"ID" smiles RemovedSalts[1] RemovedSalts[2] RemovedSalts[3] RemovedSalts[4] Num_Fragments ALogP N_Count O_Count BioAvailable_Filter yeast_model_actual_data 443939 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.Cl Cl- 1 -4.4e-002 1 11 0 -4.85734597985201 447043 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O 1 2.078 2 12 0 -9.64879912677485 439533 C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O 1 1.479 0 7 0 5.13237770553911 892 C1(C(C(C(C(C1O)O)O)O)O)O 1 -3.065 0 6 0 -1.32718714535807 5865 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C 1 1.217 0 5 0 -4.30849396540668 4507 CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C 1 2.115 2 6 0 -25.0874023043335 4497 CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC 1 2.361 2 7 0 -29.2542807831691 3394 CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O 1 3.68 0 2 1.52582424186948 3365 C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O 1 0.75 6 1 0 -3.22619779492643 3333 CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C 1 3.549 1 4 -19.7232660281065 2754 C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4 1 3.23 5 2 0 -24.9077030309801 442549 C[C@H]1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O 1 3.435 0 5 -0.549638409526195 441302 C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O 1 3.588 0 2 -11.4986259814969 197067 COC(=O)[C@@H]1[C@H](CC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl Cl- 1 2.822 2 3 -5.07157897763951 171548 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 1 0.67 2 3 0 -16.2340121105438 119607 CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N 1 2.6 2 3 -2.60615234343435 110635 CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36 1 2.183 3 4 0 -10.8306966771883 107952 CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O.Cl Cl- 1 2.577 1 3 -3.05684719566884 71478 CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.Cl Cl- 1 4.116 1 0 1.38798818304915 68546 COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC.Cl Cl- 1 1.487 5 4 0 -1.59250553410174 65464 CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl Cl- 1 3.986 3 1 -1.34274743178447 60795 C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl 1 4.998 3 2 0.22851939352525 54454 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C 1 4.634 0 5 -6.33379589102769 50599 C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC=NC3=O 1 -0.844 4 3 0 -5.46013151182522 50088 CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.Cl Cl- 1 5.265 2 1 -5.37609183399325 47936 CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O 1 0.837 0 7 0 -6.54223230407361 41781 CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C 1 2.133 4 3 0 -8.00171320001754 41114 CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.Cl Cl- 1 3.488 3 6 0 -21.3963703836615 36462 C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O 1 0.935 0 13 0 -9.22623437312844 35370 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] 1 6.4e-002 5 4 0 -10.658937400669 24066 C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N 1 -0.991 3 3 0 -4.39333510398662 22162 CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O.Cl Cl- 1 2.489 1 3 -3.12328008554412 20279 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(N=C3N)Cl)CO)O 1 -0.259 5 3 0 -4.58744962267929 18283 CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO 1 -0.515 2 4 0 -6.19221626364938 9782 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C 1 1.708 0 5 0 -2.93059387542555 6781 CCOC(=O)C1=CC=CC=C1C(=O)OCC 1 2.238 0 4 -6.08217269503202 5959 C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] 1 1.025 2 5 0 -7.51323761230935 5881 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C 1 3.338 0 2 -13.5977050319735 5833 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C 1 3.731 0 4 -16.8164140453764 5807 CC(C)NCC(C1=CC(=C(C=C1)O)O)O.Cl Cl- 1 1.099 1 3 0 4.67722749428509 5735 CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl 1 1.386 6 3 0 -1.19687858909125 5564 C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl 1 5.141 0 2 6.10023090961149 5323 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC 1 1.358 4 4 0 -12.7358211128395 5092 COC1=C(C=C(C=C1)C2CC(=O)NC2)OC3CCCC3 1 2.349 1 3 -9.92169017556257 5090 CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 1 2.871 0 4 -6.0866498734065 4891 C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2 1 2.477 2 2 -10.0228810880876 4770 C1=CC=C(C=C1)CCCOC(=O)N 1 2.172 1 2 -1.63846008833668 4585 CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C 1 2.927 4 0 -2.83026774765356 4485 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC 1 1.766 2 6 0 -19.5351071863936 4463 CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4 1 1.656 4 1 0 -7.96466605761582 4211 C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl 1 5.745 0 0 1.75857835014616 3825 CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O 1 3.361 0 3 -6.0994097969831 3793 CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl 1 6.434 8 4 0 -0.294218836369738 3718 CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O 1 2.701 1 3 -8.50149315387027 3168 C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F 1 3.049 3 2 -6.41766428254848 2797 CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl 1 2.755 0 3 0.930298913721837 2756 CC1=C(N=CN1)CSCCNC(=NC)NC#N 1 7.e-003 6 0 0 -4.27249221444033 2333 CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br 1 5.604 0 3 4.54793029684825 2249 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O 1 0.669 2 3 0 -5.4513893075189 2244 CC(=O)OC1=CC=CC=C1C(=O)O 1 1.227 0 4 0 -2.80338493828713 2206 CC1=CC(=O)N(N1C)C2=CC=CC=C2 1 1.218 2 1 0 -4.06313901126749 864 C1CSSC1CCCCC(=O)O 1 2.258 0 2 -8.18517948677309 802 C1=CC=C2C(=C1)C(=CN2)CC(=O)O 1 1.788 1 2 0 -4.16457013626678 727 C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl 1 4.163 0 0 -0.39926878642517 298 C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] 1 1.025 2 5 0 -7.51323761230935 24761687 C=CCC1C(COS(=O)(=O)N1)NC(=O)OCC(Cl)(Cl)Cl 1 1.257 2 5 0 -12.2476637150746 23702962 CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)[O-].O.[Na+] H2O Na+ 1 -0.448 3 4 0 -4.49778544701146 23672955 C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)[O-])OC(=O)C)C)O)C.[Na+] Na+ 1 3.623 0 6 -11.4499591693156 16219919 COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.Cl Cl- H2O 1 2.733 2 2 1.87647733675528 16218996 CC1CC2C3CCC4=CC(=O)C=CC4([C@]3(C(CC2(C1(C(=O)CO)O)C)O)Cl)C 1 1.972 0 5 0 -2.88050489656192 12303047 C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.Cl Cl- 1 3.727 10 0 0 -1.43265960934393 11204982 CC(C)(CC1=CC(=CC=C1)CC(C)(C)C(=O)O)C(=O)O 1 3.83 0 4 -2.54550946027365 9862218 CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl Cl- 1 0.503 3 2 0 -9.52312540773063 6603542 CN/C(=C/[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C.Cl Cl- 1 1.039 4 3 0 -5.29511823202539 6426773 CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCC3=C(C(=C(C=C3)C)O)C(=O)[O-])O.[Na+] Na+ 1 4.923 0 8 0 -4.56159848486605 6365505 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl Cl- 1 5.935 2 0 4.0435501118393 5479610 COC1=C/C(=C/NNC(=O)C2=CC=NC=C2)/C=CC1=O 1 -0.456 3 3 0 -3.53953741581915 5362123 CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O.Cl Cl- 1 0.621 2 5 0 -13.0604532202885 5312135 CN1/C(=C(/NC2=CC=CC=N2)\O)/C(=O)C3=CC=CC=C3S1(=O)=O 1 1.439 3 4 0 0.167588147377756 5282230 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC 1 2.679 1 5 -10.8869781427984 5018304 C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+] Na+ 1 2.899 1 2 -0.442072088860188 3040551 C[C@H]([C@H](C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O.Cl Cl- 1 2.655 1 3 1.3884427082392 666705 CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)CC4=CC=CC=C4 1 3.042 5 3 0 -12.4669786535318 665875 CCCCN1C(=O)C2(CC3=C(N=C4C(=CC=CN4C3=O)C)N5C2C6=CC=CC=C6CC5)C(=O)NC1=O 1 2.895 5 4 0 -16.6386606132252 665858 COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)C3=CC=CC=C3C(=O)NCC4=CC=CO4 1 3.069 3 6 0 -9.97256520273833 665317 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=CC=C5Cl 1 4.26 4 4 0 -16.7676767709515 663899 COC1=C(C=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CS5)N)OC 1 4.56 4 4 0 -17.4698698205073 663562 CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC(=O)OCC4=CC=CC=C4)C5=CC(=C(C=C5)C)C 1 4.153 5 4 0 -12.6112524437253 663056 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C(=C3)Br)O)OC)C4=NOC(=C4)C)O 1 3.131 2 7 0 -15.8918017617579 662192 CN1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N 1 4.234 4 1 -14.1672214178586 661818 CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)C(C)N3CCN(CC3)CC4=CC=CC=C4 1 3.737 4 5 0 -11.3049921977368 661563 CC1=C(C(=C(C(=N1)SCC(=O)NC2=CC=C(C=C2)OC)C#N)C3=CC=CO3)C(=O)OCCOC 1 3.179 3 6 0 -16.9099949957847 661549 CCOC(=O)C1CCN(CC1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OCC 1 3.418 3 5 0 -6.84397894341169 661461 CCC1=CC=CC=C1NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC(=C(C=C4)O)OC)C#N 1 4.163 3 4 0 -35.795391134289 661109 C1CCC2=C(C1)C(=C(S2)NC(=O)C3COC4=CC=CC=C4O3)C(=O)NC5CCS(=O)(=O)C5 1 2.273 2 6 0 -22.4251763253337 660891 CC1=C(C2=C(O1)C=CC(=C2)OC(=O)COC3=C(C(=C(C(=C3F)F)F)F)F)C(=O)OCCOC 1 4.298 0 7 0 -12.6871284158471 660767 CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC=C)CCC5=CC=CC=C5)C 1 4.609 4 2 -26.6401093194779 660758 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCCC5=CC=CC=C5 1 4.432 6 2 0 0.364382853083231 660717 C1=CC=C(C=C1)N\2C(=O)C(S/C2=C(/C#N)\C(=O)NCC3=CC=CO3)CC4=CC=C(C=C4)F 1 4.123 3 3 -10.2960211021918 660126 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3OC 1 1.919 4 5 0 -17.03026225668 659822 CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=NN=C(S1)C(F)(F)F 1 3.541 4 1 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0 -3.15184599738086 8980 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl Cl- 1 3.384 1 1 -4.3725927763235 8593 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O 1 3.593 1 2 -2.2871875407484 7127 COC1=C(C=C(C=C1)CC=C)OC 1 2.805 0 2 -5.9394641492298 6597 C(C(=O)O)(Cl)Cl 1 0.99 0 2 0 -3.02367404871211 6421 C(=O)(C(Cl)(Cl)Cl)O 1 1.473 0 2 0 -2.13683726646911 6167 CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC 1 2.044 1 6 0 -7.75692603620644 5994 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C 1 3.86 0 2 -21.3545539145321 5924 CNCC(C1=CC(=C(C=C1)O)O)O.Cl Cl- 1 0.372 1 3 0 4.8457673848454 5918 C1=CN=CC(=C1N)N 1 -0.814 3 0 0 9.94436728490426e-002 5909 CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C.Cl Cl- 1 0.965 2 2 0 -2.32322725163284 5879 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O 1 3.588 0 2 -11.4986259814969 5795 CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.Cl Cl- 1 1.775 2 2 0 -2.610974253965 5757 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O 1 3.838 0 2 -7.08373208737075 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CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC 1 2.904 3 3 6.0695607827921 4499 CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC 1 2.958 2 6 0 -24.836178264677 4449 CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl 1 4.415 5 2 0 1.43090097926327 4411 CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O 1 1.146 1 4 0 -5.94510068626074 4235 C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl 1 1.528 2 2 0 -7.37542699989072 4201 C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O 1 0.219 5 1 0 -0.652665903421211 4174 CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2 1 1.847 2 1 0 -2.86622698033856 4038 CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl.[Na+] Na+ 1 3.35 1 2 -2.47528414752195e-002 3957 CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1 1 5 2 2 0.672836703653166 3883 CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F 1 3.442 3 2 2.99083705865969 3878 C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N 1 2.426 5 0 2.09843750116326 3784 CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC 1 2.168 3 5 0 -20.600155975457 3747 CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3 1 3.576 0 3 -1.5764668388802 3730 CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I 1 -1.844 3 9 0 -8.20903326524445 3715 CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O 1 4.235 1 4 4.4785944391249 3676 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C 1 2.626 2 1 -8.00722331740074 3657 C(=O)(N)NO 1 -1.03 2 2 0 -1.88037874342051 3616 CC(=O)NCCCCCCNC(=O)C 1 0.12 2 2 0 -8.14178841544776 3598 C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl 1 7.307 0 2 4.28612739001671 3542 CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3 1 0.503 3 2 0 -9.52312540773063 3512 CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC 1 2.495 0 6 -6.40843705994425 3476 CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C 1 3.781 4 5 0 -18.6087955891329 3373 CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C 1 1.583 3 3 0 -6.4458142310128 3366 C1=NC(=O)NC(=C1F)N 1 -0.618 3 1 0 -3.10857364130074 3331 C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N 1 0.984 2 4 0 -4.14177504467276 3213 CC1=C2C(=C(C3=C1C=CN=C3)C)C4=CC=CC=C4N2 1 4.053 2 0 3.93108611954528 3121 CCCC(CCC)C(=O)O 1 2.749 0 2 -6.56522662177363 3117 CCN(CC)C(=S)SSC(=S)N(CC)CC 1 5.6 2 0 -4.1408137804493 3108 C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO 1 3.e-003 8 4 0 0.53185730991471 2955 C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N 1 1.439 2 2 0 -5.40371465974199 2812 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4 1 5.222 2 0 1.94556744981658 2796 CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl 1 3.329 0 3 -0.158797682884978 2662 CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F 1 4.428 3 2 1.58204542654438 2585 COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O 1 4.014 2 4 -0.975958063851129 2577 CCCCCCNC(=O)N1C=C(C(=O)NC1=O)F 1 1.125 3 3 0 -13.4526288871164 2554 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N 1 2.679 2 1 0.459168445962336 2519 CN1C=NC2=C1C(=O)N(C(=O)N2C)C 1 -0.1 4 2 0 -11.0592563704453 2378 C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4 1 4.637 2 0 -1.69980826809645 2345 C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2 1 3.268 0 2 -4.61599880098981 2303 CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC 1 2.673 2 4 -19.0185123982176 2196 COC1=CC=C(C=C1)C(=O)N2CCCC2=O 1 1.267 1 3 0 -9.56652836341764 2159 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC 1 1.127 3 4 0 -20.6534666987992 2153 CN1C2=C(C(=O)N(C1=O)C)NC=N2 1 -0.306 4 2 0 -8.50894517752204 2018 CC(=O)NC1=CC=C(C=C1)CC(=O)O 1 0.614 1 3 0 -7.63473658076498 1985 CC(=O)NC1=C(C=CC(=C1)[As](=O)(O)O)O 1 0.352 1 5 0 -1.49409775194572 1983 CC(=O)NC1=CC=C(C=C1)O 1 0.708 1 2 0 -1.88269388470551 1820 C1=CC2=C(C=C1F)C=C(N2)C(=O)O 1 2.25 1 2 4.65735142828633 1123 C(CS(=O)(=O)O)N 1 -1.243 1 3 0 -6.42957030546593 1066 C1=CC(=C(N=C1)C(=O)O)C(=O)O 1 0.367 1 4 0 -5.46715716706409 978 C1=CC(=CC=C1C(=O)O)N 1 0.713 1 2 0 -0.857924347455621 932 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O 1 2.373 0 5 5.34988183190225 896 CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC 1 1.555 2 2 0 -7.36090232717222 25162921 CC1([C@@H]2CC[C@@H](C2)C1(C)NC)C.Cl Cl- 1 2.183 1 0 -0.991656011659825 24856303 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O.O H2O 1 0.827 0 10 0 -10.1527496390575 24761738 CC1(CC(C2=C(O1)C=CC(=C2)C#N)NS(=O)(=O)OCC(Cl)(Cl)Cl)C 1 2.546 2 4 -8.90487538629909 24761719 CC(=O)CC1C(COS(=O)(=O)N1)CC2=CC=CC=C2 1 0.687 1 4 0 -4.40610734453556 24761702 CC(CCC1=CC=CC=C1)OS(=O)(=O)N 1 1.542 1 3 0 -3.33688776148413 23675786 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].O.[Na+] H2O Na+ 1 1.49 3 5 0 -16.6597603791986 23667302 CON=C(C1=CC=CO1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)[O-].[Na+] Na+ 1 -1.877 4 8 0 -13.0225500778119 23662354 C(CS(=O)(=O)[O-])S.[Na+] Na+ 1 -2.227 0 3 0 -5.89062247544125 23641202 CC(C)(C)OC(=O)N1CCC(CC1)(CC2CC(=NO2)C3=CC=CC=C3)C(=O)O 1 2.9 2 5 0 -7.25139080097957 23641181 CCCNC(=O)C1(CCNCC1)CC2CC(=NO2)C3=CC=CC=C3 1 1.981 3 2 0 -13.2088773721977 23641173 CC(C)(C)OC(=O)N1CCC(CC1)(CC2CC(=NO2)C3=CC=CC=C3)C(=O)OC 1 3.126 2 5 0 -8.07819169624729 23641170 CCCNC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC2CC(=NO2)C3=CC=CC=C3 1 3.351 3 4 0 -13.3410508319636 23581798 CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.O.Br Br- H2O 1 0.823 1 4 0 -7.75254352339326 16760703 CCCC(CCC)C(=O)[O-].[Na+] Na+ 1 1.275 0 2 0 -5.39001114826612 16219921 COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.Cl Cl- H2O 1 2.733 2 2 1.87647733675528 16219750 C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O.O.Cl Cl- H2O 1 2.119 1 4 4.45133606431133 16219371 CC(=O)OCC(=O)[C@@]12[C@@H](CC3C1(CC([C@]4(C3C[C@@H](C5=CC(=O)C=CC54C)F)F)O)C)OC(O2)(C)C 1 1.374 0 7 0 -2.44929658307048 16219285 CC12CCC3C(C1CC[C@]2(C#C)O)CCC4=CC5=C(CC34C)C=NO5 1 4.874 1 2 -10.9180733865148 16211935 C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O[C@@H]2C[C@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O.Cl Cl- 1 0.628 1 10 0 -6.44432707277501 11970251 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O 1 2.586 1 14 0 -20.9176049822613 11447235 C1=CC=C(C=C1)CCCOS(=O)(=O)N 1 1.165 1 3 0 -2.67705881603219 11405019 C1CCCC(CCC1)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 3.378 1 3 -6.51430508419719 9883259 CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C.Cl Cl- 1 2.14 2 2 -3.76181593546872 10140115 C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl Cl- 1 4.819 2 1 9.26728083906931 9552079 C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl 1 3.727 10 0 0 -1.43265960934393 5771451 CC1=C(C(N2C(=N1)N=C(N2)C3=CC=CC=C3OC)C4=CC=CS4)C(=O)NC5=CN=CC=C5 1 1.998 6 2 0 -17.0847327594068 5771424 C1C(N=C2C=C(NN2C1C(F)(F)F)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC6=C(C=C5)OCO6 1 2.269 4 5 0 -8.48021812150865 5771402 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC5=C(C=C4)OCO5 1 2.462 4 5 0 -7.02935277144502 5771387 CCOCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(ON=C2C)/C=C\C3=CC=C(C=C3)OC 1 1.905 3 6 0 -18.9717092284004 5742545 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O 1 2.616 1 8 0 -22.1165695264419 5742544 C1COCCN1C2=C(C=C(C=C2)Cl)N3C(=O)C4=CC=CC=C4/C(=C/NC5=NC=C(C=C5)Cl)/C3=O 1 3.821 4 3 0 -2.05483028204785 5742527 CCN\1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N/C1=C\3/C=C(C=C(C3=O)OC)Br 1 2.295 3 4 0 -8.38123547690943 5742525 COC1=CC(=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)OC 1 2.279 3 4 0 -7.31205803826578 5742496 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)/C(=C(\C)/N)/C#N 1 1.244 4 5 0 -22.8891230377163 5741692 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CNN4C3=NC(CC4C(F)(F)F)C5=CC=CO5 1 2.668 5 2 0 -0.213918564981764 5702295 C1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N.Cl Cl- 1 1.042 7 1 0 -4.64639284505576 5702160 C1=C(N=C(S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N 1 -1.974 7 2 0 -3.10567779699198 5697333 CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N 1 3.401 7 2 0 -21.5546491958349 5682822 CCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N 1 4.934 6 2 0 -18.9866152476183 6915727 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H](C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C 1 3.055 1 14 0 -21.242581536622 6852399 CN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)O)O.O.Cl Cl- H2O 1 3.116 1 2 4.02243290816942 6603219 C1CC[C@H]([C@@H](C1)N2CCC(CC2)C3=CC=CC=C3)O.Cl Cl- 1 3.412 1 1 7.37118189279645 6602612 CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=O)/C(=C(\N)/O)/C1=O)O)O)O)Cl)O.Cl Cl- 1 -0.127 2 8 0 -3.91679589324826 6420013 COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC.Cl Cl- 1 2.557 1 4 -3.84304821898758 6324554 CCOC1=CC=C(C=C1)N(CC(=O)NC2CCCC2)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 0.694 4 6 0 -26.3000814686667 4301104 C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NN=C(O3)CNC(=O)C4=CC=CC=C4F 1 3.401 4 3 0 -21.0517609091137 4220569 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.393 4 4 0 -22.5827130642155 5462351 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC.O.Br Br- H2O 1 3.674 1 1 0.139689167421324 5390075 CCN1CCCC1CN/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4 1 2.849 3 2 -13.6647790163756 5390012 C1CCC2=C(C1)C(=C(S2)N3C(=O)[C@@H]4[C@@H](N[C@]5([C@@H]4C3=O)C6=CC=CC=C6NC5=O)CCC(=O)O)C#N 1 -0.855 4 5 0 -15.6867742710171 5389993 COC1=CC=C(C=C1)C2C\3=C(C(=O)N2CCC4=CC(=C(C=C4)OC)OC)NN/C3=C/5\C=CC=CC5=O 1 2.425 3 5 0 -13.5221045606469 5389854 CN1C2=CC=CC=C2C3(C1=O)/C(=C(/C4=CC(=CC=C4)S(=O)(=O)N(C)C)\O)/C(=O)C(=O)N3CCOC 1 0.444 3 7 0 -8.67977479099556 5389749 COCCCN1C(=O)C(=O)/C(=C(\C2=CC3=C(C=C2)OCCO3)/O)/C14C5=CC=CC=C5N(C4=O)CC=C 1 1.792 2 7 0 -11.7361635683034 5389386 CC1=CC(=NO1)N2C(/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C2=O)C4=CC=CC=C4OC 1 3.058 2 6 0 -9.40531852855114 5389330 COC1=CC=C/C(=C\2/NC3=CC=CC=C3C(=N2)N4CCN(CC4)CC5=CC=CC=C5)/C1=O 1 3.43 4 2 -1.86592043826594 5389305 CC1=C(C=NN1C2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CCN(C)C)C4=C(C(=CC=C4)OC)OC)/O 1 2.854 4 5 0 -9.64172508317486 5389299 CC1=C(C=NN1C2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CCN4CCOCC4)C5=CN=CC=C5)/O 1 1.424 5 4 0 -8.71521990775659 5389276 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=NC(=O)CC(N3N2)C4=CC=CC=C4 1 1.274 6 4 0 -9.09169329147882 5389243 CC1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)OC(C)C)/O)/C(=O)C(=O)N2CCN4CCOCC4 1 3.398 2 5 0 -10.7302943103904 5389230 CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)OC(C)C)\O)/C(=O)C1=O)C3=CC=NC=C3 1 2.771 3 4 0 -7.87285418713436 5389137 CCN(CC)C1=CC=C(C=C1)N/C=C/2\C(=O)NC(=O)N(C2=O)C3=C(C=CC(=C3)OC)OC 1 2.815 4 5 0 -9.4517428676153 5388988 C1[C@H]2CC([C@@H]1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl 1 1.228 3 4 0 -4.97846139425642 5388987 CC1=CN=C(S1)N/C(=C/2\C(=O)C3=CC=CC=C3S(=O)(=O)N2C)/O 1 0.72 3 4 0 -0.311500817231831 5388957 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+] Na+ 1 -0.541 0 8 0 -5.64944760190728 5368397 CC1=C(C(CC(C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)C(CC2(C)C)O)C)\C)\C)/C)/C 1 8.421 0 4 3.11632317607076 5362129 CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O 1 0.308 2 5 0 -11.3310838972612 5353788 CCO/C(=N/C1=C[N+](=NO1)N2CCOCC2)/[O-] 1 0.295 4 4 0 -5.50637856280838 5329098 CC1=CC(=C(N1)/C=C\2/C3=CC=CC=C3NC2=O)C 1 2.747 2 1 -4.9571925587183 5323583 CC\1=C(NC(=C(/C1=C/2\C=CC(=C(C2=O)OC)OC)N)C3=NC4=C(C=C3)C(=O)C(=C(C4=O)N)OC)C(=O)O 1 -1.28 4 8 0 -5.63606943580925 5310797 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CNN4C3=NC(CC4C(F)(F)F)C5=CC=CO5 1 0.838 6 3 0 -19.1579102487073 5309922 CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)N4CCN(CC4)C5CCCCC5 1 4.031 4 2 0.693081628921536 5309913 CCN1C2=C(C=C1C(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5)SC=C2 1 3.241 5 2 0 -4.79358516410839 5309860 C1CCC(C1)N2CC(CC2=O)C(=O)NCCCN3CCC(CC3)CC4=CC=CC=C4 1 2.993 3 2 -12.4937195453179 5309818 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)(=O)CC(=O)N3CCC4=CC=CC=C4C3 1 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-15.4585896028619 659126 C1COCCN1CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC6=C(C=C5)OCO6)N 1 2.178 6 4 0 -15.8137599660313 659094 CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C2=NC(=O)C3=C(N2)C(=NN3C)C(C)(C)C 1 2.713 5 4 0 -14.7318297747227 658966 CC1CN=C(S1)NC2=C(C=CC(=C2)Cl)OC 1 3.256 2 1 -4.00904378620346 658950 CN1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC=CC=C5)C6=CC=CC=C6 1 4.935 5 1 -20.2921519784662 658947 COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)OC)SC5=C3CCCCC5 1 4.655 4 4 0 -27.676959867277 658938 CC1=C(C(=CC=C1)NC(=O)C2=C(NC(=O)NC2C3=CC(=C(C(=C3)OC)OC)OC)C)C 1 2.917 3 5 0 -31.2505168536526 658931 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)F 1 3.559 4 5 0 -13.2612690919052 658921 C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C5=CC=C(O5)Br 1 4.749 5 2 0 -12.4714217221949 658920 CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)Cl)C)C 1 4.008 4 3 0 -22.3076021822419 658899 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)F)N5CCCC5)F)C(=O)O 1 2.86 4 4 0 -12.2155840326738 658881 CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCCN4CCN(CC4)C 1 2.185 5 1 0.370241338416124 658879 CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=CC(=C(C(=C1)OC)OC)OC 1 3.669 2 4 -10.7642157782548 658802 CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NCC4CCCO4)CC5=CC=CC=C5 1 3.303 5 3 0 -17.4115075713002 658792 C1CC2=C3C(=C4C(=C2)C(=C(C(=O)O4)CCN5CCOCC5)C(F)(F)F)CCCN3C1 1 4.068 2 3 -6.68521837260514 658782 CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=N4)N(C(=O)N(C2=O)CC5=CC=C(C=C5)Cl)C 1 3.249 7 2 0 0.778023837905178 658723 COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCN(CC3)C4CCCCC4 1 3.96 4 3 0 -2.04897872789675 658741 CC1=C(C(C(=C(N1)SCC(=O)NC(C)C)C#N)C2=CC=NC=C2)C(=O)NC3=CC=CC=C3 1 2.169 5 2 0 -38.5565745194029 658658 CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3 1 4.173 2 6 0 -14.8776092304676 658616 CN1C(=O)N(C2(C1(NN3C(=O)C(=CC4=CC=CO4)SC3=N2)C5=CC=CC=C5)C6=CC=CC=C6)C 1 4.072 5 3 0 -6.28613067742689 658540 CCN1CCC2=C(C(=NC(=C2C1)NCC3=CC=CC=C3)N4CCCCC4)C#N 1 3.985 5 0 -8.17833028533815 658536 CC1=CC(=NC(=N1)N2CCN(CC2)C3=NC=NC4=C3C=NN4CC5=C(C=C(C=C5)Cl)Cl)C 1 3.41 8 0 0 3.93859700311494 658464 COC1=C(C=C2C(=C1)C(=CC(=C2CC(=O)NC3=CC=CC=C3)O)N4CCOCC4)OC 1 3.133 2 5 0 -6.40624616915585 658367 CCCCCOC(=O)CSC1=NN=C(O1)C2=CC(=C(C(=C2)OC)OC)OC 1 3.655 2 6 0 -16.0076257767944 658360 C1=CC=C2C(=C1)N=C(O2)SCC3=CN4C=C(C=CC4=N3)Cl 1 3.642 3 1 -0.995836625953904 658325 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NCCC4=CC=CC=C4 1 3.313 4 2 -3.44615201610706 658267 CCCC1=C2CCCCC2=C(C(=N1)N3CCCC3)C#N 1 4.019 3 0 -6.32717460475986 658230 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC3CCCO3)CC4=CC(=CC=C4)OC 1 2.351 4 5 0 -19.7639531895553 658221 CCN(CC)C(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=CS3)C4=CC=CS4)N 1 4.768 3 1 -10.0120032396627 658165 CC1(CC(=O)C(=CNCCN2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C1)C 1 2.08 3 3 -12.7877271858563 658159 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NN=C(S3)C 1 2.006 3 4 0 -10.8536749976322 658128 CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)CSC3=C(C=CC(=N3)C4=CC=NC=C4)C#N 1 2.718 6 3 0 -14.7524778136704 658118 CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCSC3=NC4=CC=CC=C4O3 1 2.999 5 3 0 -8.99193562358117 658112 CC1=C(C(C(=C(N1)SCC#N)C#N)C2=CC=CS2)C(=O)NC3=CC=CC=C3 1 3.007 4 1 -31.7357763295747 658102 CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5CCCCC5 1 4.846 4 3 0 -29.9903421942149 658095 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3)CC4=CC(=CC=C4)OC 1 3.569 4 4 0 -13.0942909655225 658086 CC1(CC2=C3C(=C(SC3=NC(=C2CO1)N4CCOCC4)C5=CC=C(O5)C(=O)OC)N)C 1 3.195 3 5 0 -12.0544728114653 658083 COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.584 3 7 0 -18.922673652408 658035 CC1=CSC(=N1)NC(=O)CSC2=C(C(=NS2)SCC(=O)NC3=NC(=CS3)C)C#N 1 2.3 6 2 0 -15.3667823577191 658003 C1CCC2(C1)C(C(=O)NC(=C2C#N)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N 1 2.892 3 4 0 -21.0504987405049 657999 CC1CN=C(S1)N(C2=CC=C(C=C2)C)C(=O)NC3=CC=CC=C3 1 4.657 3 1 -6.91174091230695 657981 CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=NC4=C(CN(CC4)C)C=C3C#N 1 3.363 5 3 0 -20.1877549129881 657915 CC(C)CCSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C 1 4.262 4 2 -13.2743065673081 657894 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)F 1 2.918 5 4 0 -17.3201834134977 657885 CN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C 1 1.919 5 3 0 -3.1103054729778 657877 CN1C2=C(N=C1NCC(C3=CC=CC=C3)O)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C 1 3.098 5 3 0 -4.41127680738385 657869 CN1C2=C(N=C1OCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC(=CC=C5)Cl)C 1 4.024 4 5 0 -4.18153269245636 657857 CC1CN=C(S1)N(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C 1 4.657 3 1 -7.25728686228139 657845 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC=C)CC3=C(C=CC=C3Cl)Cl 1 3.954 4 3 0 -17.5605071147166 657843 CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC=CC=C2Cl)O 1 1.868 2 4 0 -9.47592022385941 657807 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5F 1 2.918 5 4 0 -19.2371595333898 657806 CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C 1 3.693 5 2 0 -8.07113710311583 657771 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC4=C(C=C(C=C4)Cl)Cl 1 3.455 5 3 0 -15.4222844950431 657766 CN1C2=C(N=C1NCC(C3=CC=CC=C3)O)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C 1 3.763 5 3 0 -4.67355056435423 657745 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5Cl 1 3.377 5 4 0 -18.393665304717 657691 CCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C(=CC=C3)OC)OC 1 1.275 5 2 0 -0.886058150411243 657674 CCOC(=O)N(CC1=CC=CC=C1)C(C(C(=O)O)N(CC2=CC=CC=C2)C(=O)OCC)C(=O)O 1 3.362 2 8 0 -6.54361726798918 657663 C1CN(CC2=C(N=C(C(=C21)C#N)NCCCO)NCC3=CC=CC=C3)CC4=CC=CC=C4 1 3.619 5 1 -3.41075389433318 657598 CC1=CC=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(C)C 1 2.171 5 0 1.28342831615699 657534 CCCCNC(=O)N1CCOCCOCCN(CCOCCOCC1)C(=O)NCCCC 1 0.922 4 6 0 -13.7029343624329 657381 C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[N+](=O)([O-])[O-] NO3 1 0.366 1 3 0 -8.27169068171498 657375 CCSC([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)SCC 1 -0.276 0 5 0 -3.11381078627627 657306 CC[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-] Br- 1 2.236 1 3 -8.92194000370292 657302 C1=CC=C(C=C1)C2(C(=O)[N-]C(=O)N2)C3=CC=CC=C3.[Na+] Na+ 1 2.208 2 2 -0.26477083559812 657264 C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-] Br- 1 1.128 2 0 0 -3.26518062259517 657255 CCCCCCCCN[C@H](C)[C@H](C1=CC=C(C=C1)SC(C)C)O 1 5.656 1 1 -1.85376589609816 657220 CC/C(=C(/CC)\C1=CC=C(C=C1)OC(=O)CC)/C2=CC=C(C=C2)OC(=O)CC 1 6.49 0 4 -6.12972398499523 657218 CC(C)C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=C(C=C2)O)N 1 -0.298 5 5 0 -18.9719807578752 657201 CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C.[Br-] Br- 1 2.249 1 2 -9.80124720084663 656657 C[N+](C)(C)C[C@@H](CC(=O)O)O.[Cl-] Cl- 1 -1.816 1 3 0 -8.32247915545229 656655 C([C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O)Br 1 -0.242 0 4 0 -0.198340383658815 656383 CC1=CC2=C(C=CC(=C2)OC)N3C1=NN=C3SCC(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 3.037 5 4 0 -14.3436228318487 656378 CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NN=C(O2)C3=CC=C(C=C3)OC 1 3.981 3 3 -5.33472963522222 656377 CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N(CC(=O)NC3CCCC3)C4=CC=C(C=C4)OC 1 3.279 6 3 0 -9.50420911476095 656372 CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2=C(SN=C2SC)SC 1 2.843 3 3 -14.5199028074287 656360 CC1=CC(=NO1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3 1 4.16 4 2 -17.12785765034 656356 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCC4=CC=CC=C43)CC5=CC=CC=C5 1 3.484 5 3 0 -28.5376714879801 656349 COCCCN1C(=NN=C1SCC(=O)OC)CC2=CSC(=N2)NC3=CC(=CC=C3)Cl 1 3.084 5 3 0 -15.74606523518 656345 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCC(CC3)C(=O)NCC4=CC5=C(C=C4)OCO5 1 2.602 3 5 0 -18.2532816735431 656341 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC(=CC=C2)OC)CC(=O)NCC3CCCO3 1 0.704 4 6 0 -33.6531991209644 656340 C1CC(CN(C1)C(=O)CC2=CC=CS2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=C(C=C5)F 1 2.551 6 2 0 -8.7685180363519 656331 CCOC1=CC(=C(C=C1N2C=NN=N2)OCC)S(=O)(=O)NCC3C4=CC=CC=C4CCO3 1 1.848 5 5 0 -25.1695460288297 656329 C1CCC(CC1)NC(=O)CN(C2=CC(=C(C=C2)Cl)Cl)C(=O)CNC(=O)C3=CC=CO3 1 3.522 3 4 0 -16.5930882954154 656328 C1CCC(C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N 1 1.045 5 5 0 -15.7935379771264 656319 CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CNC3=CC=C(C=C3)C 1 3.547 5 1 -21.0292775651821 656318 C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CO5 1 1.658 4 4 0 -22.9236021824304 656301 COC1=CC=C(C=C1)CN2C(=NN=N2)C(C3=CC=CC=C3OC)N4CCC(CC4)C(=O)N 1 2.151 6 3 0 -18.8744854706745 656299 CCN1CCC(CC1)(C(=O)NC2CCCC2)N(CC3=CC=CS3)C(=O)CN4C5=CC=CC=C5N=N4 1 3.221 6 2 0 -23.0936753721135 656285 C1COCCN1S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4 1 0.897 2 7 0 -17.5825338262437 656270 CC1=CC=C(C=C1)NC(=O)N2CCC(CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl 1 3.282 7 2 0 -3.35031274482199 656260 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)N(CC3=CC=CS3)C4CC4 1 3.445 2 3 -14.4471902951796 656258 CC1=CC=C(C=C1)CN(CC2=CC3=C(C=CC(=C3)OC)NC2=O)CC4=NN=NN4CC5CCCO5 1 2.785 6 3 0 -23.291463764816 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1 4 -11.898884825388 107750 CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN(C)C)C=C1.Cl Cl- 1 3.452 3 3 -8.03941513422322 107645 C[C@H]1CCC[C@H](CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O)O 1 3.621 0 5 9.42602039180499e-002 105078 CCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2 1 2.805 2 2 -0.852935350703034 104871 C[N+]1(CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[I-] I- 1 1.474 1 6 0 -7.35452467409433 104845 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C 1 2.662 0 3 -10.0056466678002 104762 C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N 1 -2.409 3 6 0 -13.0583647648836 102428 CC1CC(CC(N1C)(C)C)OC(=O)C(C2=CC=CC=C2)O.Cl Cl- 1 2.138 1 3 -8.39665698427059 101498 C1=C(C=NC(=O)N1)F 1 -0.398 2 1 0 -2.55449987024362 99236 C1=CC=NC(=C1)N=C=S 1 1.977 2 0 0 2.72704391715272 98152 C1CNCCC1(CC2=CC=CC=C2)O 1 0.977 1 1 0 1.24746762577253 97508 CC(=O)NC(CC(=O)O)C(=O)O 1 -1.28 1 5 0 -15.2871570687561 95778 C1=CC=C(C=C1)C2=NC(=NN2)N 1 1.289 4 0 0 2.80599244663603 95139 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CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C 1 2.69 0 3 -14.2675655068239 92722 C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C 1 1.266 6 5 0 -22.6957786292485 92142 C1CC(=O)NC(=O)[C@H]1N2C(=O)C3=CC=CC=C3C2=O 1 9.7e-002 2 4 0 -10.4111877616235 91610 CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4)C 1 4.214 3 6 0 -9.57609787888909 91505 CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl Cl- 1 4.646 1 3 -5.80003161568088 91474 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C 1 6.585 0 2 -31.2808243896937 91430 CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O.CS(=O)(=O)O CS(=O)(=O)O 1 2.969 3 1 -2.51057232146749 90473 C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O.[Cl-] Cl- 1 -4.254 6 5 0 -16.9669127859924 111488 CC1=CC(=O)N(C(=C1C#N)O)CCC2=CC=CC=C2 1 2.511 2 2 -1.61233915321227 89105 C1CN1C2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-] 1 0.601 4 5 0 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C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3 1 2.615 0 4 4.47528773435241 68014 C1=CC(=C(C=C1CC(=O)O)F)O 1 1.458 0 3 0 0.404215032581378 67473 C1=CC2=C(C3=C(C=C2)N=CC=C3)N=C1 1 2.202 2 0 2.02555289854457 66759 CC1=CC=CC=C1NCCNC2=CC=CC=C2C 1 4.068 2 0 -2.01572116573451 66722 C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCO)O 1 1.165 1 3 0 -2.23459585300078 66644 C1=CC=C(C(=C1)C(=O)NO)O 1 0.602 1 3 0 1.00987564271265 66448 CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl Cl- 1 3.45 1 3 -5.32225911030556 66440 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O 1 4.062 0 5 -19.0603791579652 66419 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=O)C4=C3C=CC(=C4)O 1 2.846 0 3 -8.78241184067575 66414 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O 1 3.821 0 3 -8.48828442893837 66377 CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O 1 -0.782 2 5 0 -10.3694505986271 66070 CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C.Cl Cl- 1 2.981 2 1 -6.0072618996484 66069 CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F.Cl Cl- 1 5.017 2 0 9.40431771685959 66068 CCN(CC)CCNC(=O)C1=CC=C(C=C1)N.Cl Cl- 1 1.127 3 1 0 -6.45490587519868 66063 CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 3.356 1 1 -2.7363975772496 66062 CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC.Cl Cl- 1 5.563 2 0 7.23606469783162 66061 CN1CCCN=C1COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.Cl Cl- 1 2.626 2 3 -5.8642089173121 66007 C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O.Cl Cl- 1 4.417 1 1 0.11242489352741 65999 CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6N5C)C 1 7.799 4 2 -2.20209220364922 65981 CCOC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O 1 5.307 2 4 -12.232418195022 65957 C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2C4(CC4)N)F)C(=O)O 1 -1.486 2 4 0 -5.75076158078975 65784 CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O 1 -1.434 1 4 0 -5.83839658465919 65758 C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=NC=C3)Cl 1 2.659 3 1 8.09333194939178 65681 CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2C)C 1 1.091 4 2 0 -15.2318386310128 65664 C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C 1 1.845 0 8 0 -17.1384931832259 65599 CC(=O)CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C 1 0.507 4 3 0 -20.2399236137815 65551 CC(=O)OCC[N+](C)(C)C.[Br-] Br- 1 -1.195 1 2 0 -6.58523142127448 65495 C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-] NO3 1 5.725 2 0 4.40386876572828 65340 C1=CC(=C(C=C1CCN)O)O.Cl Cl- 1 0.773 1 2 0 5.38705459481327 65329 C1CCN[C@H](C1)[C@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.Cl Cl- 1 4.302 2 1 -1.01996606110237 65064 C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O 1 3.097 0 11 0 0.333255161551799 65057 C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3 1 3.301 0 1 0.57739794081221 64984 C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.826 1 4 -12.3927775332767 64961 C1=CC=C2C(=C1)C3=C(N2)C=NC=C3 1 2.172 2 0 4.09815773910203 64945 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O 1 6.492 0 3 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CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl Cl- 1 3.093 2 4 -4.96226183034916 62884 CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl Cl- 1 3.119 1 1 -2.16155032041299 62857 CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl Cl- 1 4.033 1 1 3.06112239073133 62389 C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3 1 1.221 5 0 0 -2.1778476619035 60961 C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 1 -1.881 5 4 0 -12.3597952242505 60857 CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3 1 2.457 3 2 -1.1912950335065 60846 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O 1 4.538 5 3 0 -9.60167535243954 60839 CCC1=CC(=CC=C1)N(C)C(=NC2=CC=CC3=CC=CC=C32)N.Cl Cl- 1 4.634 3 0 3.83525317913116 60835 CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32 1 3.846 1 1 0.922462577011612 60825 C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N 1 -0.59 3 3 0 -5.85273493774111 60560 CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3.Cl Cl- 1 3.907 2 3 -6.20831281874322 60510 CC(CC1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)CN.Cl Cl- 1 2.134 2 1 -5.03098138908014 60490 CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O 1 2.184 2 2 1.77810833373029 60198 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C 1 3.606 0 2 -6.16979347689851 58258 CN1CCN(CC1)C2=C(C=C3C4=C2SCCN4C=C(C3=O)C(=O)O)F 1 -1.193 3 3 0 -2.00828736460304 57004 C(CC(C(F)F)(C(=O)O)N)CN.Cl Cl- 1 -3.221 2 2 0 -3.19511151551318 56704 CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2.Cl Cl- 1 1.766 2 4 0 -8.85810449451589 55651 CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl.CS(=O)(=O)O CS(=O)(=O)O 1 4.003 2 2 -0.924085744244802 55245 CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O 1 5.655 1 2 -14.0850215228471 54911 CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl.Cl Cl- 1 4.415 5 2 0 1.43090097926327 54840 CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2.Cl Cl- 1 3.577 1 1 -1.81380716717245 53277 CC1C(OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C(C=C(C5=C(C6=C(C=C54)OC(C(C6=O)C)C)O)O)O)O)C 1 4.708 0 10 0 1.43134197005842 53232 CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C 1 4.218 0 5 -8.35171390652525 51039 C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl 1 -2.333 3 4 0 -12.3955581527172 49381 CN1CCN(CC1)C2=NC3=C(CC4=CC=CC=C42)C=CC(=C3)F 1 3.388 3 0 6.15952360226532 47812 CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O CS(=O)(=O)O 1 4.11 2 0 -2.12104261006448 47528 C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-] 1 1.758 3 4 0 -10.4048702162426 44383 COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC.Cl Cl- 1 0.76 5 4 0 -13.0163751185557 43345 CCC(C)(C)N=C(NC#N)NC1=CN=CC=C1 1 1.443 5 0 0 -4.00648055220704 42574 CC1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2O)I)I)Cl)C(C#N)C3=CC=C(C=C3)Cl 1 6.752 2 2 8.3218212812599 41774 C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO 1 -6.839 1 18 0 -11.7761327881745 41684 CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-] 1 1.398 3 5 0 -3.02432807962322 40326 CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C 1 5.438 0 3 -1.66427637405234 39147 CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O 1 1.146 1 4 0 -5.94510068626074 39042 CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl 1 3.868 1 4 -5.68447645863667 38945 CC1=C(C(=CC=C1)C)NC(=O)C(C)N 1 1.445 2 1 0 -7.43882963752705 38072 C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)O 1 2.641 1 3 -4.86085047814912 36708 CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O.Cl Cl- 1 3.673 1 3 -8.11931444983745 36431 C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4.Cl Cl- 1 1.401 5 2 0 2.65786752142333 36339 CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2 1 2.379 2 2 -6.04936880905366 36302 C1CN(CC1C2=CC=CC=C2)CCC(=O)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 3.422 1 3 2.53391236535644 36273 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)O)C 1 1.186 3 3 0 -5.98924030939508 35802 COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F 1 3.26 3 3 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6.117 1 0 -3.03497165535523 30627 COC1=CC(=CC(=C1OC)OC)C(=O)NCCCCCC(=O)O 1 1.952 1 6 0 -18.7144971072884 29872 C1=CC2=C(C(=C1)Cl)N=C(S2)N 1 2.373 2 0 3.07751777030601 28767 CN(CCCOC1=C(C=C(C=C1)Cl)Cl)CC#C.Cl Cl- 1 4.535 1 1 0.547736881945718 28693 CN1C[C@@H](C[C@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5 1 4.249 3 2 -3.84298178863982 28417 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5 1 4.874 1 2 -10.9180733865148 26964 C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O.Cl Cl- 1 -1.627 3 5 0 -0.501186577413234 26133 CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO 1 2.785 0 6 -15.5366304702361 25075 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O 1 -0.415 0 14 0 -13.8801969698904 25050 C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=N.Cl Cl- 1 -1.131 3 4 0 -11.7049282306093 24239 C1=CC2=C(C=C1[N+](=O)[O-])NN=C2 1 1.368 3 2 0 -0.556792853799506 23702 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C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O 1 -2.514 0 6 0 -8.04321032860005 17683 CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC.Cl Cl- 1 5.048 1 5 -6.9147965523972 16623 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)O)O)C)O 1 1.507 0 8 0 -20.7057748897091 16490 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F 1 1.546 0 5 0 -0.831398279398906 16362 C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F 1 5.521 3 1 -1.72415541358856 16231 C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N 1 -0.748 7 1 0 -3.22199474296681 16230 C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.Cl Cl- 1 -0.748 7 1 0 -3.22199474296681 15782 CCC(=O)C1=CC(=C(C=C1)O)OC 1 1.978 0 3 0 -2.95425575605023 15723 C1CNCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 2.846 1 1 -5.11362840350392 15718 CC(C)(C)C1=CC=C(C=C1)OCC(=O)O 1 2.695 0 3 -2.37644131831245 15284 CC(=C)C(=O)OCC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(COC(=O)C(=C)C)O)O 1 5.175 0 8 0 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-15.2886124159019 12132 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2 1 3.305 2 0 -6.5558517042476e-002 12124 CC(=O)NC1=CC(=CC=C1)O 1 0.708 1 2 0 -1.23080516136302 12035 CC(=O)N[C@@H](CS)C(=O)O 1 -0.578 1 3 0 -11.6506384835304 11972 CC(=O)NC1=CC=CC=C1O 1 0.708 1 2 0 -0.960441805630012 11548 CC(C[N+](C)(C)C)OC(=O)N.[Cl-] Cl- 1 -1.028 2 2 0 -5.44404103729205 11368 CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl Cl- 1 3.002 1 3 -0.140906628309647 11079 C1CN=C(N1)CC2=CC=CC3=CC=CC=C32.Cl Cl- 1 2.06 2 0 -2.78038894181421 10935 C1=CC(=O)NC1=O 1 -0.395 1 2 0 -5.25240636194991 10917 C[N+](C)(C)C[C@@H](CC(=O)[O-])O 1 -3.29 1 3 0 -6.6528737933902 10748 COC1=CC2=C(C=C1)C=CC(=O)O2 1 1.883 0 3 0 -3.13523373843213 10718 C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)O)O 1 2.002 1 4 -4.46708996020099 10631 C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C 1 3.376 0 3 -12.1345988306938 10393 C1=CC(=CC=C1CCO)O 1 1.304 0 2 0 4.60627686334281 10228 CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C 1 3.74 0 3 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C1=CC(=CN=C1)CO 1 7.4e-002 1 1 0 -0.741035949636325 7444 CC1=C(C=C(C=C1)[N+](=O)[O-])N 1 1.464 2 2 0 0.257431868387257 7419 C1=CC(=CC(=C1)N)C(=O)O 1 0.713 1 2 0 -1.78622798986826 7405 C1CC(=O)N[C@@H]1C(=O)O 1 -0.754 1 3 0 -11.8621519992741 7389 C1=CC(=CC=C1N)[As](=O)(O)O 1 0.727 1 3 0 1.46505121473217 7340 CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C 1 4.425 3 0 10.059888549113 7204 CC1=C(C=CC(=C1)Cl)OCC(=O)O 1 2.445 0 3 -1.11990058486301 7184 CCCCOC(=O)C1=CC=C(C=C1)O 1 2.772 0 3 -3.47298459746017 7172 CNCC(C1=CC=C(C=C1)O)O 1 0.615 1 2 0 1.99481266371908 7108 C1=CC=C2C(=C1)NC3=CC=CC=C3S2 1 3.668 1 0 -0.385898060053938 7107 C1C2=CC=CC=C2OC3=CC=CC=C31 1 3.534 0 1 0.328805608221895 7064 C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N 1 1.114 5 0 0 3.89455226869623 6883 C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-] 1 3.413 2 8 0 -3.32291481468036 6782 CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C 1 3.924 0 4 -8.01910895304553 6763 C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O 1 2.808 0 2 0.831395905408159 6741 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O 1 1.512 0 5 0 -1.14557224090019 6736 CC1=CNC2=CC=CC=C12 1 2.609 1 0 1.77919691396808 6674 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C 1 2.784 0 5 -19.0377513448723 6466 C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O 1 0.442 0 6 0 -2.26245331218125 6436 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O 1 1.157 0 6 0 -2.0196531028587 6291 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC 1 5.112 0 2 -5.47579768877828 6284 CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C.[I-] I- 1 2.785 2 1 -3.56945230674164 6279 C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C 1 3.755 0 4 -13.3077194705804 6256 C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O 1 -0.782 2 5 0 -7.67658416882686 6253 C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O 1 -2.396 3 5 0 -11.8996307849505 6252 C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O.Cl Cl- 1 -2.396 3 5 0 -11.8996307849505 6251 C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O 1 -2.941 0 6 0 -1.82781992941389 6249 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C 1 -2.297 3 4 0 -10.9479746821586 6240 CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl Cl- 1 4.739 2 0 7.70872476033726 6238 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O 1 3.124 0 3 -15.1438094906584 6234 C1[C@H](C(=O)NO1)N 1 -1.788 2 2 0 -5.13956845533101 6230 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 1 4.315 0 2 -8.02744707132499 6215 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O 1 0.995 0 6 0 7.95424931679399e-002 6202 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] Cl- Cl- 1 1.048 4 1 0 0.8355021217836 6166 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C 1 3.188 0 3 -18.5611777618557 6128 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C 1 3.573 0 2 -14.1634167199968 6114 CC(C[N+](C)(C)C)OC(=O)C.[Cl-] Cl- 1 -0.818 1 2 0 -4.42514672595666 6084 COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl Cl- 1 3.503 1 4 -6.06749695844114 6081 CC(C(C1=C(C=CC(=C1)OC)OC)O)N.Cl Cl- 1 0.769 1 3 0 -3.15050524840055 6037 C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N 1 -0.232 7 6 0 -24.263948126041 6036 C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)O 1 -2.514 0 6 0 -8.04321032860005 6035 C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)O 1 -1.232 2 5 0 -8.70711258290905 6019 CC1=NC=C(C(=C1O)CO)CO.Cl Cl- 1 -0.49 1 3 0 -1.5436863975736 6014 CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl Cl- 1 4.39 2 0 5.219782038716 6013 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C 1 3.473 0 2 -18.4603762524525 6010 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C 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C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F 1 5.545 3 1 -4.04985736367351 3374 CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O 1 2.27 1 3 -5.60864011260209 3371 C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F 1 3.952 1 2 4.49987003422561 3339 CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl 1 5.111 0 4 -2.76035179652344 3335 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)O 1 2.933 0 3 -1.28311791277493 3324 CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C 1 -0.294 5 4 0 -7.56139978199044 3308 CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O 1 3.723 1 3 -4.60899378273239 3295 CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N 1 1.493 2 3 0 -3.72747517033479 3269 CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O 1 2.871 0 3 -1.59102782428555 3259 C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I 1 6.049 0 5 1.91441393871765 3242 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC)OC 1 1.994 4 2 0 -4.82058014493944 3220 CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O 1 2.568 0 5 5.3688093147441 3194 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2 1 3.227 1 1 -1.0174444696089 3182 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O 1 -1.151 4 4 0 -13.7381245744309 3177 CS(=O)(=O)C1=CC=C(C=C1)C2=C(SC(=C2)Br)C3=CC=C(C=C3)F 1 5.119 0 2 -1.03066806733466 3169 C1CN(CCN1CC(CO)O)C2=CC=CC=C2 1 0.899 2 2 0 0.385924284893937 3151 C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O 1 2.453 5 2 0 -2.59380529223269 3059 C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O 1 3.147 0 3 8.85095178811899 3037 C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O 1 4.649 0 2 6.89108652873055 3035 C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl 1 5.929 0 0 2.65561090421907 3025 CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC 1 3.912 3 2 -9.88503288394606 3019 CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl 1 1.196 2 2 0 -2.82094100892549 2972 CC1=C(C(=O)C=CN1C)O 1 -0.139 1 2 0 -2.60918308892887 2818 CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl 1 3.476 4 0 0.406611862739686 2804 CC1CCCC(N1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C 1 1.793 3 3 0 -12.4444892374561 2794 CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl 1 7.137 4 0 1.246725470392 2762 CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3 1 1.573 2 5 0 -0.821230549984609 2727 CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl 1 2.058 2 3 -8.60310502894802 2712 CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O 1 2.294 3 1 0.840708252873242 2708 C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl 1 3.899 1 2 -12.6099882479889 2690 C1=COC(=C1)C2=NN3C(=N2)C4=C(C=CC(=C4)Cl)N=C3N 1 2.788 5 1 7.34108131200469 2576 CCCC(C)(COC(=O)N)COC(=O)NC(C)C 1 2.199 2 4 -11.7270818649839 2568 C1CC(C1)(C(=O)O)C(=O)O 1 0.57 0 4 0 -2.41640158639357 2471 CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 1 2.862 2 5 0 -9.07553655625997 2466 CCCCOC1=CC=C(C=C1)CC(=O)NO 1 2.191 1 3 -3.75951502837356 2435 C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br 1 1.237 5 0 0 -3.73596882326627 2375 CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O 1 2.926 2 4 -11.4989913156966 2337 CCOC(=O)C1=CC=C(C=C1)N 1 1.287 1 2 0 -3.31500353927262 2318 CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2 1 4.512 1 2 -6.61115993529131e-002 2315 C1=CC=C(C=C1)CC2NC3=C(C=C(C(=C3)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N2 1 1.861 3 4 0 -5.46395647585914 2266 C(CCCC(=O)O)CCCC(=O)O 1 1.921 0 4 0 -7.41409986549535 2256 CCNC1=NC(=NC(=N1)Cl)NC(C)C 1 1.59 5 0 0 -7.34103304841788 2247 COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F 1 5.217 4 1 1.84946981074782 2202 C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O 1 2.894 0 3 4.69480391591371 2197 COC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O 1 2.803 0 3 -3.39292992690385 2187 CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N 1 2.965 5 0 -9.59784535103553 2161 CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)N 1 2.969 2 4 0.135830615548704 2145 CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N 1 1.285 2 2 0 -3.48802221372329 2125 CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)I 1 6.527 4 1 1.52732746535979 2123 CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C 1 0.135 6 0 0 -1.49906932173954 2118 CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4 1 3.513 4 0 1.96413210269995 2117 CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C 1 10.45 0 3 -7.71211356085118 2094 C1=C2C(=NC=NC2=O)NN1 1 -1.479 4 1 0 -3.60946809170246 2092 CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC 1 0.798 5 4 0 -15.632248718108 1986 CC(=O)NC1=NN=C(S1)S(=O)(=O)N 1 -1.329 4 3 0 -10.0536937847085 1893 C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2 1 1.368 3 2 0 -0.593237285103139 1892 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO 1 -0.64 4 3 0 -13.6834673786435 1775 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 1 2.105 2 2 -5.96926154523171 1688 CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl 1 3.835 2 1 6.01319537116062 1570 C1=CC(=S)N(C=C1)O 1 0.71 1 1 0 -1.85357273654911 1546 C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)CO)O 1 -0.259 5 3 0 -4.58744962267929 1486 C1=CC(=C(C=C1Cl)Cl)OCC(=O)O 1 2.623 0 3 -3.5462293814771 1329 CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCCC3 1 3.37 4 2 -5.10914745928256 1088 CNCC(=O)O 1 -3.439 1 2 0 -4.84615331091203 1018 C1=CC=NC(=C1)C(=O)O 1 0.737 1 2 0 -2.93087355328024 1001 C1=CC=C(C=C1)CCN 1 1.257 1 0 0 -0.864668450330927 942 CN1CCCC1C2=CN=CC=C2 1 1.242 2 0 0 4.99752323511758 899 CC(=O)NC1C(C(C(OC1O)CO)O)O 1 -2.782 1 6 0 -14.495194206456 785 C1=CC(=CC=C1O)O 1 1.346 0 2 0 2.78162697037478 597 C1=C(NC(=O)N=C1)N 1 -0.527 3 1 0 -3.97752503404805 487 CC(C(=O)O)C(=O)O 1 6.8e-002 0 4 0 -3.99602039442123 441 CC(CC(=O)O)O 1 -0.251 0 3 0 -5.03078664603867 412 C1CC(NC1)C2=CN=CC=C2 1 0.706 2 0 0 -2.64224032021168 323 C1=CC=C2C(=C1)C=CC(=O)O2 1 1.899 0 2 0 -2.40075766416622 253 C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2 1 0.67 2 3 0 -16.2340121105438 229 C1C(C(C(C(O1)O)O)O)O 1 -2.003 0 5 0 -1.76487352840298 137 C(CC(=O)O)C(=O)CN 1 -3.7 1 3 0 -6.0982219885628 6 C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl 1 2.283 2 4 -1.84836538218243 25163008 C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(/N)\O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.[Ca] Ca+2 1 -1.586 2 9 0 -0.446111833776124 25162944 C[C@H]1[C@H](O1)P(=O)([O-])[O-].[Na+] Na+ 1 -2.496 0 4 0 -3.4753232644252 25162932 C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.O.[Cl-] Cl- H2O 1 2.557 2 0 3.3423325647849 25162931 C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)[O-])OC5=C3C=CC(=C5)[O-].[Na+] Na+ 1 2.33 0 5 -6.33499970006872 25162930 C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)[O-])I)I)I)C(=O)[O-].[Na+] Na+ 1 2.603 0 5 -5.76654328946028 25162927 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C.O.[Cl-] Cl- H2O 1 -2.341 2 4 0 -11.048749505949 25162925 C1=CC(=C[N+](=C1)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N 1 -4.524 7 14 0 -17.5091586736402 25162924 CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N/N=C\3/C(=O)C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)C)N/N=C\5/C(=O)C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+] Na+ 1 -5.857 6 14 0 -3.21425478225331 25162923 C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O.C(C(CO)(CO)N)O.O H2O NC(CO)(CO)CO 1 -2.526 5 13 0 -12.730216011026 25162920 CC(=O)[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O 1 -2.844 0 9 0 -2.91107227844712 25102448 CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.O.[Na+] H2O Na+ 1 -3.9e-002 2 4 0 -5.48551738044182 24981350 C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(/N)\O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.O H2O 1 -1.586 2 9 0 -0.446111833776124 24981348 C[C@@]1(C2C[C@H]3[C@@H](C(=O)/C(=C(/N)\O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.Cl Cl- 1 -0.587 2 8 0 -1.15215918496649 24981347 CCO.C[C@@H]1C2[C@@H](C3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.O.Cl Cl- H2O CCO 1 -0.443 2 8 0 -1.9835930841134 24981346 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O.O H2O 1 -7.805 0 21 0 -9.74116918336987 24978967 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC4(CC3)CC(=NO4)C5=CC=CC=C5)NC(=O)C6=C(C=CC=C6Cl)Cl 1 6.64 4 3 0 -11.2137896596334 24978965 CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC(=CC=C4)Br)NC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-] 1 5.422 5 5 0 -10.5333379594916 24978962 CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC(=CC=C4)Br)NC(=O)C5=CC=C(C=C5)Br 1 5.611 4 3 0 -9.0635834689602 24856315 CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)OC 1 4.098 4 4 0 -12.0378432751503 24856308 CC1CCC(CC1)CN2CCN=C2NC3=CC=CC=C3 1 3.671 3 0 -4.19397035471378 24856299 CC(C)C[C@H]1CN=C(N1CCC2CCCCC2)NC3=CC=CC=C3 1 5.418 3 0 -5.75149421528003 24856298 CC(C)C[C@H]1CN=C(N1CC2CCC2)NC3=CC=CC=C3 1 4.116 3 0 -4.62182400525386 24856292 CC(C)C[C@H]1CN=C(N1CCCC2CCCC2)NC3=CC=CC=C3 1 5.418 3 0 -3.79417232049326 24856269 CC(C)CCCN1CCN=C1NC2=CC=CC=C2 1 3.267 3 0 -6.98310477245726 24856266 C1CCC(C1)CN2CCN=C2NC3=CC=CC=C3 1 2.963 3 0 -1.70945114071694 24856264 CC(CCN1CCN=C1NC2=CC=CC=C2)C3=CC=CC=C3 1 3.844 3 0 -0.761378580799741 24856259 CCC(C)CCN1[C@H](CN=C1NC2=CC=CC=C2)CC(C)C 1 4.877 3 0 -5.81954901162849 24856240 CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)Cl.O.Cl Cl- H2O 1 1.277 2 5 0 -7.81890874812855 24856219 CCC(CC)CN1[C@H](CN=C1NC2=CC=CC=C2)CC(C)C 1 4.944 3 0 -6.04821891075191 24856218 C1CCC(C1)CCN2CCN=C2NC3=CC=CC=C3 1 3.352 3 0 -2.17400467586808 24856217 CC(C)C[C@H]1CN=C(N1CC2CCCCC2)NC3=CC=CC=C3 1 5.029 3 0 -4.91084329252403 24856216 CC(C)CCN1CCN=C1NC2=CC=CC=C2 1 2.811 3 0 -3.62740127937413 24856215 C1CN(C(=N1)NC2=CC=CC=C2)CCC3=CC=CC=C3 1 3.136 3 0 -1.61801681698132 24856203 CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=NO2)C3=C(C=C(C=C3)OC)OC)C(=O)O 1 3.399 2 7 0 -1.66600882335536 24856173 CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)Br 1 4.863 4 3 0 -11.2617958498771 24818128 CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=NO2)C3=C(C=C(C=C3)OC)OC)C(=O)OC 1 3.625 2 7 0 -0.402939448336273 24817265 CC1=CC=C(C=C1)CNC(=O)CCN2C=C(N=C2C3=CC=NC=C3)C4=CC=C(C=C4)C 1 4.508 4 1 -7.02964870774658 24789321 CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5 1 4.114 4 3 0 -12.8982046441777 24789320 CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC=CC=C4)N 1 2.583 4 2 -8.60401433642321 24762044 C1CC2CN(CCN2C1)CCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.Cl Cl- 1 4.387 3 1 10.3604716997232 24762037 COC(=O)CCC(C1=CC=CC=C1)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.496 1 5 -13.7395289873893 24762008 COC(=O)[C@H](C1=CC=CC=C1)NCC2=CC(=CC=C2)CN[C@@H](C3=CC=CC=C3)C(=O)OC 1 3.757 2 4 -7.70551788418634 24761790 COC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NC(C3=CC=CC=C3)C(=O)OC 1 2.504 2 8 0 -17.599417119791 24761779 C[C@@H](C(C1=CC=CC=C1)O)N(C)C(=O)CCC2=CC=CC=C2 1 3.185 1 2 -7.76188225315093 24761772 CC(=O)OCCC(C)(C)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 1.092 1 5 0 -9.76697765734259 24761749 CC(C)(C)SC(=O)CC1C(COS(=O)(=O)N1)NC(=O)OCC(Cl)(Cl)Cl 1 1.764 2 6 0 -9.98025930212247 24761748 CC(C)(CCOC(=O)C1=CC=CC=C1)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.756 1 5 -11.0789071777954 24761745 C1COS(=O)(=O)NC1C2CC2C3=CC=CC=C3 1 1.024 1 3 0 -3.36934309060769 24761744 CC(C)(C)C1=CC(=CC(=C1)CC(C)(C)C#N)CC(C)(C)C#N 1 5.728 2 0 0.538407978667866 24761741 CC(C)(C)C1=CC(=CC(=C1)CC(C)(C)C(=O)O)CC(C)(C)C(=O)O 1 5.23 0 4 -7.9872295970066e-002 24761721 CC(=O)OCCC(C1=CC=CC=C1)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.122 1 5 -10.6597867236165 24761718 CN([C@H](C1=CC=CC=C1)C(=O)OC)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)[C@H](C3=CC=CC=C3)C(=O)OC 1 2.916 2 8 0 -12.4608279633302 24761717 [2H]C(CCOS(=O)(=O)N)C1=CC=CC=C1 1 1.165 1 3 0 -4.84107340151422 24761711 CC(C)(C)SC(=O)CC1C2CCCCC2OS(=O)(=O)N1 1 1.799 1 4 0 -6.00793432248981 24761710 C=CCC1C(COS(=O)(=O)N1)CC2=CC=CC=C2 1 1.795 1 3 0 -5.37424785431272 24761709 C[C@@H]([C@H](C1=CC=CC=C1)O)N(C)C(=O)C(CC2=CC=CC=C2)N 1 2.108 2 2 -4.08441118204458 24761707 C1=CC=C(C=C1)CCCOP(=O)(N)OC2=CC=CC=C2Cl 1 3.77 1 3 -0.271740173242064 24761695 C1CCC(=CC1)CC2C3CCCCC3OS(=O)(=O)N2 1 2.682 1 3 -4.2325437905365 24761690 CC(C)CC1=C(C=CC(=C1)OC)OS(=O)(=O)N 1 2.201 1 4 -1.61677421844433 24761686 CC(C)(C1=CC=CC=C1)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.773 1 3 -4.73547061199889 24761683 COC1=CC2=C(C=C1)C(CCC2)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 3.19 1 4 -5.3020003297523 24761682 C=CCC1C2CCCCC2OS(=O)(=O)N1 1 1.292 1 3 0 -7.52152032876116 24761680 CC(C)CC(C1=CC=CC=C1)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 3.8 1 3 -8.76379291053472 24761315 C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)CO)CC3=CC=CC=C3 1 2.63 2 2 -0.317513234212013 24761280 C1CN(CCN(C1=O)[C@H](CO)C2=CC=CC=C2)CC3=CC=CC=C3 1 2.308 2 2 -6.167713098843 24761274 CCCN1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CO 1 1.919 2 2 0 -1.68622573021653 24761265 CC(C)CN1CCC(=O)N(CC1)CCO 1 0.304 2 2 0 -8.78800185921222 24761261 CC(C)C[C@@H](CO)N1CCN(CCC1=O)CC(C)C 1 1.914 2 2 0 -7.02882085852967 24761256 CC(C)C[C@@H](CO)N1CCN(CCC1=O)CC2=CC=CC=C2 1 2.305 2 2 -3.96418047548831 24761236 CCCN1CCC(=O)N(CC1)[C@H](CO)C2=CC=CC=C2 1 1.597 2 2 0 -7.67159814834406 24747903 COC1=CC=C(C=C1)CNC(=O)C2(CCN(CC2)C(=O)C3=CC=CC=C3)CC4CC(=NO4)C5=CC=CC=C5 1 4.135 3 4 0 -10.3130579369211 24747892 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCC(CC2)(CC3CC(=NO3)C4=CC=CC=C4)C(=O)NCC5=CC=C(C=C5)OC 1 5.133 3 7 0 -15.8464791820399 24747875 C1C(ON=C1C2=CC(=CC=C2)[N+](=O)[O-])CN3C(=CC(=N3)C4=CC=CC=C4)C(=O)NCC5=CC=CS5 1 4.601 5 4 0 -10.6238927149888 24747874 CC1=CC=C(C=C1)CNC(=O)C2=CC(=NN2CC3CC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5 1 5.348 5 4 0 -7.67824664628685 24747849 C1CC1CNC(=O)C2=CC(=NN2CC3CC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5 1 4.098 5 4 0 -7.91057274112453 24747848 COCCNC(=O)C1=CC(=NN1CC2CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4 1 3.147 5 5 0 -10.7609940901455 24747816 C1C(ON=C1C2=CC(=CC=C2)[N+](=O)[O-])CN3C(=CC(=N3)C4=CC=CC=C4)C(=O)NCC5=CC(=CC=C5)Br 1 5.61 5 4 0 -7.99086099648805 24747815 COC1=CC=CC=C1CNC(=O)C2=CC(=NN2CC3CC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5 1 4.845 5 5 0 -10.3738836835093 24747691 C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O.O.Cl Cl- H2O 1 -2.33 2 7 0 -4.32104705031182 24747381 CC(C)[C@H]1COCCS(=O)(=O)N1CC2=CC=CC=C2 1 1.862 1 3 0 -1.15152756699269 24746791 CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC=C(C=C3)OC)C.[Cl-] Cl- 1 7.505 2 4 -5.41966758186998 24688097 COCCNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O 1 1.583 1 5 0 -9.46993626385278 23337149 CN(CCO)C(=O)CCC=C 1 0.228 1 2 0 -9.49970334338669 22723678 CN1/C(=C(/NC2=CC=CC=N2)\O)/C(=O)C3=CC=CC=C3S1(=O)=O.O H2O 1 1.439 3 4 0 0.167588147377756 23723320 CCCNC(=O)C1(CCN(CC1)C(=O)C2=CC(=C(C(=C2)OCC)OCC)OCC)CC3CC(=NO3)C4=CC=CC=C4 1 4.438 3 6 0 -17.8428411591478 23723292 CC(C)CCNC(=O)C1=C(ON=C1CSC2=CC=CC=C2)C(=O)NCCC(C)C 1 4.493 3 3 -9.90555926809547 23723062 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C3(CC(=NO3)C4=CC=CC=C4)C 1 5.046 2 1 5.49685396318524 23702959 C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)N=C(N4)N)N=C3Br)O)OP(=O)(O1)[O-].[Na+] Na+ 1 -2.543 5 7 0 -10.4485151246464 23702958 C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=NC=N4)N)N=C3Br)O)OP(=O)(O1)[O-].[Na+] Na+ 1 -2.044 5 6 0 -7.48675846092273 23681059 C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-].[Na+] Na+ 1 1.375 0 3 0 0.193788252201507 23681045 C(=O)(C(Cl)(Cl)Cl)[O-].[Na+] Na+ 1 -1.e-003 0 2 0 -2.79518265577547 23680518 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)[O-])O)CCC4=CC(=O)C=C[C@]34C)O.[Na+] Na+ 1 1.e-002 0 8 0 -12.4432143511501 23680490 CC(C)CC(=O)C(=O)[O-].O.[Na+] H2O Na+ 1 -0.428 0 3 0 -5.00776066250325 23679061 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O.[Na+] H2O Na+ 1 1.438 0 5 0 -15.6533318968379 23678966 C(C(C(=O)[O-])O)(C(=O)O)O.O.[Na+] H2O Na+ 1 -3.138 0 6 0 -5.49691004403397 23675341 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)[O-].[Na+] Na+ 1 -2.384 5 7 0 -13.5771791409772 23674502 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[K+] K+ 1 1.301 0 5 0 -12.5045798531399 23672705 C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=NC=N4)N)N=C3SC5=CC=C(C=C5)Cl)O)OP(=O)(O1)[O-].[Na+] Na+ 1 0.295 5 6 0 -3.23334457509578 23672329 C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[K+] K+ 1 -1.566 0 5 0 1.32104767095106 23669773 C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O1)[O-].[Na+] Na+ 1 -3.029 5 6 0 -7.80396605788801 23667301 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+] Na+ 1 1.301 0 5 0 -12.5045798531399 23667300 CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)CC3=CC=CS3.[Na+] Na+ 1 -1.151 3 7 0 -15.7376124133465 23665017 C[C@@H](CC(=O)[O-])O.[Na+] Na+ 1 -1.725 0 3 0 -3.36118128397658 23664709 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.[K+] K+ 1 -0.35 2 4 0 -10.5480847671836 23663996 CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.[Na+] Na+ 1 6.81 1 3 -0.351248485593617 23663976 CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C3=CC=C(C=C3)F.[Na+] Na+ 1 2.77 1 4 -2.3171554145334 23663967 CCCC(=O)NC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)[O-])OC(=O)CCC.[Na+] Na+ 1 -0.537 5 8 0 -20.010993388353 23641185 COC1=CC=C(C=C1)CNC(=O)C2(CCN(CC2)C(=O)CC3=CC=C(C=C3)F)CC4CC(=NO4)C5=CC=CC=C5 1 4.376 3 4 0 -11.881953766347 23641088 C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2C1)C)C(=O)O)CO 1 5.356 0 4 -1.27189466259309 23641027 C[C@H]1CCCC[C@]12CC(=O)C3=C(O2)C=CC=C3OC 1 3.505 0 3 -6.73967672114235 23641025 CC(C)(C)OC(=O)N1CCC(CC1)(CC2CC(=NO2)C3=CC=C(C=C3)Cl)C(=O)OC 1 3.79 2 5 0 -5.78167658934528 23640937 C1[C@H]2C(=O)N[C@H](C(=O)N2[C@@H]3[C@]1(C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)Br)CC6=CC=CC=C6 1 3.372 3 4 0 -10.8525505677635 23640930 CCCCNC(=O)C1=C(ON=C1CSC2=CC=CC=C2)C(=O)NCCCC 1 3.989 3 3 -8.35007503804594 23640912 CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=O)/C(=C(\N)/O)/C1=O)O)O)O)N(C)C.Cl Cl- 1 0.405 3 7 0 -4.1186134044964 23640828 CC1(CC(=NO1)C2=CC=CC=C2)C3=NN=C(O3)C4=CC=CC=C4 1 3.133 3 2 -4.11876510718329 23640823 CC1(CC(=NO1)C2=CC=C(C=C2)OC)C3=NN=C(O3)C4=CC=CC=C4 1 3.117 3 3 -2.86680879925151 23640820 CC1(CC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-])C3=NN=C(O3)C4=CC=CC=C4 1 3.027 4 4 0 -4.95969044037832 23640817 CC1(CC(=NO1)C2=C(C=CC=C2Cl)Cl)C3=NN=C(O3)C4=CC=CC=C4 1 4.462 3 2 -3.87081049035352 23640814 CC1=CC=C(C=C1)C2=NOC(C2)(C)C3=NN=C(O3)C4=CC=CC=C4 1 3.619 3 2 -2.45384259010737 23640766 CCCCNC(=O)C1=C(ON=C1CSC2=CC(=CC(=C2)C)C)C(=O)NCCCC 1 4.961 3 3 -8.58816912623256 23631972 C1=CC(=CC=C1CCNC2=NC=NC3=C2C=C(C=C3)Cl)O 1 3.59 3 1 9.0261790426943 23621435 C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)N=C(N2)N)O)O.Cl Cl- 1 -2.336 5 3 0 -10.2994196325544 23581825 CCCCCCCCCOC1=CC2=C(C=C1)NC=C2CCN.Cl Cl- 1 5.143 2 1 -1.94284803642268 23581824 CC(=C)CN1CC[C@]23[C@@H]4C5=C(C[C@]2(C1CC6=C3C(=C(C=C6)O)O4)O)C7=CC=CC=C7N5.O.Cl Cl- H2O 1 4.092 2 3 -2.83377284894411 23581823 CN1CC[C@@]2(CC3=NC4=CC=CC=C4C=C3C[C@H]2C1)C5=CC(=CC=C5)O.O.Br Br- H2O 1 4.145 2 1 5.51825852556911 23581822 CS(=O)(=O)NC1=CC=C(C=C1)CC2=NOC(=N2)C3=CC4=C(C=C3)NC=C4CCN.O H2O 1 1.811 5 3 0 -7.15743335683655 23581820 C1CC2=CC(=C(C=C2[C@@H]3[C@@H]1NCC4=CC=CC=C34)O)O.O.Cl Cl- H2O 1 2.869 1 2 -1.7628827428494 23581819 C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S.O.Cl Cl- H2O 1 4.362 3 2 -3.27371988575097 23581818 C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5.O.Cl Cl- H2O 1 4.156 3 1 1.69359095023434 23581817 CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)Br.Br Br- 1 4.157 1 1 1.14950809344186 23581814 C1CC(C1)CN2CC[C@]34C5C(CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O.Cl Cl- 1 2.119 1 4 4.45133606431133 23581811 C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6.O.Cl Cl- H2O 1 3.849 2 3 0.627576379643349 23581808 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4.O.Cl Cl- H2O 1 1.423 4 2 0 4.7555466652811 23581800 CN(C)CCCSC1=CC=CC=C1NC(=O)/C=C/C2=CC=CC=C2.O.Cl Cl- H2O 1 3.825 2 1 -8.07458033058189 23581799 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.O.Cl Cl- H2O 1 5.534 2 4 -3.21667689375093 23581797 C1[C@H](O[C@H]([C@H]1O)N2C=NC3=C2N=CN=C3N)CO.O H2O 1 -1.308 5 3 0 -3.44239683901362 23581790 CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O.Cl Cl- 1 2.991 3 4 0 -15.0461438067935 19108665 C1=CC=C(C=C1)CCCCCOS(=O)(=O)N 1 2.077 1 3 -3.18432706412145 19849157 COC1=CC(=C(C=C1C(=O)NC2CN3CCC2CC3)Cl)N.O.Cl Cl- H2O 1 1.475 3 2 0 0.107632207389763 19846442 COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC.O.Cl Cl- H2O 1 1.487 5 4 0 -1.59250553410174 18528119 C[C@@H]1CN(C[C@@H](N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42.O.Cl Cl- H2O 1 3.906 3 0 1.14450448754762 18106605 C=CCNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O 1 2.331 1 4 -10.2920913281818 14653358 CN1/C(=C(/NC2=CC=CC=N2)\O)/C(=O)C3=C(S1(=O)=O)C=C(S3)Cl 1 1.851 3 4 0 -9.31539133245676e-002 13739951 CC(C)CC1COC(=O)N1 1 1.444 1 2 0 -6.266136379438 16760591 C[C@H]1CC[C@@H](O[C@H]1[C@@H](C)C(=O)[O-])C[C@@H]2C[C@H]([C@H]([C@@]3(O2)[C@@H](C[C@@](O3)(C)[C@H]4CC[C@@](O4)(C)[C@H]5[C@H](C[C@@H](O5)[C@@H]6[C@H](C[C@H]([C@@](O6)(CO)O)C)C)C)C)C)OC.[Na+] Na+ 1 3.064 0 11 0 -3.97520371682214 16746579 C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NCC(=O)OC(C)(C)C 1 0.614 4 6 0 -20.9153612929324 16746578 CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC(=O)OC(C)(C)C 1 2.498 4 6 0 -24.7713612203263 16746577 CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C1=C(N=CN1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1 4.131 6 10 0 -25.063495871784 16746559 CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NCC(=O)OC(C)(C)C 1 1.845 4 6 0 -24.4793293515538 16746553 CC(C)(C)OC(=O)CNC(=O)C1=C(N=CN1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1 2.131 5 8 0 -29.2933717901226 16746125 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C3(CC(=NO3)C4=CC=C(C=C4)[N+](=O)[O-])C 1 4.941 3 3 2.62691895437113 16746013 CC(C)[C@H](CO)N(CC1=CC(=CC=C1)F)C2=NC3=C(C(=N2)NC4=CC(=CC=C4)Cl)N=CN3C(C)C 1 5.347 6 1 0 4.70667230187528 16745797 C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(F)(F)F 1 5.308 4 3 0 4.03770487393438 16745791 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)NC4=CC=CC(=C4)C(F)(F)F 1 6.356 3 1 7.13090637424119 16745790 C1=CC(=CC(=C1)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(F)(F)F)C(F)(F)F 1 6.25 4 3 0 6.16608625573879 16745629 CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3=CC=CC=C3)C4CC4)OC(=O)CCC(=O)OC 1 2.639 1 6 0 -11.0231714287089 16745551 CC[C@@H](C)CN1C(=C([C@@H](NC1=O)CCC2=CC=CC=C2)C(=O)C)C 1 3.571 2 2 -11.5697691066609 16745504 C1CC1CNC(=O)C2=C(ON=C2CSC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4 1 3.735 3 3 -9.30909820111153 16745472 CC(C)CCNC(=O)C1CC(=NO1)C2=CC=CC=C2C(F)(F)F 1 3.328 2 2 -11.8913847245446 16745455 CC1=CC(=CC(=C1)SCC2=NOC(=C2C(=O)NCCCN3CCOCC3)C(=O)NCCCN4CCOCC4)C 1 2.082 5 5 0 -8.68076367910673 16745449 COC1=CC=C(C=C1)CNC(=O)C2CC(=NO2)C3=CC=CC=C3C(F)(F)F 1 3.315 2 3 -7.39937472724691 16738693 CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.O.[Br-] Br- H2O 1 1.092 1 3 0 -8.41162230278354 16684434 CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+] Na+ 1 1.286 0 2 0 -5.52694662275192 16682666 CC1(CC(=NO1)C2=CC=C(C=C2)F)C3=NN=C(O3)C4=CC=CC=C4 1 3.338 3 2 -1.74196556464212 16682665 CC1(CC(=NO1)C2=CN=CC=C2)C3=NN=C(O3)C4=CC=CC=C4 1 1.982 4 2 0 -4.70217949138839 16682631 CC1(CC(=NO1)C2=CC(=CC=C2)Cl)C3=NN=C(O3)C4=CC=CC=C4 1 3.797 3 2 1.13850427589004 16682625 CC1(CC(=NO1)C2=CC=C(C=C2)Cl)C3=NN=C(O3)C4=CC=CC=C4 1 3.797 3 2 -0.631843899520552 16682623 CC1(CC(=NO1)C2=CC=NC=C2)C3=NN=C(O3)C4=CC=CC=C4 1 1.982 4 2 0 -3.11103601554973 16682022 C1C(ON=C1C2=CC=CC=C2C(F)(F)F)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F 1 5.451 2 3 -5.12028562728123 16682018 C1C(ON=C1C2=CC=CC=C2C(F)(F)F)C(=O)NCC3=CC(=CC=C3)C(F)(F)F 1 4.273 2 2 -5.20423587520369 16681994 C1C(ON=C1C2=CC=CC=C2C(F)(F)F)C(=O)NCC3=CC(=CC=C3)Br 1 4.079 2 2 -6.8328120564277 16681879 C1C(ON=C1C2=CC=CC=C2C(F)(F)F)C(=O)NCC3=CC=C(C=C3)C(F)(F)F 1 4.273 2 2 -4.73776090065006 16681875 C1C(ON=C1C2=CC=CC=C2C(F)(F)F)C(=O)NCC3=CC=CC=C3C(F)(F)F 1 4.273 2 2 -8.05960613337764 16220118 CC1=C(N(C(=C1)CC(=O)[O-])C)C(=O)C2=CC=C(C=C2)Cl.[Na+] Na+ 1 2.457 1 3 -3.08109237435426 16219895 CCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@@H](C2=CC=CC=C2)O.Cl Cl- 1 4.162 2 3 -17.0176273060737 16219722 CS(=O)(=O)O.C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8O6.O H2O CS(=O)(=O)O 1 3.859 1 4 4.57815830516587 16219719 C[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC=C.[I-] I- 1 9.8e-002 1 4 0 -3.84951713174913 16219399 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C 1 1.972 1 6 0 -25.2196780843953 16219288 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O.[Na] Na+ 1 0.376 3 4 0 -10.2896818866267 16219160 C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CCC(=O)O)O)C.[K] K+ 1 2.935 0 4 -12.5593305966911 16219113 C[C@H](CCCC(C)C)C1CCC2C1(CCC3C2=CC[C@@H]4C3(CCC(C4)O)C)C 1 7.376 0 1 -18.1353797325834 16219042 C1=CC=C(C=C1)C(=N)N.O.Cl Cl- H2O 1 0.886 2 0 0 -2.15988838293895 16219016 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)C4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O CS(=O)(=O)O 1 4.363 5 5 0 -6.35397842513354 16218886 CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.O.Cl Cl- H2O 1 4.76 3 1 7.56014388894202 16218503 C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@H]5C6=C(C(=CC=C6)OC7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O 1 0.409 0 20 0 -13.2012168704907 16218404 C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)OC7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O 1 0.409 0 20 0 -13.2012168704907 16217663 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@H](CO)O)O)C(CO)O)O)O)O)O 1 -4.688 0 11 0 -14.4970696536778 16217605 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@]([C@H]2O)(CO)O)CO)O)O)O)O 1 -4.311 0 11 0 -12.2335378175132 16213036 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.O.[Na] H2O Na+ 1 2.3 3 5 0 -12.5582221264394 16212154 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O H2O 1 1.63 0 7 0 6.64343050401726 16211710 COC1=C(C=CC(=C1)[C@H]2[C@@H](OC3=C(O2)C=C(C=C3)C4[C@@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O 1 2.592 0 10 0 -1.7864446970567 16196941 CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=O)/C(=C(\N)/O)/C1=O)O)O)O.Cl Cl- 1 -0.639 2 8 0 -1.93532813830041 16196538 CC1=CC=C(C=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](C)C3=CC=CC=C3 1 2.877 4 2 -12.1954001438397 16196495 CCN(CC)C(=O)C1=C(N=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 1 3.087 4 4 0 -17.3621077533064 16196375 CC1(CC(=CC(=[N+]2CCCCC2)C1)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C.[I-] I- 1 5.818 3 0 -6.73682793745607 16196369 C1=CC=C2C(=C1)N(C(=[N+]2C3=CC=CC=N3)C4=CC=C(C=C4)Br)C5=CC=CC=N5.[I-] I- 1 6.591 4 0 2.76457327737296 16196349 CC1=CC(=CC(=[N+]1C2=CC=CC=C2OC)C)/C=C\3/N(C4=CC=CC=C4S3)C.[I-] I- 1 5.936 2 1 0.136561501570927 16196348 C1=CC=C2C(=C1)N(C(=[N+]2C3=CC=CC=N3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=N5.[I-] I- 1 5.737 5 2 0 -0.106613518383373 16196265 C1=CC=C(C=C1)C2=CP(=O)(C=C(O2)C3=CC=CC=C3)NCCCN4C=C[N+](=C4)CC5=NC6=CC=CC=C6N5.[Cl-] Cl- 1 3.803 5 2 0 7.00442238514344 16196147 COC1=CC=CC=C1N2C3=[N+](C=C2C4=CC=CC=C4)C5=CC=CC=C5CC3.[Br-] Br- 1 6.029 2 1 -0.848392502304511 16195677 C[C@@H](CN1[C@H](CN2C1=NC[C@@H]2C(C)C)CC3=CC=C(C=C3)OC)NC(=O)CCC4CCCCC4 1 5.214 4 2 -15.3221073001505 16195655 CC1=C(C=C(C=C1)C(=O)N[C@@H](C)CN2[C@H](CN3C2=NC[C@@H]3C(C)C)CC4=CC=C(C=C4)OC)Br 1 5.285 4 2 -7.68604562891811 16193530 COC(=O)C1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NC4CCN(CC4)CC5=CC=CC=C5 1 2.47 5 6 0 -17.5952158538431 16192954 CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2COC4=CC=CC=C4C)C)C(C)C.[Cl-] Cl- 1 7.079 2 3 -0.774049757898458 16192675 C[N+](C)(C)CCC1=CC(=C(C=C1/C=C\C2=CC(=C(C=C2)OC)OC)OC)OC.[I-] I- 1 2.79 1 4 -5.96484261197629 16188078 CCOC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NC4CCN(CC4)CC5=CC=CC=C5 1 2.947 5 5 0 -11.4986340041432 16187200 C1=CC(=CC=C1C(=O)CN2C=[N+](C=N2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Br-] Br- 1 2.86 5 6 0 -4.70189578189853 16129778 C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O 1 8.813 0 46 0 -18.7843656437676 16079002 CCOC1=CC=CC=C1O[C@@H]([C@H]2CNCCO2)C3=CC=CC=C3.CS(=O)(=O)O.O H2O CS(=O)(=O)O 1 3.077 1 3 -10.5889986153491 16072213 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C.O.[Na] H2O Na+ 1 3.128 0 5 -22.6546707847347 16060356 C1[C@H]([C@H]([C@@H](OP1(=O)OC2=CC=CC=C2)COCC3=CC=CC=C3)O)O 1 1.536 0 6 0 -4.12603606730329 16060240 C1CN(CCN(C1=O)CCO)CC2=CC=CC=C2 1 0.696 2 2 0 -5.14698393257439 16033820 CCC(C)NC(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CCCC(=O)NCCC4=CC(=C(C=C4)OC)OC)OCO3 1 3.815 4 7 0 -37.2350695057265 16007696 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NCCCN(CC(C)C)CC(C)C 1 4.443 4 4 0 -24.4928780678679 15945552 CC1=C(C(=NC2=CC(=NN12)C3=CC=C(C=C3)Cl)C)CCC(=O)NC(C)C4=CC5=C(C=C4)OCCO5 1 4.725 4 3 0 -16.3478961496913 15270871 COC1=CC=C(C=C1)C2=C[N+](=C3N2CCCC3)CC(=O)C4=CC=C(C=C4)OC.[Br-] Br- 1 4.502 2 3 0.19529747238721 13216871 CCOC(=O)[C@@H](CCC1=CC=CC=C1)N[C@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O 1 0.308 2 5 0 -11.3310838972612 12834837 COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl Cl- 1 3.374 2 10 0 -4.25043434880341 12444418 CC1=C2C(=CC(=C1)O)CC[C@](O2)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 1 9.468 0 2 -2.94911208474494 12005715 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NN=C/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 2.82 5 3 0 0.144020395221828 11958910 COC1=C/C(=C/NNC(=O)CNC(=O)C2=CC3=C(C=C2)OCCO3)/C=CC1=O 1 -0.46 3 6 0 -13.3037916769709 11958907 CC1CC(CC(C1)(C)C)OCC(CN2CCN(CC2)CC3=CC=CC=C3)O.Cl Cl- 1 3.787 2 2 -3.2289496343718 11958883 CCOC1=C(C(=CC(=C1)CNCCCN2CCOCC2)Br)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F.Cl Cl- 1 3.899 3 4 0 -6.27016959129526 11958880 CC(CC(=O)O)(CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C3C=C(C(=O)OC3=C2)OC4=CC5=C(C=C4)C=CC(=O)O5)OC)O)O)O)O 1 0.964 0 16 0 -25.0821680610348 11958854 CN1C[C@H]([C@]2([C@]13C4=CC=CC=C4NC3=O)COC5=CC=CC=C5C2=O)C6=CC(=C(C=C6)Cl)Cl 1 4.711 2 3 -1.82597824582553 11958814 C1C(ON=C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)OC(F)(F)F 1 4.403 3 5 0 -7.15411300789193 11958752 C[N+]1=C2N(C3=CC=CC=C31)N=C(CS2)C4=CC=CC=C4.[Br-] Br- 1 4.243 3 0 -1.1231732059269 11958565 COC1=CC=CC=C1CNC(=O)C2CC(=NO2)C3=CC=CC=C3[N+](=O)[O-] 1 2.267 3 5 0 -12.5411526926606 11958564 C1C(ON=C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C(F)(F)F 1 3.225 3 4 0 -6.24974876810586 11958563 C1C(ON=C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=CC(=CC=C3)C(F)(F)F 1 3.225 3 4 0 -6.7162237426595 11958528 C1C(ON=C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 4.168 3 4 0 -9.15018847596203 11958523 C1C(ON=C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=CC=CC=C3C(F)(F)F 1 3.225 3 4 0 -9.57159400083344 11957694 C[N+]1(C2CC(CC1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[N+](=O)([O-])[O-] NO3 1 -0.531 1 4 0 -10.1882644301833 11957535 CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC=CC=C3)O)Cl.Cl Cl- 1 4.073 1 1 2.34885979663996 11957552 C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O.Br Br- 1 3.053 1 3 1.07513880136425 11948917 CC\1=NC2=CC=CC=C2/C1=C/NNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)NC4=CC=C(C=C4)Cl.CS(=O)C CS(=O)C 1 3.574 5 4 0 -1.257135254104 11948870 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=C(C=C3)C)CSC(=N)N.Br Br- 1 5.367 3 4 0 -2.72961913842483 11948812 CCOC1=C(C(=CC(=C1)CNCCSC2=NN=NN2C)Br)OCC3=CC=CC=C3.Cl Cl- 1 4.058 5 2 0 -15.9037306161176 11948811 CN1C(=NN=N1)SCCNCC2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)F)OC.Cl Cl- 1 3.914 5 2 0 -12.8669702943894 11948780 CC(C)N1C(=O)CC2(C1=O)CC[N+](CC2)(C)CCOC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.[I-] I- 1 2.195 2 4 -11.0417330895405 11948755 CC(C)N1C(=O)CC2(C1=O)CC[N+](CC2)(C)CCOC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[I-] I- 1 1.594 2 5 0 -10.6133676902546 11957307 CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)/C=C/C4=CC=CC=C4)OC(=O)C 1 5.02 2 6 0 -24.4166456782444 11957132 COC1=CC=CC(=C1)NC2=NC(=CS2)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O.Br Br- 1 4.279 3 3 3.96173151868543 11840403 CC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)/C=C/3\C(=O)N(C(=NC4=CC=CC=C4)S3)CC5=CN=CC=C5 1 5.524 4 3 0 -8.57282428541636 11834396 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)C4=C(N=C(S4)C)C.Br Br- 1 2.603 5 3 0 -4.15309444585525 11495267 C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F.Cl Cl- 1 3.887 1 2 6.40116810393607 11476710 CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=N[N-]N=N4)CO)Cl.[K+] K+ 1 4.148 6 1 0 -1.65380802405939 9952135 C1=CC(=CC=C1CCNC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N 1 -0.64 6 4 0 -9.81848168058394 9951025 C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.Cl Cl- 1 3.229 1 3 -3.00313775468893 9949461 CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O.[Na] Na+ 1 3.292 0 4 -6.29880481303158 9926449 COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl Cl- 1 1.275 2 3 0 -3.82698804919532 9889433 CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-] Br- 1 0.797 1 4 0 -11.1967564865491 9885603 C[C@H]1[C@@H]2CN3CC[C@@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O 1 1.162 2 4 0 -8.11167652585532 9859122 C1COCCN1[N+]2=CC(=N)O[N-]2.Cl Cl- 1 -0.754 4 2 0 -2.19443434279024 10433231 CC1=NC(=CC=C1)CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C.Cl Cl- 1 2.286 3 3 -3.72042618414295 10429112 C[C@H]1[C@@H]2CN3CC[C@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O 1 1.162 2 4 0 -8.11167652585532 10314472 CN[C@@H]1C[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl Cl- 1 4.54 1 0 0.6026018722304 10256643 CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O.Cl Cl- 1 5.7e-002 7 6 0 -16.2440857056306 10238982 C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl Cl- 1 6.114 2 1 1.01616225875719 9846332 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C(=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)Cl)F 1 1.915 0 5 0 -1.86364594779514 9646561 COC1=CC(=C(C=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N)OC 1 1.632 3 4 0 1.97355295303757 9637434 COC1=CC=CC=C1CC(=O)O/N=C(/C2=CC=CC=N2)\N 1 1.683 3 3 0 -1.92729440171324 9605090 C1=CC=C\2C(=C1)C=CC(=O)/C2=N\NC3=CC=C(C=C3)F 1 3.813 2 1 -0.987392681038475 9604979 CS(=O)(=O)O.C1=CC=C(C=C1)NC(=NC(=O)C2=C(N=C(C(=N2)Cl)N)N)N CS(=O)(=O)O 1 1.035 7 1 0 -4.5935868830017 9593855 COC1=CC(=CC(=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N)OC 1 1.632 3 4 0 -2.03153218726066 9587642 COC1=C(C=C(C=C1)Cl)C(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.312 3 3 2.30776074290994 9587435 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.662 3 5 0 -5.74997516619417 9587353 CC1=C(C=C(C=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N)C 1 2.637 3 2 4.23571637858799e-002 9587021 CC1=C(C=C(C=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N)Cl 1 2.815 3 2 5.26766314425739e-002 9586790 CC1=CC(=C(C=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N)Cl 1 2.815 3 2 6.04145736328215 9567036 COC1=CC=C(C=C1)CC(=O)O/N=C(/C2=CC=CC=N2)\N 1 1.683 3 3 0 -0.787434660234364 9567018 COC1=CC=CC(=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N 1 1.648 3 3 0 -1.0215043751425 9552046 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C 1 2.565 4 7 0 -19.4299949982093 9552018 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC2=CC=CC=C2 1 2.523 3 6 0 -33.4181934037107 9552005 C1=CC=C(C(=C1)C(=O)OCCNC(=O)C2=CN=CC=C2)C(=O)OCCNC(=O)C3=CN=CC=C3.Cl Cl- 1 0.952 4 6 0 -14.2525960152681 9551998 CC1=CC=C(C=C1)N2C3=[N+](C=C2C4=CC=C(C=C4)Br)C5=C(CC3)C=CC6=C5N=CC=C6.[Br-] Br- 1 7.466 3 0 4.48618601225236 9551988 COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.502 2 8 0 -18.0357055240012 9551979 C1=CC(=CN=C1)C(=O)NCCOC(=O)C2=CC=C(S2)C(=O)OCCNC(=O)C3=CN=CC=C3.Cl Cl- 1 1.197 4 6 0 -13.5331792617277 9551929 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5.Cl Cl- 1 1.848 3 6 0 -20.7847415749008 9551638 C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4)C5=CC=CC=C5.Cl Cl- 1 4.779 6 3 0 -17.1308906463675 9551555 C1CN(CCN1C2=NN3C(=NN=C3C4=CC=CC=C4)C=C2)S(=O)(=O)C5=CC=C(C=C5)Br 1 3.192 6 2 0 -13.0921795244935 9551457 CN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC(=C(C=C4NC3=O)OC)OC 1 1.687 5 5 0 -11.563730951566 9551434 CC1=CC=C(C=C1)CC2=C(N3C(=NC(=N3)SCC(=O)N4CCC5(CC4)OCCO5)N=C2C)C 1 3.659 5 3 0 -19.1785468074722 9551300 CN1C2=C(C=C(C=C2)S(=O)(=O)NC(C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)F)C(=O)N(C1=O)C 1 2.448 4 5 0 -23.5988968477458 9551291 C1CN(CCN(C1)S(=O)(=O)C2=CC=C(S2)Br)CC(=O)NC3=CC=C(C=C3)Cl 1 2.622 3 3 -13.8929817304147 9551212 CC1CCN(CC1)CCCNC(=O)CCCNC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCCC4 1 2.185 5 3 0 -34.6329471545686 9551207 CCOC(=O)CNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC 1 3.428 2 6 0 -12.1515119465021 9551203 CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)N4CCN(CC4)C(=O)C5=CC=CO5)C6CCCCC6 1 3.232 4 4 0 -7.22696988123695 9550835 CC\1=NN(C(=O)/C1=C/NCCN2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.184 6 4 0 -11.9233214165784 9550677 CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CS5 1 3.478 3 4 0 -8.46921264748032 9550675 CCCN(CCC)CCCNC(=O)C1C(N(C(=O)C2=CC(=C(C=C12)OC)OC)C)C3=CC=CS3 1 3.588 3 4 0 -16.5454494664247 9550670 C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C4=C(C=N3)C5=CC=CC=C5N4CC6=CC=C(C=C6)F 1 2.656 7 2 0 -5.19285455545274 9550604 C1CN(CCN1CCNC=C2C(=O)CC(CC2=O)C3=CC=CC=C3)C(=S)NC4=CC(=CC=C4)Cl 1 4.483 4 2 -17.7413054563055 9550592 CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C=CS3)N=C2SCC(=O)OCC4=CC=CC=C4 1 3.843 3 5 0 -29.6527810636229 9550579 CCCCN(CCCNC(=O)C1=CC2=C(C=C1)N=C(S2)N3CCOCC3)CC4=CC=CC=C4 1 4.006 4 2 -7.75947087753111 9550525 CC1CCC2=C(C1)C(=C3C=C(C=CC3=N2)S(=O)(=O)N4CCC(CC4)C(=O)N5CCCCC5)C(=O)O 1 3.338 3 5 0 -21.9127113249567 9550424 C1CCC(=CC1)CCNC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCCC(=O)NC4CCCC4 1 3.851 4 4 0 -22.2100129782722 9550422 CCOC(=O)N1CCC(CC1)NC(=O)CN(C)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl 1 -0.177 4 7 0 -13.2491379901393 9550329 CC1(C2=C(C=CC(=C2)C(=O)OC)[N+](=C1/C=C/C3=C(C(=C(C=C3)OC)OC)OC)C)C.[I-] I- 1 4.522 1 5 2.02572568475087 9550296 COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)OC 1 2.525 2 5 0 -14.1056169214058 9550172 CCCCCOC1=CC2=C(C=C1)OC(=O)C3=C2CCCN3C(=O)CN4CCCC(C4)C(=O)OCC 1 4.007 2 6 0 -14.2198243024269 9550001 C[C@]12CC(N(C1NC(=O)C2)C(=O)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=C4OC(=O)C5=CC(=CC=C5)C(F)(F)F 1 6.001 2 4 -9.5602818384859 9549979 COC(=O)C1=C(SC2=C1CCN(C2)C3=C(C=C(C=N3)C(F)(F)F)Cl)/N=C/NOCC4=CC=C(C=C4)Cl 1 5.761 4 3 0 -0.433113562893974 9549536 C1CN(CCN1CC#CCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5.Cl Cl- 1 4.744 3 2 -6.16800910014917 9549171 C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C 1 0.92 1 15 0 -34.4394483662273 9500143 CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)Cl)C4=C(S2)C(=O)N(N=N4)C5=CC=C(C=C5)C(=O)C)C 1 6.02 4 4 0 -13.4412992631018 6623033 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC4=C(C=C3)N=C(C(=O)N4)C5=CC=CC=C5NC(=O)C 1 3.535 5 3 0 -17.8043624506 5777516 C/[N+](=C/C1=C(C=CC2=CC=CC=C21)OCC3=C(C=C(C=C3)Cl)Cl)/[O-] 1 4.725 1 2 7.30704065457338 5771734 CCOC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CS4)/O)Cl 1 3.023 3 4 0 -7.12506901147904 5771730 CCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(=O)N2CCCN(C)C)OC 1 2.893 2 5 0 -12.8131804081909 5771715 CC1=CC(=NO1)N2C(/C(=C(\C3=CC=C(C=C3)OC(C)C)/O)/C(=O)C2=O)C4=CC=C(C=C4)C(=O)OC 1 3.656 2 7 0 -12.7354972945985 5771713 CC1CN2/C(=C\3/C=C4C=CC=CC4=CC3=O)/NN=C2S1 1 2.178 3 1 -10.1191234255914 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-19.689896348103 5742510 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4 1 2.533 3 4 0 -10.2635232168475 5742507 CC1CCN(CC1)C(=O)C(CCSC)NS(=O)(=O)/C=C/C2=CC=CC=C2 1 1.929 2 3 0 -14.1783822090729 5742503 CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N 1 4.318 5 3 0 -16.1493338239795 5742493 CN\1C2=C(N/C1=C/3\C=C(C=C(C3=O)OC)Br)N(C(=O)NC2=O)CC4=CC=CC=C4 1 1.79 4 4 0 -1.85693653243228 5742492 CC1=CC(=C(N1C2=CC=CC=C2Cl)C)C3N=C(N=C4N3C5=CC=CC=C5N4)N 1 3.781 6 0 -4.88125777643062 5742477 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C4N=C(N=C5N4C6=CC=CC=C6N5)N 1 4.076 7 0 0 2.77243469853263 5742474 CCOC(=O)C1CCCN(C1)CC(=O)/C(=C\2/NC(=CS2)C3=CC=C(C=C3)Cl)/C#N 1 3.028 3 3 -4.32275434482773 5742468 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4 1 0.361 5 4 0 -7.32704576408499 5742458 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)/C(=C(\C)/N)/C#N 1 1.327 3 5 0 -27.2562609049701 5742457 COCCCN1C(/C(=C(/C2=CC=C(C=C2)OC)\O)/C(=O)C1=O)C3=CC(=C(C=C3)O)OC 1 2.032 1 7 0 -7.27304097176906 5741986 COC1=C(C=C(C=C1)C2CC(N3C(=N2)C=C(N3)C(=O)NCCCN4C=CN=C4)C(F)(F)F)OC 1 0.921 6 3 0 -8.37666651017916 5741928 C1C(N=C2C=C(NN2C1C(F)(F)F)C(=O)NC3=C(C=CC(=C3)Cl)O)C4=CC5=C(C=C4)OCO5 1 2.917 4 4 0 0.793702036413065 5741761 CC(C1=CC2=C(C=C1NC(=O)C3=CNN4C3=NC(CC4C(F)(F)F)C5=CC=CO5)OCO2)O 1 1.286 4 5 0 -10.1441473624947 5741204 C1C(N=C2C(=CNN2C1C(F)(F)F)C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4 1 0.684 6 1 0 -6.30961831035449 5741158 CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)C3=CNN4C3=NC(CC4C(F)(F)F)C5=CC=CC=C5 1 3.324 6 1 0 -6.73317181101806 5741118 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CNN4C3=NC(CC4C(F)(F)F)C5=CC=CC=C5 1 1.549 6 2 0 -15.8476246335201 5741109 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CNN4C3=NC(CC4C(F)(F)F)C5=CC=CS5 1 1.209 5 3 0 -7.73363066175196 5740501 CC1=C(C=NN1C)CNC(=O)C2=CNN3C2=NC(CC3C(F)(F)F)C4=CC=C(C=C4)Br 1 2.007 6 1 0 -6.82683444280785 5739357 CCOC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=C(C=CC(=C3)OC)OC)/O)Cl 1 3.478 2 6 0 -9.05943515183742 5739326 CCN(CC)CCCN1C(/C(=C(/C2=CC3=C(C=C2)OCO3)\O)/C(=O)C1=O)C4=CC=CC=N4 1 2.214 3 5 0 -8.39950109538974 5739239 CC1=CC(=NO1)N2C(/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C2=O)C4=CC(=CC=C4)Br 1 4.504 2 4 -6.87093652306197 5739221 CCOC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=C(C(=CC=C3)OC)OC)/O)Cl 1 3.478 2 6 0 -11.6913838679209 5739212 CCN(CC)CCCN1C(/C(=C(/C2=C(N(N=C2)C3=CC=CC=C3)C)\O)/C(=O)C1=O)C4=CC=NC=C4 1 2.496 5 3 0 -5.48382859101244 5739176 CN(C)CCCN1C(/C(=C(/C2=CC3=C(C=C2)OCO3)\O)/C(=O)C1=O)C4=CC=CC=N4 1 1.516 3 5 0 -6.83790785462295 5739140 CN(C)CCN1C(/C(=C(/C2=CC3=C(C=C2)OCO3)\O)/C(=O)C1=O)C4=C(C(=CC=C4)OC)OC 1 2.25 2 7 0 -12.5504471133232 5739139 CCN(CC)CCCN1C(/C(=C(/C2=C(NC(=C2C)C(=O)OCC)C)\O)/C(=O)C1=O)C3=CN=CC=C3 1 2.345 4 5 0 -13.4089777021657 5739014 C1COCCN1CCSC2=NC3=C(C4=C(N3)C=CC(=C4)Br)N=N2.Cl Cl- 1 3.342 5 1 -8.44084061853814 5738882 CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CN=CC=C3)C(=O)NC4=CC=CC=C4OC 1 0.384 6 3 0 -16.4075240401766 5738775 CCOC1=CC=C(C=C1)C2CC(N=C3N2NC(=N3)N)C4=CC=C(C=C4)Br 1 3.652 5 1 0.549052284519298 5738774 CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5OC 1 1.303 5 5 0 -19.0595771209289 5738492 CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CCCOC)C4=CN=CC=C4)/O 1 1.592 2 5 0 -9.00574821378016 5737472 CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCC3C)C4=CC(=C(C=C4)OC)OC 1 4.394 1 7 0 -3.79581830708736 5733089 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2Cl)/C(=O)NCCCN3C=CN=C3 1 2.463 4 2 -15.3991552427873 5730326 C1CC2CC1CC2NC(=O)/C=C/C3=CC=CC=C3 1 3.107 1 1 -3.51036254883097 5721683 COC1=C(C(=CC(=C1)Br)CN2CCN(CC2)C/C=C/C3=CC=CC=C3)O 1 4.402 2 2 11.3354625993396 5717129 CC[N+]1=C(SC2=CC=CC=C21)/C=C/C=C/N(C3=CC=CC=C3)C(=O)C.[I-] I- 1 4.418 2 1 16.0884548820887 5735417 CC1=CC(N2C(=N1)N=CN2)C3=CC=C(C=C3)Cl 1 1.495 4 0 0 -0.844592417073601 5711795 CCOC1=CC=CC=C1C2C(=C(N=C3N2NN=N3)C)C(=O)NC4=CC=CC=C4OC 1 3.413 6 3 0 -21.7300974815936 5702273 CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O.Cl Cl- 1 2.37 2 1 -1.63818494293749 5702223 CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl Cl- 1 5.123 1 0 5.80223348308987 5702214 CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC.Cl Cl- 1 1.384 2 4 0 -15.5061224172035 5702174 CC1(O[C@@H]2CC3C4C[C@@H](C5=CC(=O)C=CC5(C4C(CC3([C@@]2(O1)C(=O)CO)C)O)C)F)C 1 0.866 0 6 0 0.444199041006677 5702162 CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 5.39 1 0 -0.951099813815727 5702144 CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O.Cl Cl- 1 2.969 3 1 -2.51057232146749 5702129 CC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=CC=CC=N3.Cl Cl- 1 4.075 2 0 -9.79267868650804e-002 5702098 CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl Cl- 1 3.73 1 2 0.254232382821814 5685112 C1CCC(CC1)N2C(=NN=C2SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)CC5=CC=CS5 1 5.386 6 1 0 -20.74834425006 5684187 C1=COC(=C1)CNC(=O)CSC2=NC(=O)C3=C(N2)N=C(C=C3C(F)(F)F)C4=CC=CS4 1 4.086 4 3 0 -18.3418511907243 5683136 CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)C5=CC=NC=C5 1 4.451 7 1 0 -12.4451817483837 5677269 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N 1 2.112 4 6 0 -27.9452863480967 5676039 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=C(N2)N=C(C=C3C(F)(F)F)C4=CC=CS4 1 4.018 5 3 0 -15.4058244010607 5652489 CCC1=NN=C(S1)NC(=O)CSC2=NN/C(=C\3/C=CC=CC3=O)/N2C4=C(C=C(C=C4)C)C 1 4.025 6 2 0 -24.8043180333219 5650414 C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN/C(=C\4/C=CC=CC4=O)/N3C5=CC=CC=C5)C#N 1 4.699 5 2 0 -31.3304648164002 5665562 CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)/C(=C\3/NC(=CS3)C4=CC=C(C=C4)Cl)/C#N 1 4.179 4 2 -2.34666231384197 5665572 COC1=CC=CC=C1N2CCN(CC2)CC(=O)/C(=C\3/NC(=CS3)C4=CC=CC=C4)/C#N 1 3.165 4 2 -3.67283333235357 5663660 CCOC(=O)C1=C(/C(=C\2/C(=CC(=CC2=O)C)O)/NN1)C3=CSC(=N3)C 1 0.566 3 4 0 -6.71715137874712 5600863 C1=CC=C(C=C1)/C(=C/C(=O)C(=O)NNC(=O)C2=CC=CC=C2N)/O 1 0.931 3 4 0 -6.0478169686895 5579970 CNS(=O)(=O)C1=CC=C(C=C1)N/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=CC=C3 1 0.899 4 5 0 -11.7816342261058 5567857 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C\3/C4=CC=CC=C4C(=O)N(C3=O)CC5=CC=CO5 1 1.73 4 4 0 -14.0070625901704 5512458 COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(NC4=CC=CC=C43)C(=O)OC)/C(=O)NC2=O 1 3.07 3 6 0 -4.60169876768482 5504281 CC\1=CC(=NC(=O)/C1=C\2/C=C(NO2)C(F)(F)F)C 1 1.133 2 2 0 -3.75217990727696 7197655 CN1C(=C(C(=O)N(C1=O)C)S(=O)(=O)NCC2=CC=CC=C2)N 1 -0.621 4 4 0 -9.6855533802068 6930798 CN([C@@H]1[C@@H](COC2=C1C=CC=C2OC)CO)C(=O)NC3=CC=CC=C3 1 2.067 2 4 -2.24552265709324 6917803 C1=CC=C(C=C1)NC2=NC3=C(C(=N2)N)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O 1 -0.447 6 4 0 -11.8823998161246 6917789 CNCCCCOC1=CC=CC=C1CC2=CC=CC=C2.Cl Cl- 1 4.033 1 1 0.315186584908519 6917728 CCC1=CC(=C(C(=C1O)C(=O)NC[C@@H]2CCCN2CC)OC)Cl.Cl Cl- 1 3.363 2 3 -9.81383737291971 6917697 CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F.O H2O 1 2.785 3 4 0 0.655706255115807 6879271 CC1=CC2=C(C=C1)OC(=O)/C(=C/C(=O)C(C)(C)C)/N2 1 3.233 1 3 -6.12603695669278 6852406 CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.Cl Cl- 1 0.823 1 4 0 -7.75254352339326 6852404 CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C 1 4.217 0 3 -12.246409231991 6852403 CC(C)C[C@H]1C(=O)N2CCCC2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O 1 3.795 5 5 0 -7.23762555250607 6852402 CC[C@H](CO)NCCN[C@H](CC)CO.Cl Cl- 1 0.11 2 2 0 -0.642794171762221 6852401 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6CC(=O)OC6)O)CO)O)O)O)O 1 -2.41 0 12 0 -10.4506520103825 6852400 CC(C)(C)[C@@]1(CCN2C[C@H]3C4=CC=CC=C4CCC5=C3C(=CC=C5)[C@@H]2C1)O.Cl Cl- 1 4.713 1 1 2.6227551288224 6852391 CCCC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-] Br- 1 0.797 1 4 0 -11.1967564865491 6799996 CC(=NNC(=O)C(C1=CC=CC=C1)OC)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)C(=O)OC 1 4.473 3 4 0 -14.1191225639042 4966962 CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)NC4=CC=CC=C4OC 1 6.416 3 2 -16.4935071858481 4965560 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F 1 3.233 3 5 0 -24.5030359276909 4906885 CC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)CC4=CC=CC=C4)C)C5=CC(=C(C=C5)OC)OC 1 4.396 5 2 0 -2.67922649304117 4904159 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CC5=CC=CC=C5F)C(=O)NC(=O)N4C 1 4.53 6 2 0 -1.77469907673359 4896058 COC1=CC(=C(C=C1)OC)C2CC(=O)N3CN(CSC3=C2C#N)C4=C(C=C(C=C4)OC)OC 1 3.779 3 5 0 -12.7509016289521 4893183 COC1=C(C=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)CC4=CC=CO4)OCC5=CC=CC=C5 1 4.489 3 4 0 -14.4396661463629 4891591 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)F)CCOC 1 1.871 6 3 0 -12.0774263908668 4891533 COC1=CC(=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=C(C=C4)OC)OC)OC 1 3.779 3 5 0 -14.8893437460728 4890630 COC1=CC=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=CC=C4F 1 4.034 3 2 -7.27519620484021 4889592 COC1=CC(=C(C=C1)OC)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC(=CC=C4)Cl 1 4.477 3 3 -6.64381148919108 4888749 COC1=CC(=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=C(C=C4OC)OC)OC)OC 1 3.763 3 6 0 -16.3870632378695 4888431 CCC1CCCCN1C2=NC3=C(N2CCSC4=NC5=CC=CC=C5O4)C(=O)N(C(=O)N3C)C 1 4.06 6 3 0 -14.8810755355506 4886052 CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC(=CC=C4)Cl)CC5=CC=CC=C5Cl 1 4.502 6 2 0 0.549273173463334 4884842 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CCC3=CC=CC=C3)SC(C)C(=O)N 1 3.465 5 3 0 -19.9253775868201 4876664 CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)OC(C)C(=O)C2=CC=CC=C2)C(=O)OC 1 1.738 1 7 0 -17.0921002217717 4870002 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 2.329 3 6 0 -22.7883805191507 4859802 CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC(=CC=C5)Cl 1 3.822 6 3 0 -0.600372377240768 4839391 CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)NC4=CC=CC=C4CC5=CC=CC=C5 1 4.464 4 4 0 -24.5485458134007 4837659 CCOC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)N(C(=CC(=O)OCC)S3)CC(=O)NCC4CCCO4 1 3.249 2 6 0 -10.4655637185193 4837656 CCC(C)N1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.288 5 5 0 -32.8235231582585 4835234 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 0.945 4 6 0 -21.0512921610594 4833562 CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 3.83 2 6 0 -24.1168983126196 4833543 CN1C(=NN=C1SCC(=O)NCCNC(=O)CSC2=NN=C(N2C)C(F)(F)F)C(F)(F)F 1 1.602 8 2 0 -15.679222771819 4832852 CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C4=NN=C(SC4)NCCC5=CC=CC=C5 1 4.312 6 1 0 -13.2930823303556 6615967 COC1=CC(=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC2=S)OC 1 2.61 4 5 0 -27.573336438208 6604822 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1=CC=C(C=C1)O 1 7.352 1 2 -4.86153887931382 6604009 CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C 1 6.142 2 1 -1.54999151945714 6603874 C[C@@]1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3 1 4.817 0 4 -10.4519893813551 6603673 COC1=CC=C(C=C1)C(C2=NN=NN2CC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5.Cl Cl- 1 4.322 6 1 0 -13.1972708741982 6603671 C1CCN(CC1)CCSC2=NN=C(N2CC3=CC=CO3)COC4=CC=C(C=C4)Cl.Cl Cl- 1 4.729 4 2 -6.31020384132365 6603667 CC1=C(C(=CC=C1)N2CCN(CC2)C(C3=CC=C(C=C3)OC)C4=NN=NN4CC5CCCO5)C.Cl Cl- 1 4.07 6 2 0 -14.5451496398649 6603659 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)Cl.Cl Cl- 1 2 3 5 0 -15.6768130630742 6603647 CC1=CSC(=N1)NCC(=O)C2=C(N(C3=C2C=C(C=C3)OC)C)C.I I- 1 2.33 3 2 -1.63290977168343 6603643 CCOC(=O)CNC1=C2C(=NC3=C(N=CN=C3S2)N(C)C)CC(C1)(C)C.Br Br- 1 2.196 5 2 0 -15.6815392748036 6603642 CC1=NN(C2=C1C(=CC(=N2)C3=CN=CC=C3)C(F)(F)F)CCC(=O)O.Cl Cl- 1 2.479 4 2 -6.7165139077234 6603641 C1COCCN1CCN2C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4Br.Br Br- 1 3.317 4 1 -3.34123061044598 6603638 COC1=CC=CC=C1N2CCN(CC2)CC3=NN=NN3CCC4=CC=CC=C4.Cl Cl- 1 2.924 6 1 0 -16.4355967183196 6603626 C1COCCN1CC(COC2=CC(=CC=C2)OCC(CN3CCOCC3)O)O.Cl Cl- 1 0.428 2 6 0 -6.32457084238918 6603624 C1CCC(C1)N2C(=O)CN=C2NC3=CC=CC(=C3)C(F)(F)F.Cl Cl- 1 3.227 3 1 1.53778284123182 6603618 CC1=NN(C2=C1C=C(S2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6.Cl Cl- 1 4.1 4 3 0 -10.0612156586337 6603610 CN(C)CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)C4=CC=C(C=C4)N.Cl Cl- 1 3.377 4 2 -8.32888786043925 6603609 C1CC2=CC=CC=C2N(C3=C1C=CC(=C3)NC(=O)CCN4CCOCC4)C(=O)CN5CCOCC5.O.Cl Cl- H2O 1 2.089 4 4 0 -10.5857599135921 6603603 CCC1=NC2=C(C(=N1)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C)OC5=CC=CC=C52.Cl Cl- 1 3.436 5 2 0 3.68810032222274 6603585 CCCCCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC=C3OC)O.Cl Cl- 1 4.049 3 3 -8.15938735673518 6603560 CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CN3N=C(N=N3)C4=CC=CC=C4.Cl Cl- 1 3.095 7 3 0 -5.07031577326579 6603558 CCCN1C(=C2C=CC=CC2=N1)P(=N)(N3CCOCC3)N4CCOCC4.Cl Cl- 1 1.261 5 2 0 -3.48163890796692 6603548 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NCCCN(C)C.Cl Cl- 1 1.609 5 2 0 -3.65074943505968 6603523 C1=CC=C(C=C1)C(=O)N=C2N=C3C=CC=CN3S2.Br Br- 1 1.986 3 1 0 -9.45342382937154 6603515 CN1CCCC(C1)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)OC)OC.Cl Cl- 1 2.768 2 6 0 -14.9056340234128 6603512 CC1=C2C(=CC(=O)N=C2N(N1)CCC3=NC(=CS3)C4=CC=CO4)C(F)(F)F.Br Br- 1 2.468 4 2 -0.537849425526285 6603498 CC1=CC=C(C=C1)N(CC(CN2CCCC2)O)S(=O)(=O)C3=CC=C(C=C3)C.Cl Cl- 1 3.585 2 3 -8.22316369159728 6603496 CC1=CC=CC2=C1N=C(C(=C2)C#N)SCCN3CCCCC3.Cl Cl- 1 4.518 3 0 -3.70713196872079 6603482 CC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)C(=O)C4=CC=CC=C4)C(=O)OC.Cl Cl- 1 2.764 4 4 0 -8.33124217450256 6603477 CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)OCO2.Cl Cl- 1 3.036 3 4 0 -1.58162989678976 6603466 C1=CC=C(C=C1)COCC2=C3C=CC=NC3=C(C=C2)O.Cl Cl- 1 3.161 1 2 3.73283392878625 6603463 COCCN1C(=NN=N1)C(C2=CC=CC=C2OC)N3CCN(CC3)C4=CC=CC=C4F.Cl Cl- 1 2.813 6 2 0 -16.3004789369926 6603460 CCN1CCN(CC1)C(C2=C(C=CC(=C2)OC)OC)C3=NN=NN3CC4=CC=CC=C4.Cl Cl- 1 2.982 6 2 0 -17.0424128334974 6603456 C1CN(CCN1C2=CC=C(C=C2)O)C(C3=CC=CS3)C4=NN=NN4CCC5=CC=CC=C5.Cl Cl- 1 4.371 6 1 0 -9.38557448643513 6603454 CCCC1=NN=C2N1N=C(CS2)C3=CC(=C(C=C3)OC)OC.Br Br- 1 3.146 4 2 -8.55280382349027 6603448 C1COCCN1CCCN(C2=NC(=CS2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4.Cl Cl- 1 3.713 3 3 0.166613429345476 6603437 COC1=CC=C(C=C1)N2CCN(CC2)C(C3=C(C(=CC=C3)OC)OC)C4=NN=NN4C5CCCC5.Cl Cl- 1 4.108 6 3 0 -18.598735658925 6603425 COCCN1C(=NN=N1)C(C2=CC(=C(C=C2)O)OC)N3CCC4=CC=CC=C4C3.Cl Cl- 1 2.394 5 3 0 -16.0492629340303 6603404 COC1=C(C(=CC=C1)OC)OCC(CN2CCN(CC2)C3=CC=CC=C3)O.Cl Cl- 1 3.038 2 4 -1.66343513471755 6603386 C1COCCN1C(CNC(=O)C2=CC=C(O2)Br)C3=CC=C(C=C3)F.Cl Cl- 1 2.645 2 3 -14.6048096775797 6603385 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3.Cl Cl- 1 2.138 3 4 0 -21.8653445499951 6603382 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(C3=CC=NC=C3)C4=NN=NN4CC5=CC=CC=C5.Cl Cl- 1 4.16 7 0 0 -13.7900684377738 6603378 CSCC[C@H](C(=O)O)NC1=NC(=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4.Cl Cl- 1 3.771 3 3 -2.1303378428103 6603352 CCN(CC)CCNCC1=C(C2=CC(=C(C=C2N1C)Br)OC)C(=O)OCC.Cl Cl- 1 3.717 3 3 -4.18911543192347 6603347 C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)CNCCNC(=O)C3=NON=C3N)F.Cl Cl- 1 2.77 5 3 0 -12.3074020394907 6603329 C1CN2C3=CC=CC=C3N(C2=N1)CC(=O)C4=CC=C(C=C4)Br.Br Br- 1 3.188 3 1 -8.79028948352194 6603328 CN1CCN(CC1)C(C2=CC=C(C=C2)Cl)C3=NN=NN3CCC4=CC(=C(C=C4)OC)OC.Cl Cl- 1 3.619 6 2 0 -14.8636298704554 6603326 CCCCC(C1=NN=NN1CS(=O)(=O)C2=CC=C(C=C2)C)N3CCN(CC3)C4=CC=CC=C4.Cl Cl- 1 4.6 6 2 0 -19.1245813701972 6603325 C1CCC(CC1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=NN=NN4CC5=CC=CO5.Cl Cl- 1 3.912 6 1 0 -11.6916225313553 6603322 COC1=CC=CC=C1C(C2=NN=NN2CC3=CC=CC=C3)N4CCN(CC4)C5=NC6=CC=CC=C6S5.Cl Cl- 1 4.328 7 1 0 -13.7501303018358 6603318 C1CC(OC1)CN2C(=NN=N2)C(C3=CC=CC=C3F)N4CCN(CC4)C(=O)C5=CC=CO5.Cl Cl- 1 1.966 6 3 0 -25.0339551438756 6603315 COC1=CC(=C(C=C1)OC)C(C2=NN=NN2C3CCCC3)N4CCN(CC4)C5=CC=CC=C5.Cl Cl- 1 4.124 6 2 0 -18.3886356627491 6603300 CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)C=C(S2)C(=O)OC)CCCN3CCOCC3.Cl Cl- 1 2.415 3 6 0 -10.5566083402634 6603295 COC1=CC=CC=C1OCC(CN2C3=CC=CC=C3N(C2=N)CC=C)O.Cl Cl- 1 2.881 3 3 -11.9327616885404 6603288 CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CN3CCOCC3.Cl Cl- 1 2.952 3 4 0 -0.5314319261504 6603276 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)Cl.Cl Cl- 1 2.019 3 4 0 -22.5684161401609 6603274 C1=CC=C(C=C1)C2=NC(=CS2)CSC3=NN=NN3C4=CC=CC=C4.Br Br- 1 3.979 5 0 -10.565624355608 6603272 CCN\1C(=CS/C1=C(\C#N)/C2=NN=C3N2CCCCC3)C4=CC=C(C=C4)OCC.Br Br- 1 3.957 5 1 -8.40931266337321 6603263 C1CN(CCN1CC(COC2=CC=C(C3=CC=CC=C32)Cl)O)C4=CC=CC=N4.Cl Cl- 1 4.032 3 2 -0.128909939618445 6603217 C1CCC(CC1)N2C=NC3=C2C=CC(=C3)NCC4=CC=CC=N4.Cl Cl- 1 3.866 4 0 -5.56133282887148 6603215 CCOC1=CC=C(C=C1)C2=CS/C(=C(\C#N)/C3=NN=C4N3CCCCC4)/N2CC=C.Br Br- 1 4.225 5 1 -13.367876875828 6603206 C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)CNCCNC(=O)C3=NON=C3N)F.Cl Cl- 1 2.77 5 3 0 -10.4922866345518 6603199 CCN1CCCC1CNCC2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 3.673 2 0 -0.913065428829686 6603193 CCN(CC)CCN1C2=CC=CC=C2N=C1NCC3=CC(=CC=C3)OC.Cl Cl- 1 3.832 4 1 -4.79822861309344 6603190 CCN1C2=CC=CC=C2N=C1N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F.Cl Cl- 1 3.51 4 2 -10.9645832462138 6603187 COC1=C(C=C(C=C1)CCN2C(=NN=N2)C(C3=CC=C(C=C3)Cl)N4CCN(CC4)CC=C)OC.Cl Cl- 1 4.236 6 2 0 -19.4693501425144 6603165 COC1=C(C=C(C=C1)C(C2=NN=NN2CC3=CC=CS3)N4CCN(CC4)C5=CC=CC=C5F)OC.Cl Cl- 1 4.251 6 2 0 -15.1997159863132 6603161 COC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CCN5CCCC5C4.Cl Cl- 1 3.486 4 3 0 4.54896786223612 6603157 CN(C)CCCN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)C3=CC=CS3.Cl Cl- 1 3.902 3 2 -3.84757186638845 6603149 CNCCCC1C2=CC=CC=C2C=CC3=CC=CC=C13.Cl Cl- 1 4.041 1 0 0.258540074771601 6603134 COC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4)O.Cl Cl- 1 3.847 3 3 -1.19659436541881 6603115 CCC(C)(C)N1C(=NN=N1)C(C2=CC(=C(C=C2)OC)OC)N3CCN(CC3)C4=CC=C(C=C4)OC.Cl Cl- 1 4.161 6 3 0 -11.706514557829 6603114 CCC(C)(C)N1C(=NN=N1)C(C2=CC(=C(C=C2)OC)OC)N3CCN(CC3)C4=CC=C(C=C4)F.Cl Cl- 1 4.383 6 2 0 -10.750444172129 6603110 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(C3=CC=CS3)C4=NN=NN4CCOC.Cl Cl- 1 3.55 6 1 0 -14.4530098922958 6603105 CCOC(=O)C1=CC=C(C=C1)NC2=NN=C(C=C2)C3=CC(=C(C=C3)OC)OC.Cl Cl- 1 3.782 3 4 0 -5.38407246296036 6603103 COC1=C(C=CC(=C1)C(C2=NN=NN2C3CCCC3)N4CCC5=CC=CC=C5C4)O.Cl Cl- 1 3.927 5 2 0 -18.4720410893039 6603100 CCN1CCN(CC1)C(C2=CC=CC=C2)C3=NN=NN3CCC4=CC(=C(C=C4)OC)OC.Cl Cl- 1 3.304 6 2 0 -20.1079903699482 6603099 CCCC(C1=NN=NN1CC2CCCO2)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C.Cl Cl- 1 4.01 6 1 0 -19.8044177426839 6603094 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)NC(=O)CN3CCOCC3)Cl.Cl Cl- 1 2.282 3 4 0 -9.67627536358052 6603093 CC(C)(C)N1C(=NN=N1)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 3.551 6 0 -7.35338351749476 6603092 COCCN1C(=NN=N1)C(C2=C(C(=CC=C2)OC)OC)N3CCN(CC3)C4CCCCC4.Cl Cl- 1 2.778 6 3 0 -16.901812203368 6603089 CN1CCN(CC1)C(C2=CC(=C(C(=C2)OC)OC)OC)C3=NN=NN3C4CCCC4.Cl Cl- 1 2.436 6 3 0 -21.214232232379 6603086 CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C)C.Cl Cl- 1 4.223 3 3 -3.05520469998251 6603075 CC1=CC=C(C=C1)C(C2=NN=NN2CC3CCCO3)N4CCN(CC4)C5=CC=CC(=C5C)C.Cl Cl- 1 4.572 6 1 0 -14.3204800250546 6603071 CC(C)CC(C1=NN=NN1CC2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4OC.Cl Cl- 1 3.971 6 1 0 -19.4176589018972 6603066 CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2CCN(CC2)C3=C(C=CC(=C3)C)C.Cl Cl- 1 4.223 3 3 -5.84629755500604 6603065 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3CCCC3.Cl Cl- 1 0.486 4 4 0 -24.6305741473963 6603056 CC1=CC(=C(C=C1)C)N2CCN(CC2)CC3=NN=NN3C4CCCCC4.Cl Cl- 1 3.867 6 0 -15.2562697892476 6603054 CN1CCN(CC1)C(C2=CC=CC=C2)C3=NN=NN3CCC4=CC(=C(C=C4)OC)OC.Cl Cl- 1 2.955 6 2 0 -18.5013344664974 6603053 COCCN1C(=NN=N1)C(C2=CC=C(C=C2)OC)N3CCN(CC3)C4=CC=CC=C4F.Cl Cl- 1 2.813 6 2 0 -13.8514634063313 6603049 CC(C)CC(C1=NN=NN1CC2CCCO2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.Cl Cl- 1 2.79 6 3 0 -22.8377827201903 6603047 COC1=CC=C(C=C1)C(C2=NN=NN2CC3CCCO3)N4CCN(CC4)C5=CC=C(C=C5)F.Cl Cl- 1 3.303 6 2 0 -17.1062867046245 6603046 CC1=CC=C(C=C1)C(C2=NN=NN2CCC3=CC(=C(C=C3)OC)OC)N4CCN(CC4)C.Cl Cl- 1 3.441 6 2 0 -16.6856285610423 6603045 C1CCC(C1)N2C(=NN=N2)C(C3=CC=C(C=C3)F)N4CCN(CC4)CC5=CC=NC=C5.Cl Cl- 1 3.123 7 0 0 -15.8688089477501 6603039 CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN4CCN5CCCC5C4)C=C1.Cl Cl- 1 3.899 4 3 0 -0.557521612118337 6603036 C1COCCN1CC(CCC(CN2CCOCC2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4.Cl Cl- 1 3.577 2 4 -6.13225336757139 6603028 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(C4=CC=CS4)C5=NN=NN5CCC6=CC=CC=C6.Cl Cl- 1 4.293 6 2 0 -12.8431933206403 6603014 CC(C)(C1=CC=C(C=C1)OCC(CN(C)C)O)C2=CC=C(C=C2)OCC(CN(C)C)O.Cl Cl- 1 3.485 2 4 0.460527260534814 6603011 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN(C)C)O)C2=CC=CC=C2.Cl Cl- 1 2.637 2 3 -4.78094951974752 6603010 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CCOCC2)O)C3=C(C=CC(=C3)Cl)Cl.Cl Cl- 1 3.654 2 4 -9.14329536063141 6603009 C1COCCN1CC(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)O.Cl Cl- 1 2.747 2 4 -11.3620561446167 6603005 COC1=C(C=C(C=C1)C(C2=NN=NN2CCC3=CC=CC=C3)N4CCN(CC4)C5CCCC5)OC.Cl Cl- 1 4.357 6 2 0 -15.6630371913179 6602988 COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 1.587 3 5 0 -11.7845946352477 6602983 COC1=C(C=C(C=C1)CC(=O)NC2CCN(CC2)CC(=O)N3CCCC4=CC=CC=C43)OC.Cl Cl- 1 2.524 3 4 0 -17.3315320533833 6602972 CN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C3=CC=CC=C3.Cl Cl- 1 2.621 3 3 -9.02555511059277 6602950 COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=C(C=C(C=C3)OC)CC=C)O.Cl Cl- 1 4.046 2 4 -3.78819735003486 6602947 C1CC(CN(C1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)O.Cl Cl- 1 3.919 2 2 8.02977871137911 6602942 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)CN3CCN(CC3)C4=CC=CC=C4OC)C.Cl Cl- 1 2.51 7 2 0 -7.86597762020237 6602938 CCCOC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O.Cl Cl- 1 3.05 2 5 0 -11.2793075704716 6602933 C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O.Cl Cl- 1 3.758 2 4 -7.07266927929009 6602908 C1COCCN1CCN2C(SCC2=O)C3=CN(N=C3C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6.Cl Cl- 1 3.448 4 4 0 -5.96577161133713 6602902 C1=CC=C(C=C1)CC2=NN=C(O2)S/C=C(/C3=CC=C(C=C3)Br)\O.Br Br- 1 3.976 2 2 -8.97528279177322 6602897 COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)O.Cl Cl- 1 1.859 3 6 0 -18.0535465596555 6602886 C=CCN\1C(=CS/C1=C(\C#N)/C2=NN=C3N2CCCCC3)C4=CC=CC=C4.Br Br- 1 3.892 5 0 -12.663203931291 6602884 C1COCCN1CCCN2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=C(C=C4)Cl.Cl Cl- 1 2.358 4 2 -3.40568081646268 6602866 CC1C(NC(C(C1=O)C)C2=C(C(=C(C=C2)OC)OC)OC)C3=C(C(=C(C=C3)OC)OC)OC.Cl Cl- 1 3.599 1 7 0 -4.38309955899265 6602865 COC1=CC(=C(C=C1NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)OC)Cl.Cl Cl- 1 1.833 2 6 0 -9.99796878349155 6602840 CCN1C(=CSC1=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=C(C=CC(=C4)OC)OC.Br Br- 1 2.996 4 3 0 -13.6066646930398 6602833 C1=CC(=CC(=C1)CN2C=C(C=N2)Br)C(=O)NCC3=CC=NC=C3.Cl Cl- 1 2.452 4 1 -10.9937190020054 6602825 CCC1=NC2=C(C(=N1)N3CCN(CC3)C4=NC(=CC(=N4)C)C)OC5=CC=CC=C52.Cl Cl- 1 3.003 6 1 0 5.97644054849803 6602820 CCN(CC)CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C.Cl Cl- 1 2.728 1 4 -3.13611345921588 6602819 CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN(C)C)O)CSC3=CC=CC=C3)CN(C)C.Cl Cl- 1 4.446 2 4 1.87234358951843 6602812 CN1CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 3.521 3 0 2.01367904531272 6602796 CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2OC4=CC=CC=C43)C.Cl Cl- 1 2.696 3 3 0.84311810538541 6602783 COC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN4CCN5CCCC5C4)C=C1.O.Cl Cl- H2O 1 3.798 4 3 0 -0.84582825443481 6602782 CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C.Cl Cl- 1 3.097 4 3 0 8.32374997628021e-002 6602781 CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)N4CCN(CC4)C.Cl Cl- 1 3.292 4 3 0 1.5937221561789 6602780 CCN(CC)CC(=O)N1C2=CC=CC=C2C=CC3=C1C=C(C=C3)NC(=O)OCC.O.Cl Cl- H2O 1 3.705 3 3 -2.94819407575942 6602779 CCN(CC)CCCNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CC3=CC=CC=C3)O.Cl Cl- 1 3.656 3 3 -4.53796007170494 6602767 C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CO5.Cl Cl- 1 3.721 5 1 5.96324475426018 6602760 CC1=C(C=CC(=C1)OCC(CN2CCN(CC2)CCO)O)C(C)C.Cl Cl- 1 2.539 2 3 -1.5660456149982 6602749 CC1=NOC(=N1)COC2=CC=CC=C2OCC(CNC(C)(C)C)O.Cl Cl- 1 1.323 3 4 0 -10.1099093910328 6602747 COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNCC(C3=CC=CC=C3)O.Cl Cl- 1 3.287 1 4 1.76986436379701 6602741 CCOC(=O)C1=C(OC2=C1C(=C(C(=C2CN3CCN(CC3)C)Br)OC)O)C.Cl Cl- 1 3.004 2 5 0 1.14174038548182 6602715 CC(CN1CCN(CC1)C)OC(=O)C2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 3.487 2 2 2.07502173303042 6602697 CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)C)Br.Cl Cl- 1 2.4 3 3 -5.00816207492368 6602696 C1CN(CCN1CC(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)F)C4=NC=CC=N4.Cl Cl- 1 2.703 5 1 1.14807278559468 6602695 CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2CCN(C(C2)C)C3=CC=CC(=C3)C.Cl Cl- 1 4.114 3 3 -10.7694627079511 6602688 C1COCCN1CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=C(C=C4)Cl)Cl.Br Br- 1 3.57 4 2 -6.50223634601316 6602686 COC1=CC(=C(C=C1)OC)C(C2=NN=NN2CC3CCCO3)N4CCN(CC4)C5CCCC5.Cl Cl- 1 2.811 6 3 0 -19.8376088316556 6602683 C[C@@H]([C@@H](C1=C(C=CC(=C1)OC)OC)O)NC(C)(C)C.Cl Cl- 1 2.132 1 3 -4.70854011498874 6602682 CCCN1C2=CC=CC=C2N=C1N3CCN(CC3)CC(=O)NC4=CC5=C(C=C4)OCCO5.Cl Cl- 1 2.887 5 3 0 -8.89495856970749 6602680 CN(C1=CC=CC=C1)C(C2=CC=C(C=C2)F)C3=NN=NN3CC4CCCO4.Cl Cl- 1 3.362 5 1 -18.257721396513 6602677 COC1=CC(=C(C=C1)OC)C(C2=NN=NN2CC3=CC=CC=C3)N4CCN(CC4)C5CCCCC5.Cl Cl- 1 4.492 6 2 0 -14.892863836447 6602675 C1CN(CCN1CC2=CC=CO2)C(C3=CC=CC=C3F)C4=NN=NN4CC5=CC6=C(C=C5)OCO6.Cl Cl- 1 3.405 6 3 0 -15.4481085195864 6602673 C1CN(CCN1CC2=CC=CO2)C(C3=CC=CC=C3Cl)C4=NN=NN4CC5=CC=CO5.Cl Cl- 1 3.278 6 2 0 -12.9936383768165 6602665 CC1=CC=C(C=C1)C(C2=NN=NN2CC3=CC=C(C=C3)OC)N4CCN(CC4)C5CCCC5.Cl Cl- 1 4.538 6 1 0 -12.4437008580114 6602663 C1CN(CCN1CC(COC2=CC=CC=C2)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl Cl- 1 3.852 2 3 -12.2904831687839 6602650 C1CN(CCN1C(C2=CC=C(C=C2)F)C3=NN=NN3CC4=CC=CS4)C(=O)C5=CC=CO5.Cl Cl- 1 2.931 6 2 0 -18.8144571353445 6602633 COC1=CC=CC(=C1OC)C(C2=NN=NN2CC3=CC=CC=C3)N4CCN(CC4)C5CCCC5.Cl Cl- 1 4.036 6 2 0 -14.8629993798871 6602629 COC1=C(C=C(C=C1)C(C2=NN=NN2C3CCCC3)N4CCN(CC4)C5CCCC5)OC.Cl Cl- 1 3.854 6 2 0 -20.4913297740617 6602628 CC(C)C(C1=NN=NN1CC2CCCO2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.Cl Cl- 1 2.402 6 3 0 -18.4274722005381 6602627 COCCN1C(=NN=N1)C(C2=CC=CC=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.Cl Cl- 1 2.304 6 3 0 -17.4387594676352 6602621 COCCN1C(=NN=N1)C(C2=C(C=C(C=C2)OC)OC)N3CCN(CC3)C4=CC=CC=C4F.Cl Cl- 1 2.797 6 3 0 -13.5913199335852 6602620 COC1=CC(=C(C=C1)OC)C(C2=NN=NN2C3CCCC3)N4CCN(CC4)C5=CC=CC=C5F.Cl Cl- 1 4.33 6 2 0 -17.5541211210928 6602611 C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl Cl- 1 4.435 3 1 9.5809852587981 6602608 CCC1=CC=CC=C1NC2=NCC(=O)N2CC3=CC=C(C=C3)OC.Cl Cl- 1 3.392 3 2 0.231599209512711 6602606 COC1=C(C=C(C=C1)C(C2=NN=NN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CO5)OC.Cl Cl- 1 2.953 6 4 0 -23.0228436039245 6602596 CCC(=O)N(CCCN(C)C)C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC.Cl Cl- 1 2.935 3 3 -5.60809577922628 6602594 CCOC1=CC=C(C=C1)C(C2=NN=NN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CO5.Cl Cl- 1 3.318 6 3 0 -20.7309966939998 6602593 CC(C)CC(C1=NN=NN1C2CCCC2)N3CCN(CC3)C4=CC=CC=C4F.Cl Cl- 1 4.36 6 0 -19.8512883821359 6602592 COCCN1C(=NN=N1)C(C2=C(C=CC(=C2)OC)OC)N3CCC4=CC=CC=C4C3.Cl Cl- 1 2.62 5 3 0 -20.1871825151771 6602580 COC1=CC=C(C=C1)N2CCN(CC2)C(C3=C(C=CC(=C3)OC)OC)C4=NN=NN4CC5=CC=CO5.Cl Cl- 1 3.471 6 4 0 -13.7549240848236 6602570 CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NN=N2)C(C(C)C)N3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 2.653 6 4 0 -21.2084505732352 6602568 C1CC(OC1)CN2C(=NN=N2)C(C3=CC=CC=C3Cl)N4CCN(CC4)C(=O)C5=CC=CO5.Cl Cl- 1 2.425 6 3 0 -24.9581439126344 6602567 CN1CCN(CC1)C(C2=C(C=CC(=C2)OC)OC)C3=NN=NN3CC4=CC=CC=C4.Cl Cl- 1 2.634 6 2 0 -15.4357569300465 6602546 CCCC(C1=NN=NN1CC2=CC=C(C=C2)F)N3CCN(CC3)C4CCCCC4.Cl Cl- 1 4.475 6 0 -16.0811402592761 6602545 CC1=CC=C(C=C1)C(C2=NN=NN2CCC(C)C)N3CCN(CC3)C.Cl Cl- 1 3.15 6 0 -13.8583408354723 6602542 COC1=C(C=C2C(=C1)C(=O)/C(=C(\NCCCN3CCCCC3)/O)/C(=O)N2)OC.Cl Cl- 1 1.628 3 5 0 -10.0739612928419 6602538 CC1=CC(=C(C=C1)NC2=NCC(=O)N2CC3=CC=C(C=C3)OC)C.Cl Cl- 1 3.422 3 2 -1.34363822733543e-002 6602529 COC1=CC=CC(=C1)C(=O)NC2CC3CCCC(C2)N3CC(=O)NC4=CC=CC=C4.Cl Cl- 1 2.743 3 3 -9.56276628440937 6602527 CC1=NC2=C(N1C3CCN(CC3)CC4=NN=NN4CCC5=CC=CC=C5)C=CC(=C2)F.Cl Cl- 1 3.12 7 0 0 -20.9051246436218 6602525 C1CN(CCN1CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CC=N5.Cl Cl- 1 2.49 6 1 0 -7.43449302319648 6602522 C1CCC(=CC1)CCNC(=O)CN2CCN(CC2)C3=NC=CC=N3.Cl Cl- 1 1.459 5 1 0 -9.06203653695116 6538419 CC1=CC2=C(C=C1)OC(=O)/C(=C/C(=O)C3=C(N=C(S3)C)C)/N2 1 2.651 2 3 -5.85386196523785 6509369 CCOC1=C/C(=C/C2=C(NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)Br)C5=CC=CC=C5)/C=CC1=O 1 4.865 3 3 1.02699211697 6473883 CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O 1 1.869 2 14 0 -13.1659198165517 6420039 CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCCN(C)C.Cl Cl- 1 3.4 1 3 2.66847119875149 6419992 C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N.Cl Cl- 1 3.828 2 1 4.74225360252616 6419944 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O.Cl Cl- 1 7.2e-002 2 6 0 -9.26965007512899 6419939 CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@H]([C@H](C([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O 1 -0.431 0 15 0 -10.7454948002137 6419921 CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C31.Cl Cl- 1 3.908 1 1 2.71680959012432 6419304 COC1=CC=C(C=C1)C2=N[N+](=C(C=C2)N)CCCC(=O)O.[Br-] Br- 1 2.144 3 3 -3.1794805229186 6410797 CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=CC=C3.Cl Cl- 1 2.346 4 1 -1.7383918150693 6403437 CC1=CC=C(C=C1)N/N=C\2/C(=NN(C2=N)C3=CC=CC=C3)N 1 2.636 6 0 -3.35567061819282 6400942 C1=CC=C(C(=C1)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4)Cl 1 5.578 3 2 -4.64791975167799 6400935 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4 1 4.453 4 3 0 -7.47374272435855 6398970 C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O 1 -0.172 5 5 0 -10.9841449392593 6398944 CC(C)N(C(C)C)C(=O)CSC1=NN/C(=C/2\C=C3C=CC=CC3=CC2=O)/N1CCOC 1 2.57 4 3 0 -19.5900858435697 6398941 CC1CCN(CC1)C(=O)CSC2=NN/C(=C/3\C=C4C=CC=CC4=CC3=O)/N2CC5=CC=CO5 1 3.182 4 3 0 -21.4141414616065 6398898 C1=CC=C(C=C1)COC(=O)CSC2=NC3=C(C4=C(N3)C=CC(=C4)F)N=N2 1 4.263 4 2 -13.3064210925621 6398938 CCOC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CCN3CCOCC3)C4=CN=CC=C4)/O 1 1.384 3 5 0 -11.4336943173827 6398936 COC1=CC=C(C=C1)C(=O)CSC2=NN/C(=C/3\C=C4C=CC=CC4=CC3=O)/N2CC5=CC=CO5 1 3.987 3 4 0 -12.523054433491 6398932 CCOC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CC=CO3)C4=CC=NC=C4)/O 1 2.323 2 5 0 -6.42801260512128 6398930 COC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CC=CO3)C4=CC=NC=C4)/O 1 1.974 2 5 0 -5.32890993544891 6398928 CCOC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CCOC)C3=CC=C(O3)C)/O 1 2.011 1 6 0 -10.8105932870715 6398921 CCN(CC)CC.C1=CC=C2C(=C1)N(/C(=C/3\C(=O)NC(=S)S3)/S2)CCCS(=O)(=O)O NEt3 1 2.973 2 4 -3.78700577496446 6398917 COC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CCN3CCOCC3)C4=CN=CC=C4)/O 1 1.035 3 5 0 -10.3345916477103 6398913 CC1=CC(=C(C=C1)C)/C(=C/2\C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(O4)C)/O 1 2.609 2 5 0 -12.3157910601357 6398911 CC(C)N(C(C)C)C(=O)CSC1=NN/C(=C/2\C=C3C=CC=CC3=CC2=O)/N1CC4=CC=CO4 1 3.466 4 3 0 -18.5420273155038 6398902 CCN(CC)CC.CN1C(=O)/C(=C\2/C=CC3=CC=CC=C3N2CCCS(=O)(=O)O)/SC1=S NEt3 1 2.595 2 4 -9.40851811667505 6324575 COC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)C(=O)C5=CC=CC=C5 1 2.341 6 3 0 -5.53573641185145 6324574 C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CO4)C(=O)C5=CC=CC=C5Cl 1 2.069 6 3 0 -9.10473310309642 6324561 CC1=CC=C(C=C1)CC(=O)N2CCC(CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5 1 2.744 6 2 0 -8.68508535385532 6324558 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N(CC(=O)N2CCC3=CC=CC=C3C2)C4=CC=C(C=C4)OC 1 0.807 4 6 0 -26.8087184550342 6324549 COC1=C(C=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C(=O)NCCC4=CC=C(C=C4)F)OC 1 2.104 6 4 0 -10.7650382134271 6324538 CC(=O)NC1=CC=CC=C1C2=NC3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)NC2=O 1 2.671 5 3 0 -11.7503509903255 6323490 C[C@H]1/C=C/C=C(\C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C6C(=C(C(=C5C2=O)O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)/C 1 3.931 4 11 0 -9.77301237770695 6302629 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C(\C=O)/C3=NC4=C(O3)C=CC(=C4)Cl)OC 1 3.641 5 6 0 -9.8230827959128 6246112 CCC1=NN=C(S1)NC(=O)CSC2=NN/C(=C/3\C=C4C=CC=CC4=CC3=O)/N2CCOC 1 1.889 6 3 0 -26.6136112436055 6220215 CC1=CC\2=C(C=C1)N=C(/C2=C\C3=C(N4C(=NC3=O)C=C(O4)C)N)C 1 1.563 4 2 0 -3.78826080968157 6217768 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC2=C(C=CC(=C2)OC)OC)Cl)C3CCS(=O)(=O)C3 1 1.655 3 7 0 -18.8048736652349 6217709 C1CCC2=NN/C(=C(/C#N)\C(=O)CCl)/N2CC1 1 1.046 4 1 0 -11.5493777869546 6216004 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)OC)Cl)C3CCS(=O)(=O)C3 1 2.336 3 6 0 -17.34088162919 6202182 CN(C)S(=O)(=O)C1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CO4)/O 1 1.214 3 6 0 -14.2828119072922 6181098 CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)/C=C/C2=C(N(N=C2C)C3CCS(=O)(=O)C3)Cl 1 2.823 3 6 0 -19.9405728201765 6139021 CC(C)C1=CC2=C(C(=O)N=C2C=C1)NNC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl 1 3.422 4 4 0 -6.59038106861633 6138846 CC1=C(C=CC(=C1)OC)/C(=C/2\C(N(C(=O)C2=O)CCN(C)C)C3=CC(=C(C=C3)OC)OC)/O 1 2.951 2 6 0 -9.97212552941681 6100948 CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN/C(=C\4/C=NC5=CC=CC=C54)/N3CCOC 1 4.451 5 4 0 -29.4065536348735 6114380 CC(=O)/C(=C\NC1=CC=CC=C1)/C(=O)NC2=CC=CC=C2 1 2.114 2 2 -2.43961487916849 6036713 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC2=CC=CC=C2OC(F)F)Cl)C3CCS(=O)(=O)C3 1 2.494 3 6 0 -17.7997149517626 6015935 CC(C)(C)NC(=O)/C(=C\C1=CC=C(C=C1)Br)/NC(=O)C2=CC=CS2 1 3.627 2 2 -19.6711737430686 6007984 CC1=NC=CC2=C1C=C(C(=O)N2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 1.247 4 2 0 -7.14750453363352 5955206 CC1=C(OC(=N1)C)C(=O)/C=C\2/C(=O)OC3=C(N2)C=CC(=C3)[N+](=O)[O-] 1 1.501 3 6 0 -6.40480750603975 5931360 C1=CC=C(C=C1)/C=C/C2=C(N=CN2)[N+](=O)[O-] 1 2.428 3 2 1.14882061298979 5928470 COC1=CC=C(C=C1)CC(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.254 3 3 0 0.693098108255817 5926438 CC1=C(C=CO1)C(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 2.3 2 3 5.36196520208774 5914304 CCOC(=O)/C=C(/NC(=O)NC1=C(C=C(C=C1)Cl)Cl)\NN(C)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 5.42 5 3 0 0.919112931245426 5901566 C1=CC=C2C(=C1)N/C(=C(\C#N)/C(=O)C3=CC=CO3)/S2 1 3.247 2 2 -4.30041646966715 5899122 CC1=NN=C(S1)NC(=O)CSC2=NN/C(=C/3\C=C4C=CC=CC4=CC3=O)/N2CCOC 1 1.223 6 3 0 -25.4618562977505 5892262 CN1/C(=C\2/C=C3C=CC=CC3=CC2=O)/NN=C1SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)OC 1 2.861 5 3 0 -13.5702576942779 5891930 COC1=CC=C(C=C1)N2/C(=C/C3=C4C=CC=CC4=NC3=O)/NC5=CC=CC=C5C2=O 1 3.808 3 3 -8.79102944200083 5858282 CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)C5=CC=CC=C5 1 5.06 3 4 0 -4.35981693599694 5800726 COC1=CC=C(C=C1)/C=C/2\CCCC3C2=NN(C3C4=CC=C(C=C4)OC)C(=O)COC(=O)CNC(=O)C5=CC=CC=C5 1 4.601 3 6 0 -16.9707220084082 4343614 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 2.648 6 2 0 1.39174637944857 4324735 CC1=NN2C(=C(SC2=N1)C(C3=CC=CC=C3)N4CCN(CC4)C)O 1 2.437 5 1 -2.57919394330854 4324636 C1COCCN1CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br 1 2.195 2 5 0 -14.4638718070718 4321220 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=NOC(=C3)C)CC4=CC=CC=C4 1 2.688 4 3 0 -25.8478215637904 4314210 COC1=C(C=C(C=C1)CC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 2.578 4 5 0 -31.492438062942 4307897 COC1=CC=C(C=C1)CC(=O)NNC(=O)C2=CC(=C(C=C2)SCC3=C(C=CC(=C3)F)F)[N+](=O)[O-] 1 4.32 3 5 0 -15.5705683609864 4304285 CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3CCCCC3)CNC(=O)C45CC6CC(C4)CC(C6)C5 1 3.588 7 2 0 -28.9480604663196 4303182 CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl 1 3.616 3 3 -0.848587694599122 4294195 CCC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCCCN3CCOCC3 1 0.782 3 4 0 -14.0259490709038 4293291 CCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2CCCN4CCOCC4)OC5=CC=CC=C5C3=O)OCC 1 2.911 2 6 0 -17.2878560053642 4293289 CC(C)CCOC1=CC=CC(=C1)C2C3=C(C(=O)N2CCCN4CCOCC4)OC5=CC=CC=C5C3=O 1 3.81 2 5 0 -13.203619672029 4290599 CCOC1=CC=C(C=C1)NC(=O)N(C2CCCCC2)C3CCN(CC3)C(=O)C 1 2.713 3 3 -7.49001771807796 4289057 CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.867 2 7 0 -23.7591938105259 4283672 C1=COC(=C1)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)F 1 2.056 3 3 -0.155065266945041 4283586 CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C 1 0.342 6 3 0 -14.9128149347704 4278737 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NN=C(C)C3=CC=C(C=C3)N4C=CN=C4 1 3.153 5 4 0 -10.3345258628699 4277982 COC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5 1 2.917 3 5 0 -20.5162167528962 4276367 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CO4)C5=C(N6C(=NC=N6)S5)O 1 5.072 5 2 0 -8.99629113673265 4273709 CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NC(C)(C)C 1 4.524 6 3 0 -23.1125450548414 4260895 CC1=NN=C(S1)SC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C 1 2.993 6 2 0 -15.087608370853 4260589 CCCC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC)C4=CC=CC=C4 1 4.493 3 5 0 -8.74187623252656 4256680 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4 6 0 -8.1203405232153 4201180 C1COCCN1CCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC=C(C=C4)F 1 2.207 3 3 -13.7548126506231 5485201 C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O.Cl Cl- 1 1.657 1 4 0 0.974582147669064 5462501 C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O 1 -1.115 2 5 0 -13.0277276530724 5458171 C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO.Cl Cl- 1 6.8e-002 4 6 0 2.36017752606785 5458167 CC[N+](CC)(CC)CCOC1=C(C(=CC=C1)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC.[I-] I- 1 1.271 3 3 0 0.208820033853725 5452842 CC(C)OC(=O)CSC1=NNC(=C2C=CC(=O)C=C2)N1CC3=CC=CC=C3 1 3.455 3 3 -15.4080164652598 5447470 CCOC1=CC=CC=C1N2C(=C3C=CC(=O)C=C3)NN=C2SCC(=O)N 1 2.201 4 3 0 -15.6670787392017 5447101 CCN1/C(=C\2/C=C3C=CC=CC3=CC2=O)/NN=C1SCC(=O)N(CC)CC 1 2.294 4 2 -20.5186622716901 5440494 CN(C)C(=O)/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 3.761 2 3 -11.4050940234864 5440493 CNC(=O)/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 3.555 2 3 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CC1=CC(=NO1)N2C(/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C2=O)C4=CC(=CC=C4)Br 1 4.045 2 4 -7.98105818818354 5389368 CC1=CC(=NO1)N2C(/C(=C(/C3=CC(=C(C=C3)OC)OC)\O)/C(=O)C2=O)C4=CC(=C(C=C4)OC)OC 1 3.025 2 8 0 -15.5760234826762 5389364 CN(C)CCN1C(/C(=C(/C2=CC(=C(C=C2)OC)Cl)\O)/C(=O)C1=O)C3=C(C=CC(=C3)OC)OC 1 3.13 2 6 0 -8.26629082512885 5389361 CC1=CC(=NO1)N2C(/C(=C(\C3=CC=C(C=C3)OC(C)C)/O)/C(=O)C2=O)C4=CC=CC=C4OC 1 3.784 2 6 0 -10.7042405088242 5389360 CC1=CC(=NO1)N2C(/C(=C(/C3=CC(=C(C=C3)OC)C)\O)/C(=O)C2=O)C4=C(C(=CC=C4)OC)OC 1 3.528 2 7 0 -11.5739122465703 5389356 CCCOC1=CC=CC(=C1)C2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(=O)N2CCN(C)C 1 3.37 2 4 -7.4477976209813 5389351 CCN(CC)CCCN1C(/C(=C(/C2=CC=C(C=C2)C)\O)/C(=O)C1=O)C3=CC=CC=N3 1 2.932 3 3 -6.19571427682426 5389350 C1COCCN1CCN2C(/C(=C(\C3=CC=C(C=C3)Cl)/O)/C(=O)C2=O)C4=CC=CC=N4 1 2.038 3 4 0 -6.78019514819043 5389349 COC1=CC=C/C(=C\2/NC3=CC=CC=C3C(=N2)NCC4=CC=CO4)/C1=O 1 2.449 3 3 -6.98456777689674 5389347 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2.375 5 3 0 -15.4601117172358 5389311 CC1=C(C=NN1C2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCN(C)C)C4=CC=CS4)/O 1 2.733 4 3 0 -8.13766191096505 5389303 CC1=C(C=NN1C2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=NC=C5)/O 1 1.486 5 4 0 -7.65111118491722 5389302 CC1=CC=C(O1)C2/C(=C(/C3=C(N(N=C3)C4=CC=CC=C4)C)\O)/C(=O)C(=O)N2CCN(C)C 1 2.32 4 4 0 -8.04550714929077 5389301 CC1=C(C=NN1C2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCCN(C)C)C4=CC=NC=C4)/O 1 1.798 5 3 0 -3.92223535024565 5389298 CC1=C(C=NN1C2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC=CS5)/O 1 2.421 4 4 0 -11.0181243943685 5389297 CN(C)CCCN1C(/C(=C(\C2=CC(=CC=C2)OC)/O)/C(=O)C1=O)C3=CC(=CC=C3)Cl 1 3.225 2 4 -5.83901543372022 5389296 CC1=C(C=NN1C2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CCN(C)C)C4=C(C=CC(=C4)OC)OC)/O 1 2.854 4 5 0 -7.00189564303075 5389295 CC1=CC=C(O1)C2/C(=C(\C3=C(N(N=C3)C4=CC=CC=C4)C)/O)/C(=O)C(=O)N2CCN5CCOCC5 1 2.008 4 5 0 -10.9259696326942 5389293 CC1=C(C=NN1C2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CCN(C)C)C4=CC(=C(C=C4)OC)OC)/O 1 2.854 4 5 0 -10.7992046246618 5389290 CC1=C(C=NN1C2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CCN(C)C)C4=CC(=CC=C4)OC)/O 1 2.87 4 4 0 -5.2057067297052 5389286 C1CC1NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C/C=C/C5=CC=CC=C5 1 3.4 6 1 0 -0.222057870937873 5389282 COC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CC=CO3)C4=C(C=CC(=C4)OC)OC)/O 1 3.092 1 7 0 -6.98484618230947 5389245 COC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3CCCO3)C4=CC(=CC=C4)OC)/O 1 2.702 1 6 0 -9.48034791843968 5389242 CCOC1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)F)/O)/C(=O)C(=O)N2CCCN(C)C 1 3.115 2 4 -5.61537555391477 5389239 CC(C)OC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=CC=C4)/O 1 2.912 2 5 0 -11.1826479946507 5389238 CC(C)OC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)OC)/O 1 2.958 2 6 0 -11.0493401226859 5389236 COC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CC=CO3)C4=CC=CS4)/O 1 2.971 1 5 -7.90495184006562 5389231 COC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3CCCO3)C4=CC=C(C=C4)C(=O)OC)/O 1 2.574 1 7 0 -12.6443841421184 5389220 COC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=NC=CC=N3)C4=CC(=C(C=C4)OC)OC)/O 1 2.645 3 6 0 -9.04634370051768 5389215 COC1=C(C=C(C=C1)C2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(=O)N2C4=NC=CC=N4)OC 1 2.662 3 5 0 -9.6951921343171 5389210 CN(C)CCN1C(/C(=C(/C2=CC=C(C=C2)OC)\O)/C(=O)C1=O)C3=C(C(=CC=C3)OC)OC 1 2.465 2 6 0 -10.5908536549924 5389200 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/NCCN3CCNCC3)/C(=O)NC2=O 1 2.6e-002 5 4 0 -12.1192494830172 5389191 CCCCCCN1C(=O)/C(=C/NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)/C(=O)NC1=O 1 1.467 5 4 0 -15.8078493290617 5389189 C1CCN(CC1)CCN/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Cl 1 1.853 4 3 0 -3.17777604395367 5389183 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C/3\C(=O)NC(=O)N(C3=O)CCC4=CC=CC=C4 1 1.131 5 4 0 -14.9239237525933 5389163 C1CN(CCN1)CCN/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3 1 2.1e-002 5 3 0 -13.1134598329622 5389162 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C\3/C(=O)NC(=O)N(C3=O)CCC4=CC=C(C=C4)F 1 1.336 5 4 0 -13.1042003603002 5389159 C1=CC=C2C(=C1)C=CC=C2N3C(=O)/C(=C/NCCCN4C=CN=C4)/C(=O)NC3=O 1 0.846 5 3 0 -3.2853680588644 5389147 CCOC1=CC=CC=C1N2C(=O)/C(=C/NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)/C(=O)NC2=O 1 1.135 5 5 0 -15.3554112646036 5389135 CCCCCCN1C(=O)/C(=C/NC2CCN(CC2)CC3=CC=CC=C3)/C(=O)NC1=O 1 2.492 4 3 0 -0.339354169281317 5389133 CC1=CC=C(C=C1)N2C(=O)/C(=C/NCCN3CCOCC3)/C(=O)NC2=O 1 0.446 4 4 0 -9.52268277838168 5389067 C1=CC=C(C=C1)C\2=NN(C(=O)/C2=C/NCCCN3C=CN=C3)C4=NC5=CC=CC=C5S4 1 2.625 6 1 0 -3.48127370729259 5389063 CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)CCNC=C4C(=O)N(C(=O)N(C4=O)C)C 1 0.311 5 5 0 -11.7030435532057 5388989 CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-] Br- 1 2.793 2 4 -13.8572647264346 5388984 C[C@H]1C=CC=C(C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\NN5CCN(CC5)C)C(=O)[C@](O4)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C 1 1.388 4 12 0 -13.817361684268 5388972 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)[14C]7=[14CH][14CH]=[14CH][14CH]=[14CH]7)(CO4)OC(=O)C)O)C)OC(=O)C 1 3.055 1 14 0 -19.197659720193 5380406 C1=CC=C2C(=C1)C3=C(C=C(C=C3)O)OC2=O 1 2.708 0 3 -0.819769192005659 5377143 C1=CC=C(C=C1)N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 3.149 1 1 -1.34810374204841 5372200 CC1=CC(N2C(=N1)N=CN2)C3=CC=CC=C3 1 0.83 4 0 0 -3.11894479192065 5371427 CCO/C(=C\1/C(=O)C=C(NC1=O)C)/O 1 0.272 1 4 0 -8.63735412000221 5371085 COC(=O)/C=C/C1=CN=CN1 1 0.331 2 2 0 -0.181724146934002 5369129 COC1=CC(=O)OC(C1)/C=C/C2=CC=CC=C2 1 2.218 0 3 3.93130280213484e-002 5359405 C1=CC=C2C(=C1)/C(=C\3/C(=O)C4=CC=CC=C4N3)/C(=O)N2 1 1.876 2 2 0 -9.35368661127874 5359226 CN\1C=CC=C/C1=C\[NH+]=O.[Cl-] Cl- 1 -9.7e-002 2 1 0 -1.70930707522008 5357439 C1=CC=C(C(=C1)C(=O)O)NN=C2C=CC(=O)C=C2 1 2.177 2 3 -2.7096931481157 5355986 C1CCC(CC1)NC=C2C=CC(=O)C=C2 1 2.103 1 1 1.04451960966517 5353980 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/N=C/3\C=CC(=O)C(=C3)C(=O)O 1 2.013 4 5 0 -8.31704951083093 5353588 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O 1 -0.395 0 15 0 -8.20726046424798 5353472 COC(=O)N=N/C=C/1\C=[N+](C2=CC=CC=C2N1O)[O-] 1 1.47 4 4 0 -0.206539151180578 5349753 CCOC1=CC=C(C=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N 1 1.997 3 3 0 -0.353876479716033 5347980 CC1=CC(=NO1)NC(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC(=C(C=C4)Cl)Cl 1 3.194 5 2 0 -10.14283845779 5347947 COC1=CC=C(C=C1)C2CC(N3C(=N2)C=C(N3)C(=O)NCCN4CCOCC4)C(F)(F)F 1 0.96 5 3 0 -7.82578495322034 5347777 COC1=C(C=C(C=C1)C2CC(N3C(=N2)C=C(N3)C(=O)O)C(F)(F)F)OC 1 1.539 3 4 0 -5.76464791958198 5344988 CCN(CC)CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C.Br Br- 1 4.378 2 2 -4.37508943253732 5343290 COC1=C(C=C(C=C1)/C=C/2\CCCC3C2=NN(C3C4=CC(=C(C=C4)OC)OC)C(=O)C5=CC=CO5)OC 1 5.197 2 6 0 -13.4102501987819 5341572 CC1(CC2=C(C(=O)C1)C(=C3C(=N2)NC(=O)NC3=O)C4=CC=CC=C4)C 1 2.458 3 3 -12.2512217618455 5341429 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)C)C 1 2.751 6 3 0 -15.0504974774291 5341249 COC1=CC=CC=C1/C=C(\C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC)/NC(=O)C4=CC=CC=C4 1 3.83 5 7 0 -29.8568000442212 5339368 CC1(CC2=CC=CC=C2/C(=C/C(=O)C3=CC=CC=C3)/N1)C 1 3.594 1 1 -3.98625855335786 5337455 COC1=C(C=C2C(=C1)C3=C(NN(C3=NC24C5=CC=CC=C5NC4=O)C6=CC=CC=C6)C7=CC=CC=C7)OC 1 4.195 4 3 0 -4.98701448315502 5336478 CC(C)(C)C(=O)/C=C\1/C(=O)OC2=CC=CC=C2N1 1 2.747 1 3 -7.46574621613443 5351279 C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-] Cl- 1 2.557 2 0 3.3423325647849 5351166 CN(C)N/N=C\1/C(=NC=N1)C(=O)N 1 -1.483 6 1 0 -3.55492157653306 5328770 C1=CC=C(C=C1)CCCNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N 1 3.221 2 3 -9.12581412432201 5322374 COC1=CC(=CC(=C1OC)OC)C2C3=C(C4=CC=CC=C4CC3)N=C5N2NC=N5 1 3.223 4 3 0 -6.08400824946531 5322190 CCCC1=C/C(=C/2\C(=C(NN2)C)C3=CC=C(O3)C(=O)OCC)/C(=O)C=C1O 1 2.304 2 5 0 -7.40667364506296 5318997 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CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3C(=CC(=N3)C4=CC=C(C=C4)OC)N)C 1 4.225 3 6 0 0.813868955702541 5309680 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=C(O2)CS(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 3.312 2 6 0 -11.4507735190374 5309675 CN1C2=C(C=C(C=C2)S(=O)(=O)CCC(=O)N3CCOCC3)N(C(=O)C1=O)C 1 -0.81 3 6 0 -18.0161111845386 5309668 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)NCC4COC5=CC=CC=C5O4 1 2.65 3 5 0 -10.1095122549971 5309663 CCOC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=CC=C4Cl 1 4.842 3 2 -11.3673168148075 5309649 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.351 2 5 0 -7.71182117368893 5309648 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)(=O)CC(=O)NCCCN3CCN(CC3)C 1 1.25 4 4 0 3.70696709582215 5309643 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)(=O)CC(=O)N3CCN(CC3)C4CCCCC4 1 2.61 3 5 0 8.82366746120197 5309641 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=C5F 1 4.472 4 2 19.7050876771239 5309633 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5 1 2.767 4 4 0 -14.1391715086026 5309628 CC(=O)N1CCC2=C1C=CC(=C2)C(=O)CN3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.27 3 2 -4.02828652170531 5309622 CC1=CC2=C(O1)C=C(N2CC3=C(C=CC=C3Cl)F)C(=O)N4CCC(CC4)C(=O)NC5CCCC5 1 5.111 3 3 -9.97962249540292 5309616 C1CN(C2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C(=O)CCC(=O)O 1 2.028 3 5 0 -25.7322126041286 5309609 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)N3CCN4C3=NC5=CC=CC=C54 1 3.336 5 3 0 -16.4418415990448 5309604 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5)C 1 3.455 5 2 0 -6.84471025087208 5309588 CN1C=CC=C1CC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NCC4=CC=CO4 1 3.419 5 3 0 -23.5990067732988 5309575 C1CN(CCC1C(=O)N)C(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC=CO4 1 0.118 5 3 0 -7.89676460143339 5309564 CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3COC4=CC=CC=C4O3 1 1.168 4 5 0 -16.1740969573773 5309563 CCN(CCCNC1=C(C(=O)C1=O)NC2CCN(CC2)C(=O)OCC)C3=CC=CC(=C3)C 1 1.76 4 4 0 -5.54287675793389 5309562 C1CCN(C(C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=C(C=C4)F 1 3.305 3 3 -9.56655181459888 5309561 C1C(C(=C2N(C1=O)CN(CS2)C3=CC=CC=C3)C#N)C4=C(C=CC=C4Cl)Cl 1 5.174 3 1 -10.8090873527507 5309536 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=C(C=C4)Br 1 3.593 3 4 0 -7.60820417966243 5309534 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3C5=CN=CC=C5 1 1.885 4 4 0 -22.7086051609373 5309532 CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)NC4CCN(CC4)C(=O)OCC 1 3.071 4 4 0 10.3766497682099 5309531 CCCCN(C)C(=O)CS(=O)(=O)CC1=C(OC(=N1)C2=CC(=CC=C2)OC)C 1 2.123 2 5 0 3.94408437963242 5309524 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CS(=O)CC(=O)NCC3=CN=CC=C3 1 0.909 3 5 0 0.531270140507617 5309521 CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 2.492 4 4 0 -3.17799574682567 5309519 CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)N4CCN(CC4)C5=NC=CC=N5 1 1.967 6 2 0 0.734567752214419 5309518 CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.476 5 2 0 13.8571079851808 5309516 CCCN(CCC)C(=O)C1CCN(CC1)C2=CC(=NC3=C(C(=NN23)C)C4=CC(=C(C=C4)OC)OC)C 1 4.486 5 3 0 -11.0499426919896 5309514 CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)CC(=O)NCC3=CC=C(C=C3)OC 1 2.563 2 4 5.92140586838123 5309506 CC1=CC2=C(C=C1)N(C(=C2C)C)CC(CN3CCOCC3)O.Cl Cl- 1 2.762 2 2 4.46279912027055 5309480 CC1=CC(=CC(=C1)N(CC(=O)NCC2=CC=C(C=C2)OC)S(=O)(=O)C3=C(ON=C3C)C)C 1 3.005 3 5 0 -18.3206374455027 5309479 CC1=C(C(=NN1C)C)S(=O)(=O)N(CC(=O)NC2=CC=CC=N2)C3=CC=C(C=C3)C(C)C 1 2.82 5 3 0 -11.2203796229794 5309476 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CSCC(=O)N3CCN(CC3)C4CCCCC4 1 3.61 3 4 0 1.5587005966683 5309461 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(O3)C5=CC=CC=C5N=C4C)C 1 4.909 3 2 4.23409535919248 5309456 CN1CCN(CC1)CC#CCC(C2CCCC2)(C3=CC=CC=C3)O.Cl Cl- 1 3.85 2 1 3.26118066987653 5309446 C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl.Cl Cl- 1 4.527 3 0 1.86656339675636 5309443 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)NCC3=CC=CC=N3 1 3.107 3 3 -15.4791500690131 5309441 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)N3CCCC(C3)C(=O)OCC 1 1.249 2 6 0 -5.94693998867045 5309439 CCOC(=O)N1CCC(CC1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4 1 1.01 5 4 0 -16.9073320652629 5309434 C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)CCC(=O)O 1 2.85 2 5 0 -24.5604537407422 5309431 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC4=C3CCC5=CC=CC=C54 1 3 4 3 0 -16.2828877631064 5309429 CCN1C2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4C1=O 1 2.083 3 4 0 -12.0295899118335 5309426 CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC4=C(N3C)C5=CC=CC=C5N(C4=O)C 1 3.346 3 4 0 -8.28796849959503 5309419 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CN4 1 1.173 5 4 0 -5.82988672445749 5309414 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)NCCCC3=CC=CC=C3)OC1=O 1 2.874 2 6 0 -12.4836330319452 5309409 CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC=CN4C 1 5.395 5 1 -16.5876571480516 5309408 CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCCO5 1 4.361 5 3 0 -26.2632464615428 5309405 CN1C=CC=C1CC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NCC4=CC=CC=C4Cl 1 4.902 5 2 0 -22.8091595292397 5309404 CN1C=CC=C1CC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=CC5=C(C=C4)OCCO5 1 4.238 5 3 0 -20.7500897311028 5309402 CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NC4=CC(=C(C=C4)OC)OC 1 2.111 3 6 0 -15.4729006853082 5309399 CC1=CC2=C(C=C1)OC(=O)C3=C2N(N=C3)CC(=O)NC4CCN(CC4)CC5=CC=CC=C5 1 3.132 4 3 0 -8.59263457910307 5309398 CC(CCC1=CC=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4 1 4.492 3 2 -12.2483840608335 5309396 COC1=CC=CC(=C1)C2CC(N3C(=N2)N=C(N3)N)C4=C(C=CC=C4Cl)F 1 2.778 5 1 -1.53178396052382 5309377 CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)(=O)CC(=O)N(C)C3CCCCC3 1 3.156 2 4 2.91434713256569 5309376 CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)NCCCN(C)CC3=CC=CC=C3 1 0.837 4 4 0 -2.42000839405103 5309374 COC1=CC(=CC(=C1)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4)OC 1 2.639 3 5 0 -8.30794360481247 5309372 CCOC1=CC=CC=C1C2CC(N=C3N2NC(=N3)N)C4=CC=C(C=C4)Br 1 3.652 5 1 -2.63364742172084 5309358 CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N)CN3C4=CC=CC=C4SC3=O 1 3.451 5 2 0 -12.6992015793822 5309356 COC1=CC=CC=C1OCC(CN2C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4)O.Cl Cl- 1 3.847 3 3 -5.93662111396566 5309355 CCOC1=CC=C(C=C1)NC(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O 1 2.174 4 3 0 -9.67579063673668 5309354 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=C(C=C4)OC 1 4.303 2 5 0 -13.5213069671275 5309352 CCOC(=O)C1=C(N=C2N=NNN2C1C3=CC(=C(C=C3)OC)Br)C 1 3.249 5 3 0 -18.6914378102727 5309338 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC=CN4C 1 4.192 5 2 0 -20.0629015430692 5309327 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)(=O)CC(=O)N3CCN(CC3)C4=CC=CC=N4 1 1.813 4 5 0 8.58462340578136 5309323 CC(C)CC(C(=O)NC1CCCC2=CC=CC=C12)NS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C 1 3.832 3 5 0 -17.6852533137474 5309298 CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN(C2)C(=O)C3=CC4=C(N3C)C=CS4 1 2.165 4 4 0 -8.17032374741633 5309295 CC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3)Br)N(C2=O)CC(=O)OC)O 1 2.781 1 5 -8.81538435253418 5309292 C1CN(CCN1CCNC(=O)CN2C3=C(C=N2)C(=O)OC4=CC=CC=C43)C5=CC=CC=C5F 1 2.925 5 3 0 -13.2611627268625 5309285 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 1.075 5 4 0 -11.761923966572 5309282 CCOC(=O)C1=CC=CC=C1NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCN(CC4)C(=O)OCC 1 2.348 3 6 0 -16.1886819400543 5309267 COC1=C(C(=CC=C1)OC)C2=NCC(=O)NC3=C2OC4=C3C=C(C=C4)Br 1 3.611 2 4 2.22032143690204 5309263 CCOC1=CC=C(C=C1)NC(=O)CN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C3=C(ON=C3C)C 1 3.347 3 5 0 -15.2682549380964 5309260 CC1=CC2=C(C=C1)OC(=O)C3=C2N(N=C3)CC(=O)NC4=CC=CC=C4N5CCN(CC5)C 1 3.133 5 3 0 -7.44311574095652 5309259 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NC4=C(C=CC(=C4)OC)OC 1 2.89 3 5 0 -8.44765986672388 5309255 CCCN1CC2=CC=CC(=C2C1=O)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C 1 4.064 3 2 -3.63834171919219 5309252 CC(C)N(CCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N(C)C)C)CC3=CC=CC=C3 1 2.3 4 4 0 -14.191265697966 5309246 CC1=C(C(N2C(=N1)N=C(N2)C3=CC(=CC=C3)OC)C4=CC=CS4)C(=O)NC5=CN=CC=C5 1 1.998 6 2 0 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CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)CC4=CC=CN4C 1 4.029 5 2 0 -21.5026965688246 5309174 C1OC2=C(O1)C=C(C=C2)CN3C(C4=CC=CC=C4C3=O)NC5=CC6=C(C=C5)OCO6 1 3.774 2 5 0 -8.68779166156106 5309173 CN1C=CC=C1CC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)N4CCCC5=CC=CC=C54 1 5.189 5 1 -19.1160058374078 5309164 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)C 1 3.756 4 3 0 -10.876958343413 5309162 CC1=NOC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CS3)/C=C/N(C)C 1 1.122 4 4 0 -17.7015889643747 5309155 CCC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.787 3 4 0 -8.63033498550116 5309146 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)N4CCCCC4)OC1=O 1 1.747 3 6 0 -15.8164915999886 5309143 C1COCCN1CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br 1 2.257 2 5 0 -14.6566592455872 5309142 CCN(CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=CC=CC=C4 1 2.973 4 3 0 -22.2380267986089 5309137 CC(C)CCNC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)OC1=O 1 2.954 3 5 0 -27.3775595646935 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CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CS(=O)CC(=O)NC3CCCC4=CC=CC=C34 1 3.076 2 5 0 4.29256880714601 5309020 CCOC1=CC=C(C=C1)C2C(=C(N=C3N2NC(=N3)CCCO)C)C(=O)NC4=CC=C(C=C4)F 1 2.736 5 3 0 -13.0823221157287 5308977 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4)OC1=O 1 1.736 4 6 0 -17.3666448411306 5308971 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C)S(=O)(=O)C3=C(ON=C3C)C 1 2.86 3 5 0 -14.9666148923933 5308958 CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=C(C(=NO3)C)Cl 1 3.565 4 2 -8.44196449116169 5308954 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC(=C(C=C2)F)F)S(=O)(=O)C3=C(ON=C3C)C 1 2.785 3 5 0 -13.9424791091816 5308950 CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)OC3=CC=CC=C3Br 1 3.672 0 4 3.28347004136798 5308996 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5 1 3.82 3 5 0 -15.4760191511283 5308986 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5F 1 2.989 4 3 0 -13.2503881794692 5308985 CCN1C2=C(C=C1C(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C(=O)OCC)SC=C2 1 2.431 4 4 0 -8.01449492912224 5308984 CN1C=CC=C1CC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=C(C=CC(=C4)Cl)OC 1 5.1 5 2 0 -16.7294084002232 5308981 C1C(N=C2N=CNN2C1C3=CC=CO3)C4=CC(=C(C=C4)Cl)Cl 1 2.673 4 1 -1.44195760392288 5308919 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CN3CCC(CC3)C(=O)N4CCC5=CC=CC=C54 1 3.591 3 4 0 4.21599423293263 5308922 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NCCN3C(=O)C4C5CC(C4C3=O)C=C5 1 -3.2e-002 5 4 0 -18.2923552748927 5308933 CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 3.646 3 3 -14.4216507072168 5308937 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NN=C(S4)N5C=CC=C5 1 3.93 6 1 0 1.57821941760205 5308941 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)OC 1 1.966 2 7 0 -13.9131634515014 5308943 CN1C2=C(C=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)NC3CCCCC3)OC1=O 1 2.186 3 5 0 -22.3891395333959 5307123 CCOC(=O)N1CCC(CC1)N2CC34C=CC(O3)C(C4C2=O)C(=O)NC5=CC=C(C=C5)F 1 0.676 3 5 0 -1.6797917896663 5307119 CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)(=O)CC(=O)NCCCN3CCCC3 1 1.754 3 4 0 1.44814700514861 5307118 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.844 2 6 0 6.63507257607011 5307116 CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.57 3 5 0 -19.2132933444517 5307114 CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)NC4=CC=C(C=C4)F 1 1.708 5 5 0 -15.0806186800951 5307108 C1CN(CCC1C(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4 1 2.32 3 4 0 -26.3406876525445 5307095 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CS(=O)CC(=O)NCCN3CCCC3 1 1.773 3 3 0 9.31616329881647 5293674 C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC5=NC(CC(N5N4)C(F)(F)F)C6=CC=CO6 1 2.913 4 2 -7.50266779580169 5293426 C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4 1 3.967 4 3 0 -7.72779108925668 5293031 CN(C1=CC=C(C=C1)OC(F)(F)F)C(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC=CO4 1 4.341 4 3 0 -3.84529634463009 5293014 C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C5=NC(CC(N5N4)C(F)(F)F)C6=CC=CO6)Cl 1 3.282 4 2 -5.5890811874601 5292106 CC1=CC2=C(C=C1)OC(=O)/C(=C/C(=O)C3=CC=CC=C3)/N2 1 3.361 1 3 -2.09582501438482 5288783 C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C 1 4.679 0 3 -0.126358825813397 5308917 CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4CCC(=O)O 1 2.854 4 3 0 -10.5791072179738 5308914 CC1=NC2=C(C(=NN2C(=C1)N3CCC(CC3)C(=O)N4CCCCC4)C)C5=CC(=C(C=C5)OC)OC 1 3.658 5 3 0 -10.0623400758581 5308910 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C)C(=O)NCCCN(C)C3=CC=CC=C3 1 2.074 4 4 0 -15.1927263776723 5308908 CC1=CC(=CC(=C1)N(CC(=O)NCC2=CC(=CC=C2)OC)S(=O)(=O)C3=C(ON=C3C)C)C 1 3.005 3 5 0 -18.4692364913298 5308900 CC1=C(N=C(O1)C2=CC=CC=C2F)CS(=O)(=O)CC(=O)N3CCCCCC3 1 2.39 2 4 2.40869673792038 5308895 C1C(C(=C2N(C1=O)CN(CS2)CC3=CC=CC=C3)C#N)C4=CC=CS4 1 3.499 3 1 -9.49900468333738 5308882 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)N4CCN(CC4)C5=CC=CC=C5OC 1 3.418 4 3 0 -3.25623718624477 5308876 CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=NOC4=C3CCC5=CC=CC=C54)C 1 5.055 4 2 -8.77878151773731 5308874 CC1=CC(=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3)Br)N(C2=O)C)O)C 1 3.56 1 3 0.545236753992204 5308873 CC1=CC=C(C=C1)CNC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=CS3)C 1 2.532 2 3 1.84798297873595 5308871 CCOC1=C(C=C(C=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C)OC 1 4.36 4 4 0 -11.533478374237 5308869 CC(C)OCCCN(C1CCN(CC1)C(=O)C)C(=O)NC2=CC=C(C=C2)Cl 1 1.844 3 3 0 -7.66534555617727 5308864 C1CN(CCN1C2=NN3C(=NN=C3C4=CC=CC=C4)C=C2)C(=O)C5=CC=C(O5)Br 1 2.703 6 2 0 -4.88133118328303 5308860 CN1C2=C(C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=N1)C5=CC=C(C=C5)Cl 1 5.165 4 1 2.60111261334476 5308857 CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)CC(=O)NCC3=CC=CC=C3OC 1 2.563 2 4 3.63873504030292 5308850 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCC3=CC=C(C=C3)Cl 1 3.243 2 3 8.77528428258898 5308849 C1CCC(CC1)N2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5 1 4.286 5 1 -2.37548437941202 5308836 CC1CCC(CC1)NC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C)C 1 3.106 2 3 5.48147554688256 5308835 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NCCN4CCN(CC4)C5=CC=CC=C5F 1 3.573 5 2 0 -1.73444824639848 5308829 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)CC4=CC=CN4C)Cl 1 5.381 5 2 0 -17.0412063929732 5308828 CC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)N)C4=CC=CS4 1 2.258 5 0 -2.95499000238354 5308824 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.701 4 3 0 -1.02140456815377 5308822 CN1C=CC=C1CC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)N4CCOCC4 1 2.769 5 2 0 -19.2570401800864 5308817 C1CCCC(CCC1)NC(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O 1 3.866 3 5 0 -20.5036412866051 5308806 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)NCCN3CCN(CC3)C4=CC=CC=C4F 1 2.749 4 3 0 -9.19935791748578 5308801 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=C(C=C4)Br 1 3.72 1 6 0 -13.8919974894492 5308798 COC1=CC=CC(=C1)C2CC(N=C3N2NC(=N3)N)C4=CC=CC=C4Cl 1 3.219 5 1 1.4359371188044 5308782 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=C4CCCC4=N3)SCC(=O)O 1 2.726 3 5 0 -8.36267882983021 5308775 CC(=O)C1=CC(=CC=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5 1 3.746 2 4 -9.91875007630368 5308768 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CC1=CC2=C(N1)C=CC(=C2)CNC(=O)C3=CC=C(O3)Br 1 3.023 2 2 -7.21313027227502 4780966 CCC1=CC2=C(S1)N=C(N(C2=O)CC)SC(C)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.397 5 3 0 -25.3591461305752 4709461 COC1=C(C=C(C=C1)C2C3=C(C(=O)N2CCN4CCOCC4)OC5=C(C3=O)C=C(C=C5)F)OC 1 2.357 2 6 0 -14.5125988315742 4694916 COC1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=CC=CC=C3Br 1 3.187 3 3 0.1316050342532 4679587 CC1=C(C(N2C(=O)C(=CC3=CC=CS3)SC2=N1)C4=CC=CS4)C(=O)OCCOC 1 3.773 2 4 -30.9053548955459 4674711 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN=C4N(C3=O)C(=CS4)C 1 0.626 6 4 0 -20.0133544112564 4672181 CCSC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2CCOC)SC(C3)C 1 1.741 5 3 0 -28.4516982252488 4668146 CC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=O)NC3=C(C=C(C=C3)OC)OC 1 3.837 3 3 -8.57371981601473 4668094 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=CN3C4=CC=C(C=C4)Cl 1 3.659 3 3 -10.4291277049131 4667290 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCOCC5 1 1.303 4 7 0 -23.3161973009386 4652294 CC1=NN2C(=C(SC2=N1)C(C3=CC=CC=C3)N4CCN(CC4)CCO)O 1 1.897 5 2 0 -2.04406987454258 4649906 C1=NC=N[N-]1.[Na+] Na+ 1 -0.199 3 0 0 -0.156513506664628 4649064 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N(C)C3CCCCC3)C(=O)NCC4COC5=CC=CC=C5O4 1 4.557 2 6 0 -2.6299291035353 4648656 C1OC2=C(O1)C=C(C=C2)CNCC3=CN4C(=NN=C4S3)C5=CC=C(C=C5)Br 1 3.692 4 2 3.43383084375471 4626316 COC1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=CC(=CC=C3)F 1 2.644 3 3 -0.183284384527903 4625388 C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=CS3)SCC(=O)N 1 2.535 3 2 -16.0394449659768 4624597 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)CCOC 1 2.093 4 3 0 -16.2541127624347 4621093 CC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C3=NN4C(=NN=C4S3)C)C 1 3.306 5 2 0 -11.8586170943514 4621091 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)COC4=CC=C(C=C4)Br 1 3.568 5 2 0 -11.3049815545322 4615445 CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)F 1 5.835 4 2 -14.8400831906591 4613936 CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(C3=C(O2)CCC4=C3NN=C4)C)OCC 1 4.213 3 4 0 -10.1310826420903 4610985 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3CCCC3 1 3.272 2 1 -7.35652921177914 4608256 CC1CCCN(C1)C2=NC3=C(N2CCSC4=NC=CC=N4)C(=O)NC(=O)N3C 1 1.947 7 2 0 -9.08104924697025 4607153 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CCSC5=NC=CC=N5 1 2.251 8 2 0 -3.97949239167068 4604253 CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=C(C=C2)O 1 0.946 2 4 0 2.696160427722 4603573 CCCC1(C2C(C(N1)C3=C(C=C(C=C3)OC)O)C(=O)N(C2=O)C4=CC=C(C=C4)OC)C(=O)O 1 -0.225 2 7 0 3.24620633182068 4586005 CC1CCCN(C1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5O4)C(=O)NC(=O)N3C 1 3.272 6 3 0 -7.26441542376712 4584960 CC(C(=O)NCC1CCC(CC1)C(=O)O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4 1 4.279 1 6 0 -16.3982456463679 4581051 CC1CC(CN(C1)CC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)N(C(=O)N3C)C)C 1 3.97 5 2 0 -17.1224904855317 4575307 COC1=CC(=C(C=C1)NC(=O)C2=CN=C3C=CC=CN3C2=O)OC 1 0.473 3 4 0 -15.8638168810524 4559027 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F 1 3.516 3 4 0 -20.1802674832192 4553929 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3CC=C 1 5.053 3 4 0 -21.2286264903153 4549137 CCN1CCN(CC1)C(C2=CC=CC=C2)C3=C(N4C(=NC(=N4)C)S3)O 1 2.786 5 1 -4.18584984675941 4548507 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(O2)C3COC4=CC=CC=C4O3 1 1.46 4 6 0 -13.0807931393773 4544775 CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC 1 1.83 4 3 0 -22.1289441332834 4535213 CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4OC)SCC3 1 3.635 3 3 -16.1844166166981 4526636 CC1=C(C=C(C(=C1)NO)C(C)C)N=O 1 3.537 2 2 1.25853591407396 4519229 CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(C(C)C)C(=O)O 1 3.117 2 4 -20.1480216378233 4518247 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 2.989 4 3 0 -13.0143282739932 4483668 C1=CC=C(C=C1)C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC=CC=C3O 1 5.096 3 4 0 1.12553489076166 4464849 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C 1 4.477 3 2 -12.2542827275766 4459714 CCCC(=O)NC1=NC2=C(C(=C1)C)C(=O)OC3=CC=CC=C32 1 3.497 2 3 -10.4900355739343 4459613 CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4 1 2.228 6 4 0 -16.2968895444949 4458126 CC(=O)NC1=NN=C(O1)C2=CC(=CC=C2)OC 1 0.774 3 3 0 -0.137135059380086 4457766 CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.678 6 3 0 -8.64067684840658 4456705 CC(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 2.859 3 3 -3.21626653280854 4456136 CC(C)(C)OC(=O)NCCCCCO 1 1.507 1 3 0 -9.8326093261398 4448690 C1COCCN1C2=CC=C(C=C2)C=NNC3=C(C=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl)[N+](=O)[O-] 1 4.345 5 5 0 -2.05804733875512 4443991 C1CCC2=C(C1)C=CC(=C2)C3=NN=C(O3)NC(=O)COC4=CC=C(C=C4)Cl 1 4.468 3 3 -3.13578134085558 4437210 CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NN=C(S4)C 1 3.585 5 2 0 -22.9920558090115 4435941 C1CN(CCC12OCCO2)C(=O)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=C(C=C4)Br 1 2.551 2 5 0 -9.8351876334028 4433156 C1C(N(N=C1C2=CC=CS2)C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)C6=CC=C(C=C6)F 1 4.18 6 2 0 -8.33707091462552 4431371 CC1=CC(=NO1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC(CC3=O)C4=CC=CC=C4 1 2.261 3 5 0 -24.147841937652 4428460 C1COCCN1CCCNC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)Br 1 2.169 3 4 0 -11.7681717264021 4403802 CC1=NC2=C(C(=N1)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC)C(=O)N(C(=O)N2C)C 1 1.705 5 5 0 -27.8409625779514 4392018 CC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 3.485 4 6 0 -21.1680945458191 4384136 CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)C4=CC(=CC=C4)OC 1 4.021 2 4 -6.32925497722708 4377951 C1C2C(C3=CC=CC=C31)NC(=O)O2 1 1.551 1 2 0 -1.84055244193636 4373353 COC1=CC=CC(=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3 1 2.211 3 5 0 -9.87847048685111 4362424 CC(C)CCNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3 1 1.989 4 7 0 -30.8652292067695 4361989 CC1=CC=CC=C1C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)OC 1 2.925 3 3 -4.82075838137837 4360678 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=CC=CO3 1 2.661 2 2 -7.75220212784158 4359626 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3.786 1 2 -8.1848803535516 2998944 CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)SC3=NN=C4N3C5=CC=CC=C5C(=O)N4CC=C 1 4.443 6 2 0 -12.4724959050914 2998936 CC1(C[N+]2=C(N1C3=CC=C(C=C3)OC)CCCC2)O.[Br-] Br- 1 1.632 2 2 0 -7.77515159974759 2998933 CC1=NN(C2=C1C=C(S2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CC=C5 1 4.858 5 3 0 -22.1102867446576 2998908 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4=C(N(C(=C4)C)CC5CCCO5)C 1 3.84 5 3 0 -25.4160904070032 2998905 COC1=C(C=CC(=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3)O 1 2.556 2 5 0 3.12555504883452 2998903 CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)NCC3=CC=C(C=C3)Cl 1 1.603 3 5 0 -10.5284261240992 2998902 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CCSC)NC3=NS(=O)(=O)C4=CC=CC=C43 1 2.31 4 4 0 -14.2344224424575 2998895 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(C)C3CCS(=O)(=O)C3 1 1.534 3 4 0 -17.5022840235945 2998894 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=NC(=C(S4)C5=CC=CO5)C6=CC=CO6 1 3.216 3 6 0 -5.27641510577673 2998889 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4N3 1 1.135 4 4 0 -23.1865342872585 2998885 CCOC(=O)N1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4 1 3.253 4 4 0 -8.21964824097843 2998881 C1CN(C2=CC=CC=C21)C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4 1 3.097 2 5 0 -18.2135821169438 2998879 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.955 4 3 0 -11.4112856383407 2998877 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=CC=CC=C2NCC3=CC=CO3 1 4.097 3 4 0 -6.3190495938353 2998875 C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 0.809 4 6 0 -24.0511097419773 2998872 C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)CN3CCN(CC3)C(=O)C4=CC=CO4 1 1.228 3 5 0 -16.4727067516299 2998871 C1CC(=O)N(C1)CCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCN3CCOCC3 1 0.156 4 5 0 -29.1095422687591 2998867 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 0.782 2 7 0 -23.8904939125327 2998841 CC(C1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)NC3=CC4=C(C=C3)OCO4)N5CCCCC5 1 4.116 5 4 0 -18.614929641552 2998840 CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=CC(=CC=C2)OCC3=C(ON=C3C)C)C 1 4.095 2 7 0 -19.0466985258034 2998837 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC3CCCC4=CC=CC=C34 1 1.266 5 5 0 -24.3296235333517 2998834 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N 1 2.981 5 3 0 -24.269694568635 2998829 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)COCCOCC(=O)N(C3CCCCC3)C4=CC=CC=N4 1 4.097 4 4 0 -8.0160109925841 2998825 CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=CC=C4Cl)CCOC 1 4.549 4 4 0 -6.22770032703645 2998822 C1CCN(C(=O)C(C1)SC2=NN=C3N2C=CC=C3)C(=O)C4=CC=C(C=C4)F 1 3.66 4 2 -9.44938021112164 2998821 CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CC(=CC=C3)NS(=O)(=O)C 1 1.566 3 6 0 -15.1472343008321 2998817 CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C)C 1 2.097 4 5 0 -24.2086804866882 2998808 CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)N(C)C)C(=O)CC(C2)(C)C)C 1 3.078 2 3 -37.7699743228017 2998796 CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C(=O)OCC 1 3.082 4 5 0 -27.3613188157904 2998795 CC(C)CC(C(=O)NC1=C(C(=C(O1)C2=CC=CO2)C3=CC=CO3)C#N)N4C(=O)C5=CC=CC=C5C4=O 1 4.44 3 6 0 -13.6620787960871 2998794 CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC=C3Cl 1 3.765 3 2 0.703685469587159 2998793 C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)NC4=CC5=C(C=C4)OCO5 1 2.931 2 5 0 -14.0445313041238 2998781 C1CN(CCN1C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4C#N 1 2.8e-002 5 5 0 -19.2572648748362 2998777 C1CCC(CC1)(CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CC=CO3)N4CCOCC4 1 2.919 3 5 0 -16.9624053377418 2998746 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC(C4=CC=CO4)N(C)C)C)C 1 3.236 3 4 0 -23.722502132706 2998741 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=CC5=C(C=C4)OCO5 1 1.33 4 6 0 -9.52807116052341 2998739 C1CN(CCN1CC(COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)O)C4=CC=CC=C4Cl 1 2.54 3 5 0 -15.2227366828753 2998734 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(S2)CCC3 1 2.53 1 5 -22.1701353372842 2998729 C1CN(CCN1C(=O)COC(=O)COC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3 1 2.035 2 6 0 -25.1214375872093 2998719 CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NCC3=CC=C(C=C3)C)N(C(=N2)CO)CCC 1 2.819 5 4 0 -14.9401257791853 2998717 COC1=C(C=C(C=C1)C(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O)OC 1 2.937 2 5 0 -8.50786442076418 2998715 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3CCCC3)C4=CC=CC=C4Cl 1 3.597 4 3 0 -24.3366851428655 2998709 CCOC1=C(C=CC=N1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.92 3 6 0 -25.9082215468322 2998707 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CN4C=CSC4=N3)C5=CC=CC=C5F 1 4.289 4 1 -14.188746085389 2998696 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4)N 1 2.768 5 3 0 -13.770970361451 2998687 CC1=CC(=C2C(=C1)C(=O)N=C(N2)C(C#N)C(=O)C3=NC(=NC=C3Cl)SC)C 1 3.618 5 2 0 -7.64910942347575 2998686 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.523 2 6 0 -21.6922734694577 2998682 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)C4=CC=C(C=C4)OC 1 1.556 6 4 0 -4.86474919458785 2998677 C1CN(CCN1CC2=NN=C(O2)C3=CC=C(C=C3)F)C4=C(C=C(C=N4)C(F)(F)F)Cl 1 4.226 5 1 5.63374015196955 2998676 CC1=CC(=C(N1CC2CCCO2)C)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 1.77 2 5 0 -14.0690339356259 2998674 C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCN5C(=O)C6=CC=CC=C6N=N5 1 5.39 6 3 0 -18.4616934627889 2998672 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)C 1 2.573 2 5 0 -19.3006839747627 2998670 C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)Cl)Cl 1 2.894 3 6 0 -16.7935584820603 2998668 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)OC)NC(=O)C3=CC=CO3 1 2.843 2 7 0 -20.6041992939949 2998660 CC1=CC=C(S1)C=C2C(=O)N(C(=C(C#N)C(=O)N3CCCC3)S2)CC4=CC=CO4 1 2.964 3 3 -9.58635758380841 2998638 CC1=CC(=NC2=NC(=NN12)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F)C 1 3.84 5 2 0 -8.90040797126496 2998634 CC(C)N(CC1=NN=C(O1)C2=CC=CC=C2Cl)C(=O)C3=CC=CC(=C3)C#N 1 3.589 4 2 -10.586626213842 2998625 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=C(C=CS3)C(=O)N 1 1.632 3 4 0 -13.9886144128909 2998616 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)NCC4=CC=CC=N4 1 3.096 4 3 0 -21.2174246469928 2998611 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4OC 1 2.57 3 5 0 -32.4324519880071 2998582 COC1=CC=C(C=C1)CCN2C(=O)CC(C2=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 1.911 3 5 0 -14.2231425351532 2998576 COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC5=C(C=C4)OCCO5 1 2.394 4 6 0 -18.452929994255 2998569 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.023 3 6 0 -22.0412493001228 2998565 C1CCN(C(C1)C(=O)NC2CCS(=O)(=O)C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.231 2 5 0 -19.399519597081 2998564 C1CCCC(CC1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.864 2 6 0 -27.4990309416047 2998561 CC(C)CNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3 1 1.821 3 6 0 -27.2891476397106 2998557 C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3N2CCC#N)S(=O)(=O)C4=CC=CC=C4 1 2.463 5 3 0 -27.7714202979853 2998553 CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1C4=CC=CC=C4 1 4.942 4 3 0 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CCC(C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NCC3CCCO3)N(C)C 1 2.76 5 2 0 -26.4559950201032 2997879 CC1(CC(=CC(=[N+]2CCCC2)C1)N3CCN(CC3)C4=CC=CC=C4)C.[I-] I- 1 3.838 3 0 0.284065601227909 2997877 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CN4C=CSC4=N3)S(=O)(=O)N5CCOCC5 1 1.821 4 5 0 -20.2229786268685 2997874 C1CN(CCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C(=O)NC4=CC=CC=C4 1 1.828 4 4 0 -19.6491146152075 2997872 CCCCN1C(=C(C(=O)N(C1=O)C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCC)N 1 1.359 5 5 0 -16.2960481828764 2997868 COCCN1C2=CC=CC=C2N=C1SCC3=CSC(=N3)C4=CC=CC=C4 1 4.683 3 1 -6.51634814823901 2997862 CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C4N3C5=CC=CC=C5C(=O)N4CC=C 1 4.761 4 4 0 -15.1259974057922 2997856 COC1=CC=C(C=C1)C(C(C(=O)C2=CNC3=CC=CC=C32)O)N4CCN(CC4)C5=CC=C(C=C5)OC 1 4.674 3 4 0 2.15929739410106 2997846 C1CN(CCN1C(=O)COC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4 1 3.459 2 6 0 -8.63585254705097 2997841 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4CC=CCC4C3=O 1 1.194 4 5 0 -15.4617024562346 2997839 CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4 1 3.688 4 5 0 -20.9580795583102 2997837 COC1=C(C=CC(=C1)Cl)NC(=O)COC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=C(C=C4)O 1 3.899 3 5 0 -8.05786276878866 2997822 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)OC3CC(CCC3C(C)C)C 1 4.246 2 5 0 -7.5843815820716 2997818 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CCN(CC3)C4=CC=C(C=C4)F)O 1 3.792 2 4 -3.60119761975897 2997809 CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC(=C(C=C3)OCC(=O)N4CCOCC4)OC 1 2.014 2 7 0 -25.5866645071923 2997766 CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CO2)Cl 1 3.307 3 5 0 -16.6597827412961 2997765 COCCNC1=NN=C(S1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 0.442 5 4 0 -34.4899553841885 2997761 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3 1 3.398 2 3 -7.32645080344147 2997758 CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)C 1 2.434 4 5 0 -20.8848447313731 2997756 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=NC(=N3)N)C4=CC=CC=C4 1 3.136 6 3 0 -16.7072067381268 2997743 CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCC5=CC=CC=C54 1 2.749 5 3 0 -17.4573282351831 2997741 C1=COC(=C1)COCC(CNS(=O)(=O)C2=CC=CS2)O 1 0.651 1 5 0 -11.6143471984457 2997730 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 2.905 2 7 0 -16.3881105105242 2997727 C1CCN(C(C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.58 3 3 -10.4143410217195 2997723 CC(C)N(C(C)C)C(=O)COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.652 3 4 0 -11.1785457534833 2997720 C1CN(CCN1C2=NC(=C(C(=C2C#N)CC#N)C#N)N)S(=O)(=O)C3=CC=CC=C3 1 0.808 7 2 0 -19.0955548310428 2997704 CC1=CC(=C(N1CC2CCCO2)C)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)Cl 1 3.375 5 2 0 -10.6011358508347 2997699 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)Cl 1 3.535 4 3 0 -7.29808547317339 2997696 C1CCN(C(C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)C3=CC=CC=C3 1 1.669 3 5 0 -20.465324370907 2997695 CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NN=C(N2CC=C)C3CCCCC3 1 3.136 5 3 0 -26.1442156244099 2997655 C1CN(CCN1C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F)C(=O)C5=CC=CO5 1 2.488 3 5 0 -14.1484548329339 2997694 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NC2=NN=C(S2)C3CC3 1 2.308 5 4 0 -32.7035426756493 2997688 COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)NC3CCCC4=CC=CC=C34)OC 1 3.131 5 3 0 -8.46930108371906 2997677 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)CCCOC2=CC=CC=C2 1 4.031 1 7 0 -13.1782721631151 2997675 CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=NC=C5 1 4.215 6 1 0 -8.76559450643673 2997662 CCC1=C(C(=NP(=N1)(N2CCOCC2)N3CCOCC3)N4CCOCC4)C 1 -0.648 5 3 0 -3.41757645645665 2997640 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3COC4=CC=CC=C4O3 1 2.539 2 5 0 -6.78752476949439 2997634 CCOC(=O)C1=C(NC(=C(C1C(=O)OCC(=O)N2CCC(CC2)C)C(=O)OCC)C)C 1 1.13 2 7 0 -22.4880787417609 2997631 C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=C(N3CCO)C=C(C=C4)Cl)C5=CC=CO5 1 5.003 5 2 0 -0.471998342312743 2997627 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OCC(=O)NC3=CC=CC(=C3)C#N 1 1.236 4 6 0 -32.8013860003184 2997618 C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N(C(=O)N3)CC4=NN=C(O4)C5=CC=CC=C5Br 1 3.203 5 3 0 -7.35227066130084 2997611 CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.051 2 5 0 -24.0477117198132 2997610 COC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2OC)OC)OC)S(=O)(=O)N3CCOCC3 1 1.353 2 8 0 -21.8484662831126 2997607 CCOC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 1 2.943 4 3 0 -2.17246362622143 2997601 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(ON=C3C)C 1 3.134 4 3 0 -22.3223317706563 2997598 C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4 1 1.905 2 6 0 -17.9315405622783 2997594 CN(C)C1NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1 1 3.174 3 1 -1.26221254384769 2997580 CSCCC(C(=O)OCC(=O)NC1=C(C=CS1)C#N)NC(=O)C2=CC=CO2 1 1.253 3 5 0 -25.3572504248192 2997579 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3 1 1.398 4 6 0 -8.3422145018179 2997553 CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CN3C=NC4=CC=CC=C4C3=O)C(=O)OCC 1 2.482 5 4 0 -16.9982344400279 2997549 CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCN5CCOCC5)N)C 1 3.7 5 3 0 -12.8555500948385 2997546 COC1=CC=C(C=C1)N2C(=NN=C2SCC3=NN=C(O3)C4=CC=CC=C4)C5=CC=CC=C5 1 5.044 5 2 0 -6.56082911205105 2997545 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=NC4=CC=CC=C4S3 1 2.841 2 5 0 -20.0267263561063 2997539 COC1=CC=C(C=C1)CCNC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.566 2 6 0 -24.5737893416954 2997534 CC1=NN(C2=C1CC3(C4N2CCCC4)C(=O)N(C(=O)N(C3=O)C)C)C5=CC=CC=C5 1 2.741 5 3 0 -5.60354540325875 2997532 COC1=C(C=C(C=C1)CCNC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC 1 1.459 3 6 0 -35.4090693452359 2997527 CC1=CC(=NO1)NC(=O)COC(=O)C(C(C)C)NC2=C(C=C(C=C2)C(F)(F)F)Cl 1 4.054 3 4 0 -18.1644434167359 2997518 CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)COC2=CC=CC=C2C3=CC=CC=C3 1 1.513 2 5 0 -19.8846807105634 2992722 COC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)C(F)(F)F)OC 1 4.94 4 2 7.05879407312856 2991881 COC1=CC=CC=C1C2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)C(F)(F)F 1 5.045 4 1 6.30547958371168 2991565 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCSC4=NC5=CC=CC=C5S4 1 2.487 6 3 0 -15.486045159352 2990159 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4F)CC(=O)OC 1 1.709 6 4 0 -11.5880748439871 2989139 CC1=NC(=NC=C1)SCCN2C3=C(N=C2N(C)CC4=CC=CC=C4)N(C(=O)N(C3=O)C)C 1 2.782 7 2 0 -15.6757941016518 2989085 COC1=CC=CC(=C1)C2=CC(=NC(=N2)NCC3=CC=CO3)C(F)(F)F 1 3.975 3 2 5.92387731188336 2988612 CC1=NN=C(S1)SC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C 1 2.672 6 2 0 -15.1095119251737 2984764 CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC3CCCCC3N2C(=O)C4=CC=C(C=C4)F)C 1 3.751 3 3 -15.7063876382615 2984340 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C5=CC=NC=C5 1 3.231 4 4 0 2.63490998900332 2983872 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C 1 3.443 3 4 0 -8.6745882303301 2983865 C1CN(CCC1C(=O)N2CCOCC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)F 1 0.795 3 4 0 -2.15359594532553 2983461 CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CCOC)C3=CC(=CC=C3)OC 1 1.905 3 7 0 -19.4448459756613 2983295 CC1CCC2=C(C1)C3=C(S2)N(C(=O)N4C3=NC=N4)CC(=O)C5=CC=C(C=C5)Br 1 4.879 4 2 -12.0044581250383 2982769 COC1=CC=CC=C1N(CC(CN(C2=CC=CC=C2)S(=O)(=O)C)O)S(=O)(=O)C3=CC=CC=C3 1 2.762 2 6 0 -14.5947989621447 2982662 C1CN(CCC1N2C3=CC=CC=C3NC2=O)C4CC(=O)N(C4=O)C5=CC=C(C=C5)F 1 1.911 4 3 0 1.21445271899936 2982630 CCOC(=O)C1CCCN(C1)C(=O)C2=NN3C=C(C=NC3=C2)Br 1 1.505 4 3 0 -11.3509859985753 2982337 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCN(CC3)C4CC(=O)N(C4=O)C5=CC=C(C=C5)F 1 2.429 4 4 0 -6.52091509553278 2982047 CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)N3CCCCC3)O 1 1.364 3 5 0 -18.2652175318306 2982029 CCOC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)C 1 3.141 2 5 0 -13.078686247004 2981975 CN(C)S(=O)(=O)N1CCN(CC1)CC(COC2=CC3=C(C=C2)C=C(C=C3)Br)O 1 1.696 3 4 0 -16.3299187327492 2981897 CC1=C(C=C(C=C1)N(C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C)C 1 1.844 3 6 0 -22.8631029654431 2981854 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)OC)OC 1 2.64 2 6 0 -14.6366518889896 2981832 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C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)S(=O)(=O)N5CCOCC5 1 3.211 4 4 0 -15.2403695353236 2953505 C1COCCN1CCNC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 1.054 4 5 0 -20.6552311379026 2953485 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)NC3CCCCC3)C)Cl 1 3.81 2 6 0 -20.1109174431444 2953453 CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)OC)C#N)C3=CC=CO3)C(=O)NC4=NC5=CC=CC=C5S4 1 3.964 5 4 0 -33.1637691429525 2953451 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 1.849 3 5 0 -9.17041405986962 2953423 COC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)N4CCCCC4)N 1 3.922 4 1 -0.892917564154544 2953312 CC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=CO4)C#N 1 3.607 3 3 -37.6236908327427 2953297 CC1=CC(=NC(=N1)NC(=NS(=O)(=O)C2=CC=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)OC)C 1 3.484 6 3 0 -7.00028817961193 2953142 CC(C)(C1C(C(=O)OC2=C1C=C(C=C2)Br)C(=O)C3=CC=CO3)C(=O)OC 1 3.982 0 6 -2.90252633622409 2952996 CC1=CC(=NC(=N1)SCC2=NN=C(S2)NC)C 1 1.266 5 0 0 -12.2838522404837 2952974 CC(C)(C1C(C(=O)OC2=C1C=C(C=C2)Br)C(=O)N3CCOCC3)C(=O)OC 1 2.284 1 6 0 -8.15404299106953 2952899 COC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4CCCO4 1 2.472 4 5 0 -28.325587912679 2952870 CCOC(=O)N1CCN(CC1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S 1 3.508 4 4 0 -13.8024136590891 2952839 CC1=CC(N2C3=C(C=C(C=C13)OC)C4(C2=O)C5=C(C=C(C=C5)O)OC(=C4C#N)N)(C)C 1 2.734 3 4 0 -3.95920110398378 2952826 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CN4C(=C(C(=N4)C)Br)C 1 4.507 6 2 0 -13.5976708803921 2952637 C1=CC=C(C=C1)C(CC(=O)O)CN2C(=NN=N2)SCC(=O)N 1 0.48 5 3 0 -24.4410952651394 2952511 C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)N4CCN(CC4)C5=CC=CC=C5 1 4.929 4 2 -9.68122289417558 2952468 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)CN5C(=O)C6=CC=CC=C6C5=O 1 3.4 5 3 0 -7.05193776765709 2952475 COC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CC=C)O.Cl Cl- 1 2.881 3 3 -7.19273493999355 2952399 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCCC3=NC4=CC=CC=C4N3 1 2.629 4 3 0 -16.1301212112117 2952290 C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=N3)NCCO.Cl Cl- 1 2.328 5 1 9.57107612357998 2952201 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)NCC4CCCO4 1 2.27 3 3 -15.3489225349519 2951817 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5 1 4.393 6 1 0 -5.61157122836865 2951717 CN1C=NN=C1SC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-] 1 4.029 6 4 0 -21.1781116023582 2951711 CC1=CC2=C(C=C1)N(C(=C2C)C)CC(CN3C(=C(C(=N3)C)Br)C)O 1 4.411 3 1 4.5716324680869 2951507 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 3.378 3 3 -11.2681681020036 2951463 CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C(=O)CC(C3)(C)C 1 4.159 4 2 -28.3872859756636 2951438 COC1=CC=CC(=C1)N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl 1 3.498 3 3 9.07522300674576 2951393 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCCN3CCC(CC3)C(=O)N 1 1.011 4 4 0 -8.48290296137136 2951066 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=CC=CC=C3 1 2.061 2 4 -21.7291372485177 2951054 CC1(C2(CCC1(OC2=O)C(=O)NC3=NC(=CC=C3)NC(=O)C45CCC(C4(C)C)(C(=O)O5)C)C)C 1 3.154 3 6 0 -7.45088893895293 2950937 CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=CC=N3 1 2.409 3 3 -17.0422199949426 2950862 CC1=C(C(=NN1CC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O)C)Br 1 0.864 6 3 0 -14.9138325756923 2950594 CC1=CC=C(O1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)C3=C(N=C(S3)C4=CC=CC=C4)C 1 2.913 3 4 0 -15.1137555236889 2950402 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 3.45 3 4 0 -12.8899499438811 2950382 CC(=O)NC1=CC=C(C=C1)OC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O 1 1.062 2 7 0 -18.6037060444633 2950375 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(COC3=CC=C(C=C3)N(C)C(=O)C)O 1 2.646 2 6 0 -14.2331620375184 2950328 CCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC=C(O4)C 1 2.586 3 5 0 -12.2607760486096 2950218 CCCC1=CC(=O)N=C(N1)NC(=NC(=O)C2=CC=CC=C2)NC3=CC4=C(C=C3)OCCO4 1 3.593 5 4 0 -17.3876073912843 2950074 C1CC(=O)N(C1)C2=CC=C(C=C2)CN3C(=O)CC(C3=O)N4CCC(CC4)(C5=CC=C(C=C5)Cl)O 1 2.141 3 4 0 -1.08411790431803 2949878 CCCCN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)C3=CC=CO3)O 1 3.312 1 4 -5.81278698274528 2949692 C1=CC=C(C=C1)C(=O)CC(C2=CN(C3=CC=CC=C32)CCC#N)C(=O)O 1 3.388 2 3 -8.43025861460578 2949254 CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC=CC=C4OC(C)C)C(=O)OCC5CCCO5 1 3.646 1 6 0 -50.7646226571408 2949152 CC1=CC=C(C=C1)NC(=O)C2=C(NC3=C(C2C4=CC=C(O4)C)C(=O)CC(C3)(C)C)C 1 3.313 2 3 -35.497445734475 2948702 CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)CC4=CC=CC5=CC=CC=C54 1 4.911 5 1 -5.02416443838035 2948660 CC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)OC4=CC=CC=C4OC 1 2.666 3 6 0 -19.779339431599 2948513 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCC#N)CC3=C(C=CC=C3Cl)F 1 3.737 5 2 0 -20.2639881005463 2948478 CC1=CC=C(O1)C2C3=C(C(=O)N2C4=NN=C(S4)C)OC5=CC=CC=C5C3=O 1 2.103 3 4 0 -12.9450425453658 2948147 CC1=C(SC(=N1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC=CS5)C(=O)OC 1 3.207 2 5 0 -15.0467214688327 2948117 CC1C2=C(CCN1C(=O)NC3=CC=CC=C3)C4=CC=CC=C4N2 1 3.666 3 1 -11.6370559395104 2947859 C1CC(OC1)CNC(=O)CN2C3=CC=CC4=C3C(=CC=C4)C2=O 1 1.317 2 3 0 -13.1087554489965 2947800 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2CC=C)C3=C(N=C(S3)N)C 1 3.108 6 3 0 -20.9702149666168 2947794 CC1CCN(CC1)C(=O)CN(C2=C(C=CC(=C2)OC)OC)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.892 2 7 0 -23.500526880205 2947789 CC(C)CC1=NN=C(S1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)N 1 2.763 6 2 0 -20.5246429288967 2947766 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CC=C3)C4=CC(=C(C(=C4Cl)Br)O)OC 1 4.65 4 3 0 -4.59720251962 2947717 COC(=O)C1=CC(=CC(=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)OC 1 2.356 3 6 0 -0.790939119588315 2947587 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4COC5=CC=CC=C5O4 1 2.909 3 5 0 -12.2625879860289 2947553 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)C(=O)OC 1 2.018 2 6 0 -15.3315472515017 2947397 CC(C)C1=NN=C(S1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC=CO5 1 3.087 3 4 0 -12.7294575208865 2947350 C=CCNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)OCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F 1 3.153 3 4 0 -19.0076382882105 2947294 CC1=CC2=C(C=C1)NC(CC2N3CCCC3=O)C4=CC=CO4 1 2.523 2 2 -9.73031174517151 2947183 C1CCC(CC1)N2C(=O)CC(C2=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.466 3 3 -9.37282022545659 2947109 CC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CCN4CCOCC4)O.Cl Cl- 1 2.593 4 3 0 -6.27794791692982 2947094 CC1CCCC(N1C(=O)COC2=CC=C(C=C2)N3CC(CC3=O)C(=O)NCC4=CC=C(C=C4)OC)C 1 2.798 3 5 0 -20.0051382836133 2947090 C1CCC(CC1)C2=C(C=CC(=C2)Cl)OC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5 1 4.384 5 3 0 -0.229170498740878 2946839 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC45CC6CC(C4)CC(C6)C5 1 3.345 6 3 0 -11.4729256127525 2946812 CC(=O)C1=CC(=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)O)OC 1 1.749 2 6 0 -27.0614751182166 2946698 CC1(CC2=C3C(=C(SC3=NC(=C2CO1)N4CCOCC4)C5=CC=C(O5)C(=O)O)N)C 1 2.97 3 5 0 -11.6427036542812 2946668 C1CCC(CC1)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Br)C5=CN=CC=C5 1 3.772 3 3 -8.11096967171559 2946611 CCCC(=O)NC1=C(C=CC(=C1)C2=NN=C(C3=CC=CC=C32)OC)N4CCOCC4 1 3.683 4 3 0 -13.0685930818711 2946550 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4CCCCC4)C5=CC=CC=C5 1 4.738 6 4 0 -19.6066334385962 2946378 C1C=C(CC2C1C(=O)N(C2=O)C(CC3=CC4=CC=CC=C4N3)C(=O)O)Cl 1 2.488 2 4 -3.20206716903262 2946036 COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)N3CCN4CCCC4C3)C(F)(F)F 1 4.376 4 2 -1.64408214435141 2945967 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 1 3.347 3 4 0 -17.1869962878043 2945826 CC(=O)N(C)C1(CCCC1)C2=NN=NN2CCOC(=O)NC3=CC=CC4=CC=CC=C43 1 2.459 6 3 0 -17.0441661540511 2945777 COC1=CC(=NC(=N1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4)OC 1 4.69 6 3 0 -17.8841278286132 2945494 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=O)C(S3)CC(=O)NC4=CC=CC=C4 1 1.995 5 3 0 -19.4633619468062 2945486 COC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2 1 2.515 1 4 -5.31388243936296 2945407 COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)CN3CCCCC3)OC)NC(=O)CN4CCCCC4 1 3.402 4 4 0 -6.59499144754984 2945402 CCN1C(=NN=C1SCC(=O)N2CCC(CC2)(C(=O)N)N3CCCCC3)C4=CC=CC=C4 1 1.974 6 2 0 -14.2893554448295 2945191 CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C)C(C(C)C)NC(=O)C3=CC=CC=C3Cl 1 3.724 6 2 0 -20.7277594290015 2944643 CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)Cl 1 4.376 3 3 -3.68544410641447 2943938 COC1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.407 3 4 0 -7.00041141713842 2943717 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=C(C=C4)S(=O)(=O)N5CCCC5 1 2.489 2 5 0 -14.500457404735 2943646 CCOC1=C(C(=CC(=C1)C2C(=C(OC(=C2C(=O)C)C)N)C#N)Br)O 1 2.328 2 4 -8.55516152214893 2943592 CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C(C)N(C2=CC=CC=C2)S(=O)(=O)C 1 2.525 3 4 0 -20.4342427076885 2943409 CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.849 6 2 0 -17.5144859389836 2943248 CCCNC(=O)C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.598 3 5 0 -25.4234541869157 2942992 CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)C3=CC=CO3 1 3.761 4 6 0 -23.191214903065 2942699 COC1=CC=CC=C1N2CCN(CC2)C(=O)COC3=CC=C(C=C3)S(=O)(=O)NC4CCCCC4 1 3.461 3 5 0 -12.4910206421403 2942645 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.257 3 4 0 -13.815866083433 2942509 C1CC(OC1)CNS(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=C(C=C4)S(=O)(=O)NCC5CCCO5 1 1.873 2 7 0 -11.6435145473106 2942174 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C(=O)CNC3=O)O)CC4=CC=CC=C4)C 1 2.599 3 6 0 -13.7940918778833 2942058 CC(C)(C)C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)NC3CCCCC3)C#N 1 4.156 4 2 -25.9137004748159 2942026 CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)NC3CCCCC3)C4=CC=CC=C4 1 4.291 3 4 0 -33.5717279575657 2941936 C1C(C(=C(NC1=O)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=CO3 1 1.873 3 3 0 -28.0594037190217 2941872 C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC(=C(C=C4)N5CCOCC5)NC(=O)C6=CC=C(C=C6)Cl 1 4.186 5 4 0 -14.6877496433508 2941837 CC(=O)NC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCCCC4)N5CCOCC5 1 1.857 5 4 0 -16.6509888992064 2941783 C1CN(CCN1C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=O)C5=CC=CO5 1 3.442 3 3 -3.74690359094283 2941732 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Br 1 3.493 4 3 0 -12.336790153102 2941157 CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)NC3=CC=C(C=C3)C)C4=CC=CC=C4 1 4.495 3 4 0 -30.0631988880953 2941095 CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CO3)C#N 1 3.716 3 4 0 -32.9523024360028 2941034 CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC=CO3)C#N 1 3.428 2 5 0 -38.1957543522573 2940993 COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=NC(=N3)OC)NCCC4=CC(=C(C=C4)OC)OC 1 3.855 6 4 0 -2.21730192396897 2940980 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(O4)COC5=CC=CC=C5Cl.Cl Cl- 1 4.257 2 5 0 -4.44093279340976 2940774 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3CCCCC3)S(=O)(=O)N4CCOCC4 1 2.971 3 5 0 -26.8088353103719 2940327 CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 2.838 2 5 0 -17.7110805502073 2940291 C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=C(N4CC5=CC=CO5)CC6=CC=CC=C6 1 4.411 4 2 -18.3593017743994 2940070 CN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)C3=CC=CC=C3O)O 1 2.346 1 4 0.641467667967809 2939851 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 1.627 3 6 0 -25.7396151126368 2939830 CC1CCCCC1NC(=O)CSC2=NN=C(N2C)CNC(=O)COC3=C(C=CC=C3C)C 1 3.513 5 3 0 -29.0189815559094 2939742 C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5 1 3.49 4 3 0 -21.5521338095604 2939726 C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3CCCO3)SC=C2C4=CC=CO4 1 2.972 3 4 0 -29.2844554204475 2939541 CN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)C3=CC=C(C=C3)F)O 1 2.794 1 3 -1.19593606898187 2938991 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4CCCO4)C 1 2.883 5 1 -3.43738360660125 2938951 CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)N4CCCCC4)C)Br)O 1 3.424 2 4 -28.9816834607206 2938621 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O 1 1.469 5 5 0 -22.6557654371548 2938425 CC1=C(C(=NN1CC(CN2C3=CC=CC=C3C4=C2C(=O)N(CC4)C)O)C)Br 1 3.073 4 2 -2.81821080313454 2938301 C1CN(CCN1CC(COCC2=CC=C(C=C2)Cl)O)CC(COCC3=CC=C(C=C3)Cl)O 1 3.489 2 4 -2.00192156584746 2938153 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4CC=C(CC4C3=O)Cl 1 2.134 4 4 0 -13.0955329555855 2937983 CC1=CC2=C(C=C1)N(C3=C2CCCC3=O)CC(CN4C(=NC5=CC=CC=C54)C)O 1 4.748 3 2 4.36858181375682 2937936 C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2C5=CC=CC=C5 1 3.931 3 4 0 -26.490427120983 2937571 CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 3.212 3 5 0 -13.3404920409516 2937065 CCC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=CC=C5)C)C 1 3.867 4 3 0 -20.9546499644559 2937052 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)OC 1 2.649 2 4 -12.4151433350391 2937022 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C4C(=CC=C3)OCCO4 1 1.888 3 7 0 -13.4997564220376 2936244 CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)CN5CCCC(C5)C)O 1 4.799 3 3 5.00720705224622 2955508 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=CC4=CC=CC=C43 1 1.93 5 2 0 -18.8082024066991 2955406 CCCC1=CC(=O)N=C(N1)NC(=NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4 1 3.176 6 4 0 -15.4055422862468 2954960 CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC(=O)NC4=CC(=C(C=C4)Cl)Cl 1 3.933 6 2 0 -13.427720327541 2954710 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4 1 2.03 2 6 0 -19.0488441071462 2954542 CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)S(=O)(=O)C 1 2.295 5 2 0 -8.59188584334934 2954536 CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.171 3 6 0 -10.7463268222441 2954479 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C(=C(C(=N3)C)Br)C)O)C)C 1 3.627 3 4 0 -6.0154161441987 2954467 CC(C)CNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)OCC(=O)NC3=CC(=CC=C3)OC 1 2.105 3 5 0 -16.8453952711414 2954466 CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C 1 3.439 6 2 0 -16.3206215636224 2954055 CN(C)CCN1C(C2=C(C1=O)OC3=C(C2=O)C=C(C=C3)Cl)C4=CC(=CC=C4)Br 1 3.909 2 3 -5.22830998629112 2953969 C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=N5 1 2.599 5 4 0 -15.9661457639927 4193266 C1CN(CCC1C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.187 4 7 0 -14.9214731571744 4193175 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CCSC5=NC=CC=N5 1 2.457 8 2 0 -10.4587858940287 4184537 CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 0.882 4 4 0 -25.1308020566604 4182743 CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.335 4 5 0 -34.0270805418275 4179579 CC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C4=CC=CC=C4OC)C)C5=CC=CC=C5OC 1 4.484 5 2 0 -2.76138398610919 4175768 CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.436 3 5 0 0.525970697058213 4172506 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(O2)COC3=CC=C(C=C3)Cl 1 2.186 4 5 0 -17.0174420295673 4165356 CC(C)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.16 4 5 0 -27.8831831821165 4161838 CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=C(N(N=C3C)CC4=C(C(=C(C(=C4F)F)F)F)F)C)[N+](=O)[O-] 1 5.724 4 5 0 -8.4064518333151 4160902 CC1=CC(=NO1)NC(=O)CSCC(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OC 1 2.112 4 5 0 -20.5936445835973 4160355 C1CCC(CC1)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 3.581 3 2 3.5250394450316 4153503 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Cl 1 5.762 4 4 0 -22.2482654716262 4151821 CCC1=NN=C(S1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3C)C 1 3.593 5 1 -15.8454143086016 4145602 C1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC=CO4 1 3.553 3 3 -21.5829580876355 4137900 CC(C)CC(=O)C(=O)[O-].[Na+] Na+ 1 -0.428 0 3 0 -5.00776066250325 4132898 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CNC(=O)C3=CC=C(C=C3)C(C)(C)C 1 2.359 4 5 0 -21.8160931508978 4132226 CCC1=NN=C(S1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C 1 3.107 5 1 -11.8988548140087 4132225 CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)NC3=NN=C(S3)C 1 2.44 5 1 -10.9353964624875 4127748 COC1=CC=CC(=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=CS5 1 3.723 2 4 -7.97371248131672 4124189 CC1CCN(CC1)C2=NC3=C(N2CCSC4=NC=CC=N4)C(=O)N(C(=O)N3C)C 1 2.085 7 2 0 -15.9005605998513 4122238 C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N 1 1.196 4 4 0 -21.6510300170203 4122236 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N 1 1.932 4 4 0 -23.1149169873541 4122063 C1CN(CCN1CCC#N)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -0.313 4 5 0 -20.8142918936195 4121843 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=NC4=CC=CC=C4S3 1 2.945 4 2 -0.527533807414369 4120148 C1CCC2=C(C1)C=CC(=C2)C3=NN=C(O3)NC(=O)C4COC5=CC=CC=C5O4 1 3.741 3 4 0 -4.00526542713096 4119265 COC1=CC=CC=C1CNC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 3.119 5 1 0.338729605586448 4118032 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N 1 1.583 4 4 0 -18.5046370917359 4112244 CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3CCC(=O)N3CC4=CC=C(C=C4)F 1 2.566 2 4 -12.4406042062718 4112011 C1CCN(C(C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5 1 4.418 3 3 -19.5263369236799 4108711 CC1(CCC(=O)N1CC2=CC(=CC=C2)OC)C(=O)NC3CCCCC3 1 2.767 2 3 -8.43664337132891 4108660 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)NCCOC)OCC 1 2.096 3 6 0 -17.4016163267505 4103652 CC(=O)NC1=C(OC2=C1C=C(C=C2)Br)C(=O)C3=CC=C(C=C3)OC 1 3.681 1 4 2.09978695141819 4096501 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)CCOC 1 2.483 3 4 0 -19.1346789167151 4092554 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl 1 4.104 2 5 0 -5.45281275485798 4092136 CCN1C=C(C2=CC=CC=C21)SCC(=O)NCC3CCCO3 1 2.638 2 2 -18.7668177985222 4091023 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.303 3 6 0 -14.2005142153058 4086973 CCOC(=O)N1CCN(CC1)C(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)F 1 3.119 3 5 0 -10.056072405237 4086582 C1CN(CCN1C2=CC=CC=N2)C(=O)CCNS(=O)(=O)C3=CC(=CN=C3N)Br 1 0.663 6 3 0 -10.6053974050567 4085155 CC1CC(CC(C1)(C)C)NC(=O)C2=CN=C3N(C2=O)CCS3 1 2.215 3 2 -14.1039717843992 4079831 CC1=CC2=C(N1)C=CC(=C2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.865 3 4 0 -22.3802569030838 4079808 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N(C)CC4=CC=CC=C4 1 3.827 5 0 5.62769129718352 4079522 COC1=CC=CC=C1C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 3.103 3 3 -1.71710235655401 4079114 C1CN(CCN1C2=CC=C(C=C2)F)C(CNS(=O)(=O)C3=CC=CS3)C4=CN=CC=C4 1 2.962 4 2 -13.9567497706064 4078201 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC=C(C=C2)C(=NNC(=O)C3=C(C(=NN3C)C)Br)C 1 4.891 5 3 0 -12.2897541377209 4076092 CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.878 2 7 0 -21.9866276580243 4070655 CC1=NN=C(S1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4 1 3.099 5 2 0 -23.7678197791994 4065691 CC1CCN(CC1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)NCCN4CCOCC4)C 1 6.e-002 5 5 0 -33.45887937203 4065616 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=NOC(=C3)C)CCC4=CC=CC=C4 1 3.009 4 3 0 -25.6242506524576 4063939 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=CC=C(O3)Br 1 3.229 2 2 -9.06541211229024 4062157 CC1=CC=C(C=C1)C(C2=C(N3C(=NC(=N3)C)S2)O)N4CCN(CC4)CCO 1 2.384 5 2 0 -0.41666056342126 4060527 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 2.612 3 6 0 -19.1389194374439 4057742 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 3.148 4 7 0 -11.3662342540765 4056808 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N)CC3=CC=CC=C3 1 1.767 3 2 0 -15.1168967546691 4073130 COC1=CC=CC=C1N2CCN(CC2)C(CNS(=O)(=O)C3=CC=CS3)C4=CN=CC=C4 1 2.74 4 3 0 -16.9599851462146 4048413 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3CCCCC3)SC 1 3.31 4 2 -16.7586607911477 4034937 COC1=C(C=C(C=C1)CCNC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC 1 2.123 3 6 0 -32.6910610154129 4033962 COC(=O)C1(N=C(N2C3=CC=CC=C3SC2=N1)N4CCOCC4)C(F)(F)F 1 3.223 4 3 0 -2.63553300301004 4023775 CCCC1(C2C(C(N1)C3=CC=CC=C3O)C(=O)N(C2=O)C4=CC(=CC=C4)Cl)C(=O)O 1 0.472 2 5 0 8.66228905448679 4020523 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.156 3 5 0 -7.56736581538379 4016701 COC1=C(C=C(C=C1)CCN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=CS4)OC 1 2.364 4 6 0 -12.7295910421359 4015001 CCCSC1=NN=C(S1)N2C3=C(C(CC2=O)C4=CSC=C4)C(=O)CCC3 1 3.424 3 2 -21.6507625172188 4013386 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NN=C(O4)C5=CC(=CC=C5)S(=O)(=O)N6CCCCC6 1 4.158 4 4 0 -26.2049827257448 4000746 CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NN=C(N3C4=CC=CC=C4F)C5=CN=CC=C5 1 4.245 5 2 0 -20.1207525899854 3999911 CC1=NN(C(=C1C=NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-])Cl)C4=CC=CC=C4 1 4.428 6 6 0 -6.17599633873346 3979486 CC1(C(SC(=S)N1C)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)[N+](=O)[O-])C 1 4.304 4 6 0 -6.40546195162078 3963645 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=CS4)C 1 4.57 1 6 0 -15.3945190603857 3961230 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NN=C(O3)C4=CC(=C(C(=C4)OC)OC)OC 1 2.376 5 6 0 -21.6463905632118 3960952 C=CCN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CO2)COC3=CC=CC=C3C4=CC=CC=C4 1 3.984 5 4 0 -20.1621317261208 3957928 C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3CCS(=O)(=O)C3)C4=C(C=C(C=C4)Cl)Cl 1 4.163 4 3 0 -21.3836798780468 3954939 C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl 1 3.388 4 5 0 -8.38579044444749 3939743 CC1CC(CN(C1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5O4)C(=O)N(C(=O)N3C)C)C 1 3.797 6 3 0 -15.7495287107216 3936958 C1CC1C2=NN=C(S2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)Cl 1 3.518 5 3 0 -20.0788200739946 3895178 CC(C)CN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 3.712 5 4 0 -31.6586896113681 3888171 C=CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C4CCCCC4 1 3.762 5 5 0 -22.9895544774333 3881360 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCSC4=NC5=CC=CC=C5O4 1 2.953 6 3 0 -6.19623508028122 3865157 CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)C(=O)OC)C(=O)OC(C)C 1 3.036 2 5 0 -30.4557065644108 3847342 C1=CC(=CC=C1NC(=O)NCCNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)OC(F)(F)F 1 5.904 3 5 0 -12.0609784778929 3840515 CCCN1C2=C(N=C1N3CCN(CC3)CC(=O)C4=C(N(C5=C4C=C(C=C5)OC)C)C)N(C(=O)NC2=O)C 1 2.492 7 4 0 -5.20149861944303 3836416 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C3=NN=C(N3CC=C)SCC4=CC(=CC=C4)C(F)(F)F 1 6.719 6 0 -10.406914812151 3835686 C1CS(=O)(=O)CC1N(CC2=CC=CS2)C(=O)C3=C(C4=CC=CC=C4S3)Cl 1 3.892 1 3 -9.25404913967912 3829191 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C(=NC(=N3)C)C)O)CC4=CC=CC=C4)C 1 3.566 4 4 0 -7.59337986256915 3825054 CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC=C4)OC(=O)C5=CC=CS5 1 3.846 3 3 -9.94303659037808 3820099 CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SC)SC5=C3CC(OC5)C(C)C 1 4.788 4 2 -15.1183653665419 3817662 C1=CC=C(C(=C1)CON=CCC2=C(C(=NS2)SC3=C(C=C(C=N3)C(F)(F)F)Cl)C#N)Br 1 6.79 4 1 1.04050937522839e-002 3802283 CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SC(C)C(=O)OC)SC5=C3CCCC5 1 5.185 4 3 0 -21.2522227936038 3782202 COC(=O)C1=C(SC2=C1CCN(C2)C3=C(C=C(C=N3)C(F)(F)F)Cl)N(S(=O)(=O)C)S(=O)(=O)C 1 3.057 3 6 0 -7.58317583456266 3775722 C1=CC(=C(C=C1C(=O)NNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)Cl)Cl 1 5.182 2 4 -9.03678631801442 3771553 CCCCCN1C2=C(N=C1SCC3=CC=CC(=C3)C)N(C(=O)NC2=O)C 1 4.632 4 2 -11.3060142377815 3754375 CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)C3=CSC(=N3)N4C(=CC(=N4)C)C(F)(F)F 1 6.263 6 0 -11.51947660907 3751160 CCN1C(=C(SC1=C2C(=O)N(C(=C3C(=O)N(C(=S)N3C4=CC=CC=C4)C)S2)CC=C)C)C 1 4.792 4 2 -10.3828611340809 3750788 C1=CC(=C(C(=C1)Cl)CON=CCC2=C(C(=NS2)SC3=C(C=C(C=N3)C(F)(F)F)Cl)C#N)F 1 6.911 4 1 -2.73861297235012 3749455 COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-] 1 3.931 5 3 0 3.27255260869469 3743938 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NC5=CC(=CC=C5)OC(=O)C6=CC=C(C=C6)[N+](=O)[O-] 1 5.265 5 6 0 -8.56473371059316 3743017 CC(C)COC(=O)C1C2C=CC3(C1C(=O)N(C3)C(C)C4=CC=C(C=C4)Br)O2 1 3.08 1 4 -0.798754292019409 3739263 C1=CC(=CC=C1NC(=O)NCCNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)Cl 1 4.449 3 4 0 -11.959826106928 3739028 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC=CS3 1 1.663 3 3 0 -14.378609693613 3729980 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F 1 4.795 2 4 -7.9855000538633 3725884 CCCCNC1=NC2=C(N1CCC)C(=O)N(C(=O)N2C)C 1 1.979 5 2 0 -16.3389427525776 3722217 CC1CCCN(C1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 2.994 5 0 2.50739471565921 2391814 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CC3=CC=C(C=C3)OC 1 1.433 3 5 0 -20.0256489257689 2391688 C1CN(CCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)C(=O)C5=CC=CO5 1 4.109 3 5 0 -9.65686345417198 2390996 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O 1 1.835 2 7 0 -23.1948145777109 2390473 CC1=C(C(=NO1)C)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCOCC4 1 1.709 3 5 0 -24.0661012685636 2389306 CC1=CC(=C(C=C1)OC)N2C(=C(C(=C2N)C#N)C#N)C3=C(C(=C(C=C3)OC)OC)OC 1 4.072 4 4 0 -6.81393537516161 2387946 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)NC(=O)C3=CC=CO3 1 3.983 3 5 0 -8.18335461217903 2386361 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.037 3 4 0 -6.84851414778728 2382804 CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)C 1 2.314 6 3 0 -22.81089700311 2380862 COC1=CC=C(C=C1)C2=CSC(=N2)CC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5 1 3.5 5 2 0 -1.04358328962269 2377841 CC1=C(C(=NO1)C)CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4 1 4.628 5 1 -10.5355114846936 2377356 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 3.48 2 6 0 -9.77946716273394 2377339 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 2.288 3 5 0 -8.29519661325917 2377077 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)SCC(=O)O 1 1.252 2 5 0 -11.0256042842118 2376830 COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.093 2 8 0 -27.0779302054709 2374909 C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NCCO 1 1.175 1 5 0 -6.43311150800869 2369828 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4 1 4.341 6 3 0 -12.9105615385049 2369697 CC1=CC(=C(C=C1)C)NC(=O)CN2C(=O)C(=C(N(C2=O)CCOC)N)NCC3=CC=CC=C3 1 1.477 5 4 0 -12.8382436253288 2369592 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.6 3 5 0 -11.4725697736292 2369511 C[C@@H](C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=C(C=C2)Cl 1 1.856 3 4 0 -17.2187308681439 2368801 CCOC(=O)C1=C(N(C(=C1C)P(=S)(N2CCOCC2)N3CCOCC3)C)C 1 1.096 3 4 0 -6.66127192100497 2368566 CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CN3C(=O)CN(C3=O)C)C 1 1.452 4 5 0 -15.8157142569842 2368254 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5 1 3.625 2 6 0 -14.3969322699016 2368170 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC(=O)CN3N=C(N=N3)C4=CC=CC=C4)C)C 1 3.453 5 3 0 4.7777074721333 2367657 C1CN(CCN1C(=O)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CO5 1 3.4 4 5 0 -2.15722550663361 2366890 C1=CC=C(C(=C1)C2=NN=C(O2)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O)Br 1 3.426 3 3 -2.6468043451814 2365360 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N)NC(=O)C4=CC=CO4 1 4.492 3 5 0 -29.0336173881634 2364791 C1CN(CCN1C(=NS(=O)(=O)C2=CC=CS2)C3=CC=CC=C3Cl)C(=O)C4=CC=CO4 1 3.383 3 4 0 -9.05676162997067 2364091 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)N 1 1.77 4 6 0 -16.8793753985895 2363621 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 0.544 5 5 0 -21.4103000735488 2361958 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3CCC4=CC=CC=C4C3 1 3.129 3 4 0 -13.8193336080862 2361764 CCOC(=O)CC1=CSC(=N1)NC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CS3 1 2.594 3 6 0 -18.1086715254739 2361005 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)C3=NN=C(O3)C4=CC=CC=C4 1 3.465 3 4 0 -13.6339800601379 2360612 CN1C(=NC2=C(P1(=O)N3CCOCC3)C=C(S2)C(=O)OC)C4=CC=CC=C4 1 1.638 3 4 0 -5.38513468927003 2359520 COC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)OC)C5=CC=CC=C5 1 5.311 5 5 0 2.04355456522298 2359158 CCOC(=O)C(=O)C1=CSC(=N1)NC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)F 1 2.864 3 7 0 -12.635278711263 2358042 COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CO2)NC(=O)C3=CC=CS3)OC 1 2.215 2 7 0 -24.0573550855357 2357510 C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NCC4=CC=CO4 1 2.285 2 6 0 -31.1847783432829 2354936 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C1=CSC(=C1)S(=O)(=O)N(CCOC(=O)C2=CC=NC=C2)CCOC(=O)C3=CC=NC=C3 1 1.44 3 6 0 -11.4118447569223 2342919 C1=CC=C(C(=C1)C(=O)NC2=NN=CS2)NS(=O)(=O)C3=CC=CS3 1 1.362 4 3 0 -13.3222043940892 2366734 C1CN(CCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)C5=CC=CO5 1 3.36 3 5 0 -12.0916262165783 2366561 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3C(=O)C4=C(C3=O)C(=CC=C4)N 1 2.054 3 5 0 -18.6453132021664 2365408 C1CN(CCN1C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CO4 1 2.631 2 6 0 -13.5969793406567 2341056 CC(C)[C@@H](C(=O)NC1CCCCCC1)NC(=O)C2=CC=CC=C2Cl 1 4.403 2 2 -19.1536619006512 2339208 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=CC=C5F 1 4.723 5 2 0 6.975182996324e-002 2338757 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NC5=C(S4)CN(CC5)CC6=CC=CC=C6 1 4.332 4 3 0 -20.6923112738112 2338753 CC1=NN(C(=C1C=NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)N5CCCC5)C6=CC=CC=C6 1 5.163 6 1 0 0.547050176703663 2338736 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC(=O)NCC3=CC=CO3 1 2.926 2 5 0 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7.251 4 2 4.38515544351057 2322442 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O 1 2.409 3 4 0 -9.78267576800824 2321979 CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CC#N 1 2.507 2 5 0 -13.1956248028661 2321536 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(N3)CC4=CC(=CC=C4)C(F)(F)F 1 3.052 3 3 -11.9038906414257 2320436 CC1=NN(C2=C1P(=S)(OC(=N2)C3=CC=C(C=C3)F)N4CCCC4)CCC#N 1 2.873 5 1 -5.17467827516029 2320033 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.592 3 4 0 -1.79975115301894 2320017 CC1=CS/C(=C(/C#N)\C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)/N1C5=CC=C(C=C5)OC 1 3.616 6 2 0 -8.69093158209538 2316382 CN(C)P(=O)(C(=NC1=CC=CC=C1)N2CCCC2)N3CCCC3 1 1.73 4 1 0 -1.18543346806043 2316268 CC1=NN(C2=C1P(=O)(OC(=N2)C3=CC(=C(C(=C3)OC)OC)OC)N4CCOCC4)C5=CC=CC=C5 1 2.544 4 6 0 -6.01108330670859 2314524 CCCCN(C(=O)NC(=O)C1=C(/C(=C/C2=CC=CC=C2)/CC1)N3CCOCC3)S(=O)(=O)C 1 2.843 3 5 0 -3.34770576263368 2310797 COC1=C(C=CC(=C1)/C=C\2/C(=O)N3CCCCCC3=N2)O 1 2.116 2 3 -7.17570653115518 2310181 CCOC(=O)C1=C(N(N=C1)C2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)N 1 2.611 3 6 0 -11.712529974192 2309937 C1=CC=[N+](C=C1)C2=NC3=CC=CC=C3N=C2C(=C=[N-])C#N 1 3.495 5 0 -5.75877562409523 2309170 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4 1 3.257 3 4 0 -26.4253187681121 2308590 CCOC(=O)C1=C(SC(=C1C2=C(C=C(C=C2)OC)OC)C(C(F)(F)F)(C(F)(F)F)O)N 1 4.146 1 5 -3.54749351764512 2307733 C1=CC=C(C=C1)C(=NC2=C[N+](=CC=C2)C3=NC4=CC=CC=C4NC3=C(C#N)C#N)[O-] 1 3.41 6 1 0 -9.6565898276043 2304291 CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC=CC=C3F 1 2.454 6 2 0 -28.1956367833109 2301970 C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64 1 6.692 4 1 -5.27527867400731 2301866 CC1=CC(=CC(=C1)OCC2=NN=C(O2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C 1 3.915 4 3 0 -14.8688532559671 2292580 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3OC)C 1 2.228 4 5 0 -15.3983501184407 2289116 CC1=CC(=CC(=C1OCCOCCOC2=C(C=C(C=C2)C=O)OC)Cl)Cl 1 4.872 0 5 -3.78319297545786 2288882 CC1=CC(=C(C=C1)OCCOCCOC2=C(C=C(C=C2Br)C)C)OC 1 5.505 0 4 -1.04336596612731 2288023 CC1=CC(=C(C=C1)C)S(=O)(=O)NCCOC(=O)NC2=C(N(C(=S)S2)C)C 1 3.916 3 4 0 -11.7675352682569 2286610 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)C)/SC2=O)C 1 5.077 2 6 0 -6.38045736958431 2279376 COC1=C(C=C(C=C1)CCNC(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C)OC 1 1.845 2 7 0 -20.4981781923649 2274268 C1CCC2=C(C1)C3=C(C=C(C=C3)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])OC2=O 1 5.73 1 5 -4.14212731383728 2273186 C1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5 1 4.503 3 4 0 -8.1624284022679 2267126 CCCCOC1=CC=C(C=C1)NC2=NC3(CCCCC3)N=C(N2)N 1 3.662 5 1 -1.34424906475525 2266566 C1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5 1 4.182 3 4 0 -7.53615919148048 2265956 C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)SC4=CC=CC=C4)/C(=O)NC2=O 1 4.285 2 4 0.285501862155966 2264774 COC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl 1 2.853 3 4 0 -18.1633547046792 2263393 CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)C(=O)OCCOC 1 2.696 1 6 0 -11.0245924478505 2253012 CC1(OC2=C(C3=C(C=CC(=O)O3)C=C2)/C(=C/NCCN/C=C/4\C(=O)C(OC5=C4C6=C(C=CC(=O)O6)C=C5)(C)C)/C1=O)C 1 2.875 2 8 0 -7.25238175538695 2249091 CC1=CC(=C(C=C1)C)N(CC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4 1 5.3 4 6 0 -12.4024086283214 2248672 COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 4.668 1 8 0 -10.0645145982836 2238974 CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC(=C3OC)Cl)Cl 1 3.306 3 3 -4.27515176122339 2238579 C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)CN5CCOCC5 1 3.595 5 2 0 -17.8499801493713 2238233 CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 2.539 5 4 0 -11.0719925989582 2238215 CCN(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)S(=O)(=O)C2=C(C=CC(=C2)C)OC 1 1.107 3 6 0 -18.1784905618013 2238103 CCCCSC1=CC(=NC2=NC=NN12)C 1 2.932 4 0 -9.96357202040457 2237315 CCOC1=CC(=CC(=C1OCC)OCC)C2=NC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC 1 4.093 2 7 0 -4.42270962271413 2236909 CCC(=O)N1C(=NC(=N1)NCC2=CC(=C(C=C2)OC)OC)NCC3=CC(=C(C=C3)OC)OC 1 3.083 5 5 0 -9.67998248522686 2234300 C1=CC=C(C=C1)CC2=NC(=NN2)SCC(=O)NC3=C(C(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C#N 1 5.684 5 2 0 -8.46711245317241 2233458 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C)C3=CC(=C(C=C3)Cl)Cl 1 4.092 3 5 0 -14.6542953557644 2231913 CS(=O)(=O)N(CC(=O)NCCSCC1=C(C=CC=C1Cl)F)C2=CC3=C(C=C2)OCO3 1 2.842 2 5 0 -21.3521750034697 2231882 CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)NC3=CC=CC=C3C 1 5.174 2 3 -12.0212503321799 2231557 COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)F)C5=CC=NC=C5)OC 1 4.173 6 3 0 -3.34869906077606 2231483 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCCC3 1 2.36 2 5 0 -9.47106996997542 2230814 COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F)F)Br 1 5.42 2 3 -1.39462032450459 2229300 COC1=CC=CC=C1N2CCN(CC2)C(=O)CN(CC3=CC=C(C=C3)Cl)S(=O)(=O)C 1 2.497 3 4 0 -7.02700605537103 2229150 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 3.499 3 3 -0.156369479740089 2228394 C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4)NC5=CC=CC=C5 1 2.615 6 4 0 -13.9044568817725 2228153 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)NC3=CC=CC=C3C(=O)OC 1 2.369 2 6 0 -23.3608899333137 2228068 CC(C)NC(=O)C1=CC=CC=C1NC(=O)CCS(=O)(=O)CC2=CC=CC=C2 1 2.181 2 4 -23.005724696756 2227841 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4 1 3.983 4 4 0 -12.7568433639095 2227567 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC 1 2.561 2 6 0 -16.2998609661237 2227064 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)C(F)(F)F)Cl 1 4.163 3 3 4.02474437364019 2225058 COCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 0.428 3 7 0 -25.4645855141577 2224948 COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3N)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl 1 4.532 5 3 0 -6.95824842583542 2224202 COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4 1 4.253 6 2 0 -8.90722101492716 2224029 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C(C)C)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.99 3 3 4.95659444012886 2223195 CS(=O)(=O)N(CC(=O)NCCSCC1=CC(=CC=C1)Cl)C2=CC3=C(C=C2)OCO3 1 2.636 2 5 0 -17.3801627354938 2222016 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 2.32 4 4 0 -22.4681282366002 2221791 CC1=CC(=C(C=C1OCC(=O)NC2=NN=CS2)S(=O)(=O)NC3CCCCC3)Cl 1 2.843 4 4 0 -13.0376905824102 2221587 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O 1 1.327 2 8 0 -20.1083777520243 2220151 C1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CN3C=NC4=CC=CC=C4C3=O)C5=CC=CC=C5 1 4.028 4 3 0 -8.44038653347811 2220148 C1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CCN3C=NC4=CC=CC=C4C3=O)C5=CC=CC=C5 1 4.276 4 3 0 -6.02802916205933 2219806 CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.413 2 5 0 -19.1069954518907 2219666 C1COCCN1CCCNC2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 2.511 3 5 0 -10.8840798457443 2219551 COC1=CC(=C(C=C1S(=O)(=O)NCC2=CC=CO2)S(=O)(=O)NCC3=CC=CO3)OC 1 1.15 2 8 0 -9.10902400787807 2219480 CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)C5=CC(=CC(=C5)OC)OC 1 5.796 5 4 0 -12.1769688617435 2219315 CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4)C5=CC=CC=C51 1 4.484 6 1 0 -17.9439256582028 2219307 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3Cl 1 3.224 3 6 0 -19.8357870421088 2219259 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)CCSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 5.97 5 2 0 -8.71033012204374 2218973 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CS5 1 4.395 4 3 0 -20.7046079281502 2218748 CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3CC)C4=NC=CN=C4)C5=CC=CC=C51 1 3.568 7 1 0 -10.6746961908719 2217920 CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N 1 1.908 5 5 0 -23.0647329945057 2216658 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3=CC=C(O3)C(=O)OC)C)C 1 2.626 3 5 0 -25.306397747549 2215707 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC(=NC3=C2C4=C(S3)CCC4)C 1 3.791 3 2 -23.3264639960657 2215632 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(N(N=C3)C4=CC=CC=C4Cl)NC(=O)C5=CC=CO5 1 3.595 4 5 0 -12.0343665200709 2215407 CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)CNC(=O)C3=CC=CO3 1 3.455 5 3 0 -17.2593066113334 2215369 CN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C3=CC=CC=C3)CCNC(=O)C4=CC=CS4 1 3.25 6 2 0 -17.9311032808853 2214417 CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CO3)OC 1 4.012 2 4 -2.90921606145637 2214286 CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2C(=O)OC)OC 1 1.908 2 6 0 -17.363850662639 2214214 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)CCCOC3=C(C=C(C=C3)Cl)Cl 1 3.775 5 2 0 -13.3542544178082 2214115 CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CO5)C 1 3.893 4 5 0 -8.96336402659205 2213848 CCOC(=O)N1CCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)OC 1 1.679 4 4 0 1.90600373184401 2235757 C1COCCN1CC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=C(C=CC(=C4)Cl)O 1 3.737 5 3 0 -10.3906897477162 2235751 CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.796 4 4 0 -22.2043090218093 2213730 COC1=CC=C(C=C1)C2=NOC(=N2)CN3CCC(CC3)CC4=CC=CC=C4 1 4.127 3 2 9.27559293931805 2213548 C1=CC=C(C=C1)OCC2=NN=C3N2N=C(S3)C4=C(C=CC(=C4)Cl)Cl 1 4.542 4 1 -1.51952929347096 2213091 C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CNC(=O)C3=CC=CS3 1 4.042 4 2 -20.3535908492392 2212827 CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CNC(=O)C4=CC(=C(C=C4)Cl)Cl 1 4.481 6 2 0 -33.0467413126552 2212806 CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CO3)N4CCCCC4 1 4.36 3 3 -2.20596201293416 3568848 CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)Cl)N4CCN(CC4)CCO)O 1 2.562 5 2 0 1.59363472149936 3560621 C1CN(C2=CC=CC=C21)C(=O)CN3C(=O)C4=C(N=CN4CC5=CC=CC=C5)N(C3=O)CC6=CC=CC=C6 1 3.984 5 3 0 -19.5537472595927 3560261 CC1=CC(=C(N1C)C)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)C)C4=C(C=C(C=C4)OC)OC 1 3.536 3 4 0 -25.306419211492 3554231 CC1CCCN(C1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl 1 3.658 5 0 4.99588591683366 3553889 COCCNC(=O)CN1C(=O)CSC2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3 1 0.803 3 5 0 -30.0441676660154 3551653 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CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC(=O)NC3=CC=C(C=C3)OC(F)F 1 2.776 3 8 0 -16.469017850832 3427550 CC(=C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)C 1 2.359 1 4 -1.05875696887395 3421586 C1=CC(=CC=C1S(=O)(=O)NCCNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)Cl 1 4.244 2 5 0 -13.6003633053613 3421332 CC1=C(C=C(C=C1)NC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4)S(=O)(=O)N5CCOCC5 1 3.433 3 5 0 -19.008350949422 3419799 COC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)SCC3 1 3.354 3 3 -16.8477701621691 3414158 CCOC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)Cl)C3=C(N4C(=NC(=N4)C)S3)O 1 3.353 5 3 0 -4.29288700541492 3408722 CCCCN1CCCC1CNC(=O)C2=C(C3=CC=CC=C3C(=C2)C#N)OC 1 3.766 3 2 -8.75783456205572 3406874 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCCCN3C(=O)C4C5CC(C4C3=O)C=C5 1 1.321 4 4 0 -19.4507164702926 3404474 C1COC2=C(O1)C=CC(=C2)C3=NN=C(O3)NC(=O)C4=CC=C(C=C4)CC5=CC=CC=C5 1 4.215 3 4 0 -5.78805151851222 3387518 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CCC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.918 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-6.81740375769659 3245986 C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Br 1 2.057 3 5 0 -20.9256401561078 3245970 CC1=C(C(=NN1CC2=CC(=C(C=C2)Cl)Cl)C)NC(=O)C3=NOC(=C3)C4=CC5=C(C=C4)OCO5 1 5.065 4 4 0 -4.88831911892254 3245959 C1CCC(C1)NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 3.049 4 3 0 -16.7657232249239 3245957 CCN(CC)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCC3=CC=CC=C3 1 2.719 4 3 0 -12.6444643525807 3245956 COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3=C(C=CC(=C3)Br)OC 1 3.203 3 4 0 -11.3877837882648 3245955 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N(CCN(C)C)CC3=CC=CC=C3)OC1=O 1 2.441 3 6 0 -15.8169744124749 3245938 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)NC(=O)C)CC4=CC=CN4C 1 3.853 6 2 0 -20.1748344634116 3245935 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)NC1=O 1 1.719 3 6 0 -18.5606033931644 3245932 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CN3C=CSC3=N2 1 0.131 4 3 0 -10.6479263550176 3245928 CC1=CC=C(C=C1)N(CC(=O)NC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=C(ON=C3C)C 1 3.398 3 4 0 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2.16 4 4 0 -22.9965027258369 3245847 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(=O)C)C3(CCCCC3)C(=O)NC4CCCC4 1 2.638 4 3 0 -19.7630417589656 3245845 C1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCCC(=O)NC4=NC(=NS4)C5=CC=CC=C5 1 4.741 6 1 0 -7.72001888998004 3245842 C1CC(OC1)CNC(=O)CSC2=C(N=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F 1 3.584 2 5 0 -17.3264457765757 3245839 CCN(C1=C(C=CC(=C1)C)C)C(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)C 1 3.171 2 4 -13.8972428736461 3245837 C1CN(CCN1CC(=O)NC2=CC=CC=C2C(F)(F)F)CC(=O)NC3=CC=CC=C3F 1 2.698 4 2 -5.8005281824878 3245817 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CS4 1 1.776 2 5 0 -14.1802682892112 3245813 CC(COC)NC(=O)NC1(OC2=C(O1)C=C(C=C2)Cl)C(F)(F)F 1 3.658 2 4 -5.12405613365143 3245810 C1=CC=C2C(=C1)C3=NC(C(=O)N3C(=N2)SCC4=CC=C(C=C4)F)CCC(=O)NCC5=CC=CO5 1 4.286 4 3 0 -27.0255259740658 3245805 C1CCCN(CC1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 1.306 4 4 0 -22.7401561434561 3245804 CCOC(=O)N1CCC(CC1)NC(=O)CNS(=O)(=O)C2=CC=C(S2)Br 1 0.517 3 5 0 -14.3112521913816 3245789 CC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=C(NN=C3C)C 1 2.373 4 5 0 -16.1030948691118 3245778 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4 1 3.669 4 4 0 -8.83567090592604 3245777 CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3OC 1 0.637 5 5 0 -11.9146004957081 3245774 CCCS(=O)(=O)N1CCC(CC1)C(=O)N2CCC(CC2)CC3=CC=CC=C3 1 2.786 2 3 -18.0119845136653 3245771 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)N2CCC3=CC=CC=C32)C4=CC=CO4 1 3.293 2 4 -20.2656106227826 3245770 CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4CCCO4 1 1.766 3 6 0 -24.9879919349144 3245769 CCOC(=O)CSC1=NC2=CC=CC=C2C3=NC(C(=O)N31)CC(=O)NCC4=CC=CS4 1 2.79 4 4 0 -32.0343910963395 3245762 CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)NCCCN4CCCC4=O)C5CCCCC5 1 2.466 4 3 0 -23.0873564013998 3245760 CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)N(CC)CC)C(=O)C(C(C2)C)C(=O)OC)C 1 3.925 2 5 0 -36.1900721973519 3245755 CC1CC(CN(C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NON=C43)C 1 2.093 4 4 0 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C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(O3)CNC(=O)C4=CC=CC=C4F 1 1.9 4 5 0 -27.6055704556911 3245559 CCOC(=O)C1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3=CC=CC=C3Cl 1 2.859 3 4 0 -4.18298893545207 3245553 CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)OCC4=CC=CC=C4)N=N2 1 3.052 5 3 0 -12.2421025348665 3245551 CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)NCCN3CCOCC3 1 1.78 3 4 0 -3.50222489612645 3245548 C1=CC=C(C(=C1)OCCCCCOC2=CC=CC=C2P(=O)(O)O)P(=O)(O)O 1 2.871 0 8 0 -2.90630553115246 3245546 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4C 1 4.806 2 4 -14.2001800602427 3245535 CC1(CC2=C(C(C3=C(N2CCN4CCOCC4)CC(CC3=O)(C)C)C5=CC(=CC=C5)F)C(=O)C1)C 1 3.831 2 3 -19.4410914761736 3245513 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC(=CC=C3)F 1 2.513 2 4 -22.2147217337861 3245506 CC1CC2=CC(=CC(=C2N1C(=O)C)S(=O)(=O)N3CCOCC3)Br 1 1.161 2 4 0 -17.9257449298806 3245501 CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CO4)Br 1 1.372 3 5 0 -20.1576229766454 3245500 C1COCCN1C2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N 1 0.73 4 2 0 -8.95625645820156 3245499 CC(C)CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.307 5 2 0 -5.41927355036831 3245496 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)OC 1 3.952 4 3 0 -6.16719478498726 3245495 CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4 1 3.242 4 4 0 -29.0489248521986 3245493 CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 -0.277 3 7 0 -21.4551092268383 3245492 COC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N3CC(CC3=O)C(=O)NCC=C 1 1.53 3 5 0 -19.4484558149402 3245487 CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)NC3=C(SC(=S)N23)C(=O)NCC4CCCO4 1 3.524 4 4 0 -24.0792467199136 3245484 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)NC3CCN(CC3)CC4=CC=CC=C4)OC 1 1.74 4 5 0 -12.414846875636 3245483 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)N3CCC4=CC=CC=C4C3)C 1 2.413 3 4 0 -22.792960184251 3245480 COC1=CC=C(C=C1)N2C(=O)C(N(C2=O)CC3=CC4=C(C=C3)OCO4)CC(=O)NC5=CC=CC=C5 1 3.183 3 6 0 -15.5621462409817 3245476 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=CC=C3OC)C(=O)NCC4=CC=CO4 1 2.113 4 5 0 -27.6088294664746 3245470 CN1C2=C(C=CC(=C2)Cl)C(=CC1=O)SCC(=O)NCCCN3CCOCC3 1 1.317 3 3 0 -11.7421235873733 3245461 CC1=C(C=C(C=C1)Cl)N2C(=O)C=C(NC2=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.946 4 4 0 -2.38384994955825 3245460 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=CC=CS3 1 3.219 2 1 -9.30921876660337 3245452 CCOC1=CC=CC=C1N(C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.311 4 5 0 -16.5910533984039 3245450 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.069 3 5 0 -3.70878161095674 3245448 CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3C4=CC(=CC=C4)F)C=C2 1 2.839 6 2 0 -16.0739889847774 3245447 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CN4C 1 3.695 6 2 0 -24.9761141683863 3245443 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)NC4=CC=C(C=C4)C(F)(F)F 1 2.702 3 5 0 -14.0338918735356 3245433 CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCCCC(=O)NCC3=CC=CO3 1 3.599 3 5 0 -33.5413742736258 3245426 C1CCC(C1)NC(=O)CSC2=NN=C(O2)CNC(=O)COC3=CC=C(C=C3)Cl 1 2.234 4 4 0 -22.7284136616185 3245425 CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)NCC3=CC=C(C=C3)F 1 3.296 4 3 0 -32.6826366755293 3245422 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCC4COC5=CC=CC=C5O4 1 2.353 4 5 0 -16.6314914506148 3245413 C1CSC2=NC=C(C(=O)N21)C(=O)NCCCC3=CC=CC=C3 1 2.008 3 2 -16.2703899337878 3245404 CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)NCCCN4CCCC4 1 2.915 4 2 8.27867903285645 3245403 CC1N(CCN1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=C(SN=C3SC)SC 1 3.234 3 3 -16.7894084257151 3245398 CC1=CC2=C(N1)C=CC(=C2)CNC(=O)C3=CC4=C(C=C3)OCO4 1 2.828 2 3 -8.52023442554229 3245397 C1CCN(C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=NC=C5 1 1.425 5 4 0 -22.6345998986773 3245396 C1CN(CCC1CC2=CC=CC=C2)C(=O)C3CCN(CC3)S(=O)(=O)N4CCC5(CC4)OCCO5 1 1.569 3 5 0 -13.0891911428144 3245391 CC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 3.281 4 3 0 -16.8330043974498 3245386 CN1C2=C(C(C3=C(N2)CCCC3=O)C4=CC=CC=C4OC(F)F)C(=O)N(C1=O)C 1 2.373 3 4 0 -23.748455758846 3245381 C1=CC=C(C=C1)COC(=O)CN2C3=C(C(=O)N(C2=O)CCCC(=O)NCC4=CC=CO4)SC=C3 1 2.615 3 6 0 -23.9314686470861 3245372 C1CC1C(=O)N2CCC3=CC(=CC(=C32)S(=O)(=O)NCCN4CCOCC4)Br 1 1.474 3 4 0 -17.3355145224363 3245371 COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.526 5 5 0 -29.2678968928397 3245367 CCC(C(=O)NCCOC)SC1=NC2=NN=C(C2=C(N1C3=CC(=CC=C3)Cl)N)C 1 2.759 6 2 0 -15.0019358118709 3245366 CCCCOC1=CC=C(C=C1)S(=O)(=O)NCC2=CSC(=N2)C 1 2.568 2 3 -7.07216632465362 3245365 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CN3CCCC(C3)C(=O)NCC4=CC=CC=N4 1 3.214 4 2 10.7808998140651 3245363 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3=C(C=CC(=C3)Br)OC 1 3.706 3 3 -11.14359042803 3245362 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NCC3=CC=C(C=C3)F 1 2.104 4 4 0 -23.5362935159985 3245359 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCC4(CC3)OCCO4)C(=O)NCC5=CC=CO5 1 2.066 2 7 0 -16.1772379042688 3245340 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CCOC 1 2.454 2 3 -14.4434910298661 3245327 CC1(CC(=O)C(C(C1C(=O)OCC=C)C2=CC=C(C=C2)OC)C(=O)OCC=C)O 1 2.295 0 7 0 -14.8992430180577 3245321 C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6 1 4.162 5 3 0 -4.80491615067377 3245317 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CCCC(=O)N4CCC5=CC=CC=C5C4 1 3.43 4 3 0 -16.2499716599142 3245315 CCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC(C2)C 1 3.262 2 1 -10.5569217743753 3245313 CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=C(C=C(C=C4)OC)OC 1 4.542 5 3 0 -26.4300540468935 3245304 CCN(CCCNC(=O)CCCN1C(=O)COC2=C1C=C(C=C2)C)C3=CC=CC(=C3)C 1 3.649 3 3 -16.0610704595824 3245281 CC1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)N=NN3C4=CC(=CC=C4)OC 1 1.686 6 3 0 -14.2182228726739 3245280 CC1=CC=CC2=NC(=CC(=O)N12)CN3C4=C(C(=O)N(C3=O)CCC(=O)NCC5=CC=CO5)SC=C4 1 1.261 5 5 0 -27.1511719399086 3245272 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3CCC(CC3)C(=O)NCC4=CC=CC=C4OC 1 3.998 3 3 10.9471881759542 3245269 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CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4=CC=CO4)C 1 2.606 3 5 0 -16.9412716980407 3244845 CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.802 5 3 0 -23.3458711411973 3244844 CC1=C(C=C(C=C1)C2=NC3=C(S2)N=CC=C3)NC(=O)C4=CC=CO4 1 3.553 3 2 -1.44779793594938 3244833 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)F)CCCC(=O)NCC4=CC=CO4 1 4.092 3 4 0 -25.8051288033114 3244832 CN1C(=CC2=C1C3=CC=CC=C3NC2=O)C(=O)N4CCN(CC4)C5=CC=C(C=C5)Cl 1 3.893 4 2 -3.34731453253345 3244821 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 5.072 3 3 -6.67109571907154 3244794 C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCCC(=O)NCC3=CC=C(C=C3)F 1 2.287 4 3 0 -19.5333167616466 3244782 C1CCN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4 1 0.844 5 3 0 -13.2722172546611 3244781 CCN(CC)CCNC(=O)CS(=O)CC1=C(OC(=N1)C2=CC=C(C=C2)Cl)C 1 2.01 3 3 8.60760051666391 3244779 CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.787 4 2 5.26503527741244 3244775 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3244249 CC1=CSC2=NC(=CN12)CNS(=O)(=O)C3=CN=CC=C3 1 0.143 4 2 0 -5.14315353329342 3244241 CC1=NN2C(=C(SC2=N1)C(C3=CC=CO3)N4CCN(CC4)C5=CC=C(C=C5)OC)O 1 3.488 5 3 0 -1.59353809529022 3244237 CC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)F)C(=O)N4CCC(CC4)C(=O)OC 1 2.769 3 3 -0.928640494860543 3244236 CC1=CC=CC=C1CS(=O)(=O)CCC(=O)NCCN2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.589 3 3 -6.92085332125114 3244233 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)NCCOC)N3CCCCC3 1 2.96 3 4 0 -13.8131814212632 3244223 CCN(C1=C(C=CC(=C1)OC)OC)C(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)C 1 2.166 2 6 0 -14.1796069465329 3244212 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CN=CC=C4 1 3.042 3 4 0 -13.0494267569135 3244200 CC(=O)NCCC1=CSC(=N1)C2=CC=CC=C2 1 1.801 2 1 0 -3.77971395036563 3244193 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.627 3 4 0 -5.93019325221724 3244190 CC1CCN(CC1)CCCNC(=O)CCCCCN2C(=O)C3=CC(=C(C=C3NC2=O)OC)OC 1 2.649 4 5 0 -22.2778630468717 3244185 C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=CC4=C(C=C3)OCCO4 1 0.857 3 6 0 -22.6111333915468 3244174 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CN3C4=C(C=C3C(=O)OC)SC=C4 1 4.179 2 4 7.5629956725873 3244172 CC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NC4CCCC4 1 3.137 4 4 0 -19.3940551712227 3244157 C1CN(CCN1C2=NC=CC=N2)C(=O)CCNS(=O)(=O)C3=CC(=CN=C3N)Br 1 -0.603 7 3 0 -10.0921419207924 3244156 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CSC(=N2)C3=CC=CC=C3 1 2.887 2 4 -3.44996024285365 3244155 CCN(CCNC(=O)C1CCCN(C1)CC2=C(OC(=N2)C3=CC=C(C=C3)OC)C)C4=CC=CC=C4 1 4.044 4 3 0 8.34149206399688 3244154 CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3F)NC(=O)C4=CC=CO4 1 4.243 3 2 -2.16570246616525 3244148 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)NCCN3CCCC3)N4CCCCC4 1 3.691 4 3 0 -10.0789710679661 3244146 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3CCCO3)C(=O)C4=CC=CC=N4 1 3.726 3 3 -23.6259171566719 3244145 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4 1 2.665 2 5 0 -23.7200322698191 3244144 C1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)CNC(=O)COC3=CC=C(C=C3)Cl 1 3.027 3 4 0 -16.6618025592123 3244140 COC1=C(C=C(C=C1)C2=CC(=NC(=N2)S(=O)(=O)C)C(F)(F)F)OC 1 3.383 2 4 -3.58922258871178 3244130 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNS(=O)(=O)C3=CC=CS3 1 2.523 3 3 -10.4251201749128 3244129 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S 1 3.341 4 4 0 -11.1178583478104 3244127 CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC(=CC=C3)Cl)CO 1 2.252 3 5 0 -10.285486753042 3244126 C1CC(OC1)CNC(=O)CSC2=C(N=C(O2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4 1 3.584 2 5 0 -17.7479389994966 3244121 C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC#N 1 4.63 4 1 -12.6125421209608 3244116 C1CC2=C(C(CC(=O)N2)C3=CC(=C(C=C3)F)Br)C(=O)C1 1 2.504 1 2 -14.9575643376785 3244114 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCCC3=CCCCC3 1 2.523 3 4 0 -25.7521447691922 3244109 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54 1 3.454 5 3 0 -17.4224823438925 3244103 CC1=CC=CC(=C1)C2=NC(=C(O2)C)CN3CCCC(C3)C(=O)NC4CCCCC4 1 4.246 3 2 15.6930112576481 3244091 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3 1 0.569 4 5 0 -17.7677632615402 3244090 CC1=CC(=CC(=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NCC4=CC=CO4)C 1 3.303 3 4 0 -18.4242566231708 3244084 CC1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC4=C(N3CC5=CC=C(C=C5)F)C=CS4 1 4.832 3 2 -10.6251163552963 3244075 C1CC(OC1)CNC(=O)CSC2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.438 2 6 0 -19.2974596074841 3244068 CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCC)C3=CC(=CC=C3)F 1 3.769 2 3 -23.0350472451104 3244065 CCCCN(C)C(=O)C1CCC(=O)N(C1C2=CC=C(C=C2)OC)C3=CC(=C(C(=C3)OC)OC)OC 1 3.847 2 6 0 -11.8069229639889 3244064 C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)SCC3 1 2.152 3 3 -24.8927906109943 3244056 CC(=O)C(C(=O)C)SC1=NN2C(=NN=C2C3=CC(=C(C=C3)OC)OC)C=C1 1 2.339 4 4 0 -9.27400545471244 3244054 C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCC5(CC4)OCCO5 1 0.453 4 5 0 -13.1884267824242 3244052 CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC(=C(C=C3)OC)Br 1 2.982 1 4 -5.58722127135182 3244048 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.049 4 3 0 -0.964065938083282 3244047 CC1=C(N=C(O1)C2=CC=CC=C2F)CN3CCC(CC3)C(=O)NCC4=CN=CC=C4 1 2.405 4 2 5.88022221483874 3244046 CN1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)NC(=O)C4=CC(=CC(=C4)OC)OC 1 1.064 4 5 0 -12.6094363216038 3244044 COC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)Cl 1 2.394 3 4 0 -18.4573473682823 3244035 C1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NCC4=CC=CO4 1 2.829 2 3 -13.6010423023481 3244034 CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)OCO4)C(C)(C)C 1 4.121 2 6 0 -13.5431099385774 3244031 CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C3=NC(C(=O)N31)CC(=O)NCC4=CC=CC=C4 1 3.303 5 3 0 -34.8962929519432 3244027 CC1=CC(=C(C=C1)OC)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCOCC4 1 0.799 4 6 0 -28.2379006033879 3244026 CC1CCCCN1C(=O)CN2C3=C(C(=O)N(C2=O)CCC(=O)NCC4=CC=CO4)SC=C3 1 1.563 4 5 0 -26.7227779526241 3244020 C1CN(CCC1C(=O)NCC2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC5=NSN=C54 1 2.218 4 5 0 -16.9245771620818 3244017 CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4(CC3)OCCO4)F 1 2.488 2 5 0 -19.773088213597 3244016 C1=CC=C(C=C1)S(=O)(=O)NC2(C(=O)N(C(=O)N2)CC3=CN=CC=C3)C(F)(F)F 1 1.437 4 4 0 -5.75567484014187 3244015 CN(C1=CC=C(C=C1)OC)C(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 1.999 3 5 0 -10.9557260193906 3244013 COC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.989 2 7 0 -19.1608698739521 3244011 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)OCC 1 1.897 3 6 0 -27.477439238865 3244008 C1C(OC2=CC=CC=C2O1)CNC(=O)C3C4C=CC5(C3C(=O)N(C5)CC6=CC=CC=C6Cl)O4 1 2.243 2 5 0 -3.70455122087452 3244007 CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N(CC3=CC=C(C=C3)N(C)C)CC4=CC=CO4)C 1 3.794 4 3 0 -20.8968814413491 3244006 CC1=CC2=CC=CC=C2N1CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.136 3 4 0 -27.1534647592479 3244004 CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCN(CC4)S(=O)(=O)C5=C(C=CC(=C5)C)C 1 3.384 6 3 0 -11.0190579955651 3244002 C1CN(CCC1C(=O)N2CCOCC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 -1.4 3 6 0 -18.1392287198099 3244001 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NCC3CCCN3CC)Br 1 2.534 3 3 -18.3024484136369 3244000 CC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.758 3 4 0 -20.3653072710329 3243997 COC1=CC=CC(=C1)N2C3=C(C(=O)N(C=N3)CC4=C(C=CC=C4Cl)F)N=N2 1 3.705 5 2 0 -6.18232841769201 3243990 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCCCN3CCN(CC3)C4=CC=CC=C4F 1 2.242 4 3 0 -5.30216269992284 3243988 CCN(CCCNC(=O)CN(C)S(=O)(=O)C1=CC=CC2=NSN=C21)C3=CC=CC(=C3)C 1 2.843 5 3 0 -14.5073455044227 3243983 COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4CCCCC4)C#N 1 4.73 4 2 2.11842480049899 3243973 CSC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4)N)C#N 1 4.149 3 1 -15.8550145192457 3243971 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NN=C(S4)N5CCCC5=O 1 2.457 6 2 0 -8.40246038167357 3243965 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C3CS(=O)(=O)C=C3)C4=CC=CC=C4 1 1.005 2 6 0 -19.2501037531558 3243964 C1CN(CCN1CCCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)C4=CC=C(C=C4)F 1 1.336 5 3 0 -14.6407828383817 3243963 CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCCCC3)C4=CC=CC=C4F 1 3.124 2 4 -9.39753175880564 3243950 COC1=CC(=CC(=C1OC)OC)N2C(=O)C3=CC=CC=C3N(C2=O)CC4=CN=CC=C4 1 2.936 3 5 0 -7.25642373073745 3243944 C1CC(CN(C1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)NCC5CCCO5 1 3.304 5 2 0 -6.41973738412918 3243942 CCCS(=O)(=O)NCC1=CC2=C(C=C1)N(C(=C2)C)C 1 2.265 2 2 -7.14806281598436 3243924 C1CN(CCC12OCCO2)C(=O)NC3(OC4=C(O3)C=C(C=C4)Cl)C(F)(F)F 1 3.682 2 5 0 -4.06529419536415 3243922 CCOC(=O)CSC1=NC2=C(C(=O)N1CCCN3CCOCC3)SC4=CC=CC=C42 1 3.334 3 4 0 -18.6979911319603 3243914 C1CCC(CC1)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)C4=CC=CC=C4 1 3.729 4 1 -13.094673092478 3243903 CCOC1=C(C=CC=N1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)CCO 1 2.106 3 6 0 -19.970170441428 3243888 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4 1 3.348 4 4 0 -8.60558012935238 3243884 C1CN2C(C(C3=CC=CC=C3C2=O)C(=O)NCCN4CCN(CC4)C5=CC=CC=C5F)C6=CC=CC=C61 1 3.877 4 2 -6.96295248248738 3243877 C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C=NC4=C(C3=O)N=NN4CC5=CC=C(C=C5)F 1 1.892 6 4 0 -20.7106177984891 3243862 CC1=CC=C(O1)CNC(=O)CCS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4 1 2.482 2 5 0 -25.7743050329458 3243859 CCOC(=O)C1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCN(CC4)C(=O)OCC 1 3.711 4 4 0 -10.9892910104845 3243848 CCCOC1=CC2=C(C=C1)OC(=O)C3=C2CCCN3C(=O)CN4CCN(CC4)C5=NC=CC=N5 1 2.035 5 4 0 -9.17174118989783 3243837 C1COCCN1CCCNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br 1 2.367 3 3 -7.46020038262987 3243835 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCC4(CC3)OCCO4)C(=O)NC5=CC=CC=C5Cl 1 3.542 2 6 0 -12.2537128816752 3243831 COC(=O)C1=CC=CC=C1NC(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.756 4 5 0 -25.4641630600039 3243829 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=CO5 1 3.934 4 4 0 -8.28039155474704 3243820 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC 1 2.459 2 5 0 -15.3888506034307 3243817 CCCCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC(=CC=C4)OC)C(=O)NC5CCCCC5C 1 2.793 3 5 0 -4.80176879872452 3243814 CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC4=CC=CC(=C4)C)N=N2 1 3.831 5 1 -6.2841028763326 3243810 C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)Br 1 2.714 2 3 -10.7464277903021 3243808 C1CN(CCN1CCNC(=O)CNC(=O)C2=CC=CS2)C3=CC=CC=C3F 1 2.024 4 2 -10.5523685841645 3243807 CC1(CC2CC(C1)(CN2C(=O)C3=NOC(=C3)C4=CC(=C(C=C4)OC)OC)C)C 1 3.945 2 4 -13.4635097560108 3243798 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)O 1 3.59 1 5 -8.62413993083499 3243774 CC1=C2C(=CC=C1)SC(=N2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(S3)Br 1 3.049 3 3 -7.4469747841038 3243770 CCC1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 0.657 4 5 0 -17.4836779718394 3243769 CCCCN(C)C(=O)CCCCN1C(=O)C2=CC(=C(C=C2NC1=O)OCC)OCC 1 3.055 3 5 0 -18.3689890232942 3243746 CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)F)CCN5CCOCC5 1 1.622 7 3 0 -3.27595558146357 3243734 CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCOCC3)CCC4=CC=CC=C4 1 1.553 5 3 0 -9.62699038134684 3243730 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCCN(CC(C)C)CC(C)C 1 3.518 3 3 6.20069724487119 3243727 CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=C5OC 1 3.002 5 2 0 -3.30609171990027 3243721 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4C=CN=C4)C(=O)NC(C)C5=CC=CC=C5 1 1.465 7 2 0 -19.2421497585393 3243720 CC1(CC2CC(C1)(CN2C(=O)C3=NOC4=C3CCC5=C4C=CC(=C5)OC)C)C 1 4.562 2 3 -12.8127899812339 3243719 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)N4CCOCC4 1 2.503 2 5 0 -10.565737012722 3243714 CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=O)C(C)C)C 1 2.762 2 2 -13.5400532122082 3243712 C=CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=CO4 1 2.607 3 5 0 -27.1864623525986 3243711 COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N4CCOCC4 1 2.206 2 7 0 -13.247869221296 3243708 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCC4(CC3)OCCO4)C(=O)NCC5=CC=CC=C5 1 2.884 2 6 0 -14.8385661345059 3243704 C1CCC(CC1)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.935 4 1 -12.0240986453457 3243701 CCOC(=O)N1CCC(CC1)NC(=O)CS(=O)(=O)CC2=C(OC(=N2)C3=CC(=CC=C3)OC)C 1 0.951 3 7 0 2.59935051111208 3243695 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)NCCN(C)C)N3CCCCC3 1 3.23 4 3 0 -8.4638580755296 3243690 CC1=CC=CC=C1NC(=O)C(CCS(=O)(=O)C)NC(=O)C 1 0.292 2 4 0 -19.1885430369921 3243679 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CSCC(=O)N3CCC4=CC=CC=C43 1 3.445 2 4 -4.60046707928038 3243676 CCC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC3=CC4=C(C=C3C(=O)N2CC5=CC=CO5)OCO4 1 4.397 3 6 0 -18.9735967035012 3243671 C1CN(CCC1NC(=O)CCCN2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)N)CC4=CC=CC=C4 1 1.153 5 4 0 -11.6869860173143 3243670 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NCCCN3CCN(CC3)CC4=CC=CC=C4 1 1.644 4 4 0 -1.49269478651887 3243667 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O 1 3.014 3 5 0 -23.8471304626646 3243662 CCC1=CC=CC=C1N(CC)C(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)CC 1 3.49 2 4 -13.5806160779194 3243653 CC1CC(CN(C1)CCCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)N4CCCCC4)C 1 3.617 4 2 -20.3135785967289 3243650 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4 1 3.1 4 4 0 -8.86560098105413 3243646 C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)NC4=C(SC(=S)N34)C(=O)NCC5CCCO5 1 2.862 4 4 0 -21.5227531202266 3243638 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=NC4=C3SC5=CC=CC(=C54)F 1 2.923 5 3 0 -0.165831589654708 3243631 CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.419 2 6 0 -18.4125403832456 3243630 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C(=O)C5=C(C=CS5)NC4=O 1 1.868 4 5 0 -11.0221675793003 3243629 CC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=CO4 1 2.5 4 5 0 -19.991811275284 3243624 COC1=CC=CC(=C1OC)CC(=O)NCC2COC3=CC=CC=C3O2 1 2.503 1 5 -11.3870382563353 3243610 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CCC4 1 1.77 3 5 0 -25.7017563912814 3243607 CC1=C(C(=NC2=C(C=NN12)C(=O)N3CCN(CC3)C4=CC=CC=N4)C)CC5=CC(=CC=C5)Cl 1 3.739 6 1 0 -10.8989899326573 3243605 COC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC=CO4 1 3.536 3 4 0 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CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NOC4=C3CC(CC4)C(C)(C)C 1 5.305 4 2 -18.28849616794 3243288 CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)N4CCN(CC4)C5=CC=CC=N5)C6CCCC6 1 3.517 5 2 0 -4.26849814678989 3243281 CC1=CSC(=N1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br 1 1.973 3 3 0 -10.2201303507827 3243279 CC1=C(C(=CC=C1)C)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCC(=O)NCCCOC 1 2.146 4 5 0 -22.9398203298373 3243271 CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=NNN3C2=NC(=O)C4=CC=CC=C43 1 2.913 4 3 0 -6.55952793166666 3243265 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCN3C(=O)C4=CC(=C(C=C4NC3=O)OC)OC 1 3.031 4 5 0 -9.73979981958103 3243263 CCOC1=CC=C(C=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.241 2 4 -17.1919162711172 3243249 C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCCC(=O)NCC4=CC=CO4 1 2.463 4 5 0 -19.5774896022342 3243246 C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5 1 3.241 4 3 0 -14.8400613615189 3243244 CCOC(=O)N1CCN(CC1)C(=O)C2=CN(C(=O)C3=C2C4=CC=CC=C4N3C)CCOC 1 1.175 4 5 0 -9.20700171272606 3243243 CC1=NN=C(S1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)OC 1 3.082 5 3 0 -23.2167254238218 3243229 CC1CCCCC1NC(=O)C2C34C=CC(O3)C(C4C(=O)N2C(C)C)C(=O)NC5=CC(=CC=C5)OC 1 2.191 3 5 0 -3.37502719535072 3243227 CCCN1C2=CC=CC=C2N=C1C(C)NC(=O)C3=CC=CC=C3 1 3.893 3 1 -11.0045098290949 3243218 CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NCC4=CC5=C(C=C4)OCO5 1 4.35 5 3 0 -27.5668658587836 3243217 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC)NC1=O 1 1.666 4 5 0 -10.2373655515193 3243207 CCN(C1=CC(=CC=C1)Cl)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5 1 3.424 6 1 0 -1.44990688944779 3243204 C1COC2=C(O1)C=CC(=C2)NC(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43 1 1.539 4 5 0 -16.7971845035795 3243198 CN(C1=C(C=C(C=C1)OC)OC)C(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 1.983 3 6 0 -12.2775826807597 3243197 CCOC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NOC(=C4)C 1 3.835 4 4 0 -26.1371731401759 3243188 CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4F)CCCC5=CC=CC=C5 1 4.156 6 2 0 -2.40935470323082 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3242610 CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NCC4=CC=CO4 1 3.764 5 2 0 -27.9873202691293 3242607 C1CCCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br 1 2.696 2 3 -14.3465554798448 3242606 CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)NCC4=CC5=C(C=C4)OCO5 1 2.124 5 4 0 -22.9472223856568 3242600 CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)C(=O)N3CC(OC4=C3C=C(C=C4)C)C 1 2.066 4 5 0 -7.49790725806757 3242589 CCCCNC(=O)CSC1=NC2=C(C=C(C=C2)N3CCOCC3)C(=O)N1CCC4=CC=CC=C4 1 4.379 4 3 0 -22.4061823029434 3242586 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(O4)C(=O)OC)C 1 3.191 4 4 0 -2.59507016460684 3242583 C1CN(CCC1NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32)CC4=CC=CC=C4 1 1.871 5 3 0 -11.5239438370718 3242580 CCC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4CCCO4 1 2.17 3 5 0 -20.5591239854221 3242574 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3)F)F)C 1 2.377 3 2 -14.7310735137162 3242572 COC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br)OC 1 3.86 3 5 0 -2.94713040566051 3242571 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCCC(=O)NC3CCCCCC3)OCC 1 3.835 3 5 0 -18.3676639970232 3242567 CC1=CC(=CC=C1)NC(=O)C2=CN=C3N(C2=O)CCS3 1 1.709 3 2 0 -9.845223047493 3242554 C1CCN(C1)CCCNC(=O)CCCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=O 1 1.726 4 3 0 -14.5612309014555 3242549 COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)NC(=O)C4CCCO4 1 2.243 4 4 0 -15.3630784887216 3242548 C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)OC3=CC=CC=C3)C4=CN=CC=C4 1 4.028 4 2 -11.3213369298704 3242547 COC1=C(C=C(C=C1)CCNC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=CC=C4F)OC 1 2.412 6 4 0 -23.7433271330302 3242543 CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)F)CCCC5=CC=CC=C5 1 4.156 6 2 0 -2.10227602726723 3242541 CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)N4CCC5(CC4)OCCO5)CCOC 1 1.031 3 5 0 -11.2761355464978 3242539 CCC(=O)NCCCC1=NC2=CC=CC=C2N1CC(=C)C 1 3.171 3 1 -14.5172665245115 3242537 COC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=O)C4=C(C=CS4)NC3=O 1 1.85 4 4 0 -12.4460541076035 3242536 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4CCCCC4)C 1 3.197 5 2 0 -9.61524785448368 3242533 C1=COC(=C1)CNC(=O)CCCN2C(=O)C3=C(C=CS3)N(C2=O)CC4=CC=C(C=C4)F 1 3.113 3 4 0 -18.6244201499236 3242519 COC1=C(C=C(C=C1)CCNC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32)OC 1 2.663 3 5 0 -20.6658565006291 3242518 C1CC(OC1)CNC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)F 1 0.899 6 3 0 -23.181586915777 3242514 COC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)N2CCC3(CC2)OCCO3)C4=CC=CO4 1 1.204 2 7 0 -20.4966034058567 3242497 CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)OC 1 0.866 5 5 0 -2.05894320499976 3242494 C1CN(CCN1C2=CC=CC=C2F)C(CNC(=O)OCC3=CC=CC=C3)C4=CN=CC=C4 1 4.035 4 2 -11.9777257371462 3242489 CC1=CC(=NO1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC(=C(C=C4)OC)OC 1 3.47 4 5 0 -30.0687920331518 3242482 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)CC4=CC=CN4C 1 3.351 6 3 0 -20.5878006725557 3242480 CC1=C(C(=NN1)C)S(=O)(=O)N(CC(=O)NCC2=CC=CS2)C3=CC=C(C=C3)OC 1 1.762 4 4 0 -19.9094452198415 3242476 C1CN(CCN1CC2=CC=CC=C2)C3=CC(=O)N(C(=O)N3)C4=CC=CC(=C4)C(F)(F)F 1 4.002 4 2 6.57733472093661 3242472 CC1=CC=C(C=C1)N(CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=C(ON=C4C)C 1 2.314 3 6 0 -18.1892962503715 3242464 CC(C)C(C(=O)NC1=C(C=C(C=C1)OC)OC)NS(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C 1 2.529 3 6 0 -29.8800413706723 3242457 CN(CC1=CC=CC=C1)C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.113 4 3 0 -22.537158528459 3242455 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCS(=O)(=O)C3=CC=CC4=NON=C43 1 2.274 4 4 0 -7.97885915638789 3242453 CC(C1=NC(=NO1)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3)OC4=C(C=C(C=C4)Cl)Cl 1 4.427 4 3 0 -2.32014028913936 3242446 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 1 3.358 4 5 0 -6.46248165564807 3242440 CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C4N3CCN4CC5=CC=CO5)N(C2=O)C 1 2.637 5 3 0 -7.55981189369461 3242438 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=C4Cl 1 3.473 4 4 0 -17.5777741038886 3242436 CCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)CC4=CC=CC=C4 1 3.286 6 2 0 -4.82747493165582 3242430 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3)OC 1 2.157 4 5 0 -29.0285108217994 3242427 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N4C(=O)C5C6CC(C5C4=O)C=C6 1 1.564 4 4 0 -14.2353423308112 3242424 CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=CC=N4)C(=O)CC(C3)(C)C 1 2.496 4 2 -24.3553903971419 3242420 CC1=C(C(=NC2=NC(=NN12)SCC(=O)N3CCOCC3)C)CC4=CC=CC=C4 1 2.796 5 2 0 -19.0943412539084 3242419 COC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC5=C(C=C4)OCO5 1 3.746 2 6 0 -0.950178337401071 3242418 COC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3 1 1.125 3 4 0 -15.3333946461532 3242416 CC1=CC=CC=C1N2C(=O)C=C(NC2=O)N3CCC4(CC3)OCCO4 1 2.07 3 4 0 -7.03575256497067 3242410 CCN(CCCNC1=C(C(=O)C1=O)N2CCCC(C2)C(=O)OCC)C3=CC=CC=C3 1 2.259 3 4 0 -8.75308127010207 3242408 CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)N5CCN(CC5)C 1 3.41 5 2 0 -3.70744482738481 3242407 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 1 3.917 4 4 0 -12.9762811141613 3242401 CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C 1 3.577 5 2 0 -15.7314860509132 3242399 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCCN(C)C2=CC=CC=C2 1 1.931 3 3 0 -24.7103850052747 3242398 CC1=C(N=C(O1)C2=CC=CC=C2F)CN3CCC(CC3)C(=O)NCC4=CC=CO4 1 2.737 3 3 6.2496249407055 3242397 CCC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43 1 3.905 4 2 -17.5028449598525 3242388 CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=CC=CC=N3)C4=CN=CC=C4 1 1.61 4 4 0 -5.47392978035972 3242387 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)N(C)C3=C(C=C(C=C3)OC)OC)N4CCOCC4 1 2.565 4 5 0 -12.7360233476331 3242375 CCC(C)(C(=O)NC1CCCCC1)N(CC2=CC=CO2)C(=O)C3=CC4=C(C=C3)OCO4 1 4.015 2 5 0 -19.1847672921719 3242374 CC(C)CC1(C2C(C(N1)C3=C(C(=CC=C3)OC)O)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O 1 5.e-002 2 6 0 -2.16965610978282 3242373 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5NC4=O 1 4.369 4 3 0 -6.43155240729892 3242371 COC1=CC=C(C=C1)C2=CC(=NO2)CCCC(=O)NCCC3=C(C=C(C=C3)OC)OC 1 4.111 2 5 0 -15.437983796484 3242370 CCN(CC)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCOCC 1 2.466 4 3 0 -14.7329022415161 3242366 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)COC 1 1.338 2 2 0 -10.5452578727909 3242362 COC1=CC=C(C=C1)CCC(=O)NCC2=CN3C=CSC3=N2 1 1.783 3 2 0 -15.4539141537377 3242352 CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)OC)OC 1 2.032 4 5 0 -27.8929101058733 3242345 COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6 1 3.516 3 5 0 1.33522230456929 3242344 CN1C=C(C2=CC=CC=C21)C=NN3C=NC4=C(C3=O)C(=CS4)C5=CC=C(C=C5)Cl 1 5.07 4 1 4.47946275793094 3242340 CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 1.85 4 4 0 -8.55587256874922 3242339 COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43)OC 1 2.068 4 6 0 -21.1024610911944 3242338 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4CCCO4 1 1.372 4 5 0 -20.2461152705884 3242337 C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)NC3=CN=CC=C3 1 1.838 3 2 0 -6.13834826457577 3242332 COC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3F)OC 1 1.722 4 4 0 -9.15673298919588 3242328 CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CCCOC)C3=CC=C(C=C3)F 1 2.189 3 6 0 -20.1550393722617 3242321 CC1=CC=C(C=C1)CN2CC34C=CC(O3)C(C4C2=O)C(=O)NCC5=CC6=C(C=C5)OCO6 1 1.953 2 5 0 -5.49347284240344 3242313 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CO4)Br 1 2.039 3 5 0 -21.9350660534921 3242312 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCCCN3CCN(CC3)C4=CC=CC=C4F 1 3.149 4 2 -7.95505201401151 3242311 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)NC4=CC=CC(=C4)C(F)(F)F 1 2.702 3 5 0 -13.4036840754648 3242300 C1CC1C(=O)N2CCC3=CC(=CC(=C32)S(=O)(=O)NCC4COC5=CC=CC=C5O4)Br 1 3.111 2 5 0 -14.8740589704947 3242295 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C)NC(=O)C 1 2.162 3 6 0 -17.2178695963063 3242292 CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)C2C3CCC(C2C(=O)O)O3)C(=O)OC(C)C 1 1.987 1 8 0 -11.9562255973138 3242289 CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4Br)F)F 1 3.919 4 1 0.473755756041529 3242276 CC1=C(C(=NC2=CC(=NN12)C3=CC(=CC(=C3)OC)OC)C)CCC(=O)NC(C)CCC4=CC=CO4 1 3.993 4 4 0 -21.8125472294226 3242275 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4CCCO4 1 1.933 3 5 0 -25.7661796462961 3242266 CCN(CC)CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3)OC)OC 1 2.836 4 4 0 -11.3263230313595 3242265 CCSC1=NN=C(S1)NC(=O)C2CCCCC2C(=O)OCC(C(F)F)(F)F 1 3.398 3 3 -16.6734063748392 3242260 CC1=CC(=CC=C1)CN2CCC(CC2)CNC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)OC 1 3.646 4 3 0 -5.28550314221053 3242258 COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)OC 1 2.627 4 5 0 -21.5371710464299 3242249 C1CCC(=CC1)CCNC(=O)C2CCN(CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5 1 5.138 5 1 -6.8543677928812 3242247 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=C(ON=C4C)C)C 1 3.215 4 4 0 -1.38033299415574 3242245 COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)N3CCCCC3)OC 1 1.422 4 5 0 -27.8943640679919 3242238 CC1=NC(=CS1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.041 2 4 0 -9.20595896141517 3242235 COC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CNC(=O)COC3=CC=C(C=C3)Cl 1 2.392 4 5 0 -23.0350249052364 3242233 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)C(=O)NCC4CCCO4 1 1.358 3 5 0 -26.7970531139544 3242229 COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)CCNS(=O)(=O)C3=CC=CS3 1 1.587 4 4 0 -15.0960109047325 3242223 CCOC(=O)C1=C(N=C(S1)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=CO2)C 1 2.299 3 6 0 -15.7955586187805 3242221 COC1=C(C=C(C=C1)Br)CNC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4O3 1 3.57 3 3 -10.833662418 3242215 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCC4=CC=CC=C4C3)OC1=O 1 1.629 3 5 0 -15.1624296163171 3242209 C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl 1 2.655 3 5 0 -19.42516762813 3242199 COC1=CC(=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)F)OC 1 2.808 2 5 0 -15.9168691233362 3242192 CCOC(=O)C1CCCN(C1)C(=O)C2=C(N3C=C(N=C3S2)C4=CC=CC=C4)C 1 3.047 3 3 -5.54836375005067 3242188 CCCCN(C)CCCNC(=O)CS(=O)CC1=C(OC(=N1)C2=CC(=C(C=C2)OC)OC)C 1 2.006 3 5 0 1.71558737142936 3242185 CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C4=CC=CS4 1 4.596 3 1 -4.22226224798459 3242183 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.114 4 2 -12.0244140683407 3242182 C1COCCN1C2=NC(=NC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)F)N 1 3.303 8 1 0 -2.44575990973567 3242179 CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCCC3)C4=CC=C(C=C4)OC 1 2.446 2 5 0 -7.5434139488369 3242177 CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4)Cl 1 4.644 3 5 0 -21.9743873622671 3242173 COC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4 1 2.042 4 3 0 -14.4873592100844 3242169 CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4 1 4.893 4 2 -24.5784001248849 3242168 CCN(CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32)C4=CC=CC=C4 1 2.914 5 3 0 -19.3754275035277 3242166 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3CCCO3 1 0.775 2 5 0 -19.1915462797384 3242159 CCCC(=O)NCCC1=CC2=CC(=C(C=C2NC1=O)C)C 1 2.756 2 2 -18.4038176363722 3242154 CC(C)(C)C(=O)OCCN1C(=O)C2=CC3=C(C=C2C1=O)C(=O)N(C3=O)CCOC(=O)C(C)(C)C 1 2.666 2 8 0 -9.79687639255017 3242146 C1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=C(C=C3)F)SCC(=O)N 1 3.019 2 4 -7.74254272707279 3242129 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F 1 0.952 5 5 0 -25.1663665889649 3242123 C1CN(CCC1C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)N4CCOCC4 1 0.365 5 4 0 -13.9199001017141 3242121 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCCC4=CC=CC=C4 1 2.935 5 2 0 -14.3357709465197 3242120 CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4)Br 1 2.114 4 3 0 -15.3635540712532 3242116 CC1=CC(=C(S1)SC)C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N 1 2.931 4 1 -17.7499720339645 3242112 CN1C2=C(C=C1C(=O)N3CCCC(C3)C(=O)NCCC4=CC=CC=C4)SC=C2 1 3.708 3 2 -10.0193170218546 3242111 CCOC(=O)C1=C(N(N=N1)CC(=O)NC2=CC(=C(C=C2)C)F)C(=O)OCC 1 2.468 4 5 0 -16.1718539936839 3242110 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 1.396 3 5 0 -14.9211514350235 3242059 CCOC(=O)C1=CC=C(C=C1)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=C(C=C4)F 1 3.931 3 3 -8.64094943017211 3242064 CC1=CC(=CC=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 2.443 3 3 -13.8273348676724 3242094 CC12CC(C3=CC=CC=C3O1)NC(=O)N2C4=CC=C(C=C4)C(=O)N5CCN(CC5)C6=CC=C(C=C6)F 1 4.028 4 3 0 -4.79282868542365 3242080 CC(C(C1=CC=CS1)N2CCOCC2)NC(=O)C3=CC=NC=C3 1 1.55 3 2 0 -9.13396302601796 3242073 CC1=C(C=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4)C 1 2.274 3 5 0 -13.0859971995457 3242069 C1CCN(CC1)C(=O)CSC2=NN=C(O2)CNC(=O)COC3=CC=C(C=C3)Cl 1 1.954 4 4 0 -22.4810986250582 3242054 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3CCC(CC3)C(=O)NCCC(C)C)OCC 1 3.967 3 5 0 -22.9899389046895 3242040 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=C(C=C4)F 1 2.521 5 3 0 -24.5177569003245 3242039 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCCN3CCN(CC3)CC4=CC=CC=C4 1 3.786 3 4 0 -10.9896068181933 3242030 COCCCNC(=O)C1CCN(CC1)C(=O)C2=CC3=C(N2CC4=CC=C(C=C4)F)C=CS3 1 3.388 3 3 -15.6451847382047 3242029 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C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4CCCO4 1 2.686 4 4 0 -35.8352926265394 3241691 CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O)(C)C 1 3.422 2 4 -12.9334745100296 3241683 C1CN(CCN1C2=NN3C(=NN=C3C4=CC=C(C=C4)F)C=C2)C(=O)NC5=CC=C(C=C5)Cl 1 3.518 7 1 0 -0.645512905368386 3241682 CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C 1 0.391 3 6 0 -19.7839508423111 3241677 CCOC(=O)C1CCN(CC1)C(=O)CC2C(=O)N(C(C3=NC4=CC=CC=C4N23)C)CC5=CC=CC=C5 1 3.157 4 4 0 -16.170170808588 3241674 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCCCN(CC)C2=CC=CC(=C2)C 1 2.631 3 3 -24.7807927842947 3241670 CN(C)C1=CC=C(C=C1)NC(=O)CN2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4 1 3.305 4 2 -4.90244067710577 3241668 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)OC 1 3.695 4 3 0 -2.26737246475415 3241667 CN1C(=O)CSC2=C1C=C(C=C2)NC(=O)N3CCC(CC3)N4CCCCC4 1 1.734 4 2 0 -8.25592472534847 3241664 C1CCC(CC1)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)C4=CC=CC=C4F 1 3.935 4 1 -12.2601585508217 3241659 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CC1=C(C(=NN1C)C)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl 1 2.339 5 3 0 -8.38852133561072 3241283 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCC3=NC(=NO3)C4=CC=CC=C4F 1 4.246 3 3 -8.00645932431384 3241281 CCOC(=O)N1CCC(CC1)NC(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C 1 1.126 3 4 0 -12.6506774928477 3241272 CC1=CC=C(C=C1)N(CC(=O)NC2=CC(=CC(=C2)OC)OC)S(=O)(=O)C3=C(NN=C3C)C 1 2.485 4 5 0 -16.3044375093278 3241269 CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C(=O)N4 1 1.769 4 4 0 -19.1267352983344 3241267 COC1=CC(=C(C=C1)C(=O)NCCN2C=CC3=CC=CC=C32)OC 1 3.153 2 3 -11.9614478375148 3241260 CC1=C(C(=NO1)C)S(=O)(=O)N(CC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)OC 1 2.895 3 5 0 -12.1136322549012 3241257 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCCN4C(=O)C5=CC=CC=C5NC4=O 1 2.827 4 5 0 -11.125923038125 3241240 CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3 1 1.825 3 5 0 -12.7967322205683 3241226 CC1=C(SC(=N1)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br)C(=O)C 1 2.38 4 3 0 -8.05913800720803 3241222 CC1=CC=CC=C1CN2CCN(C2=O)CC(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F 1 2.765 5 2 0 -11.3803649428181 3241219 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(C(C)C)C(=O)NCC3=CC=CC=C3 1 2.779 3 4 0 -31.7455584062873 3241215 CN1C(=CC2=C1N=C3C=CC=CN3C2=O)C(=O)NCCCN4C=CN=C4 1 6.5e-002 6 2 0 -13.7141850954476 3241212 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)OC 1 1.931 3 6 0 -8.54435895426058 3241211 CCOC(=O)C1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N 1 2.342 6 4 0 -15.1933026645162 3241208 CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4CCCO4 1 2.17 3 5 0 -18.2887182255837 3241201 COC(=O)C1=CC=C(O1)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)Cl 1 2.883 4 4 0 -2.42465684991488 3241200 COC1=CC=C(C=C1)N2C(=O)C=C(NC2=O)N3CCC4=CC=CC=C43 1 3.249 3 3 -5.95326749718868 3241199 CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)OC 1 2.95 3 5 0 -24.5524041031389 3241197 CCC(C(=O)N(CC)CC)SC1=NC2=NN=C(C2=C(N1C3=C(C(=CC=C3)Cl)C)N)C 1 4.28 6 1 0 -11.7453429141011 3241191 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=CN3C=CC=CC3=N2 1 1.528 3 4 0 -15.426411249548 3241182 C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)OCC3=CC=CC=C3)C4=CN=CC=C4 1 3.83 4 2 -12.9368587438383 3241176 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCN3C(=O)C4=C(C=CS4)NC3=O 1 2.531 4 3 0 -5.84949483445019 3241162 C1CN(CCC12OCCO2)C(=O)CN3CCN(C3=O)CC4=CC(=CC=C4)Cl 1 1.178 3 4 0 -13.2216966715543 3241157 C1CN(CC2=CC=CC=C21)C(=O)C3=CN=C4N(C3=O)C=CS4 1 0.913 3 2 0 -17.7295800677908 3241152 CCOC1=C(C=CC(=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)OC 1 1.524 2 6 0 -14.3791316365741 3241148 CC1(CC(=O)C2=C(O1)C=CC(=C2)OCC(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F)C 1 3.149 3 4 0 -11.736910473631 3241144 CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC=CS3 1 1.803 4 4 0 -10.3329034934637 3241124 CC1=C2C(=O)C=CC3=C(C2=C(O1)C)OC(=C(C3C4=CC=C(C=C4)SC)C#N)N 1 2.972 2 3 -2.97750315591497 3241116 CC1=NN2C(=C(SC2=N1)C(C3=CC=CO3)N4CCC5(CC4)OCCO5)O 1 1.94 4 4 0 -6.02730877127417 3241108 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.272 3 4 0 -21.5007853384012 3241104 CC1=CC2=C(O1)C=C(N2CC3=CC=C(C=C3)Cl)C(=O)NCCCN4CCOCC4 1 3.506 3 3 -8.32921550641357 3241100 CCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CO4)S2)OCC 1 4.45 3 4 0 -9.88712901359502 3241092 CC1=C(C=NN1C)C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)OC 1 2.442 4 4 0 -8.78782703311224 3241088 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=CC(=CC(=C3)OC)OC 1 1.654 4 6 0 -14.5885365698254 3241077 C1CN(CCC1C(=O)NCCC2=CC=CC=C2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 0.611 3 5 0 -19.4809493491041 3241069 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCC(CC3)CN4C(=O)C5=CC=CC=C5NC4=S 1 4.912 4 3 0 -11.6138838226515 3241059 CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCCN4CCOCC4)C5=CC=CS5)C(=O)C1)C 1 2.649 4 3 0 -29.6246852117645 3241057 CC1=C(C(=CC=C1)C)NC(=O)CN2C3=C(C(=O)N(C2=O)CCC(=O)NCC4=CC=CO4)SC=C3 1 2.612 4 5 0 -24.5869025558098 3241037 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N(C)CC4=CC=CC=C4 1 3.486 2 4 -7.62485446864121 3240954 C1CN(CCC12OCCO2)C(=O)CN3C(=O)C4=C(C=N3)C5=CC=CC=C5N4CC6=CC=C(C=C6)F 1 2.969 4 4 0 -11.1214496835679 3240956 C1CN(CCC1NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)CC4=CC=CC=C4 1 0.994 4 3 0 -16.2874542950689 3240957 CCOC(=O)C1=C(C(=C(N1)C)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)CCCC(=O)O)C 1 3.557 2 7 0 -23.9513534393189 3240958 CN(CC(=O)NC1=CC(=C(C=C1)F)F)S(=O)(=O)C2=CC=CC3=NSN=C32 1 2.122 4 3 0 -8.61052276179025 3240964 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCC4(CC3)OCCO4)NC(=O)C 1 2.017 2 6 0 -19.215960481443 3240966 CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCCC(=O)NCC4=CC=CO4 1 2.949 4 5 0 -19.2524224668485 3240969 COC1=CC(=C(C=C1)OC)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.875 2 5 0 -18.138655166297 3240973 CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CC(CC(C4)C)C)C 1 3.674 2 6 0 -13.7782174187097 3241008 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)Cl)CCCC(=O)NCC4=CC=CO4 1 4.551 3 4 0 -24.6950071381898 3241007 COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)N4CCCC4 1 3.152 4 4 0 -25.3533125624559 3241006 C1CCCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)C4CC=CCC4C3=O 1 2.798 2 3 -7.80307216304661 3241000 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCC(=CC3)C4=CC=CC=C4)OC1=O 1 2.057 3 5 0 -12.4861953625799 3240992 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)N4CC(=O)N(C(=O)C4)CCC5=CC=CC=C5 1 1.6e-002 3 5 0 -9.99937629408269 3240986 CC1=CC=CC(=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCCCSC3CCCCC3 1 3.53 2 3 6.19341668876137 3240985 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCC3=CC=CC=N3)S(=O)(=O)N4CCOCC4 1 -0.6 5 5 0 -32.3373038564217 3240983 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.29 3 5 0 -5.91540769413464 3240980 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C 1 4.914 2 4 -8.18915543190407 3240941 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NCCC4=CC(=C(C=C4)OC)OC 1 2.767 5 4 0 -16.1470802313195 3240939 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NOC4=C3CCC5=C4C=CC(=C5)OC 1 5.15 4 3 0 -9.11923123174175 3240877 CCOCCCNC(=O)C(C1=CC=C(C=C1)Cl)N2CCC3(CC2)OCCO3 1 2.108 2 4 -13.8493767241219 3240885 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 0.899 3 6 0 -11.1353174507876 3240886 CC(=O)OC[C@@H]1C(C([C@@H](O1)N2C=CC(=O)NC2=S)OC(=O)C)OC(=O)C 1 0.11 2 8 0 -26.3778092942283 3240887 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3OC 1 2.536 5 4 0 -22.9837211356668 3240888 CCOC1=C(C=C(C=C1)CCNC(=O)CN(C)S(=O)(=O)C2=CC=CC3=NSN=C32)OCC 1 2.704 4 5 0 -18.3458043669014 3240889 CC1=CC2=C(N1C)C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O 1 3.09 2 2 -0.993904202667299 3240896 CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCNS(=O)(=O)C3=CC=CS3 1 2.523 3 3 -12.0303157883892 3240927 C1CCN(C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 -0.694 4 5 0 -19.0676368082507 3240925 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC=C(O3)Br)N4CCN(CC4)C 1 3.288 4 2 -1.13470768303543 3240924 CC1=NC(=CC=C1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=C(C=C4)OC 1 3.06 3 3 -1.19269810136358 3240919 CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCOC(C)C 1 1.917 2 5 0 -20.0857884274244 3240915 CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3)NS(=O)(=O)C 1 2.768 3 2 -3.80236503698661 3240913 COC1=CC(=C(C=C1)OC)NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 1 4.209 4 3 0 -10.787074789872 3240903 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=C(C=CC(=C2)OC)OC)C 1 2.802 2 5 0 -13.270480351509 3240901 C1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCCN3CCC4=CC=CC=C4C3 1 1.355 4 3 0 -18.9756209001533 3240900 CC1CCCCN1CCCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.744 3 3 -22.7061365900505 3240869 CC(=O)NCC(=O)N(C1=CC=CC=C1)C2(CCCCC2)C(=O)NC3CCCCC3 1 3.062 3 3 -18.8060271102825 3240865 CCOC(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3C=CN=C3)N(C4=CC=CC=C4)C5=CC=CC=C5 1 3.624 8 2 0 -1.4234179630357 3240860 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCCN(C)CC2=CC=CC=C2 1 1.842 3 3 0 -21.934809182747 3240859 CCCN(CCC)CCCNC(=O)CS(=O)CC1=C(OC(=N1)C2=CC(=C(C=C2)OC)OC)C 1 2.422 3 5 0 0.663647751906953 3240856 CC(C)CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)NCC4=CC=CS4 1 3.407 3 2 -13.6243319020347 3240855 CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)N4CC(CC(C4)C)C 1 2.329 3 4 0 -13.7380202270219 3240849 CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl 1 1.318 5 4 0 -9.47611198679201 3240844 COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C3CCCCC3)C4=CN=CC=C4 1 3.713 4 2 -13.1489418799551 3240833 CN1C2=CC=CC=C2N=C1CCNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.735 3 4 0 -10.0566300005217 3240829 C1=CSC(=C1)CNC(=O)CCCCCN2C(=O)C3=C(C=CS3)NC2=O 1 2.589 3 3 -20.4381039560541 3240826 CCCCOC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N 1 3.45 6 3 0 -11.811197602926 3240821 C1CN(CCN1C(=O)CCCCCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4)C(=O)C5=CC=CO5 1 2.934 4 6 0 -11.0906770264313 3240820 CC1CCN(CC1)C2CC(=O)N(C2=O)C3=C(C=C(C=C3)Br)Br 1 3.681 2 2 1.42465977979876 3240817 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)NCCC(C)C 1 2.274 3 5 0 -14.0845559272023 3240816 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C(C3=O)C(=O)OC)C)C 1 2.055 2 5 0 -20.7116045583315 3240814 CCOC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)C3=NN4C(=O)C=C(N=C4S3)C)OCC 1 3.6 5 4 0 -19.1933463107247 3240807 COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC)C(=O)N5CCOCC5 1 3.266 2 5 0 -9.99228863829529 3240799 CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCC(CC3)C(=O)NCC4=CC=CO4 1 4.009 3 5 0 -30.9203399492743 3240792 COC1=CC(=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43)OC 1 2.434 4 5 0 -12.6100601073109 3240791 CC1=NC(=CC=C1)NC(=O)C2=C(N3C=C(N=C3S2)C4=CC=CC=C4)C 1 3.278 4 1 1.00740372459337 3240790 CC(C(C1=CC=CS1)N2CCN(CC2)C)NS(=O)(=O)C3=CC=CC=C3 1 2.673 3 2 -6.8132898456305 3240789 C1=CC=C(C(=C1)CNC(=O)CCNC(=O)C2=CC=C(O2)Br)Cl 1 2.557 2 3 -18.4698010270181 3240784 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6 1 3.468 4 5 0 -6.65035930150455 3240770 C1CN(CCN1C2=CC=CC=C2F)C(CNC(=O)OC3=CC=CC=C3)C4=CN=CC=C4 1 4.028 4 2 -11.628415605834 3240741 COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=NOC(=N3)C4=CC(=C(C(=C4)OC)OC)OC 1 3.899 3 6 0 -3.27172971973545 3240737 COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)NCCC4=CC(=C(C=C4)OC)OC 1 4.186 2 5 0 -11.5046668414637 3240732 COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)N4CCOCC4)OC 1 2.503 3 5 0 -21.0727352730251 3240731 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCC(=O)NCC3=CC=CO3)OCC 1 1.829 3 6 0 -22.2390585234654 3240730 CC1=C(C(=NO1)C)S(=O)(=O)N(CC(=O)NC2=C(C=CC(=C2)Cl)OC)C3=CC=C(C=C3)OC 1 2.673 3 6 0 -14.2245116853928 3240724 COC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)C4=CC=C(C=C4)F)C(F)(F)F)OC 1 5.234 4 2 6.84750168822798 3240723 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(O3)CNC(=O)C4=C(C=CC=C4Cl)F 1 2.553 4 5 0 -26.2596731667932 3240720 CC1(CC2=C(C(C3=C(N2CCN4CCOCC4)CC(CC3=O)(C)C)C5=CC=C(C=C5)Cl)C(=O)C1)C 1 4.29 2 3 -17.5028815521551 3240716 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCCC(=O)NCC3=CC=CO3)OCC 1 3.657 3 5 0 -20.8660753336585 3240712 CS(=O)(=O)NC1=CC=CC(=C1)C(=O)CC2(C3=C(C=CC(=C3)Br)NC2=O)O 1 1.293 2 5 0 -12.3004069930394 3240711 CC1=C(C(=CC=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=C(NN=C3C)C)C 1 2.988 4 4 0 -12.4246250409778 3240710 CC1=NC2=C(N1C3=CC=C(C=C3)Br)C=CC(=C2)C(=O)N4CCC5(CC4)OCCO5 1 3.616 3 3 -6.1784692267958 3240708 CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NC3=CC(=CC=C3)OC)C4=CC(=CC=C4)OC)N 1 2.761 6 3 0 -13.3269912307938 3240706 CCOC(=O)N1CCN(CC1)C2=CC(=O)N(C(=O)N2)CC3=CC=C(C=C3)F 1 1.94 4 4 0 -3.45597563563789 3240700 CN(CCNC(=O)C1CC(=O)N(C1)C2=CC(=C(C=C2)F)Cl)CC3=CC=CC=C3 1 2.901 3 2 -7.48768626822274 3240698 CCOC(=O)N1CCC(CC1)NC(=O)C2=NC3=C(C(=C2)C)C(=NN3C4=CC=CC=C4)C 1 3.072 5 3 0 -7.21082483514682 3240687 C1CN(CCC12OCCO2)C3=CC(=O)N(C(=O)N3)C4=CC=C(C=C4)Br 1 2.332 3 4 0 -5.60598552338992 3240682 CCOC(=O)N1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C 1 0.496 4 6 0 -10.2873394998463 3240681 COCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)NCC3=CC=CC=C3 1 2.378 4 4 0 -34.7672104737017 3240672 COC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 4.104 2 5 0 -4.12211844674897 3240657 C1CC(C2=CC=CC=C2C1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC5=NON=C54 1 2.796 4 4 0 -13.9202388333205 3240656 CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C 1 2.832 4 6 0 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C1=CC=C2C(=C1)C(=O)N(C(=O)N2CC3=C(C=C(C=C3)F)Cl)CCCCC(=O)NCC4=CC=CO4 1 4.28 3 4 0 -14.737863067155 3239607 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 1.271 4 6 0 -23.7197291455147 3239606 CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=CC=C4C(=O)OC 1 2.615 4 3 0 -8.88280241775241 3239597 CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)N4CCC5(CC4)OCCO5)C6CCCC6 1 2.564 3 4 0 -9.53738510313518 3239590 C1CCC(C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCCC(=O)NCC4=CC=CO4 1 2.289 4 5 0 -21.7178362905528 3239589 C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)NC3=NOC=C3 1 1.982 3 3 0 -6.74601667342283 3239588 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=C(C=CC=N4)C(=O)N3CC5=CC=CC=C5 1 4.011 4 3 0 -19.2743187556567 3239583 C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)CCN3C4=CC=CC=C4OC3=O 1 3.608 3 3 -9.7863977953005 3239577 CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC(=C3)Br)OC)C(=O)CCS2)C 1 3.536 2 4 -24.2200103064055 3239575 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)NC1=O 1 3.115 3 5 0 -15.3766468030877 3239573 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4=O 1 2.885 2 5 0 -8.22997802432355 3239569 CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(S3)Br 1 2.73 3 3 -11.8201598883391 3239568 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)N3CCC4(CC3)OCCO4)N5CCCCC5 1 3.362 3 5 0 -11.0165411982295 3239567 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4 1 2.298 4 5 0 -10.2815543139957 3239566 CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)NC3=CC=CC(=C3)C)C4=CC=CC=C4 1 4.495 3 4 0 -28.272947561291 3239561 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)Br)C(=O)C3=CC=CS3 1 2.539 3 2 -12.0448874377436 3239556 CC1(CC(=O)C(C(=O)C1)C(=O)CCCCC(=O)C2C(=O)CC(CC2=O)(C)C)C 1 1.917 0 6 0 -6.37315108383184 3239551 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.595 3 4 0 -9.49602655330086 3239535 CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)NC(=S)N4 1 3.194 3 2 -23.1705390758002 3239529 C1CC(C1)C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 1.838 3 5 0 -26.0618606783415 3239528 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)(=O)CC(=O)NCCCOC 1 0.52 2 6 0 -0.256806457379819 3239525 C1COCCN1C(CNS(=O)(=O)C2=CC=CS2)C3=CN=CC=C3 1 0.815 3 3 0 -18.9927991567742 3239520 CCCCN(C)CCCNC(=O)CN1C2=CC=CC=C2SC1=O 1 2.693 3 2 -9.48689029712011 3239518 CCOC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC)C=CC=N2 1 3.078 3 4 0 -13.7954141220081 3239510 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)NCCC3=CC(=C(C=C3)OC)OC)OCC 1 2.615 3 7 0 -23.1727445754739 3239507 CC1=C(C(=NO1)C)S(=O)(=O)N(CC(=O)NC2=CC(=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC 1 2.673 3 6 0 -14.6781371548583 3239505 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCS(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)C 1 0.734 4 5 0 -33.2225501111644 3239501 CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CCCC5=CC=CC=C5 1 3.935 6 3 0 -3.22711926187662 3239490 CC1=C(C(=NC2=C3C(=NC(=NC3=NN12)N4CCOCC4)C5=CC=C(C=C5)OC)C)CCC(=O)O 1 2.224 6 4 0 -9.31187405295409 3239485 CCCCOC1=C2C(=C(C=C1)OCCCC)NC3(N2)C4=CC=CC=C4N(C3=O)C(=O)C 1 4.662 3 4 0 -4.9442265011474 3239480 CC1=CC=C(C=C1)N(CC(=O)NC2=CC(=CC=C2)OC)S(=O)(=O)C3=C(N(N=C3C)C)C 1 2.707 4 4 0 -11.9816273588936 3239478 CCC(C(=O)N1CCOCC1)SC2=NC3=NN=C(C3=C(N2C4=C(C=CC(=C4)Cl)C)N)C 1 3.27 6 2 0 -14.1863331386651 3239473 CC1=CC(=CC(=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC4=C(C=C3)OCO4)C 1 2.941 1 5 -5.5006712549108 3239468 CCCCSCCCNC(=O)CS(=O)CC1=C(OC(=N1)C2=CC(=CC=C2)C)C 1 3 2 3 5.4334644952174 3239463 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCCN(CC)C2=CC=CC(=C2)C 1 2.766 3 3 -25.0576775466299 3239460 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)N3CCC4=CC=CC=C4C3)OC 1 1.909 3 5 0 -18.8750330567154 3239456 CC1CCN(CC1)C(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCOCC4 1 2.19 4 3 0 -16.5624455485152 3239454 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCCN3CCN(CC3)CC4=CC=CC=C4 1 3.07 5 2 0 -7.83690515485213 3239453 CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 1.252 5 5 0 -16.4649273863744 3239448 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)C3=NOC4=C3CCCCC4 1 4.662 4 2 -14.278766785431 3239432 C1=CC=C2C(=C1)C(=O)N(C(=O)N2CC(=O)NC3=CC(=CC=C3)F)CCCCC(=O)NCC4=CC=CO4 1 2.669 4 5 0 -17.5588110277428 3239416 CC1CC2=CC(=CC(=C2N1C(=O)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4)Br 1 2.491 4 3 0 -14.9177514703573 3239406 CC1=C(SC2=NC(=CN12)C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCCO5 1 3.393 3 3 -3.49286138406106 3239391 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.768 2 6 0 -16.4131779314298 3239386 CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4CC5=CC=CC=N5)C#N 1 4.124 5 0 -13.0093710377231 3239383 CC1=CC=CC=C1N2C(=O)C=C(NC2=O)NCC3CCCO3 1 1.828 3 3 0 -8.61588912650937 3239381 CC1=C(SC2=NC(=CN12)C3=CC=CC=C3)C(=O)N4CCC(CC4)C(=O)OC 1 2.564 3 3 -2.11503393664099 3239377 CC(C(C1=CC=CS1)N2CCN(CC2)C)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.337 3 2 -3.99788728928274 3239375 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NC4=CN=CC=C4 1 1.316 5 3 0 -10.0176790693934 3239372 CCOC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C 1 1.104 4 6 0 -22.29906036535 3239371 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=C2C)C(=O)NCC3COC4=CC=CC=C4O3 1 3.396 2 6 0 -9.20001934958135 3239366 CCN(CCCNC(=O)CNC(=O)CN1C=NC2=CC=CC=C2C1=O)C3=CC=CC(=C3)C 1 1.784 5 3 0 -19.6161750151396 3239363 CC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)OC)OC 1 2.781 3 3 -10.3169939366135 3239357 C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)N=NN4CC5=CC=CC=C5F 1 2.376 7 2 0 -13.2815460798481 3239354 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCN(CC)CC)NC1=O 1 2.599 4 3 0 -13.5458719703538 3239351 COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5 1 4 4 3 0 -4.55440942627209 3239350 CN(CC(=O)NCCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=CS2 1 1.665 2 5 0 -18.0286895830722 3239348 C1COCCN1CCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3F 1 1.659 2 5 0 -11.8163041789014 3239347 CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC(=C(C=C2)F)F 1 1.599 2 3 0 1.401637222882 3239341 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(O2)N=C4C=CC(=CC4=C3)OC 1 2.364 3 5 0 -3.42914780859129 3239328 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)NC4=CC=CC(=N4)C 1 1.549 5 4 0 -25.1471044367885 3239323 CCS(=O)(=O)N1CCC(CC1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F 1 1.435 4 3 0 -17.8565290599567 3239314 CC(=O)C1=CC(=CC=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C 1 -0.455 2 5 0 -19.613680825634 3239312 COC1=C(C(=C(C=C1)NC(=O)CN2C(=CC3=C2C=C(S3)Cl)C(=O)OC)OC)OC 1 3.475 2 6 0 -8.89250488296224 3239300 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=CN3C2=NC4=C(C3=O)C=C(C=C4)Br 1 1.616 4 4 0 -12.9027801633639 3239290 CC1=NC(=CS1)CNS(=O)(=O)C2=CN=CC=C2 1 0.105 3 2 0 -8.32213176182718 3239287 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)OC)CN3CC(=O)N4CCCC4C3=O 1 0.265 4 6 0 -16.4375643476558 3239280 CCC1=CC=C(S1)S(=O)(=O)NCCC2=CSC(=N2)C3=CC=CC=C3 1 3.767 2 2 -3.14802779551809 3239275 CCN1CCN(CC1)C(=O)C2=NN(C(=O)C3=C2C4=CC=CC=C4N3C)C5=CC=C(C=C5)C 1 3.759 5 2 0 -5.31410073083567 3239270 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)C3(CC3)C(=O)OC)Br 1 2.438 1 5 -9.95430167785066 3239269 CC1=CC(=NO1)NC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3OC 1 3.744 4 5 0 -21.8604477254455 3239264 COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5 1 3.019 4 4 0 -15.9649045961283 3239263 COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5)OC)OC 1 0.867 3 6 0 -6.06052480444287 3239259 CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3C 1 3.702 5 2 0 -15.39217617974 3239258 CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OC)OC(=O)C 1 2.555 2 6 0 -31.9393687896982 3239255 CN1C2=C(C=C(S2)C(=O)NCC3=CC=CO3)C(=N1)C4=CC(=C(C=C4)OC)OC 1 3.398 3 4 0 -10.857033281052 3239230 C1C(SC2=CC=CC=C2N(C1=O)CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CO5 1 2.944 2 5 0 -15.9307933257122 3239227 C1CC(OC1)C(=O)NC2=CC=C(C=C2)C(=O)NCCN3CCN(CC3)C4=CC=CC=C4 1 2.259 4 3 0 -15.2114154747197 3239224 CC(C(C1=CC=CS1)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.469 2 4 -10.6164838479331 3239222 CC1CCN(CC1)CCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S 1 3.362 4 2 -7.10702930517704 3239220 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CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.885 5 2 0 -2.53534040178169 3237654 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3(C4=CC=CC=C4NC(=O)N3C5=CC=CC=C5)O 1 2.745 3 5 0 -8.98066213608618 3237648 CC1=NN2C(=C(SC2=N1)C(C3=CC=CO3)N4CCN(CC4)C5=CC(=CC=C5)Cl)O 1 4.169 5 2 0 3.12462903686429 3237647 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC(CC3)C)C(=O)OCC 1 2.365 2 5 0 -20.3826564161149 3237646 CCOC1=CC(=C(C=C1)OCC)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C(=O)N3C)C 1 1.615 3 6 0 -7.50814358299747 3237645 CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC(=CC=C3)OC 1 1.201 4 4 0 -17.4369440536234 3237632 CC1=C(C(N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=N1)C5=CC=C(C=C5)OC)C(=O)C 1 3.73 2 5 0 -26.6470874994324 3237630 CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC(=C2)C)C)NC(=O)C 1 1.772 5 5 0 -18.4908940998379 3237612 CCN1CCCC1CNC(=O)CCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.274 3 5 0 -25.240465312539 3237611 C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)N=C1SCC(=O)N4CCCC4 1 2.146 4 4 0 -34.8758340111349 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CC1=CC(=C(C=C1)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.378 4 5 0 -10.6471425832391 3237520 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC(=O)NCC3CCCO3)CC4=CC=CC=C4)OC 1 1.945 3 6 0 -19.3583468445157 3237495 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4CCCO4 1 2.066 3 4 0 -15.8323107705148 3237494 CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CCCCC4 1 3.986 4 4 0 -30.9615957422747 3237490 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCCN2CCC(CC2)CC3=CC=CC=C3 1 2.719 3 3 -20.2557409963558 3237487 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F)OC 1 2.409 4 5 0 -29.6167751998978 3237475 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3)OC 1 1.271 4 6 0 -25.6270970241817 3237472 C1CN(CC2=CC=CC=C21)CCNC(=O)CN3C(=O)COC4=CC=CC=C43 1 1.682 3 3 0 -14.6575536872097 3237470 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CNS(=O)(=O)C3=CC=C(S3)Br 1 2.843 3 3 -7.49774226568057 3237467 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3CCC(CC3)C(=O)NCC4=CN=CC=C4 1 2.864 4 2 10.9515228157549 3237466 CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)NCCCN3CCCCCC3 1 2.698 3 2 -15.6050270195908 3237455 CCC1=CC=C(S1)S(=O)(=O)NCC2=CN3C=CSC3=N2 1 1.61 3 2 0 -7.44484277979144 3237453 CCOC(=O)CC(C1=CC=CC=C1Cl)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.885 6 4 0 -9.94019276783541 3237449 CCCCCN1C2=CC=CC=C2N=C1CNC(=O)C3=CC=CS3 1 4.274 3 1 -9.3447218440589 3237443 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCN2CCC(CC2)CC3=CC=CC=C3 1 2.854 3 3 -20.532625758691 3237442 C1CN(CCC1C(=O)NCCN2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=NON=C54 1 1.965 6 4 0 -14.2232982925089 3237436 C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)NCCCN3C=CN=C3 1 1.216 4 2 0 -9.51704876574319 3237427 CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3)C 1 2.834 4 3 0 -23.0041993575925 3237422 CC(C)CC(C(=O)NC1=C(C=CC(=C1)OC)OC)NC(=O)C2CCCCC2 1 3.819 2 4 -15.3360227152654 3237419 CCC(C)(C(=O)NC1CCCC1)N(CC2=CC=CO2)C(=O)C3=CC=CC=N3 1 3.068 3 3 -19.037058397626 3237416 CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)OC)OC 1 2.032 4 5 0 -25.9855422272064 3237414 CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C 1 3.024 3 6 0 -9.27836999159499 3237410 CCN1C(=C(C=N1)C2=NOC(C2)C(=O)NC3=CC4=C(C=C3)OCO4)C 1 1.294 4 4 0 -10.7477829770237 3237407 CCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CO4)S2)OCC 1 3.926 3 4 0 -10.5151930710133 3237403 COC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=N5 1 1.944 5 4 0 -18.2283367713054 3237399 CC1CCCN(C1)C(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCOCC4 1 2.257 4 3 0 -14.6567554964892 3237395 COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 1.287 4 5 0 -21.2120737609819 3237387 CC1CC2=CC(=CC(=C2N1C(=O)C)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CO4)Br 1 1.75 3 5 0 -19.7118203757494 3237377 CN(C1=C(C=CC(=C1)Cl)OC)C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.754 4 4 0 -18.1935709287067 3237376 CC1=CC(=C(C(=C1)C)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CO4)C 1 3.836 3 4 0 -10.1332408632921 3237373 C1CCC(CC1)NC2=NC(=NC(=N2)N3CCOCC3)OC(C(F)(F)F)C(F)(F)F 1 3.96 5 2 0 -7.43459591489127 3237372 C1CCC(CC1)NS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4 1 3.506 2 3 -17.2391347566903 3237368 CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.568 4 5 0 -20.8061830955081 3237367 CCN(CC)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NCC4=CC=CO4 1 4.051 4 3 0 -21.5798518674328 3237364 CCC1=CC=C(S1)S(=O)(=O)NCC2=CSC(=N2)C 1 1.854 2 2 0 -6.69126936362411 3237361 CN1CCN(CC1)C2=NC(=NC(=N2)OCC(F)(F)F)NCCOC34CC5CC(C3)CC(C5)C4 1 3.347 6 2 0 0.366318730347452 3237353 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O 1 1.755 3 5 0 -17.0699300929372 3237351 C1CC1C(=O)N2CCC3=CC(=CC(=C32)S(=O)(=O)N4CCN(CC4)C5=CC=CC=N5)Br 1 2.872 4 3 0 -18.8492955706409 3237345 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)(=O)CC(=O)NCCC3=C(C=CC(=C3)OC)OC 1 2.461 2 7 0 -0.935928974449672 3237334 COCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 1 2.141 3 5 0 -25.0652998865064 3237331 CC(C)C(C(=O)OC)NC(=O)CSC1=NC2=C(C3=CC=CC=C3N2CC=C)N=N1 1 3.684 5 3 0 -29.0044253533618 3237328 C1CCC(CC1)NC(=O)C2(CCCCC2)N(C3=CC=CC=C3)C(=O)C4=NC=CN=C4 1 3.793 4 2 -17.4742509439689 3237324 C1CN(CCN1C2=NN3C(=NN=C3C4=CC=C(C=C4)F)C=C2)C(=O)NC5=CC=CC=C5C(F)(F)F 1 3.796 7 1 0 -3.38212542600128 3237313 CN(CC(=O)NCCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=CC3=NSN=C32 1 2.006 4 5 0 -17.08449503543 3237307 CCN(CC)CCNC(=O)CS(=O)CC1=C(OC(=N1)C2=CC=CC=C2Cl)C 1 2.01 3 3 6.63305514189106 3237294 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 2.932 3 3 -7.23035376153875 3237291 C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCC(=O)NCC4=CC=CO4 1 2.954 3 4 0 -16.6027968669748 3237286 CCOC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NN4C(=O)C=C(N=C4S3)C 1 3.133 5 3 0 -12.9151886546584 3237269 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(O3)CNC(=O)C4=C(C=CC=C4Cl)F 1 2.564 4 5 0 -26.3727419110088 3237261 CCOC(=O)CN1CC23C=CC(O2)C(C3C1=O)C(=O)NC4=CC(=C(C=C4)F)C 1 0.856 2 5 0 -4.76895948803796 3237259 CCCCC(CC)CNC(=O)CN(C)S(=O)(=O)C1=CC=CC2=NSN=C21 1 3.151 4 3 0 -15.2744080659915 3237253 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NCCC3=CC=C(C=C3)Cl)C(=O)N(C1=O)C 1 1.764 4 5 0 -23.3990273245571 3237250 CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.065 4 3 0 -6.71911811408463 3237249 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4 1 3.121 4 3 0 -8.96391447783828 3237248 CC1=CC2=C(N1)C=CC(=C2)CNC(=O)NC3CCCCC3 1 3.25 3 1 -7.87962133060759 3237245 C1CN(CCC1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=NSN=C54 1 2.449 5 3 0 -10.9025729208165 3237242 C1CN(CCC12OCCO2)C(=O)CN3C(=O)C4=C(C=N3)C5=CC=CC=C5N4CC6=CC(=CC=C6)Cl 1 3.428 4 4 0 -9.95663319948697 3237234 CC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NN4C(=O)C=C(N=C4S3)C 1 3.286 5 2 0 -11.9242958881401 3237221 CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCN4CCOCC4 1 3.641 4 3 0 -22.521438667176 3237214 CCCCN(C)CCCNC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)N3CCOCC3 1 2.161 4 3 0 -18.4519421126436 3237213 CCCCNC(=O)CC1C(=O)N2C(=N1)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC(=C4)C 1 3.861 5 3 0 -26.6131588952243 3237208 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N4C=C(N=C4S3)C5=CC=C(C=C5)OC 1 3.483 4 4 0 -2.97120746030131 3237207 CCCCNC(=O)CCCCCN1C(=O)C2=CC(=C(C=C2NC1=O)OC)OC 1 2.608 3 5 0 -21.743260024983 3237199 CC(C(C1=CC=CS1)N2CCOCC2)NC(=O)CC3=CC=CS3 1 2.689 2 2 -9.51278004279927 3237192 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CN3CCCC(C3)C(=O)NCC4=CN=CC=C4 1 2.999 4 2 10.4627640071035 3237188 CN(C1CCCCC1)C(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCCC(=O)NC4CCCC4 1 3.587 4 4 0 -18.978743222749 3237187 COC1=CC(=C(C=C1)C2=NN=C(O2)NC3=NC4=C(C=CC=C4S3)OC)OC 1 3.16 4 4 0 -7.31242341190688e-002 3237184 CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=O)C3=NOC(=C3)C4=CC(=C(C=C4)OC)OC 1 4.856 4 4 0 -8.83018807372117 3237176 CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CC(=O)NCC5=CC=CO5 1 4.245 4 3 0 -26.5879639191259 3237151 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)C 1 2.804 3 2 -13.6166272049412 3237149 COC1=C(C(=C(C=C1)C2C(=C(OC3=NNC(=C23)C4=CC=CC=N4)N)C#N)OC)OC 1 2.883 5 4 0 -9.57098372496917 3237148 CCC(C(=O)NC1=C(C=CC(=C1)C)OC)N2C(=C(N=N2)C(=O)OCC)C(=O)OCC 1 3.254 4 6 0 -18.6624690644418 3237102 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)COC3=CC=C(C=C3)Cl)OC 1 2.375 4 6 0 -24.2883079816968 3237145 CCOC(=O)N1CCN(CC1)C(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F 1 3.119 3 5 0 -9.44609804465745 3237140 COCCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)CCOC)C3=CC=C(C=C3)F 1 1.772 2 4 0 -10.5921897948792 3237139 CCOC(=O)N1CCN(CC1)C(=O)C2CC(=O)N(C2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC 1 2.303 3 6 0 -7.50025055745354 3237135 COC1=CC(=C(C=C1NC(=O)CCC2=NC(=NO2)C3=CC=CS3)Cl)OC 1 3.066 3 4 0 -14.9455052408002 3237132 CC(C)CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)N4CCC5(CC4)OCCO5 1 2.354 3 4 0 -10.6881605067136 3237129 CC1=CC=CC(=C1)C2=NC(=C(O2)C)CSCC(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.331 4 2 8.12487892266317 3237126 C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5 1 3.824 3 4 0 -9.47005104625078 3237125 CCN1CCN(CC1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC 1 4.01 4 2 -8.74648957507688 3237124 C1CN(CCN1CCNC(=O)CCCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=O)C4=CC=CC=C4 1 2.832 5 3 0 -11.6323649218724 3237116 CC1CC(CN(C1)C(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCCC(=O)NC4CCCC4)C 1 3.285 4 4 0 -20.4508231719771 3237115 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)NCCCN3CCOCC3 1 1.996 3 3 0 -2.70411956812357 3237100 COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4)OC 1 3.987 3 5 0 -16.5062351698674 3237095 CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCC5(CC4)OCCO5)C 1 3.37 2 6 0 -14.2120478240601 3237085 CCC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=CC5=C(C=C4)OCCO5 1 3.746 5 4 0 -24.7909546297453 3237076 CN(CC(=O)N1CC(=O)N(C(=O)C1)CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 0.981 5 5 0 -13.4231226237227 3237075 C1=CC(=CN=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl 1 3.613 3 2 -4.67642572473759 3237072 CC12CC(C3=CC=CC=C3O1)NC(=O)N2C4=CC=CC(=C4)C(=O)N5CCN(CC5)C6=CC=CC=N6 1 3.211 5 3 0 -7.41368345988496 3237065 CC1(CC2=C(C(=O)C1)C(C(=O)O2)(C(F)(F)F)NC(=O)C3=CC=CS3)C 1 2.583 1 4 -13.9150034213846 3237061 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br 1 5.314 4 2 -6.4304232569056 3237051 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N4CCCC5=CC=CC=C54 1 3.237 2 5 0 -14.5092899264695 3237049 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4=C(C=CC(=C4)OC)OC 1 3.582 5 2 0 8.15448030184488 3237046 CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S1)C)C 1 1.463 3 6 0 -28.4268733034477 3237045 COC1=CC=CC(=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCC4=CC5=C(C=C4)OCO5)O 1 2.729 3 6 0 -8.19234930690724 3237042 CC(C)CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)NCCCN4CCCC4=O 1 1.799 4 3 0 -23.8295631029453 3237041 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O)C 1 4.759 3 3 0.715197959215453 3237033 CCOC(=O)CN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4 1 3.184 5 4 0 -10.5487301368736 3237027 COC1=CC(=C(C=C1)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.434 4 5 0 -11.3469262838016 3237025 CCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 1 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CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C 1 3.491 2 6 0 -12.1723818176872 3236211 CCC1CCC(CC1)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)OCC 1 3.135 2 4 -26.0211249514627 3236207 CC1CC(CN(C1)CCCNC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O)C 1 0.809 4 3 0 -22.6460997052389 3236205 CC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)F)C(=O)NCCN4CCOCC4 1 2.062 4 2 -3.18061320793663 3236193 C1CCCC(CCC1)NC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 1.477 3 5 0 -16.6186580930533 3236178 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC=CN4C 1 3.573 6 2 0 -19.4629574379463 3236175 CC1=CC=C(C=C1)C(=O)CC2(C3=CC=CC=C3N(C2=O)CN4CCOCC4)O 1 2.135 2 4 -9.239807938873 3236174 COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)OC 1 2.134 5 5 0 -23.8856897347145 3236169 CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 1.384 4 4 0 -11.4372852462391 3236166 CC(C)CCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 2.393 3 4 0 -24.3560648620224 3236162 CC1=CC=C(C=C1)CNC(=O)COC2=CC3=C(C=C2)OC4(CCN(CC4)C(=O)C)CC3=O 1 1.827 2 5 0 -17.0255627290175 3236161 CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)C(S3)C)C)C(=O)OCC)OC(=O)C 1 3.14 2 6 0 -28.2566867491224 3236160 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl 1 2.009 4 4 0 -10.8203309518936 3236157 CC1CC2=CC(=CC(=C2N1C(=O)C)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4)Br 1 2.619 2 5 0 -9.98750522464828 3236155 COC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)COC4=CC=CC=C4OC)OC 1 3.78 2 7 0 -8.38315302741997 3236147 C1=CC(=NC(=C1)NC(=O)C2=CC=C(O2)Br)NC(=O)C3=CC=C(O3)Br 1 3.253 3 4 0 -3.34455818832837 3236122 COC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC 1 2.42 3 5 0 -14.7390682073346 3236119 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC(=C(C=C3)F)F 1 2.719 2 4 -23.1698882105386 3236111 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCCCN4CCC(CC4)C 1 2.031 4 4 0 -23.5755807747069 3236107 CCN1C(=O)/C(=C/2\N(C3=CC=CC=C3S2)CCCS(=O)(=O)O)/SC1=S.CCN(CC)CC NEt3 1 3.527 2 4 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C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN(C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5 1 3.098 3 5 0 -12.2121708581128 2928726 CCOC(=O)N1CCN(CC1)C(=O)C(C)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C 1 2.466 3 6 0 -7.24858729458205 2928616 CCOC1=CC=C(C=C1)N(CC(=O)NCC2CCCO2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.241 2 7 0 -28.9939882585016 2928562 C1=CC=C(C=C1)C(CCN(CC2=CC=CO2)C(=O)C3=CC=CO3)C4=CC=CO4 1 4.233 1 4 -13.0589444527241 2928015 CC1=CC(=CC=C1)CN2C3=CC=CC=C3N=C2C(C)O 1 3.694 2 1 -4.03050982959633 2928066 C1CC2=CC=CC=C2CC1N3CCN(CC3)C4CC(=O)N(C4=O)C5=CC=CC=C5 1 3.437 3 2 6.64124908607838 2927610 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCOC)C(=O)NCC4=CC=CO4 1 0.335 5 4 0 -26.3472594339054 2927321 CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CO3)NC4=CC=CC=C41)C5=CC(=C(C(=C5)OC)OC)OC 1 3.317 2 6 0 -36.6209365403635 2927045 C1=CC=C(C=C1)C(=O)NCCOC(=O)C2=CC=C(O2)C(=O)OCCNC(=O)C3=CC=CC=C3 1 2.94 2 7 0 -9.75620047109678 2926725 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CCCCC4 1 4.092 4 4 0 -12.5754758358456 2926665 CC1C2=C(CCN1S(=O)(=O)C)C3=CC=CC=C3N2 1 1.884 2 2 0 -12.2530955511382 2926629 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 1.366 3 6 0 -22.2995330487499 2926370 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 1.267 4 5 0 -22.9351835033406 2925960 CCOC(=O)N1CCN(CC1)C(=O)CN(C2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.766 3 5 0 -11.3874042311983 2925959 CCOC(=O)C1=C(N=C2N(C1C3=C(C(=CC=C3)OC)OC)C(=O)C(=CC4=CC=CN4C)S2)C 1 4.01 3 5 0 -32.5463807241587 2925864 C1C(C(OC1=O)C2=CC=CC=C2)C(=O)NC3=NC=CS3 1 1.36 2 3 0 -5.56021006825578 2925160 CCOC(=O)C1CCN(CC1)C(=O)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 1 3.976 4 5 0 -4.92110806640799 2922119 CC1CCC2=C(C1)SC3=NC=NC(=C23)NCCN4CCOCC4 1 2.921 4 1 -9.06551383644569 2921454 CC1(C2(CCC1(OC2=O)C(=O)N3CCN(CC3)C(=O)C45CCC(C4(C)C)(C(=O)O5)C)C)C 1 1.952 2 6 0 -7.88346984520341 2921061 CC(=O)N(CCC(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)Cl 1 5.696 1 3 -2.01947502070641 2921003 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.93 4 5 0 -19.8393379744661 2920999 COC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)OC 1 2.138 2 7 0 -19.3461838687619 2920819 CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=C(C(=CC=C2)Cl)Cl 1 2.99 2 4 -1.84994034976581 2920703 CC1=C(C(NC(=O)N1)C2=C(C(=CC=C2)OC)OC)C(=O)NC3=C(C=C(C=C3)OC)OC 1 1.928 3 6 0 -34.7494797935591 2920345 CC1(NC2=CC=CC=C2C(=O)N1)CCC3=CC4=C(C=C3)OCO4 1 2.674 2 3 -2.70691297665391 2920143 CC1=CC=C(O1)C2C3=C(CCCC3=O)NC(=C2C(=O)OC4CCCCCC4)C 1 3.754 1 4 -38.0982132767288 2920111 CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4F 1 2.794 5 4 0 -11.7626093043487 2919307 CCOC(=O)C1C2(CC(S1)(OC3=C(C4=C(C=CO4)C(=C32)OC)OC)C(C(F)F)(F)F)O 1 3.245 0 7 0 -7.93126749995709 2919153 COC1=CC=CC(=C1OC)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC=CS4 1 2.11 3 5 0 -19.0068147770662 2919106 COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CO4 1 2.164 2 7 0 -18.9831667713856 2918454 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)F)C4=NC(=C(S4)C(=O)OC)C)O 1 3.135 2 6 0 -18.4728630244234 2918174 CCOC1=CC=CC=C1N2C(=O)C(C(=O)NC2=O)(CCC3=CC=NC=C3)CCC4=CC=NC=C4 1 3.535 4 4 0 -3.98733171171299 2918125 COCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC(=CC=C3)OC4=CC=CC=C4 1 3.21 1 6 0 -13.8304969888144 2917778 COC1=CC(=C(C=C1)OC)N2C(=O)C(C(=O)NC2=O)(CCC3=CC=NC=C3)CCC4=CC=NC=C4 1 3.17 4 5 0 -1.68311681468362 2917109 CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)NC2C3=CC(=C(C(=C3)OC)O)OC)C 1 2.859 2 6 0 -28.8941721734137 2915896 CCNC1=NC(=NC(=N1)OC2=NN=C(C=C2)OCCOC3=CC=C(C=C3)C)NC(C)C 1 4.378 7 3 0 -9.89684062439479 2915717 CC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC(=C(C=C3)OC)OC 1 0.318 3 5 0 -20.4262871630288 2915104 COC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3 1 2.842 2 7 0 -6.79585786134584 2914074 CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)NC4CCSC4=O)C(=O)CC(C3)(C)C 1 2.419 2 4 -24.0296824880191 2913184 CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)F 1 2.297 3 4 0 -18.7375377341891 2913079 CCNC1=NC(=NC(=N1)OC2=NN=C(C=C2)OCCOC3=CC=CC=C3)NC(C)C 1 3.892 7 3 0 -10.3850746363636 2913074 CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=C(C=C3)C 1 2.468 3 6 0 -16.7431915491049 2911999 CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)CC(COC3=C(C=C(C=C3)C)Cl)O)O)Cl 1 4.821 2 4 -2.11399406338375 2910892 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 1 4.734 4 4 0 -24.6862757908643 2909919 CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC5=C(C=C4)OCO5)C#N)C 1 4.219 3 4 0 -40.1306804081414 2909735 COC(=O)CSC1=C(C(CC(=O)N1)C2=CC=CC=C2F)C#N 1 1.958 2 3 0 -21.5483640888748 2909522 C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)C3=CC=C(O3)Br 1 3.755 2 2 -7.66526483888279 2908945 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CN4CCN(CC4)C5=CC=C(C=C5)F 1 3.882 6 2 0 -4.47965323036634 2908244 C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)NCC(COC2=CC=C(C=C2)Br)O 1 2.24 1 6 0 -10.2112561839656 2908004 C1COCCN1C2=NC(=NC3=CC=CC=C32)NC4=CC=C(C=C4)F.Cl Cl- 1 2.796 4 1 2.67550949867994 2906619 C=CCN1C(=NN=C1SCC(=O)NCCN2CCOCC2)CSC3=NC4=CC=CC=C4S3 1 2.93 6 2 0 -25.5944692103726 2906115 COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC34CC5CC(C3)CC(C5)C4)O 1 4.014 3 4 0 -18.7436648733234 2902043 COC1=CC(=C(C=C1)OC)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3F 1 3.006 3 3 -2.00533517127562 2901731 CC(C1COC2=CC=CC=C2O1)NC(=O)COC3=CC=CC=C3 1 2.714 1 4 -10.3978210221276 2901700 CC1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)Br.Cl Cl- 1 3.122 2 1 -5.66680265449966 2900748 C1CN(CCN1CCNC=C2C(=O)CC(CC2=O)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4 1 2.05 3 3 -18.6004008440138 2900156 COC1=C(C=C(C=C1)C2CC3=NC(=NC=C3C(=O)C2)NC(=O)C4=CC=CC=C4)OC 1 3.136 3 4 0 -22.0064034586109 2899491 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=CO3)NCCO.Br Br- 1 1.541 3 3 0 -4.77817029433955 2897110 CC1CN(CCN1S(=O)(=O)C2=C(C=CC(=C2)C)OC)S(=O)(=O)C3=C(C=CC(=C3)C)OC 1 2.848 2 6 0 -16.0268381661978 2891964 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O 1 3.874 3 5 0 -18.4883241920292 2888353 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)Cl)S(=O)(=O)N5CCOCC5)C)C 1 3.242 3 6 0 -30.6098574172954 2886798 C1CN(CCN1CCN2C(=O)C3C4CC(C3C2=O)C=C4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5 1 1.741 3 4 0 -15.0559716667994 2885377 CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCN2C(=O)C3=CC=CC=C3C2=O 1 2.326 3 7 0 -25.7664652463443 2885283 CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC=C(C=C4)O)S2)C5=CC=CC=C5 1 5.292 2 4 -19.1256380401544 2885126 CC1=C(C(N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=N1)C5=C(C=C(C=C5)OC)OC)C(=O)C 1 3.714 2 6 0 -26.0611229093614 2885121 CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC(=CC=C4)O)S2)C5=CC=CC=C5 1 5.292 2 4 -19.1990481669161 2885102 CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC(=C(C(=C4)OC)OC)OC)S2)C5=CC=CC=C5 1 5.484 2 6 0 -24.7916381899124 2884739 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C(=C3)OC)OC)OC)C4=C(NN(C4=O)C5=CC=CC=C5)C 1 3.325 4 5 0 -9.22216363752759 2883022 CCCCOC(=O)CN1C2=CC=CC=C2N(C1=N)CCN3CCOCC3.Cl Cl- 1 2.021 4 3 0 -9.52214148682796 2882730 C1CN(CC2=CC=CC=C21)CC(COCC3COC4=CC=CC=C4O3)O.Cl Cl- 1 2.799 1 4 -8.23187556256069 2881752 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3CCC=CC3 1 3.341 4 1 -4.69356066352953 2881578 CC(C)C1C(=C(OC2=NNC(=C12)C3=CC=CC=C3)N)C#N 1 3.33 4 1 -4.70337076394243 2879176 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC(OC(C4)C)C 1 3.683 2 6 0 -22.6449652788632 2877722 CCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)NC4=NOC(=C4)C)C.Br Br- 1 2.671 6 4 0 -9.07694531185648 2877689 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N(C)CCC3=CC(=C(C=C3)OC)OC 1 3.092 2 6 0 -10.314196550841 2875538 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)CN3CCOCC3 1 0.577 5 4 0 -24.6424833146537 2894050 CCOC(=O)C1=C(C(=C(N1)CC2=C(C(=C(N2)C(=O)OCC)C)CCC(=O)OC)CCC(=O)OC)C 1 4.809 2 8 0 -12.6102552532037 2874606 C1CC(OC1)CNCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O 1 4.476 2 2 3.60410016881901 2873894 CC1=CC=C(O1)C2=NN(C=C2C3N(C(=O)CS3)CC4=CC=CC=C4)C5=CC=CC=C5 1 4.96 3 2 0.119890845682021 2873634 CC1=CC=C(C=C1)C(=O)C[N+]2=C3CCCCCN3C(=C2)C4=CC=CC=C4.[Br-] Br- 1 5.477 2 1 0.605597693265623 2873602 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)OC(=O)C3=CC=CO3)C(=O)OC 1 2.699 1 7 0 -20.4332563904646 2873568 CC1=CC=C(C=C1)C2=CN(C3=[N+]2CCCS3)C4=CC=CC=C4.[Br-] Br- 1 5.194 2 0 -0.557675729455475 2872562 COC1=CC(=C(C=C1)OC)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Br 1 2.601 2 4 -6.22300753553606 2872371 COC1=C(C=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)NCC4CCCO4)OC 1 2.954 4 4 0 -21.6148727052492 2870897 COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O 1 2.421 0 5 -0.464728139570605 2870398 CC(=O)NC1C(C(C(OC1OCCOC2=C(C=C(C=C2)Cl)Cl)COC(=O)C)OC(=O)C)OC(=O)C 1 1.725 1 10 0 -27.4841642876509 2870371 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)C3=C(C=CC(=C3)OC)OC 1 3.394 1 4 -3.41619543447868 2870037 CN1C2CCC1C=C(C2)N(CCC3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=C(C=C4)F.Cl Cl- 1 3.959 2 3 -4.25449222478821 2869041 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=C(C=C3)OC)C(=O)C4=CC(=CC=C4)F 1 4.889 2 5 0 -4.59396001138422 2868392 CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O 1 -1.826 6 4 0 -12.1887868280045 2868052 CC(=O)C1=C(C(=O)N(C1C2=C(C=C(C=C2)OC)OC)C)O 1 0.679 1 5 0 -13.4660567896845 2866210 CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 4.502 2 5 0 4.43422456111912 2865452 COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3C2(C4=NC=CN4)O)OC 1 2.385 3 4 0 -4.75416752742687 2864065 C1CCCN(CC1)C(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 2.305 3 5 0 -22.0326808667956 2862668 CC(C(=O)NC1=NC=CC=N1)OC2=C(C=C(C=C2)Cl)Cl 1 3.005 3 2 -6.79536187167994 2862215 CC1=C(C(C(=C(N1)SCC(=O)C2=C(C=CC(=C2)Cl)Cl)C#N)C3=CC=CO3)C(=O)C 1 4.249 2 3 -26.8481511581597 2862214 CC1=C(C(C(=C(N1)SCC(=O)C2=C(C=C(C=C2)Cl)Cl)C#N)C3=CC=CO3)C(=O)C 1 4.249 2 3 -24.4443710761886 2862213 CC1=C(C(C(=C(N1)SCC(=O)C2=CC(=C(C=C2)Cl)Cl)C#N)C3=CC=CO3)C(=O)C 1 4.249 2 3 -27.1500442573605 2861951 CN1C2CCC1CC(C2)N(CCC3=CC=CC=C3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC.O.Cl Cl- H2O 1 3.728 2 4 -7.17013271145276 2861706 C1COCCN1C2=CC=C(C=C2)NC3CC(=O)N(C3=O)CC4=CC=CC=C4 1 2.191 3 3 -7.70255608372331 2861197 CC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C(=O)OCCOC)C(=O)OC 1 0.135 2 7 0 -12.6474945937215 2860579 CC1=CC(=CC(=C1NC(=O)CN2CCOCC2)C)C3(CCCCC3)C4=CC(=C(C(=C4)C)NC(=O)CN5CCOCC5)C 1 4.832 4 4 0 -6.05341895914418 2859383 CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)C(=O)OCC 1 3.917 2 5 0 -2.17193477548156 2858099 C1CCN(CC1)CCN2C3=CC=CC=C3N(C2=N)CC(COC4=CC=CC=C4)O.Cl Cl- 1 3.336 4 2 -4.53598871499894 2857240 CC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O.Cl Cl- 1 3.732 1 3 -11.2027535428886 2857205 CC1=CC(=CC=C1)N(C2CS(=O)(=O)CC2OC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl 1 5.613 1 5 -8.71837379852276 2855830 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3Br)OCO4)C(=O)OCCOC 1 2.953 1 6 0 -38.5117307295067 2855379 CC1=CC(=CC(=C1)N(CC(=O)NN=CC2=CC=CS2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C 1 4.121 3 5 0 -21.367588783685 2855313 C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(CN4C(=O)C5=CC=CC=C5S4(=O)=O)O 1 3.402 2 4 6.17066046705541 2855213 CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OC3CCCCC3 1 3.413 2 5 0 -29.4909972730404 2855194 COC1=C(C=C(C=C1)C2CC(=NN2C3=NC(=CS3)C4=CC=CC=C4)C5=CC=CS5)OC.Br Br- 1 5.409 3 2 -1.41717451320719 2855051 CCCSC1=C(C(CC(=O)N1)C2=C(C=C(C=C2)Cl)Cl)C#N 1 4.247 2 1 -11.4970600663461 2854858 CCN(CC)C1=CC=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCCOC)C 1 2.838 2 4 -41.1188309315808 2854755 CC1=C(SC=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC 1 1.981 2 3 0 -20.8389515046229 2854469 C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)O 1 3.387 2 2 -13.1941767941963 2854088 C1=CC(=CC=C1NC(=O)CCCC(=O)OCC(C(F)F)(F)F)NC(=O)CCCC(=O)OCC(C(F)F)(F)F 1 3.134 2 6 0 -16.135854745626 2849161 C1CC2=C(C(C(=C(O2)N)C#N)CC3=CC=CC=C3)C(=O)C1 1 2.308 2 2 -14.2538593886298 2848984 CC1(CC2=C(C(C(=C(O2)N)C#N)CC3=CC=CC=C3)C(=O)C1)C 1 2.766 2 2 -15.4132233045858 2847497 CCOC(=O)CCCNC(=O)CCCNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 2.822 2 4 -28.6074128315985 2846928 CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.[Br-] Br- 1 8.068 2 0 2.8252731928682 2842516 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 4.327 4 2 -1.62070068583631 2839884 CC1=CC=CC2=C1NC(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C 1 3.522 1 8 0 -16.5156191369026 2839312 CCN1C2=CC=CC=C2N(C1=N)CC(=O)C34CC5CC(C3)CC(C5)C4.Br Br- 1 3.645 3 1 -0.280971360893177 2836246 CC1C2=CC(=C(C=C2C3(CCCC3)CN1)OC)OC.Cl Cl- 1 2.92 1 2 -4.84627710640675 2835222 CC1=CC2=C(C=C1)NC(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C 1 3.522 1 8 0 -17.8194970229898 2834796 CCCC(=O)C1=C(CC(CC1=O)CC(C)SCC)N 1 2.134 1 2 -11.6059054620705 2834423 CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2C4=CC=CC=C4)C)C(C)C.[Cl-] Cl- 1 6.757 2 2 -0.461684947794825 2834414 CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2C4=CC=C(C=C4)Br)C)C(C)C.[Cl-] Cl- 1 7.506 2 2 0.546583411018158 2832588 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 4.074 3 2 13.4793777774959 2851847 CC1=CC=C(C=C1)NC(=O)C2=C(NC(=O)NC2C3=CC=C(C=C3)N(C)C)C 1 2.642 4 2 -32.5238421767195 2851586 C1CN(CCN1C2CC(=O)N(C2=O)CCC3=CC=CC=C3)C4CC(=O)N(C4=O)CCC5=CC=CC=C5 1 2.325 4 4 0 0.237617514154815 2851286 C1CN=C2N(C1)C3=CC=CC=C3N2CC(=O)C4=CC=C(S4)Br.Br Br- 1 3.023 3 1 -10.5360053196415 2831492 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 5.046 4 6 0 -24.6031395424847 2831437 COC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC3=CC=CC=C32)[N+](=O)[O-] 1 5.952 4 4 0 -16.8641900358583 2831426 COC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] 1 6.373 4 4 0 -15.4978713936196 2830589 COC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2Cl)[N+](=O)[O-] 1 5.708 4 4 0 -19.7035711581949 2829026 C1COCCOCCN(CCOCCOCCN1C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 1 2.726 2 8 0 -6.77882876364529 2828670 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3OC)OC)OC)C(=O)C1)C 1 2.261 2 5 0 -22.6007100899682 2825094 COC1=CC(=CC(=C1OC)OC)C2C3=CC(=C(C=C3CCN2)OC)OC 1 2.972 1 5 -14.4462465220132 2816489 CCN(CC)CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCC)C(=O)OCC 1 2.122 3 5 0 -18.486628433404 2814507 COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NC=C3 1 2.891 2 2 -4.95207135703848 2789368 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(CC(C)C)N3C(=O)C4=CC=CC=C4C3=O 1 2.701 5 5 0 -24.5588372134703 2787147 C1=CC=C(C(=C1)[N+](=O)[O-])SNC(CC(=O)N)C(=O)O 1 0.493 3 5 0 -11.8980143909669 2778748 CCOC(=O)C1=C2CCCC(=O)C2=C(S1)SC 1 3.175 0 3 -10.9740870192603 2775426 COC(=O)C1=C2C(=CS1)C(=O)C=C(N2)C(F)(F)F 1 2.194 1 3 -3.76952210560105 2772567 COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4 1 3.081 4 3 0 -13.4843300669299 2772518 C1=CC=C2C(=C1)N=C(N2CCO)SCCOC3=CC=CC=C3F 1 3.933 2 2 -3.44339365305394 2768749 C1=CC(=CC=C1C=NNS(=O)(=O)C2=CC=C(S2)CC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl 1 5.566 3 2 6.16965676636365 2767567 C1=CC=C2C(=C1)C(=O)C(=C3C4C(C(N3)C5=CC=CC=N5)C(=O)N(C4=O)C6=C(C=C(C=C6)Cl)Cl)C2=O 1 3.45 3 4 0 1.93082373539667 2767564 COC1=C(C=C(C=C1)CCN2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C(=O)NN=CC6=CC=C(C=C6)Cl)OC 1 2.805 4 6 0 -11.233732088365 2767233 C1CN(CCC12OCC3C(CO2)ON=C3C(=O)NN=CC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)[N+](=O)[O-] 1 3.31 5 6 0 -3.95094333671511 2766292 CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C3CC(=O)C(C(=O)C3N4C=NC=N4)C5C6=CC=CC=C6CCN5 1 5.192 4 3 0 -3.97387773566191 2765668 COC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)CC=NOCC3=C(C(=CC=C3)Cl)Cl 1 4.505 2 6 0 -5.07601008714921 2763859 C1CN(CCC12NC(CS2)C(=O)O)CC3=CC=CC=C3 1 -0.971 2 2 0 -0.821149283306637 2761171 CCC1=NC=CC(=C1)C(=S)N 1 1.498 2 0 0 -5.99470650271755 2757789 C1=CC=C(C(=C1)N2C=CNC2=S)Cl 1 2.751 2 0 -1.56307489504347 2738648 C1C(OC2=CC=CC=C2O1)CNC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 1.385 2 5 0 -11.9798316295647 2734687 C(=NN)(N)N.Cl Cl- 1 -1.48 4 0 0 0.658257141708514 2733928 CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-] Cl- 1 -1.437 1 4 0 -6.60658767887659 2733526 CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3 1 6.319 1 1 -1.80246169335031 2724383 C[C@@H]1CCC[C@H](C=CC(=O)O[C@]23[C@@H](C=CC1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4)C)O)O 1 4.1 1 5 -4.10847380550814 2724355 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O.O H2O 1 -1.63 3 4 0 -7.0135661524046 2724350 C1=NC2=C(N1)C(=S)N=CN2.O H2O 1 0.367 4 0 0 -2.91451799954193 2724160 CC(=C)[C@H]1CCC(=CC1)C(=O)O 1 2.646 0 2 -0.456109588305597 2724127 C1=CC=C(C=C1)CN.Cl Cl- 1 0.935 1 0 0 -1.87614340273178 2723754 C1CCC2=NC3=CC=CC=C3C(=C2C1)N.Cl Cl- 1 2.79 2 0 3.69052504086345 2723716 C1[C@H]([C@@H]1N)C2=CC=CC=C2.Cl Cl- 1 1.193 1 0 0 -0.85565477190185 2723601 C1=NC2=C(N1)C(=S)N=C(N2)N 1 0.236 5 0 0 -5.24181406794754 2715890 C1=CC=C(C(=C1)CN(CC(=O)NCCCO)S(=O)(=O)C2=CC=C(C=C2)Cl)F 1 1.983 2 4 0 -13.9130070444925 2700103 C1CC2=C(C1)SC3=C2C(=O)NC(=N3)CN4CCC(CC4)C5=NC6=CC=CC=C6S5 1 4.029 4 1 -10.396044486104 2699085 CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN(C)CC3=C(C=C(C=C3)OC)OC 1 2.011 4 5 0 -6.50871805940071 2698152 CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CN(C)CC2=NC(=O)C3=CC=CC=C3N2 1 1.766 5 3 0 -18.9728569640423 2690327 C1CC2=C(C1)SC3=C2C(=O)NC(=N3)CN4CCN(CC4)CC5=CC6=C(C=C5)OCO6 1 2.857 4 3 0 -12.0616079548894 2690181 C1CC2=C(C1)SC3=C2C(=O)NC(=N3)CN4CCN(CC4)CC5=CC=CC=C5 1 3.089 4 1 -11.0560455135641 2679333 CC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C)S(=O)(=O)N3CCCCC3 1 2.414 3 3 -19.3155911782388 2677903 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC)OC 1 3.55 1 7 0 -20.3195057915652 2674365 CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5 1 2.438 2 6 0 -22.5084034797221 2672892 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=C(C(=C2)OC)OC)OC 1 1.717 2 6 0 -14.1904505932092 2670170 CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 2.515 4 3 0 -7.79109991904836 2669371 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)OCO3 1 2.844 1 6 0 -17.4939645374739 2649844 CC1=CC(=C(C=C1)C)N2C(=NN=N2)SC3=NN=NN3C4=CC=CC=C4 1 3.778 8 0 0 -9.63627861731002 2649814 CC1=C(SC2=NC(=NC(=C12)OC3=CC=C(C=C3)NC(=O)C4=CC=CO4)CN5CCOCC5)C 1 3.672 4 4 0 -4.70662680334204 2649806 COC1=CC=C(C=C1)C(=O)COC(=O)CCCN2C3=CC=CC=C3OC2=O 1 3.062 1 6 0 -12.5479042725822 2649486 CC1=CC(=CC=C1)N2C(=NN=N2)SCC3=NC(=NO3)CC(=O)NC4=CC=CC=C4OC 1 2.738 7 3 0 -22.9022354543002 2622690 CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CN3C(=O)C4(CCCCC4)NC3=O 1 2.535 4 4 0 -12.4500218515733 2621130 CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 1 3.486 5 4 0 -22.8670027530878 2620816 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)NCC3=CC=CO3 1 1.684 3 5 0 -14.3494611420159 2618363 CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC)C3=CC=CC=C3 1 3.901 4 4 0 -21.0733026575863 2613931 CCOC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC(=O)NCC3=CC=CO3 1 1.737 6 4 0 -26.417156651634 2612952 COC1=C(C=C(C=C1)Cl)C2=NN=C(N2C3=CC(=C(C=C3)OC)Cl)SCCC#N 1 5.259 4 2 -7.16416036460924 2612899 CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4)N 1 2.61 6 4 0 -15.1515588907883 2610950 CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4 1 3.63 4 5 0 -21.6980114357751 2609902 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NN=C(O4)C5=CC=CC=C5Br 1 5.637 4 2 -21.0148088935384 2608862 CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)NC(=O)NCC3=CC=CO3 1 1.875 6 4 0 -24.3049172189532 2608338 CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NOC(=C3)C 1 4.252 4 3 0 -28.105935754515 2604003 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N(CC3=CC=CO3)CC(=O)NC4=CC=CC=C4OC)C 1 3.283 4 4 0 -18.2950314443782 2603870 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)N(CC3=CC=CO3)CC(=O)NC4=CC=CC=C4C(F)(F)F 1 2.97 3 4 0 -17.5009523952681 2603020 C=CCN1C(=NN=C1SCC2=CC(=O)N3C=CSC3=N2)C4CCCCC4 1 3.352 5 1 -22.299651252683 2602617 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 2.815 4 5 0 -26.4789667396678 2595628 COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(O4)C(=O)OC 1 4.708 2 5 0 -20.3141776013722 2595562 COCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC 1 2.725 3 4 0 -27.5709824954626 2594875 C1CN(CCN1C(=O)COC2=CC=C(C=C2)C3=NN=CO3)S(=O)(=O)C4=CC=CC=C4 1 0.962 4 5 0 -19.5347181547071 2594730 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OCC4=C(ON=C4C)C 1 2.763 3 5 0 -26.2470732887583 2594417 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)N3CCC4=CC=CC=C43 1 1.93 3 4 0 -28.1377924657424 2615767 CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=C(N(C(=O)N(C3=O)C)CC(C)C)N 1 2.035 7 3 0 -25.121860755157 2615672 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C 1 3.895 5 5 0 -32.7828738147489 2615575 CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=NN2C3=CC=C(C=C3)C)C 1 3.763 5 3 0 -21.0420869034202 2591729 COC1=CC=CC=C1CN2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)N5CCCCC5 1 3.512 5 3 0 -20.5279310286478 2589475 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C=CS3)C(=O)N)CC=C)C 1 2.696 4 3 0 -31.083582541137 2589460 CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=O)N4C=CSC4=N3)CC=C)C 1 3.136 4 2 -32.8191850883665 2587324 CC1=CC(=NC2=NC(=NN12)SCC(=O)C3=C(N(C(=C3)C)C4=NOC(=C4)C)C)C 1 3.43 6 2 0 -15.6673434395859 2586158 C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC(=O)NCC3=CC=CO3)C4=CC=CO4 1 2.992 5 4 0 -17.3784309999851 2576795 C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4 1 1.64 3 6 0 -25.770404325163 2576558 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2 6 0 -6.26373368998622 2400285 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC3=NC4=CC=CC=C4S3)Cl 1 3.143 2 4 -13.8561735958178 2400012 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5 1 5.328 5 4 0 2.10232562907709 2398024 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.414 4 6 0 -23.5959103288578 2396971 CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)O)C 1 2.229 2 2 -10.4747795189301 2396192 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC 1 3.187 5 3 0 -27.1046906276432 2395688 CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)CN2C=NC3=CC=CC=C32)C 1 2.168 3 5 0 -19.9270785986977 2395432 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=CC=C(O3)Br)C 1 2.519 5 2 0 -9.31795263181931 2394979 CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCOCC4 1 2.985 2 5 0 -17.0487733901752 2394619 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O 1 1.376 2 7 0 -23.1878379343036 2394567 C1CN(CCN1C(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)C5=CC=CO5 1 3.371 3 5 0 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CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC=C(O2)Br 1 0.829 3 4 0 -12.4325871349002 767833 CC1=CC(=NO1)NC(=O)CCN2C3=CC=CC=C3SC2=O 1 2.127 3 3 -14.627725091572 767827 C1CSC(=N1)NC(=O)CCN2C3=CC=CC=C3SC2=O 1 2.476 3 2 -12.2495122029274 767792 COC1=CC=CC=C1NC(=O)CCN2C3=CC=CC=C3SC2=O 1 2.972 2 3 -9.14433764147289 767767 C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)NCC3=CC=CS3 1 2.735 2 2 -13.5724322818573 767765 C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)NCC3=CC=CO3 1 2.177 2 3 -12.8776671142227 767757 COC1=CC=CC=C1CNC(=O)CCN2C3=CC=CC=C3SC2=O 1 2.979 2 3 -13.3224232503778 767720 C1CCC(=CC1)CCNC(=O)CCN2C3=CC=CC=C3SC2=O 1 3.739 2 2 -13.5226850050234 767665 C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)NCC3=CC=CS3 1 2.177 2 3 -14.337721740077 767662 C1COCCN1CCNC(=O)CCN2C3=CC=CC=C3OC2=O 1 0.68 3 4 0 -14.0255933906944 767419 C1=CC=C(C=C1)C(=O)OC2=CC=CC=CC2=O 1 2.415 0 3 -7.50365007931704 763776 CC(=O)N1C2=CC=CC=C2N(C(=O)C1(C)C)CC=C 1 1.581 2 2 0 -8.6511631301491 763676 C\1C2=C(C=CC(=C2)N)C(=O)/C1=C\C3=CC=CO3 1 2.455 1 2 3.93680560840241 759327 C1=CC=C(C=C1)NC(=S)C2=CC=CC=N2 1 3.264 2 0 -3.01304128230499 759302 CC1([C@@H](CC2=C(O1)C=CC3=C2OC(=O)C=C3)O)C 1 2.029 0 4 -3.81389014534892 757923 CCCC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=CC=C3 1 2.043 3 1 -2.14313871825594 756753 CCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)F)SCC2 1 3.083 2 1 -10.3274193582767 756752 CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)F)SCC2 1 2.734 2 1 -6.37435970283046 756732 CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)SCC2 1 2.528 2 1 -7.34753992343794 756720 CCOC(=O)C(C)(C)SC1=NC=NC2=C1NC=N2 1 1.695 4 2 0 -5.02878179740754 756696 C1CN(CCC12OCCO2)C3=NC=NC4=C3NC=N4 1 -9.2e-002 5 2 0 -2.84263297837701 756690 C1CCN(C1)C2=NC=NC3=C2NC=N3 1 0.304 5 0 0 0.966395481143296 756407 C1=CC=C2C(=C1)OC(O2)(C(F)(F)F)NC(=O)NCC3=CN=CC=C3 1 3.18 3 3 -7.52704253523891 756391 CC1=CSC(=N1)NC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F 1 3.603 3 3 -3.19402204589589 755570 CC1=CC=CC=C1CN2C3=CC=CC=C3NC2=O 1 2.968 2 1 -4.48686251054969 775491 C1=CC(=C(C(=C1)Cl)C=NNC(=O)CC2=CC(=O)NN2)Cl 1 1.163 4 2 0 -9.4899986329261 775486 C1=CC(=C(C(=C1)Cl)Cl)C=NNC(=O)CC2=CC(=O)NN2 1 1.163 4 2 0 -4.73613100242346 754321 C1CCC2=C(CC1)N=C(C(=C2C3=CC=CO3)C#N)N 1 3.24 3 1 -2.16003389080784 775074 C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC(=C(C=C3)N)N 1 1.526 2 3 0 -5.09164437785693 753136 CCOC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)OCC 1 4.257 1 4 -5.96396198988905 752652 CCN1C(=C(SC1=S)C(=O)NC2CCCCC2)N 1 2.851 3 1 -8.50687276880751 751379 CC(C)SC1=C(N=C(O1)C2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 4.081 1 4 -7.68882375688316 751375 CSC1=C(N=C(O1)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 4.165 1 3 -2.17153506852363 751269 CN1C2=CC=CC=C2N=C1CCNC(=O)C3=CC=CC=C3 1 2.784 3 1 -7.12791563249973 750538 C1=CC=NC(=C1)C(=S)NC2=CC=CC=N2 1 2.652 3 0 -1.94705779261142 750392 C1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)Br 1 2.905 1 2 -8.15016718972417 748023 CCOC1=CC=CC=C1C(=O)NCC(=O)O 1 0.851 1 4 0 -12.6384532349685 747077 CN(C)C1=NC2=CC=CC=C2C(=C1)NC(=O)CN3CCOCC3 1 0.911 4 2 0 -8.33666314646025 746125 CCC1=NN=C(S1)NC(=O)C2=C(C=CC=C2OC)OC 1 1.983 3 3 0 -14.5781534786698 745077 CC(=O)NC1=NC2=CC=CC=C2N1CCN3CCOCC3 1 1.039 4 2 0 -7.55750625252294 742145 CC1=CC2=C(C=C1)NC(=O)C(=C2C3=CC=CC=C3)N4CCOCC4 1 2.676 2 2 -4.76342916321247 741406 CC1=CC(=NC(=N1)SCNC(=O)C2=CC=CC=C2)C 1 2.518 3 1 -9.51586142301856 741350 COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)OC 1 2.291 1 4 -3.00717366113387 739718 CN1C2=CC=CC=C2N=C(C1=O)C3=CC=CC=C3N 1 1.966 3 1 0 -3.54252598041217 739607 CCSC1=NN=C(S1)NC(=O)C2=CC=CC=C2 1 2.52 3 1 -15.4942303796344 736715 C1=C(NC=N1)/C=C/C(=O)O 1 0.106 2 2 0 2.61348503616203 736392 COC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NC=CC=N3 1 0.887 5 2 0 -5.05907839725639 736181 C[C@H]([C@@H](C(=O)OC)NC(=O)C1=CC=CC=C1)O 1 0.718 1 4 0 -16.8413803759171 734374 CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3=CC=CO3)N)C 1 2.027 3 2 -9.84999858701834 733208 CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3C(=O)O 1 3.252 0 4 -2.03871845083367 728643 CCOC(=O)CC1=CSC(=N1)NC(=O)NC2=CC=CC=C2 1 2.187 3 3 -8.96844025968703 728280 CCOC1=NC(=C2C(=C1)C(=C(N=C2N)N3CCOCC3)C#N)N 1 1.161 6 2 0 -6.87793598867153 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0.537195386662497 689043 C1=CC(=C(C=C1/C=C/C(=O)O)O)O 1 1.443 0 4 0 5.33572597676989 688279 CC(C)(C)OC(=O)N1CCC[C@@H]1CO 1 1.104 1 3 0 -5.35425012212962 688272 CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC 1 0.704 3 4 0 -20.1705200369019 688020 CCN(C1=CC=CC=C1C)C(=O)/C=C/C 1 3.091 1 1 -8.48507567286987 687986 CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC 1 2.789 2 3 -14.6213953689297 686507 COC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2 1 4.35 2 1 -4.03996996664257 679583 CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)OC 1 3.51 0 5 -14.3175726381321 676337 C1=CC(=CC(=C1)NC(=O)/C=C/C(=O)O)C(F)(F)F 1 2.136 1 3 0.201327072464837 676149 CC1=CC=C(O1)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)OC 1 2.992 2 4 -5.66141154823832 676148 CC1=CC=C(O1)C(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.404 2 4 -6.72901056446326 668975 COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2 1 1.372 2 3 0 -5.10506172623549 2212701 CC1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)NC4=NSC(=N4)C5=CC=CC=C5 1 5.263 6 1 0 -6.55726523309905 2212657 CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)NC(=O)C4=CC=CO4)C 1 4.413 4 5 0 -10.9542734666755 2212606 CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)C)Br)CNC(=O)C3=CC=CO3 1 3.569 5 3 0 -21.0178566785275 2210988 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)C 1 2.075 4 2 -6.24172633476704 2211013 COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 3.016 3 3 -5.37875859545474 2207085 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)CC(=O)NC3=CC=CC=C3 1 2.55 5 4 0 -24.4847268410447 2206420 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 1.692 3 6 0 -18.3421844463317 2206119 CCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2OCC)S(=O)(=O)C 1 1.996 3 5 0 -26.9824617359027 2205156 C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NNC(=N3)C4=CC=CO4)C(=O)NC5=CC=CC=C5 1 4.563 5 3 0 -17.2545094431347 2204862 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 2.671 6 2 0 -16.053936232931 2204445 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCOCC2)CC(=O)N3CCOCC3 1 -0.66 3 6 0 -14.5370935922431 2204429 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCO4)Br 1 2.709 2 5 0 -19.2699529157109 2203505 CC(C)(C)C1=CC(=C(C=C1)OCC2=NC(=NO2)C3=CC=CC=N3)Br 1 4.407 3 2 5.68567028578288 2203116 C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCOCC5 1 2.931 5 2 0 -20.5068843475582 2202984 CCOC1=CC=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4OC 1 4.28 3 4 0 -4.00951089735674 2202776 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C)CN4CCOCC4 1 2.448 5 4 0 -27.5818070710225 2202556 CC1=CC=C(C=C1)S(=O)(=O)NCCOC2=NC(=NC(=N2)N(C)C)N3CCOCC3 1 1.31 6 4 0 -8.53345379094255 2201623 CN(C)S(=O)(=O)N(CC(=O)NC1=CC=CC=C1F)C2=CC=CC=C2 1 1.379 3 3 0 -12.9427972479008 2201404 CC1=CC2=C(C=C1)N(C(=O)N2S(=O)(=O)C3=CC=CS3)S(=O)(=O)C4=CC=CS4 1 3.466 2 5 0 -6.98557625736022 2201162 CCCC1=NN=C(S1)NC(=O)CN2C3=CC=CC=C3OC2=O 1 2.04 4 3 0 -11.3783878837343 2200936 COC1=CC=C(C=C1)C2=NN(C(=N2)SC)S(=O)(=O)C3=CC=CC=C3 1 3.634 3 3 -3.3589607490576 2200894 C1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)NC4=NSC(=N4)C5=CC=C(C=C5)Cl 1 5.441 6 1 0 -4.73526654251223 2200860 C1COC2=C(O1)C=CC(=C2)N(CC(=O)NC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5 1 2.713 2 7 0 -18.6544075737739 2200557 C1CCC2=C(CC1)SC3=C2C(=NC=N3)SCC(=O)NCC4=CC=CO4 1 3.857 3 2 -23.7978600955184 2200375 COC(=O)C1=CC=C(O1)CSC2=NN=C(O2)C3=CC=NC=C3 1 1.974 3 4 0 -10.2853706880304 2200145 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NN=C3N2C(=CS3)C4=CC=C(C=C4)Cl 1 4.746 4 2 -13.022591494502 2199964 C#CCSC1=NC(=O)C(=NN1)C2=CC=CC=C2 1 3.418 3 1 -11.7073982472463 2199587 CC1=CC=C(C=C1)OCCSC2=NN=C(S2)NC(=O)C3=CC=CO3 1 3.685 3 3 -12.881870795062 2197992 CC(C)(CO)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)CO)OC2=O 1 0.858 2 8 0 -14.01814562619 2197746 CCCSC1=NNC2=NC(=O)C=C(N21)N 1 1.149 5 1 0 -15.1651554350167 2197468 C1COCCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 1.605 3 4 0 -12.8274261258517 2197460 CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C)C 1 2.879 5 4 0 -20.7394319046109 2196864 CCN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4 1 4.053 5 1 -13.5047851824564 2196577 COC1=CC=C(C=C1)C2=CC(=NC(=N2)S(=O)(=O)CCC(=O)N3CCOCC3)C(F)(F)F 1 2.601 3 5 0 -9.93500106897767 2196508 CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCC4=CC=CC=C4C3)OCO2 1 2.122 2 4 -14.2478722709661 2196358 CC1=NC(=NN1)SCCCSC2=NNC(=N2)C 1 1.708 6 0 0 -3.08104416098937 2196101 CCN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)CC4=CC=C(C=C4)OC 1 4.037 5 2 0 -12.9345234898085 2196012 CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N 1 3.639 6 2 0 -34.3220057212501 2195956 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(CCCC4)C=C3C#N 1 3.631 5 4 0 -23.5184731899498 2194597 COCCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)C3=CC=CC=C3 1 2.897 4 3 0 -16.7494994744607 2193325 CCN1C=C(C(=N1)C(=O)NC2=C(N(C=C2C#N)C3=CC=CC=C3)C(=O)OCC)Br 1 4.041 5 3 0 -7.81339051635003 2193118 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4O3)C5=CC=CC=C5 1 4.548 4 2 -12.2585558038216 2192345 CCOC1=CC=C(C=C1)C2=NC(=C(O2)N3CCN(CC3)CC4=CC=CC=C4)C#N 1 4.119 4 2 1.94898268718092 2188965 CN(C)C1=NC(=NC(=N1)N2CCCCC2)OCCNC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 3.514 6 3 0 -9.11793694374098 2188953 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)COC3=C(C=CC=C3C)C 1 3.989 3 4 0 -20.088800138282 2183797 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC4=C(C=C3)OCO4 1 2.646 3 6 0 -8.40456180649037 2176759 C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)C1 1 4.599 0 6 -18.4250355905726 2174083 COC1=CC=CC=C1OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)N4CCOCC4 1 0.983 2 8 0 -19.5995289365029 2172338 COCCN1C=C(C(C(=C1)C(=O)OC)C2=CC(=C(C(=C2)Br)OC)OC)C(=O)OC 1 1.965 1 7 0 -10.9058120199647 2171942 CC(C)N1C=C(C(C(=C1)C(=O)OC)C2=CC3=C(C=C2Br)OCO3)C(=O)OC 1 2.623 1 6 0 -12.0497990250328 2169042 COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 2.605 5 4 0 -8.44709192416903 2168994 COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NCCCN4CCCC4=O 1 1.839 5 3 0 -24.2229588462269 2164999 CCOC1=CC=CC=C1C(=O)NC2=NN=C(S2)CC(=O)OCC 1 2.066 3 4 0 -17.1044645776279 2164739 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=CC(=C3)C4=NC5=C(O4)C=CC=N5 1 3.705 3 3 6.85643623288002 2162197 C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F)Cl)C(=O)C4=CC=CO4 1 4.745 3 3 -4.18884382179556 2161508 CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=NN=CN3C4=CC=CC=C4OC 1 4.213 4 2 -15.8359471787577 2161195 CCN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CS4 1 2.56 5 3 0 -29.5265213233186 2160670 C1=CC=C2C(=C1)OC(O2)(C(F)(F)F)NC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 3.357 3 5 0 -11.7160493480324 2187751 COCCN(CCOC)C1=NC=NC2=C1C=NN2C3=CC=CC=C3 1 1.496 5 2 0 0.680456296355998 2187408 CN(C)C1=NC(=NC(=N1)N2CCOCC2)OCCNC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 2.285 6 4 0 -10.7070230664537 2160633 COC1=CC(=C(C=C1)OC)NC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F 1 4.291 2 5 0 -5.61034777708984 2160417 COC1=CC=C(C=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=C(C=CC(=C4)Br)Cl 1 3.767 3 3 -1.8599766226681 2160377 CCOC1=CC=C(C=C1)C(=O)NC2=C3CS(=O)CC3=NN2C4=CC(=CC=C4)Cl 1 3.368 3 3 -1.11664622512214 2160339 COC1=CC=C(C=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC=C(C=C4)Br 1 3.103 3 3 -3.87276875118022 2160308 CC1=CC=CC=C1N2C(=C3CS(=O)CC3=N2)NC(=O)CC4=CC=C(C=C4)OC 1 2.875 3 3 -8.48717507491355 2160234 CC1=CC(=CC=C1)CC(=O)NC2=C3CS(=O)CC3=NN2C4=CC(=CC=C4)Cl 1 3.556 3 2 0.581259668199588 2187254 COC1=CC(=CC(=C1OC)OC)C2=NC(=C(O2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4 1 3.219 2 7 0 -13.1377231234299 2186553 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCNC3=NS(=O)(=O)C4=CC=CC=C43 1 1.573 4 5 0 -25.7471344615693 2159329 COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)C3=CC=C(S3)Br 1 3.728 2 3 -4.39458458880137 2159327 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)OC)OC 1 2.324 3 5 0 -11.5582538978011 2158328 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F 1 4.642 3 2 -0.40224597227682 2158327 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)NCC4=CC=C(C=C4)F 1 3.912 3 2 -7.83385093526105 2158311 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)NC4=CC=CC=C4C(F)(F)F 1 4.642 3 2 -5.7005629989539 2158304 CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=CN=CC=C4)CC5=CC=CO5 1 1.519 5 5 0 -21.0267323573334 2157658 C1COCCN1C(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4Cl 1 3.056 2 4 -11.4323650606042 2157647 C1COCCN1C(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl 1 3.056 2 4 -10.2333177612424 2157644 C1CCN(C1)C(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl 1 3.83 2 3 -8.31055279729875 2157626 CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC(=O)N4CCCCC4 1 4.108 2 3 -10.7902192020896 2157601 CCCN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NC3=C(C=C(C=C3)OC)OC 1 3.331 2 5 0 -14.9750311335312 2157577 CCN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NC3=CC=CC(=C3)C 1 3.326 2 3 -7.26498022909326 2157574 CCN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NC3=CC=C(C=C3)OC 1 2.824 2 4 -9.46819776504175 2157557 CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NC3=CC4=C(C=C3)OCO4 1 2.259 2 5 0 -9.66031107559197 2157556 CC1=CC(=C(C=C1)NC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)C)C 1 3.464 2 3 -9.46608260730916 2157555 CC1=CC(=C(C=C1)C)NC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)C 1 3.464 2 3 -8.48238319402517 2157349 CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C3CCCCC3 1 3.865 2 3 -3.61592457794209 2157316 CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C3=CC=C(O3)Br 1 3.367 2 4 -7.07388967407805 2157309 CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC(C)C 1 3.114 2 3 -11.366326728557 2157299 CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C3CCCC3 1 3.409 2 3 -3.26145606377401 2156445 CC1=C(C2=CC=CC=C2N1)SCCNC(=O)C3=CC=C(O3)Br 1 3.63 2 2 -6.07789159765425 2156259 C1COCCN1C(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53 1 4.015 4 3 0 -15.5503727372142 2156188 CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N 1 3.584 4 3 0 -16.1222376127891 2156187 CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=NOC(=C5)C 1 4.505 5 4 0 -26.8531624219104 2156185 CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCC5=CC=CO5 1 4.555 4 4 0 -23.7955917536604 2156102 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)NC5=CC=CC=C53 1 4.156 5 4 0 -25.6377162999914 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0 -21.9457699870721 1954982 C1=CC=C(C(=C1)C=NNC(=O)CC2=CC(=O)NN2)[N+](=O)[O-] 1 -0.271 5 4 0 -9.95002800921122 1951182 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NC5=CC(=CC=C5)OC(=O)C6=CC(=CC=C6)[N+](=O)[O-] 1 5.265 5 6 0 -11.2528310084204 1934842 COC1=CC=CC=C1/C=C/C=NN2C(=NNC2=S)C3=CC=CC=C3 1 4.091 4 1 0.982480427642434 1934103 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)Cl)/C(=O)NCCCN(C)C 1 4.551 3 3 -11.9811180657276 1907373 CCCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C3=NN=NN3CC)OC 1 3.069 5 5 0 -20.741339655371 1907335 COCCNS(=O)(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)S(=O)(=O)NCCOC 1 0.483 2 7 0 -10.681068293999 1906621 C1=CC=C2C(=C1)C(=NN=C2SC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)Cl 1 6.456 3 1 2.37812304505905 1902746 C=CCNC(=O)/C(=C/C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)/C#N 1 4.088 4 1 -9.10444581266432 1892627 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4S3 1 3.468 4 4 0 -14.5266309608119 1863987 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3 0 -13.1457427688825 1834058 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C 1 2.026 5 3 0 -13.8534558137849 1832019 COCC1=CC(=O)N=C(N1)N=C(N)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 1.608 5 3 0 -8.32210032324795 1827097 C1CCN(CC1)C2=NC(=NC(=N2)CSC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N)N 1 2.384 8 1 0 -8.65620334284091 1825638 CC1=NC(=NC2=CC=CC=C12)NC3=NC(=O)C=C(N3)CSC4=NN=C(S4)C 1 2.277 7 1 0 -16.9016093102834 1825600 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CS(=O)(=O)C3=CC=CC=C3 1 1.827 3 6 0 -13.0157609302269 1825598 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(N3)C=C(C=C4)OC 1 2.884 5 5 0 -11.8259859175456 1824214 COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=NN=NN3CC4=CC=CC=C4 1 3.318 6 3 0 -31.0204913513447 1823405 CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCOCC3)OC)[N+](=O)[O-] 1 4.029 3 9 0 -13.799430255318 1821450 CN1C=NN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4 1 3.87 5 1 -21.8938535012302 1820372 CCN(CC)C(=O)CN(C1=C(C=C2C(=C1)C3=CC=CC=C3O2)OC)S(=O)(=O)C4=CC=C(C=C4)C 1 4.46 2 5 0 -16.8053637748208 1819915 CCCOC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C)OC2=O)OC 1 4.455 1 4 -2.84298451518643 1812654 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=C(C=C4)OC)Cl 1 5.462 4 7 0 -13.1428506529868 1797286 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)CNC(=O)CC3=CC=C(C=C3)OC 1 1.12 6 3 0 -22.6939640525192 1796286 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 3.216 3 7 0 -24.4733660563655 1784115 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)OC 1 3.75 3 5 0 -22.1493176391294 1773541 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCCC3)C(=C2C#N)C4=CC=C(C=C4)OC)C#N)C 1 5.945 4 4 0 -23.3009151651787 1752356 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(O3)COC4=C(C(=CC(=C4F)F)F)F 1 5.4 2 3 -0.58677963339211 1745836 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Br 1 5.921 6 2 0 -21.4229021062415 1724552 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 1.327 5 5 0 -13.545813453824 1719971 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC=C2C=NNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 5.395 2 6 0 -7.45175031492671 1716457 CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCOCC3)F)C4=NC(=CS4)C5=CC(=C(C=C5)Cl)Cl 1 5.221 3 4 0 -2.58770194735248 1734887 CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3 1 5.263 5 3 0 -33.2257178786075 1639162 C1=CC=C(C=C1)/C=C/C=NNC(=O)CC2=CC(=O)NN2 1 0.194 4 2 0 -3.92720092270527 1635729 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C4=CC=NC=C4 1 2.119 7 3 0 -14.502767846314 1632800 C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)CSC3=NC4=CC=CC=C4S3 1 3.869 5 2 0 -25.4448578082535 1623173 CC1=NC(=NN1)S/C(=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)/C(=O)O 1 3.489 3 5 0 -3.04651241862721 1616739 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4 1 3.049 6 4 0 -11.7624972567624 1615233 CC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5 1 1.63 7 3 0 -9.17469961185095 1606723 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCCCOC)C 1 2.456 5 1 -2.36411945991004 1602774 CCOC(=O)CC1=CC(=O)N=C(N1)NC(=NC(=O)C2=CC=CC=C2)NC3=CC=CC=C3C(F)(F)F 1 3.725 5 4 0 -18.4801988756104 1589755 C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NSC(=N3)C4=CC=C(C=C4)Cl 1 3.875 7 1 0 -13.6386020111828 1589752 C1=CC=C(C=C1)C2=NSC(=N2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 1 2.926 7 1 0 -17.0803835378947 1589738 C1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)NC4=NSC(=N4)C5=CC=CC=C5 1 4.777 6 1 0 -8.22218775017497 1589729 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3 1 2.462 4 5 0 -5.2463967272266 1589630 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.612 2 5 0 -18.9292871606978 1587557 CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC(=C4C(=C(SC4=N3)C)C)N 1 4.661 6 2 0 -19.0667213345209 1584828 CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=C(C5=C(S4)CCC5)C(=O)N3 1 4.806 5 3 0 -32.9169077577228 1583933 COCCCN=C(C1=CC=CO1)N2C(=S)N=C(N(C2=S)CCCOC)C3=CC=CO3 1 3.841 4 4 0 -4.31191284097304 1575154 CC1=C(C(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C)C 1 3.826 3 5 0 -11.4131787096162 1564382 CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)NC(=O)C5=CC=C(O5)Br 1 5.724 4 4 0 -19.2284751577816 1557219 CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=NC(=CC(=N2)C)C)N3CCOCC3 1 1.399 5 3 0 -11.7178829037606 1552993 C1=COC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.866 3 4 0 -13.495566637912 1550234 COC1=C(C=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/CCC2)O 1 4.62 0 5 2.14936332986831 1550133 C1C/C(=C\C2=CC3=C(OCO3)C=C2)/C(=O)/C(=C/C4=CC5=C(OCO5)C=C4)/C1 1 4.673 0 5 -1.15286237180468 1549958 COC1=C(C=C(C=C1)CCNC(=O)/C=C/C(=O)O)OC 1 1.489 1 5 0 -10.7355145577592 1549000 C1CN(CCN1CCOCC(=O)O)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 0.453 2 3 0 -5.08344048122997 1548942 CC(C)/C=C\CCCCC(=O)NCC1=CC(=C(C=C1)O)OC 1 3.91 1 3 -11.7216366678744 1548698 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.678 2 3 -18.0290871951193 1548582 COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.028 3 5 0 -21.0707772041205 1547858 CC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.32 3 3 -17.6865339359951 1547484 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 5.524 2 0 1.22293571887068 1542103 CC1=CC=CC=C1N2CCN(CC2)C3=NC=NC4=C3C=NN4CC5=CC=C(C=C5)Cl 1 4.544 6 0 6.84672276871458 1535321 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4 1 1.758 2 5 0 -12.7349671356427 1534406 CCCC1=NN=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.059 4 4 0 -10.6795257582554 1528116 CSC1=NN=C(N1C2=CC=CC=C2)C3=NN=C(N3C4=CC=CC=C4)SC 1 4.621 6 0 -2.42806793951809 1528113 CC1=NC2=C(C=CC=C2S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C=C1 1 3.709 3 2 -5.57891813149714 1351514 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OCC3=CC=CC=C3 1 4.128 3 5 0 -13.2566510773518 1342143 COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C(C4=C3C=CC=N4)O)Br 1 4.209 3 2 8.5720458106461 1339819 C1=COC(=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)Cl 1 3.933 3 3 -8.31400180026041e-002 1339511 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=S)NC(=O)C4=C(C=CC(=C4)Cl)OC 1 6.341 4 2 -2.39989950834111 1338027 COC1=C(C=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C)OC 1 1.584 3 7 0 -28.4801984795344 1332103 COC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)N4CCCCC4 1 3.442 2 6 0 -14.7031349940961 1331358 C1COCCN1C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CO5)C6=CC=CO6 1 6.365 5 3 0 -0.848133580040444 1329847 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 1 4.529 4 4 0 -22.3422789536035 1329176 CCOC(=O)CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)SC 1 3.098 1 4 -6.18712967862167 1329004 COC1=CC(=C(C=C1)OC)NC(=O)C2=C(SC3=C2CCC3)NC(=O)CNCC4=CC=CO4 1 2.651 3 5 0 -20.0938782797291 1328093 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)NCC4=CC=CO4 1 1.71 2 7 0 -31.5402767786687 1326689 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)OCC(=O)N4CCOCC4 1 2.762 3 5 0 -17.0621929604264 1325969 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC3=CC4=C(C=C3)C=C(C=C4)Br 1 4.497 2 5 0 -4.10867618327535 1325191 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC(=C(C(=C3)OC)OC)OC)CC4=CC=CC=C4 1 5.798 0 6 -10.8112839903775 1324672 COC1=C(C=C(C=C1)Br)S(=O)(=O)N(CC(=O)N2CCOCC2)C3=CC=CC=C3 1 2.209 2 5 0 -15.6685470545879 1321618 CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 2.395 3 6 0 -6.99465907783517 1319884 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C(=C(C=C2C(=O)OC)OC)OC)OC 1 1.537 2 8 0 -14.3097271311717 1319388 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN(C3=CC=C(C=C3)Br)S(=O)(=O)C 1 2.574 3 4 0 -8.83493614325923 1319182 CN(C1=CC=CC(=C1)NC(=O)CN(C2=CC(=CC=C2)OC)S(=O)(=O)C)S(=O)(=O)C 1 0.684 3 6 0 -14.3137885068711 1318880 CC1(CC2=C(C=C(C(=O)N2C3=CC=C(C=C3)OC)C(=O)N4CCN(CC4)CCO)C(=O)C1)C 1 1.259 3 5 0 -15.169015470355 1318703 CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.648 2 7 0 -26.5645519004243 1318189 CN(C)S(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)OC)C2=CC=CC=C2 1 1.029 3 5 0 -18.7953043144268 1316704 CS(=O)C1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N 1 4.741 2 1 1.67434647017704 1316619 C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br 1 4.329 2 3 1.51209490817571 1315980 COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(O2)COC3=CC4=C(CCCC4)C=C3 1 4.181 3 4 0 -20.0392619573832 1315748 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)COC3=CC4=C(CCCC4)C=C3 1 4.052 3 5 0 -22.8377050407238 1315297 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)OC)C 1 4.343 6 1 0 5.19642412381521 1315075 C1=CC=C(C=C1)C2=C(N(C3=C2C(=N)N(C=N3)CC4=CC=CO4)CC5=CC=CO5)C6=CC=CC=C6 1 5.293 4 2 4.64450282547632 1314910 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=C(C=CC(=C3)C4=NN(C(=O)C5=CC=CC=C54)C)OC 1 2.533 5 4 0 -13.1737178697902 1314825 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4C=C(C=N4)Cl 1 3.754 4 2 -4.91549080716 1314771 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCCCC4)NC(=O)C5=CC=CO5 1 3.963 4 3 0 -6.66632330824679 1314468 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CN(C3=C(C=CC(=C3)OC)OC)S(=O)(=O)C 1 2.959 3 5 0 -8.37153490812744 1314024 COC1=C(C=CC(=C1)NC(=O)C2=CC=C(O2)Br)NC(=O)C3=CC=CC=C3Cl 1 4.01 2 4 -13.2813714917672 1313557 CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C 1 1.769 3 6 0 -24.6399316861529 1313404 CCOC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)C3CCCC3)C(=O)OC)Br)O 1 3.621 1 6 0 -7.28412066991464 1313298 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN(C3=CC(=CC=C3)Br)S(=O)(=O)C 1 2.574 3 4 0 -8.16775743701455 1313295 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 -0.166 4 6 0 -19.89561268744 1312925 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 4.238 3 3 -4.00854389952165 1312848 CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CO4)S(=O)(=O)C)C 1 4.261 3 5 0 -21.543416281685 1312519 COC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)C 1 2.204 3 6 0 -22.993244841993 1312117 CC1=NN(C2=C1C=C(S2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5 1 3.889 3 4 0 -8.95383334135002 1311520 CC1(CC2=C(C=C(C(=O)N2C3=CC=C(C=C3)Cl)C(=O)N4CCN(CC4)CCO)C(=O)C1)C 1 1.94 3 4 0 -12.934050570624 1310712 CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)N3C4=C(CCCC4)C5=CC=CC=C53 1 4.711 5 2 0 -8.42273202330396 1310627 CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CN=CC=C4 1 2.121 6 1 0 -11.1870195110859 1310349 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)Br 1 2.583 1 7 0 -22.8510613203252 1309539 CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)OCOC2 1 4.378 2 6 0 -22.1787601642728 1309133 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCOCC4)NS(=O)(=O)C5=CC=CC=C5 1 3.041 4 4 0 -7.91365340527612 1308992 CCN(CC)C(=O)CN1C2=C(N(C(=O)N(C2=O)C)C)N(C1=O)CC3=CC=CC=C3Cl 1 1.271 5 4 0 -15.6983060128054 1308906 C1CC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)CCCN4C(=O)C5=CC=CC=C5C4=O 1 2.755 3 5 0 -26.183068994674 1307924 CC1=C(C(=CC=C1)C)OCC2=NN=C(O2)SCC(=O)NC3=NC=C(S3)C 1 2.799 4 3 0 -19.8914839810068 1307598 C1COCCN1CCNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl 1 2.042 6 1 0 2.71695626136679 1307587 C1CN(CCN1C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)Br)Cl)C(=O)C4=CC=C(C=C4)Cl 1 5.735 3 2 -2.99308138478979 1307470 CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N)C3=CC(=C(C=C3)OC)OC 1 2.105 1 8 0 -11.3847589642998 1307421 C1COCCN1C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2C5=CC=CC=C5 1 3.466 3 4 0 -20.9412616308276 1307181 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)(C(=O)N)N4CCCCC4 1 1.802 5 3 0 -20.9169792999807 1306797 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C4=CC=CC5=C4C(=CC=C5)C3=O 1 1.34 3 5 0 -20.3437485225979 1306535 CC1=C(C(=CC=C1)C)OCC2=NN=C(O2)SCC(=O)NCCC3=CC=CC=C3 1 3.984 3 3 -23.3857575794721 1306434 COC1=NC(=NC(=N1)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)N5CCOCC5 1 3.085 6 3 0 5.2609746485706 1306372 C1OC2=C(O1)C=C(C=C2)CSC3=NC4=C(C=NN4C5=CC=CC=C5)C(=O)N3N 1 3.241 5 3 0 -13.2616529150991 1306224 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C4=CC=CC=C4OC3=O)C 1 1.977 5 5 0 -11.8511971280771 1306028 CCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)C(=O)CC3=CC=CC=C3)F 1 4.006 2 2 -8.49529204622468 1305851 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 1.235 3 6 0 -18.3421844463317 1305812 CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC=CO5 1 4.422 0 7 0 -4.42061171862395 1305755 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C)C 1 3.761 3 3 -7.9214820565582 1305605 CN(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)F 1 2.253 3 3 -6.05088353661064 1305492 CCCC12CN(CC(C1=O)(CN(C2)C(=O)C3=CC=C(C=C3)OC)C)C(=O)C4=CC=C(C=C4)OC 1 3.425 2 5 0 -9.56275479468669 1304689 CCOC(=O)C1=C(N=C(C(=C1)C2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)C)C 1 2.623 3 6 0 -8.75354233686973 1304554 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3=CC4=C(C=C3)OCO4)CC(=O)OC 1 2.591 1 8 0 -20.2364917836239 1304072 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)COC3=CC=CC=C3 1 3.084 4 4 0 -18.2188600127688 1303787 CN(C)C1=C(N=C(O1)C2=CC(=C(C(=C2)OC)OC)OC)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.196 2 6 0 -4.4417349993994 1303740 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 2.124 3 4 0 2.55333977507623 1303721 CCOC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.695 3 5 0 -18.0811686721046 1303477 CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C 1 2.875 5 3 0 -8.39254964602755 1303075 CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)CC4=C(C=C(C=C4)Cl)Cl)C 1 3.455 5 3 0 -6.8405792777909 1303031 CCN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C 1 2.782 6 2 0 -11.6790206062835 1302352 C1CN(CCN1C(=O)C2=CC(=CC=C2)F)C(=O)C3=NOC(=C3)C4=C(C=C(C=C4)Cl)Cl 1 4.351 3 3 1.41477941411274 1301937 CCN1CCC2=C(C1)C(=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)OC)C#N)C(=O)OCC 1 3.102 4 4 0 -17.890706391879 1301297 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)OC 1 1.321 2 7 0 -15.7440410004563 1301288 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)COC5=CC=CC=C5 1 3.174 4 4 0 -10.13186296595 1301263 COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4)OC 1 3.84 3 4 0 -6.68717156794544 1299265 CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)OC 1 3.002 3 4 0 -12.3136072774619 1299192 CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=CC=CC=C5O4 1 3.898 5 2 0 -3.6731632982814 1298215 CC1=NN2C(=NN=C2C3=C(C=CC(=C3)S(=O)(=O)NCC4=CC=CO4)OC)C5=CC=CC=C15 1 2.629 5 4 0 -12.6397740668693 1298128 C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CO4 1 3.998 4 2 -4.85958089400022 1296934 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CS3 1 3.008 3 3 -14.3734527691833 1296610 C1COCCN1C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4F 1 2.231 5 3 0 -8.47361020568207 1296568 C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(S3)Br 1 2.457 1 4 -4.38338149306815 1296537 COC1=C(C=C(C=C1)CCNC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)OC 1 1.176 6 4 0 -4.89875075867514 1296154 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)S(=O)(=O)NC(C)C 1 3.496 3 4 0 -11.3702624552211 1295953 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)CC(=O)NC3=CC=CC=C3 1 2.329 5 3 0 -19.6362708321923 1295821 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.491 3 3 1.36343736800685 1295754 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)OC)CNS(=O)(=O)C 1 1.605 3 4 0 -9.17222201325707 1295732 C1CCN(CC1)C2(CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3)C(=O)N 1 1.646 5 2 0 -9.60013590923901 1295669 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)F)S(=O)(=O)C 1 1.603 3 5 0 -19.228257498798 1295615 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN(C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C 1 1.365 3 7 0 -22.07498693225 1295483 CCOC(=O)CCC1=C(C2=C(C=C(C=C2)OCC(=O)OC(C)C)OC1=O)C 1 3.418 0 7 0 -18.6661811496915 1295371 CC1=CC(=NN1C2=NN=C(N2N=CC3=CC=CC=C3OCC4=CC=CC=C4Cl)C)C 1 4.733 6 1 0 -3.49870285328914 1295031 CC1=CC(=NN1C2=NN=C(N2N=CC3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C)C 1 4.817 6 1 0 -1.83030587245241 1294347 CC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br 1 4.452 5 2 0 -4.31446710546983 1293262 C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br 1 3.068 4 4 0 -5.47676614018657 1293245 COC(=O)C1=CC(=CC=C1)OC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.384 5 5 0 -6.19499396977635 1293207 C1=CC=C2C(=C1)C(=NS2(=O)=O)N(CC3=CC=CS3)C4=CC=C(C=C4)OC(=O)C5=CC=CO5 1 4.553 2 5 0 -8.90940329932042 1292653 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)NC4=CN=CC=C4 1 2.338 4 2 -8.61937658466447 1292318 COC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CO4 1 2.878 4 5 0 -25.9935457811265 1292272 CC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)F)S(=O)(=O)N3CCCC3 1 2.327 3 3 -16.393382020498 1291888 C1=CC(=CC=C1COC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)Cl)Br 1 4.548 2 3 -1.34409194577525 1291756 COC1=C(C=C(C=C1)Cl)C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=NC=C4 1 3.427 4 3 0 1.25997138287928 1290769 CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC(=CC=C4)NC(=O)CSC5=NC6=CC=CC=C6O5 1 4.214 6 2 0 -8.61802435498073 1290492 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC2=CC3=C(C=C2)OCO3)Cl 1 2.073 2 6 0 -5.58897489883822 1290059 COC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.347 3 5 0 -16.9820660024323 1288487 CC1(CC2=C(C=C(C(=O)N2C3=CC=C(C=C3)Cl)C(=O)N4CCCCC4)C(=O)C1)C 1 3.439 2 3 -16.5029515603177 1287952 CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=CO3)SCC4=CC=CC=C4 1 5.115 3 3 -6.3484649119162 1287099 CC1=CC(=CC(=C1OCC(=O)N2CCOCC2)C)NS(=O)(=O)CC3=CC=CC=C3 1 2.234 2 5 0 -14.7867474079884 1286955 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 0.101 6 4 0 -14.4828520854717 1286715 CCOC(=O)C1=CC=C(O1)COC(=O)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4 1 4.17 2 6 0 -3.3597131630987 1286385 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5 1 3.109 6 3 0 -21.6823136267712 1285689 C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)N4CCC(CC4)C5=NOC6=C5C=C(C=C6)F 1 5.12 4 2 -16.3017939586858 1285301 CN1C2=CC=CC=C2N=C1C3=C(N(C(=S)S3)C4=CC=C(C=C4)OC)N 1 4.738 4 1 0.45310395443027 1284154 C1COC2=C(O1)C=CC(=C2)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5 1 3.75 4 3 0 -20.222021920172 1282870 CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)F 1 4.234 2 2 -3.61036716607922 1282684 CC1(CC2=C(C(=O)C1)C3(CCN(CC3)C(=O)OCC4=CC=CC=C4)C(=C(O2)N)C#N)C 1 2.468 3 4 0 -16.1281436120383 1282336 C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(S3)Br 1 2.959 1 2 -11.5523680564614 1281369 CC1=C(C(=NO1)C)CSC2=NC3=C(C(=O)CC(C3)(C)C)C(=C2C#N)C4=CC=C(C=C4)OC 1 4.593 3 3 -21.7279377319122 1280377 COC1=C(C=C(C=C1)CCN(CC2=NC(=NO2)C3=CC=CC=C3)CC4=NC(=NO4)C5=CC=CC=C5)OC 1 4.525 5 4 0 4.47756849542617 1279745 C1CN(CCC12OCCO2)C(=O)NC3(OC4=CC=CC=C4O3)C(F)(F)F 1 3.018 2 5 0 -6.7094976995688 1278654 CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)CN5CCN(CC5)CCO)O 1 3.7 4 4 0 8.17625277123733 1276991 C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC=C3F)N4CCN(CC4)C5=CC=CC=C5 1 3.66 6 0 6.75445850435355 1275933 CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N)N4N=C5C=CC=CC5=N4 1 3.025 5 5 0 -19.2130334668708 1275837 CCN1C(=O)C(=CC2=C(C=C(C=C2)N3CCOCC3)OC)C(=O)N(C1=S)CC 1 2.706 3 4 0 -1.17225895965097 1269499 CCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC)N(C(=O)N(C2=O)C)C 1 1.824 5 5 0 -28.5698972893488 1269245 CC(=O)OC1=C(C=C2C=C(C(=O)OC2=C1)OC3=CC4=C(C=C3)C=CC(=O)O4)OC 1 2.985 0 8 0 -6.54282373659419 1289866 CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)C5=CC=CO5 1 5.224 5 3 0 -9.42962506587816 1289825 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)OC)CNC(=O)CN4CCOCC4 1 1.508 4 4 0 -16.7496015922045 1267917 COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2C#N)OCO3)S(=O)(=O)NCC4=CC=CO4 1 1.921 3 7 0 -16.7810926140793 1267916 CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3C#N)OCO4)OC 1 1.319 4 6 0 -21.3013843219125 1267758 CC1=C(N=NN1C2=NC(=NC(=N2)N(C3=CC=CC=C3)C4=CC=CC=C4)N5CCCC5)C(=O)C 1 4.28 8 1 0 -7.38492224189557 1267747 CC1=CC=C(O1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 1 4.781 3 2 -4.89581290997752 1267735 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4 1 2.243 3 4 0 -21.1612919303833 1267712 CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=C(O3)C(=O)C4=CC=C(C=C4)Cl 1 5.446 3 2 -8.46943166695251 1267694 CC1=CC(=CC(=C1N2CCCC2=O)C)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.81 3 5 0 -18.8354305826307 1288870 C1COC2=C(O1)C=CC(=C2)CSC3=NN=C4N3C(=CS4)C5=CC=CC=C5 1 4.735 3 2 -8.9004678408238 1267237 CCOC1=C(C=C(C=C1)CC(=O)NC2=C(OC3=C2C=C(C=C3)Br)C(=O)N)OCC 1 3.659 2 5 0 -3.44995796443504 1266904 C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC(=N3)N4C=CN=C4)C5=CC=CC=C5 1 3.448 7 0 0 7.84590565215705 1266786 CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.553 2 4 -7.89483001378002 1265842 COC(=O)CCC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 3.138 2 7 0 -9.40659984802431 1265630 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4Cl 1 2.886 5 3 0 -25.7494054612822 1265525 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)Cl 1 4.153 2 4 -2.64541806767036 1265467 CN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CNC(=O)C5=CC=CO5 1 3.57 5 3 0 -14.8107373482883 1265381 COC1=C(C=C(C=C1)CCNC(=O)COC2=NSN=C2N3CCOCC3)OC 1 1.416 4 5 0 -14.3257602487214 1265007 CCN1C(=CC(=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)N1)C4=CC=C(C=C4)Cl 1 2.49 5 2 0 -4.37435703160465 1264529 CCN1C(=NN=C1SCC(=O)C2=C(C=CC(=C2)OC)OC)C3=CC=NC=C3 1 2.829 4 3 0 -8.89553988495898 1264516 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)COC5=CC=CC=C5 1 3.431 4 5 0 -20.5187951168875 1264429 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.113 2 5 0 -6.25793809849234 1264407 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5 1 3.04 3 5 0 -5.28589882532366 1264006 C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCCO4 1 1.685 2 5 0 -15.9817554830612 1264004 CC1=C(C(=C(O1)C)C(=O)NC2=CC=C(C=C2)CC(=O)O)C(=O)NC3=CC=C(C=C3)CC(=O)O 1 2.123 2 7 0 -8.66912368743793 1263872 CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C4=NC(=NC5=CC=CC=C54)N6CCOCC6 1 3.318 6 1 0 6.41494035364488 1263637 CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.08 3 3 -10.8999003444269 1263429 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C(C)C)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 3.076 4 4 0 -7.79574516334274 1263379 C1CCN(CC1)C(=O)CN2C(=O)N(C(=O)N2CC(=O)N3CCCCC3)C4=CC(=CC=C4)Cl 1 2.169 5 4 0 -4.86221278930967 1263073 CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O)C 1 3.859 2 4 -5.01997164280053 1263070 CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5F 1 4.174 3 3 -7.43517492839899 1262885 COC1=CC2=C(C=C1)OC(=C2NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)C(=O)C5CC5 1 3.144 2 6 0 -8.18948952361967 1262866 C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C4=CC=CS4 1 4.079 5 1 -13.9665503326441 1262825 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=NN2C3=CC=CC=C3OC)OC 1 2.715 5 4 0 -29.1734409698191 1262772 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC)C 1 2.767 2 5 0 -18.0318864557588 1262260 CC1=C(C(=CC=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C 1 4.24 2 2 -12.3989519105843 1262214 CC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C 1 3.516 2 4 -13.3890734781273 1262191 C1CN(CCN1C(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3 1 2.576 2 3 -18.3435863120604 1262055 CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)C3=CC4=C(O3)C=CC(=C4)Br 1 4.942 4 2 -5.30887213683433 1262004 COC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 3.266 2 6 0 -4.89299864596384 1261736 CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C 1 3.094 3 4 0 -17.1731852715273 1261668 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=NC=C5 1 3.992 5 1 1.47782691334236 1261124 CCOC(=O)C1=C(N=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)OC4=CC=CC=C4)C)C 1 4.233 3 4 0 -1.94236562047059 1259713 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCN(CC2)C3=NC=CC=N3 1 2.491 5 1 -4.84729164209138 1259502 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC4=CC=CC=C4C3)CC5=CC=C(C=C5)Br 1 3.974 5 2 0 -14.5204680161275 1259409 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C(F)F 1 1.767 2 6 0 -21.8211007951742 1259392 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(CC3=NC(=NO3)C4=CC=C(C=C4)OC)C(C)C 1 4.331 4 4 0 -2.6627737713812 1258833 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CC=C5)C6=CC=CC=C6 1 4.115 5 3 0 -7.38397272814821 1258480 COC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OC)S(=O)(=O)C 1 2.24 5 4 0 -6.1524124093853 1258302 COCC(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)OC)NCC3=CC=C(C=C3)OC 1 2.186 5 4 0 -6.34710622691626 1258161 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.91 7 2 0 1.24487258279221 1257632 CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4C(=O)OC)C 1 4.064 4 5 0 -16.2750862306101 1257159 COC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CCC5(CC4)OCCO5)OC 1 3.295 4 5 0 -17.24268376603 1256865 CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3C4=CC=CC=C4N=N3 1 4.276 4 3 0 -27.8039807623471 1256814 C1COCCN1C2=NC(=NC(=N2)CSC3=NN=NN3C4=CC(=C(C=C4)F)Cl)N 1 1.782 9 1 0 -13.7720764124397 1256544 COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC3=NC(=NO3)C4=CC=CC=C4 1 3.681 3 4 0 -3.89960821141744 1255988 COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)OC 1 4.947 4 4 0 -16.242219825108 1255616 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br 1 3.802 3 3 -2.67502181233427 1255353 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(O3)Br 1 2.992 2 5 0 -10.9888208590499 1254594 CCC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl 1 4.223 5 1 -8.82403500650261 1254511 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl 1 4.318 3 4 0 -6.90657410520285 1254469 COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=O)C4=CC=C(O4)Br 1 4.109 1 5 -4.36587353730384 1254467 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br)C(=O)C4=CC=C(C=C4)Cl 1 4.285 3 3 -3.60641227138905 1253520 CC1=CC2=C(C=C1)N=C(C(=N2)N3C(=CC(=N3)C)C)NC4=CC5=C(C=C4)NC(=O)N5 1 3.289 7 1 0 -10.6491419858675 1253223 C1CN(CCN1C2=CC=CC=N2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Cl 1 4.084 6 2 0 0.206841285188841 1253133 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NOC(=C3)C 1 2.727 3 4 0 -16.8042615945519 1253064 COC1=CC=CC=C1N2C(=NN=N2)SCC3=CC4=C(C=C3Br)OCO4 1 3.884 4 3 0 -16.132109927978 1252572 CC1=CC(=CC=C1)N2C(=NN=C2SCC3=NC(=NO3)C4=CC(=C(C=C4)OC)OC)CC5=CC=CC=C5 1 5.64 5 3 0 -5.57874947166471 1252430 CC(C)N(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 2.59 4 4 0 -8.43867457667035 1252345 CCOC(=O)NC1=CC2=C(C=C1)N(C3=CC=CC=C3S2)C(=O)CCN4CCOCC4 1 3.075 3 4 0 -4.97742937038803 1252116 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F 1 2.861 2 5 0 -20.7802022439209 1251624 CS(=O)(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC4=C(C=C3)OC5=C4CCCC5 1 3.196 2 5 0 -14.7538804909706 1251408 C1CN(C2=CC=CC=C21)CC3=CN4C(=NN=C4S3)C5=CC=CC=C5 1 3.875 4 0 -5.36435970014411 1251356 C1COCCN1CCNC2=C3C(=C(OC3=NC=N2)C4=CC=CC=C4)C5=CC=CC=C5 1 4.056 4 2 3.91749251071958 1251303 CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC(=CC=C4)NC(=O)CN5CCOCC5 1 1.783 6 2 0 -8.57730424578468 1251190 CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=S)NC(=O)C3=CC=CC=C3Br 1 5.564 2 4 -9.34439747275614 1250940 COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)CCC5=CC=CC=C5)OC 1 5.61 5 3 0 -9.044737349474 1250551 C1CN(CCN1CCN2C(=O)C3=CC=CC=C3C2=O)C4=NC(=CS4)C5=CC=CC=C5 1 2.954 4 2 0.300174583653942 1250396 C1=CSC(=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)F)C5=CC=NC=C5 1 4.16 6 1 0 -4.62840423559937 1250293 CS(=O)(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCCO4 1 1.295 2 6 0 -16.2195755303574 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CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)C=NN4)C5=CC=CO5 1 4.146 6 2 0 -10.0067340206943 1248838 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CO5 1 4.288 4 4 0 -13.7335169201133 1248802 C1=COC(=C1)CN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Br)C4=NC=CN=C4 1 2.685 6 2 0 -14.9803238778664 1248570 COC1=CC=C(C=C1)NC(=O)NCCN2CCC3=CC=CC=C3C2 1 2.726 3 2 -9.7645110077838 1248514 CC1=CC2=C(C=C1)N=C(N=C2C)NC3=NCN(CN3)CC4=CC5=C(C=C4)OCO5 1 3.328 6 2 0 -2.51901861339312 1248485 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC4=C(C=C3)N(C(=N4)CN5CCCCC5)C 1 2.581 6 2 0 -6.19695237423375 1247297 CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC 1 3.518 1 6 0 -5.54532679591827 1247280 CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC=C(S2)Cl 1 3.853 2 1 -0.121971487202715 1246841 CC1=C(C(=NO1)C)C(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl 1 3.489 3 3 -6.26028261382419 1246444 COC1=CC(=C(C=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)OC)OC 1 1.795 4 6 0 -15.5407782813227 1245861 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)NCC5=CC=CO5 1 3.525 2 5 0 -22.2597554420043 1244933 CC1(CC2=C(C(=NC(=C2CO1)C3=CC=CO3)OCC(=O)C4=CC=C(C=C4)Cl)C#N)C 1 4.804 2 4 -7.67626505820865 1244790 COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CCCCC4 1 4.164 4 2 -11.6875149898321 1244663 CCOC1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.992 3 4 0 -9.36837680671912 1244590 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C=CC=C3C1=O 1 1.828 4 4 0 -17.5536250453407 1244583 CN1C2=C3C(=C(C=C2)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5OC)C=CC=C3C1=O 1 2.629 3 4 0 -13.0338541363113 1243326 C=CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CNC(=O)C5=CC=CO5 1 4.187 5 3 0 -19.1672147925416 1242603 CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.87 4 4 0 -7.78198378350428 1242562 COC1=CC=C(C=C1)N(C(=O)C2=CC=CO2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 3.317 1 7 0 -6.96558694983414 1242554 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C3=CC=C(C=C3)OC)C(=O)C4=CN=CC=C4)N(C1=O)C 1 2.079 4 5 0 -16.4530372942287 1242540 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=C(C3=CC=CC=C32)O 1 2.951 1 5 -0.910284994588948 1242143 CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(O3)Br 1 3.288 3 3 -7.17589384919792 1242096 C1CC2=C(C1)C=C(C=C2)OCC3=CC=C(O3)C(=O)N4CCN(CC4)C5=CC=CC=C5 1 4.97 2 3 -4.87010478034827 1241577 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3)OC 1 2.285 4 6 0 -17.5480250105353 1241167 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCCN(CC3)C(=O)C4=C(ON=C4C5=CC=CC=C5)C 1 3.28 4 4 0 -7.71093251273916 1240332 CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.843 4 2 -13.3266579623627 1240150 CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.709 3 2 -6.5400642014029 1239155 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)NC(=O)CN3CCOCC3 1 1.324 5 3 0 -19.0401552305279 1238329 CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3)C)CN4CCCCC4 1 4.688 2 5 0 -10.1864371626379 1233877 CN1CCN(CC1)C(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C 1 1.901 3 3 0 -12.6085215369147 1232314 COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)OCC4=CC=NC=C4 1 4.796 2 4 -6.05937527631439 1228113 CN(C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C 1 1.765 3 5 0 -23.0020110751281 1223566 CC1=C(C(=NN1C)C)CN(C)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CO4)C(F)(F)F 1 3.319 6 2 0 -10.2105328772532 1223141 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Br 1 4.354 1 6 0 -9.1097845813376 1223126 CN1CCN(CC1)C(=O)C2=CC(=CC=C2)COC3=C(C=CC(=C3)Cl)Cl 1 4.097 2 2 -1.42021492656023 1214284 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC(=O)C5=CC=CC=C5N4 1 2.144 4 3 0 -3.05373561129908 1214209 CC1(CC(=CC(=O)C1)NCCN2CCN(CC2)C(=O)CC3=CC=C(C=C3)Cl)C 1 2.568 3 2 -19.0592074112567 1214081 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC(=O)NCCC4=CC=CC=C4 1 2.647 6 3 0 -24.5863863331304 1210780 COC1=C(C=C(C(=C1)/C=C/2\C(=O)N(C(=O)S2)CC(=O)N3CCCC3)Br)OCC(=O)OC 1 2.297 2 7 0 -17.9868678362986 1209088 C1COCCN1C(=NP(=S)(N2CCOCC2)N3CCOCC3)C(F)(F)F 1 -2.1e-002 4 3 0 -4.5534656661992 1208521 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4 1 3.439 4 2 -18.2986639499561 1205156 CCOC1=NC(=NC(=N1)N2CCCCC2)N3C(=C(N=N3)C4=CC=CC=C4)C(=O)OCC 1 4.502 7 3 0 -2.14874573258674 1204923 CN1C2=C3N=NC4=CC=CC=C4N3C(=C2C(=O)N(C1=O)C)C5=CC=C(C=C5)OC 1 2.945 5 3 0 -7.88524572829676 1203225 C1COCCN1CCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3 1 2.104 3 4 0 -15.4498777597212 1192523 CCOC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C 1 2.577 4 5 0 -15.039190894264 1190726 C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(O3)Br 1 3.281 3 4 0 -18.7987985719333 1187349 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C 1 3.238 3 7 0 -23.0622088744481 1186215 CCN1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(O3)C)C(=O)OCC 1 2.312 3 4 0 -6.94372546026662 1186193 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C(=C(S4)C)C5=CC=CC=C5)C(=O)N3CC=C 1 4.033 5 3 0 -35.026286920011 1184236 CC1=CC(=C(N1CCC2=CC(=C(C=C2)OC)OC)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4 1 4.518 5 3 0 -26.1722228208538 1179237 C1COCCN1CCNC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F 1 2.573 3 4 0 -9.03769912924477 1179153 CCOC(=O)C1=C(NC(=C(C1C2=C(C=CC(=C2)N)OC(F)F)C(=O)OCC)C)C 1 2.628 2 5 0 -16.759633684534 1178217 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=C(C(=C(C=C4)OC)OC)C(=O)S3 1 2.007 3 5 0 -16.9387632696091 1177322 COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N)OC 1 4.348 3 4 0 -8.52078637484694 1177170 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C(=O)N(C3=O)C4=CC=C(C=C4)OC)Cl 1 1.645 4 4 0 -14.1864764196652 1177169 CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.147 4 3 0 -13.9618068048548 1176289 CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)OC 1 5.076 4 2 -6.55360530031479 1172751 COC1=CC=C(C=C1)C2=CSC(=N2)N(CCC3=CC(=C(C=C3)OC)OC)C(=O)COC4=CC=CC=C4 1 5.455 2 5 0 -3.54752734435288 1169832 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)COC4=CC=CC5=CC=CC=C54 1 4.537 4 4 0 -19.5031006180182 1168576 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=N3)CC4=CC=CO4 1 3.409 3 5 0 -12.0384836596333 1167735 CC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N3C4=C(C=C(C=C4)OC)C(=CC3(C)C)C 1 4.774 3 3 -11.5974725030778 1167476 CCOC(=O)N1CCN(CC1)C(=O)CN(C2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.485 3 5 0 -10.6755272057331 1166837 C1COCCN1C(=O)CSC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCOCC4 1 1.362 4 4 0 -12.1774659812911 1166185 C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)SCCC(=O)NCC4=CC=CO4)C(F)(F)F 1 4.273 3 4 0 -12.6410060217497 1166022 COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CO3)C(F)(F)F)OC 1 4.224 3 4 0 -14.3559232558394 1164869 CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)CCSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 5.97 5 2 0 -9.96767675476452 1164849 C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 4.479 3 4 0 -6.82020155839525 1164796 COC1=C(C=C(C=C1)CCNC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3)OC 1 5.006 3 4 0 -12.865735735031 1164173 CCOC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.525 2 4 -19.1844506792482 1162380 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC4=C(C=C3)OCCO4)C(=O)OC 1 3.411 2 6 0 -5.8767761354273 1161245 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=CS4 1 4.002 3 3 -14.5704551071603 1161055 C1=CC2=C(N=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br 1 3.073 3 3 0.725126405422916 1160868 CCOC(=O)N1CCN(CC1)C(=O)CN(C2=C(C=CC(=C2)C(F)(F)F)Cl)S(=O)(=O)C 1 2.028 3 5 0 -9.37367668912459 1160013 CC1=C(C=CC(=C1)OC)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)OC)C 1 2.533 2 6 0 -10.795741893674 1159974 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=C4C=CC=C5C4=C(C=C3)NC5=O 1 2.423 3 4 0 -20.2898614695123 1158045 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.678 3 4 0 -17.2125180807781 1154509 COC1=CC(=CC(=C1OC)OC)C2=NC(=C(O2)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.883 2 7 0 -10.4197147936069 1152703 CCN1C=C(C(=N1)C)CN(C)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 3.957 5 2 0 -9.12355471099976 1152678 C1CSCCN1C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 3.525 3 2 -4.77959133524122 1152638 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 4.794 4 3 0 -9.36478460290447 1152583 C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 4.633 4 2 -1.72334423356763 1152575 C1=COC(=C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CS3)C(F)(F)F 1 4.21 3 2 -10.9391027832314 1151907 COC(=O)C1=CC=C(O1)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 4.739 2 4 -3.83210555922139 1151859 CCOC(=O)CS(=O)(=O)C1=NC(=CC(=N1)C(F)(F)F)C2=CC=CC=C2 1 3.471 2 4 -4.49470102858628 1148769 CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C 1 1.981 3 6 0 -11.5289095954529 1148190 COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3C(F)(F)F)OC 1 3.694 2 3 -4.26896753815933 1148050 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)OC)OC)OC 1 2.059 2 6 0 -11.3387960868172 1146208 C1COCCN1CCNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F 1 3.523 4 2 -10.4807108535242 1144145 CC1=C(C=C(C=C1)C(=O)NC2=NC=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.958 3 4 0 -17.8589893471338 1143706 C1CCC2=C(C1)C=CC=C2N(CC(=O)NCC3=CC=CC=C3)C(=O)CN4N=C(N=N4)C5=CC=CC=C5F 1 4.709 6 2 0 -16.5296795216714 1143682 C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4 1 3.645 3 3 -24.8590802186505 1142386 C1COCCN1C(=S)C2=CC(=C(C(=C2)Br)OC(=O)C3=CC=C(C=C3)Cl)Br 1 5.948 1 3 -5.51518074766278 1137961 COC1=CC(=C(C=C1)N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4)OC 1 2.895 2 7 0 -17.6112412525233 1137865 CCOC(=O)N1CCN(CC1)C(=O)CN(C2=C(C=CC(=C2)Cl)OC)S(=O)(=O)C3=CC=CC=C3 1 2.646 3 6 0 -13.7932985456365 1137240 CCN1C(=NN=C1SCC(=O)N2CCC(CC2)C)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C 1 2.266 6 3 0 -28.4572163482478 1137123 CCOC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C 1 1.545 2 6 0 -20.2061996687778 1136958 COC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4 1 2.895 2 7 0 -17.5857446008243 1134639 C1=CC(=CC=C1NC(=O)CSC2=NC(=O)C=C(N2)N)Br 1 1.619 4 2 0 -14.6188461071315 1130523 CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)CN5CCN(CC5)C)O 1 3.726 4 3 0 6.28848243600571 1130514 CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)CN5CCOCC5)O 1 3.97 3 4 0 3.9028947150011 1130354 COC1=NC2=CC=CC=C2C(=C1)C(=O)O 1 2.168 1 3 -5.57707292280265 1130311 CC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4=NC(=CS4)C5=CC=CC=C5 1 5.695 6 2 0 -11.591978266147 1123806 COC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 1.955 1 7 0 -17.9544726152464 1120541 CCOC1=CC=CC=C1N(CC(=O)N2CCOCC2)S(=O)(=O)C3=CC=CC=C3 1 1.809 2 5 0 -19.9486657719053 1119908 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)O 1 1.132 2 5 0 -16.3914948961152 1119292 C1COCCN1CCC(=O)NC2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4 1 2.246 3 3 -9.02719690893064 1119291 C1COCCN1CC(=O)NC2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4 1 1.998 3 3 0 -10.1984732230484 1119227 CC1=C(C(=C(C(=N1)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 1 5.515 3 3 -15.8909523214218 1117945 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)N4CCCC4 1 2.574 2 6 0 -21.8825778392501 1116954 CCNC1=NC(=NC(=N1)N(CCOC2=C(C=C(C=C2)Cl)Cl)C#N)NC(C)C 1 3.692 7 1 0 -6.28454898440352 1112348 COC1=C(C=C(C=C1)C(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)OC 1 5.017 2 4 -7.70421641110754 1111059 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=CO5 1 2.693 6 3 0 -20.7889215094363 1107693 CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(=O)NC4=CC=CC=C4)N(C(=O)NC3=O)C 1 3.483 5 3 0 -16.3227907234161 1107099 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NN=C(S3)C4=CC=CC=C4)Cl 1 2.482 4 4 0 -22.4650409033658 1105044 COC1=CC=CC=C1N2CCN(CC2)C(=O)CN(C3=CC=CC=C3OC)S(=O)(=O)C4=CC=CC=C4 1 3.385 3 5 0 -14.9889312331557 1125854 C1COCCN1C(=O)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Br 1 3.112 1 4 -11.5340677508456 1125110 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)OC 1 2.47 2 6 0 -12.5643569444549 1102643 C1CN(CCN1C(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CC=C4 1 1.257 3 4 0 -12.9155138833666 1102161 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NC=CS3 1 1.081 3 4 0 -21.2205273615313 1102156 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC=CO4)Br 1 4.224 2 6 0 -21.9831923987778 1101800 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C 1 1.496 4 4 0 -10.47667072275 1101801 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C 1 1.081 4 6 0 -17.4868387658644 1101757 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC=CS3)Cl 1 2.31 3 3 -19.3317036471001 1100799 CC1=C(C(=NN1CC(=O)NCCN2CCOCC2)C(F)(F)F)Br 1 1.63 4 2 0 -15.0569742327765 1097634 CC(C)OC(=O)CC12CN3CC(C1=O)(CN(C2)C(=O)C4=CC=CC=C4C3=O)CC(=O)OC(C)C 1 0.976 2 7 0 -10.9640828636398 1095806 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)NC2=CC3=C(C=C2)OCO3 1 1.821 2 6 0 -12.7636385409204 1095055 C1=CC=C(C=C1)CCNC(=O)C2=NC(=CC=C2)C(=O)NCCC3=CC=CC=C3 1 3.762 3 2 -11.0319158415973 1094261 CN1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 1.783 6 1 0 -11.8821305952888 1094029 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=NOC(=C4)C 1 3.341 5 2 0 -15.7791888596605 1094006 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.85 6 1 0 -5.35910372425828 1093439 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)N4C)C 1 0.685 5 4 0 -20.9228662442736 1093414 CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=C4)N 1 2.415 4 2 -3.52575606416388 1093362 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3OC 1 2.161 2 6 0 -19.728739188553 1092932 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)C)OC 1 2.413 2 5 0 -12.6414565253443 1092114 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)O 1 0.926 4 2 0 -16.5937333741356 1092002 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC=CC=N3)CC4=CC=C(C=C4)Cl 1 3.55 6 2 0 -12.8509982515876 1091994 CC1CCN(CC1)C2=NC3=C(N2CCSC4=NC=CC=N4)C(=O)NC(=O)N3C 1 1.879 7 2 0 -9.42126709749327 1091991 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCSC4=NC=CC=N4 1 1.627 7 2 0 -8.01286890348434 1091870 COC1=C(C=CC(=N1)C2=CC=C(C=C2)Cl)C3=NOC(=N3)C4=CC=NC=C4 1 3.978 4 2 6.36552287009519 1091859 CN1C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)N(C1=O)C 1 1.657 3 4 0 -15.216274899623 1091697 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl 1 3.22 3 3 0.700684709316974 1090716 CC1(CC2=C3C(=C(SC3=NC(=C2CO1)N4CCOCC4)C(=O)N5CCCCC5)N)C 1 2.466 4 3 0 -15.6378886027391 1090235 COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCC4=CC=CC=C4C3 1 2.757 6 1 0 -6.35321843414463 1090111 COC1=CC=CC(=C1OC)CNC2=NC3=CC=CC=C3N2CCN4CCCCC4 1 4.035 4 2 -5.08148872314778 1090048 C1CN(CCN1C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=C5 1 3.426 3 4 0 -9.37156019220149 1089317 CC1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C 1 3.195 5 2 0 -8.8858030362495 1089001 C1=CC=C(C=C1)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)NCC4=CC=CO4 1 3.558 2 3 -17.4480512549709 1088681 CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)CN3CCOCC3 1 1.594 5 4 0 -19.6360969579533 1088389 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)CN3CCCCC3 1 3.572 2 3 -4.42492826216146 1088156 CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCN(CC3)C(=O)C4=CC=CC=C4 1 3.583 2 4 -0.568103256510919 1087706 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl 1 3.335 2 4 -16.5357674664471 1087200 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 3.403 3 4 0 -22.804670389951 1086995 CC1=CC=CC(=C1)C2=C3C(=C4N2C5=CC=CC=C5N=N4)N(C(=O)N(C3=O)C)C 1 3.448 5 2 0 -5.03724073074332 1086920 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 3.195 3 4 0 -22.5961026398337 1085660 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC(=O)NC3=CN=CC=C3)C4=CC=C(C=C4)F 1 2 3 5 0 -17.9341873352023 1085631 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.543 2 6 0 -10.4304927509231 1085594 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C4=CC=CC5=C4C(=CC=C5)C3=O 1 1.628 4 3 0 -14.1929241231767 1085593 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CO4 1 1.175 3 6 0 -15.2668158149047 1085585 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C5=CC=CC6=C5C(=CC=C6)C4=O 1 2.473 3 4 0 -3.38740370417298 1085582 COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F 1 3.413 2 4 -10.7410979634471 1085423 CN(CC(=O)NC1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.336 2 7 0 -20.8465197824344 1084981 COC1=C(C=C(C=C1)CCN2CC(=C3C4=CC(=C(C=C4CCN3C2)OC)OC)C#N)OC 1 3.696 3 4 0 -6.5424295115089 1084691 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC4=C(C=C3)OCCO4 1 3.005 2 6 0 -16.800134530492 1083014 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2 1 2.644 1 5 -22.5270386303781 1081951 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.623 2 6 0 -24.9298366078175 1080236 COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)COC3=CC=CC=C3Cl)C#N)OC 1 4.264 3 4 0 -9.3265354960708 1080067 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CCOCC4 1 1.994 3 4 0 -17.6486330039501 1078539 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CCC5(CC4)OCCO5 1 2.309 5 2 0 4.47354480198324 1078338 CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCCN(C)C 1 2.372 3 4 0 -5.58536607415588 1077711 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.408 2 5 0 -16.7054040520689 1077674 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)C 1 2.429 2 4 -13.9579514273968 1077177 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.999 2 7 0 -13.705983495938 1076450 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)N)C3=CC=CC(=C3)C(F)(F)F 1 2.692 3 4 0 -10.0144232731675 1076406 CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 2.432 2 7 0 -20.905940160206 1076329 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OC 1 2.895 2 7 0 -18.8809513870774 1075715 COC1=C(C=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C)OC 1 1.488 3 7 0 -13.927416140925 1075491 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 2.429 3 5 0 -15.4198912937111 1074047 COC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)OC 1 4.887 3 4 0 -7.59617994949256 1073210 CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=CC=C2N3CCOCC3 1 1.597 5 4 0 -14.9420509655734 1073056 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC(=O)N3CCC(CC3)C(=O)N 1 1.962 3 4 0 -12.8390277211497 1072880 CCOC(=O)N1CCN(CC1)C(=O)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=N4)C5=CC=CC=N5 1 3.274 7 3 0 -4.6079958666121 1072534 CCOC(=O)C1=C(C2=C3CC(N(CC3=C(N=C2S1)N4CCOCC4)C)(C)C)N 1 2.609 4 3 0 -10.8726489809368 1071919 CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC=C4N3 1 3.1 4 2 -16.3763077212642 1071283 C1COCCN1C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.468 2 6 0 -19.2329600217593 1070531 CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C 1 2.177 4 2 -6.85080857092557 1069530 C1=CC(=CC(=C1)Br)C2=CC=C(O2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CO4 1 4.747 2 4 1.78261673737928 1069012 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5 1 2.865 6 3 0 -13.2035550637167 1068748 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)OC(C(F)(F)F)C(F)(F)F 1 4.164 5 2 0 -4.96551845488967 1068280 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C4=CC=CS4)C5=CC=C(C=C5)Br 1 5.328 4 1 -5.93157481945403 1067741 C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NN=NN4C5=CC=CC=C5 1 4.098 6 1 0 -19.9722185584315 1050766 COC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)CNCC4=CC=CO4)OC 1 2.651 3 5 0 -22.001246158396 1049305 COC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.299 2 7 0 -25.7005988484419 1048410 CC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)OC 1 4.801 2 4 -11.1106541472684 1046064 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O)C 1 1.791 2 4 0 -16.7458049505757 1045636 C1COCCN1C2=NC(=NC(=N2)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)C#N)N 1 3.641 7 1 0 -5.26167567483132 1045078 CC1=CC=C(C=C1)NC(=O)C2(CCCCC2)N(CC(C)C)C(=O)CN3C(=NN=N3)N 1 2.443 7 2 0 -23.3653048815155 1043849 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O 1 3.635 2 4 -8.63296709150704 1043227 C1CC2=CC=CC=C2N(C1)C(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CO5)C(F)(F)F 1 5.514 4 2 -8.589281081954 1040497 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)C(C)C)O 1 3.926 2 3 -6.94705941883105 1037916 COC1=C(C=C(C=C1)CC(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)OC 1 5.052 2 4 -7.60654207411546 1037128 CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C3=CC=CS3 1 3.036 2 5 0 -17.167255768319 1036854 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OC2=CC=CC(=C2)C3=NC4=CC=CC=C4N=C3)Br 1 5.236 3 4 0 -8.05035001251506 1036749 C1CCC(CC1)NC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CO4)C(F)(F)F 1 5.059 4 2 -7.63518076681553 1035266 CC1=CC(=CC=C1)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.339 4 4 0 -28.1092693667106 1034422 C1COCCN1CCN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)N5C=CC=CC5=N3 1 1.383 5 4 0 -23.0593467969014 1034420 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN5C(=NN=C5S4)C6=CC=CO6 1 4.906 5 1 1.22953679308106 1034419 C1=COC(=C1)C2=NN=C3N2N=C(S3)C4=CC=C(O4)C5=CC=C(C=C5)F 1 4.184 4 2 3.00863351639293 1034346 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.042 3 4 0 -19.6370741506345 1034261 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)N3CCOCC3)OC4=CC=C(C=C4)OC 1 2.807 1 7 0 -8.53316463466528 1026627 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)OC3=CC(=C(C=C3)NC(=O)C4=CC=CO4)NC(=O)C5=CC=CO5 1 3.929 3 7 0 -3.97190604662233 1026546 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)NC(=O)CC4=CC(=C(C=C4)OC)OC 1 4.327 3 4 0 -3.29277759080482 1026416 COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CO4 1 3.966 3 4 0 0.699811842012438 1021986 CS(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)C3CCCCC3 1 2.788 3 3 -2.63475837185951 1020319 CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCSC3=NN=NN3C4=C(C=CC=C4C)C 1 5.346 8 0 0 -11.7817791808861 1019608 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)C 1 3.123 4 3 0 -23.3440802726438 1017348 CC(C)(C)NC(=O)COC1=C(C=C(C=C1Cl)CNC2=CC3=C(C=C2)NC(=O)N3)OC 1 2.707 4 4 0 -22.8480568966436 1015636 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl 1 2.261 4 3 0 -13.4279436397563 1015563 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.393 2 4 -9.48379487201426 1015460 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3C(C)C 1 3.27 3 5 0 -17.6433812859668 1010771 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC(=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5F 1 4.327 4 2 -1.85676059131228 1010080 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC(=O)N(C(=O)N3C)C 1 2.077 4 4 0 -16.80081274347 1009399 CC1=NN=C(O1)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 1.976 4 3 0 -15.5392652815591 1006732 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br 1 2.706 2 4 -12.6796286157615 1005987 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 4.142 3 4 0 -5.96550431762203 1005954 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3 1 2.125 1 7 0 -12.4036412468504 1005462 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC=C3F)F 1 2.598 2 4 -12.3296955645913 1002592 C1CN(CCN1CCNC(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)C4=CC5=CC=CC=C5OC4=O 1 2.118 3 6 0 -17.1732764424679 1000784 CS(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC=CC=C2)C3=CC(=CC=C3)Br 1 2.59 3 3 -8.11348864953743 1000713 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC3=CC=CC=C3C2)C4=CC(=CC=C4)Cl 1 4.598 2 3 -14.5871047396235 999019 C1COC2=C(O1)C=CC(=C2)NC(=O)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5 1 2.738 2 7 0 -23.0706433926355 998899 C1CC2=C(C(=O)OC3=C2C=C(C=C3)O)N(C1)C(=O)CN4CCN(CC4)CC5=CC=CC=C5 1 2.726 3 4 0 -7.31765727216473 998049 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C 1 2.363 4 3 0 -11.821655889899 997370 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl 1 2.083 2 4 -18.5197397401503 995493 COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)COC3=CC4=C(CCC4)C=C3 1 5.094 1 4 -13.2387293059473 995433 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 1 2.781 6 3 0 -21.4781672402017 993869 COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4 1 4.819 3 3 -10.301572346977 993261 CC1=NN(C(=C1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3)C4=CC=CC=C4 1 5.097 5 2 0 -7.17450854467635 993259 CC1=CC(=NO1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 3.602 4 3 0 -13.4417461880684 993250 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 4.174 3 6 0 -12.664119637098 993245 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 5.2 3 2 -6.88617991431525 992741 CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl)COC4=CC=CC=C4 1 3.394 5 3 0 -13.231240681926 992505 CCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=C4C=CC=C5C4=C(C=C3)NC5=O)C 1 2.834 2 6 0 -21.019413246024 992286 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)Cl 1 2.091 2 6 0 -7.03427605240666 991851 COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)OC 1 1.971 2 6 0 -13.5483182901893 991822 COC1=CC(=C(C=C1Cl)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl 1 3.568 2 5 0 -11.9612187045211 991372 CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=C(C=C(C=C4)O)O)C(=O)C1)C 1 3.232 0 5 -7.65432306657691 990968 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br 1 2.126 3 5 0 -15.672156830709 990860 CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CN(C)S(=O)(=O)C3=CC=CC=C3 1 2.341 5 3 0 -23.0113324569332 990847 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CSC3=NC4=C(C5=C(S4)CCC5)C(=O)N3C 1 4.247 5 2 0 -28.8561652712818 990688 CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)OC)C4=C(S2)C(=O)N(N=N4)C5=CC=C(C=C5)C(=O)C)C 1 5.339 4 5 0 -15.6052212141977 989656 CC(C)(C)N(C(=O)C1=CC(=CC=C1)C(=O)N(C(C)(C)C)NC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 4.187 4 4 0 -8.15726583725023 989262 COC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.943 3 7 0 -20.5550448099357 989249 COC1=CC=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.513 2 5 0 -8.30386375883865 989227 CN(C1=CC=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)S(=O)(=O)C 1 0.318 3 6 0 -8.56336330808175 989172 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 0.294 4 5 0 -14.2205615388479 988894 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(O2)Br)OC 1 2.4 1 6 0 -13.2519825929566 988004 CC(C)CCN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C 1 3.263 5 2 0 -16.1247057701835 987053 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCN3CCOCC3)CC4=CC=C(C=C4)Cl 1 3.057 5 3 0 -16.9436446162553 986888 CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3 1 2.94 3 5 0 -11.3973380839434 986853 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCSC4=NC5=CC=CC=C5O4 1 3.409 6 3 0 -6.19623508028122 986827 CC1=CC(=CC=C1)CN2C3=C(N=C2SCCN4CCCCC4)N(C(=O)NC3=O)C 1 3.903 5 2 0 -9.0810987937786 985284 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3CC=C 1 3.887 5 3 0 -31.1800191568014 984655 COC1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.991 3 6 0 -7.362946390463 984539 C1COCCN1C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 2.368 2 4 -6.55933869311594 984181 CC1=C(C(=NO1)C)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4 1 2.847 5 2 0 -23.5321444369024 983998 COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NN=C4N3C(=CS4)C5=CC=CC=C5)OC 1 4.257 4 3 0 -18.59728912792 1004936 COC1=C(C=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)F)COC3=C(C=CC(=C3)F)[N+](=O)[O-] 1 4.242 3 6 0 -6.19457971855271 982947 CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NCC4=CC=CO4 1 3.336 4 2 -19.5242956880895 982784 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 1 2.777 6 2 0 -23.8430248358777 1003584 CS(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC=CC=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl 1 3.448 3 3 -5.08407292719866 1003571 CC1=C(C(=CC=C1)N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C)C 1 1.648 4 4 0 -24.5473384707868 982497 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 1 3.459 4 3 0 -17.9511801751123 982407 COC1=CC(=C(C=C1)OC)N(CC(=O)N2CCCC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.184 2 7 0 -20.4569487621325 981121 CC(C)CCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C 1 4.719 4 2 -12.3673916935215 980303 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)N 1 2.75 6 1 0 -8.88673159846745 980267 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl 1 4.144 4 2 -12.9253906773408 977094 COC1=C(C=C2C(=C1)CCN3C2=C(CCC3=O)C#N)OC 1 1.534 2 3 0 -12.4750545553876 976869 CC1=CC(=NO1)NC(=O)C2(CCCC2)C3=CC=CC=C3 1 3.208 2 2 -15.7654983834361 976663 CN(C)C1=NC(=NC(=N1)C(=O)NC2=CC=CC=C2)N(C)C 1 0.958 6 1 0 -5.1420747445346 976532 CC1=CC(=NO1)NC(=O)CCOC2=CC=CC=C2 1 1.836 2 3 0 -15.2852024240638 975999 CC1=NN2C(=NC1=O)SCC(=N2)C3=CC=CC=C3 1 2.069 4 1 -6.33117846368789 975915 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NCC3=CC4=C(C=C3)OCO4)C)C 1 4.443 1 4 -1.38247731964919e-002 975766 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NC3=C(C=C(C=C3)OC)OC)C)C 1 4.635 1 4 -1.11787506352743 975703 CC(C)CC1=NN=C(S1)NC(=O)CSC2=NC=NN2 1 1.419 6 1 0 -17.1515631765191 975633 CC(C)N1C2=CC=CC=C2N=C1NCC3=CC=C(C=C3)N(C)C 1 3.901 4 0 -5.49115964655303 975504 CC1=C(C(=NO1)C)CSC2=NC3=CC=CC=C3N2 1 2.894 3 1 -9.23907006358536 975225 CC1=CC(=NO1)NC(=O)C2=NN3C(=CC(=NC3=N2)C)C(F)F 1 1.43 6 2 0 -16.4413458410301 975117 CC1=CN=C(C=C1)NC(=O)COC2=CC3=C(C=C2)OC4=C3CCCC4 1 4.011 2 3 -8.57254250156701 974967 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=CC=CC=C3F 1 2.496 5 1 -8.58256593962252 972495 CC(C)(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=NC=C4 1 3.628 5 0 1.88497769515835 972468 COCC(=O)NC1=NC(=NS1)C2=CC=CC=C2 1 1.176 3 2 0 -1.81530983177006 971706 C1CN(C2=CC=CC=C21)C(=O)CN3C(=O)CSC4=CC=CC=C43 1 2.301 2 2 -15.2706539958787 971476 CN1C2=CC=CC=C2N(C1=O)CC(=O)NC3=CN=CC=C3 1 0.59 4 2 0 -10.9542162659438 971024 C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)C3=CN=CC=C3)N 1 1.999 5 1 0 -2.13160461110255 969879 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCOCC3 1 0.287 3 3 0 -11.0368789459812 969516 COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O 1 3.554 0 6 1.85706583205479 965332 CC1=CC=C(C=C1)NC(=O)C2=C(NC=N2)C(=O)NC 1 0.916 4 2 0 -10.6907325922413 963167 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4 1 2.687 2 3 -12.9784603402608 955836 CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCOCC4)N 1 1.719 4 2 0 -2.02715662720837 955835 CC1=NN2C3=C(C=CC(=C3)N4CCOCC4)N=C2C5=CC=CC=C15 1 2.909 4 1 -2.48239983107614 953983 CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCCCC4)N 1 2.949 4 1 -0.438070504495601 953656 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)N 1 1.453 5 0 0 -3.29851963407956 948582 C1=CC=C(C=C1)/C=C(/C=NNC(=O)CC2=CC(=O)NN2)\Cl 1 0.563 4 2 0 -9.16824067365379 945965 CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CCO 1 0.891 5 3 0 -8.71592348743576 944346 CN1C2=CC=CC=C2N(C1=O)CC(=O)N3CCOCC3 1 5.8e-002 3 3 0 -13.996533928802 942681 C1=CC=C(C=C1)S(=O)(=O)CC2=NC(=O)C3=CC=CC=C3N2 1 1.871 2 3 0 -11.0755094503304 942488 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2S(=O)(=O)CC(=O)N)F 1 2.262 3 3 -11.1740093089536 941650 CN1CCN(CC1)CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C 1 3.533 3 2 -3.48850307820837 941408 C1CCN(CC1)C2=NC(=NC3=CC=CC=C32)N4CCCC4 1 2.91 4 0 4.78775378586051 940979 COC1=CC(=NC(=N1)NC(=O)CS(=O)(=O)C2=CC=CC=C2)OC 1 1.78 3 5 0 -13.5041205227884 940204 CCN1CCN(CC1)C2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)C)C 1 3.036 6 0 3.57119874850478 939179 CC1=CC=C(C=C1)SCC2=CC(=O)N3C(=N2)N=CN3 1 1.411 4 1 0 -3.48124098106888 938793 CC1=NN=C(S1)SCC2=CC(=O)N3C(=N2)N=CN3 1 -0.341 6 1 0 -14.8708637679253 937181 C1=CC2=C3C(=C1)C(=O)N(C3=CC=C2)CC(=O)NC4=CN=CC=C4 1 1.384 3 2 0 -4.74078784994044 936859 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=CN=CC=C3 1 5.1e-002 3 4 0 -4.697406495124 936714 C1CN(CC2=CC=CC=C21)C(=O)CN3C4=CC=CC5=C4C(=CC=C5)C3=O 1 2.822 2 2 -9.30870300251654 935396 C1=CC=C2C=C3C(=CC2=C1)NC(=S)N3 1 3.445 2 0 -2.96837101102913 934729 C1=CC=C(C=C1)N2C=CC=C2C=O 1 2.757 1 1 2.20361131764412 934399 C1CCC(=CC1)CCNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.952 2 4 0 -11.3783498534283 925205 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=NC(=NO2)C3=CC=CC=N3 1 1.878 4 3 0 -2.176755240823 918440 CCC1=CC=C(C=C1)CNC2=CC=C(C=C2)N3CCN(CC3)C(=O)C 1 3.543 3 1 -3.6736382014673 913801 COC1=C(C=CC(=N1)C2=CC=CC=C2)C3=NOC(=N3)C4=CC=CS4 1 4.417 3 2 1.08575234674474 910752 CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC=CC=C2)O 1 1.203 2 4 0 -9.88709969188125 905708 CC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)N)C4=CC=C(C=C4)C 1 4.647 3 1 5.59682278292742 899250 CC(C)CC1=NC(=C2C(=C1)C3=CC=CC=C3OC2=O)NC(=O)C 1 3.116 2 3 -7.98380397629929 899227 CCN1C(=C(C2=C1C=CC(=C2)OCC(=O)OCC)C(=O)OCC)C 1 3.067 1 5 -9.18917793150805 898733 COC1=CC=CC(=C1)NC(=O)C2CCCC2 1 2.604 1 2 0.844562660933655 895419 CC1=CC(=NC=C1)NC(=O)COC2=CC3=C(C=C2)OC4=C3CCCC4 1 4.011 2 3 -5.61129651442707 895408 C1CN(CCN1CCO)CC2=NC(=O)C3=CC=CC=C3N2 1 0.253 4 2 0 -1.58112509714173 894399 CC(C)N1C(=CC=C1C2=CC=C(C=C2)OC)CCC(=O)O 1 3.64 1 3 -5.9164399006932 894226 CC(C)CN1C(=CC=C1C2=CC=CS2)CCC(=O)O 1 4.075 1 2 -11.8891177716865 893785 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(S2)Br 1 1.81 2 3 0 -10.2985394493091 893717 CN1C(=O)C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3F 1 2.765 2 2 -5.65304253301303 893547 CC1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC=CC(=C3C)C)N 1 3.257 6 0 8.9096507010566e-002 893505 CCCC1=NN=C(S1)NC2=NS(=O)(=O)C3=CC=CC=C32 1 2.054 4 2 -9.15652193468378 893376 CCCC1=NC2=CC=CC=C2C3=NC(=NN13)N 1 2.187 5 0 0.598994884395466 892636 CCN1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl 1 2.728 6 0 8.03940868346768 892204 COC1=CC=C(C=C1)C2=NC(=C(O2)NCCC3=CC=CC=C3)C#N 1 3.781 3 2 0.661412699395652 891973 C1=CC=C(C=C1)C2=CC=C(N2C3=CC(=CC=C3)O)CCC(=O)O 1 4.264 1 3 -2.27047376701138 889680 C1CCN(C1)C2=NC=C(C(=N2)N3CCOCC3)Br 1 1.092 4 1 0 2.82052095595146 884997 C1=CC=C(C=C1)N2C(=NC(=N2)NCC3=CC=CO3)N 1 1.79 5 1 0 2.18767781331711 882944 CCC1=C(C(=C(C(=N1)N)C#N)C2=CC=CO2)C 1 2.7 3 1 -2.11504580674881 879244 CC1=CC(=CC=C1)NC2=NC3(CCCCC3)N=C(N2)N 1 2.836 5 0 2.85192815487674 879231 CC1=CC(=C(C=C1)C)NC2=NC3(CCCCC3)N=C(N2)N 1 3.322 5 0 -3.32759741370934e-002 877226 CC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 1.402 3 3 0 -8.91865174943995 877106 CS(=O)(=O)C1=NN=CN1C2=CC=CC=C2 1 1.044 3 2 0 -8.05974129686068 876594 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CCCC4 1 2.705 5 0 8.28257326150355 873594 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC(=CC=C2)OC 1 0.849 3 4 0 -12.9860277080434 871965 CCSC1=NN=C(S1)NC(=O)C2=CC=CO2 1 1.916 3 2 0 -13.7927304139382 869095 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC(C)C 1 3.871 2 3 -10.6422161763888 867947 CC1=NN(C(=C1)NC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N 1 3.138 4 1 -3.45820434601853 866989 CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=CC=C2Cl 1 3.042 2 2 -10.4326232563509 866935 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=C(O2)Br 1 1.314 3 3 0 -6.93397712802875 866921 COC1=CC=CC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.302 3 4 0 -20.3804963708681 866920 COC1=CC=CC=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.302 3 4 0 -19.9919441554088 866912 COC1=CC=CC(=C1OC)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.285 3 5 0 -21.5228394878621 866866 C1COCCN1C(=O)CSC2=NN=C(O2)C3=CC=C(S3)Cl 1 1.578 3 3 0 -14.6293888304811 866523 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CN=CC=C4 1 2.471 6 0 3.50261350702351 866516 C1CCCC(CC1)NC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 3.866 5 0 0.105439119338118 866501 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N(C)C4CCCCC4 1 4.102 5 0 2.61563632546115 854019 CN1[C@@H](CCC1=O)C2=CN=CC=C2 1 0.296 2 1 0 -3.67897559148597 852492 C1=CC=C2C(=C1)N=CN2C3=CC=CC=N3 1 2.516 3 0 0.244250398730651 851595 C1CSC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.754 3 1 -10.7578690588102 851212 CCOC1=CC=CC=C1CN2C3=C(C=CC(=C3)C)OC2=O 1 3.948 1 3 -1.46542035304596 851157 CNC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)OC 1 0.413 4 3 0 -11.1036988013854 848720 C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CC=CC=N4 1 2.691 5 0 -5.34880231263478 832830 CCOC(=O)CN1C2=CC=CC=C2N=C(C1=O)C3=CC=CC=C3N 1 2.022 3 3 -9.69219575556483 42601389 CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C 1 1.246 5 6 0 -22.6038328505509 42601387 C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NC3CC[NH2+]CC3 1 -1.028 5 4 0 -15.399043142685 42601385 C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C 1 0.666 5 6 0 -22.5014702108527 42601383 CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCCCCC[NH3+] 1 1.124 5 4 0 -22.1116406827134 42601381 C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)C3=C(NC=N3)C(=O)NCCCCC[NH3+] 1 1.448 5 4 0 -18.8407080356349 42601379 CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CC[NH2+]CC3 1 -7.2e-002 5 4 0 -17.0426779594138 42601377 CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)C1=C(N=CN1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C 1 -1.07 6 6 0 -19.5750337206816 42601375 CC(C)(C)OC(=O)CNC(=O)C1=C(N=CN1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C 1 -0.47 5 6 0 -25.0864252269802 42601373 C1=CC=C(C=C1)COC(=O)CNC(=O)C2=C(N=CN2)C(=O)NCCCCC[NH3+] 1 -0.592 5 4 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CCCCNC1=C(N=C2N1C=CC(=C2)C)C3=CC(=C(C=C3)C4=CC=C(C=C4)C(=O)C)OC 1 5.922 3 2 -6.4704661069825 42601087 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC(=CC=C5)Cl)C 1 3.347 2 5 0 -3.06556159269991 42601086 CC1=CC=C(C=C1)CN2C(=O)C(NC3=C2C(=NC=N3)N4CCN(CC4)C5=CC=CC=C5)CC(C)C 1 4.907 6 1 0 -2.26884421060616 42601085 CCCCNC1=C(N=C2N1C=CC(=C2)C)C3=CC=C(C=C3)SC4=CC=C(C=C4)OC 1 6.782 3 1 -0.721270283126358 42601084 CCCCCCSC1=C(C=CC(=C1)C2=C(N3C=C(C=CC3=N2)C)NCCCC)OC 1 7.446 3 1 -5.45557490152299 42601083 CC1=CN2C(=NC(=C2NCC3=CC=CC=C3)C4=CC(=CC=C4)SC5CCCCC5)C=C1 1 7.335 3 0 5.10829357550447 42601082 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]3(CCCCN3[C@@H]2C4=CC(=C(C=C4)C5=CC(=C(C=C5)Cl)Cl)OC)C(=O)OC 1 4.707 2 5 0 3.52852305872463 42601081 CCC(C)SC1=C(C=C(C=C1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)CC)[C@]4(N2CCCC4)C(=O)OC)OC 1 3.652 2 5 0 -5.45196136445962 42601080 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)F)C)C=C(C=C3)Br 1 3.637 2 5 0 -4.39901044272434 42601079 C[C@]12[C@@H]([C@H]3COC4=CC=CC=C4[C@H]3N1C(=O)N(C2=O)C5=CC=C(C=C5)Cl)C6=CC=CC=C6 1 4.805 2 3 -3.62788833074683e-002 42601078 CCCCNC1=C(N=C2N1C=CN=C2)C3=CC(=C(C=C3)OC)SC4=CC=C(C=C4)OC 1 5.128 4 2 1.0218973865947 42601077 C[C@@]1([C@@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)C4=CC=C(C=C4)OC)C(=O)N(C2=O)C)C(=O)OC 1 1.925 2 5 0 2.82243079652353 42601076 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C)C)C=C(C=C3)Br 1 3.918 2 5 0 -5.11088746818958 42601075 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C(F)(F)F)C)C=CC(=C3)OC 1 3.609 2 6 0 -3.54410258062258 42601074 CC1=CN2C(=NC(=C2NCC3=CC=CC=C3)C4=CC(=C(C=C4)C5=CC(=CC=C5)Cl)OC)C=C1 1 7.101 3 1 7.1884446110693 42601073 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=CC=C5)C)C=CC(=C3)OC 1 2.667 2 6 0 -7.40117266309711 42601072 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=CC(=C5)C)C)C=C(C=C3)Br 1 3.918 2 5 0 -3.36696258781884 42601071 CCCCCCSC1=CC=C(C=C1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)CC)[C@]4(N2CCCC4)C(=O)OC 1 4.659 2 4 -1.31955306864777 42601070 C[C@@]12[C@@H]([C@H]3COC4=CC=CC=C4[C@@H]3N1C(=O)N(C2=O)C5=CC(=CC=C5)F)C6=CC=CC=C6 1 4.346 2 3 -0.221370054623934 42601069 C1=CC=C(C=C1)CNC2=C(N=C3N2C=CC=C3)C4=CC=C(C=C4)C5=CC(=CC=C5)Cl 1 6.631 3 0 6.63270698558384 42601068 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)Br)C)C=C(C=C3)Br 1 4.18 2 5 0 -5.93720641040714 42601067 CCCCCCSC1=C(C=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)CC)[C@]4(N2CCCC4)C(=O)OC)OC 1 4.643 2 5 0 -6.29863044732087 42601066 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)Br)C)C=CC(=C3)OC 1 3.415 2 6 0 -6.7745305224695 42601065 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C(F)(F)F)C)C=C(C=C3)Br 1 4.374 2 5 0 -1.51512058085729 42601064 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]3(CCCCN3[C@@H]2C4=CC(=C(C=C4)C5=CC=C(C=C5)F)OC)C(=O)OC 1 3.584 2 5 0 2.0571515399648 42601063 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC(=CS4)C(=O)C)(CC5=CC=CC=C5)C(=O)OC 1 3.54 2 5 0 -1.04850073159118 42601062 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC(=CC=C5)F)C 1 2.888 2 5 0 -5.2775603704207 42601061 CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@]3(CCCCN3[C@@H]2C4=CC(=C(C=C4)C5=CC(=CS5)C(=O)C)OC)C(=O)OC 1 3.072 2 6 0 -4.66587948006853 42601060 CCCCCCSC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)Cl)NC4CCCCC4 1 8.17 3 0 -2.29037825495759 42601059 CCCCNC1=C(N=C2N1C=CC(=C2)C)C3=CC(=C(C=C3)OC)SC(C)CC 1 6.455 3 1 -6.99284391922596 42601058 CCC(C)SC1=CC=CC(=C1)C2=C(N3C=CC(=CC3=N2)C)NC4CCCCC4 1 7.001 3 0 -3.84169639391632 42601057 CCCCCCSC1=CC=C(C=C1)C2=C(N3C=CN=CC3=N2)NCCCC 1 5.826 4 0 -1.87770336086149 42601056 CCN(CC)CCCNC1=N[C@H](C(=C(N1CC2=CC=CC=C2)C)C(=O)OC)C3=CC(=CC=C3)F 1 4.219 4 2 -6.90858779866603 42601055 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=CC=C5)C)C=C(C=C3)Br 1 3.431 2 5 0 -5.37219066333182 42601054 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)F)C)C=C(C=C3)Br 1 3.637 2 5 0 -4.39901044272434 42601053 CCC(C)SC1=CC=CC(=C1)C2=C(N3C=CC=CC3=N2)NCC4=CC=CC=C4 1 6.24 3 0 -2.35387226073259 42601052 CN1C(=O)[C@H]2[C@@H](C1=O)[C@@]3(CCCCN3[C@@H]2C4=CC=C(C=C4)C5=CC=C(C=C5)F)C(=O)OC 1 3.252 2 4 6.23701289788483 42601051 CCCCCCSC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)CC)[C@]4(N2CCCC4)C(=O)OC 1 4.659 2 4 -1.31955306864777 42601050 CCC1C(=O)N(C2=C(N1)N=CN=C2N3CCN(CC3)C4=CC=CC=N4)CC5=CC=C(C=C5)Br 1 3.85 7 1 0 -0.400646776915151 42601049 CCC(C)SC1=CC=C(C=C1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)C)[C@](N2)(C)C(=O)OC 1 2.215 2 4 -2.16409816127544 42601048 C[C@H]1CN=C(N1C[C@H](CC(C)C)NC(=O)CC23CC4CC(C2)CC(C4)C3)N 1 3.218 4 1 -12.0304904148933 42601047 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=CC(=C5)C)C 1 3.169 2 5 0 -5.12809933162345 42601046 C[C@@]12[C@@H]([C@H]3COC4=CC=CC=C4[C@H]3N1C(=O)N(C2=O)C5=CC=C(C=C5)OC)C6=CC=CC=C6 1 4.124 2 4 -2.27124378303843 42601045 CCCCNC1=C(N=C2N1C=CC=C2)C3=CC(=C(C=C3)C4=CC(=CS4)C(=O)C)OC 1 5.389 3 2 -6.55357793212794 42601044 CCC(C)SC1=CC=CC(=C1)C2=C(N3C=CN=CC3=N2)NC4CCCCC4 1 5.364 4 0 -1.45422317138424 42601043 CN1C(=O)[C@H]2[C@@H](C1=O)[C@@]3(CCCCN3[C@@H]2C4=CC=C(C=C4)C5=CC6=C(C=C5)OCO6)C(=O)OC 1 2.814 2 6 0 5.69223159937244 42601042 COC1=CC=C(C=C1)C2=CC(=CC=C2)C3=C(N4C=C(C=CC4=N3)Cl)NC5CCCCC5 1 6.889 3 1 3.93221300041852 42601041 CCC(C)SC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C)[C@]4(N2CCC4)C(=O)OC 1 2.863 2 4 1.36287061171909 42601040 CC1C(=O)N(C2=C(N1)N=CN=C2N3CCN(CC3)C4=CC=CC=C4)CC5=CC=C(C=C5)OC 1 3.173 6 2 0 0.7409504047279 42601039 CN1C(=O)[C@H]2[C@@H](C1=O)[C@@]3(CCCN3[C@@H]2C4=CC(=C(C=C4)C5=CC(=C(C=C5)Cl)Cl)OC)C(=O)OC 1 3.902 2 5 0 6.02949263540404 42601038 CC(C)(C)C1CCC(CC1)CN[C@@H](CCSC)CN[C@@H](CC2=CC=CC3=CC=CC=C32)CNC 1 5.891 3 0 -3.32202488749912 42601037 CC1=NC2=C(N1CCNC3=NC(=CS3)C4=CC=C(C=C4)OC)C=CC(=C2)C(F)(F)F 1 4.667 4 1 7.74088172481314 42601036 CCCCNC1=C(N=C2N1C=C(C=C2)Cl)C3=CC(=C(C=C3)OC)SC4CCCCC4 1 7.242 3 1 -8.07239570432771e-002 42601035 CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC(=CC=C4)SC5CCCCC5)C=C1 1 7.609 3 0 4.40843496343822 42601034 CCC1C(=O)N(C2=C(N1)N=CN=C2N3CCOCC3)CC4=CC=C(C=C4)Cl 1 2.436 5 2 0 -2.83231634269669 42601033 COC1=CC=C(C=C1)C2=C(C=CC(=C2)C3=C(N4C=CC=CC4=N3)NCC5=CC=CC=C5)OC 1 5.934 3 2 -8.65745761469622e-002 42601032 CCCCCCSC1=CC=C(C=C1)C2=C(N3C=CC(=CC3=N2)C)NC4CCCCC4 1 7.992 3 0 -4.45466519196118 42601031 CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@H](CC(C)C)NC(=O)CC2=CC=CC=C2 1 2.862 3 3 -18.6589739743758 42601030 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC(=CC=C5)F)C)C=CC(=C3)OC 1 2.872 2 6 0 -5.54540562638138 42601029 C[C@]12[C@@H]([C@H]3COC4=CC=CC=C4[C@H]3N1C(=O)N(C2=O)C5=CC(=CC=C5)F)C6=CC=CC=C6 1 4.346 2 3 -0.221370054623934 42601028 CC1=CC=C(C=C1)CN2C(=O)C(NC3=C2C(=NC=N3)N4CCOCC4)CC(C)C 1 2.966 5 2 0 -7.00756821519406 42601027 COC1=C(C=C(C=C1)C2=C(N3C=CN=CC3=N2)NC4CCCCC4)C5=CC(=CC=C5)Cl 1 5.739 4 1 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1 2.659 3 3 2.35182390652367 666358 COC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NCCN4CCOCC4)C5=CC=C(C=C5)OC 1 4.023 4 4 0 3.97904271789064 666357 CN1C2=C(C(C(=O)N2)CC(=O)NC3=CC=CC=C3)C(=O)N(C1=O)C 1 -0.173 4 4 0 -18.7934556221072 666356 C1OC2=CC=CC=C2OCP1(=O)NCC3=CC=CO3 1 1.352 1 4 0 -3.10907851394829 666354 CC1=CC(=NC(=N1)NC(=NC(=O)C2=CC=CO2)NC3=C(C=CC(=C3)OC)OC)C 1 2.901 5 4 0 -9.12183551716763 666353 C1=CC=NC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)C#N 1 5.389 5 0 -6.07496668451529 666352 CC1=CC=C(C=C1)S(=O)(=O)CC2CSC3=NN=C(C(=O)N23)C 1 2.265 3 3 -11.5799044908371 666351 CCCN(CC1=CC2=C(C=CC(=C2)C)NC1=O)S(=O)(=O)C 1 1.695 2 3 0 -9.64929145684064 666349 C1COCC2=NC3=C(N21)C=CC(=C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CC=C6 1 2.877 5 3 0 -11.1938426687356 666348 CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2=NN=C(O2)SCC(=O)O 1 2.704 3 5 0 -19.9267450964432 666347 CCC(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC=C(C=C3)OC 1 3.497 2 3 -0.266026828523185 666346 CC1=CC2=C(C=C1)N(C(=C2NC(=O)CN3CCN(CC3)C(=O)C4=CC=CO4)C(=O)OC)C 1 2.365 4 5 0 -6.60676116186758 666345 CC(C)[C@@H](C(=O)NCC1CCC(CC1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2 1 3.592 4 4 0 -25.1402023258144 666344 COC1=CC=CC=C1C2=NOC(=N2)C3=CC(=C(C(=C3)OC)OC)OC 1 3.079 2 5 0 -1.12039547650881 666343 COC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3=CN=CC=C3)OC 1 1.304 4 4 0 -16.6621055941555 666342 CCC(C)N=C1SCC(S1)(C)C=NO 1 3.127 2 1 -1.65893181383696 666341 COC1=CC=CC=C1OC2=C(C=C(C(=C2)C#N)C#N)N3C4=CC=CC=C4N=N3 1 4.519 5 2 0 -5.65587303821421 666340 CC1=CC=C(C=C1)C2CC3=NC(=NC=C3C(=O)C2)N4CCN(CC4)C5=CC=CC=C5 1 4.042 4 1 -3.01104338275537 666339 C1CCC2C3(CC4=C(N2CC1)N=C5C=CC=CN5C4=O)C(=O)NC(=O)N(C3=O)CC6=CC=CC=C6 1 2.419 5 4 0 -13.3416448745882 666338 C1CSC(C(=O)N1)CC(=O)NC2=CC(=CC=C2)Cl 1 1.358 2 2 0 -14.5203521412579 666337 C1=CC=C2C(=C1)N=NN2CC3=NN=C4N3N=C(S4)C5=CC=NC=C5 1 1.89 8 0 0 -9.22445754342326 666336 CCCCN1C(=NN=N1)NCC2=C(C(=C(C=C2)OC)OC)OC 1 1.881 5 3 0 -21.1938487125353 666333 CCC1=NC2=C(C(=O)C3=CC=CC=C3S2)C(=O)N1CC4=CC=CO4 1 3.225 2 3 -3.18037188249794 666332 COCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCN4C=CN=C4)N 1 0.68 7 2 0 -14.7620106241607 666331 CC(C)CCN1CCNC(=O)C1CC(=O)NC2=CC=C(C=C2)F 1 2.004 3 2 -30.859231726312 666319 C1=CC=C(C=C1)NC(=O)N[N+]2=CN(N=C2)CC(=NO)C#N.[Cl-] Cl- 1 0.976 7 2 0 -3.53119325882716 666318 C1=CC=C(C=C1)CCC2=NN3C(=NN=C3S2)CN4C5=CC=CC=C5N=N4 1 3.532 7 0 0 -10.9853222773922 666317 COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)C3=CC=CO3 1 2.491 2 5 0 1.56444740673824 666316 CC1=CC(=NC2=NN3C(=CC(=NC3=C12)C)NCCCN4CCOCC4)C 1 1.772 6 1 0 -8.92358197827768 666313 CC1(OC(=O)C2(CC3=C(C=CC4=CC=CC=C34)N(C2)C)C(=O)O1)C 1 2.68 1 4 -1.31396477483104 666312 C1=CC2=C(C(=C1)Cl)N=C(S2)NC(=O)C3=CC=C(O3)Br 1 3.867 2 2 -4.05201477979669 666311 CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OC)C(=O)N1CCCN4C=CN=C4 1 0.879 5 3 0 -10.3364169732529 666310 CC(C)OCCCNC(=O)CCC1=NC(=NO1)C2=CC=CC=C2 1 1.562 3 3 0 -15.8330261969978 666309 C1CN(CCN1CC2=CC=CC=C2)CC3=NC(=NC(=N3)NC4=CC5=C(C=C4)OCCO5)N 1 2.442 7 2 0 -1.75869444318018 666307 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O)O 1 1.918 1 5 0 -19.5315807995608 666304 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(C)C(=O)C 1 3.328 0 4 -8.97616705824665 666302 CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C 1 3.397 7 2 0 0.273972997442524 666301 COC1=CC=C(C=C1)N2C(=NN=N2)SCC#CCO 1 1.835 4 2 0 -12.6801691042813 666300 C1CN(CCC1C(=O)N)CC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42 1 2.814 3 2 -3.74028349620768 666299 CCOC(=O)C1=C(C2=CC3=C(CC(OC3)(C)C)N=C2O1)N 1 1.534 2 4 0 -9.31774674336868 666298 CCN1CCN(CC1)CC2=CC(=O)OC3=CC4=C(CCC4)C=C23 1 3.296 2 2 -5.5345442062534 666297 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCOC)CC=C 1 0.264 5 3 0 -20.1865364485454 666296 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)C(=O)N)CC4=C(C=CC=C4Cl)F 1 2.094 6 3 0 -13.1731961443088 666295 C1=CC(=CC=C1SCC(=O)NN2C=NN=C2)Cl 1 1.291 4 1 0 -4.16734831515473 666294 COC1=CC=CC(=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)NCC4CCCO4 1 2.971 4 3 0 -16.1988678286492 666293 CC1=CC2=C(C=C1)N(CC3(C2)C(=O)NC(=O)N(C3=O)C4=CC=CC=C4OC)C 1 3.002 3 4 0 -5.10001323539136 666291 CC1=CC2=C(C=C1)N(CC3(C2)C(=O)OC4(CCCCC4)OC3=O)C 1 3.649 1 4 -3.0414575449961 666290 C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=C(C=CC(=C5)F)NC4=O)NC3CC6=CC=C(C=C6)O 1 2.619 3 4 0 4.21459250689672 666289 CCN1CCC2=C(C1)SC3=C2C(=NC4=NN=NN34)NCC5=CC=CO5 1 1.512 7 1 0 -12.5266021284461 666288 C1COCCN1CCCNC2=NC3=CC=CC=C3N2 1 1.112 4 1 0 0.127892777101014 666287 CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC=C4C)C(=O)N(C(=O)N3C)C 1 2.445 6 4 0 -16.7981315904329 666286 CCCC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C4=CC=CC=N4)C)C5=CC=CC=C5 1 5.029 6 0 -0.514052805639807 666285 CC1=CC=C(C=C1)SC2=NC3=C(N2CCOC)C(=O)NC(=O)N3C 1 2.709 4 3 0 -8.4958524198574 666284 CC1=C(OC2=CC=CC=C12)C3=NC(=NC(=N3)NC4=CC=CC=C4)N 1 3.855 5 1 2.83476320090882 666283 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)C(=O)N)CCCC4=CC=CC=C4 1 2.002 6 3 0 -13.5178871841354 666281 CN1CC2(CC3=C1C=CC4=CC=CC=C34)C(=O)N(C(=O)N(C2=O)C)C 1 2.07 3 3 -2.18907112757848 666280 CN1CCN(CC1)CC2=CC(=O)OC3=CC4=C(CCC4)C=C23 1 2.947 2 2 -3.27314098899589 666278 COC1=C(C=C(C=C1)CCNC(=O)C2=NN=C(O2)CC3=C(C=CC=C3Cl)F)OC 1 3.52 3 4 0 -15.0964960334152 666277 C1COCC2=NC3=C(N21)C=CC(=C3)NC(=O)C4=CC=CO4 1 1.547 3 3 0 -4.73030735947774 666276 CCCCCCC1=C(C=C(C=C1)OCC(=O)O)OCC(=O)O 1 3.527 0 6 -10.0223047837901 666274 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NS(=O)(=O)C3=C(C=C(C=C3)OC)OC 1 3.057 2 7 0 -6.23674374272339 666273 COC1=CC=CC=C1C2=NOC(=N2)C3=CN=CC=C3 1 1.978 3 2 0 0.134931587902945 666271 CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)N(C3=O)C)C 1 0.866 8 2 0 -18.9804428458317 666270 C1CC2=NC(=NC=C2C(=O)C1)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 3.796 4 1 -5.91277652130336 666269 COC1=CC=C(C=C1)NC2C(=O)N(C(=O)S2)CC(=O)O 1 1.592 2 5 0 -13.683804259482 666268 CCOC1=C(C(=CC(=C1)C2=NOC(=N2)CCCC(=O)N)Br)OC 1 2.219 3 4 0 -6.18923456380125 666267 CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.789 6 2 0 -6.50871776032619 666266 CC(C)C1=C2COC(CC2=C3C4=C(C(=NC=N4)OC)OC3=N1)(C)C 1 3.427 3 3 -6.41158606070363 666265 C1CCC2(CC1)C(=O)NC3N2C(=O)C4=CC=CC=C34 1 2.003 2 2 -5.41487948672944 666264 CC([C@@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC=C2)O 1 1.738 2 6 0 -18.4186251394046 666263 CC1=NN2C=NC3=C(C2=N1)C(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5 1 3.784 4 1 -1.44707873763939 666262 CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2F)C3=NC4=CC=CC=C4N3 1 3.51 5 1 -5.44983918195907 666261 CC1=CN2C(=NC3=C(C2=O)C=C(N3C)C(=O)NCC4CCCO4)C=C1 1 1.066 4 3 0 -20.3546426945095 666260 CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC)CC3=CC=CS3 1 3.349 4 3 0 -22.4463977279141 666259 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)N=C1CCN4CCN(CC4)C5=CC=CC=C5 1 3.875 5 2 0 2.45945951899971 666258 COC1=CC(=CC(=C1OC)OC)C2NC(=O)C3=CC=CC=C3O2 1 2.574 1 5 -5.39496506377715 666256 CCN1C(C2(CC3=C1N=C4C(=CC=CN4C3=O)C)C(=O)N(C(=O)N(C2=O)C)C)C 1 0.812 5 4 0 -15.9451526130329 666255 COC1=CC2=C(C=C1)N3CN(CN(C3=N2)CC4=CC=CC=C4)CC5CCCO5 1 3.483 4 2 -6.79793944762694 666253 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C3=NC(=NO3)C4=CC=CC=N4 1 3.634 4 2 5.80418508405159 666252 CC(COC)NC(=O)C1CC(=NO1)C2=CC(=CC=C2)Br 1 1.8 2 3 0 -7.09464459652065 666251 CCN1CCN(CC1)C2=NC=NC3=C2OC4=NC(=C5CCCC5=C34)C(C)C 1 3.888 5 1 2.98818967742404 666250 CC1=CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC(=C(C=C3)Cl)Cl)C(=O)N1C 1 2.397 2 4 -14.838230769818 666249 C1C(OC2=CC=CC=C2O1)C3=NN=C4N3N=C(S4)C5=CC=C(C=C5)Cl 1 3.815 4 2 2.36246935756953 666248 CC(C)C(=O)N=C1N(C2CS(=O)(=O)CC2S1)C3=CC=CC(=C3)C(=O)C 1 2.564 2 4 -16.033954354813 666247 CC(=O)NC1=CC=CC=C1OCC2CC(=NO2)C3=CC(=C(C=C3)OC)OC 1 2.359 2 5 0 -9.17098637551499 666246 CCOC(=O)CC(=O)NC1=NN=C(S1)C(C)C 1 1.199 3 3 0 -11.9731144552004 666245 CCCC1=CC(=O)N2C(=N1)N=C(N2)NCC3=CC=CS3 1 1.461 5 1 0 -6.8801703592434 666244 CC1=CC=C(C=C1)C2CC(=O)N3CN(CSC3=C2C#N)CC4=CC=CO4 1 3.425 3 2 -9.61080912253114 666243 CN1C2=CC=CC=C2C3=C1C(=O)N(C=N3)CCCN4CCOCC4 1 1.636 4 2 0 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665175 CCC(C(=O)N1CCC2(CCCCC2C1)O)NS(=O)(=O)C3=CC=C(C=C3)C 1 2.195 2 4 -14.7989891732797 665167 C[N+]1=C2N(CC1)C(=CS2)CN3C(=O)C4=CC=CC=C4C3=O.[I-] I- 1 1.029 3 2 0 -6.22969850244102 665161 CCOC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CC(=O)OCC 1 2.066 3 4 0 -17.0173608384841 665160 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3 1 3.319 5 1 -13.6552135176127 665159 CCOC(=O)NC1=NN=C(S1)C2=CC(=C(C=C2)OC)OC 1 2.308 3 4 0 -11.098843755981 665158 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=NC=C(C=C4N3)Br 1 2.626 4 3 0 -11.887399250508 665156 C1=CC=NC(=C1)C2=NNC(=C2)C(=O)O 1 1.419 3 2 0 0.52067072564756 665155 C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5F 1 4.098 2 3 -5.99461030232908 665154 CC1=C2C(=CC=C1)NC(=C2NC(=O)CN3CCN(CC3)C(=O)C4=CC=CO4)C(=O)OC 1 2.159 4 5 0 -8.78455163513826 665153 CC(C)(C)OC(=O)N[C@@H](CCSC)C1=NN=C(O1)SCC2=CC=C(C=C2)F 1 3.783 3 3 -21.3348749400306 665152 CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=NC=C3)[O-] 1 1.121 3 4 0 -3.72059093803184 665150 C=CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)COC4=CC=CC=C4 1 3.282 4 4 0 -22.6258442159304 665149 CC1=C2C(=CC=C1)NC3=C2N=CN(C3=O)CCN4CCNCC4 1 1.587 5 1 0 -8.49463660468412 665148 CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)COC2=CC=CC=C2 1 3.988 3 2 -18.4956935119545 665146 C1=CC=C(C=C1)CCCS(=O)(=O)C2=NC(=NN2)N 1 1.793 4 2 0 -6.63997333372415 665145 CCN1C2=C(C=C(C=C2)Br)C(C1=O)NC(=O)C 1 1.202 2 2 0 -3.7911804138887 665144 CC1=CC=C(C=C1)S(=O)(=O)CC2=CN3C=CC=NC3=N2 1 1.996 3 2 0 -7.61875965437619 665143 COC(=O)[C@@H]1CSCN1C(=O)NC2=CC=CC=C2C(=O)OC 1 1.264 2 5 0 -11.5705252496915 665142 CSC1=NC2=C(C(=N1)N(CCO)CCO)SC3=NC(=C4CCCC4=C23)C5=CC=CO5 1 4.054 4 3 0 -1.39285695818487 665126 CCOC1=CC=C(C=C1)N(CC2=CC3=C(C=C(C=C3)C)NC2=O)C(=O)COC 1 2.677 2 4 -10.0957453695442 665125 CC1=CC(=CC=C1)N(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C(=O)C4CCCO4 1 2.925 2 4 -14.8409891414539 665124 CC(C)COC(=O)NC1=NN=C(S1)C2=CC=CC=C2OC 1 3.168 3 3 -9.8927200153218 665123 CCOC(=O)CN1C(C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)F 1 0.973 1 5 0 -18.164670747687 665121 CC1(CC2=C(CO1)SC3=C2C(=N)N(C(=O)N3CC(=O)NC4=CC(=CC=C4)Cl)CC5=CC=CO5)C 1 3.422 4 4 0 -18.1855872827559 665120 CC1(CC2=C(CO1)C3=NN=CN3C(=N2)C4=CC=CC=C4)C 1 2.22 4 1 -4.2988132381735 665119 CCCCN1C(=O)C2(CC3=C(C=CC(=C3)C)N(C2)C)C(=O)NC1=O 1 2.771 3 3 -5.15746261239914 665118 C=CCN1C(=NN=C1SCC(=O)O)C2=CC(=CC=C2)Cl 1 3.171 3 2 -10.7343211624501 665117 CC1CCC(C(=O)N1)C(=O)NC2=CC=C(C=C2)C(=O)C 1 0.963 2 3 0 -10.2323057590976 665116 CN(C)C=NC1=NC=C2C3=CC=CC=C3N(C2=C1C#N)CC4=CC=CC=C4 1 3.888 5 0 -3.84430107575671 665115 C1=CC=C(C=C1)C2=NNC3=CC=CC=C3C2=O 1 3.149 2 1 -4.92699975523764 665114 CC1=CC2=NC3=C(C=C2C=C1)C(=NN3C)NC(=O)C4=CN=CC=C4 1 2.724 5 1 -4.70234009007605 665113 CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C)C(=O)C3CCCO3 1 1.364 2 3 0 -15.3612702145022 665112 CC(C)N(CC1=CC2=CC=CC=C2NC1=O)C(=O)C(C)(C)C 1 2.818 2 2 -10.3064402654428 665111 C1CC(OC1)CNC2=NC=C3C(=N2)CC(CC3=O)C4=CC=CO4 1 1.264 3 3 0 -19.3580177553473 665110 CC1=CC2=C(N=C(N=C2O1)C)C3=CN(N=C3)C4=CC=CC=C4 1 2.828 4 1 5.626529565929 665108 C1CC1C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 2.328 1 3 -7.15350787284499 665107 CCCC(=O)NC1=NN=C(S1)CC(=O)OCC 1 1.193 3 3 0 -20.2200275034488 665106 CN1C(=O)CC(=NC2=C1C=C(C=C2)OC)C3=CC=CC=C3 1 2.731 2 2 -0.599148740398452 665105 CCOC1=CC=C(C=C1)N2CC(=O)N=C2NC3=NC(=CC(=N3)C)C 1 2.099 5 2 0 -7.71307337737994 665104 CCCN(CCC)C1=NC2=CC=CC=C2N=C1C(C#N)C(=O)OCCOC 1 3.163 4 3 0 -10.2498449662916 665103 COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCC(CC3)(C(=O)N)N4CCCCC4 1 1.348 5 4 0 -8.75780649944355 665102 CCN1C(=NN=C1SCC(=O)C(C)(C)C)COC2=CC=CC=C2 1 3.72 3 2 -15.4120286105693 665101 CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3CCCCC3)C(=O)C4CCCO4 1 3.223 2 3 -15.8437323803903 665098 CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)COC3=CC=C(C=C3)Cl 1 4.719 4 1 -9.99032431075112 665097 CCOC1=CC=CC=C1C(=O)N(C)CC2=CC3=CC=CC=C3NC2=O 1 2.542 2 3 -11.4017231195709 665096 CCN(CC)C(=O)CSC1=NC2=NC=C(C=C2N1)Br 1 2.185 4 1 -13.3466647667983 665095 CC1=NN2C(=N1)C3=C(N4C2=NN=C4SCC(=O)NCC5=CC=CO5)SC6=C3CC(OC6)(C)C 1 2.63 7 3 0 -30.5981149383285 665094 CC(C)(C)OC(=O)N[C@@H](CCSC)C1=NN=C(O1)SCC2=CC=CC=C2 1 3.577 3 3 -22.8615668702754 665093 COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)C3=CC(=C(C=C3)O)O 1 3.78 3 4 0 -6.07994028198467 665091 C1CN(CCN1C2=CC=CC=N2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)N6CCOCC6 1 2.526 8 1 0 2.54365796984126 665090 CCN1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NC(=O)C4=CC=CC=N4 1 3.501 5 1 -6.07109458953758 665089 CC1=CC(=NC(=N1)C)SCC(=O)C2=CC=CC=C2 1 2.626 2 1 -6.89775003225557 665088 CC1=CC2=C(C=C1)NC(=O)C(=C2)COC(=O)C3=CC=CC=N3 1 2.415 2 3 -9.2699088909878 665087 CCOC(=O)C1CCN(CC1)C(=O)CNC(=O)OC(C)(C)C 1 0.89 2 5 0 -15.978828645585 665086 C1CCC(CC1)N(CC2=CC3=CC=CC=C3NC2=O)C(=O)C4=CC=CC=N4 1 3.346 3 2 -9.97380240971867 665085 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC3=NNN=N3 1 2.593 4 3 0 -9.78967489555488 665084 C1=COC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CC=C(O4)Br 1 3.413 3 3 -0.288535457003212 665083 C1CC(C(=O)NC1)C(=O)N2CCN(CC2)C(=O)C3CCCNC3=O 1 -1.412 4 4 0 -17.0440381742799 665082 C1CCC(CC1)N2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C=CN4[C@@H]3C(=O)NC6=CC7=C(C=C6)OCO7 1 2.892 3 5 0 -7.73693816639494 665081 CN1C2=CC=CC=C2N=C1C3=CC=C(O3)CN4CCCCC4 1 3.94 3 1 8.45534904161118 665080 CC1=CC(=NC(=N1)SC2=NC(=NC3=C2OC4=CC=CC=C43)C)C 1 3.903 4 1 -9.12853796510272e-002 665079 CCOC(=O)N1CCC2(CCCCC2C1C3=CC=C(C=C3)F)O 1 3.084 1 3 -1.22003028275867 665078 CC(C)N1C2=CC=CC=C2N=C1C3=CC=C(C=C3)N(C)C 1 4.365 3 0 0.159484755081779 665077 CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4C=CN=C4)C#N 1 3.822 5 0 -6.51651074806969 665076 CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=NNN=N3 1 3.683 4 3 0 -11.0323585597762 665075 CC1(CC2=NC(=NC=C2C(=O)C1)NCC3=CC=CO3)C 1 1.66 3 2 0 -11.4139873533314 665074 CCC1=CC2=C(C=C1)N=C(N=C2C)NC3=NCN(CN3)CCCN4CCOCC4 1 2.321 7 1 0 -5.70296957798939 665073 COC(=O)CSC1=NC2=NC=C(C=C2N1)Cl 1 1.845 3 2 0 -8.0036585582221 665072 C1COCCN1CCNC2=NC3=CC=CC=C3NC2=O 1 0.137 4 2 0 -9.97901808072293 665071 CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=CO3)[O-] 1 1.667 2 5 0 -1.92332078943928 665070 CNC(=O)C1=C(N(N=N1)C2=CC=CC=C2)C(=O)NC 1 0.725 5 2 0 -11.4371738275576 665069 CC(C)CN1C2=NC3=CC=CC=C3C=C2C(=N1)NC(=O)C4CCCO4 1 3.249 4 2 -14.431213854714 665068 C1=CC=C(C=C1)CN2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=CC=C4Cl 1 2.854 2 3 -2.65702061537002 665067 CC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CCN4CCCCC4 1 3.083 4 1 -2.44668067465983 665066 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43)OC 1 3.995 3 4 0 -12.3652553863737 665065 CSC1=NC2=C(C(=N1)N3CCN(CC3)CCO)SC4=NC(=C5CCCC5=C24)C6=CC=CO6 1 4.551 5 2 0 3.68352231322083 665064 CCCCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=O)C3=CC=CC=N3 1 2.8 3 3 -12.9517322316891 665063 C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CC=C(O4)Br 1 3.721 3 3 0.870351456408207 665062 CN1C2=C(C=C(C=C2)Br)N=C1C3=CC=C(O3)Br 1 4.188 2 1 4.61880177411726 665060 C1=CC=C(C=C1)CCCS(=O)(=O)C2=NC=NN2 1 2.018 3 2 -9.69092275766843 665059 C1=CC=C2C(=C1)C=C(C(=O)N2)COC(=O)C3=CC=CC=N3 1 1.929 2 3 0 -10.1999464444193 665058 CC1=CC(=CC=C1)OC2=NC3=C(N2CC4=CC(=CC=C4)OC)C(=O)N(C(=O)N3C)C 1 4.055 4 4 0 -11.674185584773 665057 C1CCC(CC1)C(=O)NC2=NN=C(S2)CCN3CCOCC3 1 1.753 4 2 0 -7.00486959350705 665056 CC1=CC=C(O1)C2=NC3=C(N2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O 1 3.42 3 3 0.795198321243698 665055 CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC=CO3 1 2.647 3 2 -3.16496651919005 665054 CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C)C(=O)C3=CC=CC=N3 1 1.974 3 2 0 -10.7070088786709 665052 CCN(CC)C1=CC2=C(C=C1)C(=O)N(C2=O)C 1 1.722 2 2 0 -7.22321092951524 665051 CC1(CC2=NC(=NC=C2C(=O)C1)NCC3CCCO3)C 1 1.253 3 2 0 -15.3163888231812 665050 CN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=O)COC3=CC=CC=C3 1 2.029 2 4 -10.7882751727652 665049 COC1=CC=C(C=C1)N(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C(=O)C4CCCO4 1 2.422 2 5 0 -15.1237862157671 665048 CN1C2=CC(=CN=C2N(C1=O)C)Br 1 1.241 3 1 0 -7.67194568893358 665047 C1CCC2=C(C1)C3=C(S2)N=C(N4C3=NC=N4)NCC5=CC=CO5 1 3.064 5 1 -12.6907743610416 665046 C1C(CO1)(CN2C=CN=C2)CN3C=CN=C3 1 -0.836 4 1 0 1.01252820736931 665045 CC(=O)NCCC(CC1=CC=CC=C1)C2=CC=CO2 1 2.659 1 2 -7.77354401332952 665044 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5 1 3.162 5 3 0 -11.1593606194768 665043 CSC1=NC2=C(C(=N1)NCCOCCO)SC3=NC(=C4CCCC4=C23)C5=CC=CO5 1 4.256 4 3 0 -2.05673528671262 665041 CCC(=O)NCCC(C1=CC=CC=C1OC)C2=CC=CO2 1 2.853 1 3 -15.0582709905625 665040 CCC1(CC2=C(CO1)C=C3C(=C(SC3=N2)C(=O)O)N)C 1 2.041 2 3 -12.2705626586079 665039 COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCC(CC3)(C(=O)N)N4CCCCC4 1 1.331 5 5 0 -7.19732032285069 665038 COC(=O)C1=C(N=CN1CC(COC2=CC=CC=C2)O)C(=O)NCC3=CC=CC=C3 1 2.411 3 5 0 -13.1492021861998 665037 CCCN(CC1=CC2=C(C=C(C=C2)C)NC1=O)C(=O)C3=CC=CC=N3 1 2.846 3 2 -13.0646656967908 665036 COC1=CC(=C(C=C1N2CC34C=CC(O3)C(C4C2=O)C(=O)O)Cl)OC 1 1.161 1 6 0 -2.47968620878122 665034 CCCCOC(=O)NC1=NN=C(S1)C2=CC=CC=C2OC 1 3.304 3 3 -9.78711834903571 665033 CN1C2=CC=CC=C2N=C1C3=CC=C(O3)Br 1 3.439 2 1 3.93035586998271 665032 CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC=CC=C3 1 3.87 4 0 -7.96773317332561 665031 CN1C2=C(C(=O)NC1=O)N3CCCN(C3=N2)CCC4=CC=CC=C4 1 1.563 5 2 0 -6.85598370461473 665030 CC1(CC2=C(CO1)SC3=C2C(=N)N(C(=O)N3CC4=CC=C(C=C4)Cl)CC5=CC=CO5)C 1 4.37 3 3 -13.2061411989613 665029 C1CCC2(CCN(CC2C1)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl)O 1 1.614 2 4 0 -8.77593793444409 665028 C1OC2=C(O1)C=C(C=C2)CN3C=NC4=C(C3=O)C5=NC6=CC=CC=C6N=C5N4C7=CC(=CC=C7)F 1 4.805 5 3 0 -4.679571225354 665025 C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.O H2O 1 0.55 0 6 0 -4.82683708044398 665015 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=NC4=C3C=NN4CC5=CC=CC=C5 1 3.186 5 3 0 -16.983867982879 665014 CC1=CC=C(C=C1)C(=O)CCC2CCCC2=O 1 3.215 0 2 -4.73609495499879 665013 CC(=O)C(C1=C(C(=C(C2=C1OC=C2C(=O)C3=CC=CC=C3)O)O)Cl)C(=O)C 1 3.189 0 6 -1.5338690411775 665012 CC1CC(CN(C1)C2=NC=C3C(=N2)CC(CC3=O)C4=CC=CC=C4Cl)C 1 4.147 3 1 -10.3290930645691 665011 CCCOC1=CC=C(C=C1)C2=NC(=C(O2)N3CCN(CC3)C)C#N 1 3.059 4 2 1.32804004588744 665009 CC(CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)CSC4=NC5=CC=CC=C5S4 1 3.566 6 2 0 -6.43585651847868 665008 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CC1=C(C(=CC=C1)C)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=NC=C5 1 3.715 3 3 -4.3513322869066 662688 COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC3=C2CCCC3)N)C#N 1 3.34 3 3 -5.44485867211079 662687 CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4 1 3.81 5 2 0 -12.3058503165136 662686 CC1=NN2C(=NN=C2SC1)C3=CC=CC=C3Cl 1 2.71 4 0 -2.92496033013503 662685 CCC(=O)C1=C(N(C(=O)NC1=O)C2CCCCCC2)O 1 2.305 2 4 -9.14648450149794 662684 CCC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)[C@H](C(C)CC)NC(=O)OC(C)(C)C 1 4.544 4 4 0 -27.1532991369151 662683 C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=CC=C(C=C3)N 1 2.306 2 2 -0.893757553752548 662682 C[C@@H](C1=NN=C(O1)SCC(=O)NC2=CC=C(C=C2)Br)NC(=O)OC(C)(C)C 1 3.051 4 4 0 -22.4026048871011 662681 COC1=CC=CC(=C1)C2=NN3C(=NN=C3S2)C4=CC=CC=N4 1 2.64 5 1 -0.149072317231196 662679 COC1=C(C=C(C=C1)C2=NN3C(=NN=C3SC2)C4=CC=CC=N4)OC 1 2.965 5 2 0 -4.7186132376715 662678 CC(C#N)ON1C(=O)C2=CC=CC=C2N=C1SC(C)C#N 1 2.512 4 2 -9.04534075662299 662677 C1=CC=C(C=C1)OCC2=NN3C(=NN=C3S2)C4=CC=CO4 1 2.609 4 2 -0.867229208927468 662674 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC(=C(C=C3)OC)OC 1 2.108 4 5 0 -20.338628810048 662673 CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=CS3 1 4.693 3 0 -7.60169478518652 662672 CCCCCCC(=O)N(C1CC(=O)N(C1=O)C2=CC=C(C=C2)Br)O 1 3.322 2 4 -8.46094114451863 662671 CCOC(=O)CNC(=O)CSC1=NC2=C(C(=C(S2)C)C)C(=O)N1C 1 1.77 3 4 0 -26.6123778210281 662670 COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.806 2 6 0 -6.37479339878028 662669 CCN1C2=NC3=CC=CC=C3C=C2C(=N1)NC(=O)C4=CN=CC=C4 1 2.587 5 1 -7.24760697166878 662668 COC1=C(C=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4)OC 1 2.812 3 4 0 -13.3172152702658 662667 C1=CC(=CN=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC(=C(C=C4)Cl)Cl 1 4.607 4 2 -7.30242855428275 662666 C1=CC(=CN=C1)CNS(=O)(=O)C2=CC=C(S2)Br 1 1.528 2 2 0 -4.89684352163389 662665 C1CC2=C(C=CO2)C(=O)C1C(=O)C3=CC=C(C=C3)Br 1 3.454 0 3 -2.74342774753447 662664 CCOC(=O)CON1C(=O)C2=CC=CC=C2N=C1SCC(=O)OCC 1 2.194 2 6 0 -20.3073360312476 662663 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3CCOCC3)CC4=CC=C(C=C4)Cl 1 1.914 6 3 0 -15.3952164932424 662662 CCC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCC3 1 4.114 4 2 -4.1693033843251 662661 CN(C)C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC=CC=C4Cl 1 4.205 5 0 -2.61205051902528 662660 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)OC)C)C 1 2.361 2 3 -19.2248067304874 662659 CC1=CC(=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=NC=C5)C 1 3.715 3 3 -3.19733367554896 662658 COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=N4 1 3.071 5 3 0 -16.8774454686468 662656 CCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC5=C(C=C4)OCO5)N 1 3.231 5 3 0 -17.715019925893 662655 CC1(CC(CC(N1)(C)C)NC(=O)C23CCC(C2(C)C)(C(=NO)C3)C)C 1 1.811 3 2 0 -13.7477525747832 662653 C1=CC(=CN=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)F 1 3.812 4 1 -7.65914893576064 662652 CCCCSC1=NN=C(O1)CCCCCNC(=O)OC(C)(C)C 1 3.993 3 3 -23.4275413607201 662651 CC1=CC=CC(=C1)C2=NN=C3N2N=C(CS3)C4=CC=CC=C4 1 4.206 4 0 -0.147104752703801 662649 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCC3=CN=CC=C3 1 5.8e-002 3 4 0 -11.1027346884943 662648 CC1=CC(=CC=C1)OCC(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 1 2.396 1 4 -15.1527907112328 662646 COC1=CC2=C(C=C1)N(C3=NC4=CC=CC=C4N=C23)CC(=O)OC 1 3.311 3 3 -5.76951914565374 662645 CN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CC=CS3 1 4.815 3 0 -10.0219756958191 662644 CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=C(C=C3)OC)CCCC4=CC=CC=C4 1 3.5 5 3 0 -10.8806739575747 662643 CC(C)(C)C1=NN2C(=NN=C2SC1)C3=CC=CC=N3 1 2.87 5 0 -1.93599923757012 662642 CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)C=NN3C=NN=C3 1 2.509 6 0 -3.8863061939647 662641 CC(C)C(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CO3 1 0.664 3 4 0 -21.5988204105391 662640 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 2.914 2 3 -8.73769674767745 662639 CCOC(=O)CNC(=O)C1(CCCC1)C2=CC=CC=C2 1 2.549 1 3 -13.2031661616298 662638 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3C(C(=O)C4(CCCCC4)C(=O)O3)(C)C 1 3.583 2 4 -12.5042205273326 662636 CC12CC3(CN(C1)C(N(C2)C3)C4=CC=CS4)C 1 2.838 2 0 -4.6489652090017 662625 CN1N=C(N=N1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 2.72 5 1 -11.4780424215303 662624 C1CCC(CC1)C2=NN=C3N2N=C(CS3)C4=CC5=C(C=C4)OCO5 1 3.95 4 2 -3.14016578981692 662623 CC1=CC=CC=C1OCC(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 1 2.396 1 4 -16.1677762408278 662622 CC(C)C1C2C(C(=O)N(C2=O)C3=CC=C(C=C3)F)C4(N1)C(=O)C5=CC=CC=C5C4=O 1 2.653 2 4 2.25291282306802 662620 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(O2)CCCCCNC(=O)OC(C)(C)C 1 4.273 4 4 0 -29.3323094149824 662619 C1=CC(=C(C=C1Cl)Cl)CSC2=NN=C(O2)C3=CC=NC=C3 1 3.974 3 1 -4.57447040058193 662618 COC1=C(C=C(C=C1)C2=NN=C3N2N=C(CS3)C4=CC=CC=C4)OC 1 3.687 4 2 -6.14585486321582 662616 CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C3=NN=C(O3)SCC(=O)N 1 2.37 5 4 0 -20.5116942626127 662615 CC1=NN2C(=NN=C2SC1)C3=CC=CC=N3 1 1.324 5 0 0 -3.73647200209296 662614 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=N4 1 2.108 5 3 0 -15.6528764315532 662613 CC1=CC=CC(=C1)C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)Br 1 4.954 4 0 1.68751947433403 662610 CC1=C(C2=CC(=C(C=C2O1)Br)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.054 2 3 -6.90565364020854 662608 CC(=C)CSC1=NN=C(N1N)C2=CC(=C(C(=C2)OC)OC)OC 1 2.724 4 3 0 -13.964593446642 662607 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=NC=CN=C3 1 2.275 6 1 0 -15.804455190931 662606 C1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)COC5=CC=CC=C5 1 3.865 4 2 -5.55009291631972 662605 CC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4=CC=CC=C4 1 3.864 4 0 1.17875889547637 662604 C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CS4 1 4.71 3 1 -10.8055548733325 662603 CC1=C(C(=O)NC(=O)N1)CSC2=NN=C(O2)CCCCCNC(=O)OC(C)(C)C 1 1.88 5 5 0 -35.3594883409918 662601 C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC=CO5)N 1 3.942 5 3 0 -8.0411429530987 662600 CN1CCN(CC1)C2=NC=NC3=C2SC4=NC(=C5CCCC5=C34)N6CCOCC6 1 3.074 6 1 0 -4.04549602108589 662599 C1CCCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=CC=CC=C3 1 2.638 2 2 -8.27932262697137 662598 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=NC=C4)C(=O)NCCOC 1 2.e-003 6 3 0 -24.1552126362618 662597 CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=NC=CN=C4 1 1.289 6 3 0 -17.2574632790325 662596 C1=CC(=CC(=C1)Cl)CSC2=NC(=O)C=C(N2)N 1 2.482 3 1 -8.67138736557106 662594 COC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4=CC=CO4 1 2.757 4 2 1.73769468069696 662593 C1C2=C(C3=CC=CC=C3N2)N(C(=O)N1C=O)C4=CC=C(C=C4)Cl 1 3.429 3 2 0.367112361363136 662592 C1CN(CCN1CCNC=C2C(=O)CC(CC2=O)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 1 1.923 4 3 0 -15.2138634156697 662591 CC1=CC(=NO1)NC(=O)C23CCC(C2(C)C)(C(=O)O3)C 1 1.666 2 4 0 -17.5322881484468 662589 COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC=C3 1 3.277 4 1 -7.1643457994474 662588 CC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)NC(=O)C5=CC=CO5 1 3.635 5 2 0 -8.08450219218391 662587 COC1=CC=C(C=C1)CNC2=C(N=C(O2)COC3=CC=C(C=C3)Cl)C#N 1 3.959 3 3 -4.47181405163924 662586 C1=COC(=C1)C2=NN=C3N2N=C(S3)COC4=C(C=C(C=C4)Cl)Cl 1 3.937 4 2 1.09159149006683 662584 C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)C5=CN=CC=C5 1 4.071 3 3 -4.3625475564621 662583 C1CCC(CC1)C2=NN=C3N2N=C(S3)C4=CC=CS4 1 3.794 4 0 -6.14059578935603 662582 COC1=C(C=C(C=C1)C2=NN=C3N2N=C(CS3)C4=CC(=CC=C4)Br)OC 1 4.435 4 2 -3.01798259543012 662580 C/C(=C(/C#N)\C(=O)N)/NC1CCCC1 1 0.541 3 1 0 -12.5840599965674 662579 C1=CC=C(C=C1)CC(C(=O)NCCCN2C=CN=C2)N3C(=O)C4=CC=CC=C4C3=O 1 1.766 4 3 0 -11.4777859062601 662578 CCC1(CC2=C(CO1)C(=S)SC(=C2C#N)N)C 1 2.305 2 1 1.09309261786877 662577 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3OC)CC4=CC=CO4)C 1 4.04 3 4 0 -27.2915402763559 662576 C1=CSC(=C1)C2=NN3C(=NN=C3S2)C4=CC=NC=C4 1 2.181 5 0 -4.70028794184648 662575 CC1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC(=CC=C4)Cl 1 4.529 4 0 3.02678942398233 662573 C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Cl)C(=O)C3=CC=CS3 1 2.953 1 3 -11.2899519247798 662572 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NC3=CC=C(C=C3)OC 1 2.945 5 1 0.386759136126596 662571 CC1=NN(C=C1C=NN2C(=NN=N2)N)C 1 -0.487 8 0 0 -2.43228758521145 662570 CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)C2=CC=CS2 1 4.106 3 1 -17.8796001833451 662569 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@H]3C(=O)NC4=CC(=CC=C4)OC 1 2.535 3 5 0 -19.6257785793819 662568 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3OC 1 3.626 3 2 -0.149365178074609 662567 CCOC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4=CC=C(C=C4)C 1 4.197 4 1 -2.85725917928781e-002 662566 CN(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC(=CC=C3)OC 1 2.48 2 4 -14.6765631323217 662563 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=CC=N5 1 5.225 4 2 -4.90841540377686 662562 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCN3CCCCC3)CC4=CC=CC=C4 1 3.622 5 2 0 -17.1818520007096 662561 COCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC4=CC=CC=C4)N 1 3.107 4 3 0 -16.1672998949953 662560 CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(O2)CCCCCNC(=O)OC(C)(C)C)C 1 4.273 4 4 0 -26.5474084593813 662559 C1=CC=C(C(=C1)C2=NN3C(=O)C(=CC4=CC=CO4)SC3=N2)Br 1 4.01 3 2 -5.99742138375515 662557 CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC)C3=CC=CS3 1 2.965 4 3 0 -18.7626432117836 662556 CCCCSC1=NN=C(O1)[C@H](C(C)C)NC(=O)OC(C)(C)C 1 3.838 3 3 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CC(C)C1=NC(=NO1)C2=CC=CC=N2 1 1.888 3 1 0 0.13491081394142 662472 CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=C(O4)C)OC 1 2.068 2 7 0 -24.5946826540905 662471 CC(=O)NC1=C(C=CC(=C1)C2=NN=C(C3=CC=CC=C32)OC)N4CCOCC4 1 2.56 4 3 0 -8.04570165603733 662469 C1C2(CN3CN1CN(C2)C3)N=CC4=CC5=C(C=C4)OCO5 1 1.321 4 2 0 -3.19341729278552 662468 CCOC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C4=CC=C(C=C4)OC 1 4.036 4 2 -3.937862392745 662467 CCOC(=O)C1CCCN(C1)CCC(=O)NC2=C(NC3=C2C=CC(=C3)OC)C(=O)OC 1 2.439 3 6 0 -6.96890343288517 662466 CC(C)CN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=CS4)N 1 3.522 5 1 -18.7963144031579 662465 CCOC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)COC4=CC=CC=C4 1 3.546 4 2 -0.938269892844357 662464 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CCNC=C3C(=O)CC(CC3=O)(C)C 1 1.105 4 5 0 -20.5095716763071 662462 CCOC(=O)CNC(=O)CSC1=NN=C(N1N)C2=CC=CO2 1 0.221 5 4 0 -19.562521365288 662461 CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)OC 1 2.663 5 3 0 -12.2048608731423 662459 CN1C(=NN=C1SCC2=CC(=CC=C2)OC)C3=CC=CO3 1 3.37 3 2 -5.34928439727315 662458 CCN(CC)C(=O)CSC1=NN=C(O1)[C@H](C(C)C)NC(=O)OC(C)(C)C 1 2.473 4 4 0 -26.7772248595458 662457 CCCCCCC(=O)N(C1CC(=O)N(C1=O)CC2=CC=CC=C2)O 1 2.581 2 4 -10.3957294952238 662455 C1CCN(CC1)C2=C(N(C(=O)NC2=O)C3=CC=CC=C3)N 1 1.239 4 2 0 -4.04553405740918 662439 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)OC 1 2.8 5 3 0 -12.6628640467116 662436 CC1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.966 1 6 0 -11.603165348969 662435 CN1C(=NN=C1SCC2=C(C=CC=C2Cl)Cl)C3=CC=CS3 1 5.274 3 0 -8.5563251895833 662434 CCOC(=O)C1=CN=C(N=C1NC2=CC=CC(=C2)C(=O)O)N3C(=CC(=N3)C)C 1 2.512 5 4 0 -7.00481689494783 662433 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2N)C3=CC=NC=C3 1 2.168 6 1 0 -13.8378905267399 662430 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=N3)OC 1 1.592 6 3 0 -17.2656386691506 662429 C1CCCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=CC(=CC=C3)Cl 1 3.302 2 2 -4.68283987884245 662427 CC1CN(CCN1C2=CC=CC(=C2)C)CC(=O)NC3=C(NC4=C3C=CC(=C4)OC)C(=O)OC 1 3.873 4 4 0 -7.80043780843591 662426 CCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C3=CC=CO3 1 4.678 3 1 -2.4850195824704 662424 CC1=NC(=NC2=C1CCCC2)SC3CC(=O)N(C3=O)C4=CC=CC=C4 1 3.613 3 2 -0.117171551295201 662423 CCOC(=O)N1CCN(CC1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2 1 2.377 4 2 -7.73275200908474 662422 CC(C)(C)C1=NN2C(=NN=C2SC1)C3=CC=CC=C3OC 1 3.576 4 1 -3.12177509133104 662421 CN1C2=C(C(=O)N(C1=O)C)C(C(=O)N2)(C(F)(F)F)NC(=O)C3=CC=CO3 1 0.14 4 5 0 -13.1287076632359 662420 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCCSCC3=CC=CO3 1 1.004 2 5 0 -8.6086353022552 662419 C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CN=CC=C5 1 4.187 4 2 -5.97204946133063 662418 CCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)OC)N 1 3.439 5 2 0 -14.0361462669919 662417 CN(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=C(C=C3)OC 1 2.48 2 4 -14.5752474042815 662416 CCOC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4CCCCC4 1 4.173 4 1 0.15569318006007 662415 C1=CC(=CC(=C1)Cl)C2=NN=C3N2N=C(S3)C4=CC(=CC=C4)Cl 1 4.707 4 0 0.275173174336584 662414 CC1=CC=C(C=C1)C2=NC(=S)C3=C(N2CC4=CC=CO4)CC(OC3)(C)C 1 3.666 2 2 -8.33696014835109 662413 CC1=CC=C(O1)C=NN2C(=NN=N2)N 1 0.121 6 1 0 -5.10487715189183 662412 CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OCC4=CC=CC=C4 1 3.438 5 2 0 -2.00548761233802 662411 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C(C)C)C(=O)NCC3=CC=CO3 1 2.265 3 5 0 -30.4484733546718 662410 COC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)COC4=CC=CC=C4 1 3.197 4 2 -1.29987889611863 662409 C1C2C=CC1N(C2(C(F)(F)F)C(F)(F)F)C(=O)C3=CC=NC=C3 1 2.537 2 1 -1.96852716713517 662408 COC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C4CCCCC4)OC 1 3.807 4 2 -6.34379478422378 662407 C1CN(CCC1C(=O)N)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 -0.695 3 5 0 -5.91325715998731 662406 CCSC1=NC(=CC(=N1)OC2=NN(C(=O)C=C2)C)C 1 2.135 4 2 -8.25145178049705 662405 COC1=CC=CC=C1C(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 1 2.058 1 4 -16.0810644162155 662404 CC(C)CON1C(=O)C2=CC=CC=C2N=C1OC 1 2.716 2 3 -6.32283245547851 662403 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCSC3=CC=C(C=C3)Cl 1 3.381 1 4 -5.16022781910568 662401 C1=CC=C(C=C1)C2=CC=C(O2)C=NN3C4=CC=CC=C4N=C3N 1 4.196 4 1 10.1588643335163 662400 COCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=CS4)N 1 2.199 5 2 0 -21.6754622455222 662399 COCC1=C(C=CC(=C1)C2C(=C(C(=O)N2CCOCCO)O)C(=O)C3=CC=CO3)O 1 0.672 1 8 0 -16.1541261908347 662397 CN1C(=O)C(NC1=O)(C(F)(F)F)NC(=O)C2=CC=CO2 1 0.696 3 4 0 -4.69154960265668 662396 COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NN=C3S2)C4=CC=CO4 1 2.724 4 4 0 -4.1498779724681 662395 C1=COC(=C1)CN2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CC=CO4)(C(F)(F)F)C(F)(F)F 1 2.694 4 4 0 -1.73939855240442 662394 COC1=CC(=C(C=C1)OC)C2=NN3C(=NN=C3SC2)C4=CC(=CC=C4)OC 1 3.671 4 3 0 -1.42932086197977 662393 CCN(CC)C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC=CC=C4OC 1 4.222 5 1 -6.90272390600273 662391 CC(C)C(=O)NC1=NN(N=N1)C 1 0.656 5 1 0 -9.90921201909955 662389 COC1=CC=CC(=C1O)CNC2=C(C=C(C=N2)Br)Br 1 3.849 2 2 3.1081281781087 662388 CCC(C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCOC)N 1 2.188 5 2 0 -21.8539136339237 662387 CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC4CCCCC4 1 3.364 5 2 0 -2.84067344420994 662386 CN1C2=C(N=C1NCC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C 1 3.593 5 3 0 -6.49415608698922 662385 CC(=O)C(C(=O)NC1=CC=CC=C1)SC2=NN(C(=S)S2)C 1 3.411 3 2 -9.88221750725118 662384 CC(C)OC1=CC=CC(=C1)C2=NN=C3N2N=C(CS3)C4=C(C=CC(=C4)OC)OC 1 4.397 4 3 0 -3.37959814968515 662383 C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC4=CC=CO4 1 2.961 4 3 0 -7.25308008305842 662382 CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC)C3=CC=CS3 1 3.314 4 3 0 -19.5467918870339 662381 CC1=CC=C(C=C1)C2=NOC(=N2)CNCCCN(C)C 1 1.638 4 1 0 5.37266028567121 662380 C1=CC=C(C=C1)OCC2=NN3C(=NN=C3S2)C4=CN=CC=C4 1 2.063 5 1 -3.0843663491373 662379 C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=CC=N4 1 3.595 6 0 -10.4811025001851 662378 C1=CC(=CC(=C1)N2C=CC=C2C=NN3C=NN=C3)C(F)(F)F 1 3.155 5 0 6.99500196129971 662377 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(=O)CNC(=O)OC(C)(C)C 1 3.234 1 6 0 -15.474870592837 662376 CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)CN3CCC4(CC3)OCCO4)C)C 1 1.853 3 6 0 -10.8120434614145 662374 CN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=NC=CN=C3 1 2.783 5 0 -9.69923398101721 662373 CC1(CC2=C(C(=O)C1)C(C(=O)N2CC3CCCO3)(C(F)(F)F)NC(=O)C4=CN=CC=C4)C 1 1.396 3 4 0 -21.9515423230772 662372 C1CCC(C1)(C2=CC=CC=C2)C(=O)OCCCN3CCCC3 1 3.802 1 2 -1.74897657211306 662371 CCN1C(=O)/C(=C\N2CCN(CC2)C)/SC1=S 1 1.376 3 1 0 -4.18548021286198 662370 CCOC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)COC4=CC=CC=C4 1 3.546 4 2 -1.92259764329521 662367 C1=CC(=CN=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)N 1 2.618 4 0 -5.70299185222977 662365 CC(C)OP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=CC=C2F)O 1 3.563 1 3 -6.59026503903016 662364 CC1=NN2C(=NN=C2SC1)C3=CC(=C(C=C3)OC)OC 1 2.013 4 2 -6.67172690151131 662363 CCOC(=O)C1=CN=C(N=C1NC2=CC=CC(=C2)C(=O)C)N3C(=CC(=N3)C)C 1 2.622 5 3 0 -7.67005839666745 662362 CN(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CO3 1 1.892 2 4 0 -14.8414416381879 662361 CC(C)CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4CCCO4)N 1 2.946 5 2 0 -25.4864979250437 662353 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=N3 1 2.808 5 1 -11.2510057127228 662352 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2CC=C)C3=NC=CN=C3 1 2.761 6 1 0 -19.4707424279553 662351 C1CCC(CC1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC=CO5)N 1 3.906 6 2 0 -8.86457515441957 662350 CC(C)OCC(CN)O 1 -0.563 1 2 0 -4.09586990881679 662349 CN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C 1 2.692 5 2 0 -1.16675083609695 662348 C1COCCN1CCOC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4 1 3.416 3 2 -1.13445050815629 662347 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OCC)C3=NC=CN=C3 1 1.853 6 2 0 -18.4075599069987 662346 CN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Br)C 1 1.79 6 3 0 -2.73528407687616 662345 CCC(=O)NC(=NC1=NC2=CC=CC=C2S1)NC(=O)CC 1 2.734 4 2 2.32887201638035 662344 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C3=CC4=C(C=C3)OCO4 1 3.155 2 6 0 -8.05413599620435 662343 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COC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4=CC=CS4 1 3.315 4 1 -3.0339956365388 662325 CC(C)OCCCNC(=O)NC12CC3CC(C1)CC(C3)C2 1 2.17 2 2 -14.487073994012 662324 CC(C)(C)OC(=O)NCCCCCC1=NN=C(O1)SCC(=O)N 1 1.518 4 4 0 -26.4229047392681 662322 CC(C)OC(=O)CSC1=NN=C(N1N)C2=CC=NC=C2 1 0.993 5 2 0 -13.7532290776026 662321 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCOC(C)C)C(=S)N 1 1.02 5 2 0 -20.0321717904975 662320 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC 1 2.163 2 7 0 -24.5650864681549 662318 COC1=C(C=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=CO4)OC 1 2.74 4 3 0 -3.5809159693782 662316 C1=CC=NC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)F 1 1.83 6 1 0 -11.9850833395043 662314 CC1=NC(=NC=C1)SCCN2C3=C(N=C2Br)N(C(=O)NC3=O)C 1 1.894 6 2 0 -12.8071156801732 662313 CC(C)[C@@H](C1=NN=C(O1)SCC2=CC(=CC=C2)F)NC(=O)OC(C)(C)C 1 4.298 3 3 -16.853106991311 662312 CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CN4CCCC5=CC=CC=C54 1 4.231 3 1 -11.064606000436 662311 CC(C)OP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC(=C(C(=C2)OC)OC)OC)O 1 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1 2.628 2 1 -10.2718300958963 662279 CON1C(=O)C2=CC=CC=C2NC1=S 1 1.988 2 2 0 -4.76890862720878 662278 CCN(CC)C(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)F 1 1.879 5 1 0 -15.1704174608928 662276 CCOC(=O)C1=CN=C(N=C1NC2CCCCC2)N3C(=CC(=N3)C)C 1 3.164 5 2 0 -10.0388663330193 662275 CC1(CN(CCN1O)O)C 1 -0.33 2 2 0 1.36535286121365 662273 CCOC(=O)C1=CN=C(N=C1NCC2=CC3=C(C=C2)OCO3)N4C(=CC(=N4)C)C 1 2.658 5 4 0 -9.87049408070374 662272 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CC=CC=N3 1 1.174 2 4 0 -8.74167856862317 662271 CC1=CC(=NN1C2=C3C4=C(COC(C4)(C)C)SC3=NC(=N2)N5C(=CC(=N5)C)C)C 1 4.02 6 1 0 -14.8420687436656 662270 C1=CC(=CC(=C1)Cl)CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4 1 4.271 4 1 -6.7091985698771 662269 CC1CN(CC(O1)C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC(=C(C=C4)Cl)Cl 1 3.339 5 3 0 -6.05049730525206 662268 CC(C)[C@@H](C1=NN=C(O1)SC)NC(=O)OC(C)(C)C 1 2.509 3 3 -14.1199527186471 662267 C1C(=NN2C(=NN=C2S1)C3=CC=CC=N3)C4=CC=CC=C4 1 2.998 5 0 -2.57639415953097 662266 CCOC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4=CC=CO4 1 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CC(=NO)C1(N(C(C(=[N+]1[O-])C2=CC=CO2)(C)C)O)C 1 0.323 3 4 0 1.74695607617636 661695 CCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CC=CO4)N 1 4.288 6 2 0 -12.1954186461802 661693 C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 2.091 4 1 3.6873682335095 661692 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NCC3=CC=NC=C3 1 0.355 3 3 0 -11.8569329742761 661691 C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=N5 1 3.996 5 0 9.54406639276426 661690 CCOC(=O)C1=C(C2=CC3=C(C=C2N1)OCO3)NC(=O)CN4CCCCC4C 1 2.808 3 5 0 -10.5685256446356 661689 CC1=C([N+](=O)C(N1[O-])(C)C)C2=CC=C(C=C2)Cl 1 1.269 2 2 0 2.08770737686705 661687 CCOC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)N(C(=C3)C)CCN4CCOCC4)N)C#N)OCC 1 1.583 4 5 0 -22.6110674034168 661686 CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3Br)C(=O)N1CCN(C)C 1 1.979 4 2 0 -11.7988923898449 661685 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NCC3=CC=CC=N3 1 0.57 3 3 0 -13.7060951139602 661684 CC1=CC(=C(C(=O)N1CC(=O)C2=CC=CC=C2)C#N)C 1 1.937 2 2 0 -8.83445682491711 661683 CCC(=O)N(CC1=CC=CS1)C2CCOC(C2)(C)C 1 1.993 1 2 0 -9.83217304304724 661682 COCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4CCCO4)N 1 1.235 5 3 0 -23.2678424495575 661679 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC=C3C(=N2)CC(CC3=O)C4=CC=CO4 1 2.323 4 5 0 -19.9738025930945 661678 COC1=C(C=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=CS4)OC 1 3.299 4 2 -8.35260628661397 661677 COC(=O)[C@H]1CCCN1C(=O)NC2=CC(=CC=C2)OC3=C(C(=C(C(=C3F)F)F)F)F 1 4.043 2 4 -2.31361878254616 661675 COC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3O2)Br)N)Br 1 4.014 2 2 9.62848990248193 661674 CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OCC=C 1 2.842 4 4 0 -9.05996688418686 661670 C1=CC=C2C(=C1)C=CC(=N2)SCCC(=O)O 1 2.826 1 2 -5.3900155345781 661669 COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NN=C3S2)C4=CC=CC=C4 1 3.329 4 3 0 -5.52449887991578 661667 CC(C)CC1=C2CCCC2=C(C(=N1)N3CCOCC3)C#N 1 3.041 3 1 -5.53807867820776 661666 C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=O)N(C=N4)CC5=CC=CO5)N6CCOCC6 1 3.825 4 3 0 -10.2445249971846 661665 CCOC(=O)/C(=C/1\N(C(=O)C(S1)CCO)C2=CC=CC=C2)/C#N 1 1.767 2 4 0 -5.50056944758199 661664 CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CCC5=CC=CC=C5)C(=O)N1CCCOC 1 3.587 5 2 0 -12.7270896463645 661663 COC1=C(C=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=C(O4)Br)OC 1 3.309 4 3 0 -5.7035511995766 661662 C1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3O2)Br)N)Br 1 4.03 2 1 9.56693969531087 661661 CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C 1 3.306 3 3 -7.3246986663641 661660 CCCC1CC2=C(CO1)SC3=NC=NC(=C23)N 1 2.218 3 1 -5.90224266464144 661659 CCOC(=O)CNC(=O)NC1=CC=CC=C1C(=O)OC 1 0.857 2 5 0 -17.5457432658957 661658 CC1=CC=C(C=C1)C(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CO4)C#N 1 3.769 2 3 -31.3391328722115 661657 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NN4C(=NN=C4S3)C5=CC=C(C=C5)Cl 1 2.927 5 2 0 -0.50461418097936 661656 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=N3)C4=CN=CC=C4 1 2.859 6 1 0 -11.7389039530935 661655 CCOC(=O)C1=C(C2=CC3=C(C=C2N1)OCO3)NC(=O)CN4CCC(CC4)C 1 2.682 3 5 0 -10.9913982545432 661653 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)NCC3=CC=NC=C3 1 1.577 3 2 0 -1.2134706389492 661650 COC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC=CC=C4)OC 1 3.345 4 2 -5.52342872886598 661649 CC1=CC=C(C=C1)OCC(=O)NCC(=O)N2C(=CC(=N2)C)C 1 1.737 3 3 0 -14.2852132884884 661648 C1=CC(=C(C=C1Br)CNN2C=NN=C2)O 1 0.997 4 1 0 3.3345691067932 661647 CCOC(=O)C=C1C(=O)N(C(=C(C#N)C(=O)OCC)S1)C2=CC=CC=C2 1 2.691 2 5 0 -5.18933946370744 661646 C1COCCN1CCCNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4F 1 2.977 4 1 2.67604585453045 661645 C1CC2=C(C(C(=C(N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=CO4)C(=O)C1 1 3.283 2 3 -32.2321746662456 661644 CCOC(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.707 2 3 -5.64510031501377 661642 CC1CCC(=C2C1=C(C(=C(O2)N)C#N)C#N)C(C)C 1 2.505 3 1 -4.59278819722425 661641 CCOC(=O)C(CC(=O)O)N1CCCCC1 1 -1.877 1 4 0 -12.121261879538 661639 CCCC(=O)N1CCN(CC1)C2=NC(=C3CCCC3=C2C#N)CC(C)C 1 3.694 4 1 -12.2162811991687 661638 CC1=C2C(=NC(=N2)C3=C(C=CC(=C3)OC)OC)C(=O)NN1 1 0.493 4 3 0 -4.4139915461859 661637 COC(=O)C=C1C(=O)N(C(=C(C#N)C(=O)NCC2=CC=CO2)S1)C3=CC=CC=C3 1 2.112 3 5 0 -11.7912672185829 661634 C1=CC=C(C=C1)C2=CC(=NC(=N2)OC3=CC=CC=C3)C(=O)N 1 3.51 3 2 -0.767836573957433 661633 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CCOCC3)Br 1 3.196 2 3 -7.3532934163187 661631 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=NC=C4)C#N 1 0.804 6 1 0 -16.910338644691 661630 CCCSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC)C#N 1 4.156 2 2 -29.3343713180863 661627 CC1=CC(=NC(=N1)NC2=NC(=C(S2)C(=O)C)C)OC 1 1.601 4 2 0 -11.3370490170338 661626 C1=CC=C(C=C1)CN2C3=CC(=CN=C3N(C2=O)CC4=CC=CC=C4)Cl 1 4.324 3 1 -0.626032168274562 661625 C1=CC(=CC(=C1)Br)C=NN2C=NN=C2 1 1.793 4 0 0 3.25113840420845 661623 CN(C)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4OC)ON2C5=CC=CC=C5 1 4.039 3 4 0 -8.3081017622205 661622 C1=CC=C(C=C1)N2C3=C(C=NC=C3)N=N2 1 2.066 4 0 -1.12258494791069 661621 C1COCCN1CCNC2=NC=NC3=C2NC4=C3C=C(C=C4)Cl 1 2.339 5 1 4.25421024509652 661618 CC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CO4)C#N 1 3.149 3 3 -36.6135517875285 661617 CC1=CC(=NC2=C1C(=C(O2)C(=O)C3=CC=CC=C3)N)C 1 2.899 2 2 -0.605468860428653 661616 COC(=O)C1=CC=CC=C1NC=C2C(=O)OC3(CCCCC3)OC2=O 1 2.474 1 6 0 -10.7967413859023 661614 CCN=C1N(C(=O)CC(S1)C(=O)NCCC2=CC=CC=C2)CC 1 2.557 3 2 -12.6559974270104 661613 CC1=NN=C(S1)SCC(=O)N2CCC(CC2)C(=O)N 1 -0.154 4 2 0 -17.8190503665475 661612 CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C 1 2.157 3 5 0 -16.3047495951733 661611 COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N4CCOCC4=N3 1 2.337 2 3 -4.33703629275233 661607 CC(C)CC(=O)NC1=CC=CC=C1N2CCCC2 1 2.948 2 1 -8.26064571660548 661605 CC(C)CC1=C2CCCC2=C(C(=N1)N3CCCCC3)C#N 1 4.271 3 0 -4.00309274335983 661604 CN1C=C(N=C1C(C2=CC=CC=C2)O)Cl 1 2.104 2 1 -4.83596674480481 661601 CCC(=O)NC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)N4CCCCC4 1 3.57 4 2 -7.21661933636373 661600 CC1CN(CC(O1)C)CC(=O)C2=C(NC3=C2C=C(C=C3)OC)C 1 2.441 2 3 -4.41687965521004 661599 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5 1 3.245 5 3 0 -17.4931925433501 661597 CC1=C([C@@]2(C3=CC=CC=C3N(C2=O)CC(=O)N)C(=C(O1)N)C#N)C(=O)OC(C)C 1 7.5e-002 4 5 0 -15.0801746049749 661595 CCOC(=O)C1=CN=C(N=C1N)SC2CC(=O)N(C2=O)C3=CC(=CC=C3)OC 1 1.79 4 5 0 -2.99032051756463 661593 COC(=O)C=C1C(=O)N(C(=C(C#N)C(=O)N2CCCCC2)S1)C3=CC=CC=C3 1 2.47 3 4 0 -10.1642683064684 661592 CN1CCN(CC1)C2=NC(=CC(=N2)C(=O)N)C3=CC=CC=C3 1 1.449 5 1 0 4.63670121072394 661591 CC1=C(SC(=S)N1C)NC(=O)NC(=O)C 1 1.521 3 2 0 -4.94516476604391 661590 CC1CCC2=C(C1)C3=C(N=CN=C3S2)N4CCOCC4 1 3.136 3 1 -7.43684060877324 661589 CC(C)OC(=O)C1=C(C2=CC3=C(CCCC3=O)N=C2S1)N 1 2.395 2 3 -14.4697597182036 661588 CCC1CC2(NC(=O)C3=C(N2C1=O)SC4=C3CC(OC4)(C)C)C 1 1.562 2 3 0 -14.9770644477671 661586 COC1=CC2=C(C=C1)N(C(=N2)N)CC3=CC=CC=C3 1 2.913 3 1 0.16025117210162 661585 C1CN(CCN1C=O)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 -0.734 3 4 0 -8.65350388933992 661583 CC1=C(SC(=C1C(=O)OC)N2C=NN=N2)C 1 0.99 4 2 0 -17.7328253674774 661582 CC1=CC(=C(O1)CSC2=NC=NN2)C(=O)O 1 1.214 3 3 0 -11.956141264959 661581 CC1=CC=CC2=C1N(C(=CC2=O)C)CC(=O)N3CCOCC3 1 1.52 2 3 0 -9.21679895584318 661579 CC1=NC(=NC2=CC=CC=C12)NC3=NC=C4C(=N3)CC(CC4=O)(C)C 1 2.833 5 1 -10.7653236579454 661578 CC1CCC2=C3N1C(=C(C(=O)C3=CC(=C2)F)C(=O)NCC4=CC=CO4)O 1 3.053 2 4 -9.64714775368385 661577 CC1=CC=C(C=C1)C(=O)CN2C(=CC(=C(C2=O)C#N)C)C 1 2.423 2 2 -8.22710585174157 661576 CCN(CC)C(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=CC=C2)C#N 1 3.185 3 3 -42.411052128296 661574 CN1C2=C(C=CC=N2)NC1=S 1 2.278 3 0 -2.43302455646338 661573 C1CCN(CC1)C(=O)NC2CCS(=O)(=O)C2 1 0 2 3 0 -15.9988502499282 661572 CC1=CC(=NC2=C1C(=C(O2)C(=O)C3=CC=C(C=C3)OC)N)C 1 2.883 2 3 -0.222787502063446 661571 COC1=CC=CC(=C1O)CNC2=NC=C(C=C2)Br 1 2.628 2 2 -0.520067517523248 661569 CCCC1CC2=C(CO1)SC3=NC(=NC(=C23)N)SC 1 3.281 3 1 -5.0929346930065 661568 COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=O)S2)OC 1 3.574 2 3 -7.32464335335641 661566 C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CC=C(O4)Br 1 3.376 4 1 -6.13701681468974 661565 CCC1=C(N=C(N(C1=O)CC#N)SC)C 1 1.807 3 1 0 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3 2 -2.33952410078793 661336 C1CCN(C1)C2=NC=NC3=C2NC4=CC=CC=C43 1 2.515 4 0 4.32010279389239 661335 COC1=CC=CC=C1C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)CS5 1 4.17 2 2 -13.7230590051427 661334 CN1C(N(C2=CC=CC=C21)C)C3=C(C=CC4=CC=CC=C43)O 1 4.422 2 1 2.76265439496777 661333 CC1=CC=C(C=C1)CNC2=C(N=C(O2)COC3=CC=CC=C3Cl)C#N 1 4.462 3 2 -6.35086058151644 661332 C1=CC=C2C(=C1)N=C3N2C(=O)C(S3)CC(=O)O 1 1.97 2 3 0 -8.48145091511807 661330 CC(=O)NC1=COC2=C1C=C(C=C2)Br 1 2.002 1 2 0.780009491365327 661329 CCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=CC=C(C=C3)N 1 1.835 5 2 0 -15.9052443343833 661327 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NCC3CCCO3 1 0.458 3 3 0 -18.1540128912646 661325 C1CN(CCC1CC2=CC=CC=C2)C3=C(N=C(O3)COC4=CC=CC=C4)C#N 1 4.739 3 2 -1.9646299035288 661324 C1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N 1 3.373 8 0 0 -2.09697957207882 661323 CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CN3CCN(CC3)C 1 2.204 2 4 3.02951381092791 661322 CC1=CC(=NN1CCN2C(=CC(=N2)C)C)C 1 1.634 4 0 0 -5.79670385061154 661320 C1=COC(=C1)C(=O)C2=NC=CN2 1 0.923 2 2 0 -3.02122619300576 661318 CC(=NO)C1=CC2=CC=CC=C2OC1=O 1 1.657 1 3 0 -5.21738162390971 661316 C1CC(CC=C1)COCC2CNC(=O)O2 1 1.477 1 3 0 -2.60810746784366 661315 C1=CC=C(C(=C1)OCC2=NC(=C(O2)NCCCN3C=CN=C3)C#N)F 1 1.737 5 2 0 -3.98441623499286 661314 CC1=C(C(=CC=C1)C)OCC(CNS(=O)(=O)C2=CC=CC=C2C(=O)N3CCOCC3)O 1 1.936 2 6 0 -16.7931992200856 661313 CC1=CC(=NC(=C1C#N)NC2=CC=CC=C2Cl)C 1 4.08 3 0 -2.3144480578142 661312 CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=C(C=CC(=C4)Br)OC 1 3.193 3 2 -3.15000182798121 661311 C1CN(CCN1CC2=CC=CC=C2)C3=C(N=C(O3)COC4=CC=C(C=C4)Br)C#N 1 4.371 4 2 -2.04548932081649 661310 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(SC3=O)CC(=O)O 1 0.785 3 5 0 -17.1210358891485 661309 CC(=C)CN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC 1 4.523 2 1 -1.16670125025602 661308 CCOC(=O)C1CSC2=C(C1C3=CC=CC=C3)SC(=O)N2 1 2.891 1 3 -8.46147641507008 661306 CCCC(=O)N(CC1=CC2=C(C(=CC=C2)C)NC1=O)C3=CC=CC=C3OC 1 3.715 2 3 -14.9237021087785 661305 CC(C)(C)C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=CC=C3)C#N 1 3.874 4 2 -22.416505818271 661304 COCCCN1C2=C(C3=NC4=CC=CC=C4N=C31)C(=O)N(C=N2)C5=CC=CC=C5OC 1 3.163 5 3 0 -12.0617477507684 661303 CC1=C(C(=O)C2=C(N1)C=CC(=C2)Br)CN3CCCCC3 1 3.426 2 1 -2.7483248509199 661302 CC1=CC2=C(C=C1)NC3=C2CCCC3C(=O)N 1 2.971 2 1 -2.21599380155941 661301 CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)OC)OC)C(=O)N1 1 0.853 3 4 0 -16.7442832043853 661300 C1=CC=C(C=C1)C2=NC(=S)N(N2)C3=CC=CC=C3 1 4.192 3 0 -0.101938587373771 661299 C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)N3C=CN=C3 1 3.062 3 1 -1.74456254646846 661298 C1CN(CCN1CC2=CC=CC=C2)C3=C(N=C(O3)COC4=CC=C(C=C4)F)C#N 1 3.828 4 2 -1.69895124083662 661296 CCC1=C(NC2=C1C=C(C=C2)Br)C(=O)O 1 3.735 1 2 -0.780059280328231 661295 CC1=CN(N=C1)C2=CC(=NC=N2)OC3=CC=CC=C3 1 3.402 4 1 2.46035938478727 661292 C1C[N+]2(CCN1C3=CC=CC=C32)[O-].O H2O 1 0.888 2 1 0 -0.652473553691601 661290 CN(C)C(=O)C[N+]1=CN(C=C1)CC#C.[Br-] Br- 1 1.723 3 1 0 0.879251404714826 661269 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)CN3CCOCC3 1 1.324 5 3 0 -20.927800783857 661266 C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCO 1 2.805 2 1 2.97421636262575 661265 CN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=CC=C3)C(=O)N4C=CC=CC4=N2 1 0.892 4 3 0 -19.9247071948021 661264 C1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)Cl)C#N 1 3.828 3 1 0.894833917299541 661263 COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=CS3)C#N 1 3.571 3 2 -2.97897868406337 661262 C1=CC=C2C(=C1)N=C(O2)SCC#CCOC(=O)C3=CC=CO3 1 3.928 1 4 -3.63719447463883 661261 CN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CO4 1 3.057 4 3 0 -7.24667318552794 661260 CC(C)CNC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)OC 1 2.727 5 1 1.01995898114274 661259 CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2OC 1 2.637 1 5 -12.600647203218 661258 COC1=CC=C(C=C1)N2C=C(C=C(C2=O)Br)C(=O)OC 1 1.71 1 4 0 -6.13172606082424 661257 CC(COC)NC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl 1 2.463 5 1 1.11477508124098 661256 C1CCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3Cl)C#N 1 3.828 3 1 -1.07971145747331 661255 CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)Cl)CCCN4C=CN=C4)O 1 2.144 4 3 0 -13.1386249434679 661254 C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.578 3 3 0 -10.2662246841489 661253 COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)CCN3CCOCC3 1 1.997 3 4 0 -4.98793837019005 661252 CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC#N)N4CCN(CC4)CC(=C)C)C#N 1 4.792 6 0 -11.9457647296315 661251 COC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CO4 1 3.252 3 4 0 -0.621058050662108 661250 CCC(C)NCC(=O)NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CNC(C)CC 1 2.961 5 3 0 1.17406990037156 661249 COC1=CC(=CC(=C1)C2=NNC(=S)N2CC=C)OC 1 2.685 3 2 -9.22947664639398 661248 COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC=C 1 2.152 5 1 -1.16378034091959 661247 CCC(CCC(=O)NC1=NN=CS1)(C(=O)OCC)C(=O)OCC 1 1.353 3 5 0 -13.1818872197717 661246 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C3=NON=C3C 1 1.902 4 5 0 -10.6115967788672 661245 C1=CSC(=C1)C2=NC(=C(O2)NCC3=CC=C(C=C3)Cl)C#N 1 4.094 3 1 -2.58359273978818 661243 CC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)C 1 2.286 3 2 -3.08891733046233 661242 C1=CC=C(C=C1)N2C=CC(=N2)NC(=O)CCCC(=O)O 1 2.017 3 3 -9.38728690769385 661240 CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CC=C3)CCN(C)C)O 1 1.814 3 3 0 -18.7211523950777 661239 CCOC(=O)CC(C1=CC=CC=C1)C(=NO)C 1 1.877 1 3 0 -6.39012652604887 661238 COCCN1C2=C(C=C(C1=N)C(=O)NCC3=CC=CO3)C(=O)N4C=CC=CC4=N2 1 -0.112 5 4 0 -25.9909530595097 661237 CCCNC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)OC 1 2.408 5 1 2.65339110481962 661236 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC(=CC=C4)OC 1 3.598 5 1 9.8468852859022 661235 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=CC=C4OC 1 3.598 5 1 7.91892551725689 661234 CCC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3 1 2.841 3 2 -1.39274854318484 661233 CN(C)C1=C(N=C(O1)C2=CC=CS2)C#N 1 2.199 3 1 -1.67062663497236 661230 CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)OC)CCN4CCOCC4)O 1 1.486 3 5 0 -21.562227403365 661228 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC(C)C3=CC=CC=C3 1 2.06 3 2 -13.9454296086377 661227 CCCC(CCC(=O)NC1=CC=C(C=C1)C(=O)OCC)C(=O)O 1 2.831 1 5 -14.6432747568817 661226 CC1(CC(CC(N1)(C)C)NC(=O)C2=COC(=O)C(=C2)Br)C 1 0.684 2 3 0 -11.9921278934497 661224 C1=CSC(=C1)CNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl 1 3.54 5 0 2.10713968508875 661223 C1CC(OC1)CN2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CCC6=CC=CC=C6 1 3.935 5 2 0 -13.8341045299061 661221 CCC(=O)NC1=C(C2=NC3=CC=CC=C3N=C2N1C4=CC=C(C=C4)C)C#N 1 4.274 5 1 -10.5225963394572 661220 C1=CC=C(C=C1)CNC(=O)NC(=O)C2=CC=CC=C2 1 2.401 2 2 -8.89101626393596 661217 C1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=CS3)C#N 1 3.429 3 1 -5.31780056167938 661216 C1=CC=C2C(=C1)C(=O)N(C2=O)CCN3C(=NC(=N3)Cl)Cl 1 2.208 4 2 -2.96292174314356 661215 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C3=COCCO3 1 1.523 2 5 0 -5.67730832268547 661213 CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC#N)N4CCCCC4)C#N 1 4.689 5 0 -9.59859656887918 661211 C1CC(OC1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4 1 2.122 3 3 -18.6644282682068 661209 COC(=O)C1=CN(C(=O)C(=C1)Br)CCC2=CC=CC=C2 1 2.055 1 3 -3.05004444370971 661208 CC1=CC(=NC(=N1)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C)C 1 3.797 4 2 -15.8243497723891 661207 COC(=O)C1=CN(C(=O)C(=C1)Br)CCN2CCOCC2 1 -2.4e-002 2 4 0 -8.62639706306037 661205 CCN1C(=NNC1=S)C2=CC(=C(C(=C2)OC)OC)OC 1 2.401 3 3 -7.05535863884785 661204 C1OC2=C(O1)C=C(C=C2)CNC3=C(N=C(O3)C4=CC=CS4)C#N 1 3.198 3 3 -6.10084536760012 661203 CC1CCC2=C3N1C4=C(C=C(C(=C4)C#N)C#N)OC3=CC=C2 1 3.982 3 1 -4.51350722877209 661202 CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CN=CC=C3)CCN4CCOCC4)O 1 0.351 4 4 0 -21.4029762747531 661201 CC1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 3.621 5 0 2.4232643939121 661199 CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=N3 1 2.227 3 3 -11.3466921571163 661197 CC1(CC2=C(C(N1)(C)C)SC(=C2C#N)NC(=O)C3=CC=CO3)C 1 2.744 3 2 -22.6189202839056 661195 C1CCC(CC1)N2C(=C(C(=O)NC2=O)C3C4=CC=CC=C4CCN3)O 1 2.676 3 3 -12.3834350110725 661194 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCC(CC4)C(=O)N)C 1 2.204 6 1 0 2.26906587768391 661192 C1CCN(C1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 2.218 5 0 4.53263650389852 661191 CCC(=O)N(CC1=CC2=C(C(=CC=C2)C)NC1=O)C3=CC=CC=C3OC 1 3.259 2 3 -11.1783877542681 661190 CC1(C2(CCC1(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4)C)C 1 2.839 2 2 -5.48159946521293 661188 CC1CN(CC(O1)C)C2=C(N=C(O2)C3=CC=CS3)C#N 1 2.642 3 2 -9.21787542137726 661187 C1COCCN1CCCNC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 1.44 6 1 0 0.872043200227607 661186 CC1=CC=CC(=C1)C2=NC(=C(O2)NC3CCCCC3)C#N 1 4.237 3 1 2.63608579830638 661185 C1=CC=C(C=C1)CCNC2=C(N=C(O2)C3=CC=CS3)C#N 1 3.751 3 1 -4.1283179312512 661183 CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CC=C3OC)CCN4CCOCC4)O 1 1.486 3 5 0 -22.1742479247462 661182 C1CCCN(CC1)C(=O)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4 1 3.841 3 2 -2.53357710788952 661181 CCN1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)OCC)C#N 1 2.885 4 2 -0.515305338369495 661180 CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCCN4CCOCC4)C#N 1 3.645 5 1 -11.4420919395811 661179 CN1C2=CN(C=C2C(=O)N(C1=O)C)C3=CC=CC4=CC=CC=C43 1 2.761 3 2 -6.81789016547658 661178 CCCOC1=CC=C(C=C1)CSC(CC(=O)O)C(=O)O 1 2.581 0 5 -10.5691568450655 661176 COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)CS5)OC 1 4.154 2 3 -17.8540097891011 661175 C1=CC2=NSN=C2C(=C1)NC(=O)C3=CC=C(C=C3)F 1 2.948 3 1 -3.85161313785616 661174 CCCCOCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCCOC)N 1 2.783 4 4 0 -18.5972559378641 661173 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NCCOC 1 -3.2e-002 3 3 0 -16.7872013508422 661172 CC1=C(C(=O)N=C(N1)SCC(=O)N)CC2=CC=C(C=C2)OC(C)C 1 2.466 3 3 -16.8470965572101 661167 CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=C(C=C2)Cl)C#N 1 3.493 4 0 -2.40456044896262 661166 CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)OC)CCN(C)C)O 1 1.798 3 4 0 -18.6817649199616 661164 C1=COC(=C1)C(=O)N2C=NC(=N2)N 1 0.413 4 2 0 -2.60649245105196 661163 C1COCCN1CC(=O)NC2=C(C=C(C=N2)Br)Br 1 1.529 3 2 0 -5.08080261791921 661162 CCCCCSC1=NC(=O)C(=C(N1)C)CC(=O)O 1 2.377 2 3 -17.7431132773495 661161 COC(=O)CNC1=NC(=NC2=CC=CC=C21)C3=CC=NC=C3 1 1.44 4 2 0 1.65802854240206 661160 COC(=O)C1=CN(C(=O)C(=C1)Br)CCC2=CCCCC2 1 2.477 1 3 -6.86528329064732 661158 COC(=O)C1=CN(C(=O)C(=C1)Br)CCN2CCCCC2 1 1.206 2 3 0 -6.22779085214828 661157 COC(=O)C1=CN(C(=O)C(=C1)Br)CC2=CC=C(C=C2)C(=O)O 1 1.363 1 5 0 -5.05536542431764 661156 CC1(C2(CCC1(OC2=O)C(=O)N(C3=CC=CC=N3)C4=CC=CC=N4)C)C 1 3.087 3 3 -9.1062194913422 661155 CCCCC(CCC(=O)NC1=CC=C(C=C1)C(=O)OC)C(=O)O 1 2.938 1 5 -12.5444212536587 661154 CN(C)CCCNS(=O)(=O)C1=C(C=CC(=C1)Cl)Cl 1 2.27 2 2 -3.57689031510715 661153 CCCC(C)N1C(=CC(=O)N1)N 1 0.408 3 1 0 -6.14429622397279 661152 CC(=O)C1=CC(=C(C=C1)OC)CSCCC(=O)O 1 1.831 0 4 0 -12.5969276640925 661151 CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC 1 2.417 5 3 0 1.28983109044371 661150 CCOC1=CC=C(C=C1)C2=NC(=C(O2)NCC(C)C)C#N 1 3.417 3 2 -2.25642075849164 661149 CC(C(=O)NC1=CC=C(C=C1)OC)OC2=CC=C(C=C2)C(=NO)C 1 2.725 2 4 -7.82172367248603 661148 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)NC4N3C(=O)C5=CC=CC=C45 1 2.151 4 2 -8.18211882313781 661147 C1=CSC(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=NC=C3 1 3.109 3 3 -10.7633505662755 661146 CCCCC(CCC(=O)NC1=CC=C(C=C1)C(=O)OCC)C(=O)O 1 3.287 1 5 -13.6633520936366 661143 CC1=C(C(=CC(=C1C)Br)C(=O)NCC2=CC=CO2)C 1 4.01 1 2 -7.63123885382469 661142 CCCOC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=NC=NN23)C 1 3.34 5 2 0 -14.6968421525409 661141 CN1C(=NN=N1)SCC(=O)NCC2=CC=CC(=C2)C(=O)O 1 0.496 5 3 0 -24.9856528384724 661140 C1C(C(=C2N(C1=O)C(CS2)(C3=CC=CC=C3)O)C#N)C4=CC=CC=C4 1 3.292 2 2 -9.75083186399026 661139 CCOC(=O)C(CC(C)C)CP(=O)(CNC(=O)OCC1=CC=CC=C1)O 1 2.942 1 6 0 -11.6785751239079 661138 CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=C(C=C1)OC)N2CCOCC2 1 2.303 2 5 0 -10.5856464413246 661122 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCCC4)C 1 3.191 5 0 2.55291777011007 661120 CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC=CC=C4)C(=O)N2)C 1 0.954 3 3 0 -12.5154772186225 661119 CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=C(C(=CC=C3)OC)OC)CCN(C)C)O 1 1.782 3 5 0 -22.3382754543018 661118 CC1(CC(=CC(=O)C1)NC2=CC=C(C=C2)C(=O)OC)C 1 2.559 1 3 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C1=CC=C(C=C1)N(CC(=O)O)C2C(=O)NC(=O)S2 1 1.756 2 4 0 -9.030246073217 661100 CC1=CC=C(O1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)C3=CC4=CC=CC=C4O3 1 2.553 2 5 0 -13.9337195896184 661099 CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)CC(=O)CC(=O)OC)C 1 2.029 5 3 0 -6.42182272348676 661098 CC(=O)NC1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 2.249 6 1 0 1.33702613775308 661097 C1CN(CCN1CC(=O)NC2=C(C=C(C=N2)Br)Br)C(=O)C3=CC=CC=C3 1 2.723 4 2 -5.86456331984985 661096 CCC(CC)N1C(=CC(=O)N1)N 1 0.476 3 1 0 -4.17092272843273 661095 CC1=CC(=NN1CCOC(=O)C2=C(C3=CC=CC=C3S2)Cl)C 1 4.229 2 2 -6.62716263842092 661093 C1=CC(=C(C=C1Cl)S(=O)(=O)NC2=NC=CS2)Cl 1 2.643 2 2 -3.09659712080257 661091 CN(C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4OC 1 3.103 2 5 0 -13.1010799466565 661090 CCOC(=O)C1=C(N(C(=C1)C)CC2=CC=CC=C2)C 1 3.208 1 2 -9.68593598988393 661088 COCCNC1=C(N=C(O1)C2=CC=C(C=C2)Cl)C#N 1 2.426 3 2 -0.517525410201107 661087 C1=CC=C(C=C1)CN2C3=C(C=C(C2=N)C(=O)NCC4=CC=CO4)C(=O)N5C=CC=CC5=N3 1 1.602 5 3 0 -23.2578501730783 661085 CC(=CCC(C)(C)CNC(=O)NC1CCCCC1)C 1 4.063 2 1 -13.4870334399434 661084 COC(=O)CCCC1=NC2=CC=CC=C2S1 1 2.701 1 2 -7.13858440112384 661081 COC1=CC=CC=C1N2C=C(C=C(C2=O)Br)C(=O)OC 1 1.71 1 4 0 -5.53812996345834 661080 CC(C)OCCCNC1=NC=NC2=C1C=NN2C3=CC=CC=C3 1 2.209 5 1 -1.64260857431039 661079 CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CN=CC=C4 1 2.666 3 4 0 -12.7053103164978 661078 CNC1=C(N=C(O1)C2=CC=CC=C2Cl)C#N 1 2.557 3 1 -0.334790978514775 661077 CC(C)CN1C2=C(CCCC2)C(=O)C(=C1O)C(=O)NC3=CC=C(C=C3)F 1 4.035 2 3 -10.4480533242034 661076 CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 4.646 3 3 -2.82055255575371 661074 CN(C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4 1 3.181 2 4 -11.4408365810752 661073 C1CC(OC1)CNC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 1.91 5 1 0 -1.45766487281279 661071 C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=O)O)Cl 1 3.691 0 3 -2.19357570385213 661070 CC(C)NC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)OC 1 2.262 5 1 0.563621744854877 661069 CC(=O)C1=CC=C(C=C1)N2C=C(C=C(C2=O)Br)C(=O)OC 1 1.466 1 4 0 -9.6022152313862 661067 CC1=CC(=O)OC2=C1C=CC(=C2)OCCSCCN3CCOCC3 1 2.77 1 4 -8.62564536780146 661066 CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 3.646 3 3 -3.60990418897145 661065 CNC1=C(N=C(O1)C2=CC=CS2)C#N 1 1.846 3 1 0 -5.28754690759495 661064 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NCC3=CN=CC=C3 1 0.532 4 2 0 -16.1913734855788 661063 C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.361 4 2 -0.382041412981437 661062 C1COCCN1CCNC2=C(N=C(O2)C3=CC=CS3)C#N 1 1.672 4 2 0 -6.71129945835166 661061 CCCN1C2=C(CCCC2)C(=O)C(=C1O)C(=O)NC 1 1.933 2 3 0 -12.4680525226722 661059 CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(O3)C 1 3.843 3 1 4.3911446393527e-002 661055 C1CCN(C1)C2=C(N=C(O2)C3=CC=C(C=C3)F)C#N 1 2.913 3 1 0.139180766346053 661053 C1=CC(=CC=C1CSC2=NN=NN2C3=CC=C(C=C3)C(=O)N)F 1 2.591 5 1 -19.1104856351114 661052 CC(C)N(CCN1C=C(C=C(C1=O)Br)C(=O)OC)C(C)C 1 1.741 2 3 0 -5.95876167687763 661051 CCCN1C(=O)C=CC(=N1)OC2=NC(=NC(=N2)N(C)C)SC 1 2.316 6 2 0 -8.16078784481524 661050 CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)C3=CC4=CC=CC=C4O3 1 3.668 2 4 -10.8200698998025 661049 CCN1C2=C(C=C(C1=N)C(=O)NCCCOC)C(=O)N3C=CC=C(C3=N2)C 1 -2.e-002 5 3 0 -24.9227377192606 661048 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)NC(=O)C 1 2.735 6 1 0 5.08696289535811 661047 CC(C)C(C1=CC=CC=C1)C(=O)NC2=NC=CS2 1 2.817 2 1 -6.24564218167982 661046 CC1CN(CC(O1)C)C2=C(N=C(O2)C3=CC=CC=C3Cl)C#N 1 3.353 3 2 -4.26511949229708 661045 COC1=C(C=C(C=C1)CN2C=C(C=C(C2=O)Br)C(=O)OC)OC 1 1.701 1 5 0 -7.76126890746466 661044 CC(=O)NC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OC)N 1 2.351 5 3 0 -14.2885782208251 661043 C1CCC(=NO)C(C1)C2=CC=CC=N2 1 2.154 2 1 0.354485272284065 661042 CCN1C(=NNC1=S)C2=CC=CO2 1 1.846 3 1 0 -2.29814310768443 661041 COC1=CC=CC=C1C2=NC(=NN2)SCC3=CC=CC=N3 1 3.209 4 1 -3.0293661195032 661040 COC1=CC=C(C=C1)N2C=C(C=CC2=O)C(=O)OC 1 1.257 1 4 0 -5.55608786990315 661039 C1COC2(O1)CC=C3[C@H](C2)[C@H](C(C(=C3C#N)N)(C#N)C#N)C4=C(C=CC=C4F)F 1 1.158 4 2 0 -1.88655564422285 661038 CCCC(CCC(=O)NC1=CC=C(C=C1)C(=O)OC)C(=O)O 1 2.482 1 5 -13.5243439169038 661037 CNC1=C(N=C(O1)C2=CC=C(C=C2)Cl)C#N 1 2.557 3 1 1.63975439625808 661036 C1=CN=CC=C1C2=NN=C(O2)SCC#CCO 1 1.112 3 2 0 -3.66008121677416 661034 C1=CC(=CC(=C1)CN2C=C(C=N2)Br)C(=O)O 1 2.441 2 2 -4.87312473443524 661033 COC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4 1 2.373 3 3 -9.01704093761214 661032 COCCNC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl 1 2.085 5 1 1.98342900566431 661031 C1CCCN(CC1)C2CCN(CC2)C(=O)C3=CC=CC=C3F 1 2.933 2 1 -3.17729966197762 661030 CCOC1=CC=C(C=C1)C2=NC(=C(O2)NC3CC3)C#N 1 2.715 3 2 -1.60833755887509 661026 COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=CO4 1 2.3 5 2 0 1.40539069416774 661025 CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCN4CCOCC4)C#N 1 3.583 5 1 -12.0856700796163 661024 CC1=CC(=NN1CCOC(=O)C2C(C2(C)C)C=C(Cl)Cl)C 1 3.021 2 2 -11.3765595223942 661023 CCCCOC(=O)CSC1=NC2=C(C=C1C#N)C(=O)CC(C2)(C)C 1 3.661 2 3 -22.1296824663944 661022 CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCC4 1 3.726 4 2 -1.84957158940018 661021 CC(=O)NC1=C(C2=C(S1)C(NC(C2)(C)C)(C)C)C#N 1 1.684 3 1 0 -22.5791489815903 661020 COC1=CC=C(C=C1)C2=NN3C(=O)CC(SC3=N2)C4=CC=CO4 1 3.101 3 3 -4.3359437572012 661019 CCCCC1(CC(OC1=O)CN2CCOCC2)C(=O)OCC 1 2.097 1 5 -3.27695232289212 661018 CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)C(=O)CN4CCN(CC4)C 1 3.745 3 2 -0.695430725164783 661017 CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)N4CCN(CC4)C)C#N 1 4.367 5 0 -7.66117457801077 661016 CCC(CCC(=O)NC1=CC=C(C=C1)C(=O)OCC)C(=O)O 1 2.374 1 5 -13.3579478031301 661015 C1C[C@H](N(C1)C2=C3C4=C(CCC4)SC3=NC=N2)C(=O)O 1 2.818 3 2 -8.55683370715796 661014 CCNC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CC4=CC=C(C=C4)C 1 2.119 5 2 0 -20.7872130166096 661013 CC(C)C1CC(=O)NC(=C1C#N)SCC(=O)NC2=CC=C(C=C2)Br 1 3.106 3 2 -17.5590064794671 661012 COCCNC1=C(N=C(O1)C2=CC=C(C=C2)F)C#N 1 1.967 3 2 0 -1.62764707532267 661011 C1=CC=NC(=C1)CNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl 1 2.864 6 0 4.2089622449611 661010 C1=CC(=CN=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Cl 1 2.455 1 3 -9.263722966621 661009 COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CO4 1 3.217 3 4 0 -2.40718293671857 661008 CC1CCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3Cl)C#N 1 4.079 3 1 -2.48810965148224 661004 CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC=CS3)C)Cl 1 2.937 4 1 -9.63125357508282 661003 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)NC(=O)COC4=CC=CC=C4 1 3.674 3 3 -0.778577915284403 661002 CC1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)C 1 4.434 4 2 -3.61243829757718 661001 COC(=O)C1=CN(C(=O)C(=C1)Br)CC2=CC=NC=C2 1 0.583 2 3 0 -3.6140421583536 661000 C1COCCN1CCNC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 1.378 6 1 0 0.228465060192342 660999 CCCCCOC(=O)CC1=C(NC(=NC1=O)C2=CC=CC=C2)C 1 3.066 2 3 -11.6606150585515 660998 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5 1 4.201 3 5 0 -24.1942106665195 660997 CC1=C(C(=O)N=C(N1C2=CC=C(C=C2)NC(=O)C)C)C3=CC=CC=C3 1 2.148 3 2 -7.78468823631423 660996 CC1=NC2=NC=NN2C(=C1)NC3=CC4=CC=CC=C4C=C3 1 3.52 5 0 -6.65591939767303 660995 CC1=CC=C(C=C1)S(=O)(=O)NCCSC2=NN=NN2C 1 1.269 5 2 0 -16.2835452125357 660994 C1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCCCC5 1 3.103 2 2 -1.8359902363728 660993 C1=CC=C(C(=C1)CNC2=C(N=C(O2)C3=CC=CS3)C#N)Cl 1 4.094 3 1 -5.25552283848646 660992 C1CN(CCN1CC(=O)NC2=NC=C(C=C2)Br)C(=O)C3=CC=CC=C3 1 1.974 4 2 0 -10.3664444537096 660990 COC1=CC=CC=C1OCC(=O)NC2=C(C=C(C=C2)O)C(=O)O 1 1.821 1 6 0 -10.7848571954517 660989 CN(C)CCNC(=O)C1=COC(=O)C(=C1)Br 1 8.3e-002 2 3 0 -4.33026646142681 660988 C1=CC=C(C(=C1)CO)NC(=O)COC2=CC=C(C=C2)Cl 1 2.509 1 3 -4.08096602207418 660987 CC(C)CN1C=C(C=C(C1=O)Br)C(=O)OC 1 1.342 1 3 0 -6.18815246581666 660976 CC1=C(C(C(=C(O1)N)C#N)C2=CC=NC=C2)C(=O)C 1 0.339 3 2 0 -10.589483812152 660974 CCN1C=NC2=C(C1=O)C=C(S2)C3=CC=CC=C3 1 2.901 2 1 -3.10421884807514 660973 C1COCCN1C2=C3C(=NC=N2)OC4=C(CN3)C=C(C=C4)Br 1 2.85 4 2 -1.97296648201948 660972 C1=CC=C(C=C1)NC2C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O 1 3.34 2 4 -9.06744023902495 660971 CC1CCC(C(C1)OC(=O)CSC2=NNC(=O)NC2=O)C(C)C 1 2.613 3 4 0 -17.0440975878635 660970 CCCCN1C(=CC2=C1C=CC(=C2)O)C 1 3.561 1 1 -5.17001436524611 660968 CCCN1C2=C(CCCC2)C(=O)C(=C1O)C(=O)NC3=C(C=CC=N3)O 1 2.657 3 4 0 -8.90819588905124 660967 CC(C)OC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)Br 1 2.138 2 3 -6.06629031758138 660966 CCSC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CS2)C#N 1 2.696 2 2 -30.1869700491935 660965 CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)OC)OC)C#N 1 2.799 2 4 -17.7981505007145 660964 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 1.538 5 3 0 -14.6586705122067 660963 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CCC3=CC=CC=C3 1 2.163 4 4 0 -17.4994631863813 660962 CC1=NN=C(N1N=CC2=CC=CN2C)C 1 1.157 5 0 0 -3.07359857679754 660961 COC1=CC=CC(=C1)NC(=O)CCP(=O)(C)O 1 0.478 1 4 0 -5.72055984500353 660960 CC(C)C1C(=C(OC2=NNC(=C12)C(C)(C)C)N)C#N 1 3.212 4 1 -4.62192326797799 660959 COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)C(=O)C4=CC=CS4 1 2.921 3 2 -5.99562379757624 660958 COCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=NC4=CC=CC=C34 1 1.913 5 2 0 -7.43018912213409 660957 CC1=NC(=C(C(=C1)N(C)C)C#N)N2CCOCC2 1 1.392 4 1 0 -6.77387336265154 660956 CCCCCCOC(=O)CCN1C(=O)C2=CC=CC=C2C(=O)N1 1 2.443 2 4 -3.23816297307069 660955 CCCCOC(=O)C(C)C1=C(NC(=S)NC1=O)C 1 2.237 2 3 -16.1452129250067 660953 CC1=CC(=NN1CC2=CC=C(O2)C(=O)NCCC3=CCCCC3)C 1 3.5 3 2 -16.3306610881914 660952 C1CCC(=C(C#N)C(=O)O)C1 1 1.721 1 2 0 -3.14191705043634 660951 CC1=C(N(C2=CC=CC=C12)C(=O)CSC3=NC=CN3C)C 1 3.437 3 1 -2.73596372348728 660950 CC1=C(C2=C(N1C3=CC=CC=C3)C(=NC=N2)N)C#N 1 2.372 5 0 -2.73033473696198 660949 C1CCN(C1)C(=O)CC(C2=CC=C(C=C2)F)C3=CC=CO3 1 2.87 1 2 -8.95137054467782 660948 CCOP1(=O)C=C(OC1C2=CC=C(C=C2)F)C(C)(C)C 1 2.894 0 3 0.647153979324731 660947 CC(=O)NCC(=O)OCN1C(=O)C2=CC=CC=C2C1=O 1 -0.256 2 5 0 -11.3132277986671 660946 CCOC1=C(C=C(C=C1)Br)CC(=O)O 1 2.575 0 3 -3.95891214271759 660945 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2F)C3=CC=C(C=C3)S(=O)(=O)N)O 1 1.199 2 5 0 -23.0965204364152 660944 CC1=CC(=NN1C2CCCCC2OC(=O)C3=CC=CC=C3)C 1 3.842 2 2 -10.2222374202043 660943 CC1=C(C(=O)N=C(N1)SCC=C)CC=C 1 2.553 2 1 -13.1206927235952 660941 CN1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)Cl)C#N 1 3.23 4 1 -12.9726409658698 660940 COC(=O)CSC1=C(C(=O)NC2(S1)CCCCC2)C#N 1 2.081 2 3 -14.0278149211828 660939 CC1=CC2=C(C(=O)O1)S/C(=C(\C(=O)OC)/C(F)(F)F)/O2 1 1.957 0 5 0 -6.5474253429034 660938 CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 1.769 3 4 0 -15.1190338870575 660937 CC1(CC2=C(CO1)SC3=C2C4=NC(=NN4C=N3)C5=CC=CO5)C 1 2.612 4 2 -14.8666357605953 660936 CC1=CC(=NC(=N1)NC(=NC(=O)C(C)C)NC2=CC(=C(C=C2)OC)OC)C 1 2.971 5 3 0 -11.9295206977683 660935 CCOC(=O)C1=C(OC2=C(C1=O)C(=C(C(=C2F)F)F)F)C 1 2.888 0 4 -4.07537399498376 660934 C=CCN1C(=NN=C1SCC(=O)N)C2=CC(=CC=C2)Br 1 2.627 4 1 -11.1496688459272 660933 CC1=NN=C(S1)SCC2=CC=CC(=C2)C(=O)OC 1 2.545 2 2 -15.8635191053947 660932 CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=CS3)C(=O)OCC=C 1 2.918 2 3 -31.0665314791728 660931 CC1(CC(=CC(=O)C1)NC=C2C(=O)CC(CC2=O)(C)C)C 1 1.234 1 3 0 -17.8873438377283 660930 C1C2CC3CC1CC(C2)(C3)C(=O)[C@@H]4[C@H](C(=C(S4)N)C#N)C5=CC=NC=C5 1 2.963 3 1 -3.96402236121275 660928 C1CCCN(CC1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F 1 2.933 2 1 -1.56821027966787 660927 COC1=CC=CC=C1N2C(=NNC2=S)C3=CN=CC=C3 1 2.511 4 1 -6.14839483074369 660925 C1=CC=C(C=C1)N(CCC#N)C(=O)C2=CC=CO2 1 2.194 2 2 -9.57849485865988 660924 CC1(CC2=C(C(=O)C1)C3(C4=CC=CC=C4N(C3=O)CN5CCOCC5)C(=C(O2)N)C#N)C 1 1 4 4 0 -15.7971415833329 660923 COC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)OCC(=O)N)C(=O)OC 1 5.9e-002 3 7 0 -19.8847351816543 660922 COC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)Cl 1 3.429 2 3 -12.2734538353783 660921 C1=CN=C(N=C1)NC(=O)C2=CC=CS2 1 1.31 3 1 0 -7.02117646772261 660920 CC1=CC(=C(C(=O)N1)C#N)N(C)C 1 -0.201 3 1 0 -8.23317077146593 660919 CCN(CC)CCCNC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 3.196 2 2 -11.6472643525987 660918 CC1=NN(C=C1CNC(=O)C2=CC=C(O2)Br)C 1 1.517 3 2 0 -8.1757528831046 660917 CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC2=C(S1)CCCC2 1 1.852 3 3 0 -12.2493476790411 660916 C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)CN5CCCCC5 1 3.94 3 1 -6.18332543196083 660915 CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)O)OC)C3=NC=C(C=C3)Br)O 1 2.166 2 5 0 -16.9365047859964 660914 CCCCSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CS2)C#N 1 4.111 4 0 -9.44664728973571 660913 CCCCCC(=O)N(CN1C(=O)CCC1=O)C2=CC=CC=C2 1 2.406 2 3 -14.3533594082489 660912 CC1CN(CC(O1)C)C2CCN(CC2)C(=O)COC3=CC=CC=C3 1 1.632 2 3 0 -9.00222733256835 660911 CC1=C(C=CO1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.106 2 3 -3.3165212132727 660910 C1=CC(=CC=C1C2=CC=NC3=NC(=NN23)N)Cl 1 2.626 5 0 2.88522954961837 660909 CCOC1=C(C=CC(=C1)C2C3C(CCCC3=O)OC(=C2C#N)N)OCCN4CCOCC4 1 1.974 3 5 0 -10.6513516257248 660908 CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C)C2=CC=CC=C2 1 1.548 2 3 0 -18.5870155625324 660907 CC1=CC(=CC=C1)N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=CC=C3 1 3.163 5 0 -2.41530585474947 660906 CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)N3CCOCC3 1 1.364 2 3 0 -4.46183432838499 660905 CCOC(=O)NC1(C(=C(NC1=O)C)C#N)C(F)(F)F 1 0.637 3 3 0 -12.9085759926914 660904 CC1=CC(=CC=C1)N2C=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3CC6=CC=CO6 1 4.5 5 2 0 -5.96552307311299 660903 COCCCNC1=C2C=CC=C(C2=NC=C1)Cl 1 2.42 2 1 -3.53364216409316 660902 CC(C(=O)N1CCCCC1)N2C(=O)C3=CC=CC=C3C2=O 1 1.529 2 3 0 -14.313284364587 660901 C1=C(OC(=C1)C(=O)O)COCC(C(F)F)(F)F 1 1.741 0 4 0 -6.88496093322549 660900 CC1=NN=C(S1)SCC2=NC3=CC=CC=C3N2 1 2.398 4 0 -10.6412020080478 660898 COC1=C(C=C(C=C1)NC2=NC=NC3=C2C=NN3CC4=CC=CC=C4)OC 1 3.102 5 2 0 -2.99251057771204 660897 CC1=NC(=C(C(=C1)N(C)C)C#N)NCC2=CC=CC=C2 1 2.934 4 0 -6.60388730886079 660895 COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4)OC 1 2.951 3 3 -3.25637278513853 660894 CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5=CC=C(C=C5)OC)C(=O)N1CC6=CC=CO6 1 4.083 5 3 0 -11.6196713053392 660893 CC(C)COC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)Br 1 2.603 2 3 -4.69916034860955 660890 COC(=O)C1=CC(=C(C=C1N2CCOCC2)N3CCOCC3)S(=O)(=O)N4CCOCC4 1 0.189 3 7 0 -15.3540199874204 660889 C1=CC=C(C=C1)S(=O)(=O)C(CC(=O)C2=CC=C(C=C2)F)C3=CC=CO3 1 3.966 0 4 -5.85514150062867 660888 COC1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4 1 1.057 1 6 0 -9.61704385892332 660887 C1CN(CCC1C(=O)N)CCC(=O)NC2=CC=C(C=C2)Br 1 1.427 3 2 0 -2.86911153422882 660886 C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)N5CCOCC5 1 1.837 3 4 0 -14.2574237922 660884 CC(C)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N(CC=C)CC=C 1 3.509 4 2 -12.4956368788317 660883 CCOC(=O)CCC(=O)N1CCOCCN(CCOCC1)C(=O)CCC(=O)OCC 1 -0.626 2 8 0 -17.1907051871505 660882 CC1=NN(C2=C1C(=O)CCC2)CCO 1 0.614 2 2 0 -6.72756941581826 660881 CCCSC1=NC(=O)C(=C(N1)C)CC(=O)OCC 1 2.039 2 3 -18.8638220883747 660879 CC1=C(C=CC(=C1)OCC(=O)NN2C=NN=C2)Br 1 1.303 4 2 0 -5.9307992929093 660878 CC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)O1 1 1.802 1 3 0 -17.4794481672035 660877 CC1=CC(=O)OC(=C1C(=O)NCCC2=CC=CC=C2)C 1 2.356 1 3 -10.8789193747643 660876 C1=CC=NC(=C1)CSC2=NN=C(S2)SCC3=CC=CC=N3 1 3.225 4 0 -6.04641678038727 660852 CCOC(=O)C1C(C(C(CC1=NO)(C)O)C(=O)OCC)C2=CC(=C(C=C2)OC)OC 1 1.81 1 8 0 -11.3817920932149 660850 CCCCC1=NNC2=C1C(=O)CC(C2)(C)C 1 2.985 2 1 -6.5832501122065 660849 CN1C2=C(C=N1)N=NN(C2=O)C3=CC=CC=C3 1 2.35 5 1 -10.7815586526769 660848 CC1=CC=CC=C1N2CCN(CC2)CC3=C(C4=CC=CC=C4N3C)C#N 1 4.475 4 0 3.26231746553902 660847 CCOC(=O)CC1=C2C(C(=C(OC2=NN1)N)C#N)C3CCCC=C3 1 2.603 4 3 0 -9.7276832143453 660846 CCOC1=CC=C(C=C1)N=C(NC#N)SCC(=O)NC2CC2 1 2.226 4 2 -8.88233446267857 660844 COCC1=NN=C(S1)N 1 -0.446 3 1 0 -1.70471704550329 660843 COCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC3 1 1.879 4 3 0 -5.69819452604551 660840 COC(=O)C1=CC=CC=C1NC(=O)CC#N 1 0.865 2 3 0 -15.9616130096317 660839 CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC(C)C 1 3.086 4 4 0 -10.8592511766863 660838 CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)C 1 0.696 4 3 0 -16.2276634495804 660837 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCN3C(=O)C4=CC=CC=C4C3=O 1 1.481 2 6 0 -9.29482364089966 660836 C1COC2(O1)CC=C3[C@H](C2)[C@H](C(C(=C3C#N)N)(C#N)C#N)C4=CC=NC=C4 1 -0.403 5 2 0 0.592006659972276 660835 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)F)C3=CC=CC(=C3)C(=O)O)O 1 2.123 1 5 -19.8948941319932 660834 CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)OC)Br)OC 1 1.619 2 4 0 -11.4889608042642 660832 C1=CC(=CC=C1C=NO)OCC(COC2=CC=C(C=C2)C=NO)O 1 2.588 2 5 0 -0.186610919780343 660831 COC1(C2(C(C2(C(=N1)NC(=O)NC3=CC=CC=C3)C#N)C4=CC=CC=C4)C#N)OC 1 2.634 5 3 0 -3.86333335824226 660830 CCOC(=O)C1=C(N(C(=C1)C)CCC2=CN=CN2)C 1 1.421 3 2 0 -7.27994099801584 660829 C1=CC=C(C=C1)N=CC2=C(OC(=N2)C3=CC=CO3)OC(=O)C4=CC=CO4 1 4.024 2 5 0 5.69582096265085 660828 CCOC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OCC=C 1 4.127 5 3 0 -7.49942158806683 660826 COC1=CC=CC=C1C(=O)NCC2=CC=NC=C2 1 1.454 2 2 0 -9.74480629288413 660825 CCN(CC)C(=O)CSC(=NC1=CC=CC=C1F)NC#N 1 2.513 4 1 -9.19081963823457 660824 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CC1(CC(=O)C(C(C1C(=O)OC)C2=CC=CC=C2F)C(=O)OC)O 1 1.283 0 6 0 -9.2264504544472 660426 C1=CC=C(C=C1)N2C3=C(C=N2)C4=NC(=NN4C=N3)CSC5=NC6=CC=CC=C6S5 1 4.261 7 0 0 -4.90815931696267 660425 C1=C(OC(=C1)C(=O)O)COC2=C(C(=C(C(=C2F)F)F)F)F 1 3.527 0 4 -3.24014490028397 660424 CCCN1C2=C(CCCC2)C(=O)C(=C1O)C(=O)NC3=NC(=CS3)C 1 2.79 3 3 -10.9369715710547 660422 CC1=C(C=C(C(=N1)SCC(=O)OC)C#N)C(=O)C 1 1.368 2 3 0 -17.0409972032302 660421 C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC5=CC=CC=C54 1 3.892 3 1 2.01230872350091 660420 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CCN3CCSCC3 1 2.631 3 3 -4.90272512825658 660419 CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CSC=C3 1 0.872 5 2 0 -2.47812975923977 660418 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=NC=C4 1 0.536 2 2 0 2.56073903632196 660417 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=CC(=C3)OC)F 1 3.302 4 2 -7.1056289405445 660416 CSC1=NC=CC(=C1C#N)NC2=CC=CC=C2 1 3.189 3 0 -6.83470386999877 660415 CC1=C(C2(C3=CC=CC=C3N(C2=O)CN4CCOCC4)C(=C(O1)N)C#N)C(=O)OCC=C 1 0.921 4 5 0 -15.8741600156254 660414 COC(=O)C(CCCCN1C(=O)C2C3CC(C2C1=O)C=C3)N4C(=O)C5C6CC(C5C4=O)C=C6 1 0.98 2 6 0 -11.5738848963586 660413 C1CC2(CCC13C4CC5(CC=C4C(=C(C3(C#N)C#N)N)C#N)OCCO5)OCCO2 1 -0.59 4 4 0 -2.55790824396551 660411 CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC(C)COC 1 2.607 4 5 0 -10.7307005556732 660410 C1CCCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.431 2 2 -11.3937741573775 660409 CC(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)O 1 2.369 1 3 -4.48168390720059 660408 CC(C)(C)N1N=C(N=N1)CCC2=NN(N=N2)C(C)(C)C 1 1.594 8 0 0 -4.18776525929677 660405 CCOP(=O)(C1=CC=CC=C1Cl)C2(CCCCC2)O 1 3.189 0 3 -1.21457419453773 660404 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C3=CC=CO3 1 3.762 3 4 0 -11.1819952977234 660403 CC1=NN=C(S1)SCC(=O)NN2C=NN=C2 1 -0.639 6 1 0 -17.8676251563816 660402 CN1C2=C(C=CC(=C2)N(C)C)C(=CC1=O)OC 1 1.308 2 2 0 -1.98204661597277 660401 CC(=O)N(CC1=CC=C(O1)C(=O)OC)C2=CC=CC=C2 1 2.068 1 4 -4.79927531217844 660400 C1CCC(C1)CCC(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4 1 3.691 3 1 -1.98238438548178 660399 CC1=CC=C(C=C1)NC2C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O 1 3.826 2 4 -8.81339187412682 660398 COC(=O)C1=CC=C(C=C1)OCC(CN(CCO)CCO)O 1 0.218 1 6 0 -3.84042730915526 660397 CCCN(CCC)C1=NC2=CC=CC=C2N=C1C(C#N)C(=O)OC(C)COC 1 3.54 4 3 0 -9.57830116319296 660396 CC(C)NC1=NC(=C(S1)C(=O)C2=CC(=C(C=C2)OC)OC)N 1 2.345 3 3 -10.447109753034 660393 CC(=O)C1=CC(=CC=C1)NC2=NC(=O)C(S2)(CO)CO 1 0.641 2 4 0 -5.99261597704592 660392 CC(C(=O)N1CCOCC1)N2C(=O)C3=CC=CC=C3C2=O 1 0.299 2 4 0 -15.8815808143626 660391 CCN(CC)CC#CC(CNC(=O)OCC)N(CC)CC 1 2.657 3 2 -7.68029468009006 660389 CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C3=NN=NN3C(C)C)OC 1 2.467 5 5 0 -16.5804596631634 660388 CCOC(=O)CSC1=C(C=CC(=N1)C2=CC3=C(C=C2)OCO3)C#N 1 3.41 2 4 -12.0215488468896 660387 CN1C(=NN=C1SC)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3 1 3.684 4 1 -9.63754273413628 660386 CCCCC1=NC2=NNC(=C2C3=C1CCC3)N 1 2.952 4 0 -2.96619418721799 660385 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(N3C)SCC(=O)OC 1 3.386 4 3 0 -14.0115163136213 660384 C=C(C1=CC=C(C=C1)OCCO)C2=CC=C(C=C2)OCCO 1 2.748 0 4 -1.16336490960172 660383 C1=CC=NC(=C1)C=NN2C=NN=C2 1 0.322 5 0 0 1.54833500885597 660382 C1CN(CCN1CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4 1 2.844 4 1 -2.34555783627442 660379 C1CN(CCN1C2=CC=CC=N2)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 4.241 4 1 3.57192510505344 660377 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CCOC 1 3.1 4 3 0 -17.1607475656826 660376 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCCCC3 1 2.917 2 2 -10.4977645181413 660375 COC1=C(C=C(C=C1)N2C(=O)CSC23C4=CC=CC=C4NC3=O)OC 1 2.204 2 4 -10.0851464235802 660374 COCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=CC=C4 1 2.959 5 3 0 -2.16573921590563 660373 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)N(C)C)CCCCCC(=O)O)O 1 1.837 2 5 0 -25.9891012453997 660372 CNC(=O)C1=CC2=CC=CC=C2O1 1 1.633 1 2 0 -1.61814954769941 660371 C1=C(OC(=C1)C(=O)O)CSC(CC(=O)O)C(=O)O 1 0.828 0 7 0 -12.9031542527198 660370 CN1C2=C(C=N1)C(=NC=N2)NC3=CC=CC=C3Br 1 2.3 5 0 4.2649941527628 660367 CC1=CC(=CC=C1)N2C(=C(C=N2)C#N)N 1 1.799 4 0 0 1.23716160947261 660366 COC1=CC=CC=C1CN2C3=CC=CC=C3N=C2CCCO 1 3.276 2 2 -3.33790735395132 660364 COC1=CC=CC=C1NC(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)F 1 3.297 3 2 -4.40227536344808 660363 COCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)OC)N 1 3.09 4 4 0 -14.3452777429039 660362 CN1C(=C(C=N1)Br)C(=O)NC2=CC=CC=C2SC 1 2.846 3 1 -9.60457998890421 660361 CN1C(=NN=N1)SCC(=O)NCC(=O)C2=CC=CC=C2 1 0.539 5 2 0 -23.9290771172232 660360 C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC=C4)Cl 1 3.068 3 2 0.318484157537533 660359 CN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Cl 1 3.382 3 3 -15.4070915429646 660358 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCCCCC3)C=C2C#N)C#N)C 1 5.355 4 3 0 -30.0845241587979 660357 CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=C(CN(CC3)C)C=C2C#N 1 2.95 4 1 -19.7090433962694 660343 CCCCC1(C(=O)NC(=O)NC1=O)CN2CCCC2=O 1 0.303 3 4 0 -14.6456010051198 660342 COC1=CC=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)F 1 3.051 2 4 6.81861816239574 660341 CCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 4.186 5 4 0 -2.2771261644593 660340 CN1C(=C(C=N1)Cl)C(=O)N2CCC3=CC=CC=C32 1 2.501 3 1 -9.79297118945623 660339 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.56 2 6 0 -8.28039712674595 660338 C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C(=C2O)C(=O)NC4=CC=NC=C4 1 3.183 3 3 2.92300820156152e-002 660337 CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)C5CCCC5)C#N 1 4.761 5 0 -4.38403145907882 660336 CC1(CC2=C(CO1)C=C3C4=C(C(=NC=N4)N(CCO)CCO)SC3=N2)C 1 1.195 4 3 0 -13.1830120217047 660334 CCOP(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)C2(CCCCC2)O 1 3.553 0 3 -0.417228146317584 660333 CC1=CC=CC2=C1NC(=C(C2=O)Br)C 1 2.665 1 1 -5.61555640157199 660332 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CCN3CCCC(C3)C 1 3.213 3 4 0 -6.84412934357057 660331 CC1=CC(=O)C2=C(N1CC(=O)NC3=CC=CC=C3OC)C=CC(=C2)Br 1 3.448 2 3 -6.43460900426002 660329 CC1CN(CC(O1)C)C2CCN(CC2)C(=O)C3=CC=CC=C3 1 1.797 2 2 0 -7.88235847642332 660328 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCCCOC 1 1.943 2 4 0 -15.1887930778956 660327 CN(C)C1=CC=C(C=C1)C(=S)N2CCN(CC2)C3=CC=CC=C3 1 4.459 3 0 -1.86149808436831 660326 CCNC(=O)N(C(=O)NCC)N1C(=NN=C1C)C 1 -0.231 6 2 0 -5.49051165271853 660325 CCN1C=C(C(=N1)C)C=NO 1 0.937 3 1 0 2.71659900121211 660323 CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=CC=C(C=C1)O 1 3.476 2 2 -3.78788154984207 660321 CC1=CC(=NC(=C1C#N)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C 1 3.337 4 2 -0.829044518881117 660319 C1=CSC2=C1SC(=C2)C(=O)O 1 2.566 0 2 -1.10828007817435 660318 C1CCC2=C(C1)C(=O)C(=C(N2CC3=CC=CO3)O)C(=O)NC4=CC(=CC=C4)Cl 1 4.067 2 4 -7.14764889582821 660317 CCOP(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)C(C2=CC=CC=C2)O 1 3.846 0 3 -2.70109808132232 660316 CC1=C(C(=O)C2=C(N1)C=CC(=C2)Br)CN3CCOCC3 1 2.196 2 2 -5.14693106183199 660315 C1CC(OC1)CNC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 1 1.254 2 4 0 -12.303975500834 660313 CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCC4=CC=CC=C4 1 3.296 5 3 0 -12.6421344240647 660311 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C4C(=O)NC(=O)N4 1 2.937 4 2 -2.46444780697004 660310 CC1=NNC(=O)N=C1NCC2=CC=C(C=C2)Cl 1 1.594 4 1 0 -8.57113052929961 660309 C1COCCN1C(=O)CC(C2=CC=CC=C2)C3=CC=CO3 1 1.891 1 3 0 -13.4991126660666 660308 COC(=O)C1=CC=C(C=C1)C2NC(CS2)C(=O)O 1 -1.233 1 4 0 -15.3860408488494 660306 C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CS4 1 2.937 3 1 -4.06296286910028 660305 CN1C(=O)CC(C1=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl 1 2.397 3 2 6.15072474357219 660304 C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CO4 1 3.069 3 4 0 -2.25565734885207 660303 CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)C(C)(C)C)C 1 3.595 0 5 -10.5430720039385 660302 CCCC1=NN=C(S1)NC(=O)NC2=CC=CC=C2OC 1 2.364 4 2 -13.6275967105886 660301 CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C)C2=CC(=C(C=C2)OC)OC 1 1.515 2 5 0 -23.5005224031974 660299 C1CN(CCN1C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)C5CC=CCC5C(=O)O 1 3.481 4 3 0 3.98633342742129 660298 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(=O)C4=CC=C(C=C4)OC 1 0.911 5 5 0 -16.3887532195369 660297 CCOC(=O)CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4C=CN=C4C 1 3.865 5 2 0 -15.9937015461089 660296 CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCCCC3 1 4.388 3 2 -22.5572422180405 660295 CN1CCN(CC1)C2=NC3=C(N2CC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)N(C(=O)N3C)C 1 2.078 6 3 0 -9.20718488070292 660293 CC1=C(C=C(C=C1)NC(=O)CN2C(=CC(=O)C3=C2C(=CC=C3)OC)C)C 1 3.672 2 3 -7.09061398419102 660292 CCOC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CO3 1 3.406 3 2 -3.51966043161045 660289 C1=CSC(=C1)C2=C(C(=NC(=C2C#N)SCC3=CC=NC=C3)N)C#N 1 3.215 5 0 -10.5943556077187 660287 CC(C)(C)C1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OC)OC)C#N 1 2.722 3 3 -10.1251468248187 660286 CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC)CC=C 1 2.352 3 4 0 -15.5874385621318 660285 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCCC3 1 1.958 2 3 0 -10.9107307272855 660282 C1C=C2[C@H](CO1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CSC=C3 1 0.351 4 1 0 0.573481605772377 660281 CC(C)CC1=C2COC(CC2=C(C(=N1)NCCN3CCOCC3)C#N)(C)C 1 2.378 4 2 -9.75395406893844 660280 CN1C(NC2=C(C1=O)C3=C(S2)CCCC3)C4=CC=CC=C4O 1 3.582 2 2 -6.14129054431532 660279 CC1(CC2=C3C(=NC(=C2CO1)C4=CC=CC=C4)NNC3=O)C 1 1.966 3 2 0 -4.95686474966123 660278 CCOC(=O)NC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CN=CC=C2)C#N 1 1.907 4 5 0 -38.0494815374458 660277 COC1=CC=C(C=C1)N2CCN(CC2)C3CC(=O)NC3=O 1 0.846 3 3 0 -1.20748668431923 660276 CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4C(=CC(=N4)C)C 1 4.837 5 0 -10.7662865252613 660274 CCOC1=CC=CC(=C1)NC(=O)C2CC(=O)N=C(S2)NC3=CC=CC=C3 1 3.234 3 3 -8.24911687271487 660273 CC1=CC(=NC=C1)N2CCN(CC2)C3=C4CCCC4=C(C5=NC6=CC=CC=C6N35)C#N 1 4.857 6 0 -6.98655720336263 660272 CCOC(=O)CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4C=CN=C4 1 3.604 5 2 0 -16.4383838589934 660271 CC1=NC2=CC=CC=C2C(=C1)C3=NC4=CC=CC=C4O3 1 3.749 2 1 8.6074915181224 660270 CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)OCC)C(=O)OCC 1 2.614 2 6 0 -30.6693889524582 660269 COC1=C(C=C(C=C1)CCNC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CS3)C#N)OC 1 3.714 5 3 0 -23.3691985852639 660268 C=CCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=CC=C4 1 3.706 5 2 0 -3.59334758337787 660267 C1=CC=C(C=C1)C2=C(C(=C(N2C3=CC=C(C=C3)C(=O)O)N)C#N)C#N 1 3.281 4 2 -4.57165991232265 660266 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC=CC=N3 1 1.181 3 2 0 -3.07099690120113 660265 CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)OC 1 2.273 1 5 -12.0732846657767 660264 CN1C(=NN=C1SCC(=O)O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3OC 1 2.658 4 4 0 -16.3844742609156 660263 CCOP(=O)(C#CC(C)(C)C)C1(CCCCC1)O 1 2.698 0 3 -2.74944929626404 660262 C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C5=NC=CC=N5 1 1.816 6 1 0 9.18278434077943 660261 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 2.684 4 4 0 -14.8664275462955 660260 CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5=CC=CC=C5)C(=O)N1CC6=CC=CO6 1 4.099 5 2 0 -12.189932997987 660259 CC1=C(C=C(C=C1)NC(=C2C(=O)CCC2=O)C)C 1 2.595 1 2 -4.70390770647987 660258 CC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CC=N3)Cl 1 3.573 3 1 6.46037034931908 660257 COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC3 1 2.01 4 2 -4.46340966892093 660256 C1CCCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.095 2 2 -8.6757658275545 660255 CCOCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C 1 0.995 4 3 0 -11.4773093048625 660254 COC1=CC=CC(=C1)C(=O)NC2=C(NC3=CC(=C(C=C32)OC)OC)C(=O)OC 1 3.005 2 6 0 -8.39147967057251 660252 COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4)OC 1 2.904 4 5 0 -6.67019590978791 660251 COC1=C(C=C(C=C1)C(=O)COC(=O)CN2CC(=O)OC3=CC=CC=C32)Br 1 3.14 1 6 0 -11.1530861621318 660250 CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C 1 1.756 5 2 0 -1.99721656278822 660249 CCOC(=O)CCC1=C(C(=C2NC3=CC=CC=C3N2C1=O)C#N)C 1 2.636 3 3 -13.5571214105468 660248 CCOC(=O)CNC(=O)C1=C(C2=C(S1)N=C(C=C2C)C)N 1 1.317 3 3 0 -12.5208844565473 660247 CC(C)(C)C1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)OC)C#N 1 2.738 3 2 -4.43425470333733 660245 CCCCCCN1C2=CC=CC=C2N=C1C(C)NC(=O)C3=CC=CO3 1 4.656 3 2 -10.2550835691558 660244 C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)NC3CC3)C#N 1 1.621 4 2 0 -24.3867802747571 660243 C1C2=CC=CC=C2C(=O)N1CCNS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.221 2 3 -9.43808308981784 660242 CC1=CC2=C(C=C1)NC(=C2NS(=O)(=O)C3=CC=C(C=C3)F)C(=O)OC 1 3.449 2 4 -1.77320220839187 660241 C1CC2=C(C1)N=C(C(=C2)C#N)SCC3=CN=CC=C3 1 3.136 3 0 -13.0304271979102 660240 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC=C)C(=O)CCC(=O)O 1 0.721 2 6 0 -16.8046182762298 660239 CCOP(=O)(C#CC(C)(C)C)C(C)(C1=CC=CC=C1)O 1 2.93 0 3 -2.63894075603083 660238 CCN1CCC2(CC1)C(=C(OC3=C2SC4=C3C(=CC(=N4)C)C)N)C#N 1 2.852 4 1 -0.940078928415425 660235 CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C#N 1 4.63 6 1 0 -18.836585811251 660234 CCOC(=O)C1=C(N=C2N(C1C3=C(C=CS3)C)C(=O)CCS2)C 1 3.136 2 3 -24.3705477216755 660233 CCOC(=O)CN1C(=O)C2=C(N=C3N2CCN3CC4=CC=CC=C4)N(C1=O)C 1 1.441 5 4 0 -12.6746518849298 660232 C1OC2=C(O1)C=C(C=C2)N3C(=O)[C@@H]4[C@H]5C=CC6=CC=CC=C6N5[C@@H]([C@@H]4C3=O)C(=O)C7=CC=CC=C7 1 3.851 2 5 0 3.29186962185629e-002 660230 CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=CN34)CC5=CC=CC=C5 1 3.225 4 2 -10.4832039245865 660229 CCCSC1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)F 1 3.158 4 1 -13.3118732866658 660228 CC1=C(SC(=N1)N)C(=O)NC2=CC=CC=C2C(=O)OC 1 1.294 3 3 0 -9.00880546540406 660213 CC(C)(C)C1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C=C2)OCO3)C#N 1 2.523 3 3 -7.76244868770284 660212 C1COCCN1C2=NC=C(C(=N2)NCC3=CC=CC=C3)F 1 1.466 4 1 0 0.892709260379151 660211 COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.69 4 3 0 0.688175498541825 660210 CC1(CC2=C3C(=NSC3=NC(=C2CO1)N4CCOCC4)N)C 1 1.733 4 2 0 -9.6121620623135 660209 CCOC(=O)C1=CC=C(C=C1)NCC(COC2=CC=CC=C2)O 1 2.964 1 4 -9.48508956807972 660208 CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)CC(=O)OC)C 1 1.712 3 3 0 -10.2902203477233 660207 CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=C(C=C3)OC)[O-] 1 1.962 2 4 0 -6.18861201789792 660206 CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC)C#N 1 2.832 2 2 -15.5223419163679 660205 CCOC(=O)CON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC(=C(C=C3)OC)OC)[O-] 1 1.653 2 7 0 -16.0194732073805 660204 CCC1=C(C=C(C(=N1)SCC2=CN=CC=C2)C#N)C 1 3.507 3 0 -9.90655398290914 660202 CN(C)CCN1C2=CC=CC=C2C3=CN=C(C(=C31)C#N)N=CN(C)C 1 1.797 6 0 0 -1.68200101220956 660201 C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2N=CC4=CC=CO4 1 3.575 3 3 -5.04500535068689 660200 CC(C)(C)C1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C=C2Br)OCO3)C#N 1 3.271 3 3 -6.0166134350673 660199 CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)CN3CCSCC3 1 2.933 2 1 1.99346709319823 660196 C1=CC(=CC(=C1)Cl)C2C(=C(C(=O)N2C3=NC=CC=N3)O)C(=O)C4=CC=CO4 1 2.764 3 4 0 -13.7913614854037 660195 C1CCC(C1)(C2=CC=CC=C2)C(=O)NCCO 1 1.953 1 2 0 -9.37940815522944 660194 CCCCCCN1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)C)C 1 2.636 5 2 0 -20.6665346022908 660193 CC1=CC=C(C=C1)/C(=C/2\C(=O)N=C(S2)N3CCOCC3)/C 1 3.029 2 2 -6.89881629376983 660192 C1=CC=C(C=C1)CNC(=O)C2=NNC(=O)C=C2 1 0.711 3 2 0 -15.3954502912983 660191 CCCCNC(=O)NC1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O 1 2.483 2 4 -11.9896158856709 660188 CC1=C(C2=CC=CC=C2N1)C(=O)CN3CCCCC3CCO 1 2.483 2 2 0.693268149074954 660187 C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl)SCC(=O)O 1 2.301 1 4 -5.48815434349268 660186 C1=COC(=C1)CNC(=O)C2=COC(=O)C=C2 1 0.257 1 4 0 -11.7478684702336 660185 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4 1 2.641 2 3 -2.7976386056039 660183 CC(=O)C1=C(C[C@@H]2[C@H]1C2(C)C)NC(=O)C3=CC=CC=C3F 1 2.22 1 2 -10.467759466251 660182 CC1=C(C(=CC=C1)C)OCC(=O)NN2C(=NC3=CC=CC=C3C2=O)C 1 2.676 3 3 -12.1924742804058 660181 CCCCOC1=CC=C(C=C1)C(=O)NN2C=NN=C2 1 1.545 4 2 0 -7.78344310161238 660180 COC1=C(C=C(C=C1)C2C(=C(SC(=C2C#N)N)N)C#N)OC 1 1.43 4 2 0 -10.0914345679753 660179 COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)OC3=CC=CC=C3 1 3.61 2 4 -4.0764595605705 660178 CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)CN3CCN(CC3)C4CCCCC4 1 4.316 3 1 4.65977082512376 660177 CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.517 3 5 0 -1.07860566440904 660176 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(O3)Br 1 2.363 1 4 -8.8538676955013 660175 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CC1=CC(=CO1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)Cl 1 3.729 3 1 -1.34385037604545 660119 CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)CN3CCN(CC3)C4=CC=CC=C4OC 1 4.114 3 2 3.4358547614569 660118 CC1=COC2=C(C=C3C4CCCNC(=O)C4(OC3=C12)N5CCCCC5)O 1 3.178 2 4 -9.28181546495904 660117 CCCC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=NC=C3)C 1 1.891 5 1 0 -7.01982572784153 660115 CCOC1=CC=CC=C1[C@@H]2[C@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC 1 1.543 5 3 0 -3.4287887148972 660114 CCOP(=O)(C#CC(C)(C)C)C(C1=CC=CC=C1)(C(F)(F)F)O 1 3.976 0 3 -2.8687718656988 660113 CCN1C(=C(SC1=S)C(=O)OCC)NC(=O)C2CC2 1 2.768 2 3 -9.10600595676408 660112 C1=CC=NC(=C1)NC(=O)C2=NNC(=O)C=C2 1 9.2e-002 4 2 0 -11.1238604331851 660111 C1COCCN1C(=O)NCC(F)(F)F 1 0.27 2 2 0 -11.5189744089184 660110 CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4)N=CN(C)C)C 1 1.474 7 1 0 -2.99393487345604 660109 COC1=C(C=C(C=C1)N2CC(=O)N(CC2=O)C3=CC(=C(C=C3)OC)OC)OC 1 1.618 2 6 0 -8.71950952620405 660108 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N 1 1.955 5 0 0 5.40125972560823 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COC1=CC=C(C=C1)C(=O)CSC2=C(C3(CCCCC3)C(=C(N2)N)C#N)C#N 1 3.305 4 2 -10.8403751267111 660079 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)Cl)C4=NC=CC=N4)O 1 2.909 3 4 0 -10.9593042600959 660078 CCOC(=O)C1CCN(CC1)CC(=O)C2=C(NC3=C2C=CC(=C3)C)C 1 3.177 2 3 -0.97091827347074 660077 CCCC1=NN=C(N1N)SCC2=CC=C(C=C2)OCC 1 3.085 4 1 -11.6549193892858 660076 CCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CO4)C#N 1 3.606 3 3 -36.8529899233076 660075 COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.147 3 6 0 -2.88481131134127 660074 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C(C)N3CCC4(CC3)OCCO4 1 2.278 3 6 0 -12.6061033566794 660073 CN1C(=C(C(=C1N)C#N)C#N)C2=CC=CC=C2 1 2.075 4 0 -1.72622676486512 660071 COC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC=C)[O-] 1 2.23 2 4 -9.77975795491912 660070 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 4.067 3 3 -7.0962355883893 660069 CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC4=C(C=C3)OCO4)C#N)C 1 3.422 3 4 0 -22.5016350554991 660068 CC1=C2C(=NN1)OC(=C(C23CCOCC3)C#N)N 1 0.392 4 2 0 -5.60986183050463 660067 CCOP(=O)(C1=CC=CC=C1)C2(CCCC2)C#N 1 2.777 1 2 -5.52586767885027 660066 CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC(=C(C=C3)O)OC 1 2.234 1 7 0 -21.5640261885153 660065 C1COCCN1C2=NC3=CC=CC=C3C(=N2)N 1 0.931 4 1 0 2.63645805616505 660064 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC(=C(C=C3Cl)Cl)Cl 1 2.529 5 3 0 -17.4001432817659 660063 CC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N4C2=NN=C4C 1 3.781 4 1 -0.972063192353925 660062 CC1=NN=C2N1C3=C(C4=C(S3)COC(C4)C(C)C)C(=O)N2CC5=CC=CC=C5 1 3.486 4 2 -11.753012224045 660061 COC1=CC=CC(=C1)NC(=O)CSC2=NC3=C(CCCC3)C(=C2C#N)C4=CC=CO4 1 4.693 3 3 -13.0715376511578 660060 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)Cl)C4=NC=CC=N4)O 1 2.909 3 4 0 -12.1386980345931 660059 C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)NCCCCCC(=O)O 1 2.295 5 3 0 -16.1589943684504 660058 C1=CC=C(C=C1)CN2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC6=CC=CO6 1 4.02 5 2 0 -9.43058079919188 660057 C1COCCN1CC#CCOCCO 1 -7.3e-002 1 3 0 -2.92149762552177 660056 CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC4=C(C=C3)OCO4)C#N 1 2.782 3 5 0 -23.2930716974895 660055 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.052 2 3 -8.3066460248523 660054 COC(=O)C1C(C(=C(NC1=O)SC)C#N)C2=CC=CC=C2 1 1.877 2 3 0 -16.4629484278074 660053 CC1=CC=C(C=C1)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CN=CC=C4 1 3.383 5 1 -5.90713001867269 660052 CC1=CC=CC=C1NC(=O)CSC2=NC3=C(CCCC3)C(=C2C#N)C4=CC=CO4 1 5.195 3 2 -15.5799696126937 660051 CCCCSP1(=S)NCCCN1 1 1.58 2 0 0 -5.35337972884468 660050 CCN1C(=O)C2=C(SC(=C2N=N1)C(=O)OCC)C 1 2.484 3 3 -14.8870243403039 660048 CC1=C(C2=C(N1C3=CC=CC=C3)C(=O)N(C=N2)CCCN(C)C)C#N 1 2.349 5 1 -5.20336227083931 660047 CCOC1=NC(=NC(=N1)OC2=CC=CC(=C2)C(=O)O)OC3=CC=CC(=C3)C(=O)O 1 4.221 3 7 0 -3.73295459074467 660046 C#CCOC(=O)C1=CC=CC=C1C(=O)OCC#C 1 3.925 0 4 -7.50873983451241 660045 COC1=CC=CC=C1NC=C2C(=O)OC3(CCCCC3)OC2=O 1 2.602 1 5 -6.3827577254609 660044 CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)O)C)C)NC#N 1 2.693 2 4 -10.4495490273966 660043 C1COCCN1C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCC4=CC=CO4 1 1.355 5 3 0 -10.0782492788595 660042 CCOC(=O)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3 1 2.017 4 4 0 -16.4248309963307 660040 CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC3=C(C=C2)OCO3)C#N 1 1.869 2 5 0 -23.7336815303704 660039 CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)CN3CCCCC3CCO 1 2.97 2 2 2.61456506771972 660038 CCCSP1(=S)NCCCO1 1 1.585 1 1 0 -6.60251154055539 660037 C1C2CC3CC1CC(C2)(C3)N4C=NC(=N4)Cl 1 2.794 3 0 1.9527070119251 660036 C1=CC=C(C=C1)CC(=O)N[C@H](C2=CC=CC=C2)P(=O)(CO)O 1 1.727 1 4 0 -9.53134875692366 660035 CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)CN3CCN(CC3)C4=CC=CC=C4 1 4.13 3 1 5.36851568993286 660034 C=CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC4=CC=CC=C4O3)[O-] 1 2.842 2 4 -5.4475685559569 660033 CC(C1CC1)N(C2=CC=CC=C2)C(=O)NC3CCS(=O)(=O)C3 1 1.857 2 3 0 -12.2410603932801 660032 COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)OCC=C 1 3.315 2 4 -5.77536274090571 660031 COC1=C(C=CC(=C1)SC)C(=O)N2CCC(CC2)C(=O)OC 1 2.096 1 4 -5.44567125803924 660030 C/C(=C\1/[C@H]2[C@H](C2(C)C)CC1=O)/NC(=O)C3=CC=CS3 1 2.111 1 2 -7.09751357932791 660029 COC1=CC=CC(=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CO4)C#N 1 2.647 3 4 0 -36.7672068285097 660028 CC1=CC(=NC2=CC=CC=C12)NCCNC3=CC(=O)CCC3 1 2.587 3 1 -2.10839894720925 660027 CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)N3CCN(CC3)C4CCCCC4 1 4.444 4 3 0 -6.07246335414829 660026 CC1=NN=C(N1N)SCC2=CC(=C(C=C2)OC)Br 1 2.361 4 1 -11.5065331931848 660025 CC1=CC(=O)OC(=C1C(=O)N2C3=C([C@H]4[C@@H](C3)C4(C)C)C(=N2)C)C 1 2.685 2 3 -9.71474047572563 660024 CC(=O)NC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC=CC=C3 1 2.471 2 2 -13.7045646034599 660023 C1=CC=C(C=C1)CCP(=O)(CCCP(=O)(CCC2=CC=CC=C2)O)O 1 2.91 0 4 -1.34988664893171 660022 C1CC2=C(C(C(=C(O2)N)C#N)CCC3=CC=CC=C3)C(=O)C1 1 2.765 2 2 -13.6226407900057 660021 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)OC(C)C 1 2.211 3 4 0 -8.08383295652789 660019 COC(=O)CC1(C(=O)NC(=O)NC1=O)CC2=CC=CC=C2 1 0.724 2 5 0 -9.78121310848081 660018 COC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.536 2 4 -5.34925943983416 660017 C1CCC(CC1)N2C(=NNC2=S)C3=CC=CO3 1 3.355 3 1 -4.84163745833524 660016 CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)OC)C#N)SCC(=O)OC)C 1 2.516 2 6 0 -36.2352861522622 660015 CC1(OC(=O)C(=CNC2=CC=CC=C2F)C(=O)O1)C 1 1.433 1 4 0 -5.96307951761487 660014 CCOC(=O)CCNC1=NNC(=O)NC1=O 1 -1.133 4 4 0 -22.5832405369825 660013 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NCC3=CC=CO3 1 3.678 2 3 -17.1028603311615 660012 C1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 3.135 5 0 1.31541802708426 660011 CC1=CC(=NC(=C1C#N)N2CCSCC2)C 1 2.46 3 0 -4.38067355936351 660010 C/C(=C(\C#N)/C(=O)NCCCN1CCOCC1)/N(C)C 1 -0.23 4 2 0 -18.3888570322603 660009 CN(CC1=CC=CC=C1)C2=NC=NC3=C2C=C(C=C3)Br 1 3.801 3 0 5.5277708422748 660008 CCN1C(=O)CC(C1=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 1.401 3 3 0 3.16989645801513 660007 CC1=C(NN(C1=O)C2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=CC=C4 1 1.83 3 3 0 -3.11404036645882 660006 CCOC(=O)C1C(NC(=O)N(C1(C(F)(F)F)O)C)C2=CC=CC=C2Cl 1 2.532 2 4 -7.00424327559119 660004 CCC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC(=C2)OC)OC)C(=O)OC 1 2.105 2 5 0 -14.4606351351162 660003 CC1=CC(=NC2=CC=CC=C12)SCCC(=O)O 1 3.313 1 2 -3.78838995461344 660002 CCOC(=O)CSC1=NC(=O)C(=NN1)C 1 0.607 3 3 0 -17.2576596950185 660000 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCSCC3)F)C(=O)OCC 1 2.88 2 3 -3.46446760931054 659999 C1=CC=C(C=C1)OC(=O)C2=C(C=CC=C2Cl)P(=O)(O)O 1 3.09 0 5 -6.03380132774594 659998 CC(C)C(C(=O)NC1=NC=NN1)N2C(=O)C3=CC=CC=C3C2=O 1 1.127 5 3 0 -13.2619385492157 659997 CC1(OC(=O)C(=CNC2=C(C=CC(=C2)OC)OC)C(=O)O1)C 1 1.195 1 6 0 -7.0296010314538 659996 CSC1=C(C=C(C(=O)N1)C(=O)O)C#N 1 0.328 2 3 0 -9.08306423402949 659995 CCCCOC1=NC(=NC(=C1)C)NCC2=CC=CC=C2 1 3.626 3 1 -3.44586421984929 659994 C1CCC2(CC1)OC(=O)C(=CNC3=CC4=C(C=C3)OCO4)C(=O)O2 1 2.386 1 6 0 -7.86568537115988 659991 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35 1 4.116 2 3 -5.1194806791277 659989 CC1CN(CCN1C2=CC=C(C=C2)OC)CC(C3=CNC4=C3C=C(C=C4)OC)O 1 3.66 3 3 -3.36599558512901 659988 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CO4)C#N 1 2.403 3 4 0 -40.3282343183252 659987 CCCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC3=C(C=C2)OCO3)C#N 1 2.393 2 5 0 -22.2901242790513 659986 COC(=O)CCP(=O)(CC1=CC=CC=C1CP(=O)(CCC(=O)OC)O)O 1 0.468 0 8 0 -8.2620790416017 659985 COC1=CC(=C(C=C1)OC)NC=C2C(=O)OC3(CCCCC3)OC2=O 1 2.585 1 6 0 -6.09774644813004 659984 CCOC(=O)CCP(=O)(C(C1=CC=C(C=C1)OC)O)O 1 1.141 0 6 0 -8.59258982053846 659983 CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CC=C 1 1.313 4 3 0 -22.6092926135619 659982 CCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C 1 2.717 4 4 0 -11.4091363147024 659981 CCOC1=CC=CC=C1NC=C2C(=O)OC(OC2=O)(C)C 1 1.56 1 5 0 -8.10786305766465 659980 CC1=C(C2=C(S1)C(=O)N3CCCCCC3=N2)C(=O)NCCCN4CCOCC4 1 1.398 4 3 0 -17.1289868334803 659979 CC1=NNC(=NC1=O)SCC(=O)OC 1 0.258 3 3 0 -16.4347255569513 659978 CC1=CC=C(C=C1)P(=O)(CC(=O)O)C2=CC=C(C=C2)C 1 3.854 0 3 -4.59770620928852 659977 CCCCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC3=C(C=C2)OCO3)C#N 1 2.849 2 5 0 -23.6539790895273 659976 C1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2C=CNC3=O 1 2.158 1 3 -9.44322497239023 659975 C1CCC2(C1)CC3=CC=CC=C3C4=NN=NN24 1 2.398 4 0 -6.49053221519441 659974 CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4)N)C 1 1.219 6 1 0 -2.20897660499999 659973 CCOC(=O)CSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=C(C=C2)C)C#N 1 2.419 2 5 0 -26.1020059285575 659972 CC1=C(C=C2C(=C1)CC(N3C2=NN=N3)(C)C)C 1 2.695 4 0 -6.80895699768261 659969 CC1=CC=CC=C1NC(=O)NCCC2=NC3=CC=CC=C3N2 1 2.973 4 1 -10.2084392974555 659955 C[N+]12CCC(CC1)C(C2)(C#N)N3CCOCC3.[I-] I- 1 -1.011 3 1 0 -5.87039778485539 659952 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl 1 3.707 3 2 11.096925141591 659951 C1=CC(=CC(=C1)Br)C2=NNC(=S)N2N 1 2.152 4 0 -2.31465046692213 659949 CC1=NN(C(=N1)C(C)(C)O)C2=CC=CC=C2 1 1.712 3 1 0 1.07278658397592 659948 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(C)C)C(=O)C3=CC(=O)NC4=CC=CC=C43 1 2.022 4 3 0 -16.6175041089331 659947 CC1=CC=C(O1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=CO4)S3)C)C(=O)NC5=CC=CC=C5 1 3.862 3 4 0 -25.8321866959557 659946 CCCCCC1=NC2=C(C3=C(S2)CCC3)C(=O)N1N 1 3.086 3 1 -15.8324304785678 659945 COC1=CC=C(C=C1)C(O)P(=O)(CCC2=CC=CC=C2)O 1 2.742 0 4 -1.47934330121608 659944 C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC(=C3C#N)C#N)C4=CC=CC=C4 1 4.584 5 0 -0.390882527910867 659943 CN(C)C1=NC(=NC(=N1)SC)OC2=NNC(=O)C=C2 1 1.238 6 2 0 -11.8638185522706 659942 CC1=C(C2=CC=CC=C2N1C)[C@H]3[C@H](C3(C)C)CC#N 1 3.434 2 0 -1.05663543395641 659941 CCCCCCOC1=CC=C(C=C1)C(=O)N2C=NC(=N2)N 1 3.243 4 2 -3.53093062201802 659939 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=CC=NC=C4 1 2.723 2 2 -4.73248665666959 659938 CC(C)(C)C1=NN=C2N(C1=O)N=C(S2)SCC(=O)C3=CC=C(C=C3)OC 1 4.585 4 3 0 -7.04882964299264 659934 CCOC(=O)C1=[N+](C2=C(C=CC(=C2)C)N(C1=O)O)[O-] 1 0.753 2 5 0 -4.59229395858555 659933 CCCCSP1(=S)NCCCO1 1 2.041 1 1 -6.18681808753244 659932 CC1=CC(=NC(=N1)CC(=O)N)C 1 -0.245 3 1 0 -5.16044444448875 659931 C1=CC=C(C=C1)OCCSC2=NN=C(S2)N 1 2.272 3 1 -5.84057874538518 659930 C1=CC(=C(C=C1Cl)C2=CC=C(O2)C=NC3=NC=NN3)Cl 1 4.262 4 1 5.48444308444835 659929 C1CN(CC2=C1NC3=C2C=C(C=C3)Br)C(=O)CN4CCSCC4 1 2.723 3 1 -1.85240637351752 659927 CCCCC(=O)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC=N3 1 3.025 3 2 -0.29626103851841 659926 CC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=NC=CS1 1 2.192 3 1 -8.45531550729839 659925 CN1CCN(CC1)C(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O 1 2.139 2 3 -5.0788972311147 659924 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=CN=C3)Br 1 1.98 2 3 0 -6.81105249908633 659923 C1=CC(=C(C(=C1Cl)C(=O)NC2=NC=NN2)Cl)Cl 1 2.909 4 1 -7.67277083310085 659922 CC(C)CC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2 1 3.776 2 2 3.27305149852633 659918 CCCOC1=CC=CC(=C1)C2=NN=C(S2)N 1 2.338 3 1 1.84391809181838 659917 CCCCNC1=NC(=NC(=C1)C)NCC2=CC=CC=C2 1 2.978 4 0 -2.2969551346566 659916 CC(C)COC(=O)CCNC1=NNC(=O)NC1=O 1 -0.29 4 4 0 -22.7565429544137 659915 C1=CC(=C(C=C1CC2=NN=C(S2)N)Cl)Cl 1 2.846 3 0 -0.704149387650227 659914 C1=CC=C2C(=C1)C(=O)N(C(=O)N2)C3=CC(=CC=C3)Cl 1 3.011 2 2 -1.28412316946542 659913 CC1=CC2=C(C=C1)OC(=N2)C3=CC=CO3 1 3.162 1 2 9.02929348802701 659911 CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCC4=CC=C(C=C4)OC 1 2.426 6 2 0 -3.67184306820986 659910 CC1=CC=C(O1)C2=NC3=CC=CC=C3NC(C2)(C)C4=CC=C(O4)C 1 4.048 2 2 -1.39673771844485 659909 CC1(CC2=C(C(=NC(=C2CO1)C3=CC=CO3)NCC4=CC=CO4)C#N)C 1 3.002 3 3 -5.0669241879583 659908 C1=CC=C(C=C1)CNC(=O)CC2=NN=C(S2)N 1 0.79 4 1 0 -10.7967354008719 659907 CC(C)OC(=O)CCNC1=NNC(=O)NC1=O 1 -0.755 4 4 0 -22.8333507753314 659906 C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCOC(=O)C4=CC=C(C=C4)Cl)N)C#N 1 3.846 5 2 0 -14.849270502032 659905 CCCCP(=O)(CCC(=O)O)O 1 0.668 0 4 0 -7.69677540408477 659904 COC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=C(O3)Br)C(F)(F)F 1 4.416 3 3 -8.19483690241855 659903 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.784 2 2 -15.2377908762526 659902 CC1CCCCN1C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.233 4 0 4.78832619359674 659901 CCCCNC(=O)NC1=CC=C(C=C1)C(C(=O)OCC)(C(F)(F)F)O 1 2.832 2 4 -11.9817951436208 659900 COC1=C(C=C(C=C1)CC(=O)NCC2=CC=CC=N2)OC 1 1.688 2 3 0 -15.2144444229447 659899 CCOC(=O)NC(C(=O)C1=CC=CS1)O 1 1.454 1 4 0 -9.60861058021919 659898 COC1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3O2 1 3.84 0 4 -0.425556255676825 659896 C1=CC=C(C=C1)CCP(=O)(CCCCP(=O)(CCC2=CC=CC=C2)O)O 1 3.49 0 4 -1.34988664893171 659895 CCOC(=O)C(C1C(=O)CC(CC1=O)(C)C)(C(F)(F)F)O 1 1.304 0 5 0 -7.53392998007539 659894 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3 1 2.285 3 5 0 -10.88809365944 659893 CC1=CC(=NN1C2=C(C(=C(C(=C2F)F)CN3CCCCC3)F)F)C 1 4.297 3 0 -0.952849525827622 659892 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC3=CC=CC=C3O2 1 2.92 1 6 0 -7.27775210981329 659891 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F 1 1.218 2 5 0 -5.33122734981237 659889 C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCNC(=O)C4=CC=CS4)N)C#N 1 2.488 6 1 0 -19.0081443220478 659888 CCC1=CC=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC4=C(C=C3)OCO4)C#N 1 3.392 3 4 0 -22.3533204724164 659887 C1CN(CCC12OCCO2)C3=NC=NC4=C3NC5=CC=CC=C54 1 2.119 4 2 0.51107433437208 659886 CCC1=CC=CC=C1NC(=O)CSC2=NC3=C(CCCC3)C(=C2C#N)C4=CC=CO4 1 5.651 3 2 -15.1355785102252 659885 CC1=CC(=NC(=N1)OC2=NN(C(=O)C=C2)C)OC 1 1.228 4 3 0 -10.5625361706961 659884 CC1=C(C(=C(N1C2=CC=C(C=C2)Br)C(=O)C)N)C#N 1 2.763 3 1 -3.81275006773724 659883 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C(C)N3CCSCC3 1 2.645 3 4 0 -10.0772855262146 659882 C1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.312 4 0 5.8738624505955 659881 COC1=CC=CC=C1C(=O)N2CCCC2(C#N)C3=CC=CC=C3 1 3.101 2 2 -7.11191534646281 659877 CCN(CC1=CC=CC=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 1.098 5 3 0 -24.4375173163587 659876 CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=NCCS1 1 3.206 3 1 -13.6681854266853 659875 CN(C)CC#CCOCCOCCC#N 1 0.627 2 2 0 -6.36781950701288 659874 COC1=CC(=CC(=C1OC)OC)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.598 2 6 0 -15.768550841809 659873 C1CCC(CC1)N2CCN(CC2)C3=NC=NC4=C3NC5=C4C=C(C=C5)F 1 4.075 5 0 11.4470774002159 659871 CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CO3)C#N)Cl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l 1 4.529 5 1 -7.80568709624744 659855 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=CN=C3)Br 1 2.949 2 1 -7.59915572263066 659854 COC(=O)C1=CC=CC=C1NC(=O)C2COC3=CC=CC=C3O2 1 2.243 1 5 -8.8631957323712 659853 CCOC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3C)C#N 1 3.384 2 3 -35.2343234011318 659852 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4 1 3.485 5 0 1.41131498127774 659851 CC1=C(C2=CC=CC=C2N1C)C(CN3CCC(CC3)C(=O)N)O 1 1.512 3 2 0 -1.86403871547784 659850 C1=CC=C2C(=C1)C(OC2=O)NC3=NC=CS3 1 1.62 2 2 0 -5.91788438729448 659848 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=CC=C3C(=O)OC 1 0.391 5 5 0 -26.856510145642 659847 CC1=CC(=C(C=C1)C)S(=O)(=O)NCCOC2=NC(=NC(=C2)C)SC 1 3.451 3 3 -9.40975046392552 659845 CCCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NC=C(C=C1)C 1 3.267 3 3 -15.0496850389866 659844 CCCCOC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=C(C=C2)OCC)C#N 1 4.197 4 3 0 -14.5817797190143 659843 CC1CN(CCN1C2=CC(=CC=C2)OC)CC(=O)C3=CNC4=C3C=C(C=C4)OC 1 3.843 3 3 -4.04466313770457 659842 C1CCC(=NCC1)NC2=CC=C(C=C2)Cl 1 3.043 2 0 -2.01267552683554 659841 CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C=N2)CCCN3CCOCC3 1 1.148 3 4 0 -13.799372699251 659828 COC1=C(C2=C(CN(C2=O)C3=CC=CC(=C3)C(F)(F)F)C=C1)OC 1 3.483 1 3 -0.973852282290087 659827 COC1=CC=CC=C1OCC(=O)NC2=NN=C(S2)C3=CC=CO3 1 2.227 3 4 0 -10.7631225742664 659826 C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(O3)C4=CC=CO4 1 2.9 4 2 -6.74660244288308 659824 CCN(CC)S(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C 1 2.715 2 2 -13.0637611284411 659820 C1COCCN1CC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N24 1 2.694 4 1 -2.90953684652093 659819 CCCCCC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC=NC=C3 1 3.286 3 2 0.731057871625358 659818 C1=COC(=C1)CNC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CO4 1 2.789 4 3 0 -15.277159733868 659817 CC1=CC(=NN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C 1 1.179 3 3 0 -13.7318061609021 659815 COC1=CC2=C(C=C1)NC=C2C(=O)CN3CCN(CC3)C(=O)C4=CC=CO4 1 2.129 3 4 0 -2.29556793713957 659814 CCOC1=CC=CC(=O)C2=C(N(C(=C12)C)C)C 1 1.967 1 2 0 -3.87024939570083 659813 C1=CC(=CN=C1)CNC(=O)NC(C(F)(F)F)C(F)(F)F 1 1.846 3 1 0 -12.4653103976541 659812 C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)N4C=NN=C4 1 -0.695 4 2 0 0.225262230572894 659811 C1COCCN1CC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4 1 3.117 2 2 -2.54756867145106 659810 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)NC(=O)C4=CC=CO4 1 3.234 3 3 1.13218428996447 659809 C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4CC=C(CC4C3=O)Cl 1 2.576 2 3 -8.05134887874586 659808 C1CSC(=NC#N)S1 1 1.792 2 0 0 -2.10465547255192 659807 CCCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC3 1 3.147 5 1 -9.13043660891842 659806 C=CCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=CC=C4 1 3.059 6 1 0 -5.78382793879568 659805 C1CC[C@H]2[C@@H](C1)N(C(N2O)C3=C(C=C(C=C3)Cl)Cl)O 1 3.63 2 2 2.95134947614811 659804 CC1(CC2=C(CO1)C=C(C(=N2)NCCCO)C#N)C 1 0.559 3 2 0 -9.26333591864777 659803 CC1=NC(=C(C(=C1)C(=O)OCCO)C#N)N 1 -5.1e-002 3 3 0 -7.90061705825318 659801 COC(=O)C(C(F)(F)F)(NC1=NC=C(C=C1)Br)NC(=O)C2=CC=CO2 1 2.661 3 4 0 -11.4390731414779 659800 CCCCC(C(C)CC(=O)NC1=CC=CC(=C1)C(=O)O)C(=O)O 1 2.964 1 5 -13.1511112746107 659799 CN1C2=CC=CC=C2N=C1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CO5 1 3.934 4 2 -2.0470499644393 659798 CCN1C2=CC=CC=C2N(C1=N)CCOC3=CC=C(C=C3)OC 1 3.123 3 2 0.122732406605616 659797 CC(C)(C(=NO)C1=CC=CS1)NO 1 1.591 2 2 0 -1.03334555907416 659796 C1=COC(=C1)C2=NNC(=S)N2N 1 0.799 4 1 0 -3.95897171256609 659795 CC1=CC(=NC(=N1)N2CCOCC2)OC3=CC=C(C=C3)C4=CC=CC=C4 1 3.702 3 2 2.82767564130616 659794 C1CCC(CC1)C(=O)N2CCCN3C2=NC4=CC=CC=C43 1 3.426 3 1 -3.20258481165234 659793 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC 1 3.796 2 2 -11.1771968510631 659792 COC1=CC(=CC=C1)OCC(=O)NC2=CC=CC=C2C(=O)N 1 1.435 2 4 0 -8.82222715201128 659791 CCCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3OC 1 3.718 2 2 -6.34002908344731 659790 CC1=CC(=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)N4CCOCC4 1 3.056 3 2 -5.13442459059033 659789 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)Br 1 4.288 2 1 7.2622010998622 659788 COC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)N=CC=C3 1 1.572 2 4 0 -9.7107361180406 659786 COC(=O)C(C(F)(F)F)(NC1=NC=CS1)NC(=O)C2=CC=CC=C2 1 2.126 3 3 -12.4629607710829 659785 C1=CC=C(C=C1)C2=NC(=NO2)C3=NON=C3N 1 1.17 5 2 0 1.96774579504521 659784 CCOC(=O)C1=C2C(=C(S1)C)C(=O)NC(N2)(C)C3=CC=CS3 1 2.644 2 3 -11.1131485391804 659783 CCOC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC=CC=C3 1 3.388 4 2 -16.6017602692727 659782 C1COCCN1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4 1 2.569 3 2 -7.10990514855879 659781 CC1=CC=C(O1)C2=CC(=CC=C2)NC(=O)C3[C@@H]4C[C@H](C3C(=O)O)C=C4 1 2.551 1 4 3.18879680613779 659780 C1=CC2=C(C=C1Br)C3=C(N2)C(=O)N(C=N3)CCCN4C=CN=C4 1 2.093 5 1 2.41389506203782 659778 C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)F 1 3.12 3 2 3.5879358311156 659777 CC1=CC2(C(C(N1)C3=CC=CC=C3)(C(=NC24OCCO4)N)C#N)C#N 1 0.814 5 2 0 -4.77711749781857 659775 CCOC(=O)C1C(C(NC1=O)C)C2=CC=CC=C2 1 1.538 1 3 0 -10.0294314000025 659774 CCOC(=O)C1=C2C(=C(S1)C)C(=O)NC3(N2)CCCCC3 1 2.458 2 3 -9.42909692152112 659773 C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)O 1 2.11 1 4 -10.3001183353082 659772 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)N(C)C)C(=O)NC3=CC=CC=C3 1 2.156 4 2 -32.492199720759 659771 CC1(CCC(=O)O1)C2=CN=C(S2)NC3=CC=CC=C3 1 2.295 2 2 -3.64840970214694 659770 COC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=CC=CC=C3 1 3.496 1 2 -1.37603915408856 659769 C1=CC=C(C=C1)OCC(CN2C=C(C=N2)Br)O 1 2.349 2 2 2.00326721101951 659767 C1=CC(=CC=C1SCC2=NN=C(S2)N)Cl 1 2.54 3 0 2.53099338278817 659766 CC1=CSC(=N1)NC(=O)C2=CC=CC=C2O 1 1.652 2 2 0 -1.6033052939281 659763 C1CCN(C1)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 2.399 4 0 8.86842911562716 659762 CC1C(N(C(N1O)C2=C(C=C(C=C2)Cl)Cl)O)(C)C 1 3.16 2 2 2.33707790343221 659761 C1CC2=C(C1)[N+](=O)C3=C(N2[O-])C=C(C=C3)Br 1 2.257 2 2 -1.94318415068398 659760 CC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])C)C(=O)C 1 1.222 2 3 0 -2.69992598826737 659759 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C3=CN=CC=C3 1 1.446 3 3 0 -11.1294069605891 659757 CN(CP(=O)(CN(C)C=O)O)C=O 1 -1.787 2 4 0 -2.46105570992422 659756 C1CC(=O)N(C1)CC(CN2CCOCC2)SC3=NN=NN3C4=CC=CC=C4 1 1.309 6 2 0 -23.4944765568846 659755 CC(C(=O)N)N1CC(CC1=O)C2=CC=CC=C2 1 0.524 2 2 0 -5.8081100081942 659754 CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=NN=C(S1)SCC 1 3.624 4 1 -16.1866007296547 659753 C1=CC=C(C=C1)CNC2=C3C(=NC=N2)OC4=CC=CC=C4C=N3 1 3.848 4 1 -1.05966388045661 659752 CC1=CC=C(N1CC2=CC=C(C=C2)C(=O)O)C 1 2.633 1 2 -7.35638004765705 659751 CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=C(C=C(C=C3)Cl)Cl)Cl 1 3.411 4 2 -8.04718100696986 659750 C1=CC(=CN=C1)C2=NNC(=S)O2 1 1.392 3 1 0 -5.15522536427367 659749 CC(C(F)(F)F)(C(F)(F)F)NC(=O)NCCCC(=O)O 1 1.669 2 3 0 -18.0459463977312 659747 C1CC2=C(C1)NC(C3(C2(C4(N=C3N)OCCO4)C#N)C#N)C5=CC=CC=C5 1 1.412 5 2 0 -6.49410615092544 659745 CCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC3 1 2.691 5 1 -8.93424596568389 659744 CC(=O)C1=C(N=CN1C2=CC=CC=C2OC)N 1 1.307 3 2 0 -5.54452541987889 659742 COC1=C(C=C2CN(CCC2=C1)CC(=O)NC3=C(NC4=C3C=C(C=C4)Cl)C(=O)OC)OC 1 3.686 3 5 0 -10.8363704875536 659741 CC1=CC(=NN1CC(=O)NCC2CCCO2)C(F)(F)F 1 1.414 3 2 0 -17.883180938635 659740 CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CN4CCN(CC4)C5=CC=CC=C5 1 3.658 4 1 1.03544779043644 659739 C1CC(=NC1)NC2=CC(=C(C=C2)Cl)Cl 1 2.795 2 0 -1.21832717811593 659738 CC1=C(C=C(C=C1)C2=CC=C(O2)C=NC3=NC=NN3)Cl 1 4.083 4 1 2.70854861797184 659737 C1CN2CCC1C(C2)OC(=O)C34CC5CC(C3)CC(C5)C4 1 3.112 1 2 1.00271588954707 659736 CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=NC=CS1 1 2.715 3 1 -7.75412777508971 659735 CC1CN(CCN1C2=CC(=CC=C2)OC)C3=NC=NC4=C3NC5=CC=CC=C54 1 4.044 5 1 -0.685277580566126 659734 CC1=C2C(=NN=C(C2=C(N1CC3=CC=CC=C3)C)C)C 1 2.859 3 0 -4.44421881974721 659732 CC1=NC(=C(C(=C1)COC)C#N)N 1 0.437 3 1 0 -5.49359756901535 659731 CN(C)C/C(=C(/C1=CC=CC=C1)\Cl)/Cl 1 3.108 1 0 -1.21712209720578 659730 COC1=CC=CC=C1C(CC(=O)NC2=NC=CS2)C3=CC=CO3 1 2.555 2 3 -12.76437103977 659729 CCSC1=NN=C(S1)NC(=O)NCC(F)(F)F 1 1.859 4 1 0 -17.5226228867274 659727 C1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCOCC4 1 2.116 3 2 -7.88281233225109 659725 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3NC2=O 1 2.532 2 1 -12.0803238242927 659724 CC(C)(C)C1=NN=C2N(C1=O)N=C(S2)SCC(=O)C3=CC=CC=C3 1 4.601 4 2 -7.43151100135785 659723 COCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC3 1 1.294 5 2 0 -10.2832844449073 659722 COC1=CC2=C(C=C1)N(C(=O)C(=[N+]2[O-])C(=O)OC)O 1 -9.8e-002 2 6 0 -4.50006439166561 659721 CCN(CC)C1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N(CC)CC 1 4.506 3 1 -6.88281062739886 659720 CC1=NON=C1C2=NC(=NN2)C3=NON=C3N 1 -0.325 8 2 0 -2.57831651358941 659719 CCOC(=O)C=C1C(=O)N2CCN=C2S1 1 0.913 2 3 0 -10.2467221271196 659718 CCC1=NC2=CC=CC=C2N1CCC(C)C 1 4.059 2 0 -0.435860668578496 659717 C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=C3NC5=CC=CC=C54 1 3.595 5 0 7.85255810403227 659709 CCCCOC1=CC=CC(=C1)C2=NN=C(S2)N 1 2.794 3 1 0.652328253887058 659708 CC1=CC(=C(C=C1)OCC2=NN=C(S2)NC(=O)C3=CC=CO3)C 1 3.216 3 3 -7.55844466609883 659707 CN(C)CP(=O)(CN(C)C=O)O 1 -0.967 2 3 0 -2.36830641010747 659705 COC1=CC=C(C=C1)CNC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCC4 1 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CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC=N3)S2 1 4.015 3 2 -9.36844060166699 659687 CC1=C(C(=NN1CC(=O)N2CCSCC2)C(F)(F)F)Cl 1 2.358 3 1 -6.20166492561862 659686 CC(C(=O)C1=CNC2=CC=CC=C21)N3CCC4=CC=CC=C4C3 1 4.011 2 1 -4.52376397812057 659685 CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=CN34)C5=CC=CC=C5 1 3.219 4 2 -12.0948078373041 659684 C1CCC(=O)N(CC1)CSC2=NC3=CC=CC=C3S2 1 3.545 2 1 -10.0538809378997 659683 CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C2=C(S1)CN(CC2)C)C(=O)OC 1 3.884 3 4 0 -17.955559605603 659682 C1CCC2=C(C1)C(C(C(N2)C3=CC=CC=C3)(C#N)C#N)(C#N)C#N 1 2.117 5 0 -5.76913594592835 659680 C1CN2C3=CC=CC=C3N(C2=N1)CC(C4=CC=C(C=C4)Br)O 1 3.004 3 1 -4.99355442419464 659679 CC1=CC(=NC2=CC(=NN12)C(=O)N)C3=CC=C(C=C3)F 1 1.968 4 1 0 -6.07109374587924 659678 CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=C(C=CC=N1)C 1 3.593 3 1 -6.12918148828717 659677 C1=CSC(=N1)NC(=O)NC(C(F)(F)F)C(F)(F)F 1 1.987 3 1 0 -9.96958471475057 659676 CCC(C(=O)NC1=NC=CC=N1)(C(F)(F)F)C(F)(F)F 1 2.607 3 1 -6.26852368199631 659674 COC(=O)C=C1C(=O)N2CCN=C2S1 1 0.564 2 3 0 -9.88087944789197 659673 CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCCC4=CC=CC=C4 1 3.015 6 3 0 -8.2330196385651 659672 CC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)N4CCOCC4 1 3.056 3 2 -6.78483801317304 659668 CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4C)SC5=C3CC(OC5)C(C)C 1 3.966 4 2 -13.3292905930788 659667 CCCC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)OCC 1 2.138 5 2 0 -17.1204101213646 659666 CC1=CC=C(C=C1)N2C(=O)CC3(C2=O)CC4CC3C=C4 1 2.584 1 2 -2.3402674957529 659665 C1COCCN1C2=NC(=O)/C(=C/3\C4=C(C=CC(=C4)Br)N(C3=O)CC5=CC=CC=C5)/S2 1 3.549 3 3 -3.35880102908445 659663 C1COC2=C(O1)C=CC(=C2)C(=O)CSCCC(=O)O 1 1.566 0 5 0 -12.0288379021454 659662 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(CN3CCC4(CC3)OCCO4)O 1 2.086 2 4 -1.54451901395002 659661 CC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=NN=C(S1)C(F)(F)F 1 3.017 4 1 -10.3232182937829 659660 CCCCOC1=CC=C(C=C1)C2=NN=C(S2)N 1 2.794 3 1 0.1691859701475 659659 CC1(C/C(=C(/C#N)\C(=O)N)/CCO1)C 1 0.363 2 2 0 -8.85367982463619 659658 CC1=C(C=NN1C)C=NCCOCC2=CC=CC=C2 1 2.097 3 1 -2.73288394282854 659657 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O 1 3.33 3 4 0 1.73851258357897 659656 CC1CN(CC(O1)C)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NC4CCCCC4 1 3.203 5 2 0 -11.6721326141672 659655 CC(C(=O)O)SC1=NC(=C2CCCCC2=C1C#N)N3CCCCC3 1 4.736 3 2 -12.0835907207764 659654 C1=CN=CC=C1C2=NC3=CC(=C(C=C3N2)F)F 1 2.531 3 0 6.30888914731115 659653 C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCC3=CN=CC=C3 1 1.302 4 2 0 -6.11327438217876 659652 CCOC(=O)C(C(=O)C)OC1=NNC(=O)C=C1 1 -0.115 2 5 0 -15.1636679103065 659649 CC1=NN=C2N1C3=C(C4=C(S3)COC(C4)C(C)C)C(=O)N2C5=CC=CC=C5 1 3.479 4 2 -13.4022971938872 659648 COC1=CC2=C(C=C1)[N+](=O)C3=C(N2[O-])CCC3 1 1.492 2 3 0 -2.37282054509973 659647 COCCN(CC1=CC=CC=C1)P(=O)(C2=CC=CC=C2OCC(=O)O)O 1 1.695 1 6 0 -8.97778965029562 659646 CCOC(=O)C1=C(N(N=C1)C2=NC=NC3=C2OC4=CC=CC=C43)N 1 2.33 5 3 0 -2.87118053710242 659645 CCCCCCC1C(CCC1=NO)C(=O)OC 1 3.079 1 3 -2.32714197733064 659644 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659628 C1=CN=C(N=C1)NC(=O)NCC(F)(F)F 1 0.695 4 1 0 -9.26834626040349 659627 C1CC(=O)N(C1=O)CNC2=CC=CC=N2 1 0.241 3 2 0 -6.92580246304998 659626 CCOC(=O)CC1(NC2=C(SC(=C2C(=O)N1)C)C(=O)OCC)C 1 1.411 2 5 0 -11.7620659697919 659625 CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CN4CCSCC4 1 2.461 3 1 -2.33960080629819 659623 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4NC6=C5C=C(C=C6)F 1 3.568 5 2 0 10.8347153863762 659622 C1=CC(=CC=C1CSCC2=NN=C(S2)N)F 1 2.088 3 0 -3.04953022748105 659620 COC1=CC=C(C=C1)N2C=NN=C2 1 0.96 3 1 0 2.89701256493618 659619 COC(=O)CNC1=NC(=NC2=CC=CC=C21)C3=CN=CC=C3 1 1.44 4 2 0 -0.982069608461519 659618 CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C)COC)C#N)C 1 3.334 3 2 -15.9218510274948 659617 CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC=N4)S3)C5=CC=CC=C5 1 5.129 5 2 0 1.83732469788112 659615 CN1C2=C(C(NC3=CC=CC=C3O2)C4=CC=C(C=C4)Br)C(=O)N(C1=O)C 1 3.524 3 3 -15.4226336697315 659614 CCOC(=O)CSC1=NC(=C(S1)C(=O)NC2=CC=C(C=C2)N(C)C)N 1 2.455 4 3 0 -17.5883968774358 659613 CC1=CC(=C(C=C1)C)OCC2=NN=C(S2)NC(=O)C3=CC=CO3 1 3.216 3 3 -7.9972440058814 659611 CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NN3C(=O)C(=NN=C3S2)C(C)(C)C 1 4.914 5 2 0 -13.929548634132 659610 CCCC(=O)NC1=NN=C(S1)C2=CC(=CC=C2)OCC 1 2.804 3 2 -12.1913834560336 659609 CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCOCC3 1 1.741 4 3 0 -4.06618482091385 659608 CC1=C(C=CO1)C2=NC(=NO2)C3=CC=NC=C3 1 1.243 3 2 0 5.12905170834397 659607 CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCCC4=CC=CC=C4 1 3.483 5 3 0 -9.07393352579572 659606 C1=COC(=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)O 1 2.445 3 3 -8.50986690186786 659605 CC(C)C1CC2=C(CO1)C(=S)SC(=C2C#N)N 1 2.419 2 1 -0.1137044256048 659604 CSC1=NC2=CC=CC=C2N1C(=O)NC3CCCCC3 1 4.273 3 1 -3.86953098818752 659603 C1=CC=C2C(=C1)N(C(=O)O2)CCCCCN3C4=CC=CC=C4OC3=O 1 4.009 2 4 0.194483171686407 659602 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O 1 2.391 2 5 0 -8.11686303463203 659597 CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CN4CCN(CC4)C5=CC=CC=C5F 1 3.863 4 1 1.86996233209274 659596 C1=CC=C(C=C1)CCOC2=NON=C2N 1 1.854 3 2 0 -4.01228230862274 659595 CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CO4 1 3.555 3 4 0 -1.67002911035849 659594 C1CCN(CC1)C2=C3CCCCC3=C(C(=N2)SCC(=O)O)C#N 1 4.252 3 2 -15.600000278687 659593 CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NCCCN1C=CN=C1 1 1.945 4 1 0 -8.49828899508896 659592 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)OC)OC)C4=CC(=CC=C4)Cl 1 4.127 4 3 0 -3.72564087929741 659591 COC(=O)C1=CC=C(O1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4 1 3.753 4 3 0 -12.5985593319966 659590 CC12CN3CC(C1O)(CN(C2)C3C4=CC(=C(C=C4)OC)OC)C 1 1.88 2 3 0 -6.163968701552 659589 CN=C(NC#N)SCC(=O)C1=C(C=C(C=C1)Cl)Cl 1 3.352 3 1 1.01834628143476 659588 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=O)N3C5=CN=CC=C5 1 2.009 4 3 0 -6.48615798631025 659587 CC1=C2COC(CC2=C3C4=C(C(=NC=N4)NCC5=CC=CO5)SC3=N1)(C)C 1 2.974 4 2 -12.3026975502905 659585 C1=CC=C(C=C1)P(=O)(CC2=NN=CO2)C3=CC=CC=C3 1 2.551 2 2 -6.42172517423011 659584 CCOC1=CC=C(C=C1)NC(=O)C2=NN(C=C2Br)C 1 2.773 3 2 -5.18830871052058 659583 C1CCC2=NN=C(N2CC1)CNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.142 4 1 -12.874182260578 659581 COC1=C(C=C(C=C1)C=NN2C=NC=N2)CSC3=CC=CC=N3 1 2.938 5 1 -15.1728504387148 659580 C1CN(CCN1C2=NC=NC3=C2NC4=C3C=C(C=C4)Br)C(=O)C5=CC=CO5 1 3.079 5 2 0 5.38307226873051 659578 CCSC1(C2(C3=C(CCC3)NC(C2(C(=N1)N)C#N)C4=CC=CC=C4)C#N)SCC 1 3.781 5 0 -5.3232269779607 659577 C1CCC(CC1)C(=O)NC2=NC3=CC=CC=C3N2CCN4CCCC4 1 3.939 4 1 -1.92883669539806 659576 C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC4=CC=CC=C43 1 4.053 2 1 9.76076419255697 659575 CCSC1=NN=C(S1)NC(=O)C(C(F)(F)F)C(F)(F)F 1 2.898 3 1 -14.9282589105163 659574 CC1=CC(=NC(=N1)N2CCOCC2)NC3=CC=C(C=C3)OC 1 1.52 4 2 0 1.26193218301907 659573 C1N=C2N(CN1C3=CC=CC=C3)C(=O)C(=CC4=CC=CC=N4)S2 1 3.28 4 1 -12.9790480866954 659572 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCCC3)F)C(=O)OCC 1 3.364 2 3 -2.89820896161962 659571 CCN(CC)C(=O)CSC1=NC2=CC=CC=C2N1C(=O)OCC 1 3.374 3 3 -13.551143508829 659570 CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=CC=C4)C 1 3.133 2 6 0 -22.9240152045292 659569 COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=N2 1 2.38 2 2 -9.97533557620104 659568 CC1=CC=C(C=C1)N2CN=C3N(C2)C(=O)C(=CC4=CN=CC=C4)S3 1 3.338 4 1 -14.4418833797647 659567 CCC1=NN=C(S1)NC(=O)C2=NC(=CC=C2)C(=O)NC3=NN=C(S3)CC 1 1.908 7 2 0 -15.8628962584644 659566 C1CCC(CC1)NC(=O)N2C3=CC=CC=C3OC2=O 1 3.184 2 3 -3.79987639852149 659565 CN1C=CN=C1C(C2=CC=C(C=C2)OCC3=CC=CC=C3)O 1 2.797 2 2 -5.53289070500601 659564 CC(C(F)(F)F)(C(F)(F)F)NC(=O)NCC1=CN=CC=C1 1 2.051 3 1 -11.0262217403476 659563 C1=CC=NC(=C1)C2=NN=C(C=C2)C3=CC=CC=N3 1 2.661 4 0 2.56398881090242 659562 C1=CC=C(C(=C1)CSC2=NN=C(S2)NC(=O)C3=CC=CO3)F 1 3.356 3 2 -16.1778002393343 659559 C1=CC=C2C(=C1)NC(=N2)CNC(=O)C3=CC=CO3 1 1.725 3 2 0 -6.80359189852589 659558 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2O)O 1 2.521 0 3 -1.84210105235556 659557 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=NN=CS3 1 0.542 4 3 0 -13.4351315555836 659556 CCCCOC1=CC=CC=C1P(=O)(CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)O 1 5.7 0 4 -6.21130999278445 659555 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NP(=O)(C)OC3=CC=CC=C3OC 1 1.45 3 4 0 -8.30697790486442 659554 C=CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N=C(S3)N4CCOCC4)/C1=O 1 2.582 3 3 -10.199263903098 659552 CC1=CC2=C(C=C1)NC(=C2NC(=O)C(C)N3CCN(CC3)C4CCCCC4)C(=O)OC 1 4.182 4 3 0 -6.55965778692896 659551 C1CCCC(=C2C(=O)NC(=S)S2)CC1 1 3.708 1 1 -1.45571466222854 659550 CCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC=N3)S2 1 3.558 3 2 -10.0625100155338 659549 C1CCC(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC=C5)CC1 1 3.588 1 2 -0.926780567890611 659548 COC(=O)C1=NON=C1NCN2C3=CC=CC=C3N=N2 1 1.235 6 3 0 -12.4029389597914 659547 COCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4)NC(=O)C5=CC=CO5 1 3.386 5 4 0 -19.3417712288628 659546 COC1=C(C2=C(C=C1)C=NN(C2=O)CC3=CC=CC=C3)OC 1 2.609 2 3 -2.17521009733427 659545 C1CCC2=NN=C(N2CC1)CNC3=CC=C(C=C3)Cl 1 3.078 4 0 -8.45447979030907 659544 CCCCC1=NC2=CC=CC=C2N1CC(=C)Br 1 4.461 2 0 -4.11509072431696 659542 CC1=CC(=CC=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCOC)N 1 2.939 5 2 0 -12.6860405523108 659541 CN1CCN(CC1)C=NC2=C(C3=C(S2)CCCCC3)C#N 1 2.8 4 0 -6.90210636931853 659540 C=C(CN1CCN(CC1)CC(=C)Br)Br 1 2.416 2 0 -1.92117225291554 659539 C1CCN(CC1)C2=C3C(=NC=N2)OC4=C(C=C(C=C4)Cl)C=N3 1 4.2 4 1 4.22722869173455 659538 CN1C2=C(N=C1NCCC3=CC(=C(C=C3)OC)OC)N(C(=O)N(C2=O)C)C 1 1.65 5 4 0 -14.3465384589553 659537 CN(C)C1=CC=C(C=C1)NC(=O)C2=C(N=C(S2)SCC(=O)NC3=NC=CS3)N 1 2.033 6 2 0 -17.1516720691403 659536 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CCCC4=CC=CC=C4 1 3.928 5 2 0 -11.6933558952639 659535 CC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3)Br 1 4.288 2 1 6.19422261682006 659534 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)C3=CC(=CC=C3)Cl)OC 1 2.978 2 4 -2.70942755547847 659533 C1=CC=C(C(=C1)C(=O)N)OCCOCCOCCOC2=CC=CC=C2C(=O)N 1 1.188 2 6 0 -5.29583333034507 659532 C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)N)C3=CC=CC=C3 1 3.953 3 1 -10.170471355778 659531 C1CN2C3=CC=CC=C3N=C2N1CCC#N 1 1.432 4 0 0 -3.87737104096511 659530 CC(C)C1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)OC 1 2.37 4 2 -8.90713746820576 659529 CCC(C(=O)NC1=NN=C(S1)SCC)(C(F)(F)F)C(F)(F)F 1 3.771 3 1 -14.1389534713494 659528 CCCOC1=CC=C(C=C1)C2=NN=C(S2)N 1 2.338 3 1 1.36077580807882 659527 CN1C(=O)C(=C2CCCCCC2)SC1=S 1 3.914 1 1 -5.37791698733242 659526 C(C#N)SC1=NN=C(S1)N 1 0.371 4 0 0 -9.7622095157134 659524 C1CCN(CC1)C2=NC=NC3=C(C=C(C=C32)Br)Br 1 3.883 3 0 7.03455527080008 659523 CC1=CC(=C(C=C1)C(C)C)OCCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C 1 3.09 5 3 0 -9.54467084455326 659522 CC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=CC=C(C=C1)O 1 2.952 2 2 -4.48906928205075 659521 CC(C)N(CCO)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 2.96 1 2 -6.02172302472319 659520 CCCN1C2=CC=CC=C2N(C1=N)CCOC3=CC=C(C=C3)OC 1 3.647 3 2 -0.925273191653531 659519 COCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.08 6 4 0 -6.95436640322666 659518 COC1=C(C=CC(=C1)C=NO)OCC2=CC=C(C=C2)C(=O)O 1 2.837 1 5 -4.61894524785088 659517 CC1=CC(=CC(=C1)OCC23CC4CN(C(=O)C4(O2)C=C3)CC=C)C 1 2.725 1 3 -4.99077018939241 659516 C1C(CNC1=O)C2=CC3=C(C=C2)OCO3 1 0.748 1 3 0 -7.09315178612818 659515 CCCCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCOCC3 1 2.83 5 2 0 -11.1312413633356 659514 CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=CS3)C 1 3.939 3 1 -11.1853459740832 659513 CC(C)OC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=C(O3)Br)C(F)(F)F 1 5.142 3 3 -10.5697104147007 659512 C1CCC(CC1)NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=C(C=C5)F 1 4.595 6 1 0 -3.06800920571704 659511 CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=NC=C3)C 1 1.772 1 4 0 -1.72019969080285 659510 C1COCCN1C(=O)C2=CC=C(C=C2)N3C=NN=N3 1 -0.182 5 2 0 -18.4089359875962 659509 CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)OC 1 2.831 2 2 -7.94083452831026 659508 C1=CC=C(C=C1)C(=O)N2C(=S)N=C3N2C=CC=C3 1 2.271 3 1 -8.09881296472584 659507 C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)O)[O-] 1 1.591 2 3 0 -2.92984707208173 659505 CC1=NC2=C(N1C)C=CC(=C2)NCC3=NC4=CC=CC=C4N3CC5=CC=CC=C5 1 4.702 5 0 -1.10647409310493 659504 CCCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CC(OC(C3)C)C 1 3.129 5 2 0 -13.966210429054 659503 C1=C(C(=CC(=C1N)OCC(F)(F)F)OCC(F)(F)F)N 1 2.318 2 2 -1.63270669416049 659502 CCCCC(CCC(=O)NC1=NN=CS1)(C(=O)OCC)C(=O)OCC 1 2.266 3 5 0 -13.6819260951789 659500 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=NN=CS4 1 1.821 3 2 0 -3.6971195629746 659499 C1=CC2=C(C=C1N)N=C(O2)C3=C(C=CC(=C3)Br)Cl 1 3.946 2 1 15.1245546376845 659498 CC1=CC(C(C(N1)C2=CC=CC=C2)(C#N)C#N)(C#N)C#N 1 1.063 5 0 0 -3.74333717193681 659495 CC1(CC2(CC(OC2=O)(C)C3=CSC(=N3)NCC=C)C(=O)O1)C 1 1.892 2 4 0 -7.1632000060182 659494 CC1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NC4CCCCC4 1 3.929 5 1 -8.66911131063835 659493 C1CCC(=CC1)CC2=NN=C(S2)N 1 1.939 3 0 0 -4.14824004358064 659487 COC1=C(C2=C(C=C1)C(OC2=O)C3=C(N(C(=NC3=O)SC)C4=CC=CC=C4)O)OC 1 3.824 2 6 0 -10.9245495750214 659486 C1CN2CCC1C(=O)[C@H]2CC3=C(C4=CC=CC=C4C=C3)O 1 2.915 1 2 2.81997107766815 659485 CCCCOC1=CC=C(C=C1)C2CC(=O)N(C2=O)C 1 2.22 1 3 -4.77965252960723 659484 CCCNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C 1 2.555 5 2 0 -17.4880306281284 659483 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3C(=O)OC 1 3.478 2 5 0 -8.20284526465143 659482 C1CCC(CC1)NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCOCC4 1 2.448 5 2 0 -8.77991343091242 659481 CC1=CC=C(O1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)CC(C4)(C)C 1 2.593 1 3 -20.7524830380922 659479 C=CCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NC4=CC=CC=C4)N 1 3.2 5 1 -13.8970926967696 659478 C=CCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2CC5=CC=CC=C5 1 3.872 5 1 -13.1192133999651 659477 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CCCC5=CC=CC=C5 1 3.885 6 2 0 -10.2039198435269 659476 C1C(CC(=O)C=C1O)C2=CC(=C(C=C2)Cl)Cl 1 3.231 0 2 -3.34949284043355 659475 COCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCCC3 1 2.144 5 2 0 -10.0041407832217 659474 C1=CSC=C1S(=O)C2=CSC=C2 1 2.16 0 1 0.770622163764353 659472 CCOC1=NN=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)N5CCOCC5 1 2.655 5 3 0 -15.6236660921091 659471 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3=CC=C(C=C3)OC)CCO 1 0.798 5 4 0 -12.478549154361 659470 CCN1CCN(CC1)C2=NC=NC3=C2NC4=C3C=C(C=C4)F 1 2.566 5 0 9.29752840316558 659469 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)COCCO)C 1 1.749 1 5 0 -1.97875457132658 659468 CCOC(=O)C1CCN(CC1)CC(=O)C2=C(NC3=CC=CC=C32)C 1 2.691 2 3 -2.89221519211551 659467 COC1=C(C=CC(=C1)CC=C)OCC(CN2CCCCC2)O 1 3.35 1 3 -11.2612567185297 659466 CCOC(=O)/C(=C\1/C2=CC=CC=C2C(=O)O1)/C(=O)C 1 1.498 0 5 0 -3.11777476084109 659465 CC1=CC=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3OC)C4=CC=CO4)C#N 1 4.444 3 4 0 -34.0535984636892 659463 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=S)N3)CC4=CC=CO4)C 1 3.233 2 3 -16.6772119595572 659462 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(=O)C4=CC(=CC=C4)OC 1 0.911 5 5 0 -16.9521803546878 659461 C1CCC(CC1)NC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4 1 3.722 4 2 -7.88186274967406 659460 CC1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC=C 1 4.351 5 1 -9.62768578683426 659459 C1CCCC(CC1)NC(=O)C2=C(N3CCCC4=CC=CC(=C43)C2=O)O 1 4.019 2 3 -7.03274149019292 659457 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(=O)C45CC6CC(C4)CC(C6)C5 1 1.809 5 4 0 -13.4945085331696 659455 CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC(COC3=C(C=C(C=C3)Cl)Cl)O 1 2.161 6 4 0 -5.40965679271229 659454 CCC12CN3CC(C1=O)(CN(C2)C3C4=C(C=CC5=CC=CC=C54)O)CC 1 3.878 2 2 -2.06097593265984 659452 CC1=NN=C(C2=CC=CC=C12)NC3=CC(=C(C=C3)OC)C(=O)N 1 1.84 4 2 0 -9.40877653877272 659450 CC1=CC(=O)OC(=C1C(=O)NC2=CC3=NSN=C3C=C2)C 1 2.156 3 3 -4.88141985151945 659449 CC1=CC=C(C=C1)C(=O)NCC(C)(C)O 1 1.567 1 2 0 -7.19487839140165 659447 CC1=C(C2=CC=CC=C2N1)C(=O)CN3CCSCC3 1 2.447 2 1 7.21701745534605e-002 659446 CN1C(=CC(=N1)C(=O)NC2=CC(=CC=C2)OC)C(=O)NC3=CC(=CC=C3)OC 1 2.736 4 4 0 -7.9047457206905 659445 CC1=NN=C(N(C1=O)CCC#N)SCCC#N 1 0.715 5 1 0 -11.6834761606341 659444 C1CCN(CC1)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Cl 1 3.261 4 1 -1.11902550131735 659443 CCOC(=O)C1C(CC(=O)C=C1C)C2=CC=CO2 1 1.965 0 4 0 -11.614595440881 659442 C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)O 1 -8.3e-002 1 3 0 2.19686979604536 659441 CCC1=NN=C(S1)NC(=O)C2=CC=NC=C2 1 0.865 4 1 0 -13.1490379899851 659440 CCOC1=C(C(=C(N1)N=CC2=CC=CO2)C#N)C#N 1 2.254 4 2 -1.80973380468075 659439 CC1(CC2=C(C(=NC(=C2CO1)C3=CC=CO3)NCC4CCCO4)C#N)C 1 2.595 3 3 -7.42064695991445 659438 CCC1=NN=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 0.9 4 3 0 -15.034791165269 659437 C1CCC2=NC3=C(N2CC1)C(=O)N=CN3 1 1.102 4 1 0 -4.6401071212484 659436 CN1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4 1 4.019 4 0 15.5013008608106 659435 CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CCCC4=CC=CC=C4 1 2.698 5 3 0 -11.7013294226466 659434 CC1=CC(=O)OC(=C1C(=O)NCCN2CCOCC2)C 1 0.278 2 4 0 -13.131584202055 659433 C1CCCC(=C2C(=O)N(C(=S)S2)CCC(=O)O)CC1 1 3.644 1 3 -14.1746738107785 659432 CCOC(=O)CNC(=O)CNC(=O)C1=CC=C(C=C1)OCC(C)C 1 1.329 2 5 0 -20.1119085138336 659431 CC1(CC2=CC=CC=C2C3=NN=C(N31)C4=CC=CC=N4)C 1 3.185 4 0 0.654253056563163 659430 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCOCC3)F 1 1.493 3 4 0 -6.50158541558426 659429 CCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C 1 3.103 6 2 0 -3.48687227918293 659428 C1COCCN1C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCCC4=CC=CC=C4 1 2.494 5 2 0 -8.76878980366321 659427 CC(=O)C1=CC(=C(C=C1)O)CO 1 0.723 0 3 0 0.311209881595301 659426 C1=CC2=C(N=C1)OC3=C(C2=O)C=C(C=C3)N 1 1.606 2 2 0 3.39000303206025 659425 COCCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=CC=C5 1 3.18 5 2 0 -8.01185416620364 659424 CCCCCCN1C2=C(N=C1NCC)N(C(=O)N(C2=O)C)C 1 2.368 5 2 0 -17.3359905994497 659423 CC1=C(C(=C(N1NC(=O)C2=CC=CC=C2O)C)C(=O)C)C(=O)C 1 1.491 2 4 0 -2.30699845285281 659422 CC1CCCCN1CC(=O)C2=C(NC3=CC=CC=C32)C 1 3.309 2 1 -1.79574944012148 659421 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCCC3=CC=CC=C3 1 3.246 4 2 -14.8757669605986 659420 COC1=CC=CC=C1N2C(=O)C3=C(N4C2=NN=C4SCC=C)SC5=C3CCC5 1 4.652 4 2 -23.3414538754855 659419 CC1=CC(=NC(=N1)N2C3=C(CC(C3)C(=C)C)C(=N2)C)C 1 3.337 4 0 -0.277827697842999 659418 C1CN(CCN1CC(C2=CNC3=CC=CC=C32)O)C4=CC=CC(=C4)C(F)(F)F 1 4.258 3 1 10.3734764867139 659417 C1COCCN1C(=O)C2=NNC(=O)C3=CC=CC=C32 1 8.1e-002 3 3 0 -15.3071345351802 659416 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C=CCN1C(=CC(=O)N=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)O 1 2.919 3 3 -20.4612019061084 659271 CCCCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3O 1 3.949 2 2 -1.7863624264455 659270 CCOC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=C(C=C2)OC)C#N 1 2.868 4 3 0 -14.1135583113565 659268 C1CN(CC2=C1NC3=CC=CC=C23)C(=O)CN4CCN(CC4)CC5=CC6=C(C=C5)OCO6 1 2.851 4 3 0 -4.9343501060079 659242 CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CC=C2Cl)C#N 1 3.493 4 0 -4.26288287931786 659241 CC1=NC(=C(C=C1)O)CC(C)C 1 2.377 1 1 3.30238264718408 659240 COC(=O)CN1C=C(C=C(C1=O)Br)C(=O)OC 1 -0.143 1 5 0 -7.3878756719228 659239 C1CN(CCN1CC(C2=CNC3=CC=CC=C32)O)C4=CC=CC=C4 1 3.315 3 1 4.44870324540068 659238 CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC 1 2.956 3 5 0 -6.31670095931714 659237 CC1=CC(=O)OC(=C1C(=O)NCC(C)NC(=O)C2=C(OC(=O)C=C2C)C)C 1 1.099 2 6 0 -13.3854847274065 659236 COC1=CC(=C(C=C1CN2C=CN=C2)OC)CN3C=CN=C3 1 1.15 4 2 0 6.20807242343596e-003 659235 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=C(C=CC=C3Cl)F 1 3.338 4 2 -14.378208506015 659234 C1=CC=C2C(=C1)C3=C(C2=O)C(=CC=C3)C(=O)NCCO 1 1.591 1 3 0 -6.33358610409122 659233 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCN3CCCCC3 1 3.659 3 3 -4.58329967297285 659232 CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC 1 2.27 4 5 0 -5.72791178802421 659230 COC1=C(C2=C(C=C1)C3N(C2=O)C4=CC=CC=C4C(=O)N3C5=CC=CC=C5F)OC 1 3.755 2 4 -7.788465868093 659229 C1CSCCN1C2=NC=NC3=C2NC4=C3C=C(C=C4)F 1 2.692 4 0 7.35852026291187 659228 CN1C2=CC=CC=C2C3(C1=O)N=C4C=CC=CC4=N3 1 2.015 3 1 1.46237572168517 659227 CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C 1 2.292 2 3 -18.5508852950972 659224 CC1=CC=C(S1)C2CC(=O)NC(=C2C#N)SC 1 1.933 2 1 0 -7.43604429892542 659223 CC1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)C)C5=CC=CC=C5 1 3.937 4 1 -16.0817923941853 659222 C1C(SC2=NC3=CC=CC=C3N2C1=O)C(=O)O 1 1.97 2 3 0 -5.69613133726489 659221 CC1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)C)C5=CC=C(C=C5)OC 1 3.921 4 2 -16.2334554081872 659220 CC1=CC(=O)OC(=C1C(=O)N[C@@H]2CCCCNC2=O)C 1 0.564 2 4 0 -21.2442853828151 659219 CCN1C=C(C(=O)C2=C1C=CC(=C2)OC)C(=O)O 1 1.489 1 4 0 -1.76474659931528 659218 CC(=O)O[C@H]1CSC[C@H]1NC(=O)C2=CC=CC=C2 1 1.367 1 3 0 -8.6985762340537 659217 COC1=C(C2=C(C=C1)C(OC2=O)C3=C(N(C(=O)NC3=O)C4CCCCC4)O)OC 1 2.64 2 7 0 -12.0447516422809 659216 CC(C)OC1=CC=C(C=C1)C(CC(=O)NC)C(=O)O 1 1.423 1 4 0 -9.90987035913121 659215 COC1=CC=C(C=C1)N2C=CC(=O)C3=C2CCCC3=O 1 2.107 1 3 -7.90728175817178 659214 CC1=C(C2=CC=CC=C2N1)NC(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.704 4 3 0 -1.88712155725741 659213 C1CC2=CC=CC=C2N(C1)C(=O)C3=COC(=O)C(=C3)Br 1 2.257 1 3 -7.91369685895338 659212 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC(=CC=C3)OC 1 2.124 4 4 0 -16.3284566198467 659211 CCCCOC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)O 1 2.634 1 4 -9.56077071856489 659210 COC(=O)CC1=NNC(=S)NC1=O 1 0.144 3 3 0 -16.9383194790828 659209 CC1=NC(=C2C(=C1)C3=CC=CC=C3OC2=O)N 1 1.874 2 2 0 -3.88288538774383 659208 CCCSC1=NN=C2N1C3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=CC=C5OC 1 4.908 4 2 -22.1895060165117 659206 C1CC(=O)N(C1)CCCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F 1 1.462 4 2 0 -14.4168970136521 659205 CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)N)C4=CC=C(C=C4)OC 1 2.663 4 3 0 -26.7137315845678 659204 CCC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC=CC=C5)C)C 1 4.195 4 2 -21.194195547878 659203 COC(=O)C1=CN(C(=O)C(=C1)Br)CC2=CC=CO2 1 0.915 1 4 0 -4.36846606442317 659201 CC(C)C(=O)NC1=C2CCCC2=NC3=C1CCCC3 1 3.513 2 1 -8.75563468654922 659200 C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=NC=N4)N(CCO)CCO)N5CCOCC5 1 2.494 5 3 0 -7.7933816528025 659198 CCC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC6=C(C=C5)OCO6)C)C 1 3.963 4 4 0 -22.4381575655662 659197 CCCCC1=C(N=C(NC1=O)SCC(=O)C2=CC=CC=C2)O 1 3.964 2 3 -12.9760809361284 659196 CC1=CC2=C(C=C1)N3CCC(=O)N[C@]3(C2(C)C)C 1 2.411 2 1 -7.3381776417585 659195 CC1CC(=O)NC(=C1C#N)SC 1 1.013 2 1 0 -10.4794578795566 659194 COC(=O)C1=CN(C(=O)C=C1)CC2=CC=CO2 1 0.463 1 4 0 -4.97109092964743 659193 CC1=NC(=NC2=CC=CC=C12)N=C(N)NC3=CC=CC=C3 1 2.293 5 0 -1.08573823725831 659192 CC1=C(C2=CC=CC=C2N1)CCO 1 1.985 1 1 0 3.1389579469866 659191 C1=CSC(=C1)C2=CC=C(S2)C(=O)C3=CC=CS3 1 4.904 0 1 -5.24740731534591 659189 COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)N 1 1.535 4 4 0 -3.57050661691874 659187 CC1=CC(=O)OC(=C1C(=O)NC2=C(SC=C2)C(=O)OC)C 1 1.837 1 5 0 -12.1874117917546 659186 CCCCOC(=O)CSC1=C(C(C(C(=O)N1)C#N)C2=CC=CC=C2OC)C#N 1 2.92 3 4 0 -24.4796267571742 659185 C1CC(OC1)C(CC(=O)O)C(=O)NCC2=CC=CC=C2 1 1.072 1 4 0 -15.6594233461743 659184 CC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCCC(C3)(C)C)C(=O)OC 1 3.393 3 3 -3.08319217653517 659183 CC(C)CC(C(=O)O)NC(=O)C1=CC=C(C=C1)OCC(C)C 1 3.41 1 4 -18.9150092980776 659182 C1=CC=C(C=C1)CN2C=NC3=CC(=C(C=C32)F)F 1 3.545 2 0 -3.14149172667291 659181 C=CCOC1=CC=CC=C1C=NO 1 2.257 1 2 0.294000733742695 659180 CCC1(NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)NC(=O)C)CC 1 2.973 3 2 -9.61283126951885 659179 CC1=CC(=O)NC(=C1C#N)SCC(=O)C2=CC=CC=C2 1 2.44 2 2 -12.0543992005531 659178 CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC(=CC=C3)OC 1 2.747 3 2 -4.45197247401039 659177 C1COCCN1CCCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F 1 1.635 4 2 0 -3.72593543740263 659176 CC1CCCN(C1)CC(=O)C2=CNC3=C2C=C(C=C3)OC 1 3.089 2 2 0.176545252466679 659174 CC(C)OC1=CC=C(C=C1)CC2=C(N=C(NC2=O)NCCCN(C)C)O 1 2.534 4 3 0 -6.77728077916739 659173 CCCC1C(C(C2(CC1(NC2=O)N)C#N)(C#N)C#N)C3=CC=CC=C3 1 1.122 5 1 0 -4.76378038095962 659172 CCC1(C(=O)NC(=O)N=C1NCCC2=CNC3=CC=CC=C32)CC 1 3.203 4 2 -9.76333359533919 659171 CC1=CC=C(C=C1)N2CCN(C(=O)C2CC(=O)O)C3=CC=C(C=C3)C 1 3.49 2 3 -14.9540279233958 659170 CC(C)CC1=C2COC(CC2=C(C(=O)N1)C#N)(C)C 1 1.642 2 2 0 -8.5093434896184 659169 CC1=CC(=O)OC(=C1C(=O)NCC2=CC(=C(C=C2)OC)OC)C 1 2.002 1 5 -15.503902670106 659168 C1COCCN1C2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 2.663 2 5 0 -11.9331276597211 659167 CC1C([N+](=C(C(=O)N1O)C)[O-])(C)C 1 -0.628 2 3 0 -1.71610580516558 659166 CC/C(=C\1/C(=O)N=C(S1)N2CCN(CC2)C(=O)C)/C 1 1.495 3 2 0 -8.51484844323315 659165 COC1=CC2=C(C=C1)NC=C2C(=O)CN3CCN(CC3)C4CCCCC4 1 3.668 3 2 2.6401507971484 659164 CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)CC 1 3.239 2 1 -1.3660000990462 659163 COCC1=CC(=O)N=C(N1)NC2=NC3=CC=CC=C3O2 1 0.926 4 3 0 -6.83849315222187 659162 CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)SC 1 3.452 2 1 -16.9941669991136 659160 CCOC1=CC=C(C=C1)CN2C(=CC(=O)NC2=O)O 1 1.549 2 4 0 -5.16079755281327 659158 CC1=C2C(=[N+]3N1CCC3)CC(CC2=O)(C)C.[Br-] Br- 1 1.595 2 1 0 -8.52825849903107 659156 C1=CC=C2C(=C1)N(C(=O)C(=O)N2O)O.O H2O 1 7.6e-002 2 4 0 0.114785232290466 659138 CC1(C2CCC1(C(C2)NC(=O)CCN3CCCCC3)C)C 1 2.878 2 1 -3.412454580013 659137 C/C(=C(/C#N)\C(=O)N)/NC1=CC(=CC=C1)F 1 1.199 3 1 0 -8.13809674962649 659136 CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CCO)C2=NC(=O)C3=C(N2)C(=NN3C)C(C)(C)C 1 2.173 5 5 0 -14.5426859072453 659135 CCN(CC)CCN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.441 3 4 0 -12.0618477390947 659134 CC1(CCCN(C1)C(=O)C2=CC3=C(CC(CC3=O)(C)C)N(C2=O)C4=CC=CC=C4)C 1 3.368 2 3 -15.7178417846552 659132 C1=CC=C2C(=C1)N=C(N2CCC#N)Cl 1 2.406 3 0 -1.06000332717388 659131 CN1C2=C(C(=O)NC1=O)N(C=N2)CCN3CCCCC3 1 0.75 5 2 0 -7.98935097754734 659130 C1=CC=C(C(=C1)C(=O)NC=O)C(=O)O 1 0.373 1 4 0 -4.89646174651999 659128 CCOC(=O)C1CCN(CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC 1 2.737 3 5 0 -6.78298643939089 659125 C/C(=C(\C#N)/C(=O)NCCN1CCOCC1)/N(C)C 1 -0.293 4 2 0 -18.1960695937448 659124 CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NC(=O)C4=CC=CO4 1 4.258 4 4 0 -15.7040378490288 659122 CC1=NN(C=C1C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)C 1 2.648 2 3 -10.8117740298433 659121 CCOC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)C)C2=NC(=O)C3=C(N2)C(=NN3C)C(C)(C)C 1 3.438 5 4 0 -17.724313273213 659120 CCC1(C(=O)NC(=O)N=C1NCCC2=CC=C(C=C2)O)CC 1 2.667 3 3 -4.4228701174572 659119 CC1(CC(=O)C(=CNCC(C2=CC=CC=C2)O)C(=O)C1)C 1 1.242 1 3 0 -11.4183142091651 659117 CCCOC1=CC=C(C=C1)CC2=NC(=NC(=N2)N)N 1 2.005 5 1 -2.93298199093457 659116 CCC(C1=C(NOC1=O)C)C2=C(NOC2=O)C 1 0.155 2 4 0 -7.39258561099421 659115 CC(C(F)(F)F)(C(F)(F)F)NC(=O)NC(=O)N 1 1.192 3 2 0 -7.78132706613369 659114 CC1=C2C(=C(S1)C(=O)NCC3=CN=CC=C3)N=C(N(C2=O)CC(=O)NCC4=CN=CC=C4)C 1 0.267 6 3 0 -20.565464064542 659113 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC(COC4=CC=C(C=C4)Cl)O 1 3.143 5 4 0 -7.74515107002863 659112 CC1=CC(=O)OC(=C1C(=O)NC2=CC=CC=C2OC)C 1 2.012 1 4 -11.0266005701826 659111 COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)C5=CC=CC=C5)OC 1 3.55 2 4 -9.08414361795188 659110 C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4N3 1 3.453 2 3 -3.39841371570506 659108 CCOC(=O)C1CCCCN1CC2=C(C(=C(C=C2)OC)OC)OC 1 2.962 1 5 -6.76229887836548 659107 CC1=C(C2=C(N1CC(C)C)C=CC(=C2)OC)C(=O)O 1 3.28 1 3 -3.79568208465718 659106 CC(C)(C)NC(=O)CSC1=NC(=O)C=C(N1C)O 1 1.09 3 3 0 -18.574248346673 659105 CC1=C(SC2=NC=NC(=C12)N[C@@H](CCC(=O)O)C(=O)O)C 1 1.759 3 4 0 -11.8697476590837 659104 C1=CC=C(C(=C1)N2C(=CC(=O)NC2=S)O)F 1 2.934 2 2 -2.51970749726989 659103 CCC(=C1C(=O)CCCC1=O)NCC=C 1 1.365 1 2 0 -12.5773906129579 659101 C1=CC=C2C(=C1)C3=C(C4=C(C=CC=N4)C=C3)NS2(=O)=O 1 2.192 2 2 -3.75012509787395 659100 CC1=CC(=O)OC(=C1C(=O)N2CCN(CC2)C3=CC=CC=C3OC)C 1 2.27 2 4 -8.05088714345582 659099 C1CSC(=N1)NC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.577 3 1 -12.4887300270464 659098 CC1=NC(=CC=C1)NC(=O)C2=C(OC(=O)C=C2C)C 1 1.699 2 3 0 -7.0764704384463 659097 C1COCCN1CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N 1 2.738 6 2 0 -16.1538852918106 659096 C1CC12C3C=CC2C4[C@H]3C(=O)N(C4=O)C5=NC=CS5 1 0.77 2 2 0 -1.81562277223854 659095 C1=CC=C(C=C1)N=CC2=C(OC(=N2)C3=CC=CO3)OC(=O)C4=COC=C4 1 3.732 2 5 0 0.635300841957449 659093 COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=CO3)OC 1 3.563 1 6 0 -11.5574237454173 659092 CN1C2=CC=CC=C2N=C1CN3C=NC4=CC=CC=C43 1 3.049 4 0 -1.27274121648208 659091 CC(C)SC1=NN=C2N1C3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=CC=C5OC 1 4.762 4 2 -18.6009905058849 659090 C1COCCN1CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC=CC=C5)N 1 2.738 6 2 0 -18.5764154412254 659089 C=CCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4CCCO4)N 1 1.982 5 2 0 -20.350673114982 659088 C=CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC5=C(C=C4)OCO5)N 1 2.968 5 3 0 -17.4515342193714 659087 C1COCCN1CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC=CC=C5F)N 1 2.943 6 2 0 -16.7492828317577 659086 CCCCC(=O)C1=C(C=C(NC1=O)C)C 1 1.906 1 2 0 -15.2981879826421 659085 CCC(CO)NC(=C1C(=O)CC(CC1=O)(C)C)CC 1 1.568 1 3 0 -11.1716677701783 659084 CN1C2=C(C(=O)NC1=O)N(C(=N2)OC(=O)C3=CC=CC=C3)CC(COC4=CC=CC=C4)O 1 2.789 4 6 0 -8.35678660298143 659083 CCCCCCN1C2=CC=CC=C2N=C1C(C)O 1 3.865 2 1 -5.40105659742873 659082 C1C(OC(=O)N1)COCC2=CC=CO2 1 0.498 1 4 0 -6.19755437380718 659081 C1COCCN1CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=CC=C5)N 1 2.41 6 2 0 -14.9314725421213 659080 CC1=C(C=C(C(=C1)O)C(C)C)NC2=NC(=O)SC2 1 3.32 2 2 -2.78634021625471 659079 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.603 2 4 -14.1685633700818 659078 CC1=NC(=C(N1C2=CC=C(C=C2)OC)C(=O)OC)N 1 1.683 3 3 0 -3.27977825378437 659077 COC1=CC=CC=C1C(=O)NC(=NC2=NC3=CC=CC=C3O2)NC(=O)C4=CC=CC=C4OC 1 4.138 4 5 0 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1 2.907 3 3 -15.2543353593283 658854 CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCCC3)C 1 3.232 1 4 0.681970333957862 658852 CN1C(=C(N=C1C(C2=CC=C(C=C2)Cl)O)Cl)Cl 1 3.227 2 1 -0.311568099977389 658851 CC1=CC(=NC(=N1)N(C#N)S(=O)(=O)C2=CC=CC=C2Cl)C 1 2.427 4 2 -6.05735264982845 658850 CC1=C(SC=C1)C2NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 4.063 2 1 -7.3514593863796 658849 C=CCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC=CC=C4Cl 1 4.49 5 1 -16.4470701692146 658848 CC1=CC2=C(C=C1C)N3C(=O)C(=CC4=C(C=CC(=C4)OC)O)SC3=N2 1 4.715 2 3 -2.85771632105432 658847 COC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O 1 1.857 1 6 0 -9.01602087412029 658846 C1CSC2=NC(=O)C(=C(N21)O)CC3=CC=CC=C3 1 2.853 2 2 -9.79930738945372 658845 COC(=O)C1C(CNC1=O)C2=CC=CC=C2 1 0.812 1 3 0 -8.77573866000925 658844 CC1=C(C(=O)NC(C1)(C)C)SC2=CC=CC=N2 1 2.302 2 1 -4.93892374013711 658843 C1CCN(CC1)CCC(=O)CCC(=O)CCN2CCCCC2 1 2.184 2 2 -0.698514314228102 658842 CC1(CC2=C(C(=NC(=C2CO1)N3CCOCC3)SCCOC4=CC=CC=C4)C#N)C 1 4.121 3 3 -14.6572402394702 658841 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C1=CC=C(C=C1)C2=C(N3C=C(C=C(C3=N2)Br)Br)NC(=O)C4=CC=CO4 1 4.733 3 2 1.16104284863367 658826 CN1C(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)N5CCOCC5)N=N1 1 3.936 5 2 0 -13.1760109932415 658825 CC1=CC2=C(C=C1)NC(=C2NC(=O)CCN3CCN(CC3)C4CCCCC4)C(=O)OC 1 3.946 4 3 0 -1.36489684655962 658824 CC1=CSC2=C1N=C3CCCCCN3C2=O 1 2.642 2 1 -6.7373793492679 658823 CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC 1 2.208 3 5 0 -8.85479571584026 658822 CCC1=CC(=C(S1)NC(=O)C2CC2)C(=O)OCC 1 2.511 1 3 -10.2129150369291 658820 COCCOC(=O)C1=C(OC2=C([C@]13C4=CC=CC=C4NC3=O)C(=O)OC5=CC=CC=C52)N 1 1.116 2 7 0 -12.6149061746065 658819 CC1(C(=O)N(C(=O)N1)CC(COC2=CC=C(C=C2)OC)O)C 1 0.946 2 5 0 -9.10183088029185 658818 CCC1=C2CCCCC2=C(C(=N1)NCCN3CCOCC3)C#N 1 2.722 4 1 -8.37563952467444 658817 CC1(CC2=C(C(=NC(=C2CS1)N3CCOCC3)SCCC#N)C#N)C 1 3.212 4 1 -13.46051122937 658816 CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)CC 1 3.54 5 1 -15.8624650418237 658815 C1CCC2=C(CC1)SC(=C2C#N)N=CC3=CC=CO3 1 4.326 2 1 -6.56715307704405 658814 CCN(CC(=O)NC1=C(NC2=C1C=C(C=C2)C)C(=O)OC)C3=CC4=C(C=C3)OCO4 1 3.672 3 5 0 -8.48169404142461 658813 CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 4.66 6 1 0 -19.9135726965655 658812 CCC1=C2CCCCC2=C(C(=O)N1)C#N 1 1.986 2 1 0 -8.00518168596778 658811 CCC(=O)NC1=C(C2=NC3=CC=CC=C3N=C2N1C4=CC=CC=C4C)C#N 1 4.274 5 1 -12.6916687333515 658810 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)N2CCOCC2 1 1.341 2 4 0 -11.712994524936 658809 C1COCCN1CCN2C3=CC=CC=C3N=C2NCC4=NC5=CC=CC=C5N4CC6=CC=CC=C6 1 4.337 6 1 0 -9.17573115754854 658808 CCN1C(=NN=N1)C2=CC(=C(C=C2)OC)S(=O)(=O)NCC3=CC=CC=C3 1 1.892 5 3 0 -16.4260944944345 658807 COC1=C(C=C(C=C1)C(=O)NCCCCCC(=O)O)OC 1 1.968 1 5 0 -19.7172586073329 658806 C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CN4C=CC=CC4=N3 1 2.339 6 0 -15.640691762514 658805 CC1(CC2=C3C(=C(SC3=NC(=C2CN1C)N4CCCCC4)C(=O)OC)N)C 1 3.489 4 2 -7.4610082443205 658804 CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NN1C=NN=C1 1 1.337 5 1 0 -8.18969568976078 658803 CC1=CC(=NN1C(=O)CNC(=O)C2=CC=CC=C2OC)C 1 1.399 3 3 0 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-6.83301423752187 658788 COC1=CC(=O)NC(=N1)SCC2=C(C(=C(C(=C2F)F)F)F)F 1 3.73 2 2 -10.8209576478848 658787 C1CN(CCN1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4 1 3.484 4 0 9.49165424726841 658786 CC(C)NCC1=C2C3=C(CCCC3)OC2=CC(=C1O)Br 1 4.287 1 2 -0.529739260237872 658785 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N 1 -0.107 3 2 0 -7.55777515952622 658783 CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N(C(=N2)Br)CC(=O)OC 1 0.299 4 6 0 -15.8514079412794 658781 CC(=O)N=C(N)SC1=NC2=CC=CC=C2N1 1 2.047 4 1 0.659047490374116 658779 C=CCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)NC(=O)C5=CC=CO5 1 4.445 4 4 0 -17.2589158484824 658778 CCOC(=O)C1=CC=C(C=C1)N=CC2=C(OC(=N2)C3=CC=CC=C3)OC(=O)C 1 3.773 2 5 0 6.06176006571386 658777 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CN3CCC4=CC(=C(C=C4C3)OC)OC 1 3.576 3 5 0 -13.1184578088454 658776 C1=CC=C(C=C1)N2C=NN=C2SCC3=C(N4C=CC=NC4=N3)Br 1 3.196 6 0 -4.33878100841627 658775 CC1=CC(=NN1C2=NN=C(N2N=CC3=CC=CO3)C)C 1 1.897 6 1 0 -5.728998010435 658774 C1C(CC(=O)C=C1O)C2=CC=CS2 1 1.645 0 2 0 -7.21893206917874 658773 CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(NC3=C2C=C(C=C3)C)C(=O)OC 1 2.694 3 5 0 -6.80389539209781 658701 CCN(CC)CC1=C(C=CC(=C1)CC(C(=O)N)C(=O)N)OC 1 1.056 3 3 0 -0.954759665238748 658702 CN1C=CN=C1SCCC#N 1 0.985 3 0 0 -4.71349836226263 658703 C1=CC=C(C=C1)CNC2=C(C(=NC=C2)NCC3=CN=CC=C3)C#N 1 2.258 5 0 -7.88207723245458 658704 C1=CC=C2C(=C1)C(=O)C(=C(N2)O)CC(=O)NCC3=CC(=CC=C3)F 1 2.644 2 3 -9.80902851488112 658705 CC1=C(C2=CC=CC=C2N1C)C(=O)CN3CCN(CC3)C4=CC=CC=C4OC 1 3.833 3 2 -1.1008442640056 658707 CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C(=O)OCC)N)C 1 1.138 2 5 0 -8.68892142012063 658708 C1=CC(=CN=C1)CC(C(C2=C(C=C(C=C2)Cl)Cl)O)N3C=NC=N3 1 2.98 4 1 -0.46926266628309 658709 C1=CC=C(C=C1)COC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N 1 3.514 4 3 0 -12.873064390249 658710 CN(C)/C=C\1/C(CC2=C(C1=O)C=CC(=N2)N(C)C)C3=CC=CC=C3 1 2.507 3 1 -2.57523054333133 658711 CN1C(=O)C2=C(N3C1=NN=C3SCC4=CC=CC=C4)SC5=C2CCCC5 1 4.515 4 1 -19.4161915124155 658712 CC1=CC(=NC(=N1)SC)OCC#N 1 1.65 3 1 0 -7.07925171999093 658713 CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=C(C=C2)C)C3CCCCC3)O 1 4.983 3 3 -16.6096519307439 658714 CC1=CC=C(C=C1)N(CC(=O)O)C2C(=O)NC(=O)S2 1 2.242 2 4 -8.52804598486921 658717 CC1(CC2=C(C(=NC(=C2CO1)N3CCCC3)SCC(=O)C4=CC=CC=C4)C#N)C 1 4.518 3 2 -15.4184436455536 658718 CN1CCC2=C(C(=NC(=C2C1)NCC=C)N3CCOCC3)C#N 1 1.44 5 1 0 -12.6614938033024 658719 C1=CC(=CC(=C1)Cl)N=C(N)NC#N 1 1.597 4 0 0 2.38605689386353 658720 COC1=CC=CC(=C1OC)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N 1 3.228 5 2 0 -12.6427240672103 658721 C1CN(CCN1)CCN2C=NC3=C(C2=O)NC4=CC=CC=C43 1 1.101 5 1 0 -9.25675592344588 658722 CC1(C([N+](=O)C=C(N1[O-])C2=CC=CC=C2)(C)C)C 1 1.156 2 2 0 1.32578656396198 658724 CC(=O)OC1=C(N=C(O1)C2=CC=CC=C2)C=NC3=CC=CC=C3OC 1 3.553 2 4 10.0521940229269 658725 CC1=CC(=NN1CC2=CC(=C(C=C2)OC)OC)C 1 2.458 2 2 -11.7958294042796 658726 CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)CC(CC2=O)C3=CC=CO3 1 2.238 1 5 -17.4225446452812 658754 CCCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCC)C 1 2.63 4 2 -11.0399793400652 658753 CC1(C(N(C(=S)S1)C)(C)NO)C 1 2.082 2 1 -3.22812525182701 658752 C1=CC2=NC3=C(N2C=C1)C=C(C=C3)Cl 1 3 2 0 1.62082669779626 658751 CC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)C4=CC=CC=C4)C(=O)OC 1 3.512 4 3 0 -1.82742829586832 658750 C1COCCN1C(=O)CCCOC(=O)C2=CC=CC=C2 1 1.208 1 4 0 -14.0193148810838 658749 CCOC(=O)C1CCN(CC1)CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC 1 2.073 3 5 0 -10.1467196343793 658747 C1=CC(=CC=C1C2=CC=C(O2)C(=O)N)Br 1 2.785 1 2 4.63151113067801 658746 C1COCCN1C2CS(=O)(=O)C3=CC=CC=C23 1 0.964 1 3 0 -2.4588017686359 658745 CCC1(COC1)COC(=O)NC2=CC(=CC=C2)Cl 1 2.764 1 3 -2.13275688293686 658744 CN(C)/C=C\1/C(=O)OC(=N1)C2=C(C=C(C=C2)Cl)Cl 1 2.664 2 2 -4.86546754114668 658743 CCOC(=O)CSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1 1 2.412 2 4 -30.960627261412 658742 CCOC(=O)C1=C(N(C(=C1)C)CC2=C(C(=CC=C2)OC)OC)C 1 3.175 1 4 -10.230528618702 658740 COC1=CC=C(C=C1)C=NN2C=NN=C2SCC=C 1 2.729 4 1 -7.26084991345114 658739 CCOC(=O)C(C(F)(F)F)(NC(=O)C)N1CCC2=CC=CC=C2C1 1 2.625 2 3 -10.0247143563599 658738 CCC1=NC2=C(C3=C(S2)CCCC3)C(=O)O1 1 3.313 1 2 -11.9729939308848 658737 CC1=CC2=C(C=C1)NC(=C2)C3=CC(=CC=C3)N 1 3.672 2 0 13.2347220546497 658736 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC 1 2.838 2 5 0 -14.2981368952408 658735 CC1=CC=CC2=NC(=CN12)CSC3=NN=CN3C4=CC=CC=C4 1 2.881 5 0 -4.11077790650077 658734 C1CN(CC2=CC=CC=C21)C3=NC=NC4=C3NC5=CC=CC=C54 1 3.712 4 0 1.40820470299632 658733 CCCCOC(=O)C1=C(C(=C(N1)C)C(=O)OC)C 1 2.886 1 4 -11.1944936839461 658732 CC1(CC2=C(CS1)C(=S)N(C(=C2C#N)N)C)C 1 2.051 3 0 -5.27523714740102 658731 CC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCCCCC4 1 3.914 4 0 7.62797438514464 658730 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C34CC5CC(C3)CC(C5)C4 1 3.022 4 3 0 -12.8707847983285 658729 CC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)CC5=CC6=C(C=C5)OCO6 1 3.849 5 2 0 10.537910860918 658728 CC(C)(C)S(=O)(=O)C1=C(C=CC=C1C(=O)O)C(=O)O 1 1.546 0 6 0 -4.14625210683432 658727 C1=CC2=C(NC(=S)O2)N=C1 1 2.1 2 1 -0.402926158393648 658700 CC1(CC2=C(C(=NC(=C2CO1)C3=COC=C3)OCC(=O)C4=CC=CC=C4)C#N)C 1 3.848 2 4 -15.8842384062139 658698 CC1=CC=C(C=C1)NC2=NC3=NONC3=NC2=O 1 0.915 5 2 0 -2.27629475553877 658697 CCOC(=O)C1=C(NN=C1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C 1 3.469 2 2 -4.7250927751729 658696 CC1=CC=CC=C1N(CCOC)C(=O)NC2=CC=CC=C2 1 3.084 2 2 -7.05039624160519 658695 CCC(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.21 4 2 -11.4394746547558 658694 C1CCC(C1)(C2C(C(=O)N(C2=O)CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4)O 1 2.395 2 4 -7.46115746544811 658693 CC1=C(C(=O)NC(C1)(C)C)SC2=NC3=CC=CC=C3N2 1 2.971 3 1 -2.67528311304276 658692 C1C(CC(=O)C=C1O)C2=CC=CO2 1 1.086 0 3 0 -7.16936119093423 658691 CCSC1=NN=C(S1)NC(=O)C(C)(C(F)(F)F)C(F)(F)F 1 3.315 3 1 -13.6231102098859 658690 CC1=C(C(=CC=C1)NC(=O)C2=C(NC(=O)NC2C3=CC(=CC=C3)OC)C)C 1 2.95 3 3 -27.2795850557706 658689 CCC1=C2CCCCC2=C(C(=N1)N3CCCC3)C#N 1 3.563 3 0 -7.84266797025149 658687 C1CN2C3=C(C=CC(=C3)N)SC2=N1 1 1.436 3 0 0 -1.27846645940631 658686 CCOC(=O)C1=C(NC(=O)C(C1C2=CC=CO2)C#N)C 1 0.701 2 4 0 -22.9416030894212 658685 COC1=C(C=C(C=C1)CC2=NNC(=NC2=O)SC)OC 1 2.218 3 3 -17.1035995930369 658684 CCC1=NC2=NNC(=C2C3=C1CSC(C3)(C)C)N 1 2.189 4 0 -7.18594680957281 658683 COC1=CC=C(C=C1)NC(=O)C2CSC3N2C(=O)C4=CC=CC=C34 1 2.385 2 3 -10.5192183899199 658682 COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCCC4=CC=CC=C43 1 3.599 3 3 -15.2541218520512 658681 CCOC(=O)C1=C(NC(=C(C1C2=CC=NC=C2)C#N)SCC(=O)N)C 1 0.657 4 3 0 -31.7208909806844 658680 CCC1=C2COC(CC2=C(C(=N1)NCC3CCCO3)C#N)(C)C 1 2.203 3 2 -15.3253176221186 658678 C/C(=C(/C#N)\C(=O)NCC1=CC=CC=C1)/NCC(C)(C)CN(C)C 1 1.981 4 1 0 -16.5905554825562 658677 CC1(C(N(C(=S)S1)CC2=CC=CC=C2OC)NO)C 1 3.71 2 2 -4.46319424225807 658674 COC(=O)C1=CC=C(O1)CN2C(=O)C3=C(C4=C5CCCCC5=C(N=C4S3)N6CCOCC6)N=N2 1 4.848 5 5 0 -19.7759335278126 658673 CC1=NN=C(S1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC=C)O 1 2.102 4 3 0 -11.9943987827302 658672 CCCCC1=C2CSC(CC2=C(C(=O)N1)C#N)(C)C 1 2.591 2 1 -9.40019098550211 658671 CC1=C(NC2=C1C3=C(C=C2)N(C=N3)CCC#N)C 1 2.455 4 0 -1.08508337786297 658670 CCC(C(=O)NC1=NC=NN1)(C(F)(F)F)C(F)(F)F 1 2.166 4 1 -7.55156020951056 658669 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(O3)C4=CC=NC=C4 1 2.793 4 3 0 0.677192014463385 658668 CCOC1=CC2=C(C=C1)C(=NC(=N2)NC3=NC(C=C(N3)C)(C)C)C 1 2.751 5 1 -3.22352028490447 658667 C1CSCCN1C2=NC=NC3=C2NC4=CC=CC=C43 1 2.486 4 0 3.39937563203339 658666 CCN1C(=CC(=O)N=C1SCC(=O)NC(C)(C)C)O 1 1.439 3 3 0 -19.6087035194352 658665 COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CCN3CCN(CC3)C4CCCCC4 1 3.46 4 3 0 -3.41579717030207 658664 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCOCC3 1 -7.e-003 3 3 0 -12.5307971901925 658663 C1COCCN1CCN2C=NC3=C(C2=O)NC4=CC=CC=C43 1 1.367 4 2 0 -6.95488039855049 658662 CCN1CCC2=C(C(=NC(=C2C1)NCCO)NCC3=CC=CC=C3)C#N 1 2.322 5 1 -4.09740887385129 658661 CCOC(=O)C1=C(N=C(C=C1C(C#N)C#N)C)C 1 1.217 3 2 0 -6.47361812276183 658660 CC1(C(SC(=S)N1C)(C)NO)C 1 2.082 2 1 -3.22812525182701 658659 C1CC2=C(C1)SC(=C2C#N)N=CC3=CC=CO3 1 3.414 2 1 -5.9038744419913 658657 CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NCC1=CC2=C(C=C1)OCO2 1 2.45 2 5 0 -10.5658793471984 658656 CN(C)/C=C\1/C(=O)OC(=N1)C2=CC=CS2 1 1.288 2 2 0 -10.0335003710634 658655 CC1=CC(=NC(=C1S(=O)(=O)O)C)C 1 1.063 1 3 0 -4.41249673197298 658654 CC1(CC2=C(CO1)C=C(C(=N2)NCCN3CCOCC3)C#N)C 1 0.863 4 2 0 -13.2689987482821 658653 C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NN3C=NN=C3 1 2.605 4 1 3.35910877492327 658652 CN1C2=CC=CC=C2N=C1CSC3=NC=NN3 1 2.171 5 0 -5.53679736667861 658651 C1CCC(CC1)C2=CN=C(C=C2)C(=O)O 1 2.928 1 2 -1.65024764920245 658650 C1COC2(O1)C3=CC=CC=C3N(C2=O)CCCN4C5=CC=CC=C5C6(C4=O)OCCO6 1 1.332 2 6 0 -9.13233887748567 658643 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)CN5C(=O)C6=CC=CC=C6C5=O 1 4.019 3 5 0 -10.0105625116643 658628 C1CC(OC1)COC(=O)CCC(=O)O 1 0.225 0 5 0 -16.5519158695098 658627 C1=CC=C(C=C1)N(CCC(=O)O)CCC(=O)O 1 1.451 1 4 0 -8.54607070239874 658625 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NC5=NN=CS5 1 1.778 6 4 0 -8.68313979991152 658624 COC1=CC=C(C=C1)N2N=C3C=CC=CC3=N2 1 3.155 3 1 0.433597208184104 658623 CCCC(C(=O)O)NC(=O)CNC(=O)C(C)(C)C 1 0.925 2 4 0 -22.5322680166354 658622 CC1=CC=CC=C1NC(=O)CCC(=O)OCCCC(C(F)(F)F)(F)F 1 3.39 1 3 -15.7649337370092 658621 C1CCC(=CC1)CCN2C=NC3=C(C2=O)NC4=CC=CC=C43 1 3.868 3 1 -5.19376662613744 658620 CCOC(=O)CN1C(=O)C2=C(N=C1SC)SC3=C2CC(OC3)(C)C 1 2.618 2 4 -29.1960688073189 658619 C=CCOC(=O)NC1=C(C=C(C=C1)Cl)NC(=O)OCC=C 1 3.255 2 4 -7.37644252645838 658618 CC1=CC(=CC=C1)N2CC(=O)N(CC2=O)C3=CC=CC(=C3)C 1 2.657 2 2 -3.2839095549365 658617 COC(=O)[C@@H]1[C@@H](C2(CCC1CC2)C(=O)OC)C(=O)OC 1 1.265 0 6 0 -1.52040896700715 658615 C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CC4=CC=NC=C4 1 1.974 4 1 0 -2.65163259235054 658614 CCN(CC)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CN=CC=C3 1 2.571 4 1 -6.51983634435438 658613 CCC1=C2CSC(CC2=C(C(=O)N1)C#N)(C)C 1 1.679 2 1 0 -9.0950606258763 658612 C1=CC2=C(C=CN=C2C(=C1)O)CO 1 1.169 1 2 0 3.7128312363656 658611 CC(C)CC(C(C)CC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)O 1 3.896 3 3 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CCNC(=O)N1C2=C(C=C(C=C2)Br)C3(C1=O)OCCO3 1 1.602 2 4 0 -7.08158030741485 658596 C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CC4=CN=CC=C4 1 1.974 4 1 0 -4.07105012643276 658595 CC(=O)NC(C(=O)OC)(C(=O)OC)NC1=CC=CC=C1 1 0.85 2 5 0 -7.33431087352397 658594 C1CC2=C(N(C1)CC3=CC=CC=C3)SC4=C2C(=O)N(C5=NN=CN45)C6=CC=CC=C6 1 4.442 5 1 -13.6928042279938 658593 CC(=O)NC1=C2C(=CC=C1)OCCO2 1 0.736 1 3 0 -4.39125207706201 658592 CC1=C(C(NC(=O)N1)C2=C(N=CN=C2OC)OC)C(=O)OCCOC 1 0.2 4 6 0 -31.8227398688261 658591 C1=CC=C(C=C1)SC(=O)CNC2C3=CC=CC=C3NC2=O 1 2.151 2 2 -6.18474403468781 658590 CC1(CSC(=NC(C)(C)C)S1)C=NO 1 2.809 2 1 -1.12563313705309 658589 CCCC(=O)C1=C(C(C(=C1N)C#N)(C#N)C#N)C2=CC=CC=C2 1 1.569 4 1 0 -8.66614232637092 658588 COC1=C(C(=C(N1)N=CC2=CC=CC=C2)C#N)C#N 1 2.51 4 1 -0.651343630723533 658587 C1CSC2=NC3=CC=CC=C3N21 1 2.453 2 0 -1.23484871614905 658586 CCOC(=O)CSC1=NC(=C2CN(C(CC2=C1C#N)(C)C)C)N3CCOCC3 1 2.814 4 3 0 -18.3748110361779 658585 C1CCC(CC1)N2C=NC3=C(C2=O)NC4=CC=CC=C43 1 3.399 3 1 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-11.0657224987977 658454 C1C2CC3CC1CC(C2)(C3)CCOCC(CN)O 1 1.506 1 2 0 2.51533757162532 658453 CCN(CC)C(=NC1=C(NC2=CC=CC=C21)C(=O)OCC)C 1 2.903 3 2 -7.03709825633997 658452 CCCN1CCN(CC1)C2=NC3=C(N=CN(C3=N2)CC(CO)O)N 1 -0.393 7 2 0 -1.03587457358867 658451 CC1(CC2=C(C(=O)NC(=C2CS1)C3=CC=CO3)C#N)C 1 1.785 2 2 0 -7.03322524458329 658450 C1CC(=CC(=O)C1)N2CCN(CC2)C3=CC(=O)CCC3 1 1.491 2 2 0 -2.88604593855658 658449 CCNC(=O)CC(=O)NC1=CC=CC=C1C(=O)O 1 0.317 2 4 0 -10.0473430942578 658448 CN1C(=O)C(=NN2C1=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.025 4 1 0.178023543905376 658447 CC1CC(C(CN1C)C)(CC2=C(C=C(C=C2)C)C)O 1 3.312 1 1 1.44470245958359 658446 CNC(=O)C1=CC2=C(C=CC(=C2)OC)OC1=N 1 1.106 2 3 0 -6.76928335715828 658445 CC1(CC2=C(CC3=C(N2C4=CC(=CC=C4)O)CC(CC3=O)(C)C)C(=O)C1)C 1 3.945 1 3 -6.62905799704015 658444 CCCCN1C(=NN=C1C2=CC=CC=C2)C3=CC=CC=C3 1 4.578 3 0 -2.99826569409358 658441 CCCCN(CCCC)C(=O)CSC1=NN=C(O1)C2=CC(=C(C(=C2)OC)OC)OC 1 4.086 3 5 0 -19.9693652711894 658440 CC1(CC2=C(C(=O)NC(=C2CS1)C3=CC=CC=C3)C#N)C 1 2.39 2 1 -8.09036658890138 658438 C1CCN(CC1)CC(COC(=O)C23CC4CC(C2)CC(C4)C3)O 1 3.121 1 3 -3.71512914455451 658437 COC(=O)CN1C2=CC=CC=C2C3(C1=O)OCCCO3 1 0.495 1 5 0 -11.600545925643 658436 CCOC(=O)CNC(=O)C(CO)NC(=O)OCC1=CC=CC=C1 1 0.312 2 6 0 -16.6600217699777 658435 CCOCCN(C1=CC(=CC=C1)OC)C(=O)COC 1 1.094 1 4 0 -10.4904834835543 658434 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC(=NC(=O)OCC)OC 1 2.614 3 6 0 -3.62363614849859 658433 C1COC2(O1)C3=CC=CC=C3N(C2=O)C(=O)NC4=CC=CC=C4 1 2.082 2 4 -6.81170736050771 658432 CCC1=NN=C(S1)NC(=O)CC(=O)NC2=CC=CC=C2C(=O)O 1 0.947 4 4 0 -14.9128186810435 658431 C1COCCOCCN(CCOCCOCCN1CC(=O)O)CC(=O)O 1 -7.353 2 8 0 -7.60570753724114 658430 CCCCOC1=CC=CC=C1C(=O)NCCCCCC(=O)O 1 3.313 1 4 -17.1178195368796 658429 C=C(COC(=O)[C@H]1C2CC(C1C(=O)O)C=C2)Cl 1 1.548 0 4 0 -4.01521780742424 658428 CCOC(=O)CON1C2=CC=CC=C2N(C(=O)C1=O)OC 1 0.21 2 6 0 -11.2450343874032 658427 CCOC(=O)C(C(F)(F)F)(NC1=NOC(=C1)C)NC(=O)C2=CC=C(C=C2)OC 1 2.6 3 5 0 -18.1677777742136 658426 CCN1CCC2=C(C(=NC(=C2C1)NCCO)N3CCOCC3)C#N 1 0.632 5 2 0 -7.69469721812747 658425 CC1=NC2=C(S1)C=C(C3=C2SC=C3)OC 1 3.02 1 1 0.869891259061524 658423 C1CC[N+]2(C1)CCN(CC2)C3=CC=CC=N3.[Br-] Br- 1 0.444 3 0 0 -0.548647183604484 658413 CC(C(=O)OC)SC1=NN=C(S1)SC(C)C(=O)OC 1 2.311 2 4 -9.96184446502117 658412 C1=CC=C(C=C1)NC2=C3C(=NC=N2)OC4=CC=CC=C4C=N3 1 4.006 4 1 2.28190130434934 658411 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)OC3=CC=C(C=C3)C(=O)OC 1 3.464 4 3 0 -5.62939953918021 658410 CC1=CC=C(C=C1)NC2=CC=CC=CC2=O 1 2.855 1 1 -1.3056215876034 658409 CCOC(=O)C1=C(C2=C(N=CN=C2S1)OC)C 1 2.616 2 3 -10.7593681095265 658408 CC1=CC=C(C=C1)N(C(=O)OCCNC(=O)NC2=CC=CC=C2)O 1 2.857 3 4 0 -9.14573203580329 658407 CC1=CC(=NC(=N1)N2CCN(CC2)C3=NC(=CC(=N3)C)C)C 1 0.996 6 0 0 0.642350223260615 658406 CC1=C(C=CC(=C1)Cl)OCC(=O)OC(C)C(=O)N(C)C 1 2.421 1 4 -2.91148026446053 658405 CN1C2=C(N=C1NCCOC)N(C(=O)N(C2=O)CC3=CC=C(C=C3)OC)C 1 1.214 5 4 0 -10.4048960064958 658404 CCC1=C(C2=NN=CN2NC1=O)C 1 0.626 4 1 0 -5.4185141446077 658403 CC1=CSC2=NC(=CN12)CSC3=NC4=CC=CC=C4O3 1 2.991 3 1 2.86851834489006 658402 CC1=NN=C2N1N=C(C=C2)OC3=CC=C(C=C3)C4=CC=CC=C4 1 3.731 4 1 -0.201114080531184 658401 CC1=CC(=C(C=C1CN2C(=CC(=N2)C)C)C)CN3C(=CC(=N3)C)C 1 4.125 4 0 -6.18189790773788 658400 CCN1CCC2=C(C(=NC(=C2C1)N3CCOCC3)N4CCCCC4)C#N 1 2.442 5 1 -7.43112726631107 658399 C1CCC(CC1)CCCOC(=O)CN2CCOCC2 1 2.748 1 3 -7.44256258391154 658397 CC(=O)CC(C)(C)N1N=C(N=N1)C2=CC=CC=C2 1 1.917 4 1 0 -2.73329655644894 658396 CCOC1=NC(=NC(=N1)N(C)C)SC(C(=O)C)C(=O)NC2=CC=CC=C2 1 2.492 5 3 0 -10.3885187663036 658394 C1COCCN1CCN2C3=CC=CC=C3N=C2N=CC4=CC=CS4 1 2.823 4 1 -2.18522302450262 658393 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)C2=NC(=C(C(=N2)OC)Br)C 1 3.012 3 5 0 -10.5128191386106 658392 CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)OC)C=C1 1 4.089 2 4 -5.06088386629136 658391 C1COCCN1C2=C3C(=NC=N2)OC4=C(C=C(C=C4)Br)C=N3 1 3.054 4 2 -0.307455521146384 658390 CSC1=C2C(=C(S1)C(=O)O)CCCC2=O 1 2.6 0 3 -8.93402514963902 658389 CC(C)(C)NC1=CC=CC=CC1=O 1 1.445 1 1 0 -7.09609028769939 658388 C1C=C2[C@H](CN1C(=O)OCC3=CC=CC=C3)[C@H](C(C(=C2C#N)N)(C#N)C#N)C4=CC=NC=C4 1 1.295 6 2 0 -0.624571533587271 658387 CC1=CC(=NN1CC2=CC=C(O2)C(=O)O)C 1 1.594 2 3 0 -9.7132403350154 658386 CC(C)COC(=O)NCCOC(=O)NC1=CC(=CC=C1)Cl 1 3.285 2 4 -7.15319074559114 658385 C1=CC=C(C=C1)C2=CN3C(=NC(=O)C(=N3)CCC(=O)O)N2 1 0.367 4 3 0 -13.1343035481435 658384 CC1(C2CCC13CS(=O)(=O)N[C@@H]3C2)C 1 0.765 1 2 0 -1.46972282344983 658383 CC1=CC=CC=C1CN2C3=CC=CC=C3N=C2NC(=O)C 1 3.283 3 1 -7.29038485891542 658381 COC1=CC=C(C=C1)C2CC3=C(C(=O)C2)SC(=N3)N 1 2.168 2 2 -3.15805537036667 658380 CCOC1=NC(=NC(=N1)N(C)C)SCCOC2=CC=C(C=C2)C 1 4.043 4 2 -4.40097078454305 658378 CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(S3)Br 1 2.968 4 1 -4.12154868509536 658377 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NCC4=CC=CC=N4 1 2.056 5 2 0 -5.5610082649798 658374 CCCOCC(COC1=CC=CC=C1C(=O)N2CCOCC2)O 1 1.146 1 5 0 -13.1097664871475 658373 CCCNC(=O)C1=CC(=CC=C1)CN2C(=C(C(=N2)C)Br)C 1 3.32 3 1 -13.2517446472081 658372 CC1=C(C(=O)N=C(N1C2=CC=CC(=C2)C(=O)O)C)C3=CC=CC=C3 1 2.657 2 3 -6.9447343375988 658370 CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2N4CCCCCC4)C 1 3.942 5 0 -3.15115849461399 658369 COC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=C(C3=C(C=C2)OCO3)Cl)C(=O)OC 1 1.654 2 7 0 -13.6764613965296 658368 CC1=NN=C(C2=CC=CC=C12)N3CCCCC3 1 2.401 3 0 -1.51710558666271 658366 CC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C3=CC=CC=C3)C=NC#N 1 2.651 5 1 -3.65446388350887 658365 CN(C)C1=NC(=S)N2CCSC2=N1 1 2.196 4 0 -7.3670076157825 658364 C1CCN(CC1)C2=C3C(=NC=N2)OC4=C(C=C(C=C4)Br)C=N3 1 4.284 4 1 1.28163060156639 658363 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC=C 1 1.624 2 3 0 -10.9531297908303 658362 CC(C)NC(=O)C1=CC(=CC=C1)CN2C=C(C=N2)Cl 1 2.662 3 1 -16.0130949181904 658361 CCCC(=O)C1=C(NC(=O)NC1=O)O 1 0.241 2 4 0 -13.370169610244 658359 CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)OCC 1 3.449 3 5 0 -16.7089866389665 658358 CN(C)C1=NC(=NC(=N1)OCCOC(=O)NC2=C(C=C(C=C2)Cl)Cl)N(C)C 1 3.317 6 3 0 -6.72134235976769 658356 CC1=C(C(=O)N=C(N1CCCO)C)C2=CC=CC=C2 1 0.974 2 2 0 -2.04265784748668 658355 CCOC(=O)C1=C(C(C(=C(O1)N)C#N)C2=CN=CC=C2)C(=O)C 1 0.259 3 4 0 -14.9530311406244 658353 COC1=CC=CC=C1N2C=NC(=C2C(=O)C3=CC=CC=C3)N 1 2.971 3 2 -6.03495978576583 658352 COC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC=NC=C2)C(=O)OC 1 7.e-002 3 5 0 -15.3958362342904 658351 CCOC(=O)C1=C(C(=C(S1)C)C(=O)N)NC2=NCCCCC2 1 1.684 3 3 0 -11.0224779802072 658350 CCOC(=O)CON1C2=C(CCCC2)C3=C1C=CC4=[N+](ON=C43)[O-] 1 -1.781 3 5 0 -1.89539447865908 658349 CC1=CC2=C(C=C1)N(C3=C2CCCC3)CC(=O)OC 1 3.905 1 2 -1.71417869047403 658348 C1=CC(=CC=C1SCC2=CN3C=CSC3=N2)Cl 1 3.306 2 0 3.47970791276051 658347 COC1=CC=C(C=C1)P2(=O)NC3=CC=CC=C3N2 1 1.457 2 2 0 -2.47837695161717 658346 CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OC)OC)C(=O)OCC 1 1.886 2 7 0 -22.6773442038067 658345 C1=CC=C(C=C1)CC(C(=O)O)N2C=NN=N2 1 0.661 4 2 0 -10.8154349645673 658344 C/C(=C(\C#N)/C(=O)NCCC1=CC=CC=N1)/N 1 -0.191 4 1 0 -17.1724949371603 658343 C1COCCN1CC(=O)OCCCC2=CC=CC=C2 1 2.075 1 3 -5.48321510324412 658342 C1CCN(CC1)CCN2C3=CC=CC=C3N=C2N=CC4=CC=CS4 1 4.052 4 0 0.213383186409467 658341 COC1=CC=C(C=C1)C(=O)C(CN2CCCC2)C3=CC=CC=C3 1 3.763 1 2 -3.70043357520214 658340 CC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3OC)OC)C=N2 1 3.089 2 3 4.74440983341893e-002 658339 CCC(=O)NC1=NC2=CC=CC=C2N1CCN(C)C 1 2.019 4 1 -4.24213929388443 658337 CCN(CC)C(=O)COC1=CC2=C(C=C1)OC(=C2C(=O)OCC)C 1 2.43 1 5 -14.1715304803918 658336 CCCC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CN=CC=C3)C 1 1.891 5 1 0 -7.23669655765139 658335 CC1(CC(=CC(=O)C1)NC2=CC(=C(C(=C2)OC)OC)OC)C 1 2.654 1 4 -17.6800133966521 658334 C/C(=C(\C#N)/C(=O)NCC1=CC=CC=N1)/N 1 -0.439 4 1 0 -16.4926115392497 658333 CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=NN3C=NC=N3)OC 1 2.112 5 3 0 -14.9232778833945 658332 C1COCCN1CCCN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N 1 1.566 6 1 0 -12.0269854944556 658331 CC1=NN=C(C2=CC=CC=C12)N3CCOCC3 1 1.172 3 1 0 -3.10619170937548 658330 CCOC(=O)C1=CNN2C1=NC(=O)C3=CC=CC=C32 1 0.542 3 3 0 -5.04574335629929 658329 CC1(CC(=CC(=O)C1)NCC2=CC=NC=C2)C 1 1.282 2 1 0 -14.0780168514072 658328 C1=CC=C(C=C1)SCCN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N 1 3.868 5 0 -10.128434217079 658327 CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3O2)C 1 2.817 3 2 -9.51350989044943 658324 CC1(C2C(NC(=O)NC2(NC(=O)N1)C)(C)C)C 1 -0.717 4 2 0 -3.91758836048433 658323 CC1(OCCO1)C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Cl 1 3.725 1 3 3.52268662005348 658322 CCOC(=O)CON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=CS3)[O-] 1 1.639 2 5 0 -15.0590007543565 658321 C1CC(OC1)CNCCOCCOC2=CC=C(C=C2)F 1 1.849 1 3 0 -3.58608280402201 658319 C1CCC2=C(C1)C3=CC(=CC(=C3N2)C(=O)N)Br 1 3.257 2 1 4.53731722502605 658318 CCCCCC1=CC=C(C=C1)C2=NNC(=O)C=C2 1 3.758 2 1 -3.62486249698985 658317 CC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=COC=C3 1 -0.678 5 2 0 -3.84593483351185 658316 CCNC1=NC(=NC(=N1)N(C#N)C(C)C(=O)N(C)C)NC(C)C 1 0.48 8 1 0 -11.2696239336083 658314 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC3=CC=CC=N3 1 2.893 3 3 -12.8787551022822 658313 CC1=CC(=NN1S(=O)(=O)CC2=CC=CC=C2)C 1 2.066 2 2 -8.21564493179489 658311 CC1=CC(=C(C=C1CN2C=CN=C2)C)CN3C=CN=C3 1 2.155 4 0 1.57049227172649 658309 CC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)F)C(=O)OC 1 3.717 4 3 0 -0.854248075260839 658308 CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3C(=CC(=N3)C)C 1 3.293 5 1 -0.379464015581428 658307 CSC1=NC2=CC=CC=C2C(=N1)N3CCOCC3 1 2.219 3 1 0.948172332204151 658286 CCOC(=O)CC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=C(C=C2)Cl)C#N 1 3.46 4 3 0 -10.956629317846 658285 COC1=C(C2=C(CN(C2=O)C3=NC=CS3)C=C1)OC 1 1.538 2 3 0 -5.82364982847042 658284 CC1=CC(=NN1C2=NC3=CC=CC=C3N4C2=NN=C4)C 1 2.434 6 0 -2.53418788029639 658283 CCOC(=O)C1=C(OC(=C(C1C2=CSC=C2)C#N)N)C 1 1.625 2 3 0 -13.6314512612946 658282 CCCCC1=C(N(N=C1C)C2=NC3=C(C4=CC=CC=C4N3C)N=N2)C 1 4.941 6 0 0.438082683863229 658281 CCCC1=NN(C(=C1CC)N)CCC2=CC=CC=N2 1 3.102 4 0 -3.80003396297718 658280 CC1=CC(=NN1CC(=O)N2C(=CC(=N2)C)C)C 1 1.286 4 1 0 -12.3486798356663 658279 CC(=C)CSC1=NC(=C2C3=C(CCC3)SC2=N1)N 1 3.957 3 0 -11.7741349294339 658278 CC1(CC2=C(CO1)SC3=C2C(=N)N4CCCC4=N3)C 1 1.67 3 1 0 -20.9220568728286 658277 CC1(CC(=O)C(=CN(C)CCN2CCNCC2)C(=O)C1)C 1 0.265 3 2 0 -10.9866933758582 658276 COC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.866 2 5 0 -14.0910937876253 658275 C1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)O)C(=O)N 1 2.703 1 3 5.39264111097042 658274 CC1=CC(=C(C=C1CC(=O)O)C)CC(=O)O 1 2.131 0 4 -3.15302922720409 658273 C1C2CC3(CC1CC(C2)(C3)CN)CN 1 0.653 2 0 0 1.35127609557494 658272 C1=NN=NN1CCN2C=NN=N2 1 -1.901 8 0 0 -14.2528311801912 658271 C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 1.088 2 4 0 -15.6456252953126 658270 CSC1=NP(=S)(N2CCCC2=C1C#N)SC 1 2.126 3 0 -7.7618764080048 658269 CC(C)CCNC1=NC2=C(COC(C2)(C)C)C=C1C#N 1 2.617 3 1 -14.616226988481 658268 C1=C(SC(=C1)Br)C2=C(SC(=N2)N)Br 1 3.116 2 0 5.3161344537338 658266 CC1(C(N(C(=O)N1C)C2=CC=CC3=CC=CC=C32)N4C=NC=N4)C 1 2.481 5 1 -7.51021347380789 658265 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CNC 1 1.958 3 3 0 -6.45725864133785 658264 CC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)CC4=CC=CC=C4)C(=O)OC 1 3.423 4 3 0 -2.65788214277687 658263 C1COCCN1CCC(=NO)N 1 -0.823 3 2 0 0.664772409646854 658262 CCC(=O)NC1=NC2=CC=CC=C2N1CC3=CC=CC=C3C 1 3.95 3 1 -6.56938367658451 658261 C1CCC(CC1)N2C(=O)C3=C(N4C2=NN=C4)SC5=C3CCC5 1 3.25 4 1 -15.392545519899 658260 COC(=O)CSC1=NC(=C2C3=C(CCCC3)SC2=N1)N 1 3.057 3 2 -14.7709185649496 658259 CC1=CC=C(C=C1)C2(CCN3C2CCCC3)O 1 2.562 1 1 6.02092061344442 658258 C1CCC(CC1)N2C(=O)C3=C(N=C2SCC#N)SC4=C3CCCC4 1 4.995 3 1 -28.8359118704067 658256 CC(C)C1=C2CSC(CC2=C(C(=O)N1)C#N)(C)C 1 1.998 2 1 0 -8.27170398999067 658255 CC1=CC(=NC(=N1)NC2=NC3=C(C=CC(=C3)OC)C(=N2)C)C 1 2.395 5 1 -1.49638714952281 658253 CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)N2CCCC2=O 1 2.146 2 4 -13.663178343834 658252 C1CCC2=C(N=C(C(=C2C1)C#N)N3CCOCC3)C4=CC=CO4 1 3.182 3 2 -3.90230525030766 658250 CC1CN(C2C1(C3=NON=C3CC2)O)O 1 -0.217 3 3 0 -3.49005446271838 658249 CCCCCNC1=C(C(=O)NC2=CC=CC=C21)C(=O)OCC 1 2.436 2 3 -12.8160635617032 658248 C1COCCN1C2=C3C(=NC=N2)OC4=C(C=C(C=C4)Cl)C=N3 1 2.97 4 2 2.63814256902178 658247 CC1=C(C(=NN1)C2=CC=C(C=C2)Cl)C3=C(C=CC(=C3)OC)O 1 4.29 2 2 11.6300655803252 658246 CCOC1=NC(=NC(=N1)N(C)C)SCCOC2=CC=CC=C2 1 3.557 4 2 -4.88920479651186 658245 CC(C)C(=O)N1CCN(CC1)C2=NC(=C3CCCCC3=C2C#N)C4=CC=CC=C4 1 4.446 4 1 -8.79923265452311 658244 CCN(CC)C=NC1=C(NC2=C1C=C(C=C2)C)C(=O)OCC 1 3.31 3 2 -1.09301603452463 658243 CC(C)OC(=O)CSC1=NC(=NC(=C1C#N)SC)N 1 2.299 4 2 -16.6980219402908 658242 CCCCC1=C2CCCCC2=C(C(=N1)N3CCOCC3)C#N 1 3.702 3 1 -7.9901079856208 658241 CCN(CC)C(=O)CN(C#N)C1=NC(=NC(=N1)NC(C)C)NC(C)C 1 1.071 8 1 0 -15.1566384754185 658240 CC(=O)N1C2=CC=CC=C2C3=C1SC(=C3C#N)N4CCCCC4 1 3.936 3 1 -3.74870919091835 658239 CN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC4=C(C(=C3)OC)OCO4 1 0.711 5 3 0 1.84717559174537 658238 C1CCC2=C(N=C(C(=C2C1)C#N)NCCCO)C3=CC=CC=C3 1 3.416 3 1 2.38332844713501 658237 CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5CCCCC5 1 4.79 4 1 -18.7366155226422 658236 C1CN(CCN1CC2=CC=CC=C2)CC(=O)C3=CNC4=CC=CC=C43 1 3.41 3 1 1.8207207676334 658235 CCC1(COC1)COC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CN=CC=C2 1 2.456 2 3 -11.5879409575637 658234 C1CCN(CC1)CCC(=NO)N 1 0.406 3 1 0 3.06337862055894 658233 C1CCC2=NNC(=O)N2CC1 1 0.583 3 1 0 -9.08385176699255 658232 C1CCC2=C(C1)C(=C(S2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C3=CC=CO3)C(=O)N 1 4.255 3 3 -14.8616297228978 658231 CC(C)C1=C2COC(CC2=C(C(=N1)N3CCOCC3)C#N)(C)C 1 2.2 3 2 -13.8167791212051 658229 CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)C4=CC=CC=C4 1 3.533 3 3 -28.9063432406862 658228 COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCCCCC3 1 2.77 3 3 -7.1243416683842 658227 CC1=CC(=C(C(=C1)C)NC(=O)OCCN2CCOCC2)C 1 2.878 2 3 -6.37642670935647 658226 CCCC1=C2CCCCC2=C(C(=N1)N3CCOCC3)C#N 1 3.246 3 1 -8.21662905377587 658225 CNC1=CC=CC=C1C2=NC3=CC=CC=C3N(C2=O)C 1 2.522 3 1 -6.05098091819538 658224 CCN1C2=CC=CC=C2/C(=C\N(C)C)/C1=O 1 1.308 2 1 0 -3.40872271884974 658222 CC1=C(C(C(=C(O1)N)C#N)C2=COC=C2)C(=O)OCC=C 1 1.335 2 4 0 -18.0258410996399 658219 C1CCC(CC1)NC2=NC=NC3=C2NC=N3 1 1.496 5 0 0 -3.28030124054699 658218 CCSC1=NC2=CC=CC=C2C(=N1)N3CCOCC3 1 2.568 3 1 -0.57076093387452 658217 CC1=C(N=CC=C1)N(C2=NCC(S2)(C)C)C(=O)NC3=CC=CC=C3 1 4.25 4 1 -7.68849047626346 658216 C1CCN2C(=C(C3=C2C(=O)N(C=N3)CC4=CC=CC=C4Cl)C#N)C1 1 3.531 4 1 -8.93313780827258 658215 CCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)C)C(=O)O 1 2.895 2 3 0.791500980627335 658214 CCCCC1=NC2=NNC(=C2C3=C1CCCC3)N 1 3.408 4 0 -3.27500430810267 658213 CC1(CC2=C(C(=NC(=C2CO1)N3CCOCC3)SCC4=CC=C(O4)C(=O)OC)C#N)C 1 3.401 3 5 0 -20.5214225967403 658212 CC1(CC(=O)C(=CNCCN2CCN(CC2)C(=O)CC3=CC=C(C=C3)F)C(=O)C1)C 1 1.429 3 3 0 -17.4930111222156 658211 CC1=CC(=NN1CC(C2=CC=CC=C2)OC(=O)C)C 1 2.359 2 2 -6.89914910993861 658210 C1CCN(CC1)CCCC(=NO)N 1 0.727 3 1 0 2.27624458253116 658209 CCCC1=NC2=NNC(=C2C3=C1CCCC3)N 1 2.952 4 0 -3.50152537625773 658208 CCCC1=NC2=NNC(=C2C3=C1COC(C3)(C)C)N 1 1.9 4 1 0 -9.17638793058819 658207 CCCCCCNC1=C(C(=O)NC2=CC=CC=C21)C(=O)OCC 1 2.893 2 3 -12.8733136792395 658206 CC1CC(C(CN1C)C)(CCN=CC2=CC=C(C=C2)OC)O 1 2.149 2 2 -1.87382912940239 658205 CCC1(COC1)COC(C(=O)OCC)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)OC 1 2.852 1 6 0 -10.9866709543635 658204 CC1(CC2=C(CO1)SC3=C2C(=O)N4CCCC4=N3)C 1 1.616 2 2 0 -22.4428918989263 658203 CCSC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4CCCCC4 1 4.456 3 1 -22.4224133926717 658201 CC1=CC(=NN1CC(=O)N2C3=C(CCCC3)C4=CC=CC=C42)C 1 4.09 3 1 -6.26881192208497 658200 CCCN1C2=C(N=C1N3CCN(CC3)CC(=O)C4=CNC5=CC=CC=C54)N(C(=O)NC2=O)C 1 2.157 7 3 0 -4.76771157418642 658199 CCCCOC1=CC=C(C=C1)C(=O)OC2CC(N(CC2C)C)C 1 3.934 1 3 -8.01337088907416 658198 CN1C2=C(N=C1OCC3=CC(=CC=C3)OC)N(C(=O)N(C2=O)C)C 1 1.992 4 4 0 -8.5630466831525 658197 COC1=C(C=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N)OC 1 3.228 5 2 0 -15.9784168654148 658196 C1CCC2=C(NC(=O)C(=C2C1)C#N)C3=CC=CC=C3 1 2.697 2 1 -7.00048764899286 658195 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC#N)C4CCCCC4)C 1 4.151 3 2 -34.5304141938865 658194 CC1(CC(CCO1)N(CC2=CC=CO2)C(=O)CC3=CC=CC=C3)C 1 2.467 1 3 -10.1549178453665 658192 CCN(CC)C=NC1=C(NC2=CC=CC=C21)C(=O)OCC 1 2.824 3 2 -3.2967837730241 658191 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CO3)C4=CC=CC=C4 1 2.68 4 2 -8.79771627867958 658190 COC1=C(C=C(C=C1)CCN/C=C\2/CC(=O)NC2=O)OC 1 0.477 2 4 0 -10.9962880273929 658189 C1CCC2=C(NC(=O)C(=C2C1)C#N)C3=CC=CO3 1 2.092 2 2 -5.94334630467478 658188 CCN1C2=CC=CC=C2/C(=C\OCC)/C1=O 1 1.574 1 2 0 -2.13544882304971 658186 CCCC1=[N+](CCN2C1=CC=C2C)CC.[Br-] Br- 1 2.959 2 0 -0.808796673363688 658173 COC(=O)C1=C(C2=CC=CC=C2NC1=O)N 1 -0.129 2 3 0 -8.87850450125875 658172 CC1=CC(=NN1CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C 1 3.615 3 1 -6.51203047762305 658171 COC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=CO3 1 3.78 2 3 -13.7147476658424 658170 CC1=CC(=NC(=N1)N(C)C(=O)C)SC 1 1.262 3 1 0 -2.9285603010308 658169 CCC1=C(NC(=S)C(=C1C)C#N)C 1 2.471 2 0 -6.28296418456294 658168 CC(C)NC1=NC2=C(S1)N(C3=CC=CC=C32)C(=O)C 1 2.679 3 1 -2.94989781731387 658167 CC1=CSC(=N1)C2=COC3=C(C2=O)C=CC(=C3)OC 1 1.995 1 3 0 -2.20849980873077 658166 CCOC(=O)CSC1=NC(=C(C=C1C#N)C(=O)C)C 1 1.717 2 3 0 -17.8639313412974 658164 CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2CC2 1 2.413 3 1 -16.4051209824427 658163 CN(C)S(=O)(=O)NC1=CC(=C(C=C1)NS(=O)(=O)N(C)C)S(=O)(=O)C2=CC=CC=C2 1 -6.4e-002 4 6 0 -8.51804314493308 658162 CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)NCC3=CC4=C(C=C3)OCO4 1 2.003 2 5 0 -11.5695281989333 658161 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)NC=C3C(=O)O 1 0.558 2 5 0 -16.664577516035 658160 CC1(CC2=C(CO1)C=C(C(=S)N2)C#N)C 1 1.001 2 1 0 -11.5986488187154 658158 CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NCCCN34)C5=CC=CC=C5)C 1 3.02 3 2 -20.0901007977792 658157 CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)CC=C 1 2.573 3 3 -31.8731996836936 658155 C1=CC=C(C=C1)CNC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 3.649 1 1 -8.05620125639482 658154 C1CCC(=C(C#N)C#SN)CC1 1 2.287 2 0 -2.7166123526058 658153 CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCC4)C(=O)N2CC5=CC=CC=C5 1 4.115 4 3 0 -26.2044402353568 658152 CCOC(=O)C(C(=O)OCC)N(C#N)C1=NC(=NC(=N1)SC)N(C)C 1 1.527 6 4 0 -8.85014666258654 658151 CN=C1N(C2=CC=CC=C2S1)CC(COC3=CC=CC=C3)O 1 3.486 2 2 -2.84819619122173 658150 CN(C)C(=NC1=CC=CC=C1C(=O)OC)SC 1 2.473 2 2 -3.71403844784464 658149 CC(=O)C1=CC=C(S1)C(C)(C)C2=CC=C(S2)C(=O)C 1 4.232 0 2 -4.01142453972207 658148 COC1=CC(=O)N2C(=CSC2=N1)C3=CC=CC=C3 1 2.294 2 2 -4.22894560639204 658147 CC1(CC2=CC=CC=C2C(=O)N1)C 1 1.695 1 1 0 -5.42435996714753 658146 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=NC(=C(C(=N2)OC)Cl)C 1 3.221 3 3 -3.62694495282491 658145 CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=CC=C5)C)C 1 3.343 4 3 0 -24.9252484403381 658144 C1CCN(CC1)CCN2C3=CC=CC=C3N=C2N=CC4=CC5=C(C=C4)OCO5 1 3.867 4 2 0.891970701719024 658143 COC(=O)CSC1=NP(=S)(N2CCCC2=C1C#N)SCC(=O)OC 1 1.54 3 4 0 -16.1748044099272 658141 C1C(CN2C3=CC=CC=C3SC2=N1)O 1 1.672 2 1 0 -2.38241302159183 658140 CC(C)CCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C 1 4.606 4 2 -9.93791030151504 658139 CC1(CC2=C3C4=C(C(=NN=N4)OC)SC3=NC(=C2CO1)N5CCOCC5)C 1 2.307 5 3 0 -14.7994761735718 658138 CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2)NC(=O)C 1 1.77 4 5 0 -15.7676233138235 658137 CCCSC1=NC(=C2CCCCC2=C1C#N)N3CCOCC3 1 4.413 3 1 -11.7289743222229 658136 CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SC)C4CCCCC4 1 4.107 3 1 -19.0697629227867 658135 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=C4COC(CC4=C3C#N)(C)C)C 1 2.453 4 3 0 -24.6376426429341 658134 CCOC(=O)C1=C(SC2=C1CCC3C2C(=O)N(C3=O)C4CCCCC4)N 1 2.879 2 4 -9.0151091743189 658132 CCOC(=O)CC(=O)CSC1=NC2=C(CCCCCC2)C=C1C#N 1 4.038 2 3 -18.540986074962 658131 CC(=O)N=C1N=C(SS1)SC 1 2.22 2 1 -5.20909081033919 658130 CCN1CCCC(C1)OC(=O)NC2=CC=CC=C2 1 2.57 2 2 -0.564255152067988 658129 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CSC4=CC=CC=N4 1 3.487 5 2 0 -15.6330936920045 658127 CCC(C)SC1=NC2=C(N1C)C(=O)NC(=O)N2C 1 2.027 4 2 -7.40774650340462 658126 CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)NC3=NC(=CS3)C)C 1 2.612 4 3 0 -38.1716770458053 658125 C1CCC2=C(CC1)SC(=C2)CC(=O)O 1 3.287 0 2 -6.92369594620011 658124 C1C(=[N+](CN1O)[O-])C2=CC=CS2 1 6.7e-002 2 2 0 -1.08528004410721 658123 CCCCCNC1=NC(=C2CN(CCC2=C1C#N)C)N3CCCC3 1 3.529 5 0 -4.32677568276795 658122 C1=CC2=NSN=C2C(=C1)OCC(=O)O 1 1.423 2 3 0 -6.63759855616223 658121 CCOC(=O)C1=C(C2=C3CCCCC3=C(N=C2S1)N4CCOCC4)N 1 3.391 3 3 -11.0101442845244 658120 C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)Br 1 3.501 3 0 -1.44274465774142 658119 CC1=NC(=CS1)C2=COC3=C(C2=O)C=CC(=C3)OCC(=O)O 1 1.476 1 5 0 -7.07620398797727 658116 CC1CC(NC(=S)S1)(C)C 1 2.509 1 0 -3.73624994067927 658115 C1=CC(=CC=C1CSC2=C(C(=NS2)SCC(=O)N)C#N)Cl 1 3.57 3 1 -12.1315847245119 658114 C1CCCC2=C(CC1)C=C(C(=N2)SCC#N)C#N 1 3.802 3 0 -13.4830384156494 658113 C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=CS3 1 2.407 2 1 -6.47580736137303 658111 CC1(CC2=C(C(=NC(=C2CO1)N3CCOCC3)SC(=O)OC)C#N)C 1 2.916 3 4 0 -14.1119188892352 658109 CCOC(=O)CC(=O)CSC1=C(C(=CC(=O)N1)C)C#N 1 1.151 2 4 0 -17.2353966166972 658108 CC(C)C1=NC2=NNC(=C2C3=C1CCCC3)N 1 2.959 4 0 -2.5851011549432 658107 CN=C(C1=CC=CO1)N2C(=S)N=C(N(C2=S)C)C3=CC=CO3 1 3.978 4 2 -0.140020700824717 658106 CCN1C2=C(N=C1N3CCN(CC3)CC(=O)C4=CNC5=CC=CC=C54)N(C(=O)NC2=O)C 1 1.633 7 3 0 -3.69626573151707 658105 CN(C)C1=C2CCN(C2=C(C(=O)N1)C#N)CC3=CC=CC=C3 1 1.652 4 1 0 -8.09550866339485 658104 COC(=O)C1=CC=C(O1)C2=C(C3=C4CCCCC4=C(N=C3S2)N5CCOCC5)N 1 4.247 3 4 0 -7.03077641023769 658101 COC(=O)CSC1=C(C=CC(=N1)C2=CC=CS2)C#N 1 3.246 2 2 -13.7164736694656 658100 CCOC(=O)CSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C 1 3.194 4 4 0 -18.3811828287167 658099 CCOC(=O)CC1=NC(=O)CS1 1 0.694 1 3 0 -12.1621194745239 658098 CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)C4CCCCC4 1 3.814 3 3 -29.3266630430859 658097 CCCSC1=NN=C2N1C3=C(C4=C(S3)CCC4)C(=O)N2C 1 3.348 4 1 -18.1502332652051 658096 CCOC(=O)CC(=O)CSC1=NC2=C(CCCCC2)C=C1C#N 1 3.582 2 3 -18.540986074962 658094 CC(C)(C)OC(=O)CSC1=NC2=C(CN(CC2)C)C=C1C#N 1 2.567 3 2 -16.1276824371506 658093 CCOC(=O)C(C(F)(F)F)(NC(=O)C)NS(=O)(=O)C1=CC=CC=C1 1 1.388 2 5 0 -13.9416807149771 658092 CC(C)(C)S(=O)(=O)C1=CN2C3=C(CCCC3)N=C2C=C1 1 2.555 2 2 -4.66012775722257 658091 CC(=C)CSC1=NN=C2N1C3=C(C4=C(S3)CCC4)C(=O)N2C 1 3.538 4 1 -21.942382676883 658090 CC1=NC2=CC3=C(C=C2S1)SC(=N3)C 1 2.519 2 0 0.598271740445637 658089 CCCCCSC1=NC(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3 1 4.274 3 2 -17.2076819658561 658088 CN1C2CCC1[C@H]3[C@@H](C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=CSC=C4 1 1.139 5 0 0 3.20631995088148 658087 CCC(C)N1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3S(=O)(=O)N 1 2.706 3 5 0 -8.54977061932786 658085 C1=CC=NC(=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CS3)C#N 1 3.43 5 0 -9.30846285668934 658082 CC1=C(C=C(C(=N1)SCC2=CC=NC=C2)C#N)C(=O)C 1 2.094 3 1 -12.4071226085181 658081 CCOC(=O)CSC1=NC(=C2C3=C(CCCC3)SC2=N1)N 1 3.406 3 2 -15.5938527030168 658080 C1CCC2=C(C1)C(=C3C(=C(SC3=N2)C#N)N)C4=CC=CO4 1 3.597 3 1 1.12639840375326 658079 C1=CC(=C(C=C1O)O)C(=O)CC2=CSC=N2 1 1.668 1 3 0 3.18428198732595 658078 C1CS(=O)(=O)CC1N=CC2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N 1 1.267 2 5 0 -5.67521026613075 658077 CCN1C(=O)C2=C(N=C1SCC(=O)O)SC3=C2CCC3 1 2.78 2 3 -27.1111720117598 658076 CC1(CC2=C(CO1)SC3=C2C4=NN=NN4C=N3)C 1 0.593 5 1 0 -20.8581396240702 658075 CC(C)(C)NC(=O)CSC1=C(C(=NS1)SCC(=O)NC(C)(C)C)C#N 1 2.45 4 2 -19.7003548741736 658074 CC1=C(C=CS1)C2C(=C(SC(=C2C#N)N)N)C#N 1 1.27 4 0 0 -5.44721235081451 658073 CC(=O)N1C2=CC=CC=C2C3=C1SC(=N3)NCC=C 1 2.57 3 1 -4.24532259999944 658072 CCCSC1=NN=C2N1C3=C(C4=C(S3)CCC4)C(=O)N2CC5=CC=CC=C5 1 4.931 4 1 -19.3128332338944 658070 CCOC(=O)C1=C(OC(=C(C1C2=CC=CS2)C#N)N)CSC3=C(C(=CC(=N3)C)C)C#N 1 3.584 4 3 0 -22.6140549509242 658069 CCCCN1C2=C(C3=C(S2)COC(C3)(C)C)C(=O)N(C1=O)C 1 2.63 2 3 -17.2150507765447 658068 C1=CSC(=C1)C(=O)C2=CC=C(S2)CC(=O)O 1 3.096 0 3 -5.48664125006165 658067 CCOC(=O)C1=C(OC2=C(C1C3=CN=CC=C3)C(=O)OC(=C2)C)N 1 0.708 2 5 0 -17.2234583650965 658061 C[N+]1=C2N(CC3(COC3)CS2)N=C1.[I-] I- 1 5.3e-002 3 1 0 -3.05466774093867 658043 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)C2=NC(=C(C(=N2)OC)Cl)C 1 2.928 3 5 0 -9.98948391783027 658042 CC1(CC2=C(CO1)SC3=C2C4=NN=NN4C(=N3)SC)C 1 1.655 5 1 0 -18.4030406532325 658041 CC1=CC(=NC(=N1)N(C)S(=O)(=O)C2=CC=CC=C2Cl)OC 1 2.735 3 3 -8.73577372631886 658040 C1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.821 1 4 0 -2.90257544356867 658039 CC1(C(=NC(N1O)C2=CC=CC=C2)C3=CC=CS3)C 1 3.592 2 1 2.56504413883696 658038 C1=CC=C(C=C1)N2C=NN(C2=S)CCC#N 1 2.12 4 0 -4.96197885424115 658037 CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3 1 0.953 5 2 0 -3.47282635381422 658036 CCOC(=O)C1=C(N2C(=C(C1C3=CC=CO3)C(=O)OCC)SC(=CC4=CC=CO4)C2=O)N 1 2.503 2 7 0 -15.5980515906214 658034 CCOC(=O)CC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=C(C=C2)F)C#N 1 3.001 4 3 0 -12.0667509829676 658033 C1=CC=C(C=C1)C2=C(C(=O)NN2)C(C3=CSC=C3)C(C#N)C#N 1 1.596 4 1 0 -3.81003656076389 658032 CP(=S)(NN1C=NN=C1)OC2=CC=CC=C2 1 0.891 4 1 0 -0.361456964095639 658031 CC1=C(SN=N1)C(=O)NC2=CC=CC=C2Cl 1 2.397 3 1 -10.3621798677249 658030 C1=CC=C2C(=C1)N=C(S2)SCN3C4=CC=CC=C4OC3=O 1 4.344 2 2 -1.11795859174456 658028 C1CCC2(CC1)C(=C(NC(=C2C#N)SCC3=CC=C(C=C3)F)N)C#N 1 3.855 4 0 -8.51512331310224 658027 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(C(=N2)OC)Cl)C 1 3.015 3 3 -5.18847261805702 658026 C1=CC2=NN(N=C2C=C1)C3=CC=CS3 1 2.958 3 0 -1.56225132352569 658025 CCOC(=O)C1=C2CCCC2=C(N=C1SC)SC 1 4.102 1 2 -8.08034413429588 658024 CN(C)C1=NC(=NC(=N1)N(CC2=CC=C(C=C2)OC)C#N)SC 1 2.634 6 1 0 -1.94764215538343 658023 CCOC1=CC(=C(C=C1)C2C(=C(SC(=C2C#N)N)N)C#N)OCC 1 2.128 4 2 -7.34652851658786 658022 C1=CC2=NSN=C2C(=C1OCC(=O)O)Cl 1 2.087 2 3 -2.82806399229843 658021 CN1C2=C(C(=NP1(=S)SC)SC)N3CCCC3=N2 1 2.677 4 0 -2.06133127051292 658020 CCOC(=O)C([C@@H]1CS(=O)(=O)C[C@H]1C(C(=O)OCC)C(=O)OCC)C(=O)OCC 1 0.745 0 10 0 -10.0829619332271 658019 CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCCSC3=NC4=CC=CC=C4O3 1 3.579 5 3 0 -10.1250681723077 658018 CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CSC=N3)CN(C)C)O 1 2.524 2 3 1.69910771349507 658017 CCOC(=O)[C@@]1([C@@H]2C=CC(=CN2[C@H]([C@@H]1C3=CSC=C3)C(=O)N)C(=O)C)C#N 1 0.428 3 4 0 -6.90066407798375 658016 CN(CCO)C(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N 1 -1.255 3 5 0 -17.163648833029 658014 CCN1C(=O)C2=C(N=C1SC(C)C(=O)O)SC3=C2CCC3 1 3.264 2 3 -23.3893559706655 658013 CCC(C(=O)OCC)SC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C 1 3.746 4 4 0 -16.4765380040744 658012 CC1=C(C(=NC(=N1)N)SCC(=O)OC)Br 1 1.644 3 2 0 -10.5813191641263 658011 C=CCNC1=C(C(=C(S1)C(=O)C2CC2)N)C#N 1 1.963 3 1 0 -16.1483358898027 658010 CC1(CC2=C(C(=NC(=C2CN1C)N3CCOCC3)SCC4=CC=CC=C4)C#N)C 1 4.342 4 1 -11.8901364528821 658009 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3C)C4=CC=CC=C4)C 1 2.878 2 3 -16.7918506441724 658008 CCN(CC)C(=O)CSC1=C(C(C=C(N1)C)C2=CC=CS2)C#N 1 2.495 3 1 -24.7601572957375 658007 CCSC1=NC=C(C(=O)N1)C#N 1 0.642 3 1 0 -11.6124081557061 658006 CCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)N)N)C#N 1 2.995 5 2 0 -12.5202166574302 658005 CCOC(=O)C(C(F)(F)F)(NC1=NC=CS1)NC(=O)OC(C)C 1 2.18 3 4 0 -13.3632416114016 658004 CC1=C(SC=C1)C2C(=C(OC3=NNC(=C23)COC)N)C#N 1 1.956 4 2 0 -7.07581904764959 658002 COC(=O)CC1=NC(=O)CS1 1 0.346 1 3 0 -11.3803851297328 658001 C1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)C(=O)O 1 2.515 0 4 -13.0252310686168 658000 C1=CC=C2C(=C1)C(=CN2)SCC(=O)N 1 1.519 2 1 0 -3.85518906533503 657998 CC1=CC(=CC(=C1C(=O)CC2=CSC=N2)O)O 1 2.155 1 3 1.35646725587658 657997 CC(C)OC(=O)CC1=NC(=O)CS1 1 1.072 1 3 0 -12.5865973678332 657996 CSC1=NC2=C(C3=C(S2)CCC3)C4=NN=NN41 1 2.043 5 0 -12.1307331724741 657995 CCOC(=O)[C@H]1CCC[C@H](C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.478 2 5 0 -13.5835410112087 657994 CC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SC)C#N 1 2.268 2 1 -21.5345047949817 657993 COC1=CC=C(C=C1)C2=C(C(=S)NC3=C2CCC3)C#N 1 3.183 2 1 -7.25358349821689 657991 CCCCOC(=O)N1C2=CC=CC=C2N=C1SCC(=O)N(C)C 1 3.656 3 3 -10.2229108141952 657989 C1CN2C(=CC(=O)N=C2SC1)O 1 0.98 2 2 0 -12.5130721257059 657988 CC1=C(C(C(=C(N1)SC)C#N)CC(C)C)C(=O)C 1 2.611 2 1 -22.954583064945 657987 CC1=NN=C2N1C3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2C5=CC=CC=C5 1 2.841 4 2 -20.6800397980588 657986 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)N(C)C)C)C 1 1.562 3 2 0 -17.8863669614396 657985 CCOC(=O)C(C)SC1=C(C=CC(=N1)C2=CC=CS2)C#N 1 4.079 2 2 -10.4795556352494 657984 CC(C)OC(=O)CC(=O)CSC1=NC(=NC(=C1C#N)SC)N 1 2.21 4 3 0 -17.0033736736813 657983 CCOC(=O)CSC1=NC(=NC(=N1)N(C)C)N(C)C#N 1 1.123 6 2 0 -13.7553342421042 657982 CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)CC(C)C)C(=O)C 1 3.867 2 2 -26.9430327400316 657980 CC1(CC2=C(C(=O)C1)C3(CCCCC3)C(=C(N2)SCC(=O)NC4=CC=CC=C4)C#N)C 1 4.108 3 2 -26.4122326337243 657978 CC1=C(C(=NC(=N1)NC(=O)C)SC)Cl 1 1.72 3 1 0 -6.04730943660376 657977 CCCCNC(=O)OC1CCS(=O)(=O)C1 1 0.853 1 4 0 -17.3086568331776 657976 CC(C)N1C2=CS(=O)(=O)CC2SC1=S 1 1.762 1 2 0 -5.84789283985723 657975 COC(=O)N1C2=C(C=C(C=C2)Cl)OC1=S 1 3.536 1 3 8.43794171714235 657974 CSC1=NC2=C(C3=C(S2)CCC3)C4=NN=CN41 1 3.048 4 0 -3.19925381925531 657973 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC2 1 -1.216 3 4 0 -19.9823813447638 657972 CC1=CC(=NC(=C1C#N)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=CC=C4)C 1 4.084 6 1 0 -14.485660427246 657971 CC1=C(C=C(C(=N1)SCC(=O)C(C)(C)C)C#N)C(=O)C 1 2.79 2 2 -16.5158521624188 657970 CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=CC=CC(=C2)NC(=O)C)C 1 2.651 4 2 -15.9615546483542 657969 CN1C2=CC=CC=C2SC1=NCC(COC3=CC=CC=C3)O 1 3.486 2 2 -3.34714787294372 657968 CC1=C(SC2=C1C(=O)N3CC4=CC=CC=C4C3=N2)C 1 2.871 2 1 -5.934969031761 657967 CC1=NC2=C(C=C1)C3=C(S2)C(=NC=N3)N 1 1.664 4 0 0 -2.85102984356293 657966 CCCC(=O)NC1=C(C2=C(S1)CCCC2)C#N 1 3.122 2 1 -23.5940217284637 657965 C1C=C(CS1(=O)=O)CN2C(=O)C3=CC=CC=C3C2=O 1 0.641 1 4 0 -3.6700784553893 657964 CC1=CC=C(C=C1)S(=NS(=O)(=O)C2=CC=CC=C2)NC 1 3.326 2 2 -2.15960656721031 657963 CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC#N)CC=C)C 1 3.775 3 1 -20.9619251871111 657962 C1CCC2(C1)C(=C(NC(=C2C#N)SCC(=O)O)N)C#N 1 1.091 4 2 0 -15.2539579133449 657961 CCOC(=O)CSC1=C(C=CC(=N1)C2=CC=NC=C2)C#N 1 2.491 3 2 -11.7572964297189 657960 CCSC1=NC(=C2CCCCC2=C1C#N)N3CCOCC3 1 3.89 3 1 -10.705155630628 657959 CC1=CC(=O)NC(=C1C#N)SCC(=O)C23CC4CC(C2)CC(C4)C3 1 3.322 2 2 -9.87520244454128 657958 CCCCCCS(=O)[C@H]1CS(=O)(=O)C[C@@H]1S(=O)CCCCCC 1 3.141 0 4 -4.54902595706125 657957 CC1(CC(=C(C(=O)N1)C#N)C2=CC=CS2)C3=CC=CS3 1 3.103 2 1 -8.18353373468097 657956 C1COCCN1P(=S)(C2=CN=C(S2)N)N3CCOCC3 1 -0.789 4 2 0 -2.28947822261693 657955 CC1=CC(=NC(=N1)N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2)OC 1 1.778 3 5 0 -15.340077017462 657954 CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)CCN3CCOCC3 1 1.422 2 5 0 -23.5230562515538 657953 CN1CCN(CC1)C(=O)CSC2=C(C=CC(=N2)C3=CC=CS3)C#N 1 2.762 4 1 -11.5030969569693 657952 CC1=C(C(=O)N=C(N1)SCC(=O)OC)OC2=CC=CC=C2 1 1.939 2 4 0 -15.4442263935131 657951 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCC(C2)(C)C 1 2.723 2 3 -5.97834288502317 657949 C=COC(=O)CSC1=C(C=CC(=N1)C2=CC=CS2)C#N 1 3.33 2 2 -12.5720053493762 657948 CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)C)C)NC(=O)C 1 2.121 4 6 0 -15.7440967839461 657947 C=CCN1C(=O)C2=CC=CC=C2NC1=S 1 2.758 2 1 -9.3295577349983 657946 CC1(C2=C(C3=C(N1)C=CC(=C3)O)C(=S)SS2)C 1 3.514 1 1 -16.2377878825929 657945 CCN(CC)C1=NC(=NC(=N1)NC#N)SCC(=O)OCC 1 1.614 6 2 0 -14.473047325805 657932 CC1(C(N(C(=O)N1O)C2=CC(=CC=C2)Cl)N(C(=O)NC3=CC=CC=C3)O)C 1 3.207 4 4 0 -2.86759841381645 657931 CC(=O)OC12CC3CC(C1)C(=NO)C(C3)C2 1 1.229 1 3 0 -1.1706223452552 657930 CSC1=C(C(=CC(=N1)C2=CC=CO2)C3=CC=CC=C3)C#N 1 4.499 2 1 -1.99292222464691 657928 CC1=CSC(=N1)C2=CC3=C(C=CC(=C3)OC)OC2=O 1 2.506 1 3 1.21776866629599 657927 CC1=C(C(=S)NC(=C1CC=C)C)C#N 1 2.537 2 0 -8.26918193769421 657926 CN1C2CCC1C3[C@@H](C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=CC=CS4 1 1.22 5 0 0 2.04607582254341 657925 C1CC2=C(C1)SC3=C2C(=O)N(C(=O)N3)CC4=CC=CC=C4 1 3.067 2 2 -9.95272977919698 657923 CC1=CC(=O)NC(=C1C#N)SCC(=O)N 1 3.8e-002 3 2 0 -15.0611948509243 657922 CC1=NN=C2N1C3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C(=O)N2CC6=CC=CC=C6 1 4.119 5 1 -11.7170148040315 657921 CC(C)CC1C(=C(NC2=C1C(=O)CCC2)SC)C#N 1 2.974 2 1 -23.7725177945062 657920 CC1=CC(=NN1C2=NC3=C(N2CC4=CC(=CC=C4)Br)C(=O)N(C(=O)N3C)C)C 1 3.428 6 2 0 -16.4464163847288 657919 CC1=C(C(=S)SN1CCOC2=CC=CC=C2)C(=O)O 1 2.762 1 3 -3.18599738789121 657918 CC12CCCCC1([N+](=O)C3=C(N2[O-])CCCC3)O 1 0.933 2 3 0 -3.77001769116261 657917 CC1=CC(=CC=C1)OCCN2CN(C(=S)SC2)C 1 4.245 2 1 -8.45375376844899e-002 657916 CC1=CC(=NC(=C1C#N)SCC(=O)NC2CC2)C 1 1.957 3 1 0 -18.2600542652723 657914 CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=NC=CC=N1)OC2=CC=CC=C2 1 2.775 4 4 0 -7.37715474884247 657913 CC1=C(C(=NC(=C1C(=O)NC2=CC=CC=C2)C)SC)C#N 1 3.192 3 1 -10.0766209043716 657912 CC(=O)NC(=O)NC(C(=O)OC)(C(F)(F)F)O 1 -0.28 2 5 0 -7.7828850047338 657911 CCCC(C)C1(C(=O)NC(=NC1=O)NC2=CC=C(C=C2)F)CC 1 3.951 3 2 -5.48034040200076 657910 C1=C2C=C(C(=O)OC2=C(C=C1Cl)Cl)C(=O)O 1 2.818 0 4 -6.30775278336039 657909 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)OC 1 1.482 4 4 0 -13.9067527777782 657908 CCOC(=O)C(C(F)(F)F)(NC1=CC(=CC=C1)F)NC(=O)C 1 2.491 2 3 -8.13698301064129 657907 CNP(=S)(NC)OCCOC1=CC=C(C=C1)OC 1 1.242 2 3 0 -2.44865766067105 657906 CCSC1=NC(=C2C3=C(CCC3)SC2=N1)N 1 3.243 3 0 -6.42032162099024 657905 CC1=CC(=NN1C2=C(C(=C(C(=C2F)F)COC(=O)C)F)F)C 1 3.081 2 2 -5.79158020731377 657904 CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C 1 3.214 4 1 -12.0245105306476 657903 CN1C2=C(C(=O)NC1=O)N3CCCSC3=N2 1 0.658 4 2 0 -7.07126629564739 657902 CN1CCN(CC1)C(=O)CSC2=C(C=CC(=N2)C3=CC=NC=C3)C#N 1 1.658 5 1 0 -8.72098557915544 657901 C1=COC(=C1)CNC2=NC=NC3=C2C=NN3CC4=C(C=C(C=C4)Cl)Cl 1 3.653 5 1 0.365235391219147 657900 C1CC(OC1)N2C=C(C(=O)N(C2=O)CC3=CC=CC=C3Cl)F 1 1.828 2 3 0 -11.8831783529123 657899 C1CSC(S(=O)C1)C2=CN=CC=C2 1 0.81 1 1 0 -2.84437798259159 657898 CCOC1=C(C=C(C=C1)C2C(=C(SC(=C2C#N)N)N)C#N)OC 1 1.779 4 2 0 -11.5950436652038 657897 CCN(CC)P(=O)(/C(=C\NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)/Cl)N(CC)CC 1 1.071 5 2 0 -11.8741236057379 657896 CN(C)C1=C2C3=C(C(=O)N(C=N3)CC4=CC=CC=C4)SC2=NC=C1 1 2.903 4 1 -8.69181147448666 657895 C1CCN(CC1)C2=NC=NC3=C2C=NN3CC4=C(C=C(C=C4)Cl)Cl 1 4.01 5 0 3.39153898822533 657893 C1=CC=C2C(=C1)N=CN2C(=C(Cl)Br)N3C=NC4=CC=CC=C43 1 4.464 4 0 -0.997444941161656 657892 CC1=C2COC(CC2=C3C(=C(OC3=N1)C(=O)C4=CC=C(C=C4)Br)N)(C)C 1 3.623 2 3 -6.83470424204142 657891 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC=C)CC3=C(C=C(C=C3)Cl)Cl 1 3.954 4 3 0 -15.9926911752492 657890 C1C(=O)N(C(=NC2=CC=C(C=C2)O)S1)C3=CC=C(C=C3)O 1 3.18 2 3 -2.02314156651315 657888 COC1=C(C=C2C(=C1)C(=C(C23CCCC3)N)C#N)OC 1 2.05 2 2 -1.65173027867938 657887 CN1C=C(C=C2C1=NC(=N2)C(F)(F)F)Br 1 2.97 3 0 0.339073603583319 657886 CN1C2=C(C(=O)NC1=O)N(C(=N2)OC(=O)C3=CC=CC=C3)CC(COC4=CC=C(C=C4)F)O 1 2.994 4 6 0 -6.86364410349913 657884 CN1C2CCC1[C@H]3[C@@H](C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=CC=C(C=C4)Cl 1 2.142 5 0 6.89043715851833 657883 CC1(CC2=C(CO1)N=C3C2=C4NN=CN4C(=N3)SC)C 1 2.046 5 1 -8.24613703842016 657882 COC1=CC2=C(C=C1)N3C=C(N=C3S2)C4=CC=CC=C4 1 3.86 2 1 2.48426624622 657881 CCOC(=O)C1=C(NSC1=S)C 1 1.499 1 2 0 -9.55063707703338 657880 CN1C2=C(N=C1NCCCO)N(C(=O)N(C2=O)CC3=CC=CC=C3F)C 1 1.09 5 3 0 -7.10550265580722 657879 CCOC(=O)C(C(F)(F)F)(NCC1=CC=CC=N1)NC(=O)C2=CN=CC=C2 1 1.593 4 3 0 -12.7973248377428 657878 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC=C)CC3=CC=C(C=C3)Cl 1 3.29 4 3 0 -15.9399145144381 657876 C1=CC(=CC=C1C2=CN=CN2)F 1 1.732 2 0 0 6.14001009328444 657875 CCOC(=O)C(C1=CC(=C(C=C1)N)OC)(C(F)(F)F)O 1 1.624 1 4 0 -3.7328421760074 657874 CCCCC1=NC2=C(C3=C(S2)CCC3)C(=O)N1 1 3.122 2 1 -13.9208368027737 657873 C1C(=O)C2=C(C=CC3=CC=CC=C32)OC1(C(F)F)O 1 2.547 0 3 -1.3346787370109 657872 CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(C3=CC=CC=C3)O 1 1.752 4 3 0 -6.84795502441566 657871 CC1=CC=C(O1)C2=C(C(=NC3=C2CCCC3)SCC(=O)OC)C#N 1 3.925 2 3 -13.5333663829032 657870 CN1CCN(CC1)CC(=O)N(C)C2=NC(=CS2)C3=CC=CC=C3 1 2.063 4 1 2.18984630284234 657868 CN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C 1 2.584 5 3 0 -3.37257922994818 657867 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=C(C=C(C=C3)F)F)C4=CC=CC=C4 1 3.906 4 1 -5.21514792832442 657866 CC(=O)NC1=CC2=C(C=C1Br)OCCO2 1 1.484 1 3 0 -6.04141150272587 657865 C=CCN1C(=CC(=O)N=C1SCC2=C(C(=C(C(=C2F)F)F)F)F)O 1 4.327 2 2 -14.1380174387657 657864 CN1C2=C(N=C1OCC=C)N(C(=O)N(C2=O)CC3=CC(=C(C=C3)Cl)Cl)C 1 3.954 4 3 0 -8.05400561483213 657862 CCC1(CC2=C(CS1)SC3=C2C(=O)NC(=O)N3)C 1 2.158 2 2 -12.7283134867892 657861 CC1=CC2=C(C=C1)NC(=C2CC#N)CCN(C)C 1 2.923 3 0 4.46260567772332 657860 CC1=C(SC(=C1C(=O)OC)NC(=O)C)C(=O)OC 1 1.225 1 5 0 -14.6876866358571 657859 C=C(C1=CC=CC2=CC=CC=C21)P(=O)(O)O 1 2.158 0 3 -0.58592088314097 657858 C1COCCN1C(=O)C2=CC=CC=C2OC(=O)C3=CC(=CC=C3)Br 1 3.112 1 4 -12.3435554786817 657856 CN1C2=C(N=C1OCC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C 1 3.106 5 3 0 -3.50222955787322 657854 CN1C2=C(N=C1OCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C 1 4.102 4 4 0 -5.70951889493323 657853 CSC1=C(C2(CCCC2)C(=C(N1)N)C#N)C#N 1 1.609 4 0 0 -6.30433634135891 657852 C1COCCN1C(=NO)P(=O)(N2CCOCC2)N3CCOCC3 1 -1.899 4 5 0 -3.87780967566306 657851 CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCC(=O)O)C 1 2.361 2 4 -20.2571736788393 657850 CC(C)CNC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)N(C(=O)N2C)C 1 3.301 5 2 0 -16.9906310301677 657849 CN1C2=NC=C(C=C2NC1=O)Cl 1 0.951 3 1 0 -1.64381190339746 657848 CC(C)SC1=NC2=C(N1C)C(=O)NC(=O)N2C 1 1.503 4 2 0 -5.40336012341259 657847 CCCSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C 1 3.719 4 2 -11.6035793505821 657846 CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)OCC 1 1.983 3 6 0 -14.9225721350199 657844 C1CCN(CC1)C(=NO)P(=O)(N2CCOCC2)N3CCOCC3 1 -0.669 4 4 0 -4.24796173804908 657827 C1CCN2C(=NC=C2C3=CC=C(C=C3)Br)C1 1 3.453 2 0 3.40625750035902 657825 C1COCCN1C(=O)CCCNC(=O)C2=CN=CC=C2 1 -0.59 3 3 0 -19.65174976104 657824 CC(C)CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCC#N)C 1 2.055 5 2 0 -16.3928279341893 657823 CC1=CC(=NN1C(=O)CN2C(=O)CCC2=O)C 1 -0.209 3 3 0 -14.237591592856 657822 C1CCC2=C(C3=C(N2CC1)C(=O)N(C=N3)CC4=CC=CC=C4Cl)C#N 1 3.987 4 1 -9.28760632244066 657821 CCOP(=O)(C1=CC=CC=C1)C2=C(OC(=N2)C3=CC=C(C=C3)F)N4CCCCC4 1 4.922 2 3 0.423635173114617 657820 CCN(CC)C1=NC(=C2COC(CC2=C1C#N)(C)C)C 1 2.08 3 1 -12.4673831757227 657819 CCCCCC(C(C)CC(=O)NC1CCCCC1)C(=O)O 1 4.072 1 3 -14.5799849933951 657817 CN1C(=CC(=O)N(C1=O)C)OC2=CC=CC=C2NCC3=C(C=CC(=C3)Br)O 1 3.54 3 4 0 -1.82924805728778 657816 CN1C=NC2=C1C=CN=C2N3CCCCC3 1 1.399 4 0 0 -0.105568419665012 657815 CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC 1 2.595 2 2 -6.10234700868818 657814 C1CCC(CC1)C(=NO)C2=CC3=C(C=C2)OCCO3 1 3.549 1 3 -1.8638154453173 657812 CCOC1=CC=CC=C1C(=O)NC(C(=O)OCC)(C(F)(F)F)NC2=NC=CC=N2 1 2.552 4 4 0 -13.8733244840626 657811 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(N(N=C3C)C4=CC=CC=C4)Cl 1 4.081 6 1 0 -4.91860228176588 657810 CCOC(=O)C(C(F)(F)F)(NC(=O)C)OCC1=CC=C(C=C1)F 1 2.486 1 4 -6.17389343985299 657809 CCOC1=CC(=C(C=C1)Br)C2(CC(N(CC2C)C)C)O 1 3.099 1 2 -9.08771915324272e-002 657808 C1CC(=O)C(=C2C=CC3=CC=CC=C3N2C1)C#N 1 2.203 2 1 -7.07840355142144 657805 CC1=NN2C(=NN=C2Cl)C=C1 1 1.296 4 0 0 -5.29606084089185 657804 CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C 1 3.455 5 3 0 -7.19816365789648 657803 CN1C(=CN=C1C2CC(=O)C3=C(O2)C=CC(=C3)Cl)Cl 1 2.616 2 2 1.46115794343723 657802 CC(=O)N1C=C(C2=CC=CC=C21)C3C(=O)CCCC3=O 1 2.091 1 3 -2.21774675320572 657801 CCCCOC(=O)N1C2=CC=CC=C2OC1=O 1 3.302 1 4 1.74594166403012 657800 CN1C2C(N(C1=O)C)N(C(=O)N2CN3CCCCC3)CN4CCCCC4 1 1.494 6 2 0 -5.27175816787996 657799 CN1C(=C(C=N1)N=CC2=CC=C(C=C2)N(C)C)C(=O)N 1 1.532 5 1 0 -2.42807188394737 657798 CCOC(=O)C(C1=CC(=C(C=C1)NC(=O)C2=CC=CO2)OC)(C(F)(F)F)O 1 2.55 1 6 0 -10.6032991284762 657797 CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=CC=C1)OCC 1 2.619 2 4 -6.90317521174882 657796 C1=CC=C(C=C1)CN(CC2=CC=CC=C2Cl)C3=NC=NC4=C3NC=N4 1 3.675 5 0 0.440191401851703 657795 CC1=CC2=C(C(C(=C(O2)N)C#N)C34CCC(C3)C=C4)C(=O)O1 1 1.392 2 3 0 -7.7628099367644 657794 C1CC2=NC(=CN2C1)C3=CC=C(C=C3)Cl 1 3.05 2 0 2.91999444527012 657793 CCN(CC)C(=NC1=C(NC2=C1C=C(C=C2)F)C(=O)OCC)C 1 3.108 3 2 -4.53652599238235 657792 CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C=N2)CC4=CC=CC=C4 1 3.388 4 2 -12.4502149135631 657791 CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)F)OCC 1 2.824 2 4 -6.31341771397305 657790 CC1=CC(=NC(=N1)N(CN2C(=O)C3=CC=CC=C3C2=O)C#N)C 1 1.275 5 2 0 -4.50428248551423 657789 CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC2=CC=C(C=C2)F 1 3.346 1 4 -7.76682889951609 657788 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC3=CN=CC=C3)CC4=CC=CC=C4 1 2.441 5 3 0 -14.3846200363408 657787 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC=C)CC3=CC=CC=C3Cl 1 3.29 4 3 0 -18.5402180488858 657786 CC1=CC(=C(C=C1)C)NC(=O)C2=CC=CC=C2O 1 3.345 1 2 -1.9271806967432 657785 CCCCC1=C2COC(CC2=C(C(=N1)N3CCOCC3)C#N)(C)C 1 2.65 3 2 -13.2536561500599 657784 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3C(=O)OCC 1 3.827 2 5 0 -8.44005296046524 657783 CC1=C(C(=C(N1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)N(C(=O)C)C(=O)C)C#N 1 3.536 3 3 -7.95267334434295 657782 CC1=C2COC(CC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)C#N)(C)C 1 2.929 4 2 -12.258145975949 657780 COC1=C(C=CC(=C1)C(C(=O)OC)(C(F)(F)F)O)NC(=O)C2=CC=CO2 1 2.201 1 6 0 -10.2950906670448 657779 C1CCC2=C(C1)N(C3=C([N+]2=O)CCC3)[O-] 1 0.596 2 2 0 -4.55244014462944 657778 CCN1C(=C(N=N1)C(=O)O)C(=O)O 1 0.34 3 4 0 -11.2519059299399 657776 CN1C2=C(N=C1OCC=C)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C 1 3.29 4 3 0 -7.79173185786176 657775 C1=CC=C(C(=C1)C(=O)O)NC(=O)CCCC(=O)O 1 0.881 1 5 0 -15.5819426344926 657774 C1CC=C(C1)N2C3=CC=CC=C3NC2=O 1 2.051 2 1 -5.61243951332025 657773 C1CN(C2=NC3=CC=CC=C3C(=C21)N)C4=CC=CC=C4 1 3.002 3 0 4.37066613445151 657772 CN1C2=C(N=C1NCC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4F)C 1 2 6 2 0 -11.7907623121422 657769 C1CC2=C(C1)[N+](=O)C=C(N2[O-])C3=CC=CC=C3 1 0.641 2 2 0 -2.04400277100271 657768 CCOC(=O)CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC(=O)OCC)C 1 0.997 4 6 0 -16.5661078976623 657767 CCCCNC1=C(C(=O)CC(C1)(C)C)Br 1 2.63 1 1 -9.24222224526731 657765 CCCCC(C(C)CC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)O 1 4.1 3 3 -8.56186538712738 657764 CCCCN1C2=CC=CC=C2C3=C(C1=O)NC(=O)CO3 1 0.985 2 3 0 -4.55084989500763 657763 CN1CCCCC2=C1N=C3CCCCC3=C2N 1 3.141 3 0 -1.09545293658439 657762 COC1=C(C=C(C=C1)CCCNC(=O)CC#N)OC 1 1.761 2 3 0 -17.5633003001919 657761 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCO)CC3=CC(=CC=C3)C(F)(F)F 1 1.826 5 3 0 -10.7771012219719 657759 CC1=CC=C(C=C1)CN2C3=C(N=C2N4C(=CC(=N4)C)C)N(C(=O)NC3=O)C 1 2.96 6 2 0 -10.1179153936375 657758 C1=CC=C(C=C1)P(=O)(COCCO)C2=CC=CC=C2 1 2.712 0 3 -4.12472234386076 657757 CC1=CC=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4F 1 4.277 4 3 0 -5.28375590814056 657756 CN1C(=O)NC2(C1(N(C(=O)N2C)C)C3=CC=CC=C3)C4=CC=CC=C4 1 2.336 4 2 -6.31814197271386 657755 CC(C=C)N1C2=C(N=C1Br)N(C(=O)NC2=O)C 1 1.673 4 2 0 -6.43466724628865 657754 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCOC)CC3=CC(=CC=C3)C(F)(F)F 1 2.173 5 3 0 -15.5162913073088 657753 CCOP(=O)(C1=CC=CC=C1)C2=C(OC(=N2)C3=CC=CC=C3C)N4CCCCC4 1 5.202 2 3 -1.07556836383983 657752 CC1=CC=C(O1)C2=C(N(C3=C([N+]2=O)CCC3)[O-])C 1 0.695 2 3 0 -3.21852839370725 657751 C1=CC=C(C(=C1)C=NN2C=NN=C2)F 1 1.25 4 0 0 2.25681464403324 657750 CC1(CC2=C(C(=O)NC(=C2CO1)C3=CC=CC=C3Cl)C#N)C 1 2.309 2 2 -8.10009594804632 657749 CC12CC3(CN(C1)C(N(C2)C3)C4=C(C=C(C=C4)Br)O)C 1 3.386 2 1 0.862543559366529 657748 CC(=O)OCP(=O)(C)COC(=O)C 1 -0.109 0 5 0 -2.78284092780389 657747 CC1=C(C(=NN1C2=NN3C(=NN=C3Br)C=C2)C)Br 1 3.064 6 0 -4.13594491965991 657746 CN(C1=CCCCC1CCC#N)C(=O)C2=CC=C(C=C2)Cl 1 3.719 2 1 -5.36890913470274 657744 CN1CC=C2C(C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)Cl 1 1.623 5 0 0 5.77336284749562 657743 CCN1C(=O)N(C2(C1(N(C(=O)N2C)C)C3=CC=CC=C3)C4=CC=CC=C4)C 1 2.89 4 2 -4.00101081733387 657742 CC1=CC2=C(N1C)C=CC3=NON=C32 1 2.044 3 1 2.13980696664278 657741 CCCC1=C(C=C(C(=C1)C(=O)CC2=CC=C(C=C2)F)O)O 1 4.389 0 3 8.29120348199043 657740 C/C(=C(\C#N)/C(=O)N)/NCCCN1C=CN=C1 1 -1.057 5 1 0 -11.5609763800943 657739 CCC1(C(=NC(=O)N(C1=O)C)NCC2=CC=CC=C2)CC 1 2.794 3 2 -2.06088098528818 657738 C1CC2=C(C(=C(N2C1)C(=O)C3=CC=C(C=C3)Cl)N)C#N 1 3.022 3 1 -4.81645748959776 657737 CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(COC3=CC=CC=C3OC)O 1 1.784 4 5 0 -9.27510722043821 657736 CCCCCC(C(C)CC(=O)NCC=C)C(=O)O 1 2.831 1 3 -18.2223496290517 657735 CC1=CC(=NN1C2=NC3=C(N2CC4=CC(=CC=C4)Br)C(=O)NC(=O)N3C)C 1 3.222 6 2 0 -9.96712288237077 657734 CC1=C([N+](=O)C2=C(N1[O-])CCC2)C 1 -8.e-002 2 2 0 -5.25512544420413 657724 CC(C)CC1=NC(=O)NN1 1 0.584 3 1 0 -2.24025550533594 657723 CC1(CC2=CC=CC=C2C3=C1C(=O)N(C4=NN=NN34)C5=CC=CC=C5)C 1 3.186 5 1 -13.4460035955019 657722 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NC 1 1.384 5 0 0 -4.66321496940447 657721 CC1=CC2=C(N1)C=CC(=C2N=O)NO 1 2.295 3 2 -0.490150719848882 657720 C1CCC(CC1)N2CCC3=C(C4=CC=CC=C4N=C32)N 1 3.284 3 0 1.97861137674449 657718 CC1=CC2=C(C=C1C)N(C=N2)N 1 1.826 3 0 0 0.117899816666357 657717 CC(C)NCC(CN1C2=CC=CC=C2C3=C1C4=C(CC3)N(N=C4)C5=CC=CC=C5)O 1 4.654 4 1 2.19419100572072 657714 CC1=C(NC(=C1C(=O)OC)C)C(=O)C 1 1.442 1 3 0 -9.12574530239263 657713 COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N 1 2.066 3 4 0 -4.88778760345848 657712 CN1CCC2=C(C(=NC(=C2C1)N3CCOCC3)N4CCCCC4)C#N 1 2.094 5 1 -7.22401461304887 657711 CCCN1C2=CC=CC=C2C(=O)C(=C1O)CC3=CC=CC=C3 1 4.813 1 2 0.172049283227291 657710 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)C=C 1 -0.451 5 3 0 -6.95676973366141 657709 C1C[C@@]2([C@@](CC(=[N+]2[O-])C3=CC=CC=C3)(C4=NON=C41)O)N 1 -0.375 4 3 0 0.185024788245714 657708 CC1(CC2(C(=[N+]1[O-])CCC3=NON=C32)O)N4CCOCC4 1 -1.159 4 4 0 -5.76531443995843 657707 CCC(CC)(C(=O)NC1=CC=C(C=C1)C(=O)OCC)C(=O)OCC 1 3.331 1 5 -9.17628338796065 657704 CC1(CC2=C(C(=NC(=C2CO1)C3=CC=CC=C3)N4CCOCC4)C#N)C 1 2.735 3 2 -8.76040023201517 657703 CCC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(NC4=CC=CC=C4C3=O)O 1 2.318 4 4 0 -10.3945328929746 657702 C1C2(CN3CN1CN(C2)C3)C(=NCCO)C4=CC=CC=C4 1 1.002 4 1 0 -3.76655519474191 657701 CN1C(=O)N(C2(C1(NC(=O)N2)C3=CC=CC=C3)C4=CC=CC=C4)C 1 2.13 4 2 -6.96218546670312 657700 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCC(=O)NCCO 1 1.394 2 4 0 -11.2003557328055 657699 C1CCC23C(C1)CC4=C(N2C5=CC(=C(C#N)C#N)C=CC5=N3)CCCC4 1 3.973 4 0 -3.34184250375378 657698 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC4=CC(=CC=C4)OC 1 2.11 5 4 0 -17.8592849691385 657697 CCCCOC(=O)CN1C(=O)C2=C(N=C3N2CCCCN3C4=CC=C(C=C4)C)N(C1=O)C 1 3.543 5 4 0 -14.5503487128392 657696 CCC1(C(=O)N=C2N1C(=O)C3=CC=CC=C32)CC 1 2.436 2 2 -3.18694445529364 657695 CN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C 1 0.695 5 2 0 -2.02867710543542 657694 CC1=NN=C(C2=CC=CC=C12)OC3=CC=CC=C3 1 3.502 2 1 0.660010747901598 657693 CC(C)NC1=NC(=NC(=N1)N(C)N2C=NN=C2)NC(C)C 1 0.371 9 0 0 -5.75445401582907 657692 CCCN1C2=C(N=C1N3CCN(CC3)CC(=O)C4=C(N(C5=CC=CC=C54)C)C)N(C(=O)NC2=O)C 1 2.508 7 3 0 -6.40917631964984 657689 CC(C)NC(=O)N1CCOCCOCCN(CCOCCOCC1)C(=O)NC(C)C 1 -0.283 4 6 0 -13.8728822741475 657686 CCC(C(=O)O)OC1=CC2=CC=CC=C2C=C1 1 3.211 0 3 -1.91473250966994 657685 CCCOC1=CC=C(C=C1)CC2=NNN=N2 1 2.19 4 1 -4.07199012806779 657684 CC(C(=O)OC1=CC2=C(C=C1)C=CC(=O)O2)NC(=O)OC(C)(C)C 1 2.785 1 6 0 -16.2295588914096 657682 CN1C2=C(CCCC2=NO)[N+](=C1C3=CC=C(C=C3)OC)[O-] 1 1.874 3 3 0 -2.04436564141367 657681 CC1=NC2=NNC(=C2C3=C1COC(C3)(C)C)N 1 0.777 4 1 0 -8.97617122494451 657680 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)OC3=CC=C(C=C3)C(=O)C 1 3.348 4 2 -6.32994825323986 657678 CCOC(=O)C1=C(C=CC=C1OCC(=O)N)C 1 1.357 1 4 0 -8.05651345510888 657677 CCOC(=O)CNC(=O)CCCCCC(=O)NCC(=O)OCC 1 0.277 2 6 0 -17.2765170844928 657676 CC1=CC(=NC(=N1)N(CC(=O)N(C2=CC=CC=C2)C(C)C)C#N)C 1 2.18 5 1 -8.44635369425805 657675 C1CC2=C(C(=O)C1)N=C(N2O)C3=CC=CO3 1 -0.269 2 3 0 -0.416657946598475 657673 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCOC)CC3=CC(=CC=C3)OC 1 1.276 5 4 0 -18.8752704790639 657672 CCC(=O)NC1=NC(=O)C(=C(N1)C)OC2=CC=CC=C2 1 1.478 3 3 0 -9.41229029912554 657671 CCCC(=O)NN1C=NC2=C(C1=O)C3(CCCC3)CC4=CC=CC=C42 1 2.98 3 2 -11.4125300539372 657670 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=N3)CC4=CC(=CC=C4)OC 1 1.993 6 3 0 -17.2906783180761 657668 C1CCC2=NN=C(N2CC1)CC3=CC=CC=C3 1 2.788 3 0 -8.3847993455448 657667 CCOC(=O)/C(=C\1/CCCCCN1C)/C#N 1 1.902 2 2 0 -6.13815606859925 657666 CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=NC=C3 1 -0.192 6 0 0 4.53783119472435 657665 CCOC1=CC=C(C=C1)CCNC(=O)C(C2=CC=CC=C2)O 1 2.657 1 3 -10.5516385887234 657664 CCCCC(=O)C1CCN(CC1)CC2=CC=CC=C2 1 3.685 1 1 1.18869618441767 657662 CCCC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(NC4=CC=CC=C4C3=O)O 1 2.774 4 4 0 -9.96646282669166 657661 CC1=CC(=NC2=C(C3=C(N12)COC(C3)(C)C)C#N)C 1 1.69 3 1 0 -13.9632668367864 657660 C1=CC=C(C=C1)OCCOC(=O)C2=CC=CC=C2N 1 2.571 1 3 -5.7210299229973 657659 CC1=C(C2=C(N1OC)C=CC3=NON=C32)C(=O)C 1 -0.645 3 3 0 -1.16160927324584 657658 CCOC(=O)C1=CC(=CN=C1)NC(=O)C2=CC=CC=C2 1 1.668 2 3 0 -9.35563423926699 657657 CCCCNC(=O)N1CCOCCN(CCOCCOCC1)C(=O)NCCCC 1 1.053 4 5 0 -13.7029343624329 657656 CN1C(=CC(=O)N(C1=O)C)NCCN2CCCCC2 1 0.668 4 2 0 -9.13059535397539 657655 CN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)OC1=O 1 2.95 1 3 -1.84251413436532 657654 CC1(CC2=C(C(=NC(=C2CO1)CC3=CC=CC=C3)N4CCOCC4)C#N)C 1 2.77 3 2 -13.3932615072987 657653 C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)CN(CCO)CCO 1 1.944 3 3 0 -4.63745175058089 657650 C1CCC(CC1)N2CCC3=C(C(=NC(=C3C2)N4CCCCC4)N5CCOCC5)C#N 1 3.952 5 1 -7.63400476255824 657649 C1=CC=C(C=C1)N2NC3=CC=C4C=NN=C4C3=N2 1 1.126 5 0 0 -3.11782279289331 657648 COC(=O)CN1C2(CCCCC2CC3C1(CCCC3)C#N)C#N 1 3.155 3 2 -5.67103547893612 657647 CC(C)(C)C(=O)NC1=C2CCCC2=NC3=C1CCCC3 1 3.93 2 1 -11.4898265183653 657645 CCCOC1=CC=C(C=C1)C2C(=O)NC(=O)N2 1 1.414 2 3 0 -15.2596528514301 657644 C1CCC23C(C1)CC4=C(N2C5=CC(=C(C#N)C(=O)N)C=CC5=N3)CCCC4 1 3.097 4 1 -5.18399444832645 657643 CCC1(C(=O)NC(=O)N=C1NC2=CC(=CC=C2)OC)CC 1 2.565 3 3 -5.07126800930462 657642 CN1C(=O)C2=C(C1=O)C=C(C=C2)N(C)C 1 1.024 2 2 0 -6.20120206133887 657641 CC(C)CCN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)CC(=O)N)C 1 0.106 6 4 0 -16.5227015431109 657640 CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)C 1 1.08 4 1 0 -11.6600574638726 657617 CC1=NN(C2=C1C(=O)NC(=O)C(C2)(C)C)C3=CC=CC=C3 1 2.406 3 2 -4.16702822267729 657616 CCN1C(=O)C(=NN2C1=NC3=CC=CC=C32)C 1 1.7 4 1 0 -1.64909916339355 657615 CC1=NC(=C(C(=C1C#N)C2=CC=CC=C2)C(=O)C)NC 1 2.447 3 1 -6.45430094977273 657614 CC(C)CC(C(=O)NCC1=CC=CC=C1)NC(=O)OC(C)(C)C 1 3.307 2 3 -20.7666373071712 657613 CN1C2=C(N=C1OCC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C 1 2.441 5 3 0 -6.23643737976441 657612 CCOC(=O)C1=C(NC(=O)C1CC(=O)NC2=CC=CC=C2)C 1 0.717 2 4 0 -21.6009596709863 657611 C1CCC2(CC1)NC3=CC(=C(C#N)C#N)C=CC3=N2 1 1.762 4 0 0 2.71595431163155 657610 CCC1=C2COC(CC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N)(C)C 1 2.931 4 2 -16.9225973727077 657609 CC1=CC2=NN=CN2C(=N1)CC3=CC=CC=C3 1 1.934 4 0 0 -2.17113269387875 657608 CCOC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)CN4CCOCC4 1 2.854 3 3 0.830136637234079 657607 C1CCC2(C(C1)CC3CCCCC3(N2CCO)C#N)C#N 1 2.908 3 1 0.110932011111743 657606 CCCCCCNC=C1C(=O)CC(CC1=O)(C)C 1 2.41 1 2 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CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=N2 1 2.481 4 3 0 -16.4387534996501 657480 C1COCCN1CCC(=O)NCCC#N 1 -0.706 3 2 0 -13.7089759836061 657479 CC(=C)C1=CC=C(C=C1)C(C)(C)NC(=O)N2CCN(CC2)C 1 2.697 3 1 -6.18059555580151 657478 C1COCCN1C2=C3C=CC=C4C3=C(C=C2)C5=NC6=CC=CC=C6N5C4=O 1 3.853 3 2 -2.68557026971938 657477 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5 1 2.713 5 4 0 -18.5653479191322 657476 COC(=O)C1=NNC2=CC=CC=C21 1 1.757 2 2 0 -9.68195781084619 657475 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)CN3CCOCC3 1 1.892 2 3 0 -3.43671189799594 657474 COC(=O)[C@H]1[C@H](C2(CCC1CC2)C(=O)NC3=CC=CC=C3)C(=O)OC 1 2.194 1 5 -4.41761113762354 657473 C/C(=C(/C#N)\C(=O)N)/NCCCN(C)C 1 -0.66 4 1 0 -13.0231387223548 657472 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)N 1 2.358 2 2 -1.0488616753064 657471 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CCC4=CC=CC=C4 1 2.448 5 3 0 -19.0875377987913 657470 CC(=O)CCN1C(=O)N(C(=O)N(C1=O)CCC(=O)C)CCC(=O)C 1 -0.552 3 6 0 -9.56068160038134 657469 CC(=O)N[C@H]1C[C@@H]1C2=CC=CC=C2 1 1.214 1 1 0 -5.0629366951832 657468 CC1=CC(=NN1C2=NC3=C(N2C)C(=O)NC(=O)N3C)C 1 0.89 6 2 0 -6.78064117590533 657467 COC1=CC=CC(=C1)NC(=O)CC2=C(NC3=CC=CC=C3C2=O)O 1 2.415 2 4 -7.41409145630274 657466 CCCOC1=CC=CC=C1C(=O)NCCCC(=O)O 1 1.945 1 4 0 -15.869073045072 657465 CC1(CC(=O)C(=C2C3=CC=CC=C3CC(N2)(C)C)C(=O)C1)C 1 2.574 1 2 -12.2579301252474 657464 C1CCC2(C(C1)CC3CCCCC3(N2CC4=CC=CC=N4)C#N)C#N 1 4.095 4 0 -1.49376853335077 657463 CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN(C)C 1 1.745 3 3 0 -10.8977699969192 657462 CN1C2=C(C=C1C3=CC=CC=C3)C4=NO[N+](=C4C=C2)[O-] 1 1.018 3 2 0 7.4834170911294 657461 CCN(CC)C1=CC=C(C=C1)C2CC(=O)NC3=C2C(=O)CC(C3)(C)C 1 2.868 2 2 -21.2386335771113 657459 CN1C2=C(CCCC2=NO)[N+](=C1C3=CC=CC=C3)[O-] 1 1.891 3 2 0 -2.10591584858473 657458 CCC1=C2COC(CC2=C(C(=N1)NC3CCCCC3)C#N)(C)C 1 3.702 3 1 -14.3562446359793 657456 C1CN(CC2=C1C3=C(NN=C3N=C2NCC4=CC=CC=C4)N)CC5=CC=CC=C5 1 3.224 6 0 -6.81833680971593 657455 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N 1 0.38 2 3 0 -3.56900661363254 657454 CC1=C2COC(CC2=C(C(=N1)NCCN)C#N)(C)C 1 0.348 4 1 0 -10.5296949719831 657428 CC1CC(=CC(C1(COC(=O)N)COC(=O)N)C)C 1 1.857 2 4 0 -3.65467795569622 657427 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CC=C3)NC4=CC=CC=N4 1 3.571 4 1 -12.4701975851685 657426 C1C2(CN3CN1CN(C2)C3)C(=O)C4=CC=CO4 1 0.676 3 2 0 -4.26160724336007 657425 CCOC(=O)C1=C(OC2=C(C1C3=CC=CO3)C(=O)CCC2)N 1 1.362 1 5 0 -22.287269560723 657423 CN1CCC2(CC1)C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C.O.[OH-] OH- H2O 1 -0.37 6 0 0 2.99082024240234 657395 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)[O-])C(=O)[O-])C.[Na+] Na+ 1 -2.556 2 6 0 -9.06657762653997 657368 CC[C@@H]1[C@H]([C@H]2[C@@](O2)(C=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)CC=O)C)C)C 1 2.338 1 9 0 -6.8155742741049 657356 C1CN(CCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCN4C(=O)C5=CC=CC=C5NC4=S 1 6.577 3 1 -5.27226221425929 657349 CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C.[N+](=O)(O)[O-] NO3 1 0.965 2 2 0 -2.32322725163284 657346 C[C@H]1OC[C@H](O1)C[N+](C)(C)C.[I-] I- 1 -1.289 1 2 0 -5.74303023754559 657319 COC1=C(C=C(C=C1)C(=O)NC2=CN=CC=C2)C(=O)NC3=CN=CC=C3 1 1.081 4 3 0 -8.30947785229971 657314 C[C@H]1CCCC=CC2C[C@@H](CC2[C@@H](C=CC(=O)O1)O)O 1 2.152 0 4 -0.633412453606899 657312 C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-].[Na+] Na+ 1 -1.178 0 11 0 -9.66848058401741 657308 CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-] Br- 1 1.092 1 3 0 -8.41162230278354 657298 CCCC1=CC(=O)NC(=S)N1 1 1.575 2 1 0 -7.33593770531903 657297 C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[N+](=O)([O-])[O-] NO3 1 -0.531 1 4 0 -10.1882644301833 657287 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)[O-])C(=O)[O-])C.[Na+] Na+ 1 -2.218 2 6 0 -10.8835180582272 657272 C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O 1 -4.131 1 6 0 -7.02659370613583 657262 C1=CC=C(C=C1)NNC(=S)N=NC2=CC=CC=C2 1 5.023 4 0 2.48614252322968 657250 C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC2CC3C(C(CC(O3)(CC(CC4C(O4)C=CC(=O)OC(CC=CC=CC=CC=C2)C)O)O)O)C(=O)O)O)N)O 1 -2.824 1 13 0 -7.54212992043118 657237 C1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N=C(N=C2N)F 1 -1.312 5 4 0 -11.3351166730838 657174 CC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CO3 1 3.188 2 3 -3.56266026473152 657169 C1=CC2=C(C(=C1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=CC=C2 1 2.695 3 3 -10.1973945542779 657154 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F 1 4.738 3 3 -3.03022974985274 656783 CC(C)NC[C@@H](C1=CC(=C(C=C1)O)O)O.Cl Cl- 1 1.099 1 3 0 4.67722749428509 656765 CCN1C2=CC(=C(C=C2NC1=O)Cl)Cl 1 2.576 2 1 -1.40023276631443 656743 CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3 1 3.028 1 6 0 -9.37877813439802 656667 CC1=C([C@H](C(=C(N1)C)C(=O)O[C@@H]2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl Cl- 1 3.978 3 6 0 -21.749503834633 656664 CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl Cl- 1 2.608 2 2 -4.28504743801541 656601 CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.Cl Cl- 1 1.665 2 3 0 -7.97172729049689 656385 COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)OC)C#N 1 2.666 2 3 -11.8651110003296 656384 CCC1=NN=C(S1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3 1 3.056 3 3 -13.252949172032 656382 C1COCCN1C(=O)CSC2=NN=C3N2C(=NC4=C3C=C(C=C4)F)C5=CC=CC=C5 1 3.176 5 2 0 -10.8340564779117 656381 CC1=CC2=C(C=C1)N=C(O2)CCC3=NC4=C(O3)C=C(C=C4)C 1 4.254 2 2 1.34927176704813e-002 656380 CC1=C(SC2=C1C(=O)NC(=N2)CN(C3CCCC3)C(=O)C4=CC=CS4)C 1 3.533 3 2 -11.8213448814823 656379 CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CS3 1 3.397 2 3 -8.56665865458342 656376 CC1=NC=C(C=C1)C2=NN=C(S2)N(C)C(=O)C3CCCO3 1 1.02 4 2 0 -13.2973077404676 656375 CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3CCCO3)C(=O)NC4CCCCC4)C 1 3.731 3 3 -15.8828206712992 656374 CC(=O)N=C1N(C2=CC=CC=C2S1)C 1 2.148 2 1 -5.81010323000536 656373 CCOC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)NC=N3)N)C#N)OC 1 1.163 4 4 0 -18.6236399687307 656371 COC(=O)C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)Cl)N)C(=O)OC 1 1.946 2 6 0 -5.8002580348829 656370 C1C(=O)SC(=NCC2=CC=CO2)N1CC3=CC=CC=C3 1 2.86 2 2 -5.55395977348052 656369 CCCCC(=O)NC1=NC=C(C=C1)NC(=O)C2CC2 1 1.796 3 2 0 -10.8239614694816 656368 CCCNC(=O)NC1C(N(C(=O)N1C)C)NC(=O)NCCC 1 0.121 6 3 0 -13.1769424935331 656367 CC1=CC(=NC(=C1C#N)N(C2=CC(=CC=C2)OC)C(=O)C)C 1 2.752 3 2 -6.96948923726346 656366 CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=N2)C 1 2.618 2 2 -4.52680697796898 656365 C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4)C(=O)C5=CC=CS5 1 2.176 6 2 0 -11.0467995911101 656364 CC(C)C(C1=NN=NN1CCOC)N(CC2=CC=CC=C2)CC3=CC4=C(C=CC(=C4)OC)NC3=O 1 3.136 6 3 0 -18.19909091549 656362 C1CC(N(C1)C2=NC=CC=N2)C(=O)O 1 0.192 3 2 0 -3.52751180515911 656361 COC1=C(C=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3N)OC 1 1.362 6 3 0 -9.30937912082281 656359 CC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC=N3)N 1 2.065 3 1 9.82715106727607 656358 C1CCC(CC1)NC(=O)C2CCN(CC2)C3=NC=CS3 1 1.907 3 1 0 -2.35563042344151 656355 CCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)NC3CCCCC3 1 2.092 5 2 0 -15.7212188850232 656354 CCCOC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)NC=N3)N)C#N)OC 1 1.687 4 4 0 -17.2878447853345 656353 CC1CCC(CC1)NC(=O)C2CCN(CC2)C3=NC=CN=C3 1 1.4 4 1 0 -3.6003033735605 656352 CC1=C(SC2=NC(=NC(=C12)NCCNC(=O)C3=CC=CO3)C)C 1 2.299 4 2 -9.19734941857808 656351 C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)Cl 1 1.814 2 2 0 -15.6615238380178 656350 CCCCNC(=O)C1CCCN1C(=O)NC2=CC(=CC=C2)OC 1 2.12 3 3 -14.7686424193027 656348 CCS(=O)(=O)CCSC1=NC(=CC(=N1)C)C 1 1.626 2 2 0 -11.1114324619596 656347 CC1=NC2=C(C(=N1)N3CCOCC3)OC4=CC=CC=C42 1 1.707 3 2 0 2.46693813203791 656346 CCOC1=CC=CC=C1C2CC(=O)NC3=CC4=C(C=C23)OCO4 1 2.66 1 4 -10.7133062145273 656344 CC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.593 4 2 -7.63141625157041 656343 CCN1C(=NN=C1SCC(=O)OC2CCCCC2)C3=CC=NC=C3 1 3.172 4 2 -11.0438911437495 656342 C1CCC2=NC3=C(C(=O)N2CC1)C4(CCCC4)CC5=CC=CC=C53 1 3.934 2 1 -8.48469986853483 656339 C1CN(CCC1C(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C4=NNN=N4 1 2.001 6 3 0 -19.5429718834324 656338 C1CCC(CC1)NC(=O)CN(CCCN2CCOCC2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F 1 1.783 7 3 0 -12.0245081614571 656337 CC1=NN=C(N1C2=CC=CC=C2OC)SCC(=O)N 1 1.158 4 2 0 -14.6780217359917 656336 CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)C3=C(OC=C3)C 1 3.926 3 2 -5.29862794991392 656335 C1CN(CCN1C2=CC=CC=C2)C(=O)C34CC5CC(C3)CC(C5)C4 1 3.764 2 1 1.99880932125441 656334 CC1=CC=C(C=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)CNCCN(C)C 1 2.677 5 1 0.371789368440614 656333 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCCN3CCOCC3 1 2.075 3 3 -13.3279721209493 656332 CC1=CC(=NC(=N1)SCC2=NN=C(O2)SCC(=O)OC3CCCCC3)C 1 3.479 4 3 0 -20.6413736216132 656330 C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NC4=CC=CC=C4Cl)N=N2 1 3.761 6 0 -4.94143361882298 656327 CCCCC(C1=NN=NN1C2CCCC2)N3CCN(CC3)C4CCCCC4 1 4.545 6 0 -21.4977190821593 656326 CC1=CC(=NC=C1NC(=O)CC2=CC=CC=C2)NC(=O)C(C)C 1 2.773 3 2 -11.7800937714004 656325 CCOC(=O)C1=CC2=C(N1C(C)C(=O)OCC)C=C(S2)C 1 3.463 1 4 -6.33210158467557 656324 CC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)NC)C 1 2.244 3 2 -11.7943486782056 656323 COC1=CC=CC=C1N2C(=O)C3C4CC(C3C2=O)C=C4 1 1.67 1 3 0 -7.38306393176561e-002 656322 CC(C)OC(=O)CSC1=NC2=C(N1C3CCCCC3)N=CC=C2 1 3.975 3 2 -16.3167303831895 656321 C1=CSC=C1C2=CSC3=C2C(=O)NC=N3 1 1.717 2 1 0 -1.88353322108651 656320 CN1C(=NN=N1)SCC2=CC=CC=C2F 1 2.012 4 0 -15.6154497993636 656317 CN(C)S(=O)(=O)C1=CC2=C(C=C1)C(=O)NC2CC(=O)O 1 -0.334 2 5 0 -15.8613537470305 656316 CCCCC1=C(N=C(NC1=O)SCC(=O)N2CCOCC2)O 1 1.662 3 4 0 -20.439107368768 656315 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.732 2 5 0 -10.7471139924909 656314 CCOC(=O)CC1=C(NC(=NC1=O)C2=CC=CC=C2)C 1 1.63 2 3 0 -12.4343869132614 656313 C1=CC(=CC=C1OC2=CC=C(C=C2)S(=O)(=O)CC(=O)O)S(=O)(=O)CC(=O)O 1 1.405 0 9 0 -6.94638212654172 656312 CCCN1C(=NN=C1SCC(=O)N)C2=CC=CO2 1 1.53 4 2 0 -10.0679242496216 656311 C1CCC(CC1)(C(=O)NCCCN2CCOCC2)NC(=O)NC3=CC=CC=C3 1 1.822 4 3 0 -12.6896677858246 656302 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CCN1C(=NN=C1SCC(=O)NCC2=CC=CS2)C3=CC=CO3 1 2.535 4 2 -17.5369889361366 655641 CC1=C(C=CO1)C2=NN=C(N2CC3CCCO3)SCC(=O)C4=CC=C(C=C4)Cl 1 3.936 3 3 -14.1333385635595 655639 CCCCCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC(=O)N)C 1 1.524 5 3 0 -16.1162136589697 655638 CC1=C(SC2=C1C(=NC(=N2)C3CC3)SCC(=O)NCC4=CC=CO4)C 1 3.363 3 2 -17.6966451154212 655637 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC(COC4=CC=CC=C4)O 1 0.587 5 5 0 -5.165176392939 655636 CCN1C(=NN=C1SCC(=O)NC2=NC(=C(S2)C(=O)OC)C)C(C)C 1 2.285 5 3 0 -21.1525563573378 655635 CCCC1(C2C(C(N1)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N(C2=O)CC)C(=O)OCC 1 2.052 2 7 0 -4.85212879259454 655634 CCN1C(=NN=N1)SCC(=O)NCC2=CC=CS2 1 0.955 5 1 0 -28.2979329723543 655632 C1CCC(CC1)NC(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)Cl 1 3.974 2 2 -5.43752309664317 655631 CCOC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)N4CCN(CC4)C 1 2.325 4 2 -3.85806026106994 655629 C1=CSC2=C1N(C(=C2)C(=O)O)CCC(=O)O 1 1.933 1 4 0 -6.80214470710025 655628 COCC(=O)NC1=NN=C(S1)SCC(=O)NCC2=CC=CS2 1 0.627 4 3 0 -26.6227227989404 655627 COCCN1C(=NN=N1)CN2CCC(CC2)NC(=O)C3=CC=C(C=C3)Br 1 0.853 6 2 0 -24.725264979308 655626 C1CN2CN1CN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.472 3 2 0 -10.3789389161044 655625 CC1=CC=CC2=C1N=C(C(=C2)C#N)N3CCN(CC3)C 1 2.42 4 0 3.25790954800562 655624 C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4)C#N 1 4.591 2 2 -5.71248625664099 655622 COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)OC3CCCCC3)OC 1 3.037 4 4 0 -6.42976812151369 655621 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OC3CCCCC3 1 4.15 2 3 -17.4888379897735 655620 C1C(=O)N(C2=CC=CC=C2O1)CC3=CC=CC=C3Cl 1 3.073 1 2 -1.70709226848984 655619 CN(C)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O 1 2.784 1 4 -3.81592046782585 655618 CCOC(=O)CN1C(=O)C2=C(N=C(N2C)N3CCCCC3)N(C1=O)C 1 0.957 5 4 0 -9.57853059957058 655617 CC1=CC=C(O1)C2=NOC(=N2)C3CCCN(C3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C 1 2.149 3 5 0 -7.62436012111245 655616 CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 2.396 3 4 0 -6.65560117834478 655615 CN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CO3 1 1.353 4 2 0 -13.5997973023043 655614 CC1=CC(=NC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 3.188 3 3 -16.2680959546593 655613 CCOC1=CC(=C(C=C1)OCC)NC(=O)C2CCCN(C2)C3=NC(=CC(=N3)C)C 1 2.736 4 3 0 -3.73499726433274 655612 CC1=C(C=C(C=C1)NP(=O)(C)OC2=CC=CC=C2OC)C 1 3.33 1 3 2.47053401665901 655611 C1CCC(C1)N2C(=NN=N2)C(C3=CC=NC=C3)N4CCOCC4 1 1.065 6 1 0 -21.6378619861941 655610 COC1=CC=CC(=C1)C(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCOCC4 1 2.827 3 4 0 -14.1447276401988 655606 CC1=CC2=C(C=C1)N=C(N=C2C)NC3=NCN(CN3)CCN4CCOCC4 1 1.803 7 1 0 -6.94263081279856 655605 C1CCC(CC1)NC(=O)N2C3CCCC2CC(C3)NC(=O)C4=CC=C(C=C4)F 1 3.442 3 2 -8.62735785036285 655604 CCC(=O)NC1=NC=C(C=C1)NC(=O)C2=CC=CC=N2 1 1.068 4 2 0 -10.1212728514605 655603 CC1=C(C(=CC=C1)NC(=O)CCC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CO3)OC)C 1 3.07 3 6 0 -11.1182456269908 655602 CCC(=O)NC1=NC=C(C(=C1)C)NC(=O)C2=CC=CO2 1 1.671 3 3 0 -6.28543043892781 655601 CCOCC(=O)NC1CCSC1=O 1 -0.26 1 3 0 -16.0232151464836 655600 CC1=NC2=C(C=C(C=C2)NC(=O)N3CCSCC3)N=C1C 1 1.613 4 1 0 -6.11538973789472 655599 C1CCN(CC1)C(=O)NC2=CC(=CC=C2)OC(=O)N3CCCCC3 1 2.956 3 3 -7.63946290172077 655598 CCC(=O)N(CC1=CC2=C(C=CC(=C2)OCC)N3C1=NN=N3)C4CCCCC4 1 3.148 5 2 0 -11.5021934913188 655597 COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4)OC 1 3.029 5 4 0 -23.2955609307861 655587 CCN1C(=NN=C1SCC(=O)N2CCCC3=CC=CC=C32)CNC4=C(C=C(C=C4)C)C 1 4.763 5 1 -18.9303811438389 655586 C1=CC(=CC=C1C2=NC3=C(C=C(C=C3N2)N)Cl)N 1 2.441 4 0 8.44584294373398 655585 CC1=CC2=NC(=CN2C=C1)C(=O)NC3=CC=CC=C3N4CCOCC4 1 2.119 4 2 -9.52039192176128 655584 COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=C4C=CC=N5)O 1 3.832 2 3 -11.7363293020777 655583 CC1=CC(=C(C=C1C(C)C)S(=O)(=O)NCCCN2C=CN=C2)OC 1 2.209 3 3 -4.96427060420582 655582 CCN1C(=NN=N1)SCC(=O)NC2=NC(=CS2)C3=CC=CS3 1 2.106 6 1 0 -19.3970590710969 655581 COC1=CC=C(C=C1)NC2=NC(=CS2)C(=O)NCCCN3CCOCC3 1 1.249 4 3 0 -7.0533480246002 655577 CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)CN4CCN(CC4)C 1 3.812 2 3 8.75057051460144 655576 C1=CC=C(C(=C1)CNC(=O)CCN2N=C(N=N2)C3=CC=CS3)Cl 1 3.014 5 1 -15.0340123575965 655573 CCC(=O)NC1=C(C(=C(S1)C(=O)N2CCCCC2)C)C#N 1 2.391 3 2 -17.987528450713 655571 COC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NCCCO 1 1.418 2 5 0 -18.8311007462396 655570 CC1=NN=C(N1CC2CCCO2)SCC(=O)N 1 -4.4e-002 4 2 0 -22.0489287567484 655569 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NC(=CC(=N4)C)C 1 3.345 5 1 1.65195652575686 655568 CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NS(=O)(=O)C 1 2.144 2 5 0 -12.1026458918053 655567 CC(C)C1C(=C(OC2=NNC(=C12)C(C)C)N)C#N 1 2.795 4 1 -4.79824013790462 655565 CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3COCCO3)C(=O)C4CC4 1 1.221 2 5 0 -20.237764623433 655564 CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F 1 1.181 2 3 0 -16.9256112770144 655563 CC1=C(SC2=C1C(=NC(=N2)C(C)C)SCC(=O)NCC3=CC=CO3)C 1 3.735 3 2 -18.0127134110692 655562 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC4=C(C(=C3)OC)OCO4 1 1.742 4 4 0 -8.19069985610121 655561 CC1CCCN(C1)CC(=O)NC2=C(C=C(C=C2)NC(=O)C)Cl 1 1.977 3 2 0 -7.09933422257395 655560 C1CC2=C(C(=O)C1)N=C(S2)NC(=O)C3=NC=CN=C3 1 0.559 4 2 0 -12.0546882776397 655559 CC1(CC2=C(C(=O)C1)C3(CCN(CC3)CC4=CC=CC=C4)C(=C(O2)N)C#N)C 1 2.565 3 2 -8.65139701284675 655558 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC3=CC=CC=C3 1 2.261 4 2 -15.2399921367899 655557 CC1=CC(=NC(=N1)N2CCC(CC2)CNC(=O)CCC3=CC=CC=C3)C 1 2.577 4 1 -10.7729819438542 655556 COC1=CC=C(C=C1)CN(C2=CC=C(C=C2)F)C(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)F 1 5.033 3 3 -9.74666478677624 655554 CN1CCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.713 3 5 0 -18.0825934755399 655553 CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)N 1 2.044 2 2 -3.76108018505782 655552 CC1=CC2=C(C(=O)O1)C3(C4=CC=CC=C4N(C3=O)C)C(=C(O2)N)C#N 1 0.414 3 4 0 -6.73532593585274 655551 CCCCCN1C2=C(N=C1SCCCC)N(C(=O)NC2=O)C 1 3.891 4 2 -10.2594021443988 655550 COC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)N3CCOCC3)OC 1 1.133 3 5 0 -15.9469465395875 655549 CN1C(=NN=C1SCC(=O)C2=CC=CS2)C3=CC=CO3 1 3.012 3 2 -8.97017873738761 655548 COC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)NC3CCCCC3)OC 1 2.633 3 4 0 -16.7303264005815 655546 C1CCC(C1)N2C(=NN=N2)C(C3=CC=NC=C3)N4CCN(CC4)C5=CC=CC=C5F 1 3.212 7 0 0 -16.7404782789774 655545 CN1C2=CC=CC3=C2C(=CC=C3)C1=NO 1 1.966 2 1 0 8.32338677268771 655544 COC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)N3CCOCC3 1 2.176 3 3 -10.0292421724428 655543 CCOC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)OCC)OCC 1 2.585 1 5 -13.4760493451782 655542 CC(=O)NC1CC2CCCC(C1)N2CC(=O)NC3=CC=CC=C3 1 1.095 3 2 0 -9.15069362665771 655541 C1CCC(CC1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)C(=O)CNC(=O)C4=CC=CO4 1 1.961 3 6 0 -18.4232818992029 655540 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CN=CC=C3 1 1.239 2 3 0 -10.60871218305 655538 CC1=CC(=NO1)NC(=O)CSC2=NC(=NC3=C2C(=C(S3)C)C)C(C)C 1 3.684 4 2 -21.4314088171958 655537 CCOC(=O)CCC1=C(N=C(C(=C1C)C#N)SCCN2CCCC2)C 1 3.702 3 2 -15.5254058774515 655536 C1CCC(CC1)NC(=O)CN(C2=CC=C(C=C2)Cl)C(=O)CNC(=O)C3=CC=CO3 1 2.858 3 4 0 -14.8525016802881 655535 CC1=C(SC(=N1)NC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)N=CC=C3)C 1 3.328 5 1 -16.102469741593 655534 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 2.633 2 2 -3.73703250532291 655533 CCC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2 1 2.409 2 2 -2.36082480370552 655532 CCN1C(=NN=C1SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)C4=CC=NC=C4 1 2.089 6 3 0 -11.4209031759515 655531 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)OC 1 3.028 4 2 -10.902588686936 655530 CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC(=CC=C3)Cl)SCC#N)C 1 4.081 6 0 -13.0808493166985 655529 CCOC1=CC=CC=C1N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)NC3=CC=CC=N3 1 1.296 4 5 0 -25.2256365213359 655528 CC(C)CCN1C(=NN=N1)C(C2=CC=C(C=C2)N(C)C)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.145 7 2 0 -22.2311291592935 655527 CC(=O)C1=CC=C(C=C1)NC2C(C(C(C(O2)CO)O)O)O 1 -0.777 1 6 0 -18.3478045788406 655526 CC1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)NC4=CC=CC(=N4)C 1 4.16 5 1 -10.1636275921263 655525 CC(CCC1=CC=CO1)NC(=O)NC2=CC(=CC=C2)F 1 2.863 2 2 -6.17819311178298 655524 C1CC(OC1)CNC(=O)C(C2=CC=C(C=C2)F)OC(=O)C3=CC=CO3 1 2.423 1 5 -14.7305652748666 655523 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)CC 1 0.507 2 6 0 -29.3275471909297 655522 CCOC(=O)CSC1=NN=C(O1)C2=C(C=C(C=C2)Cl)Cl 1 3.597 2 3 -11.0137517908424 655521 CC1=NC(=NO1)C2=CC=C(C=C2)OC3=CC=CC(=C3)NC(=O)C 1 2.161 3 3 1.06480577189312 655519 CC1=CC=CC=C1C(=O)NCC2=CC=NC=C2 1 1.957 2 1 0 -10.6134974179775 655518 CC1=C(C=CO1)C2=NN=C(N2CCOC)SCC(=O)N3CCCC3 1 1.253 4 3 0 -19.0965007189191 655517 CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C 1 1.424 2 3 0 -11.394398543017 655516 CCN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2OC)COC3=CC=CC(=C3)C 1 3.609 4 4 0 -15.6888966788552 655515 CCOC(=O)C1=CN=C(N=C1N)SC2CCC3=CC=CC=C3C2=O 1 3.032 3 3 -2.76567792089677 655513 CCOC1=C(C=CC(=N1)C)C2=NOC(=N2)C3=CC=CC=C3OC 1 3.132 3 3 -2.50634486130107 655512 CCCCN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)F 1 2.394 5 1 -24.3376704046724 655511 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=NN=CO2 1 0.943 3 3 0 -8.09481203009139 655510 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC 1 9.9e-002 3 2 0 -10.900848576082 655508 CC1=C(N=C2C=C3C(=CC2=C1)OCCO3)SCC(=O)OC 1 3.076 1 4 -10.6457861341549 655507 CC1=CC(=C(C=C1)NCC2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)OC)C 1 4.084 3 3 -11.8680590240649 655506 CCNC1=NC(=NC(=N1)NC#N)SCC(=O)OCC 1 1.06 6 2 0 -14.767409456554 655505 CCCC1=NC2=NC=NN2C(=C1)N3CCCC(C3)C(=O)NC4=C(C=CC(=C4)Cl)OC 1 4.387 6 2 0 -7.22459110646107 655504 CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)Cl)Cl 1 2.636 5 0 3.84849807791418 655503 CCN1C2=CC=CC=C2C(=O)C(=C1O)C3=CC=CC=C3 1 3.833 1 2 3.53325519821939 655502 CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=O)C3=CC=CC=C3F 1 2.208 2 4 -8.23910562598197 655501 COCCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CCC(=O)NC2=CC=CC=N2 1 0.686 4 4 0 -21.2061818149449 655500 COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 2.359 2 3 -4.63596196219564 655499 CC1=CC(=NO1)NC(=O)CSC2=NC(=NC3=C2C4=C(S3)CCCC4)C(C)C 1 4.436 4 2 -26.8319218512664 655498 CCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)OCC)C=C1C#N 1 3.618 3 2 -20.1281621769888 655497 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5 1 3.739 4 2 -2.86698166607047 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2.636 5 2 0 -15.7397663369402 655375 CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3=NC=CN=C3 1 1.253 5 3 0 -21.0553347849544 655374 CC1=CC(=NO1)NC(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.082 2 2 -10.7013786539018 655373 COC(=O)C1=C2N(C3=CC=CC=C3O2)C(=C1C(=O)OC)Cl 1 2.903 1 5 -3.26002603587889 655372 COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC(=CC=C3)O)OC 1 2.015 3 5 0 -6.15586432057508 655370 CCCCN1C(=NN=N1)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.094 6 3 0 -27.0311058638847 655369 COC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)C3=NC=CN=C3 1 0.857 4 2 0 -3.56854465377006 655367 CN(CCO)C(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=O 1 1.797 1 3 0 -2.43822262930277 655365 CC1=CC=CC=C1C2=NN=C(O2)SCC(=O)NC3=CC(=CC(=C3)C)C 1 4.307 3 2 -12.473325821867 655362 CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=C4C(=C(C=C3)OC)C=CC=N4 1 2.175 4 3 0 -13.0439783247049 655361 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)OC 1 2.366 2 5 0 -5.86987464673145 655344 C1=CC=C(C=C1)CN2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CN=CC=C4 1 2.213 2 4 -15.1255772996701 655343 C1CCC2=C(CC1)NN=C2C(=O)O 1 2.171 2 2 -6.75265803476966 655342 CCOC1=CC=CC=C1N(CC(=O)NCC2=CC=C(C=C2)OC)S(=O)(=O)C 1 1.906 2 5 0 -20.6871833306719 655340 CC1=CC(=NC(=C1C#N)N2CCCC(C2)C(=O)N)C 1 1.637 4 1 0 -5.65940255490654 655339 CC1=CC2=CC(=C(C=C2N3C1=NN=C3SCC(=O)NC4=NOC(=C4)C)C)C 1 4.258 5 2 0 -23.3073757709505 655336 CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=NC=CN=C3 1 1.791 5 1 0 -9.03797369071264 655333 CC(C)C(C(=O)NC(C)C(=O)N)NC(=O)C1CCCN1C(=O)OC(C)(C)C 1 0.535 4 5 0 -22.8772812504066 655332 CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)N3CCOCC3)CC(=O)N4CCOCC4)C 1 -0.324 3 6 0 -11.9441505197217 655331 CC1CC2=C(O1)N=C3C(=CC=CC3=C2C)C 1 3.963 1 1 1.58287219801598 655330 CCC1=NN=C(S1)NC(=O)C2=C(N3CCC4=CC=CC(=C43)C2=O)O 1 2.227 4 3 0 -10.5821730804048 655329 CCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C(C)C 1 1.368 2 3 0 -5.64907247195431 655328 CC1=NC2=C(CCC2)C(=N1)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)OC 1 2.392 4 2 1.60511170428049 655327 CC1=CC(=O)N2C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)SC2=N1 1 1.471 3 3 0 -2.02958958813942 655326 COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2Cl)NC(=O)CN3CCOCC3 1 2.076 3 4 0 -13.6651530656734 655325 CC1=C(C2(C(=O)C3=CC=CC=C3C2(N1)O)O)C(=O)OCC=C 1 0.691 1 5 0 -15.1304503525416 655324 COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NCCS3 1 3.105 3 2 -12.9304299960128 655323 CCCCOC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CO3 1 3.761 2 3 2.50793022630336 655321 CC1=CC=CC=C1OCCCC(=O)NC2=NC=CS2 1 2.502 2 2 -8.16886625763736 655320 CC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=CO2 1 1.882 1 5 0 -14.5921993387963 655319 CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.512 3 3 -9.58669035997825 655318 C1CCC(CC1)NC(=O)CN2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3 1 2.875 5 1 -17.4818229525692 655317 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3 1 1.498 3 3 0 -19.1982735459371 655316 CC1=CC(=NC(=N1)SCC2=NN=C(N2C)SCC(=O)N3CCCC4=CC=CC=C43)C 1 3.482 6 1 0 -21.9077178549605 655313 CC1=NC=CN1CC(COC2CCCCC2)O 1 1.4 2 2 0 1.79422166718965 655311 CCOC(=O)C1=CC(=C(O1)C)CNC(=O)C2=C(OC3=C2CCCC3)C 1 2.998 1 5 -15.4858435886155 655310 CC(=O)OC(C1=CN=CC=C1)C(=O)NCC2=CC=CO2 1 0.414 2 4 0 -13.8503380631109 655309 CN(C)CC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC24CCCCC4 1 3.023 3 1 -6.49303835085895 655308 C1CCC2=C(C1)C(=O)C3=C(N2)C=CC(=C3)Br 1 3.53 1 1 -9.00502406599009 655307 C1C(SC(=NC1=O)N)C(=O)NCCC2=CC=CC=C2 1 1.448 3 2 0 -11.6223728674763 655305 CC1=NC2=NC=NN2C(=C1CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=C(C=CC=C5OC)OC 1 4.047 6 3 0 -14.91450371254 655304 COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=CO4 1 3.401 3 4 0 -14.6895371495579 655303 CC1CCC(CC1)NC(=O)CN2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3 1 3.127 5 1 -19.7255320986817 655302 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NN=NN3CC4=CC=CO4 1 2.952 6 1 0 -9.56248370656991 655301 C1CCC(C1)NC(=O)C2CCCN2C(=O)NC3=CC=CC=C3 1 2.21 3 2 -10.4938284360269 655300 CCC(C1=NN=NN1C(C)(C)C)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C 1 4.126 6 0 -8.0492926947683 655299 CCN1C2=C(N=C1SCC(=O)NCC3=CC=CO3)N(C(=O)N(C2=O)C)C 1 1.157 5 4 0 -27.4910893757013 655297 CC1=NC2=NC=NN2C(=C1)N3CCN(CC3)C4=NN=NN4C5=CC=CC=C5 1 1.662 10 0 0 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CC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=CO3 1 3.234 2 3 -8.64216071416243 655283 COC1=CC=C(C=C1)S(=O)(=O)N(CC2=NC(=O)C3=CC=CC=C3N2)C4CCCC4 1 2.848 3 4 0 -8.91256682586088 655282 C1CCC(C1)N(CC2=NC(=O)C3=CC=CC=C3N2)C(=O)NCC4=CC=CC=C4 1 3.076 4 2 -8.95833765305216 655281 CC(C)(C)N1C(=NN=N1)CN2CCN(CC2)C3CCCC3 1 1.697 6 0 0 -5.70477910194679 655280 COC1=C(C(=CC=C1)OC)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4CCC4 1 3.049 3 4 0 -8.49974111840365 655279 CC1=CC2=C(C=C1)OC=C(C2=O)C(C3=NN=NN3CC4=CC=CC=C4)N5CCOCC5 1 2.401 5 3 0 -14.0394608306532 655278 C1=CC=C(C(=C1)NCC2=C3C=CC=NC3=C(C=C2)O)F 1 3.372 2 1 5.20238055922401 655276 COC1=C(C=C(C=C1)C2=NN=C(C=C2)NCCC3=CCCCC3)OC 1 4.328 3 2 -4.37650875541206 655275 COC1=CC(=C(C=C1)C2=NN=C(O2)SCC(=O)OC)OC 1 1.886 2 5 0 -14.0305432821392 655274 CCCC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CN=CC=C3 1 2.373 3 2 -2.36115980383232 655273 CCOC(=O)C1=C(N=C(S1)SCC(=O)NC2=CC=C(C=C2)N(C)C)N 1 2.455 4 3 0 -17.5768421294982 655272 CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CO3)OC 1 3.07 3 6 0 -13.9455902602888 655271 C1CCC(CC1)NC(=O)NCCN2CCN(CC2)C(=O)NC3CCCCC3 1 2.437 5 2 0 -14.8990487492423 655269 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCC3=CC=CS3 1 1.693 2 3 0 -13.7138830748075 655267 COC1=CC=C(C=C1)OCC(=O)NC2=CC(=CC=C2)OC 1 2.417 1 4 -5.07015759847591 655266 C1CCN(CC1)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O 1 3.066 2 3 3.04638063095783 655265 COC1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)O 1 1.011 4 4 0 -15.3316571316284 655263 C1CCN(C1)C(=O)C2=CN=C(C=C2)NC3=CC=CC(=C3)C(F)(F)F 1 2.948 3 1 -0.584967895845589 655259 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC4=CC=CC=C43 1 3.958 3 2 -20.5156477739317 655258 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N(N=C3C)C4=CC=CC=C4)Cl 1 3.282 4 3 0 -18.650635308272 655257 CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(N3C)C=CO4 1 3.61 2 6 0 -9.98405116897573 655255 CC(=O)NC1(CCN(CC1)C(=O)N2CCOCC2)C3=CC=CC=C3 1 7.3e-002 3 3 0 -7.79907854642323 655254 CC(=O)CC1=CC=CC=C1OC(=O)C2=CC=CO2 1 2.422 0 4 -5.80035712372771 655222 C1CN(CCN1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)C5=CC=CC=N5 1 4.175 4 1 6.7184145264787 655221 CCOC(=O)N1C(=O)C2=C(S1(=O)=O)C=CC(=C2)OC 1 1.325 1 6 0 3.06579262970915 655219 CC1=CC=C(C=C1)NC(=O)C2=C(N=C(N=C2C)NC3=NC4=CC=CC=C4O3)C 1 3.388 5 2 0 -4.82328038602926 655218 C1CC2=C(C1)NC(=NC2=O)SCC(=O)NC3=CC(=CC=C3)Cl 1 2.867 3 2 -16.5022894114808 655217 CC1=CC2=CC=CC=C2N3C1=NN=C3SCC(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 3.053 5 3 0 -15.3024189491542 655216 C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=CC=CC=C2)N 1 1.693 4 2 0 -19.8194963999581 655215 COCCC(=O)N(CC1=CC2=C(C=C1)OCO2)C(C3=CC=NC=C3)C(=O)NC4CCCCC4 1 2.402 3 5 0 -16.8795274512157 655214 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC(C)COC 1 1.042 2 3 0 -13.6635953581028 655213 CCN1C2=C(N=C1SCC(=O)NCC3=CC=CS3)N(C(=O)N(C2=O)C)C 1 1.715 5 3 0 -28.1858545433359 655212 CCOC(=O)CSC1=C(C(=C(C(=N1)N)C#N)CC(C)C)C#N 1 3.016 4 2 -15.1848833993707 655211 CC1=C(SC(=N1)C)C2=CSC(=N2)NCC3=CC=CC=C3 1 2.984 3 0 5.94367155964008 655210 COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)F 1 0.823 1 4 0 -15.0069671628998 655208 CCC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)F)C)N4CCOCC4 1 3.448 4 1 -3.2928845698508 655206 C1CCC2(C1)C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C#N 1 3.199 3 1 -15.0406485814784 655205 C1C(=O)N(C2=CC=CC=C2O1)CC(=O)N(CC3=CC(=CC=C3)F)CC4=CN=CC=C4 1 2.313 3 3 -8.54527290421056 655203 CN1CCN(CC1)CCC(=O)NC2=CC(=CC(=C2)Cl)OC 1 1.81 3 2 0 -2.85146455368948 655202 CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)O 1 1.15 2 3 0 -11.1200548455495 655201 CCCC(=O)NC1=NC=C(C(=C1)C)NC(=O)C2=CC=NC=C2 1 1.582 4 2 0 -13.4282948084119 655200 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCCN3C=CN=C3 1 0.6 4 2 0 -11.5562406591231 655199 CC(CC1C(=C(SC(=C1C#N)N)N)C#N)C2=CC=CC=C2 1 2.627 4 0 -5.46876928179695 655197 CC(C(=O)NC1=NC=CC=N1)OC2=CC=C(C=C2)Cl 1 2.34 3 2 -5.96589377444145 655194 CCN1C2=C(N=C1SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC)N(C(=O)N(C2=O)C)C 1 2.577 6 4 0 -21.2798869603824 655192 CCCN1CCN(CC1)C2=NC=NC3=C2N=NN3CC4=CC=CC=C4 1 2.555 7 0 0 -4.16608004990003 655191 CN1C(=O)CC(SC1=NC2=CC(=CC=C2)F)C(=O)NC3=CC(=CC=C3)OC 1 3.297 3 3 -2.18840595113589 655188 C1CCC2(CC1)N(C(=O)CS2)CCO 1 0.83 1 2 0 -2.32190523140474 655187 CN1C2=C(C=NC=C2)N=C1C3=CC(=C(C(=C3)OC)OC)OC 1 2.276 3 3 -0.264266991309756 655186 CC1=CC2=C(C=C1C)N=C(N2)C3=CN=C(C=C3)SCC(=O)NC4=NOC(=C4)C 1 3.948 5 2 0 -12.0011630747 655185 CCS(=O)(=O)N1CCN(CC1)C2=NC(=CS2)C3=CC=CC=C3 1 1.672 3 2 0 -12.1459652243879 655184 CC1=CC=CC=C1NC(=O)CSC2=C(C(=CC(=N2)C)COC)C#N 1 2.848 3 2 -18.0987910846253 655182 CN(C1=NN=C(S1)C2=CC(=CC=C2)OC)C(=O)C3CCOC3 1 1.574 3 3 0 -7.07956262062167 655181 C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)C4=NC=CC=N4 1 1.246 5 2 0 -2.42073351024831 655179 C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=CC=CC=N3 1 2.48 4 1 -17.9431141270892 655178 COC1=C(C=C(C=C1)CN(C2=NC=CS2)C(=O)C3=CC=CS3)OC 1 3.321 2 3 -9.25423646810055 655177 CC(C)N1C(=NN=N1)SCC(=O)N2CCOCC2 1 -9.7e-002 5 2 0 -21.8270827203247 655176 C1CC(CC1=O)(C2=CC=CC=C2)C(=O)O 1 1.492 0 3 0 -5.28370593377648 655174 C1CN(CCC1NC(=O)C2C3CC(C2C(=O)O)C=C3)CC4=CC=CC=C4 1 -1.425 2 3 0 -2.47957909222447 655172 CN1C(=C(C=N1)N)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 1.751 4 1 0 0.350845852172023 655170 C1CCC(CC1)NCCC2=NC3=CC=CC=C3N2 1 3.183 3 0 0.452008836811306 655169 CC1=CC(=NC(=N1)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C 1 2.878 4 1 6.26765737285347 655168 CC1=C(N2C=CC=CC2=N1)C(=O)NC3=CC=C(C=C3)NC(=O)C 1 1.186 4 2 0 -7.12012237591359 655167 CC1=C(C(=O)N=C(N1)C)C2=CC=CC=C2 1 1.245 2 1 0 -4.89295386636084 655166 CCCCOC1=CC=C(C=C1)CSC2=NN=CN2N 1 2.681 4 1 -9.9930266852457 655165 CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N(CC(=O)NC3CCCC3)C4=CC(=CC=C4)OC 1 3.279 6 3 0 -9.72103334080296 655163 CN1C(=NN=C1SCC(=O)N)COC2=CC3=CC=CC=C3C=C2 1 2.006 4 2 -9.28533156819571 655162 COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC(=CC(=C3)OC)OC 1 2.745 2 6 0 -11.476733962546 655161 CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3C)CSC4=NC=CC=N4 1 2.838 6 1 0 -18.6957608374853 655160 C1COCCN1C(=O)CCNC2=NNC(=O)NC2=O 1 -2.235 5 4 0 -23.4095230269708 655159 CCOC(=O)C1=CC=CC=C1NC(=O)CC2C(=O)N(C(=NC)S2)C 1 1.735 3 4 0 -16.8466280513992 655158 CCC(=O)N(CC1=CC2=CC(=C(C=C2NC1=O)C)C)C3CCCCC3 1 4.043 2 2 -9.25412706692055 655157 COC1=CC=CC=C1CNC2=NC=NC3=C2N=NN3CC4=CC=CC=C4 1 3.087 6 1 0 -9.94563353197841 655156 C1=CC(=CN=C1)C2=NN=C(O2)C3=CC=CS3 1 1.857 3 1 0 -3.04794711435391 655154 CCN(C1=NN=C(S1)C2=CN=CC=C2)C(=O)COC3=CC=CC=C3 1 2.253 4 2 -7.95540107170831 655153 CCC1=C(N=C(N2C1=NN=C2SCC(=O)N3CCCC(C3)C)N)C 1 2.561 6 1 0 -17.2953529787567 655152 CN1C2=C(C=C1C(=O)OCC(=O)NCC3=CC=CS3)SC=C2 1 2.812 2 3 -12.9278017816518 655149 CC1=CC(=NC(=N1)NC2=CC=CC=C2Br)C 1 2.798 3 0 -0.814528348303837 655148 CS(=O)(=O)C1=CC=C(C=C1)C2=NNN=N2 1 0.825 4 2 0 -5.3050499967258 655147 CCC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 1.797 2 3 0 -6.2623041852175 655145 COC1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3NC(=O)C4CC4 1 2.003 6 3 0 -3.8388660607654 655144 CCOC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)C 1 3.299 4 2 -9.1560977373603 655143 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0 -13.1000716125196 651999 C1CCC(CC1)NC(=O)N(CCN2CCOCC2)CC3=CC4=CC5=C(C=C4NC3=O)OCCO5 1 2.012 4 5 0 -12.0695057753722 651998 CCOC(=O)C1CCN(C1=O)S(=O)(=O)CC2=CC=CC=C2 1 1.173 1 5 0 -16.1186338582416 651997 CC(=O)NC(CC1=CC(=C(C=C1)OC)OC)C(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)Cl 1 2.1 4 5 0 -15.282743078401 651996 CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3CCCO3)C(=O)NC4CCCCC4 1 3.731 3 3 -16.1978321879996 651995 CC1=CC=C(C=C1)S(=O)(=O)NCCOCCNS(=O)(=O)C2=CC=C(C=C2)C 1 2.142 2 5 0 -6.29343623668062 651994 COC1=CC=C(C=C1)CN2C(=NN=N2)C(C3=CC=CS3)N4CCOCC4 1 2.334 5 2 0 -15.7439266692223 651993 C1CC(OC1)CN2C(=NN=N2)CN3CCCC4=CC=CC=C43 1 1.968 5 1 0 -29.4678632967397 651992 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CN=CC=C3 1 1.232 2 3 0 -6.9386221901198 651991 C1CCC(C1)NC(=O)C(C2=CC=C(C=C2)F)OC(=O)C3=CC=NO3 1 2.817 2 4 -12.7074919256775 651990 CC1=NN=C(N1N=CC2=CC(=CC(=C2OC)Br)Br)C 1 3.047 4 1 5.78240397093923 651989 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.761 2 5 0 -7.68597312815957 651988 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CCC(=O)N(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C3=C(C=CC(=C3)C)C 1 3.745 2 3 -8.35516369294741 650770 CC1=NC2=NC=NN2C(=C1)NC3C4CC5CC(C4)CC3C5 1 3.128 5 0 -8.34018986861668 650769 CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)OC)OC)CCCN3C=CN=C3)O 1 0.483 3 5 0 -19.7458265361128 650768 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4 1 3.258 3 3 -4.24547363822093 650767 CCN1C(=O)C2C(C1=O)C(NC2C3=CC(=C(C=C3)O)OC)(C)C(=O)OC 1 0.514 2 6 0 -0.466493961382012 650766 CC(C)CCNC(=O)CN(CC1CCCO1)C(=O)CCC(=O)NC2=NC=CS2 1 0.576 4 4 0 -32.1533979787002 650763 C1=CSC(=C1)C2=CC=C(N2CCC(=O)O)CCC(=O)O 1 2.613 1 4 -9.55925843695201 650761 COC1=CC(=C(C=C1CSC2=NC=NN2)OC)CSC3=NC=NN3 1 2.651 6 2 0 -10.5928637618711 650759 CCSC1=NC2=CC=CC=C2N1CC(=O)N3CCCCC3 1 3.166 3 1 -11.3763914959828 650758 CN(C1=NN=C(S1)C2=CC=CC=C2OC)C(=O)C3CCCO3 1 1.871 3 3 0 -12.1657874270843 650757 CSC1=NC2=CC=CC=C2N1CC(=O)N3CCCCC3 1 2.817 3 1 -8.57495508653606 650756 CCN1C(=O)C2=C(N=C(N2C)SCC3=CC=CC=N3)N(C1=O)C 1 1.98 5 2 0 -9.90309508320751 650754 CC(C)(C#N)NN1C=NN=C1 1 -0.566 5 0 0 -3.94431223349348 650753 CC1=C(SC(=N1)NC(=O)C2=CC=CO2)C(=O)NC3=CC=C(C=C3)Br 1 3.114 3 3 -7.10975501262131 650752 CCN(CC)C(=O)NC1CC2CCCC(C1)N2CC3=CC=CC=C3 1 2.942 3 1 -4.57321118583067 650751 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CC3CCC(C2)N3CC4=NN=NN4C(C)(C)C 1 1.798 7 3 0 -19.1270940689157 650750 CCC(=O)NC1=CC=CC=C1C2=NN(N=N2)CC(=O)N3C(CC4=CC=CC=C43)C 1 2.587 6 2 0 -10.4137787268598 650749 CCOC(=O)C1=CC2=C(N1CC(=O)NCCC3=CC=CC=C3)C=C(S2)C 1 3.888 2 3 -13.7739839224843 650748 CC1=C(N2C=C(C=CC2=N1)Br)NC(C)(C)C 1 2.88 3 0 -3.25254735165822 650747 CC1(CC(=O)C(C(=O)C1)C(C2=CN=CC=C2)C3=C(CC(CC3=O)(C)C)O)C 1 2.061 1 4 -4.76573780216209 650746 C1CCC(C1)NC(=O)C(C2=CN=CC=C2)N(CC3=CC=CO3)C(=O)CNC(=O)C4=CC=CS4 1 2.052 4 4 0 -22.6368648966591 650745 C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 3.311 2 3 -11.5348724627669 650744 C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=CN(N=N3)CCC4=CC=CC=C4 1 2.718 5 2 0 -31.7834670379328 650743 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(O3)C4=CC=CS4 1 3.539 3 2 -18.951879190155 650742 CCCS(=O)(=O)C(=C1NCCO1)S(=O)(=O)CCC 1 1.22 1 5 0 -13.000129871612 650741 C1CCC(CC1)N2C(=NN=C2SCC(=O)N)CC3=CC4=C(C=C3)OCO4 1 2.923 4 3 0 -18.3891762452537 650740 CC1=C(C=C(C=C1)NC(=O)CS(=O)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)Cl 1 1.956 3 4 0 -1.74744449657058 650739 CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCN(CC3)C 1 2.876 4 0 5.08035144829043 650738 CCCCC(=O)N(CCOC)C1=NN=C(S1)C2=CC=C(C=C2)OC 1 2.987 3 3 -6.70013178477293 650737 COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC3=NC(=O)C4=CC=CC=C4N3 1 3.029 3 4 0 -11.5150599539134 650736 C1=COC(=C1)CNC(=O)COC(=O)CCC(=O)NC2=NC=CS2 1 -0.157 3 5 0 -22.1450721953323 650735 CCN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=NC=C3 1 2.819 3 4 0 -8.29014516683853 650734 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NNC(=N3)C 1 0.642 6 2 0 -20.3161266358149 650732 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCOC3=CC=CC=C3 1 1.824 2 5 0 -23.3980816164669 650731 CCCCC1=C(NC2=CC=CC=C2C1=O)O 1 3.467 1 2 -3.97560741891901 650730 CC1=NC(=CC=C1)NC(=O)NC2=CC=CC(=N2)C 1 1.865 4 1 0 -2.69065984643743 650729 CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N(C)C 1 4.344 4 0 -7.92684856794536 650728 CC(C)CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=NC=C3 1 2.792 3 3 -3.09752337695159 650727 CC1=CC(=NO1)NC(=O)CN2C(=O)C3=C(N=N2)SC4=C3CCCC4 1 2.777 5 3 0 -31.6941895502962 650726 C1=CC=NC(=C1)NC(=O)NC2=CC=NC=C2 1 0.76 4 1 0 -2.37681762636325 650725 C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CN=CC=C5 1 2.94 5 2 0 -18.1336738453482 650724 CC(=O)NC1CCC(C1)(C2=CC=CC=C2)C(=O)O 1 1.409 1 3 0 -8.77339490575672 650723 COC1=CC=C(C=C1)NC(=O)CC(CC2=CC=CC=C2)C(=O)O 1 2.73 1 4 -6.55710461384804 650722 C1CN2C3=C(C=CC=C31)C(=O)C(=C2O)C(=O)NCC4=CC=CC=N4 1 1.897 3 3 0 -7.79846655023546 650721 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3F 1 2.09 2 4 -14.934110053053 650720 C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC=N2 1 2.079 2 1 -9.51740140725293 650719 COC1=CC=C(C=C1)C(C(=O)NCC2CCCO2)OC(=O)C3=CC=CO3 1 2.201 1 6 0 -15.784365560841 650718 CC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N3CC(CC3=O)C(=O)NCC=C 1 2.032 3 4 0 -18.8902130345965 650717 C1CC1C(=O)NC2CC3CCC(C2)N3C(=O)NCC4=CC=CC=C4 1 1.599 3 2 0 -10.9952123412235 650716 CN(C1=NN=C(S1)C2=CC=CC=N2)C(=O)C3=CC=CC(=C3)C#N 1 2.376 5 1 -5.3749584313008 650713 CC(C)OC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C)OC 1 1.652 5 2 0 -0.745293515758464 650709 CC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NC3=CC(=CC=C3)NC(=O)C 1 1.991 4 3 0 -10.8554470049434 650708 CC(C)CCOC1=CC=CC(=C1)OCC(=O)NC2CCS(=O)(=O)C2 1 1.945 1 5 0 -16.7811611022702 650707 C1=CC=NC(=C1)C2=NOC(=N2)C3=CC(=CC=C3)Cl 1 3.087 3 1 9.79789796706112 650706 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)OC 1 2.361 1 4 0.661534599712324 650705 CC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)C3CCN(CC3)CC4=CC=CC=C4 1 2.883 5 2 0 -3.03222830670975 650704 CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CCO)CC2=CC3=C(C=CC(=C3)OC)NC2=O 1 1.561 2 7 0 -18.106317854397 650703 CC1=C(SC2=C1C(=NC=N2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)C 1 2.366 4 3 0 -13.8075900868009 650664 CN(C)C1=CC=[N+](C=C1)CC2=CC=CC=C2.[Br-] Br- 1 3.18 2 0 0.895767504462022 650702 C1CC(CN(C1)C(=O)NC2=CC=CC=C2)C3=NC(=NO3)C4=CC=CS4 1 3.027 4 2 -4.20001046904287 650701 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C(C)(C)C 1 2.571 1 4 -11.3850442586354 650699 C1=CC=C(C=C1)NC(=O)NC2=CC=CC3=C2N=CC=C3 1 2.709 3 1 -5.94630312496445 650697 C1COCCN1CC2COC3=CC=CC=C3N2 1 1.296 2 2 0 -2.6084442862462 650696 CC(C)CC(C1=NN=NN1CCC2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.304 6 2 0 -22.8882717297171 650695 CC1=CC=CC=C1C(=O)NC2CCN(CC2)CC3=NN=NN3CC4=CC=C(C=C4)F 1 2.511 6 1 0 -22.0146996000219 650694 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(O3)CNC4=CC=C(C=C4)F 1 3.451 4 2 -19.1086504986247 650693 CC1=CC=C(C=C1)N2C3=C(C(C(=C(O3)N)C#N)C4=CC=CS4)C(=N2)C 1 3.724 4 1 -7.97259972506069 650691 CCCCNC(=O)NS(=O)(=O)C1=CC=C(O1)C(=O)OC(C)C 1 1.951 2 6 0 -16.2762516693226 650690 CS(=O)(=O)NCC1=NN=C(O1)SCC2=CC=CC=C2C(F)(F)F 1 1.924 3 3 0 -15.4001952668506 650689 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C 1 1.768 3 4 0 -16.5801017419919 650688 COC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=CN=CC=C3)OC 1 2.612 3 3 -8.93915196580817 650687 C1OC2=C(O1)C=C(C=C2)CCNC(=O)CC(CC3=CC=CC=C3)C(=O)O 1 2.842 1 5 -11.2569621555842 650686 CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NN=N2)C(C3=CC=C(C=C3)F)N4CCCCC4 1 3.891 5 2 0 -17.7266796576776 650685 CCOC(=O)CCC1=C(N=C(C(=C1C)C#N)SCC(=O)O)C 1 2.584 2 4 -21.6830457354216 650684 COCC(=O)NC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O 1 -0.523 2 6 0 -21.7889348064725 650683 CC1CCCN(C1C)C(=O)NC2=CC(=CC=C2)NC(=O)N3CCCC(C3C)C 1 3.702 4 2 -6.62535183944151 650681 CC1=CN=C(C(=N1)N2CCC(CC2)C(=O)NCC3=CC=CO3)C 1 0.62 4 2 0 -3.23665535999956 650680 COC(=O)C1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.997 1 5 0 -6.46059868426016 650679 CC1=CC=C(C=C1)C2=NSC3=C2N=CN=C3N4CCC(CC4)C(=O)N 1 2.68 5 1 4.95050718382306 650678 CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)N2CCOCC2 1 0.309 3 4 0 -14.722573223705 650677 C1CCC2=C(C1)C(=O)N3C(=N2)C(=CN3)C4=CC=C(C=C4)Cl 1 2.512 3 1 -1.65288907087676 650676 CCN1C(=NN=N1)SCC(=O)NCC2=CC=CO2 1 0.397 5 2 0 -27.6031678047197 650651 C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=NC=C4 1 2.176 3 3 -1.46033248196186 650650 CCCN1C(=NN=C1SCC(=O)NC2=NC=CS2)C3=CN=CC=C3 1 1.763 6 1 0 -15.3687905618609 650649 C1=CC=C(C=C1)C(CNC2=NC3=CC=CC=C3S2)O 1 2.864 2 1 2.96783558392205 650648 CCCNC(=O)C1=NN2C=C(C=NC2=N1)Br 1 1.171 5 1 0 -10.1656117943531 650647 C1COCCN1C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3 1 2.193 3 2 -10.0907923796138 650646 CCCCOC(=O)CC1=C(NC(=NC1=O)SCC=C)C 1 2.763 2 3 -18.8266739132372 650645 COC1=CC=C(C=C1)NC(=O)CS(=O)CC(=O)NC2=C(C=CC(=C2)Cl)OC 1 1.587 2 5 0 -2.46595881031668 650643 CC1=CC(=O)OC1CC2=CC=NC=C2 1 1.617 1 2 0 -1.02258166999702 650642 CC(=C(C#N)C1=NC2=CC=CC=C2S1)C 1 3.56 2 0 -3.32626137302761 650641 C1CCC(C1)NC(=O)C(C2=CN=CC=C2)N(CCC3=CC=CC=C3)C(=O)CNC(=O)C4=CC=CO4 1 2.633 4 4 0 -18.8597497566016 650640 COCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C 1 0.838 2 4 0 -9.67607133615453 650639 CCN1C2=C(N=C1SCC(=O)C3=C(C=CC(=C3)OC)OC)N(C(=O)N(C2=O)C)C 1 2.555 4 5 0 -19.1261836284833 650638 COC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)OC 1 2.453 1 4 -12.0652833688454 650637 CC(C)CC(=O)NC1=CC=CC=C1C2=NN(N=N2)CC(=O)N3CCOCC3 1 0.953 6 3 0 -15.525629216925 650636 CC1=NN=C(N1CCC2=CC=CC=C2)SCC(=O)NC(C)(C)C 1 2.639 4 1 -23.402044627822 650635 CCN1C(=NN=C1SCC(=O)O)C2CCCCC2 1 2.7 3 2 -12.9911364594698 650634 CC(C)CC1=C(N=C(NC1=O)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)O 1 3.436 3 5 0 -22.3645611107907 650633 CC1=C(SC(=C1C#N)NC(=O)C2CC2)C(=O)N3CCCCC3 1 2.482 3 2 -17.0923241197318 650632 C1=CC(=CC=C1C2=CC=C(N2CC(=O)O)CCC(=O)O)F 1 2.617 1 4 -6.54749731939472 650630 COCCCNC(=O)C1CCCN(C1)C(=O)NC2=CC=C(C=C2)OC 1 0.882 3 4 0 -15.3665522288525 650629 CC1=C(C(=O)N2C(=N1)N=CN2)NS(=O)(=O)C 1 -2.302 5 3 0 -9.1012091684978 650628 COCCN1C(=NN=N1)SCC(=O)N2CCCCC2 1 0.275 5 2 0 -26.4551685166282 650627 CCN1C(=NN=C1SCC(=O)N)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4 1 3.151 6 1 0 -13.2400906012184 650626 COC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC4=C(C=C3)OCO4 1 2.188 5 4 0 -24.3903455860224 650625 C1=CC2=C(C=C1F)C(=CC(=N2)C3=CC=NC=C3)C(=O)O 1 2.647 2 2 1.44481829281658 650623 COC1=C(C=C(C=C1)CCNC(=O)C2=CNC3=CC=CC=C3C2=O)OC 1 2.253 2 4 -14.2386240415169 650622 COC(=O)C1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)N3CCOCC3 1 1.071 2 5 0 -10.9089717049044 650621 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=CN=CC=C2 1 2.406 2 1 -6.89637029891616 650620 C1COCCN1C(=O)C2C(C(C2C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4 1 2.234 1 4 -7.14889600490024 650619 CCCNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C 1 2.805 5 2 0 -10.1018222519837 650618 CC1=NC=C(N=C1)C2=NN=C(S2)N(C)C(=O)C3=CC=NC=C3 1 0.478 6 1 0 -7.32471396019222 650615 C1CCNC(=O)C(C1)NC2CC(=O)N(C2=O)C3=CC=CC=C3 1 0.592 3 3 0 -14.5133158475508 650614 CC1=CC(=CC=C1)NC(=O)CC2C(=O)NC3CCCCC3N2 1 1.599 3 2 0 -7.89748182044597 650613 COCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)OC 1 0.234 2 4 0 -12.7641503522777 650612 CCCCCC(=O)NC1=CC=CC=C1N2CCN(CC2)C3=CC=CC=C3 1 4.777 3 1 -6.30376745255427 650611 C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 1 3.28 1 3 -2.9323898670344 650609 CCNC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)OC 1 0.672 5 3 0 -12.8604526903673 650608 COC1=C(C=CC(=C1)C2C3=C(C(=O)N2C4=CC=CC=C4)NN=C3C5=CC=CC=C5)O 1 4.61 3 3 -4.8057058554963 650607 C1=CC=C(C=C1)CCN2C(=NN=N2)C(C3=CC=CC=N3)N(CC4=CC=CO4)CC5=CC=CS5 1 4.397 6 1 0 -15.8309154421981 650605 CCC(C)(C)N1C(=NN=N1)C(C2=CC3=CC4=C(C=C3NC2=O)OCO4)N5CCN(CC5)CC 1 2.038 7 3 0 -14.6309878856531 650604 CC1=CSC(=N1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2 1 2.365 4 2 -18.1094590931928 650602 CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCOC)C(=O)N3CCOCC3 1 0.636 3 5 0 -15.7227725192719 650600 CCOC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C4CCCCC4)N5CCN(CC5)C 1 2.656 7 2 0 -22.051221301522 650599 CC1=C(SC2=NC(=NC(=C12)N)SCC(=C)C)C 1 3.662 3 0 -7.14829129497759 650598 CC(C)C(C1=NN=NN1CC2=CC=CC=C2)N3CCC4=CC=CC=C4C3 1 3.976 5 0 -17.1464949300161 650597 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3)CNC4=CC=C(C=C4)F 1 4.063 5 1 -15.7489932992703 650596 CCN(CC)C1=C(C=CC=N1)C(=O)NCC2=CC=CS2 1 2.609 3 1 -13.4597682108776 650595 CC1=CC(=C(C=C1)NC(=O)CS(=O)CC(=O)NCC2C3=CC=CC=C3CCO2)C 1 1.908 2 4 0 -14.8844008236795 650594 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(O3)C4=CC=CC=C4C#N 1 2.863 5 2 0 -3.68648160779752 650592 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NN=C(S3)CC 1 3.025 4 3 0 -9.08876530859598 650589 CC(C)C(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)OC 1 2.243 2 4 -16.9950839343902 650588 CC1=CC2=C(C=C1C)N=C(N2)SC(C)C(=O)O 1 3.367 2 2 -3.82683637851149 650585 CCCOC1=C(C(=C(C(=N1)N)C#N)C2=CC=CC=C2F)C#N 1 3.348 4 1 -3.3481725303291 650584 CC1=CC(=CC=C1)N(CC(=O)N)C2C(=O)N(C(=O)S2)C3=CC=CC=C3 1 3.397 3 3 -4.10026733600169 650583 CC1=CC(=C(C(=C1)C)NC2=NCC(=O)N2C3CCCCC3)C 1 4.199 3 1 -4.17870743711103 650580 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2Cl)C3=NC(=NO3)C4=CN=CC=C4 1 2.383 4 3 0 -6.16113564774983 650579 C1=CC(=CC=C1C2=CSC3=NC(=NC(=N)N3N2)N)F 1 1.804 6 0 0 5.20046730706227e-002 650578 CN1C(=NN=C1SCC(=O)N2CCOCC2)CC3=CC=CC=C3 1 1.396 4 2 0 -17.3170673040708 650577 CN1CC(=O)N(C2=CC=CC=C2C1=O)CC(=O)NCC3=CC=C(C=C3)F 1 1.105 3 3 0 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C1CN(CCC1(C2=CN=CC=C2)O)C(=O)C3=C(C=CC=C3F)F 1 1.376 2 2 0 -4.23832497974989 650333 CC(=O)C1=CC(=CC=C1)NC(=O)N2CCCC2C(=O)NC3CCCCC3 1 2.406 3 3 -13.2626067349428 650332 CCC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=NN2C 1 0.647 6 2 0 -20.3528413523544 650331 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=CO3 1 2.772 4 3 0 -11.111319927687 650330 C1CCC(CC1)(C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)NC(=O)NC4=CC=CC=C4 1 2.416 4 4 0 -7.48371106493865 650329 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 2.366 2 5 0 -2.71860404093861 650328 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5 1 2.408 6 2 0 -5.80877949204605 650325 CC1=CC2=C(C=C1)N3C(=NN=N3)C(=C2)CN(CC4=CC=CO4)S(=O)(=O)C5=CC=CC=C5 1 2.91 5 3 0 -13.304409330966 650324 CC1=CC=CC=C1NC(=O)CN2C(=NC3=C(C2=O)C=C(C=C3)NC(=O)C4CC4)C 1 2.036 4 3 0 -14.2119709069942 650321 C1=CC=C(C=C1)C2=NC3=NON=C3C4=NC5=CC=CC=C5N24 1 3.093 5 1 -4.67579405814589 650320 CCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)C 1 1.774 4 2 0 -13.2279030656432 650318 CC(C)C(C1=NN=NN1CC2=CC=C(C=C2)F)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 3.832 6 2 0 -12.142252735318 650315 CC1=C(C(=CC=C1)NC(=O)C2CCCN(C2)C(=O)NC3CCCCC3)C 1 3.798 3 2 -6.07791757273665 650314 CC1=CC=CC(=C1)C2=CC=C(O2)C=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 4.21 3 2 -1.96903766396779 650313 C1CCC(CC1)NC(=O)NCC2=CN=CC=C2 1 1.66 3 1 0 -11.249650303891 650312 CC1=CC(=NC(=N1)C2=CC=CC=C2)N3CCC(CC3)C(=O)NC4CCCCC4 1 3.573 4 1 0.632483044068853 650310 CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN=CC=C2 1 -0.899 3 3 0 -19.4766443520767 650309 CCC1=CC2=C(N=CN=C2S1)NCC(=O)O 1 1.753 3 2 0 -4.09313346037136 650306 CC1=CC=C(C=C1)C(=O)CSC2=CC=CC=N2 1 3.502 1 1 -4.54726161990283 650290 CC1CCN(CC1)C(C2=CC=C(C=C2)N(C)C)C3=NN=NN3C(C)(C)C 1 3.388 6 0 -15.8892160253604 650289 C1CCC2(C1)OCC3(CO2)C(=O)NC(=O)S3 1 0.734 1 4 0 -6.90130886268891 650288 CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)N4N=C(N=N4)C5=CC=CS5 1 4.65 5 1 -2.66234423917171 650287 CC(C)(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)NC3CCCCC3 1 3.544 4 2 -22.5159639165077 650285 CCCN1C2=C(N=C1SC3C(=O)CC(CC3=O)(C)C)N(C(=O)N(C2=O)C)C 1 2.332 4 4 0 -15.3002497963165 650283 CCOC(=O)C1=CC2=C(N1CC(=O)N3C(CC4=CC=CC=C43)C)C=CS2 1 4.072 2 3 -10.6658963726567 650279 CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3CC3 1 2.757 3 1 -8.66680688986686 650278 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=N4 1 1.995 5 1 0 -11.0364825431167 650277 CC1(C(=O)N(C(=O)N1)CC(CN2CCCCC2)O)C 1 0.386 3 3 0 -8.30974040150364 650276 CC(C)NC1=C(C(=O)OC2=CC=CC=C21)N 1 0.664 2 2 0 -4.91107016059811 650275 CCC1=CC=CC(=C1NC(=O)C2=C(CCCC2)C(=O)O)C 1 4.056 1 3 -7.04430361996757 650273 CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NN=N2)CN3CCOCC3 1 0.738 5 3 0 -20.8593035918629 650272 CCOC1=NC(=NC(=N1)NCC2=CC=CO2)NC3=CC=C(C=C3)OC 1 2.839 5 3 0 -2.0767327016351 650271 C1CC1C(=O)NC2CC3CCC(C2)N3CC(=O)N 1 -0.386 3 2 0 -9.70184743471503 650270 CCCN1C(=NN=N1)SCC(=O)C2=CC=C(C=C2)NC(=O)C 1 1.472 5 2 0 -20.9547281559351 650269 C1=CC(=CN=C1)NC(=O)CC2=CC=CS2 1 1.452 2 1 0 -8.08337017790609 650268 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1 1.121 3 6 0 -25.2577062340253 649872 C1OC2=C(O1)C=C(C=C2)CN3C4=CC=CC=C4C(C3=O)(CC(=O)C5=CC=CC=C5)O 1 3.191 1 5 -8.76025708159284 649871 COCCN1C(=NN=C1SCC#N)C2=CC=CC=C2 1 2.008 4 1 -13.9006996763017 649869 CN1C2=C(C=C1C(=O)NC3=CC=CC=C3C(=O)OC)SC=C2 1 3.214 2 3 -9.15031058484182 649867 CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=O)NC3=CC=C(C=C3)Cl 1 2.792 3 3 -3.90942678783997 649866 COC(=O)CN1C2=CC=CC=C2N=CC1=O 1 0.668 2 3 0 -6.2524222563582 649864 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC(=CC(=O)N3)O 1 2.267 3 3 -18.3682997126723 649863 CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CO5 1 3.899 2 5 0 -10.8812826715078 649862 CC(C(=O)NCC1CCCO1)N(C2=CC(=CC=C2)F)C(=O)C3=C(C(=NS3)C(=O)N)N 1 0.916 5 4 0 -13.3111429510033 649861 CC1=C(C=CC(=C1)Cl)OCC(=O)NCCCN2CCOCC2 1 1.912 2 3 0 -7.06860589203063 649860 CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2 1 2.526 2 4 -12.3996306392208 649859 C1CNCCC1N2C(=CC=N2)N 1 -0.568 4 0 0 -16.6584034620014 649858 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CN1CCN(CC1)CC#CC2(CCCCC2)O 1 2.042 2 1 2.7929349726237 649842 C1OC2=C(O1)C=C(C=C2)CNC(=O)C(C3=CC=C(C=C3)Cl)OC(=O)C4=CC=CO4 1 3.875 1 6 0 -10.7366133625011 649841 CC1=C(C=C(C=C1)C(=O)NC2=NN=CS2)S(=O)(=O)N3CCOCC3 1 0.379 4 4 0 -23.886723753899 649840 CC1=CC(=C(C=C1)C)C2=NC3=C(O2)C=CC(=C3)N 1 3.506 2 1 13.7717649212857 649839 C1COCCN1CCNC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 2.417 2 2 -7.85748380204834 649838 C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.251 3 5 0 -19.4668306412579 649837 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(C3=CC=C(C=C3)C#N)C4=NN=NN4C5CCCC5 1 5.187 7 0 0 -17.0516319486777 649836 CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)Cl 1 3.765 4 2 -15.2566352419359 649835 C1CCC(=C2C(=O)N=C(S2)N3CCN(CC3)CCC#N)CC1 1 2.756 4 1 -6.76716187612969 649834 CCC1=CC(=C(S1)N)C(=O)C2=CC=CC=C2OC 1 3.07 1 2 -3.47190415621871 649833 CC1=CC(=NC=C1NC(=O)CC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 2.704 3 3 -7.90758077059922 649832 CC(C)N1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NCC4=CC=CC=C4 1 3.157 5 1 -7.03770401164624 649831 CC1=C([N+](=O)C2=C(N1[O-])CCCCC2)C 1 0.832 2 2 0 -5.91840407925688 649816 CC(C)(C)C(=O)CN1C=[N+](C=N1)N.[Cl-] Cl- 1 0.99 4 1 0 -6.06097718029427 649805 COCCN1C(=NN=N1)C(C2=CC3=C(C=C(C=C3)OC)NC2=O)N4CCN(CC4)C5CCCCC5 1 2.177 7 3 0 -17.5759297341369 649804 CN1C(=CN=C1SCC(=O)N2CCCCC2)C3=CC=C(C=C3)F 1 3.204 3 1 -6.85863599693221 649803 CC1=C(C=C(O1)C(C)(C)C)C(=O)NC2=CC3=C(C=C2)OCCO3 1 3.341 1 4 -8.65106784146812 649801 COC1=CC=C(C=C1)N2C(=NN=N2)C3=CN=CC=C3 1 1.474 5 1 0 -6.02027644707612 649800 CCN1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)N(C)C)(C)C(=O)OCC 1 1.283 3 4 0 -3.77591518743823 649798 CCN(CC)C(=O)N1CCC(CC1)NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 2.708 3 2 -10.0562918081818 649797 C1OC2=C(O1)C=C(C=C2)CN(CC3=NC(=O)C4=CC=CC=C4N3)C(=O)C5=CC=CC=C5 1 3.11 3 4 0 -12.3213787341263 649795 CCCC1=NN=C(S1)NC(=O)CN2C3=CC=CC=C3SC2=O 1 2.598 4 2 -10.3453928243277 649794 CCN1C(=NN=C1SCC(=O)NC2=NOC(=C2)C)C3=CN=CC=C3 1 1.381 6 2 0 -21.8778685518656 649793 CC(C)CCOC1=CC=CC(=C1)OCC(=O)N(C)C2CCS(=O)(=O)C2 1 2.151 1 5 -18.3629446510662 649791 CCCN1C(=NN=N1)SCC(=O)NCC2=CC=CC=C2 1 1.739 5 1 0 -26.7470621086033 649790 CC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NCCC3=CC=CC=C3 1 3.199 3 2 -12.4349578089323 649789 CCOC1=CC=CC=C1C2C(=CN(C=C2C(=O)OC)C)C(=O)OC 1 1.712 1 5 0 -13.1596571735197 649787 C1CCC(CC1)C(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(C=C4)F 1 3.833 3 2 3.19271427599917 649786 CCCCN1C2=C(N=C1SCC(=O)N3CCCC3)N(C(=O)N(C2=O)C)C 1 2.039 5 3 0 -25.9200336130009 649785 CC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CCOC)N4CCCCCC4 1 2.237 6 2 0 -20.9024096954525 649784 CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C=C2Br)OCO3)C#N)N)C 1 2.48 2 5 0 -13.8057487665689 649783 C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=NC=C3 1 1.298 3 1 0 -1.71962641393129 649781 CC1CCN(CC1)C(=O)CN2C3=C(CCCC3)C(=N2)C(F)(F)F 1 3.668 3 1 -11.0774656467387 649780 CC1=CN=C(S1)NC(=O)C2=C(N3CCCC4=CC=CC(=C43)C2=O)O 1 2.424 3 3 -4.38925558788513 649779 CC1CCC(CC1)NC(=O)C2CCCN(C2)C3=NC(=CC(=N3)OC)C 1 2.845 4 2 -11.2331955717697 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0.828055462980438 648766 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC4=CC=CC=C4C3 1 2.656 2 3 -16.9427800268483 648765 CC1CCCC(N1C(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CS3)C 1 3.063 4 2 -22.717806863283 648764 CC1=NC2=NC=NN2C(=C1)N3CCCC(C3)C(=O)NC4=C(C=CC(=C4)Cl)OC 1 3.264 6 2 0 -6.86101507390811 648763 CN1C(=NN=C1SCC2=CC=CC=C2)CNC3=CC=C(C=C3)Cl 1 4.316 4 0 -8.93512467971613 648746 COC1=CC(=C(C=C1)NC(=O)N2CCC(CC2)(C3=CN=CC=C3)O)OC 1 0.841 3 4 0 -7.09793221509894 648745 COC(=O)C1=CN(N=C1C(=O)OC)C2=CC=CC=C2 1 2.195 2 4 -0.826466313978105 648744 CN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2)CN3C=NC4=CC=CC=C43 1 2.528 6 2 0 -15.9295915635324 648740 CCCCC(=O)N1CCCC(C1)C2=NC(=O)C3=NNN(C3=N2)CC4=C(C=CC(=C4)C)C 1 3.245 6 2 0 -8.47266753922883 648739 C1CCC(CC1)(C(=O)N2CCOCC2)NC(=O)NCC3=CC=CC=C3 1 1.834 3 3 0 -12.0567007205452 648738 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3 1 2.196 2 2 -16.1441141694255 648737 COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCCN3CCOCC3)CC4=NN=NN4C5CCCC5 1 1.647 7 3 0 -22.4743434742817 648735 CCC1=C(N=C(N2C1=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4)N)C 1 2.954 7 1 0 -12.4278251765829 648734 CN(C1=NN=C(S1)C2=CC(=CC=C2)OC)C(=O)C3=CC=NO3 1 1.948 4 3 0 -2.41685334159876 648732 CCC1=C(N2C(=NC=N2)N=C1C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)C 1 3.163 6 2 0 -9.97304497097322 648731 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.846 3 4 0 -14.5748609379902 648729 C1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2C4=CC=CO4 1 3.054 3 2 -4.70875529105276 648728 CCN1C2=C(N=C1SCC3=NN=C(O3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C 1 2.408 6 3 0 -17.1596634006363 648727 C1C(CSC1=O)C(=O)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4F 1 2.132 2 5 0 -16.3365548048596 648725 C1COCCN1C2C(=NC3=CC=CC=C3NC2=O)C4=CC=CC=C4 1 2.256 3 2 -10.4221643126687 648723 CCN(CCO)CC1=C(NN=C1)C2=CC(=C(C=C2)C)C 1 2.939 3 1 5.26028785910904 648722 CC(C(C(=O)NCC1CCCO1)NC(=O)OC(C)(C)C)OCC2=CC=CC=C2 1 2.332 2 5 0 -21.5261019366242 648721 CC(C)(C)N1C(=NN=N1)CN2C3CCC2CC(C3)NC(=O)NC4=CC=CC=C4 1 1.593 7 1 0 -14.8613412987319 648719 CC(=O)NC1C(=O)NC(=NC1=O)SCC(=O)NC2=CC=CC=C2OC 1 0.118 4 5 0 -24.1925703199084 648717 CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)Cl 1 3.578 3 2 -4.60067488500278 648716 CN1C(=CN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CC=C4 1 3.331 4 1 -5.26818964504913 648715 CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C 1 1.831 2 5 0 -13.006897424964 648713 CC1(C(=O)N(C2=CC=CC=C2N1)CC=C)C 1 2.063 2 1 -10.785409145477 648710 CC1=NN=C(S1)NC(=O)NC2=CC(=CC=C2)Cl 1 1.921 4 1 0 -6.57280688061769 648709 CC(C)CCNC(=O)CN(CCCN1CCOCC1)C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)F 1 1.505 7 3 0 -16.970058542877 648707 CC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)OC)C 1 4.424 2 3 -5.56987561046095 648706 C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)O)C4=CC=NC=C4 1 3.51 5 2 0 -11.2233659157494 648703 CN1C2=CC=CC=C2C3(C1=O)C(=C(OC(=C3C(=O)OC)CC(=O)OC)N)C#N 1 0.102 3 6 0 -10.380486673684 648701 CC(C)NC(=O)CN(C1=CC(=CC=C1)Br)S(=O)(=O)C 1 1.481 2 3 0 -16.9323997562414 648699 CCCN1C2=C(N=C1SCC(=O)N3CCCC4=CC=CC=C43)N(C(=O)N(C2=O)C)C 1 3.229 5 3 0 -24.5905822599535 648698 CCC(=O)NC1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=CC=C3)CC(=O)N4CCCCC4 1 3.311 5 2 0 -8.45963683344024 648697 CC(=O)N1CCC2=C(C1)C3=CC=CC=C3N2 1 1.536 2 1 0 -4.07735207000055 648696 CC1=CC(=C(C=C1)NCC2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC=CC=C4)C 1 5.062 4 2 -12.7578329997631 648695 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C 1 1.847 3 3 0 -12.8625789930258 648694 CCCCN(C1=CC=CC=C1)C2=CC(=O)N(C(=O)N2)C 1 2.943 3 2 -5.57440574030397 648693 CCCC(C1=NN=NN1CS(=O)(=O)C2=CC=C(C=C2)C)N3CCN(CC3)C4=CC=CC=C4 1 4.143 6 2 0 -19.4848723442149 648692 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)C3CCCC3 1 1.313 3 5 0 -21.8976491283075 648691 CCOC(=O)C1=CC2=C(N1CC(=O)NC3CCCCC3C)C=CO2 1 3.457 2 4 -14.7952262907347 648690 CC(C)(C)C1=NN(C(=C1)C(=O)NCC2=CC=C(C=C2)N3CCCC3=O)C 1 2.973 4 2 -19.1086669144495 648689 CCC1=C(N2C(=NC=N2)N=C1C)N3CCCC(C3)C(=O)NCCC4=CC=C(C=C4)OC 1 3.87 6 2 0 -17.0079980936182 648686 C1CCC2=NC3=CC(=NN3C(=C2C1)N4CCOCC4)C5=CC=C(C=C5)F 1 4.164 4 1 -2.17877377170448 648685 C1CC2=CC=CC3=C(C=CC1=C23)NC(=O)C4=CC=CO4 1 3.519 1 2 -3.11244390071544 648683 C1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N 1 2.041 4 1 -6.32835151256628 648682 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(O3)C#CC4=CC=CC=C4 1 4.057 3 2 -2.11384011674699 648679 CC(=O)NC1CC2CCCC(C1)N2CC(=O)N3CCCC4=CC=CC=C43 1 1.832 3 2 0 -13.0778183061671 648678 CN(C)C1=NC(=NC(=N1)SCCOC(=O)NC2=CC=CC=C2)N(C)C 1 2.547 6 2 0 -8.43383340580417 648676 CCOC(=O)C1=CC2=C(N1CC(=O)N3CCCC3)C=CS2 1 2.505 2 3 -10.050077712625 648675 CC1=C2C=C(C(=NC2=C(C=C1)C)N3CCCC3)C#N 1 3.409 3 0 -0.676946706864066 648674 CCCN1C2CCCC1CC(C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.946 2 4 -9.83441660911447 648673 CC1(CC(=O)C(=CNN2C=NC3=CC=CC=C3C2=O)C(=O)C1)C 1 0.849 3 3 0 -9.51222304614715 648672 C1=CC(=CC=C1C2=C(C(=NN2)N)Cl)Br 1 3.289 3 0 2.17269491375782 648671 CCC(=O)C1=CC2=C(C=C1NC(=O)C(C)C)OCCO2 1 2.272 1 4 -15.1113871442635 648670 C1CC2=C(N3C(=NC=N3)N=C2C1)NC4=CC=C(C=C4)Br 1 4.142 5 0 -6.52223983423912 648669 CC1=CC=C(C=C1)N(CC(=O)NCCOC)S(=O)(=O)C2=CC=CC=C2 1 1.938 2 4 0 -20.4259452103681 648668 COC(=O)CC1=NN=C(S1)N 1 -0.146 3 2 0 -6.62772497970071 648667 CC(=O)NC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC=C(C=C3)OC)C4CC4 1 2.48 3 3 -7.29330053935884 648666 CC(C1=CC=CC=C1)N2C=C(N=N2)C(=O)NCC3=CC=CC=N3 1 2.258 5 1 -19.3179654802369 648665 CN1C=NN=C1SC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)N(C(=O)N3C)C 1 2.919 7 2 0 -23.0240700166772 648663 COC1=CC=CC=C1NC2=NCC(=O)N2CC3=CC=CC=C3 1 2.449 3 2 -1.78779333269741 648662 CC1=CC2=C(C(=NN2C3=CC=CC=C3)C)C(=O)O1 1 2.688 2 2 -3.63636030327796 648661 C1=CC=C2C(=C1)N=NN2C3C(C(C(C(O3)CO)O)O)O 1 -0.515 3 5 0 -13.8194273987396 648660 CC(C1=CC=C(C=C1)OC)N2CC34C=CC(O3)C(C4C2=O)C(=O)OC 1 1.123 1 5 0 0.272420302340189 648658 CCC1=NN=C(S1)NC(=O)CSC2=NN=C3N2C=CC=N3 1 1.341 7 1 0 -22.2864320872342 648657 CCOC1=CC=CC=C1NC(=O)NC2(CCCCC2)C(=O)N3CCOCC3 1 2.16 3 4 0 -13.6091297554717 648656 CC1=CC=C(C=C1)C2=CSC(=N2)N(CC3CCCO3)C(=O)C4=CC=CO4 1 4.004 2 3 -5.03057649810215 648655 C1CCC(CC1)(C(=O)NCC2=CC=CO2)NC(=O)NC3=CC=CC=C3 1 2.699 3 3 -11.585488294382 648651 CCC1=C(N2C(=CC(=N2)C3=CC(=C(C=C3)OC)OC)N=C1C)N4CCCC4 1 4.404 4 2 -5.27975734677611 648649 C1=CC=C(C=C1)C2=NN(N=N2)CC(=NO)N 1 0.426 6 1 0 3.56148070123896 648648 CC1(CC(=CC(=O)C1)N2CCN(CC2)C3=CC(=O)CC(C3)(C)C)C 1 2.407 2 2 -7.5224888326498 648645 CCOC1=CC=CC=C1C2=NC(=NO2)C3=C(N=C(C=C3)C)OC 1 3.132 3 3 -2.7155593207454 648644 C1=CC(=CN=C1)C2=NN=C(O2)C3=CC=CO3 1 1.298 3 2 0 1.35601415848728 648643 C1=CC=C(C=C1)CNC(=O)CSCC(=O)O 1 0.92 1 3 0 -14.9902150633736 648642 CC1=CC(=NN1C2=NC3=C(N2CC(C)C)C(=O)NC(=O)N3C)C 1 2.082 6 2 0 -11.5598561604934 648641 CC1=NC=C(N=C1)C2=NN=C(S2)N(C)C(=O)C3=CC=CC=N3 1 0.907 6 1 0 -8.03822546201625 648640 CC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)COC3=CC=CC(=C3)C 1 4.276 2 3 -11.3873864213177 648639 CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=NN3CC4=CC=CC=C4 1 3.101 5 1 -25.3084846594806 648638 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CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C(=CS3)C4=CC=CC=C4 1 3.742 4 2 -9.75942507432721 647740 CC1=C(C(=O)N(C(=C1CN2CCOCC2)O)CC=C)C#N 1 0.945 3 3 0 -8.82773458201265 647739 CCC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C(C)C 1 1.373 6 2 0 -20.1540639702461 647738 COC1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)CC(=O)NC4=CC5=C(C=C4)OCO5 1 2.661 4 4 0 -0.88613965345644 647736 CC1=CC=C(O1)C2=NN=C(O2)C3=CC=C(C=C3)Br 1 3.343 2 2 4.82426845357031 647735 CC1CN(CC(O1)C)CCC(=O)NC2=CC(=CC(=C2)C)C 1 2.619 2 2 -9.42878048813362 647734 CC1(C(=O)N(C(=O)N1)CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O)C 1 2.481 2 4 -5.38069169795046 647733 CCC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC3=C(N2C)C=CS3 1 3.262 2 4 -10.5066345218414 647731 CCCC(C1=NN=NN1CC2=CC=CS2)N3CCN(CC3)C4=NC5=CC=CC=C5S4 1 3.829 7 0 0 -15.1994707409109 647729 C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC#N 1 4.177 4 0 -9.15681684791056 647728 CC1(C(=O)N(C(=O)N1)CC(CN2CCOCC2)O)C 1 -0.843 3 4 0 -10.7083466124157 647727 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCOCC4 1 1.954 3 4 0 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COC(=O)C1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32 1 2.353 2 3 -10.7156235130131 647706 C1CCC(CC1)C2=NN=C(O2)C3=CN=CC=C3 1 2.365 3 1 -1.02898257617727 647705 CC(=O)NC1=CC=CC(=C1)C2=CSC(=N2)NCC3=CC=CO3 1 1.996 3 2 0 2.6376155519288 647703 C1=CC=C(C=C1)C2=NN=C(O2)CSC3=NN=C(O3)COC4=C(C=C(C=C4)Cl)Cl 1 4.452 4 3 0 -8.85406238941028 647702 CC1=CC(=C(C(=C1)C)NC(=O)C2=CC(=C(C=C2N3C=NN=N3)OC)OC)C 1 2.927 5 3 0 -18.2052514815556 647701 CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.758 5 2 0 -8.05576265506003 647699 CCN1C(=NN=C1SCC(=O)NC2=NON=C2C)C3=C(OC=C3)C 1 1.268 6 3 0 -16.772747020992 647697 C1=CC(=CN=C1)CSC2=NN=C3N2C(=CS3)C4=CC=C(C=C4)F 1 4.004 4 0 -5.66919852666871 647696 COC1=CC=CC(=C1)C2=NN=C(O2)SCC3=CN=CC=C3 1 2.629 3 2 -5.04483837320603 647695 CC1=CC=CC2=NC(=C(N12)NCC3=CC=CO3)C4=CC(=C(C=C4)OC)OC 1 3.88 3 3 -3.66539379243031 647694 CNC1=NN=C(S1)C2=CC(=CC=C2)N(C)C 1 1.727 4 0 0 -5.91899629149829 647691 CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3 1 2.997 5 1 -17.1877951387667 647689 CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.545 2 3 2.1662816690523 647687 C1CCC(CC1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3 1 2.628 5 1 -15.3851009033881 647686 COC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)N3CCCC4=CC=CC=C43)OC 1 3.553 3 4 0 -15.633084053366 647685 CC1=CSC(=N1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4Cl 1 3.338 6 1 0 -11.9565272601443 647684 CCCC(=O)NC1=C(NC2=CC=CC=C2C1=O)O 1 1.6 2 3 0 -12.1368012126554 647683 CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)CCC3=CC=CC=C3 1 1.871 5 0 0 3.67138770299294 647682 CC1=CC=C(O1)C(C(=O)NCC2=CC=C(C=C2)F)N(C3CC3)C(=O)C4=CSN=N4 1 2.815 4 3 0 -12.134971205141 647681 CS(=O)(=O)N(CC(=O)N1CCCCC1)C2CCCCC2 1 1.411 2 3 0 -11.0823966405291 647680 CCC(C(=O)NCC1=CC=CO1)OC(=O)C2=NSC(=C2Cl)Cl 1 3.082 2 4 -11.8197414742075 647679 C1CCN(CC1)C(=O)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCCC3 1 1.255 3 4 0 -13.8193745823372 647676 CCOC1=CC=CC=C1N(CC(=O)NC(C)(C)C)C(=O)CN2N=C(N=N2)C3=CC=C(O3)C 1 2.211 6 4 0 -15.5896092682357 647674 CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCN(CC4)S(=O)(=O)C5=CC=CC6=NON=C65 1 3.306 6 3 0 -18.4481688439112 647673 CCC(=O)NC1=CC=C(C=C1)C(=O)N2C=CC(=N2)C 1 1.998 3 2 0 -7.70628311972575 647672 COC1=CC=CC(=C1)NC(=O)C(CC2=CC=NC=C2)C#N 1 1.793 3 2 0 -4.30374957444089 647670 CC(C)C(C1=NN=NN1C2CCCCC2)N3CCC4=CC=CC=C4C3 1 4.25 5 0 -21.5370671382829 647669 C1=CC=NC(=C1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.101 3 3 0 -15.4920765690597 647668 CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(C)C)N(C(=O)N(C3=O)C)C 1 4.245 4 2 -18.3525653454684 647666 CCC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=CC(=C3)C)NC2=O)N4CCCC4 1 2.91 6 1 0 -14.3587447154912 647665 C1CCC(C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 3.59 2 3 -11.9793255189487 647663 CN1C2=C(C=N1)C(=NC=N2)NC3=CC4=CC=CC=C4C=C3 1 2.46 5 0 6.20755160980183 647662 C1CC1C2=NC3=CC=C4C(=NSN4)C3=N2 1 1.011 4 0 0 -2.97779736711568 647661 COC1=CC=CC(=C1)N(CC(=O)OC)S(=O)(=O)C 1 0.637 1 5 0 -11.73132744538 647660 CC1(CC(=NC2=CC=C(C=C2)C(=O)O)CC(=O)C1)C 1 2.237 1 3 -4.01303188340711 647659 COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)COC3=CC=CC=C3F)C#N)OC 1 3.805 3 4 0 -9.00097845071996 647658 CC1=CC=CC=C1C2=NCC(=O)N(C3=C2C4=C(S3)CCCC4)CC(=O)NCC5=CC=CO5 1 3.988 3 3 -15.6758596652235 647657 CC1=CC=CC(=N1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C 1 1.917 2 3 0 -33.6412769649809 647655 C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCCC3)C(=O)N 1 1.589 3 2 0 -11.9244325467505 647653 CN1C2=C(C=CC=N2)N=C1SCC(=O)N3CCOCC3 1 0.636 4 2 0 -13.401110832571 647651 CCN1C(=NN=C1SCC(=O)N2CCCC3=CC=CC=C32)C4=CC=CO4 1 3.525 4 2 -13.4840660672204 647650 C1=C(C(=C(S1)Br)Br)C(=O)O 1 2.438 0 2 -1.20979272615384 647649 CC(=O)NC1=CC2=C(C=C1NC(=O)CN3C(=O)C=CC(=N3)C4=CC=CC=C4F)OCCO2 1 1.401 4 5 0 -12.0692344867605 647637 C1=CC=C(C=C1)CCNC(=O)C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4Cl 1 2.595 6 2 0 -8.40831634195206 647634 CCOC(=O)C1=CC2=CC=CC=C2N=C1C 1 2.503 1 2 -2.97492057969395 647633 CN1C(=CN=C1SCC(=O)N)C2=CC=CC=C2 1 1.67 3 1 0 -5.15709510621988 647632 CC1=NC2=CC(=C(C=C2C(=O)N1CC3=CC=CC=C3)NC(=O)C)N4CCOCC4 1 1.588 4 3 0 -8.89575953679017 647631 CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCN3CCCC3)C(=O)NC4=CC=C(C=C4)F)C 1 3.896 4 2 -5.6238167619016 647630 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)Cl 1 1.978 3 2 0 -5.3915448296833 647629 CN1C(=NN=C1SC)C2=CC=C(C=C2)OC 1 2.392 3 1 -1.07185801111134 647627 CCCCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C=CC3=C2N=C(C=C3C)C 1 3.564 3 3 -7.22560167585486 647626 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCC(=O)O 1 2.196 2 3 -8.35609220533575 647625 COC1=CC=CC=C1OCCCN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 4.807 1 4 -10.0204289879785 647624 CC#CCN(CC#CC)S(=O)(=O)C1=CC(=C(C=C1)N2C=NN=N2)OC 1 2.1 5 3 0 -28.2299550696136 647623 CC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CC(=CC=C3)NC(=O)C 1 1.511 4 2 0 2.72893948030544 647622 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=CC=C3 1 3.228 3 2 -22.5351337054504 647621 COC1=CC=C(C=C1)N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)C4=CC=CO4 1 3.165 2 4 -10.5133814224574 647620 C1CC1C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3 1 1.972 3 1 0 -2.84573815031847 647619 CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=NN=NN3C4CCCC4)C5CCCCC5)C 1 4.606 6 1 0 -20.2305166447601 647618 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=NC=C3 1 2.935 3 3 -4.65686259144751 647617 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NN=C(N4CC5=CC=CO5)C6=CN=CC=C6 1 4.73 5 2 0 -8.56739941456654 647616 CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(O2)C3=CC(=CC(=C3)OC)OC 1 3.96 3 4 0 -12.8964131447099 647615 C1CN(CCC1NC(=O)CCC(=O)NCC2=CC=CO2)CC3=CC=CC=C3 1 1.256 3 3 0 -14.0414490158979 647613 CCC1=CC2=C(N=CN=C2S1)NCCC(=O)O 1 2.002 3 2 -5.64404047238575 647612 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=NC=CN=C4C=C3 1 3.158 4 1 -4.38334927174701 647611 CCC(C)(C)N1C(=NN=N1)CN(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C4CCCC4 1 3.214 6 2 0 -13.5300269482264 647610 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(O3)CC4=CC=CC=C4 1 3.62 3 2 -21.7857465315718 647609 C1CCC(C1)NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N 1 1.963 6 2 0 -10.5083974817011 647608 CCN1C2=CC=CC=C2N=C1NCC3=CC=CC(=C3O)CC=C 1 4.127 3 1 -3.45424911841254 647607 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CC1(CC(=CC(=O)C1)NCCN2CCN(CC2)C(=O)NC3=CC=CC=C3)C 1 1.777 4 2 0 -18.309483578279 647328 CC12C=CC3(O1)C(C2C(=O)NC4=CC=CC=C4)C(=O)N(C3C(=O)NC(C)(C)C)C5=CN=CC=C5 1 0.866 4 4 0 -7.12375616036305 647327 CC1=NC2=C(C(=NN2C(=C1)NCCCN3CCOCC3)C)C4=CC=C(C=C4)F 1 2.628 5 1 -5.12794137981403 647325 CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)CSC4=NC=CC=N4 1 2.81 6 1 0 -22.2825106739923 647324 CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.17 2 4 -9.43265960858662 647323 CC(C)(C)C1=NC2=C(C(=N1)NCC3CCCO3)N=NN2CC4=CC=CC=C4 1 3.38 6 1 0 -12.9290555879696 647322 CCC(=O)OCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C 1 1.185 4 4 0 -12.8314149917971 647321 CN1CCC(CC1)NCCC2=CC(=C(C=C2)OC)OC 1 1.766 2 2 0 0.357309392590741 647320 CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CN3CCN(CC3)C4=CC=C(C=C4)F 1 2.885 4 3 0 -16.2883401880551 647319 CC1=C(C=CC(=C1)CCCC2=NN=C(N2C)SCC(=O)NC3=NC(=CS3)C)OC 1 3.741 5 2 0 -13.1730563049797 647317 CN1C(=NN=C1SC)COC2=CC=CC(=C2)OC 1 2.227 3 2 -4.70775743974688 647316 CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC=C)C#N 1 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COCCNC(=O)CN(C1=C(C=CC(=C1)Cl)OC)S(=O)(=O)C 1 0.523 2 5 0 -18.7640544539565 647018 CC1=C(C=C(C=C1)Cl)N(CC(=O)NC2CCCCC2)S(=O)(=O)C 1 3.015 2 3 -14.4117092812519 647017 C1CN(CCC1C(=O)NC2=C(C(=CC=C2)Cl)Cl)C3=NC=CC=N3 1 2.7 4 1 4.69621499644776 647016 CC1=C(C=CO1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)OC 1 4.182 4 3 0 -15.9344687367381 647015 CN(C1=NN=C(S1)C2CCOC2)C(=O)C3=CC=CC(=C3)C#N 1 1.469 4 2 0 -8.3863760362521 647014 CN1CCN(CC1)C(C2=CC3=C(C=CC(=C3)OC)NC2=O)C4=NN=NN4C5CCCCC5 1 2.307 7 2 0 -20.9521186318496 647012 CCS(=O)(=O)NC1=CC=C(C=C1)C(=O)CC2(C3=CC=CC=C3NC2=O)O 1 0.894 2 5 0 -13.4686731918801 647011 COC1=CC=C(C=C1)OCCSC2=NN=NN2C3CCCCC3 1 3.697 4 2 -20.2602048890015 647009 CC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)OC 1 2.616 2 5 0 -19.6395267659698 647008 CCCS(=O)(=O)N1CCC(CC1)C(=O)C2=CC(=CC=C2)C(F)(F)F 1 3.061 1 3 -13.3450983484804 647007 C1CC(CN(C1)C2=NC=CC=N2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4 1 3.066 4 2 3.54587327384827 647006 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-8.35559537018564 646988 CC1CCN(CC1)CC2=NC3=C(N2CCN4CCOCC4)C(=O)N(C(=O)N3C)C 1 1.162 6 3 0 -16.6574655340144 646986 C1=CC=C(C=C1)CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CN=CC=C4 1 2.535 2 4 -14.469784929506 646985 COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCO)C(=O)C3=CC=C(C=C3)Br 1 2.402 2 4 -7.04551909384405 646984 COC(=O)C1=CC=C(C=C1)CN2C=C(C=N2)Cl 1 2.583 2 2 -6.77241725886054 646983 COC1=CC=C(C=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.592 1 6 0 -14.7236401139991 646982 CC1=C(N2C(=NC=N2)N=C1C)NC3=CC4=C(C=C3)OCCO4 1 2.884 5 2 0 -10.6468804754313 646981 CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCNC(=O)NC3=CC=CC(=C3)C 1 3.354 5 2 0 -5.37459972002475 646980 C1COCCN1C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4 1 3.01 3 1 3.55964845566655 646979 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCCCC2 1 2.494 2 3 -16.9280661188286 646977 CC1=CC=CC=C1C2=NN=C(C=C2)NC3=CC=C(C=C3)N4CCOCC4 1 3.946 4 1 3.06693674362664 646976 C1CCC(C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)CC4=CC=CC=C4 1 3.67 4 2 -19.8117350367696 646975 COC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.238 2 6 0 -21.2210197706506 646974 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC=CC=C3)C(=O)CN4CCOCC4 1 2.127 3 4 0 -16.4563482914136 646972 CC1=CC(=NC(=N1)OCCNC(=O)COC2=C(C=C(C=C2)Cl)C)OC 1 3.203 3 4 0 -11.2391478232859 646969 CCC1=C(NC(=NC1=O)SCC(=O)C2=CC(=C(C=C2)C)C)C 1 4.099 2 2 -11.755342252061 646968 CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NCC4=CC=CO4 1 1.618 5 3 0 -15.0796205011555 646967 CC(=O)N1C2C(N(C1=O)C)N(C(=O)N2C)C(=O)C 1 -1.014 4 4 0 -8.84017376227247 646964 C1CCC(C1)NC(=O)CN(C2CCCC2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F 1 2.84 6 2 0 -9.08173027925633 646962 COC1=CC(=C(C=C1)C(C2=NN=NN2CC3=CC=CS3)N4CCC(CC4)C(=O)N)OC 1 1.891 6 3 0 -16.8788878364865 646961 CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(C3=NN=NN3C4CCCCC4)C(C)C 1 3.351 6 3 0 -21.2042217095217 646960 C1=CC=NC(=C1)CNC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 3.783 4 2 -11.2085182251344 646959 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)S(=O)(=O)N3CCCC3 1 1.472 2 4 0 -16.319726380729 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C1=CC2=CC3=C(NN=C3N=C2C=C1)N 1 1.37 4 0 0 1.40035135010554 667628 CC1=CC=C(O1)/C=C/C(=O)NC2=NNN=N2 1 0.993 5 2 0 -5.49200172218119 667626 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)Cl 1 4.679 1 1 0.355493449289003 667624 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2Cl 1 4.679 1 1 -1.37553117509423 667591 C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC=CS3 1 2.404 2 3 -8.36163664532345 667589 CC(C)C1=CC(=CC(=C1O)C(C)C)CN2CCOCC2 1 3.737 1 2 1.81473348973432 667583 C1=CC(=CC=C1NC2=NC(=CS2)C3=CC=NC=C3)F 1 2.741 3 0 8.94242739460571 667580 C1CCN(CC1)CC(=O)N2C3=CC=CC=C3OC4=CC=CC=C42 1 3.386 2 2 -1.97413862438439 667573 CC1=C(C=CC(=C1)Cl)NC(=S)NC2=CC=CC=N2 1 4.905 3 0 -2.61661313979913 667562 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)OC 1 3.021 1 4 -18.0938352256095 667555 C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.316 4 0 3.94497144757882 667552 C1=CC=C2C(=C1)C(=S)NC3=CC=CC=C3S2 1 4.274 1 0 0.230473655116952 667551 CN1C2=CC=CC=C2N=C1N3CCNCC3 1 1.056 4 0 0 -0.852600982754895 667540 COCC(=O)NC1=NC2=CC=CC=C2S1 1 1.312 2 2 0 -3.25110602905835 667526 C1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC=CC=C3 1 3.713 3 0 -6.66722867412623 667493 CC1=CC(=O)NC(=S)N1 1 0.595 2 1 0 -9.19165752570672 667483 CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC 1 5.031 2 2 -5.31347782218315 667467 CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl 1 5.123 1 0 5.80223348308987 667414 COC1=C(C=C2CN(CCC2=C1)C(=O)CC3CC4CCC3C4)OC 1 3.252 1 3 -9.16540815768899 667412 CCN1C(=CC2=C(C1=O)C(C(=C(O2)N)C#N)C3=CC=NC=C3)C 1 0.29 4 2 0 -11.0498471385353 667411 CC1=CC=C(C=C1)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCN(CC4)C(=O)C5=CC=CO5 1 2.513 6 4 0 -15.4537804423712 667407 CC(=CCSC1=NN=C(O1)[C@H](CCSC)NC(=O)OC(C)(C)C)C 1 3.459 3 3 -22.4336692380385 667406 COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)CCCC(=O)NCC3=CC=CO3 1 2.076 3 6 0 -16.7292683851001 667404 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC(=NS3)SC 1 2.033 5 2 0 -21.3929711815473 667403 CSC1=NC2=C(C3=C(S2)CCCC3)C4=NCCN41 1 3.485 3 0 -15.3100071314002 667402 CCOC(=O)C1=C(NC2=CC=CC=C2N=C1)NC(=O)C3=CC=C(O3)Br 1 2.891 3 4 0 -11.0264613721518 667401 CSC1=NNC(=N1)NC2=CC(=O)CCC2 1 1.137 4 1 0 -6.62126517662012 667400 CC1CCCCN1CC2=CC(=O)OC3=C2C(=C(C(=C3)C)Cl)C 1 4.865 1 2 -1.88346215403254 667397 CCN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C3=CC=CS3)C4=CC=CS4 1 4.767 2 2 -3.30302245688908 667395 C1CC2=NC3=C(N2C1)C=CC(=C3)S(=O)(=O)N4CCOCC4 1 0.872 3 3 0 -16.314676226391 667394 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=O)N3C4=NOC(=C4)C)C#N 1 1.032 5 3 0 -19.7541652799457 667393 CC(C)N1C=NC2=C1C=CC(=C2)NCC3=NC4=CC=CC=C4N3C 1 3.584 5 0 -1.32899184145565 667392 CC1=CC(=NC2=NN3C(=CC(=NC3=C12)C)NCCOC)C 1 1.753 5 1 0 -10.3006873740154 667391 CC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)N4CCOCC4=N3 1 2.473 3 3 -5.95719831723435 667390 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CC3=CC=CS3 1 3.854 4 3 0 -24.6223507888234 667389 CN1C(=O)C2=C(N=C(N2)NCC3CCCO3)N(C1=O)C4=CC=CC=C4 1 1.507 5 3 0 -11.3536978984189 667388 COC1=CC=C(C=C1)C2=NC3=NC(=NN3C(=C2)C(F)(F)F)C(=O)O 1 3.273 4 3 0 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CCCC1=C2C(C(=C(OC2=NN1)N)C#N)CC3=CC=CC=C3 1 3.569 4 1 -5.25621656976279 644626 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=CN=C4)O.O H2O 1 1.788 2 2 0 -5.81266101040831 644614 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC(=C(C=C3)F)F 1 4.236 2 2 -7.98438339636282 644613 CC1=CC=C(O1)C(C(=O)NC2CCCC2)N(CC3=CC=C(C=C3)F)C(=O)C4=CSN=N4 1 3.727 4 3 0 -14.1425911082682 644610 C1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC(=O)NCC4=CC=CO4 1 2.834 4 4 0 -21.5924301969057 644609 COCC(=O)N(CC1=CC=CS1)CC2=NC(=O)C3=CC=CC=C3N2 1 1.154 3 3 0 -12.6666615976975 644608 CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)N)C3=CC=CC=N3)C 1 3.089 5 1 -9.48275464485108 644607 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=CN3N 1 0.207 5 3 0 -17.9445977213845 644606 CCC(C(=O)NC1=CC=CC=N1)OC2=CC=CC=C2 1 2.846 2 2 -6.44435748272036 644604 CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CC3)C(=O)N4CCOCC4 1 1.257 3 4 0 -11.3590828614011 644603 CCCC1=NN=C(N1CC2CCCO2)SCC(=O)N3CCCC3 1 1.952 4 2 0 -25.9058415065299 644602 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(CC2)C(=O)OC 1 1.522 1 6 0 -9.96978413574573 644601 C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CCC(=O)O)C(=O)O 1 1.927 1 6 0 -15.9865115469826 644600 COCCN(CC(=O)NCC1=CC=C(C=C1)OC)C(=O)CCC(=O)NC2=NC=CS2 1 7.3e-002 4 5 0 -24.2900188080104 644599 C1COCCN1C2=NC(=NC(=N2)OCC#N)N3CCOCC3 1 -0.318 6 3 0 -4.84575692240729 644598 C1CCC(C1)CCC(=O)N2CCN(CC2)C(=O)C3=CN=CC=C3 1 1.682 3 2 0 -11.9883211972766 644597 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NN3)SCC(=O)NC4=NC=CS4 1 2.245 6 3 0 -21.4872514387264 644596 CCC1=NC(=CN1S(=O)(=O)C2=C(C=C(C(=C2)OC)C)C)C 1 3.24 2 3 -4.0716488613944 644595 CCOC(=O)CNC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)O 1 2.679 3 3 -4.01996423873604 644594 C1COC2(O1)C3=CC=CC=C3N(C2=O)CCC(=O)C4=CC=CC=C4 1 2.229 1 4 -9.4012234529252 644593 CCN1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)F)C 1 1.954 3 1 0 -5.79337367204066 644592 C1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3OC2=O 1 2.43 2 3 -6.53456649051064 644591 CC1=CN=C(C=C1)NC(=O)C2=CC=CC=C2F 1 2.694 2 1 -7.45265324806678 644590 CC1=CC=C(C=C1)CNC2=CC=C(C=C2)N3CCN(CC3)C(=O)C 1 3.087 3 1 -3.01750008758139 644589 C1COCCN1C(=O)OC2=CC=CC=C2OC(=O)N3CCOCC3 1 1.144 2 6 0 -7.28594098894525 644588 CC1CC2=CC=CC=C2N1C(=O)CSC3=C(C=CC=N3)C(=O)O 1 2.684 2 3 -15.0744870576173 644587 CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCC3=CC=CS3)C 1 2.832 3 2 -23.3132227503155 644585 COC(=O)C1=CC(=NN1)C2=CC=CC=C2 1 2.367 2 2 -4.52527262214938e-002 644584 CCC(=O)NC1=CN=C(C=C1C)NC(=O)C2=CC(=CC=C2)F 1 2.482 3 2 -6.31190873229066 644583 CC(C(=O)O)SC1=NC2=CC=CC=C2O1 1 2.404 1 3 -4.38957589401766 644582 COC1=CC=C(C=C1)S(=O)(=O)N2C3CCC2CC(C3)NC(=O)NC4=CC=CC=C4 1 2.186 3 4 0 -10.8786354658419 644581 CCC1(C2C(C(N1)C3=CC(=CC=C3)F)C(=O)N(C2=O)CC)C(=O)OCC 1 1.85 2 4 0 -0.904662075403 644580 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C3CCCC2CC(C3)NC(=O)C4CCCCC4 1 2.332 3 4 0 -12.536709045483 644579 CCCC(=O)NC1=NC=C(C=C1)NC(=O)C2=CC(=CC=C2)F 1 2.452 3 2 -12.617330656569 644577 CCC1=CC=CC=C1NC(=O)N2C3CCCC2CC(C3)NC(=O)C(C)(C)C 1 3.78 3 2 -13.7652584246606 644575 CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)C 1 2.322 4 3 0 -15.3174696961289 644574 CC1=CC=C(O1)C2=NN=C(O2)C3=C(C=CC(=C3)OC)OC 1 2.562 2 4 -0.41118880144417 644573 C=CCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4CCCCC4)C(=O)NC5CCCC5 1 1.604 3 4 0 -5.28074645131583 644572 CC1=CC(=CC=C1)N(CC(=O)NCC2=CC=CC=C2)C(=O)CN3N=C(N=N3)C4=CC=C(O4)C 1 3.017 6 3 0 -11.5197484977898 644571 CCCN1C(=C(C(=C(C1=O)C#N)C)CN2CCCCC2)O 1 2.43 3 2 -2.59003925431845 644570 CC1=CC=C(C=C1)NC(=O)N2C3=CC=CC=C3C4(C2=O)OCCO4 1 2.568 2 4 -6.48664022512196 644567 CCN1CCN(CC1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=C(C=C4)C 1 3.138 5 1 -7.36700289241283 644566 CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)Cl 1 3.589 1 2 -3.97559960528538 644565 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)OC 1 2.259 5 5 0 -25.4790565982049 644564 CC1=CC=CC2=C1N=C(C(=C2)C#N)N3CCCC3 1 2.923 3 0 0.63297266616004 644563 CC1=C(C=CC(=C1)C2=NN3C(=NN=C3S2)C)NC(=O)C 1 1.32 5 1 0 -11.7378609917825 644562 CCOC1=CC=CC=C1NC(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3C 1 2.799 3 3 -15.7584274564712 644560 COCCNC(=O)C(C1=CC=CC=C1OC)OC(=O)C2=CC=CO2 1 1.712 1 6 0 -15.7749571830988 644559 CC1=CC2=C(C=C1)C=C(C(=N2)NCC3=CC=CO3)C#N 1 3.022 3 1 -0.448009743400593 644558 CC(C)(C)NC(=O)CN(CC1=CC=CS1)C(=O)C2=CSN=N2 1 1.531 4 2 0 -21.6056014124561 644557 C1CCC(=CC1)CCNC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 3.126 2 2 -10.2278939364891 644555 C1CCCN(CC1)C(=O)C2=C(C=CC=C2Cl)Cl 1 3.946 1 1 -5.66831949472462 644554 C1CC(C1)C(=O)N2CCC(CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=C(C=CC=C5Cl)F 1 2.642 6 2 0 -9.63289721838943 644553 C1=CC(=CC=C1CN2C3=C(C=C2C(=O)NC4=NC=CS4)SC=C3)F 1 4.145 3 1 -6.3579643998974 644552 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=NN2CC3=CC=CC=C3 1 1.564 6 2 0 -26.3689844562622 644551 COCCSC1=NN=C(S1)NC(=O)CC2=CC=CC=C2OC 1 2.059 3 3 -18.8611103007371 644550 CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)N)Cl 1 4.14 2 1 14.8317059308533 644549 CC(C)OC(=O)CC(=O)C1=C(C2=CC3=C(CCN(C3)C)N=C2S1)N 1 2.077 3 3 -12.5927726414644 644547 CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)OC)OC)COC3=CC=C(C=C3)OC 1 3.179 4 5 0 -18.087288399782 644546 CCOC(=O)C1CCN(CC1)C(C2=CC3=C(C=C(C=C3)C)NC2=O)C4=NN=NN4C5CCCCC5 1 3.529 6 3 0 -26.9544899820505 644545 CC(C)NC(=O)CSC1=NN=C(N1CCCOC)C2=CC=CC=C2 1 2.126 4 2 -23.7769555764333 644544 CCC1=NC=CN1S(=O)(=O)C2=C(C=C(C=C2)Br)Br 1 3.498 2 2 -2.83115675215972 644543 CC1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)CNCCN4CCOCC4 1 0.643 5 2 0 -6.59318021681719 644542 C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)NC(=O)C3=CC=CO3 1 1.65 3 3 0 -13.8589959821673 644540 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)F)CCOC)O 1 0.786 1 4 0 -17.2319113160489 644539 CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C 1 4.107 4 1 -13.2135936004766 644538 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CC=C 1 2.89 4 4 0 -25.2669075551823 644537 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3C(C)C)C(=O)NC)C=C1 1 0.426 5 2 0 -19.5144623039205 644535 COCCN(C1=NN=C(S1)C2=CN=CC=C2)C(=O)COC3=CC=CC=C3 1 1.773 4 3 0 -7.04370332413326 644534 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=N2)SCC4=NN=C(O4)C5=CC=CC=C5 1 5.37 4 1 1.39494840757369 644533 CC1=C(C(C(=C(O1)N)C#N)C2=COC=C2)C(=O)OCC3=CC=CC=C3 1 2.302 2 4 -13.7534891094816 644531 CC1=C(C(=CC=C1)C)NC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3 1 4.047 3 2 -0.765395966158919 644530 CCOC(=O)CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C 1 1.207 5 4 0 -10.9866548395207 644529 C1=CC=C(C=C1)CCN2C=C(N=N2)C(=O)NCC3=CC=CC=N3 1 2.201 5 1 -23.5254667502403 644528 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)CNC3=CC=C(C=C3)OC 1 2.544 5 4 0 -18.2335765177801 644527 CC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3Br 1 3.149 2 2 4.17802104497642 644526 C1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC2=O 1 3.736 1 2 1.19690223537518 644525 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CSC3=NC(=CC(=N3)C)C 1 3.094 6 1 0 -20.6667919375915 644524 COC1=NC(=NC(=N1)NCCN2CCOCC2)NCC=C 1 0.608 6 2 0 -11.1839124339583 644523 COC1=CC(=C(C=C1NC(=O)C2CCCCC2)OC)NC(=O)CN3CCCCC3 1 3.087 3 4 0 -6.90742989753414 644522 COCCCN1C(=NN=C1SCC(=O)OC2CCCCC2)C3=CC=CS3 1 3.858 3 3 -19.5346654276328 644521 C1=CC=C(C=C1)C2=NN=C(O2)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=NC=C5 1 3.099 6 2 0 -7.81766226091502 644520 CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C)CCC3=NC4=CC=CC=C4N3 1 1.771 8 1 0 -20.6164063743372 644519 C1COCCN1C(C2=CC=CS2)C3=NN=NN3CCC4=CC=CC=C4 1 2.671 5 1 -15.5896209582768 644518 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3C(=O)OCC 1 3.304 2 5 0 -7.53887716799973 644517 COCC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N 1 1.298 3 2 0 -7.28213761928437 644516 C1=CSC(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)F 1 3.954 2 1 -9.98947364694551 644515 CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC(=CC=C3)OC)SCC(=O)N 1 3.144 4 3 0 -11.9947018964523 644514 CCCCCN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)NC2=O)C 1 1.037 6 3 0 -7.13557633286573 644513 C1CCCC(CC1)NC(=O)C2=NN3C=CC=NC3=N2 1 1.864 5 1 0 -7.97526557458466 644512 CCSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)OC)C#N 1 2.378 2 2 -11.9666072370228 644511 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.487 2 3 -5.51847812988953 644508 C1CN(CCC1NC(=O)NC2=CC=C(C=C2)F)CC3=NN=NN3CC4=CC5=C(C=C4)OCO5 1 1.701 7 3 0 -21.1931976369112 644507 C1CSC(=N1)SCN2C3=C(C=C(C=C3)Br)OC2=O 1 3.955 2 2 -4.60074097555782 644506 COC1=CC=C(C=C1)CNC(=O)C(C2=CC=CS2)N(C3CC3)C(=O)C4=CSN=N4 1 3.006 4 3 0 -13.550722652021 644504 CC(C)C(=O)NC1=NC=C(C=C1)NC(=O)C2=CC(=CC=C2)F 1 2.458 3 2 -10.3225745988495 644503 C1=COC(=C1)CNC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 2.967 1 3 -9.0551416214853 644502 CCC1=CC=CC=C1NC(=O)CN2N=C(N=N2)C3=CN=CC=C3 1 1.933 6 1 0 -7.06392502855542 644501 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC3 1 2.312 3 2 -18.6628983821791 644487 CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3CCCO3)C(=O)C4=CC=CO4 1 2.45 2 4 -16.1846532750535 644486 CCOC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)NCC3=CC=C(C=C3)OC)OCC 1 2.797 5 4 0 -13.5271287340043 644485 C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3O 1 2.604 2 3 -2.5038772097194 644484 CC1=NC2=C(C(=N1)N3CCCC3)N=NN2CC4=CC=CC=C4Cl 1 2.807 6 0 -7.72043906693551 644483 CC(C)(C)NC(=O)CN(C1=CC2=C(C=C1)OCCO2)C(=O)C3CC(=O)SC3 1 1.292 2 5 0 -16.2006414123852 644481 CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.692 5 2 0 -14.1298548195989 644480 CC1CCCN(C1)C2=NC=C(C=C2)C(=O)NCC3CCCO3 1 1.564 3 2 0 -12.6646902803299 644479 C1CCC(C1)N(CC(=O)NCC2=CC=CS2)C(=O)C3=CC4=C(S3)CCC4 1 3.909 2 2 -16.5258719519159 644477 CCC1=NN=C(S1)NC(=O)CSC2=NC3=C(N2C4CCCCC4)N=CC=C3 1 3.579 6 1 0 -22.8037957245076 644476 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=CC=CC=C4O3 1 2.164 2 3 -3.20987498032073e-002 644475 C1=CC=C(C=C1)COC(=O)CSC2=NN=C(O2)C3=CC=CC=C3F 1 3.708 2 3 -13.8667317025199 644474 CC1=NC=C(N=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C 1 1.978 5 3 0 -12.6989906955929 644473 CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)CC(=O)C4=CC=C(C=C4)Cl 1 4.158 4 1 -8.99731383888002 644472 CCC(C(=O)NC1=NOC(=C1)C)SC2=NC3=CC=CC=C3N2 1 3.212 4 2 -17.0667792394389 644471 CC(C)COC(=O)C1=C(SN=N1)NC(=O)NC2=CC=CC=C2 1 2.668 4 3 0 -13.2454092388862 644469 CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OCC)CNC3=CC=C(C=C3)C 1 3.744 5 3 0 -21.3595782628877 644468 CCC1=C(C=C(O1)C(=O)O)COC 1 1.471 0 4 0 -4.10719541782152 644466 C1=COC(=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)F 1 3.416 3 1 1.31215557421597 644465 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OC2=CN=CC=C2 1 1.926 2 4 0 -19.5640407492395 644464 COC1=CC2=C(C=C1)NC3=C2C=C(C=C3)OC 1 3.29 1 2 4.9842247751897 644463 COC1=CC=CC(=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=N3 1 2.068 5 2 0 -13.0375650301422 644462 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC=CN=C3 1 2.317 4 3 0 -1.71079877901236 644461 CCOCCN1CCN(CC1)C2=C3CCCC3=NC4=CC(=NN42)C5=CC=C(C=C5)F 1 4.196 5 1 -0.872337441239842 644460 CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)OC 1 1.824 2 3 0 -13.610636024163 644458 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)OC)OC 1 1.656 3 5 0 -20.3814227836723 644457 C1=CC=C(C=C1)C2=NC(=C(O2)COC(=O)C3=CC=CO3)COC(=O)C4=CC=CO4 1 3.613 1 7 0 5.74836116910993 644456 CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC(=O)C3=CC=CC=C3 1 3.79 2 3 -11.8158096116807 644455 COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 1.485 5 2 0 -16.9706304980255 644454 CCOC(=O)CSC1=NC(=NC2=CC=CC=C21)C3CC3 1 3.238 2 2 -10.0781589238658 644453 CN1C=NN=C1SCC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N 1 1.262 8 1 0 -14.7696606103692 644452 CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=NN=NN3CC4=CC=CC=C4)C5CCCC5 1 3.845 6 1 0 -19.0435033643264 644451 C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(C3=CN=CC=C3)C(=O)CNC(=O)C4=CC=CO4 1 1.611 5 4 0 -20.2000307502082 644450 CC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N14)SCC(=O)NCC5=CC=CO5 1 3.285 5 2 0 -24.6307756183817 644449 C1CC(C1)(C2=CC(=CC=C2)Cl)C(=O)O 1 3.123 0 2 -0.20204835594963 644448 C1=CC=C(C=C1)C2=NC=CN2CCC(=O)O 1 1.577 2 2 0 -4.91192255319834 644447 COC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC=CO3 1 3.048 3 3 -13.1489713045209 644446 COCC(=O)N(CCC1=CC=C(C=C1)OC)CC2=NC(=O)C3=CC=CC=C3N2 1 1.719 3 4 0 -11.9851641386219 644445 CC1=CC2=NN=C(N2C(=N1)N)SCC3=CC=CC=C3 1 2.7 5 0 -8.75394730604612 644444 C1=CC=C(C=C1)SCCNC(=O)C2=CC=CO2 1 2.623 1 2 -6.42928629517938 644443 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN5C(=CC(=NC5=C4)C6=CC=CO6)C(F)(F)F 1 4.595 4 2 -11.9257024302783 644440 C1CCC(CC1)N2C(=NN=N2)SCC(=O)NCCC3=CC=CC=C3 1 3.046 5 1 -31.5804611866038 644439 CCOC(=O)C1=C(OC2=C(C1C3=COC=C3)C(=O)CC(C2)(C)C)N 1 1.739 1 5 0 -23.6816476014243 644438 C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)O 1 3.06 1 3 1.84258082807919 644437 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CO4 1 3.638 3 3 -27.380335610685 644436 CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)N 1 3.02 2 1 12.8811254578616 644435 C1CN(CCC1(C2=CN=CC=C2)O)C(=O)C34CC5CC(C3)CC(C5)C4 1 1.857 2 2 0 0.350531508822503 644434 CC12CCC3C1(COC2(C3)C(=O)NC4=CN=CC=C4)C 1 1.206 2 2 0 -5.59431102677503 644431 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CN=CC=C3 1 1.949 3 3 0 -0.810346424081878 644430 CN(C)C1=NC(=NC(=N1)NCC2=CC=CC=C2)OC3=NNC(=O)C=C3 1 1.616 7 2 0 -12.2443444211845 644429 C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C4=CC=CC=C4SC3=O 1 2.526 2 4 -8.07100591235604 644428 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)C3=NC(=NN3)SCC(=O)N4CCCC4 1 3.074 5 3 0 -14.6677541017899 644427 CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N(C)C 1 3.172 1 4 -9.36302269789821 644426 COCCCNC(=O)C1=CN(N=N1)CC2=C(C=CC=C2Cl)F 1 2.034 4 2 -27.2025242813162 644425 CC1=CC=C(C=C1)C(C2=NN=NN2C(C)(C)C)N(CC3=CC=CO3)CC4=CC=CS4 1 4.632 5 1 -9.85496332789636 644424 CC1=CC=C(C=C1)CN2C(=NN=N2)CN3CCC(CC3)(C4=CC=C(C=C4)OC)O 1 2.332 5 2 0 -10.6290065382061 644423 CC(C(=O)NCCCN1C=CN=C1)OC2=C(C=C(C=C2)Cl)Cl 1 2.49 3 2 -6.70261673134469 644422 C1CCC2=C(C1)C=CC=C2N3C(=NN=N3)SCC(=O)N4CCOCC4 1 2.267 5 2 0 -24.8725843573873 644421 CC(=O)OCN(C#N)C1=NC(=NC(=N1)N(C)C)N(C)C 1 -0.111 7 2 0 -5.97160389410971 644420 C1CCC(CC1)OC(=O)CN2N=C(N=N2)C3=CC=CS3 1 3.024 4 2 -7.1739789826278 644419 C1=CC=C2C(=C1)C(=NNC2=O)CNC(=O)CSC3=NC4=CC=CC=C4O3 1 2.018 4 3 0 -19.9644718841164 644418 COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.274 2 5 0 -11.2278717801178 644417 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2CCOC)N=CC=C3 1 2.521 4 3 0 -18.8693108619253 644415 CC1=C(N2C(=NC=N2)N=C1C)N3CCN(CC3)C(=O)CC4=CC=CS4 1 2.58 6 1 0 -15.4742004541429 644414 C1=CC2=NC3=C(C=C(C(=N)N3CC4=CN=CC=C4)C#N)C(=O)N2C=C1 1 0.357 6 1 0 -17.8760555778527 644413 CN1CC2C(C(C(C(=C2C=C1)C#N)N)(C#N)C#N)C3=CC=CC=C3 1 0.823 5 0 0 -4.93572619550284 644412 COC1=CC=CC=C1N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)O)OC 1 3.956 2 4 -6.51429990145559 644411 CC1=CC=CC=C1NC(=O)C2CCCN2C(=O)NC3CCCCC3 1 3.152 3 2 -13.3269755841056 644410 COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC3=C2N=CC=C3 1 2.619 2 3 -7.31295337835476 644409 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3)C(=O)NCC4CC4 1 0.469 6 3 0 -30.1767203903031 644408 C1CCC(C1)NC(=O)CN(C2CCCC2)C(=O)CS(=O)CC(=O)NC3=CC=C(C=C3)F 1 1.654 3 4 0 -9.32549371906419 644407 CCOC1=CC=CC=C1C2CC(=O)NC3=CC4=C(C=C23)OCCO4 1 2.677 1 4 -12.1586073680958 644406 CC(=O)C1=CC(=CC=C1)NC2=NN=C(C=C2)C3=CC=CC=C3OC 1 3.334 3 2 -3.22772039359167 644405 CN(C1CCCCC1)C(C2=CC3=CC(=C(C=C3NC2=O)OC)OC)C4=NN=NN4C5CCCCC5 1 4.192 6 3 0 -24.7216004037467 644404 CC1CN2C3=C(N=C2O1)N(C(=O)NC3=O)C 1 0.415 4 3 0 -4.75462554039885 644402 C1CCC2=C(C1)N=C(S2)NC(=O)CSC3=NN=NN3C4=CC5=C(C=C4)OCCO5 1 2.61 6 3 0 -25.7321661717535 644401 CC(C)NC1=NC(=NC(=N1)C#N)NC(C)C 1 1.093 6 0 0 -7.60807070769155 644399 CC(C)CCN1C(=NN=N1)C(C2=CC=CC=C2)N3CCN(CC3)C 1 2.663 6 0 -15.6740467409275 644397 CCOC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)C3=C(C=CC(=C3)OC)OC 1 3.06 4 4 0 -3.9209028775344 644396 COC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C(F)(F)F 1 2.421 3 2 -7.50339979325681 644395 C1CC1C2=CC=[N+](C=C2)[O-] 1 0.657 1 1 0 -6.7642385001386e-002 644394 CC1(C(=O)N(C(=O)N1)CC(COC2CCCCC2)O)C 1 1.058 2 4 0 -8.0358350256365 644393 CC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCN(CC3)CC4=NN=NN4CC5=CC=CC=C5 1 3.09 8 0 0 -11.613503085797 644392 CN1C(=O)CC(SC1=NC2=CC(=CC=C2)OC)C(=O)NC3=CC=CC=C3F 1 3.297 3 3 -3.07027456719958 644390 CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC=CC=C2Cl 1 1.667 3 3 0 -8.77926175591776 644354 C1=CC=C2C(=C1)C(=CN2)C3=CC=NC=C3 1 2.491 2 0 3.38027173835281 644274 C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)N3C=C[N+](=C3)CC(C4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)Cl.[Cl-] Cl- 1 11.512 2 1 7.67009678351952 644230 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O 1 4.093 3 3 -18.695018146264 644228 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CC3=CNC4=CC=CC=C43 1 3.181 3 3 -13.8584775236227 644215 C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO 1 2.344 5 1 6.42258971760972 644213 C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 3.173 2 3 -5.25990803455713 644020 C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4[C@H]3CCCC4 1 2.363 2 0 0.997251592341443 643460 C/C=C/C=C/C(=O)O 1 1.363 0 2 0 -0.52672839695234 643392 COC1=C(C=C(C=C1C(=O)O)Br)Br 1 2.94 0 3 1.82401063411717 643299 CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O 1 1.162 2 4 0 -7.80706225237754 643182 C1OC2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC=CC=C3 1 3.47 0 3 -1.11371654568858 643161 C1=CC=C2C(=C1)C(=CNC2=O)C(=O)O 1 0.316 1 3 0 -7.25767543199904 643007 CC(=CCC/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)/C)C 1 6.659 0 4 4.06040933193566 642390 COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CC=C3O)/O2 1 2.878 0 4 2.60579408544719 642387 COC1=CC(=C2C(=C1)O/C(=C\C3=CC=CC=C3)/C2=O)OC 1 3.103 0 4 -4.5785688434863 642371 C1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3C(=O)O2 1 3.122 0 2 0.290353610335208 641951 CSC1=NC2=NC3=C(CCC3)C(=O)N2N1 1 1.608 4 1 0 -7.4655938153644 641891 CC1=C(C=NC2=C(C=NN12)C3=CC=CC=C3)C(=O)C 1 1.643 3 1 0 -7.21018461338797 641836 C1=CC=C2C(=C1)C(=O)N(C2=O)CCN3C=CN=C3 1 0.604 3 2 0 -0.50387501305523 641785 COC1=CC(=CC(=C1C(=O)/C=C/C2=CC=CC=C2)O)O 1 3.201 0 4 3.03687317571243 641401 C1COCCN1C2=NSN=C2OC3=CC=C(C=C3)Br 1 2.809 3 2 2.08482690957221 641399 CC1=CC=C(C=C1)OC2=NSN=C2N3CCOCC3 1 2.547 3 2 1.71948796408683 641240 C(/C(=C(/CO)\Br)/Br)O 1 0.475 0 2 0 -0.228511781897653 641184 COC(=O)C1=CNC(=O)C2=CC=CC=C21 1 0.542 1 3 0 -8.34604995808673 641115 C1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.397 1 3 -6.45861853439512 641098 C1=CC=C(C=C1)/C=C/C2=CC=NC=C2 1 2.665 1 0 2.59094894048575 640910 C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)O)O 1 2.448 0 4 -3.6176132369213 640711 CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2 1 3.854 2 0 4.97594823397937 640708 CCOC(=O)C1=NC2=CC=CC=C2S1 1 2.524 1 2 -2.93200995315645 640180 C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2 1 4.16 0 1 0.189115109613397 640114 CC(=O)C1=CC=C(C=C1)OCCCCOC2=CC=C(C=C2)C(=O)C 1 3.567 0 4 -3.83952950570251 640062 C1=CC=NC(=C1)CC(=O)C2=C(C=C(C=C2)O)O 1 2.062 1 3 2.25894464846901 639715 CC1=NSC2=C1C=C3C(=C(C(=C(C3=N2)F)F)F)F 1 3.532 2 0 1.07869991452904 639603 C1=CC=NC(=C1)C=NNC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.125 3 2 -2.11968851749824 639431 C1=CC=C2C(=C1)N=CN2CCN3C=NC4=CC=CC=C43 1 2.921 4 0 -3.05052579863045 639428 C1=CC=C2C(=C1)N=CN2CCC(=O)N 1 0.653 3 1 0 -7.16530038586652 639427 CC1=NC2=CC=CC=C2N1C3=CC=CC=C3 1 3.388 2 0 0.83332246836826 639252 CC1=NN2C(=C(C=NC2=C1)C(=O)C)C 1 0.408 3 1 0 -7.26042431268035 638860 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N 1 2.883 1 2 -0.971853466505414 638759 C1=CC(=CC=C1C(=O)CCO)O 1 0.904 0 3 0 1.14742293000555 638439 COC1=C(C=CC(=C1)/C=C/[N+](=O)[O-])O 1 1.551 1 4 0 9.11064920297821 638310 C1=CC=C2C(=C1)C3=C(C4=CC(=C(C=C4O3)O)O)C(=O)O2 1 3.061 0 5 0.867813338967804 638296 C[C@]12CCC[C@H](O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C=C(C=C5C4=O)O)O 1 2.514 0 7 0 5.26133551687044 638278 C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O 1 2.975 0 4 5.50357504219798 638276 C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O 1 3.46 0 2 3.31491243925392 638234 C1CCN2C[C@H]3C[C@@H]([C@@H]2C1)CN4C3=CC=CC4=O 1 1.144 2 1 0 -1.13392629709845 638164 CC(=NO)/C=C/C1=CC=CC=C1 1 2.095 1 1 3.72532149660693 638024 C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3 1 2.864 1 3 -2.41725489564689 638006 COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3 1 2.85 0 3 0.654907975571902 637858 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O 1 2.135 1 5 -5.41462186407768 637796 C/C=C/C1=CC2=C(C=C1)OCO2 1 2.552 0 2 -0.438729217391335 637775 COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O 1 1.652 0 5 0 0.178457342950968 637760 C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2 1 3.701 0 1 0.868273726155169 637570 CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@@](C2)(C(=O)OC)O 1 3.546 2 3 1.75994713213332 637542 C1=CC(=CC=C1/C=C/C(=O)O)O 1 1.685 0 3 0 2.41421260290082 637362 COC1=CC(=CC(=C1OC)OC)OCC=C 1 2.381 0 4 -7.62186059798901 637166 C1C=CC(=O)O[C@H]1/C=C/C[C@H](C[C@@H](CCC2=CC=CC=C2)O)O 1 2.929 0 4 -1.59502538250671 636362 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O.Cl Cl- 1 0.644 1 9 0 -5.92841885613629 634713 CC1=CC(=NN1C2=NC(=NC(=N2)NC3=CC=CC=C3C(F)(F)F)N4C(=CC(=N4)C)C)C 1 4.673 8 0 0 -2.41082736152332 633837 C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC(=CC=C3)Br 1 3.797 2 1 1.20906701615302 633303 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)CN4CCOCC4 1 3.707 2 4 -2.00102279997235 633186 CC(C)CSC1=NC(=C2CSC(CC2=C1C#N)(C)C)N3CCOCC3 1 4.425 3 1 -13.3126339275424 633185 C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=CC=C4)C5=CC=C(S5)[N+](=O)[O-] 1 4.653 3 3 2.73937883966145 633148 CC(=O)N1CC2(CN(CC(C1)(C2=O)C3=CC=CC=C3)C(=O)C)C4=CC=CC=C4 1 1.281 2 3 0 -4.97144241417829 633100 CN(C1CCS(=O)(=O)C1)C(=O)COC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.147 1 5 -13.460177657895 632883 CN1C2=C(C(=O)N(C1=O)C)C(N=C(N2)C3=CC=CC=C3Cl)(C(F)(F)F)C(F)(F)F 1 3.404 4 2 -5.57373313831148 632765 CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CN=CC=C3)C 1 1.772 1 4 0 -5.46262146583907 632725 CC(C)(CO)NC(=O)CC1=C(C2=CC=CC=C2N1C)SC3=CC=CC=C3 1 4.025 2 2 -5.52966970670118 632713 CCOC(=O)CC1(C(=O)C2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)OC 1 2.956 0 6 -11.6497950182163 632654 COC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3 1 2.689 3 3 -3.26371605278986 632515 CN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl 1 3.919 2 1 4.36280729644962 632200 CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC(=C(C=C2)OC)OC)C(=O)OC 1 2.44 1 6 0 -6.92895991790191 632022 CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)C(C(F)(F)F)(OC)F 1 2.459 2 4 -14.9612572995643 631920 CCOC(=O)C(C1=CC=C(C=C1)N=C2C=CC=CN2C)(C(F)(F)F)O 1 2.276 2 3 -4.25252008122979 631873 CC1(CC2(CC(OC3=C2C=CC(=C3)O)C4=CC=CC=C4)N=C(N1)SC)C 1 4.002 2 2 2.33760333506905 631854 CCOC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3 1 3.166 3 2 -1.35772864826996 631729 CC(=O)OC1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl)C 1 4.177 2 3 0.487119353941367 631721 CC1=CC=CC=C1C2=NC(C3=C(N2)N(C(=O)N(C3=O)C)C)(C(F)(F)F)C(F)(F)F 1 3.226 4 2 -6.11506401473836 631597 CC1CCCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C 1 2.95 2 3 -17.8877582259294 631571 C1=CC(=CC(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)O 1 2.693 4 8 0 -0.852564862612102 631552 C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N 1 4.522 2 0 2.05451241665984 631549 COC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3 1 2.837 4 3 0 -3.77792977859615 631488 CC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC=C4C(=N3)CC(CC4=O)(C)C 1 3.319 5 1 -9.36953708333113 631429 CN(C1=CC=CC=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCC4 1 3.889 2 2 1.38127219448766 631400 CCC1=C(OC2=C1C=C3C(=CC(=O)OC3=C2C)C)C(=O)C4=CC=CC=C4 1 5.773 0 4 0.656784290762189 631208 C1C2CS(=O)(=O)CC2N(C1=O)C3=CC=C(C=C3)OC4=CC=CC=C4 1 2.055 1 4 -6.42495810166419 631200 C1=CC=C2C(=C1)C(=CC=[N+]2[O-])SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.079 3 5 0 0.266179916127377 631101 C1=CC=C2C(=C1)N=C(O2)C3=CC4=C(C=CC(=C4)Br)OC3=O 1 4.059 1 3 9.62946140415285 630991 CCOC(=O)C1=C(N(C(=S)S1)C2=C(C=CC(=C2)OC)OC)N 1 3.279 2 4 -6.89393428171521 630988 CC(=O)NC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl 1 2.336 2 3 1.70033389618969 630980 CN1C2=CC=CC=C2C(=C1CC(=O)NCCO)SC3=CC=CC=C3 1 3.442 2 2 -6.50540142356586 630962 C1=CC=C(C=C1)SC2=C(NC3=CC=CC=C32)CCC(=O)NCCO 1 3.271 2 2 -6.73252869665227 630907 CCOC(=O)CC1=C(C2=C(N1C)C=CC(=C2)C)SC3=CC=CC=C3 1 5.464 1 2 -0.904767957388742 630888 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])O 1 4.629 1 4 -2.53250821233359 630861 C1=CC=C(C=C1)C2=NC(=CC(=N2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N 1 4.071 4 0 7.96262407843466 630835 COC(=O)C1=CC(=O)N(C(=NC2=CC=CC=C2)S1)C3=CC=CC=C3 1 3.898 2 3 -4.33517523648749 630816 C1=CC=C(C=C1)C2=NC(=CC(=N2)C3=CC(=CC=C3)N)C4=CC=C(C=C4)N 1 4.071 4 0 10.249615686483 630757 CCOC(=O)C1=C(N=C2CC(CC(=O)C2=C1C3=CC=CC=C3)(C)C)C 1 3.671 1 3 -10.5106711238395 630731 CC(=O)OC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl 1 3.972 2 3 -6.02825615157676 630631 CCOC1=CC=C(C=C1)NC(C2=CC=CC=C2)P(=O)(OC)OC 1 3.068 1 4 -7.80545337835065 630595 CCN1CCC2=C(C(=NC(=C2C1)N(CC)CC)NCC3=CC=CC=C3)C#N 1 3.913 5 0 -7.0666365111122 630512 CC(C)(C)NC1=NC(=NC(=N1)OCC(F)(F)F)OCC(F)(F)F 1 3.758 4 2 -7.97244141863997 630454 COC1=C(C=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N4CCCC4)OC 1 4.436 3 2 3.55394551799436 630406 C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)N)N)N4CCOCC4 1 2.189 4 2 -7.98038468564921 630400 CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC=NC4=CC=CC=C43 1 4.034 4 0 3.03749985728501 630398 C1=CC=NC(=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=CC=C4Cl)F 1 3.802 5 1 -7.82622994570281 630352 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)Cl)[N+](=O)[O-] 1 4.839 3 3 -2.38510203982527 630336 C1C(=O)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)Br 1 2.117 2 2 -1.86191281957883 630233 C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C3N2)[N+](=O)[O-])[N+](=O)[O-] 1 2.637 4 7 0 -3.5629795789907 630182 C1C(=O)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3Cl)Br 1 2.782 2 2 -0.508228956497894 630151 C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3C(=N2)C5=CC=CC=C5Cl 1 5.329 3 0 0.637769809689789 630093 C1CCC2=NN3C=C(N=C3N=C2C1)C4=CC=C(C=C4)Br 1 3.94 4 0 0.941879586688733 630091 C1=CC(=C(C=C1[N+](=O)[O-])N=CC2=CC=C(S2)Br)F 1 4.047 2 2 4.70141034870348 630034 C1=CC=NC(=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=N4 1 3.338 4 1 1.670027737197 629929 CCOC(=O)C1=C(N=C(C(=C1C2=CC=CC=C2)C(=O)OCC)C)C 1 3.171 1 4 -2.27388545451837 629923 COC1=C(C=C2C(=C1)CC3(CCCC3)N=C2NN4C=NN=C4)OC 1 1.794 5 2 0 -4.91133480754795 629852 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=CC=C4 1 4.817 2 2 1.40042000780687 629840 C1=CC=C(C=C1)C2=CC(=NC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 5.376 2 2 2.4832720844938 629761 CCOC(=O)C1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)C 1 4.685 1 2 1.72818039532368 629758 CCOC(=O)CC1=C(C2=CC=CC=C2N1C)SC3=CC=CC=C3 1 4.978 1 2 -3.51501710083982 629688 CC1(CC2=NNC(=O)C=C2C(=NN=CC3=CC=C(C=C3)OC)C1)C 1 2.317 4 2 -11.0168324344188 629629 CC(=O)NC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.685 3 1 1.77397640878556 629546 CC(=O)NC1=NC2=C(CC(CC2)C(C)(C)C)C3=C1C(=O)OC4=CC=CC=C43 1 4.145 2 3 -10.3905997159862 629485 CCCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)OCC)F 1 3.269 2 3 -4.24949733124551 629468 CC(=O)NC1=CC=C(C=C1)N2C(=O)CC(CC2=O)C3=CC=CC=C3 1 1.85 2 3 0 -8.50652085425733 629437 CC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl 1 4.198 2 1 -2.26246659262889 629428 CCC(=O)OC1=C(C2=NC3=CC=CC=C3N=C2C4=CC=CC=C41)C5=CC=CC=C5 1 5.921 2 2 -1.7564597680352 629427 COC1=C(C=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)OC)OC 1 4.416 2 3 -1.40528236150373 629413 COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.Cl Cl- 1 3.962 1 4 1.99694294258464 629405 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2=NON=C2N 1 0.659 5 5 0 -15.8364950001158 629376 CC(C)SC1=NC(=C2CSC(CC2=C1C#N)(C)C)N3CCOCC3 1 3.96 3 1 -10.4465233564052 629359 COC1=CC=C(C=C1)CNC(=O)C2=CC(=CN=C2)Br 1 2.203 2 2 -7.01326928396772 629349 C1=CC(=C(C=C1N)C(F)(F)F)C2=C(C=C(C=C2)N)C(F)(F)F 1 3.739 2 0 3.93457381027957 629202 CN(C)C1=C(C=C(C=C1)C=NNC(=O)C2=NON=C2N)[N+](=O)[O-] 1 0.765 7 4 0 -14.4676756697675 629239 CCOC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C 1 3.008 1 4 -10.1910448813723 629182 CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCCCC4)[N+](=O)[O-] 1 3.59 4 3 0 -2.57997629067916 629147 CCCCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC(C)C 1 2.348 2 3 -16.9154712545756 629128 CN1C2=CC=CC=C2N=C1C3=C(N(CC3=O)CC4=CC=CC=C4)N 1 2.707 4 1 -3.05279131906084 629125 CC1=CC(=NC2=C1C(=C(S2)S(=O)(=O)C3=CC=CC=C3)N)C 1 2.989 2 2 -5.27082427178263 629081 CC(=O)OC1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)C 1 3.513 2 3 -0.111966556033675 629074 C1=CC=C(C=C1)C2=NC3=C(C(=C2)C4=CC=CO4)C(=C(S3)C#N)N 1 4.024 3 1 4.86432064981237 629063 COC1=CC2=C(C=C1)N=C(C(=C2N)C#N)C(C(F)(F)F)(F)F 1 2.994 3 1 -9.10336777518612e-002 629029 C1=CC(=C(C=C1C2=CC=C(O2)C=NN3C=NN=C3)[N+](=O)[O-])Cl 1 2.808 5 3 0 0.8704707556159 629012 CC1=CC(=O)OC2=C1C=CC3=C2C(=C(O3)C(=NO)C4=CC=CC=C4)C 1 4.898 1 4 1.0081098887605 628999 C1OC2=C(O1)C=C(C=C2)C3=CC(=C(C(=O)N3)C#N)C4=CC=CC=C4 1 2.51 2 3 -5.126137286707 628987 C1=CC=C(C=C1)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4 1 4.995 2 0 8.42793563335506 628912 COC1=C(C(=C(C(=C1[N+](=O)[O-])C(=O)OC)[N+](=O)[O-])OC)OC 1 1.424 2 9 0 -4.81561767278329 628864 CC1=CC=CC=C1N=C2C3=C(C4=C2C=C(C=C4)[N+](=O)[O-])N=CC=C3 1 4.418 3 2 4.23010046818173 628837 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC(=O)OC 1 2.289 1 5 -10.7163546536214 628785 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)CC4=CC=NC=C4 1 3.263 2 2 -4.97507041987659 628693 CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NC4=CC=C(C=C4)O)C#N 1 4.548 4 1 -7.24919908449257 628678 C1=CC=C(C=C1)CNC(=O)C2=C(C(=C(N=C2Cl)Cl)Cl)Cl 1 4.547 2 1 -6.63845838318966 628668 C1=CC(=CN=C1)OC2=C(C=C(C(=C2)C#N)C#N)OC3=CN=CC=C3 1 2.407 4 2 -3.75674206811964 628665 C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3C(=N2)C5=CC=C(C=C5)F 1 4.87 3 0 2.16700064134021 628617 CC12CN3CCN(C1)CC(C3)C2=NNC(=O)NC4=CC=CC=C4 1 1.101 5 1 0 -6.32561417812913 628602 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(C=C4)N 1 3.826 3 1 5.88708545002345 628572 C1=CC=C(C(=C1)N2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)C5=CC=CC=C5O)O 1 2.564 2 6 0 -1.69377950428454 628528 COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3)OC)OC 1 2.817 0 5 -3.58333319176783 628469 COC1=CC2=C(C=C1)OC=C2C(=O)C3=C(C=CC(=C3)OC)OC 1 3.488 0 5 -0.176667323058478 628462 CC1(CC2=C(C(CC(=O)N2)C3=CC=C(C=C3)N(C)C)C(=O)C1)C 1 2.17 2 2 -18.9452477158527 628390 C1=CC(=C(C=C1N=CC2=CC=C(S2)[N+](=O)[O-])[N+](=O)[O-])Cl 1 3.957 3 4 0 8.53627714610504 628339 CC1=NC2=C(N1C)C=CC(=C2)NCC3=C(C(=CC=C3)OC)OC 1 3.171 3 2 0.51481868053761 628325 CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C3=CC=CC=C3 1 4.821 4 2 -1.88854571048859 628269 CC1=CC=CC2=C1CC(NC2=C3C(=O)CC(CC3=O)(C)C)(C)C 1 3.061 1 2 -11.0898389967034 628238 CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2OC)N 1 3.296 2 3 -8.05939209334177 628213 CC1=NC2=C(C(=N1)OC3=CC=C(C=C3)Cl)OC4=CC=CC=C42 1 4.702 2 2 9.34359922437362 628206 CCCN1C2=CC=CC=C2N=C1C(C3=CC4=C(C=C3)OCO4)O 1 3.499 2 3 -4.58390334172411 628205 CCCN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)OCC)O 1 4.064 2 2 -4.59114733977069 628149 C1C(=O)NC2=C(C(=N1)C3=CC=C(C=C3)Cl)OC4=CC=CC=C42 1 3.56 2 2 4.56327542422323 628122 CC1=C(C2=C(O1)C=CC(=C2CN(C)C)O)C(=O)C3=CC=CC=C3 1 3.514 1 3 3.29320053546224 628117 C1=CC=C2C(=C1)C3=C(O2)C(=O)N=C(N3)CSC4=CC=CC=N4 1 2.87 3 2 -4.67544465174742 628089 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CC3=CC=CC=C3)C 1 4.02 1 3 -2.71096874845725 628041 CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)OCC)F 1 2.813 2 3 -3.78281180726789 628038 CC(=O)NC1=NC2=C(CCCC2)C3=C1C(=O)OC4=CC=CC=C43 1 2.979 2 3 -6.50448268819184 628032 CC1C2CCC3(C(CCC(=C)C3(C2OC1=O)O)OC(=O)C)C 1 1.951 0 5 0 -7.23572558716914 628025 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CO2 1 0.92 2 4 0 -14.6548182424956 628015 C1=CC=C(C=C1)SCC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3 1 3.482 2 2 -0.600851974989939 628013 C1CN=C(CC(N1)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3O 1 2.648 2 2 0.863159864352119 627978 CC1(CC2(C3=C(N1C(=O)N2C4=CC=CC=C4)C=CC(=C3)OC)C)C 1 3.369 2 2 -2.5067161524632 627975 CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC)C)Br 1 3.095 2 2 -7.16899678264231 627918 C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=NON=C3N 1 1.769 5 2 0 -13.8731922146108 627850 C=CCNC1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3 1 -7.9e-002 6 2 0 -6.34998040469397 627826 CC12CN3CC(C1=O)(CN(C2)P3(=O)OC4=CC=CC=C4)C 1 0.959 2 3 0 -4.36098516754483 627800 CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCC2)NC(=O)C3=CC=CO3 1 2.653 2 5 0 -17.3553838889998 627763 CCOC1=CC=C(C=C1)C2C(=C(N3C4=CC=CC=C4SC3=C2C#N)N)C#N 1 4.182 4 1 -6.01038727996771 627734 CCOC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2 1 2.521 1 4 -11.2554675176208 627678 CC1=NN(C(=O)C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl 1 3.945 2 1 -2.19790350785685 627579 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCOCC3)F)C(=O)NN 1 0.441 4 3 0 -2.71007183755969 627566 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CN=C2)Br 1 1.626 3 2 0 -8.46552284797762 627403 CCS(=O)(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)C)C=C1 1 2.593 2 3 -7.55946329120011 627401 CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)CN3CCC(CC3)C 1 3.641 1 4 -3.61749452555939 627336 CC(=O)OC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3 1 3.307 2 3 -6.6273420615518 627327 C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)Br 1 3.889 1 2 -4.74107034747214 627326 C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)Br)N 1 2.81 1 2 4.13717210761502 627325 C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)O 1 2.928 2 2 -2.00982142473786 627279 C1CCN(CC1)C2=NC(=NC(=N2)CSC3=CC=CC=C3)N 1 2.713 5 0 0.806494545434257 627239 CCCC1=C(N=C(S1)N2CCCC(C2)C(=O)N)C3=CC=CC=C3 1 3.194 3 1 3.30396908097469 627227 C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)[N+](=O)[O-] 1 3.137 2 3 -4.72146420507453 627189 CCC1=CC=C(C=C1)C2=CN3C(=N2)N=CC(=N3)C4=CC=CC=C4 1 4.554 4 0 3.22489723183743 627101 CCN1CCC2=C(C(=NC(=C2C1)N3CCOCC3)N4CCOCC4)C#N 1 1.213 5 2 0 -6.82404495600097 627093 CCC(=O)NC1=NON=C1C2=NC3=CC=CC=C3N2N(C(=O)CC)C(=O)CC 1 2.528 6 4 0 -6.557993902227 627086 CC(=O)NNC(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3 1 1.484 4 3 0 -2.478009916258 627056 C1=CC(=C(C(=C1)Cl)C2=NN=C3N2C(=CC=C3)Cl)Cl 1 4.447 3 0 -2.81510075680001 627043 CCOC1=CC=C(C=C1)C2=C(C(=O)N3CCSC3=N2)C#N 1 2.398 3 2 -7.88987031659889 627025 CC1CN(CC(O1)C)C(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 2.897 2 3 -14.2896492370181 626866 COC1=CC(=C(C=C1)OC)C(=O)C2=COC3=C2C=C(C=C3)O 1 3.262 0 5 2.3657937058515 626848 CCCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=CC=C3 1 2.67 4 2 -6.39506115213824 626829 CC(=O)N1CCN(CC1)C2=NC(=C3CSC(CC3=C2C#N)(C)C)C4=CC=CO4 1 2.404 4 2 -7.29354113367229 626785 C1=CC=C(C=C1)SC2=C(NC3=CC=CC=C32)CCC(=O)O 1 4.232 1 2 0.475283328545839 626754 CC(C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)[N+](=O)[O-])O 1 3.102 3 3 -7.24560825313589 626715 C1=CC=C(C=C1)C2=C(SC(=N2)N)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.731 3 2 9.63651323048425 626653 CCSC1=C(C=CC2=C1C(=O)C3=CC=CC=C3C2=O)C(=O)NC 1 2.907 1 3 -5.15573834311957 626649 CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N3CCSC3=N2)C#N 1 3.466 3 1 -4.13254680663542 626588 C1CSCCN1C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.413 2 0 4.91657292890242 626587 COC(=O)CN1C2=CC=CC=C2N=C1C(C3=CC=CC=C3)O 1 2.566 2 3 -10.3797008926799 626557 CCN1C2=CC=CC=C2N=C1C(C3=CC4=C(C=C3)OCO4)O 1 2.976 2 3 -3.59865310939396 626543 CCCN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)OC)O 1 3.715 2 2 -4.04322349126982 626536 C1=CC(=CC(=C1)OCC(=O)NC2=CN=CC=C2)C(F)(F)F 1 2.241 2 2 -2.09304158974549 626477 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N24 1 4.664 3 0 0.812194202547355 626461 CC(C)(C)C1=CC2=C(C=C1)OC(=O)CC2C3=CC=C(C=C3)OC 1 4.591 0 3 1.80765481093063 626459 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)C 1 4.013 1 3 -1.46760077293915 626432 C1COCCOCCOCCOCCN1C2=CC=CC=C2 1 1.287 1 4 0 1.31068804016892e-002 626421 CC1=CC=CC=C1NN=CC2=CC=C(C=C2)N3CCOCC3 1 3.784 3 1 0.412594608896987 626410 CC(C)N1C2=CC=CC=C2N=C1C(C3=C(C=CC(=C3)OC)OC)O 1 3.552 2 3 -4.71226538809372 626392 CCCC(=C1C(=O)CC(CC1=O)CC(C)SCC)N2CCCC2 1 3.563 1 2 -11.3895970661496 626360 C1COCCOC2=CC(=C(C=C2OCCOCCO1)Br)Br 1 2.719 0 5 -1.43858479092981 626332 C1=CC=C2C(=C1)N=C(O2)NC3=CC=C(C=C3)OC(F)(F)F 1 4.93 2 2 5.54189323433667 626312 CCCCNS(=O)(=O)C1=C2C=CC=NC2=C(C=C1)OC 1 2.239 2 3 -9.50175714628729 626288 CC1=CC=C(C=C1)C2N3C(OCC3(CO2)CO)C4=CC=C(C=C4)C 1 3.579 1 3 0.673538828686577 626230 CCC1=NN=C(S1)NC2=NS(=O)(=O)C3=CC=CC=C32 1 1.598 4 2 0 -10.6613098797577 626186 COC1=CC=CC(=C1OC)C(C2=NC=CN2CC3=CC=CC=C3)O 1 2.781 2 3 -8.22455698361545 626181 CC1=C2C(=O)C=C(N=C2N(N1)C3=CC=CC=C3)C(F)(F)F 1 1.97 3 1 0 -3.36768197917765 626179 COC1=CC=CC2=C1OC(=O)C(=C2)C3=NC4=CC=CC=C4O3 1 3.294 1 4 8.84090115108638 626045 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=CN=CC=C3 1 2.681 3 2 -13.6811274930358 626082 CC1C(C(C2(CC1(NC2=O)O)C#N)(C#N)C#N)C3=CC=C(C=C3)OC 1 0.483 4 3 0 -3.53493233137206 626021 CC1=NN=C(C2=CC=CC=C12)NC3=CC=C(C=C3)C(=O)NC 1 2.063 4 1 -11.8717738342028 625993 CC1(CC2=CC(=C(C=C2C(=N1)NCCC(=O)O)OC)OC)C 1 1.652 2 4 0 -9.52175221629022 625957 C1=CC=C2C(=C1)C=C(C(=NNC(=O)C3=CC=NC=C3)O2)C(=O)N 1 0.805 4 3 0 -7.7099192723991 625950 CNC1=NC(=NC(=N1)N)OC(C(F)(F)F)C(F)(F)F 1 2.125 5 1 -6.85122155031491 625903 C1CN=C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O 1 2.453 2 2 -5.0299910996454 625890 C1CCC2=NC3=C(C4=C(S3)C(CCC4)O)C(=O)N2CC1 1 2.585 2 2 -9.64768608465707 625873 CC1=C(C(C(=C(N1C)C)C(=O)OC)C2=CC=C(C=C2)Cl)C(=O)OC 1 3.072 1 4 -8.36096931754316 625858 C1=CC(=C(C=C1C2=CC=C(O2)C=NN3C=NN=C3)Cl)F 1 3.12 4 1 5.44851598925136 625855 CC1(CC2=C(CC3(O2)C(=O)CC(CC3=O)(C)C)C(=O)C1)C 1 1.776 0 4 0 -8.69069330297687 625818 CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCCCC4 1 5.261 4 0 -9.15237128580234 625794 C1OC2=C(O1)C=C(C=C2)C3=NN=C4N3C5=CC=CC=C5C=C4 1 3.35 3 2 -0.882823748551416 625773 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)O 1 4.005 1 2 -7.08133013437984e-002 625769 C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC=CC=N4)C5=CC=CC=C5 1 3.835 3 1 -26.5438898958525 625760 C1=C(C=C(C=C1OCC(F)(F)F)OCC(F)(F)F)N 1 3.065 1 2 -1.59363938948362 625740 C1=CC=C(C=C1)C(=NN)C2=C(C=CC(=C2)Br)N 1 2.798 3 0 2.28267190549607 625722 CC1=C(C2=C(N1CCCOC(C)C)C=CC(=C2)O)C(=O)C 1 2.63 1 3 -6.48744657091387 625704 CCC1=C2CSC(CC2=C3C4=C(C(=O)N=CN4)SC3=N1)(C)C 1 3.107 3 1 -11.4449125063016 625680 C1CCC2=NC3=C(C4=C(S3)C(=O)CCC4)C(=O)N2CC1 1 2.802 2 2 -14.7426133709089 625653 C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4=C(C3=O)C=C(C=C4)N 1 2.6 2 2 -0.653065793918513 625611 COC1=CC=CC2=C1C(=O)C3=C(C2=O)C4=CC=CC=C4C=C3 1 3.7 0 3 2.83661349000399 625601 CCOC(=O)C1(N=C(OC(=N1)N(C)C)C2=CC=CC=C2F)C(F)(F)F 1 3.671 3 3 -2.26804008040021e-002 625599 CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C 1 1.096 6 2 0 -12.1740888176282 625577 CC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3 1 3.533 2 1 -2.86155250260393 625572 CC1=CC(=C(C2=CC(=C(C=C2)O)C)C3=CC=CC=C3S(=O)(=O)O)C=CC1=O 1 4.26 0 5 -1.97022646060656 625522 C1=CC=C2C(=C1)C(=C(S2)C=NC3=CC=C(C=C3)O)Cl 1 5.002 1 1 14.0706588510283 625492 CCCCOC1=CC=C(C=C1)CN(C)C2=NC=NC(=N2)N 1 2.679 5 1 2.0162057570395 625473 CC1(CC2=C(C(=NC(=C2CS1)C3=CC=CO3)N4CCNCC4)C#N)C 1 2.609 4 1 -7.14012821409841 625400 CC1=CC=C(O1)C2C3=C(CCCC3=O)NC(=C2C(=O)OC4CCCCC4)C 1 3.297 1 4 -38.0982132767288 625347 CC1(CC(=O)C(=C(N)NC(=O)C2=CC=CC=C2)C(=O)C1)C 1 1.203 2 3 0 -11.6316300245718 625324 CC1CCN(CC1)C2=NC3=NON=C3N=C2N4CCC(CC4)C 1 1.99 6 1 0 -13.2370320601264 625301 COC(=O)C1=C(SC(=C1C(=O)OC)C(=O)OC)C(=O)OC 1 1.496 0 8 0 -6.0762485210207 625298 C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)C3=NC=C(C=C3)[N+](=O)[O-] 1 1.351 3 6 0 -10.5732074220339 625270 CC1=NN=C(O1)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-] 1 2.819 4 3 0 -3.74986200001793 625240 COC1=CC=C(C=C1)C2=C(C(=O)N3CCSC3=N2)C#N 1 2.049 3 2 -7.12364716489087 625239 C1=CC=C(C=C1)C2=CC(=C(C(=C2C#N)N)C#N)C3=CC=CO3 1 3.273 3 1 1.8062150076434 625232 CCOC(=O)C1=CN=C2C(=C1Cl)C=CC3=CC=CC=C32 1 3.793 1 2 -0.411998961634606 625142 C1CCC2=NN3C=C(N=C3N=C2C1)C4=CC=C(C=C4)Cl 1 3.856 4 0 2.39853933179017 625053 C1=CC=C(C=C1)C2=NNC3=C(C=C(C=C32)[N+](=O)[O-])[N+](=O)[O-] 1 3.209 4 4 0 3.34427965963966 625007 CC1=C(N2C(=NC(=N2)SCC3=CC=CC=C3)N=C1C)C 1 3.938 4 0 -7.25996236196653 624993 C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 3.059 4 4 0 4.37213080149229 624917 CC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)OC 1 1.79 3 4 0 -11.961157050784 624833 CC1(CC(=O)C(=C(C2=CC=C(C=C2)O)C(C#N)C(=O)OC)C(=O)C1)C 1 2.146 1 5 -10.6291929034062 624804 CC1=CC=CC2=C1CC(NC2=C3C(=O)CCCC3=O)(C)C 1 2.603 1 2 -9.00595748618333 624794 C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)C4=CC=CC=C4O3)O 1 2.366 0 5 0.474698378654635 624750 CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C3=CC=CC=C3 1 3.905 0 4 2.00375683138677 624746 CC1(CC(=C(C(=O)C1)C2C3=CC=CC=C3OC4=C2C(=O)CC(C4)(C)C)O)C 1 3.474 0 4 -7.3318312757029 624716 CCC1(C2=CC=CC=C2NC(O1)C3=CC=C(C=C3)OCC)CC 1 5.006 1 2 -2.06221414396316 624592 CC1=CC(=NC2=C1C(=O)N(N2)C3=CC=CC=C3)C(C)(C)C 1 4.293 3 1 -2.53168486212968 624590 CC1(CC2=C(C(=O)NC1)SC(=N2)N3CCOCC3)C 1 0.687 3 2 0 -8.69527423575055 624533 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CO3 1 1.914 3 2 0 -8.78764061099819 624519 C1COCCN1C2=C(C=C(C(=C2)C#N)C#N)OC3=CC=C(C=C3)Cl 1 3.662 3 2 0.859309253797408 624510 CC1=C(C2=C(N1C3=CC=CC=C3OC)C=CC(=C2)O)C(=O)C 1 3.532 1 3 -2.51835785340971 624478 COC1=CC=CC(=C1)C2=CN3C(=N2)N=C4CCCCC4=N3 1 3.176 4 1 2.4432687504682 624456 COC1=CC=C(C=C1)C2=CN3C(=N2)N=C4CCCCC4=N3 1 3.176 4 1 0.163574432059212 624432 C1=CC=C2C(=C1)C(=CN2CCOC3=CC=CC=C3F)C#N 1 4.045 2 1 -3.39310801742761 624350 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SC4=CC=CC=N4 1 4.029 3 1 2.66921439383186 624322 CC1(CC2=C(C(=O)NC1)SC(=N2)N3CCCCC3)C 1 1.917 3 1 0 -7.10618811303778 624265 CC(C)N(CC(COC1=CC=C(C=C1)CC(=O)N)O)CC(COC2=CC=C(C=C2)CC(=O)N)O 1 1.363 3 6 0 -5.88278018693316 624228 CC1=CC(=NC2=CC=CC=C12)NC3=CC=C(C=C3)[N+](=O)[O-] 1 3.848 3 2 7.32055672247843 624191 CCOC(=O)C1=C(C2=C(S1)N=C3CCCN3C2=O)C 1 2.058 2 3 -18.3935635787018 624110 C1CC(N(C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C(=O)O 1 2.353 1 4 -8.10143120301045 624107 CC1=C(SC=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=C4C=CC=N5 1 4.881 2 1 -14.8932799012416 624106 CC1(CC2=C(C(NC3=C2C4=C(C=C3)N=CC=C4)C5=CC=CS5)C(=O)C1)C 1 4.395 2 1 -17.8763743442339 624070 COC1=CC=C(C=C1)C2=CC(=NC(=O)N2)C3=CC=CC=C3 1 3.176 2 2 -1.6578805433806 624046 CC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=C(C=CC=C3C)C=C2 1 4.83 2 2 2.93759261935374 624025 COC1=CC=CC=C1OP(=O)(C)NC2=CC=CC=C2 1 2.357 1 3 3.14062194461299 624005 CC(C)(C)C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC 1 2.751 1 3 -13.6625549633768 623982 CC1(CC(C2=CC=CC3=C2N1C(=O)C3)(C)C4=CC=CC=C4)C 1 3.629 1 1 -5.60081309903038 623957 C1COCCOCCOCCOCCOCCN1CC(=O)N 1 -1.662 2 6 0 -6.69084461531059 623928 CCOC(=O)C1=C(N(C(=C(C1C2=CSC=C2)C(=O)OCC)C)C)C 1 2.767 1 4 -12.3595466953089 623917 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=N2 1 1.12 3 3 0 -9.09745420172625 623914 CCN(CC)CC1=C(C2=C(O1)C=CC(=C2)OC)C(=O)OCC 1 3.17 1 4 -2.74607391653525 623871 CCCCC1=C2CSC(CC2=C(C(=N1)N3CCNCC3)C#N)(C)C 1 3.128 4 0 -11.1888767583687 623858 CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 1.571 4 4 0 -6.7778829076041 623828 COC(=O)C1C(C(=C2N(C1=O)CCCS2)C#N)C3=CC=CS3 1 1.706 2 3 0 -18.1542467812167 623812 C1=CC(=CC=C1C(=O)N)N=CC2=CC=C(S2)[N+](=O)[O-] 1 2.401 3 3 4.58223296083611 623774 CCOC(=O)CN1C=NC=C1C2=CC=C(C=C2)[N+](=O)[O-] 1 1.683 3 4 0 -5.993840754385 623769 C1COCCN1CCCN2C(=O)C3=CC=CC=C3C2(CC4=CC=CC=C4)O 1 2.171 2 3 -3.65823484279559 623750 CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=C(C2=C(S1)CCCC2)C(=O)N 1 2.109 3 4 0 -16.8033796483263 623703 CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)C 1 0.707 2 4 0 -28.5484722275629 623689 C1CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC1 1 3.372 2 1 -15.7401482130611 623634 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)N(C)C)C(=O)OCC=C 1 1.844 3 3 0 -37.1990635896398 623626 C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C3N2C(=CC=C3)Cl 1 3.013 4 2 -2.4047901666133 623589 CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C 1 4.202 0 3 -12.7640150953279 623585 CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=CC=C4)C(=O)C1)C 1 3.716 0 3 -13.2163687795882 623573 CC1=NN=C(O1)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 1.134 4 4 0 -5.33894812273069 623559 C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)O 1 5.025 2 3 2.32787849049786 623497 C1=CC=C(C(=C1)CNC(=O)NCC2=CC=CC=C2Cl)Cl 1 3.865 2 1 -5.9765975400339 623416 C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)Br 1 3.265 2 0 1.71757265989492 623378 C1=CC=C(C=C1)C2=CN3C(=N2)N=CC(=N3)C4=CC=CC=C4 1 3.611 4 0 1.7994128505406 623370 C1=CC=C2C(=C1)C(=O)NN(C2=O)C3=CC=CC=C3Cl 1 2.488 2 2 -0.471328445014195 623352 CCCCOC1=CC=C(C=C1)CC2=CN=C(N=C2N)N 1 2.905 4 1 -1.78814159404037 623348 CC1CCN(CC1)C(=O)C2=CC(=C(C=C2Cl)F)F 1 3.488 1 1 -6.87328229957292 623308 COC1=CC=C(C=C1)OCC(=O)NCC2=CN=CC=C2 1 1.289 2 3 0 -11.3911332136424 623248 C1CN=C(C=C(N1)C(C(F)F)(F)F)C2=CC=CC=C2 1 2.437 2 0 -1.06571564242458 623176 C1CCC(=NCC1)NC2=NC(=CS2)C3=CC=CC=C3 1 3.322 3 0 1.70160723714354 623158 CC1=C(C(=NC(=N1)SC)NC2=CC=CC=C2)CC=C 1 3.856 3 0 -2.06271057297525 623100 CCCCCCNC1=NC(=NC(=N1)Cl)NC(C)(C)CO 1 2.8 5 1 -6.41686675136488 623089 C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)Cl)N 1 3.747 1 2 5.18161504368237 623075 CCOC(=S)SCC(=O)N1CCC2=CC=CC=C2C1C3C(=O)CC(CC3=O)(C)C 1 3.923 1 4 -16.3664910400877 623049 CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2)C(=O)OCC)C)C)C 1 3.105 1 4 -11.3846355607356 623037 CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2 1 2.725 2 4 -5.99339529159099 622951 CCOC(=O)C1C(C2C(=NNC2=O)CC1(C)O)C3=CC(=CC=C3)[N+](=O)[O-] 1 0.73 3 6 0 -18.0978341593965 622907 C1CCN(C1)C(=S)C2=CC=C(C=C2)Br 1 3.877 1 0 -2.48907857937955 622877 CC1=CC=CC(=C1)C(=O)N2C(=S)N=C3N2C=CC=C3 1 2.757 3 1 -6.79739278648359 622835 CCC1CCCCN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.659 2 4 -11.9802333727597 622831 COC1=CC=C(C=C1)N2C=C3C=CC(=CC3=N2)[N+](=O)[O-] 1 3.271 3 3 6.21516647725442 620366 C1C=CC2C1C(NC3=C2C=C(C=C3)OC(F)(F)F)C(=O)O 1 4.117 1 3 1.85599597840889 620352 CC1=CC(=O)OC2=C1C=CC3=C2C(=C(O3)C(=NO)C)C 1 3.234 1 4 2.98133577483001 620333 CC(=O)NC1=C(OC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)F 1 3.155 1 3 1.82191690818621 620319 CC1=NC2=NC(=CN2N=C1C)C3=CC(=CC=C3)OC 1 2.213 4 1 2.22353896032985 620264 CN(C(=S)C1=CC=CC=C1)N=CC2=CC=CC=C2 1 3.911 2 0 -1.3991427770528 620261 C1COCCN1C2=NC=NC3=C2NC4=CC=CC=C43 1 1.742 4 1 0 2.37654815701154 620237 C1=CC=C(C=C1)CN2C(=O)C3=C(S2(=O)=O)C=C(C=C3)[N+](=O)[O-] 1 2.043 2 5 0 0.257078544748996 620215 C1CN(CCN1C2=CC=C(C=C2)C(=O)C3=CC(=CC=C3)F)C(=O)C4=C(C=C(C=C4)F)F 1 4.894 2 2 5.40450197931119e-002 620213 C1CN(CCN1C2=CC=C(C=C2)C(=O)C3=CC(=CC=C3)F)C(=O)C4=CC=CC=C4 1 4.483 2 2 -1.21152249648613 620153 C1CN(CCN1CCOC2=CC(=CC=C2)Cl)CCOC3=CC(=CC=C3)Cl 1 4.87 2 2 4.72667596527979 620094 CCOC(=O)C1=CN=C2C(=C3C(=CN2C1=O)CCCN3)C#N 1 -0.51 4 3 0 -17.470554140706 620060 CC1=CC=C(C=C1)N2C=C3C=CC(=CC3=N2)[N+](=O)[O-] 1 3.773 3 2 6.62813268639856 619981 CC(C)CSC1=CC(=CC2=C1C(=C(S2)C(=O)OC)N)[N+](=O)[O-] 1 3.72 2 4 -7.90776980696891 619964 CCCC1=NC=C(N1C)C(C2=CC=CC3=CC=CC=C32)O 1 3.407 2 1 -1.78015330259898 619963 CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)O)C(=O)OCC)C)C 1 2.327 1 5 -16.1186934244155 619952 CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)[N+](=O)[O-])C(=O)OCC 1 2.638 2 5 0 -3.16295879458277 619926 CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)O 1 3.018 2 2 -1.89108626109946 619902 CC1=C(SC2=C1C(=O)NC(=N2)SCC=C)C 1 3.065 2 1 -13.1701401281221 619898 CCCCC1=C2CSC(CC2=C(C(=N1)Cl)C#N)(C)C 1 4.499 2 0 -5.59627695175871 619876 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2CC(=O)O 1 2.958 2 2 -2.00029429436906 619867 C1C2CC3CC1CC(C2)(C3)C4=CN5C=CC=CC5=N4 1 3.408 2 0 3.50637481740985 619865 COC1=C(C=C2C(=C1F)C3=C(N2)C(=O)NCC3)F 1 2.092 2 2 -3.74823403804193 619852 COC1=CC2=C(C=C1)OC=C2C(=O)C3=CC=CC=C3 1 3.521 0 3 2.45611299680579 619850 CC1=C(C(NC(=O)N1)C2=CSC=C2)C(=O)OC 1 0.726 2 3 0 -30.2595793971594 619848 C1CC2=CC=CC=C2N(C1)C(=O)NC3=CC=CC=C3 1 3.259 2 1 -6.96444142514745 619796 CN(CCOC1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.665 3 6 0 -6.40889082499362 619837 COC1=CC=CC(=C1)C2=NC(=NO2)C3=CC=CC=C3 1 3.128 2 2 8.01826154236951 619820 CCC1=CC=C(C=C1)C(=NNC(=O)C2=CC=CC=N2)C 1 2.884 3 1 -9.78225173870714 619729 CCN1C=C(C(=O)C2=C1C=CC(=C2)Br)C(=O)OCC 1 2.828 1 3 -1.08851359480739 619687 CN(C)C1=NC(=NC(=N1)N(COC)C#N)N(C)C 1 -8.1e-002 7 1 0 -3.61005938897107 619665 C1=CC=C2C(=C1)N=C(S2)SCC(=O)NCCOC3=CC=C(C=C3)Cl 1 4.353 2 2 -10.2187725065176 619653 C1=CC(=C(C=C1[N+](=O)[O-])Cl)C2=CC=C(O2)C=O 1 3.353 1 4 3.53278304279498 619566 CC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)N 1 3.568 1 2 3.35961635309556 619526 C1=CC2=C(C=C1Cl)NC(=O)C3=CSC=C3N2 1 2.661 2 1 -5.5693506809894 619518 C1CCC2=NN3C=C(N=C3N=C2C1)C4=CC=CC=C4 1 3.192 4 0 0.102024224888152 619471 CCN(CC)C1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C 1 1.937 5 3 0 -15.8419058418034 619419 CC1=C(SC=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=C4C=CC=N5 1 4.423 2 1 -12.0435138131968 619417 C1CC2=C(C(NC3=C2C4=C(C=C3)N=CC=C4)C5=CC=CS5)C(=O)C1 1 3.937 2 1 -15.026608256189 619385 CCCOC(=O)C1=C(OC23C1(C(=C(O2)N)C#N)C(=O)C4=CC=CC=C34)C 1 1.834 2 5 0 -11.4928128720242 619350 CSC1=NC2=C(C3=C(S2)CCCC3)C4=NN=NN41 1 2.499 5 0 -12.4395432933588 619328 C1CC(CC=C1)C2C3CC=CC3C4=C(N2)C=CC(=C4)S(=O)(=O)N 1 2.858 2 2 -3.12657181576792 619307 CCC(C)(C1=CC=C(S1)C=O)C2=CC=C(S2)C=O 1 4.727 0 2 -1.49442858653736 619301 CC1=NN2C(=C(C=NC2=C1C3=CC=CC=C3)C#N)N 1 1.575 5 0 0 -4.43809708945627 619285 CC1=NN(C(=C1C2=CC=CC=C2)N)C3=CC=CC=C3 1 3.235 3 0 1.16765871317032 619283 CC1=C(SC2=C1C(=O)N3C(=N2)CCC(=O)N3)C 1 0.672 3 2 0 -10.0377404292577 619281 CCCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)F 1 4.131 2 3 -16.1680312572114 619280 CCN(CC)C1(C(=O)NC2=C(S1)C=C(C=C2)C)C(=O)OCC 1 3.161 2 3 -5.54856932917479 619279 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC=C(C=C2)C3=CC=CC=C3 1 2.898 2 3 -5.09433778619726 619270 CC1=CC(=C(C=C1C(=O)C)F)N2CCCCCC2 1 3.797 1 1 -3.9851417552684 619250 COC1=CC2=C(C=C1)N=C(C(=C2N)C#N)C(F)(F)Cl 1 2.699 3 1 1.80248333723475 619222 C1CC2=CC=CC=C2C3=NN(CC31)C4=CC=CC=C4 1 4.146 2 0 1.1621497007999 619181 C1=CC=C(C=C1)C2=CN=C(C(=O)N2)C3=CC=CC=C3 1 2.153 2 1 -3.71206327704096 619179 CN1C2=NC3(CCCCC3)N=C2C(=O)N(C1=O)C 1 1.035 4 2 0 -5.35233175358476 619096 CCC1=C2CSC(CC2=C(C(=N1)N3CCNCC3)C#N)(C)C 1 2.216 4 0 -12.9308911920154 619081 CC(=O)C1=COC2=C1C=C(C=C2)OCC(=O)OC 1 1.564 0 5 0 -6.2718693003035 619028 C1=CC=C(C=C1)C2=CC(=NC(=O)N2)C3=CC=CC=C3 1 3.193 2 1 -2.90983685131237 619024 C1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3=CC=CC=C3 1 3.719 3 0 2.78365297317272 619021 C1=CC=C(C=C1)C2=CC(=C(N2)C3=CC=CC=C3)C=O 1 4.302 1 1 2.46262813544475 618993 C1CSC2=NC(=CN21)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.666 3 2 1.38880412884129 618937 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3 1 4.517 1 3 -8.51093111531254 618900 CCN1CC2CCCC3(C1)C2=NC4(CCCCC4)NC3=O 1 2.15 3 1 4.62524456919315 618885 C1CCC(CC1)NC(=O)OC2=C(C=C3C(=C2)OC(=O)S3)Br 1 4.915 1 4 -3.68854393873912 618848 C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Cl 1 4.187 0 1 5.10936856825034 618775 CC(C)C(=O)C1=CC2=C(C(=CC=C2)[N+](=O)[O-])OC1N3CCOCC3 1 2.775 2 5 0 -5.14539898488123 618774 CC(C)C(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1N3CCOCC3 1 2.775 2 5 0 -6.00801339333039 618771 C1COCCN1C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.477 2 4 0 -16.6078726667385 618745 C1CCN2C(=NC3=C(C2=O)C4=C(S3)CCC4)C1 1 2.46 2 1 -15.5320015117058 618706 COC1=CC(=C(C=C1C(=O)O)Br)N 1 1.445 1 3 0 -2.04174765313374 618681 C1=CC=C(C=C1)C(=NN)C2=C(C=CC(=C2)Cl)N 1 2.714 3 0 3.10229497787916 618636 CCOC(=O)C1=C(N=C2C=CC(=CC2=C1)OC)C 1 2.486 1 3 -2.41401470750252 618630 CC1(CC2=C(C(=O)C1)S(=O)C3=CC=CC=C3N2)C 1 1.584 1 2 0 -14.5919718766131 618598 C1CCN(CC1)C2=NC(=NC(=N2)C3=CC=CO3)N 1 1.715 5 1 0 3.53522822493084 618573 CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CO2 1 2.718 3 3 -0.464458850084464 618572 CC1=CC=CC2=CC3=C(C4=CC=CC=C4C3=O)N=C12 1 4.023 1 1 2.33811985353667 618564 CC1=C(C=C(C=C1)OCC(=O)N2C(CC(=N2)C3=CN=CC=C3)(C(F)(F)F)O)C 1 3.107 3 3 1.77567023167864 618563 CC1=C(C=C(C=C1)OCC(=O)N2C(CC(=N2)C3=CC=NC=C3)(C(F)(F)F)O)C 1 3.107 3 3 2.37204484228004 618556 CS(=O)(=O)N1CCN(CC1)C2=NC(=CS2)C3=CC=CC=C3 1 1.323 3 2 0 -8.49499855965913 618525 C1CCC2=C(C1)C3=C(S2)N=C4CCCN4C3=N 1 2.514 3 0 -14.8178183152398 618453 C1=CC=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)C#N)C#N)C4=CC=CC=C4 1 4.584 5 0 -0.114243217800376 618401 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=NOC(=C4)C 1 3.097 6 2 0 -21.3903645600053 618382 CCOC(=O)C1=C(SC2=C1CCCC2=O)N3C=CC=C3 1 3.509 1 3 -10.1167754230042 618372 CCOC1=CC=C(C=C1)C2=NC(=C(N2O)C(=O)C)C 1 0.162 2 3 0 -0.646880679562264 618368 CC1=CC(=O)OC2=C1C=CC3=C2C(=C(O3)C(C)O)C 1 3.093 0 4 -2.1727788598909 618348 CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)C(=O)O 1 1.19 4 2 0 -0.380448508305036 618289 CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)Cl 1 4.581 1 1 7.44563869672973 618279 C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.654 3 4 0 -0.760252736143313 618112 C1CN2CC3CN1CC(C2)(C3N)C4=CC=CC=C4 1 0.565 3 0 0 -2.05298625564199 618107 C1=CC(=CN=C1)C2C(=C(OC3=NNC(=C23)C4=CC=CS4)N)C#N 1 2.457 5 1 -9.78650768842367 618102 C1CCCC(=NN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4Cl)CC1 1 5.145 3 1 -7.90644345374876 618081 CC1=CC(=CC=C1)NC2=C3C=CC=C(C3=NC2=O)Cl 1 3.063 2 1 -0.14853505793141 617984 COC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O 1 3.506 0 2 2.10393490485759 618001 CC1=NC2=NC(=CN2N=C1C)C3=CC=C(C=C3)F 1 2.435 4 0 1.06868787653025 618042 CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)(C2=CC=CC=C2)O 1 4.461 0 2 0.342411422977263 618005 C1C2=CC=CC=C2C(=O)C3=C(S1)C(=CC=C3)O 1 3.287 0 2 1.16082947436819 617945 CCN(CC)C(=S)OC1=C(C=CC=C1Cl)Cl 1 5.249 1 1 -3.49097560192224 617877 CCC1=NC(=C(C2=CC(=C(C=C21)OC)OC)C#N)C 1 2.665 2 2 -5.95972277499765 617822 CCOC(=O)C1C(C(C(=O)C=C1C)C(=O)OCC)C2=CC=C(C=C2)OC 1 2.944 0 6 -5.36344990536553 617810 CC1=CC(=C2C(=C1)C(=C3CCCC3=N2)C(=O)O)C 1 3.682 1 2 -0.883866907716868 617776 CC1=NN(C2=C1C=C(S2)C(=O)N3CCOCC3)C4=CC=CC=C4 1 2.472 3 2 -10.897509968006 617757 CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)CCC#N 1 1.828 3 1 0 -6.59004604207679 617724 C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)O 1 3.622 1 2 -1.61986632023025 617718 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCC3=CC=CC=C32 1 3.166 2 3 -20.8392466077856 617717 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC(=C(C=C3)O)O)C4=CC=CC=C4Cl 1 4.411 2 3 -2.08874004933883 617683 CN1CCC2=C(C(=NC(=C2C1)Cl)Cl)C#N 1 2.453 3 0 -3.45162525137512 617614 CC1(CC2=NC3=CC=CC=C3C(=C2C(=O)C1)N)C 1 2.256 2 1 -4.57941420184289 617547 CCOC1=CC=C(C=C1)C=NNC2=CC=CC=C2 1 3.781 2 1 0.614937274305572 617536 C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 2.014 4 2 3.67744051730247 617535 C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)C3=CC=NC=C3 1 2.014 4 2 5.16651638726595 617506 C1=CC=C(C(=C1)C2=NC=NC3=C2C=C(C=C3)Br)Cl 1 4.747 2 0 10.4921552260479 617491 C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N 1 3.065 3 1 -7.58057446491227 617489 CC1=CC2=C(C=C1)N3CCN(C4C3=C(C2=O)CC4)CC#N 1 2.425 3 1 -0.773641784744549 617471 CC(C)N1C2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C31 1 4.149 2 2 0.764936097536449 617444 C1=CC=C(C=C1)C2=NNC3=C2C=C(C=C3)[N+](=O)[O-] 1 3.315 3 2 0.678819081304478 617439 C1=CC(=CC=C1NC2=NN=C(C=C2)Cl)Cl 1 3.201 3 0 1.20773103531354 617433 C1=CC=C(C=C1)C2=CC(=NC(=N2)N)C(F)(F)F 1 3.143 3 0 3.64065383489484 617423 CC1=NC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C 1 2.85 2 2 -2.32927432866751 617391 C1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.411 3 2 -1.21347227612143 617341 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)C(Cl)Cl 1 5.15 2 0 11.9025939095278 617324 CC1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.592 2 2 -4.40247596622934e-002 617293 CC1(CC2=C(CO1)OC3=C2C(=NC(=N3)SC)SC)C 1 3.236 2 2 -8.92000996444208 617281 CC1=C(C=C2C(=O)C3=CC=CC=C3OC2=N1)C(=O)C 1 2.375 1 3 -3.20619017047007 617227 C1C=CC2C1C(NC3=C2C=CC=C3C(F)(F)F)C(=O)O 1 2.939 1 2 0.97762877712397 617212 C1=CC2=C(C=C1Cl)C3=C(O2)C(=NC=N3)Cl 1 3.521 2 1 9.20613246263157 617210 CC1=CC=C(C=C1)C2=CN3C(=N2)N=C(C(=N3)C)C 1 2.716 4 0 0.168514256731199 617208 COC1=CC(=CC=C1)OCCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.604 1 6 0 -11.3366036199025 617203 COC1=C(C(=C(C=C1)C(=O)NCCOC2=CC=CC=C2Cl)OC)OC 1 3.285 1 5 -8.23926904469072 617202 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=CC=N3 1 1.51 2 2 0 -1.74810841029402 617173 CCOC(=O)COC1=CC2=NSN=C2C=C1 1 1.997 2 3 0 -4.91824940768547 617164 CC1=CC(=C(C=C1C)N=NC2=CC=CC=C2)NCC(C(C(CO)O)O)O 1 2.909 3 4 0 4.64153954212834 617161 CC(=O)N(CN1C(=O)CCC1=O)C2=CC(=CC=C2)Cl 1 1.035 2 3 0 -7.15034436705409 617123 C1=CC=C2C(=C1)N=NN2C3=C(C(=C(C(=C3F)F)Cl)F)F 1 4.703 3 0 1.94744513350682 617111 CCCCOC1=CC=CC=C1C2C(=C(N(C(=C2C(=O)OC)C)C)C)C(=O)OC 1 3.72 1 5 -14.0828062796838 617083 CN1C2=CC=CC=C2C(=NC(C1=O)O)C3=CC=CC=C3 1 2.386 2 2 2.00306143109495 617079 CSC1=C(C(=C(S1)C(=O)N2CCCCC2)C3=CC=CS3)C#N 1 4.131 2 1 -10.0988690066329 617057 C1CN2C(N2C1)C3=CC=C(C=C3)Br 1 1.863 2 0 0 0.274478196128277 617052 CC1=CC(=NC2=C(C(=NN12)C)C3=CC=CC=C3)C 1 2.469 3 0 -4.24716602641665 617036 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C3=CC=CC=C3 1 4.813 1 2 2.72043152674367 617017 C1=CC=C(C=C1)C2=CC3=C(C=CC(=C3)N)OC2=O 1 2.631 1 2 6.03875069288718 616999 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O 1 2.925 1 2 -4.15551692023042 616971 C1COCCN1C2=NC(=NC=C2F)N3CCOCC3 1 -0.224 4 2 0 1.94030058274757 616967 C1=CC(=CC=C1S(=O)(=O)NC2=NC=C(C=C2)Cl)Cl 1 3.034 2 2 -1.23812029657341 616931 CC1=C(C(NC(=O)N1)C2=CC=CS2)C(=O)OC(C)C 1 1.637 2 3 0 -31.6976476602984 616915 COC1=CC=CC=C1C2C(=CN(C=C2C(=O)OC)C3CC3)C(=O)OC 1 1.853 1 5 0 -10.9723947583746 616911 CCOC(=O)C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC 1 1.011 1 7 0 -9.20119858039886 616884 CC(=O)NC1=C(OC2=CC=CC=C21)C(=O)C3=CC=CC=C3 1 2.949 1 3 0.145979318199209 616871 COC(=O)C1=CC=C(C=C1)C2C(=CN(C=C2C(=O)OC)C3CC3)C(=O)OC 1 1.725 1 6 0 -11.3580348577121 616832 C1=CC2=C3C(=C1)NC(=NC3=CC=C2)C(F)(F)F 1 2.954 2 0 -2.38971176499111 616821 C1CCN(CC1)C2=NC3=C(S2)C(=O)CCC3 1 2.106 2 1 -3.72924781951869 616809 CCOC(=O)C1=C(OC2=C(C1C3=CN=CC=C3)C(=O)CCC2)N 1 1.027 2 4 0 -20.2806617778914 616746 C1=CC=C(C=C1)CN2C=NC3=CC=CC=C3C2=O 1 2.539 2 1 -2.32238184359766 616745 CC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=NC=C3 1 2.797 2 1 8.97159603051844 616673 CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)N 1 2.421 2 1 -5.91583106685065 616651 C1=CC=C(C=C1)CC2=NNC(=O)C3=CC=CC=C32 1 2.533 2 1 -11.2284493729865 616621 CC1=CC=C(C=C1)N2C(=NC(=O)C=C2C3=CC=CC=C3)C 1 3.27 2 1 -2.45757416508662 616573 C1=CC=C(C=C1)CNC2=NC=NC3=CC=CC=C32 1 2.847 3 0 2.22529542508807 616556 C1=CC=C2C(=C1)C3=C(C(=O)N2)N4C=CC=CC4=N3 1 1.9 3 1 0 -5.72234624416975 616554 CC(C)C1C(C(=C(N1C2=CC=CC=C2)N)C#N)(C#N)C#N 1 2.285 5 0 -4.57741987796248 616549 CCOC(=O)C1=C(N(C2=C(C1=O)C=C(C=C2)Cl)O)C 1 2.733 1 4 1.76802519982801 616539 CCC1=NN=C(S1)NC(=O)C2=C(C3=C(S2)N=C(C=C3COC)C)N 1 1.558 5 2 0 -14.7926900883484 616538 CN1CC(=O)NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-] 1 -5.6e-002 3 4 0 -9.71616950040739 616536 CC(=O)C1=CC(=C(C=C1)N2CCCCCC2)F 1 3.311 1 1 -1.18252133717696 616531 C1CCN(CC1)C2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-] 1 2.086 4 4 0 -3.07733865029924 616498 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C(=O)C=CC3=O)Cl)C 1 3.809 2 3 -2.14633995895753 616484 C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC(=O)C5=CC=CC=C5N4 1 4.328 4 2 -12.5496862186248 616481 CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)C)F 1 3.106 1 1 -2.59091953118589 616433 COC1=C(C=C2C(=C1)C3=C(N2)C(=O)NCC3)F 1 1.886 2 2 0 -2.01149905932227 616423 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3F)N 1 2.38 4 2 -19.1166551093276 616408 CN1C(=O)CC(C1=O)NC2=CC=C(C=C2)OC 1 0.741 2 3 0 -6.45792665523173 616398 COC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)OCC3=CC=CC=C3Cl 1 3.188 1 4 -7.37373808021446 616375 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N=C2)C 1 4.213 2 0 8.67461567425222 616308 CN1C2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3F)C(=O)N(C1=O)C 1 1.279 4 3 0 -14.7615263831289 616306 CN1C2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)F)C(=O)N(C1=O)C 1 1.279 4 3 0 -14.7786430262484 616303 CC(=CC(=O)C1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C 1 3.153 0 5 -6.73980560973011 616284 COC1=CC(=CC=C1)OCCNC(=O)NC2=CC(=C(C=C2Cl)F)F 1 3.637 2 3 -7.52664912932314 616273 CC1=NC2=CC=CC=C2C3=NC4=CC=CC=C4N13 1 3 3 0 -1.22811614142543 616271 CC(C)OC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C 1 3.582 3 3 -21.4092864765821 616267 COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCNCC3)N)OC 1 0.632 5 2 0 -1.96608411945359 616196 CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)O 1 1.115 1 3 0 -8.53442315565277 616168 COC1=CC=CC=C1OCCNC(=O)NC2=CC(=C(C=C2Cl)F)F 1 3.637 2 3 -10.0062835582162 616167 COC1=CC=C(C=C1)OCCNC(=O)NC2=CC(=C(C=C2Cl)F)F 1 3.637 2 3 -6.94248206912497 616082 CC1=CC2=C(C=C1)C3=NC4=CC=CC=C4N=C3C2 1 3.878 2 0 4.90156394218789 616038 CCOC(=O)C1=C(C2=C(C=C(C=C2O1)C)C)C 1 4.087 0 3 2.71872235254956 615939 C1CC2=C(C1)SC3=C2C(=O)N4CCCC4=N3 1 2.004 2 1 -16.0298432204529 615913 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=C(N=CN3)C(=O)NN 1 1.8 5 3 0 -8.65325747585949 615872 C1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)N4CCOCC4)N 1 1.907 3 2 0 -15.7306868143857 615806 CC1=CC(=C(C=C1)O)N=CC2=CC=C(S2)C 1 3.769 1 1 11.6683098959851 615754 COC1=CC2=CC(=C(N=C2C=C1OC)N)C(=O)NC3=CC=CC=C3 1 2.56 3 3 -4.58632040026229 615690 C1=CC=C(C=C1)N2C(=CC(=O)C(=N2)C(=O)N)O 1 1.259 3 3 0 -2.40437334941255 615629 CCCCC1CC1C(=O)NC2=NC=C3C(=N2)CC(CC3=O)(C)C 1 3.057 3 2 -14.4352882858791 615598 CC1CCCCN1C(=O)C2=CC=C(C=C2)C(=O)N3CCCCC3C 1 3.247 2 2 -8.30964356523709 615593 CC1=C(SC(=C1C(=O)C2=CC=CC=C2)NC(=O)CCl)C 1 3.305 1 2 -9.2016258892022 615579 CCCN1C2=CC=CC=C2C3=C(C1=O)NC(=O)C(O3)C 1 1.013 2 3 0 -9.04168976459972 615549 C1=CC=NC(=C1)CC(=O)C2=CC=C(C=C2)Cl 1 3.211 1 1 -1.72618387991149 615540 CC1=C(SC(=C1C(=O)C2=CC=CC=C2)N)C 1 2.905 1 1 -0.195922055534928 615484 CC1=NC2=NC(=CN2N=C1C)C3=CC=CS3 1 2.183 4 0 -3.26142567029731 615467 C1CCN(CC1)C23CCCCC2=CC4=C(O3)C=CC(=C4)[N+](=O)[O-] 1 4.308 2 3 -5.63373209164928 615403 CCOC1=C(C=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F)[N+](=O)[O-] 1 0.482 3 7 0 -13.0846266508014 615387 C1C2CN3CC(C2O)(CN1C3)C4=CC=CC=C4 1 0.837 2 1 0 -2.36379309369233 615346 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC4=C3N=CC=C4 1 2.625 2 2 -2.9439928884273 615212 CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)O)C 1 2.121 2 2 -10.076458014356 615208 C1CCN(CC1)C2=COC3=CC=CC=C3C2=O 1 2.076 1 2 0.474573690528201 615138 CCCNC1=NC(=NC(=N1)Cl)NC(C)(C)C 1 2.319 5 0 -6.25108288837017 615135 CC(C)(C)C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N 1 2.514 5 0 6.94720283412274 615122 CC1=C(C=C(C=C1)C(C)C)OCCNC(=O)C2=C(C=CC(=C2)SC)Cl 1 5.556 1 2 -2.82134438302087 615076 CC1=CC(=O)OC2=CC3=C(C=C12)C(=C(O3)C)C 1 3.281 0 3 -2.41421697579741 615066 C1C(C2=C(COC2=O)NC1=O)C3=CC=CC=C3Cl 1 1.446 1 3 0 -9.93300975368746 615038 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)O 1 1.23 1 4 0 -10.3838723594583 614998 CC(=O)C1=CC(=C(C=C1)SC2=CC=CC=N2)[N+](=O)[O-] 1 2.971 2 3 -6.06316044710086 614956 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)CCO)C 1 1.08 2 4 0 -18.7164649936622 614892 CC(C)OP(=O)(C(C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC=CC=C2)OC(C)C 1 4.082 2 5 0 -10.0301845842123 614881 CC1=CC(=O)C2=C(N1)C=C(C=C2)C(F)(F)F 1 2.669 1 1 -0.708538852065645 614867 COC1=CC=C(C=C1)NC2=CC=CC=CC2=O 1 2.352 1 2 -1.71858779674754 614848 C1=CC=C2C(=C1)C(=C(O2)C(=O)O)N3C=CC=C3 1 2.931 1 3 0.964251609916126 614841 CC1(CC2=CC=CC=C2C3=NNC(=O)C3=N1)C 1 1.773 3 1 0 -7.52381616678409 614817 CCC(=O)NC1=NC2=NC(=CC(=O)N2N1)C3=CC=CC=C3 1 1.49 5 2 0 -4.46826891974695 614739 COC1=CC=CC=C1OCCNC(=O)C2=CC=C(C=C2)Br 1 3.402 1 3 -9.72689701967579 614732 CC1(C(OC(=O)C(C1=O)(C)C)C2=C(C=CC(=C2)Br)O)C 1 3.743 0 4 1.52246388780324 614731 COP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)C(=O)O)OC 1 2.365 1 5 -9.56986092447988 614722 CC1(CC(=CC(=O)C1)NC2=CC=CC(=C2)C(F)(F)F)C 1 3.646 1 1 -8.14757592825874 614713 CC1=CC=C(S1)C=NC2=CC=CC=C2C#N 1 3.404 2 0 5.1705434386359 614669 CC(C)CN(CC(C)C)C(=O)CCCC(=O)N(CC(C)C)CC(C)C 1 4.432 2 2 -14.4149348581275 614657 C1=CC2=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])N=C1 1 2.094 2 3 1.64633781898491 614645 CC1=CC(=C(C(=O)N1CC(=O)O)[N+](=O)[O-])C 1 6.5e-002 2 5 0 -13.6363149771685 614632 CC1=NN2C=C(NC2=NC1=O)C3=CC=CC=C3 1 0.521 4 1 0 -5.55155049690999 614608 CCCC1=NC(=C2C(=C1)C3=CC=CC=C3OC2=O)NC(=O)C 1 2.865 2 3 -7.81394805698416 614604 CC(=O)C1=COC2=C1C=C(C3=CC=CC=C32)OC(=O)C 1 2.549 0 4 -2.18734419640221 614567 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC 1 3.653 1 1 1.35613014414153 614552 CC1=C(C2(C(=O)C3=CC=CC=C3C2(N1)O)O)C(=O)OCC(C)C 1 1.266 1 5 0 -13.2807262605884 614541 CN(C)C1=NC(=NC(=N1)N(CCOC2=CC=CC=C2)C#N)Cl 1 2.492 6 1 0 -2.5127382816842 614539 C1COC2=C1C=C(C=C2C(=O)NC3=CC=CC(=C3)C(F)(F)F)Br 1 4.363 1 2 3.39570739016647 614520 C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCC(=O)O 1 3.941 2 2 -7.84658308198424 614474 CC1=CC2=NC(=O)C=C(N2N1)C3=CC=CC=C3 1 1.063 3 1 0 -4.3737881399339 614455 CCOC(=O)C1=C(N(C(=C1C)C(=O)O)C)C 1 1.886 1 4 0 -5.3668829726729 614439 CCN1CCC2=C(C1)SC(=C2C(=O)N)N 1 0.447 3 1 0 -0.919834965822908 614424 COC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)N 1 2.198 1 3 5.108141351061 614407 CC1(CC(NC2=CC=CC=C2N1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC 1 4.725 2 2 -1.10847188723633 614397 C1C(CN(C1=O)CC2=CC=CS2)C(=O)O 1 0.478 1 3 0 -13.0483824543396 614385 C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)N)N 1 1.787 3 1 0 13.0193670878257 614339 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.385 2 3 -13.1988640024461 614315 CC(=O)N(C1=CC=C(C=C1)OC)C2=NC3=CC=CC=C3N2 1 2.773 3 2 -0.395772855933068 614266 CCN1C=C(C(C(=C1)C(=O)OC)C2=CC(=CC=C2)C)C(=O)OC 1 2.215 1 4 -8.85600897129195 614258 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=N2)C(=O)OC 1 0.939 2 4 0 -17.2029337003998 614255 CC1=NC2=NC(=CN2N=C1C)C3=CC=CC=C3 1 2.23 4 0 -0.117705565250197 614253 COC1=C(C=CC(=C1)SC)C(=O)NCCOC2=CC=C(C=C2)F 1 3.401 1 3 -4.27394310932897 614251 CC1=C(C=C(C=C1)OCCNC(=O)C2=C(C=C(C=C2)SC)OC)C 1 4.168 1 3 -5.31157002418157 614249 COC1=C(C=CC(=C1)SC)C(=O)NCCOC2=CC=CC=C2Cl 1 3.86 1 3 -5.12951566120464 614230 C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)Cl 1 2.891 2 3 -11.9155695915107 614228 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3)Cl 1 3.856 2 2 1.91084249751733 614207 C1=CC=C2C(=C1)C(=O)C(=CC3=CC=CO3)C2=O 1 2.631 0 3 1.09199541171564 614171 CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2Br 1 3.575 1 1 -4.06055013187112 614148 CN1C2=C(C(=O)NC1=O)N3CCSC3=N2 1 0.596 4 2 0 -4.95708225468637 614144 CC1=C(C(NC(=C1C(=O)OC)C)C2=C(C=CC3=CC=CC=C32)O)C(=O)OC 1 2.875 1 5 -9.07204515465671 614133 CC(=O)NC1(C(=O)N2CCSC2=N1)C(F)(F)F 1 0.921 3 2 0 -8.02403220896872 614132 CC(=O)N1C(SC(=N1)N)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.501 4 3 0 -11.1888533891513 614119 CC1=C(C=C(C=C1)OCC(=O)N2C(CC(=N2)C(F)(F)F)(C(C)(C)C)O)C 1 4.13 2 3 4.74916201362657 614085 COC1=C2C=CC=CC2=C(C3=CC=CC=C31)OC 1 3.614 0 2 0.655212468017232 614081 CCOC(=O)C1=C(NC(=C1CCC(=O)OC)C(=O)OC)C 1 1.766 1 6 0 -13.4522610565729 614001 C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)O 1 2.18 2 2 -4.04405491260847 614000 CN(C)C1=NC(=NC(=N1)NCOC)OCC#N 1 -4.8e-002 6 2 0 -7.41573184314575 613984 CC1=CC(=NC(=C1C(=O)N)SCC(=O)NC2=CC=C(C=C2)C(=O)C)C 1 1.907 3 3 0 -15.7928402072888 613908 C1CN(C(N1C2=CC=CC=C2)C3=CN=CC=C3)C4=CC=CC=C4 1 4.254 3 0 -5.2871303012356 613863 CCCCN(CCCC)S(=O)(=O)C1=C2C=CC=NC2=C(C=C1)OC 1 3.774 2 3 -8.32491468530847 613860 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O 1 2.274 3 5 0 -10.5309113231399 613853 CCCC(=O)C1=CC(=C(C=C1C)N2CCOCC2)F 1 3.234 1 2 -6.84263772142194 613848 CC1=CC2=C(C=C1)NC(=O)CN=C2C3=CC=CC=C3 1 2.787 2 1 -0.113603269169389 613847 CC1=C(C=C(C=C1)NC2=C3C=CC=CC3=NC2=O)C 1 3.18 2 1 -2.61777570410195 613846 CC1=C(C(=CC=C1)C)NC2=C3C=CC=CC3=NC2=O 1 3.18 2 1 -4.5149468248017 613815 CC1=CC(=CC(=C1)N2CC3=CC=CC=C3C2)C 1 4.301 1 0 1.84692505492573 613804 CC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC2=O)C 1 3.18 2 1 -4.35560090055523 613778 CC1CN=C(S1)NC2=CC=C(C=C2)OC 1 2.592 2 1 -6.69468037344877 613699 C1=CC=C(C=C1)C2=NC(=NN2)C3=CN=CC=C3 1 1.984 4 0 0 2.30149159286166 613677 CC1=CC=C(C=C1)S(=O)(=O)N2CC3CCCC2C3 1 2.743 1 2 -6.55345715443611 613657 C1=CC(=NN2C1=NN=C2C(F)(F)F)Cl 1 2.075 4 0 -3.88412747269221 613587 C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC=CC=C3F 1 2.738 2 1 -4.39725892183922 613526 CSC1=C(C(=NS1)SC)C(=O)O 1 2.219 1 2 -5.92736535903607 613506 CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)C 1 0.702 2 4 0 -30.9417802835891 613500 C1=CC=C(C=C1)C2=NNN=C2C3=CC=CC=C3 1 3.518 3 0 4.05204165853153 613466 CC1CC(=NC2=CC=CC=C2N1)C3=CC=CC=C3 1 3.527 2 0 -2.21610407875256 613445 C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)N 1 0.649 3 1 0 1.64719941599665 613437 CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)F 1 2.521 2 3 -14.8320815567865 613374 CCC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C)F 1 3.773 1 1 -4.3561933468693 613364 CC(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3 1 3.673 1 1 -0.876952030790766 613302 C1=CC=C(C=C1)OC2=NC3=CC=CC=C3C=C2 1 4.115 1 1 3.96834333658764 613279 C1=C(C(=O)NC=C1[N+](=O)[O-])Br 1 -0.129 2 3 0 -3.02734426431364 613241 CCSC1=NC(=C(C=C1C#N)C(=O)C)C 1 2.01 2 1 -10.9641425467885 613230 COC1=C(C=C(C=C1)C2=CC(=O)NN2)OC 1 0.432 2 3 0 -5.48141650649154 613215 CC1=C(C(=CC=C1)N2C(=O)CSC2=N)C 1 2.854 2 1 -2.92398217726778 613210 COC1=CC=C(C=C1)NC2CC(=O)NC2=O 1 0.535 2 3 0 -8.32935618428798 613185 CC1=CC(=O)N=C(N1)C2=CC=C(C=C2)Cl 1 2.095 2 1 -5.41550103401199 613179 C1=CC(=CC=C1C2=CSC(=N2)N)C(=O)O 1 1.657 2 2 0 3.89428862921219 613161 CCN1N=C(N=N1)NC(C2=CC=C(C=C2)F)P(=O)(OCC(C)C)OCC(C)C 1 3.777 5 3 0 -7.88429408696928 613157 CCCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Br)F 1 4.69 2 2 -5.59394888410009 613152 CCCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)F 1 3.941 2 2 -5.42043002230919 613144 CC1=C(C(=NO1)C)CC2=C(C=CC=C2Cl)Cl 1 4.015 1 1 -8.23129291835026 613092 CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)OC)N 1 1.227 2 3 0 -6.10158629159547 613010 COC1=CC2=C(C=C1)NC(=O)C=C2C(=O)O 1 0.826 1 4 0 -8.41866193653403 612983 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])N3CCCCC3 1 4.459 3 3 -10.1449327503985 612977 C1CC2=C(C(=O)C1)NC3=C2C=C(C=C3)Cl 1 3.6 1 1 0.871810686736268 612975 CCOC(=O)C1=CNC2=C(C=CC(=C2C1=O)Cl)C 1 2.528 1 3 -7.70437530189642 612933 COC1=CC=C(C=C1)C2=C(N=CN2)[N+](=O)[O-] 1 1.944 3 3 0 -8.6275224643421e-002 612918 C1=CC(=CC=C1CN2C=C(C=N2)Cl)C(=O)NN 1 1.238 4 1 0 -7.71119139613026 612915 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC=C(C=C3)OC)C(=O)C 1 2.416 2 4 -13.9880159848772 612906 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(CCO)CCO 1 3.383 1 3 6.0001398090168 612806 CCC1=NN=C(S1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)C 1 3.472 5 1 -23.8605745396278 612723 C1C2CC3CC1CC(C2)(C3)C4=CC(=O)NN4 1 1.356 2 1 0 0.111071238271452 612732 C1=CSC(=C1)C2=NNC(=C2)C(F)(F)F 1 3.407 2 0 3.46480566633174 612649 CC1CC(C(CN1C)C)(CC2=CC=CC=C2)O 1 2.339 1 1 0.673530123200763 612646 C1=CC(=CC(=C1)[N+](=O)[O-])C=NN=C(C2=NON=C2N)N 1 0.657 7 3 0 -5.89107453280137 612628 CC1=CC(=NC=N1)SC2=NC=NC(=C2[N+](=O)[O-])N 1 1.438 6 2 0 -1.45046670633305 612583 CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 3.098 3 1 -4.85734106778128 612560 C1CCC(CC1)C2=NC3=CC=CC=C3N2CCC(=O)O 1 3.668 2 2 -6.28713119032838 612552 C1=CC=C2C(=C1)N=C(C(=N2)SCC(=O)N)SCC(=O)N 1 1.163 4 2 0 -7.7212351990227 612512 CC1=CC=C(C=C1)CCC2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1 4.198 0 3 -7.8130026885511 612490 CC(=O)C1=C(N(C2=CC=CC=C2C1=O)C)O 1 1.696 1 3 0 0.8188011733775 612460 CCOC(=O)C1=CC2=C(C=C1)NC(=C2C)C 1 2.959 1 2 -1.39279119877133 612456 CC1(CC2=C(C(C(=C(O2)N)C#N)C3CCC=CC3)C(=O)C1)C 1 2.538 2 2 -14.7712154749282 612449 C1CCC(CC1)(CO)C2=CC(=NN2)C(F)(F)F 1 3.242 2 1 -2.48109602040156 612424 CCN1C(=C(SC1=S)C(=O)NC)N 1 0.993 3 1 0 -8.56287114011373 612417 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=O 1 2.688 1 4 0.393755824845765 612413 CCCCOC1=CC=C(C=C1)C2(CCCC2)C(=O)O 1 4.227 0 3 -4.96823004318726 612407 CC1=CC(=C(C(=O)N1C2=CC=C(C=C2)F)C(=O)O)C 1 2.214 1 3 -5.37131005947272 612356 CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CN=CC=C3 1 2.386 5 1 -7.34390048535797 612346 CCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)[N+](=O)[O-] 1 2.878 3 3 2.7058245460047 612337 CCN(CC)C1=CC(=C(C=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)O 1 4.619 3 2 -7.78601715955047 612269 COC1=CC=C(C=C1)C2=CC(=CC(=C2)O)O 1 2.848 0 3 6.62700642187115 612274 CC1=CC(=NN1C2=CC=CC(=C2)C(=O)O)C 1 2.114 2 2 -4.45608850560647 612304 COP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)Cl)OC 1 3.4 1 3 -4.87530827554671 612279 C1=CC(=CC=C1C2=CC=C(O2)C=O)C(=O)O 1 2.424 0 4 -0.137961160154415 612236 CCCSC1=C(C(=NS1)SCCC)C#N 1 4.213 2 0 -8.70166137872969 612228 CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)N 1 1.284 2 2 0 -1.26307406693111e-002 612226 COC(=O)C1=C(C(=NC2=C1CCCC2)N)C#N 1 1.726 3 2 0 -9.53052342221879 612216 C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=O 1 2.424 0 4 0.750872300444458 612176 C1=CC(=CC(=C1)[N+](=O)[O-])N2C=CC=C2C=O 1 2.651 2 3 1.25417404214467 612174 CCN1C2=C(N=C(S2)C)SC1=S 1 3.352 2 0 -2.35825597228061 612147 CC1(CC(=CC(N1)(C)C)C2=CC=C(C=C2)O)C 1 2.793 1 1 -2.31245540936324 612113 CC1(CC2=C(C=C3C(=N2)CC(CC3=O)(C)C)C(=O)C1)C 1 2.652 1 2 -7.53925616319677 612016 CC1=NC2=C(O1)CCC3=CC=CC=C3C2O 1 1.788 1 2 0 -2.74202417941299 612005 C1=CC=C(C=C1)NC2=C(C=NC=C2)[N+](=O)[O-] 1 2.123 3 2 -0.5020016957144 611958 C1CCN(CC1)C(=O)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 3.583 1 2 -8.20365897248771 611858 C1=CC=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3N=C2C4=CN=CS4 1 3.187 4 1 -15.2257837746846 611836 CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O 1 2.745 0 4 -0.90439227804858 611792 C1=CC=C2C(=C1)NC(=O)C(=N2)C(F)(F)F 1 1.921 2 1 0 -6.70443044242421 611765 COC(=O)C(C1=CNC2=CC=CC=C21)(C(F)(F)F)O 1 2.331 1 3 -3.49664998869464 611718 CC(=O)OC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O 1 2.745 0 4 2.19556159922821 611711 CCCCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C 1 2.104 4 2 -15.0542673188874 611709 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.6 3 4 0 -4.50901466248612 611672 CC(=C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3 1 3.05 0 3 -5.7209199311543 611570 C1=CC(=CN=C1)C(=O)NN=CC2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-] 1 2.594 5 3 0 -6.92686699750606 611392 C1COC2(O1)CC(=C(C(=NO)C2)N=O)NO 1 -0.643 3 5 0 -4.62975826593884 611390 CCOC(=O)C1=CN=C2NC3=CC=CC=C3N2C1=O 1 0.942 3 3 0 -10.8716014347365 611354 CC1(CC(=CC(=O)C1)NCC2=CC(=CC=C2)C(F)(F)F)C 1 3.375 1 1 -10.3273262613278 611342 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3F)OC1=O 1 2.239 2 4 -3.12134882015873 611341 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)[N+](=O)[O-])OC1=O 1 1.928 3 6 0 -3.75548596872104 611339 CC1=NC2=CC=CC=C2C3=C1C(=O)NC3=O 1 1.125 2 2 0 -2.31497512602991 611317 CC1=CC(=C(C=C1)NC2=NC(=CC(=N2)C)C)Br 1 3.284 3 0 -0.845491574983939 611278 CC(C)(C)NC(=O)CN1C=NC(=N1)[N+](=O)[O-] 1 0.202 5 3 0 -14.9681570423341 611242 CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N 1 2.579 1 4 -4.81964046030817 611239 CCOC(=O)C1=C(N=C(N=C1N)C2=CC=CC=C2)C 1 1.95 3 2 0 1.68700337073365 611235 CC(=O)NC1=NC2=C(S1)C(=O)NCC(C2)(C)C 1 0.578 3 2 0 -11.7574024229009 611222 CC(C)(C)C1=CC(=NN1C2=CC=CC=C2)C(=O)O 1 3.806 2 2 -2.65781172274212 611221 CCOC(=O)C1=C(C(=C(S1)N)C(=O)N)C 1 0.853 2 3 0 -3.52456709524618 611216 CC1=NN(C2=CC=CC3=C(C=CC1=C32)OC)C 1 2.697 2 1 1.32677295222414 611167 CC1=C(N=CC=C1)NS(=O)(=O)C2=C(C=C(C=C2C)C)C 1 3.651 2 2 -1.06894370343363 611144 COC1=C(C=C(C(=C1)C(=O)OC)N)OC 1 0.905 1 4 0 -6.71805159084969 611101 C1CN(CCN1CCN)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4 1 0.21 6 2 0 -8.40500533396996 611089 CN1C(=NN=C1SC)C2=CC=CS2 1 2.361 3 0 -3.75844792529936 611086 C1=CC(=CC(=C1)N)C2=NC3=C(O2)C=CC=N3 1 1.579 3 1 0 8.86919044814207 611070 C1=CC=NC(=C1)C2=NC3=C(O2)C=CC(=C3)N 1 1.811 3 1 0 9.84420835407619 611038 CN1CCC2=C(C1)SC(=C2C(=O)N)N 1 9.8e-002 3 1 0 -0.743559682770499 611015 CCOC(=O)C1=C(N2C3=CC=CC=C3C(=O)C2=C1)N 1 2.153 2 3 -5.86299593234421 610995 COC1=C(C2=NC3=CC=CC=C3N=C2C=C1)N 1 2.296 3 1 0.824325702404991 610962 CN1C=C(C(C(=C1)C(=O)OC)C2=CC=CC=C2Cl)C(=O)OC 1 2.044 1 4 -9.56766662929429 610950 CC1=NN2C(=CC=NC2=C1)C3=CC=CC=N3 1 1.61 4 0 0 -1.98042974897393 610864 C1=CC=C2C(=C1)C=CC=C2C3=CC(=O)NN3 1 1.373 2 1 0 0.459637611398272 610852 C1=CC2=C(C=C1Cl)C(=C(O2)C(=O)N)N 1 1.345 2 2 0 6.95106068000729 610851 CC1CN=C(S1)NC2=CC=C(C=C2)F 1 2.813 2 0 -5.56983713883938 610804 CC(C)C1=CC=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3 1 3.38 2 3 -15.7692650051005 610685 CCCCOC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3 1 4.398 0 3 -5.36449100212636 610682 C1CN=C(N1)CC2=CC3=CC=CC=C3C=C2 1 2.06 2 0 -3.82422605217243 610582 C1CN2C(N2C1)C3=CC4=CC=CC=C4C=C3 1 2.023 2 0 1.89731627936236 610572 CC1=CC(=C(C=C1[N+](=O)[O-])F)N2CCN(CC2)C(=O)C3=CC=CS3 1 3.412 3 3 -12.2703984355964 610564 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=N2 1 3.415 3 1 -16.7139311381862 610514 CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)N 1 2.151 3 0 -2.60417139628274 610505 COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=CC=CC=C32)[N+](=O)[O-] 1 2.645 2 5 0 -15.1979299992505 610479 CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O 1 4.16 1 2 2.63958267703539 610469 CC1=CC=C(C=C1)C2=NN=C3N2C(=CC=C3)Cl 1 3.605 3 0 1.24752373444706 610466 CC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C 1 4.101 1 3 -0.871053939267177 610464 CCN1CCN2C1=NC(=NC2=O)N(CC)CC 1 1.343 5 1 0 -8.75430603940116 610440 C1=CC2=C(C=CN=C2C(=C1)[N+](=O)[O-])Cl 1 2.575 2 2 -0.704649534891595 610352 CCOC(=O)C1=C(NC(=O)C(=C1)C(=O)NN)C 1 -1.176 3 4 0 -10.0792978425438 610348 CCC(=O)C1=CC(=C(C=C1)N2CCOCC2)F 1 2.292 1 2 -4.53688127557314 610297 C1=CC(=CC=C1C2=NC(=CS2)CCl)Cl 1 3.69 1 0 5.89083278392628 610284 C1=CN=C(N=C1)OC2=C(C=C(C=C2)F)F 1 2.543 2 1 1.37962103101362 610241 CCC1CCC2=C(C1)SC(=C2C(=O)OCC)N 1 3.165 1 2 -6.44497322635926 610237 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2F)C)O 1 0.917 1 3 0 -14.3678586249067 610210 COC1=C(C(=C2C(=C1)CCC2=O)OC)OC 1 1.846 0 4 0 -6.10111822526347 610174 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=C(C=C4)Cl 1 5.327 2 2 1.00914406051404 610166 C1=CC=C(C=C1)CC(C(=O)O)NC2=C3C=CC=CC3=NC4=CC=CC=C42 1 4.683 2 2 -1.38824970391325 610139 CCOC(=O)C1=CC(=CC(=C1)CO)C(=O)OCC 1 1.633 0 5 0 -6.04074010773684 610099 CCN(CC)C(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-] 1 2.814 2 5 0 -4.97557545349369 610088 CNC(=O)CC12CC3CC(C1)CC(C3)C2 1 1.964 1 1 0 -7.23736961112964 610081 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC3=C4C=CC=CC4=NC5=CC=CC=C53 1 4.976 3 2 -3.00889442757665 610015 CC1=CC(=NC(=N1)SCC(=O)NC2=NOC(=C2)C)C(F)(F)F 1 2.542 4 2 -19.034240455545 609995 CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)F 1 3.485 2 2 -4.95374449833157 609966 CCCC(=O)C1=CC(=C(C=C1)N2CCCCC2)F 1 3.977 1 1 -3.41448067683799 609956 CCC(=O)C1=CC(=C(C=C1)N2CCCCC2)F 1 3.521 1 1 -2.94779515286037 609935 C1=CC=C(C=C1)C(CN)C2=CNC3=CC=CC=C32 1 2.902 2 0 -1.95331199472788 609897 C1=CC(=CC=C1S(=O)(=O)CCSC2=NC=C(C=C2)C(F)(F)F)Cl 1 4.541 1 2 -4.63211509286252 609890 CC1=C(OC2=C1C=CC(=C2)OC)C(=O)O 1 2.524 0 4 -1.28198715548589 609869 CCOC1=C(C=C2C(NCCC2=C1)C3=CC(=CC=C3)[N+](=O)[O-])OC 1 3.265 2 4 -17.9907093558184 609867 C1=CC=C(C=C1)C2=CN=NC3=CC=CC=C32 1 3.067 2 0 4.73002506019162 609829 CN(C)C1=CC=C(C=C1)C2C(S(=O)(=O)CS(=O)(=O)C2C(=O)OC)C(=O)OC 1 0.568 1 8 0 -7.11094652468436 609749 CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F)F 1 3.691 2 2 -3.66895804166758 609748 CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3F)F 1 3.691 2 2 -5.90766822188705 609746 CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3)F 1 3.439 2 2 -9.77716258013148 609668 CC(CN1CCN(CC1)C2=CC=CC=C2OC)N(C3=CC=CC=N3)C(=O)C4CCCCC4 1 4.8 4 2 -3.37216704871732 609651 CC1=CC2=C(C=C1)N=CN=C2C3=CC=CC=C3 1 3.821 2 0 9.44162418489862 609646 C1=CC=C(C=C1)C=NNC2=NN=C(C3=CC=CC=C32)Cl 1 3.514 4 0 -2.16560058820264 609629 CC1=CC(=CC=C1)NC2=NC(=O)CS2 1 2.368 2 1 -5.00177188084799 609555 CC(C)(C)NC(=O)CN1C2=CC=CC=C2N(C1=O)CC(=O)NC(C)(C)C 1 1.086 4 3 0 -13.2713057247353 609536 COC1=C(C=CC(=C1)S(=O)(=O)NC2=CN=CC=C2)Cl 1 1.815 2 3 0 -6.05714747537013 609516 CCCOC1=CC=C(C=C1)C2=C(N=CN2)[N+](=O)[O-] 1 2.816 3 3 -0.397509592338224 609514 CC1(COC2(C3=CC=CC=C3NC2=O)OC1)C 1 1.433 1 3 0 -8.66654055136569 609412 C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)NCC(=O)N 1 2.209 3 2 -5.46244585270053 609394 CCOC(=O)CNC(=O)C1CCCC2=C1NC3=C2C=C(C=C3)Cl 1 3.411 2 3 -8.94528924931966 609363 C1CSC2=NC3=CC=CC=C3C(=O)N21 1 2.055 2 1 -10.5900452528453 609340 CC1=C(SC2=C1C3=NC=NN3C=N2)C 1 1.69 4 0 0 -5.60573912171947 609315 CC1=CC(=O)OC2=CC3=C(C=C12)OCO3 1 2.114 0 4 -2.35394236780179 609295 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)Cl 1 2.856 2 1 7.69400087365124 609289 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCOC2=CC=CC=C2F 1 4.276 1 2 -3.88507647157013 609287 CC1=CC=CC=C1OCC(CN2C(=O)C3=CC=CC=C3C2=O)O 1 2.47 1 4 -5.53864924137556 609250 C1=CC=C(C=C1)C#CCN2C3=CC=CC=C3N=N2 1 3.814 3 0 -0.955403652224544 609233 CC1=CN=C(C=C1)NC(C(=O)OC)(C(F)(F)F)NC(=O)C 1 1.339 3 3 0 -11.2545239469667 609231 CCCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NC=CC(=C1)C 1 3.267 3 3 -12.3369807949963 609212 COC(=O)C1=C(N=C(S1)SC)N 1 1.308 2 2 0 -5.56588945189011 609181 CC1(CC1(Br)Br)C(=O)NC2=NC3=CC=CC=C3S2 1 3.411 2 1 -0.47591028613818 609180 CC1=CN=NC2=C1C3=NO[N+](=C3CC2)[O-] 1 -1.626 4 2 0 -0.853381980885724 609104 CC1=NC2=C(N1CCO)C=CC(=C2)C(=O)OC 1 1.128 2 3 0 -5.05680850001247 609065 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=NNC(=O)CC#N 1 2.895 3 1 -7.92370173610243 608999 CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])N=C1C 1 1.753 3 2 0 -1.34215325371433 608996 CC(=O)C1=CN=C(S1)C2=CC=CC=C2 1 2.241 1 1 2.88861631297823 608986 CC1=NC2=CC=CC=C2C(=N1)SCCOC3=CC=C(C=C3)OC 1 4.04 2 2 -2.2970750360513 608970 C=CCSC1=NC(=O)C2=CC=CC=C2N1 1 2.647 2 1 -10.1534262134995 608956 CCCOC1=CC=C(C=C1)C2(CCCC2)C(=O)O 1 3.77 0 3 -3.77664020525593 608954 C1CN2CCC1C(=O)C2CC3=CC=CC=C3O 1 2.006 1 2 1.69949308365331 608928 CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=O 1 0.963 3 2 0 -4.30181278839813 608927 C1=CC=C(C=C1)N2N=C(C(=N2)N)C(=O)N 1 0.629 5 1 0 -3.1882536386144 608882 CCCCCC=NNC(=O)C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])C 1 3.912 4 3 0 -3.66948121670717 608806 CCOC(=O)CC(=O)CSC1=NC=CC(=N1)C2=CN=CC=C2 1 1.877 3 3 0 -9.6508314929034 608764 C1CC2=C(C(=O)C1)C3=C(O2)C=CC(=C3)O 1 2.282 0 3 -3.44232748388702 608763 CC(=O)OC1=CC2=C(C=C1)OC3=C2C(=O)CCC3 1 2.292 0 4 -8.70872547534484 608743 CCC(C)N1C(C(SC1=S)(C)C)N(C(=O)NC2CCCCC2)O 1 5.114 3 2 -7.6814348037894 608706 COC1=CN=C(NC1=O)C2=CC=CC=C2 1 0.605 2 2 0 -2.17208590892852 608704 CSC1=NC=C(C=N1)C2=CC=CC=C2 1 2.632 2 0 4.41315492683565 608691 CC1=NN(C(=C1N=O)N)C2=CC=CC=C2 1 1.963 4 1 0 0.424203293214243 608690 COC(=O)C1=C(ON=C1C2=CC=CC=C2)C(=O)OC 1 2.233 1 5 -3.41577508723264 608658 CC(=O)ONC(=NC1=CC=CC=C1)C2=NON=C2N 1 0.53 5 3 0 -6.03925910680236 608636 CS(=O)(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3 1 1.055 2 4 0 -22.6420054735447 608628 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC=CC=N3 1 1.493 4 3 0 -2.78627963916403 608610 C1=CC=C(C=C1)P(=O)(COCCOCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 1 6.323 0 4 -4.80025689123147 608571 C1COCCN1C(=O)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 2.354 1 3 -9.7719554222633 608570 C1=CC=C(C=C1)P(=O)(CC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4 1 4.662 2 2 -4.21437854467704 608544 C1=CC(=NC=C1Br)C(=O)O 1 1.486 1 2 0 -5.27816987096979 608542 CC1=C(C(=O)C2=C(N1)C=CC(=C2)OC)CN3CCCCC3 1 2.661 2 2 -4.42143379443531 608533 CC(C)C1=CC=C(C=C1)C2N3N2CCC3 1 2.309 2 0 0.192598947294533 608529 C1=CC=C(C=C1)C(O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 4.644 0 2 -5.04698016513444 608484 COC1=CC2=NC3=C(CCO3)C=C2C=C1 1 2.597 1 2 1.65751277362579 608412 C1=CC=C(C=C1)P(=O)(CC2=CC=[N+](C=C2)[O-])C3=CC=CC=C3 1 2.989 1 2 -6.44251668367503 608398 CCN(CC)CC1=C(NC2=C(C1=O)C=C(C=C2)OC)C 1 2.441 2 2 -5.82271882119228 608382 CC(=O)NC1=C(OC2=CC=CC=C21)C(=O)C3CC3 1 2.043 1 3 -2.04566655508726 608339 COC1=CC=C(C=C1)N2C=C(C(=O)NC2=O)C#N 1 0.593 3 3 0 -8.792562341665 608338 CC12CN3CC(C1=O)(CN(C2)C3)C4=CC=CC=C4 1 1.531 2 1 0 -6.32801362845505 608335 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)N 1 2.409 3 0 -1.68785607573245 608301 CCCC1=NC2=C(O1)C3=CC=CC=C3NC2=O 1 2.304 2 2 -3.12877537523423 608293 CC1(CCC2=C(O1)C3=CC=CC=C3N(C2=O)C)C 1 2.219 1 2 -2.71263538771739 608275 CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)NN 1 0.792 3 2 0 -0.898349658241236 608273 CC1=COC2=C1C=C3C=CC(=O)OC3=C2 1 2.689 0 3 -2.91095315287409 608257 CC(C)(C=O)C1=CC(=O)C2=CC=CC=C2C1=O 1 2.284 0 3 1.56295617632501 608255 C1=CC=C(C=C1)C2=CN=C(N=C2)C(=O)O 1 1.301 2 2 0 0.651500279784241 608203 CC1=CC(=NC(=N1)N)NC2=CC=CC=C2 1 1.56 4 0 0 2.74690137458168 608195 C1CC2C3=C(C1)C4=C(N3CCN2)C=CC(=C4)O 1 2.644 2 1 7.03494621941582 608159 CCOC(=O)CC1=C(N2C(=C(C(=N2)C)C#N)N=C1C)C 1 1.068 4 2 0 -14.7209593597297 608147 C1CC(=C(C(=O)C1)C2C3=CC=CC=C3OC4=C2C(=O)CCC4)O 1 2.558 0 4 -7.51324401848181 608139 CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=O 1 2.998 0 4 -2.59504035197141 608124 CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)C(=O)O 1 1.476 2 4 0 -6.46918438602654 608089 CC1=NC2=C(C(=N1)Cl)OCC(=O)N2 1 0.209 3 2 0 -1.84669926176752 608033 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC)C3=CC=CC=N3 1 3.958 2 3 -4.85012765344251 607984 CC1=CC2=C(C=C1)NC3=C2CCCC3=O 1 3.422 1 1 -0.441022184509718 607981 CCOC(=O)C1=CNC2=C(C=C(C=C2C1=O)C)C 1 2.35 1 3 -4.07753941946578 607943 CC1=NC2=CC=CC=C2C3=NC(=NN13)N 1 1.064 5 0 0 1.187213499106 607941 C1CCC(CC1)N2C(=O)C3=CC=CC=C3C2(C4=NC=CN4)O 1 2.372 3 2 -2.28732037181161 607923 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C 1 2.224 2 1 -3.71041882589336 607883 C1=CC=C2C(=C1)C3=C(C(=O)N2)N=C(O3)CCl 1 1.713 2 2 0 -1.96891338909536 607870 CCOC(=O)CNC(=O)C1=CC2=C(C=C1)NC3=C2CCCC3 1 2.77 2 3 -7.25046126897103 607843 C1CCCC2=C(CC1)C(=O)C3=CC=CC=C3N2 1 3.693 1 1 -11.7348864305534 607825 CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)O)Br 1 1.966 1 3 0 -7.75916408588053 607792 CCCCC1=C(N=C(NC1=O)SCC(=O)O)O 1 2.19 2 4 -17.6381914246241 607728 CN(C)C1=NC(=O)N2CCSC2=N1 1 1.296 4 1 0 -7.40392712021681 607702 COC(=O)CCCCC1C2C(CS1)NC(=O)N2 1 0.895 2 3 0 -18.7462559188847 607667 CC1=C(C=CC(=C1)Cl)OCCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 2.644 2 4 -4.7626575451368 607657 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=NN2CCCCCC2 1 2.282 4 3 0 -5.45069813394178 607627 CC1=CC2=C(C=C1)N3CCN(C4C3=C(C2=O)CC4)C(=O)C 1 1.954 2 2 0 -2.82302779782525 607541 C1CNC2=CC3=CC=CC=C3C=C2C1=O 1 2.221 1 1 -2.76058448715477 607443 CN1CCN(CC1)CC2=C(C3=CC=CC=C3N2C)C#N 1 2.317 4 0 0.917782992566408 607402 CC(=O)NC1=NON=C1C2=NC3=CC=CC=C3N2CCC#N 1 1.347 6 2 0 -7.17970491987229 607388 C1COCCN1C2=NN3C(=NN=C3C(C(C(F)(F)F)(F)F)(F)F)C=C2 1 1.954 5 1 0 -5.30355726057502 607376 COC(=O)C1=CNC=C(C1C2=CC=CC3=CC=CC=C32)C(=O)OC 1 1.752 1 4 0 -7.07297336818582 607320 COC(=O)C1=CC=C(C=C1)C2C(=CNC=C2C(=O)OC)C(=O)OC 1 0.7 1 6 0 -10.7278898050378 607301 CN1C(=CC(=O)N(C1=O)C)NC(=O)COC2=CC=CC=C2 1 0.701 3 4 0 -12.675651436014 607286 CCOC(=O)C1=C(OC(=C1)C(C)(C)C)CN 1 2.013 1 3 -6.87355139425272 607208 C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])N 1 0.763 2 4 0 -4.02410037517627 607189 CC1CC2(C(CN1C)C)C(=O)NC(=O)N2 1 -0.154 3 2 0 -7.14266904046385 607170 CC(=O)NC1=CC2=C(C=C1[N+](=O)[O-])OCCO2 1 0.63 2 5 0 -8.46768454473806 607142 COC(=O)CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)OC 1 0.721 2 8 0 -13.6983252671747 607139 CC1CC2=CC=CC=C2N1C(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.223 1 4 -11.1030720037943 607133 CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCC=C 1 2.198 2 5 0 -34.0357929847477 607111 C1=CC=C(C=C1)C(=NNC(=O)CCl)C2=CC=CC=C2 1 3.196 2 1 -7.22207063814721 607087 CCC(C)NC(=O)C1=C(C(=C(C(=C1F)F)F)F)F 1 3.315 1 1 -10.5792772581658 607082 CC(=O)NC1=CC2=NC3=CC=CC=C3N=C2C=C1 1 2.179 3 1 -2.23887596743929 607074 COC(=O)C1=CC=CC=C1NC2=CC=CC=C2 1 3.235 1 2 -4.08258266861543 607001 C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3 1 4.491 1 3 -10.5224934768893 606971 CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)C=O 1 1.592 3 2 0 -6.15160280815885 606904 COC1=CC=C(C=C1)C=NN2C3=CC=CC=C3N=N2 1 3.269 4 1 -0.935667679745384 606916 CC1=CC(=NC(=C1C(=O)N)SCC(=O)C2=CC=C(C=C2)Cl)C 1 3.451 2 2 -4.98174007058833 606840 C1CCCC(CC1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 4.38 1 1 -6.60673867813256 606837 C1COCCN1C2=NC(=NC(=N2)CSCC3=CC=CC=C3)N 1 1.491 5 1 0 -5.05844759155045 606832 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3Cl 1 5.382 1 5 -10.090640356649 606801 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC=CS2 1 1.562 2 4 0 -10.0160194039147 606795 C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=NC=CS3)Cl 1 3.429 2 1 -0.408095290992533 606794 CN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.06 4 4 0 -9.12927864353668 606787 CC1=CC(=NO1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 2.78 2 2 -13.9747254919055 606772 CC(C)CNC(=O)C1=C(C(=C(C(=C1F)F)F)F)F 1 3.257 1 1 -8.12961273091877 606740 CCOC(=O)CNC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C32 1 2.587 2 3 -6.45456890284458 606732 C1=CC2=C(C=C1Cl)C(=C(O2)C(=O)CCC(=O)O)N 1 1.927 1 4 0 2.55498304900338 606676 CC1=CC=CC2=NC3=CC=CC=C3N=C12 1 3.545 2 0 1.80638390451953 606670 C1=CC=C(C=C1)C2=NC=C3N2C=CC=C3 1 2.517 2 0 3.64394799937123 606669 C1=CC=C(C=C1)N2C=NC3=CC=CC=C32 1 3.127 2 0 2.02153555808171 606613 CCSC1=CC(=NC2=NC=NN12)C 1 1.952 4 0 0 -9.45321680030872 606590 C1=CC(=CC=C1C2=CC(=O)NN2)Cl 1 1.129 2 1 0 0.534840342068487 606565 COC1=CC=CC=C1N2CCSC2C(=O)N 1 1.68 2 2 0 -6.65457153766528 606555 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2O 1 1.144 2 1 0 4.08969905063107 606540 CN1C(=CC(=N1)C(F)(F)F)C(=O)O 1 1.771 2 2 0 -1.92655820596643 606523 CC1=NC(=CC(=N1)NN=CC2=CC=C(C=C2)Br)N3CCOCC3 1 2.665 5 1 -0.793567183881467 606519 CCOC(=O)NCC1=CC2=C(C=C1)OCO2 1 1.717 1 4 0 -8.08440934706416 606505 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CCl 1 3.866 1 1 -3.50404927728397 606493 CCCCOC1=CC=C(C=C1)C=NNC2=NC(=NC(=C2)N3CCOCC3)C 1 3.228 5 2 0 -3.07469654413711 606455 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N 1 1.266 3 2 0 -4.24439460559879 606422 CC(=O)C1=CC=C(S1)C2=CC=CS2 1 3.286 0 1 -6.49221137238593 606322 CC1=CC(=O)NC2=C1C=C(C=C2)Cl 1 2.363 1 1 -3.4695281161071 606276 CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CNC3=O)C)C 1 3.071 3 2 -13.7637091540749 606167 CN1C2=C(C(=O)N(C1=O)C)N3CC(=NN(C3=N2)C)C4=CC(=CC=C4)OC 1 1.279 6 3 0 -5.37939571169229 606153 COC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)[N+](=O)[O-])OC 1 2.916 2 4 -14.7869004843958 606142 COC1=C(C=C2C(NCCC2=C1)C3=CC=CC=C3O)OC 1 2.779 1 3 -7.90183544873289 606126 CCCC(=O)C1=CC(=C(C=C1)N2CCCC2)F 1 3.521 1 1 -3.06001216266991 606114 CCCC1=C2C=CC=CC2=NC3=CC=CC=C31 1 4.751 1 0 3.70930589510896 606113 CCC(=O)C1=CC(=C(C=C1)N2CCCC2)F 1 3.065 1 1 -2.59332663869229 606093 COC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)Br)OC 1 3.77 1 2 -11.9157136886394 606080 C1CN(CCN1CCO)CC2=CC(=C3C=CC=NC3=C2O)Cl 1 1.93 3 2 0 6.98371505749824 606050 CCOC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=CC3=NSN=C32)OCC 1 3.438 3 4 0 -10.6390664718985 606039 CC(CCC1=C(C=C(C=C1)OC)OC)NC(=O)CCC2=CC=CC=C2 1 4.234 1 3 -15.9260210340153 606016 C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(N2)C=CC=N3 1 2.438 4 1 -12.4136271519348 606012 COC1=C2CCC(=O)C2=C(C=C1)OC 1 1.862 0 3 0 -6.62666971722072 606000 CC1=C(C(=NC(=C1C#N)Cl)N)C#N 1 1.589 4 0 0 -2.2193783510549 605900 CC(C1COC2=CC=CC=C2O1)NCC3COC4=CC=CC=C4O3 1 3.087 1 4 -4.18393163522643 605896 CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)F)F 1 2.859 2 3 -3.89852773648789 605838 CSC1=NC2=CC=CC=C2N1C(=O)OC3=CC=CC=C3 1 4.638 2 2 -1.25326502195772 605837 CC1=CC=CC=C1C2C(=C(NC(=C2C#N)SC)N)C#N 1 2.381 4 0 -10.2304030210318 605816 CCOC(=O)C1=CC(=C(NC1=O)SCC(=O)OC)C#N 1 0.609 2 5 0 -18.7394538623811 605807 CC1=CC=C(C2=NSN=C12)NC(=O)OC 1 2.207 3 2 -4.87241494152707 605770 CC1=CC(=NC2=C1C=CC(=C2)Cl)C 1 3.449 1 0 7.38047263820571 605729 CC1(C2=C(C=CC(=C2)OC)N(C1=O)C)CCN 1 0.829 2 2 0 0.682174146048518 605715 CC1=C(C=NN1C)C=NNC(=O)C2=CC=C(O2)Br 1 1.441 4 2 0 -5.57401137315704 605699 CCC(=O)NC1=C(C=CC(=C1)C(C)(C)C)C(=O)C 1 2.757 1 2 -4.88707921219764 605693 CC(C)OP(=O)(CCP(=O)(OC(C)C)OC(C)C)OC(C)C 1 1.714 0 6 0 -3.65516730381144 605672 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC=CC=C2F 1 1.585 2 3 0 -10.2935642672304 605625 C1CCN(C1)C(=S)C2=CC=CC=C2 1 3.128 1 0 -3.65006509237428 605582 CC1=CC=C(C=C1)C2=NN=C(S2)N 1 1.968 3 0 0 2.08497638491777 605569 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.765 2 3 -12.4183069685891 605552 CC1=NC(=C2C(=N1)OC(=N2)C)NC(CC(C)C)C(=O)O 1 1.537 4 3 0 -13.5437831904603 605535 CC1=C(C(=O)NC(C1)(C)C)C2=CC(=C(C=C2)OC)OC 1 2.536 1 3 -4.95910123173184 605487 CC1=C(N=C(C(=C1C(=O)OC)C#N)N)C 1 0.974 3 2 0 -8.62467395637929 605481 CC1=CC=C(C=C1)S(=O)(=O)CCN2CCC(CC2)(C3=CC=CC=C3)O 1 2.853 1 3 -2.324680688747 605448 CC1=NC2=CC=C3C(=NSN3)C2=N1 1 0.254 4 0 0 -3.00973474601379 605332 C1=CC2=CC(=CC(=C2N=C1)O)[N+](=O)[O-] 1 1.668 2 3 0 2.08357043259113 605297 C1CCN(CC1)C2=C(C=CC=N2)[N+](=O)[O-] 1 2.192 3 2 -2.32933631657238 605295 CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=CC=CC=N1 1 1.325 3 3 0 -8.76613616029938 605292 COC1=NN=C(C2=CC=CC=C21)OC 1 2.165 2 2 -1.2839232127164 605283 COC1=CC=CC=C1C2=NC(=NN2)N 1 1.273 4 1 0 0.242875482856083 605269 C1CCC(CC1)(C#CCN2CCCC2)OCCC#N 1 2.933 2 1 -1.33868066218545 605218 C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3)C(=O)C1 1 1.852 2 2 0 -16.5034268552155 605217 CN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)N(C1=O)C 1 2.508 2 2 -9.74904752301461 605192 CC(C)OC1=CC=CC=C1C2C(CCC(=O)N2)[N+](=O)[O-] 1 2.089 2 4 -13.300874359096 605169 CC1=C(C2=C(C=C1)C(CC(=O)O2)(C)C)C 1 3.353 0 2 4.02941480121718e-003 605132 C1COCCN1C2=C(C=C(C(=C2)C#N)C#N)Cl 1 2.102 3 1 -2.0999548979097 605082 COC1=C(C=C(C=C1)C2=NN(N=N2)CC#N)OC 1 1.203 5 2 0 -2.07920868133947 605078 COC(C(=O)NC1=CC2=C(C=C1)C(=O)NC2=O)(C(F)(F)F)F 1 1.069 2 4 0 -9.96247413349821 605049 CNC(=O)ON=C(CC1=CSC2=CC=CC=C21)N 1 1.615 3 2 0 0.496339949132146 605044 CC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC 1 2.927 3 3 -3.17368285533124 605028 C1CCN(CC1)C2(CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4)C(=O)N 1 2.267 4 1 -1.20751187002917 605024 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NN=CC3=CC=CC=C3 1 1.938 3 3 0 -8.58359289203373 604935 C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=NC=C3)C(=O)C1 1 0.702 3 2 0 -15.6275747407807 604897 CCCCCCC(=O)NC1=C(C=C2C(=C1)C(=CC(=O)O2)C)C 1 4.444 1 3 -14.5386892543054 604891 CC1CCN(CC1)C(=O)C2=C(C(=CC(=C2F)F)C)Cl 1 3.974 1 1 -6.84001753466085 604819 CC(=O)C1=CSC(=N1)C2=CC=CC=C2 1 2.378 1 1 -0.828622450935699 604805 CC1=C(C(=O)N=CN1)Br 1 0.14 2 1 0 -4.96164568728528 604735 CC1=CC(=C(C=C1)C2=CC(=O)NN2)C 1 1.437 2 1 0 -0.658547614023021 604712 C1=CC=C(C(=C1)C2=CC=C(O2)C=NN3C=NN=C3)[N+](=O)[O-] 1 2.144 5 3 0 0.119019790720812 604704 C1CC(=O)N(C1=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3 1 3.172 3 2 -10.7224752900602 604700 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)C3=CC=CC=C3 1 1.705 2 4 0 -10.6645871961258 604678 C1=CC=C(C=C1)C2=NC(=CO2)C(=O)N 1 1.083 2 2 0 1.44351544481335 604668 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OC 1 1.402 2 3 0 -6.34643722679912 604664 COC1(C(CCC(=C1N=O)NO)O)OC 1 -0.563 2 5 0 -0.885897753411121 604644 CCOC(=O)CSC1=NC(=NC(=C1Cl)C)N 1 1.909 3 2 0 -10.9671136917524 604633 CC1=CN=NC2=C1C3=NON=C3CC2 1 1.064 4 1 0 -2.18684763442888 604621 COC1=CC(=C(C=C1C(=O)OC)Cl)NS(=O)(=O)C2=CC=CC=C2 1 2.821 1 5 -9.28172210413675 604603 C1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N 1 2.62 2 2 -1.63208534515964 604596 CCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)N 1 2.237 3 1 5.43937300430172 604590 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C 1 3.088 1 3 -1.21646736159335 604548 CN1C=C(C(=N1)C(=O)NC2=CC=CC=C2OC)Br 1 2.425 3 2 -7.45052430244626 604525 CC1=C(C(=NN1CC(=O)NN)C)Br 1 1.8e-002 4 1 0 -8.29644906053999 604514 C1CCC2(CC1)SC(C(=C(S2)N)C#N)C3=CC=CC=C3 1 3.884 2 0 -3.75483002596917 604494 CC1=NN=C(S1)SCCC(=O)NC2=CC=C(C=C2)OC 1 1.974 3 2 0 -15.7963464006188 604485 C1=CC=C(C=C1)C2=NC(=N)N(C=C2)O 1 1.512 3 1 0 1.58157980907852 604442 CC1=NC2=CC=CC=C2C(=C1)C(=O)O 1 1.928 1 2 0 -2.02391423905116 604437 C1=CC=C(C=C1)C2=CSC(=N2)CCNC(=O)C3=CC=C(C=C3)Br 1 4.213 2 1 -3.14412495887725 604425 C1=CC=C(C=C1)C2=CC=C(O2)C=NO 1 2.861 1 2 5.9087171998696 604410 CCOC(=O)C1=C(N=CN1)C(=O)NC2=CC=CC=N2 1 0.814 4 3 0 -9.54713492469102 604408 C1=CC=C(C=C1)C(=O)C2=C(NC=N2)C(=O)NC3=CC=CC=N3 1 2.014 4 2 -6.53142787058481 604350 C1=CC2=C(C=C1O)OC(=C(C2C3=CC=NC=C3)C#N)N 1 1.469 3 2 0 -0.756233230724804 604334 C1CN2CCC1C(C2)C3=CC=CC=C3 1 2.429 1 0 2.39628341855408 604231 CCC(C1=CC=CC=C1)NC(=O)C2=CC(=CN=C2)Br 1 3.12 2 1 -8.42331235078837 604136 C1=CC=C2C(=C1)C3=C(O2)C(=O)N=CN3 1 1.345 2 2 0 1.1338953973807e-002 604128 CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C)C(=CC2(C)C)C 1 4.746 1 2 -6.59403909759751 604122 CC1=CC(=O)N=C(N1)C2=CC=CC=C2 1 1.43 2 1 0 -7.71201614091401 604092 CC1(CC2=C(CO1)OC3=C2C4=NC=NN4C=N3)C 1 1.039 4 2 0 -11.6762911139706 604083 CC1=NC(=O)C=C(N1)C2=CC=CC=C2 1 1.001 2 1 0 -4.05274502896005 604080 CC(C)(C)NC1=NC(=NC(=N1)Cl)NC(C)(C)C 1 2.378 5 0 -6.27366001932795 604063 CC1=NN(C(=O)C1C=NC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3 1 2.75 4 1 2.18501432024774 604059 CS(=O)(=O)NCCCNC1=C(C=C(C=C1)Cl)[N+](=O)[O-] 1 1.242 3 4 0 -5.77366105349849 604058 COC1=CC=C(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl 1 4.79 0 2 2.23603636241107 604038 COC1=C(C=CC2=CC=CC=C21)C(=O)NC3=NC=CS3 1 2.503 2 2 -3.44944564259297 604036 CC1C(N(CCC1(NC(=O)C)NC(=O)C)C)C2=CC=CC=C2 1 1.177 3 2 0 -1.33073662722987 604033 C=CCN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CN=CC=C3 1 2.336 5 1 -19.2396209429907 604023 CC1=C(C=CC(=C1)NC(=O)C)S(=O)(=O)C 1 0.962 1 3 0 -9.29540923572833 603994 CC(C)(C)C1=CC(=NN1)C2=CC=CC=C2 1 3.912 2 0 5.74487979893539 603984 CCOC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)SC)Cl 1 4.153 1 2 -2.1340616299398 603979 CC(C)(CNC1=C(C=C(C=C1)[N+](=O)[O-])Cl)CNS(=O)(=O)C 1 2.094 3 4 0 -6.33685116195619 603962 C1=CC=C(C=C1)P(C2=CC=CC=N2)C3=CC=CC=N3 1 4.484 2 0 -0.162142260930293 603870 C1=CC(=CC=C1C(=O)CNC(=O)C2=CC=C(C=C2)Br)Br 1 3.79 1 2 -7.42581890971911 603848 CC1=CC(=C(C=C1)C2=CN=C(S2)NC(=O)C3=CC(=CC=C3)Br)C 1 5.142 2 1 -2.31987466255418 603842 COC1=C(C=CC2=CC=CC=C21)C(=O)NC3=NC=C(C=C3)Br 1 3.643 2 2 -3.6741007616553 603824 CC1=CC2=NC3=C(CCO3)C=C2C=C1 1 3.099 1 1 3.44232469485776 603801 COC1=CC2=CC=CC=C2C=C1C(=O)NN=CC3=CC4=C(C=C3)OCO4 1 3.343 2 4 -6.04849597080429 603799 C1=CC=C(C=C1)OCCNC(=O)CSC2=NC=NN2 1 1.365 4 2 0 -16.4059708569891 603786 CN1C(=CC=N1)C(=O)C2=CC=C(C=C2)Cl 1 2.839 2 1 -5.07993851644865 603778 CC1=CC(=C(O1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.303 1 4 -3.62765182793268 603755 C1=CC=C(C=C1)S(=O)(=O)NCCNC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 2.757 3 4 0 -6.02016848377694 603751 CC1=NN(C(=O)C1C=NC2=CC=CC=C2O)C3=CC=CC=C3 1 2.346 3 2 7.32170827871072 603741 CCOC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F 1 0.587 2 5 0 -11.3055633564585 603738 CC1=CC=CC(=C1)C2=NC=C(C(=N2)N)S(=O)(=O)C(C)(C)C 1 2.407 3 2 5.68552371913178 603692 COC1=C(C=C(C=C1)CC(=O)N2C3=CC=CC=C3N=C2CC#N)OC 1 3.322 3 3 -5.79470700964467 603685 C1CN(C2=CC=CC=C21)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.454 2 3 -10.3616402029236 603661 CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)N 1 3.691 3 0 5.98851298982281 603617 C1=CC(=CN=C1)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 2.022 3 3 -3.6797172212443 603594 CC1=C(SC2=C1SC(=N2)N)C 1 2.064 2 0 2.79007664609147 603525 CC1=C(C(=NN1C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C)Br 1 3.663 3 3 -4.2643248846436 603501 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)O 1 1.136 4 2 0 -6.15612578898014 603492 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=NON=C2N 1 0.72 6 3 0 -21.450984445911 603430 CC1CC(=CC(C1CN(CCN2CCN(CC2)C(=O)C)C(=O)C)C)C 1 1.629 3 2 0 -7.9109709863218 603425 C1CN(CCN1CCC(=O)NC2=NC=CS2)C3=CC=C(C=C3)Cl 1 2.495 4 1 1.02266214180412e-002 603423 CC1(C2CCC1(C(C2)OC(=O)CSC3=NC(=O)C=C(N3)N)C)C 1 2.275 3 3 -13.0540790855676 603377 C1=CC=C(C(=C1)C2=NC(=NO2)C3=NON=C3N)Br 1 1.918 5 2 0 0.596725878218308 603361 CC1=NC2=C(C(=N1)Cl)OC3=CC=CC=C32 1 2.812 2 1 5.5815328709614 603360 C1C=C(CS1(=O)=O)CSC2=NC3=CC=CC=C3N2 1 2.208 2 2 -4.46508775296942 603324 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Br)Br 1 4.111 1 1 -3.58291745377265 603320 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)Br 1 3.138 1 3 -8.26021242736962 603182 CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)Br 1 3.747 1 1 -8.87214621254256 603176 CC(=NNC(=O)CNC(=O)C1=CC=CC=C1Br)CC2=CC=CC=C2 1 2.497 3 2 -13.9102295888582 603175 C1=CC=C(C=C1)CCC(=O)NNC(=O)C2=CC=CC=C2Br 1 3.11 2 2 -11.5416048412919 603150 CCOC(=O)CNC(=O)C1=CC=CC=C1Br 1 1.842 1 3 0 -11.5302223924236 603114 C1=CC(=CC=C1C(=O)NC2=NC=CS2)Br 1 2.36 2 1 -5.68247160886746 603094 COC1=CC=C(C2=CC=CC=C21)C=NNC(=O)C3=CN=CC=C3 1 2.424 3 2 -3.89022516427767 603068 CC12CN(CC(C1O)(CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C)C 1 3.506 2 1 -1.96255478179569 603066 CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.546 3 2 -14.1838906481849 603005 C=CCC1=C(N=C(NC1=O)SCC(=O)C2=CC=CC=C2)O 1 3.117 2 3 -13.9512092547325 602926 CC1=C(C(=C(O1)C)C(=O)C)CSCC2=CC=C(O2)C(=O)O 1 2.199 0 5 -9.0612143794627 602897 COC1=CC(=C(C=C1N=C2C(=NSS2)Cl)OC)Cl 1 4.046 2 2 4.19598674074498 602886 CC1=C(SC(=C1C(=O)OC(C)C)N)C(=O)N 1 1.231 2 3 0 -3.70798364235482 602880 CCOC(=O)C1=C(SC(=C1C)C(=O)N)N 1 0.853 2 3 0 -1.84987839981123 602873 CCC(=O)NC1=C(C2(CCCC2)CC3=CC=CC=C31)C#N 1 3.228 2 1 -7.6511744866522 602862 CC1=CC(=O)OC2=C1C=CC3=CC=CC=C32 1 3.254 0 2 -0.409059313654027 602851 C1CCC2(CC1)CC3=CC=CC=C3C(=C2C#N)N 1 2.996 2 0 -2.99734322790922 602841 C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)NC3=CC=CC=C3 1 4.475 2 2 -6.99700566341412 602836 CC1=C(C(=CC=C1)C)NP(=O)(C)OC2=CC=CC=C2OC 1 3.33 1 3 1.38285106233423 602757 C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C4=CC=CC5=C4C(=CC=C5)C3=O 1 2.303 2 4 -7.00321904753174 602761 C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)O 1 3.123 0 2 -1.42834930911075 602767 C1=CC=C(C=C1)OCCNC(=O)C2=CC=CC=C2Cl 1 3.334 1 2 -7.8961108443128 602768 COC1=CC=C(C=C1)OCCNC(=O)C2=CC=CC=C2Cl 1 3.318 1 3 -7.7977066156753 602681 CN(C)C1=NC(=O)N2CCOC2=N1 1 0.738 4 2 0 -4.38852996817943 602688 COP(=O)(C(C1=CC=CC=C1)NC2=CC=CC=C2)OC 1 2.735 1 3 -7.14699256655513 602728 CC12CN3CCN(C1)CC(C3)C2O 1 -0.177 2 1 0 -0.277195596766082 602712 C1CCC(CC1)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.525 3 3 -15.2886601616489 602665 C1OC2=C(O1)C=C(C(=C2)N)[N+](=O)[O-] 1 0.745 2 4 0 -2.57879922160783 602660 CSC1=NC(=NC(=N1)N)C2CC2 1 1.496 4 0 0 -1.32131177537986 602635 COC1=C(C=CC(=C1)SC)C(=O)NCCNC(=O)C2=NON=C2N 1 0.445 5 4 0 -13.547520931703 602616 COC1=C(C=CC(=C1)SC)C(=O)N2CCC3=CC=CC=C32 1 3.42 1 2 -7.62892775818622 602539 CN(C)C1=NC(=NC(=N1)C(=O)NN)N(C)C 1 -1.317 7 1 0 -4.69648588230477 602538 CN(C)C(=O)C1=C2C=CC=C3C2=C(CC3)C=C1 1 2.753 1 1 0.335038498929205 602523 CCN(CC)C1=NC(=O)N2CCOC2=N1 1 1.436 4 2 0 -5.46858419886148 602516 C1C2C(CC(=O)O2)C(C1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)CO 1 2.425 0 5 -1.67424547879535 602501 COC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13 1 2.942 1 3 -6.48895981360556 602473 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)CC(=O)NC4=CC=CC=C4F 1 4.325 1 2 -9.62755464993844 602438 COC1=C(C=CC(=C1)SC)C(=O)NC2=CC3=C(C=C2)N(CC3)S(=O)(=O)C 1 2.331 2 4 -14.5757777150056 602372 CCN(CC)C1=NC=C(C(=O)N1)C 1 0.598 3 1 0 -5.82956385476857 602197 C1COCCOCCOC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCOCCO1 1 0.855 1 9 0 -3.838588207233 602131 CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3CCCCC3 1 3.766 2 2 -8.77594901643795 602122 C1CCC2=C(CC1)SC3=C2NC(=O)CCC3 1 3.103 1 1 -8.14422113996336 602112 C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])N 1 0.561 4 2 0 -2.92802903205772 602103 CCN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 2.659 2 2 -2.67884351996382 601953 C1=CC2=C(C=C1F)NC(=O)C(=O)N2 1 0.256 2 2 0 -5.55877522150518 601861 COC1=CC2=C(C=C1C=O)OCO2 1 1.341 0 4 0 -2.29967024000588 601673 CC(=O)C1=CC2=C(C=C1NC(=O)C3CC=CCC3C(=O)O)OCO2 1 1.324 1 6 0 -9.39322132248529 601670 C1=CC2=C(C=C1C(=O)O)SC=N2 1 1.543 1 2 0 -4.93959888987831 601656 CC1=CC(=NC(=C1C(=O)N)SC)C 1 1.531 2 1 0 -5.86071715811577 601625 C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C(=O)O 1 2.144 3 2 0.729069922608956 601566 CN(C)C=NN(C)C1=C(C=CC=N1)[N+](=O)[O-] 1 0.849 5 2 0 -5.26230528091467 601524 CC(=O)C1=C2C(=C(C=C1)OC(=O)C)OCCO2 1 1.123 0 5 0 -4.20782864276023 601464 C1=CC=C(C=C1)C2=C(N=NC(=N2)NN)C3=CC=CC=C3 1 2.637 5 0 3.803838388939 601428 CCC(=O)C1=CC2=C(C=C1NC(=O)CC)OCCO2 1 1.809 1 4 0 -10.2353873728183 601417 C1CCCC2=C(CC1)C(=C(S2)N)C#N 1 3.044 2 0 -4.98458556832304 601392 C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)NC4=O 1 2.017 1 2 -8.21404217767305 601336 CC1=C2C(=CC=C1)NC(=N2)SCC(=O)O 1 2.396 2 2 -5.00643979349943 601380 CC1=C(C2=C(N1)C(=CC=C2)Cl)CCN 1 2.36 2 0 3.68744527764931 601309 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=NON=C3N 1 1.687 6 2 0 -10.4546669860493 601291 COC1=C(C=C(C=C1)C2=NNN=N2)OC 1 1.266 4 2 0 -1.99227190650059 601275 CCC1=NN=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C)C)C#N 1 2.446 5 1 -22.7734331056786 601254 C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)O)C#N 1 1.844 2 3 0 -23.7993389686238 601231 CNC1=NC(=NC(=N1)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)OCC(F)(F)F 1 3.478 6 1 0 -4.96260623179038 622734 C1CC1C2=NC(=C(C(=C2)C3=CC=CC=C3Cl)C#N)N 1 3.574 3 0 -4.2245833318457 622720 CCC1=C(N=C2NN=C(N2C1=O)C3=CC=CC=C3C)C 1 2.861 4 1 -9.41052021055521 622700 CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)O)C(=O)C4=CC=CC=C42)C 1 2.932 1 4 -22.3960098049784 622617 C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)N=CC=C3)C(=O)O 1 1.346 2 4 0 -7.71521015158525 622563 CC1(N(C2=C3C(=CC=C(C3=C(C=C2)C=O)C=O)N1C)C)C 1 2.499 2 2 -1.04086726280731 622549 C1=CC=C(C=C1)C2=C(SC(=N2)N)C3=CC=C(C=C3)N 1 3.09 3 0 12.6542545589786 601074 CC1=C(C(=O)OC2=NNC(=C12)C)C 1 1.921 2 2 0 -1.01837361241432 601051 CN(C)C(=NC1=CC=C(C=C1)OC)P(=O)(N(C)C)N(C)C 1 0.792 4 2 0 0.146862991073258 622482 CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3S2)C 1 4.437 1 2 -4.99814270447455 622468 CN1C2=CC=CC=C2N=C1C(C3=C(C=CC(=C3)OC)OC)O 1 2.826 2 3 -2.77368741593972 622466 CCN1C2=CC=CC=C2N=C1SCC3=CC=CC=C3Cl 1 5.231 2 0 -6.80019590838759 600947 CC1(CC(=CC(=O)C1)NC2=CC=C(C=C2)F)C 1 2.909 1 1 -12.1942527439508 600983 CC(C)C1=CC2=C(C=C1)N=C(S2)N 1 2.903 2 0 4.89943358108235 600980 CCC1=C(C2=C(NN=C2OC1=O)C)C 1 2.377 2 2 -2.84268969662088 622408 CC(=O)NC1=C(OC2=CC=CC=C21)C(=O)C3=C(C=CC(=C3)OC)OC 1 2.916 1 5 -1.53382736183248 622378 COC1=C(C=C2C(=C1)CCN=C2C3=CC=CC=C3)OC 1 3.536 1 2 -2.45420138256756 622353 CCC1=NC=C(N1C)C(C2=CC=CC3=CC=CC=C32)O 1 2.951 2 1 -1.73848266643886 622352 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CC(=O)O 1 2.992 2 2 -5.30209713595775 622289 COC1=C2C3=C(C=CN2)C4=CC=CC=C4N3C(=O)C1=O 1 1.194 2 3 0 -7.21518366340751 622283 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)OC 1 3.524 2 2 3.25443734266764 622237 CCN1C=C(C(=O)C2=C1SC(=C2C)C(=O)OCC)C(=O)OCC 1 2.848 1 5 -10.513110063477 622180 CN1C2=C(C=C(C=C2)OC)C(=O)C=C1C3=CC=CC=C3 1 3.298 1 2 3.42844382371408 622172 CC1=CC(=C2C(=C1)C(=C(C(=N2)C(F)(F)F)C#N)N)C 1 3.491 3 0 0.289101168912937 622148 CC(C)CC1C(=C(OC2=C1C(=O)CC(C2)C3=CC=CC=C3)N)C#N 1 3.268 2 2 -19.3390756769151 622051 C1CC(=C(C1)NC2=CC=C(C=C2)Br)C#N 1 3.378 2 0 -2.22245073033378 622000 CC1(CC2=C(C(=O)C1)SC(=N2)N3CCCCC3)C 1 2.564 2 1 -7.010370486355 621980 C1=CC=C(C(=C1)N2C(=NOC2=O)C3=C(C=CC=C3F)F)Cl 1 4.192 2 2 0.666260577563654 621951 CC1=C(C=C(C=C1)N2C(=O)C(=C(C)C)C(=O)N2)Cl 1 2.816 2 2 -4.86128333832442 621946 CN1C2=NC3(CCCCC3)ON=C2C(=O)N(C1=O)C 1 0.881 4 3 0 -5.17994053290637 621938 CC(C)S(=O)(=O)C1=C(SC(=C1)C(=O)N2CCC3=CC=CC=C32)SC 1 3.767 1 3 -14.9122928464112 621902 CCSC1=C(C(=O)N(N=C1)C2=CC=CC=C2)SCC 1 2.667 2 1 -3.89232895118575 621893 C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=N3 1 5.095 1 0 -0.162142260930293 621836 C1COCCN1CC(CN2C=NC(=C3C2=NC(=N3)N4CCOCC4)N)O 1 -1.17 7 3 0 -4.60255134060014 621830 CC1(CC(CC(N1)(C)C)CCNC(=O)C2=CC=CO2)C 1 2.139 2 2 -10.789383210137 621805 CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C 1 2.966 4 1 -13.7196034563859 621599 CC1=C(C(C(=C(N1C)C)C(=O)OC)C2=CSC=C2)C(=O)OC 1 2.069 1 4 -11.6102328269635 621562 CCOP(=O)(C(C1=CC=C(C=C1)Cl)NC2=CC=C(C=C2)[N+](=O)[O-])OCC 1 3.992 2 5 0 -6.9218164092527 621551 COC1=CC(=C(C=C1)C(C2=C(C=CC3=CC=CC=C32)O)N4CCOCC4)OC 1 3.837 1 4 -0.499549395565631 621538 C1=CC=C(C=C1)C2C(=C(N3C4=CC=CC=C4SC3=C2C#N)N)C#N 1 3.849 4 0 -5.45196460038818 621531 C1CC2C3=C(C=CC(=C3)O)OC2(C1)N4CCOCC4 1 2.082 1 3 8.82630963156955e-002 621516 CC1=C(SC(=C1C(=O)OC)N)CC2=CC=CC=C2 1 3.056 1 2 0.297062822088714 621422 COC1=CC2=C(C=C1)N=C3C=C(C=CC3=[N+]2[O-])Cl 1 2.863 2 2 6.26329548982783 621410 COC(=O)C1=CC=C(C=C1)CN2C=C(C=N2)[N+](=O)[O-] 1 1.813 3 4 0 -10.8136819679605 621402 C1=CC=C(C=C1)NC2=NC=NC3=C2OC4=CC=CC=C43 1 3.435 3 1 7.23463295345958 600902 CC1(CC(=O)C2=C(O1)C=C(C=C2)O)C 1 1.828 0 3 0 -2.93682726942701 600881 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC 1 1.466 2 5 0 -18.2596409750038 600799 CC1=CC=C(C=C1)C2C(=C(SC(=C2C#N)N)N)C#N 1 1.949 4 0 0 -4.53207092684962 600791 COC1=CC=C(C=C1)C=NNC(=O)C(=O)N2CCCCCC2 1 1.936 3 3 0 -10.2634843459936 600721 COC1=C(C=C(C=C1)C(C#N)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)OC 1 4.507 3 2 -3.81402974302359 600719 CC1=C(C(=O)C2=C(N1)C(=CC=C2)OC)SC(C(C(F)(F)F)F)(F)F 1 4.376 1 2 -6.66265840944378 600670 CC1(C(CC2=C(O1)C=CC3=C2OC(=O)C=C3)O)C 1 2.029 0 4 -3.81389014534892 600610 COC(=O)CCC(=O)NC1=NC(=CS1)C2=CC=CC=C2 1 1.965 2 3 0 -9.25409338658957 600567 C1=CC=C(C=C1)C2C(=O)NNC2=O 1 5.2e-002 2 2 0 -5.59206128597407 600599 C1COC2(O1)C3=CC=CC=C3N(C2=O)CCC#N 1 0.704 2 3 0 -10.3272933740673 600579 CCCOC1=C(C=C(C=C1)CCN2CCC(=O)NC2=O)C 1 2.54 2 3 -7.51727057812622 600541 CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C 1 1.469 1 3 0 -11.341183130933 600536 C1CN(CCN1CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.001 3 2 -10.5824437616474 600498 CCCCC(=O)NC1=C(NC2=CC=CC=C2C1=O)O 1 2.056 2 3 -10.71521465817 600485 CC(=O)NC1=C(NC2=CC=CC=C2C1=O)O 1 0.477 2 3 0 -6.21926008388764 600466 C1COCCN1C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3Cl)F)F 1 2.627 2 4 -10.2484188253734 600396 C1CCCC(CCC1)NC(=O)C2=CC(=C(C=C2Cl)F)F 1 4.884 1 1 -4.57702181699474 600362 C1=CC(=CN=C1)NC(=O)C2=CC(=C(C=C2Cl)F)F 1 2.539 2 1 -2.60319259133354 600329 C1CCC(CC1)NC(=O)C2=CC=C(O2)Br 1 2.859 1 2 -7.40169163815421 621392 C1CCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC1 1 2.916 2 1 -15.8864700258739 621369 C1CCC2=C(C1)C3=C(S2)N=C4CCCCN4C3=O 1 2.916 2 1 -15.385679698893 621367 C1CCC2=C(CC1)SC3=C2C(=O)N4CCCC4=N3 1 2.916 2 1 -16.6931218555056 621330 C1CCN(C1)S(=O)(=O)C2=CC=CC3=C2C(=CC=C3)Cl 1 2.98 1 2 -7.37519712711775 621316 CC(=NNC1=CC=CC=C1C(=O)O)C2=CC=CS2 1 3.012 2 2 -5.30802803770026 621309 CCOC1=CC=C(C=C1)C2=NN3C=NN=C3SC2 1 2.127 4 1 -4.25212446368618 621302 CCOC(=O)C1=NN(C(=O)C(=N1)N)C2=CC=CC=C2 1 0.755 4 3 0 -6.2098315391853 621268 CN1C(=CC(=N1)C2=CC=C(S2)C(=O)N(C)C)C(F)(F)F 1 3.319 3 1 -5.22672564780818 621265 CNC(=O)C1=CC=C(S1)C2=CC(=NN2C)C(F)(F)F 1 3.113 3 1 -4.68857481220919 621221 CN1C2=C(C=NC=C2)N=C1C3=NC4=CC=CC=C4C=C3 1 2.94 4 0 3.2393592914915 621197 CCN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31 1 3.207 1 2 0.213494690069051 621146 C1=CC2=C3C(=C1)NC(=NC3=CC=C2)C4=CC(=CC=C4)N 1 2.783 3 0 -3.39056016339444 621132 C1C=CCC(C1C(=O)NCC2=CC=CC=C2)C(=O)O 1 1.823 1 3 0 -8.7656184851578 621044 COC1=CC=CC(=C1)C2=CSC3=C2C(=O)NC=N3 1 2.039 2 2 2.65311555602351 621011 CC1=NC2=NC(=CN2N=C1C)C3=CC=C(C=C3)Cl 1 2.894 4 0 2.17880954165182 620971 COC1=CC2=C(C=C1)OC=C2C(=O)C3=CC=CS3 1 3.474 0 3 0.705082008907329 620910 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=CC=N3)C4=CC=C(C=C4)Cl 1 4.178 3 1 -6.68667817653711 620880 C1=CC(=CC=C1O)OC2=C(C=C(C=N2)Cl)Cl 1 3.865 1 2 9.11611560718286 620872 CC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CSC=C3)C 1 3.194 1 1 -5.34009525396844 620811 CC1=NN(C(C1)(C)C)C(C#N)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.731 4 2 0 -6.32231469387392 620761 CC1=CC(=NC2=C1C3=C(S2)C(C(=C(O3)N)C#N)C4=CC(=CC=C4)F)C 1 3.827 3 1 -1.0038227123439 620757 CC1=CC=C(C=C1)N2CC3=C(C2=O)C(NC(=O)N3C)C4=CC=CC=C4 1 2.362 3 2 -13.5674393104141 600291 C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)C3=CC(=C(C=C3Cl)F)F 1 4.514 2 1 -2.82600194983392 600284 CC1=CC(=O)NC2=C1C=CC(=C2)OC(=O)C 1 1.466 1 3 0 -7.69892178990214 600280 CN1C(=O)C2=CC=CC=C2N=C1N 1 0.825 3 1 0 -3.9004509125941 600277 CCCCCC1=NC2=CC=CC=C2C(=O)N1N 1 2.372 3 1 -6.87709930279743 600274 C1=CC2=C(C=C1C(F)(F)F)N=NN2O 1 0.16 3 1 0 3.60225052844925 600239 CCCCC#CC1=CC=C(O1)C(=O)NNC(=O)NC2=CC=CC=C2 1 3.911 3 3 -8.66615777305645 600181 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CC=C3 1 1.588 4 2 0 -5.4176504334429 600183 C1CCN(C1)C(=S)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.023 2 2 -7.38998889767985 600225 C1CC(NC(=O)C1)C2=CC=CC=C2 1 1.697 1 1 0 -3.13907323328666 600180 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)F)C3=CC=CC=C3 1 2.791 3 1 -0.637938576070342 600179 C1CN(CCN1CC(=O)NC2=CC=CC=C2Cl)C3=CC=CC=C3 1 3.25 3 1 -1.51756432712185 600165 COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3 1 2.441 3 3 -4.43499236690766 600149 CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(O2)C3=CC=CO3)C 1 4.389 2 3 -9.41701158042406 600141 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)F 1 2.196 4 1 -6.17990460820836 600139 CC1CCCC(N1C(=O)C2=CC(=C(C=C2Cl)F)F)C 1 3.991 1 1 -5.64435793640274 600133 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC4=C(C=C3)OCO4 1 1.758 4 3 0 -10.0884471376834 600125 CCCCCCC1=NC2=CC=CC=C2C(=O)N1N 1 2.829 3 1 -6.93434942033379 600113 C1=CC=C(C(=C1)NC(=O)CSC2=CC=CC3=C2N=CC=C3)F 1 3.4 2 1 -9.61930759080557 600088 CC(=O)N1C2(CCCCCC2)OC(=N1)C3=CC=NC=C3 1 1.935 3 2 0 -8.56516957237521 600087 CC1(CCC2=C(O1)NC3=CC=CC=C3C2=O)C 1 2.951 1 2 -6.22156881236495 600062 CC1=CC2=C(C=C1)N=C(N=C2OC)N=C(N)N 1 1.236 5 1 0 2.44550279241001 599999 C1CCC(C1)CCC(=O)NC2=NC=C(C=C2)Br 1 3.459 2 1 -10.6383349101294 599987 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NC(=NO3)C4=NON=C4N 1 0.624 6 4 0 -4.90352216833378 599970 CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)N 1 1.858 4 3 0 -20.218200584369 599963 CCC1=NC2=CC=CC=C2NC1=O 1 1.5 2 1 0 -10.4871086809343 599957 C1CC2=NON=C2C3=C1N=NC=C3 1 0.578 4 1 0 -3.22666605221946 599871 CCN1C(=O)CC(C1=O)N2CCC(CC2)CC3=CC=CC=C3 1 2.445 2 2 3.47145501296101 599866 CC1=CC2=C(C=C1)OC(=O)C=C2CN3CCOCC3 1 2.107 1 3 -4.65623020240015 599772 CC1=NN(C(=C1C2=CC=CC=C2)N)C3CCCCC3 1 3.517 3 0 -7.46421610245068 599766 C1=CC=C(C=C1)C2C=C(NC(=O)N2)C3=CC=CC=C3 1 2.484 2 1 -6.5900063433773 599759 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N(C)C 1 0.305 3 2 0 -7.94702886106513 599736 CC(C)CC1=CC=C(C=C1)C2=CC(=O)NN2 1 2.115 2 1 2.59160643570539 599715 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC=C(C=C3)C(=O)OC 1 1.531 3 4 0 -12.17708368991 599710 CCOC(=O)CCC1=NC2=CC=CC=C2NC1=O 1 1.253 2 3 0 -18.0340508335593 599637 C1=C(OC(=C1)Br)C2=NC(=NO2)C3=NON=C3N 1 1.133 5 3 0 -0.930372905993121 599573 C1C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)O1 1 3.552 1 3 -4.2192767062512 599556 CC1=NN(C(=N1)C)CC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.597 3 1 -0.286903303521947 599528 C1=CC(=O)NC=C1Br 1 0.128 1 1 0 -5.10962698182627 599518 C1CCN(C1)C2=C(C=C(C=C2)C=O)[N+](=O)[O-] 1 2.106 2 3 -3.13974036252232 599450 C1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)O1 1 3.165 1 3 -4.58413549382335 599501 CC1=C(C(=NN1)N)C2=CC=CC=C2 1 1.73 3 0 0 3.23973788075012 599493 CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C 1 3.114 3 3 -10.1117575782121 599486 C1CCC(CC1)C2=NC(=O)C3=CC=CC=C3N2 1 2.955 2 1 -3.88976361954975 620750 CCOC(=O)C1C(C(C(=O)C=C1C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.855 1 7 0 -8.30547610595438 620733 CC1=C(C=C(C=C1)N2C(C(C2=O)OC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C 1 5.161 1 4 -8.87421734463717 620711 C1=CC2=C(C=CC(=C2)C3=CC4=C(C=C3)N=CC=C4)N=C1 1 3.721 2 0 6.55075348079012 620656 CCOC(=O)NC1=CC=CC(=C1)NC2=CC=CC=C2 1 3.492 2 2 -1.56723730768421 620616 C1CCN(CC1)C(=O)C2=CC=C(C=C2)C(F)(F)F 1 3.103 1 1 -1.24122912945898 620565 C1=CC=C(C=C1)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-] 1 2.844 4 3 0 2.74807622128488 620536 COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)CS5 1 4.17 2 2 -12.90111547332 620511 CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C(C)OC)C)C 1 3.988 0 4 2.9954875185367e-003 620461 COC1=CC2=C(C=C1)C3=C(C2=NO)C=C(C=C3)OC 1 2.957 1 3 -0.529399287578061 620459 C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)O 1 3.468 1 2 4.85599300646732 599428 CCOC(=O)C(C)C1=NC2=CC=CC=C2NC1=O 1 1.681 2 3 0 -13.0615124059159 599317 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=C(C=C(C=C3)F)F 1 3.055 1 3 -9.96126726809745 599289 CC1=CC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.13 1 3 -8.57139337422831 599277 CC1(OC(C(O1)C(=O)N)C(=O)N)C(C)(C)C 1 -0.679 2 4 0 -3.9332288485682 599200 CCSC1=NN=C(O1)C2=C(C=C(C=C2)Cl)Cl 1 3.89 2 1 -3.01206653926522 599120 CCC1=C(NC2=CC=CC=C2C1=O)C 1 2.629 1 1 -6.33557476111213 599035 C1CSC(=N1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)Br 1 3.304 2 2 -3.62261378070575 598953 CN1C=CN=C1SC2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.142 3 2 0.490882678649488 598904 C1=CC=C(C=C1)C=NNC2=NC=NC3=CC=CC=C32 1 2.908 4 0 4.72179508875904 598902 C1=CC=C(C=C1)C=NNC2=NN=CC3=CC=CC=C32 1 2.641 4 0 2.93540106663664 598857 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NC3=CC=CC4=C3N=CC=C4 1 3.544 2 2 -5.17612630477439 598854 CC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.242 5 2 0 -13.7805207457125 598849 C1=CC=C(C(=C1)OCCNC(=O)NC2=CC=C(C=C2)Br)F 1 3.532 2 2 -5.52443362629551 598844 CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)Br 1 2.352 3 2 -18.1843642923243 598754 CC1=CC(=NC2=CC=CC=C12)N3CCNCC3 1 2.005 3 0 0.769063912994815 598665 COC1=C(C2=CC=CC=C2C=C1)CN3CCN(CC3)C(=O)C4=CC=CC=C4 1 3.676 2 2 0.567831895497921 598633 C1=CC(=C(C=C1C2=CC(=O)NN2)Cl)Cl 1 1.793 2 1 0 -0.355841288750889 598594 CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC=C(C=C2)C 1 1.651 3 3 0 -6.63417491357252 598544 C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)N 1 3.493 1 0 7.4887254108807 598521 C1=CC=C(C=C1)CN2C3=NC=NC(=O)C3=NN2 1 0.594 5 1 0 -1.87188280334613 598513 CCCCC(=O)C1C(=O)NC(=O)NC1=O 1 0.238 2 4 0 -10.2401180874285 598481 CC1=C(N2CCC3=CC=CC1=C32)C 1 3.035 1 0 2.22797110249686 598478 C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.607 0 4 -6.37912700592632 598294 CC(=O)N(CC1=C(C2=CC=CC=C2N1C)C#N)C3=CC=CC=C3 1 3.196 3 1 -4.01677111989309 598265 CC(C)P(=O)(C1=CC=CC(=C1)C(=O)O)C(C)C 1 2.906 0 3 -5.61130989812097 598255 CC1=CC(=NC(=N1)C2=CC=CC=C2)Cl 1 2.827 2 0 2.39932450015459 598249 CCOC(=O)CSCC1=C(C2=CC=CC=C2N1C)C#N 1 2.89 2 2 -11.3231079307916 598216 CC1=C2C=C(C(=O)N2C3=CC=CC=C3N1)CC(=O)O 1 0.856 2 3 0 -12.6701637134258 598179 C1=CC(=CC(=C1)Br)COC(=O)CN2C(=NN=N2)N 1 0.974 5 2 0 -11.3091240792888 598175 COC1=C(C=CC(=C1)C=O)OCC2=CC=CC=C2Br 1 3.888 0 3 -6.87490925538505 598162 C1CCC(CC1)NC(=O)N2C3=C(C=CC(=C3)Cl)OC2=O 1 3.848 2 3 -2.00180153977591 598161 CCCCNC(=O)N1C2=C(C=CC(=C2)Cl)OC1=O 1 3.319 2 3 -4.31708834771023 598160 CN1C2=CC=CC=C2C(=C1CNC3CCCCC3)C#N 1 3.682 3 0 0.270023371676915 598144 CN1C2=CC=CC=C2C(=C1CN3CCCC3)C#N 1 2.82 3 0 -0.722123583630335 598097 C1=CC=C2C(=C1)C=C(C=N2)N3C=NN=N3 1 0.903 5 0 0 -10.1804529720629 598040 CC(=O)OCC1C(C(C(C(O1)N2C=CC3=CC=CC=C32)OC(=O)C)OC(=O)C)OC(=O)C 1 1.69 1 9 0 -20.2869547739894 597977 CC(C)C12CCC(C(C1)C(=O)O2)C(=O)O 1 1.501 0 4 0 -5.41096098525625 597891 CC1(C2(C=CC3=C(O2)C=CC4=CC=CC=C43)N(C(=O)O1)C5=CC=CC=C5)C 1 5.14 1 3 -3.97919287984148 597885 COC1=CCC2(CC1(CN(C2)CC(=O)O)[N+](=O)[O-])[N+](=O)[O-] 1 -3.067 3 7 0 -5.78507878514246 597871 C1CC2=C(C3=CC=CC=C3N=C2C1)Cl 1 3.744 1 0 3.25405186760776 597857 CC1=CC(=NC(=C1C(=O)N)Cl)C 1 1.323 2 1 0 -2.01651565107913 597845 CC1=CC(=NC(=C1C(=O)NC2=CC(=CC=C2)F)Cl)C 1 3.312 2 1 -3.46654420064165 597837 CC1(OC(C(O1)C(=O)NC2CCCCC2)C(=O)NC3CCCCC3)C 1 1.944 2 4 0 -8.66950234741072 597833 CC1=NC2=CC=CC=C2C(=O)N1N(C3=CC=CC=C3)C4=CC=CC=C4 1 4.416 3 1 -5.53759889963292 597819 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3F 1 4.356 1 1 -12.625845376337 597788 CCC1(C(=NC(=O)N(C1=O)C)NC)CC 1 1.211 3 2 0 -3.18278292768279 597758 CC1=C(N=CC=C1)NC(=O)NC(=O)C2=CC=C(S2)C(C)(C)C 1 3.914 3 2 -1.72163309141234 597704 C1=CC=C(C=C1)N2C=CC=C2C=NNC(=O)C3=CC=NC=C3 1 2.7 4 1 -4.3305187471912 597703 C1=CC=C2C(=C1)NC(=N2)C(F)F 1 2.205 2 0 2.06377101943773 597624 CC(C)SC1=NC2=C(N1)C(=NC=N2)N 1 1.364 5 0 0 -2.57241410313803 597583 CC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCCO 1 2.426 5 2 0 -8.19833079840374 597578 C1COCCN1C2=NC(=O)N3CCOC3=N2 1 0.426 4 3 0 -5.06261927559333 597546 C1=CC(=CC=C1OCCSC2=NC3=C(N2)C(=NC=N3)N)Cl 1 2.934 5 1 -1.89533814845153 597545 CC1=CC=CC=C1OCCSC2=NC3=C(N2)C(=NC=N3)N 1 2.756 5 1 -3.37891855561243 597482 CC1=CC(=O)OC(=C1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C 1 3.81 2 3 -13.8660567120429 597462 CCOC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.32 4 5 0 -12.1597520330542 597406 C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)C3=CC=CO3 1 2.443 3 2 -7.92944178395995 597400 C1=CC=C(C=C1)COCCNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.02 1 2 -14.1281317557782 597363 CC(=O)NC1=C(C2=NON=C2C(=C1)OC(=O)C)OC(=O)C 1 5.5e-002 3 6 0 -6.2621680017403 597354 CC(=O)C(=C(N)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C 1 2.674 3 2 -7.12151619114797 597339 C1=CC(=CC=C1[N+](=O)[O-])OCCOCCOC2=CC=C(C=C2)[N+](=O)[O-] 1 3.103 2 7 0 -3.91687646610405 597279 CCOC(=O)C1=C(SC(=C1C)C(=O)C)N 1 1.591 1 3 0 -1.32444156605272 597278 C1COC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCOC3=C(C=CC(=C3)[N+](=O)[O-])OCCO1 1 2.758 2 10 0 -3.838588207233 597266 COC(=O)C1=NC=CC2=C1NC3=CC=CC=C23 1 2.456 2 2 -1.95773627076028 597213 CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.87 2 2 2.6563873003113 597191 CC(C)C1=CC=C(C=C1)CNC(=O)C2CC(=O)N(C2)C3CCCCC3 1 3.369 2 2 -15.5349718243758 597171 CC1=C(C=C(C=C1C(=O)O)N)N 1 0.452 2 2 0 -1.80159461642191 597115 CC1(C(OC(=O)C(C1=O)(C)C)C2=CC(=C(C=C2)OC)OC)C 1 3.204 0 5 -7.92699836570207 597065 CC1=CC(=O)N2C=CSC2=N1 1 0.395 2 1 0 -11.2345087835564 597032 CC1=C(C=C(O1)CC(C)C)C(=O)NC2=CC=CC3=CC=CC=C32 1 4.292 1 2 -1.46382125410825 597015 COC1=C(C(=CC=C1)OC)C(=O)NCCC2=CC=CC=C2 1 2.91 1 3 -8.71638556770422 597008 C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3O2 1 2.901 2 2 -10.0208025287071 597002 COC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)OC 1 1.438 2 3 0 -14.4241571856456 597000 CC1=CC=C(C=C1)NC(=O)C2=C3CCCCC3=CS2 1 4.567 1 1 -4.04106587186135 596995 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)O 1 2.684 2 3 0.747486689094881 596935 C=CCNC(=O)C1=C2CCCCC2=CS1 1 3.121 1 1 -11.0302900267058 596895 COC1=CC(=C2COC(=O)C2=C1)OC 1 1.406 0 4 0 -3.38739265033036 596881 C1CC2=C(C1)SC(=C2C(=O)N)N 1 0.799 2 1 0 -2.73913941343295 596879 CC(=NNC1=NC(=CS1)C(=NOC)C(=O)O)C 1 0.165 4 3 0 -7.00566292429462 596877 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC 1 3.61 2 4 -5.04774356587175 596838 CC1=C(C=C(O1)C(C)(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)O 1 3.5 1 4 -11.5470699374216 596805 C1CCN(CC1)C(=O)C2=C3CCCCC3=CS2 1 3.627 1 1 -5.51017967427242 596800 C1CCC(C1)NC(=O)CSC2=NC3=C(N2)C=CC=N3 1 1.935 4 1 0 -11.371968462449 596777 CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=C(C=C2)OC)OC 1 1.887 1 5 0 -9.55317936516313 596773 CCOC(=O)C1=CC=C(O1)CNC(=O)C2=C(OC(=C2)C(C)(C)C)C 1 3.24 1 5 -10.7144203501786 596683 COC1=C(C=C(C=C1)C(=O)NCC(=O)NN=CC2=CC=CO2)OC 1 1.105 3 5 0 -17.6606419814221 596635 COC1=C(C=C(C=C1)C(=O)CSC#N)OC 1 1.95 1 3 0 -6.77752760991452 596574 CC1=C(C=C(O1)C(C)(C)C)C(=O)N2CCCC2C(=O)O 1 2.262 1 4 -8.75631523447254 596564 CC(C)C(=O)NNC1=NC2=CC=CC=C2S1 1 2.09 3 1 -2.92787808670017 596558 C1CN(N=C1C2=CC=CS2)CCC(=O)C3=CC=CS3 1 2.889 2 1 -4.1439567132264 596556 CC1CN(CC(O1)C)C(=O)C2=C(C=CC=C2OC)OC 1 1.653 1 4 0 -11.433502778864 596488 CCC(=C1C(=O)CC(CC1=O)(C)C)NCCC2=CC(=C(C=C2)OC)OC 1 3.078 1 4 -15.302558925253 596425 CC1=C2C(=CC=C1)NC(=N2)SCC(=O)N3CCOCC3 1 1.868 3 2 0 -8.08409628370234 596395 C1=CC(=CC(=C1)Br)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-] 1 3.138 3 3 -9.39185152885933 596384 COC1=CC=C(C=C1)N=C2N(C(=O)CS2)CCC3=CC(=C(C=C3)OC)OC 1 3.943 2 4 -8.79074328481504 596368 CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C)(C)NC3=CC(=CC=C3)OC 1 4.054 5 1 -7.70310283269911 596278 CC(C)(C(=O)NC1=NC=CC=N1)OC2=CC=C(C=C2)Cl 1 2.652 3 2 -2.69160162702205 596243 CC1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2)[N+](=O)[O-] 1 3.469 4 3 0 -4.30171139408502 596209 CN(C)CC1=C(C=CC(=C1)CCNC(=O)C2=CC=C(C=C2)Cl)O 1 3.438 2 2 1.08115865899886 596204 CC1=NC2=C(S1)C=CC(=C2)NC(=O)C 1 1.294 2 1 0 -5.79171065328425 596194 CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2 1 0.694 3 4 0 -7.93641124950739 596163 CC1=C(C2=C(O1)CCCC2)C(=O)NC3=CC=CC4=CC=CC=C43 1 4.155 1 2 -9.27644425973208 596162 C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=CS3 1 2.68 0 5 -14.7204576491893 596160 CC1=C(C2=C(O1)CCCC2)C(=O)NC3=CC=C(C=C3)C(=O)O 1 2.877 1 4 -10.3557340161433 596156 CC1=CC(=NC(=C1C#N)SCC2=NC3=CC=CC=C3N2)C 1 3.7 4 0 -9.57745261485887 596154 CC1=C(C2=C(O1)CCCC2)C(=O)NC3=CC=CC=C3OC 1 3.23 1 3 -11.8318112521811 596134 CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3O)C 1 5.259 0 1 0.943813213270356 596113 C1CN(CCN1)C2=C(C=C(C=C2)C#N)F 1 1.498 3 0 0 -3.58884286210665 596095 CCOC(=O)C1=C(NN=C1)C(F)(F)F 1 1.711 2 2 0 -4.18379197477082 596046 CC1=C(C2=C(O1)CCCC2)C(=O)NC(CCSC)C(=O)O 1 1.963 1 4 0 -20.6745918414037 596038 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=C(C=CC(=C3)OC)OC 1 2.647 3 3 -6.27155399223675 596005 C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 0.826 6 2 0 -9.78626149343989 596004 COC(=O)C1=CC=C(C=C1)C(=O)NN 1 0.195 2 3 0 -6.25052017308225 595983 C1=CC(=CC=C1C2=NN=C(O2)CC3=NN=C(O3)C4=CC=C(C=C4)F)F 1 3.205 4 2 -2.55806943928298 595954 C1=CC2=NC=CN2C=C1[N+](=O)[O-] 1 0.464 3 2 0 -3.04997516495497 595876 CC1=CC2=C(N=C(N=C2O1)NN=CC3=CC=CC=C3)C 1 2.484 4 1 -3.56314064078034 595875 COC1=CC(=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)Br)OC 1 3.399 2 3 -3.85468115396545 595871 CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 0.856 2 3 0 -19.3926013707399 595855 COC(=O)N1C2=CC=CC=C2N=C1SC 1 3.062 2 2 -0.390158548141452 595810 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CO3 1 2.252 2 3 -2.79467412648683 595780 CN1C=C(C2=CC=CC=C21)SCC(=O)O 1 2.352 1 2 -7.5030704958668 595723 C1=CC(=C(C=C1Cl)Cl)OCC(=O)NC(CC(=O)O)C(=O)O 1 1.548 1 6 0 -13.0353292829177 595720 CC1=C(C2=C(O1)CCCC2)C(=O)NCCCC(=O)O 1 1.721 1 4 0 -18.3098296719648 595655 C1=CC=C2C(=C1)C(=CO2)C(=O)O 1 1.763 0 3 0 0.397812944687661 595583 CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=O)C 1 2.289 2 2 -10.763027289105 595570 CC1=CC=C(C=C1)C(=O)NCCOC2=CC=C(C=C2)Cl 1 3.82 1 2 -4.64819300513945 595568 CC1=C(C2=CC=CC=C2N1)SC(C(=O)OC)(F)F 1 3.714 1 2 5.29716485805932 595481 CC(=NNC(=O)C1=CN=CC=C1)CC2=CC=CC=C2 1 1.538 3 1 0 -9.40974920048032 595272 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC=NN2 1 2.316 4 1 -4.71485319049344 595285 C1=CC=C2C(=C1)N=C(S2)CCS(=O)(=O)C3=CC=C(C=C3)Cl 1 4.129 1 2 -3.09736885753826 595321 C1=CC2=C(C(=C1)SCC(=O)NN=CC3=CC=C(C=C3)F)N=CC=C2 1 3.468 3 1 -8.14459302024757 595258 CC1=CC2=C(N1C)C=CC(=C2)OC(=O)C 1 2.242 1 2 -2.1629173027322 595230 C1=CC(=CC2=C1C=CN2)C(=O)O 1 1.753 1 2 0 -2.27991907357689 595212 CN(C)C1=CC=C(C=C1)C2NCC(O2)CCl 1 2.111 2 1 -3.66858089272722 595193 CCN1C2=CC=CC=C2N=C1N 1 1.695 3 0 0 3.04944420119669 595142 CC1=C(C(=O)NC(=C1CSC2=NC=CC=N2)C)C#N 1 1.303 4 1 0 -11.002390864889 595083 CC1=CC=C(C=C1)S(=O)(=O)N=C(CCl)N2CCOCC2 1 1.051 2 3 0 -8.76877624761812 595041 CC1(C(=[N+](C(N1O)(C)C)[O-])C2=CC=C(C=C2)OC)C 1 1.01 2 3 0 6.06141665789817e-002 595031 CC1=C2C(=O)C=CC=C(C2=C(O1)C)OC 1 1.422 0 3 0 0.66689437409895 595010 CCCCOC1=CC=CC(=C1)C2(CCCC2)C(=O)O 1 4.227 0 3 -4.05722235016887 594943 C1CC(=O)NC2=C(C1=O)OC3=CC=CC=C32 1 1.335 1 3 0 -4.35446885562881 594870 C1CCC2=C(C(=O)N=CN2CC1)C#N 1 0.757 3 1 0 -7.51646230639745 594866 CC1=C2COC(CC2=C(C(=O)N1)C#N)(C)C 1 0.41 2 2 0 -11.6374719113913 594820 C1CN(CC2=CC=CC=C21)C(=O)NC3=CC(=CC=C3)Cl 1 3.474 2 1 -6.10972045762026 594800 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC3=NC(=NO3)C4=NON=C4N 1 1.536 6 4 0 -5.81566411108993 594763 C1=CC=C(C=C1)C2=CC(=O)NN2 1 0.464 2 1 0 -1.76167476483353 594743 C1COCCN1C(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 6.4e-002 2 4 0 -12.8150133408839 594742 C1COCCN1C(=S)SCCN2CC3=CC=CC=C3C2=O 1 2.708 2 2 -12.3912949356556 594724 C1=CC=C(C=C1)N2C=CC(=O)N2 1 1.013 2 1 0 -3.90900040038084 594662 CC1(C2=CC=CC=C2N(C13C=NC4=C(O3)C=CC5=CC=CC=C54)C)C 1 5.102 2 1 -10.9724266784476 594652 C1=CC=C2C(=C1)N(C(=O)O2)CC3=CC(=CC=C3)C(F)(F)F 1 4.071 1 2 5.06097067527427 594620 CCN1C(=NC2=C1C=CC(=C2)S(=O)(=O)C(F)(F)F)C 1 3.823 2 2 -1.09591291906893 594596 COC1=CC(=NC2=CC=CC=C21)C(=O)O 1 2.058 1 3 -2.3021225652392 594577 CC1(CC2=CC=CC=C2C(=N1)NCCCC(=O)O)C 1 2.006 2 2 -9.36867392081809 594518 CCN1C2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4S3 1 4.844 3 0 -2.74303604093128 594510 CCN(CC)C1=NC=NC2=C1N=CN2CC3=C(C=CC=C3Cl)Cl 1 3.662 5 0 -5.51495486587226 594493 CCN(CC)C1=C2C(=NC=N2)N(C=N1)CC3=C(C=CC=C3Cl)Cl 1 4.282 5 0 -6.03823678487057 594470 C1CC2=NON=C2C(=NOCC3=C(C=C(C=C3)Cl)Cl)C1 1 3.61 3 2 1.24166517344806 594394 CC1=NC2=CC=CC=C2C=C1O 1 2.056 1 1 4.27794717230661 594337 C1CC2=CC=CC=C2N(C1)C3CC(=O)N(C3=O)C4=CC=CC=C4 1 3.219 2 2 -2.52734752238976 594242 CC(=O)NC1=NN(C=C1)C2=CC=CC=C2 1 1.715 3 1 0 -0.114235205597103 594201 CC(=O)NC1=NON=C1C2=NC3=CC=CC=C3N2C 1 1.368 5 2 0 -4.47790175237906 594144 CC1=CC(=CC(=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C=O)C 1 3.697 2 2 -6.44204656640234 594148 C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)N)Cl 1 3.294 5 0 -7.3840772782643 594152 CC(=O)N1CCN(CC1)C2=NC=NC3=CC=CC=C32 1 0.686 4 1 0 2.74581478326422 594190 C1=CC2=C(C=CC(=C2N=C1)O)CN3C=CN=C3 1 1.45 3 1 0 4.01671147860382 594175 COC(=O)CCC1=CC(=CC=C1)CCC(=O)OC 1 2.522 0 4 -7.21766441843896 593984 CC1C(=O)N=C(S1)NN=C2CCC(CC2)C(C)(C)C 1 3.326 3 1 -10.399633634678 593970 C1=CC=C(C=C1)C2=CC=C(O2)CCC(=O)O 1 2.734 0 3 0.561377222873874 593958 CC1=CC=CC2=C1NC3=C2CN(CC3)C 1 2.763 2 0 5.12412149365094 593930 CC1C2=C(CC(N1)C(=O)OC)C3=CC=CC=C3N2 1 2.14 2 2 -7.1311280998241 593928 C1CSC(C(=O)N1)CC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.022 2 2 -15.6491327047499 593923 CC1=NN(C(=C1Cl)C(=O)NN)C 1 0.228 4 1 0 -2.87729909289652 593739 COC(=O)C1=C(C2=CC=CC=C2N1)CN3CCOCC3 1 2.031 2 3 -3.16207277688209 593668 CC1=CC(=O)N=C(N1)SCC(=O)NC2CCCCC2 1 1.886 3 2 0 -22.1336662242982 593655 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 1.255 5 4 0 -18.6266009282102 593654 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 1.12 5 4 0 -18.2554864888204 593634 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl 1 3.369 2 4 -12.778626801968 593552 CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)F 1 1.325 4 1 0 -17.3108786545198 593548 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)OC 1 1.386 2 6 0 -20.5253569254697 593546 CCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC 1 2.565 1 4 -17.1579795587185 593535 CCN(CC)CC1=C(C(=O)C=C(O1)CO)O 1 -0.109 1 4 0 -1.80379721185539 593461 C1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C=C2 1 3.069 1 1 -1.80603655224453 593452 CC1=CC(=C(C=C1C(=O)N2CCCC2)F)F 1 2.602 1 1 -3.2576298398054 593441 C1=CN(N=C1)C2=C(C=C(C=C2)[N+](=O)[O-])C3=NNN=N3 1 1.42 7 2 0 -1.58110735997942 593408 CCOC(=O)CC(C#N)C1=CNC2=CC=CC=C21 1 2.252 2 2 -5.26943791283826 593390 C1=CC=C2C(=C1)C(=O)N(N=N2)C3=CC=C(C=C3)Br 1 4.157 3 1 -12.8258282804368 593359 CCC1=NN=C(S1)N2C(=O)CSC2=N 1 1.284 4 1 0 -10.4592351052951 593268 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=NC=C(C=C3)Br 1 3.66 2 1 -4.07509585104634 593266 C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-] 1 4.487 3 3 1.2573329396619 593193 CCOC(=O)CSC1=NC(=O)C=C(N1)C 1 1.023 2 3 0 -20.2449363485608 593182 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC3=C(C=C2)OCO3 1 1.837 2 5 0 -12.2722859899141 593124 CC1=CC(=C(C(=C1)C(=O)N2CCOCC2)F)F 1 1.828 1 2 0 -6.38977404078266 593113 CCCC(=O)C1C(=O)NC(=O)NC1=O 1 -0.218 2 4 0 -11.7051332502702 592926 CC1(CC1(Br)Br)C(=O)NC2=NC=CS2 1 1.782 2 1 0 -4.79056667373048 592789 C1=CC=C2C=C(C=CC2=C1)C=NO 1 2.565 1 1 4.91623471022927 592788 CC1=CC(=NC(=N1)SCC(=O)NC2=NON=C2N)C 1 0.451 6 2 0 -16.5724223675782 592766 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=C(C=C2)OC)OC 1 2.551 2 5 0 -10.1042325930838 592744 C1=C(C=C(C(=C1O)O)O)C(=O)NN 1 -0.386 2 4 0 0.721176956460189 592734 C1CC(=O)C(=C(CC2CC(=O)NC(=O)C2)N)C(=O)C1 1 -1.052 2 4 0 -9.94712744618201 592718 CC1=NC=C(C=C1)C(=O)NN=CC2=CC=CC3=CC=CC=C32 1 2.723 3 1 -5.24310177838716 592661 CC1=CC(=NC(=N1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C 1 2.829 3 3 -7.93622437130921 592640 CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)C 1 0.939 2 2 0 -27.5828007372897 592588 C1=CC(=CC(=C1)Cl)N2C(=NN=N2)SCCCC#N 1 2.764 5 0 -12.2035469012016 592527 C1=CC=C(C=C1)CCSC2=NC=NC3=C2NC=N3 1 2.748 4 0 -1.79912779898484 592486 C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=O)CSC4=CC=CC=N4 1 3.9 2 2 -11.2727515833076 592408 C1COCCN1C(=O)CSC2=CC=CC=N2 1 0.713 2 2 0 -12.7305017030337 592389 CC(=O)N1CC2(CC(C1)(CN(C2)C(=O)C)C)C 1 -0.203 2 2 0 -4.48584219912638 592265 C1CCN2CCCC(C2C1)COC(=O)NC3=CC=CC=C3 1 3.233 2 2 1.83762370547964 592182 CN(CC1=C(C=C(C=C1)OC)OC)C(=O)C2=CN=C(C=C2C(F)(F)F)OC 1 3.109 2 4 -4.78360871438606 592210 COC1=C(C=C(C=C1)CNC2=NC=CS2)OC 1 1.714 2 2 0 -5.3727892815754 592205 COC1=C(C=C(C=C1)CNC2=NNN=N2)OC 1 1.087 5 2 0 -6.31536431264946 592173 CCCOC1=C(C=C(C=C1)C(=O)N2CCCC2)OC 1 2.544 1 3 -9.29339002958698 592152 C1=CC(=C(C=C1C2=NNN=N2)N)F 1 0.758 5 0 0 2.70410400259937 592122 C1CN(CCN1)C2=NC3=CC=CC=C3S2 1 1.419 3 0 0 0.708773998167981 592056 C1=CC=C(C(=C1)NCCNC(=O)C2=CC(=C(C=C2Cl)F)F)[N+](=O)[O-] 1 3.465 3 3 -8.44010733575381 592024 CCC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=O)CC3=C(C=C(C=C3)OC)OC 1 3.595 2 5 0 -4.612946576472 591904 CC(=O)NC1=CC2=NSN=C2C=C1 1 1.078 3 1 0 -1.05879222995932 591872 CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 1.551 2 5 0 -11.869323757557 591868 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CC=CC=C3 1 2.546 2 3 -14.0684288603013 591859 CCOC(=O)C(C(F)(F)F)(NC1=NC2=CC=CC=C2S1)NC(=O)OCC 1 3.431 3 4 0 -6.30660007926423 591827 C=CCC1CC=CC(N1C(=O)C2=CC=CC=C2[N+](=O)[O-])CC=C 1 3.679 2 3 -18.9452789485516 591823 CC1(COC(OC1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O 1 1.473 1 6 0 -5.36384876776046 591795 C1COCCN1C(C#N)C2=CC=C(C=C2)Cl 1 2.121 2 1 -0.855403037091254 591773 CC1=CC(=C(C(=C1C(=O)OC)O)C=O)O 1 1.447 0 5 0 -2.60256177294646 591751 CC(C)C1=CC(=O)N2C(=N1)N=C(N2)N 1 -0.205 5 1 0 -3.43824137386156 591643 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)OC 1 2.059 1 6 0 -9.08755633777931 591614 COC1=CC=C(C=C1)C(=O)CC(C2CCCCC2=O)C3=CC=CC=C3 1 4.453 0 3 -6.47372721243141 591517 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CC(=C3)C 1 2.711 2 3 -12.0410590129842 591492 C1=CC(=CN=C1)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.427 4 3 0 -6.79948952523072 591423 CC1(CCC(=O)O1)C(=O)CSC2=NC3=CC=CC=C3N2 1 2.42 2 3 -4.99723808171063 591407 C1CCC2=C(C1)N=C(N=N2)N 1 0.885 4 0 0 -1.22155496426176 591403 C1=CC=C(C=C1)CC(=O)NC2=NC3=CC=CC=C3S2 1 3.274 2 1 -3.23932895632085 591367 CCOC1=CC=CC=C1N2CCN(CC2)CC3=CC=CO3 1 3.047 2 2 1.50628379880827 591342 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NN=CC2=CC=NC=C2 1 1.427 4 3 0 -8.33602351450795 591299 CC(C(=O)O)SC1=NC2=CC=CC=C2N1 1 2.394 2 2 -5.05596621051643 591296 CC(C)COC(=O)N1C2=CC=CC=C2N=C1SCC(=O)N(C)C 1 3.519 3 3 -10.7783088965886 591202 COC(=O)C1=CC=C(C=C1)CSC2=NCCS2 1 3.298 1 2 -12.5023485837466 591194 COC(=O)C1=CC(=CC=C1)CN2C=C(C=N2)[N+](=O)[O-] 1 1.813 3 4 0 -11.7690986940066 591182 C1=CC=C2C(=C1)N=C(S2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.837 3 4 0 -4.52570811244846 591127 CC1=CC(=NC(=C1C(=O)O)Cl)C 1 1.951 1 2 0 -2.42792675412855 591105 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC=N3 1 1.771 2 3 0 -5.82365872796801 591049 C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)F 1 2.298 1 4 -2.75126542153205 591039 CCSC1=NC2=CC=CC=C2N1C(=O)OC3=CC=CC=C3 1 4.987 2 2 -3.73158509755034 591025 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C4=CC=CC=C4C2=O 1 3.94 1 3 -5.17390662896646 591008 CC1CCCN(C1)C(=O)CN2N=C(N=N2)C3=CC=CC=C3F 1 2.213 5 1 -8.36580617183076 591006 C1=CC=C(C(=C1)C2=NN(N=N2)CCC#N)F 1 1.689 5 0 0 -1.70767179278913 590998 CCOC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)O 1 1.654 1 4 0 -8.82416966464679 590988 CCOC1=CC=C(C=C1)C(=O)NC2=NC=NN2 1 1.248 4 2 0 -8.47217670045691 590977 CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O 1 2.576 1 4 -8.64465121720074 590962 CC(C)N1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)OC)O 1 3.569 2 2 -3.5428602563424 590957 CC1=CC=CC(=C1)C2=NN=C(S2)N 1 1.968 3 0 0 4.06554607662687 590954 C1CCN(CC1)C(=O)CN2N=C(N=N2)C3=CC=CC=C3F 1 1.893 5 1 0 -7.58238661995242 590887 CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C=O)OC)[N+](=O)[O-] 1 3.52 1 5 -10.1419143787622 590865 CC1CN(OC(O1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4 1 2.706 1 5 -6.79290604381836 590845 CN(C)C1=C(C=NC=C1)C(=O)NC2=C(C=C(C=C2)F)F 1 2.037 3 1 -5.63685102574525 590794 CC1=CC(=NC(=N1)NC(=NC(=O)C)NC2=C(C=C(C=C2)[N+](=O)[O-])C)C 1 2.255 6 3 0 -9.32301249202988 590731 C1=CC2=C(C=C1NC(=O)C(F)(F)F)NC(=O)N2 1 0.901 3 2 0 -11.8446785056751 590730 CCC1=CC=C(C=C1)C(C)NC(=O)C2=NC=NN2 1 2.108 4 1 -7.69547197899567 590707 C1=CC=C2C(=C1)C(=CN2)SCC(=O)O 1 2.146 1 2 -5.2337633574005 590703 C1=CC=C2C(=C1)N(C(=O)O2)CCCC#N 1 1.846 2 2 0 -2.88757032500258 590694 CCOC(=O)C1=C(C(=C(N1)C)C(=O)C(C)C)C 1 2.92 1 3 -8.65906175346896 590575 CC1(CC(=O)NC1=O)C2=CC=C(C=C2)OC 1 1.102 1 3 0 -7.21730027062638 590523 CC(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2(CC4=CC=CC=C4)O 1 4.243 1 2 -1.32354152645227 590528 C1=CC(=CC=C1CNC2=CC3=C(C=C2)NC(=O)N3)F 1 2.29 3 1 -8.25930038936023 590551 CCC1=CC=CC=C1NC(=O)C2C(C2(Cl)Cl)C3=CC=CC=C3 1 4.368 1 1 -1.05501240862201 590477 C(CO)NC(=O)C(C(C(=O)NCCO)O)O 1 -3.586 2 6 0 -8.24473894075016 590400 CN(C)C1=CC=C(C=C1)C2CC(=CC(=O)C2)NC3=CC=CC=C3N 1 2.945 3 1 -11.7636851646803 590355 COC1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4CCCCC4 1 4.496 2 2 -6.62729425900419 590338 CCOC(=O)NNC1=NC=CC(=C1)C(F)(F)F 1 1.658 3 2 0 -0.124937720742437 590220 CN1C=C2C=CC(=CC2=N1)N 1 1.07 3 0 0 5.58679457401399 590148 CCOC(=O)C1CC2=CC=CC=C2C(=O)O1 1 1.951 0 4 0 -6.62911110843402 590147 CC1=CC(=C(C(=C1)C)C(=O)CSC2=NN=C(S2)C)C 1 3.82 2 1 -12.97204291732 590133 C1COCCN1C(=O)CN2N=C(N=N2)C3=CC4=C(C=C3)OCO4 1 0.226 5 4 0 -8.83632072298541 590107 CC1=CC(=C(C=C1)C)NC(=O)C2CC(CN2C(=O)OC3=CC=CC=C3)O 1 2.914 2 4 -4.84792825850982 589897 CN1C2=CC=CC=C2N=C1CC(C3=C(C(=CC=C3)OC)OC)O 1 2.967 2 3 1.37473766081401 589891 C1=CC=C(C=C1)C(=O)NCC2=CN3C=CC=CC3=N2 1 1.577 3 1 0 -12.4976968815259 589876 CC1(C(N(C(=S)S1)C2=CC=CC=C2)N(C(=O)NC)O)C 1 3.678 3 2 -7.71314698396344 589850 C1C(C2=CC=CC=C2NC1=O)C(=O)O 1 0.46 1 3 0 -9.88413404144577 589822 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NCC3=CC=CC=C3 1 1.683 3 2 0 -14.5543177604367 589814 C1=CC=C(C(=C1)NC(=O)C2=C(C=CC(=N2)Cl)Cl)O 1 3.188 2 2 -2.91578784756478 589795 CN1C2=CC=CC=C2N=C1CC(C3=CC=C(C=C3)N(C)C)O 1 3.162 3 1 1.50375865294474 589767 CC1=NN(C(C1)(C)C)C(C#N)C2=CC=C(C=C2)OC 1 1.82 3 1 0 -2.56549716288115 589746 COC1=CC=C(C=C1)C(C#N)N2CCC(=N2)C3=CC=CC=C3 1 2.911 3 1 -0.20618252326369 589636 CC1=NN(C(C1)C2=CC=CC=C2)C(C#N)C3=CC=C(C=C3)OC 1 2.849 3 1 0.344446021252417 589610 CCOC1=CC=C(C=C1)C(CC2=NC3=CC=CC=C3N2C)O 1 3.333 2 2 2.98585567070523 589609 CN1C2=CC=CC=C2N=C1CC(C3=CC=CC=C3OC)O 1 2.984 2 2 0.530205747248812 589606 CC(C)N1C(=O)C2=CC=CC=C2N=N1 1 2.558 3 1 -11.9520909215628 589580 CC1=NN=C(S1)SCC(=O)O 1 0.587 2 2 0 -16.4182718424866 589574 CCCCCC1CC1C(=O)NN=CC2=CC=C(C=C2)N(C)C 1 4.015 3 1 -5.92084714949066 589534 CN1C2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4N3C 1 4.133 4 0 -2.71166366353916 589495 CC1=C2C(=O)C=CN=C2C3=NONC3=N1 1 -0.424 4 2 0 -5.2230063431 589480 CC(=O)NC1=NC2=CC=CC=C2N=C1 1 0.953 3 1 0 -0.255246152047326 589469 CC1=CC=C(C=C1)C2=[N+](C(N(C2(C)C)O)(C)C)[O-] 1 1.512 2 2 0 0.473580375723122 589449 C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)C3=CC4=CC=CC=C4O3 1 4.186 2 2 1.41556217308933 589416 C1=CC=C2C(=C1)N=C(O2)CCS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl 1 4.235 1 3 -5.88726464011869 589412 C1=CC=C2C(=C1)N=C(O2)CCS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.571 1 3 -4.26146843901627 589406 CN1C2=CC=CC=C2N=C1CSC3=NC4=C(N3)C=C(C=C4)Br 1 4.675 4 0 1.52251493254376 589404 C1=CC=C2C(=C1)C(=O)N(C(=N2)COC3=CC(=CC=C3)Cl)N 1 2.501 3 2 -4.20497225676043 589400 CC1(C2(C3=CC=CC=C3CCN2C(=O)O1)C)C 1 2.515 1 2 -6.19889974019199 589347 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3C 1 2.832 5 3 0 -5.15886141298761 589337 CC(=NOC(=O)C1CC1C2=CC=CC=C2)C3=CC=CC=C3 1 3.502 1 2 -3.88087803198327 589306 C1=CC=C(C=C1)C2=NN=CN2O 1 -0.566 3 1 0 0.901257529735012 589300 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)F 1 3.713 1 2 -8.87391093802161 589277 COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC3=CC=CC=C3O2 1 2.153 2 5 0 -4.60177151217301 589272 CCOC(=O)C1=C(N(N=N1)C2=NON=C2OC)C3=CC=CC=C3 1 2.897 5 4 0 -16.9137276195487 589249 CCCCOC(=O)C1=NN=C(O1)C2=CC=CC=C2 1 2.719 2 3 -2.54304226752163 589161 CNC(=O)CCC1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3 1 3.811 2 1 -2.80761897258785 589142 CCOC(=O)C1=CC(=NN1)C2=CC=C(C=C2)OC 1 2.7 2 3 -0.681957891369582 589138 C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3N2 1 3.199 2 1 1.95099363150878 589128 CC1(CC2=CC=CC=C2C3N1C(=O)C(C3)O)C 1 1.193 1 2 0 -1.72397416101756 589080 COC1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=O 1 3.704 1 3 -2.09794351827361 589126 C1=CC=C2C(=C1)C(=CN2)C(=O)C(F)(F)F 1 2.951 1 1 -1.59752379464587 589107 CC1=C(C2=CC=CC=C2N1)CC(=O)O 1 1.933 1 2 0 -1.24525592761159 589102 CCCN1C2=CC=CC=C2N=C1C3=NON=C3N 1 2.374 5 1 -2.13693744092731 589052 C1C(C=CS1(=O)=O)NC2=CC=CC=C2 1 1.019 1 2 0 1.67224663054263 589050 C1=CC=C2C(=C1)NC(=N2)CCS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.56 2 2 -5.14555518138278 589049 C1=CC=C2C(=C1)NC(=N2)CCS(=O)(=O)C3=CC=C(C=C3)Br 1 3.644 2 2 -6.60221492648422 589024 CCOC(=O)C1=NC2=CC=CC=C2N=C1C 1 2.209 2 2 -5.19127355631283 588980 CC1=CC(=CC=C1)CC(=O)C2=CNC3=CC=CC=C32 1 4.048 1 1 3.51614707880581 588898 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC=CO3 1 2.625 3 3 -8.02353534232985 588867 CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)Cl)Cl 1 3.94 2 1 -4.91029151972693 588851 C1=CC(=C(C(=C1)Cl)CSC2=NC=C(C=C2)[N+](=O)[O-])F 1 4.108 2 2 -7.82434311056551 588845 C1=CC(=CC=C1C2=NN(N=N2)CC3=C(C=C(C=C3)F)Cl)F 1 4.164 4 0 4.03469889943285 588824 CCN1CCC2=C(C1)C3=CC=CC=C3N2 1 2.625 2 0 1.40768614215003 588806 CC1=NC2=CC=CC=C2C(=N1)SCCC(=O)O 1 2.154 2 2 -8.23760531800774 588745 C1=CC=C2C(=C1)N=C(N2CC3=C(C=C(C=C3)F)Cl)C4=NON=C4N 1 3.955 5 1 -2.20433028932206 588704 CCC1=NC(=NN1)SCC(=O)NC2=NOC(=C2)C 1 1.355 5 2 0 -18.3461034184545 588682 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=CC=CC=C3N=C2 1 2.99 2 2 0.503484905441609 588601 C1=CC=C(C=C1)CNC(=O)CSCC(=O)NC2=CC3=CC=CC=C3C=C2 1 2.983 2 2 -11.4124744063931 588543 C1COCCN1C(=O)CCS(=O)(=O)C2=CC=C(C=C2)F 1 0.763 1 4 0 -14.5880896636343 588540 CNC1=NN=C(C=C1)Cl 1 0.96 3 0 0 -3.83747144181613 588524 CCCCCC(=O)NC1=CC2=CC=CC=C2C=C1 1 3.894 1 1 -6.26841903391527 588415 CCCCCC1CCC(CC1)C(=O)N2CCOCC2 1 3.47 1 2 -11.7566278392399 588271 CC1=C(C=C(C=C1)Cl)NC(=O)C2CCCCC2C(=O)O 1 3.412 1 3 -2.63879098053249 588246 C1CCN(C1)C(=O)C2=C(C=CC=C2F)F 1 2.115 1 1 -6.4341467921702 588244 C1=CC=C2C(=C1)C=CC=C2CN3C=CN=C3 1 2.415 2 0 1.76696536347778 588101 CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NC=CN2C 1 2.667 2 2 -8.6644327438701 588093 C1CCN(C1)C(=O)C2=C(C(=CC=C2)F)F 1 2.115 1 1 -4.9002158880414 588090 CS(=O)C1=CC=CC=C1O 1 1.018 0 2 0 4.83256395128153 588086 CC(=O)C1=CC=CC=C1OC(=O)C2=C(C=CC=C2F)F 1 3.412 0 3 -7.68148929230849 588080 C1=CC(=C(C=C1F)F)C(=O)CN2C=NC=N2 1 1.462 3 1 0 -7.31618332383727 588033 CC(C(=O)NC(C)C(=O)OC)NC(=O)OCC1=CC=CC=C1 1 1.335 2 5 0 -13.3303512407275 588017 CC1=CC(=NC(=N1)SCC(=O)NCC2=CC=CO2)C 1 1.504 3 2 0 -17.144795799161 588007 C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2 1 2.194 1 4 -3.3529892276526 588000 CC1=CSC(=N1)NC(=O)C2CCCN2C(=O)OC3=CC=CC=C3 1 2.312 3 3 -8.98069800245543 587937 C1=CC(=NC=C1[N+](=O)[O-])OCCO 1 0.557 2 4 0 -2.00227111837297 587874 CC1(CC2=C(C(=O)C1)SC(=N2)N)C 1 1.358 2 1 0 -4.68161301147643 587917 C1=CC=C(C(=C1)CNC(=O)NC(=O)C2=CSC(=C2)[N+](=O)[O-])Cl 1 2.746 3 4 0 -9.06811004595085 587910 CC1(CC(CC(N1O)(C)C)N(C)C(=O)C2=CC=NC=C2)C 1 0.774 3 2 0 -5.31775400316478 587850 C1CC2=C(C(=O)C1)SC(=N2)N 1 0.9 2 1 0 -1.34639015677528 587838 CCCC(C)C1(C(=NC(=O)NC1=O)N)CC 1 1.963 3 2 0 -8.2471986584094 587837 CCC(C)C1(C(=NC(=O)NC1=O)N)CC 1 1.507 3 2 0 -6.66992456500529 587825 C1=CC(=CC=C1NCCO)Cl 1 1.763 1 1 0 2.30803733420953 587824 C1=CC(=CC(=C1)Cl)CNC(=O)NC(=O)C2=CSC(=C2)[N+](=O)[O-] 1 2.746 3 4 0 -5.72156391657272 587760 C1=CC=C(C(=C1)C(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)F 1 3.537 3 3 -10.8455707334125 587745 C1=CSC(=C1)C(=O)CCNC2=CC=C(C=C2)Cl 1 3.76 1 1 -3.95696633767319 587741 CC1=C(OC=C1)C(=O)NCC2=C(C=CO2)C(=O)O 1 1.314 1 5 0 -8.07678904640438 587733 CC(=O)ON1C(CC(CC1(C)C)OC(=O)C2=CC=CC=C2)(C)C 1 2.189 1 4 -7.50096909882817 587648 CC1=NC(=C(C(=O)N1)C#N)SC 1 0.315 3 1 0 -5.1980976192447 587596 C1=CC=C2C(=C1)NC(=O)C(=N2)CC(=O)C3=CC=C(C=C3)Cl 1 3.083 2 2 -10.0810492218487 587557 C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3Cl 1 3.566 1 1 -10.0536726476963 587550 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC3=C(N2)C=CC(=C3)OC(F)(F)F)Cl 1 5.24 3 3 2.39813659579296 587549 C1=CC(=CC=C1C(=O)NNC(=O)C2=CC3=C(N2)C=CC(=C3)OC(F)(F)F)Cl 1 5.24 3 3 5.60237987696749 587511 CN1C(=NN=N1)SCC2=CC(=C(C=C2)OC)F 1 1.996 4 1 0 -14.8186548764742 587478 CN(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32 1 1.931 1 5 0 -11.8983344066385 587357 CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2Cl 1 3.485 1 1 -2.78210463551488 587342 CCOC(=O)C(C(F)(F)F)(NC1=CC(=C(C=C1)C)C)NC(=O)C2=CC=CC=C2Cl 1 5.587 2 3 -10.6786958394814 587320 CCOP(=O)(C(=C(Cl)Cl)NC(=O)C1=CC=CC=C1Cl)OCC 1 3.148 1 4 -7.51240700778598 587311 CC1(C(OC(=O)C(C1=O)(C)C)C(=O)C2=CC=C(C=C2)Cl)C 1 3.68 0 4 -0.420079112881976 587295 C1C2C=CC1N(C2(C(F)(F)F)C(F)(F)F)C(=O)C3=CC=C(C=C3)Cl 1 4.352 1 1 0.668189360101365 587257 C1C2(COC(O1)C3=CC=CC=C3Cl)C(=O)NC(=O)S2 1 2.147 1 4 -8.10486624060466 587190 C1CSCCN1C(=O)C2=CC=C(C=C2)Cl 1 2.34 1 1 -2.33567085422737 587182 CC1CCCN(C1)C(=O)CSC2=NC3=C(N2)C=CC=N3 1 1.976 4 1 0 -10.3418521770634 587173 C1=CC=C2C(=C1)N=CN2C(=O)C3=CC=C(C=C3)Cl 1 3.664 2 1 -1.7502163908684 587169 C1=CC(=C(N=C1)Cl)NC(=O)C2=CC=C(C=C2)Cl 1 3.002 2 1 -3.66506964334078 587129 C1=CC=C(C(=C1)C(=O)NC2=CN=CC=C2)Cl 1 2.128 2 1 -4.98385184775053 587037 CC(C1=CC=CC=C1Cl)SC2=NN=C(S2)N 1 3.266 3 0 -3.91866626512801 587019 C1=COC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Cl 1 3 0 4 -6.00679096226473 586998 CC1=CC(=CC=C1)OCCNC(=O)C2=NC=NN2 1 1.323 4 2 0 -6.68312374476709 586929 C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)CCCN4C(=O)C5=CC=CC=C5C4=O 1 1.764 4 4 0 -2.88222737227002 586928 CC1=C(C=C(O1)CN2CCOCC2)C(=O)O 1 -2.487 1 4 0 -1.96199001093992 586918 CC1=CC(=C(C=C1)C)OCC2=CC=C(O2)C(=O)NN 1 2.353 2 3 -3.79064119036591 586912 CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2=NC=NN2 1 2.237 4 2 -5.19683238479458 586902 CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl 1 3.046 1 3 -7.12366680908372 586851 C1OC2=C(O1)C=C(C=C2)OCC(=O)NC3=CC=CC=C3C(F)(F)F 1 3.16 1 4 -7.75860065559834 586837 CN1C(=O)CC(C1=O)N2CCC(CC2)(C(=O)N)N3CCCCC3 1 -0.61 4 3 0 -2.1245267361872 586831 CC1CC(C(CN1C(C)C)C)OC(=O)C2=CC=CC=C2 1 3.348 1 2 -8.86097331639662 586799 CCCOC1=CC=CC(=C1)C(=O)O 1 2.315 0 3 -3.07379221739652 586788 CN(C1=C(SC=C1)C(=O)OC)S(=O)(=O)C 1 0.755 1 4 0 -9.86540090624058 586711 C1C(=C(C(C1(C#N)C#N)(CC(=O)C2=CC=C(C=C2)F)C#N)N)C=O 1 0.504 4 2 0 -3.92492434265719 586709 CC(C)OC1=CC=CC(=C1)C(=O)O 1 2.169 0 3 -4.66105314618947 586701 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC#N 1 0.627 4 2 0 -6.34601268279056 586695 C1CN(CCN1CC#N)CC(=O)C2=CC=C(C=C2)Br 1 2.012 3 1 -3.61136384758023 586663 C1=CC(=CC=C1CCNC(=O)C2=NC=NN2)Cl 1 1.773 4 1 0 -5.68815602301811 586517 CC1=CC=CC=C1SCC(=O)NN=CC2=CC=C(C=C2)F 1 3.768 2 1 -8.29544319706013 586512 CC1=C(C=C(O1)C(=O)OC)CC(=O)C2=C(C=C(C=C2)O)O 1 2.181 0 6 1.25070589923028 586414 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=C(N3)C=CC=N4 1 1.878 4 3 0 -11.1744774724086 586333 CN(C1=CC=C(C=C1)OC)C(=O)CC2(CCCCC2)CC(=O)O 1 2.896 1 4 -4.61336809683363 586278 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)C2=CC(=C(C=C2)O)O 1 2.497 2 4 -4.95344262828183 586276 CCC(=O)NC1=CC=C(C=C1)OCC 1 1.949 1 2 0 -4.6570575097316 586221 CC1=CC(=O)N=C(N1)SCC(=O)NCC2=CC=CO2 1 0.793 3 3 0 -24.5782535377017 586133 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CC=C(C=C3)Cl 1 2.862 2 3 -10.6653921132269 586130 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CCCCC3 1 2.62 2 3 -15.9748431075475 586075 C1COCCOC2=CC=CC=C2OCCO1 1 1.354 0 4 0 -2.50076143776602 586046 CCC(=O)C1=C(C=C(C=C1)NC(=O)C)O 1 1.115 1 3 0 -4.76888062657782 586034 CC1(C2(CN3CC1(CN(C2)C3)[N+](=O)[O-])[N+](=O)[O-])C 1 0.8 4 4 0 -5.82101780588948 585964 C1=CC=C(C=C1)SCCNC(=O)C2=CC(=CN=C2)Br 1 2.826 2 1 -6.1851352827777 585962 CCCCCC1=NNC2=C1CCCC2 1 3.975 2 0 -0.371470283409422 585916 C1COCCOCCOC2=CC=CC=C2OCCOCCOCCOC3=CC=CC=C3OCCOCCO1 1 2.446 0 10 0 -2.50076143776602 585895 CC1=CC=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F 1 3.818 3 3 -8.60475362541887 585868 CC1=C(CC(=O)N1C2=CC=C(C=C2)F)C(=O)OC 1 1.56 1 3 0 -7.67607191505738 585767 CC1C2(CC(C(C1(C(=O)N2)C#N)(C#N)C#N)C3=CC=C(C=C3)OC)O 1 0.483 4 3 0 -3.24550832724662 585750 C1COCCOC2=CC=CC=C2OCCOCCN1C(=O)C(F)(F)F 1 1.84 1 5 0 -8.08356029253003 585708 COC1=CC=CC=C1C(CC(=O)N2CCCC2)C3=CC4=C(C=C3)OCO4 1 3.231 1 4 -10.8045219734688 585653 C1CCC(C1)NC(=O)CSCC(=O)NC2=CC=CC=C2 1 1.893 2 2 0 -11.9358412809076 585642 C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(C=C3)C(=O)O 1 3.652 1 3 -4.66800430205586 585625 CC1=CC(=NC(=N1)NNC(=O)C2=CC(=CC=C2)OC)C 1 1.29 4 2 0 -4.71445480146659 585624 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CN=CC=C4 1 2.362 2 1 -8.22328676863506 585566 C1=CC(=CC(=C1)CN2C=C(C=N2)Cl)C(=O)O 1 2.357 2 2 -5.73230801845135 585564 C1=CC(=CC=C1CN2C=C(C=N2)Cl)C(=O)O 1 2.357 2 2 -5.65256821022855 585548 COCCC(=O)NC12CC3CC(C1)CC(C3)C2 1 1.501 1 2 0 -10.4850035678702 585545 CN1C=NN=C1SCC(=O)C2=CC=C(C=C2)OC 1 1.722 3 2 0 -13.1613029738122 585536 C1OC2=C(O1)C=C(C=C2)CNC3=NC=NN3 1 0.819 4 2 0 -4.70343062641144 585501 COC1=CC=C(C=C1)C(=O)NN=C2CCCC2 1 1.935 2 2 0 -8.57214084519223 585413 C1C2CC3CC1CC(C2)(C3)C(=O)CC4(C(=C(CC4(C#N)C#N)C=O)N)C#N 1 1.18 4 2 0 -2.77942262536156 585384 COC1=C(C=C(C=C1)CSCC(=O)NC2=CC=CC=C2)[N+](=O)[O-] 1 2.893 2 4 -12.8261890574874 585383 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.521 2 2 3.42261045201932 585369 C1C2CC3CC1CC(C2)(C3)OCCNS(=O)(=O)C4=CC=CC5=NSN=C54 1 2.881 3 3 -7.39916614057003 585328 CCOC(=O)C1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3 1 2.811 1 3 -5.26024018378181 585289 C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.069 3 4 0 -13.9406592615175 585193 C1CCC2(CC1)C(=CC(=O)O2)NCCOC34CC5CC(C3)CC(C5)C4 1 3.349 1 3 -3.61656118410794 585189 COC1=CC=C(C=C1)C2OCC3(CO2)C(=O)NC(=O)S3 1 1.467 1 5 0 -6.75215385080752 585128 CC1=CC(=NO1)NC(=O)C2COC3=CC=CC=C3O2 1 1.526 2 4 0 -11.2964916910255 585117 COC1=CC=C(C=C1)C(=O)CC2C(=O)N=C(S2)N 1 1.722 2 3 0 -8.85894750426097 585110 C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=CC=C4F 1 2.968 2 2 -8.25775829017092 585104 C1C(OC2=CC=CC=C2O1)C(=O)NCCO 1 0.271 1 4 0 -6.50163404726627 585002 CC1=CC=C(C=C1)CSCC(=O)NC2=CC=CC=C2 1 3.501 1 1 -9.05674649643125 585034 CCC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=O)CC3=CC=C(C=C3)OCC 1 3.961 2 4 -5.41880711182449 584988 COC(=O)C1=CC=C(C=C1)NN=NC2=CC=C(C=C2)C(=O)OC 1 3.295 3 4 0 4.57701549600394 584977 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C34CC5CC(C3)CC(C5)C4 1 2.411 2 3 -2.65089872773166 584975 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.504 2 4 0 -4.76670457712958 584972 CCOC(=O)C1=C(C=CC=N1)NC(=O)CC(=O)NC2=C(N=CC=C2)C(=O)OCC 1 0.88 4 6 0 -9.79462526254822 584971 C1C2CC3CC1CC(C2)(C3)NC(=O)CCSC4=CC=C(C=C4)Cl 1 4.487 1 1 -4.73066393507575 584960 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4O 1 2.939 1 2 -2.93938602123178 584941 CC1C2CC(C1(C)C)C(=C2NC(=O)C)CNC(=O)C 1 0.522 2 2 0 -6.18884361956392 584914 C1=CC=C(C=C1)CSCC(=O)NC2=CC=CC=C2 1 3.015 1 1 -10.1645928632591 584908 C1C2CC3CC1CC(C2)(C3)S(=O)NCC4=CC=CC=C4 1 3.292 1 1 3.74915034898719 584851 CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC#N 1 3.349 1 1 -0.469319650768441 584792 COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 2.42 1 6 0 -13.0888183669294 584778 C1=CC=C(C(=C1)OCC2=CC=CC(=C2)C(=O)O)Cl 1 3.691 0 3 -2.25428872042531 584690 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC 1 2.93 1 3 -5.78207153160498 584682 COC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC 1 3.207 2 3 -4.28631271874549 584618 CC1=NN(N=N1)C23CC4CC(C2)CC(C4)C3 1 1.983 4 0 0 -0.631409822371609 584517 COC(=O)C1=CC=C(C=C1)N=NN2CCCCCC2 1 3.442 3 2 -0.951913437247109 584509 C1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3 1 3.052 1 1 -2.08529892904103 584475 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3CCCCC3C 1 3.429 2 2 -12.5738622161663 584377 CC1=NC(=CS1)C2=CC=CC=C2 1 2.493 1 0 3.89753271707772 584360 CCOC1=CC=C(C=C1)C2(CC(=O)N(C2=O)C)C 1 1.657 1 3 0 -4.8060246790839 584317 CC1=CC=C(C=C1)OCCN2C=NC3=C2N=CN=C3N 1 1.882 5 1 0 -3.87005442522089 584305 C1=CC=NC(=C1)CNC(=O)NC2=CC(=CC=C2)NC(=O)NCC3=CC=CC=N3 1 1.358 6 2 0 -7.44894064522294 584277 CCCCOC1=CC=C(C=C1)C2(CC(=O)NC2=O)C 1 2.431 1 3 -8.72012447625251 584263 CC1=C(C=CC(=C1)CCN2CCC(=O)NC2=O)OC(C)C 1 2.394 2 3 -10.0211621230495 584258 CC(=O)NCCC1=CC=C(C=C1)OC 1 1.262 1 2 0 -5.82111977517382 584243 CCN(C1=CC=CC=C1C)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 4.214 2 3 -7.48056273876226 584201 CNC1=CC=CC=C1C(=O)OCC(=O)C2=CC=CC=C2 1 2.749 1 3 -15.2882722481567 584132 C1=CC(=CC(=C1)NC(=O)NCC2=CN=CC=C2)NC(=O)NCC3=CN=CC=C3 1 0.928 6 2 0 -7.76707645218448 584025 CCC1=CC=C(C=C1)NC(=O)CN2CC(CC2=O)C3=CC=CC=C3 1 2.765 2 2 -9.00399744741885 584018 CC1=CC=CC=C1N2C(=O)CC(=O)N(C2=O)C3=CC=CC=C3C 1 3.49 2 3 -5.38033693738117 583995 C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3N2)O 1 2.429 3 2 1.54580285312033 583938 C1CC2C3C(C4CCCC4=C2C1)C(=O)N(C3=O)C5=CC=CC=C5 1 3.577 1 2 -1.82509328635575 583953 CC(C)CSC1=NN=C(S1)N 1 1.832 3 0 0 -7.41864509699089 583933 CCCSC1=NN=C(S1)N 1 1.513 3 0 0 -7.52469483947406 583867 C1=CC=C2C(=C1)NC(=N2)NCCO 1 0.684 3 1 0 3.01245217294744 583866 C1COC(C2=CC=CC=C21)CNC(=O)C3=CC=CO3 1 1.989 1 3 0 -12.7981915437595 583808 CCC(=O)N1CCCC2=CC=CC=C21 1 2.354 1 1 -9.14421369569252 583674 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.458 1 3 -3.10745141289852 583603 CCCCCSC1=NN=C(S1)N 1 2.425 3 0 -8.39102047177107 583542 CC1=CC=C(C=C1)NC2=NC(=O)CS2 1 2.368 2 1 -7.28215868570972 583516 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC4=CC=CC=C4C(=O)O3 1 3.125 1 3 -9.04631339453307 583515 CN1C(=NC2=CC=CC=C2C1=O)COC3=CC=C(C=C3)Cl 1 3.199 2 2 -2.50341366468892 583513 CCCCCCC1NC(CS1)C(=O)O 1 -0.234 1 2 0 -11.3813137403518 583509 C1=CC=C(C=C1)NC(=O)CSCC2=NC3=CC=CC=C3N2 1 2.723 3 1 -8.67382409906538 583500 C1CC2=CC=CC=C2N(C1)C(=O)C(=O)N3CCCC4=CC=CC=C43 1 3.354 2 2 -6.17984862852821 583493 C1=CC=C(C=C1)C(=O)CNC2=CC=CC=C2C(=O)O 1 2.524 1 3 -5.52016276615499 583470 C1CN(CC2=CC=CC=C21)C(=O)C(=O)N3CCC4=CC=CC=C4C3 1 2.456 2 2 -7.68619973332383 583439 COC1=CC=CC=C1NC(=O)CSCC2=NC3=CC=CC=C3N2 1 2.707 3 2 -12.0488847082473 583438 CC(C)CC1=NC2=CC=CC=C2N1 1 2.981 2 0 1.98428124256539 583404 CC1=CC=CC=C1N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C 1 2.357 2 3 -19.4766758809947 583396 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.948 2 4 -16.6186151912993 583390 COC1=C(C=C(C=C1)S(=O)(=O)NC2CCC3=CC=CC=C23)OC 1 2.851 1 4 -11.9031286412148 583377 C1CN(CCN1C2=CC=CC=C2)C3=NN4C(=NN=C4C(F)(F)F)C=C3 1 2.912 6 0 1.14047279878309 583372 CC(C(=O)OC)N=CC1=CC=CC=C1 1 2.041 1 2 -4.37941572749184 583366 CC1=CC(=CC=C1)CC2C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC=C4 1 4.667 3 1 -1.33624046523423 583365 CN1C2=CC=CC=C2C3(C1=O)OCC(CO3)(CO)[N+](=O)[O-] 1 0.18 2 6 0 -2.03024300380799 583347 CCCS(=O)(=O)C1=CN2C=CC=C(C2=C1S(=O)(=O)CCC)N 1 1.575 2 4 0 -12.2599630525012 583321 CC1=CC=C(C=C1)S(=O)(=O)NCC2C3=CC=CC=C3CCN2 1 2.517 2 2 -10.4382770940914 583293 C1CNC(C2=CC=CC=C21)CNS(=O)(=O)C3=CC=CC=C3 1 2.03 2 2 -11.50269973034 583289 C1=CC=C(C(=C1)CO)N=C2C(=NSS2)Cl 1 2.81 2 1 7.55840792312748 583208 CC(=O)C1=CC=C(C=C1)OCCN2C=NC3=CC=CC=C32 1 2.923 2 2 -8.02766849387344 583143 C1=CC=C(C=C1)P(=O)(C2=NC3=CC=CC=C3N2CC(=O)O)O 1 2.508 2 4 -7.92207812389468 583067 CC1=CC=CC=C1C2=NNN=N2 1 1.785 4 0 0 2.03374419311376 583011 CCOC(=O)CN1N=C(N=N1)C2=CC=CC=C2 1 1.561 4 2 0 -3.72052055749471 582777 C#CCN(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2 1 3.921 2 1 -7.42307991134998 582763 C1CC1NC(=O)CCC2=CNC3=CC=CC=C32 1 2.312 2 1 -12.8728049591503 582730 CC1=CC(=C(O1)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O 1 2.247 2 4 -14.4245006928889 582695 C1=CC=C2C(=C1)C(=CN2)CC(=O)OCCOC(=O)CC3=CNC4=CC=CC=C43 1 3.845 2 4 -5.9565363078006 582677 CC(C1=CC=CC=C1)NC(=O)CCC2=CNC3=CC=CC=C32 1 3.783 2 1 -16.6108122099065 582676 C1=CC=C2C(=C1)C(=CN2)CCC(=O)NCC3=CC=CO3 1 2.587 2 2 -16.830790181399 582637 CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O 1 3.042 2 4 -14.4565757120589 582632 CC1=C(C2=CC=CC=C2N1)C(C#N)(C#N)C3C(=O)C4=CC=CC=C4C3=O 1 2.958 3 2 -0.368872350844677 582530 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 1.83 2 2 0 3.349348875459 582518 C1COCCN1C(=S)SCCN2C(=O)C3=CC=CC=C3C2=O 1 2.573 2 3 -9.46920129857688 582515 C1COCCN1C(=S)SCC(=O)C2=CC(=CC(=C2O)Br)Br 1 4.403 1 3 -0.740459881072367 582509 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC3=CC=CO3)N 1 1.511 3 2 0 -10.2370152949413 582449 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC 1 1.414 2 3 0 -12.3519886147214 582392 C1CC1CNS(=O)(=O)C2=CC(=C(C=C2)F)Cl 1 2.431 1 2 -5.43389056372004 582363 C1COCCN1C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 0.385 2 4 0 -12.1425187666294 582245 CN1C=NN=C1SCC(=O)NCC2=CC(=CC=C2)C(F)(F)F 1 2.068 4 1 -18.6711331660311 582239 CN1C=NN=C1SCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 0.937 5 4 0 -18.2567446761109 582095 C1=CC(=C(C=C1F)F)NC(=O)CCC(=O)OCC(C(F)F)(F)F 1 2.437 1 3 -13.6639992042265 582092 CCC1=NN=C(S1)NC(=O)CCC(=O)O 1 0.197 3 3 0 -17.5802583197882 582054 C1COCCN1C(=O)COC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 1.46 2 5 0 -9.50099638093355 582041 C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)Cl 1 4.491 2 0 3.23721583978896 581982 C=CCS(=O)(=O)C1=CC=CC2=C1N=CC=C2 1 2.159 1 2 -12.1180409668744 581967 CN1C=CN=C1SCC(=O)NC2=CC(=CC=C2)O 1 1.401 3 2 0 -5.90840924998714 581853 C1=CN=CC(=C1N)Cl 1 0.597 2 0 0 2.48297716457049 581852 C1=CC=C(C=C1)CCC(=O)NC2=NC=C(C=C2)Cl 1 3.158 2 1 -5.67353634913122 581843 CCCCN(CCCC)S(=O)(=O)C1=C(NC(=O)NC1=O)C 1 0.98 3 4 0 -18.4153580012703 581809 C1COCCN1C(=O)CSC2=NC=NN2 1 -0.374 4 2 0 -15.3536699960675 581744 CC(=O)OC(C#CCN1CCOCC1)C2=CC=CC=C2 1 2.05 1 3 -1.93080885284565 581709 COC1=CC=CC=C1C2CN(N=C2C3=CC=CS3)C4=C(C=C(C=C4)F)F 1 5.412 2 1 -2.47899353914403 581637 CCOC(=O)C1CSC(C(=O)N1)CC(=O)NC2=CC=C(C=C2)Cl 1 1.549 2 4 0 -14.5996918374025 581551 CC1=C(C=CS1)C=NNC(=O)C2=CC=CC3=CC=CC=C32 1 3.399 2 1 -2.76002782567283 581511 C1CSC(C(=O)N1)CC(=O)NC2=CC=C(C=C2)Cl 1 1.358 2 2 0 -15.4472227073765 581496 CCCC1CC(CCO1)C2=CSC(=N2)N 1 2.077 2 1 0.718044203410597 581389 CCOC(=O)C1C2C=CC3(C1C(=O)N(C3)CC4=CC=CC=C4)O2 1 1.111 1 4 0 -2.47869792594497 581253 CN1C(=NN=N1)SCC2=C(C=CC=C2F)F 1 2.218 4 0 -13.935165174714 581177 CN(C)C1(CCCCC1)C2=NN=NN2C3=CC=C(C=C3)Cl 1 3.576 5 0 -4.02798396385995 581152 C1=CC=C(C(=C1)C(=O)NCC(=O)NN=CC2=CC=CS2)Br 1 2.444 3 2 -13.6381072435377 581148 COC1=CC(=O)OC12CCCCC2 1 1.79 0 3 0 -1.57594602406306 581119 C1CCC2(CC1)C(CC(=O)O2)C3=CSC(=N3)N 1 1.878 2 2 0 -0.241284487614734 581073 CC1CC(CN(C1)CCC(=O)NC2=CC(=CC=C2)Cl)C 1 3.424 2 1 -5.52752560297384 581022 C1=CN=C(N=C1)SCC(=O)O 1 0.595 2 2 0 -8.4980598166287 581021 C1CCCC(CCC1)NC(=O)C2=NC=CN=C2 1 1.936 3 1 0 -9.56423911592438 581000 C(CCNC(=O)C(F)(F)F)CNC(=O)C(F)(F)F 1 1.384 2 2 0 -7.74809287850375 580887 CC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=CC(=C2)O)C(=O)C 1 4.22 1 2 -1.49219873440714 580864 CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)Cl 1 3.216 2 1 -12.1741284780505 580838 CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)N 1 2.409 3 0 -9.60928150580595e-002 580799 CN1C(=O)CC(C1=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl 1 1.644 3 2 0 6.52608383042551 580795 C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC(=CC=C4)Cl)Cl 1 4.786 2 1 6.27030564636043 580791 CC1=NC2=CC=CC=C2N=C(C1=NOCC3=CC(=CC=C3)Cl)C 1 3.846 3 1 2.0802425981757 580762 COC1=C(C=CC(=C1)CC=C)OCC2=CC=C(O2)C(=O)O 1 3.491 0 5 -11.6362851929726 580731 C1CN(CCC1C(=O)NN)S(=O)(=O)C2=CC=C(C=C2)Cl 1 0.593 3 3 0 -11.5108423752079 580712 C1=CC=C(C(=C1)[N+](=O)[O-])OCC2=CC=C(O2)C(=O)O 1 2.394 1 6 0 -7.9876010234341 580642 C1CC2=NON=C2C(=NOCC3=CC=CC=C3Cl)C1 1 2.945 3 2 -1.30586170018862 580629 CN1C(=NN=N1)NCC2=CC=C(C=C2)Cl 1 1.266 5 0 0 -9.94390845092698 580624 CC1=CC(=NO1)NC(=O)CSC2=NC=CC=N2 1 0.889 4 2 0 -17.8504103336845 580604 CC1=C(C=C(C=C1)OCC2=C(OC=C2)C(=O)O)C 1 3.394 0 4 -3.83696279425847 580598 C1=CC(=CC=C1COCCNC(=O)C2=NC=NN2)Cl 1 1.321 4 2 0 -7.72979325794733 580554 CCCCOC1=CC=C(C=C1)NC(=O)C(=O)NCCCN2C=CN=C2 1 1.42 4 3 0 -10.7950773911482 580553 CCCCC(CC)CNC(=O)C1=NC=NN1 1 2.221 4 1 -10.3944867230965 580547 C1=CC(=CC=C1CNC(=O)C(=O)NCCCN2C=CN=C2)Cl 1 0.779 4 2 0 -6.84434593768239 580530 C1COCCN1CC2=CC=C(O2)C(=O)O 1 -2.341 1 4 0 -3.80734841474504 580501 C1=CC(=CC=C1OCC2=CC=C(O2)C(=O)O)Cl 1 3.164 0 4 -2.40642256538143 580500 CCC(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O 1 4.15 0 4 -4.33847588077669 580499 CC(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O 1 3.694 0 4 -3.94496155931661 580434 CC1(C(C1(C)C)C(=O)NN2C(=O)C3=CC=CC=C3C2=O)C 1 1.705 2 3 0 -5.68413708360173 580398 C1=C(OC(=C1)C(=O)O)CSCC(=O)O 1 0.963 0 5 0 -9.99535226060772 580300 CC1(CC(CC(N1)(C)C)NS(=O)(=O)C2=CC=C(C=C2)OC)C 1 1.464 2 3 0 -11.990405588921 580289 COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2Cl 1 3.098 1 3 -4.92325645889648 580286 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCNC2=CC(=CC=C2)F 1 3.242 2 3 -2.83471205421683 580285 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCNC2=CC=C(C=C2)F 1 3.242 2 3 -4.18922203070036 580266 COC1=CC=CC=C1OCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.442 3 7 0 -12.5382845593214 580265 COC1=CC(=CC=C1)OCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.442 3 7 0 -10.0586501304283 580247 CC1C(=O)NC(S1)C2=CC=C(C=C2)F 1 2.146 1 1 -5.71500597051759 580214 CC1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3F 1 2.578 2 2 -5.41621480937142 580206 CN1C2=CC=CC=C2C(=C1CN3CCN(CC3)CC#N)C#N 1 2.047 5 0 -0.947237099832349 580199 CC(=O)N1CC2(CN(CC(C1)(C2=O)C)C(=O)C)C 1 -0.783 2 3 0 -6.98098589969421 580158 C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)NCCOC3=CC=C(C=C3)Cl 1 2.811 2 3 -9.80536069891843 580106 CC1=CC=C(O1)C(=O)CCNC2=CC=C(C=C2)Br 1 3.431 1 2 -1.01529560943223 580038 CN1C2CCC1CC(C2)OC(=O)CCN3CCCC3 1 1.365 2 2 0 -4.68280195943045 580005 C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC4=CC=CC=N4 1 3.356 5 0 -12.5971432053171 580000 C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC=N3 1 2.448 5 0 -14.4114745049712 579981 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC=CC=C2C(=O)NC3CC(NC(C3)(C)C)(C)C)C 1 1.725 4 2 0 -11.9784967620578 579967 CC1(CC(CC(N1)(C)C)OC(=O)C2=CC=CC=C2)C 1 2.425 1 2 -12.3024489381537 579960 CC1(CC(CC(N1)(C)C)NS(=O)(=O)C2=C(C=CC(=C2)Cl)OC)C 1 2.128 2 3 -11.837298641483 579876 CCCNC1=C(C(=O)CC1)C 1 1.254 1 1 0 -3.84151661410894 579848 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])F 1 4.232 2 3 -4.77807332630813 579842 C1COCCN1C2=NC(=NC(=N2)CN3N=C(N=N3)C4=CC=CC=C4Cl)N 1 1.282 9 1 0 1.04618641400431 579820 C1CN(C2=CC=CC=C21)C(=O)C3=CC=CC=C3F 1 3.1 1 1 -9.05871734892534 579811 C1=CC=C(C(=C1)C(=O)NCC(=O)NCCOC2=CC=CC=C2Cl)F 1 2.599 2 3 -15.2821275096471 579782 C1=CC=C(C(=C1)CCNC(=O)CNC(=O)C2=CC=CC=C2F)F 1 2.413 2 2 -17.0331071728646 579777 CC(=NNC(=O)C1C2C1CCCC2)CCC3=CC=CC=C3 1 3.283 2 1 -5.02423167431768 579768 C1CN(CCN1C(=O)C2=CC=CC=C2F)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.86 2 2 -11.9360846551183 579759 CC1=CC(=NC(=N1)NC(=NC2CCCCC2)N)C 1 2.166 5 0 -3.8278031940045 579737 C1=CC=C(C(=C1)C(=O)NCCNC(=O)C2=NON=C2N)F 1 0.125 5 3 0 -16.9228929859308 579689 CC1=NC(=C(N1CCC2=CC=CC=C2)N)C(=O)N 1 0.897 4 1 0 -7.8169685849988 579661 CCC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC=CN2C 1 2.703 4 1 -7.12245947789936 579629 CC1(C(CCC1(C)C(=O)O)C(=O)NC2=CC=C(C=C2)OC)C 1 2.663 1 4 -2.77540078124061 579610 CCC(C(=O)NC1=NN=C(S1)C)SC2=NC=CN2C 1 1.385 5 1 0 -14.8194064392521 579577 COC1=CC=C(C=C1)NC(=O)CCCCC(=O)NC2=CC=C(C=C2)OC 1 2.83 2 4 -8.06485042197537 579557 C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2F 1 3.148 1 1 -9.1506512191481 579556 C1=CC=C(C=C1)C2=NC(C(=O)N2)(C(F)(F)F)NC(=O)C3=CC=CC=C3F 1 3.229 3 2 -7.19531094685978 579553 C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F 1 3.607 2 2 -10.7138072123488 579532 CCOC(=O)C(C(F)(F)F)(NC1=NN=C(S1)C)NC(=O)C2=CC=C(C=C2)F 1 2.418 4 3 0 -15.5789484397986 579516 COC(=O)C1=C(C=CS1)NC(=O)C2=CC=CC=C2F 1 2.628 1 3 -10.0847009567552 579459 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=C(C=C3)F 1 3.728 1 1 -4.21880032527271 579444 C1=CC(=CC(=C1)F)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CN=CC=C3 1 3.17 3 3 -11.2356804682018 579409 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)F 1 3.024 1 3 -10.805317782727 579397 COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)F)OC 1 3.221 3 3 -15.8015399384052 579391 C1C(C(=O)NC1=O)NNC(=O)C2=CC(=CC=C2)F 1 -0.335 3 3 0 -9.12933478678903 579369 C1C2C=CC1N(C2(C(F)(F)F)C(F)(F)F)C(=O)C3=CC(=CC=C3)F 1 3.893 1 1 -0.280128146784027 579342 C1=CC=C(C(=C1)C(=O)NC2=CC=NC=C2)F 1 1.669 2 1 0 -5.89977512874568 579221 C1CCC2C(C1)C2C(=O)NC3=CC=C(C=C3)Cl 1 3.416 1 1 0.332502474138879 579215 CC1=C(C=C(C=C1)NC(=O)C2C3C2CCCC3)[N+](=O)[O-] 1 3.133 2 3 -4.24874744522698 579213 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2C3C2CCCC3 1 2.956 1 3 -5.91190312500501 579189 CC1=CC(=C(O1)C)C(=O)N2CCCC2C(=O)O 1 0.716 1 4 0 -10.6511118743794 579121 COC1=CC=C(C=C1)NC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl 1 4.863 1 3 0.203851161201176 579089 CC1=NC=C(C(=N1)N)CSC2=NC3=CC=CC=C3N2 1 1.981 5 0 0 -5.49063978630042 579006 COC1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3F 1 2.33 5 2 0 -3.63446733919389 578985 CC1=CC(=C(C=C1)C(C)C)OCCNS(=O)(=O)C 1 2.477 1 3 -3.6243919864391 578939 COC1=CC=C(C=C1)NN=C(C=O)C(=O)C2=CC=CS2 1 3.04 2 3 -2.9089771271578 578911 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3 1 3.175 2 3 2.19509896003087 578910 COC1=CC=C(C=C1)NN=C(C=O)C(=O)C2=CC=CO2 1 2.481 2 4 -0.931542256139505 578894 COC1=CC=CC=C1NS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 3.209 1 3 -4.29917094143621 578861 C1=CC=C(C(=C1)C=NNC2=NNN=N2)F 1 1.387 6 0 0 -2.12554481144262 578730 COC1=CC=C(C=C1)CC2=C(N=CN=C2Cl)Cl 1 3.756 2 1 0.807745713455602 578703 CC1=CC(=C(C=C1)NC=NC2=C(C=C(C=C2)C)C)C 1 4.653 2 0 1.75640230676907 578689 COC1=CC=CC=C1OC2=CC=CC=C2C(=O)O 1 3.003 0 4 -4.06121597009582 578640 COC1=CC=C(C=C1)CNC2=NC=CS2 1 1.73 2 1 0 -1.07087485080282 578622 COC1=CC=C(C=C1)CCC(=O)NCCOC2=CC=C(C=C2)Cl 1 3.809 1 3 -10.0278429403785 578621 COC1=CC=C(C=C1)CCC(=O)NCCOC2=CC=CC=C2Cl 1 3.809 1 3 -11.9520980814368 578611 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-] 1 3.263 3 3 -13.5236007020355 578565 COC1=CC=C(C=C1)CNC(=O)CSCC(=O)NC2=CC=CC=C2 1 2.058 2 3 -13.0698105600989 578540 COC1=CC=C(C=C1)CNC(=O)C2CC(=O)N(C2)C3CCCCC3 1 2.158 2 3 -16.2313977301716 578531 C1CN(CCN1C(=S)C2=CC=CC=C2)C(=S)C3=CC=CC=C3 1 4.972 2 0 -3.01385410235338 578528 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CN=CC=C2 1 1.231 2 3 0 -6.78865283325115 578526 CCOC(=O)CNC(=O)CNC(=O)C1=CC=C(C=C1)OC(C)C 1 0.863 2 5 0 -18.1763081525835 578517 COC1=CC=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3S2 1 3.448 1 3 -5.33233375726922 578484 COC(=O)C(C1=CC=CC=C1)C(C2=CC=CC=C2)C(=O)OC 1 3.081 0 4 -5.97469197591533 578443 C1=CC=C(C(=C1)C(=O)NN=CC2=CC(=CC=C2)O)O 1 2.199 2 3 0.380550644790032 578415 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4OCC(=O)N 1 2.018 2 3 -11.4418050730435 578365 C1=CC=C(C(=C1)C=O)OCCOC2=CC=C(C=C2)[N+](=O)[O-] 1 3.099 1 5 -1.78972389537688 578338 C1=CC=C2C(=C1)C(=O)NC(O2)C3=CC=C(C=C3)F 1 2.828 1 2 -0.833278828572998 578335 CC(C)OC1=CC=C(C=C1)C2C(=O)NC(=O)N2 1 1.268 2 3 0 -16.1496105637339 578326 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=NC=C2)O 1 1.29 3 2 0 -1.02601203395541 578325 C1=CC=C(C(=C1)C(=O)NN=CC2=CN=CC=C2)O 1 1.29 3 2 0 -0.922739660280382 578299 CC1=C(C(=CC=C1)C)NC(=O)NN=C2CCCCC2 1 3.288 3 1 -9.24732169921344 578286 CCC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C 1 1.802 5 1 0 -19.4536166909843 578247 CC(C(=O)NC1=CN=CC=C1)OC2=C(C=C(C=C2)Cl)Cl 1 3.112 2 2 -7.20778060255663 578240 C1=CC=C(C(=C1)C(=O)NC2=CN=CC=C2)O 1 1.222 2 2 0 -0.93298717549614 578159 C1CCC2(C1)NC(=O)C3=CC=CC=C3O2 1 1.874 1 2 0 -1.87642520004646 578137 CC1=CC(=NN1CC(=O)NC2=CC=CC=N2)[N+](=O)[O-] 1 1.083 5 3 0 -12.4167113643284 578121 CC(=NNC(=O)CC1=CC=C(C=C1)OC)CC(=O)N(C)C2=CC=CC=C2 1 2.179 3 3 -8.06426792130974 578096 COC1=CC=C(C=C1)CC2=NN=NN2CC(=O)O 1 0.565 4 3 0 -19.3207441897846 578059 C1COCCN1N=NC2=CC=CC(=C2)C(=O)O 1 1.531 3 3 0 -0.504512911650346 578058 C1CCCN(CC1)N=NC2=CC=C(C=C2)C(=O)O 1 3.217 3 2 0.167935611384884 578057 C1CCCN(CC1)N=NC2=CC=CC(=C2)C(=O)O 1 3.217 3 2 0.740657679861967 578041 C1CCN(C1)N=NC2=CC=C(C=C2)C(=O)O 1 2.304 3 2 0.522404125552963 577887 CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 3.375 3 5 0 -8.31885777770859 577835 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC 1 1.443 1 3 0 -7.43314118026237 577832 C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N 1 1.875 2 1 0 -7.04710446805822 577823 C1=CC(=CN=C1)C2=NOC(=N2)C3=CC=CO3 1 1.389 3 2 0 3.67965969315139 577819 CCOC(=O)C1=CC(=C(NC1=O)C)C(=O)NC(C)C2=CC=CC=C2 1 1.483 2 4 0 -14.5017114965035 577801 C1=CC(=CC=C1C(C(F)(F)F)(C(F)(F)F)O)N 1 2.378 1 1 0.824234083806714 577800 C1CCN(C1)C(=O)C2=CC=C(C=C2)N 1 0.958 2 1 0 -3.78451963027194 577779 C1=CC(=CN=C1)C=NNC(=O)C2=C(C=NN2)Br 1 1.016 5 1 0 -5.24156077355486 577722 CC1=NC=C(C=C1)C(=O)NN=CC2=CC=CS2 1 1.768 3 1 0 -9.46549556495692 577707 CCOC(=O)C1=CC(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)C)C#N 1 1.279 3 5 0 -21.6528803691289 577695 CN(CC1=CC=CC=C1)CC2=C(C=CC3=CC=CC=C32)O 1 4.153 1 1 9.92574625848259 577680 CC(=O)OC1CC(N(C(C1)(C)C)OC(=O)C2=CC=C(C=C2)N)(C)C 1 1.443 2 4 0 -4.16202551971211 577652 C1CC(C(=O)NC1)NC(=O)C2=CC=CC=C2N 1 -5.3e-002 3 2 0 -17.6809803152022 577583 CC1=CC=C(O1)C=NC2=CC=CC=C2C(=O)N 1 1.969 2 2 0 3.00483981397628 577575 CC1=NC=C(C=C1)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 1.709 4 3 0 -9.52432079945989 577561 CC1=C(C=CC=C1NC(=O)C2=CC=CC=C2N)C(=O)O 1 1.984 2 3 0 -5.43001122005491 577541 C1CCC(=O)NC2=CC=CC=C2C(=O)C1 1 1.652 1 2 0 -8.33363849551912 577518 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC3=NSN=C32)C 1 3.904 3 2 -1.45470127732842 577516 CC1=CC(=CC=C1)N2CCCC2=NC3=C(C=C(C=C3)Br)C#N 1 4.362 3 0 0.24307580780044 577515 CC1=CC=CC=C1NCC(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.724 4 3 0 -10.5030596276107 577497 C1=CC=NC(=C1)C=NNC(=O)C2=CN=CC=C2 1 0.81 4 1 0 -5.2422714592327 577480 C1=CC=C2C(=C1)C(=O)N(N=N2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-] 1 3.182 5 3 0 -15.8164542761867 577464 C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)N 1 2.373 1 2 -2.65958297105341 577461 C1CN(C2=CC=CC=C21)C(=O)C3=CC=CC=C3N 1 2.148 2 1 -8.81100615732932 577341 CC1=CC=C(C=C1)C(=O)N2C(=S)N=C3N2C=CC(=C3)C 1 3.203 3 1 -6.42866094403001 577334 CC1=CC=C(C=C1)C(=O)N2C(=S)N=C3N2C=CC=C3 1 2.757 3 1 -7.30316539721649 577329 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.948 3 3 1.29553857447838 577328 CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(F)(F)F 1 4.662 0 1 2.8848435909863 577305 CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=CC=C3 1 3.631 2 1 7.68444817642587 577292 CCC1(COC2(C3=CC=CC=C3NC2=O)OC1)C 1 1.89 1 3 0 -9.12935481840077 577259 C1=CC=C(C=C1)N2C(=O)C(=O)NC2=O 1 0.7 2 3 0 -3.44204294831196 577223 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=NOC(=C2)C)C 1 2.914 2 3 -9.41476419362915 577094 C1CN(C2=CC=CC=C21)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 2.348 2 3 -13.814083127463 576989 CC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C4=CC=CC=C42 1 5.463 1 1 1.9345028805233 576988 CC1=CC2=NC(=S)N(N2C=C1)C(=O)C3=CC(=CC=C3)C 1 3.203 3 1 -5.92288833329711 576984 CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)Cl)OC 1 3.748 1 2 -6.97051646521955 576973 CC1=CC=CC=C1C(=O)N2CCC3=CC=CC=C3C2 1 3.388 1 1 -10.155014039886 576969 CCN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2C 1 3.662 1 1 -10.0126716338338 576955 CC1=CC=C(C=C1)C(=O)NC2=NC=CS2 1 2.098 2 1 -6.04781055435284 576941 CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)N(C)C 1 3.46 2 1 -7.12129210624602 576935 CC1=CC=C(C=C1)C(=O)NN=C(C)CN2N=C(N=N2)[N+](=O)[O-] 1 1.462 7 3 0 -9.64624173382967 576914 CC1=CC=C(C=C1)C(=O)NC(C(Cl)Cl)O 1 2.293 1 2 -6.92608306692959 576889 CC1=CC=C(C=C1)C(=O)C2C(C(=O)C(C(=O)O2)(C)C)(C)C 1 3.502 0 4 -2.24207780346879 576879 CC1=C(C=C(C=C1)C(=O)N2CCOCC2)[N+](=O)[O-] 1 1.312 2 4 0 -9.81201048405922 576878 CC1=CC=C(C=C1)N2CC(=O)N(CC2=O)C3=CC=C(C=C3)C 1 2.657 2 2 -5.17457994833902 576845 CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)C 1 3.16 2 2 -3.60135618690456 576804 CC1=CC=C(C=C1)C(=O)N2CC(=O)NC(=O)C2 1 0.26 2 3 0 -10.0109297865267 576797 CC1=CC=C(C=C1)C(=O)CSC2=NC=NN2 1 2.415 3 1 -7.09499599591857 576784 CC1=CC=C(C=C1)C(=O)N2C(=CSC2=S)OC(=O)C3=CC=C(C=C3)C 1 5.435 1 3 -6.55269048634277 576780 CC1=CC=CC=C1C(=O)NN=C(C)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.044 3 3 -12.1780501153868 576770 CC1=CC=CC(=C1)C(=O)OC2=CC=CC=C2C=NNC3=CC=C(C=C3)[N+](=O)[O-] 1 5.261 3 4 0 -5.21654884109761 576758 CC1=CC=C(C=C1)C(=O)N2C3CC(C2(C(F)(F)F)C(F)(F)F)C=C3 1 4.174 1 1 -1.15380933048545 576756 CC1=CC=C(C=C1)C(=O)C2=NOC=C2C(=O)C3=CC=CS3 1 3.96 1 3 -5.44758744316483 576735 CC1=CC=CC(=C1)C(=O)NNC(=O)C(=O)NC(C)(C)C 1 0.978 3 3 0 -12.4349688115985 576732 CC1=CC=C(C=C1)C(=O)NCN2CCN(CC2)C3=CC=CC=C3 1 3.274 3 1 -1.94898753949107 576712 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=NC3=CC=CC=C32)C 1 4.161 2 2 -3.49657568666786 576641 CC1=CC=C(C=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.193 3 2 -15.4664527970651 576570 CN1C(=CC(=NC1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.399 2 1 2.86449865262678 576560 CC1=NN2C=C(N=C2S1)C3=CC=C(C=C3)N 1 1.239 4 0 0 4.29547685870387 576549 C1=CC=C(C=C1)OCCS(=O)(=O)C2=NC3=CC=CC=C3N2 1 3.045 2 3 -5.92509390996105 576512 CC1CN(C(C(C12C(=O)NC(=O)N2)C)C3=CC=CC=C3)C 1 1.529 3 2 0 -3.49742657716614 576494 CC1C(N(CCC12C(=O)NC(=O)N2)C)C3=CC=CC=C3 1 1.081 3 2 0 -2.39674877121132 576491 CC1=C(C(=CC=C1)C)N2C(=NN=N2)SC 1 2.772 4 0 -8.67232165660285 576458 CC1C(N(C(CC1(C2=CC=CC=C2)O)C3=CC=CC=C3)C)C4=CC=CC=C4 1 4.865 1 1 5.49872021368449 576446 CC1=CC=C(C=C1)C2=NOC(=C2)N 1 2.095 2 1 4.79275627363205 576367 C1COCCN(CCOCCN1CCO)CCO 1 -1.064 2 4 0 3.86944118437293e-002 576325 C1C(N1S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.377 1 2 -6.66867485273665 576320 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)N 1 1.851 2 2 0 -12.9896172480395 576258 CC1=CC(=C(C=C1)OC)N2N=C3C=CC=CC3=N2 1 3.642 3 1 -1.85391303612978 576025 C1C2=CC=CC=C2CN3N1C(=O)C4=CC=CC=C4C3=O 1 1.79 2 2 0 -2.6424001013882 575909 C1=CC=C(C=C1)N2C(=NN=N2)OC3=CC=C(C=C3)Br 1 3.567 4 1 -4.60600348372457 575908 C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.935 5 2 0 -10.7958509022196 575819 CCN(CC)C(=S)SCC(=O)NC12CC3CC(C1)CC(C3)C2 1 4.105 2 1 -11.9048273267902 575802 CC1=C(C(=NN1)N)C2=CC=C(C=C2)Cl 1 2.394 3 0 5.53625298765214 575676 C1CSCCN1CC(=O)NN=CC2=CC(=CC=C2)Cl 1 2.122 3 1 -2.22303399350187 575670 CC(=O)C(=NNC1=CC=CC=C1)SC2=NN=CN2C 1 2.003 5 1 -6.86121895058198 575642 C1=CC=C2C(=C1)C=CC3=NN=C(N32)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.476 4 2 -2.52708389646938 575516 C1CC1NC(=O)CSCC(=O)NC2=CC3=CC=CC=C3C=C2 1 1.889 2 2 0 -10.221849614721 575481 CC(=NNC(=O)C1CC1(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CO4 1 3.674 2 2 0.216269890302146 575440 C1CN(CCN1CC#CC2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 3.375 2 1 0.682793332735844 575337 CC1CC2(C(CC3=CC=CC=C3O2)C(C1CNCCCN(C)C)C)C 1 3.795 2 1 -0.444769651353909 575169 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CCC3=CC=CC=C3 1 3.287 3 2 -15.2488862074367 575165 CCOC(=O)CC1=NN(N=N1)CC(=O)OCC 1 0.281 4 4 0 -10.8055887114162 575124 CC1(OC(C(O1)C(=O)N(C)C)C(=O)N(C)C)C 1 -1.361 2 4 0 -6.56429572020195 575111 CCOC(=O)C1(N=C(OC(=N1)N2CCOCC2)C3=CN=CC=C3)C(F)(F)F 1 2.002 4 4 0 -2.45883445343252 575110 COC1=CC=CC(=C1OC(=O)N2CCOCC2)C=O 1 1.23 1 5 0 -5.15910267420106 575109 C1COCCN1C(=O)NC2=CC=CC3=CC=CC=C32 1 1.748 2 2 0 -7.72158266891293 575093 COC1=C(C(=CC(=C1)C=O)Cl)OC(=O)N2CCOCC2 1 1.894 1 5 0 -9.11626084155787 575092 C1COCCN1C(=O)OC2=C(C=C(C=C2Br)C=O)Br 1 2.743 1 4 -6.26916886669871 575091 COC1=C(C=C(C=C1)C=O)OC(=O)N2CCOCC2 1 1.23 1 5 0 -11.6659868088243 575084 C1=CC=C(C=C1)OCC2=NN=C(S2)N 1 1.317 3 1 0 -0.636540333628106 575072 CN1CCOCCOC2=CC=CC=C2OCCOCC1 1 1.492 1 4 0 -1.55265377233856 575054 C1=NN=C(S1)N(CCC#N)CCC#N 1 -0.197 5 0 0 -7.35256439982792 574865 C1COCCN1CCSC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O 1 2.198 3 3 -11.2724045038019 574830 CCN1CCN(CC1)CC2=C(C(=O)C=C(O2)CO)O 1 -0.501 2 4 0 -0.116357380771248 574801 CN1CCN(CC1)CC(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4=CC=CC=C4 1 2.913 3 3 0.93571837062827 574794 CN1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 2.729 3 2 -2.26734501501717 574609 C1CC(=O)N(C1)C2=NC=CS2 1 0.408 2 1 0 -7.77277359132145 574602 CCOC(=O)C1(N=C(OC(=N1)N2CCCCC2)C3=CN=CC=C3)C(F)(F)F 1 3.232 4 3 0 -0.869748330719752 574577 CC1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 0.539 4 3 0 -17.6399258765723 574554 CC1CCN(CC1)CCC(=O)NC2=NC=CS2 1 1.37 3 1 0 -8.00211149389634 574510 CC1=NC(=CS1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)Br 1 2.464 3 1 -1.82619581463831 574473 CC1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)OC 1 2.357 2 2 -6.44510780912918 574469 C1=CSC(=C1)CN(CC2=CC=CS2)C(=O)CCC(=O)O 1 2.071 1 3 -12.9602689211795 574330 C1COCCN1C2=NN(C(=O)C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 0.389 4 4 0 -6.87538289832656 574310 C1=C(NN=C1)C(=O)O 1 0.195 2 2 0 -3.09684874886137 574259 C1=CSC(=C1)C2=NC3=C(C=C(C=C3)Cl)C(=O)O2 1 3.758 1 2 -3.62823815889993 574261 CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC=CS2 1 3.394 2 1 -5.558483062301 574275 COC1=CC=CC=C1C2CCN(CC2)C(=O)C3=CC=CS3 1 3.382 1 2 -10.7595756528634 574268 COC1=CC(=C(C=C1)NC(=O)C2=CC=CS2)[N+](=O)[O-] 1 2.446 2 4 -7.11563922015764 574220 CN(C)N1C(=O)CC(C1=O)N2CCCCC2 1 7.e-002 3 2 0 0.24675219685875 574188 C1=CC=NC(=C1)N(C(=O)C2=CC=CS2)C(=O)C3=CC=CS3 1 3.564 2 2 -7.69476741264274 574179 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=CS3 1 3.354 2 2 -12.5386199658195 574174 CCOC(=O)CC(=NNC(=O)C1=CC=CS1)C 1 1.328 2 3 0 -10.1472747405434 574171 C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=CC=CS3 1 3.638 2 1 -5.39804695811999 574146 COC1=C(C(=O)N(N=C1)C2=CC(=CC=C2)Cl)Cl 1 2.198 2 2 1.05904889183671 574132 C1=CC=C(C=C1)NN=C(C=O)C(=O)C2=CC=CS2 1 3.056 2 2 -2.75005928291179 574108 C1=CSC(=C1)C(=O)NN=CC2=CC=C(S2)Br 1 3.158 2 1 -3.31749666601285 574029 C1=COC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC=CS3)Cl 1 3.412 2 3 -5.88164779631869 573971 C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CS4 1 5.194 3 1 -9.51142535281065 574008 CC(C)(C)N(CC1=CC=CC=C1)C(=O)C2=CC=CS2 1 3.712 1 1 -5.71099350272781 573993 C1=CSC(=C1)C(=O)NC2=NON=C2NC(=O)C3=CC=CS3 1 2.188 4 3 0 -7.75915590974449 573876 COC1=CC=C(C=C1)NC(=O)C2=CC=CS2 1 2.551 1 2 -5.08555522389835 573874 C1=CC(=CN=C1)CNC(=O)C2=CC=CS2 1 1.424 2 1 0 -10.9243601263963 573814 CCC(=O)NC1=C(N(N=C1C)C(=O)CC)C 1 1.146 3 2 0 -6.72514849753811 573780 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2 1 2.307 1 2 -8.38727154555088 573775 CC1=NC(=CC=C1)NC(=O)C2=CC=CS2 1 2.239 2 1 -4.07296146798668 573774 C1=COC(=C1)CNC(=O)C2=CC=CS2 1 1.756 1 2 0 -10.5549574005296 573756 C1=CSC(=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F 1 2.668 2 3 -6.34167213447538 573747 C1=CSC(=C1)C(=O)C2=NO[N+](=C2C(=O)C3=CC=CS3)[O-] 1 0.516 2 4 0 -3.93719401161279 573745 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 3.392 2 1 -5.49214251440038 573742 C1=CSC(=C1)C(=O)NC2=CC3=NSN=C3C=C2 1 2.696 3 1 -1.96881324886886 573728 CC1(CC(=NNC(=O)C2=CC=CS2)CC(=O)C1)C 1 1.818 2 2 0 -10.460339193719 573613 CC(C)(C)N(C=C(Cl)Cl)C(=O)NC1CCCCC1 1 3.19 2 1 -2.63569365421776 573572 CC1(CC(=O)C2=C(C=C(C=C2O1)OC)O)C 1 1.811 0 4 0 -5.76586515306195 573552 C1=COC(=C1)C=NNC(=O)CCC(=O)NN=CC2=CC=CO2 1 0.878 4 4 0 -7.80229253847005 573551 CC1=CC=C(C=C1)S(=O)(=O)NC2CC3CCC2C3 1 2.828 1 2 -4.00091978504644 573474 CCCCCCCC(=O)NN=CC1=CC=CO1 1 3.362 2 2 -9.90648049151964 573445 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.306 2 2 -5.49890795697176 573373 CCOC1=CC2=C(C=C1)N=C(S2)SCC3=CC=C(C=C3)F 1 5.118 1 1 -4.50648266657286 573359 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=NN2C)C 1 1.829 3 3 0 -18.8353911926106 573357 C1=CC=C(C(=C1)C(=O)NCCOC2=CC=CC=C2F)SCC3=CC=C(C=C3)F 1 5.206 1 2 -12.7377343559536 573353 C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)F)C4=NON=C4N 1 3.29 5 1 -2.29897209620106 573349 C1=CC2=C3C(=C1)C(=O)N(C3=CC=C2)CC4=CC=C(C=C4)F 1 3.687 1 1 3.93859537829455 573345 C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC(=N2)C3=CC=CS3 1 2.992 3 3 1.71084282487558 573344 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2)C 1 0.59 4 2 0 -9.33315313670749 573339 C1=CC=C(C(=C1)CNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-])F 1 2.666 2 4 -9.50230797882022 573338 CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)F)C=O 1 4.023 1 1 -4.10994498923436e-002 573334 C1=CC(=CC(=C1)F)CSC2=NC3=C(N2)C=CC=N3 1 3.262 3 0 -3.17579332255092 573330 CC1=C(OC=C1)C(=O)NC2=CC=CC3=CC=CC=C32 1 3.404 1 2 -6.8715147462312 573329 CC1=C(OC=C1)C(=O)NC2=CC3=CC=CC=C3C=C2 1 3.404 1 2 -3.91453307792196 573328 CC1=C(C=CO1)C(=O)NCC2=CC=C(O2)C(=O)O 1 0.973 1 5 0 -9.08882610683755 573327 CC1=CC(=CO1)C(=O)NCC2=CC(=CO2)C(=O)O 1 0.682 1 5 0 -8.88267921468514 573299 CC1=CC=C(O1)C(=O)NCCCC(=O)O 1 0.629 1 4 0 -13.1575327950428 573296 C1=CC=C(C(=C1)CSC2=NC=NN2)F 1 2.462 3 0 -10.3010475707242 573291 CC1=C(C=CO1)C(=O)NC2=CN=CC=C2 1 0.713 2 2 0 -3.60865694561623 573285 CC1=CC=C(O1)C(=O)N2CCCCC2C(=O)O 1 1.318 1 4 0 -7.60719800881142 573281 C1=CC(=CC=C1CN2C=CC(=N2)N)F 1 2.061 3 0 -3.61325187589492 573255 CCSC1=NC2=CC=CC=C2N1CC3=CC=CC=C3F 1 4.772 2 0 -7.0870416443917 573250 CC1=C(C=CO1)C(=O)OCC(=O)NC2=CC=C(C=C2)F 1 1.776 1 4 0 -7.69894906502001 573249 CC1=NN=C(S1)SCC2=CC=C(C=C2)F 1 2.895 2 0 -9.57750616579378 573225 CC1(C(N(C(=O)O1)CCNC(=O)C2=CC=NN2C)(C)O)C 1 2.1e-002 4 4 0 -13.4188349845539 573210 C1OC2=C(O1)C=C(C=C2)N3C(=NN=N3)SCC4=CC=CC=C4F 1 3.357 4 2 -17.2599020826254 573187 C1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)F 1 3.22 1 1 -8.344869470966 573175 CCCCCN1C(=C(C(=N1)C)C=NNC(=O)C2=C(OC=C2)C)C 1 2.795 4 2 -8.25934088314315 573174 CCN1C(=C(C(=N1)C)C=NNC(=O)C2=C(OC=C2)C)C 1 1.359 4 2 0 -6.30648407989214 573172 CC1=CC(=NN1)C(=O)NN=CC2=CC=CS2 1 1.654 4 1 0 -9.06169793485685 573142 COC1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=CC=C3F 1 3.277 4 1 1.6480504112776 573095 C1=CC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)F 1 4.455 2 2 -4.82563166239044 573032 C1=CC(=CC=C1CSC2=NSC(=N2)N)F 1 2.805 3 0 -0.398884180058791 573009 C1=CC(=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)O 1 2.128 2 3 0.486270803528506 572920 CN1C(=CC=N1)C(=O)NC2=CC=CC=C2C(=O)O 1 1.185 3 3 0 -12.9437237363449 572875 CC1=CC(=NN1CC(=O)O)C 1 0.389 2 2 0 -10.794562249776 572802 CC1=CC(=NC=C1)NCC2=CC=CC=C2O 1 2.382 2 1 4.68344119383189 572777 C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3C2=O 1 3.189 1 2 -5.59813849085583 572745 CCCCC(CCCC)(C(=O)NNC1=CC=CC=C1)O 1 3.968 2 2 -9.41975700731331 572680 CC(CC#CCN1CCOCC1)OCCC#N 1 1.144 2 2 0 -5.29185519756318 572638 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-2.94182406646815 569560 CC1=CC(=NO1)NC(=O)C2=CC=CC=C2 1 1.753 2 2 0 -13.7388134620516 569547 C1=CC=C(C=C1)C(=O)NC2=NC=CS2 1 1.611 2 1 0 -6.84345812186219 569538 C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=NC=C2 1 0.721 3 2 0 -5.19280714826761 569534 C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=CC=CC=C3OC2=O 1 1.901 2 4 0 -11.5785842536434 569519 C1=CC=C(C=C1)C(=O)CSC2=NC=NN2 1 1.929 3 1 0 -7.89064356342792 569513 C1=CC=C(C=C1)C(=O)N2C(=O)C=CNC2=O 1 0.642 2 3 0 -5.94697651272221 569471 CC1=C(SC2=C1C(=O)OC(=N2)C3=CC=CC=C3)C 1 3.559 1 2 -6.8156354213989 569453 CC1=C(C(C(OC1=O)C2=CC=CC=C2)(C)C)OC(=O)C3=CC=CC=C3 1 4.497 0 4 -7.32767205763365 569452 C1C(C(=O)NC1=O)NNC(=O)C2=CC=CC=C2 1 -0.541 3 3 0 -10.7495154675877 569361 CC(=O)C1=CC(=CC=C1)NC(=O)CSC(=O)C2=CC=CC=C2 1 2.619 1 3 -8.10950141754178 569354 CC(=O)OC1CC(N(C(C1)(C)C)OC(=O)C2=CC=CC=C2)(C)C 1 2.189 1 4 -5.65568095957271 569334 CCC1(COC1)COC(C(=O)OCC)(C(F)(F)F)NC(=O)C2=CC=CC=C2 1 2.868 1 5 -11.4403952613638 569322 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=CC=C3 1 3.351 1 1 -9.02251727220756 569255 C1CCC(CC1)(C#CCN2CCN(CC2)C(=O)C3=CC=CC=C3)O 1 2.966 2 2 -3.70248333510384 569203 CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)COC(=O)C4=CC=CC=C4)C 1 1 0 7 0 -20.5187196856983 569192 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CC=C3 1 3.487 1 4 -12.4138884034841 569100 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCC3=CC=CC=C32 1 4.213 2 3 -18.0764346871932 569077 CNC1=C(N=C(O1)C2=CC=CC=C2)C#N 1 1.892 3 1 0 -0.656760710643939 569002 C1=CC=C(C=C1)C2=NNC(=NC2=O)C3=CC=CC=C3 1 2.688 3 1 -7.191144511325 568962 C1C(CC(=O)CC1=O)C2=CC=CC=C2 1 1.596 0 2 0 -1.13396022430346 568924 CC1C(NC(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.235 1 1 -1.17865971168376 568923 CC1=CC=C(C=C1)S(=O)(=O)N2CC2(C)CCl 1 2.15 1 2 -3.29498343373422 568906 C1C(CN(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.634 1 2 -6.00085916603316 568851 C1=CC=C(C=C1)CCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.326 1 5 -12.7047115336345 568849 C1=CC=C(C=C1)CCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.326 1 5 -14.1535683341266 568837 CC1=NC=C(N1CC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-] 1 1.167 4 3 0 -17.3635062941832 568784 C1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC=C3)N 1 3.191 4 0 -0.377743011916289 568753 CC1=NNC(=NC1=O)SCCC2=CC=CC=C2 1 2.456 3 1 -8.88618770741664 568720 CC1(C(N(C(=O)O1)CCC2=CC=CC=C2)(C)O)C 1 2.128 1 3 -0.665871569376669 568713 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)N3N=C(N=N3)C4=CC=CC=C4 1 2.411 5 3 0 -8.56211731404003 568709 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.104 7 3 0 -6.22834550578194 568666 COC1=NS(=O)(=O)C2=CC=CC=C21 1 1.267 1 3 0 -0.953460970911844 568592 C1=CC=C(C=C1)C2=NC3=NON=C3N=C2C4=CC=CC=C4 1 3.383 4 1 -2.89241398309431 568450 C1=CC=C(C(=C1)C#N)N=CC2=CC=C(C=C2)Br 1 4.053 2 0 4.65177318773098 568445 C1=CC(=CC=C1C2=CC(=O)NN2)Br 1 1.213 2 1 0 -0.921819403032952 568416 CC1=C(C=CC(=C1)Cl)OCCCC(=O)NO 1 2.4 1 3 0.234315508036145 568400 CC1=[N+](C=C(N=N1)C2=CC=CC=C2)[O-] 1 0.642 3 1 0 2.09130009216349 568391 C1CSCCN1C2CC(=O)N(C2=O)CCC3=CC=CC=C3 1 1.776 2 2 0 0.502924242010149 568369 C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NCCO 1 0.337 2 5 0 -8.67995259831746 568367 C1C(=NN(C1=O)C2=NC(=CS2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.741 3 1 -1.00251795072683 568026 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CN3CCOCC3 1 1.443 2 5 0 -4.02876993697486 568025 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CCN3CCOCC3)O 1 0.538 2 4 0 -21.0209572556139 568024 CC(C)(C)N1CC2(CN(CC(C1)(C2=O)C3=CC=CC=C3)C(C)(C)C)C4=CC=CC=C4 1 4.624 2 1 -3.47158824340044 568007 CC1(COC2(C3=CC=CC=C3N(C2=O)CN4CCOCC4)OC1)C 1 1.448 2 4 0 -8.99220857938086 567995 CC1=C(C2=C(N1)C=CC(=C2)OC)C(=O)CN3CCOCC3 1 1.686 2 3 0 -2.0391866862714 567986 CC1=C(C=C(C=C1)C=NNC(=O)CCC(=O)NC2CCCCC2)OC 1 2.77 3 3 -12.0668126455764 567982 CSCCC1C(=O)NC(=O)N1 1 -0.349 2 2 0 -14.1845831096147 567974 CCN(CC)C(=O)C12CC3CC(C1)CC(C3)(C2)Cl 1 2.821 1 1 -4.14033746364297 567932 C1COCCN1CC(=O)NC2=C(OC3=C2C=C(C=C3)Cl)C(=O)N 1 0.905 3 4 0 0.772983325349442 567925 CC1=CC=C(C=C1)S(=O)(=O)N=C(CN2CCOCC2)N3CCOCC3 1 0.213 3 4 0 -8.96550789793003 567867 C1=CC=C(C=C1)CCC(=O)NC2=NC=CS2 1 2.102 2 1 -9.14511510760911 567841 C1COCCN1CCC(=O)NC2=CC(=CC=C2)Br 1 1.64 2 2 0 -4.36444200861797 567825 CCN1CCC(CC1)C(=O)N 1 0.143 2 1 0 -1.10979434356298 567816 C1COCCN1CCSC2=C3C(=C(SC3=NS2)C(=O)C4=CC=CC=C4)N 1 3.344 3 2 -8.3148213233721 567755 C1C(C(=C(NC1=O)SCC(=O)NC2=NC=CS2)C#N)C3=CC=CC=C3 1 1.679 4 2 0 -22.669503093112 567730 C1COCCN1CN2C3=CC=CC=C3C4(C2=O)OCC(O4)CCl 1 1.228 2 4 0 -4.98155098508947 567713 CC1=CC=C(C=C1)S(=O)(=O)NCCN2CCOCC2 1 1.053 2 3 0 -6.94401163170517 567696 COC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCOCC2 1 0.747 2 4 0 -8.90833531247537 567688 C1COCCN1CCNC(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.193 2 2 -7.33999859554992 567672 CC(C)(CCN1CCOCC1)NC(=O)C=C 1 0.542 2 2 0 -9.80982300119534 567642 CC(=O)C1=C(C2=C(SN=C2S1)SCCN3CCOCC3)N 1 1.68 3 2 0 -8.13467094221123 567622 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2[N+](=O)[O-])CCN3CCOCC3)O 1 0.432 3 6 0 -23.1374887757279 567617 COC1=C(C=CC(=C1)C(=O)OCCCN2CCOCC2)O 1 1.315 1 5 0 -3.73873439340843 567615 COC1=C(C=C(C=C1)Cl)NC(=O)CCN2CCOCC2 1 1.54 2 3 0 -6.20434793505403 567605 CCCC(CCN1CCOCC1)(C2=CC=C(C=C2)Cl)O 1 2.992 1 2 -0.470538653448174 567598 CC(=O)N(C)CC#CCN1CCC(CC1)O 1 -0.259 2 2 0 -1.82235009410483 567572 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CCN(CC3)C 1 3.374 3 3 -0.708401156786494 567550 CSC(=NC#N)N1CCN(CC1)C(=NC#N)SC 1 1.585 6 0 0 -2.58592068554377 567549 CC1=CC=C(C=C1)SCC(=O)NC2=NOC(=C2)C 1 2.633 2 2 -14.0806408032361 567548 C1=CC=C(C(=C1)OCC2=NC(=NO2)C3=NON=C3N)Cl 1 1.67 5 3 0 -2.84635568742333 567398 CN1CCN(CC1)NC(=O)C2CC2 1 -0.198 3 1 0 -3.63573027566223 567261 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N 1 0.157 3 2 0 -11.7511531516358 567241 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C 1 0.644 2 3 0 -17.07106979639 567240 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C)C 1 2.362 2 2 -7.81868223279741 567237 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C3=NSN=C23)Br 1 1.78 4 2 0 -9.75483346123782 567207 CC12CCC3C(C1CCC2=O)CC=C4C3(CCC5(C4)OCCO5)C 1 3.066 0 3 -18.1466837353296 567122 CN1CCN(CC1)NC(=O)C2=CC=CC3=CC=CC=C32 1 1.617 3 1 0 -1.28823375081373 567074 C1CCN(CC1)CC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.132 3 1 -2.57357605595946 567073 CC1=CC(=C(C=C1)S(=O)(=O)N2CCCCCC2)OC 1 2.79 1 3 -10.3412528556854 567055 C1CCC(CC1)(CC2=CC=C(C=C2)O)NC(=O)CC3=CC=CC=C3 1 4.45 1 2 -3.25497278414392 567052 C1CCCN(CC1)C(=O)C2=NN3C=C(C=NC3=C2)CCCl 1 2.24 4 1 -6.32341376425068 567049 C1CCC(CC1)(CC2=CC=C(C=C2)O)NC(=O)CC(=O)NN 1 1.442 3 3 0 -1.78060643577761 567002 CC1=CC(=O)C=C(N1C)O 1 0.838 1 2 0 0.45542318955148 566975 C1CCN(CC1)CC(=O)NC2=NN=C(S2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.167 5 3 0 -9.28540053306026 566958 CC1CCCCN1C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C 1 3.809 2 2 -13.4375198379204 566938 CC(=O)C1=C(C2=C(SN=C2S1)SCCN3CCCCC3)N 1 2.91 3 1 -5.73606473129915 566936 CN(C)C1=NC2=C(S1)C=C(C=C2)OCCN3CCCCC3 1 3.037 3 1 0.820241417869388 566934 CCCCCCCCCC1=NC(=NN1)N 1 3.485 4 0 -2.10972120459181 566894 CC(=O)C1=COC2=C1C=C(C=C2)OCCN3CCCCC3 1 2.912 1 3 1.22376329687772 566801 CN1C2C(N(C1=O)CN3CCCCC3)N(C(=O)N2C)CN4CCCCC4 1 1.494 6 2 0 -4.7428695200104 566784 C1CCN(CC1)CCC(=O)N 1 0.339 2 1 0 -2.01223639027904 566752 CC12CN3CCN(C1)CC(C3)C2(CN4CCCCC4)O 1 0.735 3 1 0 0.756879850025661 566712 CC1(CC(CC(N1)(C)C)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C 1 3.215 3 2 -3.99056949999843 566661 CC1=CC(=NO1)NC(=O)CCl 1 0.621 2 2 0 -13.8130212909121 566653 C1CCCN(CC1)C(=O)NCCCCCCNC(=O)N2CCCCCC2 1 3.271 4 2 -11.3353155697695 566627 C(COCCOC1=NON=C1N)OCCOC2=NON=C2N 1 -0.545 6 6 0 -6.66166650505769 566621 C1CCN(CC1)CCCCC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3 1 5.181 1 1 2.12430217676195 566595 COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl 1 2.968 1 3 -15.0714055707462 566593 COC1=CC(=C(C=C1Br)OC)S(=O)(=O)N2CCCCCC2 1 3.036 1 4 -12.062094360616 566573 CCC(CCN1CCCCC1)(C2=CC=CC=C2)O 1 3.101 1 1 -0.581930615474195 566520 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCCCC2 1 2.254 3 3 -8.31597185733743 566392 C1CN(C(N1CC2=CC=CS2)C3=CC=CS3)CC4=CC=CS4 1 4.666 2 0 -3.38711649049085 566413 C1CCN(CC1)C(=O)CSC2=NC=NN2 1 0.856 4 1 0 -13.7853735462919 566403 CC1=C(C(=NN1CC(=O)N2CCCCC2)[N+](=O)[O-])[N+](=O)[O-] 1 1.136 5 5 0 -9.80262354804077 566372 CC1=NN(C(C1)(C)C)C(C#N)C2=C(C(=CC=C2)OC)O 1 1.578 3 2 0 -1.72037978279442 566349 C1C2=C(C=C(C=C2)NC(=O)CC3=CC=CS3)C(=O)O1 1 2.211 1 3 -11.524494800982 566340 C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)CC2=CC=CS2 1 3.552 1 1 -8.27904025010654 566195 CC1(CCCCC1)C2(CC(ON2)C3=CC=CC=C3)O 1 3.346 1 2 0.962928986767915 566162 C1=CC(=C(C(=C1)F)C#N)NCC2=CC=CS2 1 3.046 2 0 -4.93360795052133 566150 CC1=NC(=CN1C(=O)C)NC(=O)C 1 -0.373 3 2 0 -1.86242062212479 566063 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCC3=CC=CO3 1 2.418 2 2 -11.5845106869717 566058 CN(C)C1=NC(=NC(=N1)N2CC(OC2=N)CCl)N(C)C 1 1.129 7 1 0 -3.67671776851292 566023 CCC1=NN=C(S1)NCN2C(=CC(=N2)C)C 1 1.276 5 0 0 -11.1003975915099 565940 CC1=CC(=C(C=C1)NC(=O)C(=O)NCC2=CC=CO2)C 1 2.042 2 3 -13.8442147578459 565938 CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)OC)CC3=CC=CO3)O 1 1.46 1 5 0 -16.0124979997677 565919 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2F)CC3=CC=CO3)O 1 1.682 1 4 0 -18.5503569017981 565898 CC1=CC(=C(C(=C1)C)OCCN2C=CN=C2)C 1 3.013 2 1 2.4182426899096 565846 C=CCN(CC=C)S(=O)(=O)C1=NC=NN1 1 0.482 4 2 0 -12.3379347975585 565831 CC1(CC(CC(N1OC(=O)C2=CC=CO2)(C)C)NC(=O)C(F)(F)F)C 1 2.025 2 4 -7.23131932175394 565827 C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 3.32 2 4 -9.65921225024409 565773 CC(=O)NC1=CC2=C(C=C1)OCCO2 1 0.736 1 3 0 -8.16443871467498 565818 COC1=CC=CC(=C1OC(=O)C2=CC=CO2)C3C(=C(OC4=C3C(=O)CCC4)N)C#N 1 2.663 2 6 0 -19.1247822460112 565816 C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)C4=CC=CO4 1 3.543 2 2 -1.56547190465852 565804 CC1=CC(=NN1C2=NS(=O)(=O)C3=CC=CC=C32)C 1 1.938 3 2 0 -5.27944352987323 565802 CC1(CC(=O)CC(N1OC(=O)C2=CC=CO2)(C)C)C 1 1.537 1 4 0 -1.37064863533823 565801 C1=CC=NC(=C1)NC(=O)C2=C(N=CN2)C(=O)NN 1 -0.88 6 2 0 -6.68821466649362 565786 C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CO3)Cl 1 4.742 1 3 -5.24607527735695 565765 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.117 3 6 0 -19.949866540141 565752 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)OC(=O)C4=CC=CO4 1 2.817 4 4 0 -12.0616330776322 565741 CCOC(=O)C1=NN(C2(C1)CC2)C(=O)C3=CC=CO3 1 1.221 2 4 0 -7.51396241484714 565713 CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.576 3 4 0 -16.2024908151386 565664 CC1=CC=C(O1)CCC(=O)NC2=CC=C(C=C2)Cl 1 2.889 1 2 -5.08615607891394 565661 COC(=O)C1=CN=CN1 1 -0.137 2 2 0 1.19038153173377 565645 C1=CC=C(C=C1)C2=CSC(=N2)C(=NNC3=CC=CC=C3F)C#N 1 4.468 4 0 -3.24687529371571 565630 C1=CC=C(C=C1)NN=C(C=O)C(=O)C2=CC=CO2 1 2.498 2 3 -0.772624411893494 565567 C1=COC(=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O 1 1.712 1 5 0 -8.35591254922155 565508 CCCCNC(=O)C(=O)NCCCN1C=CN=C1 1 -0.14 4 2 0 -8.55506150283762 565354 C1C2C=CC1N(C2(C(F)(F)F)C(F)(F)F)C(=O)C3=CC=CO3 1 3.083 1 2 -1.11797495451765 565346 CCOC(=O)CC1=NN=C(S1)NC(=O)C2=CC=CO2 1 1.129 3 4 0 -14.4918534821766 565340 CC(=O)N1CCN(CC1)C(=O)C2=CC=CO2 1 -0.144 2 3 0 -5.86588460837981 565332 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.276 3 5 0 -0.212600755113341 565311 CC(=O)C1=NN(C=C1C(=O)C2=CC=CO2)C3=CC(=CC=C3)Cl 1 3.688 2 3 4.66595440612639 565233 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3=CC=CO3 1 2.837 1 5 -6.8469885946427 565232 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.189 2 4 -3.96510593443987 565213 C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CC=CO3 1 3.565 0 3 -2.76122968003545 565206 CC(C)(C#N)NC(=O)C1=CC=CO1 1 0.959 2 2 0 -7.07932305865473 565205 CCSC1=NN=C(S1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CC=CO2 1 3.517 4 2 -16.918564117955 565204 C1=COC(=C1)C(=O)NN=CC=NNC(=O)C2=CC=CO2 1 0.593 4 4 0 -4.42787499141639 565200 CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=CC=CO4)C(=S)SS2)C 1 4.334 1 2 -19.7381694077764 565184 COC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)OC 1 1.977 1 4 0 -7.61715550162594 565132 C1=CC=NC(=C1)NC(=O)CC(=O)NC2=CC=CC=N2 1 0.692 4 2 0 -2.95587222867175 565122 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=N3 1 3.011 3 3 -0.667577524883228 565110 CCOC(=O)C1=C2C(=O)OC(N2C=N1)(C)C 1 0.62 2 4 0 -8.60862920089551 565087 C1CC2CC1CC2OC(=O)CCC(=O)O 1 1.468 0 4 0 -7.20055929822718 565070 CC(=O)NC1(CCN(CC1)C)NC(=O)C 1 -0.788 3 2 0 -2.36213666681699 565049 C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)NC3=CN=CC=C3 1 3.358 2 2 -0.327220113766885 565046 C1C2CC(N(C1C3=CC=CC=C3)O2)C4=CC=CO4 1 2.068 1 2 -2.36355880576973 564997 C1CC(N(C1)C(=O)OC2=CC=CC=C2)C(=O)O 1 1.877 1 4 0 -5.47205518170913 564896 C1=CC=C(C=C1)NC(=O)CC2=NC3=CC=CC=C3C(=C2)C(=O)O 1 2.894 2 3 -5.92957739094473 564890 C1=CC=C(C=C1)C(=O)C2=C(NC=N2)C(=O)NC3=CC=CC=C3 1 2.626 3 2 -7.330919795 564878 CCOC(=O)C1=C(N=CN1)C(=O)NC2=CC=CC=C2 1 1.426 3 3 0 -10.2220083840704 564870 C1=CC=C(C=C1)NC(=O)C2=C(N=CN2)C(=O)NN 1 -0.268 5 2 0 -7.36308812587297 564868 CNC(=O)C1=C(N=CN1)C(=O)NC2=CC=CC=C2 1 0.429 4 2 0 -10.8473867306146 564795 CCOC(=O)N(C1=CC=CC=C1)P2(=S)OCCO2 1 2.464 1 4 -6.52534001489701 564729 CC(C1CC1)N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3O 1 3.776 1 2 -2.53171565545828 564741 C1=CN=CC=C1CNC(=O)C(=O)NC2=NC=CS2 1 -0.266 4 2 0 -10.7204032957481 564627 C1CC2CC1CC2C(=O)NC3=CC=CC=C3 1 2.752 1 1 0.512850901700638 564519 C1C=CCC(C1C(=O)NC2=CC=CC=C2)C(=O)O 1 1.816 1 3 0 -4.16663552541775 564515 C1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 3.844 2 3 -5.59768502303601 564425 C1CCC2(C1)C(CC(=O)O2)C(=O)NC3=CC=CC=C3 1 2.009 1 3 -4.69048664260611 564342 C1=CC(=CN=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O 1 1.595 3 4 0 -6.40059715962374 564337 CCOCC1=NC(=C(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)Cl)C 1 1.319 4 3 0 -5.79345513716214 564290 CC1=CC=C(C=C1)OCC(=O)NCC2=CC=CC=N2 1 2.007 2 2 -10.5147546263372 564229 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=NC=C3 1 1.209 5 2 0 -13.4713753744059 564223 C1=CC=C(C=C1)NN=CC2=CC=C(C=C2)Br 1 4.197 2 0 2.15946558064311 564213 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)OC1=O 1 2.033 2 4 -1.69606881845979 564212 C1=CC=C(C(=C1)N)N=NC2=CC=CC=C2N 1 2.706 4 0 4.11888949703272 564104 COC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3 1 2.6 3 3 -4.09416989969841 564008 C1C(N(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CO4 1 4.364 3 3 -9.03052399207383 564006 CN1CCC2=C(C(=NC(=C2C1)NCC=C)NCC3=CC=CC=C3)C#N 1 3.13 5 0 -9.06420545902621 564005 CC1(C2(CN3CC1(CN(C2)C3C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-])C 1 2.601 4 4 0 -5.8707141823507 563996 C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC(=CC=C3)Br)N 1 4.136 3 0 2.07038450947072 563972 CSC1=NC2=C(C3=CC=CC=C3N2CCC4=CC=CC=C4)N=N1 1 4.878 4 0 -6.43408356395595 563956 C1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3CC4=CC=CC=C4 1 3.142 5 0 -3.19896073624609 563951 CC1=C(NC(=C1CCC(=O)OC)COC(=O)C)C(=O)OCC2=CC=CC=C2 1 3.339 1 6 0 -12.7927672332766 563918 C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4 1 3.678 2 2 -1.73204201400422 563874 CCOC(=O)C1=C(N(C(=S)S1)CC2=CC=CC=C2)N 1 3.223 2 2 -6.27845751737341 563872 C1=CC=C(C=C1)CNC2=NN3C(=NN=C3C(F)(F)F)C=C2 1 2.66 5 0 -4.65684070330969 563855 CC1=C(C(=C(C=C1)C)N=C2CCCN2CC3=CC=CC=C3)C#N 1 4.106 3 0 -6.71285016713356 563832 CC1=C(C=C(C(=N1)SCC2=CC=CC=C2)C#N)C(=O)C 1 3.245 2 1 -12.6979330625216 563822 CC1=C(N(C2=C1C=C(C=C2)C(=O)O)CC3=CC=CC=C3)C 1 4.174 1 2 0.20379362108947 563808 CCCC1=C(N=C(NC1=O)SCC2=CC=CC=C2)O 1 3.836 2 2 -12.3808437354034 563803 COC(=O)C1=CC(=O)N(C(=NCC2=CC=CC=C2)S1)CC3=CC=CC=C3 1 3.912 2 3 -6.66066384030157 563797 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)C 1 2.543 1 3 -5.68558556200983 563780 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC=CC=C2 1 3.025 1 3 -8.36969833527232 563688 CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C 1 4.228 1 2 -6.14343495312942 563671 CC1=CC=C(C=C1)S(=O)(=O)NC2=NN=CS2 1 1.277 3 2 0 -5.8434411951273 563608 CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)F)C(=O)OCC3=CC=CC=C3 1 2.853 2 3 -28.700390351349 563605 CC(=O)NCCC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3 1 3.139 2 2 -8.11798340518321 563550 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)O 1 3.936 1 2 -10.7420052349698 563547 CN1C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3 1 2.688 2 1 -5.20990547435229 563543 CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NCC4=CC=CC=C4O 1 4.545 3 1 1.46807858257488 563542 COC1=CC=CC(=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4 1 4.221 2 2 -5.36850989227496 563461 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)O 1 1.511 1 4 0 -11.0957493849235 563449 C1=CC=C(C=C1)CSC2=NSC(=N2)N 1 2.599 3 0 -1.92557611030364 563446 C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2 1 2.807 3 0 1.49544329290516 563441 C1COCCN1C(=O)C2=CC=CC=C2SCC3=CC=CC=C3 1 3.057 1 2 -14.1407443924423 563436 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCl 1 3.928 2 0 -1.12125815128127 563388 C1COC(=N1)C2=C(N(N=N2)CC3=CC=CC=C3)N 1 1.336 5 1 0 -10.7472213951391 563347 C1=CC=C(C=C1)CN2C=NC3=CC=CC=C32 1 3.134 2 0 -4.16920594856738 563336 C1=CC=C(C=C1)CN2C(=S)N(C=N2)N 1 1.45 4 0 0 -2.35319428482958 563322 CC(CC(=O)O)N1C2=CC=CC=C2N=N1 1 1.748 3 2 0 -8.05523572442031 563218 C1=CC=C2C(=C1)N=NN2CCC(=O)O 1 1.37 3 2 0 -13.6360333977921 563207 CC(C)C1=CC=C(C=C1)CNC(=O)CCC2=CC=CC=C2 1 4.306 1 1 -12.2848683038109 563203 C1=CC=C(C=C1)COC(=O)CC(CC(=O)N)C2=CC=CC=C2 1 2.562 1 3 -8.30503018395085 563196 C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)C#N)CC3=CC=CC=C3 1 2.314 3 2 -5.39781747495932 563194 COC1=C(C=C(C=C1)Cl)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 3.145 3 2 -2.56145883639487 563187 CCOC1=CC(=O)N(C1)CC2=CC=CC=C2 1 1.567 1 2 0 -3.33148774357929 563135 CC1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 2.814 2 5 0 -7.04431452135936 563102 CC1=CC(=C(C=C1)NC(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)O)C 1 2.92 2 4 -7.51588995878982 563092 C1CCC(CC1)NC(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)O 1 2.23 2 4 -7.75077882894025 563082 CSC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)F 1 5.771 2 1 -5.78249434885383 563075 C1CN(CCN1CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43 1 3.737 3 0 4.71764295281978 563029 C1=CC=C(C=C1)CSCC(=O)NC2=C(C=C(C=C2)F)F 1 3.426 1 1 -9.40483962467973 563009 CC1=CC=C(C=C1)S(=O)(=O)N(C)S(=O)(=O)C2=CC=C(C=C2)C 1 3.07 1 4 -2.63473442313614 563007 C1=CC=C(C=C1)CN2C3=C(N=N2)N(C(=O)NC3=O)CCO 1 0.827 5 3 0 -10.6850089470748 562945 CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C 1 3.311 2 3 -12.2240596813506 562880 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC 1 0.934 1 4 0 -10.3426101908261 562842 CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C=C(C=C32)[N+](=O)[O-])[N+](=O)[O-] 1 2.873 3 6 0 -12.9599439363709 562753 C1C(=O)N(C(S1)C2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3 1 2.875 1 3 -12.6208205073866 562638 CC(CCC1=CC(=C(C=C1)O)OC)NCC2=CC=CC=C2 1 3.847 1 2 3.15594805358132 562625 CC12CN(CC(C1=NO)(CN(C2)CC3=CC=CC=C3)C)CC4=CC=CC=C4 1 3.932 3 1 3.18372029787555 562619 C1=CC=C(C=C1)CN2C(=O)C(=O)NC2=O 1 0.707 2 3 0 -3.77813263873946 562542 C1CC(CCC1=NO)(C#N)C2=CC=CC=C2 1 2.264 2 1 -2.40574335429952 562427 CC1CN=C(S1)N(C2=CC=CC(=C2)C)C(=O)NC3=CC=CC=C3 1 4.657 3 1 -7.01645700634515 562408 CC1CN=C(S1)N(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 4.177 3 1 -7.61850850047336 562401 C1=CC=C(C=C1)CN2N=C(N=N2)N 1 1.243 5 0 0 -2.85209973674995 562390 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)F 1 4.159 3 2 -10.0040380359241 562362 C1=CC=C(C=C1)CC(=O)NC2=NC=CS2 1 1.646 2 1 0 -7.31013842988267 562341 CC1=CC=C(C=C1)C2=NOC(=C2NO)N=O 1 2.868 3 3 2.2737757272176 562301 C1CCCC(CC1)NC(=O)CCNC(=O)OCC2=CC=CC=C2 1 3.223 2 3 -14.7684535407595 562178 C1=CC=C(C=C1)COC(=O)C(CO)NC(=O)OCC2=CC=CC=C2 1 2.487 1 5 -8.65896048819995 562160 C1=CC=C(C=C1)CNC(=O)C2=C(N(N=N2)CC3=CC=CC=C3)N 1 2.194 5 1 -19.3121955317172 562133 C1=CC=C(C=C1)CNC(=O)CCSCCC(=O)NCC2=CC=CC=C2 1 2.578 2 2 -13.7602763913131 562120 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Cl)CC3=CC=CC=C3)O 1 2.959 1 3 -14.1431963906324 562108 C1=CC=C(C=C1)CN2C(=NN=N2)SCC(=O)NCC(=O)C3=CC=CC=C3 1 2.122 5 2 0 -28.2621760546546 561960 CCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C 1 3.233 4 2 -11.2016703945995 561900 C1CN(CC2=C(N=C(C(=C21)C#N)Cl)Cl)CC3=CC=CC=C3 1 4.037 3 0 -2.94597028630904 561750 CC1=CC(=O)N(C(=C1C#N)O)CC2=CC=CC=C2 1 2.19 2 2 -1.18688142972759 561651 C1C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CO4 1 4.47 2 1 -7.29222402016632 561639 C1=CC=C(C=C1)N2C(=O)C=CC(=N2)Cl 1 2.032 2 1 -1.30687897444964 561606 C1=CC=C(C=C1)N2C(=O)C(=CC(=N2)Cl)Cl 1 2.4 2 1 1.41946998905157 561545 C1CN2CC3(CN1CC(C2)(C3O)CC4=CC=CC=C4)CC5=CC=CC=C5 1 3.106 2 1 2.08130309243338 561506 C1C=CCN1CC2=CC=CC=C2 1 2.19 1 0 1.93291658834419 561480 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CC3=CC=CC=C3 1 1.842 4 4 0 -17.521366740702 561468 COC1=CC(=C(C(=C1)S(=O)CC2=CC=CC=C2)C#N)OC 1 2.689 1 3 -0.455942576357832 561466 CC1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)C4C(=O)CC(CC4=O)(C)C 1 3.405 1 5 -3.69644774050679 561465 CC1=CC(=C(C(=C1)C#N)N=C2CCCN2CC3=CC=CC=C3)C 1 4.106 3 0 -4.57708158105896 561453 C1=CC=C(C=C1)CSC2=NC3=C(N2)C(=NC=N3)N 1 2.221 5 0 -5.24906307087712 561448 C1=CC=C(C=C1)CN2C(=NN=N2)C3=CC=CS3 1 2.602 4 0 -13.238886847529 561426 C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=C2C(=O)O 1 2.569 0 4 -11.7049819372921 561405 CC1=CC=C(C=C1)S(=O)(=O)NN2C=NN=C2 1 0.422 4 2 0 -5.04253304256986 561330 C1=CC=C(C=C1)CP(=O)(CC2=CC=CC=C2)O 1 2.777 0 2 -1.62775560550928 561320 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C4=NON=C4N 1 3.085 5 1 -3.99407702345831 561240 C1=CC=C(C=C1)CN2C=CN=C2SC3=CC=C(C=C3)[N+](=O)[O-] 1 4.061 3 2 -2.64027593544548 561230 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2N 1 2.036 3 1 -7.39633791011677 561201 C1=CC=C2C(=C1)C=CC=C2C3=NNN=N3 1 2.207 4 0 3.58793838855044 561158 CC(C)(C)OC(=O)NC(CC1=CN=CN1COCC2=CC=CC=C2)C(=O)OC 1 2.228 3 5 0 -18.346484166352 561109 C1CCC2(C1)C(CC(=O)O2)C(=O)NCC3=CC=CC=C3 1 2.016 1 3 -9.67057600289653 561049 CC(=O)CC1C(=C(C(=O)O1)Br)NCC2=CC=CC=C2 1 1.518 1 3 0 -7.75001139315023 561041 CCOC(=O)C(C(F)(F)F)(NC(=O)C)OCC1=CC=CC=C1 1 2.281 1 4 -7.421811704035 560996 CC1=CC=C(O1)C2CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4 1 4.615 2 1 -6.10310670668331 560967 C1C(=O)NC(=O)CN1CC2=CC=CC=C2 1 0.433 2 2 0 -4.68827533593251 560957 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)CC2 1 1.197 1 3 0 -13.4149697862975 560765 C1=CC(=CC=C1C2=CSC(=N2)CC(=O)N)Br 1 2.424 2 1 2.7904963470956 560762 CNC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.004 3 2 1.11163423227989 560761 C1=CC=C(C=C1)C2=C(N=NN2C3=C(C=C(C=C3)F)F)C(=O)O 1 3.868 3 2 -6.50863576591334 560749 C1=CC(=CC(=C1)Br)C=NN2C(=NN=N2)N 1 1.329 6 0 0 -1.93080456989687 560720 COC1=CC2=CC=CC=C2N=N1 1 2.071 2 1 -0.232880396237729 560679 C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.28 3 4 0 -4.00289213932269 560381 CN(C)C(=S)OC1=CC=CC=C1C2=CC=CC=C2OC(=S)N(C)C 1 6.134 2 2 -2.54609831606225 560273 CC(C(=O)N)(C(=O)N)ON1CC1(C(F)(F)F)C(F)(F)F 1 -0.149 3 3 0 0.136072250566951 559952 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C#N 1 0.363 3 4 0 -15.7248196966715 559927 C1COCCN1CC2=C(C=CC3=C2C(=CO3)C(=O)C4=CC=CS4)O 1 3.01 1 4 1.81091065791672 559920 CCN(CC)CCCNC(=O)C1=CC=C(C=C1)OCC 1 2.269 2 2 -9.67184158055123 559889 C1COCCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4 1 2.836 3 1 -2.13483189210725 559843 COC1=CC=CC=C1NC(=O)C2CC(CN2C(=O)OC3=CC=CC=C3)O 1 1.925 2 5 0 -6.69837137074738 559842 CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)O)CCO)C 1 0.838 2 5 0 -16.6740410419576 559822 C1CC(=O)N(C1=O)CCSC(=S)N2CCOCC2 1 1.124 2 3 0 -13.8668007131707 559644 CCN(CC)CCNC(=O)C1=C(OC2=CC(=C(C=C21)OC)Br)C 1 3.055 2 3 -12.2123929118739 559643 CCN(CC)CCC1=C(NC(=C1C)C(=O)OCC)C(=O)O 1 -0.116 2 4 0 -5.86404798024511 559616 CC1(OC(C(O1)C(=O)N)C(=O)N)C 1 -2.184 2 4 0 -5.93820311108962 559421 CCOC(=O)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)OC1=O 1 1.126 2 7 0 -12.9842869185288 559418 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)OC1=O 1 0.35 2 5 0 -14.3948522608072 559412 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43 1 2.138 1 4 -16.0446689634405 559406 C1COCCN1C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O 1 0.856 2 6 0 -15.1903074209725 559377 CCN(CC)CCOC1=C(C=CC2=C1SC3=C2C(=O)N4CCCC4=N3)Br 1 3.845 3 2 -7.74446227113998 559356 CC(C)N1CC2(CN(CC(C1)(C2=O)C3=CC=CC=C3)C(C)C)C4=CC=CC=C4 1 4.214 2 1 -2.74396257115186 559346 CCCC1=CC=CC=C1OCCNC(=O)C 1 2.404 1 2 -7.02824375606245 558869 CC1=CC(=C(C=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCCCC3)C(=O)C4=CC=CC=C4 1 3.443 4 3 0 -14.147085874799 558856 CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.031 2 2 -13.6797038367554 558849 C1CCN(CC1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4CC35CCCC5 1 3.484 3 1 -6.18332543196083 558837 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3 1 2.648 2 3 -19.0701165214496 558807 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCOCC3 1 0.965 2 4 0 -20.9358968531704 558774 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3 1 1.932 2 3 0 -14.2499448234551 558772 C1CCN(CC1)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)F 1 2.978 1 2 -10.5696010396738 558758 CCN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl 1 2.999 3 2 -8.45330507580936 558750 CC1=CC(=C(C(=C1)C)NC(=O)C2CCC(=O)N2)C 1 1.859 2 2 0 -11.515725528107 558673 CC(=O)C1=C(C2=C(SN=C2S1)SCCN3CCCC3)N 1 2.453 3 1 -5.38159621713107 558625 CCOC(=O)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)OC1=O 1 2.356 2 6 0 -11.0261041970791 558610 C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br 1 2.218 1 2 -10.4108052484359 558609 COC(=O)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)OC1=O 1 2.007 2 6 0 -11.4160812915187 558538 CCN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3 1 0.997 4 5 0 -11.1229272644248 558436 C1CCN(C1)CC(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4CC4 1 2.51 2 3 -2.89583407885494 558425 C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 1.992 3 2 0 -11.2519334892529 558422 COC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CN3CCCC3 1 1.867 2 4 0 -1.15900825195891 558421 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCCC3 1 0.97 7 3 0 -22.6167516281393 558420 C1CCN(C1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN 1 -0.724 9 2 0 -21.4055769361094 558416 COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCC2 1 1.272 2 3 0 -7.326536901513 558366 CCC(C)(C#CCN1CCCCC1)OCCC#N 1 2.781 2 1 -3.3077411276173 558360 CC1=CC(=NC(=N1)C2=CC=C(C=C2)Br)N3CCCCC3 1 3.7 3 0 4.32194476080156 558239 CCOC(=O)C1=C(N2C(=CC=N2)N=N1)N 1 6.e-002 5 2 0 -12.6833590430813 558222 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(=O)O 1 1.08 4 5 0 -9.73841694664195 558062 C1=CC(=CC=C1C(CN2C=NC=N2)O)Cl 1 1.533 3 1 0 -2.04891062201946 558012 CC1(CC(=C(C(=O)C1)CC2=C(CC(CC2=O)(C)C)O)O)C 1 2.217 0 4 -5.24289744031758 557888 CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(CC(CC3=O)(C)C)O)C 1 3.106 1 6 0 -2.71031154976113 557765 CN(C)C=NC1=NON=C1C2=NC=NN2 1 -0.205 7 1 0 -3.59808576509601 557620 CN1C2CCC1CC(C2)NC(=O)CSC3=CC=C(C=C3)Cl 1 2.725 2 1 -4.81133737012188 557618 CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2CC3CCC(C2)N3C 1 3.461 2 1 -4.0552019115974 557617 CC1=CC=C(C=C1)SCC(=O)NC2CC3CCC(C2)N3C 1 2.547 2 1 -6.6333360607087 557427 CCC(=NN=C1N(C(=O)C(S1)C)CC2=CC=CO2)C3=CC=CC=C3 1 4.053 3 2 -7.32409462063772 557426 CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CO4)NC=N3 1 2.522 4 3 0 -6.46114592439201 557424 CC1=CC(=C(C(=C1)C)N=C2N(C(=O)CS2)CC3=CC=CO3)C 1 4.312 2 2 -8.07656606130525 557423 C1C(=O)N(C(=NC2=CC=C(C=C2)Cl)S1)CC3=CC=CO3 1 3.518 2 2 -4.72338312043432 557261 CCCCS(=O)(=O)NC1=NCN(CN1)CC2=CC=CO2 1 1.22 4 3 0 -8.79741039100847 557241 CS(=O)(=O)N(CCC#N)CC1=CC=CO1 1 0.114 2 3 0 -10.5432354810217 557235 C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4 1 4.257 2 3 -15.6904303407137 557217 CC(=O)C1=C(C(=O)N(C1C2=CC3=C(C=C2)OCO3)CC4=CC=CO4)O 1 1.245 1 6 0 -19.2432977576084 557197 C1=COC(=C1)CNC(=O)CCSCCC(=O)NCC2=CC=CO2 1 0.941 2 4 0 -15.098948161076 556949 CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCC4=CC=CO4 1 4.756 4 1 -10.5669999578223 556948 C1=COC(=C1)CNC2=NC(=NC(=N2)NC3=CC=C(C=C3)O)Cl 1 2.615 5 2 0 0.52143405216886 556931 C1COCCN1C2=C(C=CC(=C2)SCC3=CC=CO3)[N+](=O)[O-] 1 2.881 2 4 -2.74699994309371 556847 CC(=NNC(=O)C1CC12CCC2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 1.485 4 4 0 -4.91418595074742 556822 C1CC2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC=C4 1 2.143 1 2 0.945286739002833 556679 CC(=O)NC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.332 3 5 0 -10.9466839747315 556666 C1=CC=NC(=C1)SCC2=CC=C(C=C2)C(F)(F)F 1 4.286 1 0 -0.377185336161977 556350 C1CCCCCC(=NNC(=O)C2=CC=CC=N2)CCCCC1 1 4.423 3 1 -10.9243864574407 556229 C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(O2)C=NN3C=NN=C3 1 3.578 4 1 2.93840123049864 556224 C1=CC(=C(C=C1[N+](=O)[O-])C2=CC=C(O2)C=NN3C=NN=C3)Cl 1 2.808 5 3 0 3.0379198957083 556143 CC1=C(SC(=N1)C)C2=CSC(=N2)NC3=CC=CC=N3 1 2.365 4 0 9.24044110191751 556130 C1=CC=NC(=C1)SC2=NN3C(=NN=C3C(F)(F)F)C=C2 1 3.248 5 0 -4.63411334901171 556113 C1=CC=C(C=C1)C(=O)C2=CN=CN2 1 1.412 2 1 0 2.23471137278317 556059 COC1=C(C=C(C(=C1)C=NNC(=O)C2=CC=NC=C2)[N+](=O)[O-])OC 1 1.394 4 5 0 -11.2100626338912 556056 CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC 1 3.633 1 5 -5.17565809894751 556052 C1=CC(=CC(=C1)O)C=NN2C(=NN=N2)N 1 0.338 6 1 0 -2.14959335864416 556050 CC1(CC(=O)CC(N1OC(=O)C2=CC=CC=N2)(C)C)C 1 1.42 2 3 0 -3.44343051502601 556048 CC(=NNC(=O)C1=CC=NC=C1)CC(=O)NC2=CC=CC=N2 1 0.193 5 2 0 -8.50050799996245 556042 C1=CC=C(C(=C1)C2=CC=C(O2)C=NNC(=O)C3=CN=CC=C3)[N+](=O)[O-] 1 2.632 4 4 0 -6.64561412204572 556017 COC1=C(C=C(C=C1)C2=CSC(=N2)NC3=CC=CC=N3)OC 1 3.042 3 2 5.75592777000466 555975 C1=CN=CC=C1C=NNC(=O)C2=NON=C2N 1 -0.442 6 2 0 -12.2650317808671 555905 CC1=CC(=O)OC2=C1C(=NN2C3=CC=C(C=C3)Br)C 1 3.728 2 2 -1.15475193525476 555883 CC1=NC2=C(C(=C1)COC)C(=C(O2)C(=O)C3=CC=CC=C3)N 1 2.217 2 3 -1.96870860575185 555843 CCSC1=C(C(=O)N(N=C1)C2=CC=CC=C2)Cl 1 2.441 2 1 -1.72677848649189 555825 C1CCC2C(C1)C(=O)CCN2S(=O)(=O)C3=CC=CC=C3 1 2.159 1 3 -10.564834151142 555820 C1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC=CC=C3 1 3.762 2 1 10.1807175044318 555806 C(CP(=O)(CCC(F)(F)F)CCC(F)(F)F)C(F)(F)F 1 2.405 0 1 -2.89779825598636 555795 COC1=CC(=NN(C1=O)C2=CC=CC=C2)Cl 1 1.72 2 2 0 -0.451135800825815 555792 CC(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2 1 2.02 1 3 -7.30903959263174 555773 CN1C(=NC(=N1)[N+](=O)[O-])OC2=CC=CC=C2 1 2.313 4 3 0 -1.19684995408556 555760 C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3F 1 2.713 2 3 -18.3249750586568 555746 C1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=C2)Cl 1 2.37 2 2 -1.96681436325269 555700 C1=CC2=NON=C2C(=C1N)[N+](=O)[O-] 1 0.547 4 3 0 2.15364452234881 555682 COC(=O)C1=C(N=CN1)C(=O)C2=CC=CC=C2 1 1.696 2 3 0 -6.55165237520984 555670 CCN1C2=CC=CC=C2C(=O)C=C1O 1 2.354 1 2 2.13571438523358 555647 C1=CC=C(C=C1)S(=O)(=O)NCCSC2=NC3=CC=CC=C3O2 1 2.998 2 3 -5.63091886447231 555562 CN1C(=NN=N1)SCCNS(=O)(=O)C2=CC=CC=C2 1 0.783 5 2 0 -17.1795548517719 555537 C1=CC=C(C=C1)OCCNC(=O)CSC2=NC3=CC=CC=C3O2 1 3.131 2 3 -11.0717109161707 555517 C1C(ON=C1C2=CC=CC=C2)C(=O)O 1 1.227 1 3 0 -4.71779385270003 555509 CC1=NN(C(=O)C1N=NC2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4 1 4.36 4 1 5.63821060026809 555493 CN(C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O)C(=O)COC2=CC=CC=C2 1 2.864 1 5 -7.9054259160575 555490 C1=CC=C(C=C1)N=NC2=CC=C(C=C2)CO 1 3.594 2 1 4.67197550746276 555472 C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)OC(=N4)C5=CC=CC=C5 1 5.329 1 2 -5.1618899005743 555398 C1=CC=C(C=C1)N=NN(CC#N)C2=CC=CC=C2 1 3.521 4 0 2.92665939912248 555391 C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3C(=O)O 1 3.091 1 3 3.22812831363313 555359 C1=CC=C(C=C1)N2C=C(C=N2)O 1 1.814 2 1 0 6.45519431734058 555301 C1=CC=C(C=C1)OCC(=O)NC2=NC=NN2 1 0.751 4 2 0 -7.96112573331144 555289 CC1=CC=CC=C1NC(=O)CSC2=C(C(=CC(=N2)C)C)C#N 1 3.53 3 1 -17.41718134868 555263 CN1C2=CC=CC=C2C(=C1CC(=O)NC3=CC=CC=C3)SC 1 3.982 2 1 -3.51209057244391 555237 C1=CC=C(C=C1)N2C(=C3C=CC(=CC3=[N+]2[O-])[N+](=O)[O-])C#N 1 2.614 4 3 0 -0.774353502239958 555231 C1=CC=C(C=C1)N2C=C3C=CC(=CC3=N2)[N+](=O)[O-] 1 3.287 3 2 5.96164017581093 555204 C1=CC=C(C=C1)S(=O)(=O)NN2C=NN=C2 1 -6.4e-002 4 2 0 -5.93854268180602 555198 C1=CC=C(C=C1)NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-] 1 3.917 3 4 0 2.23529279033796 555185 COC1=C(C=NN(C1=O)C2=CC=CC=C2)Cl 1 1.534 2 2 0 0.547774566960252 555174 C1=CC=C(C=C1)C(COC2=CC=CC=C2O)O 1 2.644 0 3 0.328493691596097 555152 C1=CC=C(C=C1)OCP(=O)(COC2=CC=CC=C2)O 1 2.839 0 4 -1.32236478469362 555114 C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)CC(=O)O 1 0.407 2 4 0 -17.4377719168062 555113 CN1C=NN=C1SCCNS(=O)(=O)C2=CC=CC=C2 1 1.043 4 2 0 -15.9881319765517 554989 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC=C(C=C3)Cl 1 2.491 2 2 1.48946795686069e-002 554985 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=CC(=C3)C(=O)O 1 2.075 1 4 -2.88979306157484 554213 C1=CC(=C(C=C1C2=NN=C(S2)N)Cl)Cl 1 2.811 3 0 2.19760231861824 554211 C1=CC=C(C(=C1)C2=NN=C(S2)N)Cl 1 2.146 3 0 2.00888909264772 554209 C1=CC=C(C(=C1)C2=NN=C(S2)N)F 1 1.687 3 0 0 0.998866250278713 554208 C1=CC(=CC=C1C2=NN=C(S2)N)F 1 1.687 3 0 0 2.79685341038302 551940 CC(C)NCC(C1=CC(=C(C(=C1)F)OC)OC)O 1 1.755 1 3 0 -2.01052978197269 551934 C1CN2CC3CN1CC(C2)(C3(CN4CCOCC4)O)C5=CC=CC=C5 1 0.537 3 2 0 -0.844995837474102 551931 CCCC1=C(N=C(N=C1OC(=O)N(C)C)C2=CC=C(C=C2)C)C 1 4.347 3 2 0.931716154070695 551929 CC12CN3CCN(C1)CC(C3)C2=NNC(=O)N 1 -0.681 5 1 0 -8.27142817853622 551870 CCC1=C(SC(=C1C#N)NC(C(=O)OCC)(C(F)(F)F)NC(=O)N(C)C)C 1 3.241 4 3 0 -14.8315531286349 551831 CCN(CC)S(=O)(=O)C1=CC=CC2=NSN=C21 1 1.772 3 2 0 -7.59681861775949 551783 CC12CN3CCN(C1)CC(C3)C2(CN4CCOCC4)O 1 -0.495 3 2 0 -1.64172636088642 551781 CCN(CC)C(=O)CN1C(=O)N(C(=O)N1CC(=O)N(CC)CC)C2=CC=CC=C2 1 1.065 5 4 0 -11.1447754505386 551775 CCN(CC)C(=O)CSC1=C(C(=CC(=N1)C)C2=CC=CS2)C#N 1 3.356 3 1 -19.8748895264897 551704 CC(C)NCC(C1=C(C(=C(C=C1)OC)OC)F)O 1 1.755 1 3 0 -1.4023776942456 551686 C1CN2CC3CN1CC(C2)(C3=NNC(=O)NC4=CC=CC=C4)C5=CC=CC=C5 1 2.134 5 1 -5.14727617343199 551685 CC(=CCC12CN3CCN(C1)CC(C3)C2=O)C 1 1.47 2 1 0 -7.18550815083793 551669 CC1(CC(C(N1O)(C)C)O)C 1 0.26 1 2 0 0.26492929801101 551602 CC12CN3CCN(C1)CC(C3)C2=NN=C4C5CN6CCN(C5)CC4(C6)C 1 0.515 6 0 0 -3.16969320916223 551582 CC(C)NCC(=O)C12CC3CC(C1)CC(C3)C2 1 2.647 1 1 -1.96520035738361 551547 C1CC(OC1)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4 1 4.278 2 2 -8.53314484413833 551518 CN1CCOCCOCCOCCN(C1=S)C 1 1.155 2 3 0 -3.44946302953898 551498 C1CC(OC1)CNC(=O)C(=O)NCCC2=CC=CC=C2 1 0.991 2 3 0 -15.5820557821234 551361 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)C(=O)NCC3CCCO3 1 0.963 2 4 0 -12.2946426505847 551311 C1CC(OC1)CNC=C2C(=O)CC(CC2=O)C3=CC=CC=C3 1 1.354 1 3 0 -14.8081481339234 551256 CC1=CC(=CC=C1)NC(=O)C(=O)NCC2CCCO2 1 1.149 2 3 0 -12.8501098213766 551245 C1CC(OC1)CNC(=O)C2=NON=C2N 1 -0.578 4 3 0 -18.2187750259116 551154 CC1=C(N=NN1C2=NON=C2N)C(=O)N3CCCC3 1 0.174 7 2 0 -23.4685777037097 551120 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3C(=O)OC(C)(C)C 1 3.498 3 3 -7.7743787625516 551118 COC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)OC3=CC=CC=C3 1 3.015 2 4 -7.675538336441 551117 CC1=CC(=CC=C1)NC(=O)C2CCCN2C(=O)OC3=CC=CC=C3 1 3.518 2 3 -5.45272878577428 551109 C1CCN(C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)N3CCCC3 1 1.474 3 4 0 -8.38534982727163 551073 CC1CC(C(CN1C)C)(C(C2=CC=CC=C2)C(=O)OC)O 1 1.885 1 3 0 -7.17213072068107 551050 C1COCCN1C(=O)COCC(=O)N2CCOCC2 1 -2.043 2 5 0 -8.6085233509513 551046 C1CC(N(C1)C(=O)C(=O)N2CCCC2CO)CO 1 -0.96 2 4 0 -3.47368566764742 551033 CN(CC#CCN1CCCC1)C(=O)C2=CC(=CC=C2)Cl 1 3.098 2 1 -0.229972310661163 551032 CN1CCN(CC1)C(=O)CC2=CC=C(C=C2)OC 1 1.219 2 2 0 -5.44567775740864 551021 CC1=CC(=C(C=C1)C)NC(=O)C2CCCN2C(=O)OC(C)(C)C 1 3.359 2 3 -11.5038451617916 550986 CC1CC(C(CN1C)C)(CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)O 1 3.01 1 2 -0.599819614159361 550974 COC1=CC=CC=C1NC(=O)C(=O)N2CCCC2 1 0.954 2 3 0 -11.5087256245946 550958 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCCC2C(=O)O 1 0.57 2 5 0 -12.5426925052495 550926 CC1=C(C2=CC(=C(C=C2O1)Br)OC)C(=O)N3CCN(CC3)C 1 2.382 2 3 -8.23272551563522 550849 CC(C)(C)N1CC(OC1=O)COC2=CC=CC=C2 1 2.633 1 3 -3.42182067193236 550774 C1CC(NC1)C(=O)N 1 -0.766 2 1 0 -6.8572512257335 550729 CC1CC(C(CN1C)C)(C2=C(C=CC(=C2)C)C)O 1 2.991 1 1 0.32938989293068 550711 CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)F)F 1 1.612 2 1 0 -0.711586455353291 550703 CC1CN(CCN1S(=O)(=O)C)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.213 3 4 0 -5.12792980425874 550685 CC1(C(OC(=O)C(C1=O)(C)C)C2=CC=C(C=C2)[N+](=O)[O-])C 1 3.131 1 5 -5.60311762135928 550653 CC1CC(C(CN1C)C)(C2=CC=C(C=C2)C)O 1 2.504 1 1 1.12266926887749 550627 CCCNC1=NC(=NC(=N1)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F 1 5.771 4 2 -5.17729726074043 550594 COC(=O)C1(C2=C(C=CC(=C2)Cl)NC(=N1)C(F)(F)F)C(F)(F)F 1 3.529 2 2 1.13632201970738 550278 CCOC(=O)C1=NN(C(=O)C(=N1)N)C2=CC=C(C=C2)C 1 1.241 4 3 0 -5.94852834404307 550273 CSC1=NC(=O)C(=NN1)C2=CC=CC=C2 1 2.225 3 1 -7.16392172775556 549747 C1CC1C(=O)OC2=CC=CC3=CC=CC=C32 1 3.263 0 2 -6.65033129281572 549527 CC(=C)C(=O)NC1=CC(=C(C=C1)OC(C(F)F)(F)F)NC(=O)C(=C)C 1 3.839 2 3 -9.40258335663359 549530 C1CC1C(=O)COC2=CC=CC=C2C#N 1 2.032 1 2 -7.02071755539422 549453 CC1(CC(=CC(=O)C1)NC2=C(C=C(C=C2)F)F)C 1 3.114 1 1 -11.7650481735442 549445 CC(C)C1=NN2C(=N)CC(=O)N=C2S1 1 1.648 4 1 0 -12.2855436507654 549417 CCCSC1=NC(=O)C=C(N1)N 1 1.107 3 1 0 -11.7401629354516 549295 CCN(CC)C1=NC2=NON=C2N=C1N(CC)CC 1 1.047 6 1 0 -12.4211836838276 549251 C1CC2=[N+](ON=C2C(=O)NC1)[O-] 1 -2.882 3 3 0 -7.43578405641037 549249 CC1(CC(=CC(=O)C1)NC2=CC(=C(C=C2)F)Cl)C 1 3.573 1 1 -10.6149256264331 549228 CN1CC(=O)N(C2=C(C1=O)N(C(=N2)Br)C)C 1 0.165 4 2 0 -4.98659903831484 549134 CC1=CC(=NC(=N1)SC2=NN3C(=NN=N3)C=C2)C 1 1.118 7 0 0 -10.2063166734071 548924 CC1=NC(=CC(=N1)NN=CC2=CC(=CC=C2)F)N3CCOCC3 1 2.122 5 1 0.99744278500053 548922 CC1=NC(=CC(=N1)NN=C(C)C2=CC(=CC=C2)[N+](=O)[O-])N3CCOCC3 1 1.791 6 3 0 -6.61832849503592 548915 C1CCC(CC1)(CO)C2=NOC(C2)(C(F)(F)F)O 1 2.035 1 3 -1.23857107271046 548838 CCOC(=O)CC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=CC=C3 1 1.018 3 3 0 -7.7448349589858 548802 C1C2C=CC1C3C2C(=O)N(C3=O)CCCO 1 -0.367 1 3 0 -1.13063640915764 548693 CC1=NC(=CC(=N1)NN=C(C)C2=CC=C(C=C2)F)N3CCOCC3 1 2.102 5 1 -2.96761966937959 548688 C=C(COC(=O)C1C2CC(C1C(=O)O)C=C2)Cl 1 1.548 0 4 0 -4.01521780742424 548648 CC1=C(C(=NC(=N1)C2=CC=CC=C2)NN=C(C)C3=CC=C(C=C3)N)CC=C 1 3.716 5 0 0.228298826981007 548573 C1=CC(=NC=C1Cl)N=C2C(=NSS2)Cl 1 2.821 3 0 9.77777621503689 548516 C1CC2=[N+](ON=C2C3=C1N=NC=C3)[O-] 1 -2.112 4 2 0 -1.8932003986763 548515 COC1=CC2=[N+](ON=C2C=C1)[O-] 1 -1.307 2 3 0 4.9899511859919 548479 C(CO)NC(=O)C1=NSN=C1NCCCl 1 -0.17 4 2 0 -10.3920637357644 548435 CN1C2=CC=CC=C2SC1=NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.904 4 2 -4.53273248379696 548291 C1=CC(=C(C(=C1)F)C=NNC(=O)N)F 1 1.22 3 1 0 -5.60717706806658 548290 C1=C(C=C(C=C1F)F)C=NNC(=O)N 1 1.22 3 1 0 -3.99345064576434 548288 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NN=C(S2)N 1 1.791 4 3 0 -11.077849477533 548252 C1=CC(=C(C=C1Cl)[N+](=O)[O-])SC2=NN=C(S2)N 1 2.776 4 2 -0.918800926938151 548128 COC(=O)CSC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)OC 1 1.736 2 6 0 -14.4669608099509 548071 CC(C)(C1(CC(ON1)C2=CC=C(C=C2)OC)O)O 1 0.91 1 4 0 1.00833641930497 548045 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)C)C 1 2.229 2 2 -2.76708235985294 548037 CC1=NN=C(S1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O 1 1.976 4 4 0 -6.43251665326763 547914 COC(=O)C1=C(SC(=S)S1)C(=O)OC 1 2.071 0 4 -4.34332166215748 547830 COC(=O)CCS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl 1 2.64 0 4 -14.1180139099619 547574 CN(C)CCN1C(=O)C2C3CC(C2C1=O)C=C3 1 0.249 2 2 0 -2.85896484787364 547532 CCCC12CN3CCN(C1)CC(C3)(C2=O)CCC 1 2.341 2 1 -4.97755977587271 547482 CC12CN3CCN(C1)CC(C3)(C2=NO)C 1 0.583 3 1 0 0.2001011170761 547413 CC1=NOC(=N1)COC2=CC=CC=C2OCC(=O)N 1 0.153 3 4 0 -8.48998701215134 547409 CC1(CC(=NOC(=O)C2=CC=CC=C2)CC(N1)(C)C)C 1 2.268 2 2 -5.42189415367432 547407 CN1CC2(CC(C1)(CN(C2)C)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4 1 3.113 2 2 -2.16114652308914 547348 CC1CN(CCC1=O)C2CC(NC(C2)(C)C)(C)C 1 1.286 2 1 0 -6.66131716698862 547207 CN(C)CCCNC(=O)C1=C(C=CC(=C1)Br)O 1 1.745 2 2 0 -0.929881545666819 547159 CCOC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCN(C)C)C 1 1.547 3 3 0 -4.1437354396714 546968 CN(C)CCCNC1=C(C(=O)NN=C1)Cl 1 -0.5 4 1 0 -6.70189850300304 546910 CC1(CC(=O)NCC(N1)(C)C)C 1 7.5e-002 2 1 0 -9.88673921807045 546665 CC(C)(C)S(=O)(=O)C1=CN=C(N=C1N)C2=CC=C(C=C2)Cl 1 2.585 3 2 4.40264136327292 546358 CC(C)(C)C(=O)NC1=CC(=CC=C1)OC 1 2.48 1 2 -9.87858336610982 545836 CN1CCOCCOCCN(C1=O)C 1 -0.662 2 3 0 -5.723734570491 545498 CC(C)(C)NC(=O)CN1C(=NN=N1)C2=NON=C2N 1 -0.919 8 2 0 -25.6314351697991 545421 CC1=C(C(C(OC1=O)C2=CC=CC=C2)(C)C)OC(=O)C(C)(C)C 1 4.379 0 4 -6.60996071267534 545282 CC(C)(C)C1=NN2C(=CC(=NC2=C1Br)C(F)(F)F)OC 1 4.573 3 1 0.957244812265167 545070 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CN=CC=C3 1 1.368 4 1 0 -8.05950220496391 545069 CC1=C(C=NN1C)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.142 3 2 -1.81403857475138 545057 CCCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)F 1 3.644 2 3 -17.0640408964475 545048 CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)F 1 3.188 2 3 -16.5973553724699 545034 CCCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3)F 1 3.895 2 2 -10.2438481041091 545033 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)SC(C(=O)OC)(C(F)(F)F)F 1 2.727 2 3 -10.8407936273253 545029 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=O)C34CC5CC(C3)CC(C5)C4 1 2.804 3 2 -7.8653415662824 545021 CC1=C(C(NC(=O)N1C)C2=CSC=C2)C(=O)OCCOC3=CC=CC=C3 1 2.565 2 4 -20.7857489543065 545020 CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Br)F 1 4.234 2 2 -5.12726336012247 545012 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C 1 -0.167 3 3 0 -14.2071592260571 545011 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NN=C(C(=O)C)C(=O)C 1 8.6e-002 4 3 0 -11.3830721783964 544948 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)C3CCCCC3)O 1 2.57 1 3 -12.83801239672 544950 CCN1C=C(C(=N1)C(=O)N2CCCC3=CC=CC=C32)[N+](=O)[O-] 1 2.673 4 3 0 -11.2243028455095 544979 CC1=C(C(=NC(=C1Cl)C)S(=O)(=O)NCC=C)C#N 1 2.058 3 2 -9.69436296135897 544962 CC(C)N1CCC2=C(C1)SC(=C2C#N)N 1 1.701 3 0 0 -4.87805697277984 544952 CC1(C(=C)N(C(=O)O1)C2=CC=C(C=C2)Cl)C 1 3.114 1 2 -0.941935084585434 544906 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])F)C(=O)C3=CC=CS3 1 2.926 3 3 -7.80503997627659 544900 CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)F 1 3.81 2 3 -1.77553510402399 544877 C1CCC(CC1)NC(=O)NCC2=CC=CC=C2 1 2.811 2 1 -9.5415758082613 544872 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=NC=C3 1 1.368 4 1 0 -8.16277457863894 544828 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 1.475 6 2 0 -7.96465599664647 544682 CC(=O)N1CCC(CC1)C(=O)C2=CC=C(C=C2)Cl 1 2.12 1 2 -0.763406515462566 544487 C1CCN(C1)C(=O)COC2=C(C=C(C=C2)Cl)Cl 1 2.869 1 2 -4.50146382836212 544462 CC1=CC(=O)NC(=C1C#N)SCC(=C)C 1 2.248 2 1 -15.1289460693273 544460 COC1=CC=CC(=C1)C2C(CCC(=O)N2)[N+](=O)[O-] 1 1.363 2 4 0 -7.95302135425395 544412 C1CCC(CC1)CC#CC2=CC(=CN=C2)C(=O)O 1 3.547 1 2 -0.36004549899885 544374 C1COCCN1C2CS(=O)(=O)C=C2 1 -0.612 1 3 0 -2.913771301901 544354 C1COCCN1C2=NSNC2=O 1 -0.733 3 2 0 -3.85288738933902 544326 CC(C(=O)O)SC1=NN=NN1C2CCCCC2 1 2.047 4 2 -24.2530241306863 544174 CC1(CC(=CC(=O)C1C(=O)OC)N2CCOCC2)C 1 0.904 1 4 0 -6.14808584699979 543990 C1=CC(=O)N(NC1=O)CCC(=O)O 1 -1.074 2 4 0 -7.98719316574544 543941 C1CCC2C(C1)C2C(=O)NC3=CC=CC=C3Cl 1 3.416 1 1 -0.850907101586517 543616 CCOC(=O)CC1=NNN=N1 1 1.9e-002 4 2 0 -9.35365651768386 543435 C1CCC(CC1)NC2=NN=NN2C3=CC=CC=C3 1 2.453 5 0 -10.3347993954786 543256 C1CC2=[N+](ON=C2C3(C1N(CC3)O)O)[O-] 1 -3.356 3 4 0 1.35194601023094 543159 CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)C=CC2=O 1 2.01 1 4 -5.28892668808397 542910 C1=CC(=CC=C1N2C=NN=N2)O 1 0.474 4 1 0 -8.39569760843704 542899 C1=CC(=CC=C1C2=NC3=C(O2)C=C(C=C3)N)N 1 1.787 3 1 0 10.6283985668048 542880 CCOC(=O)N1C2=CC=CC=C2[N+](=N1)[O-] 1 1.572 3 3 0 -1.27096639529296 542872 CCC1C(=O)N=C(S1)NN=CC2=CC=CO2 1 2.354 3 2 -6.23979692130771 542857 CCS(=O)(=O)NC1=CC=C(C=C1)CC2=CC=NC=C2 1 1.913 2 2 0 -3.71031852033807 542839 CC1=NON=C1C(=O)NN=CC2=CC=CC=C2 1 1.198 4 2 0 -11.1143419352151 542833 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 2.286 3 5 0 -0.317782172341944 542828 C1=CC=NC(=C1)C2=NC3=C(N2)C=C(C=C3)N 1 1.801 4 0 0 6.11759570549182 542822 C1=CC=C(C=C1)C2=NN(C(=C2)C#N)C3=CC=CC=C3 1 4.173 3 0 2.67547908271558 542784 C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.035 2 4 -7.20080708031475 542526 CC1=C(C=CC(=C1)N(CCO)CCO)C(C2=C(C=C(C=C2)N(CCO)CCO)C)C3=CC=CC=C3Cl 1 4.892 2 4 -2.92745449097814 542507 COCC1=C(N=NN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)OC 1 2.591 4 5 0 -9.03841754194433 542364 CCOCCOC(=O)NCCCCCCNC(=O)OCCOCC 1 1.843 2 6 0 -14.2064136689108 542184 CC1=NC(=C(N1)[N+](=O)[O-])SCC(COC)O 1 0.436 3 4 0 -8.02683785670533 542139 CC(=O)NC1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)C 1 3.805 4 2 1.77397640878556 542080 CN1CC2(CC=C(C(C2)(C1)[N+](=O)[O-])OC3=CC=CC=C3)[N+](=O)[O-] 1 2.062 3 5 0 1.25330631806837 542029 CC(=O)NC(C1=CC=CC=C1)C2=CN=CC=C2 1 1.418 2 1 0 -11.3117256467258 541928 CN(C)S(=O)(=O)C1=CC=CC2=NSN=C21 1 1.074 3 2 0 -5.52285433374961 541881 C1=CC(=CC=C1S(=O)(=O)CCC(=O)N)Cl 1 1.122 1 3 0 -8.74446199565802 541836 CC(C1COC2=CC=CC=C2O1)NCC3=CC=CC=C3 1 3.208 1 2 -2.1416877436621 541832 CNCC(C1=CC(=C(C(=C1F)OCC2=CC=CC=C2)OCC3=CC=CC=C3)F)O 1 4.402 1 3 -0.775579930798776 541830 CNCC(C1=CC(=C(C=C1F)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O 1 4.196 1 3 -2.44997369803228 541823 CC(C)OC(=O)C1=CC2=CC=CC=C2OC1=O 1 2.441 0 4 -11.1254466622823 541808 CC(CCC1=CC=CC=C1)NC(=O)C 1 2.112 1 1 -6.61770641978153 541760 CN(C)C(=O)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1 0.927 4 7 0 -5.48965075879522 541723 CC(C1CC2CCC1C2)NC(=O)C3CCCC3 1 3.286 1 1 -4.23503249912323 541702 C1C2CC3(CC1CC(C2)(C3)CC(=O)N)CC(=O)N 1 0.515 2 2 0 -2.69829465013067 541603 CN(C)P1(=NC(=NC(=N1)C(F)(F)F)C(F)(F)F)N(C)C 1 0.754 5 0 0 -0.3036530418788 541602 CN1CC2(CC=C(C(C2)(C1)[N+](=O)[O-])OCCO)[N+](=O)[O-] 1 -5.4e-002 3 6 0 -0.30320938790745 541532 CN(C)C=NC1=NC=C2C3=CC=CC=C3NC2=C1C#N 1 2.098 5 0 0.345459477118383 541459 CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)NC3=CC=CC=C3C(=O)O 1 3.667 3 3 -8.56656729926105 541448 CC(C)NC(=O)NCCCCCCS(=O)C 1 1.152 2 2 0 -14.1374865876156 541227 CCCC(=O)NN1C=NC2=C(C1=O)C3(CCCCC3)CC4=CC=CC=C42 1 3.436 3 2 -11.7669985681053 541218 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3S2 1 2.063 3 3 -3.70740069302782 541175 CCOC1=CC2=C(C=C1)N=C(S2)NC(C(=O)OC)(C(F)(F)F)NC(=O)C 1 2.422 3 4 0 -9.27815062530592 541138 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCC(CC3)C(=O)OC 1 2.782 2 4 -10.1454483232179 541104 CC1=CC(=C2C(=C1)SC(=N2)NC(C(=O)OC)(C(F)(F)F)NC(=O)C)C 1 3.062 3 3 -6.10861855459144 541049 CC1=CC2=C(C=C1)N=C(S2)NC(C(=O)OC)(C(F)(F)F)NC(=O)C 1 2.576 3 3 -5.67503343250003 541020 CC(=O)NNS(=O)(=O)C1=CC=C(S1)C2=NN(C(=C2)C(F)(F)F)C 1 1.818 4 3 0 -5.82887871792964 540952 CCOC(=O)C1=C(SC2=C1C=CC(=C2OC)Br)NC(=O)C 1 2.872 1 4 -5.66813242226581 540880 CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC=C(C=C1)Br 1 1.601 3 3 0 -11.5121817643114 540833 CC(=O)NC1=CC=C(C=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)NC(=O)C 1 1.858 4 2 0 -1.31796575955356 540830 CC1=C(C2=C(N1OC)C=CC3=[N+](ON=C32)[O-])C(=O)C 1 -3.335 3 4 0 0.23877996233853 540740 CC(=O)N1CCC(=CC1)C2=CC(=C(C=C2)OC(=O)C)OC 1 1.417 1 4 0 -8.23653038609099 540728 CCOC1=CC=C(C=C1)CNC2=NC=NC(=N2)N 1 1.493 5 1 0 -1.28467829039709 540690 CC(=O)N1CC2(CN(CC(C1)(C2(C)C)[N+](=O)[O-])C(=O)C)[N+](=O)[O-] 1 -0.481 4 6 0 -6.76590258751404 540689 CC(=O)OC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 1.836 1 6 0 -10.6458753514539 540571 CC(=O)NC1=C(C=NN(C1=O)C2=CC=CC=C2)Cl 1 0.671 3 2 0 -2.6267945205589 540557 CC(=O)NC1=CC(=C(C2=C1N=CC=C2)[N+](=O)[O-])OC 1 1.014 3 4 0 -6.77915230625308 540555 CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1N(C(=O)C)C(=O)C 1 1.364 3 3 0 -15.0650049260159 540540 CC(=O)N=C1N(C2=NC3=CC=CC=C3N=C2S1)N(C(=O)C)C(=O)C 1 1.85 5 3 0 -4.65950541357162 540523 CCC(=O)OC1=CC2=C(C=C1)C(=C3CC(OC3(O2)OC(=O)C)C)C 1 3.973 0 6 -8.14821932290216 540501 CC1=C2C(C(C(CC2=NO1)(C)O)C(=O)C)C3=CC=CO3 1 0.941 1 4 0 -13.1849975448902 540469 CCOC(=O)C1=C(SC2=C1CCC(=C2Cl)C=O)NC(=O)C 1 2.281 1 4 -11.0243968816093 540445 CC(=O)N1CCC(=O)NC2=C1C=C(C=C2)[N+](=O)[O-] 1 0.105 3 4 0 -13.7731928874516 540424 CC1=CC(=C(C=C1C(=O)C)F)N2CCCC2 1 2.884 1 1 -3.63067324110032 540404 CC(=O)C1=CC2=C(C=CC(=C2)OC)OC1=O 1 1.573 0 4 0 -7.19987319651481 540397 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)C 1 2.524 1 1 0.201213221257207 540392 CC(=O)NC1=NON=C1C2=NC3=CC=CC=C3N2N(C(=O)C)C(=O)C 1 0.528 6 4 0 -5.6203353583636 540386 CC1=C(C(C(=C(O1)N)C#N)C2=CC=CO2)C(=O)C 1 0.674 2 3 0 -14.5999701575485 540364 CCCCOC1=C(C=C(C=C1)CN=C(N)N)Cl 1 2.778 3 1 -0.826640625355354 540360 CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C 1 0.35 2 5 0 -19.1083868808033 540331 CC(=O)NC1=NC(=CS1)C=C(Cl)Cl 1 1.668 2 1 0 -2.53304828732736 540306 CC(=O)N1C(SC(=N1)NC2=CC=CC=C2)(C)C 1 1.705 3 1 0 -6.21432534755581 540289 CCOC(=O)C1=C(SC2=C1C=CC=C2NC(=O)C)N 1 1.394 2 3 0 -4.50386125688053 540240 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)Br 1 2.483 2 2 -6.69664464407278 540218 CCOC(=O)C(C(F)(F)F)(NC(=O)C)N1CCOCC1 1 0.655 2 4 0 -9.85895548119453 540211 CCOC1=CC(=C(C=C1)NC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-] 1 -0.29 2 8 0 -16.0781534820879 540185 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)NC(=O)C 1 2.946 3 3 -12.010140321994 540178 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NNC(=O)C3=NN(C=C3Cl)C 1 2.825 5 3 0 -8.77876471417746 540145 CC1=C(C=C(C(=N1)C)C(=O)C)C(=O)C 1 0.724 1 2 0 -4.68991947948036 540144 CC1=C(N=NN1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C 1 1.797 4 3 0 -8.57553788018762 540143 CC1=C(N=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C 1 1.797 4 3 0 -9.17445053368278 540142 CC(C)C(=O)NC1=C(NC2=CC=CC=C2C1=O)O 1 1.606 2 3 0 -9.40792972648669 540085 CC(=O)NC1=NN(C2(S1)CCCCC2)C(=O)C 1 1.303 3 2 0 -8.93675539504588 540026 CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C)OCC 1 1.182 1 4 0 -11.167216186917 539959 CCOC1=CC=CC(=O)C2=C(OC(=C12)C)C 1 1.771 0 3 0 -1.36198009653017 539910 CCOC(=O)C1=NON=C1NC(=O)C 1 -7.4e-002 3 4 0 -11.7619364830966 539796 CC1=C(CC2(C(C1)CC3C2(CCC4C3CCC5=CC(=O)CCC45C)C)C(=O)C)C 1 5.518 0 2 -14.2361279918444 539739 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCC4=CC=CC=C43 1 3.441 2 2 -11.5457133922442 539714 CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=C(N=N2)C(=O)C)C 1 2.283 4 3 0 -11.3303332354582 539709 CC(=O)NC1=NC(=O)CS1 1 8.9e-002 2 2 0 -11.2102259289134 539703 CC1=NC=C(N1CC(=O)NC2=C(C=C(C=C2)F)F)[N+](=O)[O-] 1 1.25 4 3 0 -10.441250829117 539696 CCCC1CC(OC1=O)(C)C(=O)CN2C(=O)C=CC(=O)N2 1 0.563 2 5 0 -8.24626339762042 539683 CCCOCC1CC2(CC(OC2=O)(C)C3=CSC(=N3)N)C(=O)O1 1 1.38 2 5 0 -1.55103805160346 539592 CCCC1C(C(C2(CC1(NC2=O)N)C#N)(C#N)C#N)C3=CC=C(C=C3)OC 1 1.105 5 2 0 -4.72439290584353 539575 CC(=O)C1=NN(C(N(N1C)C(=O)C)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl 1 3.146 4 3 0 -4.84350127972543 539520 CC(=O)NC1=CC=C(C=C1)N2C=NN=N2 1 -0.163 5 1 0 -15.766211516874 539513 CC(C)P(=O)(CC1=CC=CC(=C1)C#N)C(C)C 1 3.162 1 1 -3.58247258658537 539510 CC(=O)CSC1=NC2=CC=CC=C2O1 1 2.021 1 2 -4.322946795178 539378 CN(C)C1=NN=NN1C2=CC=C(C=C2)Cl 1 1.465 5 0 0 -3.46240278953373 539263 CC1=CC(=C(C=C1)NC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C 1 1.341 1 9 0 -10.2220401250438 539260 CC(=O)OCC(=O)C1=CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)OC(=O)C)C 1 2.843 0 6 -10.8880709376478 539183 CC(C)C1=CC(=CC(=C1OC(=O)C)C(C)C)N(C2=CC=CC=C2)C(=O)C 1 4.889 1 3 -1.97732309372871 539221 CCCCCOC1=CC=C(C=C1)C2C(=O)NC(=O)N2 1 2.327 2 3 -15.7571732754946 539218 CC1(OCC(CO1)(COC(=O)NC2=CN=CC=C2)[N+](=O)[O-])C 1 9.3e-002 3 6 0 -7.25944556258004 539075 CCOC(=O)C(C(F)(F)F)(NC(C)C)NC(=O)C 1 1.157 2 3 0 -10.828685581635 538891 CC1=CC=C(C=C1)NC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C 1 0.855 1 9 0 -8.24849495223592 538892 CC1=CC=CC=C1NC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C 1 0.855 1 9 0 -10.024391804057 538760 CC(CS(=O)(=O)C1=CC=CC=C1)OC(=O)C 1 1.573 0 4 0 -7.70805465475585 538491 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2 1 0.294 3 3 0 -9.02875493914844 538463 CC(=O)C12C(O1)CC3C2(CCC4C3CCC5=CC(=O)CCC45C)C 1 2.924 0 3 -14.5518081453996 538461 CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C 1 0.347 1 9 0 -27.646790655358 538214 CCCCCCOC1=C(C=C(C=C1)C(=O)O)C#N 1 3.563 1 3 -4.93865897253044 537743 CC(C)C(C)C(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C 1 3.381 4 4 0 -5.58287434912587 537520 CC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)O)C(=O)C)C 1 4.035 1 2 0.192855096446115 537401 CN(C)N=CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] 1 1.352 4 4 0 -3.05367309010246 537208 CC(=O)N1CCN(CC1)C2=C(C(=C(C(=C2F)F)C(F)(F)F)F)F 1 2.973 2 1 -1.91988424840711 536731 CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C)NC(=O)C 1 1.912 4 6 0 -22.0862432342221 536729 CC(C)C(C(=O)O)NC1=C(C=C(C=N1)[N+](=O)[O-])[N+](=O)[O-] 1 1.624 4 6 0 -12.0381317527348 536700 CC(=O)N1CC2(CN(C1)CN(C2)C(=O)C)C(=O)C3=CC=C(C=C3)Br 1 0.747 3 3 0 -5.47296312322918 536655 CC1CC(N(C1=C(C#N)C#N)N(C)C)C#N 1 0.162 5 0 0 -2.4773331720402 536624 CC(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3 1 3.36 1 1 1.30007774123159 536503 CC(C)C1CC(ON1)(C2(CCCCC2)O)O 1 1.667 1 3 0 -0.533367731183356 536471 CCCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C 1 3.773 4 4 0 -25.2863864288594 536451 CC(C)S(=O)(=O)C1=C(SC(=C1)C(=O)OC)S(=O)C 1 1.445 0 5 0 -7.46571929769545 536369 CC(=O)N1C2=CC=CC=C2C(CC1(C)C)(C)C3=CC=CC=C3 1 3.759 1 1 -8.31604575748427 536254 CC(=O)CC(C)(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C 1 0.889 1 4 0 -9.18366553438139 536157 CCCCN1CC(OC1=O)COC2=CC=CC=C2 1 3.031 1 3 -5.29954517668708 536031 CN1C=NC(=C1NC2=CC(=CC=C2)O)[N+](=O)[O-] 1 1.789 4 3 0 0.939825275285062 535994 C1COCCN1C2=NC3=NON=C3N4C2=NN=N4 1 -1.8 8 2 0 -13.8664341273782 535987 C1=CC(=CC(=C1)Cl)OCC(=NO)N 1 1.399 2 2 0 3.67955073958764 535983 CC12CN3CC(C1=NO)(CN(C2)C3)C 1 0.566 3 1 0 -1.62505577512683 535975 CC1=NC(=C(N1)[N+](=O)[O-])SCC(=O)N 1 -6.9e-002 4 3 0 -10.0457947864635 535933 COC1=CC=C(C=C1)C(=O)C23CN4CN(C2)CN(C3)C4 1 1.264 3 2 0 -4.76518688343178 535921 CC1CC(N(C(=O)N1)C)NC(=O)N(C)C 1 -0.379 4 2 0 -5.01924834539679 535908 CN1C=NC(=C1N(C)C)[N+](=O)[O-] 1 0.643 4 2 0 -2.22270620009609 535863 C1CN(CCN1CCC(=O)NC2=CC(=CC=C2)Br)CCO 1 1.371 3 2 0 -0.458898632007891 535852 C1CN2CCC1C(C2)(C3=CC=C(C=C3)N)C4=CC=C(C=C4)N 1 2.241 3 0 4.71401422152934 535815 CCN(CC)C1=C(N=CN1C)[N+](=O)[O-] 1 1.34 4 2 0 -3.47515165145653 535812 C1CCN(C1)C2=NN=C(N=N2)C3=CC=C(C=C3)Cl 1 2.447 5 0 7.0331667143352 535805 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N 1 0.661 2 2 0 -11.9698181938195 535796 COC(=O)N1CN(CN(C1)C(=O)OC)C(=O)OC 1 7.1e-002 3 6 0 -4.64021252351482 535738 CC1(N2CC3(CC(C2)(CN1C3)[N+](=O)[O-])[N+](=O)[O-])C 1 6.6e-002 4 4 0 -2.25825427165352 535726 CN1CCN(CC1)CC(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4CC4 1 2.006 3 3 -1.2559275026582 535721 CN1CCCC2=C1N=C3C(=C2)C(=CC(=O)O3)C(F)(F)F 1 3.422 2 2 -2.36551233484375 535703 CCOC(=O)CSC1=C(NC(=N1)C)[N+](=O)[O-] 1 1.133 3 4 0 -13.213003594651 535662 C1COCCN1C(=O)CSCC(=O)NC2=CC=CC=C2 1 0.384 2 3 0 -13.9544830866949 535647 CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCCCCl 1 2.889 2 5 0 -31.1356576984201 535637 C1CCN(CC1)C(=O)C2=NON=C2N 1 0.186 4 2 0 -11.3240086602871 535590 CC(=O)C1=NN(C(N(N1C)C(=O)C)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl 1 2.93 4 4 0 -6.74504810004566 535511 C1CCN(CC1)C2=NN3C(=NN=N3)C=C2 1 0.152 6 0 0 -6.22788723865539 535431 CC1=CC(=O)N2C(=C1C#N)SC3C2(CCCC3)O 1 1.991 2 2 0 -2.35722721418226 535415 CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)C3CC3 1 2.837 1 3 -4.98054810856047 535383 CC(C)(C)NC1=NC(=NC(=N1)N2CCCCC2)NC(C)(C)C 1 2.503 6 0 -5.64620893760607 535372 CCCCOC(=O)N1C2=C(C=C(C=C2)Cl)OC1=S 1 4.865 1 3 8.31796765058761 535317 CC(C)(C)NC1=NC(=NC(=N1)NC2CCCCC2)Cl 1 3.305 5 0 -8.2616858967989 535305 CC12CN3CC(C1=O)(CN(C2)C3C4=CN=CC=C4)C 1 1.149 3 1 0 -5.4948256990544 535262 CC(C)COC1=CC=C(C=C1)C2C(=O)NC(=O)N2 1 1.734 2 3 0 -18.085210924984 535193 C=CCSC1=NN2C(=O)C3=CC=CC=C3N=C2S1 1 3.894 3 1 -11.920694981913 535113 CCC(CC)(C#CCN1CCCCC1)OCCC#N 1 3.305 2 1 -2.84696728020873 535047 CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CC=C 1 2.003 4 1 -8.36056108845618 534992 CCS(=O)(=O)C(C)(CCl)C(=O)NC1=CC=C(C=C1)C(=O)OC 1 1.732 1 5 0 -9.83084519003688 534843 C1CCC2C(C1)N(C(N2O)C3=C(C(=C(C(=C3F)F)F)F)F)O 1 3.329 2 2 -0.433811397574973 534771 CC1(C2(CNCC1(CNC2)[N+](=O)[O-])[N+](=O)[O-])C 1 -7.3e-002 4 4 0 -6.03220714451099 534612 C1CCC(CC1)NC2=C(C=NC=C2)[N+](=O)[O-] 1 2.24 3 2 -2.98783845950066 534563 C1CCC2=NC3=C(C4=C(S3)C(=O)C(CC4)Br)C(=O)N2CC1 1 3.364 2 2 -13.1771100433591 534510 CCCSC1=C(C2(CCCCC2)C(C(=O)N1)C#N)C#N 1 2.944 3 1 -14.5985437000846 534506 C1CCN(CC1)C2=NC3=NON=C3N=C2N 1 0.28 6 1 0 -10.2655843280398 534458 CCCCCCCSC1=NN=C(S1)N 1 3.338 3 0 -8.44827058930744 534382 CC1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C=C2)OCO3)C(=O)OCC=C 1 1.999 2 5 0 -19.1875122964375 534380 CC1=C(C(C(=C(O1)N)C#N)C2=CC=CO2)C(=O)OCC=C 1 1.416 2 4 0 -19.5778347076496 534358 CC1(C(OC(=O)C(C1=O)(C)C)C2=CC=CC=C2)C 1 3.237 0 3 -3.96107351826228 534348 C1CCCN(CC1)C(=O)CC#N 1 1.012 2 1 0 -9.41156517334984 534346 CC1N(C2CCCCCC2N1O)O 1 1.135 2 2 0 -1.08787212931877e-002 534287 CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C 1 2.621 2 1 -10.4734116705878 534281 C1CCC2=NC3=C(C4=C(S3)C(=CC=C4)O)C(=O)N2CC1 1 2.947 2 2 -4.38963847136909 534279 CC1(CC(=O)C(=CNCCO)C(=O)C1)C 1 -0.371 1 3 0 -11.4632487948305 534265 CC1=CC2=C(C=C1)NC(=O)CCCCC2=O 1 2.138 1 2 -6.86063917614765 534178 CC1=CC(=O)NC(=C1C#N)SCC#C 1 2.377 2 1 -12.1712966496654 534146 CC1=C(C=CC(=C1Cl)S(=O)(=O)NC2=CN=CC=C2)Cl 1 2.982 2 2 -0.86555536163546 534075 CC1=CC(=NN1C2=NNC(=C2[N+](=O)[O-])C)C 1 1.507 5 2 0 -4.45923341635585 534138 C1=CC=C(C=C1)CN2C=C(N=C2)[N+](=O)[O-] 1 1.94 3 2 0 -3.97141661097262 534121 CCN(CC)C(=O)C1=CC=CC=C1C(=O)OCC#C 1 2.989 1 3 -13.9664653939993 534110 CCOC(=O)C1=C(N(N=N1)C2=NON=C2C3=CC=CC=C3)C 1 2.657 5 3 0 -13.6297732855374 534056 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NN=CC3=CC=CO3 1 1.35 3 3 0 -8.70221496283869 533807 CCOC(=O)COC1=C(C2=NSN=C2C=C1)Cl 1 2.661 2 3 -4.92004802834898 533294 C1CCC(C1)C(=O)NC2=CC=CC=C2F 1 2.826 1 1 0.283897171811734 532855 COC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2F 1 2.803 1 2 -6.26737312857524 532843 C1=CC=C(C(=C1)NC(=O)CC2=CC=CS2)F 1 2.808 1 1 -8.74147718377398 532827 CC1=CC(=CC=C1)NC(=O)CCC2=CC=CC=C2 1 3.591 1 1 -5.46032780391154 532822 COC1=CC(=C(C=C1)OC)NC(=O)C2=CN=CC=C2 1 1.431 2 3 0 -8.59880083134078 532821 COC1=CC=C(C=C1)NC(=O)C2=CN=CC=C2 1 1.447 2 2 0 -6.44076640974823 532819 CC1=CC(=CC=C1)NC(=O)C2=CN=CC=C2 1 1.95 2 1 0 -4.23754887379974 532723 C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=CC=CO3 1 3.565 0 3 -1.1685552191738 532685 C1=CC(=CN=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] 1 2.005 2 4 -9.31190643887934 532682 COC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 1 2.094 1 3 -7.77575143186581 532681 CC1=CC(=CC=C1)OC(=O)C2=CN=CC=C2 1 2.597 1 2 -6.39896229727951 532302 C1=CC=C(C=C1)CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] 1 3.191 1 4 -7.33115574584133 532276 COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)OC)OC 1 2.565 1 4 -7.24426684046808 532275 COC1=CC=C(C=C1)C(=O)NCC2CCCO2 1 1.38 1 3 0 -11.8812899175113 532233 C1CC(C1)C(=O)OC2=CC3=CC=CC=C3C=C2 1 3.72 0 2 -1.48441724896122 532201 COC1=CC=C(C=C1)NC(=O)C2=CC=CC3=CC=CC=C32 1 3.506 1 2 -2.26023577718443 532199 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC=C(C=C3)F 1 3.728 1 1 -1.13539254257504 532181 CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 4.128 1 1 -3.11311951742518 532117 CCCCCC(=O)NC1=CC=CC2=CC=CC=C21 1 3.894 1 1 -9.31571049700196 532095 CC(=CC(=O)NC1=CC=C(C=C1)Br)C 1 3.245 1 1 -2.10084447855465 532088 COCC(=O)NC1=CC=CC2=CC=CC=C21 1 1.595 1 2 0 -6.57214027784565 532085 COCC(=O)NC1=C(C=CC(=C1)OC)OC 1 0.654 1 4 0 -8.08833009934405 532084 COCC(=O)NC1=CC=C(C=C1)Br 1 1.435 1 2 0 -5.23045357725398 532080 COCC(=O)NC1=CC=C(C=C1)F 1 0.892 1 2 0 -4.8839154972741 532064 C1CC(OC1)CNC(=O)CCl 1 0.265 1 2 0 -13.0515141996464 532046 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=CC=CC=C2 1 2.975 1 3 -8.29330466506573 532013 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC(=CC=C3)F 1 3.728 1 1 -4.52991137162803 532005 C1CC(OC1)CNC(=O)C2=CC(=CC=C2)F 1 1.602 1 2 0 -10.6437905950778 531994 C1CC(OC1)CNC(=O)C2=CC(=CC=C2)Br 1 2.145 1 2 -11.0264533938444 531991 C1=CC=C(C=C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.543 2 3 -7.56901641395933 531989 COC1=CC=C(C=C1)NC(=O)CC2=CC=CC=C2 1 2.633 1 2 -5.82856866213359 531987 C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)F 1 2.854 1 1 -4.7037254275242 531986 C1CC(OC1)CNC(=O)CC2=CC=CC=C2 1 1.431 1 2 0 -14.017625838259 531960 CC1=CC=CC(=C1)C(=O)NCC2CCCO2 1 1.883 1 2 0 -11.2904728341092 531951 C1COCCN1C(=O)C2=CC=C(C=C2)F 1 1.137 1 2 0 -5.69341544110162 531933 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)F)F 1 3.025 1 1 -5.29408581332815 531931 C1COCCN1C(=O)C2=CC=CC=C2F 1 1.137 1 2 0 -7.30250482341137 531922 C1CC(OC1)CNC(=O)C2=CC=CS2 1 1.35 1 2 0 -12.8421027721995 531921 C1COCCN1C(=O)C2=CC=CS2 1 0.885 1 2 0 -11.7575369371353 531895 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)Br 1 2.758 1 2 -2.77344804673694 531891 C1CCC(C1)C(=O)NC2=CC=CC3=CC=CC=C32 1 3.529 1 1 0.562400563719121 531888 COC1=CC(=C(C=C1)OC)NC(=O)C2CCCC2 1 2.587 1 3 -1.12256210668871 531887 C1CCC(C1)C(=O)NC2=CC=C(C=C2)Br 1 3.369 1 1 1.26616242087551 531886 COC1=CC=C(C=C1)NC(=O)C2CCCC2 1 2.604 1 2 0.48785726624599 531884 CC1=CC(=CC=C1)NC(=O)C2CCCC2 1 3.106 1 1 2.78846902871926 531865 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC 1 3.084 1 2 -7.0926030811904 531848 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3Cl 1 4.187 1 1 -5.34416443742121 531845 COC1=CC=CC(=C1)C(=O)NC2=CC=CC3=CC=CC=C32 1 3.506 1 2 -6.31524264432249 531836 COC1=CC=CC(=C1)C(=O)NCC2CCCO2 1 1.38 1 3 0 -12.4291218677722 531835 COC1=CC=CC(=C1)C(=O)N2CCOCC2 1 0.915 1 3 0 -7.03816888949706 531834 CC1=CC=C(C=C1)C(=O)NC2=CC=CC3=CC=CC=C32 1 4.009 1 1 -4.93067735073797 531829 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC 1 3.084 1 2 -4.45760559955326 531821 COC1=CC(=C(C=C1)OC)NC(=O)C2CCCCC2 1 3.043 1 3 -1.47703062085679 531819 C1CCC(CC1)C(=O)NC2=CC(=CC=C2)Cl 1 3.741 1 1 3.2952242179275 531817 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)F 1 3.282 1 1 1.2582319866873 531807 CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F 1 4.043 1 1 0.431231553989696 531789 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CC2=CC=CS2 1 2.497 2 3 -9.54264577120539 531788 COC1=CC(=C(C=C1)OC)NC(=O)CC2=CC=CS2 1 2.57 1 3 -10.0505422357496 531783 C1=CSC(=C1)CC(=O)NC2=CC=C(C=C2)F 1 2.808 1 1 -6.67735478477027 531782 C1CC(OC1)CNC(=O)CC2=CC=CS2 1 1.385 1 2 0 -15.991255195505 531466 COC(=O)CNC(=O)C1=CC(=CC=C1)F 1 0.95 1 3 0 -10.9544789168714 531457 COC(=O)C(COC(=O)C1=C(C=CC=C1F)F)NC(=O)C2=C(C=CC=C2F)F 1 3.206 1 5 -15.1176293878245 531438 CC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC 1 3.271 1 3 -12.5665283688434 531413 COC(=O)CNC(=O)C1=CC=CC=C1F 1 0.95 1 3 0 -13.7410554720915 531397 COC(=O)CNC(=O)C1=CC=C(C=C1)F 1 0.95 1 3 0 -11.0671350046955 531395 COC(=O)CNC(=O)C1=CC=CS1 1 0.698 1 3 0 -13.1527910939931 531389 COC(=O)C1CCCN1C(=O)C2=CC=CS2 1 1.5 1 3 0 -11.1802415858958 553033 COC1=CC=C(C=C1)N2C(=NN=N2)SCC=C 1 2.4 4 1 -15.782998453703 552778 C1C(CS1)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=C3 1 3.128 2 2 -7.40713917820295 552344 CCN(CC)NC(=O)NC1=CC=CC=C1 1 1.357 3 1 0 -4.24618087075494 528084 CCOC(=O)NC1=C(C=C(C=C1)C)C 1 2.914 1 2 -6.83524536215173 525811 CCOC1=CC=C(C=C1)NC=NC2=CC=C(C=C2)OCC 1 3.373 2 2 3.22848118590871 522990 CC1=NC2=NC=NN2C(=C1)NC3=CC=C(C=C3)OC 1 2.596 5 1 -9.39273266210853 522335 C[NH+](C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Cl-] Cl- 1 3.179 2 0 5.58994154896692 522320 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C 1 3.587 1 1 -4.87095833262667 522191 C1COCCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 2.238 2 3 0.158678668605363 521849 C1=CC=C(C=C1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 3.642 1 1 -5.15741920912766 521506 CC(=O)CSC1=NC=NC2=C1NC=N2 1 0.425 4 1 0 -8.26239659414446 521303 CN(C1=CC=CC=C1)P(=O)(N(C)C2=CC=CC=C2)N(C)C3=CC=CC=C3 1 3.613 3 1 -1.28030623943818 521259 C1=CC2=C(C=C(C=C2)Br)N=C1 1 2.764 1 0 3.38290767831998 521233 C=CC1CN2CCC1CC2C3=C(C4=CC=CC=C4N3)CCO 1 3.269 2 1 0.637970549771306 521212 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2 1 3.224 3 0 -6.89656530037952 521112 CCOC(=O)C(CC1=CC=CC=C1)(CC2=CC=CC=C2)C(=O)C 1 4.137 0 3 -3.61946654630967 520512 CC1=CC=C(C=C1)NP(=O)(NC2=CC=C(C=C2)C)NC3=CC=C(C=C3)C 1 4.454 3 1 0.230411298579481 520428 CC1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C)O 1 4.436 0 2 4.69919361197073 520427 C1COCCN1CCOCCOC2=CC=CC=C2 1 1.509 1 3 0 -2.74361384453225 520243 CC(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)C 1 3.428 0 2 -2.30329332976285 520229 CC1=CC=C(C=C1)S(=O)(=O)N=CN(C)C 1 0.752 2 2 0 -4.62479461603291 520080 C1=CC(=CC=C1S(=O)(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl)Cl 1 3.841 0 4 -2.94599718206811 519849 COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O 1 2.429 1 3 -0.276604735790526 519685 CN(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.144 2 2 -1.90296447763272 519684 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N(C)C 1 2.966 2 2 -3.72496316821954 519663 CC(C(=O)C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 2.602 1 3 -9.09156613281791 519632 C1C2(CN3CC(C2=O)(CN1C3)C4=CC=CC=C4)C5=CC=CC=C5 1 2.563 2 1 -4.10590955597815 519621 COC1=CC2=C(C=C1)NC3=CC=CC=C32 1 3.306 1 1 6.49902495061662 519541 COC1=C(C=CC(=C1)O)C=O 1 1.33 0 3 0 2.40215288551385 519374 C1CC1C(=O)NC2=NC3=CC=CC=C3N2 1 1.765 3 1 0 -1.70287576404431 519314 C1=C2C(=NC(=N1)Cl)N=CN2 1 0.617 4 0 0 -0.541390355437621 519224 C1=CC=C2C(=C1)C=NN(C2=O)C3=CC=C(C=C3)Cl 1 3.3 2 1 1.31272866881214 519183 CCOC(=O)CNC1=NC=NC2=C1NC=N2 1 -0.307 5 2 0 -7.24895966449684 518566 CN1C(=O)CC(=N1)C(F)(F)F 1 0.634 2 1 0 -1.65418701347977 518485 CC(CC1=CNC2=C1C=C(C=C2)Cl)N.Cl Cl- 1 2.592 2 0 3.08263380122715 518105 CCN(CC)C(=S)OC1=C(C=C(C=C1)Cl)Cl 1 5.249 1 1 -2.90034150787184 517999 CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Br Br- 1 0.823 1 4 0 -7.75254352339326 517879 C1=CC(=CC=C1C(=O)N(CCC#N)CCC#N)Cl 1 1.866 3 1 0 -7.7512161196256 517858 CC1=NC2=NC=NN2C(=C1)NC3=CC(=CC=C3)Cl 1 3.276 5 0 -5.97799384894799 517348 C1CCN(C1)C(=S)[S-].[NH4+] NH4+ 1 2.563 1 0 -3.14017961469527 517318 CC1(CC(=O)C2=CC=CC=C2C1=O)S(=O)(=O)[O-].O.[Na+] H2O Na+ 1 -1.282 0 5 0 -6.25144744468115 517282 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC.Cl Cl- 1 2.118 1 4 -5.64229660355143 515130 C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)CCC(=O)O 1 2.604 0 4 -9.02580202170457 513903 C1CCC(CC1)N2C=NC3=C2C=CC(=C3)C(=O)O 1 3.039 2 2 -6.76197365334049 512832 C1CCN(CC1)C2=CC=C(C=C2)N3C(=O)C=CC3=O 1 2.467 2 2 2.19820292424683 511503 CC1CC(C(CN1C)C)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3 1 4.062 1 2 -5.21531907468714 511501 C1CCC(CC1)C2=CC3=C(C=C2)N4CCN=C5C4=C3CCC5 1 5.412 2 0 3.59976928170142 510567 CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C)C)[O-] 1 1.222 2 3 0 -3.23985202394415 510118 COC1=C2C=C(NC2=C(C=C1)OC)C(=O)O 1 2.011 1 4 -0.291713184353228 507300 C1=CC=C(C=C1)CSC2=C(C=CC=N2)[N+](=O)[O-] 1 3.238 2 2 -8.89190007167204 507235 C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=O)CC#N 1 0.489 3 3 0 -10.5199817608966 507230 C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C=NNC(=O)C3=CC=NC=C3 1 1.607 3 3 0 -1.83654094044079 507229 CC1=CC2=C(C=C1)OC=C(C2=O)C=NNC(=O)C3=CC=NC=C3 1 1.429 3 3 0 -3.68202110280351 507228 C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=O)C3=CC=NC=C3 1 0.943 3 3 0 -5.22595837704885 507227 CC1=CC2=C(C=C1)OC=C(C2=O)C=NNC(=O)C3=CC=CC=C3O 1 2.338 2 4 1.01244303796409 506610 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCC4=CN=CC=C4 1 3.05 2 2 -1.16194024064188 506605 C1=CC(=CN=C1)C(=O)NC2=NC=CS2 1 0.461 3 1 0 -7.9118179703258 506600 C1=CC=C2C(=C1)NC(=N2)C3=CC=CS3 1 3.223 2 0 3.25676683457423 506064 CC(=O)NCC1=CC=C(C=C1)C(=O)O 1 0.587 1 3 0 -7.19819167322734 504349 CC1=NC=C(C(=C1O)COC)CCl 1 1.124 1 2 0 -0.800539673222478 503737 C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O 1 0.686 0 9 0 -11.1443661193723 503707 CC(C)(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 1.981 3 3 0 -15.880030779023 501281 C1=CC=NC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.441 2 4 -6.52423155145027 501066 C1=CC=C(C=C1)CSC2=CC=CC=[N+]2[O-] 1 2.499 1 1 -4.20876930613748 500095 CC1=C2C(=O)OC(C2(CCC1)C)C3=COC=C3 1 2.995 0 3 -1.44811120324814 500045 C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.147 1 4 -12.8189304018157 498250 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=CC=N2)O 1 1.719 3 2 0 0.430463490370525 497976 C1=CC=C2C(=C1)C=C(O2)C(=NO)C3=CC=C(C=C3)Cl 1 4.56 1 2 6.17625275435909 497829 CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)O)OC)OCO3 1 3.109 1 4 2.05615831062377 497458 C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)[N+](=O)[O-] 1 3.917 2 3 -5.79044359867626 497456 C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.917 2 3 -3.88984813106675 496073 CC12CCCC(C1CC(CC2)C(=C)C(=O)O)(C)O 1 2.93 0 3 2.92633326940741e-002 496045 CC(C1=CC=CC=C1)NC2=CC(=O)N(C(=O)N2)C 1 1.367 3 2 0 -5.02926497909138 495051 CCOC(=O)C1C2CC3=CC=CC=C3C2C4=CC=CC=C4N1 1 3.622 1 2 -7.62094605656482 494565 CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)O 1 2.427 1 4 -13.5308074272809 493962 C1=CC=C(C=C1)NC(=O)C(C(C(=O)NC2=CC=CC=C2)O)O 1 0.646 2 4 0 -6.43094844318539 493570 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O 1 -0.255 4 6 0 -12.1240213683872 493410 CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2Cl)C 1 2.078 2 3 -29.8477614809314 493405 COC1=CC(=C(C=C1)C=NNC(=O)C2=CC=NC=C2)OC 1 1.5 3 3 0 -5.03473793610054 493265 CC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 4.393 3 2 -3.64464256828061 489420 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)OC 1 3.774 3 3 1.06148940632778 488261 CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CCF)F 1 -1.153 3 3 0 -0.501008155367742 488165 CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)C=O 1 3.089 2 1 8.66690725270553 487927 COC1=C(C=C(C=C1)C=NN=CC2=CC(=C(C=C2)OC)O)O 1 2.978 2 4 3.34908934220052 487737 COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O 1 2.25 2 5 0 -1.15067639291831 487524 CCSC(=NC1=CC=CC=C1)NC2=CC=CC=C2 1 4.337 2 0 0.893445885130784 486631 CC1=CC(=O)N2C3=CC=CC=C3N=C2N1 1 1.561 3 1 0 -7.99435678488832 486277 C1=CC2=C(N=C1)N=C(O2)C3=CC=C(C=C3)N 1 1.579 3 1 0 8.12964680046338 485056 COC1=CC=CC=C1CNC(=O)C2=NC3=CC=CC=C3C=C2 1 3.22 2 2 -12.0292668231268 484487 C1=CSC(=C1)C=NN2C=NN=C2 1 0.998 4 0 0 -1.22911549352866 484483 C1=CC=C(C=C1)C2=CC=C(C=C2)C=NN3C=NN=C3 1 2.563 4 0 3.95178625986867 484481 C1=CC=C2C(=C1)C=CC=C2C=NN3C=NN=C3 1 1.953 4 0 0 3.85928570167603 484122 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2)OC 1 2.415 2 3 -6.6721932777124 484118 COC1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2 1 2.432 2 2 -2.55609105325004 483894 COC1=CC(=C(C=C1)OC)N=C2C(=NSS2)Cl 1 3.382 2 2 7.63572668041897 483860 C1=CC=C(C=C1)N=C2C(=NSS2)Cl 1 3.415 2 0 7.09946227765896 483833 COC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)Cl)O 1 3.02 1 3 -0.558891569831451 483513 CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O 1 1.719 0 6 0 -6.01087052835249 482237 C1CC(=O)N(C1)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.013 2 5 0 -11.2334847786276 482235 C1CC(=O)N(C1)C(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 1.013 2 5 0 -12.8631131332902 482058 C1=CC=C(C=C1)CCNC(=O)NC2=CC=C(C=C2)Cl 1 3.515 2 1 -4.62475804071754 481483 C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=CC=N3)O 1 2.669 2 2 1.84772980022166 480873 CC(=CCC1=C(C=CC2=C1O[C@@H]3[C@H]2COC4=CC(=CC(=C34)OC)O)O)C 1 4.297 0 5 1.53824870619321 480869 CC(=CCC1=C(C=C2C=CC(OC2=C1O)(C)C)[C@@H]3CCC4=C(O3)C=C(C=C4)O)C 1 6.116 0 4 2.23806111300928 480861 CC(=CCOC1=CC(=C(C=C1)[C@H]2CC3=C(C4=C(C=C3)OC(C=C4)(C)C)OC2)O)C 1 5.69 0 4 -6.04773998361723 480860 CC(=CCC1=C(C=C2C(=C1OC)C[C@@H](CO2)C3=C(C=C(C=C3)O)O)OC)C 1 5.035 0 5 0.408114101312263 480856 CC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C=C(C=C4)OC)OC)C 1 4.45 0 4 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CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2O 1 2.858 1 2 -0.23884880782557 478574 C1=CC=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)F)C(=O)C3=N2 1 2.537 2 2 -1.8578878076123 478528 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)NC3=CC=CC=C3 1 2.564 4 3 0 -8.28175850374915 478246 C1=CC(=CC=C1NC(=O)CC(=O)NC2=CC=C(C=C2)F)F 1 2.326 2 2 -2.47722583367881 478049 COC(=O)C1=NC2=CC=CC=C2N=C1 1 1.578 2 2 0 -5.40901635373149 478041 CC1=NC2=NC(=C(C(=C2C=C1)Cl)C)N3CCCCC3 1 4.112 3 0 -2.07085079433354 478040 CC1=NC2=NC(=C(C(=C2C=C1)Cl)C)N3CCOCC3 1 2.883 3 1 -3.65993691704631 477706 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.075 2 3 -8.88410526533479 477705 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)N 1 2.434 2 1 -6.0916996056263 476810 CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(N=CN2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC(C)(C)C 1 4.21 4 6 0 -15.1933672656138 474700 CN1C(=O)C2(C[C@H]2C3=CC=CC=C3)N=C1SC 1 2.422 2 1 -0.201223842859282 473557 C1=CC=NC(=C1)C2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4 1 2.931 6 0 3.1114690193558 473359 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-9.76575527224671 406042 C1=CC=C(C=C1)N2C(=NN=N2)C3=C(ON=C3)C4=CC(=CC(=C4)F)F 1 3.316 5 1 -2.3414540203314 405767 COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC=CS3)OC 1 3.061 1 4 -8.3520256907346 405251 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.[Br-] Br- 1 2.607 4 4 0 -2.4880145728236 405209 CN1C(=O)C(=C(N=C1SC)C2=CC=C(C=C2)Cl)C#N 1 2.912 3 1 1.34922659820931 404537 COC1=CC=C(C=C1)C2=CN3C=CC=NC3=N2 1 2.116 3 1 1.81053400228462 404519 CCOC(=O)CC1=NN=C(S1)NC(=O)C2=NC=NN2 1 -0.1 6 3 0 -16.7250170484543 404503 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2C=NN=C2 1 4.8e-002 5 4 0 -9.07510086753399 404502 CCCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2C=NN=C2 1 1.484 5 4 0 -9.58394210138298 404291 CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C 1 0.736 2 3 0 -4.10241318085966 404112 CCC(=NNC(=O)C1=CN=CC=C1)C2=CC3=C(C=C2)OCCO3 1 1.966 3 3 0 -11.6380624489616 403915 C1=CC=C(C=C1)C2=CC(=NNC2=O)C3=CC=C(C=C3)F 1 3.131 2 1 0.205272913382652 403912 CC1=CC=C(C=C1)C2=NNC(=C2)C3=C(C(=O)N(N=C3C)C)N 1 1.43 5 1 0 2.9846904700633 403850 CC1(CC2=C(CO1)C=C3C(=N2)N=C(N(C3=O)C4=CC=CC=C4)SC)C 1 3.158 3 2 -16.07082986517 403571 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3S2 1 3.429 2 2 1.03057633593913 403569 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 1 1.546 3 2 0 -6.01117511491092 403082 CC1=NC=CN1S(=O)(=O)C2=C(C=C(C=C2)Br)Br 1 2.832 2 2 -1.15554393153061 403074 CC1=NC2=C(C(=N1)OC3=CC=CC=C3)OC4=CC=CC=C42 1 4.038 2 2 6.8649535248056 403058 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=NN4C=NN=C4 1 3.792 5 0 3.1037430943139 403057 C1=CC2=NC(=C(N2C=C1)N=CC3=CC(=CC=C3)O)C4=CC=CO4 1 3.806 3 2 5.96139810571399 403042 CN1C=CN=C1SC2=C(C=C(C=C2)C=NNC(=O)C3=CC=CC=C3O)[N+](=O)[O-] 1 3.089 5 4 0 -2.07967142643058 403034 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)CCN3CCN(CC3)C)C.Cl Cl- 1 2.758 3 3 -1.36767966274018 403027 C1=CC(=C(C=C1Cl)S(=O)(=O)N2C=CN=C2)Cl 1 2.403 2 2 -3.53108878483526 403015 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4 1 3.018 4 3 0 -12.3308665375507 403007 COC(=O)CNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OC3=CC=CC=C3 1 2.694 3 5 0 -18.3110728499238 402993 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CSC3=NC=CC=N3 1 1.587 4 3 0 -10.8591344275502 402989 CN1C=CN=C1SC2=C(C=C(C=C2)C=NNC(=O)C3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-] 1 3.225 6 5 0 -8.5925251816843 402983 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 1.83 4 4 0 -8.41949711508292 402977 C1CN(CCN1C2CC(=O)N(C2=O)CCC3=CC=CC=C3)C4=NC=CC=N4 1 1.095 5 2 0 2.89651282429579 402953 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(SCC3=O)C4=CC(=C(C=C4)O)OC 1 2.073 3 4 0 -16.9930831626714 402949 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(SCC3=O)C4=CC=CC=C4 1 2.332 3 2 -18.9787289156667 401588 C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CS4 1 4.018 2 2 4.4831143813692 401582 CC(=O)NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl 1 3.065 2 2 7.97777338965956 401534 C1=CC=C(C=C1)CC(=O)NN=CC2=CC=CC=C2Cl 1 3.382 2 1 -3.84009283585701 401532 C1CCC(=NNC(=O)NC2=CC=CC=C2Cl)CC1 1 2.981 3 1 -8.61500541479128 401529 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CC3=CC=CC=C3 1 2.486 2 3 -7.10849802634427 401437 CCOC(=O)C(C(F)(F)F)(NC1=NN=C(S1)C)NC(=O)OCC 1 1.54 4 4 0 -15.0275505189655 401019 C1CN(CCN1CC2=CNC3=CC=CC=C32)C4=NC=CC=N4 1 1.948 5 0 0 6.08852516110708 400918 CS(=O)(=O)N1CCN2C1=NC3=CC=CC=C32 1 1.028 3 2 0 -5.51965635476781 400026 C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC5=C(C=CC(=C5)Cl)OC4=O 1 4.357 2 3 -11.6121906062177 400021 C1CCC2=C(C1)C(=C(S2)N=C3C(=CC4=CC=CC=C4O3)C(=O)N)C#N 1 3.747 3 2 -12.4517430380739 399675 CCCN1C(=O)CSC1=NC2=CC=CC=C2 1 2.96 2 1 -6.85324691553186 399618 COC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)OC)N 1 3.195 3 3 -1.95948766829654 399616 COC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=CC=C3)N 1 3.211 3 2 -1.28982286445233 399112 C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NN=C(S4)N 1 2.42 3 2 0.376983295080777 399109 COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NN=C(S3)N 1 1.495 3 3 0 1.2755048849072 399108 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN=C(S3)N 1 1.512 3 2 0 1.0996016296394e-004 399097 CC1=NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4 1 3.143 4 0 -0.290096050732499 399090 C1C2=C(C3=CC=CC=C3O1)NC(=O)C(=C2C4=CC=C(C=C4)Cl)C#N 1 3.104 2 2 -0.661759995812689 398323 C1=CC(=CC=C1C2=CN3C=C(C=CC3=N2)C(F)(F)F)O 1 3.217 2 1 7.05443719460719 398315 CN(C)C(=O)OC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2 1 3.075 3 3 -3.8996731286586 398297 CNC(=O)OC1=CC=CC(=C1)C2=CN3C=C(C=CC3=N2)Cl 1 2.945 3 2 -1.59325484794856 398293 CN(C)C(=O)OC1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)Cl 1 3.151 3 2 -3.09974721639505 398233 COC1=C(C=CC(=C1)C=O)OC2=NN=NN2C3=CC=CC=C3 1 2.561 4 3 0 -11.9810945343548 398165 CCSC1=C(C2(CCCCC2)C3=C(N1)CC(CC3=O)(C)C)C#N 1 3.82 2 1 -19.5119312971199 398148 C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)N 1 2.576 5 2 0 0.816153709398467 397115 C1=CC=C(C=C1)NC2=C(C=C3C=CC(=O)C=C3O2)C(=O)N 1 1.645 2 3 0 -0.995333625285404 397081 C1=CC=NC(=C1)NC(=O)C2=C(OC3=CC(=O)C=CC3=C2)N 1 0.53 3 3 0 -2.37400130238954 397078 COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC4=CC=CC=C4O3 1 3.294 1 4 10.1364595256442 397075 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CC=CC4=N3 1 2.547 2 2 -3.63060226585376 397073 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(O3)C4=CC=CC=C4 1 3.944 3 3 0.859869023590542 396824 CCOC(=O)C1=CSC(=N1)NC(=O)CN2CCN(CC2)C 1 0.543 4 3 0 -7.69918049711668 396823 CCOC(=O)C1=CSC(=N1)NC(=O)CN2CCOCC2 1 0.274 3 4 0 -12.0921617983936 396822 CCOC(=O)C1=CSC(=N1)NC(=O)CN2CCCCC2 1 1.503 3 3 0 -9.6935555874815 396455 CC1=CC(=NN1C(=O)CSC2=NN=C(S2)SCC(=O)N3C(=CC(=N3)C)C)C 1 2.685 6 2 0 -15.8501911978266 396391 COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)CC3=CC=CC=C3 1 3.197 1 4 -12.9450127098695 396186 C1CCC2(CC1)C(C(=O)N3CCSC3=C2C#N)C#N 1 2.096 3 1 -8.8463077323685 396090 C1CN2C(=O)C3=C(N=C2SC1)OC4=CC=CC=C4C3=O 1 2.317 2 3 -11.8682612038016 395987 C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NC5=CC=CC=C5O4 1 4.219 1 3 9.06952493880535 395953 CCCCCCC1=CC2=CC(=C(OC2=CC1=O)N)C(=O)NCC3=CC=CC=C3 1 3.876 2 3 -9.19619924701741 395945 CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)N 1 1.776 3 2 0 -7.58772946681342 395751 CN(C)S(=O)(=O)N1C=CN=C1 1 -0.912 3 2 0 -4.32055196080743 395273 C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)COC3=CC=C(C=C3)Cl 1 4.214 3 3 -10.6377388996907 394845 C1[C@@H]([C@H](OC2=C3C(=CC(=C21)O)O[C@@H]([C@@]34C(=O)C5=C(C=C(C=C5O4)O)O)C6=CC=C(C=C6)O)C7=CC=C(C=C7)O)O 1 4.285 0 10 0 2.26164102739176 394839 CC(=O)C1=CC=C(C=C1)NC2=C3CCCCC3=NC4=CC=CC=C42 1 4.826 2 1 0.847659927605988 394580 C1=CC=C(C(=C1)[N+](=O)[O-])OCCOC2=CC=CC=C2[N+](=O)[O-] 1 3.234 2 6 0 -3.89945695273283 394579 CC(C)(C)C1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2)C(C)(C)C)NC=O)NC=O 1 4.329 2 4 -0.153452976762191 394328 COC(=O)C1=C(C(=NC2=C1CCC2)N)C#N 1 1.27 3 2 0 -9.22171330133413 394278 COC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2 1 3.089 2 2 1.38826974582619 393989 COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2)OC 1 3.272 2 2 -4.64906598535871 393988 C1=CC=C2C(=C1)NC(=N2)COC3=CC=C(C=C3)Cl 1 3.77 2 1 3.76851121675671 393650 C1=CC(=CC=C1NC(=O)NN2C=NN=C2)[N+](=O)[O-] 1 3.5e-002 6 3 0 -6.41882497661566 393335 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CO2)O 1 1.024 2 4 0 -2.43647338470468 393333 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)Br)O 1 2.378 2 3 -1.88175813479586 392982 CCSC1=NC(=S)N(C(=C1C(=O)C)C)C2=CC=CC=C2 1 4.309 2 1 -7.53124977154654 392871 CC(C)(C)OC(=O)N1CCC(CC1)C(=O)O 1 1.256 1 4 0 -8.71934289883626 392799 COC(=O)C1CCC(=S)N1C(=O)C2=CC=CC=C2 1 2.025 1 3 -8.1940724245637 392272 C1=CC=C2C(=C1)N=CN2C3=C(C=CC=N3)[N+](=O)[O-] 1 2.41 4 2 -3.91830120296513 392121 C1=CC=C(C=C1)C(=O)NNCC(COC2=CC=CC=C2)O 1 1.667 2 3 0 -6.54230162532424 391942 CC1=C(C(=O)OC(=C1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.007 1 3 -5.76123217039258 391442 C1COCCN1C(=S)C2=CNC3=CC=CC=C32 1 2.648 2 1 -2.73982409231578 391295 CC1=CC=C(S1)C=NNC(=O)C2=CC=NC=C2 1 1.631 3 1 0 -3.73554796112826 391294 C1=CN=CC=C1C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 1.505 4 3 0 -1.8184359763903 391239 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CS3 1 3.485 1 3 -15.8332866966568 391237 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CS3 1 3.942 1 3 -16.1420968175415 390891 C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)N 1 1.509 1 4 0 -2.82794437335417 390802 CC1=CC(=O)OC2=CC(=C(C(=C12)OC)OC)OC 1 2.296 0 5 -6.27917633628108 390800 CC1=CC(=O)OC2=CC(=CC(=C12)OC(=O)C)OC(=O)C 1 1.881 0 6 0 -7.40400031913498 390799 CC1=CC(=O)OC2=CC(=CC(=C12)OC)OC 1 2.313 0 4 -7.01669180225529 390754 CC1(CC2=C(C(=O)C1)SC3=CC=CC=C3N2)C 1 2.696 1 1 -11.2619159974705 390325 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C(C#N)C#N 1 0.172 5 1 0 -12.4871991774124 390154 C1=CC=C(C(=C1)C(=O)NN2C=NN=C2)C(=O)O 1 -0.137 4 3 0 -8.03281967750668 389793 CN1C2=C(C(=O)C=C(N2)N)C(=O)N(C1=O)C 1 -1.083 4 3 0 -9.30622111483205 389785 C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=C(OC5=CC=CC=C5C4=O)O 1 4.898 1 8 0 -3.52972823483606 389699 C1=CC=C(C=C1)C2=C(OC(=C2C#N)N)C3=CC=CC=C3 1 3.518 2 1 4.4200862249223 389657 CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)Cl)C#N 1 2.706 3 1 -3.86970473259039 389655 CSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N 1 2.041 3 1 -6.16621983949241 389590 C1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2[N+]4=CC=CC=C4 1 4.144 4 2 -5.59489055644182 389549 COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)N 1 2.137 1 2 2.63406938507965 389547 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=C(C=C3)N(C)C 1 2.842 4 1 -7.48541886930529 389506 C1=CC(=CC=C1OC2=CC(=NC(=N2)N)Cl)Cl 1 3.463 3 1 1.42834652312014 389490 C1C(SC2=CC=CC=C2NC1=O)C3=CC=CC=C3 1 3.038 1 1 -4.73401664917983 389386 CC1=NC2=C(O1)C3=CC=CC=C3NC2=O 1 1.181 2 2 0 -4.30027306956232 389316 COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)OC)OC)O 1 2.291 0 8 0 3.88702698894814 389254 COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NCC3=CC=CC=C3 1 2.689 2 3 -8.95678776122917 389249 COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NC3=CC=CC=C3 1 2.682 2 3 -5.06698354786706 389247 C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=N 1 2.6 3 4 0 -12.3768163576089 389225 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)CC#N 1 2.582 2 2 -0.772112767385734 389221 C1=CC=C2C(=C1)C=C(C(=N)O2)C3=NC(=O)C4=CC=CC=C4N3 1 2.578 3 2 -3.1962855817571 389166 CCOC(=O)C(=CNC1=CC=C(C=C1)NC2=NCC(S2)C)C(=O)OCC 1 2.785 3 4 0 -8.88643545155995 389164 CCOC(=O)C(=CNC1=CC=C(C=C1)S(=O)(=O)N)C(=O)OCC 1 0.712 2 6 0 -7.05063832507086 389159 CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C 1 0.991 3 5 0 -15.3803111202937 389146 CCOC(=O)CC1=CSC(=N1)NC(C(=O)OCC)(C(F)(F)F)NC(=O)OCC 1 2.47 3 6 0 -14.212518505561 389131 CCOC(=O)C(C(F)(F)F)(NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3 1 3.447 2 5 0 -11.79694313257 389130 CCOC(=O)C(C(F)(F)F)(NC1=NOC(=C1)C)NC(=O)C2=CC=CC=C2 1 2.616 3 4 0 -18.6215020812138 389129 CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)N2CCOCC2 1 2.319 2 4 -11.0393707483248 389128 CCOC(=O)C(C(F)(F)F)(NCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2 1 3.679 2 3 -11.2095355621727 389118 CC1(CN=C(S1)NC2=CC(=C(C=C2)F)F)C 1 3.224 2 0 -2.90599340044693 389115 CC1(CN=C(S1)NC2=CC(=C(C=C2)F)Cl)C 1 3.683 2 0 -1.84336969787456 388825 CC1=CC=C(S1)C=NNC2=CC=CC=N2 1 2.936 3 0 5.0826925621489 388816 CC1=C(SC=C1)C=NNC2=NC3=CC=CC=C3S2 1 3.876 3 0 4.55377054050592 388688 C1CN2C(=O)C3=CC=CC=C3C2(N1)C4=CC=C(C=C4)F 1 2.386 2 1 -5.81246332816893 388636 C1=CC(=CC=C1N=NC2=CC(=O)NC(=O)N2)Cl 1 2.703 4 2 -1.16896322664135 388615 CC1=CC(=NN1C2=NC(=CS2)C3=CC=CC=C3)C 1 3.428 3 0 0.944086152606954 388608 CC1=C(C=C2C(=N1)N(C(=O)N(C2=O)C)C)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 1.395 6 5 0 -15.0146907846975 388594 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N=NN(C)C)CC3CO3 1 0.542 7 3 0 -14.2972912357066 388580 CN1C2=C(N=C1N=NN(C)C)N(C(=O)N(C2=O)C)C 1 0.825 7 2 0 -6.52336332508111 388579 CC1=NC2=C(N1)C=C(C=C2)N=NN(C)C 1 1.99 5 0 0 2.26426539324846 388017 COC1=CC=C(C=C1)C2=NC(=O)C3=CC=CC=C3N2 1 2.477 2 2 -4.1717296009288 387848 C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N5CCOCC5 1 4.117 4 1 -11.5440003079633 387806 C1CCC23C(C1)C(C(CO2)(C(=N)O3)C#N)(C#N)C#N 1 0.505 4 2 0 -3.43789293976525 387801 CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C)C 1 0.145 4 2 0 -2.89751941853747 387800 CC1C2(OCC(C1(C#N)C#N)(C(=N)O2)C#N)C 1 -0.233 4 2 0 -5.63859067090249 387795 CC(=O)CC1(C(C(=C(O1)N)C#N)(C#N)C#N)C 1 -0.627 4 2 0 -9.08934028821951 408736 C1COCCN1CCCNC(=O)C(Cl)(Cl)Cl 1 0.94 2 2 0 -9.15076714508874 387753 CC1(CC2(C(C1(C(=N)O2)C#N)(C#N)C#N)C)C 1 0.717 4 1 0 -4.14785881386949 387738 C1=CC=C(C=C1)C2=C(C(=C(N2C3=CC=CC=C3)N)C#N)C#N 1 3.651 4 0 -2.24717986369846 387726 C1=CC=C(C=C1)C2C(C(=C(N2C3=CC=CC=C3)N)C#N)(C#N)C#N 1 2.677 5 0 -4.49775267864718 387725 C1=CC=C(C=C1)N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=CO3 1 1.965 5 1 0 -7.97358582759797 408543 C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)O 1 2.578 1 2 -5.62438497406409 387514 CC1=NN2C(=O)C3=C(N=C2SC1)SC4=C3CCCC4 1 3.044 3 1 -17.0233035484881 408365 CN(CCC(=O)C1=CC=CC=C1)CCC(=O)C2=CC=CC=C2 1 3.328 1 2 -0.506935065534454 408317 CCC1C(=O)N=C(S1)N 1 1.107 2 1 0 -6.02812634765261 408190 CCN(CC)CCNC1=C2C=CC(=CC2=NC=C1)Cl 1 3.325 3 0 -2.22217126035998 408156 C1CNC(=NC1)C2=CC=CC=C2 1 1.179 2 0 0 -6.24528737946442 407897 C1=CC=C(C=C1)C2=CC(=NC3=CC=CC=C3N2)C4=CC=CC=C4 1 4.798 2 0 -3.59869095377342 387161 CC1=CC(=O)N=C(N1)N2C(=O)C3=C(N2)CCCC3 1 0.663 4 2 0 -15.1473992978383 387118 CC1=C(C=CC(=C1)N(C)C)N=NC2=CC3=C(C=C2)N=CC=C3 1 5.034 4 0 5.98800137388893 387104 C1=CC=C2C(=C1)C=CC(=N2)N=NC3=CC=C(C=C3)Br 1 5.673 3 0 10.6785077961103 386770 C1C2CN=NC2(CN1)C#N 1 0.171 4 0 0 -4.22625740552459 386761 CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)OC 1 1.759 0 7 0 -12.0674606816713 386705 CCOC(=O)NC1=C(C2=C(S1)CCCC2)C#N 1 2.991 2 2 -17.5536221214695 407339 CN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.843 1 2 -5.65030172887851 386481 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NC3=CC=CC=C3)C 1 2.084 1 3 7.39509052688243 407084 COC1=CC=CC=C1C=NN=C(N)N[N+](=O)[O-] 1 3.054 5 3 0 -4.43845403534746e-002 406679 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5O4 1 3.889 2 3 4.92155934946428 386112 C1CCN(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.599 2 3 0 -6.57692528998043 406670 C1CC(=O)N(C1=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3 1 2.999 2 2 1.1489447448804 406463 CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)C(=O)C 1 1.147 2 3 0 -2.84635685988924 385872 CN1C(=O)C=C(NC1=O)NCCC2=CC=CC=C2 1 1.311 3 2 0 -4.07985917865833 385805 CCOC(=O)CC1=NN2C(=O)C=C(N=C2S1)C 1 1.398 3 3 0 -15.1154686967647 385496 CCOP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)F)OCC 1 3.638 1 3 -7.75324619247215 385493 CCOP(=O)(C(C1=CC=CC=C1)NC2=CC(=CC=C2)[N+](=O)[O-])OCC 1 3.327 2 5 0 -10.7754321790895 385403 COC(=O)[C@@H]1C[C@]2([C@@H](N1C(=O)OC)N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)Br 1 2.936 2 6 0 -10.5838530634913 384978 CN1C2=CC=CC=C2C(=O)C(=C1O)C3=CC=CC=C3 1 3.484 1 2 3.45083409353129 384977 C1=CC=C(C=C1)CC2=C(NC3=CC=CC=C3C2=O)O 1 3.587 1 2 -3.91170788925704 384975 CCCC1=C(NC2=CC=CC=C2C1=O)O 1 3.011 1 2 -2.64036003477908 384942 C1C(=NN2C(=O)C3=C(N=C2S1)SC(=C3)C4=CC=CC=C4)C5=CC=CC=C5 1 5.144 3 1 -8.64167801286392 384908 CCOC(=O)C1=C(N=C(S1)SC)N 1 1.657 2 2 0 -7.3884440657936 384618 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C(F)(F)F 1 2.66 2 1 -8.53229751336488 384468 CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.414 3 0 3.03638351292252 384431 CC1=C(SC2=C1C(=O)OC(=N2)C)C 1 1.894 1 2 0 -6.06168599899999 384428 CC1=NC2=C(C3=C(S2)CCCC3)C(=O)O1 1 2.646 1 2 -11.7308456558588 384025 CC(=O)OC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OC(=O)C)OC2=O 1 2.913 0 6 -1.14315724275279 384024 CC(=O)OC1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O 1 3.146 0 4 1.18851923582149 383913 CCOP(=O)(C(=CC1=CC=C(O1)C2=C(C=C(C=C2)F)F)C#N)OCC 1 3.436 1 4 -2.18797073640446 383824 CC(C)NC(=NC(C)C)OC 1 1.73 2 1 0 -7.69124694402385 383681 CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)F)NC(=O)C 1 2.491 2 3 -9.27681172705141 383676 CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=CC=C1OC 1 2.936 2 4 -11.7840630970077 383674 CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NOC(=C1)C 1 1.619 3 4 0 -17.4658722128603 383671 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F 1 4.692 4 4 0 -23.0809382314502 383643 CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)C1=CC=CC=C1)P(=O)(OCC(C)C)OCC(C)C 1 3.893 1 7 0 -12.153202781968 383599 CC1CN=C(S1)NC2=CC(=C(C=C2)F)Cl 1 3.478 2 0 -3.99051002132172 383596 CC1CN=C(S1)NCC2=CC=CC=C2 1 2.615 2 0 -7.10747040953772 383595 CC1CN=C(S1)NC2=CC=CC=C2 1 2.608 2 0 -6.43836830267798 383573 CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NC=CC=N1 1 2.286 4 2 -10.1047147451716 383505 C1=CC=C2C(=C1)NC(=N2)SCC3=C(C(=C(C(=C3F)F)F)F)F 1 5.04 2 0 -1.84240135386021 383291 CCOC(=O)C1=CC=C(C=C1)N=C2C(=S)N(C(=N)N2N=CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OCC 1 5.751 5 4 0 -3.79193863133437 383280 CN(C)C1=CC=C(C=C1)N2C(=NC3=CC=C(C=C3)OC)C(=NC4=CC=C(C=C4)OC)N(C2=S)C5=CC=C(C=C5)OC 1 7.169 5 3 0 -0.149676009117005 383259 CC1=CC=C(C=C1)S(=O)(=O)NN=C2N(C3=CC=CC=C3S2)C 1 3.387 3 2 -4.11834246032934 383092 CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl 1 8.244 2 4 -4.87056600251592 382950 C1COCCN1CC2=C(C3=CC=CC=C3C=C2)O 1 2.257 1 2 4.19066507241791 382634 C1CC2=CC3=C(CC4(C3)CC5=C(C4)C=C6C(=C5)CCCC6=O)C=C2C(=O)C1 1 5.534 0 2 -2.96335466672715 382421 CC1=NN=C2CCC3=[N+](ON=C3C2=C1)[O-] 1 -1.83 4 2 0 -1.64461757225614 382420 CC1=NOC2(C1)C(=NO)CCCC2=NO 1 5.2e-002 3 3 0 2.0028775567826 382416 CC(=NO)CC(C=NO)(C1=CC=CC=C1)O 1 0.792 2 3 0 0.769123703436735 382389 C1=CC(=CC=C1C(=O)CSC2=NC(=O)C3=CNNC3=N2)Cl 1 1.721 4 2 0 -4.35086814985592 382090 C1=CC=C(C(=C1)N2N=C3C=CC4=NON=C4C3=N2)O 1 2.5 5 2 0 1.47927661324878 381837 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=C(C=C2)Cl 1 2.633 3 3 -5.18961810555249 381816 CCOC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 1 2.756 2 5 0 -17.2217881444729 381094 CN(C)C1=CC=CC(=C1)C=C(C#N)C2=CC=CC=C2 1 3.817 2 0 -7.89440745528449 380675 C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3 1 3.002 6 0 -6.93131291563998 380674 C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=CC=CC=C4S3 1 4.289 3 0 -3.66976573927568 380631 C1C(CSC2=NC3=CC=CC=C3N21)O 1 1.942 2 1 0 -1.25699838776818 380629 C1=CC=C2C(=C1)N=C3C(=N2)SC4=NC5=CC=CC=C5N34 1 3.554 4 0 -1.73707093843867 380606 CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4C5=CC(=CC=C5)OC)C#N 1 5.054 4 1 -9.06117766975108 380532 C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CS3 1 2.855 1 1 -13.7175021411592 380438 C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-] 1 3.734 4 5 0 -3.18102458195521 380199 CN(C)C=NC1=NC2=C(S1)C=C(C=C2)OC 1 1.947 3 1 0 5.47463618241715 380185 C1CN(CCN1CCC(=O)C2=CC=CC=C2)CCC(=O)C3=CC=CC=C3 1 3.285 2 2 0.899360076697232 379950 CC1C2=C(CC(CC2=O)(C)C)NC3=C1C(=O)CC(C3)(C)C 1 2.231 1 2 -15.8764784664954 379927 CC1(C2CCC1(C(C2)NC(=O)CCOCCOCCOC)C)C 1 1.43 1 4 0 -8.51993969411113 379922 C1CCN(CC1)C(=O)C2=NSC(=C2Cl)Cl 1 2.725 2 1 -5.3783363873293 379915 C1CNC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N1 1 1.218 3 2 0 -2.79119117679345 379892 C1CCN(CC1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2CCCCC2 1 4.306 3 2 2.89843907208785 379871 C1CN(CCC12NC(=O)C3=CC=CC=C3O2)CC4=CC=CC=C4 1 3.07 2 2 2.01900447456878 379839 CN1CCN(CC1)C2=NCCO2 1 0.259 3 1 0 0.686971033391154 379772 CC1=C(C(=O)N=C(N1C2=CC=C(C=C2)C(=O)OC)C)C3=CC=CC=C3 1 2.883 2 3 -6.69790150890844 379752 CC1=C(C(=O)N(N1)C2=NC(=O)C=C(N2)C3=CC=CC=C3)CCO 1 0.52 4 3 0 -7.2988631751048 379422 C1CC2=C(C(=C1N=O)N=NC3=CC=CC=C3)NON2O 1 6.7e-002 5 3 0 -0.98549683593904 379416 CN(C)C=NC1=C(C=C(C2=NON=C12)Br)Br 1 2.404 4 1 1.97572309781084 379409 C1CC2=NON=C2C(=O)NC1 1 -0.191 3 2 0 -8.37249514246832 379405 C1CC2=NON=C2C(=NN)C1 1 0.154 4 1 0 -3.85602958919482 379403 C1CCC2(CC1)N(C3=C([N+]2=O)C=CC(=C3)[N+](=O)[O-])[O-] 1 2.244 3 4 0 -0.735052710610955 379402 C1=CC=C(C=C1)N2N=C(C(=N2)C(=O)O)C3=NN(N=C3C(=O)O)C4=CC=CC=C4 1 3.475 6 4 0 -2.20877103944944 379371 CC1=[N+](C(N(C1(C)C)O)(C)C)[O-] 1 -0.648 2 2 0 -0.480871625589154 379338 COC1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=O)C3=C2 1 3.663 2 2 3.19493479251627 379337 C1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=O)C3=C2 1 3.68 2 1 2.96497158833281 379219 CCOC(=O)N1CCN(CC1)C(=O)NC2=CC=CC3=CC=CC=C32 1 2.269 3 3 -6.43421564778591 379086 C1CN(C2=CC=CC=C21)CCN3CCC4=CC=CC=C43 1 3.952 2 0 -8.9561710303302 378671 CC(C)(C(=NO)C1=CC=CC=C1)NO 1 1.638 2 2 0 0.61846959128172 378581 CC1=CC2=C(C=C1)N(C3=C2C=CC4=C3C(=O)C=CC4=O)C 1 3.943 1 2 4.86715190990776 378526 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3 1 1.148 5 2 0 -8.76574669027819 378309 CC(=O)NC1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)OC 1 2.065 2 3 -6.2821735270223 378297 C1CC(=O)N(C1=O)C2=C(C=C(C=C2)Cl)N 1 0.907 2 2 0 -3.20169401654406 378296 C1CC(=O)N(C(=O)C1)C2=C(C=C(C=C2)[N+](=O)[O-])N 1 0.594 3 4 0 -6.39032545304386 378292 CCOC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2 1 4.034 0 2 0.154059644435605 378258 CCOP(=O)(C(=CC1=CNC2=CC=CC=C21)C#N)OCC 1 2.113 2 3 -2.77898723341257 378227 COC1=CC2=C(C=C1)NC3=C2CCN4C3=NC5=CC=CC=C5C4=O 1 3.342 3 2 -3.31006242322463 377886 C1=CC(=C(C=C1C2=CSC(=N2)NC=C(C(=O)N)C(=O)N)Cl)Cl.Cl Cl- 1 1.404 4 2 0 4.56336497733363 377838 C1=CC(=CC(=C1)O)C=C2C(=O)NC(=O)N2 1 0.494 2 3 0 -6.4129086523967 377825 C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)N2 1 0.631 3 4 0 -10.9974600672569 377067 CC1=C(SC(=N1)NC2=C(C=C(C=C2)Cl)Cl)C(=O)NC3=CC=CC=C3 1 4.427 3 1 -1.49774802722248 376579 C1=CC=C2C(=C1)C(=O)N=C(N2)CC#N 1 0.888 3 1 0 -6.188749793247 376484 CN1C(=O)C2=CC=CC=C2N=C1NN 1 0.333 4 1 0 -4.18627669291401 376428 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.427 4 4 0 -8.22653733287085 376427 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.763 4 4 0 -12.4268267300493 376421 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.763 4 4 0 -14.2673895326042 376415 C1=CC=C(C=C1)CC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4 1 3.567 3 2 -6.46393257048294 376414 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CC3=CC=CC=C3 1 1.903 3 2 0 -10.5396035026256 376355 C1=CC2=C3C(=C1)NC(=NC3=CC=C2)C4=CC=CO4 1 2.925 2 1 -3.87666456058156 376354 C1=CC=C(C=C1)C2=NC3=CC=CC4=C3C(=CC=C4)N2 1 3.53 2 0 -4.80273870215638 376353 C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Cl 1 3.829 3 2 7.64570850329512 376349 CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 3.651 3 2 5.8237098127083 376328 CC1=C2C3=CC=CC=C3NC2=C(C4=C1CN(C=C4)C(=O)C)C 1 3.317 2 1 -0.794104033723075 376112 COC(=O)C1=C2C=C(C=CN2C(=C1C(=O)OC)Cl)C(=O)C3=CC=CC=C3 1 3.514 1 5 -5.90151405256202 376106 C1=CC=C2C(=C1)C=CC3=C2C=CC4(O3)NC(=O)C5=CC=CC=C5O4 1 4.538 1 3 -0.86453812996185 376003 CC1=CCC(CC1=NO)C(C)(C)NC(=O)C2=CC=CC=C2 1 2.877 2 2 -8.41562577545852 376002 CC1=CCC(CC1=NO)C(C)(C)NC(=O)C 1 1.212 2 2 0 -7.32140611866742 375912 C1=CC=C(C=C1)C2=CC(=O)NC3=CC=CC=C32 1 2.731 1 1 -2.80879195953761 375895 COC1=C2C(=C(C=C1)OC)C(=O)C(=C(C2=O)Cl)Cl 1 2.462 0 4 1.0388801234569 375797 CCOP(=O)(C(=CC1=COC=C1)C#N)OCC 1 0.924 1 4 0 -8.4849971511816 375795 CCOP(=O)(C(=CC1=C(C=CC(=C1)OC)OC)C#N)OCC 1 1.787 1 5 0 -6.42239258202206 375293 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3)C 1 3.856 3 2 -21.709282032928 375285 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 3.37 3 2 -18.9469409359489 375284 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 3.37 3 2 -17.1566896091446 375283 CC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 3.37 3 2 -21.6800467089536 375280 C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3 1 2.883 3 2 -19.3966265363705 375151 CC1=C2C(=C3C(=C1)C4=C(N3)C=C(C=C4)O)C=CC(O2)(C)CCC=C(C)C 1 6.248 1 2 5.37219532903576 375148 CC1=C(C=C2C(=C1)C3=C(N2)C4=C(C=C3)OC(C=C4)(C)CCC=C(C)C)O 1 6.248 1 2 5.82188111424418 374931 C1C2=CC=CC=C2N=CC3=CN=NN31 1 1.653 4 0 0 -2.29405065024159 374829 C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3S2 1 2.903 1 1 -3.11624190915339 374760 COC1=C(C=C2C(NCCC2=C1)C3(CCCCC3)O)OC 1 2.613 1 3 -9.00215404972671 374543 COC1=CC(=C(C(=C1)OC)C2=NOC(=C2C(=O)OC)C(=O)OC)OC 1 2.184 1 8 0 -8.38010437870002 374365 COC1=CC=C(C=C1)C=NN2C=NC3=C(C2=O)SC(=S)N3C4=CC=CC=C4 1 4.764 4 2 -3.20638998755557 374056 C1=CC=C(C(=C1)NC2=NC=C(S2)C(=O)C3=CC=C(C=C3)Cl)Cl 1 4.764 2 1 2.3257096384602 373871 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)COC3=CC=CC=C3 1 3.301 3 3 -14.3535687392881 373719 CC1=CC=C(C=C1)S(=O)(=O)N2CCCSCC2 1 1.927 1 2 0 -14.4766114949543 373718 CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.566 2 4 -14.8164229530559 373692 C1=CC=C(C=C1)N2C3=C(C(=NC=N3)Cl)SC2=S 1 4.851 3 0 -0.880102532486122 373688 C=CCN1C2=C(C(=O)N=CN2)SC1=S 1 1.874 3 1 0 -10.1518186423821 373687 C1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)SC2=S 1 2.929 3 1 -4.99264732265021 373492 CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCO 1 1.657 3 2 0 -5.43225790764413 373201 CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2CCC3=C2C=CC(=C3)[N+](=O)[O-] 1 1.453 2 9 0 -13.6843813480267 373130 CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2CCC3=CC=CC=C32 1 1.559 1 7 0 -12.1254332462226 373127 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCOCC3=CNC(=O)NC3=O 1 -0.505 3 5 0 -11.2677869704721 372837 C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC(=NC(=N2)Cl)Cl 1 2.985 5 2 0 -2.16892167808311 372639 COC(=O)C1=CC=C(O1)CC2=CC=C(O2)C(=O)OC 1 2.467 0 6 -4.59027310597145 372491 COC1=CC=C(C=C1)C(=NNC(=O)N)CC2C3=CC=CC=C3C(=O)O2 1 2.174 3 4 0 -10.1925763702264 372265 COC1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)OC 1 2.928 1 3 -2.09917280240243 372186 CC1=CC2=NC3=C(C(=CC=C3)OC)N=C2C=C1C 1 4.015 2 1 1.08582692787626 372101 CCOC(=O)C(=O)C1C2=CC=CC=C2NC1=O 1 0.876 1 4 0 -7.96120848070609 372051 C1=CC2=C(C(=C1)OCC3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2 1 3.477 2 3 -6.09887808677411 371946 C1=CC=C2C(=C1)C(=NNC2=O)CNC3=C(C=C(C=C3)Cl)Cl 1 3.487 3 1 -6.99108475814391 371687 C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=N2)[N+](=O)[O-] 1 2.215 2 4 -10.4437799106685 371593 C1=CN(N=C1)C2=CC(=C(C=C2O)N3C=CC=N3)O 1 1.799 4 2 0 2.69982757308747 371501 C1CC2C(NC3=CC=CC=C3C2OC1)C4=CC=CC=C4 1 3.458 1 1 -2.2476045562174 371271 CC1=C2C3=C(C4=C(C=C3)C(=O)C=CC4=O)N(C2=CC=C1)C 1 3.943 1 2 1.37122433237075 371204 COC1=C(C2=C(CC3C4=CC(=C(C=C4CC[N+]3(C2)[O-])OC)OC)C=C1)OC 1 2.792 1 5 -8.81909249448911 371087 C1CNC(=NC1)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl 1 4.505 5 0 -5.16198848158259 371056 C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3)Cl 1 3.625 1 1 1.20743062970055 370318 COC1=CC(=CC(=C1OC)OC)C=C2C(=O)NC(=O)NC2=O 1 0.815 2 6 0 -10.1619159039485 370316 COC1=C(C=C(C=C1)C=C2CC3=CC=CC=C3C2=O)OC 1 3.774 0 3 -2.11609755439412 370315 CC(C)(C)C(=O)C=CC1=CC(=C(C=C1)OC)OC 1 3.541 0 3 -7.04052275739514 370314 CC1(OC(=O)C(=CC2=CC(=C(C=C2)OC)OC)C(=O)O1)C 1 1.853 0 6 0 -7.58232749581859 370295 C1=CC=C(C=C1)C(=O)C(=CC2=CC=CN2)C#N 1 2.926 2 1 -7.02229263050993 370255 CC(C)(C)C(=O)C=CC1=CC=C(C=C1)OC2=CC=CC=C2 1 5.134 0 2 -1.02160146128325 370028 CCN1CCC(C(C1)C(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O 1 2.894 1 2 4.55276066071175 369617 COC1=C(C=C(C=C1)C(=O)C(CO)OC2=CC=CC=C2OC)OC 1 2.616 0 6 -7.30725859367389 369539 CN1C2=C(C=C(C=C2)OC)C3=C1C4=C(C=C3)C(=O)C=CC4=O 1 3.44 1 3 3.79468129192863 369538 COC1=CC2=C(C=C1)NC3=C2C=CC4=C3C(=O)C=CC4=O 1 3.234 1 3 4.68482598719866 369519 CC(C)(C)C1C=C(C(=O)O1)SC2=CC=CC=C2 1 3.705 0 2 -0.924930590103551 369507 COC1=CC=C(C=C1)C2=CN3C=CSC3=N2 1 2.232 2 1 1.97766332770479 368866 CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC=CO3 1 2.623 2 2 -2.01622255479822 368865 C1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC=CO3 1 2.137 2 2 -2.5881331976382 368861 C1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC=CC=C3 1 2.742 2 1 -5.22463257053179 368752 COC(=O)C1CC(=NO1)C2=CC=C(C=C2)Cl 1 2.117 1 3 -2.61422148199095 368575 CN(C)C1=CC=C(C=C1)C=NN2C(=O)C3=CC=CC=C3C2=O 1 2.669 3 2 -4.30333601533642 368305 COC1=CC2=C(C=C1)C3(C(=O)C4=CC=CC=C4C3(N2)O)O 1 1.582 1 4 0 -3.01237494544142 367935 COC1=CC=CC=C1C=C(C#N)C(=O)O 1 1.75 1 3 0 -8.55645759640099 367927 COC1=CC=C(C=C1)C2=CC(=O)CCC2 1 2.753 0 2 -3.35563336624037 367901 C1=C(C=C(C(=C1O)O)O)C=C(C#N)C(=O)N 1 0.413 2 4 0 -3.45126651761707 367783 C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.542 2 4 0 -3.86102417459776 367663 CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)O1 1 3.052 2 2 -19.9864232707327 367544 C1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)C#N)C#N 1 3.42 2 1 -9.61256021534598 367539 C1=CC=C(C=C1)C(=O)C(=CC2=CC(=CC=C2)Cl)C#N 1 4.205 1 1 -5.57544433868842 367528 CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)C2=CC=CC=C2 1 3.703 2 1 -11.1146802655914 367523 CCOP(=O)(C(=CC1=CC=C(C=C1)[N+](=O)[O-])C#N)OCC 1 1.714 2 5 0 -7.62821263294224 367515 CCOP(=O)(C(=CC1=CC=C(C=C1)Br)C#N)OCC 1 2.568 1 3 -5.16847590009963 367508 CCOC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C#N 1 2.235 2 4 -10.0523066997455 367494 CCOC(=O)C(=CC1=CC(=CC=C1)C)C#N 1 2.827 1 2 -6.18927653779279 367471 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CC=CC=C2 1 2.912 2 3 -8.85356122243248 367432 CCOC(=O)C(=CC1=CC=C(C=C1)Br)C(=O)OCC 1 3.414 0 4 1.49800522792988 367215 COC1=CC=CC(=C1)C=C2CCC3=CC=CC=C3C2=O 1 4.246 0 2 2.38918253920471 367214 COC1=CC=CC=C1C=C2CC3=CC=CC=C3C2=O 1 3.79 0 2 1.68579664868401 367137 CC1C(NC(C(C1=O)C)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC 1 3.665 1 3 -1.3514273679276 366976 CC1=C(C=C(C=C1)NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)OC)C 1 3.367 1 4 -1.20903214467074 366855 C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 2.092 3 4 0 -13.1500966458052 366798 CCOC(=O)C(=O)NC12CC3CC(C1)CC(C3)C2 1 1.866 1 3 0 -5.45401784499231 366464 CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)C 1 0.719 2 4 0 -3.73184949879043 366233 C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2N 1 3.08 2 0 -2.44649134775141 366109 CC1=C(C=CC=C1Cl)NC(=O)CC2C(=O)NC3=CC=CC=C3S2 1 3.348 2 2 -9.09473780509954 366010 C1=CC(=NC(=C1)Cl)C(C#N)C2=CC=C(C=C2)Cl 1 4.054 2 0 2.02160758858195 365388 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.721 2 6 0 -9.13733012035259 365383 CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2 1 3.068 1 1 -5.04816489466558 365208 CC1(CC(CC(N1)(C)C)NC2=CC=C(C=C2)NC3=CC=CC=C3)C 1 3.928 3 0 -6.48757863166006 365206 CC1=CC(=NN1C2=C3C=CC(=CC3=NC=C2)Cl)C 1 3.335 3 0 -1.25847629023414 365016 CCCCCCCCCCCC(=O)C1=C(C=CC=C1O)O 1 5.858 0 3 -1.84288228305267 364824 C1=CC=C(C=C1)C2C3=C(C4=C(C=CC=N4)C=C3)OC(=C2C#N)N 1 3.048 3 1 -5.44465089046457 364666 CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)O)O 1 -0.765 0 9 0 -11.8711060820286 364626 CN1C=NC(=C1SC2=NN=C(N2C)C3=CN=CC=C3)[N+](=O)[O-] 1 1.485 7 2 0 -4.77811797678666 364601 CN1C=NC(=C1SC2=NC3=CC=CC=C3N2)[N+](=O)[O-] 1 2.656 5 2 0 -1.05549355743923 364494 C1COCCN1C2=NN(C=C2C3=CC=CC=N3)C(=O)NC4=CC=CC=C4 1 2.401 5 2 0 -1.45193094921426 364404 CCOC(=O)N1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1 1 4.159 1 3 -1.8093331912977 364225 C1=CSC2=C1C3=CSC=C3N=C2 1 2.54 1 0 2.42477603499926 364166 C1C(=NN2C(=NN=C2S1)COC3=CC=CC=C3)C4=CC=CC=C4 1 3.555 4 1 -5.89236244264768 363890 C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.833 1 4 -8.87016973787941 363815 CC1(CC2=C(C(=O)C1)C3=CC(=C(C=C3O2)O)O)C 1 2.498 0 4 -8.77565717528638 363670 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OC(C)C(=O)O 1 3.813 0 5 -4.76690523741615 363669 CC(C(=O)O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3 1 3.327 0 5 -7.13278484482177 363417 CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-] Cl- 1 5.16 1 4 -13.5126827721927 363396 C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC=CC=C4Cl)C#N 1 4.914 2 1 -1.02934542577454 363326 C1C(C(=O)NC1=O)C2=CNC3=CC=CC=C32 1 0.995 2 2 0 -6.94860897942877 363322 C1C(C(=O)N(C1=O)C2=CC=CC=C2)C3=CNC4=CC=CC=C43 1 2.778 2 2 -2.27568028157548 362861 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC3=CC=CC=C3C2=O 1 2.678 1 4 -8.15178225676839 362748 CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC 1 0.69 1 5 0 -13.4524281610651 362745 CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)F 1 0.634 1 4 0 -7.55638403989064 362742 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCC(=O)O 1 1.7 1 4 0 -12.3452643855428 362741 C1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)O 1 0.792 1 4 0 -14.2042691881522 362740 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)O 1 1.379 1 4 0 -8.85001378181135 362726 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2 1 1.988 1 5 0 -11.6363508177734 362128 CN1CC(=O)N(C2=C(C1=O)N(C=N2)CC3=CC=CC=C3)C 1 0.763 4 2 0 -11.0542914902373 361939 CCCCCCCCCCCCC(=O)CCCCC(=O)O 1 5.882 0 3 -7.98128779023674 361688 CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCNCCO 1 -1.798 4 6 0 -8.52333791450317 361630 C1C(=O)C(=C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.264 0 2 -2.89345401102878 361510 C1=C(C=C2C(=C1O)C(=O)C3=C(C=C(C=C3C2=O)O)O)C(=O)O 1 1.712 0 7 0 1.31501321301526 360924 CCOC(=O)C(C)C1=C(C2=CC=CC=C2N1C)C(=O)C3=CN=C(C=C3)C 1 3.858 2 3 -7.99075640235881 360857 C1=CC=C(C=C1)C2=CSC3=C2C4=NN=CN4C=N3 1 2.576 4 0 -1.29363144294092 360769 CN1CCN(CC1)C2=NC(=C(C(=N2)Cl)Br)N 1 1.486 5 0 0 5.26907149538018 360693 CCOC(=O)C1=C(SCC1=O)NC2=CC=CC=C2 1 2.442 1 3 -7.39249535998295 360560 CN(C)C1=NC(=NC2=CC(=CC=C2)Cl)SS1.Br Br- 1 4.324 3 0 4.37565782339326 360474 CN(C)C1=NC(=NCC2=CC=CO2)SS1.Br Br- 1 2.848 3 1 -3.45600459354328 360404 C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4O)O)O)S(=O)(=O)O 1 1.982 0 8 0 -5.76525884300146 360322 C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C=C3 1 3.731 1 2 4.93653544818298 360308 CCOC(=O)C1=C(NC2=CC=CC=C2S1)C 1 2.349 1 2 -7.97185516323133 360219 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.23 1 4 -8.21776015745206 360218 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC=C(C=C3)C 1 4.052 1 4 -10.0397588480389 360150 CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2 1 2.366 2 2 -7.32578117843904 359743 C1=CC=C(C(=C1)C(=O)CC2(C3=CC=CC=C3NC2=O)O)O 1 1.392 1 4 0 -6.88041866724618 359482 CN(C)CC1CCCCC1=O.Cl Cl- 1 1.364 1 1 0 -3.34761928068945 359385 COC1=CC=C(C=C1)C(=O)NCCC2=CCCCC2 1 3.349 1 2 -10.1057983883032 359327 CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)O 1 2.457 1 3 -7.18996074218372 358849 COC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC=C(C=C2)Cl 1 3.059 1 4 0.860881360556192 357770 C1=CC=C(C=C1)OCC(=O)NS(=O)(=O)C2=CC=CC=C2 1 2.024 1 4 -8.70683438872048 357759 C1CCC(=O)C(C1)S(=O)(=O)C2=CC=CC=C2 1 2.241 0 3 -7.70765593523015 357403 CCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC=C2F)F 1 0.972 2 4 0 -26.4734581385914 357246 C1=CC(=CC=C1C=NNC(=O)C2=CC=NC=C2)C(F)(F)F 1 2.475 3 1 -1.93845920525258 356899 C1=CC(=CC=C1C2=NN=C(O2)N)Cl 1 1.588 3 1 0 4.45064661395122 356898 CC1=CC=C(C=C1)C2=NN=C(O2)N 1 1.41 3 1 0 2.6286479233644 356814 CC12CCC(C1(C)CBr)CC2=NO 1 2.401 1 1 3.51535559085462 356768 COC1=C(C(=C2C(=C1)C=CC3=CC(=C(C=C32)OC)O)O)OC 1 3.113 0 5 3.22976336941103 356382 C1=CC=C(C=C1)C(C#N)C2=NC=CN=C2 1 1.365 3 0 0 -1.4562543223329 356348 CC1(CC(CC(N1)(C)C)NC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)C 1 3.073 2 2 -10.0658946100317 356320 C1COCCN1CCNC(=O)C2=CC3=CC=CC=C3OC2=O 1 0.894 2 4 0 -15.8604164028362 356316 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3OC2=O 1 3.192 0 4 -7.00442912578338 356301 C1=CC=C(C=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-] 1 2.844 4 3 0 0.65245897598665 356261 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)NC(=O)C)C(=O)OC 1 0.992 2 5 0 -21.421217159987 356076 CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)C 1 3.564 2 3 -8.21704758318214 355876 CC1=C(C2=NC3=CC=CC=C3N2C(=C1)Cl)C#N 1 3.574 3 0 -6.51155072434691 355481 C1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=N2 1 1.961 3 1 0 -4.24493038125671 355193 C1=CC2=C(C3=C(C=C2)C=CC(=N3)Cl)N=C1 1 3.076 2 0 -1.33658856940016 354966 C1=CC=C2C(=C1)C=CC3=C2C=C(N3)C(=O)O 1 2.953 1 2 3.2150546798206 354929 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 2.377 2 2 -6.25729948462318 354677 CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN.Cl Cl- 1 1.163 3 5 0 -4.27706795405073 354665 C1CSC2(O1)C3=CC=CC=C3NC2=O 1 1.264 1 2 0 -6.19042558419425 354609 CC1=CC(=O)OC2=C1C(=NN2C3=CC(=CC=C3)Cl)C 1 3.644 2 2 2.36759374251135 354525 CC1(CC2=C(C3=CC=CC=C3N2)C(N1)(C)C)C.Cl Cl- 1 2.905 2 0 -5.24554506648387 354446 C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O 1 -1.895 0 10 0 -17.4102576597921 354317 COC(=O)C1=CC(=CN=C1)O 1 0.292 1 3 0 -3.30017790712658 354316 C1=C(C=NC=C1N)C(=O)O 1 -0.438 2 2 0 -3.0012475133251 354261 C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4S3 1 4.476 1 0 6.69217052336993 354159 CCC(C)C(=O)OCC1(CO1)C2=C(C=C(C=C2)C)OC(=O)C(C)C 1 4.146 0 5 -9.34977803117906 353825 CN1C2=CC=CC=C2C(=O)C=C1C3=CC4=C(C=C3)OCO4 1 3.083 1 3 2.4200100264951 353539 COC1=C(C=C(C=C1)CC2=NNC(=NC2=O)NN)OC 1 0.314 5 3 0 -15.8481859985059 353380 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC=C(C4=CC=CC=C43)Br 1 4.937 1 2 -1.96661417434459 353213 CC1=CC2=C(C=C1)N=C(CC(=O)N2)C3=CC=CC=C3 1 3.028 2 1 -3.29979017078225 352482 C1=CC=C(C=C1)N(C2=CC=CC=C2)N=CC3=CC=CC=N3 1 4.509 3 0 -0.546606464066729 352376 C1=CC(=CC=C1C(=O)O)NN=CC2=CC=NC=C2 1 1.927 3 2 0 -1.51947332986712 352307 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)O 1 3.604 1 2 -4.3836283488873 352149 CCOC(=O)CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C 1 1.929 4 6 0 -8.04139059016351 352078 C1=NN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O 1 -2.377 4 5 0 -10.6291688156134 352022 CCCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C 1 1.856 4 2 0 -13.6002558259754 351923 CSC1=NC2=C(N1)C=C(C=C2)Br 1 3.177 2 0 2.52035788933409 351917 CSC1=NC2=C(N1)C=C(C=C2)Cl 1 3.093 2 0 3.06350439340986 351912 CCOC(=O)CSC1=NN=C(S1)N 1 0.696 3 2 0 -14.6016411422764 351907 CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 2.984 3 1 1.82861018094606 351888 C1=CC(=CC=C1CSC2=NN=C(S2)N)[N+](=O)[O-] 1 2.118 4 2 -9.18996582519778 351887 C1=CC(=CC=C1CSC2=NN=C(S2)N)Cl 1 2.888 3 0 -4.86211928434001 351791 C1=CC=C2C(=C1)C(=CN2)CCC(=O)N 1 1.616 2 1 0 -5.60807766496843 351739 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2O 1 2.506 2 2 2.94868646958328 351610 C1=COC(=C1)C2=NN=C(S2)N 1 0.877 3 1 0 2.26370537586606 351532 CN(C)C1=CC=C(C=C1)C=NO 1 1.818 2 1 0 0.335343550311542 351531 CCOC1=CC=CC=C1OCC(=O)O 1 1.627 0 4 0 -8.47902153656408 351524 C1=CC=C2C(=C1)N(C(=S)S2)CC(=O)O 1 3.104 1 2 -5.59787728719371 351332 CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 1 4.126 2 9 0 -23.9327464426661 351190 C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)O 1 1.694 2 3 0 -10.6052469607357 351139 C1COCCN1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 0.72 3 6 0 -9.11851476900757 351111 CC(=O)NC1(CCCCC1)C2CCCCC2=O 1 2.132 1 2 -6.76916402443522 351033 C1=CC=C(C=C1)CN2C3=C(C=NC=C3)N=N2 1 2.073 4 0 -7.56285274820465 350843 CC1CN=C(S1)NC2=CC=CC3=CC=CC=C32 1 3.516 2 0 -4.52839397853398 350821 C=CCNC(=O)C1CC=CCC1C(=O)O 1 0.857 1 3 0 -10.6654184715271 350767 CCCCN1C=NC2=C1C(=O)NC(=O)N2CCCC 1 2.351 4 2 -10.5140001361269 350703 C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NN 1 0.854 6 0 0 4.94772345726893 350702 CC1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C 1 2.038 5 0 3.74386665028884 350697 C1CCC(C(C1)C(=O)NC2=CC=CC=N2)C(=O)O 1 1.65 2 3 0 -3.35581452747469 350689 CC1=CC(=O)OC(=C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C 1 2.577 1 6 0 -10.0396402787544 350421 C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)O 1 2.577 0 3 -1.10008960662057 350194 COC1=C(C=CC(=C1)C2C(=O)C3=CC=CC=C3C2=O)O 1 2.561 0 4 -2.62321727559389 350141 C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 5.057 2 2 -0.87420930396852 350021 C1=CC(=CC=C1C(=O)NCC(=O)N)Cl 1 0.556 2 2 0 -6.3743939754773 350015 CCOC1=CC2=C(C=C1)N=C(S2)Cl 1 3.122 1 1 0.672624022276754 349951 CN1C=CC(=O)C(=C1O)C#N 1 0.163 2 2 0 -1.78463665202427 349843 C1=CC=C(C=C1)C=NNC2=C(C(=O)NN=C2)Cl 1 0.872 4 1 0 -6.94192266484463 349724 C1CCC2(CC1)COC(=O)N2 1 1.55 1 2 0 -2.66255158908597 349626 CC1=CC=C(C=C1)CC(=S)N2CCOCC2 1 2.876 1 1 -3.37651108418156 349503 CNC(=O)N1CCN(CC1)C(=O)NC 1 -1.212 4 2 0 -5.91671605212208 349465 CC1CCCCC1=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 3.425 4 4 0 -6.07139086278625 349243 C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O 1 2.138 2 5 0 -8.06442167270708 349181 COC1=CC2=C(C=C1)C=C(C=C2)C(=O)O 1 2.351 0 3 1.31141005927114 348986 CCCCCCCCCCCCS(=O)(=O)CCC(=O)O 1 4.487 0 4 -9.72331610803915 348740 CC1=CC=CC2=C1N=C3C(=CC=CC3=C2C(=O)O)C 1 3.955 1 2 -0.381081729887455 348698 CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)N 1 3.02 2 1 13.9800532427053 348694 C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)N 1 2.524 3 0 7.54161510198658 348641 C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3C2=O 1 2.767 1 2 -2.02674655794871 348622 CCOC(=O)CC1=NNC(=O)C2=CC=CC=C21 1 1.218 2 3 0 -15.5083329730326 348621 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)O 1 0.644 2 3 0 -13.2294837351707 348580 CCCC1=CC=C(C=C1)OCC(=O)O 1 2.693 0 3 -3.79896467789133 348420 C1=CC2=C(C(=C1)C=O)C3=C(C=CC=C3C(=O)O)C=C2 1 3.035 0 3 -0.278927443346786 348404 C1=CC2=C(C=CC(=C2)Br)C=C1N 1 2.74 1 0 5.12688160050459 348330 CCOC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3 1 3.418 0 3 -4.11343059965881 348276 CC1=CC(=O)C=CC1(C)C(Cl)(Cl)Cl 1 3.218 0 1 1.28702193629735 348135 C1=CC=C2C(=C1)C(=O)C(=C(N2)O)O 1 1.114 1 3 0 -3.97250352391603 348130 COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O 1 2.599 0 5 2.97283568663043 348061 CC1=CC(=CC=C1)NCN2C(=O)C3=CC=CC=C3C2=O 1 2.788 2 2 -2.29163310236314 348035 CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC(=C(C=C3)O)OC)C 1 2.664 0 6 0.225148655395248 347954 C1=CC(=C(C=C1Cl)NC(=O)N)Cl 1 2.069 2 1 0.299096366630864 347850 CC(=O)N1CCCC2=CC=CC=C21 1 1.687 1 1 0 -7.20712508533446 347809 C1CCN(CC1)C(=S)C2=CC3=C(C=C2)OCO3 1 3.352 1 2 -6.19998083106446 347805 C1COCCN1C(=S)C2=CC3=C(C=C2)OCO3 1 2.123 1 3 -7.76827728084005 347766 COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)Br 1 4.162 1 2 6.20703404912027 347743 C1=CC=C(C=C1)C(=O)NCNC(=O)C2=CC=CC=C2 1 1.877 2 2 0 -4.95248486522451 347675 C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3[N+](=O)[O-] 1 3.035 2 4 -8.73445781935477 347657 C1=CC=C(C=C1)C2N=C(NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.609 3 0 0.161274597331145 347641 CCCCCCC(C)OC(=O)NC1=CC=CC2=CC=CC=C21 1 5.576 1 2 -6.91086595580697 347531 C1=CC=C(C=C1)CNC(=O)C2=CC=CO2 1 2.016 1 2 -7.65926899200485 347527 CC(=NNC(=O)N)C1=CC=C(C=C1)Cl 1 1.454 3 1 0 -5.0628430682585 347385 C1=CC=C(C=C1)CNC(=O)CCC(=O)C2=CC=CC=C2 1 2.576 1 2 -12.5372861943955 347384 C1=CC=C(C=C1)C2=C(C2C(=O)N)C3=CC=CC=C3 1 2.438 1 1 -1.1898194917035 347328 C1=CC=C(C=C1)CC2C3=CC=CC=C3NC2=O 1 2.77 1 1 -6.71967849654745 347292 COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)Cl 1 4.078 1 2 7.03267248758559 347291 C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)Cl 1 4.095 1 1 6.97112228041453 347218 C1=CC=C2C(=C1)C3=C(C=CC(=C3)N)OC2=O 1 2.203 1 2 -0.363616092836333 347126 CC(=NNC(=O)N)C1=CC(=CC=C1)Cl 1 1.454 3 1 0 -3.36920697132175 347122 CC(=NO)C1=C(C=C(C=C1)Cl)Cl 1 2.965 1 1 4.89628506626095 347041 CCCCNC(=O)C1=CC=CC=C1Cl 1 3.031 1 1 -10.0668907157242 346945 CC(=O)NC1=NC(=CS1)C2=CC3=CC=CC=C3C=C2 1 2.802 2 1 5.48483779560867 346939 CC(=O)NC1=NC2=C(S1)CCC3=CC=CC=C32 1 2.365 2 1 2.92567783356147 346934 C1CN2C(=CSC2=N1)C3=CC=C(C=C3)Br 1 2.578 2 0 0.364151868267719 346930 C1CCC(CC1)C2=CSC(=N2)N 1 2.489 2 0 2.18836779193135 346929 CCOC(=O)C1=C(N=C(S1)NC(=O)C)C 1 0.725 2 3 0 -10.208216665807 346902 C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC2=O 1 2.507 2 1 -7.62207015645296 346838 COC1=CC=C(C=C1)C(=C2C=CC(=NO)C=C2)C#N 1 2.648 2 2 2.52746588773579 346815 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC 1 2.581 1 3 -5.28392454177081 346767 C1=CC=C(C=C1)NC(=O)OCCOC2=CC=CC=C2 1 3.225 1 3 -4.68772252739758 346755 CC(C)NC(=O)C1=C(C=C(C=C1)Cl)Cl 1 3.093 1 1 -6.90674511424254 346741 C1=CC=C(C(=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl)Cl 1 4.607 1 1 -0.816258744282997 346720 CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)Cl 1 3.558 1 1 -6.46782548932041 346717 C1COCCN1C(=O)C2=CC(=C(C=C2)Cl)Cl 1 2.26 1 2 -4.80210632149702 346715 CCCNC(=O)C1=CC(=C(C=C1)Cl)Cl 1 3.239 1 1 -7.31647286871233 346668 C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)Cl 1 3.286 1 1 -5.92311364982266 346543 C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=CC=CC=C3C=C2 1 3.226 1 2 -7.73693678429074e-002 346538 C1=CC=C(C=C1)NN=CC2=CC=C(C=C2)Cl 1 4.113 2 0 3.61612532574455 346489 C1=CC=C(C=C1)C2=CC(=NO2)C(=O)C3=CC=CC=C3 1 3.926 1 2 0.105734821572045 346470 C1=CC=C2C(=C1)N3C(=NN=N3)S2 1 0.98 4 0 0 -7.02106572437713 346358 CCOC1=CC=CC=C1C(=O)N2CCOCC2 1 1.264 1 3 0 -10.1256594601374 346199 CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)O 1 1.244 1 3 0 -5.78064206974362 346194 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.989 1 2 -0.760704723964959 346140 CC1(CC(=O)C(C(=O)C1)CC2C(=O)CC(CC2=O)(C)C)C 1 1.639 0 4 0 -4.85894851752398 346046 CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)OC 1 3.084 1 2 -2.56996004622413 346045 COC1=CC=C(C=C1)C(=O)NCC=C 1 1.638 1 2 0 -11.2481661529618 345867 CCOC(=O)N1CN(CN(C1)C(=O)OCC)C(=O)OCC 1 1.117 3 6 0 -4.69100925768914 345843 COC1=CC=C(C=C1)N2C(=O)CCC2=O 1 0.973 1 3 0 -6.98250022693242 345792 C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br 1 3.689 0 3 -9.07222363460235 345777 C1=CC=C2C(=C1)C=CC3=C2N=C(N3)C4=CC=CC=N4 1 3.456 3 0 7.58883106777186 345770 C1=CC=C2C(=C1)C=CC3=C2N=C(N3)CO 1 1.842 2 1 0 3.52964511899478 345722 CC(=O)N1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31 1 2.005 1 3 -2.48248719955341 345686 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 1 3.254 2 1 6.02688549352601 345677 C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N 1 2.524 3 0 7.1378595750214 345657 CC1=NC(=NC2=CC=CC=C12)N=C(N)N 1 0.51 5 0 0 0.9218005714209 345651 C1=CC=C2C(=C1)C(=O)N(C(=N2)N)C(=N)N 1 0.453 5 1 0 -4.49927917250278 345643 CC1=CNC(=O)C(=C1)[N+](=O)[O-] 1 -0.136 2 3 0 -4.68687990836942 345568 COC(=O)C1=CC2=CC=CC=C2C(=O)S1 1 2.017 0 3 -3.80066560315889 345560 C1=CC=C2C(=C1)C=C(SC2=O)C(=O)O 1 1.792 0 3 0 -2.53989985639281 345522 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 4.133 1 1 -0.370487659773605 345469 COC(=O)C1C(C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)OC 1 2.901 0 4 -5.46494524570313 345425 C1=CC=C(C(=C1)N)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 4.038 2 2 2.64274684544048 345306 C[As](=O)(C1=CC=CC(=C1)C(=O)O)O 1 1.608 0 4 0 -2.08740600348821 345195 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)N)N=C2C4=CC=CC=C4 1 4.441 3 0 6.57184766293361 345125 CC(=O)NC1=NC=C(C=C1)[N+](=O)[O-] 1 0.233 3 3 0 -6.96603640658401 345104 C1CC2=C(C=CC(=C2)CCCC(=O)O)C3=CC=CC=C31 1 4.526 0 2 -2.1429698745205 345002 COC(=O)C1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.214 2 4 -1.04519423617041 344672 CC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.985 2 3 0 -6.85374558939324 344572 CCOC(=O)CNS(=O)(=O)CCN1C(=O)C2=CC=CC=C2C1=O 1 -9.9e-002 2 6 0 -12.594846119118 344341 C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O 1 3.296 1 4 -2.86706668318506 344281 C1=CC2=C(C(=O)C(=O)C(=C2C=C1)O)O 1 0.157 0 4 0 -2.60635204120964 344256 CCC(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O 1 1.351 1 4 0 -11.469294806827 344197 C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)N=C(N)N 1 2.611 3 0 2.70718503680757 344131 C1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32 1 2.837 1 2 1.4843047238564 344116 C1=CC=C(C=C1)NC(=O)C2=NC3=CC=CC=C3C=C2 1 3.229 2 1 -6.38728814633065 344075 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O 1 4.51 0 2 2.98972167148071 344049 C1C(=C(C(=O)O1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.345 0 2 -0.961606433867325 343973 C1=CC=C2C(=C1)N(C3=CC(=O)C=CC3=[N+]2[O-])O 1 1.033 2 3 0 -1.86409523965949 343948 CC(=O)NC1=C2C=CC=C3C2=C(CC3)C=C1 1 2.459 1 1 -4.0621426376462 343834 C1=CSC(=C1)P(=O)(C2=CC=CS2)C3=CC=CS3 1 4.337 0 1 -2.27794126632338 343659 CN1C2=C(C(=O)N(C1=O)C)N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.536 4 2 -5.41506828882489 343660 C1=CC=C(C(=C1)NC(=O)OC2=C(C=C(C=C2)Cl)Cl)Cl 1 5.163 1 2 -0.672709112571902 343567 CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)OC 1 3.765 2 2 -15.336716902171 343283 C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)NN(C3=O)C4=CC=CC=C4 1 1.984 3 2 0 -2.89000243343232 343127 CC1(COC(=N1)C2=NC(=CC=C2)C3=NC(CO3)(C)C)C 1 2.57 3 2 1.88968924062402 342996 C1=CC=C(C=C1)C(=O)NCC2=NC3=NC=C(C=C3N2)Br 1 2.123 4 1 -10.2437640000409 342796 C1=CC=C(C=C1)COCC(CN2C(=O)C3=CC=CC=C3C2=O)O 1 1.804 1 4 0 -6.59371347484701 342695 CN1C(=CN=C1N2CCN(C2=O)C3=NN=CS3)[N+](=O)[O-] 1 -0.12 7 3 0 -11.5111667806476 342633 CN(C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])NC2C3=CC=CC=C3C(=O)O2 1 3.811 3 4 0 -0.943801721463648 342632 CC1=CC(=C(C(=C1)Br)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C)Br 1 6.472 2 2 -10.5957763447265 342625 C1CC1CNC(=O)NC(=O)C2=C(C=CC=C2Cl)F 1 2.508 2 2 -7.33008130161339 342620 C1=CSC(=C1)C(=O)NC2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O 1 2.236 2 5 0 -10.0201326942635 342597 C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)C=C(N3)C4=CC=CO4 1 1.693 3 2 0 1.26548481757611 342595 C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=CC=C3F)C4=CC=CC=C4 1 5.118 3 1 -3.93287337842748 342533 COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC=CC=C3 1 3.247 0 4 -7.70992482735501 342542 C1=CC(=CC=C1NC(=O)CC(=NO)N)F 1 0.406 3 2 0 0.680726589408629 342543 C1=CC(=C(C=C1C(F)(F)F)NC(=O)CC(=NO)N)Cl 1 1.807 3 2 0 3.72099741708727 342571 C1CC1C(=O)C(=NNC2=CC=C(C=C2)F)C#N 1 2.619 3 1 -1.71641057161215 342564 CSC1=C(C(=NS1)SC)C(=O)N 1 1.591 2 1 0 -5.43660233256224 342561 C1=CC=C(C(=C1)C2NC(=O)C(=C(S2)NC3=CC=CC=C3Cl)C#N)O 1 3.933 3 2 -1.29531385012334 342499 CC1=NC=C(C=C1)NC(=O)NC2=C(C=CC=C2Cl)Cl 1 2.983 3 1 -3.6158864954302 342451 CC1=C(N=NN1C2=C(C=C(C=C2)F)F)C3=CC=CC=C3 1 4.092 3 0 1.35993801255461 342330 COC1=CC=C(C=C1)NC=C2C(=O)CCC3=C2OC4=CC(=C(C(=C34)Cl)O)Cl 1 4.838 1 4 0.238696207895788 342323 C1CC1(NC(=O)C2=CC=C(C=C2)Cl)N3CCOCC3 1 1.65 2 2 0 -4.80429715935727 342284 CC(C1C(=O)NC2=CC=CC=C2S1)C(=O)OC 1 1.731 1 3 0 -10.0184017727492 342221 COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O 1 1.508 0 5 0 -8.4408155902013 342201 C1=CC(=CC(=C1)NC(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)C(F)(F)F 1 4.963 2 2 5.54465888893968 342168 COC1=C(C=C(C=C1)CCNC(=O)C(=O)C2=CNC3=CC=CC=C32)OC 1 3.089 2 4 -9.39204065317932 342164 COC1=C(C=C(C=C1)CCNC(=O)CC2=CC=C(C=C2)Cl)OC 1 3.609 1 3 -11.034116614027 342157 C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1 1 1.478 2 1 0 1.70731650235582 342111 C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C#N)C#N 1 2.28 4 1 -4.91936989230514 342017 C1=CC=C(C=C1)C2=NC3=NC(=CN3N=C2C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-] 1 5.453 5 2 0 -0.5805929421641 342016 CC1=CC(=O)OC2=CC3=C(C=C12)C(=CC(=O)O3)C 1 2.862 0 4 -3.44776110957729 341993 CCCCN1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)CCCC 1 1.498 2 4 0 -5.67142962329322 341980 CN(C)C1C(=O)C2=CC=CC=C2C1=O 1 1.35 1 2 0 0.382129304106495 341876 C1COCCN1C(=O)NC2=CC=CC=C2 1 0.839 2 2 0 -7.12753455476148 341869 CC1=C(C=C(C=C1)NC(=O)N2CCCCC2)NC(=O)N3CCCCC3 1 2.794 4 2 -8.56852709489149 341868 C1=COC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)N)O 1 1.805 3 4 0 -3.89037813225821 341821 CC1=CC=C(C=C1)C(=NC2=CC=CC=C2)N 1 3.155 2 0 3.24195802716034 341820 C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)O 1 2.698 0 3 -1.08047838746529 341783 CCN1C2=C(C3=CC=CC=C31)C4=C(C=C2)N5C=CC=C5C=N4 1 4.188 3 0 2.39675811977244 341725 COC1=CC(=C(C=C1)OC)NC(=O)N(CC=C)CC=C 1 2.352 2 3 -11.2583069385274 341552 CCOC(=O)C1=C(N(C(=S)S1)C)C 1 2.373 1 2 -7.3969984606922 341427 C1CC(=O)NC(=O)C1NC(=O)C2=CC=CC=C2 1 0.272 2 3 0 -14.3854775708197 341408 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)Cl 1 3.187 1 2 -0.880609438786911 341385 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-] 1 9.4e-002 3 4 0 -6.68671047040431 341255 CCCCC(=O)C1=C(OC2=CC=CC=C2C1=O)O 1 3.097 0 4 -2.90072598079289 341156 C#CC1=CC(=CC=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 5.07 1 1 2.75592523331754 341154 C1=CC(=CC=C1C2=NC=C(O2)C3=CC=C(C=C3)Br)[N+](=O)[O-] 1 4.104 2 3 6.64967697631686 341080 C1=CC=C(C(=C1)CON2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-] 1 2.186 2 5 0 -5.40219821315655 341051 CC1=CC2=C(C=C1C)NC3=C(N2)C(=O)C(O3)C4=CC(=CC=C4)O 1 3.429 2 3 -3.97278013606588 340946 CC1=CC2=C(C=C1C)NC3=C(N2)C(=O)C(O3)C4=CC=C(C=C4)OC 1 3.654 2 3 -5.74248138329362 340904 CC1=C(C=C(C=C1)Cl)NC(=O)N(C)CCO 1 1.763 2 2 0 -7.78285818358711e-002 340896 CC1=CC(=O)C2=C(NN(C2=N1)C3=CC=CC=C3)C 1 1.311 3 1 0 -5.62094571314429 340874 C1=CC=C(C=C1)C2C(=O)C(=C(O2)N)O 1 0.615 1 3 0 -1.65175924727357 340723 CC1=CCC2C(C1)C(=O)N(C2=O)C3=NOC(=C3)C 1 1.596 2 3 0 -9.10230533995449 340721 C1=CC(=C(C=C1C(F)(F)F)NC(=O)CSCC(=O)O)Cl 1 2.519 1 3 -6.5481886801006 340715 CCOC(=O)C1=C(N2C(=CC(=N2)C3=CC=CC=C3)N=N1)C 1 2.497 4 2 -5.93402554898665 340711 C1=CSC(=C1)C2=CC=NN2 1 2.037 2 0 -4.88280244034987 340708 CC1=NN(N=C1C(=O)NC2=CC3=C(C=C2)NN=C3)C4=CC=CC=C4 1 2.546 6 1 0 -5.59617210416151 339179 CC(=O)NC1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC=C(C=C3)NC(=O)C 1 1.909 7 2 0 -6.09449777959271 339079 C1=CC=C(C=C1)S(=O)(=O)NC2=CN=CC=C2 1 1.167 2 2 0 -3.94007741926275 338932 CC1C(N(C(CC1=NO)C2=CC=CC=C2)C)C3=CC=CC=C3 1 3.838 2 1 8.74289926958955 338839 CN1C(=NC2=CC=C(C=C2)OC)C(=NC3=CC=C(C=C3)OC)N(C1=S)C4=CC=C(C=C4)OC 1 5.43 4 3 0 2.29419627074699 338741 C1=CC=C(C(=C1)C2=NNC(=O)NC2=O)N3C(=O)NC(=O)C(=N3)C(=O)O 1 -0.427 6 6 0 -16.8344777287721 338568 CC1=CC=C(C=C1)N2C(=O)CC(CC2=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.167 1 5 -8.04911295566068 338567 COC1=CC=C(C=C1)N2C(=O)CC(CC2=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.664 1 6 0 -8.29330631589539 338515 CSC(=O)NC(=O)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 1.698 3 5 0 -6.27507069221775 338190 CCCC1=NC(=NC(=N1)NC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.635 5 2 0 -8.6881701992194 338050 CC1(OC(=O)C(=NNC2=CC=CC=C2)C(=O)O1)C 1 1.676 2 4 0 -5.54394861967216 338049 CC1(OC(=O)C(=NNC2=CC=CC=C2[N+](=O)[O-])C(=O)O1)C 1 1.57 3 6 0 -7.4788903939922 338046 CC1(OC(=O)C(=NNC2=CC=C(C=C2)Cl)C(=O)O1)C 1 2.34 2 4 -3.56529579071199 337980 CN1C(=C(C(=O)NC1=O)C(=O)C=CC2=CC=CC=C2)N 1 0.797 3 3 0 -5.60009034683706 337817 C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CC=CC=C4)N 1 3.907 3 0 -8.2779723376865e-002 337779 CC1=C(C=C(C=C1)C(=O)OC)N(CCO)CCO 1 1.255 1 4 0 -5.83219584892937 337640 CC1=NC2=CC=CC=C2C(=O)N1N=C3C4=CC=CC=C4N(C3=O)C 1 1.967 4 2 0 -3.81113228786011 337612 COC(=O)C1=C2CCCN2C(=C1C(=O)OC)C3=CC=C(C=C3)Cl 1 3.715 1 4 -1.2610996137023 337601 C1=CC(=O)C2=C3C=CNC4=C3N(C2=C1)C(=O)C=C4 1 -0.625 2 2 0 -5.28763340536373 336937 CC1=CC(=O)C2=CC3=C(C(=C2O1)Br)OC(=N3)C4=CN=CC=C4 1 2.95 2 3 6.93777885714566 336904 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=NC=CS4 1 3.273 3 1 -3.67954985909161 336484 CC1=C(C2=CC=CC=C2N1)CCCO 1 2.441 1 1 2.99256658098033 336327 COC1=CC2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)O 1 2.682 0 4 0.670035555442042 336326 CC1(CCC2=C(O1)N(C3=CC=CC=C3C2=O)C)C 1 3.305 1 2 -1.75876552163414 336252 C1CCC2=C(C1)C3=C(S2)N=CN4C3=NN=C4 1 2.441 4 0 -7.78523784794641 336248 CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C)C 1 1.597 2 3 0 -15.2419502542743 336171 C1=CC=C(C=C1)NN=C(C(=O)N)N=NC2=CC=CC=C2 1 3.414 5 1 2.01633018249282 336005 C1=CC=C(C=C1)CC(=O)NCCCC(=O)O 1 1.123 1 3 0 -17.1714350286606 335629 CC1=CC(=NC2=C1C(=NC3=CC=CC=C32)C)C4=C(C5=CC=CC=C5N=C4C)N 1 4.64 4 0 3.12081296751416 335345 CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C 1 2.817 1 6 0 -5.37867323240845 335343 CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC)C 1 2.906 0 5 -1.25396297343026 335306 CSC1=NC2=C(N=CN=C2S1)NCC=C 1 2.382 4 0 -6.50355182202377 335194 C1=CC=C2C=C3C(=CC2=C1)C(=O)NC3=O 1 1.564 1 2 0 -1.84105125100666 335179 C1=CC(=CC=C1C(=O)NCC(=O)C2=CC=C(C=C2)Br)Cl 1 3.706 1 2 -4.77750127691474 335175 C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C=C2)Cl)Cl)N 1 3.196 2 1 -1.94049310972427 335168 CC1=C(C=CC(=C1)N2C(=NN=N2)SCC#C)Br 1 4.227 4 0 -13.9427949956265 335096 C1=CSC(=C1)C(=O)C2=CN=C(C=C2)N 1 1.829 2 1 0 -4.45953984781872 335095 C1=CSC(=C1)C(=O)C2=CN=C(C=C2)Cl 1 2.91 1 1 -4.79034396383315 335067 C1CCN(CC1)C2=CC=CC=C2C(=O)N 1 1.911 2 1 0 -1.48607821911801 334856 CC1=CC(=NC(=C1C#N)OC)OC 1 2.089 2 2 -7.39070418648568 334839 CC(=O)OC1=C(C=C2C(=C1)CC(N2)(C)C(=O)OC)OC(=O)C 1 1.403 1 6 0 -5.05286978518517 334739 COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)NC3CC3)OC)NC(=O)NC4CC4 1 2.527 4 4 0 -9.79490284262305 334708 CCN1CC2=C(C3=C(C=CC(=C3)OC)N=C2C=CC4=CC=CC=C4)N(C1)C5=CC(=CC=C5)Cl 1 7.058 3 1 5.66530708637088 334612 CC(=O)C(=CC1=CC=C(C=C1)O)C(=O)C 1 1.476 0 3 0 3.29205791833604 334608 C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)C(=O)O)C=C2 1 3.574 0 2 1.05795484927509 334514 CCC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C 1 2.492 1 4 -19.1929340559635 334460 CCOC(=O)C1=C(C2=C(S1)N=C(C=C2C)C)N 1 2.258 2 2 -6.43899508580379 334459 C1COCCN1CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 2.252 3 2 -0.743330395873798 334415 C1CCN(CC1)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.482 3 1 1.65527581503829 334373 CN1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C=C1C(=O)NN 1 2.698 3 2 0.331512836811998 334189 C1=CC(=CC=C1NC(=O)C2=CC=NC=C2)NC(=O)C3=CC=NC=C3 1 1.098 4 2 0 -5.68567616927638 334181 COC1=C(C=C(C=C1)CCNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC 1 4.727 1 3 -5.09997523399609 334134 CC(C(=O)O)NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 2.533 1 3 -14.8337759572807 333984 CC1=CC(=O)NC2=C1C=CC(=C2C)N 1 1.438 2 1 0 -3.71749366074367 333972 CN(C)C1=NN=NN1CC2=CC=CC=C2 1 0.807 5 0 0 -11.8428692365911 333967 C1=CC=C(C=C1)C=NN2C(=NN=N2)N 1 0.58 6 0 0 -4.5649969333187 333943 C1=CC(=CC(=C1)F)C2=NNN=N2 1 1.504 4 0 0 5.09344478285568 333906 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C(=O)NC3=CC=CC=C3C4=CC=CC=C4 1 4.917 2 2 0.147981595259649 333140 CC1(CC(=CC(=O)C1)NCCO)C 1 0.309 1 2 0 -13.5049772835923 333044 C1CSC2=NC(=C(N21)C#N)C3=CC=CC=C3 1 2.942 3 0 0.180254485497476 333037 CC1=CC=C(C=C1)C2=CN3CCSC3=N2 1 3.258 2 0 3.89465197911224 333033 C1CSC2=NC(=CN21)C3=CC=C(C=C3)Cl 1 3.436 2 0 5.71665066969906 332978 C1=CC=C2C(=C1)C3(C(=O)N2)NC4=CC=CC=C4S3 1 2.78 2 1 -5.36355143428987 332976 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=CC=C3Cl 1 3.344 3 1 -4.17173126723107 332934 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)N(C)C)C 1 1.576 3 3 0 -33.4124032396732 332931 CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)C 1 1.26 2 3 0 -30.345692842543 332928 CC1=CC(=NC(=C1C#N)SC(C2=CC=CC=C2)C(=O)NC(C)(C)C)C 1 4.117 3 1 -17.3052331450159 332921 CC1=C(SN=N1)C(=O)NCC2=C(C=CC=C2Cl)F 1 2.61 3 1 -15.5338352496162 332919 CC1(OC(=O)C(=CC2=CC=C(C=C2)N(C)C)C(=O)O1)C 1 2.048 1 4 -5.61186256901989 332918 CC1(OC(=O)C(=CC2=CC=CN2)C(=O)O1)C 1 1.271 1 4 0 -0.496895723383861 332834 CC1=C(C(=N)OC2=C1C=CC3=CC=CC=C32)C(=N)C(C#N)C#N 1 2.969 4 1 -0.348009611301273 332784 CC1=C(C=C(C=C1)NC(=O)N2CCCCC2)[N+](=O)[O-] 1 2.449 3 3 -8.16183519539158 332780 C1C2=CC=CC=C2C3=C1C(=NN3)C4=CC(=C(C=C4)Cl)Cl 1 5.504 2 0 5.75955103458544 332769 C1=CC=C(C(=C1)C(=O)O)NCC2=CC=CO2 1 2.033 1 3 -2.81619368664551 332767 COC(=O)CC1(N(C(=O)C2=C(O1)C=CC(=C2)Br)C3=C(C(=CC=C3)Cl)Cl)C(=O)OC 1 4.753 1 6 0 -3.45324910879465 332766 COC(=O)CC1(N(C(=O)C2=C(O1)C=CC(=C2)Br)C3=C(C=C(C=C3)Br)Cl)C(=O)OC 1 4.837 1 6 0 -2.15342524777731 332757 CCOC1=CC=C(C=C1)C=NNC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 3.562 3 3 -8.76049580129079 332698 CC1=CC(=CC=C1)N=C(NC#N)SC 1 2.83 3 0 3.53301741150133 332697 CSC(=NCC=C)NC#N 1 1.384 3 0 0 -4.38329583846582 332456 C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=CC=CO3 1 1.721 2 2 0 -2.71497652517605 332442 C1=CC=C2C(=C1)C(=O)NN=CO2 1 0.782 2 2 0 -4.68812444701645 332435 CC1=C2C(=CC=C1)SC(=N2)NC(=O)NC3=CC(=CC=C3)SC 1 4.176 3 1 0.949171970606358 332430 C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.707 4 3 0 -1.98102097546161 332429 C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.707 4 3 0 -1.83626064574765 332398 CC1=NC(=CS1)C2=CC(=C(C=C2)OC)OC 1 2.46 1 2 0.822772366057821 332219 C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NC3=CC=C(C=C3)O 1 4.751 1 2 8.2102292580835 332185 C1N(CSC(=S)N1CC2=CC=CO2)CC3=CC=CO3 1 3.657 2 2 -4.00745327588154 332175 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC=CC=C2Cl 1 2.044 2 3 -10.5724517953409 332174 C1=CC(=CC(=C1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl 1 2.887 2 4 1.59695562171189 332164 CC1=C(C(=NN1C(=O)C2=C(ON=C2C3=CC=CC=C3)C)C)N=NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F 1 7.156 5 2 0 1.32340667104397 332058 C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4C5=CC=CC=C53)N=N2 1 5.812 3 0 -6.06354471427766 331926 CCOC(=O)C(C)(C)OC1=CC=CC2=C1S(=O)(=O)C3=CC=CC=C23 1 3.456 0 5 -3.38508377992075 331820 C1COCCN1C(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)N 1 -5.4e-002 6 2 0 -13.5580238754331 331807 C1=CN(C=C1)C2=C(C=NN2C3=CC(=CC=C3)Cl)C#N 1 3.6 4 0 3.40509175035932 331795 CCCCOC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)C 1 2.569 4 2 -11.2374665520934 331791 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NC=C(C=C2)Cl 1 2.779 3 3 -5.15727543168972 331788 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 3.444 3 3 -3.83872481006693 331787 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=C(C=CC=N2)C 1 2.601 3 3 -7.05981602296817 331775 C1=C2C(=CC(=C1Cl)Cl)N=CN2 1 2.674 2 0 -1.51309121572058 331772 C1=CC(=C(C=C1I)Cl)N2C(=O)C=CC2=O 1 2.631 1 2 5.33925917398594 331767 CC(C)(C)C1=CC=C(C=C1)N2CN(C(=S)SC2)C3=CC=C(C=C3)C(C)(C)C 1 8.271 2 0 -1.48441637109644 331715 CC1=CC(=C(C=C1)NC2=NN=C(O2)C3=CC4=C(C=C3)OCO4)C 1 3.324 3 3 1.28405939908282 331595 C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.568 4 5 0 -6.92068415635104 331558 C1C(OC2=C1C(=C(C(=N2)N)C#N)N)CO 1 -0.31 4 2 0 -3.63291662536397 331557 C1C(OC2=C1C(=C(C(=N2)N)C#N)N)CCl 1 0.895 4 1 0 -4.51146653255767 331553 COC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.354 2 5 0 -14.1295167999453 331544 C1=CC=NC(=C1)C2=CC(=C3C=CC=CN3C2=O)C(=O)C4=CN=CC=C4 1 1.238 3 2 0 -7.33771663499311 331342 CS(=O)(=O)O.C1CCNC(C1)C(C2=CC(=NC3=C(C=C(C=C23)Cl)Cl)C(F)(F)F)O CS(=O)(=O)O 1 4.688 2 1 2.39486822264702 331277 C1=CC(=CC=C1C=NNC(=O)C2=CC=NC=C2)F 1 1.738 3 1 0 -4.82234906711963 331255 C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F 1 4.448 1 1 0.91700753555666 331252 C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=NC=C4 1 1.612 3 2 0 -6.49746023390746 331249 C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC=CC=N4 1 2.248 3 1 -4.89743396493717 331166 C1=CC(=CC=C1C2=NC(=CS2)C3=CC4=C(O3)C=CC(=C4)Cl)Cl 1 6.081 1 1 14.2080724140317 331164 CN1C2=C(C=C(C=C2)Cl)C(=O)N3C1=NCC3 1 1.72 3 1 0 -1.17120641933692 331161 CC1=C(C=C2C(=C1NC(=O)C3=CC=CC=C3Cl)C(CC2(C)C)(C)C)N4CCCC4 1 6.361 2 1 -1.06599670660834 331156 C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4N5C3=CC=C5)Cl 1 5.057 2 2 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CC1(CSC(=N1)NC2=CC=C(C=C2)OC)CO 1 1.908 2 2 0 0.342034764584155 330526 CC1=C(N=CC=C1)NC2C3=CC=CC=C3C(=O)O2 1 2.97 2 2 -4.13890756823647 330513 CCOC(=O)C1=C(NC(=C(C1C2=CC=C(S2)[N+](=O)[O-])C(=O)OCC)C)C 1 2.331 2 6 0 -13.6380347120816 330502 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCCN4C3C5=CC=CC=C5C4=O 1 2.687 3 3 -9.93690750530981 330501 CC1=CC(=CC=C1)NC2=C(C(=O)NC3(S2)CCCC3)C#N 1 3.248 3 1 -1.01114449904019 330490 C1=CC(=C(C(=C1)F)C(=O)NC2=NN=C(S2)C(F)(F)F)F 1 2.848 3 1 -8.97403537049289 330473 CCOC1=C(C(=C2C(=C1)C(=NC=N2)Cl)OCC)OCC 1 3.258 2 3 -1.22016040731776 330452 C1COCCN1CCCNC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NCCCN4CCOCC4 1 1.814 6 4 0 -10.2201704957905 330436 C1=CC=C2C(=C1)NC(=N2)C(=CC3=C(C=CC=C3Cl)Cl)C#N 1 4.906 3 0 0.447200428127525 330408 CC(=O)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)OC(=O)C)OC(=O)C 1 -1.404 2 9 0 -25.3792098314382 330346 CC1=CC(=O)C2=CC=CC=C2S1 1 2.46 0 1 1.14686184113661 330267 CCN(CC)CC1=C(C=C2C(=C1)NC3=C4C=CC(=CC4=NC=C23)Cl)OC 1 4.928 3 1 8.17426004507728 330197 COC1=CC(=CC(=C1OC)OC)C2=NNC(=O)O2 1 1.472 2 5 0 -7.89886203994592 330196 CCOC(=O)CSC1=NN=C(O1)C2=CC(=C(C(=C2)OC)OC)OC 1 2.219 2 6 0 -16.7813976315043 330034 COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)OC 1 1.814 0 11 0 -16.0500664895843 329943 CC(=O)N=C1N(C=CS1)CC(C2=CC=CC=C2)O 1 1.119 2 2 0 -11.0006220801649 329859 C1=CC=C(C=C1)CN2C(=C(N=N2)C#N)N 1 1.281 5 0 0 -11.4515721415626 329711 COC1=NC(=NC(=N1)NC2=CC(=CC=C2)F)OC 1 2.594 4 2 -1.24113549264175 329530 C1=CC(=C(C(=C1)C(=O)O)Br)C(=O)O 1 1.837 0 4 0 -1.29897522802188 329474 CCNC1=NN2C=CC=CC2=C1C=C(C#N)C(=O)OCC 1 1.793 4 2 0 -10.2813218464881 329202 C1=CC=C(C(=C1)N)SCC2=CSC(=N2)C3=CC=C(C=C3)Cl 1 4.468 2 0 2.68848600278566 329188 C1COCCN1CC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 1.839 3 2 0 5.02834203981133 329185 C1=CC=C(C=C1)C=CC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 5.596 2 0 -1.54154586283742 329167 COC1=NC(=NC(=N1)NC2=CC=CC(=C2)C(F)(F)F)OC 1 3.331 4 2 1.33367143135253 329165 C=C1C2(CCCCC2)N(C(=NC3=CC=CC=C3Cl)S1)C(=O)C4=C(C5=CC=CC=C5S4)Cl 1 8.33 2 1 3.77414871365599 329164 CC1=C(C(=CC=C1)Cl)N=C2N(C3(CCCCC3)C(=C)S2)C(=O)C4=C(C5=CC=CC=C5S4)Cl 1 8.816 2 1 1.26805201188457 329163 CC1(C(=C)SC(=NC2=CC=CC=C2Cl)N1C(=O)C3=C(C4=CC=CC=C4S3)Cl)C 1 7.198 2 1 3.00639110358162 329073 C1C2=CC=CC=C2C(NC1=O)C3=C(C=C(C=C3)Cl)Cl 1 3.767 1 1 -3.59372709111222 329036 C1=COC(=C1)CNC(=O)NCCCCCCNC(=O)NCC2=CC=CO2 1 1.643 4 4 0 -11.5185757775356 328996 C1CN(C(=O)N1)C(=O)COC2=C(C=C(C=C2)Cl)Cl 1 2.006 2 3 -10.3869865094287 328988 C1=CC=C(C=C1)NC(=O)N(CCC#N)C2=CC=CC=C2 1 2.707 3 1 -7.14661855401972 328981 CN(C)S(=O)(=O)C1=CC=CC=C1N=C=S 1 1.706 2 2 0 -5.00400672821671 328968 C1C(OC(=O)N1)COC2=CC=C(C=C2)Cl 1 2.16 1 3 -1.49833971292939 328928 CC1=CC(=CC=C1)NC2=C(C(=C(S2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl)N)C#N 1 5.74 3 2 0.371095607053704 328916 CN1C(NC(=O)C2=CC=CC=C21)C3=CC=C(S3)[N+](=O)[O-] 1 2.779 3 3 1.09493486303537 328915 CN1C(NC(=O)C2=C1C=CC(=C2)Cl)C3=CC=C(S3)[N+](=O)[O-] 1 3.444 3 3 4.52860159888708 328910 CN1CCC2=CC=CC=C2C1CC3=CC=CC=C3NC(=O)C4=C(C5=CC=CC=C5S4)Cl 1 6.513 2 1 -5.70698782328667 328774 C1CCN(C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)N 1 1.623 3 2 0 -0.863373365254014 328773 CCN(CC)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N 1 1.86 3 2 0 -1.10614472498826 328761 CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3C(=O)CC4(C3=O)CCCC4)C)N5C(=O)CC6(C5=O)CCCC6 1 5.481 2 4 1.93719126045541 328746 C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=CO2 1 3.565 0 2 5.40455507902001 328144 C1CCNC(C1)C(C2=CC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O 1 4.912 2 1 2.42836458050567 328042 COC1=C(C2=C(CC3C4=CC5=C(C=C4CC[N+]3(C2)[O-])OCO5)C=C1)OC 1 2.593 1 5 -6.55892933320146 328013 C1=CC=C2C(=C1)C(=NC2=O)NC3=NC4=CC=CC=C4N3 1 2.55 4 1 2.81330212288434 328012 C1=CC=C2C(=C1)C(=CC3=NC4=CC=CC=C4S3)NC2=O 1 2.965 2 1 0.205622237940614 327999 C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)F)C(=O)O 1 2.765 1 3 -11.4937641253818 327954 CC1=CN2C(=NC=C2[N+](=O)[O-])C=C1 1 1.49 3 2 0 -4.3798878296158 327935 COC1=CC(=CC(=C1)NC(=O)SC2=NCCS2)OC 1 3.183 2 3 -9.3751027508133 327719 COC1=NOC(=C1)CCC(=O)O 1 0.797 1 4 0 -8.10175796739317 327598 CC(C)C1=CC=C(C=C1)C2NC(CS2)C(=O)O 1 0.106 1 2 0 -12.0174043868257 327593 C1C(NC(S1)C2=CN=CC=C2)C(=O)O 1 -2.239 2 2 0 -12.6290455366729 327591 C1C(NC(S1)C2=COC3=CC=CC=C3C2=O)C(=O)O 1 -1.57 1 4 0 -11.5170338504184 327479 C1CCC(CC1)NC(=O)N2CCCC2 1 1.894 2 1 0 -9.60414725613678 327475 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=O 1 2.33 2 3 -5.54599567560071 327173 C1=CC=C2C(=C1)NC3=NN=C(C=C3S2)Cl 1 2.826 3 0 -0.325096773093278 327172 C1=CC=C(C(=C1)N)SC2=CC(=NN=C2Cl)Cl 1 3.331 3 0 -0.781312824327051 327121 COC1=CC=C(C=C1)C(=O)NC2=CN=CC=C2 1 1.447 2 2 0 -5.05434974069905 327073 COC1=CC=CC=C1N=C2N(C(=O)CS2)CC3=CC=CO3 1 2.837 2 3 -7.67384038203426 327045 C1CCN(C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-] 1 2.264 3 4 0 -1.93794551231767 327035 C1CC2=C(C1)[N+](=O)C3=CC=CC=C3N2[O-] 1 1.509 2 2 0 -4.75709475277717 327018 CCOC(=O)CC1=CSC2=NC(=NN12)C3=CC=CC=C3 1 2.644 3 2 -5.27410548416787 326893 CC1=CC(=C(C(=C1)C)N=C2N(C3(CCCCC3)C(=C)S2)C(=O)C4=C(C5=CC=CC=C5S4)Cl)C 1 9.125 2 1 1.29203637081306 326813 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 3.39 5 3 0 -9.49129188439372 326810 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CC=C3)C4=CC=CC=C4 1 3.495 4 1 -7.73082918043124 326793 CC(=O)C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC2=O 1 1.948 2 2 0 -7.38451091339737 326788 CC(=O)N1C(CC2=C(C1(C)C)NC3=CC=CC=C23)C(=O)O 1 2.022 2 3 -5.63149550608977 326784 CC1(C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2)C 1 -0.479 2 2 0 -7.07320569199543 326728 CC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC2=O 1 2.694 2 1 -2.76260214099443 326670 CC1=C(C2=CC=CC=C2N1)SCC3=CC=CC=C3 1 4.394 1 0 0.488384057982056 326579 C1CN2CN1CN(C2)S(=O)(=O)C3=CC=CC=C3 1 0.808 3 2 0 -13.0969472459273 326577 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSN=N3 1 3.84 2 0 0.382339201342893 326092 CC1=CC2=NC(=CN2C=C1)CC(=O)O 1 1.149 2 2 0 -7.42406136574394 325876 C1=CC(=C(N=C1)NC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N 1 2.802 3 2 -2.67102908910179 325875 C1=CC(=C(C(=C1)Cl)Cl)NC2=C(C=CC=N2)S(=O)(=O)N 1 2.802 3 2 -4.66187312974877 325657 CSC1=NC(=C(S1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N 1 2.132 4 3 0 -7.79916349033735 325656 COC1=CC=C(C=C1)NC(=O)C2=C(N=C(S2)SC)N 1 2.221 3 2 -6.11773191212426 325654 CSC1=NC(=C(S1)C(=O)NC2CCCCC2)N 1 2.519 3 1 -8.13500760080406 325627 CC1=CC(=NN1C(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N)C 1 2.085 5 3 0 -11.2989911050543 325448 CC1=NC(=NC=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.762 4 4 0 -4.69593596353522 325418 CC1=NC(=CN1C2=C(N3C=CC=CC3=N2)[N+](=O)[O-])[N+](=O)[O-] 1 1.907 6 4 0 -6.68304327963258 325415 C1CN(CCN1CCO)C2=C(N3C=CC=CC3=N2)[N+](=O)[O-] 1 1.123 5 3 0 -0.124078249375898 325406 CCOC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)Cl)C(=O)OCC)C)C)C 1 3.769 1 4 -9.11028318588858 325373 C1CCN(CC1)S(=O)(=O)C2=C(C=CN=C2)N3CCN(CC3)CCO 1 0.293 4 3 0 -6.26145389463619 325292 CC1C2CCC3(CCC(=O)C(C3C2OC1=O)C)C 1 2.401 0 3 -2.80568126686682 325266 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=C(C=C4)SC5=CC=C(C=C5)C6=NC7=CC=CC=C7N=C6C8=CC=CC=C8 1 10.664 4 0 6.9784020091945 325181 CCOC(=O)C1=C(NC=C1)CC(=O)NC 1 0.662 2 3 0 -8.69658542240696 325108 C1OC2=C(O1)C=C(C(=C2)C(=O)NC3=CC=CC4=CC=CC=C43)Br 1 4.039 1 3 -3.59954334569637 325090 C1CCN(CC1)C(=S)SCC(=O)C2=CC=CC=C2 1 4.377 1 1 -6.42690253686926 324945 C1=CC(=CC(=C1)Cl)N2C(=O)C3=CNN(C3=NC2=O)C4=CC=C(C=C4)Cl 1 3.229 4 2 4.22223836666499 324932 C1=CC(=CC=C1NC(=O)NC2=NC=CS2)Cl 1 2.184 3 1 -2.36492279360873 324787 C1=CC=C(C=C1)CNC2=CC=CC=C2C#N 1 3.101 2 0 -2.0217725008431 324720 CC1=C(C=C(C=C1)N2C(=O)CSC2=S)C 1 3.699 1 1 -2.22678079740897 324639 C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)F 1 2.932 1 1 -1.62968322767429 324634 C1C(=O)N(C(=S)S1)C2=CC(=CC=C2)F 1 2.932 1 1 -0.607258507344409 324461 CCCCC(=O)NC1=NC=C(S1)[N+](=O)[O-] 1 1.545 3 3 0 -6.02638831691954 324450 C1=CC(=NC(=C1)Cl)NNC(=O)CCl 1 1.13 3 1 0 -4.7432026571008 324447 C1=CC(=NC(=C1)Cl)NNC(=O)N 1 0.387 4 1 0 -3.26308105332655 324444 CCC1=NN=C2N1C(=CC=C2)Cl 1 2.121 3 0 -4.0054486963423 324442 CCC(=O)NNC1=NC(=CC=C1)Cl 1 1.264 3 1 0 -4.10046045041252 324436 CC(C)(C)C1=NN=C2N1C(=CC=C2)Cl 1 3.001 3 0 -1.37990298778001 324432 CC(=O)NNC1=NC(=CC=C1)Cl 1 0.597 3 1 0 -2.56316133455097 324319 C1=CC(=CC(=C1)Cl)C(=O)OC2=CC=CNC2=O 1 1.476 1 3 0 -6.69819670792929 324213 C1=CC=C2C(=C1)C(=CN=C2C#N)Cl 1 2.559 2 0 -2.64730093382443 324119 C1COCCN1C(=O)CSC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.52 2 3 -4.36311557531711 324088 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC=CS2 1 1.581 3 3 0 -6.41925366106405 324076 CS(=NS(=O)(=O)C1=CC=C(C=C1)Cl)(=O)C 1 2.141 1 3 -2.53983600083258 323717 C1=CC=C(C=C1)NC(=O)ON=C2C3=CC=CC=C3C4=CC=CC=C42 1 4.385 2 2 1.75511891191356 323637 COC(=O)NC1=CSC2=C1NC(=O)CCCC2 1 1.483 2 3 0 -11.3528857102022 323616 CCC(=O)NC1=C(C(=O)C(=C(C1=O)Cl)NC(=O)CC)Cl 1 0.408 2 4 0 -2.26670645649603 323532 COC1=CC=C(C=C1)C(=O)OC2=CC=CNC2=O 1 0.796 1 4 0 -8.7244085422343 323487 CCOC(=O)C1=C(N=C(C(=C1C2=CN=CC=C2)C(=O)OCC)C)C 1 2.02 2 4 -3.49860419384671 323484 C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C4=CN=CC=C4 1 2.894 1 2 2.91667708367536 323381 C1C2CC3CC1CC(C2)(C3)N4C=CN=C4 1 2.066 2 0 1.36399571021437 323337 CN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=C(C=C3)Cl 1 2.006 4 2 0.997772952283728 323282 C1=CNC(=O)C(=C1)OC(=O)NC2=CC=C(C=C2)F 1 0.926 2 3 0 -4.9717083682798 322942 CCCOC1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)N 1 4.267 2 1 7.23197292979416 322941 CCCOC1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.908 2 3 4.02811720717195 322919 CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)N3CCCCCC3 1 3.483 3 2 -1.19557358999815 322878 C1=CNC(=O)C(=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 0.601 3 7 0 -10.9778524081848 322847 C1=CC(=CC=C1C2=CN=C3C(=N2)C(=O)NC(=O)N3)Cl 1 1.842 4 2 0 0.466459540184443 322449 CC1=C(C(=C2C(=C1OC(=O)C)C3(C(O2)CC(=O)C(=C3O)C(=O)C)C)C(=O)C)OC(=O)C 1 1.07 0 9 0 -3.86237719348826 322430 CCCCCC(=O)C(=O)C1=C(C=C(C=C1)O)O 1 2.997 0 4 0.469743453466106 322349 CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC=CC=C2)N 1 0.544 3 3 0 -11.1231224416729 322321 C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC(=CC=C3)Cl 1 3.197 2 1 -1.56556741842967 322247 CCOC(=O)C=C(C)SC1=C(C2=CC=CC=C2C(=C1)O)O 1 3.514 0 4 1.35238000624186 322051 C1=CC=C(C=C1)NC(=O)OC2=CC=CNC2=O 1 0.72 2 3 0 -5.8402395321184 321919 COC1=C(C=C2C(=C1)C3=C4C(=CC=C3)CCN4C2=O)OC 1 2.55 1 3 -5.45206790334046 321877 CCNC(=O)OC1=CC=CNC1=O 1 -0.508 2 3 0 -10.2417896859068 321836 CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)SC3=CC=C(C=C3)Cl 1 5.35 2 2 0.214289765068944 321779 C1COCCN1C2=CC=C(C=C2)C=C(C#N)C#N 1 1.865 3 1 0 -1.03684242921017 321725 C1=CC=C2C=C(C=CC2=C1)C3=CN=CN=C3N 1 2.27 3 0 8.05362170023009 321719 C1=CC(=CN=C1)COC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.355 2 2 -0.360515163212186 321423 COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.366 1 4 -6.75484425811815 321403 CC1=C(C=C2C(=C1)CCC(N2)CNC(C)C)[N+](=O)[O-].CS(=O)(=O)O CS(=O)(=O)O 1 2.908 3 2 -7.93734552672129 321216 COC1=CC=C(C=C1)NC(=O)N2CCOCC2 1 0.823 2 3 0 -7.38384662553227 321195 C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] 1 5.389 2 2 -1.71312521266533 321194 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC(=CC=C4)[N+](=O)[O-] 1 5.875 2 2 -2.46191993093569 321186 C1=CC=C2C=C3C(=CC2=C1)OC(O3)C(=O)O 1 2.424 0 4 -0.672705003632987 321179 C1=CC=C2C(=C1)N=C(S2)NN=CC3=CC=CS3 1 3.39 3 0 2.68744230917226 321079 C1COCCN1C2=NN=C(C=C2)Cl 1 0.854 3 1 0 -2.19024041634267 321075 CC1=CC(=NN1C2=CC(=NC=N2)N3CCOCC3)C 1 1.014 5 1 0 -3.13712602887911 320937 C1=CC(=C(C=C1NC(=O)ON=CC2=CC=NC=C2)Cl)Cl 1 3.23 3 2 2.3690518674621 320930 C1C2=CC(=C(C=C2[C@@H]3[C@]1(COC4=C3C=CC(=C4O)O)O)O)O 1 1.691 0 6 0 3.34641288535936 320919 CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C(=C1)Cl)O 1 2.646 1 4 -2.62158126981434 320833 CN1C(=CN=C1C2=CC=CC=C2)CO 1 1.321 2 1 0 0.698466559820285 320518 C1OC2=C(O1)C=C(C(=C2)C(=O)NC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)Br 1 4.563 1 5 -8.69225045670276 320363 COC(=O)C1=C2CCCN2C(=C1C(=O)OC)C3=CC(=C(C=C3)Cl)Cl 1 4.379 1 4 -2.41860904736366 320362 CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C 1 3.348 0 3 -7.96535704107131 320267 C1=CC=NC(=C1)C2=NNN=N2 1 0.577 5 0 0 0.323264976085534 320173 COC1CC(=NO)C2C(O1)COC(O2)C3=CC=CC=C3 1 1.206 1 5 0 0.693301947954062 320165 C1=CC(=CC=C1N)N2C=CN=C2 1 0.753 3 0 0 1.992687292221 320085 CC1=CC(=C(C=C1)N)C(C(F)(F)F)(C(F)(F)F)O 1 2.864 1 1 0.830506755345804 320023 CC(=O)C1=C(N(C(=O)N(C1=O)C)C)N 1 -1.129 3 3 0 -10.3539903276593 319954 C1=CC2=C(C=C1F)SC(=N2)N 1 1.914 2 0 0 4.88340488498726 319826 CC(C(=O)NN=C(C1=CC=CC=C1)C2=CC=CC=C2)Cl 1 3.68 2 1 -6.74265404183931 319814 CN1C(=CC(=O)N(C1=O)C)NCC2=CC=CC=C2 1 1.195 3 2 0 -9.10183477433919 319755 CC1=NC(=CN1CCC#N)[N+](=O)[O-] 1 0.596 4 2 0 -6.10860423275719 319734 C1=CC=C(C=C1)C2=NC3=NN=NN3N=C2 1 0.715 6 0 0 -4.59002769697639 319576 C1CCC(CC1)NC2=CC(=O)CCC2 1 2.249 1 1 -9.29343192502157 319575 C1CC(=CC(=O)C1)NCC2=CC=CC=C2 1 1.974 1 1 0 -8.22730318309445 319545 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)C(=O)O 1 2.502 2 4 -3.5409505746381 319544 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CN=CC=C2 1 1.721 3 2 0 -0.653980098230088 319496 CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 5.086 1 1 -3.31030820193203 319444 CCOC(=O)C(=O)NC1=CC=CC=C1C#N 1 1.179 2 3 0 -6.29289790704701 319427 CCOC1=CC=CC2=C1OC(=N)C(=C2)C(=O)N 1 1.249 2 3 0 -6.66703851316395 319370 CC1=CC=C(C=C1)S(=O)(=O)N=C(SC)SC 1 3.032 1 2 -4.38520195067817 319319 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)N)C(=O)O 1 -5.4e-002 2 5 0 -16.8269863183294 319314 CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)OC 1 2.048 3 5 0 -22.3292833974772 319257 CC(C)NC1=CC=C(C=C1)NC(=O)C(=C)C 1 2.629 2 1 -11.0972559452387 319089 CN1C=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N=C4C=CN(C5=C4C=C(C=C5)[N+](=O)[O-])C)C=C1 1 3.975 6 3 0 -3.10561997637859 319068 CC1=CC(=O)N2C(=CSC2=N1)C3=CC=C(C=C3)Cl 1 2.808 2 1 -3.57740356759707 318911 C1COCCN1C(=O)OC2=CC=CC=C2 1 1.487 1 3 0 -5.63027526563521 340349 CC(=O)C1=C(N2CCCC3=CC=CC(=C32)C1=O)O 1 2.227 1 3 -2.51097798927243 340229 C1=CN2C(=C(C=N2)C#N)N1C3C(C(C(O3)CO)O)O 1 -1.347 4 4 0 -12.5855210109588 340151 C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=CC=C4)C(=O)C1 1 2.8 0 3 -12.0570048636322 340139 CC1=CC(=O)C=C(N1CCC2=CC=CC=C2)O 1 2.743 1 2 0.100039919091119 340129 CC1CCC2(C(C1(C)CCC(C)CC(=O)O)CC(=O)C=C2C)C 1 4.496 0 3 -10.2745597823335 340061 C1C(OC(=O)N1)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.39 2 5 0 -5.41473619087344 339983 C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N3C=CC=NC3=N2)N=O 1 2.812 5 3 0 -1.34611540211293 340034 CN1CCN(CC1)CC2=C(C(=O)C=C(O2)CO)O 1 -0.85 2 4 0 2.14504583648626 318781 CC1=CC=C(C=C1)S(=O)(=O)NC2CCC(CC2)C(=O)O 1 2.27 1 4 -14.2072791408482 318533 CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)O 1 1.856 1 3 0 5.0865764113269 318529 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 3.78 1 2 -3.79938926591313 318461 C1CS(=O)(=O)CCN1CC2=CC=CC=N2 1 0.384 2 2 0 -3.63147026237962 339743 C#CCSC1=NNC(=N1)C2=CC=CO2 1 3.165 3 1 -0.992980701547361 339735 C1=CC=C(C=C1)C2=CC(=NN2)NC(=O)C3=CC=CC=C3 1 3.407 3 1 -0.816642905317386 339733 C1=CC=C(C=C1)C2=CC(=NN2)NC(=O)C3=CC=CC=C3F 1 3.613 3 1 -1.3342222647685 339701 COC1=NC2=C(C=C1)NC3=NC4=CC=CC=C4N=C3S2 1 3.484 4 1 -5.21890140696102 339661 CC1=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C(O1)C 1 2.32 0 3 -1.07920840734114 339578 C=CCSC1=NNC(=N1)C2=CC=CS2 1 3.148 3 0 -3.49424666465547 339572 CC(C)(C)N1C(=CC(=N1)C2CC2)NC(=O)NC3=CC=C(C=C3)Cl 1 3.933 4 1 -7.06167999957569 339237 CCOC(=O)C1=CC2=C(C=C1)OC3=C(CN2)C=CC=C3OC 1 3.14 1 4 -9.42351540616088 318429 CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=CS2 1 2.806 2 2 -7.58488610045403 318220 C1=CC=C(C=C1)CS(=O)(=O)OC2=CC=CC=C2 1 2.971 0 3 -6.03097857229161 318130 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)C(=O)O 1 2.9 2 2 -0.550932875095905 318119 CC1=NC2=NC(=NN2C(=C1)N3CCN(CC3)C)C4=CC=C(C=C4)Cl 1 3.466 6 0 4.22281121954469 318105 CCOC1=CC=C(C=C1)C=C2CCC3=CC=CC=C3C2=O 1 4.595 0 2 1.60325975341534 318084 CC(=NO)CCC1=CNC2=CC=CC=C21 1 2.412 2 1 -1.7096048316575 318082 CCOC(=O)C1=NNC(=NC1=O)C2=CC=CC=C2 1 1.364 3 3 0 -10.1553421224805 318029 CCOC=NC1=C(C(=NN1C2=CC=CC=C2)CC#N)C#N 1 2.7 5 1 -0.389927696061685 317913 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)O 1 0.674 2 3 0 -9.13737263908821 317843 CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC(=C(C=C54)OC)OC)OCO3 1 3.335 1 4 -2.7754284484762 317578 COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)OC)OC)OC 1 2.877 1 5 -12.6856092821052 317405 COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)OC 1 3.101 1 3 -6.3893422878889 317226 COC1=CC=CC(=C1OC)C2C(CCC(=O)N2)[N+](=O)[O-] 1 1.347 2 5 0 -12.8735782686372 317225 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC=CC3=CC=CC=C32 1 2.288 2 3 -8.61452426128089 317222 COC1=C(C=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-])OC 1 1.347 2 5 0 -13.6439134757354 317139 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(C3=CC=NC=C3)O 1 3.494 1 2 -3.8174457241478 317124 C1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC=CS3)C4=CC=C(C=C4)F 1 6.25 1 0 4.38596799280722 317103 CC1(CC(=CC(=O)C1)NCCCCCCCCNC2=CC(=O)CC(C2)(C)C)C 1 3.984 2 2 -15.862904358271 317101 CC1(CC(=CC(=O)C1)NCCCCNC2=CC(=O)CC(C2)(C)C)C 1 2.159 2 2 -15.8056542407347 317086 COC1=CC(=CC(=C1OC)OC)N2C(=O)CSC2=S 1 2.677 1 4 -5.68136820955412 317081 C1C(=O)N(C(=S)S1)CC2=CN=CC=C2 1 1.583 2 1 0 -7.0532114960576 316988 C1=CC=C2C(=C1)C(=O)C(=CN2)[N+](=O)[O-] 1 0.955 2 3 0 -4.14416689241028 316987 CC1=CC(=O)C2=C(N1)C=CC(=C2)OC 1 1.71 1 2 0 -5.68838505570266 316823 C1CCN(C1)C2=NC=C(C=C2)[N+](=O)[O-] 1 1.116 3 2 0 -0.673537233662703 316724 COC1=CC=C(C=C1)C(=C)C2=CC=C(C=C2)OC 1 3.827 0 2 -1.40142826344218 316274 CCOC(=O)C1=CC(=O)C=C(O1)C(=O)OCC 1 0.67 0 6 0 -4.70619662653484 316235 CC(CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2 1 3.568 1 1 -5.11171590201935 316088 CC(=NNC(=O)C(=O)NN=C(C)C1=CC=CC=C1)C2=CC=CC=C2 1 1.979 4 2 0 -6.60944596400176 315845 CC(=O)NC1=CC=C(C=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 0.613 2 4 0 -6.12035742218779 315810 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.72 2 3 -7.13690127513773 315805 CN(CC1=CC=CO1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 1.795 3 5 0 -7.73153043038792 315800 C1=CC=C(C(=C1)C(=O)NC2=NC=CS2)C(=O)O 1 1.241 2 3 0 -7.91417887568093 315798 C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NNC(=O)C2=CN=CC=C2 1 1.957 4 2 0 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C1=CC=C(C=C1)CNC2=CC(=O)NC(=O)N2 1 0.784 3 2 0 -9.25618093978537 308647 CC1=C(C(=CC=C1)NC2=CC(=O)NC(=O)N2)C 1 2.027 3 2 -5.05233723945811 308644 CC1=CC(=CC=C1)NC2=CC(=O)NC(=O)N2 1 1.541 3 2 0 -5.18244002502142 308641 C1CCC(CC1)NC2=CC(=O)NC(=O)N2 1 1.058 3 2 0 -10.3475614172721 308391 C1=CC2=C(C(=C1)Cl)N=C(S2)OC3=CC(=C(C=C3)Cl)Cl 1 6.008 1 1 3.69905814467288 308279 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)C 1 2.844 2 2 -4.0485189928105 308136 CC1=CC(=O)C2=C(N1)C=CC(=C2)NC(=O)C 1 0.847 2 2 0 -11.5819214140499 308071 CCOC(=O)CC1=NC2=CC=CC=C2N1 1 1.991 2 2 0 -5.48937272049684 308065 C1=COC(=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.338 1 2 -1.5186982990089 308057 C1=CSC(=C1)C2(C(=O)NC(=O)N2)C3=CC=CS3 1 2.011 2 2 -9.01734168168332 308043 COC1=CC=C(C=C1)CC(=S)N2CCOCC2 1 2.373 1 2 -3.7894772933257 307963 CC(C)(C)N1CC(C1)OC(=O)N 1 0.728 2 2 0 -4.70276421979727 307728 CC1=C(C(=CC=C1)C)NC(=O)NCC2=CC=CO2 1 2.684 2 2 -8.50281915962944 307727 CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.2 3 3 -9.60527015887012 307717 CCCCOC1=CC=C(C=C1)OC(=O)NC2=C(C=CC(=C2)Cl)OC 1 5.13 1 4 -4.00818697505605 307712 CSC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C(=O)N 1 2.066 3 2 -4.45468821075172 307686 CSC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O 1 1.754 3 4 0 -9.97076243722523 307542 CC1=C(C=C(C=C1)Cl)NC(=O)NCC2=CN=CC=C2 1 2.529 3 1 -7.7184734431004 307519 C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.136 3 3 -9.94996590098039 307505 C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.892 3 3 0 -5.33255691106975 307455 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)O 1 1.128 1 4 0 -10.5029681877465 307426 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)Cl 1 3.246 1 3 -4.79364133055898 307425 C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC=C(C=C3)Cl 1 4.187 1 1 -0.151696991841903 307406 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O 1 2.782 1 5 -6.10038778573227 307350 CC1=CC(=C(C=C1)CNC(=O)NC2=CC=CC=C2)C 1 3.502 2 1 -4.20685677308144 307341 C1CCC(C(C1)C(=O)NC2=CC=CC3=CC=CC=C32)C(=O)O 1 3.169 1 3 -4.03984093851378 307336 CC1=CC=C(C=C1)CNC(=O)C2CCCCC2C(=O)O 1 2.754 1 3 -7.64224022017658 307332 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC2=CC=CC=C2 1 2.527 2 4 -11.2304661878342 307235 COC1=CC=CC=C1C(=O)NC2=CC=CC=C2SC 1 3.14 1 2 -11.5218358307786 307230 CSC1=CC=CC=C1NC(=O)C2=CC=CS2 1 3.109 1 1 -10.3124603280923 307228 CSC1=CC=CC=C1NC(=O)C2=CC=CC=C2 1 3.156 1 1 -10.5511770417442 307181 CN(C1=CC=CC=C1)C(=O)C2=CC=NC=C2 1 1.67 2 1 0 -4.48223318818505 307167 CC(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C 1 4.101 3 1 -1.93685710249786 307157 CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)N(C)C 1 3.75 3 0 3.67991759530492 307143 C1=CC(=CC(=C1)N)C=CC2=CC=NC=C2 1 1.919 2 0 0 4.55634042546683 307136 C1=CC(=CC=C1C=CC2=CC=NC=C2)[N+](=O)[O-] 1 2.56 2 2 0.25704490729915 307075 CC(C)(C)NC(=O)NCC1=CC=CO1 1 1.066 2 2 0 -12.5948750926357 307061 COC(=O)NN=CC1=CN=CC=C1 1 0.511 3 2 0 -5.86477824011112 307028 C1CCC(CC1)NC(=O)NC2=NC=CS2 1 1.801 3 1 0 -8.59573566856261 307009 CCC(=O)NC1=CC=CC2=CC=CC=C21 1 2.525 1 1 -4.67251520719288 306966 CCOC(=O)C1=CC=C(C=C1)NC(=O)OC2=C(C=C(C(=C2)C)Cl)C(C)C 1 5.719 1 4 0.2234532170958 306924 C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.228 3 3 0 -8.12987624159122 306911 C1=CC(=CC=C1NC(=O)CCC(=O)O)F 1 1.001 1 3 0 -8.61190180142905 306883 CC1=CC=C(C=C1)C=NNC(=O)C2=CC=NC=C2 1 2.018 3 1 -5.53422609258488 306852 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC3=CC=CC=C32 1 2.643 2 2 -5.03718730479354 306836 C1=CC(=CC(=C1)O)NC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl 1 4.201 1 3 -2.7212854506568 306831 C1=CC(=CC(=C1)F)NC(=O)C2=CC=CO2 1 2.215 1 2 -1.44517555311665 306826 C1=CC(=CC=C1S(=O)(=O)NC2=NC=CS2)Cl 1 1.979 2 2 0 -3.26030050366057 306804 CC(=O)N1C(OC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC(=O)C 1 2.381 1 5 -5.55314933350515 306753 CN1CCN(CC1)C(=O)C2CCCCC2C(=O)O 1 -2.187 2 3 0 -3.63606459173483 306703 CCCCCCNC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-] 1 4.154 3 4 0 -3.31822608754627 306695 COC1=CC=C(C=C1)C=NNC(=O)CC(=O)NN=CC2=CC=C(C=C2)OC 1 2.02 4 4 0 -5.80542172414582 306691 C1CCC(CC1)NC(=O)SC2=CC=C(C=C2)Cl 1 4.674 1 1 0.98733978146298 306674 CC(C)(C)NC(=O)NCCC1=CC=CC=C1 1 2.205 2 1 -12.3950977287605 306664 CN(CC1=CC=CC=C1)C(=O)NC2CCCCC2 1 3.017 2 1 -4.38751502166752 306655 CN(C1CCCCC1)C(=O)C2=CC=CC=C2Cl 1 3.766 1 1 -5.31516497674504 306644 COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)OC)OC)OC 1 3.333 2 6 0 -9.34932684203029 306636 C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)NC3=CC=CC=C3Cl 1 5.353 1 2 1.3581741266409 306591 COC(=O)NN=CC1=CC=CC=C1Cl 1 2.326 2 2 -4.12064194777807 306590 CC1=CC(=C(C(=C1)[N+](=O)[O-])NC2CCCCC2)[N+](=O)[O-] 1 3.772 3 4 0 -2.42563834668862 306583 CC1=CC(=C(C(=C1)C)NC(=O)NC2CCCCC2)C 1 4.263 2 1 -7.34927677129022 306548 C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.188 4 6 0 -8.75774512266006 306544 CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)C(=O)N(C)CC3=CC=CC=C3 1 3.824 2 2 -6.24256600966271 306529 COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.492 2 4 -7.8878707759879 306464 C1=CC=C(C(=C1)NC(=O)NCC2=CC=NC=C2)Cl 1 2.043 3 1 -6.14362642491598 306458 CC1=NC(=CC=C1)NC(=O)NC2=CC=CC=C2 1 2.194 3 1 -2.15392658685683 306456 C1=CC=C(C=C1)NC(=O)NCC2=CC=NC=C2 1 1.379 3 1 0 -5.17370600978643 306455 CN(CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2 1 2.735 2 1 -2.99710647753754 306328 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)F 1 2.932 2 3 -5.85097585245814 306194 CC(=O)N1C(OC(=O)C2=CC=CC=C21)C3=CC=CC=C3OC(=O)C 1 2.381 1 5 -6.25870402749482 306235 C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl 1 5.002 2 4 -7.12218842125323 306227 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C(F)(F)F 1 2.952 1 2 1.12963137087763 305880 C1CCN(CC1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 3.464 1 1 -4.11576225931185 305814 CCOC(=O)C1=CC=C(C=C1)NCC#C 1 3.035 1 2 -9.22512484098492 305765 CC1=CC(=CC=C1)OP(=O)(N)OC2=CC=CC(=C2)C 1 3.48 1 3 1.81104971082004 305669 C1=CC2=NSN=C2C(=C1)NC(=O)NC3=CC=C(C=C3)Cl 1 3.315 4 1 -2.09038398913711 305467 CC(C)(C)S(=O)(=O)C1=NC2=CC=CC=C2S1 1 2.912 1 2 0.337277629045074 305330 C1CC(OC1)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.129 1 3 -6.7181019541158 305322 C1CC(OC1)CN2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O 1 2.023 2 5 0 -8.87183883647428 305310 C1CC(OC1)CN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-] 1 2.023 2 5 0 -7.37444840336554 305309 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC4=CC=CO4 1 2.536 1 3 -0.35001090741692 305244 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CC4=CN=CC=C4)[N+](=O)[O-] 1 2.098 3 4 0 -1.60060061100941 305118 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC3=CC=CC=C3N=C2 1 3.031 4 1 -4.05801935398102 305114 CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl 1 5.846 1 1 -2.9627555844928 304923 CC(C)(C)NC(=O)NC1(CCCCC1)C#C 1 3.207 2 1 -10.106257395093 304907 CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])N)C#N 1 4.093 4 5 0 -14.3841239222851 304906 C1OC2=C(O1)C=C(C=C2)C(=O)CC3(C4=C(C=CC(=C4)Br)NC3=O)O 1 2.15 1 5 -10.3023011367766 304902 CC(C)(C)NC(=O)NCC1CCCC1NC(=O)NC(C)(C)C 1 1.461 4 2 0 -11.0106138462405 304868 CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)C 1 3.836 0 3 -3.39271747512965 304852 CC1CC(CC(C1)(C)C)NC(=O)CC#N 1 2.001 2 1 -13.1067633174377 304849 C1C(C(=O)N(C1=O)C2=CC3=C(C=C2)OCO3)SC4=CC=CC=C4N 1 2.089 2 4 -2.03168084148889e-002 304835 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)N3C(=O)C=CC3=O 1 3.457 1 3 3.27004325835613 304798 C1CCC(C(=O)CC1)C2(C3=C(C=CC(=C3)Br)NC2=O)O 1 2.378 1 3 -5.1984519912174 304768 C1=CC=C2C(=C1)NC(=N2)C(C(C(C(C3=NC4=CC=CC=C4N3)O)O)O)O 1 0.936 4 4 0 0.659933882941354 304734 C1=CC(=CN=C1)NC2=C3C=C(C=CC3=NC2=O)Br 1 1.51 3 1 0 -2.85695187088219 304653 COC1=C(C(=C2CCC3=C(C2=C1)ON=C3)OC)OC 1 2.645 1 4 -2.63341546928137 304622 CCCCN1C=CN=C1C 1 1.512 2 0 0 -2.95461817803475 304457 C1COCCN1C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O 1 2.658 1 3 0.670916276798813 304350 CN(C)S(=O)(=O)NC1=CC=CC=N1 1 -0.28 3 2 0 -1.87761278826903 304273 C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C2=CC=CC=C2 1 2.942 1 4 -9.63030100696892 304250 CC[C@H]1CC2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=C4C=CC(=C5)OC)C(=O)OC 1 4.043 2 3 1.15139768983847 304102 CCCCC(=O)N(CCC)CCC 1 2.904 1 1 -12.6254276708314 304001 COCCN(CCOC)C(=O)NC1=CC=C(C=C1)Cl 1 1.554 2 3 0 -3.95777368839872 303908 COC1=C(C=C(C=C1)CC(=O)N2CCC3=CC(=C(C=C3C2O)OC)OC)OC 1 2.531 1 6 0 -14.9468408203857 303906 CN1CCC2=CC(=C(C=C2C1=O)OC)OC 1 1.285 1 3 0 -6.30023835153792 303892 C1=CC=C(C=C1)P(=O)(CC(=O)O)C2=CC=CC=C2 1 2.882 0 3 -5.98399811016777 303834 CCOC(=O)C1=C(N(C(=N1)SC)C)C(=O)OCC 1 2.134 2 4 -6.23587125891229 303580 C1CC(=O)N(C1=O)CCCCCC(=O)O 1 0.376 1 4 0 -13.5353451764899 303572 C1COCCN1C(C#N)C2=CN=CC=C2 1 0.306 3 1 0 -6.82722576743626 303515 CCCCSC1=NC2=CC=CC=C2N1 1 3.757 2 0 -3.15176130196895 303451 CC1(C(=C)N(C(=O)O1)C2=CC=CC=C2)C 1 2.449 1 2 -3.02523697031448 303439 CCNC(=O)NC1=NC2=CC=CC=C2S1 1 1.92 3 1 0 -3.01194049147564 303427 C1=CC=C(C=C1)P(=O)(CP(=O)(C2=CC=CC=C2)O)C3=CC=CC=C3 1 4.388 0 3 -3.88496251178682 303407 C1CC2C3C(C1O2)C(=O)N(C3=O)CCO 1 -1.098 1 4 0 -3.57137702804978 303390 COC1=CC=C(C=C1)C(=O)NC2=CC=CC3=CC=CC=C32 1 3.506 1 2 -5.34364355988211 303365 CSC1=CC=CC(=C1)NC(=O)NC2=CC=C(C=C2)Cl 1 3.729 2 1 1.51344840588628 303353 C1=CC=C2C=C(C=CC2=C1)OC(=O)NC3=CC=CC=C3Cl 1 4.743 1 2 0.565896374499605 303321 COC1=CC=CC=C1NC(=O)OC2=CC=CC(=C2)OC(=O)C3=CC=CC=C3 1 4.585 1 5 -10.8782412580462 303308 CC1=CC=CC=C1NC(=O)OC2=CC=CC(=C2)OC(=O)C3=CC=CC=C3 1 5.088 1 4 -9.98226223511823 303233 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC(=CC=C2)Cl 1 3.065 3 4 0 -5.22022555740453 303223 CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)OC)OC 1 2.976 2 3 -10.1927679240634 303194 C1=CC=C(C=C1)C(CC2=CC=NC=C2)(C3=CC=CC=C3)O 1 3.447 1 1 0.971607114962942 303144 CCCCC(=O)N1CCCC(C1)C 1 2.395 1 1 -9.75188701001183 302991 CCCCSC(=O)NC1=CC=CC=C1 1 3.48 1 1 -3.59823295398169 302926 CCOC(=O)CN1C2=CC=CC=C2N(C1=O)CC(=O)OCC 1 1.216 2 5 0 -7.8890819764573 302889 C1C(=O)N(C(=S)S1)C2=CC=CC(=C2)C(=O)O 1 2.356 1 3 -6.48340186228345 302873 C1=CC(=C(C=C1F)Br)OCC(=O)O 1 2.248 0 3 -4.14946449334556 302853 C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.061 2 3 -6.24489758388055 302780 C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)Br)Cl 1 3.935 2 1 -2.93721889512267 302768 CCOC(=O)COC1=C(C=C(C(=C1)N)Cl)Cl 1 2.451 1 3 -6.54133284869205 302654 C1=CC(=CC(=C1)Br)NCC(=O)NN 1 0.749 3 1 0 -3.55432564983986 302653 C1=CC=C(C(=C1)NCC(=O)NN)Cl 1 0.665 3 1 0 -4.58306700412066 302652 C1=CC(=CC(=C1)Cl)NCC(=O)NN 1 0.665 3 1 0 -2.26417293161975 302501 C1=CC=C(C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[As](=O)(O)O 1 2.886 1 5 2.12638710732907 302495 CCOC(=O)C1=C(N=CC=C1)NC(=O)C2=CC=CC=C2 1 2.207 2 3 -9.67798128750321 302312 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C 1 3.732 3 3 -27.4078502881692 302307 C1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=NC=C4)C(=O)C1 1 2.229 3 1 -23.8798150254232 302304 C1CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3 1 3.569 2 0 0.787636519156578 302174 C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2NC(=N4)C5=CC=CS5 1 5.04 2 0 6.24251393986125 302104 CC(C)(C(=O)O)OC1=CC=CC2=CC=CC=C21 1 2.999 0 3 -0.717201559133615 302041 CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCN4CCOCC4 1 2.799 5 1 -10.0444949319592 301935 CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7)O4)OC)OC 1 6.445 2 5 0 -6.42540873182787 301926 CC1=C(CC2=C(C=CC(=C2C1)OC(=O)C)OC(=O)C)C 1 3.326 0 4 -0.340280294810381 301798 CC1=C(C=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)O 1 2.86 0 5 4.19696323506163 301742 CC1=CC2=C(C3=CC(=C(C=C3O2)OC)OC)C(=O)O1 1 2.449 0 5 -6.64700834806006 301541 C1C(C1C(=O)O)C2=CC=C(C=C2)Br 1 2.585 0 2 -3.08043313235377 301516 C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C#N 1 3.58 1 1 -1.29249014438291 301423 C1COC(=O)C1=COCCCOC=C2CCOC2=O 1 0.136 0 6 0 -2.47039103048185 301212 C1=CC=C(C=C1)C(=CC2=CC=CC=N2)C3=CC=CC=C3 1 4.572 1 0 -0.420291438640534 301207 CC1=CC(=NC2=C(C=CC(=C12)OC)OC)C 1 2.752 1 2 0.280896341954781 301065 C1=CC=C2C(=C1)C=CC(=N2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-] 1 3.771 2 4 -8.10210664129636 300952 CN(C)C=NC1=CC(=C(C=C1)Cl)Cl 1 2.666 2 0 6.17412628689521 300949 C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl 1 5.272 1 1 -3.28096970438624 300921 CC1=C(C(=C(C(=C1C)C)CN2CCCC2)C)C 1 4.795 1 0 3.8259778579554 300920 CC1CCN(CC1)C(=O)CC#N 1 0.808 2 1 0 -12.1006747772543 300901 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl)OC 1 3.574 1 3 -8.79446212235167 300899 CC1(CC(=C(C(=O)C1)CC2=C(CC(CC2=O)(C)C)N)N)C 1 0.899 2 2 0 -7.68381330905202 300691 COC1=CC=CC=C1OCCOCCOC2=CC=CC=C2Cl 1 3.962 0 4 -4.37949328923709 300678 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC=C4 1 1.687 1 2 0 1.57600644920253 300664 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.758 2 4 0 -15.1255539876733 300631 C1=CC(=CC=C1N)N=C(C(=NC2=CC=C(C=C2)N)N)N 1 0.496 6 0 0 2.81019972767136 300557 C1=CC=C(C=C1)C2=C(N=C(C(=O)N2)C(=O)N)C3=CC=CC=C3 1 1.376 3 2 0 -5.67473340675286 300571 CC1=CC=C(S1)C2NC3=CC=CC=C3C(=O)N2 1 2.552 2 1 -1.1894102320995 300570 C1=CC=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2)Cl 1 3.113 2 1 -3.95044241510385 300528 COC1=CC=C(C=C1)C=CC(=O)OC2=CC(=CC(=C2)O)O 1 3.229 0 5 -0.850306310235047 300385 C1=CC=C(C=C1)C2=NNC3=CC=CC=C32 1 3.42 2 0 1.84454432143512 300368 CC(=NN=C(C)C1=CC=CS1)C2=CC=CS2 1 3.362 2 0 -2.53366064511836 300361 C1=CSC(=C1)C=NN=CC2=CC=CS2 1 3.401 2 0 -1.21968575723843 300351 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=CS2 1 2.825 2 2 -2.01328634711515 300184 C1=CC=C2C(=C1)C(=CC(=O)C=C3C4=CC=CC=C4NC3=O)C(=O)N2 1 1.99 2 3 0 -3.28667043076726 300113 CC(C1=NC2=C(N1)C=C(C=C2)OC)O 1 1.402 2 2 0 1.10996464719924 300071 CCOC(=O)C(=CNC1=C(C=C(C=C1)OC)[N+](=O)[O-])C(=O)OCC 1 1.885 2 7 0 -3.67870178915748 299857 COC(=O)C1=CNC=C(C1C2=CC=CC=C2Cl)C(=O)OC 1 1.508 1 4 0 -9.13166432568625 299693 CC(=O)NC1=CC2=C(CCCC2)C=C1 1 2.463 1 1 -7.68554164703952 299417 COC1=C(C=C(C=C1)NC(=O)N2CCOCC2)OC 1 0.807 2 4 0 -12.3009991654211 299354 CC(C)C(C(=O)O)NC(=O)C1=CN=CC=C1 1 0.696 2 3 0 -18.2809657853901 299335 COC1=C(C=C(C=C1)CCNC(=O)CC2=CC3=C(C=C2)OCO3)OC 1 2.712 1 5 -14.3661294347812 299104 COC1=CC=CC(=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 2.887 2 5 0 -3.06533140659536 298930 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NC=C(S2)[N+](=O)[O-] 1 1.525 4 5 0 -5.12464767765119 298620 C1=CC=C(C=C1)N=NC2=C3C=CC=NC3=C(C=C2)N 1 3.639 4 0 7.99105022551607 298498 C1=C(C(=NN=C1Cl)Cl)N 1 1.212 3 0 0 0.492100908479362 298474 CCOCC1=C(C(=O)NC(=C1)C)C#N 1 0.141 2 2 0 -11.57769125279 298471 C1=CC(=CN=C1)C(=O)C2=CN=CC=C2 1 0.932 2 1 0 -3.53195156204213 298466 C1=CC2=C(C(=C1)C(=O)CN)[N+](=CC=C2)[O-] 1 -5.e-002 2 2 0 -3.40258826045211 298354 CC(C)(C)OC(=O)NN=CC1=CC=C(S1)[N+](=O)[O-] 1 2.565 3 4 0 -3.61120230372568 298316 COC1C(C(C(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 1 4.536 0 8 0 -19.7648172757483 298206 CC(=O)NC1=C(C(=C(C(=C1F)F)F)F)F 1 1.977 1 1 0 -3.75116430116188 297964 COC1=C(C=CC(=C1)CC(=O)O)OCC2=CC=CC=C2 1 3.045 0 4 -8.56524432563319 297875 C1=CC=C(C=C1)COC(=O)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2 1 3.077 1 6 0 -16.0785824121695 297813 C1CC(N(C1)C(=O)CNC(=O)CNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 1 1.813 3 6 0 -17.7726479722279 297427 CC(C1=CC=CC=C1)N2C=NC=C2C(=O)O 1 1.805 2 2 0 -4.35724349577538 297354 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CO 1 1.383 1 3 0 -6.79220610204918 297153 COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3 1 4.913 0 3 -2.18829475462956 297061 C1=CC=C(C=C1)C2=CNC(=O)C(=C2)C#N 1 0.993 2 1 0 -4.86440500054545 296865 C1=CC=C(C=C1)NC2=CC=NC(=O)N2 1 1.759 3 1 0 -3.27785109836031 296800 C1CC(=O)C2=CC=CC=C2C1C3=CC=CC=C3 1 3.635 0 1 -3.10451863790179 296680 CC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=CC=C3 1 4.527 1 1 7.59502848725611 296661 C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C(=O)O)O)O 1 1.878 0 4 0 -1.95678967261044 296660 C1=CC=C(C=C1)C2C(N2)C(=O)C3=CC=CC=C3 1 2.606 1 1 1.07484446763305 296597 CCN(CC)C(=O)CN1C=CC(=NC1=O)NC(=O)C 1 -0.798 4 3 0 -15.5451931135074 296409 C1CC2=NC3=C(N2C1)N=C(C(=N3)Cl)Cl 1 1.908 4 0 0 -2.34263832466518 296157 CCOC1=CC=C(C=C1)N2CN(C(=S)SC2)C3=CC=C(C=C3)OCC 1 6.135 2 2 -5.24173988105991 296188 CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OC 1 1.064 2 3 0 -30.4541566769754 296143 COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)OC 1 2.042 2 5 0 -17.7538983390974 296099 CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)O 1 0.42 1 5 0 -10.2222620773142 296093 CC(=O)CC(=O)NC1=CC2=CC=CC=C2C=C1 1 1.769 1 2 0 -2.90230891690136 296041 CCOC(=O)C(=CNC1=CC=CC(=N1)N)C(=O)OCC 1 1.188 3 4 0 -1.11098070449255 296003 C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=CO3 1 2.536 1 3 -4.07874225547794 295999 C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C2=C(C=C(C=C2)N)O 1 2.167 2 5 0 -1.45542127652455 295994 C1CC2=C(C(=CC=C2)NC(=O)C3=CC=CO3)N(C1)C(=O)C4=CC=CO4 1 2.926 2 4 -6.93095478803458 295991 C1CC2=C3C(=CC=C2)N=C(N3C1)CSC4=CC=C(C=C4)N 1 3.654 3 0 2.8780780391364 295871 C1=CC=C(C=C1)COC2=CC=[N+](C=C2)[O-] 1 1.402 1 2 0 -2.729632836474 295848 C=CCSC1=NC=CC(=O)N1 1 1.071 2 1 0 -9.99263688393832 295703 CCOC(=O)C1=CN=C(N=C1SC2=CC=CC=C2)SC 1 3.975 2 2 -3.77276669789327 295591 C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl)SC3=CC=CC=C3N 1 3.65 2 2 1.7526424981728 295583 CC(C)N1CN(C(=S)SC1)CC2=CC=CC=C2 1 4.436 2 0 -5.20876890683942 295480 CSCCC(C(=O)O)NC(=O)C1=CC=CC=C1 1 1.331 1 3 0 -19.7007153173183 295450 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(COC3=CC=C(C=C3)Cl)O 1 2.351 1 5 1.02756781782188 295366 C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)Cl 1 3.187 2 1 -0.130462483912277 295350 CCCNC(=O)NC1=C(C=C(C=C1)C)C 1 2.791 2 1 -11.9078791503148 295346 CN(C)C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)Cl 1 3.349 3 1 -2.32344725584249 295326 C1=CC=C(C(=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)F 1 3.984 1 2 -4.21218301104595 295303 C1=CC=C(C(=C1)C(=O)N)NC(=O)C2=CC=CC=C2Cl 1 2.281 2 2 -6.9620487765296 295298 C1=CC=C(C(=C1)C(=O)N)NC(=O)COC2=CC=C(C=C2)Cl 1 2.116 2 3 -5.90026229857945 295292 CCOC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)Cl 1 3.519 2 2 -5.80618891788265 295260 COC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2OC 1 2.49 2 3 -7.07913021982418 295256 CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=CC=C2 1 2.262 2 2 -5.45029566373884 295253 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3 1 4.073 3 1 -2.11349075657852 295204 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3F 1 4.349 1 1 -10.8439555883473 295052 CCCCNC(=O)NC1=CC=CC=C1CC 1 3.217 2 1 -11.753421722464 295006 CC1=CC=C(C=C1)NC(=O)NC2=CC=CC3=CC=CC=C32 1 3.917 2 1 -4.27956986714048 294996 C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)C(=O)NC3=CC=CC=C3F)F 1 3.81 2 2 -7.40005592857492 294995 C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)F 1 3.81 2 2 -5.42624332434865 294985 CCN(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)Cl 1 3.742 2 1 -1.8335734641526 294983 C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)Cl)C(=O)O 1 2.925 1 3 -1.87941933625595 294966 C1CCC(CC1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.746 2 1 -2.14355096482938 294932 CC(C)C(C(=O)OC)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1 1 2.178 2 5 0 -19.8308304120913 294920 CC(C(=O)NCC(=O)OC)NC(=O)OCC1=CC=CC=C1 1 0.851 2 5 0 -15.5047087012907 294891 C1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O 1 2.853 2 3 -14.1715031681994 294867 CC1=NC2=C(C=C1)C(=CC=C2)[N+](=O)[O-] 1 2.193 2 2 0.105549032518306 294856 C1=CC(=CN=C1)CNC2=NC=NN2 1 -0.1 5 0 0 -5.53106608959563 294848 C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.517 5 9 0 -0.335107908946033 294846 CC1=CC2=C(C=C1C)N=C(N2)CO 1 1.906 2 1 0 1.60660911159234 294775 CN1C2=NC(=CN=C2C(=N1)NC(=O)C(F)(F)F)C3=CC=C(C=C3)Cl 1 3.365 5 1 2.13056852800064 294770 CC(=O)C(=CC1=CC(=C(C=C1)O)OC)C(=O)C 1 1.46 0 4 0 3.02618529185156 294758 C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N 1 2.409 2 4 -6.17009192189866 294715 CC1=CC(=C(C(=C1)S(=O)(=O)N)N)S(=O)(=O)N 1 -1.02 3 4 0 -3.40794336308323 294713 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)O 1 2.498 1 4 -12.2195314033373 294660 C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.035 2 4 -8.42011312429699 294620 CC1=CC2=C(C=C1)N=C(N2)C3=CC=CC=C3N 1 3.01 3 0 4.49932961818738 294609 CC1=C2C(=C(C3=C1C=CN=C3)C)C4=CC=CC=C4N2CCOC(=O)C5=CC=CC=C5 1 5.763 2 2 -5.15293314358973 294566 C1=CC=C2C(=C1)C=CC(=C2CC(=O)O)O 1 2.16 0 3 3.00549606164041 294543 CC(C)C1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.864 2 0 2.06927425053089 294461 C1=CN=CC=C1N2C3=C(C=NC=C3)N=N2 1 0.916 5 0 0 -1.83441478405399 294256 C1CCCC(CCC1)NC2=NCCO2 1 2.866 2 1 -3.24674923710836 294198 CC1=C(C(=CC=C1)C)NC(=O)NC2=CC3=C(C=C2)OCO3 1 3.263 2 3 -6.89144369029209 294062 CC1=CC2=C(C=C1)NC(C=C2C)(C)C 1 3.375 1 0 -2.11877041773626 293820 C1=CC(=CN=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.193 3 4 0 -7.05681987848194 293815 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=CN=CC=C2 1 1.193 3 4 0 -8.7838424596694 293807 C1=CC(=CN=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 2.628 2 2 -3.55407600517806 293788 C1=CC=C(C=C1)CC(=O)NC2=CN=CC=C2 1 1.498 2 1 0 -6.10974082066003 293745 CCCCNC(=O)C(=O)C1=CC=CC=C1NC(=O)C 1 1.372 2 3 0 -17.6795858288056 293641 C1CC2=C(CCC(=O)N2)C(=O)C1 1 0.266 1 2 0 -12.6865845603907 293491 CSC1=CC=CC=C1NC(=O)NCCCl 1 2.153 2 1 -13.5057906153123 293372 C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)NC3CCCC3 1 2.958 3 2 -12.46316472237 293365 CCOC(=O)C1(C=C(C(=O)N1C2=CC=C(C=C2)OC)NC3=CC=C(C=C3)OC)C 1 3.083 2 5 0 -2.45196858831964 293295 CCOC(=O)C1=NC(=O)C2=CC=CC=C2N1 1 1.179 2 3 0 -7.44869815604914 293175 CC1CCC2=C(C1)C3=C(C=C(C=C3O)C)OC2(C)C 1 4.546 0 2 4.0761777267458 293120 C1CCC2=C3CCCCC3C(C(C2C1)C(=O)O)C(=O)O 1 3.139 0 4 -6.22147586565054 293095 CCOC(=O)C(=CNC1=NC=CC(=C1)C)C(=O)OCC 1 1.409 2 4 0 -0.737724850807117 293093 C1=C(C(=O)NC=C1I)I 1 0.241 1 1 0 -2.70515656989039 293018 C1CSC(=N1)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.217 2 2 -4.26966256748242 292955 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)O 1 2.626 1 2 -4.1414834622077 292946 CC1=CC(=O)C2=C(N1)C3=CC=CC=C3C=C2 1 2.635 1 1 -1.19313547872602 292900 CC1=CC=C(C=C1)CNC2=CN=CC=C2 1 2.557 2 0 -0.34549265128709 292896 C1C(C(=O)N(C1=O)C2=CC=CC=C2Cl)SC3=CC=CC=C3N 1 2.985 2 2 9.0051696252279e-002 292895 COC1=CC=CC=C1N2C(=O)CSC2=S 1 2.71 1 2 -3.9007699015598 292872 CC1=CC=CC=C1C2=NC3=C(C=CC(=C3)Cl)C(=O)O2 1 4.291 1 2 -2.35762021971356 292843 CC1=CSC(=S)N1C2=CC=C(C=C2)OC 1 3.595 1 1 -3.53197352841427 292812 CC(C)C1=CC=C(C=C1)NC(=O)NC2CCCCC2 1 3.998 2 1 -6.22590385780248 292811 C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)F 1 3.01 2 1 -5.79748652898886 292807 CC(C)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC 1 3.7 2 2 -2.26995248185882 292804 COC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2F 1 2.712 2 2 -4.971039468192 292798 C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=CC=C3C(F)(F)F 1 4.373 2 1 -4.96944443040652 292795 C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.851 1 1 1.98692999247573 292786 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(COC3=CC=C(C=C3)Cl)O 1 2.648 1 4 -2.37884357475902 292785 C1CC(=O)N(C1=O)CC(COC2=CC=CC=C2)O 1 0.535 1 4 0 -8.80030404289975 292652 CCOC(=O)CCCC1=CNC2=CC=CC=C21 1 3.274 1 2 -11.1809128292422 292612 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 1 3.627 1 2 -5.10640929295752 292582 C1=CC=C(C=C1)SC2=CC=CC(=C2)C3=NC4=C(C=C(C=C4)S(=O)(=O)F)C(=C3)Cl 1 6.368 1 2 2.07713793417823 292579 CCN1C(=NC2=C1C=CC(=C2)C(=O)N)C 1 1.163 3 1 0 -4.08697980272217 292557 COC1=CC(=CC(=C1OC)OC)C2N(CCN2C3=CC=CC=C3)C4=CC=CC=C4 1 5.355 2 3 -8.49420735886322 292556 CC1=CC(=C(C=C1)C)C2NC3=CC=CC=C3C(=O)N2 1 3.421 2 1 -2.90189221391921 292449 CC(C)(C)OC(=O)N1CCCC1C(=O)NCC(=O)OC 1 0.517 2 5 0 -16.4947577650135 292419 CC1=CC(=C(C=C1)NCC2=CC=CC=C2O)C 1 3.952 1 1 4.2055151717619 292274 CCOC(=O)C(CCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C)(C(=O)OCC)NC(=O)C 1 0.968 2 10 0 -8.55836491410304 292243 CN(C)C1=CC=C(C=C1)C(=C)C2=CC=CC=C2 1 4.022 1 0 -3.80146787746011 292136 COC(=O)C1=CC=C(NC1=O)C(=O)OC 1 -0.423 1 5 0 -7.81198185502519 292106 C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=N3)CC(=O)O 1 1.93 3 3 0 -0.513869089740378 291819 CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=N2)C 1 4.381 3 1 -14.0009109014986 291818 CC(=O)NC1=CC(=CC=C1)SC 1 1.492 1 1 0 -1.66008814660992 291816 C1=CC=C(C=C1)C2=C(C=NN2)C=O 1 1.843 2 1 0 -0.458671805049037 291812 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C 1 1.922 1 5 0 -15.4451198241857 291811 C1COCCN1CC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 1.586 2 2 0 -2.62862227159637 291754 CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)OC)C 1 2.397 1 4 -13.0918399926387 291752 CCOC(=O)C1=C(C(=C(N1)C(=O)O)CCC(=O)OC)C 1 2.173 1 6 0 -14.2379722863439 291621 COC(=O)C1=C(N=C(C(=N1)C(=O)OC)C(=O)OC)C(=O)OC 1 0.664 2 8 0 -4.65919734457973 291456 CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)[N+](=O)[O-] 1 2.567 2 5 0 -9.81631309184903 291414 C1CN(C(=O)N1C2=NN=CS2)[N+](=O)[O-] 1 1.652 5 3 0 -8.34301330057007 291365 C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)NC4=CC=C(C=C4)CCO 1 3.833 1 4 5.83787941351766 291354 C1CCN(CC1)C2=CC=C(C=C2)C=O 1 2.668 1 1 -1.67688405500347 291267 CSC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O 1 4.134 1 2 4.32725277924382 291256 CC1C(C(C(C(C(C(C=C(C2=C3C4=C(C(=C(C(=O)C4=C(C(=C3OCO2)C)O)NC(=O)C(=CC=CC(C1O)(C)O)C)C)OC(=O)C)C)(C)O)O)C)O)C(=O)OC)O 1 -2.3e-002 1 15 0 -10.6219036691384 291128 C1=CC=C2C(=C1)NC3=C(S2)C=NC=C3 1 2.517 2 0 -0.484854919369247 291073 CC(CC1=CC=CC=C1)(C#N)NC2=CC=CC=C2 1 3.721 2 0 -3.43051111317766 291072 C1C(NC2=C(C=C(C=C2)Cl)NC1C3=CC=CC=C3)C#N 1 3.471 3 0 -1.66042707361524 291053 C1=CC=C(C=C1)CCC2=NC3=CC=CC=C3N2 1 3.761 2 0 -0.729627871640259 291032 COC1=CC=C(C=C1)C(C#N)NC2=CC=CC=C2 1 3.071 2 1 -2.44734960487243 290794 C1=CC=C2C(=C1)N=CC(=N2)CC#N 1 1.636 3 0 0 0.180300495998271 290787 C1=CC=C2C(=C1)N=C(S2)C3=CC=CS3 1 3.792 1 0 2.99790742622057 290685 CNC1=C(N=CN1C)[N+](=O)[O-] 1 0.289 4 2 0 -4.92348780144882 290619 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4 1 4.287 2 1 -4.51949302436025 290636 CC1=NN2C=NC3=CC=CC=C3C2=C1 1 2.049 3 0 -1.14216910401824 290557 CC(C)C1=CC(=NC2=NC(=NN12)N)C(C)C 1 2.839 5 0 -1.37852086859964 290537 C1=CC(=CC=C1C=CC2=NC(=C(C(=N2)Cl)C3=CC=C(C=C3)Cl)Cl)Cl 1 6.733 2 0 7.00677209748198 290474 CC(C)(C)NC(=O)NCC1=CN=CC=C1 1 0.733 3 1 0 -12.9642778185024 290471 CC1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)Cl 1 2.326 3 2 -9.67342780879732 290470 CC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C(=O)N 1 2.011 3 2 -6.65980515122154 290230 CC(=O)NC1=C(C2=C(S1)CCCC2)C#N 1 1.999 2 1 0 -17.1520110847102 290232 CC1=C(SC2=NC=NC(=C12)N)C 1 1.536 3 0 0 -1.08485269209017 290236 CC1=C(SC(=C1C#N)N)C 1 1.38 2 0 0 -1.04974241211242 290289 C1C(C(=O)C2=CC=CC=C21)C(=O)C3=CN=CC=C3 1 2.125 1 2 -2.69672917100053 290282 COC1=CC=CC=C1N2C(=O)CC(C2=O)SC3=CC=CC=C3N 1 2.304 2 3 -2.85698732004168 290219 CC1=C(OC2=NC=NC(=C12)N)C 1 0.978 3 1 0 2.29396877588425 290218 C1=CC=C(C=C1)C(=O)CSCC(=O)O 1 1.532 0 3 0 -6.95563795475098 290163 C1=CC=C(C=C1)CC2C(=O)N(C(=O)S2)C3=CC=CC=C3 1 3.867 1 2 -3.82474336293843 290042 CCOC1=NSC(=N1)OCC 1 1.885 2 2 0 -0.587056391614174 290020 CCS(=NS(=O)(=O)C1=CC=C(C=C1)C)C2=CC=CC=C2 1 3.792 1 2 -0.834707617932812 290012 CCOC(=O)C(C1CCS(=O)(=O)C1)C(=O)OCC 1 0.492 0 6 0 -12.3109016574499 289999 CN1C2=CC=CC=C2C=C1C(=O)C3=CC=NC=C3 1 2.874 2 1 0.948381095095993 289982 C1[C@@H]2[C@@H](CC(=O)O2)[C@@H]([C@H]1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)CO 1 2.425 0 5 -1.67424547879535 289926 C1=CC2=C(N=C1)SC=C2Br 1 2.488 1 0 0.787888154582471 289912 C1=CC=C(C=C1)C=CC=[N+](C2=CC=CC=C2)[O-] 1 2.857 1 1 1.88225863436007 289868 COC1=CC(=CC(=N1)OC)C(=O)OC 1 1.58 1 4 0 -5.9425645485976 289783 CC1=NON=C1C2=CC3=C(C=C2)OCO3 1 1.632 2 3 0 0.286757126292853 289748 CC(=O)NC1=CC=C(C=C1)CC#N 1 0.864 2 1 0 -5.09029387758734 289745 COC1=CC(=C2C(=C1)C=CC(=N2)C3=CC=C(C=C3)Cl)NC4CCCCC4O 1 5.311 2 2 3.63541938339102 289701 C#CCCOC(=O)NC1=CC=CC=C1 1 3.107 1 2 -4.40833671734209 289688 CCCN(CCC)C1=CC=C(C=C1)C=CC2=NC3=C(C=C2)C=C(C=C3)OCC 1 6.67 2 1 -1.1149795429918 289658 C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2)O)O)[N+](=O)[O-] 1 2.679 1 5 3.10230379667908 289502 C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)N=CC=C3 1 1.723 2 2 0 0.863153084127117 289468 C1=CC(=CN=C1)C=C(C#N)C2=CC=C(C=C2)Br 1 3.253 2 0 -5.71270300077473 289464 C1=CC=C2C(=C1)C=C(C3=C2C=C(C=C3)Br)C(=O)O 1 4.025 0 2 1.82189477660406 289413 COC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.413 2 5 0 -4.51717483561895 289354 COC1=CC=CC=C1NC(=O)OCC#CCOC(=O)NC2=CC=CC=C2OC 1 3.563 2 6 0 -7.182540118861 289279 C1=CC=C2C(=C1)C=C(N2)C=C[N+](=O)[O-] 1 2.394 2 2 8.8861991969986 289260 CC1(CCSC(=N1)C=CC2=CC=CC=C2)C 1 3.435 1 0 2.7351927677767 289159 C1=CC=C2C(=C1)C(=CC3=C2C=NC=C3)N 1 1.749 2 0 0 1.5740094379075 289100 COC1=C(C=C(C=C1)CCN2C(=O)CSC2=S)OC 1 3.022 1 3 -10.2092699324856 289051 CC1(C(=O)NC(=O)N1)C2=CC=CO2 1 0.265 2 3 0 -5.28658453106044 289037 C1=CC=C2C(=C1)C3=CC(=CC(=C3N=C2NCCO)[N+](=O)[O-])Cl 1 2.819 3 3 2.57529860149074 288885 C1CCN(CC1)CC(=NO)C2=CC=CC=C2 1 2.56 2 1 1.55812710066119 288875 CC(C)(CCC(=S)N1CCOCC1)C2CCCCC2 1 4.433 1 1 -7.8389994095092 288814 C1=CC2=C3C(=C1)C=C(C(=O)C3=CC=C2)Br 1 3.233 0 1 7.37357985071352 288774 CC(C)(C)N1C=C(C=C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 5.274 1 1 -0.258713349813654 288577 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CNC4=CC=CC=C43 1 3.06 2 2 -3.74822732357093 288604 CC1=CC(=N)N(C=C1)C 1 0.383 2 0 0 -1.93010720729767 288584 C1=CC=C(C=C1)C=CC2=NC=CC3=C2NC4=CC=CC=C34 1 4.587 2 0 5.4848818952862 288463 CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C2=CC=CC=C2 1 0.828 0 4 0 -10.2926183068318 288413 COC1=C(C=C(C=C1)CCNC(=O)CC2=CC(=C(C=C2Br)OC)OC)OC 1 3.66 1 5 -13.7025748127454 288411 CC(=O)N1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC 1 1.75 1 4 0 -6.21229906703629 288409 COC1=C(C=C(C=C1)CCNC(=O)CC2=CC=CC=C2)OC 1 2.944 1 3 -13.3894027847831 288336 C1=CC=C2C(=C1)C(=CC3=C2C=NC=C3)C(=O)N 1 1.498 2 1 0 -1.69020126611736 288323 CC1(CC(=CC(=O)C1)NCC2=CC=CC=C2)C 1 2.432 1 1 -14.3688273054108 288321 C1=CC(=CN=C1)C=CC(=O)C=CC2=CN=CC=C2 1 1.858 2 1 0 -0.863667031171724 288286 C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)C4=NC(=NC(=N4)Cl)Cl 1 5.352 4 0 4.18216753353104 288131 COC1=CC(=C(C=C1)NC2=CC(=CC=C2)Cl)C(=O)O 1 3.657 1 3 0.770357755480904 288064 CC(=NO)CC1(C2=CC=CC=C2NC1=O)O 1 2.7e-002 2 3 0 -6.45940634621019 287895 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=C2 1 2.845 3 1 -8.17644220205717 287880 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2=CC=NC=C2 1 1.483 3 4 0 -9.21650547695364 287624 CC1=C(C=CC(=C1)OC)C(=O)CCC(=O)O 1 1.884 0 4 0 -3.88547725265729 287423 CC1=CC(=O)C=CC1(C)C(Cl)Cl 1 2.729 0 1 1.7382384623357 287384 CCC(CO)NC1=NC2=C(C=C(C=C2)Cl)C3=CC=CC=C31 1 3.826 2 1 2.84841118204705 287291 CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C 1 2.161 0 4 -5.17059299045326 287215 C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=NC=C3)N 1 2.267 4 1 -2.75399357101942 287146 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC(=CC=C3)F 1 1.821 4 2 0 -11.2166449738978 287145 CC1=CC(=C(C=C1)C)N2C(=CSC2=NC(=O)C3=CC=CC=C3F)C4=CC=C(C=C4)Br 1 6.962 2 1 -6.56916441670092 287142 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.608 4 5 0 -12.6937613529025 287110 C1=CC=C(C=C1)C2=CNC(=O)NC2=O 1 0.467 2 2 0 -4.97585128309075 287009 CC(C)(C)OC(=O)N1CC2=CC3=CC=CC=C3N=C2C1CO 1 2.488 2 3 -6.13760468328548 286874 C1=CC(=CC(=C1)OC2=NC=C(C=C2)[N+](=O)[O-])C(F)(F)F 1 3.615 2 3 1.98587699752756 286873 COC1=C(C=C2C(=C1)C=CN=C2C(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC 1 3.249 2 7 0 -9.65942366672491 286861 CC1=NNC(=NC1=O)SC 1 0.551 3 1 0 -8.50214431066973 286826 C1COCCN1C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 1.325 2 5 0 -9.16283148966013 286634 COC(=O)NC1CCC(CC1)NC(=O)OC 1 1.013 2 4 0 -7.13478636247285 286520 CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=CC2=O 1 1.592 1 4 0 -3.45753374808617 286526 CCOC(=O)C1CC(=C(CC1C(=O)O)C)C 1 2.129 0 4 -5.12471505340195 286532 COC1=CC=C(C=C1)C(=O)C2=NO[N+](=C2C(=O)C3=CC=C(C=C3)OC)[O-] 1 0.576 2 6 0 -2.23933177740433 286554 CC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)O)Cl 1 1.12 2 4 0 -7.53298961480104 286547 CN1CCN(CC1)C2=CC=CC=C2N 1 1.202 3 0 0 3.10017689201405 286507 C1=CC2=C(C(=C1)NC(=O)C=CC(=O)O)N=CC=C2 1 1.38 2 3 0 -6.00123625787613 286497 C1=CC=NC(=C1)C2=NNC(=NN2)C3=CC=CC=N3 1 0.743 6 0 0 -3.53494457055987 286479 C1=CC=C2C(=C1)C=CC=C2C(=CC3=CC=NC=C3)C(=O)N 1 2.536 2 1 -0.255174481690804 286421 C1=CC=C(C=C1)CN2C=C(C(=O)C3=CC=CC=C32)C(=O)O 1 2.74 1 3 -2.79941666713282 286378 C1CC2=CC=CC3=C(C=CC1=C23)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.018 2 3 -7.77493438299152 286365 CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)C2=CC=CC=C2 1 2.739 1 4 -11.2012782069535 286363 C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC3=CC=CC=C32)O 1 2.984 1 3 2.23048003604882 286293 COC1=CC=C(C=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.476 1 4 0 -3.34340589457868 286290 COC1=C(C=C(C=C1)CCNC(=O)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OCC3=CC=CC=C3)OC 1 4.389 2 7 0 -17.9504044413182 286220 C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.853 1 3 -5.13651683833685 286201 CC1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C 1 3.161 1 3 -6.98918690363188 286033 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])[N+](=O)[O-] 1 4.88 4 6 0 -8.22681316587208 285865 C1CC2=C(C(=O)C1)NC3=CC=CC=C23 1 2.936 1 1 -4.57480379272018 285844 C1=CC=C(C=C1)CC(C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)O 1 4.484 0 2 -2.94711084752718 285785 C1=CC=C(C=C1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2 1 4.247 1 1 -13.0317328002528 285779 C1=CC=C(C=C1)C2=C(NOC2=O)C3=CC=CC=C3 1 2.404 1 2 -3.16205749422778 285698 C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1 1 1.417 2 1 0 -1.7108586321569 285619 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCOCC2 1 0.795 1 4 0 -11.6777381769606 285501 C1CCN(CC1)S(=O)(=O)N2CCNCC2 1 -0.701 3 2 0 -11.669864579231 285479 CCOC(=O)CN1C2=CC=CC=C2C(=CC1=O)C 1 1.96 1 3 0 -4.31668883272161 285470 CCNC1=NC(=NC(=N1)C2=CN(C3=CC=CC=C32)C4=CC=CC=C4)Cl 1 4.703 5 0 1.65868558493094 285449 C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)C4=NC(=NC(=N4)Cl)OC5=CC=CC=C5 1 6.578 4 1 3.77726685302318 285410 C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)SCC(=O)O)F 1 2.751 2 3 -9.50746244782757 285406 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.82 4 4 0 -17.3326633215606 285402 CC1=CC(=NC=C1)NC(=O)NC2=CC=C(C=C2)SC 1 2.939 3 1 0.739132370919031 285321 C1CCN(C1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.012 2 2 2.10223330548621 285318 C1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.468 2 2 1.74776479131813 285317 C1CCN(CC1)C2=C(C=C(C=C2)Cl)N 1 2.827 2 0 3.582564771044 285300 CCN1C(=CC(=O)C=C1O)C 1 1.187 1 2 0 -0.281077756221869 285167 C1=CC=C(C=C1)CN2N=C(N=N2)C3=CC=CC=C3 1 3.088 4 0 0.762084877861649 285164 CC1=CC=C(C=C1)C2=NNN=N2 1 1.785 4 0 0 1.89636602280302 285054 C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3N=N2 1 2.389 4 0 -4.19086106495739 284998 COC1=C(C=C2C(=C1)C3=C(C(=C(C4=C3C(=NC=C4)C2=O)OC)OC)OC)OC 1 3.026 1 6 0 -0.472645986465623 284957 CC1CC(NC(=O)O1)(C)C 1 0.857 1 2 0 -4.50879001385569 284927 CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC3=CC=CC=C3OC 1 1.655 2 4 0 -3.73207769126133 284723 C1C2=CC3=CC=CC=C3N=C2CN1C(=O)C=CC(=O)O 1 1.561 2 3 0 -1.95767913207287 284711 COC1=CC2=C(C=C1)C3=C(CC2)C=NN3 1 2.668 2 1 0.164461220247107 284708 C1=CNC(=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CN 1 1.442 3 2 0 -4.97429109450484 284329 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2OC(=O)C)C(=O)C 1 2.561 1 5 -7.21263075967713 284052 CC1C(N(C(CC1=O)C2=CC=CC=C2)C)C3=CC=CC=C3 1 3.771 1 1 3.14836714270828 283977 C1=CC=C(C=C1)NC(=O)NC2=NC=CS2 1 1.52 3 1 0 -4.3435756225689 284017 C1COCCN1C2=NC3=CC=CC=C3N2 1 1.117 3 1 0 -1.16768591520989 284016 CCCCNC1=NC2=CC=CC=C2N1 1 2.552 3 0 0.220487329975187 283537 CCCN(CCC)CC(=O)N1CC(=O)NC2=CC=CC=C21 1 1.713 3 2 0 -12.3070151601099 283473 C=CCNC1=CC=C(C=C1)C(=O)O 1 1.885 1 2 0 -8.19599322609434 283293 C1CC(=O)C(=CC2=CNC3=CC=CC=C32)C(=O)C1 1 2.518 1 2 -7.53910206937026e-002 283092 CC(CCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2 1 3.776 1 1 -9.91109635282186 283081 C1CCC2(CC1)C(=NO)C3(CCCC=C3)N(C2=O)O 1 2.545 2 3 2.05285858505553 283001 CC(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)C(=O)C 1 2.972 0 2 -0.610879459209617 282983 C1CCC(=O)C(C1)C2=CC=CC3=CC=CC=C32 1 3.717 0 1 -2.36171847480381 282953 CN1C2C3C4C(C1C5=CC=CC=C5C2C(N4C)C6=CC=CC=C36)[N+](=O)[O-] 1 2.942 3 2 0.326790380347274 282950 C1C(C=CS1(=O)=O)C2=CC=CC=C2 1 1.205 0 2 0 1.08632644021388 282697 COC1=CC(=CC(=C1OC)OC)C(=O)C2=COC=C2C(=O)C3=CC4=C(C=C3)OCO4 1 3.461 0 8 0 -7.97836646393169 282654 C1=CC=C(C(=C1)C(=O)C2=CC=CS2)C(=O)O 1 2.817 0 3 -6.22835114996437 282596 CCC(=NN=C(CC)C1=CC=CC=C1)C2=CC=CC=C2 1 4.789 2 0 -0.924612413861764 282594 CC(=O)N(C1CCCCC1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl 1 3.015 1 3 1.39116315309576 282568 CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2CC2)C3=CC=CC=C3 1 3.61 2 2 -7.63136063512115 282553 C1C(C12C3=CC=CC=C3C4=CC=CC=C24)C(=O)N 1 2.136 1 1 -0.490704394455653 282529 C[C@@H]1C[C@H]2[C@H](C[C@]3([C@H]1C=CC3=O)C)C(=C)C(=O)O2 1 2.536 0 3 -4.48248124581907 282499 CC(C)(C)C1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-] 1 3.047 3 2 0.679054156190556 282399 C1CCC(CC1)N2CCC2C(=O)O 1 -1.359 1 2 0 -4.30199978132419 282398 CC(C)(C)N1CCC1C(=O)N 1 0.121 2 1 0 -4.24356767719151 282395 CC(C)(C)N1CCC1CN 1 0.332 2 0 0 -1.96192392174903 282308 CCCCNC(=O)NC1=NC=NN1 1 0.576 5 1 0 -12.5762804106285 282191 C1CCN(C(=O)C(C1)Cl)C(=O)C2=CC=CC=C2 1 2.613 1 2 -5.78942521845421 282176 C1=CC=C2C3C(C(C(C2=C1)C4=CC=CC=C34)CO)CO 1 2.268 0 2 -1.27420173715684 281790 C1(=C(C2=NNN=C2C(=C1Cl)Cl)Cl)Cl 1 4.047 3 0 1.39600487073499 281782 CCOC1=CC=CC=C1C=C(C#N)C(=O)N 1 1.471 2 2 0 -9.91024365707647 281704 CC1=C(C=CC(=N1)C(=O)O)OC 1 1.003 1 3 0 -5.04239276438364 281701 CC(C)C(=O)NC1=CN=CC=C1 1 0.929 2 1 0 -9.16196719018936 281331 CC1=CC=C(C=C1)OCCC(=O)O 1 2.029 0 3 -4.91268619857257 281188 C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C(=O)C3=CC=CC=C3Cl 1 3.856 0 4 -0.422141076525113 281156 C1COC2(O1)C3=CC=CC=C3NC2=O 1 0.519 1 3 0 -8.3828925670016 281094 C1=CC=C(C=C1)C=NN2C=C(N=C2N)C3=CC=CC=C3 1 3.31 4 0 9.66408783242685 281093 C1CCN(CC1)C2=CS(=O)(=O)C3=CC=CC=C32 1 1.732 1 2 0 -1.95603890391726 281048 C1=CC=C(C=C1)C2=CN=NN2C3=CC=CC=C3 1 3.398 3 0 -0.466860865763694 280923 CSC(=CC(=O)C1=CC=CC=C1)SC 1 3.422 0 1 0.918831011861377 280908 CNC(=O)NC1=CC=C(C=C1)S(=O)(=O)N 1 -0.349 3 3 0 -9.57401527604298 280907 CC1=CSC(=N1)NC(=O)C 1 0.23 2 1 0 -4.27000735691499 280877 C1CCC2=NOC(=C2C1)C3=CC=CC=C3 1 3.614 1 1 1.77611136792287 280865 C1=CC2=C(C(=O)N=C2C=C1)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N 1 0.101 5 3 0 -8.56658435228457 280864 C1=CC2=C(C(=O)N=C2C=C1)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.913 3 3 0 -8.43299817483434 280863 C1=CC2=C(C(=O)N=C2C=C1)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 1.693 4 3 0 -8.82031036836411 280859 CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCOC3=CC=CC=C3)Cl)N)N)C CCS(=O)(=O)O 1 2.655 5 2 0 11.2200676981921 280831 C1COP(=O)(CO1)OC2=CC=C(C=C2)[N+](=O)[O-] 1 0.822 1 6 0 -4.31014288070096 280816 CCOP(=O)(OCC)OC1=CC(=C(C(=C1)C)N(C)C)C 1 3.244 1 4 -1.75557463255662 280747 C1CN(CCC1C(=O)O)C(=O)CC2=CC=CC=C2 1 1.38 1 3 0 -10.4384222000197 280739 C1CN2CC(=O)C1CC2=CC3=C4C=CC=C(C4=NC=C3)Cl 1 2.742 2 1 1.85144721533426 280709 CN1C(CC(=NO)CC1C2=CC=CC=C2)C3=CC=CC=C3 1 3.376 2 1 4.106426890992 280600 COC1=CC=CC=C1NC2=NCCS2 1 2.214 2 1 -6.74894725085743 280494 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C4=CC=CC=C4C2=O 1 3.957 1 2 -5.19065661197695 280492 CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C4=CC=CC=C4C(=O)O)C5=CC=CC=C51 1 5.81 2 3 -2.24471379859302 280361 C1=CC=C(C=C1)CCCNC(=O)NC2=CC=CC=C2 1 3.307 2 1 -8.11242287316073 280296 CC1=CC=C(C=C1)S(=NS(=O)(=O)C2=CC=C(C=C2)C)C 1 3.93 1 2 -1.07498731053751 280107 COC1=CC=C(C=C1)C(=O)N2C(C=CC3=CC=CC=C32)C#N 1 2.891 2 2 -5.31781813829729 280081 C1=CC=C(C=C1)C(=O)C2=NC=CC3=CC=CC=C32 1 3.42 1 1 -3.90657375157569 279986 CC=NN(C1=CC=CC=C1)C2=CC=CC=C2 1 3.459 2 0 -1.74849210005459 279959 C1=CC=C(C=C1)C2=NC(=O)C3=CC=CC=C3N2 1 2.493 2 1 -4.40169280511226 279888 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2 1 1.668 2 3 0 -10.1833859304204 279885 C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 3.031 2 2 -6.96236219631965 279883 CCC1=CC=C(C=C1)NC(=O)C2=CN=CC=C2 1 2.406 2 1 -6.26723833638318 279881 C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)F 1 1.669 2 1 0 -5.31592317513884 279880 C1=CC=C(C(=C1)NC(=O)C2=CN=CC=C2)F 1 1.669 2 1 0 -7.28973577936511 279879 C1=CC(=CC(=C1)NC(=O)C2=NC=CN=C2)C(F)(F)F 1 1.684 3 1 0 -3.02180399375972 279876 C1=CC(=CC(=C1)NC(=O)C2=CN=CC=C2)C(F)(F)F 1 2.406 2 1 -1.75938183750414 279869 C1=CC(=CC=C1NC(=O)C2=NC=CN=C2)Br 1 1.49 3 1 0 -7.02227763789907 279866 C1=CC=C(C(=C1)NC(=O)C2=NC=CN=C2)Cl 1 1.406 3 1 0 -7.29664251718086 279863 CCOC(=O)C1=CC=C(C=C1)NCC2=CN=CC=C2 1 2.275 2 2 -8.59852753536306 279843 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC=CN=C2 1 0.946 3 3 0 -11.8100234919415 279619 C1CCN(CC1)CC2=C3C=CC=NC3=C(C=C2)O 1 2.765 2 1 7.12849335176368 279609 COC1=CC(=C2C(=C1)C=CC=N2)NCC3=CC=CC=C3O 1 3.15 2 2 3.34584852793814 279426 CCOC(=O)NC1=C2C=CC=CC2=NC3=CC=CC=C31 1 3.465 2 2 1.25287897992093 279160 C1=CC=C(C=C1)COC2=CC=CC=C2P(=O)(O)O 1 2.56 0 4 -3.61710835730831 279149 C1C(N2C(S1)C3=CC=CC=C3C2=O)C(=O)O 1 1.246 1 3 0 -9.9977316866132 279136 C1=CC=C(C(=C1)[As](=O)(C2=CC=CC=C2Br)O)Br 1 4.74 0 2 0.97224398064777 279128 C1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)Cl 1 4.705 1 1 9.41702717784293 279122 COC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=CC=C3 1 4.024 1 2 7.18206227811197 278882 C1CCC(CC1)NC(=O)OC2=CC=CC=C2 1 3.451 1 2 -5.98766862592375 278810 C1=CC=C(C(=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.059 4 4 0 3.11873975867178 278573 C1=CC=C2C(=C1)C(=C(C(=C2O)C#N)C#N)O 1 2.012 2 2 -0.475917744742957 278483 CC(C)C1=C(C=CC(=C1)N(C)C)OC(=O)NC 1 2.95 2 2 -4.70690923731341 278388 CC(=NO)C1CC(C1(C)C)CC(=O)O 1 1.065 1 3 0 -3.36078168669571 278156 C1=CC=C(C=C1)N2C3=C(C=CC=N3)C=N2 1 2.304 3 0 1.44060553868812 278068 C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC=C3C2=O 1 2.013 1 5 -5.25097984461394 278037 C1=CC=C2C(=C1)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)O)NC2=O 1 4.236 2 4 -10.0246999364671 277874 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)OC 1 2.856 2 3 -1.0813628254359 277786 C1=CC=C2C(=C1)C=CC=C2C(=O)CCC(=O)O 1 2.323 0 3 -3.08058789184288 277714 C1=CC=C(C=C1)C(O)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 1 4.265 0 4 -2.91226261526486 277549 CC1=CC=C(C=C1)S(=O)(=O)CCC#N 1 1.821 1 2 0 -10.0962383111996 277465 CSC1=NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCCC3 1 3.031 2 2 -16.042237996937 277386 C1=CC(=CN=C1)C(=O)OCC(COC(=O)C2=CN=CC=C2)O 1 0.377 2 5 0 -7.56389328073846 277385 COC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC 1 1.863 1 6 0 -1.50285597039068 277163 CCSC1=NNC(=O)NC1=O 1 0.118 3 2 0 -16.0998581574342 277047 CCOC1=CC(=C(C=C1)N=CC=CC2=CC=CC=C2)O 1 3.877 1 2 13.2722499374774 276773 COC1=CC=CC(=C1)N=C(N)N=C(N)N 1 -3.3e-002 5 1 0 2.75856515792647 276764 C1=CC(=CC=C1N=C(N)N=C(N)N)O 1 -0.259 5 1 0 4.35262402514615 276750 CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)C3=CC=C(C=C3)S(=O)(=O)F 1 2.788 1 5 -13.1482953349067 276641 C1C(=O)N(C(=S)S1)N=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.354 3 3 -6.55430932419663 276460 CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2 1 3.091 1 2 -14.1638573883643 276146 COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3N)OC)OC)OC 1 2.757 2 4 -2.2378433137255 276137 COC1=C(C=CC2=C1CN3CCC4=CC5=C(C=C4C3C2)OCO5)O 1 3.174 1 4 -2.08537405541988 276114 C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3 1 2.473 1 2 -3.25186529875968 276032 CCOC(=O)NN=CC1=CC(=CC=C1)OC 1 1.994 2 3 0 -5.80567036578568 276020 CCOC(=O)NN=CC1=CC(=C(C=C1)OC)O 1 1.752 2 4 0 -3.34012627399541 275947 C1=CC=C(C=C1)COC(=O)NC(C2=CC=CC=C2)C(=O)N 1 2.173 2 3 -8.03890051583753 275780 CC1=CC=C(C=C1)NC2C(C(C(C(O2)CO)O)O)O 1 -3.1e-002 1 5 0 -13.3144457435239 275677 C1CSC(=N1)SCC2=CC=CC=C2 1 3.443 1 0 -8.91331041863413 275627 C1CCC(=O)C(C1)C(=O)C2=CC=CC=C2 1 2.694 0 2 -4.71355735668686 275582 CC1=CC=C(C=C1)C=NN=CC2=CC=C(C=C2)C 1 4.467 2 0 0.839816052260339 275503 CC1=NC2=C(S1)C=CC(=C2)S(=O)(=O)NC(=O)C 1 0.869 2 3 0 -9.90654761804974 275495 CC1=NC2=C(O1)C=CC(=C2)NC(=O)C 1 0.736 2 2 0 -4.00528048731615 275437 C1=CC=C2C(=C1)NC(=N2)CSCC(=O)O 1 1.568 2 2 0 -8.02588761802082 275363 C1=CC2=C(C=CC(=C2N=C1)O)C=O 1 1.533 1 2 0 3.7756683967621 275195 C1CN2CC3=CCOC4C5C3CC2C16C5N(C7=CC=CC=C67)C(=O)C4=CC8=CC=CC=C8 1 3.057 2 2 -0.552502237759416 275192 COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)O)OC 1 2.851 1 5 -5.86866294477211 275189 C1CN2CC3=CCOC(C4C3CC2C15C4NC6=CC=CC=C56)CC(=O)O 1 -1.612 2 3 0 -7.97867577261178 275137 C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)N)N 1 1.626 2 2 0 -2.50786352650399 274796 COC1=CC=C(C=C1)CNC2CCCCC2 1 3.209 1 1 2.38663536570988 274749 CCC(CC)NCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 2.956 2 4 -6.57779951297873 274547 C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)O 1 3.075 0 4 -2.84577630621131 274542 CC(=O)NC1=CC=C(C=C1)OCCOC2=CC=C(C=C2)[N+](=O)[O-] 1 2.46 2 5 0 -6.78426041411885 274314 C1=CC=C(C=C1)C2=NC(=O)C3=C(NNC3=N2)N 1 4.4e-002 5 1 0 -1.95955425956554 274299 C1=CC(=CC=C1C2=C(N=NS2)C(=O)N)C3=C(N=NS3)C(=O)N 1 1.4 6 2 0 -4.26351462622878 274298 CCOC(=O)C1=C(SN=N1)C2=CC=C(C=C2)C3=C(N=NS3)C(=O)OCC 1 3.804 4 4 0 -6.67341691460718 274295 CC1=C(N=CC=C1)NC(=O)C2=CSN=N2 1 1.462 4 1 0 -11.501264450784 274249 COC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2)[N+](=O)[O-] 1 2.492 2 4 -7.2833371633219 274182 C1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.825 1 5 0 -11.2709013921076 274155 CC1=CC(=NC2=C1C=CC(=N2)OC)C 1 2.352 2 1 -2.61341822711736 274117 C1COCCN1C2=C(C(=O)C2=O)N3CCOCC3 1 -0.863 2 4 0 -2.9132962263076 274116 CCOC1=C(C(=O)C1=O)N2CCOCC2 1 -0.285 1 4 0 -3.97012912141714 274097 CCOC(=O)NC1=NCC(S1)C 1 1.807 2 2 0 -10.2566811685313 273955 C1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2 1 1.871 1 2 0 -14.2767821816783 273954 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 3.431 1 2 -6.18960449043436 273577 CC1=CC(=NC2=CC=CC=C12)NCC3=CC=CC=C3 1 3.961 2 0 5.60763212673778 273543 C1=CC=C(C=C1)C2=CN=C(S2)CO 1 1.684 1 1 0 1.49114162682793 273487 CC1=CC=CC(=C1)C2=NC(=NC(=N2)N)N 1 1.6 5 0 0 7.4739497314571 273419 COC(=O)C1=CC=C(C=C1)N=NC2=CC=CC=C2 1 4.054 2 2 1.58220703367086 273366 C1=CC=C(C=C1)COC(=O)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2 1 2.756 1 6 0 -14.2799585983288 273362 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2 1 2.559 1 3 -13.3134875176748 273360 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=CC=C2 1 2.517 1 4 -9.25754299726425 273359 C1=CC=C(C=C1)COC(=O)NC(CC2=CN=CN2)C(=O)NN 1 -0.106 5 3 0 -7.64374369992073 273260 CC(=O)NC(CC1=CN=CN1)C(=O)O 1 -1.213 3 3 0 -9.32759090118194 273076 C1=CC=C(C=C1)SC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)O 1 4.556 0 4 1.8950441608451 273066 C1=CN=C(C(=N1)C(=O)NC(=O)N)C(=O)O 1 -1.203 4 4 0 -8.56880233778037 272940 C1=CC(=CN=C1)OC2=C(C=CC=N2)[N+](=O)[O-] 1 1.522 3 3 0 -4.57014808984953 272939 C1=CC(=CN=C1)OC2=NC=C(C=C2)[N+](=O)[O-] 1 1.522 3 3 0 -5.37256075347647 272904 COC(=O)C1=C(NN=C1)N 1 -0.493 3 2 0 -5.18998829369118 272861 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)O 1 4.04 1 3 -9.38636456621067 272832 CCOC(=O)C(C(=O)OCC)NC1=CC2=CC=CC=C2C=C1 1 3.007 1 4 -5.14233656447507 272803 C1=CC=C(C=C1)C(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O 1 2.062 1 4 -8.82656802429154 272783 C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 2.333 2 4 -10.7096692644372 272762 CC(C)OC(=O)CN1C(=O)C2=CC=CC=C2C1=O 1 1.295 1 4 0 -8.75107236294646 272645 C1=CC(=CC=C1C2N=C(N=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)N)Cl 1 1.366 6 2 0 -0.284217408855622 272630 COC(=O)C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC 1 2.711 0 4 -2.71642368479142 272594 CN1C2=C(C(=O)N(C1=O)C)NC3(N2)C4=CC=CC=C4NC3=O 1 -0.553 5 3 0 -12.7429661347419 272587 C1=CC2=C(C(=O)N=C2C=C1)NC3=CC=C(C=C3)F 1 2.413 2 1 -2.05072511552918 272568 C1CN(CCN1CC2=CC(=C3C=CC=NC3=C2O)Br)C4=CC=CC=C4 1 4.225 3 1 8.64249173878476 272567 CC1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32 1 3.323 1 2 1.80937185924215 272555 CC1=CC(=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32)C 1 3.81 1 2 0.552277403734648 272529 C1COCCN1C2=CC(=O)C(=O)C3=CC=CC=C32 1 1.206 1 3 0 -1.37467947632629 272524 CC1=NC=C(C(=N1)N)CN=CC2=CC=C(C=C2)Cl 1 2.067 4 0 0.117113544991021 272514 C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=CC=C3 1 2.48 1 2 -1.67796544234732 272502 CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 2.539 1 3 -10.3545933242598 272429 CN(C)C1=CC=C(C=C1)N2C=CC=C2 1 2.868 2 0 -0.80888664547053 272367 C1=C(C=C(C(=C1[N+](=O)[O-])NC2=NN=NN2CCO)[N+](=O)[O-])[N+](=O)[O-] 1 -0.262 8 7 0 -12.8970791869594 272364 C1=CC=C(C=C1)C(=O)CC2C=CC3=CC=CC=C3N2C(=O)C4=CC=CC=C4 1 4.574 1 2 -6.78714531677924 272358 CC1=CC=C(C=C1)C2=C(OC(=N2)C3=NC=CC4=CC=CC=C43)C5=CC=CC=C5 1 6.081 2 1 10.3635811381895 272338 C1=CC=C(C=C1)C2=CC=C(N2)C3=NC=CC4=CC=CC=C43 1 4.729 2 0 4.70019067177553 272334 C1=CC=C(C=C1)C2=CC(=C(N2)C3=NC=CC4=CC=CC=C43)C#N 1 4.608 3 0 3.33799726077342 272224 CC(C)(C)NC(=O)C1=CC=C(C=C1)C(=O)NC(C)(C)C 1 2.108 2 2 -10.9324174246679 272217 COCCCNC(=O)C1=CC=C(C=C1)C(=O)NCCCOC 1 0.109 2 4 0 -11.4729759975598 272110 CC1=NN=C2N1N=C(C3=CC=CC=C32)C4=CC=CC=C4 1 2.969 4 0 -2.00438804137002 272089 CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C 1 0.894 1 9 0 -21.8174699055462 272051 CC(C)(C)NC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=O 1 3.061 1 2 -9.38340004996476 271952 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=CC4=CC=CC=C43 1 3.359 2 3 -4.12644808913693 271938 COC1=CC=CC=C1C=NNC(=O)C2=CC=CC3=CC=CC=C32 1 3.575 2 2 -2.65456632169446 271643 C1=CC2=C(C=C1Cl)C=C(C(=O)O2)C(=O)O 1 2.154 0 4 -4.00036817364152 271640 C1=CC=C2C(=C1)C=CC3=C2OC(=O)C(=C3)C(=O)O 1 2.398 0 4 -5.03138186942689 271561 C1=CC=C(C=C1)C(=NOC(=O)NC2=CC=CC=C2)C3=CC=CC=N3 1 3.975 3 2 -0.916940311159208 271296 CC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O 1 1.72 0 4 0 4.98742041543013 271292 COC1=C(C=C(C=C1)CCNC(=O)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OC 1 2.806 2 7 0 -16.2783499623579 271030 CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3 1 2.156 5 3 0 -1.42836842261998 270941 COC1=C(C=C(C(=C1)CC(=O)O)[N+](=O)[O-])OC 1 1.356 1 6 0 -7.99889364632844 270590 C1CCC(=NO)C2=CC=CC=C2C1 1 2.874 1 1 -0.930639811236822 270498 CN(C)C1=C(C=C(NC1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.674 2 1 -3.13844944841023 270383 C1CCN(CC1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.963 3 3 0 -7.49698175396977 270357 COC1=C(C=C(C=C1)CCNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])OC 1 2.839 2 5 0 -14.950513091971 270308 CC1=CC=C(C=C1)CC(=O)N2CCOCC2 1 1.452 1 2 0 -9.35804437290884 270304 CCC1=CC=C(C=C1)CC(=S)N2CCOCC2 1 3.332 1 1 -4.03264919806747 270273 CC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC3=CC=CC=C3O 1 2.694 2 2 -1.62897745045421 270247 CC(=O)N1C2=CC=CC=C2C3(C1=O)NC4=CC=CC=C4N3 1 2.037 3 2 -3.97434432510356 270006 C1=CC(=CC=C1N2C=NN=N2)Cl 1 1.381 4 0 0 -8.45357302898936 269862 CC(=O)C1=C(C2=CC=CC=C2C(=C1)O)O 1 1.994 0 3 0 -2.15538417165675 269720 CC1=CC(=CC=C1)N2CCN(CC2)C(=S)C3=CC=CC=C3 1 4.783 2 0 2.50810710596406 269717 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C 1 1.39 2 2 0 -12.449161023987 269713 C1CCN(C1)CC(COC2=CC=CC=C2)O 1 1.902 1 2 0 -2.77606066621088 269698 CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O 1 2.469 1 4 -14.2124939718545 269689 CC(=NN=C(C)C1=CC(=CC=C1)N)C2=CC(=CC=C2)N 1 1.962 4 0 0 0.318516813375863 269665 C1=CC(=CC=C1SC(=S)SC2=CC=C(C=C2)Cl)Cl 1 7.161 0 0 4.10696677585538 269662 C1CCN2C(=NC3=C2C=CC(=C3)Cl)C1 1 3.188 2 0 1.45140798410878 269657 CCSC1=NC(=O)C(=C(N1)C)C 1 1.763 2 1 0 -9.87277641953679 269431 CS(=O)(=O)OC1=C2C(=C(C=C1)Br)C=CC=N2 1 2.323 1 3 -1.63984948927558 269400 C1=CC=C(C=C1)C(=O)CC(=O)NC2=CN=CC=C2 1 1.384 2 2 0 -3.4995967742975 269341 CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C 1 1.958 4 2 0 -6.2354148187292 269262 CCOC(=O)NNC1=CC=CC=C1 1 1.964 2 2 0 -1.53648653363942 269234 C1=CC=C(C=C1)CNC2=NC=CN=C2 1 0.987 3 0 0 -1.65147764412349 269224 CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC2=CN=CC=C2 1 0.615 3 3 0 -9.33023615265379 269210 CC1=CC(=O)NC2=C1C=C(C=C2)CC3=CC=C(C=C3)NC(=O)C 1 2.793 2 2 -13.2397101129052 269208 CC1=C2C(=O)C=C(NC2=C(C=C1)C)C 1 2.699 1 1 -6.54075849565048 269177 CC(=NNC(=O)N)C1=CC=CC=C1Cl 1 1.454 3 1 0 -7.31131410303779 269153 CC1=CC(=O)C2=C(N1)C=CC(=C2)C(=O)C3=CC=CC=C3 1 3.131 1 2 -9.86328857353564 269062 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2 1 2.995 2 3 -8.47012037016944 269008 COC(=O)C1=CC=CC=C1NCCO 1 0.954 1 3 0 -5.32114397877689 268975 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=CC=C3 1 2.99 2 2 -8.81942174360733e-002 268967 CCOC(=O)CC1=CC(=O)C2=C(N1)C=CC(=C2)C 1 2.168 1 3 -8.65949472795325 268954 CC1=CC(=NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)N=C(C=C4C)Cl)Cl 1 6.896 2 0 1.4945978772947 268801 C1=CC=C2C3C4=CC=CC=C4C(C2=C1)C5=C(C=CC(=C35)O)O 1 4.203 0 2 0.516335434705941 268717 CC1=NC2=CC=CC=C2C(=C1)OCCN3CC3 1 2.239 2 1 4.93789617035036 268715 C1CN1CCOC2=NC3=CC=CC=C3C=C2 1 2.496 2 1 5.0373672620158 268689 C1C(=O)N(C(=O)S1)CCNC(=O)C2=CC=CC=C2 1 1.107 2 3 0 -17.234969321343 268659 CC1=C(S(=O)(=O)C2=CC=CC=C12)C(=O)N 1 0.723 1 3 0 -1.43614574036803 268605 CC1=CC(=C(C#N)C#N)C2=CC=CC=C2N1C 1 2.34 3 0 -0.566464292581141 268524 C1=CC=C2C(=C1)C(=CS2)C=C3C(=O)NC(=O)NC3=O 1 1.726 2 3 0 -4.30063126335843 268461 CC(=CCCC(=CC(=O)N)C)C 1 2.54 1 1 -2.49498392648104 268472 CC(C)(C)OC(=O)N1CCCC1C(=O)O 1 1.232 1 4 0 -8.66763730768039 268505 C1=CC=C2C(=C1)C=C(C(=N2)N)C#N 1 1.687 3 0 0 0.571703060178457 268350 CC1=CC(=O)N2CCCC3=CC=CC1=C32 1 2.435 1 1 -3.25243931888026 268297 CC1=CC(=O)N(C2=CC=CC=C12)CC(=O)O 1 1.386 1 3 0 -5.22640499413405 268208 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)C3=CC=CC=C3 1 3.148 0 4 -3.53916992563539 268105 CC1=CC(=C(C(=O)N1N=CC2=CC=CC=C2)C#N)C 1 2.326 3 1 -4.6635823370763 268038 C1=CC=C(C=C1)C(=O)CC(=O)NC2=CC=CC=N2 1 1.923 2 2 0 -2.74064077316701 267835 CC(=O)NC1=CC(=CC=C1)OCCCOC2=CC=C(C=C2)[N+](=O)[O-] 1 2.522 2 5 0 -5.79300566578422 267737 C1=CC=C(C=C1)OCC(CN2C=CC=CC2=N)O 1 1.058 2 2 0 -6.04507935353127 267579 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.354 1 2 1.58434912490293 267576 C1=C(C(=C(C2=C3C(=CC(=O)C(=O)O3)OC(=C21)O)O)O)O 1 -0.824 0 8 0 -4.03716564942112 267548 C1C(OC2=CC=CC=C2O1)CCC(=O)O 1 1.695 0 4 0 -6.17212547223426 267495 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=CO3 1 1.846 2 4 0 -6.41770355983282 267492 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=CO2 1 2.24 3 2 -7.40072456134054 267481 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN=CC3=CC=C(C=C3)C(=O)O)O 1 3.242 2 4 -11.6442701322589 267377 CNC1=NC(=O)N(C=C1)C2CCCO2 1 -0.275 3 2 0 -10.5541393490633 267330 C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)CC(=O)N 1 2.36 2 1 2.77197262438584 267294 C1=CC=NC(=C1)C2=NN=C(S2)C3=CC=CC=N3 1 2.168 4 0 0.417842110658508 267162 CC1=C(C2=CC=CC=C2N1C)C(=O)C3=CC=CC=C3 1 3.879 1 1 -1.98666245746313 267156 CCOC(=O)C(C(CC(=O)C1CC1)C2=CC=CC=C2)C(=O)OCC 1 2.994 0 5 -9.46598304592315 267147 CCCC1C2C(C(=O)N(C2=O)C3=CC=CC=C3)ON1C4=CC=CC=C4 1 3.638 2 3 -6.29618488490222 267115 CC1=C(C2=CC=CC=C2N1C)C(C)(C3=C(N(C4=CC=CC=C43)C)C)C(=O)O 1 4.696 2 2 -1.08489017285667 267027 C1=CC=C(C(=C1)C=NNC(=O)CCCC(=O)NN=CC2=CC=CC=C2C(=O)O)C(=O)O 1 1.803 4 6 0 -10.5249374209544 266981 CCC1=C(N2C=CC=CC2=NC1=O)O 1 1.103 2 2 0 -7.79321069806866 266913 CC(=O)NC1=CC=C(C=C1)OC(=O)OC2=CC=C(C=C2)NC(=O)C 1 2.058 2 5 0 -5.67381705991123 266835 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)N 1 2.263 2 2 -4.27945994792634 266828 CC(=O)N(C1=CC=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.521 3 5 0 -4.52787139155444 266802 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O 1 0.957 1 4 0 -9.81300894518458 266689 C1CCC(C1)(C(=O)O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.297 2 4 0 -9.50669953363598 266625 COC1=C(C=C(C(=C1)CC(=O)C2=CNC3=CC=CC=C32)Cl)OC 1 4.194 1 3 -0.637775091753675 266598 CC1=C(NC2=C(C=CC(=C12)OC)OC)C 1 2.722 1 2 1.24383505708626 266468 C1=CC(=CC(=C1)F)NC(=O)NC2=CC(=CC=C2)Cl 1 3.392 2 1 1.43369503867828 266337 CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2C(F)(F)F 1 2.319 1 3 -4.50138830761651 266331 C1=C(N=NS1)C(=O)NC2=CSN=N2 1 0.672 5 1 0 -12.0809032088834 266203 C1=CC(=CC=C1NC2=NC(=NC(=C2C=NC3=CC=C(C=C3)Br)N)N)Br 1 4.163 6 0 8.42546577756314 266151 C1=CN=CC=C1C2=NSC(=N2)C3=CC=NC=C3 1 1.402 4 0 0 4.92753563693309 266124 CC(=O)OC(C1CC2CCN1CC2C=C)C3=C4C=C(C=CC4=NC=C3)OC 1 3.112 2 3 0.77992065651483 266106 CC1=CC2=NN=CN2C3=CC=CC=C13 1 2.448 3 0 0.341330405599023 266054 COC1=C2C(=C(C=C1)OC)C(=O)C3=CC=CC=C3C2=O 1 2.775 0 4 -0.477586701453636 265982 CC(C)(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C 1 4.266 2 4 -17.240666822286 265996 C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.465 2 1 1.48648084900701 265942 C1CCN(CC1)CC(=O)N2CCN(CC2)C(=O)CN3CCCCC3 1 0.643 4 2 0 -5.66700480206593 265941 C1CN(CCN1C(=O)CN2CCOCC2)C(=O)CN3CCOCC3 1 -1.816 4 4 0 -8.06561101297801 265940 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC4=C(C=C3)C=NN4 1 2.859 3 2 5.99358425726621 265924 C1CCC2(CS(=O)(=O)C2C1)N3CCOCC3 1 0.711 1 3 0 -5.77028519135291 265885 C1=CC2=C(C(=C1)Cl)NC=CC2=O 1 1.877 1 1 0 -2.25599784372963 265867 CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl 1 3.702 1 2 6.275930825145 265737 CC1=CC(=C(C=C1)N2C(=O)CCC2=O)C 1 1.962 1 2 0 -5.90829414589324 265714 C1OC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3 1 2.904 0 4 1.27872817808101 265711 CC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O 1 3.084 0 3 1.45768131999601 265605 CC(C)C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C 1 1.29 4 2 0 -10.3316300203111 265594 C1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC=C3O)C4=CC=CC=C4 1 6.083 1 1 3.27195343265561 265580 CC#CC#CC1=CC=CC(=O)O1 1 2.22 0 2 -5.838016552347 265545 CC(=O)NC1=CC(=C(C2=C1N=CC=C2)NC(=O)C)OC 1 0.24 3 3 0 -7.06215547228852 265439 C1=CC(=CC=C1C2C(=O)NC(=O)N2)F 1 0.764 2 2 0 -13.8235752491259 265354 CC1=CC=CC=C1NC(=O)NCCN2CC2 1 1.389 3 1 0 -9.6892948119012 265315 CC1=CSC(=N1)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 0.772 2 3 0 -4.74359149232943 265277 C1C(OC(=O)C2=CC=CC=C21)C(=O)O 1 1.377 0 4 0 -5.15048601190563 265192 CC1=CC2=CC=CC=C2C(N1C(=O)C3=CC=CC=C3)C#N 1 2.895 2 1 -7.90523356447532 265056 CCOP(=O)(NC1=CC2=C(C=C1)OC(=O)C3=CC=CC=C32)OCC 1 2.582 1 5 -7.29308480588508 265000 CC1=CC(=C(C(=O)N1N=CC2=CC=CO2)C#N)C 1 1.721 3 2 0 -5.43542160550421 264967 C1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2 1 3.105 1 1 -7.70026473113749 264770 CC1=C(C=CC(=C1)N2C=NC3=C2NC=NC3=O)N 1 0.712 5 1 0 1.20568065112688 264704 CC1=CC=C(C=C1)S(=O)(=O)N=S(C2=CC=CC=C2)C(C)C 1 4.17 1 2 0.214929307398953 264512 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 2.681 2 5 0 -5.45982383530914 264507 CNC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2 1 3.1 2 3 -5.78450022788499 264319 COC1=CC2=C(C=C1)C3=NC(=NC=C3CC2)N 1 2.356 3 1 4.85909437416686 264200 CCCCS(=NS(=O)(=O)C1=CC=C(C=C1)C)C 1 3.196 1 2 -1.7592279862909 264199 CCS(=NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C)CC 1 1.199 2 3 0 -6.04138128060158 264126 C1CC(=CC2=CC3=C(C=C2)OCO3)C(=O)OC1 1 2.412 0 4 -3.13192759100816 264115 CN1CCC23C4NC5=CC=CC=C5C2(C1NC6=CC=CC=C36)CCN4C 1 3.182 4 0 -0.470063452690238 264091 C1=CC=C(C=C1)C(C2=C[N+](=CC=C2)[O-])O 1 0.843 1 2 0 -5.15637398496323 264088 CC1=CN(C(=O)NC1=O)C2CC3C(O2)CO3 1 -0.472 2 4 0 -8.7329024869511 264084 COC1=CC=CC=C1C=CC(=O)C=CC2=CC=CC=C2O 1 3.901 0 3 3.57827960792238 264082 COC1=C(C=C(C=C1)C=NN=CC2=CC(=C(C=C2)OC)OC)OC 1 3.429 2 4 -3.45233370646309 264065 C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C=C2 1 4.353 1 1 -1.48286194565788 264006 C=CCNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O 1 -1.181 5 4 0 -15.7328858309135 263966 CCC(=O)C1=C(C(=C(C=C1)OC)OC)O 1 1.961 0 4 0 -2.44355621033988 263870 C1=CC=NC(=C1)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.396 4 2 1.53835941970031 263863 CN(C)C1=CC=C(C=C1)C=NNC2=CC=CC=N2 1 2.999 4 0 0.622728052079636 263861 COC1=C(C=C(C=C1)C=NNC2=CC=CC=N2)OC 1 2.804 3 2 -1.00813532803114 263735 C=C(C1=CC=CC=C1)C2=CC=CC=C2N 1 3.113 1 0 -1.9688905873133 263654 C1CCC(=C(C#N)C(=O)N)CC1 1 1.55 2 1 0 -4.03800833729691 263609 C=CC(=O)NC1=CC=C(C=C1)Br 1 2.396 1 1 -4.31525401904471 263555 CCOC(=O)NC1=C(N(C(=O)N(C1=O)C)C)Cl 1 0.232 3 4 0 -9.96551130044615 263534 CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)OCC(=O)O)C 1 2.744 0 5 -5.77916119886114 263509 CCN(CC)C1=CC=C(C=C1)C=NNC2=NC(=O)C=C(N2)C 1 2.267 5 1 -15.8694893331371 263506 CC1=CC(=O)N=C(N1)NN=CC2=C(C(=CC=C2)OC)OC 1 1.375 4 3 0 -11.4257450356468 263504 CC1=CC(=O)N=C(N1)NN=CC2=CC(=C(C=C2)OC)OC 1 1.375 4 3 0 -15.2069668519893 263503 CCOC1=CC=CC=C1C=NNC2=NC(=O)C=C(N2)C 1 1.74 4 2 0 -11.2183458396983 263490 CC1=CC(=O)N=C(N1)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 1.302 5 3 0 -13.2559087505359 263487 CC1=CC(=O)N=C(N1)NN=CC2=CC=CC=C2Cl 1 2.072 4 1 -9.15626428287113 263484 CC1=CC(=O)N=C(N1)NN=CC2=C(C=C(C=C2)Cl)Cl 1 2.736 4 1 -6.92875464339515 263463 C1CC2(CCC13NC4=CC=CC5=C4C(=CC=C5)N3)NC6=CC=CC7=C6C(=CC=C7)N2 1 4.592 4 0 1.28560609348963 263434 CC12CC(C3C(C1CCC2=O)CCC4=C3C=CC(=C4)O)O 1 2.769 0 3 -3.7112331381652 263261 CCOC(=O)C(=CC1=CC=CC=C1OC)C(=O)OCC 1 2.65 0 5 -1.40658852763651 263211 CC1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O 1 3.395 0 8 0 -5.79298422330064 263177 CCCCNCC1CCCO1 1 1.471 1 1 0 -5.00693566665451 263124 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(C3=CC=CC=C3)C(=O)O 1 4.729 0 2 -4.4222853591745 263099 CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=O)N2C 1 3.185 2 1 -3.39473135374001 263032 CC1=CCC(C(C1)C(=O)O)C(=O)O 1 1.108 0 4 0 -5.37772884151526 262953 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)N 1 1.761 3 1 0 -9.43820882613894 262698 COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)OC 1 0.412 2 4 0 -13.787553896863 262685 C1=CC=C(C=C1)C2=NOC(=O)C3=CC=CC=C32 1 2.958 1 2 0.844761951646836 262634 C1CCN(CC1)CCCCC(=O)C2=CC=CC=C2 1 3.518 1 1 -1.8453125254943 262620 CCOC(=O)C1=CC(=C2C=CC=CN2C1=O)C(=O)OCC 1 0.597 1 5 0 -10.7538306491398 262552 CCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NNC2=O 1 2.85 4 2 -9.04148209718972 262502 CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC(=O)C)C)C)C)NC1 1 4.746 1 3 -25.4524268089754 262424 C1=CC=C2C=C(C=CC2=C1)C=C3C(=O)NC(=O)NC3=O 1 1.772 2 3 0 -4.64930976505934 262399 CN1C(=O)C2(C(NC(=O)N2C)(N(C1=O)C)OC)OC 1 -0.47 4 5 0 -6.00565556999766 262093 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)SCCO)SCCO 1 1.171 0 4 0 -1.71765719898116 262030 CCCOP(=S)(NC1=NC(=O)C=C(N1)N)OCCC 1 1.271 4 3 0 -6.80345660061411 261898 CCOC(=O)C1=C(NC(=C1C)C2=CSC(=N2)C)C 1 2.714 2 2 -3.03582036779144 261916 CSC1=NC=C(C(=O)N1)OCC2=CC=CC=C2 1 1.725 2 2 0 -5.27181890712697 261865 C1=CC=C(C=C1)C2=CC=CC=C2CC(C(=O)O)C(=O)O 1 3.075 0 4 -0.41771408695913 261859 COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3O)OC)OC)OC 1 2.796 0 9 0 -0.545626094703065 261702 CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)C)C 1 2.545 2 2 -8.84091302085178 261617 CC1C2=C(CCN1C(=O)C)C3=C(N2)C=C(C=C3)OC 1 2.077 2 2 -10.0693638982969 261542 C1=CC=C(C=C1)CNC2=NC=C(C=C2)[N+](=O)[O-] 1 2.032 3 2 -5.3826388280137 261536 CC1=CC=C(C=C1)NC(=O)C(C)S 1 2.22 1 1 -5.52408971025336 261524 C(C(=O)O)S(=O)(=O)CC(=O)O 1 -1.258 0 6 0 -5.09802089750902 261502 CCOC(=O)C1=CN=C2N=CNN2C1=O 1 -1.266 4 3 0 -7.23527768062561 261491 C[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)C 1 1.91 0 1 0 -4.5918856183834 261472 C1=CC=C(C=C1)C(NC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.677 2 2 -9.32903518914203 261419 C1=CC=C(C=C1)N2C=NNC2=O 1 0.913 3 1 0 -5.20473992675865 261413 C1=CC=C(C=C1)C2=C(C=C3N2C=CC4=CC=CC=C43)C(=O)N 1 3.383 2 1 -0.217209446818137 261400 C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=CC=C3F 1 3.341 0 2 0.662934049335254 261391 C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)F 1 3.341 0 2 3.34521903195638 261297 C1CN(CCN1CCCN)C2=CC=CC=C2 1 1.182 3 0 0 4.79695617307562 261282 CCN(CC)CCOCC=C 1 1.503 1 1 0 -4.63892845687025 261126 C1=CC(=C(C=C1NC(=O)CN2C=CC(=O)NC2=O)O)C(=O)O 1 -0.782 3 6 0 -14.6415593603953 261123 C1=CC(=CC=C1N)OCCCC2=C(N=C(N=C2N)N)N 1 1.008 6 1 0 1.92927497158227 260992 C1CCC(C(C1)C(=O)NC2=NC=CS2)C(=O)O 1 1.258 2 3 0 -6.15328451157885 261032 C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)[As](=O)(O)O)O 1 2.016 1 5 -2.14850475418634 260981 CC1=CC2=C(C=C1C)N=C(N2)C=CC3=NC4=C(N3)C=C(C(=C4)C)C 1 5.605 4 0 4.76117536013378 260972 CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCCCC2 1 3.998 1 2 -7.05717682856044 260958 COC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 3.152 3 5 0 -1.19047520112961 260645 C1=CC2=C(C=C(C(=C2N=C1)O)[N+](=O)[O-])Cl 1 2.333 2 3 2.55650216558612 260644 C1=CC2=C(C=C(C(=C2N=C1)O)[N+](=O)[O-])F 1 1.874 2 3 0 1.49845192173446 260557 CN(C)C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl 1 3.378 2 2 3.61464444653235 260556 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)O 1 2.974 1 3 8.15580493628415 260480 C1C(C(OC1N2C=NC3=CC=CC=C32)CO)O 1 0.673 2 3 0 -4.06726649184529 260384 C1=CC(=CN=C1)C(=O)C(=O)C2=CN=CC=C2 1 0.818 2 2 0 -3.64570057356387 260349 C1COCCN1C2=NC=C(C=C2)C(=O)N 1 -0.55 3 2 0 -4.35922946775396 260314 CC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC4=CC=CC=C43)O 1 4.465 2 2 -0.306663291629472 260310 C1CN(CCN1CC(COC2=CC=CC3=CC=CC=C32)O)C4=CC=CC=C4 1 3.979 2 2 -0.736379483784107 260308 C1CN(CCN1CC(COC2=CC=CC3=CC=CC=C32)O)C4=CC=CC=C4Cl 1 4.643 2 2 0.232812413155196 260307 C1CN(CCN1CC(COC2=CC=CC3=CC=CC=C32)O)C4=CC(=CC=C4)Cl 1 4.643 2 2 3.67216472372626 260296 CC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)C)O 1 4.043 2 2 3.87021332879528e-002 260295 CC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC(=C3)C)O 1 4.043 2 2 1.49224526097313 260291 COC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O 1 3.054 2 3 -0.496248282481734 260288 CC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3)O 1 3.557 2 2 0.3767870635367 260286 CC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O 1 3.557 2 2 0.603717880363271 260282 COC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)Cl)O 1 3.718 2 3 1.6844478297721 260272 CC1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=C(C=C3)Cl)O 1 4.221 2 2 1.517625787075 260271 CC1=CC(=CC=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)Cl)O 1 4.221 2 2 5.02707717670394 260270 CC1=CC(=CC=C1)N2CCN(CC2)CC(COC3=CC=CC=C3Cl)O 1 4.221 2 2 1.28129602684308 260257 C1CN(CCN1CC(COC2=CC=C(C=C2)Cl)O)C3=CC(=CC=C3)Cl 1 4.399 2 2 5.68554159168589 260251 CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2 1 0.904 2 2 0 -13.3451706632232 260182 CC(C)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl 1 2.087 1 2 1.05669782613615 259999 CC1=CC=CC=C1C2=NN=C(O2)C3=CC=CC=C3 1 3.54 2 1 3.66465709122139 259998 CC1=CC=CC(=C1)C2=NN=C(O2)C3=CC=CC=C3 1 3.54 2 1 7.20809254689875 259997 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3 1 3.54 2 1 4.03149071035494 259995 C1=CC=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=N2 1 3.111 4 2 -1.06440866344711 259840 C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)F)F 1 3.465 2 1 3.55296163505948 259834 CC1=CC(=C(C(=C1)C(=O)O)N)C 1 1.685 1 2 0 -0.563240909823289 259819 C1=CC2=NC=C(N2C=C1)[N+](=O)[O-] 1 1.004 3 2 0 -5.65323905863546 259766 C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)C4=CC(=C(C=C4)Cl)Cl 1 5.291 2 1 7.46527413821179 259756 C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3Cl 1 4.126 1 1 9.5551951602302 259755 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)Cl 1 3.718 2 1 7.58683779385226 259704 CCOC(CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])OCC 1 1.568 2 5 0 -12.11225502334 259639 COC1=CC(=C(C=C1)OC)C(=O)C2=CC=C(C=C2)C(=O)C3=C(C=CC(=C3)OC)OC 1 4.572 0 6 -4.34725615231835 259632 COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O 1 2.768 0 4 4.78373537489217 259631 C1=CC=C(C=C1)C(=O)CNC(=O)C2=CC=CC=C2 1 2.293 1 2 -8.58680542271384 259624 C1=CC(=CN=C1)CCC(=O)O 1 0.8 1 2 0 -7.54881965548592 259580 COC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)Cl)O 1 3.718 2 3 2.12877698574862 259483 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 3.537 2 1 0.459332634705785 259481 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.324 2 2 -10.832184120093 259478 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CS3 1 2.826 2 1 -6.27796038060717 259469 C1COCCN1CC(COC2=CC=CC=C2)O 1 1.129 1 3 0 -5.52913539129104 259418 C1=CC=C(C(=C1)NCSC2=CC=C(C=C2)Cl)Cl 1 5.14 1 0 3.23502512351499 259399 COC1=CC=C(C=C1)C(=NN)C2=CC=C(C=C2)OC 1 2.764 2 2 -0.798875332792457 259366 CC(=O)NCC(C1=CC=C(C=C1)[N+](=O)[O-])O 1 0.341 2 4 0 -5.52702486596134 259232 COC1=C(C(=C2C(=O)COC2=C1)OC)O 1 0.964 0 5 0 0.540804670350214 259161 CN1C=CC(=NC1=O)OCC=C 1 0.718 2 2 0 -6.46436937389234 259159 C=CCOC1=NC(=NC=C1)C2=CC=CC=C2 1 2.81 2 1 -2.74393093974343 259144 C1CC(C(=O)C1)C(=O)NC2=CC3=CC=CC=C3C=C2 1 2.527 1 2 -2.2484716340634 259093 CC1=CC(=O)N=C(N1)NN=CC2=CC=C(C=C2)N(C)C 1 1.57 5 1 0 -13.5761034718785 259084 COC1=C(C=C(C=C1)C(=S)N2CCN(CC2)C3=CC=CC=C3Cl)OC 1 4.928 2 2 -3.89584629188932 259071 CC1=CC=CC=C1N2CCN(CC2)C(=S)C3=CC=CC=C3 1 4.783 2 0 1.09703724129901 259002 CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN=CN2)C(=O)O 1 0.641 3 4 0 -11.6984639622275 258989 C1CN(CCN1C(=O)C2=CC=CC=N2)C(=O)C3=CC=CC=N3 1 0.681 4 2 0 -6.04686234909215 258939 COC1=CC2=C(C=C1)NP(=S)(N2)OC3=CC=CC=C3 1 2.696 2 2 -1.6628451255219 258873 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.576 2 2 -12.3865641668628 258849 C1CN(CCN1C2=CC=CC=C2)C(=O)NC3=CC=CC4=CC=CC=C43 1 3.689 3 1 -2.31302488287239 258820 CCOC(=O)C1(CC1C2=CC=CC=C2)C(=O)OCC 1 2.546 0 4 4.67525210882807e-002 258818 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2Cl)Cl 1 3.2 2 2 -5.60861445765619 258747 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-] 1 3.401 2 2 3.1515016164876 258697 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CC=C2 1 2.357 2 2 -4.72914254690892 258634 C1CN(CC2=CC=CC=C21)C(=O)C=CC(=O)N3CCC4=CC=CC=C4C3 1 2.923 2 2 -7.96003854735883 258632 CC1=CC=C(C=C1)OP(=O)(NC2=NC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C 1 4.546 3 5 0 -3.2432569730621 258625 CC1=CC=C(C=C1)OP(=O)(NC2=CC=CC=N2)OC3=CC=C(C=C3)C 1 4.651 2 3 0.918380202309946 258624 CCOP(=O)(NC1=NC=C(C=C1)C)OCC 1 1.336 2 3 0 -4.27461661105004 258623 CC1=CN=C(C=C1)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 1 4.165 2 3 -2.05824159632621 258605 C1=CC=C2C(=C1)C(=O)N(C2=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.25 4 6 0 -4.72562753155605 258596 C1=CC=C(C=C1)CNC2=C(C(=NC=N2)Cl)N 1 2.109 4 0 0.698958946160257 258457 CC(=O)C1=CC=C(C=C1)CC2=CC=CC=C2 1 3.544 0 1 -4.41565098751321 258441 CS(=O)(=O)C1=CC=C(C=C1)OCC=C 1 1.956 0 3 0 -11.428958309714 258436 CN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1 1 1.365 1 1 0 2.6095832658358 258378 CCOC(=O)CC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C 1 2.175 1 5 -8.82158438786107 258293 COC1=CC(=CC(=C1OC)OC)C(C2=NC3=CC=CC=C3S2)O 1 3.172 1 4 -1.44387329337461 258323 CC1CN(C(CN1S(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)C3=CC=CC=C3 1 2.286 2 4 -10.6365019239664 258233 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CN=CC=C3 1 2.387 3 1 -3.10393836080322 258216 CCOC(=O)NC1=CC=CC2=CC=CC=C21 1 2.85 1 2 -5.04925202027895 258209 C1OC2=C(O1)C=C(C=C2)C=C3C(=O)NC(=O)NC3=O 1 0.632 2 5 0 -8.24717992346935 258011 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)O 1 2.639 1 4 -7.85002177862394 257906 COC1=CC(=C(C=C1)OC)C(=O)C2=CC=CC=C2 1 3.201 0 3 -4.31658477761015 257810 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC(=CC=C4)Br 1 4.706 2 0 5.04962361942108 257798 C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)O 1 3.221 1 1 -0.325684660727433 257599 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)OCC 1 3.011 0 8 0 -14.464903774107 257563 C1=CC=C(C=C1)N=NNC2=CC(=CC=C2)[N+](=O)[O-] 1 3.478 4 2 6.66302362502945 257522 CC(C(=O)O)SC(=S)N1CCOCC1 1 1.858 1 3 0 -10.4645091184376 257521 CC1=CC=C(C=C1)S(=O)(=O)N=S(CCO)CCO 1 0.788 1 4 0 -0.139430473253264 257499 C1CCN(C1)C(=S)SCC(=O)O 1 2.147 1 2 -9.70997693835688 257482 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)O)O 1 1.568 1 5 0 -7.80079333206927 257476 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 0.264 1 5 0 -18.1984916599243 257356 CCCCNC1=NC(=NC=C1[N+](=O)[O-])N 1 0.924 5 2 0 -4.19828500638029 257278 C[C@H]1CC[C@@H]2[C@H]([C@]3([C@]1(CCC3=O)O)C)OC(=O)C2=C 1 1.68 0 4 0 -3.44078434083969 257244 C1=CC(=CC(=C1)Cl)N(CCF)CCF 1 3.457 1 0 -0.233785738343688 257242 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=CS4 1 3.916 2 0 0.762385030079813 257103 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2 1 1.623 1 4 0 -18.0328503653827 257057 CCOC(=O)NCC(C)(C)CNC(=O)OCC 1 1.464 2 4 0 -7.79012101272636 257030 C1CCC(CC1)C(=O)NC2=CC=CC=C2 1 3.076 1 1 0.389700822848702 256762 C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(N3)C4NC5=C(O4)C=CC(=C5)C6=CC=CC=C6 1 6.136 2 2 3.63448573202949 256660 CN(C)C1=CC=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2 1 4.119 3 0 2.43378116873429 256659 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=C(C=C4)O 1 3.715 2 1 6.97494165848609 256658 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=C(C=C4)Br 1 4.706 2 0 5.46040649283232 256656 COC1=CC=CC(=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2 1 3.941 2 1 5.83312410104243 256655 COC1=CC=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2 1 3.941 2 1 4.6821013382028 256654 C1=CC=C(C(=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2)[N+](=O)[O-] 1 3.852 3 2 0.767855356903339 256620 CC1CCCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C1 1 3.214 4 4 0 -6.77721558574371 256617 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O 1 2.244 1 3 -6.1318315205063 256593 C1=CC=C(C=C1)NC(=O)CC(=O)O 1 0.76 1 3 0 -4.99716605423852 256561 CC1=CC=CC=C1N2CCN(CC2)C(=S)C3=CC=C(C=C3)OC 1 4.766 2 1 1.64813159667662 256469 COC1=CC=C(C=C1)C2C3=C(CCN2)NC=N3 1 1.252 3 1 0 -7.2250073283038 256467 C1CNC(C2=C1NC=N2)C3=CC=CC=C3 1 1.268 3 0 0 -7.2643948034199 256466 C1CNC(C2=C1NC=N2)C3=CC=C(C=C3)Cl 1 1.932 3 0 0 -4.99004242857284 256462 COC1=CC=CC(=C1)C2=NN=C(O2)N 1 0.907 3 2 0 3.95723015454529 256368 COC1=CC=C(C=C1)CCC(=O)C2=CC=C(C=C2)OC 1 3.692 0 3 -1.6622131882171 256343 C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(S2)N 1 1.376 4 2 0 -1.8470078957935 256325 CNC(=O)NC1=CC=CC=C1NC(=O)NC 1 6.2e-002 4 2 0 -6.58667472877615 256308 CC1=CN=CC(=C1)C(=O)OC 1 1.02 1 2 0 -4.9419630794792 256230 CCSC1=NC(=CC(=O)N1)O 1 1.242 2 2 0 -10.4461986332519 256212 C1OC2=C(O1)C=C(C=C2)C3NC4=CC=CC5=C4C(=CC=C5)N3 1 3.725 2 2 2.92869725085634 256117 CN1C(=O)C=C(NC1=O)NCC2=CC=CC=C2 1 0.989 3 2 0 -4.49449766909256 256080 CC1=CC2=C(C=C1)NC=CC2=O 1 1.699 1 1 0 -2.67753367439103 255871 C1=CC(=C(C=C1NC(=O)NC2=NC=C(C=C2)[N+](=O)[O-])Cl)Cl 1 3.134 4 3 0 -4.62022915640363 255834 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CNC3=CC=C(C=C3)C(=O)O 1 0.909 5 4 0 -14.004959564266 255817 CC1=C(C=CC2=C1NC3=CC=CC=C23)CCN 1 3.236 2 0 4.27893009024115 255782 C1=CC=C(C=C1)C(=O)NCCCNC(=O)C2=CC=CC=C2 1 1.957 2 2 0 -8.90697748403577 255754 CCCCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C 1 2.562 4 2 -9.07313381654956 255753 CN1C2=C(N=C1SCC3=CC=CC=N3)N(C(=O)NC2=O)C 1 1.425 5 2 0 -7.48985887902059 255653 CC(=O)NC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 1 3.065 1 1 -3.79944519325063 255516 C1=CC=C2C=C3C(=CC2=C1)NC4=CC=CC=C4S3 1 4.576 1 0 0.210072319054849 255410 CC1=CC=CC=C1NC2=NC=NC3=C2C=NN3C 1 2.038 5 0 3.08792008560634 255361 C1=CSC(=N1)NC(=O)C=CC(=O)O 1 0.191 2 3 0 -5.66591968620168 255346 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC(=C(C=C4)Cl)Cl 1 5.286 2 0 6.1427374379078 255330 C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] 1 4.564 6 7 0 -2.96034995087298 255329 C1=CC(=CC=C1C#N)NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C#N 1 4.533 6 3 0 -3.49169131318643 255326 C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4Cl)Cl 1 6.104 4 3 0 -2.02806403475747 255292 C1=CC=C(C=C1)CON2C(=O)C3=CC=CC=C3C2=O 1 2.291 1 3 -2.48458472198776 255290 COC1=CC=CC2=C1NC=C(C2=O)C(=O)O 1 0.786 1 4 0 -5.49423950134849 255219 C1CN(C(=O)N(C1=O)C2=CC=CC=C2)CC3=CC=CC=C3 1 2.659 2 2 -8.11325981307231 255202 C1=CC2=NN=C(N2C=C1)CC3=NN=C4N3C=CC=C4 1 1.177 6 0 0 -6.18850950214841 255085 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=C(C=C4)Cl 1 4.622 2 0 6.91706623793376 255084 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=C(C=C4)F 1 4.163 2 0 5.80694457281219 255082 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)N4C5=CC=CC=C5N=N4 1 4.195 3 2 -1.43439321255921 255081 CN(C)C1=NC=C(C=N1)C(=O)O 1 -0.256 3 2 0 -3.41507777971385 254960 C1C(N=C(O1)C2=CC=CC=C2)(CO)CO 1 0.57 1 3 0 1.83019652609518 254959 CCOC(=O)C(=CNC1=CC=CC=C1Cl)C(=O)OCC 1 2.672 1 4 -1.38354531569753 254875 C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)[O-] 1 1.239 1 2 0 -6.07660552036921 254854 C1=CC=C(C=C1)N2C(=C(N=N2)CO)CO 1 0.673 3 2 0 -1.19532362005191 254793 CC(=O)C1=C(C=CC(=C1)Cl)OC(=O)C2=CC=CO2 1 3.061 0 4 -3.84808533910654 254792 C1=COC(=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl 1 3.196 0 3 4.91857834099625 254791 C1=CSC(=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl 1 3.754 0 2 1.57105185983738 254758 C1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3 1 1.346 5 0 0 4.41135283459101 254728 CCOC(=O)C1=CN=C(C=C1)C(=O)OCC 1 1.516 1 4 0 -9.67500357591447 254722 C1=CC(=CC=C1N)OC(=O)NC2=CC=C(C=C2)O 1 2.181 2 3 1.95665390705069 254642 C1=CC2=C(C=CC(=C2)C=CC3=CC=C(C=C3)N)N=C1 1 3.255 2 0 5.09264222299906 254577 CC1=CC2=NN=C(N2C(=C1)C)C 1 1.35 3 0 0 -4.78752683915137 254566 CC1=NC(=NN1)SCC(=O)O 1 0.395 3 2 0 -8.74067940978255 254510 CCOC(=O)C1=NC(=CC=C1)C(=O)OCC 1 1.944 1 4 0 -7.263576332325 254459 CCCNC(=O)C1=CC=CC=C1C(=O)NC2(CCCC2)C(=O)NCCC 1 2.522 3 3 -15.4181909266477 254365 CC(=O)N1C2=CC=CC=C2C3=NC4=CC=CC=C4N=C31 1 3.405 3 1 -2.63255190147744 254340 C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CS3)O 1 2.552 0 3 -1.44229551680933 254339 C1=CC2=C(C=C1O)C(=O)N(C2=O)C(CCC(=O)N)C(=O)O 1 -0.34 2 6 0 -13.6651808558174 254334 CCOC(=O)NC1=CSN=N1 1 1.026 3 2 0 -8.60713537160018 254285 C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=CN2 1 1.107 2 3 0 -4.95661597311104 254174 COC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)OC 1 3.184 0 4 -1.12464304715171 254143 COC1=CC=CC=C1OC2=CC=CC=C2[N+](=O)[O-] 1 3.268 1 4 -3.8020872226254 254130 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=CC=C2 1 2.645 1 2 -5.24542996350538 254021 C1=CC=C2C(=C1)C3=C(C=C(C=C3)N)C(=O)C2=O 1 2.061 1 2 3.74797638106283 254007 C1=CC=C2C(=C1)C=CC3=NC=C(C=C32)[N+](=O)[O-] 1 2.819 2 2 2.2151617658153 253955 COC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3O2)OC 1 2.931 0 4 -3.35206102106878 253931 CCOC1CCC2=C(N=C(N=C2S1)N)C 1 1.878 3 1 0 -3.12843031170742 253903 CCOCC1=CC(=O)N=C(N1)SC 1 0.837 2 2 0 -10.9268551279687 253891 C1=CC=C(C=C1)CS(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-] 1 2.866 1 5 -7.3441108856318 253834 CN1C(=CC(=O)C2=C1C=C(C=C2)OC)C3=CC=CC=C3 1 3.298 1 2 3.88687840520022 253799 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=CC=CC=C32 1 3.226 1 2 -1.84448775920611 253658 CC(=O)NC1=CC(=CC=C1)OC2=C(C=CC=N2)[N+](=O)[O-] 1 1.793 3 4 0 -5.57000031090016 253602 CC(=O)O[C@@H]1[C@H](CN[C@@H]1CC2=CC=C(C=C2)OC)O 1 0.877 1 4 0 -6.0418825125702 253571 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC4=C(C=C3)OCO4 1 2.219 2 5 0 -8.22290660707428 253501 C1=CC=C(C=C1)NC2=NC(=NC(=N2)NN)NC3=CC=CC=C3 1 1.973 7 0 0 1.02411019661611 253500 CC1=NN=C2N1C(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.33 5 0 0.277022501502324 253364 CN1C=NC(=C1SC2=CC=CC=C2)[N+](=O)[O-] 1 2.599 3 2 -7.87958398545321e-002 253354 C1=CC=NC(=C1)C=NNC(=O)C2=CC=NC=C2 1 0.81 4 1 0 -3.97643425916266 253350 C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N)N 1 0.397 5 1 0 -8.20464856744073 253332 C1=CC(=C(C=C1Cl)C(=O)C=CC2=CC=NC=C2)O 1 2.973 1 2 7.14317282281192 253291 CC1=C(C(=NC(=C1Br)Br)C)Br 1 3.927 1 0 1.65127663595535 253270 C1=C(C(=O)NC(=O)N1)NC(=O)CCl 1 -1.655 3 3 0 -13.7366379912372 253257 C1=CC(=CC=C1CNC(=O)NCC2=CC=C(C=C2)Cl)Cl 1 3.865 2 1 -2.79095941896361 274911 COC1=CC2=C(C=C1)C3CCN4C(N3CC2)CCC4=O 1 1.466 2 2 0 -8.73408058743785 253157 CCOC(CN1C=CC(=O)NC1=O)OCC 1 -0.171 2 4 0 -11.7388092061478 253078 C1=CN=CC=C1C2=C(SC(=C2C3=CC=NC=C3)C4=CC=NC=C4)C5=CC=NC=C5 1 3.545 4 0 2.17429217992437 252929 CC1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C 1 2.379 3 2 -3.7488449978937 252925 C1=CC=C(C=C1)CONC(=O)C2=CC=CC=C2 1 2.467 1 2 -1.5648788255479 252828 C1=CC(=NNC1=O)Cl 1 0.249 2 1 0 -7.70795370164179 252772 CC(=O)NC1=CC2=C(C=C1)NC=C2 1 1.243 2 1 0 -4.25703375332988 252608 C1=CC=C(C=C1)C(=O)NC2=CC3=CC=CC=C3OC2=O 1 2.388 1 3 -8.21160996280467 252606 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 4.144 1 1 -10.659172968914 252557 CN(C)C(=O)NC(C(Cl)(Cl)Cl)O 1 0.833 2 2 0 -2.46323113454126 252491 CC1=CC(=O)N=C(N1)NN=CC2=CC=CO2 1 0.803 4 2 0 -11.2596517686323 252398 CC(=O)CSC1=NC2=CC=CC=C2S1 1 2.579 1 1 -5.94865408509288 252264 COC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CC=C2 1 1.855 2 3 0 -5.86779158057201 252159 CC1=NC2=C(N=CC=C2)N=C1C 1 0.904 3 0 0 0.364010024831057 252056 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=NC=CS4 1 2.344 2 2 -0.155831639503818 252038 CC1=CC(=O)N=C(N1)NN 1 -0.936 4 1 0 -8.15088109236927 252031 CC(C(=O)O)OC(=O)NC1=CC(=CC=C1)Cl 1 2.223 1 4 -2.27745163257912 252022 CC1(CCC2=C(C1=O)C=CC(=C2)OC)C(=O)OC 1 2.583 0 4 1.16325654148055 251901 C1CC1C(=O)NN=CC2=CC3=C(C=C2)OCO3 1 1.545 2 3 0 -7.96031098848527 251877 C1=CC(=CC(=C1)[N+](=O)[O-])C=NN2C=NN=C2 1 0.939 5 2 0 -1.96365186231273 251784 C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)N 1 -3.648 3 6 0 -14.6910101114859 251745 CC1=CC=C(C=C1)S(=O)(=O)N=S(C)C2=CC=CC=C2 1 3.444 1 2 -0.61640831472566 251641 CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=CC=C2 1 2.694 3 2 -9.9696295828578 251561 CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 1 2.744 2 3 -10.0331050562379 251549 C1C2C=CC1C3C2C(=O)N(C3=O)C4=NC=CS4 1 0.684 2 2 0 1.27289479005893 251548 C1CCC2C(C1)C(=O)N(C2=O)C3=NC=CS3 1 1.453 2 2 0 -2.70538685776501 251469 C1=CC(=CC=C1NC2=NC(=NC(=C2C#N)N)N)Br 1 1.697 6 0 0 -1.75953314920663 251379 C1=CC=C2C(=C1)C3=CC=CC=C3C2=NN=C(N)N 1 2.196 4 0 -0.409518434420376 251365 C1=CC=C2C(=C1)C=CC(=N2)C3=CC=CS3 1 3.916 1 0 2.321282261015 251293 CC(C)CCOC1=CC=C(C=C1)C(=O)O 1 3.023 0 3 -4.40658980407951 251270 COC(=O)CNC1=CC=CC(=C1)C(F)(F)F 1 2.288 1 2 -2.51150298225103 251141 C1=CC=C2C(=C1)N=CC(=N2)C3=CC=CS3 1 3.194 2 0 3.98857465667102 251025 C1=CC=C2C(=C1)C=CC(=N2)C=CC(=O)C3=C(C=CC(=C3)Cl)O 1 4.739 1 2 9.07610932887117 250997 COC1=CC(=C(C(=C1)[N+](=O)[O-])N)SSC2=C(C(=CC(=C2)OC)[N+](=O)[O-])N 1 2.801 4 6 0 -2.03240685443962 250957 C(C1=C(N=C(S1)N)O)C(=O)O 1 0.333 2 3 0 -1.20208625189132 250943 C1=C(N=C(N=C1C(=O)N)Cl)C(=O)N 1 -0.232 4 2 0 -1.72562741935935 250855 C1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=CC=C3 1 1.933 2 2 0 2.82398896646581 250770 C1C2=C(C=C(C=C2)N)N=[N+](C3=C1C=CC(=C3)N)[O-] 1 1.635 4 1 0 0.771284674937079 250746 C1=CC=C(C=C1)CN2C(=CC(=O)NC2=O)N 1 0.558 3 2 0 -6.01418768726338 250735 CC(C)CN1C(=CC(=O)N(C1=O)C)N 1 0.372 3 2 0 -8.13922715362945 250709 CN(C)CCC1=NNN=N1 1 -0.111 5 0 0 -2.40317133736449 250687 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O 1 2.422 1 3 -4.56848312937456 250665 C1=CC=C2C(=C1)NC(=N2)C(C(C3=NC4=CC=CC=C4N3)O)O 1 1.958 4 2 0 0.881280401706539 250654 CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C 1 0.945 1 4 0 -8.26069552434771 250649 CCOC(CCC1=C(NC(=NC1=O)NC(=O)C)C)OCC 1 0.595 3 4 0 -13.9242830192178 250648 CC1=C(C(=O)N=C(N1)NC(=O)C)CCC2OCCO2 1 -0.284 3 4 0 -13.9926126911521 250590 CCCCN(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 1 3.427 1 4 -4.91363661560668 250561 CNC(=O)NC1=CC=CC2=C1N=CC=C2 1 1.132 3 1 0 -7.41989071516425 250491 C1C=CCC2C1C(=O)N(C2=O)CC3=CC=CC=C3 1 2.018 1 2 -1.83148163335009 250381 COC1=CC=C(C=C1)NN=NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.462 4 3 0 6.88837344869845 250380 C1=CC=C(C=C1)NN=NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.478 4 2 7.14468551946925 250222 C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)N2C4=CC=NC=C4)O 1 2.645 2 2 -2.3951303038106e-002 250021 C1=CC(=CN=C1)C=NNC2=C(C(=O)NN=C2)Cl 1 -0.278 5 1 0 -6.75556232969861 249995 C1=CC=C(C=C1)OC(=O)NC2=CC(=C(C=C2)O)C(=O)O 1 2.558 1 5 5.1867480146374e-002 249988 C1OC2=C(O1)C=C(C=C2)C=NN3C=NN=C3 1 0.813 4 2 0 -0.88937551923395 249979 CN(C)CC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 4.35 1 1 1.10253200009596 249938 C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C=CC(=O)O 1 2.712 1 3 -1.0015891151622 249759 C1=CC=C(C=C1)OCCCN2C(=O)C3=CC=CC=C3C2=O 1 2.556 1 3 -1.10907039137611 249638 C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NN=C(N)N 1 2.43 4 1 3.92776731914074 249471 CC(CC1=CC=CC=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 2.773 2 3 -14.9908600909649 249414 CCN1C2=C(C=C(C=C2)NC(=O)C)C3=CC=CC=C31 1 2.998 2 1 -1.14813909482748 249307 C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C5=NCCN5 1 2.638 6 2 0 -11.2206052469628 249238 CC(=O)CC(=O)NC1=NC=CC=N1 1 -0.397 3 2 0 -7.17621586847947 249139 C1=CC(=CC=C1C=NN=C(N)N)C#N 1 0.742 5 0 0 2.13919593866084 249097 C1=CC=C2C(=C1)NC(=N2)C3=NC4=CC=CC=C4N3 1 3.192 4 0 3.14582124225124 249066 CC(=NN=C(N)N)C1=CC=CC=C1 1 0.844 4 0 0 -0.277283614132174 248998 CCOCCC1=C(N=C(NC1=O)SC)O 1 1.327 2 3 0 -11.750369740487 248943 CCOC(=O)C(C(C)C)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C 1 3.349 3 4 0 -28.7296150032187 248840 CCOC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O 1 1.958 1 6 0 -11.0564554745818 248787 CC(=O)NC1=CC(=CC=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.069 2 4 -2.57061205140192 248786 C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C=O 1 2.938 2 6 0 -2.96414675542629 248776 C1C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-] 1 5.075 3 2 -6.3241991220826 248719 C1=CC=C(C=C1)C=CC2=NN=C(C=C2)C=CC3=CC=CC=C3 1 5.041 2 0 1.17436985730284 248711 COC1=C(C(=O)N(N=C1)C2=CC=CC=C2)SCC3=CC(=C(C=C3)Cl)Cl 1 4.324 2 2 -4.40428943458919 248680 CCOC1=C(C(=O)N(N=C1)C2=CC=CC=C2)Cl 1 1.883 2 2 0 -1.72381635487535 248673 C1CCN(CC1)C2=C(C(=O)NN=C2)Cl 1 0.752 3 1 0 -7.965271229651 248580 C1CC2=CC=CC=C2NC(=O)C1 1 1.731 1 1 0 -4.77711412804662 248473 CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)O 1 -0.896 4 4 0 -13.5889646185678 248466 COC1=C(C2=CC=CC=C2C(=C1)N=NC3=CC(=CC=C3)S(=O)(=O)N)N 1 3.049 4 3 0 0.484760179347255 248404 C1=CC=C(C(=C1)C=NN=C(N)N)Cl 1 1.528 4 0 0 6.56861532867919 248400 C1=CC(=C(C=C1Cl)Cl)C=NN=C(N)N 1 2.192 4 0 8.79612496815517 248387 CC1=C(C(=O)N=C(N1)N)CC=C 1 0.524 3 1 0 -11.2893412849122 248360 C1=CC(=CC=C1CSCC(=O)O)Cl 1 2.524 0 2 -6.75522432181227 248346 C1=CC=C(C=C1)CSC2=NC=NC3=CC=CC=C32 1 4.052 2 0 -2.0827015979088 248050 C1=CC=C(C=C1)C2=C(N=C(C(=O)N2)[N+](=O)[O-])C3=CC=CC=C3 1 2.407 3 3 -4.37383432056149 248040 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 4.276 2 1 -4.93164813963002 247958 CC1=C(OC2=CC=CC=C2C1=O)O 1 2.273 0 3 2.03491876837223 247951 C1CNC(=NC1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NCCCN4 1 1.222 6 1 0 -10.4656076761863 247872 CCCC(=CC1=NC=C(C=C1)CC)C 1 4.363 1 0 -3.33970914886382 247869 CCC1=CN=C(C=C1)C=C(CC)CC 1 4.363 1 0 -0.543549561230523 247832 CCOC(=O)CNC1=CC=CC(=C1)C(F)(F)F 1 2.636 1 2 -2.41172701477354 247817 C1=CC=C2C(=C1)C(=O)N(C2=O)CCOCCN3C(=O)C4=CC=CC=C4C3=O 1 1.412 2 5 0 -4.03373392566216 247799 CCCOC(=O)NC1=C(C=C(C=C1)[As](=O)(O)O)NC(=O)OCCC 1 2.746 2 7 0 -6.21567712212569 247737 COC1=CC=C(C=C1)C(=CC2=CC=CC=N2)C#N 1 2.916 2 1 -4.22388460076592 247736 COC1=CC=C(C=C1)C(=CC2=CN=CC=C2)C#N 1 2.488 2 1 -6.49100815540425 247570 C1CN(CCN1CC(C2=CC=CC=C2)O)C3=CC=CC=C3 1 3.022 2 1 1.6310977607613 247486 C1=CC2=C(C=CC3=C2N=CN3)C=C1O 1 2.011 2 1 5.29565721005187 247443 CCOC(=O)C1=C(C=C(NC1=O)C)C 1 0.8 1 3 0 -15.1348502968888 247440 CC1=CC(=C(C(=O)N1)C#N)C(F)(F)F 1 0.931 2 1 0 -7.23768995123724 247404 CC1=CC=CC2=C1N=C3C(=CC=CC3=C2)C 1 4.325 1 0 2.34323899729018 247304 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)O 1 3.596 0 3 -6.67264187180407 247251 C1=CC(=CC=C1C2=NC3=C(N=C2C4=CC=C(C=C4)N)N=C(N=C3N)N)N 1 1.678 8 0 0 2.75184073249371 247228 C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC(=C5)C6=NC7=CC=CC=C7N6 1 6.28 6 2 0 1.68355245166429 247216 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 1 2.652 1 3 -14.201483941191 247215 CC1=CC=CC(=C1)C(=O)N2CCCCCC2 1 3.103 1 1 -4.33122340605838 247212 COC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 1 2.304 1 3 -13.435260789483 247209 COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 1 1.847 1 3 0 -13.435260789483 247203 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.302 2 4 0 -14.7710854735052 247102 C1=CC(=CC=C1C(=O)CC2C(=O)N=C(S2)N)Cl 1 2.403 2 2 -6.62398260453001 246914 CC1=CC(=O)N2C(=N1)N=NN2 1 0.605 5 1 0 -6.54045962152049 246853 CCCCOC1=NC=C(C=C1)NC2=C(C=CC(=C2)Cl)C(=O)O 1 4.375 2 3 0.474922888081886 246851 C1=CC=C2C(=C1)C(=CN2)C=C(C#N)C(=O)N 1 1.432 3 1 0 -5.17719064590775 246835 CCCCCC(=O)N1CCCC1 1 2.076 1 1 -9.25648665361228 246831 CCCCCC(=O)N1CCCCC1 1 2.532 1 1 -9.61095516778035 246783 COC1=NC=C(C=C1)NC2=C(C=CC(=C2)Cl)C(=O)O 1 3.046 2 3 -0.514204261645165 246764 C=CCC1=CC=CC=C1OCC(=O)O 1 2.303 0 3 -9.54869510028212 246750 C1=C(N=C(NC1=O)NC#N)O 1 -0.38 4 2 0 -9.10295392343851 246732 C1=CC(=C(C=C1Cl)Cl)C=NNC(=O)C2=CC=NC=C2 1 2.861 3 1 -1.54816364271417 246730 C1=CC=C(C(=C1)C=NNC(=O)C2=CC=NC=C2)Cl 1 2.197 3 1 -3.77567328219015 246666 C1=CC(=C(C2=C1C(=O)C3=C(C2=O)C=CC(=C3Cl)N)Cl)N 1 2.644 2 2 2.32972485532195 246651 CN1CCN(CC1)C(=O)C=CC2=CC=C(O2)[N+](=O)[O-] 1 1.083 3 4 0 -1.22571683890607 246638 C1CCC(CC1)OC2(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4 1 4.927 0 3 -3.36059723541886 246619 CC(C)OC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3 1 3.796 0 3 -4.39962534475847 246565 C1=CC=C(C=C1)COC(=O)NC(CC(=O)N)C(=O)O 1 0.319 2 5 0 -13.1923356957012 246560 CCOC1=CC=C(C=C1)NC(=O)C2CCC(C2(C)C)(C)C(=O)O 1 3.012 1 4 -3.54162393294864 246555 CC1=CC=CC=C1NC(=O)C2CCC(C2(C)C)(C)C(=O)O 1 3.166 1 3 -4.28920250465348 246547 CN1CN(C(=C1C2=CC=NC=C2)C3=CC=NC=C3)C 1 0.857 4 0 0 -1.24363178337879 246527 CC1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)C)O 1 3.735 0 2 -2.16757554338036 246466 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NN 1 0.955 3 1 0 -4.84727140912621 246421 CSC1=NC(=C(C(=O)N1)NC2=CC(=CC=C2)Cl)O 1 2.647 3 2 -2.70745565179216 246300 CC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2 1 2.396 2 2 -2.19321208185336 246222 C1=CC=C(C=C1)CC2=C(ONC2=O)N 1 0.769 2 2 0 -4.10835347218818 245966 CC1=C(C(=NC(=N1)Cl)N(C)C2=CC=CC=C2)[N+](=O)[O-] 1 2.741 4 2 1.54156246574007 245882 C1=CC=C2C(=C1)C=C3C(=N2)C4=CC=CC=C4C3=O 1 3.537 1 1 3.84735507155553 245839 CC1=CC(=C(C=C1)NCN2C(=O)C3=CC=CC=C3C2=O)C 1 3.274 2 2 -4.40599465101021 245812 CCOC(=O)C(CC1=CC=CC=C1)(C(=O)OCC)NC(=O)C 1 1.702 1 5 0 -7.20836737067148 245734 CN(C)C1=CC=C(C=C1)CN2CCCCC2 1 2.982 2 0 0.930329876422577 245687 CC(=O)NC1=CC(=NC=N1)NC(=O)C 1 -0.63 4 2 0 -3.06326736338208 245648 C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3 2 3 -9.40399309168577 245581 C1=CC(=CC=C1C=C(C#N)C#N)C=C(C#N)C#N 1 2.201 4 0 -0.774784220112696 245561 CC1=C(C=CC(=C1)NC(=O)OC(C)C)C2=C(C=C(C=C2)NC(=O)OC(C)C)C 1 5.3 2 4 -3.50283829641796 245554 COC1=CC=C(C=C1)C(=O)CCC2=CC=CC=C2 1 3.708 0 2 -1.65070915077915 245552 CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=CC=C3 1 2.616 2 1 -3.07124672295424 245550 CCOC(=O)CC(=O)NC(C)(C)CCCCC(C)(C)NC(=O)CC(=O)OCC 1 2.055 2 6 0 -11.0592187530937 245504 C1=CC=C(C=C1)C2NC(=O)C3=CC=CC=C3O2 1 2.623 1 2 -2.16592253531088 245369 CCCCN1C(=C(CC1=O)C(=O)OCC)C 1 1.455 1 3 0 -10.3322233165263 245368 CCOC(=O)C1=C(N(C(=O)C1)CC(C)C)C 1 1.319 1 3 0 -12.0803774036926 245299 CC1=NC=CN=C1SC2=CC=CC=C2 1 2.468 2 0 -1.78794738151791 245295 C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O)N=C1 1 1.563 3 5 0 -0.187972859918378 245216 C1=CC=C(C=C1)NC2=CC(=CC=C2)NC3=CC=CC=C3 1 4.93 2 0 1.86258600387017 245201 CNC1=C(C(=O)N(C(=N1)SC)C)N=O 1 0.823 4 2 0 -6.31750208279119 245011 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCC(=O)O 1 2.414 1 3 -16.6554830166777 244989 CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4C)N 1 -1.011 4 5 0 -5.1823437291791 244898 CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1[C@H]4[C@@H]3C=C(C4=O)OC)OC)OC)OC 1 1.497 1 6 0 -10.8621373768653 244797 C=CCOC(=O)C=CC(=O)NC(=O)N 1 3.3e-002 2 4 0 -9.7979027072091 244741 COC1=CC=C(C=C1)C2CN=NC2C(=O)C3=CC=CC=C3 1 3.783 2 2 -1.06953589388967 244716 CCOC(=O)C(C(C1=CC=C(C=C1)OC)C(C(=O)C)C(=O)OCC)C(=O)C 1 1.926 0 7 0 -5.75948602207057 244677 C1=CC=C2C(=C1)C(=CC=C2Cl)C(=O)N 1 2.405 1 1 0.107733011180173 244635 C1=CC(=CC=C1C2=CSC(=N2)NC3=NC(=CS3)C4=CC=C(C=C4)Br)Br 1 6.127 3 0 7.4244157166472 244634 C1=CC(=CC=C1C2=CSC(=O)N2)Cl 1 2.209 1 1 0.496192530470624 244593 CC(C)CNC(=O)C=CC(=O)O 1 0.809 1 3 0 -7.36895510551196 244522 COC1=CN=C(N=C1NC2=CC=C(C=C2)C#N)SC 1 2.428 4 1 -0.77834852389572 244418 COC1=CC=C(C=C1)C(=O)C2CCCCC2=O 1 2.678 0 3 -4.33087599832166 244386 COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)OC)O 1 2.619 0 6 3.40976647819347 244359 C1CN(CCN1C2=CC=CC=N2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.791 3 1 -7.17585623096479 244336 CC1=CC=C(C=C1)NC2=C(C(=O)N=C(N2)N)N=O 1 1.546 5 2 0 -5.21233317511372 244300 C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N)C(=O)NC3=CC=C(C=C3)N 1 1.906 4 2 0 -4.17295046027542 244162 CC1=CC=C(C=C1)C(=O)CCC(=O)O 1 1.901 0 3 0 -4.44601431477262 244136 CCCCCCCCCCCC(=O)NC1CCS(=O)(=O)C1 1 3.654 1 3 -17.882715773008 244132 CC12CCC(CC1=CCC3C2CCC4(C3CC(=CN5CCCC5)C4=O)C)O 1 3.733 1 2 -13.6737467819837 244120 CC1=CC=C(C=C1)NC(=O)NCCN2CCN(CC2)C(=O)NC3=CC=C(C=C3)C 1 2.846 5 2 0 -9.09739582903058 244118 COC1=CC=CC=C1NC(=O)NCCN2CCN(CC2)C(=O)NC3=CC=CC=C3OC 1 1.841 5 4 0 -13.7971726347375 244086 COC1=C(C2=C(C=C1)C(=O)C=C(O2)C3=CN=CC=C3)OC 1 1.953 1 4 0 -0.261955570893757 244028 C1COC(=N1)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.658 2 3 0 -3.47732861138876 243973 C1=CSC(=C1)C2=CSC(=N2)N 1 1.98 2 0 0 4.92674530944255 243907 C1=CC=C(C=C1)C2=NC=CN=C2C3=CC=CC=C3 1 3.422 2 0 3.86768659643377 243725 CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC 1 4.059 0 6 -5.76449783171531 243452 C1=CN=CC=C1C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 0.946 4 4 0 -5.18361164863506 243414 C1=CC=C2C(=C1)N=NN2CCC#N 1 1.619 4 0 0 -8.96001394962476 243391 C1=CC=C(C=C1)NC2=NC3=CC=CC=C3O2 1 2.81 2 1 2.52542345140469 243332 CC1(C(=O)NC(=O)N1)C2=CC(=CC=C2)Br 1 1.618 2 2 0 -3.84357610510722 243149 CC12CCC3C(C1CCC2O)CCC4C3(CC5=C(C4)NC6=CC=CC=C56)C 1 5.494 1 1 -8.35000946092324 243064 CC1C(C(=O)NC(=O)N1CC2=CC=CC=C2)Br 1 1.951 2 2 0 -5.17130237008911 243038 C1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.118 1 3 -6.33476218311224 243033 C1=CC=C2C(=C1)C=CC3=NN=NN32 1 0.957 4 0 0 -7.7026685565738 242973 C1=CC=C2C(=C1)NC(=N2)CCCC3=NC4=CC=CC=C4N3 1 3.718 4 0 0.13708137252274 242962 C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4N3 1 3.038 2 2 5.12594399797575 242935 C1CC(=O)NN=C1C2=CC=CC=C2 1 1.049 2 1 0 -8.69699324501855 242934 C1COCCN1CC(=O)NN=CC2=CC=CO2 1 0.108 3 3 0 -7.82274194654771 242889 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)F 1 2.82 1 1 -4.12840993245322 242888 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)F 1 2.82 1 1 -3.1466755188128 242867 C1=CC=C2C(=C1)C(=CN2)CC3C(=O)NC(=O)N3 1 1.173 3 2 0 -10.2344846477451 242789 COC1=CC2=C(C=C1)N(CCC2)C(=NC3=CC=C(C=C3)Cl)N 1 3.962 3 1 0.495436285552372 242776 C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N=CN2 1 0.644 3 3 0 -4.53210230157516 242755 C1=CC2=C(C=CC(=C2N=C1)[N+](=O)[O-])Cl 1 2.575 2 2 -0.143604441387275 242571 C1=CC=C(C=C1)SC2=NC=NC3=CC=CC=C32 1 4.045 2 0 4.39724296032821 242586 C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=NC=C3 1 1.985 1 2 0 1.97614858104878 242587 COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CN=CC=C3)OC 1 1.953 1 4 0 -3.01468022419178 242589 COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=CC=C2)O 1 3.427 0 4 0.521084436117226 242605 C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)O 1 3.596 1 1 9.99109317839543 242436 CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)O)OC)OC)OC 1 2.744 1 5 -5.96714145884569 242300 CSC1=NC(=O)C=NN1 1 0.473 3 1 0 -8.73894964991822 242279 C1=CC=C(C(=C1)NC2=CC=CC=N2)O 1 2.526 2 1 5.49239859123527 242249 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.175 2 4 -2.47378661601183 242230 CC1=CC(=NC2=C1C(=NC(=N2)N)SC(C)C)C 1 2.783 4 0 -4.24275810085196 241911 C1=CC(=C(C=C1[As](=O)(C2=CC(=C(C=C2)O)[N+](=O)[O-])O)[N+](=O)[O-])O 1 2.548 2 8 0 2.66558934147918 241907 C1=CSC(=C1)[As](=O)(C2=CC=CS2)O 1 2.578 0 2 -0.84529970225553 241893 C1=CC(=CC=C1CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N)[N+](=O)[O-] 1 0.66 6 6 0 -18.102553410757 241827 CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)OC 1 1.543 4 1 0 2.49058930381089 241788 C1=CC=C(C(=C1)C(=O)C=CC2=CN=CC=C2)O 1 2.309 1 2 2.33314906895642 241725 C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)NC3=CC=CC=C3 1 4.419 2 1 -8.65469904218461 241616 C1=CC=C(C=C1)NCN2C(=O)C3=CC=CC=C3C2=O 1 2.301 2 2 -5.24593793927263 241512 C1CNC2=C(N1)C=CC(=C2)C3=CC=CC=C3 1 2.784 2 0 -7.97657028310991e-002 241488 C1=CC=C2C(=C1)N=C(C(=N2)N)N 1 0.879 4 0 0 0.615428551204158 241440 C1=C(C(=O)NC(=O)N1)N(CCO)CCO 1 -2.32 3 4 0 -7.48169657662978 241244 C1=CC=C2C(=C1)C=CC(=C2CNC3=CC=CC=C3[N+](=O)[O-])O 1 3.783 2 3 4.20994430828412 241200 C1=CC=C2C(=C1)C=CC(=C2CN)O 1 1.602 1 1 0 5.09848470390601 241166 C1=CC=C(C(=C1)CSC2=NC=CC(=O)N2)Cl 1 2.702 2 1 -10.5068076440086 241146 C1C2(COC(O1)C3=CC=CC=C3)COC(OC2)C4=CC=CC=C4 1 2.672 0 4 -0.44096208180524 241106 CCC(CC)C1=NC=CN1 1 2.019 2 0 -3.26716889033392 240967 COC1=CC=CC=C1C(=O)CC(=O)C2=CC=CC=C2 1 3.138 0 3 -2.77419411533675 240933 C1=CC=C2C(=C1)C=CC(=C2CNC3=CC=C(C=C3)Br)O 1 4.637 1 1 6.27181035119077 240876 CC1=CN=C(NC1=O)SCC2=C(C=C(C=C2)Cl)Cl 1 3.813 2 1 -7.76356221223478 240872 CC(=NNC(=O)C1=CC=NC=C1)C2=CC=C(C=C2)OC 1 1.496 3 2 0 -8.09293316275659 240843 C1COCCN1CC2=CC=CS2 1 1.331 1 1 0 -1.44180250383684 240841 C1=CC=C(C(=C1)NC2=CC(=O)N=C(N2)N)Cl 1 1.774 4 1 0 -5.38667750036038 240805 C1=CC=C(C(=C1)NC2=CC(=NC(=N2)N)Cl)Cl 1 3.452 4 0 0.937320443931993 240802 C1=CC=C(C=C1)C2=CC(=NC(=N2)N)Cl 1 2.646 3 0 0.687486081158256 240712 CC1=CSC(=S)N1C2=CC=CC=C2 1 3.611 1 0 -3.38031051441237 240675 CCC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC 1 3.787 0 3 -9.4478615948539 240446 COC1=C(C2=C(C=C1)C(=O)CC2)OC 1 1.862 0 3 0 -4.22227093444481 240350 CC1=C(C=C(C=C1)C(C)C)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 4.097 3 3 -6.02667282140574 240345 C1COCCN1CC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.264 1 1 -6.66102445421523 240168 CCOC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(C)C)C 1 4.535 2 2 -5.11146439490067 240167 CC1=C(C=C(C=C1)C(C)C)NC(=O)NC2=CC=CC=C2OC 1 4.186 2 2 -7.22016451345969 240161 C1CCC(CC1)C(=O)NCC2=CC=CO2 1 2.265 1 2 -8.85934213334866 240099 CCCC(=O)N(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3 1 3.41 3 2 -4.81957653470085 240065 CCOC1=CC=C(C=C1)NC(=O)NCC2=CC=CO2 1 2.043 2 3 -7.82572345603175 240010 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCC(C(=O)O)N3C(=O)C4=CC=CC=C4C3=O 1 2.258 2 6 0 -13.6653197414125 239941 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NCC2=CC=CO2 1 1.605 3 4 0 -8.79994805614947 239940 C1=COC(=C1)CNC(=O)NC2=CC=C(C=C2)Br 1 2.459 2 2 -6.28119514969421 239922 CSC1=NC(=O)C=C(N1)Cl 1 1.47 2 1 0 -6.33640825619574 239838 CC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)N)C)S(=O)(=O)N 1 3.13 4 2 1.48528747943931 239750 C1=CC=C(C(=C1)N)OCCOCCOC2=CC=CC=C2N 1 1.821 2 3 0 -3.33476361060185 239732 CCN1CC2C3CCC(C2C1)(O3)C 1 0.818 1 1 0 0.162138879513027 239709 COC1=CC=CC=C1NC(=O)NCC2=CC=CO2 1 1.695 2 3 0 -11.4028818941887 239679 C1=CC=C(C(=C1)NC(=O)NCC2=CC=CO2)Cl 1 2.375 2 2 -7.87050287520727 239538 CCOC(=O)C1=NN(C=C1O)C2=CC=CC=C2 1 2.447 2 3 1.8234674019979 239526 C1=CC=C(C=C1)NC(=O)NC2=CC3=CC=CC=C3C=C2 1 3.431 2 1 -0.665153561340633 239525 C1=CC=C(C=C1)NC(=O)NC2=CC=CC3=CC=CC=C32 1 3.431 2 1 -4.60463700252623 239465 C1=CC(=C(C=C1Cl)Cl)CSC2=CC=NC(=O)N2 1 3.828 2 1 -5.65923489377036 239319 CC1=NC2=CC=CC=C2N=C1N3CCOCC3 1 1.345 3 1 0 0.368043156181062 239233 C1C(NC(=O)NC1=O)C2=CC=CC=C2 1 0.7 2 2 0 -7.03170940555442 239202 C1=CC2=C(C=C1Cl)NC=NC2=O 1 1.414 2 1 0 -0.855042167472185 239155 CN(C)C1=CC=C(C=C1)C(=NO)C2=CC=CC=C2 1 3.463 2 1 -2.89431338641117 239043 CN1C=NC(=C1N=C(N)N)[N+](=O)[O-] 1 -0.554 6 2 0 -2.22163333509248 239013 CCOC(=O)C(CCCOC1=CC=CC=C1)C(=O)OCC 1 3.075 0 5 -6.09190068518486 238991 CC(C)OC(=O)NC1=CC(=C(C=C1)C2=C(C=C(C=C2)NC(=O)OC(C)C)Cl)Cl 1 5.657 2 4 -1.72033168310835 238934 C1=CC(=C2C(=C1)SC(=N2)N)[N+](=O)[O-] 1 1.603 3 2 0 0.793069798964121 238933 CCOC(=O)C1=CNNC1=O 1 -1.12 2 3 0 -6.45641833158707 238899 C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)Cl 1 3.469 2 1 -4.68736486386729 238895 CCOP(=O)(C(C1=CC2=C(C=C1)OCO2)O)OCC 1 1.204 0 6 0 -4.76697308307098 238802 C1=CC=C(C=C1)C2=CC(=C(O2)C3=CC=CC=C3)P(=O)(O)O 1 3.717 0 4 3.77979710014144 238782 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3 1 2.615 0 4 4.47528773435241 238775 C1=CC=C(C=C1)C=C=NC(=O)C(=O)C=C=NC2=CC=CC=C2 1 3.843 2 2 0.858534805813296 238745 CC1=C(C(=NC(=N1)N)NC2=CC=C(C=C2)C#N)Br 1 2.187 5 0 -1.12011311766931 238674 CCOP(=O)(C(C1=CC=CC=C1)O)OCC 1 1.436 0 4 0 -5.39136720976606 238627 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-] 1 5.247 1 3 -1.95504682415203 238626 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.647 1 3 0.357575318294464 238625 CC(=O)C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)C 1 3.284 0 2 -4.70868244956145 238615 COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC 1 2.899 0 4 -6.51468874123738 238532 C1=CC=C(C=C1)CC(=O)NNC(=O)CC2=CC=CC=C2 1 1.941 2 2 0 -6.33183401711253 238499 CC(=O)CCN1CCOCC1 1 -0.163 1 2 0 -5.68766653967528 238492 C1CCN(C1)C2=NC3=CC=CC=C3N=C2N4CCCC4 1 2.378 4 0 2.63690181220167e-002 238491 CC1=NC2=CC=CC=C2N=C1N3CCCCC3 1 2.575 3 0 1.95712927889383 238490 CC1=NC2=CC=CC=C2N=C1N3CCCC3 1 2.119 3 0 2.31159779306191 238432 C1CCN(C1)CCC2=CC=NC=C2 1 1.535 2 0 0 4.04260573291392 238307 CCCCCC1=CN=CC=C1 1 2.99 1 0 -2.54033291240377 238285 CC(CCC1=CC=C(C=C1)OC(=O)C)OC(=O)C 1 2.527 0 4 -2.84109162717201 238244 C1=CC(=CC=C1N)[As](=O)(C2=CC=C(C=C2)N)O 1 1.75 2 2 0 1.46505121473217 238243 C1=CC=C(C=C1)[As](=O)(C2=CC=CC=C2N)O 1 2.497 1 2 2.5438207917262e-002 238147 C1CC(=O)NC1C(=O)NC2=CC=CC=C2 1 0.4 2 2 0 -9.90639276042926 238053 CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)O CS(=O)(=O)O 1 3.875 1 1 -5.26905595925902 238013 C1=CC(=CC=C1NC2=NC(=NC(=C2)N)N)Br 1 1.818 5 0 0 2.39047466621958 237991 C1=CC(=CC(=C1)[As](=O)(C2=CC=CC(=C2)O)O)O 1 2.759 0 4 2.32570983959959 237953 CC1=CN(C(=O)NC1=O)CC2=CC=CC=C2 1 1.224 2 2 0 -5.11121129537357 237930 CCCCSC1=NC(=NC(=C1)C)N 1 2.517 3 0 -2.98769560178319 237923 CCCCSC1=NC(=O)C=C(N1)C(=O)O 1 1.642 2 3 0 -12.6483431351292 237811 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.311 4 5 0 -5.02278464602896 237780 CC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)C)O)O 1 1.105 2 4 0 1.22004763567427 237729 CC1=C(C=C(C=C1)NC(=O)CNC2CCCCC2)Cl 1 3.429 2 1 -2.98871408596758 237691 CC(=O)NC1=CC(=CC=C1)[As](=O)(C2=CC=CC(=C2)NC(=O)C)C3=CC=CC(=C3)NC(=O)C 1 2.374 3 4 0 -3.62315302377092 237673 C1=CC=C(C=C1)[As](=O)(C2=CC=CC(=C2)N)O 1 2.497 1 2 1.85568464559863 237672 C1=CC=C(C(=C1)O)[As](=O)(C2=CC=C(C=C2)O)O 1 2.759 0 4 4.21642816618717 237671 C1=CC=C(C=C1)[As](=O)(C2=CC=C(C=C2)O)O 1 3.001 0 3 2.66320836950931 237591 CC1=NC2=CC=CC=C2C(=O)N1N 1 0.337 3 1 0 -6.87176310491154 237637 CCCCSC1=CC(=O)NC(=N1)N 1 1.594 3 1 0 -9.96074051853217 237629 CCCSC1=CC(=NC(=N1)N)Cl 1 2.652 3 0 -4.83611601116842 237627 CCSC1=CC(=NC(=N1)N)Cl 1 2.128 3 0 -3.50025653956397 237621 CC1=C(C=CC(=C1)OC)CCCC(=O)O 1 2.876 0 3 -5.78125752702987 237579 C1CN(CCN1C(=O)C2=CC(=CC=C2)Br)C(=O)C3=CC(=CC=C3)Br 1 3.622 2 2 -3.07652446160462 237481 C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C(=O)O 1 2.138 2 5 0 -8.7175119690566 237409 C1=C(N=C(N=C1N)CS)N 1 -0.109 4 0 0 -1.1258284442462 237195 COC1=C(C=C(C=C1)CN2CCOC2=O)OC 1 1.592 1 4 0 -11.3996241132323 237172 CC1=CC=C(C=C1)C2=CSSC2=S 1 3.868 0 0 0.422974118118571 237119 CN(C1=CN=CC=C1)C2=NC=NC3=C2C=NN3 1 0.401 6 0 0 -5.17290102643849e-002 237118 CN(C1=CC=CC=N1)C2=NC=NC3=C2C=NN3 1 0.94 6 0 0 -0.982508586000502 237084 CC1=C(C=CC2=C1N=C(C=C2C(=O)O)C3=CC=CC=C3)Cl 1 4.743 1 2 1.54370993541456 237065 COC1=CC=C(C=C1)NC2=CC=CC3=CC=CC=C32 1 4.272 1 1 2.68572087978984 237061 CC1=CC2=C(C=C1)NC3=C(S2)C4=CC=CC=C4C=C3 1 5.063 1 0 0.972829746128876 236985 C1=CN=C(C=C1C(=O)O)Cl 1 1.182 1 2 0 -7.00152115699594 236933 COC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)Cl 1 4.241 1 3 2.55473526540847 236902 C1=CC2=C(C(=C1)C(=O)O)C(=O)C3=C4C2=NSC4=CC=C3 1 3.192 1 3 1.20107030891709 236836 C1COCCN1C2=C(C(=NC=N2)N)N 1 -0.514 5 1 0 -1.98781516528532 236781 C1=CC(=CC=C1OCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)O 1 1.862 0 8 0 -12.3729197380565 236769 CCOC(=O)C1=C(OC2=CC3=C(C=C21)OC(=C3C(=O)OCC)C)C 1 3.136 0 6 -9.92662221103991 236716 C1=CC=C(C=C1)C(=O)NCC2=CC=CO2 1 1.803 1 2 0 -9.97682590420655 236696 CC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.734 2 0 1.02019066349953 236656 CN1CCN(CC1)C(=O)NC2=CC=CC(=C2)C3=CC=CC=C3 1 2.627 3 1 2.94370848626271 236654 CC(C)OCCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl 1 2.019 1 3 3.95220444877854e-002 236653 COCCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl 1 1.293 1 3 0 1.29772989267659 236650 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCCCO 1 0.884 1 3 0 5.9162585086249 236501 C1=CC(=CC=C1C(=O)N)OC2=CC=C(C=C2)C(=O)N 1 1.394 2 3 0 -2.38394552912353 236431 CC(=O)NC1=CC=C(C2=CC=CC=C21)Br 1 2.607 1 1 -5.02569786986511 236401 C1=CC=C(C=C1)CSC2=NC3=NC=NC=C3N2 1 2.429 4 0 -4.23008213427481 236331 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)CCC(=O)O 1 0.572 2 4 0 -9.23761724056096 236319 C1=CC=C2C(=C1)N=C(S2)C3=CC=NC=C3 1 2.688 2 0 8.78935713867951 236280 CC1=NC2=C(C=C(C=C2)Cl)N=C1C 1 2.523 2 0 2.34866690473475 236275 C1=CC=C2C(=C1)N=C(C(=N2)C3=CC=CO3)C4=CC=CO4 1 3.978 2 2 5.23949898389228 236274 COC1=NC2=CC=CC=C2N=C1OC 1 2.339 2 2 0.254741729620495 236273 C1CCC2=NC3=CC=CC=C3N=C2C1 1 2.821 2 0 0.540766168589635 236268 CC1=NC2=C(C=C(C=C2)C(=O)O)N=C1C 1 1.489 2 2 0 -2.79113496501104 236243 CCOC(=O)C(=O)CC1=NC2=CC=CC=C2S1 1 2.435 1 3 -0.262999563458699 236228 CCN(CC)C(=O)NC1=CC=CC=C1C 1 2.336 2 1 -6.27891007969098 236222 C1=CC=C(C(=C1)NC(=O)NC2=CC=CC=C2Cl)Cl 1 3.851 2 1 -4.09333946508677 236210 CC(C1=CC=CC=C1)(C(C2CCCCN2)C3=CC=CC=C3)O 1 3.551 1 1 -4.08344133839229 236183 C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)Br 1 -1.998 2 6 0 -13.6598490198727 236126 CC1=CC=C(C=C1)S(=O)(=O)ON=C2CCCC3=CC=CC=C32 1 4.249 1 3 -1.98578101586899 236027 CC1=CC(=CC(=C1NC(=O)C)C)OCC(=O)O 1 1.387 1 4 0 -9.82670329900675 236003 C1=CC=C2C(=C1)C(=O)C=C(N2)C3=CC=C(C=C3)Cl 1 3.625 1 1 0.337816330281597 235997 CCOC(=O)C(CO)(C(=O)OCC)NC(=O)C 1 -0.743 1 6 0 -6.65687993282434 235981 CCCC1=CC(=C(C(=C1)C(=O)N)OCC=C)CCC 1 4.229 1 2 -4.21910880380777 235856 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C5=CC=CC=C5)C(=O)CO)CCC6=CC(=O)C=C[C@@]63C)F)O 1 2.78 0 6 -1.05346879318508 235837 C1CCC(CC1)NC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.562 1 2 -0.997215973560838 235811 C1CN(CCN1C(=O)NC2=CC=CC(=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C5=CC=CC=C5 1 4.978 4 2 1.17735161558293 235809 C1CCC(CC1)C(=O)N2CCN(CC2)C(=O)C3CCCCC3 1 3.049 2 2 -4.31602592867303 235802 C1=CN=C(N=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.251 4 3 0 -8.39023040420998 235719 C1=CC(=C(C=C1CC(C(=O)O)N)[N+](=O)[O-])O 1 -1.953 2 5 0 -0.541026358029875 235702 C1=CSC(=C1)C2=NNN=N2 1 1.252 4 0 0 -2.83098735274326 235621 C1=CC=C2C=C(C=CC2=C1)OCCOCCOC3=CC4=CC=CC=C4C=C3 1 5.131 0 3 1.13549224239471 235531 CCC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)F 1 1.599 2 2 0 -4.09480064736113 235529 CC1=C(C=C(C=C1)N)S(=O)(=O)N(C)C 1 0.686 2 2 0 -4.85126756561273 235528 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)N 1 0.686 2 2 0 -5.98510116923736 235521 CC1=C(C=C(C=C1)N)S(=O)(=O)NC 1 0.48 2 2 0 -5.42631444220997 235453 C1=CC=C(C=C1)C(=O)CC(C2=CNC3=CC=CC=C32)C(=O)O 1 3.203 1 3 -3.09222590153613 235440 CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C)NC(=O)N3CCN(CC3)C 1 0.875 6 2 0 -5.81149072002273 235438 CN1CCN(CC1)C(=O)NC2=CC=CC3=CC=CC=C32 1 2.017 3 1 -3.39624984426858 235437 CN1CCN(CC1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.003 4 3 0 -4.73994537910102 235434 CCNC(=O)N1CCN(CC1)C(=O)NCC 1 -0.515 4 2 0 -6.971898747884 235424 CN1CCN(CC1)C(=O)NC2=CC=CC=C2OC 1 1.093 3 2 0 -5.95161683671758 235392 CC1CC2C3C(CCCC3(C1(CCC4=COC=C4)O)C)(C(=O)O2)C 1 3.541 0 4 -5.23412382671788 235333 C=CCNC(=O)C1COC2=CC=CC=C2O1 1 1.427 1 3 0 -8.11272149747911 235321 COC1=C(C=C(C=C1)C2C3COC(C3(CO2)O)C4=CC(=C(C=C4)OC)OC)OC 1 2.117 0 7 0 -6.50851248939581 235307 CC1=C(C=C(C=C1)NC(=O)OC)NC(=O)OC 1 1.843 2 4 0 -6.49025779057106 235295 CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CO 1 -0.512 4 3 0 -7.93974837785278 235292 CC(C)(C)C1=CC=C(C=C1)OCC2=NC3=C(N2)C(=O)N(C(=O)N3C)C 1 2.855 4 3 0 -6.35060171173124 235288 CC(C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)O 1 -2.7e-002 4 3 0 -11.0413660817568 235224 CN1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3 1 3.368 1 2 0.748386827160444 235216 COC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)OC 1 1.908 4 4 0 -4.8248706715677 235181 C1=CC=C(C=C1)C(=O)CCCCCCC(=O)C2=CC=CC=C2 1 5.014 0 2 -3.74191024990762 235004 COC1=CC=CC=C1NC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3OC 1 1.908 4 4 0 -7.71797370739736 235003 C1CN(CCN1C(=O)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 1.941 4 2 0 -4.56855860079691 234937 C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)O 1 1.043 1 3 0 -10.8793392711361 234935 C1=CC=C2C(=C1)C=C(C=N2)CC(C(=O)O)N 1 -1.419 2 2 0 -2.02245530930239 234934 C1C(=O)N2C3=CC=CC=C3N=C2S1 1 2.104 2 1 -4.45342806357898 234911 COC(=O)C1=CN=C(C=C1)C(=O)OC 1 0.818 1 4 0 -8.79339312537405 234889 CCCOC(=O)C1=CC(=C(C=C1)O)OC 1 2.299 0 4 -3.76144608615193 234873 COC1=CC=CC2=CC(=C(C(=C2C1=O)OC)OC)OC 1 1.978 0 5 0 -3.40106688936687 234860 C1OC2=C(O1)C=C(C=C2)C=NNC3=NC4=CC=CC=C4S3 1 3.205 3 2 2.45146088941551 234859 C1=CC=C2C(=C1)N=C(S2)SCSC3=NC4=CC=CC=C4S3 1 5.795 2 0 -0.903569048162684 234839 C1=CC=C(C=C1)C(C2=CN=CC=C2)O 1 1.687 1 1 0 -5.03954169125528 234768 C1=CC=C(C=C1)C2C(=O)NC3=CC=CC=C3S2 1 2.897 1 1 -5.46504393045987 234754 CCCC1(C(=O)NC(=O)N1)CCC 1 1.595 2 2 0 -4.90804304503016 234683 CCC(C)NC(=O)C1=CC(=CC=C1)C 1 2.774 1 1 -12.021543520962 234643 C1=CC=C(C=C1)C2C(C2[N+](=O)[O-])C(=O)C3=CC=CC=C3 1 3.226 1 3 -1.86828594750381 234639 CC(=O)NC1=CC=C(C=C1)[As](=O)(C2=CC=C(C=C2)[N+](=O)[O-])O 1 2.258 2 5 0 -5.58022523714289 234637 C1=CC(=CC=C1N)[As](=O)(C2=CC=C(C=C2)[N+](=O)[O-])O 1 2.391 2 4 0.196972369592489 234612 CC1=NN=C(S1)NC(=O)C 1 -0.315 3 1 0 -10.0434766878838 234602 COC(=O)CC1=C(NC(=O)N1)C(=O)OC 1 -1.204 2 5 0 -12.5814795196771 234598 COC(=O)CC1=C(N=C(N1)Cl)C(=O)N 1 0.205 3 3 0 -3.75898813180766 234540 C1CC[N+]2(C(C1)CCCC2CO)[O-] 1 0.865 1 2 0 -1.92270179203978 234387 CCC(C)NC(=O)CC(C)C 1 1.998 1 1 0 -14.3896169136749 234310 CC(C)CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.41 3 3 -6.81981507516472 234275 CC1=CC2=C(C=C1)N=C(C=C2Cl)C 1 3.449 1 0 6.2940783906552 234263 CC1=CC(=C(C=C1)C(C)C)OC(=O)NC2=CC=C(C=C2)OC 1 4.834 1 3 0.44918931023332 234249 C1=CC=C(C(=C1)C(=O)N)OCC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.78 2 3 -5.57327869063961 234245 C1=CC=C(C=C1)CNC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 3.858 2 1 -4.53042062580491 234244 C1=CC=C(C(=C1)NC(=O)COC2=CC=C(C=C2)Cl)Cl 1 3.778 1 2 -3.35914398948444 234240 C1COCCN1CCNC(=O)NC2=CC(=CC=C2)Cl 1 1.437 3 2 0 -5.87511838487155 234157 CN(C)C1=CC=C(C=C1)C=NC2=CC=CC=C2 1 3.588 2 0 3.8101330645978 234126 CCOC1=CC=C(C=C1)NC(=O)NC2=C(C=C(C(=C2)C(C)C)O)C 1 4.293 2 3 -5.3139655322268 233891 C1=C(NC(=NC1=O)N)C(F)(F)F 1 0.215 3 1 0 -5.66765333323824 233874 CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2 1 5.033 1 0 9.7300102607735 233841 CC1=CC(=O)C(C(=O)O1)C(=NC2=CC=CC=C2Cl)C 1 2.488 1 3 0.342183472240452 233840 C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Cl 1 3.933 0 1 0.396758150876214 233835 C1=CC(=CC=C1S(=O)(=O)C2=C(C=CC(=C2)O)O)Cl 1 3.113 0 4 -0.899604907098325 233833 CCOC(=O)NC1=CC(=C(C=C1)[As](=O)(O)O)O 1 1.344 1 6 0 -2.25760170218818 233817 CCCCC1CCCC12C(=O)NC(=O)N2 1 1.999 2 2 0 -6.63337090071962 233797 C1=CC=C2C(=C1)NC(S2)C3=C(C=CC(=C3)Br)O 1 4.288 1 1 2.15609670346924 233722 CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)NC2=CC=CC3=CC=CC=C32 1 4.869 2 2 -4.86729865833682 233538 C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)C(=O)O 1 2.356 1 3 -5.21411421148589 233401 CC1=CC(=NC(=O)N1)C2=CC=CC=C2 1 1.958 2 1 0 -4.66697829249484 233331 CC1(C2=CC=CC=C2N(C1=C=CC3=CC(=C(C(=C3)I)O)I)C)C 1 5.553 1 1 8.39967616930753 233324 COC1=C(C=CC(=C1)I)[As](=O)(O)O 1 2.035 0 4 1.85874100622608 233320 C1=CC(=CN=C1)[As](=O)(O)O 1 0.323 1 3 0 -0.584978937371467 233294 CC(=O)NC1=C(C2=CC=CC=C2C3=CC=CC=C31)OC 1 2.75 1 2 -3.4313767574338 233281 CC(=O)NC1=CC(=C(C=C1)[As](=O)(O)O)O 1 0.352 1 5 0 -2.963010906191 233262 C1=CC(=C(N=C1)Br)C(=O)O 1 1.291 1 2 0 -2.37182022309395 233244 CCOC(=O)C1=CNC2=C(C1=O)C3=CC=CC=C3C=C2 1 2.286 1 3 -4.79043241767579 233072 CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1 1 1.649 1 2 0 -5.27712158140508 233009 CC(C)COC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13 1 4.134 1 3 -8.00043455036566 233006 C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CC=C(C=C3)O)C(=O)O 1 2.142 1 5 -7.04553716885505 233004 CCOC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13 1 3.291 1 3 -6.69192223636379 232997 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N 1 1.443 1 2 0 -3.36171879098795 232919 CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C 1 3.105 1 2 2.41972874620851 232851 C1CC2=C(C1)C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O 1 3.921 0 3 -6.31538786179074 232841 C1CC2=C(C1)C=C(C=C2)C(=O)O 1 2.516 0 2 -4.31483845735981 232763 CC1(C2CCC1(C(=O)C2=NC3=CC=C(C=C3)N=C4C5CCC(C4=O)(C5(C)C)C)C)C 1 5.257 2 2 -2.66684846946709 232704 CC1=C2C=CC=C3C2=C(C=C1)C(=O)C4=CC=CC=C43 1 4.317 0 1 2.07596732181983 232647 COC1=CC(=CC(=C1OC)OC)C=NN=CC2=CC(=C(C(=C2)OC)OC)OC 1 3.396 2 6 0 -2.91789724912651 232613 COC1=C(C(=CC=C1)OC)OCCCN2CCOCC2 1 1.669 1 4 0 -0.555033061384111 232605 CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)C 1 1.931 1 3 0 -12.991105372224 232590 CCOC1=CC2=C(C=C1)SC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N 1 2.529 3 3 -2.10523901709798 232570 CCOC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42 1 5.235 2 1 8.27250844909426 232557 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.947 2 5 0 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0.218044874512856 221143 C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=CS2 1 1.528 2 3 0 -11.4223647335675 221125 C1CN2CC3=CCOC(C4C3CC2C15C4NC6=C(C(=O)C(=O)C=C56)[N+](=O)[O-])CC(=O)O 1 -3.625 3 7 0 -13.2967812933813 221107 CN1C=NC2=C1N=CN=C2NCC3=CC=CO3 1 0.612 5 1 0 -2.51779589799936 221080 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC=NN3 1 0.74 4 2 0 -7.09270039718366 221071 C[C@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C 1 2.601 0 3 -0.796107941520063 221045 C1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)CCC(=O)O 1 0.406 1 6 0 -13.4080227577622 220929 C1=CC2=C(C=C1Cl)C(=O)C=CN2 1 1.877 1 1 0 -0.832053512028306 220927 CCN(CC)N=NC1=CC=C(C=C1)S(=O)(=O)N 1 1.616 4 2 0 -2.72924784336151 220926 COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2 1 3.352 2 1 4.56298202483523 220915 CC(=NNC(=O)N)C1=CC=C(S1)Cl 1 1.201 3 1 0 -3.4609808267963 220912 C1=CC=C(C(=C1)C2=NC(=NC(=N2)N)N)C3=NC(=NC(=N3)N)N 1 0.398 10 0 0 0.421674708083912 220852 C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-] 1 5.056 2 3 -2.96654691959563 220846 C1=CC=C(C=C1)CCC2=CC=NC=C2 1 3.11 1 0 4.26529075239395e-002 220840 C1=CC=C(C=C1)NC(=O)C2=CC=NC=C2 1 1.464 2 1 0 -5.01601136543218 220776 C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=CO4 1 2.317 5 1 1.05447016619947 220717 CCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl 1 1.71 1 2 0 3.42680567032714 220706 C1=C(C=C2C(=C1[N+](=O)[O-])NC(=O)NC2=O)[N+](=O)[O-] 1 0.353 4 6 0 -9.00712823412468 220697 CC(=O)NC1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3S2 1 2.557 4 1 -1.01970082536023 220689 CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(CCC3)C(=C2)N 1 3.157 2 3 -6.33908180988374 220688 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=O)NC3=C2CCC3 1 1.466 2 3 0 -13.672208954975 220658 CC(=O)NC(C1=CC=CC=C1)C2=C(C=CC3=CC=CC=C32)O 1 3.235 1 2 -5.36567970026837 220590 CC1=CC(=C(C=C1CC2=CC(=C(C=C2C)N)C)C)N 1 4.256 2 0 1.31795798828217 220490 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)[N+](=O)[O-] 1 5.307 3 2 -4.03336188529818 220483 CCOC1=CC=CC=C1C=NNC2=NC3=CC=CC=C3O2 1 3.211 3 2 2.08828928399714 220464 CN1C=CC(=S)C2=CC=CC=C21 1 2.465 1 0 0.71295569388542 220463 C1=CC=C2C(=C1)C=C(N2)C3=CC=C(C=C3)Cl 1 4.597 1 0 11.2478237152461 220437 C1CCC(=NNS(=O)(=O)C2=CC=CC=C2)CC1 1 2.111 2 2 -6.52339285965791 220434 CC(=O)C=NNC1=CC=CC=C1 1 1.553 2 1 0 -0.578005698637365 220419 C1=CC=C2C(=C1)NC(=N2)C(C(C(C(CO)O)O)O)O 1 -1.002 2 5 0 -0.59453891233956 220406 C1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 2.009 1 2 -3.39283535712045 220400 C1=CC=C(C=C1)C2N=C(NC(=N2)NC3=CC=CC=C3)N 1 2.643 5 0 0.263385085454638 220370 CC1CCCC(C1)(CC(=O)O)CC(=O)O 1 1.803 0 4 0 -3.29595062817481 220284 CC1=C(C=C(C(=C1)O)C2=CC(=C(C=C2O)C)O)O 1 3.352 0 4 4.33866523282232 220272 CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C 1 1.413 2 3 0 -31.2034705453208 220191 C1C(C(C(C(O1)OCC2=CC=CC=C2)O)O)O 1 -1.1e-002 0 5 0 -2.50420372776744 220169 C1=CC=C(C=C1)C2=C(SN=N2)C3=CC=CC=C3 1 4.131 2 0 1.15255905583581 220107 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)C(=O)O 1 2.438 0 4 -0.933829203755689 220095 CC1=CC(=C(C=C1)C)C(=O)CCC(=O)O 1 2.387 0 3 -5.46649126043529 220023 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2 1 3.009 1 2 -5.47966790862538 219945 CC1C=C(CC(C1C(=O)O)C(=O)O)C 1 1.36 0 4 0 -5.89737207944598 219987 C1COCCN1S(=O)(=O)N2CCOCC2 1 -1.664 2 4 0 -9.66895412083568 219840 C1=COC(=C1)CNC2=NC=NC3=C2C=NN3 1 0.534 5 1 0 -0.604201763933501 219777 CN1C2=C(C=N1)C(=NC=N2)NC3=CC=C(C=C3)Cl 1 2.216 5 0 5.56586534087566 219776 C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)Cl 1 3.793 5 0 8.14607182020893 219770 C1=COC(=C1)CNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl 1 2.981 5 1 3.6403555938987 219766 CN1C2=NC=NC(=O)C2=CN1 1 -1.273 4 1 0 -2.52976279479679 219762 C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC(=CC=C4)Cl 1 3.793 5 0 9.36828941133537 219761 CC(C)NC1=NC=NC2=C1C=NN2C3=CC=CC=C3 1 2.278 5 0 0.310095443411386 219760 CCCCNC1=NC=NC2=C1C=NN2C3=CC=CC=C3 1 2.88 5 0 0.96463775310178 219756 CC1=CC=CC=C1NC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 3.614 5 0 5.49971356792721 219754 CCNC1=NC=NC2=C1C=NN2C 1 0.324 5 0 0 -0.982809191455335 219729 CSC1=NC(=O)C2=CNNC2=N1 1 -0.199 4 1 0 -4.14571556875656 219688 C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)O 1 2.813 0 3 -3.48671420661633 219591 CCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC 1 2.877 4 4 0 -4.91587523332065 219572 CCCC1(C(=O)NC(=O)N1)C2=CC=CC=C2 1 1.85 2 2 0 -4.88367336488755 219558 C1=CC=C(C=C1)C=NNC2=CC=CC=C2[N+](=O)[O-] 1 3.343 3 2 -2.0772380094286 219490 CN(C)C1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)N(C)C)N)N 1 2.065 4 1 -4.7239609333897 219439 C1COCCN1C(=S)SCCC(=O)N 1 0.994 2 2 0 -9.81085961200532 219408 C1=CC=C(C=C1)C2=NN=C(S2)N 1 1.482 3 0 0 1.61045996860257 219352 C1=CC=C(C=C1)COC(=O)NC(CCC(=O)O)C(=O)O 1 1.268 1 6 0 -15.63865987721 219325 C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC=CC=C3O 1 3.281 1 2 1.66368190314243 219320 C1=CC=C(C=C1)CC2(C(=O)NC(=O)N2)C3=CN=CC=C3 1 1.275 3 2 0 -4.11621505610837 219269 CCOC(=O)C1CN(C(=O)C1=O)C(C)(C)C 1 0.501 1 4 0 -8.11999289663849 219150 C1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32 1 2.498 2 1 -7.36614991936232 219131 CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.614 1 3 -2.80532108370323 218417 C1=CC(=CC=C1C2=C(NN=C2)N)Cl 1 1.834 3 0 0 3.33051839907213 218286 CN1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)NN 1 0.787 4 1 0 -0.212803410842983 218206 CN1CCC(CC1)OC(=O)C2=CC=CC=C2.Cl Cl- 1 1.796 1 2 0 -5.71603395750264 218061 C1CCC2=C(CC1)SC3=C2C(=O)NC=N3 1 2.376 2 1 -12.9265429516288 217907 C1=CC2=C(C=CC(=C2N=C1)O)F 1 1.979 1 1 0 4.77290217293112 217803 C1COCCN1C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 0.867 2 3 0 -10.7897712323563 217791 COC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 1.741 2 4 0 -11.4641104612016 217732 CCCOC1=CC=C(C=C1)C2=NNC(=O)CC2 1 1.905 2 2 0 -8.9466774055423 217657 CC(C(=O)O)N1C(=O)CSC1=S 1 1.115 1 3 0 -11.2130172881537 217304 C1COCCN1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 1.428 3 3 0 -12.3836508047847 217228 C1=CC=C(C=C1)NC=C2C(=O)C3=CC=CC=C3C2=O 1 2.577 1 2 -1.84290713934753 217208 CNC=C1C(=O)C2=CC=CC=C2C1=O 1 0.723 1 2 0 -0.212836486105532 216328 CC1(CC(=O)C2=C(O1)C=C3C=C(C=C(C3=C2O)OC)O)O 1 1.495 0 6 0 -1.75608093395716 216303 CCC(=O)NCCC1=CNC2=CC=CC=C21 1 2.238 2 1 -10.7714886513062 216017 C1CC(C1)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.423 2 1 -0.933577895296403 215970 CCOC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C 1 2.48 2 2 -1.39988428710702 215890 COC(=O)C1=C(N=CC=C1)OC2=CC=CC=C2 1 2.634 1 3 -3.74294979311071 215639 C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC=N3 1 2.055 2 1 -0.434916967597704 215605 CC(=O)C1=COC2=C1C=C(C=C2)OCC(=O)O 1 1.338 0 5 0 -5.55688819355108 215239 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=NC=C2 1 0.91 3 3 0 -9.20712983984213 215090 CC1=NC2=CC=CC3=C2C(=CC=C3)N1C 1 2.071 2 0 1.17005061968727 214841 CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)O 1 1.692 2 2 0 -3.01640945216204 214258 CC(C)OC1=CC=C(C=C1)C2CC(=O)NC2=O 1 1.412 1 3 0 -8.26156773867671 214169 CCN(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.Cl Cl- 1 3.781 1 3 -4.39971133618301 214011 CC(=O)OCC(=O)C1=CNC2=CC=CC=C21 1 1.57 1 3 0 -2.9332329865681 213713 COC1=C(C=C(C=C1)CC(=O)C2=CC(=C(C=C2CC(=O)O)OC)OC)OC 1 2.868 0 7 0 -7.24278301326052 213545 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CS3 1 1.66 3 2 0 -16.0035000536012 213331 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3 1 4.291 1 2 -2.06003569661892 213330 CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3 1 4.291 1 2 -2.70658370491676 213329 CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C 1 2.626 1 2 -4.89935680606498 213230 C1CC2=CC(=O)NN=C2C3=CC=CC=C31 1 2.008 2 1 -6.38695490793916 213226 CN1C(=NN=C1SC)C2=CC=CC=C2 1 2.408 3 0 -1.1334082182824 212874 CCN(CC)CCNC(=O)C12CC3CC(C1)CC(C3)C2.Cl Cl- 1 2.765 2 1 -6.89359229631066 212873 CCN(CC)CCOC(=O)C12CC3CC(C1)CC(C3)C2 1 3.412 1 2 -0.913707337156258 212817 C1=CC=NC(=C1)C2=NC(=NC(=N2)N)N 1 0.392 6 0 0 1.92916916302394 212810 CCOC(=O)N1C2=C(C=CC(=C2)Cl)OC1=O 1 2.986 1 4 4.0539676837701 212794 COC1=CC=CC=C1N2CCN(CC2)C3=NC=NC4=C3NC=N4 1 1.456 6 1 0 1.90433783739247 212320 CSC1=C(C(=NS1)SCC(=O)N)C#N 1 1.322 3 1 0 -11.9628393710367 212086 C1CCC2=C(C1)C(=O)N=C(N2)N3CCOCC3 1 0.71 3 2 0 -14.6770256601063 211701 C1C(=O)N(C(=S)S1)C2=CC(=CC=C2)O 1 2.484 1 2 0.498331891988999 211451 CN1C(=O)CCC1(C2=CC=CC=C2)O 1 0.798 1 2 0 -5.76308250797361 211447 CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C(=O)OCC)C)C 1 2.312 1 4 -20.5310855658213 211446 CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C(=O)OCC)C)C 1 1.754 1 5 0 -20.9461595104252 211240 CC1=NC2=C(C3=C(S2)CCC3)C(=O)N1N 1 1.05 3 1 0 -14.9741779518846 211186 COC1=C(C=C(C=C1Cl)C(=O)NN)Cl 1 1.652 2 2 0 -3.37526291987257 211166 C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])N 1 2.538 2 3 3.14291587157682 211019 CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=CC=C2 1 2.378 2 2 -9.88379873064704 211017 COC1=CC=C(C=C1)C(=O)C2=CNC3=CC=CC=C32 1 3.511 1 2 0.712626498400494 210591 C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)O 1 2.484 1 2 -0.461686142000395 210074 C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2 1 3.105 2 1 1.28986551718869 210031 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCN3C4=CC=CC=C4OC3=O 1 2.289 2 4 -3.39531839739207 231625 CCC1(CCC2=C(C1=O)C=C(C3=CC=CC=C23)OC)C(=O)OC 1 3.948 0 4 -0.798272196514599 231587 C1=CC=C(C=C1)C2=C(NC(=O)N2)C3=CC=CC=C3 1 2.087 2 1 -5.51827149044201 231576 C[C@H]1CC[C@@H]2[C@H](C1)NCCN2 1 0.888 2 0 0 -4.17422718798498 231556 CC1=C(C2=C(C=CC=N2)C=C1)N 1 1.755 2 0 0 1.23022202670841 231439 CCCCSC1=NC=NC2=C1C=NN2 1 2.303 4 0 -3.63778649876628 231410 C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1 1 4.617 1 2 -5.01346751334282 231403 C1CN(C(=O)N1)CC2=CC=CC=C2 1 0.977 2 1 0 -10.923544986714 231398 C1=CC=C(C=C1)CONC(=O)N 1 0.593 2 2 0 -0.305668355105335 231389 CC1(C(=O)NC(=O)N1)C2CC2 1 0.107 2 2 0 -5.63235879782394 231384 COC1=CC2=C(C=CN=C2C=C1)C(=O)N 1 1.002 2 2 0 -1.16368062775251 231380 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CC=CC=N3 1 1.758 2 2 0 -6.11866300686794 231378 C1=CC2=C(C=CNC2=O)C(=C1)[N+](=O)[O-] 1 0.621 2 3 0 -5.57151637369575 231363 C1=CC2=C(C(=C(C=C2)C(=O)O)O)N=C1 1 1.404 1 3 0 0.183242343758551 231357 C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)O 1 4.027 1 3 -6.11540352162993 231296 C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O 1 4.792 1 2 -5.42272112256549 231264 C(CC(=O)NCCO)C(=O)NCCO 1 -2.282 2 4 0 -11.7297218760041 231231 CN(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2 1 3.282 1 2 -6.01887722201731 231168 C1=CC=C(C=C1)CC2=CNC3=CC=CC=C32 1 4.098 1 0 -0.327590431964882 231112 COC1=CC=C(C=C1)C2C(=NC(=O)N2)C3=CC=C(C=C3)OC 1 2.982 2 3 -7.77890739425668 231097 COC1=CC=C(C=C1)CC(=NO)C2=CC=C(C=C2)OC 1 3.303 1 3 1.36706337907762 230983 CCOC1=CC2=C(C=C1)C(=CS2)O 1 2.782 0 2 0.802739868475783 230981 C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2 1 3.368 2 0 4.65088109859362 230939 C1=CC=C(C=C1)N2C3=C(C(=N2)CC#N)C(=NC=N3)N 1 1.811 6 0 0 -0.857383262575667 230936 CC1=CC(=NC2=C(C(=NN12)CC#N)C#N)C 1 0.889 5 0 0 -7.98902419967204 230934 C1=CC=C(C=C1)C2=NC(=O)C(=C(N2)N)N=O 1 0.648 4 2 0 -4.10061399230835 230919 CC1(C2CCC(C2)(C1OC(=O)C3=CC=CC=C3C(=O)O)C)C 1 3.783 0 4 -1.20635176959148 230812 CC1=CC=C(C=C1)C=C2C(=C(C(=C2Cl)Cl)Cl)Cl 1 4.843 0 0 0.915733228697767 230788 C1COCCN1C2=NC3=CC=CC=C3C(=C2)C(=O)O 1 1.415 2 3 0 -4.38169032766096 230755 C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2N 1 1.875 2 1 0 -8.25640646189207 230742 C1CC2=C(C1)NC(=O)NC2=O 1 0.1 2 2 0 -12.7341094693917 230726 CCS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2 1 1.348 2 2 0 -13.3648041163705 230710 CC1=CC(=NC2=CC=CC=C12)N3CCCCC3 1 3.501 2 0 3.79930513052338 230685 CCOC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C 1 1.283 1 4 0 -10.2428342233486 230648 CSC1=NC=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O 1 -0.611 4 4 0 -11.7119875585717 230634 C1=CC=C(C=C1)C=NC2=C(NC=NC2=O)N 1 0.255 4 1 0 -2.03196586328615 230606 C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)O 1 4.501 1 2 -0.121390951785208 230602 CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)C 1 4.565 1 2 -0.647274337061431 230598 CCOC(=O)C1=CC(=NC2=C(C=C(C=C12)Cl)Cl)C3=CN=CC=C3 1 4.345 2 2 -2.79147147715974 230582 C1=CC=C2C(=C1)C(=CC(=N2)Cl)C(=O)O 1 2.519 1 2 -3.66020601260385 230580 C1=CC=C2C(=C1)C(=CN2)CCC(=O)NN 1 1.124 3 1 0 -8.00973801372358 230513 C1=CC=C(C=C1)C2=C(OC(=N2)C3=NC=CC4=CC=CC=C43)C5=CC=CC=C5 1 5.595 2 1 8.69865862111355 230488 C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2C#N 1 2.382 2 1 -6.78718825613249 230485 C1=CC=C(C=C1)C(=O)NC(=O)NC(=O)C2=CC=CC=C2 1 2.266 2 3 -5.30755562889702 230471 CC1=CC(=NC(=C1C#N)N)C 1 1.119 3 0 0 -4.57855385716172 230452 CC(C)OC1CCCC(C1CC(=O)O)O 1 0.901 0 4 0 -6.29870218685504 230352 C1=CC=C(C=C1)CNC(=O)CCCC(=O)NCC2=CC=CC=C2 1 2.42 2 2 -14.3832142082312 230363 C1=CC(=CC=C1C(=O)NC2=NC=CS2)[N+](=O)[O-] 1 1.506 3 3 0 -8.14220834171008 209941 CCC(=O)C1=CC=C(C=C1)OCCN2CCOCC2 1 2.046 1 3 -4.86572598968558 209842 CCOC(OCC)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 4.611 0 3 -4.24185881182983 209805 CC1=C(SC=N1)C(=O)O 1 0.489 1 2 0 -10.4680084874532 209651 C1=CC=C(C(=C1)C(=O)NCCCCCCNC(=O)C2=CC=CC=C2O)O 1 2.965 2 4 -5.58198827517624 209610 CC1CCC(C(C1)OCC(CNC(C)C)O)C(C)C.Cl Cl- 1 3.006 1 2 -0.40169227050731 209395 CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 1 1.999 2 1 0 -14.2037593029328 209293 CC1=CC2=C(C=C1)NC3=C2CN(CC3)C.Cl Cl- 1 2.763 2 0 5.74858040362269 209253 CN1C=NC2=CC=CC3=C2C1=CC=C3 1 1.992 2 0 0 2.16850732992502 209044 COC1=CC(=C(C=C1)OC)S(=O)(=O)N 1 0.502 1 4 0 -5.48185794268843 208847 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C 1 3.178 1 2 -8.7013562409679 208786 C1CCN(CC1)C2=NC(=O)C3=C(N2)CCCC3 1 1.94 3 1 0 -13.1420397252584 208785 C1CCC2=C(C1)C(=O)N=C(N2)N3CCN(CC3)C4=CC=CC=C4 1 2.652 4 1 -9.86286773850031 208784 CN1CCN(CC1)C2=NC(=O)C3=C(N2)CCC3 1 0.524 4 1 0 -9.79972402049519 208782 C1CC2=C(C1)NC(=NC2=O)N3CCN(CC3)C4=CC=CC=C4 1 2.196 4 1 -9.55405761761564 208532 CCOC1=CC=C(C=C1)S(=O)(=O)NCCCN2CCOCC2 1 0.962 2 4 0 -8.43677018684253 208296 C1=CC=C(C=C1)C2=NC(=O)NN=C2 1 1.464 3 1 0 -5.15541808628993 208220 C1CCN(C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3 1 3.109 1 2 -7.34784094284972 208217 C1COCCN1C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3 1 2.335 1 3 -9.27060590679339 208038 C1CCC2(CC1)C(CC(=O)O2)C(=O)NC3=CC=CC=C3 1 2.465 1 3 -5.04495515677418 207753 CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 2.751 2 1 -6.12870974052334 207650 C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)O 1 1.059 1 3 0 -11.6030487806185 207582 CC1=CC(=O)OC2=CC3=C(C=C12)OCCO3 1 2.132 0 4 -3.79924352137022 207459 C1CCN(CC1)C2=NC(=NC(=N2)C3=CN=CC=C3)N 1 1.169 6 0 0 2.11566911105538 207316 CCOC(=O)C1=C(SC2=C1CCN(C2)CCC3=CC=CC=C3)N 1 3.205 2 2 -0.936770833297824 207081 C1CN2CCC1C(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35.Cl Cl- 1 3.481 1 3 -2.9488387330741 207054 CC1=CC=C(C=C1)S(=O)(=O)NNC2=CC=CC=C2 1 2.826 2 2 -3.1946074251524 206796 CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.54 3 0 1.45141294075377 206793 CCN1CCN2C3=C(C=C(C=C3)C)C4=C2C1CCC4 1 4.257 2 0 7.04913259371143 206697 CC1=C(C(=NN1CC2=CC=CC=C2)C)N 1 1.744 3 0 0 -2.73290641042448 206650 C1CCC2(CC1)C3=C(CCCC3)N=C(S2)N 1 3.666 2 0 -4.45611210991471 206388 CCN1C=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C1 1 1.724 1 2 0 1.78136348632226 206267 CCN(CC)CCNC(=O)COC1=C(C=C(C=C1)Cl)Cl 1 3.038 2 2 -7.25763530720163 206197 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CO2)C(=O)OC 1 1.056 1 5 0 -20.1968456420798 206184 CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1N 1 1.642 3 1 0 -2.74037087356549 206167 C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=CC=C4 1 3.378 4 0 -2.17540196190172 205896 CC1(CC(=CC(=O)C1)NC2=CC=CC=C2)C 1 2.703 1 1 -13.0627839077894 205676 CCN(CC)C1=CC=C(C=C1)CC(=O)NC(C)CC2=CC=CC=C2 1 4.214 2 1 -12.8485781645663 205536 C1=C(ONC1=O)CN.Br Br- 1 -1.61 2 2 0 -4.83020911861824 205491 CCOC1=CC=C(C=C1)C(=O)CCN2CCCCCC2.Cl Cl- 1 3.53 1 2 0.287800063669373 205489 C1CCCN(CC1)CCC(=O)C2=CC=CC=C2.Cl Cl- 1 3.197 1 1 0.671341857012189 204417 C1CCN(CC1)C2=NC(=NC(=N2)N)N3CCCCC3 1 1.68 6 0 0 0.317510525369755 204387 CN1CCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl Cl- 1 3.322 1 1 1.8924111858731 204385 C1CC(NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl Cl- 1 2.786 1 1 -3.51473752369754 204356 CCN(CC)CC1=C(C=CC2=C1C(=C(N2C)C)C(=O)OCC)O.Cl Cl- 1 3.208 2 3 -0.311498925153145 204319 C1CC2C3=C(C1)C4=CC=CC=C4N3CCN2.Cl Cl- 1 2.886 2 0 3.44762222441037 204278 COC1=C2C(=NC=N1)SCC(=O)N2 1 0.461 3 2 0 -9.03212557277907 204177 CC1=CC(=C(C=C1)C)C2C(=O)C3=CC=CC=C3C2=O 1 3.791 0 2 -2.10444689066338 204149 C1=CC=C(C=C1)C2=CN3C=CC=NC3=N2 1 2.132 3 0 1.65158956858878 203875 CNCCC1=CC=CC=N1.Cl Cl- 1 0.68 2 0 0 -1.93968146442691 203436 C1=CC(=CC=C1C(=N)N)Cl.Cl Cl- 1 1.551 2 0 0 0.457757875157219 203433 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CN=CC=C3 1 2.408 3 1 -2.2792402557341 203420 C1CC2=C(C1)SC3=C2C(=O)NC=N3 1 1.463 2 1 0 -12.263264316576 203396 C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Br)Br 1 2.383 2 1 -1.54482833931403 202918 COC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O 1 2.993 1 3 -0.574255789551074 202792 C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=CN3 1 0.318 4 1 0 -1.57863747513565 202779 C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)N)N 1 2.634 4 0 5.4087151840335 202725 C1=CC(=CN=C1)C(=O)NC2=CN=CC=C2 1 0.313 3 1 0 -6.09884100421505 202704 C1=CC(=CC=C1P(=O)(C2=CC=C(C=C2)Cl)O)Cl 1 4.092 0 2 -0.345576852793537 202512 C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O 1 2.6 2 2 -1.92599906626747 202477 CCCN1CCC[C@@H](C1)C2=CC(=CC=C2)O.Cl Cl- 1 3.219 1 1 6.90271666780352 202291 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)OC 1 0.686 3 3 0 -14.7060751689544 202208 C1=CC=C(C=C1)CC(CC2=CC=CC=C2)N.Cl Cl- 1 3.19 1 0 1.00440816400515 202148 CC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O 1 3.305 0 2 -2.97996371775971 202108 C1CN2C(=CSC2=N1)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.724 3 2 0 -2.50703492748861 202061 CCN(CCO)CC1=CSC2=C1C=C(C=C2)Br.Cl Cl- 1 3.323 1 1 4.05792288344267 202059 CCN(CCO)CC1=CSC2=CC=CC=C21.Cl Cl- 1 2.574 1 1 3.45108103833978 202037 CCN(CCO)CC1=CSC2=C1C=C(C=C2)Cl.Cl Cl- 1 3.239 1 1 4.88356132190799 202020 CC(C(=O)O)OC1=CC=CC=C1OC 1 1.762 0 4 0 -8.38091634443834 201986 C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.904 2 4 -2.25568736776417 201772 C1=CC(=CC=C1C2=C(NN=C2)N)F 1 1.375 3 0 0 2.22039673395056 201764 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4 1 2.552 2 3 -2.80523822545049 201618 C1=CC=C(C=C1)CCNCC2=CN=CC=C2.Cl Cl- 1 2.121 2 0 -1.02679051941336 201597 CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl Cl- 1 2.894 1 1 0.433178620506877 201328 C1COCCN1CC(=O)NC2=CC=CC=C2 1 0.644 2 2 0 -7.15108899959445 201327 C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3N2 1 2.334 2 1 -8.10320433535268 201134 C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.411 3 2 -1.15361413586141 201099 C1=CC=C(C=C1)CCNCC2=CC=CC=C2.Cl Cl- 1 3.272 1 0 0.485646740692882 201096 C1CCN(CC1)CC(=O)O.Cl Cl- 1 -2.316 1 2 0 -4.84181675173482 201075 CCN(CC)CCC#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O 1 4.441 1 1 -1.22431955054117 201067 CCCC(CCC)(C(=O)NNC1=CC=CC=C1)O 1 3.056 2 2 -8.80958027681635 200953 C1=CC=C(C=C1)C#CC(=O)C2=CC=CO2 1 3.219 0 2 0.218145287033807 200946 CC1=CC=CC=C1C2=NC3=CC=CC=C3N2 1 3.756 2 0 5.238930943437 200871 COC1=CC=CC=C1OCC(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3OC 1 1.762 2 6 0 -9.1572042176049 200753 COC1=CC=C(C=C1)NC(=O)N2CCCCC2 1 2.053 2 2 -5.81555017575668 200643 C1=CC=C(C=C1)N2C=NN(C2=S)CO 1 1.584 3 1 0 -1.85800301428555 200556 C1CNCC1(C2=CC=C(C=C2)F)O.Cl Cl- 1 0.799 1 1 0 -0.428706919499457 200481 C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CN=CC=C3)O 1 2.733 2 1 0.359027554145367 200370 CN(C)CCC(=O)C1=CC=C(C=C1)Cl.Cl Cl- 1 2.488 1 1 4.1324992679284 200367 CN1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 2.71 2 3 -3.44784779520939 200285 CC1=C(NC(=C1C(=O)C)C)C(=O)C 1 1.326 1 2 0 -6.72487192798549 200283 C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C32 1 3.777 1 1 -3.3089722792842 200213 CCSC(=N)N.Br Br- 1 0.772 2 0 0 -1.50112246537571 200169 CN(C)CCC(=O)C1=CC2=C(C=C1)OCO2.Cl Cl- 1 1.592 1 3 0 -2.33326611327322e-003 200127 C1=CC=C(C=C1)C(=NC2=CC=CC=C2)N 1 2.669 2 0 2.15327899760275 200103 C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl.[N+](=O)(O)[O-] NO3 1 5.842 2 1 9.67241322388637 200102 CCN(CC)CCCOC(=O)C1(CCCC1)C2=CC=CC=C2 1 4.039 1 2 -5.01406923785347 200005 C1=CC=C2C(=C1)NC(=N2)CCCCC3=NC4=CC=CC=C4N3 1 4.174 4 0 -0.278775558523548 199911 CCCCOC1=CC=C(C=C1)C(=O)CCN2CCOCC2.Cl Cl- 1 2.824 1 3 -2.84740720116082 199799 CC1CCCC(N1C(=O)C2CCCCC2)C 1 3.378 1 1 -6.32407368699189 199788 C1COCCN1C2=NNC(=O)NC2=O 1 -1.543 4 3 0 -14.5392992779859 199787 C1=CC=C(C=C1)CSC2=NNC(=O)NC2=O 1 1.352 3 2 0 -17.5391438440406 199391 C1=CC=C(C=C1)N(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N 1 3.669 3 0 2.32964641865369 199361 CCN(CC)CCC#CC(C1CCCCC1)(C2=CC=CC=C2)O 1 5.047 1 1 -1.18991477685287 199317 CCN(CC)CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2 1 3.722 2 2 -7.32482951925738 199200 COC1=CC(=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3)OC 1 1.622 4 2 0 4.42793250836913 199161 C1=CC=C(C(=C1)CSC(=N)N)Cl.Cl Cl- 1 2.671 2 0 -2.76116935557807 199083 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=CC=NC=C2 1 1.421 2 4 0 -11.3470768189497 199008 CN1CCC(CC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl Cl- 1 1.747 1 5 0 -8.89143690620137 198996 COC1=CC=CC(=C1)N2CCN(CC2)C3=NC=CC=N3 1 1.727 4 1 0 5.74910265361113 198995 COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=CC=N3 1 1.727 4 1 0 4.70374715315929 198956 CC(C)(C)C1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.582 3 3 -5.78303117887924 198947 C=CCC(CC=C)(C1=CC=CC=C1)C(=O)N 1 2.789 1 1 -5.94941743612978 198909 C1=CC=C(C=C1)CCNC2=NC=NC3=CC=CC=C32 1 3.168 3 0 3.52568674977314 198798 CCCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 1 2.011 2 3 -7.48108004039219 198382 C1C(C=CC=C1C(=O)O)N.Cl Cl- 1 -2.433 1 2 0 -4.14364924379893 198284 CS(=O)(=O)O.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4 CS(=O)(=O)O 1 1.423 4 2 0 4.7555466652811 198234 C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)Cl)O 1 3.365 1 2 -2.50350707369934 198148 C1=C(C=C(C(=C1[N+](=O)[O-])N)C(=O)N)[N+](=O)[O-] 1 -0.126 4 5 0 -3.41817894529344 198015 CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2.Cl Cl- 1 4.512 1 2 -6.61115993529131e-002 197840 CN1C(CCCC1CC(C2=CC=CC=C2)O)CC(C3=CC=CC=C3)O.Cl Cl- 1 3.565 1 2 -2.28856466226963 197837 C1C(CN2C=CC=CC2=N1)O.Cl Cl- 1 -0.55 2 1 0 -3.83940528269054 197834 CN1CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.Cl Cl- 1 3.028 1 6 0 -9.37877813439802 197774 C1=CC2=C(C=C1F)C(=CN2)CCN.Cl Cl- 1 1.756 2 0 0 0.625311534274644 197763 CC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-] Cl- 1 -1.437 1 4 0 -6.60658767887659 197746 C1CNCCC1(C2=CC(=CC=C2)C(F)(F)F)O.Cl Cl- 1 1.598 1 1 0 1.53148335733701 197712 CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C 1 3.659 2 4 -4.98167021271075 197690 CC#CCOC(=O)C1=C(N=C2C(=C1N)C3=C(S2)CC(CC3)O)C 1 2.554 2 3 -9.28678710552076 197225 CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)O 1 2.625 2 3 -2.07863333655715 196981 CC1=CC2=C(C=C1)N3CC4=C(C=CC(=C4)C)N(C2)C3 1 4.264 2 0 -0.263691125307648 196225 C[C@@]1(CC[C@H](C1(C)C)C(=O)C2=CC=C(C=C2)OC)C(=O)O 1 3.283 0 4 -0.964234898999279 194653 C1CCN(C1)CC2=C(C=CC3=CC=CC=C32)O 1 3.03 1 1 9.1359202542934 194595 C1COC2=C(O1)C=CC(=C2)C3=CSC(=N3)NC(=O)C(=O)O 1 1.455 2 5 0 -0.996795056515731 194156 C1C[C@H](N(C1)C(=O)CCC(=O)O)C(=O)O 1 -0.498 1 5 0 -14.7701155509904 193147 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(C)CC2=CC=CC=C2 1 3.289 2 3 -6.42084767366953 192974 CC1=CC(=O)N(CCCC(C(=O)OCCC(=CC(=O)N(CCCC(C(=O)OCCC(=CC(=O)N(CCCC(C(=O)OCC1)NC(=O)C)O)C)NC(=O)C)O)C)NC(=O)C)O 1 0.595 6 15 0 -6.26701289201327 192808 CCOC(=O)CON1C(=O)C2=CC=CC=C2C1=O 1 0.764 1 5 0 -8.78478673108036 191374 CN1C2=CC=CC=C2N=C1CC3=NC4=CC=CC=C4N3C 1 3.639 4 0 2.61267737695918 191258 CC1=NC2=CC(=C(C=C2N=C1C)Cl)Cl 1 3.188 2 0 -0.236099540823793 190421 C1=CC(=C(C=C1C=NN=C(N)N)[N+](=O)[O-])Cl 1 1.422 5 2 0 3.01928007733954 190396 CCNC1=NC(=NC(=N1)NCC2=CC=CC=C2)Cl 1 2.448 5 0 -2.96165388050138 190056 C1C(O1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.24 1 3 -8.89825655411367 189710 CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C.Cl Cl- 1 1.804 3 2 0 -1.26122897674554 189406 CN1CCC=C(C1)C(=O)OCC#C.Br Br- 1 1.935 1 2 0 -6.58741179609294 188999 C[C@@H]1[C@H]2CN3CC[C@@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O 1 1.162 2 4 0 -8.11167652585532 188677 CCN(CC)CCC(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O.Cl Cl- 1 2.88 2 3 -7.36667876676653 188323 COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC 1 2.619 0 6 2.49977223936962 188299 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2)C 1 1.625 3 2 0 -7.06966748125861 188210 C1=CC=C(C=C1)C2=C(OC(=N2)N)C3=CC=CC=C3 1 3.279 2 1 7.00382176789984 186762 COC1=CC2=C(C=C1)N=C(N2)C3=CC=CC=N3 1 2.532 3 1 5.10951045737411 186582 C1=CC=C2C=C(C=CC2=C1)CN3C=CN=C3 1 2.415 2 0 2.63698412383469 186315 CC(C)OC(=O)NC1=CC=C(C=C1)OC 1 2.303 1 3 -4.11060521444295 186197 C1=CC=C(C=C1)C(=O)C2=NC=CN2 1 1.528 2 1 0 -3.00276213127402 186136 C1=CC(=CC=C1CCN)S(=O)(=O)F.Cl Cl- 1 0.879 1 2 0 -4.83633264377028 185848 C1=CC2=C(C=C1O)OC(=C2)C3=CC(=CC(=C3)O)O 1 3.217 0 4 10.4957235170029 185484 C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)Cl 1 3.138 1 2 1.0267571903861 185478 CC1=CC(=O)C2=C(C1=O)C=CC=C2OC 1 2.187 0 3 1.13500050005027 185371 C1=CC=NC(=C1)CCN2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O 1 2.561 3 4 0 -5.8411843358851 185248 CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.Cl Cl- 1 1.039 5 2 0 -6.13330788864083 185146 CN(C)CCCN1C(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=C3C1=O 1 1.866 3 4 0 -1.57351606770037 184853 C1=CC=C(C=C1)NC2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl 1 4.307 2 2 3.07793915774961 184360 C1CC(=CC(=O)C1)NC2=CC=CC=C2C#N 1 2.124 2 1 -9.38252471898131 183411 CC1=C(C(=C(N1C2=CC=C(C=C2)OC)C)C(=O)C)C(=O)C 1 2.46 1 3 -2.95658329811504 182791 C1COCCN1CCNC2=CC=NC3=CC4=CC=CC=C4C=C23 1 2.559 3 1 -1.64653410863548 182785 CC(C)NC1=CC=C(C=C1)NC2=CC=NC3=CC4=CC=CC=C4C=C23 1 5.009 3 0 -1.87858753816301 182638 C1=CC(=C(C=C1Cl)Cl)C2=NN=C(S2)N 1 2.811 3 0 4.04483489395075 182362 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=CC(=C3)O)O 1 2.652 0 4 3.52989495858446 182251 CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C 1 2.485 0 5 -2.30066389618139 182228 C1=CC(=NC(=C1)C2=CC=CS2)C3=CC=CS3 1 4.48 1 0 1.91746212077604 182073 CN1C2=CC=CC=C2C(=CC1=O)OC 1 1.146 1 2 0 0.681441474104565 181679 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C)C)C 1 2.446 1 4 -5.347397421228 181503 CN1C(=O)C=C(NC1=O)N(C)C2=CC=CC=C2 1 1.614 3 2 0 -2.0524277559137 181107 COC1=CC(=C2C(=C1)COC2=O)O 1 1.18 0 4 0 -5.75054346527799e-002 180957 C1CN(C(=C[N+](=O)[O-])N1)CC2=CN=C(C=C2)Cl 1 1.169 4 2 0 -7.2798003150199 179552 CN(C)CC(=O)C1=CNC2=C1C=C(C=C2)OC 1 1.853 2 2 0 -0.544580493401672 179503 CC1=C(C(=O)OC2=C1C=CC(=C2)OC)Cl 1 2.698 0 3 -1.04356573208377 179485 COC1=CN=C(C2=C1C3=CC=CC=C3N2)C=C 1 3.136 2 1 1.06839651462293 179436 CC(C)(C)C1=NN=C(S1)NC(=O)NC 1 1.227 4 1 0 -7.76538583139837 179147 CC1=CC(=NC2=NC(=NN12)S(=O)(=O)NC3=C(C=CC=C3Cl)Cl)C 1 3.143 5 2 0 -5.9579358058692 179009 CCCC(=C1C(=O)CC(CC1=O)CC(C)SCC)N 1 2.134 1 2 -10.0356439929614 178938 CC1=CC=C(O1)C(=O)NCC(=O)O 1 6.e-002 1 4 0 -8.59111780154301 177787 C1=CC=C2C(=C1)C(=O)C=C(S2)O 1 2.385 0 2 2.14290501227849 177746 C1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3 1 2.542 2 1 -6.07316942279366 177728 COC(=O)C1CC2=C(CN1)NC3=CC=CC=C23 1 1.656 2 2 0 -3.42515174093169 177267 C(CCCC[C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)CCCCC(=O)CCCO 1 1.341 1 5 0 -3.95859632689851 177263 C(CCCCC(=O)CCCCO)CCC[C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O 1 1.341 1 5 0 -4.12414386066212 176545 C1CCN(C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.122 3 3 0 -9.91175616998085 176406 CC(C)N(CCC(=O)C1=CC2=CC=CC=C2C=C1)CC3=CC=CC=C3.Cl Cl- 1 5.042 1 1 3.87717018778132 176158 CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl 1 4.391 2 2 1.9165647182289 176157 CCCN(CC1CC1)C2=NC(=NC(=C2Cl)NC3=C(C=C(C=C3Cl)Cl)Cl)C 1 6.527 4 0 -0.501141013201239 176015 CN1CCN(CC1)C2=C(C=C3C4=C2SCCN4C=C(C3=O)C(=O)O)F.Cl Cl- 1 -1.193 3 3 0 -2.00828736460304 175804 CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C.Cl Cl- 1 3.853 2 1 -9.37532337701307 175540 CC(C)NC[C@@H](COC1=CC=C(C=C1)CC(=O)N)O 1 0.669 2 3 0 -5.4513893075189 175533 CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-] Cc1ccc(cc1)S(=O)(=O)O 1 5.841 1 0 3.55281795618137 174572 CC1=CC(=CC(=C1)OC2=CC=C(C=C2)N)C 1 3.616 1 1 4.24627628717816 174452 C1CCN(C1)CC(CO)O 1 -0.27 1 2 0 -2.58105416672949 173870 CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O.Br Br- 1 3.167 1 2 1.8081603927195 173262 C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)O 1 2.231 2 2 0.967948947791534 172975 CCN1C=CN=C1CC2COC3=CC=CC=C3O2.Cl Cl- 1 2.111 2 2 -1.427086257318 172306 COC1=CC=CC2=C1[C@@H]3CN(C[C@@H]3CO2)CCCCN4C(=O)C5=C(C6=NC(=CN=C6S5)C7=CC=CC=C7)NC4=O.Cl Cl- 1 4.215 5 4 0 -3.43898789416157 171613 C1C2=NN=CN2C3=C(C=C(S3)Br)C(=N1)C4=CC=CC=C4Cl 1 3.606 4 0 0.985706673942891 171296 CN1CCN2C3=C(C=C(C=C3)OC)C4=C2C1=NCC4.Cl Cl- 1 2.172 3 1 1.8399996390707 171275 C1CCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32 1 1.286 2 2 0 -2.66825815623893 170617 CC(CC1=CC(=C(C=C1OC)I)OC)N.Cl Cl- 1 2.179 1 2 -0.119654394537149 170616 C1=CC=C(C=C1)CN2C=NC(=C2C(=O)O)C(=O)O 1 1.486 2 4 0 -8.07581601220697 170530 CC1=NC2=C(C1(C)C)C3=CC=CC=C3C=C2 1 3.389 1 0 1.3185090934901 170476 CC(C)OC1=C(C=C(C(=C1)N)Cl)Cl 1 3.122 1 1 0.106780684317891 170475 C1=CC=C2C(=C1)NC(=N2)C(C(F)(F)F)F 1 3.017 2 0 0.708411148999297 170425 CC1=CC(=O)N2C(=N1)N=C(N2)C(=O)O 1 -1.062 4 3 0 -5.80318132621122 170344 CCC1=C(C(=CC=C1)CC)NC(=O)CN(CC(=O)O)CC(=O)O 1 -1.231 2 5 0 -9.19797448210203 170301 CC1=NN(C(=C1)N)C2=CC=C(C=C2)Cl 1 2.381 3 0 1.96918695868094 170158 CC1=CC(=C(C=C1)NC(=O)CCl)C 1 2.455 1 1 -7.31641327620631 169721 C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2C(=O)O)C(F)(F)F 1 3.959 1 2 -7.14071310954396e-002 169682 C1=CC(=CC=C1CCN)S(=O)(=O)N 1 -3.8e-002 2 2 0 -6.13169964230496 169313 C1=CC=C2C(=C1)C(=C(N2)C(=O)O)CCC(=O)O 1 2.165 1 4 -6.98969820430747 168978 C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45.Cl Cl- 1 2.744 2 3 -10.0331050562379 168928 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C 1 6.492 0 3 -1.33850680191193 168683 CCOC(=O)C1=C(NC(=C(C1C(=O)O)C(=O)OCC)C)C 1 0.47 1 6 0 -15.325547459415 168083 CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CO 1 3.28 2 3 -0.582030231742233 167972 CC(=O)NC1=NC2=CC=CC=C2N1 1 1.007 3 1 0 -1.56315081364952 167825 CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3C[C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C 1 3.577 0 8 0 -5.54024416992811 167793 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CN=CC=C3 1 1.288 2 2 0 -5.52390045294805 167628 C(CSSCCN)N.Cl Cl- 1 -0.273 2 0 0 -1.84683220396302 167520 CC(C)(C1=CC(=C(C(=C1)CN(C)C)O)CN(C)C)C2=CC(=C(C(=C2)CN(C)C)O)CN(C)C 1 4.072 4 2 5.43347865905617 166804 CN(C)C(=O)CCCCCCCCC(=O)N(C)C 1 1.946 2 2 0 -8.13308922082272 166785 C1=CC(=C(C=C1O)O)C(=O)NN 1 -0.144 2 3 0 2.28495207706476 166553 CCCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC=C(C=C3)Cl 1 2.807 4 2 -2.5732351948791 165528 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CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)C(C)(C)C)C 1 2.967 3 6 0 -21.5614147299604 40146960 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)COC3=CC=CC(=C3)C(F)(F)F)C 1 3.285 2 6 0 -16.0860254531863 40111582 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 0.911 3 6 0 -19.753069982186 39994509 C1=CC2=C(C=C1NC(=O)COC(=O)C3=CC=C(O3)Br)NC(=O)N2 1 1.147 3 5 0 -17.448799001727 39951255 C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CCNC(=O)CNC(=O)C4=CC=CC=C4F 1 2.038 3 6 0 -19.7422251005314 39948640 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)N 1 3.216 4 4 0 -3.30033851541324 39948621 CCC1=NOC(=C1C(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C 1 0.776 5 4 0 -16.134622377395 39948272 C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CC3=CC=CC=C3)C(=O)COC4=C(C=C(C=C4)F)Cl)N 1 3.541 4 4 0 -7.27720285682441 39946410 CC1=NC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C43 1 3.718 3 3 -17.7547688017826 39902825 CC1CCC(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 4.208 2 1 -10.8022022940173 39902820 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=NC4=CC=CC=C43)Cl 1 3.185 5 3 0 -9.56982513790371 38679899 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CC2=C(C3=CC=CC=C3N=C2C)C 1 4.229 3 2 -14.2665167342402 38680304 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CC2=NNC(=O)C3=CC=CC=C32 1 2.423 4 3 0 -24.3915556736372 38369388 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CN=C(C=N2)C 1 1.05 4 2 0 -18.2853689948873 38368473 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 0.909 4 4 0 -11.4071917497403 36866541 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N 1 2.066 3 4 0 -16.7420587557456 36321840 CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC 1 2.134 4 4 0 -12.3903422512036 35999276 CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=NC3=C(S2)C=C(C=C3)F 1 2.037 4 3 0 -13.6306208042332 35988305 C1CCCC(CCC1)NC(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 2.806 3 6 0 -20.6213417984844 35969187 C1=CSC(=C1)CNC(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 1.358 3 6 0 -24.4025485105591 35355570 CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C 1 1.99 5 3 0 -11.6738238810187 35028853 CC1=CC(=NC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 3.188 3 3 -16.3374549616778 35023558 CC1=CC=C(C=C1)C(=O)CCC(=O)NC2=NC=C(C=C2)C 1 2.93 2 2 -8.35278779221305 34394849 CC1=C(C=C2C(=C1)C(=CO2)CC(=O)N(C)CC(=O)NC3=CC=CC=C3C(F)(F)F)C 1 4.133 2 3 -8.02191123670687 33809481 CC1=CC(=C(O1)C)C(=O)N2CCC(CC2)C(=O)N 1 0.113 2 3 0 -8.36903907713159 33799673 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=C5O 1 4.748 3 3 -0.336954910178426 33797378 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4O 1 2.213 3 3 -10.0965909543934 32170483 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 1.246 3 4 0 -15.3169220416829 31922768 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)N(C)CC(=O)NC3=C(C(=C(C=C3)F)F)F 1 2.946 3 4 0 -17.5648817327588 31492388 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.172 6 3 0 -12.2069879200832 31185868 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CC2=NNC(=O)C3=CC=CC=C32)OCC 1 1.729 4 5 0 -24.7932934092941 30655149 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3 1 1.671 4 5 0 -15.1760202345033 30565842 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=C(C=CC(=C3)Cl)Cl)C 1 2.714 3 3 -10.3228221413164 30161838 C1=CC=C2C=C(C=CC2=C1)C(=O)NCC(=O)NC3=C(C=CC=N3)O 1 1.729 3 3 0 -5.93356034742264 30111007 CC1=CC(=C(C(=C1)Cl)NC(=O)CSCC2=NC3=C(C(=C(S3)C)C)C(=O)N2)C 1 4.001 3 2 -12.4378017437731 30023938 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=NC=CN=C2N)N 1 -0.646 6 5 0 -20.8458254714843 29968049 CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)NC3=CC=C(C=C3)C(F)(F)F)C 1 3.307 3 2 -11.2035904246237 29929657 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC4=C(S3)CCCC4 1 2.645 4 5 0 -15.5983918541423 29345671 COC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC(=O)CC3=CC=CC=C3 1 2.327 5 3 0 -22.1837602151404 29218346 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 1.103 6 6 0 -26.9584972172222 28670010 C1=CC(=C(C=C1Cl)CNCC2=CC=NC=C2)O 1 2.222 2 1 10.0488868991873 28246686 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)N 1 4.059 4 4 0 -3.2585047139292 27880242 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C4C(=C(O3)C)C(=NNC4=O)C 1 1.929 5 3 0 -10.83891867834 27828455 C1=CC=C(C=C1)SCCCNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 3.05 2 3 -16.9176202124083 27823084 CCOC1=CC=C(C=C1)CN(C)C(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.037 2 3 -7.65888680915918 27793462 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.741 3 4 0 -10.1366319158757 27700310 C1=CC=C(C(=C1)C(=O)NCC(=O)NC2=CC=NC=C2)Cl 1 1.188 3 2 0 -11.8688206639056 27693990 CC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)C2=CC=CC=C2O 1 2.071 2 4 -6.44124979498231 27681776 CN1C2=CC=CC=C2N=C1CC(=O)NNC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl 1 1.815 5 4 0 -13.3808428814592 27663153 CC1=C(C(=NN1CC(=O)NNC(=O)C2=CC=C(C=C2)Br)C)[N+](=O)[O-] 1 1.444 5 4 0 -11.6615342228907 27647413 COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4)OC 1 1.939 4 6 0 -24.3387710017464 27567471 COC1=C(C=CC(=C1)C(=O)NNC(=O)COC2=CC=CC=C2Cl)OCC(=O)N3CCOCC3 1 1.291 3 7 0 -20.4459410329195 27567260 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NNC(=O)COC2=CC=CC=C2Cl)C 1 2.354 3 5 0 -14.0749337376743 27516880 C1CC2=NC3=C(C=CC(=C3)C(=O)NNC(=O)COC4=CC=CC=C4Cl)C(=O)N2C1 1 1.831 4 4 0 -17.1722032254601 27516684 C1CC2=NC3=C(C=CC(=C3)C(=O)NNC(=O)C4=CC=CC=C4Cl)C(=O)N2C1 1 1.996 4 3 0 -14.4588343750885 27513162 COC1=CC(=CC(=C1)C(=O)NNC(=O)CN2C(=O)C3(CCCC3)NC2=O)OC 1 0.377 4 6 0 -13.2798817791124 27227339 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.748 4 6 0 -13.1839713723334 27226960 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 1.717 5 5 0 -20.5340182327869 27199325 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC(=S)N3CCCC3)C 1 3.487 3 3 -19.5496063213645 27163551 C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C3=C(C=CC(=C3)Br)O 1 1.033 4 4 0 -1.35264083719782 26873195 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 2.711 4 4 0 -9.76020829003711 26869038 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C(NC3=O)(C)C 1 2.3e-002 4 6 0 -26.5104975508775 160562 COC1=C(C=C(C=C1)CC(=O)O)O 1 1.236 0 4 0 -0.561949924681537 160559 CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl Cl- 1 4.637 2 1 2.40114497732944 160544 CC1(C(O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C 1 2.485 0 5 -4.13849432162262 160505 CC1=CC(=C(C(=C1)O)C(=O)C2=C(C=C(C=C2C(=O)OC)O)OC)O 1 2.833 0 7 0 -7.85891703644818e-002 160487 COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)O)O 1 2.875 1 3 -1.99384127046081 160453 C1=CC=C2C(=C1)C(=O)N(C2=O)[C@@H](CCC(=O)O)C(=O)O 1 0.53 1 6 0 -15.3683577715251 160364 COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6CCN(CC6)CC7=CC=CC=C7 1 3.722 2 7 0 1.80536103285359 160254 C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C 1 3.761 0 3 0.661931234382981 160212 CC(=O)C(C(=O)NC1=CC=CC=C1)Cl 1 1.413 1 2 0 -5.69077049808244 160115 CC1CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=C3C4=C(C=C(C5=C(C6=C(C=C54)OC(CC6=O)C)O)O)O)O)O 1 3.783 0 10 0 1.04729658229911 159809 CC1C2=C(CCN1)C3=C(N2)C=C(C=C3)OC 1 2.281 2 1 -5.48693710074964 159766 CC1=CC(=O)OC2=C1C=C3C=COC3=C2C 1 3.136 0 3 -1.56951498323646 159668 CN1C=C2C=CC=C(C2=N1)[N+](=O)[O-] 1 1.711 3 2 0 0.919356406231851 159644 COC1=CC=C(C=C1)C2=CSC(=N2)N 1 2.011 2 1 6.76532644132811 159165 CC1=C2C(=C(C3=C1COC3=O)OC)C[C@@H]4[C@]5(CCC(=O)OC([C@@]5(CC[C@@]4(O2)C)O)(C)C)C 1 3.406 0 7 0 -3.17257569143462 158632 C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)CC(=O)O 1 3.311 0 2 -1.01457221192536e-002 158453 CCNC1=NC(=NC(=N1)NC2CCCCC2)Cl 1 2.722 5 0 -4.94602334032677 158365 C1[C@H]2C(=O)N[C@H](C(=O)N2[C@@H]3[C@]1(C4=CC=CC=C4N3)[C@]56C[C@H]7C(=O)N[C@H](C(=O)N7[C@H]5NC8=CC=CC=C68)CC9=CC=CC=C9)CC1=CC=CC=C1 1 3.544 6 4 0 -5.10627200763667 157921 COC(=O)CCC(=O)CN.Cl Cl- 1 -0.995 1 3 0 -9.98312590670336 157082 CC1=CC=C(C=C1)NC(=O)N(C)C2=CC=CC=C2 1 3.215 2 1 -2.52979843512225 156749 C1=CC=C(C=C1)C(CN2C=NC=N2)(C3=CC=CC=C3)O 1 2.308 3 1 -3.88276191304993 156525 C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(O3)C4=CC=NC=C4 1 2.354 5 1 -5.82583641643158 156524 C1=CC=C(C=C1)C2=NN=C(O2)SCC3=NC4=CC=CC=C4N3 1 3.504 4 1 -5.81157240431682 156268 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)O 1 1.09 3 4 0 -3.76631085519455 155937 CC(=CCC1=C2C(=CC(=C1OC)OC)C=CC(=O)O2)C 1 3.723 0 4 -6.26760075792725 155889 C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)NC3=CC=CC=C3C(=O)O 1 5.128 1 2 -3.35876509757874 155874 CCOC(=O)CC(=O)NC1=CC=C(C=C1)C 1 1.821 1 3 0 -5.69589478642303 155806 CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)COC 1 0.883 4 3 0 -10.3111786260475 155322 C1C2CC3CC1CC(C2)(C3)N4C=NC=N4 1 1.938 3 0 0 -1.34933112624819 155256 C[C@@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@@H]1C)OC)OC)OC)OC)OC)OC 1 5.266 0 6 -3.84004247861876 155166 C1=C(C(=CC(=C1Br)Br)Br)OC2=CC(=C(C=C2Br)Br)Br 1 7.88 0 1 1.80060345689599 155107 C1CNCC=C1C(=O)O.Cl Cl- 1 -2.723 1 2 0 -6.63191974239314 154899 CC1=CC=CC=C1C2=NC3=CC=CC=C3O2 1 3.766 1 1 10.1862345566711 154709 C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC=C(C=C3)Cl)N=CC=C2 1 3.168 2 2 -3.28351323015857 154436 CC1=C2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=C(C=C1)C 1 4.19 2 2 2.2518857023123 154096 C1=CC=C(C=C1)N2N=C3C=CC=CC3=N2 1 3.172 3 0 1.16579097282095e-002 153617 C1=CC(=CC=C1C2=NC3=C(N2)C=NC=C3)Cl 1 2.784 3 0 7.3564818382412 153568 CC1=NC(=NC=C1)SC2=C(C=CC=N2)[N+](=O)[O-] 1 2.256 4 2 -7.73898416286719 153434 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)C(=O)O.Cl Cl- 1 4.533 2 2 6.16769378868636 153019 C1=CC2=CC(=CC3=C2C(=C1)C(=O)NC3=O)[N+](=O)[O-] 1 1.459 2 4 0 -3.37372494219176 152817 C1=CC2=C(C=C1[N+](=O)[O-])N(N=N2)O 1 -0.888 4 3 0 -2.08079935013116 152746 COC1=CC(=C2C(=C1)N=CC=N2)[N+](=O)[O-] 1 1.172 3 3 0 -3.02380197557631 152662 CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O 1 2.275 2 2 -7.01321372066758 152647 CCOC1=CC=C(C=C1)NCCC#N 1 1.949 2 1 0 -5.20382570412559 152440 CC1=NSC(=C1C(=O)O)N 1 0.132 2 2 0 -1.3148578955293 152215 CN1CCC(=CC1)C2=CNC3=CC=CC=C32 1 2.699 2 0 0.910703914705871 152190 C1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 1 1.059 3 2 0 -7.00457898067186 151963 CC(=O)NC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2 1 2.822 1 2 -2.83871448749009 151922 C1=CC=C(C=C1)CCCCCCCCCCCC(=O)O 1 6.056 0 2 -6.96729875793237 151916 C1=CC=C(C=C1)C2=CC(=NO2)C(=O)O 1 2.152 1 3 0.24808360564673 151814 C1=CSC(=C1)C(=O)CCC(=O)C2=CC=CS2 1 3.096 0 2 -5.73838672767977 151802 C1=CC=C2C(=C1)N=NN2C3=CC=CC=N3 1 2.605 4 0 -1.33520269486188 151689 C1CCC(C(C1)N)N.Cl[Pt]Cl Cl[Pt]Cl 1 -4.6e-002 2 0 0 -1.16096184057519 151533 C1=CC(=CC=C1NC(=O)COC2=CC=C(C=C2)Cl)S(=O)(=O)N 1 1.819 2 4 0 -8.21407529323202 151506 CS(=O)(=O)NC1=CC=CC2=C1N=CC=C2 1 0.927 2 2 0 -5.91756758690594 151393 C1=CC(=CN=C1)CNC2=CC=C(C=C2)C(=O)O 1 1.701 2 2 0 -6.14144834354606 151368 CC(=O)NC1=CC2=C(C=C1)NC3=CC=CC=C32 1 2.443 2 1 -0.305732673660848 151352 CC1=CC(=CC=C1)OC2=CC=C(C=C2)N 1 3.129 1 1 6.72069175384123 151245 C1=CC=C(C=C1)C2=C(OC(=O)N2)C3=CC=CC=C3 1 2.735 1 2 -2.89079076865148 151186 COC1=C(C=C2C(NCCC2=C1)C3=CC=CC=C3)OC 1 3.021 1 2 -12.733406318385 151091 C1=CC(=CN=C1)C2=NNN=N2 1 0.148 5 0 0 -1.30353132697814 150655 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCO 1 2.684 2 1 5.75139152571169 150653 CCOC1=CC=C(C=C1)CN2CCC(=O)NC2=O 1 1.209 2 3 0 -8.19300901532431 150365 C1CSC(N1)C(C(C(C(CO)O)O)O)O 1 -2.166 1 5 0 -6.81884771302151 149800 C1=CC=C(C=C1)CNC2=C3C=CC=CC3=NC4=CC=CC=C42 1 4.745 2 0 4.26799137364608 149654 CC(CO)(CO)NCC1=CC=C(C=C1)C2=CC=CC=C2.Cl Cl- 1 2.04 1 2 2.70093882595973 149270 CN1C2=C(N=C1OCCCN(C)C)N(C(=O)N(C2=O)C)C.Cl Cl- 1 0.626 5 3 0 -8.40942823976462 149241 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=CC(=C4)C(=O)O 1 4.533 2 2 6.52264610903275 149110 CC1(C2=C(CCN1)C3=CC=CC=C3N2)C(=O)OC 1 2.181 2 2 -5.12820820809269 148931 CN1C2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C31 1 3.423 2 2 3.10964678391993 148793 C([C@H](CCl)O)O 1 -0.204 0 2 0 -0.785023053136116 148769 CC1=CC(=O)OC2=CC(=C(C=C12)OC(=O)C)OC(=O)C 1 1.881 0 6 0 -5.22745599583083 148737 COC1=CC=C(C=C1)CN2CCC(=O)NC2=O 1 0.861 2 3 0 -7.42678586361629 148673 COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl Cl- 1 3.797 3 3 1.21848857539375 148620 C1=CC=C(C(=C1)N)S(=O)(=O)C2=CC=CC=C2N 1 1.439 2 2 0 -5.20536176455907 148471 C1=CC(=CN=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 0.878 3 4 0 -3.5930481839196 148023 C1=CC(=CN=C1)NC(=O)C2=CC=CO2 1 0.859 2 2 0 -3.83292535989289 147560 CCC1=C(N=C(S1)N)C2=CC=CC=C2 1 2.839 2 0 8.2597857235233 147514 C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3.Cl Cl- 1 2.631 1 2 -3.38964412805879 147354 C1CCN(CC1)CCC(=O)C2=CC3=C(C=C2)OCO3 1 2.509 1 3 -0.845844418933316 147001 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=CO3)O 1 1.861 2 3 0 -7.6875715103199 146962 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCOCC3 1 -1.147 5 4 0 -23.9948022694722 146420 CC1=C2C3=CC=CC=C3N(C2=C(C=C1)C)C 1 4.501 1 0 2.03865797811451 146251 CC1=CC(=O)OC2=CC3=C(C=C12)C(=CO3)C 1 3.136 0 3 -2.93064832095109 145924 CC[Se]CCC(C(=O)O)N 1 -1.999 1 2 0 -7.02506166742384 145949 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)O 1 1.821 1 4 0 -6.64739864324321 145758 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCO 1 2.622 2 1 5.273866231959 145704 C1CCCN(CC1)C(=O)C2=CC=CC=C2 1 2.617 1 1 -5.63264358430062 145685 C1=C(NC=N1)CC(=O)O.Cl Cl- 1 -0.327 2 2 0 -1.57792378047251 145611 CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)Cl 1 3.128 1 2 -4.16673785783434 145454 CC1(C2CCC13CS(=O)(=O)NC3C2)C 1 0.765 1 2 0 -1.46972282344983 144246 C1=CC(=C(C=C1Cl)C(=O)NN)Cl 1 1.669 2 1 0 -1.18320445350435 144113 C1=CC=C(C=C1)C2=NC(=O)C=C(S2)O 1 2.562 1 2 -0.229581253363723 144053 CC1(N(C2=CC=CC3=C2C(=CC=C3)N1C)C)C 1 2.98 2 0 0.912478685435877 143371 CCCNC1=CC(=O)CC(C1)(C)C 1 1.721 1 1 0 -14.8617150762902 143337 CC1CC(NCCNC(CC(NCCN1)(C)C)C)(C)C 1 0.455 4 0 0 -5.00239161414913 143191 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C=O 1 2.371 1 3 -6.21515109987841 142936 CC1=CNC(=C1C(=O)OC)C 1 1.41 1 2 0 -4.36037894987967 142278 C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)O 1 2.877 0 3 -1.47771673226551 142205 CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)O)C 1 2.171 1 4 -11.1856363728281 142164 CN1CN(C2=CC=CC3=C2C1=CC=C3)C 1 2.863 2 0 0.483983500092757 141870 CC(C)(C)C1=CC=C(C(=O)C1=O)C(C)(C)C 1 3.409 0 2 -0.526803089392962 141707 CC1=C(C=CC(=C1)[N+](=O)[O-])N(C)C 1 2.372 2 2 -3.34059843286127 141385 CC(C)CC1(C(=O)NC(=O)N1)C 1 0.867 2 2 0 -6.21586163320071 141040 C1=CC=C(C=C1)NC2=NNN=N2 1 1.113 5 0 0 -1.13099011279577 140917 C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)O)O)N 1 1.827 2 2 0 2.32689707526892 140901 CC(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2 1 2.755 2 1 -6.69737146697645 140457 CC1=NC2=C(C=CC=C2N)C=C1 1 1.552 2 0 0 1.14605037299625 140002 C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 4.405 1 1 2.16644365443547 139941 CN(C)C(=S)C1=CC=CC=C1 1 2.667 1 0 -2.52321602128051 139739 C1=C(C(=C(C(=N1)C(Cl)(Cl)Cl)Cl)N)Cl 1 3.222 2 0 1.92032776317988 139538 CN1C2=CC=CC=C2OC1=S 1 3.065 1 1 3.31471507615804 139410 C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC(=CC=C2)Cl 1 3.851 2 1 -0.217895654878426 139369 COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2 1 2.598 1 2 -4.99394199889972 139157 C1=CC=C(C=C1)C=NNC2=NNN=N2 1 1.182 6 0 0 -3.57252162663055 139143 C1=CC=C2C(=C1)C=C3C=CC=CC3=[N+]2[O-] 1 2.509 1 1 2.19982424406376 139033 C1=CC=C(C=C1)C2=NN=NN2C3=CC=CC=C3 1 2.642 4 0 -4.92169917652679 139030 C1=CC2=C3C(=C1)C(=CC(=O)C3=CC=C2)O 1 2.242 0 2 2.37110733011129 138928 C1=CC=C(C=C1)C2=NC(=CS2)C(=O)O 1 2.268 1 2 0.169210286333509 138888 C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2C(=O)O 1 3.918 1 2 -6.49559964650027e-002 138884 COC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)C(=O)NC3=CC(=CC=C3)OC 1 3.366 2 4 -6.75798620267144 138721 CC(=NCCN=C(C)CC(=O)C)CC(=O)C 1 -4.7e-002 2 2 0 -4.90194249875399 138708 C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3 1 4.929 0 2 -3.88406591298879 138666 CC(=O)NC1=CC=CC2=C1C(=O)NC2=O 1 -0.224 2 3 0 -9.81420800574845 138628 CCOC(=O)C1=CC(=NN1)C2=CC=CC=C2 1 2.716 2 2 -0.814551047175689 138596 C1=CC(=C(C=C1Cl)Cl)C(=O)NN 1 1.669 2 1 0 0.535633980759629 138554 CC(=O)NS(=O)(=O)C1=CC=CC=C1 1 0.525 1 3 0 -8.0705756043697 138500 CCCOC1=CC=C(C=C1)C(=O)O 1 2.315 0 3 -2.28013279664582 138495 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CO 1 1.583 1 5 0 -5.84553025367096 138324 COC1=C(C=C(C(=C1)CC(=O)O)Br)OC 1 2.21 0 4 -5.42311849671594 138281 C1CC(CCC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 3.836 0 1 0.57535794783838 138265 CCCCOC1=CC=CC=C1N 1 2.395 1 1 -2.11145360808583 138101 CC1=NN=C(O1)C2=CC=CC=C2 1 1.389 2 1 0 -1.06621229331569 137946 CN1C=CC(=N1)C2=CC=CC=C2 1 2.426 2 0 2.39958837250221 137903 CC1(CC(=CC(=O)C1)N2CCCC2)C 1 1.846 1 1 0 -8.3810688438156 137882 C1=CC=C(C=C1)C2=NC=CC3=CC=CC=C32 1 3.534 1 0 4.77250399353817 137805 C1=CC=C2C(=C1)NC(=N2)SCC(=O)O 1 1.91 2 2 0 -6.19116346517818 137736 CN(C)C1=CC=C(C=C1)C=C(C#N)C#N 1 2.177 3 0 -2.6097516565078 137780 CN1C2=NC3=CC=CC=C3N=C2C(=O)N(C1=O)C 1 1.408 4 2 0 -6.29151203017906 160876 COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC5=C(C4=C3)OCO5)OC 1 3.962 1 4 0.623193059479868 160818 C1=CC=C2C=C(C=CC2=C1)N(CCO)CCO 1 1.821 1 2 0 0.994937538693165 160782 CCOC(=O)C1=CC(=O)NC2=CC=CC=C21 1 1.416 1 3 0 -9.71595265998194 160729 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC=N2)OC 1 0.721 4 4 0 -11.9555322560718 137610 CC1=CC2=CC=CC=C2C=C(C1=O)C 1 3.223 0 1 0.814294185327644 137494 CCN1C2=CC=CC=C2C(=O)C3=CC=CC=C31 1 3.509 1 1 1.92296289232173 137482 CCOC(=O)C1=C(NC(=C1)C)C 1 1.418 1 2 0 -4.87702479480832 137481 CCOC(=O)C1=C(NC=C1C)C 1 1.759 1 2 0 -3.8990083114954 137479 CCOC(=O)C1=C(C(=C(N1)C)C)C 1 2.537 1 2 -6.34455825110956 137292 C1=CC=C(C=C1)C2=CC(=NO2)C3=CC=CC=C3 1 4.04 1 1 5.9301059701802 137041 CC1(CC(=CC(=O)C1)NC2CCCCC2)C 1 2.707 1 1 -14.8736275359457 136999 C1=CC(=CC=C1C2=NC(=O)C=C(S2)O)Cl 1 3.226 1 2 2.0669338535383 136951 COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC 1 2.49 2 3 -3.37973112072801 136949 CN(C)C1=CC=C(C=C1)C=C(C#N)C2=CC=CC=C2 1 3.817 2 0 -8.67897046603264 136944 CC1=CC(=O)OC2=C1C(=O)OC(=C2)C 1 1.017 0 4 0 -6.23455717380799 136765 CC1=NN(C(=O)C1(C)C)C2=CC=CC=C2 1 2.002 2 1 -0.264831589236677 136747 CCOC(=O)C1=C(NC=C1)C 1 1.273 1 2 0 -4.67876235746107 136693 C1=CC=C(C=C1)N2C3=CC=CC=C3N=N2 1 3.217 3 0 -0.456297500085554 136624 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)N 1 1.875 2 1 0 2.43498398978516 136620 CC(=O)NC1=CC2=CC=CC=C2OC1=O 1 0.724 1 3 0 -6.67416104104275 136420 COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)OC)OC 1 2.817 0 5 -1.12808133359787 136417 COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3O)OC)OC)OC)OC)OC 1 2.5 0 9 0 -2.12435244113855 135728 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O)O)O)O 1 4.814 0 10 0 -0.694266520394419 135191 C1[C@H]([C@@H]([C@H](C(O1)O)O)O)O 1 -2.003 0 5 0 -1.76487352840298 135128 CC1=NC(=C(C=C1)O)CO 1 0.33 1 2 0 2.14237698448682 135035 CC1=C(C(=NO1)C)CN2C(=O)C3=CC=CC=C3C2=O 1 1.328 2 3 0 -7.80543125854904 135005 C1=CC=C2C(=C1)N=C(O2)C3=CC=CC=N3 1 2.558 2 1 7.14931745288573 134684 C1=CC=C(C=C1)CCCNC2=NC=NC3=C2NC=N3 1 1.998 5 0 0 -1.76021614345506 134551 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O 1 3.795 5 5 0 -7.23762555250607 134453 CNCCC(C1=CC=CC=C1)OC2=CC=CC=C2OC.Cl Cl- 1 3.074 1 2 -3.5153609569922 134450 C1C2=CC=CC=C2C3=NC(=NN31)C4=CC=C(C=C4)Cl 1 3.758 3 0 7.347678868971 134230 CC(=O)OCCNC(=O)C1=CN=CC=C1 1 -0.273 2 3 0 -11.4943246353737 133721 C1=CC=C(C(=C1)C(=O)NCC(=O)O)Br 1 1.268 1 3 0 -9.81823694655301 133633 C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC3=CNC4=CC=CC=C43 1 3.733 2 1 9.86766744947409 133407 CN(C)CCCN1C2=C(CCC3=C1C=CC(=C3)[N+](=O)[O-])C=C(C=C2)[N+](=O)[O-] 1 4.176 4 4 0 -0.590598082939506 132862 CN=C(N)NCCC[C@@H](C(=O)O)N 1 -3.625 4 2 0 -11.0330180879784 132837 CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 4.882 2 3 -9.00772939764421 132771 CCN(CC)CCSC1=NC(=C(C(=O)N1)C(C)C)O.Cl Cl- 1 2.884 3 2 -13.1463425676511 132496 CCCCCCN(CCCCCC)C(=O)CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F 1 8.069 2 1 -4.71533939596298 132441 C1C(CN(C1=O)CC(=O)N)C2=CC=CC=C2 1 4.e-002 2 2 0 -6.51434815754822 132163 COC(=O)NC1=NC2=C(N1)C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43 1 2.319 5 3 0 -8.81079713539237 131747 C1CN(CCC1N)C2=NC(=CC=C2)Cl 1 0.777 3 0 0 1.6184084928902 131746 C1CN(CCC1N)C2=NC(=CC=C2)Cl.Cl Cl- 1 0.777 3 0 0 1.6184084928902 131673 CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)C)OC(=O)C)O 1 4.61 0 7 0 -2.46305776189323 131411 CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3 1 5.316 2 3 2.15173543313406 131349 CC(=O)N[C@@H](CC1=CC=CC=C1)C2=CC(=CC(=O)O2)OC 1 1.302 1 4 0 -4.71479561364077 130919 C1CC2=NC3=CC=CC=C3C(=O)N2C4=NC5=CC=CC=C5C(=O)NC41 1 1.941 4 2 0 -8.72960426484258 130802 C1=CC=C2C(=C1)C3=C(N2)C=CN=C3 1 2.172 2 0 3.59929608100669 130398 C1COCCOCCOCCOCCN1CC2=CC=CC=C2 1 1.198 1 4 0 1.29105647493112e-002 129791 CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC.Cl Cl- 1 2.711 2 4 -12.5267828349651 129407 CN(C(CN1CCCC1)C2=CC(=CC=C2)OCC(=O)O)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl Cl- 1 1.249 2 4 0 -6.56227815128506 128894 CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CS2 1 2.335 1 3 -10.2223782429744 128847 COC1=CC=C(C=C1)C(=O)NCC(=O)O 1 0.503 1 4 0 -10.3802168259568 128748 C1=CC=C(C=C1)C2=CC(=NN2CCO)C3=CC=CC=C3 1 3.697 2 1 2.83263596084722 128356 C1=CC=C(C=C1)C2=C(C(=O)OC2CCC(=O)O)O 1 1.408 0 5 0 -8.36803564256781 128355 C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)NC4=CC=CC=C4C(=O)O 1 4.978 2 3 1.64229804839364 127522 CC1=CC2=C(C(=CC(=O)O2)C)C3=C1C(=CO3)C 1 3.622 0 3 -3.5911944676828 127053 CCC(C)N1CCCCC1C(=O)NC2=C(C=C(C=C2C)C)C.Cl Cl- 1 4.717 2 1 -7.60759149844259 126623 CN(C)CCCN1C(SCC1=O)C2=CC=CC=C2.Cl Cl- 1 1.863 2 1 0 -10.2532755499863 126157 CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N 1 2.252 2 1 -8.5186144281893 126154 C1C[C@H]2C(=O)NCC(=O)N2C1 1 -1.079 2 2 0 -6.38222633568657 126054 C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)CC(=O)NCCN)NC3=NC=NC4=C3N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O 1 -0.988 8 6 0 -21.4382472822214 125820 C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)O)Cl 1 3.593 2 2 -1.41073551476282 124887 C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)NCCCCCCN.Cl Cl- 1 3.039 2 2 -8.93587619763781 124886 C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N 1 -4.772 3 6 0 -23.4444217910454 124293 CC(C1=CC=CC=C1)NC2=NC=NC3=C2NC=N3 1 1.598 5 0 0 -1.92425982112281 124095 COC1=CC=C(C=C1)C=NNC2=NN=CC3=CC=CC=C32 1 2.624 4 1 2.86279167158926 124052 CC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C=C(C=C4)O)O)C 1 3.999 0 4 -0.31123971326644 124050 CC1(CCC2=C(O1)C=C3C(=C2OC)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)C 1 4.383 0 6 -3.06620613776314 123814 CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)N 1 -0.663 8 8 0 -27.4636772907604 123738 C1CN(CC(=C1)C(=O)O)CCON=C(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 0.642 2 3 0 -4.20679419203795 123683 CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)O)O 1 7.e-002 6 4 0 -8.49495540221038 123664 CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1[C@H](O1)C(=O)O 1 1.037 2 5 0 -21.6067508730222 123596 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O CS(=O)(=O)O 1 3.583 7 1 0 -2.36852051626394 123504 C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)O 1 3.656 0 2 2.99094950537997 123450 C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)O 1 2.408 1 3 -2.1351060427672 123435 C1COCCNCCOCCOCCN1 1 -1.188 2 3 0 -6.6990627692077 123191 CN1C2=CC=CC=C2N(C1=S)C 1 3.243 2 0 -1.13055410414162 123155 C1=CC(=CC=C1N2C=CN=C2)[N+](=O)[O-] 1 1.394 3 2 0 -1.2111684304012 123054 C1=CC(=CC=C1N)SC(F)(F)F 1 3.761 1 0 6.13217152319839 123023 C1=CC=C(C=C1)[N+]2=NOC(=C2)[O-] 1 1.433 2 2 0 -5.14942848879348 122926 C1=C(NC=N1)CO.Cl Cl- 1 -0.81 2 1 0 2.7894148130911 122909 CCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O 1 4.665 0 2 3.20198504665437 122850 C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O 1 1.721 0 6 0 3.81746760045425 122811 C[C@H]1CC=C[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)C=CC(=O)[C@@H](C(=C1)C)O)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C 1 3.866 2 5 0 -1.1303388030609 122765 C1=CC(=CC=C1C(=N)N)N.Cl Cl- 1 0.14 3 0 0 -0.666232943078345 122737 CN1C2CC(C1C3CC4=C(C(N3C2C#N)CO)C(=CC=C4)OC)C(=O)O 1 -1.894 3 4 0 -5.62432253094124 122487 C1CC2=C(C1)N=C3N=CNN3C2=O 1 -0.319 4 1 0 -6.67961083281052 122188 CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO.Cl Cl- 1 1.467 5 5 0 -10.0132352628074 121930 C1CN(CCN1CCC2=CC=C(C=C2)N)C3=CC=CC(=C3)C(F)(F)F 1 4.049 3 0 14.0099170614721 121919 C1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)CC(=O)NN 1 1.617 4 2 0 1.10185189929214 121896 CN1CCC2=C(C1)NC3=CC=CC=C23 1 2.349 2 0 2.53538319654275 121880 CCCCN1CCC(CC1)COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl.Cl Cl- 1 3.406 2 4 -1.99891278445558 121848 CC(C)(C)NCC(CON=C1C2=CC=CC=C2C3=CC=CC=C31)O 1 3.052 2 2 -3.89017739642541 121841 C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O 1 -13.659 4 8 0 -4.61379853204977 121637 COC1=CC=C(C=C1)C2=CC(=O)C=CC2=O 1 2.15 0 3 2.45562856949481 121397 C1C(CNC1=O)C2=CC=CC=C2 1 0.98 1 1 0 -3.95722020693918 121269 C1=CN=CC=C1C2=NN=C(S2)N 1 0.331 4 0 0 1.42778295947541 121216 CCN(CC)CCNC(=O)C1=CC=CC=C1N 1 1.127 3 1 0 -7.49579487202013 121051 CC(=O)NCCC1=CC=C(C=C1)O 1 1.036 1 2 0 -3.52827945489054 121024 C1CCC2=C(C1)C3=C(O2)C=CC(=C3)O 1 3.274 0 2 1.81236464584404 120879 CC1C23CC(C14C5(C2N(CC5)CC=C3)C6=CC=CC=C6N4)C(=O)OC 1 2.094 2 2 -0.165667987108779 120774 CN(C)C1=CC=C(C=C1)C2NCCS2 1 2.162 2 0 -10.2729740187844 120587 C1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.651 1 3 -14.5765160497805 120526 C1CCN(CC1)CNC(=O)C2=NC=CN=C2 1 0.203 4 1 0 -8.99916242799661 120501 C1CCN(CC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 4.34 1 1 0.627656604036896 120497 CCN(CC)CC#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O 1 4.12 1 1 -3.04927615276838 120432 C=CCN1C(=O)C2(CCCCC2)NC1=O 1 1.59 2 2 0 -7.54087056530252 120394 COC1=CC=CC=C1OCCOCCN2CCCC2 1 2.266 1 3 -3.12434937691818 120172 C1=CC=C(C=C1)C(O)P(=O)(C(C2=CC=CC=C2)O)O 1 2.097 0 4 -3.17749300306521 120171 C1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C41)C(=O)O 1 4.193 1 2 1.36114979500549 120160 C1=C(NC=N1)CCN.Cl Cl- 1 -0.851 3 0 0 0.858213788437042 120116 CC1=NC=C(N1CCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-] 1 0.883 4 4 0 -8.67135689386864 120054 CC1=CC(=O)N(C(=C1C#N)O)CCO 1 6.7e-002 2 3 0 -2.34168477266987 120053 C1=CC=C2C(=C1)C(=O)NC3=C(N2C(=O)CCl)N=CC=C3 1 1.608 3 2 0 -7.70134690360493 120035 C1CC2=C(C1)NN=C2C3=CC=CC=C3 1 3.147 2 0 3.98771042129621 120000 CC(=O)C1=CC2=C(C=C1N)OCO2 1 0.591 1 3 0 -5.47652378978701 119879 CCN1C(=O)C=C(C(=C1O)C#N)C 1 0.955 2 2 0 -1.99345682852525 119702 COC1=CC=CC(=C1)NC2=CC=CC=C2C(=O)O 1 2.993 1 3 7.77966301444032e-002 119683 CC1=CC(=CC=C1)NCCC#N 1 2.103 2 0 -1.29800441522491 119555 CC1C(N1CC(CN2C=CN=C2[N+](=O)[O-])O)C 1 0.56 4 3 0 -3.53380822319196 119442 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C(=C2)OC)OC)OC.Cl Cl- 1 5.518 2 5 0 -5.77412575770974 119376 CN1C=C(C2=CC=CC=C21)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C 1 1.856 3 4 0 -7.22100166718576 119163 COCCNC(=O)CN1C=NC(=N1)[N+](=O)[O-] 1 -0.86 5 4 0 -18.5412636976244 119040 CC(C)[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O 1 0.693 1 6 0 2.16128800435769 118982 C1CCC(=O)N(CC1)SC2=CC=CC=C2 1 2.914 1 1 -3.95899178229892 118929 C1=CC(=CN=C1)CNC(=O)N 1 -0.404 3 1 0 -7.35545189506092 118907 CCOC(=O)COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)OCC(=O)OCC 1 3.215 0 8 0 -9.10808796366442 118853 C1CCN(C1)C(=O)NC2=CC=C(C=C2)Cl 1 2.277 2 1 -3.22611676185764 118752 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCC3=CC=CC=C32 1 3.302 1 4 -12.142971431492 118627 C1=CC(=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)N)N 1 1.439 2 2 0 -7.02851869124369 118364 C1CC2=CC=CC=C2NC3=C1C=CC(=C3)Cl 1 4.645 1 0 1.87218381056289 118264 CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OC.Cl Cl- 1 2.03 2 2 -5.44561802186307 118004 C1CCNC(C1)CC2=CC=CC=C2 1 2.634 1 0 -2.42277441645466 117636 C1=CC=C(C(=C1)C(=O)O)NCCO 1 0.729 1 3 0 -2.00165857201315 117071 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)N)Cl)C 1 3.207 2 2 -0.74407067134899 116246 CC1=C(C(=CC=C1)NC(=O)C2=CN=CC=C2)C 1 2.436 2 1 -5.02862536044538 116016 CC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2N)[N+](=O)[O-] 1 2.836 2 3 -5.19866324031643 115990 CC1=C(N=NN1C2=CC=CC=C2)C(=O)O 1 1.792 3 2 0 -7.72704161841831 115936 CC(C)OC1=CC=C(C=C1)C(=O)CCN2CCCCC2 1 3.451 1 2 -0.147168864621263 115931 CC(C)COC1=CC=C(C=C1)C(=O)CCN2CCCCC2.Cl Cl- 1 3.916 1 2 -2.08276922587139 115367 C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54.Cl Cl- 1 3.421 4 2 0.320374523387369 115368 C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54 1 3.421 4 2 0.320374523387369 115162 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C.Cl Cl- 1 2.779 3 5 0 -8.60123778130656 115027 C1CN2CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl Cl- 1 3.228 1 1 3.10627816563285 114917 CC1=CC=CC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C 1 4.084 0 3 1.03913979117746 114850 C1C[C@@H]2[C@H]3CCC[N+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-] 1 0.61 2 2 0 -8.00804261594962 114811 CS(=O)(=O)C1=CC=C(C=C1)[C@H]([C@@H](CF)NC(=O)C(Cl)Cl)O 1 1.597 1 4 0 -12.7202876720118 114705 C1[C@H](O1)C2=CC=CC=C2 1 1.481 0 1 0 0.659353067806969 114641 C1=CC=NC(=C1)C=CC2=CN=CC=C2 1 1.943 2 0 0 1.70842783656738 114619 C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3 1 4.222 2 5 0 -16.3601648783259 114547 CCN(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O 1 4.197 1 1 -1.8456371367033 114429 CC1=C(C=C2C(=C1O)C(=O)CC(O2)C3=CC=CC=C3)O 1 3.102 0 4 2.79048837412035 114337 C1CCN(C1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 3.488 2 1 0.188703604749317 114298 CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)SCC.[I-] I- 1 3.981 1 1 6.79723563718727 114285 CC1=CC2=C(C=C1OC)SC(=N2)C 1 2.644 1 1 1.27834225962081 114269 CC1=NC2=C(N1C)C=CC(=C2)C(F)(F)F 1 2.754 2 0 6.9094541169672 114250 CCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2 1 3.073 1 2 0.287800063669373 114244 CN(C)CCOC(=O)CCC1=CC=CC=C1.Cl Cl- 1 2.315 1 2 -4.95269240799079 113639 C1=NC(=NN1CC(=O)NCCO)[N+](=O)[O-] 1 -1.269 5 4 0 -15.5044389417803 113402 CC1=CC(=O)N2C(=N1)N=C(N2)C(=O)OC 1 -0.837 4 3 0 -6.8915558522989 113158 CN(C)CCNC(=O)C1=CC=CC=C1 1 1.176 2 1 0 -5.45936910126434 113052 C1=CC2=C(C=CC=C2O)C(=C1)N.Cl Cl- 1 1.749 1 1 0 3.74365929719267 113058 COC1=CC=CC=C1NC(=O)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.413 2 5 0 -9.08478017452225 113080 CSC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)[O-] 1 0.516 1 3 0 -2.08736285678766 110665 CN(C)CCC(C1=CC=CC=C1)O 1 1.455 1 1 0 -2.77451011822401 110119 CC[N+]1=C(C(C2=C1C=CC(=C2)C)(C)C)C.[I-] I- 1 3.418 1 0 8.25333673729303 109673 CC1=C(C=CC(=C1)N)N2CCCC2.Cl Cl- 1 2.192 2 0 5.1165682388644 109265 CCCCCCC(C)OC(=O)C1=CC=CC=C1C(=O)O 1 4.39 0 4 -10.7599981790593 109070 C1COCCOC2=CC=CC=C2OCCOCCOCCOC3=CC=CC=C3OCCOCCO1 1 2.577 0 9 0 -2.50076143776602 108667 CCN(CC)CCCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl Cl- 1 3.513 1 3 -6.54568731789419 108661 C1COCCN1C2=C(C=C(C=C2)N)Cl 1 1.597 2 1 0 3.57523390672967 108474 C1CC(=O)NC1C(=O)OCC2=CC=CC=C2 1 1.055 1 3 0 -10.7549070088109 108201 CC(C)(C)NC1=NC(=NC(=N1)N)Cl 1 1.364 5 0 0 -5.49863908081845 108104 COC1=C2C(=C3C(=C1)C=CC(=O)O3)C=CO2 1 2.187 0 4 -3.80801438180251 108029 COC1=CC2=C(C=C1)NC=C2C3=CCNCC3 1 2.147 2 1 -1.90307974937208 107982 CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC 1 4.354 1 3 -16.9810751931481 107966 COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O.Br Br- 1 3.256 3 3 0.29956040404713 107957 C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.O H2O 1 2.021 0 6 6.841152020484 107950 CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)C(F)(F)F 1 3.003 4 0 2.40562337028933 107807 CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O 1 -0.268 2 5 0 -14.0369654747425 107794 C1=C(C(=CC(=C1O)O)O)CC(C(=O)O)N 1 -2.331 1 5 0 -0.919722444887255 107544 C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CC3=CC=C(C=C3)O)N 1 2.695 2 2 -0.809145847634162 107537 CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=CC=C3 1 3.451 4 1 3.25289267624701 107346 C1CCN(C1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3.Cl Cl- 1 3.779 1 1 -4.37614639561559 107342 CCC(C1=CC=C(C=C1)OC(=O)CC)C(CC)C2=CC=C(C=C2)OC(=O)CC 1 6.545 0 4 -6.56357503698405 105268 COC1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N 1 2.617 5 1 6.43036140459911 105008 C[C@]12CC[C@H]3C(=CC(=O)[C@H](O3)C(C)(C)O)[C@@]1(CC[C@@H]4[C@@]2(C5=C(C4)C6=CC=CC=C6N5)C)O 1 3.9 1 4 -1.32881402109012 104895 CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2C[C@@H](CC[C@H]2CCCO)O)O 1 6.162 0 3 3.58097836861107 104858 C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N 1 -4.295 4 7 0 -24.757398324904 104769 CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O.Cl Cl- 1 1.978 1 4 0 -9.76056221485416 104758 CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(S3)C(=O)N[C@@H](CCC(=O)O)C(=O)O 1 1.528 4 6 0 -19.296703028289 104563 CCCN1C(=CC(=O)N(C1=O)C)N 1 5.3e-002 3 2 0 -6.47637797189494 104454 CCOC(=O)CC1=CSC(=N1)N 1 0.748 2 2 0 -5.07696325812457 104452 C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=C(C=C3)Cl 1 3.197 2 1 -8.4232227806077 104164 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N 1 0.696 1 3 0 -7.2894229766793 103958 CS(=O)(=O)NC1=CC=CC=C1OC2=CC=CC=C2 1 2.301 1 3 -4.53941690167829 103914 CC1=[N+](C2=CC=CC=C2C=C1)CCCS(=O)(=O)[O-] 1 2.e-003 1 3 0 -2.00341216945935 103792 CCN(CC)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)C.Cl Cl- 1 4.568 1 1 -3.56224423177106 103345 CC1=CC2=C(C=C1)SC(=[N+]2CCCS(=O)(=O)[O-])C 1 0.319 1 3 0 -6.61294762059623 103148 CC1=NC2=C(C=C1)C=C(C=C2)N 1 1.552 2 0 0 3.97763550456728 102928 COC1=CC=C(C=C1)C2CC(=O)C3=CC=CC=C3O2 1 3.083 0 3 9.78094246773938e-002 102777 C1=CC=C(C=C1)COC(=O)NCCCC(C(=O)O)NC(=O)OCC2=CC=CC=C2 1 3.278 2 6 0 -17.1817664711909 102544 C1=CC(=CC=C1CC(C(=O)O)N)OC2=CC=C(C=C2)O 1 -0.287 1 4 0 0.49037851373061 102484 C1=CC(=CC=C1C(CN)O)O.Cl Cl- 1 0.183 1 2 0 1.25048376722383 102426 CC(CNC1CCCCC1)OC(=O)C2=CC=CC=C2.Cl Cl- 1 3.523 1 2 -5.32340984147619 102198 C1=NC2=C(C(=N1)N)N=CN2C3[C@H]([C@@H]([C@H](O3)CO)O)O 1 -1.881 5 4 0 -12.3597952242505 102185 CC1(N=C(N=C(N1C2=CC=CC=C2)N)N)C.Cl Cl- 1 0.313 5 0 0 10.3817292119119 102175 CNC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 1 -1.798 5 4 0 -12.8409262121517 101991 CCCC1C(=C(NC(=C1C(=O)OCC)C)C)C(=O)OCC 1 2.449 1 4 -16.224050992836 101967 C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O)O 1 3.182 0 3 -7.19856903602294 101931 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C 1 3.963 0 3 -16.2835328972475 101925 CCCNC(C)(C)COC(=O)C1=CC=CC=C1.Cl Cl- 1 2.743 1 2 -7.53362586856088 101848 C1=C(OC(=C1)[N+](=O)[O-])C=NN=CC2=CC=C(O2)[N+](=O)[O-] 1 2.323 4 6 0 0.871338766673473 101744 C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O 1 2.75 2 1 1.21019007143903 101526 COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.Cl Cl- 1 -0.702 3 4 0 -7.67558711617548 101521 CC(=O)C1(CCNCC1)C2=CC=CC=C2 1 1.435 1 1 0 -8.98198001549859 101504 CNC(=O)C1=C(N=CN1)C(=O)NC 1 -1.147 4 2 0 -9.6525093950361 101482 C1=CC(=CN=C1)C=NN=CC2=CN=CC=C2 1 1.194 4 0 0 0.854232570322009 101479 CC1=CC=CC=C1NC(=O)CCl 1 1.969 1 1 0 -7.11876495521953 101459 CCSC1=NN=C(S1)N 1 0.989 3 0 0 -6.33863826931072 101383 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCC(=O)O 1 2.049 1 3 -14.1125836833533 101312 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 4.411 1 1 -7.93475971351984 101259 C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)F 1 3.476 2 0 7.1517287281354 101246 C1=CC=C(C=C1)NN2C(=O)C3=CC=CC=C3C2=O 1 2.461 2 2 -2.16483029796811 101196 CC1=CC(=CN2C1C(=C(C(=C2C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C 1 1.217 1 8 0 -11.8617124151206 101181 CC(C(=O)O)OC1=CC=C(C=C1)C2=CC=CC=C2 1 3.297 0 3 -2.18390294386855 101172 CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(CO)O 1 -1.151 4 4 0 -10.6896587492336 100984 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=N4 1 2.689 3 2 4.16685726399881 100827 C1COCCN1C(=O)NC2=CC=C(C=C2)F 1 1.045 2 2 0 -6.25900339092288 100798 C1CC2C(=O)N(C(=S)N2C1)C3=CC=CC=C3 1 2.848 2 1 -2.03698298797989 100789 CC1=CC(=O)OC2=CC3=C(CCCN3)C=C12 1 2.685 1 2 -9.7204409135007 100787 C1=CC(=NN=C1NN)Cl 1 0.263 4 0 0 -6.63813707384984e-002 100782 C1=CC=C(C=C1)NC(=O)C2=C(NC(=O)NC2=O)O 1 0.172 3 4 0 -10.1248206719996 100750 CC1(CC2(CC(NC(=O)N2)(C)C)NC(=O)N1)C 1 4.9e-002 4 2 0 -5.62448453258052 100746 C1=CC=C(C=C1)C(=O)NC2C3=CC=CC=C3C4=CC=CC=C24 1 3.922 1 1 -4.80625015846372 100678 CCOC(=O)NC1=NC(=C2C(=C1)OCC(=N2)C3=CC=CC=C3)N 1 2.369 4 3 0 -2.28199651029058 100641 C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F 1 2.055 1 2 2.48762125854038 100640 C1=CC=C(C=C1)OC2=C3C=CC=CC3=NC4=CC=CC=C42 1 4.913 1 1 6.47461023987271 100633 COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC=CC=C4 1 3.127 0 4 1.87116115706279 100617 CC(=O)OC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2 1 1.971 0 5 0 -4.09074537540401 100530 CC1=CC(=C(C(=C1)N)O)C 1 1.813 1 1 0 2.92846619616892 100520 C1=CN=CN=C1SC2=NC=C(S2)[N+](=O)[O-] 1 1.724 4 2 0 0.695481393479674 100517 C1=CC=NC(=C1)SC2=NC=CC=N2 1 2.079 3 0 -1.59331315193489 100514 CN1C=NC(=C1SC2=NC=NN2)[N+](=O)[O-] 1 0.901 6 2 0 -6.58337062653399 100512 CC1=CN=C(N=C1)SC2=C(C=CC=N2)[N+](=O)[O-] 1 2.459 4 2 -4.34080765294363 100449 C1=CC=C(C=C1)C=NN=C(N)N 1 0.863 4 0 0 4.59299127124717 100492 COC1=C(C=C2C(=C1)C(=C3C(=C2O)COC3=O)C4=CC5=C(C=C4)OCO5)OC 1 3.359 0 7 0 -1.66760637369002 100489 C1=CC=NC(=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 2.442 4 2 3.92517399989834 100472 C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=CC=N3 1 3.556 2 1 -1.37307351275225 100380 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CN=CC=C3 1 0.468 5 2 0 -8.2220829959393 100335 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C 1 4.366 3 2 -0.492888620494485 100319 C1=CC(=C(N=C1)SC2=NC=CC(=O)N2)[N+](=O)[O-] 1 1.313 4 3 0 -10.0565815059058 100304 C1=CC=C(C=C1)NC(=O)NC2=NN=CS2 1 0.996 4 1 0 -6.50610739327205 100288 CC(=O)N1CN2CN(C1)CN(C2)C(=O)C 1 -1.196 4 2 0 -5.62966569049628 100278 CC(=C)N1C2=CC=CC=C2NC1=O 1 1.496 2 1 0 -5.39194058378963 100195 CCC1C(N2CCN=C2S1)(C3=CC=C(C=C3)Cl)O 1 3.466 2 1 -2.63899115524848 100135 CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O 1 1.995 2 4 0 -16.9568992751634 100122 C1=CC=C(C=C1)CC(C(=O)O)NC=O 1 0.816 1 3 0 -7.26002540475503 100106 C1CC(N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O 1 3.245 1 4 -6.6298844044786 100105 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 1 4.483 1 4 -10.7877066887222 100095 CC(C)(C)OC(=O)NC(CCCCNC=O)C(=O)O 1 0.777 2 5 0 -21.2983431422369 100081 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2 1 3.122 1 4 -10.4309002215973 100058 COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O 1 -2.975 0 11 0 -13.4708095528671 100053 C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)N 1 -2.171 6 3 0 -11.0917201078636 100050 CC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 1 3.509 2 5 0 -19.7053306642449 100028 CCC(C)C1=CC(=C(C=C1)O)N 1 2.491 1 1 2.63522644015989 100005 C1=CC=C(C=C1)CC(CO)NC(=O)C2=CC=CC=C2 1 2.432 1 2 -6.31233357817854 100001 C1=CC=C(C=C1)C(=O)NC(CC2=CN=CN2)C(=O)O 1 0.451 3 3 0 -11.2449784213557 99985 C1C(NC(S1)C2=CC=NC=C2)C(=O)O 1 -2.239 2 2 0 -11.8773656533027 99955 CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=N2)C(=O)OCC)C)C 1 1.636 2 4 0 -17.9522475687452 99938 COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)O 1 2.653 0 7 0 1.94918463920255 99881 C1CC(=O)NC1CC2=CC=CC=C2 1 1.562 1 1 0 -4.91770669183752 99859 C1CCCCCC(=O)OCCCC(=NO)CCCC1 1 3.939 1 3 -3.06921399351396 99798 CCOP(=O)(C(C1=CC=C(C=C1)OC)O)OCC 1 1.42 0 5 0 -3.91758456482004 99760 C1CCC(CC1)NC(=O)NC2=CC=CC=N2 1 2.193 3 1 -6.41206094159398 99720 C1CC2=CC=CC=C2C3(C1)C(=O)NC(=O)N3 1 1.508 2 2 0 -3.30966708707092 99677 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)N 1 3.235 1 1 2.92679639605395 99625 C1=CC=C(C=C1)C[C@@H](C(=O)CCl)NC(=O)OCC2=CC=CC=C2 1 3.755 1 3 -6.82010013952515 99613 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)O 1 3.138 0 7 0 -0.694266520394419 99602 CCN1CN(C(=S)SC1)CC2=CC=CC=C2 1 4.058 2 0 -3.90917969596476 99600 CC(C)C1=CC=C(C=C1)N2CC3=C(C=CC(=C3)C(C)C)N=C2 1 5.056 2 0 1.00034561761934 99599 C1C(=O)N(C(=S)S1)C2=CC(=CC=C2)Cl 1 3.391 1 1 1.60474027037638 99562 CN1C=NC2=C1C(=O)N(C(=O)N2C)CC#C 1 1.092 4 2 0 -11.1392333849639 99466 C1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)Cl)Cl 1 4.055 1 1 -0.973410098889807 99383 COC1=C2C=CC=CC2=NC3=CC=CC=C31 1 3.336 1 1 3.51060206169327 99342 CC1=CC(NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)NC(C=C4C)(C)C)(C)C 1 5.922 2 0 -5.28523131018262 99331 CC1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)F 1 1.867 3 2 0 -10.7835494739189 99313 CCCCC1=C(NC(=NC1=O)N)C 1 1.371 3 1 0 -10.2280173559689 99307 C1=CC=C(C=C1)COC2=CC(=CC(=C2)C(=O)O)OCC3=CC=CC=C3 1 4.594 0 4 -3.57968671811783 99200 CCOC(=O)C1=C(NC=N1)C 1 0.495 2 2 0 -5.46475060855986 99178 CCCCNC(=O)NC1=NC2=CC=CC=C2S1 1 2.9 3 1 -6.49589625373449 99108 CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C 1 3.451 2 3 -4.19526477677578 99091 COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC 1 2.602 0 8 0 -4.91726096485543 99051 C1=CC=C(C=C1)C(=O)CC2(C3=CC=CC=C3NC2=O)O 1 1.634 1 3 0 -10.2253469971705 99024 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)O 1 0.738 1 3 0 -11.8137200850493 98965 CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)OC 1 2.348 2 2 0.557007609448055 98960 C1CC(=O)N(C1C(=O)O)C(=O)OCC2=CC=CC=C2 1 1.462 1 5 0 -12.6482868953691 98928 CC(=O)N1CSCC1C(=O)O 1 -0.389 1 3 0 -5.7719583015316 98909 COC(=O)C1CC(=O)N(C1)CC2=CC=CC=C2 1 0.963 1 3 0 -10.9699773556056 98889 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)O 1 0.68 2 2 0 -7.40254010382267 98882 CCCCCC1CCC(CC1)C(=O)O 1 3.998 0 2 -8.81947625163519 98851 C1=C(C=NC(=C1Br)N)Br 1 1.968 2 0 0 0.960486376262908 98825 CN(C)C=C1C(=O)C2=CC=CC=C2C1=O 1 1.259 1 2 0 -1.26513531010533 98791 CC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)OC 1 1.509 1 3 0 -5.35444201283249 98782 CC1=NC(=NC=C1)SCC(=O)O 1 0.878 2 2 0 -11.9346557194119 98771 CNC(=O)NC1=CC=CC(=C1)C(F)(F)F 1 1.888 2 1 0 0.46219334742166 98760 C1=CC(=CC2=C1C=CC3=C2N=CN3)O 1 2.011 2 1 5.80895338463264 98711 CCOC1=CC=C(C=C1)N2C(=O)CSC2=S 1 3.059 1 2 -3.5207496139917 98688 CC(=O)NC1=CC2=C(C=C1)OCO2 1 0.718 1 3 0 -6.71913756110654 98685 CCN(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2 1 3.077 2 1 -4.93473409475486 98630 COC1=CC=C(C=C1)C2(CCCC2)C(=O)O 1 2.898 0 3 -3.46540583756113 98614 C1CCC2=C(C1)C3=C(S2)N=CNC3=O 1 1.92 2 1 0 -12.5720744374607 98608 CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C 1 3.636 0 5 -8.73436422044968 98589 C1C2=CC3=CC=CC=C3N=C2C4=CC=CC(=O)N41 1 1.998 2 1 0 -0.714953570291511 98570 CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3 1 3.152 1 5 -2.92324740388262 98551 CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=NC=C3)N 1 2.696 4 0 2.39539585755289 98541 CSC1=NC(=CN=N1)C2=CC=CC=C2 1 2.593 3 0 5.24233961303741 98487 COC1=CC=CC(=C1)C(=O)N 1 0.815 1 2 0 -4.33185114839507 98466 CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=CC=C2 1 1.776 0 6 0 -12.1778911054224 98456 CCC(=O)C1=CC=C(C=C1)OCC(CN2CCOCC2)O 1 1.536 1 4 0 -10.6527734856208 98363 CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O 1 1.162 2 4 0 -8.11167652585532 98348 CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC 1 3.636 1 3 -6.38989996608501 98319 CC1(C(CCC1(C)C(=O)O)C(=O)NC2=CC=CC=C2)C 1 2.68 1 3 -2.51908871046982 98305 C1=CC=C(C=C1)C(C2=CC=NC=C2)O 1 1.687 1 1 0 -2.44587809998288 98283 C1CCC(C1)C(C2=CC=CC=C2)(C(=O)O)O 1 2.537 0 3 -2.03918258884854 98282 CC1CN(NC1=O)C2=CC=CC=C2 1 1.575 2 1 0 -3.90908253732876 98146 C1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3 1 3.179 0 1 -3.56772148251234 98134 C1CNC2CCNC3N2C1NCC3 1 -5.e-002 4 0 0 -2.72775259770927 98119 C1=CC=C(C=C1)CC(C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.949 3 6 0 -9.6226370782327 98101 C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)NC(=O)OCC2=CC=CC=C2 1 2.181 2 5 0 -15.8243370669466 98071 C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O 1 3.075 0 2 -0.460019413567173 97908 C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CC(C(=O)O)N 1 0.255 2 3 0 -4.63419506462217 97891 C1C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.702 1 1 -1.30701255662324 97811 CCOP(=O)(C(C1=CC(=CC=C1)[N+](=O)[O-])O)OCC 1 1.331 1 6 0 -7.25464305810972 97806 CSCCC(C(=O)O)NC(=O)OCC1=CC=CC=C1 1 1.893 1 4 0 -16.6829554677442 97790 CC(CCC1=CC=C(C=C1)O)O 1 2.138 0 2 3.74856437753871 97773 CCOC(=O)C1CCCNC1=O 1 0.265 1 3 0 -17.3475583711823 97743 CC(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1 1 2.409 1 4 -12.8868962550018 97700 C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)O)O 1 2.994 0 3 -2.39365110301662 97690 CC1=NN(C(=O)C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.503 2 2 3.84528687658636 97668 CC(=O)C1=C2C=CC=C3C2=C(CC3)C=C1 1 3.079 0 1 0.530867234671248 97662 COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC(=C(C=C42)OC)OC)OC 1 3.043 1 5 -3.56096639526784 97654 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=CC=C2 1 3.098 0 3 -6.99871089138705 97605 C1CSC(=N1)NC2=CC=CC3=CC=CC=C32 1 3.139 2 0 -4.71017794333971 97550 CN1C=C2C=C(C=CC2=N1)[N+](=O)[O-] 1 1.711 3 2 0 1.61443340787443 97545 CN1CCN(CC1)C2=NC(=O)C=C(N2)N 1 -0.808 5 1 0 -4.93248278414446 97387 CNC1=C(C=C(C=C1)Cl)C(=O)N 1 1.305 2 1 0 -2.92677857799133 97338 C1=CC=C(C=C1)C2=NN3C=NN=C3C4=CC=CC=C42 1 3.013 4 0 -1.21189570324798 97332 COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)OC)OC)OC 1 2.758 0 7 0 -6.08478245152522 97264 CC1=C2C=CC3=CC=CC=C3C2=NC=C1 1 3.41 1 0 2.21718422435228 97252 CC1=CC(=O)N(C2=CC=CC=C12)C 1 1.904 1 1 0 0.470310863511817 97222 C1=CC2=NC(=C(C(=O)N2C=C1)C=O)Cl 1 0.389 2 2 0 -7.69371381353914 97218 CC1=CC(=O)N=C(N1)N2CCOCC2 1 -0.344 3 2 0 -12.7208296074351 97205 C1=CC=C(C(=C1)N=NC2=C(N=C(C=C2)N)N)Cl 1 3.298 5 0 6.57225951327334 97201 CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)OC)C(=O)OCC)C)C 1 2.553 1 5 -18.3404907960637 97158 C1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-] 1 1.572 3 2 0 -1.02800574783078 97124 C1=CC(=CC=C1C2C(=O)NC(=O)N2)Cl 1 1.223 2 2 0 -12.7134535840043 97116 COC1=C(C(=C(C(=C1)C(=O)O)[N+](=O)[O-])OC)OC 1 1.305 1 7 0 -4.45479897036244 97098 CN1C2=C(C(=O)N(C1=S)C)NC(=N2)SCC3=CC=CC=N3 1 2.944 5 1 -6.28627266545573 97036 CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O 1 3.395 0 8 0 -5.79298422330064 97035 C1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3 1 2.574 1 1 -3.83699755725339 97024 CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)Cl 1 4.053 2 0 3.24871560864633 97023 C1=CC=C2C(=C1)N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4 1 3.743 4 0 2.58758058710834 97016 C1CCN(C1)CCCCC#N 1 1.537 2 0 0 -1.22524980631774 96998 CC1=C2C3=CC=CC=C3NC2=C(C=C1)C 1 4.295 1 0 3.42047640569174 96943 CC1=C2C(=C3C(=C1)C4=CC=CC=C4N3)C=CC(O2)(C)C 1 4.596 1 1 2.80500126104069 96932 COC1=C(C=C(C=C1)C(=O)C2=NC=CC3=CC(=C(C=C32)OC)OC)OC 1 3.354 1 5 -9.18434862295742 96872 C1COCCN1C2=NC=C(C=C2)[N+](=O)[O-] 1 0.342 3 3 0 -2.61709187054355 96863 C1C2(COC(N2C(O1)C3=CC=CC=C3)C4=CC=CC=C4)CO 1 2.607 1 3 0.221185144426345 96854 C1=CC=C(C=C1)C2=NN=C(O2)C3=C(C=C(C=C3)Cl)Cl 1 4.383 2 1 6.33538271982758 96827 COC1=CC(=C(C=C1N)OC)S(=O)(=O)N 1 -0.245 2 4 0 -4.89363761354647 96737 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)Br 1 3.802 2 1 5.79291581830974 96720 C1=CC(=CC=C1CN2C=NC3=C2NC=NC3=O)[N+](=O)[O-] 1 0.874 5 3 0 -8.6245880951846 96695 C1=CC=C2C(=C1)N=CC(=N2)C(=O)O 1 1.352 2 2 0 -3.73626314978294 96671 C1=CC=C(C=C1)C=NNC2=CC=C(C=C2)[N+](=O)[O-] 1 3.343 3 2 -0.727010893824222 96647 C1=CC=C(C(=C1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 1 -0.448 1 8 0 -15.6796297072697 96625 C1CN2CCN(C1)C2C3=CC=NC=C3 1 0.791 3 0 0 1.63740337617409 96606 CCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C 1 1.65 4 2 0 -8.20680818425255 96506 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3O)O)O)O)O 1 1.926 0 7 0 4.78631427602669 96474 CNC1(CCNCC1)C(=O)N 1 -1.718 3 1 0 -7.19430402586927 96438 C1CCC(CC1)NCC2=CNC3=CC=CC=C32 1 3.519 2 0 2.58092042516221 96308 C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)N 1 3.873 1 0 3.54481224151739 96306 C1=CN=CC=C1C=NN=CC2=CC=NC=C2 1 1.194 4 0 0 0.653565970122196 96305 C1=CC=NC(=C1)C=NN=CC2=CC=CC=N2 1 2.05 4 0 1.47156913480701 96297 C1=CC(=C(C(=C1)Cl)Cl)C=NN=C(N)N 1 2.192 4 0 8.62024455974587 96272 C1CCC(CC1)NP(=S)(N2CC2)N3CC3 1 1.072 3 0 0 -1.63344951056637 96229 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.502 4 2 -9.47737456533282 96213 CCCCOC1=NC=C(C=C1)N=NC2=C(N=C(C=C2)N)N 1 3.334 6 1 0 4.09465999872803 96146 C1=CC=C(C=C1)C=NNC(=O)C(=O)NN=CC2=CC=CC=C2 1 2.018 4 2 -4.7399904422618 96141 CN1C(=O)C=C(NC1=O)Cl 1 0.21 2 2 0 -2.67571388175799 96129 CC1=C(N=C(S1)N)C2=CC=CC=C2 1 2.173 2 0 5.67136845603557 96118 COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC 1 3.07 0 6 -0.716596987148219 96069 COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2 1 3.138 0 3 -0.185702160613045 95997 CC(=O)C1=CC(=CC(=C1)OC)OC 1 1.537 0 3 0 -4.64822642947816 95996 C1CCC2=C(C1)C(=O)C3=CC=CC=C3N2 1 2.781 1 1 -11.3804179163853 95946 CCCCNC1=CC=C(C=C1)C(=O)O 1 2.597 1 2 -5.58993022060961 95935 CCOC(=O)C1=CC(=O)C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3 1 3.389 0 5 -8.0027811235581 95934 C1=CC=C(C(=C1)C(=O)NCCNC(=O)C2=CC=CC=C2O)O 1 1.41 2 4 0 -3.67749755607086 95843 C1CCC2=C(C1)N(C3=CC=CC=C3[N+]2=O)[O-] 1 1.965 2 2 0 -5.06590487366184 95837 CC(=O)N1C2=CC=CC=C2C3=CC=CC=C31 1 3.313 1 1 0.692793843540349 95833 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)Cl 1 3.279 1 1 -2.1888119277378 95808 C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3O2 1 3.829 0 2 1.83994946021744 95801 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2 1 2.81 1 2 -2.58270341455178 95775 CC1=CC(=O)OC(=C1C(=O)O)C 1 0.873 0 4 0 -7.21541921416432 95757 C1=CC=C(C=C1)C2=C(C(=O)NN=C2C3=CC=CC=C3)C#N 1 2.765 3 1 -7.8145138134248 95753 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2 1 3.822 1 1 9.03358435497773 95707 CC(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O 1 1.928 1 3 0 -4.43324514099052 95699 CN(C)CC1=CC(=C(C=C1O)CN(C)C)O 1 1.493 2 2 0 4.91234508336768 95692 CC1=C(C=NC=C1)C(=O)N 1 0.167 2 1 0 -3.34645162150689 95651 COC1=CC=CC=C1C(C(=O)C2=CC=CC=C2OC)O 1 2.584 0 4 -6.69636609294599 95627 CC(CC1=CC=CC=C1)NC(=O)N 1 1.445 2 1 0 -4.81577510000771 95552 CC1=C(C=C(C=C1)NCC(C(C(CO)O)O)O)C 1 0.539 1 4 0 -2.95213800692563 95447 C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O 1 2.326 0 2 -1.8646875662153 95446 CN(C)C1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)O 1 2.778 1 2 -6.77768121981574 95442 CCOC(=O)C(=CC1=CNC2=CC=CC=C21)C#N 1 2.634 2 2 -5.59446298636972 95365 C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)O2 1 3.051 0 2 -2.08787207571404 95311 C1=CC=C(C=C1)C2C(=NC(=O)N2)C3=CC=CC=C3 1 3.015 2 1 -7.75952380551867 95284 C1=CSC(=C1)C=NNC(=O)N 1 0.762 3 1 0 -6.56129825143063 95277 CC1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=C(C=C2)C 1 2.888 2 2 -3.18910285914406 95253 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)N 1 2.359 2 1 -8.51856437552315 95240 COC1=CC=C(C=C1)C(=O)NCCCN2CCOCC2 1 0.91 2 3 0 -9.80317933813716 95237 CC1=CC=C(C=C1)S(=O)(=O)NCCNS(=O)(=O)C2=CC=C(C=C2)C 1 2.273 2 4 -4.96598248533456 95230 CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 3.755 0 1 -0.720903902847645 95223 C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2N=O)O 1 3.651 1 2 2.90553009606513 95202 CCOC(=O)CN1C(=O)C2=CC=CC=C2C1=O 1 0.918 1 4 0 -7.21063997654342 95170 C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br 1 6.383 0 1 3.8934247476655 95168 CC(=CCC1=C(C2=C(C3=C1OC(C=C3)(C)C)OC=C(C2=O)C4=CC=C(C=C4)O)O)C 1 5.026 0 5 0.453093831020812 95116 C(CSSCCC(=O)O)C(=O)O 1 0.845 0 4 0 -6.44778306016128 95108 C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)F 1 2.632 4 0 -4.41462445256366 95082 CC1=C(C=CC(=C1)OC)NC(=O)C 1 1.42 1 2 0 -7.40114587840146 95067 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N 1 0.898 2 2 0 -7.99829367226437 95050 C1COCCN1S(=O)(=O)C2=CC=CC=C2 1 0.634 1 3 0 -15.8764869410247 95028 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3 1 1.483 4 2 0 -15.3872580172736 94986 CCN(CC)CC1=CC(=C(C=C1O)CN(CC)CC)O 1 2.888 2 2 4.13265803456421 95022 C1=CC=C(C=C1)C(=O)C2C(=O)C3=CC=CC=C3C2=O 1 2.705 0 3 2.17832397826831 95019 CC(=O)NC1=CC=C(C=C1)[As](=O)(O)O 1 0.594 1 4 0 -4.31214639200321 95006 C1COCCN1C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 -0.185 2 4 0 -10.5902016199221 95002 C1COCCN1C(=S)CC2=CN=CC=C2 1 1.239 2 1 0 -5.78149200704603 94999 CC1=CC(=C(C(=O)N1)C#N)COC 1 -0.207 2 2 0 -10.1750318096051 94975 CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)C4=CC=CC=C4 1 5.01 3 1 -3.31294277588854 94966 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 4.763 0 1 -5.35501695477206 94880 C1=CC=C2C(=C1)C=CC3=C2N=C(S3)N 1 2.617 2 0 4.3482448875203 94873 C1=CC=C(C=C1)C(=O)NOC(=O)C2=CC=CC=C2 1 2.332 1 3 -4.36737814580543 94870 CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C)OC 1 4.561 0 7 0 -1.71519142009399 94777 CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2O 1 2.705 1 3 -1.41803816867773 94768 COC1=CC=C(C=C1)C=NN=CC2=CC=C(C=C2)OC 1 3.462 2 2 0.426849843116199 94719 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C#N 1 3.232 2 0 0.611332176367302 94713 CC(C)(C1=CC=CC=C1)C(=O)N 1 1.746 1 1 0 -0.134912740462341 94575 CN(C)N=NC1=CC=C(C=C1)S(=O)(=O)N 1 0.919 4 2 0 -1.61850050941683 94574 C1CCN(C1)C(=O)OC2=CC=CC=C2 1 2.26 1 2 -3.70751030169154 94473 C1=CC=C(C(=C1)C(=O)NC2=NC=NN2)O 1 0.674 4 2 0 -3.4871967570212 94426 C1CN(CCN1)CC2=CC3=C(C=C2)OCO3 1 1.093 2 2 0 -2.92924282687718 94419 COC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C(=O)OC)N 1 2.022 2 4 -3.19640032450519 94381 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3 1 4.16 3 2 0.989061941188377 94273 CC1CC(=O)C=C(C12C(=O)C3=C(C=C(C=C3O2)OC)OC)OC 1 1.83 0 6 0 -8.00835839504271 94160 C[C@H]1[C@H]2CN3CC[C@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O 1 1.162 2 4 0 -8.11167652585532 94135 C[N+](C)(C)C1=CC=CC=C1.[I-] I- 1 0.541 1 0 0 -2.92736983235299 94097 CC(=O)OC1=C(C=C(C=C1)C(=O)O)OC(=O)C 1 0.995 0 6 0 -5.05660382611429 94022 C1CC2=C3C(=C4C(=C2)C=CC(=O)O4)CCCN3C1 1 3.123 1 2 -6.89530573559344 93911 C1CNCCC1(C2=CC=C(C=C2)Br)O 1 1.405 1 1 0 -0.415769932774348 93864 CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C 1 2.458 1 4 -8.24893697586503 93858 CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F Cc1ccc(cc1)S(=O)(=O)O 1 -0.579 4 3 0 -4.98581052808807 93857 CC[C@H]1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@]3(O2)CC[C@H]([C@H](O3)C[C@H](C)O)C)C)OC(=O)C=C[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@H]([C@@H]([C@H](CC=CC=C1)C)O)C)C)O)C)C)O)C)C 1 7.03 0 10 0 -7.17127288834315 93671 C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)Cl 1 1.37 1 5 0 -16.0387734686879 93577 CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O 1 0.174 0 8 0 -17.1984103281468 93565 CC(=O)OCC[N+](C)(C)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 -1.195 1 2 0 -6.58523142127448 93271 C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)O 1 3.9 0 2 2.15148492837882 93205 C[C@H](CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O 1 0.484 5 4 0 -10.3145118520295 93178 CC1=CC(=C(O1)C)C(=O)NC2CCCCC2 1 2.291 1 2 -8.57472922513002 93149 CC1=C2C=CC3=C(C2=NC=C1)N=CC=C3 1 2.688 2 0 0.160593288197914 93144 CC(C)CC1=CC=CC=C1O 1 3.238 0 1 5.00980626458049 93086 C1=CC=C(C(=C1)C(=O)N)OCC(=O)O 1 0.297 1 4 0 -7.78226490129787 93004 C1CC2C3C(C1O2)C(=O)OC3=O 1 -0.117 0 4 0 -0.191552586477428 92968 C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-].Cl Cl- 1 0.955 4 6 0 -1.76886265608733 92904 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O 1 1.457 1 3 0 -3.37076249872064 92824 C([C@H](C(=O)O)O)C(=O)O 1 -1.012 0 5 0 -7.40447999953052 92743 C1=CC(=CC=C1C(C(CO)N)O)[N+](=O)[O-] 1 -0.192 2 4 0 -3.77529620284945 92732 CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC 1 3.62 1 4 -6.0992719682608 92387 CC(C)(C(=O)C1=CC=C(C=C1)SC)N2CCOCC2 1 2.601 1 2 -2.63950705074054 92303 CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl Cl- 1 6.207 2 0 2.89277153743686 92249 CC1=CC(=O)OC2=C1C=CC(=C2)N 1 1.599 1 2 0 -0.97756082534513 92201 CC(C)([C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O 1 2.029 0 4 -3.74783614527385 92199 C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O 1 -2.849 5 9 0 -12.6440204006868 92173 CC(C)([C@H](C(=O)O)N)S.Cl Cl- 1 -2.496 1 2 0 -4.4655883825743 92163 CCCNC(C)C(=O)NC1=CC=CC=C1C.Cl Cl- 1 2.263 2 1 -8.90160369594603 92135 C[C@H](CC(=O)O)O 1 -0.251 0 3 0 -5.03078664603867 92130 C1=CC=C(C=C1)C=NN=CC2=CC=CC=C2 1 3.495 2 0 0.667872235175984 91851 CCOC(=O)C1=NC2=NC(=CC(=O)N2N1)C 1 0.158 4 3 0 -7.49530663948949 91759 CC1=NC2=NC(=NN2C=C1)S(=O)(=O)NC3=C(C=CC=C3F)F 1 1.943 5 2 0 -4.40667162062084 91754 CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl 1 4.431 2 1 -1.39482614284486 91735 C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F 1 4.916 2 2 3.94975985416658e-002 91734 C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)F)Cl)F 1 4.545 2 2 -0.743851867104215 91668 CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@H]4C1=CC(=O)CC4 1 3.299 0 4 -11.3011805010767 91657 CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O.Cl Cl- 1 8.8e-002 6 2 0 -7.05814224115172 91649 CC(C)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O 1 1.91 2 4 0 -5.58914351966863 91637 CC1=CC=CC=C1C(=O)NCC(=O)O 1 1.005 1 3 0 -13.1264461483843 91486 CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O 1 5.134 1 2 -4.12099665436748 91451 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O 1 2.889 0 3 -15.0676442490252 91438 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O 1 1.596 0 6 0 -6.8373330416451 91401 CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C 1 3.614 1 1 -0.431784639915908 91378 CN(C)CC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2.Cl Cl- 1 3.318 1 1 -3.73342147326751 91332 C1CCC(C1)(C(C2=CC=CC=C2)C(=O)O)O 1 2.124 0 3 -3.82030969989791 91286 C1=CC=C(C=C1)C(=O)NC(CSSCC(C(=O)O)NC(=O)C2=CC=CC=C2)C(=O)O 1 2.333 2 6 0 -14.9559064098998 91274 CC1=C(SC=C1)C(=CCCN2CCC[C@H](C2)C(=O)O)C3=C(C=CS3)C.Cl Cl- 1 2.252 1 2 -2.307777038015 90866 CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)O)C)C 1 4.449 1 2 -8.40573044159661 90531 CCCCCOC(=O)C1=CC=CC=C1C(=O)O 1 3.1 0 4 -8.51056329526781 90474 CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCS(=O)(=O)[O-])C 1 1.148 2 3 0 -4.01637719888909 90454 C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O 1 2.75 2 1 1.21019007143903 90448 C1=CC=C2C(=C1)C=CN2CC(=O)O 1 1.81 1 2 0 -8.13280923764811 90407 C1=CC=C(C(=C1)C(=O)NCCO)O 1 0.256 1 3 0 -3.97136813705442 90261 C1=CC2=C(C(=C1)C(F)(F)F)NC=CC2=O 1 2.155 1 1 -1.66585221974846 90260 C1=CC2=C(C(=C1)C(F)(F)F)NC=C(C2=O)C(=O)O 1 1.745 1 3 0 -3.30392957173286 112939 C1=CC2=C(C=C1[O-])OC3=CC(=O)C=CC3=[N+]2[O-].[Na+] Na+ 1 8.5e-002 1 4 0 -2.96135888550153 112786 CC1=NC2=C(O1)C=CC(=C2)C3=CC=CC=C3 1 3.134 1 1 5.89900045813245 112722 C1=C(C=C2C(=C1Cl)N=C(S2)N)Cl 1 3.037 2 0 7.66670508966432 112609 CC1=[N+](C2=CC=CC=C2S1)CCC(C)S(=O)(=O)[O-] 1 0.211 1 3 0 -2.01348924332502 90009 CC1=C(C2=C(C=C1)N=CC=C2)[N+](=O)[O-] 1 2.396 2 2 2.82608672558145 89973 CC1=CC=CC2=NC3=CC=CC=C3C=C12 1 3.839 1 0 5.64699289635057 89966 C1=CC=C2C(=C1)C(=NS2)N 1 1.834 2 0 0 1.41236015221893 89881 C1=CC=NC(=C1)NCC2=CC=C(C=C2)Cl 1 3.275 2 0 1.82726200563848 89594 CN1CCC[C@H]1C2=CN=CC=C2 1 1.242 2 0 0 4.99752323511758 89576 C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN 1 3.117 2 1 -1.50104468717362 89417 CC1=C(C(=C(C=C1)NCC(C(C(CO)O)O)O)N=NC2=CC=CC=C2)C 1 2.909 3 4 0 3.38287994010986 89372 CC1=CC=CC=C1N2C(=O)C3C4CCC(C3C2=O)O4 1 1.504 1 3 0 -1.24140527183485 89179 CC1=C(C(=NN1C2=CC=CC=C2)C)C=O 1 2.244 2 1 0.445620779612814 89082 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC 1 1.766 2 6 0 -21.7232674840637 89047 C1CNC(=O)C2=CC3=C(C=C21)OCO3 1 0.88 1 3 0 -4.1094377677176 88976 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 -0.245 2 4 0 -20.0596670361727 88916 CC1=C(SC(=N1)C)C(=O)NC2=CC=CC=C2 1 1.905 2 1 0 -6.51844730256539 88881 COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)OC 1 3.103 0 4 -1.68443550920293 88779 C1=CC=C(C=C1)SCCC2=CC=NC=C2 1 3.125 1 0 2.54440914116756 88755 C1=CC=C2C(=C1)C=CN2CCC(=O)N 1 1.431 2 1 0 -8.77792542043305 88738 CC1=C(C(C(=C(N1)C)C(=O)C)C2=CC=CC=C2)C(=O)C 1 1.621 1 2 0 -14.8562666756619 88733 C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)N 1 2.534 2 1 11.6715689405115 88731 COC1=CC=CNC1=O 1 -0.636 1 2 0 -4.07649951104602 88707 C1=C(C=NC=C1Br)C(=O)O 1 1.057 1 2 0 -2.27927900767545 88678 C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 4.133 1 1 -1.97042201796902 88675 CN(C)C1=CC=CC2=C1C(=CC=C2)N(C)C 1 3.062 2 0 -1.51025911440154 88598 CCN(CC)C1=CC2=C(C=C1)C=CC(=O)O2 1 2.759 1 2 -5.43608738642171 88515 C1=CC=C(C=C1)C2=NN=C(C=C2)Cl 1 3.032 2 0 1.05019096372081 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1.61 2 1 0 -2.08162055161625 79304 C1=CC=C(C=C1)C(=NN)C2=CC=CC=C2 1 2.796 2 0 -1.18155669115766 79256 C1=CC=C(C=C1)N2C(=C(C=N2)C#N)N 1 1.313 4 0 0 -2.51277514813241 79252 C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4=CC=CC=C4C3=O 1 3.347 1 2 -1.95642941767377 79222 C1=CC(=NC=C1C(=O)O)Cl 1 1.182 1 2 0 -3.18141148518081 79188 CC[N+]1=C(SC2=C1C=CC(=C2)C)C.[I-] I- 1 3.446 1 0 5.66451864001653 79176 C1CC(=O)N(C1)CC2=CC=CC=C2 1 1.418 1 1 0 -9.75802577389355 78793 C1C2(COC(O1)C3=CC=CO3)COC(OC2)C4=CC=CO4 1 1.474 0 6 0 -4.22140704880128 78765 COC1=C(C(=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC)OC 1 1.53 1 7 0 -5.96491282043156 78735 COC1=C(C(=C(C(=C1)C(=O)OC)N)OC)OC 1 0.889 1 5 0 -6.13009343615159 78723 C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CC=CC=C3C(=O)O 1 3.772 0 3 -1.61036511988531 78644 C1=CC=C(C=C1)NC(=O)OC2=CC=CC=C2 1 3.17 1 2 -1.55914768883011 78537 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N 1 2.055 1 4 -3.77529289260397 78545 CC1=[N+](C2=CC=CC=C2C(=C1)[N+](=O)[O-])[O-] 1 1.349 2 3 0 -0.630618702325985 78503 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.509 2 3 -6.99370091888834 78458 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O 1 2.244 1 3 -6.23607484712296 78443 CCOC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.613 1 3 0.318734115375906 78442 CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2 1 3.855 1 2 -5.74467036100752 78435 CC1=CC(=C(C(=C1C(=O)OC)O)C)O 1 2.173 0 4 -2.26165463434965 78431 CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 1 2.35 1 2 -13.0222945803388 78416 CC1=CC=C(C=C1)NCCNC2=CC=C(C=C2)C 1 4.068 2 0 -1.53588054944238 78402 C1CCN(CC1)CC(=O)NC2=CC=CC=C2 1 1.873 2 1 0 -4.75248278868237 78379 C1C(=O)N(C(=S)S1)CCCCCC(=O)O 1 2.113 1 3 -13.9678500177298 78268 C1=CC=C(C=C1)C2=C(N=NC(=N2)N)C3=CC=CC=C3 1 3.252 4 0 3.08410493243443 78263 CCC1=CC(=C(S1)N)C(=O)OCC 1 1.886 1 2 0 -5.17398686286782 78262 CCOC(=O)C1=C(SC2=C1CCCC2)N 1 2.457 1 2 -5.98765427042711 78251 CCOC(=O)C1=NNC2=CC=CC=C21 1 2.106 2 2 -10.6254762693366 78250 C1=CC=C2C(=C1)C(=NN2)C(=O)O 1 1.532 2 2 0 -8.36291385508091 78203 COCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 3.252 0 2 -3.98744415294015 78192 C1=CC=C(C=C1)C(CO)(C2=CC=CC=C2)C(=O)O 1 2.315 0 3 -0.392191971090778 78165 C1COCCN1CCS(=O)(=O)O 1 -0.588 1 4 0 -7.47111475236106 78144 C1CCC2=NC3=CC=CC=C3C(=O)N2CC1 1 2.203 2 1 -8.23253133567255 78112 CC1=CN(C(=O)N(C1=O)C)C 1 -0.154 2 2 0 -6.92528849155022 78103 CCCC(=O)C1=C(C=C(C=C1)O)O 1 2.209 0 3 -0.969589497525021 78054 C1=CC=NC(=C1)CC2=CC=C(C=C2)Cl 1 3.325 1 0 1.30567902144552 78027 C1=CC=C(C=C1)NCC2=CC=CC=N2 1 2.286 2 0 -1.3624154073879 77955 COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3C=C2O)OC)Cl 1 3.912 1 4 -4.54630528925425 77918 C1=CC=C(C=C1)CN2C=CN=C2 1 1.506 2 0 0 0.180306205415919 77913 C1=CC=C(C=C1)N2C(=O)N=NC2=O 1 2.799 3 2 -2.53537413978181 77901 C1COCCN1C2=NC3=CC=CC=C3S2 1 1.685 2 1 0 2.14992909298377 77875 COC(=O)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)OC 1 3.156 0 6 -4.35835189293833 77865 C1=CC2=CC(=C3C=CC=NC3=C2N=C1)Cl 1 2.867 2 0 1.9032582694357 77832 CC1(CC(=NO)CC(N1)(C)C)C 1 0.78 2 1 0 -5.27866960732262 77808 C1CN(CCN1CCC#N)CCC#N 1 0.235 4 0 0 -2.06774850927868 77793 COC1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 1 3.12 0 3 2.22037579734699 77792 COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2O 1 2.896 0 4 3.04148228664649 77787 COC(=O)C1=C(C=C(C=C1)N)O 1 0.696 1 3 0 0.206544582623293 77762 CN1C(=O)C2=C3C(=C(C=C2)Br)C=CC=C3C1=O 1 2.519 1 2 1.59329585741354 77719 CC(=O)NC1=CC(=C(C=C1)C(=O)OC)O 1 0.563 1 4 0 -5.07695242777629 77623 C1CCC2=C(C1)N=C3CCCCC3=N2 1 2.583 2 0 -0.740873035346718 77620 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.062 2 2 -11.1975230655784 77553 CC(=O)C1=CC2=CC=CC=C2OC1=O 1 1.59 0 3 0 -8.47526812125904 77409 COC1=C2C(=CC3=C1OCC3)C=CC(=O)O2 1 1.941 0 4 0 -3.33653481439184 77390 CN(C)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)OC 1 4.97 4 1 6.08820362581657 77388 C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3 1 4.638 0 2 -3.41994376261616 77309 COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2 1 2.948 0 3 -1.94688218323448 77298 CN(C)C1=C(C(=O)N(N=C1)C2=CC=CC=C2)Cl 1 1.617 3 1 0 1.17487463688678 77258 C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4 1 2.639 6 0 2.55429993251003 77215 CC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.767 1 2 1.49792347622807 77123 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)Cl 1 3.935 2 0 5.86645743020308 77095 CN1C2=CC=CC=C2C=C1C3=CC=CC=C3 1 4.139 1 0 4.14134908786763 77069 CCOC1=C(C=C(C=C1)C(=O)O)OC 1 1.775 0 4 0 -7.94345961916717 77039 CNCCC1=CC(=C(C=C1)OC)OC 1 1.656 1 2 0 -3.86401925486626 76985 CSC1=CC=C(C=C1)C=O 1 2.131 0 1 2.75239140685974e-002 76977 C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)O 1 4.522 0 2 -4.39580888168047 76930 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.509 2 3 -6.9346847452757 76918 CCOC(=O)C1=C(OC(=O)C=C1C)C 1 1.447 0 4 0 -9.32118295338653 76915 CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C 1 3.409 0 2 -6.92649093531919e-002 76876 C1CC2=CC=CC=C2C(=NO)C1 1 2.418 1 1 -0.621829690352151 76859 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)O 1 0.592 1 4 0 -9.69469483571629 76848 CC(=C)C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2 1 1.529 3 2 0 -9.51523454033979 76832 C1=CC=NC(=C1)C2=CC=CS2 1 2.579 1 0 1.14655574807286 76819 C1=CC=C(C=C1)NC2=NNC(=N2)N 1 0.819 5 0 0 1.87823703044012 76810 COC(=O)C1=C(N=CN1)C(=O)OC 1 0.147 2 4 0 -6.84352476647288 76796 C1CCC(=C2CCCC(=C3CCCCC3)C2=O)CC1 1 5.96 0 1 -3.94834601960352 76792 COC1=CC=C(C=C1)C(=O)NN 1 0.323 2 2 0 -4.02752161485273 76694 C=C(C1=CC=CC=C1)P(=O)(O)O 1 1.249 0 3 0 -3.17698297907917 76659 COC1=CC2=C(C=C1)C=CN2 1 2.107 1 1 1.17600901769004 76658 CC1=CC(=CC(=C1C(=O)OC)O)O 1 1.687 0 4 0 -1.12119956642849 76622 CC(=O)C1=CC2=C(C=C1)OCO2 1 1.337 0 3 0 -4.43136033261678 76613 COC1=CC=C(C=C1)C(=O)CCC(=O)O 1 1.398 0 4 0 -4.85898052391676 76596 CCCCCC(=O)C1=C(C=C(C=C1)O)O 1 3.121 0 3 -0.195594762628405 76567 CC1=[N+](C2=CC=CC=C2S1)CC(=O)O.[Br-] Br- 1 2.092 1 2 -0.21892201480041 76448 C1=CC=C(C=C1)OP(=O)(C2=CC=CC=C2)OC3=CC=CC=C3 1 4.598 0 3 -2.20216032686919 76443 CCOC(=O)CC(=O)C1=CC(=C(C(=C1)OC)OC)OC 1 1.905 0 6 0 -7.67377240790918 76357 CC1=C2C=CC=NC2=C3C(=C1C)C=CC=N3 1 3.175 2 0 0.79511662919667 76313 C1=CC=C2C(=C1)C=CC=C2OCC(=O)O 1 2.203 0 3 -4.88000859599761 76293 C1=CC=C(C=C1)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 4.984 0 1 -3.77398331363751 76258 C1=CC(=C(N=C1)Cl)C(=O)O 1 1.182 1 2 0 -1.29420631271707 76250 CC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] 1 2.069 2 2 -0.929473935013621 76219 C1=NC2=C(N1)C(=NC=N2)N.Cl Cl- 1 -0.446 5 0 0 -1.27733638558854 76175 C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3 1 2.301 2 1 -1.63468131455462 76167 C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3 1 3.049 2 1 0.39955217331599 76104 CCCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C 1 1.078 4 2 0 -10.5446088059445 76103 CC(C)C1=NC2=C(N1)C(=O)N(C(=O)N2C)C 1 1.084 4 2 0 -9.92800562844978 76080 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N 1 2.487 1 1 -2.04097911481623 76075 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)N 1 3.545 2 0 8.69996667633267 76059 COC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)N 1 2.176 1 3 -9.86853339974081 75969 C1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O 1 2.423 0 8 0 -6.58863179080999 75949 CC1=C(C2=CC=CC=C2N1)CCN 1 1.696 2 0 0 0.254609981906789 75879 C1CCC(=O)N(CC1)C(=O)C2=CC=C(C=C2)C(=O)N3CCCCCC3=O 1 2.561 2 4 -9.83650790191205 75870 C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N)N 1 1.121 3 1 0 -3.19099338107274 75846 C1=CN=CC=C1SSC2=CC=NC=C2 1 2.237 2 0 1.63915064517224 75801 CCOC(=O)NCC1=CC=CC=C1 1 1.949 1 2 0 -7.20397031461864 75771 C1=CC=C2C(=C1)N=NN2O 1 -0.782 3 1 0 -0.900579993769173 75766 CCCCC(=O)C1=CC=C(C=C1)O 1 2.907 0 2 -1.05412927314033 75741 C1NC(=O)NCN1CCO 1 -1.248 3 2 0 -4.34272261106688 75680 CC1=CC(=O)NC2=C1C=CC(=C2)Cl 1 2.363 1 1 -3.24042789649751 75599 COC1=C(C=CC(=C1)N)C(=O)O 1 0.696 1 3 0 -0.908640049948885 75583 C1=C(C2=C(C(=C1O)O)C(=O)C(=O)C=C2O)O 1 0.484 0 6 0 2.42912633673335 75526 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C 1 2.255 1 4 -7.86312994446526 75522 CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)N 1 3.066 4 2 -2.98534436393484 75505 C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)N)N 1 1.561 4 1 0 3.53909248194548 75480 C1=CC=C2C(=C1)C3=CC=CC=C3N2CO 1 2.972 1 1 2.30660854578506 75470 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70388 C1=CC=C(C=C1)C(=O)NCCCCCC(=O)O 1 2.001 1 3 -15.5419358252359 70385 C1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O 1 3.378 0 2 3.60008536579639 70374 C1COCCN1CNC(=O)C2=NC=CN=C2 1 -1.026 4 2 0 -11.3977686389087 70371 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=O 1 0.83 2 2 0 -7.33216227179519 70349 CC1=NN(C(=O)C1)CC2=CC=CC=C2 1 1.13 2 1 0 -3.32632632347726 70262 CCC1=NC=C(N1)C 1 0.79 2 0 0 -0.498947289778965 70253 C1=NC(=O)NN1 1 -0.87 3 1 0 -2.75614948196122 70161 COC1=CC2=CC=CC=C2C=C1C(=O)O 1 2.351 0 3 -1.94270728144432 70052 COC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3 1 3.037 2 2 3.6185245012108 70048 C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 2.937 2 0 -7.80355529184056 70006 C1=CC=C(C=C1)N2C(=CC=N2)N 1 1.434 3 0 0 -1.48038188355181 69916 C1CCC2=C(C1)C=CC(=C2)C(=O)CCC(=O)O 1 2.928 0 3 -7.6163779055748 69845 C1=CC2=NSN=C2C(=C1)N 1 1.211 3 0 0 1.90931526905245 69774 CCOC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O 1 2.972 0 4 -5.27037810936835 69765 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[N+](=O)[O-] 1 4.283 1 3 0.375269784786472 69758 COC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2 1 1.347 1 6 0 -6.60012959398671 69711 C1(=C(NC(=O)NC1=O)C(=O)O)F 1 -1.242 2 4 0 -7.96290323725728 69602 CC(=O)NCCC1=CN=CN1 1 -0.83 3 1 0 -4.15770093640279 69518 C1=CC=C(C=C1)C(=O)NCCNC(=O)C2=CC=CC=C2 1 1.894 2 2 0 -7.75473765622926 69500 CCN(CC)CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31 1 3.725 2 1 0.210633248395233 69459 C1=NC2=C(N1)C(=O)N=C(N2)N.Cl Cl- 1 -0.663 5 1 0 -5.89103534836902 69448 C1=CC=C(C=C1)C(=O)NC2=CC=CC3=CC=CC=C32 1 3.523 1 1 -5.89473791525972 69398 C(CCN)CC(=O)O.Cl Cl- 1 -2.62 1 2 0 -7.56963073064776 69314 C1=CC=C(C=C1)OCC(=O)N 1 0.667 1 2 0 -4.42689715239552 69298 C1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=CC=C2 1 1.915 2 2 0 -3.34575699751741 69292 C1=CC=NC(=C1)CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.555 2 2 -3.02216751941225 69175 COC1=CC(=C(C=C1)C=O)OC 1 1.556 0 3 0 -0.450587581248212 69172 CC1=NC2=C(C=C1)C=C(C=C2)[N+](=O)[O-] 1 2.193 2 2 1.46209746511969 69161 C1=CC=C(C(=C1)C(=O)O)NCC(=O)O 1 0.75 1 4 0 -5.43659650527732 69148 CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C 1 4.206 0 1 -1.53724223856355 69146 COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 1 3.217 0 2 -2.10192789225711 69113 C1=CNC=C(C1=O)C(=O)O 1 -1.061 1 3 0 -5.65301260561 69089 CC1=CC(=O)C2=CC=CC=C2N1 1 1.726 1 1 0 -5.70202143292773 69088 CC1=CC(=O)NC2=CC=CC=C12 1 1.698 1 1 0 -6.40655730281848 69030 CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C 1 3.905 0 2 -6.10172253209324 68995 CC1=C(C=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4)O)C)O 1 4.979 0 4 3.05210433994569 68943 C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.883 1 1 0.982125118204976 68911 C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C 1 2.029 0 5 -6.82069712696185 68844 CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC 1 -0.772 3 5 0 -6.37238880164452 68706 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CC(=O)O 1 4.332 2 2 12.1334317783535 68628 C1CSC2=NC(CN21)C3=CC=CC=C3.Cl Cl- 1 2.29 2 0 -3.30288440312008 68626 C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3.Cl Cl- 1 1.707 2 2 0 3.24538598119811e-002 68617 CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl 1 4.996 1 0 0.182067962199917 68497 CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2 1 3.1 1 1 -4.84028695791847 68437 COC1=C(C2=C(COC2=O)C=C1)OC 1 1.406 0 4 0 -4.64663526541351 68459 C1=CC2=C(C=C1C(F)(F)F)NC=C(C2=O)C(=O)O 1 1.745 1 3 0 -1.19234829915425 68487 C1=CC(=CN=C1)C2=CN=CC=C2 1 1.047 2 0 0 0.36658321700011 68483 CC(=O)N(CC(=O)O)C1=CC=CC=C1 1 0.637 1 3 0 -6.25634270671903 68482 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O 1 2.244 1 3 -8.42952242087033 68478 C1=CC=C2C(=C1)C(=O)N3C=CC=CC3=N2 1 1.337 2 1 0 -10.9024326772651 68385 CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl Cl- 1 2.694 2 5 0 -11.4485874179025 68363 CCOC1=CC(=CC(=C1OCC)OCC)C2=NC=CC3=CC(=C(C=C32)OC)OC 1 4.499 1 5 -6.71837526715157 68351 C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.276 3 4 0 -3.29740115430242 68297 C1=CC=C(C=C1)NC2=CC=CC=C2N 1 2.633 2 0 0.654993024042422 68281 C1=CC2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)N=CC=C4)N=C1 1 2.895 4 1 -1.9710686894452 68207 C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[Br-] Br- 1 3.859 3 0 6.22146708900346 68230 CC1(C=CC2=C(O1)C3=CC=CC=C3NC2=O)C 1 1.704 1 2 0 -5.65395043026267 68261 C1CC2=NC3=CC=CC=C3C(=O)N2C1 1 1.29 2 1 0 -8.37590453025155 68249 C1=CC=C2C(=C1)NC3=CC=CC(=O)C3=N2 1 1.784 2 1 0 -8.76728642561362 68183 C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)N)C4=CC=C(C=C4)N 1 2.997 2 2 -0.974057198617598 68094 CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1 1 -0.439 2 1 0 -8.49682218069763 68089 CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=CC=C3 1 4.653 1 2 -1.8874871336839 68082 COC1=C2C=CC(=O)OC2=C3C=COC3=C1 1 2.187 0 4 -4.31327507805482 68079 COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC 1 2.17 0 5 -5.37778977134501 67974 C1C2=CC=CC=C2CNC3=CC=CC=C31 1 3.366 1 0 -1.79592853581138 67967 C1=CC(=C(C=C1F)F)[N+](=O)[O-] 1 2.135 1 2 0.138005516492591 67869 C1=CC(=C(C=C1C(F)(F)F)N)C(=O)O 1 1.655 1 2 0 1.76487931952551 67686 C1N(CSC(=S)N1CC2=CC=CC=C2)CC3=CC=CC=C3 1 5.293 2 0 -3.11119998397858 67655 CC(=O)NC1=CC=CC=C1C(F)(F)F 1 1.892 1 1 0 -4.95705582746514 67582 C1=CC2=C(C=C1C(F)(F)F)NC=CC2=O 1 2.155 1 1 0.627149258957467 67560 C1=CC=C2C(=C1)NC(=N2)C(F)(F)F 1 2.694 2 0 1.49907884360982 67559 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.523 1 2 -0.508453902514985 67532 C1=C(C=C(C(=C1Br)O)Br)C[C@@H](C(=O)O)N 1 -0.351 1 3 0 -2.40065004915939 67456 C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)O2 1 3.987 0 1 0.217467167792175 67485 C1C2=CC=CC=C2C3=NC4=CC=CC=C4C=C31 1 4.107 1 0 7.20692192995111 67476 C1=CC=C2C(=C1)N=CC3=CC=CN32 1 2.14 2 0 1.37828048889576 67472 C1=CC2=C(C=CC3=C2C=CC=N3)N=C1 1 2.202 2 0 1.38876572399118 67318 COC1=C(C=C(C=C1)CCNC(=O)CC2=CC(=C(C=C2)OC)OC)OC 1 2.912 1 5 -13.5284544810841 67277 C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])O 1 3.175 2 4 -0.795328388963446 67275 CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O 1 4.431 1 2 1.87309756965888 67274 COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.264 1 3 -2.11189447356218 67262 C1=CC=C(C=C1)C(=O)C2=CC=CS2 1 3.187 0 1 -3.44352778756449 67239 COC1=CC(=C(C=C1)OC)NC(=O)C2=C(C=C3C4=CC=CC=C4OC3=C2)O 1 3.843 1 5 -5.13328680759835 67238 C1=CC=C2C(=C1)C3=CC(=C(C=C3N2)O)C(=O)NC4=CC=C(C=C4)Cl 1 4.53 2 2 8.11822380967343 67183 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 0.435 3 3 0 -9.82027622321434 67182 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC 1 0.881 4 4 0 -10.148297319084 67181 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 0.462 4 3 0 -12.6446294793273 67174 CC(CCC(=O)O)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O 1 3.413 0 4 -2.44510422587469 67173 CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.Cl Cl- 1 3.976 1 2 -3.79064103026484 67133 CC1=CC(=C(C=C1N)Cl)NC(=O)C2=CC=CC=C2 1 3.018 2 1 -3.24524941335002 67126 C1(=O)C(=O)NC(=O)N1 1 -1.082 2 3 0 -6.85712478441277 67061 C1C(=NN(C1=O)C2=CC=CC=C2)C(=O)O 1 0.898 2 3 0 -5.96042100203568 67059 CC1=NN(C(=O)C1)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.017 3 3 0 -6.86778916199098 67038 CC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)O)C 1 0.942 2 4 0 -6.98251759032527 67001 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N 1 2.02 3 4 0 -6.30505948718078 66949 CC1=NN=C(S1)N 1 -0.182 3 0 0 -2.35351309266278 66916 C1=CC=C(C=C1)NCCCNC2=CC=CC=C2 1 3.158 2 0 -1.27629167813048 66856 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 4.354 2 2 -0.21040263460154 66807 COC1=CC(=C(C=C1N)Cl)OC 1 1.714 1 2 0 -1.09670125528567 66804 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)N 1 0.881 2 3 0 -11.050240808165 66778 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)[N+](=O)[O-] 1 1.327 2 4 0 -8.92118467589664 66738 C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)N 1 3.308 1 1 5.90284048892734 66734 C1=CC=C(C=C1)C(=O)OC2=CC3=CC=CC=C3C=C2 1 4.17 0 2 -3.36714392155803 66733 C1=CC=C2C=C(C=CC2=C1)NC(=O)CS 1 2.158 1 1 -0.991330363779451 66721 COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.264 1 3 1.08495726708393 66672 CC1=CC=C(C=C1)NC2=C(C=C(C=C2)N)S(=O)(=O)O 1 2.452 2 3 -2.5062598019155 66671 C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)S(=O)(=O)O 1 1.966 2 3 0 -2.66291394028884 66656 CC1=NN(C(=O)C1)C2=CC(=CC=C2)Cl 1 1.787 2 1 0 -0.53733993211155 66643 C1=CC=C(C(=C1)CC(=O)O)C(=O)O 1 1.124 0 4 0 -5.07216738401579 66642 CCNC1=CC=CC=C1C(=O)O 1 1.617 1 2 0 -4.3477033635718 66636 CCOC(=O)C1=NN(C(=O)C1)C2=CC=CC=C2 1 1.473 2 3 0 -7.89160934041017 66609 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(C)C 1 4.462 1 1 3.18971740935798 66593 C1=CC2=C(C=C1Cl)NC=CC2=O 1 1.877 1 1 0 -1.20020391558365 66582 C1=CC2=C(C(=C1)C(=O)O)N=CC=C2 1 1.646 1 2 0 -2.77296657458132 66573 CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C31 1 3.772 2 2 3.10498756144741 66572 COC1=CC=C(C=C1)NC(=O)C2=C(C=C3C(=C2)C=CC4=C3NC5=CC=CC=C45)O 1 4.757 2 3 4.23218367382063 66564 C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O 1 3.528 0 3 -1.76227967744496 66548 CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C 1 2.67 0 4 -5.16361807248785 66541 CN1C2=NC(=O)N(C(=O)C2=NC=N1)C 1 -0.512 5 2 0 0.563272072622474 66532 CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O 1 4.208 0 2 5.1638375478405 66519 C1CC(=O)N(C1=O)C2=CC=CC=C2 1 0.99 1 2 0 -6.83083721293051 66494 C1=CC=C(C(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C(=O)O 1 4.234 0 4 -2.18806993056398 66479 C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O 1 2.846 2 3 -5.16487625874176 66454 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)N 1 1.571 2 2 0 -1.33049755071108 66368 CC(C)NCC(COC1=CC=CC=C1CC=C)O.Cl Cl- 1 2.639 1 2 -7.37684241166817 66366 CC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O.Cl Cl- 1 2.54 1 2 -2.70815590738365 66346 CC(=O)OC1=C(C=C(C=C1)C(=O)O)OC 1 1.211 0 5 0 -6.25485293417859 66287 CC(=O)C1=CC=C(C=C1)SC2=CC=CC=C2 1 3.688 0 1 -1.59999025554028 66266 C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl Cl- 1 4.392 1 1 1.6806254311202 66259 CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C.Cl Cl- 1 3.282 2 1 -2.72952276568481 66146 C1=NC(=C(N1)C(=O)N)N.Cl Cl- 1 -1.197 4 1 0 -3.07807992208893 66141 CC(=O)N1CCC[C@H]1C(=O)O 1 -0.343 1 3 0 -7.59658573912086 66065 COC1=C(C=C2C(=C1O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC2=O)O 1 -0.849 0 9 0 -9.43484307569941 66041 C=CC1=CC=C(C=C1)C=C 1 2.933 0 0 -0.97171548190438 65790 COC1=CC(=CC(=C1OC)OC)C(=S)N2CCOCC2 1 2.306 1 4 -8.94773398297437 65768 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CN=CC=C3 1 2.085 3 1 -11.7465242788879 65760 C1[C@H]([C@@H]([C@H](C(O1)NC2=CC=C(C=C2)C(=O)O)O)O)O 1 -0.377 1 6 0 -9.57289558921436 65752 C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4 1 3.359 3 1 -6.53978641046836 65751 CCCCCC1=C2C(=CC(=C1C(=O)O)O)OC(=O)C3=C(O2)C=C(C=C3CC(=O)CCCCC)O 1 6.249 0 8 0 -6.66687142043533 65663 CCOC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C 1 1.611 2 5 0 -23.257767190229 65630 C1CN2CCC1C(C2)OC(=O)C3=CC=CC=C3 1 2.221 1 2 -3.16910785159621 65614 CC(CC1=CC=CC=C1)NC=O 1 1.577 1 1 0 -1.1307761772748 65576 C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1 1 4.617 1 2 -5.01346751334282 65558 C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)Cl 1 2.638 6 2 0 -9.66487267272061 65549 CCNC(=O)C1=C(N=CN1)C(=O)NCC 1 -0.45 4 2 0 -11.2076263313986 65483 CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O.Cl Cl- 1 3.532 1 1 -1.21770509610739 65407 C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)[N+](=O)[O-] 1 0.885 5 6 0 -17.8508767656442 65373 COC1=C(C=CC(=C1)C[C@@H](CO)[C@@H](CC2=CC(=C(C=C2)O)OC)CO)O 1 2.843 0 6 3.94571796421169 65348 C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.Cl Cl- 1 -4.4e-002 1 11 0 -4.85734597985201 65341 CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC.Cl Cl- 1 5.38 1 2 -2.52157501974565 65309 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O 1 -2.972 1 8 0 -9.51039882746032 65275 COC1=NC(=NC2=C1NC=N2)N 1 5.9e-002 5 1 0 -1.33070727599054 65253 C[C@@H](C(=O)C1=NC2=C(NC1)NC(=NC2=O)N)O 1 -1.763 5 3 0 -11.4802067274219 65237 CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C 1 2.767 2 0 4.94542051375594e-002 65188 CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C 1 2.687 0 3 -2.81954936879826 65182 CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C=C3O2 1 3.889 2 2 -6.08348026887536 65093 C1=CC=NC(=C1)SSC2=CC=CC=N2 1 3.315 2 0 -0.945862167939778 65047 CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=CC=CC=C5C(=O)O3 1 3.756 0 7 0 -8.33884136268443 64983 C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CN3 1 2.35 3 1 0.411289601050709 64971 CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O 1 6.546 0 3 -3.78083906683587 64964 C1CNCCNCCCNCCNC1 1 -1.464 4 0 0 -4.67532899780001 64963 C1CNCCNCCNCCN1 1 -1.589 4 0 0 -3.8314011114067 64952 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 1 0.18 4 3 0 -10.7491521438779 64865 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NN 1 3.39 2 2 -4.82432825880141 64853 COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=CC=CC=C3Cl 1 3.979 2 4 -6.37574953250953 64798 C1=CC=C(C=C1)C(CC(=O)O)C2=CC=CC=C2 1 3.234 0 2 -7.74459047001728 64796 C1CC(=O)NC2=CC=CC=C21 1 1.275 1 1 0 -4.77724443308544 64764 CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C.Cl Cl- 1 5.176 1 0 1.36135601376357 64737 CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C.Cl Cl- 1 4.31 2 1 -9.02054644053725 64658 C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[I-] I- 1 0.366 1 3 0 -8.27169068171498 64650 CN1CC[C@@]23CCCCC2C1CC4=C3C=C(C=C4)OC 1 3.674 1 1 0.139689167421324 64647 CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4.Cl Cl- 1 3.043 2 2 -3.912528804137 64617 C1CC(=O)N(C1)CC(=O)NC2C3CC4CC(C3)CC2C4 1 1.152 2 2 0 -16.5053623717124 64616 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=CN=C4)Br 1 2.778 2 1 -6.53514703418934 64580 CC12CN3CC(C1=O)(CN(C2)C3C4=CNC5=CC=CC=C54)C 1 2.593 3 1 -5.32649806617936 64233 C1COCCN1CCC(=O)NC23CC4CC(C2)CC(C4)C3.Cl Cl- 1 1.458 2 2 0 -7.94238210691034 64211 C1CCN(C1)CC(=O)NC23CC4CC(C2)CC(C4)C3.Cl Cl- 1 1.983 2 1 0 -6.21451791764608 64201 CCN(CC)CC(=O)NC12CC3CC(C1)CC(C3)C2.Cl Cl- 1 2.22 2 1 -6.86226411400507 64196 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CN=CC=C4 1 2.03 2 1 -8.77286828817253 64179 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4 1 2.598 3 2 -13.8419865258387 64137 CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C 1 1.361 5 2 0 -12.304776284393 64127 CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C 1 0.885 4 2 0 -9.31956556535121 64125 CN1C2=C(N=C1OCC=C)N(C(=O)N(C2=O)C)C 1 1.042 4 3 0 -13.692637254755 64116 CCCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C 1 1.297 4 3 0 -9.5998800172945 64049 CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=N3 1 2 3 1 0 -6.89025545658526 64048 C1=CC=C2C(=C1)C(=O)NC(=O)N2 1 0.564 2 2 0 -10.374626856785 64027 CC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CO3 1 1.8 2 2 0 -6.47478978371615 63994 C1CC(=O)N(C1)CC(CN2CCOCC2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5 1 3.322 4 3 0 -23.7558722578859 63983 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(CN4CCCCC4)CN5CCCC5=O.Cl Cl- 1 4.535 4 3 0 -21.3946162518282 63744 CN1CCN(CC1)CC2=NC(=O)C3=CC=CC=C3N2 1 0.792 4 1 0 -1.73824239816004 63719 CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)[N+](=O)[O-] 1 2.506 3 3 -8.75998460686495 63711 CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C(F)(F)F 1 3.554 2 1 -1.23967925083734 63708 CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-] 1 2.506 3 3 -8.37283946133389 63441 C1=CC=C(C=C1)C2=NC(=O)NC3=C2C=C(C=C3)Br 1 3.769 2 1 -3.39360994213928 63430 C1=CC=C(C=C1)C2=NC(=O)NC3=CC=CC=C32 1 3.021 2 1 -5.42784343000989 63399 C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CC=C4 1 2.464 4 1 -0.655017436763845 63395 CC1=CC(=C(C=C1)C)N2C(=NC3=CC=CC=C3C2=O)C 1 3.584 2 1 -6.70266661142587 63382 CC1=CC(=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C)C 1 3.584 2 1 -6.42097532921 63367 CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F 1 2.817 2 1 -5.56656464851141 63364 CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3[N+](=O)[O-] 1 2.506 3 3 -7.30694636978372 63248 CC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3 1 2.939 2 1 -4.19089165005164 63204 C1=CC=C(C=C1)C2=NC(=O)NC3=C2C=C(C=C3)Cl 1 3.685 2 1 -2.06128522226194 63203 CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)Cl)Cl 1 3.94 2 1 -3.17728030834693 63195 CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C(F)(F)F 1 3.554 2 1 -5.81132165275805 63152 C1=CC=C(C=C1)C2=NC(=O)NC3=C2C=C(C=C3)SC(F)F 1 4.385 2 1 -5.16180121624594 63139 C1COCCN1C2=NC(=O)C3=CC=CC=C3N2 1 0.718 3 2 0 -8.52470270543809 63127 CN1C=NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-] 1 0.85 3 3 0 -2.29563446785218 63121 C1=CC=C(C=C1)CC2=NC(=O)C3=CC=CC=C3N2 1 2.528 2 1 -5.21441817632728 63120 CC1=C(N=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C 1 2.486 3 1 -7.10165085304241 63118 CC1=C(C(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C)C 1 3.584 2 1 -3.77549122658051 63114 CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C=CC4=CC=CC=N4 1 4.508 3 1 -7.11545111669348 63112 C1=CC=C2C(=C1)C(=O)N=CN2 1 0.75 2 1 0 -3.50596180453466 62946 C[C@H]([C@@H](C1=CC=CC=C1)O)NC 1 1.234 1 1 0 -2.84445466768499 62923 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O.Cl Cl- 1 3.022 1 2 1.60421606065156 62881 CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O.CS(=O)(=O)O CS(=O)(=O)O 1 -0.89 6 8 0 -17.4697309306925 62770 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O.Cl Cl- 1 0.628 1 10 0 -6.44432707277501 62725 CC(C)CC1=NC=CS1 1 1.921 1 0 0 0.758252771291629 62547 C1CC2=CC=CC3=C(C=CC1=C23)N 1 2.592 1 0 3.51903571121217 62413 CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl Cl- 1 4.137 2 0 0.269241175916471 62362 COC1=C(C=CC(=C1)CC=C)OC(=O)C2=CC=CC=C2 1 4.253 0 3 -11.1725681034029 62186 CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3CO3 1 3.962 0 2 1.06210088223626 61301 C1=CC2=NNN=C2C=C1[N+](=O)[O-] 1 1.284 4 2 0 -0.227444794952606 61179 C(C(Br)(Br)Br)Br 1 3.199 0 0 2.37233849777784 61055 C1COCCN1CCCN 1 -0.759 2 1 0 -0.923097003627972 60975 CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O.Cl Cl- 1 2.491 1 1 3.07213663319213 60934 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.CS(=O)(=O)O CS(=O)(=O)O 1 3.667 6 5 0 -22.9017658426327 60854 C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54 1 3.639 4 1 2.50779243421144 60834 CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl Cl- 1 3.846 1 1 0.922462577011612 60773 CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N 1 -0.678 6 4 0 -16.2409624459671 60772 CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N.Cl Cl- 1 -0.678 6 4 0 -16.2409624459671 60758 CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl Cl- 1 1.654 4 1 0 -2.00233975297504 60700 CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=C(C5=C4)CN(C)C)O)O 1 1.577 3 5 0 0.661711204693951 60699 CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=C(C5=C4)CN(C)C)O)O.Cl Cl- 1 1.577 3 5 0 0.661711204693951 60605 C[C@@H]1CN(C[C@@H](N1)C)C2=C(C3=C(C(=C2F)F)C(=O)C(=CN3C4CC4)C(=O)O)F 1 -0.104 3 3 0 -2.83708012731185 60464 C[C@@H]1CN(C[C@@H](N1)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F 1 -1.056 4 3 0 -3.76979806909349 60290 C1CCN(CC1)CCNC(=O)C2=CC=CO2 1 1.489 2 2 0 -6.61558190463605 60164 COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5 1 6.279 0 3 8.46099759742213 60063 C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)N)F)C(=O)O 1 -0.72 3 3 0 -2.27971518489827 58953 C1CCCN(CCC1)CC2=CNC3=CC=CC=C32 1 4.026 2 0 3.20161163128106 58638 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2 1 0.826 3 3 0 -7.15259390409584 58035 C1=CC(=C(C=C1O)C=CNC=O)O 1 0.329 1 3 0 5.20971495327227 57687 C1=COC(=C1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl 1 3.527 3 3 -5.27828077691158 57491 C1=CC=NC(=C1)CC2(C3=C(C=CC(=C3)Br)NC2=O)O 1 1.774 2 2 0 -4.35651714427038 57469 CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N 1 2.722 4 0 -1.35250722457439 57381 CC(C)CCOC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CN3CCOCC3)C 1 2.449 3 4 0 -6.42261218051915 57341 CC1=CC=CC=C1NNC(=O)C(=O)NNC2=CC=CC=C2C 1 2.898 4 2 -4.46298719849882 57338 C1=CC(=CC=C1N2C=C(C(=O)C3=CC(=C(C=C32)Cl)F)C(=O)O)F 1 3.825 1 3 -3.28763408448087e-002 56959 CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O 1 2.991 3 4 0 -15.0461438067935 56458 CC1=CC=C(O1)C=NNC(=O)C2=CC=NC=C2 1 1.073 3 2 0 -5.83318095339671 56375 CCN(CC)CC(=O)C1=CNC2=CC=CC=C21 1 2.567 2 1 -0.433155980294748 56251 CC1=C(NC(=C1C(=O)C)C)C2=CC=CC=C2 1 3.105 1 1 -1.54774569633134 56212 C1COCCN1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O 1 2.844 2 2 2.09260295751051 56210 C1CCN(CC1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O 1 4.074 2 1 4.4912091684226 56209 CCN(CC)CC(CN1C2=CC=CC=C2C3=CC=CC=C31)O 1 3.854 2 1 2.11250732493153 55935 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CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F.Cl Cl- 1 4.126 3 0 4.76363034638091 43003 CN1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)N 1 0.431 3 2 0 2.20096784256955 43001 C1CCN(C1)C2=C(C(=O)OC3=CC=CC=C32)N 1 0.935 2 2 0 -0.423969039276025 43000 C1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)N 1 1.792 2 2 0 0.186324293913166 42999 C1=CC=C(C=C1)CNC2=C(C(=O)OC3=CC=CC=C32)N 1 1.521 2 2 0 -1.98342410282818 42997 CNC1=C(C(=O)OC2=CC=CC=C21)N 1 -6.2e-002 2 2 0 -3.37648874046271 42890 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O 1 0.644 1 9 0 -5.92841885613629 42807 CC(C(=O)O)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2 1 3.656 1 3 -5.26212076611207 42786 C1C2=C(C=CC(=C2Cl)Cl)NC3=NC(=O)CN31.Cl Cl- 1 1.965 3 1 0 -6.35041226121275 42725 C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)N 1 1.121 3 1 0 -6.04483934976449 42650 CC(=O)NC1=NC(=CS1)C2=CC(=CS2)[N+](=O)[O-] 1 1.742 3 3 0 -1.79209279355857 42640 CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-] 1 -1.277 5 4 0 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4 3 0 -9.11033460840359 40672 CCOC(=O)C1=C(N(C(=C(C1C2=CC=NC=C2)C(=O)OCC)C)C)C 1 1.954 2 4 0 -10.5087834463008 40634 CC1=C(C(=C2CCC(OC2=C1C)(C)C(=O)O)C)O 1 3.489 0 4 -0.446160122546553 40632 CC1=CN(C(=O)C=C1)C2=CC=CC=C2 1 1.905 1 1 0 -4.2253217290123 40598 C1CN(CCC1NC(=O)C2=CC=CC=C2)CC3=CC=CC=C3 1 2.732 2 1 -3.2178857446378 40596 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC=NC4=C3NC=N4 1 0.307 7 1 0 -10.5014764904864 40539 C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1 1 -4.08 3 5 0 -8.7739321152539 40302 C1=CC=C(C=C1)C2=CSC(=N2)N 1 2.027 2 0 6.70377623415705 40230 CC1=C(NC2=CC=CC=C12)C(=O)COC 1 2.377 1 2 -0.88200513112008 40146 CC1=CC(=CC(=C1)C(=O)NCC2=CC=NC=C2)C 1 2.443 2 1 -8.14476426688595 40132 CC(=NO)CC1(C2=CC=CC=C2N(C1=O)C)O 1 0.233 2 3 0 -1.37552985817348 40127 CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O.Cl Cl- 1 1.282 2 3 0 -14.8718488166885 40122 CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)C3=CC=CC=C3 1 3.979 1 4 6.82256446513843 40118 C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O 1 2.136 0 5 -0.925771556696477 40113 C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl 1 3.713 2 1 0.388689662240652 40076 COC(=O)C1=CC=CC=C1NC(=O)C2=C[NH+]=CC=C2.[Cl-] Cl- 1 1.868 2 3 0 -9.6695532615874 39854 C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.611 1 4 -2.11423205736641 39794 CCCN(CCC)C1=CC=C(C=C1)CC(=O)NC(C)CC2=CC=CC=C2 1 5.262 2 1 -13.8052991457046 39771 C1C2=CC=CC=C2C(C3=CC=CC=C3S1)C(=O)N 1 2.657 1 1 -2.9113011723032 39764 CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-] Br- 1 4.147 2 4 -11.8930175538213 39688 C1COCCN1C2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 1.1 2 5 0 -9.99039449537549 39687 CCCN(CCC)C1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-] 1 3.158 2 4 -9.17524064062428 39686 CCN(CC)C1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-] 1 2.11 2 4 -8.68077564252602 39685 C1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 2.731 2 4 -7.42236821712561 39684 C1=CC=C(C=C1)CNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 2.46 2 4 -9.49124738311408 39660 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)OC 1 1.549 0 4 0 -9.20217023723377 39562 C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O 1 4.65 2 2 -1.37536988691137 39556 CN(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] 1 3.27 2 4 -5.86455373783059 39508 CCOC(=O)CC1=CC2=C(C=C1)SC(=N2)C3=CC=CC=C3 1 4.077 1 2 0.153113773714983 39450 CCN(CC)CC1=CNC2=CC=CC=C21 1 2.894 2 0 1.33853580954947 39378 CC(=O)C1=CC2=C(O1)C(=CC=C2)OC 1 2.148 0 3 0.141038994255631 39302 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O 1 4.382 0 3 -0.589794963046492 39164 CN(C)C1=CC=C(C=C1)N=NC2=CC=CC3=C2OC=C3 1 4.665 3 1 6.06231801025326 38911 CC1=CC(=O)N(C(=C1)C2CCCCC2)O.C(CO)N NCCO 1 2.489 1 2 0.803303255664425 38853 C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N 1 -1.778 1 4 0 4.10869227954708 38742 CC1=C(NC2=C1C=CC=C2[N+](=O)[O-])C 1 2.649 2 2 2.59269818852247 38727 CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)CN3CCCCC3 1 3.39 1 4 -1.00990526176557 38669 COC1=CC(=C(C(=C1)OC)C2SCCS2)OC 1 2.961 0 3 -4.08013091075263 38661 CC1=CC=CC=C1NC(=O)CC2=CC=CC=C2 1 3.135 1 1 -8.14870822599415 38370 COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)N)OC 1 2.562 2 4 -5.62101879772445 38336 CC1(CC(P(=O)(O1)C2=CC=CC=C2)(C)O)C 1 1.482 0 3 0 -2.09359288894814 38333 COC1=CC2=C(C=C1)NC(=O)C2=O 1 0.654 1 3 0 -2.6689621062264 38280 CCCOC(=O)C1=CC2=CC=CC=C2OC1=O 1 2.587 0 4 -8.88781428944566 38258 C(NC(=O)NC1C(=O)NC(=O)N1CO)NC(=O)NC2C(=O)NC(=O)N2CO 1 -4.009 8 8 0 -9.50091218253694 38115 C[N+]1=CC=C(C=C1)C2=CC=NC=C2.[I-] I- 1 1.802 2 0 0 4.35006165641846 38105 C1=CC=C(C=C1)CCNC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 3.97 1 1 -7.33128369619025 38047 C1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)N 1 1.391 2 2 0 -0.778437553444104 38046 C1=CC=C2C(=C1)C(=C(C(=O)O2)N)N 1 -0.494 2 2 0 -0.934723680705788 38045 C1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 2.33 2 4 -8.40130837266272 38044 C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])N 1 0.445 2 4 0 -6.7655561577027 37839 C[C@]12C[C@]1(C(=C[C@H]3[C@@H]2CC(C3)(C)C)C=O)C=O 1 2.204 0 2 -3.71963778908943 37625 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCNC4=O)C(=O)O)C 1 4.e-003 5 6 0 -22.2758087895666 37618 C1=CC=C(C=C1)NC(=O)OC2=CC=CC(=C2)C=O 1 2.929 1 3 -4.50734076759068 37560 C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N 1 2.493 3 1 -1.11058021142737 37542 C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N 1 -2.745 4 5 0 -12.5282889132333 37534 C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)CC(=O)O 1 3.503 1 2 2.70228877667299 37439 C1[C@@H](C([C@H](CC1(C(=O)O)O)O)O)O 1 -2.367 0 6 0 -0.901890570174881 37392 CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.Cl Cl- 1 8.2 1 1 5.45750868336877 37200 CC(=O)NC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.146 2 2 1.91838918246233 37175 C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl 1 3.349 2 1 4.10649529176256 37034 C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl 1 7.334 0 0 2.44854623070352 36851 C1=CC=C(C(=C1)C(=O)NC2=NC=C(C=C2)Cl)F 1 2.873 2 1 -3.62045331028707 36755 CC(C)(C)NC1=NC(=NC(=N1)NC)Cl 1 1.447 5 0 0 -8.29606706721769 36605 C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O.[Na+] Na+ 1 -6.88 4 11 0 -14.6144007828149 36460 CC(=O)CC1(C2=CC=CC=C2NC1=O)O 1 -4.e-002 1 3 0 -10.0442278872545 36316 CCOC1=CC=C(C=C1)C(=O)C2=CC=NC=C2 1 2.416 1 2 -2.8872213131055 36314 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C 1 3.055 1 14 0 -21.242581536622 36294 C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N 1 -6.86 5 9 0 -12.6108971619604 36159 C1=CC(=C(C=C1Br)Br)OC2=CC(=C(C=C2Br)Br)Br 1 7.132 0 1 4.44460433600788 35922 COC1=C(C=C2CN(CCC2=C1)CC3=CC=C(C=C3)F)OC 1 3.734 1 2 -3.8105301233406 35914 COC1=C(C=C2CN(CCC2=C1)CC3=CC=CC=C3)OC 1 3.528 1 2 -5.33722205358545 35758 CN1CCC(=C2C3=CC=CC=C3C(C4=CC=CC=C42)O)CC1 1 3.383 1 1 1.04529890296622 35757 CC(=O)NC1=CC=C(O1)C(=O)OC 1 0.325 1 4 0 -6.06792952791581 35306 CCOC1=NC(=NC(=N1)NC(C)C)NC(C)C 1 1.966 5 1 0 -6.34790733797213 35246 C1=CC(=CC=C1C2=NC(=NC(=N2)N)C3=CC=C(C=C3)Cl)Cl 1 4.288 4 0 6.34393479035527 35025 CCOC1=NC(=NC(=N1)NC2=CC=CC=C2)OCC 1 3.086 4 2 -1.23651325901631 35020 COC1=NC(=NC(=N1)NC2=CC=CC=C2)OC 1 2.388 4 2 -3.58153654817814 34942 C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CCl 1 1.642 5 0 0 9.13722960549189e-002 34920 C1=CC(=C(C=C1C2=NC(=NC(=N2)N)N)Cl)Cl 1 2.443 5 0 5.60600597344848 34865 C1COCCN1CC(=O)C2=CNC3=CC=CC=C32 1 1.557 2 2 0 -2.82503164813116 34864 C1CCN(CC1)CC(=O)C2=CNC3=CC=CC=C32 1 2.786 2 1 -0.426425437219075 34863 CN(C)CC(=O)C1=CNC2=CC=CC=C21 1 1.869 2 1 0 -1.07388854380482 34757 CC1=CC2=C(C=C1C)SC(=N2)N 1 2.681 2 0 2.79213060917107 34633 CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CCOCC4 1 3.075 3 4 0 -3.7591753768918 34623 CN(C)CC1=C(C=CC2=C1C(=CO2)C(C3=CC=CC=C3)O)O 1 2.972 1 3 3.48642533305656 34617 CN(C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=C(C=C3)OC)O 1 3.353 1 4 6.54938672753737 34611 CN(C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=CC=C3)O 1 3.369 1 3 6.16670536917216 34592 C1CCC2=C(C1)C3=C(NCC(=O)N=C3S2)C4=CC=CC=C4 1 2.894 2 1 -8.45542453239661 34458 COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC 1 3.4 1 4 -5.44661902762933 34359 C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN 1 0.364 2 4 0 3.06637703063624 34281 CC1=CC(=C(O1)C)C(=O)NC2=CC=CC=C2 1 2.009 1 2 -6.16080999669637 34209 CC(=O)NC1=CC=CC2=C1CC3=CC=CC=C32 1 2.613 1 1 -2.41921051137028 34001 C1CC(CCC1CN)C(=O)OC2=CC=C(C=C2)CCC(=O)O.Cl Cl- 1 0.17 1 4 0 -14.0644526628824 33839 C1COCCN1CC2=C(C=CC3=CC=CC=C32)O 1 2.257 1 2 6.38284552921323 33741 CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O 1 2.7 1 2 3.84553906939248 33631 C1CCC(CC1)NCCC(=O)O 1 -1.333 1 2 0 -5.26220867703151 33625 C1CN(CCC1NC(=O)C2=CC=CC=C2)CCC3=CNC4=CC=CC=C43 1 3.347 3 1 -4.19422263073754 33613 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C 1 -2.539 3 5 0 -7.52913521162329 33611 CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl.Cl Cl- 1 6.308 2 1 2.81522237440777 33493 CC(=NNC(=O)C1=CC=CC=C1)C(=O)O 1 0.765 2 3 0 -5.32673843535022 33462 C1=CC2=C(C=C1O)SC(=N2)N 1 1.466 2 1 0 5.6922407580665 33271 CC(=O)N1CN(CN(C1)C(=O)C)C(=O)C 1 -1.859 3 3 0 -5.10542196295412 33028 CC1=C2C(=NN(C(=O)C2=NO1)C3=CC=CC=C3)C4=CC=CC=C4 1 3.308 3 2 -3.87687128979179 32752 CC(=O)N1C2=CC=CC=C2OC1=O 1 1.33 1 3 0 -0.174452308055637 32607 COC1=CC(=CC(=C1OC)OC)OCC(=O)N 1 0.618 1 5 0 -7.33298144823052 32593 C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCCC(=O)C3=CC=C(C=C3)F 1 4.432 1 2 2.07897136825622 32475 C1CSC2=C(S1)C(=O)N(C2=O)C3=CC=CC=C3 1 1.699 1 2 0 -3.03157088770196 32385 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CCl 1 4.246 0 0 4.57839017370918 32366 CC(C)(C)C1=NC2=CC=CC=C2N1 1 3.152 2 0 1.2951960461524 32251 C1=CC(=CC=C1C(=O)CN2C=CN=C2)Cl 1 1.843 2 1 0 0.262370401386492 32238 C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)O 1 2.324 2 1 6.09501316220757 32169 CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC.Cl Cl- 1 2.072 2 3 -9.08584405145711 32044 CCC(C)(C(=O)O)NC(=O)CSP(=S)(OCC)OCC 1 1.85 1 5 0 -10.7753279930059 32030 CC1=CC(=NN1C2=NC3=CC=CC=C3S2)C 1 3.11 3 0 1.8363936352788 31898 CN(C)S(=O)(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 1.892 2 3 0 0.555927056249158 31840 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC 1 2.955 2 7 0 -2.09199091000263 31772 CC1CS(=O)(=O)CCN1N=CC2=CC=C(O2)[N+](=O)[O-] 1 0.772 3 5 0 -6.14758723284465 31736 C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)O 1 2.898 0 4 -7.54750676897991 31728 C[C@@H]([C@@H](C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O.Cl Cl- 1 2.655 1 3 1.3884427082392 31703 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O 1 -4.4e-002 1 11 0 -4.85734597985201 31559 C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)NC3=CC=CC=N3 1 4.001 2 1 -5.81446855063661 31553 COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O 1 2.592 0 10 0 -1.7864446970567 31475 C1=CC(=CC=C1OC2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3O)I)I)Cl)Cl 1 6.418 1 3 9.26473797937414 31404 CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C 1 4.875 0 1 3.10032751210732 31316 CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O 1 7.367 0 4 0.250665415642902 31244 COC1=CC=C(C=C1)C=O 1 1.573 0 2 0 -2.59055923554536 31236 C1=CC=C(C=C1)OCCO 1 1.274 0 2 0 1.0649349341807 31230 CC(=O)NC1=CC=C(C=C1)N 1 0.203 2 1 0 -3.06456012349341 31206 CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] 1 0.844 2 3 0 -5.81858773028975 31130 CCN(CC)C1=NC(=O)N=C(N1)N(CC)CC 1 1.668 5 1 0 -5.35159059348122 31116 CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C 1 4.119 5 5 0 -2.34828868841588 31092 CCCNC(=O)C1CNC2=CC=CC=C2O1 1 1.508 2 2 0 -12.3332841968745 30976 C1=NC2=C(N1)C(=NC(=N2)N)N 1 -0.671 6 0 0 -0.141471374483576 30923 C1=CN(C=C1)C2=CC=C(C=C2)CC(=O)O 1 2.37 1 2 -3.33844515629819 30897 CC1=CC=CC=C1C2=NN=C(O2)C3=CC=CC=C3C 1 4.026 2 1 1.24438524770052 30823 CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)OCC(CO)O 1 2.724 2 4 -2.79919097034509 30717 C1C2=CC=CC=C2C(=O)N3N1C(=O)C4=CC=CC=C4C3 1 1.79 2 2 0 -2.54552803644608 30700 CCOC(=O)C1=CC=C(C=C1)N=NN(C)C 1 2.418 3 2 -1.27773762574026 30667 CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl.Cl Cl- 1 2.765 2 1 -3.56528851570988 30553 COC(=O)C1=CC2=CC=CC=C2OC1=O 1 1.715 0 4 0 -8.71654198281109 30541 CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C 1 4.864 1 2 -9.98759161896055 30386 C1=CC2=C(C=CN=C2)C(=C1)O 1 1.345 1 1 0 6.08882266244183 29949 C1=C(C(=CC(=C1Cl)N)Cl)N 1 1.665 2 0 0 1.98354516152578 29661 C1=C(OC(=C1)[N+](=O)[O-])C=[N+](CCO)[O-] 1 -0.205 2 5 0 1.83600513340355 29511 C1=CC=C(C=C1)C(=O)OCCCCOC(=O)C2=CC=CC=C2 1 3.831 0 4 -4.76695833317743 29508 COC1=CC=C(C=C1)OC(=O)NC2=CC=CC=C2 1 3.153 1 3 -1.33612499515676 29499 CC1CCCCN1CC2=CNC3=CC=CC=C32 1 3.491 2 0 -0.3058855147383 29392 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4 1 3.181 1 1 -7.58535504548691 29143 C1=CC(=CC(=C1)P(=O)(C2=CC=CC(=C2)[N+](=O)[O-])O)[N+](=O)[O-] 1 2.552 2 6 0 -5.37660747306173 29086 CC(CC1=CC=CC=C1)NC(=O)CC2=CC=C(C=C2)N(C)C 1 3.517 2 1 -10.5551923033077 28996 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CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CCOC(=O)C 1 1.656 4 4 0 -14.279314782426 22576 CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl Cl- 1 4.327 1 0 1.92858388389608 22420 C1CNP(=O)(OC1)N(CCCl)CCCl.O H2O 1 0.144 2 2 0 -6.66435548454117 22411 CC(=O)SCC[N+](C)(C)C.[Cl-] Cl- 1 -0.637 1 1 0 -6.6607900128648 22275 CC(CNC)C1=CC=CC=C1.Cl Cl- 1 2.008 1 0 -2.25851693033967 22122 CCCCC1=NC2=CC=CC=C2N1 1 3.185 2 0 -0.479994342579728 21924 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 1.707 3 2 0 -16.3668352322889 21846 C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4.Cl Cl- 1 3.364 2 2 -0.84561586788408 21810 CC1=CC(=NC(=N1)N)Cl 1 0.981 3 0 0 -1.87372481361196 21700 CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)OC(=O)CC 1 4.064 0 7 0 -7.88923867462887 21672 CCC(C)CCCCCCCCCCC(=O)O 1 5.732 0 2 -9.80137455522165 21632 CC(C)C(=O)C1=CC(=C(C=C1)O)O 1 2.215 0 3 2.89911835621226 21624 CCCC1=NC2=CC=CC=C2N1 1 2.729 2 0 0.40607349808604 21622 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COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC 1 1.275 2 3 0 -3.82698804919532 21107 C1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(=O)O 1 1.912 0 4 0 -2.04790038553011 21103 CC1=NNC(=O)C2=CC=CC=C12 1 0.833 2 1 0 -7.0838771135224 21035 C1=CC2=C(C(=C1)O)C(=CC(=O)C2=O)O 1 0.968 0 4 0 3.2191873262839 21010 CN1C=NC(=C1Cl)[N+](=O)[O-] 1 0.815 3 2 0 -1.15126407800775 20992 C1=CC(=O)N(C1=O)CCCCCCN2C(=O)C=CC2=O 1 0.997 2 4 0 -1.18607894942764 20926 CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OC 1 2.602 1 3 1.78297405673889 20879 CC1=CC(=C(C=C1)N=C(N)N=C(N)N)C 1 0.955 5 0 0 2.49176285252405 20812 C1=CC(=NC(=C1)Cl)C(=O)O 1 1.611 1 2 0 -3.81896688998764 20784 CN1CCC(C(C1)C(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O 1 2.545 1 2 3.53513163244212 20612 C1=CC(=CC=C1C2=NC(=NC(=N2)N)N)Cl 1 1.778 5 0 0 6.19106737559825 20601 C1=CC=C(C=C1)C2=NC(=O)NN=C2C3=CC=CC=C3 1 3.216 3 1 -7.68784193084666 20557 C1C2(CN(CC(C2=O)(CN1CCCO)C3=CC=CC=C3)CCCO)C4=CC=CC=C4 1 1.808 2 3 0 0.126186826107218 20523 C1=CC=C(C=C1)NC(=O)CCCCC(=O)NC2=CC=CC=C2 1 2.863 2 2 -7.80853835120458 20499 C1=COC(=C1)CSSCC2=CC=CO2 1 2.916 0 2 -0.787498614524715 20477 C1=CC=C2C(=C1)C3=CC=CC=C3C2(CCC(=O)O)CCC(=O)O 1 3.22 0 4 -4.38306347444524 20415 CC1=C(C=C(C=C1)NC2=C(C=CC=N2)C(=O)O)C 1 3.37 2 2 -1.65578410262649 20323 CC1=CC(=NC(=N1)N=C(N)NC2=CC=C(C=C2)[N+](=O)[O-])C 1 1.133 6 2 0 -5.0518349810481 20298 CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O.[Cl-] Cl- 1 3.191 1 1 -1.47128337538731 20262 C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3N 1 1.347 5 0 0 -5.26961561929403 20231 CC1=C(C=C(C(=O)N1)C#N)C2=CC=CC=C2 1 1.507 2 1 0 -8.21911842031066 20118 C1=CC=C(C=C1)CCNCC(C2=CC=CC=C2)O 1 2.761 1 1 0.305578115249845 20085 CC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2 1 3.319 3 1 0.495420306265069 20039 C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CN=C3N 1 -0.476 5 2 0 -3.4640938419367 19871 CCC(C(C)(C)C)O 1 2.008 0 1 -1.67463814719094 19708 C1=CC=C(C=C1)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 1 4.29 1 3 -3.69314925643207e-002 19703 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.107 2 5 0 -11.2613563354216 19692 CC1=CC=CC=C1OC2=CC=CC=C2N 1 3.129 1 1 1.08212340526387 19675 CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO 1 4.214 2 2 1.11900240395325 19646 C1=CSC(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-] 1 1.584 3 3 0 -3.03530356945737 19604 CCOC(=O)NNC1=NN=CC2=CC=CC=C21.Cl Cl- 1 1.157 4 2 0 -0.404556483675773 19495 C1=CC(=CC=C1NN=C(C#N)C#N)[N+](=O)[O-] 1 1.699 5 2 0 -3.70786445178844 19405 C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)N 1 2.586 1 1 2.31597689607875 19379 CN(C)CCOC(=O)COC1=CC=C(C=C1)Cl.Cl Cl- 1 2.323 1 3 -2.66314032564344 19337 CN1CCC(C1)C2=CNC3=CC=CC=C32 1 2.426 2 0 4.20048582679183 19318 CCNC1=CC=C(C=C1)[N+](=O)[O-] 1 1.881 2 2 0 -4.61313448457568 19196 CC1=NC(=NC(=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.141 3 0 3.19260639899751 19103 C1=CC2=C(C=CC(=C2N=C1)O)N=O 1 2.02 2 2 5.37215080257985 18986 COC1=CC2=C(C=C1)NC=C2CC(=O)O 1 1.771 1 3 0 -2.65672953066647 18774 CC1=CC(=NN1)C2=CC=CC=C2 1 2.366 2 0 1.71005482944223 18617 C(#N)C(Br)Br 1 1.662 1 0 0 -0.70268891601412 18469 COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC=C3OC)CCC(=O)O 1 4.474 1 4 -6.55692183222429 18370 CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] 1 1.84 1 4 0 -5.93625926713313 18357 C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)N 1 2.176 1 1 3.10250691274482 18208 C1=C(NC=N1)[N+](=O)[O-] 1 -0.264 3 2 0 1.11207425274905 18069 C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)N)Cl 1 3.816 1 1 3.18334889818706 17893 C1=CC(=CC=C1C(=O)O)N=NC2=C(N=C(N=C2N)N)N 1 1.409 7 2 0 2.70393914175902 17848 CC1=CC=CC(=C1)C(=O)C2=CC(=CC=C2)C 1 4.206 0 1 -1.24454257303698 17818 CC1=C(C=C(C=C1)N)O 1 1.327 1 1 0 4.08858944016235 17732 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)O 1 1.863 2 3 0 -3.03028156132186 17709 C1=CC=C(C=C1)OC2=CC=CC=C2NC=O 1 2.431 1 2 -0.589202761430732 17561 C1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.123 2 2 -3.68455199424179 17536 CC(C)([C@@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O 1 1.719 0 6 0 -6.01087052835249 17520 C1=CC=C2C(=C1)C(=O)NS2 1 1.375 1 1 0 -1.24030085521865 17471 CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C 1 2.869 0 3 -2.0307932280129 17355 CC(=O)CCC1=CC=CC=C1 1 2.051 0 1 -4.95949428885208 17335 CC1=CC2=C(C=C1)N=C(S2)N 1 2.195 2 0 5.03835211798386 17229 CC(=NNC(=O)N)C1=CC=CC=C1 1 0.789 3 1 0 -7.68048932635467 17210 C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O 1 3.532 2 3 -0.210224479158982 17201 C1=CC(=CC(=C1)OC2=CC=C(C=C2)N)OC3=CC=C(C=C3)N 1 3.457 2 2 4.3451795016355 17174 CC(=O)N1C=CN=C1 1 -0.293 2 1 0 -1.97156332070413 17134 COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N 1 0.837 4 4 0 -3.82346700180259 17113 CC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2 1 3.416 3 1 2.05034585200667 17076 CCN(CC)C(=O)CC1=CC=CC=C1 1 1.976 1 1 0 -8.8345054006346 16955 CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=C(C=C3)N(CC)CC.[Cl-] Cl- 1 7.016 3 0 -3.93937616671729 16834 C1CCOC(C1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4 1 2.157 5 1 -5.73138803745669 16803 C1=CC=C2C(=C1)N=C(O2)C3=CN=CC=C3 1 2.13 2 1 7.90585458557395 16679 C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=O 1 3.39 0 1 1.18452844066142 16653 CCSC(=O)N1CCCCCC1 1 2.503 1 1 -5.14423915872661 16574 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)C=N2)OC(=O)C)OC(=O)C 1 -1.295 3 9 0 -24.7127470702083 16559 C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O 1 2.164 2 2 -11.8611997281548 16547 CC(=O)C1=C(C(=C(C=C1O)O)C(=O)C)O 1 0.583 0 5 0 0.564283313258643 16543 C1=CC=C2C(=C1)C3=CC=CC=C3C2=NO 1 2.989 1 1 0.520634752478146 16484 COC1=CC=C(C=C1)C2=CC=C(C=C2)OC 1 3.315 0 2 3.28759589354602 16475 C1=CC(=C(C=C1C2=CC(=C(C=C2)N)C(=O)O)C(=O)O)N 1 1.114 2 4 0 2.25704804785971 16434 C1CCN(C1)CC#CC2(C3=CC=CC=C3C4=CC=CC=C42)O 1 3.572 1 1 2.20284234956779 16363 C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F 1 3.04 3 2 -3.27738468341833 16329 C1=CC=C(C=C1)C2=CC=CC=C2Br 1 4.096 0 0 4.08140096209562 16179 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3O2 1 3.315 1 1 -0.207905087315406 16175 CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C(=O)OC 1 2.467 2 3 -10.2344022649175 16124 C(P(=O)(O)O)P(=O)(O)O 1 -1.365 0 6 0 -1.73765579862857 16097 CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O 1 1.84 1 4 0 -3.86165396822559 16088 C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC=CC=C3 1 3.669 5 0 -1.26410492609703 16054 C1=CC2=C(C=CN2)C=C1O 1 1.881 1 1 0 2.67411068309525 16004 C1=CC(=NC(=C1)Cl)C(Cl)(Cl)Cl 1 3.513 1 0 -0.975813613180605 15962 C1=CC=C(C=C1)C2=NC(=O)N=C(N2)C3=CC=CC=C3 1 3.197 3 1 -2.71060848367843 15882 COC1=CC=CC=C1OCC(=O)O 1 1.278 0 4 0 -8.83818076074078 15818 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O 1 3.487 0 2 -7.97042281085397 15807 CCC1=NC2=CC=CC=C2N1 1 2.273 2 0 0.739377100819827 15806 C1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)O 1 1.713 1 2 0 -4.51275281854415 15799 C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3OC2=O 1 3.264 0 3 -7.14386175010151 15781 CCC(=O)C1=CC(=C(C=C1)OC)OC 1 2.203 0 3 -8.87036583934171 15752 C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)[N+](=O)[O-] 1 1.62 3 4 0 -0.196503395900164 15730 CCCCCCCCC1=CC=C(C=C1)O 1 5.267 0 1 2.24129548334316 15685 CCOC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-] 1 1.177 2 4 0 -7.3791812773365 15680 CC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)C 1 3.809 0 1 1.561419711521 15674 CC1=NC(=O)C2=CC=CC=C2N1 1 0.829 2 1 0 -4.16403856790612 15630 COC1=CC2=C(C=C1)N=C(S2)N 1 1.692 2 1 0 2.46329464621529 15629 CN(C(=O)NC1=CC=C(C=C1)Cl)OC 1 1.662 2 2 0 4.64495276448118e-002 15548 CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC 1 3.846 1 4 -12.3854432741797 15546 C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl 1 0.649 3 1 0 0.402399011142981 15478 C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O 1 2.276 0 5 -4.11178764939311 15443 C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3 1 3.368 3 1 2.13073064081155 15376 CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O 1 3.546 2 3 1.75994713213332 15163 CC1=CNC(=C1C(=O)C)C 1 1.295 1 1 0 -2.58418049639143 15139 COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F 1 3.963 2 2 1.04846440604051 15075 C1=CC=C(C(=C1)C2=CC=CC=C2N)N 1 1.855 2 0 0 0.107109604903145 15032 CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C#N 1 3.058 1 2 -18.6174300436941 14987 CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CO 1 1.902 2 1 0 3.78027247409431 14968 CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C(C(=C4C3=C(C(=CC(C(C(C(C(C(C(C1O)C)O)C(=O)OC)O)C)O)(C)O)C)OCO4)C)O)C2=O)OC(=O)C)C)C 1 0.923 1 14 0 -11.6556606930413 14709 CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C 1 3.717 0 3 -25.7324842873238 14659 C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)N)C3=CC=CC=C3 1 1.613 3 2 0 -4.08525300556217 14623 C1=CC=C2C=C(C=CC2=C1)N=C(N)N=C(N)N 1 0.891 5 0 0 3.83657057171588 14610 C1C2=C(C=CC(=C2)N)C3=C1C=C(C=C3)[N+](=O)[O-] 1 2.64 2 2 2.62566678784597 14604 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O 1 1.274 1 4 0 -11.568855502962 14569 CC1=CC(=CC=C1)NC2=CC=CC=C2 1 3.866 1 0 4.40397696181265 14566 COC(=O)CNC(=O)C1=CC=CC=C1 1 0.745 1 3 0 -12.5746595976701 14547 C1=CC=NC(=C1)NC2=CC=CC=N2 1 2.157 3 0 1.98029197188957 14512 C1=C(N=CNC1=O)O 1 -0.387 2 2 0 -3.79031959906281 14446 C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O 1 1.687 0 12 0 -0.264650888398122 14399 CC(=O)NC(CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)O 1 2.388 2 3 -17.3472877653124 14390 CN(C)CCCC1(C2=CC=CC=C2CCC3=CC=CC=C31)O 1 4.075 1 1 1.31536710645065 14369 C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)Br 1 3.567 0 2 -2.61462477227433 14358 C1=CC=C(C(=C1)N)SSC2=CC=CC=C2N 1 3.045 2 0 -0.913217059326752 14296 CC1=C(N=C(C(=N1)C)C)C 1 0.659 2 0 0 0.12880175111444 14286 CC(=O)C1=CC=CC=N1 1 0.847 1 1 0 -4.5356578607702 14219 CN(C)C(=N)N=C(N)N.Cl Cl- 1 -1.388 5 0 0 -1.51058763903302 14169 CN(C)CCCNC1=C2C=CC=CC2=NC3=CC=CC=C31 1 3.363 3 0 4.63016168296615 14161 C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl 1 3.216 1 2 5.95086368975925 14129 C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-] 1 2.548 2 2 -1.59732954846393 14122 CCOP(=O)(CC1=CC=CC=C1)OCC 1 1.776 0 3 0 -3.53057860990338 13918 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2Cl 1 3.279 1 1 -4.91772588872728 13765 CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CCCC[C@H]34)C)O 1 4.997 0 1 -4.4778906510435 13764 C1=CC(=CC=C1C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])O 1 1.855 3 5 0 -2.4890197008462 13756 C1C(=O)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)Cl 1 2.033 2 2 -1.19974475979656 13712 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O 1 -1.685 2 5 0 -12.5806070441077 13698 C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2 1 3.933 1 0 8.78289561133165 13659 CC1(C2CCC1(C[N+](C2)(C)C)C)C.[I-] I- 1 0.881 1 0 0 -0.996907825948853 13624 C1=CC=C2C(=C1)NC(=N2)N 1 1.14 3 0 0 1.15420519204753 13594 C1CC=CC(=O)C1 1 1.291 0 1 0 -4.4158754862611 13551 CC(C)OS(=O)(=O)C 1 0.351 0 3 0 -4.8825288718681 13451 C1CCC(CC1)NC(=O)NC2=CC=CC=C2 1 2.804 2 1 -6.66601769282746 13450 CCNC1=NC(=NC(=N1)SC)NC(C)(C)C 1 2.003 5 0 -7.82063936031068 13436 C1=CC=C(C=C1)SSC2=CC=CC=C2 1 4.539 0 0 1.79329507457923 13428 C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-] 1 4.382 1 2 3.00176618237624 13399 C1=CC=C2C(=C1)C(=NN2)N 1 1.266 3 0 0 -2.30053221404473 13356 C(C#N)C(=C(C#N)C#N)N 1 -0.786 4 0 0 -6.14367572541277 13283 CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C)N 1 3.283 2 0 1.114225722668 13271 C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.274 2 2 -0.428094699241236 13205 CC1=C(C=CC=C1N)N 1 0.822 2 0 0 0.943174687481862 13195 CC1=CN=CN1 1 -0.138 2 0 0 1.80312269156773 13165 C=CC(=O)OCCO 1 0.179 0 3 0 -3.72203443353067 13099 COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC 1 3.059 0 4 -0.703290967201891 13067 CCOC(=O)CC1=CNC2=CC=CC=C21 1 2.362 1 2 -6.44341937412871 12914 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2 1 2.818 1 3 -8.99587268773476 12897 CCC1(C(=O)N(C(=O)N(C1=O)C)C)C2=CC=CC=C2 1 1.732 2 3 0 -6.21331104610598 12888 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3 1 3.054 2 1 2.36656819327903 12884 C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C2=O 1 2.452 1 2 0.2859124364886 12870 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)N 1 3.152 1 1 3.74641946843703 12855 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 1 3.27 2 0 5.79692228934255 12749 CC1=NC=CN1 1 -2.3e-002 2 0 0 -2.01568310230523 12748 CC1=CSC=N1 1 0.568 1 0 0 -0.606707145547206 12612 C1=CC(=CC=C1NC(=O)N)F 1 0.945 2 1 0 -1.16017586824878 12599 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COP(=O)(O)O)O 1 -1.186 5 6 0 -7.21482128961535 12589 CCCCCC[N+](=O)[O-] 1 2.532 1 2 -2.17490761971441 12560 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O 1 1.792 1 13 0 -10.0321268495141 12543 CC1=CC=C(C=C1)S(=O)(=O)NC 1 1.227 1 2 0 -6.24011674477832 12498 CC(C)N=C(N)N=C(N)NC1=CC=C(C=C1)Cl.Cl Cl- 1 1.58 5 0 0 0.217398978244928 12492 C[C@@H]1CCC[C@@H](N1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C 1 1.793 3 3 0 -12.4444892374561 12456 COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-] Cl- 1 3.962 1 4 1.99694294258464 12443 C12=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OC2=O 1 4.297 0 3 -1.45218590640743 12329 COC(=O)CCCCC(=O)OC 1 1.004 0 4 0 -9.86909355629982 12262 CC(CC(C)O)O 1 -8.e-002 0 2 0 -0.718475853846437 12252 C(CO)[N+](=O)[O-] 1 -0.249 1 3 0 -0.584055599479609 12138 C1=CC(=CC=C1CCC2=CC=C(C=C2)N)N 1 2.767 2 0 0.971633768602978 12127 COC1=C(C=C(C=C1)C=O)O 1 1.33 0 3 0 0.245917021268503 12117 CC(=NC1=CC=CC=C1)NC2=CC=CC=C2 1 2.787 2 0 0.630662795516314 12109 CC1=CC=C(C=C1)NC2=CC=CC=C2 1 3.866 1 0 2.07775315102971 12107 CCC(=O)NC1=CC=CC=C1 1 1.617 1 1 0 -3.85282159045994 12088 C1=CC(=CC=C1C=O)C(=O)O 1 1.219 0 3 0 -5.05014698474756 12086 CCC1=CC=C(C=C1)C(=O)O 1 2.402 0 2 -1.79537035558596 12004 C1=CC(=C(C=C1Br)Br)N 1 2.58 1 0 3.93682963735858 11989 CSC1=NC2=CC=CC=C2S1 1 2.997 1 0 0.428772643310334 11942 CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C 1 1.589 2 2 0 -1.79007769460768 11913 CC1=C2C=CC=CC2=NC3=CC=CC=C13 1 3.839 1 0 4.65480918684513 11893 CCC(C)C1C(=O)C(=C(N1)O)C(=O)C 1 1.114 1 3 0 -6.78575479584493 11886 CC1=CC=CC2=CC3=CC=CC=C3N=C12 1 3.839 1 0 2.58064811872757 11852 C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)O 1 5.33 0 1 3.16478363707859 11829 C1=CC2=C(C=CC=N2)C(=C1)[N+](=O)[O-] 1 1.91 2 2 0 -0.164594372131551 11746 C(C(C(=O)O)Br)Br 1 1.417 0 2 0 -3.1620944888586 11741 C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N)N 1 1.439 2 2 0 -6.05137396484723 11693 C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-] Br- 1 1.457 1 3 0 -5.92822781610413 11684 CCC(C)(C)C(=O)O 1 1.797 0 2 0 -3.395220493904 11545 C[N+](C)(C)CC(=O)O.[Cl-] Cl- 1 -1.554 1 2 0 -6.35129041106786 11503 CNCCC1=CC=CC=C1 1 1.688 1 0 0 -0.267753222132683 11487 C1=CC=C(C=C1)NC2=CC=CC=C2 1 3.38 1 0 1.41381430882381 11394 CC(=O)NC1=CC2=CC=CC=C2C=C1 1 1.858 1 1 0 -1.69162428786426 11378 C1=CNC2=CC(=O)C=CC2=C1 1 0.163 1 1 0 -3.45004017688528 11373 C1=CC2=C(C=CC(=C2)N)N=C1 1 1.269 2 0 0 3.5149180699724 11371 C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2C(=O)O 1 2.639 1 4 -1.08767042410211 11352 C1=CC=C2C(=C1)C=C3C(=N2)C=CC=C3N 1 2.606 2 0 4.88497052514961 11332 C1=CC(=C(C(=C1)Cl)OCC(=O)O)Cl 1 2.623 0 3 -4.66922905860239 11316 C1=CC=C2C(=C1)C=CC(=C2Br)O 1 3.244 0 1 6.97221709890854 11302 C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C 1 3.301 0 2 -10.9003254730148 11289 COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC 1 5.614 0 3 0.678862418602337 11276 CC(=O)OCC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C 1 3.331 0 4 -21.0138515964609 11257 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N 1 1.306 2 3 0 -9.65658545190856 11236 C(=O)(N)NN.Cl Cl- 1 -1.534 3 1 0 -2.84584104741277 11164 C1C(O1)CO 1 -0.642 0 2 0 -0.953944003887282 11107 C1=CN=CC=C1C2=CC=NC=C2 1 1.047 2 0 0 3.04336867724781 11106 CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1N 1 2.961 4 0 1.19515078878589 11102 CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2.[Br-] Br- 1 7.268 4 1 -2.42701137698691 11100 C1=COC(=C1)C(C(=O)C2=CC=CO2)O 1 1.407 0 4 0 -4.57157439997535 11095 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O 1 2.131 0 6 6.40515428962296 11078 CCCOC1=C(C=CC(=C1)N)C(=O)OCCN(CC)CC.Cl Cl- 1 2.631 2 3 -0.387514215753854 11005 CCCCCCCCCCCCCC(=O)O 1 5.48 0 2 -8.10157839455979 10932 CC(CC(=O)O)N 1 -3.02 1 2 0 -6.31657967859425 10867 C1=CC=C(C=C1)CSCC2=CC=CC=C2 1 3.962 0 0 -3.59706973874424 10855 C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N 1 2.706 4 0 5.62947704156515 10853 C1=CC=C(C=C1)CNC(=O)N 1 0.747 2 1 0 -5.64737739943121 10832 C1=CC=C(C=C1)NC2=NC=NC(=N2)N 1 1.154 5 0 0 4.08882965379239e-002 10830 C1CCN(CC1)CC(COC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3.Cl Cl- 1 4.09 3 4 0 -2.51869665264369 10829 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)OC 1 3.363 0 7 0 -3.79171701141272 10816 C1=CC(=CC=C1C(=O)NN)Cl 1 1.004 2 1 0 -1.79255671512177 10788 CN1CN(C(=S)SC1)C 1 2.126 2 0 -3.2423582811393 10766 CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1.Cl Cl- 1 2.93 1 2 -4.01526640561463 10752 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O 1 1.489 0 4 0 -7.71436306706259 10745 CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)O 1 2.659 0 6 -3.43801489351705 10737 CN(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 1 3.396 1 1 -4.35024806172562 10722 CC1=CC=CC=C1C=O 1 2.075 0 1 0.482109507402018 10685 C1=CC=C2C(=C1)C(=CN2)CCO 1 1.84 1 1 0 0.347108473587321 10680 C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 1 3.136 0 2 1.99041259316353 10667 C1=CC=C2C(=C1)C=CC(=O)C2=O 1 1.748 0 2 0 1.13988418406885 10666 CN1C=CC(=C(C1=O)C#N)OC 1 -0.591 2 2 0 -3.99719117308274 10635 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C 1 3.301 0 2 -10.9003254730148 10633 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C 1 3.506 0 2 -8.16083467502106 10623 CC1=CC(=O)C(=C(O1)O)C(=O)C 1 0.445 0 4 0 -3.10153344925387 10621 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O 1 -0.431 0 15 0 -10.7454948002137 10603 C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O 1 1.691 0 6 0 3.34641288535936 10494 C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O 1 6.447 0 3 -1.72046832358004 10367 C1=CC(=NC(=C1)C(=O)O)C(=O)O 1 0.795 1 4 0 -4.30282666609334 10365 C1=CN=C(C=C1C(=O)O)C(=O)O 1 0.367 1 4 0 -4.92343011656935 10309 C1=COC(=C1)C=NC(C2=CC=CO2)N=CC3=CC=CO3 1 3.492 2 3 -1.43610442656992 10255 CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O 1 -2.514 1 4 0 -7.28661996090414 10242 C1CN2C(=NC3=CC=CC=C3C2=O)C1O 1 0.379 2 2 0 -6.17483516068241 10237 CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3 1 2.829 1 6 0 -4.95236064360005 10235 C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2 1 -0.338 2 1 0 -4.50825927484022 10227 COC1=C(C=C2C(=C1)C(=C3C=COC3=N2)OC)OC 1 2.469 1 4 -1.23939370985832 10212 CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C 1 3.652 0 4 -6.47973655063108 10211 CC(C)([C@@H](COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O 1 1.702 0 7 0 -6.42766777272986 10208 CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O 1 2.81 0 4 6.85086452778032 10207 C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O 1 1.719 0 5 0 5.53564624307619 10206 CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3 1 7.019 2 6 0 -3.21324223752955 10187 C1=CC2=CC3=C(C(=CC=C3)O)C(=C2C(=C1)O)O 1 2.92 0 3 5.57069705874735 10168 C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)C(=O)O)O 1 1.954 0 6 0 2.79706842605148 10156 CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)OC)OC 1 1.818 1 6 0 -8.34505688316935 10154 CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O 1 3.083 1 4 1.01308708796594 10145 CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC 1 3.534 1 4 -5.5285191693941 10143 CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC 1 3.308 1 4 -2.02204409189157 10140 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C 1 1.972 1 6 0 -25.2196780843953 10133 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 1 4.014 0 4 -22.722823756648 10006 C1C(=O)NC(=O)N1 1 -1.161 2 2 0 -7.57037208927536 9958 CC1=CC(=C(C=C1)O)O 1 1.832 0 2 0 6.88667340892589 9924 C1=CC=C(C=C1)C(C(=NO)C2=CC=CC=C2)O 1 2.684 1 2 -2.15116379755291 9918 CNCCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31 1 3.791 1 0 1.14359644857704 9903 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C 1 5.184 0 3 -26.4743779337634 9714 C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C(F)(F)F 1 2.197 5 0 -0.778985468797156 9703 CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl Cl- 1 0.738 3 1 0 -13.1244655020804 9679 C1=NC(=C(N1)C(=O)N)N 1 -1.197 4 1 0 -3.07807992208893 9642 CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)OC(O2)(C)C 1 1.374 0 7 0 -2.44929658307048 9581 C[C@@H]([C@H](C1=CC=CC=C1)O)NC.Cl Cl- 1 1.234 1 1 0 -2.84445466768499 9516 CN(C)C1=CC=C(C=C1)N=NC2=CC(=CC=C2)F 1 4.567 3 0 6.02377041404595 9498 C1CCC(=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C1 1 1.846 3 3 0 -10.2535724234053 9415 C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O 1 -1.5e-002 1 6 0 1.14452654719171 9365 C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2 1 2.397 5 2 0 -15.3544873345593 9340 C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 3.601 2 0 -4.73336659258342 9305 C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N 1 -0.691 1 3 0 -1.08974337911356 9301 CN1CCC=C(C1)C(=O)OC.Br Br- 1 0.743 1 2 0 -4.55709386942196 9270 CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C#C)OC(=O)C)C 1 4.973 0 4 -10.8931806707544 9217 C1=CC=C2C(=C1)OC3=CC=CC=C3S2 1 3.678 0 1 0.124604467290974 9212 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2 1 3.536 1 0 -1.48531005894487 9154 C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4 1 3.945 0 0 1.57166203601705 9082 C(CS)N.Cl Cl- 1 -0.216 1 0 0 -0.682504864022911 9060 C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)N 1 -1.312 2 2 0 -5.38495459221149 9051 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2C=CC4=CC(=O)CC[C@@]34C)C 1 3.415 0 2 -14.769568925897 9050 CC12CCC(=O)C=C1CCC3C2CCC4(C3CC[C@@]4(C(=O)CO)O)C 1 2.452 0 4 -13.5568283977354 9047 COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N 1 0.331 4 3 0 -6.99669349999865 9013 CCOC1=CC=C(C=C1)NC(=O)N 1 1.072 2 2 0 -3.0512422545662 8981 CC1=CC(NC2=CC=CC=C12)(C)C 1 2.888 1 0 -3.02202284775112 8975 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(N=C2N)F 1 -1.312 5 4 0 -11.3351166730838 8969 COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O 1 2.822 2 3 -5.07157897763951 8956 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O 1 4.046 0 2 -25.2486124136919 8955 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C 1 3.624 0 2 -21.0016481268398 8815 COC1=CC=C(C=C1)CC=C 1 2.821 0 1 -1.50110553488501 8796 C1=CC(=CC=C1NC(=O)N)Cl 1 1.404 2 1 0 -5.0054203127216e-002 8795 C1CN(CCN1)CCN 1 -1.088 3 0 0 -4.69199585939911 8773 C(CN(CC(=O)O)CC(=O)O)N(CCO)CC(=O)O 1 -7.706 2 7 0 -3.24962709942288 8758 C(C(=O)O)N(CC(=O)O)CC(=O)O 1 -4.271 1 6 0 -4.14956076893214 8743 C1=C(NC(=CC1=O)C(=O)O)C(=O)O 1 -0.931 1 5 0 -3.26822361441434 8739 C1=CC(=CC=C1C(=O)O)S(=O)(=O)N 1 0.164 1 4 0 -7.22632825364679 8737 C(CC(=O)O)C(C(=O)O)N.Cl Cl- 1 -3.459 1 4 0 -10.3335519356365 8732 CCCC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2C.Cl.[Cl-] Cl- Cl- 1 2.256 4 0 -2.43655149869933 8695 CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.Cl Cl- 1 2.961 2 2 -6.9051386630011 8694 CCN(CC)CCOC(=O)C1=CC=C(C=C1)OCC.Cl Cl- 1 2.854 1 3 -4.19882923532622 8660 C1=CC=C(C(=C1)C(=O)O)SCC(=O)O 1 1.483 0 4 0 -9.99780087399664 8646 C12=NNNC1=NC(=NC2=O)N 1 -1.327 6 1 0 -4.62582995664549 8630 C1=C(C=C(C(=C1N)Cl)C(=O)O)Cl 1 2.042 1 2 1.24150855748001 8616 CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC 1 3.461 0 4 -4.63449764042119 8549 COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O 1 2.733 2 2 1.87647733675528 8554 COC(=O)C1=CC=CC=C1C(=O)OC 1 1.54 0 4 0 -5.62666569601105 8559 CCCOC(=O)C1=CC=CC=C1C(=O)OCCC 1 3.285 0 4 -6.05816518153144 8562 C1=CC=C(C=C1)N=NC2=CC=C(C3=CC=CC=C32)N 1 4.361 3 0 7.52077007958266 8569 COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O 1 2.733 0 4 4.22427513182783 8570 COC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O)O 1 2.717 0 5 3.12753282327086 8572 C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O 1 2.75 0 3 3.59894990496723 8530 C1=CC=C2C(=O)C=CC(=O)C2=C1 1 1.757 0 2 0 -0.159769518712345 8520 CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 4.192 1 2 -4.55244151896085 8515 C1=CC=C2C(=C1)C3=NNC4=CC=CC(=C43)C2=O 1 2.994 2 1 4.15159475157774 8507 CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+] Na+ 1 0.333 2 6 0 -7.74747568135244 8496 C1=CC(=CC(=C1)C(=O)O)C(=O)O 1 1.089 0 4 0 -3.56236113173705 8486 C1=C(SC(=N1)N)[N+](=O)[O-] 1 9.9e-002 3 2 0 2.11537724433013 8480 C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O 1 0.384 2 4 0 -2.42163128987259 8478 CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-] Cl- 1 4.82 1 2 -9.26007952788225 8468 COC1=C(C=CC(=C1)C(=O)O)O 1 1.201 0 4 0 -0.800480984706192 8456 CC(C)(C)C1=C(C=CC(=C1)OC)O 1 2.972 0 2 5.26365057885637 8421 COC1=C(C=C(C=C1)CCN)OC 1 1.224 1 2 0 -4.46093448306451 8411 COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N 1 1.822 2 2 0 3.14149326230307 8409 C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O 1 3.798 0 4 -3.01292948498566 8400 C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O 1 2.616 0 2 -5.20507387076067 8395 CCOC(=O)COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3 1 3.175 0 5 -7.38203292310525 8373 CC1=CC=CC=C1C(=O)O 1 1.946 0 2 0 -3.5996629310813 8369 CC1=C(C(=O)C=CO1)O 1 -0.222 0 3 0 -2.07548527438984 8341 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N 1 2.061 1 2 3.70793041233672 8333 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O 1 2.989 0 2 -6.60621051966025 8323 C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)N 1 1.819 1 3 0 6.31339290270959 8321 COC1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3C2=O 1 2.045 1 3 1.20392932418819 8314 CCC(C)C(=O)O 1 1.381 0 2 0 -6.19789890406079 8266 C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O 1 2.493 0 4 -2.05528167864011 8197 C(CNCCNCCNCCN)N 1 -2.669 5 0 0 -1.06195076539139 8158 CCCCCCCCC(=O)O 1 3.199 0 2 -8.10157839455979 8147 C(CCl)OCOCCCl 1 1.232 0 2 0 -2.46962922754058 8133 CCCCOCCO 1 0.839 0 2 0 -2.83601289823732 8117 C(COCCO)O 1 -1.029 0 3 0 -0.914013884545889 8113 C(CO)NCCO 1 -1.295 1 2 0 1.84574715544508 8103 CCCCCCO 1 1.883 0 1 0 -1.62171114336535e-002 8096 C(CSCCC(=O)O)C(=O)O 1 0.254 0 4 0 -7.91132190787552 8069 CCCC=NO 1 1.007 1 1 0 0.167679605256833 8064 C(CCO)CO 1 -0.256 0 2 0 0.728511535167147 8041 C=CC(=O)NCNC(=O)C=C 1 -5.7e-002 2 2 0 -5.11508629670286 8035 CC(=O)CCC(=O)C 1 -0.159 0 2 0 -5.69368475807108 8031 CC(C)(CCC(C)(C)O)O 1 0.909 0 2 0 -3.0651628894984 7991 CCCCC(=O)O 1 1.374 0 2 0 -7.40184056737656 7977 C1=CC=NC(=C1)Cl 1 1.552 1 0 0 -1.29719598959376 7970 CC1=CN=CC=C1 1 1.165 1 0 0 0.20669763584049 7967 C1CCC(=O)CC1 1 1.314 0 1 0 -2.22442462310531 7966 C1CCC(CC1)O 1 1.5 0 1 0 -0.479858484011182 7961 C1=CC=C(C=C1)Br 1 2.578 0 0 1.3991709515753 7833 C1CC2C(O2)CC1C3CO3 1 0.649 0 2 0 -1.00414152197755 7771 CC1=CC(=C(C=C1)O)C 1 2.56 0 1 5.53534889470609 7747 COC(=O)CC#N 1 8.e-002 1 2 0 -8.50429368339858 7745 CCCC(C)CO 1 1.746 0 1 0 -2.15720758467291 7699 CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC 1 1.644 1 11 0 -11.4981060493131 7666 C1=CC=C(C=C1)CCBr 1 2.895 0 0 2.48706235130523 7641 CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC 1 7.037 0 4 -11.3955237195717 7619 C1COCCN1SC2=NC3=CC=CC=C3S2 1 2.399 2 1 -1.30285402635364 7610 CC1=C(C=CC(=C1)OC)N 1 1.553 1 1 0 2.62607442620497 7578 C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl 1 3.308 1 1 6.34889111245939 7573 CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2 1 3.915 2 0 -3.25708632761417 7571 COC1=CC=C(C=C1)NC2=CC=C(C=C2)OC 1 3.347 1 2 1.15750223805302 7566 C1=CC(=CC=C1N)SC2=CC=C(C=C2)[N+](=O)[O-] 1 3.096 2 2 1.74854446985166 7564 C1=CC=C(C=C1)NC2=CC=C(C=C2)N 1 2.633 2 0 2.77576102338097 7560 CN(C)C(=O)NC1=CC=CC=C1 1 1.152 2 1 0 -2.5087779143571 7546 C1=CC=C(C=C1)NC2=CC(=CC=C2)O 1 3.138 1 1 5.04809424296515 7526 C1CCN(CC1)N=O 1 1.008 2 1 0 -0.942726754289886 7497 CCN(CC)CCO 1 0.478 1 1 0 1.26542804121979 7487 CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 1.464 1 3 0 -5.3996848212207 7474 C1=CC(=CC=C1[N+](=O)[O-])Cl 1 2.388 1 2 1.04422264176905 7473 CC1=CC=C(C=C1)[N+](=O)[O-] 1 2.21 1 2 -0.777776048817764 7456 COC(=O)C1=CC=C(C=C1)O 1 1.443 0 3 0 -0.795907157299722 7441 CC1=C(C=CC(=C1)[N+](=O)[O-])N 1 1.464 2 2 0 1.02057003989926 7430 C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-] 1 2.306 2 2 4.10318491464159e-003 7428 COC(=O)C1=CC(=C(C(=C1)O)O)O 1 0.959 0 5 0 1.58606647844863 7423 C1=CC(=CC(=C1)[N+](=O)[O-])N 1 0.977 2 2 0 -1.68595605788257e-002 7422 CC1=CC(=CC=C1)[N+](=O)[O-] 1 2.21 1 2 4.80534023694833e-002 7421 CN(C)C1=CC(=CC=C1)O 1 1.75 1 1 0 0.822450790590947 7407 CC(=C)C1=CC=CC=C1 1 2.828 0 0 -1.89545207344789 7381 CC(C)(C)C1=CC(=C(C=C1)O)O 1 2.746 0 2 8.43274960287045 7367 C1=CC=C(C=C1)C(Cl)(Cl)Cl 1 3.362 0 0 1.82629393734161 7352 CC(C)COC(=O)C(=C)C 1 2.356 0 2 -5.72409484429238 7337 COC1=C(C=CC(=C1)[N+](=O)[O-])N 1 0.961 2 3 0 -1.08565773821461 7333 CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N 1 3.549 3 0 -1.17976452840332 7319 CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] 1 1.84 1 4 0 -5.20351992629953 7298 C1CCC(C1)O 1 1.044 0 1 0 -0.125389969843102 7290 C(C(CCl)O)O 1 -0.204 0 2 0 -0.785023053136116 7280 C(C(CBr)Br)Cl 1 2.494 0 0 1.31237676394317 7270 C1=C(C(=CC(=C1Cl)Cl)Cl)Cl 1 4.487 0 0 1.95628504376575 7261 CC1=C(C=C(C=C1)N)N 1 0.822 2 0 0 2.22534940818191 7257 C1=CC(=C(C=C1N)Cl)Cl 1 2.412 1 0 4.5590672290223 7226 C1=CC2=C(C=C1Cl)SC(=N2)N 1 2.373 2 0 6.6199425036721 7222 C1=CC=C2C(=C1)N=CS2 1 1.913 1 0 0 -1.16933875424673 7216 CCN(CC)C(=S)SCC(=C)Cl 1 3.887 1 0 -5.65120074947891 7213 C1=CC(=C(C=C1O)O)C=O 1 1.105 0 3 0 4.00320035479317 7206 CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl 1 4.178 0 3 -5.55851097668456 7187 C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2 1 2.793 0 4 -2.54503381901766 7181 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N 1 0.972 4 2 0 -9.18317222127962 7175 CCCOC(=O)C1=CC=C(C=C1)O 1 2.315 0 3 -2.10912978698415 7153 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O 1 2.929 0 3 -2.92154493160164 7135 CC(=O)NC1=CC=CC=C1OC 1 0.934 1 2 0 -7.6272849084557 7113 CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 3.088 0 1 -0.142390631865778 7101 C1=CC=C(C=C1)C2=CC=C(C=C2)Br 1 4.096 0 0 5.25630714893626 7098 CCN(CC1=CC=CC=C1)C2=CC=CC=C2 1 3.924 1 0 -2.18343445652398 7087 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N 1 3.578 2 0 10.8705180925971 7085 CN(C)C1=CC2=C(C=C1)C=C3C=CC(=[N+](C)C)C=C3O2.[Cl-] Cl- 1 2.717 2 1 -0.962443073989847 7080 C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1 1 4.555 0 0 1.85299636457984 7079 COC1=CC=CC=C1NC(=O)CC(=O)C2=CC=CC=C2 1 2.518 1 3 -6.50558615119461 7054 C1=CC=C2C(=C1)C(=O)C(=O)N2 1 0.67 1 2 0 -3.37124701310623 7050 CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C 1 3.205 1 2 -5.83096425844592 7044 C1CCC2CCCCC2C1 1 3.781 0 0 0.414389386525069 7038 C1=CC=C(C=C1)C(=O)C2=CC=CC=N2 1 2.512 1 1 -3.55555544253983 7031 CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C 1 3.558 2 1 -4.1985286171762 6989 CC1=CC(=C(C=C1)C(C)C)O 1 3.268 0 1 4.26763921377126 6984 CCC(C)C1=CC=CC=C1O 1 3.238 0 1 2.07717609430043 6983 C1=C(C(=CC(=C1Cl)Cl)Cl)[N+](=O)[O-] 1 3.717 1 2 -0.742370967577448 6945 C1=CC=C(C(=C1)[N+](=O)[O-])Cl 1 2.388 1 2 -1.46572507417575 6944 CC1=CC=CC=C1[N+](=O)[O-] 1 2.21 1 2 -3.21711479341244 6942 C1=CC=C(C(=C1)C(=O)N)N 1 8.5e-002 2 1 0 -2.06991735522722 6923 CC(C)(C)C1=CC=CC=C1O 1 2.988 0 1 4.16212789662252 6894 CC1=C(C=CC=C1Cl)N 1 2.234 1 0 2.25844399183898 6890 CN(C)CC1=CNC2=CC=CC=C21 1 2.197 2 0 2.11822285835294 6888 CC1=NN(C(=C1)OC(=O)N(C)C)C2=CC=CC=C2 1 2.433 3 2 -3.35307309625574 6872 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2O 1 2.372 1 2 -0.563915943211321 6864 C1=CC=C2C(=C1)C(=O)C=C(N2)O 1 1.652 1 2 0 -2.4507306748258 6862 C1=CC=C2C(=C1)C=CC=C2CC(=O)O 1 2.403 0 2 -1.86722309794546 6854 C1=CC=C2C(=C1)C3=CC=CC=C3N2 1 3.323 1 0 3.698252940322 6839 CN1C(=O)CC(C1=O)C2=CC=CC=C2 1 0.908 1 2 0 -3.3162157990972 6826 CNC1=CC=CC=C1C(=O)OC 1 1.494 1 2 0 -8.97297990491873 6821 CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O 1 2.73 1 3 -4.12075638493285 6796 C1=CC=C2C(=C1)C=CC3=C2C=CC=N3 1 2.924 1 0 3.15261149981664 6777 C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3 1 5.257 0 4 -8.17704474482168 6772 CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O 1 3.75 0 2 2.02252154965511 6769 CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)O[C@@H]2C[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC 1 5.018 2 11 0 -13.4576740110469 6760 COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC 1 2.469 1 4 -0.63339309517213 6758 CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC 1 3.93 0 6 -6.35757663648515 6731 C1=CC=C2C(=C1)C=CC(=N2)C3C(=O)C4=CC=CC=C4C3=O 1 3.434 1 2 -0.330100442218148 6724 C1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2 1 2.198 0 2 3.48052206991298 6716 CC1=CC(=O)C2=C(O1)C=C3C(=C2OC)C=CO3 1 2.189 0 4 -4.01845921924614 6706 CNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O 1 2.617 1 2 -2.13008128475981 6702 CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N 1 2.547 1 2 2.02703178884883 6701 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)O)N 1 1.691 1 4 0 0.172153504954191 6699 C1=CC=C(C=C1)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)OC5=CC=CC=C5 1 5.928 0 4 1.99680037004891 6691 CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O 1 3.292 0 4 -6.29880481303158 6643 CCC(C)(C)C1=CC=C(C=C1)O 1 3.444 0 1 3.33964035147361 6634 C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl 1 1.365 4 2 0 -3.95441243019856 6633 CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2 1 3.085 1 2 -7.05717682856044 6628 CC1=CC=C(C=C1)S(=O)(=O)N(C)N=O 1 1.728 2 3 0 -3.03795660099155 6626 C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O 1 2.448 0 4 -4.2218484209541 6625 C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl 1 4.261 0 2 -4.27972384150642 6623 CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O 1 3.778 0 2 4.19690391743762 6618 CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br 1 6.772 0 2 7.13644884975513 6549 CC(=CCCC(C)(C=C)O)C 1 2.735 0 1 -3.03558528297665 6535 CCOP(=O)(OCC)OCC 1 0.695 0 4 0 -2.66858029517251 6503 C(C(CO)(CO)N)O 1 -2.381 1 3 0 0.886175615201049 6492 C1C=CC2C1C3CC2C=C3 1 2.111 0 0 0.870254103195268 6461 C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-] Br- 1 1.888 1 3 0 -8.23055103762778 6446 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@]4(C)O)C)O)F 1 2.637 0 3 -7.91411806890789 6319 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 4.93 2 0 1.25143420881216 6318 C1=CC(=CC=C1C(=O)O)Cl 1 2.124 0 2 0.266066470779943 6314 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.Cl Cl- 1 2.626 2 1 -8.00722331740074 6307 CCC1NC2=CC(=C(C=C2C(=O)N1)S(=O)(=O)N)Cl 1 0.848 3 3 0 -7.39127317277548 6305 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N 1 -1.312 2 2 0 -5.38495459221149 6303 C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=CN=C3N)CO 1 -1.308 5 3 0 -3.44239683901362 6295 CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl 1 6.301 0 0 0.904765755761266 6292 CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C 1 3.098 2 1 -7.69957936141824 6271 CCC(=O)C1=CC=C(C=C1)O 1 1.994 0 2 0 -2.00392619370619 6269 CC1=CC=C(C=C1)S(=O)(=O)N 1 1.021 1 2 0 -4.35377429530044 6245 C1=CN(C2=C1C(=NC=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 1 -1.103 4 4 0 -10.5855844067413 6231 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4 1 4.088 0 2 -6.92352029174014 6207 C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O 1 -7.947 2 10 0 -5.28027700001747 6199 C1=CC(=O)OC2=CC3=C(C=CO3)C=C21 1 2.203 0 3 -2.39817009987887 6197 C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C 1 0.933 1 4 0 -6.22811812660247 6185 C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O 1 1.339 0 6 0 -3.4785070862508 6175 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O 1 -2.396 3 5 0 -11.8996307849505 6169 COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl Cl- 1 2.822 2 3 -5.07157897763951 6129 CNC(=O)OC1=CC=CC2=CC=CC=C21 1 2.502 1 2 -3.49391940509075 6124 CN(C)N=O 1 9.e-002 2 1 0 -0.321722969572756 6113 CCOS(=O)(=O)C 1 -2.6e-002 0 3 0 -4.86665989186452 6103 C1=CC2=C(C=C1Cl)N=C(O2)N 1 1.815 2 1 0 5.73765640586036 6100 CC[N+](C)(C)CC1=CC=CC=C1Br.CC1=CC=C(C=C1)S(=O)(=O)[O-] Cc1ccc(cc1)S(=O)(=O)O 1 1.646 1 0 0 -1.7975305548087 6099 CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-] Cl- 1 3.042 3 0 -2.05298048335959 6093 C1CN(C(=O)N1)C2=NC=C(S2)[N+](=O)[O-] 1 -1.4e-002 4 3 0 -6.81261299930313 6088 CNCCC1=CNC2=CC=CC=C21 1 1.982 2 0 0 -2.91352768409593 6060 CC(=O)OCC[N+](C)(C)C.[Cl-] Cl- 1 -1.195 1 2 0 -6.58523142127448 6054 C1=CC=C(C=C1)CCO 1 1.546 0 1 0 2.18832839348307 6051 C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N 1 3.452 3 0 6.68406797591417 6048 C1CN=C(N1)CC2=CC=CC=C2.Cl Cl- 1 1.151 2 0 0 -5.57770610744497 6047 C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O 1 -2.089 1 4 0 1.52087067569837 6043 C1=CC=C2C(=C1)NC(=O)O2 1 1.34 1 2 0 -2.50099003300063 6042 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Cl-] Cl- 1 1.048 4 1 0 0.8355021217836 6029 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O 1 -2.451 2 6 0 -17.6195390914106 6024 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O 1 0.407 2 6 0 -16.5704419772778 6021 C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 1 -2.249 4 5 0 -14.1902853603754 6018 CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC 1 3.365 1 3 -11.4114459024148 6009 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C 1 0.989 3 1 0 -7.31373997945436 5995 CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C 1 4.519 0 3 -23.9123384946335 5983 C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C 1 2.35 3 2 -6.25459683819762 5970 C[N+](C)(C)CC(CC(=O)O)O.[Cl-] Cl- 1 -1.816 1 3 0 -8.32247915545229 5963 C[N+](C)(C)CC1=CC=CC=C1.[Cl-] Cl- 1 0.548 1 0 0 -2.97409879680426 5934 CC1=CC(=CC=C1)N=NC2=CC=C(C=C2)N(C)C 1 4.847 3 0 6.74983273674804 5926 C[N+](C)(C)CC#CCOC(=O)NC1=CC(=CC=C1)Cl.[Cl-] Cl- 1 1.632 2 2 0 -2.76621110478901 5923 C1=CC(=C(C=C1C(CN)O)O)O.Cl Cl- 1 -5.9e-002 1 3 0 4.10143848835015 5920 C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)O 1 1.448 1 4 0 -7.13615662809822e-002 5911 C[N+]1(CCN(CC1)C2=CC=CC=C2)C.[I-] I- 1 0.594 2 0 0 0.216809952025805 5905 C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O 1 -1.402 2 5 0 -9.31743555155638 5904 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C 1 1.124 2 4 0 -10.2376820784169 5901 C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O 1 -2.432 3 6 0 -14.7939654976943 5894 C1=C2C(=CC(=C1Cl)Cl)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 1 1.235 2 4 0 -9.74751404018153 5883 CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.[Br-] Br- 1 2.426 1 3 -7.40477194972812 5877 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)O 1 1.891 0 6 0 -3.67441131713861 5853 COP(=O)(C(C(Cl)(Cl)Cl)O)OC 1 0.753 0 4 0 -3.22883885256582 5831 C[N+](C)(C)CCOC(=O)N.[Cl-] Cl- 1 -1.406 2 2 0 -5.66548193500243 5819 C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N 1 2.026 1 4 -0.150848244136102 5804 C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CCC(=O)O)I)I)O 1 5.003 0 4 -0.264357754725388 5803 C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)O 1 4.547 0 4 1.38642070229932 5798 C1=CC=C2C(=C1)NC=N2 1 1.345 2 0 0 -1.04758480017222 5792 C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2)O 1 2.653 2 1 -1.25057160113571 5790 C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)O 1 -1.775 2 5 0 -10.2863453031954 5785 C([C@@H]([C@@H]1C(=O)C(=C(O1)O)O)O)O 1 -1.36 0 6 0 -1.78595607544072 5778 CSC1=NC=NC2=C1NC=N2 1 0.843 4 0 0 -3.36018856622042 5770 CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC 1 4.242 2 9 0 -14.2428428971258 5756 C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O 1 2.871 0 3 -1.59102782428555 5746 CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N 1 -1.547 4 5 0 -6.79864799214144 5745 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O 1 1.619 0 6 0 -13.2189043408144 5722 CCCOC1=CC=CC=C1C2=NC(=O)C3=NNNC3=N2 1 1.403 5 2 0 -5.14323054028634 5719 CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C 1 1.604 5 1 0 -9.86748527190095 5668 CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O 1 3.546 2 3 1.75994713213332 5640 CC1=C(N(C(=O)N(C1=O)C)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC 1 1.872 5 3 0 -4.93579241139719 5614 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N 1 4.574 2 1 1.00769434237519 5610 C1=CC(=CC=C1CCN)O 1 1.015 1 1 0 1.83002056558782 5595 CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43 1 2.608 2 2 -4.28504743801541 5585 CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C 1 3.281 0 3 -1.34266407588348 5576 CC1(C(=O)N(C(=O)O1)C)C 1 0.488 1 3 0 -1.77693902866034 5570 C[N+]1=CC=CC(=C1)C(=O)[O-] 1 -0.41 1 2 0 -3.85499841303025 5546 C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N 1 1.017 7 0 0 1.37320971643855 5541 CC(=O)OCC(COC(=O)C)OC(=O)C 1 -0.271 0 6 0 -2.38790377890929 5533 C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl 1 2.418 5 1 -3.09322303846636 5522 CCCCNC1=C2C=NN(C2=NC(=C1C(=O)OCC)C)CC 1 2.701 4 2 -8.92290895081379 5472 C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl 1 3.893 1 0 -5.66583660722909 5468 CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)O 1 3.606 0 3 -4.15577934042938 5455 CN(C)C(=S)SSC(=S)N(C)C 1 4.204 2 0 -1.99815639948004 5443 C1=CC=C(C(=C1)C(=O)O)S 1 1.819 0 2 0 -2.12980096469775 5429 CN1C=NC2=C1C(=O)NC(=O)N2C 1 -0.306 4 2 0 -5.43048804557044 5426 C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O 1 9.7e-002 2 4 0 -10.4111877616235 5420 CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C 1 0.463 4 3 0 -3.90704497447259 5408 CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C 1 3.473 0 2 -18.4603762524525 5396 COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O 1 2.516 0 13 0 -10.0773910955541 5387 CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C 1 1.458 4 2 0 -6.39767121372805 5383 CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC 1 1.433 4 1 0 -3.82044901742682 5382 C1=CC(=CC=C1OC2=C(C=C(C=N2)Cl)Cl)OC3=C(C=C(C=N3)Cl)Cl 1 6.385 2 2 6.40992255382616 5362 CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O 1 3.504 2 6 0 -13.1210738920635 5359 CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O 1 3.314 0 3 -6.73747154069561 5353 COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=CC=N3 1 1.729 3 2 0 1.58208877964605 5340 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 1 0.568 3 2 0 -4.38429132189613 5336 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N 1 0.959 3 2 0 -1.71660900277764 5328 CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N 1 0.305 4 2 0 -8.03141727542461 5326 COC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N 1 0.297 4 3 0 -5.29334504676994 5324 C1=CC(=CC=C1N)S(=O)(=O)N=C(N)N 1 -1.023 4 2 0 -3.78935260039942 5319 C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N 1 1.442 2 3 0 -6.26050765657242 5315 C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2 1 0.28 3 5 0 -15.381487054264 5311 C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO 1 2.005 2 3 -6.39929136937773 5280 CC1=CN(C(=O)NC1=O)C2CCC(O2)CO 1 -0.599 2 4 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CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC 1 2.366 3 3 2.30936327631461 5022 CC(CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O 1 0.484 5 4 0 -10.3145118520295 4994 CCC1(C(=O)C=CNC1=O)CC 1 0.911 1 2 0 -5.38490301589522 4977 CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O 1 -0.262 4 3 0 -12.5159947380198 4971 CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C=C)C)C=C 1 8.295 4 4 0 -0.86568147431468 4943 CC(C)C1=C(C(=CC=C1)C(C)C)O 1 3.976 0 1 1.66495105463891 4938 CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C 1 1.38 4 3 0 -17.6244244303114 4937 CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C 1 1.968 5 0 0 -5.97153795581641 4928 CC(C)NC1=NC(=NC(=N1)OC)NC(C)C 1 1.617 5 1 0 -8.69293062713397 4922 CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC=CC=C1 1 2.235 2 4 -18.8779136728887 4917 CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl 1 4.697 3 0 8.3728302269426 4912 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C 1 9.779 0 2 2.68997540998967 4895 CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O 1 1.639 0 6 0 -5.51621732917199 4883 CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O 1 0.752 2 3 0 -6.68589863212935 4879 C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N 1 1.469 5 0 0 1.6513229680032 4878 CC(C)(C)N1C2=C(C(=N1)C3=CC=C(C=C3)Cl)C(=NC=N2)N 1 3.435 5 0 4.70018672648305 4849 C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3 1 2.348 2 5 0 -4.76696154073776 4843 C1CC(=O)N(C1)CC(=O)N 1 -1.312 2 2 0 -15.0877489865494 4838 C1CNCCC1S(=O)(=O)O 1 -0.839 1 3 0 -9.23976291341254 4831 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O 1 -3.575 5 3 0 -4.86841246446654 4828 CC(C)NCC(COC1=CC=CC2=C1C=CN2)O 1 1.925 2 2 0 -4.36364786709371 4806 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O 1 1.729 3 5 0 -11.9687159391069 4780 C1=CC=C(C=C1)N=C(N)N=C(N)N 1 -1.7e-002 5 0 0 1.77664644108232 4763 CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2 1 1.32 2 3 0 -7.96851898628155 4757 C1=CC=C2C(=C1)N=C3C=CC=CC3=N2 1 3.059 2 0 2.72301502361204 4731 CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C 1 0.924 2 5 0 -9.68539492091401 4728 CC(=C)C1(C(=CC(=O)O1)OC)O 1 0.778 0 4 0 -3.70459811553833 4723 C1=CC=C(C=C1)C2C(=O)N=C(O2)N 1 1.26 2 2 0 -3.19362271950107 4687 CN1C=NC2=C1C(=O)N(C(=O)N2)C 1 -0.306 4 2 0 -4.70749145351598 4671 CCCCCCCCCCCCCCCC(=O)NCCO 1 5.431 1 2 -13.8339098290537 4641 CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3 1 3.712 2 3 -3.24635196439552 4630 C1CCN(C1)CC#CCN2CCCC2=O 1 1.025 2 1 0 -8.16899926038017 4628 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O 1 1.273 1 5 0 -0.799964984948298 4622 CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC 1 2.506 3 3 -1.85878459124452 4621 CC(C)(CC1=CC=CC=C1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC2=CC=CC=C2 1 3.286 3 3 -2.14371906600566 4619 CCC(CC)(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC 1 4.217 1 3 -4.62812800624542 4615 C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5 1 4.252 4 1 -9.89592486176615 4612 CC(C)NCC1CCC2=CC(=C(C=C2N1)[N+](=O)[O-])CO 1 1.817 3 3 0 -4.95177572838483 4564 C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)N 1 2.248 5 1 0.394273220513604 4563 C1=CC(=C(C=C1Br)Br)OC2=CC(=CC(=C2O)Br)Br 1 6.141 0 2 9.13174063471871 4552 C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2C3=C(C=CC(=C3)C(F)(F)F)O 1 4.117 2 2 4.79486213532731 4549 C1=CC=C(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O 1 3.523 2 4 -5.8857479147288 4544 CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3 1 3.012 1 7 0 -7.38896161312611 4539 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O 1 -1.411 3 3 0 -4.93157424014066 4509 C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-] 1 0.105 4 5 0 -6.32114069957504 4506 C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3 1 2.195 3 3 -2.3926855678894 4498 C1CC(CNC1)C(=O)O 1 -2.684 1 2 0 -8.4708468074389 4496 CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3 1 2.401 3 3 1.58143206631956 4493 CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C 1 2.254 3 4 0 -5.39059470541995 4487 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CN=CC=C3 1 0.556 4 2 0 -17.3587112394511 4486 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CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)[O-].[Na+] Na+ 1 -0.448 3 4 0 -4.49778544701146 4049 CNCC(C(C(C(CO)O)O)O)O 1 -2.798 1 5 0 -3.13244410340954 4045 CCN(CC)CCNC(=O)COC1=CC=C(C=C1)OC 1 1.693 2 3 0 -9.22422417349199 4030 COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3 1 3.055 3 3 -3.62790475191935 4011 CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24 1 4.116 1 0 1.38798818304915 3951 CC(=CCC1=C(C2=C(C(=C1O)CC=C(C)C)OC(CC2=O)C3=CC=C(C=C3)O)O)C 1 6.087 0 5 0.374726984614168 3945 CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O 1 3.933 1 2 -6.74777908836577 3932 C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5 1 4.156 3 1 1.69359095023434 3926 CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F 1 6.398 3 1 -5.47680626149393 3893 CCCCCCCCCCCC(=O)O 1 4.568 0 2 -8.10157839455979 3845 C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O 1 1.073 1 3 0 -4.45277130306458 3830 C1=COC(=C1)CNC2=NC=NC3=C2NC=N3 1 0.403 5 1 0 -2.63443275831175 3821 CNC1(CCCCC1=O)C2=CC=CC=C2Cl 1 2.88 1 1 6.97102630886129e-002 3787 CC(CCC1=CC=CC=C1)C(=O)NO 1 2.254 1 2 -3.66458086124866 3786 C1=CC=C(C=C1)C2=C(C=CS2)CC(=O)NO 1 2.351 1 2 -2.6910670949587 3773 C1CNCCC1C(=O)O 1 -2.819 1 2 0 -8.53755630721301 3760 C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl 1 5.645 2 1 6.62234971109007 3759 CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2 1 1.157 3 2 0 -8.92526374743499 3742 CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I 1 1.976 5 8 0 -19.0677415033506 3739 C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I 1 5.591 2 6 0 -7.87148146876402 3736 CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I 1 -1.057 3 8 0 -13.1028073474344 3735 CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O 1 3.857 1 2 -2.05430236386988 3728 C1=CC2=C(C(=C(C=C2I)I)O)N=C1 1 2.93 1 1 5.09887752232445 3690 C1CN(P(=O)(OC1)NCCCl)CCCl 1 0.144 2 2 0 -4.31329001843455 3675 C1=CC=C(C=C1)CCNN 1 0.919 2 0 0 -0.390392471561949 3671 CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)C 1 3.339 2 1 -3.61070951740657 3640 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O 1 1.283 0 5 0 -9.3689495521029 3639 C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl 1 -0.28 3 4 0 -9.12302508299374 3611 CC(C)C1=CC(=O)C(=CC=C1)O 1 1.896 0 2 0 -2.10049033197467 3610 CCCCCCC1=C(C=C(C=C1)O)O 1 4.113 0 2 3.1965243408016 3608 CC1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2 1 1.493 2 3 0 -7.46752596642477 3606 CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O 1 5.192 0 2 1.6802646171804 3517 C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)Cl 1 2.192 4 0 3.62868067187537 3516 COC1=CC=CC=C1OCC(CO)O 1 0.747 0 4 0 -6.32584391881141 3503 CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C 1 6.592 0 8 0 -0.459946679015283 3449 CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O 1 1.442 1 3 0 3.95418525912699 3446 C1CCC(CC1)(CC(=O)O)CN 1 -1.486 1 2 0 -2.44978203907264 3442 CCCCC1=CN=C(C=C1)C(=O)O 1 2.592 1 2 -4.96361122086613 3431 CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O 1 -4.4e-002 1 15 0 -15.8338477826505 3423 CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2CC3=CC=CC=C3 1 4.448 1 3 -4.89402924785948 3385 C1=C(C(=O)NC(=O)N1)F 1 -1.102 2 2 0 -7.34032496563922 3381 CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)F)C 1 0.995 0 6 0 7.95424931679399e-002 3357 CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F 1 -0.947 3 3 0 -1.52976726530751 3351 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)Cl 1 3.052 2 4 -1.61487437903991 3334 COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3 1 3.769 3 2 0.387669477406374 3332 C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O 1 3.013 0 2 -0.299876685989433 3326 CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CN(C)C(C)CC3=CC=CC=C3 1 4.445 3 1 -4.00895468030021 3314 COC1=C(C=CC(=C1)CC=C)O 1 2.579 0 2 -2.33540659383181e-002 3306 CCNCC(C1=CC(=CC=C1)O)O 1 0.963 1 2 0 1.65048977939538 3293 CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C 1 3.221 1 1 -4.18952999410485 3292 CCN1C(=O)C(NC1=O)C2=CC=CC=C2 1 1.113 2 2 0 -7.43754114549025 3279 CCC(CO)NCCNC(CC)CO 1 0.11 2 2 0 -0.642794171762221 3278 CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl 1 3.963 0 4 -5.54357794359259 3229 CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O 1 -2.103 4 3 0 -7.38426949142237 3218 CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O 1 4.62 0 4 -3.99471010850125 3203 C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F 1 4.381 1 2 -0.862414149333175 3132 C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O 1 1.353 1 3 0 -8.17939506745926 3126 CCCCCCCCCCCCCCCC(C(CO)N)O 1 5.134 1 2 -4.12099665436748 3125 CC(CC1=CC=C(C=C1)O)(C(=O)O)N 1 -1.536 1 3 0 0.684360007193 3118 CCOP(=S)(OCC)SCCSCC 1 2.952 0 2 -5.48193933371689 3102 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 1 3.234 0 1 -2.3328898060729 3038 C1=C(C=C(C(=C1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N 1 0.569 2 4 0 -4.40657271479348 3026 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC 1 4.198 0 4 -7.42201999200746 3016 CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 1 3.171 2 1 5.70599452740229 3012 CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(C4=CC=CC=C4)C5=CC=C(C=C5)F)CC3 1 4.841 3 1 -10.1643201802758 3003 CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C 1 1.708 0 5 0 -2.93059387542555 2999 CCC12CCC3C(C1C=CC2(C#C)O)CCC4=CC(=O)CCC34 1 4.462 0 2 -3.87463135186193 2998 CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC 1 4.103 1 3 -12.3779597323074 2997 C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3 1 2.965 2 1 1.73187689319333 2950 C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O 1 2.324 0 4 4.33321093497062 2944 C1=C(NC(=NC1=O)N)N 1 -1.177 4 1 0 -7.05676947829568 2910 C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl 1 1.228 3 4 0 -4.97846139425642 2904 C1CCC(C1)CC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl 1 1.8 3 4 0 -7.40221085910279 2890 C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3 1 1.947 1 3 0 -8.25161409244969 2866 COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O 1 2.822 2 3 -5.07157897763951 2833 CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC 1 2.044 1 6 0 -7.75692603620644 2788 C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1 1 3.016 1 1 6.55849985196493 2786 CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl 1 1.277 2 5 0 -7.81890874812855 2764 C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O 1 -1.27 3 3 0 -5.69173381280575 2763 CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl 1 2.954 0 3 5.71147839202872e-002 2758 CC1(C2CCC(O1)(CC2)C)C 1 2.147 0 1 1.33165693050457 2741 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O 1 1.247 0 4 0 -4.36685371845669 2733 C1=CC2=C(C=C1Cl)NC(=O)O2 1 2.004 1 2 0.254736916588868 2732 C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O 1 1.383 2 4 0 -4.76044817596271 2730 CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl 1 4.599 1 3 1.08831171434526 2724 C1=CC(=CC=C1OCC(COC(=O)N)O)Cl 1 1.597 1 4 0 -1.28090486552075 2723 CC1=CC(=CC(=C1Cl)C)O 1 3.224 0 1 5.06530954923939 2722 C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1 1 3.103 1 1 5.59452596204229 2720 C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2 1 -0.824 3 4 0 -6.90740577352228 2692 C1CCC(CC1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O 1 6.e-002 5 4 0 -13.7341493610434 2618 CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O 1 -1.333 8 4 0 -35.1282534671888 2581 CC(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)O 1 4.114 1 2 5.51915072350729 2578 C(CCl)NC(=O)N(CCCl)N=O 1 1.201 3 2 0 -5.10099561958887 2574 C1=C(NC=N1)CCNC(=O)CCN 1 -1.543 4 1 0 -9.2784722505103 2537 CC1(C2CCC1(C(=O)C2)C)C 1 2.075 0 1 0.245309365400981 2482 CCCCOC(=O)C1=CC=C(C=C1)N 1 2.267 1 2 -4.65485083624806 2480 CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)N 1 3.797 2 2 -4.19321311266212 2478 CS(=O)(=O)OCCCCOS(=O)(=O)C 1 -0.289 0 6 0 -4.90171988516444 2448 C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F 1 3.971 1 2 4.94450835883463 2446 CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Br 1 1.859 3 2 0 -7.36099232425073 2430 CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O 1 2.152 0 4 -0.633412453606899 2406 C1=C(C=C(C(=C1Cl)O)SC2=CC(=CC(=C2O)Cl)Cl)Cl 1 6.122 0 2 5.09829678016287 2391 CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3 1 3.691 1 4 -4.53029478368135 2374 CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)C)O 1 4.146 0 2 2.98354938820534 2366 CNCCC1=CC=CC=N1 1 0.68 2 0 0 -1.93968146442691 2348 C1=CC=C(C=C1)CC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl 1 1.583 3 4 0 -5.82964340486497 2347 CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2 1 4.452 0 4 -8.39139573324014 2343 C1=CC=C(C=C1)CSCC2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)S(=O)(=O)N 1 1.966 3 4 0 -11.5308249929048 2332 C1=CC=C(C=C1)C(=N)N 1 0.886 2 0 0 -2.15988838293895 2331 C1=CC=C(C=C1)C(=O)N 1 0.832 1 1 0 -4.45408690248345 2284 C1=CC(=CC=C1C(CC(=O)O)CN)Cl 1 -1.06 1 2 0 -3.75010787526149 2265 CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-] 1 1.071 7 2 0 -4.00435830926843 2259 C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O 1 2.602 0 9 0 0.67297691510416 2253 CC(C)(C)C1=C(C(=O)NO1)CC(C(=O)O)N 1 -2.79 2 4 0 -6.86220597439075 2240 CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C 1 1.998 0 5 0 -5.40209681966349 2215 CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O 1 3.116 1 2 4.02243290816942 2214 CC(=O)C1=CC(=C(C=C1)O)OC 1 1.311 0 3 0 -1.18898194036682 2181 C1CCNC(C1)C2=CN=CC=C2 1 1.162 2 0 0 -2.3889392299958 2176 CCOC(=O)OC(C)OC1=C(N(S(=O)(=O)C2=CC=CC=C21)C)C(=O)NC3=CC=CC=N3 1 1.718 3 7 0 -3.03623062585858 2170 C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl 1 2.897 3 1 -3.1406009763069 2165 CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O 1 4.76 3 1 7.56014388894202 2162 CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN 1 1.576 2 5 0 -23.9734075082821 2154 C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N 1 -0.239 8 5 0 -22.2228226555027 2151 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N 1 2.1e-002 3 1 0 -7.01121896773199 2148 C1=CC(=CC=C1C(=O)NCC(=O)O)N 1 -0.227 2 3 0 -9.26924274446144 2143 CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4N 1 3.128 2 1 -6.48937450833319 2141 C(CN)CNCCSP(=O)(O)O 1 -0.849 2 3 0 -0.705243851831492 2132 C1CC(CCC1NCC2=CC(=CC(=C2N)Br)Br)O 1 2.739 2 1 5.83926355546294 2122 C=CCSCC1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl 1 1.168 3 4 0 -13.0138840649523 2108 COC1C(C(C(C(O1)CO)O)O)O 1 -2.105 0 6 0 -12.4505717427118 2083 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O 1 0.941 1 3 0 1.13440360952837 2082 CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC 1 3.065 3 2 -3.51599457528346 2052 C1=CC(=C(C=C1C=C(C#N)C#N)O)O 1 1.531 2 2 0 4.8314716120075 2048 CC1=CC2=NC=C(N=C2C=C1C)C3=CC=CC=C3 1 4.213 2 0 6.32212068511411 2022 C1=NC2=C(N1COCCO)NC(=NC2=O)N 1 -1.423 5 3 0 -8.80648335138052 2020 CCCCCC(CC(=O)NO)C(=O)NC(C(C)C)C(=O)N1CCCC1CO 1 1.434 3 5 0 -16.6762347254481 2015 C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2 1 2.954 1 1 -3.72326238904594 2007 C1C(ON=C1Cl)C(C(=O)O)N 1 -3.25 2 3 0 -5.52235109429355 2002 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O 1 1.188 2 3 0 -12.0102687339952 2000 CC(=O)NC(CC1=CC=CC=C1)C(=O)O 1 0.895 1 3 0 -11.0276346184348 1990 CC(=O)NO 1 -0.82 1 2 0 -1.91753046689662 1989 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2 1 2.119 2 4 -12.5211762270674 1988 CCC1=CC=CC(=C1N(COCC)C(=O)CCl)C 1 3.317 1 2 -7.08891357422552 1981 CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O 1 3.942 1 6 0 -0.339860003431644 1967 CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C 1 5.757 0 3 -1.12362904645733 1935 C1CCC2=NC3=CC=CC=C3C(=C2C1)N 1 2.79 2 0 3.69052504086345 1923 C1=CC2=C(C(=C1)O)N=CC=C2 1 1.774 1 1 0 3.05185939979564 1922 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3 1 1.619 4 2 0 -6.55033011684866 1917 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CCCC3 1 1.625 4 2 0 -9.21946544228896 1890 C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3 1 2.857 0 3 2.74383937819231 1889 C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O 1 2.615 0 4 3.00050775845218 1882 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl 1 0.565 4 2 0 -14.7781129394533 1868 COC1=CC2=C(C=C1)NC3=C2CCNC3 1 1.797 2 1 0 2.38592444034935 1814 CCC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O 1 -0.782 2 5 0 -10.3694505986271 1826 C1=CC2=C(C=C1O)C(=CN2)CC(=O)O 1 1.546 1 3 0 -0.817383145761771 1864 CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O 1 1.313 2 3 0 -6.4098146160998 1858 CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)Cl 1 2.22 2 2 -10.1792247001934 1853 C1=CC=C2C(=C1)C3=CC=CC=C3NC2=O 1 2.303 1 1 -5.99141289468514 1839 C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)N 1 0.223 4 4 0 -4.86579407665742 1833 COC1=CC2=C(C=C1)NC=C2CCN 1 1.534 2 1 0 -0.743963609162639 1832 CN(C)CCC1=CNC2=C1C=C(C=C2)OC 1 2.501 2 1 1.05967627341758 1795 CCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)C 1 0.616 7 1 0 -6.73498426453873 1794 C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N 1 0.914 7 1 0 -3.17009146242544 1780 CCCCCC#CCC#CCC#CCC#CCCCC(=O)O 1 6.929 0 2 -7.51821052063125 1761 C1CC1NC(=O)C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O 1 -1.685 6 4 0 -12.4300849410376 1742 C1=CC(=CC=C1C(=O)NN)O 1 9.8e-002 2 2 0 -1.73468129456944 1738 COC1=C(C=CC(=C1)CC(=O)O)O 1 1.236 0 4 0 -2.21320647939199 1730 C1=CC(=CC=C1C(=O)O)[Hg]Cl 1 1.794 0 2 0 -1.98531395172749 1727 C1=CN=CC=C1N 1 -6.8e-002 2 0 0 1.44089899585825 1678 C(C[N+](=O)[O-])C(=O)O 1 2.e-002 1 4 0 -5.87508449127462 1676 CCCN1C2=C(C(=O)NC1=O)NC=N2 1 0.36 4 2 0 -5.17921394059993 1662 CC(CC(=O)O)(CC(=O)O)O 1 -0.665 0 5 0 -5.71440981747577 1646 C(CN)CS(=O)(=O)O 1 -1.181 1 3 0 -6.31884299742186 1645 C1=CC(=CC(=C1)N)C(=O)N 1 8.5e-002 2 1 0 -3.68840080652596 1639 C1=NNC(=N1)N 1 -0.615 4 0 0 -2.71357433744639 1609 C1=CC=C2C(=C1)C(=C(OC2=O)Cl)Cl 1 2.758 0 2 -1.15076829746453e-002 1539 C1C2=CC=CC=C2C3=C1C=C(C=C3)N 1 2.746 1 0 6.21265029880253 1532 CC1=CC(=O)N=C(N1)N 1 -0.444 3 1 0 -10.0905103887321 1493 C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O 1 1.376 2 5 0 2.24097832919542 1492 COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 2.179 2 6 0 -5.70401719554384 1491 C1=CC(=C(C=C1O)O)C(=O)O 1 0.975 0 4 0 2.33743553421622 1483 C1=C(C=C(C(=C1Br)O)Br)Br 1 3.833 0 1 6.73553841137961 1474 C1=CC=NC(=C1)C2=CC=CC=N2 1 1.904 2 0 0 2.81361318407246 1401 CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C 1 3.841 7 3 0 -14.6098296947909 1400 CC1=CC=C(C=C1)C2=NN(C3=C2C(=NC=N3)N)C(C)(C)C 1 3.257 5 0 2.87818803589623 1369 C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O 1 3.621 1 3 -3.47237658211241 1367 C1=CC=C2C(=C1)N=NN2N 1 0.943 4 0 0 -2.29142025459459 1365 CN1C2=C(N=C1C3=CC=C(C=C3)S(=O)(=O)O)N(C(=O)N(C2=O)CC=C)C 1 1.774 4 5 0 -12.8611385813515 1359 C1=CC=C(C(=C1)C(F)(F)F)N2C=CN=C2 1 2.442 2 0 -0.315823765451097 1345 CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl 1 5.291 2 1 2.32237715057858 1340 C1=CC2=C(C=CNC2=O)C(=C1)O 1 0.484 1 2 0 -1.19735047905056 1330 CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O 1 2.697 4 5 0 -7.75033023733524 1318 C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 1 2.202 2 0 0.302421430400767 1309 CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3 1 3.028 1 6 0 -9.37877813439802 1302 CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O 1 2.849 0 3 -0.895231610966803 1292 C1=CC=C(C=C1)C(C(=O)O)O 1 0.842 0 3 0 -6.40191291418066 1245 COC1=C(C=CC(=C1)C(C(=O)O)O)O 1 0.583 0 5 0 -2.37117441404868 1233 C1=C(ONC1=O)C(C(=O)O)N 1 -4.472 2 4 0 -7.68210228382366 1216 C(CC(C(=O)O)N)CP(=O)(O)O 1 -3.632 1 5 0 -8.96394876629632 1201 CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(C(C(O4)C)C)O 1 4.16 0 5 -5.83714776400097 1176 C(=O)(N)N 1 -1.043 2 1 0 -1.50859241452762 1174 C1=CNC(=O)NC1=O 1 -1.012 2 2 0 -9.16679389805312 1150 C1=CC=C2C(=C1)C(=CN2)CCN 1 1.55 2 0 0 -2.25180421476294 1101 C(C(C(C(C(=O)CO)O)O)O)O 1 -2.874 0 6 0 -3.54023397337745 1057 C1=CC(=C(C(=C1)O)O)O 1 1.103 0 3 0 5.47807620444668 1047 C1=CN=C(C=N1)C(=O)O 1 -0.413 2 2 0 -5.25960397111711 1046 C1=CN=C(C=N1)C(=O)N 1 -1.041 3 1 0 -4.92804506878852 1030 CC(CO)O 1 -0.52 0 2 0 5.25406657333447e-002 1017 C1=CC=C(C(=C1)C(=O)O)C(=O)O 1 1.089 0 4 0 -3.61979305258931 992 C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O 1 4.91 0 1 3.95113158190218 957 CCCCCCCCO 1 2.795 0 1 -1.62171114336535e-002 938 C1=CC(=CN=C1)C(=O)O 1 0.309 1 2 0 -2.93626283835659 936 C1=CC(=CN=C1)C(=O)N 1 -0.319 2 1 0 -4.91263581375247 931 C1=CC=C2C=CC=CC2=C1 1 2.738 0 0 1.64017207986585 903 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O 1 1.33 2 2 0 -5.24481539620852 803 C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O 1 1.664 1 3 0 -2.55094792279264 795 C1=CN=CN1 1 -0.283 2 0 0 0.40503357429449 774 C1=C(NC=N1)CCN 1 -0.851 3 0 0 0.858213788437042 745 C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N 1 -4.772 3 6 0 -23.4444217910454 701 CCOC(=O)C(C)C(=O)C 1 0.743 0 3 0 -6.80700370226333 698 CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O 1 3.938 0 2 -6.41652275467823 637 C1C(C(OC1N2C=CC(=NC2=O)N)CO)O 1 -1.63 3 4 0 -7.0135661524046 546 C(C(=O)O)P(=O)(O)O 1 -1.102 0 5 0 -4.56917193750406 547 C1=CC(=C(C=C1CC(=O)O)O)O 1 1.01 0 4 0 1.71867251519431 588 CN1CC(=O)N=C1N 1 -0.9 3 1 0 -2.78729076151574 564 C(CCC(=O)O)CCN 1 -2.164 1 2 0 -7.62688084818412 525 C(C(C(=O)O)O)C(=O)O 1 -1.012 0 5 0 -7.40447999953052 499 C1CC(=O)NC1C(=O)O 1 -0.754 1 3 0 -11.8621519992741 464 C1=CC=C(C=C1)C(=O)NCC(=O)O 1 0.519 1 3 0 -10.762898184322 460 COC1=CC=CC=C1O 1 1.571 0 2 0 3.47483164497802 444 CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C 1 3.119 1 1 -2.16155032041299 403 C1=CC(=CC=C1N)O 1 0.841 1 1 0 4.30595378494359 366 CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C 1 2.113 0 4 -6.68042167095045 338 C1=CC=C(C(=C1)C(=O)O)O 1 1.217 0 3 0 0.293444441368556 311 C(C(=O)O)C(CC(=O)O)(C(=O)O)O 1 -1.319 0 7 0 -7.19869332302248 303 CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C 1 2.912 0 5 -17.4225485415712 299 C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl 1 4.638 0 1 -1.58838272189791 289 C1=CC=C(C(=C1)O)O 1 1.346 0 2 0 3.97634857567691 204 C1(C(=O)NC(=O)N1)NC(=O)N 1 -1.76 4 3 0 -13.3412788376679 191 C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O 1 -1.881 5 4 0 -12.3597952242505 190 C1=NC2=C(N1)C(=NC=N2)N 1 -0.446 5 0 0 -1.27733638558854 127 C1=CC(=CC=C1CC(=O)O)O 1 1.252 0 3 0 -1.85963952290698 119 C(CC(=O)O)CN 1 -3.076 1 2 0 -6.45886129289567 109 C(C(C(=O)O)N)S(=O)O 1 -3.703 1 4 0 -4.73758391261887 86 C1=CC(=C(C(=C1)O)N)C(=O)O 1 0.471 1 3 0 0.468795539434579 72 C1=CC(=C(C=C1C(=O)O)O)O 1 0.975 0 4 0 3.52775254142075 19 C1=CC(=C(C(=C1)O)O)C(=O)O 1 0.975 0 4 0 1.55252891969952 26855256 COC1=C(C=CC(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)Cl)OCC(=O)N3CCOCC3 1 1.456 3 6 0 -14.0740294498536 26848199 CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=O)CCOC2=CC=CC=C2 1 2.941 2 4 -4.95107443255798 26809209 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-] 1 1.004 6 6 0 -29.0483687439193 26783340 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 2.283 4 3 0 -16.7393482352046 26720995 C1CC2=NC3=C(C=CC(=C3)C(=O)NNC(=O)C4=CC=C(C=C4)Cl)C(=O)N2C1 1 1.996 4 3 0 -10.6360485039262 26661305 CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)C 1 2.593 4 3 0 -20.2289471053956 26636427 C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)N)Cl 1 2.494 3 3 -9.23360743092496 26623169 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CN2C3=CC=CC=C3OC2=O 1 1.653 3 4 0 -10.3976644235913 26619217 CN(CC1=CC=C(C=C1)SC)C(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 3.163 3 2 -5.45254868907928 26618302 CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)OC 1 2.476 3 5 0 -16.2540393928872 26500904 C1=CC=C(C(=C1)/C=C/C(=O)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-] 1 1.083 4 4 0 -7.00187261690272 26500901 C1=CC(=NC=C1C(=O)NNC(=O)C2=CC=NC=C2)Cl 1 0.444 4 2 0 -7.50172982739935 26500892 C1=CC(=CC(=C1)Br)/C=C/C(=O)NNC(=O)C2=CC=NC=C2 1 1.937 3 2 0 -3.66519954081015 26500889 C1=CC(=CC=C1C2=CC=C(O2)C(=O)NNC(=O)C3=CC=NC=C3)[N+](=O)[O-] 1 1.82 4 5 0 -3.09621015161084 25265958 CCOC(=O)/C=C/[C@H]1CCC2=C(O1)C(=CC=C2)C 1 3.596 0 3 -1.36043350065571 25163928 C1CCC(CC1)CNCC2=C(C=CC(=C2)Cl)O.Cl Cl- 1 3.978 1 1 9.80374994628653 25163927 C1CO[C@]2([C@H]([C@@H](C[C@@H](O2)CCO)O)O)C3=CC=CC=C31 1 0.167 0 5 0 0.599194791679678 25163926 C1CO[C@@]2(CC3=CC=CC=C31)[C@@H]([C@H](C[C@@H](O2)CCO)O)O 1 0.229 0 5 0 -0.159647121853077 25163925 CCCCCCCNC(=O)C1(CCNCC1)CC2CC(=NO2)C3=CC=CC=C3 1 3.806 3 2 -14.1681994317802 25163924 CC1=CC(=C(C=C1)C2=NC(=NC(=N2)N)N)C 1 2.086 5 0 3.74070226337819 25163922 C1=CC=C2C(=C1)C=CC=C2CNCC3=C(C=CC(=C3)Cl)O.Cl Cl- 1 4.282 1 1 12.7631366648277 25163920 C1=CC(=C(C=C1CNCC2=C(C=CC(=C2)Cl)O)F)F.Cl Cl- 1 3.784 1 1 11.2647695526619 25163919 CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)N 1 1.339 5 6 0 -15.9552394427962 25163918 CCOC(=O)C1=CC(=NN1CC2=CC(=NO2)C)C3=CC=CC=C3C 1 3.806 3 3 -4.84555952064286 25163917 CCCCCCCNC(=O)C1(CCN(CC1)C(=O)C2=CC=CC=C2)CC3CC(=NO3)C4=CC=CC=C4 1 5.266 3 3 -13.4159983281836 25163916 CCC1=NOC(=C1)CN2C(=CC(=N2)C3=CC=CC=C3C)C(=O)OCC 1 4.473 3 3 -9.82768155239703 25163915 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.614 3 6 0 -27.8631939313275 25163914 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)F 1 2.694 3 4 0 -16.9121294768706 25163913 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC)C3=CC=CC=C3 1 3.232 5 5 0 -23.287825551583 25163912 COC1=CC=CC(=C1)CNC(=O)CCC(=O)N2CCOCC2 1 0.258 2 4 0 -19.7076364793592 25163911 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 -0.783 4 8 0 -27.6556373707875 25163910 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)C 1 -9.9e-002 6 3 0 -5.96472413899455 25163909 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC=C(O2)C 1 1.73 4 4 0 -11.1786451838521 25163908 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CC3=C(C=CC=C3Cl)F)C 1 3.412 2 5 0 -19.7191455256281 25163907 CC1=CC=C(C=C1)OCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.612 3 5 0 -20.7004642806024 25163906 CCC(C1=CC=CC=C1)C(=O)OCC(=O)N(CC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 2.262 4 5 0 -14.470955547367 25163905 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=CC3=CC=CC=C3OC2=O 1 1.379 3 5 0 -18.8953725751558 25163904 C1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 1.21 2 5 0 -7.60819997413523 25163903 CC1CCCCC1NC(=O)C(C)OC(=O)CC2=CNC3=CC=CC=C32 1 3.735 2 3 -13.7277456139434 25163902 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 1.696 3 7 0 -19.0253584020861 25163901 CCOC1=CC=C(C=C1)NC(=O)COC(=O)CSCC(=O)NC2=C(C=C(C=C2)C)C 1 3.079 2 5 0 -16.3290080529478 25163900 CC1=CC=CC=C1OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.146 2 4 -20.4812411355842 25163899 C1=CC=C(C(=C1)OCC(=O)NNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])Cl 1 1.808 6 5 0 -17.2883720747062 25163898 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=CC4=C(C=C3)OCO4 1 1.544 4 7 0 -11.5140885258809 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25163886 COC1=CC=C(C=C1)CNCC2=C(C=CC(=C2)Cl)O.Cl Cl- 1 3.357 1 2 10.1599251408192 25163885 C1=CC(=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N)F 1 2.324 3 3 -2.54191571151821 25163884 C1CCN(CC1)C(CNC(=O)CNC(=O)C2=CC=CO2)C3=CC=CO3 1 1.449 3 4 0 -19.5514632326261 25163883 CC1=C(C=CC(=C1)OCC(=O)N(CC2=CC=CO2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N)Cl 1 3.004 4 5 0 -7.80736441675518 25163882 CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)SC(F)F)N3CCOCC3 1 3.298 3 4 0 -14.2904638018333 25163881 CCCCCC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2 1 2.196 3 3 -16.4192629571141 25163880 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)N(C)C3=CC=CC=C3)C 1 3.573 2 5 0 -16.181266604168 25163879 COC1=CC=C(C=C1)C(CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)N3CCOCC3 1 2.219 3 5 0 -23.0822919010214 25163878 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)CSC2=CC3=C(C=C2)OCCO3 1 2.707 2 5 0 -14.6071519139788 25163877 CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC=C2Cl)C3=CC=CC=C3 1 3.941 3 3 -10.6945230480376 25163876 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CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC 1 2.602 4 5 0 -16.9610053494471 25163692 CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)CC3=CC=CC=C3)Cl 1 1.825 3 4 0 -13.5539575966167 25163691 CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCCC2=CCCCC2)[N+](=O)[O-] 1 2.184 4 5 0 -19.8775362011522 25163690 CC1=CC(=CC=C1)COC2=CC=CC=C2C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F 1 4.139 2 3 -7.09993665199217 25163689 CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C)Cl)C3=CC=CC=C3 1 2.894 4 4 0 -12.2131695734252 25163688 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)C2=C(C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O)OC 1 2.685 3 5 0 -9.67255129596443 25163687 CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CCN2C(=O)C3CC=CCC3C2=O)N 1 -0.565 5 6 0 -16.8263129203334 25163686 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)CCN2C(=O)C3CC=CCC3C2=O 1 0.79 3 4 0 -15.1278972759719 25163685 CC1=CC=C(O1)C(=O)OC(C)C(=O)NC(C)CCC2=CC=CC=C2 1 3.508 1 4 -7.91909576175911 25163684 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)N 1 0.65 6 5 0 -19.4432963237614 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-16.2551580023537 25163653 CC(=O)N1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 0.22 3 4 0 -12.4174443709998 25163652 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F 1 3.411 4 2 -9.75159772846084 25163651 CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=[N+](C=C3)[O-] 1 3.018 2 4 -19.6379321493988 25163650 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=CC=C2OCC3=CC=CC(=C3)C)OCC 1 4.598 2 5 0 -14.6032952627979 25163649 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NNC(=O)C2=CC=CC=C2 1 2.634 2 5 0 -12.9265487169646 25163648 CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 4.171 2 4 -21.6927802215059 25163647 CC(C)[C@@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)F)NC(=O)OCC3=CC=CC=C3 1 3.735 3 5 0 -13.4570232385445 25163646 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)COC3=CC(=C(C=C3)Cl)C)C 1 3.493 2 6 0 -18.4169883486025 25163645 CSCCC(C(=O)NCC1CCCO1)NC(=O)C2=CC=CO2 1 0.663 2 4 0 -23.6248647534334 25163644 CC1=CC=C(C=C1)OCCNC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 2.434 2 3 -15.8760725903137 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C1CC(=O)N(C1)C(=O)COC(=O)CNS(=O)(=O)C2=C(C=C(C=C2)Br)Cl 1 1.166 2 6 0 -14.7787360943767 25163384 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl 1 3.496 4 4 0 -17.7700527261334 25163383 CC1=C(C=C(C=C1)C(=O)N(C)CCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)N3CCCCC3 1 3.636 2 5 0 -21.1319404260738 25163382 CCOC1=CC=CC=C1C(=O)NCC(=O)NCC(C)(C)N2CCOCC2 1 0.839 3 4 0 -19.6533804259429 25163381 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 3.128 3 4 0 -20.7912960496162 25163380 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 2.297 3 3 -18.9994783956656 25163379 CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 4.424 2 2 -11.2690986124429 25163378 CC1CN(CC(O1)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)OC 1 2.822 2 5 0 -14.0602009680479 25163377 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)CC(C)C3=CC=CC=C3 1 4.394 2 3 -13.0928612058594 25163376 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N(C)C3CCN(CC3)C.Cl Cl- 1 2.814 3 3 -3.46783866882683 25163375 CC[C@H](C)C(C1=CN(N=N1)[C@@H](CC(=O)N)C(=O)N2CCNCC2)N 1 -0.959 7 2 0 -21.5321531564287 25163374 CC(=O)C[C@@H]1CCCC(=O)[C@@]1(CCCN=[N+]=[N-])S(=O)(=O)C2=CC=CC=C2 1 3.207 3 4 0 -7.84560810662333 25163373 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)CO 1 2.371 1 6 0 -24.1125251082992 25163372 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC)OCC 1 1.465 3 8 0 -25.2961497014215 25163371 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.395 2 5 0 -21.5078477102964 25163370 C1CC(C1)C(=O)NNC(=O)C2=CC(=CC=C2)Cl 1 2.085 2 2 -2.35597380770728 25163369 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-] 1 1.129 4 6 0 -20.7060944869824 25163368 CCOC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)OC)OC 1 3.541 2 6 0 -17.4224920606199 25163367 C1C=CCC2C1C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=CC=CC=C3SCC#N 1 1.298 3 5 0 -22.3359915993328 25163366 CCCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCN(CC4)CC)OC 1 2.727 4 6 0 -23.0833825448643 25163365 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NC3CCCCC3C 1 3.328 2 6 0 -25.8383604528672 25163364 COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OCC(=O)N4CCOCC4 1 1.413 3 7 0 -28.0021062752682 25163363 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCCOC3=CC=C(C=C3)C(=O)C)C 1 2.652 2 7 0 -24.9907125578386 25163362 CC1=C(C(=CC=C1)NC(=O)CNC(=O)CN2C(=O)C(NC2=O)(C)CCC(C)C)C 1 2.198 4 4 0 -14.2764925446548 25163361 CC(=O)NCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCCC3 1 1.372 4 4 0 -24.1541166949119 25163360 CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3 1 3.228 4 3 0 -13.6218909499477 25163359 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=COCCO3 1 -0.1 3 8 0 -28.2243770706256 25163358 C1=CC=C(C(=C1)C(=O)NNC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])F 1 1.402 4 7 0 -22.4482576986256 25163357 C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)O)O 1 1.709 1 6 0 -6.40723859968081 25163356 CCC(C1=CC=CC=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.517 2 4 -7.76861013483072 25163355 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3C(F)(F)F)Br 1 3.764 1 5 -17.4923240406697 25163354 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CN=C(C=N3)C 1 -0.282 6 5 0 -17.9143526957888 25163353 CC[C@H](C)[C@@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)NC(=O)OCC3=CC=CC=C3 1 3.969 3 6 0 -16.0772111948205 25163352 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=COCCO3 1 -0.778 4 7 0 -14.7260731429483 25163351 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 0.934 4 7 0 -22.3833615499573 25163350 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CC(C)C3=CC=CC=C3 1 2.051 4 5 0 -13.1824271758638 25163349 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CC3CCCCC3 1 2.016 4 5 0 -13.9139237058683 25163348 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 4.923 4 2 5.43601816215181 25163347 CC(C)CC1=NN=C(S1)NC(=O)C2=COCCO2 1 0.638 3 3 0 -10.2939039268131 25163346 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)OC 1 3.047 2 4 -12.7568360161845 25163345 CC(=NOCC(=O)OCC(=O)N(C)C1=CC=CC=C1)C2=CC3=C(C=C2)OCO3 1 1.993 2 6 0 -10.6454632222968 25163344 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F 1 2.669 3 4 0 -20.5979685060098 25163343 CC1CN(CC(O1)C)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2 1 1.558 2 3 0 -23.7054204985531 25163342 CCC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N(C)CC3=CC4=C(C=C3)OCCO4 1 3.23 3 5 0 -15.6277968065081 25163341 C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 3.863 4 6 0 -25.1067066667704 25163340 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(C=C3)N4CCCC4=O 1 0.703 5 5 0 -17.6839286527029 25163339 CC(C)COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 3.217 3 5 0 -22.5910993091988 25163338 COC1=CC=CC(=C1)CNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.792 3 6 0 -30.8921863115109 25163337 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NNC(=N3)N)C 1 1.27 6 3 0 -17.4376458731975 25163336 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)C2CCCO2 1 2.155 2 3 -16.0011230792011 25163335 CCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)C 1 1.797 4 5 0 -18.5828007667419 25163334 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(C=C3)N4CCCC4=O 1 2.026 5 4 0 -18.2644503469517 25163333 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=C(C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O)OC 1 3.452 3 5 0 -12.3029079093464 25163332 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4 1 4.784 4 2 -5.22392997749251 25163331 CC1=C(OC2=CC=CC=C12)C(=O)NCC(C3=CC=CC=C3OC)N4CCCC4 1 4.314 2 3 -5.56103881710965 25163330 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(N3N)C4=CC=CC=C4OC 1 1.317 8 4 0 -19.5330993993518 25163329 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCCOC3=CC=CC=C3)C 1 2.912 2 6 0 -21.7642640390107 25163328 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 2.209 5 4 0 -14.9982313851738 25163327 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.482 4 6 0 -26.7973252864322 25163326 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 2.181 4 5 0 -31.381546627753 25163325 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=CC=C3Cl)C(F)(F)F 1 2.262 3 6 0 -26.7247017693771 25163324 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC(=O)NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br 1 2.897 4 6 0 -17.913508863971 25163323 CCC(C1=CC=CC=C1)C(=O)OCC2=C(C(NC(=O)N2)C)C(=O)OCC 1 2.287 2 5 0 -20.5228686320343 25163322 CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2OCC3=C(ON=C3C)C 1 3.175 3 4 0 -20.4675919040516 25163321 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3)Cl 1 2.372 3 4 0 -15.5136335558587 25163320 C1=CC=C2C(=C1)C(OC2=O)CC(=O)NNC(=O)C3=CC=C(C=C3)F 1 1.814 2 4 0 -11.2452431468654 25163319 C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)C3=CC(=CC=C3)Br 1 3.738 0 4 -6.86499446367775 25163318 CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.287 3 5 0 -12.1168499516537 25163317 CC1=C(C(=NO1)C)CSCC(=O)NC2=CC=CC=C2N3CCCC3 1 2.52 3 2 -16.7005348478793 25163316 CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CC2=COC3=CC(=C(C=C32)C)C 1 3.523 2 4 -11.5243152245366 25163315 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)COC2=CC=C(C=C2)C#N)OCC 1 3.028 2 6 0 -20.2011492409132 25163314 CCNC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCCC3 1 2.005 4 3 0 -17.4519410676182 25163313 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.82 3 3 -24.4934714982254 25163312 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.987 3 3 -4.41028441495151 25163311 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)N 1 2.936 5 5 0 -15.6680640190041 25163310 CN(CC(=O)NCC(=O)NC1=CC=C(C=C1)F)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 2.464 4 3 0 -11.5795335344887 25163309 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C 1 2.862 2 3 -15.7719666968107 25163308 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.394 1 8 0 -23.9021903870913 25163307 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)/C=C/C3=CC(=C(C(=C3)Cl)OC)OC)C 1 3.607 2 7 0 -16.8547666865299 25163306 CC(C(=O)NC1CC1)SC2=NN=C(N2CC=C)COC3=CC=C(C=C3)OC 1 2.877 4 3 0 -18.1446205582982 25163305 CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)C 1 2.05 3 5 0 -23.8142539995869 25163304 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=C(C=C3)C=O 1 1.068 4 6 0 -16.0546179857762 25163303 CSCCC(C(=O)N1CCCCCCC1)NC(=O)C2=CC=CC=C2 1 2.944 2 2 -20.8262902740174 25163302 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=CC=CC=C3Cl 1 2.441 4 5 0 -8.26886661070897 25163301 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCOC3=CC=C(C=C3)C(C)(C)C 1 2.792 4 6 0 -10.8022350759917 25163300 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC(=S)N3CCCC3 1 2.499 3 4 0 -24.5264882104125 25163299 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3OC 1 0.557 5 4 0 -32.6248351082717 25163298 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)COC3=C(C=C(C=C3)Cl)C)C 1 3.493 2 6 0 -15.5536602584325 25163297 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC=CC=C2N3C=NN=N3 1 0.972 6 2 0 -19.3228847094698 25163296 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NCCC3=CC=C(C=C3)OC 1 3.375 2 4 -15.7010857192981 25163295 CC1=CC=CC=C1OCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCN(CC4)C 1 3.338 4 4 0 -15.7789263938812 25163294 COC1=C(C=CC(=C1)C(=O)NCCC2=CC=CC=C2)OCC(=O)N3CCOCC3 1 1.863 2 5 0 -19.9383098658724 25163293 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3OCC 1 2.843 3 4 0 -20.4574936874354 25163292 CCCCC1=NN=C(S1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C 1 3.04 3 3 -19.297054023558 25163291 CC1=CC(=NN1CC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C)C 1 -0.865 6 5 0 -35.0726134471399 25163290 CC12CCC(=O)N1C(CS2)C(=O)NNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 0.127 3 6 0 -12.3956133639312 25163289 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC3=CC=CC=C3Cl 1 4.305 1 3 -7.2817069568909 25163288 CC1CN(CC(O1)C)C(=O)C2=CC=CC=C2OCC3=C(C=C(C=C3)Cl)Cl 1 4.582 1 3 -9.54400811524498 25163287 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CC3=CC=C(S3)S(=O)(=O)N4CCOCC4 1 0.144 5 6 0 -22.5920094095629 25163286 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 0.699 4 5 0 -15.8386111040019 25163285 CC1(CCS(=O)(=O)C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C43)OC 1 1.502 2 6 0 -25.9463677610835 25163284 COCCCNC(=O)CC1=CC=C(S1)S(=O)(=O)N2CCOCC2 1 -0.113 2 5 0 -24.3514755836171 25163283 CC1=C(OC2=CC=CC=C12)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 5.478 2 2 -0.71578047178446 25163282 CC12CCC(=O)N1C(CS2)C(=O)NNC(=O)COC3=CC=CC=C3F 1 0.216 3 4 0 -10.7390543537256 25163281 CC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 1.089 5 3 0 -16.5907361185169 25163280 CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2CSC3(N2C(=O)CC3)C 1 1.419 3 3 0 -13.564194493906 25163279 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 3.217 2 5 0 -23.3298464008832 25163278 C1=CC=C(C=C1)C(=O)CCC(=O)NCC2=CC(=CC=C2)C(F)(F)F 1 3.519 1 2 -8.30014791478895 25163277 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC(=NC4=CC=CC=C43)Cl 1 3.074 3 4 0 -17.0597911107819 25163276 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CSC2=CC3=C(C=C2)OCCO3 1 2.043 2 5 0 -14.2822233404845 25163275 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O 1 2.237 4 6 0 -13.3107142065852 25163274 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC)C3=CC=CC=C3 1 3.018 3 4 0 -25.9778339274329 25163273 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CC2=CC3=C(CCC3)C=C2 1 2.955 2 3 -9.71250056857212 25163272 CC1=CN=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4C 1 3.584 3 3 -14.5847692729031 25163271 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCCC5 1 2.511 3 4 0 -20.5950994036924 25163270 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CCSC 1 0.952 4 4 0 -22.8339470887702 25163269 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC3 1 1.802 2 4 0 -13.2490709804179 25163268 COC1=CC=CC=C1OCCNC(=O)CCC(=O)N2CCOCC2 1 0.306 2 5 0 -22.5812117064797 25163267 CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 4.002 2 6 0 -19.6975741578391 25163266 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NCCCN2C(=CC(=N2)C)C 1 2.792 4 3 0 -28.0886292657532 25163265 COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3O)OCC(=O)N4CCOCC4 1 1.552 3 6 0 -11.5246886203466 25163264 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=N2)C)S(=O)(=O)N3CCOCC3 1 1.576 3 4 0 -19.2122956402937 25163263 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.741 3 4 0 -9.87732074771277 25163262 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=NN(C(=O)C=C2)C 1 0.935 4 3 0 -13.9703168206618 25163261 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NC(C)C3=CC=C(C=C3)Cl 1 4.112 2 3 -13.4660438592251 25163260 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CSC2=CC=C(C=C2)C 1 2.214 2 5 0 -19.9106805680468 25163259 CCN(CC1=CC=CC=C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.582 3 3 -12.835612088527 25163258 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 4.265 3 3 -5.27490839799159 25163257 CN(C)C1(CCCCC1)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl 1 4.707 3 3 -8.91639517479276 25163256 CCC1=CC=C(C=C1)OCC(=O)NNC(=O)CNC(=O)C2=CC=C(O2)Br 1 1.672 3 5 0 -14.6841717887676 25163255 COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.856 3 6 0 -23.075174944101 25163254 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2CSC3(N2C(=O)CC3)C)C 1 1.22 3 4 0 -15.280784694517 25163253 CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=COCCO2)N 1 -1.356 4 6 0 -12.8315591206672 25163252 CCCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.951 3 3 -22.1171433726235 25163251 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCOC3=CC=C(C=C3)C 1 3.243 3 4 0 -21.2424461784885 25163250 CC1=C(C(=NO1)C)CSCC(=O)NC2=NC3=C(C=C(C=C3S2)F)F 1 2.933 3 2 -13.8286508085472 25163249 C1=CC=C(C=C1)CCNC(=O)COC(=O)CSC2=CC=C(C=C2)Cl 1 3.707 1 3 -11.0522423411931 25163248 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(C=CS2)C3=CC=CC=C3)OCC 1 4.017 2 4 -13.6388072648071 25163247 CC1(CCS(=O)(=O)C1)NC(=O)CC2=CSC(=N2)C3=CC(=CC=C3)Cl 1 2.259 2 3 -4.89686418681261 25163246 CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F 1 3.251 2 5 0 -20.492633951064 25163245 CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 2.644 4 6 0 -27.1648545617023 25163244 CC1CN(CC(O1)C)C(=O)C(CCSC)NC(=O)COC2=CC=CC=C2 1 1.393 2 4 0 -21.4327852904564 25163243 CN(CC1=CC(=C(C=C1)OC)OC)C(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.617 2 7 0 -23.7244747366203 25163242 CN(CC1=CC(=CC=C1)OC)C(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC 1 1.731 2 6 0 -16.1521234450877 25163241 CCC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N(C)CCOC3=CC=C(C=C3)Cl 1 4.158 3 4 0 -10.8651987640882 25163240 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)NNC(=O)COC3=CC=C(C=C3)Br 1 1.372 3 6 0 -18.4662708853331 25163239 CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.604 3 5 0 -8.97119939224753 25163238 COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)OCC(=O)NCC3=CC=CC=C3Cl)OC 1 2.56 2 6 0 -23.4304185136024 25163237 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)OCC 1 3.095 3 5 0 -15.867161501638 25163236 CC1=C(C(=NO1)C)C(=O)N(C)CC(=O)NC2=CC(=CC=C2)OC 1 0.746 3 4 0 -13.1776323883768 25163235 CCC1CCCCN1C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 2.059 3 6 0 -22.0925506023201 25163234 C=CCN(C1=CC=C(C=C1)F)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCC(CC3)O)Cl 1 3.839 2 4 -17.5141252960668 25163233 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2CCCC2 1 3.529 2 3 -3.15240741954434 25163232 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)C(=O)NCC(C3=CC=CS3)N4CCOCC4 1 3.28 3 5 0 -19.3349891984909 25163231 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 3.027 2 5 0 -17.2197815839396 25163230 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 1.166 5 4 0 -14.5120003953119 25163229 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)C(C)(C)C 1 4.317 3 4 0 -12.0932852764786 25163228 CC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)OC 1 1.601 3 7 0 -26.8121887988417 25163227 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CSC4(N3C(=O)CC4)C 1 1.51 3 3 0 -7.31041920648009 25163226 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4 1 4.226 3 3 -0.102864469623908 25163225 CCCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 2.364 4 4 0 -15.8659621628289 25163224 CC1CCCCC1NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O 1 2.584 2 3 -17.2099796812356 25163223 C1CCC(C1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3 1 3.35 4 1 -9.14957915531213 25163222 CC1=CC=CC=C1OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C 1 3.856 2 4 -16.4762023327649 25163221 CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=COCCO3 1 3.363 1 5 -3.08730869915159 25163220 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=C(C=C(C=C4)C)C 1 2.86 4 4 0 -16.6752618465415 25163219 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NNC(=O)C3=CC=CC=C3 1 1.611 4 4 0 -12.2358432839232 25163218 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=NC=C(C(=C3Cl)Cl)Cl)C 1 3.778 3 5 0 -18.3754756275219 25163217 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F 1 2.231 1 6 0 -17.536451302974 25163216 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C 1 0.958 5 7 0 -22.6273564337412 25163215 CC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 3.151 2 5 0 -21.0961866916343 25163214 CC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)S(=O)(=O)N5CCCCCC5 1 2.998 3 4 0 -19.1776088945002 25163213 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CC2=CC(=C(C=C2)OC)OC 1 1.336 2 7 0 -23.9127604310256 25163212 CC1=CC=C(C=C1)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OCC(F)(F)F 1 3.297 2 5 0 -27.8669457860897 25163211 CCN(C1=CC=C(C=C1)NC(=O)CSCC2=C(ON=C2C)C)C(C)C 1 3.134 3 2 -19.949209182108 25163210 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CN2C(=O)C(NC2=O)(C)C3=CC4=CC=CC=C4C=C3 1 1.355 5 5 0 -16.2152406111053 25163209 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.771 2 7 0 -19.2146568249362 25163208 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSCC(=O)NC3=CC=C(C=C3)OC 1 1.188 3 7 0 -25.9868026839083 25163207 CN(C)C(CNC(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CCOC)C4=CC=CC=C4 1 3.629 4 3 0 -32.991892742097 25163206 CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2Cl)N4CCCCCC4=NS3(=O)=O 1 2.881 3 5 0 -14.0805959244118 25163205 CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC 1 4.008 3 4 0 -8.13182750805879 25163204 CC(C)(CNC(=O)CNC(=O)C1CCCCC1)N2CCOCC2 1 0.968 3 3 0 -14.9571556919282 25163203 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-] 1 4.532 4 4 0 -18.6345168060695 25163202 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)Cl 1 2.011 3 6 0 -22.2739032171024 25163201 CN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 2.589 3 4 0 -11.9768863038706 25163200 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)OCC 1 2.339 4 5 0 -17.6999406889637 25163199 COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCCCCC3 1 3.544 2 4 -11.2473708631278 25163198 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)CC3=CC=CS3 1 1.641 3 3 0 -19.4351147653128 25163197 CC1CN(CC(O1)C)C(=O)CCNC(=O)C2=CC=CC=C2OC 1 0.978 2 4 0 -19.4892102649365 25163196 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C 1 2.71 2 7 0 -24.79938315771 25163195 COC1=CC=C(C=C1)C(CNC(=O)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)N3CCOCC3 1 1.47 3 7 0 -24.4786818665769 25163194 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC(=O)N2CCCCC2CC 1 2.273 5 6 0 -24.8684223298617 25163193 COC1=CC=CC(=C1)CC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)Br 1 2.345 2 5 0 -12.0948969855348 25163192 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC(C)C)C 1 1.713 4 7 0 -24.5846956048867 25163191 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=C(C=C3)Br 1 0.953 4 5 0 -23.1360420266317 25163190 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.562 4 7 0 -15.4728085531793 25163189 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CCC2=CC=CC=C2 1 1.825 2 5 0 -21.096165255313 25163188 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CCOC2=CC=CC=C2 1 1.417 2 6 0 -20.7027877165912 25163187 CC1CCCCN1C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 1.535 3 6 0 -20.2279429237447 25163186 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3(CCCCC3)NC2=O)S(=O)(=O)NC4=CC=CC=C4OC 1 2.567 4 6 0 -14.000172132507 25163185 COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)OCC(=O)NC3=CC(=C(C=C3)OC)Cl)OC 1 2.536 2 7 0 -18.3331492995798 25163184 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=O)C3(CCC(CC3)C)NC2=O 1 2.834 3 7 0 -20.9847105793281 25163183 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NC(C)CCC3=CC=CC=C3 1 4.225 2 3 -16.8779564750032 25163182 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CCNC(=O)C2=CC=CC=C2OC 1 1.155 3 5 0 -19.7350139976283 25163181 CC1=NN(C(=C1C(=O)N(C)CC(=O)NC2=CC(=CC=C2)OC)Cl)CC(C)C 1 2.447 4 3 0 -11.1946402456694 25163180 CC1CCCCC1NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C 1 3.927 2 5 0 -28.1473740099354 25163179 CC1=CC(=CC=C1)OCC(=O)NNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 1.933 4 5 0 -14.003667278268 25163178 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)/C=C/C2=CC=C(O2)C 1 1.358 3 4 0 -11.7054022445778 25163177 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.296 3 5 0 -24.8045482621229 25163176 COC1=CC=C(C=C1)CC(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.993 1 6 0 -23.7889885213749 25163175 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N 1 2.003 3 6 0 -17.8499199624211 25163174 CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4 1 4.181 2 4 -19.7714720357168 25163173 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.771 5 4 0 -22.2788478076407 25163172 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC(=CC=C3)NC(=O)C 1 2.772 3 4 0 -15.6694991234385 25163171 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-] 1 1.867 5 5 0 -16.6086796420448 25163170 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 4.059 4 4 0 -5.7289370213629 25163169 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=C(ON=C2CC)C 1 1.739 5 4 0 -19.9198788550332 25163168 CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CC2CCCCC2)N 1 1.438 4 4 0 -13.4043832855342 25163167 CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=C(C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O)OC)N 1 1.33 5 7 0 -12.1491259954836 25163166 CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC3=C(C=C2)N4CCCCCC4=NS3(=O)=O)N 1 0.806 6 6 0 -16.7033791966545 25163165 CC1=CC=C(C=C1)OCCC(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 1.796 4 4 0 -12.3383424391484 25163164 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 1.107 5 6 0 -25.4422431195314 25163163 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)CC2=CC3=C(C=C2)OCCO3 1 2.01 4 5 0 -15.2341281780058 25163162 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC3=C(C=C2)N4CCCCCC4=NS3(=O)=O 1 2.266 6 5 0 -18.0031318956127 25163161 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C 1 3.369 5 5 0 -18.7736744571446 25163160 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC=C(O2)COC3=CC=CC=C3 1 3.23 4 5 0 -14.1960218410758 25163159 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(CC(C)C)C3CCS(=O)(=O)C3 1 2.031 3 5 0 -28.5176508863233 25163158 CCCCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C(CC)N(C)C 1 3.508 5 3 0 -23.6372903763131 25163157 CC12CCC(=O)N1C(CS2)C(=O)NCC3=CC=CC=C3OC 1 0.909 2 3 0 -11.6091595655643 25163156 COCCN(C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3CC(=O)N(C3)CC4=CC=CC=C4 1 2.806 4 5 0 -10.0294910261136 25163155 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC(CC3)C(=O)OCC 1 2.962 2 5 0 -18.9387724105335 25163154 CCN(C1CCCCC1)C(=O)COC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3 1 3.037 3 4 0 -11.9553413698643 25163153 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3NCCO 1 1.714 4 6 0 -18.0332489753363 25163152 CCOC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC(=O)CC3=CC=CC=C3 1 2.675 5 3 0 -22.7283590160205 25163151 CC1CCCCC1NC(=O)C(C)OC(=O)/C=C/C2=CC=CO2 1 3.27 1 4 -12.7282452660274 25163150 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCOC3=CC=CC=C3)C 1 2.591 2 6 0 -19.5810481729015 25163149 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCOC3=CC=CC=C3C)C 1 3.077 2 6 0 -19.0899308374098 25163148 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)CNC(=O)C2CCCCC2 1 2.15 3 3 -14.6199362857035 25163147 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 1.744 4 7 0 -14.0569299588643 25163146 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C 1 -0.325 4 6 0 -25.7442743991695 25163145 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCC3=CC=C(C=C3)OC 1 1.783 4 6 0 -13.9242616850196 25163144 CC1CCCC(N1C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C 1 2.911 2 5 0 -13.4273851489887 25163143 CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.035 3 7 0 -27.3929734115635 25163142 CCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 2.848 2 5 0 -29.6209470657691 25163141 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 3.084 2 7 0 -25.247095371934 25163140 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 1.817 4 4 0 -10.7283186909486 25163139 CC(C)CC(C(=O)NC1=CC(=C(C=C1)N2CCOCC2)S(=O)(=O)NC3=CC=C(C=C3)OC)NC(=O)N 1 1.837 5 6 0 -16.4232500090736 25163138 CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)SC(C)C(=O)NC3CC3 1 3.38 4 2 -16.4945349888157 25163137 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2CCCC2 1 2.652 2 2 -10.4468607121956 25163136 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCCC3 1 3.411 2 3 -15.6112284764488 25163135 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CCCOC2=CC=C(C=C2)Br 1 4.392 2 3 -17.4392445336457 25163134 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CC2=C(N=C(S2)C)C3=CC=C(C=C3)F 1 3.835 3 2 -9.35506474122936 25163133 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)OC3=CC4=C(C=C3)C=CC(=O)O4 1 2.327 2 6 0 -10.5695315259513 25163132 CC1=C(C=C(C=C1)OCC(=O)NNC(=O)C2CCC2)C 1 2.229 2 3 -7.07186912753669 25163131 CC1=C(SC=C1)C(=O)N(C)CC(=O)NC2=CC=CC=C2Br 1 3.068 2 2 -12.7786805317214 25163130 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)CSCC3=C(ON=C3C)C 1 1.561 4 5 0 -29.3345480321028 25163129 CC1=NC=C(N=C1)C(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 3.07 2 3 -15.0976042506575 25163128 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.876 2 3 -11.6516379568885 25163127 CC1CCCCC1NC(=O)C(C)OC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)C 1 3.83 2 4 -18.0720493873463 25163126 CSCCC(C(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Br 1 3.872 3 2 -11.7094345254953 25163125 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-] 1 1.702 4 6 0 -22.0948035696404 25163124 CN(CC1=CC=C(C=C1)OC(F)F)C(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 2.456 2 6 0 -17.9673888473034 25163123 CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N(C)CC(=O)NC3=CC(=CC=C3)OC 1 2.853 3 3 -8.04218483604026 25163122 CC1=CC=C(C=C1)NC(=O)CSCC(=O)N(C)CCOC2=CC=C(C=C2)Cl 1 3.48 2 3 -9.87841789757187 25163121 CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4CCCO4)C 1 4.204 3 3 -25.6075941315938 25163120 CCC1=CC=CC(=C1NC(=O)COC(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC)C 1 3.317 2 6 0 -20.8709724504378 25163119 COC1=C(C=C(C=C1)CCNC(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC 1 1.907 3 8 0 -25.442619049616 25163118 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=CC=CC(=C3)C(F)(F)F 1 3.515 3 4 0 -10.6459255702549 25163117 CC1=C(C=C(C=C1)SCC(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)C 1 1.824 1 5 0 -19.3546382904128 25163116 C1=COC(=C1)C(=O)NNC(=O)CN2C=CC(=N2)C(F)(F)F 1 1.139 4 3 0 -10.6189873093705 25163115 CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CON=C(C)C2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4 1 1.563 3 9 0 -26.3327529337108 25163114 CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C 1 3.944 5 3 0 -2.51737890278206 25163113 CC1=NN=C(N1C)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.286 5 3 0 -15.308744121079 25163112 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CC2CCCC2)OCC 1 2.796 2 4 -19.1736024056063 25163111 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 1.414 3 5 0 -21.4343723783523 25163110 C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.177 3 5 0 -15.9506313169547 25163109 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC=C(O2)COC3=CC=CC=C3 1 2.904 2 5 0 -10.0733415780548 25163108 CC12CCC(=O)N1C(CS2)C(=O)N(C)CC3=CC(=C(C=C3)OC)OC 1 1.099 2 4 0 -11.3028075735542 25163107 CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)N(C)CCOC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 2.36 4 6 0 -11.9648447314115 25163106 CCC1=NOC(=C1C(=O)N(C)CC(=O)NC2=CC(=CC=C2)OC)C 1 1.413 3 4 0 -16.2507563667918 25163105 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CCNC(=O)C2=CC=CO2 1 1.343 3 4 0 -20.7934798486707 25163104 CCC1=CC2=C(C=C1)C(=CO2)CC(=O)NNC(=O)C3=CC=NC=C3 1 2.001 3 3 -7.93610112581398 25163103 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=NCCS2 1 2.042 3 2 -14.1727754462966 25163102 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)/C=C/C3=C(C=CC(=C3)OC)OC)C 1 2.942 2 7 0 -16.5680032448051 25163101 COC1=C(C=CC(=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)Br)OCC(=O)N3CCOCC3 1 1.375 3 7 0 -20.0887692911657 25163100 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CSC3=CC(=C(C=C3)C)C)C 1 3.873 2 5 0 -19.7131100431168 25163099 CN(CC1=CC=CC=C1)C(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 1.239 2 5 0 -15.9336278928598 25163098 CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2)C3=CC=CC=C3 1 3.283 3 3 -11.8093584633731 25163097 C1CCC(CC1)(CNC(=O)C2=CC=CO2)N3CCCCC3 1 3.203 2 2 -8.34965076900614 25163096 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCCC3=O)C)C 1 2.288 3 4 0 -29.7689113645019 25163095 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F 1 4.944 2 3 -12.914839874463 25163094 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.541 3 5 0 -17.4503919872268 25163093 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC 1 2.226 4 5 0 -18.7084883416546 25163092 CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 4.814 3 3 -14.6511360795889 25163091 CC1=CC(=CC=C1)NC(=O)CSCC(=O)N(C)CC2=C(C(=CC=C2)OC)OC 1 2.734 2 4 -11.1779398518309 25163090 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)N 1 0.336 5 7 0 -24.2685220872627 25163089 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCC3 1 2.489 2 3 -11.4028448823189 25163088 CC(=NNC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2)C3=CC(=CC=C3)Br 1 2.963 4 2 -12.9624834480517 25163087 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3OCC4=C(ON=C4C)C 1 3.655 3 4 0 -13.6492036432193 25163086 COC1=CC=CC(=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.033 3 5 0 -21.6715122368824 25163085 COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F)N4CCCCC4 1 4.383 3 4 0 -16.7193939737323 25163084 CC1=CC(=C(S1)C)C(=O)CCC(=O)N(C)CC2=C(C=C(C=C2)OC)OC 1 2.703 1 4 -8.07515218596092 25163083 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OC(C)C(=O)C2=CC=C(C=C2)CC 1 3.872 4 6 0 -17.3026304229788 25163082 CN(CC1=CC=C(C=C1)Cl)C(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 3.76 2 2 -11.5276082299476 25163081 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)OCC 1 2.898 2 6 0 -27.6939894774746 25163080 CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)NC3=C(C=CC(=C3)F)F)C 1 2.776 3 2 -14.2926019706531 25163079 CC1CN(CC(O1)C)C(=O)CSCC2=NC3=C(C(=C(S3)C)C)C(=O)N2 1 1.437 3 3 0 -20.5847147747576 25163078 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 0.803 3 8 0 -33.5292345745923 25163077 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 2.15 3 5 0 -20.4117676206897 25163076 CCC(=O)C1=CC=C(C=C1)OCC(=O)N(CC)CC2COC3=CC=CC=C3O2 1 3.298 1 5 -15.0124031813796 25163075 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(N=CC=C2)SC3=C(C=C(C=C3)C)C)OCC 1 5.024 3 4 0 -16.4037910847475 25163074 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.037 4 4 0 -19.3548745124625 25163073 CSCCC(C(=O)N1CCCC(C1)C(F)(F)F)NC(=O)C2=CC=CO2 1 1.898 2 3 0 -16.7058940625496 25163072 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=C(C4=CC=CC=C4O3)C 1 2.39 4 6 0 -6.21911280585211 25163071 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)NC(C)C3=CC=C(C=C3)S(=O)(=O)N 1 2.685 3 5 0 -13.940116215376 25163070 CC1=CC=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.16 3 6 0 -27.5291754158315 25163069 COC1=CC=C(C=C1)C(CNC(=O)CNC(=O)C2=CC(=CC=C2)Cl)N3CCCC3 1 2.957 3 3 -17.2259271197034 25163068 CC(C(=O)N(C)C1CCCCC1)OC(=O)CNC(=O)C2=CC=CC=C2OC 1 2.336 2 5 0 -15.5137490332618 25163067 C1CN(CCN1C(=O)CCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl 1 2.371 4 4 0 -20.8837770143914 25163066 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=CC3=C(C=C2)OCO3 1 1.117 3 5 0 -16.4997889975228 25163065 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2CC(=O)N(C2)CC3=CC=CO3)OCC 1 1.005 3 6 0 -24.117748828159 25163064 COC1=CC=CC=C1N2CC(CC2=O)C(=O)NCCC3=CCCCC3 1 2.62 2 3 -17.0230421271994 25163063 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CSC4(N3C(=O)CC4)C 1 0.336 3 6 0 -25.646002035954 25163062 CCOC1=C(C=CC(=C1)C(=O)NC2=CC(=CC(=C2)OC)OC)OCC(=O)N3CCOCC3 1 1.851 2 7 0 -21.0017995006793 25163061 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CCC(=O)C2=CC=C(C=C2)C 1 1.775 2 6 0 -22.0452067616593 25163060 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)COC2=CC=CC(=C2C)C 1 2.141 2 6 0 -18.8385825110462 25163059 CC1(CCS(=O)(=O)C1)NC(=O)/C=C/C2=NC3=CC=CC=C3S2 1 1.709 2 3 0 -4.54633699364162 25163058 CC1=CC=C(O1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3 1 2.64 4 2 -4.67163510687018 25163057 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CC3=CC(=C(C=C3)OC)OC)C 1 2.509 2 7 0 -22.9308587915575 25163056 CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.308 3 3 -22.2064649408402 25163055 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 2.749 3 3 -4.61624093374052 25163054 CN(CC1=CC=C(C=C1)SC)C(=O)C(CCSC)NC(=O)COC2=CC=CC=C2 1 3.075 2 3 -11.1632693705818 25163053 CC(=O)N1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC 1 0.315 3 4 0 -22.1470819879655 25163052 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N(C)C)OC)C 1 2.802 5 4 0 -7.27297978070245 25163051 CSCCC(C(=O)N1CCCCC1)NC(=O)C2=CC=CC=C2Cl 1 2.696 2 2 -19.5332584174763 25163050 CC[C@H](C)CC1=CN(N=N1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)N5C=C(N=N5)C 1 6.389 19 8 0 -25.9124081595068 25163048 CCN(CC)C1=CC=C(C=C1)C=NN2CC(=O)NC2=S 1 2.572 4 1 -10.2484420705931 25163047 C1=CC(=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N)N 1 1.372 4 3 0 -2.55578486463221 25163046 C1=CC(=CC(=C1)N)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N 1 1.372 4 3 0 -3.03944755399251 25163045 C1CCC(CC1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N 1 2.724 3 3 -5.85864025367857 25163044 CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N 1 2.604 3 3 -3.25379273698346 25163043 CCC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)NCCCNC(=O)OC(C)(C)C 1 3.745 4 3 0 -20.7549913309046 25163042 CC1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl 1 2.609 4 4 0 -5.55610948905346 25163041 COC1=CC=C(C=C1)C2=CN(C(=N2)C3=CC=NC=C3)CCC(=O)O 1 2.357 3 3 -0.940516169107176 25163040 CC1=NC(=CN1CCC(=O)O)C2=CC=C(C=C2)OC 1 1.844 2 3 0 -2.75320879899345 25163039 C1=CC(=CC=C1C2=CN(C(=N2)C3=CC=NC=C3)CCC(=O)O)Cl 1 3.038 3 2 1.29444873062378 25163038 CC1=CC=C(C=C1)C2=CN(C(=N2)C3=CN=C(C=C3)Cl)CCN 1 3.175 4 0 1.90224314315273 25163037 CC1=CC=CC=C1C(=NOC(=O)CCCOC2=CC=C(C=C2)OC)N 1 3.261 2 4 -4.66231592911485 25163036 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)[O-])C)(C)C(=O)[O-].[Na+] Na+ 1 2.933 0 7 0 -11.4201154559954 25163034 CCCCC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)[C@H](CCCC[NH3+])N5C=C(N=N5)CCC(=O)O)NCCOCCOCCOCC#C.[Cl-] Cl- 1 -0.651 16 7 0 -22.6487265963773 25163033 CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC2=CC=CC(=C2)[N+](C)(C)C.[Br-] Br- 1 4.221 4 4 0 -8.14332300363088 25163032 C1=C(C(=CC2=C1N=C(C(=N2)[O-])[O-])[N+](=O)[O-])C#N.[Na+] Na+ 1 0.255 4 4 0 -4.18026677760393 25163031 CCOC1=CC=CC=C1OCCCC(=O)ON=C(C2=CC=CC=C2)N 1 3.124 2 4 -4.84106033534952 25163030 C(CN)CS(=O)(=O)O.O.[Na+] H2O Na+ 1 -1.181 1 3 0 -6.31884299742186 25163029 CCCN(CC1=NN=C(O1)C2=CC=CS2)C(=O)CN3C(=O)C4(CCC(CC4)C)NC3=O 1 2.392 5 4 0 -21.18389035096 25163028 COC1=CC=C(C=C1)OCCCC(=O)ON=C(C2=CC=CC=C2Cl)N 1 3.439 2 4 -3.67450032464761 25163026 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 1.434 3 3 0 -15.8801036839911 25163025 C[C@H](C(C(=O)N1CCNCC1)N2C=C(N=N2)[C@H](CCCCN)N)O 1 -1.601 7 2 0 -16.925736530862 25163024 C1CN(CCN1)C(=O)[C@H](CC(=O)N)N2C=C(N=N2)[C@H](CC(=O)N)N 1 -3.505 8 3 0 -18.117210760238 25163023 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)N4C=C(N=N4)CCCSC)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCCN=C(N)N 1 7.13 19 8 0 -32.5469427308833 25163022 CC[C@H](C)CC1=CN(N=N1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)N5C=C(N=N5)CCCCN=C(N)N 1 8.719 20 7 0 -30.5818414167058 25163021 CC1=CN(N=N1)[C@H]([C@H](C)O)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)N5C=C(N=N5)CCO)NCCOCCOCCOCC#C 1 4.724 17 9 0 -24.6768315295575 25163020 C[C@H](CC1=CN(N=N1)CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)CN5C=C(N=N5)CCCCCN)NCCOCCOCCOCC#C)O 1 5.244 17 8 0 -30.1730132576925 25163019 CC[C@H](C)CC1=CN(N=N1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)CC)N5C=C(N=N5)CCCCCN 1 8.719 20 7 0 -29.8069972767118 25163018 CSCCCC1=CN(N=N1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(=O)O)N5C=C(N=N5)CCCCCN)NCCOCCOCCOCC#C 1 3.644 17 10 0 -31.4295262066085 25163017 CC1=NC2=C(C=C(C=C2)OC)C(=C1)NN=CC3=CC=CC=C3 1 3.901 3 1 5.2733499047406 25163016 CCOC1=CC=CC=C1C=NNC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.472 3 2 -7.38485149250924 25163015 C1=CC=[N+](C=C1)CC(=O)NN=CC2=C(C=CC(=C2)Br)F.[Cl-] Cl- 1 3.093 3 1 -3.18330137086974 25163014 CCC1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)OCC.Br Br- 1 3.055 4 1 -6.68687475350704 25163013 CC[C@H](C)[C@H]1C(C=C[C@]2(O1)CC3C[C@H](O2)CC=C(C(C(C=CC=C4CO[C@H]5[C@@]4([C@@H](C=C(C5O)C)C(=O)O3)O)C)O[C@H]6CC(C(C(O6)C)O[C@H]7CC(C(C(O7)C)O)OC)OC)C)C 1 4.692 0 14 0 -10.7318570779755 25163012 CC(=O)C[C@H]1CCCC(=O)[C@]1(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.706 0 4 -6.01569054187584 25163011 CC(=O)C[C@H]1CCCC(=O)[C@]1(C)S(=O)(=O)C2=CC=CC=C2 1 2.151 0 4 -7.96529623861032 25163010 C[C@H](CC=C)CC(=O)C(CCCN=[N+]=[N-])SOOC1=CC=CC=C1 1 5.423 3 3 -7.21829697632512 25163009 CC1=C(SC=[N+]1CC(=O)C2=CC=C(C=C2)Br)CCOC(=O)C3C4CC5CC(C4)CC3C5.Br Br- 1 6.269 1 3 0.834769995704587 25163007 CSCCCC1=CN(N=N1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)CN5C=C(N=N5)CCCCCN)NCCOCCOCCOCC#C 1 5.936 17 8 0 -38.8045173888304 25163006 CC[C@H](C)CC1=CN(N=N1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)N5C=C(N=N5)C 1 6.979 17 8 0 -25.3174339897318 25163005 C[C@H](CC1=CN(N=N1)CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)N5C=C(N=N5)CCO)O 1 5.111 16 9 0 -36.6596811233277 25163004 CC[C@H](C)CC1=CN(N=N1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(=O)O)N5C=C(N=N5)CCCCCN)NCCOCCOCCOCC#C 1 5.233 18 9 0 -29.2537720058655 25163003 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)N4C=C(N=N4)CCCC(=O)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCCCN 1 5.301 18 9 0 -34.466626815218 25163002 CC1=CN(N=N1)[C@H]([C@H](C)O)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)N5C=C(N=N5)CCCC(=O)O)NCCOCCOCCOCC#C 1 2.971 17 10 0 -31.3287127461274 25163001 CC1=CN(N=N1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)N5C=C(N=N5)C 1 5.148 17 8 0 -25.1508410862138 25163000 CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CCCCCCCCCCNC(=O)CN4C=C(N=N4)C[C@@H](C)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCCCN 1 7.027 17 8 0 -37.4027015703711 25162999 C[C@H](CC1=CN(N=N1)CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(=O)O)N5C=C(N=N5)CCCCCN)O 1 2.951 17 10 0 -39.0277489337723 25162998 CC1=CN(N=N1)[C@H]([C@H](C)O)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)CN5C=C(N=N5)C[C@@H](C)O)NCCOCCOCCOCC#C 1 4.697 16 9 0 -32.7887864041625 25162997 CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)N4C=C(N=N4)C)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCCCN 1 7.478 18 7 0 -29.9005775113699 25162996 CC1=CN(N=N1)[C@H]([C@H](C)O)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)N5C=C(N=N5)CCCSC)NCCOCCOCCOCC#C 1 5.39 16 9 0 -27.8264293693349 25162995 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)N4C=C(N=N4)C)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCCN=C(N)N 1 6.888 20 7 0 -31.4831768038277 25162994 CC[C@H](C)CC1=CN(N=N1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)N5C=C(N=N5)CCO 1 6.803 19 8 0 -27.6934593478848 25162993 CC(C)[C@@H](C1=CN(N=N1)[C@@H](CO)C(=O)N2CCNCC2)N 1 -1.057 6 2 0 -16.4306118206852 25162992 CC[C@H](C)C(C1=CN(N=N1)C(CCCN=C(N)N)C(=O)N2CCNCC2)N 1 -0.382 9 1 0 -21.7662012997212 25162991 C1CN(CCN1)C(=O)[C@H](CCCCN)N2C=C(N=N2)CN 1 -1.575 7 1 0 -18.3094551056501 25162990 CC1=CN(N=N1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)N5C=C(N=N5)CCCSC 1 5.821 17 8 0 -28.6923661121231 25162989 C1CN(CCN1)C(=O)[C@H](CCC(=O)O)N2C=C(N=N2)C(CCCCN)N 1 -4.093 7 3 0 -21.6884930289442 25162988 CC(C)[C@@H](C1=CN(N=N1)[C@@H](CC(=O)N)C(=O)N2CCNCC2)N 1 -1.415 7 2 0 -18.7681471284058 25162987 C1CN(CCN1)C(=O)[C@H](CCCCN)N2C=C(N=N2)[C@H](CC(=O)N)N 1 -2.337 8 2 0 -19.817519796568 25162986 C[N+](C)(CC=C)C1=CC=C(C=C1)CCC(=O)CCC2=CC=C(C=C2)[N+](C)(C)CC=C.[Br-] Br- 1 2.864 2 1 -7.35229755857298 25162985 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])[O-])O)O)O.[Na+] Na+ 1 -2.476 3 10 0 -21.1997127519767 25162984 CCC1CCC2[C@@H](C([C@H](C3(O2)CC[C@H](C(O3)C[C@H](C)O)C)C)OC(=O)C=C[C@H]([C@@H]([C@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@@]([C@@H]([C@H](CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C 1 6.227 0 11 0 -8.24038307159402 25162983 C1=CC2=C3C(=CC(=C2C(=C1)S(=O)(=O)N)[N+](=O)[O-])N=C(C(=N3)[O-])[O-].[Na+] Na+ 1 -1.e-002 4 6 0 -7.1729689518251 25162982 C=CC[N@@+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6C4/C(=C\N7C8/C(=C6)/[C@@H]9/C(=C/CO)/C[N@+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)CC=C)/[C@@H](C3)/C(=C/CO)/C1)CC2.[Cl-] Cl- 1 1.485 4 2 0 -4.93414334003664 25162981 CC[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H]3CCC(C4=CC=CC=C34)(C5=CC=CC=C5)C(=O)OC6C[C@H]7CC[C@@H](C6)[N+]7(C)CC)C.[Cl-] Cl- 1 2.859 2 4 -5.72404922096065 25162980 C[N+]1([C@H]2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[N+](=O)(O)[O-] NO3 1 0.366 1 3 0 -8.27169068171498 25162979 CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2C[C@H]([C@H]3CC[C@@]45C[C@H](CC[C@H]4[C@@]3(C2)C)C(=C)[C@@H]5O)C(=O)O)CO)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+] K+ 1 -2.748 0 16 0 -21.8236582800073 25162975 CC1=CC=CC=C1NC(=O)C=NOCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 1.855 4 6 0 -9.05248431341663 25162974 CC(=NNC(=O)COC1=CC(=CC=C1)Br)C2=CC=C(C=C2)N3CCOCC3 1 3.097 3 3 -6.6611115336559 25162973 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2F)C3=CC4=C(C=C3)OCCO4 1 1.703 3 5 0 -11.1398463097905 25162972 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CCC4=CC=CC=C4 1 3.259 4 3 0 -17.7544705905948 25162971 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5 1 3.979 3 4 0 -6.0439512695653 25162970 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 2.362 3 3 -15.2775583155761 25162969 CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C(NC2=O)(C)C3=CC4=CC=CC=C4C=C3 1 1.459 4 5 0 -6.60128678643753 25162968 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3.Cl Cl- 1 1.689 3 3 0 -4.61691230844222 25162967 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CO5 1 3.311 3 4 0 -7.10175672427146 25162966 C1CC(OC1)CNC(=O)CSC2=NN/C(=C\3/C=NC4=CC=CC=C43)/O2 1 1.975 4 3 0 -20.7876711276268 25162965 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)C(=O)NC3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 3.689 3 4 0 -9.2840689891303 25162964 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC)S(=O)(=O)N4CCCCC4.Cl Cl- 1 3.377 3 4 0 -16.2383569398444 25162963 CN1CCN(CC1)C(=O)/C(=C/C2=CC=CC3=CC=CC=C32)/NC(=O)C4=CC=C(C=C4)OC 1 3.05 3 3 -12.4861527202669 25162962 CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3.Cl Cl- 1 2.037 3 3 -6.22356821189309 25162961 C1CN2C(=C3C=CC(=CC3=N2)[N+](=O)[O-])C(=N1)C4=CC(=C(C(=C4)Cl)N)Cl 1 4.068 5 2 0 3.66146787310003e-002 25162958 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CN=CC=C3.Cl Cl- 1 2.438 3 3 -8.27173895953385 25162957 CC1=C(SC=[N+]1CC2=CC=C(C=C2)[N+](=O)[O-])CCOC(=O)CC34CC5CC(C3)CC(C5)(C4)C.Br Br- 1 6.148 2 4 1.05789016270163 25162955 C1=CC=C(C=C1)C2C(C(C2C(=O)[O-])C3=CC=CC=C3)C(=O)[O-].[Na+] Na+ 1 -0.186 0 4 0 -2.52354303770135 25162954 C1=CC=[N+](C=C1)CC(=O)NN=CC2=CC=C(C=C2)C(=O)O.[Cl-] Cl- 1 1.769 3 3 0 -8.94925623629207 25162953 C1CCN(C1)CC#CCN2CCCC2.Br Br- 1 1.971 2 0 0 1.60382212317884 25162952 CC1=CC=CC(=C1)C=NNC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.625 3 1 -5.55938424139411 25162951 CN(C)N=C1C2=CC=CC=C2N(C1=O)CN3CCN(CC3)C4=CC=CC=C4 1 2.601 5 1 3.47592555446207 25162950 C1=CC=[N+](C=C1)CC(=O)NN=CC2=CC=C(C=C2)Br.[Cl-] Cl- 1 2.888 3 1 -6.61858957406662 25162949 COC1=CC=C(C=C1)C=NNC(=O)CNS(=O)(=O)C2=CC=CC=C2 1 1.429 3 4 0 -12.8478448739404 25162948 CN(CC(=O)NN=CC1=C(C(=CC=C1)OC)OC)S(=O)(=O)C2=CC=CC=C2 1 1.619 3 5 0 -10.9169561811807 25162947 CCOC(=O)C1(CCN(CC1)CCC(=O)NC2=CC(=CC=C2)Br)C3=CC=CC=C3.Cl Cl- 1 4.078 2 3 -3.60041535862015 25162945 C1=CC=C(C=C1)C(=N/N=C/2\C=C(C=CC2=O)S(=O)(=O)[O-])NNC3=CC=CC=C3C(=O)O.[Na+] Na+ 1 6.3e-002 4 6 0 -7.34851976376648 25162943 CC(=NOC1=CC(=CC(=C1)[N+](=O)[O-])N)C2=CC=CC=C2OC 1 2.57 3 4 0 -3.40047340244209 25162940 CC1=CC=C(C=C1)S(=O)(=O)NC2CC(N(C(C2)(C)C)O)(C)C.Cl Cl- 1 1.908 2 3 0 -5.39364347818694 25162938 CCOC1=CC=C(C=C1)OCCCC(=O)ON=C(C2=CC=CC=C2C)N 1 3.61 2 4 -5.28503467629144 25162937 CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC3=CC4=C(C=C3)C=C(C=C4)Br 1 3.744 2 3 -10.1354148662448 25162936 CC1=CC=C(C=C1)OCCCC(=O)ON=C(C2=CC=CC=C2C)N 1 3.764 2 3 -4.29236974310496 25162935 CCOC1=CC=C(C=C1)OCCCC(=O)ON=C(C2=CC=CC=C2Cl)N 1 3.788 2 4 -4.2972190718242 25162934 CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C)N 1 2.742 7 3 0 -18.2906330643235 25162933 CCCN(CC1=NN=C(O1)C2=CC=CS2)C(=O)CN3C(=O)C4(CCCCC4)NC3=O 1 2.141 5 4 0 -20.2666599413667 25162929 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(O3)C=NNC(=O)N 1 1.244 6 4 0 -8.70119473880318 25162928 CC(=NOCC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)C)Cl)C2=CC3=C(C=C2)OCO3 1 1.978 2 8 0 -16.210699650204 25162926 CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)[O-])CCC(=O)[O-])C)C=C)C)C=C.[Na+] Na+ 1 5.347 4 4 0 0.930146707089792 25162922 C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)[O-])N)C(=O)NCC(=O)[O-])[C@@H](C(=O)O)N.[Na+] Na+ 1 -12.333 6 12 0 -26.2594074244223 25162919 C1C[C@]2([C@@H]([C@H](C[C@@H](O2)CCO)O)O)OCC3=CC=CC=C31 1 0.364 0 5 0 1.83124271084556 25162918 C1=CC(=CC=C1CNCC2=C(C=CC(=C2)Cl)O)Cl 1 4.037 1 1 10.4055757774065 25162916 C1CN(CCC1[NH+]2CCOCC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 0.229 3 4 0 -11.0878636232527 25162914 C1CC[NH+](C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 1.002 3 3 0 -9.69346843917626 25162912 CC(C)[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 1.114 3 3 0 -9.08687894843109 25162911 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C(NC3=O)(C)CCC(C)C)C 1 2.351 4 5 0 -19.2963458439743 25162910 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NNC(=O)C3=CSC(=N3)N4CCOCC4 1 1.987 5 5 0 -9.38791755580061 25162909 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)/C=C/C3=CC=CC=C3F)C 1 3.18 2 5 0 -15.2034047092925 25162908 CN(CC1=CC=C(C=C1)OC(F)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 3.007 2 6 0 -17.0576032916347 25162907 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)N 1 1.107 5 6 0 -22.9718108120977 25162906 CCOC(=O)C1CCCN(C1)C(=O)C(CCSC)NC(=O)COC2=CC=CC=C2 1 1.761 2 5 0 -21.9312798857163 25162905 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl)N 1 2.451 5 5 0 -16.1189876761242 25162904 C1COCCN1C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F)C4=CC=CS4 1 3.016 3 4 0 -14.7708996693537 25162903 COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCN3C=CN=C3 1 1.313 4 4 0 -11.7563580807982 25162902 CC1CCC2=C(C1)C=C(S2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCOCC4 1 4.048 2 3 -16.9784358416502 25162901 CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)CSCC(=O)NC2=CC=C(C=C2)Cl 1 3.136 2 4 -9.87566445033328 25162900 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CCCC2=CNC3=CC=CC=C32 1 2.59 4 3 0 -21.2182999832533 25162899 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N(C)C 1 2.704 2 3 -6.1073095282496 25162898 CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 3.634 2 3 -9.09675527022496 25162897 CC1=CC=C(C=C1)SCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2 1 3.386 2 3 -12.8310074679355 25162896 C1=COC(=C1)CNC(=O)COC(=O)CSC2=CC=C(C=C2)F 1 2.109 1 4 -14.0925892879434 25162895 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC 1 1.818 3 7 0 -23.5453478025328 25162894 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 3.137 2 5 0 -11.4803784028548 25162893 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CCCC2=NC3=CC=CC=C3S2 1 2.365 4 3 0 -17.3082077238029 25162892 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)COC3=CC=CC(=C3)C(F)(F)F 1 3.341 2 5 0 -3.69676432279306 25162891 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)CC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 2.283 4 4 0 -20.4141715093984 25162890 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NCCC3=CCCCC3 1 3.13 2 2 -18.283898168967 25162889 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCOCC4 1 3.92 3 5 0 -16.4154804848 25162888 CC1CCN(CC1)C(=O)C(C)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 2.892 2 5 0 -15.5372286136878 25162887 CCN(CC)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.023 2 7 0 -25.2510142349907 25162886 CC1=CC(=CC=C1)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 4.048 1 3 -12.6329749479026 25162885 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)/C=C/C3=CC=CC=C3 1 3.059 1 5 -12.8133590079343 25162884 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC(C3)C(F)(F)F)Cl 1 3.33 2 3 -17.1866381149607 25162883 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)CC(=O)NC3=CC=CC=C3Br 1 3.448 3 5 0 -12.8411595273084 25162882 CCOC1=C(C=CC(=C1)C(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)C)OCC(=O)N4CCOCC4 1 4.159 2 5 0 -17.0654157901016 25162881 COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC=C)C3=CC=CC=C3)N4CCCCC4 1 5 3 4 0 -29.3424902288996 25162880 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 2.487 3 3 -16.2324102226355 25162879 COC1=CC=CC(=C1)CNC(=O)CCS(=O)(=O)C2=CC=CC=C2Cl 1 2.895 1 4 -18.3716531708025 25162878 C1CC1N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C(=O)C4=COCCO4 1 1.387 3 4 0 -6.36850944136914 25162877 CN1C=CC=C1C(=O)NCC2=CC=CC=N2 1 1.277 3 1 0 -8.96228588593282 25162876 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCOC3=CC=C(C=C3)C(C)(C)C 1 3.235 2 6 0 -21.1768043123089 25162875 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=CC=CC3=CC=CC=C32 1 2.258 3 3 -11.9954561902781 25162874 CNC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 1.562 4 4 0 -14.9686110449278 25162873 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 0.122 3 9 0 -35.0570127836155 25162872 CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)CC2C(=O)NC3=CC=CC=C3S2 1 2.602 2 4 -12.8775867163184 25162871 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCC(=O)C3=CC=CC=C3 1 1.264 4 6 0 -16.2997013116974 25162870 C1CCC(=CC1)CCN(C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C(=O)COC4=C(C=C(C=C4)F)Cl 1 4.285 4 4 0 -8.95464352543675 25162869 CC1=NC(=CC=C1)NC(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC 1 1.206 3 5 0 -16.2657327027843 25162868 CC1=CC=C(C=C1)C(=O)NCC(=O)N2CCCCCCC2 1 2.619 2 2 -11.6030486642786 25162867 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.271 3 7 0 -18.3084608788197 25162866 CC(C(=O)NNC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-])OC3=CC=CC=C3F 1 1.833 6 5 0 -16.6273526412006 25162865 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)OC(F)F)OC)C 1 3.764 2 7 0 -17.6683738284664 25162864 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=C(C=C(C=C3)O)O 1 0.824 4 7 0 -8.35304470366549 25162863 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N4CCCC4)C 1 2.54 4 5 0 -20.459242985195 25162862 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)NC(=O)CC2=CC=CC=C2)[N+](=O)[O-] 1 2.065 3 7 0 -18.6009142008754 25162861 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC3=C(C=C2)N4CCCCCC4=NS3(=O)=O)OCC 1 2.621 4 6 0 -20.3974562928316 25162860 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)/C=C/C3=CC=C(C=C3)OCC=C)C 1 3.575 2 6 0 -21.5303503520053 25162859 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.086 3 3 -9.98024932103266 25162858 C1CC(=O)N(C1)CCCNC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 0.483 3 5 0 -26.0149999082037 25162857 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=CC=C3NCC4=CC=CO4 1 1.883 5 6 0 -15.5837314447133 25162856 CC1=C(C=C(C=C1)S(=O)(=O)N2CC(C[C@H]2C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)O)C 1 2.232 3 6 0 -9.04016841903216 25162855 C1=CC(=CC(=C1)OCC(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C(F)(F)F 1 2.132 2 6 0 -14.8870686854479 25162854 CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)C4=CC=C(C=C4)OC 1 3.997 3 4 0 -20.4813558349284 25162853 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CC=C3OC)N4CCCC4 1 4.276 3 4 0 -22.4441986165232 25162852 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C 1 3.688 3 4 0 -22.431634844018 25162851 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CN2C(=O)C3CCCCC3C2=O)OCC 1 1.446 3 6 0 -21.560218864108 25162850 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C 1 1.306 5 7 0 -23.7410868025768 25162849 CC1=CC(=NC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.589 3 2 -11.7530316852589 25162848 COC1=CC=C(C=C1)C(CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl)N3CCCC3 1 3.769 3 3 -26.4600086604148 25162847 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCOC3=CC=CC=C3 1 1.392 4 6 0 -14.16163469912 25162846 CC1CCCCC1NC(=O)C(C)OC(=O)CNC(=O)C2=CC=C(C=C2)Br 1 3.215 2 4 -18.7348781552198 25162845 CC1(CCS(=O)(=O)C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.041 1 5 0 -15.8604626776262 25162844 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2=CC3=C(C=C2)N=CS3 1 2.82 3 3 -17.9887016404575 25162843 CSCCC(C(=O)NCC1=CC=NC=C1)NC(=O)C2=CC=CC=C2Cl 1 2.006 3 2 -20.5233481997445 25162842 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC(C2=CC=C(C=C2)F)N3CCOCC3 1 2.179 3 4 0 -22.3227876118974 25162841 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=C(C=CC(=C3)Cl)OC 1 1.957 4 6 0 -11.7176207865081 25162840 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CC3=CC=C(C=C3)F 1 1.549 4 5 0 -12.1831114995352 25162839 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCOC3=C(C=CC(=C3)C)C 1 2.364 4 6 0 -12.4560878807741 25162838 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CSC3=C(C=C(C=C3)C)C 1 2.674 4 5 0 -14.9128665295333 25162837 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC 1 1.56 3 6 0 -23.9950520931842 25162836 CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NCC3CCCO3)C4=CC=NC=C4 1 3.223 5 2 0 -14.0331764117715 25162835 CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)NC3=CC=C(C=C3)C(=O)N(C)C)C 1 1.779 4 3 0 -19.8170563090716 25162834 COCCNC1=NN=C(S1)SCC(=O)NNC(=O)C2=CC=CO2 1 -0.119 5 4 0 -21.8697721745653 25162833 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N(C)CC(=O)NC4=C(C(=C(C=C4)F)F)F 1 1.903 3 3 0 -9.83940524022112 25162832 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC 1 1.525 2 9 0 -27.7491103237826 25162831 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)N(CC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 1.522 5 6 0 -15.1004875484947 25162830 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC4=C(S3)CCC(C4)C 1 2.897 4 5 0 -14.5841498026597 25162829 CC1=CSC(=O)N1CC(=O)OC(C)C(=O)NC2=CC=C(C=C2)N(C)C 1 1.505 3 4 0 -15.9003280631997 25162828 CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C4C(=C(O3)C)C(=NNC4=O)C 1 1.531 5 5 0 -26.3780507554488 25162827 CN(CC1=C(C(=CC=C1)Cl)Cl)C(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 4.424 2 2 -11.8233287825798 25162826 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3 1 0.887 3 8 0 -32.7287160518314 25162825 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CC2=CC=CS2 1 2.628 2 2 -16.2652100523683 25162824 CCC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.137 4 5 0 -12.8698647454892 25162823 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-] 1 1.129 4 6 0 -21.0218817780829 25162822 C1=CC=C(C=C1)CC(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)O)O 1 1.744 1 6 0 -4.47981854036236 25162821 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4 1 2.201 7 3 0 -11.264234179831 25162820 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CC2=COC3=CC(=C(C=C32)C)C 1 3.677 2 3 -7.34872216447595 25162819 CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)OC(=O)C2=CC=C(C=C2)N3C=NN=N3 1 2.309 5 3 0 -20.7193127170064 25162818 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 0.375 5 7 0 -17.515406195667 25162817 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC4=C(C=C3)NC(=O)N4 1 1.911 5 3 0 -14.9958009290293 25162816 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)OC 1 2.684 3 6 0 -11.4367713235765 25162815 CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N(CC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 2.12 4 7 0 -15.6458806071366 25162814 CSCCC(C(=O)NNC(=O)C1COC2=CC=CC=C2O1)NC(=O)C3=CC=CC=C3Br 1 2.264 3 5 0 -16.6252691678271 25162813 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CN=C(C=C3)Cl)C 1 2.23 3 5 0 -20.9618034481189 25162812 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CC2CCCC2 1 2.115 2 3 -12.6384351395584 25162811 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=CC4=CC=CC=C43 1 2.217 4 5 0 -10.841069430098 25162810 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 2.023 3 4 0 -18.3693273170018 25162809 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=NC4=CC=CC=C4S3 1 2.267 5 5 0 -5.58972250917131 25162808 C1=CC(=CC=C1OCC(=O)NNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])Br 1 1.892 6 5 0 -16.3428961350327 25162807 CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C 1 2.189 4 4 0 -24.4525592269191 25162806 C1CCC(CC1)CNC(=O)CNC(=O)C2=CC=C(O2)Br 1 2.249 2 3 -14.5215528364868 25162805 CCOC1=CC=C(C=C1)OCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C 1 2.675 2 7 0 -20.0939238043889 25162804 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=C4CCCC4=NC5=CC=CC=C53 1 2.559 5 5 0 -11.8754274890262 25162803 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(N3N)C4=CC(=CC=C4)F 1 1.539 8 3 0 -13.9661318834935 25162802 CCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CCOC2=CC=C(C=C2)OCC 1 2.628 2 5 0 -19.7651392499513 25162801 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCCCC3 1 4.047 2 3 -7.07942132222748 25162800 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)/C=C/C3=CC(=CC=C3)Cl)C 1 3.639 2 5 0 -12.7028033740988 25162799 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC=N2)O)C3=CC4=CC=CC=C4C=C3 1 1.767 4 4 0 -2.10653767457016 25162798 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCC3CCCC3 1 2.016 4 5 0 -14.994013105308 25162797 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(N3N)C4=CC=CC=C4F 1 1.539 8 3 0 -18.2737637193688 25162796 C1CC(CN(C1)C(=O)CNC(=O)C2=CC=CS2)C(F)(F)F 1 1.645 2 2 0 -12.0972385927056 25162795 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCOC3=CC=CC(=C3)C 1 1.878 4 6 0 -12.385920662489 25162794 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CSC3=CC=C(C=C3)F 1 1.908 4 5 0 -12.3646190630621 25162793 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl 1 1.928 4 6 0 -13.389023591553 25162792 CCN(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 2.357 3 4 0 -18.4078822595123 25162791 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.452 5 4 0 -20.1836521328483 25162790 COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3Cl)OCC(=O)N4CCOCC4 1 2.458 3 5 0 -11.87031913412 25162789 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl 1 3.105 4 5 0 -8.88102696357632 25162788 CN(CC1=CC=C(C=C1)F)C(=O)C(CCSC)NC(=O)COC2=CC=CC=C2 1 2.739 2 3 -12.9376265140178 25162787 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCOC3=CC=CC=C3C 1 1.878 4 6 0 -13.2103639386895 25162786 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NNC(=O)COC4=CC=C(C=C4)Cl)C 1 3.458 5 3 0 -4.34175850042218 25162785 CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 3.379 2 5 0 -10.8460284593771 25162784 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)C 1 3.235 2 5 0 -18.3765001064775 25162783 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C23CC4CC(C2)CC(C4)(C3)Cl 1 2.743 2 3 -5.9424610906234 25162782 CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)OCCO3 1 2.266 1 3 -9.16709597682957 25162781 CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C4=CC=CC=C4 1 3.74 4 3 0 -18.4378162057002 25162780 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)CC(=O)NC3=C(C=CC=C3C)C 1 2.94 4 4 0 -24.4016472041575 25162779 C1CCC(=CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.897 2 3 -18.3920765505129 25162778 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OC3=CC4=C(C=C3)C=CC(=O)O4 1 1.87 2 6 0 -10.2150630117832 25162777 C1CC(CCC1NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O 1 2.041 3 6 0 -11.558719376181 25162776 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 4.037 3 3 -10.2092876762661 25162775 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC)C3=CC=CC=C3 1 3.018 3 4 0 -28.6271060586316 25162774 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)C)C 1 1.317 3 7 0 -25.8743538939682 25162773 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)/C=C/C2=CC=C(O2)C 1 1.342 2 6 0 -16.771438220783 25162772 CCOC1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.352 3 6 0 -19.0757981407419 25162771 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 0.748 3 8 0 -16.2369174648582 25162770 COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC(C3)C(F)(F)F 1 3.103 2 4 -10.4998440602239 25162769 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CC2=CC=C(C=C2)Cl 1 2.033 2 5 0 -17.7720017604365 25162768 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 2.413 4 6 0 -14.33296280623 25162767 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=CC=C3NC4=CC=CC=C4 1 2.859 5 5 0 -13.3785129388963 25162766 CN(CC1=CC=CC=C1OC)C(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 3.079 2 3 -15.1345676904394 25162765 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC3=CC(=CC=C3)Br 1 5.032 1 5 -11.3217880920984 25162764 CN(CC1=CC(=CC=C1)F)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.46 3 4 0 -15.6759103978963 25162763 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)CCNC(=O)C2=CC=CC=C2OC 1 1.82 3 5 0 -19.5967131379266 25162762 COC1=CC(=CC(=C1)C(=O)NCC(=O)NCCN2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=O)OC 1 1.8 3 8 0 -20.7029800159378 25162761 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)OC)OC)C 1 2.942 2 7 0 -19.9092127989157 25162760 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=NN=C(N3C)C4=CC=CO4)C 1 0.817 6 4 0 -15.5088286160829 25162759 CC1=NC(=C(S1)CC(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=C(C=C3)F 1 4.681 3 2 -5.21255775395583 25162758 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)COC(=O)C2=CN=C(C=N2)C 1 1.356 4 4 0 -23.2781674679923 25162757 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3CC3C 1 0.654 4 5 0 -11.4459866237703 25162756 CC(C(=O)NNC(=O)CC1=CC=C(S1)S(=O)(=O)N2CCOCC2)OC3=CC=CC=C3F 1 1.314 3 6 0 -21.5019615718851 25162755 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCCOC3=C(C=C(C=C3)Cl)C 1 2.864 4 6 0 -11.4673491847693 25162754 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC3 1 2.098 2 3 -6.02089991154598 25162753 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)C 1 1.376 3 6 0 -15.4481210416287 25162752 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3CCC(CC3)C(C)(C)C 1 2.937 4 5 0 -16.4500316929581 25162751 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(N3N)C4=CC(=CC=C4)Cl 1 1.998 8 3 0 -13.679584350147 25162750 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC(C2=CC=CS2)N(C)C 1 2.132 3 3 -13.8421511291115 25162749 C1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Cl)C4=CC=CO4 1 5.226 2 3 -11.5242492075262 25162748 C1CN(CCN1C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4F 1 0.951 3 6 0 -25.0383582660401 25162747 CC1CCCN(C1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl 1 3.016 2 2 -19.3224659298375 25162746 CC1=C(C=CO1)C(=O)NNC(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 0.116 4 5 0 -10.880399838125 25162745 C1CN(CCN1C2=CC=CC=C2O)C(=O)C3COC4=CC=CC=C4O3 1 2.404 2 4 -2.3709479964938 25162744 CC1=CC(=CC=C1)OCC(=O)NNC(=O)C2=CC3=C(C=C2)N=CN3 1 1.708 4 3 0 -9.60597940221393 25162743 CC1=CC(=NC2=CC=CC=C12)SCC(=O)NCCCN3CCCC3=O 1 2.359 3 2 -22.0476310751323 25162742 C1CN(CCN1C2=CC=CC=C2O)C(=O)CSC3=CC4=C(C=C3)OCCO4 1 2.81 2 4 -4.27791341263353 25162741 COC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5 1 3.879 5 6 0 -11.6268468503084 25162740 C1CCCN(CCC1)C(=O)CCNS(=O)(=O)C2=CC=CC=C2C(F)(F)F 1 3.026 2 3 -12.5661564184115 25162739 COC1=CC=CC=C1C(CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl)N3CCCC3 1 3.769 3 3 -26.9830981680988 25162738 CSCCC(C(=O)NCC(C1=CC=C(C=C1)F)N2CCOCC2)NC(=O)C3=CC=CC=C3Cl 1 3.218 3 3 -26.3910046448999 25162737 CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3O 1 2.539 2 3 -2.13061755354062 25162736 CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N(C)CC(=O)NC3=CC=CC=C3SC)C 1 2.656 4 3 0 -20.8504201261425 25162735 CCC1CCC2=C(C1)C=C(S2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCOCC4 1 4.504 2 3 -16.1182906436413 25162734 CC(CCC1=CC=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2C(F)(F)F 1 3.729 2 3 -18.4786143958262 25162733 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2=CC=CC=C2OCC3=CC=CC=C3Cl 1 4.86 2 3 -10.959362881772 25162732 CCOC(=O)C1CCCN(C1)C(=O)C2COC3=CC=CC=C3O2 1 1.828 1 5 0 -11.6418208531789 25162731 CSCCC(C(=O)N1CCCCCC1)NC(=O)COC2=CC=CC=C2 1 2.324 2 3 -18.5536550659208 25162730 C1COCCN1C(CNC(=O)COC2=CC=CC(=C2)C(F)(F)F)C3=CC=CS3 1 3.101 2 3 -10.2882042866604 25162729 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)C(=O)NCC3(CCCCC3)N(C)C 1 3.848 3 4 0 -14.6773651417898 25162728 CC1(C(=O)N(C(=O)N1)CC(=O)NCC(C2=CC=CC=C2OC)N3CCCC3)C4=CC5=CC=CC=C5C=C4 1 3.239 4 4 0 -15.693473990712 25162727 COC1=C(C=CC(=C1)C(=O)NCC(C2=CC=CO2)N3CCCC3)OCC4=C(C=C(C=C4)Cl)Cl 1 5.418 2 4 -15.2846757346336 25162726 COC1=CC=C(C=C1)C(CNC(=O)CCNS(=O)(=O)C2=CC=CC=C2C(F)(F)F)N3CCOCC3 1 2.413 3 5 0 -24.3235952520494 25162725 CN(CC1=CC=CC=C1F)C(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.393 2 5 0 -19.6470855176951 25162724 COC1=CC=CC=C1C(CNC(=O)C2COC3=CC=CC=C3O2)N4CCCC4 1 3.006 2 4 -12.3158917981932 25162723 CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.794 3 4 0 -22.3681093582258 25162722 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=CN3C 1 0.784 6 4 0 -36.4167953698175 25162721 C1CCCN(CCC1)C(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 2.797 2 2 -9.78104997369179 25162720 CC(C)C1=CC=C(C=C1)CCNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 3.896 2 3 -14.1225679077857 25162719 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC 1 2.063 3 5 0 -20.365914988546 25162718 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 3.459 1 4 -11.0610833392883 25162717 C1CC1N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C(=O)CC4C5=CC=CC=C5C(=O)O4 1 3.211 3 4 0 -11.5168306549596 25162716 CCOC1=CC=CC=C1OCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N 1 1.602 3 7 0 -21.1945141474973 25162715 CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC 1 1.919 2 5 0 -22.1347373862081 25162714 C1COCCN1CCCNC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 0.983 3 3 0 -17.7142621894936 25162713 CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CSCC(=O)NC2=NOC(=C2)C 1 0.804 4 5 0 -25.9499617375559 25162712 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C(=O)C 1 1.007 3 3 0 -9.53339103550934 25162711 C1CC(CCC1NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)O 1 1.418 2 4 0 -13.5619129191653 25162710 CC1(CC1(Cl)Cl)C(=O)OCC(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)OC)OC 1 2.98 2 5 0 -3.43332038788259 25162709 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C(=O)NCC3=CC=NC=C3 1 2.164 3 3 -10.2753860623948 25162708 COC1=CC=CC=C1C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F)N4CCCC4 1 3.926 3 4 0 -16.8169961967606 25162707 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CN2C(=O)C3(CC(CC(C3)(C)C)C)NC2=O)N 1 0.572 6 6 0 -14.8865603437941 25162706 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)COC3=CC=CC=C3C(C)C 1 4.681 2 4 -14.8992680642965 25162705 CCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C 1 3.378 4 3 0 -19.6961903445854 25162704 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.546 3 5 0 -13.389929160464 25162703 CC1CCCCC1NC(=O)C(C)OC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)C)C 1 3.142 2 5 0 -17.5239108226043 25162702 COC1=C(C=C(C=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl)S(=O)(=O)N3CCOCC3 1 1.628 2 7 0 -23.3919011310517 25162701 CSCCC(C(=O)NC1=CC=NC=C1)NC(=O)C2=CC=CC=C2 1 1.335 3 2 0 -20.4353465826914 25162700 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.482 3 5 0 -25.3468996689593 25162699 C1CN(CCC1C(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F 1 4.495 2 2 -5.19746523767059 25162698 CCC1=C(SC(=C1)C(=O)NC2=NN=C(S2)C3CC3)C 1 3.148 3 1 -8.38332647547903 25162697 C1CN(CCN1C2=CC=CC=C2O)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Br 1 3.867 3 4 0 -1.34559174761589 25162696 CC1=NC(=C(S1)CC(=O)NCC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)F 1 3.28 3 2 -7.05747394993042 25162695 CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.652 2 4 -20.2763550946657 25162694 CC1=CC(=NC=C1)NC(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C 1 2.938 3 3 -11.3478816351577 25162693 C1CN(CCN1C(=O)C2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4F 1 4.008 2 3 -18.1981648108293 25162692 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)F)Cl)C 1 4.571 4 1 3.06531540630108 25162691 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.822 3 4 0 -20.8775158669845 25162690 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)CC3=CC=CC=C3 1 3.686 2 3 -12.9651561834018 25162689 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)/C=C/C3=CC(=C(C=C3)O)OC 1 2.195 3 8 0 -22.3048579370552 25162688 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC(=CC=C2)Br 1 1.821 2 6 0 -18.9328824814265 25162687 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OCC 1 1.909 3 6 0 -24.4604834534051 25162686 C1CN(CCN1C(=O)CCC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3 1 2.983 2 3 -22.4539773264721 25162685 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3F 1 2.557 3 5 0 -11.9173183146031 25162684 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl 1 3.948 4 5 0 -8.62089385888513 25162683 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=C(C=CC=N4)O 1 2.713 4 4 0 -14.6008724343674 25162682 CC1=CC(=CC=C1)OCCC(=O)OCC2=CSC(=N2)CC(=O)NC3=CC=CC=C3C 1 4.221 2 4 -12.6092697518542 25162681 CC1=CC=CC(=C1)C(=O)NCC(=O)N2CCC(=CC2)C3=CC=CC=C3 1 2.876 2 2 -11.8428574757769 25162680 CN(CCOC1=CC=CC=C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 4.404 2 3 -3.57964150587416 25162679 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NCCSC2=CC=C(C=C2)Br)OCC 1 3.701 2 4 -17.8218085585319 25162678 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCNC(=O)C3=CC=CO3)OC 1 1.772 3 7 0 -15.5361955940694 25162677 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.368 2 8 0 -28.622768602576 25162676 CC(C)(CNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1)N2CCOCC2 1 1.318 3 3 0 -24.6605367009996 25162675 CCC1=C(SC(=C1)C(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3)C 1 3.501 2 3 -14.8783124406295 25162674 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NCC3=CC=CO3 1 2.252 2 4 -18.3349609200609 25162673 COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F)N4CCOCC4 1 3.153 3 5 0 -17.4207646786587 25162672 CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)C3=CSC(=N3)N4CCOCC4 1 1.608 4 4 0 -0.131939091283882 25162671 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=C(C3=C(O2)C4=CC=CC=C4C=C3)C 1 3.339 3 4 0 -2.90337576909035 25162670 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C(=O)NCC3=CN=CC=C3 1 2.164 3 3 -12.3716652385529 25162669 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N 1 1.113 4 4 0 -18.1037855346004 25162668 CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)OCCO3 1 3.253 1 3 -10.5478081855798 25162667 CCCC(C)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC 1 3.218 2 4 -25.9296793311413 25162666 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.859 2 6 0 -25.7961345545047 25162665 C1CCC(CC1)(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F)N4CCCCC4 1 4.501 3 3 -11.3539725199244 25162664 C1CC(OC1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F 1 2.09 2 4 -14.289407884356 25162663 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CN2C3=CC=CC=C3OC2=O 1 2.304 3 5 0 -16.7810442214088 25162662 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 3.755 3 3 -17.9262833437944 25162661 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CCCC3)S(=O)(=O)N4CCOCC4 1 2.528 3 4 0 -20.3089694627641 25162660 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CC3C4=CC=CC=C4C(=O)O3 1 0.859 4 6 0 -11.9678824783231 25162659 CCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2=CC3=C(C=C2)NC4=C3CC(CC4)C 1 4.141 3 3 -13.8923168658791 25162658 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F 1 2.146 3 5 0 -7.95230059037101 25162657 CC(C)[C@@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)NC(=O)C3=CC=CC=C3Cl 1 3.615 3 5 0 -17.7388823240246 25162656 CC1CCCCC1NC(=O)C2=C(C=CS2)C 1 3.655 1 1 -10.6853650470383 25162655 CN(C1CCCCC1)C(=O)COC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3 1 2.688 3 4 0 -12.2137596840397 25162654 CN(C)C(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)C3=CC=CO3 1 2.548 3 5 0 -13.3336016245068 25162653 CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCC3)N4CCOCC4 1 4.142 3 4 0 -17.4291837226379 25162652 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=C(N(N=C3C)C4=CC=CC=C4)Cl 1 2.277 6 5 0 -12.7757948290563 25162651 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 4.458 4 3 0 1.32255642132673 25162650 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.484 2 6 0 -9.14840031197251 25162649 C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3CCCO3 1 2.848 2 2 -7.72770431157931 25162648 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CSC(=N2)CC(=O)NC3=CC=CC=C3C)C 1 3.387 3 5 0 -16.8801724146584 25162647 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NNC(=O)CN2C=CC(=N2)C(F)(F)F 1 1.525 5 4 0 -18.6558464537056 25162646 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 4.242 4 3 0 3.20105326242085 25162645 CC1CCCCC1NC(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.482 2 5 0 -24.7302140406501 25162644 CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(=O)NCCNC(=O)COC(=O)COC2=C(C=C(C=C2)Cl)C 1 3.28 2 8 0 -9.10248271024582 25162643 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC=NC=C3 1 0.755 3 4 0 -20.4894793598888 25162642 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.277 3 5 0 -26.9547863336607 25162641 CC1CN(CC(O1)C)C(=O)C(CCSC)NC(=O)C2=CC=CO2 1 0.953 2 4 0 -21.4588254620078 25162640 CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 3.11 4 3 0 -27.9959778298463 25162639 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=C(C=CC(=N3)Cl)Cl 1 4.467 3 3 -14.5217016663594 25162638 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSCC3=CC=C(C=C3)C 1 2.638 2 5 0 -27.322005159304 25162637 CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCCCCCC2)C 1 3.105 2 2 -11.5263365626451 25162636 CC1CCCCC1NC(=O)C(C)OC(=O)CC2=CC=C(C=C2)Cl 1 4.106 1 3 -11.474275640173 25162635 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl 1 3.302 3 2 -8.78762851351448 25162634 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCCN3CCCC3=O 1 2.119 3 4 0 -27.6165407446485 25162633 CC(C(=O)N1CCOCC1)SC2=NC(=O)C=C(N2)N 1 -0.328 4 3 0 -16.1503946554162 25162632 COC1=CC=CC=C1C(CNC(=O)CNC(=O)C2=CC(=CC=C2)Cl)N3CCCC3 1 2.957 3 3 -17.6779978568998 25162631 CN(CC1=CC(=CC=C1)F)C(=O)C(CCSC)NC(=O)COC2=CC=CC=C2 1 2.739 2 3 -11.7833353207978 25162630 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CN2C3=CC=CC=C3N=CC2=O 1 1.623 4 3 0 -15.2734206676754 25162629 CC1=C(C=C(C=C1)NC(=O)CC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3 1 4.29 2 3 -14.9020106193113 25162628 CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)/C=C/C2=NC3=CC=CC=C3C=C2 1 4.094 2 3 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-15.9993119060574 25162347 CC(C(=O)N1CCOCC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Br 1 0.676 2 7 0 -24.4722946695949 25162346 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)N3C=NN=N3)OCC 1 2.494 5 3 0 -24.5306329471038 25162345 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CC3=CC=C(C=C3)OC)C 1 2.526 2 6 0 -18.8141841678427 25162344 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=C(N=CC=C3)SC 1 1.239 5 5 0 -18.9407890424388 25162343 CCCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC3(CC2CC(C3)(C)C)C 1 3.525 2 3 -25.7556812252374 25162342 CCCN1C(=NN=C1SC(C)C(=O)NC2CC2)CC3=CC=CC=C3 1 3.349 4 1 -16.4307515939391 25162341 C1CCCN(CCC1)C(=O)CNC(=O)C2=CC=CC=C2Cl 1 2.797 2 2 -12.3723208038839 25162340 C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)N3C=CC=C3 1 2.747 3 2 -5.32303198147703 25162339 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl 1 3.924 3 3 -15.9843300036226 25162338 CC12CCC(=O)N1C(CS2)C(=O)N(C)CC(=O)NC3=CC=CC=C3Cl 1 0.849 3 3 0 -11.1452311981725 25162337 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-10.5581633769687 25162005 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 3.086 3 3 -16.698709559036 25162004 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F 1 1.025 3 7 0 -30.2806519469125 25162003 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 2.559 5 5 0 -20.0394587190564 25162002 CSCCC(C(=O)N1CCCCCCC1)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.273 2 2 -15.1877207486794 25162001 CC12CCC(=O)N1C(CS2)C(=O)N(C)CC(=O)NC3=C(C(=C(C=C3)F)F)F 1 0.801 3 3 0 -11.334260119989 25162000 CN(C)C(CNC(=O)CCNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C2=CC=CC=C2 1 2.742 3 3 -16.259272694793 25161999 CCCN1C(=NN=C1SCC(=O)N(CC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C4=CC=NC=C4 1 1.753 8 3 0 -17.1555378095814 25161998 CCC1(C(=O)N(C(=O)N1)CC(=O)NNC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3 1 1.698 4 4 0 -10.376791161624 25161997 CCCN(C1CCS(=O)(=O)C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC)Cl 1 1.711 3 5 0 -27.7596237070427 25161996 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)CCCOC2=CC=C(C=C2)OC 1 2.892 2 8 0 -24.5440189365971 25161995 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=C(N(N=C3C)C4=CC=CC=C4)C 1 2.431 6 5 0 -10.3893668585963 25161994 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NCCN3C(=O)/C(=C/C4=CN=CC=C4)/SC3=O)C 1 1.438 5 5 0 -13.330903318587 25161993 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCCC3=CNC4=CC=CC=C43 1 2.549 5 5 0 -18.0971937068134 25161992 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)OC 1 1.317 8 4 0 -17.0579087852593 25161991 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 3.448 3 4 0 -15.5493556580572 25161990 CN1C=CC=C1C(=O)NCC2COC3=CC=CC=C3O2 1 2.092 2 3 -7.19112564165471 25161989 CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F 1 5.019 2 5 0 -12.4323574514247 25161988 CC(=NOCC(=O)OCC(=O)NC1=CC(=CC(=C1)OC)OC)C2=CC3=C(C=C2)OCO3 1 1.755 2 8 0 -14.1297568003065 25161987 CC1=CC(=NC=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC4=CC=CC=C4C=C3 1 2.495 4 3 0 -3.44610894609082 25161986 C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-] 1 2.345 4 5 0 -20.8742301810939 25161985 COC1=CC=C(C=C1)C(CNC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3)N4CCOCC4 1 1.738 3 4 0 -22.7291084805694 25161984 COCCNC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC3=C(CCCC3)C=C2 1 1.346 3 4 0 -28.7770488948806 25161983 CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)F)N3CCOCC3)S(=O)(=O)N4CCOCC4 1 1.973 3 5 0 -27.2998675416779 25161982 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NCCCCC2)OC3=CC=C(C=C3)Br 1 3.806 3 4 0 -15.6584865355895 25161981 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)OCC(C)C)OC 1 4.81 2 5 0 -21.4852678942564 25161980 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC 1 3.054 3 5 0 -20.4348134959912 25161979 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 1 2.886 5 3 0 -1.58026803580402 25161978 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)N(C)CC3=CC=CO3 1 2.458 2 4 -15.3748269062895 25161977 CN(C)C(CNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Cl)C2=CC=CS2 1 3.171 3 2 -18.0077623886388 25161976 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC)OCC 1 2.112 3 7 0 -26.4335415236651 25161975 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4O)Cl 1 4.115 3 5 0 -3.15529065700214 25161974 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 3.688 3 2 -11.0017008180253 25161973 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N(C)CC2=CC=CS2 1 2.064 2 3 -14.7132916312493 25161972 CC1=C(N=CC=C1)NC(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC 1 1.409 3 5 0 -16.827808551968 25161971 CC(C(=O)N(C)CC(=O)NC1=CC(=CC=C1)OC)SC2=CC=CC=C2 1 2.741 2 3 -7.30997876435241 25161970 CC1=C(C=C(C=C1)OCC(=O)NNC(=O)C2CSC3(N2C(=O)CC3)C)C 1 0.983 3 4 0 -10.6703863900541 25161969 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CSC(=S)N2CCCC2 1 3.327 3 2 -17.8413283286505 25161968 CC(C)COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.695 2 4 -8.55368097665355 25161967 C1CN(CCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(=O)C4=CC=CO4 1 1.902 4 7 0 -9.996053461452 25161966 CCN(CC(=O)NCC1=CC=CS1)C(=O)COC2=CC=CC(=C2)C(F)(F)F 1 2.753 2 3 -16.126459607223 25161965 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 4.819 3 2 -12.2999390660111 25161964 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)CC2C3=CC=CC=C3C(=O)O2 1 2.946 2 4 -14.8395154361699 25161963 CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N(C)CC(=O)NC2=CC=CC=C2Br 1 2.689 3 4 0 -22.361399328958 25161962 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC=C(O3)C4=CC=CC=C4Cl 1 3.389 2 4 1.8213296513449 25161961 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CCC3=CC=CC=C3Cl 1 3.17 2 4 -20.9095605346172 25161960 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C 1 3.089 3 4 0 -19.7693143058525 25161959 CC1CN(CC(O1)C)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl 1 2.222 2 3 -22.4123886420119 25161958 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CC2=CC3=C(CCC3)C=C2 1 3.828 2 3 -16.504701169292 25161957 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CSC2=C(C=C(C=C2)Br)C 1 4.364 2 3 -17.8724206817905 25161956 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 2.86 2 4 -14.5779710383755 25161955 C1CC(CN(C1)C(=O)CNC(=O)C2=CC=CO2)C(F)(F)F 1 1.086 2 3 0 -10.5402219539438 25161954 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3 1 2.182 2 7 0 -23.280230770003 25161953 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4 1 3.51 2 5 0 -12.8403445525959 25161952 CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CSCC2=CC=C(C=C2)C 1 3.099 2 3 -16.9798027087858 25161951 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 1.704 3 4 0 -16.028134795722 25161950 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CCCOC2=CC=C(C=C2)OCC 1 3.377 2 4 -16.7611962061715 25161949 COC1=CC=CC=C1C(CNC(=O)C2=CC=CO2)N3CCCC3 1 2.628 2 3 -13.8126744458423 25161948 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=CC3=CC=CC=C32)OCC 1 3.453 2 4 -12.2319308344055 25161947 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3OCC4=C(ON=C4C)C 1 2.763 3 5 0 -28.2041591714218 25161946 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)C(=O)C 1 3.585 2 4 -9.40831597393702 25161945 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCN(CC2)C(=O)C 1 -0.287 3 5 0 -16.8201362610737 25161944 CC1=C(C(=NO1)C)C(=O)N(C)CCC2=CC(=C(C=C2)OC)OC 1 1.998 2 4 0 -12.6991482997796 25161943 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC(=C(C=C4)C)C 1 4.089 4 3 0 -16.1280027615495 25161942 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 2.1 4 3 0 -19.258672487557 25161941 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NCC(C2=CC=CO2)N3CCCCC3 1 3.959 3 4 0 -25.1101655972634 25161940 CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OC(C)C(=O)NC2=CC=CC=C2OC 1 3.213 2 5 0 -16.5495702975112 25161939 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=O)C2CSC3(N2C(=O)CC3)C 1 1.691 3 4 0 -9.6693840215366 25161938 COC1=CC=CC=C1C(CNC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3)N4CCCC4 1 2.512 3 3 -22.1963587691589 25161937 C1CCCN(CCC1)C(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 3.13 2 2 -12.7297699868319 25161936 C1CCN(CC1)C2=NC(=O)C(S2)CC(=O)NC3=CC=CC(=C3)C(=O)N4CCCC(C4)C(F)(F)F 1 3.25 4 3 0 -14.7425924311062 25161935 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl)C 1 2.896 3 6 0 -20.7031212541018 25161934 CC(C)[C@@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)NC(=O)OCC3=CC=CC=C3 1 3.513 3 6 0 -14.5108235245188 25161933 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CC(C4=CC=CC=C4)NC(=O)C 1 1.143 5 5 0 -25.0872010083508 25161932 C1CCCN(CCC1)C(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.027 3 4 0 -15.0333138407133 25161931 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)/C=C/C4=CC=C(C=C4)Cl 1 4.249 4 3 0 -13.3837365512931 25161930 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)NC4=C3CC(CC4)C 1 3.983 2 3 -8.50187174531453 25161929 CN(CCOC1=CC=C(C=C1)Cl)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 2.458 2 5 0 -15.6431238468986 25161928 CC12CCC(=O)N1C(CS2)C(=O)NC3=C(C=CC(=C3)Cl)N4CCCC4 1 2.206 3 2 -3.0419137871206 25161927 CC1=C(SC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.859 2 4 0 -22.1095546696849 25161926 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCC3=CC=CC=N3 1 3.146 3 3 -11.0482452377326 25161925 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 3.976 2 3 -8.62486723820661 25161924 CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)N(C)CC(=O)NC4=CC(=CC=C4)F 1 4.729 4 3 0 5.18940211408415 25161923 CCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.205 2 4 0 -25.0463070298077 25161922 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)C 1 2.996 3 3 -18.0957542737651 25161921 CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 1.673 4 4 0 -19.607334291389 25161920 CC1=CC=C(C=C1)NC(=O)CSCC(=O)N(C)CC2=CC(=C(C=C2)Cl)Cl 1 4.095 2 2 -9.815612506702 25161919 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.241 3 4 0 -11.8407922540364 25161918 CCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CSCC2=CC=C(C=C2)C 1 3.099 2 3 -20.098551247197 25161917 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 4.222 3 4 0 -11.7187363780958 25161916 COC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.252 3 3 -2.78006990358716 25161915 CC1CN(CC(O1)C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 2.385 2 4 -24.6472770454403 25161914 COC1=CC=CC=C1C(=O)NCCC(=O)NCC2=CC=CC=N2 1 0.977 3 3 0 -20.6398601839537 25161913 C1CN(CCN1C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC(=C4)F 1 0.951 3 6 0 -23.9636859413487 25161912 C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 1.371 4 7 0 -29.9858919057439 25161911 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)CC3=C(C=CC=C3Cl)F 1 2.771 3 3 -20.0679070585172 25161910 C1CC(=O)N(C1)CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F 1 1.447 3 4 0 -23.5989902965743 25161909 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CCN2C(=O)C3CC=CCC3C2=O)OCC 1 1.249 3 6 0 -23.5103310221067 25161908 CC1=CC=C(C=C1)NC(=O)CSCC(=O)N(C)CC(=O)NC2=CC(=CC=C2)OC 1 1.803 3 4 0 -13.0138201433941 25161907 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(N(N=C2C)CC3=CC=CC=C3Cl)C)OCC 1 3.871 4 4 0 -18.0366372480709 25161906 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 1.3 6 5 0 -16.190130136564 25161905 CC1(CC(CC(N1)(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C 1 2.309 3 3 -18.0667904877189 25161904 CN1C(=O)C2=C(N=C1SCC(=O)NCC(C3=CC=CC=C3)N(C)C)SC4=C2CCCC4 1 4.217 4 2 -27.667183342279 25161903 CC1=CC(=CC=C1)OC2=CC=CC=C2NC(=O)CSCC(=O)NC3=NOC(=C3)C 1 3.253 3 4 0 -16.0658241353306 25161902 CC(COC)NC(=O)CSC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCC3 1 1.779 3 5 0 -27.5264636521823 25161901 CC1CCCCC1NC(=O)C(C)OC(=O)C2=COCCO2 1 1.32 1 5 0 -15.6018141255307 25161900 CC1=C(N=CC=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.366 3 2 -4.4998047857844 25161899 CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.442 3 4 0 -12.7267092685582 25161898 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)NC(=O)CNC(=O)C3=CC=CO3 1 2.027 3 6 0 -14.5381069875772 25161897 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CC3=CSC(=N3)C4=CC(=CC=C4)Cl 1 2.63 5 4 0 -3.63271496909975 25161896 CC1CCC2=C(C1)C=C(S2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 4.32 2 1 -5.22643434981144 25161895 CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)OC 1 3.465 3 4 0 -7.78528942807892 25161894 CN(CC1=CC=CC=C1F)C(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCCC4 1 3.651 4 3 0 -13.5542657434606 25161893 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=C(ON=C2CC)C)N 1 -4.e-002 5 5 0 -16.9572769743404 25161892 CC12CCC(=O)N1C(CS2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F 1 1.75 3 2 0 -3.49359526274956 25161891 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCSC3=CC=C(C=C3)F 1 1.969 4 4 0 -7.96856020009698 25161890 CSCCC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 2.037 3 5 0 -19.0982775527855 25161889 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)NNC(=O)COC3=CC(=CC=C3)F 1 0.829 3 6 0 -16.5956717727025 25161888 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCC(C3=CC=CC=C3)N(C)C 1 4.249 3 3 -8.28013915705595 25161887 CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 1.309 3 8 0 -29.4074860837482 25161886 CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)C4=CC=CC=C4OC 1 3.997 3 4 0 -23.7817001116267 25161885 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N)C 1 1.877 3 7 0 -23.5090221935397 25161884 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=NN=CN3C(C)C)C 1 0.223 6 3 0 -20.0238646953963 25161883 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)/C=C/C3=CC=C(C=C3)Cl)C 1 3.639 2 5 0 -13.737761149211 25161882 CCOC1=CC=C(C=C1)C(=O)COC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 1.195 4 6 0 -23.6110844008475 25161881 CCCCNC(=O)C1=CC=CC=C1SCC(=O)NC2CCCCCCC2 1 4.739 2 2 -21.9402167943772 25161880 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.854 3 3 -7.07118630374154 25161879 COC1=CC(=C(C=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC 1 3.459 2 4 -9.73445090319872 25161878 COC1=CC=CC=C1C(CNC(=O)CNC(=O)C2=CC=CC=C2Cl)N3CCCC3 1 2.957 3 3 -20.9912022111374 25161877 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC(=O)NC4=CC(=C(C=C4)F)F 1 0.272 4 6 0 -33.3865805142135 25161876 CN(CC1=CC(=CC=C1)OC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.285 2 5 0 -19.4809438663788 25161875 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C 1 2.923 2 7 0 -20.273775688453 25161874 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C(=C/C3=CC=CC=C3)/NC(=O)C 1 0.601 5 6 0 -16.3096869358079 25161873 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3 1 2.832 3 5 0 -22.8157467689124 25161872 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CC(OC(C2)C)C 1 2.058 2 4 -17.6224360051898 25161871 COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2C(=O)N3CCCCC3 1 2.382 3 4 0 -15.1072874734796 25161870 CC(C(=O)NCC1CCCO1)SC2=NN=C(N2N)COC3=CC(=CC=C3)Br 1 2.197 5 3 0 -17.6280379508019 25161869 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=CN=C(C=C3)OC)C 1 1.57 4 4 0 -8.8792908303142 25161868 CC1=CC=CC(=C1)C(=O)NCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3 1 2.006 3 4 0 -20.5768289086846 25161867 CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 2.984 3 3 -16.5621517028455 25161866 COC1=CC=CC=C1C(=O)NCC(=O)NCCSC2=CC=C(C=C2)Br 1 3.02 2 3 -13.8800332839323 25161865 C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)NCCOC3=CC=CC=C3 1 2.938 2 3 -17.5881767627829 25161864 CC1=CC=CC=C1SCC(=O)NNC(=O)C2=CC=NC=C2 1 1.6 3 2 0 -12.0532687499301 25161863 CC1CN(CC(O1)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.433 3 4 0 -22.8389389990629 25161862 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CC2=C(N=C(S2)C)C3=CC=C(C=C3)F)OCC 1 3.74 3 4 0 -11.4077869147834 25161861 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC 1 1.493 3 7 0 -23.2071572272559 25161860 C1CN(CCC1C(=O)NC2=CC=CC=N2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.5 3 3 -9.18543890708585 25161859 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CCCC2=CNC3=CC=CC=C32 1 4.479 3 2 -20.2671491460972 25161858 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC=CC(=C3)C 1 3.531 3 3 -11.2909917899728 25161857 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)F 1 1.513 4 5 0 -24.165906439585 25161856 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.157 3 4 0 -18.5632730303466 25161855 COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC2=CC=NC=C2 1 1.326 3 3 0 -22.0445804666174 25161854 CC1CCCCC1NC(=O)C(C)OC(=O)CC2=CC=C(C=C2)OC 1 3.425 1 4 -13.6381975912689 25161853 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)C(=O)NCCCN3CCCC3=O 1 1.711 3 5 0 -24.5459697166656 25161852 C1=CC(=CC(=C1)Cl)/C=C/C(=O)NNC(=O)C2=CC=NC=C2 1 1.853 3 2 0 -3.14214547241911 25161851 CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)NCCC3=CCCCC3 1 4.287 2 2 -16.5066847515605 25161850 CC1=C(C=C(C=C1)C(=O)N(C)CC(=O)NC2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 2.384 3 5 0 -21.8272920051371 25161849 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CC2=CC=CS2 1 3.227 2 2 -18.2712595496409 25161848 CN(C1=CC=CC=C1)C(=O)COC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.721 2 6 0 -12.9487103195809 25161847 CN(CC1=CC=C(C=C1)OC)C(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC 1 1.731 2 6 0 -16.3991843648558 25161846 CC(C(=O)OCC(=O)NCCC1=CC=CC=C1)OC2=CC=C(C=C2)C(=O)C 1 2.709 1 5 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CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.1 3 5 0 -10.2516534625891 25161664 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CNC(=O)C2=CC=C(S2)C 1 1.895 3 4 0 -20.2154586226361 25161663 C1CN(CCC1C(=O)N)C(=O)CCNS(=O)(=O)C2=CC=CC=C2F 1 -6.6e-002 3 4 0 -14.0214110496127 25161662 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)N(C)CCOC3=CC=CC=C3 1 3.325 2 4 -12.7611925717466 25161661 C1CN(CCN1C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 1.41 3 6 0 -23.7488350768721 25161660 COC1=C(C=CC(=C1)C(=O)NCC2=CC=CC=C2Cl)OCC(=O)N3CCOCC3 1 2.206 2 5 0 -21.2120519517809 25161659 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)CC)N 1 1.081 5 5 0 -12.3535131112723 25161658 C1CCC(CC1)NC(=O)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F 1 3.209 4 4 0 -20.928008753241 25161657 CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC 1 2.463 2 7 0 -20.5001449426793 25161656 CC1=CC(=C(C(=C1)C)OCC(=O)NCC(C2=CC=CO2)N3CCCCC3)C 1 4.288 2 3 -15.8975943298934 25161655 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1.813 3 5 0 -24.4785108358991 25161635 CCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 1.061 5 5 0 -22.4017008122171 25161634 CC1CCCCC1NC(=O)C(C)OC(=O)CCC(=O)C2=CC=C(C=C2)C 1 3.848 1 4 -15.5731129864353 25161633 COC1=CC=CC=C1C(=O)NCC(=O)N2CCC(=CC2)C3=CC=CC=C3 1 2.373 2 3 -14.3822315270007 25161632 CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3(CCS(=O)(=O)C3)C)Br 1 1.785 2 5 0 -25.4293591887702 25161631 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 2.457 4 6 0 -16.6952127023298 25161630 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC=CC3=CC=CC=C32 1 2.994 2 2 -4.27326422245012 25161629 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CN2C3=CC=CC=C3N=CC2=O)N 1 -0.15 6 5 0 -10.597440435542 25161628 CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.914 3 7 0 -16.5310213401798 25161627 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CN3C=CC=CC3=N2 1 1.809 4 2 0 -15.5651467749651 25161626 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2.326 2 3 -14.3479526857639 25161616 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2COC3=CC=CC=C3O2 1 1.844 2 6 0 -17.5104673254312 25161615 CNC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 1.25 4 5 0 -23.2158916302381 25161614 CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=CC=C3 1 1.829 5 4 0 -15.7199479060048 25161613 CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 3.11 6 4 0 -23.6255738249503 25161612 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)CCC3=CC=CC=C3 1 4.142 2 3 -14.4654462678374 25161611 CCOC1=CC=C(C=C1)C(=O)NCC(=O)NCC(C2=CC=CO2)N3CCCCC3 1 2.386 3 4 0 -20.6580836748268 25161610 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 4.439 3 3 -12.3664790707196 25161609 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3CCC(CC3)C 1 3.235 3 3 -23.0315444191383 25161608 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)OC(=O)CC3=CC=CC=C3OC 1 2.858 2 6 0 -25.1244545760681 25161607 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3F 1 2.526 3 4 0 -15.7157312734887 25161606 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.675 3 6 0 -25.4173836873591 25161605 CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C)C 1 3.249 2 3 -16.2006851336927 25161604 COC1=C(C=C(C=C1)C(=O)NC2=NC=C(C=C2)Br)S(=O)(=O)N3CCOCC3 1 1.539 3 5 0 -23.1133626452703 25161603 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N4CCCC4 1 2.946 4 4 0 -11.5452594879986 25161602 C1=CC=C(C(=C1)OCC(=O)NNC(=O)CNC(=O)C2=CC=C(O2)Br)Cl 1 1.394 3 5 0 -15.0248706471766 25161601 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)C)C 1 2.565 3 4 0 -22.8239133575554 25161600 C1CC(=O)N(C1)CCCNC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3 1 0.887 3 5 0 -31.7763233485932 25161599 COC1=CC=C(C=C1)C(CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl)N3CCCCC3 1 4.225 3 3 -26.8144771745829 25161598 CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.588 3 4 0 -19.0869646247469 25161597 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.452 3 5 0 -17.6260985203287 25161596 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])Cl 1 1.972 6 4 0 -14.5750032243346 25161595 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C 1 2.529 4 5 0 -20.9431561199958 25161594 CC1=CC=CC=C1OCCC(=O)NC2=CC=CC=C2C(=O)N3CCCCC3 1 3.515 2 3 -12.9148025731971 25161593 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCOCC3)C)C 1 2.46 3 4 0 -18.3812183729095 25161592 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.767 3 7 0 -17.6297793711828 25161591 COC1=CC2=CC=CC=C2C=C1C(=O)N3CCCC(C3)C(F)(F)F 1 3.523 1 2 -5.73251673115017 25161590 C1CCN(CC1)C(CNC(=O)C2=CC3=C(S2)CCCC3)C4=CC=CO4 1 4.331 2 2 -16.7709926120296 25161589 CCCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 3.109 4 4 0 -17.0386414463861 25161588 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CN2C(=O)C(NC2=O)(C)C3=CC4=CC=CC=C4C=C3 1 3.177 4 4 0 -14.0552215379292 25161587 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC 1 4.529 1 5 2.96837206044199 25161586 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)CC3=C(C(=CC=C3)OC)OC 1 3.768 2 5 0 -6.97668755123125 25161585 CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 3.467 3 6 0 -12.5558637128818 25161584 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)CC2CCCCC2 1 3.497 1 4 -14.2735055730022 25161583 CC(C)(C(=O)NCC(C1=CC=C(C=C1)OC)N2CCOCC2)OC3=CC=C(C=C3)Cl 1 3.755 2 4 -11.4664747500681 25161582 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OCC 1 2.903 2 7 0 -28.7915651940109 25161581 C1CCC(CC1)(CNC(=O)CSC2=CC=C(C=C2)Br)N3CCCCC3 1 4.95 2 1 -9.96602962659206 25161580 CC1=CC=C(C=C1)SCCC(=O)N(C)CC(=O)NC2=CC(=CC=C2)OC 1 2.991 2 3 -11.2204160644891 25161579 C1CN(CCN1C2=CC=CC=C2O)C(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl 1 4.216 3 3 -8.29918132702997 25161578 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC=CC=N2 1 1.918 3 2 0 -14.2159963764675 25161577 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CCNC(=O)C 1 0.76 5 4 0 -23.3884495126592 25161576 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3)OCC 1 4.161 2 6 0 -16.128425829351 25161575 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)COC2=C(C=CC=C2C)C 1 4.046 2 3 -17.293397975374 25161574 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.903 2 2 -2.0621019822995 25161573 CCC1=C(SC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCN(CC4)CC)C 1 2.929 4 4 0 -17.477400779898 25161572 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)N(C)CC(=O)NC3=CC=CC=C3Br 1 3.609 3 4 0 -14.2842980977184 25161571 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3)C4=CC=CC=C4 1 3.734 4 3 0 -4.36370226042259 25161570 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OCC(=O)N4CCOCC4)OC)C 1 1.721 3 7 0 -25.4000271901727 25161569 C1COCCN1C(CNC(=O)C2=CN=C(C=C2)Cl)C3=CC=CS3 1 2.046 3 2 -14.0807307238592 25161568 CCN1C2=CC=CC=C2N=C1SC(C)C(=O)NCC3CCCO3 1 2.886 3 2 -13.2934853204635 25161567 COC1=CC=C(C=C1)C(CNC(=O)CNC(=O)C2=CC=CC=C2)N3CCCC3 1 2.293 3 3 -20.4944881313575 25161566 COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F)N4CCCC4 1 3.926 3 4 0 -16.3649254595642 25161565 CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)N 1 9.8e-002 5 6 0 -15.5012424272233 25161564 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCN3CCOCC3 1 1.969 3 4 0 -17.7674809542569 25161563 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC 1 1.543 2 7 0 -15.2244655863336 25161562 CC1=CSC(=O)N1CC(=O)OCC(=O)NC(C)C2=CC=C(C=C2)F 1 1.449 2 4 0 -13.4237968007076 25161561 COC1=CC=CC(=C1OC)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 2.705 1 7 0 -20.0458203025162 25161560 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)OC 1 2.837 3 5 0 -11.974577062714 25161559 CC(C1=CC=C(C=C1)F)NC(=O)COC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.45 3 5 0 -12.0621669319952 25161558 CC1=CC(=C(C=C1)C)OCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 3.794 3 4 0 -13.5124270870999 25161557 CC1CCN(CC1)C(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-] 1 1.319 3 7 0 -21.1407063760505 25161556 COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3OC)N4CCCC4 1 3.704 3 5 0 -19.4442305755852 25161555 C1CC(=O)N(C1)CCCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 1.447 3 4 0 -22.1051149178493 25161554 CC1=CSC(=O)N1CC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.193 4 6 0 -11.8461938332929 25161553 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC(=C(C=C3)OCC)OCC 1 2.679 2 6 0 -21.5683216031273 25161552 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)CC3=CC=C(C=C3)C(C)(C)C 1 4.315 3 3 -15.1447348041195 25161551 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CC2CCCCC2)N 1 1.574 4 4 0 -11.6531819828098 25161550 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CCN2C(=O)C3CC=CCC3C2=O)N 1 -0.428 5 6 0 -15.308137033742 25161549 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F 1 4.401 2 3 -10.0897858751184 25161548 CC1=CC=CC=C1OCCC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 3.014 4 4 0 -9.91321221739779 25161547 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N(C)CC3=C(C(=CC=C3)OC)OC)C 1 3.27 1 5 -11.7041334585669 25161546 CN(C)C(CNC(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CC=C)C4=CC=CC=C4 1 4.377 4 2 -36.2336515037328 25161545 CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 1.373 3 5 0 -19.7582707898974 25161544 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC=C(S3)[N+](=O)[O-] 1 1.987 3 6 0 -12.8902111663541 25161543 CCOC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.673 3 6 0 -22.383930973408 25161542 CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OC(C)C(=O)NC2=CC=CC=C2OC)C 1 3.215 2 5 0 -19.6372371923935 25161541 CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)CSC(C)C(=O)NC2=NOC(=C2)C 1 3.078 3 5 0 -23.1002982187618 25161540 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F 1 2.557 3 5 0 -10.767797373721 25161539 CCCCC1CCC(CC1)C(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC(C)C)N 1 2.813 4 4 0 -15.1694661180032 25161538 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2N3CCCC3 1 2.692 3 3 -9.90687750600549 25161537 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NNC(=O)C2=CSC(=N2)N3CCOCC3 1 0.907 5 5 0 -9.74419154030481 25161536 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 2.575 2 5 0 -22.9434126729599 25161535 CC1=CC=C(C=C1)SCC(=O)OCC(=O)NC(C)C2=CC=C(C=C2)F 1 3.791 1 3 -11.0895579784519 25161534 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3CC(=O)N(C3)CC4=CC=CC=C4 1 2.816 3 2 -9.77085641530648 25161533 CC1CCCCC1NC(=O)C(C)SC2=NN=C(N2N)C3=CC=CO3 1 2.827 5 2 0 -13.4001328067885 25161532 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)N(C)CC2=CC=CC=C2 1 2.646 1 5 -19.4776709307896 25161531 CC(C1=CC=C(C=C1)F)NC(=O)COC(=O)CC2=CC=CS2 1 2.899 1 3 -13.0692650705546 25161530 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F 1 3.222 2 4 -15.8728399254839 25161529 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NNC(=O)C3=CC=CC=C3C 1 1.648 3 5 0 -23.6232509251285 25161528 CC1=CC(=CC=C1)NC(=O)CSCC(=O)N(C)CC2=CC3=C(C=C2)OCCO3 1 2.552 2 4 -12.8932082908843 25161527 CC1=CC=C(C=C1)SCC(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2 1 1.338 1 5 0 -18.9058421357776 25161526 CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C 1 4.202 5 2 0 -9.88466948084611 25161525 CC12CCC(=O)N1C(CS2)C(=O)N(C)CC3=CC(=C(C=C3)Cl)Cl 1 2.46 2 2 -4.90307859114125 25161524 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 3.13 3 4 0 -26.2721329078385 25161523 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NNC(=O)C2COC3=CC=CC=C3O2 1 2.016 3 6 0 -14.9024900418019 25161522 CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 2.451 5 6 0 -11.4328221972171 25161521 CC12CCC(=O)N1C(CS2)C(=O)N(C)CC3=C(C(=CC=C3)OC)OC 1 1.099 2 4 0 -7.72928435541987 25161520 CC1=CC=C(S1)C(=O)NCC(=O)N(C)CC2=C(C=C(C=C2)Cl)Cl 1 3.315 2 2 -8.35051705806696 25161519 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC2COC3=CC=CC=C3O2)C 1 2.236 2 5 0 -13.9739701193195 25161518 C1CCN(C1)C(=S)SCC(=O)N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C4CC4 1 4.161 4 2 -10.9290919620616 25161517 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)OC 1 2.821 3 6 0 -15.2714138573381 25161516 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3CC3 1 1.615 3 3 0 -20.9469729390249 25161515 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCNS(=O)(=O)C2=CC=CC=C2C(F)(F)F 1 3.069 2 5 0 -17.0604125633167 25161514 CC1CN(C(=NC2=CC=C(C=C2)Cl)S1)C(=O)C3CCN(CC3)C4=C5C(=C(SC5=NC=N4)C)C 1 6.014 5 1 -0.98317797899797 25161513 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCCC4 1 3.413 4 5 0 -15.2414902541183 25161512 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCN(CC3)C4=C5C(=C(SC5=NC=N4)C)C)C 1 3.887 5 3 0 -12.9074501500961 25161511 C1CCC(CC1)(CNC(=O)C2=CC=C(S2)Cl)N3CCCCC3 1 4.22 2 1 -4.34957619390747 25161510 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4CCC(CC4)C(C)(C)C 1 3.515 4 4 0 -17.9565462426258 25161509 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(C)C(=O)N(C)C3=CC=CC=C3 1 4.319 2 4 -9.79127549758571 25161508 CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.795 3 2 -8.14801999005975 25161507 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC(=CC=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCCC4 1 3.413 4 5 0 -15.2461879182129 25161506 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 4.083 3 2 -9.57642896332829 25161505 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CCCOC2=CC=CC=C2 1 3.044 2 3 -16.384162220352 25161504 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-] 1 2.575 5 5 0 -18.3715463502218 25161503 COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CCCCC3 1 2.81 2 5 0 -25.3796782947347 25161501 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)[C@H]([C@@H](C)O)N4C=C(N=N4)CCCC[NH3+])N5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 -1 16 6 0 -18.3134004938063 25161500 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCN3CCOCC3 1 1.906 3 4 0 -20.670481869161 25161499 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCCC4 1 3.108 5 3 0 -13.1819476863677 25161498 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)S(=O)(=O)N4CCOCC4 1 1.374 3 7 0 -23.2001530317747 25161497 C1CN(CCN1C(=O)C2=CC3=C(C=C2)N=CN3)S(=O)(=O)C4=CC(=CC=C4)Cl 1 2.008 4 3 0 -17.6470260476426 25161496 CN(CCOC1=CC=C(C=C1)Cl)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.968 3 5 0 -16.1452539805996 25161495 COC1=CC(=CC(=C1)C(=O)NCC(=O)N2CCCCCCC2)OC 1 2.1 2 4 -14.4614430344122 25161494 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)N(C)CC3=CC(=C(C=C3)OC)OC 1 3.244 2 5 0 -16.9905631945132 25161493 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)N(C)CC(=O)NC3=CC(=CC=C3)F)C 1 1.67 4 4 0 -10.794366452364 25161492 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)CC3=CC=CC=C3 1 2.915 3 3 -18.5376838580104 25161491 C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCCSC2=CC=C(C=C2)Br 1 2.987 2 3 -14.6886217865161 25161490 CCC1=NOC(=C1C(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C)C 1 3.99 2 5 0 -17.97789232726 25161489 CCCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.829 2 4 -25.8798771003348 25161488 CCC1=CC=CC=C1OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3 1 4.369 2 4 -18.3029943134807 25161487 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)CC(=O)OC)OC 1 2.708 1 8 0 -25.9004041522278 25161486 C1CN(CCN1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.051 3 5 0 -19.3430743500809 25161485 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 2.744 2 4 -14.8902062339655 25161484 CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3CCN(CC3)C4=C5C(=C(SC5=NC=N4)C)C 1 4.853 6 1 0 -2.87790398291272 25161483 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2CCCO2 1 0.532 2 4 0 -16.2966640347313 25161482 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NCCC3=CC=C(C=C3)F 1 3.597 2 3 -14.6472854333237 25161481 CN(CCOC1=CC=C(C=C1)Cl)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 4.492 3 4 0 -13.8559719914429 25161480 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)C 1 2.568 3 4 0 -23.0713588516883 25161478 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)CN3C=C(N=N3)CCCN=C([NH3+])N)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 -2.446 18 5 0 -21.6150427515225 25161477 C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N 1 2.013 4 5 0 -5.51449748024681 25161476 CC(C)(C)C1=C/C(=C\2/NC(=NC(=N2)N)N)/C(=O)C(=C1)C(C)(C)C 1 2.868 5 1 -3.82967249013022 25161475 CCC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)NC(C)C 1 3.642 3 1 -17.6746846018933 25161474 C1=CC=NC(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O 1 1.81 3 4 0 -4.58050110933988 25161472 CC1=CC=C(C=C1)CNCC2=C(C=CC(=C2)Cl)O.Cl Cl- 1 3.859 1 1 10.5728913499633 25161470 C1=CC(=CC=C1CNCC2=C(C=CC(=C2)Cl)O)F.Cl Cl- 1 3.579 1 1 11.2847683754286 25161469 C1CCC(CC1)C2CCC3=C(C2)C(=NN3)C(=O)NN 1 2.552 4 1 -7.07990170450036 25161467 C1=CC(=CC=C1CNCC2=C(C=CC(=C2)Cl)O)C(F)(F)F.Cl Cl- 1 4.315 1 1 14.1686582372956 25161466 CCC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)NCC3=CC=C(C=C3)OC 1 4.483 3 2 -15.4509115028477 25161465 C1=CN=CC=C1CNC2=CC(=C(C=C2C(=O)N)[N+](=O)[O-])Cl 1 1.632 4 3 0 -1.94057810235644 25161464 C1CCC(CC1)NC(=O)C2=NNC3=C2CC(CC3)C4=CC=CC=C4 1 4.436 3 1 -7.45541185695194 25161463 CCC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)NCCNC(=O)OC(C)(C)C 1 3.682 4 3 0 -19.6027515030981 25161462 C1CCC(CC1)C2CCC3=C(C2)C(=NN3)C(=O)O 1 3.672 2 2 -5.80332733346787 25161461 C1=CC(=CN=C1)CNC2=CC(=C(C=C2C(=O)N)[N+](=O)[O-])Cl 1 1.632 4 3 0 -3.93946305198972 25161460 CCC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)NCC3=CC=CC=N3 1 3.564 4 1 -17.2426988871513 25161459 CCC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)NCC=C 1 3.532 3 1 -19.0182817189093 25161458 CCC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)NC3CCCCC3 1 4.774 3 1 -13.9142344912641 25161457 CCC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)NCC3CC3 1 3.736 3 1 -15.4155911139891 25161456 CCC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)NCCN3CCOCC3 1 2.742 4 2 -17.3805074655693 25161455 C1CCC(CC1)NC(=O)C2=NNC3=C2CCCCC3 1 3.608 3 1 -10.8171355101223 25161454 C1=CC=NC(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N 1 1.183 4 3 0 -3.95658608710892 25161453 C1=CC(=C(C=C1[N+](=O)[O-])C(=O)N)NCC2=NC=CN=C2 1 3.2e-002 5 3 0 -5.81524144462876 25161452 C1=CC=C2C(=C1)C=CC=C2CNC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N 1 3.027 3 3 -0.540372199428103 25161451 C1=CC(=CC=C1CNCC2=C(C=CC(=C2)Cl)O)[N+](=O)[O-] 1 3.268 2 3 8.06704349969238 25161450 CCC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)O 1 3.337 2 2 -9.47950288117845 25161449 C1=CC(=CC(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N)CN 1 1.224 4 3 0 -6.58581968021414 25161448 C1=CC(=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N)C(=O)O 1 1.748 3 5 0 -5.21912045372354 25161447 CCCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3.Cl Cl- 1 1.083 3 4 0 -17.8116072448801 25161445 CC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CO2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N)C 1 2.826 4 5 0 -8.96462319431165 25161444 C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NN=C(O3)C4=CC=CC=C4)N 1 1.053 5 4 0 -12.907148064332 25161443 CCOC1=C/C(=C/NNC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F)/C=CC1=O 1 2.816 2 4 -5.21844067938228 25161442 CC1CC2C(C[C@]3(C(O2)CC(C(O3)/C(=C\CO)/C)O)C)OC4C1OC5CC6[C@](CC7[C@](O6)(C/C=C\C8[C@@H](O7)CC9C(O8)CC1[C@@](O9)(C(CC(O1)CC(=C)C=O)O)C)C)(O[C@@]5(CC4)C)C 1 1.39 0 14 0 -5.16615120521122 25161440 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](CCCC[NH3+])N4C=C(N=N4)CC(C)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 -0.368 18 6 0 -21.4126123746026 25161438 C[C@H]([C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](CCCC[NH3+])N4C=C(N=N4)CCC(=O)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+])O.[Cl-] Cl- 1 -2.597 16 8 0 -23.1264141123252 25161436 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](C)N4C=C(N=N4)CCCN=C([NH3+])N)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 -0.179 18 5 0 -20.3085524256376 25161434 CC(CC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)[C@H](CCCC[NH3+])N5C=C(N=N5)CC(C)O)O.[Cl-] Cl- 1 -2.168 16 7 0 -14.914114270953 25161432 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](CCCC[NH3+])N4C=C(N=N4)CC(C)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 -0.679 16 6 0 -19.7248888620124 25161430 C[C@H]([C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](CCCC[NH3+])N4C=C(N=N4)CC(C)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+])O.[Cl-] Cl- 1 -2.489 16 7 0 -16.6027455016473 25161428 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)[C@H](CCCC[NH3+])N3C=C(N=N3)CCC(=O)O)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 -2.571 16 7 0 -31.4573577803716 25161426 CCCCC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCCN=C([NH3+])N)NCCOCCOCCOCC#C.[Cl-] Cl- 1 -0.526 18 5 0 -28.499856381047 25161424 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCCC[NH3+])NCCOCCOCCOCC#C)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 -0.663 18 5 0 -29.2349995865787 25161422 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)[C@H]([C@@H](C)CC)N4C=C(N=N4)CCCN=C([NH3+])N)N5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 1.121 18 5 0 -20.2251496185283 25161420 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)[C@H](CCCC[NH3+])N3C=C(N=N3)CCC(=O)O)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 -2.26 18 7 0 -33.1450812929618 25161418 CC(CC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCCN=C([NH3+])N)NCCOCCOCCOCC#C)O.[Cl-] Cl- 1 -2.151 18 6 0 -27.0612559571917 25161416 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCCC[NH3+])NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 -0.974 16 5 0 -27.0610163289803 25161414 CC(CC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)[C@H](CCCC[NH3+])N5C=C(N=N5)CCC(=O)O)NCCOCCOCCOCC#C)O.[Cl-] Cl- 1 -2.276 16 8 0 -20.5235582579912 25161412 CCCCC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)[C@H]([C@@H](C)CC)N5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 0.947 16 5 0 -21.0851216037291 25161410 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](CCCC[NH3+])N4C=C(N=N4)CCC(=O)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 -0.787 16 7 0 -25.948645818851 25161408 CCCCC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCCC[NH3+])NCCOCCOCCOCC#C.[Cl-] Cl- 1 -0.837 16 5 0 -26.8121328684568 25161406 C[C@H]([C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCCN=C([NH3+])N)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+])O.[Cl-] Cl- 1 -2.473 18 6 0 -26.1360273339939 25161404 CCCCC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)[C@H]([C@@H](C)O)N5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 -0.863 16 6 0 -18.2044486543514 25161402 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCCN=C([NH3+])N)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 -0.663 18 5 0 -29.2349995865787 25161401 CC[C@H](C)CC1=CN(N=N1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)N5C=C(N=N5)CCCCN=C(N)N 1 8.129 22 7 0 -29.594216294023 25161400 CC[C@H](C)CC1=CN(N=N1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)N5C=C(N=N5)CCCCCN 1 6.532 20 8 0 -26.8656455875657 25138424 CN1C(=O)[C@@](N=C1N)(CC2=CC=C(C=C2)O)[C@H](C3=CC=C(C=C3)OC)OC 1 2.326 3 4 0 4.54387460576404 25137775 C1CCN(CC1)CCC(C2C[C@H]3C[C@@H]2C=C3)(C4=CC=CC=C4)O.Cl Cl- 1 3.648 1 1 3.96483577387644 25137774 CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)C3=CC(=C(C=C3)OC)OC.Cl Cl- 1 2.281 1 4 -12.7736019059349 25108825 CCCCCCC[C@@H]([C@@H](C(=O)N(C)[C@@H](CCS(=O)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)O)N 1 -1.044 3 7 0 -12.1016550905544 25108824 C[C@@H]1CC2C(C[C@]3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7[C@](CC8[C@@](O7)(C/C=C\C9C(O8)CC1C(O9)CC2[C@@](O1)([C@H](C[C@H](O2)CC(=C)COC(=O)C1=CC2=CC=CC=C2C=C1)O)C)C)(O[C@@]6(CC5)C)C 1 4.904 0 15 0 -7.48054816118793 25108823 C[C@@H]1[C@@H](O[C@@H]2C[C@H]3[C@@](CC[C@@H]([C@@](O3)(C)C[C@H]4C[C@@H]([C@H]5[C@H](O4)CC[C@]6([C@H](O5)C[C@@H]([C@H](O6)C)O)C)O)O)(O[C@H]2[C@H]1O)C)CC/C=C(\C)/C(=C/C=O)/C 1 1.941 0 11 0 -7.45959428299146 25108822 C[C@@H]1CC2C(C[C@]3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7[C@](CC8[C@](O7)(C/C=C\C9C(O8)CC1C(O9)CC2[C@@](O1)(C(CC(O2)CC(=C)C=O)O)C)C)(O[C@@]6(CC5)C)C 1 2.208 0 14 0 -4.9151549375882 25102778 CC1=CC=C(C=C1)[C@@H]2CC=C(CN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)O 1 3.729 1 4 -8.85893055193531 25102777 CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2C3=CC=CC=C3)C(=O)O)C4=CC(=CC=C4)OC 1 4.838 1 5 -7.56025324400889 25102776 CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2C3=CC=CC=C3)C(=O)O)C4=CC(=CC=C4)C 1 5.341 1 4 -7.64379011351873 25102775 CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2C3=CC=C(C=C3)F)C(=O)O)C4=CC(=C(C(=C4)OC)OC)OC 1 5.011 1 7 0 -12.7435211399769 25102774 CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2C3=CC=C(C=C3)F)C(=O)O)C4=CC5=C(C=C4)OCO5 1 4.828 1 6 0 -9.54588849621505 25102773 CC1=CC=CC=C1C2=CC(=NN2CC3CC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O 1 4.186 4 5 0 -4.81164661778651 25102772 CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC(=CC=C4)Br)N 1 3.332 4 2 -5.4761420686375 25102771 CCCCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)C)N3CCC4(CC3)CC(=NO4)C5=CC(=CC=C5)Br 1 7.35 4 3 0 -10.3878327056122 25102770 COC1=CC(=CC(=C1OC)OC)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.316 3 6 0 -18.5720738794858 25102769 C[C@]12[C@H]([C@H]3COC4=C([C@@H]3N1C(=O)C5=CC(=C(C=C5NC2=O)OC)OC)C=CC(=C4)OC)C6=CC=CC=C6 1 3.313 2 6 0 -6.53851002880659 25102768 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)NC5=C(C4=O)C=C(C=C5)OC)C)C=CC(=C3)OC 1 1.872 2 7 0 -10.4004931228827 25102767 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)NC5=C(C4=O)C=C(C=C5)C)C)C=C(C=C3)OC 1 2.375 2 6 0 -9.18078734130586 25102766 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)NC5=C(C4=O)C=C(C=C5)C)C)C=CC(=C3)OC 1 2.375 2 6 0 -8.81416552390637 25102765 C[C@]12[C@H]([C@H]3COC4=C([C@@H]3N1C(=O)C5=CC(=C(C=C5NC2=O)OC)OC)C=C(C=C4)Cl)C6=CC=CC=C6 1 3.994 2 5 0 -3.88667699467065 25102764 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CSCC3=CC(=CC=C3)Cl 1 2.025 4 5 0 -13.6049694784661 25102763 CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.O.Cl Cl- H2O 1 3.012 1 7 0 -7.38896161312611 25102762 C1[C@@H](N(C(=N1)NC2=CC=CC=C2)CCCCC3=CC=CC=C3)CC4=CC=CC=C4 1 5.981 3 0 -1.15280648381099 25102761 C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C=CC(=C8)N=C(N)N.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 2.814 5 3 0 4.17183227569329 25102760 CC1=CC=C(C=C1)C(=O)CN(CCC(=O)O)C(=O)C2=CC=NC=C2 1 1.565 2 4 0 -10.1186776797169 25102759 CC1=CC=C(C=C1)C(=O)CN(CCCC(=O)N)C(=O)C2=CC=NC=C2 1 1.258 3 3 0 -9.98083042548635 25102758 COC1=CC=C(C=C1)C2=CN(C(=N2)C3=CN=C(C=C3)Cl)CC4=CC=C(C=C4)C(=O)N 1 4.087 4 2 -3.5149315764003 25102757 COC1=CC2=NN3CCN=C(C3=C2C=C1)C4=CC(=C(C(=C4)Cl)N)Cl 1 4.157 4 1 1.05915512936295 25102756 CC1=CC2=C(C=C1)OC[C@H]3[C@H]2N4C(=O)C5=C(C=C(C=C5)Cl)NC(=O)[C@]4([C@H]3C6=CC=CC=C6)C 1 4.513 2 3 -0.886848872188659 25102755 CC1=CC2=C(C=C1)C(=O)N3[C@@H]4[C@H](COC5=CC=CC=C45)[C@@H]([C@@]3(C(=O)N2)C)C6=CC=CC=C6 1 3.849 2 3 -3.3064410191186 25102754 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)NC5=C(C4=O)C=C(C=C5)C)C)C=C(C=C3)Cl 1 3.056 2 5 0 -6.06460258949605 25102753 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)NC5=CC(=C(C=C5C4=O)F)F)C)C=C(C=C3)OC 1 2.3 2 6 0 -8.59810782768837 25102752 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)NC5=C(C4=O)C=C(C=C5)OC)C)C=C(C=C3)OC 1 1.872 2 7 0 -10.7671149402822 25102751 CCOC(=O)[C@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@]1(C(=O)NC5=CC(=C(C=C5C4=O)F)F)C 1 2.316 2 5 0 -7.86624652780342 25102750 CCOC(=O)[C@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@]1(C(=O)NC5=C(C4=O)C=C(C=C5)Br)C 1 2.653 2 5 0 -7.93577059893553 25102749 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)NC5=C(C4=O)C=C(C=C5)OC)C)C=C(C=C3)Cl 1 2.553 2 6 0 -7.15351314189103 25102748 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)NC5=C(C4=O)C=CC(=C5)C)C)C=C(C=C3)OC 1 2.375 2 6 0 -9.09449263480031 25102747 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)NC5=C(C4=O)C=CC(=C5)F)C)C=CC(=C3)OC 1 2.094 2 6 0 -8.08935798459306 25102746 CCOC(=O)[C@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@]1(C(=O)NC5=C(C4=O)C=CC(=C5)Cl)C 1 2.569 2 5 0 -6.94661364476752 25102745 CCOC(=O)[C@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@]1(C(=O)NC5=C(C4=O)C=C(C=C5)C)C 1 2.391 2 5 0 -8.44892604142091 25102744 CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2C3=CC=C(C=C3)Cl)C(=O)O)C4=CC(=CC=C4)C 1 6.005 1 4 -5.04032565747363 25102743 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)NC5=CC=CC=C5C4=O)C)C=C(C=C3)C 1 2.391 2 5 0 -9.13774368709717 25102742 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-12.9219092796871 25102441 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)C)Cl 1 3.556 2 6 0 -22.4183252797376 25102440 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=C(C3=C(O2)C=CC(=C3)OCC)C 1 2.763 3 5 0 -3.66047866339541 25102439 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-] 1 0.715 4 6 0 -22.2506299631079 25102438 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCCN3C=CN=C3)[N+](=O)[O-] 1 1.71 5 5 0 -10.8885352965512 25102437 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 1.654 6 5 0 -21.0546590623058 25102436 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=C(O2)[N+](=O)[O-])N 1 1.604 5 6 0 -9.75862516731021 25102435 CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)/C=C/C2=CC=CC=C2 1 2.765 2 6 0 -19.6918740177667 25102434 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)NC(=O)N4)F 1 0.194 4 7 0 -33.4346721638424 25102433 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CSCC(=O)NC2=CC=C(C=C2)OC 1 2.289 3 4 0 -16.1773253823178 25102432 COC1=C(C=CC(=C1)C(=O)NNC(=O)COC2=CC(=CC=C2)F)OCC(=O)N3CCOCC3 1 0.833 3 7 0 -18.3580080827568 25102431 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 0.401 4 7 0 -20.5894235817032 25102430 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)COC3=CC=C(C=C3)C(=O)C 1 1.727 4 7 0 -16.6550667671444 25102429 CC1=CC=CC=C1C(=O)NNC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.415 3 5 0 -15.844593078937 25102428 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)O)OC 1 2.361 4 7 0 -7.88068677088166 25102427 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NC(=CC(=N3)N)N 1 0.626 6 4 0 -26.9755608553707 25102426 C[C@@]1(C2[C@@H](C3[C@@H](C(=O)/C(=C(/N)\O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.O H2O 1 -1.586 2 9 0 -0.446111833776124 25102425 CC[C@H]1CN2CCC3=CC(=C(C=C3C2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.O.Cl Cl- H2O 1 4.945 2 4 -10.058959023982 25102424 C1=CC(=C(C=C1N)O)C(=O)[O-].O.[Na+] H2O Na+ 1 -1.003 1 3 0 1.09589555112858 25102423 C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC(CO)(CO)CO 1 -0.944 3 6 0 -14.2381870776423 25102422 C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)S(=O)(=O)C4=CC=C(C=C4)Cl 1 0.761 4 5 0 -16.257002340286 25102421 C1C[C@@H](N(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)O 1 1.211 2 4 0 -12.6446199382589 25102420 C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)O 1 1.211 2 4 0 -12.6446199382589 25102419 COC1=CC(=CC(=C1OC)OC)NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.475 3 6 0 -17.2071661970595 25102418 CCOC(=O)C1=NN(C(=C1)C2=CC=CC=C2C)CC3CC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.76 4 5 0 -6.42243275508393 25102417 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)N3C=CC=C3 1 3.242 3 2 -8.11216564890972 25102416 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4 1 1.851 4 5 0 -6.41309315626532 25102415 CC1=CC=C(O1)C(=O)OCC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC 1 2.252 2 7 0 -8.60255369565652 25102414 COC1=CC=CC(=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.349 3 4 0 -14.0310756278663 25102413 COC1=CC(=CC(=C1OC)OC)NC(=O)[C@H]2CCCN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.316 3 6 0 -18.5720738794858 25102412 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CNC(=O)C=C3 1 0.149 4 6 0 -13.5412226621481 25102411 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCC3=CC=CC=C3 1 1.32 4 6 0 -13.7784870437633 25102410 CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)C(C)OC3=CC=C(C=C3)Br)N 1 3.633 4 5 0 -8.35777144414271 25102409 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F 1 3.9 2 4 -18.7430008104373 25102408 C1=CC(=C(C(=C1)Cl)Cl)/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 2.981 3 4 0 -11.8138935642097 25102407 C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)NCC(=O)NC4=CC=CC=C4Br 1 2.807 4 3 0 -29.0502079661618 25102406 CCOCCN1C(=O)C2=CC=CC=C2N1 1 1.23 2 2 0 -4.10694107609851 25102405 CCOC1=C2C=CC=CC2=NN1CCO 1 1.734 2 2 0 -0.288700436275279 25102404 C=CCOCCN1C(=O)C2=CC=CC=C2N1 1 1.498 2 2 0 -5.21593305506407 25102403 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC4(CC3)CC(=NO4)C5=CC(=CC=C5)Br)NC(=O)C6=CC(=CC=C6)OC 1 6.044 4 4 0 -7.57490407334187 25102402 CCCNC(=O)C1(CCN(CC1)C(=O)C2CCCC2)CC3CC(=NO3)C4=CC=CC=C4 1 3.447 3 3 -11.4078042239281 25102401 CCCNC(=O)C1(CCN(CC1)C(=O)C2=CC=CC=C2)CC3CC(=NO3)C4=CC=CC=C4 1 3.441 3 3 -12.4566762686011 25102400 CC(C)(C)OC(=O)N1CCC(CC1)(CC2CC(=NO2)C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4 1 4.062 3 4 0 -11.8923126579672 25102399 CCCCCCCNC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC2CC(=NO2)C3=CC=CC=C3 1 5.176 3 4 0 -14.300372891546 25102398 CCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 0.621 3 8 0 -28.3959370017118 25102397 CC1=C(C(=CC=C1)C)OCC(=O)NNC(=O)CNC(=O)C2=CC=C(C=C2)OC(F)F 1 2.544 3 5 0 -13.652247450736 25102396 CC1=CC=C(C=C1)OCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 3.651 2 4 -11.6195737486501 25102395 C1=CSC(=C1)C(=O)NNC(=O)COC(=O)C2=C(C=CC(=C2)Br)O 1 2.038 2 5 0 -9.57698368444628 25102394 CC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)OC3=CC=C(C=C3)Cl 1 2.504 2 4 -8.7334309914872 25102393 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=C(C=CC(=N3)Cl)Cl 1 2.547 2 5 0 -13.8518654178022 25102392 CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 2.211 2 6 0 -30.6584429062442 25102391 CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CSC(=S)N2CCCC2 1 3.802 3 2 -17.3866747057938 25102390 C1CN2C(=C3C=CC=CC3=N2)C(=O)N1 1 1.134 3 1 0 -4.25712413265146 25102389 CC1=CC=C(C=C1)C(=O)C2=C3C=CC=CC3=[N+](N2CCC(=O)O)[O-] 1 2.884 2 4 -4.7784254208033 25102388 COC1=CC2=[N+](N3CCN=C(C3=C2C=C1)C4=CC(=C(C(=C4)Cl)N)Cl)[O-] 1 3.313 4 2 1.21048082071842 25102387 COC1=CC=C(C=C1)C2=NCCN3C2=C4C=CC(=CC4=N3)OC 1 3.558 3 2 1.26118175036481 25102386 COC1=CC2=[N+](N3CCN=C(C3=C2C=C1)C4=CC=C(C=C4)Cl)[O-] 1 3.395 3 2 3.86313295162937 25102385 CC1=CC=C(C=C1)C2=NCCN3C2=C4C=CC(=CC4=N3)OC 1 4.061 3 1 1.88980856968709 25102384 COC1=CC=C(C=C1)C2=CN(C(=N2)C3=CN=C(C=C3)Cl)CCC(=O)O 1 3.231 3 3 -3.02936048634224 25102383 CC1=CC=C(C=C1)C(=O)CN(CCCC(=O)N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.006 3 6 0 -14.7283690164389 25102382 COC1=CC=C(C=C1)C2=CN(C(=N2)C3=CN=C(C=C3)Cl)CCO 1 2.962 3 2 2.97798380623638 25102381 C1=CC(=NC=C1C2=NC(=CN2CCC(=O)O)C3=CC(=C(C(=C3)Cl)N)Cl)Cl 1 3.829 4 2 -5.13222582446808 25102380 C1=CN=CC=C1C2=NC(=CN2CCC(=O)O)C3=CC(=C(C(=C3)Cl)N)Cl 1 2.956 4 2 -3.0658560805729 25102379 COC1=CC=C(C=C1)C(=O)C2=C3C=CC=CC3=[N+](N2CC4=CC=C(C=C4)C(=O)N)[O-] 1 3.237 3 4 0 -4.448850054132 25102378 C1=CC(=CC=C1C2=CN(C(=N2)C3=CC=NC=C3)CCC(=O)O)F 1 2.579 3 2 0.184327065502216 25102377 COC1=CC=C(C=C1)C(=O)CN(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.81 2 8 0 -15.8866561408094 25102375 COC1=NC(=NC(=N1)NCCOCCOCCOCC#C)N2CCN(CC2)C(=O)[C@H](CCC(=O)O)N3C=C(N=N3)C(CO)N.Cl Cl- 1 -3.29 10 8 0 -21.1421066288841 25102374 COC1=CC=C(C=C1)C2=CN(C(=N2)CCN)CCO 1 0.861 3 2 0 1.26314811871212 25102373 COC1=CC=C(C=C1)C2=CN(C(=N2)C3=CC=NC=C3)CCN 1 1.799 4 1 0 3.57812125124365 25102372 COC1=CC=C(C=C1)C2=CN(C(=N2)CCN)CC3=CC=C(C=C3)C(=O)N 1 1.986 4 2 0 -5.22976726392455 25102370 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](CC4=CC5=CC=CC=C5N4)N6C=C(N=N6)[C@H](CC(C)C)N)NCCOCCOCCOCC#C)N7C=C(N=N7)[C@H](CC8=CC=C(C=C8)O)N.Cl Cl- 1 4.837 17 6 0 -8.64965442142112 25102368 CC(C)C[C@@H](C1=CN(N=N1)[C@@H](CCCCN)C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)[C@H](CCCCN)N5C=C(N=N5)[C@H](CO)N)N.Cl Cl- 1 -0.677 18 6 0 -17.7597619413898 25102366 CCC(C)[C@@H](C1=CN(N=N1)[C@@H](CCCCN)C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)[C@H](CC5=CC6=CC=CC=C6N5)N7C=C(N=N7)[C@H](C(C)CC)N)NCCOCCOCCOCC#C)N.Cl Cl- 1 3.512 18 5 0 -12.8409492916051 25102365 C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 1.308 6 4 0 -13.5522544305261 25102364 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=C(ON=C2C3=CC=CC=C3)C)N 1 2.736 5 4 0 -10.9796762906933 25102363 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4 1 1.72 4 6 0 -7.41148733459205 25102362 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=C(S2)Br)Br)N 1 3.459 4 3 0 -8.89270029520255 25102361 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC(=NC3=CC=CC=C32)Cl)N 1 3.638 5 3 0 -12.302993233321 25102360 CC1=CC(=C(O1)C)C(=O)NNC(=O)C2=CC=CS2 1 1.219 2 3 0 -10.0280901379055 25102359 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])N 1 2.519 6 5 0 -14.0336451860564 25102358 CN(CC(=O)NNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)OC)S(=O)(=O)C2=CC=C(C=C2)Cl 1 0.193 4 7 0 -15.6280910753399 25102357 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 2.705 3 4 0 -26.048705832118 25102356 CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)NC(=O)N4 1 2.483 5 2 0 -19.5134527736327 25102355 CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=O)CC2C3=CC=CC=C3C(=O)O2 1 2.594 2 5 0 -7.42828099990479 25102354 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)N 1 4.665 5 3 0 -8.24377164384912 25102353 C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CC3=CC=CC=C3)C(=O)COC4=CC=C(C=C4)[N+](=O)[O-])N 1 2.566 5 6 0 -9.81724353269679 25102352 CCC1=NOC(=C1C(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C 1 1.994 5 4 0 -16.0483467805332 25102351 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 2.29 2 7 0 -9.37878127199132 25102350 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)NC(=O)N4)Cl 1 0.653 4 7 0 -33.4252610817856 25102348 CCC(C)C(C1=CN(N=N1)C(CCC(=O)O)C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)C(CC5=CC6=CC=CC=C6N5)N7C=C(N=N7)C(CC8=CC=C(C=C8)O)N)NCCOCCOCCOCC#C)N.Cl Cl- 1 0.829 17 8 0 -11.7001248612503 25102347 COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC4=CC=CC=C43)O.O.Cl Cl- H2O 1 3.962 2 3 -2.25652901091483 25102346 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 3.237 4 3 0 -27.6336808242787 25102345 CC(C(=O)NC1(CCCCC1)C#N)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-] 1 2.488 4 6 0 -23.879852792179 25102344 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NCCOC2=CC=CC=C2OC 1 3.026 2 5 0 -17.9574835882192 25102343 C1CN(CCN1C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)N 1 1.375 4 6 0 -8.96384562159346 25102342 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC=N4 1 3.227 3 3 -19.2119836492539 25102341 CC1=CN=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 3.713 3 3 -21.5319584389089 25102340 CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)C(=O)NC2CCCCC2C)C 1 3.628 2 5 0 -18.0108488015598 25102339 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C2=C(C=CS2)C3=CC=CC=C3 1 4 2 3 -7.42856857225349 25102338 C1CN(CCC1C(=O)NCCCN2CCOCC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 1.458 3 4 0 -18.176554857283 25102337 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCCN3CCCC3=O)C 1 2.06 3 5 0 -26.2233569529297 25102336 CC1=CC=C(C=C1)CNC(=O)C2=NN(C(=C2)C3=CC=CC=C3C)CC4CC(=NO4)C5=CC(=CC=C5)[N+](=O)[O-] 1 5.834 5 4 0 -9.26365981043132 25102335 CC1=CC=CC=C1C2=CC(=NN2CC3CC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NCC5=CC=CS5 1 5.088 5 4 0 -12.0210092847994 25102333 CC(CC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)[C@H](CC5=CC=C(C=C5)O)N6C=C(N=N6)CCO)NCCOCCOCCOCC#C)O.[Cl-] Cl- 1 -0.147 15 8 0 -10.1473376106431 25102332 C[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCOCC3)N4C=C(N=N4)CCC(=O)O 1 -5.6e-002 10 7 0 -20.1531783496969 25102330 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H]([C@@H](C)CC)N4C=C(N=N4)CCC(=O)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 1.907 17 7 0 -24.8992020938208 25102328 CCCCC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CN5C=C(N=N5)CC(C)O)NCCOCCOCCOCC#C.[Cl-] Cl- 1 5.8e-002 15 6 0 -25.5747512286577 25102326 C[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCCC[NH3+])NCCOCCOCCOCC#C)N5C=C(N=N5)CCC(=O)O.[Cl-] Cl- 1 -1.487 15 7 0 -29.1159161916075 25102324 C[C@H]([C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CC(C)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+])O.[Cl-] Cl- 1 -1.889 15 7 0 -23.0478194527558 25102323 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)CN3C=C(N=N3)CCO)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCO 1 -1.723 14 7 0 -16.3400571173525 25102322 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](C(C)C)N4C=C(N=N4)CCO)NCCOCCOCCOCC#C)N5C=C(N=N5)CCC(=O)O 1 1.657 14 8 0 -21.156808328835 25102320 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCOCC2)N3CCN(CC3)C(=O)[C@H](CCC(=O)O)N4C=C(N=N4)C(CO)N.Cl Cl- 1 -4.044 11 8 0 -21.1661601568433 25102318 CC(C)CC(C1=CN(N=N1)[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCOCC4)N.Cl Cl- 1 -1.924 11 7 0 -23.0213477982891 25102316 CCC(C)[C@@H](C1=CN(N=N1)[C@@H](CCCCN)C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)[C@H](CCCCN)N5C=C(N=N5)[C@H](C(C)CC)N)N.Cl Cl- 1 1.578 18 5 0 -19.595376639892 25102314 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)[C@H](CCCCN)N3C=C(N=N3)[C@H](CO)N)N4CCN(CC4)C(=O)[C@H](CCCCN)N5C=C(N=N5)[C@H](CO)N.Cl Cl- 1 -2.797 18 7 0 -15.9041339987932 25102312 CC(C)C[C@@H](C1=CN(N=N1)[C@@H](CCCCN)C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)[C@H](CC5=CC6=CC=CC=C6N5)N7C=C(N=N7)[C@H](CC(C)C)N)NCCOCCOCCOCC#C)N.Cl Cl- 1 3.377 18 5 0 -11.2816348380111 25102310 CC(C)CC(C1=CN(N=N1)[C@@H](CCCCN)C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)[C@H](CCC(=O)O)N5C=C(N=N5)C(CC(C)C)N)NCCOCCOCCOCC#C)N.Cl Cl- 1 -1.254 17 7 0 -21.9682704814867 25102308 C[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)[C@H](C(C)C)N4C=C(N=N4)CCO)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 -0.118 17 6 0 -15.9339493622397 25102306 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCO)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 -0.146 17 6 0 -27.6244025512036 25102304 C[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCO)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 -1.445 17 6 0 -24.3465989728516 25102302 CC(CC1=CN(N=N1)CC(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCCN=C([NH3+])N)NCCOCCOCCOCC#C)O.[Cl-] Cl- 1 -1.552 17 6 0 -20.4479037882933 25102301 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)[C@H](CC3=CC=C(C=C3)O)N4C=C(N=N4)CCO)N5CCN(CC5)C(=O)CN6C=C(N=N6)CCO 1 7.5e-002 14 8 0 -16.9789642016151 25102299 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCOCC2)N3CCN(CC3)C(=O)[C@H](CCCC[NH3+])N4C=C(N=N4)CCC(=O)O.[Cl-] Cl- 1 -1.14 11 7 0 -23.1941080397459 25102297 CC(CC1=CN(N=N1)CC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)[C@H](CCCC[NH3+])N5C=C(N=N5)CC(C)O)O.[Cl-] Cl- 1 -1.568 15 7 0 -23.9239642390034 25102295 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)[C@H](CC3=CC=C(C=C3)O)N4C=C(N=N4)CCO)N5CCN(CC5)C(=O)CN6C=C(N=N6)CCCN=C([NH3+])N.[Cl-] Cl- 1 -0.131 17 7 0 -20.64335280041 25102293 CCCCC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCO)NCCOCCOCCOCC#C.[Cl-] Cl- 1 -0.32 15 6 0 -25.3739270537601 25102291 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)[C@H](CCCC[NH3+])N3C=C(N=N3)CCC(=O)O)N4CCN(CC4)C(=O)[C@H](CC5=CC=C(C=C5)O)N6C=C(N=N6)CCO.[Cl-] Cl- 1 -0.256 15 9 0 -15.6101083819912 25102289 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)CN3C=C(N=N3)CCO)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 -2.24 15 6 0 -18.4891134242356 25102287 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CC(C)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 -7.9e-002 15 6 0 -26.1699628131209 25102285 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCO)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 -0.457 15 6 0 -26.1090702592918 25102283 CC(CC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCO)NCCOCCOCCOCC#C)O.[Cl-] Cl- 1 -1.945 15 7 0 -23.2487587153739 25102281 CCCCC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCOCC4.[Cl-] Cl- 1 0.594 11 5 0 -19.512191588421 25102280 CC(CC1=CN(N=N1)CC(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCO)NCCOCCOCCOCC#C)O 1 -1.346 14 7 0 -16.108309665869 25102278 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](CC4=CC=C(C=C4)O)N5C=C(N=N5)CCO)NCCOCCOCCOCC#C)N6C=C(N=N6)CCCC[NH3+].[Cl-] Cl- 1 1.341 15 7 0 -13.6193085469776 25102276 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](CCCC[NH3+])N4C=C(N=N4)CC(C)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCC(=O)O.[Cl-] Cl- 1 0.107 15 8 0 -23.8847646434525 25102275 C[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)[C@H](C)N4C=C(N=N4)CCC(=O)O)N5C=C(N=N5)CCC(=O)O 1 -0.217 14 9 0 -17.957009916674 25102273 CCCCC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)[C@H]([C@@H](C)CC)N5C=C(N=N5)CCC(=O)O.[Cl-] Cl- 1 1.733 15 7 0 -25.9315652997 25102272 CC(C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](CC4=CC=C(C=C4)O)N5C=C(N=N5)CCO)NCCOCCOCCOCC#C)N6C=C(N=N6)CCO 1 1.402 14 8 0 -8.70624621207177 25102271 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](CC4=CC=C(C=C4)O)N5C=C(N=N5)CCO)NCCOCCOCCOCC#C)N6C=C(N=N6)CCC(=O)O 1 2.127 14 9 0 -17.0796962271328 25102269 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCOCC2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCCC[NH3+].[Cl-] Cl- 1 -1.327 11 5 0 -21.6372279269469 25102268 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCOCC2)N3CCN(CC3)C(=O)[C@H](CC4=CC=C(C=C4)O)N5C=C(N=N5)CCO 1 0.988 10 7 0 -10.1652826665876 25102267 C[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CC(C)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCC(=O)O 1 -0.592 14 8 0 -26.352546914924 25102265 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)[C@H](CC3=CC=C(C=C3)O)N4C=C(N=N4)CCO)N5CCN(CC5)C(=O)CN6C=C(N=N6)CCCC[NH3+].[Cl-] Cl- 1 -0.442 15 7 0 -19.1280205084982 25102263 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)CN3C=C(N=N3)CCO)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 -1.929 17 6 0 -20.0044457161474 25102262 C[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)[C@H](CC4=CC=C(C=C4)O)N5C=C(N=N5)CCO)N6C=C(N=N6)CCC(=O)O 1 0.828 14 9 0 -13.8018926487808 25102260 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](CCCC[NH3+])N4C=C(N=N4)CCC(=O)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCC(=O)O.[Cl-] Cl- 1 -1.e-003 15 9 0 -24.4990776132529 25102258 C[C@H]([C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](C)N4C=C(N=N4)CCC(=O)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+])O.[Cl-] Cl- 1 -1.513 15 8 0 -20.6450409024925 25102256 CCCCC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)[C@H](C)N5C=C(N=N5)CCC(=O)O)NCCOCCOCCOCC#C.[Cl-] Cl- 1 0.433 15 7 0 -22.8720610245552 25086305 CCOC(=O)C1(CCN(CC1)S(=O)(=O)C[C@@]23CC[C@@H](C2(C)C)CC3=O)CC4CC4 1 2.599 1 5 -9.05119958586026 25086304 C1CCCN(CCC1)C(=O)C2=C(N3C=C(C=CC3=N2)Cl)CNCC[C@@H]4C[C@H]5C[C@@H]4C=C5 1 4.468 4 1 -6.83174476183299 25086303 COC1=CC=CC=C1CCC2=NN=C(O2)CCC(=O)NCC[C@@H]3C[C@H]4C[C@@H]3C=C4 1 3.096 3 3 -20.7898206217877 25085181 C1[C@@H]2C[C@H]([C@H]1C=C2)CCNC(=O)C3=NOC(=C3)COC4=C(C=C(C=C4)F)F 1 3.785 2 3 -7.6120912522198 25079265 C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=C(N3C=C(C=CC3=N2)Cl)CNCC[C@@H]4C[C@H]5C[C@@H]4C=C5 1 3.081 4 2 -12.1175580026728 25079077 CCCC[N+]12[C@H]3C[C@@]45[C@H](C1C[C@H](C3[C@@H]4O)[C@@H]([C@H]2O)CC)N(C6=CC=CC=C56)C.[I-] I- 1 1.906 2 2 0 -1.79287253606749 25079076 CN1CCC23[C@H](C1)CCC(=O)[C@@H]2OC4=C3C=CC=C4OC 1 1.837 1 3 0 0.471763729014231 25078009 CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CN(C=N2)CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8 1 -0.497 18 12 0 -32.4961196688742 25076091 COC(=O)[C@@H]1C[C@]23[C@H](C(=C(N=C2N1C(=O)NC4CCCCC4)C(=O)OC)C(=O)OC)N(C5=CC=CC=C35)CC6=CC=CC=C6 1 4.184 4 7 0 -15.7327679133842 25076090 COC(=O)[C@@H]1C[C@]23[C@H](C(=C(N=C2N1C(=O)NC4CCCCC4)C(=O)OC)C(=O)OC)NC5=CC=CC=C35 1 2.247 4 7 0 -16.9969686048922 25076089 CN1[C@H]2C(=C(N=C3[C@@]2(C[C@H](N3C(=O)NCCBr)C(=O)OC)C4=C1C=CC(=C4)OC)C(=O)OC)C(=O)OC 1 1.536 4 8 0 -11.1801609177742 25076088 CN1[C@H]2C(=C(N=C3[C@@]2(C[C@H](N3C(=O)NC4CCCCC4)C(=O)OC)C5=C1C=CC(=C5)OC)C(=O)OC)C(=O)OC 1 2.584 4 8 0 -14.5521308075495 25076087 CC#CCN1[C@H]2C(=C(N=C3[C@@]2(C[C@H](N3C(=O)NCCBr)C(=O)OC)C4=CC=CC=C41)C(=O)OC)C(=O)OC 1 2.694 4 7 0 -15.329475731107 25076086 CC#CCN1[C@H]2C(=C(N=C3[C@@]2(C[C@H](N3C(=O)NC(C)(C)C)C(=O)OC)C4=CC=CC=C41)C(=O)OC)C(=O)OC 1 2.815 4 7 0 -21.0341417434147 25076085 CC#CCN1[C@H]2C(=C(N=C3[C@@]2(C[C@H](N3C(=O)NC4CCCCC4)C(=O)OC)C5=CC=CC=C51)C(=O)OC)C(=O)OC 1 3.742 4 7 0 -18.7014456208822 25076084 COC(=O)[C@@H]1C[C@]23[C@H](C(=C(N=C2N1C(=O)NC4CCCC4)C(=O)OC)C(=O)OC)N(C5=CC=CC=C35)CC=C 1 2.761 4 7 0 -19.0463892886609 25076083 COC(=O)[C@@H]1C[C@]23[C@H](C(=C(N=C2N1C(=O)NCC=C)C(=O)OC)C(=O)OC)N(C4=CC=CC=C34)CC5=CC=CC=C5 1 2.942 4 7 0 -17.986366421743 25076082 CC(C)(C)NC(=O)N1[C@@H](C[C@@]23C1=NC(=C([C@@H]2N(C4=CC=CC=C34)CC5=CC=CC=C5)C(=O)OC)C(=O)OC)C(=O)OC 1 3.257 4 7 0 -18.0654640359167 25076081 CCCNC(=O)N1[C@@H](C[C@@]23C1=NC(=C([C@@H]2N(C4=CC=CC=C34)CC5=CC=CC=C5)C(=O)OC)C(=O)OC)CO 1 2.845 4 6 0 -15.5429613944993 26249725 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 1.475 3 5 0 -28.0068885535678 26249713 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl 1 1.391 3 5 0 -26.5502288084663 26245360 CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3CCC(CC3)O)C4=CC=CC=C4 1 4.319 3 2 3.37128039303948 26185701 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CC2CCCC2)N 1 2.578 4 3 0 -11.7555216449978 26184587 COC1=CC=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 3.639 3 5 0 -4.23054531078365 25524225 C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C3=CNC(=O)C=C3 1 -1.667 5 4 0 -11.7350199867954 25523324 C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C3=CC=C(S3)Br 1 1.048 4 3 0 -6.68907662931827 25433960 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 2.116 4 4 0 -27.6387158401138 25394270 CC1=CC(=C(O1)C)C(=O)NNC(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 0.261 4 5 0 -13.9480768089957 24564280 C1COC(=CO1)C(=O)NCCN2C(=O)/C(=C/C3=CC=CC=C3F)/SC2=O 1 1.124 2 5 0 -9.21308542813855 24546271 CC(C(=O)NNC(=O)C1CC(=O)N(C1)C2=CC3=C(C=C2)OCCO3)OC4=CC=CC=C4F 1 1.454 3 6 0 -14.0486125475846 24544277 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)OC)N(C)C)F 1 3.952 3 4 0 -7.87935714667124 24543718 CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C)(C)N3CCOCC3)C 1 2.907 3 4 0 -11.5436082151106 24542683 CN(C)C(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CO3 1 3.507 3 4 0 -4.95792636665981 24542681 CN(C)C(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)C3=CC=CO3 1 2.565 3 4 0 -9.46017944469004 24542675 CN(C)C(CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)CC2=CC=CC=C2)Cl)C3=CC=CO3 1 3.442 3 4 0 -14.2040929389937 24540494 CCOC1=C(C=CC=N1)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.063 4 6 0 -18.0856958548693 24539686 C1CCN(CC1)C(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2 1 2.129 2 2 -8.90001093620677 24538528 COCCCNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3 1 2.925 3 4 0 -17.7834788659242 24538484 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCC2=CN=CC=C2 1 4.52 2 2 -13.9771275622973 24538118 CC1=CC(=NC=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)/C=C/C3=CC=CC=C3 1 2.919 3 3 4.31542647885829 24533565 C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)C(F)(F)F 1 4.24 1 4 -2.7914219326618 24503354 C1CN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3F 1 1.818 2 3 0 -7.74070727432842 24503347 C1CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 0.714 2 3 0 -17.0891995668324 24503337 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC3 1 2.098 2 3 -7.79796602243922 24503336 C1CN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 1.818 2 3 0 -5.44689610879088 24503322 C1CN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 1.612 2 3 0 -6.31542727262948 24474091 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC2=C(C=C(C=C2)Br)C=O 1 2.286 1 5 -14.0541840900363 23986045 CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5C6O)OC)O)O)C 1 -5.e-002 1 4 0 -1.32652828431425 23963793 CC(C)C1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)OC(C)C)/O)/C(=O)C(=O)N2CCN4CCNCC4 1 3.84 3 4 0 -12.3661446203173 23962702 CN1C(=NN=N1)SCC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC 1 1.771 6 3 0 -18.3343495477799 23961339 COC(=O)C1=CC(=C(C=C1)N2CCC3=CC=CC=C32)[N+](=O)[O-] 1 3.41 2 4 -9.56349236932546 23960495 CC1=C(C=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2)C 1 3.782 2 1 -9.00911030244104 23941678 CC1=C(C=CC(=C1)OCC=C)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)F)/O 1 3.557 2 5 0 -12.440115839528 23940029 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC(=C(C=C3)OC)Br 1 2.6 3 3 -11.196677045145 23939527 COC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CC=CS2)OC 1 2.277 1 5 -15.9454394484561 23936093 C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=C(C=CC=C3Cl)F)F 1 3.883 4 2 -22.5259290001599 23935893 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 1.746 4 5 0 -15.584166368675 23933643 COC1=CC(=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)F)NC2=S)OC 1 4.676 3 4 0 -10.8249240979094 23933133 CCOC1=CC(=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=C(C=C4)F)/O)C 1 4.365 2 4 -2.84130279314424 23930866 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCC2=NC3=CC=CC=C3N2)C(C)(C)C)CCCO 1 2.958 3 4 0 -8.72291676490372 23930850 C#CCNC(=O)C1=C[C@H](C[C@H](O1)OCCCCO)C2=CC=C(C=C2)C#C 1 3.722 1 4 -1.32457790476324 23930840 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2.271 3 3 -11.5845166883699 24983110 CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.755 3 2 -2.36710369444303 24983109 CC1CCCC(C1C)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 2.477 2 4 -22.0567552697003 24983108 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)C3=CC=C(C=C3)OC(F)F 1 2.274 3 5 0 -21.6039167801497 24983107 CCC1=NOC(=C1C(=O)NCCN2C(=O)/C(=C/C3=CC=C(C=C3)OC)/SC2=O)C 1 2.537 3 5 0 -18.1708308963222 24983106 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CCOC2=CC=C(C=C2)OCC 1 3.587 2 4 -17.1659531175957 24983105 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=CC=C3NCC4=CC=CO4 1 1.403 5 7 0 -14.6720336971382 24983104 C1CN(CCN1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])S(=O)(=O)/C=C/C3=CC=CC=C3 1 0.918 4 5 0 -8.51245803991678 24983103 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCOCC4)F 1 3.639 3 5 0 -17.514832397251 24983102 CC1=CC=CC=C1NC(=O)C(C)OC(=O)CCC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC(C)C)N 1 2.066 5 6 0 -24.8471529011788 24983101 CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C 1 2.068 3 6 0 -23.881893656062 24983100 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)N 1 1.617 5 6 0 -25.1153042796232 24983099 CC1=C(SC(=C1C(=O)OCC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)NC(=O)C)C 1 1.69 5 6 0 -20.1619597612303 24983098 C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4)S(=O)(=O)N 1 0.677 5 6 0 -22.4157846946548 24983097 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 3.216 4 7 0 -2.48384999130144 24983096 C1CCC(CC1)CNC(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 2.224 3 6 0 -21.7860403033869 24983095 CC1=C(SC=C1)C(=O)NC2=CC=CC=C2N3CCCC3 1 3.677 2 1 -6.31330691593264 24983094 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NCC(C2=CC=CO2)N3CCCCC3 1 3.366 3 4 0 -21.3946847287449 24983093 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)OC(=O)C2CCCC2 1 2.415 2 5 0 -16.4222024830039 24983092 CC1=CC=C(O1)C(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3 1 2.001 2 4 -13.2235476874001 24983091 COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCCCSC2=CC=CC=C2 1 3.145 2 3 -23.3647703115198 24983090 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C)NC(=O)CSCC(=O)NC3=CC=CC(=C3)C 1 2.488 5 4 0 -14.1318417198959 24983089 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)C)C 1 2.623 3 4 0 -19.3345018388607 24983088 C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC3 1 3.015 2 3 -19.5987861973045 24983087 CC(C(=O)NC1CC1)OC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C 1 4.768 1 4 -11.5245628805075 24983086 CCC1=NOC(=C1)CN2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC4=CC(=CC=C4)C(F)(F)F 1 5.517 4 2 -9.47722855180402 24983085 CC[C@H](C)CC1=CN(N=N1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)N5C=C(N=N5)CCO)NCCOCCOCCOCC#C 1 6.987 18 8 0 -23.9326764047234 24983084 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)N3C=C(N=N3)CCCC(=O)O)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)N5C=C(N=N5)CCCC(=O)O 1 1.225 18 11 0 -30.4792290636799 24983083 CC[C@H](C)CC1=CN(N=N1)[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C 1 7.006 7 6 0 -27.1637299926958 24983082 C[C@H](CC1=CN(N=N1)CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)CN5C=C(N=N5)C[C@@H](C)O)O 1 4.677 16 9 0 -28.5106640694056 24983081 CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCOCC3)N4C=C(N=N4)CCCCCN 1 4.74 12 6 0 -29.3613925450073 24983080 C1CN(CCN1)C(=O)CCCCCCCCCCNC(=O)CN2C=C(N=N2)CCCCCN 1 2.325 7 2 0 -33.0884322444446 24983079 CSCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCNCC1)N2C=C(N=N2)CCO 1 2.192 6 3 0 -28.4124624870232 24983078 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)N2C=C(N=N2)CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 1 8.017 9 8 0 -30.8687929982236 24983077 CC(C)(C)OC(=O)NCCCCCC1=CN(N=N1)CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C 1 5.29 7 6 0 -32.9606087735189 24983076 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C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 3.161 3 4 0 -25.2505017841203 24983068 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 3.77 3 4 0 -22.4840119748806 24983067 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NNC(=N3)C4=CC=C(C=C4)OC 1 1.705 7 5 0 -9.90022486276229 24983066 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3(CCCCC3)C#N)C 1 2.965 3 5 0 -19.8832921438362 24983065 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4 1 4.946 4 3 0 -5.74495726966488 24983064 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.34 3 4 0 -13.4195713946537 24983063 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=NC=CN=C2)N 1 -0.439 5 5 0 -20.0974308161414 24983062 CC1=C(C(=NO1)C)CSCC(=O)N(CCCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 0.467 5 5 0 -21.4173806935475 24983061 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CSCC2=CC=C(C=C2)C 1 4.058 2 2 -17.4283221662064 24983060 CC1=CC=CC=C1OCCC(=O)OCC(=O)NC2CC2 1 1.804 1 4 0 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3 4 0 -11.5859530900955 24983049 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC3=CC=CC=C3C=C2OC)N 1 1.759 4 5 0 -9.41979976198597 24983048 CCOC(=O)N1CCN(CC1)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 1.447 3 7 0 -12.4377299504042 24983047 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC3=C(C=C2)N4CCCCCC4=NS3(=O)=O 1 1.94 4 5 0 -13.8622890267837 24983046 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.461 2 4 -20.4388723815848 24983045 CC1=CC=CC(=C1O)C(=O)OCC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 2.396 4 6 0 -9.60655250125576 24983044 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC3=C(C=C2Cl)N4CCCCCC4=NS3(=O)=O 1 2.444 4 5 0 -15.5748446276103 24983043 C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br 1 4.47 2 4 -4.88614639402321 24983042 CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F 1 4.315 2 2 5.71758092916988 24983041 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br 1 3.009 4 3 0 -6.54010885082302 24983040 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)N4C=C(N=N4)C)N5C=C(N=N5)CCCCCN 1 7.047 17 8 0 -27.5980356273044 24983039 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)CC)N4C=C(N=N4)CCCCCN)N5C=C(N=N5)CCCCCN 1 9.377 18 7 0 -27.1652241119845 24983038 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C 1 1.434 3 4 0 -9.94907873673708 24983037 CC1=CSC(=O)N1CC(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC 1 0.833 2 6 0 -19.6290561524035 24983036 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC)N 1 0.68 5 5 0 -9.99286210584584 24983035 CCOC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.229 2 5 0 -20.1437895114884 24983034 CSCCC(C(=O)N1CCC1)NC(=O)C2=CC=CC=C2Cl 1 1.66 2 2 0 -18.4747370067948 24983033 CC1=CC=C(C=C1)OCCNC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 3.425 2 3 -16.9315297538017 24983032 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=CS3)N4CCOCC4 1 3.365 3 4 0 -23.4228716720483 24983031 C1COCCN1C(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)F 1 1.921 2 3 0 -9.69823833044553 24983030 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 3.898 2 6 0 -20.7987350455461 24983029 C1CN(CCN1C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)F 1 1.47 6 5 0 -24.3155882892324 24983028 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl 1 4.359 2 4 -18.7499774538446 24983027 CN(CC1=C(C=C(C=C1)OC)OC)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.282 2 5 0 -7.22067959775943 24983026 C1=CC(=C(C=C1Cl)NC(=O)C2=CC(=C(C(=C2F)F)F)F)N3C=NC=N3 1 3.643 4 1 -6.61096661900404 24983025 CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 3.451 5 3 0 -13.4509690712888 24983024 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC2=CC=CC=C2C)N 1 3.069 4 3 0 -14.9446316011565 24983023 CN(CC1=CC=C(C=C1)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 3.527 2 3 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3 0 -14.2585588428174 24983012 CN(CCOC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 3.574 2 4 -17.6451983504022 24983011 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCC3=CCCCC3 1 3.886 2 3 -24.3404973186481 24983010 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 4.692 2 3 -2.12375734452529 24983009 C1CN(CCN1C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC(=C4)F 1 1.043 3 6 0 -25.1718125499357 24983008 CC1=C(C=CC(=C1)Br)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 3.286 5 3 0 -14.810370853447 24983007 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F 1 2.665 3 3 -3.42039678725369 24983006 COC1=CC=CC=C1C(=O)COC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2 1 2.631 1 6 0 -21.1088953059447 24983005 C1CCC(CC1)NC(=O)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N 1 1.481 5 4 0 -21.5463173226279 24983004 CC(C)(CNC(=O)CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)N3CCOCC3 1 2.911 3 4 0 -11.7042585525761 24983003 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)OCC 1 3.518 4 6 0 -14.8434209490849 24983002 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.211 4 4 0 -26.3625045469761 24983001 C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4C=CC3O4 1 0.844 1 3 0 7.94743267572547 24983000 CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]4C(C)(C)O)C)C 1 4.188 0 3 -13.9175414966331 24982999 C1CC(CN(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(F)(F)F 1 3.731 2 2 -12.5656866692415 24982998 C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCOC3=CC=CC=C3F 1 2.524 2 4 -16.7210113330345 24982997 COC1=CC=CC=C1OCCNC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.042 2 4 -15.1798749612378 24982996 CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.341 3 5 0 -21.8068677924278 24982995 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)CCNC(=O)C2=CC=CC=C2OC 1 1.92 3 4 0 -21.3987858354756 24982994 CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.312 3 5 0 -14.3185962740825 24982993 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)CCCSC2=NC3=CC=CC=C3N2 1 3.648 4 2 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CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)N(C)CC(=O)NC4=CC=CC=C4Br 1 4.302 3 3 -9.11314485557046 24982912 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)/C=C/C2=CC(=C(C=C2)OC)OC 1 1.769 2 7 0 -21.1405756696251 24982911 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCC3=CC=CC=C3Cl 1 3.6 4 3 0 -11.4175150898927 24982910 CCC1(C(=O)N(C(=O)N1)CC(=O)N(C)CC(=O)NC2=C(C(=C(C=C2)F)F)F)C3=CC=CC=C3 1 2.118 4 4 0 -14.2072993989868 24982909 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)N(C)CC(=O)NC3=CC=CC=C3Cl 1 1.992 4 6 0 -19.8978303035007 24982908 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.754 3 5 0 -18.0746884972857 24982907 CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 3.84 2 4 -5.3188990944992 24982906 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCS(=O)(=O)C2=CC=C(C=C2)C)N 1 2.302 4 5 0 -17.6847628359556 24982905 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)N3CCCCCCC3 1 4.054 2 3 -10.7868291749707 24982904 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NNC(=O)C3=CC=CC=C3 1 2.32 3 4 0 -15.6256699033283 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-7.89336077691864 24982669 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)/C=C/C2=NC3=CC=CC=C3C=C2)OCC 1 3.627 3 4 0 -10.7337718030603 24982668 C1COCCN1C(CNC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=CS5 1 5.161 4 2 -0.80024962317057 24982667 CC1=CN=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.07 5 4 0 -20.5605539331512 24982666 CCOC1=CC=C(C=C1)C(=O)NCC(=O)NCC(C2=CC=CC=C2OC)N3CCCC3 1 2.625 3 4 0 -21.1616634867368 24982665 COC1=CC=CC=C1C(=O)NCCC(=O)N2CCC(=CC2)C3=CC=CC=C3 1 2.621 2 3 -15.8742917950395 24982664 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CN2C(=O)C(NC2=O)CC3=CC=CC=C3 1 1.325 4 5 0 -16.4696127460592 24982663 CC1=CC=C(S1)C(=O)NNC(=O)C2=C(OC(=C2)C)C 1 1.365 2 3 0 -8.70407457371472 24982662 COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=CS2)C#N 1 1.717 3 3 0 -12.8276440926378 24982661 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.629 4 2 -14.1833373836661 24982660 CCC1=NOC(=C1C(=O)NNC(=O)C2=CC=C(C=C2)Br)C 1 2.169 3 3 -12.7030481430303 24982659 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NCCSC2=CC=C(C=C2)Br 1 2.987 2 5 0 -15.4823038099979 24982658 C1COCCN1CCNC(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.426 3 4 0 -9.26547384234776 24982657 CC1=C(C=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCCC3 1 3.028 3 5 0 -19.0095017300185 24982656 CCC1=CC(=CC=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 3.609 3 3 1.16770214324235 24982655 C1CC(OC1)CNC(=O)C2=CC3=CC=CC=C3C=C2O 1 2.063 1 3 -6.44995889166445 24982654 CCOC1=CC=C(C=C1)CN(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 2.51 4 5 0 -17.7575492294218 24982653 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)NCC3=CC=CC=C3F)(C)C 1 2.532 3 3 -17.5982323328646 24982652 CCN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 -0.121 3 7 0 -20.3995811132811 24982651 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC4=CC=CC=C4C=C3OC 1 3.044 4 6 0 -12.5219573362406 24982650 C1CN2C(=C3C=CC(=CC3=[N+]2[O-])[N+](=O)[O-])C(=N1)C4=CC=C(C=C4)Cl 1 3.306 4 3 0 2.04398097207686 24982649 C1CN2C(=C3C=CC=CC3=[N+]2[O-])C(=N1)C4=CC=C(C=C4)Cl 1 3.411 3 1 3.81002301917512 24982648 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 -0.167 2 9 0 -32.1987301717031 24982647 C1CC2=C(C1)C=C(C=C2)OCC(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F 1 3.604 2 4 -13.9666831876339 24982646 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.358 4 6 0 -13.5237913064771 24982645 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3CC(=O)N(C3)CC4=CC=CO4 1 -0.58 5 7 0 -17.7133532888579 24982644 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4 1 4.291 2 4 -23.4244354884458 24982643 CC1=C(SC=C1)C(=O)NNC(=O)COC2=CC=CC=C2Cl 1 2.81 2 3 -11.0106229466155 24982642 CC(C1=C(C=C(C=C1)Cl)Cl)NCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 3.179 3 4 0 -15.5115607157323 24982641 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC(=O)NC2=CC=CC(=C2)CC 1 2.768 5 6 0 -19.4610662134507 24982640 CCC1=NOC(=C1C(=O)N(C)CC(=O)NC2=C(C(=C(C=C2)F)F)F)C 1 2.046 3 3 -16.3828602027258 24982639 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CSC2=CC=CC=C2F 1 3.499 2 2 -18.8716220663568 24982638 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2N3CCCCC3)C4=CC=CC=C4 1 2.792 4 3 0 -8.40217362405017 24982637 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=CC=CC=C2N3CCCC3 1 2.314 4 3 0 -18.2921575340041 24982636 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.497 3 5 0 -11.7760285937083 24982635 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.11 3 8 0 -26.9473577805669 24982634 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=NC5=CC=CC=C54)Cl 1 2.947 5 4 0 -20.1816118923396 24982633 CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N(C)CCOC3=CC=CC=C3 1 3.489 2 4 -12.5545412488335 24982632 CC1=CC(=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCN(CC4)C)C 1 3.576 4 4 0 -13.9078876538501 24982631 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCCC2=CC=CC=C2)C 1 2.633 2 5 0 -18.0068338585458 24982630 CN(CCOC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 1.886 2 5 0 -19.4442145594779 24982629 CC1=NC(=C(S1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)F 1 3.687 3 3 -14.6680206642098 24982628 C1=CSC(=C1)C(=O)NNC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 2.09 3 6 0 -13.4029840162804 24982627 CC1=CC=C(C=C1)OCC(=O)N(C)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.818 2 3 -10.4658995235949 24982626 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)C3=CC=CC=C3O)C 1 2.191 3 5 0 -13.181361552726 24982625 COC1=CC=CC(=C1OC)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC 1 2.68 1 8 0 -19.5263985309079 24982624 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=COCCO3 1 6.5e-002 4 7 0 -14.4659400382571 24982623 CC12CCC(=O)N1C(CS2)C(=O)N(C)CC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F 1 1.791 3 3 0 -11.2633207232126 24982622 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5 1 0.963 3 7 0 -22.2069508887822 24982621 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC(=O)C3=CC=CC=C3Cl 1 2.79 2 4 -16.5866269717246 24982620 CCC1=NC2=C(C=C(C=C2)C(=O)N(C)CC(=O)NC3=CC(=C(C=C3)OCC)OCC)N=C1CC 1 3.908 4 4 0 -17.3083402612697 24982619 C1CC1N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C(=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)F 1 2.484 4 5 0 -18.6971108250178 24982618 CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 3.229 2 6 0 -11.1557069031348 24982617 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)/C=C/C2=C(N(N=C2C)C3=CC=C(C=C3)F)C 1 3.968 4 2 -8.13344031999758 24982616 CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C 1 1.411 3 6 0 -34.5161084495424 24982615 C1=CC=C(C=C1)NC2=CC=C(C=C2)OCC(=O)NC3=CC=NC=C3 1 2.849 3 2 -4.09207424132547 24982614 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CSC4(N3C(=O)CC4)C 1 2.03 3 2 -3.33864802975297 24982613 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)F 1 2.277 6 2 0 -8.90019311004713 24982612 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2C(=O)N3CCCCC3)C4=CC=CC=C4 1 2.043 4 4 0 -14.9278986707112 24982611 C1=CC(=CN=C1)NC(=O)C2=CC(=C(S2)Br)Br 1 2.733 2 1 -4.75753866243178 24982610 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2CC(=O)N(C2)CC3=CC=C(C=C3)C 1 1.114 4 4 0 -19.9606630021384 24982609 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3 1 2.996 3 5 0 -26.653830919122 24982608 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4 1 3.081 3 3 -5.33658249008235 24982607 C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 4.788 2 2 -16.9418753016068 24982606 CCCN1C2=CC=CC=C2N=C1NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C 1 3.862 3 3 -13.1582338400095 24982605 CCOC1=CC=C(C=C1)C(=O)NCC(=O)NCC(C2=CC=CS2)N3CCOCC3 1 1.715 3 4 0 -19.186609907965 24982604 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC(C2=CC=CS2)N(C)C 1 1.979 3 4 0 -15.0213404899637 24982603 CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2)C3=CC=CC=C3OC 1 3.267 3 4 0 -13.4139315817121 24982602 C1CCN(C1)C2=CC=CC=C2NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-] 1 2.016 4 5 0 -9.67672403667361 24982601 CC1=CC=CC=C1C(=O)NNC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 2.152 4 3 0 -12.2479559123492 24982600 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CN(CC(=O)NC1=CC=CC2=CC=CC=C21)C(=O)CSCC(=O)NC3=CC=C(C=C3)OC 1 2.225 3 4 0 -14.9341460561434 24982482 CC(C(=O)NCC1=CC=CO1)OC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.613 3 7 0 -19.6636029474579 24982481 CSCCC(C(=O)N1CCCCCCC1)NC(=O)C2=CC=CC=C2Br 1 3.693 2 2 -18.6149726076113 24982480 CCN(CC1=CC=CC=C1)C(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.999 2 5 0 -24.3589587049017 24982479 CC1=CC(=C(C(=C1)C)OCC(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F)C 1 4.005 2 4 -13.0094873816262 24982478 CCC1=CC=C(C=C1)C(=O)OCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.771 4 6 0 -12.0233161625361 24982477 CCC1=CC=C(C=C1)C(=O)NNC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 2.028 4 3 0 -14.8814136803027 24982476 C1CN(CCN1C2=CC=CC=C2O)C(=O)CNC(=O)C3=CC=C(O3)Br 1 1.654 3 4 0 -7.40952432980776 24982475 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=C(O2)Br)N 1 2.153 4 4 0 -11.2143181012074 24982474 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4)C 1 4.809 3 3 -8.33416357959009 24982473 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])OCC 1 2.738 4 6 0 -18.6809027031847 24982472 CC1=CN=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F 1 2.581 3 2 -3.69299131149525 24982471 CC1=CN=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.235 4 3 0 -19.0588593339772 24982470 CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCC(CC4)C(=O)OCC 1 2.868 2 6 0 -11.5530344300851 24982469 CCCCCCCCCCCCCCCC[N+](C)(C)C.O.[OH-] OH- H2O 1 5.768 1 0 -3.95265915165961 24982468 CC1=NC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 2.658 4 2 -11.3859799025781 24982467 CC1=CC(=CC=C1)NC(=O)CSCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.061 5 5 0 -12.2680436281824 24982466 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCCC(C2)C(F)(F)F)C 1 0.495 3 3 0 -11.5512333701197 24982465 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N(C)CC(=O)NC4=CC=CC=C4Cl 1 1.951 3 3 0 -9.65037631840457 24982464 C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 1.595 3 4 0 -23.0620315275452 24982463 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=NC(=C(S4)C)C5=CC=CC=C5)C 1 4.791 5 1 0.212785755092797 24982462 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CC3=CC=CC=C3 1 0.864 4 6 0 -13.0911371442532 24982461 CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCCOC2=CC=CC=C2)[N+](=O)[O-] 1 2.516 2 7 0 -14.3015529239473 24982460 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC4=CC=CC=C4C=C3 1 3.06 4 5 0 -10.5542702554336 24982459 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OCC 1 2.892 2 7 0 -32.4901036062027 24982458 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(ON=C3C)C)C 1 2.712 2 5 0 -21.6376514511577 24982457 C1=COC(=C1)C(=O)NCC(=O)NC2=CC=NC=C2 1 -8.1e-002 3 3 0 -10.9163109493709 24982456 COC1=CC=CC=C1C(=O)NCCC(=O)NNC(=O)C2=CC=CC=C2O 1 0.921 3 5 0 -14.0103159103092 24982455 CC1=CC(=C(C=C1)Cl)OC(=O)C2CSC3(N2C(=O)CC3)C 1 2.717 1 3 -3.76172390446003 24982454 CC1=CN=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4OC 1 4.75 3 4 0 -19.7444996658951 24982453 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(C=C2)N3CCCC3=O)N 1 -8.e-003 5 5 0 -19.316245926948 24982452 CC(CC(=O)OCC(=O)N(CCOC)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C3=CC=CC=C3 1 1.572 4 6 0 -12.2707294282888 24982451 CN(CC1=CC=CC=C1F)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 2.493 3 2 -10.4770843445232 24982450 C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.219 3 3 -13.2469182695897 24982449 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.278 3 6 0 -13.0167452483729 24982448 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 0.838 3 7 0 -29.3677528375768 24982447 CC1CCCCC1NC(=O)CSC2=NC(=CC(=N2)C)C 1 2.916 3 1 -17.7346129933778 24982446 CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)OCCO3 1 3.192 1 5 -17.6713712307855 24982445 C1CCN(CC1)C(CNC(=O)CCNS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C3=CC=CO3 1 2.948 3 4 0 -23.1452040096062 24982444 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC=CO3 1 1.381 3 7 0 -25.5046568396286 24982443 CC1=CC(=C(S1)C)C(=O)CCC(=O)N(C)CC2=C(C(=CC=C2)OC)OC 1 2.703 1 4 -8.4200324487239 24982442 CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)/C=C/C2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 2.564 2 6 0 -22.492892772242 24982441 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)F 1 2.323 3 5 0 -8.25932236678228 24982440 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NNC(=O)C2=CC=CC=C2 1 -0.29 4 7 0 -23.1400727713489 24982439 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3CCCC3 1 2.527 3 3 -20.4333667588577 24982438 CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl 1 5.089 3 2 4.60573761339029 24982437 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CCOC2=CC=CC=C2C 1 3.47 2 3 -16.9999939118195 24982436 CN(CCOC1=CC=C(C=C1)Cl)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 3.284 3 5 0 -3.88760895914053 24982435 CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C 1 2.184 5 6 0 -18.0902587369173 24982434 CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 2.766 3 4 0 -17.6950245998886 24982433 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CSC2=NC(=CC(=N2)C)C 1 2.437 4 3 0 -22.7875087984897 24982432 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)/C=C/C2=CC=C(O2)Br 1 3.071 2 3 -10.5644081951869 24982431 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=CC=CC=C2N3CCCCC3 1 2.77 4 3 0 -18.6466260481722 24982430 COC1=CC=C(C=C1)CC(=O)OCC(=O)NCCNC(=O)COC(=O)CC2=CC=C(C=C2)OC 1 1.345 2 8 0 -12.8383794837806 24982429 C1=CC=NC(=C1)/C=C/C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-] 1 3.315 6 3 0 -9.4042230711387 24982428 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C)N 1 1.653 6 5 0 -24.9686147393942 24982427 CCC1=NOC(=C1C(=O)NNC(=O)C2=CC=C(C=C2)F)C 1 1.626 3 3 0 -12.3565100630504 24982426 CCCCCCCNC(=O)C1=CC(=C(C=C1)CNCC=C)[N+](=O)[O-] 1 3.784 3 3 -14.0472685284961 24982425 CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCCOC2=CC=CC=C2F)[N+](=O)[O-] 1 1.695 4 6 0 -16.6479146426745 24982424 CCC1=C(SC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C)C 1 4.439 3 1 1.24552584169714 24982423 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.554 3 5 0 -15.2866867819962 24982422 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)COC2=CC=CC=C2C#N 1 1.048 3 6 0 -23.152536251771 24982421 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3N4CCCC4 1 2.139 3 3 -9.20664085669752 24982420 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C(C)OC4=CC=C(C=C4)F 1 3.642 4 4 0 -18.2134414684525 24982419 CC(C)COC1=CC=C(C=C1)C(=O)N(CC2=CC=CO2)CC(=O)NC3=CC=CC=C3C(F)(F)F 1 4.763 2 4 -16.2034920647046 24982418 CC1=CN=C(C=C1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C 1 3.554 2 3 4.3318675245842 24982417 CCCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3 1 3.248 4 3 0 -13.3711689456794 24982416 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OCC)C 1 2.725 3 8 0 -23.8095628606682 24982415 CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N(C)CC(=O)NC4=CC(=CC=C4)F 1 4.014 3 2 -5.39292884330989 24982414 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2CSC3(N2C(=O)CC3)C 1 1.81 2 6 0 -14.8740851968607 24982413 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 2.45 2 6 0 -17.4973735283537 24982412 CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NCCNC(=O)COC(=O)CSC2=CC(=C(C=C2)C)C)C 1 4.04 2 6 0 -13.2619324949301 24982411 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 4.197 3 4 0 -26.1456755036592 24982410 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3N4CCCCC4 1 2.768 4 3 0 -19.2827459844044 24982409 CC1(C(=O)N(C(=O)N1)CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-] 1 1.994 3 7 0 -9.1021485818796 24982408 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 3.124 4 5 0 -12.5814124880421 24982407 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)CCOC2=CC=C(C=C2)C 1 3.949 2 3 -15.1053996181767 24982406 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 2.124 4 5 0 -30.2129361396505 24982405 CC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)S(=O)(=O)N3CCOCC3 1 1.665 3 6 0 -22.7656922495426 24982404 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C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=C(C=CC=N3)O 1 2.356 2 3 2.59490863014348 24982227 CCCN1C2=CC=CC=C2N=C1NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 2.289 5 3 0 -8.10257728182392 24982226 CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.654 4 4 0 -15.7700529947931 24982225 CC1=NOC(=C1)CN2C(=CC(=N2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=C4 1 4.85 4 2 -7.16150816464078 24982223 CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCC[NH3+])[O-])[N+](=O)[O-].C(=O)(C(F)(F)F)[O-] OC(=O)C(F)(F)F 1 1.277 4 4 0 -2.83181810707585 24982222 C1CN2C(=C3C=CC=CC3=N2)C(=N1)C4=CC=C(C=C4)Cl 1 4.255 3 0 3.77227819396822 24982220 CCCSC1=C(C=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)CC)[C@]4(N2CCC4)C(=O)OC)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 2.818 2 5 0 -4.30659764015432 24982218 CCCCCCSC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C)[C@]4(N2CCCC4)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.311 2 4 -0.105339852508698 24982216 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C1=CC2=C(N([N+](=C2C=C1C(F)(F)F)[O-])CCC[NH3+])C(=O)C3=CC(=C(C(=C3)Cl)N)Cl.[Cl-] Cl- 1 2.421 4 2 2.00580037534998 24982175 C1=CC(=CC=C1C(=O)C2=C3C=CC(=CC3=[N+](N2CCC[NH3+])[O-])C(F)(F)F)Cl.[Cl-] Cl- 1 2.503 3 2 3.88777941637182 24982174 CCCNC(=O)C1=CC=C(C=C1)CN2C=C(N=C2C(C)N)C3=CC=C(C=C3)OC 1 3.301 4 2 -10.9971122861794 24982173 C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=COC=C5)(C(=O)C[C@@H]6C37COC(=O)C[C@@H]7OC6(C)C)C 1 1.447 0 8 0 -2.76272557598875 24982172 CC(=O)OC1=C(C2=NC=CC3=C2N(C1=O)C4=CC=CC=C34)OC 1 2.053 2 4 -2.6837142169928 24982171 CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC(=CC=C4)Br)NC(=O)C5=CC(=CC=C5)C 1 5.349 4 3 0 -8.09769488135616 24982170 CC1=CC=C(C=C1)CNC(=O)C2=NN(C(=C2)C3=CC=CC=C3)CC4CC(=NO4)C5=CC=C(C=C5)OC 1 5.437 4 3 0 -8.73687020287849 24982169 COCCNC(=O)C1=C(ON=C1CS(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 1.768 3 6 0 -19.4427976253508 24982168 CCOC(=O)C1=C2C=CC=CC2=[N+](N1[C@@H](C)C(=O)N)[O-] 1 0.806 3 4 0 -3.29126439349598 24982167 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24982089 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CCOC2=CC=C(C=C2)OCC 1 3.316 2 4 -18.3010744195585 24982088 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C 1 2.017 3 5 0 -20.8480320511878 24982087 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)/C=C/C2=CC=C(C=C2)OCC=C 1 2.994 2 5 0 -17.4000527209804 24982086 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CCOC2=CC=C(C=C2)C 1 3.47 2 3 -17.3384121952454 24982085 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.278 4 3 0 -3.22612113026556 24982084 CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NCCC4=CC=C(C=C4)OC 1 2.951 3 3 -18.5719124203511 24982083 COCCN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.443 3 4 0 -22.0866422486857 24982082 COCCN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.648 3 4 0 -20.82043056603 24982081 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 2.065 4 5 0 -5.83060423467981 24982080 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC=C2OC)OC)OCC 1 3.281 1 7 0 -18.1755349394642 24982079 CC1=CC(=C(C(=C1)C)OCC(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)C 1 1.752 1 6 0 -20.3738330802994 24982078 C1=CC=C(C(=C1)SCCC(=O)NNC(=O)C2=CC=NC=C2)Cl 1 2.027 3 2 -11.7384554248089 24982077 C1=CC(=CC=C1C2=NN=C(O2)SCC(=O)NNC(=O)C3=CC=NC=C3)Cl 1 1.619 5 3 0 -12.112923532073 24982076 CC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=NC=C2)S(=O)(=O)N3CCOCC3 1 1.1e-002 4 5 0 -20.9498017992232 24982075 CN(CCOC1=CC=C(C=C1)Cl)C(=O)CSCC(=O)NC2=CC=C(C=C2)OC 1 2.977 2 4 -10.4366606779156 24982074 CC1=NC(=C(S1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC)C4=CC=C(C=C4)F 1 3.827 3 4 0 -16.9338275198398 24982073 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=C(N=C(S3)C)C4=CC=C(C=C4)F)C 1 3.995 3 3 -12.4178608529528 24982072 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCC(=O)NC3=C(C=CC=C3Cl)C(F)(F)F 1 3.143 3 4 0 -12.001345588912 24982071 COC1=CC=CC=C1C(CNC(=O)CCNC(=O)C2=CC=CC=C2Cl)N3CCCC3 1 3.205 3 3 -23.8075546061901 24982070 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)CNC(=O)C2=CC=C(O2)Br 1 1.567 3 4 0 -14.5481250046064 24982069 C1CC(CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(F)(F)F 1 2.426 2 3 -15.6818139536593 24982068 CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCN3CCCC3=O)C 1 2.214 3 4 0 -22.4333836202694 24982067 C1CC(=O)N(C1)CCCNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 1.99 3 4 0 -22.4993133999331 24982066 COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl)N4CCOCC4 1 3.612 3 5 0 -18.758845605294 24982065 CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCCCN3CCCC3=O)C4=CC=CC=C4 1 3.413 4 2 -11.450338940978 24982064 CC(C(=O)NCC(C1=CC=CC=C1OC)N2CCCC2)OC3=CC=C(C=C3)Br 1 4.301 2 3 -14.6340972641579 24982063 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)N(C)CC3=CC=C(C=C3)SC 1 4.35 2 3 -6.44766121659722 24982062 CC1=CC=CC=C1C(=O)NNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC 1 2.212 3 4 0 -22.345417330341 24982061 CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 1.697 3 4 0 -7.66428556869758 24982060 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CNC(=O)C2=CC=CS2 1 0.524 3 6 0 -22.3202861198319 24982059 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CC3=C(C=C(C=C3)Cl)Cl 1 2.192 4 6 0 -8.22422005138221 24982058 C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)C3=C(C=CC(=C3)Cl)O 1 2.568 3 5 0 -1.62492227796813 24982057 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC3 1 1.596 2 4 0 -7.73769298565033 24982056 CC1=CC(=C(C=C1)Cl)OCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCCCC3 1 4.675 2 3 -14.7576158953796 24982055 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCC3CCCC3 1 1.536 4 6 0 -14.082315357733 24982054 COC1=CC=CC=C1C(=O)NCCC(=O)NCC2=CC=CS2 1 1.653 2 3 0 -21.2123396621955 24982053 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=C(C=CC(=C3)SC)Cl 1 2.936 3 3 -5.93267372004262 24982052 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 2.861 3 4 0 -12.8455091415234 24982051 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.244 3 3 -9.72366570673152 24982050 CC1=C(NC(=C1C(=O)C)C)C(=O)CN2C(=O)C(NC2=O)(C)C3=CC4=C(C=C3)OCCO4 1 1.874 3 6 0 -11.8968813384407 24982049 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3CC(=O)N(C3)C4=C(C=C(C=C4)OC)OC 1 1.683 5 6 0 -12.4783403759927 24982048 CC(C)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 3.916 2 3 -13.46060266063 24982047 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=CC=CC=C3Br 1 3.103 3 3 -10.8427415395748 24982046 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NNC(=O)C3=CC=C(C=C3)Br 1 2.36 4 4 0 -11.0748567709285 24982045 CN(C1CCCCC1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.184 2 7 0 -23.7489630897028 24982044 CCN(C1CCCCC1)C(=O)COC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.829 2 5 0 -13.1488675916087 24982043 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.301 3 8 0 -27.0143600104989 24982042 CCCN1C(=O)C2=C(N=C1SC(C)C(=O)NCC3CCCO3)SC4=C2CCC4 1 3.725 3 3 -31.8839378729849 24982041 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)/C=C/C2=CC=CC=C2 1 1.802 2 5 0 -17.1029044318132 24982040 CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=O)C2CSC3(N2C(=O)CC3)C 1 1.162 3 4 0 -6.6497995223276 24982039 C1CN(CCN1C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CO3 1 1.515 3 7 0 -13.1123686058086 24982038 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CCCOC2=CC=C(C=C2)OC 1 1.899 2 7 0 -18.3302085311456 24982037 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.333 3 4 0 -21.3927821422806 24982036 CC1CC(CN(C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C 1 1.881 2 7 0 -25.535551056326 24982035 C1CN(CCC1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.881 3 7 0 -26.0540096954313 24982034 COC1=C(C=C(C=C1)CC(=O)OC2=C(C=C(C=C2)Br)F)S(=O)(=O)N3CCOCC3 1 3.039 1 6 0 -16.7237151601866 24982033 C1CCC(CC1)(CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3)N4CCCCC4 1 4.296 3 3 -11.6130384345295 24982032 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.992 3 7 0 -29.7062612290853 24982031 CCOC(=O)CC1=CSC(=N1)SC(C)C(=O)NC2CCCCC2C 1 3.758 2 3 -19.4123941395949 24982030 CC1=C(C(=CC=C1)OCC(=O)OCC2=CSC(=N2)CC(=O)NC3=CC=CC=C3C)C 1 4.459 2 4 -12.5340390117298 24982029 CC1CCCCC1NC(=O)C(C)OC(=O)/C=C/C2=CC(=C(C(=C2)Cl)OC)OC 1 4.506 1 5 -13.2942534100937 24982028 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=NC(=CS3)C4=CC=CC=N4)C 1 2.42 5 3 0 -1.04765514148797 24982027 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2CCN(CC2)C)OC3=CC=C(C=C3)Br 1 2.91 3 4 0 -6.99076239260704 24982026 CC1=CC=CC(=C1)C(=O)NCC(=O)NC2=CC=NC=C2 1 1.01 3 2 0 -10.9216976500423 24982025 CC1=CSC(=O)N1CC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.418 3 6 0 -12.4649312620555 24982024 CC1=CSC(=O)N1CCC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.666 3 6 0 -15.7078863511466 24982023 COC1=CC=C(C=C1)C(CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl)N3CCOCC3 1 2.996 3 4 0 -27.5158478795093 24982022 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCOCC4 1 3.28 3 6 0 -17.9632322574507 24982021 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCOCC4)F 1 3.639 3 5 0 -16.060377290972 24982020 CCOC1=CC=CC=C1C(=O)NCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3 1 1.852 3 5 0 -23.3548394524633 24982019 CC1=CC(=NC=C1)NC(=O)CNC(=O)C2=CC=CO2 1 0.944 3 3 0 -9.65309386786411 24982018 CC1=CC(=NC=C1)NC(=O)CNC(=O)C2=CC=C(O2)Br 1 1.512 3 3 0 -10.9663038523128 24982017 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSCC3=CC=CC=C3C 1 3.012 4 3 0 -14.6548956124482 24982016 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)COC3=C(C=CC=C3C)C 1 2.64 4 6 0 -15.2873186649358 24982015 C1CN(CCN1C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4F 1 0.861 3 6 0 -26.343731422943 24982014 CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C4C(=C(O3)C)C(=NNC4=O)C)SC(=C2C)C 1 2.017 5 4 0 -26.2455240778821 24982013 CC1=CC(=NN1CCCNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br)C 1 2.446 4 2 -28.1119436748323 24982012 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(C3=CC=CS3)N4CCOCC4 1 2.551 3 5 0 -17.1569776223674 24982011 CCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 2.652 6 5 0 -12.1795905892309 24982010 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3(CCCCC3)N4CCCCC4 1 4.628 3 4 0 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CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C)O 1 4.745 3 4 0 -6.53868605509452 24981892 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC=C(C=C2)N3CCCC3=O)N 1 0.928 5 4 0 -19.850249301691 24981891 C1CC(=O)N(C1)C(=O)CSC2=NN=C(N2N)C3=CC=CS3 1 0.969 5 2 0 -18.8513043519957 24981890 CC1=CC=C(O1)C(=O)OC2=CC=C(C=C2)C3=NN=CO3 1 2.101 2 4 -1.6082079503686 24981889 CN(CC1=CC=C(C=C1)F)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.52 2 3 -6.24782328309162 24981888 COC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2Cl)N4CCCCCC4=NS3(=O)=O 1 3.666 3 4 0 -10.3885347118915 24981887 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NC3=C(C=CS3)C#N 1 1.558 3 2 0 -13.2461478122141 24981886 CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)C 1 2.55 3 4 0 -18.3594494195669 24981885 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 2.559 3 5 0 -23.231185570093 24981884 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CCCSC2=NC3=CC=CC=C3N2 1 2.369 5 3 0 -21.7240814063635 24981883 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 3.944 5 3 0 -4.49968302973875 24981882 CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CSCC(=O)NC3=NOC(=C3)C 1 3.099 3 5 0 -18.3628435229591 24981881 CC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)C)C(=O)OC(C)C(=O)NC2CC2 1 2.047 2 5 0 -22.5304706116597 24981880 C1CN(CCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C(=O)C4=CC=C(C=C4)F 1 2.125 3 4 0 -19.0302722953406 24981879 CC1(C(=O)N(C(=O)N1)CC(=O)N(C)CC(=O)NC2=CC(=CC=C2)OC)C3=CC4=CC=CC=C4C=C3 1 1.87 4 5 0 -10.8531019183628 24981878 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 2.291 4 3 0 -11.2968772588498 24981877 CCN1C(=NN=C1SCC(=O)N(C)CC(=O)NC2=CC(=CC=C2)OC)C3=CC=CO3 1 2.038 5 4 0 -16.6951734662875 24981876 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)OC(C)C)C 1 2.943 4 6 0 -22.6265128834369 24981875 C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-] 1 3.419 3 3 -10.4331683676141 24981874 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCN3CCCC3=O 1 1.447 3 4 0 -30.6699841211698 24981873 COC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)OC 1 2.857 2 4 -22.106516133622 24981872 CC(C(=O)NCC1=CC=CO1)OC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.424 3 7 0 -23.9465506079355 24981871 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3 1 0.337 3 6 0 -20.6635267660401 24981870 C1CN(CCN1C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)C3=CC=CO3 1 0.517 4 8 0 -19.9212878479672 24981869 CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.367 3 7 0 -25.5518096070835 24981868 CCN(CC(=O)NCC1=CC=CS1)C(=O)/C=C/C2=CC(=C(C=C2)OCC)OC 1 2.759 2 4 -20.9078322006146 24981867 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 2.813 3 3 -17.9766068157667 24981866 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)NCCOC3=CC=CC=C3 1 1.587 2 5 0 -20.66324423597 24981865 COC(=O)C1CCN(CC1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 2.196 2 7 0 -16.2094094277406 24981864 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=C(C=CS3)C 1 1.748 4 5 0 -15.8818962740247 24981863 CC1=CC=C(S1)C(=O)OCC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.059 4 5 0 -11.3194990491695 24981862 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NNC(=O)C2=CC=CC=C2O)C 1 1.612 3 5 0 -11.5203409516847 24981861 CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2)C3=CC=CO3 1 2.572 3 4 0 -12.4138215365113 24981860 CC1=NN=C(N1N)SCC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 0.512 8 3 0 -20.5015380921147 24981859 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3 1 3.168 5 5 0 -13.9269683426717 24981858 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCOC3=CC=C(C=C3)C 1 2.402 4 6 0 -12.9703033421682 24981857 CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC 1 2.715 2 6 0 -23.6055598504803 24981856 C1C(OC2=CC=CC=C2O1)C(=O)NNC(=O)CCNS(=O)(=O)C3=CC=CC=C3 1 0.655 3 6 0 -14.3710622020634 24981855 CCC1=C(C(=CC=C1)CC)NC(=O)C2CSC3(N2C(=O)CC3)C 1 2.804 2 2 -7.9309950204344 24981854 C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 0.468 4 6 0 -19.0199167553163 24981853 CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)N(C)CC(=O)NC3=CC=C(C=C3)F)C 1 1.836 4 3 0 -18.9455761862225 24981852 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)NC(=O)N4 1 -1.1e-002 4 7 0 -34.9127967551807 24981851 C1=CN=C(N=C1)SCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 0.613 5 2 0 -17.6556200267541 24981850 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 3.125 3 5 0 -21.8523487441167 24981849 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC(=O)N(CC)C2=CC=CC=C2 1 2.38 5 6 0 -20.5020754322778 24981848 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC3=C(C=C(C=C3)C)Cl 1 3.585 3 3 -9.79809398129909 24981847 C1CC(OC1)CNC(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43 1 2.072 5 2 0 -21.9534195548824 24981846 CC1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 3.705 2 3 -21.0829042923356 24981845 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C 1 1.92 3 4 0 -8.53039920991174 24981844 CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3 1 1.863 3 3 0 -10.8506559654073 24981843 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)NC3=NC(=CS3)C4=CC=CS4 1 2.726 4 2 -8.90315740447673 24981842 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=C(S3)N 1 0.941 6 4 0 -31.3004477213578 24981841 COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.116 2 7 0 -32.2066984472149 24981840 COC1=C(C=C(C(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC 1 2.054 3 7 0 -22.5928666106088 24981839 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NC4=CC=C(C=C4)OC(F)F 1 -0.497 5 6 0 -15.1012500207773 24981838 CCOC1=C(C=C(C=C1)CCNC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2)OCC 1 -0.309 5 7 0 -26.2571915894334 24981837 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.683 3 5 0 -23.2861229818161 24981836 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.343 2 4 -11.436766951487 24981835 C1=CC(=CC=C1C(=O)NCCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)Br 1 2.877 5 2 0 -15.55718099009 24981834 CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CSCC2=CC=CC=C2 1 3.515 2 2 -16.9913021868766 24981833 CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2OC)S(=O)(=O)N3CCOCC3 1 1.603 2 7 0 -31.056074161941 24981832 CC1=CC=CC=C1OCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 3.341 2 6 0 -21.3223009658298 24981831 CC1(CC1(Cl)Cl)C(=O)OCC(=O)NNC(=O)COC2=CC=C(C=C2)Cl 1 1.826 2 5 0 -5.06309014882027 24981830 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 3.191 3 4 0 -19.0624826868545 24981829 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3O 1 2.449 3 6 0 -5.44450940637519 24981828 CC1=CN=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.084 2 2 -0.792503822334073 24981827 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4OC 1 4.315 2 6 0 -22.7426652819552 24981826 CN(C)C1(CCCCC1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Br 1 4.127 3 3 -10.4598136926325 24981825 CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N4CCCCC4)C 1 4.454 3 4 0 -15.0767667599105 24981824 C1CCN(CC1)C(CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CO4 1 4.23 3 4 0 -15.1426965395743 24981823 CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CO2)N3CCCCC3)S(=O)(=O)NC4=CC=CC=C4OC 1 3.952 3 5 0 -21.7176270499089 24981822 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3 1 3.281 2 4 -14.7264632214212 24981821 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3O 1 2.603 3 5 0 -4.26532004552302 24981820 C1=CC=C(C(=C1)CC(=O)OCC(=O)C2=CNC3=CC=CC=C32)[N+](=O)[O-] 1 3.163 2 5 0 -8.73307277478812 24981819 C1=CC(=C(C(=C1)Cl)NC(=O)COC2=CC=C(C=C2)C3=NN=CO3)C(F)(F)F 1 3.355 3 3 -2.04325607365321 24981818 CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C 1 1.191 4 6 0 -23.7581722112793 24981817 C1=CC(=CC=C1/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)F 1 1.857 3 4 0 -13.8297571506856 24981816 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)S(=O)(=O)N4CCOCC4 1 0.475 4 7 0 -33.8595666964316 24981815 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)NC(=O)N4 1 1.878 4 6 0 -28.075263268173 24981814 C1=CC(=CC=C1OCC(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)Br 1 1.768 3 5 0 -17.5294976677363 24981813 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C4=CC=CC=C4 1 2.71 4 6 0 -23.2820028833885 24981812 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C4=CC=CC=C4 1 2.186 4 6 0 -22.9586103624328 24981811 CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F 1 3.869 1 5 -11.1831650376932 24981810 CC1=CC(=C(C=C1)Cl)OCC(=O)NC2=CC=CC=C2N3CCCCC3 1 4.68 2 2 -4.93649307057196 24981809 CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.132 3 4 0 -18.7324961105789 24981808 CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=CC=CC=C2N3CCCCC3 1 2.286 4 3 0 -17.3521114123412 24981807 COC1=CC=C(C=C1)OCCCC(=O)NNC(=O)C2=CC=NC=C2 1 1.109 3 4 0 -11.6443631140044 24981806 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC=C(O2)C)N 1 1.867 4 4 0 -8.58449935852561 24981805 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC3=C(C=C2)N4CCCCCC4=NS3(=O)=O)N 1 2.403 6 5 0 -15.4089860702862 24981804 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC)N 1 1.893 5 6 0 -19.9446387748352 24981803 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC(=CC=C2)NC(=O)C 1 0.454 3 6 0 -22.4865690053093 24981802 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CSC4(N3C(=O)CC4)C 1 1.663 3 5 0 -21.7380247068646 24981801 COC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.872 3 6 0 -17.4847242360435 24981800 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.46 3 6 0 -21.559687924997 24981799 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)NC3(CCCCC3)C#N 1 2.143 4 5 0 -16.571140708381 24981798 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=NOC(=C3)C 1 2.028 4 5 0 -27.9282513268384 24981797 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3)C 1 1.02 2 7 0 -28.0092426814051 24981796 CC1CCCN(C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 3.105 2 5 0 -16.3503474905651 24981795 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)CC2=CSC=C2 1 3.183 2 2 -10.5882997080004 24981794 CC1=CC(=NO1)C(=O)N(C)CC(=O)NC2=CC(=CC=C2)F 1 1.114 3 3 0 -13.5999719131874 24981793 CCC1=NOC(=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3)C 1 2.857 3 4 0 -21.7094910171334 24981792 CC1=C(N=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4OC 1 4.75 3 4 0 -17.7367795026498 24981791 CCOC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C 1 3.906 4 3 0 -5.36736616927114 24981790 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)CC2=CSC=C2 1 2.225 2 3 -10.8520638423372 24981789 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 1.895 5 5 0 -18.7120195422001 24981788 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C2=CC3=CC=CC=C3C=C2OC 1 3.42 2 4 -8.4132502574519 24981787 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3 1 1.965 3 3 0 -14.8351356689843 24981786 CN(CC1=CC=CC=C1F)C(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCC4 1 3.195 4 3 0 -13.1997972292925 24981785 C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)NC3=CC=C(C=C3)OC(F)F 1 2.569 2 4 -8.84568951557416 24981784 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(C=C3)N4CCCC4=O 1 2.163 5 4 0 -18.9836813516611 24981783 CC(C)COC1=CC=C(C=C1)C(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 2.297 4 5 0 -11.3633814451476 24981782 CCN(CC(=O)NCC1=CC=CS1)C(=O)/C=C/C2=C(C=C(C=C2)OC)OC 1 2.411 2 4 -15.5460551997625 24981781 CC(C)(C)C1=CSC(=N1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 2.358 3 4 0 -17.3804900621748 24981780 CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C 1 4.334 2 5 0 -11.234656197337 24981779 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=C(C=CC(=N3)Cl)Cl 1 3.407 2 5 0 -15.989245951221 24981778 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CNC(=O)C2=CC=C(O2)Br 1 2.934 1 5 -12.5922528699793 24981777 C1CC2=NC3=C(C=CC(=C3)C(=O)N4CCCSC4=NC5=CC=CC=C5)C(=O)N2C1 1 3.408 4 2 -16.4733275735233 24981776 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSCC(=O)NC3=CC=C(C=C3)OC 1 1.562 5 5 0 -14.901850080136 24981775 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)F)NC(=O)C4=COCCO4 1 1.098 2 7 0 -18.8038805035512 24981774 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)OCC 1 3.527 4 4 0 -14.7255583130915 24981773 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CCCC2=CNC3=CC=CC=C32)OCC 1 3.785 3 4 0 -21.2644189343195 24981772 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(C3=CC=CC=C3S2)Cl)OCC 1 4.362 2 4 -10.3471415019095 24981771 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2CCCO2 1 1.165 2 3 0 -16.0720624759775 24981770 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2=CC3=C(C=C2)N4CCCCCC4=NS3(=O)=O 1 2.572 4 4 0 -13.854554958496 24981769 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)CC3=C(C(=CC=C3)Cl)Cl 1 4.243 3 3 -17.062253587955 24981768 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.153 4 5 0 -30.1657845714727 24981767 CCOC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)C2=CC=NC=C2 1 1.008 3 4 0 -10.8369558954101 24981766 COC1=CC=CC=C1CCC(=O)NNC(=O)C2=CC=NC=C2 1 1.195 3 3 0 -15.1859175860649 24981765 CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 2.753 2 5 0 -24.0776034898507 24981764 CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 1.849 3 4 0 -12.5412293404953 24981763 CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.252 3 3 -13.5213901053531 24981762 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 1.164 4 4 0 -21.2530479089656 24981761 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 1.328 3 5 0 -11.6440784213759 24981760 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N(CC(C)C)C2CCS(=O)(=O)C2 1 1.398 2 5 0 -19.7715842368162 24981759 CCCN(C1CCS(=O)(=O)C1)C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F 1 2.546 3 3 -15.4671901842324 24981758 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F 1 2.865 3 3 -15.8561859875722 24981757 CCN1C(=NN=C1SCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)OC)C3=CC=CO3 1 2.038 5 4 0 -16.9544846344504 24981756 CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCC4)C 1 3.799 3 3 -6.86340541922586 24981755 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)N(CC3=NN=C(O3)C4=CC=CC=C4Cl)C5CC5 1 3.078 4 4 0 -12.2129063837584 24981754 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.359 2 5 0 -19.5243200037715 24981753 CC1CCCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCC4 1 2.643 4 3 0 -16.3516075885608 24981752 C1CCN(C1)C2=NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4 1 2.777 4 3 0 -13.8395600153582 24981751 CC1CC(CN(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C 1 3.899 2 2 -15.1506328686464 24981750 C1CCN(C1)C2=NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl 1 3.7 5 3 0 -7.18489209588471 24981749 C1=CN=CC=C1NC(=O)CNC(=O)C2=CC=C(O2)Br 1 0.487 3 3 0 -12.2295209338196 24981748 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=NC=C3 1 2.805 3 4 0 -15.3740255575387 24981747 CC1=CSC(=O)N1CCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 1.824 3 4 0 -10.3748311316613 24981746 CC1CC(CN(C1)C(=O)C2CC(=O)N(C2)CC3=CC=C(C=C3)C)C 1 2.564 2 2 -15.7361741005867 24981745 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=CC=CC=C2C 1 3.259 4 5 0 -17.3506917002858 24981744 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=CC(=CC=C2)Cl 1 3.437 4 5 0 -14.2600674661057 24981743 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N 1 2.189 6 6 0 -23.3369980879799 24981742 CC1=C(NC2=C1C=C(C=C2)C(=O)OC(C)C(=O)NC3(CCCCC3)C#N)C 1 3.813 3 3 -7.1212031891825 24981741 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C 1 2.153 4 5 0 -27.0049756684162 24981740 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC(=CC=C3)Br 1 2.601 3 3 -18.4514772274975 24981739 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.746 3 5 0 -16.3798175400946 24981738 CC1=CC=C(O1)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 2.812 3 4 0 -16.4330746962863 24981737 CC(C1=CC=CC=C1OC)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 1.9 2 5 0 -23.9552957165444 24981736 CC1=C(C(=CC=C1)C)NC(=O)CN(C)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N 1 2.28 4 3 0 -14.7077861833959 24981735 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CCCC2=NC(=O)C3=CC=CC=C3N2 1 2.311 4 3 0 -20.4601799364353 24981734 CN(CC(=O)OC1=CC=C(C=C1)C2=NN=CO2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.735 3 5 0 -6.5507220071861 24981733 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 3.253 3 4 0 -24.3126677916223 24981732 COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4)OC 1 1.431 3 6 0 -19.0004521161755 24981731 COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CC=C(C=C3)Cl)OC 1 2.846 2 4 -11.3618354603815 24981730 COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NNC(=O)C3=CC=C(C=C3)Br)OC 1 1.858 3 5 0 -10.9732930101002 24981729 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC3 1 2.678 2 3 -6.7249528080594 24981728 CC1=C(C=C(C=C1)C(=O)NCC2CCCO2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.354 2 5 0 -19.7646614980495 24981727 C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 2.293 4 4 0 -19.573949802183 24981726 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC 1 0.635 3 8 0 -25.7168019472463 24981725 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=NC=C3 1 0.802 5 3 0 -8.39692877078181 24981724 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CCC3=CC=CC=C3Cl 1 2.382 4 3 0 -14.9314509749942 24981723 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CSCC(=O)NC3=NOC(=C3)C 1 0.691 6 5 0 -25.6162344793216 24981722 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3 1 3.068 3 3 -6.91896230085666 24981721 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=CC(=CC=C2)Br 1 3.521 4 5 0 -16.1318213810221 24981720 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C)(C)N3CCOCC3 1 2.42 3 4 0 -13.4210919168808 24981719 CC(C)(CNC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl)N3CCOCC3 1 3.929 2 2 -3.41471225043388 24981718 COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC)N4CCOCC4 1 2.931 3 6 0 -22.0913393999294 24981717 CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2)N3CCOCC3 1 1.941 3 4 0 -15.0375127683505 24981716 CC1=CC=CC=C1OCC(=O)NCC(C)(C)N2CCOCC2 1 1.768 2 3 0 -12.0554847891701 24981715 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C(C)C)C 1 4.109 5 3 0 -16.9996095390146 24981714 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CC3=CC(=CC=C3)OC 1 0.847 4 7 0 -12.008561794511 24981713 CSCCC(C(=O)NCC1=CN=CC=C1)NS(=O)(=O)C2=CC=CC=C2F 1 1.25 3 3 0 -25.0774324094332 24981712 CCOC(=O)N1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)C)C 1 1.436 3 5 0 -11.8312170027512 24981711 CC1=CC=C(C=C1)C(=O)NCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 1.888 4 6 0 -16.9366189070838 24981710 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CNC(=O)C3=CC=CC=C3F 1 1.608 4 6 0 -19.2628777542802 24981709 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 1.432 5 4 0 -26.0656115906346 24981708 CCCN(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 4.35 3 3 -19.0428488384148 24981707 CC(C(=O)NC1=CC=CC=C1F)OC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.222 3 5 0 -18.5442316849696 24981706 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.757 3 6 0 -21.6244459959113 24981705 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CSCC(=O)NC2=CC=C(C=C2)OC)N 1 0.784 5 5 0 -16.637581813119 24981704 CC1=C(N=C(S1)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O)C4=CC=CC=C4 1 2.864 3 3 -14.0817269612249 24981703 C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F 1 1.682 3 5 0 -26.2754846722991 24981702 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=O)NC4=CC=CC=C43 1 1.827 5 4 0 -11.4644904276477 24981701 CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)N(CC(C)C)C4=C(N(C(=O)NC4=O)CC5=CC=CC=C5)N 1 2.469 6 4 0 -19.5435792913214 24981700 CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 3.434 5 3 0 -8.23878072295192 24981699 CCCOC1=CC=C(C=C1)C(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 3.3 4 4 0 -9.18938801447746 24981698 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)C2CC(=O)N(C2)C3=C(C=C(C=C3)OC)OC 1 2.725 3 5 0 -14.621792148644 24981697 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CC3=NN=C(O3)C4=CC=C(C=C4)Cl)C5CC5 1 2.548 5 4 0 -15.1512645543561 24981696 CC(C(=O)NCC1CCCO1)SC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CCOC 1 2.722 3 4 0 -33.1586052421074 24981695 CC(C(=O)N(C)C1CCCCC1)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.183 3 5 0 -12.9372041011223 24981694 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.895 3 5 0 -26.6170013897786 24981693 CC(C(=O)C1=CC=CC=C1)OC(=O)C2=C(C=CC(=N2)Cl)Cl 1 4.241 1 3 -8.22797953278329 24981692 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 3.258 2 7 0 -22.3147129817398 24981691 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCC3=CC=C(C=C3)OC 1 1.434 4 6 0 -12.0141697591179 24981690 C1CC(CN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3)C(F)(F)F 1 3.126 2 3 -9.25214223575346 24981689 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC(=O)N(C)C2CCCCC2 1 2.313 5 6 0 -20.8982267244235 24981688 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NCC2=CC(=CC=C2)C(F)(F)F 1 3.503 2 2 -9.27350407327802 24981687 CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 1.463 4 6 0 -12.0730006316778 24981686 C1CN(CCN1C2=CC=CC=C2O)C(=O)CCNC(=O)C3=CC=C(C=C3)Cl 1 2.603 3 3 -5.94961349774039 24981685 CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)C3=CC=CC=C3O 1 2.026 2 3 -3.07868993248982 24981684 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 2.189 3 5 0 -21.7053336915236 24981683 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 3.231 3 5 0 -19.8357779728477 24981682 COC1=CC=CC=C1C(=O)NCCC(=O)NCC(C2=CC=C(C=C2)F)N3CCOCC3 1 1.973 3 4 0 -24.7366933498641 24981681 C1CCN(C1)C(=S)SCC(=O)NC2=C(C=C(C=C2)Br)Cl 1 4.714 2 1 -7.66674645963567 24981680 COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4O 1 3.102 3 5 0 -6.09228711615008 24981679 CCC1=NOC(=C1C(=O)N2CCCSC2=NC3=CC=CC=C3C(C)C)C 1 4.69 3 2 -17.2632091833759 24981678 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CCC(=O)C2=CC=C(C=C2)F 1 3.061 2 3 -16.1027948450571 24981677 CC1=CC=C(O1)C(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.985 4 4 0 -7.16424772316314 24981676 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2 1 -1.453 3 8 0 -26.8921284056769 24981675 CC1=CSC(=N1)SCC(=O)NC(=O)C2=CC=CC=C2OC 1 2.143 2 3 -16.593754160996 24981674 CN(CC(=O)NNC(=O)CC1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.523 3 5 0 -11.0130975975147 24981673 CC1=CC=C(O1)C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 0.725 3 5 0 -14.942693776938 24981672 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N(C)CC3=CC=CC=C3)C 1 3.096 2 5 0 -20.3933613078417 24981671 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3 1 3.118 4 3 0 -15.9159100682937 24981670 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.817 3 4 0 -27.9819249782795 24981669 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CCNC(=O)C2=CC=CC=C2Cl 1 3.211 3 3 -23.8230578309657 24981668 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 2.265 4 6 0 -27.53265484086 24981667 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC(C3)C(F)(F)F 1 3.122 2 3 -18.5695830775666 24981666 CC1=NN(C(=C1C(=O)OCC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)Cl)C4=CC=CC=C4 1 1.928 6 5 0 -10.8657029031545 24981665 CC(C(=O)NCC(C)(C)N1CCOCC1)OC2=CC=C(C=C2)Br 1 2.514 2 3 -11.257959886165 24981664 CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 1.653 4 7 0 -9.49697471611022 24981663 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=NC4=CC=CC=C4S3 1 1.787 5 6 0 -4.67802476159626 24981662 C1CN(CCC1C(=O)NCC(C2=CC=CS2)N3CCOCC3)S(=O)(=O)C4=C(C=CC=C4Cl)Cl 1 3.241 3 4 0 -18.2497568213437 24981661 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 3.134 3 4 0 -16.65008619462 24981660 COC1=CC=C(C=C1)OCCCC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.861 3 8 0 -17.8910389275942 24981659 CCC1=NOC(=C1C(=O)NNC(=O)COC2=CC(=C(C=C2)C)C)C 1 2.228 3 4 0 -16.9580721147865 24981658 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=NN=C(S4)SCC5=CC=CC=C5F)C 1 5.048 6 1 0 -11.8433387814695 24981657 CC1=C(N=CC=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)/C=C/C3=CC=CC=C3 1 2.919 3 3 3.22206275074195 24981656 CC1CC(CN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3)C)C 1 3.78 2 3 -13.9046572157571 24981655 C1=CC=NC(=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)SC(F)F 1 3.537 3 3 -13.6347783420091 24981654 CC1=CC=CC=C1OCC(=O)NNC(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C 1 3.28 5 3 0 -6.27519652579901 24981653 CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C 1 4.204 1 2 -9.60396923962549 24981652 CC1CC(CN(C1)C(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)C 1 2.594 3 2 -9.93890117807767 24981651 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 1.924 3 6 0 -9.00610087634536 24981650 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-] 1 2.837 4 5 0 -10.8696911149988 24981649 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=CC=C4 1 1.998 4 5 0 -24.3485356037598 24981648 CCOC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 3.054 2 4 -15.0685282893334 24981647 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O 1 2.012 3 4 0 -18.8571021311163 24981646 CC(C(=O)OC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)OC)OC3=CC=C(C=C3)F 1 4.464 1 6 0 -11.4644609935118 24981645 CC(=O)C1=C(N=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4 1 3.681 3 3 -1.73386401519441 24981644 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=NC(=C(S2)C(=O)C)C3=CC=CC=C3 1 2.666 4 4 0 -17.4027568528245 24981643 COC1=CC(=C(C=C1)OC)N=C2N(CCCS2)C(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 3.075 3 5 0 -16.055355004041 24981642 CC1=CC(=C(C=C1)OCC(=O)N(CC2=CC=CC=C2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N)C 1 3.644 4 4 0 -6.62132608511024 24981641 CC(C(=O)N(CC1=CC=CC=C1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)OC4=CC=C(C=C4)F 1 3.361 4 4 0 -6.25997736040828 24981640 CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 2.813 3 3 -16.6637449746556 24981639 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 1.711 4 5 0 -13.959322425881 24981638 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 1.585 3 5 0 -13.5316982604365 24981637 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)/C=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4 1 4.196 5 3 0 0.893027077295813 24981636 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OCC 1 2.919 2 8 0 -22.6143188953427 24981635 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)N 1 3.11 5 4 0 -17.8745257947017 24981634 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C)N 1 3.254 4 5 0 0.990039668807171 24981633 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)C)N 1 1.947 5 4 0 -12.9128959729492 24981632 C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(F)(F)F 1 2.376 3 4 0 -8.19832877431636 24981631 COC1=CC=C(C=C1)C(CNC(=O)CNC(=O)C2=CC=CC=C2Cl)N3CCCC3 1 2.957 3 3 -20.4681127034534 24981630 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC(C3=CC=CC=C3OC)N4CCCC4)F 1 4.413 3 4 0 -15.4566088090739 24981629 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CCSC2=CC=C(C=C2)C 1 3.768 2 2 -14.5838510480297 24981628 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.316 3 5 0 -17.7458874600411 24981627 COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)N4CCCC4 1 3.704 3 5 0 -17.903121427247 24981626 CC1=CC(=C(C=C1)Cl)OCC(=O)NCC(C2=CC=CC=C2OC)N3CCCC3 1 4.219 2 3 -14.5829434479876 24981625 CCN(CC(=O)NCC1=CC=CS1)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C 1 1.431 3 4 0 -22.0216186793213 24981624 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.358 4 6 0 -23.4271087137663 24981623 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 2.447 3 5 0 -21.7228117406192 24981622 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 2.463 3 4 0 -20.4191405133443 24981621 C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)N=CS3)C(F)(F)F 1 2.715 2 1 -7.23226619495851 24981620 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)C(F)(F)F 1 2.308 2 4 -10.5557219230833 24981619 C1CC(CN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C(F)(F)F 1 3.583 3 3 -16.1008955311859 24981618 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC(C3)C(F)(F)F 1 3.605 2 3 -8.10896063021682 24981617 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC(=O)N(CC)C2CCCCC2 1 2.662 5 6 0 -20.4215091070409 24981616 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC 1 2.3 4 4 0 -17.3452456788361 24981615 CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCC3)OC4=CC=C(C=C4)Br 1 3.11 3 5 0 -21.5364432482768 24981614 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCSC3=CC=C(C=C3)F 1 3.428 4 3 0 -9.26831289905519 24981613 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSCC(=O)NC3=CC=C(C=C3)C 1 2.521 5 4 0 -15.3580476539449 24981612 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 1.214 5 6 0 -20.946984441931 24981611 CC1=CC=C(C=C1)C(=O)CCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)OC 1 2.305 2 4 -11.875639718454 24981610 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC 1 2.684 3 6 0 -11.7567811747338 24981609 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 1 2.886 5 3 0 -1.83957920396691 24981608 COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4)OC 1 3.419 3 4 0 -2.42008701178312 24981607 CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3 1 2.772 4 3 0 -13.2674224357796 24981606 C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CCN3C(=O)C4CC=CCC4C3=O 1 2.884 3 3 -6.03780049715678 24981605 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4 1 3.938 3 2 -0.648138770245397 24981604 C1COCCN1CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3F 1 1.62 3 4 0 -13.0112330917945 24981603 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)N5 1 2.556 5 5 0 -16.794707424788 24981602 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCCN3CCOCC3 1 2.291 3 4 0 -16.2288477530561 24981601 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)NCCCN4CCOCC4 1 2.337 4 4 0 -21.3912711068319 24981600 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCN3CCOCC3 1 1.9 3 4 0 -13.0684918399053 24981599 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 3.415 3 4 0 -27.5110899423887 24981598 CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.832 2 4 -17.4303133853399 24981597 CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)N4CCC5=CC(=C(C=C5C4)OC)OC 1 5.512 3 4 0 -0.409224572436694 24981596 CCCCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC3=CC=C(C=C3)OCC 1 3.683 2 6 0 -24.1743724496385 24981595 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-] 1 2.498 5 6 0 -16.963967197215 24981594 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSCC(=O)NC2=CC=C(C=C2)OC 1 1.307 5 5 0 -16.9709846442763 24981593 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=CC=CC=C2C(C)(C)C 1 3.091 3 3 -18.8997315990217 24981592 C1CCC(=CC1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 2.834 2 4 -25.389747036272 24981591 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CCCCC3 1 2.925 2 4 -26.4868959310727 24981590 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.068 4 5 0 -25.1882262134665 24981589 CC1=NC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C 1 3.819 3 3 -7.18828079234005 24981588 CC1=CN=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 3.264 3 3 -22.025193656763 24981587 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F 1 2.892 3 4 0 -17.0973692022428 24981586 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2 3 6 0 -20.7500523368761 24981585 CC(C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.858 4 5 0 -17.5803139264759 24981584 C1CC(CN(C1)C(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2)C(F)(F)F 1 2.6 2 2 -8.02042180080134 24981583 C1CC(CN(C1)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C(F)(F)F 1 3.654 4 1 1.75000443142325 24981582 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCC(C4)C(F)(F)F)OC 1 4.732 2 3 -8.02066031666483 24981581 C1CC(CN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)C(F)(F)F 1 3.378 3 3 -16.8926963122553 24981580 C1CC(CN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl)C(F)(F)F 1 4.042 3 3 -16.8762628438723 24981579 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC(C3)C(F)(F)F 1 3.309 2 4 -13.5600655881955 24981578 CCC1CCC2=C(C1)C=C(S2)C(=O)N(C)CC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.774 3 3 -8.66410100396518 24981577 CC(C(=O)NCC(C1=CC=CO1)N2CCCCC2)OC3=CC=C(C=C3)Br 1 4.062 2 3 -14.1305174522479 24981576 CSCCC(C(=O)NCC(C1=CC=CO1)N2CCCCC2)NC(=O)C3=CC=CC=C3Br 1 3.614 3 3 -25.4191708272011 24981575 CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N(C)CC(=O)NC3=CC=C(C=C3)N4CCOCC4)C5=CC=C(C=C5)F 1 4.595 5 3 0 2.21040041719718 24981574 CCC1=C(SC(=C1)C(=O)NCC2(CCCCC2)N3CCCCC3)C 1 4.849 2 1 -8.88695419891333 24981573 CC(C)(CNC(=O)C1=CC=C(O1)C2=CC=CC=C2Cl)N3CCOCC3 1 3.316 2 3 -3.38344128760022 24981572 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl 1 3.615 4 2 -13.5511166522677 24981571 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)NCC(C)(C)N3CCOCC3 1 2.427 3 4 0 -14.7622547273076 24981570 CCC1=C(SC(=C1)C(=O)NCC(C)(C)N2CCOCC2)C 1 2.488 2 2 -10.2421965704045 24981569 CCC1(C(=O)N(C(=O)N1)CC(=O)NNC(=O)C2=C(OC=C2)C)C3=CC=CC=C3 1 0.742 4 5 0 -11.1931121020675 24981568 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NNC(=O)C2=C(OC=C2)C 1 1.06 3 4 0 -11.7385056157446 24981567 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NNC(=O)C3=C(OC=C3)C)C 1 0.705 4 5 0 -9.94784606579935 24981566 CC1=C(C=CO1)C(=O)NNC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=CC=C3 1 0.218 4 5 0 -10.8697195811117 24981565 CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C 1 2.35 3 5 0 -16.7970279949464 24981564 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCOC3=C(C=CC(=C3)C)C 1 3.077 2 6 0 -23.3788631887176 24981563 CC[C@H](C)CC1=CN(N=N1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)N5C=C(N=N5)CCCSC 1 7.062 19 8 0 -29.2220914570681 24981562 C1CCCC(CCC1)NC(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.904 2 4 -13.1511543890744 24981561 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=NC=CN=C3 1 2.637 3 4 0 -19.2987093423897 24981560 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.499 2 7 0 -30.8990721511954 24981559 CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)CSC3=NC4=CC=CC=C4N3 1 4.124 4 3 0 -23.4187887223315 24981558 CN(CCOC1=CC=C(C=C1)Cl)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 3.001 3 3 -10.0642304407087 24981557 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NCCC3=CCCCC3)C 1 3.609 2 2 -12.4809938855167 24981556 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CCCCC3 1 3.123 2 2 -15.5618768984033 24981555 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 4.363 3 2 -11.270040402434 24981554 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CCCCC3 1 2.439 3 3 -23.8911273889496 24981553 CCC1=NOC(=C1C(=O)N(C)CC(=O)NC2=CC=CC=C2C(F)(F)F)C 1 2.371 3 3 -17.0559812189001 24981552 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 3.898 2 3 -1.51388258650839 24981551 CCC1=NOC(=C1C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)C 1 2.862 3 4 0 -24.737045658853 24981550 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.044 2 3 -13.2699926383101 24981549 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CSC2=NC3=CC=CC=C3O2 1 3.101 3 3 -15.6623280303146 24981548 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CC3C4=CC=CC=C4C(=O)O3)Cl 1 3.05 2 5 0 -19.7964705041346 24981547 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NCCOC3=CC=CC=C3OC 1 2.418 2 4 -18.683301954969 24981546 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)N 1 1.635 5 6 0 -24.5876173782524 24981545 CN1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC 1 -0.298 4 5 0 -20.3172129692464 24981544 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)C3=CC=C(O3)Br 1 1.337 3 5 0 -25.7089406753162 24981543 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3Cl 1 1.674 3 4 0 -13.0542894962809 24981542 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)NCC4=CC(=CC=C4)OC 1 1.607 4 5 0 -26.8637484192997 24981541 C1CN(CCN1C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=CC(=C3)F 1 3.164 3 6 0 -18.435469604249 24981540 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CCNS(=O)(=O)C2=CC=CC=C2C(F)(F)F 1 2.593 3 4 0 -20.7265385757571 24981539 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CCNC(=O)C2=CC=CC=C2OC 1 1.931 3 4 0 -23.2672218300784 24981538 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OCC 1 1.983 3 5 0 -20.4352963352719 24981537 CC1=CC(=C(S1)C)C(=O)CCC(=O)N(C)CC(=O)NC2=CC=CC=C2Br 1 2.537 2 3 -12.739756989285 24981536 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CNC(=O)C2CCCCC2 1 2.162 3 3 -15.2804642156156 24981535 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CNC(=O)C2=CC=CO2 1 1.095 3 4 0 -17.295076900088 24981534 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CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N4CCCCC4 1 3.814 3 5 0 -16.5421702172832 24981297 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N(C)CC2=CC=C(O2)C 1 1.498 2 5 0 -13.9663723483816 24981296 C1=CC(=C(C=C1C(F)(F)F)NC(=O)C2=CC=C(O2)[N+](=O)[O-])N3C=NC=N3 1 2.513 5 4 0 -5.72204739776195 24981295 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)/C=C/C2=C(C=CC(=C2)Br)OC(F)F 1 4.107 2 3 -0.830976277157472 24981294 CC1CC(CN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C 1 3.498 2 3 -22.479291845387 24981293 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2C(=O)C3CCCCC3C2=O 1 1.706 2 5 0 -13.8577988943299 24981292 COC1=CC=CC(=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.595 2 4 -20.4969782186364 24981291 CC1=C(C(=NO1)C)C(=O)N(C)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 1.379 3 3 0 -13.3097362243107 24981290 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 1.459 3 6 0 -29.3384515656058 24981289 C1=CC=C(C=C1)CCCNC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 3.455 2 2 -16.5602243821402 24981288 C1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=CC=CC(=C3)C(F)(F)F 1 4.471 2 2 -2.44192704412103 24981287 CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C3=COCCO3 1 3.085 1 5 -4.11864702623621 24981286 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl 1 2.266 4 4 0 -20.059612817771 24981285 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCC4)C 1 3.799 3 3 -10.2260537289026 24981284 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NCC2=CC=NC=C2 1 1.843 3 3 0 -15.5996316575089 24981283 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(N3N)C4=CC(=CC=C4)F 1 1.059 8 4 0 -13.1254770845535 24981282 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C)Cl 1 4.18 5 3 0 -5.85426228171866 24981281 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC(=CC=C5)Cl)C 1 3.579 5 3 0 -15.1576099613531 24981280 COC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCC(CC3)O 1 2.795 2 5 0 -10.279111956131 24981279 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2)C3=CC=C(C=C3)OCC(=O)N(C)C 1 1.491 4 5 0 -26.0483081982809 24981278 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F 1 2.606 3 4 0 -20.7039172461339 24981277 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CNC(=O)C2=CC=C(O2)Br 1 1.663 3 4 0 -18.5108926580119 24981276 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CN2C(=O)C3CCCCC3C2=O 1 1.723 3 4 0 -15.8302764501683 24981275 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)OCC=C 1 3.32 2 5 0 -16.8709576859283 24981274 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=C(C3=C(O2)C=CC(=C3)OCC)C 1 4.053 2 4 -0.534865331954215 24981273 COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NNC(=O)C2=CC=NC=C2 1 0.576 4 4 0 -19.9819051323969 24981272 CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NC2=CC=CC=C2 1 3.933 1 3 -9.34567511124994 24981271 COC1=CC=CC=C1OCCNC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.711 2 6 0 -17.8044833815017 24981270 CC1CCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 2.888 3 3 -14.191658897347 24981269 CN(C1CCS(=O)(=O)C1)C(=O)CN2N=C(N=N2)C3=CC=CC=C3 1 0.278 5 3 0 -13.4170134830922 24981268 C1CCC(CC1)NC(=O)NC(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.772 3 5 0 -13.910308036298 24981267 CC1=CC(=NO1)C(=O)N(C)CC(=O)NC2=CC(=CC=C2)OC 1 0.892 3 4 0 -15.4472383932744 24981266 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=NC(=CS4)C5=CC(=C(C=C5)OC)OC)C 1 4.613 5 3 0 1.95550661645481 24981265 CCCCC1=NN=C(S1)NC(=O)CN2C(=O)C3CCCCC3C2=O 1 1.829 4 3 0 -15.9338681955083 24981264 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSCC2=CC=CC=C2C)N 1 1.754 4 4 0 -15.5998588526859 24981263 CC1=CC=CC(=C1)C2=NN(C=C2C(=O)N(C)CC(=O)NC3=CC=C(C=C3)N4CCOCC4)C5=CC=CC=C5 1 4.389 5 3 0 3.68725169757665 24981262 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3CSC4(N3C(=O)CC4)C 1 1.357 4 4 0 -16.5710923739938 24981261 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)N(C)CC3=C(C=CC(=C3)Br)OC 1 4.008 2 4 -12.8181930353448 24981260 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C 1 1.198 4 5 0 -19.713450170247 24981259 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-] 1 2.249 5 6 0 -19.2583157506869 24981258 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)N(C)CC(=O)NC3=CC=C(C=C3)F 1 2.535 3 4 0 -16.6646400569031 24981257 CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)COC3=C(C=CC(=C3)C)Cl)N 1 3.551 4 5 0 -8.92440683027024 24981256 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 2.335 3 6 0 -12.3059933414038 24981255 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCN3CCOCC3 1 1.9 3 4 0 -12.9231743304472 24981254 CC1CCCC(C1C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C 1 2.758 2 4 -22.9582916184319 24981253 CC1CCC(CC1)NC(=O)C2=CC=C(O2)C 1 2.688 1 2 -7.13929555947775 24981252 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.268 3 5 0 -13.5182644013958 24981251 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 3.149 4 4 0 -23.527766602625 24981250 C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.842 2 3 -4.07237640689607 24981249 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NNC(=N2)C3=CC=C(C=C3)OC 1 2.802 5 3 0 -7.61041371146224 24981248 CC1=CC=C(C=C1)OCC(=O)NC2CCSC3=CC=CC=C23 1 3.394 1 2 -9.51825976631095 24981247 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 3.703 3 4 0 -12.6123366619607 24981246 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3 1 1.069 4 5 0 -15.4516211319826 24981245 C1CN(CCN1C(=O)CCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 0.937 5 6 0 -26.5353811795039 24981244 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N(C)CC(=O)NC2=CC=CC=C2Br 1 1.704 4 4 0 -24.471191876257 24981243 C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 4.042 3 3 -17.8664186082847 24981242 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 2.384 4 5 0 -15.4266209474845 24981241 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)N(CC(C)C)C4=NC5=CC=CC=C5S4)C 1 5.725 5 1 -0.908832525327337 24981240 CCCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C)OC 1 1.045 4 7 0 -27.8102905101561 24981239 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)COC2=CC=CC=C2CC3=CC=CC=C3 1 4.632 2 3 -11.9397461678671 24981238 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)COC2=CC3=C(CCC3)C=C2 1 2.817 2 6 0 -19.8588345268549 24981237 CC1=CC(=CC=C1)OCC(=O)NNC(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C 1 3.28 5 3 0 -5.26021099620401 24981236 CN(CC(=O)NNC(=O)C1=CC(=C(C=C1OC)OC)OC)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.455 3 7 0 -15.4114555797552 24981235 CC(C)(C)C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3 1 1.558 2 5 0 -23.2610042508952 24981234 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=C(C=CC(=C3)Br)O 1 2.89 2 6 0 -18.5664508788954 24981233 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(O2)COC3=CC=CC=C3)OCC 1 3.585 2 6 0 -16.0403570209237 24981232 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N(C)CC(=O)NC3=CC(=C(C=C3)OCC)OCC 1 3.958 2 6 0 -3.33093729085978 24981231 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CSCC(=O)NC2=NOC(=C2)C 1 1.232 4 4 0 -25.6012999337238 24981230 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(OC(=C2)C)C)OCC 1 1.94 2 5 0 -17.8221091927255 24981229 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2CCCO2 1 0.858 4 4 0 -20.1029638202328 24981228 CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.398 3 7 0 -11.4717016459015 24981227 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N(C)CC(=O)NC3=CC=CC=C3Br)C 1 3.104 2 4 -16.1099964928187 24981226 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.163 4 7 0 -19.2298276066232 24981225 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSCC3=C(ON=C3C)C 1 2.263 3 5 0 -32.5731038463224 24981224 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CN2C(=O)C3CCCCC3C2=O 1 0.771 5 5 0 -13.9514153284075 24981223 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C 1 2.289 3 4 0 -21.3347377198698 24981222 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 0.803 4 5 0 -21.6894625571168 24981221 CCC1=NOC(=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C)C 1 1.678 3 6 0 -31.3645544000498 24981220 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.373 4 5 0 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-31.0361112601197 24981123 CN(CC1=CC=C(C=C1)SC)C(=O)CSCC(=O)NC2=CC=C(C=C2)OC 1 2.806 2 3 -9.82285285503634 24981122 CCC1=CC=C(C=C1)OCC(=O)NNC(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C 1 3.736 5 3 0 -6.40319532678808 24981121 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CC2C3=CC=CC=C3C(=O)O2)OCC 1 2.282 2 6 0 -21.9904889038916 24981120 C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)C2=CC=C(C=C2)OC(F)F 1 2.01 2 7 0 -14.9314303424997 24981119 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 1.849 6 6 0 -26.3024398039635 24981118 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)/C=C/C3=CC=C(C=C3)OC(F)F 1 4.109 2 7 0 -8.77454049176321 24981117 CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N)S(=O)(=O)N3CCOCC3 1 1.276 4 7 0 -31.7873135544537 24981116 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4 1 5.252 2 3 -21.0404656149691 24981115 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC(C)C3=CC=CC=C3Cl 1 3.751 3 3 -24.059171631561 24981114 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F 1 4.692 2 3 1.51318215112156 24981113 CC1=CC=C(C=C1)OCCC(=O)N(CC2=CC=CC=C2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 3.406 4 4 0 -8.84237802181628 24981112 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NCC(C3=CC=CS3)N4CCOCC4 1 3.649 4 2 -15.683298827501 24981111 COC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.256 3 4 0 -17.8842632542753 24981110 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F 1 1.814 3 4 0 -15.2306666142646 24981109 CC1=CC=C(C=C1)OCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.63 2 5 0 -22.0244185268006 24981108 CC1=NC(=C(S1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC)C4=CC=C(C=C4)F 1 2.597 3 5 0 -18.8920102412895 24981107 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CN2C3=CC=CC=C3OC2=O)OCC 1 2.113 3 6 0 -17.7009695295609 24981106 C1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(O2)[N+](=O)[O-])N3C=NC=N3 1 2.235 5 4 0 -6.75338572484658 24981105 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC 1 4.729 3 4 0 -12.6748676043989 24981104 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CSCC2=CC=CC=C2 1 3.223 2 2 -15.6029018261465 24981103 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CC4=CC(=C(C=C4)Cl)Cl 1 4.48 4 3 0 -14.8412467619856 24981102 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl)OCC 1 4.716 3 4 0 -13.6353354756532 24981101 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=C(C=CC(=C3)Cl)O 1 1.098 3 6 0 -15.3381763384009 24981100 CC1CCCN(C1)C(=O)COC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.858 2 5 0 -14.1115675066278 24981099 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])N 1 2.478 5 5 0 -13.3299460086696 24981098 C1CN(CCN1C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=C(C=CC=C5F)F 1 4.704 4 3 0 -8.65981433252355 24981097 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)OC 1 3.639 4 4 0 -16.1577754528796 24981096 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC 1 3.28 3 4 0 -13.5625124368919 24981095 CC(C(=O)NNC(=O)CCS(=O)(=O)C1=CC=CC=C1Cl)OC2=CC=CC=C2F 1 2.686 2 5 0 -18.4732096583327 24981094 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 0.812 3 6 0 -17.2723877455764 24981093 CN(CC1=CC=C(C=C1)Cl)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.919 3 4 0 -15.6776362482979 24981092 CC1=CSC(=O)N1CC(=O)OCC(=O)C2=CC=C(C=C2)Br 1 2.227 1 4 -11.3937289357813 24981091 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CSC4(N3C(=O)CC4)C)C 1 1.592 3 4 0 -21.95924686557 24981090 CC1=CC(=C(C=C1)OC(=O)C2CSC3(N2C(=O)CC3)C)Br 1 2.801 1 3 -5.25731844437367 24981089 CC1=NC(=CC=C1)NC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 2.67 4 2 -19.8879709933991 24981088 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)F)N4CCOCC4 1 3.153 3 5 0 -21.1352690142295 24981087 CCCN1C(=CC(=C1C)C2=CSC(=N2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3)C 1 3.236 5 2 0 -12.8840805756386 24981086 CC1=C(N=C(S1)NC(=O)CN2C(=O)C3(CCCC3)NC2=O)C4=CC=C(C=C4)F 1 2.448 4 3 0 -6.34651203522178 24981085 CC12CCC(=O)N1C(CS2)C(=O)NC3=CC=C(C=C3)SC(F)F 1 2.282 2 2 -6.79676947368567 24981084 CC1=CN=C(C=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)C 1 2.035 3 2 -13.2241830635683 24981083 COC(=O)C1=CC=C(C=C1)COC(=O)[C@@H]2CC(CN2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O 1 1.493 2 9 0 -15.348601879496 24981082 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NC2=CC=NC=C2 1 2.429 3 3 -18.0124179128723 24981081 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 1 3.551 5 3 0 -1.8078023827735 24981080 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 1.783 4 6 0 -22.3344155441514 24981079 C1CCN(C1)C2=CC=CC=C2NC(=O)COC3=C(C=C(C=C3)Cl)Br 1 4.485 2 2 -1.6313276435802 24981078 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 2.562 3 5 0 -21.3446964944559 24981077 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-] 1 0.862 4 8 0 -23.7520639978981 24981076 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C)OCC 1 3.552 3 5 0 -27.0476584127131 24981075 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)N(C)CC(=O)NC4=CC=C(C=C4)OC 1 3.537 3 4 0 -7.87745703479556 24981074 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3Cl 1 4.018 6 3 0 -17.5497616949322 24981073 CCC1CCC2=C(C1)C=C(S2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCC4 1 5.278 2 2 -15.0624514245468 24981072 C1CCC(CC1)(CNC(=O)C2=CC=CS2)N3CCCCC3 1 3.761 2 1 -9.90666740776792 24981071 CC1CCCCC1NC(=O)C(C)SC2=NC(=CS2)C 1 3.373 2 1 -15.479945295538 24981070 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NNC(=O)C(C)OC3=CC=CC=C3F 1 2.845 3 5 0 -17.8521049419275 24981069 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 2.289 6 4 0 -18.2135584991666 24981068 CC1=C(C(=CC=C1)C(C)C)NC(=O)CN2C(=O)C(NC2=O)CC3=CC=CC=C3 1 3.402 3 3 -9.45989512071721 24981067 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.886 2 7 0 -30.6092048613036 24981066 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.597 4 5 0 -11.6197206749884 24981065 C1CN(CCN1C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])S(=O)(=O)C4=C(C=CC=C4F)F 1 1.676 6 5 0 -21.2287886245253 24981064 CC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2F)S(=O)(=O)N3CCOCC3 1 1.122 3 6 0 -24.786014825907 24981063 CC1CCCCC1NC(=O)NC(=O)CN2C(=O)C(=C(C(=N2)C)C)C#N 1 1.282 5 3 0 -13.8902528122686 24981062 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)N 1 1.476 5 6 0 -15.2112558426481 24981061 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CSC2=CC=C(C=C2)Br 1 2.476 2 5 0 -19.5453416225614 24981060 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl 1 3.883 1 4 -10.5413005729892 24981059 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N4CCCCC4)F 1 4.174 3 4 0 -16.239046928283 24981058 COC1=CC=CC(=C1OC)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F 1 3.327 1 5 -6.76522188221457 24981057 CN(C)C1(CCCCC1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 3.362 3 4 0 -11.238118847262 24981056 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)N4CCCCCC4=NS3(=O)=O 1 1.807 4 5 0 -17.4932522780929 24981055 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=C(C=C(C=C3)OC)OC 1 1.617 3 6 0 -30.0796342682832 24981054 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=C(C=CS4)C 1 3.556 4 3 0 -17.8326931979091 24981053 C1CN(CCC1C(=O)N)C(=O)CNC(=O)C2=CC=C(O2)Br 1 -0.259 3 4 0 -12.6244395574315 24981052 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=C(N=CC=C2)SC3=CC(=C(C=C3)C)C 1 3.828 4 3 0 -15.8805602361816 24981051 CC1CN(CC(O1)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.158 2 5 0 -17.7965319727424 24981050 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=NC(=CS4)C5=CC=CS5)C 1 4.599 5 1 3.25323604276021 24981049 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)N 1 1.821 5 6 0 -25.7271596813263 24981048 CCOC(=O)C1=CC=CC=C1NC(=O)CSC(C)C(=O)NC2=NOC(=C2)C 1 1.895 3 5 0 -25.2638616652115 24981047 CCOC1=CC=C(C=C1)OCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C 1 2.545 2 7 0 -25.1301064793299 24981046 CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CC2=C(N=C(S2)C)C3=CC=C(C=C3)F 1 4.309 3 2 -7.42295445292011 24981045 C1CC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=CC(=C4)C#N)C(=O)N2C1 1 2.601 3 3 -16.6371992611122 24981044 CC1=C(SC=C1)C(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 2.585 3 4 0 -9.69491586958097 24981043 CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)Cl 1 3.589 2 4 -24.9993602576777 24981042 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=NN=C(S4)SCC5=CC=C(C=C5)F)C 1 5.048 6 1 0 -9.26469977976717 24981041 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)N 1 2.951 5 4 0 -14.3786608252413 24981040 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4 1 5.627 4 2 -4.66438459027518 24981039 CC1(CCS(=O)(=O)C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 -0.332 2 6 0 -22.1588788297388 24981038 CCC(=O)C1=CC=C(C=C1)OCC(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.823 1 7 0 -16.8077663360913 24981037 CC1=CC=C(C=C1)SCC(=O)OCC(=O)N(C)CC(=O)NC2=CC=CC=C2Cl 1 3.131 2 4 -14.1295483582799 24981036 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2CCCC2 1 1.517 2 5 0 -14.2188072078488 24981035 CC1=C(N=CC=C1)NC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C 1 3.335 4 1 -11.2509662076296 24981034 COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3)N4CCOCC4 1 2.954 3 5 0 -19.7490625555936 24981033 CC(C(=O)C1=CC=CC=C1)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.315 2 5 0 -12.0692575506855 24981032 CC1=NC(=CC=C1)NC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 0.824 4 3 0 -6.53230969160304 24981031 CC1=C(C=C(C=C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 2.023 3 4 0 -17.8926855008594 24981030 COC1=CC=CC=C1C(CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC)N3CCCC3 1 3.088 3 4 0 -27.8031343705764 24981029 CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)COC3=CC=CC=C3F 1 3.714 2 4 -21.6080048849455 24981028 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCCCCC2 1 2.57 2 3 -11.6901920128689 24981027 CSCCC(C(=O)NCC(C1=CC=CO1)N2CCCCC2)NC(=O)C3=CC=CC=C3Cl 1 3.53 3 3 -26.3374566370661 24981026 COC1=CC(=C(C=C1NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)OC)Cl 1 2.163 2 6 0 -22.4773522189544 24981025 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)[C@H](C(C)C)NC(=O)C3=C(C=CC=C3F)F 1 3.765 6 3 0 -16.9292785993763 24981024 CC1=CC(=NN1CCCNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC)C 1 1.682 4 3 0 -30.5514617515702 24981023 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4(CCCCC4)NC3=O 1 2.721 4 3 0 -4.22816513872476 24981022 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CCN2C(=O)C3CC=CCC3C2=O 1 1.344 3 4 0 -20.3385987395994 24981021 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(S3)S(=O)(=O)N4CCOCC4 1 1.718 3 6 0 -22.9434538685687 24981020 CC1=CC(=NN1CCCNC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2F)C 1 1.607 4 3 0 -31.488034518228 24981019 CC(=O)N1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2 1 0.233 2 4 0 -8.61862304708787 24981018 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F)N 1 1.589 5 6 0 -26.049750299035 24981017 CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)CC2=CNC3=CC=CC=C32 1 2.874 2 4 -12.5719976850437 24981016 CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3=COCCO3 1 2.194 2 3 -4.84065852136615 24981015 CC1=CC=CC=C1OCCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.769 2 6 0 -21.4963128668239 24981014 C1CCCN(CCC1)C(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F 1 5.22 1 2 4.19798705929903 24981013 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC4=C(N3)C=C(C=C4)OC 1 1.556 6 5 0 -10.0252637307165 24981012 CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C2=CC=CC=C2OCC3=C(ON=C3C)C)C 1 3.582 3 4 0 -21.2494528988312 24981011 CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CCCC)N 1 2.008 6 5 0 -14.5353962195584 24981010 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 2.822 3 5 0 -20.6409126744994 24981009 CC1=CC=C(C=C1)OCCC(=O)N(CCCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.754 4 5 0 -11.1715520727356 24981008 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C)N 1 1.264 6 5 0 -23.7609315784635 24981007 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)C)N 1 3.412 7 3 0 -11.6568048321389 24981006 CCC1=NOC(=C1C(=O)N2CCCSC2=NC3=CC=CC=C3OC)C 1 3.48 3 3 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C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NNC(=O)C4=CC(=CC=C4)Cl 1 3.518 4 2 -4.45630333994526 24980954 C1CC(=O)N(C1)CCCNC(=O)CSC2=CC=CC=C2F 1 1.353 2 2 0 -26.0971640314001 24980953 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC 1 0.84 2 7 0 -19.9520836704424 24980952 COC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC 1 1.525 2 6 0 -20.2412049273592 24980951 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NCC(C)(C)N2CCOCC2 1 2.411 3 4 0 -22.2376080311805 24980950 CC1=CC(=NC=C1)NC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 3.893 2 2 -4.56286914675666 24980949 CSCCC(C(=O)NCC1=CC=NC=C1)NS(=O)(=O)C2=CC=CC=C2F 1 1.25 3 3 0 -22.9811532332752 24980948 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3CCCCC3 1 2.895 2 5 0 -14.1951285074907 24980947 C1CCN(CC1)C(CNC(=O)COC2=CC=CC(=C2)C(F)(F)F)C3=CC=CO3 1 3.772 2 3 -11.7596780535222 24980946 CN(C)C(CNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1OC)C2=CC=CS2 1 2.49 3 3 -19.5289946555117 24980945 CC(=O)NC(CC(=O)OCC(=O)NCCC1=CC=CC=C1)C2=CC=CC=C2 1 1.905 2 4 0 -17.6518935494199 24980944 C1CN(CCN1C2=CC=CC=C2O)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Br 1 2.39 3 4 0 -6.00135632339338 24980943 CC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3O 1 3.073 2 3 -2.33377510647203 24980942 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=N3)O 1 2.251 3 4 0 -16.8689174959464 24980941 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.698 5 6 0 -18.1669708385508 24980940 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 4.701 4 3 0 3.329440513902 24980939 CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3 1 3.919 3 2 -13.1849449954322 24980938 CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)COC(=O)C2(CC2)C3=CC=CC=C3)N 1 0.98 4 6 0 -14.3495449077828 24980937 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CCNC(=O)C2=CC=C(C=C2)Br)N 1 0.923 5 5 0 -16.495748287795 24980936 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCCN3C=CN=C3)F 1 2.021 4 3 0 -8.60234783446012 24980935 CCOC1=CC=CC=C1OCC(=O)OCC2=CSC(=N2)CC(=O)NC3=CC=CC=C3C 1 3.819 2 5 0 -17.5223389452172 24980934 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.941 3 5 0 -24.2367780038377 24980933 CC1=CC(=C(N1C)C)C2=CSC(=N2)NC(=O)C3=COCCO3 1 1.063 3 3 0 -4.33663097122546 24980932 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N 1 1.761 4 5 0 -22.1459010082004 24980931 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=C(C=C(C=C3)N4CCOCC4)N5CCOCC5)C 1 1.898 5 5 0 -7.05507407274123 24980930 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)NCC(C2=CC=CS2)N3CCOCC3 1 3.807 2 3 -13.0654791397172 24980929 C1CN(CCN1C2=CC=CC=C2O)C(=O)CCNS(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 2.584 3 4 0 -7.41107267143374 24980928 CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 1.739 3 5 0 -5.47263818275315 24980927 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC 1 2.684 3 6 0 -11.7567811747338 24980926 CCCC1=C(SC(=C1)C(=O)OCC(=O)N(CCC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C 1 3.33 4 5 0 -10.4853667743278 24980925 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(O2)C3=CC=CC=C3OC 1 2.319 4 4 0 -15.8017187984965 24980924 C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 0.421 5 5 0 -11.9520146346333 24980923 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC(C2=CC=CS2)N3CCOCC3 1 1.82 3 4 0 -20.700371610677 24980922 CN1C=CC=C1C(=O)NCC(C2=CC=CO2)N3CCCCC3 1 2.585 3 2 -13.151129890557 24980921 COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 3.134 4 7 0 -8.40683722224976 24980920 CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 1.071 2 6 0 -15.9078602908824 24980919 CC1=CC(=CC=C1)NC(=O)CSCC(=O)OCC2=CC=CC=N2 1 2.272 2 3 -9.91413960647594 24980918 CC1=CC=C(C=C1)OCC(=O)NNC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.016 3 7 0 -21.8541440666334 24980917 CC1(C(=O)N(C(=O)N1)CC(=O)NCC(C)(C)N2CCOCC2)C3=CC4=CC=CC=C4C=C3 1 1.453 4 4 0 -12.453721726967 24980916 CC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC=CC=C2OCC3=C(ON=C3C)C 1 2.642 3 5 0 -18.0849548226575 24980915 CC12CCC(=O)N1C(CS2)C(=O)NNC(=O)COC3=CC=CC(=C3)C(F)(F)F 1 0.953 3 4 0 -7.51769967698434 24980914 COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 3.107 3 3 -14.1489526022332 24980913 C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 0.789 4 6 0 -22.0106526725677 24980912 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3OCC4=C(ON=C4C)C)C 1 3.249 3 5 0 -27.0028918011947 24980911 COC1=CC(=C(C=C1NC(=O)CSC(=S)N2CCCC2)OC)Cl 1 3.933 2 3 -15.9141033976068 24980910 CC1=CC=C(C=C1)OCC(=O)NNC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 1.11 3 6 0 -18.8316098308185 24980909 CC1=CC(=C(C=C1)C)SCC(=O)NCC(C2=CC=CO2)N3CCCCC3 1 4.36 2 2 -16.7819777060262 24980908 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 3.392 3 4 0 -7.32759414338146 24980907 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=NN=C(S2)C3CC3 1 2.046 4 2 -11.7587495477198 24980906 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCCN3CCOCC3)[N+](=O)[O-] 1 1.795 4 6 0 -14.5915524856654 24980905 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=C(S3)C)CC 1 3.166 4 3 0 -6.3217165110739 24980904 COC1=C(C=CC(=C1)C(=O)NCC2CCCO2)OCC3=C(C=C(C=C3)Cl)Cl 1 4.276 1 4 -13.7835729234671 24980903 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4)OC 1 2.685 3 6 0 -15.0952066558012 24980902 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=C(C=CC(=C2)C(=O)C)OC 1 2.496 4 7 0 -20.9223038973504 24980901 CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 1.613 3 4 0 -8.83869552319926 24980900 CC1=CC(=NO1)NC(=O)CSCC(=O)OC(C)C(=O)N(C)CC2=CC=CC=C2 1 1.61 3 5 0 -20.8811783355869 24980899 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)COC3=CC=C(C=C3)C(=O)C 1 3.215 2 6 0 -20.2840300490733 24980898 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC)C3=CC=CC=C3)N 1 3.232 5 5 0 -18.1681211129506 24980897 CC1=CC(=C(C=C1)C)SCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.096 3 3 -13.5014728932008 24980896 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)C4=CC=C(C=C4)Cl 1 3.178 2 3 -2.60244852685212 24980895 CC1=C(C=C2C(=C1)C(=CO2)CC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N)C 1 2.433 4 5 0 -6.76174180677384 24980894 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-] 1 3.079 2 6 0 -15.9277720814439 24980893 CC1=CC=C(O1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3 1 2.362 4 2 -5.70297343395481 24980892 CCOC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O)OCC 1 3.343 3 5 0 -14.5643625482962 24980891 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)COC3=CC4=C(CCC4)C=C3 1 1.852 4 6 0 -13.516156996137 24980890 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCSC3=CC=C(C=C3)F 1 2.999 4 5 0 -11.6790262169703 24980889 CC1=CC=C(O1)C(=O)NCCOC2=CC=CC=C2OC 1 2.194 1 4 -8.71610314989148 24980888 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NNC(=O)C3=CC=CC=C3 1 0.41 4 4 0 -11.2171349764881 24980887 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 3.392 3 4 0 -7.20812087944021 24980886 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CN2C(=O)C(NC2=O)(C)C3=CC=CC=C3 1 2.269 4 4 0 -17.1911547924099 24980885 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-] 1 3.294 4 5 0 -10.8696911149988 24980884 CC1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 4.1 3 3 -20.6314913952389 24980883 CC12CCC(=O)N1C(CS2)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 0.381 3 3 0 -7.71552748890405 24980882 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3F 1 2.09 2 4 -15.0893436711686 24980881 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC(=O)C2=CC(=C(C=C2)F)F 1 2.856 4 6 0 -20.2220269370531 24980880 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCOC3=CC=CC=C3 1 1.744 3 4 0 -21.2541151440104 24980823 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 1.078 5 5 0 -26.9864054491769 24980824 CN(CC1=CC=CS1)C(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 1.846 2 2 0 -14.6295906760556 24980825 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=CC(=C3)C(=O)NCCCOC)C)C 1 2.128 2 4 -27.1047197044607 24980826 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.288 3 6 0 -23.4658678369956 24980827 CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CSCC(=O)NC3=NOC(=C3)C 1 3.253 3 4 0 -17.2266741852412 24980828 CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CS3 1 3.49 2 3 -17.3995501361982 24980829 C1=CSC(=N1)NC(=O)CSC2=NN=CS2 1 0.479 4 1 0 -14.2343387243185 24980830 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 -7.7e-002 5 5 0 -28.4182950652605 24980831 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=C(C(=CC=C3)Cl)Cl 1 3.059 3 3 -7.87587595876267 24980832 CC1(CC1(Cl)Cl)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2OC 1 1.925 1 5 0 -7.60878052877842 24980833 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=C(C=CC=C3Cl)C(F)(F)F 1 2.467 3 5 0 -7.9583331476974 24980834 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.628 2 6 0 3.59692659888935 24980835 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC3=C(C=C2)NC4=C3CCCC4 1 3.304 2 5 0 -9.08110119808389 24980836 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CSCC2=C(ON=C2C)C 1 0.632 4 4 0 -26.9660356448631 24980837 CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NC3=NC=C(C=C3N2)Cl 1 1.179 6 3 0 -12.3794467640839 24980838 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=C(C=CC(=C3)Cl)OC 1 2.8 4 6 0 -11.4574876818169 24980839 CC1CCCC(N1C(=O)COC(=O)C2=NN3C(=CC(=NC3=N2)C)C)C 1 1.7 5 3 0 -17.984319200299 24980840 CC1=CSC(=O)N1CC(=O)OCC(=O)C2=CC=CC=C2OC 1 1.462 1 5 0 -12.1656189814283 24980841 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)N 1 2.28 4 5 0 -2.76633514067018 24980842 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)COC(=O)C2=CC=CC=C2NCCO)N 1 1.166 5 6 0 -15.6078748355736 24980843 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)N3C=CC=C3 1 3.728 3 2 -10.0306452368264 24980844 CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)COC(=O)C3=CN=C(C=N3)C)C4=CC=CC=C4)C)C 1 4.488 5 3 0 -11.0395964178716 24980845 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)CN2C3=CC=CC=C3OC2=O 1 2.42 3 4 0 -12.8881831327516 24980846 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC=CC=C3N4CCCC4 1 2.841 3 3 -7.66688800633224 24980879 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)C)C 1 2.565 3 4 0 -24.7604491385691 24980878 C1=CC(=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC(=O)C3=CNC(=O)C=C3)Cl)Cl 1 1.494 4 5 0 -11.038736616888 24980877 COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC)N4CCCC4 1 3.704 3 5 0 -21.035500180835 24980876 CC1CCCCC1NC(=O)C(C)OC(=O)CNC(=O)C2=CC(=C(C=C2)C)C 1 3.439 2 4 -19.0235049990717 24980875 CC1CCCC(C1C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.213 3 3 -19.8493198513532 24980874 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=NC3=CC=CC=C3C=C2 1 3.853 3 2 -15.4060985969666 24980873 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=CC=C2OCC3=C(ON=C3C)C)OCC 1 2.994 3 6 0 -23.5126371617231 24980872 COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3 1 1.569 2 5 0 -17.9735128949137 24980871 CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 1.953 4 5 0 -17.2896074319883 24980870 CC1=CN=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 3.893 2 2 -7.66395303811824 24980869 CC1=CC(=NC=C1)NC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2 1 2.457 3 2 -7.27313161894331 24980868 C1=CC2=C(C=C1NC(=O)CSC3=NN=CS3)NC(=O)N2 1 0.344 5 2 0 -21.4491072739238 24980867 CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)C 1 2.186 2 3 -18.259104243634 24980866 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 2.91 3 4 0 -11.7194969222081 24980865 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=NC5=C(S4)C=C(C=C5)Cl)C 1 4.991 5 1 5.6418815875604 24980864 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.61 4 5 0 -21.1531447756505 24980863 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-] 1 2.531 5 6 0 -15.0165416113261 24980862 CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C 1 3.333 4 4 0 -22.6451824401966 24980861 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)N(CC3=CC=CO3)CC(=O)NC4=CC=CC=C4C(F)(F)F 1 3.169 3 4 0 -23.1497277389678 24980860 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 1.982 3 4 0 -16.8902847337129 24980859 CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)C3=CC(=O)NC4=CC=CC=C43)N 1 1.948 5 5 0 -12.0459498980423 24980858 CCC1=NOC(=C1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3)C 1 2.648 5 2 0 -15.7738728667989 24980857 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C)N 1 1.954 7 4 0 -7.1274940387568 24980856 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 2.778 5 7 0 -15.6122629734255 24980855 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)C(=O)NNC(=O)C3=CSC(=N3)N4CCOCC4 1 1.484 5 6 0 -11.3401811697506 24980854 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CC2C3=CC=CC=C3C(=O)O2)N 1 1.927 4 5 0 -13.9239563288148 24980853 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=CC=C4 1 2.079 4 6 0 -23.7518611113128 24980852 CC1=C(C=C2C(=C1)C(=CO2)CC(=O)N(CCCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N)C 1 2.495 4 5 0 -8.63465965771183 24980851 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCC3=CNC4=CC=CC=C43 1 2.936 5 5 0 -16.3170145014805 24980850 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl 1 3.077 3 4 0 -23.7938420390188 24980849 COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)COC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.116 4 7 0 -17.810767240742 24980848 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C 1 1.38 4 6 0 -29.317626904034 24980847 C1CCC(CC1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3 1 3.936 1 3 -7.91296307058892 24980822 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=C(C=CC(=C2)C)C 1 4.353 0 4 -12.6339092939357 24980821 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=NC=C4 1 2.415 4 3 0 -16.4354067675238 24980820 CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 1.412 4 4 0 -17.6622399716433 24980819 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCCC4 1 2.482 5 5 0 -16.4875623323362 24980818 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC)Br 1 1.759 5 5 0 -16.7725835590576 24980817 CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3 1 2.96 2 6 0 -28.3703887100882 24980816 CC(=O)N1CCN(CC1)C(=O)COC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 0.598 4 7 0 -22.6162519278608 24980815 CC(C)NC1=NN=C(S1)SC(C)C(=O)N(C)C2CCCCC2 1 3.058 4 1 -13.7165498146797 24980814 C1=CC(=CC=C1C(=O)NNC(=O)COC(=O)C2=CN=C(C=C2)Cl)Cl 1 1.966 3 4 0 -13.4690900939035 24980813 CC1CCCCC1NC(=O)C(C)OC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 4.678 2 3 -12.676308968168 24980812 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)NC(=O)C 1 2.184 3 4 0 -15.7889623495121 24980811 CC1=C(C=C2C(=C1)C(=CO2)CC(=O)N(C)CC(=O)NC3=CC=CC=C3Cl)C 1 3.855 2 3 -7.159761298716 24980810 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC=CC3=CC=CC=C32 1 2.772 2 3 -6.05346896304529 24980809 CC1=C(C=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4 1 5.252 2 3 -20.2511762174007 24980808 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NCCC3=CC=C(C=C3)Cl 1 4.056 2 3 -13.5371637682021 24980807 CSCCC(C(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.682 4 4 0 -15.8206417846943 24980806 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 0.642 4 7 0 -15.6890728701226 24980805 CC(C(=O)N(C)CC(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=CC=C(C=C3)Cl 1 3.272 3 3 -5.49953695878325 24980804 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.246 4 7 0 -13.5969375814775 24980803 CC1=C(C(=CC=C1)NC(=O)CNC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)C 1 3.031 4 3 0 -26.5637076613492 24980802 CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C)S(=O)(=O)N(C)C 1 3.305 5 3 0 -5.91014521625353 24980801 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)/C=C/C4=CC(=C(C=C4)OC)OC 1 3.552 4 5 0 -19.6262311496328 24980800 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCC4 1 1.866 5 5 0 -23.1880318660969 24980799 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3(CCCCC3)N4CCCCC4)F 1 4.987 3 3 -11.4480402385168 24980798 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC4=C(C=C3)OCCO4 1 2.23 4 5 0 -11.761211027551 24980797 CC1=CC(=C(C=C1C(=O)C(C)OC(=O)CSCC(=O)NC2=NOC(=C2)C)C)C 1 3.476 2 5 0 -18.813273256148 24980796 CC1=CSC(=O)N1CCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 1.666 3 6 0 -13.8141952213144 24980795 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.38 4 6 0 -32.4784358070905 24980794 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCCC(=O)OC 1 2.83 2 8 0 -25.7136204330366 24980793 C1CCN(CC1)C2=CC=CC=C2NC(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 3.75 3 2 -12.6554191087611 24980792 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CC3=CC=C(C=C3)OC 1 2.17 4 6 0 -12.9767786808183 24980791 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CC3=CC=CC=C3)C4=CC=C(C=C4)C 1 4.449 2 4 -20.3550280194445 24980790 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCCC2=CC(=C(C=C2)OCC)OCC 1 2.951 2 6 0 -20.8375612277811 24980789 CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F 1 3.9 2 4 -19.1862247819712 24980788 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4 1 3.321 2 4 -16.9748288542668 24980787 CCCOC1=C(C=C(C=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)OCCC 1 3.244 2 6 0 -21.7382844600244 24980786 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)N 1 1.157 4 6 0 -15.28224245112 24980785 CCOC1=C(C=CC(=C1)C(=O)OCC2=C(C(=CC=C2)OC)OC)OCC(=O)N3CCOCC3 1 2.505 1 8 0 -18.6118365738535 24980784 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CSC3=CC=CC=C3 1 2.545 4 5 0 -14.0325596712005 24980783 CCC1=NOC(=C1C(=O)NC2=NC(=CS2)C3=CC=CS3)C 1 3.061 3 2 -10.9792062651305 24980782 CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=NC=CN=C3 1 2.5 3 4 0 -21.3958511556504 24980781 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4 1 2.935 4 5 0 -19.3004396995144 24980780 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.42 5 6 0 -13.9388778682289 24980779 CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 1.957 4 6 0 -13.2792429958396 24980778 CC(C(=O)NCC1=CC=CC=C1)OC(=O)/C=C/C2=NC3=CC=CC=C3C=C2 1 3.895 2 3 -8.12765663129173 24980777 CC1=CN=C(C=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)Cl 1 2.213 3 2 -10.4645018900104 24980776 CC1CCCN(C1)C(=O)COC(=O)C2=CC3=C(C=C2)NC4=C3CCCC4 1 3.864 2 3 -7.05821405143055 24980775 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=C(S2)C)CC)N 1 1.908 4 4 0 -7.51052666534211 24980774 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)C(=O)N(C)CC3=C(C=C(C=C3)OC)OC 1 3.752 2 6 0 -8.02802299137208 24980773 CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3CC3 1 3.85 3 2 -20.0595534167404 24980772 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CCCOC2=CC=CC=C2 1 3.263 2 4 -9.27124342731718 24980771 C1CCN(C1)C(=S)SCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 4.019 3 1 -5.93494948890937 24980770 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F 1 5 2 3 -0.30856748169652 24980769 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC(=CC=C2)N3C=CC=C3 1 3.698 3 2 -9.07104554199923 24980768 C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.339 2 6 0 -18.6089172905288 24980767 CC1=CSC(=O)N1CCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N 1 0.22 4 6 0 -22.2192022844142 24980766 C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(C=C2)Br 1 2.7 1 5 -16.0590775174494 24980765 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 2.881 4 3 0 -25.6025183933884 24980764 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)OCC 1 2.324 2 8 0 -33.3246302504823 24980763 CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC(C3=CC=C(C=C3)F)N4CCOCC4)C 1 5.161 3 2 -15.0683400908585 24980762 CC1=CC=C(O1)C(=O)NCC2(CCCCC2)N3CCCCC3 1 3.349 2 2 -7.15675552866585 24980761 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CCC(=O)C2=CC=C(C=C2)F 1 2.897 2 4 -17.1435637506772 24980760 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C 1 3.338 4 2 -2.35047078213023 24980759 C1CC(CN(C1)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F 1 3.731 2 4 -1.84306639992188 24980758 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=C(N=CC=C3)SC 1 1.916 4 6 0 -32.8675949731747 24980757 COC1=C(C=CC(=C1)C(=O)NCC2=CC(=CC=C2)Cl)OCC(=O)N3CCOCC3 1 2.206 2 5 0 -17.8655058224027 24980756 CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 2.67 3 5 0 -16.2709908431391 24980755 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2CCC2 1 2.255 1 3 -11.6295612640292 24980754 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 3.713 3 3 -18.5707124517689 24980753 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CC2=NNC(=O)C3=CC=CC=C32 1 1.824 4 3 0 -22.3144874058769 24980752 CC12CCC(=O)N1C(CS2)C(=O)NCC3=CC(=CC=C3)OC 1 0.909 2 3 0 -9.50366287610385 24980751 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3 1 0.343 4 6 0 -25.0609782273741 24980750 CC1CCCCC1NC(=O)C(C)OC(=O)/C=C/C2=CC=C(O2)C 1 3.415 1 4 -11.9041281566193 24980749 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 0.786 5 5 0 -24.7120999359242 24980748 CC1CCC(CC1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 3.204 2 2 -17.2698329884219 24980747 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3CC(NC(C3)(C)C)(C)C 1 2.298 3 3 -25.9641080595466 24980746 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=CC=C3O 1 1.974 3 5 0 -7.54588462973092 24980745 CC1=CC=C(C=C1)OCCC(=O)OC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.468 3 5 0 -19.2247667230361 24980744 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(S3)SC 1 1.203 6 3 0 -15.9870851480697 24980743 CC1=CSC(=O)N1CCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 0.109 3 5 0 -18.3516852992098 24980742 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CN2C(=O)C3(CCCCC3C)NC2=O 1 2.111 4 6 0 -21.0050611936335 24980741 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)N 1 0.506 4 4 0 -14.2802281454996 24980740 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC(=CC=C2)N3C=CC=C3 1 3.516 3 2 -11.9167427020063 24980739 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C)OCC 1 4.056 2 5 0 -19.8432036632708 24980738 CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)CC2=CNC3=CC=CC=C32 1 3.34 2 3 -6.61836435313063 24980737 CC1=CC=CC=C1C(=O)NCC(=O)OC(C)C(=O)NC2=CC=NN2C(C)C 1 1.852 4 4 0 -27.2638304056475 24980736 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC(=NC3=CC=CC=C32)Cl)N 1 2.406 5 3 0 -11.1371438738743 24980735 CCOC1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.449 2 5 0 -21.6540828665506 24980734 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC3=C(C=C2)NC4=C3CC(CC4)C)OCC 1 4.473 3 4 0 -13.7753625894447 24980733 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C(=O)C4(CCC(CC4)C)NC3=O 1 1.526 5 6 0 -26.6100813879555 24980732 CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CSC4(N3C(=O)CC4)C 1 2.487 3 2 -3.99262578007363 24980731 CC1=CC(=C(N1CCOC)C)/C=C(\C#N)/C(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C 1 1.692 4 5 0 -25.4817377338742 24980730 CC1CC(CN(C1)C(=O)C2=CC3=CC=CC=C3O2)C 1 3.394 1 2 -3.15304493948309 24980729 CCC1=C(SC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C 1 2.561 2 3 -5.43242736580744 24980728 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=NC5=C(C=C(C=C5S4)F)F)C 1 4.738 5 1 3.27036801004599 24980727 CCC1=C(SC(=C1)C(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C 1 3.486 4 3 0 -6.68994859252471 24980726 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)C4=C5C(=C(SC5=NC=N4)C)C 1 5.132 5 1 5.3164867894561 24980725 CC1=C(C=CC(=C1)Cl)OCCCC(=O)NNC(=O)C2=CC=CC=C2O 1 3.184 2 4 -3.5065465089014 24980724 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CC2=CNC3=CC=CC=C32 1 4.239 1 3 -5.74859626828106 24980723 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC(=CC(=C3)OC)OC 1 2.303 2 6 0 -21.9947687660112 24980722 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(S3)S(=O)(=O)N4CCOCC4 1 1.566 3 6 0 -24.2007315191424 24980721 CC1=NC(=CS1)CC2=NN=C(O2)SC(C)C(=O)NC3=CC=CC(=C3)C#N 1 2.391 5 2 0 -18.3275863750684 24980720 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2 1 2.232 2 7 0 -25.6662817462403 24980719 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC 1 3.414 2 5 0 -13.4887865539529 24980718 C1=CC(=CC=C1CC(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)F 1 1.425 3 4 0 -16.7422582182214 24980717 C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC=N3)O 1 3.071 3 4 0 -18.0715758347492 24980716 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)C4=CC=CC=C4O 1 3.105 3 5 0 -16.7598757216981 24980715 C1CN(CCN1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.64 4 5 0 -17.1631607397228 24980714 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3C4=CC=CC=C4C(=O)O3 1 3.096 2 6 0 -24.556106318659 24980713 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.882 3 5 0 -3.15262503392933 24980712 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4C)N 1 1.962 5 6 0 -16.66704808158 24980711 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCCSC3=NC4=CC=CC=C4N3 1 3.145 6 3 0 -13.2940561654724 24980710 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)C3SCCS3)OCC 1 3.726 2 4 -17.437043456924 24980709 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)C(=O)NNC(=O)C3=CC=CC=C3O 1 2.587 3 6 0 -5.46831820102003 24980708 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24980698 CCC1=CC=C(C=C1)CN(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 3.197 3 4 0 -18.1557730527706 24980697 CSCCC(C(=O)OCCOC1=CC=C(C=C1)Br)NC(=O)COC2=CC=CC=C2 1 3.772 1 5 -17.745710767186 24980696 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)N(C)CC(=O)NC3=CC(=CC=C3)OC 1 2.313 3 5 0 -17.4591291747146 24980695 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2CCCC2 1 2.742 2 3 -13.5541848031538 24980694 CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)COC2=C(C=C(C=C2C)C)C)C 1 4.772 2 4 -15.0895679727087 24980693 C1=CC(=CC(=C1)Cl)C(=O)NNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 1.972 6 4 0 -9.45381869347244 24980692 COC1=C(C=C2CN(CCC2=C1)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Br)OC 1 2.628 2 5 0 -17.7197369803988 24980691 C1=CC2=NC(=CN2C=C1)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4 1 1.99 6 1 0 -11.109682362229 24980690 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)CC2C3=CC=CC=C3C(=O)O2 1 2.234 2 4 -15.5874254737776 24980689 CC1=CC(=C(C(=C1)C)OCC(=O)NC2=CC=CC=C2N3CCCCC3)C 1 4.987 2 2 -6.5798433204923 24980688 CC(C)(C)C1=CC=C(C=C1)OC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 3.485 1 6 0 -16.7482071551145 24980687 CC1=CC=C(C=C1)CN(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.787 2 4 -19.4838114259122 24980686 CN(C1=CC=C(C=C1)OC(=O)C2=COCCO2)S(=O)(=O)C3=CC=CC=C3 1 1.869 1 6 0 -13.2479836632494 24980685 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OCC)N 1 2.111 5 6 0 -21.5380335777624 24980684 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.672 2 4 -7.32278913101897 24980683 CC1=CC=CC=C1NC(=O)C(C)OC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2 1 2.998 2 5 0 -23.6420917720773 24980682 COCCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.252 2 6 0 -24.6194503613354 24980681 C1CN(CCC1C(=O)OC2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)F 1 4.018 1 3 -6.15737868836448 24980680 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 0.267 4 6 0 -28.3868489099654 24980679 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)N 1 0.158 5 7 0 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CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=CC=C(C=C3)Br)C 1 2.134 3 3 -9.92018811799819 24980668 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.456 3 6 0 -27.4360601502738 24980667 CC(C)C(C)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.689 2 7 0 -24.2111581331851 24980666 CC1CCCCC1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 2.652 5 3 0 -17.230310984514 24980665 CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)N(C)CC(=O)NC4=CC=C(C=C4)OC)C 1 4.435 4 3 0 -12.2428316197856 24980664 CCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 2.686 3 6 0 -30.1052049871565 24980663 C1=CN(C=C1)C2=CC=CC(=C2)C(=O)NNC(=O)COC3=CC(=CC=C3)F 1 2.788 3 3 -7.15403629182699 24980662 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-] 1 3.958 4 5 0 -10.977752198027 24980661 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)S(=O)(=O)C3=CC=CC(=C3)C(=O)N(CCOC)CC4=CC=CC=C4 1 2.483 4 5 0 -25.024845942354 24980660 CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)CN2C(=O)C3CC=CCC3C2=O 1 2.458 2 5 0 -11.3318421463555 24980659 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3F 1 1.774 5 4 0 -24.8657184813324 24980658 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)COC2=CC3=C(CCC3)C=C2 1 3.532 2 3 -14.6190185936227 24980657 CC1CC2=CC=CC=C2N1C(=O)COC(=O)CSC3=CC=C(C=C3)F 1 3.578 1 3 -10.526384526285 24980656 CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 2.077 3 7 0 -15.4634371905613 24980655 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OC(C)C(=O)NC2CCCCC2 1 2.592 5 6 0 -23.1160845090632 24980654 C1C(OC2=CC=CC=C2O1)C(=O)NNC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-] 1 0.792 4 6 0 -6.83120050288495 24980653 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC=C(C=C3)N4CCCC4=O 1 2.634 4 4 0 -25.8731410937847 24980652 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)N 1 1.566 5 6 0 -22.2660077671714 24980651 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)N 1 1.779 5 5 0 -21.4731531593536 24980650 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.643 2 3 -15.8150353526294 24980649 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 4.198 3 4 0 -10.8592057612213 24980648 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC4=CC=CC=C4C=C3OC 1 1.852 4 6 0 -10.87199851503 24980647 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 3.024 3 6 0 -6.10864694170334 24980646 C1CN(CCC1C(=O)OCC(=O)NC2CCS(=O)(=O)C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 -0.373 2 9 0 -31.1052474723822 24980645 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3C(=O)N4CCCCC4)C 1 2.53 4 4 0 -13.6493155640527 24980644 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)OCC 1 1.197 3 8 0 -25.0645175446734 24980643 CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)Cl 1 4.956 2 4 -21.8395055885259 24980642 CCOC(=O)CN(C1=CC=C(C=C1)F)C(=O)COC(=O)C2(CC2)C3=CC=CC=C3 1 3.331 1 5 -10.9830206280106 24980641 CC(C(=O)N1CCOCC1)OC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl 1 1.511 2 5 0 -17.2255254744305 24980640 CN(CC1=CC(=CC=C1)OC)C(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F)OC 1 4.357 2 5 0 -8.88301896559051 24980639 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N(C)CC(=O)NC3=C(C=CC=C3Cl)Cl 1 2.949 4 4 0 -13.1556847408215 24980638 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3 1 3.425 3 5 0 -26.3859510662313 24980637 CSCCC(C(=O)OCCOC1=CC=C(C=C1)F)NC(=O)COC2=CC=CC=C2 1 3.229 1 5 -17.3991726872062 24980636 CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)N(C)CC2=C(C=C(C=C2)OC)OC)C3=CC=CC=C3 1 4.074 2 5 0 -13.8008512255422 24980635 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=NN=C(N3C)C4=CC=CC=C4OC)C 1 1.406 6 4 0 -18.099675226071 24980634 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC 1 4.073 2 6 0 -11.4196381385872 24980633 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=NN=C(S3)CC(C)C)(C)C 1 2.429 5 3 0 -16.4642199146588 24980632 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)CC3=CC=CC=C3 1 3.055 2 5 0 -21.7732717606181 24980631 CC(C(=O)NCC1CCCO1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=CC=C4OC 1 4.364 3 4 0 -21.0012786711304 24980630 CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NN(C(=S)S2)C3=CC=C(C=C3)F 1 4.182 5 3 0 -13.4276390286904 24980629 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3F 1 3.218 2 5 0 -5.44419498444252 24980628 CC12CCC(=O)N1C(CS2)C(=O)OC3=CC=C(C=C3)C(=O)OC 1 1.421 1 5 0 -9.22296751136319 24980627 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)/C=C/C3=CC=C(C=C3)OC(F)F 1 3.837 2 5 0 -1.37403439706739 24980626 CC1=CC(=NC2=NC(=NN12)C(=O)OC(C)C(=O)NC3=CC=CC=C3OC)C 1 1.867 5 4 0 -18.6122283033741 24980625 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CSC3=C(C=CC(=C3)Cl)Cl 1 2.682 4 5 0 -11.2036992404584 24980624 C1CC2=NC3=C(C=CC(=C3)C(=O)OC4=CC(=CC=C4)F)C(=O)N2C1 1 2.928 2 3 -11.8238644117588 24980623 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=C(O3)Br 1 0.923 4 6 0 -10.8443878036425 24980622 CCC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C)C 1 2.349 3 4 0 -23.6486608931406 24980621 C1=C(OC(=C1)Br)C(=O)OCCCOC(=O)C2=CC=C(O2)Br 1 3.178 0 6 -4.60889426462989 24980620 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 1.958 3 3 0 -11.7463210236665 24980619 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.235 4 3 0 -16.0976133468373 24980618 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=NC3=CC=CC=C32)Cl)N 1 3.249 5 3 0 -11.0953100723903 24980617 C1CC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=C(C=C4)F)C(=O)N2C1 1 2.928 2 3 -13.0321853318164 24980616 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.27 3 8 0 -16.1134770867095 24980615 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N 1 1.5 4 5 0 -13.146888030882 24980614 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC(=C(S2)C)CC)N 1 2.388 4 3 0 -8.13288216107497 24980613 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.437 2 7 0 -24.8376913683569 24980612 C1=CC=C(C=C1)SCCCNC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 3.347 2 2 -17.0410215438968 24980611 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 4.359 2 4 -18.705645855203 24980610 C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3CCS(=O)(=O)C3 1 0.482 2 7 0 -22.2613109613117 24980609 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)C 1 1.092 3 6 0 -21.8622743394233 24980608 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=C(S2)C)CC 1 2.912 4 3 0 -8.46628499223223 24980607 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSCC2=CC(=C(C=C2)Cl)Cl)N 1 3.919 4 3 0 -13.1383429243919 24980606 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC=C(O2)[N+](=O)[O-])N 1 1.741 5 6 0 -9.63491164941739 24980605 CC1=CN=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 3.039 3 2 -2.58286964637368 24980604 CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N2CCCC2=O)[N+](=O)[O-] 1 0.189 3 8 0 -21.3264053349396 24980603 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)CN2C(=O)C3CC=CCC3C2=O 1 0.542 3 4 0 -11.6578495604126 24980602 C1CC2=NC3=C(C=CC(=C3)C(=O)OC4=CC(=C(C=C4)F)F)C(=O)N2C1 1 3.133 2 3 -13.5620625957351 24980601 CC(C)CN1C(=O)C(=O)N(C1=O)CC(=O)N2CCN(CC2)C3=CC=CC=C3 1 1.416 4 4 0 -8.96007137133499 24980600 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC3=C(C=C2)OCCO3 1 1.975 4 5 0 -15.77560848824 24980599 CC12CCC(=O)N1C(CS2)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4 1 1.617 3 4 0 -17.6163137357754 24980598 CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=C(C=C2)Br)Cl 1 3.31 2 2 -13.9321514016112 24980597 CC1=NN=C(S1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)OC 1 0.786 4 3 0 -14.665223461318 24980596 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4 1 5.154 4 3 0 -11.4605166522239 24980595 CCC1=NOC(=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(CC)CC)OC(C)C)C 1 2.688 3 5 0 -27.4279610193004 24980594 C/C=C/C1=CC(=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)OC 1 3.594 4 3 0 -12.8387670923893 24980593 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F)N 1 4.1e-002 5 6 0 -12.9578978786579 24980592 CCCC1=CC(=O)N=C(N1)SCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.091 6 5 0 -18.1945585002084 24980591 COC(=O)C1=CC=C(C=C1)CNC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.354 2 4 -10.7285279783923 24980590 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)N 1 3.187 5 5 0 -16.9994606978276 24980589 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C)N 1 2.751 5 5 0 -16.0132278402135 24980588 COC1=CC=CC=C1C(=O)COC(=O)CN2C(=O)C3CC=CCC3C2=O 1 1.381 1 6 0 -10.9010903682731 24980587 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=CC=C3)N4C=CC=C4 1 3.457 5 3 0 -9.25133500696199 24980586 CC1CN(CC(O1)C)C(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=CC=C4 1 4.306 2 2 -7.38993678494538 24980585 COC1=CC=CC=C1C(CNC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2F)N3CCCC3 1 3.013 3 4 0 -29.4409032016295 24980584 CC(C)(C)C(=O)NC1=CC(=C(C=C1)N2CCOCC2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.817 3 5 0 -16.2797090412853 24980527 C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)NCCOC4=CC=CC=C4 1 3.054 3 3 -25.6440727128119 24980528 CC1=CC(=C(O1)C)C(=O)OCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 0.224 4 7 0 -14.5230565710385 24980529 CN(CC(=O)NC1=CC=C(C=C1)OC)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N 1 1.292 4 4 0 -12.9012253112594 24980530 CC1(CCS(=O)(=O)C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 0.307 2 7 0 -24.6350013561735 24980531 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)COC3=CC=CC(=C3)C(F)(F)F)C 1 2.907 2 5 0 -11.8931678026222 24980532 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=C(S3)N 1 6.5e-002 5 5 0 -30.5350700838914 24980533 C1CCC(=CC1)CCN(C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C(=O)CCCOC4=CC=CC=C4 1 3.985 4 4 0 -11.6935085142741 24980534 CCC1=NOC(=C1)CN2C(=CC(=N2)C3=CC=CC=C3)C(=O)O 1 3.413 3 3 -8.7388214202251 24980535 COC1=CC=C(C=C1)C2=NOC(C2)CN3C(=CC(=N3)C(=O)NCC4=CC=CC=C4OC)C5=CC=CC=C5 1 4.934 4 4 0 -11.2637343911915 24980536 CC1=NOC(=C1)CN2C(=CC(=N2)C(=O)NCC3CC3)C4=CC=CC=C4 1 3.144 4 2 -10.3832882680355 24980537 CC1=CC(=CC(=C1)S(=O)(=O)CC2=NOC(=C2C(=O)NCCOC)C(=O)NCCOC)C 1 1.026 3 7 0 -14.9626403421748 24980538 COC1=CC=C(C=C1)C2=NOC(C2)CN3C(=CC(=N3)C(=O)NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6 1 4.719 4 5 0 -10.5719620443252 24980539 CC1=NOC(=C1)CN2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4OC 1 3.891 4 3 0 -9.77360166828836 24980540 CCC1=NOC(=C1)CN2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C 1 5.061 4 2 -12.466682560361 24980541 COC1=CC=C(C=C1)C2=NOC(C2)CN3C(=CC(=N3)C(=O)NCC4=CC=CS4)C5=CC=CC=C5 1 4.691 4 3 0 -11.6825162715804 24980542 CC1=NOC(=C1)CN2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC4=CC(=CC=C4)Br 1 4.656 4 2 -7.06420607361247 24980543 CCCCCCCNC(=O)C1(CCN(CC1)C(=O)C2=CC(=C(C(=C2)OCC)OCC)OCC)CC3CC(=NO3)C4=CC(=CC=C4)Br 1 7.011 3 6 0 -15.6742909509446 24980544 CCCCCCCNC(=O)C1(CCN(CC1)C(=O)C2(CC2)C)CC3CC(=NO3)C4=CC(=CC=C4)Br 1 5.524 3 3 -10.49321328233 24980545 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OCC 1 3.185 2 5 0 -26.4345683006058 24980546 CC(=O)C1=C(N=C(S1)NC(=O)C2CC(=O)N(C2)C3=C(C=C(C=C3)OC)OC)C4=CC=CC=C4 1 2.828 3 5 0 -5.85802744623986 24980547 CCOC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3(CCCCC3C)NC2=O)OCC 1 2.922 3 5 0 -17.3830820018839 24980548 CC1=NC=C(N=C1)C(=O)OCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 -0.761 6 6 0 -17.0026549482137 24980549 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC)C 1 2.672 4 6 0 -21.8484402527866 24980550 CC1=C(C=CC(=C1)Br)NC(=O)C2CSC3(N2C(=O)CC3)C 1 2.153 2 2 -7.7077717696052 24980583 CC1=NOC(=C1)CN2C(=CC(=N2)C(=O)NCC3=CC=CC=C3OC)C4=CC=CC=C4 1 3.891 4 3 0 -12.8465992104203 24980582 CC1=NOC(=C1)CN2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC4=CC=CS4 1 3.648 4 2 -10.0236106997678 24980581 COC1=CC=C(C=C1)C2=NOC(C2)CN3C(=CC(=N3)C(=O)NCC4=CC=C(C=C4)OC(F)(F)F)C5=CC=CC=C5 1 7.071 4 4 0 -6.19074412653182 24980580 CCC1=NOC(=C1)CN2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCCOC 1 2.86 4 3 0 -15.5494300042197 24980579 CCOC(=O)C1=CC(=NN1CC2=CC(=NO2)C)C3=CC=CC=C3 1 3.32 3 3 -5.04222880420824 24980578 CC1=CC=C(C=C1)CNC(=O)C2=CC(=NN2CC3=CC(=NO3)C)C4=CC=CC=C4 1 4.394 4 2 -7.26626122539971 24980577 CC1=CC(=CC(=C1)S(=O)(=O)CC2=NOC(=C2C(=O)NCC=C)C(=O)NCC=C)C 1 2.522 3 5 0 -15.7847954065039 24980576 CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)N3C=CC=C3)C 1 3.523 3 2 -10.5158046005435 24980575 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)/C=C/C4=C(C(=CC=C4)OC)OC 1 2.322 4 6 0 -18.0230925667326 24980574 CC1=CC=C(O1)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC=C(O2)C 1 0.39 2 8 0 -9.98501475652292 24980573 CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)F)N3CCOCC3)S(=O)(=O)NC4=CC=CC=C4OC 1 3.639 3 5 0 -21.7711750577427 24980572 CCOC1=CC=CC=C1C(=O)NCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 1.735 4 7 0 -19.9009939818701 24980571 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-] 1 2.124 5 7 0 -9.95113582288515 24980570 CCCCC1CCC(CC1)C(=O)OCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 2.911 4 6 0 -15.7457895207693 24980569 CC1CC1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2OC 1 1.522 1 5 0 -10.0668257437775 24980568 CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NNC(=O)C2=CC=CC=C2O 1 3.434 2 4 -5.02464826623296 24980567 CC(=NOCC(=O)OCC(=O)NCC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3 1 1.794 2 6 0 -15.533580426822 24980566 CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 3.044 3 4 0 -18.9839103264715 24980565 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-] 1 3.515 4 4 0 -8.8055571444458 24980564 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C(C)OC4=CC=C(C=C4)Cl 1 2.871 4 5 0 -19.0615025247806 24980563 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 1.098 7 5 0 -16.5149176935795 24980562 CCC1=CC=C(C=C1)C(=O)NNC(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C 1 3.901 5 2 0 -4.34612543626904 24980561 CC(=O)C1=C(N=C(S1)NC(=O)CN2C(=O)C3CC=CCC3C2=O)C4=CC=CC=C4 1 2.046 3 4 0 -6.7432044300925 24980560 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.924 3 5 0 -10.6914337201987 24980559 CC1=C(C=C(C=C1)S(=O)(=O)N2CC(C[C@H]2C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCCCC4)O)C 1 2.847 3 6 0 -11.8510334547322 24980558 CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2C)S(=O)(=O)N3CCCCCC3 1 3.912 2 4 -16.7475774120264 24980557 CC12CCC(=O)N1C(CS2)C(=O)NCC3=CC=CC=C3F 1 1.131 2 2 0 -10.5189132747367 24980556 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=COCCO3 1 2.355 1 6 0 -12.3519740240133 24980555 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CCOC2=CC=C(C=C2)C 1 3.741 2 3 -16.2032908932826 24980554 CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 1.726 5 4 0 -15.7306281630181 24980553 COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)OC 1 2.557 2 6 0 -21.44758566865 24980552 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2CC3CCCC(C2)C3=O 1 2.712 1 6 0 -12.9292787650898 24980551 CCCOC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.884 2 5 0 -20.5387766404332 24980526 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)NNC(=O)C3=CC(=CC=C3)Cl 1 1.75 4 3 0 -12.2664563269037 24980525 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=CC=C(C=C3)C(F)(F)F 1 2.239 4 6 0 -5.33985026906078 24980524 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)NNC(=O)COC3=CC=C(C=C3)Br 1 1.67 4 4 0 -13.5824723091731 24980523 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCCOC3=CC=CC=C3 1 1.234 4 7 0 -15.3001341785244 24980522 CSC1=C(C=CC=N1)C(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 2.076 4 4 0 -14.8796164981678 24980521 CC(C(=O)NNC(=O)C1=CSC(=N1)N2CCOCC2)SC3=CC=CC=C3 1 1.404 4 3 0 -8.78126850784648 24980520 CC12CCC(=O)N1C(CS2)C(=O)NC3=NC(=CS3)C4=C(C=CC(=C4)OC)OC 1 1.83 3 4 0 -5.2955556398761 24980519 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4C 1 3.015 2 5 0 -16.065680357556 24980518 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)/C=C/C3=CC=C(C=C3)OC(F)F)C 1 3.403 2 5 0 -9.34735909389044 24980517 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C(CCSC)NC(=O)C2=CC=CO2 1 2.475 3 4 0 -17.4581270992345 24980516 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)COC4=CC=CC=C4 1 2.952 4 4 0 -16.9644593252775 24980515 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=NC=C4)Cl 1 2.896 3 3 -18.7716866948904 24980514 CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC)Cl 1 3.627 3 4 0 -14.3571076644309 24980513 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=CC=CC=C2CC3=CC=CC=C3 1 4.827 2 2 -10.332319644865 24980512 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3CSC4(N3C(=O)CC4)C 1 0.43 5 4 0 -9.84211856792293 24980511 CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)/C=C/C3=CC=CC=C3 1 3.554 1 3 -12.0665100976035 24980510 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC(=O)C3=CC=CC=C3OC 1 9.8e-002 5 7 0 -24.7754441381539 24980509 CC1=CC(=CC=C1)NC(=O)CSCC(=O)N(C)CCOC2=CC=C(C=C2)Cl 1 3.48 2 3 -7.99077234424274 24980508 CC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 3.755 3 4 0 -18.8909445766168 24980507 CN1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)F 1 1.883 3 4 0 -3.40633520784692 24980506 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)NCC3CCCO3 1 2.377 2 4 -16.342447720248 24980505 CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)OC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.633 3 5 0 -17.3093321913339 24980504 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CN3C(=O)C4CCCCC4C3=O 1 2.427 3 5 0 -7.44764104779758 24980503 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=C3CCCC3 1 2.421 3 1 -8.46764144866787 24980502 COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3)OC 1 2.258 2 6 0 -16.3791554130629 24980501 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSCC(=O)NC2=CC=CC(=C2)C)N 1 0.35 5 5 0 -13.8029666759027 24980500 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.679 4 5 0 -17.35767948463 24980499 CC(C)CC1=NN=C(S1)NC(=O)CN2C(=O)C3CCCCC3C2=O 1 1.625 4 3 0 -13.343527852763 24980498 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)CSCC(=O)NC2=CC=C(C=C2)OC 1 2.924 3 4 0 -13.3255706916841 24980497 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 1.41 3 5 0 -10.6173993219245 24980496 CCOC1=C(C=C(C=C1)CCNC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)OCC 1 2.525 2 6 0 -25.5825886726848 24980495 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=C(N=CC=C3)Cl 1 0.552 5 6 0 -11.161688298878 24980494 CC12CCC(=O)N1C(CS2)C(=O)NCC3=CC=CC=C3Cl 1 1.59 2 2 0 -10.4455749558377 24980493 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC(=CN=C3)Br 1 1.94 4 5 0 -8.21447348774407 24980492 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCC(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)N 1 1.459 6 6 0 -24.971719279814 24980491 C1=CC=C(C(=C1)C(=O)NCC(=O)NCCSC2=CC=C(C=C2)Br)Br 1 3.785 2 2 -12.0173439362375 24980490 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSCC2=C(ON=C2C)C)N 1 1.472 5 4 0 -21.7443836071317 24980489 CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=C(OC(=C2)C)C 1 1.05 3 5 0 -16.5934956034381 24980488 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)/C=C/C2=CC(=CC=C2)Cl 1 2.466 2 5 0 -13.9341662448082 24980487 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CC3=CC=CC=C3)C4=CC=CC(=C4)C 1 4.449 2 4 -21.124624898633 24980486 CCCCN(C1=CC=CC=C1)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 3.066 2 4 -19.6897035836951 24980485 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 1.76 3 4 0 -22.6095458904371 24980484 CCCCCCCNC(=O)C1(CCN(CC1)C(=O)CCCCCBr)CC2CC(=NO2)C3=CC(=CC=C3)Br 1 6.509 3 3 -10.5638661951226 24980483 CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=NO2)C3=CN=CC=C3)C(=O)O 1 2.281 3 5 0 -0.444233494438581 24980482 CCCCCCCNC(=O)C1(CCN(CC1)C(=O)C2CCCC2)CC3CC(=NO3)C4=CC(=CC=C4)Br 1 6.02 3 3 -9.0994161115032 24980481 CCC1=NOC(=C1)CN2C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC 1 3.987 3 3 -10.2126474302962 24980480 CCC1=NOC(=C1)CN2C(=CC(=N2)C(=O)O)C3=CC=CC=C3 1 3.413 3 3 -11.2759635041819 24980479 C=CCNC(=O)C1=C(ON=C1CS(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 2.516 3 5 0 -20.2649526896798 24980478 CC1=NOC(=C1)CN2C(=CC(=N2)C(=O)NCC3=CC=CS3)C4=CC=CC=C4 1 3.648 4 2 -13.0966082418997 24980477 COC1=CC=C(C=C1)C2=NOC(C2)CN3C(=CC(=N3)C(=O)NCC4CC4)C5=CC=CC=C5 1 4.187 4 3 0 -8.96919629771617 24980476 CC1=NOC(=C1)CN2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC4=CC(=CC=C4)C(F)(F)F 1 4.85 4 2 -4.08851062250888 24980475 COCCNC(=O)C1=NN(C(=C1)C2=CC=CC=C2)CC3CC(=NO3)C4=CC=C(C=C4)OC 1 3.236 4 4 0 -11.6508447978277 24980474 CCC1=NOC(=C1)CN2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC4CC4 1 3.811 4 2 -12.6990086551987 24980473 C1=CC=C(C=C1)CNC(=O)C2=C(ON=C2CS(=O)(=O)C3=CC=CC=N3)C(=O)NCC4=CC=CC=C4 1 2.871 4 5 0 -12.4060454858513 24980472 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F 1 4.225 3 3 -7.88735688659914 24980471 C1CN(CCC1C(=O)NNC(=O)C2=CC=CC=C2O)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 2.16 3 5 0 -11.9916670865772 24980470 CC1=C(SC(=C1C(=O)OCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)NC(=O)C)C 1 0.367 5 7 0 -19.5103951183464 24980469 CC1=C(C(=NO1)C)CSCC(=O)NC2=CC=CC=C2N3CCCCC3 1 2.976 3 2 -17.0550033620474 24980468 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O)Cl 1 2.253 3 5 0 -20.8388092308035 24980467 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 0.455 4 8 0 -21.4716638023823 24980466 CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 0.955 3 4 0 -11.0922603422737 24980465 CC1CCCCN1C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F 1 3.441 2 5 0 -20.599033052585 24980464 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC3CCCCC3 1 3.668 1 5 -1.38551177643381 24980463 CC1=C(SC=C1)C(=O)N(C)CC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC(C)C)N 1 1.758 5 4 0 -17.4078434316623 24980462 CCOC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)C(=O)OCC 1 1.94 2 8 0 -23.0351711387233 24980461 C1CC(OC1)CNC(=O)C2=CC=C(O2)COC3=CC=CC=C3 1 2.437 1 4 -13.1095675503211 24980460 CCC1(C(=O)N(C(=O)N1)CC(=O)N2CC(=O)NC3=CC=CC=C32)C4=CC=C(C=C4)F 1 1.454 4 4 0 -11.6814828089941 24980459 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C)C4=CC=CC=C4 1 1.751 4 7 0 -26.0182582354886 24980458 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 3.231 4 5 0 -9.95850424490735 24980457 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C43)OC 1 2.695 2 6 0 -30.9439238990566 24980456 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C(C)OC2=CC=C(C=C2)Cl)N 1 1.851 4 5 0 -7.28309568765317 24980455 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCC3=CN=CC=C3 1 2.707 3 3 -11.2719883419117 24980454 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=C(C=CC(=C3)OC)Br 1 2.462 3 4 0 -8.91268785513201 24980453 CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC=CC=C2OCC3=C(ON=C3C)C 1 3.066 3 4 0 -22.12475543186 24980452 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=NC=C4 1 2.232 3 3 -19.9960832694685 24980451 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=NC=C3 1 2.506 3 3 -12.8391975620133 24980450 C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC=N4 1 2.778 3 3 -19.7052188671081 24980449 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.233 3 6 0 -20.3073745062575 24980448 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4 1 3.361 5 3 0 -8.69639800833492 24980447 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=N3 1 2.289 3 3 -20.5868246416465 24980446 CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC 1 3.552 3 7 0 1.25454836664492 24980445 C=CCN1C(=C2C=CC=CC2=N1)OCCO 1 2.002 2 2 -2.74071113269007 24980444 C[C@@H](C(=O)OCC(=O)C1=C(N(C(=O)N(C1=O)C)CC(C)C)N)NC(=O)C2=CC=CC=C2Cl 1 1.642 4 6 0 -23.09265557028 24980443 CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 1.157 4 5 0 -8.54943614521111 24980442 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 1.168 6 5 0 -19.8210933878732 24980441 CC(C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 2.86 3 4 0 -17.3099408471189 24980440 C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)F 1 2.161 4 4 0 -15.9563201128097 24980439 CCCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 2.584 4 3 0 -19.1468884481908 24980438 CC(C(=O)N1CCOCC1)SC2=NN=C(N2N)C3=CN=CC=C3 1 -3.e-003 6 2 0 -13.4872033262886 24980437 CC1=C(C=C(C=C1)C(=O)N=C2N(C=CS2)C)S(=O)(=O)N3CCOCC3 1 1.002 3 4 0 -25.0724334280238 24980436 C1CCC(=CC1)CCNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.567 3 4 0 -20.4766179725023 24980435 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C(=O)C 1 2.134 3 3 -6.2990556743566 24980434 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCN3CCCC3=O 1 1.728 3 4 0 -23.0070404570794 24980433 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCOCC2)C 1 0.915 2 4 0 -13.1185840238782 24980432 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N 1 1.77 2 6 0 -23.8222921403564 24980431 CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)N(C)CC(=O)NC3=CC(=CC=C3)OC)C4=CC=CC=C4 1 4.991 4 3 0 6.00338950289604 24980430 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CSCC2=CC=C(C=C2)C)OCC 1 3.431 2 4 -20.3496163382941 24980429 CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CC2=C(C=CC=C2Cl)F 1 3.792 2 3 -11.144375802786 24980428 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CSC4(N3C(=O)CC4)C 1 1.285 3 5 0 -21.7532028250942 24980427 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F 1 2.535 3 4 0 -15.6829056432627 24980426 CC1CC(CN(C1)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C 1 3.899 2 4 -5.70842124361223 24980425 CC12CCC(=O)N1C(CS2)C(=O)NNC(=O)C3=CC=CC=C3 1 0.176 3 3 0 -9.22305208187865 24980424 CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)F)N 1 3.893 6 4 0 -17.1215669270312 24980423 CC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)C)C(=O)OCC(=O)N2CCCC2=O 1 1.319 2 6 0 -24.5672979705309 24980422 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=CC=C(C=C2)C(C)C 1 3.967 4 5 0 -16.0671165236995 24980421 CCCC1=C(SC(=C1)C(=O)N(C)CC(=O)NC2=CC(=C(C=C2)OCC)OCC)C 1 4.042 2 4 -11.6924650798387 24980420 COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 2.808 3 4 0 -10.614852421127 24980419 C1CC1N(CC2=NN=C(O2)C3=CC=C(C=C3)Cl)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CO6 1 5.002 4 3 0 0.440396316754843 24980418 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C)N 1 3.486 5 4 0 -8.49884049295837 24980417 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N(C)C 1 0.734 5 6 0 -26.3872913137114 24980416 CC1=C(C=C(C=C1)F)NC(=O)COC(=O)COC2=CC=C(C=C2)C#N 1 2.727 2 4 -12.3869338529769 24980415 CCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N(CC)CC 1 1.899 3 6 0 -29.5383816433967 24980414 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)N 1 2.736 4 5 0 -2.67798301968038 24980413 CN(CCOC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.62 3 5 0 -6.19784166169615 24980412 CS(=O)(=O)C1=CC=CC=C1C(=O)N(CCC2=CCCCC2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 3.106 4 5 0 -15.1296370551284 24980411 CCOC1=C(C=C(C=C1)CCNC(=O)CN(C)S(=O)(=O)C2=CC=CS2)OCC 1 2.362 2 5 0 -19.2899989145437 24980410 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)F 1 2.65 3 3 -12.3683387306204 24980409 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)N 1 3 5 4 0 -9.14176990628598 24980408 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=NC=C(C=C3)C 1 2.254 3 2 -10.0761811490154 24980407 C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=NC=C3 1 2.774 3 3 -19.9061101679056 24980406 CC(C)(C)OC(=O)NOCC(=O)N(CC1=CC=CC=C1)CC(=O)C2=CC=CC=C2 1 2.899 2 5 0 -11.3153879703042 24980405 C1C(=O)N(C=C(O1)C2=CC=CC=C2)CC3=CC=CC=C3 1 2.055 1 2 -1.04269571632254 24980404 COC1=C2C=CC=CC2=NN1CC=C 1 2.541 2 1 -3.30087035544981 24980403 C=CCC1(CCNCC1)C(=O)NC#C 1 1.288 2 1 0 -9.86965240694547 24980402 CCCN(C(C1=CC=CC=C1)C2=CC=CC=C2OC)C(=O)C=C 1 4.329 1 2 -9.70915378444292 24980401 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=CO3)N4CCCCC4 1 3.968 3 4 0 -15.6504235967205 24980400 COC1=CC(=CC(=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC 1 1.047 3 6 0 -24.871344031225 24980399 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC 1 1.748 3 7 0 -19.9746508682675 24980398 CCN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.834 3 3 -22.4761278583033 24980397 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=CC=CC=C3F 1 2.56 3 3 -10.6173516536818 24980396 CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4 1 2.827 3 5 0 -19.5911732352378 24980395 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)CN2C(=O)C3CC=CCC3C2=O 1 1.14 3 8 0 -15.6407089964797 24980394 C1CN(CCN1C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F)S(=O)(=O)C5=CC=CC(=C5)F 1 4.327 4 2 -9.71654664007483 24980393 C1CC(=O)N(C1)CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Br 1 1.99 3 4 0 -23.9455283765542 24980392 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=CC=C4 1 0.849 4 7 0 -25.7100438327625 24980391 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 2.646 2 7 0 -28.0781057696992 24980390 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4CCCCC4C3=O 1 2.473 3 4 0 -9.16489357911538 24980389 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.853 3 5 0 -26.8232339965286 24980388 CC1=CC=C(C=C1)CSCC(=O)N(C)CC(=O)NC2=CC=CC=C2C(F)(F)F 1 3.709 2 2 -14.6196739243545 24980387 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2CC(=O)N(C2)CC3=CC=C(C=C3)C)N 1 2.091 5 4 0 -15.51120372562 24980386 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F)OC 1 4.34 2 6 0 -9.09697592573036 24980385 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)Cl)C 1 5.03 4 1 4.02801860373259 24980384 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)CC3C4=CC=CC=C4C(=O)O3 1 2.016 3 6 0 -21.3327286226691 24980383 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 2.658 3 3 -17.1608579672897 24980382 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=C(O3)Br 1 2.115 4 6 0 -12.4943466248531 24980381 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5 1 3.887 5 4 0 0.419064672000157 24980380 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl 1 4.345 2 3 -3.2117467444989 24980379 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C)OCC 1 3.961 3 5 0 -19.7409743082521 24980378 CC(C)(CNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Br)N2CCOCC2 1 2.066 3 3 -22.4492190345934 24980377 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)CC2=C(N=C(S2)C)C3=CC=C(C=C3)F 1 4.574 3 2 -8.53087667098812 24980376 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F)N 1 1.364 5 5 0 -13.5384195729067 24980375 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)CCN2C(=O)C3CC=CCC3C2=O 1 2.191 3 4 0 -17.0363281952163 24980374 CC1(CCS(=O)(=O)C1)NC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 1.135 3 4 0 -26.0579000288416 24980373 C1CCCN(CCC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 3.991 2 3 -12.0499369014312 24980372 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC(C3)C(F)(F)F 1 3.605 2 3 -6.46976774203373 24980371 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)N2C(CC3=CC=CC=C32)C 1 3.222 1 5 -15.6554786060404 24980370 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=CC=C2CCC3=CC=CC=C3)OCC 1 4.976 2 4 -18.0099657793514 24980369 CC1=C(C=C2C(=C1)C(=CO2)CC(=O)N(C)CC(=O)NC3=CC=CC=C3Br)C 1 3.939 2 3 -8.64066660304878 24980368 CC1=C(NC(=C1C(=O)OC)C)C(=O)OC(C)C(=O)N(C)C2CCCCC2 1 3.165 2 5 0 -12.3250772092402 24980367 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=CC=C2OCC3=C(ON=C3C)C 1 2.815 3 4 0 -17.5648136767022 24980366 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CC3CCCCC3 1 2.54 4 5 0 -13.5038578229334 24980365 COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 1.544 3 6 0 -14.2865666486918 24980364 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2CC(=O)N(C2)C3=C(C=C(C=C3)OC)OC)N 1 1.817 5 6 0 -15.2299886901787 24980363 CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 2.024 5 7 0 -18.066471174473 24980362 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)F)N4CCOCC4 1 3.656 3 4 0 -17.0077984695146 24980361 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC2=CC3=C(CCC3)C=C2 1 3.697 1 4 -12.0276667420509 24980360 C1CN(CCN1C2=CC=CC=C2O)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F 1 4.061 3 4 0 2.35440691218457 24980359 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N(C)C3=CC=CC=C3)C 1 3.089 2 5 0 -17.6111920763182 24980358 C1CN(CCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)F 1 1.814 4 6 0 -21.8280085084675 24980357 COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCC4 1 2.682 3 5 0 -14.5915088871405 24980356 C1CC1N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C(=O)C4=CC(=O)NC5=CC=CC=C54 1 2.856 4 3 0 -10.6698309208776 24980355 C1=CC(=C(C(=C1)Cl)CC(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)Cl 1 2.548 3 4 0 -17.9525826378383 24980354 COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F 1 4.105 4 3 0 -9.92871885436642 24980353 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C(=CC(=C3)C(=O)NCC4=CN=CC=C4)Cl)Cl 1 2.38 5 4 0 -22.1387723185597 24980352 COC1=CC=CC=C1CNC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OC(F)F)OC 1 3.569 1 6 0 -13.3831905233832 24980351 CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 3.164 4 4 0 -4.99969272804418 24980350 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)CCOC2=CC=C(C=C2)OCC 1 3.795 2 4 -15.879765248156 24980349 C1=CC=C(C=C1)CN(CC(=O)C2=CC(=CC=C2)Br)C(=O)CCl 1 3.7 1 2 -6.52423307986101 24980348 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)C(=O)NCC(C3=CC=CO3)N(C)C 1 3.035 3 5 0 -14.6496131887137 24980347 C1CC(=O)N(C1)CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 1.241 3 4 0 -22.9736460816879 24980346 C1CC(=O)N(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 1.672 3 4 0 -28.3543003652522 24980345 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=CC(=CC=C2)OC)OCC 1 3.766 1 6 0 -14.4451662650352 24980344 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Br 1 3.008 1 4 -13.3989156820053 24980343 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 1.173 4 8 0 -15.6678003318412 24980342 C1=CC=C(C(=C1)C(=O)NCC(=O)OCC(=O)NCCNC(=O)COC(=O)CNC(=O)C2=CC=CC=C2F)F 1 -0.161 4 8 0 -18.5030593435633 24980341 CC(=NOCC(=O)OCC(=O)NCC1=CC=C(C=C1)OC)C2=CC3=C(C=C2)OCO3 1 1.778 2 7 0 -15.0606887825515 24980340 CSCCC(C(=O)OCC(=O)NC(=O)CN1CCCC1=O)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 0.48 4 8 0 -32.1477319934512 24980339 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)/C=C/C4=CC=C(C=C4)OC(F)F 1 4.041 4 4 0 -11.608135514024 24980338 C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N 1 2.143 3 6 0 -10.1049207078793 24980337 CCC1(C(=O)N(C(=O)N1)CC(=O)NCCN2C(=O)/C(=C/C3=CN=CC=C3)/SC2=O)C4=CC=CC=C4 1 1.475 5 5 0 -14.8618601757137 24980336 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC4=C(S3)CCCC4 1 2.165 4 6 0 -14.6866941065673 24980335 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3C(=O)C4CCCCC4C3=O 1 1.482 5 5 0 -12.6760106302022 24980334 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 4.542 3 2 -11.4377891280202 24980333 CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 4.21 3 3 -14.8480423112018 24980332 CC12CCC(=O)N1C(CS2)C(=O)N(C)CC3=CC=C(C=C3)OC 1 1.115 2 3 0 -7.39655310837684 24980331 CCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CSCC(=O)NC2=CC=C(C=C2)OC 1 1.649 3 5 0 -20.1293884415349 24980330 CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NCC2CCCCC2)C 1 4.299 1 3 -13.3315194285062 24980329 CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCC(=O)NC(=O)C2=CC=CC=C2 1 1.486 2 5 0 -13.9026543618359 24980328 CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.984 2 5 0 -28.3998918584912 24980327 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2CC(=O)N(C2)C3=CC=CC(=C3C)C 1 3.483 3 3 -15.3211631517162 24980326 COC1=CC=CC=C1OCCNC(=O)C2=CC3=C(C=C2)OCCO3 1 2.439 1 5 -13.8347757772945 24980325 CC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)N2CCN(CC2)C(=O)C 1 -0.287 3 5 0 -19.9793317926453 24980324 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.095 2 6 0 -26.9704040049769 24980323 C1=CC(=C(N=C1)NC(=O)CNC(=O)C2=CC=C(O2)Br)O 1 0.784 3 4 0 -9.66917625848896 24980322 CCN(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 3.587 3 3 -16.4496995380625 24980321 C1=CC(=CC=C1OCCCC(=O)NNC(=O)C2=CC=NC=C2)Br 1 1.874 3 3 0 -10.7207813881753 24980320 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC 1 1.967 2 7 0 -26.154716669756 24980319 CSCCC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2 1 2.869 2 6 0 -17.8366921244117 24980318 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.557 3 5 0 -9.72043821721684 24980317 CC1=CC=C(C=C1)OCCCC(=O)N(C)CC(=O)NC2=CC=CC=C2Br 1 3.519 2 3 -13.859079216768 24980316 C1=CC=C(C(=C1)C(=O)NNC(=O)CC2=CSC=C2)O 1 1.326 2 3 0 -7.22374907177485 24980315 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=CC(=C3)C(=O)N(C)CC(=O)NC4=CC=C(C=C4)OC)C)C 1 3.022 3 5 0 -24.5671559468623 24980314 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)OC)C 1 4.872 4 3 0 -10.3345993102495 24980313 CC1=NN(C(=C1C(=O)N(C)CC(=O)NC2=CC=C(C=C2)OC)Cl)C3=CC=CC=C3 1 2.832 4 3 0 -7.84637596257794 24980312 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C(=CC=C3)OC)OC 1 3.522 1 6 0 -21.5276939191831 24980311 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC(OC(C3)C)C)OCC 1 3.167 2 6 0 -28.8116718005452 24980310 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.063 3 3 -10.8379954657945 24980309 C1CCN(CC1)C2=CC=CC=C2NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl 1 3.666 3 2 -11.1987593636596 24980308 CC1=C(C=C(C=C1)NC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)N4CCOCC4 1 1.12 4 5 0 -25.0647260948207 24980307 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=C(C=C(C=C4)F)Cl 1 2.757 4 4 0 -15.0251372029382 24980306 CC1=CSC(=O)N1CC(=O)OCC(=O)NC2=CC(=C(C=C2)F)F 1 1.27 2 4 0 -10.2050561893333 24980305 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NNC(=O)C3=C(OC(=C3)C)C)C 1 0.85 4 5 0 -12.9400891196519 24980304 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)F)N 1 0.805 8 4 0 -16.6363759049652 24980303 CNC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 0.74 3 5 0 -22.7498651645066 24980302 CN(CC(=O)NCC(C1=CC=CO1)N2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.627 3 4 0 -17.6313809151917 24980301 C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4)S(=O)(=O)N 1 0.998 5 6 0 -21.6908671344502 24980300 CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C 1 1.73 6 5 0 -17.4804237346901 24980299 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=CC=C3NC4=CC=CC=C4 1 2.379 5 6 0 -12.4668151913212 24980298 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSC(=S)N3CCCC3 1 3.487 3 3 -21.4861421023782 24980297 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)OC(=O)C3=NC=CN=C3 1 2.719 3 3 -10.573998023721 24980296 CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C 1 3.554 3 5 0 -21.5506187111192 24980295 CC1=C(C=C(C=C1)SCC(=O)OCC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C 1 3.517 4 5 0 -13.2651591384713 24980294 COC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC=NC=C2 1 0.755 3 3 0 -14.7829232115436 24980293 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl)N 1 1.552 5 5 0 -11.1059780182346 24980292 CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC(C)C 1 2.641 3 5 0 -32.5579257280927 24980291 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3N4CCCC4 1 1.571 4 4 0 -23.7726606988325 24980290 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 2.47 4 3 0 -24.7022767175328 24980289 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.002 2 9 0 -25.0937656766411 24980288 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=NC=CC(=C3)C 1 3.902 2 3 6.19401084205176 24980231 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC=CC=C2CC3=CC=CC=C3 1 4.06 2 2 -6.32178689795387 24980232 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CSCC2=CC(=C(C=C2)Cl)Cl 1 4.551 2 2 -13.2983485671009 24980233 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl 1 3.163 3 4 0 -20.1597733552676 24980234 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)/C=C/C2=C(C=C(C=C2)OC)OC 1 1.769 2 7 0 -17.0641084627943 24980235 CC1=CC(=C(C=C1)OC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3)Br 1 3.319 1 6 0 -18.4877451950094 24980236 CC(C1=CC=C(C=C1)F)NC(=O)CCC(=O)C2=CC=CC=C2 1 3.159 1 2 -10.7643468292096 24980237 C1=CC(=CC=C1C(=O)CCC(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)F 1 1.345 3 5 0 -19.1934645288573 24980238 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2C(=O)C3CCCCC3C2=O)N 1 1.091 5 5 0 -13.5761786957662 24980239 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 1.681 3 4 0 -12.1172676880204 24980240 COC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.256 3 4 0 -20.874215351208 24980241 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3OCC4=C(ON=C4C)C)C 1 4.295 3 3 -7.78264217778383 24980242 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)CC(=O)OC 1 2.226 2 6 0 -25.3291883814842 24980243 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)CCCC2=CNC3=CC=CC=C32 1 4.03 2 4 -17.3070542073123 24980244 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)OC 1 1.031 4 8 0 -15.2030061040015 24980245 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC3=C(C=C2Cl)N4CCCCCC4=NS3(=O)=O 1 2.604 4 5 0 -11.5930204765808 24980246 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CC(C2=CC=CC=C2)NC(=O)C 1 2.114 3 4 0 -10.8136836085767 24980247 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 3.481 3 4 0 -26.4803855299276 24980248 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.528 2 6 0 -19.7157380513081 24980249 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.162 2 6 0 -13.0962358306856 24980250 CC1CCCCC1NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC(C)C)Br 1 3.792 2 5 0 -22.6893268704478 24980251 CC1CCCCN1C(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-] 1 1.444 3 7 0 -19.3992855636322 24980252 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)OC 1 3.327 1 5 -15.1891411425162 24980253 COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] 1 2.607 2 8 0 -19.8663475117276 24980254 COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 0.888 2 7 0 -20.2388947778189 24980287 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=C(N=CC=C3)SC 1 0.89 5 5 0 -17.030697116537 24980286 COC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)OC(F)F 1 3.61 4 3 0 -10.6716903558607 24980285 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3COC4=CC=CC=C4O3 1 2.975 2 6 0 -22.9891605645089 24980284 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4 1 4.504 4 2 -3.67015644260848 24980283 C1CCN(C1)C2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F 1 3.769 3 3 -7.53288837243106 24980282 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C)N 1 2.047 5 6 0 -15.722720455462 24980281 CC(C)(C)OC(=O)NOCC(=O)N(CC1=CC=CC=C1)CC(COC2=CC=CC=C2)O 1 2.764 2 6 0 -12.4011601360661 24980280 CCNC(=O)C1=CC(=CC=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCCC3 1 2.005 4 3 0 -17.4793878197542 24980279 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4 1 4.766 2 3 -21.4018005026745 24980278 CCOC(=O)C1=C(NC(=C(C1C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OCC)C)C 1 0.365 3 9 0 -27.076420278936 24980277 COC1=CC=CC(=C1)CC(=O)OCC(=O)NC(=O)C2=CC=C(C=C2)OC(F)F 1 3.017 1 6 0 -8.07261718115819 24980276 CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)CCOC2=CC=CC=C2C 1 2.867 2 7 0 -22.9028628327251 24980275 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N4CCCCC4 1 3.968 3 4 0 -17.0995679711389 24980274 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3 1 1.44 3 4 0 -17.4234553991631 24980273 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)COC2=CC=C(C=C2)Br 1 1.917 2 6 0 -20.2632729180671 24980272 C1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)C2=CN=C(C=C2)Cl)C(F)(F)F 1 3.651 2 3 -9.97471561943442 24980271 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CSCC(=O)NC2=CC=C(C=C2)OC 1 2.077 3 4 0 -16.8307509482011 24980270 CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCN(CC4)CC 1 3.359 4 5 0 -20.55112181188 24980269 C1CN(CCN1C(=O)CCNC(=O)C2=CC=C(C=C2)Br)C(=O)C3=CC=CO3 1 1.576 3 4 0 -13.3708037025407 24980268 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC(C)C)C4=CC=CC=C4 1 2.98 4 6 0 -24.0600755140389 24980267 CSCCC(C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)COC2=CC=CC=C2 1 2.648 1 5 -21.6226102383283 24980266 CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.635 2 7 0 -24.4207132046597 24980265 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.959 2 4 -11.5363718602374 24980264 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CCCOC2=CC=C(C=C2)C(C)(C)C 1 3.154 3 4 0 -16.3460131641883 24980263 CC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)NCCNC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)C 1 0.4 4 8 0 -16.3631650273745 24980262 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4 1 3.043 4 5 0 -8.06305197747591 24980261 CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 1.35 5 5 0 -23.1951121347156 24980260 CN1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 0.382 4 4 0 -17.2152140552364 24980259 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2CCCCC2 1 4.087 1 4 -9.44376375643286 24980258 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)CCC3=CC=CC=C3OC 1 2.087 2 7 0 -30.1058354419856 24980257 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N 1 0.749 2 6 0 -21.3581953016463 24980256 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.441 4 3 0 -15.027038899705 24980255 C1CN(CCN1C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 0.64 4 8 0 -27.6740931747934 24980230 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)N 1 3.172 6 3 0 -9.73655561264955 24980229 CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)O 1 2.233 2 6 0 -11.2696899376432 24980228 CCOC1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC 1 2.8 2 6 0 -23.314679957505 24980227 CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.261 3 5 0 -10.8780006558697 24980226 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=C(C3=C(O2)C=CC(=C3)OCC)C)N 1 3.74 4 5 0 0.232949820234772 24980225 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)C34CC5CC(C3)CC(C5)C4 1 2.621 3 3 -6.15054125260041 24980224 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl)N 1 3.088 6 4 0 -15.0042863832995 24980223 CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4CCCO4)C 1 4.204 3 3 -29.1678820943523 24980222 CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 2.976 4 6 0 -10.1485393589941 24980221 CC1CCN(CC1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F 1 3.315 2 5 0 -22.3404538650033 24980220 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2C3=CC=CC=C3OC2=O)N 1 1.757 5 5 0 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1 3.097 3 4 0 -13.2908516345905 24980123 CC1=C(C=C(C=C1)NC(=O)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C)S(=O)(=O)N4CCOCC4 1 2.088 2 8 0 -27.1669086517879 24980122 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C)N 1 3.506 5 5 0 -16.179528631818 24980121 CC(=O)NC1=CC=C(C=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.612 3 3 -8.35569033577091 24980120 CC1=C(C(=NO1)C)CSCC(=O)N(C)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 1.779 3 3 0 -21.1558343166483 24980119 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CCCC3)S(=O)(=O)N4CCOCC4 1 2.026 3 5 0 -21.4734850057762 24980118 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CC4=C(C=CC=C4Cl)F 1 3.673 4 3 0 -17.3674955534228 24980117 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N 1 2.075 2 8 0 -4.99558400616334 24980116 C1COCCN1C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-])N4CCOCC4 1 1.462 5 5 0 -6.47144619919923 24980115 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=CC=CC=C3 1 2.672 3 4 0 -24.0260339293841 24980114 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)COC(=O)C(C)OC2=CC=C(C=C2)Cl)N 1 1.558 4 7 0 -13.4497224677252 24980113 CC1=CC(=C(C=C1)NC(=O)COC(=O)CN2C(=CSC2=O)C)[N+](=O)[O-] 1 1.24 3 6 0 -13.2798751070162 24980112 CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CCCC)N 1 3.33 6 4 0 -15.1159179138072 24980111 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC(=C(S2)Br)Br 1 2.604 2 5 0 -18.0809436202727 24980110 C1=CC(=C(C=C1Cl)C(F)(F)F)NC(=O)COC(=O)C2=NC=CN=C2 1 2.055 3 3 -9.94400078632375 24980109 CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)N(C)CC(=O)NC4=CC(=CC=C4)OC 1 3.853 2 4 3.43669089841877 24980108 CC1=CC=CC=C1SCC(=O)OCC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.839 4 5 0 -15.0439005394821 24980107 CC(C)CC1=NN=C(S1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)OC 1 2.161 4 3 0 -12.3426471795627 24980106 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=C(C=C2)N3CCOCC3)N4CCOCC4)C5=CC=CC=C5 1 1.412 5 5 0 -8.16524418238741 24980105 C1CS(=O)(=O)CC1NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F 1 1.662 1 5 0 -10.9874113645652 24980104 CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCCSC3=NC4=CC=CC=C4N3 1 3.853 6 3 0 -14.6516721046468 24980103 COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC3=C2C=CC=N3 1 2.237 3 3 -9.48949711260764 24980102 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CSC2=NC=NC3=C2C(=C(S3)C)C 1 2.196 5 3 0 -23.6498368148801 24980101 CCOC(=O)CC1=CSC(=N1)SCC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 2.503 5 5 0 -22.941959583204 24980100 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCC(=O)OCC(=O)C3=CC=C(C=C3)F 1 2.357 2 5 0 -17.3494474898004 24980099 CC1=CC=CC=C1OCCC(=O)N(CC2=CC=CO2)CC(=O)NC3=CC=CC=C3C(F)(F)F 1 4.157 2 4 -15.8984100836315 24980098 CN1C=CSC1=NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F 1 0.721 3 4 0 -24.659972895272 24980097 C1=CC=C(C=C1)CCNC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 2.937 2 5 0 -14.9686388191372 24980096 CC[C@H]1C2=C(C[C@@H]3N1C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=CC=C5N2 1 4.206 3 2 -7.46052459582364 24980095 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC)C3=CC=CC=C3)N 1 1.909 5 6 0 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0 -14.372333838539 24979938 CC(CCC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 3.213 5 3 0 -17.1203216525506 24979939 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CSC=C3 1 2.719 2 3 -22.7306668754643 24979940 CCC1=CC(=CC=C1)OCC(=O)NC2=CC=CC=C2N3CCCC3 1 4.015 2 2 -4.89408974526778 24979941 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O 1 2.232 2 6 0 -11.5741955978812 24979942 CC1CCCC(C1C)NC(=O)CCNC(=O)C2=CC=CC=C2OC 1 2.759 2 3 -18.5892334201122 24979943 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CSC4(N3C(=O)CC4)C 1 5.6e-002 3 6 0 -23.711385546544 24979944 CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NCCNC(=O)COC(=O)CSC2=C(C=CC(=C2)C)C 1 4.04 2 6 0 -14.6921638847241 24979945 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)N2CCCCCCC2 1 4.038 2 3 -18.8159633111947 24979946 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC(=C(S3)C)CC 1 2.873 4 5 0 -11.855661215497 24979947 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CSCC3=C(ON=C3C)C)C 1 4.21 2 5 0 -22.7018657013687 24979948 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24979982 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.6 2 7 0 -13.9163533509624 24979981 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)/C=C/C2=CC=C(O2)C 1 2.648 2 3 -8.57978891313665 24979980 CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC 1 2.118 4 5 0 -15.6664907136162 24979979 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.179 4 4 0 -15.8817722769901 24979978 CCC1=CC2=C(S1)N=C(N(C2=O)CCCOC)SCC(=O)NC3=C4C(=C(O3)C)C(=NNC4=O)C 1 1.781 5 5 0 -27.2462515745748 24979977 CC1=NC(=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 3.06 3 3 -19.7817705519888 24979976 CC12CCC(=O)N1C(CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Cl 1 0.797 3 4 0 -19.0981358530839 24979975 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)COC4=CC=C(C=C4)F 1 2.809 4 4 0 -14.1576923843925 24979974 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CSCC(=O)NC2=NOC(=C2)C 1 1.117 3 7 0 -28.8903665826348 24979973 CC1CCC(CC1)NC(=O)C2=CC3=C(S2)CCCC3 1 4.484 1 1 -12.7750321592666 24979972 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.525 2 4 0 -25.5860349058812 24979971 CC1=CC=C(O1)CN(C)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C 1 1.803 2 4 0 -13.4711173976307 24979970 CCN(C1=CC=CC=C1)C(=O)C(C)OC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 3.654 2 4 -17.3159525036528 24979969 CC1CCCCC1NC(=O)C(C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 2.762 3 4 0 -16.7274625217958 24979968 COC1=CC=CC=C1C(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 3.253 1 4 -10.1145843223452 24979967 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCCOC2=CC=CC=C2OC 1 1.997 2 6 0 -19.5569844432567 24979966 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F 1 2.731 3 3 -11.7672421082672 24979965 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC(=CC=C4)C(F)(F)F 1 4.059 4 3 0 -13.0528844337123 24979964 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)CC3=CC(=CC=C3)OC 1 2.898 3 4 0 -17.8887742426069 24979963 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CCNC(=O)C2=CC=CC=C2OC 1 2.028 3 5 0 -25.6101160050063 24979962 CC1=CC=C(C=C1)NC(=O)CSCC(=O)N(C)CC2=CC3=C(C=C2)OCCO3 1 2.552 2 4 -14.6410159399918 24979961 CN1C=CC=C1C(=O)N(C)CC(=O)NC2=CC=CC=C2Br 1 2.219 3 2 -10.2414223865987 24979960 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=CC(=C3)C(=O)NCCOC)C)C 1 2.065 2 4 -26.4711075286071 24979959 CC(C(=O)N1CCOCC1)OC(=O)CNC(=O)C2=CC=CC=C2OC 1 0.166 2 6 0 -20.7202513408687 24979934 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC3=C(C=C2)OCCO3)N 1 2.364 4 5 0 -14.512859341737 24979933 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.202 4 4 0 -21.0836338251945 24979932 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.067 3 4 0 -17.4897462204347 24979931 C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-] 1 1.938 5 5 0 -15.6617951140859 24979930 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)CSC2=CC=C(C=C2)F 1 2.391 2 4 -14.2446545464584 24979929 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C=CS2)C#N 1 2.392 2 3 -17.1917105938878 24979928 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC 1 1.628 3 4 0 -16.3901069142173 24979927 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)C2CC(=O)N(C2)CC3=CC=CO3 1 1.947 3 4 0 -17.6437460012686 24979926 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.434 3 4 0 -20.8921455628816 24979925 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCCCCCC2)OCC 1 2.798 2 4 -17.8353283453565 24979924 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CSCC2=C(ON=C2C)C 1 2.454 3 3 -24.6376035746746 24979923 C1=CC=C(C(=C1)C(=O)OCC(=O)NNC(=O)C2=CC=CS2)NCCO 1 0.801 3 5 0 -15.7915864414124 24979922 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)N3C=CC=C3)F 1 2.953 3 2 -7.9833029842086 24979921 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=CC=C2N3C=NN=N3)N 1 1.076 8 3 0 -22.7587594328595 24979920 C1=CC=C(C=C1)CCCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 2.835 5 3 0 -16.534079650926 24979919 CC1=C(OC2=C1C=CC=C2Cl)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCC4 1 4.979 2 3 -1.03167337916738 24979918 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C 1 1.017 3 5 0 -28.8418195687947 24979917 CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)COC2=CC=CC3=C2OC(C3)(C)C 1 3.591 2 4 -16.9506602576946 24979916 C1CCCN(CCC1)C(=O)CNC(=O)C2=CC=C(O2)Br 1 2.096 2 3 -12.7330210737979 24979915 CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 4.027 3 3 -14.3866895429889 24979914 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 0.73 4 5 0 -22.7802105100076 24979913 CCOC1=CC=CC=C1OCCC(=O)NNC(=O)CN2C(=CC(=N2)C)C 1 1.217 4 4 0 -19.320594258962 24979912 CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 1.28 3 5 0 -7.41223618746856 24979911 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CC3C4=CC=CC=C4C(=O)O3 1 2.182 4 5 0 -12.5484041725719 24979910 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CC3=COC4=CC(=C(C=C43)C)C 1 3.436 4 4 0 -7.19233072277901 24979909 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC(=O)NC3=C(C=CC=C3Cl)C(F)(F)F 1 3.113 3 4 0 -16.2628231857429 24979908 CCOC1=CC=CC=C1C(=O)NCC(=O)NNC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 0.896 4 6 0 -17.3403634463512 24979907 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC(=O)C2=CC=C(C=C2)OC(F)F 1 2.625 1 7 0 -17.2868896433749 24979906 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=NC=CS3)(C)C 1 1.317 4 3 0 -13.6520415432866 24979905 C1CN(CCN1C(=O)CCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4Br 1 1.791 4 4 0 -22.7513200993204 24979904 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C 1 4.181 2 4 -20.1447612799433 24979903 CC1=CC=CC=C1C(=O)OCC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.446 4 5 0 -12.7788325344993 24979902 CN(CC1=C(C=C(C=C1)OC)OC)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 2.255 3 4 0 -11.819428592418 24979901 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)CCC2CCCC2 1 2.632 2 5 0 -19.2867608059025 24979900 CC12CCC(=O)N1C(CS2)C(=O)NNC(=O)COC3=CC=C(C=C3)Br 1 0.759 3 4 0 -10.119135459403 24979899 C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CC=C4 1 2.995 2 5 0 -12.6816858347358 24979898 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.514 3 3 -18.2897455565522 24979897 C1COCCN1C(=O)C2=CC(=C(S2)Br)Br 1 2.201 1 2 -8.14276801381141 24979896 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC=C(O2)COC3=CC=CC=C3 1 3.68 2 4 -12.4361137987912 24979895 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=NOC(=C2)C 1 0.377 4 4 0 -21.3660947262883 24979894 CC1=CN=C(C=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 3.109 3 3 -11.1991520415744 24979893 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)F)N 1 5.489 6 3 0 -15.8271738006629 24979892 CCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CCOC2=CC=C(C=C2)C(C)(C)C 1 3.696 2 4 -16.2243428765268 24979891 CC1=CC=C(C=C1)OCCCC(=O)N(C)CC(=O)NC2=CC=CC=C2Cl 1 3.435 2 3 -12.3781739124352 24979890 CCC1(C(=O)N(C(=O)N1)CC(=O)N(C)CC(=O)NC2=CC(=CC=C2)OC)C3=CC=CC=C3 1 1.485 4 5 0 -14.1725897895776 24979889 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.985 4 4 0 -26.7634254262675 24979888 CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.384 4 4 0 -25.1126194464503 24979887 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C2=CC=CC=C2CC3=CC=CC=C3 1 5.183 2 2 -7.45585294984221 24979886 CC1=CC(=C(C=C1Br)C)SCC(=O)NCC(C2=CC=CS2)N3CCOCC3 1 4.437 2 2 -15.8378442169776 24979885 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CSCC2=C(ON=C2C)C 1 2.135 3 3 -23.3752933418724 24979884 CCN(CC(=O)NCC1=CC=CS1)C(=O)CCC(=O)C2=CC=C(C=C2)OCC 1 2.263 2 4 -22.4458124609313 24979883 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 2.84 4 3 0 -18.9095037835915 24979882 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC 1 2.16 2 6 0 -29.1794270192256 24979881 COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])OC 1 3.386 3 5 0 -13.9713904718824 24979880 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC=C(C=C2)N3CCCC3=O)N 1 1.908 5 4 0 -19.6847019823142 24979879 CC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 1.63 6 5 0 -16.7082350805181 24979878 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)NNC(=O)C2=CC=NC=C2 1 2.204 3 3 -7.50869083780751 24979877 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCCOC2=CC=CC(=C2)C 1 3.308 4 6 0 -16.4688705966827 24979876 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=CC(=CC=C2)N3C=CC=C3 1 3.421 3 2 -8.20889560400836 24979875 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.319 3 6 0 -23.2996985489716 24979874 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.018 3 5 0 -23.9423983241321 24979873 COC1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)OC)S(=O)(=O)NC3CCCC3 1 2.902 2 5 0 -18.4731227575532 24979872 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C(C)OC4=CC(=CC=C4)Cl 1 2.871 4 5 0 -20.3667369180085 24979871 COC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.956 2 7 0 -16.5384311106471 24979870 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N(C)C)F 1 3.256 3 4 0 -10.082197151644 24979869 CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CC2CCCCC2 1 3.392 2 3 -13.5020929287093 24979868 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(=CC2)C3=CC=CC=C3)C 1 4.491 1 2 -7.16554022181981 24979867 COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NN=CO3)S(=O)(=O)N4CCOCC4 1 1.349 3 7 0 -21.7306913859373 24979866 CCC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 2.389 4 5 0 -15.1951102989642 24979865 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=CC=CC=C3F)C 1 1.591 3 3 0 -13.8178257220043 24979864 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 2.882 3 4 0 -24.0063615860959 24979863 CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O)OC 1 2.654 2 6 0 -12.9415400264378 24979862 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3)OCC 1 2.285 4 6 0 -20.5438903392896 24979861 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCOCC4 1 3.434 3 5 0 -16.8288148391637 24979860 CCC1=NOC(=C1C(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC(=C(C=C3)C)C)C 1 4.477 2 5 0 -19.3425066366636 24979859 C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 0.977 3 5 0 -27.2034848746423 24979858 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CC2=CC3=C(CCC3)C=C2 1 3.732 2 2 -13.5316297004564 24979857 CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 1.795 3 5 0 -15.9124589747894 24979856 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3(CCCCC3)N4CCCCC4 1 4.782 3 3 -10.7620226804295 24979855 C1CN(CCC1C(=O)OC2CCOC2=O)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 2.326 1 6 0 -12.645968449281 24979854 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3(CCCCC3)N(C)C)F 1 4.07 3 3 -10.2073433312449 24979853 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N5CCCC5=N4)C)C 1 3.233 4 4 0 -22.0310672684176 24979852 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CCCC2=CNC3=CC=CC=C32 1 3.887 3 2 -18.4937853990267 24979851 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4OCC 1 1.619 3 6 0 -20.8322177246436 24979850 CSCCC(C(=O)N1CCN(CC1)C2=CC=CC=C2Cl)NC(=O)COC3=CC=CC=C3 1 3.244 3 3 -13.7442018327165 24979849 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCC(C4)C(F)(F)F 1 4.305 2 2 -4.45893756783635 24979848 CN(C1=CC=C(C=C1)OCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.954 3 6 0 -13.0820958037311 24979847 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 3.715 3 5 0 -8.76605896093814 24979846 C1=CC(=CC(=C1)F)/C=C/C(=O)NNC(=O)C2=CC=NC=C2 1 1.394 3 2 0 -3.83126126855861 24979845 C1CCCN(CCC1)C(=O)CCNC(=O)C2=CC=C(C=C2)Cl 1 3.046 2 2 -11.2731102417305 24979844 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC(C3)C(F)(F)F 1 3.605 2 3 -6.33189451932358 24979843 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2CSC3(N2C(=O)CC3)C)N 1 0.883 5 4 0 -12.8191335773707 24979842 CC1=C(C=C(C=C1)CC(=O)N(C)CC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC(C)C)N)C 1 2.326 5 4 0 -12.0740024728648 24979841 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3CC(=O)N(C3)C4=C(C=C(C=C4)OC)OC 1 1.253 3 7 0 -19.6998421741723 24979840 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 4.458 4 3 0 1.06324525316385 24979839 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCCC3 1 3.605 3 4 0 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CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC3=C(C=C2)OCCO3 1 2.425 2 4 -14.81947681965 24979827 C1=CC=C(C=C1)CCCNC(=O)COC(=O)CSC2=CC=C(C=C2)F 1 3.705 1 3 -13.3783445477494 24979826 CC1CCCCC1NC(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.201 2 5 0 -24.0183370151849 24979825 CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)OC)C 1 4.343 3 3 -9.81909974500754 24979824 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCOC3=CC=CC=C3 1 3.164 2 4 -12.4008392226671 24979823 CC1CCC(CC1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2 1 2.854 2 3 -21.7468583192921 24979822 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)/C=C/C3=CC=C(C=C3)OC(F)F 1 3.445 2 5 0 -4.50386574967125 24979821 CC1CCCCC1NC(=O)C(C)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.291 2 5 0 -15.6109207094518 24979820 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCCC4 1 4.663 3 4 0 -17.4312709991975 24979819 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC 1 2.805 3 4 0 -17.7103001591636 24979818 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 1.623 2 5 0 -21.6123698311356 24979817 CC1CCCCC1NC(=O)C(C)SC2=NN=C(N2N)C 1 1.767 5 1 0 -17.6162655430182 24979816 CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC=CC=C2NCCO 1 2.676 2 4 -14.5233176831722 24979815 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3Cl)F 1 2.695 3 3 -13.9225584014154 24979814 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 3.89 0 6 -17.6221636444118 24979813 CN(CC(=O)NNC(=O)CNC(=O)C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.228 4 5 0 -16.2545619693193 24979812 CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSCC(=O)NC3=NOC(=C3)C 1 2.318 4 3 0 -15.0319336483003 24979811 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 2.524 2 5 0 -20.4579089602079 24979810 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CSCC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2 1 2.454 4 4 0 -18.5551870259187 24979809 CC1=CSC(=O)N1CC(=O)OCC2=NN=C(O2)C3=CC=CC=C3 1 1.298 3 4 0 -10.2263124622509 24979808 CC1=CN=C(C=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.366 3 2 -7.4209297552127 24979807 CCOC1=CC=CC=C1OCCC(=O)OCC(=O)NC2=C(C=C(C=C2C)C)C 1 4.196 1 5 -13.4985302809631 24979806 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 1.068 2 5 0 -20.209500299408 24979805 C1CN(CCN1C2=CC=CC=C2O)C(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4 1 4.033 3 3 -4.5319621443256 24979804 CC(CC(=O)NNC(=O)C(C)OC1=CC=CC=C1F)C2=CC=CC=C2 1 3.139 2 3 -9.59519148006529 24979803 CC1=C(C=C(C=C1)NCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C)S(=O)(=O)N3CCCCCC3 1 2.368 4 5 0 -23.9272783315643 24979802 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.802 3 5 0 -17.9473588336467 24979801 CC1CCCCC1NC(=O)C(C)OC(=O)/C=C/C2=CC(=CC=C2)Cl 1 4.539 1 3 -9.06685618064454 24979800 COC(=O)CC1=CC=C(C=C1)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.442 0 6 -15.2696429822072 24979799 CC1CCCCC1NC(=O)C(C)OC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 1.328 5 5 0 -27.5901728238701 24979798 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.674 3 4 0 -25.8623695486158 24979797 CN(C1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.775 2 6 0 -14.096844618607 24979796 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.919 3 6 0 -23.2101914149796 24979795 COC1=CC(=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4)OC 1 2.792 2 8 0 -21.9331483696953 24979794 CC1=CC=CC(=C1C)C(=O)NNC(=O)C2=CSC(=N2)N3CCOCC3 1 1.499 4 3 0 -6.74074554695597 24979793 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCCOC2=CC=C(C=C2)OCC 1 3.154 4 7 0 -18.5233756101346 24979792 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC(=CC=C3)Br 1 1.828 3 4 0 -20.7641284631153 24979791 CC1=CC=C(C=C1)CSCC(=O)N(CCCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 2.071 4 4 0 -14.3432718385759 24979790 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=N3)C 1 3.531 3 3 -12.3843555180892 24979789 CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)C3=CC=CC=C3 1 3.26 3 4 0 -10.4102665855241 24979788 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)/C=C/C3=CC(=CC=C3)Br 1 3.231 2 4 -10.7429752232928 24979787 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)/C=C/C3=C(C(=CC=C3)OC)OC 1 2.45 2 6 0 -13.9360522240037 24979786 CN(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N3CCCC3=O)S(=O)(=O)C4=CC=CC=C4 1 3.537 2 5 0 -22.4597955296021 24979785 CSC1=CC=CC=C1C(=O)N(CC2CCCO2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 2.153 4 4 0 -16.7817415341819 24979784 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4 1 3.678 2 5 0 -20.3044670128612 24979783 CC1=C(C=CO1)C2=NN=C(N2CC=C)SC(C)C(=O)NC3CC3 1 2.308 4 2 -15.6368908791305 24979782 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC=C(C=C2)C3SCCS3 1 3.821 2 2 -14.2264252953368 24979781 CCOC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OCC(=O)N3CCOCC3 1 2.432 2 8 0 -19.1263303248191 24979780 CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C=CC(=N2)Cl)Cl 1 4.573 1 4 -8.54047837749106 24979779 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.398 3 8 0 -22.4808626056858 24979778 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=CO3)C 1 2.726 3 5 0 -10.614733781217 24979777 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 2.993 2 5 0 -14.0944760714858 24979776 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F 1 4.202 3 3 -6.9187148226608 24979775 COC1=CC=CC=C1C(=O)NCCC(=O)NNC(=O)CN2C=CC(=N2)C(F)(F)F 1 1.035 5 4 0 -19.4259341309318 24979774 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=NC4=CC=CC=C43)Cl 1 3.641 5 3 0 -10.4389889208567 24979773 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OC(C)C(=O)C2=CC=CC=C2 1 2.929 4 6 0 -18.0771391579163 24979772 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)/C=C/C2=NC3=CC=CC=C3C=C2 1 3.722 3 2 -7.09001910968623 24979771 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)C2=CN=C(C=N2)C 1 0.913 4 6 0 -26.0041448046337 24979770 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4)(C)C 1 2.337 4 6 0 -24.9698089540756 24979769 C1=CC(=NC(=C1Cl)C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl)Cl 1 3.854 3 3 -8.0824011654511 24979768 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OC(C)C(=O)C2=CC=C(C=C2)Cl 1 3.594 4 6 0 -15.4594928998201 24979767 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=C(C=CC(=N3)Cl)Cl 1 1.645 5 6 0 -14.5619392039035 24979766 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CC2=CSC(=N2)C3=CC=CC=C3 1 3.484 3 2 -10.8804579380082 24979765 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3Cl)OCC 1 4.716 3 4 0 -17.8405888260105 24979764 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)N(CC3=CC=CC=C3)C(C)C 1 4.325 1 5 -0.865197984629308 24979763 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)SC 1 2.368 5 6 0 -18.4262308499673 24979762 CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC 1 1.815 4 4 0 -16.0507310430051 24979761 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)CN2C(=O)C3CCCCC3C2=O 1 1.753 3 4 0 -16.7474324672987 24979760 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CSCC2=C(ON=C2C)C 1 1.922 3 3 0 -23.8404223134219 24979759 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F 1 1.309 4 5 0 -18.0965950034097 24979758 CC(C(=O)N1CCOCC1)SC2=NN=C(N2C)C3=CN=CC=C3 1 0.695 5 2 0 -12.2080180869075 24979757 CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.435 3 6 0 -17.5873856975092 24979756 COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC 1 1.275 6 6 0 -15.6794052203539 24979755 CCC1=CC=CC=C1OC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.795 3 3 -13.7474085974108 24979754 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C 1 4.291 2 3 -1.08044311873607 24979753 CCOC1=CC=CC=C1C(=O)NCC(=O)OCCCOC(=O)CNC(=O)C2=CC=CC=C2OCC 1 2.036 2 8 0 -13.2616523386827 24979752 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 2.832 3 6 0 -21.6134783197287 24979751 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 1.74 3 5 0 -22.1074933945266 24979750 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=CS3)N4CCOCC4 1 3.503 3 4 0 -21.2422991790766 24979749 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3C)C)C 1 4.094 2 4 -18.633048779559 24979748 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.154 2 6 0 -7.16553534327507 24979747 CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C 1 3.09 2 5 0 -16.9923385467336 24979746 C1=CC=C(C(=C1)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)F 1 1.518 3 3 0 -13.6844167035707 24979745 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC=C(C=C3)C(F)(F)F 1 2.795 3 3 -15.5365685984652 24979744 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC3=C(C=C2)N4CCCCCC4=NS3(=O)=O 1 2.716 4 4 0 -17.0470002270227 24979743 CC(C(=O)NCC1CCCO1)SC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2CCOC 1 3.518 3 4 0 -19.684304534143 24979742 CCC1=CC=CC(=C1NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C 1 3.339 2 5 0 -22.6833589793707 24979741 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=C(C=CS4)C 1 2.327 4 4 0 -19.7908759193588 24979740 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 2.037 4 3 0 -17.1273699421001 24979739 CCOC1=CC=C(C=C1)OCC(=O)N(CCC2=CCCCC2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 3.748 4 5 0 -10.5812479414722 24979738 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CCOC3=CC=CC=C3OCC 1 2.515 4 5 0 -17.4720600675547 24979737 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(C)CC(=O)NC3=C(C(=C(C=C3)F)F)F 1 3.707 3 3 -10.3332608239159 24979736 CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C43)OC 1 2.672 2 6 0 -25.8526013118459 24979735 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCCOC2=CC(=CC=C2)Cl 1 3.486 4 6 0 -16.2068079677518 24979734 CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3 1 3.594 3 4 0 -13.1890983935638 24979733 C1CCC2=C(C1)C=C(S2)C(=O)N3CCC(CC3)C(=O)N 1 2.054 2 2 -8.99690286776822 24979732 C1CN(CCN1C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4Br 1 2.013 6 5 0 -24.0310777677844 24979731 CC[C@H](C)[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCOCC2)NC(=O)OCC3=CC=CC=C3 1 3.577 3 6 0 -19.0821493618418 24979730 C1CN2C(=C3C=CC(=CC3=[N+]2[O-])C(F)(F)F)C(=N1)C4=CC(=C(C(=C4)Cl)N)Cl 1 4.271 4 1 4.70037773694047 24979729 C1=CC2=C(N([N+](=C2C=C1C(F)(F)F)[O-])CCCC(=O)N)C(=O)C3=CC(=C(C(=C3)Cl)N)Cl 1 3.616 4 3 0 -1.63602752775278 24979728 COC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCCC(=O)N)[O-])[N+](=O)[O-] 1 1.969 4 6 0 -6.88661221932276 24979726 C1=CC(=CC=C1C(=O)C2=C3C=CC(=CC3=[N+](N2CCC[NH3+])[O-])[N+](=O)[O-])Cl.[Cl-] Cl- 1 1.455 4 4 0 -1.00981941648903 24979725 CC1=CC=C(C=C1)CNC(=O)CCN2C=C(N=C2CCN)C3=CC=C(C=C3)OC 1 2.778 4 2 -10.4199759794325 24979724 COC1=CC=C(C=C1)C(=O)C2=C3C=CC=CC3=[N+](N2CCC(=O)N)[O-] 1 1.754 3 4 0 -3.7905004112552 24979723 CC1=CC=C(C=C1)C2=NCCN3C2=C4C=CC(=CC4=N3)[N+](=O)[O-] 1 3.972 4 2 0.867268119055138 24979722 C1CN2C(=C3C=CC(=CC3=[N+]2[O-])C(F)(F)F)C(=N1)C4=CC=C(C=C4)Cl 1 4.354 3 1 7.35302986785143 24979721 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.355 1 5 -12.0933740773428 24979720 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3Br 1 2.944 2 2 -15.9305649531945 24979719 COC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCCC(=O)N)[O-])OC 1 2.058 3 5 0 -5.69457091286211 24979718 C1=CC2=C(N([N+](=C2C=C1[N+](=O)[O-])[O-])CCCC(=O)N)C(=O)C3=CC(=C(C(=C3)Cl)N)Cl 1 2.568 5 5 0 -6.53362636061363 24979717 CC1=CC=C(C=C1)C2=NCCN3C2=C4C=CC(=CC4=[N+]3[O-])C(F)(F)F 1 4.175 3 1 5.53103117726461 24979715 COC1=CC=C(C=C1)C(=O)C2=C3C=CC=CC3=[N+](N2CCC[NH3+])[O-].C(=O)(C(F)(F)F)[O-] OC(=O)C(F)(F)F 1 0.88 3 3 0 -1.89019233203545 24979714 C1CN2C(=C3C=CC(=CC3=[N+]2[O-])[N+](=O)[O-])C(=N1)C4=CC(=C(C(=C4)Cl)N)Cl 1 3.224 5 3 0 -0.608671158834095 24979713 COC1=CC2=[N+](N(C(=C2C=C1)C(=O)C3=CC=C(C=C3)Cl)CCCC(=O)N)[O-] 1 2.739 3 4 0 -3.24394540295301 24979712 C1=CC(=CC=C1C(=O)C2=C3C=CC(=CC3=[N+](N2CCCC(=O)N)[O-])[N+](=O)[O-])Cl 1 2.65 4 5 0 -4.6516473195918 24979711 C1CN2C(=C3C=CC(=CC3=N2)C(F)(F)F)C(=N1)C4=CC(=C(C(=C4)Cl)N)Cl 1 5.116 4 0 5.31596936132339 24979709 CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCC[NH3+])[O-])C(F)(F)F.C(=O)(C(F)(F)F)[O-] OC(=O)C(F)(F)F 1 2.325 3 2 2.065780725785 24979708 C1=CC(=CC=C1C(=O)C2=C3C=CC(=CC3=[N+](N2CCCC(=O)N)[O-])C(F)(F)F)Cl 1 3.698 3 3 0.245951513269046 24979707 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSCC2=CC(=C(C=C2)Cl)Cl)N 1 2.596 4 4 0 -12.5578212301431 24979706 C1CC2=NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)Br)Cl)C(=O)N2C1 1 3.488 3 2 -10.0986806149787 24979705 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 2.249 3 4 0 -24.8960332699522 24979704 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CCOC2=CC=CC=C2C 1 3.741 2 3 -16.0332856068691 24979703 CC1=CC=C(C=C1)OCCC(=O)OC(C)C(=O)NC2CC2 1 2.288 1 4 -11.6816072513734 24979702 COC1=CC(=C(C=C1)NC(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32)OC 1 2.584 2 4 -14.734616233816 24979701 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CSCC(=O)NC2=CC=C(C=C2)C)N 1 2.266 5 4 0 -16.059068284598 24979700 CC1CC(CN(C1)C(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C 1 1.705 3 7 0 -20.3872084982337 24979699 CC(C(=O)N(C)CC(=O)NC1=CC=C(C=C1)OC)OC2=CC=C(C=C2)Br 1 2.931 2 4 -7.80816161887188 24979698 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 1.546 4 3 0 -14.226694807231 24979697 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N(C)CC(=O)NC3=CC(=CC=C3)F 1 1.749 5 4 0 -18.7032917931747 24979696 CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3CCCO3)C4=CC=CC=C4Cl 1 4.72 3 2 -7.27470009593315 24979639 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CCCC2=NC(=O)C3=CC=CC=C3N2 1 1.02 5 4 0 -23.4883990413517 24979640 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)N 1 1.384 5 6 0 -14.6323851521526 24979641 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=CC=C4 1 2.066 4 5 0 -21.962777913205 24979642 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCSC3=CC=C(C=C3)F 1 1.676 4 6 0 -11.0274615740865 24979643 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)OC(=O)C2=CC=CC=C2NCCO 1 1.827 3 5 0 -11.1385161303105 24979644 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 1.195 3 9 0 -22.7621438692294 24979645 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CSC2=NC3=CC=CC=C3S2 1 2.368 4 3 0 -20.3162544251459 24979646 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4)OCC 1 4.963 4 4 0 -11.9551959622185 24979647 CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)NCC4CCCO4 1 4.04 3 3 -9.91630743643186e-002 24979648 CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C 1 1.798 5 3 0 -23.0582841355157 24979649 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.336 2 6 0 -20.5815406714816 24979650 C1CCCC(CCC1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC(F)F 1 4.789 1 4 -6.42685681136913 24979651 CC1=CC=C(C=C1)SCC(=O)OC(C)C(=O)NC2(CCCCC2)C#N 1 3.767 2 3 -9.86387444903027 24979652 C1CC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=CC=C4F)C(=O)N2C1 1 2.928 2 3 -12.8256900130305 24979653 CC1=CSC(=O)N1CCC(=O)OCC(=O)C2=CC=C(C=C2)Br 1 2.475 1 4 -14.6366840248725 24979654 C1CCCC(CCC1)NC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 3.803 2 5 0 -13.8124225563257 24979655 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CN2C3=CC=CC=C3OC2=O 1 2.39 3 4 0 -12.1394401126337 24979656 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 2.203 5 5 0 -22.9159254140792 24979657 C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NNC(=O)COC3=CC=CC=C3F 1 1.561 3 5 0 -18.9227114124221 24979658 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC=C(S2)[N+](=O)[O-])N 1 2.299 5 5 0 -6.63317499880721 24979659 C1CN(CCC1C(=O)NC2=NC3=C(C=C(C=C3S2)F)F)C(=O)C4=CC=C(C=C4)F 1 3.742 3 2 -0.588617760341658 24979660 CC(C)(C)NC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC3=C(CCCC3)C=C2 1 2.188 4 4 0 -26.9098075718105 24979661 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C(C=C(C=C3)C=O)OC 1 2.886 2 6 0 -20.7441794863332 24979662 COC1=C(C=C(C=C1)CC(=O)OC2=CC(=C(C=C2)F)F)S(=O)(=O)N3CCOCC3 1 2.496 1 6 0 -19.1443415426793 24979695 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=NC3=CC=CC=C32)Cl)N 1 1.927 5 4 0 -10.5147883781414 24979694 C1CN(CCC1C(=O)N)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 1 1.741 5 2 0 1.11105914488576 24979693 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC3CCCO3 1 2.217 2 5 0 -14.7342592940524 24979692 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CCS(=O)(=O)C2=CC=C(C=C2)C 1 3.283 2 4 -22.2608710721716 24979691 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3OC 1 2.575 4 4 0 -19.4935248299584 24979690 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)COC3=CC=CC=C3 1 2.178 3 6 0 -12.9614784150419 24979689 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 2.837 3 5 0 -11.4796743991863 24979688 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)N 1 2.224 5 5 0 -24.3340651348153 24979687 C1CN(CCN1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])S(=O)(=O)C3=CC=C(S3)Cl 1 1.221 4 5 0 -12.8757361454786 24979686 CCC1(C(=O)N(C(=O)N1)CC(=O)N(CC2=CC=CO2)CC(=O)NC3=CC=CC=C3C(F)(F)F)C4=CC=CC=C4 1 3.209 4 5 0 -17.3796717901281 24979685 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)/C=C/C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 3.795 5 5 0 -15.0616304355368 24979684 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=C(C=C(C=C3)Br)F 1 3.308 3 3 -7.86016481525844 24979683 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)C4=CC(=C(C=C4)F)F 1 2.925 2 3 -3.39959095223459 24979682 COC1=C(C=C(C=C1)S(=O)(=O)NNC(=O)C2COC3=CC=CC=C3O2)[N+](=O)[O-] 1 1.225 3 8 0 -11.6671180643798 24979681 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)F 1 3.911 3 3 -3.68729772990719 24979680 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)C(=O)C 1 3.167 2 5 0 -24.2160495087 24979679 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)F)C 1 4.851 5 1 6.21666040925516 24979678 CCOC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)NCC3=CN=CC=C3)OC 1 2.407 3 5 0 -19.4619540916141 24979677 CC1CCC(CC1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3 1 4.188 1 3 -10.1566722167014 24979676 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4O)[N+](=O)[O-] 1 3.499 4 6 0 -5.05605133489069 24979675 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OC2=CC=C(C=C2)C3=NN=CO3 1 2.016 3 5 0 -7.26259903265135 24979674 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=C(C=CC(=C3)OC)OC 1 2.322 3 5 0 -12.1636488364039 24979673 C1CC2=NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)Br)Br)C(=O)N2C1 1 3.572 3 2 -12.0332219127382 24979672 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=NOC(=C2)C)OCC 1 1.573 3 5 0 -21.9824056593222 24979671 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=CC(=C3)C#N 1 2.215 3 4 0 -23.0775261250419 24979670 COC1=CC=CC=C1CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 3.579 2 4 -24.3506523139796 24979669 COC1=C/C(=C/NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)/C=CC1=O 1 0.272 3 5 0 -17.1417798311437 24979668 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OCC(=O)N(C)C 1 1.843 4 6 0 -28.7234600245019 24979667 COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 2.541 3 5 0 -20.5893723392224 24979666 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC(=CC=C2)N3C=CC=C3 1 2.74 3 3 -8.52513185805386 24979665 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.037 3 3 -10.3112080139036 24979664 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)N(C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 1.506 5 6 0 -13.3598159395893 24979663 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NNC(=O)C4=CC=C(C=C4)Cl)C 1 3.623 5 2 0 -2.28468860990314 24979638 CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCN(CC3)C)OC4=CC=C(C=C4)F 1 2.063 4 5 0 -18.5649682864513 24979637 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N(C)C 1 2.897 3 5 0 -10.3853204406441 24979636 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=O)C4=CSC(=N4)N5CCOCC5)OC 1 2.627 5 5 0 -12.101133280295 24979635 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=CC(=CC=C2)F 1 2.978 4 5 0 -14.8149095896071 24979634 CC1(CCS(=O)(=O)C1)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4 1 3.169 3 3 -7.16139219794744 24979633 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN(C)C(=O)CC2=CC=C(C=C2)Cl)N 1 2.018 5 4 0 -11.0544842595644 24979632 COC1=C(C=C(C=C1)CC(=O)OC2=C(C=C(C=C2)Cl)Br)S(=O)(=O)N3CCOCC3 1 3.497 1 6 0 -15.5245110252029 24979631 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC(CC(C2)C)C 1 2.143 2 4 -14.8049930998086 24979630 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=CC=C2)N3C=CC=C3)N 1 3.203 5 3 0 -9.85496141109029 24979629 C1COCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 2.083 2 4 -9.3144006693585 24979628 CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C 1 3.736 2 4 -17.1824879379207 24979627 C1CCC(=CC1)CCN(C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C(=O)C4=CC=C(O4)[N+](=O)[O-] 1 2.994 5 6 0 -8.65126120067222 24979626 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 0.565 3 6 0 -23.9600096101534 24979625 CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NC=CN2C 1 4.7e-002 5 3 0 -12.1725810367221 24979623 COC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCC[NH3+])[O-])[N+](=O)[O-].[Cl-] Cl- 1 0.774 4 5 0 -3.24478431621999 24979622 CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCCC(=O)N)[O-])[N+](=O)[O-] 1 2.472 4 5 0 -6.47364601017862 24979621 C1CN2C(=C3C=CC(=CC3=N2)C(F)(F)F)C(=N1)C4=CC=C(C=C4)Cl 1 5.198 3 0 7.96862149223434 24979620 CC1=CC=C(C=C1)C2=NCCN3C2=C4C=CC=CC4=[N+]3[O-] 1 3.233 3 1 1.9880243285883 24979618 C1=CC2=C(N([N+](=C2C=C1)[O-])CCC[NH3+])C(=O)C3=CC(=C(C(=C3)Cl)N)Cl.[Cl-] Cl- 1 1.479 4 2 0 -1.39736856910468 24979617 COC1=CC=C(C=C1)C2=NCCN3C2=C4C=CC(=CC4=[N+]3[O-])C(F)(F)F 1 3.673 3 2 5.11806496812047 24979616 COC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCCC(=O)N)[O-])C(F)(F)F 1 3.017 3 4 0 -1.98901338646191 24979615 COC1=CC=C(C=C1)C2=NCCN3C2=C4C=CC(=CC4=N3)[N+](=O)[O-] 1 3.469 4 3 0 0.454301909910998 24979614 C1CN2C(=C3C=CC=CC3=N2)C(=N1)C4=CC(=C(C(=C4)Cl)N)Cl 1 4.173 4 0 1.2594639672789 24979613 C1CN2C(=C3C=CC=CC3=[N+]2[O-])C(=N1)C4=CC(=C(C(=C4)Cl)N)Cl 1 3.329 4 1 1.2972087924858 24979611 C1=CC2=C(N([N+](=C2C=C1[N+](=O)[O-])[O-])CCC[NH3+])C(=O)C3=CC(=C(C(=C3)Cl)N)Cl.C(=O)(C(F)(F)F)[O-] OC(=O)C(F)(F)F 1 1.373 5 4 0 -2.89179845751086 24979610 CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCCC(=O)N)[O-])C(F)(F)F 1 3.52 3 3 -1.57604717731777 24979609 CC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2CCCCCCC2 1 4.395 1 3 -11.7180247689685 24979608 CC1=CC=C(C=C1)C(=O)C2=C3C=CC=CC3=[N+](N2[C@@H](C)C(=O)N)[O-] 1 2.492 3 3 -1.90199910008692 24979607 CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=NN2CCC(=O)N)C(F)(F)F 1 4.043 3 2 -2.40576554314838 24979606 CC1=CC=C(C=C1)C(=O)C2=C3C=CC=CC3=[N+](N2CCO)[O-] 1 2.615 2 3 -0.286059534956091 24979605 CCOC(=O)C1=C2C=CC=CC2=[N+](N1CCO)[O-] 1 0.928 2 4 0 -1.67532482836516 24979604 CC1=CC=C(C=C1)CNC(=O)CCN2C=C(N=C2CCN)C3=CC=C(C=C3)C 1 3.281 4 1 -10.8333287125059 24979603 CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.651 3 6 0 -15.074464315636 24979602 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 2.483 4 4 0 -16.5054917084915 24979601 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 0.982 3 8 0 -21.9166958796815 24979600 CC(=O)N1CCN(CC1)C(=O)CCNC(=O)C2=CC=CC=C2OC 1 -0.248 3 4 0 -16.4782046424119 24979599 CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C 1 1.554 3 7 0 -27.2337324408333 24979598 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-] 1 3.479 5 5 0 -17.3001330292372 24979597 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)/C=C/C4=CC=C(C=C4)C 1 2.841 4 4 0 -17.1639179633297 24979596 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.955 2 6 0 -21.4123300091365 24979595 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)N(C)CCC3=CC(=C(C=C3)OC)OC 1 4.131 2 6 0 -16.3901252874569 24979594 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NCC3=CC=CC=C3 1 1.619 2 6 0 -29.9002673970588 24979593 CC1=C(SC=C1)C(=O)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3 1 2.53 4 2 -5.85734842145428 24979592 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.527 3 3 -18.3290833610339 24979591 COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3 1 2.565 3 4 0 -7.3319285100008 24979590 C1=CC=NC(=C1)CNC(=O)CNC(=O)C2=CC=C(C=C2)OC(F)F 1 1.551 3 3 0 -13.3736465610053 24979589 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3C=C2 1 3.007 3 5 0 -12.3933761806415 24979588 CC1=C(C(=NN1CC(=O)N(C)C2CCS(=O)(=O)C2)C)[N+](=O)[O-] 1 -0.425 4 5 0 -19.6888000906465 24979587 CC(=O)NC(CC(=O)NNC(=O)C1=CC=CS1)C2=CC=CC=C2 1 1.08 3 3 0 -15.7606449125636 24979586 COC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)OCC(=O)N4CCOCC4 1 2.327 3 6 0 -13.8255887819143 24979585 C1CCC(C1)CCC(=O)NNC(=O)C2=CC=CC=C2O 1 2.337 2 3 -9.11555378776386 24979584 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC=CC=C3NCCO 1 0.88 3 7 0 -26.9963106449546 24979583 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CSC2=CC=C(C=C2)F 1 3.239 2 2 -13.2186218755433 24979582 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2N3CCCC3 1 3.177 3 2 -7.81412770350635 24979581 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=C(S4)Cl 1 2.3 4 4 0 -13.0939180908958 24979580 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)C(=O)C)C 1 2.945 2 5 0 -19.9355935254477 24979579 C1CC(=O)N(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 1.285 3 4 0 -29.5642478488754 24979578 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3 1 2.566 2 6 0 -24.1077883390921 24979577 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCC4 1 4.053 3 5 0 -16.9073930383562 24979576 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] 1 2.384 4 5 0 -11.6110194827521 24979575 C1COCCN1CCCNC(=O)C2=CC3=CC=CC=C3C=C2 1 1.835 2 2 0 -6.68717540092118 24979574 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=C(C=C4)C 1 2.565 4 6 0 -22.6416910016666 24979573 CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CN4CCCC4 1 3.637 5 1 -17.0348461305887 24979572 CC1=CC(=C(C=C1)NC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3)O 1 1.681 2 6 0 -17.1086359040982 24979571 CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3 1 2.697 2 6 0 -22.7205483840125 24979570 CC(C)(C)C(=O)NC1=CC(=C(C=C1)N2CCCC2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 3.591 3 4 0 -10.5566641953468 24979569 C1CN(CCN1C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC(=CC=C4)Cl 1 1.41 3 6 0 -23.4453744931459 24979568 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC(=CC=C4)F 1 3.322 4 3 0 -15.3801817498937 24979567 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=O)CC2C3=CC=CC=C3C(=O)O2 1 3.124 2 5 0 -10.4478654991138 24979566 CN(CC1=CC=CC=C1F)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 4.132 2 2 -8.9150896750252 24979565 CCC1=CC=C(C=C1)OCC(=O)NNC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 1.566 3 6 0 -19.0710479665976 24979564 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C)N 1 2.799 5 5 0 -14.0581205114811 24979563 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2C(=O)C3(CC(CC(C3)(C)C)C)NC2=O)N 1 1.895 6 5 0 -15.467082038043 24979562 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 3.346 3 3 -5.88762397377203 24979561 COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NCCN3C(=O)/C(=C/C4=CN=CC=C4)/SC3=O)OC 1 1.093 4 6 0 -16.7318880798972 24979560 CCOC1=C(C=CC=N1)C(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 1.866 4 5 0 -13.6525023887161 24979559 CC1=CC=C(C=C1)NC(=O)CSCC(=O)N(CC2=CC=CC=C2)C3=C(N(C(=O)NC3=O)CCOC)N 1 1.061 5 5 0 -15.8767577950634 24979558 CC1=CC(=C(C=C1)OCC(=O)N(C)CC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC(C)C)N)C 1 2.126 5 5 0 -13.8300827562044 24979557 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CN=C(C=C2)Cl)OCC 1 3.037 2 5 0 -19.8336358711117 24979556 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC(=O)NC3=C(C(=C(C=C3)F)F)F 1 2.031 3 4 0 -18.3428235065068 24979555 C1CC2=NC3=C(C=CC(=C3)C(=O)NNC(=O)C4=CC(=CC=C4)Cl)C(=O)N2C1 1 1.996 4 3 0 -9.33764984422636 24979554 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=NC=C2)OCC3=CC=C(C=C3)F 1 2.493 3 3 -6.54094193828723 24979553 CN(C)C1(CCCCC1)CNC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3 1 3.024 3 4 0 -18.2035113077353 24979552 CC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)C2=C(C=C(C=C2C)C)C 1 3.945 1 4 -17.3675058312164 24979551 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCCCSC2=CC=CC=C2 1 2.634 2 4 -18.4621485187459 24979550 COC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.203 3 5 0 -17.7960585041957 24979549 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3F 1 2.422 3 4 0 -13.3611492435929 24979548 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3 1 3.701 2 4 -8.29869431089067 24979547 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)OCC 1 1.236 5 7 0 -30.7388823769693 24979546 CCC(CC)C1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC 1 2.958 4 4 0 -18.6800612104819 24979545 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)/C=C/C4=CC(=C(C=C4)OC)OC 1 2.322 4 6 0 -21.5844138710826 24979544 C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=CS3)N4CCOCC4 1 3.633 3 4 0 -27.393995924521 24979491 CC1=CC=C(C=C1)OCC(=O)NNC(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C 1 3.28 5 3 0 -6.3520537853428 24979492 CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)C(=O)C 1 0.521 3 4 0 -22.382904935931 24979493 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 3.487 2 5 0 -6.09751110004264 24979494 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C(=C/C3=CC=CC=C3)/NC(=O)C 1 1.444 5 6 0 -16.0495538311168 24979495 COC1=CC=CC(=C1)CNC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 1.522 2 5 0 -20.9234792663156 24979496 CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)C 1 2.866 2 4 -13.3791738576295 24979497 C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CC3=CC=C(S3)S(=O)(=O)N4CCOCC4 1 2.627 4 6 0 -13.9035104725965 24979498 CC1=CC=C(C=C1)CSCC(=O)N(C)CC(=O)NC2=C(C=CC=C2Cl)Cl 1 4.095 2 2 -13.1012486440476 24979499 C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC(=O)NC3=C(C=CC=C3Cl)C(F)(F)F 1 2.197 3 5 0 -4.30242877128139 24979500 CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 1.826 3 5 0 -25.0074374807206 24979501 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC)N 1 0.571 6 5 0 -12.2961808065076 24979502 C1=CC(=CC=C1C(=O)NNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])Cl 1 1.972 6 4 0 -10.7522173531723 24979503 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 0.921 3 6 0 -15.2944208502839 24979504 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC(=CC=C4)Cl 1 3.781 4 3 0 -13.7318014190384 24979505 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)NNC(=O)COC3=CC=CC=C3F 1 0.829 3 6 0 -19.0861897796558 24979506 C1CC(CCC1NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)O 1 3.528 1 3 0.613415752819594 24979507 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3 1 3.872 3 3 -2.31529168700234 24979508 CSCCC(C(=O)OC1CCCCC1=O)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.77 1 4 -17.0664582951293 24979509 CN(CC1=CC=C(C=C1)Cl)C(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 2.315 2 5 0 -18.2073769297568 24979510 CC1=CC=C(C=C1)OCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C 1 2.67 4 4 0 -14.5827288251461 24979511 CC1=CC=CC=C1N=C2N(CCS2)C(=O)CN3C(=O)C4(CCCC4)NC3=O 1 2.91 4 3 0 -5.87843717531958 24979543 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCNS(=O)(=O)C4=CC=CC=C4C(F)(F)F 1 4.35 3 3 -16.4737255792095 24979542 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2N3CCCC3)C4=CC=CC=C4 1 2.859 4 3 0 -8.37109763083784 24979541 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 2.601 3 5 0 -27.8632823700128 24979540 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C 1 2.959 4 6 0 -13.1883575854516 24979539 CCOC(=O)C1CCCN(C1)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 1 3.078 4 3 0 -3.57246451192995 24979538 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)C(=O)C 1 2.945 2 5 0 -21.8721293064614 24979537 CC1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 3.637 2 3 -22.8024318239953 24979536 CCC1=NOC(=C1C(=O)NC2=NN=C(S2)CC(C)C)C 1 2.273 4 2 -17.9389129641449 24979535 CCC1=CC=C(C=C1)C(=O)NNC(=O)CC2C3=CC=CC=C3C(=O)O2 1 2.551 2 4 -12.1965583081097 24979534 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NCC(C3=CC=CC=C3OC)N4CCCC4 1 2.998 3 3 -21.2131308673669 24979533 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)OC 1 2.236 3 4 0 -12.9701247515093 24979532 CC(C)[C@@H](C(=O)OCC1=NC(=O)C2=C(N1)C=CS2)NC(=O)C3=CC=C(C=C3)OC 1 2.524 3 5 0 -21.7299664238961 24979531 CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.252 2 7 0 -19.6633996196928 24979530 CC1=CC=C(C=C1)CN(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)C 1 4.271 2 4 -7.59984178210355 24979529 CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CN2C 1 2.322 4 2 -10.7586214776797 24979528 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3CC(=O)N(C3)CCC4=CC(=C(C=C4)OC)OC 1 2.543 4 6 0 -19.0433118612898 24979527 CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3 1 1.794 3 4 0 -22.7567587390196 24979526 C1COCCN1CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 1.421 3 4 0 -14.5395951819168 24979525 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)C(=O)OC(C)C(=O)N3CCOCC3 1 2.08 2 7 0 -16.5973023002118 24979524 CC1=CC=C(C=C1)OCCC(=O)NC2=CC=CC=C2C(=O)N3CCCCC3 1 3.515 2 3 -13.0848078596106 24979523 CCOC(=O)N1CCN(CC1)C(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 1.548 3 6 0 -12.1176744885701 24979522 COC1=CC=CC(=C1OC)COC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 3.292 1 5 -13.4264622960425 24979521 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3(CCCCC3)N(C)C 1 3.711 3 4 0 -10.510466620245 24979520 C1CC(=O)N(C1)CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.184 3 4 0 -18.4713930036577 24979519 CC1CC(CN(C1)C(=O)CN2C(=O)C(NC2=O)(C)C)C 1 0.663 3 3 0 -14.3664342316127 24979518 CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2 1 2.573 1 5 -21.3876438750381 24979517 CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.116 2 4 -8.15750884612053 24979516 CC1=NC(=CC=C1)NC(=O)C(C)SCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 3.271 4 2 -19.1441311713842 24979515 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCCSC3=NC4=CC=CC=C4N3 1 3.465 6 3 0 -13.443988943716 24979514 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N(C)C3CCCCC3)C 1 3.37 2 5 0 -19.5594755994048 24979513 COC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)C3=CC=CC=C3Cl 1 2.829 3 3 -10.5761601055913 24979512 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)CCNC(=O)C2=CC=CC=C2OC 1 2.5 3 4 0 -19.1905864183392 24979490 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.66 4 8 0 -22.2328446021108 24979489 CSCCC(C(=O)OCC(=O)N1CCCC1=O)NC(=O)C2=CC=CC=C2Cl 1 1.526 2 5 0 -26.0054041584805 24979488 CC1=CC(=NO1)NC(=O)CSCC(=O)OCC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC 1 1.304 4 8 0 -27.2912765680684 24979487 CC1=C(C=C(C=C1)C(=O)NCCOC2=CC=CC=C2OC)S(=O)(=O)N3CCOCC3 1 1.944 2 6 0 -25.7686173940042 24979486 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CC2CCCCC2 1 2.218 2 5 0 -17.272025732093 24979485 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CSC4(N3C(=O)CC4)C 1 2.349 3 2 -1.98018840479746 24979484 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)NCCOC3=CC=CC=C3F 1 1.793 2 5 0 -20.1680291489564 24979483 CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.078 1 9 0 -11.7150927608274 24979482 CC1=C(C=C(C=C1)NC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 2.048 3 5 0 -23.4661461356741 24979481 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=COCCO2)OCC 1 0.459 2 6 0 -16.712385489807 24979480 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)CC(=O)NC3=C(C(=C(C=C3)F)F)F 1 1.571 4 4 0 -22.0827869487805 24979479 CCOC1=C(C=C(C=C1)CCNC(=O)CSCC(=O)NC2=CC=CC(=C2)C)OCC 1 3.547 2 4 -15.8332193205928 24979478 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=CC=C(C=C3)OC(F)F 1 2.058 3 5 0 -21.8775581102674 24979477 CC1=C(SC=C1)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=C(C=CS2)C 1 2.188 2 6 0 -15.6185365257923 24979476 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CSCC(=O)NC2=CC=C(C=C2)OC 1 2.337 3 4 0 -19.133302397455 24979475 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)N(C)CC(=O)NC4=CC(=CC=C4)F 1 1.088 5 5 0 -24.5825887535097 24979474 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CC2=COC3=CC(=C(C=C32)C)C 1 2.66 3 4 0 -14.3012667521457 24979473 CCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC 1 2.654 4 4 0 -27.7639199908775 24979472 C1CN(CCN1CC(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.493 3 3 0 -24.94996728715 24979471 COC1=CC=CC=C1C(CNC(=O)CCNC(=O)C2=CC=CC=C2OC)N3CCCC3 1 2.525 3 4 0 -24.6275908086678 24979470 COC1=CC=CC=C1C(=O)NCCC(=O)N2CCCCCCC2 1 2.365 2 3 -15.3856133387955 24979469 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)C 1 3.669 3 3 -15.9537062339922 24979468 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3 1 1.942 3 4 0 -13.4965084731623 24979467 CCC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=NC=C3 1 2.765 3 2 -7.89095208286355 24979466 CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3)OC4=CC(=CC=C4)Cl 1 3.482 3 5 0 -21.3703898118343 24979465 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)N3CCCC(C3)C(F)(F)F 1 3.647 2 4 -11.6787788518885 24979464 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 3.814 2 5 0 -20.8662124058587 24979463 CCOC1=CC=C(C=C1)OCCC(=O)N(CCC2=CCCCC2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 3.996 4 5 0 -11.7007802179489 24979462 C1CN(CCC1C(=O)OCC(=O)C2=CC=CC=C2Cl)C3=NC=C(C=C3)C(F)(F)F 1 3.95 2 3 1.78650430700556 24979461 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NNC(=O)C2=CC=CC=C2O 1 2.089 3 4 0 -8.0107584444483 24979460 C1CN(CCN1C(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4 1 3.751 2 4 -4.60857265099806 24979459 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)N(CC3=NN=C(O3)C4=CC=CC=C4Cl)C5CC5 1 3.238 4 3 0 -12.1665923431107 24979458 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCCC2=CC=C(C=C2)C(C)C 1 3.48 2 4 -15.6670962141233 24979457 CC(CC(=O)NNC(=O)C1=CC=NC=C1)C2=CC=CC=C2 1 1.463 3 2 0 -8.64787438681795 24979456 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CC(C)C4=CC=CC=C4 1 3.86 4 3 0 -17.3354730156446 24979455 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NCC(C2=CC=CS2)N3CCOCC3 1 3.559 2 3 -10.5794506389283 24979454 C1CCCN(CCC1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.833 2 3 -11.3248530673835 24979453 CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)OCC4=C(C(=CC=C4)OC)OC 1 3.26 2 5 0 -18.7724075969996 24979452 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCOCC3)C 1 1.488 3 4 0 -20.9671144402793 24979451 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=C(O3)Br 1 2.306 3 6 0 -10.2668366348935 24979450 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 2.229 3 3 -9.7014473650745 24979449 CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NNC(=O)CN2C=CC(=N2)C(F)(F)F 1 2.071 5 3 0 -26.1788737049418 24979448 CC1=NC(=CC=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC4=CC=CC=C4C=C3 1 2.292 4 3 0 -3.83755892080188 24979447 COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)F)F)OC 1 2.592 2 4 -10.4825495220721 24979446 C1CCC(CC1)(CNC(=O)C2=CN=C(C=C2)Cl)N3CCCCC3 1 3.531 3 1 -10.7611978009547 24979445 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=COCCO3 1 1.422 3 5 0 -21.7486676480843 24979444 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CN4 1 1.829 4 3 0 -19.632647417734 24979443 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C 1 1.158 3 7 0 -30.7271187611273 24979442 CN(CC1=CC=C(C=C1)OC)C(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.634 2 6 0 -20.2735689805783 24979441 CC1=C(C(=NO1)C)CSCC(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 2.769 3 3 -21.0848949198719 24979440 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC(=CC=C4)NC(=O)C 1 2.237 5 4 0 -19.6926635166413 24979439 C1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3)C4=CC=CO4 1 4.561 2 3 -13.9318761366066 24979438 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(S3)S(=O)(=O)N4CCOCC4 1 1.818 3 6 0 -26.9222197725075 24979437 CCOC1=C(C=C(C=C1)CCNC(=O)C2CC(=O)N(C2)CC3=CC=C(C=C3)C)OCC 1 3.372 2 4 -20.8855361123246 24979436 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)N(C)CC3=C(C(=CC=C3)OC)OC 1 3.775 2 5 0 -9.36069728628244 24979435 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=C(C=C(C=C3)OC(F)F)OC(F)F 1 4.296 2 8 0 -7.9427455240932 24979434 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CC3=NN=C(O3)C4=CC=CC=C4Cl)C5CC5 1 3.033 4 5 0 -20.7967585451938 24979433 CCCCN(C)C(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 1.906 4 6 0 -20.1180070330948 24979432 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=O)C4=CSC(=N4)N5CCOCC5 1 2.644 5 4 0 -8.82498481788243 24979431 CC(C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 1.855 6 3 0 -25.2790366171914 24979430 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NNC(=N3)C4=CC=C(C=C4)OC 1 3.028 7 4 0 -10.6495194059205 24979429 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CSCC2=C(ON=C2C)C)N 1 1.609 5 4 0 -21.6206700892389 24979428 CC1=CN=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC4=CC=CC=C43 1 3.697 3 4 0 -21.906383021989 24979427 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 2.517 3 3 -21.6127068517869 24979426 CC1=CC(=NO1)NC(=O)CSCC(=O)NCC2=CC(=CC=C2)OC 1 1.197 3 4 0 -22.2452706622196 24979425 C1CCCN(CCC1)C(=O)CNC(=O)C2=CC=CC=C2Br 1 2.881 2 2 -11.4540349940189 24979424 CCCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.602 2 3 -23.5672258647169 24979423 CC1=NC=C(N=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC 1 2.434 3 4 0 -20.2068301613387 24979422 COC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 0.568 3 8 0 -20.3508235106631 24979421 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.633 2 5 0 -23.5375835067517 24979420 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.892 3 5 0 -14.1598727947576 24979419 C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Br 1 2.225 3 5 0 -25.9909741508511 24979418 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=C(C=CC(=C4)OC)OC 1 3.725 3 5 0 -6.40816852570441 24979417 COC1=CC=CC=C1C(=O)NCCC(=O)NNC(=O)C2COC3=CC=CC=C3O2 1 0.936 3 6 0 -17.1704738887539 24979416 CC1CCCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 1.831 4 4 0 -18.6474456285664 24979415 CC1=C(C=C(C=C1)C(=O)NNC(=O)C(C)OC2=CC=CC=C2F)S(=O)(=O)N3CCOCC3 1 1.687 3 6 0 -24.0058297407573 24979414 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C2CCC2 1 1.726 1 5 0 -9.70975556319146 24979413 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C(=CC=C3)OC)OC 1 3.311 1 6 0 -16.6020023622943 24979412 CN(C)C(CNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)F)C3=CC=CC=C3 1 3.687 3 3 -8.54771156748994 24979411 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CN3C 1 2.391 3 3 -16.5318607054762 24979410 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Cl 1 3.634 5 2 0 -20.1275447783955 24979409 CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3 1 3.349 3 4 0 -9.1589066756278 24979408 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CC(OC(C3)C)C 1 2.506 2 5 0 -13.6822971466296 24979407 CN1C(=O)C=CC(=N1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 0.831 4 3 0 -5.74295985852353 24979406 C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 1.204 2 6 0 -18.0820961450975 24979405 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C 1 2.449 3 5 0 -25.2552525995192 24979404 COC1=CC=CC(=C1OC)/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.619 3 6 0 -15.3297658309187 24979403 C1CN(CCN1C2=CC=CC=C2O)C(=O)CCNC(=O)C3=CC=CC=C3Cl 1 2.603 3 3 -8.70929732494494 24979402 C1COCCN1CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.356 3 4 0 -7.08370001206533 24979401 CC1CC(CN(C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)C)C 1 3.588 1 4 -5.28675254914262 24979400 CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCCN3C(=O)/C(=C/C4=CN=CC=C4)/SC3=O 1 1.667 4 4 0 -13.3803605772687 24979399 CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C)S(=O)(=O)N3CCOCC3 1 0.204 4 4 0 -16.7699554000183 24979398 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3 1 2.037 3 5 0 -16.8804503304967 24979397 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=NC=C2)C 1 1.447 3 3 0 -10.9475974468507 24979396 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC(=O)NC4=CC=CC=C43 1 1.397 3 5 0 -20.5398255271998 24979395 CC(=O)NCCNC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 0.504 3 6 0 -15.1698176506615 24979394 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC4=C(S3)CCC4 1 1.709 4 6 0 -14.3778839856826 24979393 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NNC(=O)COC4=CC=C(C=C4)Br)C 1 3.542 5 3 0 -5.79841824552362 24979392 C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 2.633 2 4 -13.1897309877148 24979391 CCC1=NOC(=C1C(=O)N(CC)C2=NC3=C(C=CC=C3S2)C)C 1 3.83 3 2 -10.8175221511077 24979390 COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC3=CC=CC=C3F)OC 1 2.387 2 4 -12.104318106167 24979389 CC1=CC(=CC=C1)NC(=O)CSCC(=O)N=C2N(C=CS2)C 1 1.65 3 2 0 -10.6752388639602 24979388 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NCC2=CC(=CC=C2)OC 1 2.544 2 3 -12.9219175633311 24979387 CCN(CC(=O)NCC1=CC=CS1)C(=O)/C=C/C2=CC(=CC=C2)Br 1 3.192 2 2 -12.9655183280571 24979386 COC1=CC=CC=C1C(=O)NCCC(=O)NCC(C2=CC=CO2)N3CCCCC3 1 2.286 3 4 0 -24.6831453420303 24979385 CC1=CSC(=N1)SCC(=O)NC(C)C2CC3CCC2C3 1 2.953 2 1 -15.9931607130705 24979384 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCC4)F 1 4.413 3 4 0 -15.0045380718775 24979383 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)NC4=CC(=CC=C4)F 1 2.1 3 3 -4.21387974913602 24979382 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC3CCCO3)F 1 2.576 2 4 -12.9290204966693 24979381 CCCC(C1=CC=CC=C1)C(=O)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.14 3 3 -11.719756343236 24979380 C1COCCN1C(CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3Cl)C4=CC=C(C=C4)F 1 4.853 3 2 -16.79189403656 24979379 CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F 1 3.093 3 3 -18.7626188931031 24979378 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=NC=C3 1 2.513 3 3 -18.9273580650894 24979377 C1CN(CCN1C(=O)C2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 3.697 3 5 0 -21.1496870106831 24979376 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=NN=CS3)C 1 -0.141 5 3 0 -18.0370804354355 24979375 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F 1 1.62 3 4 0 -16.4608474170108 24979374 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3)OCC 1 2.184 3 6 0 -26.9159165153854 24979373 CC1=CC=C(S1)C(=O)NCC(=O)N(C)CC(=O)NC2=C(C=CC=C2Cl)Cl 1 2.367 3 3 -14.4446785772396 24979372 CCOC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)C2=CC=CC=C2O 1 1.917 2 5 0 -7.62043915583447 24979371 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCOC3=CC=CC=C3 1 0.912 4 7 0 -13.1169183124152 24979370 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)N(C)CC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)C 1 4.574 5 2 0 -7.39549911581899 24979369 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(C)C3CCS(=O)(=O)C3 1 -0.451 5 5 0 -26.4601363270907 24979368 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C 1 3.201 3 4 0 -19.8792771617317 24979367 CCOC1=C(C=C(C=C1)CCNC(=O)CSCC(=O)NC2=CC=C(C=C2)C)OCC 1 3.547 2 4 -17.5810269697003 24979366 COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 1.766 2 7 0 -15.1414012798153 24979365 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=C(C(=CC=C3)OC)OC 1 3.71 1 7 0 -19.573230037776 24979364 C1CC2=CC=CC=C2N(C1)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 2.566 3 2 -13.0692984278273 24979363 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.205 3 6 0 -14.4005395615648 24979362 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)/C=C/C3=CC=C(C=C3)OC(F)F 1 3.173 2 6 0 -16.6017323550687 24979361 CC1=C(SC=C1)C(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3 1 2.899 2 3 -16.4907264260354 24979360 C1CC2=NC3=C(C=CC(=C3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)F)C(=O)N2C1 1 1.546 4 3 0 -18.167992373344 24979359 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C)OCC 1 2.563 2 7 0 -21.2337667573128 24979358 CC1CCCN(C1)C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 1.477 3 6 0 -20.0636736841369 24979357 C1CCN(C1)C2=CC=CC=C2NC(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 3.294 3 2 -12.300950594593 24979356 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 1.763 4 4 0 -20.421073348091 24979355 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CCNS(=O)(=O)C3=CC=CC=C3 1 1.978 6 4 0 -13.7485895424674 24979354 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)CSC2=CC=C(C=C2)F 1 2.85 2 4 -13.4176713328147 24979353 CC1=C(C=C(C=C1)OCC(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C 1 4.313 2 4 -7.29366996321662 24979352 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-] 1 2.71 4 5 0 -8.56221323505044 24979351 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F)O 1 2.528 3 5 0 -4.4070008418828 24979350 COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC(=O)NC3=CC=CC=C32)OC 1 1.221 3 5 0 -13.2907250821366 24979349 CC1CCCC(N1C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl)C 1 3.541 2 5 0 -16.4358808406395 24979348 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=CC=C(O3)Br 1 1.215 3 5 0 -24.9984743441917 24979347 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 2.291 3 4 0 -12.6714620196205 24979346 CC1=CC(=NC(=N1)SCC(=O)N(C)CC(=O)NC2=CC=CC=C2Br)C 1 2.329 4 2 -18.4217257153967 24979345 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)OCC(=O)C2=CC=CC=C2OC 1 2.001 2 6 0 -23.5752769561181 24979344 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C2=CC(=CC=C2)N3C=CC=C3 1 4.085 3 2 -7.87899316934703 24979343 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.589 2 6 0 -22.8967177633726 24979342 CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F 1 3.007 3 3 -12.5063158485611 24979341 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-] 1 3.756 4 4 0 -15.9570902544354 24979340 C1CC1(C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)N 1 1.866 2 4 0 -11.1212327030062 24979339 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)N 1 3.855 5 4 0 -8.53317770062853 24979338 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=C(ON=C3CC)C 1 1.674 5 4 0 -15.6801146990824 24979337 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CSC3=CC=C(C=C3)Cl 1 1.887 4 6 0 -10.3427996503655 24979336 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F 1 3.175 5 2 0 -21.2376664435171 24979335 CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-] 1 1.692 5 5 0 -9.80889939294992 24979334 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC 1 1.604 4 5 0 -14.2255905637078 24979333 CC1=CC(=C(C=C1)OC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)Br 1 4.868 1 3 -7.90801313986 24979332 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OCC)OC)OCC 1 4.098 1 7 0 -17.3803083810153 24979331 CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N(C)CC(=O)NC4=C(C=CC(=C4)C)C 1 4.781 3 2 -8.96257619263542 24979330 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 1.996 5 6 0 -14.2907982942313 24979329 CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)CCCOC2=CC=C(C=C2)OC 1 2.686 2 8 0 -25.7944431682701 24979328 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 0.182 2 9 0 -32.5081170041099 24979327 CC12CCC(=O)N1C(CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F 1 1.075 3 4 0 -17.2317681741735 24979326 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)N 1 0.456 5 6 0 -20.8926314651048 24979325 CC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.936 2 3 0 -20.2017226395133 24979324 C1CN(CCC1C(=O)NCC(C2=CC=CS2)N3CCOCC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F 1 2.854 3 4 0 -19.4597043049668 24979323 CC[C@H](C)[C@@H](C(=O)OCC(=O)N(C)CC(=O)NC1=CC=CC=C1Cl)NC(=O)OCC2=CC=CC=C2 1 3.657 3 6 0 -23.5850770098635 24979322 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 3.033 4 3 0 -15.9292638503935 24979321 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=CC3=C(S2)CCC3 1 2.23 3 3 -15.9608387449756 24979320 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)C2=C(C(=C(C=C2)F)F)F 1 1.453 3 6 0 -17.560089155149 24979319 C1CN(CCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4 1 1.008 3 6 0 -17.2547238704983 24979318 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC(=CN3N)C4=CC=CC=C4 1 2.722 7 3 0 -11.4058947486685 24979317 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)N4CCCC4=O 1 2.819 3 2 -15.182682546442 24979316 CCCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 3.113 4 5 0 -13.0282770102373 24979269 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3N4CCCC4 1 2.797 3 4 0 -21.4369486554234 24979270 COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2 1 2.615 1 7 0 -20.9250715781971 24979271 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)COC2=C(C=CC(=C2)C)C 1 2.141 2 6 0 -19.9658915431058 24979272 COC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2 1 2.631 1 6 0 -20.966489432633 24979273 CC1=CC=CC=C1OCCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)N4CCOCC4 1 2.884 3 4 0 -6.15214808487328 24979274 CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2 1 2.435 2 6 0 -23.0732733570868 24979275 CN1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Br)Cl 1 3.09 3 4 0 -2.36516334289373 24979276 CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC(C3=CC=CS3)N4CCOCC4)C5=CC=C(C=C5)F 1 5.188 4 2 -1.14648455117972 24979277 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CCOC3=CC=C(C=C3)C(C)(C)C)C 1 3.613 2 5 0 -12.3642660389542 24979278 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N(C)CC(=O)NC3=CC=C(C=C3)F)C 1 2.354 3 6 0 -22.4518503414385 24979279 C1CC(OC1)CNC(=O)COC(=O)C2=C(C=CC(=C2)Cl)O 1 1.526 1 5 0 -11.2034050617265 24979280 CC1=CC=C(C=C1)OCCC(=O)N(CC2=CC=CO2)CC(=O)NC3=CC=CC=C3C(F)(F)F 1 4.157 2 4 -16.068415370045 24979281 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.066 3 3 -8.36443423759878 24979282 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)CCOC3=CC=C(C=C3)C(C)(C)C 1 3.096 2 7 0 -23.2551660049603 24979283 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3N4CCCC4)C 1 3.481 3 2 -1.91506390875908 24979315 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.659 5 6 0 -27.3194760889452 24979314 CC(C(=O)NC1=CC=CC=C1F)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.901 3 5 0 -15.5534957677182 24979313 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)CC2C3=CC=CC=C3C(=O)O2)N 1 2.316 4 5 0 -15.1316394897455 24979312 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 1.92 3 4 0 -17.1505492680494 24979311 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3 1 1.523 1 7 0 -8.57332914324291 24979310 CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)CC2CCCCC2 1 3.719 1 3 -10.8897526727878 24979309 CC(C(=O)NC1CCN(CC1)CC2=CC=CC=C2)OC3=CC=C(C=C3)Br 1 3.8 2 2 -4.55724534052347 24979308 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-] 1 1.542 5 5 0 -18.456059968817 24979307 CC1=NN=NN1/C(=C\C2=CC=CC=C2)/C(=O)OCC(=O)NC3CCCCC3 1 1.923 5 3 0 -14.5853129617976 24979306 CC1CCCC(N1C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C 1 1.998 2 7 0 -24.625875397557 24979305 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)/C=C/C2=CC=CS2 1 2.346 2 5 0 -16.4427444671587 24979304 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)NNC(=O)C3=CC=CC=C3Cl 1 1.75 4 3 0 -16.1926331321237 24979303 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C2=NNC3=CC=CC=C32 1 3.281 4 2 -13.9987392905136 24979302 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.67 3 5 0 -12.911245174596 24979301 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)N2CCC(=CC2)C3=CC=CC=C3 1 2.34 2 5 0 -15.8160890560539 24979300 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl 1 4.848 2 2 -2.79878053535476 24979299 COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)OCC(=O)N4CCOCC4 1 0.954 3 7 0 -28.3567950439664 24979298 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)COC4=CC=CC=C4OCC 1 3.284 4 5 0 -19.7823720792418 24979297 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CCC(=CC2)C3=CC=CC=C3 1 3.702 2 3 -13.8391045382804 24979296 CN(C1=CC=CC=C1)C(=O)COC(=O)CON=CC2=CC=C(C=C2)OC 1 2.228 2 5 0 -6.76307817979862 24979295 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=CC=CC=C2F 1 2.978 4 5 0 -16.9092747927203 24979294 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=C(C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O)OC 1 1.949 4 6 0 -16.7393817578066 24979293 CCCN(CC1=NN=C(O1)C2=CC=CC=C2Cl)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F 1 2.867 4 5 0 -24.9747313002482 24979292 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)N(C)CC(=O)NC3=C(C=CC=C3Cl)Cl 1 4.19 3 4 0 -12.076098680582 24979291 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCCC3 1 1.514 3 3 0 -20.2581319139745 24979290 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 1.719 3 3 0 -11.2914654055187 24979289 CC(C(=O)N1CCOCC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=C(C=C3)OC 1 2.258 2 7 0 -16.120638515888 24979288 C1CCC(CC1)(CNC(=O)CSC2=CC=CC=C2)N3CCCCC3 1 4.202 2 1 -11.2545337973936 24979287 CC1=C(C=CC=C1Cl)N=C2N(CCS2)C(=O)CN3C(=O)C4(CCCC4)NC3=O 1 3.574 4 3 0 -5.06157279047716 24979286 CCOC1=C(C=C(C=C1)/C=C/C(=O)OCC2=C(C(NC(=O)N2)C)C(=O)OCC)OC 1 2.118 2 7 0 -22.2749818445318 24979285 CCC1=NOC(=C1C(=O)NC2=C(C=CC(=C2)Cl)N3CCCC3)C 1 3.451 3 2 -10.7102607588561 24979284 CC1CCCCC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C 1 2.29 3 3 -23.1307018650182 24979268 CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.901 3 5 0 -11.9749650710133 24979267 CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.901 3 5 0 -14.207150522398 24979266 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.645 3 5 0 -27.9695839617466 24979265 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC 1 3.074 3 4 0 -10.5578623826696 24979264 CC1CN(CC(O1)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC(=C3)C 1 2.66 2 4 -12.3652345630673 24979263 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC(=CC=C4)OC(F)F 1 3.922 4 4 0 -15.7917857234923 24979262 CC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 1.653 4 4 0 -16.592066231272 24979261 CC1CN(CC(O1)C)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 1.446 2 4 0 -15.4284499935244 24979260 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N4CCCCC4 1 3.968 3 4 0 -15.362980856431 24979259 CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CCCC3=CC=CC=C32 1 3.29 2 2 -11.7691490523137 24979258 CC1=CC=C(C=C1)OCC(=O)NNC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.25 3 6 0 -14.1294949869021 24979257 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CCNC(=O)C2=CC=CC=C2OC 1 1.155 3 5 0 -19.9943251657912 24979256 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCCCCC2)C 1 3.057 2 3 -11.5502875741026 24979255 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NNC(=O)C2COC3=CC=CC=C3O2)OCC 1 1.369 3 7 0 -19.2189793081095 24979254 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C 1 1.217 3 6 0 -19.968190468937 24979253 COCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)CSCC(=O)NC3=CC=C(C=C3)OC)N 1 0.559 5 6 0 -16.1209511552981 24979252 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NNC(=O)C2=CC=CC=C2 1 1.994 2 6 0 -15.0317915888137 24979251 CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N(C)CC(=O)NC4=CC=CC=C4Br 1 4.557 3 2 -8.52433763762534 24979250 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)CC(=O)NC3=CC=C(C=C3)C 1 3.186 3 5 0 -11.1985383943901 24979249 CCC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2CC3CCCC(C2)C3=O 1 4.027 1 4 -8.99908571083766 24979248 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)CCSC2=CC=C(C=C2)F 1 3.476 2 2 -11.932519257474 24979247 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=NC4=C(C=C(C=C4S3)F)F 1 2.646 4 3 0 -5.01808833055092 24979246 CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCC4 1 2.941 4 6 0 -15.0848719398102 24979245 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.384 4 5 0 -12.9305811920075 24979244 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3)S(=O)(=O)N(C)C 1 1.958 4 5 0 -13.294871201724 24979243 CC1=C(C(=NO1)C)CSCC(=O)N(C)CC(=O)NC2=CC=CC=C2Br 1 1.911 3 3 0 -22.4477106991645 24979242 CC(C(=O)N1CCOCC1)SC2=NN=C(S2)NC3CCCCC3 1 2.019 4 2 -16.2529726622113 24979241 CCS(=O)C1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.162 2 6 0 -21.3420368914252 24979240 CCOC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)OC 1 1.654 3 6 0 -14.750472724942 24979239 CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.358 3 5 0 -21.0451473461967 24979238 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NCC2COC3=CC=CC=C3O2 1 1.511 2 7 0 -17.5311018335586 24979195 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N3CCC(CC3)C(=O)OC)C 1 1.84 2 7 0 -20.20991649436 24979196 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 3.759 3 4 0 -27.6046946186447 24979197 C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)CCCOC3=CC=CC=C3 1 2.211 3 4 0 -8.42403758354613 24979198 CCC1=NOC(=C1C(=O)N2CCCSC2=NC3=CC=CC=C3)C 1 3.496 3 2 -16.8753502910941 24979199 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N(C)CC2=CC=C(C=C2)SC)C 1 3.352 2 3 -10.4657208419693 24979200 CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C 1 0.726 3 8 0 -27.5181013200267 24979201 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F 1 1.798 3 4 0 -25.1342665191392 24979202 CCCOC1=C(C=C(C=C1)C(=O)NNC(=O)CCNC(=O)C2=CC=CO2)OC 1 1.414 3 6 0 -19.9379162219672 24979203 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)CC)N 1 2.404 5 4 0 -12.9340348055211 24979204 CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC)C4=CC=CC=C4 1 4.991 4 3 0 5.74407833473316 24979205 CC1CN(CC(O1)C)C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 0.683 3 7 0 -23.3838510583994 24979237 CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OCC(F)(F)F 1 1.693 3 6 0 -35.0762271945579 24979236 CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.457 3 3 -24.786835898852 24979235 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C)C 1 4.04 3 5 0 -22.17872252903 24979234 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCC(=O)C3=CC=CS3 1 0.738 4 7 0 -18.7204450945086 24979233 CC(C)C1=CC=C(C=C1)OC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 3.279 1 6 0 -19.0428816075742 24979232 COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C)OC 1 1.707 2 6 0 -18.2773577592037 24979231 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NC3=CC4=C(C=C3)NC(=O)N4 1 0.475 4 7 0 -34.3451261183448 24979230 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 1.83 4 5 0 -8.0500733256629 24979229 CC1=C(C=CC(=C1)Br)SCC(=O)NCC(C2=CC=CO2)N3CCCCC3 1 4.622 2 2 -16.3952785299313 24979228 COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2N3CCCC3 1 2.674 3 3 -8.22709391265049 24979227 CC1=CC(=C(C(=C1)C)OCC(=O)OCC(=O)NCC2=CC=CS2)C 1 3.362 1 4 -16.8917885085469 24979226 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2C(=O)N3CCCCC3)C4=CC=CC=C4 1 2.567 4 4 0 -15.251291191667 24979225 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CC=C2OC)C 1 2.908 1 6 0 -15.795053485094 24979224 CN(C)C(CNC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC 1 4.008 3 4 0 -6.6856125314377 24979223 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=C(C3=C(O2)C=CC(=C3)OCC)C)N 1 2.281 4 6 0 0.760800945225819 24979222 CCC1(C(=O)N(C(=O)N1)CC(=O)N(C)C2CCS(=O)(=O)C2)C3=CC=C(C=C3)F 1 0.578 3 5 0 -16.900707598447 24979221 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NNC(=O)COC4=CC=CC(=C4)C(F)(F)F)C 1 3.736 5 3 0 -3.196982463105 24979220 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2N3CCCCC3 1 3.633 3 2 -8.16859621767443 24979219 CC1=C(C=C(C=C1)NC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)NC4=CC=CC=C4OC 1 2.787 4 5 0 -17.8530954526724 24979218 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 1.876 3 6 0 -21.1646256375235 24979217 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NNC(=O)COC4=CC=CC=C4F)C 1 2.999 5 3 0 -6.41833713984629 24979216 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N(C)C)C4=CC=CC=C4 1 1.909 5 5 0 -23.4848002040055 24979215 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=NC=C3 1 2.141 3 4 0 -13.9325261110575 24979214 C1CN(CCN1C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4F 1 1.47 6 5 0 -25.2504227097022 24979213 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC 1 2.602 1 8 0 -17.3453753875926 24979212 COC1=CC=C(C=C1)C(CNC(=O)CSC2=CC=C(C=C2)Br)N3CCOCC3 1 3.602 2 3 -15.8133966850796 24979211 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCC(=O)OCC3=CC=C(C=C3)F 1 2.685 2 4 -12.453140507894 24979210 C1CN(CCN1CC(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.952 3 3 0 -23.8398456220284 24979209 CC1=C(N=CC=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.277 3 5 0 -20.7505904381556 24979208 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=CC(=C3)C(=O)N(C)CC(=O)NC4=CC(=CC=C4)F)C)C 1 3.244 3 4 0 -22.9267891104887 24979207 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=COCCO2)Cl 1 1.007 2 5 0 -12.8149569560519 24979206 C1CN(CCN1C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl 1 2.901 4 6 0 -16.9378591848132 24979194 CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 1.679 4 6 0 -20.6437359734068 24979193 CC(C(=O)OC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)F 1 4.48 1 5 -11.8022278524042 24979192 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC(C3)C(F)(F)F 1 2.918 2 3 -21.3068569514966 24979191 CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2CSC3(N2C(=O)CC3)C 1 0.989 3 4 0 -13.7452342774223 24979190 CN(CC1=C(C=C(C=C1)OC)OC)C(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCC4 1 2.957 4 5 0 -14.4023035729656 24979189 CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)CSC3=NC4=C(N3)C=C(C=C4)OC 1 4.108 4 4 0 -22.7795512061825 24979188 C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=NC=C3 1 2.781 3 3 -22.8984823175621 24979187 CCOC1=CC=CC=C1OCC(=O)OCC2=C(C(NC(=O)N2)C)C(=O)OCC 1 1.502 2 7 0 -23.7838550103711 24979186 COC1=C(C=CC(=C1)C(=O)NCCC2=CC=C(C=C2)Cl)OCC(=O)N3CCOCC3 1 2.527 2 5 0 -17.301496270506 24979185 CC1CCCN(C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.562 2 7 0 -24.5403420474826 24979184 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)OC(F)F 1 1.99 3 5 0 -16.4181608005313 24979183 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)COC4=CC(=CC=C4)Cl 1 3.268 4 4 0 -13.6555018960097 24979182 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=CC=C(C=C3)C(F)(F)F 1 2.37 4 5 0 -4.34145609073406 24979181 CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 3.28 2 4 -16.4607738283649 24979180 CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NCC3CCCO3 1 3.461 3 4 0 -21.1250846438063 24979179 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.034 4 6 0 -21.5963041634125 24979178 CCC1=NOC(=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OCC(F)(F)F)C 1 1.959 3 6 0 -31.9246731450652 24979177 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.909 2 7 0 -24.5828487981398 24979176 CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 4.192 2 3 -11.3602066070677 24979175 CC1CN(CC(O1)C)C(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)C)C 1 1.67 2 4 0 -15.6538845002436 24979174 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3 1 3.614 4 4 0 -11.3414950692947 24979173 COC1=CC=CC=C1NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 2.573 2 5 0 -21.8611940076296 24979172 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=CC=C4 1 1.377 5 6 0 -20.5133052970932 24979171 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)C 1 2.967 1 6 0 -18.0895135937845 24979170 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)Cl)C 1 5.03 4 1 4.10017956783026 24979169 CC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)NC(=O)C 1 -2.8e-002 3 7 0 -16.4319298211061 24979168 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2CCCC2 1 1.814 2 4 0 -12.6162460059162 24979167 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CSC4(N3C(=O)CC4)C)C 1 1.105 3 4 0 -20.0223277571698 24979166 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC=C(C=C2)C3SCCS3 1 4.419 2 2 -16.7004492391685 24979165 COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)NCC(C3=CC=CS3)N4CCOCC4)C5=CC=CC=C5 1 4.464 4 4 0 -5.27294173021613 24979164 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 2.646 6 4 0 -15.3370918041438 24979163 CC1=CC(=C(C=C1)C)OCCC(=O)NNC(=O)CN2C(=CC(=N2)C)C 1 1.857 4 3 0 -15.4615623679304 24979162 CC1=CC(=NO1)C(=O)N(C)CC(=O)NC2=CC=C(C=C2)OC 1 0.892 3 4 0 -15.6641058837404 24979161 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 1.794 6 4 0 -12.5742160437591 24979160 C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 1.967 3 7 0 -15.4334935837018 24979159 CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 2.407 4 3 0 -11.6904567933315 24979158 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CC3=CC=CC4=CC=CC=C43 1 3.095 4 5 0 -10.8022201086874 24979157 CC(C(=O)NCC1CCCO1)SC2=NN=C(N2N)C3=CC=C(C=C3)Cl 1 2.277 5 2 0 -13.0086531020473 24979156 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C)N 1 0.421 6 5 0 -23.8027653799476 24979155 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 1.981 6 4 0 -14.1720327272991 24979154 COC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 1.762 4 4 0 -6.44875409632524 24979153 CC1=CC=CC=C1OCC(=O)NNC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 1.11 3 6 0 -18.7547525712747 24979152 C1CN(CCN1C(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 2.562 3 3 -14.6320202677861 24979151 C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F)N4CCCCC4 1 4.501 3 3 -9.86009714119947 24979150 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)COC(=O)CCOC2=CC=CC=C2)N 1 0.657 4 7 0 -14.3678520036223 24979149 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=NC(=C(S4)C(=O)C)C5=CC=CC=C5)C 1 4.677 5 2 0 1.28788465189351 24979148 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)COC4=CC=C(C=C4)Cl 1 3.616 4 4 0 -14.6542266227218 24979147 CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=[N+](C=C2)[O-] 1 0.818 2 4 0 -15.1701298931948 24979146 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CCCOC3=CC=C(C=C3)OC 1 3.364 3 5 0 -12.6728442000655 24979145 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CSC(=N3)C4=CC(=CC=C4)Cl 1 3.334 4 3 0 -7.86414217360964 24979144 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=COCCO2 1 0.553 2 4 0 -12.6031861926578 24979143 CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2C(=O)C3(CCC(CC3)C)NC2=O)C 1 2.94 3 5 0 -14.5759915473537 24979142 CC1=CC=CC=C1OCCC(=O)OCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.398 4 7 0 -12.1656475519846 24979141 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NNC(=O)C4=CC=C(C=C4)F)C 1 3.164 5 2 0 -3.3948102750247 24979140 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4 1 4.962 4 2 -3.40193128690569 24979139 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 1.786 4 4 0 -18.1826656049079 24979138 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)N(CC3=NN=C(O3)C4=CC=CC=C4Cl)C5CC5 1 3.055 4 3 0 -14.8478111136323 24979137 CC1=NC(=C(S1)CC(=O)N(C)CC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)F 1 4.017 3 2 -5.95661816690656 24979136 C1CN(CCN1C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4C#N 1 1.144 7 5 0 -25.2838486660734 24979135 CC1=CC(=NO1)NC(=O)CSCC(=O)NCC2=CC(=CC=C2)C(F)(F)F 1 2.155 3 3 -18.5968571721665 24979134 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC(C)C(=O)NC2=NOC(=C2)C)N 1 1.266 6 5 0 -24.096760857363 24979133 CCC1=CC=C(C=C1)C(=O)NNC(=O)C2CSC3(N2C(=O)CC3)C 1 1.118 3 3 0 -8.66684265014839 24979132 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NCCNC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C 1 0.4 4 8 0 -16.5410159016325 24979131 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.035 3 7 0 -11.421907686578 24979130 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)OC(C)C(=O)NC2=C(C=C(C=C2)F)Cl 1 2.752 3 5 0 -18.5868254905614 24979129 CC1=CC=CC=C1OCC(=O)NNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 1.63 6 5 0 -16.6313778209743 24979128 CC1=CC(=CC=C1)OC(C)C(=O)NC2=CC=C(C=C2)N3CCCCC3 1 4.499 2 2 -6.70831851071173 24979127 CC1=CC=C(C=C1)C(=O)NNC(=O)C2CSC3(N2C(=O)CC3)C 1 0.662 3 3 0 -8.4274045143693 24979126 CCOC(=O)C1=CC=CC=C1NC(=O)C2=COCCO2 1 0.732 1 5 0 -12.8756758922622 24979125 C1CC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F)C(=O)N2C1 1 1.494 4 4 0 -24.2865167969224 24979124 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.239 3 6 0 -20.3668166614074 24979123 CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(C=C3)N4CCCC4=O 1 2.415 5 4 0 -19.4721335078824 24979122 CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 2.053 6 4 0 -21.1004641807702 24979121 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2CC(=O)N(C2)CC3=CC=CO3 1 1.144 3 8 0 -21.1032487736847 24979120 CC(=NOCC(=O)OCC(=O)N(CC1=CC=CC=C1)C(C)(C)C)C2=CC3=C(C=C2)OCO3 1 2.931 2 6 0 -10.4285404370119 24979119 CC1=CC=C(C=C1)OCCCC(=O)NNC(=O)C2=CC=NC=C2 1 1.611 3 3 0 -11.0861203336607 24979118 CC1=CC=C(C=C1)CSCC(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 4.095 2 2 -12.1380995645763 24979117 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 0.261 5 7 0 -24.5074686550682 24979116 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3F 1 2.557 3 5 0 -12.176629482766 24979115 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=CC3=C(C=C2Cl)N4CCCCCC4=NS3(=O)=O 1 2.09 5 5 0 -17.5350077038136 24979114 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=C(C=C(C=C2)Br)Br 1 3.187 3 3 -17.5981532897172 24979113 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C 1 3.94 5 2 0 -9.68589753781948 24979112 CCOC1=CC=C(C=C1)OCCCC(=O)NNC(=O)C2=CC=NC=C2 1 1.458 3 4 0 -12.2670818611809 24979111 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NNC(=O)C2COC3=CC=CC=C3O2 1 1.141 3 6 0 -13.3066395658149 24979110 CC(C1=C(C=C(C=C1)Cl)Cl)NCC(=O)NC(=O)NC2CCCC2 1 3.315 3 2 -2.90689247337111 24979109 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=C(C3=CC=CC=C3O2)C 1 2.43 3 4 0 -6.01534906114222 24979108 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=C(C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O)OC 1 2.463 3 6 0 -10.6286216816644 24979107 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=NC3=CC=CC=C3C=C2 1 3.255 3 2 -12.8610558826472 24979106 C1CN(CCN1C(=O)CNC(=O)C2=CC=C(O2)Br)S(=O)(=O)C3=CC=CC(=C3)F 1 1.056 3 5 0 -24.101792849206 24979105 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC)OCC 1 4.662 3 5 0 -14.4102881481583 24979104 COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)OC 1 1.619 3 6 0 -18.8910871352687 24979103 CC1=C(N=CC=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC4=CC=CC=C4C=C3 1 2.495 4 3 0 -3.48622996380247 24979102 CC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC(=O)C2=CC=CC=C2)C 1 5.6e-002 3 6 0 -15.3461851714781 24979101 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 3.128 3 4 0 -21.9360494326451 24979100 CC1=CC=C(C=C1)SCC(=O)OC(C)C(=O)NCC2=CC=CC=C2 1 3.692 1 3 -10.9049371029338 24979099 CN(CC1=CC=C(C=C1)OC)C(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 2.605 3 3 -8.07063183869323 24979098 CN(C1CCS(=O)(=O)C1)C(=O)CN2C=NC3=CC=CC=C3C2=O 1 -0.271 3 4 0 -19.2572485938761 24979097 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=CC=C4SC 1 2.429 4 4 0 -23.2263757529439 24979096 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.894 4 6 0 -30.413396092911 24979095 CC(=O)C1=CC=CC=C1NC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.177 2 6 0 -25.3276274665917 24979094 CC(C)CCSC1=C(C=C(C=C1)C(=O)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 3.747 4 5 0 -16.3062694145721 24979093 C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 4.827 3 4 0 -18.2716874768732 24979092 C/C(=C\1/C=CC(=CC1=O)OC)/NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 0.786 3 5 0 -19.3810937708172 24979091 COC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC3CC3 1 1.333 5 2 0 -25.6811247098723 24979090 CC1CN(CC(O1)C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl 1 3.097 3 4 0 -22.8225055306799 24979089 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 1.182 4 6 0 -17.5638374065865 24979088 CC12CCC(=O)N1C(CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl 1 1.545 3 4 0 -15.5434814253 24979087 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.132 3 4 0 -20.349557499339 24979086 C1COCCN1S(=O)(=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)C#N 1 1.462 3 4 0 -16.508470725897 24979085 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2CC(=O)N(C2)C3=C(C=C(C=C3)OC)OC 1 1.214 3 5 0 -21.8249910524118 24979084 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CCC(=O)C2=CC=C(C=C2)F 1 2.801 2 3 -14.6939703382296 24979083 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 3.371 3 5 0 -16.9551669813305 24979082 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CSCC(=O)NC2=NOC(=C2)C 1 1.763 4 4 0 -26.3984811949764 24979081 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 3.598 3 4 0 -23.0782276259608 24979080 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.39 3 5 0 -16.9743083019139 24979079 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4 1 1.721 7 4 0 -10.423579380891 24979078 C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 2.394 3 4 0 -15.944097787669 24979077 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)/C=C/C2=CC=C(S2)Br 1 3.629 2 2 -7.06530306261892 24979076 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=C(OC(=C2)C)C 1 2.034 2 3 -14.3201833129352 24979075 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2CC2C 1 1.985 2 2 0 -9.4281747214212 24979074 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)CC2=CC=CC=C2F 1 2.165 2 5 0 -18.618037974853 24979073 CN(CC1=CC=C(C=C1)OC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.239 3 5 0 -17.9126011480288 24979072 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC 1 4.645 3 4 0 -11.1939623000662 24979071 CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N(C)CC(=O)NC3=CC=CC=C3C(F)(F)F)C 1 3.057 4 3 0 -16.3602361395479 24979070 CCCCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC3(CC2CC(C3)(C)C)C 1 3.981 2 3 -25.9518718684719 24979069 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 1.843 4 3 0 -17.746125308442 24979068 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.669 3 4 0 -19.4532151229809 24979067 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 2.392 4 4 0 -20.8453466389678 24979066 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=NN=C(N3C(C)COC)COC4=CC=CC=C4F)C 1 1.709 6 5 0 -21.8190643051562 24979065 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.41 3 6 0 -25.127199029784 24979064 CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCC(=CC2)C3=CC=CC=C3 1 3.39 2 3 -21.1609565299348 24979063 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)F 1 2.598 2 5 0 -13.4281855790973 24979062 CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=NC(=CS2)C3=C(C=C(C=C3)OC)OC 1 2.118 4 5 0 -15.1381423281596 24979061 CCN(C1CCCCC1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.533 2 7 0 -23.4905447755274 24979060 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O 1 1.52 5 7 0 -17.2182132452026 24979059 CN(C)C(CNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3CCCO3)C4=CC=CC=C4 1 4.07 4 3 0 -24.2739621637799 24979058 CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=NC=CS2 1 1.67 3 3 0 -19.8085957845316 24979057 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)NC3=CC=C(C=C3)OCC 1 3.282 3 5 0 -22.9066416326333 24979056 CCC(CC)C1=NN=C(S1)NC(=O)CSCC(=O)NC2=NOC(=C2)C 1 1.983 5 3 0 -23.1926885509065 24979055 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CN2N=C(N=N2)C3=CC(=CC=C3)OC 1 1.454 5 4 0 -12.3909037592388 24979054 C1=CC(=C(C=C1CC(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)Cl)Cl 1 2.548 3 4 0 -15.5840470941326 24979053 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=NC=C(C(=C3Cl)Cl)Cl 1 3.002 2 5 0 -11.0412591580159 24979052 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 2.304 4 6 0 -12.6786825631693 24979051 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NCCCCC4 1 2.297 4 6 0 -27.048096366094 24979050 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)OC(C)C(=O)N3CCOCC3 1 2.302 2 6 0 -17.837313179775 24979049 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC3=C(C=C2)NC4=C3CC(CC4)C 1 5.1 3 2 -11.2220877848885 24979048 CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2F)N 1 0.125 4 7 0 -22.6595466789247 24979047 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.81 3 6 0 -12.8768241704022 24979046 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)CNC(=O)C2=CC=CS2 1 1.525 2 6 0 -20.386250075936 24979045 CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)C 1 2.045 3 4 0 -19.9789747401257 24979044 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC 1 2.174 3 4 0 -18.891256977951 24979043 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN=CS3 1 1.752 3 3 0 -15.1155176058685 24979042 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)CCOC2=CC=C(C=C2)C 1 3.073 2 7 0 -21.990856884478 24979041 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N(C)CC2=C(C(=CC=C2)OC)OC 1 1.87 3 5 0 -20.8629289271515 24979040 C1=CN(C=C1)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 2.953 3 2 -4.16286406857531 24979039 CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)C3=CC=C(C=C3)N4CCCC4=O)N 1 2.147 5 5 0 -18.8459098173463 24979038 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CCNC(=O)C2=CC=CC=C2OC 1 1.658 3 4 0 -19.7501318055565 24979037 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)C2=NC=CN=C2N 1 0.423 5 6 0 -24.0162219375314 24979036 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)OCC 1 2.977 3 4 0 -10.7613772662281 24979035 C1CS(=O)(=O)CC1NC(=O)CN2C=NC3=CC=CC=C3C2=O 1 -0.477 3 4 0 -18.5702389445581 24979034 CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC)S(=O)(=O)N(C)C 1 1.138 3 7 0 -24.3820152020722 24979033 CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 1.427 4 4 0 -19.8658288803522 24979032 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=NN=NN3C4=CC=CC=C4)C 1 0.814 7 3 0 -26.1445328160638 24979031 CCN(CC)C1=C(C=C(C=C1)NC(=O)C2=CNC(=O)C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 1.752 4 5 0 -12.7783233594768 24979030 CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 2.457 4 6 0 -15.538333945383 24979029 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC(C3)C(F)(F)F)Cl 1 3.786 2 3 -17.1866381149607 24979028 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)OC)N(C)C)F 1 3.952 3 4 0 -6.42490204039221 24979027 COC1=C(C=C(C=C1)CC(=O)N(CCC2=CCCCC2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N)OC 1 3.582 4 5 0 -13.3658300065538 24979026 C1CCN(C1)C2=CC=CC=C2NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4 1 2.516 3 2 -8.2234463092162 24979025 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3OC 1 1.195 5 7 0 -20.5548452934064 24979024 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4 1 3.361 5 3 0 -8.43708684017203 24979023 C[C@@H](C(=O)OCC(=O)NNC(=O)C1=CC=CS1)NC(=O)C2=CC=CC=C2Cl 1 1.74 3 5 0 -19.7218011475737 24979022 C1=CC(=CC=C1CC(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)Cl 1 1.883 3 4 0 -15.6321365530998 24979021 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC3=C(S2)CCC3)N 1 3.07 4 3 0 -11.1149029944167 24979020 CN(C)C1(CCCCC1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 3.809 3 3 -13.7875926560246 24979019 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CCOC2=CC=C(C=C2)C 1 3.209 2 3 -15.4061096320299 24979018 CCC1=C(SC(=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3)C 1 3.364 2 2 -12.1310532047997 24979017 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=CC=C3O 1 2.1 3 6 0 -6.26955585991692 24979016 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCC(=O)OCC(=O)C3=CC=CC=C3Cl 1 2.816 2 5 0 -16.0434176629152 24979015 COC1=CC=CC(=C1)CNC(=O)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.605 2 5 0 -20.4064544363693 24979014 CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=NC3=CC=CC=C3N2 1 1.263 5 3 0 -14.3122829810297 24979013 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CSCC(=O)NC2=CC=C(C=C2)C 1 1.289 4 4 0 -18.6855411429739 24979012 C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N4CCCCC4 1 4.296 3 3 -11.4679838059009 24979011 CC1(CCS(=O)(=O)C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 1.497 3 5 0 -23.2685478433256 24979010 CC1=CC(=NO1)NC(=O)CSCC(=O)N(C)CC2=C(C=CC=C2Cl)F 1 2.289 3 3 -23.288604805054 24979009 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 4.159 3 3 -21.3567726014367 24979008 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C)C4=CC=CC=C4 1 2.496 5 3 0 -2.41563519149356 24979007 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl 1 2.707 3 4 0 -19.8053048410995 24979006 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC3=C(S2)CCC3)N 1 3.207 4 3 0 -10.9911894765239 24979005 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)N(C)CC(=O)NC3=C(C=CC(=C3)Cl)OC 1 2.293 3 4 0 -16.3583300930239 24979004 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=NC=CN=C3N 1 0.303 5 5 0 -26.2129125086426 24979003 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 2.239 3 3 -17.5365874975708 24979002 CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)NC(=O)N4 1 2.985 5 3 0 -27.4967317773868 24979001 COC1=CC=C(C=C1)COC(=O)CCNC(=O)C2=CC=C(C=C2)Cl 1 3.224 1 4 -10.556941331163 24979000 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)NCCC3=CC=C(C=C3)F 1 2.065 2 4 -19.198321378235 24978999 CC1=CC(=C(C(=C1C)SCC(=O)NC2=C3C(=C(O2)C)C(=NNC3=O)C)C)C 1 3.33 3 3 -11.7582769342914 24978998 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)COC(=O)CC2=C(C3=CC=CC=C3N=C2C)C 1 3.48 5 5 0 -12.5907206320639 24978997 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)COC(=O)COC3=CC(=CC=C3)Br)C 1 1.283 3 6 0 -13.6645677598119 24978996 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=C4C(=C(O3)C)C(=NNC4=O)C 1 1.682 6 5 0 -26.1388698963028 24978995 CC1=CC=C(C=C1)C(=O)CCC(=O)NN2C(=O)C3(CCCCC3)NC2=O 1 2.248 3 4 0 -6.77427095121537 24978994 CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC3)C 1 2.585 2 3 -5.77516481121088 24978993 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CSCC(=O)NC2=CC=C(C=C2)C 1 2.84 3 3 -18.7203361883109 24978992 CCCCOC1=C(C=C(C=C1)/C=C/C(=O)N(CC)CC(=O)NC2=CC3=C(C=C2)OCCO3)OC 1 3.778 2 6 0 -18.6384779769101 24978991 CC1=CC=C(C=C1)OCCNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.915 2 4 -14.6708394247383 24978990 CC1=CC=CC=C1OCC(=O)NCC(C2=CC=CC=C2OC)N3CCCC3 1 3.555 2 3 -14.8827256515699 24978989 COCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl)N 1 2.991 4 5 0 -2.95248070650175 24978988 CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4 1 3.678 2 5 0 -20.7476909843951 24978987 COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl 1 2.675 2 6 0 -11.687224542901 24978986 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC(F)F 1 1.638 5 4 0 -20.2855033078397 24978985 C1CCC(CC1)C=NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 3.914 3 1 -6.59467445847134 24978984 CCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C 1 4.356 2 3 -15.5687716127878 24978983 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OCC 1 3.503 3 6 0 -26.8193745458597 24978982 CC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=NC=C2)S(=O)(=O)N3CCCCC3 1 1.241 4 4 0 -18.9916190777735 24978981 COCCN(CCOC)C(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 0.315 4 8 0 -20.7957667109719 24978980 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C(=O)C 1 3.224 3 4 0 -22.6036427059175 24978979 CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 2.196 3 4 0 -18.2566761088364 24978978 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3)C 1 3.62 3 4 0 -15.9623783992599 24978977 CN(C)C(CNC(=O)CCC1=NC2=C(C=CC(=C2)Cl)N(C1=O)CC3=CC=CC=C3)C4=CC=CC=C4 1 4.462 4 2 -13.5359659190127 24978976 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.617 2 7 0 -19.8237650428433 24978975 CCOC1=CC=C(C=C1)C(=O)NCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCCC3 1 2.625 3 4 0 -21.0233064958998 24978974 CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.827 2 3 -12.0534304552332 24978973 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 1.076 2 6 0 -28.7406816239258 24978972 CC1=C(C=C(C=C1)C(=O)NCC(C)(C)N2CCOCC2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.404 3 5 0 -18.184468505109 24978971 CCCCCCCC(=O)NC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)C)N3CCC4(CC3)CC(=NO4)C5=CC(=CC=C5)Br 1 7.344 4 3 0 -12.4807308058062 24978970 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC4(CC3)CC(=NO4)C5=CC(=CC=C5)Br)NC(=O)C6=CC=CC=C6 1 6.06 4 3 0 -7.91325529919114 24978969 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC4(CC3)CC(=NO4)C5=CC(=CC=C5)Br)N 1 4.529 4 2 -3.81470222696012 24978968 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC4(CC3)CC(=NO4)C5=CC=CC=C5)NC(=O)C6=CC(=CC=C6)C 1 5.798 4 3 0 -9.70237300348102 24978966 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC4(CC3)CC(=NO4)C5=CC=CC=C5)NC(=O)C6=CC=CC=C6 1 5.312 4 3 0 -11.2367648025003 24978964 CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC(=CC=C4)Br)NC(=O)C5=CC=CO5 1 4.258 4 4 0 -8.14001635391315 24978963 CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC(=CC=C4)Br)NC(=O)C5=CC(=CC=C5)OC 1 4.846 4 4 0 -9.23634391501925 24978961 CCCCCCCC(=O)NC1=C(C=CC(=C1)C(=O)NCCC)N2CCC3(CC2)CC(=NO3)C4=CC(=CC=C4)Br 1 6.146 4 3 0 -13.7098241544257 24978960 CCCCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)NCCC)N2CCC3(CC2)CC(=NO3)C4=CC(=CC=C4)Br 1 6.153 4 3 0 -11.6169260542317 24978959 CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC(=CC=C4)Br)NC(=O)C5=CC=CC=C5 1 4.863 4 3 0 -9.57469514086852 24978958 CC(=O)N1CCN(CC1)C(=O)COC2=CC3=C(C=C2)OC4=C3CCCC4 1 1.983 2 4 0 -9.30857712748626 24978957 CN1C=CC=C1C(=O)NC2CCCCC2 1 2.487 2 1 -7.15358322431507 24978956 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 1.823 4 6 0 -30.2980160319352 24978955 CC1=C(C(=CC=C1)C(C)C)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 3.212 2 4 -18.0381269442157 24978954 CC(C)(C(=O)NCC(C1=CC=CC=C1OC)N2CCCC2)OC3=CC=C(C=C3)Cl 1 4.529 2 3 -10.5489925218106 24978953 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3CCCC3 1 2.382 3 5 0 -17.1949922430522 24978952 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4(CCCC4)NC3=O)OC 1 2.065 4 5 0 -6.06451376693627 24978951 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSCC3=C(ON=C3C)C 1 1.034 3 6 0 -34.5312865677721 24978950 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)COC(=O)C3=CC(=CC(=C3)F)F)C 1 1.11 3 5 0 -12.9978133901169 24978949 COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3N4CCCC4)OC 1 2.476 3 4 0 -5.82035608978082 24978948 CC1=CC2=C(C=C1)N=C(C=C2C(=O)N(C)CC(=O)NC3=CC=CC=C3Br)C4=CC=CC=C4 1 5.248 3 2 -6.01080402893581 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CC1=CC(=C(C=C1)C)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C 1 3.856 2 4 -19.1785597458395 24978751 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4 1 1.305 3 7 0 -30.7048264245163 24978750 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 2.605 3 5 0 -17.6765952779214 24978749 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)C 1 2.472 3 3 -19.6303129362936 24978748 CCN(CC(=O)NCC1=CC=CS1)C(=O)/C=C/C2=CC(=C(C(=C2)Cl)OCC)OC 1 3.424 2 4 -19.280654793958 24978747 CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 1.513 4 4 0 -7.77851242318193 24978746 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=NN=C(S2)C 1 1.288 4 2 0 -14.4405538465077 24978745 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(C=C3)N4CCCC4=O 1 1.707 5 4 0 -18.1145175687081 24978744 CN(CCOC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 2.345 2 5 0 -19.603381071852 24978743 CCC1=NOC(=C1C(=O)N(C)CC(=O)NC2=CC=C(C=C2)OC)C 1 1.413 3 4 0 -16.6074617614795 24978742 CCCCC1=NN=C(S1)NC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.751 4 5 0 -26.873283438377 24978741 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-] 1 2.237 6 5 0 -23.2953562164524 24978740 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CC2=CSC(=N2)C3=CC(=C(C=C3)OC)OC 1 3.451 3 4 0 -15.3214965792084 24978739 CCCCC1=NN=C(S1)NC(=O)C2=CC=CC=C2OCC3=C(ON=C3C)C 1 3.378 4 3 0 -20.0799138018996 24978738 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CN=C(C=C3)Cl 1 3.374 3 3 -13.9844866645604 24978737 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C)C 1 0.767 4 3 0 -23.0363548377255 24978736 CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCCC3=CCCCC3 1 3.178 2 2 -13.2223647255488 24978735 CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C 1 1.862 3 5 0 -21.6833995237019 24978734 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC 1 0.938 4 5 0 -22.3073885075343 24978733 CC1CCCCC1NC(=O)C(C)OC(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 3.131 2 4 -17.2782184101184 24978732 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4 1 0.82 5 7 0 -24.6328638476472 24978731 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3CCCCC3 1 2.636 3 3 -12.0020499390994 24978730 COCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(C=C3)N4CCCC4=O 1 0.766 5 5 0 -19.5568465036409 24978729 C1CC2=NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)Cl)Cl)C(=O)N2C1 1 3.404 3 2 -10.4433834194505 24978728 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)F 1 1.905 2 6 0 -21.5361599643864 24978727 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 2.289 6 4 0 -17.9125110058027 24978726 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 3.224 3 5 0 -17.3286521032472 24978725 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC3=C(C=C(C=C3)C)[N+](=O)[O-] 1 2.815 4 5 0 -13.8194847141691 24978724 CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CCSC2=CC=C(C=C2)F 1 3.962 2 2 -12.8705772488747 24978723 CC(=O)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 1.815 3 3 0 -17.8874637948974 24978722 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC=CC=C2OCC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.426 3 5 0 -7.42033827543123 24978721 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)C3=CC=C(C=C3)OCC(=O)N(C)C 1 0.717 4 6 0 -28.3609594338987 24978720 CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3)OC 1 1.142 2 8 0 -26.6277606773137 24978719 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.037 4 4 0 -20.4959230615916 24978718 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CSCC(=O)NC3=CC=C(C=C3)C 1 1.954 3 5 0 -20.0056981896082 24978717 CC1=CC=C(C=C1)NC(=O)CSCC(=O)N(C)CC(=O)NC2=CC=CC3=CC=CC=C32 1 2.728 3 3 -14.5211798469992 24978716 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 2.592 4 4 0 -16.0321514358443 24978715 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CSCC(=O)NC2=NOC(=C2)C)OCC 1 1.137 4 6 0 -29.4596132712858 24978714 C1CN(CCC1C(=O)NC2=C(C=CC=N2)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.258 3 4 0 -8.41858767704982 24978713 CC1=CC=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCC4 1 3.319 4 4 0 -16.5869111328978 24978712 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)N(C)CC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.658 3 4 0 -15.756428389155 24978711 CSCCC(C(=O)OCC(=O)N1CCCC1=O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 0.756 3 7 0 -29.9330536239469 24978710 CCC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)C 1 2.125 3 4 0 -27.6589410332253 24978709 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSCC2=CC=C(C=C2)C)N 1 1.754 4 4 0 -13.8791465873966 24978708 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3F 1 2.238 3 5 0 -25.201867643459 24978707 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F 1 3.027 3 2 -11.7335699853074 24978706 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)CC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4 1 3.713 2 5 0 -18.2666187354839 24978705 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 3.328 2 5 0 -25.6690969126716 24978704 COC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC=CC=C3N4CCCC4 1 2.493 3 3 -6.52813092092942 24978703 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 3.44 3 3 -22.0037924533813 24978702 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)CCOC3=CC=C(C=C3)Cl 1 3.628 3 4 0 -17.1846169964641 24978701 CC1CCC(CC1)NC(=O)COC(=O)C2CC3CCCC(C2)C3=O 1 2.904 1 4 -11.9734941748284 24978700 CC1=C(SC=C1)C(=O)N2CCC(=CC2)C3=CC=CC=C3 1 3.769 1 1 -9.68789385099406 24978699 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)NCCCC2=CC=CC=C2 1 3.348 1 5 -18.5074386275049 24978698 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])OCC 1 3.062 4 6 0 -16.8335223764125 24978697 CN(CCOC1=CC=C(C=C1)Cl)C(=O)C(CCSC)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 4.057 2 4 -12.51006875927 24978696 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 2.674 3 4 0 -30.980490976693 24978695 C1CC(CN(C1)C(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F)C(F)(F)F 1 4.779 1 2 4.12023410547824 24978694 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 4.095 2 4 -8.96337662651609 24978693 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC(=O)CN2C(=O)C(NC2=O)(C)C 1 0.485 4 7 0 -26.0266281268892 24978692 C1CN(CCC1C(=O)NCCCN2CCOCC2)S(=O)(=O)C3=CC=CC=C3 1 0.515 3 4 0 -23.0643914497426 24978691 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3 1 3.059 4 4 0 -6.46098720295013 24978690 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC=CC=C2CCC3=CC=CC=C3 1 4.516 2 2 -9.72492625974142 24978689 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NN=C(S3)C 1 1.436 5 3 0 -25.4306216403082 24978688 CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CN3C(=O)C4(CCCCC4)NC3=O 1 2.719 4 3 0 -8.96623695023451 24978687 CC1=C(C=CC(=C1)OCC(=O)NC2=CC=CC=C2N3CCCC3)C(C)C 1 4.753 2 2 -5.99797522049268 24978686 COC1=C(C=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 3.52 2 5 0 -23.3738744818625 24978685 C1CN(CCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)F 1 1.214 3 6 0 -15.1190386115483 24978684 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)CC3=CC=C(C=C3)F 1 3.12 3 3 -17.0109919277655 24978683 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)CC2=CNC3=CC=CC=C32)OCC 1 3.643 2 5 0 -17.77556461351 24978682 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCN3CCCC3=O 1 1.225 3 5 0 -24.7238335311837 24978681 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(ON=C2C)C)OCC 1 1.427 3 5 0 -19.7127996544247 24978680 CC1=C(OC2=C1C=CC=C2Cl)C(=O)NCCCN3CCCC3=O 1 2.499 2 3 -8.2657382161775 24978679 CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3)OC4=CC(=CC=C4)Cl 1 3.482 3 5 0 -21.7394864105713 24978678 CCOC1=C(C=C(C=C1)CCNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3OCC)OCC 1 3.211 2 5 0 -18.9653987475183 24978677 CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=C(C(=CC=C3)OC)OC 1 3.068 1 5 -13.8092901460654 24978676 C1CC(=O)N(C1)CCCNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 1.241 3 4 0 -23.8580562111794 24978675 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C 1 2.227 3 5 0 -18.7466734413487 24978674 CC1=CC(=NO1)NC(=O)CSCC(=O)N(C)CC2=C(C(=CC=C2)OC)OC 1 1.386 3 5 0 -21.8253334656474 24978673 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CCOC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC.Cl Cl- 1 3.243 5 6 0 -24.9045786543295 24892653 CCC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC4=C(C=C3)N=CS4.Cl Cl- 1 4.611 4 1 -6.62291813187982 24892652 CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=COCCO3.Cl Cl- 1 2.163 3 3 -1.88820386827961 24892650 CCOC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC4=C(CCCC4)C=C3.Cl Cl- 1 5.492 3 2 -9.31677923957634 24892648 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5.Cl Cl- 1 2.22 4 6 0 -22.4612952444076 24892646 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCCN(C)C)C3=NC4=CC5=C(C=C4S3)OCO5.Cl Cl- 1 4.464 4 5 0 -15.6474132273452 24892644 CCOC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4.Cl Cl- 1 4.754 4 4 0 -21.949168278567 24892642 CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4.Cl Cl- 1 3.911 4 3 0 -15.5616102510578 24892641 CC1=CC(=NO1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)Br 1 2.961 6 4 0 -20.9347725119069 24892640 COC1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC=CO3 1 2.391 3 3 -11.638652474132 24892639 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)C(=O)C(=O)N(CC)C3CCCCC3 1 3.799 3 3 -14.8977515661384 24892638 CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 3.354 3 4 0 -7.90442021559076 24892636 COC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)NCC4=CC=CC=C4)SC5CCCCC5.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 6.832 3 1 0.11371071599118 24892634 CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4CCCCC4.Cl Cl- 1 5.743 4 3 0 -6.14296238582382 24892633 C1CC(OC1)CNC(=O)CSC2=NN=C(S2)NC(=O)C3=C(C=CC=C3F)F 1 2.001 4 3 0 -29.7447122597073 24892631 CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)OCC)C(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O.Cl Cl- 1 3.775 4 4 0 -16.8235742462618 24892629 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4CCCCC4.Cl Cl- 1 5.241 4 4 0 -8.18719853234462 24892628 CN1C2=C(C(=NC(=N2)C3=CC=CC=C3F)SCC(=O)N4CCCCC4)C(=O)N(C1=O)C 1 2.826 5 3 0 -17.2869318612132 24892626 CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4.Cl Cl- 1 4.908 4 3 0 -18.2750081371261 24892624 CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3=CC4=C(CCCC4)C=C3.Cl Cl- 1 6.281 3 1 -5.40838153240618 24892622 CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 4.732 3 3 -7.05038031755586 24892620 CN(C)CCCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54.Cl Cl- 1 5.079 4 3 0 -19.4812187998538 24892618 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN(C)C)C3=NC4=C(S3)C=CC(=C4C)C.Cl Cl- 1 4.116 4 4 0 -20.2467455733958 24892616 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC4=C(CCCC4)C=C3.Cl Cl- 1 5.779 3 2 -7.59245558314861 24892614 CCOC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 3.703 3 4 0 -10.842343999044 24892612 CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4=CC=CC=C4.Cl Cl- 1 4.68 4 4 0 -13.5186983551812 24892610 CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC.Cl Cl- 1 3.915 5 5 0 -21.0287115734907 24892608 CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4CCCCC4)C.Cl Cl- 1 5.594 4 3 0 -8.33007389773271 24892606 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4.Cl Cl- 1 4.343 4 3 0 -17.2883925620972 24892605 CC(C)CC(=O)NC1=NN=C(S1)SCC(=O)NC2CCCCC2 1 2.8 4 2 -25.5570624304151 24892604 CCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3CCCO3 1 1.923 4 4 0 -29.3190735002421 24892602 CCCCCCSC1=C(C=CC(=C1)C2=C(N3C=C(C=CC3=N2)Cl)NCCCC)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 7.624 3 1 -4.91074294146692 24892601 COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4)OC 1 2.62 6 3 0 -20.9005010149625 24892599 CCC1C(=O)N(C2=C(N1)N=CN=C2N3CCN(CC3)C4=CC=CC=C4)CC5=CC=C(C=C5)Br.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.461 6 1 0 0.449747916789767 24892598 C1=CC=C(C(=C1)C(=O)O)C(=O)OCCCC2=CC=NC=C2 1 2.525 1 4 -6.71088899110201 24892597 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3COC4=CC=CC=C4O3.Cl Cl- 1 1.402 3 4 0 -7.42713729602168 24892596 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCOC)NC4=CC=CC=C43 1 2.447 5 4 0 -20.0561026114187 24892595 COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC(=CC=C4)F 1 3.532 4 3 0 -15.2477527466392 24892594 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=O)C3=CN(C4=CC=CC=C43)CC(=O)N5CCOCC5 1 2.106 5 6 0 -16.0538823804276 24892592 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCCN(C)C)C3=NC4=C(S3)C=CC(=C4)OC.Cl Cl- 1 4.68 4 4 0 -15.738426245328 24892591 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(=O)C3=CN(C4=CC=CC=C43)CC(=O)N5CCCCCC5 1 3.881 4 4 0 -12.8041543524389 24892589 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4COC5=CC=CC=C5O4.Cl Cl- 1 3.188 3 5 0 -5.19298695794519 24892587 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)CCS(=O)(=O)C4=CC=CC=C4.Cl Cl- 1 3.041 3 5 0 -14.7358160883775 24892585 CN(C)CCCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4.Cl Cl- 1 3.208 4 4 0 -20.2396570267725 24892583 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC5=C(CCCC5)C=C4.Cl Cl- 1 4.928 3 3 -9.01228629199261 24892581 CCOC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4.Cl Cl- 1 3.557 4 4 0 -20.4531369563735 24892579 CCOC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4.Cl Cl- 1 5.383 3 3 -8.11783433371107 24892577 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5.Cl Cl- 1 3.923 4 5 0 -21.9484136765263 24892575 CN(C)CCCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4.Cl Cl- 1 3.636 4 3 0 -16.5164860280368 24892573 CN(C)CCCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)CCS(=O)(=O)C3=CC=CC=C3.Cl Cl- 1 3.24 3 5 0 -14.4654632252628 24892572 C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)NC3=NN=C(S3)SCC(=O)N 1 0.503 5 3 0 -18.6574064592257 24892571 CCOC(=O)C1CCN(CC1)C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4 1 2.944 3 5 0 -19.8361069264552 24892570 CC1CCCN(C1)C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4 1 3.504 3 3 -16.104559805841 24892569 C1CC(OC1)CNC(=O)CSC2=NN=C(S2)NC(=O)C3=C(C=CC(=C3)Br)Cl 1 3.003 4 3 0 -25.7617530653924 24892567 CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54.Cl Cl- 1 5.357 4 3 0 -17.7817729192719 24892566 CC1=CC=C(C=C1)C[N+]2=CC=CC=C2.[Br-] Br- 1 3.504 1 0 2.91870232588916 24892565 CC1=NN=C2N(C1=O)N=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC 1 2.291 5 4 0 -15.1248027622146 24892563 CCN(CC)CCN(C1=NC2=CC3=C(C=C2S1)OCCO3)C(=O)C4=CC5=C(C=CC6=CC=CC=C65)OC4=O.Cl Cl- 1 5.006 3 5 0 -7.99989333897247 24892562 CN(C)C1=CC=[N+](C=C1)CC(C[N+]2=CC=C(C=C2)N(C)C)O.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 2.501 4 1 -1.4535981130753 24892561 CCOC(=O)C1=CC(=CC=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.353 1 2 -3.06833496501102 24892559 CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4.Cl Cl- 1 5.364 4 3 0 -18.9289858874468 24892558 C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)N4CCN(CC4)C=O 1 0.95 4 4 0 -16.2927643909078 24892557 CC1=CC(=[N+](C=C1)CC2=CC=CC=C2)N.[Cl-] Cl- 1 2.882 2 0 3.85814330934678 24892555 CCCCCCSC1=CC=C(C=C1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)CC)[C@](N2)(CC(C)C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.787 2 4 -3.67041243699852 24892554 CC(C)C[C@@]1([C@@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)C4=CC=C(C=C4)OC)C(=O)N(C2=O)C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.157 2 5 0 2.93008314383413 24892552 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC(=C(C=C4)Cl)Cl)(CC5=CC=CC=C5)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 5.175 2 4 6.80017564718374 24892550 CCCCCCSC1=CC=C(C=C1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)CC)[C@](N2)(C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.555 2 4 -3.77806478430911 24892548 CC(C)C[C@@]1([C@@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)C4=CC(=CC=C4)Cl)C(=O)N(C2=O)C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.838 2 4 8.92440910386075 24892546 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC(=C(C=C3)C4=CC=CC=C4)OC)(CC5=CC=CC=C5)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.83 2 5 0 1.87254572854897 24892544 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC=C(C=C4)OC)(CC(C)C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.506 2 5 0 1.49757062448791 24892542 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC=C(C=C4)OC)(C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 2.274 2 5 0 1.38991827717731 24892540 CCCSC1=CC=C(C=C1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)CC)[C@](N2)(CC4=CC=CC=C4)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.742 2 4 -0.353265044675435 24892538 CC1=CC2=NC(=C(N2C=C1)NC3CCCCC3)C4=CC(=C(C=C4)C5=CC=C(C=C5)C(=O)C)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 6.451 3 2 -5.95684809716954 24892536 CC1=CC2=NC(=C(N2C=C1)NC3CCCCC3)C4=CC=CC(=C4)C5=CC(=CC=C5)Cl.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 7.392 3 0 2.86849649513908 24892534 CCC(C)SC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)NC4CCCCC4.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 7.001 3 0 -2.43545680811905 24892532 C1CCC(CC1)NC2=C(N=C3N2C=CN=C3)C4=CC=C(C=C4)SC5CCCCC5.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 5.973 4 0 5.96817230614173 24892531 C1=CC=C2C(=C1)N=NN2/C=C/C3=CC=CN3 1 2.544 4 0 0.789268235388413 24892529 CCC(C)SC1=C(C=CC(=C1)C2=C(N3C=C(C=CC3=N2)C)NCC4=CC=CC=C4)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 6.71 3 1 -3.75673823721877 24892527 CCCCNC1=C(N=C2N1C=C(C=C2)Cl)C3=CC(=C(C=C3)SC4CCCCC4)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 7.242 3 1 0.318999187694939 24892525 CCCCNC1=C(N=C2N1C=C(C=C2)C)C3=CC=CC(=C3)C4=CC=C(C=C4)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 6.182 3 1 2.87376303054949 24892523 CC1C(=O)N(C2=C(N1)N=CN=C2N3CCN(CC3)C4=CC=CC=N4)CC5=CC=CC=C5.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 2.578 7 1 0 -0.679705981624879 24892521 C1CN(CCN1C2=CC=CC=C2)C3=NC=NC4=C3N(C(=O)C(N4)CC5=CC=CC=C5)CC6=CC=CC=C6.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.745 6 1 0 0.648408169790158 24892519 CC(C)CC1C(=O)N(C2=C(N1)N=CN=C2N3CCCCC3)CC4=CC=C(C=C4)Br.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.457 5 1 -5.05314314699591 24892517 CC(C)CC1C(=O)N(C2=C(N1)N=CN=C2N3CCOCC3)CC4=CC=C(C=C4)Br.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.228 5 2 0 -6.64222926970868 24892515 CC1=CC=C(C=C1)CN2C(=O)C(NC3=C2C(=NC=N3)N4CCN(CC4)C5=CC=CC=N5)CC(C)C.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.296 7 1 0 -3.11923890431108 24892513 CC(C)CC1C(=O)N(C2=C(N1)N=CN=C2N3CCN(CC3)C4=CC=CC=C4)CC5=CC=C(C=C5)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.405 6 2 0 -2.6818104197503 24892511 C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCCCCC[NH3+].[Cl-] Cl- 1 -0.108 5 4 0 -18.9190235634874 24892509 C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CC[NH2+]CC3.[Cl-] Cl- 1 -0.976 5 4 0 -15.1762087622528 24892507 CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CC[NH2+]CC3.[Cl-] Cl- 1 0.256 5 4 0 -18.3688258814788 24892505 CCN(CC)CCN(C1=NC2=C(C=C(C=C2S1)C)C)C(=O)CCS(=O)(=O)C3=CC=CC=C3.Cl Cl- 1 4.88 3 3 -10.1220990511345 24892504 CC1=C(C=[N+](C=C1)CC2=CN=C(N=C2N)C)C.[Cl-] Cl- 1 1.959 4 0 0 -0.124139978123919 24892502 C1CN(CC[NH2+]1)C(=O)C2=C(N=CN2)C(=O)NCC(=O)OCC3=CC=CC=C3.[Cl-] Cl- 1 -1.46 5 4 0 -16.8475622432578 24892501 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)C(=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.116 5 5 0 -15.9223808895856 24892500 COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC=CC=C4OC 1 3.31 4 4 0 -20.4727190814031 24892499 C1=CC=C(C=C1)OCC(CCC2=CC=NC=C2)O 1 2.513 1 2 -0.5930903078759 24892498 CC1=CC2=C(C=CC=[N+]2CC3=CC=CC=C3)C=C1.[Br-] Br- 1 4.704 1 0 4.55671227232859 24892497 C1COCCN1C(=O)[C@H](CC2=CC=CC=C2)[NH3+].[Cl-] Cl- 1 -0.659 2 2 0 -6.1080329960166 24892496 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(C)C(C(=O)O)[NH3+])C.CC(=O)[O-] CC(=O)[O-] 1 3.297 2 4 -5.38672134650181 24892495 C[C@H]1[C@H](O[C@H](N1C)C2=CC=CC=C2Br)C3=CC=CC=C3 1 4.529 1 1 -0.368549186997131 24892494 CCOC(C[N+]1=C(C=C(C=C1C2=CC=CC=C2)C)C3=CC=CC=C3)OCC.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 6.175 1 2 3.10522130735521 24892493 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)F)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.361 1 0 10.4994014571029 24892492 CCC1(C(=O)N(N1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C2=CC=CC=C2 1 4.128 2 5 0 -5.83257186874568 24892490 C1C[NH2+]CCC1NC(=O)C2=C(N=CN2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4.[Cl-] Cl- 1 0.528 5 4 0 -15.3207276148325 24892488 CC(C)CC1C(=O)N(C2=C(N1)N=CN=C2N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.421 6 1 0 -3.376690577434 24892486 CC(C)CC1C(=O)N(C2=C(N1)N=CN=C2N3CCOCC3)CC4=CC=C(C=C4)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 2.463 5 3 0 -7.4205344243382 24892484 CCC1C(=O)N(C2=C(N1)N=CN=C2N3CCN(CC3)C4=CC=CC=C4)CC5=CC=C(C=C5)Cl.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.377 6 1 0 1.90640766189121 24892482 CCC1C(=O)N(C2=C(N1)N=CN=C2N3CCOCC3)CC4=CC=C(C=C4)C.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 2.258 5 2 0 -4.65431503328351 24892480 CCC1C(=O)N(C2=C(N1)N=CN=C2N3CCCCC3)CC4=CC=CC=C4.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.001 5 1 -3.88004381535033 24892478 C1CN(CC2=CC=CC=C21)C3=NC=NC4=C3N(C(=O)C(N4)CC5=CC=CC=C5)CC6=CC=C(C=C6)Cl.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 5.438 5 1 -1.83578276935005 24892476 C1CCN(CC1)C2=NC=NC3=C2N(C(=O)C(N3)CC4=CC=CC=C4)CC5=CC=C(C=C5)Cl.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.697 5 1 0.721646807377935 24892474 CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC(=C(C=C4)C5=CC=C(C=C5)OC)OC)C=C1.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 6.695 3 2 0.591610259081576 24892472 CC1=CN2C(=NC(=C2NCC3=CC=CC=C3)C4=CC=CC(=C4)C5=CC(=CC=C5)Cl)C=C1.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 7.117 3 0 5.71188924401569 24892470 CCCCNC1=C(N=C2N1C=C(C=C2)C)C3=CC(=C(C=C3)SC(C)CC)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 6.455 3 1 -4.83382789331858 24892468 CCC(C)SC1=CC=CC(=C1)C2=C(N3C=C(C=CC3=N2)C)NC4CCCCC4.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 7.001 3 0 -2.08240351274716 24892466 CCCCCCSC1=CC=CC(=C1)C2=C(N3C=C(C=CC3=N2)Cl)NCC4=CC=CC=C4.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 7.896 3 0 -1.81056344515753 24892464 CCCCCCSC1=C(C=CC(=C1)C2=C(N3C=CN=CC3=N2)NCC4=CC=CC=C4)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 6.064 4 1 -3.9752269787171 24892462 CCCCNC1=C(N=C2N1C=C(C=C2)Cl)C3=CC(=CC=C3)SC4CCCCC4.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 7.258 3 0 4.05540765804014 24892460 CCC(C)SC1=C(C=C(C=C1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)CC)[C@](N2)(CC4=CC=CC=C4)C(=O)OC)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.103 2 5 0 -4.15714227204676 24892458 CCC(C)SC1=C(C=C(C=C1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)C)[C@](N2)(C)C(=O)OC)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 2.199 2 5 0 -5.444153045708 24892456 CCC(C)SC1=CC=C(C=C1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)C)[C@](N2)(CC4=CC=CC=C4)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.771 2 4 0.337125828524869 24892454 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC(=C(C=C3)SC4CCCCC4)OC)(CC5=CC=CC=C5)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.712 2 5 0 0.450852848910686 24892452 CC(C)C[C@@]1([C@@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)C4=CC5=C(C=C4)OCO5)C(=O)N(C2=O)C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 2.941 2 6 0 3.34137223102169 24892450 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC=CC=C4)(CC5=CC=CC=C5)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.846 2 4 4.20639132370724 24892448 CN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC=CC=C4)(CC5=CC=CC=C5)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.498 2 4 5.63890384305347 24892446 CC(C)C[C@@]1([C@@H]2[C@H]([C@H](N1)C3=CC(=C(C=C3)C4=CC=C(C=C4)F)OC)C(=O)N(C2=O)C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.362 2 5 0 2.39091150923417 24892444 CN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC=C(C=C4)F)(CC5=CC=CC=C5)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.703 2 4 6.2797251720238 24892442 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC(=C(C=C3)C4=CC(=C(C=C4)Cl)Cl)OC)(CC5=CC=CC=C5)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 5.159 2 5 0 4.8233421511375 24892440 CN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC(=C(C=C4)Cl)Cl)(CC5=CC=CC=C5)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.826 2 4 8.23268816652997 24892438 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC(=C(C=C3)C4=CC=C(C=C4)C(=O)C)OC)(CC5=CC=CC=C5)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.57 2 6 0 -1.07458892388426 24892436 CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)N2CC[NH2+]CC2.[Cl-] Cl- 1 -0.396 5 4 0 -20.8172485390552 24892434 CC(C)(C)OC(=O)CNC(=O)C1=C(NC=N1)C(=O)N2CC[NH2+]CC2.[Cl-] Cl- 1 -2.112 5 4 0 -18.3674177254973 24892433 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4)OC 1 3.049 6 3 0 -18.0141482139754 24892432 COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4)OC 1 3.049 6 3 0 -18.7755886588272 24892431 CC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)COC4=CC=CC=C4OC 1 2.772 3 5 0 -9.57914449512161 24892429 CN(C)CCCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4=CC=CC=C4.Cl Cl- 1 4.331 4 4 0 -11.2291651810529 24892427 CN(C)CCCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54.Cl Cl- 1 4.855 4 4 0 -21.2424531311119 24892425 CN(C)CCCN(C1=NC2=CC(=C(C=C2S1)OC)OC)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4.Cl Cl- 1 5.018 3 4 0 -8.72962510254732 24892423 CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCCN(C)C)C3=NC4=CC5=C(C=C4S3)OCO5.Cl Cl- 1 4.35 4 5 0 -16.5853722676036 24892421 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)CC5=CC=CC=C5.Cl Cl- 1 4.115 4 5 0 -11.1381521630701 24892419 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCCN(C)C)C3=NC4=C(S3)C=CC=C4Cl.Cl Cl- 1 3.871 4 4 0 -20.7411290190483 24892417 CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4CCCO4.Cl Cl- 1 3.455 4 5 0 -18.9110812741564 24892415 CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4.Cl Cl- 1 4.47 4 4 0 -22.7862644885441 24892413 CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54.Cl Cl- 1 5.814 4 3 0 -18.4357506695926 24892411 CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4.Cl Cl- 1 4.623 4 3 0 -17.1334453291006 24892409 CCN(CC)CCN(C1=NC2=CC(=C(C=C2S1)OC)OC)C(=O)C3=CC4=C(CCCC4)C=C3.Cl Cl- 1 5.762 3 3 -9.30334902165724 24892407 CCN(CC)CCN(C1=NC2=CC(=C(C=C2S1)OC)OC)C(=O)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 4.035 3 5 0 -9.89112042787835 24892405 CCN(CC)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC5=CC=CC=C5C=C4.Cl Cl- 1 4.958 3 3 -2.5292591712532 24892403 CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)OCC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4.Cl Cl- 1 4.192 4 4 0 -21.5882756844135 24892401 CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4.Cl Cl- 1 5.67 3 3 -6.62991710647351 24892399 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC4=C(CCCC4)C=C3.Cl Cl- 1 6.281 3 1 -5.01739811138004 24892398 CC(C)N(C(C)C)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NC3=CC=CC(=C3)NC(=O)C 1 2.33 4 5 0 -16.2279537047133 24892397 CCOC(=O)N1CCN(CC1)C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4 1 2.477 4 5 0 -16.9420951003629 24892396 CCN1CCN(CC1)C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4 1 2.574 4 3 0 -15.5107852002965 24892395 CC1=CC=C(C=C1)CNC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 2.446 3 4 0 -18.4366454204373 24892394 C1CCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 1.759 4 5 0 -22.582170334618 24892393 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CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC(=C(C=C3)C4=CC5=C(C=C4)OCO5)OC)(CC6=CC=CC=C6)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.598 2 7 0 2.32559785811894 24892297 C[C@@]1([C@@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(C2=O)C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 1.942 2 4 0 3.4307113153014 24892295 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC(=C(C=C4)Cl)Cl)(C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.619 2 4 4.29895165738343 24892293 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC(=C(C=C3)C4=CC(=CC=C4)Cl)OC)(CC5=CC=CC=C5)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.494 2 5 0 6.97263692957485 24892292 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC(=C(C=C3)C4=CC5=C(C=C4)OCO5)OC)(CC(C)C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.274 2 7 0 -6.79737843707774e-002 24892290 C[C@@]1([C@@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)C4=CC=C(C=C4)F)C(=O)N(C2=O)C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 2.147 2 4 3.77850118222349 24892288 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC(=C(C=C4)Cl)Cl)(CC(C)C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.851 2 4 4.40660400469403 24892286 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC(=CC=C4)Cl)(C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 2.955 2 4 7.38424423720393 24892284 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC(=C(C=C3)C4=CC=C(C=C4)F)OC)(C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 2.48 2 5 0 0.850746642577355 24892282 C[C@@]1([C@@H]2[C@H]([C@H](N1)C3=CC(=C(C=C3)C4=CC(=C(C=C4)Cl)Cl)OC)C(=O)N(C2=O)C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.254 2 5 0 3.75463068068341 24892280 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC(=CC=C4)Cl)(CC5=CC=CC=C5)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.511 2 4 9.78807400047946 24892278 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC(=C(C=C3)C4=CC=C(C=C4)OC)OC)(C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 2.258 2 6 0 -0.1053237431226 24892276 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC=CC=C4)(C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 2.29 2 4 1.99819879595518 24892274 CC(C)C[C@@]1([C@@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)C4=CC=C(C=C4)F)C(=O)N(C2=O)C)C(=O)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.379 2 4 3.88615352953408 24892273 C[N+]1=CC=C(C2=CC=CC=C21)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.152 1 0 5.09763422268283 24892272 CC(C)(CC1=CC=CC=C1)/[N+](=C\C2=CC=CC=C2)/[O-] 1 3.408 1 1 0.307777643860538 24892271 CC(C)(CC1=CC=CC=C1)/[N+](=C\C2=CC=C(C=C2)C(F)(F)F)/[O-] 1 4.35 1 1 4.21511197539997 24892270 CC(CC1=CC=CC=C1)/[N+](=C\C2=CC=C(C=C2)C(F)(F)F)/[O-] 1 4.145 1 1 6.53373541374372 24892269 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2O)C3=CC=CC=C3)C4=CC=CC=C4O)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 7.665 1 2 5.72034844306621 24892267 C1=CC=NC(=C1)CC[N+]2=CC=C(C=C2)C(CCC#N)(CCC#N)CCC#N.[Cl-] Cl- 1 3.382 5 0 -1.35941616617804 24892266 C1=CC=C(C=C1)C[N+]2=CC(=CC3=CC=CC=C32)Br.[Br-] Br- 1 4.966 1 0 5.13984519388452 24892265 CC1=CC=CC=C1C[N+]2=CC=CC3=CC=CC=C32.[Br-] Br- 1 4.704 1 0 1.73550773696339 24892264 C[N+]1=CC=CC(=C1SCC2=CC=CC=C2)O.[Br-] Br- 1 3.442 1 1 -0.519264593906519 24892263 CN(C)C1=CC=[N+](C=C1)CC[N+]2=CC=C(C=C2)N(C)C.[Br-] Br- 1 3.012 4 0 0.988061832871404 24892262 C1=CC=C(C=C1)C(C[N+]2=CC=CC(=C2)O)O.[Br-] Br- 1 2.265 1 2 0.290580588446077 24892261 C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)N.[Cl-] Cl- 1 2.881 2 0 3.5317179237233 24892260 C1=CC=C2C(=C1)N=NN2/C=C/C3=CC=CC=N3 1 2.437 4 0 -0.42350512536478 24892258 C1=CC=C(C=C1)/C=C\[N+]2=CC=CC(=C2)O.[Br-] Br- 1 2.711 1 1 3.09045311014973 24892257 C1=CC=C(C=C1)CSC2=C(C=CC=[NH+]2)O.[Br-] Br- 1 3.236 1 1 0.305039233696489 24892256 CC1=CC(=[N+](C(=C1)C)CCCC[N+]2=C(C=C(C=C2C)C)C)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.884 2 0 3.64276819459421 24892255 COC1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C=[N+]2CC(=O)O)OC)OC.[Cl-] Cl- 1 3.585 1 5 -1.76223606139426 24892254 COC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3.[Br-] Br- 1 2.934 3 2 -1.21747761736163 24892253 CCCOC(=O)C1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.877 1 2 -4.38231492508483 24892251 COC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.132 1 1 0.921794565347511 24892250 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC(=O)NCC4=CC=C(C=C4)F 1 1.657 3 5 0 -20.3666610774352 24892249 COC1=CC(=CC=C1)OCC(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)F 1 2.491 3 5 0 -5.98623411265955 24892248 CN1C(=O)C2=C(CCS2)N=C1SCC(=O)NCC3CCCO3 1 0.37 3 3 0 -22.785667761929 24892247 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CN(CC4)C)C(=O)OC.Cl Cl- 1 1.808 4 7 0 -31.4856865044894 24892245 CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54.Cl Cl- 1 4.558 4 3 0 -17.0526953416149 24892244 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=C(CCCC4)C=C3.Cl Cl- 1 3.142 3 2 -11.6916891864837 24892243 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(O3)Br 1 1.892 5 4 0 -22.9089239183972 24892242 COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CSC3=NCCS3)C4=CC=CS4 1 4.218 3 3 -17.6880543711574 24892241 CC(C)C1=NC2=C(C(=N1)SCC(=O)NC3CCCCC3)C(=O)N(C(=O)N2C)C 1 2.821 5 3 0 -22.3425850144402 24892240 C1CC(OC1)CNC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Cl 1 2.255 4 3 0 -25.6669706952452 24892239 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)OC)OC 1 1.896 5 5 0 -22.5404889490522 24892238 COCCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 3.513 2 4 -13.0190669600261 24892237 CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NCCS3)C4=CC=CS4 1 4.737 3 1 -13.1926981561556 24892236 COCCN1C2=CC=CC=C2SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 3.308 2 4 -12.9793659180366 24892234 CN1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCS(=O)(=O)C3=CC=CC=C3.Cl Cl- 1 2.108 2 5 0 -22.8696283913161 24892233 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)F 1 2.134 5 3 0 -21.677033218846 24892232 C1CC(OC1)CNC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.485 5 5 0 -31.9955831504182 24892231 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3CCCO3 1 2.991 4 3 0 -25.5617499902786 24892230 CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4CCCO4 1 3.15 3 6 0 -31.1190127684126 24892229 C1CCC(C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.528 5 4 0 -26.6916570477512 24892228 COCCN1C2=C(C=CC(=C2SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)OC)OC 1 3.275 2 6 0 -15.8823892300368 24892227 CC1CCC2=C(C1)SC(=C2C(=O)NC)NC(=O)C3=COCCO3 1 1.158 2 4 0 -19.1860340670417 24892226 COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)N2CC(=O)OC 1 3.113 2 7 0 -17.3867846941714 24892225 CC1CCC2=C(C1)SC(=C2C(=O)NC)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 2.404 3 4 0 -25.2285385881725 24892224 CC(C)C1=NC2=C(C(=N1)SCC(=O)NCC3CCCO3)C(=O)N(C(=O)N2C)C 1 1.321 5 4 0 -27.2920426029392 24892223 CC1=CC=CC=C1N2C=CN=C2SCC(=O)NCC3CCCO3 1 2.488 3 2 -17.9669038831336 24892222 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CO3 1 1.324 5 4 0 -21.5957139339485 24892221 COCCN1C(=O)C2=C(CCS2)N=C1SCC(=O)NCC3CCCO3 1 0.24 3 4 0 -26.6667889877288 24892220 CCOC(=O)CNC(=O)CSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 9.2e-002 5 7 0 -44.1634326679551 24892219 CC1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3CCCO3)C 1 2.563 4 3 0 -28.905780436888 24892218 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.17 4 5 0 -21.0671066227094 24892217 COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3CCCO3)OC 1 1.557 4 5 0 -33.1108544889963 24892216 COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC=CO3)OC 1 1.964 4 5 0 -30.681418130919 24892215 COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4)OC 1 2.62 6 3 0 -18.8569016715177 24892214 COC1=CC=C(C=C1)C2=NN3C(=NN=C3SCC(=O)NCC4CCCO4)C=C2 1 2.57 5 3 0 -21.8134949593471 24892212 CN(C)CCCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4.Cl Cl- 1 4.389 4 5 0 -21.3743224678686 24892210 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCCN(C)C)C3=NC4=C(C=C(C=C4S3)C)C.Cl Cl- 1 4.179 4 4 0 -18.5372514582415 24892208 CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4.Cl Cl- 1 4.892 4 4 0 -20.673152292332 24892206 CC1=CC(=C2C(=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C.Cl Cl- 1 5.11 4 3 0 -16.5146164724701 24892204 CN(C)CCN(C1=NC2=CC(=C(C=C2S1)OC)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4CCCO4.Cl Cl- 1 3.027 4 6 0 -16.6431852644558 24892202 CN(C)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)CC5CCCO5.Cl Cl- 1 2.828 4 6 0 -15.7269015480359 24892200 CN(C)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5.Cl Cl- 1 4.757 3 4 0 -6.91231362559302 24892199 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 4.554 3 3 -5.60516951760115 24892197 CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O.Cl Cl- 1 3.493 4 3 0 -10.5129795829483 24892195 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC.Cl Cl- 1 4.094 5 5 0 -19.7495128364147 24892193 CN(C)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O.Cl Cl- 1 2.237 4 5 0 -8.02659900310952 24892192 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)SCC(=O)NCC3CCCO3 1 1.541 4 6 0 -32.1080929889518 24892191 C1=CC=C(C=C1)CN2C=CN=C2SCC(=O)NC3=CC=CC=C3 1 3.226 3 1 -12.3544835675991 24892190 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)CC3=CC=C(C=C3)F 1 2.169 5 3 0 -21.0121941821338 24892189 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)OC 1 1.912 5 4 0 -23.4623644915404 24892188 COC1=CC=C(C=C1)CN2C=CN=C2SCC(=O)NC3=CC=CC=C3 1 3.21 3 2 -11.6596034099154 24892187 CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3CCCO3)OCC 1 2.255 4 5 0 -34.3721638204677 24892186 C1CC(OC1)CNC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Br 1 2.339 4 3 0 -27.6980138248671 24892185 CNC(=O)CSC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3OC 1 0.487 5 4 0 -23.3242320670781 24892184 CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)N4CCOCC4 1 0.883 5 4 0 -21.9348438735568 24892182 CC1=CC(=C2C(=C1)SC(=N2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4CCCO4)C.Cl Cl- 1 4.033 4 4 0 -11.7384054975481 24892180 CN(C)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C5=CC=CC=C5.Cl Cl- 1 4.046 4 5 0 -12.1604769220532 24892179 CN(C)CCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC4=C(CCCC4)C=C3.Cl Cl- 1 5.081 3 2 -7.31582310781339 24892177 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN(C)C)C3=NC4=C(C=C(C=C4S3)F)F.Cl Cl- 1 5.038 4 3 0 -10.0082782880562 24892175 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4.Cl Cl- 1 5.67 3 3 -6.39351067728334 24892174 CN(C)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=CC5=CC=CC=C54.Cl Cl- 1 4.261 3 3 -2.63678189083663 24892172 CN(C)CCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4.Cl Cl- 1 3.146 4 4 0 -18.5920187288322 24892170 CN(C)CCN(C1=NC2=CC3=C(C=C2S1)OCCO3)C(=O)C4=CC5=CC=CC=C5C=C4.Cl Cl- 1 4.279 3 3 -3.69875355104268 24892168 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN(C)C)C3=NC4=C(C=CC=C4S3)C.Cl Cl- 1 3.396 5 5 0 -20.2228266910906 24892167 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=COCCO3.Cl Cl- 1 2.682 3 3 -3.74560102774682 24892166 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CC=CC=N4 1 2.577 5 2 0 -15.1537968202888 24892165 CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCCC4OCCO4 1 1.941 4 4 0 -16.0257781617205 24892164 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CN=CC=C4 1 2.362 5 2 0 -17.4722815507286 24892163 CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CC=CC=N4 1 2.577 5 2 0 -14.450646426581 24892162 CN1C2=C(C(=NC(=N2)C3=CC=CC=C3OC)SCC(=O)N4CCCCC4)C(=O)N(C1=O)C 1 2.604 5 4 0 -18.5375695130543 24892161 CC1CN(CC(O1)C)C(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)CC(C)C 1 1.856 5 4 0 -22.5080176462403 24892160 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCCN4CCOCC4 1 1.756 5 3 0 -17.4609927484981 24892159 CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CN=CC=C4 1 2.362 5 2 0 -16.6981123865332 24892157 CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4.Cl Cl- 1 4.942 4 3 0 -7.20921934250779 24892156 CN(C)CCN(C1=NC2=CC3=C(C=C2S1)OCCO3)C(=O)C4=CC=CS4.Cl Cl- 1 3.324 3 3 -8.56423300978152 24892154 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN(C)C)C3=NC4=C(S3)C=C(C=C4)Cl.Cl Cl- 1 3.575 5 5 0 -18.1104149801546 24892152 CN(C)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)CCS(=O)(=O)C4=CC=CC=C4.Cl Cl- 1 2.978 3 5 0 -13.8347883278432 24892150 CN(C)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC5=C(C=C4)OCCO5.Cl Cl- 1 3.138 3 5 0 -8.55184487414744 24892148 CCC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC.Cl Cl- 1 3.853 5 5 0 -20.1276838129564 24892146 CCN(CC)CCN(C1=NC2=CC(=C(C=C2S1)OC)OC)C(=O)CCS(=O)(=O)C3=CC=CC=C3.Cl Cl- 1 3.875 3 5 0 -15.0268788180422 24892144 CCN(CC)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC5=C(C=C4)OCCO5.Cl Cl- 1 3.836 3 5 0 -8.8276516479264 24892142 CCN(CC)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5.Cl Cl- 1 5.454 3 4 0 -7.18812039937199 24892140 CCN(CC)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC)C4=CC=CC=C4.Cl Cl- 1 5.292 4 5 0 -13.0230557294007 24892138 CCN(CC)CCN(C1=NC2=CC(=CC(=C2S1)C)C)C(=O)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 5.04 3 3 -6.37545640184451 24892137 C1COCCN1CCSC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 1.27 5 3 0 -17.7222959436403 24892136 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCCC4OCCO4 1 1.941 4 4 0 -17.916448555123 24892135 C1CC(OC1)CNC(=O)CSC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 0.862 5 4 0 -29.2947702468399 24892134 CN1C2=C(C(=NC(=N2)C3=CC=CC=C3F)SCC(=O)NC4=CC=CC=C4F)C(=O)N(C1=O)C 1 3.485 5 3 0 -17.857454656832 24892133 CC1=CC(=NO1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4OC 1 2.196 6 5 0 -26.3805599896828 24892132 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 1.2 6 4 0 -23.6564524395853 24892131 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4F 1 2.117 6 5 0 -17.5678612898618 24892130 CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CN=CC=C4 1 2.362 5 2 0 -15.6790053838509 24892129 C1COC(O1)CCSC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 1.455 4 4 0 -18.1777517502652 24892127 CCN(CC)CCN(C1=NC2=CC3=C(C=C2S1)OCCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5.Cl Cl- 1 2.872 4 6 0 -22.7554791816373 24892069 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5.Cl Cl- 1 4.819 3 4 0 -7.81334138612734 24892071 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCCN(C)C)C3=NC4=CC5=C(C=C4S3)OCO5.Cl Cl- 1 4.457 4 5 0 -14.5414640293435 24892073 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCCO3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-].Cl Cl- 1 4.48 4 5 0 -4.24302265931158 24892075 CN(C)CCCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4.Cl Cl- 1 4.406 4 4 0 -21.7356883489661 24892077 CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4=CC=CC=C4)C.Cl Cl- 1 5.32 4 3 0 -9.76017798827109 24892079 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4.Cl Cl- 1 4.627 4 3 0 -18.4299553701227 24892081 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCCN(C)C)C3=NC4=C(S3)C=C(C=C4)Br.Cl Cl- 1 4.807 4 3 0 -14.7504477936861 24892083 CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4.Cl Cl- 1 4.908 4 3 0 -18.9032236888987 24892085 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5.Cl Cl- 1 3.449 4 5 0 -20.5031125229579 24892087 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=C(SC(=C4)Cl)Cl.Cl Cl- 1 3.995 3 3 -4.36778640345026 24892089 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)COC4=CC=CC=C4.Cl Cl- 1 3.25 3 4 0 -7.15092800574445 24892090 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCCN(C)C)C3=NC4=C(S3)C=CC(=C4C)C.Cl Cl- 1 5.668 4 3 0 -14.2694390525462 24892092 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCCN4CCOCC4)C 1 2.242 5 3 0 -17.3393056839574 24892125 CCN(CC)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=C(SC(=C4)Cl)Cl.Cl Cl- 1 4.63 3 3 -3.74256541669491 24892123 CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5.Cl Cl- 1 6.22 4 1 -5.83485165984384 24892122 CCN(CC)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=COCCO3.Cl Cl- 1 2.163 3 5 0 -6.84491535848931 24892120 CCN(CC)CCN(C1=NC2=CC(=CC(=C2S1)C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4.Cl Cl- 1 4.832 4 3 0 -16.9240427124206 24892118 CCN(CC)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)CCS(=O)(=O)C4=CC=CC=C4.Cl Cl- 1 3.676 3 5 0 -14.1105951016222 24892116 CCN(CC)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O.Cl Cl- 1 2.934 4 5 0 -8.30240577688848 24892114 CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC.Cl Cl- 1 4.094 5 5 0 -20.2803341616624 24892112 CCN(CC)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC5=C(C=C4)N=CS5.Cl Cl- 1 4.134 4 3 0 -9.42797104068521 24892110 CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4.Cl Cl- 1 2.938 4 4 0 -19.0916280505504 24892109 COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)NC4CCCC4 1 1.889 5 4 0 -23.4491444484072 24892108 COC(=O)CSC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 1.356 4 4 0 -21.0016811293461 24892107 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CN=CC=C4 1 1.86 5 3 0 -17.8852477598727 24892106 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)OC 1 1.184 6 5 0 -23.1147527438197 24892105 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)NCC4CCCO4 1 0.845 5 5 0 -29.4464332608418 24892104 COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)N4CCCC4 1 1.154 5 4 0 -21.6223528023923 24892102 CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCCN(C)C)C(=O)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 3.902 3 4 0 -8.48869675534078 24892100 CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O.Cl Cl- 1 3.426 4 4 0 -14.1031240644595 24892099 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)NCC4=CC=CO4 1 1.252 5 5 0 -27.0169969027645 24892098 COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCCC4OCCO4 1 1.439 4 5 0 -17.6360520544996 24892097 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)NC4CCCC4 1 1.889 5 4 0 -24.1425071581748 24892096 COC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)NCC4CCCO4 1 0.845 5 5 0 -30.4946322804937 24892095 COC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)N4CCCC4 1 1.154 5 4 0 -23.3639145318118 24892094 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F 1 1.406 6 4 0 -22.6832722189778 24892093 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)N4CCOCC4 1 0.38 5 5 0 -24.2384804761035 24892067 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCCN(C)C)C3=NC4=C(C=CC=C4S3)OCC.Cl Cl- 1 5.028 4 4 0 -17.8096601162491 24892065 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4.Cl Cl- 1 4.885 4 3 0 -16.8171065257602 24892063 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5.Cl Cl- 1 5.939 4 1 -5.98979889284044 24892061 CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4CCCCC4.Cl Cl- 1 5.564 4 3 0 -6.99235862899521 24892059 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54.Cl Cl- 1 5.077 4 3 0 -17.9367201522685 24892057 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCCN(C)C)C3=NC4=C(S3)C=CC(=C4C)C.Cl Cl- 1 3.945 5 5 0 -22.5847261454353 24892055 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCCO3)C(=O)COC4=CC=C(C=C4)Cl.Cl Cl- 1 3.932 3 4 0 -6.28599645675727 24891998 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCCO3)C(=O)C4=CC=C(S4)[N+](=O)[O-].Cl Cl- 1 3.405 4 5 0 -4.44326584041648 24892000 CN(C)CCCN(C1=NC2=CC(=C(C=C2S1)OC)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4.Cl Cl- 1 4.389 4 5 0 -22.5609590474033 24892002 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCCN(C)C)C3=NC4=C(S3)C=C(C=C4)Cl.Cl Cl- 1 3.637 5 5 0 -19.0114427406889 24892004 CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4.Cl Cl- 1 4.167 4 3 0 -17.4329545652532 24892006 CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4.Cl Cl- 1 5.383 3 3 -10.1938875782384 24892008 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4=CC=CC=C4.Cl Cl- 1 4.553 4 3 0 -9.70395877615988 24892010 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(O4)[N+](=O)[O-].Cl Cl- 1 2.829 4 6 0 -5.91366878049597 24892012 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC5=CC=CC=C5C=C4.Cl Cl- 1 4.323 3 3 -3.15448015800856 24892014 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCCO3)C(=O)C4=CC=C(S4)Br.Cl Cl- 1 3.954 3 3 -6.66728268845201 24892015 CN(C)CCCN(C1=NC2=CC(=C(C=C2S1)OC)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4CCCCC4.Cl Cl- 1 4.589 4 5 0 -10.6243317889517 24892017 CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C.Cl Cl- 1 3.424 4 4 0 -21.0833210696086 24892019 CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4.Cl Cl- 1 3.557 4 4 0 -22.431795974376 24892053 CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4.Cl Cl- 1 4.754 4 4 0 -24.0252215230943 24892051 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1 5.286 4 3 0 -4.7567904929863 24892027 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4.Cl Cl- 1 2.657 4 4 0 -19.246575283547 24892025 CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C.Cl Cl- 1 5.11 4 3 0 -19.1251383481588 24892023 CN(C)CCCN(C1=NC2=CC(=C(C=C2S1)OC)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54.Cl Cl- 1 4.382 4 5 0 -22.0847267794298 24892021 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCCN(C)C)C3=NC4=C(C=CC=C4S3)F.Cl Cl- 1 4.902 4 3 0 -14.2132198404349 24891996 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4.Cl Cl- 1 4.627 4 3 0 -20.2104819440731 24891994 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4.Cl Cl- 1 4.406 4 4 0 -21.0864720380848 24891992 CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4.Cl Cl- 1 5.993 3 2 -5.09765194259079 24891990 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54.Cl Cl- 1 4.621 4 3 0 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OC(=O)C(F)(F)F 1 7.717 3 0 -4.11468828638276 24891774 CCCCNC1=C(N=C2N1C=CC(=C2)C)C3=CC(=C(C=C3)OC)SC4CCCCC4.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 7.063 3 1 -2.38484879826851 24891772 CCCCNC1=C(N=C2N1C=CN=C2)C3=CC(=C(C=C3)OC)SC4CCCCC4.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 5.427 4 1 2.62442426357645e-003 24891770 COC1=C(C=C(C=C1)C2=C(N3C=CN=CC3=N2)NCC4=CC=CC=C4)SC5CCCCC5.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 5.681 4 1 1.69773652830876 24891768 CCCCNC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)SC(C)CC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 5.985 3 0 -3.91793113340533 24891766 CCC(C)SC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)NC4CCCCC4)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 6.498 3 1 -6.12538795013146 24891764 CCCCCCSC1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)NCCCC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 6.976 3 0 -3.69303932090488 24891762 CCCCNC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)SC4CCCCC4.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 6.594 3 0 3.25497708064419 24891760 COC1=C(C=C(C=C1)C2=C(N3C=CC=CC3=N2)NC4CCCCC4)SC5CCCCC5.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 7.107 3 1 -0.914852270325662 24891758 CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)C1=C(NC=N1)C(=O)NCCCCC[NH3+].[Cl-] Cl- 1 -1.844 6 4 0 -24.4676711144313 24891756 CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NC2CC[NH2+]CC2.[Cl-] Cl- 1 -0.449 5 4 0 -21.0400829194874 24891754 CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCCCCC[NH3+].[Cl-] Cl- 1 0.796 5 4 0 -20.7854927606484 24891752 CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NC3CC[NH2+]CC3.[Cl-] Cl- 1 -0.125 5 4 0 -17.265512339846 24891750 C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)N2CC[NH2+]CC2.[Cl-] Cl- 1 -1.628 5 4 0 -17.2532804804338 24891748 C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NCCCCC[NH3+].[Cl-] Cl- 1 -0.76 5 4 0 -20.9960952816684 24891746 C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NC2CC[NH2+]CC2.[Cl-] Cl- 1 -1.68 5 4 0 -17.4761148608659 24891744 C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C.[Cl-] Cl- 1 1.4e-002 5 6 0 -21.5305452735804 24891742 CC(C)(C)OC(=O)CNC(=O)C1=C(N=CN1)C(=O)NCCCCC[NH3+].[Cl-] Cl- 1 -1.244 5 4 0 -20.8287169387719 24891740 CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NC3CC[NH2+]CC3.[Cl-] Cl- 1 0.203 5 4 0 -18.591660261911 24871374 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC 1 4.698 3 2 -7.84541257415435 24871373 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC3=CC(=CC=C3)C(F)(F)F)C4=CC(=CC=C4)C(F)(F)F)C(=O)OC 1 6.583 3 2 -4.96427047886123 24871372 CCN1C(=C([C@@H](N=C1NCCOC)C2=CC(=CC=C2)C(F)(F)F)C(=O)OC)C 1 2.691 3 3 -8.09911469016203 24871371 CCN1C(=C([C@@H](N=C1NCC2=CC=CO2)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC)C 1 3.587 3 3 -5.82260234311101 24871370 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC(C)C)C3=CC(=CC=C3)F)C(=O)OC 1 4.512 3 2 -7.70266209734211 24871369 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC3=CC(=CC=C3)Cl)C4=CC(=CC=C4)F)C(=O)OC 1 5.568 3 2 -3.72690836559877 24871367 CCN1C(=C([C@@H](N=C1NCC2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC)C 1 4.356 3 5 0 -9.10124716026285 24871366 CCN1C(=C([C@@H](N=C1NCCC2=CC=CC=N2)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC)C 1 3.718 4 2 -6.62330699856276 24871365 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCCC3=CC=CC=N3)C4=CC(=CC=C4)C(F)(F)F)C(=O)OC 1 4.953 4 2 -6.06057851379558 24871364 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCCC3=CNC4=CC=CC=C43)C5=CC(=CC=C5)C(F)(F)F)C(=O)OC 1 6.255 4 2 -7.0344247334646 24871363 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCCCCO)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC 1 4.16 3 3 -4.78917492066992 24871362 CCN1[C@@H]([C@H]([C@@H](N=C1NCCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)OC)C 1 3.658 4 4 0 -5.93253307914842 24871361 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)Br)C(=O)OC 1 5.397 3 5 0 -10.1344432561755 24871352 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCCC3=CN=CC=C3)C4=CC=C(C=C4)Br)C(=O)OC 1 4.617 4 2 -8.26860225376736 24871351 CCN1[C@@H]([C@H]([C@@H](N=C1NCC2CC2)C3=CC=CC=C3)C(=O)OC)C 1 2.679 3 2 -6.12416855793595 24871350 CC1=C([C@@H](NC(=S)N1CC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC 1 5.414 2 2 -12.5749834558536 24871349 CC1=C([C@@H](N=C(N1CC2CC2)NCC3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=C4)C(=O)OC 1 4.877 3 2 -4.5629353047791 24871347 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCCN3CCOCC3)CCC4=CC=CC=C4)C(=O)OC 1 3.718 4 3 0 -9.35741116372799 24871346 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC3=CC(=C(C(=C3)OC)OC)OC)CCC4=CC=CC=C4)C(=O)OC 1 5.426 3 5 0 -10.9196326898968 24871344 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC3=CC=C(C=C3)OC)C4=CC=CC=C4)C(=O)OC 1 4.682 3 3 -6.98175956756122 24871343 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC3CC3)C4=CC=CC=C4)C(=O)OC 1 3.935 3 2 -8.47378842954052 24871342 CCN1C(=C([C@@H](N=C1NCC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3)C(=O)OC)C 1 3.414 3 5 0 -11.5481048142041 24871341 CCN1C(=C([C@@H](N=C1NCC2CC2)C3=CC=CC=C3)C(=O)OC)C 1 2.7 3 2 -8.91189844927185 24871339 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC3=CC(=CC=C3)Cl)C4=CC=CC=C4)C(=O)OC 1 5.362 3 2 -4.71221583073499 24871338 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCCC3=CNC4=CC=CC=C43)C5=CC=CC=C5)C(=O)OC 1 5.313 4 2 -9.816757527151 24871337 CCN1[C@@H]([C@H]([C@@H](N=C1NCCC2=CC=CS2)CCC3=CC=CC=C3)C(=O)NCCC4=CC=CS4)C 1 5.133 4 1 -10.336531927201 24871336 CCN1[C@@H]([C@H]([C@@H](N=C1NCCCOC(C)C)C2=CC=CC=C2)C(=O)OC)C 1 2.517 3 3 -9.13335663606371 24871335 CCN1[C@@H]([C@H]([C@@H](N=C1NCCC2=CC=C(C=C2)Br)C3=CC=CC=C3)C(=O)OC)C 1 4.512 3 2 -3.47279634630581 24871334 CCN1[C@@H]([C@H]([C@@H](N=C1NCCCOC(C)C)CCC2=CC=CC=C2)C(=O)NCCCOC(C)C)C 1 3.305 4 3 0 -12.3991691616521 24871333 CCN1[C@@H]([C@H]([C@@H](N=C1NCC2=CC=C(C=C2)OC)C3=CC=CC=C3)C(=O)OC)C 1 3.426 3 3 -4.49696714246011 24871332 CCN1[C@@H]([C@H]([C@@H](N=C1NCCOC)C2=CC=CC=C2)C(=O)OC)C 1 1.728 3 3 0 -7.89808035698907 24871331 CC1=C([C@@H](NC(=S)N1CC2=CC=CC=C2)C3=CC=C(C=C3)Br)C(=O)OC 1 5.22 2 2 -15.105493896562 24871330 CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C(=O)OC 1 4.466 3 4 0 -8.43282014455163 24871308 CN(C)C/C=C(\C1=CC=C(C=C1)Br)/C2=CN=CC=C2.O.Cl Cl- H2O 1 3.447 2 0 -1.45636180175145 24871298 CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC(=CC=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.O.Cl.[Cl-] Cl- Cl- H2O 1 5.412 2 6 0 -3.45379189182462 24871279 CCCC(=O)NC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]4COP(=O)(O[C@H]4O3)[O-])OC(=O)CCC.O.[Na+] H2O Na+ 1 -0.61 5 8 0 -20.5592367520092 24871278 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.O H2O 1 2.021 0 6 6.841152020484 24871268 CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-] I- 1 3.403 4 0 4.99462799869852 24864074 CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C1=C(N=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 1 4.823 5 8 0 -25.5864838862152 24864073 C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CC(C)C)C(=O)OCC3=CC=CC=C3 1 3.634 4 6 0 -18.8775102273354 24864069 CC(C)(C)OC(=O)NCCCCCNC(=O)C1=C(NC=N1)C(=O)NCC(=O)OCC2=CC=CC=C2 1 2.009 5 6 0 -23.2031552209022 24860308 CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCCCCCNC(=O)OC(C)(C)C 1 3.397 5 6 0 -21.9393319986693 24860307 C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C 1 0.973 5 6 0 -18.4389067218231 24860306 C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)N(C)CC2=CC=CC=C2 1 1.765 4 4 0 -16.3774116845212 24860305 C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC3=CC=C(C=C3)CNC(=O)OC(C)(C)C 1 2.913 5 6 0 -21.3342971278485 24856326 CC[C@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CC(=CC=C2)C 1 2.751 2 5 0 -1.21582601665157 24856325 CC[C@]1(C(=O)N(N1C(=O)OCC)C(=O)OCC)C2=CC=CC=C2 1 2.963 2 5 0 -3.34385966473069 24856324 COC(=O)N1C(=O)[C@](N1C(=O)OC)(C2CCCCC2)C3=CC=CC=C3 1 3.581 2 5 0 -2.84660075536602 24856323 CCOC(=O)N1C(=O)[C@](N1C(=O)OCC)(C2=CC=C(C=C2)Cl)C(C)C 1 3.946 2 5 0 -0.558333604171021 24856322 CC[C@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CC=CC=C2OC 1 2.249 2 6 0 -3.43522218051184 24856321 CC(C)[C@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CSC=C2 1 2.246 2 5 0 -3.32813112349237 24856320 CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC(=CC=C4)Br)[N+](=O)[O-] 1 3.973 4 4 0 -7.35293806717588 24856319 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CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2(CC2)C3=CC=CC=C3 1 3.182 2 2 -11.9148771923583 24856171 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2=NC(=C(C(=C2Cl)Cl)Cl)Cl 1 4.396 3 4 0 -14.551061769967 24856170 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C23CC4CC(C2)CC(C4)C3 1 2.755 2 3 -5.47513031042952 24856169 CC1=NC(=CC=C1)NC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C 1 3.132 4 1 -11.602295164629 24856168 CCC1=NOC(=C1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2OC)C 1 1.726 2 6 0 -19.4328297949491 24856167 CC1=CC(=C(C=C1)C(=O)OCC(=O)NC(=O)CC2=CC=CC=C2)O 1 2.472 1 5 -4.8784824630522 24856166 C1=CC(=CC(=C1)/C=C\2/C(=O)NC(=O)S2)C3=CC=C(C=C3)S(=O)(=O)N 1 2.165 2 4 4.09301214988576 24856165 CNS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O 1 0.98 3 6 0 -8.40726841624797 24856164 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O H2O 1 1.972 1 6 0 -25.2196780843953 24840086 C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6.Cl Cl- 1 3.849 2 3 0.627576379643349 24820104 CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)C4=CC=C(S4)Cl 1 4.4 3 1 4.70969313975815 24820103 CN1C(=CC=N1)C(=O)N(C)C2CCCN(C2)CC3=CC=CC=C3F 1 2.602 4 1 -7.67162853711571 24820102 CCN1C=C(C(=N1)C)CN2CCCC(C2)CNC(=O)COC3=CC=CC=C3OC 1 2.416 4 3 0 -11.7515990019745 24820101 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCC(CC3)(CC4=CC=CC=C4)CO 1 3.563 2 3 0.658046299741825 24820100 C1CC(=O)N(CC1C(=O)NCCN2C=CC=N2)CCC3=CC(=CC=C3)F 1 1.598 4 2 0 -21.4519125563062 24820099 COC1=CC=CC(=C1OC)CNC(=O)C2CCC(=O)N(C2)CC3CCCCC3 1 2.928 2 4 -22.6606178533099 24820098 COC1=C(C(=CC=C1)OC)CNC(=O)C2CCC(=O)N(C2)CC3CCCCC3 1 2.928 2 4 -20.3125843863811 24820097 CC1=NN(C(=C1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC(=CC=C4)Cl)C 1 3.39 5 1 -0.343212200817334 24820096 CC1=CC(=C(C=C1)C)OCC2=CC(=NO2)C(=O)N(C)CC3=NC=CS3 1 2.976 3 3 -11.8470667985105 24820095 CC1=NC(=CS1)C(=O)N2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C 1 3.11 2 3 -9.10709918980124 24820094 CC1=NC=C(S1)CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)F 1 3.813 3 1 14.5813578420782 24820093 CCN1C(=CC(=N1)CC(C)C)C(=O)N2CCCC(C2)NC3=CC=C(C=C3)F 1 4.344 4 1 -13.1236158963881 24820092 C1CCC(C1)N2CC(CCC2=O)C(=O)NCC3=CC=CC=C3Cl 1 2.839 2 2 -21.4765026674485 24820091 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CN4C(=CC(=N4)C)C)C 1 3.636 5 1 -9.57949654130524 24820090 CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CCC3=CNN=C3)C 1 3.098 4 1 -12.9345619918064 24820089 C1CCC(CC1)CNC(=O)C2(CCN(CC2)C(=O)C3CCCC3)CC4CC(=NO4)C5=CC(=CC=C5)Br 1 5.511 3 3 -6.71288789368712 24820088 CC(=NNC(=O)CNC(=O)/C=C\C1=CC=C(C=C1)OC)C2=C(C=C(C=C2)OC)OC 1 2.142 3 5 0 -13.2939517190158 24820087 CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCC(=O)N)[O-])[N+](=O)[O-] 1 2.15 4 5 0 -4.7321261862956 24820086 CC1=NC2=C(N1CCNC3=NC(=CS3)C4=CC(=C(C(=C4)Cl)N)Cl)C=CC(=C2)C(F)(F)F 1 5.265 5 0 5.47570390912577 24820085 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C(C)COC)C 1 1.497 5 5 0 -27.0930594211901 24820084 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3SC 1 2.23 3 3 -23.8828059135378 24820083 C1COCCN1C(=O)CC2=NN3C(=C(C(=O)N=C3S2)/C=C\4/C=CC(=O)C(=C4)O)N 1 -8.7e-002 5 5 0 -16.7122054489223 24820082 C1CC(CCC1NC(=O)CCCOC2=CC(=CC=C2)Br)O 1 2.812 1 3 -9.12698079164068 24820081 CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3C[C@@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4 1 2.466 3 5 0 -19.6957991561469 24820080 COC1=C/C(=C/C2=C(N3C(=NC2=O)SC(=N3)CC(=O)N4CCOCC4)N)/C=C(C1=O)CC=C 1 1.107 5 5 0 -18.033445762024 24820079 CCCCCCCNC(=O)C1(CCNCC1)CC2CC(=NO2)C3=CC(=CC=C3)Br 1 4.554 3 2 -10.9004892597729 24820078 C1CCN(CC1)CC2=CSC(=N2)N(CCCN3C4=CC=CC=C4N=C3C(F)(F)F)CCO 1 3.817 5 1 0.607342313191144 24820077 CC(C)C1=CC=C(C=C1)NC(=O)[C@H]2CSCN2C(=O)[C@@H]3CCC(=O)N3 1 1.411 3 3 0 -12.672747548027 24820076 CCC(C)(C1=C(C2=C(N1)C=CC(=C2)C(F)(F)F)C)O 1 4.345 1 1 5.57437527586288 24820075 CC12CCC(=O)N1C(CS2)C(=O)NC3=NC4=C(C=C(C=C4S3)F)F 1 1.955 3 2 0 -4.12857122157913 24820074 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC2=CC=CC=C2C(=O)NCC3=CC=CC=C3 1 2.628 2 5 0 -23.403779056913 24820073 CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 1.34 8 4 0 -15.8042877771752 24820072 CC1=C(SC=C1)C(=O)N2CCC3=CC=CC=C3C2 1 3.341 1 1 -12.3955545749763 24820071 CCC1=CC=CC=C1NC(=O)NN2C=NN=C2 1 1.083 5 1 0 -7.57196768771133 24820070 CCOC(=O)NN=CC1=CC(=C(C=C1)OC/C=C/C2=CC=CC=C2)OC 1 4.029 2 4 -9.69934591499918 24820069 C1CC2=C(C1)C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F 1 3.785 2 1 -4.29131737237363 24820068 CC(=O)C1=CC(=CC=C1)NC(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2 1 2.428 3 3 -5.13488807801449 24820067 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4O 1 3.605 3 4 0 -3.70140368614301 24820066 C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 4.152 3 2 -9.56550331306855 24820065 CC1(CCS(=O)(=O)C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)OC 1 0.187 2 5 0 -14.3783924821849 24820064 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=CC=NC=C3 1 1.228 3 2 0 -7.70427251584648 24820063 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CC3=CC=C(S3)S(=O)(=O)N4CCOCC4 1 1.042 5 6 0 -21.2779128805987 24820062 CC(=NNC(=O)CNC(=O)/C=C\C1=CC=CC=C1OC)C2=C(C=C(C=C2)OC)OC 1 2.142 3 5 0 -12.8723664099477 24820061 C1CN(CCC1C(=O)NCCCN2CCOCC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 1.844 3 4 0 -16.9666073736598 24820060 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CSCC(=O)NC2=CC=CC(=C2)C 1 2.84 3 3 -16.8326906349818 24820059 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)/C=C/C2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4 1 4.477 5 3 0 0.181150051830562 24820058 CCOC1=CC=C(C=C1)NC(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2 1 2.855 3 4 0 -5.92218128668352 24820057 CC1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2O 1 2.932 3 3 -0.891158565239254 24820056 CC1=C(C=CC=C1Cl)NC(=O)NC2=NC=CN=C2 1 1.911 4 1 0 -3.24996685617181 24820055 C1=CC=C(C=C1)C(=NNC(=O)C2=C(C=CC(=C2)O)O)C3=CN=CC=C3 1 2.693 3 3 -2.45714271044091 24820054 CCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3 1 3.518 4 1 -16.8355806679014 24820053 C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC(=CC(=C3)O)O)Cl 1 4.295 2 5 0 -5.84218801453734 24820052 CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 0.766 2 6 0 -18.1705738740046 24820051 COC1=CC=CC=C1OCC(=O)NNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 1.151 4 5 0 -20.475671524589 24820050 COC1=C(C=C2CN(CCC2=C1)C(=O)CCNS(=O)(=O)C3=CC=CC=C3F)OC 1 2.085 2 5 0 -20.5248764789944 24820049 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)C(=O)N3CCN(CC3)CC4=C(C=CC(=C4)OC)OC 1 3.709 3 6 0 -10.788191151152 24820048 CC1CCCCC1NC(=O)C(C)OC(=O)/C=C/C2=CC(=CC=C2)F 1 4.08 1 3 -9.75597197678404 24820047 CN(CC1=CC=CS1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 3.038 2 4 -13.2384640071085 24820046 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)COC3=CC=CC=C3C 1 2.307 3 7 0 -27.1478602387559 24820045 CSCCC(C(=O)N1CCCCC1)NC(=O)COC2=CC=CC=C2 1 1.867 2 3 0 -18.5536550659208 24820044 CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 1.946 5 3 0 -19.5966477843949 24820043 COC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC(=O)NC2CCCCC2 1 2.45 2 6 0 -13.3392943331115 24820042 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F 1 4.247 4 2 -2.44787004749596 24820041 C1=CC=C(C=C1)/C=C/COC2=CC=CC(=C2)C=NNC(=O)CC#N 1 3.113 3 2 -11.5934634685232 24820040 CCCNC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.601 3 1 -14.727194286019 24820039 C1=CC(=C(C=C1Br)C(=O)NN=CC2=COC=C2)O 1 2.293 2 3 -1.02270952826916 24820038 CCOC(=O)/C=C/C(=O)OCC(=O)N1CCN(CC1)C(=O)C2=CC=CO2 1 0.381 2 7 0 -8.40994199568008 24820037 CC(C)N(CC1=CC=CC=C1)C(=O)CN2C(=O)C(NC2=O)(CC3=CC=CC=C3)C4=CC=CC=C4 1 4.207 3 3 -8.97703390692787 24820036 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C 1 3.746 6 2 0 -5.66352233921176 24820035 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OCC(F)(F)F 1 0.949 4 7 0 -25.9111962023935 24820034 COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCCC4)OC 1 3.528 4 5 0 -21.2549334206358 24820033 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)CSC3=CC=CC=C3 1 4.045 2 3 -14.2031268058873 24820032 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)C)Cl 1 1.945 3 5 0 -9.57137870460861 24820031 CCC1=CC=C(C=C1)OCC(=O)OC(C)C(=O)NC2CC2 1 2.496 1 4 -12.1704374519861 24820030 CC1=CC=C(C=C1)CN(C)C(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.673 2 5 0 -20.5886125721657 24820029 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=C/C(=C/C3=CC=CC=C3)/C 1 3.088 8 2 0 -23.543702081121 24820028 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NCC4=CC=CC=C4)C 1 3.781 3 5 0 -20.1040489858674 24820027 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 0.642 4 7 0 -15.9059403605887 24820026 COC1=CC=CC=C1C(=O)NCCC(=O)NCCOC2=CC=CC=C2 1 1.961 2 4 0 -18.0356881685366 24820025 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)N 1 0.5 5 6 0 -11.8477762135363 24820024 CC(C(=O)NNC(=O)CCNC(=O)C1=CC=CC=C1Cl)OC2=CC=CC=C2F 1 2.369 3 4 0 -18.6476549793853 24820023 CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC=CC=C2N3CCCCC3 1 4.501 2 2 -7.80817475233197 24820022 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C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)NN=CC4=CN=CC=C4 1 4.33 4 1 -4.25516448555829 24819903 C1=CC(=CN=C1)C=NNC(=O)CC2=CC(=C(C=C2)Cl)Cl 1 2.896 3 1 -2.59107517262244 24819902 CC1CN(CC(O1)C)C(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2C 1 2.363 3 3 -23.8720633190008 24819901 C1CCC(CC1)(C#N)NC(=O)COC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.293 4 5 0 -16.1543242402246 24819900 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)N 1 1.636 5 6 0 -15.9637818309761 24819899 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC)NC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.343 3 5 0 -28.9356433407846 24819898 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCC4)OC 1 2.794 3 5 0 -15.8505341542292 24819897 C1CCC(CC1)(C#N)NC(=O)COC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.614 4 5 0 -19.145060157476 24819896 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4 1 3.399 3 3 -7.22066689176371 24819895 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 2.903 2 5 0 -18.5342140606472 24819894 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=C(C=C(C=C3)Br)F 1 3.29 2 4 -17.2953730161953 24819893 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=CC=C4)C 1 2.385 4 5 0 -23.3199803083533 24819892 CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 1.66 3 5 0 -14.4583579012161 24819891 CC1CCCCC1NC(=O)C(C)OC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2 1 3.375 2 4 -16.3971793726334 24819890 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC(=CC=C2)Cl 1 1.998 2 5 0 -15.8142453162507 24819889 CC12CCC(=O)N1C(CS2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OCC(F)(F)F 1 2.4 3 5 0 -22.29814345188 24819888 CC1CCCCC1NC(=O)C(C)SC2=NN=NN2C3=CC=C(C=C3)O 1 3.28 5 2 0 -18.7070446989449 24819887 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)CCC3=CC=C(C=C3)OC 1 4.126 2 4 -13.8241416265545 24819886 CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CC2=CNC3=CC=CC=C32 1 3.216 3 3 -10.3289624676751 24819885 CC(C1=CC=C(C=C1)Br)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 4.405 3 3 -20.2553354606087 24819884 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)OC 1 2.844 3 5 0 -12.9291370130023 24819883 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C(C)C)C 1 1.977 5 4 0 -23.6702498775962 24819882 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)C 1 0.773 5 5 0 -22.4768145709182 24819881 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)CSC3=CC=C(C=C3)Br 1 2.872 3 3 -11.2571064032863 24819880 COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NNC(=O)C2=CSC(=N2)N3CCOCC3 1 0.382 5 5 0 -21.2314781139748 24819879 CC1=C(SC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2 1 2.768 1 3 -12.5849907599645 24819878 CCOC1=C(C=CC(=C1)C=NNC(=O)C2CC2)OC(C)C 1 2.819 2 3 -11.8801073378653 24819876 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=CN=CN=C3.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.814 4 1 2.1197365383892 24819875 CC12CCC(=O)N1C(CS2)C(=O)N(C)CC3=CC(=CC=C3)Cl 1 1.796 2 2 0 -4.4651823305212 24819874 CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=CC=C2)Cl 1 4.071 1 3 -11.4559179745075 24819873 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)Cl)O 1 4.074 2 4 -5.78112663103916 24819872 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)SC(F)F 1 3.054 3 3 -18.0466172119236 24819871 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.546 3 5 0 -15.6118156464149 24819870 CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 3.927 2 5 0 -27.7011303139103 24819869 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCC(=O)NC2=CC=CC(=C2C)C 1 2.466 2 6 0 -22.0382278622867 24819868 C1=CC=C(C=C1)CNC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.498 2 2 -8.62657911481224 24819867 CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 3.545 3 4 0 -12.5262128435327 24819866 CN(C)C1=NC(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N)/S1 1 2.318 3 4 0 -4.54631205986903 24819865 CC1CCCCC1NC(=O)C(C)SC2=NC(=NC3=C2C(=C(S3)C)C)C 1 4.502 3 1 -15.3175409137061 24819864 CC1CCCCC1NC(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.66 2 5 0 -22.9082153500633 24819863 CC1=CC(=NN1CC(=O)NNC(=O)C2=CC(=CC=C2)C(F)(F)F)C 1 1.743 4 2 0 -12.8781045792825 24819862 CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 3.546 3 5 0 -15.7883987655427 24819861 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)OCC 1 2.617 2 6 0 -27.2690949448854 24819860 CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 2.855 4 4 0 -16.3707612830926 24819859 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4 1 4.137 5 2 0 -11.2311071863211 24819858 CN(CC1=CC(=CC=C1)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.69 3 3 -15.1918490766497 24819857 CCOC1=C(C=CC=N1)C(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 2.468 4 3 0 -11.1572712932625 24819856 CCOC(=O)C1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 0.977 2 6 0 -16.2342232340881 24819855 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-] 1 3.318 4 5 0 -17.4906785471891 24819854 COC1=CC(=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2)OC 1 2.615 1 7 0 -19.3037335326587 24819853 C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C3=CC=CC=C3OCC4=CC=CC=C4Cl 1 2.758 4 4 0 -8.66009192651866 24819852 C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C34CC5CC(C3)CC(C5)(C4)Cl 1 1.406 4 3 0 -7.66320889758342 24819851 CC1=CC(=C(C=C1)C)SCC(=O)NNC(=O)C2=CSC(=N2)N3CCOCC3 1 1.893 4 3 0 -11.4727858960929 24819850 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=C(C=CS2)C3=CC=CC=C3 1 3.203 2 3 -9.50472962885311 24819849 C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC(=CC=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(F)(F)F 1 5.308 4 3 0 5.91880647308383 24819848 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC3=C(S2)CCCCC3)N 1 2.203 4 4 0 -11.2860120562104 24819847 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)N(C)C3CCCCC3 1 3.215 2 6 0 -19.6912182221634 24819846 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N(C)CCOC3=CC=CC=C3 1 3.248 2 3 -9.80322927859874 24819845 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3CCCCC3)CNC4=CC(=CC=C4)OC 1 2.684 5 4 0 -29.1023825404522 24819844 CCC1CCCCN1C(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C 1 4.077 2 4 -15.3706644573555 24819843 CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 3.863 2 3 -6.65752629032127 24819842 C1CCC(CC1)CNC(=O)COC(=O)CSC2=CC=C(C=C2)F 1 3.532 1 3 -12.1708462484057 24819841 CC1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)C 1 2.878 2 4 -17.1137809995805 24819840 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.597 4 5 0 -11.9207681683524 24819839 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 2.787 3 7 0 -8.79155445984878 24819838 CC1=CN=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.441 4 3 0 -17.9882848868449 24819837 C1=CC(=C(C=C1Cl)Cl)CC(=O)NC2=C(C=NC=C2)Cl 1 3.492 2 1 -3.03159464189718 24819836 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N(C)CC4=C(C(=CC=C4)OC)OC 1 2.201 2 4 -6.05460927060045 24819835 COC1=CC=CC=C1CCC(=O)OC2=CC=CC=C2C#N 1 3.615 1 3 -10.3908574027002 24819834 CC12CCC(=O)N1C(CS2)C(=O)NCCC3=CC=CC=C3 1 1.247 2 2 0 -10.1540037058326 24819833 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)SC(F)F 1 3.256 2 2 -8.97116895923832 24819832 CC1=C(SC(=C1C(=O)OCCOC)NC(=O)COC(=O)CC2=CC(=CC=C2)OC)C(=O)N 1 1.63 2 8 0 -20.8367491252777 24819831 CN1C=CSC1=NC(=O)CSCC(=O)NC2=CC=C(C=C2)OC 1 1.148 3 3 0 -12.9758506264335 24819830 CCOC1=CC=C(C=C1)OCCC(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 1.643 4 5 0 -13.5193039666687 24819829 CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 2.027 2 6 0 -5.07721635803421 24819828 CC1=C(C(=NO1)C)CSCC(=O)N(C)CC(=O)NC2=CC(=CC=C2)F 1 1.368 3 3 0 -19.1764640006274 24819827 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=CN3C)C 1 2.922 4 4 0 -11.4109837791789 24819826 C1=CC=C(C=C1)SCCCNC(=O)C2=C(C=CC(=C2)Br)O 1 3.797 1 2 -2.49749574692363 24819825 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 0.376 5 7 0 -28.5548244485038 24819824 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 2.307 4 5 0 -26.203840957402 24819823 COC1=CC=CC=C1CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.667 2 4 -23.9961837998115 24819822 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C23CC4CC(C2)CC(C4)(C3)Cl 1 2.229 3 3 -11.4119839745723 24819821 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCC(=O)OCC(=O)NCCC2=CC=CC=C2)N 1 1.424 5 6 0 -26.7135818851774 24819820 CCC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 2.274 4 3 0 -12.6974853302921 24819819 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.358 3 5 0 -22.6622087349568 24819818 COC1=CC=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 4.315 3 4 0 -8.3669183746295 24819817 CC1CN(CC(O1)C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)F)Cl 1 3.25 2 4 -18.4564549395445 24819816 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO 1 2.14 5 6 0 -10.8852500136404 24819815 COC(=O)C1CCN(CC1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 0.653 2 9 0 -24.3994039846581 24819814 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N(C)C 1 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24819743 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N(C)CCC4=CC(=C(C=C4)OC)OC 1 5.735 2 3 -7.05471353300404 24819742 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=NN=C(S4)SCC=C 1 2.195 4 2 -18.2308909965129 24819741 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CNC(=O)C3=CC=CC=C3 1 1.402 4 6 0 -17.3849097945203 24819740 C1CN(CCN1C2=CC=CC=C2O)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4 1 1.459 3 5 0 -8.57679057885339 24819739 C1CN(CCN1C2=CC=CC=C2O)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F 1 3.324 3 4 0 -1.18192077548227 24819738 C1=CC(=CC=C1C(=O)NCC(=O)OCCCOC(=O)CNC(=O)C2=CC=C(C=C2)Cl)Cl 1 2.7 2 6 0 -8.83949397857516 24819737 CCC1=NOC(=C1C(=O)NNC(=O)COC2=CC=C(C=C2)Br)C 1 2.004 3 4 0 -16.2185245898016 24819736 CC1=C(C=C2C(=C1)C(=CO2)CC(=O)N(C)CC(=O)NC3=CC(=CC=C3)F)C 1 3.396 2 3 -5.50925780873334 24819735 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=NN=C(N3C)C4=CC=NC=C4)C 1 0.271 7 3 0 -16.5668598141089 24819734 CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NC3=NN(C(=O)C3=C4N2CCCCC4)C5=CC=CC=C5 1 5.917 4 2 -14.0462589108042 24819733 CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)C2=CC=NC=C2 1 1.532 3 4 0 -10.3819671113969 24819732 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC(=O)N2CCCC(C2)C 1 1.691 5 6 0 -23.0578447148856 24819731 CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)NC(C)C(C)C 1 2.417 4 4 0 -28.4390350126269 24819730 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 -0.25 6 5 0 -36.223001143433 24819729 CC1=C(C(=CC=C1)OCC(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C 1 2.035 2 6 0 -9.44935694498144 24819728 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CC2=COC3=C2C=CC(=C3)C 1 4.063 2 3 -12.0418278689235 24819727 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CNC(=O)C2=CC=C(S2)C 1 1.798 3 3 0 -17.2423871538005 24819726 CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)OC)N3CCCC3)S(=O)(=O)NC4=CC=CC=C4OC 1 4.191 3 5 0 -21.6714062243482 24819725 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2CCCCCCC2 1 3.758 1 5 -16.1352418232587 24819724 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=C(C=CC(=N3)Cl)Cl 1 2.714 4 4 0 -20.7054915102402 24819723 CC1=C(N=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 3.713 3 3 -19.5242382756636 24819722 CC1=CC=C(C=C1)NC(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2 1 3.009 3 3 -4.80709996325081 24819721 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC(=C2)O)O)OC(=O)C3=CC=CC=C3 1 3.615 2 6 0 -10.480067515015 24819720 CC1=CC2=C(C=C1)N=C(C=C2C(=O)NN=CC3=CC=NC=C3)C 1 2.487 4 1 -1.9530564248053 24819719 C1CCC(C1)C(=O)NN=CC2=CC=CC=C2C(=O)O 1 2.319 2 3 -3.50697996850432 24819718 C1CC(CN(C1)C(=O)C2=CC3=CC=CC=C3C=C2O)C(F)(F)F 1 3.298 1 2 -0.651879012185299 24819717 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC(C2=CC=CC=C2OC)N3CCCC3 1 2.577 3 5 0 -23.854614550301 24819716 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OCC 1 2.796 3 5 0 -21.1259822060911 24819715 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.447 3 5 0 -25.43731607619 24819714 CC(COC)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3 1 1.168 3 5 0 -24.2488734794846 24819713 CCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)C 1 2.44 3 6 0 -20.2954199275082 24819712 COC1=CC=C(C=C1)C(=O)NN=CC2=COC3=C(C2=O)C=C(C=C3)Cl 1 2.742 2 4 -1.43478931293522 24819711 COC1=CC(=C(C=C1)NC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)OC 1 4.109 2 3 -14.053627717013 24819710 CC1=NC2=C(N1CCNC3=NC(=CS3)C4=CC(=C(C=C4)[N+](=O)[O-])Cl)C=CC(=C2)C(F)(F)F 1 5.242 5 2 0 6.11807399831801 24819709 CC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)CCCN4C5=CC=CC=C5N=C4[C@H](C)NC(=O)C 1 3.997 6 1 0 -1.94658932008298 24819708 CC1=CC=C(C=C1)C2=CSC(=N2)N(CCCN3C4=CC=CC=C4N=C3C5=CC=NC=C5)CCOC(=O)C 1 4.849 5 2 0 1.33403660202489 24819707 CC1=CC=C(C=C1)C2=CSC(=N2)NCCN3C4=CC=CC=C4N=C3C5=CC=NC=C5 1 4.741 5 0 7.02346777904322 24819706 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.603 2 7 0 -18.7237367633847 24819705 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.846 2 7 0 -17.6809301073371 24819704 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.567 4 5 0 -10.5627267536364 24819703 COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC)OC 1 1.83 2 7 0 -21.6292590084781 24819702 CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 2.773 2 6 0 -11.4346088612542 24819701 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CSCC4=CC=CC=C4 1 3.168 4 3 0 -20.2187987227164 24819700 CCCCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCN(CC3)C 1 1.91 4 4 0 -20.8014369232243 24819699 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C 1 0.722 6 5 0 -32.6996116053066 24819698 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N)OC 1 0.419 4 6 0 -17.3952220523565 24819697 CC1CCC2=C(C1)C=C(S2)C(=O)N(C)CC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.318 3 3 -9.52424620197407 24819696 CC1=C(SC=C1)C(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 2.884 4 3 0 -10.499227678103 24819695 CC1=CC(=NO1)NC(=O)CSCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3 1 1.353 4 5 0 -22.7639225092002 24819694 COC1=C(C(=CC=C1)OC)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.785 1 8 0 -20.5467464566274 24819693 CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)CSC3=NC=CC=N3 1 2.809 4 3 0 -25.725685073782 24819692 CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 1 3.496 6 3 0 -37.6266247015801 24819691 COC1=CC2=C(C=C1)C=C(C=C2)OCC(=O)NNC(=O)NC3=CC=C(C=C3)F 1 2.712 3 4 0 -4.91766726159911 24819690 CC1=CC(=C(C=C1)OC)NC(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2O 1 2.915 3 4 0 -4.55447197457695 24819689 CC1=C(C=CC(=C1)OC)NC(=O)NC2=CC3=C(C=C2)OCO3 1 2.76 2 4 -9.70520529901875 24819688 C[C@@H]1[C@H]2CN3C4=CC=CC=C4N=C3[C@H]1N(O2)C5CCCCC5 1 3.433 3 1 -6.18360664231193e-002 24819687 C1=CC(=CC=C1C(=O)NNC(=O)C2=NC=C(C(=C2Cl)Cl)Cl)F 1 3.348 3 2 -3.16156087640737 24819686 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)CCOC3=CC=CC=C3 1 3.735 2 4 -14.0720687291156 24819685 CC1=CC=C(C=C1)SCCC(=O)N(C)CC(=O)NC2=C(C=CC=C2C)C 1 3.98 2 2 -13.5719789256471 24819684 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2N3CCCCC3)C4=CC=CC=C4 1 3.315 4 3 0 -8.72556614500592 24819683 C1CCC(=CC1)CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.655 1 3 -18.2564757500786 24819682 C1CN(CCN1C(=O)CCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)F 1 1.248 4 4 0 -22.8249739460592 24819681 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC4=C(C=C(C=C4)F)Cl 1 2.244 4 5 0 -16.521947147014 24819680 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N(CC)CC(=O)NC3=C(C=CC=C3F)F 1 2.303 5 4 0 -23.4548372180303 24819679 CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)N3CCN(CC3)C 1 0.202 4 4 0 -24.0307437957697 24819678 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=C(OC(=C2)C)C)N 1 1.584 4 4 0 -12.9085404093016 24819677 CC1=CC=CC=C1C(=O)NCC(=O)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3 1 1.636 5 3 0 -12.0692322410802 24819676 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CSC2=NC(=CC(=N2)C)C 1 2.341 4 2 -19.814437329654 24819675 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3 1 1.468 3 5 0 -19.6781589070575 24819674 CC(C)(C)C1CCC(CC1)C(=O)NCC(C2=CC=CS2)N3CCOCC3 1 3.951 2 2 -16.4057931717354 24819673 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC(=CC=C3)OCC(C)C 1 3.19 2 5 0 -19.9848113438749 24819672 C1=CC=C2C(=C1)C(=CN2CC(=O)N)C=NNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.634 5 5 0 -7.09706831588555 24819671 CC1=CC(=NN1CC(=O)NNC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3Cl)C 1 0.744 5 3 0 -22.6843531081208 24819670 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC(=CC=C3)S(=O)(=O)NC(C)C 1 1.737 5 5 0 -22.5164208376469 24819669 CC1CCCCC1NC(=O)C(C)OC(=O)/C=C/C2=CC=CS2 1 3.828 1 3 -14.3663324131614 24819668 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C)OCC 1 3.876 2 7 0 -26.8341260887692 24819667 CCN1C(=NN=C1SCC(=O)N(CC)CC(=O)NC2=C(C=CC=C2F)F)C3=CC=CO3 1 2.814 5 3 0 -19.2935659957879 24819666 CC1=C(C(=NO1)C)CSCC(=O)N(C)CC(=O)NC2=CC=CC=C2Cl 1 1.827 3 3 0 -20.9668053948317 24819665 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F 1 1.748 4 6 0 -23.9156516913472 24819664 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)COC2=CC3=C(CCC3)C=C2 1 4.131 2 3 -16.6250680908953 24819663 CN(CC1=C(C=C(C=C1)OC)OC)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 2.145 4 6 0 -16.9791770619938 24819662 CC(=NOCC(=O)OCC(=O)NC1=CC=CC(=C1)NC(=O)C)C2=CC3=C(C=C2)OCO3 1 0.908 3 7 0 -13.5616952598445 24819661 C1CN(CC=C1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5 1 4.076 3 3 -18.6564612804998 24819660 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCCSC2=CC=C(C=C2)Br 1 3.474 2 3 -13.79261214728 24819659 CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/C#N 1 3.487 3 3 -12.6760121013956 24819658 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC 1 2.036 2 7 0 -18.2867020099985 24819657 C1CN(CCC1N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3)CC4=CC=C(C=C4)O 1 2.924 4 3 0 -25.3603814501235 24819656 CCCN1C=C(C(=N1)C)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C(C4=CC=CC=C4)OC 1 2.679 6 2 0 -45.7670679558354 24819655 CN(C)C(=O)CN1CCN(CC1)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)OC)Cl 1 1.642 4 5 0 -11.5759153878958 24819654 CC1=CC=CC=C1CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4 1 4.035 4 1 -0.537463359845199 24819653 CCC1=NOC(=C1C(=O)NC2CCCC3=C2C=NN3C4=CC(=CC(=C4)C)C)C 1 4.255 4 2 -8.95054575357523 24819652 COC1=CC=C(C=C1)CCN2CC(CCC2=O)C(=O)NCCN3CCNC3=O 1 0.29 4 4 0 -32.8080849383779 24819651 CC1=CC(=C(O1)C(=O)N2CCCC(C2)CNC(=O)C3=CC(=CC(=C3)OC)OC)C 1 2.65 2 5 0 -12.2840677639107 24819650 C1CC(CN(C1)C(=O)CCNC(=O)C2=CC=CC=C2Cl)C(F)(F)F 1 2.604 2 2 -12.9847919365172 24819649 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3OCC 1 3.034 3 4 0 -22.3090522216876 24819648 CC1=C(OC2=C1C=CC=C2F)C(=O)NCCN3CCCC(C3)O 1 2.413 2 3 6.95707927501483 24819647 CCOC1=CC=C(C=C1)OCCCC(=O)NCCOC2=CC=CC=C2OC 1 3.391 1 5 -15.8581427894268 24819646 C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CN(C3=CC=CC=C32)CC(=O)N 1 1.739 4 3 0 -4.89947438681391 24819645 CC1=CC2=C(C=C1)OC=C(C2=O)C=NNC(=O)C3=CC=CC=C3Br 1 3.328 2 3 -2.12013582442528 24819644 CCOC1=C(C=C(C=C1)C=NNC(=O)NC23CC4CC(C2)CC(C4)C3)O 1 3.248 3 3 -4.19453874011816 24819643 CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(C=CC(=C3)OC)OC)C4=CN=CC=C4 1 3.613 4 3 0 -10.7600444900065 24819642 CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CC(=C(C=C3)O)OC)OC 1 4.326 2 6 0 -11.2743189333299 24819641 COC1=CC(=C(C=C1)NC(=O)/C(=C/C2=CN=CC=C2)/C#N)OC 1 1.738 3 3 0 -16.3324880908978 24819640 C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)C3=C(C=C(C=C3)O)O 1 3.759 2 4 3.63461015386104 24819639 CC1=CC2=C(C=C1)N=C(C=C2C(=O)NN=C(C)C3=CN=CC=C3)C4=CC(=C(C=C4)OC)OC 1 4.099 4 3 0 -8.06007170811145 24819638 CC(=NNC(=O)CC1=C(C=CC=C1Cl)Cl)C2=CN=CC=C2 1 2.876 3 1 -8.33560208985843 24819637 C1=CC(=CC=C1F)S(=O)(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 2.005 3 5 0 0.394094853123308 24819636 CC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(CCC3)C=C2)C 1 4.552 2 1 -6.16785775263254 24819635 CCC1=C(C=C(S1)C(=O)NC2=C(C=CC=N2)O)C 1 3.013 2 2 -2.55346455504321 24819634 CN1C=CC=C1C(=O)NCC2CCCCC2 1 2.817 2 1 -6.8469849410826 24819633 CC1=CC=CC(=C1)C(=O)NN=CC2=COC3=CC=CC=C3C2=O 1 2.58 2 3 -4.33078389266593 24819632 CC(=NNS(=O)(=O)C1=CC=C(C=C1)OC)C2=CC=NC=C2 1 1.199 3 3 0 -6.56877655543915 24819631 C1=CC=C(C(=C1)C(=O)NN=CC2=COC=C2)Br 1 2.535 2 2 -7.09317259448209 24819630 C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=O)C3=CC(=C(C(=C3)Br)O)Br 1 3.348 2 4 -0.931748280817154 24819629 CC1=C(SC=C1)C(=O)N2CCC(CC2)CCC(=O)NC3=CC(=CC=C3)OC 1 3.625 2 3 -15.0757899951195 24819628 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4 1 3.997 2 4 -10.9178067320306 24819627 CC1=NC=C(C=N1)CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4 1 1.874 5 1 0 8.71735553970075 24819626 C1CN(CCC1N2C(=CC=N2)NC(=O)C3CCOC3)C(=O)C4=CC(=CC=C4)Cl 1 1.459 4 3 0 -37.0742086506239 24819625 CC(C)(C)CN1CCC(CC1)OC2=CC=CC(=C2)C(=O)NCCCOC3=CN=CC=C3 1 3.142 3 3 -13.6361549343599 24819624 CCOC(=O)N1CCC(CC1)NC(=O)CC2C(=O)NCCN2CC3=CC=CC=C3F 1 0.793 4 4 0 -35.6280657878373 24819623 CC1=C(OC2=C1C=CC=C2F)C(=O)N3CCC(CC3)N4CCSCC4 1 3.073 2 2 10.3318250535961 24819622 CC1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3CCC(=O)N(C3)C4CC4 1 1.975 2 3 0 -19.1584440857413 24819621 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)Br)Br 1 3.185 3 3 -18.0497816424885 24819620 CC(=O)NC(CC(=O)NCC1=CC=NC=C1)C2=CC=CC=C2 1 0.726 3 2 0 -15.7202258487753 24819619 C1=CC=C(C=C1)CCCCNC(=O)NC2=CC(=CC=C2)F 1 3.968 2 1 -6.16791401173782 24819618 C1COCCN1CCOC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3 1 2.731 3 3 -12.2730402584341 24819617 C1=CSC(=C1)C=NNC(=O)CC2=CC=C(C=C2)O 1 2.429 2 2 -4.08043336414399 24819616 CC1=C(C=C(C=C1)Cl)NC(=O)NNC(=O)CCC2=CC=C(C=C2)OC 1 3.404 3 3 -10.1532110602222 24819615 C1=CC=C(C=C1)CCC(=O)NNC(=O)NC2=CC(=C(C=C2)F)Cl 1 3.14 3 2 -7.95406024235331 24819614 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)OCC(=O)N 1 3.022 3 4 0 -9.90199461089628 24819613 C1=CC=C(C(=C1)CC(=O)NN=CC2=CN=CC=C2)Cl 1 2.231 3 1 -4.9465633970787 24819612 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)OCC(=O)N 1 3.039 3 3 -5.90467049129738 24819611 CC(C)OC1=CC=CC(=C1)C(=O)NN=CC2=COC=C2 1 2.497 2 3 -11.0325130100678 24819610 C1=CC=C(C(=C1)C(=O)NNC(=S)NC2=CC=CC=C2Cl)Cl 1 4.603 3 1 -7.74307354614359 24819609 CC1=CC(=C(C(=C1)C)S(=O)(=O)NN=CC2=CC3=C(C=C2)OCO3)C 1 3.613 2 4 -0.887775983933733 24819608 C1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C=CC(=C2)Br)Cl 1 4.687 3 1 -5.15015663552791 24819607 C1=CN=CC=C1C=NNC(=O)C2=CC=C(S2)Cl 1 1.945 3 1 0 -9.86046008570979e-003 24819606 CCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3 1 3.731 5 1 -16.1466587087206 24819605 C1CCC(C1)C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 2.103 3 4 0 -2.1822840475227 24819604 CC1=C(SC=C1)C(=O)NN=C(C)C2=CC=NC=C2 1 1.952 3 1 0 -10.0953748437207 24819603 CC1=CC2=C(C=C1)N=C(C=C2C(=O)NN=C(C)C3=CC=NC=C3)C 1 2.468 4 1 -4.99408621908522 24819602 CN1CCN(CC1)NC(=O)NC2=CC(=CC=C2)F 1 0.823 4 1 0 0.990343542285789 24819601 C/C(=C\1/C=NC2=CC=CC=C21)/NNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.795 4 4 0 -8.06198015402727 24819600 CCC1C(=O)NCCN1C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl 1 3.28 3 3 -22.1499753225228 24819599 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)NN=CC4=CN=CC=C4 1 4.414 4 1 -4.36595771990231 24819598 C1=CC=C(C=C1)/C=C/COC2=C(C=C(C=C2)Br)C=NNC(=O)CC#N 1 3.861 3 2 -6.72061590932715 24819597 CC1=C(C=CC(=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)COC3=CC=CC=C3C(=O)N)[N+](=O)[O-] 1 3.616 4 6 0 -15.0234048946509 24819596 CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CN=CC=C2 1 1.112 3 2 0 -6.72245680587774 24819595 C1=CC=C(C(=C1)NC(=O)NC2=CC=NC=C2)Cl 1 2.036 3 1 -3.7198481869483 24819594 CC(=O)NN=CC1=CC=CC=C1OC/C=C/C2=CC=CC=C2 1 3.054 2 2 -2.1690258024418 24819593 CC(=O)NN=CC1=CC(=CC=C1)OC/C=C/C2=CC=CC=C2 1 3.054 2 2 -4.40811055597581 24819592 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN=CC2=COC=C2 1 2.784 2 5 0 -14.3417434682596 24819591 CC(=NNC(=O)C1CCCC1)C2=CC(=C(C=C2)Cl)Cl 1 3.998 2 1 -2.05902285901817 24819590 CC(=NNC(=O)C1=CC(=CC=C1)O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.241 3 3 -10.8653067108622 24819589 CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1)C3=CC=CS3 1 3.525 2 1 -6.77022038496519 24819588 CC(=NNC(=O)C1CCCC1)C2=C(C=C(C=C2)Cl)Cl 1 3.998 2 1 -0.457943286387552 24819587 CCC1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.388 3 3 -1.13059670101834 24819586 CCOC(=O)NN=CC1=CC=CC=C1OC/C=C/C2=CC=CC=C2 1 4.045 2 3 -4.37552880249213 24819585 CC(C(=O)NNC(=O)NC1=CC=CC=C1OC)OC2=CC3=CC=CC=C3C=C2 1 2.991 3 4 0 -9.36772598572153 24819584 CCC1=CC=CC=C1NC(=O)NNC(=O)C2=C(C3=CC=CC=C3C=C2)O 1 3.388 3 3 -6.12540819197458 24819583 CCC1=CC=CC=C1NC(=O)NNC(=O)CCC2=CC=C(C=C2)OC 1 3.196 3 3 -12.6982149366211 24819582 COC1=CC=C(C=C1)NC(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2 1 2.507 3 4 0 -5.36534274359451 24819581 CC1=CC(=C(C=C1)OC)NC(=O)NCCCCC2=CC=CC=C2 1 4.233 2 2 -11.3850009559595 24819580 CC1=CC(=C(C=C1)OC)NC(=O)NC2CCCC3=CC=CC=C23 1 4.015 2 2 -7.55621041103645 24819579 CC(C1=CC2=C(C=C1)OCO2)NC(=O)NC3=C(C=C(C=C3)OC)OC 1 2.642 2 5 0 -13.3660915548528 24819578 CC1=C(C(=CC=C1)NC(=O)NC2=NC=CN=C2)C 1 1.733 4 1 0 -3.49964659939933 24819577 CCOC1=CC=C(C=C1)NC(=O)NC(C)C2=CC3=C(C=C2)OCO3 1 3.007 2 4 -8.7095258823732 24819576 CC(C1=CN(N=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC=C(C=C4)OC 1 3.118 4 3 0 -9.97310644318561 24819575 CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CN=C4 1 1.857 5 2 0 -1.89887495159435 24819574 CN1C=C(C=N1)CNC(=O)C2CCC(=O)N(C2)CC3=CC=C(C=C3)Cl 1 1.67 4 2 0 -18.755604122527 24819573 CN(C)C1(CCCCC1)CNC(=O)C2CCC(=O)N(C2)CC3=CC=C(C=C3)Cl 1 3.29 3 2 -18.1999131650651 24819572 C1CC(=O)N(CC1C(=O)NCC2=CN3C=CC=CC3=N2)CC4=CC=CC=C4F 1 1.517 4 2 0 -25.6935402948913 24819571 CCC(=NNC(=O)C1CCCC1)C2=CC=C(C=C2)Br 1 4.085 2 1 -3.33335595368993 24819570 COC1=CC=CC(=C1)NC(=O)NN2C=NN=C2 1 0.125 5 2 0 -4.3806880037149 24819569 CC1=CC=C(S1)C(=O)NN=C(C)C2=CN=CC=C2 1 1.612 3 1 0 -7.04049283313518 24819568 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=C(C=C2)O)OC)OC(=O)C3=CC=CC=C3Cl 1 4.504 2 6 0 -9.04914534131224 24819567 COC1=CC=C(C=C1)CCC(=O)NNC(=O)NC2=CC(=CC=C2)Cl 1 2.918 3 3 -6.70180518146272 24819566 CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCC3)C=C2 1 4.066 2 1 -5.86281356423383 24819565 COC1=CC(=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)COC3=CC=CC=C3Br)OC 1 4.949 2 5 0 -6.98318895680775 24819564 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2)COC3=CC=C(C=C3)F 1 4.439 2 3 -7.81199582224807 24819563 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)F)COC3=CC=CC=C3C(=O)N 1 3.441 3 4 0 -9.70431087016319 24819562 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC4(CC3)CC(=NO4)C5=CC=CC=C5)N 1 3.78 4 2 -6.94257449474583 24819561 CC(C)(C)OC(=O)N1CCC(CC1)(CC2CC(=NO2)C3=CC(=CC=C3)Br)C(=O)O 1 3.649 2 5 0 -3.98368062897222 24819560 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CCCN4CCCC4=O)C 1 3.132 4 2 -16.0873661159082 24819559 C1CC(CN(C1)C(=O)C2=COC=C2)(CCCC3=CC=CC=C3)CO 1 3.168 1 3 1.64559300870008 24819558 COC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)NCCN3CCCC(C3)O)Cl 1 2.302 3 5 0 -11.9422230442504 24819557 C1CN(CCC1N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)F)CC4=CC=C(C=C4)C#CCCO 1 3.596 4 2 -19.8140442338202 24819556 COC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)CC4=CC=C(O4)CO 1 3.317 2 4 9.16433614463017 24819555 CS(=O)(=O)N1CCC(CC1)OC2=CC=CC=C2C(=O)N3CCC[C@H]3CO 1 0.339 2 5 0 -21.2222673636837 24819554 CC1=CC=CC=C1C(=O)N2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 3.667 3 3 -0.696929906334982 24819553 CCOC(=O)C1(CCCN(C1)C(=O)CN2C(=O)CSC2=O)CC3=CC(=CC=C3)Cl 1 2.897 2 5 0 -10.2657019871237 24819552 CC1=CC=C(O1)CN2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCC4=CN=CC=C4 1 2.476 3 3 -9.93799583998156 24819551 CC(C)C1=NC2=C(O1)C=CC(=C2)C(=O)N3CCCC(C3)COC 1 2.584 2 3 -6.10878269453399 24819550 C1CC(CN(C1)CC2=CC=CC=C2F)C(=O)NC3=CC=CC(=C3)N4C=CC=N4 1 3.727 4 1 6.79575266921195 24819549 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)CN3C=NN=N3)NC4=CC(=C(C=C4)F)F 1 2.495 6 1 0 -23.5011414688955 24819548 CCN1C=C(C=N1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC 1 2.065 6 2 0 -30.5569180868642 24819547 COC1=CC=CC=C1CCCNC(=O)C2CCC(=O)N(C2)CCC3=CC=C(C=C3)Cl 1 4.102 2 3 -23.4884320175951 24819546 COC1=CC=C(C=C1)/C=C/CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4 1 2.628 4 2 -24.8160992919257 24819545 COC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)C3=CC=CO3 1 2.634 1 4 -4.65497916776131 24819544 CCOC(=O)C1CCCN(C1)C(=O)CCC2=NN=C(O2)C3=CC=C(S3)C(=O)C 1 1.815 3 5 0 -25.9695585495992 24819543 CN1C(=CC=N1)C(=O)NC2CCCC3=C2C=NN3C4=CC(=CC(=C4)F)F 1 3.086 5 1 -5.1356402591028 24819542 C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=O)NC3=CC=C(C=C3)Br)O 1 3.194 3 3 -0.525819619753874 24819541 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CN=CC=C4 1 3.998 4 2 -5.91048602623985 24819540 CC1=CC(=C(C=C1)C)CN2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4 1 5.002 4 1 -27.7170067403989 24819539 COC1=CC=CC(=C1)C(=O)C2CCCN(C2)C(=O)C3=CC=CC=N3 1 2.516 2 3 -4.36764310850814 24819538 CC1=C(C2=C(C=C1)C(=C(O2)C(=O)N3CCCCC3CO)C)C 1 3.704 1 3 8.71075314956896 24819537 CC1=CC=C(C=C1)CCCNC(=O)C2CCC(=O)N(C2)CC3=CC(=CC=C3)OC 1 3.603 2 3 -21.8269998173442 24819536 C1CCC(C1)N2CC(CCC2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl 1 3.091 3 2 -13.6057320608582 24819535 CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NCCC3=CCCCC3 1 4.435 2 3 -22.6042347303246 24819534 COCCC1=NC=C(C=N1)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4 1 1.724 5 2 0 8.00368608399546 24819533 CC1=CC=C(O1)C=NNC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC 1 1.251 3 5 0 -17.6147621668675 24819532 C=CCNC(=O)C1(CC=CC1)S(=O)(=O)C2=CC=CC=C2 1 2.059 1 3 -12.1995466501173 24819531 CC1=C(SN=N1)C(=O)NC2CCCC3=C2C=NN3C4=CC(=CC(=C4)F)F 1 3.263 5 1 -6.4112658942202 24819530 COC(=O)C1CCCCN1C(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4 1 2.289 3 5 0 -12.3222113665565 24819529 CC1=C(C(=CC=C1)C)OCC2=CC(=NO2)C(=O)NCC3COCCO3 1 2.123 2 5 0 -21.0839542233133 24819528 CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CN4CCOC4=O)C 1 2.769 4 3 0 -15.0985111010465 24819527 CC1=NC(=CC=C1)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)OC 1 4.009 3 2 7.60361556375756 24819526 C1CC(CN(C1)C(=O)C2=NNC(=O)CC2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 2.135 5 2 0 -5.83976658773005 24819525 CN(CC1=NOC=C1)C(=O)CC2C(=O)NCCN2CC3=C(C(=CC=C3)F)F 1 1.095 4 3 0 -33.5415236833544 24819524 CN1CCN(CC1)CC2=C(N=C3N2C=C(C=C3)Cl)C(=O)N4CCC5=CC=CC=C5C4 1 2.981 5 1 -12.6387403079376 24819523 CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=CC(=NC=C3)Cl)C 1 3.886 3 1 -13.4315040697058 24819522 COC1=CC=CC(=C1)CN2CC(CCC2=O)C(=O)NC3(CC3)C4=CC=CC=C4 1 2.685 2 3 -15.6757665056027 24819521 CCC1=NC(=NO1)CN(C)C(=O)C2CCC(=O)N(C2)CCC3=CC(=CC=C3)F 1 1.674 4 3 0 -22.4703244542371 24819520 CC1=NN(C=C1CN(C)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)Cl)OC)C 1 2.935 4 4 0 -11.2664681175927 24819519 COCCC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3 1 1.235 4 3 0 -40.6923863374863 24819518 CC(C)C1=NC2=C(O1)C=CC(=C2)C(=O)NCC3=CC(=CC(=C3)OC)OC 1 3.504 2 4 -12.0889632204106 24819517 CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N3CCC(CC3)OC 1 2.45 2 3 -6.89139370758085 24819516 CCC1=NN(C(=C1)C(=O)N2CCCC(C2)C(=O)C3=CC(=C(C=C3)OC)F)C 1 3.335 3 3 -11.2790517639913 24819515 CC1=CC(=C(C=C1)C)OCC2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.373 3 3 -5.63957914762977 24819514 COC(C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CCN(CC3)CC4=CC=CC=N4 1 1.938 5 2 0 -43.093312857627 24819513 CC(=O)N1CCC(CC1)OC2=C(C=CC(=C2)C(=O)N3CCSCC3)OC 1 1.013 2 4 0 -13.1148705781785 24819512 CC(=O)C1=CC=C(C=C1)NC(=O)NC2CCCCCCC2 1 3.456 2 2 -10.2240460852508 24819511 CSC1=CC=CC=C1NC(=O)NC2=CC=CC3=CC=CC=C32 1 3.973 2 1 -9.74074564543256 24819510 COC1=C(C=C(C=C1)CN2CCNC(=O)C2CC(=O)NC3CCCCCCC3)OC 1 2.963 3 4 0 -37.1748062102132 24819509 CN(CC1=CC(=CC=C1)OC)C(=O)C2CCC(=O)N(C2)CC3=CC(=CC=C3)F 1 2.751 2 3 -17.6953952677823 24819508 COC(=O)C1CCN(CC1)C(=O)C2CCC(=O)N(C2)CCC3=CC(=CC=C3)F 1 1.832 2 4 0 -17.4442081992982 24819507 CC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4 1 3.523 2 3 -8.85926642280637 24819506 CC(C)(C#CC1=CC=C(C=C1)CN2CCCC(C2)CNC(=O)C3=CC=CO3)O 1 3.279 2 3 -3.59367639759011 24819505 C1CC(CN(C1)C(=O)C2=CC=CS2)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.66 3 1 -2.17598758306112 24819504 CCN1C=C(C(=N1)C)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5 1 2.132 6 3 0 -31.8146814451797 24819503 COCC1CCCCN1C(=O)C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=CC=N4 1 2.801 3 3 -8.52745364133201 24819502 C1CN(CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)Cl)CC4=CC=C(O4)CO 1 3.998 2 3 11.120595490733 24819501 CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=NO2)C3=CC=C(C=C3)C(=O)OC)C(=O)OC 1 3.513 2 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24819489 CN1C(=CC=N1)C(=O)N(CCN2CCCCC2)CC3CCCN(C3)C4CCCC4 1 3.337 5 1 -8.68615726725582 24819488 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CCC4=NNC(=O)CC4)C 1 2.467 5 2 0 -19.506061636864 24819487 CC1=NC=C(N=C1)C(=O)NC2CC(CC3=C2C=NN3C4=CC=C(C=C4)OC)(C)C 1 2.585 5 2 0 -16.3097638458627 24819486 CC1=CC=C(O1)C(C)CCN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=C(C=C4)OC 1 3.426 4 3 0 -26.2407528565244 24819485 CCN1C=C(C=N1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4 1 2.088 6 1 0 -26.5770475972196 24819484 COC(=O)C1=CC=C(C=C1)CN2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4 1 3.377 4 3 0 5.76268510682746 24819483 COC1CCN(CC1)CC2=C(N=C3N2C=C(C=C3)Cl)C(=O)N4CCC5=CC=CC=C5C4 1 2.865 4 2 -15.9344710141075 24819482 C1CN(CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)CC4=CC=C(S4)Cl 1 3.563 3 2 -2.99987176317323 24819481 CC1=C(N=C(O1)C2=C(C=C(C=C2)OC)F)CN3CCN(CC3)C(=O)C4=CC=CO4 1 2.552 3 4 0 11.7272768414699 24819480 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CCN4CCCC4=O)C 1 2.811 4 2 -12.9398075813365 24819479 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CC(CC(F)(F)F)N1CCC(CC1)N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3 1 2.68 4 2 -35.4699612716237 24819447 CC1=NC(=CS1)CNC(=O)CC2C(=O)NCCN2CC3=C(C=C(C=C3)OC)F 1 0.929 4 3 0 -36.0478369803381 24819446 C1CCC(=CC1)CCNC(=O)CC2C(=O)NCCN2CC3=CC=CC=C3 1 2.552 3 2 -37.2489930327548 24819445 CC1(C(=C(OC1=O)C2=CC=C(C=C2)OC)C(=O)OC)C 1 2.317 0 5 -3.5882802643764 24819444 COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3O2)C(=O)OCC4=CC=CC=C4OC 1 5.349 0 5 1.16860471423887e-002 24819443 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N4CCN(CC4)C5=NC=CC=N5 1 0.402 5 2 0 -1.95538035429301 24819442 CN(CC1=CC(=CC=C1)OC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC 1 4.911 2 4 -6.66148907182527 24819441 CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)NCCC3=CC=C(C=C3)OC 1 4.36 2 3 -11.2480212336848 24819440 C1=CC(=CC=C1CNC(=O)CC2=CSC=C2)S(=O)(=O)N 1 1.023 2 3 0 -16.6739155356604 24819439 CN(CC1=CC=C(C=C1)F)C(=O)C2=C(C=CS2)C3=CC=CC=C3 1 4.504 1 1 -1.87625098919145 24819438 CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NCC(C4=CC=CC=C4)N(C)C 1 4.322 5 1 -16.8039352207457 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C1CN(CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)CC4=C(C=C(C=C4)F)F 1 3.775 3 2 -7.26881852836278 24819171 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NOC(=C2)COC3=C(C=CC=C3F)F 1 3.724 2 5 0 -20.8448236441917 24819170 CC1=C(C(=CC=C1)C)OCC2=CC(=NO2)C(=O)N3CCNC(=O)C3 1 1.622 3 4 0 -24.7172012323636 24819169 CC1CCCN(C1)C(=O)C2CCN(CC2)C3=NC(=NC4=C3CCC4)C5=CC=CC=C5 1 3.939 4 1 3.49033447234575 24819168 COC1=CC=C(O1)C(=O)NC2CCCC3=C2C=NN3C4=CC=CC=C4F 1 3.442 3 3 -6.5457658261744 24819167 CC1=CSC(=N1)CN(C)C(=O)C2=NOC(=C2)COC3=CC=CC(=C3)OC 1 2.27 3 4 0 -14.2663740027203 24819166 C1CC2=C(C1)N=C(N=C2N3CCC(CC3)C(=O)N4CCC(CC4)O)C5=CC=CC=C5 1 2.135 4 2 4.88646414177802 24819165 CCC1=NC=CN1CCC(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4C 1 3.108 5 1 -3.19488853225032 24819164 C1CC(=O)N(CC1C(=O)N2CCSCC2)CCC3=CC(=CC=C3)F 1 1.937 2 2 0 -15.3807777827682 24819163 COC1=CC=C(C=C1)C2=C(C3=C(O2)C=CC=N3)/C=C/C4=CC(=C(C=C4)OC)OC 1 5.158 1 4 3.00344426179715 24819162 CC(C)(C1=C(NC2=C1C=C(C=C2)C#N)C(C)(C)O)O 1 2.249 2 2 -1.7148013420095 24819161 CC(C)(C1=C(NC2=C1C=CC(=C2)F)C(C)(C)O)O 1 2.576 1 2 3.02078783165935 24819160 COC1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)N4CCOCC4)/C=C/C5=CC=C(C=C5)C(=O)OC 1 5.618 1 5 4.15092846654972 24819159 COC1=CC=C(C=C1)/C=C/C2=C(OC3=C2N=CC=C3)C4=CC=C(C=C4)OC 1 5.174 1 3 6.28901047420141 24819158 CN1C2=C(C=C(C=C2)C#CC3=CC=CC=N3)C(=O)C4=CC=CC=C41 1 4.546 2 1 5.15954960372579 24819157 COC1=CC=C(C=C1)/C=C/C2=C(OC3=CC=CC=C32)C4=CC=C(C=C4)OC 1 5.896 0 3 7.41648970858261 24819156 COC1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)N4CCOCC4)/C=C/C5=CC(=C(C=C5)OC)OC 1 5.73 1 5 4.13428562868889 24819155 C1[C@H](O[C@]2(CC3=CC=CC=C3CO2)[C@H]([C@@H]1O)O)CCO 1 -9.2e-002 0 5 0 1.47945665410548 24819154 CC1CN(CCN1C)C(=O)C2=CC(=C(C=C2)OC)OC3CCN(CC3)C(=O)C 1 0.916 3 4 0 -10.646045101448 24819153 C1CCN(C1)C(=O)C2=CC3=C(C=C2)OC(=N3)CCCC4=CC=CC=C4 1 4.102 2 2 -3.6793465868415 24819152 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C 1 4.237 4 6 0 -19.3060040951591 24819151 CC(C)(C1=C(NC2=C1C=CC(=C2)C(=O)OC)C(C)(C)O)O 1 2.226 1 4 -3.95024849772643 24819150 C[C@@H](C1=C(NC2=C1C=C(C=C2)C(=O)OC)[C@H](C)O)O 1 1.709 1 4 0 -4.63017119051581 24819149 CC(=O)N1C=C(C2=CC=CC=C21)CO 1 1.508 1 2 0 2.65236178744756 24819148 COC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)NCC4=CC5=C(C=C4)OCO5 1 4.666 1 4 -2.9721135112841 24819147 CC(C#CC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC=C3OC)NC 1 3.453 1 3 -1.97035533277602 24819146 COC1=CC=C(C=C1)C2=C(SC3=CC=CC=C32)C4=CC=CC=C4OC 1 5.987 0 2 4.86866631206069 24819145 COC(=O)C1=CC=C(C=C1)/C=C/C2=C(SC3=CC=CC=C32)C4=CSC=C4 1 6.005 0 2 1.55146063439193 24819144 COC(=O)C1=CC=C(C=C1)/C=C/C2=C(OC3=C2C=C(C=C3)N4CCOCC4)C5=CSC=C5 1 5.296 1 4 2.37649580271789 24819143 COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3O2)/C=C/C4=CC=C(C=C4)C(=O)OC 1 5.768 0 4 4.00772842981754 24819142 COC1=CC=C(C=C1)/C=C/C2=C(OC3=C2C=C(C=C3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC 1 7.398 0 4 9.38039842246167 24819141 C1CN(CCC1C(=O)N2CCOCC2)C3CCN(CC3)C(=O)C4=C(C=C(C=C4)F)F 1 1.339 3 3 0 -4.1806328022372 24819140 CC1=CC(=C(C=C1)C)OCC2=CC(=NO2)C(=O)N3CCNC(=O)C3 1 1.622 3 4 0 -22.3284636290028 24819139 COC1=CC(=C(C=C1)CN2CCNC(=O)C2CC(=O)NCCC3=CCCCC3)F 1 2.741 3 3 -36.2747017859664 24819138 C1CN(CCN(C1)C(=O)CC2C(=O)NCCN2CC3=CC(=CC=C3)OC4=CC=CC=C4)C=O 1 1.192 4 4 0 -28.6793736616382 24819137 CCOC1=CC=CC(=C1)CN2CCC(CC2)N3CCC(CC3)C(=O)NCC4CCCO4 1 2.385 3 3 -5.79986409682707 24819136 CC1(C(=O)NCCN1C(=O)C2=CC(=CC=C2)OC3CCN(CC3)CC(C)(C)C)C 1 2.478 3 3 -19.5065436287301 24819135 CN(CC1CCCN(C1)CCC2=CC=C(C=C2)OC)C(=O)C3=COC=C3 1 2.93 2 3 -1.2440955754596 24819134 CC1=NN(C(=C1CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4)Cl)C 1 2.48 6 1 0 -24.6342665726155 24819133 CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)OC3CCN(CC3)C4CCN(CC4)C 1 3.204 3 2 -7.58384223288495 24819132 C1CCC(CC1)CN2CCNC(=O)C2CC(=O)NCCCN3CCOCC3 1 0.719 4 3 0 -36.2715091511238 24819131 CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C(NC(=O)N2)C3=CC(=C(C=C3)OC)OC)C(=O)OC 1 2.344 2 7 0 -30.6691476541137 24819130 CC1(C(N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OCC4=CC5=CC=CC=C5N4S(=O)(=O)C6=CC=CC=C6)C 1 4.462 3 7 0 -13.1724595021875 24819129 CCOC(=O)/C=C/1\CN(S(=O)(=O)C2=CC=CC=C12)CC3=CC=C(C=C3)OC 1 2.899 1 5 -0.189602778428718 24819128 CC(=NNS(=O)(=O)C1=CC=C(C=C1)OC)C2=CC=CO2 1 1.745 2 4 0 -3.45233183583909 24819127 COCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3 1 2.578 4 2 -18.8905004459363 24819126 C1=CC=C(C(=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)Br)Br 1 4.771 3 1 -6.90991163451559 24819125 C1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC(=CC=C2)Cl 1 3.938 3 1 -4.37863560756387 24819124 CC1=CC(=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC(=CC=C2)F)C 1 2.66 3 3 -3.30815736762161 24819123 CC1=CC(=C(C=C1)C)S(=O)(=O)NNC(=O)NC2=CC=CC=C2Cl 1 3.119 3 3 -7.75147296106638 24819122 CC(=O)C1=CC=C(C=C1)NC(=O)NNC(=O)COC2=CC3=C(C=C2)C=C(C=C3)OC 1 2.247 3 5 0 -9.34422681786103 24819121 CCCNC(=O)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4 1 2.977 4 4 0 -13.0381507383948 24819120 CC(C(=O)NNC(=O)NC1=CC=C(C=C1)OC)OC2=CC3=CC=CC=C3C=C2 1 2.991 3 4 0 -5.16964514520354 24819119 CC1=C(C(=CC=C1)NC(=O)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C 1 2.481 4 5 0 -9.56899816185885 24819118 CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC3=C(CCC3)C=C2 1 3.319 2 2 -8.65328696112519 24819117 CC(C1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC=C(C=C3)F 1 2.88 2 3 -6.81845949605579 24819116 CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCC3CCN(C3)C4CCCC4)C5CCN(CC5)C(=O)OC(C)(C)C)C 1 5.483 5 3 0 -4.75857054197812 24819115 C1=CC2=C(C=C1C(=O)NCCO)NC(=C(C2=O)O)C3=CC(=C(C(=C3)Cl)N)Cl 1 1.674 3 4 0 -11.7117770263255 24819114 CC1(CCC(=O)N2CC[C@@H]3[C@H]2[C@H]1C[C@H](C3)OC(=O)NC4=CC=CC=C4)C 1 3.133 2 3 -7.17551880245641 24819113 C1=CC(=C(C=C1Br)Cl)NC(=O)NC2=CC=NC=C2 1 2.785 3 1 -1.54329009345954 24819112 CC1=CC(=CC(=C1)NC(=O)NC2=C(SC=C2)C(=O)OC)C 1 3.304 2 3 -8.38451207999148 24819111 CC1=CC=CC=C1NC(=O)NC2=C(SC=C2)C(=O)OC 1 2.817 2 3 -10.3166155890096 24819110 COC1=CC=CC(=C1)NC(=O)N2CCCCCC2 1 2.509 2 2 -5.45884478106902 24819109 CCOC1=CC=C(C=C1)NC(=O)NC2CCCC3=CC=CC=C23 1 3.878 2 2 -5.21192426677255 24819108 C1CC(C2=CC=CC=C2C1)NC(=O)NC3=C(C=C(C=C3)F)F 1 3.956 2 1 -4.84990609269166 24819107 CC1=CC(=C(C=C1)NC(=O)NC2CCCCCCC2)C 1 4.689 2 1 -10.3989434763622 24819106 C1CCCC(CCC1)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.611 3 3 -8.56538328889921 24819105 CC1=CC=CC=C1NC(=O)NCCCCC2=CC=CC=C2 1 4.249 2 1 -11.7218700487772 24819104 C1CCC(=NNC(=O)C2=CC(=CC(=C2)O)O)C1 1 1.468 2 3 0 -5.91557367828853 24819103 CC(=NNC(=O)C1=CC=C(C=C1)O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.241 3 3 -10.2867694310714 24819102 CC(=NNC(=O)C1=C(C(=CC=C1)OC)OC)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F 1 3.621 3 4 0 -11.3665564862771 24819101 CCCC(=NNC(=O)C1CCCC1)C2=CC=CC=C2 1 3.792 2 1 -6.87677683874256 24819100 CC(=NNC(=O)C1CCCC1)C2=CC=C(C=C2)Cl 1 3.334 2 1 -2.5550099204052 24819099 CCOC1=CC=C(C=C1)CC(=O)NN=C(C)C2=CN=CC=C2 1 1.88 3 2 0 -7.90301790299444 24819098 CC(=NNC(=O)CCC1=CC=C(C=C1)OC)C2=CC3=C(C=C2)OCO3 1 2.906 2 4 -10.6171501445867 24819097 CCC(=NNC(=O)CC1=CC=C(C=C1)Br)C2=CC=CS2 1 4.067 2 1 -6.7265659602473 24819096 CCOC(=O)NN=CC1=CC=C(C=C1)OC/C=C/C2=CC=CC=C2 1 4.045 2 3 -6.38843488533234 24819095 COC1=C(C=CC(=C1)C=NNC(=O)OC)OC/C=C/C2=CC=CC=C2 1 3.68 2 4 -9.56036826032695 24819094 COC(=O)NN=CC1=CC=CC=C1OC/C=C/C2=CC=CC=C2 1 3.697 2 3 -4.33428104809428 24819093 COC1=CC(=C(C=C1)S(=O)(=O)NN=CC2=CC3=C(C=C2)OCO3)OC 1 2.121 2 6 0 -2.97074108340176 24819092 C1=CC=C2C(=C1)C(=CN2CC(=O)N)C=NNS(=O)(=O)C3=CC=C(C=C3)F 1 1.945 4 3 0 -3.1231747251001 24819091 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=N3 1 3.232 4 2 -5.31680635293176 24819090 C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 3.227 2 5 0 -0.486058334496416 24819089 C1=CN=CC=C1C=NNC(=O)C2=CC=C(S2)Br 1 2.054 3 1 -3.26033431596219 24819088 COCC(=O)NN=CC1=CC(=C(C=C1)OC/C=C/C2=CC=CC=C2)OC 1 2.774 2 4 -9.87796111755969 24819087 C1=CC=C(C(=C1)CC(=O)NN=CC2=CN=CC=C2)[N+](=O)[O-] 1 1.461 4 3 0 -9.44688496560965 24819086 CC1=CC=C(S1)C=NNC(=O)CC2=CC=C(C=C2)O 1 2.575 2 2 -0.93686550186398 24819085 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CC(C)N1CCC(CC1)OC2=C(C=CC(=C2)C(=O)N(C)CC3=CC=CC=N3)OC 1 2.696 3 3 -13.4342410930462 24818891 COC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)N3CCN(CC3)C4CCCC4)Cl 1 3.779 3 4 0 -7.15360688846741 24818890 CC1=CC2=NC(=C(N2C=C1)CNCC3COCCO3)C(=O)N4CCCCCC4 1 1.61 4 3 0 -19.080170482055 24818889 CC1=C(C=CO1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 3.693 3 2 7.5012925364426 24818888 CC1CN(CCN1C(=O)C2=CN(N=N2)CC3CCCCC3)C4=CC=C(C=C4)C 1 4.536 5 1 -17.7433621008657 24818887 CC1=CC=CC=C1CNC(=O)C2CCC(=O)N(C2)CC3=CC(=CC=C3)F 1 3.047 2 2 -19.4781345734633 24818886 COC1=CC=CC(=C1)CN2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4 1 3.347 3 3 -8.30534203576773 24818885 COCC1CCCN(C1)C(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl 1 3.818 2 3 -2.9331139614159 24818884 COC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=C(N=CC=C3)SC)OC 1 3.088 3 3 -20.8361291892373 24818883 C1CCN(C(C1)CCO)C(=O)C2=CC(=CC=C2)OC3CCN(CC3)C(=O)C4CC4 1 1.824 2 4 0 -16.1059671103943 24818882 C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)OC)Cl 1 2.862 2 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-3.1566865406681 24818754 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=O)NC3=C(C=C(C=C3)F)F 1 3.709 3 2 -2.95082571573315 24818753 COC1=CC=CC=C1NC(=O)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.281 3 3 -6.96102109845862 24818752 CC1=C(C=C(C=C1)NC(=O)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C 1 2.481 4 5 0 -9.69593342347597 24818751 CCC1=CC=C(S1)C(=O)NN=C(C)C2=CN=CC=C2 1 2.279 3 1 -7.69022354468495 24818750 C1=CC(=CC(=C1)F)NC(=O)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.714 4 5 0 -7.6570129432054 24818749 CN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC(=CC(=C3)O)O)C4=CC=CC=C41 1 3.898 3 3 0.774660342008187 24818748 COC1=CC(=C(C=C1)NC(=O)NNC(=O)COC2=CC3=C(C=C2)C=C(C=C3)Br)OC 1 3.239 3 5 0 -10.2514155230917 24818747 C1=CC(=CC=C1NC(=O)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.403 5 7 0 -10.2743375510534 24818746 COC1=CC(=C(C=C1)OC)S(=O)(=O)NN=CC2=CN(C3=CC=CC=C32)CC(=O)N 1 1.706 4 5 0 -4.97510709534316 24818745 CCCCCCOC1=CC=C(C=C1)C=NNC(=O)C2CC2 1 4.001 2 2 -7.56101672982018 24818744 C1=CC=C(C=C1)/C=C/COC2=CC=CC=C2C=NNC(=O)CC#N 1 3.113 3 2 -9.35437871498917 24818743 C1=CC=C(C=C1)/C=C/COC2=CC=C(C=C2)C=NNC(=O)CC#N 1 3.113 3 2 -11.3672847978294 24818742 CCOC1=CC(=C(C=C1)C=NNC(=O)C2CC2)OCC 1 2.441 2 3 -6.45788096570802 24818741 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2Br)COC3=C(C(=CC(=C3F)F)F)F 1 5.804 2 3 -7.1466040624698 24818740 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=C(C=C2)OC)OC)COC3=C(C(=C(C(=C3F)F)F)F)F 1 5.228 2 5 0 -11.0867977160812 24818739 CCOC1=CC=CC(=C1)C(=O)NN=CC2=COC=C2 1 2.119 2 3 -9.90024086528809 24818738 CC1=CC=C(C=C1)NC(=O)NC2=C(SC=C2)C(=O)OC 1 2.817 2 3 -7.99574808116141 24818737 COC1=CC=C(C=C1)NC(=O)NCCCCC2=CC=CC=C2 1 3.747 2 2 -8.27449165998763 24818736 CC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)OCO3 1 2.777 2 3 -8.82448445328835 24818735 COC(=O)C1=C(C=CS1)NC(=O)NC2=CC=CC=C2Cl 1 2.996 2 3 -7.75125854159116 24818734 CC1=CC(=C(C=C1)C)NC(=O)NC2=CC3=C(C=C2)OCO3 1 3.263 2 3 -8.17827126521278 24818733 CC1=C(C(=CC=C1)NC(=O)NC2=C(SC=C2)C(=O)OC)C 1 3.304 2 3 -6.74566354111125 24818732 CC1=CC(=C(C=C1)NC(=O)NC2=CC3=C(CCC3)C=C2)C 1 4.552 2 1 -9.81956464354509 24818731 CC1=C(C=C(C=C1)NC(=O)NC2=C(SC=C2)C(=O)OC)C 1 3.304 2 3 -8.24366289580152 24818730 CC(=O)C1=CC=C(C=C1)NC(=O)NC2=C(SC=C2)C(=O)OC 1 2.071 2 4 -11.7104306119581 24818729 CCOC1=CC=CC=C1NC(=O)NC2=C(SC=C2)C(=O)OC 1 2.664 2 4 -12.0058453608175 24818728 CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CN=CC=C4 1 4.638 4 1 -3.9627341132762 24818727 C1=CC(=CN=C1)C=NNC(=O)CC2=CC=C(C=C2)O 1 1.325 3 2 0 -2.72112711525892 24818726 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CN=CC=C4 1 3.649 4 2 -5.14426287453183 24818725 CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CN=CC=C4 1 4.522 4 2 -3.74591457252841 24818724 CCCOC1=CC=CC(=C1)C(=O)NN=CC2=COC3=CC=CC=C3C2=O 1 2.95 2 4 -6.11354681198817 24818723 CC(C)COC1=CC=C(C=C1)C(=O)NN=CC2=COC=C2 1 2.962 2 3 -11.3900986866035 24818722 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])COC3=C(C(=CC(=C3F)F)F)F 1 4.95 3 5 0 -9.98816929155555 24818721 CC1=CC(=C(C=C1)OC)NC(=O)NC2CCCCCCC2 1 4.186 2 2 -10.0328390595702 24818720 CC(=O)C1=CC(=CC=C1)NC(=O)NC2CCCCCCC2 1 3.456 2 2 -9.08032747757523 24818719 CC1=C(C=C(C=C1)NC(=O)NC2CCCCCCC2)C 1 4.689 2 1 -6.75727836909423 24818718 CCOC1=CC=C(C=C1)NC(=O)NC2CCCCCCC2 1 4.049 2 2 -7.68855291530628 24818717 COC1=CC(=C(C=C1)NC(=O)NC2CCCCCCC2)OC 1 3.684 2 3 -12.2052806835642 24818716 COC1=CC(=C(C=C1)OC)NC(=O)NC2CCCCCCC2 1 3.684 2 3 -10.2979128048973 24818715 CCOC1=CC=CC=C1NC(=O)NC2CCCCCCC2 1 4.049 2 2 -11.9615678758184 24818714 C1CCCC(CCC1)NC(=O)NC2=CC=C(C=C2)Br 1 4.465 2 1 -6.14402460896873 24818713 CC1=CC=C(C=C1)NC(=O)NC2CCCCCCC2 1 4.203 2 1 -6.50936355445411 24818712 CCC1=CC=C(C=C1)NC(=O)NC2CCCCCCC2 1 4.659 2 1 -6.7488016902332 24818711 CC1=CC(=CC=C1)NC(=O)NC2CCCCCCC2 1 4.203 2 1 -4.62171800112498 24818710 C1CCCC(CCC1)NC(=O)NC2=CC=CC=C2Cl 1 4.381 2 1 -7.63593810795702 24818709 C1CCCC(CCC1)NC(=O)NC2=CC(=CC=C2)F 1 3.922 2 1 -4.71835788882367 24818708 C1CCCC(CCC1)NC(=O)NC2=C(C=C(C=C2)F)F 1 4.127 2 1 -7.32653474122538 24818707 CC(=NNC(=O)C1=CC=C(C=C1)OC)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3F 1 3.637 3 3 -11.1595896772022 24818706 CC(=NNC(=O)C1CCCC1)C2=CC=C(C=C2)NC(=O)C(F)(F)F 1 2.878 3 2 -7.22571110342866 24818705 CC(=NNC(=O)C1=C(C=CC(=C1)Br)O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3F 1 4.16 3 3 -4.12505047438793 24818704 CCC(C1=CC=CC=C1)C(=O)NN=C(C)C2=CN=CC=C2 1 2.466 3 1 -10.712304299286 24818703 CC(=NNC(=O)C1=CC=C(C=C1)F)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)F 1 3.859 3 2 -8.43967768416275 24818702 CC(=NNC(=O)C1=C(C=CC(=C1)O)O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Cl 1 3.628 3 4 0 -1.39148391455881 24818701 CC(=NNC(=O)C1=C(C=CC(=C1)O)O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl 1 3.628 3 4 0 -0.859423292804357 24818700 CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=NNC(=O)C3=CC=C(C=C3)O)C 1 3.692 3 3 -10.0639014465597 24818699 CC(=NNC(=O)C1=C(C=C(C=C1)OC)OC)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F 1 3.621 3 4 0 -8.60431162367583 24818698 CC(=NNC(=O)C1=CC=CC=C1F)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 3.654 3 2 -11.1919774044478 24818697 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=NNC(=O)C3=CC=CC=C3F)C 1 4.14 3 2 -10.6726677465237 24818696 COC1=CC=C(C=C1)C=NNC(=O)C2CCCC2 1 2.672 2 2 -2.94586470061665 24818695 C1=CC(=C(C(=C1)Cl)CC(=O)NN=CC2=CN=CC=C2)Cl 1 2.896 3 1 -6.21277477411422 24818694 CC(=O)OC1=C(C=C(C=C1OC)C=NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)OC 1 3.936 2 5 0 -5.27517968239733 24818693 C1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NN=CC4=CN=CC=C4 1 4.33 4 1 -4.4128337500693 24818692 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NN=CC3=C(C(=C(C(=C3F)F)F)F)F 1 5.229 2 1 -2.78572045597346e-002 24818691 CCOC1=CC=CC=C1C(=O)NN=CC2=COC=C2 1 2.119 2 3 -9.91338888289755 24818690 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2[N+](=O)[O-])COC3=C(C(=C(C(=C3F)F)F)F)F 1 5.155 3 5 0 -10.5216922140137 24818689 CCOC1=C/C(=C/NNC(=O)C2CCCC2)/C=CC1=O 1 1.049 2 3 0 -2.91936765063289 24818688 CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)C2CCCC2 1 4.089 2 1 4.52356576387936e-002 24818687 CCOC1=CC=CC=C1C(=O)NN=CC2=COC3=C(C2=O)C=C(C=C3)Cl 1 3.09 2 4 -3.09487195047802 24818686 CCOC1=CC=CC(=C1)C(=O)NN=CC2=COC3=CC=CC=C3C2=O 1 2.426 2 4 -6.56853559600139 24818685 COC1=CC(=C(C=C1)NC(=O)NC2CCCC3=CC=CC=C23)OC 1 3.512 2 3 -9.7286520350305 24818684 CC1=CC=C(C=C1)NC(=O)NC2CCCC3=CC=CC=C23 1 4.031 2 1 -4.03273490592039 24818683 C1CC(C2=CC=CC=C2C1)NC(=O)NC3=CC(=CC=C3)F 1 3.751 2 1 -2.33912346681472 24818682 CC1=CC=CC=C1NC(=O)NC2CCCC3=CC=CC=C23 1 4.031 2 1 -7.89307950385413 24818681 CC(C)C1=CC=C(C=C1)NC(=O)NC(C)C2=CC3=C(C=C2)OCO3 1 3.869 2 3 -7.12587215661097 24818680 COC1=CC=CC=C1NC(=O)NCCCCC2=CC=CC=C2 1 3.747 2 2 -12.6888920203402 24818679 CCC1=CC=CC=C1NC(=O)NNS(=O)(=O)C2=C(C=CC(=C2)C)C 1 3.397 3 3 -9.87243890601638 24818678 CC1=CC(=C(C=C1)S(=O)(=O)NNC(=O)NC2=C(C=CC(=C2)OC)OC)C 1 2.422 3 5 0 -8.88771228369523 24818677 CC1=CC(=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC(=C(C=C2)C)C)C 1 3.427 3 3 -5.68261280779515 24818676 CC1=CC(=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C 1 2.349 4 5 0 -7.05372291638765 24818675 CC1=CC(=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=CC=C2F)C 1 2.66 3 3 -7.34141510097314 24818674 CCOC1=CC=C(C=C1)NC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.63 2 4 -7.36749071871433 24818673 C1=CC=C(C=C1)CCCCNC(=O)NC2=C(C=C(C=C2)F)F 1 4.174 2 1 -8.67869663761476 24818672 CCOC1=CC=CC=C1NC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.63 2 4 -11.6405056792265 24818671 CCOC1=CC=CC=C1NC(=O)NCCCCC2=CC=CC=C2 1 4.095 2 2 -13.4821427692202 24818670 CC1=CC=C(C=C1)NC(=O)NCCCCC2=CC=CC=C2 1 4.249 2 1 -7.86152545084349 24818669 CC1=CC(=CC=C1)NC(=O)NCCCCC2=CC=CC=C2 1 4.249 2 1 -6.07127412403914 24818668 COC1=CC=CC(=C1)NC(=O)NCCCCC2=CC=CC=C2 1 3.747 2 2 -8.01518049182475 24818667 C1=CC=C(C=C1)CCCCNC(=O)NC2=CC=C(C=C2)F 1 3.968 2 1 -7.14964842537824 24818666 CC(C1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC(=CC=C3)F 1 2.88 2 3 -5.87916876011223 24818665 CCC1=CC=C(C=C1)NC(=O)NC(C)C2=CC3=C(C=C2)OCO3 1 3.617 2 3 -7.76977465730013 24818664 CCC1=CC=CC=C1NC(=O)NC(C)C2=CC3=C(C=C2)OCO3 1 3.617 2 3 -10.7778770199739 24818663 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=NC=CN=C2 1 0.655 5 3 0 -5.43468678082143 24818662 CC1=C(C=C(C=C1)NC(=O)NCCCN2CCCC2=O)C 1 1.634 3 2 0 -20.452382886325 24818661 CC1=CC=CC=C1NC(=O)NCCCN2CCCC2=O 1 1.148 3 2 0 -23.8963996726062 24818660 C1CC(=O)N(C1)CCCNC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 1.991 3 2 0 -19.4991873361708 24818659 CCCCC1=CC=C(C=C1)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 3.47 4 2 -13.7333969797081 24818658 COC1=CC(=C(C=C1)OC)NC(=O)NC2=CC3=C(CCC3)C=C2 1 3.547 2 3 -9.71853397208015 24818657 CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(CCC3)C=C2)C 1 4.552 2 1 -6.55379556729718 24818656 COC1=CC=CC(=C1)NC(=O)NC2=CC3=C(CCC3)C=C2 1 3.563 2 2 -6.13858385246055 24818655 COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCC3)C=C2 1 3.563 2 2 -6.27577977337797 24818654 CCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCC3)C=C2 1 3.912 2 2 -7.04200292508599 24818653 C1CC2=C(C1)C=C(C=C2)NC(=O)NC3=CC=CC=C3F 1 3.785 2 1 -8.17223678935806 24818652 C1CC2=C(C1)C=C(C=C2)NC(=O)NC3=CC=C(C=C3)F 1 3.785 2 1 -5.15093653876858 24818651 CCC1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2 1 2.321 3 1 -7.39054751032198 24818650 CCCCC1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2 1 3.233 3 1 -7.97424994124745 24818649 COC1=CC(=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=CC=C2OC)OC 1 1.433 3 6 0 -11.5444263252341 24818648 COC1=CC=CC(=C1)NC(=O)NNC(=O)CCC2=CC(=C(C=C2)O)O 1 1.77 3 5 0 -3.79689880733754 24818647 COC1=CC(=C(C=C1)NC(=O)NCC2=CN=CC=C2)OC 1 1.346 3 3 0 -12.7118539501565 24818646 CC1=CC(=C(C=C1)NC(=O)NC2=NC=CN=C2)C 1 1.733 4 1 0 -7.26824696828445 24818645 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NNC(=O)NC3=CC=CC=C3F 1 2.728 3 3 -7.35760293220594 24818644 CN1CCN(CC1)NC(=O)NC2=CC=C(C=C2)Br 1 1.365 4 1 0 -0.435323177859279 24818643 CC1=CC(=C(C=C1)C)NC(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.418 3 3 -3.93687697808502 24818642 CC1=CC(=C(C=C1)C)NC(=O)NNS(=O)(=O)C2=CC(=C(C=C2)C)C 1 3.427 3 3 -10.3668578016526 24818641 CC1=CC(=C(C=C1)NC(=O)NN2C=NN=C2)C 1 1.113 5 1 0 -8.21400711116654 24818640 CC1=C(C=C(C=C1)Cl)NC(=O)NN2C=NN=C2 1 1.292 5 1 0 -5.02696381131247 24818639 CC1=CC(=CC=C1)NC(=O)NNC(=O)CCC2=CC=CC=C2 1 2.756 3 2 -8.06227180699927 24818638 CC1=CC(=C(C=C1)C)NC(=O)NNC(=O)CCC2=CC=CC=C2 1 3.243 3 2 -12.7584036424277 24818637 CC1=CC=CC=C1NC(=O)NNC(=O)CCC2=CC=CC=C2 1 2.756 3 2 -13.7128677317374 24818636 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NNC(=O)CCC2=CC=CC=C2 1 2.148 4 5 0 -16.7946256935774 24818635 CCC1=CC=C(C=C1)NC(=O)NNC(=O)CCC2=CC=CC=C2 1 3.213 3 2 -10.2271338230792 24818634 COC1=CC=CC=C1NC(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2 1 2.507 3 4 0 -9.5634235841125 24818633 CCC1=CC=CC=C1NC(=O)NNC(=O)CCC2=CC=CC=C2 1 3.213 3 2 -13.2684766292689 24818632 COC1=CC2=C(C=C1)C=C(C=C2)OCC(=O)NNC(=O)NC3=CC(=C(C=C3)OC)OC 1 2.474 3 6 0 -10.9307280914095 24818631 COC1=C(C=C(C=C1)NC(=O)NCCCCC2=CC=CC=C2)OC 1 3.73 2 3 -13.1916441998764 24818630 COC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)COC3=CC=CC=C3 1 4.217 2 4 -8.55128761576076 24818629 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)OC)COC3=CC=CC=C3C(=O)N 1 3.219 3 5 0 -11.4454453368705 24818628 CC1=CC2=C(C=C1)OC=C(C2=O)C=NNC(=O)C3=CC=C(C=C3)OC 1 2.563 2 4 -3.28026947529794 24818627 COC1=CC(=CC(=C1)C(=O)NN=CC2=COC=C2)OC 1 1.754 2 4 0 -10.6233004893261 24818626 CC1=CC(=CC(=C1)C(=O)NN=CC2=COC=C2)C 1 2.759 2 2 -8.53080241669066 24818625 CC1=CC=CC=C1OCC2=C(C=CC(=C2)C=NNC(=O)C3=CC=CC=C3OC)OC 1 4.703 2 4 -8.67120876983706 24818624 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2OC)COC3=CC=CC=C3[N+](=O)[O-] 1 4.112 3 6 0 -12.4720921714008 24818623 CC1=CC2=C(C=C1)OC=C(C2=O)C=NNC(=O)C3=CC=CC=C3C 1 3.066 2 3 -5.61664162059041 24818622 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2OC)COC3=C(C(=C(C(=C3F)F)F)F)F 1 5.245 2 4 -7.89769150394842 24818621 C1=CC=C(C=C1)CCC(=O)NNC(=O)NC2=CC=C(C=C2)Br 1 3.019 3 2 -9.48718418831824 24818620 CC1=C(C=CC=C1Cl)NC(=O)NCCCN2CCCC2=O 1 1.813 3 2 0 -20.0757678814803 24818619 C1CC(=O)N(C1)CCCNC(=O)NC2=CC=CC=C2Cl 1 1.326 3 2 0 -21.3310426251878 24818618 COC1=CC=CC(=C1)CN2C=C(C3=CC=CC=C32)C=NNC(=O)C4=CC(=CC(=C4)O)O 1 4.265 3 4 0 -3.08602017650962 24818617 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=CC(=CC(=C3)O)O 1 2.854 4 3 0 -2.6062187153128 24818616 C1=CC(=CC=C1C(=O)NN=CC2=COC=C2)Br 1 2.535 2 2 -7.47500109072523 24818615 C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)C3=CC=CC=C3F 1 4.449 2 2 -3.68159200635725 24818614 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2F)COC3=CC=C(C=C3)F 1 4.645 2 3 -8.90371598158866 24818613 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=CC(=CC=C2)F 1 3.695 2 1 -5.50213177472751 24818612 C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=C3F 1 4.32 2 3 -12.2305559947448 24818611 COC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=NNC(=O)C3=CC=CC=C3)OC 1 4.217 2 4 -8.98438572778263 24818610 C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=O)C3=CC=C(C=C3)Cl 1 2.758 2 3 -2.58924184981232 24818609 CC1=CC2=C(C=C1)OC=C(C2=O)C=NNC(=O)C3=CC=C(C=C3)Cl 1 3.244 2 3 -1.04530457556698 24818608 C1=CC=NC(=C1)CNC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 2.923 3 1 -5.92035931447308 24818607 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCC2=CC=CC=N2 1 1.472 4 4 0 -13.6399035738586 24818606 C1=CC=C2C=C(C=CC2=C1)C(=O)NN=CC3=CC=CS3 1 3.545 2 1 -3.4587544852115 24818605 C1=CC(=C(C(=C1)Cl)CC(=O)NN=CC2=CC=CS2)F 1 3.541 2 1 -8.32051824714204 24818604 CC(C)C1=CC(=C(C(=C1)C(=O)NN=CC2=COC=C2)O)C(C)C 1 3.933 2 3 -1.75056869266247 24818603 COC1=CC(=C(C=C1C(=O)NN=CC2=COC=C2)OC)OC 1 1.737 2 5 0 -12.2759390575566 24818602 COC1=CC(=C(C=C1)C(=O)NN=C2CCCC2)OC 1 1.919 2 3 0 -8.1241415314306 24818601 CC1=C(SC=C1)C(=O)NN=C2CCCCCC2 1 3.304 2 1 -10.6622298615836 24818600 CCC1=CC=C(S1)C(=O)NN=C2CCCCCC2 1 3.63 2 1 -8.31225503911423 24818599 C1CCCC(=NNC(=O)C2=CC=C(S2)Cl)CC1 1 3.277 2 1 -3.61774527222857 24818598 CC1=CC(=C(C=C1)C)NC(=O)NC2CCCCCCC2 1 4.689 2 1 -9.41524406307824 24818597 CC1=CC(=C(C=C1)NC(=O)NNS(=O)(=O)C2=C(C=C(C=C2)OC)OC)C 1 2.422 3 5 0 -11.4494986344602 24818596 CC1=CC(=C(C=C1)NC(=O)NC2=C(SC=C2)C(=O)OC)C 1 3.304 2 3 -10.5142639099964 24818595 COC1=C(C=C(C=C1)NC(=O)NNC(=O)COC2=CC3=C(C=C2)C=C(C=C3)Br)OC 1 3.239 3 5 0 -9.66929762317987 24818594 CC1=CC(=C(C=C1)C)NC(=O)NCC2=CC=CC=N2 1 2.566 3 1 -9.60368152270894 24818593 COC1=C(C=C(C=C1)NC(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2)OC 1 2.655 3 4 0 -8.0634698561423 24818592 COC1=C(C=C(C=C1)NC(=O)N2CCCC3=CC=CC=C32)OC 1 3.226 2 3 -11.9694930387946 24818591 CC(C(=O)NNC(=O)NC1=CC(=C(C=C1)OC)OC)OC2=CC3=CC=CC=C3C=C2 1 2.974 3 5 0 -10.0103160694794 24818590 CC1=CC(=C(C=C1)C)S(=O)(=O)NNC(=O)NC2=CC(=C(C=C2)OC)OC 1 2.422 3 5 0 -12.094855060818 24818589 COC1=CC=C(C=C1)CCC(=O)NNC(=O)NC2=CC(=C(C=C2)OC)OC 1 2.221 3 5 0 -14.6120203382917 24818588 COC1=C(C=C(C=C1)NC(=O)NC2CCCCCCC2)OC 1 3.684 2 3 -11.839482303487 24818587 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(=O)O 1 1.92 2 5 0 -7.33045149435725 24818586 COC1=CC(=C(C=C1)OC)NC(=O)NCCCCC2=CC=CC=C2 1 3.73 2 3 -11.6500747012867 24818585 C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=C(C=C3)CC(=O)O 1 3.095 2 3 -8.1517384520608 24818584 COC1=C(C=C(C=C1)NC(=O)NCC2=CC3=C(C=C2)OCO3)OC 1 2.265 2 5 0 -11.6582580111167 24818583 C1=CC(=CC(=C1)Cl)NC(=O)NC2=NOC=C2 1 2.18 3 2 -0.864848824529508 24818582 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2F)OCCN3CCOCC3 1 2.92 3 4 0 -16.8903031278514 24818581 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=C(C=C3)CC(=O)O 1 1.955 2 5 0 -9.07738818410584 24818580 C1COCCN1CCOC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3F 1 2.937 3 3 -13.1445811922212 24818579 CCC1=CC=C(C=C1)NC(=O)NC2=C(SC=C2)C(=O)OC 1 3.274 2 3 -8.23518621694049 24818578 CCC1=CC=CC=C1NC(=O)NC2=C(SC=C2)C(=O)OC 1 3.274 2 3 -9.87222448654116 24818577 C1=CN=C(C=N1)NC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 2.089 4 1 -2.45128184531309 24818576 CC1=CC(=C(C=C1)C(=NNC(=O)C2(CC2(Br)Br)C)C)C 1 3.807 2 1 -2.7039456881776 24818575 C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)F)C=NNC(=O)C4=CC(=CC(=C4)O)O 1 4.487 3 3 -1.09639034614514 24818574 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.996 3 5 0 -10.8756156330254 24818573 C1OC2=C(O1)C=C(C=C2)C=NNS(=O)(=O)C3=CC=C(C=C3)F 1 2.36 2 4 -1.63478496793144 24818572 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F 1 2.496 2 3 -3.63372340732531 24818571 CC1=CC(=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCO3)OC(F)F 1 3.582 2 4 -7.18756074001336 24818570 COC1=CC=C(C=C1)NC(=O)NNC(=O)COC2=CC3=C(C=C2)C=C(C=C3)Br 1 3.255 3 4 0 -4.82862669890405 24818569 CC1=CC(=C(C(=C1)C)S(=O)(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])C 1 3.259 3 5 0 1.28094174134265 24818568 C1=CC(=C(C=C1Cl)NC(=O)NC2=CC=NC=C2)Cl 1 2.701 3 1 -1.81583193383366 24818567 C1=CC=C(C(=C1)NC(=O)/C(=C/C2=CN=CC=C2)/C#N)[N+](=O)[O-] 1 1.665 4 3 0 -14.589605068326 24818566 CCC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 2.742 3 5 0 -0.557220308121029 24818565 COCC(=O)NN=CC1=C(C(=CC=C1)OC)OC/C=C/C2=CC=CC=C2 1 2.774 2 4 -5.37090926652905 24818564 CC1=C(C=C(C=C1)S(=O)(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])C 1 2.772 3 5 0 -0.177877733575714 24818563 COC1=CC(=C(C=C1)S(=O)(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])OC 1 1.767 3 7 0 -0.80202335812537 24818562 CC(=NNC(=O)CC1=C(C=CC=C1Cl)F)C2=CN=CC=C2 1 2.417 3 1 -9.08403931400119 24818561 CC(=NNC(=O)CC1=CC=CC=C1[N+](=O)[O-])C2=CN=CC=C2 1 1.442 4 3 0 -11.5697122813539 24818560 CC(=NNC(=O)C1=CC=C(S1)Br)C2=CN=CC=C2 1 2.034 3 1 -6.24618763367578 24818559 CCOC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C(C)C4=CN=CC=C4 1 3.978 4 2 -12.487951182811 24818558 CCOC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C(C)C4=CN=CC=C4)OCC 1 4.311 4 3 0 -12.2375204457693 24818557 CC(=NNC(=O)C1=CC(=NC2=C1C=CC=C2Cl)C3=CC=CC=C3)C4=CN=CC=C4 1 4.31 4 1 -7.5993536679827 24818556 CC(=NNC(=O)C1=CC(=C2C=CC(=O)C=C2)NC3=CC=CC=C31)C4=CN=CC=C4 1 2.129 4 2 -9.94524711128185 24818555 CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C(C)C4=CN=CC=C4 1 4.356 4 2 -8.51969541923476 24818554 CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C(C)C4=CN=CC=C4 1 4.132 4 1 -7.66580571892942 24818553 CC(=NNC(=O)CC1=CC=C(C=C1)O)C2=CN=CC=C2 1 1.306 3 2 0 -4.84395443100313 24818552 CC(=NNC(=O)CC1=CC=CC=C1Cl)C2=CN=CC=C2 1 2.212 3 1 -7.06939071282291 24818551 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C(C)C4=CN=CC=C4 1 3.978 4 2 -9.09700594415325 24818550 CC(=NNC(=O)CC1=CC(=C(C=C1)Cl)Cl)C2=CN=CC=C2 1 2.876 3 1 -4.71390248836665 24818549 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2Cl)COC3=C(C(=C(C(=C3F)F)F)F)F 1 5.925 2 3 -6.91106729265619 24818548 C1=CC=C(C=C1)CCC(=O)NNC(=S)NCCC2=CC=CC=C2 1 3.815 3 1 -15.2669000433021 24818547 CC(=NNC(=O)CC1=CC=C(C=C1)Br)C2=CN=CC=C2 1 2.296 3 1 -6.3584895966569 24818546 CC(C)(C(=O)NN=CC1=CC(=C(C=C1)OC/C=C/C2=CC=CC=C2)OC)O 1 3.161 2 4 -9.23424742247486 24818545 CC(C)(C(=O)NN=CC1=CC=C(C=C1)OC/C=C/C2=CC=CC=C2)O 1 3.177 2 3 -5.92333639280802 24818544 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)C=NNC(=O)C4=CC=C(C=C4)N 1 4.225 4 1 -3.18755380492941 24818543 C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)F)C=NNC(=O)C4=CC=C(C=C4)N 1 4.225 4 1 -2.5775794443499 24818542 COC(=O)NN=CC1=CC=C(C=C1)OC/C=C/C2=CC=CC=C2 1 3.697 2 3 -6.3471871309345 24818541 CCOC(=O)NN=CC1=C(C(=CC=C1)OC)OC/C=C/C2=CC=CC=C2 1 4.029 2 4 -5.19229406396855 24818540 CC(CC(=O)NN=CC1=C(C(=CC=C1)OC)OC/C=C/C2=CC=CC=C2)O 1 2.991 2 4 -4.54044712748984 24818539 COC1=C(C=CC(=C1)C(=O)NN=CC2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F)O 1 4.713 3 3 -2.47028548723772 24818538 C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)C3=CC=C(C=C3)C(=O)N 1 3.245 3 3 -5.76791217279178 24818537 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=NNC(=O)C4=CC=C(C=C4)N 1 4.019 4 1 -4.88265873218666 24818536 CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)N)OC 1 3.838 3 4 0 -11.9162209460228 24818535 COC1=C(C=CC(=C1)C(=O)NN=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)O 1 4.507 3 3 -4.63552687085284 24818534 COC1=C(C=CC(=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Cl)O 1 4.521 2 5 0 -7.14504020699487 24818533 CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC(=C(C=C3)O)OC 1 4.343 2 5 0 -9.37021379901255 24818532 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=NNC(=O)C4=CC(=CC(=C4)O)O 1 4.282 3 3 -3.26163172976027 24818531 C1CCC(C1)C(=O)NN=CC2=CC=CO2 1 2.084 2 2 -2.87773316683895 24818530 CC(=O)NN=CC1=CC(=C(C=C1)OC/C=C/C2=CC=CC=C2)OC 1 3.037 2 3 -7.49284291494886 24818529 COC1=C(C=CC(=C1)C=NNC(=O)CC#N)OC/C=C/C2=CC=CC=C2 1 3.097 3 3 -14.6781958274962 24818528 CCC(C1=CC=CC=C1)C(=O)NN=CC2=CN=CC=C2 1 2.486 3 1 -7.53470260920502 24818527 COC1=C(C=C(C=C1)CC(=O)NN=CC2=CN=CC=C2)OC 1 1.534 3 3 0 -8.99080415503541 24818526 CC(=O)NN=CC1=C(C(=CC=C1)OC)OC/C=C/C2=CC=CC=C2 1 3.037 2 3 -2.98579106391823 24818525 C1=CC=C(C(=C1)C(=O)NNC(=S)NC2=CC=CC=C2Cl)Br 1 4.687 3 1 -5.86173073707503 24818524 C1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=CC=C2Cl 1 3.938 3 1 -6.19341952386168 24818523 CCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3 1 3.975 4 1 -17.541461966713 24818522 COCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3 1 2.333 5 2 0 -17.495697187944 24818521 COCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3 1 2.515 4 2 -18.2568882700827 24818520 CCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3 1 3.274 5 1 -15.4407774099091 24818519 CC1=C(SC=C1)C=NNC(=O)C2=CC3=CC=CC=C3C=C2 1 4.031 2 1 -1.59242625387784 24818518 CC(=NNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])C2=CC=NC=C2 1 1.11 4 4 0 -9.32043268509043 24818517 CCC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=NC=C2 1 2.158 3 2 -6.39524848207409 24818516 CC(=NNS(=O)(=O)C1=C(C=C(C=C1)OC)OC)C2=CC=NC=C2 1 1.183 3 4 0 -6.64005153207843 24818515 CC1=CC(=C(C(=C1)C)S(=O)(=O)NN=C(C)C2=CC=NC=C2)C 1 2.674 3 2 -4.55708643261041 24818514 CCCCC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=NC=C2 1 3.071 3 2 -6.97895091299956 24818513 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)F)COC3=C(C=CC(=C3)F)[N+](=O)[O-] 1 4.539 3 5 0 -10.2456913581961 24818512 CCOC1=CC(=C(C=C1)C=NNC(=O)C2=CC=CC3=CC=CC=C32)OCC 1 4.256 2 3 -2.62401806635967 24818511 CC1=CC2=C(C=C1)OC=C(C2=O)C=NNC(=O)C3=CC=C(C=C3)O 1 2.338 2 4 -0.987429155014651 24818510 C1=CC(=CC=C1C(=O)NN=CC2=COC3=C(C2=O)C=C(C=C3)Cl)O 1 2.516 2 4 0.858051007348071 24818509 CN1C2=C(C=C(C=C2)C=NNC(=O)C3=C(C=CC(=C3)O)O)C4=CC=CC=C41 1 3.898 3 3 4.59336461584349 24818508 C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=O)C3=C(C=CC(=C3)Br)O 1 2.6 2 4 2.40638996754232 24818507 CN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC(=C(C=C3)O)OC)C4=CC=CC=C41 1 4.124 3 3 -0.599234799084389 24818506 COC1=C(C=CC(=C1)C(=O)NN=CC2=COC3=C(C2=O)C=C(C=C3)Cl)O 1 2.5 2 5 0 -0.216521274327643 24818505 C1OC2=C(O1)C=C(C=C2)C=NNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.048 3 6 0 -5.65112223641375 24818504 CC1=CC=C(S1)C(=O)NN=CC2=CN=CC=C2 1 1.631 3 1 0 -3.85397291522178 24818503 CCOC1=C(C=C(C=C1)CC(=O)NN=CC2=CN=CC=C2)OCC 1 2.232 3 3 -10.2521134865068 24818502 CC1=CC=C(S1)C(=O)NN=CC2=CC=NC=C2 1 1.631 3 1 0 -4.0546395154216 24818501 CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)NN=CC4=CN=CC=C4)C 1 4.622 4 2 -2.85706771759376 24818500 C1=CC(=CN=C1)C=NNC(=O)C2=CC=C(S2)Br 1 2.054 3 1 -3.05966771576238 24818499 CCCC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC3=C(C=C2)OCO3 1 3.553 2 4 -1.19105120386426 24818498 C1=CC(=CN=C1)C=NNC(=O)C2=CC=C(S2)Cl 1 1.945 3 1 0 0.190806140114103 24818497 CC1=C(C=C(C=C1)S(=O)(=O)NN=CC2=CC3=C(C=C2)OCO3)C 1 3.126 2 4 -2.3465954588521 24818496 CCOC1=CC(=C(C=C1)C=NNC(=O)C2CCCC2)OCC 1 3.354 2 3 -2.70873384580019 24818495 CCOC1=CC=C/C(=C\NNC(=O)C2CCCC2)/C1=O 1 1.049 2 3 0 -4.76788731637912 24818494 CCOC1=C(C=CC(=C1)C=NNC(=O)C2CCCC2)OC(C)C 1 3.731 2 3 -8.13096021795748 24818493 COC1=C(C=C(C=C1)C=NNC(=O)C2CCCC2)Br 1 3.421 2 2 -2.86826262698995 24818492 CC1=CC(=C(C=C1)OC)NC(=O)NC2=C(SC=C2)C(=O)OC 1 2.801 2 4 -9.97938664429487 24818491 COC1=CC(=C(C=C1)OC)NC(=O)NC2=NC=CN=C2 1 0.727 4 3 0 -7.16721629681951 24818490 COC1=CC=C(C=C1)NC(=O)NC2=C(SC=C2)C(=O)OC 1 2.315 2 4 -8.23994144139611 24818489 CC1=C(C=C(C=C1)S(=O)(=O)NN/C(=C/2\C=NC3=CC=CC=C32)/C)C 1 2.873 3 2 -5.8276779279038 24818488 CC1=CC=C(C=C1)S(=O)(=O)NN/C(=C/2\C=NC3=CC=CC=C32)/C 1 2.386 3 2 -5.96758236667003 24818487 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NC2=CC3=C(C=C2)OCO3 1 2.671 3 5 0 -8.24813716665247 24818486 COC1=CC=C(C=C1)NC(=O)NC2CCCC3=CC=CC=C23 1 3.529 2 2 -4.44570111506453 24818485 C/C(=C\1/C=NC2=CC=CC=C21)/NNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.795 4 4 0 -9.22959893199023 24818484 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CCC3=CC(=C(C=C3)O)O)[N+](=O)[O-] 1 2.352 3 7 0 -6.17186096017578 24818483 C/C(=C\1/C=NC2=CC=CC=C21)/NNS(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 1.867 3 4 0 -7.03186053785553 24818482 C/C(=C\1/C=NC2=CC=CC=C21)/NNS(=O)(=O)C3=CC=CC=C3 1 1.9 3 2 0 -7.03200500291859 24818481 C/C(=C\1/C=NC2=CC=CC=C21)/NNS(=O)(=O)C3=CC=C(C=C3)Br 1 2.649 3 2 -5.60224342118465 24818480 CC(C)CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=NC=C2 1 2.866 3 2 -2.27704556207128 24818479 CC1=C(C=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=NC=C2)C 1 2.188 3 2 -6.01590590752878 24818478 CCC1=CC=C(S1)C=NNC(=O)CC2=CC(=C(C=C2)OC)OC 1 3.451 2 3 -8.66191374915399 24818477 CCC1=CC=C(S1)C(=O)NN=CC2=CC=NC=C2 1 2.298 3 1 -4.70437022697137 24818476 C1=CC(=C(C(=C1)Cl)CC(=O)NN=CC2=CN=CC=C2)F 1 2.437 3 1 -6.96121199825698 24818475 CCOC1=C(C=CC(=C1)C=NNC(=O)C2CCCC2)OCC=C 1 3.622 2 3 -12.56917364541 24818474 C1CCC(C1)C(=O)NN=CC2=CC(=CC=C2)Cl 1 3.353 2 1 0.452404123256003 24818473 CC1=CC(=C(C=C1)C)S(=O)(=O)NN/C(=C/2\C=NC3=CC=CC=C32)/C 1 2.873 3 2 -5.58086397809421 24818472 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=C(C)C3=CC=NC=C3 1 1.982 4 1 0 -8.255254944973 24818471 CC(=NNC(=O)C1=CC=C(S1)Br)C2=CC=NC=C2 1 2.034 3 1 -6.30136411024211 24818470 CC(=NNC(=O)C1=C(C=C(C=C1)OC)OC)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)OC 1 3.434 3 5 0 -12.3946343501342 24818469 CC(=NNS(=O)(=O)C1=CC=C(C=C1)C(C)(C)C)C2=CC3=C(C=C2)OCO3 1 3.535 2 4 -4.01747567571996 24818468 CC1=CC(=C(C=C1)C)S(=O)(=O)NN=C(C)C2=CC3=C(C=C2)OCO3 1 3.107 2 4 -6.4245065140694 24818467 CC1=C(SC=C1C(=O)NC2=CC=C(C=C2)C(=NNC(=O)C)C)C 1 2.078 3 2 -7.95099776799832 24818466 CC(=NNC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3=CC=C(C=C3)NC(=O)CCCC(=O)O 1 3.014 3 5 0 -23.6156833921953 24818465 CC(=NNS(=O)(=O)C1=CC(=C(C=C1)OC)OC)C2=CC=NC=C2 1 1.183 3 4 0 -11.6403863328554 24818464 CCOC1=CC=CC=C1NC(=O)NNS(=O)(=O)C2=C(C=CC(=C2)C)C 1 2.787 3 4 0 -12.0771027289278 24818463 CC(C)C1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=NC=C2 1 2.41 3 2 -5.87235064964337 24818462 CC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC3=C(C=C2)OCO3 1 2.029 3 6 0 -8.6900076121885 24818461 COC1=C(C=CC(=C1)C(=O)NN=CC2=CC(=CC=C2)OC3=CC=CC=C3)O 1 3.985 2 4 -1.2729445607844 24818460 CC1=C(C=C(C=C1)NC(=O)NN2CCN(CC2)C)C 1 1.59 4 1 0 -1.04857693798477 24818459 CC1=C(C=C(C=C1)NC(=O)N2CCCC3=CC=CC=C32)C 1 4.232 2 1 -6.88728910440181 24818458 CC1=C(C(=CC=C1)NC(=O)NN2CCN(CC2)C)C 1 1.59 4 1 0 -0.921641676367653 24818457 CC1=C(C(=CC=C1)NC(=O)N2CCCC3=CC=CC=C32)C 1 4.232 2 1 -5.50486374179894 24818456 CN1CCN(CC1)NC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 1.946 4 1 0 0.126723077718592 24818455 CC1=CC=C(S1)C(=O)NN=CC2=C(C=CC3=CC=CC=C32)OC 1 3.674 2 2 -0.15230302497215 24818454 CC1=CC(=C(C=C1)C)NC(=O)/C(=C/C2=CC=CN2)/C#N 1 3.279 3 1 -11.1579505610688 24818453 C1=CC=C(C(=C1)NC(=O)/C(=C/C2=CC=CN2)/C#N)F 1 2.512 3 1 -10.7315542509121 24818452 C1=CC=C(C(=C1)NC(=O)/C(=C/C2=CC=CN2)/C#N)Cl 1 2.971 3 1 -9.47603883247231 24818451 CCC(=NNC(=O)C1CCCC1)C2=CC(=CC=C2)Br 1 4.085 2 1 -2.98225100613978 24818450 CC1=CC=CC=C1NC(=O)/C(=C/C2=CC=CN2)/C#N 1 2.792 3 1 -12.0413958798907 24818449 CCOC1=CC=C(C=C1)CC(=O)NN=CC2=C(C=CS2)C 1 3.49 2 2 -5.37056283132642 24818448 CC1=C(C(=CC=C1)NC(=O)/C(=C/C2=CC=CN2)/C#N)C 1 3.279 3 1 -8.47044383199241 24818447 CC(=NNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3=CC(=CC(=C3)O)O 1 3.698 2 3 -0.213347926728002 24818446 CC(C)C1=CC=C(C=C1)C(=NNC(=O)C2CCCC2)C 1 3.864 2 1 -4.09354891434038 24818445 CCCCC1=CC=C(C=C1)C(=NNC(=O)C2CCCC2)C 1 4.524 2 1 -5.20014917769657 24818444 C1CC2=CC=CC=C2N(C1)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.154 3 3 -8.79278825073158 24818443 CCC1=CC=CC=C1NC(=O)N2CCCC3=CC=CC=C32 1 4.202 2 1 -8.70244345771647 24818442 CN1CCN(CC1)NC(=O)NC2=CC=C(C=C2)F 1 0.823 4 1 0 -8.87850978794074e-002 24818441 CC1=C(C=CC=C1Cl)NC(=O)NN2CCN(CC2)C 1 1.768 4 1 0 -0.671961933140128 24818440 CCOC1=CC=CC=C1NC(=O)N2CCCC3=CC=CC=C32 1 3.592 2 2 -10.9071072806279 24818439 COC1=CC(=C(C=C1)OC)NC(=O)N2CCCC3=CC=CC=C32 1 3.226 2 3 -9.07503921269433 24818438 COC1=CC(=C(C=C1)NC(=O)N2CCCC3=CC=CC=C32)OC 1 3.226 2 3 -10.9824070913613 24818437 C1CN(CC2=CC=CC=C21)C(=O)NC3=CC=CC=C3F 1 3.015 2 1 -9.95881412924552 24818436 CN1CCN(CC1)NC(=O)NC2=C(C=C(C=C2)Br)Cl 1 2.03 4 1 0.249321416641195 24818435 CC(=NNC(=O)C1=CC(=C(C=C1)O)OC)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.224 3 4 0 -11.2215038085255 24818434 CC(=NNC(=O)C1=CC(=CC=C1)F)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.688 3 2 -11.6218954747036 24818433 CC1=CC=CC(=C1O)C(=O)NN=C(C)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.727 3 3 -9.53989318305833 24818432 CC(=NNC(=O)C1=CC=C(C=C1)F)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.688 3 2 -11.4547665167453 24818431 CC(=NNC(=O)C1=CC(=CC(=C1)O)O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 2.999 3 4 0 -10.0299994866906 24818430 CC(=NNC(=O)C1=CC=CC=C1N)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 2.736 4 2 -12.5289958902228 24818429 CC(=NNC(=O)C1=CC=CC=C1OC)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.466 3 3 -14.4766191722308 24818428 CC(=NNC(=O)C1=CC=CC=C1O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.241 3 3 -8.90452223310351 24818427 CC(=NNC(=O)C1=C(C(=CC=C1)OC)OC)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.45 3 4 0 -15.1565322947597 24818426 CC(=NNC(=O)C1=C(C=C(C=C1)OC)OC)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.45 3 4 0 -12.5808224355915 24818425 CC(=NNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3=C(C=C(C=C3)OC)F 1 4.371 2 2 -1.69684432078149 24818424 CC1=C(C=C(C=C1)S(=O)(=O)NN=CC2=CN(C3=CC=CC=C32)CC(=O)N)C 1 2.712 4 3 0 -3.69514731179912 24818423 C1=CC=C2C(=C1)C(=CN2CC(=O)N)C=NNS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.404 4 3 0 -2.01305305997853 24818422 C1=CC=C(C=C1)CC(=NNC(=O)C2=CC=C(C=C2)C(=O)N)C3=CC=CC=C3 1 3.365 3 2 -10.3714214985368 24818421 CC1=CC(=C(C=C1)S(=O)(=O)NN=C(C)C2=CC3=C(C=C2)OCO3)C 1 3.107 2 4 -4.75893323553633 24818420 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CN(C3=CC=CC=C32)CC(=O)N 1 2.225 4 3 0 -3.83505175056535 24818419 CCC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CN(C3=CC=CC=C32)CC(=O)N 1 2.682 4 3 0 -4.07448988634444 24818418 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.576 3 5 0 -19.5807957967318 24818417 CC1=CC(=C(C=C1)C)C(=O)NC(C)C2=CC=C(C=C2)N3C=CN=C3 1 3.641 3 1 -6.66399403001357 24818416 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC 1 4.089 2 5 0 -11.7399114530091 24818415 CC(=O)NC(CC(=O)N1CCCC1)C2=CC=CC=C2 1 0.96 2 2 0 -11.9099454471826 24818414 CC(C)NC(=O)NC(=O)CSC1=NN/C(=C\2/C=NC3=CC=CC=C32)/O1 1 2.123 5 3 0 -18.1062039833773 24818413 C1CC2=CC=CC=C2C3(C1)C(=O)N(C(=O)N3)CC(=O)N 1 0.568 3 3 0 -4.17939421960272 24818412 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C23CC4CC(C2)CC(C4)(C3)Cl 1 3.995 1 3 -5.49577090952143 24818411 CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O 1 5.05 3 6 0 -0.525616993980215 24818410 CC1=NN(C(=C1C(=O)OCC2=C(C(=CC=C2)OC)OC)Cl)C3=CC=CC=C3 1 4.204 2 4 -4.48704371963707 24818409 CC(=O)NCCC(=O)N(CC1=CC=CC=C1)C2=NC3=C(S2)C=C(C=C3)OC 1 2.656 3 3 -10.0146550886159 24818408 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=C(O2)COC3=CC=CC=C3 1 4.156 1 5 -9.23609027489763 24818407 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3 1 5.112 2 3 -5.27983917491736 24818406 CC1=CC(=C(C=C1)C)OCCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.703 2 4 -14.9505907113237 24818405 CN(C)C(CNC(=O)CSC1=CC2=CC=CC=C2C=C1)C3=CC=CC=C3OC 1 4.074 2 2 -8.6193284689673 24818404 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl 1 0.888 3 7 0 -22.0768485515773 24818403 CC1CC(CN(C1)C(=O)C2=CC3=C(C=C2)N=CN3)C 1 2.315 3 1 -9.77455585700213 24818402 CN(CC1=CC(=CC=C1)F)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 5.03 2 1 -4.94462101410264 24818401 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 3.104 3 3 -10.4741105220391 24818400 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 0.783 4 5 0 -21.6830664288586 24818399 C1CCCN(CC1)C(=O)CNC(=O)C2=CC=C(C=C2)OC(F)F 1 2.482 2 3 -9.61210483987349 24818398 C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NCC4=CN=CC=C4 1 2.35 2 1 -8.06402853371511 24818397 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC 1 3.77 3 3 -7.93551402873038 24818396 CCCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=NC=C3 1 2.381 5 3 0 -22.8116947617141 24818395 CC1CCCCC1NC(=O)C2=C(C3=CC=CC=C3O2)C 1 4.296 1 2 -1.94944774392451 24818394 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC=CC=C3OC(F)F 1 3.474 3 2 -6.5601520696029 24818393 CC1=NN(C(=C1C(=O)N(C)CCC2=CC(=C(C=C2)OC)OC)Cl)CC(C)C 1 3.699 3 3 -10.7161561570722 24818392 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl)S(=O)(=O)N3CCCCC3 1 3.032 2 7 0 -26.5130596496913 24818391 C1COCCN1CCCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.309 4 6 0 -14.5939212905176 24818390 CCC(C(=O)NC1=CC=CC=C1N2CCCCC2)OC3=CC=CC=C3 1 4.537 2 2 -8.57593930457179 24818389 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)C3CCN(CC3)C)C 1 2.65 3 4 0 -3.01669257308286 24818388 CCC1CSC(=NC2=CC=C(C=C2)C)N1C(=O)CN3C(=O)C4(CCCC4)NC3=O 1 3.811 4 3 0 -7.62775063046696 24818387 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC=C(C=C2)OCC3CCCO3 1 2.428 2 4 -12.0187936034384 24818386 COC1=C(C=CC(=C1)C(=O)NCC2CCCO2)OCC3=CC=CC=C3Cl 1 3.611 1 4 -16.1912618928821 24818385 CCOC1=CC=CC=C1OCC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.64 3 8 0 -18.4941744662176 24818384 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.576 2 5 0 -17.9495855462294 24818383 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=CO3)N4CCCCC4 1 3.968 3 4 0 -16.9542504616808 24818382 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4O)F 1 3.81 3 4 0 -2.76986387279957 24818381 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4(CCCC4)NC3=O 1 1.561 4 5 0 -21.8049622599816 24818380 C1CC1C2=NN=C(N2N)SCC(=O)NC3=NC=CS3 1 0.437 6 1 0 -16.200409714189 24818379 CC1=CC(=NC(=N1)NNS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C 1 0.888 5 5 0 -10.0743168337022 24818378 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)F)N4CCOCC4 1 3.153 3 5 0 -17.4207646786587 24818377 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N4CCCC4)F 1 3.717 3 4 0 -15.884578414115 24818376 C1=CC=C(C(=C1)C(=O)OCC(=O)NNC(=O)C2=CC=CS2)[N+](=O)[O-] 1 1.426 3 6 0 -18.3177435641441 24818375 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Br 1 1.115 4 5 0 -20.3366015132966 24818374 CSCCC(C(=O)NCC1=CC=CS1)NC(=O)COC2=CC=CC=C2 1 2.068 2 3 -21.9653864661149 24818373 CC12CCC(=O)N1C(CS2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)OC 1 0.937 3 5 0 -20.9599520762142 24818372 CC1=C(C(=CC=C1)C)OCC(=O)NNC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 2.735 3 4 0 -17.0737521365224 24818371 CN(CC1=C(C(=CC=C1)Cl)Cl)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 4.814 3 3 -15.2567286996622 24818370 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.599 4 4 0 -23.3834727819664 24818369 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.546 2 7 0 -26.9760093332825 24818368 C=CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2CCCCCC2 1 4.127 1 4 -14.4594340966168 24818367 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3CC4=CC=CC=C4)C 1 4.775 2 3 -13.9983116353318 24818366 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)CCC3=CC=CC=C3OC 1 4.126 2 4 -17.8563700050608 24818365 COC1=CC=CC=C1C(=O)NCC(=O)OCCCOC(=O)CNC(=O)C2=CC=CC=C2OC 1 1.338 2 8 0 -12.8809541270052 24818364 C1CC(=O)N(C1)CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 1.5 4 4 0 -33.9090549554282 24818363 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)OC)OC 1 3.031 2 5 0 -17.7584192803406 24818362 CN1C=CSC1=NC(=O)C2=CC=CC=C2SC 1 2.252 2 1 -14.3961401709279 24818361 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CN4 1 2.372 4 2 -1.79680467418524 24818360 COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C5=CC(=CC=C5)OC 1 4.928 4 2 5.6798825039635 24818359 CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3OC 1 4.908 1 2 -4.97319902841746 24818358 CN1C=CSC1=NC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-] 1 1.131 3 5 0 -17.3019768500107 24818357 CCC(C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl)N(C)C 1 4.168 5 3 0 -23.2944276689844 24818356 CCCCNC(=O)C1=CC=CC=C1SCC2=C(ON=C2C)C 1 3.374 2 2 -22.4063288762225 24818355 CN(C)C1=CC=CC(=C1)C(=O)NCCCSC2=CC=CC=C2 1 3.453 2 1 -12.5264068422297 24818354 CC1CCCN(C1)C(=O)CCNC(=O)C2=CC=CC=C2OC 1 1.772 2 3 0 -16.1690328906739 24818353 CC1=CC(=C(O1)C)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC 1 2.92 2 4 -5.37279994216978 24818352 COC1=CC=CC=C1N2C(=NN=N2)SCC(=O)N3CCCC3=O 1 1.089 5 3 0 -25.9862832114011 24818351 C1CCN(C1)C2=CC=CC=C2NC(=O)COC3=C(C=CC=C3Cl)Cl 1 4.401 2 2 -4.76888684903559 24818350 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC 1 1.37 3 8 0 -26.9508717327912 24818349 COC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3)OC 1 2.516 2 6 0 -19.3438667555346 24818348 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3OC 1 1.895 3 4 0 -15.6715878554544 24818347 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC=C(O2)[N+](=O)[O-])N 1 1.992 5 6 0 -10.9663083282409 24818346 CC1CCCCC1NC(=O)C(C)OC(=O)CCC(=O)C2=CC=C(C=C2)F 1 3.567 1 4 -14.86123596097 24818345 C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CC3=CC=CC=C3)C(=O)COC4=CC=C(C=C4)F)N 1 2.877 4 4 0 -7.0109687198743 24818344 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3 1 4.637 3 2 -3.81029067594012 24818343 CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 1.963 3 4 0 -18.700545167816 24818342 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)CNS(=O)(=O)C3=CC(=CC=C3)Br 1 3.163 3 5 0 -16.3055733739428 24818341 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N 1 2.799 4 5 0 -11.3872755073597 24818340 CC1CCC(CC1)NC(=O)C2=CC=CC=C2OCC3=C(ON=C3C)C 1 3.597 2 3 -17.4130725197397 24818339 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C)OCC 1 3.158 3 6 0 -22.7892066589351 24818338 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.832 4 4 0 -19.5127779392769 24818337 C1CN(CCN1C(=O)C2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.802 2 3 -19.7512684165201 24818336 COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3O 1 3.418 2 4 0.575673846394089 24818335 CCC(CC)C1=NN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C 1 2.797 4 2 -12.7572097186444 24818334 CC(=O)NCCC(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCCO3 1 0.988 3 4 0 -9.21554337075046 24818333 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C 1 2.201 3 3 -13.50333315965 24818332 COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)OCC3=CC=CC=C3)CSCC(=O)O 1 5.282 0 5 -9.95380554110142 24818331 C1=CC(=CC=C1C(=O)NC2=CC=NC=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 0.814 5 4 0 -17.0156847587275 24818330 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3)C 1 3.881 3 4 0 -17.7271912881249 24818329 CC1CC(CN(C1)C(=O)CCNC(=O)C2=CC=CC=C2Cl)C 1 2.772 2 2 -15.7999927980102 24818328 CC(C)(CNC(=O)C1=CC=C(O1)Br)N2CCOCC2 1 1.41 2 3 0 -11.0181031249459 24818327 CC1CCCC(C1C)NC(=O)CCC(=O)C2=CC=C(C=C2)C 1 3.909 1 2 -9.67481649871699 24818326 COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)Cl)N3CCCC3 1 3.339 3 3 -5.38837387311995 24818325 CC1CCCCN1C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 3.163 2 5 0 -16.5146167301729 24818324 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F 1 2.29 3 5 0 -26.3064226087537 24818323 CC1=CC=C(C=C1)OCCC(=O)OCC2=CSC(=N2)CC(=O)NC3=CC=CC=C3C 1 4.221 2 4 -13.6037183144682 24818322 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=C(C=C(C=C3C)C)C 1 5.11 2 3 -12.4975619167837 24818321 CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)N(CC3=NN=C(O3)C4=CC=CC=C4Cl)C5CC5 1 3.287 4 3 0 -7.20245312621736 24818320 COC1=CC=CC=C1OCCNC(=O)C2=CC=CO2 1 2.049 1 4 -10.0063926167565 24818319 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)CNC(=O)C2=CC=C(O2)Br 1 0.845 3 7 0 -18.2802600172893 24818318 COC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C 1 1.339 3 6 0 -19.2263742439285 24818317 C1CCN(C1)C(=S)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.41 4 5 0 -26.2167814086029 24818316 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)N3CCCC(C3)C(F)(F)F 1 3.081 2 3 -12.3353302900023 24818315 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4 1 2.766 4 6 0 -19.9655121151932 24818314 COC1=C(C=C(C=C1)CC(=O)NC2=CC(=C(C=C2OC)OC)Cl)S(=O)(=O)N3CCOCC3 1 2.069 2 7 0 -23.0879999832092 24818313 C1=CC=C2C(=C1)C(=NN2)C(=O)OCC(=O)C3=CC(=CC=C3)Br 1 3.761 2 3 -15.1923201459239 24818312 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N4CCCC4=O 1 4.023 2 5 0 -21.5637858903659 24818311 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 2.126 3 5 0 -20.5890681142197 24818310 CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 3.55 2 5 0 -15.0160382669276 24818309 CC(=O)NC(CC(=O)NCCOC1=CC=CC=C1OC)C2=CC=CC=C2 1 1.909 2 4 0 -18.6599369728818 24818308 C1=CC=C2C(=C1)/C(=C/3\NN=C(O3)SCC#N)/C=N2 1 2.287 4 1 -10.5101929155315 24818307 COC1=CC(=CC(=C1OC)OC)CCC(=O)NCC2CCCO2 1 1.838 1 5 0 -20.8190626961706 24818306 CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC 1 4.878 2 6 0 -6.74655059861446 24818305 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)CCC2CCCC2 1 3.336 2 2 -14.4257408678506 24818304 CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)C 1 4.753 3 4 0 -7.31812486147027 24818303 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CS2)C3=CC=CC=C3 1 3.5 2 2 -7.08632263548783 24818302 CCOC(=O)C1CCN(CC1)C(=O)CCNC(=O)C2=CC=CC=C2OC 1 1.211 2 5 0 -18.4895116449013 24818301 CC1(CC2=C(O1)C(=CC=C2)OCC3=CC=C(C=C3)C(=O)OC)C 1 3.893 0 4 -6.91707116984365 24818300 CN(C)C(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC=C)C3=CC=CC=C3 1 2.438 3 3 -16.6247456607541 24818299 CC1CN(CC(O1)C)C(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 2.128 1 5 -15.5326466058852 24818298 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCCOC3=CC=CC=C3OC 1 3.864 2 4 -14.3911953926454 24818297 C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)C3=CC4=C(C=C3)N=CN4 1 3.384 5 1 -1.29984849481434 24818296 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NC2=CC=NC=C2 1 4.513 2 2 -6.55377963848157 24818295 C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O 1 3.841 2 5 0 -5.94845271061361 24818294 CC1=C(N=CC=C1)NC(=O)CCCC2=CNC3=CC=CC=C32 1 3.73 3 1 -8.24093342089056 24818293 COCCN(CC1=CC=CC=C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC 1 4.797 2 4 -11.9278161287326 24818292 CC1=CC=CC(=C1)C(=O)NCC(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 2.278 3 2 -8.47786345953562 24818291 CC1CSC(=N1)N(C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)S(=O)(=O)C 1 4.453 2 3 -9.47266370045666 24818290 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3F 1 3.809 2 5 0 -11.6826527048983 24818289 CSCCC(C(=O)NC1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 3.268 3 2 -16.3660670184758 24818288 CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3C[C@@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4 1 1.942 3 5 0 -20.1507879401602 24818287 COC1=C(C=C(C=C1)CC(=O)NCCCSC2=CC=CC=C2)OC 1 3.292 1 3 -14.9297299256021 24818286 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.477 2 5 0 -12.572481617552 24818285 CC(=O)NC1=CC=CC(=C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3 1 3.852 2 2 -10.829781981446 24818284 CN(CC1=C(C=C(C=C1)OC)OC)C(=O)C2=CC=NC=C2 1 1.644 2 3 0 -4.75908926702663 24818283 COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=C(C=NC=C2)Cl 1 2.57 2 4 -10.7452384542472 24818282 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC(=CC=C3)OC 1 2.139 2 4 -16.77516802291 24818281 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3 1 3.211 3 3 -13.7590175608583 24818280 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 4.226 3 3 -9.69943716012671 24818279 COC1=CC=C(C=C1)CC(=O)NC2=C(C=NC=C2)Cl 1 2.146 2 2 -4.7808627813186 24818278 CC(=O)C1=CC(=C(C=C1)OC)COC2=CC=CC3=C2OC(C3)(C)C 1 3.761 0 4 -8.61682963670814 24818277 CCOC(=O)N1CCN(CC1)C(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 1.894 2 6 0 -11.6389361597578 24818276 CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCCCC2=CC=CC=C2)[N+](=O)[O-] 1 1.864 4 5 0 -20.5079109730266 24818275 CCN(C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C)C(C)C 1 2.926 4 3 0 -22.0827700157816 24818274 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F 1 5.095 1 1 -3.19820923776162 24818273 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C 1 2.979 3 3 -6.57451697619377 24818272 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.829 3 4 0 -17.5548781179721 24818271 CCCN(CC(=O)NC1=C(C=C(C=C1)Cl)Cl)C(=O)CC(C2=CC=CC=C2)NC(=O)C 1 3.337 3 3 -14.1836458337549 24818270 C1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.717 2 2 -14.4394878441641 24818269 CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)CCSC)N 1 1.63 4 4 0 -14.0987624113228 24818268 CC1=CC=C(S1)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.967 3 1 -2.13975088522232 24818267 C1=CC=C(C=C1)SCCCNC(=O)C2=CN=CC=C2 1 2.14 2 1 -10.797527520116 24818266 C1COCCN1CCCNC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 0.671 4 5 0 -11.8885459137353 24818265 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 4.792 2 3 -7.65388091549985 24818264 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N(C)CC4=C(C(=CC=C4)Cl)Cl 1 3.563 2 2 -3.68523944993392 24818263 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CNC(=O)C=C2)OCC 1 0.351 3 5 0 -19.2569945380187 24818262 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=C(C=C5)C(=O)OC)/O 1 2.471 3 6 0 -7.3061556513071 24818261 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCCCC4 1 2.882 9 2 0 -26.0251427598998 24818260 CC(=O)OC1=C(C=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=NC=C2)OC 1 0.343 4 5 0 -17.2667069640623 24818259 CCOC1=C/C(=C/C2=C(N3C(=NC2=O)SC(=N3)CC(=O)N4CCCC4)N)/C=CC1=O 1 1.261 5 4 0 -16.3127613472151 24818258 COC1=C/C(=C/C2=C(N3C(=NC2=O)SC(=N3)CC(=O)N4CCCC4)N)/C=CC1=O 1 0.912 5 4 0 -14.3700824869251 24818257 C1CCN(C1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)O 1 1.377 9 3 0 -21.9174520825846 24818256 CC(=NNC(=O)C1=C(C=C(C=C1)OC)OC)CC(=O)NC2=CC3=CC=CC=C3C=C2 1 2.83 3 4 0 -6.07203527963082 24818255 CC(=NNC(=O)C1CCCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br 1 3.168 4 4 0 -12.8955252005509 24818254 CC(=NNC(=O)C1=C(C=C(C=C1)OC)OC)CC(=O)NC2CCCCC2 1 2.204 3 4 0 -11.4162030649213 24818253 CC1=C(C=C(C=C1)Cl)NC(=O)C(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.868 3 4 0 -7.84783655953308 24818252 CC1=CC(=C(C=C1)OCC(=O)NN=C/C=C/C2=CC=CO2)Br 1 3.508 2 3 -1.48952383116814 24818251 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CC4=CC=C(C=C4)OC 1 3.135 4 4 0 -17.1243011206837 24818250 C1CC(OC1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NCC(=O)NC4=CC(=C(C=C4)F)F 1 1.658 4 5 0 -25.1473109848542 24818249 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32 1 1.867 3 4 0 -15.1367972464929 24818248 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4)C 1 2.565 3 4 0 -24.2612757862391 24818247 CC1=CC(=NN1CC(=O)NNC(=O)CCCOC2=CC(=C(C=C2)Cl)C)C 1 2.356 4 3 0 -16.4137922666103 24818246 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)CON=C(C)C2=CC3=C(C=C2)OCO3 1 1.274 3 7 0 -15.73013338026 24818245 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCCC2=CC=CS2)N 1 2.669 4 3 0 -15.7954091183344 24818244 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.667 4 5 0 -28.1007448572932 24818243 CC(C(=O)N1CCOCC1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 1.594 2 7 0 -14.9217884138619 24818242 C1CCN(C1)C2=CC=CC=C2NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.44 4 4 0 -14.7606873274356 24818241 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NCCCSC2=CC=CC=C2)OCC 1 3.015 2 4 -21.3121555691457 24818240 CCCCCC1=NN=C(S1)NC(=O)CN2C(=O)C3CCCCC3C2=O 1 2.286 4 3 0 -16.4201279405165 24818239 CCN(CC1=CC=CC=C1)C(=O)CN2C(=O)C3(CC(CC(C3)(C)C)C)NC2=O 1 2.881 3 3 -17.630202846768 24818238 CC1=CC=C(C=C1)SCC(=O)OCC(=O)NC(C)C2=CC=C(C=C2)Br 1 4.334 1 3 -11.4360960584318 24818237 C1=CC(=C(N=C1)Cl)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=C(N=CC=C2)Cl 1 0.755 4 6 0 -11.7126320716959 24818236 CCCN(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C(=O)CN2C(=O)C3CCCCC3C2=O 1 2.982 3 4 0 -15.0354852868474 24818235 CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CSC4(N3C(=O)CC4)C 1 2.03 3 2 -4.84644941670457 24818234 CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 2.798 3 5 0 -21.8434981554883 24818233 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(C3=CC=CC=C3)N(C)C)F 1 3.968 3 3 -9.28209684298222 24818232 C1CCN(CC1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl)C4=CC=CO4 1 4.146 3 4 0 -17.5804543628508 24818231 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)OC 1 2.41 3 4 0 -9.73551495022144 24818230 COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.89 2 6 0 -29.894047211597 24818229 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)N4CCCCC4)(C)C 1 3.399 4 3 0 -11.1813626779775 24818228 C1CC2=CC=CC=C2O[C@@]3(C1)[C@H]([C@@H](C[C@H](O3)CCO)O)O 1 1 0 5 0 2.79489290369484 24818227 C1[C@H](O[C@]2(CC3=CC=CC=C3CO2)[C@@H]([C@H]1O)O)CCO 1 -9.2e-002 0 5 0 1.47945665410548 24818226 C1[C@H](O[C@@]2(CC3=CC=CC=C3CO2)[C@@H]([C@H]1O)O)CCO 1 -9.2e-002 0 5 0 1.47945665410548 24818225 CN(CC(=O)NCC1=CC=C(C=C1)F)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 3.411 3 2 -10.6120487426469 24818224 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CC2=CC=C(C=C2)Br 1 2.117 2 5 0 -19.228661505538 24818223 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CC4=C(C=CC=C4Cl)F 1 4.021 4 3 0 -18.9741514568737 24818222 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC3=CC=CC(=C3)C(=O)C 1 2.535 3 4 0 -23.5214812965184 24818221 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCOCC4 1 3.28 3 6 0 -18.0108926595546 24818220 C1[C@H](O[C@@]2([C@@H]([C@H]1O)O)C3=CC=CC=C3CO2)CCO 1 -0.154 0 5 0 1.33536012593135 24818219 C[C@H]([C@H]([C@@H]1[C@@H](O1)CC(OC)OC)O)OCC2=CC=CC=C2 1 1.439 0 5 0 -7.88572693788866 24818218 COC1=CC=C(C=C1)C(CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC)N3CCCCC3 1 3.544 3 4 0 -28.1669365925463 24818217 CC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54 1 3.502 3 2 -4.64879657599276 24818216 C1=CC=NC(=C1)NC(=O)CSCC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2 1 2.593 4 2 -13.4075996812581 24818215 CC1CCCCC1NC(=O)C(C)SC2=NNC(=N2)N 1 2.169 5 1 -10.6554054943045 24818214 C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)Cl)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 2.782 4 5 0 -22.6583996301607 24818213 C1CN(CCC1NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3 1 2.491 3 3 -9.33610841958912 24818212 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.87 3 5 0 -27.0457052059426 24818211 CC1=CC(=NC=C1)NC(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC 1 1.409 3 5 0 -15.9716769545981 24818210 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)COC3=CC=C(C=C3)C 1 2.336 2 5 0 -16.7308533261411 24818209 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSCC(=O)NC3=CC=C(C=C3)C 1 1.691 3 6 0 -25.6448794233992 24818208 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24818188 COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3Cl)Cl)S(=O)(=O)N4CCOCC4)OC 1 3.002 2 6 0 -23.5902384284881 24818187 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC 1 1.652 3 5 0 -18.5263825767468 24818186 C1CC(=O)N(C1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 0.223 3 5 0 -36.5619183346345 24818185 CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.097 3 5 0 -21.0295584926289 24818184 CC1=CC(=NN1CCCNC(=O)CCNS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C 1 1.78 4 3 0 -24.7200231671151 24818183 CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=C2OCC3=C(ON=C3C)C)OCC 1 4.113 2 5 0 -20.5210226432138 24818182 CSCCC(C(=O)NCC1=CC=CC=N1)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.886 3 2 -17.8585596736193 24818181 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSCC(=O)NC3=CC=CC(=C3)C 1 1.691 3 6 0 -23.8970717742917 24818180 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=CO3)N4CCCC4 1 3.58 3 4 0 -24.539876924742 24818179 CC1CCCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 3.632 2 3 -8.66158610396279 24818178 CCC1=C(SC(=C1)C(=O)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3)C 1 3.132 4 2 -4.77859495900018 24818177 CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CN=C(C=C2)Cl)C)C 1 4.607 1 3 -6.10436021582786 24818176 CC(C)COC1=CC=CC(=C1)C(=O)NC2(CCS(=O)(=O)C2)C 1 1.926 1 4 0 -14.6549664840371 24818175 C1COC2=C(O1)C=CC(=C2)SCC(=O)NC3=NC=C(C=C3)Br 1 2.93 2 3 -10.7737004121251 24818174 CSCCC(C(=O)NCC1COC2=CC=CC=C2O1)NC(=O)COC3=CC=CC=C3 1 2.207 2 5 0 -19.6628046553268 24818173 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)C3=CC(=C(C=C3)F)F 1 1.274 4 5 0 -21.478081723426 24818172 COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(S2)CCCC3)N4CCOCC4 1 3.796 2 3 -17.9926778931328 24818171 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC(=O)NCC2=CC(=CC=C2)OC 1 1.816 5 7 0 -24.8237181842272 24818170 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC(=O)N(C)CC2=CC=C(C=C2)C 1 2.525 5 6 0 -20.9117494194926 24818122 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)C(C)(C)OC2=CC=C(C=C2)Cl 1 3.369 2 5 0 -8.05665129379604 24818123 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CC4=C(C=CC=C4Cl)Cl 1 4.48 4 3 0 -18.225714232731 24818124 COC1=CC=CC=C1CNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.056 3 7 0 -16.7640594081699 24818125 CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)OC)C3=CC=CO3 1 3.213 3 5 0 -11.1885402250621 24818126 COC1=CC=CC(=C1)NC2=C3C(=NOC3=NC=N2)C4=CC=CC=C4OC 1 3.907 4 3 0 -0.422998571769266 24818127 CC1=CC=C(C=C1)CNC(=O)C2(CC=CC2)S(=O)(=O)C3=CC=CC=C3 1 3.512 1 3 -8.42345254767245 24818129 CC(C)(C)OC(=O)N1CCC(CC1)(CC2CC(=NO2)C3=CC=C(C=C3)Cl)C(=O)NCC4CCCCC4 1 5.332 3 4 0 -9.64710230830106 24818130 CC(C)C1=CC(=C(C(=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)O)C(C)C 1 3.373 2 6 0 -6.22590245063243 24818131 CCC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)CC 1 0.944 4 5 0 -21.097390671758 24818132 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=C(C)C3=CC(=CC=C3)Cl 1 3.797 3 1 -4.16213445154613 24818133 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3CCCCC3)CNC4=CC(=CC=C4)OC 1 3.032 5 4 0 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-21.9227394441966 24818012 C1CC(CN(C1)C(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)C(F)(F)F 1 2.426 3 2 -7.04615458805855 24818011 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.61 4 5 0 -21.3600444193638 24818010 C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C3=CC=CC=C3C(F)(F)F 1 1.469 4 3 0 -7.14139909750627 24818009 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.51 4 4 0 -22.8343646875249 24818008 CCCCC1=NN=C(S1)NC(=O)C2=COCCO2 1 0.842 3 3 0 -12.8842442695584 24818007 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CSC(C)C(=O)NC3=NOC(=C3)C 1 1.175 6 5 0 -25.8788380361122 24818006 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CCCC2=NC3=CC=CC=C3S2)N 1 3.343 5 3 0 -10.1244879059678 24818005 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3 1 2.519 4 3 0 -13.3708673539744 24818004 C1CN(CCN1C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)Cl 1 1.929 6 5 0 -23.9608995205342 24818003 CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(C3=C(S2)N=C4CCCN4C3=O)C)OCC 1 3.632 3 4 0 -23.8313364801915 24818002 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-])C 1 3.282 6 3 0 -5.26398699095823 24818001 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 3.61 2 5 0 -13.039509030518 24818000 CC1CN(CC(O1)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 2.838 2 4 -14.2952653291975 24817999 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 1.752 2 8 0 -20.3740207255081 24817998 CCCC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)C2=CC=NC=C2 1 2.074 3 3 -8.5021557450255 24817997 CC1CCCCC1NC(=O)C(C)OC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.618 3 5 0 -21.7338695436603 24817996 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)NNC(=O)C3=CSC(=N3)N4CCOCC4 1 1.94 4 5 0 2.00463200325578 24817995 C1=CC=C(C(=C1)/C=C/C(=O)OCC(=O)NCCNC(=O)COC(=O)/C=C/C2=CC=CC=C2Cl)Cl 1 3.573 2 6 0 -7.83709386546418 24817994 CC(C(=O)NNC(=O)C1=CSC(=N1)N2CCOCC2)SC3=CC=C(C=C3)Cl 1 2.069 4 3 0 -6.03610459194355 24817993 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.496 4 4 0 -19.7663340744727 24817992 CC(C(=O)NC1=CC=C(C=C1)F)SC2=NN=C(N2CC3=CC=CC=C3)CN4CCCC4 1 4.12 5 1 -13.6496604175526 24817991 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3C4=CC=CC=C4C(=O)O3 1 2.842 2 5 0 -21.7456608544976 24817990 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCCC2=CC=CC=C2 1 1.4 2 6 0 -21.8614208281087 24817989 CC1CCCCC1NC(=O)C(C)OC(=O)CC2=CC=C(C=C2)Br 1 4.19 1 3 -12.9309353852745 24817988 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)CC(C2=CC=CC=C2)NC(=O)C 1 2.779 3 4 0 -8.66080623870767 24817987 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl 1 3.325 3 3 -12.1899007243249 24817986 CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC(OC(C3)C)C 1 2.966 2 6 0 -30.0904944457778 24817985 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2COC3=CC=CC=C3O2 1 0.632 3 6 0 -20.1620287519398 24817984 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)N(C)CC(=O)NC4=CC=CC=C4Cl)C 1 3.632 5 2 0 -7.27740959077885 24817983 CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 3.312 2 4 -15.2127773526719 24817982 C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3 1 3.211 2 2 -17.6499458352927 24817981 C1C=CCC2C1C(=O)N(C2=O)CCC(=O)OCC(=O)NCCC3=CC=CC=C3 1 1.354 2 5 0 -17.4480223539957 24817980 CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2N3CCCC3 1 3.177 3 2 -6.023876376702 24817979 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 2.043 2 6 0 -15.3937659992087 24817978 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-] 1 3.54 4 5 0 -19.6947608452061 24817977 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F 1 3.114 3 4 0 -19.4412894044814 24817976 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC(=S)N3CCCC3 1 2.966 4 4 0 -28.3251058713191 24817975 CC1(CC1(Cl)Cl)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2(CC2(Cl)Cl)C 1 0.804 2 6 0 -8.80001557755692 24817974 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)CSC2=CC=CC=C2C)OCC 1 4.194 1 5 -21.3698568271941 24817973 CCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2=CC(=CC=C2)N3C=CC=C3 1 3.089 3 3 -15.0577801365949 24817972 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CCC(=O)C2=CC=C(C=C2)OCC 1 3.188 2 4 -17.7755619281673 24817971 CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.441 2 5 0 -27.5332230550465 24817970 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C)OCC 1 3.632 5 4 0 -13.8695019427094 24817969 C=CCNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 0.736 2 7 0 -28.096018538657 24817968 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 0.908 3 6 0 -21.5466888446697 24817967 CC1=CC(=C(C(=C1)C)OCC(=O)OCC(=O)NC2CCCCCCC2)C 1 4.809 1 4 -13.1860157134903 24817966 CN1C=CC=C1C(=O)N(C)CC(=O)NC2=C(C=CC=C2Cl)Cl 1 2.8 3 2 -8.10424173994999 24817965 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=CC=CC=C2OC(F)F 1 2.496 3 4 0 -19.1145142674445 24817964 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=NN(C(=O)CC2)C3=C(C=CC(=C3)C)C 1 3.086 4 3 0 -18.2868671227778 24817963 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)N(C)CC(=O)NC4=CC=CC=C4Br)C 1 3.716 5 2 0 -8.75831489511163 24817962 CN(CC1=CC(=CC=C1)OC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl 1 4.221 3 4 0 -15.1278746072722 24817961 CCOC1=CC=CC=C1OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.844 2 5 0 -25.8370562922199 24817960 C1C(CN(C1=O)CC2=CC=CC=C2Cl)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.106 2 5 0 -12.1895395161966 24817959 CCC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)C)C 1 3.418 4 5 0 -22.5773707324086 24817958 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3CCCCC3C 1 3.692 2 5 0 -29.6380962041886 24817957 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC(=O)NCC2=CC=C(C=C2)OC 1 1.816 5 7 0 -24.8149570426217 24817956 CCC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4 1 4.024 4 4 0 -8.87873663557168 24817955 CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 3.441 2 5 0 -28.7543603726593 24817954 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCCC(C3)C(F)(F)F 1 3.178 2 2 -7.69327292898908 24817953 COC1=CC=CC(=C1)CC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.804 2 4 -5.10400912266959 24817952 C/C=C/C1=CC(=C(C=C1)OCC(=O)OCC2=CSC(=N2)CC(=O)NC3=CC=CC=C3C)OC 1 4.424 2 5 0 -18.315339640403 24817951 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=NC=C(C=C3)Cl 1 2.119 4 6 0 -8.78651245209976 24817950 CC1=C(C=C(C=C1)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)C 1 3.545 3 4 0 -13.3748451491452 24817949 CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.771 4 7 0 -13.954087984442 24817948 C1CC(OC1)CN2C(=NN=C2SCC(=O)NCC3=CC=CO3)C4=CC=C(C=C4)F 1 2.797 4 3 0 -24.7260857949149 24817947 C1CN(CCN1C2=CC=CC=C2O)C(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5 1 1.688 3 5 0 -7.56317942627366 24817946 CC1=C(C=CC(=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3)[N+](=O)[O-] 1 2.704 3 4 0 -16.3198003616409 24817945 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=NN=C(S2)C3CC3)C4=CC=CC=C4 1 1.728 5 3 0 -12.1473064780388 24817944 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)N3CCC(=CC3)C4=CC=CC=C4 1 3.094 2 2 -14.7680425386082 24817943 C1CN(CCN1C(=O)C2=CC(=CC=C2)N3C=CC=C3)S(=O)(=O)C4=C(C=CC=C4F)F 1 3.115 3 3 -13.7706899897285 24817942 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F 1 4.383 3 4 0 -1.92483828619429 24817941 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C)N 1 1.932 4 6 0 1.73933421196542 24817940 CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 3.076 2 4 -16.4418578848926 24817939 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)OCC 1 3.059 3 8 0 -19.4575100293004 24817938 CC(C)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C 1 3.53 2 4 -19.4771623903803 24817937 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)OC 1 1.207 3 6 0 -17.7921426208257 24817936 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3C4=CC=CC=C4N=C3C(F)(F)F 1 2.044 6 4 0 -8.4650201089754 24817935 C1=CC=C(C=C1)SCCCNC(=O)CCNS(=O)(=O)C2=CC=CC=C2C(F)(F)F 1 3.244 2 3 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CN(C1CCCN(C1)CC2=CC=CC=C2F)C(=O)CN3C(=O)C=CC(=N3)Cl 1 2.138 4 2 -9.59035141472488 24817049 CCNC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3 1 1.187 5 3 0 -37.1406474815263 24817048 CC(C)CC1=CC=C(C=C1)CN2CCCC(C2)NC(=O)CCCN3CCCC3=O 1 3.326 3 2 -13.3540623530841 24817047 CC1=C2C(=CC=C1)NC(=N2)CCNC(=O)C3CCC(=O)N(C3)CCC4=CC(=CC=C4)F 1 3.326 4 2 -17.6631960467715 24817046 CC1=CC(=C(O1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4OC)C 1 3.512 3 3 2.46877849971457 24817045 CN(CCC1CCCCO1)C(=O)C2=NOC(=C2)COC3=CC=CC(=C3)OC 1 2.632 2 5 0 -17.5623746241156 24817044 COC1=CC(=CC=C1)OCC2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=CC=C4O 1 3.142 3 5 0 -6.05228959476282 24817043 C1CC(=O)N(C1)CCCN2CC(CCC2=O)C(=O)NCC3=CC=CC=C3Cl 1 1.153 3 3 0 -30.6128894000497 24817042 CC(=O)C1(CCN(CC1)C(=O)C2CCC(=O)N(C2)CCC3=CC(=CC=C3)F)C4=CC=CC=C4 1 3.156 2 3 -19.6603035515713 24817041 CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N3CCCCC3CCNC(=O)C 1 2.81 3 3 -11.7247410141751 24817040 CC1=CC(=CC(=C1Cl)C)OCC2=CC(=NO2)C(=O)N(C)CC3=NON=C3C 1 3.294 4 4 0 -16.0600314915678 24817039 CCC1C(=O)NCCN1C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC=C(C=C4)OC 1 2.599 3 4 0 -23.6939935003701 24817038 CC1=C(C=CC(=C1)CN2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCCC4)OC 1 4.308 2 3 -2.75215963773577 24817037 CN(C)S(=O)(=O)N1CCC(CC1)OC2=CC=CC(=C2)C(=O)N3CCCC(C3)OC 1 0.338 3 5 0 -21.8586208002956 24817036 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 3.729 3 4 0 -28.3363934924475 24817035 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-] 1 4.669 4 4 0 -16.3115587686034 24817034 CN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.268 2 6 0 -23.1789105421888 24817033 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 -1.104 3 8 0 -27.1004964067406 24817032 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=N3 1 2.666 3 3 -14.1775880379709 24817031 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSCC(=O)NC3=CC=CC(=C3)C 1 2.065 5 4 0 -12.6986325441876 24817030 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3.201 4 2 -11.6867682027199 24817019 C1COCC1NC(=O)C2=NOC(=C2)COC3=CC=CC(=C3)C(F)(F)F 1 2.286 2 4 -12.925944348399 24817018 CN(CCN1C=CN=C1)C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=C(C=C4)OC)OC 1 2.438 4 4 0 -8.90671022751394 24817017 CC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)N3CCCCCCC3)OC 1 4.071 2 4 -13.6033059458745 24817016 CC1=NC=C(C=C1)OCC2=CC(=NO2)C(=O)N(C)CCC3=CC=CC=N3 1 1.799 4 3 0 -16.1366420179147 24817015 C1CC(=O)N(CC1C(=O)N2CCC(CC2)O)CCC3=CC=C(C=C3)Cl 1 1.396 2 3 0 -15.2939929266771 24817014 CC1=CC(=CC(=C1Cl)C)OCC2=CC(=NO2)C(=O)NC3CCC3 1 4.148 2 3 -10.3701352770686 24817013 COC1=CC=CC=C1CN2CC(CCC2=O)C(=O)NCCN3CCOC3=O 1 0.616 3 5 0 -31.1378727060947 24817012 C1CC1C(=O)NC2=CC=NN2C3CCN(CC3)CC4=C(C=CC(=C4)Cl)O 1 2.599 4 2 -21.0667166552135 24817011 CC1(CC1)CCC(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.708 3 1 8.96225950842663e-002 24817010 C1CC(CN(C1)CC2=CC=CC=N2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)F 1 4.083 3 1 10.9881488607375 24817009 C1CCC(C1)C(=O)NC2=CC=NN2C3CCN(CC3)CC4=CC=C(C=C4)OC(F)F 1 3.894 4 2 -21.2611543297263 24817008 CC1(CC(C2=C(C1)N(N=C2)C3=CC=C(C=C3)F)NC(=O)CCCN4CCCCC4=O)C 1 3.279 4 2 -25.8363024264113 24817007 CCN1C=CN=C1CN2CCC(CC2)N3C(=CC=N3)NC(=O)CCC4=CC=CC=C4 1 2.209 6 1 0 -32.0714780891191 24817006 COCC1CCN(CC1)C(=O)C2CCC(=O)N(C2)CCC3=CC=C(C=C3)Cl 1 2.383 2 3 -15.2492330942007 24817005 CN1C=C(C=N1)CN2CCCC(C2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4 1 4.048 5 1 14.9398797377924 24817004 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)CN3C(=O)C4(CCCC4)NC3=O 1 3.429 3 3 -6.0709668271996 24817003 C1CC(C2=CC=CC=C2C1)NC(=O)CNC(=O)C3=CC=C(C=C3)OC(F)F 1 3.502 2 3 -10.3859646208993 24817002 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC(C3)C(F)(F)F 1 3.325 2 3 -10.8857588610522 24817001 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC3=C(C(=CC=C3)OC)OC 1 3.608 1 5 -9.29323073301223 24817000 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3C)C 1 3.436 3 4 0 -19.8788780519257 24816999 CCOC1=CC=CC=C1C(=O)NCC(=O)NCCCSC2=CC=CC=C2 1 2.683 2 3 -17.919491503236 24816998 CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=CC=C2Cl 1 0.527 2 5 0 -23.7162255984207 24816997 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)N5)C 1 3.196 5 4 0 -10.1889721255421 24816996 C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)NC(=O)C3=CC=C(C=C3)OC(F)F 1 3.047 1 6 0 -6.13949617829269 24816995 CCC1=NOC(=C1C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4F)C 1 3.256 4 2 -7.17377315184493 24816994 CCN(CCN1C=CC=N1)C(=O)C2CCC(=O)N(C2)CCC3=CC(=CC=C3)F 1 2.152 4 2 -23.2724652412102 24816993 COC1=CC=C(C=C1)CCN2CC(CCC2=O)C(=O)NCC3(CCCCC3)O 1 2.252 2 4 -19.9419471130058 24816992 CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)C3=CN=CS3 1 3.152 2 2 -4.43038706718622 24816991 COC1=CC=C(C=C1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4 1 3.072 4 2 -23.6650643632755 24816990 CCOC1=CC=CC(=C1O)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4 1 2.267 4 3 0 -27.6983000707385 24816989 CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)C3=CN(N=C3)C(C)C 1 3.782 3 2 0.20962775322867 24816988 CC1(CC(C2=C(C1)N(N=C2)C3=CC=C(C=C3)OC)NC(=O)CSC4=CC=CC=N4)C 1 3.957 4 2 -17.9469270551924 24816987 CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CSC3=CC=CC=N3)C 1 3.945 3 1 -14.2800938212607 24816986 COC1=CC(=C(C=C1)CN2CCNC(=O)C2CC(=O)NC3CCCCCC3)F 1 2.728 3 3 -32.1753258194079 24816985 CC1=CC=CC=C1CN2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4 1 3.85 3 2 -9.70172564579237 24816984 CN(C1CCOCC1)C(=O)CC2C(=O)NCCN2CC3=CC(=CC=C3)C(F)(F)F 1 1.214 3 3 0 -28.591507953385 24816983 C1CN(C(C(=O)N1)CC(=O)NCCC2=CC=CC=C2Cl)CCCC3=CC=CC=C3 1 3.571 3 2 -34.3917021591854 24816982 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)COC4=CC(=C(C=C4)Cl)C 1 4.103 4 4 0 -15.6447164251395 24816981 CC1=CC=CC=C1NC(=O)C(C)OC(=O)CSC(C)C(=O)NC2=NOC(=C2)C 1 2.368 3 5 0 -22.0697933196775 24816980 CN1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)F)Cl 1 2.547 3 4 0 -3.67256934479703 24816979 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-] 1 2.832 4 5 0 -19.9782205418577 24816978 CN(CC1=CC=C(C=C1)SC)C(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.246 2 2 -4.2745805078372 24816977 CC(C(=O)NCC1CCCO1)SC2=NN=C(O2)C3=CC=C(C=C3)OC(F)F 1 2.92 3 4 0 -10.9847274695864 24816976 C1CN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Br 1 2.361 2 3 -6.95938783102081 24816975 CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 2.553 3 5 0 -16.92652631162 24816974 C1=CC=C2C(=C1)C=CC=C2CC(=O)NCC(=O)NC3=CC=CC=C3F 1 2.823 2 2 -11.589202073661 24816973 CC1=CC(=C(C(=C1)C)OCC(=O)OC(C)C(=O)NC2CC2)C 1 3.012 1 4 -13.2749690082172 24816972 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C)(C)N3CCOCC3 1 2.42 3 4 0 -12.1172650519206 24816971 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 0.617 4 6 0 -28.6119836640488 24816970 C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.812 3 7 0 -17.9858012543059 24816969 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 -0.115 5 5 0 -25.8665608068519 24816968 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 4.195 2 3 -10.3018842171194 24816967 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCC(=O)OCC(=O)C3=CC=C(C=C3)Br 1 2.9 2 5 0 -17.6959855697803 24816966 C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=C(N3C=C(C=CC3=N2)Cl)CNCCC4=C(C=CC=N4)C 1 2.655 5 2 0 -17.761304889438 24816965 CC1=CC=C(C=C1)N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)C4=CC=CC=N4 1 3.955 4 1 -12.2433131084498 24816964 CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CCCN3CCCCC3=O)C 1 3.045 3 2 -23.4833385031191 24816963 C1CC(CN(C1)C(=O)CCN2CCCC2=O)NC3=CC(=C(C=C3)F)F 1 1.706 3 2 0 -21.0486314588184 24816962 CC1(CC(C2=C(C1)N(N=C2)C3=CC=CC=C3)NC(=O)C4=COC=C4)C 1 3.295 3 2 -14.1395127779241 24816961 CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)C4=C(N=NS4)C 1 3.106 5 1 -4.59800504301027 24816960 CC1=C(OC2=C1C=CC=C2F)C(=O)N(CC3CCCO3)CC4=CC=NC=C4 1 3.322 2 3 -2.28102047492594 24816959 COC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)OC 1 2.042 3 5 0 -17.2219976725419 24816958 CCN(CCN1C=CC=N1)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)COC 1 0.981 4 4 0 -20.3405223528901 24816957 CC(C)N(CC1=NC=CN1C)C(=O)CC2C(=O)NCCN2CC3=CC(=C(C=C3)F)F 1 1.438 5 2 0 -30.5866860839906 24816956 CCCOC1CCCN(C1)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)COC 1 1.565 2 5 0 -12.2274421881214 24816955 CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=NSN=C3 1 3.176 4 1 -10.7904414903447 24816954 C1CC(C2=C(C1)N(N=C2)C3=C(C=C(C=C3)F)F)NC(=O)C4=CSN=N4 1 3.118 5 1 -10.5479623739115 24816953 C1CC(CN(C1)C(=O)C2=C3C(=CC=C2)N=CC=N3)NC4=CC(=C(C=C4)F)F 1 3.066 4 1 -9.09069098971702 24816952 CN(CC1=NC=CS1)C(=O)CC2C(=O)NCCN2CC3=C(C=C(C=C3)OC)OC 1 0.63 4 4 0 -34.885040467754 24816951 CC1=CC(=C(C=C1C)CN2CCC(CC2)N3CCC(CC3)C(=O)NCC4CCCO4)C 1 3.511 3 2 -4.73376743592205 24816950 C1CC(=O)N(C1)CCCNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4 1 2.927 4 2 -12.2178868193415 24816949 COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F)N4CCOCC4 1 3.153 3 5 0 -15.9268892999337 24816948 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3CC4CCCC(C3)C4=O 1 1.158 2 8 0 -24.1307161939862 24816947 C1C(=O)NC2=CC=CC=C2N1C(=O)COC3=C(C(=CC(=C3F)F)F)F 1 2.284 2 3 -12.0822034823543 24816946 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 2.911 4 4 0 -17.7381268894089 24816945 C1CC(CN(C1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CN=C4C=CC=CN4C3=O 1 1.805 4 2 0 -4.50253808479178 24816944 CC(C)/C=C/C(=O)N1CCC(CC1)N2CCC(CC2)C(=O)NCC3=CC=CC=N3 1 1.826 4 2 0 -12.5224561707755 24816943 CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)C 1 3.047 3 3 -12.1397937381491 24816942 C1CC(CN(C1)C(=O)C2=NC=CN=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.293 5 1 1.84247216057074 24816941 CC1=CC(=C2C(=C1)C(=C(O2)C(=O)NCCC3CCCCO3)C)Cl 1 4.147 1 3 3.72655906097739 24816940 C1CC(CN(C1)CC2=CC=C(O2)CO)C(=O)NC3=CC=C(C=C3)C4=CSC=N4 1 2.353 3 3 5.26364129296941 24816939 CCOCC1=C(C=CC(=C1)CN2CCCC(C2)CNC(=O)C3=CC=CO3)OC 1 2.847 2 4 -6.81260396882632 24816938 COCCCC1CCN(CC1)C(=O)C2CCC(=O)N(C2)C3CCCC3 1 2.061 2 3 -21.1417656562075 24816937 C1CCON(C1)CCC(=O)N2CCCC(C2)NC3=CC(=CC=C3)F 1 1.891 3 2 0 -15.0567898297748 24816936 C1CCN(C(=O)C1)CCCC(=O)N2CCCC(C2)NC3=CC=C(C=C3)F 1 2.278 3 2 -21.783314750157 24816935 CC(C1=NC=CS1)N(C)C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC=C(C=C4)OC 1 3.429 3 3 -6.52562964968217 24816934 CC1=CC=CC=C1OC2CCN(CC2)C(=O)C3=NOC(=C3)COC4=CC=CC=C4 1 3.862 2 4 -10.4855487655965 24816933 CC(C)N(CC1=NC=CN1C)C(=O)C2=NOC(=C2)COC3=CC=C(C=C3)N4C=NC=N4 1 1.91 7 3 0 -14.6776300770162 24816932 CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)CN3CCOC3=O 1 2.448 3 3 -20.4391106530573 24816931 CC1=C(C2=C(C=C1)C(=C(O2)C(=O)N(C)CCC3CCCCO3)C)C 1 4.175 1 3 3.85583237284869 24816930 CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)CN3CCCN(CC3)C(=O)C4=CC=CO4 1 2.28 3 5 0 9.74714821927783 24816929 C1CC(CN(C1)C(=O)C2=NNC3=C2CCC3)NC4=CC(=CC=C4)F 1 3.196 4 1 -10.3661060244449 24816928 CC1=CC(=C(O1)C(=O)N(CCN(C)C)CC2CCCN(C2)CC3=CC=CC=C3F)C 1 3.893 3 2 -4.19139772169288 24816927 C1CC(CN(C1)C(=O)C2=CC(=NC=C2)Cl)NC3=CC=C(C=C3)F 1 3.119 3 1 -11.5916424125221 24816926 CCN1C(=CC(=N1)CC(C)C)C(=O)N2CCCC(C2)NC3=CC=C(C=C3)OC 1 4.122 4 2 -14.2484591309974 24816925 CC(C)CC1=NN(C(=C1)C(=O)N(C)C2CCCN(C2)CC3=CC=CC=C3F)C 1 4.26 4 1 -7.5801168496864 24816924 C1CC(CC=C1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl 1 3.908 4 1 -24.512759962318 24816923 CN(CCCC1CCCC1)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)CCOC 1 3.16 2 4 -15.7552011061914 24816922 CC1=C(OC2=C1C=CC=C2F)C(=O)NCC3=NN=C(O3)C4=CC=CC=C4 1 3.4 3 3 3.19859789698281 24816921 COC1=CC=CC=C1OCC(=O)N2CCCC(C2)NC3=CC(=CC=C3)F 1 3.215 2 3 -11.3242460360507 24816920 C1CCC(C1)CC(=O)N2CCCC(C2)NC3=CC(=CC=C3)F 1 3.647 2 1 -10.7575806041444 24816919 COC1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl 1 3.752 2 3 -5.0182200843236 24816918 CN(CCC1CCOCC1)C(=O)CC2C(=O)NCCN2CC3=C(C=C(C=C3)OC)OC 1 1.206 3 5 0 -34.8484131719528 24816917 CC1CN(CCN1C)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)CCC4=CC=CC=C4 1 3.577 3 2 -0.476684921130411 24816916 CCC1=CC=C(O1)CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4 1 3.692 3 2 6.21911757687834 24816915 CC(C)CC(C1CCN(CC1)C(=O)CCC2=NN=C(O2)C3=CC4=C(C=C3)OCO4)O 1 2.407 3 5 0 -12.6466624242461 24816914 COC1=CC=C(C=C1)NC2CCCN(C2)C(=O)CCN3C=CC=N3 1 1.924 4 2 0 -14.528346299363 24816913 CN(CCOC1=CC=CC=C1)C(=O)C2CCC(=O)N(C2)CC3=CC=CC=C3OC 1 2.594 2 4 -22.290245290931 24816912 CC(=O)N1CCC(CC1)OC2=C(C=C(C=C2)C(=O)N3C[C@@H]4CCC[C@H]3C4)OC 1 1.891 2 4 0 -11.2086924790193 24816911 CN(CCC1=CC=CC=C1)CCNC(=O)C2CCC(=O)N(C2)CC3=CC=CC=C3OC 1 2.799 3 3 -21.5507543081379 24816910 COC1=CC=CC=C1CCNC(=O)CC2C(=O)NCCN2CCCC3=CC=CC=C3 1 2.891 3 3 -37.0660992194981 24816909 CCOC(=O)C1(CCN(CC1)C(=O)C2=NOC(=C2)C)CC3=CC=CC=C3Cl 1 3.518 2 4 -5.10459533208466 24816908 C1CC(CN(C1)C(=O)C2=CC(=CC=C2)N3CCNC3=O)NC4=CC(=CC=C4)F 1 2.537 4 2 -18.5538709467775 24816907 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CN(N=N3)CC4CCCCC4 1 4.005 5 2 0 -18.1346438428806 24816906 CC(C)N1CCC(CC1)OC2=C(C=CC(=C2)C(=O)N3CCC(CC3)COC)OC 1 2.467 2 4 -11.5341881280325 24816905 CCOC(=O)CC1(CCCCC1)NC(=O)C2CCC(=O)N(C2)CCC3=CC=C(C=C3)OC 1 3.096 2 5 0 -24.7949872265716 24816904 COC1=CC=CC=C1CCNC(=O)C2CCC(=O)N(C2)CC3=CC=CC=C3OC 1 2.644 2 4 -26.5533922095293 24816903 C1CCC(C1)C(=O)NC2=CC=NN2C3CCN(CC3)CC4=CC=C(C=C4)Cl 1 3.753 4 1 -21.4300994635446 24816902 COC1=C(C=C(C=C1)C(=O)NC2CC2)OC3CCN(CC3)CC4=CC=CC=C4OCC=C 1 3.789 2 4 -16.1938037400828 24816901 CC1=CC(=C(O1)C(=O)NC2CC(CC3=C2C=NN3C4=CC=C(C=C4)OC)(C)C)C 1 4.202 3 3 -9.78594075142705 24816900 CCCN1C(=C(C=N1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC)C 1 2.734 6 2 0 -29.7003254165811 24816899 CN(CC1=NC=CS1)C(=O)C2CCC(=O)N(C2)CCC3=CC=C(C=C3)Cl 1 2.196 3 2 -18.7741775706295 24816898 CC1(CC(C2=C(C1)N(N=C2)C3=CC=C(C=C3)F)NC(=O)CCN4CCCCC4=O)C 1 2.958 4 2 -22.6887438918397 24816897 CC1=CC=C(C=C1)OCC(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)F 1 4.028 3 2 1.88103680832332 24816896 C1CN(CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC=C(O4)CO 1 1.738 4 3 0 -27.9560701081251 24816895 COC(=O)C1=CN=C(C=C1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.84 4 3 0 -3.82904029295201 24816894 CC(C)(C)CN1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl 1 3.629 4 1 -30.2097028179507 24816893 CC1=CC(=C(C=C1)C)OCC2=CC(=NO2)C(=O)N3CCC4=C(C3)C=CS4 1 4.069 2 3 -16.7199921251573 24816892 CCOC(=O)C1CCCN(C1)C(=O)CCCN2C(=NN=N2)CN3CCC(CC3)C 1 1.222 6 3 0 -35.1438457949061 24816891 CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NC3CCC4=CC=CC=C34 1 4.25 2 3 -19.0583191910901 24816890 CC1=CC=C(C=C1)N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)C4=CC=[N+](C=C4)[O-] 1 2.683 4 2 -14.7977309418775 24816889 CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4CCOCC4 1 3.826 3 2 -0.799317727039871 24816888 CC1=CC=CC=C1C(=O)N2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4 1 2.003 4 2 -35.911439180264 24816887 C1CN(CCC1N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)F)CC4=CC=CC=N4 1 2.353 5 1 -27.6022833381599 24816886 C1CC(CN(C1)C(=O)CCN2CCOCC2)NC3=CC=C(C=C3)F 1 1.674 3 2 0 -9.8230430129885 24816885 CC(C)N(CC1=NC=CN1C)C(=O)C2=NOC(=C2)COC3=CC=CC=C3SC 1 2.909 4 3 0 -17.322595614537 24816884 COC1=CC=CC(=C1)CN2CC(CCC2=O)C(=O)N3CCCO3 1 0.689 2 4 0 -20.5089679453859 24816883 CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NCCC3CCCCO3 1 2.984 2 4 -24.8507583627725 24816882 C[C@@]12C[C@@H](CC(C1)(C)C)N(C2)C(=O)C3=NOC(=C3)COC4=C(C=C(C=C4)Cl)OC 1 4.461 2 4 -19.5538996748538 24816881 COC1=CC(=CC=C1)OCC2=CC(=NO2)C(=O)N3CCN(CC3)C4CCCC4 1 3.114 3 4 0 -7.62399412959181 24816880 CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=CC(=C(C=C3)OC)F)C 1 4.352 2 2 -8.39657180997298 24816879 CCOC(=O)CC1CCCCN1C(=O)CCCN2C(=NN=N2)CN3CCOCC3 1 0.18 6 4 0 -38.0970698244302 24816878 COC1=CC(=CC=C1)OCC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.901 2 6 0 -15.9601342422853 24816877 CCOC1=CC=C(C=C1)CN2CCNC(=O)C2CC(=O)NCCN3CCOC3=O 1 0.417 4 5 0 -43.8376892694979 24816876 CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CN4CCCC4=O)C 1 2.563 4 2 -16.7014042977033 24816875 CC1=C(NC(=C1C(=O)N2CCCC(C2)NC3=CC(=CC=C3)F)C)C(=O)C 1 3.153 3 2 -12.0441659024073 24816874 CSC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4 1 2.059 4 2 -31.9875846409865 24816873 CC(C)(CN1CCC(CC1)N2C(=CC=N2)NC(=O)C3CCCC3)CO 1 1.88 4 2 0 -25.3697600141076 24816872 COC(=O)C1=CC=C(C=C1)CN2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4 1 3.051 3 3 -12.8549701553849 24816871 CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CCN(CC3)C(C)CSC 1 2.977 4 1 -37.7561730142304 24816870 CC1=C(SC(=N1)C)C(=O)N2CCCC(C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC 1 3.437 2 3 -1.3776221319751 24816869 CC1=CC=C(O1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4 1 2.494 4 3 0 -28.5559370915329 24816868 CCOC1=CC=CC(=C1O)CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4 1 3.639 4 3 0 0.657289457340262 24816867 CC1=C(C(=NN1)C)CCN(C)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)Cl)OC 1 3.196 4 4 0 -13.3120624011702 24816866 COCC1=CC=C(O1)CN2CCCC(C2)C(=O)NC3=CC=CC=C3C4=CC=C(C=C4)OC 1 3.861 2 4 7.91526271756699 24816865 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)N(C)CC3=CC=CC=C3F 1 4.013 2 3 -7.74449154611231 24816864 C1CN(CCC1C(=O)NC2=C(C=C(C=C2)F)Cl)C(=O)NC3=CC=CC=C3 1 3.278 3 2 -0.765123339953317 24816863 CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3 1 2.697 2 6 0 -29.6052128474952 24816862 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)C2=C(C=C(C=C2)Br)Cl 1 2.249 3 6 0 -15.3159903531295 24816861 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NN=C(S3)NCCOC 1 0.806 6 3 0 -25.1784463197313 24816860 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=C(C=C3)N4CCCC4=O 1 1.71 3 6 0 -32.9441559602404 24816859 COC1=CC=CC(=C1)CNC(=O)CCNC(=O)C2=CC=CC=C2OC 1 1.896 2 4 0 -18.6170423218585 24816858 CC(C)C1=NC(=CS1)C(=O)N2CCCC(C2)NC3=CC=C(C=C3)OC 1 3.448 3 2 -13.437876547063 24816857 COC1=CC=C(C=C1)NC2CCCN(C2)C(=O)CCC3=CC=CC=C3F 1 3.871 2 2 -10.7015220636257 24816856 COC1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=CC=NC=C3 1 2.024 3 2 -8.32648423559245 24816855 CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4OC 1 3.676 2 4 4.39152263175597 24816854 CCN1C=C(C(=N1)C)CN2CCCC(C2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4 1 4.68 5 1 11.5115475341032 24816853 C1CC(CN(C1)CC2=CC=CC=C2F)NC(=O)COC3=CC=CC=C3 1 3.29 2 2 -3.82106784357024 24816852 CC1=CC=CC=C1N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)C4=C(N=NS4)C 1 3.797 5 1 -21.6462485690276 24816851 CC1=C(N=CC=C1)CCNC(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)COC 1 1.511 3 4 0 -17.3251243909614 24816850 C1CC(CN(C1)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4 1 3.697 3 1 6.1435866415733 24816849 CN(CC1CCCN(C1)CCC2=CC=C(C=C2)Cl)C(=O)C(=O)C3=CC=CO3 1 3.788 2 3 5.24506129043927 24816848 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCCC3)C)C 1 4.607 2 3 -13.4645479006808 24816847 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F 1 1.826 4 4 0 -12.1614565931548 24816846 C1CCC(CC1)(CNC(=O)C2=CNC(=O)C=C2)N3CCCCC3 1 1.614 3 2 0 -12.6505055906812 24816845 CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=NC=C(C=C3N2)Cl)OCC 1 3.767 4 3 0 -16.2270978722282 24816844 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 4.014 3 4 0 -29.7297597490534 24816843 COC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCN3CCCC3=O 1 1.889 3 5 0 -24.70200686206 24816842 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 -0.642 4 8 0 -20.9522993704997 24816841 CCN1C=C(C(=N1)C)CN2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4 1 2.803 6 1 0 4.79608137281703 24816840 COC1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=CC=CS3 1 3.128 2 2 -12.8640108695112 24816839 CC1=NC=C(C=C1)C(=O)N2CCCC(C2)NC3=CC=C(C=C3)OC 1 2.306 3 2 -12.07711751465 24816838 COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C(=O)C3=C(C(=CC=C3)Cl)F)OC 1 4.092 1 4 -5.76518196214081 24816837 CN(CC1CCCN(C1)CCC2=CC=CC=C2OC)C(=O)C3=COC=C3 1 2.93 2 3 -4.68263788921003 24816836 CC(C)N1CCC(CC1)OC2=C(C=CC(=C2)C(=O)NC(C)C3=NC=CS3)OC 1 2.558 3 3 -17.5511037064478 24816835 COCCN1CCN(CC1)C(=O)CCC2=NN=C(O2)C3=CSC=C3 1 0.507 4 3 0 -12.9098555723084 24816834 COC1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=NN4C=CC=NC4=C3 1 1.876 5 2 0 -9.91551083080498 24816833 C1CCN(C1)C(=O)C2CCC(=O)N(C2)CCC3=CC(=CC=C3)F 1 1.966 2 2 0 -15.7056357405772 24816832 CC1=C(C=CO1)C(=O)N(C)CC2CCCN(C2)CCC3=CC=CC=C3F 1 3.297 2 2 2.3140140131141 24816831 C1CC(CN(C1)C(=O)CC2=CC=C(C=C2)N3CCNC3=O)NC4=CC(=CC=C4)F 1 2.572 4 2 -19.7894451292297 24816830 CC1=CC(=C(C=C1C)CN2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4)C 1 4.625 4 2 -27.7446784126414 24816829 CN(CC1=NOC=C1)C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl 1 3.646 3 3 -7.44193031528824 24816828 C1CC(CN(C1)C(=O)CC2=CC=CC=C2Cl)CNC(=O)C3=CC=C(C=C3)F 1 3.561 2 2 -13.482460938908 24816827 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC(=O)C3=CC=CC=C3OC)C 1 3.401 0 6 -13.9661535456815 24816826 CC1=CC(=C(C(=C1)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.713 2 5 0 -21.931312765299 24816825 C1CN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.554 2 3 -1.81317419459925 24816824 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.757 2 2 -11.002993768584 24816823 CCOC(=O)N1CCN(CC1)C(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 -0.751 4 8 0 -18.2285996016031 24816822 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)S(=O)(=O)NC4=CC=CC=C4OC 1 4.21 3 4 0 -6.24108669329991 24816821 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 1.856 4 5 0 -7.24682256343609 24816820 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCN3CCCC3=O 1 1.574 3 5 0 -23.9961813041668 24816819 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-] 1 2.974 6 3 0 -4.2742438358696 24816818 CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.492 3 4 0 -9.4021271396958 24816817 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3 1 1.601 4 4 0 -21.3526446743122 24816816 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCCCCC3 1 4.047 2 3 -7.21729454493763 24816815 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F 1 3.662 2 4 -7.30460028638846 24816814 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 3.203 3 4 0 -6.17252835220328 24816813 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CN2C(=O)C3CC=CCC3C2=O 1 1.922 2 5 0 -9.43046476293611 24816812 C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N 1 0.367 3 4 0 -14.658293476303 24816811 CN(CC1=CC(=CC=C1)OC)C(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 2.867 2 3 -13.8763875803228 24816810 COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F 1 3.871 3 3 -24.0410611455755 24816809 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-] 1 3.614 4 4 0 -13.8375348247717 24816808 CCCCCCCNC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC2CC(=NO2)C3=CC=C(C=C3)Cl 1 5.84 3 4 0 -12.003857784644 24816807 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCC(CC2)(CC3CC(=NO3)C4=CC(=CC=C4)Br)C(=O)NCC5CCCCC5 1 6.503 3 6 0 -13.5358347778087 24816806 CC1(CC1)C(=O)N2CCC(CC2)(CC3CC(=NO3)C4=CC(=CC=C4)Br)C(=O)NCC5CCCCC5 1 5.016 3 3 -8.13645780598704 24816805 C1CCC(CC1)CNC(=O)C2(CCN(CC2)C(=O)CC3=CC=C(C=C3)F)CC4CC(=NO4)C5=CC(=CC=C5)Br 1 5.746 3 3 -8.94372853115239 24816804 C1CCC(CC1)CNC(=O)C2(CCN(CC2)C(=O)C3=CC=CC=C3)CC4CC(=NO4)C5=CC(=CC=C5)Br 1 5.506 3 3 -7.59589544430979 24816803 CC(C)(C)OC(=O)N1CCC(CC1)(CC=C)C(=O)NCCO 1 1.233 2 4 0 -12.61113041029 24816802 CCCCCCCNC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC2CC(=NO2)C3=CC(=CC=C3)Br 1 5.924 3 4 0 -11.0326627195387 24816801 CC(C)(C)OC(=O)N1CCC(CC1)(CC2CC(=NO2)C3=CC(=CC=C3)Br)C(=O)NCC4CCCCC4 1 5.416 3 4 0 -8.67590724319573 24816800 CC(C)(C)OC(=O)N1CCC(CC1)(CC2CC(=NO2)C3=CC(=CC=C3)Br)C(=O)OC 1 3.874 2 5 0 -4.81048152423995 24816799 CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=NO2)C3=CC=C(C=C3)Cl)C(=O)O 1 4.096 2 5 0 4.00560536984427 24816798 C1=CC(=CC=C1C(=O)O)NC2=NC3=C(N2)C=C(C=C3)Cl 1 3.094 3 2 2.58462685779306 24816797 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC4(CC3)CC(=NO4)C5=CC=CC=C5)NC(=O)C6=CC(=CC=C6)OC 1 5.295 4 4 0 -10.3764034334729 24816796 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC4(CC3)CC(=NO4)C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)Br 1 6.06 4 3 0 -9.60035600819971 24816795 CCCCCCCC(=O)NC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)C)N3CCC4(CC3)CC(=NO4)C5=CC=CC=C5 1 6.595 4 3 0 -15.6086030735919 24816794 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC4(CC3)CC(=NO4)C5=CC=CC=C5)NC(=O)C6=CC=CO6 1 4.707 4 4 0 -9.60644878002148 24816793 CCCCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)NCCC)N2CCC3(CC2)CC(=NO3)C4=CC=CC=C4 1 5.404 4 3 0 -14.7447983220174 24816792 CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC=CC=C4)NC(=O)C5=CC=CO5 1 3.51 4 4 0 -11.2678886216989 24816791 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)CN2C(=O)C3CCCCC3C2=O)N 1 1.479 5 5 0 -14.7838618566969 24816790 C1CC(=O)N(C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 1.908 2 6 0 -18.3718506930505 24816789 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 1.977 2 6 0 -27.5862207529981 24816788 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3F 1 0.873 5 4 0 -26.1063749625993 24816787 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C 1 2.542 3 5 0 -22.1046513507811 24816786 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4CCCCC4C3=O)OC 1 2.427 3 5 0 -7.68155058005404 24816785 CC1(CCS(=O)(=O)C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 1.224 2 6 0 -25.2810372210315 24816784 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)N4CCOCC4 1 2.027 4 3 0 -15.4491940860714 24816783 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 4.806 2 3 -14.6764770469616 24816782 CC1=CC(=NC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C 1 4.023 3 3 -6.89422504415378 24816781 CC1=C(C(=CC=C1)NC(=O)CNC(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2)C 1 1.979 2 6 0 -22.8433351337139 24816780 CCCCC1CCC(CC1)C(=O)N(CCCC)C2=C(N(C(=O)NC2=O)CCCC)N 1 4.409 4 3 0 -13.0321284690327 24816779 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)OC 1 1.679 3 4 0 -22.1139250345711 24816778 CC(=NNC(=O)CNC(=O)/C=C/C1=CC=CC=C1OC)C2=CC=C(C=C2)Cl 1 2.839 3 3 -11.3522218707987 24816777 CC(=NNC(=O)CNC(=O)/C=C/C1=CC=C(C=C1)OC)C2=CC=C(C=C2)Cl 1 2.839 3 3 -11.0235385141079 24816776 CC(=NNC(=O)CNC(=O)/C=C/C1=CC=C(C=C1)OC)C2=CC=CO2 1 1.57 3 4 0 -10.5438103217444 24816775 CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN/C=C\3/C=CC=N3 1 1.55 3 3 0 0.526085146173921 24816774 CC1=NN(C(=C1C(=O)N(C)CC(=O)NC2=C(C=CC=C2Cl)Cl)Cl)CC(C)C 1 3.792 4 2 -11.2975688189893 24816773 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 2.27 1 5 -15.2854111161667 24816772 CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C)Br 1 3.57 2 4 -19.0594030510182 24816771 CC(=NNC(=O)CNC(=O)/C=C/C1=CC=CC=C1)C2=CC=CO2 1 1.586 3 3 0 -10.4001821562094 24816770 CCCN1C2=C(C(=NC(=N2)CC(C)C)SCC(=O)NCC(C3=CC=CC=C3)N(C)C)C(=O)N(C1=O)C 1 3.831 6 3 0 -18.502278115127 24816769 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)CN2C(=O)C3CCCCC3C2=O 1 1.398 3 4 0 -15.157155433994 24816768 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F 1 4.011 2 4 1.19694589707606 24816767 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 0.739 3 8 0 -23.4185490532274 24816766 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=CC=C2)N3C=NN=N3 1 2.126 6 2 0 -26.1613800763454 24816765 CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)COC3=C(C=C(C=C3)F)Cl)N 1 3.27 4 5 0 -8.85357841668338 24816764 CC1CCCC(C1C)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.669 3 4 0 -18.3931268009913 24816763 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N 1 1.546 3 7 0 -25.663871185991 24816762 CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 3.471 2 6 0 -6.29536129990259 24816761 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.273 3 4 0 -28.3363934924475 24816760 C1CCC(=NNC(=O)C2=CC=CC=C2N3C=CC=C3)CC1 1 3.284 3 1 -9.65418260881022 24816759 CC(C(=O)NNC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCOCC2)OC3=CC=CC=C3F 1 1.406 3 6 0 -24.1664729636476 24816758 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)/C=C/C4=C(C=CC(=C4)OC)OC 1 3.552 4 5 0 -16.2850215955222 24816757 COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.085 3 5 0 -21.1169922226513 24816756 C[C@@H]1C2CC(C1(C)C)CC2=NNC(=O)C3=CC=NC=C3 1 1.854 3 1 0 -6.07312718557131 24816755 CC1=C(C=C2C(=C1)C(=CO2)CC(=O)NC3(CCS(=O)(=O)C3)C)C 1 2.061 1 4 -10.6540161106851 24816754 C1=CC=C2C(=C1)C=CC=C2C(=O)COC(=O)C3=CC=C(C=C3)CO 1 3.245 0 4 -5.40731160513089 24816753 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)F)C 1 3.172 5 2 0 -6.73474371757294 24816752 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCCC4 1 2.973 4 4 0 -16.4497212000906 24816751 C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC=CC=N3 1 2.84 3 3 -22.8737831647409 24816750 CCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 2.248 3 3 -18.2981806901187 24816749 CCN1C(=CC(=N1)C)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.738 5 1 -0.812925009153838 24816748 CC1=C(C(=NN1C)C)CCC(=O)N2CCCC(C2)NC3=CC=C(C=C3)C(C)C 1 3.954 4 1 -9.47857171596741 24816747 CN1C(=CC=N1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 3.138 3 2 -3.40153293665166 24816746 C1CC(CN(C1)C(=O)C2=COC=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.27 3 2 2.40076734050409 24816745 C1COCCN1C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl 1 3.081 2 3 -7.13160890556667 24816744 CC1=NON=C1CN(C)C(=O)CC2C(=O)NCCN2CC3=CC=CC=C3F 1 0.522 5 3 0 -39.6837590117111 24816743 CCOC(=O)N1CCN(CC1)C(=O)C2CCC(=O)N(C2)CC3=CC=C(C=C3)Cl 1 1.852 3 4 0 -16.6014084792562 24816742 C1CN(CCC1C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)CC4=CC(=CC=C4)Cl 1 4.234 3 2 5.69100951082511 24816741 C1CC(CN(C1)C(=O)C2=CC=CC=C2N3CCOCC3)NC4=CC=C(C=C4)F 1 3.246 3 2 -7.68009461753768 24816740 CCC1=NC=C(C=N1)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4 1 2.406 5 1 10.2577916300869 24816739 C1CC1N2CC(CCC2=O)C(=O)NCC3=CC(=CC=C3)Cl 1 1.926 2 2 0 -18.0435598205752 24816738 CC(=O)C1=CC=C(S1)C(=O)N2CCCC(C2)C(=O)C3=CC=CC=C3OC 1 3.223 1 4 -10.4227516034702 24816737 CC1=NN(C=C1CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=C(C=C4)OC)C 1 1.999 6 2 0 -26.0440253886945 24816736 CCC1=NOC(=C1C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC(=CC=C4)Cl)C 1 3.715 4 2 -3.34438934882385 24816735 CC1=C(SC=C1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 4.605 3 1 2.73928388066687 24816734 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-] 1 3.288 4 5 0 -20.3326890560258 24816733 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F)OC 1 3.617 3 4 0 -1.15227460759536 24816732 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=CC4=CC=CC=C43 1 1.737 4 6 0 -9.92937168252296 24816731 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)C 1 3.531 3 3 -17.487864034754 24816730 CN(CC1=CC=CO1)C(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 2.393 3 3 -24.1891395461988 24816729 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)C#N 1 3.513 2 3 -11.2969709454494 24816728 CC1=C(SC(=N1)CCNC(=O)C2CCC(=O)N(C2)CCOC)C 1 -3.3e-002 3 3 0 -22.1549181749842 24816727 CCC(C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=CC=N4)O 1 2.898 3 3 -7.01141879684919 24816726 CN(CCCN1CCOCC1)C(=O)C2=NOC(=C2)COC3=CC=CC(=C3)C(F)(F)F 1 2.602 3 4 0 -8.53375252659623 24816725 CC1=C(OC2=C1C=CC=C2F)C(=O)NC(C3=CC=CC=N3)C(F)(F)F 1 4.115 2 2 -2.58515125479418 24816724 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl 1 2.237 6 4 0 -8.60255381200935 24816723 CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 3.245 2 4 -17.6684750139793 24816722 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCN3CCOCC3)C 1 1.425 3 4 0 -20.7743270017638 24816721 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4CC=CCC4C3=O)OC 1 1.982 3 5 0 -6.16161502249345 24816720 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=CC(=CC=C2)C(F)(F)F 1 3.715 4 5 0 -13.1561259299185 24816719 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 -0.284 3 8 0 -21.1226114276953 24816718 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 2.156 5 4 0 -16.4386001556282 24816717 COC1=C(C=C(C=C1)CC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 3.227 2 5 0 -19.06185028588 24816716 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3 1 1.389 5 6 0 -11.9864562021902 24816715 C1CC1N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C(=O)C4=CC(=NC5=CC=CC=C54)Cl 1 4.533 4 2 -5.93489575783471 24816714 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl 1 3.1 2 4 -8.80285808497984 24816713 CC1=CC=C(C=C1)OCCNC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 3.54 3 3 -25.1558387008431 24816712 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 2.413 3 4 0 -21.6258984883845 24816711 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4 1 3.478 3 3 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3 0 -14.9629294424518 24816700 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CCC3=CC=CC=C3 1 3.467 3 3 -11.1060285663515 24816699 CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC 1 2.325 3 6 0 -22.5005059610306 24816698 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CS3)N4CCOCC4 1 3.503 3 4 0 -18.1465108256571 24816697 CC(C)CC1=NN=C(S1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.014 3 3 -14.8847149902259 24816696 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)COC(=O)C2=CC=CC=C2OCC)N 1 0.906 4 7 0 -14.573878630158 24816695 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N(CC)C3CCS(=O)(=O)C3 1 1.375 3 6 0 -28.8564554925196 24816694 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 3.179 3 3 -10.7559744540402 24816693 CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CCCCN3C(=O)C4=C(OC=C4)C)C 1 2.836 4 3 0 -13.1921319353954 24816692 CC1=NN(C=C1)CC(=O)N2CCCC(C2)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.95 5 1 -3.68575584314307 24816691 CC(CC1=CN=CC=C1)NC(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)OC)Cl 1 3.345 3 4 0 -15.8175205077728 24816690 CC1=CC(=C(O1)C)C(=O)N2CCCC(C2)(CC3=CC=C(C=C3)F)CO 1 2.752 1 3 3.96253740836761 24816689 COC1=CC=C(C=C1)OCC(=O)N2CCCC(C2)(CCOC3=CC=CC=C3)CO 1 2.884 1 5 4.05799476593724 24816688 C1CC(CN(C1)C(=O)CCC2=CC=CC=N2)NC3=CC=C(C=C3)F 1 2.744 3 1 -11.2553891938887 24816687 C1CN(CCC1C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)CC4=C(C=CC(=C4)Cl)O 1 3.992 3 3 9.72531116193908 24816686 CC1=CC(=CC(=C1Cl)C)OCC2=CC(=NO2)C(=O)N3CCN(CC3)CC4CC4 1 4.186 3 3 -6.42598427586888 24816685 CC1=C(C(=NO1)C)C(=O)N2CCCC(C2)NC3=CC=C(C=C3)OC 1 2.056 3 3 -14.8054276222472 24816684 CCOC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)NCC3=CC=CC=N3 1 1.205 4 3 0 -39.5359779056011 24816683 COC(=O)C1CCCCN1C(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=CC=C4 1 3.489 2 4 -9.51416481082189 24816682 C#CC1=CC=C(C=C1)CN2CCC(CC2)C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4 1 5.236 3 2 7.91600487246882 24816681 C1CC(CN(C1)C(=O)C2=CC=CS2)(CCC3=CC=CC=C3)CO 1 3.561 1 2 0.447837045358528 24816680 CCC1=NN(C(=C1)C(=O)N2CCCC(C2)(CC3=CC=C(C=C3)F)CO)C 1 3.248 3 2 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COC1=CC(=CC(=C1OC)OC)NC(=O)[C@H]2CSCN2C(=O)[C@@H]3CCC(=O)N3 1 0.167 3 6 0 -18.0526673619522 24816574 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NCC2=CC(=CC=C2)OC 1 0.401 3 7 0 -20.5457187741197 24816573 CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCN3CCOCC3)C 1 2.387 3 4 0 -11.0456906286769 24816572 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 0.917 3 8 0 -22.140661018655 24816571 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.777 3 7 0 -21.4690350251173 24816570 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3N4CCCC4 1 2.312 4 3 0 -18.9282774702363 24816569 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.811 3 7 0 -25.9842012036721 24816568 C1COCCN1CCN2C(/C(=C(\C3=CC4=C(C=C3)OCO4)/O)/C(=O)C2=O)C5=CC(=C(C=C5)Cl)Cl 1 3.299 2 6 0 -11.2488829447926 24816567 C1OC2=C(O1)C=C(C=C2)/C(=C/3\C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC(=CC=C5)F)/O 1 2.782 2 5 0 -7.9076674512102 24816566 CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4 1 3.142 5 4 0 -2.23562603697198 24816565 C1=CC=C(C=C1)CCNC(=O)COC(=O)CNS(=O)(=O)C2=C(C=C(C=C2)Br)Cl 1 2.825 2 5 0 -14.0600187552033 24816564 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3 1 1.811 3 5 0 -21.3141565273464 24816563 CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.341 3 5 0 -21.1060579709548 24816562 CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=N3 1 2.616 3 3 -11.8882336550126 24816561 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.587 2 6 0 -11.2798683713666 24816560 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 0.816 4 6 0 -18.1089452846165 24816559 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=C(C=CC(=C4)OC)OC 1 3.223 3 6 0 -7.03679534502669 24816558 CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 0.121 5 7 0 -15.3979891882329 24816557 CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 4.701 2 4 -16.9056772768009 24816556 CC1CCCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.951 2 4 -12.1628527475077 24816555 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.326 3 5 0 -25.8615421834749 24816554 CC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2(CCCCC2)C#N 1 3.283 2 3 -10.8497774066385 24816553 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F)OCC 1 2.324 2 8 0 -32.8560727960489 24816552 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 1.996 2 7 0 -20.1551658846139 24816551 CN(C)C1(CCCCC1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)OC 1 4.027 3 4 0 -11.2162921781383 24816550 CN1C2=C(C=C(C=C2)S(=O)(=O)CCC(=O)NC3=C(C(=C(C(=C3F)F)F)F)F)N(C(=O)C1=O)C 1 1.9 3 5 0 -15.0006815997568 24816549 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)CCC(=O)C2=CC=CS2)OCC 1 3.223 1 6 0 -24.1190259743814 24816548 CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 2.706 2 5 0 -14.8359132594708 24816547 CC(C)(CNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F)N3CCOCC3 1 2.14 3 4 0 -11.2153395126906 24816546 CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NNC(=O)C2=CSC(=N2)N3CCOCC3 1 0.587 5 5 0 -21.8923078233911 24816545 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)COC2=CC=CC=C2CC3=CC=CC=C3 1 3.159 3 4 0 -16.1512129751495 24816544 CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)C 1 3.747 3 4 0 -22.3425259490183 24816543 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.969 3 4 0 -8.14260509498838 24816542 CCC1=C(SC(=C1)C(=O)N(C)CC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC(C)C)N)C 1 2.36 5 4 0 -12.520583499504 24816541 CC1=CC=CC(=C1)/C=C\2/C(=O)N(C3=C(S2)C=CC(=C3)C(=O)N4CCCCC4)C 1 4.098 2 2 -5.38708468443034 24816540 CN1C2=C(C=CC(=C2)C(=O)N3CCCC3)S/C(=C\C4=CC(=CC=C4)Cl)/C1=O 1 3.82 2 2 -3.56925206021641 24816539 CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C)OC(=O)C4=CC=CO4 1 3.776 4 7 0 -20.5031563575796 24816538 COC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C)OC(=O)C4=CC=CO4 1 3.427 4 7 0 -19.6100410855325 24816537 COC1=C(C=CC(=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)S(=O)(=O)C)OC(=O)C4=CC=CO4 1 3.427 4 7 0 -23.180687575046 24816536 CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\C3=CC=C(C=C3)OC(=O)C4=CC=CO4)/C(=N)N21 1 3.792 4 6 0 -20.3770877771461 24816535 CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)OC)/C(=N)N21 1 4.084 4 7 0 -25.5504076528617 24816534 CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)/C(=N)N21 1 3.751 4 6 0 -20.2020137343952 24816533 CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)/C(=N)N21 1 4.1 4 6 0 -23.5364943097381 24816532 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)OC)OC)OC)CS(=O)(=O)C3=CC=C(C=C3)C 1 2.676 2 8 0 -30.2199982333135 24816531 CCOC(CNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C)OCC 1 1.194 3 7 0 -27.882047053944 24816530 COC1=C(C=C(C=C1)Cl)S(=O)(=O)CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)O)C(=O)OC 1 2.296 2 7 0 -23.3897579787524 24816529 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC(OC)OC)OC1=O 1 0.416 3 7 0 -21.5953992856007 24816528 C1=CC=NC(=C1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 2.951 4 2 -4.60492932746651 24816527 COC1=C(C(=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)OC 1 2.959 4 8 0 -14.5024160571346 24816525 CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC(=O)C4=CC=CC(=C4)C5=CC(=O)NN=C5.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.124 6 3 0 -9.93335645742564 24816523 CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC(=O)C4=CC=CC(=C4)C5=CC(=O)NN=C5)C(F)(F)F.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.551 6 3 0 -10.7163544330474 24816521 CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)OC)NC(=O)C4=CN=CC(=C4)C5=CC=CS5)C(F)(F)F.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 5.026 5 3 0 -7.97794282157243 24816519 CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)OC)NC(=O)C4=NOC(=C4)C)C(F)(F)F.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.733 5 4 0 -15.4876743057276 24816518 CCOC(=O)C1=NN(C(=C1)C2=CC=CC=C2)CC3CC(=NO3)C4=CC=C(C=C4)OC 1 4.363 3 4 0 -6.01289679322985 24816517 COC1=CC=C(C=C1)C2=NOC(C2)CN3C(=CC(=N3)C(=O)O)C4=CC=CC=C4 1 3.789 3 4 0 -4.47315360456748 24816516 C1C=CCC1(C(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3 1 2.766 1 3 -11.3690986163744 24816515 C1C=CCC1(C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 2.208 1 4 -10.6743334487398 24816514 C1CC1CNC(=O)C2(CC=CC2)S(=O)(=O)C3=CC=CC=C3 1 2.263 1 3 -9.62808289145148 24816513 C1CCN(CC1)C(=O)C2(CC=CC2)S(=O)(=O)C3=CC=CC=C3 1 2.565 1 3 -6.45622403223567 24816512 COCCNC(=O)C1(CC=CC1)S(=O)(=O)C2=CC=CC=C2 1 1.312 1 4 0 -12.4013446906779 24816511 CC(C)NC(=O)C1(CC=CC1)S(=O)(=O)C2=CC=CC=C2 1 2.169 1 3 -12.2971878051482 24816510 CCCNC(=O)C1(CC=CC1)S(=O)(=O)C2=CC=CC=C2 1 2.315 1 3 -10.9800370884966 24816509 C1COCCS(=O)(=O)N1CC2=CC=CC=C2 1 0.641 1 3 0 -3.14640339039383 24816508 CC1=CC=C(C=C1)SC[C@H](CC2=CC=CC=C2)N3CC[C@H](CCC3=O)NC(=O)OCC4=CC=CC=C4 1 5.955 2 3 -8.3807472166009 24816507 CCCC[C@H]1COCCS(=O)(=O)N1CC2=CC=C(C=C2)Br 1 3.203 1 3 -4.45400281685897 24816506 CC1=CC=C(C=C1)SCCN2CCC(CCC2=O)NC(=O)OCC3=CC=CC=C3 1 4.021 2 3 -12.2835475955615 24816505 CCOC(=O)/C=C/1\CN(S(=O)(=O)C2=CC=CC=C12)CC3=CC(=C(C(=C3)OC)OC)OC 1 2.867 1 7 0 -4.95014854709308 24816504 CC1=C(N2[C@@H]([C@@H](C2=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)SC1)C(=O)OCC5=CC=CC=C5 1 5.389 2 3 -8.12373007476755 24816503 C1CCC(CC1)C[C@H]2COCCS(=O)(=O)N2CC3=CC=C(C=C3)Cl 1 3.912 1 3 -1.65273470713688 24816502 CCC1COCCS(=O)(=O)N1CC2=CC=CC=C2C 1 2.029 1 3 -5.74900298762656 24816501 CCC[C@H]1COCCS(=O)(=O)N1CC2=CC=CC=C2F 1 2.204 1 3 -5.7924219842748 24816500 C1COCCS(=O)(=O)N1CC2=C(C=C(C=C2)Cl)Cl 1 1.97 1 3 0 -0.381987269927847 24816499 CC1=CC(=CC=C1)CN2CCOCCS2(=O)=O 1 1.127 1 3 0 -1.50141022765536 24816498 CCOC(CNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)OCC 1 9.9e-002 3 7 0 -25.8346455818173 24816497 CS(=O)(=O)NC1=CC=C(C=C1)C2=CC(=CNC2=O)/C=C\3/C(=O)N=C(S3)N 1 0.192 4 4 0 -5.38119890115837 24816496 C1=CC(=CC(=C1)/C=C\2/C(=O)N=C(S2)N)C3=CC=C(C=C3)S(=O)(=O)N 1 2.22 3 3 -1.98807895056083 24816495 CS(=O)(=O)NC1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=O)N=C(S3)N 1 2.113 3 4 0 -2.42358579303767 24816494 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(O3)C=C4C(=O)NC(=O)NC4=O 1 0.874 3 7 0 -17.1476289732582 24816492 CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C(C=N4)NC5=NC(=NC(=C5)N6CCNCC6)C)C(F)(F)F.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.827 10 1 0 -7.11773401266151 24816490 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)/C=C/C3=CN=C(C=N3)NC4=NC(=NC(=C4)N5CCNCC5)C.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.447 8 1 0 -3.37711474246877 24816489 CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC(=O)C(=O)C4=CNC5=CC=CC=C54)C(F)(F)F.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 5.386 5 3 0 -6.43533834058618 24816488 CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC(=O)N4CCNC4=O)C(F)(F)F.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 3.343 6 3 0 -16.9958220486797 24816487 CCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)NCC4=CN=C(C=N4)NC(=O)OC)C(F)(F)F 1 4.031 7 3 0 -6.58815059246596 24816486 CCCCCCCCCCCCN1C/C(=C\C(=O)OCC)/C2=C(S1(=O)=O)C=CC(=C2)C(F)(F)F 1 7.253 1 4 2.86315142867441 24816485 CCC(C)[C@H]1COCCS(=O)(=O)N1CC2=C(C=C(C=C2)Cl)Cl 1 3.647 1 3 -2.71151221537554 24816484 CC1=CC=C(C=C1)S[C@@H](CCN2CC[C@@H](CCC2=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4 1 5.696 2 3 -13.9245935762198 24816483 CC1=CC=C(C=C1)S[C@@H](CCN2CC[C@@H](CCC2=O)O)C3=CC=CC=C3 1 3.737 1 2 -8.75505324256894 24816482 CC1=CC=C(C=C1)SC[C@H](C)CN2CC[C@@H](CCC2=O)NC(=O)OCC3=CC=CC=C3 1 4.533 2 3 -12.0761716413161 24816481 CCC(C)[C@H]1COCCS(=O)(=O)N1CC2=CC=C(C=C2)C 1 2.804 1 3 -4.66111343106193 24816480 CN1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CO 1 1.046 2 2 0 -6.96327999161604e-002 24816479 CCCN1CCC(=O)N(CC1)CCO 1 -1.5e-002 2 2 0 -7.2523597772746 24816478 CCCC[C@H]1COCCS(=O)(=O)N1CC2=CC=CC=C2F 1 2.66 1 3 -6.47103995526301 24816477 CCC(C)[C@H]1COCCS(=O)(=O)N1CC2=CC=CC=C2F 1 2.523 1 3 -6.31281162398058 24816476 CCC1COCCS(=O)(=O)N1CC2=CC=C(C=C2)Cl 1 2.207 1 3 -2.33821346669918 24816475 C1CC(=O)N2CC[C@@H]3[C@H]2[C@H]1C[C@H](C3)OC(=O)NC4=CC=CC=C4 1 2.218 2 3 -9.03553922377899 24816474 CCC1COCCS(=O)(=O)N1CC2=CC=C(C=C2)C 1 2.029 1 3 -4.160212157286 24816473 CC1=CC=C(C=C1)N2C=C(N=N2)CCCCCCCCC(=O)O 1 4.94 3 2 -7.01496553431694 24816472 CCOC(C1=CN(N=N1)CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)OCC 1 4.004 3 3 -12.6150453901492 24816471 CC(C)C[C@@H](CO)N1CCN(CCC1=O)C 1 0.722 2 2 0 -4.21993797375533 24816470 C1CN(S(=O)(=O)CCOC1)CC2=CC=CC=C2 1 0.704 1 3 0 -2.95365404611346 24816469 CC(C)C[C@@H](CO)N1CCNCCC1=O 1 0.186 2 2 0 -10.1922313913599 24816468 C1CN(CCN(C1=O)CCO)CC2=CC=C(C=C2)O 1 0.454 2 3 0 -2.72903546271465 24816467 C1CNCCN(C1=O)[C@H](CO)C2=CC=CC=C2 1 0.189 2 2 0 -12.0272986356483 24816466 CCC[C@H]1COCCS(=O)(=O)N1CC2=CC=C(C=C2)Br 1 2.747 1 3 -3.77538484587076 24816465 CCCN1CCC(=O)N(CC1)CCN=[N+]=[N-] 1 1.287 5 1 0 -8.76933341799832 24816464 C1CN(S(=O)(=O)CCOC1)CC2=CC(=CC=C2)C(F)(F)F 1 1.646 1 3 0 0.962723589089764 24816463 C1C2CN3C4=CC=CC=C4N=C3C2N(C1C(=O)NCC5=CC=C(C=C5)OC(F)(F)F)CC6=CC=CC=C6 1 6.354 4 2 -3.35459796228346 24816462 CCCC[C@H]1COCCS(=O)(=O)N1CC2=CC(=CC=C2)Cl 1 3.119 1 3 -2.82172056810786 24816461 COC(=O)[C@H]1C[C@@H]1[C@@H](C2=CC=CC=C2)N.Cl Cl- 1 1.195 1 2 0 -4.50483928853622 24816460 CCC1COCCS(=O)(=O)N1CC2=CC=CC=C2 1 1.542 1 3 0 -4.9750270620656 24816459 CCC1COCCS(=O)(=O)N1CC2=CC=C(C=C2)F 1 1.748 1 3 0 -3.44833513182075 24816458 CCOC(=O)/C=C/1\CN(S(=O)(=O)C2=C1C=C(C=C2)C(F)(F)F)CC3=CC(=C(C(=C3)OC)OC)OC 1 3.809 1 7 0 -7.62988793078357e-002 24816457 CCC[C@H]1COCCS(=O)(=O)N1CC2=CC=CC=C2 1 1.998 1 3 0 -4.95553869613574 24816456 CC1=CC=CC=C1CN2CCCOCCS2(=O)=O 1 1.19 1 3 0 -3.72762997167442 24816455 CCC1COCCS(=O)(=O)N1CC2=CC(=CC=C2)C(F)(F)F 1 2.485 1 3 -1.05864942686237 24794347 CC1=C(C(=C(C=C1)F)CNC(=O)C2CCC(=O)N(C2)CC3=CC=CC=N3)F 1 2.318 3 2 -26.36568859439 24794346 CN1C=C(C=N1)CN2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4 1 2.032 4 2 -3.87742036567839 24794345 COC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=CC4=NC=CN=C4C=C3)OC 1 2.622 4 3 0 -12.464457100029 24794344 C1CC(=O)N(CC1C(=O)NCCN2CCNC2=O)CC3=CC=CC=C3F 1 0.191 4 3 0 -33.6228103469516 24794343 C1CN(CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5 1 2.851 4 3 0 -28.5777158505767 24794342 C1CC(CN(C1)C(=O)CCN2CCCO2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 2.359 4 2 -0.424989580528728 24794341 CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCC4=NN=C(O4)C5=NOC(=C5)C 1 3.217 4 3 0 -25.7357326576336 24794340 CC(=O)NC1=CC=C(C=C1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)CCC4=CC=CC=C4 1 2.694 5 2 0 -31.9848219174003 24794339 COC1=NC(=C(C=C1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4F)OC 1 3.602 4 3 0 -3.90348157583753 24794338 C1CC(=O)N(CC1C(=O)NCCC2=CNN=C2)CCC3=CC(=CC=C3)F 1 1.648 4 2 0 -20.9872178952546 24794337 CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N3CCNC(=O)C3 1 1.488 3 3 0 -18.1887278997609 24794336 COC1=CC(=C(C=C1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4)OC 1 3.056 4 3 0 -25.4000896571483 24794335 CC(C)CC(=O)NC1=CC=NN1C2CCN(CC2)C(=O)CCC3=CC(=CC=C3)OC 1 2.608 4 3 0 -38.0916914644697 24794334 CC(C)C1=NOC(=C1)CNC(=O)C2=NOC(=C2)COC3=CC(=CN=C3)Cl 1 2.607 4 4 0 -24.9160216138155 24794333 CC1=CC=C(S1)CNC(=O)C2CCC(=O)N(C2)CCC3=CC(=CC=C3)F 1 2.768 2 2 -15.387783570267 24794332 COCC1CCN(CC1)C(=O)C2CCC(=O)N(C2)CC3=CC(=CC=C3)C(F)(F)F 1 2.34 2 3 -14.1803403587947 24794331 CC1=CC=CC=C1CCNC(=O)C2CCC(=O)N(C2)CCC3=CC(=CC=C3)F 1 3.69 2 2 -19.7008176403942 24794330 CC1=NC(=CC=C1)CNC(=O)C2CCC(=O)N(C2)CC3=CC=CC=C3F 1 1.908 3 2 0 -23.4651258565536 24794329 CC1=C(C(=CC=C1)C)OCC2=CC(=NO2)C(=O)N3CCCCCCC3 1 4.573 2 3 -12.0369910842679 24794328 COC1=CC=C(C=C1)N2CCN(CC2)C3CCCN(C3)C(=O)CN4CCCC4=O 1 1.342 4 3 0 -13.5849859377781 24794327 CC1=CN2C=C(N=C2C=C1)C(=O)N3CCCC(C3)NC4=CC=C(C=C4)F 1 3.051 4 1 -9.04959501259256 24794326 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCOCC3)C 1 1.474 2 5 0 -18.2451247237314 24794325 COC(=O)CCCC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3 1 1.37 4 5 0 -44.5301298149087 24794324 CN(CCN1CCOCC1)C(=O)CC2C(=O)NCCN2CC3=CC(=CC(=C3)OC)OC 1 0.224 4 5 0 -35.6968023475885 24794323 C1CC(=O)N(CC1C(=O)N2CCC(CC2)C(=O)C3=CC=CC=C3)CC4=CC(=CC=C4)F 1 3.06 2 3 -15.1957863953851 24794322 CSC1=CC=C(C=C1)C(=O)N2CCC(CC2)CCC(=O)NCC3=CC=C(C=C3)F 1 3.956 2 2 -13.1574204000677 24794321 CC1=C(C=CC(=C1)CN2CCNC(=O)C2CC(=O)NCCC3=NC=CN=C3)OC 1 0.44 5 3 0 -37.5011116762197 24794320 CC1=NC=CN1CCCNC(=O)C2CCC(=O)N(C2)CC3=CC(=CC=C3)OC 1 0.821 4 3 0 -23.1986568550296 24794319 CC1(CC(C2=C(C1)N(N=C2)C3=CC=C(C=C3)OC)NC(=O)C4=CC=C(O4)OC)C 1 3.678 3 4 0 -13.2345128153137 24794318 CSC1=CC=CC=C1C(=O)N2CCCC(C2)CNC(=O)C3=CC=C(C=C3)F 1 3.403 2 2 -16.9575496645945 24794317 CC1=C(C=CC=N1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.049 5 2 0 -12.4366186318493 24794316 C1CC(CN(C1)C(=O)CSC2=CC=CC=N2)NC3=CC(=C(C=C3)F)F 1 3.384 3 1 -13.1963398177426 24794315 CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)NCC3COCCO3)C 1 2.123 2 5 0 -19.508695300119 24794314 C1CC(=O)N(CC1C(=O)NCCOC2=CN=CC=C2)CC3=CC=CC=C3F 1 1.459 3 3 0 -24.3229405039508 24794313 C1OC2=C(O1)C=C(C=C2)CC3=NN=C(O3)CCC(=O)NCCC4=CC=CC=C4Cl 1 3.185 3 4 0 -26.5370358647655 24794312 CCOC1=CC=C(C=C1)CN2CCNC(=O)C2CC(=O)NCC3CCOCC3 1 0.977 3 4 0 -36.3620379093811 24794311 CN1C=CN=C1CN(C)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)CCC4=CC=CC=C4 1 3.113 4 2 -3.36073701942267 24794310 CC1=CC(=CC=C1)NC(=O)CCC2CCN(CC2)C(=O)C3=CC=C(C=C3)OC 1 3.672 2 3 -9.41715870556762 24794309 C1CC(CN(C1)C(=O)C2CCOCC2)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.858 3 2 3.29791583032262 24794308 CCC1=CC=C(O1)CN2CCCC(C2)C(=O)NC3=CC=CC=C3C4=CC=C(C=C4)OC 1 4.791 2 3 10.6071871528365 24794307 C/C=C(\C)/CN1CCC(CC1)N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3 1 3.456 4 1 -30.9669755458884 24794306 CN(CC1=NC=CN=C1)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)OC)Cl 1 1.917 4 4 0 -15.3215430766525 24794305 CC(=O)NCC1CCN(CC1)C(=O)C2CCC(=O)N(C2)CCC3=CC(=CC=C3)F 1 1.248 3 3 0 -21.205436289647 24794304 C1=CC(=CC(=C1)Cl)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCCC4=CC=NC=C4 1 3.942 3 2 -7.91879505517259 24794303 COC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CN3CCOC3=O)OC 1 1.221 3 5 0 -26.7929210115985 24794302 COC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl 1 3.721 2 4 -4.22943468090899 24794301 COCC1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl 1 3.818 2 3 -5.40860406333761 24794300 CN(CCC1CCOCC1)C(=O)CC2C(=O)NCCN2CC3=CC(=CC=C3)OC 1 1.222 3 4 0 -33.6635570358214 24794299 COC1CCN(CC1)C(=O)C2=NOC(=C2)COC3=CC=C(C4=CC=CC=C43)OC 1 2.504 2 5 0 -10.6841530631145 24794298 CC1=CC(=CC=C1)CNC(=O)C2CCC(=O)N(C2)C3CC3 1 1.748 2 2 0 -19.2110027568528 24794297 CC1=NC=C(C=C1)C(=O)N2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC(=CC=C4)F 1 1.669 6 2 0 -34.6898842585839 24794296 CC1=C(OCCO1)C(=O)NC2CCCC3=C2C=NN3C4=C(C=C(C=C4)F)F 1 2.572 3 3 -13.7029559883538 24794295 COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCC(=O)N(C2)C3CCCCCC3 1 2.942 2 4 -23.5525085165052 24794294 CC(=O)C1=CC(=CS1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl 1 3.441 4 2 -27.2075746105162 24794293 CC(C)N1CCC(CC1)OC2=C(C=CC(=C2)C(=O)N(C)CC3=NOC=C3)OC 1 2.301 3 4 0 -14.3550561314791 24794292 CN1C=C(C=N1)CN2CCCC(C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4 1 2.354 5 2 0 0.827931820216363 24794291 CC1=C(C=C(C=C1)C(=O)N2CCCC(C2)NC3=CC=C(C=C3)OC)N4CCNC4=O 1 2.801 4 3 0 -17.725555887426 24794290 CC1(CC(C2=C(C1)N(N=C2)C3=CC=C(C=C3)F)NC(=O)C4=CC=CO4)C 1 3.792 3 2 -9.37238651450954 24794289 CCC1=C(C(=NN1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4C)C 1 4.159 5 1 0.97164694496396 24794288 C1CO[C@@]2([C@H]([C@@H](C[C@H](O2)CCO)O)O)C3=CC=CC=C31 1 0.167 0 5 0 0.599194791679678 24794287 C1CC2=CC=CC=C2[C@@]3([C@H]([C@@H](C[C@H](O3)CCO)O)O)OC1 1 0.623 0 5 0 -0.210782154011022 24794286 C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)NCCCN4C=CN=C4 1 2.577 3 2 -1.87651700810526 24794285 COC(=O)C1=CC2=C(C=C1)C(=CN2)CCO 1 1.695 1 3 0 -4.46558166449116 24794284 CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3)C#CC4=CC=C(C=C4)N 1 4.522 2 1 6.34045240459034 24794283 COC1=CC=C(C=C1)C2=C(C3=C(O2)C=CC=N3)C#CC4(CCCCC4)O 1 4.905 1 3 4.02225729061111 24794282 CC(=O)C1=CC=C(C=C1)OCC2=CC(=NO2)C(=O)NC3CCCCC3 1 3.164 2 4 -15.5270949316557 24794240 CC1=C(C(=NO1)C)CCC(=O)N2CCCC(C2)(CC3=CC=CC=C3)CO 1 2.525 2 3 -6.28820051710851 24794241 COC1=CC=C(C=C1)NC2CCCN(C2)C(=O)CCCN3CCCCC3=O 1 2.057 3 3 -22.9081579847664 24794242 CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)NCC3=CC=CC=N3 1 3.051 3 2 -10.1344945004265 24794243 CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)C4=CC=CC=N4 1 3.265 4 1 1.09542734497403 24794244 C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)C/C=C/C4=CC=C(C=C4)F 1 4.056 2 2 0.233910351345964 24794245 CCN(CC1=CC=NC=C1)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)OC)Cl 1 3.201 3 4 0 -15.5223112446519 24794246 CC1CN(CCN1C(=O)C2=NOC(=C2)COC3=C(C=CC=C3C)C)C4=CC=CC=C4 1 4.751 3 3 -11.0671504445214 24794247 CC1=NC=C(C=C1)C(=O)N2CCCC(C2)CCC(=O)NCC3=CC=CC=C3F 1 2.614 3 2 -24.7290447930313 24794248 CN1C(=NN=N1)SCCNC(=O)C2CCC(=O)N(C2)CC3=CC(=CC=C3)OC 1 0.798 6 3 0 -33.2133330196305 24794249 CN(CCC1=CC=CC=N1)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3 1 2.471 3 2 -16.7545986409665 24794281 CC1=CN=C(C=N1)CNC(=O)C2=NOC(=C2)COC3=CC=CC=C3SC 1 1.887 4 3 0 -24.3379139418171 24794280 CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CCN(CC3)CC4=CSC(=C4)C(=O)C 1 3.262 4 2 -29.5974980024825 24794279 COC1=CC=CC(=C1OC)CN2CCNC(=O)C2CC(=O)NCCCC3CCCC3 1 2.77 3 4 0 -35.7681267218559 24794278 CN1C=C(C2=CC=CC=C21)C(=O)N3CCCC(C3)NC4=CC=C(C=C4)OC 1 3.674 3 2 -8.76072808804751 24794277 C1CCN(C1)CC2=C(N=C3N2C=C(C=C3)Cl)C(=O)N4CCC5=CC=CC=C5C4 1 3.485 4 1 -14.2786468841344 24794276 CC1=CC(=NN1)CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)OC 1 3.601 4 2 8.4753888941913 24794275 CC(C)CC1=CC(=NN1)C(=O)N2CCCC(C2)(CC3=C(C=C(C=C3)F)F)CO 1 3.955 3 2 8.05168353203505 24794274 COC1=C(C=C(C=C1)C(=O)NC2CC2)OC3CCN(CC3)CC4=C(C=C(C=C4)F)F 1 3.6 2 3 -8.69529567865947 24794273 CC1=NC(=CC=C1)CC(C)NC(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)F 1 3.533 3 3 -15.422512702443 24794272 COC1=CC=C(C=C1)NC2CCCN(C2)C(=O)CCN3CC4=CC=CC=C4C3=O 1 2.441 3 3 -16.0885235565399 24794271 CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)NCC3=NC=CN3CC 1 2.622 4 2 -9.87430286440524 24794270 C1CN(CCC1C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)CC4=CC(=CC=C4)F 1 4.314 3 2 6.53034188722539 24794269 CC1=NN(C=C1CN(C)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=CC=N4)C 1 2.502 5 2 0 -4.05147927428219 24794268 CC1=CC(=CC=C1)CN2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCCC4 1 4.325 2 2 -2.60036912158615 24794267 CC1=C(OC=C1)C(=O)N2CCCCC2C(=O)NC3=CC=C(C=C3)N4C(=CC(=N4)C)C 1 3.469 4 3 0 -15.4486895965441 24794266 CCN(CC)C(=O)C1CCCN(C1)C(=O)C2=NOC(=C2)COC3=CC4=C(C=C3)N=CC=C4 1 2.676 4 4 0 -15.1919582048796 24794265 CC1=NC=C(C=N1)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4 1 1.739 5 1 0 10.1732526598602 24794264 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)OC(=N3)CCCC4=CC=CC=C4 1 3.85 3 4 0 -4.31474452965815 24794263 C1COCCC1CNC(=O)CC2C(=O)NCCN2CC(C3=CC=CC=C3)C4=CC=CC=C4 1 2.317 3 3 -43.1859689083817 24794262 CC1=NC=C(C=C1)OCC2=CC(=NO2)C(=O)N3CCCCC3CCOC 1 1.781 3 4 0 -16.2160931132811 24794261 CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N3CCCCC3CC(=O)OCC 1 3.859 2 4 -11.9190476018321 24794260 CCCN1CCN(CC1)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)F 1 3.012 3 3 -8.17489378823145 24794259 COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)OC 1 3.428 1 4 -4.91878621223116 24794258 C1CC1NC(=O)C2CCN(CC2)C3CCN(CC3)C(=O)C4=C(C=CC=C4Cl)F 1 2.394 3 2 -7.16313688688815 24794257 C1CN(CC1C2=CC=CC=C2F)C(=O)CCN3C(=NN=N3)CN4CCOCC4 1 0.626 6 2 0 -26.7478034678614 24794256 CN1C=C(C=N1)CNC(=O)C2CCC(=O)N(C2)CC3=CC=CC=C3F 1 1.211 4 2 0 -21.6924759890373 24794255 CC1=C(C2=C(C=C1)C(=C(O2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C)C)C 1 4.666 2 3 9.14397964095683 24794254 CC(C1=NOC=C1)N(C)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)COC 1 1.071 3 5 0 -13.3318999176896 24794253 COC1=C(C=CC(=C1)Cl)OCC2=CC(=NO2)C(=O)NC3CCC4=CC=CC=C34 1 4.356 2 4 -14.4773097046879 24794252 CCN(CCN1C=CC=N1)C(=O)C2=NOC(=C2)COC3=CC(=C(C=C3)F)F 1 2.83 4 3 0 -16.9029932289328 24794251 CCC1C(=O)NCCN1C(=O)C2=NOC(=C2)COC3=C(C=CC(=C3)C)C 1 2.63 3 4 0 -25.4655417692136 24794250 C1CC(CN(C1)C(=O)C2=CC=NC=C2)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.556 4 1 2.36153905085764 24794239 CCN(CCN1C=CC=N1)C(=O)CC2C(=O)NCCN2CCC3=CC=CC=C3 1 1.399 5 2 0 -36.0778735044587 24794238 C=CCCC(=O)N1CCC(CC1)CCC(=O)NC2CC2 1 1.639 2 2 0 -17.7200214214416 24794237 CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N3CCC[C@H]3CO 1 2.56 2 3 -5.16293403448861 24794236 CC1=C(C2=C(C=C1)C(=C(O2)C(=O)N(CC3CCCO3)CC4=CC=NC=C4)C)C 1 4.089 2 3 -0.553177141636932 24794235 CC(C)N1C=C(C=N1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4 1 2.465 6 1 0 -23.4780715589887 24794234 C1CC(CN(C1)C(=O)C2=CSC=N2)C(=O)NC3=CC=CC(=C3)C4=CC=C(C=C4)F 1 3.243 3 2 2.69713919613411 24794233 C1CN(CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)F)CC4CCOC4 1 3.269 2 2 8.83330228714754 24794232 CN(C1CCOC1)C(=O)C2=NOC(=C2)COC3=C(C=CC=C3F)F 1 1.961 2 4 0 -14.3278745495904 24794231 CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)NC(C)C3=CN(N=C3)C 1 3.014 4 2 -8.37429356121246 24794230 CC1=C(C=C(C=C1)F)CNC(=O)C2CCC(=O)N(C2)C3CC3 1 1.954 2 2 0 -20.0284500995798 24794229 CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N3CCCC3 1 3.07 2 2 -5.15404923749713 24794228 CC1(CC(CC(N1)(C)C)N(C)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)Cl)OC)C 1 3.159 3 4 0 -16.4912850083402 24794227 COC1=CC=C(O1)C(=O)N2CCCC(C2)CNC(=O)C3=CC=CC=C3Cl 1 2.824 2 4 -15.6393304164756 24794226 C1CC(=O)N(CC1C(=O)NCCOC2=CC=C(C=C2)F)CCCN3CCOCC3 1 0.915 3 4 0 -24.8925463886868 24794225 COC1=C(C=CC=N1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.538 4 2 1.12310740451422 24794224 CN1C=C(C=N1)CN(C)C(=O)C2CCC(=O)N(C2)CC3=CC=C(C=C3)Cl 1 1.876 4 2 0 -17.5231766606779 24794223 CN(CCC1CCOCC1)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)OC)Cl 1 3.227 2 5 0 -13.6335128518425 24794222 CC1=C(OC2=C1C=CC=C2F)C(=O)N(C)CCC3=CN(N=C3)C 1 3.085 3 2 7.53572421077313 24794221 CN1C=C(C=N1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4 1 2.68 6 1 0 -28.3122189471468 24794220 C1COC(CO1)CNC(=O)C2=NOC(=C2)COC3=C(C=CC=C3F)F 1 1.562 2 5 0 -22.2917657276985 24794219 CCCC1=CC2=C(C=C1)OC(=C2C)C(=O)N(C)CC3=NC=CN=C3 1 3.221 3 2 6.14916116679361 24794218 C1CCC(CC1)NC(=O)CC2C(=O)NCCN2CC3=CC=CC=C3C(F)(F)F 1 3.025 3 2 -33.0235715361058 24794217 COC(C1=CC=CC=C1)C2=NN=C(O2)CCC(=O)N3CCN(CC3)C4CCCC4 1 2.169 4 3 0 -25.3544953584091 24794216 CC1=C(C(=NO1)C)CCC(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4OC 1 2.858 4 3 0 -11.9373875841284 24794215 COC1=CC=CC(=C1)NC(=O)CCC2CCN(CC2)C(=O)CC3=CC(=CC=C3)F 1 3.426 2 3 -12.5714756180579 24794214 CC1=C(N=C(S1)C)C(C)NC(=O)C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=CC=N4 1 2.925 4 2 -9.61068903119101 24794213 CN(CC1=CC=CC=C1Cl)C(=O)C2CCC(=O)N(C2)CCC3=CC(=CC=C3)F 1 3.753 2 2 -15.4687441006873 24794212 CCCOC1CCCN(C1)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)CCOC 1 1.814 2 5 0 -14.8996562511056 24794211 COC1=CC=CC(=C1O)CN2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4 1 3.105 3 4 0 -6.68692506325142 24794210 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)CCOC 1 1.259 2 6 0 -18.1561076360827 24794209 CC1=C(C=CO1)C(=O)N2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC 1 1.656 4 4 0 -34.7683619837849 24794208 CN(CC1CCOCC1)C(=O)CC2C(=O)NCCN2CC3=CC(=CC=C3)F 1 1.056 3 3 0 -29.0480747779664 24794207 CCOC1=CC=C(C=C1)CN2CCNC(=O)C2CC(=O)NCCC3=NC4=C(CCC4)C(=N3)C 1 1.845 5 3 0 -38.3854559686655 24794206 CN(CC1=NC2=CC=CC=C2N1)C(=O)C3CCC(=O)N(C3)C4CCCC4 1 2.089 4 2 -20.2387809388616 24794205 C/C=C(\C)/CN1CCC(CC1)N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3 1 3.048 4 2 -29.8180836445695 24794204 CC1=CC=CC(=C1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.403 4 2 -9.40912807151022 24794203 C1CC1N2CC(CCC2=O)C(=O)NCC3=CC=C(C=C3)Cl 1 1.926 2 2 0 -18.3443057331047 24794202 C1CC(CN(C1)C(=O)CCC2=CC=NC=C2)NC3=CC(=C(C=C3)F)F 1 2.942 3 1 -9.36938957364048 24794201 C1CN(CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CSC=C4 1 3.048 4 1 6.47599055163929 24794200 COC1=CC=C(C=C1)CCN2CC(CCC2=O)C(=O)NCCC3=CNN=C3 1 1.426 4 3 0 -23.2718862864172 24794199 CC1=CC=C(C=C1)CN2CCNC(=O)C2CC(=O)N(C)CC3=NC=CN=C3 1 0.414 5 2 0 -35.4680584599385 24794198 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=NOC(=C3)COC4=C(C=C(C=C4)F)F 1 2.459 3 5 0 -9.72768742805176 24794197 COCC1CCCCN1C(=O)C2=CC=C(C=C2)OC3CCN(CC3)CCC4=CC=CC=C4 1 4.058 2 3 -5.7388297997107 24794196 CC1=C(C(=NN1)C)CCNC(=O)C2CCC(=O)N(C2)CCC3=CC(=CC=C3)F 1 2.076 4 2 -18.3874199350206 24794195 C1CCC(C1)C(=O)NC2=CC=NN2C3CCN(CC3)CC4=CC=CC=C4F 1 3.294 4 1 -25.2068131305942 24794194 CC1=CC(=NN1CCCN2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)OC)C 1 4.002 4 2 3.80044458254687 24794193 CC1=C(C=CC(=C1)CN2CCNC(=O)C2CC(=O)NCC(C)(C)N3CCOCC3)OC 1 1.104 4 4 0 -36.8403729156935 24794192 CN(CC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=CC=C(S3)Cl 1 3.868 2 1 -5.0556262204776 24794191 COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CCN(CC3)C(=O)C4=NSN=C4 1 1.198 6 3 0 -38.3985259483909 24794190 CC(=O)N1CCC(CC1)OC2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3F)OC 1 2.485 2 4 -17.9160907311052 24794189 CCN1C=C(C(=N1)C)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4 1 2.37 6 1 0 -27.3038786535139 24794188 C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=C(C=C4)C(F)(F)F 1 4.781 2 2 0.165219507787277 24794187 CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)CC4=C(ON=C4C)C 1 2.905 4 2 -9.21695182504378 24794186 CC1=CC=CC=C1OC2CCN(CC2)C(=O)C3=NOC(=C3)COC4=CC=C(C=C4)C(=O)C 1 3.602 2 5 0 -13.543584287412 24794185 CCCCC1=NC=C(N1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl 1 3.553 6 1 0 -27.4098967990653 24794184 CC1=CSC(=N1)CN(C)C(=O)CC2C(=O)NCCN2CC3=C(C=C(C=C3)OC)OC 1 0.913 4 4 0 -35.6742090406428 24794183 CC1=NOC(=C1)CN(C)C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC=CC=C4F 1 3.333 3 3 -11.6897319543246 24794182 C1CCC(C1)CCCNC(=O)C2CCC(=O)N(C2)CC3=CC=C(C=C3)Cl 1 4.014 2 2 -18.8942962169338 24794181 C1CN(C(C(=O)N1)CC(=O)NCC2=NOC=C2)CC3=C(C=C(C=C3)F)Cl 1 1.348 4 3 0 -36.029830819218 24794180 CC(C)CC1=NC(=NC(=C1)C(=O)N2CCCC(C2)NC3=CC=C(C=C3)OC)N 1 3.256 5 2 0 -11.9284737773399 24794179 CC1=CSC(=N1)CNC(=O)C2=CC=C(C=C2)OC3CCN(CC3)CCC4=CC=CC=C4 1 3.552 3 2 -6.34026757648707 24794178 COC1=C(C=C(C=C1)C(=O)NC2CC2)OC3CCN(CC3)CC4=CC(=C(C=C4)F)F 1 3.6 2 3 -8.36138948715159 24794177 COCCN1CCN(CC1)C(=O)C2CCC(=O)N(C2)CC3=CC=CC=C3OC 1 0.788 3 4 0 -19.4575018793853 24794176 CCN1C=C(C=N1)CN2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCCC4 1 2.837 4 2 -7.17916374415166 24794175 CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)C(=O)C3=CC4=NC=CN=C4C=C3 1 3.189 3 3 1.43278981884987 24794174 CCOC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)N(C)CCC3=CN(N=C3)C 1 1.318 5 3 0 -34.791977615161 24794173 C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)Cl 1 3.687 1 4 -0.478325089514576 24794172 CC1=CC(=CC(=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CCN4CCCC4=O)C 1 2.811 4 2 -13.7306246506091 24794171 CC1=CC=C(C=C1)N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)CCC4=CN(N=C4)C 1 3.819 5 1 -15.0274921616653 24794170 CSC1=CC=CC=C1C(=O)N2CCC(CC2)CCC(=O)NCC3=CC=C(C=C3)F 1 3.956 2 2 -21.5477657797512 24794169 CC1(CC(CCO1)NC(=O)C2=CC=C(C=C2)OC3CCN(CC3)S(=O)(=O)N(C)C)C 1 0.197 3 5 0 -28.1477172849162 24794168 CC1=NC2=C(S1)C=CC(=C2)OCC3=CC(=NO3)C(=O)NC(C)C4=CN(N=C4)C 1 2.521 5 3 0 -15.2624200021131 24794167 CC1CCN(CC1)CC2=NN=NN2CCCC(=O)NCC(C)(C)N3CCOCC3 1 0.614 7 2 0 -38.4398390017366 24794166 CSC1=CC=CC(=C1)NC(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4 1 3.414 4 2 -14.9826783424682 24794165 CC(=O)N1CCC(CC1)C(=O)NC2CCCC3=C2C=NN3C4=CC(=CC(=C4)F)F 1 2.366 4 2 -1.5686505741933 24794164 COCC1CCN(CC1)C(=O)C2CCC(=O)N(C2)CC3CCCCC3 1 2.003 2 3 -18.25072842803 24794163 CCN(CC1=CC=NC=C1)C(=O)C2=NOC(=C2)COC3=CC(=C(C=C3)C)C 1 3.525 3 3 -15.1760385346218 24794162 COC1=CC=C(C=C1)C(=O)NC2=CC=NN2C3CCN(CC3)C(=O)C4=CN=CC=C4 1 1.256 5 3 0 -35.8315245785345 24794161 CC1=CC=C(C=C1)CNC(=O)C2CCC(=O)N(C2)CCC3=CC=C(C=C3)Cl 1 3.828 2 2 -18.0557726701739 24794160 CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4=NC=CN=C4)C 1 2.833 5 1 -6.3057716438292 24794159 CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CC4=C(ON=C4C)C)C 1 3.623 4 2 -14.4224977600147 24794158 C1CCC(CC1)N2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4 1 3.358 4 1 -28.3667498982663 24794157 C=CCC1(CCCN1C(=O)C2CCC(=O)N(C2)CCC3=CC=C(C=C3)Cl)CC=C 1 4.186 2 2 -17.2513315866522 24794156 C1CC(CN(C1)C(=O)C2=CSC=C2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 4.106 3 1 5.90932383787375 24794155 COC1=CC=CC=C1CN2CC(CCC2=O)C(=O)NCC3=CC(=CC(=C3)F)C(F)(F)F 1 3.487 2 3 -20.024841457008 24794154 COC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)NC3CCC4=CC=CC=C34)Cl 1 4.356 2 4 -12.7028613669965 24794153 COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3O2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-] 1 5.26 1 6 0 0.180249113025753 24794152 COC1=C(C=C(C=C1)CCC(=O)N2CCCC(C2)NC3=CC=CC=C3)OC 1 3.649 2 3 -13.5087274747722 24794151 COC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)C3=CC=CC=C3Cl 1 3.903 1 3 -5.64474591192205 24794150 CCN1C=CN=C1CN(C)C(=O)C2=NOC(=C2)COC3=CC=CC=C3SC 1 2.532 4 3 0 -19.5297332875755 24794149 CC(C)C1=NC(=CS1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 4.44 4 1 0.940864863456964 24794148 CC(C)C1=CC(=NN1)C(=O)N2CCCC(C2)NC3=CC=C(C=C3)F 1 3.543 4 1 -6.40297832900873 24794147 CC(=O)N1CCC(CC1)OC2=C(C=CC(=C2)C(=O)NC3CCCCCC3)OC 1 2.69 2 4 -16.3483177982682 24794146 COC1=CC=C(C=C1)CCN2CC(CCC2=O)C(=O)NC3CCOCC3 1 0.918 2 4 0 -19.9281044810832 24794145 CC(C)N(CC1=NC=CN1C)C(=O)C2=NOC(=C2)COC3=CC=CC(=C3)C(F)(F)F 1 3.31 4 3 0 -7.6365913643559 24794144 COC1=C(C=C(C=C1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC(=CC=C4)F)O 1 3.03 4 3 0 -22.0536044889591 24794143 CCN1C(=C(C(=N1)C)CNC(=O)C2=NOC(=C2)COC3=CN=C(C=C3)C)C 1 1.708 5 3 0 -20.0760068130841 24794142 COC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCOC4 1 0.778 4 4 0 -40.2880100403876 24794141 C1CCN(CC1)CCNC(=O)C2=NOC(=C2)COC3=C(C=CC=C3F)F 1 3.032 3 3 -15.959974921199 24794140 CN1C=CN=C1CN(C)C(=O)C2CCC(=O)N(C2)CC3=CC(=CC=C3)C(F)(F)F 1 1.79 4 2 0 -16.2883680131794 24794139 CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CCN4CC5=CC=CC=C5C4=O)C 1 3.973 4 2 -11.439253551028 24794138 CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCCC(C2)NC3=CC(=C(C=C3)C)C)C 1 4.384 3 3 -15.6674564777729 24794137 CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)N(C)CC3CCOCC3)C 1 3.163 2 4 -10.9133303527304 24794136 C1CN(CCC1N2C(=CC=N2)NC(=O)C3=CN=CC=C3)CC4=C(C=CC(=C4)Cl)O 1 2.355 5 2 0 -21.3951410843795 24794135 CC(C)(CNC(=O)C1=NOC(=C1)COC2=C(C=C(C=C2)OC)Cl)N3CCOCC3 1 2.622 3 5 0 -16.6124884395109 24794134 CC1=CC(=NO1)C(=O)NC2CCCN(C2)CC3=CC=C(C=C3)Cl 1 2.942 3 2 -4.67368452524894 24794133 CC(CCSC)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)N3CCCC3 1 2.853 2 2 -12.3096928607255 24794132 CCCN1C(=C(C=N1)C(=O)NC2CCCN(C2)CC3=CC=C(C=C3)Cl)C 1 3.582 4 1 -1.05167281947989 24794131 CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 2.065 5 3 0 -13.3454748838551 24794130 CC1(CC(C2=C(C1)N(N=C2)C3=CC=C(C=C3)F)NC(=O)CCN4CCCCO4)C 1 2.892 4 2 -18.1499104482956 24794129 CN1C=C(C=N1)CCNC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC=CC=C4F 1 3.283 4 2 -11.4841072844409 24794128 CC1=C(SC=C1)C(=O)N2CCCCC2C(=O)NC3=CC=C(C=C3)N4C(=CC(=N4)C)C 1 4.027 4 2 -16.6343899227649 24794127 C1CN(CCC1OC2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3)CC4=CC=C(O4)CO 1 1.804 3 4 0 -10.3170745630948 24794126 C=CCN1C2=C(C=C(C=C2)C#CC3(CCCCC3)O)C(=O)C4=CC=CC=C41 1 5.477 1 2 -1.48160431040564 24794125 CC1=CC(=C(C=C1)C)OCC2=CC(=NO2)C(=O)NC3CCOC(C3)(C)C 1 2.961 2 4 -15.5445665820438 24794124 CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)CCN3C=NC=N3 1 1.862 4 2 0 -8.32788142507958 24794123 CN(CC1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl 1 4.041 3 2 -6.61850950338018 24794122 CC1=C(OC2=C1C=CC=C2F)C(=O)NCCN3CCOC3=O 1 2.184 2 4 -4.35184342305552 24794121 C1CC(CN(C1)C(=O)CCC2=CC=NC=C2)NC3=CC=C(C=C3)F 1 2.736 3 1 -8.75311982419649 24794120 CC1=NN(C(=C1CN2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4)Cl)C 1 2.774 4 2 -4.63614048846917 24794119 C1CN(CC(=O)N1)C(=O)CC2C(=O)NCCN2CC3=CC=CC=C3C(F)(F)F 1 0.252 4 3 0 -36.6576849952346 24794118 CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4=CC=C(O4)OC)C 1 4.209 3 3 -5.76119999617308 24794117 COC1CCN(CC1)C(=O)C2=NOC(=C2)COC3=CC=C(C=C3)N4C=NC=N4 1 1.155 5 4 0 -15.839810372553 24794116 CSC1=CC=C(C=C1)CN2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4 1 3.924 2 2 -0.870961924907123 24794115 CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4=NNC(=O)CC4 1 2.825 5 2 0 -12.1216607136561 24794114 CC1=NC=CN1CCNC(=O)C2=NOC(=C2)COC3=CC=CC=C3SC 1 2.11 4 3 0 -19.7676166063636 24794113 CC1=NC(=CC=C1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4C 1 2.916 5 1 -31.2180642898047 24794112 CC(=O)N1CCC(CC1)OC2=C(C=CC(=C2)C(=O)N3CCCCCC3)OC 1 1.955 2 4 0 -13.7941970501556 24794111 C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl)C(=O)N 1 3.003 3 3 -5.24394166776105 24794110 COC1=CC=CC(=C1)CN2CCNC(=O)C2CC(=O)NCCCN3CCCC3=O 1 -7.5e-002 4 4 0 -47.4564687706241 24794109 CC1=CC=CC(=N1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.267 4 1 0.251215143132145 24794108 CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CCN4CCCCC4=O 1 3.695 4 2 -11.515417099373 24794107 COCC1=CC=C(O1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4 1 3.094 4 3 0 -31.3993530685207 24794106 CC1=C(C(=C(C=C1)F)CNC(=O)C2CCC(=O)N(C2)CC3=CC=CC=C3OC)F 1 3.237 2 3 -25.9544031817164 24794105 CC(C)/C=C/CN1CCC(CC1)OC2=CC=C(C=C2)C(=O)N3CCCC3 1 3.526 2 2 -4.06671198625573 24794104 CCCC1=NN(C(=C1)C(=O)N2CCCC(C2)C(=O)C3=CC(=C(C(=C3)C)OC)C)C 1 4.558 3 3 -9.83961867941994 24794103 C1CC(CN(C1)C(=O)C2=CC=CC=C2C3=NC=CN3)NC4=CC=C(C=C4)F 1 3.208 4 1 -13.3599969652864 24794102 C1CC(CN(C1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)N4CCCC4=O 1 3.496 3 2 -10.4115901818188 24794101 CC1=C(C(=NN1C)C)CCC(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.276 5 1 0.513025664686912 24794100 CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CCC4=CN=CC=C4)C 1 4.046 4 1 -9.83343298368654 24794099 CC(C)N1C=C(C=N1)CN2CCCC(C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4 1 3.081 5 2 0 0.979632994142121 24794098 COC1=CC=CC(=C1)CN2CC(CCC2=O)C(=O)NCCOC3=CC=CC=C3F 1 2.594 2 4 -20.7600287455587 24794097 C1CCON(C1)CCC(=O)N2CCCC(C2)NC3=CC=C(C=C3)F 1 1.891 3 2 0 -15.3956865570833 24794096 CC1=C(SC=C1)C(=O)N2CCCC(C2)N(C)CCC3=CC(=C(C=C3)OC)OC 1 4.183 2 3 -14.9755169195649 24794095 C1CC(=O)N(CC1C(=O)NCCOC2=CC=CC=C2)CCN3CCOCC3 1 0.647 3 4 0 -26.6023475579538 24794094 CN(CCCN1CCOCC1)C(=O)CC2C(=O)NCCN2CC3=CC(=CC(=C3)OC)OC 1 0.287 4 5 0 -35.439985710144 24794093 CC1=C(C(=CC=C1)C)OCC2=CC(=NO2)C(=O)N(C)CC3=CC(=NN3)C4CC4 1 3.889 4 3 0 -16.3606761757245 24794092 CC1=CC(=C(O1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)F)C 1 3.734 3 2 5.37461964879801 24794091 C1CC(C1)N2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4 1 2.445 4 1 -28.0777306109962 24794090 C1CN(CCC1CO)CC2=C(N=C3N2C=C(C=C3)Cl)C(=O)N4CCC5=CC=CC=C5C4 1 3.035 4 2 -11.530593537474 24794089 CC1=NC=C(C=C1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.049 5 2 0 -14.3828575714256 24794088 CC(C)C1=NOC(=C1)CNC(=O)C2CCC(=O)N(C2)CCC3=CC=C(C=C3)Cl 1 3.285 3 3 -26.6575032695167 24794087 C1CC(=O)N(CC1C(=O)NCC2=CC=CC=C2OC(F)(F)F)CC3=CC(=CC=C3)F 1 4.681 2 3 -20.1994617277184 24794086 COC1=CC=CC(=C1)C(=O)N2CCC(CC2)N3C(=CC=N3)NC(=O)C(C4=CC=CC=C4)OC 1 2.198 4 4 0 -47.814094030885 24794085 C1CC(=O)N(CC1C(=O)N(CCO)CC2=CC=CC=C2)CCCN3CCOCC3 1 0.328 3 4 0 -24.4803901999276 24794084 CC1=C(C(=NO1)C)C(=O)N2CCCC(C2)NC3=CC=C(C=C3)C(C)C 1 3.267 3 2 -14.1090017164515 24794083 CC1=CC=C(C=C1)OCCN(C)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)F 1 4.301 2 4 -10.2034303653268 24794082 C1CN(CCC1N2C(=CC=N2)NC(=O)C3CCOC3)C(=O)C4=CC=C(C=C4)F 1 1 4 3 0 -39.1631668057782 24794081 CC1=CC=CC(=C1)C(=O)N2CCC(CC2)N3CCC(CC3)C(=O)N4CCOCC4 1 1.414 3 3 0 -6.22163803503924 24794080 COCCC1=NC2=C(O1)C=C(C=C2)C(=O)N3CCCC(C3)CCCO 1 1.938 2 4 0 -8.82039153802596 24794079 CCC1=CC=C(C=C1)CN(C)C(=O)C2CCC(=O)N(C2)CCCN3CCCC3=O 1 1.637 3 3 0 -28.6469747578327 24794078 CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)N3CCN(CC3)C4CCCCC4)C 1 4.559 3 3 -7.16180269260538 24794077 CC1(CC(CC(N1)(C)C)N(C)C(=O)CC2C(=O)NCCN2CC3=C(C(=CC=C3)F)F)C 1 1.582 4 2 0 -33.3793037933317 24794076 C1CCC(CC1)CN2CC(CCC2=O)C(=O)NCCN3C=CC=N3 1 1.676 4 2 0 -24.3203654334421 24794075 CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)CN3CCC(CC3)C(=O)N4CCOCC4 1 1.515 3 5 0 7.02097823628367 24794074 CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)C3=CC(=CC=C3)N4CCCC4=O 1 3.987 2 3 -7.79405421662188 24794073 CC1=CC2=C(C=CN=C2C=C1)C(=O)N3CCCC(C3)N4CCN(CC4)C5=CC=C(C=C5)F 1 4.379 4 1 3.67392507400082 24794072 CC1=C(C(=NN1C)C)CCC(=O)N2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C 1 3.534 3 3 -6.96430908276605 24794071 CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)COC4=CC=C(C=C4)C(=O)C 1 3.563 3 3 -1.54551643150442 24794070 CC1=NN(C=C1C(C)NC(=O)C2=NOC(=C2)COC3=CC4=C(C=C3)SC(=N4)C)C 1 2.803 5 3 0 -18.3965973746959 24794069 C1C[C@H]2C[C@H]1CN2C(=O)C3=NOC(=C3)COC4=C(C=CC=C4F)F 1 3.036 2 3 -9.41556638874577 24794068 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCC(=O)N(C3)C4CC4)C 1 2.486 3 2 -11.0940478591568 24794067 COCCN1CC(CC1=O)CNC(=O)C2=NOC(=C2)COC3=CC=CC=C3SC 1 1.269 3 5 0 -27.3520389837348 24794066 C1COCCN1C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)F 1 1.87 2 4 0 -11.7792415266332 24794065 C[C@H](C1=CC=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)OC(=N3)C(C)C 1 3.898 2 3 -9.18573389258377 24794064 COC(=O)C1CCCCN1C(=O)C2=NOC(=C2)COC3=CC=CC4=C3N=CC=C4 1 2.717 3 5 0 -18.3838427797572 24794063 CC1=C(C(=CC=C1)C)OCC2=CC(=NO2)C(=O)NCCC3=C(C=C(C=C3)OC)OC 1 4.41 2 5 0 -17.6477525038058 24794062 CCN1C=C(C=N1)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F 1 3.883 4 1 8.78019184616334 24794061 CN(CC1=CC=CC=C1OC)C(=O)C2CCC(=O)N(C2)CCC3=CC=C(C=C3)OC 1 2.85 2 4 -20.0633991901618 24794060 CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)C(=O)CCC3=CN(N=C3)C 1 3.106 3 3 -7.58827533829298 24794059 CC(C)N1C=C(C=N1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4 1 2.494 6 1 0 -26.9153167432089 24794058 CC1=CC=CC=C1CN2CCC(CC2)N3CCC(CC3)C(=O)NCC4CCCO4 1 2.539 3 2 -6.04571828140995 24794057 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.39 6 5 0 -13.5047912813451 24794056 CCN1C(=C(C(=N1)C)CNC(=O)C2CCC(=O)N(C2)CC3=CC(=CC=C3)F)C 1 1.988 4 2 0 -21.4004418735664 24794055 CC1(CC(C2=C(C1)N(N=C2)C3=CC=C(C=C3)F)NC(=O)C4=NNC(=O)CC4)C 1 2.088 5 2 0 -23.3490876939876 24794054 C1CN(CCC1O)CC2=C(N=C3N2C=C(C=C3)Cl)C(=O)N4CCC5=CC=CC=C5C4 1 2.457 4 2 -13.6658944302623 24794053 COCC1=CC=C(S1)C(=O)N2CCCC(C2)NC3=CC(=C(C=C3)F)F 1 3.437 2 2 -10.119475080912 24794052 CCCC1=CC2=C(C=C1)OC(=C2C)C(=O)NCCN3CCCC(C3)O 1 3.606 2 3 9.20780709591012 24794051 C1CC(C2=C(C1)N(N=C2)C3=CC(=CC(=C3)F)F)NC(=O)CN4CCCC4=O 1 2.001 4 2 -13.5380458498258 24794050 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CC(C1=NC=CS1)N(C)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)CCC4=CC=CC=C4 1 3.959 3 2 -3.07463301469157 24794038 CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)CCC4=CC=CC=C4 1 2.46 3 3 -4.71742817345433 24794037 CC1=CC(=CC(=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4=CSN=N4)C 1 3.679 5 1 -7.92097894748501 24794036 CC(=O)C1=CC=C(C=C1)OCC2=CC(=NO2)C(=O)N3CC[C@@H]4CCCC[C@H]4C3 1 3.54 2 4 -12.8979671256614 24794035 CC1=C(C(=NO1)C)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 3.326 4 2 0.763169914420936 24794034 COC1=CC=C(C=C1)OCC(=O)N2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4 1 1.336 4 4 0 -36.1782267734856 24794033 COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C(=O)C3=CC(=CC=C3)N4CCCC4=O)OC 1 2.804 2 5 0 -17.6115941836199 24794032 CC1=C(C=NN1C)C(C)NC(=O)C2=NOC(=C2)COC3=CC=CC(=C3)OC 1 2.305 4 4 0 -15.7079968411533 24794031 CN(CC1CCOCC1)C(=O)CC2C(=O)NCCN2CC3=CC(=C(C=C3)OC)OC 1 0.817 3 5 0 -35.3308578974979 24794030 CCN1C=CN=C1CN(C)C(=O)C2=NOC(=C2)COC3=CC=C(C=C3)N4C=NC=N4 1 1.532 7 3 0 -16.8847677500547 24794029 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CC1=CSC(=N1)CN(C)C(=O)CC2C(=O)NCCN2CC3=CC(=C(C=C3)F)F 1 1.357 4 2 0 -33.2359094468415 24793839 COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CCN(CC3)C/C=C/C4=CC=CC=C4 1 3.534 4 2 -24.9742132666151 24793838 CC1=NON=C1CC(=O)NC2CC(CC3=C2C=NN3C4=CC=C(C=C4)OC)(C)C 1 2.725 5 3 0 -18.5056975883817 24793837 CCCC1=CC(=NO1)C(=O)NC2CCCN(C2)CC3=CC=CC=C3F 1 3.606 3 2 -5.00934869223707 24793836 CC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)NCCN3CCCCC3=O 1 0.821 4 3 0 -45.9503728701108 24793835 COC1=CC(=C(C=C1)F)CN2CCCC(C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.394 3 3 -6.05390761930918 24793834 CC1=CN=C(C=N1)CNC(=O)CC2C(=O)NCCN2CC3=CC=CC=C3F 1 0.21 5 2 0 -39.5729236603356 24793833 C1CN(CCC1C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)CC4=CC=CC=C4 1 3.57 3 2 2.87857341180902 24793832 COC1=CC=CC(=C1)CN2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCCC4 1 3.822 2 3 -3.9969901538927 24793831 C1CCC(C1)C(=O)NC2=CC=NN2C3CCN(CC3)CC4=CC(=CC=C4)OCCO 1 2.533 4 3 0 -23.8937650778847 24793830 CC1CC(CN(C1)C(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)C 1 1.062 3 3 0 -21.268405767225 24793829 C1CN(CCC1N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3)CC4=NC=CN4 1 1.654 6 1 0 -32.2229234705948 24793828 COC1=C(C=CC=N1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.079 4 2 -2.4702164930309 24793827 CC1=CC=CC=C1N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)C4=CC(=O)CC(O4)(C)C 1 3.562 3 3 -26.9932263642014 24793826 C1CSCCN1C(=O)C2=NOC(=C2)COC3=CC=CC(=C3)C(F)(F)F 1 3.146 2 3 -6.62971897602684 24793825 CC1=C(C(=NN1C)C)CN(C(C)C)C(=O)C2CCC(=O)N(C2)C3CCCCCC3 1 3.097 4 2 -19.3253802938639 24793824 CN1C2=CC=CC=C2N=C1CNC(=O)C3CCC(=O)N(C3)CC4=CC=CC=C4OC 1 2.254 4 3 0 -20.9325626656821 24793823 CC1=C(N=C(S1)C)C(C)NC(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)COC 1 1.273 3 4 0 -17.0673658927657 24793822 CCC(C1=CC=NC=C1)NC(=O)C2=NOC(=C2)COC3=CC(=CN=C3)Cl 1 2.413 4 3 0 -16.900946673985 24793821 CCN1C(=CC(=N1)C)C(=O)N2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.754 5 3 0 -6.65809232825845 24793820 CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)CN3CCOC3=O 1 1.86 2 4 0 -12.0455597275345 24793819 CC(=O)C1=CC=C(C=C1)OCC2=CC(=NO2)C(=O)N(C)CC3=NOC=C3 1 1.764 3 5 0 -16.504978210718 24793818 C1CC(CN(C1)C(=O)CCC2=CC(=CC=C2)Cl)NC3=CC=CC=C3 1 4.346 2 1 -6.768496458264 24793817 C[C@H]1C(=O)N(CCN1C(=O)CCC2=NN=C(O2)CC3=CNC4=CC=CC=C43)CC(C)C 1 2.107 5 3 0 -31.1535992338528 24793816 COC1=CC(=C(C=C1)OC)C(=O)N2CCC(CC2)CCC(=O)NC3CC3 1 2.082 2 4 -18.9115994841954 24793815 CN1C(=CC=N1)C(=O)N2CCCC(C2)C(=O)C3=CC(=C(C=C3)OC)OC 1 2.163 3 4 0 -12.4502685515848 24793814 COC1=CC=CC=C1OCC(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.526 3 3 -2.00256848499371 24793813 CC1=C(C2=C(C=C1)C(=C(O2)C(=O)NCC3=NC(=CS3)C)C)C 1 3.606 2 2 6.07496725375965 24793812 CCN1C=C(C=N1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4C 1 2.986 5 1 -2.46026182173648 24793811 CCN1C(=C(C=N1)CN2CCCC(C2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4)C 1 4.542 5 1 13.4484860721707 24793810 CC(C)N1C=C(C=N1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4 1 3.406 6 1 0 -28.1605177732211 24793809 C1CN(CCC1O)C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl 1 2.826 2 3 -4.6776118278616 24793808 CC1=NC=C(C=C1)C(=O)N2CCCC(C2)C(=O)C3=C(C=C(C=C3)Cl)C 1 3.537 2 2 -0.749161799997007 24793807 COCCCC1CCN(CC1)C(=O)C2CCC(=O)N(C2)CCC3=CC=CC=C3 1 2.564 2 3 -21.2293547896578 24793806 CC1=NON=C1C2CCCN2C(=O)C3=NOC(=C3)COC4=CC=CC=C4SC 1 2.795 4 4 0 -23.2724190474692 24793805 CC1=CC2=C(C=C1)OC(=C2C)C(=O)NCCC3CCCCO3 1 3.482 1 3 0.686383950400065 24793804 C1CC(C1)NC(=O)CC2C(=O)NCCN2CC3=CC(=C(C=C3)Cl)F 1 2.041 3 2 -30.9600521353513 24793803 CC1=NOC(=C1)CNC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC=C(C=C4)OC 1 2.905 3 4 0 -14.679271221984 24793802 CC1=C(OC2=C1C=CC=C2F)C(=O)N3CCCC(C3)CNC(=O)C 1 2.278 2 3 -0.169809257526074 24793801 C1CN(C(C(=O)N1)CC(=O)NCCN2CCOCC2)CC3=CC=CC=C3C(F)(F)F 1 0.994 4 3 0 -36.7146383709189 24793800 CC1=CC(=C2C(=C1)C(=C(O2)C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4)C)Cl 1 2.94 2 4 4.25328420626233 24793799 CC1=CC=CC=C1N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)CCC4=CN5C=CC=CC5=N4 1 3.916 5 1 -24.9389761366663 24793798 CC(C)C1=NC(=NO1)CNC(=O)C2CCC(=O)N(C2)CC3=CC=C(C=C3)Cl 1 2.069 4 3 0 -22.61301923051 24793797 CC1=C(C(=CC=C1)C)OCC2=CC(=NO2)C(=O)NC3CCC3 1 3.484 2 3 -13.4244019261705 24793796 CC(C1=CC=CC=N1)N(C)C(=O)C2=NOC(=C2)COC3=CC=CC=C3SC 1 3.445 3 3 -16.1282483277707 24793795 COC1=CC=C(C=C1)C(=O)NC2=CC=NN2C3CCN(CC3)CC4CCC=CC4 1 3.227 4 2 -24.6806520817913 24793794 CC1=CC(=C(C(=C1)C)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCCCC4)C 1 5.099 2 2 -8.09047145340143 24793793 CCOC1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCN(CC4)C(=O)OCC 1 2.477 3 5 0 -10.9527683748057 24793792 COC1=CC=CC=C1NC(=O)N2CCCC(C2)CNC(=O)C3=CC=CC=C3Cl 1 3.212 3 3 -15.9016858408986 24793791 CC1=CC=C(C=C1)CN(C)C(=O)C2CCC(=O)N(C2)C3CCCCCC3 1 3.779 2 2 -19.2089184255138 24793790 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C3CCCCC3)C(=O)N4CCN(CC4)C(=O)OCC 1 2.473 4 6 0 -11.5201486818206 24793789 CCN(CC)CCCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC=C(C=C4)C(C)C)C(=O)NC5CCCCC5 1 3.255 4 4 0 -2.37398094343512 24793788 C1CCN(CC1)CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-] 1 2.511 5 4 0 -12.7396850948849 24793787 C1COCCN1CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 1.981 5 5 0 -12.8233037882582 24793786 COC1=CC(=C(C=C1)OC)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-] 1 4.433 4 6 0 -6.63537544147958 24793785 CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NC3CCCC3)[N+](=O)[O-])C 1 3.829 4 4 0 -11.9142062224513 24793784 CCC1CCCCN1CCN2C(C34C=CC(O3)C(C4C2=O)C(=O)NC5=CC=C(C=C5)OC)C(=O)NC6CCCCC6 1 3.102 4 5 0 -3.14943703111288 24793783 C1CCN(C1)CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-] 1 2.838 5 4 0 -11.5268888082795 24793782 C1=CC=C(C=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NCC3=CC=CC=N3)[N+](=O)[O-] 1 2.103 5 4 0 -12.2038415500318 24793780 CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC(=C(C=C3)OC)OCC)C4=CC=CC=C4.[Cl-] Cl- 1 6.368 3 2 -1.86092346225063 24793779 CC1=C(C=C(C(=C1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-])C(=O)C4=CC=CC=C4)Cl 1 6.338 4 6 0 -3.55195256148007 24793778 CC1=CC(=C(C=C1)C)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-] 1 4.756 4 5 0 -2.0360468350432 24793777 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl 1 3.9 3 4 0 -10.004257046528 24793776 CC1=CC=CC(=N1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl 1 3.692 4 2 -4.4192110087906 24793775 CC1=CC=CC(=N1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl 1 3.692 4 2 -7.90915080319333 24793774 CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CC(=O)N4CCCCC4C3=O 1 2.438 3 3 -13.1519721582566 24793773 C1=CC(=CC=C1CNC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br)F 1 1.228 4 3 0 -17.2143958618218 24793772 CC(CC(=O)NC1=CC=C(C=C1)C2=CC=NO2)N3C=CC=N3 1 2.005 4 2 -5.80455439895416 24793771 CC1CCCCC1NCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=C(C=C3)OC)OC 1 3.244 4 6 0 -19.4914595760265 24793770 C1COCCN1S(=O)(=O)C2=CN(C=N2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 2.023 4 5 0 -11.6213660786464 24793769 CC1=CC=C(C=C1)/C=C/2\C(=O)NC3=C(S2)C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.993 4 2 -3.91042850188298 24793768 CC(C)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 2.33 3 5 0 -15.6081879103081 24793767 C1CCN(CC1)S(=O)(=O)C2=CN(C=N2)CC(=O)NC3=CC=C(C=C3)C#N 1 1.011 5 3 0 -14.9803251544136 24793766 CC1=CC(=NN1C(C)CC(=O)NC2=CC3=C(C=C2)OCCO3)C 1 1.955 3 3 0 -11.5657897928076 24793765 CCOC(=O)C1CCCN(C1)C(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 0.456 4 5 0 -18.2819907695949 24793764 C[C@@H]1CCC(=O)N(CC1)CC[C@@H](C2=CC=CC=C2)OC3=CC=CC=C3 1 4.306 1 2 -13.0865586523917 24793763 C[C@H]1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CSC3=CC=CC=C3 1 5.123 1 1 -8.24566490765711 24793762 C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)CO)CCC3=CC=CC=C3 1 2.951 2 2 0.303012180274627 24793761 C1CS(=O)(=O)N([C@H]2[C@@H](O1)CC3=CC=CC=C23)CC4=CC=CC=C4F 1 2.562 1 3 -3.09641902030347 24793721 C1=CC(=CC=C1CCNC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br)Cl 1 2.008 4 3 0 -15.0228528910962 24793722 CCC1=CC=CC=C1NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 1.958 4 3 0 -14.8639982445608 24793723 CC1CCCC(C1C)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br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l 1 2.526 1 3 1.6609085320234 24793755 COC1=CC2=C(C=C1)NC3=C2[C@@H]4CCN5[C@@H]4[C@@H](C3)CCCC5=O 1 2.713 2 2 -2.36699514582654 24793754 CC(C)[C@H]1COCCS(=O)(=O)N1CC2=CC=C(C=C2)Cl 1 2.526 1 3 1.48528602837373 24793753 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NCCC3=CC=CC(=C3)C 1 2.218 3 4 0 -21.6607035404328 24793752 C1COCCN1CCCN(CC2=CC=CS2)C(=S)NCC(=O)NCC3=CC=CC=C3Cl 1 3.713 4 2 -17.4979873233226 24793751 C[C@@H]1CCC(=O)N(CC1)CC[C@@H](C2=CC=CC=C2)SC3=CC=C(C=C3)C 1 5.35 1 1 -12.7084871334082 24793750 CN1CCC(=O)N(CC1)[C@H](CO)C2=CC=CC=C2 1 0.725 2 2 0 -6.05500521804368 24793749 C1CCC(CC1)CN2C=C(N=N2)C3=CC=CC=C3 1 4.148 3 0 -6.61389347099324 24793748 COC1=CC=C(C=C1)CNC(=O)C[C@@H]2[C@H](CN(C2=O)CCC3=CC=CC=C3)CC4=CC=CC=C4 1 4.333 2 3 -11.3937866645021 24793747 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=CC=C(C=C4)C 1 3.696 4 2 -6.8053654966052 24793746 CCOC(=O)C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)NC(=O)C4=CC=C(C=C4)F 1 2.933 4 4 0 -11.3152976034624 24793745 CCOC(=O)N1CCN(CC1)C(=O)CCS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl 1 0.533 3 7 0 -13.6615113276775 24793744 CN1C2=CC(=C(C=C2N(C1=O)C)N3CCOCC3)NC(=O)C4=C(C=CC=C4OC)OC 1 1.706 4 5 0 -13.9658642321296 24793743 CC1=NN2C(=O)C=C(N=C2S1)CSC3=CC=CC=C3NC(=O)C4=CC(=C(C=C4)OC)OC 1 3.607 4 4 0 -23.4043271429853 24793742 CC1=CC=C(C=C1)CCN[C@H](CC2=CC=CC3=CC=CC=C32)CN[C@@H](CC4=CC=CC=C4)CNC 1 6.155 3 0 4.93301804239039 24793741 CC[C@@H](C)[C@H](CN[C@H](CNC)[C@@H](C)O)NCCC1=CC=C(C=C1)OC 1 2.421 3 2 -4.92744114334213 24793740 CCOCCCNC(=O)C1=CC(=C(C=C1)N2CC3CC(C2)C4=CC=CC(=O)N4C3)NC(=O)NC5=CC(=CC=C5)OC 1 2.035 5 5 0 -19.6964443165624 24793739 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NCCCN(CC4=CC=CC=C4)C(C)C 1 2.682 4 5 0 -27.0537045053981 24793738 CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C)C 1 2.059 4 6 0 -12.837963879283 24793737 CCOC(=O)N1CCN(CC1)C(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N(C)C4CCCCC4)C 1 2.125 4 6 0 -13.0729319395789 24793736 CC1CCN(CC1)C(=O)CCC(=O)NNC2=NC3=CC=CC=C3C4=NC(=NN42)C 1 1.115 7 2 0 -17.1134318852677 24793735 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=CC=CC=C4OC 1 3.193 4 3 0 -8.57167185314894 24793734 CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2C4CCCN4C5=NC(=CS5)C 1 5.758 4 0 1.23591452436681 24793733 C1CS(=O)(=O)N([C@H]2[C@@H](O1)CC3=CC=CC=C23)CC4=CC=C(C=C4)F 1 2.562 1 3 -0.564430804907152 24793732 CC1=NOC(=C1Cl)C(=O)NCC2CCCO2 1 1.089 2 3 0 -8.68469261963646 24793731 CCC1=CC(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 2.078 3 5 0 -15.1821403286372 24793730 CCOC1=CC=CC=C1CNC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 1.475 3 6 0 -24.1387045630027 24793729 CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C)OS(=O)(=O)C4=CC=CC=C4 1 4.084 4 7 0 -23.109042349566 24793720 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 1.22 4 5 0 -17.166103479594 24793719 C1CCC(CC1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 1.297 4 3 0 -16.1354648171246 24793718 C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)NC4=C(N=CC=C4)Cl 1 3.837 2 2 -2.80449292509544 24793717 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)C4=C(C=CC=C4OC3)C 1 3.439 2 4 -5.05516275334436 24793716 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)S(=O)(=O)C)OC 1 4.221 4 7 0 -24.8905639277962 24793715 CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.503 4 5 0 -11.2951875719348 24793714 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C)OC 1 4.221 4 7 0 -21.3199174382827 24793713 CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCCC5 1 4.733 4 2 -7.03689694953119 24793712 CCCC1=CC(=NO1)C(=O)NC2=CC=C(C=C2)C#N 1 2.644 3 2 -9.7465245547887 24793711 CC1=CC(=C(C=C1)NC(=O)CCN2C3=CC=CC=C3N4C=CC=C4C2=O)C 1 4.015 3 2 -12.0867782253503 24793710 CC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 1.622 3 5 0 -15.8916476069598 24793709 CC1=CC(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 1.622 3 5 0 -14.1438399578523 24793708 CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=CC=CC=C3OC2=O)NC4CCCCC4 1 4.127 2 4 -6.42644057023635 24793707 CCOC1=CC=CC=C1NC(=O)C2CCN(CC2)C3=NC(=NO3)C4=CC=C(C=C4)OC 1 2.876 4 4 0 -7.34385106785107e-002 24793706 COCCCNC(=O)CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=CC=C4F 1 2.343 4 5 0 -15.5311518911183 24793705 CN1C2=C(C=C(C=C2)OC)C=C1C(=O)NN/C=C\3/C4=CC=CC=C4C=C(C3=O)C(=O)O 1 2.421 3 5 0 -1.58698664642169 24793704 CC1CCC2=C(C1)C(=C3C=C(C=CC3=N2)S(=O)(=O)N4CCC(CC4)C(=O)NCC(OC)OC)C(=O)O 1 2.153 3 7 0 -27.1351100247279 24793703 CC1=CC(=NN1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.785 5 3 0 -6.4689668334726 24793702 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCC(=O)NCC4=CC=C(C=C4)OC(C)C)C 1 3.441 5 3 0 -13.9953236724398 24793701 CCOCCCN(C)C1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.909 4 6 0 -9.27000339284537 24793700 CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC=CC=C3OC 1 3.937 3 3 -11.0471396497127 24793699 CC1=CC=C(O1)C=NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 3.673 3 3 -8.74978750889573 24793698 C1=CC(=CN=C1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 2.523 4 2 -6.02915124860504 24793697 C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)Cl)C(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 2.198 4 5 0 -4.81377910101199 24793696 COC1=CC=CC(=C1)C(=O)/C=C\2/C(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCN(CC4)C5CCCCC5 1 3.441 4 4 0 -9.901907008071 24793695 CN1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.475 4 5 0 -1.01158532517416 24793694 CC1=CC=CC=C1NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 1.622 3 5 0 -18.4563403829521 24793693 COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)NN(C2=O)C3=CC(=C(C=C3)Cl)Cl 1 3.216 3 6 0 -3.31259031958095 24793692 CS(=O)(=O)C1=NN2C(=N)/C(=C\C3=CC=C(C=C3)OCCOC4=CC=CC=C4)/C(=O)N=C2S1 1 4.232 4 5 0 -17.1446963966763 24793691 CCCN(C1=CC=CC(=C1)C)C(=O)C2=CC3=C(C=C2)C(=C4CCCC4=N3)SCC(=O)O 1 5.453 2 3 -9.51666255897119 24793690 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=NC4CS(=O)(=O)CC4S3 1 2.822 3 4 0 -11.9233780295724 24793689 CC(CC(=O)N1CCC2=CC=CC=C21)N3C=CC=N3 1 2.022 3 1 -10.7267764220082 24793688 C/C(=C\1/C=CC(=O)C=C1O)/NNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4 1 2.209 3 3 -9.29397245942715 24793687 CC1CCC(CC1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 1.564 2 5 0 -19.8925065952808 24793686 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-] 1 3.59 5 4 0 -10.6798431547941 24793685 C1=CC(=CC(=C1)F)CNC(=O)CCN2C3=C(C=CC(=C3)F)N4C=CC=C4C2=O 1 3.46 3 2 -13.1849964045571 24793684 CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N(CCC(=O)OC)C3=CC=CC=C3 1 3.511 2 5 0 -13.724217519223 24793683 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)NC4CC3(OC5=C4C=C(C=C5)Cl)C 1 3.066 4 5 0 -8.36830938640752 24793682 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=CC=C(C=C4)F 1 3.415 4 2 -6.09348847113995 24793681 CCOC1=CC=CC=C1C(=O)NC2=C(C=C3C(=C2)N(C(=O)N3C)C)N4CCC(CC4)C(=O)OCC 1 3.06 4 5 0 -13.7339333261922 24793680 CCCC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NC4=C(C(=C(C(=C4F)F)F)F)F 1 4.48 5 2 0 -5.23894295894693 24793679 CCOC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O 1 3.32 3 3 -14.8372253593631 24793678 CC1=CC=C(C=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NS(=O)(=O)C3=CC=CC=C3 1 3.067 3 4 0 -4.946878419243 24793677 CCOC1=CC=C(C=C1)NC(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.233 4 4 0 -19.367581210304 24793676 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F 1 3.183 4 4 0 -14.4763579624662 24793675 CCN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCN3CCOCC3)\NC(=O)C4=CC=CC=C4OC 1 2.715 4 4 0 -20.8015517608956 24793674 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC=C(N2CC3=CC=C(C=C3)OC)CO 1 1.804 4 4 0 -18.3559655448014 24793673 CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCOCC4)Cl 1 3.62 3 2 -2.62069177747769 24793672 CC1=C(C(=O)N(C2=C1C(=NN2C3=CC=CC=C3)C)C)CCC(=O)NCC4CCCO4 1 2.556 4 3 0 -18.7520670163633 24793671 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-] 1 3.197 3 4 0 -4.26473839944173 24793670 CCC1=CC=CC=C1NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 2.013 3 4 0 -20.1897264420187 24793669 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)NCCC3=CC=C(C=C3)Cl 1 2.019 3 4 0 -22.6594898165098 24793668 COC1=C(C=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=NC=C2)OC 1 0.559 4 4 0 -17.4517045518224 24793667 COC1=CC=C(C=C1)C=NNC(=O)CNC(=O)/C=C/C2=CC=CC=C2OC 1 2.178 3 4 0 -12.1555638532252 24793666 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)N(C)C3CCCCC3 1 1.891 3 4 0 -19.9391768085555 24793665 CC1=CC(=NN1C(C)CC(=O)NC2=CC=C(C=C2)C3=CC=NO3)C 1 2.434 4 2 -6.54301292033046 24793664 CCC1CCCCN1CCCNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4CNC5=CC=C(C=C5)OCC 1 4.766 7 2 0 -9.89171602977523 24793663 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SC4=C(C=CC(=C4C(=N3)C)C)C 1 4.238 3 3 -10.8571425630083 24793662 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)S/C(=C/C4=CC=C(C=C4)C)/C(=O)N3 1 3.651 2 4 -10.2436493961962 24793661 CCOC(=O)N1CCC(CC1)NC(=O)CS(=O)(=O)CC2=C(OC(=N2)C3=CC=CC=C3Cl)C 1 1.632 3 6 0 1.0471786471101 24793660 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)S/C(=C/C4=CC(=CC=C4)C)/C(=O)N3 1 3.184 3 4 0 -6.30713851633088 24793659 CCOC1=CC=C(C=C1)CCNC(=O)CCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 3.452 3 4 0 -28.6166749405614 24793658 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C=C3C(=C2)N(C(=O)N3C)C)N4CCCC4 1 3.509 4 5 0 -16.4951515232031 24793657 C1COCCN1C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)F)F 1 2.881 3 2 -4.28133173771884 24793656 CC1CCN(CC1)CCCNC(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.694 5 3 0 -22.5681517487496 24793655 CCN1CCN(CC1)C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 -0.164 5 3 0 -19.2829999469126 24793654 CCOC(=O)C1CCN(CC1)C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.206 4 5 0 -23.6083216730713 24793653 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=C(C=C4)F 1 3.764 3 3 -7.91579060152073 24793652 COC1=CC=CC(=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4C(=O)NC5CCCCC5)CCCN6CCCCC6)O3 1 2.263 4 5 0 -2.18200951123269 24793651 CC1=CC(=C(C=C1)C)NC(=O)NNC(=O)C2=CC3=C(N2)C=CO3 1 2.732 4 3 0 -6.43459677953579 24793650 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCN(CC3)C4=CC=CC=C4)OC1=O 1 1.6 4 5 0 -8.15725557007107 24793649 COC1=CC=CC=C1C2=NN=C(O2)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 2.521 4 6 0 -17.132419804468 24793648 CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=O)C2=CC=CC=C2OC 1 1.651 3 5 0 -12.731833051751 24793647 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(C3)C)C(=O)C4CC4 1 1.692 3 5 0 -26.5715415671711 24793646 COC1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC=C(S2)Br 1 1.97 2 4 0 -16.8718196761234 24793645 C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NC3=CC(=CC=C3)Cl 1 1.541 3 3 0 -14.436330442078 24793644 COC1=C(C=C(C=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)OC 1 0.844 3 5 0 -22.4179242212916 24793643 CC1=C(C=C(C=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4C(=O)NC5CCCCC5)CCCN6CCCC6)O3)Cl 1 2.974 4 4 0 -1.69389284286749 24793642 CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)OC 1 1.993 3 6 0 -16.6322587121513 24793641 C1CCN(CC1)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)S/C(=C\C5=CC=CC=C5)/C(=O)N4 1 3.517 3 2 -4.68374324688161 24793640 CCCN(CCC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=C/C(=C\C3=CC=CO3)/C 1 3.105 9 3 0 -27.4599300154508 24793639 CC(=NNC(=O)CNC(=O)C1=CC=NC=C1)C2=CC=C(C=C2)OC 1 0.556 4 3 0 -14.6545692611015 24793638 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=C5OC)OC 1 2.816 5 6 0 -11.9689611059837 24793637 COC1=CC=CC=C1CNC(=O)OCC2=NC=CN=C2C(=O)NC3=NC=C(C=C3)Br 1 2.431 5 4 0 -13.5067531151493 24793636 CCOC(=O)CC1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC3=C(N2)C=CS3 1 2.557 4 4 0 -7.79282723507888 24793635 CC1=NN2C(=N1)C3=CC=CC=C3N=C2NNC(=O)CCC(=O)NCCN4CCN(CC4)C5=CC=CC=C5F 1 1.713 9 2 0 -10.7383897066693 24793634 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4 1 2.731 3 4 0 -17.0623353772958 24793633 CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)NCCC(=O)NC4=CC=C(C=C4)OC 1 2.145 3 5 0 -21.3269736278313 24793632 COC1=CC=CC=C1N2C=CN=C2SCC(=O)NCC3CCCO3 1 1.985 3 3 0 -19.3994316608749 24793631 CCCN1CCN(CC1)CCCNC(=O)CCN2C(=O)COC3=CC=CC=C32 1 1.164 4 3 0 -14.3708410455286 24793630 COC1=C(C=C(C=C1)CCNC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)Cl)OC 1 3.55 4 6 0 -20.4569084241139 24793629 CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)C3=NC=NC4=C3N=C5N4CCCCC5 1 1.711 7 3 0 -8.0771084831316 24793628 C1COC2=C(O1)C=CC(=C2)C(=O)NCC(=O)NN=C(CCC(=O)O)C3=CC=CC=C3 1 1.354 3 6 0 -20.2554008296814 24793627 C1C(OC2=CC=CC=C2O1)C(=O)NCC(=O)NNC=C3C=C(C(=O)C(=C3)Br)Br 1 0.745 3 5 0 -4.88249706214182 24793626 CCS(=O)(=O)C1=NN2C(=N)/C(=C\C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)OC)/C(=O)N=C2S1 1 4.084 4 7 0 -29.1210541423752 24793625 C1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C(F)(F)F 1 2.217 6 1 0 -4.00356489322123 24793624 CCN(CC1=CC=CC=C1)C(=O)CCC2=NC(=NO2)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.16 6 5 0 -21.7181950318385 24793623 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CS2 1 1.616 2 5 0 -17.9181732332748 24793622 CSC1=NSC2=NC(=O)/C(=C\C3=CC=C(C=C3)OC(=O)C4=CC=CO4)/C(=N)N21 1 4.459 4 4 0 -14.8107910156996 24793621 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3CCCCCC3 1 2.142 3 4 0 -21.9951463238769 24793620 CC(=NNC(=O)CNC(=O)C1COC2=CC=CC=C2O1)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.39 4 6 0 -12.4553332130708 24793619 C1=CC(=CN=C1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl 1 2.981 4 2 -4.91902958348347 24793618 CC(=O)NC1=NN=C(S1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 1.271 6 5 0 -13.4799407709019 24793617 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C(=O)OCC 1 1.146 3 6 0 -24.8072981298577 24793616 COC1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CNCC3=CC=CC=N3)OC 1 1.714 5 6 0 -15.1060568019861 24793615 CC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=NON=C3C)C#N)C 1 3.211 5 2 0 -15.022161085309 24793614 CC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC(=O)NC4=CC(=CC=C4)OC 1 3.873 5 2 0 -13.1648163690496 24793613 CCN(C1=C(C=CC(=C1)OC)OC)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 3.509 3 4 0 -15.1312028017547 24793612 CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=CC(=NN3C(=N2)C)C4=CC=CC=C4 1 1.446 6 4 0 -5.86879638805804 24793611 C1CC(=O)N(CC[C@H]1NC(=O)OCC2=CC=CC=C2)[C@@H](CC3=CC=CC=C3)CSC4=CC=CC=C4 1 5.469 2 3 -9.59694390396525 24793610 C1CC(=O)N(CC[C@H]1O)[C@H](CC#N)CC2=CC=CC=C2 1 1.298 2 2 0 -5.79826954473663 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CCCCC[C@H]1CN(C(=O)[C@@H]1CC(=O)NCC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC 1 4.332 2 4 -13.1028455926584 24793589 COC1=CC=C(C=C1)CN2C[C@@H]([C@H](C2=O)CC(=O)NC3=CC=CC=C3)CC4=CC=CC=C4 1 4.005 2 3 -3.93402267563131 24793588 CC(C)C1=CC2=C(C=C1)NC3=C2[C@@H]4CCN5[C@@H]4[C@@H](C3)CCCC5=O 1 3.924 2 1 -1.86307674623594 24793587 C1CS(=O)(=O)N([C@H](CO1)C2=CC=CC=C2)CC3=CC=CC=C3 1 2.253 1 3 -1.31718448083014 24793586 COC1=CC=C(C=C1)C2=CN(N=N2)CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4 1 4.93 3 2 -9.06046383053891 24793585 C1C[C@@H]2CC3=C([C@H]4[C@@H]2N(CC4)C(=O)C1)C5=C(C=CC(=C5N3)Cl)Cl 1 4.058 2 1 -0.97870028442671 24793584 CCCCCC1=CC=C(C=C1)C2=CN(N=N2)CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4 1 7.258 3 1 -10.3735979112144 24793583 CCCC[C@H]1COCCS(=O)(=O)N1CC2=CC=C(C=C2)C 1 2.941 1 3 -4.81934176234435 24793582 COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCOCC4 1 2.548 4 3 0 -6.44067311659793 24793581 CC(C)C(C(=O)NC1=CC=C(C=C1)NC(=O)C)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.953 5 4 0 -21.2819448006402 24793580 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)N3CCN(C(C3)C)C4=CC=CC(=C4)C 1 2.816 4 4 0 -24.4688037478287 24793579 CC1=C(C=C(C=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)F 1 1.568 3 3 0 -15.3443981462685 24793578 CC1CN(CC(O1)C)C(=S)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.797 2 4 -11.625461807131 24793577 CCN1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-] 1 2.638 6 4 0 -3.8321493139247 24793576 CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])N=C1CC 1 4.131 5 3 0 -5.43274103040527 24793575 CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3 4 6 0 -12.2714065206131 24793574 CC1=C(C(=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCOCC4)C 1 3.442 3 2 -3.44530219974893 24793573 COC1=CC=C(C=C1)CNC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4 1 1.837 3 5 0 -26.0203639264512 24793572 CC(CCC1=CC=CC=C1)NC(=O)CCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.035 2 5 0 -22.7319288452634 24793571 CCC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC=C(C=C3)NC(=O)C 1 1.717 3 5 0 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-19.7491158977728 24793559 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C 1 3.156 3 4 0 -13.3097762756976 24793558 C1CC(OC1)CN2CC3=CC=CC(=C3C2=O)C(=O)NC4=CC=C(C=C4)Cl 1 2.805 2 3 -11.4563010892018 24793557 CC1=C(C=CC(=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCCCC4)Br 1 4.875 2 2 -7.79218736148075 24793556 CC1=C(C(=CC=C1)C)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCCCC4 1 4.612 2 2 -9.50865012568789 24793555 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCN(CC4)C(=O)OCC 1 1.959 4 6 0 -20.0084488648582 24793554 CC1=CC=CC(=C1)/C=C\2/C(=O)N(C3=C(S2)C=CC(=C3)C(=O)NCC4CCCO4)C 1 3.334 2 3 -12.3463341124811 24793553 CCC1=CC=C(C=C1)CNC(=O)CCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 3.741 3 3 -28.6851772054609 24793552 COC1=CC(=C(C=C1)OC)CCNC(=O)CCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 3.087 3 5 0 -30.571741281505 24793551 CC(C)NC(=O)CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3 1 1.941 3 3 0 -32.1278231107981 24793550 CCOC(=O)C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)NC(=O)C4=CC=CC=C4F 1 2.933 4 4 0 -13.465020020924 24793549 CC/C=C/CC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H](C4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O 1 2.981 1 14 0 -19.4805702386934 24793548 CCN1C(=C([C@@H](N=C1NCC2=CC=CO2)C3=CC(=CC=C3)F)C(=O)OC)C 1 2.851 3 3 -7.15341685978491 24793547 CCN1[C@@H]([C@H]([C@@H](NC1=S)CCC2=CC=CC=C2)C(=O)OC)C 1 3.994 2 2 -5.76923817375311 24793546 C1CN(CCC12CC(=NO2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)NCC5=CC=CC=C5)[N+](=O)[O-] 1 3.935 4 4 0 -9.92721686011205 24793545 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N=CN2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4 1 3.181 5 6 0 -19.0239740021385 24793544 C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC(C)(C)C 1 3.306 4 6 0 -18.6234416883477 24793543 CC(C)(C)OC(=O)CNC(=O)C1=C(NC=N1)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 1.326 5 4 0 -15.6026431709185 24793542 CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C 1 2.529 5 6 0 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-38.382633645658 24793437 CC1=CC(=C2C(=C1)C(=C(O2)C(=O)N(C)CCCN3CCOCC3)C)Cl 1 3.364 2 3 10.6782347502582 24793436 COCC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCCCC3CCCC3 1 2.706 2 4 -15.9387230194691 24793435 CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3CCCCC3)C 1 4.625 2 1 -8.14605538190073 24793434 CC1=C(OC=N1)C(=O)NC2CC(CC3=C2C=NN3C4=CC=CC=C4)(C)C 1 2.663 4 2 -19.792361027064 24793433 CCCCCC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H](C4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)OC6C(C(C(CO6)O)O)O)(C(=O)[C@@H](C(=C2C)C3(C)C)O)C)OC(=O)C7=CC=CC=C7)O)O 1 1.811 1 17 0 -28.4430482808207 24793432 CCOC(=O)C1CCCN(C1)C(=O)C2=NOC(=C2)COC3=CN=C(C=C3)C 1 1.714 3 5 0 -18.3734808647374 24793431 C1CC(CN(C1)C(=O)C2=CC3=NC=CN=C3C=C2)N4CCN(CC4)C5=CC=C(C=C5)F 1 3.171 5 1 4.02078854338826 24793430 C1CC(CN(C1)CCNC(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)Cl)O 1 2.524 3 4 0 -10.9995490859853 24793429 COC1=C(C=C(C=C1)C(=O)NC2CC2)OC3CCN(CC3)CC4=CC=C(C=C4)C#C 1 4.316 2 3 -6.19709645151665 24793428 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-19.3622977556535 24793417 CC(C)[C@H]1CN(CCN1C(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)COC)C 1 1.512 3 4 0 -6.47727259566137 24793416 CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)N=C1CN4CCN(CC4)C(=O)OCC 1 2.555 5 4 0 -5.29909184053829 24793415 CC(=NNC(=O)CNC(=O)/C=C/C1=CC=CC=C1OC)C2=CC=CO2 1 1.57 3 4 0 -10.9698879049599 24793414 CCC1=CC=C(C=C1)NC(=O)CS(=O)CC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.362 3 3 -0.986301940860916 24793413 CC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)N(C(=N3)CN4CCN(CC4)C(=O)C)C.Cl Cl- 1 2.141 5 3 0 -3.36872665298891 24793412 COC1=C(C=C(C=C1)C(=O)NC2CC2)OC3CCN(CC3)CC4=CC=CC=C4O 1 2.947 2 4 -6.7113623999754 24793411 COC1=CC(=C(C=C1)CN2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4)F 1 3.553 3 3 -8.04358987134205 24793410 CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=CC4=C(C=C3)N=C(C(=N4)C)C)C 1 4.192 4 1 -9.40941447205472 24793409 CC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)NCCN3CCCC(C3)O)OC 1 2.124 3 5 0 -14.7375241190211 24793408 COC1=CC=CC(=C1)CN2CCNC(=O)C2CC(=O)NCCN3CCCCC3=O 1 0.318 4 4 0 -45.0217006231115 24793407 CCC1=NOC(=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC3CCN(CC3)C(C)C 1 2.907 3 4 0 -25.4370967896226 24793406 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4=CC=C(C=C4)C(=O)OC)C 1 4.561 3 3 -2.44303287352351 24793405 CCOC(=O)C1(CCCN(C1)C(=O)C2=C(OC=C2)C)CC3=CC(=CC=C3)Cl 1 3.874 1 4 1.24557294606928 24793404 COC1=CC=C(C=C1)CCN2CC(CCC2=O)C(=O)NCCN3CCOC3=O 1 0.937 3 5 0 -28.7743022872768 24793403 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCCC3 1 1.789 3 4 0 -17.7720240045033 24793402 CC1=CC(=CC=C1)NC(=O)N2CCC(CC2)NC(=O)C3CCCCC3 1 2.929 3 2 -5.26847105665631 24793401 C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NCC3=CC=C(C=C3)F)C(=O)C4=CSN=N4 1 3.211 5 2 0 -18.5645466094511 24793400 CC1=CC=C(O1)C(C(=O)NC2CCCCC2)N(C3=CC=CC=C3F)C(=O)C4=CSN=N4 1 4.177 4 3 0 -17.8606673846078 24793399 CC(C(=O)NC1CCCC1)OC(=O)CN2C3=CC=CC=C3N=N2 1 2.293 4 3 0 -16.9914714463319 24793398 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3)C(=O)NC4=CC=CC=C4Cl 1 1.89 6 3 0 -22.4589561989767 24793397 C1=CC(=CC=C1CNC(=O)CSC2=NC3=C(C4=C(N3)C=CC(=C4)F)N=N2)F 1 3.821 5 1 -17.0016123761298 24793396 CC1=CC(=CC=C1)C(C(=O)NCC2=CC=C(C=C2)OC)N(C3CC3)C(=O)C4=CSN=N4 1 3.539 4 3 0 -13.1564058016421 24793395 CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)CN2C(=O)COC3=CC=CC=C32 1 1.866 2 5 0 -11.7546709932903 24793394 CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NN=N2)C(CC(C)C)N3CCN(CC3)C4CCCC4.Cl Cl- 1 4.125 6 2 0 -19.4213476028251 24793393 CC1=CC(=C(C=C1)NC(=O)CS(=O)C2=CC=CC=C2N)C 1 2.122 2 2 -3.16283575435512 24793392 C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)C3=C(N=CN3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5 1 5.514 4 6 0 -13.2485825406003 24793391 CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NCC(=O)OCC2=CC=CC=C2 1 2.783 5 8 0 -30.5139708342319 24793390 C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.463 5 4 0 -12.7798995867404 24793389 C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(N=CN2)C(=O)N[C@@H](C)C(=O)OCC3=CC=CC=C3 1 2.402 4 6 0 -13.3268980684529 24793388 CCN(CC)C(=O)C1=C(N=CN1)C(=O)NCC(=O)OC(C)(C)C 1 0.395 4 4 0 -20.6316322444034 24793387 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(N=CN3)C(=O)NCC(=O)OCC4=CC=CC=C4 1 1.979 5 4 0 -14.4512530677453 24793386 CC(C)(C)OC(=O)CNC(=O)C1=C(N=CN1)C(=O)NCCCCCNC(=O)OC(C)(C)C 1 1.357 5 6 0 -21.9825561767929 24793385 CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N(C)CC3=CC=CC=C3 1 3.321 4 4 0 -16.6704470960641 24793384 CC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)C4=C(C=C5C(=C4)N(C(=N5)C6=CC=NC=C6)CCOCCO)Cl 1 4.921 6 2 0 3.5695841711633 24793383 CCN1C(=C([C@@H](N=C1NCC=C)C2=CC(=CC=C2)C(F)(F)F)C(=O)OC)C 1 3.439 3 2 -9.05676629601281 24793382 CCN1C(=C([C@@H](N=C1NCCCCO)C2=CC(=CC=C2)C(F)(F)F)C(=O)OC)C 1 2.925 3 3 -5.42292217592472 24793381 CCN1C(=C([C@@H](NC1=S)CCC2=CC=CC=C2)C(=O)OC)C 1 4.015 2 2 -9.68333141454007 24793380 CCN1C(=C([C@@H](NC1=S)C2=CC=CC=C2)C(=O)OC)C 1 3.237 2 2 -16.6543280080872 24793379 CC1=C([C@@H](N=C(N1CCOC)NCC=C)C2=CC=CC=C2)C(=O)OC 1 2.017 3 3 -13.6505321668544 24793378 CCN1C(=C([C@@H](N=C1NCCC2=CN=CC=C2)C3=CC=CC=C3)C(=O)OC)C 1 2.634 4 2 -9.68226381179602 24793377 CCCCNC(=O)C1=C(ON=C1CSC2=NC3=CC=CC=C3N2)C(=O)NCCCC 1 4.046 5 3 0 -10.8765849621279 24793376 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC(=C)CC3)[N+](=O)[O-] 1 4.137 3 3 -9.7272726573182 24793375 CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=NO2)C3=CC(=CC=C3)Br)C(=O)O 1 4.18 2 5 0 4.07283425486099 24793374 CC1=CC=CC(=C1)C2=NC3=C(S2)CCC4=C3C(=NO4)C5=CC=C(C=C5)Br 1 6.133 2 1 9.46111915887408 24793373 COC1=CC=C(C=C1)C2=NOC3=C2C4=C(CC3)SC(=N4)C5=CC=C(C=C5)OC 1 4.866 2 3 5.03732179545955 24793372 CC1=NN=C(S1)NC(=O)C2CCCN2C(=O)NC3=CC=CC=C3 1 1.119 5 2 0 -15.5059441650133 24793371 COCCCN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CC=NC=C3 1 1.651 5 2 0 -19.9629953143894 24793368 CC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3CCCCC3 1 2.458 5 2 0 -27.1245538564952 24793367 CC1=CC=C(C=C1)C(=O)NC2CCN(CC2)C(=O)NCC3=CC=CC=C3 1 2.474 3 2 -11.6276039608624 24793366 CC1=CC(=CC=C1)NC(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)F 1 3.72 2 2 -0.163615701196444 24793365 COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CCC3 1 2.341 4 3 0 -14.8611571747115 24793364 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CS(=O)CC(=O)NC3=C(C=C(C=C3C)C)C)C 1 3.645 3 3 0.392288435552356 24793363 CC1=CC(=C(C(=C1)C)NC(=O)CS(=O)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C 1 2.264 3 4 0 -4.15406875661991 24793362 C1=CC(=CC=C1OCC(=O)NCCCN2C=CN=C2)F.Cl Cl- 1 0.883 3 2 0 -6.488386560012 24793361 COC1=CC=C(C=C1)CNC(=O)CN2CCC(CC2)NC(=O)C3=CC=C(C=C3)OC 1 1.759 3 4 0 -13.5604157911762 24793360 CCC(C1=NN=NN1C2CCCCC2)N3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 2.549 6 2 0 -26.843938340204 24793359 C1CCC(CC1)NC(=O)CN(C2=CC=CC=C2F)C(=O)C3=CSN=N3 1 2.917 4 2 -19.1969149831038 24793358 CC1=CC=C(S1)C(=O)N(CC(=O)NC2CCCC2)C3=CC=C(C=C3)C(=O)C 1 3.121 2 3 -14.0979573221784 24793357 CC(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)NC3CCCC3 1 2.882 4 2 -24.4423933293276 24793356 CC1=CC(=CC=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CSN=N4 1 3.31 5 2 0 -15.2028805482375 24793355 CC1=CC(=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)C3=CC=C(C=C3)OC)C 1 3.788 2 3 -2.67659283155091 24793354 CC1=CC=CC=C1C(=O)NC2CC3CCCC(C2)N3C(=O)NC4=CC=CC=C4 1 3.441 3 2 -9.55050431050242 24793353 CC(C)C1=NN=C(S1)NC(=O)C2CCCN2C(=O)NC3=CC=C(C=C3)F 1 2.454 5 2 0 -13.8099081229132 24793352 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CN=CC=C3)C 1 2.931 3 3 -9.55874114835301 24793351 CC(=O)C1=CC(=CC=C1)N(CC(=O)NCCC2=CC=CC=C2)C(=O)C3=CSN=N3 1 2.498 4 3 0 -21.9504527871589 24793350 CC1=CC(=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)C4=CSN=N4)C 1 4.252 5 2 0 -19.9406383838904 24793349 COC1=CC=C(C=C1)NC(=O)N2C3CCCC2CC(C3)NC(=O)C4CC4 1 2.032 3 3 -8.69850413438102 24793348 CCC1=NC2=C(C(=C(S2)C)C)C(=N1)SCC(=O)NC3=C(C=CC(=C3)C)OC 1 4.553 3 2 -14.3059243627017 24793346 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCCC3 1 1.095 3 3 0 -15.5769542525254 24793345 C1=CC=C(C=C1)CCNC(=O)CN(CC2=CC=CC=C2)C(=O)C3=CSN=N3 1 2.765 4 2 -21.9138507587894 24793344 C1=CC=C(C=C1)CCNC(=O)CN(C2=CC(=C(C=C2)F)Cl)C(=O)C3=CSN=N3 1 3.628 4 2 -17.3793019653635 24793343 C[N+]1=CC=C(C=C1)/C=C/C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)OC)OC.[I-] I- 1 4.008 2 4 -6.35382145066911 24793342 COC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)F)N3C=NN=N3 1 1.4 5 3 0 -16.0587134637904 24793341 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCCC3 1 2.409 3 4 0 -16.9678484097289 24793340 C1CC1NC(=O)CN(CC2=CC=CC=C2Cl)C(=O)CN3C(=O)CSC4=CC=CC=C43 1 2.447 3 3 -16.8450793330349 24793339 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.532 5 2 0 -16.0600323832503 24793338 COC1=CC=CC=C1NC(=O)CSC2=NN=C(C3=CC=CC=C32)NCC=C 1 3.313 4 2 -21.7491371188049 24793337 CC1=CC=C(C=C1)N(C(C2=CC=CC=N2)C(=O)NCC3=CC=CC=C3)C(=O)C4=CSN=N4 1 3.92 5 2 0 -17.0926497832837 24793336 C1CC(CN(C1)C(=O)NC2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3F 1 2.961 3 2 -11.6724071933074 24793335 C1CC2=C(C1)NC(=NC2=O)SCC(=O)NC3=CC(=CC=C3)F 1 2.408 3 2 -17.4601530025558 24793334 COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)NCC3=CC=CC=C3 1 2.823 2 3 -7.58182667160726 24793333 CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)F 1 3.242 3 2 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4 3 0 -22.4023479260792 24793322 C#CC1=CC=C(C=C1)CN2CCC(CC2)N3CCC(CC3)C(=O)NC4CC4 1 3.311 3 1 4.41632132285628 24793321 CC(C)CC(=O)NC1=CC=NN1C2CCN(CC2)C(=O)CCC3=CC=CC=C3OC 1 2.608 4 3 0 -42.2505454067617 24793320 CC(C)C1=CSC(=N1)CN2CCCC(C2)CNC(=O)C3=CC=CC4=CC=CC=C43 1 4.285 3 1 -1.02517136373912 24793319 CN1C(=O)CCC(=N1)C(=O)N2CCCC(C2)NC3=CC(=C(C=C3)F)F 1 1.499 4 2 0 -22.0084607131602 24793318 CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC=C(C=C4)Cl)[N+](=O)[O-] 1 3.889 4 4 0 -8.18429522805957 24793317 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC4(CC3)CC(=NO4)C5=CC=CC=C5)[N+](=O)[O-] 1 4.421 4 4 0 -8.81937049328421 24793316 CC1(CC(=NO1)C2=CC=C(C=C2)OC(F)(F)F)C3=NN=C(O3)C4=CC(=CC=C4)Cl 1 5.917 3 3 3.99691805103779 24793315 CN(C)CCNC(=O)C1=C(ON=C1CSC2=NC3=CC=CC=C3N2)C(=O)NCCN(C)C 1 1.666 7 3 0 -6.24268791976403 24793314 CC1=C([C@@H](N=C(N1CC2CC2)NCC3=CC(=CC=C3)Cl)C4=CC=CC=C4)C(=O)OC 1 4.599 3 2 -5.66687684096624 24793313 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CC1CN(CCN1C)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=CC=N4 1 2.321 4 2 -3.26530876275173 24793187 CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCCC(C2)N(C)CC3=CC=CC=C3 1 3.031 2 3 -11.3108357917402 24793186 CCN1C=C(C=N1)C(=O)NC2CC(CC3=C2C=NN3C4=CC(=CC=C4)F)(C)C 1 3.396 5 1 -12.5617102343705 24793185 CN(CC1CCOCC1)C(=O)CC2C(=O)NCCN2CC3=CC=CC=C3F 1 1.056 3 3 0 -32.0292842179082 24793184 CC1=CC(=C(O1)C(=O)N(C)CC2CCCN(C2)CCC3=CC=CC=C3F)C 1 4.075 2 2 4.37342959430898 24793183 CC1=C(C(=CC=C1)C)OCC2=CC(=NO2)C(=O)N3CCN(CC3)C4CCCC4 1 4.103 3 3 -8.38259310163155 24793182 CC1=NOC(=C1)CN(C)C(=O)CC2C(=O)NCCN2CC3=CC(=C(C=C3)OC)OC 1 0.796 4 5 0 -40.2189533122236 24793181 C1CC1C(=O)NC2=CC=NN2C3CCN(CC3)C(=O)C4=C(C=CC=C4F)F 1 1.928 4 2 0 -36.1443208710034 24793180 CC1=NC=C(C=C1)OCC2=CC(=NO2)C(=O)N3CCC(CC3)CCCOC 1 2.167 3 4 0 -16.2113863639729 24793179 CCC1=CN=C(C=C1)CNC(=O)C2CCC(=O)N(C2)CCC3=CC=C(C=C3)Cl 1 3.348 3 2 -18.5393930610279 24793178 C1CCC(C1)CCCN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl 1 4.741 4 1 -25.9853067372087 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CCOC(=O)N1CCN(CC1)C(=O)C2CCC(=O)N(C2)CC3=CC(=CC=C3)C(F)(F)F 1 2.129 3 4 0 -15.3218444394194 24793145 CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)C(=O)C3=CC=CC(=C3)C#C 1 4.852 1 3 2.91798514447411 24793144 CC1=CC=CN2C1=NC(=C2CNCCC3=CC=CO3)C(=O)N4CCOCC4 1 1.353 4 3 0 -16.8642204537083 24793143 COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCC4CCOCC4)OC 1 2.91 2 5 0 -16.4218333066768 24793142 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(O3)C4=CC(=CC=C4)OC 1 3.489 2 5 0 0.188718964334486 24793141 CC1=C(C=C(C=C1)C2=C(C=NN2)CN3CCN(CC3)C(=O)C4=CC=CS4)C 1 3.964 4 1 -5.26909011128335 24793140 CC1=C(C(=NN1C)C)CN(C)C(=O)C2CCC(=O)N(C2)C3CCCCCC3 1 2.371 4 2 -18.5265349767146 24793139 CC1=C(SN=N1)C(=O)NC2CCCC3=C2C=NN3C4=CC=C(C=C4)C(C)(C)C 1 4.253 5 1 -5.27417602931573 24793138 CCN1C(=C(C(=N1)C)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5)C 1 2.278 6 3 0 -31.8395146022059 24793137 CC1=CC=CC=C1CC2(CCCN(C2)C(=O)C3=CC=C(O3)OC)CO 1 3.141 1 4 1.49526188118933 24793136 CCN1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl 1 2.513 4 1 -29.2081386104403 24793135 CCOC(=O)N1CCN(CC1)C2CCCN(C2)C(=O)C3=CC=CC=C3C(F)(F)F 1 3.023 3 3 -2.46966695049009 24793134 CC(=O)C1=CC(=CS1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)Cl 1 3.613 1 3 -3.38417276697505 24793133 CCOC(=O)C1(CCCN(C1)C(=O)C2=NOC(=C2)C)CC3=CC(=CC=C3)OC 1 2.972 2 5 0 -6.96175273683774 24793132 COCC1=CC=C(O1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)SC 1 3.074 1 4 -1.06766952544205 24793131 CC1=CC(=NN1)C(=O)NC2CC(CC3=C2C=NN3C4=CC=CC=C4)(C)C 1 3.209 5 1 -13.4963622599112 24793130 CC1=C(N=CC=C1)CNC(=O)C2=CC(=C(C=C2)OC3CCN(CC3)C(=O)C)OC 1 1.509 3 4 0 -15.3363325739386 24793129 CN(CC1=CC=C(C=C1)C(F)(F)F)C(=O)C2CCC(=O)N(C2)C3CC3 1 2.41 2 2 -15.3121242107398 24793128 CCCC1=CC2=C(C=C1)OC(=C2C)C(=O)NCCC3=CN(N=C3)C 1 4.072 3 2 6.64011471789411 24793127 CC1=CC=C(O1)C(C)CCN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC 1 3.426 4 3 0 -27.594093003924 24793126 CC1=C(C=NN1C)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC 1 1.862 6 2 0 -27.884776945207 24793125 COC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NCCN3CCCC(C3)O 1 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COC1=CC=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)N4CCCN(CC4)C=O 1 1.913 3 4 0 -7.13967336184473 24792976 CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)NCCC3=CN=CC=C3)C 1 3.292 3 3 -15.5424692916236 24792975 COC1=CC=CC=C1CCC(=O)NC2CCCN(C2)C3=NC=C(C=C3)C(F)(F)F 1 3.524 3 2 -6.72347070809031 24792974 CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N3CCC(CC3)O 1 2.042 2 3 -4.62281712373572 24792973 COC1=CC=C(C=C1)CCN2CC(CCC2=O)C(=O)NCCC3=CC=CC=C3C(F)(F)F 1 3.924 2 3 -22.0765722405142 24792972 C1CCC(C1)N2CC(CCC2=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl 1 3.091 3 2 -12.4916220720684 24792971 CCCN1C=C(C(=N1)C)CN2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4 1 3.488 3 3 -0.486017888384886 24792970 CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=NC=C(C=C3)C(=O)OC 1 3.518 3 3 -13.8206376736063 24792969 C1CC(CN(C1)CC2=CC3=CC=CC=C3N2)C(=O)NC4=CC=CC(=C4)N5C=CC=N5 1 3.893 5 1 14.010978818342 24792968 C1CCCC(CC1)N2CC(CCC2=O)C(=O)NCCC3=CC(=CC=C3)F 1 3.613 2 2 -18.8528828448135 24792967 CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCC4=C(C3)C=CC=C4Cl 1 4.636 2 3 -18.6769593639821 24792966 CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4=NC=CN=C4 1 3.261 5 1 -2.00532333104723 24792965 CC(C)(C#CC1=CC=C(O1)C(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=CS3)O 1 2.401 2 5 0 -21.2626972180273 24792964 CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N(C)CCC3=CNN=C3 1 2.958 4 2 -6.86768921371836 24792963 CC1=CC(=NO1)C2=NN=C(O2)CCC(=O)NCC3=CC(=CC=C3)C(F)(F)F 1 2.367 4 3 0 -24.2982513600001 24792962 C1CC(=O)N(CC1C(=O)NCCCC2=CC=NC=C2)CC3=CC(=CC=C3)F 1 2.188 3 2 -20.3613744377557 24792961 CC1=NC=CN1CCCNC(=O)C2CCC(=O)N(C2)CC3=CC=CC=C3F 1 1.043 4 2 0 -23.9018518248201 24792960 CSCC1=CC=C(O1)C(=O)N2CCCC(C2)NC3=CC4=C(C=C3)OCCO4 1 2.998 2 4 -18.1173695849088 24792959 CC1=C(N=CC=C1)CNC(=O)C2CCC(=O)N(C2)CCC3=CC(=CC=C3)F 1 2.433 3 2 -17.0997014523383 24792958 CC1=CC(=CC(=C1O)C)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl 1 4.478 4 2 -26.1413383724696 24792957 CC1=CC2=C(C=C1)OC(=C2C)C(=O)N(CC3=NC=CN3C)C(C)C 1 3.407 3 2 6.72328355936147 24792956 CC1=CC(=C2C(=C1)C(=C(O2)C(=O)N(C)CCC3=CN(N=C3)C)C)Cl 1 4.03 3 2 11.0266944881765 24792955 CCCN1C=C(C(=N1)C)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4 1 3.367 5 1 2.53047742899109 24792954 CC1=C(N=C(O1)C2=CC=C(C=C2)F)CN3CCCC(C3)C(=O)N4CCOCC4 1 2 3 3 0 11.7494028815698 24792906 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C5=C(C=CC(=C5)Cl)C 1 3.391 4 4 0 -18.2529647348032 24792907 CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)N4CCC(CC4)C(=O)N5CCN(CC5)C6=CC=CC=C6OC 1 2.982 4 5 0 -23.7925649113703 24792908 CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)N4CCC(CC4)C(=O)N5CCN(CC5)C6=C(C=CC(=C6)C)C 1 3.971 4 4 0 -22.4193341953673 24792909 C1=CC(=CC(=C1)Cl)S(=O)(=O)C2=CNC(=S)NC2=O 1 1.553 2 3 0 -10.1572213600273 24792910 C1=CC(=C(C=C1Cl)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+] Na+ 1 -2.332 2 9 0 -0.663011862521725 24792911 C1C(O1)CCOCCCC2=CC=CC=C2 1 2.19 0 2 -2.54061468384714 24792912 CCOC1=C(C=CC(=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)S(=O)(=O)C)OCCOC4=CC=CC(=C4)OC 1 4.548 4 7 0 -22.2580748407362 24792913 C1=CC=C2C(=C1)N(C=NS2(=O)=O)CC3=CC=C(C=C3)C#N 1 2.121 3 2 -1.8029854277183 24792914 CNC(=O)C1=C(N=CN1)C(=O)NCC(=O)OCC2=CC=CC=C2 1 0.143 4 4 0 -17.8841345129098 24792915 CC1CCN(CC1)C(=O)C2=C(N=CN2)C(=O)NCC(=O)OCC3=CC=CC=C3 1 1.518 4 4 0 -20.8560055428789 24792916 C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC(=O)OC(C)(C)C 1 1.452 4 4 0 -19.5857537494123 24792917 CC(C)(C)OC(=O)CNC(=O)C1=C(NC=N1)C(=O)NCC2=CC=C(C=C2)CNC(=O)OC(C)(C)C 1 1.776 5 6 0 -20.2929295062695 24792918 CC(C)(C)OC(=O)CNC(=O)C1=C(NC=N1)C(=O)N(C)CC2=CC=CC=C2 1 1.281 4 4 0 -17.4915489295848 24792919 CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(N=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 1 4.538 4 6 0 -19.4909258596864 24792920 C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC(=O)OCC3=CC=CC=C3 1 1.918 4 6 0 -19.7527173757028 24792921 CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC(=O)OCC3=CC=CC=C3 1 2.822 4 6 0 -22.4289957485846 24792953 COC1=CC=C(C=C1)CCNC(=O)C2CCC(=O)N(C2)C3CCCCCC3 1 3.392 2 3 -21.137551235976 24792952 COC1=CC(=CC(=C1)CN2CCNC(=O)C2CC(=O)NCCCC3CCCC3)OC 1 2.77 3 4 0 -37.5011219397111 24792951 COCCC1=NC2=C(O1)C=C(C=C2)C(=O)NCC3=CC(=CC=C3)N4C=CC=N4 1 2.619 4 3 0 -7.5110284293287 24792950 C1=CC=C(C=C1)CNC(=O)C2=C(ON=C2CSC3=NC4=CC=CC=C4N3)C(=O)NCC5=CC=CC=C5 1 4.556 5 3 0 -9.49249172343091 24792949 COCC1CCN(C1)C(=O)C2=NOC(=C2)COC3=CC=C(C4=CC=CC=C43)OC 1 2.632 2 5 0 -9.31531708708288 24792948 CN(C)C1CCN(C1)C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC=C(C=C4)OC 1 2.761 3 3 -6.03364658185949 24792947 CC(C)NC(=O)C1CCN(CC1)C2CCN(CC2)C(=O)C3=CC=C(O3)CSC 1 1.783 3 3 0 -16.2716784248637 24792946 C1CN(CCC1OC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=N3)CC4=CC=CC=N4 1 2.676 4 2 -9.45845248391934 24792945 C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)OC(=N3)CCCC4=CC=CC=C4)CCCO 1 4.565 2 3 -4.34437561008171 24792944 CC1=NN(C=C1)CC(=O)NC2CC(CC3=C2C=NN3C4=CC=C(C=C4)F)(C)C 1 3.181 5 1 -18.8899329400994 24792943 CN(C1CCOCC1)C(=O)C2CCC(=O)N(C2)CC3=CC=CC=C3F 1 1.025 2 3 0 -21.8533092892795 24792942 CC1=CC(=NN1C)CNC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC=CC=C4F 1 3.323 4 2 -17.1444241869545 24792941 CC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)N3CCCCCC3)OC 1 3.614 2 4 -13.6033059458745 24792940 CCN1C=CN=C1CN(C)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)CCC4=CC=CC=C4 1 3.461 4 2 -5.1135241132538 24792939 CC1=NC=C(C=C1)OCC2=CC(=NO2)C(=O)N3CCN(CC3)CC(=O)NC(C)C 1 0.647 5 4 0 -23.0119713425404 24792938 CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCC[C@H]3C(=O)N 1 1.763 3 4 0 -19.7668958880249 24792937 COC1=CC(=CC=C1)OCC2=CC(=NO2)C(=O)N3CCNC(=O)C3CC4=CC=CC=C4 1 2.673 3 5 0 -24.3421863885258 24792936 C1CC(=O)N(CC1C(=O)NCC2=CC=CC=C2OC(F)(F)F)CC3=CC=CC=N3 1 3.54 3 3 -24.6446620552159 24792935 CC1=CC(=C2C(=C1)C(=C(O2)C(=O)NC(C)C3=NC=NC=C3)C)Cl 1 3.774 3 2 10.3804828754283 24792934 CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)C4=CC5=C(CCC5)N=C4Cl 1 4.775 4 1 -0.966574352106623 24792933 CC1=C(SC(=N1)CCNC(=O)C2CCC(=O)N(C2)CC3=CC(=CC=C3)F)C 1 1.886 3 2 0 -17.8503239513801 24792932 CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=CC4=NC=CN=C4C=C3 1 3.849 4 1 -5.97080883726606 24792931 CC1=CC2=C(C=CN=C2C=C1)C(=O)N3CCCC(C3)NC4=CC(=C(C=C4)C)C 1 4.835 3 1 -7.91741322935739 24792930 CC1=CC(=C(O1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C 1 4.47 3 2 10.1153559947944 24792929 CC1=CC(=C/C(=C/2\NC3=C(O2)C=CC=N3)/C1=O)NC(=O)C4=CC=CS4 1 2.788 3 3 -7.26280611936906 24792928 CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)C3=CC=C(S3)COC 1 3.579 2 4 -13.7953351068797 24792927 CN(CCC1CCCCO1)C(=O)C2=NOC(=C2)COC3=CC=CC=C3OC 1 2.632 2 5 0 -20.3387237023367 24792926 CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=NN2C)C(C)C)CC3=CC(=CC=C3)Cl 1 4.978 3 3 -3.89492967837897 24792925 CC1=NC=C(S1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4 1 1.877 5 1 0 -25.74840843184 24792923 C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)CCCS(=O)(=O)[O-] 1 2.296 2 3 -1.46749586576821 24792922 C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C 1 1.625 5 6 0 -19.102289529991 24792905 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C 1 1.98 4 5 0 -23.2737245820665 24792904 CCOC(=O)N1CCN(CC1)C(=O)CC(C)S(=O)(=O)C2=CC3=C(C=C2C)NC(=O)CO3 1 0.732 3 7 0 -10.992252572775 24792903 CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)N=C1CN4CCN(CC4)C(=O)OCC 1 3.114 5 3 0 -6.83289386307017 24792902 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=C(O2)CS(=O)C3=CC=C(C=C3)Cl 1 2.551 2 5 0 -3.13531398099536 24792901 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)N(C)CC(OC)OC 1 3.2e-002 3 7 0 -23.4560237093077 24792900 CCOC(=O)N1CCN(CC1)C(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCOCC4)C 1 -4.6e-002 4 7 0 -23.4484136201032 24792899 CCCN(CCC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CCCC3=CC=CC=C3 1 3.287 9 2 0 -26.8711121493203 24792898 CC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3)F 1 1.763 3 4 0 -16.4658553467262 24792897 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 1.952 4 4 0 -18.4758358495681 24792896 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC=C(C=C3)OC 1 1.677 3 5 0 -22.7303883159528 24792895 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CN=CN4 1 0.368 6 5 0 -8.43362023493649 24792894 CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NC4=CC=CC=C4OC 1 2.128 3 5 0 -13.6815811155779 24792893 COC1=C(C=C(C=C1)/C=C(/C(=O)NCCCN2C=CN=C2)\NC(=O)C3=CC=C(C=C3)Cl)OC 1 2.43 4 4 0 -19.3747471635472 24792892 CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCCN3CCCCC3)C 1 3.418 3 3 -17.1589254186379 24792891 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)N4CCOCC4 1 1.64 2 6 0 -21.2158403369103 24792890 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/C2=CC(=CC=C2)Br)/NC(=O)C3=CC=CO3 1 3.66 2 5 0 -17.5821948156504 24792889 CCN1C2=C(C(=C(C1=O)CCC(=O)NCC3CCCO3)C)C(=NN2C4=CC=CC=C4)C 1 2.905 4 3 0 -18.9328069203111 24792888 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=CC=CC=C3OC2=O)NC4CCCCC4 1 3.671 2 4 -6.18700243445726 24792887 COC1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C(C2=O)C=CC(=C3)C(=O)NC4=CC(=CC=C4)F)O 1 3.433 2 6 0 -11.2357833593415 24792886 CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)NCCC(=O)N(C)CC4=CC=CC=C4 1 2.374 3 4 0 -23.8693530053954 24792885 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NCC3=CC=C(C=C3)Cl 1 2.075 3 4 0 -22.0393896204707 24792884 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NCC3=CC=CC=C3OC 1 1.394 3 5 0 -26.3886123512675 24792883 CN1C=C(C2=CC=CC=C21)/C=C(/C(=O)N3CCOCC3)\NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 2.338 3 6 0 -19.1073513041261 24792882 CCN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCN3CCOCC3)\NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 2.62 4 6 0 -22.8997905177752 24792881 CCN1C=C(C2=CC=CC=C21)/C=C(/C(=O)N3CCN(CC3)C)\NC(=O)C4=CC=CC=C4Cl 1 3.67 4 2 -13.4719821355149 24792880 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CN3CCN(CC3)C(=O)C4=CC=CO4 1 2.144 4 5 0 -21.4894093356904 24792879 C1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NC4=C(C=C(C=C4)Br)Br 1 5.137 2 2 -7.60731444419266 24792878 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCCCC4)C 1 4.986 3 2 -14.7819888746514 24792877 CC1=CC(=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCCCC4)Cl 1 4.791 2 2 -5.87928791294911 24792876 CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC=C4)OC 1 1.993 3 6 0 -16.4153912216852 24792875 C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)NN=CC3=CC=CC=C3F 1 4.455 2 2 -4.92823675682703 24792874 COC1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 4.116 3 3 -8.86379885722804 24792873 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=N3 1 3.232 4 2 -9.4456896192016 24792872 C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC=C(C=C3)F)Cl 1 4.337 3 2 -7.73895562261865 24792871 C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC=CO3)Cl 1 3.527 3 3 -8.89306154997512 24792870 C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl)F 1 4.337 3 2 -7.34421264699273 24792869 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=N3)Cl 1 3.41 4 2 -7.05576622723529 24792868 COC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.52 3 4 0 -17.2107604858722 24792867 CN1C2=C(C=C(C=C2)S(=O)(=O)CCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)N(C(=O)C1=O)C 1 0.751 4 8 0 -20.6708454670527 24792866 CCOC1=CC(=C(C=C1)OCC)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 1.68 4 5 0 -16.8205862162561 24792865 CN1CCN(CC1)C2=NN3C(=NN=C3CCC(=O)NC4=CC=CC=C4OC)C=C2 1 1.136 7 2 0 -12.4286432577588 24792864 CC1CCCN(C1)C(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(C3)C)C(=O)C 1 1.269 3 4 0 -19.8498112954899 24792863 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC(=C(C=C3OC)OC)Cl 1 2.035 3 6 0 -22.7251912862309 24792862 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC=C(C=C3)OC 1 1.387 3 5 0 -19.0917782039515 24792861 CCN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCN3CCOCC3)\NC(=O)C4=CC=CC=C4F 1 2.937 4 3 0 -20.4730907963482 24792860 CCN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCN3CCOCC3)\NC(=O)C4=CC=CC=C4 1 2.731 4 3 0 -20.1638635882687 24792859 CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)/C=C(/C(=O)N3CCCC3)\NC(=O)C4=CC=CC=C4OC 1 2.31 4 5 0 -18.6499106318163 24792858 CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCN3CCOCC3)\NC(=O)C4=CC=CC=C4Cl 1 2.213 5 5 0 -20.5344478627506 24792857 CCOC1=C(C=CC(=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)S(=O)(=O)CC)OC(=O)C4=CC=CO4 1 4.125 4 7 0 -27.1899841192287 24792856 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)S(=O)(=O)C 1 4.237 4 6 0 -22.8766505846725 24792855 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CC=C3)C4=CC=NC=C4 1 1.646 9 2 0 -26.9337694156682 24792854 COCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CS3 1 0.842 8 3 0 -27.0437158619659 24792853 CC(=NNC(=O)CNC(=O)/C=C/C1=CC=CC=C1OC)C2=CC=C(C=C2)OC 1 2.158 3 4 0 -13.4184139216202 24792852 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)CNC(=O)/C=C/C2=CC=CO2 1 2.465 4 3 0 -16.788987882489 24792851 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)S/C(=C\C5=CC=CC=C5)/C(=O)N4 1 3.507 4 2 -4.25078531597973 24792850 C1CCN(C1)CCCNC(=O)C2=CC3=C(C=C2)S/C(=C\C4=CC=CC=C4)/C(=O)N3 1 2.945 3 2 -9.36871608213626 24792849 CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)NC3CCN(CC3)C(=O)OCC 1 2.316 3 5 0 -1.96268806638181 24792848 CCN1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)S/C(=C/C4=CC(=C(C=C4)OC)OC)/C(=O)N3 1 2.695 4 4 0 -14.3970706772302 24792847 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CN(C=N3)CC(=O)NC4=CC=CC(=C4)C#N 1 1.745 5 3 0 -15.9481358460826 24792846 C1COCCN1S(=O)(=O)C2=CN(C=N2)CC(=O)NC3=CC=C(C=C3)C#N 1 -0.218 5 4 0 -16.9385078758634 24792845 CC1=NN(C(=O)C2=CC3=CC=CC=C3N12)CC(=O)NCC4CCCO4 1 1.293 4 3 0 -15.4987578208489 24792844 CCC1=CC=C(C=C1)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CC(=O)NCC4CCCO4 1 3.642 2 3 -13.7413974433207 24792843 CCC1=CC=C(C=C1)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CC(=O)NCCCN4CCOCC4 1 3.172 3 3 -11.7517541524029 24792842 C1CC(OC1)CNC(=O)CN2C3=CC=CC=C3S/C(=C\C4=CC=CC=C4F)/C2=O 1 2.905 2 3 -11.9864721210405 24792841 CC1CCC(CC1)NC(=O)CCN2C(=O)CCC(=N2)C3=CC=C(C=C3)OC 1 2.657 3 3 -16.1010814662186 24792840 CN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)/C=C\3/C(=O)N(C4=CC=CC=C4O3)CC5=CC=C(C=C5)Cl 1 4.337 4 3 0 -2.22116252343872 24792839 CCC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)NCC3CCCO3 1 1.864 3 3 0 -20.1330092665415 24792838 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)C3=CC=CC=C3 1 1.939 2 5 0 -3.16656462036439 24792837 C1CCN(CC1)S(=O)(=O)C2=CN(C=N2)CC(=O)NC3=CC=CC(=C3)C#N 1 1.011 5 3 0 -14.2550492351992 24792836 C1=CC(=CC(=C1)Br)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 1.884 3 5 0 -14.5727689726961 24792835 C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 1.135 3 5 0 -16.0483017453331 24792834 C1=CC(=CC=C1CNC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)F 1 1.348 3 5 0 -20.3623468977447 24792833 CC1=CC(=NN1C(C)CC(=O)NC2=CC3=C(C=C2)OCO3)C 1 1.938 3 3 0 -10.1204886392392 24792832 CN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)S/C(=C\C5=CC=C(C=C5)C(F)(F)F)/C1=O 1 4.655 4 2 0.324462788701288 24792831 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=CC(=C(C=C4)OC)Br 1 3.942 4 3 0 -7.80945150327977 24792830 CN1C2=CC(=C(C=C2N(C1=O)C)N3CCCCC3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 2.919 4 5 0 -14.2409915378659 24792829 CCOC(=O)C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)NC(=O)C4=C(C=CC(=C4)OC)Br 1 3.459 4 5 0 -11.3954991573821 24792828 CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=CC=C3 1 0.89 4 5 0 -20.4024494649185 24792827 CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=C(C=C3)C 1 1.376 4 5 0 -19.5876345601389 24792826 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCC3)C)C)C 1 1.077 4 5 0 -17.9353018162072 24792825 CC1=NN(C=C1)CCC(=O)N2CCC3=CC=CC=C32 1 1.927 3 1 0 -19.8795267648636 24792824 CC1=CC(=NN1CCC(=O)N2CCC3=CC=CC=C32)C 1 2.073 3 1 -18.2312562606396 24792823 CC1CCCC(N1CCCNC(=O)CCN2C3=C(C=CC=N3)N4C=CC=C4C2=O)C 1 2.727 5 2 0 -20.5916217249789 24792822 CCN1CCN(CC1)C(=O)CCN2C3=C(C=CC=N3)N4C=CC=C4C2=O 1 1.366 5 2 0 -11.1705778720815 24792821 CC1=CC(=C(C=C1)C)N(C)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 4.166 3 2 -11.8763964486832 24792820 CN(CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)S(=O)(=O)C2=CN=CN2 1 1.714 4 4 0 -3.28952562089265 24792819 C1COCCN1CCCN(CC2=CC=CS2)C(=S)NCC(=O)NCC3=CC=C(C=C3)Cl 1 3.713 4 2 -14.2149549757276 24792818 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CNC(=C2)C(=O)OC 1 0.396 3 6 0 -16.69448723977 24792817 C1CCC2=NC3=C(C=C(C=C3)NC(=O)C4=C(C=CC(=C4F)[N+](=O)[O-])F)C(=O)N2CC1 1 3.293 4 4 0 -15.3927786735498 24792816 C1CCC2=NC3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C(=O)N2CC1 1 2.882 4 4 0 -16.5459198021701 24792815 C1CCN2C(=NC3=C(C2=O)C=C(C=C3)NC(=O)C4=CN=C(C=C4)Cl)C1 1 2.254 4 2 -14.5640617339929 24792814 CCOC1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC3=C(N2)C=CS3 1 2.65 4 3 0 -2.55067300805271 24792813 CC1=C(C(=CC=C1)C)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCC(=O)NC4CCN(CC4)CC5=CC=CC=C5 1 3.908 5 4 0 -13.2626351618839 24792812 C1CCC(CC1)NC(=O)C2=C/C(=C/3\C=CC=CC3=O)/ON2 1 1.234 2 3 0 -9.28869379563129 24792811 CC1CN(CCN1C2=CC=CC(=C2)C)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCCC5 1 4.624 4 2 -12.2711252242548 24792810 CCOC1=CC=C(C=C1)CNC(=O)CCC(=O)N2CC3=C(C(=CC=C3)OC)OC4=C2C=CC=N4 1 3.181 3 5 0 -16.1511046024176 24792809 COC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4 1 0.977 3 6 0 -12.6355074839286 24792808 C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CNC4=C3C=C(C=C4)[N+](=O)[O-] 1 3.428 4 4 0 -3.66521646839826 24792807 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-] 1 3.06 3 4 0 -6.4099533990793 24792806 CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)N5CCOCC5 1 4.238 5 4 0 -19.8286766791184 24792805 CN(C1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CS3 1 3.001 2 5 0 -17.0046251805423 24792804 CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CCC(=O)NCCCN3CCCC3 1 1.766 3 3 0 -13.3111293691906 24792803 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3 1 2.473 3 4 0 -14.5508881208946 24792802 COC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3)OC 1 2.456 3 5 0 -14.3960025737049 24792801 CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)NC4CC4 1 4.024 4 3 0 -6.74269034971088 24792800 CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)C5CCN(CC5)C(=O)OC(C)(C)C)C 1 4.325 5 5 0 -5.17773020693001 24792799 COC1=CC=CC=C1NC(=O)CCN2C3=CC=CC=C3N4C=CC=C4C2=O 1 3.026 3 3 -13.0245648729389 24792798 CCN1CCCC1CNC(=O)C2=CC3=C(C=C2)S/C(=C/C4=CC=C(C=C4)C)/C(=O)N3 1 3.746 3 2 -14.7411018128482 24792797 CCN1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)S/C(=C/C4=CC=C(C=C4)C)/C(=O)N3 1 3.214 4 2 -9.62548146759719 24792796 CC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)SCCN3C 1 3.623 2 1 -10.1634292192291 24792795 CN1CCSC2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC 1 3.12 2 2 -8.10201244715844 24792794 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)NC1=O 1 3.323 3 4 0 -11.0688631255643 24792793 CC1=CC=CC=C1CCNC(=O)CCN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4 1 3.539 5 2 0 -13.9031224003126 24792792 CC1=CC=CC=C1CNC(=O)CCN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4 1 3.218 5 2 0 -13.8896517052321 24792791 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C 1 2.464 4 5 0 -14.1502234683317 24792790 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC3=NC4CS(=O)(=O)CC4S3 1 3.181 3 3 -9.98347571562888 24792789 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC(=CC=C2)NC3=NC4CS(=O)(=O)CC4S3 1 2.44 3 6 0 -15.9050527731973 24792788 COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=NC4CS(=O)(=O)CC4S3)Cl 1 3.137 3 4 0 -11.7188414303582 24792787 CC(C)C1=CC=C(C=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4C(=O)NC5CCCCC5)CCCN6CCCCC6)O3 1 3.474 4 4 0 -1.84228900012457 24792786 C1CC(OC1)CNC(=O)CSC2=NN3C=C(N=C3C=C2)C4=CC=CC=C4 1 2.549 4 2 -15.0927638375863 24792785 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC3=NSN=C3C=C2 1 2.693 3 4 0 -6.43185027842038 24792784 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.453 4 6 0 -16.2900558823839 24792783 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 1.769 4 6 0 -21.3144430464788 24792782 CCOCCCNC(=O)CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3 1 1.495 3 4 0 -33.3866746983559 24792781 CC(CNC(=O)CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4 1 3.439 3 3 -28.7742296932423 24792780 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CCC(=O)NCC4=CC=CC=C4 1 2.798 3 3 -28.8438539963546 24792779 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CCC(=O)N4CCCCC4 1 3.046 3 3 -27.9232963587218 24792778 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CCC(=O)NCC4=CC(=CC=C4)OC 1 3.49 3 4 0 -31.6665611140794 24792777 CN(C)C1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 1.185 5 3 0 -20.5875592658997 24792776 CC1=CC(=CC(=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br)C 1 1.988 4 3 0 -13.3477323911067 24792775 C1CN(CCN1C2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC(=CN=C3N)Br 1 1.274 5 3 0 -9.75500271135173 24792774 CCOC(=O)C1=CC(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 1.22 4 5 0 -18.1220130063004 24792773 CC1=C(C(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br)C 1 1.988 4 3 0 -11.7374372991309 24792772 COC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br)OC 1 0.983 4 5 0 -18.2136532242915 24792771 COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)O)CS(=O)(=O)C3=CC=CC=C3 1 1.648 2 6 0 -26.0733327194709 24792770 CC1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C 1 0.57 4 5 0 -24.8289610819944 24792769 COC1=CC=CC=C1C2=NN=C(O2)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 2.521 4 6 0 -17.5192258660561 24792768 CC1=C(C=C(C=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4C(=O)NC5CCCCC5)CCCN6CCCCC6)O3)Cl 1 3.431 4 4 0 -1.69389284286749 24792767 CC1CCCN(C1)CCCN2C(C34C=CC(O3)C(C4C2=O)C(=O)NC5=CC(=CC=C5)Cl)C(=O)NC6CCCCC6 1 3.264 4 4 0 -0.573441331141573 24792766 C1CCC2=NC3=C(N2CC1)N=CN=C3N4CCCC(C4)C(=O)N5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-] 1 3.026 8 3 0 -6.02060465392595 24792765 CN(C1=CC(=CC=C1)Cl)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 3.857 3 2 -8.67770587787113 24792764 CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 -0.895 4 8 0 -24.5271479144507 24792763 CCC1CCCCN1CCCNC(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.343 5 3 0 -22.1150043492313 24792762 C1CCCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)F 1 2.737 9 2 0 -22.2191935357538 24792761 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C)C 1 3.169 2 5 0 -6.91446788969106 24792760 C[C@]12[C@@H]([C@H]3COC4=CC=CC=C4[C@H]3N1C(=O)N(C2=O)C5=CC=C(C=C5)F)C6=CC=CC=C6 1 4.346 2 3 -1.14640054842904 24792759 CCOC1=C(C=C(C=C1)CCNC(=O)CS(=O)CC2=C(OC(=N2)C3=CC(=C(C=C3)OC)OC)C)OCC 1 3.046 2 7 0 -1.69124032120711 24792758 CCOC(=O)N1CCC(CC1)NC(=O)CSCC2=C(OC(=N2)C3=CC=C(C=C3)C)C 1 2.47 3 4 0 -1.41204117082026 24792757 CCOC(=O)N1CCC(CC1)NC(=O)CSCC2=C(OC(=N2)C3=CC=C(C=C3)OC)C 1 1.967 3 5 0 -1.56566783699555 24792756 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=CC(=C5)C)C)C=CC(=C3)OC 1 3.153 2 6 0 -5.39594458758413 24792755 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC(=CC=C5)F)C)C=CC(=C3)OC 1 2.872 2 6 0 -5.54540562638138 24792754 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C)C)C=CC(=C3)OC 1 3.153 2 6 0 -7.13986946795488 24792753 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)F)C 1 2.888 2 5 0 -6.20259086422581 24792752 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C 1 3.347 2 5 0 -5.09246919910424 24792751 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)OC)C 1 2.667 2 6 0 -7.25639115020015 24792750 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC(=CC=C5)F)C 1 2.888 2 5 0 -5.2775603704207 24792749 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C(F)(F)F)C)C=CC(=C3)OC 1 3.609 2 6 0 -3.54410258062258 24792747 C[N+]1=CC=C(C=C1)/C=C/C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)OC.[I-] I- 1 4.024 2 3 -6.26628222880776 24792746 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)Br)C)C=C(C=C3)Br 1 4.18 2 5 0 -5.93720641040714 24792745 C1COCCN1CCCNC(=O)C(=O)C2=CNC3=CC=CC=C32.Cl Cl- 1 1.106 3 3 0 -8.16579296923385 24792744 COC1=CC=CC(=C1)C(=O)OCCNC(=O)C2=CN=CC=C2.Cl Cl- 1 1.375 2 4 0 -13.1502427276404 24792743 CCCC1=CC2=NN=C(N2C(=N1)N)SCC(=O)N(C)C3CCCCC3 1 3.364 6 1 0 -16.4041634000312 24792742 COC1=CC=CC(=C1)NC(=O)NNC(=O)CN2C(=O)COC3=CC=CC=C32 1 0.61 4 5 0 -9.45599804168655 24792741 CC(C)C(C(=O)NC1CCCC1)OC(=O)CN2C3=CC=CC=C3N=N2 1 3.136 4 3 0 -16.6774522988875 24792740 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C 1 3.347 2 5 0 -5.09246919910424 24792738 C1C(CSC1=O)C(=O)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)F 1 2.132 2 5 0 -12.9530399000112 24792737 CC(C(=O)NC1CCCCC1)SC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 4.169 5 1 -16.7503899915734 24792736 CC(=O)NC(CC1=CC=C(C=C1)F)C(=O)NC2CCN(CC2)C(=O)NC3=CC=C(C=C3)F 1 1.827 4 3 0 -15.427896341882 24792735 CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)O 1 4.094 3 3 -20.5305241056696 24792734 CC1=CC=C(C=C1)NC(=O)CS(=O)CC(=O)NC2=CC=CC=C2C3=CC=C(O3)C 1 2.501 2 4 2.06291340731917 24792733 CC1=CC=C(C=C1)NC(=O)CS(=O)CC(=O)N2CCN(CC2)C3CCCC3 1 1.431 3 3 0 -1.93565469737915 24792732 CC(C)C1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3CCCCC3 1 3.071 2 3 -7.72738775255121 24792731 CCC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3CCCCC3 1 2.751 2 3 -9.77336873296746 24792730 CC1(C(=O)NC2=C(O1)C=CC(=C2)C(=O)NNC(=O)NC3=CC(=CC=C3)OC)C 1 1.349 4 5 0 -10.7165334628999 24792729 CCOC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)NC3=NC=CS3 1 2.162 3 3 -4.94858796132208 24792728 CC1=C(C(=CC=C1)C)NC(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)F 1 4.206 2 2 -3.71431856269218 24792727 CC1=CC=C(C=C1)NC(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)F 1 3.72 2 2 -2.05126125452557 24792726 COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)F)OC 1 2.716 3 4 0 -7.25723073049152 24792725 C1CC(CN(C1)C(=O)NC2=CC=C(C=C2)F)C(=O)NCC3=CC=C(C=C3)F 1 2.961 3 2 -10.5382703297544 24792724 CC1=CC(=CC=C1)NC(=O)NC2(CCCCC2)C(=O)NCC3=CC=CO3 1 3.185 3 3 -9.54118860267948 24792723 C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)N(CC3=CN=CC=C3)C(=O)C4=CSN=N4 1 3.287 5 2 0 -19.1153798531148 24792722 CC1=C(C(=CC=C1)C)N(CC(=O)NC2CCCCC2)C(=O)C3=CSN=N3 1 3.684 4 2 -16.4835780999822 24792721 C1CCC2=C(C1)C=CC=C2N(CC(=O)NCC3=CC=CC=C3)C(=O)C4=CSN=N4 1 3.95 4 2 -21.9668316371535 24792720 C1CCC(CC1)NC(=O)C(C2=CC=CO2)N(C3=CC(=CC=C3)Cl)C(=O)C4=CSN=N4 1 4.49 4 3 0 -15.5800500226888 24792719 C1=CC=C(C=C1)CNC(=O)C(C2=CN=CC=C2)N(C3=CC=CC=C3)C(=O)C4=CSN=N4 1 3.005 5 2 0 -20.3842700017442 24792718 C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(C3=CC=C(C=C3)F)C(=O)C4=CSN=N4 1 3.485 5 2 0 -19.003692958038 24792717 COC1=CC=CC(=C1)NC(=O)C2CCCN2C(=O)NC3=CC=CC=C3 1 2.368 3 3 -8.36266522693328 24792716 C1=CC(=CC(=C1)N(CC(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CSN=N3)C(F)(F)F 1 3.585 4 2 -14.2727602968569 24792715 C1=CC=C(C=C1)CNC(=O)CN(C2=CC=CC=C2C(F)(F)F)C(=O)C3=CSN=N3 1 3.379 4 2 -19.7370982843218 24792714 CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2)C(=O)C3=CSN=N3 1 2.923 4 2 -18.3306417509257 24792713 CC1=CC(=CC=C1)N(CC(=O)NCCC2=CC=CC=C2)C(=O)C3=CSN=N3 1 3.244 4 2 -18.0424743063722 24792712 CC(C)(C)C(=O)NC1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OCO3 1 1.435 3 4 0 -16.2041534530543 24792711 CC1=C(C=C(C=C1)NC(=O)CS(=O)CC(=O)NC2=CC3=CC=CC=C3N=C2)Cl 1 2.293 3 3 2.07404644770888 24792710 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CS(=O)CC(=O)NC3=CC=C(C=C3)F 1 2.68 2 3 3.54382192874967 24792709 CC1=C(C(=CC=C1)C)NC(=O)CS(=O)CC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 1.778 3 4 0 -5.14848029472696 24792708 COC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3F 1 3.004 4 3 0 -25.4077727079105 24792707 C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CO3)Br 1 2.952 4 3 0 -19.9834314566267 24792706 COC1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=C2F)OC(=O)C3=CC=CO3 1 3.631 1 5 -10.2041892678629 24792705 CC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NC3=NN=C(S3)C(C)C 1 2.735 5 2 0 -14.5217851483784 24792704 CC1=CC(=C(C=C1)C)N(CC(=O)NC2CCCCC2)C(=O)C3=CSN=N3 1 3.684 4 2 -17.3012506199628 24792703 C1CN(CCC1NC(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)F 1 1.495 3 3 0 -18.3150922066712 24792702 C1CCC(CC1)C(=O)NC2CCN(CC2)C(=S)NC3=CC=C(C=C3)F 1 4.544 3 1 -12.5346310181134 24792701 CC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)NC(=O)C3=CC=CO3 1 1.116 3 4 0 -11.0727579471213 24792700 C1CN(CCC1NC(=O)C2=CC(=CC=C2)F)C(=O)NC3=CC=CC=C3Cl 1 2.85 3 2 -7.77677470134962 24792699 C1CN(CCC1NC(=O)C2=CC(=CC=C2)F)C(=O)NCC3=CC=CC=C3 1 2.193 3 2 -10.9004650740978 24792698 CC1=C(SC(=C1C(=O)N)NC(=O)CN(C2CCCC2)C(=O)C3=CC=C(C=C3)OC)C 1 2.686 3 4 0 -13.5106032710816 24792697 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4 0 -10.9513265094296 24792426 C1=CC(=O)C=CC1=C2NN=C(O2)SCC(=O)NNC(=O)C3=CC=NC=C3 1 0.622 5 4 0 -15.2795722629326 24792425 C1=CC(=O)C=CC1=C2NN=C(O2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.221 4 5 0 -17.3146119409221 24792424 C1CN(CCC1C(=O)NC2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3 1 2.621 3 2 -4.67196286734062 24792421 CC(C)N1C(=NN=N1)C(C2=CC=C(C=C2)OC)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.112 6 3 0 -15.6306177012895 24792420 COC1=CC=C(C=C1)NC(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3F 1 2.74 3 3 -12.2737723715288 24792419 COC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC(=O)NCC3=CC=CC=C3F 1 1.981 3 3 0 -14.1710745983412 24792418 COC1=CC=CC=C1CNC(=O)CSC2=NC3=C(C4=C(N3)C=CC(=C4)F)N=N2 1 3.599 5 2 0 -19.0742007904729 24792417 COC1=CC(=CC(=C1OC)OC)C(C2=NN=NN2C3CCCC3)N4CCN(CC4)C(=O)C5=CC=CO5.Cl Cl- 1 2.755 6 5 0 -26.8503002605694 24792416 C1=CC=C2C(=C1)C=CC=C2N(CC(=O)NCC3=CC=C(C=C3)F)C(=O)C4=CSN=N4 1 3.551 4 2 -17.2980332917358 24792415 C1CN(CCC1C(=O)NNC(=O)C2=CC=C(C=C2)F)C3=NC=CC=N3 1 0.833 5 2 0 -0.709665117087279 24792414 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F)C5CC5)C.Cl Cl- 1 4.245 4 1 -4.17820894013763 24792413 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=O)C4=CC=CC=C4F)C5CC5)C.Cl Cl- 1 4.245 4 1 -5.78729832244738 24792412 C1CC(CN(C1)C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)F 1 2.763 3 2 -9.5724765054391 24792411 CCOC1=CC=CC=C1NC(=O)CN2CCC(CC2)C(=O)C3=CC=C(C=C3)OC 1 3.148 2 4 -6.54175138052107 24792410 C1CCC(CC1)NC(=O)CN(C2=CC=CC=C2C(F)(F)F)C(=O)C3=CSN=N3 1 3.654 4 2 -17.8644894199872 24792409 CC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC4=CC5=C(C=C4C=C3C#N)OCO5 1 3.174 4 3 0 -3.02320945941601 24792408 COC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC(=O)N3CCCCC3 1 1.315 3 3 0 -10.5825483591968 24792405 C1CC(CN(C1)C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 2.557 3 2 -11.3921998977322 24792404 CC1=CC=CC=C1NC(=O)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)F 1 3.235 3 2 -4.01626001402725 24792403 CC1=CC=CC=C1NC(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)OC 1 3.498 2 3 -5.51515176254576 24792402 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CNC(=O)/C=C/C2=CC=CO2 1 1.557 3 6 0 -15.5165950269865 24792401 C1CC(CN(C1)C(=O)NC2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3Cl 1 3.42 3 2 -11.0755908180204 24792400 CC1=CC=C(C=C1)CNC(=O)CN(C2=CC=CC=C2F)C(=O)C3(CC(=O)N=C4N3C=CC=C4)C 1 2.485 4 3 0 -21.4973501409265 24792399 C1CCC(CC1)NC(=O)C(C2=CC=NC=C2)N(C3=CC=C(C=C3)F)C(=O)C4=CSN=N4 1 3.485 5 2 0 -15.8124237682209 24792398 CC1=CC=C(C=C1)N(C(C2=CC=CO2)C(=O)NC3CCCCC3)C(=O)C4=CSN=N4 1 4.312 4 3 0 -18.0953565475227 24792397 C1CC(CN(C1)C(=O)NC2=CC=C(C=C2)F)C(=O)NCC3=CC=CS3 1 2.496 3 2 -12.560203229714 24792396 CC1=CC=C(C=C1)NC(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)OC 1 3.498 2 3 -3.17610448913497 24792395 CC(C)CCN(C(C1=CC=CC=C1)C(=O)NC2CCCC2)C(=O)C3=CSN=N3 1 3.978 4 2 -20.0008449003996 24792394 CCCC(C1=NN=NN1CS(=O)(=O)C2=CC=C(C=C2)C)N3CCN(CC3)C4CCCC4.Cl Cl- 1 3.873 6 2 0 -19.8391486948559 24792393 CC(C)C1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)NC3=CC=C(C=C3)Cl 1 2.937 5 2 0 -6.97789406002409 24792392 CC1=CC=CC=C1C(=O)NC2CCN(CC2)C(=O)NC3CCCCC3 1 2.748 3 2 -13.8267021487843 24792391 CC1=CC=CC=C1C(=O)NC2CCN(CC2)C(=O)NC3=CC=C(C=C3)F 1 2.672 3 2 -10.7788174401397 24792390 C1COC2=C(O1)C=CC(=C2)N(CC(=O)NCC3=CC=CC=C3)C(=O)C4=CSN=N4 1 2.223 4 4 0 -21.5247244328222 24792389 CC1=CC=CC=C1C(=O)N(CC(=O)NC2=C(C(=C(S2)C)C)C(=O)N)C3CCCC3 1 3.189 3 3 -13.3951135461451 24792388 COC1=CC=C(C=C1)CN(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CSN=N4 1 2.195 4 5 0 -22.9724905700272 24792387 COC1=CC=C(C=C1)C(=O)NC2CCN(CC2)C(=O)NC3=CC=C(C=C3)F 1 2.17 3 3 -8.43131254580071 24792386 COC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C4=C(N3)C=CC(=C4)F)N=N2 1 3.599 5 2 0 -16.959942959407 24792385 C1=CC=C(C=C1)CNC(=O)C(C2=CN=CC=C2)N(C3=CC=CC=C3F)C(=O)C4=CC=CC=N4 1 3.515 4 2 -17.7017233088224 24792383 COC1=C(C=C(C=C1)C(C2=NN=NN2C3CCCC3)N4CCN(CC4)C(=O)C5=CC=CO5)OC.Cl Cl- 1 2.771 6 4 0 -27.1299660685109 24792382 CCCC1=NN=C(N1CCOC)SCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.158 4 4 0 -26.0728102621926 24792381 CC1=CC=CC=C1C(=O)NNC(=O)C2CCN(CC2)C3=NC=CC=N3 1 1.114 5 2 0 -5.29110435163132 24792380 CC1=CC=CC(=C1)C(=O)N(CC(=O)NC2=C(C(=C(S2)C)C)C(=O)N)C3CCCC3 1 3.189 3 3 -12.6615665597924 24792379 COCCN1C(=NN=N1)C(C2=CC=C(C=C2)Cl)N3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 1.936 6 3 0 -19.5829258007831 24792378 C1CN(CCC1NC(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3 1 2.193 3 2 -10.9157269353971 24792377 CC1=CC=C(C=C1)NC(=S)N2CCC(CC2)NC(=O)C3=CC=CC=C3 1 4.363 3 1 -15.6162623632243 24792376 CC1CCCCN1C(=O)CSC2=NC3=C(C4=C(N3)C=CC(=C4)F)N=N2 1 3.533 5 1 -14.987088748298 24792375 COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NCC3CCCO3 1 2.378 3 3 -18.4383020389727 24792374 COCCN1C(=NN=N1)C(C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 1.271 6 3 0 -23.3180246233498 24792373 CC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)NC(=O)C3CCCCC3)C 1 5.311 3 1 -13.4944228582187 24792372 CC1=CC=C(C=C1)C(=O)NC2CCN(CC2)C(=O)NC3=CC=CC=C3 1 2.467 3 2 -8.88687750049518 24792371 CC1=CC=C(C=C1)C(=O)NC2CCN(CC2)C(=O)NC3=CC=C(C=C3)F 1 2.672 3 2 -8.01834633665657 24792370 COC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=NC=C3 1 3.416 3 4 0 -9.61589197833837 24792369 CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C4=C(N3)C=CC(=C4)F)N=N2 1 4.102 5 1 -16.5469767502629 24792368 CC1=CC(=CC=C1)N(C(C2=CC=C(O2)C)C(=O)NCC3=CC=CC=C3)C(=O)C4=CSN=N4 1 4.183 4 3 0 -14.7264171943619 24792367 CC1=CC=C(C=C1)C(=O)N(CC(=O)NC2=C(C(=C(S2)C)C)C(=O)N)C3CCCC3 1 3.189 3 3 -13.2859336562712 24792366 CC1CCN(CC1)C(=O)CSC2=NC3=C(C4=C(N3)C=CC(=C4)F)N=N2 1 3.407 5 1 -16.7015474468561 24792365 CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)NC(=O)C3=CC=CC=C3 1 4.209 3 2 -16.7954517240765 24792364 CC1=CC=C(O1)C=NNC(=O)CNC(=O)/C=C/C2=CC=CC=C2OC 1 1.735 3 4 0 -12.2103253538023 24792363 C1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-] Br- 1 3.369 3 4 0 -4.31177717567163 24792306 C1CC(N(C1)C(=O)NC2=CC=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.824 3 4 0 -11.2361448750922 24792307 COC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)NC3=CC=C(C=C3)OC 1 2.352 3 4 0 -8.8068037925871 24792308 CCOC1=CC=C(C=C1)NC(=O)CS(=O)CC(=O)NC2=CN=CC=C2 1 0.138 3 4 0 -3.02923680117387 24792309 CC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NC3=CC4=C(C=C3)OCO4 1 2.639 3 4 0 -10.6322922710446 24792310 CC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)S(=O)(=O)C)OC 1 4.702 4 6 0 -20.4319343367663 24792311 COC1=CC=CC=C1OCCOC2=CC=C(C=C2)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)S(=O)(=O)C 1 4.216 4 6 0 -19.9786139637965 24792312 COCCNC(=O)CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=CC=C4F 1 2.28 4 5 0 -14.8975397152646 24792313 CC1=NN2C(=N)/C(=C\C3=CC=C(C=C3)OCCOC4=CC=C(C=C4)NC(=O)C)/C(=O)N=C2S1 1 3.167 5 4 0 -19.1392711543352 24792314 C1CCC(CC1)NC(=O)CN(C2=CC(=C(C=C2)F)Cl)C(=O)CNC(=O)C3=CC=CO3 1 3.063 3 4 0 -16.3147140971785 24792315 CCC1=NN=C(S1)NC(=O)CSC2=NN=C3N2C(=CC(=N3)C)C 1 1.906 7 1 0 -24.3822765213225 24792316 COC1=CC2=C(C=C1)NC(=O)C(=C2)C3C4=CC(=C(C=C4CCN3C(=O)C5=CC=CO5)OC)OC 1 3.243 2 6 0 -16.1507532616967 24792317 COC1=CC2=C(C=C1)C=C(C(=O)N2)C3C4=CC(=C(C=C4CCN3C(=O)C5=CC=CO5)OC)OC 1 3.243 2 6 0 -16.0947041270251 24792318 CCC1=CC=C(C=C1)C(=NNC(=O)CNC(=O)/C=C/C2=CC=CC=C2OC)C 1 3.117 3 3 -13.4136586971646 24792319 CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCN(CC3)C4CCCCC4 1 2.393 3 3 -5.50226922783773 24792320 CC(C)C1=NN=C(S1)NC(=O)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)F 1 2.613 5 2 0 -8.77317442405431 24792321 CC1=C(C(=CC=C1)NC(=O)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)F)C 1 3.721 3 2 -0.445307966128913 24792322 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCCCN3CCOCC3 1 0.258 3 4 0 -13.3615167478075 24792323 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCCN3CCOCC3 1 0.196 3 4 0 -13.1687293092921 24792324 C1CCC(CC1)NC(=O)CN(C2=CC(=CC=C2)F)C(=O)CNC(=O)C3=CC=CO3 1 2.399 3 4 0 -15.8190108878298 24792325 CC1=NC(=NC=C1)N2CCCC(C2)C(=O)NC3CC3 1 0.702 4 1 0 -4.63343587846268 24792326 CC1=CC=CC=C1N(CC(=O)NCCC2=CC=CC=C2)C(=O)C3=CSN=N3 1 3.244 4 2 -21.4906367352464 24792327 CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4=NC=CN=C4)C#N 1 1.533 6 1 0 -5.27792972212095 24792328 C1CN(CCC1NC(=O)C2=CC=CO2)S(=O)(=O)C3=CC=CC=C3F 1 1.376 2 4 0 -16.8698467327917 24792329 C1CN(CCC1NC(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.289 3 3 0 -17.7919136919404 24792361 C[N+]1=CC=C(C=C1)/C=C/C2=CC(=C(C=C2)OCC(=O)NC3=CC(=C(C=C3)Cl)Cl)OC.[I-] I- 1 5.353 2 3 -4.62937730144263 24792360 CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)/C=C/C3=CC=CC=[N+]3C)OC.[I-] I- 1 4.802 2 3 -10.2197200048641 24792359 C[N+]1=CC=CC=C1/C=C/C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)OC)OC.[I-] I- 1 4.299 2 4 -7.73080759209411 24792358 C/C(=C\1/C=CC=CC1=O)/NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCCCC4.Cl Cl- 1 0.912 9 3 0 -24.2073255610589 24792357 C1OC2=C(O1)C=C(C=C2)C(=O)NN=C/C=C/C3=CC=C(C=C3)Br 1 3.56 2 3 -1.86035203075072 24792356 CCN1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC=C(C=C4)Cl.Cl Cl- 1 2.109 10 2 0 -25.3729718304171 24792355 CCN1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC(=C(C=C4)Cl)Cl.Cl Cl- 1 2.774 10 2 0 -24.87698476903 24792354 CCOC1=C(C=CC(=C1)/C=C/C2=CC=CC=[N+]2C)OCC(=O)NC3=CC=C(C=C3)C.[I-] I- 1 5.15 2 3 -8.17034489528746 24792353 C[N+]1=CC=CC=C1/C=C/C2=CC(=C(C=C2)OCC(=O)NC3=CC(=CC=C3)Cl)OC.[I-] I- 1 4.98 2 3 -4.97497710590038 24792352 C[N+]1=CC=CC=C1/C=C/C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)OC.[I-] I- 1 4.315 2 3 -7.81168136724516 24792351 CCC(=NNC(=O)CNC(=O)/C=C/C1=CC=C(C=C1)OC)C2=CC=CC=C2 1 2.842 3 3 -12.9628710603874 24792350 C[N+]1=CC=CC(=C1)C(=O)NN=CC2=CC3=C(C=C2)OCO3.[I-] I- 1 2.056 3 3 -6.12424892874892 24792349 COC1=C(C(=CC=C1)OC)NC(=O)CN2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCCO4 1 2.042 3 6 0 -8.37364386183178 24792348 CC(=O)C1=CC2=C(C=C1NC(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)F)OCO2 1 2.003 3 5 0 -9.43240163522755 24792347 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CN=CC=C3)Cl 1 1.775 3 3 0 -19.3259002057708 24792346 COC1=CC=C(C=C1)C(=O)NC2=NC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl Cl- 1 2.722 3 6 0 -10.3213013424715 24792345 C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CC(=O)NCC3=CC=CC=C3F 1 3.25 2 2 -7.60262433798878 24792344 CC1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCCO4 1 3.46 3 3 -13.1038361136089 24792343 CC(=O)NC1=CC2=C(C=C1NC(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)F)OCCO2 1 1.401 4 5 0 -9.61211656756726 24792342 CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCC3COCCO3 1 0.785 3 4 0 -14.9229403432591 24792341 CC(=O)NC1=CC2=C(C=C1NC(=O)CN3C(=O)C=CC(=N3)C4=CC=CC=C4)OCCO2 1 1.196 4 5 0 -10.7985100093477 24792340 C1COC(CO1)CNC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl 1 0.963 3 4 0 -13.1009416526723 24792339 CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCCCN3CCN(CC3)C 1 0.53 4 3 0 -9.31352049008463 24792338 CCC1=C(N=C(N2C1=NN=C2SCC(=O)NC3CCCCC3)N)C 1 2.977 6 1 0 -18.6799377783105 24792337 CC1=CC2=NN=C(N2C(=N1)N)SCC(=O)NC3CCCCC3 1 2.035 6 1 0 -16.9885861198338 24792335 C1CN(CCN1)C(=O)COC2=CC3=CC=CC=C3C=C2.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 1.409 2 2 0 -8.00845142491063 24792334 CC1CCN(CC1)CC(C)OC(=O)C2=CC=CO2.Cl Cl- 1 2.765 1 3 -6.5568754647021 24792331 CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)C3=NC=CN=C3 1 2.017 4 1 5.99925697557661 24792330 COC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2Cl)N3C=NN=N3 1 1.859 5 3 0 -18.7933830547275 24790289 CCN1C=C(C=N1)C(=O)N2CCCC(C2)(CC3=CC(=CC=C3)Cl)C(=O)OCC 1 3.623 3 3 -3.90523714965352 24790288 CN1C=C(C=N1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4 1 1.739 6 1 0 -23.6297727329144 24790287 CC(=O)C1=CC(=CC=C1)CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=CO4 1 3.948 2 3 8.21399231309938 24790286 CN(CCC1CCOCC1)C(=O)CC2C(=O)NCCN2CC3=C(C(=CC=C3)OC)OC 1 1.206 3 5 0 -35.2206940374991 24790285 CC1=CSC(=N1)CN(C)C(=O)CC2C(=O)NCCN2CC3=CC(=C(C=C3)Cl)F 1 1.816 4 2 0 -32.8567714060867 24790284 CCOC(=O)C1(CCCN(C1)C(=O)CCN2CCCC2=O)CC3=CC(=CC=C3)Cl 1 2.73 2 4 -12.3257603300566 24790283 CCN1C(=C(C=N1)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F)C 1 4.028 4 1 10.2360730448468 24790282 CC1=CN=C(N1)CNC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=C(C=C4)OC)OC 1 2.3 4 4 0 -15.6075774368244 24790281 CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=C(C=C2)N3C=CN=C3)CC4=CC=CC=C4 1 3.63 3 3 -1.59807601095694 24790280 CCOC(=O)C1(CCN(CC1)C(=O)C2=NOC(=C2)C)CC3=CC=C(C=C3)OC 1 2.837 2 5 0 -4.80415054120348 24790279 COC1=CC=CC=C1CCCNC(=O)C2CCC(=O)N(C2)CC3=CC=CC=C3F 1 3.322 2 3 -27.0630847842188 24790278 CC1=C(C=NN1C)CNC(=O)C2CCC(=O)N(C2)CCC3=CC=CC=C3 1 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C1CN(CCC1N2C(=CC=N2)NC(=O)C3CCOC3)C(=O)C4=C(C=CC(=C4)Cl)F 1 1.665 4 3 0 -38.1928300492621 24790084 CCC1=CC=C(C=C1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4C 1 4.512 4 1 -28.7567978827553 24790083 CCN1C=C(C=N1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4 1 3.029 6 1 0 -31.259493811452 24790082 CC1=NC=C(S1)CN2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4OC 1 3.124 3 2 -10.475301665746 24790081 COC1=CC(=C(C=C1)O)CN2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4 1 2.908 4 4 0 -24.1468896043854 24790080 CCC1=C(C(=NN1)C(=O)NC2CCCN(C2)CC3=CC=CC=C3F)C 1 3.626 4 1 -3.58466440159932 24790079 COC1=CC=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)N4CCCCC4CCO 1 3.182 2 4 -8.42521083056373 24790078 CC1=C(SC=C1)C(=O)N2CCCC(C2)(CC3=CC=CC=C3)CO 1 3.591 1 2 1.87334500690103 24790077 CN(CCOC1=CC=CC=C1)C(=O)C2CCC(=O)N(C2)CCCN3CCCC3=O 1 0.743 3 4 0 -28.9714917853711 24790076 CCN1C=C(C(=N1)C)CN2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4 1 3.311 6 1 0 -31.8511523142498 24790075 CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCCC(C3)N4CCN(CC4)C5=CC=CC=C5C)C 1 4.943 4 1 5.91552576717918 24790074 CCN1C(=C(C(=N1)C)CN2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4)C 1 3.457 6 1 0 -31.875985471276 24790073 CN1C(=CC=N1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4 1 3.756 3 3 -5.25903653140331 24790072 COC(C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CCN(CC3)C(=O)C4=CC(=CC=C4)F 1 2.42 4 3 0 -46.1975356071 24790071 CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CCN(CC3)CC4=CN(N=C4)C 1 2.219 6 1 0 -28.4783343476524 24790070 CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)CCN3CCCC3=O 1 2.49 3 2 -20.860779038188 24790069 CC1=C(C=CC(=C1)CN2CCNC(=O)C2CC(=O)N(C)CCCN3CCOCC3)OC 1 0.789 4 4 0 -30.9956579378075 24790068 CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NCCN3CCCC(C3)O 1 2.196 3 4 0 -18.1292678713316 24790067 CC1=CC(=C(O1)C)C(=O)N2CCCC(C2)NC3=CC=C(C=C3)F 1 2.791 2 2 -9.952113824022 24790066 COC1=CC=C(C=C1)NC2CCCN(C2)C(=O)CCOC3=CC=CC=C3 1 3.258 2 3 -11.2596128393142 24790065 COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCCN(C3)CCCN4C=CC=N4 1 3.574 4 2 8.11995434495884 24790064 C1CC(CN(C1)CC2=C(C(=CC=C2)F)F)C(=O)NC3=CC=CC(=C3)N4C=CC=N4 1 3.932 4 1 8.37691803608094 24790063 COC1=CC=CC(=C1O)CN2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4 1 2.908 4 4 0 -26.2856755896188 24790062 CC1=C(C=CC(=C1OC)C2=NC(=C(O2)C)CN3CCN(CC3)C(=O)C4=CC=CO4)OC 1 2.816 3 5 0 13.2677958920854 24790061 COC1=CC=CC(=C1)NC(=O)CCC2CCN(CC2)C(=O)C3=CN=CS3 1 1.932 3 3 0 -19.3829718414393 24790060 COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCCN(C3)CC4=CC=CO4 1 3.979 2 3 10.1388171152986 24790059 C1CCCC(CC1)NC(=O)CC2C(=O)NCCN2CC3=CC=CC=C3F 1 2.745 3 2 -33.8732325306235 24790058 CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)CCN3CC4=CC=CC=C4C3=O 1 3.652 3 2 -15.3920976507442 24790057 CCC1=NOC(=C1C(=O)N2CCC(CC2)CCC(=O)NC3=CC=CC(=C3)C)C 1 3.237 3 3 -19.4038534511584 24790056 CC1=CSC(=N1)CN(C)C(=O)C2CCC(=O)N(C2)CCCC3=CC=CC=C3 1 2.271 3 2 -22.5620829038239 24790055 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)F)C 1 2.888 2 5 0 -6.20259086422581 24790054 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=CC=C5)C 1 2.683 2 5 0 -7.34418408184569 24790053 CC[C@]12[C@@H]3[C@H]([C@H](N1C(=O)N(C2=O)C4=CC(=CC=C4)F)C5=CC=C(C=C5)C)C(=O)N(C3=O)CC 1 3.324 3 4 0 1.11843819435557 24790052 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=CC=C5)C 1 2.683 2 5 0 -7.34418408184569 24790051 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]3(C(=O)N(C(=O)N3[C@@H]2C4=CC=CC=C4)C5=CC(=CC=C5)F)CC(C)C 1 3.546 3 4 0 0.522849017612165 24790050 C[C@]12[C@@H]3[C@H]([C@H](N1C(=O)N(C2=O)C4=CC(=CC=C4)F)C5=CC=C(C=C5)F)C(=O)N(C3=O)C6CCCCC6 1 4.03 3 4 0 -0.330837845656726 24790049 CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]3C(=O)NC4=CC=CC=C4C(=O)N3[C@@H]2C5=CC=C(C=C5)F 1 0.876 3 4 0 -4.35132974657057 24790048 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C 1 3.347 2 5 0 -5.09246919910424 24790047 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]3C(=O)NC4=CC=CC=C4C(=O)N3[C@@H]2C5=CC(=CC=C5)Cl 1 1.684 3 4 0 -6.96049242241792 24790046 CC1=CC=CC(=C1)[C@@H]2[C@H]3[C@@H]([C@H]4N2C(=O)C5=CC=CC=C5NC4=O)C(=O)N(C3=O)C 1 1.157 3 4 0 -5.72741324873218 24790045 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C)C 1 3.169 2 5 0 -6.91446788969106 24790044 CC1=CC=C(C=C1)[C@@H]2[C@H]3[C@@H]([C@H]4N2C(=O)C5=CC=CC=C5NC4=O)C(=O)N(C3=O)C 1 1.157 3 4 0 -5.06320677203582 24790043 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]3(C(=O)N(C(=O)N3[C@@H]2C4=CC=C(C=C4)C)C5=CC(=CC=C5)F)C 1 2.801 3 4 0 1.22353141210417 24790042 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C 1 3.347 2 5 0 -5.09246919910424 24790041 CC[C@]12[C@@H]3[C@H]([C@H](N1C(=O)N(C2=O)C4=CC(=CC=C4)F)C5=CC=C(C=C5)F)C(=O)N(C3=O)C6CCCCC6 1 4.553 3 4 0 -0.654230366612479 24790040 C1CCC(CC1)N2C(=O)[C@@H]3[C@H](C2=O)[C@@]4(C(=O)N(C(=O)N4[C@@H]3C5=CC=C(C=C5)Cl)C6=CC(=CC=C6)F)CC7=CC=C(C=C7)Cl 1 6.709 3 4 0 3.92308796112741 24790039 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC(=CC=C5)Cl)C)C=CC(=C3)OC 1 3.331 2 6 0 -3.33340684866059 24790038 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C(F)(F)F)C)C=CC(=C3)OC 1 3.609 2 6 0 -3.54410258062258 24790037 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)Br)C)C=CC(=C3)OC 1 3.415 2 6 0 -6.7745305224695 24790036 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C)C=C(C=C3)Br 1 4.096 2 5 0 -3.28888877760277 24790035 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@]1(C(=O)N(C4=O)C5=CC(=CC=C5)Cl)C)C=CC(=C3)OC 1 3.331 2 6 0 -3.33340684866059 24790034 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C)C=CC(=C3)OC 1 3.331 2 6 0 -5.31787077736806 24790033 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C)C)C=C(C=C3)Br 1 3.918 2 5 0 -5.11088746818958 24790032 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC(=CC=C5)Cl)C)C=CC(=C3)OC 1 3.331 2 6 0 -3.33340684866059 24790031 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C)C)C=CC(=C3)OC 1 3.153 2 6 0 -7.13986946795488 24790030 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)OC)C)C=C(C=C3)Br 1 3.415 2 6 0 -5.45281072869868 24790029 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C)C)C=C(C=C3)Br 1 3.918 2 5 0 -5.11088746818958 24790028 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC(=CC=C5)Cl)C)C=CC(=C3)OC 1 3.331 2 6 0 -3.33340684866059 24790027 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC(=CC=C5)Cl)C 1 3.347 2 5 0 -3.06556159269991 24790026 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC(=CC=C5)Cl)C)C=CC(=C3)OC 1 3.331 2 6 0 -3.33340684866059 24790025 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)OC)C)C=CC(=C3)OC 1 2.65 2 7 0 -7.76849628727716 24790024 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC(=CC=C5)Cl)C 1 3.347 2 5 0 -3.06556159269991 24790023 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C(F)(F)F)C 1 3.625 2 5 0 -3.31870100235876 24790022 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C)C=CC(=C3)OC 1 3.331 2 6 0 -5.31787077736806 24790021 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)F)C)C=C(C=C3)Br 1 3.637 2 5 0 -4.39901044272434 24790020 CCOC(=O)[C@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)Br)C)C=CC(=C3)OC 1 3.415 2 6 0 -6.7745305224695 24790019 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)F)C)C=CC(=C3)OC 1 2.872 2 6 0 -6.42799244248963 24790018 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)Br)C)C=C(C=C3)Br 1 4.18 2 5 0 -5.93720641040714 24790017 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)F)C)C=C(C=C3)Br 1 3.637 2 5 0 -4.39901044272434 24790016 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=CC=C5)C)C=C(C=C3)Br 1 3.431 2 5 0 -5.37219066333182 24790015 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)F)C)C=CC(=C3)OC 1 2.872 2 6 0 -6.42799244248963 24790014 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=CC=C5)C)C=C(C=C3)Br 1 3.431 2 5 0 -5.37219066333182 24790013 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C(F)(F)F)C)C=CC(=C3)OC 1 3.609 2 6 0 -3.54410258062258 24790012 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)F)C)C=CC(=C3)OC 1 2.872 2 6 0 -6.42799244248963 24790011 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)OC)C 1 2.667 2 6 0 -7.25639115020015 24790010 C[C@@]12[C@@H]([C@H]3COC4=CC=CC=C4[C@@H]3N1C(=O)N(C2=O)C5=CC(=CC=C5)Cl)C6=CC=CC=C6 1 4.805 2 3 1.99062872309686 24790009 C[C@@]12[C@@H]([C@H]3COC4=CC=CC=C4[C@H]3N1C(=O)N(C2=O)C5=CC=C(C=C5)C(F)(F)F)C6=CC=CC=C6 1 5.083 2 3 1.73748931343801 24790008 C[C@@]12[C@@H]([C@H]3COC4=CC=CC=C4[C@H]3N1C(=O)N(C2=O)C5=CC=CC=C5)C6=CC=CC=C6 1 4.14 2 3 -2.41261223108476 24790007 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC(=CC=C5)Cl)C)C=C(C=C3)Br 1 4.096 2 5 0 -1.3044248488953 24790006 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=CC(=C5)C)C)C=C(C=C3)Br 1 3.918 2 5 0 -3.36696258781884 24790005 C[C@@]12[C@@H]([C@H]3COC4=CC=CC=C4[C@H]3N1C(=O)N(C2=O)C5=CC=C(C=C5)F)C6=CC=CC=C6 1 4.346 2 3 -1.14640054842904 24790004 C[C@@]12[C@@H]([C@H]3COC4=CC=CC=C4[C@H]3N1C(=O)N(C2=O)C5=CC(=CC=C5)F)C6=CC=CC=C6 1 4.346 2 3 -0.221370054623934 24790003 CC1=CC(=CC=C1)N2C(=O)[C@]3([C@@H]([C@H]4COC5=CC=CC=C5[C@H]4N3C2=O)C6=CC=CC=C6)C 1 4.627 2 3 -7.19090158266765e-002 24790002 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC(=CC=C5)F)C)C=C(C=C3)Br 1 3.637 2 5 0 -3.51642362661609 24790001 CC1=CC(=CC=C1)N2C(=O)[C@@]3([C@@H]([C@H]4COC5=CC=CC=C5[C@H]4N3C2=O)C6=CC=CC=C6)C 1 4.627 2 3 -7.19090158266765e-002 24790000 C[C@@]12[C@@H]([C@H]3COC4=CC=CC=C4[C@H]3N1C(=O)N(C2=O)C5=CC=C(C=C5)Br)C6=CC=CC=C6 1 4.889 2 3 -1.49293862840891 24789999 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C(F)(F)F)C)C=C(C=C3)Br 1 4.374 2 5 0 -1.51512058085729 24789998 C[C@@]12[C@@H]([C@H]3COC4=CC=CC=C4[C@@H]3N1C(=O)N(C2=O)C5=CC=C(C=C5)Cl)C6=CC=CC=C6 1 4.805 2 3 -3.62788833074683e-002 24789997 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC(=CC=C5)F)C)C=C(C=C3)Br 1 3.637 2 5 0 -3.51642362661609 24789996 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C(F)(F)F)C)C=C(C=C3)Br 1 4.374 2 5 0 -1.51512058085729 24789995 C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]4C(=O)NC5=CC=CC=C5C(=O)N4[C@@H]3C6=CC(=CC=C6)Br 1 3.003 3 4 0 -8.28447453390067 24789994 CCC1=CC=CC=C1NC(=O)CCCN2C(=O)C3CC=CCC3C2=O 1 2.583 2 3 -12.06326866673 24789993 C1=CC(=CC=C1/C=C/C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=NC=C3)[N+](=O)[O-] 1 3.326 4 5 0 -11.1520469853519 24789992 CCCCOC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OCC)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 4.28 4 4 0 -10.2582487115861 24789991 C1CCC2=NC3=C(N2CC1)N=CN=C3N4CCC(CC4)C(=O)NC5=CC=CC=N5 1 2.127 7 1 0 1.35119565233328 24789990 C1C2C(CS1(=O)=O)SC(=N2)NC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl 1 3.154 3 3 -8.36061391141135 24789989 CC(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3 1 3.683 3 3 -10.6636433714535 24789988 C1=CC=C(C(=C1)COC(=O)CCCC2=NS(=O)(=O)C3=CC=CC=C3N2)C#N 1 2.521 3 4 0 -16.4704259418828 24789987 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)NC4=NC5CS(=O)(=O)CC5S4 1 2.642 5 5 0 -10.0674727588538 24789986 CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3)C 1 3.462 3 3 -11.4982471669469 24789985 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3 1 2.44 3 6 0 -16.1305093683723 24789984 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3 1 2.473 3 4 0 -11.3600692772493 24789983 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3 1 2.456 3 5 0 -13.6804837988535 24789982 C1CC(OC1)CN2CC3=CC=CC(=C3C2=O)C(=O)NC4=CC=C(C=C4)F 1 2.346 2 3 -12.5664227543234 24789981 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=C(C=C3)N4CC5CC(C4)C6=CC=CC(=O)N6C5)N 1 2.061 6 4 0 -6.65311551777646 24789980 CC1CN(C2=C(O1)C=CC(=C2)S(=O)(=O)NC(CC(=O)O)C3=CC=C(C=C3)OC)C(=O)C 1 1.572 2 7 0 -17.7457224550545 24789979 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NC(CC(=O)O)C3=CC=C(C=C3)Br 1 2.609 2 5 0 -20.4771429407823 24789978 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CCC(=O)NCCC4=CC=CC=C4 1 3.12 3 3 -28.2523004844889 24789977 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CCC(=O)NC(C)C 1 2.649 3 3 -35.2037798783313 24789976 CCCCNC(=O)CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3 1 2.544 3 3 -30.5297242804028 24789975 C1COCCN1CCCN(CC2=CC=CS2)C(=S)NCC(=O)NCC3=CC=CC=C3 1 3.049 4 2 -16.9491627976188 24789974 CCC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)NCC3CCCO3)N4CC5CC(C4)C6=CC=CC(=O)N6C5 1 3.073 5 4 0 -19.1245813965936 24789973 CC(C1=CC=CC=C1)NC(=O)CCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 3.176 3 3 -29.8915290241374 24789972 CC1=CC=CC=C1CCNC(=O)CCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 3.606 3 3 -29.1942865172444 24789971 CC1CCCCC1NC(=O)CCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 3.393 3 3 -29.2513017998797 24789970 COC1=CC=C(C=C1)CNC(=O)CCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 2.782 3 4 0 -28.4420053007191 24789969 COC1=CC=CC(=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)NCC3CCCO3)N4CC5CC(C4)C6=CC=CC(=O)N6C5 1 2.114 5 5 0 -19.0812419794926 24789968 CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCN3CC(CC(C3)C)C 1 0.742 5 5 0 -25.4287674784171 24789967 CCC1CCCCN1CCCNC(=O)C2CCCN(C2)S(=O)(=O)N3CCN(CC3)C(=O)OCC 1 1.004 5 5 0 -22.5965214341117 24789966 CCC(C)NC(=O)CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3 1 2.465 3 3 -32.9874653012751 24789965 CC1CCC(CC1)NC(=O)CCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 3.325 3 3 -28.406506250507 24789964 CC1=CC=C(C=C1)CCNC(=O)CCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 3.606 3 3 -27.4374855797093 24789963 CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 0.857 4 7 0 -23.9276725490171 24789962 CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCN3CCCCC3 1 0.103 5 5 0 -20.5904930646136 24789961 CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCN3CCC(CC3)C 1 0.355 5 5 0 -23.2138679489723 24789960 C1COCCN1CCCNC(=O)CN2C3=CC=CC=C3S/C(=C\C4=CC=C(C=C4)C(F)(F)F)/C2=O 1 3.172 3 3 -7.91654912929147 24789959 C1COCCN1CCCNC(=O)CN2C3=CC=CC=C3S/C(=C\C4=CC=CC=C4)/C2=O 1 2.229 3 3 -11.8526728307205 24789958 CCC(C(=O)NC1=CC=CC=C1F)N2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4 1 3.69 5 2 0 -9.61082851572492 24789957 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCC(=O)NCCC4=CC=CC=C4Cl)C 1 3.717 5 2 0 -14.0594300273665 24789956 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCC(=O)NCCC4=C(C=CC(=C4)OC)OC)C 1 3.02 5 4 0 -14.7840296690054 24789955 CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3Cl 1 1.233 4 5 0 -20.6940207149236 24789954 CCOC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)N3CCN(CC3)C(=O)OCC)OCC 1 1.554 4 7 0 -24.8197789581667 24789953 CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NC(C)C3=CC=CC=C3 1 0.946 4 5 0 -18.7227435124636 24789952 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCC(=O)NCCC4=CC=CC=C4OC)C 1 3.036 5 3 0 -16.7338270876792 24789951 CCOC1=CC=C(C=C1)CCNC(=O)CCN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4 1 3.385 5 3 0 -12.9688012322834 24789950 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCC(=O)NCC4=C(C=CC(=C4)OC)OC)C 1 2.699 5 4 0 -13.5667588274423 24789949 CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=C(C=C3)Cl 1 1.554 4 5 0 -17.7656358695521 24789948 CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)OC 1 0.552 4 6 0 -19.6723045449492 24789947 COC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)NCC3CCCO3 1 0.905 3 4 0 -20.3065373399065 24789946 COC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)NC3CCCCCC3 1 2.861 3 3 -13.8573723201061 24789945 C1CN(CCN1CCC(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.888 4 5 0 -20.6186380030864 24789944 CC1=C(C=CC=C1[N+](=O)[O-])NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3 1 0.954 4 6 0 -12.9522100375832 24789943 C1CC(OC1)CNC(=O)CN2C3=CC=CC=C3O/C(=C/C4=CC(=CC=C4)Br)/C2=O 1 2.889 2 4 -12.039528676471 24789942 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=C(C(=C(C=C4)OC)OC)OC 1 3.716 3 6 0 -5.99184612857094 24789941 C1CC(OC1)CNC(=O)CCN2C(=O)CCC(=N2)C3=CC=CC=C3 1 0.922 3 3 0 -20.3680875470776 24789940 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCC(=O)NCC4=CC(=C(C(=C4)OC)OC)OC)C 1 2.682 5 5 0 -17.0575393728492 24789939 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NC4=CC=CC=C4Cl)C 1 3.625 5 2 0 -7.99237595069931 24789938 C1CC(=O)N(N=C1C2=CC=CC=C2)CCC(=O)NCCCN3CCOCC3 1 0.452 4 3 0 -18.6114696722925 24789937 CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7 1 4.943 6 3 0 -4.66944430070717 24789936 CCOC(=O)CC(C1=CC=C(C=C1)C)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C(=O)N3C)C 1 1.699 3 7 0 -23.5620309515092 24789935 C1=CC(=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3 1 1.907 4 5 0 -7.00263321892915 24789934 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2COC3=CC=CC=C3O2 1 2.584 2 6 0 -7.334745481055 24789933 COC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.706 3 5 0 -5.89465831854392 24789932 CCC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)NC3CCCCCC3 1 3.82 3 2 -13.6838442467411 24789931 CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=C4F)C(=O)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7 1 5.148 6 3 0 -3.83492975905087 24789930 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC(=CN=C3N)Br 1 1.258 5 4 0 -9.90666572535364 24789929 C1CN(CCC12OCCO2)C(=O)C3=CC4=C(C=C3)S/C(=C\C5=CC=CC=C5)/C(=O)N4 1 2.554 2 4 -9.51967227232502 24789928 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)S/C(=C/C4=CC(=C(C=C4)OC)OC)/C(=O)N3 1 2.665 3 6 0 -12.0501838311019 24789927 C1COCCN1C(=O)C2=CC3=C(C=C2)S/C(=C\C4=CC=CC=C4)/C(=O)N3 1 2.176 2 3 -8.80894840831536 24789926 CC1=CC=CC(=C1)/C=C\2/C(=O)N(C3=C(S2)C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C 1 2.655 3 3 -5.27850316806392 24789925 COC1=CC=CC=C1N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC(=CN=C3N)Br 1 1.258 5 4 0 -11.6876636398277 24789924 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 1 4.27 4 5 0 -6.59263199144718 24789923 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCCN4CCOCC4)OCC 1 3.487 4 5 0 -15.5993110637314 24789922 CCN1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl 1 3.898 4 3 0 -6.16239739560965 24789921 COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.377 3 6 0 -11.9690567074058 24789920 COC1=C(C=C(C=C1)CCNC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br)OC 1 1.311 4 5 0 -21.3957704234178 24789919 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC(=C(C=C4)OC)OC 1 2.265 4 7 0 -13.9466153023158 24789918 COC1=C(C=C(C=C1)Cl)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.525 3 4 0 -17.4689948602094 24789917 C1COCCN1CCCNC(=O)CN2C3=CC=CC=C3S/C(=C\C4=CC=CC=C4F)/C2=O 1 2.435 3 3 -9.99682883012265 24789916 CN1C2=C(C=CC(=C2)C(=O)NC3CC3)S/C(=C\C4=CC(=C(C=C4)OC)OC)/C1=O 1 2.946 2 4 -13.2655415518712 24789915 CC1=CC=CC(=C1)/C=C\2/C(=O)N(C3=C(S2)C=CC(=C3)C(=O)N4CCOCC4)C 1 2.868 2 3 -6.95538113420593 24789914 CN1C2=C(C=CC(=C2)C(=O)N3CCCC3)S/C(=C\C4=CC=CC=C4F)/C1=O 1 3.361 2 2 -4.39121504052185 24789913 C1=CC(=CN=C1)C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)F 1 1.074 4 2 0 -8.01549538597681 24789912 CCOC(=O)C1CCCN(C1)C(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.317 3 5 0 -23.7756738490851 24789911 COC1=C(C=C(C=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)Cl 1 1.525 3 4 0 -17.922620329675 24789910 COC1=C(C=C(C=C1)CCN2C(=O)C(NC2=O)(C(F)(F)F)NS(=O)(=O)C3=CC=CC=C3)OC 1 2.876 3 6 0 -8.73498712662068 24789909 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)S/C(=C\C4=CC=CC=C4Cl)/C(=O)N3C 1 4.17 2 4 -8.5514448754055 24789908 C1COCCN1CCCNC(=O)CN2C3=CC=CC=C3S/C(=C/C4=CC=CC=C4Cl)/C2=O 1 2.894 3 3 -9.22764801038893 24789907 CN1C2=C(C=CC(=C2)C(=O)NCC3CCCO3)S/C(=C\C4=CC(=CC=C4)OC)/C1=O 1 2.831 2 4 -13.8245434190139 24789906 CN1C2=C(C=CC(=C2)C(=O)N3CCOCC3)S/C(=C\C4=CC(=CC=C4)Cl)/C1=O 1 3.047 2 3 -5.49201702416008 24789905 CC1=CC=C(C=C1)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CC(=O)NCC4CCCO4 1 3.185 2 3 -13.5019593075416 24789904 CN1C2=C(C=CC(=C2)C(=O)N3CCCC3)S/C(=C\C4=CC(=C(C=C4)OC)OC)/C1=O 1 3.123 2 4 -10.8467044336684 24789903 CCCCN1C2=C(C=C3C(=C2)N=C(C(=O)N3)C(C)C)N=C1C4=CC(=C(C=C4)Cl)Cl 1 6.267 4 1 -6.37628806349398 24789902 CCCCN1C2=C(C=C3C(=C2)N=C(C(=O)N3)C(C)C)N=C1C4=CC=C(C=C4)C#N 1 4.817 5 1 -9.67825275647383 24789901 CCCCN1C2=C(C=C3C(=C2)N=C(C(=O)N3)C(C)C)N=C1C4=CC=CC5=CC=CC=C54 1 5.846 4 1 -6.29535338251736 24789900 CCCCN1C2=C(C=C3C(=C2)N=C(C(=O)N3)C(C)C)N=C1CCC4=CC=CC=C4 1 5.429 4 1 -11.2539921865077 24789899 CCCCN1C2=C(C=C3C(=C2)N=C(C(=O)N3)C(C)C)N=C1C4=CN=CC=C4 1 3.787 5 1 -9.17216505715942 24789898 CCCCN1C2=C(C=C3C(=C2)N=C(C(=O)N3)C(C)C)N=C1C4=CC(=CC=C4)Br 1 5.686 4 1 -5.92352103407436 24789897 CCCCN1C2=C(C=C3C(=C2)N=C(C(=O)N3)C(C)C)N=C1C4CCCCC4 1 5.4 4 1 -11.9690146906023 24789896 C1CCCC(CCC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=CC(=CN=C3)Cl 1 5.272 4 5 0 -5.4553517994457 24789895 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=CC(=CC(=C3F)F)F 1 4.4 4 5 0 -1.71714893971965 24789894 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=CC(=CN=C3)Cl 1 3.297 5 5 0 -4.7958885010061 24789893 CC1=C(C=CC(=C1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1 4.164 5 7 0 -4.73941984548993 24789892 CC1(CC2=C(O1)C(=CC=C2)OC3=C(C=C(C(=C3)NN4CCCCC4)[N+](=O)[O-])[N+](=O)[O-])C 1 4.424 4 6 0 -6.12496961647937 24789891 CCCC1=CC=C(C=C1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-] 1 5.182 4 5 0 -0.168843200012084 24789890 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=CC(=CC(=C3)F)F 1 4.194 4 5 0 -0.509416806670212 24789889 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=CC(=CC(=C3)Cl)Cl 1 5.112 4 5 0 -1.82363705432433 24789888 CC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-])OC 1 3.507 4 7 0 -9.20402872482305 24789887 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=CC=CC4=CC=CC=C43 1 4.692 4 5 0 -1.43222064767994 24789886 CC1=CC(=C(C=C1)F)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-] 1 4.475 4 5 0 -1.20134741044051 24789885 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=CC(=C3F)F)F 1 4.4 4 5 0 -2.92381539894051 24789884 CC(=O)C1=CC=CC=C1OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-] 1 3.523 4 6 0 -8.43894692821518 24789883 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)NC4CC3(OC5=CC=CC=C45)C 1 2.402 4 5 0 -10.6844795310936 24789882 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 2.272 2 5 0 -19.035610294288 24789881 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC)NC1=O 1 1.375 3 7 0 -17.0098081708905 24789880 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)S/C(=C\C4=CC(=CC=C4)OC)/C(=O)N3C 1 2.835 3 5 0 -10.3672178806415 24789879 CN1C2=C(C=CC(=C2)C(=O)NCCCN3CCCC3)S/C(=C\C4=CC(=C(C=C4)OC)OC)/C1=O 1 3.118 3 4 0 -13.3292370714329 24789878 CN1C2=CC(=C(C=C2N(C1=O)C)N3CCCCC3)NC(=O)C4=CC=C(C=C4)F 1 3.174 4 2 -9.42106775861717 24789877 C1COCCN1CCCNC(=O)C2=CC=C(C=C2)/C=C\3/C(=O)N(C4=CC=CC=C4O3)CC5=CC=CC=C5F 1 3.608 3 4 0 -10.2885456071979 24789876 CCC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)OCC)SC4=C1C=C(C=C4)C 1 4.471 3 3 -7.19239751671786 24789875 CCOC(=O)C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)NC(=O)C4=CC=CC=C4 1 2.727 4 4 0 -12.822822196437 24789874 CN1C2=CC(=C(C=C2N(C1=O)C)N3CCCCC3)NC(=O)C4=CC(=CC=C4)Cl 1 3.633 4 2 -7.79986924415939 24789873 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=CC=CC=C4OCC 1 3.542 4 3 0 -8.73407076161933 24789872 CN1C2=C(C=CC(=C2)C(=O)N3CCOCC3)S/C(=C\C4=CC=C(C=C4)OC)/C1=O 1 2.366 2 4 -8.41084639712318 24789871 CC1=CC(=C(C(=C1)Br)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-])Br 1 5.766 4 5 0 -1.40986674866286 24789870 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl 1 5.852 4 6 0 -1.53000033384316 24789869 COC1=CC=CC(=C1OC)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-] 1 3.75 4 7 0 -4.84724701615155 24789868 CC1=C(C=CC=C1OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1 4.164 5 7 0 -2.64880655024326 24789867 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=C(N=CC=C3)Br 1 3.615 5 5 0 -3.31575574785822 24789866 CC(=O)C1=CC(=CC=C1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-] 1 3.523 4 6 0 -5.48950738306465 24789865 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3F)F)F 1 4.4 4 5 0 -1.54977025503584 24789864 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=CC=C(C=C3)F 1 3.989 4 5 0 -0.612576964079262 24789863 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=CC=CC4=C3CCCC4 1 5.296 4 5 0 -4.54345137878802 24789862 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=CC=C3F)F 1 4.194 4 5 0 -3.4366997704247 24789861 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3)Br)Br 1 5.28 4 5 0 -0.166993539490528 24789860 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC3=C(C=C(C(=C3)NN4CCCCC4)[N+](=O)[O-])[N+](=O)[O-] 1 3.162 6 6 0 -3.6830464492716 24789859 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=CC=CC=C3F 1 3.989 4 5 0 -1.27476509139022 24789857 COC1=C(C=C(C(=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F)Br)OC.[Cl-] Cl- 1 6.031 3 2 -0.862173228605432 24789855 C1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C(C=CC=C3Cl)Cl)C4=CC=C(C=C4)F.[Cl-] Cl- 1 6.644 3 0 0.162430604251208 24789853 COC1=C(C=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F)Br.[Cl-] Cl- 1 6.047 3 1 1.91312183780225 24789852 COC1=CC(=C(C=C1)N2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC(=O)N5CCOCC5)/C(=O)NC2=O)OC 1 2.067 4 7 0 -11.9028857076172 24789851 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=C(C(=CC=C3)OC)OCC4=CC=CC(=C4)C(=O)O)/NC2=O 1 3.245 3 7 0 -10.7048638168072 24789794 CN1C2=CC(=C(C=C2N(C1=O)C)N3CCCCC3)NC(=O)C4=CC(=C(C=C4)OC)OC 1 2.936 4 4 0 -15.2437530379105 24789795 CN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)/C=C\3/C(=O)N(C4=CC=CC=C4O3)CC5=CC=CC=C5F 1 3.878 4 3 0 -5.89556430592096 24789796 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=CC=CC=C4C 1 3.696 4 2 -9.44036297824235 24789797 CN1C2=CC(=C(C=C2N(C1=O)C)N3CCOCC3)NC(=O)C4=CC(=CC=C4)OC 1 1.722 4 4 0 -12.8226669704219 24789798 CN1C2=CC(=C(C=C2N(C1=O)C)N3CCOCC3)NC(=O)C4=CC(=CC=C4)Cl 1 2.403 4 3 0 -9.38895536687216 24789799 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)Cl)C(=N3)C 1 3.982 3 3 -2.89060900418073 24789800 CN1C2=C(C=CC(=C2)C(=O)NCC3CCCO3)S/C(=C\C4=CC=C(C=C4)OC)/C1=O 1 2.831 2 4 -13.8017993753984 24789801 CN1C2=CC(=C(C=C2N(C1=O)C)N3CCOCC3)NC(=O)C4=CC(=C(C=C4)OC)OC 1 1.706 4 5 0 -16.8328391606232 24789802 CN1C2=CC(=C(C=C2N(C1=O)C)N3CCOCC3)NC(=O)C4=CC=C(C=C4)F 1 1.944 4 3 0 -11.0101538813299 24789803 CC1=CC(=C(C=C1)NC(=O)C2=CC3=NSN=C3C=C2)C 1 3.715 3 1 -4.08285538036654 24789804 CN1C2=C(C=CC(=C2)C(=O)NCCN3CCCCCC3)S/C(=C\C4=CC=C(C=C4)OC)/C1=O 1 3.984 3 3 -9.13229514659668 24789805 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=C(C=CC=C4F)F 1 3.621 4 2 -8.41019361692259 24789806 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3F)OCC4=CC=C(C=C4)C(=O)O 1 2.981 3 6 0 -11.0060637470455 24789807 CC(C)C1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=C(C(=O)C3=CC=CC=C32)NS(=O)(=O)C4=CC=CC=C4 1 3.909 2 5 0 -1.98527515161578 24789808 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NC3=CC=C(C=C3)OC(F)(F)F)C 1 3.22 3 4 0 -7.78878408889776 24789809 CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=CC(=C(C=C3Br)OC)OC)C4=CC=CC=C4.[Cl-] Cl- 1 6.295 3 3 -1.10163974099506 24789811 C1=CC=C(C=C1)[N+]2=C(SC(=N2)NC3=CC=CC4=CC=CC=C43)C5=C6C=CC=CC6=CC7=CC=CC=C75.[Cl-] Cl- 1 7.835 3 0 1.46033742256952 24789813 CSC1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5.[Cl-] Cl- 1 6.56 3 0 5.83137478065107 24789815 CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4.[Cl-] Cl- 1 5.682 3 2 -0.255171300150386 24789817 CCOC1=C(C=CC(=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F)OC.[Cl-] Cl- 1 5.631 3 2 -2.1748450855309 24789850 CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCN(CC3)C(=O)OCC)SC4=C1C=C(C=C4)C 1 4.419 3 3 -10.4844349263827 24789849 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C 1 3.265 3 3 -8.61199498902481 24789848 CCOC(=O)C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)NC(=O)C4=CC=CC=C4Br 1 3.476 4 4 0 -11.3539629087335 24789847 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=CC(=CC=C4)C 1 3.696 4 2 -6.76735252656885 24789846 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=C(C=CC(=C4)Br)OC 1 3.942 4 3 0 -6.45360997087553 24789845 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=CC=CC=C4 1 3.21 4 2 -7.60101306411455 24789844 CN1C2=CC(=C(C=C2N(C1=O)C)N3CCCC3)NC(=O)C4=CC(=CC=C4)OC 1 2.496 4 3 0 -10.8791123335411 24789843 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=CC(=C(C=C4)OCC)OCC 1 3.875 4 4 0 -12.9591837786975 24789842 C1COCCN1CCNC(=O)C2=CC=C(C=C2)/C=C\3/C(=O)N(C4=CC=CC=C4S3)CC5=CC=C(C=C5)F 1 4.104 3 3 -6.96865590926757 24789841 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=C(C=CC(=C4)Cl)OC 1 3.858 4 3 0 -5.63398689849244 24789840 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=CC(=CC=C4)Cl 1 3.874 4 2 -4.47228995668218 24789839 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=CC(=CC=C4)OC 1 3.193 4 3 0 -7.90600156023195 24789838 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=CC=CC=C4F 1 3.415 4 2 -8.2432108886015 24789837 C1COCCN1CCNC(=O)C2=CC=C(C=C2)/C=C\3/C(=O)N(C4=CC=CC=C4S3)CC5=CC=CC=C5F 1 4.104 3 3 -9.53293602662824 24789835 C1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)F.[Cl-] Cl- 1 4.945 3 2 -0.350793620223502 24789833 C1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C(C(=CC=C3)Cl)Cl)C4=CC=C(C=C4)F.[Cl-] Cl- 1 6.644 3 0 2.29480285621186 24789831 COC1=C(C(=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F)OC)OC.[Cl-] Cl- 1 5.266 3 3 -1.92244233029046 24789829 COC1=CC(=C(C=C1C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F)OC)OC.[Cl-] Cl- 1 5.266 3 3 -2.00383004535754 24789827 COC1=C(C2=CC=CC=C2C=C1)C3=[N+](N=C(S3)NC4=CC=CC=C4)C5=CC=C(C=C5)F.[Cl-] Cl- 1 6.207 3 1 2.04620246369873 24789825 CCN(CC)C1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F.[Cl-] Cl- 1 6.175 4 0 -2.02146183883469 24789823 CC1=C(C=CC(=C1C)OC)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F.[Cl-] Cl- 1 6.271 3 1 4.69010654189553 24789821 CSC1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F.[Cl-] Cl- 1 5.857 3 0 5.13832734150637 24789819 C1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C4C=CC=CC4=CC5=CC=CC=C53)C6=CC=C(C=C6)F.[Cl-] Cl- 1 7.132 3 0 2.27584292999416 24789793 CCN1C2=CC(=C(C=C2N(C1=O)CC)N3CCCC3)NC(=O)C4=CC=CC=C4Br 1 3.958 4 2 -6.13215377641102 24789792 CN1C2=CC(=C(C=C2N(C1=O)C)N3CCCC3)NC(=O)C4=CC(=CC=C4)F 1 2.718 4 2 -9.09378106084663 24789791 CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=CC=CC=C3OC2=O)NC 1 2.977 2 4 -2.82582294239625 24789790 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(N=C3N(C2=O)C(=CS3)C)C 1 -6.1e-002 4 5 0 -23.0180143642951 24789789 CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C 1 1.017 6 5 0 -10.0703329637132 24789788 CC1=CC(=C(C=C1)C)S(=O)(=O)/N=C/2\C=C(C(=O)C3=CC=CC=C32)NS(=O)(=O)C4=CC=CC=C4 1 3.687 2 5 0 -0.91791513707039 24789787 CCCN(CCC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=C/C(=C\C3=CC=CC=C3)/C 1 3.71 9 2 0 -28.0395247018044 24789786 CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=C/C=C/C3=CC=CC=C3 1 1.518 9 2 0 -18.599966122128 24789785 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-] 1 3.59 4 4 0 -6.69571061733771 24789784 CC1CCCCC1NCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC(=C3)OC)OC 1 3.244 4 6 0 -19.0108545610189 24789783 C1=CC=C(C(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CNCC3=CC=CC=N3)F 1 1.953 5 4 0 -12.800250462255 24789782 CC1=NC2=CC3=C(C=C2NC1=O)N=C(N3CC4CCCCC4)C5CCCCC5 1 5.131 4 1 -11.5763740636922 24789781 CCC1=CC=C(C=C1)C2=NC3=C(N2CC4CCCCC4)C=C5C(=C3)NC(=O)C(=N5)C 1 5.611 4 1 -8.05021504320593 24789780 CCCCN1C2=C(C=C3C(=C2)N=C(C(=O)N3)C(C)C)N=C1C4=CC(=C(C=C4)F)F 1 5.349 4 1 -6.69190213392696 24789779 CCCCN1C2=C(C=C3C(=C2)N=C(C(=O)N3)C(C)C)N=C1C4=CC=C(C=C4)C(C)(C)C 1 6.338 4 1 -4.47437945769184 24789778 CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CCCC3=CC=CC=C3 1 1.542 9 2 0 -23.5604280963804 24789777 COC1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CNCC3=CC=CC=N3)OC 1 1.714 5 6 0 -15.5866618169938 24789776 COC1=CC=C(C=C1)C(=O)/C=C\2/C(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCN(CC4)C5CCCCC5 1 3.441 4 4 0 -8.25841569149432 24789775 CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)C#N)C 1 3.032 7 2 0 -18.5348493736698 24789774 COC1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CNC3CCCCC3)OC 1 2.925 4 6 0 -13.5813228729941 24789773 CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\C3=CC(=C(C=C3)OC(=O)C4=CC=CO4)OC)/C(=N)N21 1 4.153 4 7 0 -21.1915141203319 24789772 CCS(=O)(=O)C1=NN2C(=N)/C(=C\C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)/C(=O)N=C2S1 1 4.1 4 6 0 -27.1071407992515 24789771 CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\C3=CC=C(C=C3)OC(=O)C4=CC=CO4)/C(=N)N21 1 4.17 4 6 0 -18.6240802366026 24789770 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CS3 1 2.551 2 5 0 -19.1610584780691 24789769 CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\C3=CC=C(C=C3)OC(=O)C4=CC=CO4)/C(=N)N21 1 4.635 4 6 0 -21.3910883923963 24789768 CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C\C3=CC(=C(C=C3)OC(=O)C4=CC=CO4)OC)/C(=O)N=C2S1 1 4.619 4 7 0 -27.529168765639 24789767 CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)OC(=O)C4=CC=CO4 1 4.125 4 7 0 -23.6193376297153 24789766 CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\C3=CC(=C(C=C3)OC(=O)C4=CC=CO4)OC)/C(=N)N21 1 3.776 4 7 0 -22.9445216608753 24789765 CCS(=O)(=O)C1=NN2C(=N)/C(=C\C3=CC(=C(C=C3)OC(=O)C4=CC=CO4)Br)/C(=O)N=C2S1 1 4.541 4 6 0 -23.0690855097889 24789764 CCOC1=C(C=C(C=C1)C(CC(=O)OCC)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O)OC 1 1.946 2 9 0 -26.1309516052269 24789763 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=C(O3)Br 1 3.374 3 7 0 -23.2473038408308 24789762 COC1=CC=CC=C1C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NC(CC3=CC=CC=C3)C(=O)O 1 3.5 2 5 0 -22.3769840385387 24789761 CN(C1=CC=C(C=C1)C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 3.271 4 5 0 -14.3480933377832 24789760 COC1=C(C=CC(=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)S(=O)(=O)C)OS(=O)(=O)C4=CC=CC=C4 1 3.735 4 7 0 -25.7865735670324 24789759 CCS(=O)(=O)C1=NN2C(=N)/C(=C\C3=CC(=C(C=C3)OC(=O)C4=CC=CO4)OC)/C(=O)N=C2S1 1 3.776 4 7 0 -26.5151681503888 24789758 CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)OC(=O)C4=CC=CO4 1 4.502 4 7 0 -22.0846293923789 24789757 CC(=O)OC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3 1 3.144 3 5 0 -14.0568767556846 24789755 CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=C(C(=C(C=C3)OC)OC)OC)C4=CC=CC=C4.[Cl-] Cl- 1 5.53 3 4 0 -1.79271953177261 24789753 CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=CC=C(C=C3)NC(=O)C)C4=CC=CC=C4.[Cl-] Cl- 1 4.7 4 2 -2.85045335459277 24789751 CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC(=CC=C3)C)C4=CC=CC=C4.[Cl-] Cl- 1 6.538 3 0 5.99870191886383 24789749 CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=C(C(=CC=C3)Cl)Cl)C4=CC=CC=C4.[Cl-] Cl- 1 6.908 3 1 1.6605661924632 24789747 CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C4.[Cl-] Cl- 1 6.912 4 0 -1.70754021555442 24789745 CCOC1=C(C=CC(=C1)C2=[N+](N=C(S2)NC3=C(C=CC(=C3)C)OC)C4=CC=CC=C4)OC.[Cl-] Cl- 1 5.895 3 3 -2.1849601912347 24789743 CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC(=C(C=C3)OC)Br)C4=CC=CC=C4.[Cl-] Cl- 1 6.784 3 1 2.00874415787537 24789741 CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC(=C(C=C3Br)OC)OC)C4=CC=CC=C4.[Cl-] Cl- 1 6.767 3 2 -0.766550908532315 24789739 CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4.[Cl-] Cl- 1 7.381 3 0 0.258052924324325 24789738 CC1=CC=CC(=N1)C=NNC(=O)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3 1 4.559 3 2 -3.19170310818099 24789737 CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)N2CCOCCOCCOCCOCC2 1 1.115 2 7 0 -20.8292261589587 24789736 CC1=CC=CC(=N1)C=NNC(=O)C2=CC=CC=C2OCC3=CC(=CC=C3)Br 1 4.559 3 2 -4.83980028474688 24789735 CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=C(C=C4)OC)C(=O)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7 1 4.927 6 4 0 -4.82110731470907 24789734 C1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3 1 2.407 3 5 0 -19.170187295097 24789732 CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)/C=C/C3=CC=CC=C3)C4=CC=CC=C4.[Cl-] Cl- 1 6.52 3 0 3.22250880455614 24789730 CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=C(C=CC4=CC=CC=C43)OC)C5=CC=CC=C5.[Cl-] Cl- 1 6.471 3 2 2.17592526221657 24789728 CC1=CC(=C(C=C1)OC)[NH+]=C2NN(/C(=C\3/C=C(C=C(C3=O)OC)[N+](=O)[O-])/S2)C4=CC=CC=C4.[Cl-] Cl- 1 4.902 4 5 0 0.640613241653362 24789726 CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5.[Cl-] Cl- 1 7.619 3 1 1.76346093637412 24789724 CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=CC=C(C=C3)SC)C4=CC=CC=C4.[Cl-] Cl- 1 6.121 3 1 4.50409067775772 24789722 CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4.[Cl-] Cl- 1 5.209 3 3 -0.985030283972161 24789720 CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4.[Cl-] Cl- 1 6.908 3 1 -0.47180605949745 24789718 CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)SC)C4=CC=CC=C4.[Cl-] Cl- 1 6.594 3 0 5.23394966157949 24789716 C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=[N+](N=C(S3)NC4=CC=CC=C4)C5=CC=CC=C5.[Cl-] Cl- 1 6.677 3 1 1.68838602522815 24789714 CC1=C(C=CC(=C1C)OC)C2=[N+](N=C(S2)NC3=CC=CC4=CC=CC=C43)C.[Cl-] Cl- 1 5.397 3 1 7.70359169225367 24789712 COC1=C(C=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4)Br.[Cl-] Cl- 1 5.841 3 1 1.79849669323286 24789710 CN1C(=C2C=CC(=O)C=C2)SC(=[NH+]C3=CC=CC=C3)N1.[Cl-] Cl- 1 2.911 3 1 -0.783618478852277 24789708 C1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4.[Cl-] Cl- 1 4.739 3 2 -0.465418764792894 24789707 COC1=C/C(=C/NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3)/C=CC1=O 1 1.479 3 4 0 -6.29514536381824 24789706 CC1=C(N=NN1C2=NON=C2N)C(=O)NN/C=C/3\C(=O)C=CC4=CC=CC=C43 1 0.526 8 3 0 -20.5114556349313 24789705 COCC1=C(N=NN1C2=NON=C2N)C(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 -0.111 9 3 0 -21.7275826275117 24789704 C1=CC=C(C=C1)CC(=O)NCC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 1.75 4 4 0 -9.46887800878104 24789703 CC1=CC=CC(=N1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 3.234 4 2 -5.52933267391217 24789702 C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CN=CC=C3)Cl 1 2.981 4 2 -8.53381035654701 24789700 CC1=C(C=CC(=C1C)OC)C2=[N+](N=C(S2)NC3=CC=CC=C3)C.[Cl-] Cl- 1 4.489 3 1 7.02053757357542 24789698 CC1=CC(=C(C=C1)OC)[NH+]=C2NN(/C(=C\3/C=CC(=O)C=C3O)/S2)C.[Cl-] Cl- 1 2.843 3 3 -1.22273348050331 24789696 CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=NC=C3)C.[Cl-] Cl- 1 3.325 4 0 4.52366400986836 24789694 CC(=O)NC1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5.[Cl-] Cl- 1 5.138 4 1 -1.52316925169942 24789692 CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=C4C=CC=CC4=CC5=CC=CC=C53)C.[Cl-] Cl- 1 5.819 3 1 3.82220607323731 24789690 C1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C(C(=CC=C3)Cl)Cl)C4=CC=CC=C4.[Cl-] Cl- 1 6.438 3 0 2.18017771164246 24789688 CC(=O)NC1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C.[Cl-] Cl- 1 2.653 4 1 0.114214340835781 24789686 CSC1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4.[Cl-] Cl- 1 5.651 3 0 5.02370219693698 24789685 CC1=CC=CC(=N1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl 1 3.692 4 2 -5.25071499829169 24789684 CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC4=C(C=C3)OCO4 1 3.722 3 4 0 -8.63093706239818 24789683 CC(=NNC(=O)CNC(=O)/C=C\C1=CC=CC=C1OC)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.069 4 5 0 -15.659158620966 24789682 CN(C)C1=CC=C(C=C1)/C=C(/C(=O)NN=CC2=CC=C(C=C2)C(=O)O)\NC(=O)C3=CC=CC=C3 1 3.432 4 4 0 -20.8688292907538 24789681 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CN=CC=C3 1 2.803 4 2 -6.74102827407029 24789680 CC1=NC=C(C=C1)C(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)F 1 3.452 3 3 -13.6166652737208 24789679 CC1=NC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)F)OC 1 3.436 3 4 0 -15.368644157541 24789678 COCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CN=CC=C3 1 -0.262 9 3 0 -25.6844096130808 24789677 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 2.4 2 4 -16.2416047445815 24789676 CCOC1=CC=C(C=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.209 3 4 0 -18.2669948331108 24789675 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OCC)NC1=O 1 2.178 4 5 0 -11.1829619317688 24789674 CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 2.272 2 5 0 -20.3046569005994 24789673 CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCOC)C 1 2.396 3 4 0 -12.5463188183746 24789672 C1CCC(C1)NC(=O)C2=C/C(=C/3\C=CC=CC3=O)/ON2 1 0.778 2 3 0 -8.93422528146321 24789671 C1=C/C(=C/2\C=C(NO2)C(=O)NC3=C(N=CC=C3)Cl)/C(=O)C=C1 1 0.675 3 3 0 -7.09974400089274 24789670 C1COCCN1C(=O)C2=C/C(=C/3\C=CC=CC3=O)/ON2 1 -0.731 2 4 0 -9.95710915161434 24789669 CCOC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCC(=O)NC4CCN(CC4)CC5=CC=CC=C5 1 3.268 5 5 0 -12.1249032149306 24789668 CC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCC(=O)NC4CCN(CC4)CC5=CC=CC=C5)C 1 3.908 5 4 0 -13.7080549510575 24789667 C1=CC2=NON=C2C(=C1)S(=O)(=O)NCCC(=O)NC3=CC=C(C=C3)Cl 1 1.859 4 4 0 -10.1386051389269 24789666 CC1CCN(CC1)CCCN2C(C34C=CC(O3)C(C4C2=O)C(=O)NC5=CC(=CC=C5)OC)C(=O)NC6CCCCC6 1 2.515 4 5 0 -5.15985290975952 24789665 CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCCN5CCCC5)C(=O)NC6=CC(=CC=C6)Cl 1 3.059 4 4 0 0.297463279273653 24789664 CCC1=CC=CC=C1NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.819 3 3 0 -19.3765201427949 24789663 CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)OC)OC 1 1.412 5 7 0 -14.4283066527454 24789662 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O 1 0.875 4 4 0 -18.7774990435145 24789661 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])N5CCN(CC5)C 1 2.814 7 4 0 -8.21067015736916 24789660 CCN(CCCNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3)OC)OC)C4=CC=CC(=C4)C 1 3.705 5 5 0 -16.8310511916231 24789659 CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCN5CCCCC5C)C(=O)NC6=CC=C(C=C6)OC 1 3.15 4 5 0 -3.94747116610117 24789658 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=C5OC)OC 1 2.816 5 6 0 -15.7275897557529 24789657 CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCCN5CCCCC5)C(=O)NC6=CC=C(C=C6)OC 1 2.835 4 5 0 -3.21884070074401 24789656 CCOC1=CC=CC=C1NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.209 3 4 0 -21.5811839657064 24789655 COC1=C(C=C(C=C1)NC(=O)CCNC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCCC4)OC 1 2.037 4 5 0 -34.6721531233148 24789654 COC1=C(C=C(C=C1)NC(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O)OC 1 0.868 4 5 0 -23.5185105984848 24789653 COC1=CC(=C(C=C1)NC(=O)CCNC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCCC4)OC 1 2.037 4 5 0 -33.910712678463 24789652 CCN(CC)CCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC(=CC=C4)SC)C(=O)NC5CCCC(C5C)C 1 3.111 4 4 0 -0.853155940379116 24789651 CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC 1 1.412 5 7 0 -18.3796846991361 24789650 CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)Cl 1 2.093 5 6 0 -15.9146009088409 24789649 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=CC(=C(C(=C4)OC)OC)OC)Cl 1 3.205 4 7 0 -19.4101799914052 24789648 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCN3C(=O)C4=C(C=CS4)NC3=O 1 2.731 4 3 0 -16.3665231731665 24789647 COC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SN=C3SC)OC(=O)C4=CC=CO4 1 4.443 4 5 0 -17.3782248994288 24789646 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl)OC 1 3.497 5 5 0 -5.7830796255236 24789645 CC1CC(CN(C1)CCCNC(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O)C 1 1.081 5 3 0 -24.8124050084439 24789644 CC1CCC(CC1)C(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)NC(=O)C 1 2.32 3 3 -24.6652671558748 24789643 COC1=CC(=CC(=C1OC)OC)NC(=O)CCNC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCCC4 1 2.021 4 6 0 -34.4384944915554 24789642 CC1CCCCC1NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCN5CCCCC5)C(=O)NC6=CC(=CC=C6)OC 1 2.52 4 5 0 -5.2284705558857 24789641 CCCCN(C)CCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC(=CC=C4)OC)C(=O)NC5CCCCC5C 1 2.932 4 5 0 -4.21050534026703 24789640 CCCN(CCC)CCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC(=CC=C4)SC)C(=O)NC5CCCCC5 1 3.587 4 4 0 -1.00399231311833 24789639 CC1=C(C=C(C=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4C(=O)NC5CCCCC5)CCCN6CCOCC6)O3)Cl 1 2.201 4 5 0 -4.39286738008281 24789638 CC1CCCN(C1)CCCN2C(C34C=CC(O3)C(C4C2=O)C(=O)NC5=CC=C(C=C5)OC)C(=O)NC6CCCCC6 1 2.583 4 5 0 -3.73527679699116 24789637 CSC1=CC=CC(=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4C(=O)NC5CCCCC5)CCCN6CCOCC6)O3 1 1.592 4 5 0 -2.7222433847568 24789636 CC1CCN(CC1)CCCN2C(C34C=CC(O3)C(C4C2=O)C(=O)NC5=CC=C(C=C5)Cl)C(=O)NC6CCCCC6 1 3.196 4 4 0 -3.28159340471622 24789635 C1CN(CCN1C2=CC(=C3C4=C(C5=CC=CC=C5C3=O)ON=C24)NCCC(=O)O)C(=O)C6=CC=CO6 1 2.982 4 6 0 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CCC1CCCCN1CCN2C(C34C=CC(O3)C(C4C2=O)C(=O)NC5=CC(=CC=C5)OC)C(=O)NC6CCCCC6 1 3.102 4 5 0 -2.79273163642521 24789625 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)S/C(=C/C4=CC(=CC=C4)C)/C(=O)N3 1 3.651 2 4 -9.20115034242309 24789624 CC1=CC=CC(=C1)/C=C/2\C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCCN4CCCC4 1 3.369 3 2 -7.96148577276332 24789623 CC1=CC=C(C=C1)/C=C/2\C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCC4=CC=CC=N4 1 3.417 3 2 -11.6946848902167 24789622 CCCCN(CCCC)CCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)C 1 3.03 4 5 0 -29.5062788008586 24789621 CCCCN(CCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)CC4=CC=CC=C4 1 3.285 4 5 0 -27.6987556283517 24789620 CC1=CC=CC(=C1)/C=C/2\C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCCCN4CCOCC4 1 2.658 3 3 -10.907347936359 24789619 CCN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)/C=C/3\C(=O)N(C4=CC=CC=C4O3)CC5=CC=CC(=C5)C 1 4.507 4 3 0 -5.57178039984896 24789618 CCOC(=O)N1CCC(CC1)NC(=O)CN(C2=CC=C(C=C2)C(C)C)S(=O)(=O)C3=C(N(N=C3C)C)C 1 2.218 5 5 0 -16.0505708503013 24789617 CC1CCCCN1C(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C 1 0.696 4 5 0 -24.5311735878611 24789616 COC1=CC=CC2=C1OC(=NNS(=O)(=O)C3=CC=CC=C3)C(=C2)C(=O)NC4=CC=CC=C4Cl 1 4.089 3 5 0 -8.98303942670181 24789615 CC1=CC=CC=C1NC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=NNS(=O)(=O)C4=CC=CC=C4 1 3.911 3 5 0 -11.5483964741202 24789614 CC1=NC2=CC=CC=C2C3=C1C=C(O3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-] 1 3.831 4 4 0 -0.847625697531048 24789613 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCN(CC3)C4=CC=CC=C4F)OC1=O 1 1.806 4 5 0 -7.5154904250362 24789612 COC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CS(=O)(=O)C3=CC=CC=C3 1 1.89 2 5 0 -28.6985919769185 24789611 CC1=CC=CC(=C1)C(=O)NNC(=O)C2CCN(CC2)C(=O)OC(C)(C)C 1 2.154 3 4 0 -9.72154826866746 24789610 CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)NNC2=NC3=CC=CC=C3C4=NC(=NN42)C 1 0.622 7 4 0 -17.5992635361041 24789609 COC1=CC(=C(C=C1)OC)CNC(=O)OCC2=NC=CN=C2C(=O)NC3=NC=C(C=C3)Br 1 2.415 5 5 0 -12.1651225190846 24789608 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)OCC)OC1=O 1 0.927 3 8 0 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CC1=CC=C(O1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl 1 3.673 3 3 -5.23240096235698 24789538 C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)Cl)C(=O)NN=CC3=CN=CC=C3 1 2.981 4 2 -6.10252217102379 24789537 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F 1 3.441 3 4 0 -7.72183314377164 24789536 CCOC(=O)N1CCC(CC1)NC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=CC=C3C)C 1 1.358 3 5 0 5.43853527824049 24789535 CCOC(=O)N1CCN(CC1)C(=O)CS(=O)CC2=C(OC(=N2)C3=CC(=C(C=C3)OC)OC)C 1 0.891 3 7 0 4.9438666918752 24789534 CCOC(=O)N1CCC(CC1)NC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)Cl)C 1 1.536 3 5 0 8.06774407763791 24789533 CCCCN(CCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CC=C3 1 4.717 2 5 0 -13.3069902727315 24789532 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC(OC)OC 1 -0.174 3 7 0 -27.2614301016734 24789531 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)N4CCN(CC4)C(=O)OCC 1 0.303 4 7 0 -21.895630362345 24789530 C1=CC=C(C=C1)S(=O)(=O)NC2(C(=O)N(C(=O)N2)C3=CC(=CC=C3)Cl)C(F)(F)F 1 3.245 3 4 0 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0 -28.5959140562245 24789519 COC1=CC=C(C=C1)C2=NOC3=C2C4=C(CC3)SC(=N4)C5=CC=C(C=C5)Cl 1 5.547 2 2 7.68563942826392 24789518 COC1=CC=C(C=C1)C2=NOC3=C2C4=C(CC3)SC(=N4)C5CCCCC5 1 5.345 2 2 4.30859257477422 24789517 CC1=CC=CC(=C1)C2=NC3=C(S2)CCC4=C3C(=NO4)C5=CC=C(C=C5)OC 1 5.369 2 2 8.68281400424456 24789516 COC1=CC=C(C=C1)C2=NOC3=C2C4=C(CC3)SC(=N4)C5=C(C=CC=C5F)F 1 5.293 2 2 3.51638117711387 24789515 COC1=CC=C(C=C1)C2=NOC3=C2C4=C(CC3)SC(=N4)C5=CC=CC=C5F 1 5.088 2 2 5.41422490056189 24789514 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C3CCCCC3)C(=O)NCC(OC)OC 1 1.648 3 6 0 -18.3075297326363 24789513 CC1CCC(CC1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.604 3 4 0 -23.6294682436769 24789512 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)N3CCN(CC3)C4=CC(=CC=C4)OC 1 1.935 4 5 0 -17.624587040815 24789511 CC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3)C 1 2.043 3 4 0 -18.4571774873566 24789510 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)N3CCC(CC3)C(=O)OCC 1 0.999 3 6 0 -25.4411521343791 24789509 CC1=CC(=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3)Br 1 2.305 3 4 0 -19.3923324337477 24789508 CC1=CC=CC=C1NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.557 3 4 0 -20.6341175444871 24789507 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)NC3CCCCCC3 1 1.764 3 4 0 -23.6966678255202 24789506 CCN(CC)C1=CC(=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3)C 1 2.417 4 4 0 -25.1412560360198 24789505 C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4 1 3.958 4 6 0 -15.7465092013255 24789504 CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CNC(=O)C2=C(N=CN2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4 1 4.469 5 6 0 -21.2559815999959 24789503 CC(C)(C)OC(=O)CNC(=O)C1=C(NC=N1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C 1 0.488 5 6 0 -19.5530439668867 24789502 CC1CCN(CC1)C(=O)C2=C(N=CN2)C(=O)NCC(=O)OC(C)(C)C 1 0.866 4 4 0 -22.3758610251184 24789501 CC(C)(C)OC(=O)CNC(=O)C1=C(NC=N1)C(=O)N2CCC3=CC=CC=C3C2 1 1.355 4 4 0 -23.0421849314706 24789500 CC(C)(C)OC(=O)CNC(=O)C1=C(NC=N1)C(=O)NC 1 -0.509 4 4 0 -19.4039899951493 24789499 CC(C)(C)OC(=O)CNC(=O)C1=C(NC=N1)C(=O)NCC2=CC=CC=C2 1 1.075 4 4 0 -19.0907924465909 24789498 CC(C)(C)OC(=O)CNC(=O)C1=C(N=CN1)C(=O)NC2CCN(CC2)C(=O)OC(C)(C)C 1 0.436 5 6 0 -19.616995536204 24789497 CC(C)(C)OC(=O)CNC(=O)C1=C(N=CN1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 2.687 4 4 0 -21.532430982894 24789496 C[C@H](C1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC(=O)OC(C)(C)C 1 1.452 4 4 0 -19.5857537494123 24789495 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N=CN2)C(=O)NCC(=O)OCC3=CC=CC=C3 1 1.141 5 6 0 -20.773643010996 24789494 CN(CC1=CC=CC=C1)C(=O)C2=C(N=CN2)C(=O)NCC(=O)OCC3=CC=CC=C3 1 1.933 4 4 0 -16.4753313799081 24789493 CCN(CC)C(=O)C1=C(N=CN1)C(=O)NCC(=O)OCC2=CC=CC=C2 1 1.047 4 4 0 -19.1117767621639 24789492 C1CN(CC2=CC=CC=C21)C(=O)C3=C(N=CN3)C(=O)NCC(=O)OCC4=CC=CC=C4 1 2.007 4 4 0 -21.7661763632615 24789491 CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CNC(=O)C2=C(N=CN2)C(=O)NCC(=O)OCC3=CC=CC=C3 1 2.429 5 6 0 -21.7241350208935 24789490 C1=CC=C(C=C1)CNC(=O)C2=C(N=CN2)C(=O)NCC(=O)OCC3=CC=CC=C3 1 1.727 4 4 0 -18.0745748969142 24789489 CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C2=C(NC=N2)C(=O)NCC(=O)OCC3=CC=CC=C3 1 1.088 5 6 0 -20.8375945803133 24789488 C1=CC=C(C=C1)COC(=O)CNC(=O)C2=C(N=CN2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4 1 3.339 4 4 0 -20.3810408797208 24789487 C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC(=O)OCC3=CC=CC=C3 1 2.104 4 4 0 -18.4343636462391 24789486 C[C@H](C1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC(=O)OCC3=CC=CC=C3 1 2.104 4 4 0 -18.4343636462391 24789485 CCN(CC)C(=O)C1=C(N=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC(C)(C)C 1 2.435 4 4 0 -19.3068924783199 24789484 CC1CCN(CC1)C(=O)C2=C(N=CN2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC(C)(C)C 1 2.906 4 4 0 -21.0511212590349 24789483 CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.367 5 4 0 -14.6463687839013 24789482 CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCC4=CC=CC=C4C3 1 3.395 4 4 0 -21.9612920794175 24789481 CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC3=CC=C(C=C3)CNC(=O)OC(C)(C)C 1 3.817 5 6 0 -20.4603117986606 24789480 CC1=CC(=C(C=C1)OC)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.541 3 5 0 -20.6054993529035 24789479 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)NCC3=CC=C(C=C3)F 1 1.905 3 4 0 -26.7881213975935 24789478 C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=CC(=C(C=C3)F)F 1 1.482 3 4 0 -17.3734234838385 24789477 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)NCC3=CC=CC=C3OC 1 1.684 3 5 0 -30.0272224632688 24789476 CC1CCCCC1NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.672 3 4 0 -24.4201636051848 24789475 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCCCC4 1 3.844 2 4 -12.3627122146826 24789474 C1CC(=O)N(CCC1NC(=O)OCC2=CC=CC=C2)CCSC3=CC=CC=C3 1 3.535 2 3 -13.4997442829259 24789473 C1CC(=O)N(CC[C@H]1NC(=O)OCC2=CC=CC=C2)[C@@H](CC3=CC=CC=C3)CN=[N+]=[N-] 1 4.041 5 3 0 -9.12168570428568 24789472 C1[C@@H]2C=C[C@]3([C@H]1S(=O)(=O)N(C3)CC4=CC=C(C=C4)Cl)O2 1 1.415 1 3 0 4.56251262869982 24789471 C[C@@H]1CCC(=O)N(CC1)CC[C@@H](C2=CC=CC=C2)SC3=CC=CC=C3 1 4.864 1 1 -13.9246838207726 24789470 C1[C@@H]2C=C[C@]3([C@H]1S(=O)(=O)N(C3)CC4=CC=CC=C4F)O2 1 0.956 1 3 0 1.08881574519434 24789469 CC1CCC(=O)N(CC1)CCSC2=CC=CC=C2 1 3.189 1 1 -12.2836378401142 24789468 CC(C)CN1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CO 1 2.238 2 2 -3.21225933103866 24789467 C1CC(=O)N(CCC1NC(=O)OCC2=CC=CC=C2)CCC#N 1 1.324 3 3 0 -16.3754936871907 24789466 CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)[C@@H]([C@@H]2C[C@@H]2C(=O)N(C)C)O 1 0.815 3 6 0 -15.7859144958753 24789465 C1CS(=O)(=O)N([C@H]2[C@@H](O1)CC3=CC=CC=C23)CC4=CC(=CC=C4)F 1 2.562 1 3 6.9077013837844e-002 24789464 CCCCNC(=O)[C@H]1C[C@H]1[C@H]([C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)O 1 0.7 3 6 0 -19.0624132511849 24789463 CCCCNC(=O)[C@H]1C[C@H]1[C@H]([C@H](CO)NC(=O)[C@H](COCC2=CC=CC=C2)NC(=O)OC(C)(C)C)O 1 1.486 3 7 0 -24.7805072623775 24789462 C1CC(=O)N(CC[C@H]1O)[C@@H](CC2=CC=CC=C2)CSC3=CC=CC=C3 1 3.51 1 2 -4.29223101681782 24789461 CCCN1CCC(=O)N(CC1)[C@@H](CC(C)C)CO 1 1.594 2 2 0 -5.8365309040557 24789460 CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 4.104 3 5 0 -4.7476759391092 24789459 CC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)C4=C(C=C5C(=C4)N(C(=N5)C(C)N)CCCO)Cl 1 4.124 6 1 0 0.24574165389697 24789458 C1CS(=O)(=O)N([C@H]2[C@@H](O1)CC3=CC=CC=C23)CC4=CC=C(C=C4)Cl 1 3.021 1 3 0.545690860214415 24789457 CC1=NOC(=C1)COC(=O)C2C(S[C@H]3N2C(=O)[C@H]3NC(=O)COC4=CC=CC=C4)(C)C 1 1.548 3 6 0 -13.4267286646199 24789456 C[C@H]1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)COC3=CC=CC=C3 1 4.564 1 2 -8.07597793764797 24789455 C[C@H]1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CN=[N+]=[N-] 1 3.695 4 1 -7.77040670797753 24789454 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)[C@@H]([C@@H]2C[C@@H]2C(=O)N3CCCC3)O 1 3.9e-002 3 6 0 -15.3420048827841 24789453 CCCCNC(=O)[C@H]1C[C@H]1[C@H]([C@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O 1 1.938 3 6 0 -21.6456779088993 24789452 CCCC[C@H]1COCCS(=O)(=O)N1CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.349 2 5 0 -8.20291446644536 24789451 CC(C)(C)[C@H]1CCC(=O)N(CC1)[C@H](CC#N)CC2=CC=CC=C2 1 3.825 2 1 -9.1711366596035 24789450 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCN(CC4)C(=O)OCC)C 1 3.49 4 4 0 -16.837209150229 24789449 CCC1=CC=CC(=C1NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCN(CC4)C(=O)OCC)C 1 3.573 3 4 0 -12.0928597702142 24789448 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC(C)C)CN3CCN(CC3)C(=O)C4=CC=CO4 1 2.19 4 6 0 -24.8545233667849 24789447 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4CCCO4 1 2.345 2 5 0 -17.7007066883457 24789446 COC(=O)C1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4CCCO4 1 1.996 2 5 0 -16.3634765451607 24789445 CCOC1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4CCCO4 1 2.473 2 4 -14.4574891406408 24789444 CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3OCC)N)OCC 1 2.565 6 5 0 -28.9599709458965 24789443 CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC(=O)NC3=CC(=C(C=C3)OC)OC)N)OCC 1 2.2 6 6 0 -31.0110257338341 24789442 CC1=CC=CC=C1NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCCCC4 1 4.126 2 2 -10.5120825138651 24789441 CCOC(=O)N1CCC(CC1)C(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.414 3 4 0 -4.5392454727082 24789440 C1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NC4=CC=C(C=C4)Br 1 4.388 2 2 -7.5749663606401 24789439 CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)OC 1 1.976 3 7 0 -21.6892491562617 24789438 COC1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCCCC4 1 3.624 2 3 -8.35327151526962 24789437 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C(=O)OCC)C 1 1.524 3 6 0 -22.4687824169456 24789436 CC1=CC=C(C=C1)S(=O)(=O)N2CC(=NN=C(N)N)C2 1 -2.5e-002 5 2 0 -10.7406945681795 24789435 CC1=CC=C(O1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl 1 3.673 3 3 -8.62494653023493 24789434 CCOC1=CC=CC=C1/C=C/C(=O)NCC(=O)N2CCC(CC2)N(C)C3CCCCC3C 1 3.392 3 3 -13.0445054015028 24789433 CC1CCCCC1N(C)C2CCN(CC2)C(=O)CNC(=O)/C=C/C3=CC(=CC=C3)Cl 1 3.724 3 2 -9.04050333196478 24789432 CCOC(=O)N1CCC(CC1)NC(=O)CSCC2=C(OC(=N2)C3=CC=CC=C3Cl)C 1 2.648 3 4 0 -1.37629126067249 24789431 CC1=CC(=C(C=C1)OCC(=O)NN=C(C)CC(=O)NCCC2=CC(=C(C=C2)OC)OC)Br 1 3.32 3 5 0 -13.6490755531215 24789430 CCN(CC)C1=CC=C(C=C1)CNC(=O)CC(=NNC(=O)COC2=C(C=C(C=C2)C)Br)C 1 3.892 4 3 0 -15.1196572623402 24789429 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4Cl 1 3.9 3 4 0 -10.2689359294105 24789428 C1=CC(=CC=C1C(=O)NN/C=C/2\C=C(C=C(C2=O)[N+](=O)[O-])Br)NC(=O)C3=CC=C(C=C3)F 1 2.192 4 5 0 -5.96095911005671 24789427 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC=CC=C3F 1 4.159 3 2 -6.66390438156871 24789426 CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC=C(O3)C 1 3.495 3 3 -11.3280074951958 24789425 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(O3)C 1 3.495 3 3 -7.2426962472776 24789424 C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)Br)C(=O)NN=CC3=CN=CC=C3 1 3.065 4 2 -6.63179204926994 24789423 COC1=CC(=CC(=C1OC)OC)C(=O)N/C(=C/C2=CC=C(C=C2)F)/C(=O)NC(CC3=CC=CC=C3)C(=O)O 1 3.672 2 7 0 -23.491157929336 24789422 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(O3)C 1 3.495 3 3 -8.12349698189912 24789421 C1CS(=O)(=O)N([C@H]2[C@@H](O1)CC3=CC=CC=C23)CC4=CC=CC=C4Br 1 3.105 1 3 -2.56449017785891 24789420 C1CC(=O)N(CC[C@H]1NC(=O)OCC2=CC=CC=C2)[C@H](CC#N)CC3=CC=CC=C3 1 3.257 3 3 -11.1029824318841 24789419 CC1=CC=C(C=C1)SCCN2CCC(CCC2=O)C(C)(C)C 1 4.59 1 1 -10.7799058388257 24789418 CCCN1C2=CC=CC=C2N=C1C(C)NC3=NC(=CS3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 5.524 5 2 0 -0.688947635435515 24789417 CCCN1C2=CC(=C(C=C2N=C1CCNC3=NC(=CS3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])Cl)Cl 1 6.616 5 2 0 0.122351882473089 24789416 CCCN1C2=CC=CC=C2N=C1C(C)NC3=NC(=CS3)C4=CC=C(C=C4)C 1 5.451 4 0 2.03442494955749 24789415 CCCN1C2=CC=CC=C2N=C1C3CCCN3C4=NC(=CS4)C5=CC=C(C=C5)OC 1 5.267 4 1 2.30665327547098 24789414 CCCN1C2=CC(=C(C=C2N=C1C(C)NC3=NC(=CS3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])Cl)N5CCCCC5 1 7.267 6 2 0 -2.35258585881642 24789413 C1=CC2=C(C=C1C(=O)N)NC(=C(C2=O)O)C3=CC(=C(C(=C3)Cl)N)Cl 1 2.008 3 3 -7.82986934561203 24789412 CC(C1=NC2=CC(=C(C=C2N1CCOCCO)N3CCCCC3)Cl)NC4=NC(=CS4)C5=CC(=CC=C5)Br 1 5.914 5 2 0 0.878266697206837 24789411 C1CCN(CC1)CCNC2=C(C=C(C(=C2)N3CCN(CC3)C4=NC(=CS4)C5=CC=CC=C5Br)Cl)[N+](=O)[O-] 1 6.117 6 2 0 2.59021690569969 24789410 CCCN1C2=CC(=C(C=C2N=C1C3CCCN3C4=NC(=CS4)C5=CC(=CC=C5)Br)Cl)Cl 1 7.36 4 0 4.04185739783034 24789409 CCCN1C2=CC=CC=C2N=C1C3CCCN3C4=NC(=CS4)C5=CC(=CC=C5)Br 1 6.031 4 0 4.65129073791552 24789408 CCCN1C2=CC=CC=C2N=C1C(CO)NC3=NC(=CS3)C4=CC(=CC=C4)Br 1 4.825 4 1 4.08411480186385 24789407 CCCN1C2=CC=CC=C2N=C1C(CO)NC3=NC(=CS3)C 1 2.412 4 1 -3.53248352524906 24789406 CCCN1C2=CC(=C(C=C2N=C1C(C)NC3=NC(=CS3)C4=CC(=C(C(=C4)Cl)N)Cl)Cl)N5CCCCC5 1 7.291 6 0 -2.24295331145137 24789405 CCCN1C2=CC=CC=C2N=C1C3CCCN3C4=NC(=CS4)C5=CC=C(C=C5)C 1 5.769 4 0 2.71961948461512 24789404 CC1=CC=C(C=C1)CNC2=C(C=C(C(=C2)N3CCN(CC3)C4=NC(=CS4)C5=CC=CC=C5Br)Cl)[N+](=O)[O-] 1 7.131 5 2 0 4.08436415462668 24789403 C1=C(C=C(C(=C1Cl)N)Cl)C2=CSC(=N2)NCCC3=NC4=CC(=C(C=C4N3CCCO)Cl)Cl 1 5.29 5 1 0.141770985316426 24789402 CCCN1C2=CC(=C(C=C2N=C1C(C)NC3=NC(=CS3)C4=CC=C(C=C4)C)Cl)Cl 1 6.78 4 0 1.46743528716917 24789401 CCCN1C2=CC=CC=C2N=C1C(C)NC3=NC(=CS3)C4=CC(=CC=C4)Br 1 5.713 4 0 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-4.50082315888565 24792260 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C3=CC=CC=C3O2)CC(=O)O)Br 1 2.952 1 4 -5.68888452496031 24792258 C1=CC=C(C=C1)C(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+] Na+ 1 -6.6e-002 2 6 0 -7.87882668202148 24792256 C1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=N2)N(C3=CC=C(C=C3)F)C(=O)C4=CSN=N4 1 3.639 5 2 0 -16.3807727578184 24792255 C1=CC=C(C=C1)CNC(=O)C(C2=CC=C(C=C2)F)N(C3=CC=CC=C3)C(=O)C4=CSN=N4 1 4.361 4 2 -15.5045266334204 24792254 COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)N3C=NN=N3)OC 1 1.178 5 4 0 -17.0147838494903 24792253 COC1=CC(=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4)OC 1 3.213 3 5 0 -15.2977158010363 24792252 CC1=C(C=C(C=C1)Cl)N(C(C2=CC=CO2)C(=O)NC3CCCC3)C(=O)C4=CSN=N4 1 4.52 4 3 0 -16.6760562601811 24792251 C1CCC(CC1)NC(=O)C(C2=CC=NC=C2)N(C3=CC=CC=C3F)C(=O)C4=CSN=N4 1 3.485 5 2 0 -18.7533643148301 24792250 C1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=N2)N(C3=CC=CC=C3F)C(=O)C4=CSN=N4 1 3.639 5 2 0 -19.49012630144 24792249 CCOC1=CC=C(C=C1)C(=O)NC2CCN(CC2)C(=O)NC3=CC=C(C=C3)F 1 2.518 3 3 -9.19753569750874 24792248 CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=O)C4=NC=CN=C4)C#N)C 1 2.019 6 1 0 -5.03095036728313 24792247 COC1=CC=CC(=C1)NC(=O)N2CCC(CC2)NC(=O)C3CCCCC3 1 2.426 3 3 -7.21237742444192 24792246 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OC)C5CC5)C.Cl Cl- 1 4.023 4 2 -5.30305217474702 24792245 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)NC3CCCCC3 1 1.787 4 3 0 -14.5901253883018 24792244 C1CCC(CC1)NC(=O)C2CCN(CC2)C3=NC=CC=N3 1 1.653 4 1 0 -1.21926798666414 24792243 CC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.646 3 4 0 -13.058143565679 24792242 C1CCC(CC1)NC(=O)C(C2=CC=NC=C2)N(C3=CC=CC=C3)C(=O)C4=CSN=N4 1 3.28 5 2 0 -17.026500882034 24792241 C1CN(CCN1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O.Cl Cl- 1 2.578 3 1 -0.209272567384886 24792240 C1C[N+]2(CC[N+]1(CC2)CC(=O)C3=CC=C(C=C3)F)CC(=O)C4=CC=C(C=C4)F.[Cl-] Cl- 1 0.309 2 2 0 -2.18889201995637 24792239 C1=CC=C2C(=C1)C=NN=C2NN=CC3=CC=CC=N3 1 1.919 5 0 0 4.54598332292119 24792237 CCCCN1C2=C(C=C3C(=C2)N=C(C(=O)N3)C(C)C)N=C1C4=CC=CC=C4C 1 5.424 4 1 -8.2954839748992 24792236 CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-] 1 4.14 4 4 0 -9.2914902915713 24792235 C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)C4=CC=CC=C4)[N+](=O)[O-] 1 3.438 5 4 0 -8.04364145299512 24792233 CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C4C=CC=CC4=CC5=CC=CC=C53)C6=CC=CC=C6.[Cl-] Cl- 1 7.869 3 0 2.37146525006728 24792232 C1CCCCCC(CCCCC1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-] 1 6.799 4 4 0 -11.1363420416165 24792230 CC1=CC=CC(=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4.[Cl-] Cl- 1 5.596 3 0 5.78845445422132 24792229 C1CCCC(CCC1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-] 1 4.974 4 4 0 -11.1363420416165 24792228 CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C 1 4.154 4 4 0 -10.9349005900143 24792227 CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NCCN3CCOCC3)[N+](=O)[O-])C 1 2.254 5 5 0 -15.1729440229893 24792226 COC1=CC(=C(C=C1)OC)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-] 1 3.405 5 6 0 -8.76853821771493 24792225 COC1=CC(=C(C=C1)OC)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCC(CC3)N4CCCCC4)[N+](=O)[O-] 1 2.804 5 6 0 -8.0805559780364 24792224 CC1CCCCN1CCCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 3.65 5 4 0 -12.8865801429393 24792223 CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-])C 1 5.438 4 4 0 -5.65209993190386 24792222 C1CCC(C1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-] 1 3.8 4 4 0 -10.8452281662351 24792221 C1CCCN(CCC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-] 1 4.581 4 4 0 -9.86592253379813 24792220 C1CN(CCC1NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-])CC5=CC=CC=C5 1 4.093 5 4 0 -7.08301117414373 24792218 C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=[N+](N=C(S3)NC4=CC=CC=C4)C5=CC=C(C=C5)F.[Cl-] Cl- 1 6.882 3 1 1.80301116979754 24792217 CCC(CC)NC1=C(C=C(C=C1)C(CC(=O)N)NC(=O)CC2=CC=CC3=CC=CC=C32)[N+](=O)[O-] 1 4.172 4 4 0 -12.8861680076479 24792215 COC1=C(C=C(C(=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4)Br)OC.[Cl-] Cl- 1 5.825 3 2 -0.976798373174822 24792214 C1CCCN(CC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-] 1 3.182 4 4 0 -10.900247872822 24792213 CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-] 1 3.392 4 4 0 -10.7455082666143 24792211 C1=CC=C(C=C1)[NH+]=C2NN(C(=C3C=CC(=O)C=C3)S2)C4=CC=C(C=C4)F.[Cl-] Cl- 1 5.207 3 1 1.37226796914964 24792209 CN(C)C1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F.[Cl-] Cl- 1 5.477 4 0 0.271924022423905 24792208 CCCCN1C2=C(C=C3C(=C2)N=C(C(=O)N3)C(C)C)N=C1C4=CC(=CC=C4)C 1 5.424 4 1 -4.50834430548536 24792207 CC1=C(C=CC(=C1)F)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-] 1 4.475 4 5 0 -0.241600273285007 24792205 CC1=CC=CC(=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F.[Cl-] Cl- 1 5.801 3 0 5.90307959879071 24792204 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=C(C(=CC=C3)Cl)Cl 1 5.112 4 5 0 -2.45343339125395 24792203 CC1=CC(=C(C=C1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1 4.164 5 7 0 -2.85784376871092 24792202 CCC1=C(C(=O)C=CO1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-] 1 2.497 4 7 0 -4.06785202789838 24792201 C1CCCC(CCC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=CC(=C3)Cl)Cl 1 7.087 3 5 0 -2.34364885987034 24792200 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=CC=C3Cl)Cl 1 5.112 4 5 0 -1.20877130523662 24792199 C1CCC(CC1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-] 1 4.062 4 4 0 -11.0730355064323 24792198 C1CN(CCN1C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-])C4=CC=CC=N4 1 3.61 6 4 0 -7.74267691221448 24792197 C1CCN(CC1)CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-] 1 3.294 5 4 0 -11.8813573224475 24792196 C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)CC4=CC=C(C=C4)Br)[N+](=O)[O-] 1 4.25 4 4 0 -11.6901557036392 24792195 C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)C4=CC=CC=C4)[N+](=O)[O-] 1 3.643 5 4 0 -6.77742977033939 24792194 C1CN(CCN1C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-])C4=CC=CC=N4 1 2.826 6 4 0 -8.7694176816642 24792193 C1CCCN(CC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-] 1 3.93 4 4 0 -9.73926135982728 24792192 CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)OC)[N+](=O)[O-])C 1 4.316 4 5 0 -12.0907195737286 24792190 C1=CC=C(C=C1)[NH+]=C2NN(/C(=C/3\C(=O)C=CC4=CC=CC=C43)/S2)C5=CC=C(C=C5)F.[Cl-] Cl- 1 6.258 3 1 1.60305662559774 24792189 CC(C)NC1=C(C=C(C=C1)C(CC(=O)N)NC(=O)C2=C(C=CC(=C2)OC)OC)[N+](=O)[O-] 1 2.148 4 6 0 -16.4239338748909 24792188 C1CCCC(CCC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-] 1 5.652 4 7 0 -3.36534363144561 24792187 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=CC(=C3)F)F 1 4.194 4 5 0 -0.82121677000032 24792186 CC1=CC(=C(C=C1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-])Cl 1 4.934 4 5 0 -0.666916506106468 24792185 COC1=C(C=C(C=C1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-])OC 1 3.75 4 7 0 -5.21616253823674 24792184 C1CCN(CC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3)F)F 1 4.194 4 5 0 -1.05999432227829 24792183 CC(=O)C1=C(C=C(C=C1)OC)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-] 1 3.507 4 7 0 -7.18066091122735 24792181 CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C4.[Cl-] Cl- 1 5.741 4 1 -0.362312641324753 24792179 CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C(C(=CC=C3)Cl)Cl)C4=CC=CC=C4.[Cl-] Cl- 1 7.381 3 0 2.39042517628497 24792177 CCOC1=C(C=CC(=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C)OC.[Cl-] Cl- 1 3.849 3 2 0.155585946148995 24792176 CC1CCCCN1CCCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-] 1 2.951 5 4 0 -15.201567660478 24792175 COC1=CC(=C(C=C1)OC)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-] 1 3.149 4 6 0 -11.9181760995901 24792174 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CC1=CC(=NN1CCNC(=O)C2=NOC(=C2)COC3=CC=CC=C3SC)C 1 2.834 4 3 0 -25.8098183003211 24791965 CN(CC1=CC=CC=N1)C(=O)CC2C(=O)NCCN2CC3=C(C=C(C=C3)F)Cl 1 1.949 4 2 0 -31.8896507082717 24791964 CC1=CC(=C(C=C1)S(=O)(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)OC)C 1 4.16 3 3 -0.212821188982748 24791963 C1CCC(CC1)NC(=O)CC2C(=O)NCCN2CC3=CC(=CC=C3)F 1 2.289 3 2 -30.8920230906816 24791962 CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CCCCN3C(=O)C4=CC=C(O4)OC)C 1 3.09 4 4 0 -16.4481430442013 24791961 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)F)CN3CCN(CC3)C(=O)C4=CC=CO4 1 1.685 4 5 0 -22.5995310008119 24791960 CN(C1CCOCC1)C(=O)C2=NOC(=C2)COC3=CC=CC(=C3)OC 1 1.596 2 5 0 -12.2473847158213 24791959 CN1C=C(C=N1)CCC(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4OC 1 2.626 5 2 0 -3.01678173992345 24791958 COC1=CC=CC(=C1)CNC(=O)C2CCC(=O)N(C2)CCC3=CC(=CC=C3)F 1 2.866 2 3 -18.7098741432827 24791957 CCC(=O)C1CCCN(C1)C(=O)CCC2=NN=C(O2)C3=CC=C(S3)C(=O)C 1 2.008 3 4 0 -22.4693018882299 24791956 CC1=C(C(=CC=C1)C)OCC2=CC(=NO2)C(=O)N3CCC(C3)C4CCCCC4 1 5.229 2 3 -11.4387619216144 24791955 C1CC(=O)N(CC1C(=O)NCC2=CN=C3N2C=CC=C3)CC4=CC=CC=C4F 1 1.517 4 2 0 -24.9759579924261 24791954 C1CN(CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC=N4 1 2.451 5 1 5.15170699382472 24791953 CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=CC=C(S3)COC 1 4.22 2 2 -9.93162266028159 24791952 C1CCCC(CC1)N2CC(CCC2=O)C(=O)NCC3=C(C=CC(=C3)C(F)(F)F)F 1 4.235 2 2 -18.1075435219132 24791951 C1CC(CN(C1)C(=O)C2=NNC(=C2)C3CC3)C(=O)C4=CC(=CC=C4)C(F)(F)F 1 3.973 3 2 -1.15223701072564e-002 24791950 CC(CCC1=CC=C(C=C1)OC)N2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4 1 4.521 2 3 -8.22075051088948 24791949 CN(CC1CCCN(C1)CCC2=CC=C(C=C2)OC)C(=O)C3=CC=C(O3)COC 1 3.103 2 4 1.07214031419494 24791948 COCC1CCN(C1)C(=O)C2=NOC(=C2)COC3=CC=CC=C3SC 1 2.282 2 4 -16.938046729434 24791947 CC1CCN(CC1)CC2=NN=NN2CCCC(=O)N3CCCCC3COC 1 1.226 6 2 0 -33.8622596024457 24791946 CC1=CSC(=N1)CN(C)C(=O)C2=CN(N=N2)CC3=CC=CC4=CC=CC=C43 1 2.861 5 1 -20.5895450343502 24791945 COC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C4=CC=CC=C4)OC 1 3.35 2 5 0 -24.4733938924051 24791944 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.503 3 4 0 -23.1097638086753 24791943 CCCN1CCN(CC1)C(=O)CCN2C3=C(C=CC=N3)N4C=CC=C4C2=O 1 1.89 5 2 0 -10.517932471006 24791942 CN1CCN(CC1)C(=O)CCN2C3=C(C=CC=N3)N4C=CC=C4C2=O 1 1.017 5 2 0 -9.56392196863061 24791941 CN(CC1=CC=CC=C1)C(=O)CCN2C3=C(C=CC=N3)N4C=CC=C4C2=O 1 2.644 4 2 -14.7552693762372 24791940 CSC1=CC=CC(=C1)NC(=O)CCN2C3=C(C=CC=N3)N4C=CC=C4C2=O 1 2.973 4 2 -7.82095042688087 24791939 CCCC12CN(CC(C1=O)(CN(C2)C(=O)C3=CC=CO3)CCC)C(=O)C4=CC=CO4 1 3.16 2 5 0 -7.18239674955845 24791938 C1CN(C2=C1C=C(C=C2)C(=O)NC3=C(C=CC=C3F)F)S(=O)(=O)C4=CC=CC=C4 1 3.793 2 3 -18.941936714719 24791937 C1CN(C2=C1C=C(C=C2)C(=O)NC3=CC=CC=C3F)S(=O)(=O)C4=CC=CC=C4 1 3.588 2 3 -21.1881418280284 24791936 CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=CO4 1 2.207 5 4 0 -2.28217870518168 24791935 C1CN(C2=C1C=C(C=C2)C(=O)NC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.382 2 3 -20.3048730792014 24791934 CC1CCCCC1NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 2.189 2 4 -28.504046002639 24791933 CCCNC(=O)C1=CC(=CN1)S(=O)(=O)N2CCCCC2 1 1.329 3 3 0 -17.5539562304044 24791932 CC1CCC(CC1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 2.122 2 4 -27.7133506411311 24791931 CCC(C)NC(=O)C1=CC(=CN1)S(=O)(=O)N2CCCCC2 1 1.707 3 3 0 -20.417386156366 24791930 C1CCN(C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.102 5 5 0 -19.7867686610668 24791929 CC1=CC(=CC=C1)N(C)S(=O)(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-] 1 3.197 3 4 0 -3.5036305618079 24791928 CCOC(=O)N1CCC(CC1)NS(=O)(=O)C2=CN(C(=C2)C(=O)OC)C 1 0.549 3 6 0 -11.0417356404216 24791927 CN1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-] 1 2.289 6 4 0 -1.57074609666719 24791926 CN(C1CCCCC1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCCCC3 1 2.521 3 3 -13.0966967375184 24791925 CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCNC(=O)CCN3C4=C(C=CC=N4)N5C=CC=C5C3=O 1 3.657 6 2 0 -12.6098905722415 24791924 CCN(CC1=CC=CC=C1)C(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 1.577 4 3 0 -18.8998057095686 24791923 CCC(CC1=CC=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 2.245 4 3 0 -15.814776998923 24791922 C1=CC=C(C=C1)CCNC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 1.344 4 3 0 -17.6596664864626 24791921 COC1=CC(=CC(=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br)OC 1 0.983 4 5 0 -16.2454877978647 24791920 COC1=CC(=C(C=C1)OC)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 0.983 4 5 0 -15.5448449007727 24791919 COC1=CC(=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br)OC 1 0.983 4 5 0 -17.4522127794396 24791918 CC1=C(SC2=C1C(=O)N3CCCCC3=N2)C(=O)N(CCC#N)C4=CC=CC=C4 1 3.28 4 2 -20.4461059061438 24791917 CC(=O)NC1=NN=C(S1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 1.271 6 5 0 -13.4751591567329 24791916 CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=CC(=NN3C(=N2)C)C4=CC=C(C=C4)OC 1 1.43 6 5 0 -5.73620323225193 24791915 CC1CCCC(C1C)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(C3)C)C(=O)C 1 2.256 3 4 0 -22.2700118249283 24791914 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=C(C=CC=N3)C 1 1.278 4 4 0 -17.9154499550493 24791913 CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)NCCC(=O)NC4=CC=CC=C4OC 1 2.145 3 5 0 -24.4457221662424 24791912 CC1=CC(=CC(=C1)NC(=O)CCN2C3=CC=CC=C3N4C=CC=C4C2=O)C 1 4.015 3 2 -9.71320112720127 24791911 COC1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3N4C=CC=C4C2=O 1 3.026 3 3 -9.73740333751534 24791910 CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4 1 1.535 3 5 0 -10.4767668202374 24791909 CC1CCCCC1NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 1.616 4 3 0 -19.169869324745 24791908 CCC1=CC(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 1.958 4 3 0 -12.0341892927143 24791907 COC1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 1.006 4 4 0 -18.3392390964312 24791906 CC(C)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 2.21 4 3 0 -12.4602368743853 24791905 C1CN(CCC1C(=O)N)C(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 -0.881 5 4 0 -13.7305294452808 24791904 CC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 0.755 4 4 0 -16.4583791018336 24791903 CCOC(=O)C1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 0.321 4 5 0 -17.0140522163879 24791902 CCC1=CC=C(C=C1)C2=NN3C(=NN(C(=O)C3=C2)CC(=O)N4CCN(CC4)C(=O)OCC)C 1 2.389 6 4 0 -5.41541880431477 24791901 CCC1=CC=C(C=C1)C2=NN3C(=NN(C(=O)C3=C2)CC(=O)NC4CCN(CC4)C(=O)OCC)C 1 2.336 6 4 0 -7.75151379793737 24791900 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=C(O2)CS(=O)C3=CC=CC(=C3)C 1 2.373 2 5 0 -3.30624846037968 24791899 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC(=C(C=C3)C)Cl 1 2.554 3 4 0 -18.3867940451202 24791898 CC1CCC(CC1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(C3)C)C(=O)C 1 1.937 3 4 0 -23.6064547452015 24791897 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC=CC=C3C 1 1.89 3 4 0 -21.2435047707996 24791896 COC1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C(C2=O)C=CC(=C3)C(=O)NC4=CC=C(C=C4)F)O 1 3.433 2 6 0 -12.1750740952851 24791895 CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)NCCC(=O)NCC4=CC=C(C=C4)F 1 2.374 3 4 0 -25.384706709472 24791894 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC=C(C=C3)F 1 1.609 3 4 0 -17.9669349693421 24791893 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NCC3=CC=C(C=C3)F 1 1.616 3 4 0 -23.1495112855922 24791892 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NCC3=CC(=CC=C3)OC 1 1.394 3 5 0 -24.4229535660288 24791891 CCOC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(C3)C)C(=O)C 1 1.736 3 5 0 -19.8580013556595 24791890 COC1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C(C2=O)C=CC(=C3)C(=O)NC4=CC=CC=C4F)O 1 3.433 2 6 0 -14.0514924729865 24791889 COC1=CC=CC=C1CNC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 1.006 4 4 0 -20.4534969274971 24791888 CC1=CC(=CC=C1)CCNC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 1.83 4 3 0 -15.7255881166624 24791887 COC1=CC=C(C=C1)CNC(=O)CCN2C3=C(C=CC(=C3)F)N4C=CC=C4C2=O 1 3.238 3 3 -13.6057908308399 24791886 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=C(C=CC(=C3)C)OC 1 1.873 3 5 0 -21.214886579216 24791885 CCC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)C(=C(N3)O)S(=O)(=O)C4=CC=C(C=C4)OC 1 4.17 2 6 0 -14.9169429994967 24791884 CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)NCCC(=O)NC4=CC(=CC=C4)OC 1 2.145 3 5 0 -21.1101061373653 24791883 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 3.524 3 5 0 -15.9874093472611 24791882 COC1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C(C2=O)C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)O 1 3.638 2 6 0 -12.6264115920367 24791881 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NCC3=CC=C(C=C3)N(C)C 1 1.573 4 4 0 -26.5226746896701 24791880 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=C(C=C(C=C3)F)C 1 2.095 3 4 0 -20.5351029397887 24791879 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC(=C(C=C3)C)F 1 2.095 3 4 0 -17.0752425730387 24791878 CCN1CCN(CC1)S(=O)(=O)C2=CNC(=C2)C(=O)OC 1 0.493 3 4 0 -14.3394647382276 24791877 CN1C2=C(CSC3=CC=CC=C32)C(=N1)C(=O)N4CCC(CC4)C(=O)N 1 1.901 4 2 0 -6.84293946941327 24791876 CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C3=C2CSC4=CC=CC=C43)C 1 2.636 4 3 0 -7.23245041442825 24791875 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)CC3=CC=CC=C3Cl 1 2.61 2 5 0 -2.72780182332172 24791874 CCC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 4.716 2 5 0 -18.1081886853781 24791873 CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 -0.613 4 7 0 -25.180879284866 24791872 CC1=C(N=CC=C1)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC4=C(C=C3)OCCN4C(=O)C 1 2.272 4 5 0 -14.3900960594292 24791871 CC(CN1C=NC=N1)NC(=O)C2=NOC(=C2)COC3=CC=CC=C3SC 1 2.099 5 3 0 -25.6863239426111 24791870 CN(C)C1=NC=C(S1)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)N4C=CC=N4 1 2.004 6 1 0 8.1417402959374 24791869 CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC4=CN=C(S4)C)C 1 2.609 5 1 2.28290813724778 24791868 CC1=NC(=CC=C1)CNC(=O)C2=NOC(=C2)COC3=CC=CC=C3SC 1 3.038 3 3 -22.3850374268444 24791867 CCC1=NOC(=C1)CNC(=O)CC2C(=O)NCCN2CC3=CC=C(C=C3)C4=CC=CC=C4 1 2.808 4 3 0 -40.774980392215 24791866 CC1=C(C=CO1)C(=O)N2CCCC(C2)NC3=CC=C(C=C3)C(C)C 1 3.634 2 2 -7.37087909442979 24791865 CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3CCCO3 1 1.354 2 4 0 -33.7933402729914 24791864 COC1=CC=CC(=C1)CN2CCNC(=O)C2CC(=O)NCC3CCOCC3 1 0.628 3 4 0 -35.7296993081584 24791863 CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4=CC(=NN4C)C)C 1 3.93 5 1 -8.86092781891707 24791862 CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)CN3C=NN=N3 1 0.959 5 2 0 -14.5798895396574 24791861 CC1(CC(C2=C(C1)N(N=C2)C3=CC=CC=C3)NC(=O)CCN4CCCC4=O)C 1 2.296 4 2 -24.5649551366396 24791860 CC1=CC=C(S1)C(=O)N2CCCCC2C(=O)NC3=CC=C(C=C3)N4C(=CC(=N4)C)C 1 3.686 4 2 -13.9678462333992 24791859 C1CC(CN(C1)C(=O)C2=CSC=C2)NC3=CC(=CC=C3)F 1 3.058 2 1 -8.19553373687652 24791858 C1CN(CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)F)C4CCOCC4 1 3.142 2 2 9.16691181716277 24791857 CC#CC(=O)N1CCC(CC1)OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=N3 1 2.262 3 3 -20.1988080613393 24791856 CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=CC=CS3 1 4.338 2 1 -12.1675849637154 24791855 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)CC3=CC=C(C=C3)C 1 2.432 2 5 0 -2.06370974733124 24791854 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 1.581 4 4 0 -21.6094548621951 24791853 C1CN(CCC1C(=O)N)C(=O)CC2C(=O)NCCN2CC3=CC(=CC=C3)OC4=CC=CC=C4 1 1.465 4 4 0 -28.5384494170654 24791852 C1CC(CN(C1)CCNC(=O)C2=NOC(=C2)COC3=C(C=CC=C3F)F)O 1 2.065 3 4 0 -14.3790207617997 24791851 CC1=NN=C(O1)CN(C)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)Cl 1 2.053 4 4 0 -18.9633145445819 24791850 C1CC(CN(C1)C(=O)CCC(=O)C2=CC=C(C=C2)F)NC3=CC=CC=C3 1 3.351 2 2 -9.23179080387603 24791849 CC1=NN(C=C1CN2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC)C 1 1.935 4 3 0 -1.93449926968458 24791848 CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=CSC=C3 1 4.047 2 1 -8.96284779299864 24791847 C1CCCN(CCC1)C(=O)C2=C(N3C=C(C=CC3=N2)Cl)CN4CCC[C@H]4CO 1 3.146 4 2 -12.4662726388048 24791846 C1CC(C2=C(C1)N(N=C2)C3=CC=CC=C3F)NC(=O)CCC4=CN5C=CC=CC5=N4 1 3.177 5 1 -13.8402143340716 24791845 CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=CC=NC=C3 1 3.234 3 1 -7.63005832979668 24791844 CC1=CC(=NN1CCCN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F)C 1 4.089 4 1 3.6969441767771 24791843 CCN1C=CN=C1CNC(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)COC 1 0.347 4 4 0 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CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=CC(=NC(=N3)N)CC(C)C)C 1 4.245 5 1 -12.6434921999142 24790345 CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=NC(=CC=C3)C)C 1 3.723 3 1 -11.2002852560044 24790344 CS(=O)(=O)N1CCC(CC1)OC2=CC=CC(=C2)C(=O)NCCCOC3=CN=CC=C3 1 0.726 3 5 0 -23.9698626414072 24790343 CC1=C(C(=C(C=C1)CNC(=O)C2CCC(=O)N(C2)CCN3CCOCC3)F)F 1 1.496 3 3 0 -28.9049932802609 24790342 COCCN1CCN(CC1)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)F 1 2.009 3 4 0 -8.82480837565875 24790341 CC(C)N(CC1=CN(N=C1)C)C(=O)C2CCC(=O)N(C2)CCC3=CC(=CC=C3)F 1 2.465 4 2 -18.2396419786137 24790340 CC(CSC)N1CCC(CC1)N2CCC(CC2)C(=O)NCC3=CC=CC=N3 1 1.75 4 1 0 -11.8815126719976 24790339 COC1=C(C=C(C=C1)C(=O)N2CCCC(C2)NC3=CC=C(C=C3)F)F 1 3.585 2 2 -7.08018820917725 24790338 CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)COC4=CC=CC=C4 1 3.823 3 2 1.51251909031104 24790337 CC1=NC=C(C=C1)OCC2=CC(=NO2)C(=O)N(C)CC3=CN(N=C3)C4=CC=CC=C4C 1 3.199 5 3 0 -13.4185472326292 24790336 C1CCN(C1)C(=O)C2=CC(=CC=C2)OC3CCN(CC3)CC4=C(C=C(C=C4)F)Cl 1 4.252 2 2 -2.76939303974264 24790335 CCOC(=O)N1CCN(CC1)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)F 1 2.391 3 5 0 -10.4208315568711 24790334 C1=CC=C(C=C1)CCCNC(=O)C2=NOC(=C2)COC3=C(C=CC=C3F)F 1 4.337 2 3 -17.494724989798 24790333 CC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C(=CC=N3)NC(=O)C(C4=CC=CC=C4)OC 1 2.701 4 3 0 -47.2525962303394 24790332 C1CC(CN(C1)C(=O)CSC2=CC=CC=N2)NC3=CC=CC=C3 1 2.973 3 1 -13.6170142291497 24790331 C1CC(CN(C1)C(=O)C2=CSC=N2)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.591 4 1 1.10086248313027 24790330 CCOC(=O)C1CCN(CC1)C(=O)C2=NOC(=C2)COC3=CC=C(C4=CC=CC=C43)OC 1 3.34 2 6 0 -12.573948262214 24790329 CC1=C(C=CC(=C1)CN2CCNC(=O)C2CC(=O)NC3CCCCCC3)OC 1 3.009 3 3 -31.7274573682425 24790328 CN1C=CN=C1CN(C)C(=O)CC2C(=O)NCCN2CC3=C(C=C(C=C3)F)Cl 1 1.171 5 2 0 -30.6362509079823 24790327 CC(C)N1C=C(C=N1)C(=O)N2CCCC(C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC 1 3.523 3 3 -1.85665163255956 24790326 C1CC(=O)N(CC1C(=O)N2CCOCC2)CC3=CC=C(C=C3)Cl 1 1.33 2 3 0 -17.8887755003832 24790325 CC1=CC=C(O1)C(C)CCN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4 1 3.442 4 2 -26.6234342148896 24790324 COC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)CC4=NC=CS4 1 3.311 3 2 7.91826865363237 24790323 CC(C)CC1=NN(C(=C1)C(=O)N2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)F)C 1 4.265 3 2 -8.54677007750157 24790322 COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CCN(CC3)CCCC4CCCC4 1 4.06 4 2 -27.5065390040816 24790321 CC(C)(CNC(=O)CC1C(=O)NCCN1CC2=C(C(=CC=C2)F)F)N3CCOCC3 1 1.045 4 3 0 -37.0786098035509 24790320 CC(C)CC(=O)NC1=CC=NN1C2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)F 1 3.004 4 2 -31.4882934678397 24790319 CC(=O)NC1=CC=CC(=C1)C(=O)N2CCC(CC2)CCC(=O)NC3=CC(=CC=C3)OC 1 2.306 3 4 0 -14.8032755309147 24790318 CC(C1=CC=CC=N1)N(C)C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC=CC=C4F 1 4.067 3 2 -7.34955460002463 24790317 CN(C)C1=CC=CC=C1C(=O)N2CCCC(C2)NC3=CC=C(C=C3)F 1 3.558 3 1 -12.5692143646786 24790316 CC1=NC(=CC=C1)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)N4C(=CC(=N4)C)C 1 3.162 5 1 -0.702833008953257 24790315 C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3CCC(=O)N(C3)CC4=CC=CC=C4F 1 2.143 3 3 -28.9806020242646 24790314 CC(C)N(CC1=NC=CN1C)C(=O)CC2C(=O)NCCN2CC3=CC=C(C=C3)F 1 1.233 5 2 0 -30.5814017565657 24767273 C1CN(CCN(C1=O)[C@H](CSC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4 1 5.038 2 1 -7.06571418985888 24767272 C1CN(CCN(C1=O)[C@H](CN=[N+]=[N-])C2=CC=CC=C2)CC3=CC=CC=C3 1 3.61 5 1 -6.5904559901793 24767169 C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)CSC3=CC=CC=C3)CC4=CC=CC=C4 1 5.359 2 1 -1.21551432522789 24767168 CC(C)C[C@@H](CC#N)N1CCN(CCC1=O)CC2=CC=CC=C2 1 2.824 3 1 -6.36822009442301 24767166 CC(C)[C@@H](CSC1=CC=CC=C1)N2CCN(CCC2=O)CC3=CC=CC=C3 1 4.647 2 1 -3.79487613080977 24767053 C1CN(CCN(C1=O)CCSC2=CC=CC=C2)CC3=CC=CC=C3 1 3.426 2 1 -6.32223814251372 24766933 C1CN(CCN(C1=O)[C@H](CC#N)C2=CC=CC=C2)CC3=CC=CC=C3 1 2.827 3 1 -8.57175271777769 24766932 C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)CN=[N+]=[N-])CC3=CC=CC=C3 1 3.932 5 1 -0.740256125548316 24766931 CC(C)C[C@@H](CSC1=CC=CC=C1)N2CCN(CCC2=O)CC3=CC=CC=C3 1 5.035 2 1 -4.8621815665042 24766809 CC(C)[C@@H](COC1=CC=CC=C1)N2CCN(CCC2=O)CC3=CC=CC=C3 1 4.088 2 2 -3.62518916080063 24766481 C1C2=C(C=CC(=C2)Cl)N3C(=C4C=CC(=CC4=N3)C(=O)O)O1 1 3.549 2 3 2.85693616909378 24766480 CC1=CC2=C(C=C1)N3C(=C4C=CC(=CC4=N3)C(=O)O)OC2 1 3.371 2 3 0.295606862056644 24762143 COC1=CC=CC(=C1)CNC(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 3.394 5 2 0 -21.0252429584158 24762142 CC(C)C1=NN=C(S1)NC(=O)C2CCCN2C(=O)NC3=CC(=CC=C3)Cl 1 2.913 5 2 0 -11.772915891673 24762141 CC1=CC=CC(=C1)C(=O)NC2CCN(CC2)C(=O)NCC3=CC=CC=C3 1 2.474 3 2 -11.5471473131292 24762140 C1OC2=C(O1)C=C(C=C2)CNC(=O)CN(C3=CC(=C(C=C3)F)Cl)C(=O)C4=CSN=N4 1 3.075 4 4 0 -18.9911324138964 24762139 CC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CC3=CN=CC=C3)C(=O)C4=CSN=N4 1 3.773 5 2 0 -17.2022797211349 24762138 COC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)OC 1 2.518 3 4 0 -11.6631135643638 24762137 COC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)OC 1 3.005 2 4 -5.73166390229251 24762136 C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC(=O)NC4=CC=CC=C4C(F)(F)F 1 3.56 2 4 -6.96088648026915 24762135 CC1=CC=CC=C1NC(=O)CN2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4 1 3.104 2 4 -8.66409358969672 24762134 CC1=CC(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4 1 3.104 2 4 -4.35159316459694 24762133 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3 1 2.909 4 3 0 -11.1321406839473 24762132 C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F 1 3.094 4 2 -12.3873470106037 24762131 CC1=CC=CC=C1NC(=O)C2CCCN(C2)C(=O)NCC3=CC=CC=C3 1 3.037 3 2 -8.16417952128394 24762130 COC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 2.872 4 3 0 -13.5121902452131 24762129 C1CCC2=C(C1)C3=CC=CC=C3N=C2SCC(=O)N4CCOCC4 1 3.563 2 2 -12.450814820265 24762128 COC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NC3=CC=CC=C3F 1 2.574 3 3 -8.86799531851691 24762127 CC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)OC)OC 1 3.286 2 4 -6.44354092775776 24762126 CC(=O)C1=CC=C(C=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CSN=N4 1 1.945 4 5 0 -22.9257633141679 24762124 C1=CC=C2C(=C1)C=C(C=N2)NC(=O)CS(=O)CC(=O)NC3=CC=C(C=C3)Cl.Cl Cl- 1 1.806 3 3 0 3.60402718860862 24762123 CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 3.897 5 1 -20.5061213811414 24762122 CC1=CSC(=N1)N2CCN(CC2)C3=C(C=C4C(=C3)N=C(N4)C5=CC=NC=C5)Cl 1 3.235 6 0 7.07411234889357 24762121 COC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)C4=C(C=C5C(=C4)N(C(=N5)C6=CC=NC=C6)CCOCCO)Cl 1 4.419 6 3 0 3.2276609106542 24762120 COC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3CC3 1 1.705 4 3 0 -24.3103623762951 24762119 C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC(=O)NC4=CC=CC=C4F 1 2.824 2 4 -7.3542519607181 24762118 CC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC(=O)NCC4=CC(=CC=C4)OC 1 3.88 5 2 0 -17.4053465306923 24762117 CCCN1C(=NC2=CC(=C(C=C21)N3CCN(CC3)C4=NC(=CS4)C5=CC=C(C=C5)C)Cl)C 1 5.951 5 0 3.16079557233305 24762116 COC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3CC3 1 1.705 4 3 0 -23.7625304260342 24762115 CC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)C4=C(C=C5C(=C4)N(C(=N5)C)CCN6CCCCC6)Cl 1 6.134 6 0 3.49020131566585 24762114 CC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)C4=C(C=C5C(=C4)N(C(=N5)C6=CC=NC=C6)CCN7CCCCC7)Cl 1 6.648 7 0 0 6.38363242249457 24762113 CC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)C4=CC5=C(C=C4)N=C(N5CCN6CCCCC6)C7=CC=NC=C7 1 5.983 7 0 0 8.36987401843071 24762112 CC1=CSC(=N1)N2CCN(CC2)C3=C(C=C4C(=C3)N(C(=N4)C5=CC=NC=C5)CCCN6CCCC6)Cl 1 4.103 7 0 0 3.61236154123096 24762111 CC(=O)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4 1 2.358 2 5 0 -9.36487134650269 24762110 CCOC(=O)C1=C(/C(=C(\C)/NNC2=CC=C(C=C2)C(=O)O)/SC1=NC(=O)C)C 1 2.443 3 5 0 -8.05830593688574 24762109 C1=CC(=CC=C1CCNC(=O)C(CC(=O)N)NC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N 1 0.609 4 5 0 -21.3964149872283 24762108 CCOC(=O)C1=C(NC(=C1C)C(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-])C 1 0.97 4 6 0 -8.93132273232791 24762107 CCOC1=C/C(=C/C2=C3NC4=C(C=CC(=C4)Cl)C(=O)N3CC2)/C=CC1=O 1 3.145 2 3 -3.14392095585708 24762106 C1=CC=[N+](C=C1)CC(=O)NN=CC2=C(C(=CC=C2)Cl)Cl.[Cl-] Cl- 1 3.468 3 1 -3.27114070461537 24762105 CCOC1=C/C(=C/C=C/2\NC3=CC=CC=C3C(=O)N2)/C=CC1=O 1 2.239 2 3 -4.72551681815996 24762102 CC1=C(C2=CC=CC=C2N1)CCNCC3=CN=CC=C3.Cl Cl- 1 2.56 3 0 1.17725069069532 24762101 COC1=C/C(=C/C2=C3C(=C(C4=CC=CC=C4N3)C(=O)O)CCC2)/C=C(C1=O)[N+](=O)[O-] 1 2.95 2 6 0 -7.82312357985937 24762100 CC(=NNC1=NN=CC2=CC=CC=C21)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.18 5 2 0 -1.78294885563807 24762099 CC1=CC(=NC(=N1)NN/C=C/2\C(=CN=C(C2=O)C)CO)C 1 -1.147 5 2 0 -1.04190223512286 24762098 COC1=C/C(=C/C=C/2\NC3=CC=CC=C3C(=O)N2)/C=C(C1=O)Br 1 2.343 2 3 0.934201123685484 24762097 CC(=O)NC1=C(C2=C(S1)CN(CC2)CC3=CC=CC=C3)C#N.Cl Cl- 1 2.425 3 1 -14.3111288978872 24762096 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NC3=CC=C(C=C3)NC(=O)C 1 0.397 4 6 0 -21.4625852073239 24762095 CCC(=O)NC1=CC2=C(C=C1)N=C3C(=N2)NC(=S)NC3=O 1 1.682 5 2 0 -8.53047363852476 24762094 CC1=CC=C(C=C1)C(=NNC2=NC=NC3=CC=CC=C32)C(=O)O 1 3.151 4 2 0.867250979151545 24762092 COC1=CC=C(C=C1)C(=NNC2=NC=NC3=CC=CC=C32)C(=O)O 1 2.648 4 3 0 0.454284770007405 24762091 C1=CC(=CC=C1C(=O)C2=CC3=C(C=C(C=C3)O)OC2=O)[N+](=O)[O-] 1 2.916 1 6 0 -5.76279641137277 24762090 CN(C)C1=CC=C(O1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC 1 3.211 3 4 0 -1.6745728340049 24762089 C1=CC(=CN=C1)C=NNC2=NC=C(C=C2)C(F)(F)F 1 1.991 4 0 0 5.03890648803672 24762088 COC1=C/C(=C/C=C/2\NC3=CC=CC=C3C(=O)N2)/C=C(C1=O)Cl 1 2.259 2 3 1.02040555776341 24762087 COC1=C/C(=C/C2=C3C(=C(C4=CC=CC=C4N3)C(=O)O)CCC2)/C=C(C1=O)Br 1 3.661 1 4 -5.22358106454506 24762086 CN1C2=C(C(=CC(=N2)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC1=O 1 1.855 4 6 0 -5.86125474370184 24762085 CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC(=O)NN/C=C\3/C=CC(=O)C(=C3)O 1 0.655 5 4 0 -12.7000947982391 24762084 CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2C)OC(=O)N3 1 3.097 2 3 -8.98373479040199 24762083 C1=CC=C(C(=C1)C(=O)O)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Cl-] Cl- 1 0.702 3 4 0 -11.8071782527502 24762081 COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)NC3=CC=CC=C3O2 1 2.372 1 4 -7.95186463116387 24762080 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CNC4=CC=CC=C43)/C(=O)NC2=O 1 3.272 3 4 0 0.845081879672858 24762079 CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC.Cl Cl- 1 3.812 5 2 0 3.72979868449526 24762077 CCOC(=O)C1=C(N(C2=C1C3=C(C=CC(=C3)Br)/C(=N/NC(=O)N)/C2=O)C)CN(C)C.Cl Cl- 1 2.723 5 4 0 -3.69436956372779 24762076 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 0.252 4 6 0 -14.1539634754821 24762075 CSC1=CC=C(C=C1)C=NNC2=NN=CN2N.Cl Cl- 1 0.767 6 0 0 -2.38605885795443 24762074 CCCC1=NN2C(=N)/C(=C\C3=CC(=C(C=C3)OCCOC4=CC=C(C=C4)NC(=O)C)OC)/C(=O)N=C2S1 1 4.273 5 5 0 -24.5247210336646 24762073 COC1=C(C=C(C=C1)C(=O)C[N+]2=CC(=CC3=CC=CC=C32)Br)[N+](=O)[O-].[Br-] Br- 1 4.516 2 4 -4.42210480210181 24762072 CC1=C(C=C(C=C1)NC2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)Cl.Cl Cl- 1 3.732 4 2 1.54835442155544 24762070 CC1=C(C=CC(=C1)[N+](=O)[O-])NC2=NC3=CC=CC=C3N4C2=NN=C4 1 3.073 6 2 0 1.04289789849795 24762069 CC1=C(C=CC=C1[N+](=O)[O-])NC2=NC3=CC=CC=C3N4C2=NN=C4 1 3.073 6 2 0 2.64994460099069 24762068 CCC1=NN2C(=N)/C(=C\C3=CC(=C(C=C3)OCCOC4=CC=C(C=C4)NC(=O)C)OCC)/C(=O)N=C2S1 1 4.166 5 5 0 -26.4971322852006 24762067 CCC1=NN2C(=N)/C(=C\C3=CC=C(C=C3)OCCOC4=CC=C(C=C4)NC(=O)C)/C(=O)N=C2S1 1 3.834 5 4 0 -22.3819135294022 24762066 COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)NC3=CC=CC=C3O2 1 3.249 1 3 -2.2526317725029 24762065 CN1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)OC)OC 1 2.436 5 5 0 -2.77851096886961 24762064 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(=O)CC(=O)C2=CC(=CC=C2)OC 1 2.775 2 6 0 -5.93735633544302 24762063 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)OC)/C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.671 2 5 0 -16.5175364421438 24762062 CC(C)OCCCNC(=O)CN1C2=CC=CC=C2O/C(=C\C3=CC=CC=C3F)/C1=O 1 2.646 2 4 -13.7611282805919 24762061 CCN(CC)CCNC(=O)CCN1C(=O)CCC(=N1)C2=CC=CC=C2 1 1.399 4 2 0 -16.1411448747166 24762059 CC(C)C1=NN2C(=N)/C(=C\C3=CC(=C(C=C3)OCCOC4=CC=C(C=C4)NC(=O)C)OC)/C(=O)N=C2S1 1 4.28 5 5 0 -26.8427474044525 24762058 COC1=C(C=C2C(=C1)C(=NC(=N2)NC3=CC(=CC=C3)F)N)OC.Cl Cl- 1 2.787 4 2 2.90750423327716 24762057 CN(C)C1=CC=C(C=C1)C2C3=CC(=C(C=C3CCN2)OC)OC.Cl Cl- 1 3.183 2 2 -14.9423390127375 24762056 COC1=CC2=C(C=C1)C3=C(C2=NNC4=CC=C(C=C4)C(=O)O)C=C(C=C3)OC 1 4.379 2 4 -7.44506750682246 24762055 CCOC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)C(=O)O)OCC.Cl Cl- 1 0.644 1 4 0 -16.4581719274319 24762054 CC1=C(C=CC(=C1)NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3)Br.Cl Cl- 1 3.98 3 1 -0.860875189681618 24762052 COC1=C(C=C2C(=C1)C(=NC(=N2)NC3=CC=C(C=C3)F)N)OC.Cl Cl- 1 2.787 4 2 1.57547224580101 24762051 CC1=NN2C(=N)/C(=C\C3=CC(=C(C(=C3)Cl)OCCOC4=CC=C(C=C4)NC(=O)C)OC)/C(=O)N=C2S1 1 3.815 5 5 0 -20.2313819275731 24762050 CC(=O)NC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NN=C4 1 1.812 6 1 0 -0.94181520087412 24762049 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=CC(=C3)C(=O)N.[Br-] Br- 1 2.477 3 3 -7.89665753307337 24762048 COC1=CC=C(C=C1)C(C2CCCCC2)(C(CN3CCOCC3)C4=CC=CC=C4)O.Cl Cl- 1 4.652 1 3 -3.68035170553121 24762047 COC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCOCC4)OC 1 2.167 4 6 0 -7.17149227014652 24762045 CCN(CC)C1=NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=C1)C 1 4.271 3 1 -6.57749091816325 24762042 CCOC1=C(C(=CC(=C1)/C=C/2\C(=NOC2=O)C)Cl)OCC#C 1 3.885 1 4 -2.65515174036586 24762041 COC1=C/C(=C\C=C/2\C=CC3=C(N2)C(=CC=C3)O)/C(=CC1=O)Br 1 2.851 1 3 6.04082846615491 24762040 CCOC(CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3)OCC 1 4.015 2 3 -13.8158412888476 24762039 CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(NC(=S)N=C2)N 1 2.567 3 2 -6.95326566714798 24762038 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)OC 1 2.775 2 6 0 -5.23409129607044 24762035 CCOC(=O)N1CCN(CC1)CCC(=O)C2=CC=C(C=C2)Br.Cl Cl- 1 2.781 2 3 -0.206017893256585 24762034 C1=CC\2=C(C=CC(=O)/C2=N\NC3=CC=C(C=C3)C(=O)O)N=C1 1 2.515 3 3 -5.19290058988598 24762033 C1=CC(=CC=C1N/C=C/C(=O)C2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N=C(N)N 1 2.265 4 3 0 -4.15642177387717 24762032 COC1=CC2=C(C=C1)OC(=NO)C(C2)C(=O)NC3=CC=C(C=C3)Cl 1 3.399 2 4 1.78347378569939 24762031 CC1=C(C=C(C=C1)NC(=O)C2CC3=CC=CC=C3OC2=NO)C 1 3.723 2 3 0.369475316803299 24762030 C1=CC(=CN=C1)C(=O)NCC(=O)NNC=C2C=C(C(=O)C(=C2)Br)Br 1 -0.179 4 3 0 -10.1984288406716 24762029 COC1=CC=CC(=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)F 1 2.441 2 3 -1.83883654662062 24762028 CCOC(=O)[C@@H]([C@H](C1=CC(=CC=C1)[C@@H]([C@H](C(=O)OCC)O)O)O)O 1 -1.8e-002 0 8 0 -6.76585798235273 24762027 COC1=CC=C(C=C1)/C=C(/C(=O)NC2=CC=CC(=C2)C(=O)O)\NC(=O)C3=CC=C(C=C3)OC 1 3.168 2 6 0 -17.4666409082804 24762025 CC(C(=O)NN/C=C/1\C(=O)C=CC2=CC=CC=C21)NC3=CC=C(C=C3)OC 1 2.185 3 3 -5.48288988745073 24762024 C1=CC(=C(C(=C1)Cl)Cl)C=NNC2=NN=CN2N.Cl Cl- 1 1.554 6 0 0 -0.780993756962842 24762023 CCOC1=C(C=CC(=C1)C=NNC2=NN=C(N2N)C)OC(=O)C.Cl Cl- 1 0.586 6 3 0 -13.6998111243926 24762022 CC(C)[C@@H](C(=O)OC)NCC1=CC(=CC=C1)CN[C@@H](C(C)C)C(=O)OC 1 2.974 2 4 -10.1696185237776 24762021 COC1=C(C=C(C=C1)S(=O)(=O)C2=CNC(=S)NC2=O)Cl 1 1.536 2 4 0 -13.261339168909 24762019 CC(C/C=C/C(=O)OC)OS(=O)(=O)N 1 -0.109 1 5 0 -5.19919779092665 24762018 C1=CC=C(C=C1)CNC(=O)[C@H](CO)NC(=O)C2=CC=C(C=C2)C(F)(F)F 1 2.219 2 3 -11.6116019385521 24762017 CCC(C)NC(=O)CSC1=NC(=C(N=N1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC 1 4.751 4 7 0 -21.9565921230572 24762016 CCCC1CC(OS(=O)(=O)N1)CCC2=CC=CC=C2 1 2.638 1 3 -2.24151454842461 24762015 C1=CC(=C(C=C1Cl)Cl)C=NNC2=NN=CN2N.Cl Cl- 1 1.554 6 0 0 -0.605113348553544 24762014 C\1=CC(=O)C(=C/C1=C\NNC(=O)NN/C=C/2\C=C(C(=O)C=C2)O)O 1 -1.769 4 5 0 -2.15980748128968 24762013 COC1=C(C(=C(C=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)O)OC 1 4.413 3 5 0 -8.54930284994068 24762011 CN([C@@H](CC1=CC=CC=C1)C(=O)OC)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)[C@@H](CC3=CC=CC=C3)C(=O)OC 1 3.558 2 8 0 -8.85954713454533 24762010 CC(C)[C@@H](C(=O)OC)NCC1=CC(=CC=C1)CN([C@@H](C(C)C)C(=O)OC)S(=O)(=O)C 1 2.56 2 6 0 -12.3751765769067 24762009 CC(C)(COC)COS(=O)(=O)N 1 -0.413 1 4 0 -4.48001118585531 24762007 COCC(CC1=CC=CC=C1)COS(=O)(=O)N 1 0.673 1 4 0 -2.98234145423578 24762006 CC(C)C(COC)COS(=O)(=O)N 1 -0.108 1 4 0 -5.93245370455139 24762005 CC1=CC(=CC=C1)NC(=O)C2CC3=CC=CC=C3OC2=NO 1 3.237 2 3 2.40764145824776 24762004 COC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)C#N 1 3.294 4 1 -0.665626522651772 24762003 COC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.31 4 3 0 -0.545735223252041 24762001 CC1=NC=C(/C(=C/NNC2=NC(=CC=C2)Cl)/C1=O)CO.Cl Cl- 1 -0.192 4 2 0 0.731990143543744 24762000 C1C(C(NS(=O)(=O)O1)/C=C\CCN=[N+]=[N-])O 1 -0.102 4 4 0 -1.79679822827781 24761999 CC1=C(C(=CC=C1)NC(=O)C2CC3=C(C(=CC=C3)OC)OC2=NO)C 1 3.707 2 4 -0.193060742780912 24761998 CCCCSCCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 2.818 3 4 0 -24.7258128702601 24761996 C1C(C(=NO)OC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)Cl)Cl 1 4.08 2 3 3.15999549941948 24761995 COC1=CC=C(C=C1)/C=C(/C(=O)NC2=CC=C(C=C2)C(=O)O)\NC(=O)C3=CC=C(C=C3)OC 1 3.168 2 6 0 -17.3438553843614 24761994 C1C(C(=NO)OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)Br 1 3.499 2 3 0.982729076928795 24761993 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)OC)N/N=C/2\C=CC(=O)C3=C2C=CC=N3 1 2.693 4 4 0 -6.4258609378416 24761992 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)NC3=CC=C(C=C3)F 1 1.71 4 3 0 -10.0455593525134 24761991 C1=CC=C(C=C1)CNC(=O)C(C2=CC=CO2)N(C3=CC=CC=C3)C(=O)C4=CC=CC=N4 1 3.855 3 3 -14.5984182993035 24761990 C1=CC=C(C=C1)C(C(=O)NCC2=CC=C(C=C2)F)OC(=O)C3=CC=CO3 1 3.648 1 4 -12.0645812223774 24761989 CC1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCCC3)C(=O)C4=CSN=N4 1 3.766 5 2 0 -16.5243007936862 24761988 COC1=C(C=CC(=C1)S(=O)(=O)NC2CCCC2)N3C=NN=N3 1 1.013 5 3 0 -21.7054102938758 24761987 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CN=CC=C3)C 1 2.931 3 3 -11.9828576359145 24761986 CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC(=CC=C2)OC)N3C=NN=N3 1 1.681 5 3 0 -14.3560465961845 24761985 CC(=O)C1=CC=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)OC)C(=O)C3=CSN=N3 1 2.16 4 4 0 -21.6434755860869 24761984 COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CN=CC=C3 1 1.942 3 4 0 -9.46448137469415 24761983 CC(C)CCN1C(=NN=N1)CN2CCN(CC2)C(=O)C3=CC=CO3.Cl Cl- 1 1.264 6 2 0 -22.3092749008603 24761982 C1CN(CCC1C(=O)C2=CC=C(C=C2)F)C(=O)NC3=C(C=C(C=C3)F)F 1 3.644 2 2 -2.68206076511844 24761981 COC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)F 1 2.733 3 3 -2.23187412604542 24761980 C=CCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4CCCC4)C(=O)NC5CCCC5 1 1.148 3 4 0 -4.92627793714775 24761979 C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)O)N(C3=CC(=CC=C3)F)C(=O)C4=NC=CN=C4 1 3.548 4 3 0 -9.1102055218809 24761978 CC1CCC(CC1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4S3 1 3.788 3 1 -1.35430028534807 24761977 CCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CN=CC=C3 1 2.901 3 3 -9.68543702298852 24761976 CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CN=CC=C3)C 1 2.931 3 3 -9.69959033254297 24761975 CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CN=CC=C3)C 1 2.931 3 3 -8.31165149355419 24761974 CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CN=CC=C3 1 2.444 3 3 -7.52057500690855 24761973 COC1=CC=C(C=C1)CNC(=O)CN(C2=CC3=CC=CC=C3N=C2)C(=O)C4=CSN=N4 1 2.607 5 3 0 -15.5241291840726 24761972 C1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CO3 1 3.442 1 4 -13.8843046146705 24761971 C1CN(CCC1N2C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)F 1 2.494 3 2 -17.7283072468338 24761970 COC1=CC=C(C=C1)NC(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4 1 2.797 2 5 0 -7.40064267926269 24761969 COC1=CC=C(C=C1)NC(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3OC 1 2.511 3 4 0 -5.9393523712902 24761968 CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)C(=O)NCC3=CC=CC=C3)C 1 3.388 3 2 -3.83705000398933 24761967 C1CN(CCC1C(=O)NC2=CC(=CC=C2)F)C(=O)NCC3=CC=CC=C3 1 2.621 3 2 -3.69022845370021 24761966 CCCC1=NN=C(N1CCOC)SCC(=O)NC2CCCC2 1 2.198 4 2 -24.9004340156827 24761965 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)O 1 1.812 2 5 0 -17.4931379180431 24761964 C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC=CC=C4F 1 3.019 2 4 -8.01688211455074 24761963 CC1=C(C(=CC=C1)NC(=O)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)OC)C 1 3.5 3 3 -1.5701512007383 24761962 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)F 1 2.149 2 4 -14.7825402520966 24761961 CC1CCCCC1NC(=O)C2CCCN(C2)C(=O)NC3=CC(=CC=C3)OC 1 3.128 3 3 -11.1213279851697 24761960 CCC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC=CO4 1 3.021 3 3 -9.05527508535367 24761959 CC1=C(C(=CC=C1)NC(=O)C2CCCN(C2)C(=O)NCC3=CC=CC=C3)C 1 3.523 3 2 -4.52220870289798 24761958 CC1=CC=C(C=C1)C(=O)NC2CCN(CC2)C(=O)NC3=CC=CC=C3Cl 1 3.131 3 2 -8.50391358811419 24761957 CCN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCCC3C)C 1 2.051 4 3 0 -15.204405725888 24761956 COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)NC3=CC=CC=C3F 1 3.021 2 3 -3.54267997973452 24761955 CCCC1=NN=C(N1CCOC)SCC(=O)NC2CCCCC2 1 2.654 4 2 -25.2549025298508 24761954 COC1=CC=CC=C1NC(=O)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)F 1 2.733 3 3 -4.98328198559025 24761953 CC1=CC=CC2=C1NC(=O)C(=C2)C3C4=CC(=C(C=C4CCN3C(=O)C5=CC=CO5)OC)OC 1 3.745 2 5 0 -16.1595651505588 24761952 C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC=C(C=C4)F 1 3.019 2 4 -6.2757994446533 24761951 CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)N4C=NN=N4 1 2.155 6 2 0 -21.3282384239022 24761950 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Cl- 1 3.918 3 2 -0.600763247612327 24761873 CCN1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CCCCC3.Cl Cl- 1 3.293 2 3 -9.63161313496884 24761872 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 5.189 3 1 -2.54445920715174 24761870 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC4=CC=CC=C4C=C3OC.Cl Cl- 1 5.158 3 3 -4.8753722647982 24761868 CC1=CC(=C2C(=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC4=CC=CC=C4C=C3)C.Cl Cl- 1 5.465 3 1 0.345927912139614 24761867 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 4.687 3 2 -5.1195166789203 24761866 CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])CC(=O)OC 1 3.459 3 6 0 -12.0535536642683 24761865 CC(C)OCC(CN1CCN(CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)O.Cl Cl- 1 1.951 3 4 0 -6.86921035726247 24761864 CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC4=CC=CC=C4C=C3.Cl Cl- 1 4.476 3 2 -1.4588426753856 24761862 CN(C)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC4=CC=CC=C4C=C3.Cl Cl- 1 4.46 3 3 -1.84326163013788 24761861 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 4.909 3 1 -2.69940644014833 24761859 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4C=C3.Cl Cl- 1 5.396 3 1 0.685460789607411 24761858 CN(CCC#N)C(=O)CSC1=NN/C(=C\2/C=NC3=CC=CC=C32)/O1 1 1.801 5 2 0 -18.1035016562008 24761856 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4C=C3OC.Cl Cl- 1 5.379 3 2 -2.62403487493566 24761855 CN(C)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 3.973 3 3 -5.36796676411526 24761854 CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCN(C)C)C(=O)C3=CC4=CC=CC=C4C=C3.Cl Cl- 1 4.963 3 2 -1.1420914546013 24761853 CCC(=O)NC1=C(C2=C(S1)CN(CC2)CC3=CC=CC=C3)C(=O)OC.Cl Cl- 1 3.068 2 3 -13.2087284533615 24761851 CN(C)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC4=CC=CC=C4C=C3OC.Cl Cl- 1 4.444 3 4 0 -4.61814923910028 24761850 CC(=O)NC1=C(C2=C(S1)CN(CC2)CC3=CC=CC=C3)C(=O)OC.Cl Cl- 1 2.402 2 3 -12.1890119442555 24761849 CC1=C(C(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O)C.Cl Cl- 1 3.431 3 2 0.199707074078779 24761848 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 5.368 3 1 -0.96286882146349 24761847 CN(C)CCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC4=CC=CC=C4C=C3.Cl Cl- 1 4.904 3 1 1.37870558327873 24761846 CCC(=O)NC1=C(C2=C(S1)CN(CC2)CC3=CC=CC=C3)C(=O)OCC.Cl Cl- 1 3.417 2 3 -12.52905851177 24761845 CC(=O)N(CCN(C)C)C1=NC2=CC3=C(C=C2S1)OCCO3.Cl Cl- 1 1.706 3 3 0 -5.54304085612244 24761844 CCOC(=O)C1=C(SC2=C1CCN(C2)C(C)C)NC(=O)C3CCCCC3.Cl Cl- 1 4.02 2 3 -11.5462969837042 24761843 CC1=CC2=C(C=C1)NC(=C2CCNCC3=CN=CC=C3)C.Cl Cl- 1 3.046 3 0 2.6469400650256 24761842 CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCN(C)C)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 4.475 3 2 -4.66679658857868 24761841 CC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C3=CC4=CC=CC=C4C=C3.Cl Cl- 1 4.979 3 1 0.62783714883206 24761839 CCC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC4=CC=CC=C4C=C3.Cl Cl- 1 5.435 3 1 0.462237046062308 24761837 CCOC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC4=CC=CC=C4C=C3OC.Cl Cl- 1 4.809 3 3 -5.79639806096599 24761836 CC(=O)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl Cl- 1 2.199 3 3 -8.07818377747332 24761835 C[N+](C)(C)CC(=O)NN=CC1=C2C=CC=CC2=CC3=CC=CC=C31.[Cl-] Cl- 1 1.487 3 1 0 -5.30173291528518 24761833 CCC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 4.948 3 1 -2.92263018369344 24761832 CCOC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 4.338 3 2 -5.94281257481371 24761831 C1CN(CCN1)CC2=CC(=O)N3C=CSC3=N2.Cl Cl- 1 -0.394 4 1 0 -14.9201707292756 24761830 CC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC4=CC=CC=C4C=C3.Cl Cl- 1 4.979 3 1 1.11621479638297 24761829 CCC(C(=O)OCC)N1C=NC2=C(C1=O)N=NN2C3=CC=CC=C3 1 2.332 5 3 0 -10.6231562570711 24761828 CC(C(=O)OC)N1C=NC2=C(C1=O)N=NN2C3=CC=CC=C3 1 1.459 5 3 0 -9.89752748262751 24761827 CCOC(=O)C(C)N1C=NC2=C(C1=O)N=NN2C3=CC=CC=C3 1 1.808 5 3 0 -10.0536943505761 24761826 CCOC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 4.338 3 2 -8.01886581934101 24761825 CCOC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C3=CC4=CC=CC=C4C=C3.Cl Cl- 1 4.825 3 2 -4.49416068536362 24761823 CN(C)CCN(C1=NC2=CC(=C(C=C2S1)OC)OC)C(=O)C3=CC4=CC=CC=C4C=C3.Cl Cl- 1 4.46 3 3 -3.16973611389422 24761822 CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl Cl- 1 3.859 3 2 2.33145733576966 24761821 CCCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl Cl- 1 3.858 3 2 0.908933976190782 24761820 CC(C)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC3=CC=CC=C3.Cl Cl- 1 3.243 2 3 -17.9415516426941 24761819 C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C=NN=C(N)N.[N+](=O)(O)[O-] NO3 1 4.196 5 0 4.66850183318077 24761818 COC1=CC=C(C=C1)C2=CC(=NCC(=O)O)C3=CC=CC=C3O2.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 2.862 1 4 0.348820059272343 24761817 CCOC(=O)C(=NNC1=NC=NC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 3.223 4 3 0 0.782028246760068 24761816 CCOC1=CC=C/C(=C\NN/C=C\2/C(=O)C(=CC=C2)OCC)/C1=O.O H2O 1 0.215 2 4 0 -3.66310909427294 24761815 C1=CC=C(C(=C1)C(F)(F)F)NN=CC2=CN=CC=C2 1 3.24 3 0 2.44802720497372 24761814 CC1=C(C(=CC=C1)C)NC(=O)CNCC(=O)NC2=C(C=CC=C2C)C.Cl Cl- 1 3.001 3 2 -6.9613107010362 24761812 CS(=O)(=O)C1=CC=CC=C1C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.209 1 3 -17.9365411748636 24761811 C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 2.88 2 4 -8.9470474456767 24761809 CC1=CC(=C(C=C1)C(C)C)OCC(CN(C)CC2=CC=CC=C2)O.Cl Cl- 1 4.705 1 2 1.26342771023915 24761807 C1CNCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F.Cl Cl- 1 0.636 2 2 0 -16.7726672680059 24761806 CC(C1=CC=CC=C1)NC(=O)/C(=C\C2=CC(=C(C(=C2)OC)O)OC)/C#N 1 3.031 2 4 -12.6368706401947 24761805 C[C@@H](C1CC1C2=CC=CC=C2)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 3.089 1 3 -6.99926354131312 24761804 C1[C@@H](C2=CC=CC=C2[C@H]1NS(=O)(=O)OCC(Cl)(Cl)Cl)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.491 2 6 0 -4.9208281632343 24761803 CC1CCC2C(C1)OS(=O)(=O)NC2(C)C 1 1.16 1 3 0 -6.2089411982583 24761802 C1=CC(=C(C=C1CCC(=O)O)C=O)O 1 1.468 0 4 0 -0.529771309202779 24761801 C1C[C@H](N(C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC[C@H]3C(=O)O)C(=O)O 1 0.219 2 8 0 -11.9656797875611 24761800 CC(C1=CC=C(C=C1)Br)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 3.317 1 3 -4.38291961406291 24761799 CC1CC(C2=CC=CC=C2O1)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.462 1 4 -6.25257835535826 24761798 C=CCC1C(C(OS(=O)(=O)N1)CCC2=CC=CC=C2)O 1 1.674 1 4 0 -8.55574243940306 24761797 CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)N[C@@H]4C=C([C@H](C([C@H]4O)O)O)CO 1 -6.839 1 18 0 -11.7761327881745 24761796 CCCC[C@@H]1[C@@H](C(NS(=O)(=O)O1)CC=C)O 1 1.098 1 4 0 -11.9170375860769 24761795 CC(C1=CC=CC=C1)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.568 1 3 -6.56396446500341 24761794 COC(=O)[C@H]1CN(C(=O)N1)C(=O)C2=CC=CC=C2 1 0.685 2 4 0 -9.13577346563014 24761793 CC1(O[C@@H](C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C 1 4.919 0 4 -1.42261730362139 24761792 COC(=O)C(C1=CC=CC=C1)NC(=O)CCC(=O)NC(C2=CC=CC=C2)C(=O)OC 1 1.649 2 6 0 -18.4864624002205 24761791 CC1(C2=CC=CC=C2OS(=O)(=O)N1)C 1 1.109 1 3 0 -3.63892134188293 24761789 COC(=O)[C@@H](C1=CC=CC=C1)NC(=O)CCC(=O)NC(C2=CC=CC=C2)C(=O)OC 1 1.649 2 6 0 -18.4864624002205 24761788 CC(C)(C)OC(=O)[C@@H](C1=CC=CC=C1)N(C)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)[C@H](C3=CC=CC=C3)C(=O)OC(C)(C)C 1 4.778 2 8 0 -13.3968267971189 24761787 CC(C)(C)OC1C(COS(=O)(=O)N1)NCOC(Cl)(Cl)Cl 1 2.308 2 5 0 -4.00556144603835 24761786 C1C=CC(OC1CCC2=CC=CC=C2)C3=CC4=CC=CC=C4O3 1 5.148 0 2 3.20598655391121 24761785 COC1=CC2=C(CCCC2NS(=O)(=O)OCC(Cl)(Cl)Cl)C=C1 1 3.19 1 4 -5.870415039873 24761784 C1CCC(CC1)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.466 1 3 -6.51430508419719 24761783 CC1C(NS(=O)(=O)OC1COC)CC(=O)SC(C)(C)C 1 0.711 1 5 0 -8.76572307851928 24761782 C1=CC(=O)OC2=CC(=C(C=C21)[N+](=O)[O-])CCO 1 1.51 1 5 0 -2.7709286082769 24761781 CC(C)(C)SC(=O)CC1C(COS(=O)(=O)N1)CC2=CC=CC=C2 1 2.301 1 4 -3.86066184804137 24761780 CC(C)C[C@@H](C(=O)OC)NCC1=CC(=CC=C1)CN[C@@H](CC(C)C)C(=O)OC 1 3.751 2 4 -9.06449832366232 24761778 CC(C)[C@@H](C(=O)O)N(CC1=CC(=CC=C1)CN([C@@H](C(C)C)C(=O)O)S(=O)(=O)C)S(=O)(=O)C 1 1.695 2 8 0 -6.17743471083022 24761777 CS(=O)(=O)N(CC1=CC(=CC=C1)CN(CC(=O)O)S(=O)(=O)C)CC(=O)O 1 -0.96 2 8 0 -9.22899071979555 24761776 COC(=O)C(C1=CC=CC=C1)N(CC2=CC(=CC=C2)CN(C(C3=CC=CC=C3)C(=O)OC)S(=O)(=O)C)S(=O)(=O)C 1 2.929 2 8 0 -8.47214109014921 24761775 C[C@H](C(C1=CC=CC=C1)O)N(C)C(=O)CN 1 6.8e-002 2 2 0 -5.76625969448736 24761774 C1=CC=C(C=C1)CCCOP(=O)(C2=CC=CC=C2)N 1 2.766 1 2 -3.55334927439575 24761773 CS(=O)(=O)N(CC1=CC(=CC=C1)CN(C(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C)C(C3=CC=CC=C3)C(=O)O 1 2.478 2 8 0 -7.08528200717198 24761771 CC[C@](C)(C1=CC=CC=C1)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 3.297 1 3 -4.658212653827 24761770 C[C@@H]1C[C@H](C2=CC=CC=C2O1)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.462 1 4 -6.25257835535826 24761769 CC(=O)CCCC(C1=CC=CC=C1)NS(=O)(=O)CCC(Cl)(Cl)Cl 1 2.693 1 3 -13.6348449359755 24761768 CC(=O)OCC[C@@H](C1=CC=CC=C1)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.122 1 5 -10.6597867236165 24761767 C1CCC2[C@H](C[C@H](C2C1)NS(=O)(=O)OCC(Cl)(Cl)Cl)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.794 2 6 0 -5.03529444098523 24761766 C1=CC=C(C=C1)C(CCNC(=O)C(F)(F)F)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.563 2 4 -13.3402443551203 24761765 C1CCC(C1)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.009 1 3 -6.15983657002911 24761764 CC(C1=CC=C(C=C1)C(C)(C)C)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 3.969 1 3 -2.32353224536245 24761763 C1COS(=O)(=O)N(C1C2=CC=CC=C2)CC3=CC=CC=C3 1 2.292 1 3 1.11167220488133 24761762 COC1=CC=C(C=C1)CC(COS(=O)(=O)N)O 1 0.182 1 5 0 -1.74135044860756 24761761 CCC[C@H]([C@@H](CC1=CC=CC=C1)C(=O)OCC)OS(=O)(=O)N 1 2.416 1 5 -8.135648859545 24761760 CC1(CN(C(=O)N1)S(=O)(=O)OCC(Cl)(Cl)Cl)C 1 0.994 2 4 0 -7.45254936196457 24761759 CC(C)(C)C#CC(CCC1=CC=CC=C1)OS(=O)(=O)N 1 3.25 1 3 -2.80748586499759 24761758 C1CCC(CC1)CC2CC(NS(=O)(=O)O2)C3=CC=CC=C3 1 3.109 1 3 -1.71989613740215 24761757 COC1=CC2(CCCC2=CC1=O)O 1 0.792 0 3 0 0.472651530580198 24761756 CC(C)CC1=C(C=CC(=C1)C(F)(F)F)S(=O)(=O)N 1 3.127 1 2 0.303679563349901 24761755 C1=CC(=CC=C1CCCOS(=O)(=O)N)C(F)(F)F 1 2.107 1 3 1.7335229760797 24761754 CCC1(CN(C(=O)N1)S(=O)(=O)OCC(Cl)(Cl)Cl)C 1 1.518 2 4 0 -7.04697220251433 24761753 C1=CC=C(C=C1)C(CC2=CC(=CC=C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)(C#N)C5=CC=CC=C5 1 8.457 2 0 -0.389215846917599 24761752 CC(C)CC(CCC1=CC=CC=C1)OS(=O)(=O)N 1 2.774 1 3 -3.72005836089318 24761751 CC1(OC(=CC(=O)O1)CC2C3CCCCC3OS(=O)(=O)N2)C 1 0.411 1 6 0 -5.53761853299569 24761750 C1CCC2C(C1)C(CC2NS(=O)(=O)OCC(Cl)(Cl)Cl)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.794 2 6 0 -5.03529444098523 24761747 CC12C(O1)C3(CCCC3=CC2=O)O 1 0.586 0 3 0 0.710356520815215 24761746 [2H]C([2H])(CCOS(=O)(=O)N)C1=CC=CC=C1 1 1.165 1 3 0 -2.58320823829445 24761743 CC1CC(NS(=O)(=O)O1)C2=CC=CC=C2 1 0.881 1 3 0 -2.28893998375618 24761742 CC(CCOS(=O)(=O)N)C1=CC=CC=C1 1 1.417 1 3 0 -3.26491474738954 24761740 CC(C)CCOP(=O)(N)OC1=CC=CC=C1 1 2.325 1 3 -3.05239417239985 24761739 CC1(CCCC2=CC=CC=C21)OCON 1 2.008 1 2 1.2780914414052 24761737 CC1CCC(CC1)(C)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.922 1 3 -5.26896474911337 24761736 CC(C)(C)SC(=O)C[C@H]1C2CCCCC2OS(=O)(=O)N1 1 1.799 1 4 0 -6.00793432248981 24761735 CCCCC1C(C(NS(=O)(=O)O1)CC=C)O 1 1.098 1 4 0 -11.9170375860769 24761734 COC(=O)C(CC1=CC=CC=C1)OS(=O)(=O)N 1 0.551 1 5 0 -6.05010531932562 24761733 CC(C)C[C@@H](C(=O)O)N(CC1=CC(=CC=C1)CN([C@@H](CC(C)C)C(=O)O)S(=O)(=O)C)S(=O)(=O)C 1 2.472 2 8 0 -7.29593067491977 24761732 CC(CC1=CC=C(C=C1)C(F)(F)F)COS(=O)(=O)N 1 2.426 1 3 3.36015086720883 24761731 C1CCC(CC1)COS(=O)(=O)N 1 0.993 1 3 0 -3.45303952243164 24761730 CC(C)(C)OC(=O)CC12CCCCC1NC(=O)O2 1 2.009 1 4 -9.06525528911622 24761729 C1=CC=NC(=C1)CNS(=O)(=O)C2=CC=CC=N2 1 0.777 3 2 0 -4.13031708338416 24761728 CC(C)CCOP(=O)(N)OC1=CC=CC=C1Cl 1 2.99 1 3 -2.85335010507412 24761727 CC1COS(=O)(=O)NC1C2=CC=C(C=C2)OC 1 0.935 1 4 0 -2.01563633632446 24761726 C1=CC=C(C=C1)CCCCOP(=O)(N)OC2=CC=CC=C2Cl 1 4.226 1 3 -0.721758303794954 24761725 C1CC(N(C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3C(=O)O)C(=O)O 1 0.219 2 8 0 -11.9656797875611 24761724 C1CCC(=CC1)C[C@H]2C3CCCCC3OS(=O)(=O)N2 1 2.682 1 3 -4.2325437905365 24761723 CC(C)C1COS(=O)(=O)NC1CC(=O)SC(C)(C)C 1 1.521 1 4 0 -5.50713353961898 24761722 C1CCC2C(C1)[C@@H](NS(=O)(=O)O2)CC(=O)C3=CC=CC=C3 1 1.858 1 4 0 -6.19001160816179 24761720 CC(C)[C@@H]1COC(=N1)C2=CC(=CC=C2)C3=N[C@@H](CO3)C(C)C 1 4.14 2 2 0.259099761002369 24761716 [2H]C(CCOS(=O)(=O)N)C1=CC=C(C=C1)C(C)(C)C 1 2.565 1 3 -0.447233346947792 24761715 C1COS(=O)(=O)NC1C2=CC=C(C=C2)O 1 0.261 1 4 0 0.794298793589547 24761714 CC1C(NS(=O)(=O)OC1COC)CC=C 1 0.204 1 4 0 -10.2793090847906 24761713 CC(C)C1COS(=O)(=O)NC1CC=C 1 1.014 1 3 0 -7.02071954589033 24761712 C=CCC1C2CCCC2OS(=O)(=O)N1 1 0.836 1 3 0 -7.58696955565908 24761708 CC(C)CC(C(=O)O)NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CC(C)C)C(=O)O 1 2.046 2 8 0 -18.2236579401461 24761706 C1=CC=C(C=C1)CCCOP(=O)(N)OC2=CC=C(C=C2)Cl 1 3.77 1 3 2.00786145900023 24761705 C1=CC=C(C=C1)CCC(C(Cl)(Cl)Cl)OS(=O)(=O)N 1 2.791 1 3 -1.40823460288769 24761704 COCC1CCCC1OS(=O)(=O)N 1 -0.286 1 4 0 -2.09608635484436 24761703 CN1C(CCOS1(=O)=O)C2=CC=CC=C2 1 0.709 1 3 0 0.485560776224753 24761701 C[C@H]([C@@H](CC1=CC=CC=C1)C(=O)OC)OS(=O)(=O)N 1 1.088 1 5 0 -6.06428388124465 24761700 CC(C)CC1=CC=CC=C1OS(=O)(=O)N 1 2.217 1 3 -1.95133299435169 24761699 C1=CC(=CC=C1COS(=O)(=O)N)C(F)(F)F 1 1.33 1 3 0 1.53296207064559 24761698 CC1(C(COS(=O)(=O)N1)COC)C 1 -0.664 1 4 0 -3.12919785676568 24761697 CC(C)CC1=C(C=CC(=C1)C(F)(F)F)OS(=O)(=O)N 1 3.16 1 3 1.22371398926618 24761696 CC1(OCC(O1)C2CC(NS(=O)(=O)O2)C3=CC=CC=C3)C 1 0.217 1 5 0 -1.59482971294072 24761694 C1[C@H](NS(=O)(=O)O[C@H]1C2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3 1 3.058 1 3 4.6605725688876 24761693 C1=CC=C(C=C1)C(CNC(=O)C(F)(F)F)NS(=O)(=O)OCC(Cl)(Cl)Cl 1 2.5 2 4 -11.4821031319247 24761692 CC(C)CC1=C(C=CC(=C1)C(C)(C)C)OS(=O)(=O)N 1 3.618 1 3 0.793033658221782 24761691 CC(C)CC1=C(C=CC(=C1)F)OS(=O)(=O)N 1 2.423 1 3 -1.39317655582086 24761689 COCC1CCCCC1OS(=O)(=O)N 1 0.17 1 4 0 -2.03063712794644 24761688 C1COS(=O)(=O)NC1C2=CC=C(C=C2)OC(=O)N 1 6.1e-002 2 5 0 -4.19244133645804 24761685 C1=CC=C(C=C1)CCCOP(=O)(N)OC2=CC=CC=C2 1 3.106 1 3 -0.595402705603637 24761684 CCOC(=O)C#CC(CCC1=CC=CC=C1)OS(=O)(=O)N 1 2.053 1 5 -4.24444293211677 24761639 COC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)OCC2=CC=CC=C2 1 0.229 3 6 0 -17.8386624479096 24761640 CCOC1=C(C=C(C=C1)Br)C(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 2.764 3 2 -3.38380479303135 24761641 CCOCCCNC(=O)CCN1C2=C(N=CC=C2)SC3=CC=CC=C3C1=O 1 2.085 3 3 -18.4621810613633 24761642 COC1=CC=CC2=C1OC(=NO)C(C2)C(=O)NC3=CC(=CC=C3)Br 1 3.483 2 4 -0.378528319636908 24761643 C1C(C(=NO)OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3Cl 1 3.415 2 3 1.08756624929243 24761644 CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN3CCOCC3.Cl Cl- 1 4.072 1 2 2.13591674473413 24761645 CC1=CC2=C(C=C1)N(/C(=C/C3=CC=CC=[N+]3C)/S2)CCO.[I-] I- 1 4.323 2 1 5.94653670656144 24761646 CC1=C(C=CC(=C1)OCCN2CCOCC2)C(C)C.Cl Cl- 1 3.32 1 2 -0.294990072547565 24761647 C1CC(N(C1)C(=O)CNC(=O)OCC2=CC=CC=C2)C(=O)NCC(=O)O 1 3.e-003 3 6 0 -16.0979439831966 24761648 C1=CC=C(C=C1)CON=CC2=CC=CC=C2[N+](=O)[O-] 1 3.173 2 3 -0.887003863280205 24761649 COC1=C/C(=C/NN2CCCCC2)/C=C(C1=O)[N+](=O)[O-] 1 0.234 3 4 0 -0.603567279240428 24761650 CC1=CC=CC(=N1)C=NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 3.028 4 2 -8.19936608200884 24761651 C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC=CC=N3)Cl 1 3.41 4 2 -7.1806072058961 24761681 C1=CC=C(C=C1)CC(COS(=O)(=O)N)N2C(=O)C3=CC=CC=C3C2=O 1 1.418 2 5 0 -5.24745127783958 24761679 CC(C)CC1=C(C=CC(=C1)C(C)(C)C)OC(=S)N(C)C 1 6.273 1 1 1.84958416982885 24761678 CC1(OC2CCN3C(C2O1)C(COS3(=O)=O)O)C 1 -1.853 1 6 0 -3.70454327285098 24761677 CCNC(=O)NC(=O)CSC1=NN/C(=C\2/C=NC3=CC=CC=C32)/O1 1 1.745 5 3 0 -14.6850807892635 24761676 COC1=C/C(=C/C2=C3C(=C(C4=CC=CC=C4N3)C(=O)O)CCC2)/C=C(C1=O)Cl 1 3.577 1 4 -5.13737663046714 24761675 CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=[N+](C=C1)CCCCCCCCCC#CC#CCCCCCCCCC[N+]2=CC=CC=C2 Cc1ccc(cc1)S(=O)(=O)O 1 10.897 2 0 4.16584931333665 24761674 C1=CC=[N+](C=C1)CCC[N+]2=CC=CC=C2.[I-] I- 1 2.75 2 0 3.548507111564 24761673 CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C.Cl Cl- 1 9.4e-002 3 3 0 -19.8532046660519 24761670 C1=CC=[N+](C=C1)CC(=O)NN=CC2=C(C=CC=C2Cl)F.[Cl-] Cl- 1 3.009 3 1 -8.80250685134816 24761669 CC(C)CNC(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2 1 2.773 4 2 -19.786459438696 24761668 CC1=CC=CC=C1NN=C(C)C2=CN=CC=C2.Cl Cl- 1 2.764 3 0 -2.06790280225394 24761667 CC(=NNC1=CC=C(C=C1)Cl)C2=CC=NC=C2.Cl Cl- 1 2.943 3 0 0.746942971173249 24761666 CC1=CC=C(C=C1)NN=CC2=CC=NC=C2.Cl Cl- 1 2.784 3 0 1.76453069139294 24761665 COC1=C(C=C(C=C1)Br)C=NNC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.871 3 2 -4.55654932355245 24761664 CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 3.54 3 1 -4.40579437044069 24761663 CCOC(=O)C(=NNC1=NC=NC2=CC=CC=C21)C3=CC=C(C=C3)C 1 3.725 4 2 1.12395150726916 24761662 CC1=C(C(=NN1C)C)C(=NOCC2=CC=C(C=C2)C#N)C(=O)OC 1 2.218 4 3 0 -4.34448004931786 24761661 CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4)C 1 4.041 4 2 -0.327586968551746 24761660 CCC(=NNC1=NN=CC2=CC=CC=C21)C3=CC=C(C=C3)F 1 3.493 4 0 1.07345819333567 24761659 CC(=NNC(=O)CNC(=O)C1=CN=CC=C1)C2=CC(=CC=C2)O 1 0.331 4 3 0 -12.43884612492 24761658 C1=CC=NC(=C1)C=NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Cl 1 3.41 4 2 -4.67830024988526 24761657 C1=CC=C(C(=C1)C=NNC2=C(C(=NC(=C2Cl)Cl)C(=O)O)Cl)C(F)(F)F 1 5.501 3 2 0.952905662966853 24761656 CCCNC(=O)NC(=O)CSC1=NN/C(=C\2/C=NC3=CC=CC=C32)/O1 1 2.269 5 3 0 -17.4631552527108 24761655 CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=NC(=CC=C3)C 1 3.514 4 2 -6.91066241683029 24761654 CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC=CC=N3 1 3.232 4 2 -5.47158956839619 24761653 CCC1=NN=C(N1N)NN=CC2=CC(=C(C=C2)OC(=O)C)OC.Cl Cl- 1 0.904 6 3 0 -13.0032929843333 24761652 CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC=CC=N3 1 3.232 4 2 -9.5705305978624 24761638 COC1=CC=CC=C1N2CCN(CC2)CC(COC3=C(C=C(C=C3)CC=C)OC)O.Cl Cl- 1 4.046 2 4 -9.41329654265158 24761637 CSCCC(C(=O)O)NC(=O)/C(=C/C1=CC=CO1)/NC(=O)C2=CC=C(O2)Br 1 1.646 2 6 0 -27.062542040253 24761636 CCO.CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=CC(=C(C=C3)O)OC)C(=O)C1)C CCO 1 1.447 4 3 0 -19.7683095701117 24761635 CC(=O)NC1=CC=CC=C1S(=O)(=O)CC2CC2(Cl)Cl 1 1.501 1 3 0 -11.657103086856 24761634 CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C 1 1.147 5 3 0 -2.90595970880401 24761633 CCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CCN(CC3)C(=O)OCC)C 1 1.814 5 3 0 -2.6212598618388 24761632 CCN1C2=C(C=C(C=C2)NC(=O)CC(C)C)N=C1CN3CCN(CC3)C(=O)OCC 1 2.871 5 3 0 -9.8297894835682 24761631 CCOC(=O)CCN1C2=C(N=CC=C2)SC3=CC=CC=C3C1=O 1 2.801 2 3 -9.50768088609787 24761630 CN(C1=NCCN1)N=CC2=CC=NC=C2.Br Br- 1 0.149 5 0 0 -6.1998215155956 24761629 C1=CC=C2C(=C1)C(=O)N(C3=C(S2)N=CC=C3)CCC(=O)O 1 2.227 2 3 -8.86486937684869 24761628 CC1CCN(CC1)CCCNC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)C)C)[N+](=O)[O-] 1 4.66 4 3 0 -12.7093106711009 24761627 COC1=CC=C(C=C1)NC(=O)C2CC3=C(C(=CC=C3)OC)OC2=NO 1 2.718 2 5 0 -1.65767108417753 24761626 CC1=CC=C(C=C1)NC(=O)C2CC3=C(C(=CC=C3)OC)OC2=NO 1 3.221 2 4 -1.41347772394282 24761625 C1=CC=C(C(=C1)/C=C\2/C(=O)NC3=CC=CC=C3O2)Br 1 3.265 1 2 -3.37906011771408 24761624 C1=CC(=CC=C1CN2C(=O)/C(=C\C3=C(C=CC(=C3)[N+](=O)[O-])O)/SC2=S)Cl 1 4.947 2 4 2.38067579468754 24761623 CC(=NNC(=O)NC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4 1 3.138 3 1 -8.42761183284136 24761622 C1C2CC3CC1CC(C2)(C3)NC(=O)NN=CC4=CC=CC=C4F 1 3.363 3 1 -4.57089973011054 24761621 CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CN3CCN(CC3)C(=O)OCC 1 2.794 5 4 0 -2.69716830037494 24761620 CCN1C2=C(C=C(C=C2)NC(=O)C)N=C1CN3CCN(CC3)C(=O)OCC 1 1.496 5 3 0 -5.92287284416063 24761619 CCCC1=NC(=CC(=N1)N2CCN(CC2)C3=CC=CC=C3)C.Cl Cl- 1 3.123 4 0 0.88841633380113 24761618 CCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CCN(CC3)C(=O)OCC)CC 1 2.163 5 3 0 -5.63817299719541 24761617 CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)[N+](=O)[O-] 1 1.921 5 4 0 -6.38965020687277e-004 24761616 CCCN1C2=C(C=C(C=C2)NC(=O)C)N=C1CN3CCN(CC3)C(=O)OCC 1 2.02 5 3 0 -5.60248904415827 24761615 CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CN3CCN(CC3)C(=O)OCC 1 2.27 5 4 0 -3.0175521003773 24761614 CCOC1=C(C(=CC(=C1)CNCCCN2CCOCC2)Cl)OCC(=O)NC(C)(C)C.Cl Cl- 1 2.227 3 4 0 -16.4681039159119 24761612 CC1=CC(=CC=C1)N=C2C(=CC3=C(O2)C(=NC=C3CO)C)C(=O)NC4=C(C=C(C=C4)OC)OC 1 3.462 3 5 0 -4.70731093390458 24761611 CN(C1=NCCN1)N=CC2=C(C(=C(C=C2)OC)OC)OC.Br Br- 1 1.25 4 3 0 -8.10896158768031 24761610 CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)CC(C)C 1 2.522 5 3 0 -6.81287634821158 24761609 CCCN1C2=C(C=C(C=C2)NC(=O)C(C)C)N=C1CN3CCN(CC3)C(=O)OCC 1 3.149 5 3 0 -10.4051440973572 24761608 CC(C)C(C(=O)O)NC(=O)/C(=C/C1=CC=CO1)/NC(=O)C2=CC=C(O2)Br 1 2.162 2 6 0 -23.8796282201345 24761607 CC(C)CC(C(=O)O)NC(=O)/C(=C/C1=CC=CO1)/NC(=O)C2=CC=C(O2)Br 1 2.55 2 6 0 -24.0991024817252 24761605 CC[N+]1=CC=CC=C1/C=C\2/N(C3=C(S2)C=CC(=C3)C)C.[I-] I- 1 5.211 2 0 6.56235050056647 24761604 CC1=CC(=CC=C1)CN2C3=CC=CC=C3N4C2=NCCC4.Cl Cl- 1 3.315 3 0 -4.70712838404144 24761603 CCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CCN(CC3)C(=O)OCC)C 1 2.27 5 3 0 -8.04355399648634 24761602 C1CN=C2N(C1)C3=CC=CC=C3N2CC4=CC(=CC=C4)Cl.Cl Cl- 1 3.494 3 0 -3.53968544776382 24761601 CCCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CCN(CC3)C(=O)OCC)C 1 2.726 5 3 0 -6.621967442001 24761600 CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C(C)C 1 2.277 5 3 0 -7.70861476200292 24761599 CCCN1C2=C(C=C(C=C2)NC(=O)CC)N=C1CN3CCN(CC3)C(=O)OCC 1 2.687 5 3 0 -5.31778919719305 24761597 CC1=C[N+](=C(C=C1)/C=C/C2=CC=C(C=C2)N(C)C)C.[I-] I- 1 4.36 2 0 3.14501619793419e-002 24761596 COC(=O)C(CO)NC(=O)C1CCCN1C(=O)CNC(=O)OCC2=CC=CC=C2 1 -0.175 3 7 0 -20.9211519499387 24761595 CCOC1=C(C=C(C=C1)Br)C(=O)NN=CC2=NC(=CC=C2)C 1 3.324 3 2 -4.02042222337252 24761594 CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3OC)O)C.Cl Cl- 1 4.027 2 3 -1.22775123391385 24761593 C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)CCO)O.Cl Cl- 1 1.867 2 3 0 -6.6079141945055 24761592 COC1=CC=C(C=C1)C2=NN(C(=O)CC2)CC(=O)NCC(OC)OC 1 0.236 3 5 0 -17.871797791181 24761591 CC1=NC=C(C2=C1OC(=NC3=CC=CC=C3F)C(=C2)C(=O)NC4=C(C=C(C=C4)OC)OC)CO 1 3.181 3 5 0 -8.72849502858811 24761590 C1=CC=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)N 1 2.943 4 2 1.07282770991596 24761588 CCCOC1=CC2=C(C=C1)C3=C(C2=NN=C(N)N)C=C(C=C3)OCCC.Cl Cl- 1 3.909 4 2 -2.10366636013573 24761587 COC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C(C3=CC=CC=C3)O 1 2.816 2 4 -1.4863210934939 24761586 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C3=CC=CC=C3O2)CC(=O)O)Cl 1 2.868 1 4 -4.671443559074 24761585 C1CC(=O)N(N=C1C2=CC=CC=C2)CCC(=O)NCC3COC4=CC=CC=C4O3 1 2.026 3 4 0 -16.4320676205224 24761584 CC(C)CCN(C1CCN(CC1)C(=O)C)C(=S)NC2=CC(=CC=C2)OC 1 3.982 3 2 -13.1696508703476 24761583 CC1=CC(=C2C(=C1)SC(=N2)NCC3=CC(=C(C=C3)O)OC)C.Cl Cl- 1 4.089 2 2 5.19635222641862 24761582 COC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O.Cl Cl- 1 3.054 2 3 -0.496248282481734 24761581 COC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)F)O.Cl Cl- 1 3.26 2 3 0.574326164650531 24761580 COC1=CC(=C(C=C1)C=NNC(=O)NC23CC4CC(C2)CC(C4)C3)OC 1 3.125 3 3 -5.34644457172978 24761579 CC1=NC(=CC=C1)NC(=O)CC(C2=CC(=C(C(=C2)OC)OC)OC)N3CC4=CC=CC=C4C3=O 1 3.116 3 5 0 -12.195542165118 24761578 COC1=C(C=CC(=C1)CC=C)OCC(CN2CCN(CC2)C3=CC=CC=C3)O.Cl Cl- 1 4.062 2 3 -8.0152436697563 24761577 CC1=C(C=C(C=C1)N2C=C(NC2=S)C3=CC(=C(C=C3)OC)OC)C 1 4.774 2 2 -6.08562846614537 24761576 CCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CCN(CC3)C(=O)OCC)CC 1 2.619 5 3 0 -11.060467131843 24761575 C1=CC(=CC=C1NS(=O)(=O)C2=CSC(=C2)C(=O)N)OC(F)(F)F 1 3.393 2 4 -0.212822031839392 24761574 CC1=CC(=CC(=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)N)C 1 2.623 2 2 2.53415835942493 24761573 CCOC1=C(C=C(C=C1)Br)C2=NN(C(O2)C3=CC=C(S3)[N+](=O)[O-])C(=O)C 1 3.981 3 5 0 -1.42813277345458 24761572 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)C(=O)O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C.Cl Cl- 1 3.416 4 4 0 -14.8080291725148 24761571 CC1CCCN(C1)C2(C3=CC(=CC(=C3NC2=O)C)[N+](=O)[O-])O 1 2.179 3 4 0 -5.38371770362443 24761570 C1=CC=C2C(=C1)N(C(=O)/C(=C/C3=CC(=CC=C3)Cl)/O2)CC(=O)O 1 2.868 1 4 -3.72097918991595 24761569 C[N+]1=CC=CC=C1/C=C/C2=C(C=CC(=C2)Br)O.[I-] I- 1 4.218 1 1 7.81268787882005 24761568 CC1CCCN(C1)C2(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)O 1 1.693 3 4 0 -8.14872338287599 24761567 COC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3OC2=NO 1 2.734 2 4 0.204423922299274 24761566 CC(C)(C)NC(=O)COC1=C(C=C(C=C1Cl)CNCCCN2CCOCC2)OC.Cl Cl- 1 1.879 3 4 0 -14.9580355244285 24761565 CC1=CN=C(C=C1)NC(=O)CC(C2=CC(=C(C(=C2)OC)OC)OC)N3CC4=CC=CC=C4C3=O 1 3.319 3 5 0 -14.7653381775468 24761564 CC(C)OC1=C(C=C(C=C1)Br)C(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 3.142 3 2 -3.6013714598588 24761563 COC1=C(C(=CC=C1)OC)OCC(CN2CCN(CC2)C3=CC=C(C=C3)F)O.Cl Cl- 1 3.243 2 4 -0.59286068758529 24761562 C1CN(CCN1CC(COC2=CC=C(C=C2)F)O)C3=CC=CC=C3F.Cl Cl- 1 3.481 2 2 1.62663139109684 24761561 CCOC(=O)CNC(=S)N(CC1=CC=CC=C1Cl)CC2=CC=CO2 1 4.262 2 3 -14.1502259928486 24761560 CCCCCCNC(=O)CNC(=S)N(CC1=CC=CS1)C2CCCCC2 1 5.676 3 1 -19.3702846494622 24761559 CCN1C2=C(C=C(C=C2)NC(=O)C(C)C)N=C1CN3CCN(CC3)C(=O)OCC 1 2.625 5 3 0 -10.7255278973595 24761558 COC1=C(C(=CC=C1)OC)OCC(CN2CCN(CC2)C3=CC=CC=C3F)O.Cl Cl- 1 3.243 2 4 -0.828920593061256 24761557 CC1CCN(CC1)CC2=NN=C(O2)C3=CC=CC=C3C.Cl Cl- 1 3.051 3 1 -3.73770777423943 24761556 C1=CC=C(C(=C1)C=NNC2=NN=CN2N)C(F)(F)F.Cl Cl- 1 1.167 6 0 0 -3.23380649775501 24761555 COC1=C(C=C(C=C1)C=O)CN2CCCN(S2(=O)=O)CC3=CC=CC=C3F 1 1.957 2 4 0 -6.10444524670776 24761554 CC(CC(=O)NC1=CC(=CC(=C1)OC)OC)N2C=CN=C2 1 1.152 3 3 0 -12.1929070313283 24761553 COC1=CC(=C(C=C1)NC(=O)CCN2C=CN=C2)OC 1 0.774 3 3 0 -8.42725606646744 24761551 CC[N+]1=C(C=CC2=C1C=C(C=C2)OC)/C=C/C3=CC=C(C=C3)N(CC)CC.[I-] I- 1 6.104 2 1 4.67735918748148 24761550 CCCCOC1=CC=C(C=C1)C(CCN2CCOCC2)(C3=CC=CC=C3)O.Cl Cl- 1 3.894 1 3 -1.71271088663564 24761549 CC(CC(=O)NC1=CC(=CC=C1)SC)N2C=CN=C2 1 1.726 3 1 0 -6.72847385948737 24761548 COC1=CC(=C(C=C1)OC)NC(=O)CCN2C=CN=C2 1 0.774 3 3 0 -6.51988818780051 24761547 C1CN(S(=O)(=O)N(C1)CC2=CC=CC(=C2)C#N)CC3=CC=C(C=C3)F 1 2.093 3 2 0.426299151296217 24761546 CC1=NOC(=C1Cl)C(=O)NC2=CC=C(C=C2)C#N 1 2.186 3 2 -5.01790729770424 24761545 CC1=CC=C(C=C1)C=NNC2=NN=CN2N.Cl Cl- 1 0.711 6 0 0 -4.59117579842425 24761544 CCOC(=O)N1CCN(CC1)CC2=NN=C(O2)C3=CC(=CC=C3)Br 1 2.353 4 3 0 -1.39952211459418 24761542 CCOC(=O)N1CCN(CC1)CC2=NN=C(O2)C3=CC=CC=C3Cl.Cl Cl- 1 2.269 4 3 0 -4.02077424793834 24761541 CCOC1=C/C(=C/NNC2=NN=C(N2N)C)/C=CC1=O.Cl Cl- 1 -1.154 6 2 0 -7.10829366186358 24761539 CC1(CC(CC(N1)(C)C)NCC2=CC(=CC=C2)[N+](=O)[O-])C.Cl Cl- 1 2.002 3 2 -6.69219671750056 24761538 C=CCNC1=C(C=C(C=C1)N2C(=O)CCCC2=O)[N+](=O)[O-] 1 1.766 3 4 0 -14.2530096835426 24761537 CC(C)OCCCN(C1CCN(CC1)C(=O)C)C(=S)NC2=CC(=C(C=C2)OC)Cl 1 3.724 3 3 -14.6995876216825 24761536 CC1=NOC(=C1Cl)C(=O)NC2=C(N=CC=C2)Cl 1 2.03 3 2 -3.83459709155204 24761535 COC1=C(C=C(C=C1)C=O)CN2CCCN(S2(=O)=O)CC3=CC=C(C=C3)Cl 1 2.416 2 4 -2.40325360659566 24761534 CC(CC(=O)NC1=CC=CC(=C1)C(=O)C)N2C=CN=C2 1 0.925 3 2 0 -11.4019176318432 24761533 COC1=CC(=CC(=C1OC)OC)C(CC(=O)NC2=NC=C(C=C2)Cl)N3CC4=CC=CC=C4C3=O 1 3.498 3 5 0 -10.9331382397671 24761532 CC1=CC(=NC=C1)NC(=O)CC(C2=CC=C(C=C2)OC)N3CC4=CC=CC=C4C3=O 1 3.352 3 3 -9.53259454233975 24761530 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=C(C(=CC=C4)F)F)OCC.Cl Cl- 1 4.87 2 2 -8.69807973140551 24761529 CC1=C(N=CC=C1)NC(=O)CC(C2=CC=C(C=C2)OC)N3CC4=CC=CC=C4C3=O 1 3.352 3 3 -9.71255346427303 24761528 CC(CC(=O)NC1=CC=C(C=C1)NC(=O)C)N2C=CN=C2 1 0.305 4 2 0 -12.0208714454754 24761527 CCOC1=C(C(=CC(=C1)/C=C/2\C(=NOC2=O)C)Br)OCC#C 1 3.969 1 4 -0.986708148644784 24761525 CCOC(=O)N1CCN(CC1)CC2=NN=C(O2)C3=CC=CC=C3C.Cl Cl- 1 2.091 4 3 0 -4.4871410782291 24761524 C1CN(CCN1CCSC2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 4.139 2 0 3.56563318823196 24761523 CCOC(=O)C1CCN(CC1)CC2=NN=C(O2)C3=CC=CC=C3C.Cl Cl- 1 2.558 3 3 -5.54221572959578 24761522 CCCOC1=C(C=C(C=C1)Cl)/C=C/2\C(=NOC2=O)C 1 3.233 1 3 8.18018325102569 24761521 CCOC1=CC=CC=C1NC(=O)CCN2C=CN=C2 1 1.14 3 2 0 -8.18354325872166 24761520 CC1=CC2=C(C=C1)S(=O)(=O)N=CN2CC3=CC=CC(=C3)C#N 1 1.961 3 2 0 -1.18155566244224 24761519 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC(=C(C=C4)OC)O)OCC.Cl Cl- 1 4.2 2 4 -7.9521973936939 24761518 COCCNC(=O)CCN1C(=O)CCC(=N1)C2=CC=CC=C2 1 0.432 3 3 0 -19.0012760066552 24761517 C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F 1 4.881 1 4 -5.48386345832542 24761516 CC1CCN(CC1)CCC(=O)C2=CC=C(C=C2)OC.Cl Cl- 1 2.976 1 2 -1.55356604841642 24761515 CCOC1=C(C=C(C=C1)Cl)/C=C/2\C(=NOC2=O)C 1 2.709 1 3 6.84438806762948 24761514 CCCOC1=C(C=C(C=C1)/C=C/2\C(=NOC2=O)C)Cl 1 3.233 1 3 2.57444412572861 24761513 CC1=C(C(=O)ON1)/C=C\2/C=CC(=O)C(=C2)Br 1 1.032 1 3 0 -3.64084095357948 24761512 C1CN(CCC1CNC(=O)NC2=CC=CC=C2Cl)CC3=CC(=CC=C3)Cl 1 4.547 3 1 -0.757497872176539 24761511 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=C(C=C(C=C3C(=O)O)[N+](=O)[O-])[N+](=O)[O-].Cl Cl- 1 3.982 4 6 0 4.44635407543245 24761510 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC=CC=C4OC)OCC.Cl Cl- 1 4.442 2 3 -11.275883261923 24761509 C1C2=CC=CC=C2N3C=CC=C3C(N1)C4=CC(=CC=C4)C(F)(F)F.Cl Cl- 1 4.736 2 0 -4.28787806136643 24761507 CC1=CC2=C(C=C1)S/C(=C\C3=CC=CC=[N+]3CCO)/N2C.[I-] I- 1 4.323 2 1 5.85905712938382 24761506 C[NH+](C)CCOC(=O)C1=CC=C(O1)COC2=CC=CC=C2Br.[Cl-] Cl- 1 2.052 1 4 -4.85179717473132 24761505 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC(=C(C=C4C)OC)C)OCC.Cl Cl- 1 5.415 2 3 -7.23354518798204 24761504 CCC1=CC=CC(=C1NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)C 1 3.235 2 3 -17.2788282820645 24761503 CCC1=CC(=CC=C1)NC(=S)N(CCCOC(C)C)C2CCN(CC2)C(=O)C 1 4.018 3 2 -13.086470530357 24761502 COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC 1 2.576 5 5 0 -9.90436110675778 24761501 CCCCC(C1=CC=C(C=C1)F)(C(CN2CCOCC2)C3=CC=C(C=C3)Cl)O.Cl Cl- 1 5.134 1 2 -0.171628482789126 24761500 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C 1 0.926 3 4 0 -18.7624433311035 24761499 COC1=CC(=CC(=C1OC)OC)C(CC(=O)NC2=CC=CC=N2)N3CC4=CC=CC=C4C3=O 1 2.833 3 5 0 -12.4453633878919 24761498 C[C@H]1CC[C@H]2[C@@]([C@@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)(C)O.Cl Cl- 1 3.354 1 3 -4.42575625922425 24761497 CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@]5([C@H](C23)OC(=O)C)[C@]6(C[C@@H]([C@H]7C[C@@]4(C6[C@H]7OC)O)OC)OCO5)OC)C 1 -0.734 1 8 0 -8.19031134389679 24761496 CC(C)CCC(C1=CC=C(C=C1)OC)(C(CN2CCOCC2)C3=CC=C(C=C3)Cl)O.Cl Cl- 1 5.164 1 3 -1.91323436457179 24761495 CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)C 1 3.265 2 3 -15.8952652792304 24761494 CC(C)C(C1=CC=C(C=C1)OC)(C(CN2CCOCC2)C3=CC=C(C=C3)Cl)O.Cl Cl- 1 4.319 1 3 0.789734464678467 24761493 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC=C(C=C4)OC)OCC.Cl Cl- 1 4.442 2 3 -10.7742906594414 24761492 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=C(C=C(C=C4)C)C)OCC.Cl Cl- 1 5.431 2 2 -8.91025714975885 24761491 C1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N.Cl Cl- 1 1.575 2 1 0 -6.09789840042706 24761490 CCOC1=CC=CC(=C1O)C2C3=CC=CN3C4=CC(=C(C=C4CN2)OCC)OCC.Cl Cl- 1 4.549 2 4 -8.4613450515515 24761489 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC=CC=C4F)OCC.Cl Cl- 1 4.664 2 2 -10.2101967039064 24761488 CC(C)CCN(C1CCN(CC1)C(C)C)C(=S)NC2=CC(=C(C=C2)OC)Cl 1 6.113 3 1 -10.7956377899008 24761487 CC(CC(=O)NC1=CC=C(C=C1)OC)N2C=CN=C2 1 1.168 3 2 0 -9.24391991786625 24761486 CCN(CC)CCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC(=C(C=C3NC2=S)OCC)OCC 1 4.434 4 4 0 -13.1437123790811 24761485 CC(=O)OCC(=O)[C@]1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)O 1 1.619 0 6 0 -13.2189043408144 24761484 CCOC(=O)CNC(=S)N(CCCN1CCN(CC1)C)CC2=CC=CS2 1 2.731 4 2 -10.1633716357581 24761483 C1CN(CCN1CCOC2=CC=C(C=C2)F)C(=O)C3=CC=CO3.Cl Cl- 1 2.434 2 3 0.139502498146654 24761481 CC1=CN=C(C=C1)NC(=O)CC(C2=CC=C(C=C2)OC)N3CC4=CC=CC=C4C3=O 1 3.352 3 3 -12.6336784337013 24761480 COC1=CC=C(C=C1)C(CC(=O)NC2=CC=CC=N2)N3CC4=CC=CC=C4C3=O 1 2.866 3 3 -10.3137036440464 24761478 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC(CN(CCO)CCO)O.Cl Cl- 1 2.423 2 3 3.82933924246874 24761477 CC(C)COC1=CC=C(C=C1)C(=O)OCCN2CCCCC2.Cl Cl- 1 3.916 1 3 -6.90766160334278 24761476 CSC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C 1 2.348 2 3 -21.1477383145462 24761475 CCCC(C1=CC=C(C=C1)OC)(C(CN2CCOCC2)C3=CC=C(C=C3)Cl)O.Cl Cl- 1 4.456 1 3 -0.885873687854198 24761473 CC(C)CCN(C1CCN(CC1)C(C)C)C(=S)NC2=CC=C(C=C2)OC 1 5.449 3 1 -10.3737891416287 24761472 CC1=C(C(=O)ON1)/C=C\2/C=CC(=O)C(=C2)Cl 1 0.948 1 3 0 -3.0495199351845 24761471 C1=CC=C(C=C1)NN=C2C3=C(C4=CC=CC=C42)C(=CC=C3)C(=O)O 1 4.411 2 2 -6.14707164623841 24761470 CC(C)CCC(C1=CC=C(C=C1)OC)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 4.5 1 3 -5.55093896061373 24761468 CN(C)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC4=CC=CC=C4C#N.Cl Cl- 1 4.99 4 1 -14.1935869657446 24761467 C1=CC=C2C(=C1)N(C=NS2(=O)=O)CC3=CC=CC(=C3)C#N 1 2.121 3 2 -2.15498138994113 24761466 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC(=CC=C4)[N+](=O)[O-])OCC.Cl Cl- 1 4.353 3 4 0 -13.7764230799706 24761465 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl 1 3.761 4 4 0 -5.83512515405387 24761464 CCOC1=CC=C(C=C1)NC(=O)CCN2C=CN=C2 1 1.14 3 2 0 -5.03776712313855 24761463 CCCCCC(C1=CC=C(C=C1)OC)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 4.704 1 3 -4.8831674874002 24761462 CNCCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OC.Cl Cl- 1 2.815 3 3 -7.87951506860578 24761461 CCCCC(C1=CC=CC=C1)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 4.265 1 2 -5.59168189455869 24761460 CC(C)CC(C1=CC=C(C=C1)OC)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 4.044 1 3 -3.95614365283674 24761458 CCC(C1=CC=CC=C1)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 3.352 1 2 -4.23520186805699 24761457 CCCOC1=CC=CC=C1/C=C/2\C(=NOC2=O)C 1 2.569 1 3 5.13115720429553 24761456 CC(C)CCN(C1CCN(CC1)C(=O)C)C(=S)NC2=CC=C(C=C2)OC 1 3.982 3 2 -13.5263562650352 24761455 CC(C)OCCCNC1=C(C=C(C=C1)N2C(=O)CCCC2=O)[N+](=O)[O-] 1 1.807 3 5 0 -14.547849279634 24761454 CC(C)C(C1=CC=CC=C1)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 3.671 1 2 -3.50547571248171 24761453 CC1=C(C(=CC=C1)C)OCCCN2CCOCC2.Cl Cl- 1 2.674 1 2 9.38085818024483e-002 24761452 CC(C)C1=CC=C(C=C1)C2C3=CC=CN3C4=CC=CC=C4CN2.Cl Cl- 1 4.988 2 0 -6.90026775090861 24761451 CN(CC(OC)OC)C(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC=C2 1 1.836 2 5 0 -17.2274334158031 24761450 CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)C 1 2.778 2 3 -16.1338631307845 24761449 CCCCC(C1=CC=C(C=C1)OC)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 4.248 1 3 -4.93417631344046 24761448 CCC1=CC=C(C=C1)C(CC(C)C)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 5.003 1 2 -3.78261557947168 24761447 CCN(CC)CCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC(=C(C=C3NC2=S)OCC)OCC 1 4.497 4 4 0 -14.7017501544374 24761446 CC1=CC2=C(C=C1)S(=O)(=O)N=CN2CC3=CC=C(C=C3)[N+](=O)[O-] 1 1.977 3 4 0 -0.2557746602091 24761445 CC(C)(C)OC(=O)NCC1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2 1 2.27 2 4 -21.290699425424 24761444 CC(C)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C 1 3 2 3 -15.3218015310812 24761443 CCCCN(C)CCNC(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)CC 1 5.039 6 0 -6.17024949858263 24761442 COC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)C5=CC=CC=C5OC)OC 1 4.092 5 6 0 -3.11767527997773 24761441 CCCCN(CC)CCNC(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)C 1 5.039 6 0 -5.94617112002751 24761440 CN1CCN(CC1)CCCNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 0.999 5 3 0 -6.5181915661728 24761439 CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCC(C)C 1 2.013 3 5 0 -23.0987988674014 24761438 CN1CCN(CC1)CCN2C(=O)C3=CC=CC=C3NC2=S 1 2.238 4 1 -3.80496160597745 24761436 CCO.CC(=O)OC1CC2(C(CCC2=NO)C3C1C4=C(CC3)C=C(C=C4)O)C CCO 1 3.215 1 4 -5.34675665019667 24761435 COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)F)O.Cl Cl- 1 3.26 2 3 1.01865532062705 24761433 COCCNC(=O)CCCN1C(=O)C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3C#N 1 1.937 4 4 0 -18.9880647295081 24761432 CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCOC 1 0.302 3 6 0 -22.1876979920866 24761431 COC1=CC(=C/C(=C\C=C/2\C=CC3=C(N2)C(=CC=C3)O)/C1=O)Br 1 2.851 1 3 5.76935819148244 24761430 CC1=CC=CC(=C1)C(=O)N/C(=C\C2=CC=CC=C2OC)/C(=O)NC3=CC=CC=N3 1 3.429 3 3 -13.7983354597329 24761429 CC1=CC(=CC(=C1OCCN2C=CN=C2)C)Cl.Cl Cl- 1 3.192 2 1 4.98325980964291 24761427 CCOC(=O)NNC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)C3=CC=CC=C3 1 4.051 3 3 -2.56850859902774 24761426 C1=CSC(=C1)C(=O)NN=C/C=C/C2=CC=C(O2)[N+](=O)[O-] 1 2.411 3 4 0 -0.792143184106862 24761424 C1CCCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO 1 2.161 5 4 0 3.74454922883705 24761423 COC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)C5=CC=C(C=C5)F)OC 1 4.314 5 5 0 -0.553692789853526 24761422 C1CN(CC2=CC=CC=C21)CC3=CC4=C(C=C3Br)OCO4.Cl Cl- 1 4.078 1 2 -1.40332019598439 24761421 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(=O)CC(=O)C2=CC(=CC=C2)OC 1 2.775 2 6 0 -3.71000101386417 24761420 C1CCC(CC1)N=C(N)NS(=O)(=O)C2=CC=CC=C2 1 2.433 3 2 -5.22266169278408 24761419 CC1=CC(=C(C=C1)C)OCC(CN2CCN(CC2)C3=CC=C(C=C3)OC)O.Cl Cl- 1 4.027 2 3 -6.04331031179671e-002 24761418 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCC(C)C)N3CCN(CC3)C 1 4.803 5 0 -8.77455464540121 24761416 COC1=CC=C(C=C1)OCCCN2C=CN=C2.Cl Cl- 1 1.601 2 2 0 1.71455489278499 24761415 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=CC=C3)C)CCC(=O)NCC(OC)OC 1 2.106 4 3 0 -20.8630559591753 24761414 CCOC(CNC1=CC(=NC2=C(C(=NN12)C)C3=CC=CC=C3OC)C)OCC 1 3.153 4 3 0 -8.95833630299236 24761413 CCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)OC)O.Cl Cl- 1 3.996 2 3 6.73401593827186e-002 24761412 CC1CCCN(C1)C2=NC(=O)/C(=C/C3=C(C(=CC=C3)OC)OC)/S2 1 3.612 2 3 -6.47592495560094 24761411 CC1=C(C=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3OC)O)C.Cl Cl- 1 4.027 2 3 -1.44381208464335 24761410 CC1=NC(=CC=C1)NC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 2.088 4 3 0 -5.85291232849696 24761408 CCN\1C2=C(C=CC(=C2)OC)S/C1=C\C3=CC=CC=[N+]3C.[I-] I- 1 4.709 2 1 9.5229047715516 24761406 CN\1C2=C(C=CC(=C2)OC)S/C1=C\C3=CC=CC=[N+]3C.[I-] I- 1 4.36 2 1 7.47032498479487 24761405 COC1=CC=C(C=C1)CNC2=CC=CC3=C2N=C(N3)C(F)(F)F.Cl Cl- 1 4.07 3 1 1.46722395034192 24761404 CN(CCC#N)C(=O)C1=CC2=C(S1)C3=CC=CC=C3N=C2Cl 1 3.435 3 1 -3.36991716481008 24761403 COC(CNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC=C2)OC 1 1.558 1 6 0 -17.5872863314753 24761402 COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)OC)O.Cl Cl- 1 3.038 2 4 -0.519540647055748 24761401 CC1=CC(=CC(=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)OC)O)C.Cl Cl- 1 4.027 2 3 0.184489502539334 24761400 CC1=C(C=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)OC)O)C.Cl Cl- 1 4.027 2 3 0.120866309996096 24761399 COC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)C5=CC=CC=C5)OC 1 4.108 5 5 0 -1.52687301046101 24761398 CC1=CC(=CC=C1)OCCOC2=C(C=C(C=C2OC)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)S(=O)(=O)C)OC 1 4.685 4 7 0 -17.8073497805488 24761397 CS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.068 4 5 0 -13.8390918474395 24761396 COC(CNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=C(C=C2)Br)OC 1 2.307 1 6 0 -16.3259377467538 24761395 COC(CNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=C(C=CC=C2Cl)Cl)OC 1 2.887 1 6 0 -14.5708100202842 24761394 CCN1C2=C(C=CC(=C2)C(=O)NCC(OC)OC)S(=O)(=O)C3=CC=CC=C3C1=O 1 1.588 2 6 0 -13.5385004794291 24761393 COC(CNC(=O)[C@H](CC1=CC=CC=C1)N2CC3=CC=CC=C3C2=O)OC 1 2.035 2 4 -13.7587056952789 24761391 CC1CCCC(N1CC(C)OC(=O)C2=CC(=CC=C2)Br)C.Cl Cl- 1 4.622 1 2 -8.78016026569879 24761390 COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=C(C=CC=C3OC)OC)O.Cl Cl- 1 3.021 2 5 0 -1.54893107328525 24761389 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NCC(OC)OC 1 2.044 1 6 0 -16.6912766922392 24761388 COC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCC(OC)OC 1 1.542 1 7 0 -18.0879779767884 24761387 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NCC(OC)OC 1 1.542 1 7 0 -16.9354700524739 24761386 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CC=C3Br 1 2.617 3 2 -9.73847880138167 24761385 CCOC(=O)N1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)OC)OC 1 2.688 5 7 0 -7.64741561546916 24761384 CCCCCC(CCN1CCCCC1)(C2=CC=CC=C2)O.Cl Cl- 1 4.469 1 1 -0.944765054501911 24761383 C1COCCN1CC(COC2=C(C=C(C=C2F)Br)F)O.Cl Cl- 1 2.288 1 3 -3.79215434306774 24761381 CCS(=O)(=O)C1=NN2C(=N)/C(=C\C3=CC(=C(C=C3)OCCOC4=CC=CC(=C4)OC)OC)/C(=O)N=C2S1 1 4.548 4 7 0 -24.8110948523766 24761380 CC1CCCC(N1CC(C)OC(=O)C2=CC=C(C=C2)F)C.Cl Cl- 1 4.079 1 2 -7.72152868440756 24761379 CCC(CC)N1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4F 1 4.448 5 3 0 -3.32442038059729 24761378 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NCC(OCC)OCC 1 2.946 2 4 -10.5531666701377 24761377 COC1=C/C(=C/C=C\2/C=CC3=C(N2)C(=CC=C3)O)/C=CC1=O 1 2.399 1 3 4.59056783363305 24761376 CCOC(=O)N1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4F 1 2.926 5 5 0 -4.97004016467725 24761375 CC1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=CC=C3F)/S2 1 3.783 2 1 -4.98534340466168 24761374 CC1CCCC(N1CC(C)OC(=O)C2=CC(=CC=C2)C)C.Cl Cl- 1 4.36 1 2 -9.04417970596357 24761373 CCCCNC(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)CC 1 4.9 5 0 -8.6074270155954 24761372 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCCN(CC)CC)C(=C2)C 1 4.408 6 0 -6.46272218702648 24761371 CN1CCN(CC1)CCNC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 0.936 5 3 0 -8.08664622031356 24761370 CC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=CC=CC=C3.Cl Cl- 1 3.908 1 3 4.97340422374813 24761369 CC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)F)O.Cl Cl- 1 3.016 2 3 -3.4564607343459 24761368 CCC1=CC=C(C=C1)SCC2=C(C3=C(O2)C=CC(=C3CN(C)C)O)C(=O)OCC.Cl Cl- 1 5.315 1 4 4.64679841172754 24761367 CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)OC)O)C.Cl Cl- 1 4.027 2 3 0.378366236664606 24761366 CC(=O)N(C1=CC=C(C=C1)C(=O)O)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl 1 2.363 1 5 1.56062344198322 24761364 CCCCN\1C2=C(C=C(C=C2)NC(=O)C)S/C1=C\C3=CC=CC=[N+]3C.[I-] I- 1 4.825 3 1 -0.356532652290924 24761362 CN\1C2=CC=CC=C2S/C1=C\C3=CC=CC=[N+]3C.[I-] I- 1 4.376 2 0 6.7319541097115 24761361 CC1=CC2=C(C=C1)S/C(=C\C3=CC=CC=[N+]3C)/N2C.[I-] I- 1 4.862 2 0 6.67683456404352 24761360 C=CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)Cl.Br Br- 1 3.696 3 1 -6.29645112185134 24761359 CCOC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.369 4 5 0 -20.1893697541913 24761358 C1CN=C2N(C1)C3=CC=CC=C3N2CC4=C(C=C(C=C4)Cl)Cl.Cl Cl- 1 4.158 3 0 -3.5226031017535 24761357 CC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2OC)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)S(=O)(=O)C)OC 1 4.685 4 7 0 -18.7593546654659 24761356 CC1=CC=CC=C1OCCOC2=C(C=C(C=C2OC)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)S(=O)(=O)C)OC 1 4.685 4 7 0 -18.2460559381444 24761355 COC(=O)C1=CC(=CC(=C1)C2=C(ON=C2C3=CC4=C(C=C3)OCO4)C5=CSC=C5)[N+](=O)[O-] 1 4.739 2 7 0 -3.07977476653935 24761354 CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3)F 1 3.365 1 1 3.68598122954742 24761353 CC1=C(C(=NO1)C2=CC3=C(C=C2)OCO3)C4=CN=C(C=C4)OC 1 3.035 2 4 -1.10512325060057 24761352 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C#CC3=CC=CC=N3 1 3.714 2 4 -5.196433360165 24761351 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC(=C(C=C4)F)OC)OCC.Cl Cl- 1 4.648 2 3 -9.7102820282844 24761350 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CN=C(C=C3)OC 1 3.217 2 5 0 -4.82240162960843 24761349 C[N+](C)(C)CC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3C=C2.[Cl-] Cl- 1 -3.5e-002 4 1 0 -1.66197562640218 24761348 CC(C)CN1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CN=[N+]=[N-] 1 3.54 5 1 -3.63500222237496 24761347 COC1=C/C(=C/NNC2=CC=NC(=O)N2)/C=CC1=O 1 -0.51 4 3 0 -2.13338438193909 24761346 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)/C=C/C3=CC=C(C=C3)C(=O)O 1 3.943 1 6 0 -5.53619194328381 24761345 COC1=NC=C(C=C1)C2=C(ON=C2C3=CC=CO3)C4=CC=CC=C4 1 4.326 2 3 4.57486748864772 24761344 CN(C)C1=NC=C(C=C1)C2=C(ON=C2C3=CC=CO3)C4=CC=CC=C4 1 3.885 3 2 5.68535840910659 24761343 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C#CC3=CSC=C3 1 4.098 1 4 -3.04380494033695 24761342 CCOC(=O)C1=C(C=C(C=C1)C2=C(ON=C2C3=CC(=C(C(=C3)OC)OC)OC)C)F 1 4.255 1 6 0 -6.14624069050731 24761341 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C#CC3=CC=C(C=C3)N 1 3.689 2 4 -0.158342517000322 24761340 CC(C)CN1CCC(=O)N(CC1)CCC#N 1 0.823 3 1 0 -12.8390054734164 24761339 CC(C)C[C@@H](COC1=CC=CC=C1)N2CCN(CCC2=O)C 1 2.894 2 2 -4.57978671569575 24761338 C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)COC3=CC=CC=C3)CC4=CC=CC=C4 1 4.801 2 2 -1.04582735521876 24761337 CCCN1CCC(=O)N(CC1)[C@H](COC2=CC=CC=C2)C3=CC=CC=C3 1 3.769 2 2 -8.3999122693508 24761336 CN(C)C1=NC=C(C=C1)C2=C(ON=C2C3=CC4=C(C=C3)OCO4)C5=CSC=C5 1 3.92 3 3 1.46100097059222 24761335 C1CN(CCN(C1=O)CCN=[N+]=[N-])CC2=CC=CC=C2 1 1.998 5 1 0 -6.6639575732981 24761334 CCOC(=O)C1=C(C=C(C=C1)C2=C(ON=C2C3=CC4=C(C=C3)OCO4)C5=CSC=C5)F 1 5.399 1 5 -0.875599110491139 24761333 CC1=C(C(=NO1)C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)NC=C5 1 3.956 2 3 1.70005405582308 24761332 CC(C)C[C@@H](CSC1=CC=CC=C1)N2CCN(CCC2=O)C 1 3.452 2 1 -4.74947368570488 24761331 C1CN(CCN(C1=O)CCOC2=CC=CC=C2)CCC3=CC=CC=C3 1 3.189 2 2 -5.80512818996533 24761330 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C#CC3(CCCCC3)O 1 4.027 1 5 -5.42069396484968 24761329 COC1=C(C=CC(=C1)C2=C(ON=C2C3=CC=CO3)C4=CC=CC=C4)F 1 5.143 1 3 6.9382544297187 24761328 C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)C#CC4=CC=C(C=C4)N 1 4.326 1 2 2.60550538205759 24761327 CCOC(=O)C1=C(C=C(C=C1)C2=C(ON=C2C3=CC=CO3)C4=CC=CC=C4)F 1 5.364 1 4 3.48859623224487 24761326 C1=CC=C(C=C1)C2=C(C(=NO2)C3=CC=CO3)C4=CC5=C(C=C4)NC=C5 1 5.247 2 2 7.51988269929301 24761325 CC1=C(C(=NO1)C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)F)OC 1 3.852 1 4 1.11842578624876 24761324 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C#CCO 1 2.313 1 5 -2.36360090703836 24761323 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 4.207 2 6 0 -5.13307579123692 24761322 C1CN(CCN(C1=O)[C@H](CO)C2=CC=CC=C2)CC3=CC=CC(=C3)C#N 1 2.187 3 2 -8.03760184390867 24761321 CC(C)C[C@@H](CO)N1CCN(CCC1=O)CC2=CC(=C(C=C2)OC)OC 1 2.273 2 4 -7.98936961950525 24761320 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC 1 3.595 2 8 0 -9.16672393815758 24761319 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)/C=C/C3=CC=C(C=C3)N 1 3.566 2 4 -1.55418004967249 24761318 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)/C=C/C3=CC=C(C=C3)OC(=O)C 1 4.081 1 6 0 -5.64709057960492 24761317 CC(C)C[C@@H](CO)N1CCN(CCC1=O)CC2=CC=C(C=C2)OC 1 2.289 2 3 -3.56233177985286 24761316 CC(C)C[C@@H](CO)N1CCN(CCC1=O)CCCC2=CC=CC=C2 1 3.083 2 2 -3.75540727962199 24761314 CC(C)C[C@@H](CSC1=CC=CC=C1)N2CCN(CCC2=O)CC(C)C 1 4.644 2 1 -7.55835657047923 24761313 CC(C)CN1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CSC3=CC=CC=C3 1 4.968 2 1 -4.11026042205454 24761312 C1CN(CCN(C1=O)CCSC2=CC=CC=C2)CCC3=CC=CC=C3 1 3.747 2 1 -5.93473814415991 24761311 CC(C)C[C@@H](CSC1=CC=CC=C1)N2CCN(CCC2=O)CCC3=CC=CC=C3 1 5.356 2 1 -4.24165615201756 24761310 C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)CSC3=CC=CC=C3)CCC4=CC=CC=C4 1 5.681 2 1 -0.594988910741254 24761309 C1CN(CCN(C1=O)[C@H](CSC2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC=CC=C4 1 5.359 2 1 -6.44518877537224 24761308 CC(C)C[C@@H](COC1=CC=CC=C1)N2CCN(CCC2=O)CC3=CC=CC=C3 1 4.477 2 2 -4.69249459649506 24761307 C1CN(CCN(C1=O)CCOC2=CC=CC=C2)CC3=CC=CC=C3 1 2.868 2 2 -6.19262818831914 24761306 COC1=CC(=CC(=C1OC)OC)C2=C(ON=C2C3=CC=CO3)C4=CC=CC=C4 1 4.905 1 5 2.89312840288412 24761305 CC(C)C[C@@H](CN=[N+]=[N-])N1CCN(CCC1=O)CC2=CC=CC=C2 1 3.607 5 1 -4.38692336682462 24761304 C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)CO)CC3=CC=C(C=C3)Br 1 3.378 2 2 1.15567207810121 24761303 C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)CO)CC3=CC=C(C=C3)O 1 2.388 2 3 2.39346669769598 24761302 CN1CCC(=O)N(CC1)CCOC2=CC=CC=C2 1 1.284 2 2 0 -6.07992030751983 24761301 CN1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)COC3=CC=CC=C3 1 3.218 2 2 -0.797946920922904 24761300 CCCN1CCC(=O)N(CC1)CCOC2=CC=CC=C2 1 2.157 2 2 -7.92953865395303 24761299 CCCN1CCC(=O)N(CC1)[C@@H](CC(C)C)COC2=CC=CC=C2 1 3.766 2 2 -6.19637964599612 24761298 COC1=C(C=CC(=C1)C2=C(ON=C2C3=CC4=C(C=C3)OCO4)C5=CSC=C5)F 1 5.178 1 4 2.57405908698268 24761297 CCOC(=O)C1=C(C=C(C=C1)C2=C(ON=C2C3=CC4=C(C=C3)OCO4)C)F 1 4.072 1 5 -2.33123241122506 24761296 C1OC2=C(O1)C=C(C=C2)C3=NOC(=C3C4=CC5=C(C=C4)NC=C5)C6=CSC=C6 1 5.282 2 3 3.155687356557 24761295 CC(C)CN1CCC(=O)N(CC1)CCOC2=CC=CC=C2 1 2.476 2 2 -9.46518073589065 24761294 CC(C)C[C@@H](COC1=CC=CC=C1)N2CCN(CCC2=O)CC(C)C 1 4.085 2 2 -7.38866960047009 24761293 CC(C)CN1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)COC3=CC=CC=C3 1 4.41 2 2 -3.9405734520454 24761292 CC(C)CN1CCC(=O)N(CC1)[C@H](COC2=CC=CC=C2)C3=CC=CC=C3 1 4.088 2 2 -9.92594587017292 24761291 CC(C)C[C@@H](COC1=CC=CC=C1)N2CCN(CCC2=O)CCC3=CC=CC=C3 1 4.798 2 2 -4.07196918200842 24761290 C1CN(CCN(C1=O)[C@H](COC2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC=CC=C4 1 4.801 2 2 -6.2755018053631 24761289 CN1CCC(=O)N(CC1)CCSC2=CC=CC=C2 1 1.843 2 1 0 -6.2095302617144 24761288 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C1CN(CCN(C1=O)[C@H](CO)C2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.203 3 4 0 -7.15426451937239 24761275 CC(C)CN1CCC(=O)N(CC1)[C@H](CO)C2=CC=CC=C2 1 1.917 2 2 0 -9.19763174916618 24761273 CN1CCC(=O)N(CC1)[C@H](CSC2=CC=CC=C2)C3=CC=CC=C3 1 3.455 2 1 -6.95300630905956 24761272 C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)CO)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.524 3 4 0 -1.3040646547414 24761271 CCCCCCCN1CCC(=O)N(CC1)[C@H](CO)C2=CC=CC=C2 1 3.422 2 2 -7.63689610329392 24761270 CCCN1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CSC3=CC=CC=C3 1 4.648 2 1 -2.58422682123241 24761269 C1CN(CCN(C1=O)CCN=[N+]=[N-])CCC2=CC=CC=C2 1 2.319 5 1 -6.27645757494429 24761268 C1CN(CCN(C1=O)[C@H](COC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4 1 4.48 2 2 -6.89602721984974 24761267 C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)CO)CC3=CC=CC(=C3)C#N 1 2.508 3 2 -2.18740197927769 24761266 COC1=CC=C(C=C1)CN2CCC(=O)N(CC2)[C@@H](CC3=CC=CC=C3)CO 1 2.613 2 3 0.377366923471688 24761264 C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)CO)CCCC3=CC=CC=C3 1 3.407 2 2 -0.108740038345689 24761263 CCCCCCCN1CCC(=O)N(CC1)[C@@H](CC(C)C)CO 1 3.419 2 2 -5.80182885900557 24761262 CCCCCCCN1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CO 1 3.743 2 2 -1.6515236851664 24761260 C1CN(CCN(C1=O)CCO)CC2=CC=C(C=C2)Br 1 1.445 2 2 0 -3.96683008230941 24761259 C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)CO)CC3=CN=CC=C3 1 1.479 3 2 0 -1.15308885224241 24761258 C1CN(CCN(C1=O)CCO)CC2=CC=C(C=C2)[N+](=O)[O-] 1 0.591 3 4 0 -6.42656681515202 24761257 C1CN(CCN(C1=O)CCO)CCCC2=CC=CC=C2 1 1.474 2 2 0 -5.17123615284089 24761255 COC1=C(C=C(C=C1)CN2CCC(=O)N(CC2)[C@@H](CC3=CC=CC=C3)CO)OC 1 2.597 2 4 -4.0496709161807 24761254 CC(C)C[C@@H](CO)N1CCN(CCC1=O)CC2=CC=C(C=C2)Br 1 3.054 2 2 -2.78402662522334 24761253 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C#CC3(CCCCC3)N 1 3.738 2 4 -5.05185060669825 24761252 C1OC2=C(O1)C=C(C=C2)C3=NOC(=C3C4=CC=C(C=C4)C5=NC6=CC=CC=C6C(=C5)C(=O)O)C7=CSC=C7 1 6.752 2 5 0 -1.9992233217929 24761251 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=C(C=C3)F)OC 1 4.034 1 5 -2.03490265727473 24761250 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC4=C(C=C3)NC=C4 1 4.139 2 4 -2.18599717209422 24761249 CC(C)C[C@@H](CN=[N+]=[N-])N1CCN(CCC1=O)C 1 2.024 5 1 -4.64268086509163 24761248 CN1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CN=[N+]=[N-] 1 2.348 5 1 -0.492375691252463 24761247 CC(C)C[C@@H](CO)N1CCN(CCC1=O)CC2=CC=C(C=C2)O 1 2.063 2 3 -1.54623200562857 24761246 CCCCCCCN1CCC(=O)N(CC1)CCO 1 1.81 2 2 0 -7.21765773222447 24761245 C1CN(CCN(C1=O)CCO)CC2=CC=CC(=C2)C#N 1 0.575 3 2 0 -7.21250991316353 24761244 CCCN1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)COC3=CC=CC=C3 1 4.09 2 2 -2.41453985122328 24761243 CC/C(=C/C1=CC=CC=C1)/C2=C3C4=C(C(=CC=C4)OC)NC3=CC=C2 1 6.195 1 1 0.875975132094411 24761242 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CN=C(C=C3)N(C)C 1 2.776 3 4 0 -3.880683558059 24761241 COC1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)C4=CN=C(C=C4)OC)C#CC5(CCCCC5)O 1 6.517 1 4 3.6703364626452 24761240 C1CN(CCN(C1=O)[C@H](CO)C2=CC=CC=C2)CC3=CN=CC=C3 1 1.158 3 2 0 -7.0032887168734 24761239 CN1CCC(=O)N(CC1)CCN=[N+]=[N-] 1 0.415 5 1 0 -6.91971507156512 24761238 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)NCCC3=CNC4=CC=CC=C43 1 3.733 3 5 0 -18.8966908028851 24761237 C1CN(CCN(C1=O)[C@H](CC#N)CC2=CC=CC=C2)CC3=CC=CC=C3 1 3.148 3 1 -2.7215528531467 24761235 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)NCCO 1 0.996 2 6 0 -16.2823756013795 24761234 C1OC2=C(O1)C=C(C=C2)C3=C(ON=C3C4=CC=CO4)C5=CC=CC=C5 1 4.722 1 4 5.16936216045256 24761233 CC(C)C[C@@H](CC#N)N1CCN(CCC1=O)CCC2=CC=CC=C2 1 3.145 3 1 -5.74769467993637 24761232 CN1CCC(=O)N(CC1)[C@H](CC#N)C2=CC=CC=C2 1 1.243 3 1 0 -8.45904483697838 24761231 C1CN(CCN(C1=O)[C@H](CC#N)CC2=CC=CC=C2)CCC3=CC=CC=C3 1 3.469 3 1 -2.10102743866007 24761230 CC(C)C[C@@H](CN=[N+]=[N-])N1CCN(CCC1=O)CC(C)C 1 3.216 5 1 -7.45156374986597 24761229 CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C#CC3=NC=CN3C 1 2.935 3 4 0 -4.58805602035125 24761228 CC(C)CN1CCC(=O)N(CC1)CCSC2=CC=CC=C2 1 3.034 2 1 -9.59479069008522 24761227 CN1CCC(=O)N(CC1)[C@H](CN=[N+]=[N-])C2=CC=CC=C2 1 2.027 5 1 -6.47774810937999 24761226 CCCN1CCC(=O)N(CC1)[C@@H](CC(C)C)CN=[N+]=[N-] 1 2.896 5 1 -6.259273795392 24761225 CCCN1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CN=[N+]=[N-] 1 3.221 5 1 -2.10896862155284 24761224 CC(C)CN1CCC(=O)N(CC1)CCN=[N+]=[N-] 1 1.606 5 1 0 -10.3049754999359 24761223 C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)COC3=CC=CC=C3)CCC4=CC=CC=C4 1 5.122 2 2 -0.425301940732117 24761222 COC1=C(C=C(C=C1)CN2CCC(=O)N(CC2)[C@H](CO)C3=CC=CC=C3)OC 1 2.276 2 4 -9.89987078081168 24761221 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=CC=C4F 1 3.315 4 4 0 -8.75221271693515 24761220 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)CNC(=O)C2=CN=CC=C2 1 1.452 5 2 0 -19.2826700065155 24761219 CC(C)C1=NN2C(=N)/C(=C\C3=CC=C(C=C3)OCCOC4=CC=C(C=C4)NC(=O)C)/C(=O)N=C2S1 1 4.296 5 4 0 -23.192960008875 24761218 CCOC(CCNC(=O)C1=CN(C(=O)C2=C1C3=CC=CC=C3N2C)CC(C)C)OCC 1 2.974 3 4 0 -13.5309908232582 24761217 CC(=NNC(=S)N)C1=CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCC(C4)O)C)C 1 4.045 3 1 -11.6791950024322 24761216 CC1=CC=C(C=C1)C(CCN2CCCCC2)(C3=CC=CC=C3)O.Cl Cl- 1 4.298 1 1 2.60168573904671 24761215 CC(C)OC1=C(C=C(C=C1)/C=C/2\CCC(C2=O)C3CCCC3)OC 1 5.174 0 3 -6.39408318397233 24761214 CCC1C/C(=C\C2=CC(=C(C=C2OC)OC)OC)/C(=O)/C(=C/C3=CC(=C(C=C3OC)OC)OC)/C1 1 5.747 0 7 0 -4.41860579143237 24761213 COC1=C(C(=C(C=C1)/C=C/2\CCC(C2=O)C3CCCC3)OC)OC 1 4.431 0 4 -2.54770896701899 24761212 C1=CC(=CC=C1C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)F)F 1 2.43 3 2 -8.85623084625604 24761211 CC1=CC(=CC=C1)NC(=O)CCC(=O)NN/C=C/2\C=C(C=CC2=O)OC 1 0.516 3 4 0 -6.64658865540401 24761210 CCOCCCNC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C3=CC=CC=C3O2)C 1 2.211 2 4 -12.2601457181441 24761209 C1C[N+]2(CCC1C(C2)O)CC(=O)C3=CC=C(C=C3)Br.[Br-] Br- 1 0.827 1 2 0 -1.78163376677134 24761208 CCOC1=CC=C(C=C1)C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)F 1 2.557 3 3 -9.20910126489065 24761207 CCOC(CCNC(=O)C1=CN(C(=O)C2=C1C3=CC=CC=C3N2C)C)OCC 1 1.782 3 4 0 -13.8570386698192 24761206 COC(CNC(=O)CN1CCN(C1=O)CC2=C(C=C(C=C2)F)Cl)OC 1 1.051 3 4 0 -16.7967525943473 24761205 COC1=CC(=C(C=C1/C=C\2/CC3=CC=CC=C3C2=O)OC)OC 1 3.757 0 4 -1.5886234364074 24761204 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)N(N=C3C4=CC(=CC=C4)OC)C 1 3.064 4 4 0 -2.20418385094677 24761203 COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCC3=CC=C(C=C3)Cl)OC 1 4.411 3 2 -4.15099743060868 24761202 COC1=CC=CC=C1/C=C/2\CCC(C2=O)C3CCCC3 1 4.464 0 2 -2.01097928816733 24761201 CCC1=NC2=C(C(=N1)NC3=CC(=CC=C3)O)OC4=CC=CC=C42.Cl Cl- 1 3.815 3 2 9.19815534741688 24761200 COC1=C(C=C(C=C1)CCN/C(=C/2\C(=O)C3=CC=CC=C3NC2=O)/O)OC 1 2.414 2 5 0 -12.4389419606074 24761198 CC1=C2/C(=C\3/C=CC=C(C3=O)OC)/C(=C(N=C2N(N1)C4=CC=CC=C4)N)C#N 1 1.117 5 2 0 -6.16294553670134 24761197 CCOC(CCNC(=O)CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)C)OCC 1 1.976 5 4 0 -12.6703459309098 24761196 CC(=O)OC(C[N+]1(CCCCCC1)C)C2=CC=CC=C2.[I-] I- 1 1.79 1 2 0 -5.21566020720974 24761195 CC1=CC=C(C=C1)N2C(=O)/C(=C/NNC(=O)C3=C(C=C(C=C3)O)O)/C(=N2)C 1 1.285 4 4 0 -0.420047912602824 24761194 CN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)F.Br Br- 1 2.62 3 1 -4.26863041095238 24761193 COC1=CC(=C(C=C1)/C=C/2\CCC(C2=O)C3CCCC3)OC 1 4.448 0 3 -1.47352051903293 24761192 CCOC1=C(C=C(C=C1)/C=C/2\CCC(C2=O)C3CCCC3)OC 1 4.797 0 3 -7.48489558548636 24761191 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)N3CCN(CC3)C(=O)OCC)C 1 0.964 4 6 0 -19.4247228824178 24761190 CC1=CC(=O)/C(=C/2\C(=CNN2)C(=O)C3=CC=C(C=C3)OC)/C=C1 1 1.394 2 3 0 -6.57748509317246 24761189 C[C@]12CCC(C[C@@H]1CCC3C2CC[C@]4(C3CCC4=NNC(=O)C5=CC=NC=C5)C)O 1 3.531 3 2 -15.5921586404951 24761188 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NC4=CC=C(C=C4)O.Cl Cl- 1 3.193 3 2 9.43957419998448 24761187 CCCOC1=CC=C(C=C1)C(CCN2CCCCC2)(C3=CC=CC=C3OC)O.Cl Cl- 1 4.651 1 3 0.307390291079677 24761186 CCOC(=O)C1=C(OC2=CC(=C(C=C21)O)Br)CN3CCN(CC3)C4=CC=CC=C4.Cl Cl- 1 4.625 2 4 -0.227283462812289 24761185 COC1=CC=CC(=C1)/C=C/2\CCC(C2=O)C3CCCC3 1 4.464 0 2 -1.64540753138452 24761184 CC1=C(C(=CC=C1)N2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC(=O)NCCOC)/C(=O)NC2=O)C 1 3.047 4 5 0 -13.1864085024534 24761183 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC(=C(C=C4)C)C)C(=C2)C 1 4.647 4 1 -2.73266676271551 24761182 C1=CC(=CC=C1CN2C(=CC(=O)NC2=O)[O-])F.[NH4+] NH4+ 1 0.719 2 3 0 -5.41144298223463 24761181 CC1CN(CC(O1)C)C2CCN(CC2)CC3=CC=C(C=C3)C.Cl Cl- 1 2.943 2 1 1.42342170302314 24761180 COC1=CC=CC=C1OC\2=CNN/C2=C/3\C=CC(=CC3=O)OCC(=O)NN 1 -1.102 4 5 0 -9.64203331502149 24761179 C1=CC2=C(C(=C1)O)N/C(=C\C=C/3\C=CC(=O)C(=C3)Br)/C=C2 1 3.164 1 2 4.4341488442757 24761178 CC(=NNC(=O)CNC(=O)C1=CN=CC=C1)C2=CC(=C(C=C2)OC)OC 1 0.54 4 4 0 -19.3382950317301 24761177 COC1=CC=C(C=C1)OC\2=CNN/C2=C/3\C=CC(=CC3=O)OCC(=O)NN 1 -1.102 4 5 0 -7.87253811977139 24761176 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)OCC)C(=C2)C 1 4.007 4 2 -3.29489605786944 24761175 COC1=CC=CC2=C1C=C(N2)C(=O)NCC3=CC=CC=C3.Cl Cl- 1 3.19 2 2 -3.56516639236527 24761173 CC(=O)NC1C2=C(C=CC(=C2)F)N(C1=O)CCN3CCOCC3.Cl Cl- 1 0.136 3 3 0 -8.6011841107406 24761172 C[C@H](C(=O)NCC1CCC(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N.Cl Cl- 1 -1.109 3 4 0 -19.0032583339959 24761171 CC(C)[C@@H](C(=O)NCC1CCC(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N.Cl Cl- 1 -0.267 3 4 0 -19.613138810441 24761170 CCOC(CCNC(=O)C1=CN(C(=O)C2=C1C3=CC=CC=C3N2C)CCOC)OCC 1 1.652 3 5 0 -14.2905568116557 24761169 CSCC[C@@H](C(=O)NCC1CCC(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N.Cl Cl- 1 -0.782 3 4 0 -23.0765805378357 24761168 CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C.[I-] I- 1 4.924 2 0 3.86666350694368 24761166 C1C[N+]2(CCC1C(C2)CO)CC(=O)C3=CC=C(C=C3)Br.[Br-] Br- 1 0.826 1 2 0 -0.60096665024724 24761165 CCCC1=NC2=CC3=C(C=C2N1)N(C(=O)N3C)C.Cl Cl- 1 2.004 4 1 -6.1424244734442 24761164 CC(C)(C)C(CN1CCCC1)OC(=O)C2=CC=CC=C2.Cl Cl- 1 3.779 1 2 -3.91549896741707 24761163 CCOC(CCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3NC2=O)OCC 1 2.647 2 4 -16.417928743377 24761162 COC1=CC=C(C=C1)C(CCN2CCCCC2)(C3CCCCC3)O.Cl Cl- 1 4.401 1 2 0.476899012597403 24761161 CCCCCCC(CCN1CCCCC1)(C2=CC=CC=C2)O.Cl Cl- 1 4.926 1 1 -1.00201517203828 24761160 CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCCN3CCCC3.Cl Cl- 1 4.033 1 3 0.733748070335128 24761159 COC(CNC(=O)CN1CCN(C1=O)CC2=CC=CC=C2F)OC 1 0.386 3 4 0 -19.4353488055208 24761158 CC1=CC2=C(C=C1)NC(=C2/C=C/C3=CC=[N+](C=C3)C)C.[I-] I- 1 4.346 2 0 5.31703569526648 24761157 C1CC2=C(C3=CC=CC=C3N=C2C1)NC4=CC(=CC=C4)F.Cl Cl- 1 4.836 2 0 8.27618157444557 24761156 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC3=CC=CC=N3.Cl Cl- 1 2.081 3 2 -4.88838546019255 24761155 CC1=CC=CC=C1/C=C\2/C3=C(C=CC(=C3)F)NC2=O 1 3.422 1 1 -1.1227961047151 24761154 CC1=CC2=C(C=C1)N(C(=C2/C=C/C3=CC=[N+](C=C3)C)C)C.[I-] I- 1 4.551 2 0 5.43469315170208 24761153 C[N+]1=CC=C(C=C1)/C=C/C2=CNC3=C2C=C(C=C3)F.[I-] I- 1 3.919 2 0 8.81638544333696 24761152 CCOC(=O)CC(C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3.Cl Cl- 1 3.212 2 5 0 -15.9740266181004 24761151 CC1CC2=CC=CC=C2N1C(=O)CN3CCCCC3.Cl Cl- 1 2.531 2 1 -7.10149036505985 24761150 CCOC1=CC=C(C=C1)C(=O)OC(C)CN2CCN(CC2)C.Cl Cl- 1 2.491 2 3 -3.5107314218185 24761149 CC1=CC(=C(C=C1)C)NC(=O)C2=C/C(=C\3/C=CC=CC3=O)/NN2 1 1.587 3 2 0 -7.77198084998059 24761148 CC1=C(C(=O)OC2=C1C=CC(=C2CNCC3=CC(=C(C=C3)OC)OC)O)CC(=O)OC.Cl Cl- 1 3.042 1 7 0 -7.47403743497941 24761147 CC(=O)NC1C2=C(C=CC(=C2)Cl)N(C1=O)CCN3CCOCC3.Cl Cl- 1 0.595 3 3 0 -7.30145273101424 24761146 CC1=CC2=C(C=C1)NC=C2/C=C/C3=CC=[N+](C=C3)C.[I-] I- 1 4.2 2 0 8.51958091787881 24761145 COC1=CC=CC=C1N2CCN(CC2)CCC(=O)NC3=CC(=CC=C3)Cl.Cl Cl- 1 3.482 3 2 0.540274814286914 24761144 CC\1=NN(C(=O)/C1=C/NNC(=O)C2=C(C=C(C=C2)O)O)C3=CC=CC=C3 1 0.799 4 4 0 -0.493054513411253 24761143 C1CN(C(=C(C(=O)C(Cl)Cl)[N+](=O)[O-])N1CC2=CN=C(C=C2)Cl)CC3=CN=C(C=C3)Cl 1 4.167 5 3 0 -3.58207183831849 24761142 CN1C2=CC=CC=C2C3=C1[C@]4(CCCN4CC3)C5=CC=CC=C5.Cl Cl- 1 4.698 2 0 0.758169158171061 24761141 CCOC1=CC=CC=C1OC\2=CNN/C2=C/3\C=CC(=CC3=O)OCC(=O)NN 1 -0.754 4 5 0 -10.6475731405809 24761140 CCC1CO/C(=C(\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])/N1CC2=CN=C(C=C2)Cl 1 4.415 3 3 -0.344287753535189 24761139 COC1=CC=C(C=C1)C\2=CNN/C2=C/3\C=CC(=CC3=O)OCC(=O)NN 1 -0.888 4 4 0 -5.24195259891646 24761138 C1CN(CCN1CC2=CC=CC=C2)C(=O)[C@@H]3CC4=CC=CC=C4CN3.Cl Cl- 1 2.384 3 1 -1.92200627830989 24761137 C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)[C@@H](CO)C3=CC=CC=C3)C.[I-] I- 1 0.366 1 3 0 -8.27169068171498 24761134 C1=C/C(=C\NNC2=CC=NC(=O)N2)/C(=O)C=C1 1 -0.198 4 2 0 -4.69964036108875 24761132 CCC1=NC2=C(C(=N1)NC3=CC=CC=C3O)OC4=CC=CC=C42.Cl Cl- 1 3.815 3 2 8.62522534817891 24761131 CC1=CC2=C(C=C1)C=C(N2)C3=C[N+](=CC=C3)CC=C.[Br-] Br- 1 4.64 2 0 4.95986685119574 24761130 CC1(C2=C(C[C@@H]3N1C(=O)CN(C3=O)N)C4=CC=CC=C4N2)C.Cl Cl- 1 0.794 4 2 0 -5.21697147037221 24761129 COC1=C(C=C(C=C1)/C=C/2\CCC(C2=O)C3CCCC3)OC 1 4.448 0 3 -5.98128648825786 24761128 CC(C)C(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 3.99 2 1 -4.2261751166165 24761127 C1=CC=C2C(=C1)C3=C(C2=O)N=CC=C3.Cl Cl- 1 2.2 1 1 2.18767759987026 24761125 CC1C/C(=C\C2=CC(=C(C=C2OC)OC)OC)/C(=O)/C(=C/C3=CC(=C(C=C3OC)OC)OC)/C1 1 5.29 0 7 0 -4.16239600228773 24761124 COC1=CC2=C(C=C1)NC3=C2CCNC3C4=CC=C(O4)[N+](=O)[O-].Cl Cl- 1 2.93 3 4 0 -6.88042702428242 24761123 C1=CC=C(C=C1)N/N=C\2/C(=O)NC=NC2=O 1 0.839 4 2 0 -6.13995991046189 24761121 COC1=C(C(=NC=C1)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)C(O)(F)F)OC.[Na+] Na+ 1 2.456 3 4 0 3.85986427465953 24761120 C1=CC=C2C(=C1)N/C(=C/3\C=CC=NC3=O)/N2CC4=CC(=CC=C4)F 1 3.976 3 1 -2.99559804492553 24761119 CC1=CC2=C(C=C1C)N(/C(=C\3/C=CC=NC3=O)/N2)CC4=CC(=CC=C4)F 1 4.949 3 1 -2.50503214800481 24761118 C1=CC=C2C(=C1)N/C(=C/3\C=CC=NC3=O)/N2CC4=CC(=CC=C4)Cl 1 4.435 3 1 -2.44075592142407 24761115 C1=CC=C2C(=C1)C(=O)/C(=C(\NC3=CC=CC=C3S(=O)(=O)N)/O)/C(=O)N2 1 1.102 3 5 0 -12.4629409413209 24761114 CN(C)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.233 3 1 -9.13535183286709 24761112 CCN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F.Cl Cl- 1 3.382 3 2 -2.17145412965548 24761109 CCOC(=O)CCNC(=O)NC1=C(N=C2C(=C1)N=C(N2CC3=CC(=CC=C3)Cl)C)C 1 2.811 5 3 0 -17.1007219099168 24761108 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3C 1 3.002 4 1 -0.618159026448951 24761104 CC1=C(C=C2C(=N1)N(C(=N2)C)CC3=CC=CC=C3)NC(=O)C 1 1.847 4 1 0 -9.45443313931306 24761099 CC1=CC2=NC(=CN2C=C1)C3=CC(=C(C=C3)O)O.Cl Cl- 1 2.519 2 2 7.63024734971973 24761096 CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C)F.Cl Cl- 1 0.865 3 2 0 -5.70242946255008 24761095 C1CNCC2=C1NC3=C2C=CC=C3Cl.Cl Cl- 1 2.405 2 0 2.81171618559004 24761093 CS(=O)(=O)O.C1CC2C3=C(C1)C4=C(N3CCN2)C=CC(=C4)C(=O)O CS(=O)(=O)O 1 -0.189 2 2 0 2.1756213253419 24761089 CCN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)C(=O)C.Cl Cl- 1 1.002 3 2 0 -8.57753930799838 24761088 CCN1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)C)Br.Cl Cl- 1 2.497 3 1 -3.23684393855286 24761087 CN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F.Cl Cl- 1 3.033 3 2 8.99490876020285e-002 24761086 C1=CSC(=C1)CNCC(=O)NC2=CC=C(C=C2)OC(F)(F)F.Cl Cl- 1 3.863 2 2 -2.83941485665404 24761081 CC1=NN=C(N1N)NN=CC2=CC(=C(C=C2)OC)OC(=O)C.Cl Cl- 1 0.237 6 3 0 -12.2078551853697 24761079 CC1=C(C=C(C=C1)NC(=O)CNCC2=CC=CS2)Br.Cl Cl- 1 2.978 2 1 -3.90480466555142 24761077 CC1=CC(=C(C=C1)C)N2CCN(CC2)CCN3CCCCC3.Cl Cl- 1 3.977 3 0 1.9252770291512 24761076 CCCN1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)OCC)OCC.Cl Cl- 1 2.451 3 3 -7.69593839778382 24761075 COC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC(=O)NN/C=C/3\C=CC(=O)C=C3O 1 0.152 5 5 0 -13.4348681728751 24761074 CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=S)NCCCN(C)C)C#N)C 1 4.043 6 0 -6.88663067961768 24761073 CC1=CC2=C(C=C1C)N=C(N2)C3CCN(CC3)CC(=O)NCC=C 1 2.881 4 1 -9.52701990930671 24761072 C1CN(CCN1)CC2=CC=CC=N2.Cl Cl- 1 0.389 3 0 0 -4.09177881268652 24761070 C1CN(CCN1CC2=CC=CC=C2)CC(CN)O.Cl Cl- 1 0.521 3 1 0 -0.147246629648635 24761067 CC1=C[N+](=CC=C1)CC(=O)NC2=C(C=CC(=C2)Cl)OC.[Cl-] Cl- 1 3.205 2 2 -5.28356271918784 24761066 CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)NC3=CC=CC(=C3)C(=O)C.Br Br- 1 2.118 4 2 2.4368013525569 24761065 CC(=O)C1=CC=C(C=C1)NC(=O)CNC2CCCCC2.Cl Cl- 1 2.018 2 2 -7.13525247067297 24761063 CN1C=C(C2=C1C=CC(=C2)OC)/C=C/C3=CC=[N+](C=C3)C.[I-] I- 1 3.903 2 1 6.29188594797242 24761062 CN1C=C(C2=C1C=CC(=C2)F)/C=C/C3=CC=[N+](C=C3)C.[I-] I- 1 4.125 2 0 7.6611610914097 24761061 CCN1C=C(C2=CC=CC=C21)/C=C/C3=CC=[N+](C=C3)C.[I-] I- 1 4.269 2 0 2.85191107501783 24761060 CCC(C)[C@@H](C(=O)NCC1CCC(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N.Cl Cl- 1 0.19 3 4 0 -22.2047536177854 24761059 CN1C=C(C2=C1C=CC(=C2)Cl)/C=C/C3=CC=[N+](C=C3)C.[I-] I- 1 4.584 2 0 8.67718943719754 24761058 COC1=C(C=C(C=C1)C\2=CNN/C2=C/3\C=CC(=O)C=C3O)OC 1 0.508 2 4 0 -4.98440890921724 24761057 CC(=C)COC1=CC(=O)/C(=C/2\C(=C(NC=N2)C(F)(F)F)C3=CC=C(C=C3)OC)/C=C1 1 3.32 2 3 -5.25441490841719 24761056 COC1=CC2=C(C=C1)C=C(N2)C(=O)NCC3=CC=CC=C3.Cl Cl- 1 3.19 2 2 -1.80655843720191 24761055 CC(=C)COC1=CC(=O)/C(=C/2\C(=C(NC(=N2)N)C(F)(F)F)C3=CC=C(C=C3)OC)/C=C1 1 3.189 3 3 -7.5817109768228 24761054 C[C@@H]1CCC2[C@@]([C@@]13C[C@@](CO3)(CC(=O)[O-])CO)(CC[C@@H]([C@@]2(C)CO)O)C.O H2O 1 -0.597 0 6 0 -2.8821724370328 24761053 C[N+]1=C2C=C(C=CC2=NC3=CC=CC=C31)NCCO.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 2.809 3 1 4.11004347893706 24761052 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NCCN(CC)CC.Cl Cl- 1 2.245 5 2 0 -3.43600559726302 24761051 C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3C24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)NCC5=CC=C(C=C5)C(=O)O)C 1 2.637 1 9 0 -25.2161649282336 24748036 CCCC(C1=CC=C(C=C1)Br)(C(CN2CCOCC2)C3=CC=C(C=C3)Cl)O.Cl Cl- 1 5.221 1 2 -0.107568533224678 24748035 COC1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C4CCCCN4C3=O)OC 1 2.498 3 4 0 -15.2585506343109 24748034 CCOC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(CN3CCCC3)C4=CC=CC=C4)O.Cl Cl- 1 5.169 1 2 2.56572494010991e-002 24748033 CCCOC1=C(C=C(C=C1)/C=C/2\C(=NOC2=O)C)OCC 1 2.901 1 4 -1.68217906135561 24748032 CCOC1=C(C=CC(=C1)/C=C/2\C(=NOC2=O)C)OCC=C 1 2.645 1 4 -6.79305918251644 24748031 CC(C)CC(=O)/C(=C/C1=CC=C(C=C1)N(C)C)/N2C=NC=N2 1 2.812 4 1 -9.55864137026884 24748030 COC1=CC=C(C=C1)C(C2CCCCC2)(C(CN3CCCC3)C4=CC=CC=C4)O.Cl Cl- 1 5.425 1 2 -0.981377168315882 24748029 CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCCCN2CCOCC2)[N+](=O)[O-] 1 1.419 3 6 0 -21.2511053774875 24748028 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC=C(C=C4)F)OCC.Cl Cl- 1 4.664 2 2 -9.72049037346706 24748027 CCOC1=C(C=CC(=C1)C2C3=CC=CN3C4=CC=CC=C4CN2)OC.Cl Cl- 1 4.11 2 2 -12.1462506943067 24748026 C1CC2=CC(=CC3=C2N(C1)CCC3)CN.Cl Cl- 1 2.159 2 0 -3.14816537123469 24748025 CCOC(CNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=NC=C3)OCC 1 1.283 4 4 0 -18.5760490964351 24748024 CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C4CCCCN4C3=O 1 3.017 3 2 -14.9707497586109 24748023 C1CCC(CC1)C(C2=CC=CC=C2)(C(CN3CCOCC3)C4=CC=CC=C4)O.Cl Cl- 1 4.668 1 2 -4.33785728664944 24748022 CCC1=CC=C(C=C1)C(CC)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 4.294 1 2 -3.18586891036655 24748021 CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)F)C=O 1 4.461 2 1 1.38150199725415 24748020 COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C4CCCCN4C3=O 1 2.515 3 3 -14.1020586335175 24748019 CCC1=CC=C(C=C1)C(C(C)C)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 4.614 1 2 -2.67444205799842 24748018 CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C.Cl Cl- 1 4.447 4 0 14.7286935720264 24748017 CNC(=S)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F 1 4.123 3 0 -6.87096887806151 24748016 CC(C)CC(C1=CC=CC=C1)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 4.06 1 2 -4.61364923395497 24748015 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=C(C=C4)Cl)C(=O)O 1 4.932 3 5 0 -10.1401181079563 24748014 CC(CNCC1=CC(=C(C=C1)OC)OC)NCC2=CC(=C(C=C2)OC)OC.Cl Cl- 1 2.865 2 4 -3.31165807317289 24748013 CCN(CC)CCNC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.Cl Cl- 1 3.134 2 2 -10.0892265772424 24748012 CCOC1=C(C=CC(=C1)/C=C/2\C(=NOC2=O)C)OCC#C 1 3.221 1 4 -5.24043941270227 24748011 COC1=C(C(=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2OC)OC)OC 1 2.862 2 5 0 -15.2382188645278 24748010 C1CCN2C(=NC3=C(C2=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)F)C1 1 2.736 3 2 -11.651057067906 24748009 CC1=CC=C(C=C1)N2C3=NC(=C(C(=C3C(=N2)C)C)CCC(=O)NCC(OC)OC)C 1 3.479 4 3 0 -17.7280100815954 24748008 COC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C4CCCCN4C3=O)Br 1 3.263 3 3 -13.4606259900272 24748007 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC2=CC(=C(C=C2)OC)OC)CO)O)O 1 -0.823 1 8 0 -21.8402191717214 24748006 CCCC(C1=CC=C(C=C1)CC)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 4.751 1 2 -4.13175090732393 24748005 CC1=C(OC2=CC=CC=C12)C(=O)N3CCNCC3.Cl Cl- 1 1.746 2 2 0 -1.09890516564797 24748004 CCOC1=C(C=CC(=C1)CNC2=CC=CC3=C2N=C(N3)C)OC.Cl Cl- 1 3.314 3 2 -6.33126914766894 24748003 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC=C(C=C4)C(C)C)OCC.Cl Cl- 1 5.653 2 2 -10.1489077022807 24748002 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=C(C=CC=C4OC)O)OCC.Cl Cl- 1 4.2 2 4 -7.80911609040389 24748001 C1C2=CC=CC=C2N3C=CC=C3C(N1)C4=CC=CC=C4O.Cl Cl- 1 3.552 2 1 -3.17533398265377 24748000 CCOC(=O)C1CCCN(C1)C2=NC(=O)/C(=C/C3=C(C=C(C=C3)OC)OC)/S2 1 3.187 2 5 0 -10.2357744017612 24747999 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])CC(=O)OC 1 2.911 3 6 0 -8.48967117184085 24747998 CCCCCC(C1=CC=CC=C1)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 4.721 1 2 -5.54067306851844 24747997 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)COCC(=O)O 1 1.655 1 6 0 -14.1260842702655 24747996 COC1=CC=C(C=C1)C(O)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 1 4.248 0 5 -1.23608347162386 24747995 C1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-].[Br-] Br- 1 3.483 3 3 -4.89933155596443 24747994 C1C2=CC=CC=C2N3C=CC=C3C(N1)C4=CC(=CC=C4)F.Cl Cl- 1 3.999 2 0 -5.61869257804033 24747993 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC=C(C=C4)OC(F)F)OCC.Cl Cl- 1 5.264 2 3 -8.37038062589214 24747992 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC(=C(C=C4)OC)OC)OCC.Cl Cl- 1 4.426 2 4 -14.1070052222726 24747990 CC[N+]1=C(C=CC(=C1)C)/C=C/C2=CC=C(C=C2)N(C)C.[I-] I- 1 4.709 2 0 2.2088960048986 24747989 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC(=CC=C4)F)OCC.Cl Cl- 1 4.664 2 2 -9.00717043363404 24747988 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC=CC=C4O)OCC.Cl Cl- 1 4.217 2 3 -6.35295516353822 24747987 CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=C(C=CC(=C4)OC)F)OCC.Cl Cl- 1 4.648 2 3 -9.81648087511035 24747986 CSC1=CC=C(C=C1)C=NNC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.681 3 1 -4.77881157908218 24747985 CC1=C(C=CC=C1[N+](=O)[O-])NS(=O)(=O)C2=C(NC(=O)NC2=O)C 1 7.4e-002 4 6 0 -15.044481225939 24747984 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)OC(F)(F)F)S(=O)(=O)C4=CC=CC=C4 1 6.219 2 3 -16.1948020077093 24747983 CCC(C)NC(=O)CCN1C2=C(C=CC(=C2)F)N3C=CC=C3C1=O 1 2.921 3 2 -18.1512508313958 24747982 CCCCCCC(C1=CC=C(C=C1)OC)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 5.161 1 3 -4.94041760493657 24747980 CC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)[N+]3=CC=CC(=C3)Br.[Br-] Br- 1 5.441 1 1 2.12806377306362 24747979 C1CN(CCN1CCNC(=O)C2=CC(=CC=C2)Cl)C3=CC=CC=C3.Cl Cl- 1 3.47 3 1 -1.17728721317215 24747978 CC1=C(C=C(C(=N1)C)C2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N(C)C)C(=O)NN 1 9.6e-002 6 4 0 -9.65937457033478 24747977 CC(C(=O)C1=CC=CC=C1)[N+]2=CC=CC(=C2)Br.[Br-] Br- 1 3.923 1 1 -1.83048019644342 24747976 CC12CCCC[C@@H]1CCC3C2CCC4(C3CC[C@]4(CNCCO)O)C 1 3.644 1 2 -5.89966353915237 24747975 CCCCCC(C1=CC=C(C=C1)OCC)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 5.053 1 3 -5.43109133590107 24747974 CC(C)CCC(C1=CC=CC=C1)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 4.516 1 2 -6.20844454173197 24747973 CCOC1=CC=C(C=C1)C(CCC(C)C)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 4.849 1 3 -6.31716211232175 24747972 C1CCN2C(=NC3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)C1 1 2.736 3 2 -13.77359766897 24747971 CN(CCC#N)C(=O)C1=CC2=C(S1)C3=CC=CC=C3SC2 1 3.281 2 1 -6.88071102522249 24747970 CCC1=CC=C(C=C1)C(C)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 3.771 1 2 -2.49763442822462 24747969 CCCCCCC(C1=CC=CC=C1)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 5.177 1 2 -5.59792318605481 24747968 C1CN(CCN1CCNC(=O)C2=CC=CC=C2F)C3=CC=CC=C3.Cl Cl- 1 3.011 3 1 -5.68326286973523 24747967 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 -0.207 4 6 0 -14.3646910870017 24747966 CCCC(C1=CC=C(C=C1)Cl)(C(CN2CCOCC2)C3=CC=C(C=C3)Cl)O.Cl Cl- 1 5.137 1 2 -1.29922642092761 24747965 CC1=C(SC2=NCCN12)C3=CC=CC=C3.Br Br- 1 2.343 2 0 -1.78877719064322 24747964 COC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C4CCCCN4C3=O 1 2.515 3 3 -13.4363883406005 24747963 CCCCC(C1=CC=C(C=C1)CC)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 5.207 1 2 -4.54234893686825 24747962 COC1=C(C=C(C=C1)CNC2=CC=CC3=C2N=C(N3)C(F)(F)F)OC.Cl Cl- 1 4.053 3 2 -2.83469048043066 24747961 C1C2=CC=CC=C2N3C=CC=C3C(N1)C4=CC=C(C=C4)OC(F)(F)F.Cl Cl- 1 5.914 2 1 -4.49232480001402 24747960 COC1=CC(=CC(=C1)CNC2=CC=CC3=C2N=C(N3)C(F)(F)F)OC.Cl Cl- 1 4.053 3 2 -1.38422091440193 24747959 C1=CC=[N+](C=C1)CC(=O)NN=CC2=CC=CC=C2C(F)(F)F.[Cl-] Cl- 1 3.082 3 1 -5.72395344540754 24747958 CC(C)CC[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)N(C)C.[I-] I- 1 5.454 2 0 -2.0791654003583 24747957 CCCC(C1=CC=CC=C1)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 3.808 1 2 -5.18108386501437 24747956 CCOC(=O)N1CCN(CC1)C2=NC3=C(C=C(C=C3)C)N4C2=NN=C4 1 2.016 6 2 0 2.53669569110133 24747955 COC1=C(C(=C2C=C(NC2=C1)C(=O)NCC3=CC=CC=C3)OC)OC.Cl Cl- 1 3.157 2 4 -5.44888184152885 24747954 CC1(CC(=NO1)C2=CC=C(C=C2)C#N)C3=NN=C(O3)C4=CC(=CC=C4)Cl 1 3.676 4 2 -1.32022374617912 24747953 CN(C)CCNC(=O)C1=C(ON=C1CSC2=CC=CC(=C2)OC)C(=O)NCCN(C)C 1 1.593 5 4 0 -3.78250749721564 24747952 CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2N 1 3.824 3 2 -11.6621185946296 24747951 COC1=CC=C(C=C1)N/C(=C/2\CCCC2=O)/C3CCCCC3 1 4.448 1 2 -4.75923405568703 24747950 C1[C@H]2C(=O)N[C@H](C(=O)N2[C@H]3[C@@]1(C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)Br)CC6=CC=CC=C6 1 3.372 3 4 0 -10.8525505677635 24747949 CC(C)[C@H](C(=O)NCC1CCC(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N.Cl Cl- 1 -0.267 3 4 0 -19.613138810441 24747948 CC1(CC(=NO1)C2=CC=C(C=C2)F)C3=NN=C(O3)C4=CC(=CC=C4)Cl 1 4.003 3 2 2.01739242895682 24747947 COCCNC(=O)C1=CC(=NN1CC2CC(=NO2)C3=CN=CC=C3)C4=CC=CC=C4 1 2.102 5 3 0 -10.5819907967422 24747946 CC1=CC=C(C=C1)C2=NOC(C2)(C)C3=C(N=C(S3)C4=CC=C(C=C4)Cl)C 1 5.532 2 1 4.94447021030827 24747945 CCC(C)C1=NC(=C(C(=C1C2=CC=CC=C2)N3CCOC3=O)C)C 1 4.622 2 2 -2.4958740691627 24747944 CC(C)C[C@@H](CO)NC(=O)CC[C@@H](C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)NC(=O)OC(C)(C)C 1 4.215 3 5 0 -23.0192473391913 24747943 CC1=CC=CC(=N1)C(=O)N[C@H]2[C@H](CC3=CC=CC=C23)O 1 1.774 2 2 0 -6.95156141776448 24747942 C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)C4=CC5=C(C=C4)NC=C5 1 4.776 1 2 3.38521765796071 24747941 C1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N2)CC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-] 1 3.744 4 6 0 -8.69445388084864 24747940 COC1=CC2=C3CCCC3=C(N=C2C=C1)C4CCCCC4 1 5.465 1 1 0.685818993983098 24747939 COC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3C#CCO)C4=CC=C(C=C4)OC 1 5.414 0 4 10.1707382966827 24747938 CCC1=C(NC2=C1C=C(C=C2)C#N)C3(CCCCC3)O 1 4.346 2 1 -0.83008397675348 24747937 COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C=C2)OC(=C3C#CC4(CCCCC4)O)C5=CSC=C5 1 6.775 0 5 3.39510220136502 24747936 C1CCC(CC1)(C#CC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3)O 1 4.664 0 3 -1.55756401646536 24747935 COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C=C2)OC(=C3)C4=CSC=C4 1 5.074 0 4 8.52273412691309 24747934 COC1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)C4=CC5=C(C=C4)OCO5)C#CC6(CCCCC6)O 1 6.913 0 5 5.34411478280178 24747933 COC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)C#CC4=CC=C(C=C4)N)OC 1 4.293 1 4 0.573696657524172 24747932 C1COCCN1C2=CC3=C(C=C2)OC(=C3)C4=CSC=C4 1 3.455 1 2 6.56996142989402 24747931 COC1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)C4=CC5=C(C=C4)OCO5)C6=CN=C(C=C6)OC 1 6.103 1 5 5.66144293771967 24747930 COC1=NC=C(C=C1)C2=C(OC3=C2C=C(C=C3)N4CCOCC4)C5=CSC=C5 1 4.345 2 3 4.67443562766892 24747929 C1COCCN1C2=CC3=C(C=C2)OC(=C3C#CC4=CC=C(C=C4)N)C5=CSC=C5 1 4.817 2 2 8.87419427763337 24747928 COC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C#CC4=CC=C(C=C4)N)OC 1 4.293 1 4 -2.8690345830218e-002 24747927 COC1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC 1 5.251 0 7 0 -1.93744134927226 24747926 COC1=CC=C(C=C1)C#CC2=C(OC3=C2C=C(C=C3)C4=CC(=C(C(=C4)OC)OC)OC)C5=CSC=C5 1 7.166 0 5 7.63981849961033 24747925 COC1=CC=C(C=C1)C#CC2=C(OC3=C2C=C(C=C3)C4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)OC 1 7.305 0 5 9.00670549906424 24747924 C1CCC(CC1)(C#CC2=C(OC3=C2C=C(C=C3)N4CCOCC4)C5=CSC=C5)O 1 5.155 1 3 3.6872767468021 24747923 C1CCC(CC1)(C#CC2=CC3=C(C=C2)SC4=CC=CC=C4C3=O)O 1 5.223 0 2 1.63304459257719 24747922 CC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)NCCC4CCCN4C)C 1 4.436 2 2 -1.17181764055705 24747921 C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C4=CC5=C(C=C4)NC=C5 1 4.776 1 2 4.52882774682835 24747920 COC1=C(C=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C#CC4(CCCCC4)O)OC 1 5.19 0 4 -1.07991326754695 24747919 CC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)NCCCN4CCOCC4)C 1 3.634 2 3 -4.1721203611675 24747918 COC1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)N4CCOCC4)C5=CSC=C5 1 4.957 1 3 7.06512625583142 24747917 COC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC 1 6.93 0 4 9.23953843996892 24747916 COC1=CC=C(C=C1)C#CC2=C(OC3=C2C=C(C=C3)N4CCOCC4)C5=CSC=C5 1 5.547 1 3 7.76322019613797 24747915 COC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3C4=CC(=C(C(=C4)OC)OC)OC)C5=CC=C(C=C5)OC 1 6.898 0 6 6.44799997866239 24747914 C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C#CC4=CC=C(C=C4)N 1 4.884 1 1 5.79611399110014 24747913 CC1=C(C=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C#CC4(CCCCC4)O)C 1 6.195 0 2 2.03445148208982 24747912 COC1=NC=C(C=C1)C2=CC3=C(C=C2)SC4=CC=CC=C4C3=O 1 4.413 1 2 2.67343348237821 24747911 C1COCCN1CCCNC2=CC3=C(C=C2)SC4=CC=CC=C4C3=O 1 3.22 2 2 -1.99801789806305 24747910 CC1=CC=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)C4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)OC7CCCCO7 1 7.945 0 5 7.77992788849128 24747909 COC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3C(=O)C4=CC=C(C=C4)OC)C5=CSC=C5 1 6.495 0 4 3.93300637500571 24747908 C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C#CC4=CC=C(C=C4)N 1 4.326 1 2 3.45843654764382 24747907 CC1=CC=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)N4CCOCC4)/C=C/C5=CC=C(C=C5)OC 1 6.249 1 3 10.5320565508438 24747906 COC1=C(C=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C#CC4=CC=CC=N4)OC 1 4.876 1 3 0.405056041336933 24747905 C1=CC=[N+](C=C1)CC(=O)NN/C=C/2\C=C(C=CC2=O)Br.[Cl-] Cl- 1 0.915 3 2 0 -6.98750637081513 24747904 CCOC(=O)C1=CC(=NN1CC2CC(=NO2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 5.044 3 3 -1.39317193415797 24747902 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC(=CC=C5)F)C 1 2.888 2 5 0 -5.2775603704207 24747901 CN1CCC2=CC3=C(C(=C2C1CC(CC4=CC=C(C=C4)OC)O)OC)OCO3.Cl Cl- 1 3.198 1 5 -4.2962115652799 24747900 CSCC[C@@H](C(=O)O)NC(=O)C1CCC(CC1)CNC(=O)[C@@H]2CCCN2.Cl Cl- 1 -2.02 3 4 0 -27.9528797069988 24747899 C[C@@H](C(=O)NCC1CCC(CC1)C(=O)O)NC(=O)[C@@H]2CC3=CC=CC=C3CN2.Cl Cl- 1 -1.15 3 4 0 -17.5569622723961 24747898 CCOC(=O)C(CCSC)NC1=NC(=NC(=N1)NC2=CC=C(C=C2)Cl)Cl 1 3.624 5 2 0 -12.7597912498661 24747897 C1CC2=C(C3=C1ON=C3C4=CC=C(C=C4)Br)N=C(S2)C5=CC=CC=C5F 1 5.853 2 1 6.19253005519141 24747896 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC(=CC=C5)F)C)C=C(C=C3)Br 1 3.637 2 5 0 -3.51642362661609 24747895 COC1=C(C=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C#CC4=CC=C(C=C4)N)OC 1 4.851 1 3 3.083156130976 24747894 COC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3C#CC4(CCCCC4)O)C5=CC=C(C=C5)OC 1 7.129 0 4 7.11364523887137 24747893 CCOC(=O)C1=CC(=NN1CC2CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4 1 4.274 4 5 0 -5.64251081942918 24747891 C[C@]12CCC(=NOCC(=O)NC(CCC(=O)N)C(=O)O)C=C1CCC3C2CC[C@]4(C3CC[C@@]4(C#C)O)C 1 2.728 3 6 0 -24.7814909949099 24747890 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)C(F)(F)F)C 1 3.625 2 5 0 -3.31870100235876 24747889 C1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N2)CC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5 1 3.85 3 4 0 -7.78909719477581 24747888 CCCCNC(=O)C1=C(ON=C1CSC2=CC=CC=N2)C(=O)NCCCC 1 3.378 4 3 0 -12.4246677148034 24747887 CC1(CC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-])C3=NN=C(O3)C4=CC(=CC=C4)Cl 1 3.692 4 4 0 -1.20033244677938 24747886 COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C=C2)OC(=C3C(=O)OC)C4=CSC=C4 1 4.93 0 6 -2.87327043824573 24747885 COC1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)C4=CN=C(C=C4)OC)C5=CC=C(C=C5)OC 1 6.319 1 4 5.79622966374275 24747884 COC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3C4=CC=C(C=C4)OC)C5=CSC=C5 1 6.609 0 3 8.8858349329783 24747883 COC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3C#CCCO)C4=CC=C(C=C4)OC 1 5.736 0 4 10.851443768148 24747882 COC1=CC=C(C=C1)C#CC2=C(OC3=C2C=C(C=C3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC 1 7.521 0 4 10.7762359551338 24747881 COC1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)N4CCOCC4)C#CC5(CCCCC5)O 1 5.477 1 4 5.29293656172449 24747880 CC1=CC=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)C4=CC5=C(C=C4)OCO5)C6=CN=C(C=C6)OC 1 6.606 1 4 8.89028773612424 24747879 CN1CCCC1CCNC2=CC3=C(C=C2)SC4=CC=CC=C4C3=O 1 4.022 2 1 1.00228482254741 24747878 CC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)NCCCN4C=CN=C4)C 1 3.549 3 2 -0.469103172053377 24747877 C1COCCC12CC(=O)C3=C(O2)C=CC4=CC=CC=C43 1 2.093 0 3 -5.69942826109898 24747876 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC(=CC=C5)Cl)C)C=C(C=C3)Br 1 4.096 2 5 0 -1.3044248488953 24747873 CC1(CC(=NO1)C2=CC=C(C=C2)Br)C3=NN=C(O3)C4=CC(=CC=C4)Cl 1 4.546 3 2 1.67085434897695 24747872 CC1(CC(=NO1)C2=CC=C(C=C2)C(=O)OC)C3=NN=C(O3)C4=CC(=CC=C4)Cl 1 3.653 3 4 0 -3.09833766640049 24747871 CC1(CC(=NO1)C2=CC=CC=C2F)C3=NN=C(O3)C4=CC(=CC=C4)Cl 1 4.003 3 2 1.56344622898219 24747870 CC1(CC(=NO1)C2=C(C=CC=C2Cl)Cl)C3=NN=C(O3)C4=CC(=CC=C4)Cl 1 5.126 3 2 -1.2539544059277 24747869 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C3(CC(=NO3)C4=CC=C(C=C4)Cl)C 1 5.711 2 1 4.30644786242452 24747868 COC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC4(CC3)CC(=NO4)C5=CC=C(C=C5)Cl)NC(=O)C6=CC=CC=C6 1 5.473 4 4 0 -9.06018444269418 24747867 CC1=CC=C(C=C1)C2=NOC(C2)(C)C3=NN=C(O3)C4=CC(=CC=C4)Cl 1 4.284 3 2 1.30551540349157 24747866 COCCNC(=O)C1=C(ON=C1CSC2=CC(=C(C=C2)F)F)C(=O)NCCOC 1 1.481 3 5 0 -8.19678668411573 24747865 CC1(CC(=NO1)C2=CC=CC=C2)C3=NN=C(O3)C4=CC(=CC=C4)Cl 1 3.797 3 2 -0.163769878060886 24747864 CC1(CC(=NO1)C2=CC=C(C=C2)Cl)C3=NN=C(O3)C4=CC(=CC=C4)Cl 1 4.462 3 2 1.7234407701368 24747862 C1CCC(CC1)C2=NC3=C(S2)CCC4=C3C(=NO4)C5=CC=C(C=C5)Br 1 6.109 2 1 5.08689772940374 24747861 C1CC2=C(C3=C1ON=C3C4=CC=C(C=C4)Br)N=C(S2)C5=C(C=CC=C5F)F 1 6.058 2 1 4.29468633174339 24747860 C1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N2)CC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)F 1 4.056 3 4 0 -5.88817906802615 24747859 C1=CC=C(C=C1)C\2=CN=C(N/C2=C/3\C=CC(=O)C=C3O)N 1 0.744 3 2 0 -2.48550281758068 24747858 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COC1=CC=C(C=C1)C2=NC3=C(S2)CCC4=C3C(=NO4)C5=CC=C(C=C5)Br 1 5.631 2 2 6.22897968316248 24747845 CSCC[C@@H](C(=O)O)NC(=O)C1CCC(CC1)CNC(=O)[C@H](CC2=CC=CC=C2)N.Cl Cl- 1 -0.782 3 4 0 -24.2191803506668 24747844 CC(C)CCC(CCNCC1=CC=CC=N1)C2=CC3=C(C=C2)OCO3.Cl Cl- 1 4.433 2 2 -3.80133288574835 24747843 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C3(CC(=NO3)C4=CC=CC=C4Br)C 1 5.795 2 1 6.47879498464309 24747842 COC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)NCCCN3CCOCC3)C(=O)NCCCN4CCOCC4 1 1.093 5 6 0 -8.50899909245366 24747841 C1COCCN1CCCNC(=O)C2=C(ON=C2CSC3=CC(=C(C=C3)F)F)C(=O)NCCCN4CCOCC4 1 1.52 5 5 0 -7.57395493362018 24747840 C1COCCN1CCCNC(=O)C2=C(ON=C2CSC3=CC=CC=C3)C(=O)NCCCN4CCOCC4 1 1.109 5 5 0 -8.44266959092011 24747839 CC(C)NC(=O)C1=C(ON=C1CSC2=CC(=C(C=C2)F)F)C(=O)NC(C)C 1 3.195 3 3 -8.21683614322225 24747838 COC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)NCC3CC3)C(=O)NCC4CC4 1 2.956 3 4 0 -6.2814094939282 24747837 CCCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)Cl)C(=O)NCC=C 1 3.485 3 3 -10.7901041734082 24747836 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COC(=O)[C@@H]1C[C@]2([C@@H](N1C(=O)OC)N(C3=CC=CC=C32)OOSC4=CC=CC=C4)C(=O)O 1 3.66 2 8 0 -3.29858937734984 24747785 CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2[C@H]3[C@](C[C@@H]4N3C(=O)[C@@H](NC4=O)CC5=CC=CC=C5)(C6=CC=CC=C62)Br)C(C)C 1 6.954 3 4 0 -3.74167445042284 24747784 COC1=CC(=C2C3=C(CCC3)C(=NC2=C1)C4CCCCC4)OC 1 5.449 1 2 -3.62741918140875 24747783 C1[C@@H]2C(=O)N[C@H](C(=O)N2[C@H]3[C@@]1(C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)Br)CC6=CC=CC=C6 1 3.372 3 4 0 -10.8525505677635 24747782 C1COCCN1C2=NC3=CC=CC=C3C(=C2C4=CC=CC=C4)N5CCOC5=O 1 3.091 3 3 -1.43190416444867 24747781 CCC(C)C1=NC2=C(CCCC2)C(=C1C3=CC=CC=C3)N4CCC4=O 1 4.846 2 1 -2.98738740420185 24747780 CCOC(=O)[C@@H]1[C@H]2COC3=CC=CC=C3[C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)OC)C 1 2.667 2 6 0 -7.25639115020015 24747779 CC(C)C1=NC2=C(S1)CCC3=C2C(=NO3)C4=CC=C(C=C4)OC 1 4.347 2 2 1.96370890653044 24747778 CCOC1=CC=C(C=C1)C2=NC3=C(S2)CCC4=C3C(=NO4)C5=CC=C(C=C5)OC 1 5.215 2 3 4.53917480562538 24747777 COC1=CC=C(C=C1)C2=NOC3=C2C4=C(CC3)SC(=N4)C5=CC=CC=C5Cl 1 5.547 2 2 6.4242477429309 24747776 CC1=CC=CC=C1C2=NC3=C(S2)CCC4=C3C(=NO4)C5=CC=C(C=C5)OC 1 5.369 2 2 6.71805864240473 24747775 CCOC(=O)[C@@H]1[C@H]2COC3=C([C@@H]2N4[C@@]1(C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C)C=C(C=C3)Br 1 4.096 2 5 0 -3.28888877760277 24747774 CC(C)(C)OC(=O)N[C@@H](CC1=CN(C2=CC=CC=C21)C)C(=O)N[C@@H](CC3=CC=CC=C3)CO 1 3.941 3 4 0 -12.1984504452208 24747773 CN1[C@H](C(=O)N2[C@H]3[C@@](CC2C1=O)(C4=CC=CC=C4N3OOSC5=CC=CC=C5)Br)CC6=CC=CC=C6 1 5.23 3 4 0 -1.28541343005938 24747772 C1[C@@H]2C(=O)N[C@H](C(=O)N2[C@@H]3[C@]1(C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)Br)CC6=CC=CC=C6 1 3.372 3 4 0 -10.8525505677635 24747771 C1[C@H]2[C@@H](N3[C@@H]1C(=O)N[C@@H](C3=O)CC4=CC=CC=C4)N(C5=CC=CC=C25)OOSC6=CC=CC=C6 1 4.549 3 4 0 -4.86939687351828 24747770 CCC(C)C1=NC2=C(C(=C1C3=CC=CC=C3)N4CCOC4=O)SC=C2 1 5.144 2 2 -3.87999396581791 24747769 C1[C@H]2C(=O)N[C@H](C(=O)N2[C@H]3[C@@]1(C4=CC=CC=C4N3S(=O)(=O)C5=CC=C(C=C5)F)Br)CC6=CC=CC=C6 1 3.577 3 4 0 -8.95163244101381 24747768 CC(C)(C)OC(=O)N[C@@H](CC1=CN(C2=CC=CC=C21)C)C(=O)N[C@H](CC3=CC=CC=C3)CO 1 3.941 3 4 0 -12.1984504452208 24747767 CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CC3=CC=CC=C3CN2.Cl Cl- 1 1.372 3 2 0 -14.7131638770119 24747766 CCOC1=CC=CC=C1OC\2=CNN/C2=C/3\C=CC(=O)C=C3O 1 0.659 2 4 0 -6.27068774030214 24747764 C[C@H]1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)OCC(CNC(C)C)O)OC.Cl Cl- 1 3.705 1 6 0 -8.92308886231094 24747763 C1COC(=O)N1C2=C(C(=NC3=C2C=CC=C3C4=CC=CC=C4)C5=CC=CS5)C6=CC=CC=C6 1 6.741 2 2 -1.7487805259054 24747762 CCC1=CC(=O)OC2=C1C=CC(=C2CNCC3=C(C=CC=C3Cl)F)O.Cl Cl- 1 4.551 1 3 1.34269151889583 24747761 C1[C@H](NCC2=CC=CC=C21)C(=O)NCCCC3=CC=CC=C3.Cl Cl- 1 2.998 2 1 -9.31614523594732 24747760 CC(CCC1=CC=CC=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2.Cl Cl- 1 3.375 2 1 -6.85526600702853 24747759 CCCCN1/C(=C(/NC2=NOC(=C2)C)\O)/C(=O)C3=CC=CC=C3S1(=O)=O 1 2.045 3 5 0 -9.28691582595398 24747758 CCN1/C(=C(/NC2=NOC(=C2)C)\O)/C(=O)C3=CC=CC=C3S1(=O)=O 1 1.065 3 5 0 -8.96915726157313 24747757 CC(=C)COC1=CC(=O)/C(=C/2\C(=CN=CN2)C3=CC=CC=C3OC)/C=C1 1 2.148 2 3 -9.35885421670874 24747756 COC1=CC=C(C=C1)C\2=CN=CN/C2=C/3\C=CC(=CC3=O)OC 1 1.085 2 3 0 -2.20427853591508 24747755 CC(C)[C@@H](C(=O)NC[C@H](CC(=O)NCC1CCC(CC1)C(=O)O)C2=CC=C(C=C2)Cl)N.Cl Cl- 1 0.279 3 4 0 -18.3348850189847 24747752 C[C@@H]([C@@H](C[C@@H](CC(OC)OC)O)O)OCC1=CC=CC=C1 1 1.246 0 5 0 -5.82226972289813 24747751 C[C@@H]([C@H](/C=C/CC(OC)OC)O)OCC1=CC=CC=C1 1 1.968 0 4 0 -3.88690895901609 24747750 C[C@H]([C@H](/C=C/CC(OC)OC)O)OCC1=CC=CC=C1 1 1.968 0 4 0 -3.88690895901609 24747749 COC(C/C=C\[C@@H](COCC1=CC=CC=C1)O)OC 1 1.591 0 4 0 -6.10289562011538 24747748 CC(=C)COC1=CC(=O)/C(=C/2\C(=CN=CN2)C3=CC=C(C=C3)OC)/C=C1 1 2.148 2 3 -6.16499307025068 24747747 C[C@]12CCC3C(C1CCC2O)CCC4=CC(=NOCC(=O)NC(CCC(=O)O)C(=O)O)CC[C@]34C 1 2.307 2 7 0 -30.4898877912498 24747746 CC1CC2=CC=CC=C2C(=N1)CCC3=CC=CC=C3.Cl Cl- 1 4.437 1 0 -1.92367623559142 24747745 CCC1=[N+](C(=C(C2=CC(=C(C=C21)OC)OC)C(=O)OCC)C)C3=CC=C(C=C3)C.[Cl-] Cl- 1 5.535 1 4 -11.7441960984996 24747744 CN1C2=CC=CC=C2C3=C1C(=NCC3)C4=CC=CC=C4 1 4.36 2 0 1.49026124678388 24747743 C[C@H](C(=O)C[C@H](CC(OC)OC)O)OCC1=CC=CC=C1 1 1.498 0 5 0 -8.48886221493961 24747742 C[C@@H](C(=O)[C@@H]1[C@@H](O1)CC(OC)OC)OCC2=CC=CC=C2 1 1.612 0 5 0 -12.3828393176361 24747741 C[C@H](C(=O)[C@H]1[C@H](O1)CC(OC)OC)OCC2=CC=CC=C2 1 1.612 0 5 0 -12.3828393176361 24747740 CC(=C)COC1=CC(=O)/C(=C/2\C(=CN=C(N2)N)C3=CC(=C(C=C3)OC)OC)/C=C1 1 2 3 4 0 -11.474756256104 24747739 COC1=C(C=C(C=C1)C\2=CNN/C2=C/3\C=CC(=CC3=O)OCC(=O)NN)OC 1 -0.905 4 5 0 -9.57067891811505 24747738 C[C@]12CCC(C1(C)C)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC=CC=N4.Cl Cl- 1 3.097 4 2 -1.82010783849793 24747737 CC(C(C(=O)O)NC(=O)CON=C1CC[C@@]2(C3CC[C@]4(C(C3CCC2=C1)CC[C@@]4(C#C)O)C)C)O 1 3.142 2 6 0 -22.3086466847508 24747736 C=CCNC1=CC(=CC=C1)Br 1 3.003 1 0 -2.61428629162956 24747735 CCOC(=O)C1=NC(=C(S1)C(=O)CN(CC=C)C2=CC(=CC=C2)Br)C 1 4.253 2 3 -10.6390426767128 24747734 C1CCC(CC1)C2=NC(=NC3=C2SC=C3)C4=CC=CC=C4 1 5.37 2 0 3.27467662909757 24747733 CC1=CC2=C(C=C1)N=C(N=C2C3CCCCC3)N(C)OC 1 4.192 3 1 3.32064523646261 24747732 CC1=CC(=CC(=C1)SCC2=NOC(=C2C(=O)NC(C)C)C(=O)NC(C)C)C 1 3.757 3 3 -9.3236448887088 24747731 CC(C)CC(C(=O)O)NC(=O)C(C(C)C)NC(=O)CON=C1CC[C@@]2(C3CC[C@]4(C(C3CCC2=C1)CC[C@@]4(C#C)O)C)C 1 5.272 3 6 0 -34.3667247593607 24747730 CCCCCCCCCC[N+](C)(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Br-] Br- 1 7.835 1 0 2.23371403019559 24747729 CC1(CC(=NO1)C2=CC(=CC=C2)F)C3=NN=C(O3)C4=CC(=CC=C4)Cl 1 4.003 3 2 4.14510392426619 24747728 CN(C)CCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3.Cl Cl- 1 1.416 5 2 0 -6.32337734112059 24747727 CN(C)CCCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3.Cl Cl- 1 1.478 5 2 0 -7.05123236548867 24747726 CCN(CC)CCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3.Cl Cl- 1 2.114 5 2 0 -7.38388266284708 24747725 CCCCCCCCCCC[N+](C)(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Br-] Br- 1 8.291 1 0 2.23371403019559 24747724 C[C@@H]([C@@H](/C=C\CC(OC)OC)O)OCC1=CC=CC=C1 1 1.968 0 4 0 -3.88690895901609 24747723 C[C@H]([C@@H](/C=C\CC(OC)OC)O)OCC1=CC=CC=C1 1 1.968 0 4 0 -3.88690895901609 24747722 C[C@H]([C@H](C[C@H](CC(OC)OC)O)O)OCC1=CC=CC=C1 1 1.246 0 5 0 -5.82226972289813 24747721 C[C@@H]([C@H](C[C@@H](CC(OC)OC)O)O)OCC1=CC=CC=C1 1 1.246 0 5 0 -5.82226972289813 24747720 C[C@@H]([C@H]([C@@H]1[C@H](O1)CC(OC)OC)O)OCC2=CC=CC=C2 1 1.439 0 5 0 -7.88572693788866 24747719 C[C@H]([C@H](/C=C\CC(OC)OC)O)OCC1=CC=CC=C1 1 1.968 0 4 0 -3.88690895901609 24747718 C[C@@H]([C@H](/C=C\CC(OC)OC)O)OCC1=CC=CC=C1 1 1.968 0 4 0 -3.88690895901609 24747717 C[C@H]([C@@H](C[C@@H](CC(OC)OC)O)O)OCC1=CC=CC=C1 1 1.246 0 5 0 -5.82226972289813 24747716 C[C@@H]([C@@H](/C=C/CC(OC)OC)O)OCC1=CC=CC=C1 1 1.968 0 4 0 -3.88690895901609 24747715 CC(C)(C)OC(=O)N1CCC(CC1)(CC=C)C(=O)N(C)CC2=CC=CC=C2 1 3.562 2 3 -8.96328974692255 24747714 CC1(CC(=NO1)C2=CC=CC=C2OC)C3=NN=C(O3)C4=CC(=CC=C4)Cl 1 3.781 3 3 0.151243134242168 24747713 CC12CCN(C1CCC3C2CCC4(C3CCC4O)C)CCO.Cl Cl- 1 2.557 1 2 -7.60019517228192 24747712 C[C@@H](C(=O)/C=C/CC(OC)OC)OCC1=CC=CC=C1 1 2.249 0 4 -6.24206367971034 24747711 C[C@H]([C@@H](/C=C/CC(OC)OC)O)OCC1=CC=CC=C1 1 1.968 0 4 0 -3.88690895901609 24747710 C1=CC=C(C=C1)C2=NC3=C(C=C2)SC=C3 1 3.916 1 0 2.4086755886334 24747709 C[C@H](C(=O)[C@@H]1[C@@H](O1)CC(OC)OC)OCC2=CC=CC=C2 1 1.612 0 5 0 -12.3828393176361 24747708 C1[C@@H]2[C@H](N3[C@@H]1C(=O)N[C@H](C3=O)CC4=CC=CC=C4)N(C5=CC=CC=C25)OOSC6=CC=CC=C6 1 4.549 3 4 0 -4.86939687351828 24747707 CCC1=CC=C(C=C1)NC(=O)[C@H](C)NC(=O)C2CCN(CC2)C(=O)[C@H](CC(C)C)N.Cl Cl- 1 2.077 4 3 0 -17.1582179249616 24747706 CC1=CC=C(C=C1)NC(=O)[C@H](C)NC(=O)C2CCN(CC2)C(=O)[C@H](CC(C)C)N.Cl Cl- 1 1.62 4 3 0 -16.9187797891825 24747705 CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CNCC3=CC=CC=C3F.Cl Cl- 1 4.551 1 3 2.02457469590442 24747704 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NC4=CC(=CC=C4)O.Cl Cl- 1 3.193 3 2 10.3868099483348 24747702 CCC1=NC2=C(C(=N1)NC3=CC=C(C=C3)C(=O)C)OC4=CC=CC=C42.Cl Cl- 1 3.797 3 2 1.33768665261077 24747701 COC1=CC=CC=C1C\2=CNN/C2=C/3\C=CC(=CC3=O)OCC(=O)NN 1 -0.888 4 4 0 -8.43581374537451 24747700 COC1=CC=C(C=C1)C\2=CNN/C2=C/3\C=CC(=O)C=C3O 1 0.524 2 3 0 -0.655682590018655 24747699 C[N+]1=CC=C(C=C1)/C=C/C2=CNC3=C2C=C(C=C3)OC.[I-] I- 1 3.697 2 1 7.44711029989967 24747698 C[N+]1(CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O)C.[I-] I- 1 0.282 1 3 0 -2.12913704965306 24747697 C[C@]12CCC(=NOCC(=O)NCC(C)(C)C(C(=O)O)O)C=C1CCC3C2C(C[C@]4(C3CC[C@@]4(C(=O)CO)O)C)O 1 0.441 2 9 0 -16.0603294642729 24747696 CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CNCC3=C(C=C(C=C3)OC)OC.Cl Cl- 1 4.313 1 5 2.15005898454535 24747695 CC1=NC2=C(C(=N1)NC3=CC(=C(C=C3)OC)Cl)OC4=CC=CC=C42.Cl Cl- 1 4.038 3 2 5.64868289685579 24747694 CC1=CC(=C(C=C1)OC)NC2=NC(=NC3=C2OC4=CC=CC=C43)C.Cl Cl- 1 3.86 3 2 4.38784197257217 24747692 C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)O.O H2O 1 -0.514 0 9 0 -15.3544845960855 24747690 C1COCCN1CC(=O)C2=CC=C(C=C2)Br.Cl Cl- 1 2.012 1 2 -4.67275223515492 24747689 COC1=CC=C(C=C1)C\2=CNN/C2=C/3\C=CC(=CC3=O)OC 1 0.75 2 3 0 -1.41704538217879 24747688 CCCCCCCCC1=C2C(=C3C=CC=CC3=N2)CCN1.Cl Cl- 1 4.233 2 0 -8.69604974578222 24747687 COC1=CC=CC=C1C\2=CNN/C2=C/3\C=CC(=O)C=C3O 1 0.524 2 3 0 -3.84954373647671 24747686 C[N+]1([C@@H]2CC(C[C@H]1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3)CC#C.[Br-] Br- 1 0.467 1 4 0 -9.65332244766247 24747685 CCCCN(CCCC)C(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)CC.Cl Cl- 1 4.272 4 2 -2.28892631928622 24747684 CC(C(=O)NC(CCSC)C(=O)O)NC(=O)CON=C1CC[C@@]2(C3CC[C@]4(C(C3CCC2=C1)CC[C@]4(C#C)O)C)C 1 3.524 3 6 0 -32.6877282818713 24747683 CC1=NC2=C(C(=N1)NC3=CC(=CC=C3)Cl)OC4=CC=CC=C42.Cl Cl- 1 4.055 3 1 9.13497278445273 24747682 CCC1=NC2=C(C(=N1)NC3=CC=C(C=C3)NC(=O)C)OC4=CC=CC=C42.Cl Cl- 1 3.178 4 2 1.3839984960584 24747681 CCC1=NC2=C(C(=N1)NC3=CC(=CC=C3)F)OC4=CC=CC=C42.Cl Cl- 1 4.263 3 1 8.45739817856569 24747680 CCC1=NC2=C(C(=N1)NC3=CC(=CC=C3)OC)OC4=CC=CC=C42.Cl Cl- 1 4.041 3 2 6.61013169847877 24747678 COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC.Cl Cl- 1 3.599 1 4 -7.70678218891698 24747677 C[C@]12CCC(C[C@@H]1CCC3C2CC[C@]4(C3CCC4=NN)C)O 1 3.151 2 1 -10.0922867340287 24747675 CN1C(=C(C(=O)N(C1=O)C)CC2=CC=C(C=C2)OCC3=CC=CC=C3)[O-].[NH4+] NH4+ 1 2.638 2 4 -9.77387834378864 24747674 CC1=NC2=C(C(=N1)NC3=C(C=CC(=C3)Cl)OC)OC4=CC=CC=C42.Cl Cl- 1 4.038 3 2 6.59118585914225 24747673 CC1=NC2=C(C(=N1)NC3=CC=CC=C3OC)OC4=CC=CC=C42.Cl Cl- 1 3.374 3 2 3.8646533622816 24747672 CC1=CC(=CC=C1)NC2=NC(=NC3=C2OC4=CC=CC=C43)C.Cl Cl- 1 3.877 3 1 8.08545248674262 24747671 CCCC1=CC(=O)OC2=C1C=CC(=C2CNC3=CC=C(C=C3)OCC)O.Cl Cl- 1 4.741 1 4 0.705717286917466 24747670 CC(C)[C@@H](C1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)Cl)N.Cl Cl- 1 3.085 5 0 -5.11757389734079 24747669 COC1=CC=C(C=C1)OC\2=CNN/C2=C/3\C=CC(=CC3=O)OC 1 0.536 2 4 0 -4.04763090303373 24747668 CN1C(=C(C(=O)N(C1=O)C)CC2=C(C(=CC=C2)Cl)Cl)[O-].[NH4+] NH4+ 1 2.399 2 3 -7.21555448784828 24747667 C[C@]12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5=CC(CC[C@]35C=NO)O 1 2.496 1 5 -3.4863363933988 24747666 CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=NC=C3.Cl Cl- 1 1.125 9 2 0 -24.5103171377464 24747665 CCC1=NC2=C(C(=N1)NC3=CC=C(C=C3)O)OC4=CC=CC=C42.Cl Cl- 1 3.815 3 2 8.25091959906658 24747664 CCC1=NC2=C(C(=N1)NC3=CC=CC=C3F)OC4=CC=CC=C42.Cl Cl- 1 4.263 3 1 5.4519496729826 24747663 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NCCCO.Cl Cl- 1 0.931 4 3 0 -2.52951959231414 24747662 C[N+]1=CC=C(C=C1)/C=C/C2=CNC3=C2C=CC(=C3)OC.[I-] I- 1 3.697 2 1 7.63699277298167 24747661 COC1=CC=CC=C1OC\2=CNN/C2=C/3\C=CC(=O)C=C3O 1 0.31 2 4 0 -5.05576330612368 24747660 C[C@]12CCC3C(C1CCC2O)CCC4=CC(=NOCC(=O)NC(CCC(=O)N)C(=O)O)CC[C@]34C 1 1.679 3 6 0 -29.1760003478058 24747659 CC1=CNC2=C1C(=CC=C2)OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3.Cl Cl- 1 4.66 2 3 -5.9724660622294 24747658 C[C@]12CCC3C(=CC(=O)[C@H]4[C@@]3(C[C@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@H](CCC(C)(C)O)OC(=O)C5=CC=CC=C5)O)O 1 3.181 0 8 0 -7.50035308083502 24747657 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NCCO.Cl Cl- 1 0.869 4 3 0 -3.47761127656472 24747656 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NCCN(C)C.Cl Cl- 1 1.547 5 2 0 -1.16511268667524 24747654 CC1=CCC[C@]2([C@H](O2)C(C([C@H](C1)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C(C)C)O)C 1 4.154 0 7 0 -9.05655789768765 24747653 CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC=C(C=C3)Cl)C.[Cl-] Cl- 1 8.185 2 3 -3.03942611093946 24747652 COC1=CC=C(C=C1)NC(C2=CC=CC=C2)C3=CC=NC=C3.Cl Cl- 1 3.667 2 1 -4.28749628470775 24747651 CC1=CC(=C(C=C1/C(=C/2\C=C(C(=O)C=C2C)C(C)C)/C3=CC=CC=C3C(=O)O)C(C)C)OP(=O)([O-])[O-].[Na+] Na+ 1 4.474 0 7 0 3.70459966139589 24747650 CCC1=NN=C2N1N=C(CS2)C3=CC=CC=C3.Br Br- 1 2.722 4 0 -6.20050111217723 24747649 COC1=CC=CC(=C1)OC\2=CNN/C2=C/3\C=CC(=CC3=O)OCC(=O)NN 1 -1.102 4 5 0 -8.01062788422974 24747648 CC1=NN=C2N1N=C(CS2)C3=CC=CC=C3.Br Br- 1 2.055 4 0 -4.88662939440618 24747647 C1C(=NN2C(=NN=C2S1)C(F)(F)F)C3=CC=CC=C3.Br Br- 1 3.144 4 0 -3.21220784543594 24747646 C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC#C.[Br-] Br- 1 1.558 1 3 0 -10.2774528595555 24747645 C[C@]12CCC3C(C1CCC2=NNC(=S)N)CC=C4[C@@]3(CCC(C4)O)C 1 3.548 3 1 -14.7925554976725 24747643 CCN1CCN(CC1)CC2COC3=CC=CC=C3O2.Cl Cl- 1 2.089 2 2 1.10380040474902 24747642 C1COCCN1CC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br.Cl Cl- 1 3.755 1 2 -5.67520314565278 24747640 CC(CCC1=CC(=C(C=C1OC)OC)OC)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 6.118 1 3 -7.45915664811392 24747639 C[C@]12CCC(C[C@@H]1CCC3C2CC[C@]4(C3CCC4=NO)C)O 1 3.655 1 2 -8.16390071791187 24747638 CC1=N/C(=C/2\C=CC(=CC2=O)OC)/C(=C(N1)C(F)(F)F)C3=CC=C(C=C3)OC 1 2.336 2 3 -1.81129960023387 24747637 COC1=CC=C(C=C1)N2/C(=C/C=C\3/C=CC(=O)C(=C3)O)/NC4=CC=CC=C4C2=O 1 3.431 2 4 -3.45426503120689 24747636 COC(=O)CC(C(=O)OC)NC(=S)N1C[C@@H]2CC(C1)C3=CC=CC(=O)N3C2 1 0.87 3 5 0 -19.9974757087268 24747634 CCN1C[C@@]2(CCC(C34[C@@H]2CC([C@@H]31)[C@]5(C[C@@H]([C@H]6CC4[C@@]5(C6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C.Br Br- 1 2.9e-002 2 8 0 -12.0690439936579 24747633 CC(=O)[C@]1(CCC2[C@@]1(CCC3C2CCC4=CC(=NOCC(=O)O)CC[C@]34C)C)OC(=O)C 1 3.091 1 6 0 -15.9006743447687 24747632 C1CN(CCC1C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)[C@H](CC2=CC=CC=C2)N.Cl Cl- 1 -2.473 3 6 0 -18.461170320972 24747631 CCC1=CC=C(C=C1)NC(=O)[C@H](C)NC(=O)C2CCN(CC2)C(=O)[C@H](C(C)C)N.Cl Cl- 1 1.688 4 3 0 -15.4759793381269 24747630 CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CNCC3=C(C=C(C=C3)OC)OC)C.Cl Cl- 1 4.303 1 5 2.58931778122818 24747629 CCC1=NC2=C(C(=N1)NC3=C(C=C(C=C3)OC)OC)OC4=CC=CC=C42.Cl Cl- 1 4.024 3 3 3.27639178785619 24747628 C1CN(CCN1CCC2=CC=CC=N2)C(=O)C3=CC=C(C=C3)Cl.Cl Cl- 1 2.761 3 1 -2.65342056046159 24747627 C1COCCN1CC(C2=CC=CC=C2)C(C3=CC=C(C=C3)Cl)O.Cl Cl- 1 3.288 1 2 -1.78359128156758 24747626 C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C.[I-] I- 1 2.489 1 2 -9.21172659008967 24747625 C1CCCC(CC1)N2C(=CC(=O)NC2=O)[O-].[NH4+] NH4+ 1 1.244 2 3 0 -9.28933917818134 24747624 C1CNCC(C2=CC=CC=C21)(C3=CC=CC=C3)O.Cl Cl- 1 2.371 1 1 -4.52020395640663 24747623 CC1=CC=CC=C1CN2[C@H](COCCS2(=O)=O)CC3=CC=CC=C3 1 3.061 1 3 -3.46653078402803 24747622 C1CS(=O)(=O)N([C@H](CO1)CC2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.469 2 5 0 -5.32546644079741 24747621 C1CS(=O)(=O)N([C@H](CO1)CC2=CC=CC=C2)CC3=CC=CC=C3 1 2.575 1 3 -2.95234587699945 24747620 CC(C)C[C@H]1COCCS(=O)(=O)N1CC2=CC(=C(C=C2)Cl)Cl 1 3.579 1 3 -4.76845231959118 24747619 C[C@H]1C(=O)N([C@H](/C=C\CN1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC)CC4=CC=C(C=C4)F 1 4.665 2 3 -9.16912428059877 24747618 C[C@H]1C(=O)N([C@H](/C=C\CN1C(=O)C2CC2)C3=CC=C(C=C3)OC)CC4=CC=C(C=C4)F 1 3.758 2 3 -10.56460952412 24747617 CC(C)C[C@H]1COCCS(=O)(=O)N1CC2=CC(=CC=C2)Cl 1 2.915 1 3 -4.33055605897113 24747616 C[C@H]1C(=O)N([C@H](/C=C\CN1CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)OC)CC4=CC=C(C=C4)F 1 5.486 3 2 -6.76746050646565 24747615 CC1=C/C(=C\2/C(=CNN2)C(=O)C3=CC=C(C=C3)OC)/C(=O)C=C1 1 1.394 2 3 0 -6.65268226016411 24747614 CC1=CC=CC(=C1)C(=O)C\2=CNN/C2=C/3\C=C(C=CC3=O)OC 1 1.138 2 3 0 -4.90788061857628 24747613 CC1=CC=C(C=C1)CN2[C@H](COCCS2(=O)=O)CC(C)C 1 2.736 1 3 -6.32817725320762 24747612 C1CS(=O)(=O)N([C@H](CO1)CC2=CC=CC=C2)CC3=CC=C(C=C3)F 1 2.78 1 3 -1.13262248470636 24747611 C1CS(=O)(=O)N([C@H](CO1)CC2=CC=CC=C2)CC3=CC(=CC=C3)C(F)(F)F 1 3.517 1 3 1.15966899372724 24747610 C1CN(C(=O)[C@H]2[C@@H]1C=CC[C@H]2C(=O)NCCC3=CC=CC=C3)CC4=CC=CC=C4 1 3.352 2 2 -8.47866136068015 24747609 CC(C)(C)C1=CC=C(C=C1)C(=O)C\2=CNN/C2=C/3\C=CC=CC3=O 1 2.364 2 2 -3.44220414253472 24747608 CC1=C/C(=C\2/C(=CNN2)C(=O)C3=CC=C(C=C3)Br)/C(=O)C=C1 1 2.159 2 2 -5.87437710553459 24747607 CCCCC(=O)N1C/C=C\[C@@H](N(C(=O)[C@@H]1C)CC2=CC=C(C=C2)F)C3=CC=C(C=C3)OC 1 4.58 2 3 -12.6424821875155 24747606 C[C@H]1C(=O)N([C@H](/C=C\CN1C(=O)CC(C)(C)C)C2=CC=C(C=C2)OC)CC3=CC=C(C=C3)F 1 4.581 2 3 -10.8099211525586 24747605 CCC1=NC2=C(C(=N1)NC3=C(C=CC(=C3)OC)OC)OC4=CC=CC=C42.Cl Cl- 1 4.024 3 3 4.59135380676681 24747599 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=CC(=C3)Br.[Br-] Br- 1 4.957 1 1 2.9085184119097 24747598 CN1CCN(CC1)CCCCOC2=CC=CC3=CC=CC=C32.Cl Cl- 1 3.46 2 1 5.3636799221642 24747597 CCCCN1CC[C@H]2C=CC[C@H]([C@H]2C1=O)C(=O)NCCC3=CC=CC=C3 1 3.098 2 2 -10.6011558870555 24747596 C1CN(C(=O)[C@H]2[C@@H]1C=CC[C@H]2C(=O)NC3=CC=CC=C3)CC4=CC=CC=C4 1 3.024 2 2 -3.48725257174478 24747595 CCCCN1CC[C@H]2C=CC[C@H]([C@H]2C1=O)C(=O)NC3=NC=CS3 1 1.767 3 2 0 -8.04013199797937 24747594 C1CN(C(=O)[C@H]2[C@@H]1C=CC[C@H]2C(=O)NCC3=CN=CC=C3)CC4=CC(=C(C=C4)Cl)Cl 1 3.21 3 2 -7.26191128016679 24747593 COC1=CC=C(C=C1)CNC(=O)[C@@H]2CC=C[C@H]3[C@@H]2C(=O)N(CC3)C4CCCCC4 1 3.29 2 3 -8.50807507225124 24747592 CN1CCN(CC1)CCCCCCOC2=C(C=CC=C2OC)OC.Cl Cl- 1 3.431 2 3 3.21642095803302 24747590 CC(C)CC1=CC=C(C=C1)C(C)C(=NCCC2=CC=CC=C2)N.Cl Cl- 1 5.145 2 0 2.45193434665801 24747589 CN1CCN(CC1)CC(=O)NC2=NC3=CC=CC=C3S2.C(=O)O COOH 1 1.539 4 1 0 -0.25676706626319 24747587 COC1=CC=C(C=C1)CCNCCN2CCOCC2.Cl Cl- 1 1.498 2 2 0 0.107542108883901 24747586 C1CCN(CC1)CCN2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O 1 3.19 2 1 6.25550565183201 24747584 C[N+]1=CC=CC=C1/C=C/C2=C(C=C(C=C2)OC)O.[I-] I- 1 3.453 1 2 5.11955630503894 24747583 CN(C)CCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C32)OC)OC)OC)OC.Cl Cl- 1 3.975 1 4 -0.961025586631134 24747581 CC(=O)C[C@H]1C2=C(C=C(C=C2)/C=C/C(=O)C)S(=O)(=O)N1CC3=CC=C(C=C3)OC 1 2.324 1 5 -3.59155728700884 24747577 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C4=C(N3)C=CC(=C4)OC)N=N2 1 2.508 6 3 0 -17.1983703717213 24747576 CC(=O)C[C@H]1C2=C(C=CC(=C2)C(F)(F)F)S(=O)(=O)N1CC3=CC=C(C=C3)OC 1 3.068 1 4 -0.464387177943595 24747575 CC(=O)C[C@H]1C2=C(C=CC(=C2)C(F)(F)F)S(=O)(=O)N1C3=CC(=CC=C3)OC 1 3.061 1 4 -1.28066610816681 24747574 CC(=O)C[C@H]1C2=C(C=CC(=C2)C(F)(F)F)S(=O)(=O)N1C3=CC=CC=C3 1 3.078 1 3 -1.49931665491861 24747573 CC(=O)C[C@H]1C2=C(C=CC(=C2)C(F)(F)F)S(=O)(=O)N1C3CCCC3 1 2.903 1 3 -1.46647082752975 24747572 CC(=O)C[C@H]1C2=CC=CC=C2S(=O)(=O)N1C3=CC=CC=C3 1 2.135 1 3 -7.330338501878 24747571 CC(=O)C[C@H]1C2=CC=CC=C2S(=O)(=O)N1C3CCCC3 1 1.961 1 3 0 -7.12907967747673 24747570 CCOC(=O)C[C@H]1C2=C(C=CC(=C2)F)S(=O)(=O)N1CC3=CC=C(C=C3)OC 1 2.805 1 5 -5.96634032167729 24747569 CCCCCCCCN1[C@H](C2=C(S1(=O)=O)C=C(C=C2)C(F)(F)F)CC(=O)O 1 4.554 1 4 -4.72367138366566 24747568 COC1=CC=C(C=C1)CN2[C@H](C3=C(S2(=O)=O)C=C(C=C3)C(F)(F)F)CC(=O)O 1 2.968 1 5 -2.6154816641898 24747567 C1=CC=C(C=C1)CN2[C@H](C3=C(S2(=O)=O)C=C(C=C3)C(F)(F)F)CC(=O)O 1 2.984 1 4 -3.01733035982526 24747566 CCCCCCCCN1[C@H](C2=C(S1(=O)=O)C=CC(=C2)F)CC(=O)OC 1 4.043 1 4 -8.48990703061297 24747565 COC(=O)C[C@H]1C2=C(C=CC(=C2)F)S(=O)(=O)N1C3=CC=CC=C3 1 2.466 1 4 -7.41664678811212 24747564 C1=CC=C(C=C1)CN2[C@H](C3=C(S2(=O)=O)C=CC(=C3)F)CC(=O)O 1 2.247 1 4 -4.88303730410953 24747563 C1CCC(CC1)N2[C@H](C3=C(S2(=O)=O)C=CC(=C3)F)CC(=O)O 1 2.522 1 4 -5.83774077222831 24747562 CCCCCCCCN1[C@H](C2=C(S1(=O)=O)C=CC(=C2)C(F)(F)F)CC(=O)O 1 4.554 1 4 -3.42745572119617 24747561 COC1=CC=C(C=C1)CN2[C@H](C3=C(S2(=O)=O)C=CC(=C3)C(F)(F)F)CC(=O)O 1 2.968 1 5 -1.31926600172031 24747560 C1=CC=C(C=C1)CN2[C@H](C3=C(S2(=O)=O)C=CC(=C3)C(F)(F)F)CC(=O)O 1 2.984 1 4 -1.72111469735576 24747559 COC1=CC=CC(=C1)N2[C@H](C3=C(S2(=O)=O)C=CC(=C3)C(F)(F)F)CC(=O)O 1 2.961 1 5 -2.13554493194352 24747558 C1CCC(C1)N2[C@H](C3=C(S2(=O)=O)C=CC(=C3)C(F)(F)F)CC(=O)O 1 2.803 1 4 -2.32134965130646 24747557 CC(C)(C)N1[C@H](C2=C(S1(=O)=O)C=CC(=C2)C(F)(F)F)CC(=O)O 1 2.332 1 4 -4.08692093130118 24747556 CCOC(=O)C[C@H]1C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)N1CC3=CC=CC=C3 1 3.559 1 4 -4.57352502166353 24747555 CCOC(=O)C[C@H]1C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)N1C3=CC(=CC=C3)OC 1 3.535 1 5 -4.91691230761624 24747554 CCOC(=O)C[C@H]1C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)N1C3CCCC3 1 3.377 1 4 -5.17375997561422 24747553 CCOC(=O)C[C@H]1C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)N1C(C)(C)C 1 2.906 1 4 -6.93933125560895 24747552 CCOC(=O)C[C@H]1C2=C(C=CC(=C2)C(F)(F)F)S(=O)(=O)N1C(C)C 1 2.701 1 4 -5.14919910352824 24747551 CC1(C(N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C 1 2.733 2 5 0 -9.91120059149581 24747550 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r-] Br- 1 2.694 1 2 8.46262996738306 24747218 CC(C)(CO)NC(=O)C1=CC(=C(C=C1F)OC)OC 1 1.253 1 4 0 -7.57962738946798 24747217 CC(=O)N1CCC(CC1)(C2=CC(=C(C=C2)OC)O)C3=C(C(=CC=C3)O)OC 1 2.502 1 5 2.85971292526818 24747216 C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=C(C=C3)C(=O)O)Cl 1 3.439 2 3 5.46652135357408 24747215 CC1(C2=C(C[C@@H]3N1C(=O)N(C3=O)CC4=CC(=CC=C4)OC)C5=CC=CC=C5N2)C 1 3.779 3 3 -3.76823764197544 24747214 C1=CC(=CC=C1C2=NOC(=N2)C3=CC=C(C=C3)F)C(=O)O 1 2.98 2 3 4.7482340220879 24747213 CC1=CC=C(C=C1)CN2C(=O)[C@H]3CC4=C(C(N3C2=O)(C)C)NC5=CC=CC=C45 1 4.282 3 2 -3.12399265582121 24747212 C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCOCC4 1 1.654 6 1 0 -1.83768813634359 24747211 CC(C)C1=CN(C(=O)NC1=O)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 1 4.834 2 9 0 -21.9712716835022 24747210 CC1(C2=C(C[C@H]3N1C(=O)N(C3=O)C4=C(C=C(C=C4)F)F)C5=CC=CC=C5N2)C 1 4.2 3 2 -1.95000438661255 24747209 CC1=CC=CC=C1CN2C(=O)[C@H]3CC4=C(C(N3C2=O)(C)C)NC5=CC=CC=C45 1 4.282 3 2 -4.91348838513853 24747208 COC1=CC=CC(=C1OC)C2=C([C@H]3CC[C@@H](C2)N3C(=O)NCC4CC4)C(=O)OC 1 2.783 2 5 0 -11.0844878791009 24747207 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCC3=CC=CO3)C4=CC5=CC=CC=C5O4 1 3.356 2 5 0 -7.24952752945927 24747206 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCC3=CC=C(C=C3)C(F)(F)F)C4=CC5=CC=CC=C5O4 1 5.116 2 4 -1.40287974105966 24747205 CC(=O)NCCNC(=O)N1[C@H]2CC[C@@H]1C(=C(C2)C3=CC4=CC=CC=C4O3)C(=O)OC 1 1.783 3 5 0 -8.80344828281951 24747204 COC1=CC=CC(=C1OC)C2=C([C@H]3CC[C@@H](C2)N3C(=O)N4CCCCC4)C(=O)OC 1 3.086 2 5 0 -8.77972662969681 24747203 CC1(CC(=CC(=O)C1)C2=CC3=C(C=C2)NC=C3)C 1 3.521 1 1 -5.87462503717994 24747202 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NC3CC3)C4=CC=CC=C4 1 2.485 2 3 -11.5282131058095 24747201 CC(C)NC(=O)N1[C@H]2CC[C@@H]1C(=C(C2)C3=CC4=CC=CC=C4S3)C(=O)OC 1 3.875 2 3 -11.3313131139091 24747200 COC1=CC=CC(=C1OC)C2=C([C@H]3CC[C@@H](C2)N3C(=O)NC4CC4)C(=O)OC 1 2.452 2 5 0 -12.0659009092606 24747199 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)N3CCOCC3)C4=CC5=CC=CC=C5O4 1 2.484 2 5 0 -5.4032752255697 24747198 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCC3CC3)C4=CC=C(C=C4)S(=O)(=O)C 1 2.342 2 5 0 -16.8622496159496 24747197 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCC3=CC=C(C=C3)F)C4=CC5=CC=CC=C5O4 1 4.379 2 4 -4.2867696029267 24747196 CC1(C2=C(C[C@H]3N1C(=O)N(C3=O)CC4=CC=C(C=C4)F)C5=CC=CC=C5N2)C 1 4.001 3 2 -2.41211563035596 24747195 CC1(C2=C(C[C@H]3N1C(=O)N(C3=O)CC4=CC=CO4)C5=CC=CC=C5N2)C 1 2.977 3 3 -5.97056181944544 24747194 CC1(C2=C(C[C@H]3N1C(=O)N(C3=O)C4=C(C=CC(=C4)F)F)C5=CC=CC=C5N2)C 1 4.2 3 2 -1.49492098777375 24747193 CC1(C2=C(C[C@@H]3N1C(=O)N(C3=O)CC4=CC=CC=C4OC)C5=CC=CC=C5N2)C 1 3.779 3 3 -6.52524075796082 24747192 C1=CC=C2C(=C1)C=CC=C2CC3=C(C(=NN3)N)C#N 1 2.698 4 0 -0.947407820207868 24747191 CN1C(=C(C(=N1)CC2=CC=CC3=CC=CC=C32)C#N)N 1 2.626 4 0 -0.962435125224018 24747190 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)N3CCCC3)C4=CC5=CC=CC=C5S4 1 3.815 2 3 -5.39434550660836 24747189 CC1=CC=C(C=C1)CN2C(=O)[C@@H]3CC4=C(C(N3C2=O)(C)C)NC5=CC=CC=C45 1 4.282 3 2 -3.12399265582121 24747188 CC1=CC=CC=C1CN2C(=O)[C@@H]3CC4=C(C(N3C2=O)(C)C)NC5=CC=CC=C45 1 4.282 3 2 -4.91348838513853 24747187 COC1=CC=CC(=C1OC)C2=C([C@H]3CC[C@@H](C2)N3C(=O)N4CCCC4)C(=O)OC 1 2.629 2 5 0 -8.42525811552873 24747186 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NC3CC3)C4=CC=C(C=C4)S(=O)(=O)C 1 2.011 2 5 0 -17.8436626461094 24747185 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCC3=CC=CC=C3)C4=CC5=CC=CC=C5O4 1 4.174 2 4 -5.98187453018395 24747184 CC(C)NC(=O)N1[C@H]2CC[C@@H]1C(=C(C2)C3=CC=CC=C3)C(=O)OC 1 2.722 2 3 -13.8245379193783 24747183 CC1(C2=C(C[C@@H]3N1C(=O)N(C3=O)CC4=CC=CC=C4F)C5=CC=CC=C5N2)C 1 4.001 3 2 -4.97639574771663 24747182 COC1=CC=CC=C1NC2=NC(=NC(=N2)N3CCOCC3)N4CCCC4 1 1.638 6 2 0 -3.71619093687448 24747181 CCCOC1=C(C=C(C=C1)Cl)NC2=NC(=NC(=N2)N3CCCC3)NCCO 1 2.742 6 2 0 2.31929072728218 24747180 CC1(C2=C(C[C@@H]3N1C(=O)N(C3=O)CC4=CC=C(C=C4)F)C5=CC=CC=C5N2)C 1 4.001 3 2 -2.41211563035596 24747179 CC1(C2=C(C[C@H]3N1C(=O)N(C3=O)CC4=CC=CC=C4)C5=CC=CC=C5N2)C 1 3.796 3 2 -4.10722055761321 24747178 COC1=CC=CC=C1NC2=NC(=NC(=N2)N3CCCC3)NCCCCO 1 1.847 6 2 0 -2.19807263551972 24747177 CCCCOC1=C(C=C(C=C1)Cl)NC2=NC(=NC(=N2)N3CCCC3)NCCO 1 3.198 6 2 0 1.12770088935085 24747176 CC1(C2=C(C[C@H]3N1C(=O)N(C3=O)CC4=CC=CC=C4Cl)C5=CC=CC=C5N2)C 1 4.46 3 2 -3.92262321274826 24747175 C1CCN(C1)C2=NC(=NC(=N2)NCCO)NC3=CC=CC=C3C(F)(F)F 1 2.163 6 1 0 0.936716295303958 24747174 CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)Cl 1 4.023 6 1 0 -2.78997878770936 24747173 CCOC1=CC=CC=C1NC2=NC(=NC(=N2)N3CCOCC3)N4CCCC4 1 1.987 6 2 0 -4.50944168575447 24747172 CC1(C2=C(C[C@H]3N1C(=O)N(C3=O)CC4=CC=CC=C4F)C5=CC=CC=C5N2)C 1 4.001 3 2 -4.97639574771663 24747171 CC(=O)NCCNC(=O)N1[C@H]2CC[C@@H]1C(=C(C2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC 1 0.714 3 6 0 -19.5259578735709 24747170 CCCNC(=O)N1[C@H]2CC[C@@H]1C(=C(C2)C3=CC4=CC=CC=C4S3)C(=O)OC 1 4.021 2 3 -10.4153703350342 24747169 CC1(C2=C(C[C@H]3N1C(=O)N(C3=O)CC4=CC(=CC=C4)OC)C5=CC=CC=C5N2)C 1 3.779 3 3 -3.76823764197544 24747168 COC1=CC=CC(=C1)C2=CC(=O)CC(C2)C3=CC=CO3 1 3.221 0 3 -4.75533539992711 24747167 CC1(CC(=CC(=O)C1)C2=CC=CS2)C 1 3.181 0 1 -10.0940907597067 24747166 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCC3=CC=C(C=C3)F)C4=CC5=CC=CC=C5S4 1 4.938 2 3 -6.20060484790903 24747165 CC1(CC(=CC(=O)C1)C2=NC(=CC=C2)OC)C 1 3.028 1 2 -10.1346933195758 24747164 CCCNC(=O)N1[C@H]2CC[C@@H]1C(=C(C2)C3=CC=CC=C3)C(=O)OC 1 2.868 2 3 -12.9085951405034 24747163 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NC3CCCCC3)C4=CC5=CC=CC=C5O4 1 4.449 2 4 -6.96201538935886 24747162 COC1=C(C=C(C(=C1)/C=C/2\C(=O)OC(=N2)C3=CC=CC=C3)F)OCC4=CC=CC=C4 1 5.069 1 4 -10.5774052890443 24747161 CN1C(=O)C2=C(N=C(N2)CCCC(=O)O)N(C1=S)CC3=CC=CC=C3 1 3.359 4 3 0 -10.4880732678322 24747160 CN1C(=O)C(=C(N(C1=S)CC2=CC=CC=C2)N)N=O 1 2.138 4 2 -2.86227948487046 24747159 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O 1 1.672 4 4 0 -0.316390850350627 24747158 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCC3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)S(=O)(=O)C 1 4.013 2 5 0 -13.6188379304848 24747157 COCCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 1.747 2 5 0 -2.65087191211677 24747156 C1CCN(C1)C2=NC(=NC(=N2)NCCO)NC3=CC=CC=C3C(=O)N 1 0.223 7 2 0 -1.84803134737592 24747155 CCN1C(=C(C(=N1)CC2=CC=CC3=CC=CC=C32)C#N)N 1 2.975 4 0 -2.24160427533998 24747154 CC(C)N1C(=C(C(=N1)CC2=CC=CC3=CC=CC=C32)C#N)N 1 3.353 4 0 -1.8452047800944 24747153 C1=CC=C2C(=C1)C=CC=C2CC3=NN(C(=C3C#N)N)CCO 1 2.087 4 1 -1.51761281415678 24747152 COC1=C(C=CC=C1O)[C@H](C2CCN(CC2)CCC3=CC=C(C=C3)F)O 1 3.794 1 3 7.66727866947631 24747151 C1=CC=C2C(=C1)C=CC=C2CC3=NN(C(=C3C#N)N)CCC#N 1 2.605 5 0 -2.99797784323542 24747150 CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C3CCC2([C@]1(C)O)C)C 1 3.546 0 4 -19.6743201399971 24747149 CC1=NC2=C(C(=NN2C(C)(C)C)CC3=CC=CC4=CC=CC=C43)C(=N1)N 1 3.669 5 0 0.387621724257207 24747148 CCOC(=O)C(CC1=CC(=CC(=C1)OC)OC)(CC2=CC(=CC(=C2)OC)OC)C#N 1 4.22 1 6 0 -6.69101196882736 24747147 C[C@@]12CCN(OC1N(C3=C2C=C(C=C3)O)C)C 1 1.789 2 2 0 0.853274333857664 24747146 CS(=O)(=O)N1[C@@H]2[C@@](C[C@@H]3N2C(=O)[C@@H](NC3=O)CC4=CC=CC=C4)(C5=CC=CC=C51)Br 1 1.795 3 4 0 -8.18650262279612 24747093 CCOC1=CC=C(C=C1)C(=O)NC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.108 2 4 -19.7059505724205 24747094 C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CC3=CC=C(C=C3)F 1 4.19 1 1 4.87946406049526 24747095 COC1=C(C(=CC(=C1)CNCCCN2CCOCC2)Cl)OCC=C.Cl Cl- 1 2.504 2 3 -8.19716911643928 24747097 COC1=CC=CC=C1N2/C(=C\3/C=CC=CC3=O)/NN=C2SCC(=O)NC4=CC=CC(=C4)C(=O)O 1 3.264 4 5 0 -20.4839593862442 24747098 COC1=CC=C(C=C1)CN2CCC(CC2)C(=O)C3=CC=C(C=C3)F 1 3.969 1 2 5.29281679356867 24747099 CC1=CC(=C2C=C(C(=NC2=C1)NCCNC(=O)C3=CC=CC=C3OC)C#N)C 1 3.583 4 2 -8.03672537432071 24747100 CC1=C(C2=C(C=C1)C=C(C(=N2)NCCNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C#N)C 1 3.55 4 4 0 -11.5567610938165 24747101 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCNCC2.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 0.616 2 4 0 -13.2876385122771 24747102 CC1=C[N+](=CC=C1)CC(=O)NC2=CC=C(C=C2)N(C)C.[Cl-] Cl- 1 2.719 3 1 -7.56365970984976 24747103 C1OC2=C(O1)C=C(C=C2)CNCC3=CC(=CC=C3)F.Br Br- 1 2.924 1 2 2.69971310208432 24747104 CC1=CC(=CC=C1)NC(=O)C[N+]2=CC=CC(=C2)C.[Cl-] Cl- 1 3.043 2 1 -4.36251299465663 24747105 COC1=C(C=C(C=C1)CCNC(=O)C2CCCN2C(=O)NC3=CC=C(C=C3)Cl)OC 1 3.344 3 4 0 -14.209225151079 24747106 CN(C)CCCNC(=S)N1CCC(CC1)C2=NC3=CC=CC=C3N2 1 3.307 5 0 -11.2578010048435 24747107 CC1=CC2=C(C=C1)C=C(C(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N 1 3.343 4 1 -0.788262153588629 24747108 CCN1C2=CC=CC=C2N=C1N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.568 4 2 -14.4199677188384 24747109 COC1=CC=C(C=C1)C2=CSC(=N2)N(CCCN3CCOCC3)C(=O)CCl.Cl Cl- 1 2.505 3 3 -2.43162570318272 24747110 COC1=C(C=C(C=C1)CCNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)F)OC 1 2.458 2 4 -12.1671780974855 24747111 COC1=C(C=C(C=C1)CCNC(=O)C2CCCN2C(=O)NC3=CC=C(C=C3)F)OC 1 2.885 3 4 0 -15.3193468162006 24747113 CC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.166 3 4 0 -16.0312238416658 24747145 CS(=O)(=O)N1[C@@H]2[C@@](C[C@@H]3N2C(=O)[C@@H](NC3=O)CC4=CC=CC=C4)(C5=CC=CC=C51)[C@@]67C[C@H]8C(=O)N[C@H](C(=O)N8[C@@H]6N(C9=CC=CC=C79)S(=O)(=O)C)CC1=CC=CC=C1 1 2.16 6 8 0 -8.65135293414709 24747144 CC1(NC(=O)[C@@H]2N1CCC2)C 1 -0.106 2 1 0 -1.98918185398929 24747143 C1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N2)CC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F 1 4.878 3 4 0 -5.10763641124594 24747142 CS(=O)(=O)N1[C@H]2[C@](C[C@@H]3N2C(=O)[C@@H](NC3=O)CC4=CC=CC=C4)(C5=CC=CC=C51)Br 1 1.795 3 4 0 -8.18650262279612 24747141 C[C@@](C(=O)OC)(C1(CC1)C(=O)SC(C)(C)C)O 1 1.748 0 4 0 -3.3264658648853 24747139 CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C)Br.Cl Cl- 1 2.148 3 1 -0.975440721295351 24747137 CCO.CCOC1=C(C=C(C=C1)Cl)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C CCO 1 0.806 4 3 0 -4.79666034081198 24747136 CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)/C=C\3/C=C/C(=C/4\C=C(C=CC4=O)[N+](=O)[O-])/O3 1 2.203 3 5 0 -5.25541900994655 24747135 C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CCN.Cl Cl- 1 2.972 2 1 2.75902198828954 24747134 CC1=C(C=C2C(=N1)N(C(=N2)C)CC3=CC=CC=C3[N+](=O)[O-])NC(=O)C 1 1.741 5 3 0 -11.9853355573894 24747132 CC1=CN2C=C(N=C2C=C1)C3=CC(=C(C=C3)O)O.Cl Cl- 1 2.519 2 2 7.98880262905673 24747129 C1=CC=C2C=C(C=CC2=C1)OCC(CNCC3=CN=CC=C3)O.Cl Cl- 1 2.247 2 2 -5.87668611289205e-003 24747127 CC1=C(C=CC=C1Cl)NC(=O)CCN2CCN(CC2)CCO.Cl Cl- 1 1.773 3 2 0 -0.66167615535965 24747126 CC1=CC2=C(N=CN=C2S1)NC3=CC=C(C=C3)O.Cl Cl- 1 3.104 3 1 10.3848128306565 24747122 CCCCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC.Cl Cl- 1 2.574 3 2 -6.56034788876482 24747121 CC1=C(C2=CC=CC=C2N1CC(=O)OC)/C=C/C3=CC=[N+](C=C3)C.[I-] I- 1 3.772 2 2 -2.80916303544153 24747120 CC(C)C1=CC=C(C=C1)CNCCCSC2=NC=CC=N2.Cl Cl- 1 3.557 3 0 -2.5422336381935 24747118 CN\1C2=CC=CC=C2S/C1=C\C3=CC=CC=[N+]3CCO.[I-] I- 1 3.837 2 1 5.9141766750518 24747117 CC(=O)C1=CC(=CC=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 2.237 3 2 -4.84862759809003 24747115 COC1=CC=C(C=C1)CN2C3CCC2CC(C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 3.185 2 5 0 -7.77672127349037 24747114 CC1=NC2=C(C(=N1)NCCC3=CC=CC=C3)N=NN2CC4=CC=CC=C4 1 3.38 6 0 -9.54571014808222 24747092 COC1=CC=C(C=C1)CN2CCC(CC2)C(=O)C3=CC=C(C=C3)Cl 1 4.427 1 2 6.40293845869024 24747090 CC(C(=O)C1=CC=C(C=C1)Br)[N+]2=CC=CC3=CC=CC=C32.[Br-] Br- 1 5.122 1 1 0.5234573461389 24747089 CC1=C[N+](=CC=C1)CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-].[Cl-] Cl- 1 3.116 3 3 -6.79093496336342 24747088 CC1=C[N+](=CC=C1)CC(=O)NC2=CC(=C(C=C2)C)C.[Cl-] Cl- 1 3.529 2 1 -5.33858474021103 24747087 CN(C)S(=O)(=O)C1=CC=C(O1)C(=O)NCC[N+]2(CCCCCC2)C.[I-] I- 1 -0.168 3 4 0 -15.2940519177406 24747086 C1CN(CCC1NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 1.981 2 3 0 -17.8148841861031 24747085 C1CC(N(C1)C(=O)NC2=CC(=CC=C2)Cl)C(=O)NCCC3=CC=CC=C3 1 3.377 3 2 -9.78348277875159 24747083 CC1CC(CN(C1)CCC(=O)NC2=CC=CC(=C2)C)C.Cl Cl- 1 3.246 2 1 -6.38874930635016 24747082 CC1=CC(=C(C=C1)C)NC(=O)CCN2CCN(CC2)CCO.Cl Cl- 1 1.595 3 2 0 -3.6962568541883 24747081 CC(C)(C)CC(C)(C)N=C1/C(=C\2/C=CC(=O)C(=C2)OC)/NC3=CNC=CN31 1 0.861 4 2 0 -7.9978220597141 24747079 CC1=C(C=CC(=C1)NC(=O)CCN2CCN(CC2)C)Br.Cl Cl- 1 2.396 3 1 -1.28205930118167 24747078 CC1=CC(=C(C=C1)C)NC(=O)C2=CC=[N+](C=C2)C.[I-] I- 1 3.191 2 1 -6.29612084010838 24747077 COC1=C(C=C(C=C1)CCNC(=O)C2CCCN2C(=O)NC3=CC=CC=C3)OC 1 2.68 3 4 0 -16.1878779800392 24747076 C1C(OC2=CC=CC=C2O1)CNCC(COC3=CC=C(C=C3)Cl)O.Cl Cl- 1 3.033 1 4 0.840926861737541 24747075 CC1=CC(=C2C=C(C(=NC2=C1)NCCNC(=O)C3=CC(=CC(=C3)OC)OC)C#N)C 1 3.566 4 3 0 -8.74445324219772 24747074 CCN(CC)CCCNC(=S)N1CCC(CC1)C2=NC3=CC=CC=C3N2 1 4.005 5 0 -12.8193942456103 24747073 C1CN2CCC1C(C2)NCC3=CC=C(C=C3)F.Cl Cl- 1 2.109 2 0 8.24585518405782 24747072 CC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCNC(=O)C3=CC=C(C=C3)OC 1 3.097 4 2 -6.30191131939989 24747071 C1CC2CC(CC1N2CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl 1 3.915 2 1 -4.99352859402076 24747070 C1CCC(CC1)(C#CCN2CCCC2)O.Cl Cl- 1 2.546 1 1 1.09892820856212 24747069 CC1=CC2=C(C=C1)C=C(C(=N2)N3CCN(CC3)C(=O)C4=CC=CS4)C#N 1 3.297 4 1 -5.34485905664776 24747068 CCCN1C2CCCC1CC(C2)NC(=O)NC34CC5CC(C3)CC(C5)C4 1 3.47 3 1 -8.74452356864656 24747067 C1=CC=[N+](C=C1)CC(=O)NC2=CC=CC=C2C(F)(F)F.[Cl-] Cl- 1 3.013 2 1 -7.43294534734394 24747065 CN1C(/C(=C(\C2=CC=C(C=C2)Br)/O)/C(=O)C1=O)C3=CC=C(C=C3)OC 1 3.108 1 4 -3.27101946976662 24747063 CC1=C[N+](=CC=C1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-].[Cl-] Cl- 1 2.451 3 3 -6.99677111859434 24747062 C1C[C@H](NC1)C(=O)NC2=CC(=CC=C2)F.Cl Cl- 1 1.222 2 1 0 -4.15048893286338 24747061 CC1CN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-].Cl Cl- 1 2.374 3 3 -13.9062725558119 24747060 CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-].[Cl-] Cl- 1 2.127 4 3 0 -9.73820510534708 24747059 CCOC1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCCC3=CC=CC=C3 1 2.618 2 3 -11.0391757715758 24747058 CC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCNC(=O)C3=CC=CC=C3 1 3.113 4 1 -6.6845926777651 24747056 CCC1=CC=C(C=C1)OCC(CN2CCN(CC2)CCO)O.Cl Cl- 1 1.801 2 3 0 -1.0069814588651 24747055 CC1=C[N+](=CC=C1)CC(=O)NC2=CC=C(C=C2)C(=O)C.[Cl-] Cl- 1 2.297 2 2 -8.61705586203378 24747054 C1=CC=[N+](C=C1)CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-].[Cl-] Cl- 1 2.629 3 3 -8.36262708638075 24747053 CC1=C(C=C2C(=N1)N(C(=N2)C)CC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C 1 1.741 5 3 0 -10.7340160218907 24747051 CCN1CCN(CC1)CCC(=O)NC2=CC=CC(=C2)C.Cl Cl- 1 1.997 3 1 0 -1.80393490975478 24747050 C1CN(CCC1C(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3 1 4.444 1 1 6.00108976305478 24747048 CC1=CC(=C(C=C1)C)N2C(=O)CC(C2=O)CC3=CC=CC=C3.Cl Cl- 1 3.913 1 2 -3.82058915222882 24747047 C1COCCN1CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O.Cl Cl- 1 0.303 3 5 0 -9.98118619393168 24747046 CC1=CC=C(C=C1)C(=O)N(CCCN(C)C)C2=NC(=CS2)C3=CC=C(C=C3)OC.Cl Cl- 1 4.435 3 2 -2.1123880924828 24747044 CC(=O)OC1=CC=CC=C1/C=C/C2=[N+](C3=CC=CC=C3C=C2)C.[I-] I- 1 4.679 1 2 2.6557498515783 24747043 CC1C(=O)N(CCN1)C2=CC=CC=C2OC.Cl Cl- 1 0.912 2 2 0 -7.44849401010072 24747042 CCCOC1=CC=C(C=C1)C(=O)NCCN2CCOCC2.Cl Cl- 1 1.72 2 3 0 -9.92162626731648 24747041 COC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 1.926 2 3 0 -9.5592422196265 24747039 CC(C)(C)NC(=O)CSC1=NC2=C(N1C3CCCCC3)N=CC=C2 1 3.532 4 1 -20.2121439641383 24747038 CC1CCCN(C1)CCC(=O)NC2=CC=CC(=C2)C.Cl Cl- 1 2.927 2 1 -2.30911435133505 24747037 C1=CC(=C[N+](=C1)CC(=O)C2=CC=CS2)Br.[Br-] Br- 1 3.392 1 1 -3.84570992606189 24747036 CC1=C(C=C(C=C1)C(=O)C[N+]2=CC(=CC(=C2)C)C)[N+](=O)[O-].[Br-] Br- 1 4.043 2 3 -5.54217207087098 24747035 CN(C)CCCN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl Cl- 1 3.9 3 5 0 -5.15998852150569 24747034 CNC(=S)NC1CC2CCCC(C1)N2CC3=CC=CC=C3OC 1 3.31 3 1 -9.63007388052934 24747033 CCN(CC)CCCN(C1=NC(=CS1)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3.Cl Cl- 1 4.723 3 2 -1.75129271978862 24747032 CC1=CC=[N+](C=C1)CC(=O)NC2=CC=CC(=C2)C.[Cl-] Cl- 1 3.043 2 1 -4.47058629832854 24747031 CCNC(=S)NC1CC2CCCC(C1)N2CCC3=CC=CC=C3 1 3.996 3 0 -7.01670124685082 24747030 CC1=CC(=C(C=C1)OC)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3F.Cl Cl- 1 3.509 3 2 -1.74026142594851 24747029 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=C(C=C2Cl)C)C.Cl Cl- 1 2.897 2 3 -8.82641861199766 24747028 CC1=CC=CC=C1C(=O)N(CCCN(C)C)C2=NC(=CS2)C3=CC=C(C=C3)OC.Cl Cl- 1 4.435 3 2 -2.70918849352546 24747027 CC1=C(C=C2C(=N1)N(C(=N2)C)CC3=CC=CC=C3)NC(=O)C(C)(C)C 1 3.393 4 1 -15.1522460131602 24747026 CC1=C(C=C2C(=N1)N(C(=N2)C)CC3=CC=CC=C3)N 1 1.98 4 0 0 -3.19803819156209 24747025 C[N+]1=CC=CC=C1/C=C\2/N(C3=CC=CC=C3S2)CCO.[I-] I- 1 3.837 2 1 6.56066182339433 24747024 CCC(=O)NC1CC2CCCC(C1)N2CC3=CC=C(C=C3)C 1 3.195 2 1 -4.44736142139206 24747023 C1=CC=C2C(=C1)C=CC3=C2N=C(N3)C4=CC=C(C=C4)N.Cl Cl- 1 3.432 3 0 10.3537877499455 24747022 COC1=CC=C(C=C1)CN2CCNCC2.Cl Cl- 1 1.308 2 1 0 -1.52183168991639 24747021 COC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NCCC3=CC=CC=C3 1 2.696 3 3 -12.8479240180764 24747019 C1CCCN(CC1)C2CCNCC2.Cl Cl- 1 1.268 2 0 0 -3.00157557767716 24747018 CC1=CC(=CC=C1)NC(=O)C[N+]2=CC=C(C=C2)N(C)C.[Cl-] Cl- 1 2.719 3 1 -5.79453981757285 24747017 CC1=CC2=C(C=C1)C=C(C(=N2)NCCNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C#N 1 3.064 4 4 0 -10.1012470764638 24747016 CCOC1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)F 1 2.502 2 3 -10.2374014015356 24747015 C1CN(CCC1NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.775 2 3 0 -19.6154402411259 24747014 CNC(=O)CSC1=NC2=C(N1C3CCCCC3)N=CC=C2 1 2.601 4 1 -15.9103365931855 24747013 CC1=NC2=C(N1)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=CN4 1 1.906 5 1 0 -9.07120319845805 24747012 COC1=CC(=CC(=C1)C(=O)NC2CCN(CC2)CCCOC3=CC=CC=C3)OC 1 2.81 2 4 -4.59934044432388 24747011 COC1=C(C=C(C=C1)C2=NN=C(C=C2)NCCN3CCOCC3)OC 1 1.827 4 3 0 -4.38424711008312 24747010 COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)OC 1 3.087 1 4 -2.98762348353285 24747008 C1CN(CCC1NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.981 2 3 0 -17.7145221143763 24747007 COC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=CC=C3)OC 1 1.932 2 4 0 -13.0669246483203 24747006 COC1=CC=C(C=C1)CNC(=O)C2=CNC3=C(C=C(C=C3C2=O)OC)OC 1 1.915 2 5 0 -10.6485930600316 24747005 C1=CC=C(C=C1)CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)F 1 2.17 2 2 -9.15599172073487 24747004 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3Cl 1 3.056 2 3 -15.8084774675342 24747003 COC1=CC=CC(=C1)NC(=O)CCN2CCOCC2.Cl Cl- 1 0.876 2 3 0 -5.87941936155978 24747002 C1CN(CCC1NC(=O)C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC=C3 1 1.981 2 3 0 -17.7996223248038 24747001 CC1=CC(=CC=C1)OCC(CN2CCNCC2)O.Cl Cl- 1 1.349 2 2 0 -6.25093411507884 24747000 CC1=CC=CC=C1C(C2=CC=NC=C2)N.Cl Cl- 1 1.883 2 0 0 -2.21405939602753 24746999 COC1=CC=C(C=C1)CN2C3CCC2CC(C3)NC(=O)C4=CC(=CC=C4)F 1 3.439 2 2 -3.22818607656669 24746998 CCN1C2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-].Cl Cl- 1 3.419 5 2 0 2.17375943652628 24746997 CCN(CC)C(=O)CSC1=NC(=NC2=CC=CC=C21)COC3=CC=CC=C3 1 3.887 3 2 -14.4063647377149 24746996 CC1=CC(=C(C(=C1)C)NC(=O)CCCCCNC2CCCCC2)C.Cl Cl- 1 5.219 2 1 -10.6786370289524 24746995 CN(C)CCCN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3F.Cl Cl- 1 4.154 3 2 -1.81270769298336 24746994 COC1=C(C=C(C=C1)Cl)CNCCCSC2=NC=CC=N2.Cl Cl- 1 3.01 3 1 2.57734004687346e-002 24746993 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC(=CC(=C2)OC)OC)C.Cl Cl- 1 1.745 2 3 0 -14.6276619061445 24746992 COCCNC(=O)CN(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CN=C(C=C2)N3CCCC3 1 2.011 4 3 0 -13.7835415208865 24746991 C1CC2CC(CC(C1)N2CC3=CC=C(C=C3)F)NC(=O)C4=CC=C(C=C4)F 1 4.118 2 1 -3.7662029376357 24746989 CC1=CC(=C(C=C1)NC(=O)CNCC2=CC=CS2)Br.Cl Cl- 1 2.978 2 1 -6.71388726523155 24746988 CCN(CC)CCCN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Br.Cl Cl- 1 5.395 3 2 -3.3086423877642 24746987 C1CN(CCC1NC(=O)C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=C(C=C3)F 1 2.186 2 3 -17.0070124538954 24746986 CC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F 1 3.665 2 2 -3.4030074770744 24746985 C1CCC(CC1)NCC2=CN=CC=C2.Cl Cl- 1 2.075 2 0 0.276712174444716 24746984 CN(C)CCCN(C1=NC(=CS1)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3.Cl Cl- 1 4.025 3 2 -0.189699479021842 24746983 COC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)NCC3=CC=CC=C3 1 1.948 2 3 0 -10.0245387648359 24746982 COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F 1 3.309 1 3 -1.44942751585005 24746981 C1COCCN1CCNC2=NN=C(C=C2)C3=CC=C(C=C3)F 1 2.066 4 1 -0.12309331728277 24746980 CC1=NC2=C(C(=N1)NC3CCCCC3)N=NN2CC4=CC=CC=C4Cl 1 3.998 6 0 -10.4860623944951 24746979 CC1=CC2=C(C=C1)OC(C(=O)N2CC(=O)NC3=C(C=CC=N3)C)C(C)C 1 3.15 3 3 -4.08457078896598 24746978 CC1=CC=CC2=C1N=C(C(=C2)C#N)NCCNC(=O)C3=CC=C(C=C3)OC 1 3.097 4 2 -8.52756023062163 24746977 CC(C)(C)C(=O)NC1CC2CCCC(C1)N2C(=O)NC3=CC(=CC=C3)OC 1 2.821 3 3 -11.9268630681747 24746975 CC1CCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C.Cl Cl- 1 2.411 3 3 -21.3694219386787 24746974 C1=CC2=C(N=C1)N(C(=N2)SCC(=O)N)C3=CC=C(C=C3)F 1 2.319 4 1 -7.01048090352926 24746973 CC1=C[N+](=CC=C1)C(C)C(=O)NC2=CC(=C(C=C2)C)C.[Br-] Br- 1 4.013 2 1 -5.43126115103277 24746972 CCN1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)C.Cl Cl- 1 1.997 3 1 0 -3.69158046308391 24746971 CCCCCOC1=CC=C(C=C1)C(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 4.392 1 3 -4.82731097305787 24746970 CCOC1=CC=CC=C1CNCCC2=CC3=C(C=C2)OCO3.Cl Cl- 1 3.372 1 3 -0.528191927679102 24746969 CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=S)NCCCN(C)C)C#N 1 3.557 6 0 -7.1336100344555 24746968 CC1=NC2=C(C(=N1)NC3=CC=CC=C3F)N=NN2CC4=CC=CC=C4Cl 1 3.922 6 0 -6.79372361429602 24746967 CC1=NC2=C(C(=N1)NC3=CC=CC=C3C(=O)OC)N=NN2CC4=CC=CC=C4 1 2.907 6 2 0 -13.963214589147 24746966 C1=CC=C(C=C1)CNC2=NC(=NC3=C2N=NN3CC4=CC=CC=C4)C(F)(F)F 1 4.147 6 0 -10.8023774066381 24746965 C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NCCC4=CC=C(C=C4)Cl)N=N2 1 4.089 6 0 -4.8738812818774 24746964 CN1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)CCC(=O)O 1 -1.595 2 3 0 -6.70767823457156 24746963 CCCNC(=S)NC1CC2CCCC(C1)N2CC3=CC=C(C=C3)F 1 4.404 3 0 -8.27581730879932 24746960 COC1=CC(=C(C=C1CNCC2COC3=CC=CC=C3O2)OC)OC.Cl Cl- 1 2.781 1 5 -0.297277268213734 24746959 CNC(=O)CSC1=NC2=C(N1C3=CC=C(C=C3)F)N=CC=C2 1 2.525 4 1 -9.84547696253744 24746958 CCOC(=O)C1=CN(/C(=C/[NH+]=O)/C=C1)CC2=CC=CC=C2.[Br-] Br- 1 1.651 2 3 0 -2.2229575630348 24746957 CCCCOC1=CC=C(C=C1)N2C(=NC(=NC23CCCCC3)N)N.Cl Cl- 1 3.662 5 1 4.45814807325451 24746956 CC1CN(CC(O1)C)CCC(=O)NC2=CC(=C(C=C2)C)C.Cl Cl- 1 2.619 2 2 -9.21249738692558 24746955 CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=S)NCCCN(CC)CC 1 3.713 6 0 -11.209820801426 24746954 C1OC2=C(O1)C=C(C=C2)CNCC3=CC=CC=C3F.Br Br- 1 2.924 1 2 0.86392243297499 24746952 CC1=CC2=C(C=C1)N=C(N2)C3=CC=CC=N3.Cl Cl- 1 3.034 3 0 5.82739064266926 24746951 CC1=CC=CC=[N+]1CC(=O)NC2=CC=CC=C2OC.[Cl-] Cl- 1 2.2 2 2 -9.12700603573383 24746949 CCNC(=S)NC1CC2CCCC(C1)N2CC3=CC=C(C=C3)C 1 4.161 3 0 -6.51175265949676 24746948 COC1=CC(=CC(=C1OC)OC)C(=O)NC2CC3CCCC(C2)N3CC4=CC=CC=C4 1 3.657 2 4 -8.35935085820676 24746947 CC1=CC=C(C=C1)CN2C3CCCC2CC(C3)NC(=O)C 1 2.528 2 1 -4.29788074906162 24746946 CC1=CC=CC=[N+]1CC(=O)C2=CC=C(C=C2)Cl.[Cl-] Cl- 1 3.5 1 1 -1.1739132684445 24746945 CN(C)CCCN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3Cl.Cl Cl- 1 4.613 3 2 -1.92105908348127 24746944 CCN(CC)C(=O)CN1CCC(CC1)C2=NC3=C(N2)C=C(C(=C3)C)C 1 3.168 4 1 -6.27354211045326 24746943 CCOC1=C(C=CC(=C1)CNCC2=CC3=C(C=C2)OCO3)OC.Cl Cl- 1 3.035 1 4 -5.04639737715463 24746942 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Cl)NCCCO.Br Br- 1 2.872 3 2 -1.94604016032963 24746940 CC1=CC2=C(C=C1)N=C(N2)CCC3=NC4=C(N3)C=C(C=C4)C.Cl Cl- 1 4.234 4 0 1.34148280372717 24746939 C1COCCN1CCC(=O)NC2=CC=C(C=C2)Cl.Cl Cl- 1 1.556 2 2 0 -4.00115985651649 24746937 CC1=C(C=C2C(=N1)N(C(=N2)C)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4 1 3.511 4 1 -10.4018716036019 24746936 CCC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCCN4CCOCC4)C 1 3.742 5 1 -7.03588952511455 24746934 CC(C)CN(CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3)O)CC(C)C.Cl Cl- 1 5.081 1 3 4.83393655988154 24746933 CC1=CC=[N+](C2=CC=CC=C12)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Br-] Br- 1 4.27 2 3 -3.78099372855874 24746932 CC1=CC=CC=[N+]1CC(=O)NC2=CC=C(C=C2)C(=O)OC.[Cl-] Cl- 1 2.071 2 3 -8.51205505653821 24746931 CCOC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=C2C=CC(=C3)C.[Br-] Br- 1 4.708 1 2 -0.144224184317467 24746930 CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)CCO)O)C.Cl Cl- 1 1.831 2 3 0 -0.912274901417817 24746929 COC1=CC=C(C=C1)C=NNC2=NC(=CS2)C(=O)O.Br Br- 1 1.85 3 3 0 -4.50127133343891 24746928 COC1=CC=C(C=C1)CCNC2=NC=NC3=C2N=NN3CC4=CC=CC=C4 1 3.408 6 1 0 -7.10884618160836 24746927 COC1=CC=CC(=C1)NC(=S)N2CCC(CC2)C(=O)C3=CC=C(C=C3)F 1 5.113 2 2 -8.1979135025752 24746926 CCN1C2=CC=CC=C2N=C1CCC3=CC=CC=C3.Cl Cl- 1 4.316 2 0 -1.14554977844391 24746924 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CNCC2=CC=CS2.C(=O)O COOH 1 1.905 3 3 0 -17.2496228189713 24746922 CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN4CCN(CC4)CCO)C=C1.Cl Cl- 1 2.87 4 4 0 -5.15444131588981 24746921 COC1=CC=CC=C1N2CCN(CC2)CC(=O)C3=CC=C(C=C3)F.Cl Cl- 1 3.394 2 2 -0.614255823965492 24746919 CC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)CCO.Cl Cl- 1 1.108 3 2 0 -1.91761517049323 24746917 CCN(CC)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3)O.Cl Cl- 1 3.395 1 3 4.7725254827953 24746915 CC1=CC(=CC=C1)OCC2=NC3=CC=CC=C3N2C.Cl Cl- 1 3.798 2 1 4.91588937374249 24746914 CN(C)CC[N+]1=CC=C(C=C1)C(=O)C2=CC=CC=C2.Cl.[Cl-] Cl- Cl- 1 2.977 2 1 -0.590471989677185 24746912 CC1=C[N+](=CC=C1)CC(=O)C2=CC=C(C=C2)Cl.[Cl-] Cl- 1 3.841 1 1 1.5903030090821 24746911 CC1CCCCC1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.29 3 3 -22.6981894177541 24746910 CC1=C(C=CC(=C1)OCC(CN2CCCC2)O)C(C)C.Cl Cl- 1 3.582 1 2 -3.08632894615426 24746909 C1CNCCC1COC(=O)C2=CC3=C(C=C2)OCO3.Cl Cl- 1 1.606 1 4 0 -11.2331428721796 24746907 CC1(CC2=CC=CC=C2C(=N1)COC3=CC=CC=C3)C.Cl Cl- 1 3.987 1 1 -2.4946199370397 24746906 CC(C)C1=CC(=NC2=CC=C(C=C2)S(=O)(=O)N)C=C(C1=O)C(C)C.O H2O 1 3.539 2 3 -2.5588997346092 24746905 CC1=NC2=C(C(=N1)NCCC3=CC=C(C=C3)Cl)N=NN2CC4=CC=CC=C4 1 4.044 6 0 -6.61586509066756 24746904 CC1CCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCCC3C)C 1 2.914 3 3 -16.9824519464309 24746903 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4 1 3.142 2 5 0 -9.89009980824757 24746902 COC1=CC=C(C=C1)CCNC2=NC=NC3=C2N=NN3CC4=CC=CC=C4Cl 1 4.072 6 1 0 -5.92862329341979 24746901 C[N+](C)(C)CCNC(=O)C1=C/C(=C\[NH+]=O)/N(C=C1)CC2=CC=CC=C2.[I-] I- 1 -0.562 4 2 0 -8.04431267786273 24746900 CC1=NC2=C(C(=N1)NCCC3=CC=C(C=C3)OC)N=NN2CC4=CC=CC=C4 1 3.364 6 1 0 -8.85082999039852 24746899 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2C3CCCC2CC(C3)NC(=O)C 1 1.495 3 4 0 -11.5334927083688 24746898 COC1=C(C=C(C=C1)NC(=O)C(=O)NC2=CC=CC3=C2N=CC=C3)OC 1 2.034 3 4 0 -12.3768536531488 24746896 CC1=CC(=NC(=N1)CC2=CC(=C(C=C2)OC)[N+](=O)[O-])Cl.Cl Cl- 1 2.74 3 3 -8.77762530232537 24746895 CCOC1=CC=CC=C1NC(=O)CN2CCCCCC2.Cl Cl- 1 2.662 2 2 -8.9207941467443 24746894 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCCCC3 1 1.97 3 3 0 -20.1800879808785 24746893 COC1=CC(=CC(=C1)CNC(=O)C2=NC=CN=C2)OC 1 0.716 3 3 0 -13.99887034925 24746892 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=CC=C3)Br)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C.Cl Cl- 1 4.534 4 2 -12.0217960994257 24746891 CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O.I I- 1 1.442 1 3 0 3.95418525912699 24746890 C[N+]1=CC=CC=C1/C=C/C2=CC(=C(C=C2)F)F.[I-] I- 1 4.123 1 0 3.31885315607691 24746889 C1=CC=C(C=C1)CCNC(=O)C2=CNC3=C(C2=O)C=CC=C3F 1 2.491 2 2 -9.30591208786424 24746888 CC1=CC=C(C=C1)C(=O)NC2CC3CCCC(C2)N3CC4=CC=CC=C4 1 4.193 2 1 -4.46657592566299 24746887 CN1C2=C(C=C(C=C2)OC)C3=C1N=C(N=N3)SCC(=O)NC4=CC=CC=C4F 1 3.799 5 2 0 -14.0579036291185 24746886 C1CC(N(C1)C(=O)NC2=CC=CC=C2)C(=O)NCCC3=CC=C(C=C3)Cl 1 3.377 3 2 -9.95479835193919 24746883 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.043 2 2 -1.1710870757793 24746882 CN(C)CCC1=CC2=C(C3=C1C=CC4=CC=CC=C43)OCO2.Cl Cl- 1 3.809 1 2 4.47305673639177 24746881 CC(C)(C)C(=O)CN1C2=CC=CC=C2N3C1=NCCC3.Br Br- 1 2.374 3 1 -11.4248104817296 24746880 CN1C2=C(C=C(C=C2)F)C3=C1N=C(N=N3)SCC(=O)NC4=CC(=CC=C4)O 1 3.573 5 2 0 -9.04185240840755 24746879 COC(=O)CSC1=NC(=NC2=CC=CC=C21)COC3=CC=CC=C3 1 3.631 2 3 -10.6519477759901 24746878 CC(=O)C1=CC(=CC=C1)NC(=O)NC2=NC(=NS2)SCC=C 1 2.812 4 2 -8.43969838269775 24746876 CC1=NC2=C(C(=N1)NCCC3=CC=CC=C3)N=NN2CC4=CC=CC=C4Cl 1 4.044 6 0 -8.24086879485781 24746875 COC1=CC(=C(C=C1)NC(=O)C(=O)NC2=CC=CC3=C2N=CC=C3)OC 1 2.034 3 4 0 -10.4476434297464 24746874 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC(=CC(=C4O)Cl)[N+](=O)[O-])C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.465 2 3 6.74713707129101 24746873 COC1=CC=C(C=C1)C=NN2CCN(CC2)CC3=CC=CC=C3Cl.Cl Cl- 1 3.752 3 1 3.3590757975172 24746872 CCN(CC)CCCN(CC(=O)N(C)CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].O.Cl Cl- H2O 1 2.886 4 4 0 -16.2629911592759 24746871 CC(C(=O)C12CC3CC(C1)CC(C3)C2)N4CCOCC4.Cl Cl- 1 2.629 1 2 -3.40730557571983 24746870 CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC(=C(C=C3)OC)OC.[I-] I- 1 5.228 1 2 6.7622156130775 24746869 CCOC(=O)C1CCCN(C1)CCC(=O)NC2=CC=C(C=C2)Br.Cl Cl- 1 2.764 2 3 -5.70658059455251 24746868 CC1=CC=CC=[N+]1CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-].[Cl-] Cl- 1 2.11 3 3 -7.52127607852337 24746867 CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=C(C=CC(=C3)[N+](=O)[O-])O.[I-] I- 1 4.913 2 3 12.0924885919805 24746866 COC1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3N=C2N)OC.Cl Cl- 1 2.762 3 3 -0.795017917972659 24746865 C1CCC(CC1)NC(=O)N2CCNCC2.Cl Cl- 1 0.855 3 1 0 -14.1952094371016 24746864 COC1=CC=C(C=C1)OCC(CN2CCNCC2)O.Cl Cl- 1 0.846 2 3 0 -7.90101968456134 24746863 CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CNC)C=C1.Cl Cl- 1 2.916 3 3 -6.04698521641774 24746861 CC1=CC=CC=C1NC(=O)N2C3CCCC2CC(C3)NC(=O)C 1 1.777 3 2 0 -9.45013307322253 24746860 CC(=O)NC1CC2CCCC(C1)N2C(=O)NC3=CC(=CC=C3)OC 1 1.274 3 3 0 -7.16734661426821 24746859 CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O 1 3.113 3 3 -8.48818623707213 24746858 C1CNCCC1COC(=O)C2=CC=C(C=C2)F.Cl Cl- 1 2.043 1 2 -7.4354023178007 24746857 C[N+]1=CC=CC=C1/C=C/C2=C(C=CC=C2F)F.[I-] I- 1 4.123 1 0 0.558306149731321 24746856 CC1=CC(=CC=C1)NC(=O)N2C3CCCC2CC(C3)NC(=O)C 1 1.777 3 2 0 -5.2234402464826 24746854 C1=CC=C(C=C1)CCNCC2=CC=CS2.Cl Cl- 1 3.012 1 0 -0.232428109573795 24746853 C1CC(OC1)CNCC2=CC=C(C=C2)Cl.Br Br- 1 2.39 1 1 -0.139285843959057 24746852 CC(=O)NC1=CC=[N+](C=C1)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-].[Cl-] Cl- 1 1.705 3 4 0 -8.06472477283852 24746851 CC(=O)C1=CC(=CC=C1)NC(=O)N2C3CCCC2CC(C3)NC(=O)C 1 1.031 3 3 0 -9.31212044027476 24746849 CN1CCC(=CC1)/C=C/C2=CC=C(C=C2)C3=CC=CC=C3.Cl Cl- 1 4.392 1 0 7.27557997117251 24746846 CC(C)(C)SC1=NSC(=N1)NC(=O)NC2=CC(=CC=C2)OC 1 3.37 4 2 -1.98136852430837 24746845 CN(C)C1=CC=[N+](C=C1)CC(=O)C2=CC=CS2.[Cl-] Cl- 1 2.806 2 1 -6.60283965714348 24746844 CC1=CC=[N+](C=C1)CC(=O)NC2=CC=CC=C2.[Br-] Br- 1 2.557 2 1 -6.05026738635985 24746842 C[N+]1=CC=CC=C1/C=C/C2=CC3=C(C=C2)N=CC=C3.[I-] I- 1 3.898 2 0 3.35142270811016 24746841 CCN1C2=CC=CC=C2N=C1NCC3=CC(=C(C(=C3)OC)OC)OC.Cl Cl- 1 3.312 3 3 -7.15035724991033 24746838 C1COCCN1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F.Cl Cl- 1 2.764 2 3 -4.30303221367488 24746837 CC(=O)C1=CC=C(C=C1)NC(=O)CN2CCOCC2.Cl Cl- 1 0.384 2 3 0 -10.7091173920178 24746834 C1=CC(=CC=C1NCC2=CSC=C2)Cl.Cl Cl- 1 3.548 1 0 0.396404578126394 24746833 CC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=C(C=C2)N(C)C.[Cl-] Cl- 1 1.973 3 2 0 -11.3968679016986 24746832 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4C=C(C=C5)[N+](=O)[O-].Cl Cl- 1 2.672 5 4 0 5.83628334235303 24746831 C1=CC=C2C(=C1)C=CC=C2CNC3=CC=CC=N3.Cl Cl- 1 3.519 2 0 2.55027085559462 24746830 CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC=C(C=C3)C)C.[Cl-] Cl- 1 8.007 2 3 -4.86142480152628 24746829 CC1=C(C=C(C=C1)NC(=O)CNCCC2=CC(=C(C=C2)OC)OC)Br.Cl Cl- 1 3.527 2 3 -5.87762673719567 24746828 C1CN(CCN1)CC(COC2=CC=CC=C2Br)O.Cl Cl- 1 1.611 2 2 0 -8.4135218938087 24746827 C1CCN(C1)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F.Cl Cl- 1 3.537 2 2 -1.54995748859471 24746826 CN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=O.Cl Cl- 1 7.8e-002 4 2 0 -7.21922869361697 24746825 C1CCN(CC1)CCOC(=O)C2=CC(=CC=C2)F.Cl Cl- 1 2.946 1 2 -3.3930376586443 24746824 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=C(C=C(C=C3)Cl)Cl)NCCCO.Cl Cl- 1 3.537 3 2 0.258425645661007 24746823 CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2CCN(CC2)CC(=O)NC(C)C.Cl Cl- 1 1.364 4 4 0 -16.2248042991039 24746820 CC1=CC(=CC(=C1)NC(=O)C[N+]2=CC=CC=C2)C.[Cl-] Cl- 1 3.043 2 1 -6.93826337010259 24746819 CC1=CC=C(C=C1)CNCCCSC2=NC(=CC(=N2)C)C.Cl Cl- 1 3.414 3 0 -5.53877420644827 24746818 COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CCO.Cl Cl- 1 0.229 3 4 0 -5.52951302429794 24746817 C=CCNC(=O)CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3.Cl Cl- 1 1.305 3 3 0 -9.88705149617151 24746815 CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C(S3)N)C.Br Br- 1 2.997 4 0 12.6653428901498 24746814 CC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 1.81 2 2 0 -10.1887479850511 24746813 CC1=CC=CC(=C1)C(=O)OC(C)CN2CCCC2.Cl Cl- 1 3.148 1 2 -4.65326558188889 24746812 COC1=CC(=CC(=C1O)OC)CNCC2=CC=CO2.Cl Cl- 1 1.858 1 4 0 -0.818765910642825 24746811 CC1=CC(=NC(=N1)SCCCNCC2=CC=CC=C2)C.Cl Cl- 1 2.928 3 0 -6.16529251689406 24746810 C1=CC(=CC=C1C(=O)NCCCN2C=CN=C2)F.Cl Cl- 1 1.047 3 1 0 -4.97531891441364 24746809 CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)Br.Cl Cl- 1 3.731 3 1 -3.36333920947543 24746808 C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N=C(N)N.Cl Cl- 1 2.839 5 0 9.88425473269978 24746807 CC1=C(C=C(C=C1)NC(=O)CN2CCCC2)Br.Cl Cl- 1 2.652 2 1 -2.61534729749209 24746806 CC1(C2CCC(C2)C1(C)NC(=O)CN3CCCC3)C.Cl Cl- 1 2.24 2 1 -4.56424289687412 24746805 C1OC2=C(O1)C=C(C=C2)CNCC3=CC=C(C=C3)F.Cl Cl- 1 2.924 1 2 1.32563218069172 24746804 COC1=CC(=C(C=C1)CNCC2=CC=NC=C2)OC.Cl Cl- 1 1.767 2 2 0 2.30049411228665 24746803 CCC(=O)NC1=NC=C(C=C1)NC(=O)CCC2=CC=CC=C2 1 2.281 3 2 -10.0005012802311 24746802 CCOC1=C(C=C(C=C1)Cl)CNCCCSC2=NC(=CC(=N2)C)C.Cl Cl- 1 3.924 3 1 -3.17610538060501 24746801 CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)C4=CC=CO4 1 2.26 4 2 -3.02003521502231 24746800 CC(CN1CCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 4.192 1 2 -6.37875114727952 24746798 CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl.Cl Cl- 1 2.511 2 2 -6.66622521028626 24746797 C1=C/C(=C\[NH+]=O)/N(C=C1)CCCCCCN2/C(=C/[NH+]=O)/C=CC=C2.[Br-] Br- 1 1.179 4 2 0 -1.26270781663042 24746794 COC1=C(C=C(C=C1)CCNCC(=O)NC2=CC=C(C=C2)OC(F)(F)F)OC.Cl Cl- 1 4.412 2 4 -4.60135607544161 24746793 CC1=CC=CC=C1NC(=O)[C@@H]2CCCN2.Cl Cl- 1 1.503 2 1 0 -7.86826253105084 24746790 C1CCN(C1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.Cl Cl- 1 4.152 2 1 4.26182990186995 24746789 CC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3.Cl Cl- 1 2.325 3 2 -5.06449813233226 24746788 COC1=C(C(=CC(=C1)CNCCCN2CCOCC2)Br)OCC=C.Cl Cl- 1 2.588 2 3 -8.01313044822505 24746787 C1CC(OC1)CNCC2=CC=CC=C2F.Br Br- 1 1.932 1 1 0 -2.01399990278996 24746786 C1CC(OC1)CNCC2=CC=CC=C2Cl.Br Br- 1 2.39 1 1 -1.94066158389091 24746785 C1CC(OC1)CNCC2=CC=C(C=C2)F.Br Br- 1 1.932 1 1 0 -1.24940750908062 24746783 CCN(CC)CC.C1=CC=C2C(=C1)N(/C(=C/3\C(=O)N(C(=S)S3)N)/S2)CCCS(=O)(=O)O NEt3 1 2.481 3 4 0 -9.80609266745051 24746782 COC1=CC(=CC(=C1OC)OC)CNCC2=CC=NC=C2.Cl Cl- 1 1.751 2 3 0 -2.60984192326642 24746780 CC(CN1CCCC1)OC(=O)C2=CC=C(C=C2)F.Cl Cl- 1 2.868 1 2 -3.33061456033288 24746778 CC1(C(N2C(S1=O)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.O H2O 1 1.2e-002 2 5 0 -9.75712363677379 24746777 C1CC(OC1)CNCC2=CC(=CC=C2)F.Br Br- 1 1.932 1 1 0 -0.393382054931038 24746776 COC1=CC=CC(=C1)CNCC2CCCO2.Br Br- 1 1.71 1 2 0 -2.38301188529551 24746775 C1CNCCC1COC2=CC=CC=N2.Cl Cl- 1 1.355 2 1 0 -3.23674882306195 24746774 C[N+]1(CCCCCC1)CC(C2=CC=CC=C2)O.[I-] I- 1 1.411 1 1 0 -4.58570282529562 24746773 CN(CC1=CC=CC=C1)C2CCNCC2.Cl Cl- 1 1.478 2 0 0 -4.55539422660227 24746772 COC1=C(C=C(C=C1)CNCC2=CC=NC=C2)OC.Cl Cl- 1 1.767 2 2 0 -2.64834857363087 24746771 CC1=CC=CC=[N+]1CC(=O)NC2=CC=CC=C2.[Cl-] Cl- 1 2.216 2 1 -5.75194542655189 24746770 C1CCN(C1)CCC2=CC=C(C=C2)N.Cl Cl- 1 1.939 2 0 0 5.26461805604121 24746769 CC(C#CC1=CC2=C(C=C1)SC3=CC(=C(C=C3C2=O)OC)OC)NC 1 3.995 1 3 -0.431134559370538 24746768 CC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C#CC(C)NC)C 1 4.442 1 2 0.107720837649147 24746767 CCC1=C(NC2=C1C=C(C=C2)C(=O)OC)C3(CCCCC3)O 1 4.322 1 3 -2.5270616011376 24746766 CC(C#CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)NC 1 3.469 1 2 -0.90878530828895 24746765 CC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)C#CC(C)NC)C 1 4.442 1 2 0.710107841003538 24746764 COC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)C4=CSC=C4 1 5.107 0 2 11.8875736574288 24746763 CC1(CC(=NO1)C2=CC(=CC=C2)Cl)C3=NN=C(O3)C4=CC(=CC=C4)Cl 1 4.462 3 2 0.781699946417872 24746762 CC1=C(CCC1=O)N2C=CN=C2 1 0.52 2 1 0 -3.46255009687107 24746761 C1CN(CC2=CC=CC=C21)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O 1 4.327 1 3 0.685983423681141 24746760 C[C@H](C(=O)/C=C\CC(OC)OC)OCC1=CC=CC=C1 1 2.249 0 4 -6.24206367971034 24746759 C[C@H]([C@H]([C@H]1[C@@H](O1)CC(OC)OC)O)OCC2=CC=CC=C2 1 1.439 0 5 0 -7.88572693788866 24746758 C[C@H](C(=O)[C@H]1[C@@H](O1)CC(OC)OC)OCC2=CC=CC=C2 1 1.612 0 5 0 -12.3828393176361 24746757 C[C@@H](C(=O)[C@H]1[C@H](O1)CC(OC)OC)OCC2=CC=CC=C2 1 1.612 0 5 0 -12.3828393176361 24746756 C[C@@H](C(=O)[C@@H]1[C@H](O1)CC(OC)OC)OCC2=CC=CC=C2 1 1.612 0 5 0 -12.3828393176361 24746755 C[C@@H](C(=O)/C=C\CC(OC)OC)OCC1=CC=CC=C1 1 2.249 0 4 -6.24206367971034 24746754 C[C@H](C(=O)/C=C/CC(OC)OC)OCC1=CC=CC=C1 1 2.249 0 4 -6.24206367971034 24746753 C1CCC(CC1)[C@@H]2C[C@@H](OC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)OCCCCO 1 3.368 3 4 0 -6.22943376962573 24746752 C1[C@H](C=C(O[C@H]1OCCCCO)C(=O)NCC2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)C(F)(F)F 1 3.637 3 4 0 -0.477309693556828 24746751 C1CCC(CC1)[C@@H]2C[C@@H](OC(=C2)C(=O)NCC3=CC=CC=C3)OCCCCO 1 3.659 1 4 -7.0851108631047 24746750 C1[C@@H](C=C(O[C@@H]1OCCCCO)C(=O)NCC2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)C(F)(F)F 1 3.637 3 4 0 -0.477309693556828 24746749 C1[C@H](C=C(O[C@H]1OCCCCO)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F 1 3.929 1 4 -1.33298678703579 24746748 CC(C)(C)[C@@H]1C[C@@H](OC(=C1)C(=O)NCC2=CC=CC=C2)OCCCCO 1 2.868 1 4 -8.23747216013392 24746747 C1CCC(CC1)[C@H]2C[C@H](OC(=C2)C(=O)NCC3=CC=CC=C3)OCCCCO 1 3.659 1 4 -7.0851108631047 24746746 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCC2=CC=CC=C2)C(C)(C)C)CCCO 1 3.25 1 4 -9.57859385838268 24746745 C#CC1=CC=C(C=C1)[C@@H]2C[C@@H](OC(=C2)C(=O)NCC3=CC=CC=C3)OCC4=CC=C(C=C4)CO 1 4.989 1 4 -2.20720879589921 24746744 C1[C@H](C=C(O[C@H]1OCCCCO)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3 1 2.979 1 4 -1.99122681160358 24746743 C1[C@H](C=C(O[C@H]1OCCCCO)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)Br 1 3.735 1 4 -4.5634147288827 24746742 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NC2=CC=CC=C2)C)CCCO 1 2.328 1 4 -6.24693001842118 24746741 C1CCC(CC1)[C@@H]2C[C@@H](OC(=C2)C(=O)NC3=CC=CC=C3)OCCCCO 1 3.652 1 4 -3.40219885403172 24746740 CN1CCN(CC1)C(=O)C2=C[C@@H](C[C@@H](O2)OCC3=CC=C(C=C3)CO)C4CC4 1 1.746 2 4 0 -2.6961287817055 24746739 C1[C@@H](C=C(O[C@@H]1OCCCCO)C(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4 1 2.748 1 6 0 -4.12972014886515 24746738 CC(C)(C)[C@@H]1C[C@@H](OC(=C1)C(=O)NCC#C)OCCCCO 1 2.477 1 4 -8.13240858556166 24746737 C#CCNC(=O)C1=C[C@H](C[C@H](O1)OCC2=CC=C(C=C2)CO)C3=CC=C(C=C3)C(F)(F)F 1 4.413 1 4 -1.02681969293371 24746736 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N)C(C)(C)C)CCCO 1 1.46 1 4 0 -4.83649955163514 24746735 C1CCC(CC1)[C@H]2C[C@H](OC(=C2)C(=O)N)OCC3=CC=C(C=C3)CO 1 2.746 1 4 -2.14191303682735 24746734 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N)C2CC2)CCCO 1 0.882 1 4 0 -4.49729344811703 24746733 C#CCNC(=O)C1=C[C@H](C[C@H](O1)OCC2=CC=C(C=C2)CO)C3=CC=C(C=C3)C#C 1 4.598 1 4 -1.19890830225151 24746732 C[C@@H]1C[C@@H](OC(=C1)C(=O)NCC#C)OCC2=CC=C(C=C2)CO 1 2.439 1 4 -7.59895160007285 24746731 C1[C@@H](C=C(O[C@@H]1OCCCCO)C(=O)N)C2=CC=CC=C2 1 1.197 1 4 0 -0.563579134862697 24746730 CC(C)(C)[C@H]1C[C@H](OC(=C1)C(=O)N)OCCCCO 1 1.079 1 4 0 -3.49537785338639 24746729 C#CCNC(=O)C1=C[C@H](C[C@H](O1)OCCCCO)C2=CC3=C(C=C2)OCO3 1 2.363 1 6 0 -7.63213466634779 24746728 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCC#C)C)CCCO 1 1.944 1 4 0 -9.8247784529219 24746727 CC(=O)N1C=C(C2=CC=CC=C21)[C@@H]3C[C@@H](OC(=C3)C(=O)N)OCC4=CC=C(C=C4)CO 1 2.356 2 5 0 1.13537963465366 24746726 C1[C@@H](C=C(O[C@@H]1OCCCCO)C(=O)N)C2=CC3=C(C=C2)OCO3 1 0.965 1 6 0 -2.99510393417251 24746725 C1[C@@H](C=C(O[C@@H]1OCC2=CC=C(C=C2)CO)C(=O)NCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)C(F)(F)F 1 4.513 3 4 0 -0.351640091045096 24746724 C1CC1NC(=O)C2=C[C@@H](C[C@@H](O2)OCCCCO)C3=CC=C(C=C3)C(F)(F)F 1 2.835 1 4 -0.88103799292673 24746723 CN1CCN(CC1)C(=O)C2=C[C@@H](C[C@@H](O2)OCCCCO)C3=CC=C(C=C3)C(F)(F)F 1 2.508 2 4 2.54092019349469 24746722 C1[C@@H](C=C(O[C@@H]1OCCCCO)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F 1 3.929 1 4 -1.33298678703579 24746721 CC(=O)N1C=C(C2=CC=CC=C21)[C@H]3C[C@H](OC(=C3)C(=O)N4CCN(CC4)C)OCC5=CC=C(C=C5)CO 1 2.725 3 5 0 0.191758391418518 24746720 C#CCNC(=O)C1=C[C@@H](C[C@@H](O1)OCC2=CC=C(C=C2)CO)C3=CC=C(C=C3)C#C 1 4.598 1 4 -1.19890830225151 24746719 CN1CCN(CC1)C(=O)C2=C[C@@H](C[C@@H](O2)OCCCCO)C3=CC4=C(C=C3)OCO4 1 1.334 2 6 0 -3.93872517740766 24746718 C1[C@@H](C=C(O[C@@H]1OCCCCO)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F 1 3.922 1 4 2.34992522203719 24746717 CC(C)(C)[C@@H]1C[C@@H](OC(=C1)C(=O)NC2=CC=CC=C2)OCCCCO 1 2.861 1 4 -4.55456015106094 24746716 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24687881 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3NCCO 1 3.387 2 4 -12.4597720956346 24687880 CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 3.553 3 5 0 -26.4461708748297 24687879 CCOC1=CC=C(C=C1)C(=O)NNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)C 1 1.961 3 4 0 -11.4084117601389 24687878 C1COCCN1C(CNC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C5=CC=CS5 1 4.702 4 2 -1.91037128829214 24687877 CN(C1CCCCC1)C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 2.099 3 6 0 -19.3593920832932 24687876 CSC1=CC(=C(C=C1)Cl)C(=O)NNC(=O)C2=CSC(=N2)N3CCOCC3 1 1.733 4 3 0 -5.00654850228344 24687875 COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC=CC=C2NCCO)OC 1 1.886 2 6 0 -16.8159303152051 24687873 CC1=CC(=C(C=C1)NC(=O)COC(=O)CCN2C(=CSC2=O)C)[N+](=O)[O-] 1 1.488 3 6 0 -16.5228301961073 24687871 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl 1 2.756 4 5 0 -6.97093503767454 24687870 CC1=CC=C(C=C1)C(=O)NCC(=O)OCCCOC(=O)CNC(=O)C2=CC=C(C=C2)C 1 2.343 2 6 0 -10.661492669162 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CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)COC3=CC4=CC=CC=C4C=C3 1 2.895 4 6 0 -10.5622763751324 24687832 C1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(S2)[N+](=O)[O-])N3C=NC=N3 1 2.793 5 3 0 -3.89903649080747 24687831 C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)NCCC4=CC=C(C=C4)F 1 3.532 3 2 -24.1791498550769 24687830 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4(CCCC4)NC3=O 1 0.35 4 6 0 -22.5013881657773 24687828 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)C3=C(C=C(C=C3)OC)OC 1 0.83 4 7 0 -21.1821053491651 24687827 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)NCC(=O)NC3=CC(=C(C=C3)F)F 1 1.3 4 3 0 -17.4174452799022 24687826 CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.895 2 5 0 -8.50153944863904 24687825 CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 1.73 3 5 0 -21.6369112839476 24687820 CSCCC(C(=O)OC1CCCCC1=O)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3 2 6 0 -19.8050609924837 24687819 CC1=CC=C(C=C1)OCCNC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2 1 2.863 2 4 -19.1188333519798 24687818 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C2CC3CCCC(C2)C3=O 1 2.226 1 6 0 -9.56377574283409 24687815 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 1.305 4 5 0 -11.0246215877768 24687814 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.28 4 5 0 -23.8773656964475 24687813 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CC2=CC=CS2)N 1 1.422 3 5 0 -19.5257539179481 24687812 C1CC(OC1)CNC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 1.391 2 6 0 -19.3283004588432 24687811 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2CC(=O)N(C2)CC3=CC=CO3)N 1 0.65 5 5 0 -17.1840972860942 24687810 CC1=CC=C(O1)CN(C)C(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 2.539 3 3 -21.8054135454805 24687809 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)OCC 1 4.672 4 4 0 -8.49920575893138 24687808 CC(C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)CN2C(=O)C3CC=CCC3C2=O 1 2.132 2 5 0 -10.315900784249 24687806 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C 1 2.373 5 7 0 -17.3616091163795 24687805 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)N(CC3=NN=C(O3)C4=CC=C(C=C4)Cl)C5CC5 1 3.055 4 3 0 -11.8954798914426 24687804 CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=COCCO2)C)C 1 2.797 0 5 -5.87701250160154 24687803 CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-] 1 1.379 4 7 0 -26.4581080802104 24687802 CN(CCOC1=CC=CC=C1)C(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 3.26 3 3 -22.1215025644904 24687801 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NNC(=O)C3=CC=C(C=C3)Br 1 2.224 3 4 0 -11.0430728146535 24687800 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C23CC4CC(C2)CC(C4)(C3)Cl 1 3.407 2 3 -6.66432687441459 24687798 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3)OCC 1 3.065 3 6 0 -28.1455917807189 24687797 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)N(C)CC3=C(C=C(C=C3)OC)OC 1 3.974 2 5 0 -8.98133031212208 24687796 COC1=C(C=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2)Br 1 2.684 1 6 0 -17.2332168016426 24687795 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC3=CC=CC=C3C 1 2.921 3 3 -13.8753762578142 24687793 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)C 1 1.617 4 5 0 -19.7148922780316 24687791 CCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3OC 1 1.429 5 4 0 -33.1652406930567 24687790 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3OC 1 1.749 5 4 0 -33.5542364963965 24687786 CC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)N3CCOCC3 1 2.501 4 2 -6.09210235731941 24687785 CC1=CC=CC(=C1)C2=NN=C(O2)SC(C)C(=O)N3CCOCC3 1 2.136 3 3 -6.84910894420785 24687784 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=NC4=CC=CC=C4C=C3 1 1.911 5 6 0 -7.35734372948438 24687783 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=CC=C3OC4=CC=CC=C4 1 2.389 4 7 0 -10.4274128597391 24687782 CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC=CC=C2C)S(=O)(=O)N3CCCCCC3 1 3.137 3 4 0 -26.3002104311229 24687781 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)N 1 2.281 5 4 0 -10.7403630400377 24687780 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC=CC=C3NCCO 1 2.383 3 5 0 -8.06524452146939 24687779 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 1.894 4 8 0 -1.73455544814319 24687778 CC1=CN=C(C=C1)NC(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32 1 2.492 3 2 -12.4210950858299 24687777 CCN1C2=CC=CC=C2N=C1SCC(=O)NC(=O)C3=CC=CC=C3OC 1 3.475 3 3 -13.1847044415612 24687776 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CN2C(=O)C3=CC=CC=C3C2=O)N 1 -0.249 5 6 0 -11.2125890864131 24687775 COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)S(=O)(=O)C5=CC=CS5 1 3.686 4 3 0 -9.80669710781963 24687774 CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4 1 2.495 6 3 0 -10.1127638093791 24687770 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=C(C=C4)OC 1 2.991 3 6 0 -24.9795785741461 24687769 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CNC(=O)C3=CC4=CC=CC=C4C=C3 1 0.928 5 6 0 -13.9823872862808 24687768 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 2.444 3 3 -11.4922726587684 24687767 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=CC=CO3 1 0.692 4 7 0 -9.69760609837999 24687765 CC1=CSC(=O)N1CCC(=O)OCC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 0.937 5 6 0 -17.4140845253868 24687764 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)COC3=CC4=C(CCC4)C=C3 1 3.044 4 6 0 -15.1661158173476 24687763 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NC(=O)C2=CC=CC=C2OC 1 3.233 1 6 0 -10.9020465568857 24687762 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=C5O 1 4.305 3 3 -5.13806237625387e-002 24687761 COC1=CC=C(C=C1)CCNC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 3.31 3 3 -25.3039930896863 24687759 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CSC2=CC(=C(C=C2)C)C 1 2.173 1 5 -19.6640251228196 24687758 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 1.375 5 7 0 -14.3582101179161 24687756 CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CN=C(C=N2)C 1 2.167 2 4 -12.132979131232 24687755 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC(C)C3=CC=CC=C3 1 3.771 1 5 -3.28462791683758 24687754 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 3.614 3 3 -5.36085439935329 24687753 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4 1 5.589 4 2 -8.81665199808189 24687752 CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)CCCOC2=CC=C(C=C2)OC 1 2.934 1 6 0 -15.2307764204268 24687751 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)C)NC(=O)CSCC2=C(ON=C2C)C 1 1.874 4 4 0 -30.5459315829227 24687750 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CC3=C(C=CC=C3Cl)Cl 1 2.323 4 5 0 -11.4455656662786 24687746 CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.27 4 7 0 -14.2993245345648 24687745 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl 1 1.449 4 7 0 -12.477325843978 24687744 CC1=CC(=C(C=C1)Cl)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 3.028 3 5 0 -19.2177124424464 24687743 CC1=C(C=CC(=C1)NC(=O)COC(=O)CN2C(=CSC2=O)C)Br 1 2.094 2 4 -11.0810740279004 24687740 CC1=C(C=CC(=C1)OCC(=O)OCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)Cl 1 1.815 4 7 0 -11.3174728010731 24687739 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 1.264 4 8 0 -13.0475023110149 24687738 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=CC=C(C=C3)F 1 1.633 4 5 0 -7.2253459526011 24687735 CC1=CC=CC=C1OCCC(=O)OCC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.529 4 6 0 -11.3002720127877 24687732 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=CC4=C(C=C3)OCO4 1 1.196 4 7 0 -9.6039965999791 24687727 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F 1 3.817 3 2 -1.54701932248525 24687726 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 1.969 4 5 0 -20.2930902625531 24687725 CC1=CC(=NO1)C(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 2.515 3 3 -15.5084028324319 24687724 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)COC(=O)COC2=C(C=C(C=C2C)C)C 1 3.784 4 6 0 -14.9858561305901 24687723 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)COC(=O)COC2=C(C=C(C(=C2)C)Cl)C(C)C)N 1 2.754 4 7 0 -9.30942367411012 24687722 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CN3C4=CC=CC=C4OC3=O 1 1.4 5 7 0 -10.5857672649227 24687721 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 2.347 4 6 0 -8.77884053331101 24687720 CC1=CC=CC=C1OCCC(=O)OCC(=O)NC2CCS(=O)(=O)C2 1 0.822 1 6 0 -17.7778142896065 24687719 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 3.772 3 4 0 -16.3357793343559 24687718 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 3.234 3 6 0 -20.3464120537543 24687716 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC4=C(C=C3)OCCO4 1 0.615 4 8 0 -16.1798701557425 24687714 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=C(C4=C(O3)C=CC(=C4)OC)C 1 2.677 2 8 0 -15.5250485235167 24687713 CC1=NC(=C(S1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C4=CC=C(C=C4)F 1 3.228 3 3 -16.0990031327305 24687712 CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)CN2C(=CSC2=O)C 1 2.295 1 5 -10.1921448296874 24687711 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSCC2=CC=CC(=C2)C)N 1 3.076 4 3 0 -13.8678896000495 24687710 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.72 2 6 0 -1.13007752781756 24687709 CC1CCN(CC1)C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 1.41 3 6 0 -21.9693637361629 24687708 CC1=NC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4 1 1.723 3 5 0 -13.3489743316896 24687707 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CN=C(C=C3)Cl 1 0.552 5 6 0 -14.3376607647141 24687706 CCOC1=CC=CC=C1OCC(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C 1 3.548 1 5 -9.32206945833766 24687705 COC1=CC(=CC(=C1)NC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4)OC 1 0.769 3 7 0 -30.5253349193935 24687704 CC1=CSC(=O)N1CC(=O)OCC(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 2.195 2 4 -13.8013310179686 24687703 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=C(C(=C(N3)C)C(=O)OC)C 1 1.704 5 7 0 -17.9165383962294 24687702 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24687509 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 1.623 3 5 0 -16.1023377432886 24687508 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC=CC=C2 1 2.891 1 4 -9.1671838309046 24687507 CC1CCC(CC1)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 2.159 2 3 -17.126264653695 24687506 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl)C 1 3.073 2 7 0 -20.4377647074323 24687504 CC1CCCC(N1C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)C)C 1 3.704 1 4 -4.30719108194385 24687503 CCOC1=C(C=C(C=C1)CCNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)OCC 1 3.367 2 5 0 -20.078417873422 24687502 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=C(ON=C2CC)C 1 1.419 5 4 0 -17.8246831802408 24687501 CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 3.552 2 4 -15.052948002964 24687500 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)N 1 -0.123 5 7 0 -24.233601570678 24687499 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 1.832 3 6 0 -27.9665431195277 24687498 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5 0 -14.989225407598 24687478 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)N 1 1.939 5 5 0 -8.16472164526233 24687477 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)N 1 2.395 5 5 0 -8.07636952427253 24687476 CC1=CC=C(C=C1)OCCC(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl 1 3.428 2 4 -6.59979354923918 24687475 CCC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C 1 1.622 3 4 0 -21.9148566938797 24687474 CC(=O)C1=CC=C(C=C1)OCCCC(=O)N(CCC2=CCCCC2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 3.725 4 5 0 -14.6269255710538 24687473 CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC(C)C)N 1 1.816 7 4 0 -12.9511979585072 24687472 CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC(C3=CC=CS3)N4CCOCC4)C5=CC=CC=C5 1 4.983 4 2 0.232972502674967 24687471 CN(CC1=CC=C(C=C1)F)C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3 1 1.86 2 4 0 -13.581544660349 24687470 CC1=CC(=CC=C1)NC(=O)CSCC(=O)N(CCC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 2.773 5 4 0 -14.0562484833619 24687469 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CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)COC2=C(C=C(C=C2)Cl)Br 1 4.148 2 3 -12.98939245123 24687290 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)COC2=CC=C(C=C2)C(=O)C 1 0.909 2 7 0 -24.3432943943492 24687288 CC1=C(C=CC(=C1)C(=O)OCC(=O)NNC(=O)C2=CC=CS2)[N+](=O)[O-] 1 1.912 3 6 0 -19.5277693192804 24687287 CN(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.683 3 5 0 -22.4628118065664 24687281 CC12CCC(=O)N1C(CS2)C(=O)NCCN3C(=O)/C(=C/C4=CC=C(C=C4)OC)/SC3=O 1 1.293 3 5 0 -12.1049485314437 24687280 CC12CCC(=O)N1C(CS2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4 1 1.409 3 4 0 -19.4681098596137 24687279 CC(=O)NCCC(=O)NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.377 4 6 0 -20.5978591441722 24687278 CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC(C3=CC=CO3)N(C)C)C4=CC=CC=C4 1 4.696 3 2 -4.81645505213937 24687277 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCC3=CCCCC3 1 4.064 2 3 -23.4856645026871 24687276 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)N 1 1.239 5 5 0 -12.5904559700618 24687275 C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NCC3=CC=NC=C3)Cl)Cl 1 1.604 3 4 0 -18.2901878404595 24687274 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)CCOC3=CC=C(C=C3)C(C)(C)C 1 4.32 2 7 0 -11.5820628282079 24687273 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCCN2C3=CC=CC=C3OC2=O)N 1 2.327 5 5 0 -11.3407140614362 24687272 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=CC4=CC=CC=C43 1 3.06 4 5 0 -10.5809363254068 24687271 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)N 1 4.528 5 3 0 -8.36748516174194 24687270 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)Cl 1 2.193 5 3 0 -10.2754243376693 24687269 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=N3)C 1 2.775 3 3 -20.9700980385438 24687268 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)N 1 3.206 5 4 0 -7.78696346749312 24687267 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CN=CC=C2 1 0.814 3 4 0 -19.5548666167883 24687266 CCCN1C2=CC=CC=C2N=C1NC(=O)CN3C(=O)C4(CCCCC4)NC3=O 1 2.745 5 3 0 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0 -21.8347311502498 24687255 CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CC2=CNC3=CC=CC=C32 1 3.028 3 5 0 -12.0116576633234 24687254 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C 1 2.668 2 7 0 -25.4982837453982 24687253 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 1.081 4 4 0 -11.9152168190235 24687252 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=C(ON=C2C)C)N 1 1.209 5 4 0 -14.4709083544988 24687251 CCOC1=CC=C(C=C1)OCCC(=O)N(CCCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.6 4 6 0 -12.3525136002559 24687249 CN1C=CSC1=NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.125 3 4 0 -8.74869390810607 24687247 CC12CCC(=O)N1C(CS2)C(=O)OCC(=O)N(C)C3=CC=CC=C3 1 0.832 2 4 0 -9.29738614283736 24687246 CCC(CC)C1=NN=C(S1)NC(=O)C2CSC3(N2C(=O)CC3)C 1 1.695 4 2 0 -13.1955009136445 24687245 CC12CCC(=O)N1C(CS2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4 1 1.711 3 3 0 -3.95413009691682 24687244 CC12CCC(=O)N1C(CS2)C(=O)NC3=CC(=CC=C3)OC 1 0.902 2 3 0 -5.98365840318965 24687243 CC12CCC(=O)N1C(CS2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F 1 0.39 3 3 0 -9.3548898039682 24687238 CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CCNC(=O)C 1 0.955 3 7 0 -27.3312111602795 24687237 C=CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCC2CCCCC2 1 4.002 1 4 -15.6241326015193 24687236 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=COCCO3 1 3.9e-002 4 5 0 -9.89154766367468 24687235 C1CCC(=O)C(C1)OC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.189 2 6 0 -15.8551677231512 24687234 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC(C)(C)N3CCOCC3)F 1 2.626 3 4 0 -11.3488275037289 24687233 C1CCC(CC1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3O 1 2.153 3 3 -4.17909588741149 24687232 CC1CC1C(=O)OCC(=O)NNC(=O)COC2=CC=C(C=C2)Br 1 1.507 2 5 0 -8.58085789862388 24687231 CC1=CSC(=N1)NC(=O)C2=COCCO2 1 -0.192 2 3 0 -6.84301087759962 24687230 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.311 2 4 -9.73934633455133 24687229 CC1CN(C(=NC2=CC=CC(=C2)C)S1)C(=O)CN3C(=O)C4(CCCC4)NC3=O 1 3.288 4 3 0 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CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)COC2=CC=C(C=C2)OCC)N 1 1.035 4 6 0 -10.8187479620191 24687208 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CSC4(N3C(=O)CC4)C)C 1 2.15 3 2 -0.704683907234207 24687207 CC12CCC(=O)N1C(CS2)C(=O)N(CC=C)C3=NC(=CS3)C4=CC=CC=C4 1 2.686 3 2 -7.14712650779949 24687206 CC(C)CC1=NN=C(S1)NC(=O)C2CSC3(N2C(=O)CC3)C 1 1.028 4 2 0 -11.1914424448415 24687205 CC12CCC(=O)N1C(CS2)C(=O)NC3=NN=C(S3)SCC=C 1 1.093 4 2 0 -18.669182191513 24687204 CC12CCC(=O)N1C(CS2)C(=O)NC3=CC(=C(C=C3)F)Cl 1 1.789 2 2 0 -4.02893469728286 24687201 CC1=NN=C(S1)SCC(=O)NNC(=O)C2=CC=CO2 1 0.394 4 3 0 -19.4451567024443 24687200 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC(=CN3N)C4=CC=CC=C4 1 1.399 7 4 0 -10.8253730544197 24687199 CC1=CSC(=O)N1CCC(=O)OCC(=O)NCC2=CC=C(C=C2)F 1 1.32 2 4 0 -17.5162965247477 24687198 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NCC3=CC=CO3 1 0.979 2 7 0 -29.8669044012933 24687197 C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl 1 3.324 5 3 0 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3.275 7 3 0 -11.7805183500317 24687183 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(S2)Br)N 1 1.388 4 4 0 -8.40038367048673 24687182 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCC(=O)OCC2=C(C=C(C=C2)Cl)Cl)N 1 3.372 4 5 0 -15.4925779905436 24687181 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 2.016 4 6 0 -10.5459959548723 24687180 CN1C=CSC1=NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 1.572 3 5 0 -14.950671157717 24687174 C1=CC=C(C=C1)C2=C(SC=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 2.798 2 3 -10.7479074018508 24687173 CC12CCC(=O)N1C(CS2)C(=O)NCCC3=CC=C(C=C3)F 1 1.452 2 2 0 -8.62731177558773 24687172 CCC1=C(SC(=C1)C(=O)N2CCCC3=CC=CC=C32)C 1 4.392 1 1 -7.08730721930723 24687171 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CCCC2=CC=CS2)N 1 1.346 4 4 0 -15.2148874240855 24687170 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CN2C3=CC=CC=C3OC2=O)N 1 0.435 5 6 0 -9.06097374995219 24687169 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)N 1 0.901 5 6 0 -23.7535434405665 24687168 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])N 1 1.155 5 6 0 -12.7494243144207 24687167 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CN2C3=CC=CC=C3N=CC2=O 1 2.154 4 3 0 -16.1416206994157 24687166 CC(C)C1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3CCCO3)C4=CC=CC=C4 1 4.764 3 2 -1.85729683210812 24687165 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)N 1 1.839 5 5 0 -18.8409647112299 24687164 CC1=C(SC2=C1C(=NC=N2)SCC(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC)C 1 2.71 4 3 0 -18.0642370454191 24687163 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC=CC(=C3)C 1 2.775 3 3 -19.9741285369523 24687162 CC1=CC(=NC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 2.963 3 4 0 -18.1546335987054 24687160 CC(C)(CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl)N4CCOCC4 1 3.992 3 2 -8.84165036180792 24687159 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)N 1 1.153 5 6 0 -26.4890354688884 24687158 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=N3 1 2.493 3 3 -17.8653363882814 24687157 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CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=C(S2)Br)N 1 2.711 4 3 0 -8.98090536473555 24686908 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC(=C(S2)C)CC 1 3.231 4 3 0 -10.5614806670246 24686907 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N(C)CC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F 1 4.007 3 4 0 -22.6123481653783 24686906 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3 1 1.48 5 6 0 -27.7094501049497 24686905 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC(OC(C3)C)C 1 1.749 5 6 0 -28.8271324280203 24686904 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)N 1 1.2 5 6 0 -24.8141232649268 24686903 COC1=C(C=C(C=C1)C(=O)NCC(=O)OCCCOC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC)OC 1 1.305 2 10 0 -15.5614200701333 24686902 CC1=CC=CC=C1OC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 2.571 1 6 0 -19.0331945472189 24686901 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.604 5 6 0 -12.2290574747439 24686900 C1CC(=O)N(C1)C(=O)COC(=O)C2=NC(=C(C(=C2Cl)Cl)Cl)Cl 1 3.135 2 4 -12.9325639927227 24686896 CCCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC=CO2 1 3.763 1 5 -13.2718358779699 24686895 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-] 1 0.704 5 7 0 -28.9037228117991 24686894 COCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5 1 2.713 5 5 0 -8.57373521896762 24686893 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=C(C=CC=N3)C 1 2.254 3 2 -7.81353509415584 24686892 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=CC=C2)N3C=CC=C3 1 2.747 5 3 0 -10.3539115616244 24686890 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=N3)O 1 2.803 3 4 0 -11.0046632288568 24686889 CC1=CC(=NC=C1)NC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 4.074 3 2 -11.3623953010618 24686888 CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C 1 2.224 2 7 0 -1.08191705122723e-002 24686886 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=C5O)OC 1 4.731 3 4 0 -3.61310337259102 24686884 CCC1=NOC(=C1C(=O)N(CC)CC(=O)NC2=CC=CC=C2C(F)(F)F)C 1 2.72 3 3 -19.4258552128331 24686883 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC=C(S2)[N+](=O)[O-])N 1 2.551 5 5 0 -7.96457167763074 24686875 CC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3 1 3.372 4 2 -15.9129068462247 24686874 CC1=C(N=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3 1 3.644 3 3 -17.1935865590477 24686872 CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C 1 3.338 4 2 -0.602663133022741 24686871 CC(C(=O)NC1CC1)OC(=O)CCOC2=CC=CC=C2 1 1.802 1 4 0 -12.1698412633422 24686870 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCCSC3=NC4=CC=CC=C4N3 1 3.601 6 3 0 -14.0077539548877 24686869 CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.683 2 5 0 -9.93265154260173 24686868 CC(C(=O)NCC1=CC=CC=C1)OC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.484 2 5 0 -14.5115126026449 24686867 CC1=CN=C(C=C1)NC(=O)C(C)SCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 3.475 4 2 -21.8113214103378 24686866 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)CCNC(=O)C3=CC=CC=C3OC 1 1.021 4 5 0 -20.8385089568715 24686865 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CC2=C(C3=CC=CC=C3N=C2C)C)OCC 1 3.535 3 4 0 -14.4799578755634 24686863 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.615 2 7 0 -23.0156926777701 24686862 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CC2CCCCC2 1 2.633 2 4 -14.7915474350063 24686861 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC(=CC(=C2)OC)OC 1 2.858 1 6 0 -12.3166411128375 24686860 CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCC3)OC4=CC=C(C=C4)F 1 2.567 3 5 0 -21.1899051682969 24686859 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.625 2 7 0 -14.8872156706477 24686854 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)N4CCC(CC4)C(=O)N 1 1.169 5 5 0 -20.366314467142 24686853 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 1.863 4 4 0 -24.621428109088 24686852 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCCN3C=CN=C3)[N+](=O)[O-] 1 1.224 5 5 0 -10.8909041014035 24686851 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4 1 3.828 3 5 0 -25.2972079983595 24686850 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 1.073 4 6 0 -18.322276991797 24686849 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)C2=C(N(C(=C2)C)CC3CCCO3)C 1 3.132 1 6 0 -24.2181852685564 24686848 CC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)NC2CCCCCCC2 1 3.061 2 4 -16.549569044008 24686847 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)N 1 2.434 4 5 0 -10.72634518973 24686846 C1CN(CCN1C2=CC=CC=C2O)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br 1 5.512 3 2 0.441350244451094 24686845 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N 1 0.246 5 5 0 -21.5893724115856 24686844 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.255 2 6 0 -20.9104498059209 24686843 CC(C(=O)NC1=CC=CC=C1F)OC(=O)CC2=CNC3=CC=CC=C32 1 3.339 2 3 -10.5381077552527 24686842 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CN=C(C=C2)Cl 1 3.634 1 3 -7.40080049609628 24686841 C1=CC(=C(C=C1Cl)C(F)(F)F)NC(=O)CSC2=NN=CS2 1 3.088 3 1 -11.1463426262596 24686840 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=C(ON=C2C)C)N 1 1.461 5 4 0 -15.8023050333223 24686839 CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N(C)CC(=O)NC4=CC=CC=C4C(F)(F)F 1 4.751 3 2 -7.90558227128343 24686838 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 2.015 4 4 0 -21.7073476467544 24686830 C1CCN(CC1)C2=CC=CC=C2NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 2.233 4 3 0 -7.94407255774783 24686829 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CCNC(=O)C2=CC=C(C=C2)Cl)N 1 0.839 5 5 0 -15.0390885426935 24686828 CC(C)CC1=NN=C(S1)NC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.263 5 3 0 -11.7264910396452 24686827 CC(C(=O)NNC(=O)CCN1CCN(CC1)C2=CC=CC=C2)OC3=CC=C(C=C3)Br 1 3.158 4 3 0 -4.63592335041226 24686826 COC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4(CCCC4)NC3=O)OC 1 2.065 4 5 0 -5.53616538147973 24686824 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 2.291 3 3 -9.75678350960058 24686823 CN(CC1=C(C=C(C=C1)Cl)Cl)C(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.695 3 3 -6.25944013215391 24686822 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 1.691 5 3 0 -21.903611705176 24686820 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OC(C)C(=O)N(C)C3=CC=CC=C3 1 4.076 1 5 3.41198780277702 24686819 CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.928 2 5 0 -17.8277107052959 24686818 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=C(C=C(C=C3)C#N)OC 1 2.198 3 5 0 -24.4297901907184 24686817 COC1=CC(=C(C=C1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)OC 1 1.177 2 7 0 -5.32330677014821 24686809 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NCCCSC3=CC=CC=C3 1 3.055 2 2 -17.3080384732041 24686808 CC1CC1C(=O)N(CCC2=CCCCC2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 2.925 4 3 0 -9.17462807798423 24686807 C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)F 1 2.594 3 3 -7.92093442317089 24686806 CC(C)N(CC1=NN=C(O1)C2=CC=C(C=C2)Cl)C(=O)C3=COCCO3 1 1.624 3 4 0 -7.12387989674439 24686805 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6 0 -21.891443117258 24686794 C1CN(CCN1C(=O)CCNC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC(=C3)F 1 2.09 3 4 0 -24.09854176224 24686793 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC3=C(C=CC=C3Cl)Cl 1 3.53 1 4 -14.2429089031205 24686791 C1COC(=CO1)C(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 1 2.753 1 4 -3.2824151061533 24686790 C1COCCN1C(CNC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F 1 4.853 3 2 -12.5866406862027 24686789 CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.695 3 3 -7.68606469855271 24686788 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC3=C(S2)CCCCC3 1 3.982 4 3 0 -14.2486139369031 24686786 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=NN(C(=O)CC2)C3=C(C=CC(=C3)C)C)N 1 3.025 6 4 0 -17.1301400377971 24686785 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C(C)OC2=CC=C(C=C2)Br 1 3.258 4 4 0 -11.4791868647553 24686784 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.036 4 4 0 -13.5401186208762 24686783 CN(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.748 4 4 0 -11.7316652772724 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C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)CNC(=O)C3=CC=CC=C3F 1 1.427 4 5 0 -13.9765247868757 24686213 CCC1=CC=CC=C1NC(=O)CNC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 3.001 4 3 0 -29.6902686067791 24686212 CCCN(CCC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C=CS2)C 1 2.573 3 3 -22.4124241055829 24686211 CCOC1=C(C(=CC(=C1)C(=O)N=C2N(C=CS2)C)Br)OC 1 2.775 2 3 -12.9593357899118 24686207 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OCC 1 2.892 2 7 0 -31.1291283843683 24686206 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.288 3 6 0 -15.7676488633138 24686193 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC=CC=C2C(=O)N(C)C3=CC=CC=C3 1 2.798 3 5 0 -17.1665161545403 24686192 CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=CC=CC=C2OC)S(=O)(=O)N3CCCCC3 1 3.316 2 6 0 -25.4062867421335 24686191 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC(=CC=C2)N(C)C 1 1.496 3 5 0 -21.9991988927041 24686190 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/C#N 1 2.395 4 4 0 -19.1941330571767 24686189 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-21.544373682465 24686177 CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)NCC(C3=CC=C(C=C3)F)N4CCOCC4 1 3.627 2 4 -12.185677511685 24686176 CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C)N 1 1.863 8 4 0 -16.5213200840435 24686175 CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)N3CCCCCC3 1 3.647 3 4 0 -23.833011274928 24686174 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NNC(=N3)C4=CC=C(C=C4)OC 1 2.708 7 4 0 -10.4995866276769 24686173 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CSCC2=CC(=CC=C2)Cl 1 2.991 2 4 -14.8344677893255 24686172 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)C 1 3.869 7 3 0 -10.9380553990086 24686171 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)OC)C 1 4.872 4 3 0 -6.97195100057272 24686170 CN(C1CCCCC1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F 1 4.005 2 5 0 -19.6433848551974 24686169 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)OCC 1 3.243 3 6 0 -27.8798637605038 24686163 CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CS2)C3=CC=CC=C3 1 4.198 2 2 -10.1836668621456 24686161 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=CN=C(C=C3)Cl 1 2.107 3 5 0 -25.9895035659216 24686160 CN1C(=NN=N1)SCC(=O)NC2=NC(=CS2)C3=C(C=C(C=C3)OC)OC 1 1.771 6 3 0 -17.8060011623233 24686159 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)CC2=C(C=CC=C2Cl)F 1 2.697 2 4 -14.8720181618999 24686158 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CNC(=O)C2=CC=CS2 1 0.939 3 5 0 -19.8398078227452 24686157 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3CCC3 1 0.659 2 7 0 -24.2766960143436 24686156 CC(C(=O)NCC1=CC=CC=C1)OC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 0.734 5 5 0 -25.1570184144872 24686155 CC1CN(CC(O1)C)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C 1 0.939 2 5 0 -19.8311418835983 24686154 CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CN=C(C=C3)Cl 1 2.809 2 3 -15.4916645726985 24686153 CC(C(=O)N1CCOCC1)OC(=O)/C=C/C2=CC=C(C=C2)Br 1 2.339 1 4 -10.757671681983 24686152 CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 1.94 2 6 0 -28.8231544632799 24686151 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 3.753 2 5 0 -10.4551523411929 24686150 CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 2.93 4 4 0 -11.1873619255823 24686149 CC1=C(C=CC(=C1)Cl)OCCCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C 1 3.481 2 5 0 -11.1952515472724 24686147 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C 1 2.082 2 5 0 -17.2948552606843 24686146 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CCC2CCCC2 1 2.633 2 4 -14.7219154678111 24686145 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.676 5 4 0 -23.9916198655362 24686144 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.09 2 7 0 -26.6215408191144 24686143 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 1.696 3 7 0 -19.2605605168067 24686142 CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-] 1 1.848 3 7 0 -20.6076879957662 24686140 C1CC1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3 1 2.193 4 1 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CC1=C2C(=CC=C1)SC(=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C 1 3.133 3 2 -4.40815822170443 24685240 CCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC(=C3)C)OC 1 5.206 1 3 -10.3813734593749 24685239 CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C3=C(C(=C(C=C3)OC)OC)OC 1 4.841 1 4 -5.17445459877955 24685238 CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CC3=CC(=C(C=C3)OC)OC 1 4.892 1 3 -8.12420443649877 24685237 CN(CC1=CC(=CC=C1)OC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F 1 5.149 2 2 -2.42927022371271 24685236 CC(=O)NC(CC(=O)N1CCN(CC1)C(=O)C)C2=CC=CC=C2 1 -0.284 3 3 0 -12.987075982309 24685235 CC1=NC(=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4OC 1 4.546 3 4 0 -17.5010765611208 24685234 CC(C)OCCCNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O 1 2.372 1 5 -11.3617562878952 24684697 CC1=CC(=NC(=N1)SCC(=O)OC(C)C(=O)NC2=CC=CC=C2)C 1 2.506 3 3 -16.0026221401598 24684692 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)CC(C3=CC=CC=C3)NC(=O)C 1 4.146 2 2 -9.01047621153741 24684689 COCCN(CCOC)C(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 0.332 4 6 0 -21.2998619965087 24684688 CN(CC1=C(C=CC(=C1)Br)OC)C(=O)C2=CC=NC=C2 1 2.408 2 2 -4.64496049297718 24684686 CN(CC1=CC=CC=C1OC)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 4.808 2 2 -8.59575000269295 24684685 CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3 1 0.246 2 4 0 -9.34420539606605 24684681 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)CC3=CC(=C(C=C3)OC)OC 1 4.892 1 3 -7.68098046496487 24684680 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2=CC=NC=C2 1 1.478 3 2 0 -10.4376021803768 24684677 CN(CC1=CC(=CC=C1)OC)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-] 1 3.328 3 4 0 -5.80891051141655 24684670 C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=NC=C3)O 1 2.13 2 2 1.08063312988781 24684668 CN(CC1=CC=CC=C1F)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC 1 5.133 2 3 -5.79384834737565 24684667 COC1=CC=CC=C1C(=O)NCCC(=O)NCCC2=CC=CC=C2 1 2.234 2 3 -18.1685001896815 24684666 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 2.964 1 3 -11.9789105847471 24684665 CN(CC1=CC=CC=C1F)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 5.03 2 1 -6.03767517532971 24684659 CC(=O)NC1=CC(=CC=C1)NC(=O)CCCC2CCCCC2 1 3.355 2 2 -10.0645355568229 24684654 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=C(C(=C(C=C3)OC)OC)OC 1 2.619 3 4 0 -8.2640771192208 24684653 C1CC1N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C(=O)COC4=C(C=C(C=C4)F)Cl 1 4.179 3 3 -6.79152907152509 24684652 CC1=NC(=C(C=C1)OC(C)C(=O)N(C)CC2=CC=CC=C2)[N+](=O)[O-] 1 2.712 3 4 0 -7.77710395330085 24684648 CCC1=C(SC(=C1)C(=O)NCC2CCCO2)C 1 2.438 1 2 -11.8223895633449 24684647 CN(CC1=C(C=C(C=C1)OC)OC)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 4.792 2 3 -7.07176852199045 24684645 COC1=CC=CC=C1C(=O)NCCC(=O)NCCC23CC4CC(C2)CC(C4)C3 1 3.125 2 3 -14.5122531779037 24684644 C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3[N+](=O)[O-] 1 4.626 2 3 -9.92773350250979 24684643 C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)C3=CC=CS3 1 3.821 3 1 -4.69252326173677 24684627 CCCNC(=O)C1=CC=CC=C1SCC2=C(ON=C2C)C 1 2.918 2 2 -21.700447577411 24684626 C1CC1(C2=CC=CC=C2)C(=O)NCCC3=CC=C(C=C3)Cl 1 4.149 1 1 -7.47709272350789 24684623 CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC=C(C=C2)N(C)C 1 1.633 4 6 0 -14.9583298512158 24684618 C1=CC(=CC=C1SCCNC(=O)C2=CC3=C(C=C2)N=CN3)Br 1 3.492 3 1 -7.37427900868182 24684617 CC1=C(C(=O)N(N=C1C)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C#N 1 0.409 4 5 0 -14.3734752675286 24684613 CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NNC(=N2)N)OCC 1 2.077 5 3 0 -16.6410176160132 24684612 CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)NC4=CC=C(C=C4)C(=O)N(C)C 1 3.957 3 2 -7.9610959056454 24684595 CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CC(C3=CC=CC=C3)NC(=O)C 1 4.146 2 2 -9.31386227884967 24684589 C1CC(CN(C1)C(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl)C(F)(F)F 1 4.216 2 2 -12.5746759386022 24684588 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCCC3=CC=C(C=C3)Cl 1 4.261 3 1 -5.02939265427938 24684587 COC(=O)C1=CC=C(C=C1)CNC(=O)C2=C(C=CS2)C3=CC=CC=C3 1 3.948 1 3 -8.162688133383 24684580 C1CSC2=CC=CC=C2C1NC(=S)NCC3=CC=CC=C3 1 4.276 2 0 -10.5623131458439 24684550 CC12CCC(=O)N1C(CS2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 -4.8e-002 3 4 0 -15.0095848348929 24684544 C1CC(=O)N(C1)CCCNC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 1.116 3 4 0 -21.2428769086753 24684532 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 2.129 3 5 0 -11.0519207198268 24684525 CCCN(CC1=NN=C(O1)C2=CC=CC=C2Cl)C(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4 1 3.147 4 5 0 -25.398905777852 24684505 C1CSC2=CC=CC=C2C1NC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-] 1 2.22 3 3 -9.84771501505728 24684504 CCCN(CC1=NN=C(O1)C2=CC=CC=C2Cl)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.661 4 5 0 -26.5495300631258 24684491 CC1=C(N=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 0.62 4 4 0 -13.3673514008409 24683844 CC(C)N(CCNC(=O)COC1=CC2=C(C=C1)OC3=C2CCCC3)C(C)C 1 4.151 2 3 -10.1358689247442 24683842 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-] 1 2.725 5 3 0 -11.7529479569437 24683819 COC1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 3.986 2 2 -9.16125844221074 24683818 CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 5.264 1 2 -6.50034203967283 24683760 C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CCCCC(=O)O)OCC4=CC=CC=C4 1 6.688 1 5 -17.7939369396913 24683750 CC(C)C1=CC=C(C=C1)CCNC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 4.193 2 2 -14.2459692392742 24683743 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC(=C(C(=C3F)F)F)F 1 3.49 3 1 -5.76125804026672 24683721 CN(C1=CC=CC=C1)C(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 4.405 2 2 -11.1236944241111 24683711 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)NCCC3=CC(=C(C=C3)OCC)OCC 1 2.804 3 6 0 -31.481338288792 24683703 CCOC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OCC 1 3.682 2 5 0 -24.5688414689873 24683700 CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C43)OC 1 2.204 3 6 0 -22.9585894857537 24683602 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NC(C)CCC2=CC=CC=C2)OCC 1 3.501 2 4 -20.7984569622177 24683598 COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=C(C=C(C=C2)SC)OC 1 2.359 2 8 0 -9.81201954899973 24683591 COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCCCOC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC 1 0.629 2 10 0 -12.3481058591863 24683589 CCC(CC)NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 2.162 4 4 0 -21.1111026662958 24683585 C1=CC(=CC(=C1)Br)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC(=CC=C2)Br 1 2.805 2 6 0 -12.6437980284291 24683583 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3C4=CC=CC=C4C(=O)O3 1 2.826 2 6 0 -23.7780336880087 24682129 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=C(C=C3)N=CN4 1 3.331 4 1 3.06586308366559 24682128 CC(C(=O)N)SC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 2.248 3 5 0 -5.35878932075762 24682054 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC=C(C=C3)CSC 1 3.217 3 1 -12.1253607964815 24682053 CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)C 1 4.753 3 4 0 -7.17120656125338 24680412 C1CC2=CC=CC=C2C3(C1)C(=O)N(C(=O)N3)CC(=O)NCC4=C(C=C(C=C4)Cl)Cl 1 3.686 3 3 -8.29963834802416 24680409 CCOC1=C(C=C(C=C1)CCNC(=O)CCNC(=O)C2=CC=C(C=C2)Br)OCC 1 3.663 2 4 -20.2018192049105 24678020 COC1=CC=CC(=C1)/C=C/C(=O)NCC2CCCCC2 1 3.678 1 2 -6.13283747801666 24677799 C1CCC(CC1)CNC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.893 1 2 -2.09877949404951 24677798 CCOC1=CC=C(C=C1)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC=C(C=C2)OCC 1 1.973 2 8 0 -13.4051898848202 24677797 CC1=CC(=C(C=C1)OC(=O)CC2=CC(=C(C=C2)OC)OC)Br 1 4.498 0 4 -7.90210692449038 24677785 CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C 1 1.8 4 4 0 -26.0911566452322 24677783 COC1=CC=CC(=C1OC)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=C(C(=CC=C2)OC)OC 1 1.243 2 10 0 -15.1177666707159 24677777 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.457 5 5 0 -10.2803573708291 24677768 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C 1 2.172 3 4 0 -10.051281797973 24677766 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C(C)C 1 3.117 2 3 -12.6904196539969 24677765 C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CCC(=O)O)OCC4=CC=CC=C4 1 5.911 1 5 -18.408136131048 24677761 CCC1(C(=O)N(C(=O)N1)CC(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl)CC 1 1.769 4 5 0 -9.17496805549604 24677743 CC1=NN(C(=C1C(=O)NCCC2=CC=C(C=C2)OC)Cl)CC(C)C 1 3.509 3 2 -10.686956334517 24677736 CC1=CC(=CC(=C1)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC(=CC(=C2)C)C)C 1 3.253 2 6 0 -13.1368243853825 24677734 COC1=C(C=C(C=C1)Cl)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=C(C=CC(=C2)Cl)OC 1 2.605 2 8 0 -11.4542610382757 24677733 CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.626 3 5 0 -19.9053415543226 24677730 CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.13 3 7 0 -12.7623723075368 24677728 CCC1=CC=C(C=C1)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC=C(C=C2)CC 1 3.193 2 6 0 -12.5364816083822 24677714 COC1=CC=CC(=C1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3 1 4.198 2 2 -1.55837780663984 24677713 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.65 3 5 0 -16.6886676781311 24677706 CSCCC(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl 1 4.932 3 2 -23.198193681026 24677699 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NC(C)CCC2=CC=CC=C2 1 4.148 2 3 -16.4819676959102 24677698 COC1=CC(=C(C=C1C(=O)OCCCOC(=O)C2=CC(=C(C=C2OC)OC)OC)OC)OC 1 3.153 0 10 0 -9.46824048382652 24677644 C1CSC2=CC=CC=C2C1NC(=S)NC3=CC=C(C=C3)OC(F)F 1 5.352 2 1 -6.18072250028735 24677643 C1=CC(=CC=C1C(=O)OCCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)S(=O)(=O)NCCC#N 1 1.031 4 8 0 -13.4879322507522 24677627 CC(=O)C1=CC(=C(C=C1)OCC(=O)OCCCOC(=O)COC2=C(C=C(C=C2)C(=O)C)OC)OC 1 2.369 0 10 0 -13.24847799142 24677626 COC1=CC(=CC(=C1OC)OC)C(=O)OCCCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.153 0 10 0 -8.38586827212922 24677546 CC(COC)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O 1 1.961 1 5 0 -10.8073998307736 24677544 CCN(CC)C(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 1.292 4 4 0 -20.6006154542355 24677543 CCCCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 1.717 4 4 0 -21.851373598097 24677542 CCCCCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 2.173 4 4 0 -22.0475642413315 24677541 CCC(C)NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 1.638 4 4 0 -24.7531494171981 24677540 COCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.558 2 2 -9.18674832309879 24677539 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCCCOC(=O)C2=CC(=CC=C2)S(=O)(=O)NC 1 1.074 2 8 0 -14.2540564883127 24677423 COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OCC3=CC=CC=C3)CSCC(=O)O 1 5.282 0 5 -9.85188105487689 24677360 CC(C)OC1=CC=C(C=C1)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC=C(C=C2)OC(C)C 1 2.728 2 8 0 -13.8401588131109 24677339 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O 1 2.761 3 6 0 -8.65785382904927 24672767 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)C(=O)NNC(=O)C3=CNC(=O)C=C3 1 0.83 4 5 0 -11.3062577624171 24671768 CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.99 3 4 0 -9.20778464423183 24671767 C1=CC(=CC(=C1)Br)C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.933 3 4 0 -17.7413149530658 24671762 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 3.557 3 3 -8.64263384136261 24671758 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC=C(C=C2)N3C=NN=N3 1 0.813 6 4 0 -24.5096617275404 24671753 CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3)C 1 4.089 2 5 0 -15.4502894193389 24671743 CC1=CC2=C(C=C1)N=C(C=C2C(=O)N(C)CC3=C(C(=C(C=C3)OC)OC)OC)C4=CC=CC=C4 1 5.397 2 4 -0.846446485417841 24671741 CCOC1=CC=CC=C1C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC=CC=C2OCC 1 1.973 2 8 0 -13.8965507794525 24671734 CC1=CC(=C(C=C1)OC(=O)CC(C2=CC=CC=C2)NC(=O)C)Br 1 3.752 1 3 -8.54924804366308 24671733 CN(C1=CC=CC=C1)C(=O)CN2C(=O)C(NC2=O)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC 1 3.12 3 5 0 -7.0593544771731 24671732 COC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)C(=O)NCC3=CC(=CC=C3)OC 1 3.38 2 4 -8.17834372859707 24671730 CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)CC2=C(C=CC=C2Cl)F 1 3.29 1 4 -13.619531703797 24671729 CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)CCC(C)C)N 1 2.732 4 4 0 -12.0732535169819 24671722 CCOC(=O)/C=C/C(=O)OCC1=CSC(=N1)CC(=O)NC2=CC=CC=C2C 1 2.805 2 5 0 -10.7529809920288 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-11.6728799501348 24671418 C1=CC(=CC=C1C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)O 1 0.942 3 5 0 -15.3748483818791 24671396 CC1CCC2=C(C1)C=C(S2)C(=O)N(C)CC(=O)NC3=C(C=CC(=C3)Cl)OC 1 4.116 2 3 -8.95689634283141 24671395 COC1=CC=CC(=C1OC)C(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 2.113 3 6 0 -11.8028526128434 24671337 COC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 0.228 4 6 0 -24.9996719678507 24671265 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 3.722 3 3 -10.9308236480103 24670611 CCC1=CC=C(C=C1)NC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 3.941 3 2 -20.5394422119368 24670610 CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 0.737 4 4 0 -19.5345081382567 24663621 COC1=CC=C(C=C1)CCNC(=O)C2(CC2)C3=CC=CC=C3 1 3.469 1 2 -9.71205762323885 24662040 CC1CCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3)C 1 4.129 2 3 -13.1334139482569 24662039 C1CC2=NC3=C(C=CC(=C3)C(=O)NNC(=O)COC4=CC=CC=C4F)C(=O)N2C1 1 1.372 4 4 0 -16.8466461801093 24662037 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N(C)C 1 3.051 3 4 0 -9.20613107979191 24662033 CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 1.389 3 5 0 -16.0887252669492 24662010 COC1=C(C(=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)OC)OC 1 1.135 3 7 0 -18.7304341628253 24661995 CC1=CC(=C(C=C1)NC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)Br 1 4.233 3 2 -21.483073837189 24661797 CC1=CN=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 0.62 4 4 0 -16.3858705967939 24661498 CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 3.2 3 4 0 -7.57623854844914 24661454 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)Br 1 1.933 3 4 0 -17.0017576615001 24661447 C1=CC2=C(C=C1NC(=O)COC(=O)C3=CC(=CC(=C3)Cl)Cl)NC(=O)N2 1 2.513 3 4 0 -15.3334854095794 24661446 COC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC 1 3.156 4 6 0 -5.2797801635059 24661375 COC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)OC 1 1.151 3 6 0 -20.1803625170016 24661317 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)Cl 1 1.849 3 4 0 -17.1619691450713 24661306 COCCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 0.257 4 5 0 -22.5667999014667 24661140 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(N3N)C4=CC=CS4 1 0.807 8 4 0 -19.3781057010949 24661127 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)CNC(=O)C3=CC=CC=C3F)Cl 1 2.934 3 4 0 -15.4396901705037 24656139 CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.645 3 7 0 -21.0811159455313 24654455 CC(C)(C(=O)NC1CCN(CC1)CC2=CC=CC=C2)OC3=CC=C(C=C3)Cl 1 4.028 2 2 -0.425833789101064 24654240 CC1CN(CC(O1)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.638 3 4 0 -21.7683645519306 24654209 C1=CC2=C(C=C1NC(=O)COC(=O)C3=C(C=CC(=C3)Cl)Cl)NC(=O)N2 1 2.513 3 4 0 -15.4187494007758 24653655 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2CCC2 1 1.476 2 4 0 -11.8037781376601 24653487 C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Cl 1 2.141 3 5 0 -25.7571732240963 24653486 CC1=CN=C(C=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 1.84 5 4 0 -18.5685628780486 24653357 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C)(C)N3CCOCC3 1 2.267 3 5 0 -13.106405899008 24652591 CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 1.432 5 4 0 -25.0407471147624 24652541 CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC(C3=CC=CS3)N4CCOCC4 1 2.984 4 2 -16.7283491621931 24650256 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 1.905 6 5 0 -11.2220963006633 24650003 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 1.527 4 6 0 -13.4594974906616 24647317 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.274 2 5 0 -13.7084785734905 24638478 CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)Br)N3CCOCC3 1 2.683 3 4 0 -13.0557529713955 24637661 COC1=CC(=CC(=C1)C(=O)NNC(=O)CNC(=O)C2=CC=C(O2)Br)OC 1 0.861 3 6 0 -17.1704455378611 24637660 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NNC(=O)C2=CC(=CC(=C2)OC)OC)C 1 1.822 3 6 0 -17.1117593906885 24636016 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC 1 2.886 2 6 0 -20.592938172048 24634799 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=C(SC(=C3)C)C 1 2.709 2 4 -18.1307884987143 24624953 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(C3=CC=CC=C3OC)N(C)C)F 1 3.952 3 4 0 -11.0112884263571 24605222 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCC3=CC(=CC=C3)OC)C 1 3.081 1 4 -13.3392789293661 23288286 C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=CC=NC=C2 1 2.701 3 1 -3.80754743662881 23275234 C1=CC(=C(C=C1C(F)(F)F)C2=NC(=NC(=N2)N)N)Cl 1 2.721 5 0 6.66133227143412 23249666 COC1=CC(=CC(=C1)NC(=O)CCC(=O)C2=CC=CS2)OC 1 2.49 1 4 -13.0614616828152 23246309 CCN(CC)CC1=C2C(=C/C(=C/3\NC4=CC=CC=C4N3C)/C(=O)O2)C=CC1=O 1 3.155 3 3 -6.48414561401222 23246308 CN\1C2=CC=CC=C2N/C1=C/3\C=C4C=CC(=O)C(=C4OC3=O)CN(C)C 1 2.457 3 3 -5.06791089649983 24448496 COCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)F)Cl)N 1 1.827 4 5 0 -9.68494053601224 24443258 CC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 3.304 1 6 0 -20.4295677580499 24442352 CCCN(C1CCS(=O)(=O)C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.18 2 7 0 -30.5100763478555 24442038 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCCC4)OC 1 3.25 3 5 0 -16.2050026683973 24423051 C=CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3 1 3.019 5 1 -13.839515908146 24422428 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3)[N+](=O)[O-] 1 1.406 4 7 0 -11.183222196661 24419700 CCN(CC(=O)NCC1=CC=CS1)S(=O)(=O)C2=C(C(=C(C=C2)F)F)F 1 2.295 2 3 -19.342987211567 24417099 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CC(=O)O)OC 1 4.133 1 7 0 -20.5668123287031 24414048 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(C3=CC=CC=C3)N(C)C 1 3.609 3 4 0 -9.58522013198233 24410479 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(C)(C)N3CCOCC3 1 2.267 3 5 0 -13.106405899008 24410476 CC(C)(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2F)N3CCOCC3 1 2.14 3 4 0 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CC(C(=O)NC1=CC=CC=C1N2CCCCC2)OC3=CC=C(C=C3)F 1 4.219 2 2 -7.04852370064408 24366019 CC1=CC(=CC=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C 1 4.365 1 5 -14.9631424398777 24365902 CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)CN2C(=O)C3(CCCC3)NC2=O)C 1 2.936 2 5 0 -7.33626864359012 24365899 CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.636 3 6 0 -19.1461962513831 24364182 C1CN(CCN1C(=O)COC(=O)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.234 2 5 0 -22.0289928014303 24357625 CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)C4CCS(=O)(=O)C4)C 1 3.558 3 4 0 -27.7609846074933 24357272 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CCC2CCCCC2 1 2.675 2 5 0 -17.5568622790658 24357237 CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)CCC2CCCCC2 1 3.709 1 4 -14.457430168347 24355738 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2OC 1 3.13 1 5 -13.1854755055455 24353633 C1=CC=C(C(=C1)CN2C=CSC2=NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)Cl 1 2.846 4 4 0 -19.8963159726757 24353627 CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)C(C)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 4.578 3 5 0 -13.3646661534798 24353619 CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 3.6 3 5 0 -22.453575963799 24353615 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 3.359 3 6 0 -27.4065938219438 24348806 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CCCC2=CNC3=CC=CC=C32 1 2.751 3 5 0 -20.1371613693907 24347061 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)OCC=C 1 2.861 2 5 0 -16.1597449318891 24346016 COC1=CC=CC=C1C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC 1 2.369 1 8 0 -22.299226260726 24336758 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=CC=C3NCCO 1 1.714 4 6 0 -18.3938020853243 24334911 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C 1 0.962 3 7 0 -14.7922723950652 24350883 CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=C(C=CC=C2Cl)F)S(=O)(=O)N3CCOCC3 1 2.517 2 6 0 -23.7182655403646 24350520 CC(C(=O)N1CCOCC1)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 2.655 1 4 -13.5810495961871 24332036 CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)OC 1 3.33 2 6 0 -19.4686773607284 24332021 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)OCC(C)C)OC 1 2.809 1 7 0 -28.9788818853971 24330911 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 1.71 3 5 0 -21.4220269484502 24330903 C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F 1 3.532 2 4 -19.2620078752741 24330885 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 2.974 2 4 -23.311006562126 24330866 CCOC1=CC=CC=C1NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 2.922 2 5 0 -22.6544447565096 24330858 COC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 2.573 2 5 0 -18.574032472206 24330851 CC1=CC=CC=C1NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 3.076 2 4 -20.9652149847016 24330843 CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 3.06 2 5 0 -20.5573029432489 24330842 COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 2.58 2 5 0 -24.8010263831948 24330836 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 2.803 2 4 -21.0537122233978 24326143 CC1CCCC(N1C(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C 1 3.5 2 4 -11.1671096374038 24326117 CCN(C1CCCCC1)C(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.035 2 4 -10.0317790153742 24326073 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.504 2 6 0 -13.0714662649115 24325417 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC3=C(C=C(C=C3Cl)C)C 1 4.071 3 3 -8.96171941162452 24325396 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC=C(C=C2)SC 1 3.922 0 4 -10.4412294967804 24325234 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(N=CC=C2)Cl)C3=CC=C(C=C3)Cl 1 2.1 4 3 0 -5.88870096957937 24281279 CC1CCCCN1CC2=CC(=O)OC3=CC(=CC(=C23)C)C.Cl Cl- 1 4.2 1 2 -6.08107385256539 24281278 CC1CCCCN1CC2=CC(=O)OC3=C2C=CC(=C3)C.Cl Cl- 1 3.714 1 2 -4.68669764873867 24281277 CC1CCN(CC1)CC2=CC(=O)OC3=C2C=C(C=C3)C(C)C.Cl Cl- 1 4.296 1 2 -4.8058826152536 24250317 CC(C)N(CC1=CC=CC=C1)C(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 3.29 3 3 -8.38306041068408 24249184 CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NCC=C 1 2.662 2 2 -23.9439102439213 24249183 CC1CSC(=N1)N(C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)NC(=O)C 1 4.047 3 2 -6.85466123661943 24248830 CN(CC1=CC=CC=C1OC)C(=O)C2=C(C=CS2)C3=CC=CC=C3 1 4.282 1 2 -4.37308878456175 24248495 COC1=CC=CC=C1C(=O)NCCC(=O)N2CCCC(C2)C(F)(F)F 1 1.923 2 3 0 -14.5060242033901 24248347 CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2N3CCCC3 1 4.191 2 1 -8.4493717836651 24248046 CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F 1 3.206 3 3 -12.8041541105625 24247676 C1CCN(C1)C2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)F 1 3.478 2 1 -4.48007160409786 24247415 CCOC1=C(C=C(C=C1)CCNC(=O)C2CSC3(N2C(=O)CC3)C)OCC 1 1.912 2 4 0 -15.0115790700376 24246450 CCCCC1=NN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C 1 2.335 4 2 -13.3434915925867 24246373 C1COCCN1CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F 1 3.203 3 2 -9.01251313747053 24246350 COC1=CC=CC(=C1)CNC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl 1 4.776 2 2 -6.56122243104664 24246267 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CCCC2=CNC3=CC=CC=C32 1 3.88 3 2 -18.1900808783369 24246264 CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32 1 2.781 2 5 0 -13.8759132868645 24246206 COC1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC=N4 1 4.263 3 4 0 -17.4245248762401 24245944 CN(CC1=CC(=CC=C1)OC)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 4.808 2 2 -6.93425084446712 24245943 CC(=O)NCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=CC=C3 1 1.852 3 5 0 -24.5367965187469 24245651 CC1=CC=CC(=C1)C(=O)NCC(=O)NC(C)CCC2=CC=CC=C2 1 3.322 2 2 -14.4857206334067 24245648 CN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 4.792 2 3 -11.1300099071094 24245441 CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCNC(=O)C 1 3.159 3 2 -8.06781316861987 24245200 COC1=CC=CC(=C1)CNC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 4.123 1 2 -5.72939064727585 24245031 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NCC2CCCO2 1 1.769 2 4 0 -19.6585502393527 24245029 C1CSC2=CC=CC=C2C1NC(=O)C3=CC(=CC=C3)Br 1 3.821 1 1 -8.00307337858436 24244950 CC1=CC(=C(C=C1)NC(=O)CCCC2CCCCC2)O 1 4.478 1 2 -4.43976061018414 24244515 CC(CCC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=CC=C2OC 1 2.819 2 3 -17.0250946846305 24244288 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F 1 4.233 2 3 2.55853906738675 24244124 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC3=CC=C(C=C3)F 1 2.888 3 3 -11.425871810931 24243657 CC1=CN=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3 1 3.529 2 3 -6.93343687476705 24243649 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F)O 1 3.402 2 4 -1.53531557186529 24242876 CC1=CC(=C(C=C1)C)OCCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.965 1 4 -13.585190126688 24242605 C1CSC2=CC=CC=C2C1NC(=O)C3=CC=CC=C3Br 1 3.821 1 1 -7.96822436524659 24242474 COC1=C(C=C2CN(CCC2=C1)C(=O)CNC(=O)C3=CC=C(C=C3)OC(F)F)OC 1 2.734 2 5 0 -15.9359458042538 24242464 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=C(C=C2)F)C 1 3.695 1 4 -7.0619668414226 24241823 CSC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=N3 1 3.271 3 1 0.571551667559876 24241691 CN(C)C(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2F)C3=CC=CC=C3 1 3.482 3 3 -10.1563779082149 24241562 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=NC=C3 1 1.933 3 1 0 -4.84435227090349 24241482 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC2=CSC=C2 1 2.501 1 3 -12.1456659025247 24241473 COC1=CC=CC(=C1)CNC(=O)C2=CSC3=C2CCCC3 1 3.65 1 2 -9.0557802006219 24241472 CCN(CC(=C)C)C(=O)CN1C=NC2=C(C1=O)OC3=CC=CC=C32 1 2.229 3 3 -13.4065453668273 24241463 COC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.713 3 2 -2.04653148205408 24241272 CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CC=C3)N(C)C)C 1 4.249 3 3 -8.1198166746097 24241249 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CN2C(=O)C(NC2=O)(C)C3=CC=CC=C3 1 1.998 4 4 0 -18.1578630973603 24241248 CC(=O)NC(CC(=O)NCCC1=CC=CC=C1)C2=CC=CC=C2 1 2.198 2 2 -15.7125142529613 24241166 CC1=CC(=NC=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.461 3 2 -11.9984738631639 24241156 CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCNC(=O)C 1 3.005 3 3 -11.1137577582882 24241085 CC1=CC(=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)O 1 2.592 1 5 -1.63957406543677 24241017 C1CC(CN(C1)C(=O)CCNC(=O)C2=CC=C(C=C2)Br)C(F)(F)F 1 2.688 2 2 -11.8501808514265 24240999 CC(=O)NCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=CC=C3OC 1 1.836 3 6 0 -27.5450165080787 24240841 CC1CN(CC(O1)C)C(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F 1 3.833 1 3 -1.08782618154075 24240787 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(N=CC=C2)SC)OCC 1 2.475 3 4 0 -20.6417322423301 24240781 CC(=O)NC1=CC=C(C=C1)C(=O)NCC(C2=CC=CO2)N(C)C 1 1.197 3 3 0 -10.9977960444234 24240771 CC1=CC=CC=C1OCCC(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 3.7 1 4 -10.6551097123593 24240705 CC1=CN=C(C=C1)NC(=O)CCNC(=O)C2=CC=CC=C2OC 1 1.78 3 3 0 -16.6207900213984 24240623 CCOC1=C(C=C(C=C1)CCNC(=O)C2=NOC(=C2)C)OCC 1 2.635 2 4 -18.9205542931406 24240615 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CN=CC=C2 1 1.496 3 2 0 -14.9823402959605 24240614 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)OC 1 2.63 3 3 -5.4754143065214 24240478 CC(=O)NC(CC(=O)NNC(=O)C1=CC2=CC=CC=C2C=C1O)C3=CC=CC=C3 1 1.793 3 4 0 -9.38972245271676 24240394 CC1=NC(=CC=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3 1 3.326 2 3 -4.36364086233817 24240380 CC(C)C1=CC=C(C=C1)C(C)NCCS(=O)(=O)C2=CC=C(C=C2)Cl 1 4.778 1 2 -1.47495568840368 24240221 C1=CC=C(C=C1)OCC(=O)NC2=C(C=NC=C2)Cl 1 1.963 2 2 0 -4.62102098591233 24240201 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3N4CCCC4 1 3.784 3 2 -8.92645060454366 24240147 COC1=CC=CC=C1C(=O)NCCC(=O)NC2=C(C=CC=N2)O 1 1.052 3 4 0 -12.3199727627378 24240011 CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCCC2=CNC3=CC=CC=C32 1 3.296 3 3 -24.8487757579716 24240004 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=N2)SC(C)C(=O)N)C3=CC=C(C=C3)OC(F)F)O 1 4.219 3 5 0 -9.36951904431997 24239957 CC1=C(N=CC=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3 1 3.529 2 3 -4.92571671152181 24239956 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC=C(C=C3)NC(=O)C 1 1.789 4 2 0 -11.6650595640296 24239876 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CCC2=CC=CC=C2Cl)OCC 1 3.7 2 4 -19.7437265036062 24239818 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 1.925 3 3 0 -19.5468754883964 24239799 CCC1=C(SC(=C1)C(=O)NC2=C(C=CC=N2)O)C 1 2.802 2 2 -2.06280367554056 24239558 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC=NC=C2 1 1.496 3 2 0 -13.7165030958904 24239538 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=C(N=CC=C2)SC 1 2.016 3 2 -12.3566927227201 24239431 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CNC(=O)C=C2 1 0.446 3 3 0 -15.0684433174451 24239417 COC1=CC(=C(C=C1)NC(=O)CCCC2CCCCC2)OC 1 4.201 1 3 -11.6158696618549 24239357 CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CCNC(=O)C 1 2.338 3 5 0 -22.7903182303427 24239095 CC(CCC1=CC=CC=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br 1 4.396 2 2 -17.9889821567124 24239039 CC(=O)NC1=CC=C(C=C1)C(=O)NC2CCSC3=CC=CC=C23 1 2.193 2 2 -12.178300253943 24238956 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N(C)CC3=C(C(=CC=C3)OC)OC 1 3.614 2 6 0 -7.94244585178749 24238955 CC1=CC(=NC=C1)NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 4.042 2 1 -0.591964411045626 24238781 COC1=CC(=C(C=C1C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)OC)OC 1 4.683 1 4 -12.03692621609 24238725 C1CC(OC1)CNC(=O)CNC(=O)C2=CC=C(C=C2)OC(F)F 1 1.262 2 4 0 -15.7518160001774 24238724 COCCNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2 1 3.658 2 2 -14.0112758876629 24238714 CC(C)(C)C(=O)CN1C(=O)C2(CCOC3=CC=CC=C32)NC1=O 1 1.72 2 4 0 -5.83917952218496 24238589 CC1=CC(=C(C=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)O 1 3.152 2 3 -10.1334918487091 24238489 CC(C(=O)NC1=CC=CC=C1OC)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.084 2 2 -12.057108766541 24238117 CC1=CC=CC=C1NC(=O)CN2C(=O)C(NC2=O)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC 1 3.4 3 5 0 -9.11997194494699 24237831 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CC23CC4CC(C2)CC(C4)C3 1 2.657 2 3 -12.8310881675579 24237830 CS(=O)(=O)CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3 1 4.265 1 3 -12.7836906687059 24237537 CSC1=C(C=CC=N1)C(=O)NCC(=O)NC2=CC(=C(C=C2)F)F 1 2.015 3 2 -15.9646191739013 24237531 CC1CSC(=N1)N(C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3OC 1 4.91 2 2 -4.47024973462179 24237384 CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=CN=C(C=C2)OC 1 3.856 2 2 -6.14106940448835 24237061 C1CCCN(CCC1)C(=O)CCC2=CNC3=CC=CC=C32 1 3.858 2 1 -9.7728192965252 24237060 CC(C)CCC(C)NC(=O)CN1C(=O)C(NC1=O)(C)C2=CC3=CC=CC=C3C=C2 1 3.458 3 3 -10.4842762301945 24237050 CN(CC1=CC=C(C=C1)F)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.52 2 3 -5.94636168949947 24237049 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)F 1 2.852 3 2 -3.05530406774943 24236870 CN(CC1=CC=C(C=C1)F)C(=O)CNC(=O)C2CCCCC2 1 2.554 2 2 -9.18384996890714 24236869 CCNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2 1 4.137 2 1 -10.9789841244529 24236508 CN(C)S(=O)(=O)C1=CC=CC(=C1)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 3.298 2 4 -12.6102150652869 24236436 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl 1 2.45 4 3 0 -14.1043839767705 24236435 CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)C(C)C)N 1 2.03 4 4 0 -8.46321144258187 24236372 CN(CC1=C(C=C(C=C1)OC)OC)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.282 2 5 0 -7.05905590838892 24236297 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 3.695 2 4 -20.2071853035549 24236176 C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O 1 3.78 3 4 0 -7.39222739480369 24236031 CCCCCC(C)NC(=O)CN1C(=O)C(NC1=O)(C)C2=CC3=CC=CC=C3C=C2 1 3.663 3 3 -12.1181501685445 24235882 C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O 1 4.445 3 4 0 -4.54966925237597 24235567 CCNC(=O)CSC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 2.319 3 5 0 -12.015433903818 24235566 C1=CC=C(C(=C1)SC2=C(C=CC=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)Cl 1 4.445 3 4 0 -8.75492260273324 24235489 C1=CC(=C(C=C1Cl)Cl)NC(=O)CC2=CSC=C2 1 3.64 1 1 -5.01672703523111 24234782 C1CC(=O)N(C1)CCCNC(=O)NC2=CC=CC=C2F 1 0.867 3 2 0 -22.5865580436276 24234586 CCCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 3.254 4 3 0 -16.6667564345647 24234456 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)C#N 1 2.235 3 3 -14.1958194902792 24233641 CC(C)C1=CC=C(C=C1)C(C)NCCS(=O)(=O)C2=CC=C(C=C2)Br 1 4.862 1 2 -2.93161543350512 24232537 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC(C3=CC=CO3)N(C)C)F 1 3.256 3 4 0 -8.72513627188971 24251255 CC(=O)N1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C=C2OC 1 1.352 2 3 0 -7.57263483767043 24251254 CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C(=O)C 1 2.575 2 2 -9.62374677515069 24251169 CC1=CN=C(C=C1)NC(=O)CNC(=O)C2=CC=CO2 1 0.944 3 3 0 -12.7541777592257 24231795 C1=CC=C(C(=C1)C(=O)NCC2=CC=CC=N2)OCC3=CC=C(C=C3)F 1 3.458 2 2 -9.52186137228466 24231534 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C2=CC3=CC=CC=C3C=C2O 1 3.875 2 3 -3.10340351745037 24231255 CC(C1=CC=CS1)NC2=NC(=NC3=CC=CC=C32)C(F)(F)F 1 4.115 3 0 0.503935775467647 24230995 C1CCC(=CC1)CCN(C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C(=O)CC4=CC=C(C=C4)F 1 3.82 4 3 0 -8.26415005245118 24230991 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5 1 3.654 5 4 0 -7.1314062840348 24230324 C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC(=O)NCC4=CC=CC=C4 1 2.625 2 4 -11.3933986525909 24214213 COC1=CC=CC(=C1OC)C(=O)O/N=C(/C2=CC=CC=N2)\N 1 1.632 3 4 0 -1.45313911605508 24213405 CCN(CC)CC(CN1C(=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)C)O.Cl Cl- 1 4.213 3 3 0.989846123888567 24213381 CCOC(=O)CC1C2=C(CCN1)C3=C(N2)C=CC(=C3)OC.Cl Cl- 1 2.237 2 3 -10.4978622514159 24213095 C1CN(CC2=C1NC3=C2C=C(C=C3)F)CCCC(=O)C4=CC=C(C=C4)F.Cl Cl- 1 4.513 2 1 3.85688009710378 24212198 COC1=C(C(=C2C(=C1)C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O.O H2O 1 -0.531 0 10 0 -14.7704256022928 24209868 CC(C)(C(=O)N[C@H](CO)C1=CC=CC=C1)C(=O)N[C@H](CO)C2=CC=CC=C2 1 1.787 2 4 0 -5.78939389225411 24208190 CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=CC=C3 1 3.521 2 3 -13.2080588660369 24207949 C1=CC=C(C=C1)COC(=O)NCC(=O)NC2=CC=C(C=C2)F 1 2.442 2 3 -8.76624753364085 24207945 CC(C)COC(=O)N1CC(CC1C(=O)NC2=CC3=C(C=C2)OCO3)O 1 1.324 2 6 0 -9.70831519392295 24207752 COC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N.O.[Cl-] Cl- H2O 1 2.731 2 3 -3.60717578996364 24207714 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.O H2O 1 -2.172 0 12 0 -9.05040420794006 24207510 CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(CN3CCCC3)O.Cl Cl- 1 4.335 1 2 -0.898056026120893 24207297 COC1=CC2=C(C=C1)[N+](=CC=C2)CC(=O)C3=CC(=CC=C3)OC.[Br-] Br- 1 3.857 1 3 -1.1871474780764 24207206 CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C.O H2O 1 3.175 2 0 -0.425719068163587 24207105 C[NH+]1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.[Br-] Br- 1 -0.737 1 4 0 -9.01031308751649 24196709 COC1=CC=CC(=C1)CN2CCNCC2.Cl Cl- 1 1.308 2 1 0 -1.6557162404017 24196366 C1=CC=[N+](C=C1)CC(=O)NN=CC2=CC=CC=C2Cl.[Cl-] Cl- 1 2.804 3 1 -5.32276993568205 24196305 C1=CC=[N+](C=C1)CC(=O)NN=CC2=CC(=C(C=C2)Cl)Cl.[Cl-] Cl- 1 3.468 3 1 -6.02913233435237 24192742 C1=CC=[N+](C=C1)CC2=CC=C(C=C2)Br.[Br-] Br- 1 3.766 1 0 3.28404127137454 24184758 C1=CC=C(C=C1)C(=O)C[N+]2=CC(=CC(=C2)Br)Br.[Br-] Br- 1 4.187 1 1 -1.94690480827171 24184329 C1=CC=C2C(=C1)C=C(C=[N+]2CC(=O)C3=CC=C(C=C3)F)Br.[Br-] Br- 1 4.844 1 1 1.69694273845793 24184234 CC1=CC=[N+](C=C1)CC[N+]2=CC=C(C=C2)C.[Br-] Br- 1 3.66 2 0 2.77663395578688 24184073 C1=CC=C2C(=C1)C=C(C=[N+]2CC(=O)C3=CC=C(C=C3)Cl)Br.[Br-] Br- 1 5.303 1 1 2.80706440357949 24183982 C1=CC=C2C(=C1)C=C(C=[N+]2CC(=O)C3=CC=C(C=C3)Br)Br.[Br-] Br- 1 5.387 1 1 0.420744771609245 24162519 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC=CN2C 1 1.129 4 2 0 -11.3056244252481 24158949 CCC1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 3.846 2 4 -3.50141207522893 24157140 CC1CC(CN(C1)C(=O)C2=CC3=CC=CC=C3C=C2OC)C 1 3.691 1 2 -9.59787157484052 24155159 CCOC1=CC(=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=C(C=C4)Cl)/O)C 1 4.824 2 4 -1.73118112802267 24152145 C1CCN(CC1)N/C=C\2/C=CC(=O)C(=C2)O 1 0.266 2 2 0 -1.53347027331436 24134081 COC1=CC(=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4OC)NC2=S)OC 1 4.461 3 5 0 -16.4150751532248 24128979 CC1=CC(=C(C=C1)OC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4(CC3)OCCO4)F 1 2.471 2 6 0 -22.2188530032282 24128919 CC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 2.776 3 3 -17.6865339359951 24127759 CC1=CC(=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2)C 1 3.782 2 1 -11.2978910821985 24127596 C1COCCN1CCN2C(/C(=C(\C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)/O)/C(=O)C2=O)C5=CC=C(C=C5)F 1 1.212 3 7 0 -22.8500068808849 24105040 CC1=CC(=CC(=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C 1 3.876 2 4 -3.46799935246409 24100990 C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC2=CC(=C(C=C2)F)F 1 3.315 2 4 -2.17323140326094 24100086 CC1=CC=CC=C1NC2=C(C=CC3=NON=C32)[N+](=O)[O-] 1 3.33 4 3 0 -7.036283130886e-002 24080140 COC1=CC(=C(C=C1)OC)NC(=O)N2CCC3=CC=CC=C3C2 1 2.777 2 3 -11.1968604107336 24079765 COC1=CC(=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4OC)NC2=S)OC 1 4.454 3 5 0 -14.4435980205718 24074262 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CC3=CC=CC=C3 1 1.766 1 5 0 -11.9528593426071 24070176 C1CC(OC1)CNC(=O)COC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F 1 2.876 1 5 -15.8645118386823 24070079 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=N3)C 1 2.571 3 3 -20.4080221893602 24052289 COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-] 1 3.129 3 5 0 -1.23150312171406 24051190 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=N3)C 1 2.697 3 3 -15.619875203921 24049212 CCOC(=O)N1CCC(CC1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-] 1 1.419 4 8 0 -7.08479785149203 24043409 C1CCCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N 1 2.083 5 3 0 1.88913016622921 24042480 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2OC)OC)OC)C3=CC=CC=C3 1 2.599 2 6 0 -26.2130867241804 24041599 CC(=C)[C@H]1[C@@H]2[C@@H]3[C@@]4([C@](C1C(=O)O2)(CC5[C@]4(O5)C(=O)O3)O)C 1 -0.176 0 6 0 -2.28861943953599 24031031 COC1=CC=CC(=C1)/C=C/2\C(=O)N(C3=CC=CC=C3O2)CC(=O)NCC4CCCO4 1 2.125 2 5 0 -14.4580480246586 24023262 CC12CC(C3C(C1CCC2=NO)CCC4=C3C=CC(=C4)O)O 1 2.836 1 3 -0.290312264240938 24022786 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 2.427 4 4 0 -13.1963791000067 24021944 CCOC1=CC(=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=C(C=C4)C)/O)C 1 4.646 2 4 -3.74147641294329 24016163 COC1=CC(=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S)OC 1 3.326 4 4 0 -16.9453485690047 24000844 CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=CC(=C4)C(=O)O 1 3.239 5 3 0 -16.0882941789382 23994661 C1=CC=NC(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)Br 1 2.967 1 3 -10.2971841856516 22613412 C1=CC=C2C(=C1)C=CC=C2C(=O)NNC(=O)C3=CC=CC=C3O 1 2.538 2 3 0.356253546763657 23834868 COC1=CC=CC(=C1OC)/C=C/2\CCC(C2=O)C3CCCC3 1 4.448 0 3 -2.29970535896596 23847014 C1[C@@H](C=C(O[C@@H]1OCCCCO)C(=O)O)C2=CC=C(C=C2)C(F)(F)F 1 2.767 0 5 3.14640326837217 23847012 C1CCCN(CCC1)C(=O)C2=C[C@H](C[C@H](O2)OCCCCO)C3=CC=C(C=C3)C(F)(F)F 1 4.381 1 4 -0.21611618137407 23827542 CC(C)C1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)OC)/O)/C(=O)C(=O)N2CCCN4CCOCC4 1 3.442 2 5 0 -9.00644556569193 23823889 C1=CC(=O)C(=NC2=C(C=CC3=C2NON3)[N+](=O)[O-])C=C1[N+](=O)[O-] 1 1.904 5 6 0 -3.02586442514715 23821935 CC(C)C1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)OC)/O)/C(=O)C(=O)N2C4=CC=CC=N4 1 4.519 2 4 -4.18405725009445 23821386 CC(C)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3 1 1.32 3 4 0 -22.5964438241511 23817963 CN1C[C@@]2([C@H]3[C@H]1[C@@H]4C2CC([C@@]35C6=CC=CC=C6NC5=O)OC4)C=C 1 0.891 2 2 0 -5.7015159429369 23817960 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5C3(C2)[C@@]6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O 1 -2.2e-002 0 9 0 -1.82406562185783 23799814 C1COCCN1CCN2C(/C(=C(\C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)/O)/C(=O)C2=O)C5=CC=CC=C5 1 1.007 3 7 0 -24.0142375906104 23798996 CC1=C(C=CC(=C1)OCC=C)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CC=C4)/O 1 3.351 2 5 0 -13.6043465492534 23797550 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.494 3 6 0 -15.8309156370136 23789530 C[C@H]1C[C@H](OC(=C1)C(=O)NCC2=NC3=CC=CC=C3N2)OCCCCO 1 1.663 3 4 0 -7.04944160069597 23789429 C#CCNC(=O)C1=C[C@@H](C[C@@H](O1)OCCCCO)C2=CC3=C(C=C2)OCO3 1 2.363 1 6 0 -7.63213466634779 23789397 C[C@@H]1C[C@@H](OC(=C1)C(=O)O)OCC2=CC=C(C=C2)CO 1 1.668 0 5 0 -3.30005903625524 23806100 CCOC1=CC=C(C=C1)NC(=O)/C=C/C(=O)NCC2=CC=C(C=C2)OC 1 2.671 2 4 -8.97221235364896 23774933 C1=CC(=NC=C1Cl)NC(=O)COC(=O)C2=NC=CN=C2 1 0.501 4 3 0 -9.65586786520836 23768754 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3 1 2.902 3 2 -2.70587052352199 23767148 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4 1 0.741 2 8 0 -26.65002390355 23762247 CC1=CC(=C(C=C1)C)NC(=O)N2CCC3=CC=CC=C3C2 1 3.782 2 1 -10.3141916689145 23761918 COC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCN3CCNCC3)C4=CC=C(C=C4)OCC=C)/O 1 2.52 3 5 0 -17.9318684181251 23760140 CC(=O)N[C@@H](CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O 1 -2.034 2 8 0 -18.8849665450673 23760137 C1=NC(=NC(=O)N1C2[C@@H]([C@@H]([C@H](O2)CO)O)O)N 1 -1.859 4 5 0 -9.62499243863321 23760133 CC[C@@H]1[C@H](N2[C@H]3CC1C4[C@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)O 1 1.932 2 2 0 4.2324285243912e-002 23740788 CCN(CC)C1=CC=C(C=C1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C 1 2.728 4 2 -15.2871011825634 23737902 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=C(C=CC=C5Cl)F 1 4.674 4 3 0 -24.0037955968441 23736052 C\1=C(C=C(C(=O)/C1=C/NC2=NC=NN2)Cl)Cl 1 0.666 4 1 0 -3.47581382970537 23734685 CC1=CC=C(C=C1)C2/C(=C(\C3=C(C=C(C=C3)OCC=C)C)/O)/C(=O)C(=O)N2CCCN4CCOCC4 1 3.837 2 5 0 -13.340289459327 23734016 C\1=CC(=O)C(=C/C1=C\NN2C=NC=N2)O 1 -0.773 4 2 0 -3.52733719656444 23731784 CCOC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)F)/O)C 1 3.289 2 5 0 -8.96904910640141 23731409 CC(=O)OCC1C(C(C(C(O1)OCC2=CN(N=N2)C[C@H]3CC[C@@H](O3)CN4C=C(N=N4)COC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C 1 -1.009 6 21 0 -29.4535024238598 23731407 C1C[C@@H](O[C@H]1CN2C=C(N=N2)C3=CC=CC=N3)CN4C=C(N=N4)C5=CC=CC=N5 1 2.68 8 1 0 -6.24181498631345 23731406 CC1=CC=C(C=C1)C2=CN(N=N2)C[C@H]3CC[C@H](O3)[C@@H]4CC[C@@H](O4)CN5C=C(N=N5)C6=CC=C(C=C6)C 1 5.484 6 2 0 -5.58751024075695 23731405 COC1=CC=CC(=C1)C2=CN(N=N2)C[C@H]3CC[C@H](O3)[C@@H]4CC[C@@H](O4)CN5C=C(N=N5)C6=CC(=CC=C6)OC 1 4.479 6 4 0 -3.7207821314921 23731403 C1C[C@H](O[C@H]1CN2C=C(N=N2)CCCCN3C(=O)C4=CC=CC=C4C3=O)[C@@H]5CC[C@@H](O5)CN6C=C(N=N6)CCCCN7C(=O)C8=CC=CC=C8C7=O 1 4.331 8 6 0 -12.6729861471352 23731402 C1C[C@H](O[C@H]1CN2C=C(N=N2)CCCN3C(=O)C4=CC=CC=C4C3=O)[C@@H]5CC[C@@H](O5)CN6C=C(N=N6)CCCN7C(=O)C8=CC=CC=C8C7=O 1 3.419 8 6 0 -11.8180943219154 23731401 CC(=O)OCC1C(C(C(C(O1)OCC2=CN(N=N2)C[C@H]3CC[C@H](O3)[C@@H]4CC[C@@H](O4)CN5C=C(N=N5)COC6C(C(C(C(O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C 1 -0.622 6 22 0 -29.2159298855249 23731400 C1C[C@H](O[C@H]1CN2C=C(N=N2)C3=CC=CC=N3)[C@@H]4CC[C@@H](O4)CN5C=C(N=N5)C6=CC=CC=N6 1 3.068 8 2 0 -6.00424244797849 23731399 C1C[C@H](O[C@H]1CN2C=C(N=N2)C3=CN=CC=C3)[C@@H]4CC[C@@H](O4)CN5C=C(N=N5)C6=CN=CC=C6 1 2.211 8 2 0 -8.21535041445298 23731398 C1C[C@H](O[C@H]1CN2C=C(N=N2)C3=CSC=C3)[C@@H]4CC[C@@H](O4)CN5C=C(N=N5)C6=CSC=C6 1 3.836 6 2 0 -7.46671591195632 23731397 C1CCC(C1)CC2=CN(N=N2)C[C@H]3CC[C@H](O3)[C@@H]4CC[C@@H](O4)CN5C=C(N=N5)CC6CCCC6 1 5.015 6 2 0 -8.07562419812052 23731396 C1C[C@H](O[C@H]1CN2C=C(N=N2)CCC3=CC=CC=C3)[C@@H]4CC[C@@H](O4)CN5C=C(N=N5)CCC6=CC=CC=C6 1 5.494 6 2 0 -9.560240607552 23731394 C1C[C@H](O[C@H]1CN2C=C(N=N2)CSC3=CC=CC=C3)[C@@H]4CC[C@@H](O4)CN5C=C(N=N5)CSC6=CC=CC=C6 1 5.299 6 2 0 -7.16269952199271 23731393 C1C[C@H](O[C@H]1CN2C=C(N=N2)CCCCl)[C@@H]3CC[C@@H](O3)CN4C=C(N=N4)CCCCl 1 3.387 6 2 0 -10.8936605420683 23731392 CCCCC1=CN(N=N1)C[C@H]2CC[C@H](O2)[C@@H]3CC[C@@H](O3)CN4C=C(N=N4)CCCC 1 4.342 6 2 0 -10.739108971877 23731391 C1C[C@H](O[C@H]1CN2C=C(N=N2)C3=CC=CC=C3)[C@@H]4CC[C@@H](O4)CN5C=C(N=N5)C6=CC=CC=C6 1 4.512 6 2 0 -6.06202665707215 23731374 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N([C@@H]2C3=CC=C(C=C3)Cl)C(=O)CNCC4=CC=CC=C4)(CC5=CC=CC=C5)C(=O)OCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 1 8.674 3 5 0 1.56975542064292 23731373 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23724453 CNC1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3.Cl Cl- 1 2.704 4 0 -0.460867891968648 23724455 C1=CC(=C(C(=C1)Cl)Cl)CNCCCSC2=NC=CC=N2.Cl Cl- 1 3.691 3 0 -0.881595601713928 23724456 C1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCO.Cl Cl- 1 1.704 4 1 0 5.68415229927202 23724452 CC1CC(C(CN1C)C)N(CCN)CC2=CC=C(C=C2)OC.Cl Cl- 1 1.995 3 1 0 -1.1940684888561 23724451 CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl Cl- 1 3.033 3 4 0 -6.06395585899235 23724450 CC1=CC=CC=C1NC2=CC(=NC3=C2C=CC=C3OC)C.Cl Cl- 1 4.318 2 1 5.55078566853146 23724449 C1=CC=C(C=C1)C(C2=CN=CC=C2)N.Cl Cl- 1 1.397 2 0 0 -4.935289445483 23724448 CC1CC(CN(C1)CCC(=O)NC2=C(C=CC(=C2)OC)OC)C.Cl Cl- 1 2.727 2 3 -10.9377052851934 23724447 C1COCCN1CCNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F.Cl Cl- 1 1.509 2 3 0 -4.01354760994259 23724446 COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2NCCCl.Cl Cl- 1 3.334 3 2 -7.53965145648799 23724440 C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)NCCO.Cl Cl- 1 2.165 4 1 3.0069895298723 23724439 CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NC3=CC=CC=N3.Cl Cl- 1 3.949 2 1 -1.6319633180796 23724438 CN1C=CN=C1SCC(=O)C2=CC(=CC=C2)OC.Br Br- 1 2.246 2 2 -4.14214651344689 23724437 CCN(CC)C(=O)CN1C(=C(C2=CC=CC=C21)/C=C/C3=CC=[N+](C=C3)C)C.[I-] I- 1 4.028 3 1 -6.89979082586739 23724436 CCOC1=C(C=C(C=C1)CNCCCSC2=NC=CC=N2)OC.Cl Cl- 1 2.678 3 2 -9.04418307199035 23724434 CC1=C(C(=CC=C1)C)OCCN2C3=CC=CC=C3N=N2.Cl Cl- 1 4.245 3 1 -7.45866962200821 23724433 CN(C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=C(C=CC(=C3)OC)OC)O.Cl Cl- 1 3.336 1 5 4.1001370514758 23724431 CC(C)N1C=C(C2=CC=CC=C21)/C=C/C3=CC=[N+](C=C3)C.[I-] I- 1 4.646 2 0 2.82231486109291 23724428 C1=CN=C(N=C1)SCCCNCC2=CC=C(C=C2)Cl.Cl Cl- 1 3.027 3 0 -1.00369464425832 23724426 CC1=CC(=C(C=C1)OC)NC(=O)CNCC2=CC=CS2.Cl Cl- 1 2.213 2 2 -7.92705418438727 23724425 COC1=C(C=C(C=C1)CCNC2=NC=NC3=C2N=NN3CC4=CC=CC=C4)OC 1 3.392 6 2 0 -11.1069609099774 23724423 CCCN1C2=CC=CC=C2N=C1/C=C/C3=CC=[N+](C=C3)C.[I-] I- 1 4.421 3 0 6.30270898697561 23724422 CC[N+]1=CC=C(C=C1)/C=C/C2=CNC3=CC=CC=C32.[Cl-] Cl- 1 4.063 2 0 7.64915966864264 23724379 CC1=CC(=C(C=C1)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O)C 1 3.577 1 3 -4.20576967494746 23724380 CC1=CC(=C(C=C1)C)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O 1 3.577 1 3 -3.36578922121471 23724381 CC1=CC=CC=C1CNCCCSC2=NC=CC=N2.Cl Cl- 1 2.849 3 0 -2.69060191082041 23724382 COC1=CC=CC(=C1)NC(=O)CNCC2=CC=CC=C2.Cl Cl- 1 1.987 2 2 0 -4.63558790589484 23724383 CC(=O)OC1=C(C=C(C=C1)C=NNC2=NN=CN2N)OC.Cl Cl- 1 -2.4e-002 6 3 0 -10.0170042739076 23724384 CC1=NN=C(N1N)NN=CC2=CC=CC=C2C(F)(F)F.Cl Cl- 1 1.428 6 0 0 -6.02349807619296 23724385 CN(C)CCN1C2=CC=CC=C2N=C1NCC3=CC4=C(C=C3)OCO4.Cl Cl- 1 2.919 4 2 -4.91385565131765 23724386 CC1=NN=C(N1N)NN=CC2=CC=C(C=C2)Br.Cl Cl- 1 1.234 6 0 0 -7.01552843137682 23724387 CCCCCOC1=CC=C(C=C1)C(=O)CCN2CCOCC2.Cl Cl- 1 3.28 1 3 -2.15333778729402 23724388 CN1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl Cl- 1 1.152 2 4 0 -6.23990828274679 23724389 COC1=CC=C(C=C1)NCCC2=CC=CC=N2.Cl Cl- 1 2.518 2 1 -2.44661759007212 23724419 CCN1C2=CC=CC=C2N=C1/C=C/C3=CC=[N+](C=C3)C.[I-] I- 1 3.897 3 0 6.76035957250942 23724418 CCN(CC)C1=CC(=C(C=C1)/C=C/C2=CC=CC=[N+]2C)OC.[I-] I- 1 4.555 2 1 -2.04771258609484 23724416 C[N+]1=CC=C(C=C1)/C=C/C2=CN(C3=CC=CC=C32)CC=C.[I-] I- 1 4.536 2 0 0.965800167056774 23724415 CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCN2CCOCC2.Cl Cl- 1 -0.316 3 5 0 -9.77638196723517 23724414 C[N+]1=CC=C(C=C1)/C=C/C2=CN(C3=CC=CC=C32)CC(=O)OC.[I-] I- 1 3.627 2 2 -1.45256978280191 23724408 CC1=C(C2=CC=CC=C2N1CC=C)/C=C/C3=CC=[N+](C=C3)C.[I-] I- 1 4.682 2 0 -0.393819899377702 23724407 CC(CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)N.Cl Cl- 1 3.717 2 0 -2.51691268349158 23724405 C1=CC(=CC(=C1)Cl)CNCCCSC2=NC=CC=N2.Cl Cl- 1 3.027 3 0 -0.800342958253618 23724401 CC1CCCC(N1CC(C)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C.Cl Cl- 1 3.824 1 5 -12.4044562260809 23724400 CCCCC1CC2(C3=C(CCN2C1)C4=CC=CC=C4N3)C.Cl Cl- 1 4.945 2 0 -3.02861371090132 23724399 CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CC4=NC=CN=C4C=C3 1 2.845 4 1 -4.43471620418677 23724398 CC1=CC=C(C=C1)OCC(=O)OC(C)CN2CCCCC2.Cl Cl- 1 3.44 1 3 -5.24860554589492 23724397 CN1C(/C(=C(\C2=CC=CC=C2)/O)/C(=O)C1=O)C3=C(C=C(C=C3)OC)OC 1 2.343 1 5 -5.37157525729832 23724396 CN1C=CC=C1CNCCC2=CC(=C(C=C2)OC)OC.Cl Cl- 1 2.617 2 2 -4.56018152004697 23724395 CC1CC(C(CN1C)C)(CCNCC2=CC(=C(C=C2)OC)OC)O.Cl Cl- 1 1.651 2 3 0 -4.53171060322867 23724394 CC(C)C1=CC=C(C=C1)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O 1 3.799 1 3 -2.91844472903482 23724393 CC(CN1CCN(CC1)C)OC(=O)C2=CC=CC=C2OC.Cl Cl- 1 2.142 2 3 -3.58207837888522 23724392 C1CCN(C1)CCNC(=O)C2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 2.966 2 1 -2.86808543620578 23724391 CCOC(=O)N1CCN(CC1)CCC(=O)NC2=C(C(=CC=C2)Cl)C.Cl Cl- 1 2.564 3 3 -4.20695958432114 23724390 CCOC(=O)C1CCCN(C1)CCC(=O)NC2=C(C(=CC=C2)Cl)C.Cl Cl- 1 3.166 2 3 -4.81598052490432 23724378 COC(=O)C1=CC(=CC(=C1)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O)C(=O)OC 1 2.316 1 7 0 -8.60983887558861 23724377 CC1=C(C=C(C=C1)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O)F 1 3.297 1 3 -1.84115540882494 23724376 CC1=CC(=C(C=C1)F)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O 1 3.297 1 3 -2.78644449804343 23724375 COC1=CC=CC(=C1)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O 1 2.589 1 4 -3.73821777579642 23724374 COC1=CC(=C(C=C1)OC)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O 1 2.572 1 5 -4.7731933770472 23724373 CC1=CC(=C(C(=C1)C)NC(=O)CNCCC2=CC(=C(C=C2)OC)OC)C.Cl Cl- 1 3.751 2 3 -8.72875511901816 23724372 C1CCC2=C(C1)C3=C(O2)C(=CC=C3)N.Cl Cl- 1 2.77 1 1 -2.05277588614517 23724371 COC1=C(C=C(C=C1)Cl)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O 1 3.253 1 4 -2.4930723394838 23724370 CCOC(=O)C1=CC=CC=C1N/C=C/2\C(=O)C3=CC=CC=C3OC2=O 1 2.809 1 5 -10.0961083108528 23724369 COC1=CC(=C(C=C1N/C=C/2\C(=O)C3=CC=CC=C3OC2=O)OC)Cl 1 3.236 1 5 -8.1065836075712 23724368 CC1=CC(=C(C(=C1)C)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O)C 1 4.063 1 3 -2.2192642456317 23724367 CC1=C(C=C(C=C1)F)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O 1 3.297 1 3 -2.51766443235858 23724366 COC1=CC=C(C=C1)OCC2CCNCC2.Cl Cl- 1 1.95 1 2 0 -2.07590629839943 23724365 CC1=CC2=C(C=C1)N=C(N2)CCC3=CC=C(C=C3)N.Cl Cl- 1 3.501 3 0 2.23768265531206 23724364 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)F)NCCCO.Br Br- 1 2.413 3 2 -3.0561618254512 23724363 CN1CCC(CC1)N(C)C(=O)C2=CC=CC=C2F.Cl Cl- 1 1.56 2 1 0 -1.51651483247134 23724362 C1CC2=CC=CC3=C2N(C1)C(=C(C3=O)C(=O)NCCN)O.Cl Cl- 1 0.876 3 3 0 -7.26764847228643 23724361 C1=CC=NC(=C1)NC2=NC(=CS2)C3=C(C=C(C=C3)F)F.Cl Cl- 1 3.486 3 0 9.85391668034879 23724360 C[N+]1=CC=C(C=C1)C(=O)NC2=CC=CC=C2Cl.[I-] I- 1 2.883 2 1 -4.51681488498716 23724358 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C)C.Cl Cl- 1 3.706 3 1 -0.487812921364172 23724357 CC(CN1CCCC1)OC(=O)C2=CC(=CC=C2)F.Cl Cl- 1 2.868 1 2 -4.00658334285753 23724356 CC(CN1CCCC1)OC(=O)CC2=CC=C(C=C2)Cl.Cl Cl- 1 3.361 1 2 -2.37656067766776 23724355 CC(CN1CCN(CC1)C)OC(=O)C2=CC=C(C=C2)OC.Cl Cl- 1 2.142 2 3 -2.74450827011048 23724354 CCC1=CC=CC(=C1N/C=C/2\C(=O)C3=CC=CC=C3OC2=O)C 1 4.033 1 3 -4.38917426359327 23724353 CC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)C3=CC=CC=C3F)C.Cl Cl- 1 2.963 3 2 -9.65318153419013 23724352 CC(C)N1C2=CC=CC=C2N=C1CN(C)C3=CC=CC=C3.Cl Cl- 1 4.216 3 0 1.81216400815333 23724349 CC1=C(SC(=N1)NN=C(C)C2=CC=C(C=C2)OC)C(=O)C.Br Br- 1 2.086 3 2 -5.6182825635626 23724348 CCCC1=CC=C(C=C1)OCC(CN2CCN(CC2)CCO)O.Cl Cl- 1 2.258 2 3 0.388067466446418 23724347 CC1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C.Cl Cl- 1 4.318 2 1 7.34823771995133 23724346 CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C(=CC(=N3)C)C)C#N.Cl Cl- 1 4.521 4 0 -7.01035923419648 23724345 COC1=C(C2=CC=CC=C2C=C1)CNCCN3CCOCC3.Cl Cl- 1 2.086 2 2 0.92093058259093 23724344 CC1=CC(=C[N+](=C1)CC(=O)C2=C(C(=C(C=C2C)C)[N+](=O)[O-])C)C.[Br-] Br- 1 5.015 2 3 -2.38550231650654 23724343 CC(=O)C1=CC(=CC=C1)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O 1 2.345 1 4 -7.16014712606733 23724342 CCN1C2=C(C=C(C=C2)CNCCCN3CCOCC3)C4=CC=CC=C41.Cl Cl- 1 3.304 3 1 4.41913294687508 23724341 C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=C(C=C3)Br.[Zn+2] Zn 1 4.631 3 0 3.00103503757853 23724339 COC(=O)C1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=C3)O.Cl Cl- 1 3.146 2 3 5.39306413902527 23724337 C1C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3.[Na+] Na+ 1 3.923 2 1 -6.11106838864107 23724336 C1=CC=C(C=C1)N2C=C[N+](=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-] Br- 1 3.992 3 3 3.75993547683521 23724332 C1=CC=[N+](C=C1)CCCC[N+]2=CC=CC=C2.[Br-] Br- 1 3.33 2 0 5.21236167109275 23724330 CN(C)CCCN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)F.Cl Cl- 1 4.154 3 2 -1.40051106701755 23724329 CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCCN(C)C)C2=NC(=CS2)C3=CC=C(C=C3)OC.Cl Cl- 1 5.349 3 2 0.465746056628508 23724328 CC1=C(SC(=N1)C)C2=CSC(=N2)NC3=CC=C(C=C3)OC.Br Br- 1 2.96 3 1 8.41001415001642 23724327 C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)N.Cl Cl- 1 2.093 4 0 8.21114816356464 23724325 CCOC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3.[Br-] Br- 1 3.679 2 4 -7.83974242320716 23724324 CC1C2=C(CCN1)C3=C(N2)C=CC(=C3)OC.Cl Cl- 1 2.281 2 1 -3.81733943820173 23724323 CC1=CN=C(S1)NC(=O)CN2CCCCC2.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 1.016 3 1 0 -5.18441161931617 23724319 CC1=CC(=C(C=C1)C)NC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 3.043 2 1 -8.25270713794952 23724317 C1CCN(CC1)CCOC2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)OCCN5CCCCC5.Cl Cl- 1 5.068 3 3 0.967367929673579 23724315 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CCN.Cl Cl- 1 2.307 2 1 -1.31410430883109 23724314 C1CN(CCN1CC(COC2=CC=CC3=CC=CC=C32)O)C(=O)C4=CC=CC=C4.Cl Cl- 1 3.231 2 3 -8.55886966693833 23724313 CCN(CC)CCSC1=NC2=CC=CC=C2N1CC3=CC=CC=C3.Cl Cl- 1 5.054 3 0 -7.20538956609355 23724312 CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C)C=C1.Cl Cl- 1 3.409 4 3 0 -5.31155861690813 23724311 C1CN(CCN1CC2=CC=CC=C2)N=CC3=CC=CC=C3Cl.Cl Cl- 1 3.769 3 0 4.51057076683773 23724310 C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC=C(O3)S(=O)(=O)[O-].[Na+] Na+ 1 -0.941 2 7 0 -10.9914131869745 23724307 C1=CC=C(C=C1)C2=NC3=C(N2)C(=NC(=N3)N)N.Cl Cl- 1 1.254 6 0 0 3.12111656745151 23724306 COC1=C/C(=C\NN=CC2=CC(=CC=C2)[N+](=O)[O-])/C(=O)C=C1 1 1.401 3 4 0 -4.1947905163555 23724304 C1=CC=C(C=C1)CN\2C=C(C=C/C2=C\[NH+]=O)C(=O)N.[Br-] Br- 1 0.449 3 2 0 -0.469434627457858 23724303 CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)CC(CNC(C)C)O.O.Cl Cl- H2O 1 3.726 3 1 7.1282193612688 23724302 CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N(C2=N)N.Br Br- 1 2.203 4 1 -5.79131989401184 23724301 COC1=CC2=C(C=C1)NC=C2CCNCC3=CN=CC=C3.Cl Cl- 1 2.398 3 1 -1.93215759575499 23724300 CC(C1=CC=CC=C1)NC(=O)CCC(=O)N2CCCCCC2 1 2.337 2 2 -19.5801026113964 23724297 CCOC(=O)C1=C(N=C(S1)NN/C=C/2\C=C(C(=O)C(=C2)Br)OC)C 1 1.051 3 4 0 -2.74006813807452 23724295 CC1=C(C(=O)N(C1OC)CC2=CC=C(C=C2)OC)C 1 2.475 1 3 -2.26605790116121 23724292 CCOC(=O)C1=CC(=NN1CC=C)C2=CC=CC=C2 1 3.539 2 2 -4.46584233046522 23724291 C1=CC=C2C(=C1)C=CC=C2NC3=NC(=CS3)C4=CC(=C(C=C4)O)O.Cl Cl- 1 4.111 2 2 15.3774874279598 23724289 CC1=C(C(=O)N(C1OC)CC2=CC=C(C=C2)F)C 1 2.697 1 2 -1.30998751546126 23724287 COC1C2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F 1 2.855 1 2 -2.65806400225952 23724286 CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)Br)C3=C(NNC3=O)C.Cl Cl- 1 0.557 4 2 0 -6.78070666604642 23724283 CCCNC(=O)C1(CCN(CC1)C(=O)CCCCCBr)CC2CC(=NO2)C3=CC=CC=C3 1 3.935 3 3 -12.7903818957935 23724281 CCOC(=O)C1=CC(=NN1CC2CC(=NO2)C3=CN=CC=C3)C4=CC=CC=C4 1 3.229 4 3 0 -5.4635075260258 23724279 CCCCNC(=O)CCC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 3.485 3 2 -23.9574540314474 23724276 CC(C)OC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCN3CCNCC3)C4=CC(=CC=C4)[N+](=O)[O-])/O 1 2.54 4 6 0 -17.3126805359399 23724272 CC(CCC1=CC=CC=C1)NC(=O)CCC(=O)N2CCC(CC2)C(=O)N 1 1.215 3 3 0 -19.1904803002119 23724270 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2CCN(CC2)C.Br Br- 1 4.092 2 2 0.130146273499938 23724269 CC1CC(C(CN1C)C)NCC2=CC(=C(C=C2)OC)OC.Cl Cl- 1 2.271 2 2 -3.77525988488974 23724266 C1CCN(CC1)C(=O)/C(=C\C2=CC(=C(C(=C2)Cl)O)Cl)/C#N.Cl Cl- 1 3.554 2 2 -8.58546385205304 23724264 C[N+]1=CN(C=C1)CC(=O)C2=CC=CS2.[Br-] Br- 1 2.475 2 1 -1.18169565375152 23724262 CC1=CC=[N+](C2=CC=CC=C12)C(C)C(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-].[Br-] Br- 1 4.738 2 4 -5.74337269963931 23724261 CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC=C3C)C.[Cl-] Cl- 1 8.007 2 3 -4.98813416444083 23724258 CC1CCN(CC1)CCC(=O)NC2=CC(=C(C=C2)Br)C.Cl Cl- 1 3.608 2 1 -5.88402365534032 23724256 C1COCCN1C2[C@@H]3CC4C[C@H]2CC(C3)(C4)O.Cl Cl- 1 1.048 1 2 0 2.27634963505797 23724254 CC1=C[N+](=CC=C1)CC(=O)NC2=CC(=CC=C2)Cl.[Cl-] Cl- 1 3.221 2 1 -2.25089830105645 23724253 CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC=CC(=C2)C.Cl Cl- 1 1.899 3 3 0 -3.57525304612559 23724252 C1CN=C2N(C1)C3=CC=CC=C3N2CCO.Cl Cl- 1 0.706 3 1 0 -6.97800427669591 23724250 CCN(CC)CCNCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OC.Cl Cl- 1 3.403 4 3 0 -4.80849408664455 23724249 CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC(=C3)C)C.[Cl-] Cl- 1 8.007 2 3 -3.86697623891227 23724247 C1CCN(CC1)CCOC(=O)COC2=CC=C(C=C2)Br.Cl Cl- 1 3.325 1 3 -4.67760531013142 23724245 CC1CN(CC(O1)C)CCC(=O)NC2=CC=C(C=C2)C.Cl Cl- 1 2.133 2 2 -8.96458257228547 23724243 CC(C(=O)N(C)CC(COC1=CC=C(C=C1)OC)O)OC2=CC=CC=C2 1 2.668 1 5 -6.39356042898337 23724237 CCCCN1C(C(=C(C1=O)C)C)OCCC2=CC(=C(C=C2)OC)OC 1 4.109 1 4 -6.72018086491495 23724236 CC1=C(C=CC(=C1)OCC(CN(C)C(=O)C(C)OC2=CC=CC=C2)O)Cl 1 3.835 1 4 -4.8639708562489 23724235 C1=CC=C(C(=C1)C[N+]2=CC=C(C=C2)C(=O)N)Cl.[Br-] Br- 1 2.684 2 1 -3.91587050539603 23724234 CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)Cl.[Cl-] Cl- 1 2.897 3 1 -5.86018668031516 23724233 COC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=CC=CC=C32.Cl Cl- 1 2.686 2 3 -5.52338996878341 23724232 C1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O.Cl Cl- 1 3.615 1 3 7.23288856632513 23724231 CC(C(=O)C1=CC=CC=C1)[N+]2=CC=C(C=C2)NC(=O)C.[Cl-] Cl- 1 2.295 2 2 -5.62400479884488 23724230 CC/C(=C/C1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C)/C=C\4/N(C5=C(S4)C=CC6=CC=CC=C65)C.[Cl-] Cl- 1 8.595 2 0 7.68314405525695 23724228 C1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)CC(=O)N.[I-] I- 1 1.073 3 2 0 -5.17172077506247 23724227 CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)/C=C/3\C=C(C(=O)C(=C3)OC)[N+](=O)[O-])C 1 2.303 3 5 0 -3.20376582586625 23724226 CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=CC=CC=C2C(F)(F)F.[Cl-] Cl- 1 3.175 3 1 -8.54367103746671 23724224 CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C)C3=C(C=C(C=C3)OC)OC)/O 1 2.829 1 5 -4.57592768978898 23724222 CC1=CC(=CC=C1)NC2=CC(=NC3=CC=CC=C32)C.Cl Cl- 1 4.335 2 0 6.98806359767031 23724221 CON=C(C1=CC=CC=C1)C2=CN=CC=C2 1 2.19 2 1 -2.8994283311594 23724220 C1=CSC(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-].Cl Cl- 1 1.584 3 3 0 -3.03530356945737 23724219 CCCC(=O)NC1=NN=C(S1)CCC2=CC=CC=C2.Cl Cl- 1 2.963 3 1 -16.4544654611456 23724218 COC(=O)CNC(=O)CCC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 1.863 3 4 0 -25.8659173309541 23724217 CC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C.Cl Cl- 1 1.648 3 1 0 -1.4301772458264 23724211 CN1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl.Cl Cl- 1 2.45 3 1 4.802658412458 23724204 CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-].[Cl-] Cl- 1 2.792 4 3 0 -9.57074700302829 23724203 CC1=C(C(=O)N(C1=O)C(C)CCC2=CC=CC=C2)C 1 3.442 1 2 -2.10792799226219 23724202 C1CCCN(CC1)CC#CCC(C2CCCC2)(C3=CC=CC=C3)O.Cl Cl- 1 5.266 1 1 1.21270539164686 23724201 CC1CC(C(CN1C)C)(C#C)OC(=O)C2=CC=CC=C2.Cl Cl- 1 3.67 1 2 -5.80291684942046 23724200 COC(=O)C1=CC=C(C=C1)C[N+]2=CC=CC=C2.[Br-] Br- 1 2.873 1 2 -1.4851507440029 23724199 CC1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)C.Cl Cl- 1 2.859 2 1 -6.03214159998504 23724198 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C[N+]2=CN(C=C2)C=C.[Br-] Br- 1 5.164 2 2 1.43310832915862 23724196 CC1(CC(CC(N1)(C)C)NC(=O)CC2=CC(=C(C=C2)OC)OC)C.Cl Cl- 1 1.779 2 3 0 -17.3475176739801 23724194 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCC4=CC(=C(C=C4)O)O.Cl Cl- 1 4.582 2 2 10.6778274948467 23724193 CC(C)CCNC1C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3.Cl Cl- 1 3.964 2 1 -7.40405686461941 23724188 COC1=CC=C(C=C1)C2=C(SC3=NCCN23)CCC(=O)O.Cl Cl- 1 2.029 2 3 -8.42545499619512 23724184 C=CN1C=C[N+](=C1)CC(=O)C2=CC=C(S2)Br.[Br-] Br- 1 3.127 2 1 -8.72362030934281e-002 23724183 C1CN2C(=CSC2=N1)C3=CC=CO3.Br Br- 1 1.224 2 1 0 -0.578012230484595 23724181 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC3=NCCN23.Br Br- 1 4.388 2 1 -0.145212428138059 23724180 CC1(CC(CC(N1)(C)C)NC(=O)CC2=CC=CC=C2)C.Cl Cl- 1 1.812 2 1 0 -13.7725296501224 23724178 COC1=C(C=C(C=C1)C2=CSC3=NCCN23)OC.Br Br- 1 1.796 2 2 0 -4.07747288245854 23724176 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)F)NCCO.Br Br- 1 2.351 3 2 -3.53368711920389 23724175 CCCSC1C(=C(C(=O)N1CC2=CC=CC=C2)C)C 1 4.109 1 1 -4.94100054969495 23724174 CC1=CC2=C(C=C1)NC(=C2)C(=O)NCCN3CCCC3.Cl Cl- 1 2.708 3 1 1.73721541235751 23724173 CCCCNC1C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3.Cl Cl- 1 3.712 2 1 -6.61217957776118 23724168 CN1CCCC(C1)OC(=O)C2=CC=CC=C2Br.Cl Cl- 1 3.062 1 2 -3.06110268422099 23724166 CC1=NC=C(/C(=C\NC2=CC(=C(C(=C2)OC)OC)OC)/C1=O)CO 1 0.461 2 5 0 -6.84646722892791 23724165 C1CCC(=NNC(=O)C2=CC(=CC(=C2O)Cl)Cl)C1.Cl Cl- 1 3.039 2 2 -0.756435131787989 23724164 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=CC=CC=C2OC 1 3.473 2 2 -8.09003429351388 23724161 CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NCCCO)N=C2C4CCCN4C5=NC(=CS5)C 1 3.547 5 2 0 -10.0516701365839 23724160 CC1=CSC(=N1)NC(C)C2=NC3=C(N2CCCO)C=CC(=C3)C(F)(F)F 1 2.893 4 1 9.47990986322333e-002 23724159 CC(C1=NC2=CC(=C(C=C2N1CCOCCO)N3CCCCC3)Cl)NC4=NC(=CS4)C5=CC=C(C=C5)Cl 1 5.83 5 2 0 -5.09118932835917e-003 23724158 C1=CC=C2C(=C1)N=C(N2CCOCCO)C(CO)NC3=NC(=CS3)C4=CC(=C(C(=C4)Cl)N)Cl 1 3.116 5 3 0 -3.48108482314067 23724157 C1=CC(=CC=C1C2=CSC(=N2)NCCC3=NC4=C(N3CCCO)C=CC(=C4)C(F)(F)F)F 1 4.527 4 1 8.69401361556927 23724156 C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)C4CCCN4C5=NC(=CS5)C6=CC=C(C=C6)F)CCCO)Cl 1 5.883 5 1 2.63934220080198 23724155 CCOC(=O)N1CCN(CC1)CC(=O)NC2=NN=C(S2)C(F)(F)F 1 0.988 5 3 0 -9.64676783724364 23724154 CC(C1=NC2=C(N1CCCO)C=CC(=C2)C(F)(F)F)NC3=NC(=CS3)C4=CC=C(C=C4)F 1 4.763 4 1 6.21282953184716 23724153 CC1=CC=C(C=C1)CN2C3=CC(=C(C=C3N=C2C(C)NC4=NC(=CS4)C5=CC=C(C=C5)F)Cl)Cl 1 7.696 4 0 1.27242096010435 23724152 CC(C1=NC2=C(N1CCOCCO)C=CC(=C2)C(F)(F)F)NC3=NC(=CS3)C4=CC=C(C=C4)F 1 4.57 4 2 3.81840046837041 23724151 CC1=CC=C(C=C1)CN2C3=CC(=C(C=C3N=C2CCNC4=NC(=CS4)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])Cl)Cl 1 7.814 5 2 0 -1.66149684199654 23724150 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=NN=C(S3)C(F)(F)F 1 2.32 5 1 -5.11742845509718 23724149 CCOC(=O)N1CCN(CC1)C(=O)C(C(C)C)NC(=O)C2=CC=CO2 1 1.235 3 5 0 -17.0895792061101 23724148 CC1=CC=C(C=C1)C2=CSC(=N2)NC(CO)C3=NC4=CC=CC=C4N3CCOCCO 1 3.02 4 3 0 -0.942778702530805 23724147 C1=CC=C2C(=C1)N=C(N2CCOCCO)C(CO)NC3=NC(=CS3)C4=CC(=CC=C4)Br 1 3.282 4 3 0 0.988892550769591 23724146 C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)C4CCCN4C5=NC(=CS5)C6=CC(=C(C(=C6)Cl)N)Cl)CCOCCO)Cl 1 6.066 6 2 0 -4.18359882919316 23724145 CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NCCCO)N=C2C4CCCN4C5=NC(=CS5)C6=CC=C(C=C6)F 1 5.417 5 2 0 -4.44933878579903 23724144 CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NCCCO)N=C2CCNC4=NC(=CS4)C5=CC=C(C=C5)OC 1 4.641 5 3 0 -4.30219539472041 23724143 C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)C4CCCN4C5=NC(=CS5)C6=CC=C(C=C6)Cl)CCCO)Cl 1 6.342 5 1 2.93333486440507 23724142 COC1=CC=C(C=C1)C2=CSC(=N2)NCCC3=NC4=CC(=C(C=C4N3CCOCCO)N5CCCCC5)Cl 1 4.913 5 3 0 1.12829994481632 23724141 C1CC(N(C1)C2=NC(=CS2)C3=CC(=C(C(=C3)Cl)N)Cl)C4=NC5=CC(=C(C=C5N4CCCO)Cl)Cl 1 5.844 5 1 -1.65421856334806 23724140 CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2C4CCCN4C5=NC(=CS5)C6=CC=C(C=C6)F 1 7.628 4 0 6.55947220908886 23724139 CC1=CC=C(C=C1)CN2C3=CC(=C(C=C3N=C2C(C)NC4=NC(=CS4)C)Cl)Cl 1 5.827 4 0 -5.31267973350722 23724138 C1=CC=C(C(=C1)C2=CSC(=N2)NC(CO)C3=NC4=CC=CC=C4N3CCOCCO)Br 1 3.282 4 3 0 -2.63906932928609 23724137 C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)C4CCCN4C5=NC(=CS5)C6=CC(=C(C(=C6)Cl)N)Cl)CCCO)Cl 1 6.259 6 1 0 -1.78916976571641 23724136 CC1=CSC(=N1)NC(C)C2=NC3=C(N2CCOCCO)C=CC(=C3)C(F)(F)F 1 2.7 4 2 -2.29962996484452 23724135 C1=CC(=CC=C1C2=CSC(=N2)NCCC3=NC4=C(N3CCOCCO)C=CC(=C4)C(F)(F)F)F 1 4.334 4 2 6.29958455209252 23724134 CC1=CSC(=N1)N2CCCC2C3=NC4=C(N3CCOCCO)C=CC(=C4)C(F)(F)F 1 3.018 4 2 -0.631666086960208 23724133 CC1=CC=C(C=C1)CN2C3=CC(=C(C=C3N=C2C4CCCN4C5=NC(=CS5)C6=CC=C(C=C6)F)Cl)Cl 1 8.014 4 0 2.4357415453544 23724132 C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)CCNC4=NC(=CS4)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])CCOCCO)Cl 1 5.489 6 4 0 -2.35604428309278 23724131 CC1=CSC(=N1)N2CCCC2C3=NC4=CC(=C(C=C4N3CCOCCO)N5CCCCC5)Cl 1 3.82 5 2 0 -5.24455553614393 23724130 C1CN(CCN1CC2=CNC3=CC=CC=C32)C4=CC=CC=C4Cl 1 4.49 3 0 7.24840357998139 23724129 CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NCCCO)N=C2C4CCCN4C5=NC(=CS5)C6=CC(=C(C(=C6)Cl)N)Cl 1 5.793 6 2 0 -7.83935983609579 23724128 CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NCCCO)N=C2C(C)NC4=NC(=CS4)C5=CC=C(C=C5)OC 1 4.877 5 3 0 -6.39628990024131 23724127 CC1=CC=C(C=C1)C2=CSC(=N2)NCCC3=NC4=CC(=C(C=C4N3CCOCCO)Cl)Cl 1 5.001 4 2 1.46397686289281 23724126 C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)CCNC4=NC(=CS4)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])CCCO)Cl 1 5.682 6 3 0 3.83847803839692e-002 23724125 CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2C(C)NC4=NC(=CS4)C5=CC=C(C=C5)F 1 7.31 4 0 5.3961516238388 23724124 C1=CC(=CC=C1C2=CSC(=N2)NCCC3=NC4=C(N3CCCO)C=CC(=C4)C(F)(F)F)Cl 1 4.986 4 1 10.0829089467537 23724123 COC1=CC=C(C=C1)C2=CSC(=N2)NC(CO)C3=NC4=CC=CC=C4N3CCOCCO 1 2.517 4 4 0 -1.2847019630399 23724122 C1CC(N(C1)C2=NC(=CS2)C3=CC=C(C=C3)F)C4=NC5=CC(=C(C=C5N4CCOCCO)Cl)Cl 1 5.274 4 2 0.37986433969358 23724121 CS(=O)(=O)NNC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3Cl 1 1.756 6 4 0 -5.74636278435091 23724120 CC1=CC=C(C=C1)C2=CSC(=N2)NCCC3=NC4=CC(=C(C=C4N3CCCO)Cl)Cl 1 5.194 4 1 3.85840592636957 23724119 CC(C1=NC2=CC(=C(C=C2N1CCCO)N3CCCCC3)Cl)NC4=NC(=CS4)C5=CC=C(C=C5)OC 1 5.343 5 2 0 0.970501975935913 23724118 CC1=CSC(=N1)NC(C)C2=NC3=CC(=C(C=C3N2CCCO)Cl)Cl 1 3.28 4 1 -4.38313914818314 23724117 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C(CO)NC4=NC(=CS4)C5=CC(=C(C=C5)Cl)[N+](=O)[O-] 1 5.833 5 3 0 -1.47782038895963 23724116 C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)C4CCCN4C5=NC(=CS5)C6=CC=C(C=C6)F)CCCOCO)Cl 1 5.734 5 2 0 -0.192198055086454 23724115 C1CC(N(C1)C2=NC(=CS2)C3=CC=C(C=C3)F)C4=NC5=CC(=C(C=C5N4CCCO)Cl)Cl 1 5.468 4 1 2.77429340317033 23724114 CC(C1=NC2=CC(=C(C=C2N1CCOCCO)Cl)Cl)NC3=NC(=CS3)C4=CC=C(C=C4)OC 1 4.734 4 3 0 -1.35913048133839 23724113 CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NCCCO)N=C2CCNC4=NC(=CS4)C5=CC(=C(C=C5)Cl)[N+](=O)[O-] 1 5.216 6 4 0 -6.3409896118772 23724112 CC1=CSC(=N1)NC(CO)C2=NC3=CC=CC=C3N2CCOCCO 1 0.87 4 3 0 -6.62770577634332 23724111 C1CC(N(C1)C2=NC(=CS2)C3=CC=C(C=C3)F)C4=NC5=C(N4CCCO)C=CC(=C5)C(F)(F)F 1 5.081 4 1 6.89802406690479 23724110 CC(C1=NC2=CC(=C(C=C2N1CCOCCO)N3CCCCC3)Cl)NC4=NC(=CS4)C5=CC=C(C=C5)F 1 5.371 5 2 0 -0.299083852931449 23724109 C1CC(N(C1)C2=NC(=CS2)C3=CC=C(C=C3)Cl)C4=NC5=CC(=C(C=C5N4CCCO)Cl)Cl 1 5.927 4 1 3.06828606677342 23724108 COC1=CC=C(C=C1)C2=CSC(=N2)NC(CO)C3=NC4=CC=CC=C4N3CCCO 1 2.711 4 3 0 1.03868415180181 23724107 C1=CC=C2C(=C1)N=C(N2CCOCCO)C(CO)NC3=NC(=CS3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 3.093 5 5 0 -3.66615128752381 23724106 C1=CC=C2C(=C1)N=C(N2CCOCCO)C(CO)NC3=NC(=CS3)C4=CC=C(C=C4)Cl 1 3.198 4 3 0 0.879219988056013 23724105 COC1=CC=C(C=C1)C2=CSC(=N2)NCCC3=NC4=CC(=C(C=C4N3CCCO)Cl)Cl 1 4.692 4 2 3.44543971722543 23724104 CC1=CC=C(C=C1)CN2C3=CC(=C(C=C3N=C2C4CCCN4C5=NC(=CS5)C6=CC(=C(C(=C6)Cl)N)Cl)Cl)Cl 1 8.391 5 0 -1.91733650414591 23724103 C1=CC=C2C(=C1)N=C(N2CCOCCO)C(CO)NC3=NC(=CS3)C4=CC=C(C=C4)F 1 2.739 4 3 0 -0.230901677065553 23724102 CC(C1=NC2=C(N1CCOCCO)C=CC(=C2)C(F)(F)F)NC3=NC(=CS3)C4=CC=C(C=C4)OC 1 4.348 4 3 0 3.0433738484589 23724101 C1CC(N(C1)C2=NC(=CS2)C3=CC=C(C=C3)Cl)C4=NC5=C(N4CCCO)C=CC(=C5)C(F)(F)F 1 5.54 4 1 8.28691939808919 23724100 C1=CC(=C(C=C1C2=CSC(=N2)NCCC3=NC4=C(N3CCCO)C=CC(=C4)C(F)(F)F)[N+](=O)[O-])Cl 1 4.88 5 3 0 5.39769976695221 23724099 CC(C1=NC2=CC(=C(C=C2N1CCCO)N3CCCCC3)Cl)NC4=NC(=CS4)C5=CC=C(C=C5)F 1 5.565 5 1 2.0953452105453 23724098 CC(C1=NC2=CC(=C(C=C2N1CCCO)Cl)Cl)NC3=NC(=CS3)C4=CC=C(C=C4)OC 1 4.928 4 2 0.964255633503314 23724097 C1CC(N(C1)C2=NC(=CS2)C3=CC=C(C=C3)F)C4=NC5=C(N4CCOCCO)C=CC(=C5)C(F)(F)F 1 4.888 4 2 4.50359500342804 23724096 CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NCCCO)N=C2CCNC4=NC(=CS4)C5=CC=C(C=C5)C 1 5.143 5 2 0 -4.71554812779382 23724095 CC1=CSC(=N1)N2CCCC2C3=NC4=CC(=C(C=C4N3CCCO)N5CCCCC5)Cl 1 4.013 5 1 -2.85012647266718 23724094 CC(C)C(C)N(CC1=CC=CC(=C1)C(=O)O)C(=O)C2=NC3=CC=CC=C3C=C2 1 4.641 2 3 -6.08224986912743 23724093 CC(C1=NC2=CC(=C(C=C2N1CCOCCO)Cl)Cl)NC3=NC(=CS3)C4=CC=C(C=C4)F 1 4.956 4 2 -0.305330195364048 23724092 CC(C1=NC2=CC(=C(C=C2N1CCCO)Cl)Cl)NC3=NC(=CS3)C4=CC=C(C=C4)F 1 5.15 4 1 2.0890988681127 23724091 C1=CC(=C(C=C1C2=CSC(=N2)NCCC3=NC4=CC(=C(C=C4N3CCCO)Cl)Cl)[N+](=O)[O-])Cl 1 5.267 5 3 0 3.21384379513699e-002 23724090 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C(CO)NC4=NC(=CS4)C5=CC=C(C=C5)F 1 5.479 4 1 1.95742922149863 23724089 C1=CC=C2C(=C1)N=C(N2CCCO)C(CO)NC3=NC(=CS3)C4=CC=C(C=C4)Cl 1 3.392 4 2 3.27364905153277 23724088 CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NCCCO)N=C2C(C)NC4=NC(=CS4)C5=CC=C(C=C5)Cl 1 5.558 5 2 0 -4.16132500051035 23724087 CC(C1=NC2=CC(=C(C=C2N1CCOCCO)N3CCCCC3)Cl)NC4=NC(=CS4)C5=CC=C(C=C5)OC 1 5.149 5 3 0 -1.35288413890579 23724086 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C(CO)NC4=NC(=CS4)C5=CC=C(C=C5)OC 1 5.257 4 2 0.832585986889238 23724085 C1=CC(=CC=C1C2=CSC(=N2)NCCC3=NC4=CC(=C(C=C4N3CCOCCO)Cl)Cl)Cl 1 5.179 4 2 2.46984655196116 23724084 CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NCCCO)N=C2C(C)NC4=NC(=CS4)C5=CC=C(C=C5)F 1 5.099 5 2 0 -5.27144666563192 23724083 CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2C(C)NC4=NC(=CS4)C5=CC(=C(C=C5)Cl)[N+](=O)[O-] 1 7.663 5 2 0 2.09983777522174 23724082 CC1=CSC(=N1)NC(C)C2=NC3=CC(=C(C=C3N2CCOCCO)N4CCCCC4)Cl 1 3.502 5 2 0 -6.77132186922729 23724081 CC1=CC(=O)N2C(=N1)N=C(N2)NC3=CC(=CC=C3)Cl 1 1.399 5 1 0 0.889605666090908 23724080 CC(C)CN1CCN(CC1CCO)CC2=CN(C3=CC=CC=C32)C 1 3.103 3 1 1.33935321462149 23724079 COC1=CC=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCCCC(=O)OC 1 2.783 2 5 0 -19.4753929230659 23724078 CCOC(=O)C1(CCCN(C1)C(=O)C=C(C)C)CC2=CC=CC=C2 1 3.842 1 3 -2.5198571337347 23724077 CCOC(=O)C1(CCCN(C1)C(=O)CSC)CC2=CC=CC=C2C 1 3.263 1 3 -8.70591538173845 23724076 C1CC(CN(C1)C(=O)C2=CC3=CC=CC=C3O2)CCC(=O)NCC4=CC(=C(C=C4)F)F 1 4.282 2 3 -13.2330586071484 23724075 CN(C)CCN(CC1CCCN(C1)CC2=CC=CC=C2F)C(=O)CC3=CC=C(C=C3)OC 1 3.884 3 2 -6.95991684219772 23724074 C1CN(C(CN1CC2=CC=C(C=C2)F)CCO)CCCC3=CC=CC=C3 1 3.979 2 1 7.44334412385354 23724073 COC1=CC=CC(=C1)CC2(CCCN(C2)CC3=CC=C(C=C3)OC(F)F)CO 1 4.6 1 3 18.5034794591885 23724072 C1CN(C(CN1CC2=CC=C(C=C2)OCCO)CCO)CCCC3=CC=CC=C3 1 3.217 2 3 5.86590686298838 23724071 CC1=C(NC2=C1C=CC=C2Cl)CN3CCN(C(C3)CCO)C 1 2.934 3 1 17.6733565296067 23724070 CSCCC(=O)N1CCCC(C1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.509 3 1 2.08680569363024 23724069 CCCC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCN(CC3)CC(=O)NC(C)C 1 3.467 3 3 -3.08205386770964e-002 23724068 COC1=CC=CC=C1C(=O)C2CCCN(C2)CC3=CC=C(C=C3)C(=O)OC 1 3.753 1 4 1.26625532406266 23724067 C1CC(CN(C1)CC2=CC(=CC=C2)F)CNC(=O)C3=CC=CC4=CC=CC=C43 1 4.43 2 1 0.478464061465254 23724066 CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)CC4=CC(=C(C=C4)O)OC 1 4.389 3 2 14.3463958407704 23724065 CC1=CC=CC=C1N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)CCC(F)(F)F 1 4.392 3 1 -21.3981073876008 23724064 C=CCC(=O)N1CCCC(C1)(CC2=C(C=C(C=C2)F)F)CO 1 2.631 1 2 0.806121318710557 23724063 CCOC(=O)C1(CCCN(C1)C(=O)CCC=C)CC2=CC(=CC=C2)Cl 1 4.149 1 3 -2.36827807301967 23724062 CCOC(=O)C1(CCN(CC1)C(C)CSC)CCOC2=CC=CC=C2 1 3.806 1 3 -0.876863637790233 23724061 COC(=O)CCCNC(=O)CCC1=NN=C(O1)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.608 3 4 0 -24.5655732518932 23724060 C1CC(CN(C1)CCCC(F)(F)F)(CCC2=CC=CC=C2)CO 1 4.268 1 1 12.7624707978447 23724059 CN1CCN(CC1CCO)CC2=C3C=CC=NC3=CC=C2 1 1.598 3 1 0 7.14160635317912 23724058 COC1=C(C(=C(C=C1)C(=O)NC2CCCN(C2)CC3=CC=CC=C3F)OC)OC 1 3.406 2 4 -3.49938023304982 23724057 CC1=C(C=CC(=C1C)OC)CN2CCN(CC2CCO)CC3CC3 1 3.188 2 2 5.63528886818304 23724056 CCOC1=CC=C(C=C1)CN2CCN(CC2CCO)C3CCC3 1 2.69 2 2 3.54033366806984 23724055 COC1=CC=C(C=C1)CC(=O)NCC2CCCN(C2)CC3=CC=CC=C3OC 1 3.318 2 3 -7.69596021957863 23724054 C1CC(CN(C1)CC2=CC(=C(C=C2)F)F)(CC3=CC(=CC=C3)Cl)CO 1 4.886 1 1 19.6433543971863 23724053 COC1=CC(=C(C=C1)C(=O)NC2CCCN(C2)CC3=CC=C(C=C3)Cl)OC 1 3.881 2 3 1.41063753833754 23724052 CN(CC1CCCN(C1)CCC2=CC(=CC=C2)C(F)(F)F)CC3=CC(=C(C=C3)O)OC 1 5.186 2 2 17.9572621899131 23724051 CC(C)N(CCOC)CC1=CN(N=C1C2=CC=C(C=C2)OC3=CC=CC=C3)C 1 4.656 3 2 11.091870598696 23724050 CN(CC1CCCN(C1)CCC2=CC=C(C=C2)F)CC3=CC(=C(C=C3)OC)OC 1 4.675 2 2 9.08085376999129 23724049 C=CCN(CC#C)C(=O)C1=CC2=C(C=C1)N=C(O2)C3CCCCC3 1 4.965 2 2 -14.6031596317439 23724048 C1CN(C(CN1CC2=CC=C(C=C2)C#CCCO)CCO)CCC3=CC=CC=C3 1 3.624 2 2 10.9498738660822 23724047 CCOC1=CC=CC=C1CN2CCN(CC2CCO)CCCC3=CC=CC=C3 1 4.105 2 2 1.31143919075263 23724046 CC1=C(C2=C(C=C1)C(=C(O2)C(=O)NCC(COC3=CC=CC(=C3)OC)O)C)C 1 4.196 1 5 6.39759655801576 23724045 CCOC(=O)CCNC(=O)N1CCCC(C1)C(=O)C2=CC(=CC=C2)OC(C)C 1 2.6 2 5 0 -15.5758205956069 23724044 CCOC(=O)CN(C)CC1=CN(N=C1C2=CC=C(C=C2)OC3=CC=CC=C3)C 1 4.116 3 3 6.60186616197765 23724043 CC(C)N1CCN(CC1CCO)CC2=CC3=CC=CC=C3N2 1 2.51 3 1 6.49265289052982 23724042 CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCCC(C2)N3CCOCC3 1 2.899 2 3 -4.0929062899038 23724041 C1CC(CN(C1)C(=O)CCC(F)(F)F)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.88 3 1 0.133665516411855 23724040 COCCNC(=O)CCC1CCN(CC1)CC2=CC=C(C=C2)C3=CC=CC=C3 1 3.673 2 2 -8.93617314878546 23724039 CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)C(=O)NCC=C 1 2.913 2 3 -11.0456709286806 23724038 CN(C1CCCN(C1)CC2=CC=CC=C2F)C(=O)C3=CC(=CC=C3)OCC=C 1 4.261 2 2 -9.39619910907955 23724037 CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C=C2)OC)COC)CCOC3=CC=CC=C3 1 4.186 1 5 5.5545389558568 23724036 CCC1=CC=C(C=C1)CN2CCCC(C2)CNC(=O)C3=C(C(=CC=C3)OC)OC 1 4.225 2 3 -5.91129406090541 23724035 CCOC1=CC=CC=C1CN2CCN(CC2CCO)CC3=NC4=C(C=CC=C4OC)C=C3 1 3.713 3 3 -1.09549143161855 23724034 COC1=CC=CC(=C1)CN2CCN(CC2CCO)CC#CC3=CC=CC=C3 1 3.57 2 2 7.09005789204648 23724033 CC(CCCC(C)(C)O)NC(=O)C1=CC(=C(C=C1)OC)OC2CCN(CC2)C(=O)C 1 1.894 2 5 0 -25.9107855799392 23724032 CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCN(CC3)C4=CC=CC(=N4)C 1 4.111 3 2 12.3573195059246 23724031 C1CC(CN(C1)CC2=CC=CC=C2C(F)(F)F)N3CCN(CC3)C4=CC=CC=C4F 1 5.309 3 0 11.291254191335 23724030 CCOC1=CC2=C(C=C1)N=C(C=C2)CN3CCN(C(C3)CCO)CC4=CC=CC=C4OCC 1 4.062 3 3 3.3391974312996 23724029 CCOC(=O)C1(CCN(CC1)CC2=C(C(=CC=C2)OC)OC)CCOC3=CC=CC=C3 1 4.366 1 5 5.67289628851517 23724028 COC1=CC(=CC(=C1)CN2CCN(CC2CCO)CC3=CNC4=CC=CC=C43)OC 1 3.256 3 3 1.01463466703053 23724027 CC(C)N(CCOC)CC1=C(NN=C1)C2=CC3=C(C=C2)C=C(C=C3)OC 1 3.644 3 2 3.9312619664258 23724026 COCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F 1 2.701 2 3 -14.3361031559593 23724025 CCC(C)CNC(=O)C1=CC(=CC=C1)OC2CCN(CC2)CC(C)(C)C 1 4.246 2 2 -11.2792591288719 23724024 CCOC(=O)C1(CCCN(C1)C(=O)CSC)CC2=CC(=CC=C2)OC 1 2.761 1 4 -7.33351486913403 23724023 CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)CCC(=O)N(C)C 1 1.953 4 2 0 -4.69548075406218 23724022 CC(C)(CNC(=O)C1=CC2=C(C=C1)N=C(O2)CC3=CC(=CC=C3)Cl)CO 1 3.562 2 3 -9.38050243302495 23724021 COC1=CC=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCCSC 1 3.121 2 3 -11.7489621602451 23724020 COC1=CC(=CC(=C1)CN2CCN(CC2CCO)CC3CC3)OC 1 2.2 2 3 -0.5518121305401 23724019 CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3 1 3.447 2 4 -18.1614483078893 23724018 CC1=CC=CC=C1CN2CCN(CC2CCO)CC3=CC4=CC=CC=C4O3 1 3.863 2 2 7.09535853591421 23724017 C1CC(CN(C1)CC2=CC=CC=C2F)NC(=O)CCC(=O)C3=CC=C(C=C3)F 1 3.616 2 2 -4.36652597539766 23724016 CCOC1=C(C=CC(=C1)CN2CCCC(C2)N3CCC4=CC=CC=C4C3)O 1 4.28 2 2 4.28294169842696 23724015 CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)CCC3=CC=CC=C3 1 4.796 1 4 5.54971580634623 23724014 C1CN(CCC1(CC2=CC(=NO2)C3=CC=CC=C3)O)CCCC4=CC=CC=C4 1 4.28 2 2 15.688425230881 23724013 CC(C)N1C=C(C2=CC=CC=C21)CN3CCN(C(C3)CCO)CC=C(C)C 1 4.103 3 1 -3.83962134683448 23724012 CN(CC1CCCN(C1)CCC2=CC(=CC=C2)C(F)(F)F)C(=O)CCC(=O)OC 1 3.192 2 3 -4.26117547517129 23724011 C1CN(CCC1(CCOC2=CC=CC=C2)CO)CC3=C(C=CC(=C3)Cl)O 1 4.012 1 3 19.035662866181 23724010 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)N3CCOCC3 1 1.732 2 4 0 -8.48698343850404 23724009 CCN(CC1CCCN(C1)CCC2=CC(=CC=C2)F)C(=O)CC=C 1 3.465 2 1 -6.77006360185728 23724008 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3 3 -17.5896987478122 23723996 COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CCSC 1 1.408 2 4 0 -17.7389394617812 23723995 CCN(CCO)C(=O)C1=CC2=C(C=C1)N=C(O2)CC3=CC=C(C=C3)OC 1 2.522 2 4 -8.0705433888559 23723994 COC(=O)CCCC(=O)N1CCCC(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.636 1 4 -8.51403563779196 23723993 CC1=C(OC2=C1C=CC=C2F)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.548 3 2 9.92172672309256 23723992 CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C=C2)OC)O)CCOC3=CC=CC=C3 1 4.14 1 5 11.0179254728085 23723991 CC1=C(C=CC(=C1)CN2CCN(CC2CCO)CC3=CNC4=CC=CC=C43)OC 1 3.759 3 2 5.38352852234896 23723990 CCOC(=O)C1(CCCN(C1)CC2=CC(=C(C(=C2)OC)O)OC)CC3=CC(=CC=C3)OC 1 4.328 1 6 0 5.7289871166914 23723989 CN(CC1CCCN(C1)CCC2=CC=C(C=C2)Cl)C(=O)CC(F)(F)F 1 3.966 2 1 0.311336236828475 23723988 CC1=CC=CC=C1CC2(CCCN(C2)C(=O)CC3=C(C=CC(=C3F)F)F)CO 1 4.289 1 2 1.67983533806496 23723987 CC(C)OCCCNC(=O)C1=CC(=C(C=C1)OC)OC2CCN(CC2)C(=O)C 1 1.033 2 5 0 -21.6979487263824 23723986 CC1=C(C(=NN1C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3)C)Cl 1 2.783 4 1 -4.37240483225419 23723985 CN(C1CCCN(C1)CC2=CC=CC=C2F)C(=O)C3=CC=NC=C3 1 2.51 3 1 -3.7237133815616 23723984 CN(C)S(=O)(=O)NCC1CCCN(C1)CC2=CC=C(C=C2)C3=CC=CC=C3 1 2.551 3 2 0.152834820560661 23723983 CC(=C)CNC(=O)C1=CC=C(C=C1)OC2CCN(CC2)C(=O)COC 1 1.191 2 4 0 -17.9061348255523 23723982 CCOC(=O)C1(CCN(CC1)C/C=C/C2=CC=CC=C2OC)CCOC 1 3.087 1 4 6.62613354692641 23723981 CN(C)S(=O)(=O)N1CCCC(C1)N(C)CCC2=CC(=C(C=C2)OC)OC 1 1.461 3 4 0 -20.2904801428402 23723980 COC1=CC=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCC=C 1 3.124 2 3 -13.4334562971396 23723979 COCCC(=O)N1CCCC(C1)C(=O)C2=CC=CC=C2SC 1 2.117 1 3 -15.1699302401422 23723978 CCOC(=O)C1(CCN(CC1)CC2=CC(=CC=C2)OC)CCOC3=CC=CC=C3 1 4.382 1 4 7.38494490941373 23723977 CCOC(=O)C1(CCN(CC1)C(=O)CCSC)CCOC2=CC=CC=C2 1 2.804 1 4 -5.2586513815094 23723976 COC1=CC(=C(C=C1)C(=O)C2CCCN(C2)CC3=C(C=CC(=C3)Cl)O)OC 1 4.304 1 4 11.7047336947562 23723975 CC(C)N1CCN(CC1CCO)CC2=CNC3=CC=CC=C32 1 2.432 3 1 0.702299189886706 23723974 C1CN(C(CN1CC2=COC3=CC=CC=C3C2=O)CCO)CC4=CC=CC=C4F 1 2.719 2 3 -1.13440798680914 23723973 CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)OC)CCOC3=CC=CC=C3 1 4.382 1 4 7.78696171110565 23723972 CN(CC1CCCN(C1)CCC2=CC=CC=C2OC)CC3=CC=C(C=C3)OCCO 1 3.93 2 3 9.14952896739118 23723971 COC1=CC(=CC(=C1)C(=O)NCC2CCCN(C2)CC3=CC=C(C=C3)SC)OC 1 3.825 2 3 -2.7915631601704 23723970 CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2O)CCOC3=CC=CC=C3 1 4.156 1 4 10.2678888189505 23723969 CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C=C2Cl)O)OC)CCOC3=CC=CC=C3 1 4.804 1 5 10.3495452893491 23723968 CC(=O)N1CCC(CC1)OC2=C(C=CC(=C2)C(=O)NCC(CC=C)(CC=C)O)OC 1 1.597 2 5 0 -28.2105612921131 23723967 CCN(CC1CCCN(C1)CCC2=CC(=CC=C2)OC)CC3=CC=C(C=C3)NC(=O)C 1 3.955 3 2 5.62970157001236 23723966 CCCC(=O)N1CCCC(C1)C(=O)C2=CC(=CC=C2)OC(C)C 1 3.424 1 3 -9.64050490989512 23723965 CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2OC)CCOC3=CC=CC=C3 1 4.382 1 4 4.61858989988367 23723964 CC1=CC=CC=C1CCN2CCCC(C2)CN(C)CC3=CC(=CC=C3)OC 1 4.972 2 1 12.148928544081 23723963 CCOC(=O)C1(CCN(CC1)C(C)CSC)CCC2=CC=CC=C2 1 4.349 1 2 -0.397361396178463 23723962 CCN(CC)CC(=O)NC1CCCC2=C1C=NN2C3=CC(=CC(=C3)F)F 1 3.184 4 1 -2.52819426726648 23723961 COC(=O)CCC(=O)N1CCCC(C1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 2.85 3 3 -2.38884916467065 23723960 CCOC1=CC=CC(=C1O)CN2CCCC(C2)N3CCC4=CC(=C(C=C4C3)OC)OC 1 4.247 2 4 0.212078801740145 23723959 CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)O)CCOC3=CC=CC=C3 1 4.156 1 4 10.0993940461072 23723958 CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C=C2)O)OC)CCOC3=CC=CC=C3 1 4.14 1 5 9.36666891809802 23723957 CC(=O)C1=CC(=CC=C1)CN2CCCC(C2)N3CCC4=CC(=C(C=C4C3)OC)OC 1 3.897 2 3 -3.4820795713499 23723956 CCOC1=C(C=C(C=C1)CN2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC)CO 1 4.126 1 5 6.90407968321396 23723955 CCOC(=O)C1(CCCN(C1)S(=O)(=O)CC)CC2=CC=CC=C2C 1 2.922 1 4 -11.4406041798655 23723954 CCOC(=O)CCNC(=O)N1CCC(CC1)(CCOC2=CC=CC=C2)C(=O)OCC 1 2.375 2 6 0 -9.72024968096081 23723953 COC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)(CC3=CC(=CC=C3)OC)CO)OC 1 2.67 1 6 0 -2.81496263141075 23723952 COC1=CC=C(C=C1)CC(=O)NCC2CCCN(C2)CC3=CC(=CC=C3)C(F)(F)F 1 4.276 2 2 -1.39478290485399 23723951 COC1=CC=C(C=C1)CC(=O)NCC2CCCN(C2)CC3=CC(=CC(=C3)OC)OC 1 3.301 2 4 -8.34787075111866 23723950 CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C=C2OC)OC)OC)CCC3=CC=CC=C3 1 4.892 1 5 3.59810539173615 23723949 CCCCNC(=O)N1CCC(CC1)CCC(=O)N(C)CC2=CC=CC=C2 1 3.075 3 2 -19.7983752932985 23723948 COC1=CC=CC(=C1)CNC(=O)CC2C(=O)NCCN2CCCC3=CC=CC=C3 1 2.569 3 3 -33.3677316458868 23723947 CCN(CC1CCCN(C1)CCC2=CC(=CC=C2)OC)CC3=C(C(=CC=C3)OCC)O 1 4.925 2 3 11.5718955923064 23723946 CCOC(=O)CCNC(=O)N1CCCC(C1)C(=O)C2=CC(=C(C(=C2)C)OC)C 1 2.847 2 5 0 -13.2248959535413 23723945 COC1=CC(=C(C=C1)O)CN2CCCC(C2)N3CCC4=CC=CC=C4C3 1 3.931 2 2 7.17455237755091 23723944 CN(CC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)CNC(=O)CCCC(=O)OC 1 3.487 2 3 -15.848027727688 23723943 CN(CC1CCCN(C1)CCC2=CC=C(C=C2)OC)CC3=CC(=C(C(=C3)OC)OC)OC 1 4.437 2 4 9.44715704424423 23723942 CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(CCCC3=CC=CC=C3)CO 1 3.158 1 5 -8.52885722203898 23723941 CC(C)(C)CN1CCN(CC1CCO)CC2=CN=CC=C2 1 1.727 3 1 0 0.46342796749376 23723940 CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C#CCCO)CCOC3=CC=CC=C3 1 4.706 1 4 13.0466048750908 23723939 CCOCCCNC(=O)C1=CC(=C(C=C1)OC2CCN(CC2)C(=O)C)OC 1 0.656 2 5 0 -21.0766231585676 23723938 CCC1=CC=C(C=C1)CN2CCCC(C2)CNC(=O)C3=CC(=CC(=C3)OC)OC 1 4.225 2 3 -5.65281821452613 23723937 CC(C)NC(=O)C1=CC2=C(C=C1)N=C(O2)CC3=CC=C(C=C3)OC 1 3.233 2 3 -14.3479234253933 23723936 C1=CC(=CC(=C1)Cl)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCCO 1 2.648 2 3 -8.0304582991192 23723935 COC1=CC=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCCC(=O)OC 1 2.462 2 5 0 -16.1343702278493 23723934 CC(C)(CNC(=O)C1=CC2=C(C=C1)N=C(O2)CC3=CC=C(C=C3)OC)OC 1 2.958 2 4 -9.44632642108524 23723933 CC1=C(C=CC(=C1)C(=O)N(C)CC2CCN(CC2)CCC3=CC(=CC=C3)C(F)(F)F)OC 1 5.249 2 2 6.65220417830298 23723932 CCOC(=O)CNC(=O)N1CCCC(C1)(CC2=CC=CC=C2)C(=O)OCC 1 2.348 2 5 0 -8.61920903945767 23723931 COC1=CC=C(C=C1)CC(=O)NCC2CCCN(C2)CC3=C(C=C(C=C3)OC)F 1 3.523 2 3 -4.83364195720644 23723930 CN(C)S(=O)(=O)N1CCCC(C1)N(C)CCC2=CC=CC=C2 1 1.494 3 2 0 -16.6942141101066 23723929 CCOC(=O)CNC(=O)N1CCCC(C1)N(C)CCC2=CC=CC=C2 1 2.164 3 3 -15.2825945937038 23723928 CC(=O)NC1=CC=C(C=C1)CN(C)CC2CCCN(C2)CCC3=CC(=CC=C3)C(F)(F)F 1 4.565 3 1 11.009570887867 23723927 CCN(CC1CCCN(C1)CCC2=CC(=CC=C2)OC)CC3=CC=CC=C3OC 1 4.818 2 2 9.23365724614916 23723926 CN1CCN(CC1CCO)CC#CC2=CC=CC=C2 1 2.003 2 1 8.31867728414308 23723925 CN(CC1CCCN(C1)CCC2=CC=CC=C2F)CC3=CC(=C(C(=C3)Cl)OC)OC 1 5.339 2 2 12.0645489754302 23723924 CC(=O)N1CCC(CC1)OC2=C(C=C(C=C2)C(=O)N(CC=C)CC=C)OC 1 1.815 2 4 0 -21.1524684100736 23723923 CC1=C(C2=C(C=C1)C(=C(O2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)O)C)C 1 4.17 1 3 12.0564240887198 23723922 CN(C1CCCN(C1)CC2=CC=CC=C2F)C(=O)CCC3=CC=CC=C3F 1 4.357 2 1 -6.13464903141877 23723921 COC1=CC=CC(=C1OC)C(=O)NCC2CCCN(C2)C3CCCCC3 1 3.558 2 3 -7.02891403194709 23723920 CC1=CC=C(O1)C2=CC(=CC=C2)CN3CCC(CC3)CCC(=O)NCCOC 1 3.213 2 3 -6.56406657352357 23723919 CN(CC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)CNC(=O)CCC(F)(F)F 1 4.338 2 1 -10.2489159990491 23723918 C=CCOC1=CC=CC=C1CN2CCN(C(C2)CCO)CCC3=CC=CC=C3 1 3.917 2 2 -0.73137698910327 23723917 C1=CC=C(C(=C1)CCNC(=O)CCC2=NN=C(O2)CC3=CC(=CC=C3)C(F)(F)F)F 1 3.9 3 2 -21.7364426060951 23723916 CCCCNC(=O)N1CCCC(C1)C(=O)C2=CC(=C(C(=C2)C)OC)C 1 3.871 2 3 -8.7564345861906 23723915 CN(C1CCCN(C1)CC2=CC=CC=C2F)C(=O)C3=C(C=CC(=C3)OC)OC 1 3.628 2 3 -5.74021182344615 23723914 CC(C)(C)CN1CCC(CC1)OC2=CC=CC(=C2)C(=O)N(CC=C)CC=C 1 4.037 2 2 -15.7300709851379 23723913 CC1=CC=CC=C1N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)CC=C 1 3.746 3 1 -19.7390993406887 23723912 COC1=CC(=C(C=C1)CN2CCN(CC2CCO)C3CCC3)F 1 2.547 2 2 4.8789993709308 23723911 CC(=O)N1CCCC(C1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 2.779 3 1 8.87721965817375 23723910 CCN(CC1CCCN(C1)CCC2=CC(=CC=C2)OC)CC3=CC(=C(C=C3)OC)COC 1 4.622 2 3 8.93403575872675 23723909 CN(CC1=CC=CC=C1)CC2=NC(=NO2)C3=C(C(=C(C=C3)OC)OC)OC 1 3.021 3 4 0 -2.43007177166131 23723908 CN(C)S(=O)(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)N(C)CC(=O)OC 1 -0.314 3 6 0 -27.1736470667915 23723907 CC1=C(OC2=C1C=CC=C2F)C(=O)N3CCC(C3)COC 1 2.499 1 3 6.84680133016089 23723906 CN(C1CCCN(C1)CC2=CC=CC=C2F)C(=O)CC3=CC4=C(C=C3)OCO4 1 3.464 2 3 -5.0674368514452 23723905 CC(C)(C)CN1CCN(CC1CCO)CC2=NC(=CS2)C3=CC=C(C=C3)F 1 3.679 3 1 6.98140422786664 23723904 CC(=C)CNC(=O)C1CCC(=O)N(C1)CCCC2=CC=CC=C2 1 2.613 2 2 -20.7915885869353 23723903 CC1=CC=C(C=C1)CN2CCN(CC2CCO)C3CCC3 1 2.844 2 1 4.719523028922 23723902 CSCCC(=O)N1CC[C@H]([C@@H](C1)O)N2CCN(CC2)C3=CC=CC=C3F 1 1.681 3 2 0 -2.53642660032169 23723901 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)N3CCOCC3 1 3.383 2 4 -7.44674174116971 23723900 CC1=C(OC2=C1C=CC=C2F)C(=O)N3CCC[C@H]3C(=O)N 1 1.98 2 3 0 3.79192089299879 23723898 CC1=CC(=C2C(=C1)C=CC3=CC=CC=[N+]32)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.139 1 0 1.54022108663338 23723897 CN1CCN(CC1)C2=C(C=NC3=CC=CC=C32)[N+](=O)[O-].Cl Cl- 1 2.03 4 2 3.70470720381177 23723895 C1=CC=[N+]2C(=C1)C=CC3=C2C=C(C=C3)N.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 2.42 2 0 3.3747318369135 23723894 C1=CC=C2C=C3C(=CC2=C1)NC(=O)C(=N3)N.Cl Cl- 1 1.013 3 1 0 -3.74869878523567 23723892 C1=CC(=CC=C1N/N=C\2/C=CC(=O)C(=C2)C=O)S(=O)(=O)[O-].[Na+] Na+ 1 -0.753 2 5 0 -8.5355319919427 23723891 COC(=O)CCCC(=O)N1CCCC(C1)C(=O)C2=CC=CC=C2SC 1 2.659 1 4 -20.2276085675185 23723890 CCOC(=O)C1(CCCN(C1)C(=O)CCNC(=O)C)CC2=CC(=CC=C2)Cl 1 2.268 2 4 -5.60914605864443 23723888 COC1=CC=C(C=C1)CC(=O)NCC2CCCN(C2)CC3=CC=CC=C3Cl 1 3.998 2 2 -5.26211552327551 23723887 CCOC(=O)C1(CCN(CC1)CC2=C(C(=CC=C2)OC)O)CCOC3=CC=CC=C3 1 4.14 1 5 9.17409990661186 23723886 CC1=[NH+]C(=C2C(=C1)C3=CC=CC=C3N2)C.[Cl-] Cl- 1 3.013 2 0 4.77111713015746 23723885 CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl Cl- 1 3.859 3 2 -1.04681641693586 23723884 CC(CCC1=CC=C(C=C1)OC)N2CCC(CC2)(CC3=CC=CC=C3)CO 1 4.814 1 2 8.67420336608571 23723883 C#CC1=CC=C(C=C1)CN2CCN(C(C2)CCO)CCCC3=CC=CC=C3 1 4.9 2 1 9.46251492784197 23723882 CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C=C2)O)Cl)CCOC3=CC=CC=C3 1 4.821 1 4 12.8894571788854 23723881 C1CN=C(N1)NN=CC2=CC=NC=C2.Cl Cl- 1 -5.7e-002 5 0 0 -5.93953218988115 23723880 C1=CC(=CC=C1C=NN/C(=N/N=CC2=CC=C(C=C2)F)/N)F.Cl Cl- 1 3.125 5 0 1.01003938230544 23723879 CC1=CC(=CC(=C1Cl)C)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl Cl- 1 4.096 3 2 1.12185284441841 23723878 CC(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl Cl- 1 3.653 3 2 0.279416780558308 23723877 CCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl Cl- 1 3.401 3 2 -0.486114949120732 23723876 COCCNC(=O)CCC1CCN(CC1)C/C=C/C2=CC=CC=C2OC 1 2.606 2 3 -11.4520259248029 23723875 CC1=C(NC2=C1C=C(C=C2)F)CN3CC[C@H]([C@@H](C3)O)N4CCN(CC4)C5=CC=CC=N5 1 3.522 5 1 22.8146875802285 23723874 COCCNC(=O)C1=CC(=CC=C1)OC2CCN(CC2)CC3=CC(=CC=C3)SC 1 3.126 2 3 -7.55983091251606 23723873 CC1=C(OC2=C1C=CC=C2F)C(=O)N(CCO)CC3=CC=CC=C3 1 3.574 1 3 6.65753831537329 23723872 COC1=CC=C(C=C1)CC2(CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CO 1 2.889 2 4 -5.53900015445247 23723871 CN(CC1=CC=CC=C1)C(=O)CCC2CCN(CC2)C(=O)CCC(F)(F)F 1 3.129 2 2 -18.7941967473786 23723870 CCCN1CCCC(C1)C(=O)C2=CC(=C(C(=C2)C)OC)C 1 4.159 1 2 4.4756262697002 23723869 C1CCCN(CC1)[C@@H]2CCN(C[C@H]2O)C3CCN(CC3)CC4=CC=CC=C4 1 2.925 3 1 10.5189895733672 23723868 CCNC(=O)N(CCOC)CC1CCCN(C1)C2CC3=CC=CC=C3C2 1 2.496 3 2 -4.34808218488352 23723867 CSCCNC(=O)C1=CC2=C(C=C1)N=C(O2)CC3=CC=CC=C3F 1 3.342 2 2 -12.9844279466784 23723866 CC(C)(C)CN1CCC(CC1)OC2=CC=CC(=C2)C(=O)NCC=C 1 3.214 2 2 -14.4058996320126 23723865 CN(C1CCCCC1)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)COC 1 2.192 2 4 -14.6825055428807 23723864 CCOC(=O)CCNC(=O)N1CCCC(C1)N(C)CCC2=CC=CC=C2 1 2.412 3 3 -18.5973454402173 23723863 CC1=CC=CC=C1N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)CCSC 1 3.743 3 1 -20.9395107481086 23723862 CC(C)[C@@H](C(=O)OC)NC(=O)C1=CC=C(C=C1)OC2CCN(CC2)C(=O)COC 1 1.162 2 6 0 -28.0341037586669 23723861 COC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCN3CCNCC3)C4=CC(=CC=C4)[N+](=O)[O-])/O 1 1.814 4 6 0 -16.1114884559412 23723860 CCOC(=O)C1(CCCN(C1)C(=O)CCC(=O)OC)CC2=CC=CC=C2C 1 2.853 1 5 -12.5007886566119 23723859 COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CSC 1 1.16 2 4 0 -18.3486780965736 23723858 CC(=O)CCC(=O)N1CCCC(C1)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 2.447 3 2 -2.48289363843106e-002 23723857 COC1=CC=CC=C1CN2CCCC(C2)C(=O)C3=CC=CC=C3OC 1 3.882 1 3 1.21188232120116 23723856 CN(CC1CCCN(C1)CCC2=CC=C(C=C2)Cl)CC3=CC(=C(C=C3)OC)OC 1 5.134 2 2 10.1909754351129 23723855 CS(=O)(=O)N1CCC(CC1)OC2=CC=CC(=C2)C(=O)N(CC=C)CC#C 1 2.197 2 4 -31.6997649403646 23723854 COC1=CC=C(C=C1)CC(=O)NCC2CCCN(C2)CC3=CC=C(C=C3)OC(F)(F)F 1 5.454 2 3 -2.23174698354124 23723853 CC1(CC1)C(=O)N2CCC(CC2)(CC3=CC(=CC=C3)C(F)(F)F)CO 1 3.469 1 2 7.19101403409314 23723852 C1CC(CN(C1)CC2=CC=CC=C2F)NC(=O)CCC3=CC(=CC=C3)Cl 1 4.61 2 1 -3.21032314760806 23723851 CC1=CC(=CC(=C1O)C)CN2CCCC(C2)N3CCC4=CC=CC=C4C3 1 4.92 2 1 3.63099241038892 23723850 COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)CC3=C(C=CC=C3OC)O)OC 1 3.623 1 5 6.53333353821896 23723849 CCOC(=O)C1(CCCN(C1)C(=O)C#CC)CC2=CC(=CC=C2)OC 1 3.502 1 4 -5.37572214111591 23723848 CN(CC1CCN(CC1)CCC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=CC=CC=C3 1 4.779 2 1 5.12070652858914 23723847 C1CN(C(CN1CC2=CC3=CC=CC=C3O2)CCO)CC4=CC=C(C=C4)F 1 3.583 2 2 9.45117156502055 23723846 C1CC(CN(C1)CC2=CC(=CC=C2)C(F)(F)F)N3CCN(CC3)C4=CC=CC=C4F 1 5.309 3 0 15.5688896741914 23723845 COC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)CC4=C(C=CC=C4F)F 1 4.556 3 1 6.59535602817135 23723844 COC1=CC=CC(=C1)CC(=O)NC2CCCN(C2)CC3=CC=CC=C3F 1 3.473 2 2 -3.58417096527621 23723843 CC1=C(C=CC(=C1)CN2CCCC(C2)(CC3=CC=C(C=C3)F)CO)OC 1 4.486 1 2 17.9633137254508 23723842 CCOC1=CC=CC=C1CN2CCCC(C2)CNC(=O)CC3=CC=C(C=C3)OC 1 3.666 2 3 -8.3309467194358 23723841 CCOC(=O)C1(CCN(CC1)CC(CO)O)CCC2=CC=CC=C2 1 2.307 1 4 2.24731715766507 23723840 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CN3CCN(CC3)CC4=CC(=CC=C4)Cl 1 4.275 3 2 20.2853334911358 23723839 CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC4=C(C(=CC=C4)OC)O 1 4.906 2 3 13.656732969403 23723838 CC1=CC=C(C=C1)C(=O)N(CCN(C)C)CC2CCCN(C2)CC3=CC=CC=C3OC 1 4.13 3 2 -7.80402296466922 23723837 COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C(=O)CSC)OC 1 2.039 1 4 -12.6596393145824 23723836 C1CC1CN2CCN(C(C2)CCO)CC3=CC(=C(C=C3)F)F 1 2.643 2 1 3.99176354666258 23723835 COC(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)(CCC3=CC=CC=C3)CO 1 3.328 1 4 0.156936138487031 23723834 CC(C)C1=CC=C(C=C1)CN2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCCOC 1 3.779 2 3 -8.73027548134922 23723833 COC1=CC=CC(=C1)C2=NOC(=C2)CC3(CCN(CC3)CCCC4=CC=CC=C4)O 1 4.264 2 3 18.0854690877628 23723832 COC1=CC=CC(=C1)CC(=O)N2CCCC(C2)(CC3=C(C=C(C=C3)F)F)CO 1 3.581 1 3 4.99781856229119 23723831 CC(C)N(CCO)CC1=NC(=NO1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.203 3 2 -5.45063957284622 23723830 COC1=CC(=C(C=C1)C(=O)C2CCCN(C2)CC3=C(C=CC(=C3F)F)F)OC 1 4.498 1 3 4.1096360111365 23723829 CN(CC1=CC=C(C=C1)F)CC2=NC(=NO2)C3=CC=CC=C3 1 3.276 3 1 7.99573231195374 23723828 CN(C1CCCN(C1)CC2=CC=CC=C2F)C(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.612 2 4 -6.12536882284422 23723827 C1CN(C(CN1C/C=C/C2=CC=CO2)CCO)CC3=CC=CC=C3 1 2.859 2 2 5.82377087946939 23723826 CN(C)C(=O)CCC(=O)N(C)CC1CCCN(C1)CCC2=CC=C(C=C2)F 1 2.013 3 2 -2.23499626731448 23723825 CCOC(=O)CNC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3OC 1 2.057 3 5 0 -24.4105325930219 23723824 CCOC1=C(C=CC(=C1)CN2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC)O 1 4.489 1 5 9.09049770701536 23723823 COC1=CC=C(C=C1)CC(=O)NCC2CCCN(C2)CC3=C(C=C(C=C3)F)F 1 3.745 2 2 -3.98848657524858 23723822 C1CC(CN(C1)CC2=CC=C(C=C2)OCCO)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.811 3 2 12.8072576600029 23723821 CSCCCN1CCCC(C1)(CC2=CC=C(C=C2)F)CO 1 3.109 1 1 12.6764324435351 23723820 C1CN(C(CN1CC2=NC3=C(C=CC=C3F)C=C2)CCO)CC4=CC=CC=C4 1 3.602 3 1 2.42025675333862 23723819 COC1=CC=C(C=C1)CN2CCCC(C2)C(=O)C3=CC(=CC=C3)Cl 1 4.562 1 2 9.75498924270176 23723818 CCOC(=O)C1(CCN(CC1)CC2=CC(=CC(=C2)OC)OC)CCOC3=CC=CC=C3 1 4.366 1 5 4.43837885810556 23723817 C[C@H](C(=O)OC)NC(=O)C1=CC2=C(C=C1)OC(=N2)CCC3=CC=CC=C3 1 3.171 2 4 -14.6687487471205 23723816 COC1=CC(=C(C=C1)O)CN2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)F 1 4.108 3 2 16.095118486902 23723815 CN(CCC1=CC=CC=C1)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 3.447 2 4 -18.0923856910191 23723814 CC1=CC(=CC(=C1OC)C)C(=O)C2CCCN(C2)S(=O)(=O)N(C)C 1 1.928 2 4 0 -12.9701928690196 23723813 CCOC(=O)CCNC(=O)N1CCCC(C1)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.121 4 4 0 -9.22332908276335 23723812 CN(C1CCCN(C1)CC2=CC=CC=C2F)C(=O)C3=NC=C(C=C3)C(=O)OC 1 2.794 3 3 -9.19438089733721 23723811 C1CN(CCC1(CCC2=CC=CC=C2)CO)C(=O)CCC(F)(F)F 1 3.187 1 2 -2.15375970422098 23723810 CCOC(=O)C1(CCN(CC1)S(=O)(=O)N(C)C)CCCC2=CC=CC=C2 1 2.455 2 4 -11.8230641517381 23723809 COCCN(CC1CCCN(C1)C2CC3=CC=CC=C3C2)C(=O)CCC(=O)N 1 1.369 3 3 0 -11.0947220290398 23723808 COC1=C(C=C(C=C1)CN2CCCC(C2)(CC3=CC(=CC=C3)Cl)CO)OC 1 4.443 1 3 14.0967576503494 23723807 COC1=C(C(=CC(=C1)CN2CCC(CC2)CCC(=O)NC3CC3)Cl)OC 1 3.406 2 3 -9.3343690353534 23723806 CC(C)N1CCC(CC1)OC2=C(C=CC(=C2)C(=O)NCCCOC)OC 1 1.773 2 4 0 -18.4452481980983 23723805 COC1=C(C=C(C(=C1)CN2CCCC(C2)(CC3=CC=CC=C3)CO)Cl)OC 1 4.443 1 3 13.168563470411 23723804 CC(C)OC1=C(C=C(C=C1)CN2CCCC(C2)(CC3=CC=CC=C3)CO)CO 1 3.916 1 3 13.4416406903725 23723803 C1CCC(CC1)N2CC[C@H]([C@@H](C2)O)N3CCN(CC3)CCC4=CC=CC=C4 1 3.578 3 1 11.0383541200494 23723802 C1CC(CN(C1)CC2=CC=C(C=C2)Cl)NC(=O)CC3=C(C(=CC=C3)F)F 1 4.36 2 1 0.502868680730106 23723801 COC1=C(C=C(C=C1)F)C(=O)C2CCCN(C2)CC3=CC=C(C=C3)O 1 3.862 1 3 8.34738606666106 23723800 CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CC(F)(F)F)C 1 4.164 3 1 -7.85995105197884 23723799 CCCNC(=O)N(CCOC)CC1CCCN(C1)C2CC3=CC=CC=C3C2 1 3.019 3 2 -5.94739122018814 23723798 CCOC(=O)C1(CCCN(C1)C(=O)CNC(=O)C)CC2=CC(=CC=C2)OC 1 1.339 2 5 0 -6.13142547751207 23723797 COC1=C(C(=C(C=C1)CN2CCCC(C2)(CC3=CC=C(C=C3)F)CO)OC)OC 1 3.967 1 4 15.0545463419603 23723796 C1CN(CCC1(CCCC2=CC=CC=C2)CO)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 4.574 1 3 -0.583122335518289 23723795 C1CC(=O)N(C1)CCCN2CC(CCC2=O)C(=O)NCCC3=CC=CC=C3F 1 1.015 3 3 0 -31.3530873294584 23723794 CC(C)N(C)CC1=NN=NN1CC(=O)NCC2=CC(=CC(=C2)F)C(F)(F)F 1 1.924 6 1 0 -30.3851693624046 23723793 CCOC1=C(C=CC(=C1)CN2CCCC(C2)(CC3=C(C=C(C=C3)F)F)CO)OC 1 4.538 1 3 12.219727966403 23723792 CN(C)CCN(CC1CCCN(C1)CC2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)F 1 4.071 3 1 -6.06677898534776 23723791 CSCCCN1CCCC(C1)(CC2=CC=CC=C2F)CO 1 3.109 1 1 10.9577319046747 23723790 CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)CC4=CC(=C(C(=C4)Cl)O)OC 1 5.053 3 2 14.0909124803767 23723789 COC1=CC(=C(C=C1)CN2CCN(C(C2)CCO)CCCC3=CC=CC=C3)OC 1 3.74 2 3 4.71864814886793 23723788 COCCC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)N(CC#C)C3CCCCC3 1 3.633 2 4 -22.163884417791 23723787 C1CN(CCC1(CCC2=CC=CC=C2)CO)C/C=C/C3=CC=CC=C3 1 4.6 1 1 15.5395088799717 23723786 CC(C)CCN1CCN(CC1CCO)CCCC2=CC=CC=C2 1 3.77 2 1 1.09946756502947 23723785 CCN(CC)CC(=O)N1CCCC(C1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.483 4 1 6.62056118629401 23723784 CSCCNC(=O)C1=CC2=C(C=C1)N=C(O2)C3CCCCC3 1 3.564 2 2 -5.95850789354464 23723783 COC1=CC=C(C=C1)N2CCN(CC2)C3CCCN(C3)C(=O)CSC 1 2.302 3 2 -4.52835042598962 23723782 CCNC(=O)N1CCCC(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.454 2 2 -0.463516388416815 23723781 CN(CC1CCN(CC1)CCC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=C(C=C(C=C3)F)F 1 5.19 2 1 9.2145613564283 23723780 CC#CC(=O)NC1CCCN(C1)C2CC3=CC=CC=C3C2 1 3.232 2 1 -3.05387168012336 23723779 CC(=O)C1=CC(=CC=C1)CN2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4F 1 4.106 3 1 8.74064873679358 23723778 CC1=CC=CC=C1CCN2CCCC(C2)CN(C)CC(C)(C)C 1 4.871 2 0 9.85576274482948 23723777 COCCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F 1 2.949 2 3 -17.1413358580732 23723776 CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C(=C2)OC)O)OC)CCOC3=CC=CC=C3 1 4.124 1 6 0 6.27527281639818 23723775 CCOC(=O)C1(CCN(CC1)CC2=CC(=CC=C2)O)CCOC3=CC=CC=C3 1 4.156 1 4 9.87987496897134 23723774 CC1=C(OC2=C1C=CC=C2F)C(=O)N3CCC[C@H]3CO 1 2.48 1 3 7.67872537844062 23723773 CC(=CCN1CCN(CC1CCO)CC2=CNC3=CC=CC=C32)C 1 3.171 3 1 -1.33098111199368 23723772 CN1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F 1 3.705 2 1 -5.22915652778399 23723771 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COC1=CC=CC(=C1)C(=O)C2CCCN(C2)CC3=CC=C(C=C3)F 1 4.104 1 2 7.44612087376138 23723343 CCCC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCC[C@H]3CO 1 3.674 1 3 9.92945319933591 23723342 CC1=CC=CC=C1CC2(CCCN(C2)C(=O)CCC(F)(F)F)CO 1 3.352 1 2 -1.93362092031959 23723341 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)N3CCOCC3)Cl 1 2.413 2 3 -9.8501322119596 23723340 C1CN(C(CN1CC2=CC(=O)C3=CC=CC=C3N2)CCO)CC4=CC=C(C=C4)F 1 2.814 3 2 -0.10629132877038 23723339 CSC1=CC=CC(=C1)CN2CCC(CC2)CCC(=O)NC3CC3 1 3.317 2 1 -5.22823024194811 23723338 CCOC(=O)C1(CCCN(C1)CCO)CC2=CC(=CC=C2)OC 1 2.48 1 4 6.39406649030027 23723337 CC(C)CCN1CCN(CC1CCO)CC2=CC3=CC=CC=C3N2 1 3.364 3 1 7.10531975684501 23723336 CN(C1CCCN(C1)CC2=CC=CC=C2F)C(=O)CC3=CC(=C(C=C3)OC)OC 1 3.663 2 3 -8.0870635541368 23723335 C1CC(CN(C1)CC2=C(C=CC(=C2)Cl)O)C(=O)C3=C(C=CC(=C3)F)F 1 4.748 1 2 13.2760739759541 23723334 COCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3Cl 1 2.423 2 3 -18.1769441329624 23723333 CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C=C2)F)OC)CCOC3=CC=CC=C3 1 4.588 1 4 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CN(C)S(=O)(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)N(CC=C)CC#C 1 1.788 3 4 0 -35.6855170535137 23723310 COCCNC(=O)C1=CC(=CC=C1)OC2CCN(CC2)CC3=CC=C(C=C3)OC(F)F 1 3.39 2 4 -7.04238336831396 23723309 C1=CC=C(C=C1)/C=C/C=C(/C(=O)NN=CC2=CC=C(C=C2)OCC(=O)O)\NC(=O)C3=CC=CC=C3 1 3.573 3 5 0 -17.06610304747 23723308 CCCC1=CC2=C(C=C1)OC(=C2C)C(=O)N(C)CCN3C=CN=C3C 1 3.726 3 2 10.0110679907724 23723307 CCOCCCNC(=O)C1=CC(=CC=C1)OC2CCN(CC2)S(=O)(=O)C 1 0.463 2 5 0 -25.9879334406792 23723306 CCN1C=C(C2=CC=CC=C21)CN3CCCC(C3)(CC4=CC=C(C=C4)F)CO 1 4.865 2 1 14.9725169584405 23723305 CCN(CC)CCN(C)CC1=NC(=NO1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.852 4 1 -8.24275932210691 23723304 CC(=O)NCCC(=O)N1CCCC(C1)C(=O)C2=CC(=C(C=C2)OC)OC 1 0.866 2 5 0 -13.4086995093237 23723303 CC1=NC(=CC=C1)CC(C)NC(=O)C2=C(C3=C(O2)C(=CC=C3)F)C 1 3.881 2 2 2.2318491930156 23723302 COC1=CC=CC(=C1)C(=O)C2CCCN(C2)CC3=CC(=CC=C3)OCCO 1 3.342 1 4 5.33864184674168 23723301 CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCCN(C2)CC3=CC(=C(C(=C3)OC)O)OC 1 5.04 1 4 8.73988446760206 23723300 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CN3CCN(CC3)CC4=CC(=CC=C4)F 1 3.816 3 2 19.7304913676344 23723299 CN(C)S(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3Cl 1 2.068 3 3 -24.5586052986734 23723298 CSCCC(=O)N1CCCC(C1)(CCCC2=CC=CC=C2)CO 1 3.129 1 2 6.03419033104193e-002 23723297 CCCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3 1 4.452 3 3 -7.70001657000006 23723296 COCCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3 1 3.449 3 4 0 -9.12132417218136 23723295 CN(C)CCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3 1 3.718 4 3 0 -3.77200082644779 23723294 CC1=C(OC2=C1C=CC=C2F)C(=O)N3CCN(C(=O)C3)CC4=CC(=CC=C4)OC 1 3.182 2 4 -0.274637448373388 23723293 CCCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)Cl)C(=O)NCCC(C)C 1 4.449 3 3 -9.66450746413176 23723291 C=CCNC(=O)C1=C(ON=C1CSC2=CC=CC=C2)C(=O)NCC=C 1 2.565 3 3 -9.88765640574471 23723290 COC1=CC=CC=C1CN2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)F 1 4.35 3 1 9.47860052859956 23723289 C1CC(CN(C1)CC2=CC=C(C=C2)Cl)NC(=O)CC3=CC=CC=C3F 1 4.154 2 1 -2.503426978052 23723288 CC(=CCN1CCN(CC1CCO)CCCC2=CC=CC=C2)C 1 3.655 2 1 -1.31345418703329 23723287 COC1=C(C(=CC(=C1)Cl)CN2CCC(CC2)CCC(=O)NC3CC3)OC 1 3.406 2 3 -8.91876168806486 23723286 C=CCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3 1 4.196 3 3 -9.9434792365104 23723285 CC1=CC=C(C=C1)CNC(=O)C2=CC(=NN2CC3CC(=NO3)C4=CN=CC=C4)C5=CC=CC=C5 1 4.303 5 2 0 -7.49924335288347 23723284 C1CC(CN(C1)C/C=C/C2=CC=CC=C2)(CCC3=CC=CC=C3)CO 1 4.735 1 1 18.5251216125585 23723283 C1CN(C(CN1CCCC2=CC=CC=C2)CCO)CC3=CC=C(C=C3)F 1 3.979 2 1 5.68108863876749 23723282 CN(C)CCN(CC1CCCN(C1)CC2=CC=CC=C2OC)C(=O)C3CCCC3 1 3.65 3 2 -6.27819375629604 23723281 C1CC1NC(=O)CCC2CCN(CC2)CC3=CC=C(C=C3)C#CCCO 1 3.082 2 2 -2.41865460571122 23723280 CCOC1=CC=CC(=C1O)CN2CCN(C(C2)CCO)CCCC3=CC=CC=C3 1 3.863 2 3 5.79545008260181 23723279 CN(C)CCN(CC1CCCN(C1)CC2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)Cl 1 4.53 3 1 -4.43317926383821 23723278 CN(CC1CCCN(C1)CCC2=CC=C(C=C2)F)C(=O)CCC(F)(F)F 1 3.763 2 1 -3.80514623604311 23723277 CC(C)N(C)CC1=CN(N=C1C2=CC=C(C=C2)OC3=CC=CC=C3)C 1 4.786 3 1 9.8642170373977 23723276 COC1=CC=CC(=C1OC)CN2CCN(C(C2)CCO)CCCC3=CC=CC=C3 1 3.74 2 3 4.24897305679693 23723275 CCOC(=O)CCNC(=O)C1=CC2=C(C=C1)N=C(O2)C3CCCCC3 1 3.255 2 4 -10.6449249787262 23723274 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C3(CC(=NO3)C4=CC=C(C=C4)OC)C 1 5.03 2 2 4.71980059549794 23723273 CC(C)(C#CC1=CC=C(C=C1)CN2CCC(CC2)(CCC3=CC=CC=C3)CO)O 1 4.701 1 2 11.4312645432963 23723272 CN(CC1CCN(CC1)CCC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=CC(=CC=C3)OC 1 4.763 2 2 4.93586134703792 23723271 CC(C)N1CCC(CC1)OC2=C(C=CC(=C2)C(=O)N(C)CC(=O)OC)OC 1 1.755 2 5 0 -17.0521028184481 23723270 CC(=O)C1=CC(=CC=C1)CN2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCCOC 1 2.325 2 4 -11.5525436995805 23723269 CC1=CC(=C2C(=C1)C(=C(O2)C(=O)NC3CCC(CC3)O)C)Cl 1 3.891 1 3 7.78797059508145 23723268 CCCCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3 1 4.908 3 3 -8.40589786881164 23723267 CN(C)C(=O)CCC(=O)N1CCCCC1C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3F 1 2.663 3 4 0 -15.8695510390631 23723266 COCCNC(=O)C1=CC(=CC=C1)OC2CCN(CC2)CC3=C(C=C(C=C3)F)OC 1 2.774 2 4 -9.60099355235718 23723265 CCCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)Cl)C(=O)NCCOC 1 2.738 3 4 0 -8.82444953745195 23723264 COC1=CC=CC=C1CNC(=O)C2=CC(=NN2CC3CC(=NO3)C4=CN=CC=C4)C5=CC=CC=C5 1 3.8 5 3 0 -10.1948803901059 23723263 CC(C)N(C)CC1=NN=NN1CC(=O)NCC2=CC=C(C=C2)C(=O)OC 1 0.632 6 3 0 -35.8407041804993 23723262 COC(=O)C1=CN=C(C=C1)C(=O)NC2CCCN(C2)CC3=CC=C(C=C3)Cl 1 3.047 3 3 -5.06294357069767 23723261 CCCC(=O)N1CCCC(C1)C(=O)C2=CC(=C(C=C2)OC)OC 1 2.681 1 4 -11.4193022856443 23723260 CN(CCC1=CC=CC=C1)C2CCCN(C2)S(=O)(=O)C3=CC=CC(=C3)F 1 3.685 2 2 -12.1594190363342 23723259 CCOC1=CC=C(C=C1)CN2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)OC 1 4.477 3 2 10.5328513486454 23723258 C1CC(=O)N(C1)CCCN2CC(CCC2=O)C(=O)NCCC3=CC=C(C=C3)C(F)(F)F 1 1.752 3 3 0 -25.9107363579327 23723257 C1CC(CN(C1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)F 1 4.119 2 1 2.39956689038976 23723256 CN(C1CCCN(C1)CC2=CC=CC=C2F)C(=O)CC3=C(C=CC(=C3)OC)OC 1 3.663 2 3 -3.86687538036679 23723255 CC(COC1=CC=CC=C1)N2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCCOC 1 3.011 2 4 -15.1178684696478 23723254 COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCCC(=O)OC)OC 1 2.446 2 6 0 -21.427977293035 23723253 CCOC1=CC=CC=C1OCCN2N=C3C=CC=CC3=N2 1 3.56 3 2 -3.96255825784899 23723252 C1CN(C(CN1CC2=CC=CC=C2O)CCO)CCCC3=CC=CC=C3 1 3.531 2 2 8.63826798980834 23723251 COCCNC(=O)C1=CC(=CC=C1)OC2CCN(CC2)CC3=CC(=C(C=C3)Cl)F 1 3.454 2 3 -8.06784234342729 23723250 CC1=CC(=CC(=C1OC)C)C(=O)C2CCCN(C2)CC3=CC(=CC=C3)O 1 4.628 1 3 8.54713894923415 23723249 COC(=O)CCCC(=O)N1CCC(CC1)(CCC2=CC=CC=C2)CO 1 2.335 1 4 -6.47047574075123 23723248 C1CCC(C1)CCNC(=O)C2CCC(=O)N(C2)CCCN3CCCC3=O 1 1.026 3 3 0 -30.0824327195534 23723247 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)N(C)CCC3=CC(=C(C=C3)OC)OC 1 3.933 2 4 -17.2654386686532 23723246 CN(C)CCN(CC1CCCN(C1)CC2=CC=CC=C2F)C(=O)CC3=CC=CC=C3F 1 4.106 3 1 -8.53350546876021 23723245 CN(CCC1=CC=CC=C1)C2CCCN(C2)S(=O)(=O)CC(F)(F)F 1 2.91 2 2 -14.0515447175411 23723244 CC(C)N1C=C(C2=CC=CC=C21)CN3CCN(C(C3)CCO)C 1 2.638 3 1 3.16259141293997 23723243 COC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)NCC=C 1 2.433 4 2 -6.47417733031109 23723242 CC(C)CN1C2=CC=CC=C2N=C1CN3CCN(C(C3)CCO)C 1 2.519 4 1 1.26296853388805 23723241 C1CN(CCC1(CCOC2=CC=CC=C2)CO)CC3=CC=NC=C3 1 2.439 2 2 12.8538703426383 23723240 CC(C)N(C)CC1=NN=NN1CC(=O)N2CCCC2(CC=C)CC=C 1 1.621 6 1 0 -28.1441947513896 23723239 C1CC(CN(C1)CCCC(F)(F)F)(CC2=CC=C(C=C2)F)CO 1 4.017 1 1 14.1139494573864 23723238 CC(C)N(C)CC1=NN=NN1CC(=O)NCC2=CC=CC=C2OC 1 0.76 6 2 0 -35.2827514553373 23723237 C1CC(CN(C1)C(=O)CC2=CC(=CC=C2)F)(CC3=C(C=C(C=C3)F)F)CO 1 3.803 1 2 5.66460626092593 23723236 CC#CC(=O)N1CCCC(C1)C(=O)C2=CC=C(C=C2)SC 1 3.355 1 2 -3.01936727265619 23723235 COCCC(=O)N1CCCC(C1)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.027 3 2 -2.81609031681196 23723234 CC1=CC=CC=C1CN2CCN(C(C2)CCO)CCCC3=CC=CC=C3 1 4.259 2 1 4.80641904098772 23723233 COC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)CC(F)(F)F 1 2.944 3 2 -5.28288550780518 23723232 COC1=C(C=C(C=C1)CCC(=O)NC2CCCN(C2)CC3=CC=C(C=C3)Cl)OC 1 4.372 2 3 -6.5905404751735 23723231 C1CC(CN(C1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=NC=C3)Cl 1 3.637 3 1 -4.77373620908175 23723230 CCOC1=CC=C(C=C1)CN2CCN(C(C2)CCO)CCCC3=CC=CC=C3 1 4.105 2 2 5.55227773753612 23723229 CC(=O)C1=CC(=CC=C1)CN2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.884 3 2 7.85186540766015 23723228 C1C(ON=C1C2=CN=CC=C2)CN3C(=CC(=N3)C4=CC=CC=C4)C(=O)NCC5=CC=CS5 1 3.557 5 2 0 -10.4448894215854 23723227 CC(C)CCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3 1 5.16 3 3 -9.96138209886116 23723226 C1CC(CN(C1)CCCC2=CC=CC=C2)(CCC3=CC=CC=C3)CO 1 5.045 1 1 14.4519440374094 23723225 CCCCN(C)C(=O)C1=CC(=CC=C1)OC2CCN(CC2)CC(C)(C)C 1 4.132 2 2 -8.98141356232092 23723224 CC1=CC(=CC(=C1O)C)CN2CCCC(C2)C(=O)C3=C(C=C(C=C3)OC)OC 1 4.612 1 4 5.33960308036403 23723223 C1CC(CN(C1)CC2=CC=CC=C2O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 4.861 3 1 19.9821224199948 23723222 C1CC1NC(=O)CCC2CCN(CC2)CC3=CC=C(C=C3)Cl 1 3.439 2 1 -5.42374085524714 23723221 CCCCNC(=O)N1CCCC(C1)N(C)CCC2=CC(=C(C=C2)OC)OC 1 3.404 3 3 -17.6541071569651 23723220 CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC4CC4 1 4.401 2 1 10.9386404999611 23723219 C1CN(C(CN1CC2=C(C=CC(=C2)F)F)CCO)CCCC3=CC=CC=C3 1 4.184 2 1 6.34983909161405 23723218 CN(CC1CCCN(C1)CCC2=CC=C(C=C2)F)C(=O)CCC(=O)N 1 1.602 3 2 0 -2.29769349271848 23723217 CC1=C(C=CC(=C1)F)N2CCC(CC2)N3CCN(C(C3)CCO)C 1 2.303 3 1 12.4143515156524 23723216 CC1=C(N=C(O1)C2=CC=C(C=C2)C3=CC=CC=C3)CN(CCO)C(C)C 1 3.791 2 2 16.7385548545871 23723215 CC(=O)C1=CC=CC=C1C(=O)N2CCC3=C(C2C4=C(C=C(C=C4)OC)F)NC5=CC=CC=C35 1 4.921 2 3 -21.4063874210346 23723214 CN(CC1CCCN(C1)CCC2=CC=CC=C2OC)C(=O)CCC(=O)N 1 1.38 3 3 0 -6.86107904107831 23723213 CCOC1=CC=CC=C1CN2CCCC(C2)C(=O)C3=CC(=C(C=C3)OC)OC 1 4.214 1 4 -1.0708215356643 23723212 CN1CCCC(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.849 1 1 7.18785120862123 23723211 C1CC(CN(C1)CC2=CC3=C(C=C2)OCCO3)CNC(=O)C4=CC5=C(C=C4)OCO5 1 2.87 2 5 0 -7.30453112123224 23723210 CCOCCCNC(=O)C1=CC(=C(C=C1)OC)OC2CCN(CC2)C(C)C 1 2.122 2 4 -20.0508900371025 23723209 C1CN(C[C@H]([C@@H]1N2CCOCC2)O)CC3=CC=CC=C3Cl 1 1.793 2 2 0 6.41265801951933 23723208 COC1=C(C=CC(=C1)CN2CCCC(C2)(CC3=CC=CC=C3F)CO)O 1 3.758 1 3 16.853333859959 23723207 C=CCN(CC#C)C(=O)C1CCC(=O)N(C1)CCCC2=CC=CC=C2 1 3.565 2 2 -32.1653688767934 23723206 CC1=C(NC2=C1C=C(C=C2)OC)C(=O)N3CCC(CC3)(CC4=CC(=CC=C4)C(F)(F)F)CO 1 5.013 2 3 11.8605842888681 23723205 CSCC(=O)N1CCCC(C1)(CCCC2=CC=CC=C2)CO 1 2.881 1 2 -0.549396731481985 23723204 COC1=C(C(=CC(=C1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)SC)Cl)O 1 4.862 1 3 11.2027800002666 23723203 CCOC(=O)CNC(=O)N1CCCC(C1)C(=O)C2=CC(=C(C(=C2)C)OC)C 1 2.598 2 5 0 -9.91014510702787 23723202 CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)S(=O)(=O)CC=C 1 2.487 2 4 -21.4114581974202 23723201 CCCCN(C)C(=O)C1=C(N2C=CC=CC2=N1)CN3CCC[C@H]3CO 1 1.98 4 2 0 -14.7052291176219 23723200 CCOC(=O)C1(CCN(CC1)CC(CO)O)CCOC2=CC=CC=C2 1 1.765 1 5 0 1.7678149160533 23723199 CN(CC1CCCN(C1)CCC2=CC=C(C=C2)F)CC3=CC(=C(C=C3Cl)O)OC 1 5.114 2 2 17.1217489941312 23723198 CN(C)CCN(CC1CCCN(C1)CC2=CC=CC=C2F)C(=O)CC3=CC(=C(C=C3)F)F 1 4.311 3 1 -5.97569457033357 23723197 C1CN(CCC1CC2=CC=CC=C2)CC(COC3=CC=CC=C3)O.Cl Cl- 1 4.099 1 2 0.660048945898387 23723196 C1CN(CCN1CCCl)C2=C3C=CC(=CC3=NC=C2)Cl.Cl Cl- 1 3.465 3 0 5.3488133772581 23723195 CC1C(NC(C(C1=O)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.Cl Cl- 1 5.026 1 1 0.883537531803356 23723191 CC1=CC=CC=C1N2C(=NC3=C(C2=O)SC=C3)C.Cl Cl- 1 3.051 2 1 -13.3417286235503 23723190 C1CCN(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24.Cl Cl- 1 5.042 1 0 2.47439987739882 23723189 COC1=C/C(=N/NC2=CC3=CC=CC=C3C=C2)/C=CC1=O 1 3.143 2 2 0.510964769329109 23723188 CCOC(=O)C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC(=C(C(=C3)OC)OC)OC.[Br-] Br- 1 4.194 1 5 -2.866061388486 23723187 C1=CC=C2C(=C1)C=CC=[N+]2CC3=C(C=CC=C3Cl)Cl.[Br-] Br- 1 5.546 1 0 1.25706189871374 23723186 C1=CC=NC(=C1)SC2=CC=C(C=C2)Cl.Cl Cl- 1 4.001 1 0 3.28663072882746 23723184 CCCOC1=CC(=C(C=C1)C(=O)OCCN2CCCCC2)O.Cl Cl- 1 3.355 1 4 -0.568016650020807 23723183 CCOC(=O)COC1=CC=CC=C1C=NNC2=NC3=C(C4=CC=CC=C4N3C)N=N2 1 3.452 6 3 0 -15.1316965238883 23723182 CC1=CC(=[N+](C=C1C(=O)N)CC2=CC=CC=C2)C.[Cl-] Cl- 1 2.651 2 1 1.76520774679341 23723181 CCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)OCC(=O)OC.Br Br- 1 2.978 3 4 0 -10.5111801815224 23723180 COC(=O)COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2NCCCO.Br Br- 1 1.899 3 5 0 -9.84699092202582 23723179 CN(C)CCOC1C2=CC=CC=C2CSC3=CC=CC=C13.C(=O)O COOH 1 3.68 1 1 -0.519680342016488 23723178 C1=COC(=C1)/C=C/C=NNC2=CC=C(C=C2)[N+](=O)[O-] 1 3.098 3 3 2.90983429877706 23723177 CC1=CC=C(C=C1)NN=C/C=C/C2=CC=CO2 1 3.69 2 1 5.41568214904801 23723175 C1CC(C2=CC=CC=C2SC1)N3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 4.475 2 0 2.92421447241142 23723174 COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCN(CC2)CC3=CC=CC=C3.O.Cl Cl- H2O 1 2.61 3 4 0 -5.19983248674708 23723173 CCC1=CC=CC2=C1SC3=CC=CC=C3CC2N4CCNCC4.CS(=O)(=O)O CS(=O)(=O)O 1 4.489 2 0 -2.02135709853823 23723172 C1CN(CCN1CCCCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)C6=CC=C(C=C6)F.Cl Cl- 1 2.858 3 2 -1.17649832509385 23723171 C1CCN(CC1)CCCCCCN2CCCCC2.Br Br- 1 3.847 2 0 1.62663149580282 23723170 COC1=CC(=C(C=C1)OC)C(C2CCCCN2)O.Cl Cl- 1 1.77 1 3 0 -5.13878833659458 23723169 CC(=O)OCCCN(C)CC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31.Cl Cl- 1 4.368 1 2 -2.2514087956558 23723167 CCCNC(=O)C1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4CCCCN4C3=O.O.Cl Cl- H2O 1 2.795 5 3 0 -8.07718305983624 23723166 C[N+]1=CC=CC=C1NC2=C(C=CC(=C2)[N+](=O)[O-])N.[I-] I- 1 2.257 4 2 -1.66303569958222 23723165 CC1=NC2=CC=CC=C2C(=N1)N3CCCCCC3.Cl Cl- 1 2.798 3 0 1.0175052359944 23723164 C1CCN(C1)CCNC(=O)COC2=CC=C(C=C2)Br.Cl Cl- 1 2.221 2 2 -7.59207966551035 23723163 CC1CN2C(=CSC2=N1)C3=CC=C(C=C3)Cl.Br Br- 1 2.871 2 0 1.9017081027582 23723162 C1=CC=[N+](C=C1)CC(C2=CC=C(C=C2)[N+](=O)[O-])O.[I-] I- 1 2.401 2 3 -1.41242089957664 23723161 CC(C)N(CCNC(=O)CCCCC(=O)NCCN(CC1=CC=C(C=C1)OC)C(C)C)CC2=CC=C(C=C2)OC.Cl Cl- 1 4.574 4 4 0 -10.4507049464301 23723160 CC1=CC=CC2=C1SC3=C(CC2N4CCNCC4)C=C(C=C3)Cl.CS(=O)(=O)O.O H2O CS(=O)(=O)O 1 4.697 2 0 1.4785422453722 23723159 COC1=CC=CC(=C1)N/N=C/2\C=CC3=CC=CC=C3C2=O 1 3.591 2 2 1.29943854847233 23723158 CC(C)CC1=CC=C(C=C1)C2=CSC3=NCCN23.Br Br- 1 3.48 2 0 3.87757770700606 23723157 CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=C[N+](=C1COC2=CC=C(C=C2)C=O)C Cc1ccc(cc1)S(=O)(=O)O 1 2.016 2 2 -3.82049111059277 23723156 CC(C)CC1=CC=C(C=C1)C(C)C(=NC2=CC=C(C=C2)O)N.Cl Cl- 1 4.575 2 1 8.01382717785407 23723155 C1=CC(=CC(=C1)OC2=C(C=NC=C2)N)C(F)(F)F.Cl Cl- 1 2.435 2 1 5.95982207306084 23723153 COC1=C(C=C(C=C1)C2=CSC3=NCCN23)Br.Br Br- 1 2.561 2 1 -1.17130589422251 23723151 C/C(=C\C(=O)C1=CC=C(C=C1)Br)/NNC(=O)C2=CC=CC=C2 1 3.212 2 2 -2.82374610464955 23723150 CN1CCC(C(C1)CSC2=CC=C(C=C2)OC)C3=CC=C(C=C3)F.Cl Cl- 1 4.539 1 1 4.3248075319232 23723149 C1=CC(=CC=C1COP(=O)([O-])OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].[Na+] Na+ 1 1.091 2 8 0 -2.86149615671672 23723148 C1=CC=C(C=C1)CCN=C(N)NC(=O)C2=C(C=CC(=C2)Cl)O.Cl Cl- 1 3.199 3 2 2.65848804790102 23723147 CC12CCCC(C1CCC3=C2C=C(C=C3)O)(C)C(=O)[O-].[Ba+2] Ba+2 1 2.479 0 3 0.666425614049225 23723146 CC1=CC2=C(C=C1)SC=C2CN3CCCC3.Cl Cl- 1 3.712 1 0 2.52889303187762 23723145 CN1CCN(CC1)CC2=C(N(C3=CC=CC=C32)C)SC.Cl Cl- 1 3.026 3 0 4.62087700333111 23723144 C1=CC=C(C=C1)C(C2=CC=NC=C2)NC(=S)N.Cl Cl- 1 2.271 3 0 -6.68294498442589 23723143 CC1=C(C2=C(C(=C(C=C2O1)Br)O)CN(C)C)C(=O)C3=C(C=CC(=C3)OC)OC.O.Cl Cl- H2O 1 4.23 1 5 -0.126875204779377 23723142 COC1=CC=CC=C1OCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O.Cl Cl- 1 2.306 2 4 -12.5170418316815 23723140 C1COCCN1CC(C2=CSC3=CC=CC=C32)O.Cl Cl- 1 1.942 1 2 0 -2.2173469097259 23723139 CC(CN1CCN(CC1)C)OC(=O)C2=CC(=CC=C2)F.Cl Cl- 1 2.364 2 2 -2.36667676666078 23723138 C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O.[Br-] Br- 1 2.542 2 4 -0.644854463490376 23723137 C1=CC=C(C=C1)CC[N+]2=CC=CC=C2CO.[Br-] Br- 1 2.812 1 1 1.07486315743454 23723136 C1=CC=C(C=C1)C[N+]2=CC=CC=C2CO.[Cl-] Cl- 1 2.491 1 1 1.72608769679666 23723135 CN1CCCCCC1=NC2=CC=C(C=C2)[N+](=O)[O-].Cl Cl- 1 2.479 3 2 -2.73182118940964 23723134 C1=CC=C(C=C1)CCCCC(C2=CC=CC3=CC=CC=C32)N.Cl Cl- 1 5.146 1 0 -1.14659764302246 23723133 CCC1=CC2=C(C=C1)C(CC3=CC=CC=C3S2)N4CCN(CC4)C.CS(=O)(=O)O.O H2O CS(=O)(=O)O 1 5.025 2 0 6.49093160300063 23723131 CN(C)CC1=CC=CC=C1CCC2=CC=CC=C2.Cl Cl- 1 4.334 1 0 -2.21034203059397 23723129 CCOC(=O)C1(C2=CC=CC=C2N(C1=O)CCCN(C)C)CC3=CC=CC=C3.Cl Cl- 1 3.312 2 3 -0.302424636094315 23723128 CC1=C/C(=N/NC2=CC3=CC=CC=C3C=C2)/C=CC1=O 1 3.902 2 1 -0.905746037224424 23723125 CCCCCCC(CN1C=CN=C1)(C2=CC=CC=C2)Cl.[N+](=O)(O)[O-] NO3 1 4.754 2 0 1.2181832311469 23723121 CC1=C(C(=CC=C1)C)C(=NCCN(C)C)C2=CC=CC=C2.Cl Cl- 1 4.605 2 0 -2.9743091062176 23723120 CC(C)OC1=C(C=C(C(=C1)Br)CNCCCN2CCOCC2)OC.Cl Cl- 1 2.698 2 3 -3.55818269330028 23723119 CN(C)N=NC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)[O-].[K+] K+ 1 1.906 4 3 0 -3.59417091502577 23723118 COC1=CC=C/C(=C\NNC(=O)NC23CC4CC(C2)CC(C4)C3)/C1=O 1 1.169 3 3 0 -6.47390184987277 23723117 CN(C)C1=CC=C(C=C1)C=NNC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.301 4 1 -9.64521489816465 23723116 COC1=CC=C(C=C1)[C@H]([C@H](C2=CC=CC=C2)N)O.Cl Cl- 1 2.021 1 2 -1.90470771599979 23723115 C1CC2C(=O)N(C(=O)N2C1)CCCN3CCN(CC3)C4=CC(=CC=C4)Br.Cl Cl- 1 2.426 4 2 1.90777128290699 23723114 CC1=C(C(=NN1)C)CCCCOC2=CC=C(C=C2)OC.Cl Cl- 1 3.486 2 2 0.74918007584352 23723112 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN/C=C/3\C=C(C(=O)C(=C3)Br)[N+](=O)[O-])O 1 2.13 3 5 0 -7.17912815328949 23723111 CC1=CC=CC(=C1)C=NNC(=O)CC(=O)NCCC2=CC=CC=C2 1 2.798 3 2 -8.9374185541844 23723110 C[N+](C)(CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O)N.[Br-] Br- 1 1.305 2 3 0 -5.24461694030215 23723109 C1CCN2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC=CC=C4OC5=CC=CC=C5.O.Cl Cl- H2O 1 4.274 4 3 0 2.01615965551913 23723108 CCCCOC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CCCN4C3=O.Cl Cl- 1 2.99 4 3 0 -3.80264999122173 23723107 CC1CC(CC(C1)(C)C)OCC(CN2CC(CC(C2)C)C)O.Cl Cl- 1 3.802 1 2 -7.57829145457066 23723105 CN1CCN(CC1)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 2.891 3 1 -3.37203992400396 23723102 CC(CCCN(C)C)C(CC1=CC=CC=C1)C2=CC=CC=C2.Cl Cl- 1 5.585 1 0 -1.417875802479 23723100 CCCCOC1=C(C=C(C=C1Br)CNCCCN2CCOCC2)OC.Cl Cl- 1 3.3 2 3 -3.77486350524372 23723098 CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCC3=CC=CC=C3C2)O.Cl Cl- 1 4.5 1 2 -4.03617268798873 23723096 C1CN(CCN1CCC(C2=CC=CC=C2)Cl)CC3=CC=CC=C3.Cl Cl- 1 4.2 2 0 2.739506950897 23723095 COC1=CC2=C(C=CC3=CC=CC=[N+]32)C=C1.[Cl-] Cl- 1 3.151 1 1 2.0591044596914 23723094 CCCCN1C2=CC=CC=C2N3C1=NC(C3)C4=CC=CC=C4.Cl Cl- 1 4.124 3 0 -2.32188243355099 23723093 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Br)NCCCl.Cl Cl- 1 4.098 3 1 -6.76134630185847 23723091 COC1=CC(=CC=C1)OCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O.Cl Cl- 1 4.578 2 3 -8.00144488229645 23723090 CCCC[N+]1=CN(C=C1)C2=NC3=C(N2C)C=CC=C3[N+](=O)[O-].[I-] I- 1 4.328 5 2 0 7.05938151362291 23723089 COC(=O)CC1(N(C(=O)C2=CC=CC=C2O1)C3=C(C=C(C=C3)F)F)C(=O)OC 1 3.087 1 6 0 -4.26123998665287 23723088 CC1=C(C=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C 1 4.536 4 4 0 -8.06792789736389 23723087 COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC=NC=C3 1 2.966 2 2 -2.25577309570503 23723086 C1=CC=C(C=C1)CSC2=NNC(=N2)C(F)(F)F 1 3.585 3 0 -3.88328517381002 23723085 CCCCN(CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)O)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 5.702 2 4 -24.8845044294997 23723084 C1=CC(=C(C=C1Cl)O)C(=O)NC2=NN(C=C2)CCCCC#N 1 2.982 4 2 -5.67484864699286 23723083 CN(C)N1C(=O)/C(=C/C2=CC=CO2)/SC1=NC3=CC=CC=C3 1 3.094 3 2 -2.24472082984633 23723082 CC12CCC(=O)CC1CCC3C2CC(=O)C4=C3C=CC=C4OC 1 3.207 0 3 -6.41723710593786 23723081 C1=CC=C(C(=C1)C2=NOC(=O)N2C3=CC=CC=C3Cl)Cl 1 4.446 2 2 1.85987028825156 23723080 CCOC(=O)C1=CN=C2N=C(NN2C1=O)SCC3=CC=CC=C3Cl 1 2.262 4 3 0 -12.9480205664438 23723079 C1=CC(=CC=C1C2N=C(N=C(N2C3=CC=C(C=C3)F)N)N)[N+](=O)[O-] 1 2.096 6 2 0 2.18165917250549 23723078 CC1=NN(C(=O)C1CC2=C(C=CC=C2Cl)F)C 1 2.367 2 1 -3.52068204659759 23723077 CC(=NNC1=CC=CC=N1)C2=CC=C(S2)Br 1 3.339 3 0 0.936810941386846 23723076 C1=CC=C(C=C1)C2=NOC(=O)N2C3=CC(=CC(=C3)Cl)Cl 1 4.446 2 2 4.07422398908032 23723075 CC1=NN(C(=O)C1N=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=S)N 1 1.409 7 2 0 -9.43292798850239 23723074 CC(C)[C@@H](C(=O)O)NC(=O)C1=CC(=CC=C1)CN(CC2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3 1 4.895 2 4 -19.7561186642999 23723073 CC1=CC(=CC(=C1F)C)S(=O)(=O)NCCC2=CC=NC=C2 1 2.673 2 2 -2.6298955268855 23723072 C1CCN(CC1)CC(=O)NN=CC2=CC(=CC=C2)C(F)(F)F 1 2.884 3 1 -0.427250311209514 23723071 CC1=CC=C(O1)CN2CCN(CC2)C3=CC=CC=C3Cl 1 3.524 2 1 6.4911396704777 23723070 C1CN=C(N1)NN=CC2=CC(=NC(=C2)Cl)Cl 1 1.69 5 0 0 -7.41363954160264 23723069 COC1=CC=C(C=C1)C2=C(CC3=CC=CC=C3O2)C=O 1 3.302 0 3 1.53778659140102 23723068 C1CN(CCC1(C2=CC=CC=C2)O)C(=O)C3=CC(=CC=C3)C(=O)N4CCC(CC4)(C5=CC=CC=C5)O 1 2.402 2 4 -3.23221002086007 23723067 CC(C)[C@@H](C(=O)O)NC(=O)C1=CC(=CC=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 4.427 2 4 -22.3476321857925 23723066 CCOC(=O)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O 1 4.468 2 5 0 -17.6462699948873 23723065 CCCC(=O)NC1=C(C(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O 1 4.818 1 3 -10.7188733165939 23723064 CC(C)C(C)N(CC1=CC=C(C=C1)C(=O)O)C(=O)C2=NC3=CC=CC=C3C=C2 1 4.641 2 3 -6.44943266702033 23723063 CC1(CC(=NO1)C2=CC=C(C=C2)Br)C3=NN=C(O3)CC4=CC=CC=C4 1 3.916 3 2 -10.7842218432888 23723061 CC1(CC(=NO1)C2=CC=C(C=C2)C#N)C3=NN=C(O3)CC4=CC=CC=C4 1 3.047 4 2 -13.7752999384449 23723060 CC1=C(SC(=N1)C2=CC=CC=C2)C(=C)C 1 3.782 1 0 0.807666328022112 23723059 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=C)C 1 4.447 1 0 3.10418143492413 23723058 COC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC4(CC3)CC(=NO4)C5=CC=C(C=C5)Cl)N 1 3.942 4 3 0 -5.05902559698795 23723057 C1=C(C=C2C(=C1Cl)C(=O)C=C(N2)C(=O)O)Cl.O H2O 1 2.401 1 3 -2.06028799638438 23723056 C[C@H]([C@@H]1C[C@@]1(C)[C@H](C2=CC=CC=C2)N)C(=O)NC3=CC4=CC=CC=C4C=C3.Cl Cl- 1 4.014 2 1 -7.66065294060473 23723054 CC(C)CC(C(=O)N)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 -1.835 6 9 0 -25.8948790896496 23723053 C1COCCN1CCCNC(=O)C2=C(ON=C2CSC3=CC=NC=C3)C(=O)NCCCN4CCOCC4 1 -4.1e-002 6 5 0 -8.5968140203271 23723052 C1CCC(CC1)CN2CCNC[C@@H]2CC3=CC=CC=C3 1 3.863 2 0 -4.85618626178754 23723051 CC([C@H]1CNCCN1CC2(CC2)C3=CC=CC=C3)O 1 1.734 2 1 0 -9.14712090685551 23723050 CCC(C)[C@H]1CNCCN1CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F 1 5.207 2 0 -4.72981577057321 23723049 CCC(C)[C@H]1CNCCN1CCC2=CC(=CC=C2)F 1 3.528 2 0 -3.61201563621886 23723048 CCCCN1CCNC[C@H]1CC2=CC=C(C=C2)O 1 2.761 2 1 -1.43150032682697 23723047 CCCCN1CCNC[C@@H]1CC2=CC=CC=C2 1 3.003 2 0 -4.12618934274571 23723046 COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@H]2CC(=O)C[C@@H](O2)CC(=O)CCC3=CC=C(C=C3)O)C=C)OC4C(C(C(C(O4)CO)O)O)O 1 0.208 0 13 0 -19.7351230738446 23723045 CN1CC[C@@]2(C1NC3=CC=CC=C32)[C@@]45CCN(C4NC6=CC=CC=C56)C 1 3.182 4 0 -0.470063452690238 23723044 C[C@H]1CC=C[C@H]2[C@@H]([C@@H]([C@@]([C@@H]3[C@@]2([C@@H](C=C[C@](C1)(C)O)O)C(=O)N[C@H]3CC4=CC=CC=C4)(C)O)C)O 1 2.003 1 5 -2.36200776584062 23723043 C[C@@H]1CC[C@@]2([C@H](C3[C@@H](O2)CC4C3(C(CC5C4CCC6C5(CCC(C6)OC(=O)C)C)OC(=O)C)C)C)OC1 1 4.54 0 6 -9.41668153396735 23723041 C[C@]12CC[C@@H](C(C1[C@@H](C[C@@]3(C2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)O)(C)C)O 1 5.277 0 4 -2.60579041442582 23723040 CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)O)C(=O)OC)C)O)C=O)O 1 3.609 0 8 0 -2.64520192990502 23723039 C1=CC2=C(C(=C1)O[C@H]3[C@H]([C@@H]([C@@H](C(O3)CO)O)O)O)C(=O)C4=C(C=C(C=C4C2=O)CO)O 1 -0.21 0 10 0 -9.94682045416844 23723038 C[C@@]1(CCC2C1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@H]([C@@H]([C@@H](C(O3)CO)O)O)O)O 1 -1.777 0 10 0 -16.2199563342777 23723037 C[C@@H]1[C@H](O[C@]2([C@@]1(CC=CC2=O)CC=C)O)C3=CC(=C(C=C3)OC)OC 1 3.231 0 5 -7.996899094477 23723036 C[C@]1(CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2C1)C)C(=O)O)CO 1 5.356 0 4 -1.27189466259309 23723035 C[C@]12CC[C@@H](C(C1CC[C@@]3(C2[C@H]4[C@H](O4)[C@@]56[C@]3(CC[C@@]7(C5CC(CC7)(C)C)C(=O)O6)C)C)(C)C)O 1 5.167 0 4 -5.12490563730004 23723034 CC1(CC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-])C3=NN=C(O3)CC4=CC=CC=C4 1 3.062 4 4 0 -12.9511385034382 23723033 CC1(CC(=NO1)C2=CC=CC=C2F)C3=NN=C(O3)CC4=CC=CC=C4 1 3.373 3 2 -11.7652675350501 23723032 CC1(CC(=NO1)C2=CC=CC=C2[N+](=O)[O-])C3=NN=C(O3)CC4=CC=CC=C4 1 3.062 4 4 0 -14.4859081061036 23723031 CC1(CC(=NO1)C2=CC=CC=C2OC)C3=NN=C(O3)CC4=CC=CC=C4 1 3.151 3 3 -13.1774706297901 23723030 CC1(CC(=NO1)C2=CC=CC=C2Br)C3=NN=C(O3)CC4=CC=CC=C4 1 3.916 3 2 -11.6131679819228 23723029 CC1(CC(=NO1)C2=CC(=CC=C2)F)C3=NN=C(O3)CC4=CC=CC=C4 1 3.373 3 2 -6.94638681741083 23723028 CC1(CC(=NO1)C2=CC=C(C=C2)OC(F)(F)F)C3=NN=C(O3)CC4=CC=CC=C4 1 5.288 3 3 -8.45815814122797 23723027 C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-] Br- 1 -0.697 2 0 0 -3.26518062259517 23723026 CC(C)(C)OC(=O)NCCCCCNC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)OC 1 2.278 5 5 0 -17.7042350973378 23723025 CC1(NC(=O)[N+]2=C3N1C(=C([C@H]4[C@]3(C[C@H]2CO)C5=CC=CC=C5N4CC6=CC=CC=C6)C(=O)OC)C(=O)OC)C 1 1.993 4 6 0 -8.37150190206511 23723024 C1CCO[C@@]2(C1)[C@H]([C@@H](C[C@@H](O2)CCO)O)O 1 -0.833 0 5 0 -5.02480569818569e-002 23723023 C1C[C@@]2([C@@H]([C@H](C[C@H](O2)CCO)O)O)OC1 1 -1.289 0 5 0 0.474837917251126 23723022 C1C[C@]2([C@H]([C@@H](C[C@@H](O2)CCO)O)O)OC1 1 -1.289 0 5 0 0.474837917251126 23723021 C1=CC=C(C=C1)N2N=C(N=N2)C3=NC=CS3 1 1.944 5 0 0 -0.194975539475798 23723020 C1=CC=C(C=C1)N2N/C(=C/3\C=C4C=CC=CC4=NC3=O)/N=N2 1 2.917 5 1 -7.70460502102499 23723019 CN1C=CN=C1C2=NN(N=N2)C3=CC=C(C=C3)F 1 1.787 6 0 0 1.29152793198926 23723018 CN1C=CN=C1C2=NN(N=N2)C3=CC(=C(C=C3)Cl)Cl 1 2.91 6 0 1.47978693284357 23723017 C1=CC(=C(C=C1N2NC(=C3N=CC=N3)N=N2)Cl)Cl 1 3.264 6 0 -2.95632057253761 23723016 COC1=C(C=CC=N1)C2=NN(N=N2)C3=CC=CC=C3Br 1 3.202 5 1 -2.35486043211137 23723015 C1=CC(=CC=C1N2NC(=C3N=CC=N3)N=N2)F 1 2.14 6 0 -3.43629006534003 23723014 C1=CC=C2C(=C1)C=C(C=N2)C3=NN(N=N3)C4=CC=CC=C4Br 1 4.016 5 0 3.94819221125263 23723013 C1=CC2=C/C(=C/3\NN(N=N3)C4=CC(=C(C=C4)Cl)Cl)/C(=O)N=C2C=C1 1 4.246 5 1 -6.25145530761509 23723012 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C3=NN(N=N3)C4=CC=CC=C4Br 1 4.89 5 0 3.06315448200098 23720240 C1C(C(CS1(=O)=O)OS(=O)[O-])C2=CC=CC=C2.[Na+] Na+ 1 -0.652 0 5 0 -3.74952152954868 23719920 CC\1=CC(=O)C=C/C1=C(/C2=C(C=C(C=C2)O)C)\C3=CC=CC=C3S(=O)(=O)[O-].[Na+] Na+ 1 2.015 0 5 3.14193998469181 23714999 CC1=CC(=C(C=C1)C(=O)NN=CC2=CC=C(O2)S(=O)(=O)[O-])Cl.[Na+] Na+ 1 0.441 2 5 0 -4.38156718979332 23714998 C1C2CC3CC1CC(C2)(C3)NC(=O)CC(=O)[O-].[Na+] Na+ 1 -0.147 1 3 0 -7.55436961857221 23712841 CCC(=S)/C=C\1/N(C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-].[Na+] Na+ 1 2.389 1 3 -4.83418185991983 23711881 CC(C)CCC(C(C)CC(=O)NNC(=O)C1=CC=CO1)C(=O)[O-].[Na+] Na+ 1 0.764 2 5 0 -12.6569678913881 23711880 CCN(CC)N=NC1=CC=C(C=C1)S(=O)(=O)N2CCSC2C(=O)[O-].[K+] K+ 1 0.886 4 4 0 -13.2517523091144 23707910 CCN1C2=CC=CC=C2N=C1P(=O)(C)[O-].[Na+] Na+ 1 0.324 2 2 0 0.212061797506345 23706069 C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2C3=CC=CC=C3)[O-].[K+] K+ 1 3.556 2 2 -12.3447553573234 23706068 C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2C3=CC=C(C=C3)F)[O-].[K+] K+ 1 3.762 2 2 -11.0785436746677 23704906 C1=CC=C(C=C1)C2=CC(=O)N(C(=C2)C3=CC=CC=C3)[O-].[Na+] Na+ 1 2.212 1 2 1.12847214938701 23704143 CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].O.[Na+] H2O Na+ 1 0.856 2 5 0 -8.0218404550427 23704118 C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2C3=CC=C(C=C3)Cl)[O-].[K+] K+ 1 4.22 2 2 -9.96842200954614 23704117 CSC1=NC(=CC(=O)N1C2=CC=C(C=C2)F)[O-].[K+] K+ 1 2.178 2 2 -4.24237357714578 23702132 C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O.[Na+] H2O Na+ 1 0.498 1 6 0 -23.3129303266483 23701543 CC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-].[K+] K+ 1 2.966 1 2 0.414974976373593 23701559 CCC(=S)/C=C\1/N(C2=CC=CC=C2S1)CCCS(=O)(=O)[O-].[Na+] Na+ 1 1.48 1 3 0 -6.16944850460138 23699854 CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)[O-].[Na+] Na+ 1 6.5e-002 4 4 0 -23.3920998951752 23699673 C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)[O-])F.[K+] K+ 1 6.1e-002 2 5 0 -12.3234458672756 23699211 CCN(CC)N=NC1=CC=C(C=C1)C(=O)[O-].[K+] K+ 1 1.067 3 2 0 -1.1015791011412 23698920 C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O.[Na+] Na+ 1 -0.405 0 9 0 -13.5688704895172 23698919 CC1(C(N2C(S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCNC4=O)C(=O)[O-])C.[Na+] Na+ 1 -1.47 5 6 0 -22.5862114783332 23698195 C1CN(CCN1C(=O)CSS(=O)(=O)[O-])C(=O)C2=COC=C2.[Na+] Na+ 1 -2.818 2 6 0 -15.1397709673419 23698174 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)[O-])CCOC3=CC=CC=C3.[Na+] Na+ 1 0.417 4 5 0 -14.1093937493606 23697615 C1=CC=C(C=C1)CN2C(=NN=C2[S-])C3=CC=C(C=C3)Cl.[Na+] Na+ 1 4.554 3 0 0.138875753155757 23697378 CCCC(C)C1(C(=O)NC(=O)N=C1[O-])CC.[Na+] Na+ 1 1.887 2 3 0 -9.64927193381792 23697355 C1=CC(=CC=C1N=C2C=C(C(=O)C(=C2)Cl)Cl)[O-].[Na+] Na+ 1 2.317 1 2 1.20881616944317 23697223 [Li+].C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCCCC(=O)[O-] Li+ 1 1.144 1 3 0 -16.8091805395099 23697220 CC(C)(C#CC(=O)[O-])OOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Na+] Na+ 1 3.925 0 4 -2.38682983706959 23694214 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)[O-])O)C)O.[Na+] Na+ 1 3.3e-002 0 8 0 -18.8247856503194 23693538 CCC(C)CN1C(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C1[O-])C.[Na+] Na+ 1 3.415 4 2 -4.15605193346398 23690471 C[C@@H]1[C@@H](CC[C@]2(C1CC[C@]3([C@H]2[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)[O-])OC(=O)C)C)O)C)C)O.[Na+] Na+ 1 3.623 0 6 -11.4499591693156 23690383 CC(C(=O)[O-])NC(=O)C1=CN=CC=C1.[Na+] Na+ 1 -1.621 2 3 0 -11.0460722463588 23689184 C1=CSC(=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)[O-])C(F)(F)F.[Na+] Na+ 1 3.346 2 2 -0.234031776177896 23689119 C(CC(=O)[O-])[C@@H](C(=O)O)N.O.[Na+] H2O Na+ 1 -4.933 1 4 0 -9.0809470269675 23687511 C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O.[Na+] H2O Na+ 1 -0.349 1 7 0 -27.1781950314061 23687509 C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)[O-])N)I)I)O.O.[Na+] H2O Na+ 1 2.452 1 4 1.83157726377868 23684368 C1=CC=C(C=C1)C2=CSC(=N2)C(=N[O-])C#N.[K+] K+ 1 1.767 3 1 0 -3.08240401899659 23684367 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C=C2)OC.[Na+] Na+ 1 1.078 1 5 0 -11.4823519368093 23684366 CCCCC(=NS(=O)(=O)C1=CC=C(C=C1)N=NN(C)C)[O-].[K+] K+ 1 2.467 4 3 0 -5.33393597801259 23684365 CCC(=NS(=O)(=O)C1=CC=C(C=C1)N=NN(C)C)[O-].[K+] K+ 1 1.554 4 3 0 -3.971370390395 23684364 CCCC(=NS(=O)(=O)C1=CC=C(C=C1)N=NN(C)C)[O-].[K+] K+ 1 2.011 4 3 0 -6.79895114085426 23684363 CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)[O-])C.[Na+] Na+ 1 0.697 1 4 0 -9.38980819142367 23683211 C[C@@H]1CCC2[C@@]([C@@]13CC[C@](O3)(CC(=O)[O-])CO)(CC[C@@H]([C@@]2(C)CO)O)C.[Na+] Na+ 1 -0.203 0 6 0 -2.66265724618847 23683205 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)COC(=O)CCC(=O)[O-])C.[Na+] Na+ 1 1.767 0 6 0 -20.7337036266936 23682841 CCN(CC)N=NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC(=CC(=N2)C)C.[K+] K+ 1 2.81 6 2 0 -1.39473927780699 23681234 C1=CC(=CC=C1C(/C=C/C(=O)[O-])O)Cl.[Na+] Na+ 1 0.607 0 3 0 -0.146410636201943 23681233 CCCCCN(CCCCC)C(=O)C(CCC(=O)[O-])NC(=O)C1=CC(=C(C=C1)Cl)Cl.[Na+] Na+ 1 3.914 2 4 -14.5346284224437 23681232 C/C(=C/C(=O)[O-])/C=C\C1=CN=CC=C1.[Na+] Na+ 1 0.217 1 2 0 -1.85177104729023 23681135 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C.O.[Na+] H2O Na+ 1 0.883 0 5 0 -22.4830084471836 23679857 CN(C)C1=CC=C(C2=CC=CC=C21)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+] Na+ 1 2.357 3 3 -0.509150355027331 23679856 C1=CC(=CN=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-].[K+] K+ 1 1.716 2 2 0 -1.37426657936864 23679855 CP(=O)(C1=NC2=CC=CC=C2N1CC=C)[O-].[K+] K+ 1 0.592 2 2 0 -2.95779871421805 23679854 CC1(CS(=O)(=O)CC1S(=O)(=O)[O-])NC(=O)CCN(C)CCO.[Na+] Na+ 1 -4.073 2 7 0 -11.1518217407561 23679703 C[C@H](CC(=O)[O-])O.[Na+] Na+ 1 -1.725 0 3 0 -3.36118128397658 23679527 CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@@H](C[C@@H](CC(=O)[O-])O)O)C3=CC=C(C=C3)F.[Na+] Na+ 1 2.77 1 4 -2.3171554145334 23679228 C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)[O-])S(=O)(=O)C3=CC=CC=C3.[Na+] Na+ 1 2.262 1 4 -10.756405809259 23677833 CCCN(CCC)C(=O)C(CCC(=O)[O-])NC(=O)C1=CC=CC=C1.[Na+] Na+ 1 0.761 2 4 0 -17.3854375742144 23675739 CC1=CC(=C(C(=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])C.[Na+] Na+ 1 2.158 2 5 0 -2.02812438801268 23675463 CCC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3SC2=O)[O-].[Na+] Na+ 1 3.349 0 3 -8.55867634817627 23675462 C1=CC=C(C=C1)/C=C/C=NNC2=NC(=O)C(S2)CC(=O)[O-].[Na+] Na+ 1 0.702 3 3 0 -4.4951695161549 23675324 C[C@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-].[Na+] Na+ 1 1.375 0 3 0 0.193788252201507 23675323 CC1=C(C=CC2=C1OC(=C(C2=O)NC(=O)C3=CC(=C(C=C3)[O-])CC=C(C)C)O)OC4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O.[Na+] Na+ 1 3.213 2 11 0 -12.4126467840442 23675322 CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)[O-].[Na+] Na+ 1 -2.807 8 4 0 -36.2312875258574 23675321 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-].[Na+] Na+ 1 -1.067 2 6 0 -17.6734760359463 23675320 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+] Na+ 1 0.826 3 5 0 -12.868624815206 23674480 CC1=C(OC2=C1C(CC(C2)(C)C)O)C(=O)[O-].[Na+] Na+ 1 0.606 0 4 0 -5.75279780086604 23674359 CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)[O-])C.[Na+] Na+ 1 -0.159 3 3 0 -7.74440815631994 23673980 CC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)CC(=O)[O-].[Na+] Na+ 1 -0.803 4 4 0 -10.798151918008 23673720 CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC5=CC=CC=C5)[O-].[Na+] Na+ 1 3.35 4 2 -1.43932721081976 23672770 C1=CC=C2C(=C1)N=C(N2CC(=O)[O-])COC3=CC=C(C=C3)Cl.[K+] K+ 1 1.983 2 3 0 -1.19391767069615 23672769 C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=NC(=CS3)CC(=O)[O-].[Na+] Na+ 1 2.389 1 3 2.77927486157523 23672768 C1=CC(=NC=C1S(=O)(=O)[O-])N.[Na+] Na+ 1 -2.441 2 3 0 -5.02529053416113 23672589 CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.[Na+] Na+ 1 -3.9e-002 2 4 0 -5.48551738044182 23672568 CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)O)SC2)C(=O)[O-].[Na+] Na+ 1 -1.469 6 5 0 -28.4470260063424 23672179 CC(=O)[O-].C1COC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1.[K+] K+ CC(=O)[O-] 1 2.969 0 6 -2.50076143776602 23672178 C1=COC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-].[K+] K+ 1 2.262 1 3 1.77343878953802 23671691 C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CCC(=O)[O-])O)C.[K+] K+ 1 1.461 0 4 0 -10.9429813667148 23670797 C1=CC(=CC=C1F)S(=O)(=O)NCCCCC(C(=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)F.[K+] K+ 1 0.953 2 6 0 -16.2172804215328 23670778 COC1=CC=C/C(=C\NNC2=CC=C(C=C2)S(=O)(=O)[O-])/C1=O.[K+] K+ 1 -1.452 2 5 0 -4.26420628422809 23670524 CC/C(=C\C=C\[C@@H]1C=C[C@@H]2CCC[C@H]2[C@@H]1C(=O)C3=CC=CN3)/[C@H]4[C@H](CC[C@@H](O4)[C@@H](C)C(=O)[O-])C.[Na+] Na+ 1 4.644 1 4 -4.43926482346434 23670336 COC1=C(C=C(C=C1)S(=O)(=O)[O-])P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.[Na+] Na+ 1 2.049 0 5 -9.15537346782808 23669604 C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=CC=C4.[Na+] Na+ 1 2.269 2 3 -7.97237764368942 23669603 CN(CC(CN1CCOCC1)O)S(=O)(=O)[O-].[Na+] Na+ 1 -3.752 2 5 0 -8.4182436580928 23669602 C1CCN(CC1)N=NC2=CC=C(C=C2)C(=O)[O-].[K+] K+ 1 1.286 3 2 0 -1.00223772188838 23669601 CCC(C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)[O-])OC3=CC=CC=C3.[K+] K+ 1 0.458 2 5 0 -11.9106107513636 23669600 CC(C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)[O-])OC3=CC=CC=C3.[K+] K+ 1 -6.6e-002 2 5 0 -11.4728222908204 23669599 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)OCCSS(=O)(=O)[O-].[Na+] Na+ 1 -3.5e-002 2 5 0 -14.2124245093903 23669145 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+] Na+ 1 1.49 3 5 0 -16.6597603791986 23668244 COC1=C(C=CC(=C1)C(CO)O)OS(=O)(=O)[O-].[K+] K+ 1 -2.182 0 7 0 -5.8232447796025 23668194 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+] Na+ 1 1.438 0 5 0 -15.6533318968379 23667894 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)[N-]C3=CC=C(C=C3)C.[K+] K+ 1 3.736 4 4 0 -14.1887299074137 23667893 CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)N=C1P(=O)(C)[O-].[K+] K+ 1 1.314 3 3 0 -6.35279192671371 23667892 CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)N=C1P(=O)(C)[O-].[K+] K+ 1 1.773 3 3 0 -5.16002062438824 23667891 C1CCC2=C(C1)C(=NC(=N2)SCC(=O)[O-])C(F)(F)F.[Na+] Na+ 1 2.012 2 2 -5.24511866042632 23667631 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+] Na+ 1 0.161 3 5 0 -12.3055885509207 23667630 CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+] Na+ 1 0.856 2 5 0 -8.0218404550427 23667628 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+] Na+ 1 1.49 3 5 0 -16.6597603791986 23667299 CC[C@]1(CC[C@@H](O1)[C@@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)[O-])OC)C)O)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C.[Na+] Na+ 1 2.01 0 11 0 -5.9309652961854 23666917 CC1(C2(CCC1(CC2=NO)C(=O)[O-])C)C.[Na+] Na+ 1 1.8e-002 1 3 0 -3.87442399801535 23666879 CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+] Na+ 1 -1.558 5 7 0 -18.3271586637983 23666711 CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)[O-].[Na+] Na+ 1 -2.179 7 5 0 -31.0038741871273 23666110 C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)[O-])N)I)I)O.[Na+] Na+ 1 2.452 1 4 1.83157726377868 23665756 C1=CC2=C(C(=C1)SCC(=O)[O-])N=CC=C2.[Na+] Na+ 1 0.565 1 2 0 -5.47668206152704 23663992 CC(C)C1=C(C(=C(C(=N1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)COC.[Na+] Na+ 1 2.73 1 5 -2.11042307096901 23663979 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)[O-])C.[Na+] Na+ 1 -1.292 3 4 0 -11.2583773709252 23663727 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3P(=O)(C4=CC=CC=C4)[O-].[K+] K+ 1 2.771 3 3 -5.97093900649164 23663726 C1=CC=C2C(=C1)C=CC(=N2)SCCC(=O)[O-].[Na+] Na+ 1 1.352 1 2 0 -3.49464580883518 23663725 CCN(CC)C1=CC=C(C=C1)SS(=O)(=O)[O-].[Na+] Na+ 1 0.368 1 3 0 -5.72141585864286 23663724 CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)[O-].[Na+] Na+ 1 0.831 1 3 0 -2.3633390990572 23663723 CC(C(=O)[O-])SC1=NC2=CC=CC=C2C=C1.[Na+] Na+ 1 1.588 1 2 0 -2.04216947329447 23663722 C/C(=C/C(=O)[O-])/C=C/C1=CC=CO1.[Na+] Na+ 1 0.763 0 3 0 -1.29163980488289 23663714 COC1=CC=CC=C1OCC(=O)[O-].[Na+] Na+ 1 -0.196 0 4 0 -6.78105312775122 23663628 C1=CC(=CC=C1C(=O)[O-])N.[K+] K+ 1 -0.761 1 2 0 -2.02809768072888 23663407 CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].[Na+] Na+ 1 1.462 0 3 0 -5.37167814638336 23663403 CC1(C[C@@H]1C(=O)N/C(=C\CCCCSC[C@@H](C(=O)O)N)/C(=O)[O-])C.[Na+] Na+ 1 -2.933 2 5 0 -13.6424356233315 23663392 CC(=O)N[C@@H]1C[C@@H]([C@H](O[C@H]1O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)[O-])O)O)O)CO)O.[Na+] Na+ 1 -5.302 1 11 0 -17.2930706440085 23662847 C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)C(=O)[O-])C(F)(F)F.[K+] K+ 1 2.966 2 2 -1.79927319281441 23684916 C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)[O-].[K+] K+ 1 0.968 2 2 0 -5.40832055889568 23648037 CC(C)OC1=C(C=C(C=C1)Cl)NC2=NC(=NC(=N2)N3CCCC3)NCCO 1 2.595 6 2 0 0.998673662115631 23648036 CCOC1=C(C=C(C=C1)Cl)NC2=NC(=NC(=N2)N3CCCC3)NCCO 1 2.218 6 2 0 0.983495543885966 23648028 C1CCN(C1)C2=NC(=NC(=N2)NCCO)NC3=CC=CC=C3OC(F)(F)F 1 3.341 6 2 0 1.01192026869252 23648026 C1CCN(C1)C2=NC(=NC(=N2)NCCO)NC3=CC=CC=C3OC4=CC=CC=C4 1 2.781 6 2 0 1.46179875740431 23648024 C1CCN(C1)C2=NC(=NC(=N2)NCCO)NC3=CC=CC=C3O 1 0.979 6 2 0 3.42216924756807 23648023 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCCC3)NCCO 1 1.205 6 2 0 0.840817522677815 23648022 COC1=CC=CC(=C1)NC2=NC(=NC(=N2)N3CCCC3)NCCO 1 1.205 6 2 0 1.59026416889807 23648021 COC1=CC=CC=C1NC2=NC(=NC(=N2)N3CCCC3)NCCO 1 1.205 6 2 0 -0.781373207082289 23648019 C1CCN(C1)C2=NC(=NC(=N2)NCCO)NC3=CC=CC=C3Cl 1 1.886 6 1 0 1.59479502946647 23648018 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCCC3)NCCO 1 1.707 6 1 0 1.25378373182196 23648012 COC1=C(C=C(C=C1)Cl)NC2=NC(=NC(=N2)N3CCCCC3)NCCO 1 2.325 6 2 0 1.42227777859788 23641207 C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-] [O-]S(=O)(=O)c1ccccc1 1 5.81 2 12 0 -15.2023932572763 23641206 CC(=O)O[C@H]1C[C@@H]2CCC3[C@@H](C2(CC1[N+]4(CCCCC4)C)C)CCC5([C@H]3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-] Br- 1 2.793 2 4 -13.8572647264346 23641203 CC1=CC(=CC(=C1)SCC2=NOC(=C2C(=O)NCCC(C)C)C(=O)NCCC(C)C)C 1 5.465 3 3 -10.1436533562821 23641201 COC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC(=C)CC3)[N+](=O)[O-] 1 3.634 3 4 0 -10.1402388664623 23641200 C=C1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 2.489 2 4 -4.26585539402059 23641199 CC(C)CCNC(=O)C1CC(=NO1)C2=CC=CC=C2[N+](=O)[O-] 1 2.28 3 4 0 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CC1=CC=C(C=C1)C2=NOC(C2)C3=NN=C(O3)C4=CC=CC=C4 1 3.307 3 2 1.12881658518953 23640897 COC1=CC=C(C=C1)C2=NOC(C2)C3=NN=C(O3)C4=CC=CC=C4 1 2.805 3 3 0.71585037604539 23640896 C1C(ON=C1C2=CC=CC=C2)C3=NN=C(O3)C4=CC=CC=C4 1 2.821 3 2 -0.536105931886385 23640895 CC1(CC(=NO1)C2=CC=C(C=C2)OC)C3=NN=C(O3)C4=CC=C(C=C4)Cl 1 3.781 3 3 -1.40889726720785 23640894 CC1(CC(=NO1)C2=CN=CC=C2)C3=NN=C(O3)C4=CC=C(C=C4)Cl 1 2.647 4 2 -1.41089551924911 23640893 CC1=C(SC(=N1)C(=O)NC2=CC(=CC(=C2)Cl)F)C3(CC(=NO3)C4=CC=CC=C4)C 1 4.518 3 2 -2.30795494099608 23640892 CC1=C(SC(=N1)C(=O)NC2CCCCC2)C3(CC(=NO3)C4=CN=CC=C4)C 1 2.779 4 2 -7.71764927520208 23640891 CC1(CC(=NO1)C2=CC=CC=C2)C3=NN=C(O3)CC4=CC=CC=C4 1 3.168 3 2 -11.9171086671376 23640890 CC1(CC(=NO1)C2=CC=NC=C2)C3=NN=C(O3)CC4=CC=CC=C4 1 2.017 4 2 -11.8067542142166 23640889 COC1=CC(=CC(=C1OC)OC)CCCN2[C@@H](CNC(=O)C2=O)CC3=CC=CC4=CC=CC=C43 1 3.905 2 5 0 -6.02721410481979 23640888 CCCC[C@@H]1CN=C(N1CCCC)N 1 2.591 3 0 -3.5478937953855 23640887 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CCC(C)[C@H]1CN=C(N1CC2CCCCC2)N 1 3.314 3 0 -3.65072969795005 23640798 C1CCC(CC1)CN2[C@H](CN=C2N)CC3=CC=CC=C3 1 3.571 3 0 -8.16535667418905e-003 23640797 CC(C)(C)CN1[C@H](CN=C1N)CC2=CC=CC=C2 1 2.847 3 0 -1.13698164610932 23640796 CC(C(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CC=CC=C4)C(=O)C5=C(O2)C=CC(=C5)Cl)OC6=CC=CC=C6 1 4.641 2 5 0 -6.38336605189012 23640795 CC(C)C1=NC(=NC(=C1)C2=NOC(=C2)C(=O)NC3=CC=CC=C3)NCCOC 1 3.095 5 3 0 -5.75282069408567 23640794 CC(C(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CC=CC=C4)C(=O)C5=C(O2)C=CC(=C5)F)OC6=CC=CC=C6 1 4.182 2 5 0 -7.87980077390969 23640793 CC(C(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CN=CC=C4)C(=O)C5=C(O2)C=CC(=C5)F)OC6=CC=CC=C6 1 3.032 3 5 0 -8.46321515811479 23640792 CC(C)(C)OC(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CC=C(C=C4)Cl)C(=O)C5=C(O2)C=CC(=C5)Cl 1 4.896 2 5 0 -2.19055337746079 23640791 CC(C)C1=NC(=NC(=C1)C2=NOC(=C2)C(=O)NC3=CC=CC=C3)NC4CCCC4 1 4.628 5 2 0 -4.50402818946005 23640790 CC(C(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CC=C(C=C4)Cl)C(=O)C5=C(O2)C=CC(=C5)F)OC6=CC=CC=C6 1 4.847 2 5 0 -5.29025420495943 23640789 C1CCCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)Cl 1 4.322 0 2 -2.16412717895562 23640788 CC1=NC(=NC(=C1)C2=NOC(=C2)C(=O)NC3=CC=CC=C3)NCC4CC4 1 2.917 5 2 0 -4.87619760781544 23640787 CCCNC1=NC(=CC(=N1)C(C)C)C2=NOC(=C2)C(=O)NC3=CC=CC=C3 1 4.098 5 2 0 -2.8478936951994 23640786 CC(C)C1=NC(=NC(=C1)C2=NOC(=C2)C(=O)NC3=CC=CC=C3)NCC4CC4 1 4.046 5 2 0 -4.00385402125903 23640785 CCCNC1=NC(=CC(=N1)C)C2=NOC(=C2)C(=O)NC3=CC=CC=C3 1 2.969 5 2 0 -3.72023728175582 23640784 CC1=NC(=NC(=C1)C2=NOC(=C2)C(=O)NC3=CC=CC=C3)NC4CCCC4 1 3.498 5 2 0 -5.37637177601647 23640783 CC1=NC(=NC(=C1)C2=NOC(=C2)C(=O)NC3=CC=CC=C3)NCCOC 1 1.965 5 3 0 -6.62516428064209 23640782 CC1=NC(=NC(=C1)C2=NOC(=C2)C(=O)NC3=CC=CC=C3)SC 1 3.302 4 2 -5.02755955217173 23640781 C1C(ON=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F 1 5.451 2 3 -1.78000903463809 23640780 C1C(ON=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)C(F)(F)F 1 4.273 2 2 -4.47245086767718 23640779 CC1=NC(=NC(=C1)C2=NOC(=C2)C3=CC=CC=C3)NC4=CC=C(C=C4)OC 1 4.39 4 2 2.91220216380309 23640778 CC1=CC=C(O1)CNC(=O)C2CC(=NO2)C3=CC=CC=C3C(F)(F)F 1 2.658 2 3 -7.2874651012367 23640777 CC(C)(C)OC(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CC=CC=C4)C(=O)C5=C(O2)C=CC(=C5)F 1 3.773 2 5 0 -3.99418894323868 23640776 C1C(ON=C1C2=CC=CC=C2F)C(=O)NCC3=CC(=CC=C3)C(F)(F)F 1 3.536 2 2 -4.68580690058259 23640775 C1C(ON=C1C2=CC=CC=C2F)C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 4.479 2 2 -7.11977163388512 23640774 C1C(ON=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=CO3 1 2.513 2 3 -5.79961860000217 23640773 COCCNC(=O)C1CC(=NO1)C2=CC=C(C=C2)C(F)(F)F 1 1.617 2 3 0 -7.71105020522166 23640772 C1C(ON=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC(=CC=C3)Br 1 4.079 2 2 -3.39514123725977 23640771 C1C(ON=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 5.216 2 2 -5.59779343948812 23640770 CCCCN(CCCC)CCCNC(=O)C1CC(=NO1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F 1 5.548 3 2 -8.3338270450721 23640769 CC(C)(C)OC(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CC=C(C=C4)Cl)C(=O)C5=C(O2)C=CC(=C5)F 1 4.437 2 5 0 -1.69767383633666 23640768 C1C(ON=C1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)NCC3=CC(=CC=C3)Br 1 5.022 2 2 -5.02560476978762 23640767 CCCCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCCCC 1 4.653 3 3 -5.60491112214301 23640765 C/C=C(\C)/C(=O)NCCN1[C@H](CN2C1=NC[C@@H]2CC3=CC=CC=C3)CC4=CC=C(C=C4)OC 1 4.268 4 2 -10.5254711254317 23640764 C/C=C(\C)/C(=O)NCCN1[C@H](CN2C1=NC[C@H]2CC3=CC=CC=C3)CC4=CC=C(C=C4)OC 1 4.268 4 2 -10.5254711254317 23640763 C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)C2=CC=NC=C2)O 1 1.167 2 4 0 -10.6215778549072 23640762 COC(C/C=C\C(=O)COCC1=CC=CC=C1)OC 1 1.764 0 4 0 -6.25815281033104 23640761 COC(C[C@H]1[C@@H](O1)C(=O)COCC2=CC=CC=C2)OC 1 1.128 0 5 0 -12.4291213329025 23640760 COC(C[C@@H]1[C@H](O1)C(=O)COCC2=CC=CC=C2)OC 1 1.128 0 5 0 -12.4291213329025 23637153 CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)C(=O)O)C.[Cl-] Cl- 1 4.105 3 2 1.89685341405066 23637151 C[N+]1=C(SC(=N1)NC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)C(=O)O.[Cl-] Cl- 1 4.071 3 2 2.66269153013464 23637149 C[N+]1=C(SC(=N1)NC2=CC(=CC=C2)F)C3=CC=C(C=C3)C(=O)O.[Cl-] Cl- 1 3.368 3 2 4.32003846699278 23637147 CCCCNC1=N[N+](=C(S1)C2=CC(=CC=C2)C)C.[Cl-] Cl- 1 3.771 3 0 3.94010593033376 23637145 CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=CC=C(C=C3)C(=O)O)C.[Cl-] Cl- 1 3.633 3 3 1.16699443022888 23637143 C[N+]1=C(SC(=N1)NC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O.[Cl-] Cl- 1 3.163 3 2 1.97963741145639 23619665 CN(C)CCN1C2=CC=CC=C2N=C1COC3=CC=CC=C3.O.Cl Cl- H2O 1 3.45 3 1 1.1758793089095 23618032 CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)OC)N)O.Cl Cl- 1 -0.798 7 5 0 -14.4515128534514 23615628 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.[Na+] Na+ 1 -0.338 3 6 0 -15.4739130259972 23615578 CCN1CCC2=C(CC1)OC(=N2)N.Cl Cl- 1 0.487 3 1 0 -1.07630088814592 23612567 C1CN(CCC1N2C(=O)OC(=N2)C3=CC=CC=C3)C(=O)C4(CC4)C5=CC=C(C=C5)Cl 1 3.968 3 3 -5.14614856016036 23612563 CC1=CC=CC=C1NC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(S3)Cl 1 3.188 3 2 -6.12686896687275 23612562 CC1=C(C(=CC=C1)C)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(S3)Cl 1 3.674 3 2 -5.78170327216115 23612554 C1CN(CCC1N2C(=O)OC(=N2)C3=CC=CC=C3)C(=O)C4(CC4)C5=CC=CC=C5 1 3.304 3 3 -8.3713488224416 23612552 CC1=CC=C(C=C1)C2(CC2)C(=O)N3CCC(CC3)N4C(=O)OC(=N4)C5=CC=CC=C5 1 3.79 3 3 -6.96814725074718 23612550 COC1=CC=C(C=C1)C2(CC2)C(=O)N3CCC(CC3)N4C(=O)OC(=N4)C5=CC=CC=C5 1 3.288 3 4 0 -7.38111345989132 23610582 CCOC1=CC(=C(C=C1N2C=NN=N2)OCC)S(=O)(=O)N3CCN(CC3)S(=O)(=O)CC 1 -0.145 6 6 0 -35.8542308877418 23610258 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNCC3=CC=C(C=C3)F 1 1.014 3 4 0 -19.2523399749967 23610255 C1=CC=C(C(=C1)CN2C3=C(C(=NNC3=O)C(F)(F)F)N=N2)Cl 1 3.072 5 1 -11.223311009851 23610218 CC1=C(C=CC(=C1)S(=O)(=O)NCCOC2=CC=C(C=C2)C(=O)C)N3C=NN=N3 1 1.486 5 4 0 -20.7694180264567 23610181 CC(=O)C1=CC=C(C=C1)OCCNS(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1 5 4 0 -20.746468716045 23610162 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3F 1 3.774 2 1 -2.85181210604384 23609712 COC1=CC(=CC(=C1OC)OC)NC(=O)C2CCN(CC2)C3=NC=CN=C3 1 0.817 4 4 0 -0.991067000265789 23609659 C1CN(CCC1NC(=O)C2=CC=CC=C2Cl)C3=NC=CC=N3 1 1.607 4 1 0 -2.46898664830652 23609658 C1CN(CCC1NC(=O)C2=C(C=CC=C2F)F)C3=NC=CC=N3 1 1.354 4 1 0 -2.86414091952432 23609657 C1CN(CCC1NC(=O)C2=CC=CC=C2F)C3=NC=CC=N3 1 1.148 4 1 0 -3.66175795063198 23609652 C1CN(CCC1NC(=O)C2=CC(=CC=C2)F)C3=NC=CC=N3 1 1.148 4 1 0 -1.27390582350031 23609643 C1COC2=C(O1)C=CC(=C2)NC(=O)CN3N=C(N=N3)C4=CC=CC=C4N 1 1.18 6 3 0 -8.3811310906202 23609429 CCC1=C(SC(=N1)NC(=O)C2=C(N=C(S2)C)C)C(=O)OC 1 1.998 3 3 0 -11.3418402664404 23609268 CC1=CC(=CC=C1)CN2CCC(CC2)CNC(=O)NC3=CC(=C(C=C3)F)Cl 1 4.574 3 1 1.87378196032068 23609263 COC1=CC=CC(=C1)NC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)F 1 3.407 3 2 -5.94050738580916e-002 23609261 C1CN(CCC1CNC(=O)NC2=C(C=CC(=C2)F)F)CC3=CC=C(C=C3)F 1 3.835 3 1 -1.79014039435993 23609260 CCOC1=CC=C(C=C1)NC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)F 1 3.756 3 2 -1.18233362025378 23609230 CC1=CC=CC=C1CN2CCC(CC2)CNC(=O)NC3=C(C=C(C=C3)F)F 1 4.115 3 1 -3.42400008552284 23609225 CC1=CC=CC=C1CN2CCC(CC2)CNC(=O)NC3=CC(=C(C(=C3)OC)OC)OC 1 3.655 3 4 0 -7.62785509900702 23609204 CC1=CC(=C(C=C1)C)CN2CCC(CC2)CNC(=O)NC3=CC(=C(C=C3)F)Cl 1 5.061 3 1 1.12596877683015 23609203 CC1=CC(=C(C=C1)C)CN2CCC(CC2)CNC(=O)NC3=CC(=C(C=C3)C)F 1 4.882 3 1 0.521486179936281 23609155 C1CN(CCC1CNC(=O)NC2=CC=CC=C2F)CC3=CC=CC=C3Cl 1 4.088 3 1 -4.16646669531642 23609099 COC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=NC=CN=C3 1 0.85 4 2 0 4.04913230255128 23609045 CC1=NNC(=O)C2=C1N=NN2CC3=CC=C(C=C3)OC 1 1.303 5 2 0 -12.7623438227825 23609012 CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=C(C=C(C=C3)F)Cl 1 4.593 2 1 4.28792298342564 23608995 C=CC1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 3.788 2 1 0.536269161663664 23608910 CC1=CC(=C(C=C1)C)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)C(=O)OC 1 4.064 2 3 -1.16111609679924 23608909 COC(=O)C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 3.092 2 3 -1.58266550417466 23608902 CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)Br 1 4.471 2 1 3.01012119843892 23608901 CC1=CC(=C(C=C1)C)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)Br 1 4.957 2 1 2.8173162852775 23608898 C1CCC2=C(C1)C(=NN(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4 1 4.67 2 1 -3.8850789103853 23607881 COC1=CC=CC(=C1)CNC(=O)C2CCCN(C2)C3=NC=CN=C3 1 0.992 4 2 0 -5.99167788537451 23607880 CC1=CC(=CC=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3 1 1.488 4 1 0 3.56990543873242 23607879 C1CC(CN(C1)C2=NC=CN=C2)C(=O)NC3=CC=C(C=C3)Cl 1 1.666 4 1 0 3.50425857599011 23607872 C1CC(CN(C1)C2=NC=CN=C2)C(=O)NCC3=CC=CC=C3 1 1.008 4 1 0 -6.38476543940447 23607871 CC1=CC(=C(C=C1)C)NC(=O)C2CCCN(C2)C3=NC=CN=C3 1 1.974 4 1 0 0.541543045143494 23607870 C1CC(CN(C1)C2=NC=CN=C2)C(=O)NC3=CC(=CC=C3)Cl 1 1.666 4 1 0 4.43112914210874 23607869 C1CC(CN(C1)C2=NC=CN=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F 1 1.951 4 1 0 -2.34326439532143 23607868 C1CC(CN(C1)C2=NC=CN=C2)C(=O)NC3=CC=C(C=C3)F 1 1.207 4 1 0 2.39413691086855 23607866 C1CC(CN(C1)C2=NC=CN=C2)C(=O)NCCC3=CC=CC=C3 1 1.33 4 1 0 -6.64201871510325 23607865 CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC=CN=C3 1 1.495 4 1 0 -5.56995053462487 23607864 COC1=CC=CC=C1CNC(=O)C2CCCN(C2)C3=NC=CN=C3 1 0.992 4 2 0 -8.09717457483493 23607861 C1CC(CN(C1)C2=NC=CN=C2)C(=O)NCC3=CC=C(C=C3)Cl 1 1.673 4 1 0 -3.74795184403805 23607837 C1CC(CN(C1)C2=NC=CN=C2)C(=O)NCC3=CC=C(C=C3)F 1 1.214 4 1 0 -4.85807350915962 23607824 C1CN(CCC1OC2=CC=C(C=C2)N3C=NN=N3)S(=O)(=O)C4=CC=CC=C4 1 1.438 5 3 0 -26.4058451895753 23607812 COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC 1 2.97 2 5 0 -14.6020218512548 23607777 CC(C)C(COC1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 2.464 5 4 0 -21.4235386201365 23607755 CC1=CC=C(C=C1)NC(=O)N2CCC(CC2)OC3=CC=C(C=C3)OC 1 3.226 2 3 -6.41234554646651 23607754 COC1=CC=C(C=C1)NC(=O)N2CCCC(C2)C3=CC=CC=C3 1 3.404 2 2 -1.89098506796671 23607753 CC1=CC=C(C=C1)NC(=O)N2CCCC(C2)C3=CC=CC=C3 1 3.907 2 1 -1.47801885882257 23607739 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)OC3=CC=CC(=C3)C(F)(F)F 1 3.979 1 3 -10.2239850745101 23607733 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)OC3=CC=C(C=C3)OC 1 2.274 1 5 -18.6863435820564 23607732 C1=CC(=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3)C(F)(F)F 1 2.153 5 2 0 -10.1757651434693 23607722 COC1=CC=C(C=C1)OC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.534 1 4 -14.9604444488896 23607720 COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3)OC 1 1.171 5 4 0 -18.417652709637 23607719 C1=CC(=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3)F 1 1.416 5 2 0 -13.0596550053363 23607718 CCCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 0.663 6 2 0 -25.173789631259 23607712 COC1=CC=C(C=C1)OC2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.502 1 6 0 -18.3188750158435 23607710 CCCCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 2.516 5 3 0 -14.9831107254065 23607670 C1CC(CN(C1)C2=NC=CN=C2)C(=O)NCC3=CC=CC=C3F 1 1.214 4 1 0 -7.0069282840074 23607669 COC1=CC=C(C=C1)OC2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.74 1 4 -13.3525577841882 23607668 CC1=CC=CC=C1CNC(=O)C2CCCN(C2)C3=NC=CN=C3 1 1.495 4 1 0 -6.72172726521381 23607667 CCC1=CC(=CC=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3 1 1.944 4 1 0 2.53160506794754 23607666 C1CC(CN(C1)C2=NC=CN=C2)C(=O)NC3=CC(=CC=C3)F 1 1.207 4 1 0 3.47326555103374 23607665 COC1=CC=CC=C1NC(=O)C2CCCN(C2)C3=NC=CN=C3 1 0.985 4 2 0 -1.21153001871671 23607664 CC1=CC(=CC=C1)CCNC(=O)C2CCCN(C2)C3=NC=CN=C3 1 1.816 4 1 0 -4.56810244108143 23607662 CC1=CC=CC=C1CCNC(=O)C2CCCN(C2)C3=NC=CN=C3 1 1.816 4 1 0 -7.58400474785879 23607659 COC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3 1 0.985 4 2 0 1.26929367625915 23607531 CCCC1=NNC(=O)C2=C1N=NN2CC3=CC=CC=C3 1 2.442 5 1 -15.1413629116714 23607520 CCCC1=NNC(=O)C2=C1N=NN2CC3=CC=CC=C3F 1 2.648 5 1 -14.9398068056522 23607518 CC(C)CC1=NNC(=O)C2=C1N=NN2CC3=CC=CC=C3F 1 2.9 5 1 -13.729234990746 23607492 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C3=CC=C(C=C3)C)N4CCN(CC4)CCO 1 4.248 3 5 0 -4.28099954864209 23607448 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)CCO 1 3.762 3 5 0 -4.87848883990927 23607445 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C 1 4.301 3 4 0 -5.69035345473423 23607360 CC1=CC=NC2=NC(=NN12)NC(=O)C3=CC=CO3 1 1.224 5 2 0 -9.9797074615843 23607144 CCC(C1=NC2=CC=CC=C2N1CCC3=CC=CC=C3)O 1 4.052 2 1 -5.5677765008474 23607059 CCOC1=C(C=CC=C1OC)C(=O)NCC2(CCCC2)C3=CC=CC=C3 1 4.392 1 3 -19.1875406163709 23607058 CC(C)OC1=C(C=C(C=C1)C(=O)NCC2(CCCC2)C3=CC=CC=C3)OC 1 4.77 1 3 -21.0518649481172 23606916 CC1=NNC(=O)C2=C1N=NN2CC3=CC=CC=C3Cl 1 1.984 5 1 0 -12.1191421837259 23606897 CC1=NNC(=O)C2=C1N=NN2CC3=CC=C(C=C3)F 1 1.525 5 1 0 -11.6375005881731 23606527 CCC1=CC=CC=C1N2N=C(N=N2)C3=CC=CC=C3 1 4.024 4 0 0.318931950793187 23606543 CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CCOCC3 1 1.953 1 4 0 -6.91528637310254 23606545 CCOC1=CC=C(C=C1)N(C)CC2=CC(=O)OC3=C2C=C(C=C3)OCC 1 4.27 1 4 -3.02506544576007 23606507 C1CCN(CC1)C2(CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C(=O)N 1 1.144 3 3 0 -10.9379035001845 23606216 CC1=C2C3=C(C(=O)N=NN3)SC2=NC(=C1Br)C 1 3.345 4 1 -6.78647006866979 23606214 CC1=C(C(=C2C3=C(C(=O)N=NN3)SC2=N1)COC)Br 1 2.662 4 2 -9.0535867500324 23605832 COC1=CC=CC(=C1)C2=NOC(=N2)CCCC(=O)NC3CCCC3 1 2.746 3 3 -5.41520039919357 23605826 C1CCC(C1)NC(=O)CCCC2=NC(=NO2)C3=CC=CC=C3Cl 1 3.427 3 2 -9.52635847648539 23605765 COC1=CC=C(C=C1)N2CCN(CC2)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.876 3 3 -6.27078737355188 23605752 C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC5=C(C=C4)OCCO5)S(=O)(=O)C6=CC=CC=C6 1 1.712 6 5 0 -17.1617113411549 23605751 C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC5=C(C=C4)OCCO5)S(=O)(=O)C6=CC=CC=C6F 1 1.917 6 5 0 -15.7332262005 23605733 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=C(C=C5)OC 1 2.396 6 4 0 -13.4129894113896 23605731 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2Cl)C3=NC(=O)C4=NNN(C4=N3)CC5=CC6=C(C=C5)OCCO6 1 2.511 6 5 0 -12.9965909214545 23605723 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=C(C=C5)C(=O)OC 1 2.402 6 5 0 -14.8573585280222 23605722 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC(CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=C(C=C5)C(=O)OC 1 2.753 6 5 0 -14.3650463103335 23605721 COC(=O)C1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F 1 1.987 6 5 0 -16.2805491837585 23605718 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC6=C(C=C5)OCCO6 1 2.333 6 5 0 -14.1306340207172 23605717 C1CC(CN(C1)S(=O)(=O)C2=CC(=CC=C2)Cl)C3=NC(=O)C4=NNN(C4=N3)CC5=CC6=C(C=C5)OCCO6 1 2.511 6 5 0 -12.1450126506258 23605716 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC6=C(C=C5)OCCO6 1 1.847 6 5 0 -15.0266436599534 23605715 C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC5=C(C=C4)OCCO5)S(=O)(=O)C6=CC=C(C=C6)F 1 1.917 6 5 0 -15.5538246764535 23605713 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC(CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC6=C(C=C5)OCCO6 1 2.684 6 5 0 -13.7781597072502 23605688 COC1=CC=C(C=C1)C(CCN2CCOCC2)(C3=CC=CC=C3)O 1 2.566 1 3 -0.209886681009514 23605411 CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)OC)C 1 2.808 4 3 0 -15.3240748611136 23605387 CC1=CC(=O)N=C2C1=CNN2C(C)C3=CC=CC=C3 1 1.636 3 1 0 -5.70211033408378 23605333 CN1C(=O)CCC(C1=O)(CCC(=O)O)C2=CC=CC=C2O 1 1.174 1 5 0 -2.61468109728052 23605331 C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4F)S(=O)(=O)C5=CC6=C(C=C5)OCCO6 1 1.917 6 5 0 -18.2468930854557 23605237 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)NC3=CC=C(C=C3)C(F)(F)F 1 2.37 3 3 -2.44785079498896 23605218 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C(=O)N)N3CCCCC3 1 1.102 3 5 0 -21.4697336935726 23605217 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCCC3 1 2.179 2 4 -15.8273976683047 23605091 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)N(C2CCCCC2)C(C)C 1 3.355 3 3 -7.74488964389821 23604969 C1CCC(C(C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)N3CCN(CC3)C4=CC=CC=C4F 1 4.809 3 2 1.68441038081327 23604968 COC1=CC=C(C=C1)N2CCN(CC2)C3CCCCC3NS(=O)(=O)C4=CC=C(C=C4)Cl 1 4.587 3 3 0.698232825155061 23604967 CCN1CCN(CC1)C2CCCCC2NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.281 3 2 -2.0083980227025 23604965 COC1=CC=CC=C1N2CCN(CC2)C3CCCCC3NS(=O)(=O)C4=CC=C(C=C4)Cl 1 4.587 3 3 -1.08276508931899 23604963 C1CCC(C(C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)N3CCN(CC3)C4=CC=C(C=C4)F 1 4.809 3 2 1.82307605976445 23604962 CC1CC(CN(C1)C2CCCCC2NS(=O)(=O)C3=CC=C(C=C3)Cl)C 1 4.53 2 2 -6.00569271122827 23604961 CCCN1CCN(CC1)C2CCCCC2NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.804 3 2 -1.12272720549423 23604959 CN1CCN(CC1)C2CCCCC2NS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.932 3 2 -0.401742119251633 23604958 C1CCC(C(C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)N3CCC(CC3)O 1 2.407 2 3 -2.18648304861433 23604946 C1CCC(C(C1)NS(=O)(=O)C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4F 1 4.145 3 2 -1.20201094602211 23604945 COC1=CC=C(C=C1)N2CCN(CC2)C3CCCCC3NS(=O)(=O)C4=CC=CC=C4 1 3.923 3 3 -2.01977550466791 23604944 CCN1CCN(CC1)C2CCCCC2NS(=O)(=O)C3=CC=CC=C3 1 2.616 3 2 -4.72640635252547 23604942 COC1=CC=CC=C1N2CCN(CC2)C3CCCCC3NS(=O)(=O)C4=CC=CC=C4 1 3.923 3 3 -3.96918641615437 23604941 C1CCC(C(C1)NS(=O)(=O)C2=CC=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)F 1 4.145 3 2 -0.894932270058523 23604940 CCCN1CCN(CC1)C2CCCCC2NS(=O)(=O)C3=CC=CC=C3 1 3.14 3 2 -3.84073553531721 23604938 CN1CCN(CC1)C2CCCCC2NS(=O)(=O)C3=CC=CC=C3 1 2.267 3 2 -3.11975044907461 23604937 C1CCC(C(C1)NS(=O)(=O)C2=CC=CC=C2)N3CCC(CC3)O 1 1.743 2 3 0 -4.9044913784373 23604936 CC1CN(CCN1C2=CC=CC(=C2)C)C3CCCCC3NS(=O)(=O)C4=CC=CC=C4 1 4.803 3 2 -8.84936800917887 23604934 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3CCCCC3NS(=O)(=O)C4=CC=CC=C4 1 5.09 3 2 0.40178460444401 23604933 CC1=CC(=C(C=C1)C)N2CCN(CC2)C3CCCCC3NS(=O)(=O)C4=CC=CC=C4 1 4.912 3 2 -2.28770479891729 23604931 C1CCC(C(C1)NS(=O)(=O)C2=CC=CC=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 4.604 3 2 2.69839162748659 23604922 CCN1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.462 3 2 -11.4668242603797 23604919 C1CN(CCC1O)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 2.589 2 3 -10.7730000518577 23604918 CN(C1CCCCC1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 5.014 2 2 -5.18939568079156 23604911 CCN1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3 1 3.284 3 2 -13.2888229509665 23604910 CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)F 1 4.813 3 2 -9.45734886849956 23604901 COC1=CC=C(C=C1)N2CCN(CC2)C(CNS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.105 3 3 -11.7712332043934 23604900 CCN1CCN(CC1)C(CNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.798 3 2 -14.4778640522509 23604899 COC1=CC=CC=C1N2CCN(CC2)C(CNS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.105 3 3 -13.7206441158798 23604897 CN(C1CCCCC1)C(CNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.35 2 2 -8.20043547266278 23604885 CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2NC3=CC=C(C=C3)OC 1 4.099 2 3 -7.24872615082689 23604884 CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2NC3=CC=CC=C3OC 1 4.099 2 3 -8.70393239811014 23604881 CC1=CC(=C(C=C1)C)NC2CCCCC2NS(=O)(=O)C3=CC=CC=C3 1 4.601 2 2 -7.98687852760736 23604880 CC1=CC(=C(C=C1)NC2CCCCC2NS(=O)(=O)C3=CC=CC=C3)C 1 4.601 2 2 -8.58195952415209 23604867 CN1C2=C(C(=CC(=N2)C(=O)OC)C3=CC=C(C=C3)Br)C(=O)NC1=O 1 2.709 3 4 0 -4.04600419094352 23604754 CC1=NN2C(=C(C=NC2=C1C3=CC=CC=C3OC)C4=CC=CC=C4)N 1 3.198 4 1 -3.61781432248264 23604753 CC1=NC2=C(C=NN2C(=C1C3=CC=CC=C3)N)C4=CC=CC=C4 1 3.214 4 0 -3.44051947343559 23604728 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)NC3CCCCC3 1 3.926 3 1 -11.754957622742 23604704 CC1=C(C(=CC=C1)C)NC(=O)N2CCC=CC2 1 2.732 2 1 -5.41910455959743 23604688 C1CCCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O 1 2.685 1 4 -9.92973078690678 23604368 CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)SN=N3 1 3.64 3 1 -10.6968929751281 23603958 CC1=C(C=C(C=C1)N2C3=NC(=C(C(=C3C(=N2)C)C)CCC(=O)NCCOC)C)C 1 3.896 4 2 -15.2378820794283 23603948 CCN(CC)CCNC(=O)CCC1=C(N=C2C(=C1C)C(=NN2C3=CC(=C(C=C3)C)C)C)C 1 4.863 5 1 -12.3777509474896 23603769 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC(=C(C=C2)C)F)C3=NC4CS(=O)(=O)CC4S3 1 3.571 3 4 0 -10.7511802613373 23603766 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)OC)C3=NC4CS(=O)(=O)CC4S3 1 2.863 3 5 0 -13.0528303676713 23603742 CC1=C(C=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)OC)C3=NC4CS(=O)(=O)CC4S3)C 1 3.503 3 4 0 -11.9762792502597 23603740 COC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(F)(F)F)C3=NC4CS(=O)(=O)CC4S3 1 3.473 3 4 0 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-23.059856953298 23603583 C1CCC(CC1)NC(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O 1 2.042 3 5 0 -20.5036412866051 23603580 CC1=NC(=CC=C1)NC(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O 1 1.431 4 5 0 -17.2176256781092 23603532 CC1=CC=C(C=C1)N2C3=NC(=C(C(=C3C(=N2)C)C)CCC(=O)NCCCOC(C)C)C 1 4.199 4 2 -18.7812874793656 23603531 CC1=CC=C(C=C1)N2C3=NC(=C(C(=C3C(=N2)C)C)CCC(=O)NCCCOC)C 1 3.473 4 2 -17.5230796311768 23603500 CCN(CC)CCNC(=O)CCC1=C(N=C2C(=C1C)C(=NN2C3=CC=C(C=C3)C)C)C 1 4.377 5 1 -14.0293363233845 23603499 CCCNC(=O)CCC1=C(N=C2C(=C1C)C(=NN2C3=CC=C(C=C3)C)C)C 1 4.414 4 1 -15.4681598531418 23603441 C1=CC(=CN=C1)C2=NC(=CS2)CNS(=O)(=O)C3=CC=C(C=C3)F 1 1.975 3 2 0 -2.71545317465935 23603439 C1=CC(=CN=C1)C2=NC(=CS2)CNS(=O)(=O)C3=CC=C(C=C3)Br 1 2.518 3 2 -3.06199125463922 23603421 CC1=NC(=CS1)CNS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 1.223 2 4 0 -10.6409518964437 23603420 CCC1=CC=C(C=C1)S(=O)(=O)NCC2=CSC(=N2)C 1 2.198 2 2 -5.39581404566243 23603418 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CSC(=N2)C 1 1.742 2 2 0 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CN(CC1=CC=CO1)C(=O)C2=CC3=C(S2)C4=C(C=C(C=C4)Cl)S(=O)(=O)C3 1 3.716 1 4 -2.61401412350584 23602671 CN(C1=C(C=C(C=C1)OC)OC)C(=O)C2=CC3=C(S2)C4=C(C=C(C=C4)Cl)S(=O)(=O)C3 1 4.494 1 5 -2.42061572984213 23602530 CC1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C=CC=N3)CCC(=O)O 1 2.338 3 3 -6.44454289788488 23602456 CCN(C1=C(C=CC(=C1)OC)OC)C(=O)C2=CC3=C(S2)C4=CC=CC=C4S(=O)(=O)C3 1 4.179 1 5 -6.22041068525181 23602449 CN(C1=CC(=C(C=C1OC)OC)Cl)C(=O)C2=CC3=C(S2)C4=CC=CC=C4S(=O)(=O)C3 1 4.494 1 5 -6.01412424679223 23602364 CC1CCCC(N1CCCNC(=O)C(=O)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O)C 1 2.55 5 3 0 -24.1941559489305 23602319 CCOC(=O)C1CCCN(C1)C(=O)C(=O)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O 1 1.694 4 5 0 -21.105919999332 23602318 C1CCC2=NC3=C(C=C(C=C3)NC(=O)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F)C(=O)N2CC1 1 2.718 5 3 0 -12.3089596698446 23602306 CC1CCCN(C1)C(=O)C(=O)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O 1 2.119 4 3 0 -17.4464597432625 23602303 C1CCC2=NC3=C(C=C(C=C3)NC(=O)C(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)N2CC1 1 2.512 5 3 0 -13.282139890452 23602300 C1CCC2=NC3=C(C=C(C=C3)NC(=O)C(=O)N4CCN(CC4)C5=CC=CC=C5F)C(=O)N2CC1 1 2.718 5 3 0 -12.4476253487958 23602296 CCOC(=O)C1CCN(CC1)C(=O)C(=O)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O 1 1.559 4 5 0 -20.4657554784702 23602262 CC(C)C1=CC=C(C=C1)CNC2=NC=C(C=N2)Br 1 3.434 3 0 -0.659165247493977 23602193 CC1=C(C(=NC2=NC(=NN12)CNC(=O)C3=CC(=CC=C3)F)C)CCC(=O)NC4=CC(=C(C=C4)OC)OC 1 2.934 6 4 0 -24.5214912667461 23602115 CC1=CC(=NC2=NC(=NN12)CNS(=O)(=O)C3=CC=C(C=C3)CC(C)C)C 1 2.839 5 2 0 -5.74345497765553 23602113 CC1=CC(=NC2=NC(=NN12)CNS(=O)(=O)C3=C(C=CC(=C3)Cl)OC)C 1 1.836 5 3 0 -10.2142503419019 23602110 CC1=CC(=NC2=NC(=NN12)CNS(=O)(=O)C3=CC=CC=C3C(=O)OC)C 1 1.044 5 4 0 -16.4841509150136 23602109 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2=NN3C(=CC(=NC3=N2)C)C)C 1 2.647 5 2 0 -8.65715116699689 23602094 CC1=CC(=NC2=NC(=NN12)CNS(=O)(=O)C3=CC(=C(C=C3)F)C)C 1 1.88 5 2 0 -10.8264203322867 23602093 CC1=CC(=NC2=NC(=NN12)CNS(=O)(=O)C3=C(C=CC(=C3)OC)OC)C 1 1.155 5 4 0 -11.9794339966352 23602075 CCOC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)NC(=O)C3=C(C=CC=C3F)F 1 4.751 1 4 -8.43262412856224 23602062 CC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)C)N 1 2.733 2 1 -2.8470380867053 23601664 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC(=CC=C3)Cl)C)CC(=O)N4CCC5(CC4)OCCO5 1 2.228 4 4 0 -11.9487126044568 23601657 CC1CC(CN(C1)CCCNC(=O)CN2C(=O)C3=C(N(C(=C3C=N2)C)CC4=CC=CC=C4Cl)C)C 1 3.714 5 2 0 -20.0771900431092 23601653 CCC1CCCCN1CCCNC(=O)CN2C(=O)C3=C(N(C(=C3C=N2)C)CC4=CC=CC=C4Cl)C 1 3.977 5 2 0 -17.3797893838966 23601602 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3Cl)C)CC(=O)N4CCC5(CC4)OCCO5 1 2.228 4 4 0 -14.7011051843887 23601572 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3F)C)CC(=O)NCCN4CCOCC4 1 1.325 5 3 0 -18.2746605206906 23601497 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3F)C)CC(=O)N4CCOCC4 1 1.392 4 3 0 -14.8338755490518 23601477 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=C(C=C3)F)C)CC(=O)NCCN4CCOCC4 1 1.325 5 3 0 -15.9409844226916 23601403 CC1CC(CN(C1)CCCNC(=O)CN2C(=O)C3=C(N(C(=C3C=N2)C)CC4=CC=C(C=C4)Cl)C)C 1 3.714 5 2 0 -17.4768865086615 23601370 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=C(C=C3)Cl)C)CC(=O)NCC4=CC=CC=N4 1 2.605 5 2 0 -14.6351240478313 23601351 CC1=CC=C(C=C1)CN2C(=C3C=NN(C(=O)C3=C2C)CC(=O)NCCN4CCOCC4)C 1 1.605 5 3 0 -16.8411580424906 23601330 CC1=CC=C(C=C1)CN2C(=C3C=NN(C(=O)C3=C2C)CC(=O)NC4CCCC4)C 1 3.181 4 2 -12.4268966289016 23601324 CC1=CC=C(C=C1)CN2C(=C3C=NN(C(=O)C3=C2C)CC(=O)NCC4=CC=CC=N4)C 1 2.427 5 2 0 -16.6454193327519 23601299 CC1CCCCN1CCCNC(=O)CN2C(=O)C3=C(N(C(=C3C=N2)C)CC4=CC=CC=C4)C 1 2.789 5 2 0 -18.3673182861683 23601296 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3)C)CC(=O)NCCCN4CCCCC4 1 2.411 5 2 0 -15.2618575805398 23601295 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3)C)CC(=O)NCCN4CCOCC4 1 1.119 5 3 0 -17.4676763529364 23581831 CCOC(=O)CCCCCNC(=O)C1=C(C=C(C=C1)F)F 1 2.986 1 3 -15.9088214762866 23581813 CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.O.Cl Cl- H2O 1 5.666 3 1 3.83112862231066 23581812 C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N.O H2O 1 0.984 2 4 0 -4.14177504467276 23581809 C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.O.Cl Cl- H2O 1 -0.748 7 1 0 -3.22199474296681 23581806 C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O.O H2O 1 -0.651 5 7 0 -14.6094787473851 23581796 C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC 1 4.832 1 12 0 -10.0441478838762 23581794 C[C@@H]1CC=CC=C[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC(=O)CC(C)C)N(C)C)O)CC=O)C)O 1 2.957 1 15 0 -17.5010400490643 23581793 C[C@H]1C=CC=C(C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\NN5CCN(CC5)C6CCCC6)C(=O)[C@](O4)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C 1 2.79 4 12 0 -12.9200000765004 23581792 CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7.O.Cl Cl- H2O 1 3.686 4 6 0 -5.11441995451004 23474778 CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C 1 3.71 3 1 2.73273860306039 23410754 CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)NC3=NC=CS3 1 0.945 3 3 0 -8.52857509244597 23410601 CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)N3CCCCCC3 1 2.435 2 3 -8.20934447246339 23410475 CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)N3CCOCC3 1 0.749 2 4 0 -9.77764092223898 22137726 CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC(=CC=C4)OC 1 3.357 2 3 2.46676424795939 22109931 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CC2=CNC3=CC=CC=C32 1 1.839 3 5 0 -15.5740355692377 22109067 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 1.771 3 6 0 -22.107779790146 22109066 CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.182 3 5 0 -14.9190275478633 22108324 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(O2)CC3=CC=C(C=C3)OC 1 2.353 4 4 0 -19.9839938881948 22046313 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NC2=NC=CN=C2 1 0.638 5 4 0 -10.3207696061502 22015567 CC1=CC=C(C=C1)C2=CC3=C(C(=NO3)C4=CC=CC=C4)C(=O)N2C 1 3.859 2 2 2.12181404183758 23161118 CC(C)C1=CC=CC=C1OS(=O)(=O)N 1 1.761 1 3 0 -4.08849063886533 23007433 COC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Br-] Br- 1 1.676 2 3 0 -3.67411914617951 23004603 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)F)C 1 2.002 4 3 0 -10.0672448134472 23004564 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 1.788 4 3 0 -12.4477332842089 23004561 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)NCC3CCN(CC3)CC4=CC=CC=C4Cl 1 1.947 4 3 0 -13.2305571418075 23004556 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)NC(C)C3=CC=CC=C3 1 0.971 3 3 0 -17.4950709502872 23004554 CCC(CC1=CC=CC=C1)NS(=O)(=O)C2=C(N=C3N(C2=O)C=CS3)C 1 1.816 3 3 0 -15.5179587557641 23004552 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(N=C3N(C2=O)C=CS3)C 1 -0.575 4 5 0 -24.5685072256957 23004541 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 1.51 4 3 0 -13.637589410357 22989655 CC1CCN(CC1)CCC2=NC3=CC=CC=C3N2 1 3.029 3 0 -0.286093504643608 22887897 C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O.O H2O 1 -3.673 3 5 0 -13.883106157009 22831239 CC1=C(C(=CC=C1)C)OCC(=O)NNC(=O)CCNC(=O)C2=CC=CO2 1 1.382 3 5 0 -17.3532477336032 22831237 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=NC4=CC=CC=C4N3 1 1.21 5 3 0 -4.85014393857144 22830891 CC(C(=O)NCC1CCCO1)SC2=NN=C(N2N)C3=CC=CS3 1 1.566 5 2 0 -18.307075490029 22830586 CC1CCCN(C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C 1 2.749 2 5 0 -20.3508545571846 22830497 CCCCC1=NN=C(S1)NC(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C 1 4.015 6 1 0 -6.38284355596169 22829045 COC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=C(C(=O)C3=CC=CC=C32)NC4=CC=C(C=C4)O 1 3.354 2 5 0 2.49524432237395 22773129 C1COCCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 1.624 2 4 0 -8.07371396924797 22770764 CCCNC(=O)N1[C@@H](C[C@@]23C1=NC(=C([C@@H]2N(C4=CC=CC=C34)CC=C)C(=O)OC)C(=O)OC)C(=O)OC 1 2.231 4 7 0 -21.0102633119517 21545164 C1=CC2=C(C3=C1C(=O)C=CN3)NC=CC2=O.Cl Cl- 1 0.596 2 2 0 -3.23064429252583 21510419 CC1=CC2=C(C=C1)NC3=C2CNCC3.Cl Cl- 1 2.227 2 0 2.22950695036693 21422218 CC1=C(C=C(C=C1)C(C2CN3CCC2CC3)(C4=CC(=C(C=C4)C)C)O)C.Cl Cl- 1 5.173 1 1 4.44731092639708 22589780 C1=CC=C(C=C1)NC2=NN3C(=O)C4=C(C=C(C=C4)C(=O)NCC5=CC=CC=N5)N=C3S2 1 3.505 6 2 0 -16.3767156729089 22589638 COCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCN3CCCCC3 1 2.346 4 3 0 -26.5666968522132 22589631 CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4CCCO4 1 3.347 4 4 0 -32.5572460749424 22589630 C1CC(OC1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4Cl 1 3.525 4 4 0 -32.7249948005287 22589629 COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4CCCO4 1 2.844 4 5 0 -32.7109011159237 22589626 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4CCCO4 1 3.193 4 5 0 -33.7364354357946 22589558 COC1=CC=CC=C1CNC(=O)CCC2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC(=O)NCC5CCCO5 1 2.717 5 5 0 -36.9242722208378 22589554 COC1=CC=C(C=C1)CNC(=O)CCC2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC(=O)NCC5CCCO5 1 2.717 5 5 0 -34.6416013927595 22589549 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1.658 3 5 0 -13.4694409138875 22586150 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C)C)C 1 1.414 4 6 0 -9.94812057054889 22586146 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C)C)C 1 1.636 4 5 0 -8.89432028457455 22586139 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NC2=NC=CC(=C2)C)C)C)C 1 1.047 4 5 0 -12.623514178721 22586133 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)N2CCN(CC2)C3=CC(=CC=C3)OC)C)C)C 1 1.414 4 6 0 -8.80537084357226 22586132 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NC2=CC=C(C=C2)F)C)C)C 1 1.377 3 5 0 -12.5692672940885 22586131 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NC2=CC(=CC=C2)F)C)C)C 1 1.377 3 5 0 -11.4901386539233 22586130 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NC2=CC=CC=C2F)C)C)C 1 1.377 3 5 0 -14.5359954665674 22586129 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NC2=CC=CC(=C2C)C)C)C)C 1 2.144 3 5 0 -12.4631816419815 22586128 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NC2=C(C=C(C=C2)F)F)C)C)C 1 1.583 3 5 0 -12.9710766813959 22586123 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NC2=CC=C(C=C2)OC)C)C)C 1 1.155 3 6 0 -13.6230675800628 22586122 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NC2=CC=CC(=N2)C)C)C)C 1 0.843 4 5 0 -13.0574078311289 22584801 COC1=CC(=C(C=C1)C2=NN=C(O2)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)Cl)OC 1 2.464 3 6 0 -7.23282154039372 22584751 CC1C2=C3C(=CC(=C2)S(=O)(=O)NC4=CC=CC=C4C)CCCN3C1=O 1 2.992 2 3 -10.4932983274378 22584750 CCOC1=CC=CC=C1NS(=O)(=O)C2=CC3=C4C(=C2)CCCN4C(=O)C3C 1 2.838 2 4 -13.6774325063248 22584748 CC1C2=C3C(=CC(=C2)S(=O)(=O)NCC4=CC=CC=C4Cl)CCCN3C1=O 1 3.177 2 3 -11.5811097248919 22584745 CC1C2=C3C(=CC(=C2)S(=O)(=O)NCC4=CC=CC=C4OC)CCCN3C1=O 1 2.497 2 4 -12.7446943346184 22584744 CC1C2=C3C(=CC(=C2)S(=O)(=O)NCCC4=CC=CC=C4)CCCN3C1=O 1 2.834 2 3 -11.8468175118688 22584743 CC1CCCN(C1)S(=O)(=O)C2=CC3=C4C(=C2)CCCN4C(=O)C3C 1 2.372 2 3 -18.6431864457012 22584737 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C4C(=C2)CCCN4C(=O)C3C)C 1 2.691 2 3 -19.8591912960486 22584732 CC1C2=C3C(=CC(=C2)S(=O)(=O)NCC4=CC=C(C=C4)OC)CCCN3C1=O 1 2.497 2 4 -9.97128336856413 22584731 CC1C2=C3C(=CC(=C2)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)F)CCCN3C1=O 1 2.97 3 3 -16.0123707674281 22584729 CC1C2=C3C(=CC(=C2)S(=O)(=O)NCCC4=CC=CC=C4OC)CCCN3C1=O 1 2.818 2 4 -15.8078048263248 22584727 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C4C(=C2)CCCN4C(=O)C3C 1 2.838 2 4 -10.0332948001069 22584725 CC1C2=C3C(=CC(=C2)S(=O)(=O)NCCC4=CC(=C(C=C4)OC)OC)CCCN3C1=O 1 2.801 2 5 0 -15.582921448824 22584722 CC1C2=C3C(=CC(=C2)S(=O)(=O)NC4=CC=CC(=C4)C)CCCN3C1=O 1 2.992 2 3 -7.12651144011507 22584719 CC1C2=C3C(=CC(=C2)S(=O)(=O)NC4=CC=C(C=C4)OC)CCCN3C1=O 1 2.49 2 4 -9.26707164839884 22584718 CC1C2=C3C(=CC(=C2)S(=O)(=O)NCC4=CC=C(C=C4)Cl)CCCN3C1=O 1 3.177 2 3 -7.73631846883318 22584717 CC1C2=C3C(=CC(=C2)S(=O)(=O)NCC4=CC=C(C=C4)C)CCCN3C1=O 1 2.999 2 3 -9.55831715941999 22584716 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C4C(=C2)CCCN4C(=O)C3C 1 3.061 2 3 -14.6764602631221 22584715 CC1C2=C3C(=CC(=C2)S(=O)(=O)N(C)CC4=CC=CC=C4)CCCN3C1=O 1 2.719 2 3 -11.1721295655056 22584713 CC1C2=C3C(=CC(=C2)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5F)CCCN3C1=O 1 2.97 3 3 -16.1510364463793 22584712 CC1C2=C3C(=CC(=C2)S(=O)(=O)N(C)C4=CC=CC=C4)CCCN3C1=O 1 2.712 2 3 -13.095482085023 22584710 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C 1 3.016 2 3 -8.88706907468502 22584709 CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3 1 3.016 2 3 -10.1548156710664 22584201 COC1=CC=C(C=C1)S(=O)(=O)N2CCOC23CCN(CC3)C(=O)C4=C(C=C(C=C4)Cl)Cl 1 3.517 2 5 0 -8.05484073846327 22584199 COC1=CC=C(C=C1)S(=O)(=O)N2CCOC23CCN(CC3)C(=O)C4=C(C=CC=C4Cl)F 1 3.058 2 5 0 -12.4399362735159 22584190 COC1=CC=C(C=C1)S(=O)(=O)N2CCOC23CCN(CC3)C(=O)C4=CC=CC=C4Br 1 2.937 2 5 0 -11.4853274512017 22584172 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC23CCN(CC3)C(=O)C4=C(C=C(C=C4)Cl)Cl 1 4.02 2 4 -7.64187452931913 22584171 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC23CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)Cl 1 4.02 2 4 -9.2983245487165 22584164 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC23CCN(CC3)C(=O)C4=CC=CC=C4Br 1 3.439 2 4 -11.0723612420576 22584094 CNC(=O)C(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)F 1 1.566 2 4 0 -10.5817490659884 22584050 CCOC(=O)C(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.021 1 5 -5.42034184364486 22584025 CCNC(=O)C(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)C 1 2.196 2 4 -9.5616450030553 22584024 CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NC)C2=CC=CS2 1 1.847 2 4 0 -11.2936260914536 22583638 C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCN(CC4)C5=CC=CC=C5 1 4.333 5 2 0 -17.683386329154 22583636 CCC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2CCOC)NC4=CC=CC=C43 1 2.728 6 3 0 -25.1224097616206 22583629 CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CC(OC(C4)C)C 1 2.878 4 3 0 -19.8353375670185 22583590 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC(=C(C=C4)OC)Cl 1 2.844 3 5 0 -19.3291407980523 22583585 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC(=CC(=C4)OC)OC 1 2.163 3 6 0 -21.7808453462241 22583571 CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C4CCC4 1 2.601 3 4 0 -25.3729217857258 22583538 CC1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C 1 2.682 3 4 0 -16.6066803873069 22583523 CC1=CC(=C(C=C1)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C 1 3.168 3 4 0 -19.6350427808958 22583522 CC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C 1 2.682 3 4 0 -20.2812559689714 22583519 CCOC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C 1 2.528 3 5 0 -19.5336773972665 22583113 CC1=NC(=CO1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)SC 1 2.964 2 3 1.36321504020417 22583105 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=COC(=N3)C)Br 1 3.657 2 3 -1.8330758199807 22583103 CC1=NC(=CO1)C2=CC=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)OC)OC 1 2.389 2 5 0 -3.25047383242493 22583102 CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=COC(=N3)C 1 2.626 2 5 0 -6.04868430922605 22583099 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=COC(=N3)C)C 1 3.395 2 3 -2.74418896256638 22583098 CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CC=C(C=C3)C4=COC(=N4)C 1 3.545 3 3 -16.798149630187 22583096 CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC=C(C=C2)C3=COC(=N3)C 1 3.463 2 3 -6.19274175504376 22583095 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)C3=COC(=N3)C 1 3.395 2 3 -2.25315931772413 22583091 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C3=COC(=N3)C 1 2.908 2 3 -2.5465406415796 22583088 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=COC(=N4)C)C 1 3.653 3 3 -7.50687674400093 22583086 CC1=NC(=CO1)C2=CC=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)Br)F 1 3.376 2 3 0.596039443510047 22583085 CC1=NC(=CO1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.127 3 5 0 -3.65078339610949 22583081 CC1=NC(=CO1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.681 3 3 -10.8528974350342 22583080 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=COC(=N3)C 1 2.755 2 4 -1.89824051991487 22583076 CC1=NC(=CO1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)OC 1 2.665 3 4 0 -9.86181072205952 22583053 CC1=NC(=CO1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl 1 3.087 2 3 2.00960444767488 22583051 CC1=NC(=CO1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 2.406 2 4 -1.13201736820685 22583050 CC1=NC(=CO1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)OC 1 2.406 2 4 -0.795525623487039 22583044 CC1=NC(=CO1)C2=CC=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)OC)OC 1 2.389 2 5 0 -5.78609103387864 22583043 CC1=NC(=CO1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)OC)OC 1 2.389 2 5 0 -6.06938355806349 22583041 CC1=NC(=CO1)C2=CC=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)F)F 1 2.833 2 3 -1.61443864254164 22582984 C1CSC2=NN=C(N21)NC(=O)C3=CC=C(O3)Br 1 1.591 4 2 0 -9.10042542387252 22582983 C1CSC2=NN=C(N21)NC(=O)C3=CC=CO3 1 1.023 4 2 0 -7.78721543942386 22581682 COC1=CC=C(C=C1)C2=CN3C(=N2)C=CC(=N3)SCC(=O)NC4CCCCC4 1 4.032 4 2 -10.0817560419163 22581613 CC(C)C(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)F 1 3.342 1 3 -8.90836913681835 22581612 CC(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)F 1 2.212 1 3 -6.25229982714538 22581589 CCCC(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.794 1 3 -13.2900977922448 22581584 CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(C)C)C2=CC=CS2 1 3.622 1 3 -9.62024616228361 22581583 CCC(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)C 1 3.16 1 3 -8.71351137627644 22581577 CCCC(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)C 1 3.616 1 3 -15.1120964828316 22581555 CN1C2=C(C(=NC(=N2)C3=CC=CC=C3OC)SCC(=O)N4CCCCCC4)C(=O)N(C1=O)C 1 3.06 5 4 0 -18.5375695130543 22581481 CN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)NC4=CC=CC=C4OC)C(=O)N(C1=O)C 1 2.151 5 4 0 -21.974268479859 22581458 C1=CC(=CC=C1F)S(=O)(=O)CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N 1 1.528 3 5 0 -8.56201620273888 22581457 C1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N 1 1.323 3 5 0 -10.6977014616889 22581455 CC1=CSC(=N1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3S2(=O)=O 1 0.965 3 4 0 -7.31830770290722 22581374 C1=CC(=CC=C1F)S(=O)(=O)CCC(=O)NC2=NC(=CS2)C3=CC=NC=C3 1 2.239 3 3 -7.51620995776388 22581373 C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F 1 2.668 3 3 -6.15781652669972 22581367 C1=CC(=CC=C1S(=O)(=O)CCC(=O)NC2=NC(=CS2)C3=CC=NC=C3)Cl 1 2.698 3 3 -6.40608829264231 22581363 C1=CC(=CN=C1)C2=CSC(=N2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.698 3 3 -8.37673504089598 22581361 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC(=CS2)C3=CC=NC=C3 1 2.52 3 3 -8.22808698322913 22581360 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC(=CS2)C3=CC=CC=N3 1 2.948 3 3 -6.86969355216497 22581356 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC(=CS2)C3=CN=CC=C3 1 2.52 3 3 -10.1987337314828 22580159 CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=CC=CC=C3 1 4.054 1 1 -2.03313077041448 22580139 C1=CC=C(C=C1)SCC2=CC(=O)C3=CC=CC=C3N2 1 3.568 1 1 -3.37513364568198 22579964 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=NN=NN2C3=CC=CC=C3 1 1.144 5 3 0 -16.4430311581092 22579868 CC1=C(C=C(C=C1)N2C(=NN=N2)CNC(=O)C3=CC=C(O3)Br)C 1 2.637 5 2 0 -14.7342647977235 22579850 CC1=C(C=C(C=C1)N2C(=NN=N2)CNC(=O)C3=CC4=C(C=C3)OCO4)C 1 2.442 5 3 0 -16.0413689509907 22579411 C1=CC=C(C=C1)CCNC(=O)C2=NC(=NO2)CS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.781 3 4 0 -11.468458948809 22579402 C1=CC(=CC=C1CCNC(=O)C2=NC(=NO2)CS(=O)(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)N 1 1.486 4 6 0 -13.5853762810762 22579401 CC1=CC=C(C=C1)CCNC(=O)C2=NC(=NO2)CS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.267 3 4 0 -10.6536440440294 22579280 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC4=NSN=C4C=C3 1 3.973 4 1 1.71382305695391 22579061 CC1=C(C(=NN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C)S(=O)(=O)N3CCOCC3 1 2.264 3 5 0 -12.5242320584826 22579045 CC1=C(C(=NN1S(=O)(=O)C2=CC=C(C=C2)F)C)S(=O)(=O)N3CCOCC3 1 1.069 3 5 0 -14.3904891821286 22579044 CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)N3CCOCC3 1 0.864 3 5 0 -15.99837584683 22578936 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 0.679 4 5 0 -18.9336351239936 22578920 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)Cl 1 1.792 4 4 0 -21.4670792094367 22578906 COC1=CC=C(C=C1)CCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.314 3 5 0 -24.2436891751573 22578905 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC=C(O3)Br 1 1.803 3 5 0 -20.3080610695464 22578890 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC=CC=C3Br 1 2.588 3 4 0 -19.1974879867799 22578889 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.79 3 7 0 -22.5362555369903 22578886 CC(C)OC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.55 3 5 0 -20.7212040005349 22578883 COC1=CC=C(C=C1)CCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.314 3 5 0 -23.0448168426661 22578882 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC=C(O3)Br 1 1.803 3 5 0 -18.5270631550724 22578877 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)COC3=CC=CC=C3OC 1 1.659 3 6 0 -22.6249908355591 22578875 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)COC3=CC=C(C=C3)Cl 1 2.339 3 5 0 -17.2334362717642 22578860 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)C3CCCCC3 1 2.302 3 4 0 -18.1548196046327 22578855 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)CCNC(=O)C3=CC=C(O3)Br 1 2.025 3 4 0 -17.402219920463 22578854 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 1.179 4 5 0 -20.2226968158801 22578850 COC1=CC=C(C=C1)OCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 1.88 3 5 0 -18.3435579368858 22578848 COC1=CC=CC=C1OCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 1.88 3 5 0 -21.6689204498591 22578846 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)CCNC(=O)COC3=CC=C(C=C3)Cl 1 2.561 3 4 0 -15.9633164659553 22578834 C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)CCNC(=O)C3=CC=C(O3)Br 1 2.025 3 4 0 -17.5408855994142 22578826 C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)CCNC(=O)COC3=CC=C(C=C3)Cl 1 2.561 3 4 0 -16.1019821449064 22578822 COC1=C(C=C(C=C1)Cl)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.71 3 4 0 -15.623894737495 22578821 C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 2.81 3 3 -16.0455742444095 22578820 C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)CCNC(=O)C3=CC(=CC=C3)Br 1 2.81 3 3 -16.0664371018969 22576823 C1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N(C1=O)CC(=O)NC4=CC=CC=C4Cl 1 1.737 3 5 0 -23.4402017473919 22576707 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C)/C=C/C4=CC=CC=C4F 1 2.01 4 4 0 -9.43764234096971 22576698 CCCN1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)/C=C/C4=CC=C(C=C4)C 1 3.163 4 4 0 -9.18810229322741 22576696 CC1=CC=C(C=C1)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C 1 2.29 4 4 0 -8.46711720698481 22576667 CC(C)OC1=CC=C(C=C1)CNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3 1 1.727 3 5 0 -19.370860453714 22576666 CC1=CC(=CC=C1)CNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3 1 1.503 3 4 0 -16.9412384019542 22576665 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCOCC4 1 2.132 4 4 0 -19.48333835588 22576406 CC1=CC(=NO1)NC(=O)CSC2=NC=C(N2CC3=CC=C(C=C3)OC)CO 1 1.822 4 4 0 -24.5221365403191 22576340 CC1=CC(=NO1)NC(=O)CSC2=NC=C(N2CC3=CC=C(C=C3)F)CO 1 2.044 4 3 0 -23.3972933057097 22576126 C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4Cl 1 4.765 4 2 0.842470826189551 22576124 C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F 1 5.043 4 2 6.1486205469262 22576116 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4 1 4.433 4 3 0 1.37366429874174 22576113 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4 1 4.571 4 3 0 1.48959206408482 22576111 CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)C 1 5.073 4 2 3.85807567254757 22576110 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)C 1 5.073 4 2 2.5529201941385 22576109 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4 1 4.587 4 2 2.55285365959391 22575804 CC1=CC(=O)N(C2=C1C(=NN2C3=CC=CC=C3)C)CC(=O)NC4CC4 1 2.087 4 2 -9.34804858707113 22575787 CC1=CC(=O)N(C2=C1C(=NN2C3=CC=CC=C3)C)CC(=O)NCCN4CCOCC4 1 1.424 5 3 0 -13.248703820493 22589823 CCC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4)SC2=S 1 6.416 3 3 -16.0560295053783 22554749 COC1=CC=C(C=C1)S(=O)CC2=CC=C(O2)C(=O)NCC3=CC(=CC=C3)OC 1 3.075 1 5 -4.87282459188994 22554748 COC1=CC=C(C=C1)S(=O)CC2=CC=C(O2)C(=O)NC3CC3 1 1.998 1 4 0 -3.86168064644764 22554742 COC1=CC=C(C=C1)S(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.99 2 6 0 -2.0167893017704 22554724 CC1=CC=C(C=C1)S(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4CCCCC4 1 4.032 2 3 0.782034223158143 22554723 CC1=CC=C(C=C1)S(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)OC 1 3.829 2 4 2.48186580094196 22554707 CCN1CCN(CC1)CCNC(=O)C2=CC=C(O2)CS(=O)C3=CC=C(C=C3)Cl 1 2.634 3 3 -2.26170645854079 22554701 C1CCN(CC1)CCCNC(=O)C2=CC=C(O2)CS(=O)C3=CC=C(C=C3)Cl 1 3.307 2 3 -2.18746577016358 22554672 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC=C(O3)CS(=O)C4=CC=C(C=C4)Cl 1 2.671 2 5 0 0.218175597960563 22554668 CCCN1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)C3=CC=C(C=C3)Cl 1 3.224 2 3 1.34015473390286 22554664 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)CS(=O)C4=CC=C(C=C4)Cl 1 4.008 2 4 4.30386449152878 22554657 COC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)CS(=O)C3=CC=CC=C3 1 3.091 1 4 -4.72886113384919 22554643 CCN1CCN(CC1)CCNC(=O)C2=CC=C(O2)CS(=O)C3=CC=C(C=C3)Br 1 2.718 3 3 -3.71836620364223 22554642 CCN1CCN(CC1)CCCNC(=O)C2=CC=C(O2)CS(=O)C3=CC=C(C=C3)Br 1 2.78 3 3 -3.91115364215771 22554639 CN(CCCNC(=O)C1=CC=C(O1)CS(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3 1 4.057 2 3 -0.926895077845842 22554637 C1CC1NC(=O)C2=CC=C(O2)CS(=O)C3=CC=C(C=C3)Br 1 2.762 1 3 -3.08337549181812 22554609 C1COCCN1CCNC(=O)C2=CC=C(O2)CS(=O)C3=CC=CC=C3Cl 1 2.015 2 4 -4.67086880069393 22554578 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(O3)CS(=O)C4=CC=CC=C4Cl 1 3.413 3 3 2.016385829703 22554575 C1COCCN1C(=O)C2=CC=C(O2)CS(=O)C3=CC=CC=C3Cl 1 2.082 1 4 -2.54177726263263 22554570 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(O3)CS(=O)C4=CC=CC=C4Cl 1 4.024 2 3 2.86678052340791 22554569 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)CS(=O)C4=CC=CC=C4Cl 1 4.008 2 4 3.92888600687026 22554567 C1CCCN(CC1)C(=O)C2=CC=C(O2)CS(=O)C3=CC=CC=C3Cl 1 3.768 1 3 -0.973480812857041 22554549 CCCN1CCN(CC1)CCCNC(=O)C2=CC=C(O2)CS(=O)C3=CC=CC=C3C 1 3.041 3 3 -3.05682530422363 22554541 CC1=CC=CC=C1S(=O)CC2=CC=C(O2)C(=O)NCCCN3CCCCC3 1 3.129 2 3 -3.03091276885406 22554539 CC1=CC=CC=C1S(=O)CC2=CC=C(O2)C(=O)NCCN3CCOCC3 1 1.837 2 4 0 -5.23673154125067 22554538 CC1=CC=CC=C1S(=O)CC2=CC=C(O2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 3.705 2 3 1.80566042685132 22554536 CC1=CC=CC=C1S(=O)CC2=CC=C(O2)C(=O)NC3CC3 1 2.5 1 3 -2.47016274540716 22554529 CC1=CC=CC=C1S(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.493 2 5 0 -0.722665627254696 22554526 CCN(CC1=CC=CC=C1)C(=O)C2=CC=C(O2)CS(=O)C3=CC=CC=C3C 1 4.149 1 3 -4.6564234023312 22554524 CC1=CC=CC=C1S(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)OC 1 3.829 2 4 3.36302326631352 22554470 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC=C(O3)CS(=O)C4=CC(=CC=C4)Cl 1 2.671 2 5 0 0.811070595427782 22554467 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(O3)CS(=O)C4=CC(=CC=C4)Cl 1 3.413 3 3 3.05527808231636 22554462 C1COCCN1C(=O)C2=CC=C(O2)CS(=O)C3=CC(=CC=C3)Cl 1 2.082 1 4 -1.57390378050689 22554457 C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(O3)CS(=O)C4=CC(=CC=C4)Cl 1 4.21 2 3 3.29432213773696 22554454 C1CCCN(CC1)C(=O)C2=CC=C(O2)CS(=O)C3=CC(=CC=C3)Cl 1 3.768 1 3 -5.60733073130193e-003 22554426 CC1=CC(=CC=C1)S(=O)CC2=CC=C(O2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 3.705 2 3 2.5491917166451 22554405 CC1=CC(=CC=C1)S(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.493 2 5 0 -5.01531079485326e-002 22554398 CC1=CC(=CC=C1)S(=O)CC2=CC=C(O2)C(=O)N3CCOCC3 1 1.904 1 4 0 -2.43512748388321 22554386 CC1=CC=C(C=C1)C2=C(SC=C2CN3CCN(CC3)C4=CC=C(C=C4)OC)C 1 5.328 2 1 6.92948015010063 22554234 CC1=C(SCCO1)C(=O)NC2=C(C=C(C(=C2)OC)C(=O)NCCN3CCN(CC3)C)Cl 1 1.552 4 4 0 -13.1154861154704 22554231 CCN1CCN(CC1)CCNC(=O)C2=CC(=C(C=C2OC)NC(=O)C3=C(OCCS3)C)Cl 1 1.901 4 4 0 -15.3768893327279 22554218 CCOCCCNC(=O)C1=CC(=C(C=C1OC)NC(=O)C2=C(OCCS2)C)Cl 1 1.736 2 5 0 -20.3945677717067 22554206 CCCNC(=O)C1=CC(=C(C=C1OC)NC(=O)C2=C(OCCS2)C)Cl 1 2.328 2 4 -16.9027790035771 22554202 CC1=C(SCCO1)C(=O)NC2=C(C=C(C(=C2)OC)C(=O)NCCN(C)C)Cl 1 1.595 3 4 0 -12.9747632600248 22554201 CCN(CC)CCCNC(=O)C1=CC(=C(C=C1OC)NC(=O)C2=C(OCCS2)C)Cl 1 2.355 3 4 0 -17.021993249176 22554198 CCC(C)NC(=O)C1=CC(=C(C=C1OC)NC(=O)C2=C(OCCS2)C)Cl 1 2.706 2 4 -19.2437796928526 22554184 CC1=C(C=C(C=C1)C(=O)NCC2=C(C=CC(=C2)OC)OC)NC(=O)C3=C(OCCS3)C 1 2.845 2 5 0 -17.6933355437234 22554154 CC1=C(SCCO1)C(=O)NC2=CC=C(C=C2)CC(=O)NCC3=CC=C(C=C3)OC(C)C 1 3.136 2 4 -18.1883559986386 22554153 CC1=CC=CC=C1CNC(=O)CC2=CC=C(C=C2)NC(=O)C3=C(OCCS3)C 1 2.913 2 3 -17.4975710563117 22554147 CCOC1=CC=C(C=C1)CCNC(=O)CC2=CC=C(C=C2)NC(=O)C3=C(OCCS3)C 1 3.08 2 4 -17.1618335584822 22554140 CC1=C(SCCO1)C(=O)NC2=CC=C(C=C2)CC(=O)NCC3=CC(=CC=C3)OC 1 2.41 2 4 -16.7143976356351 22554134 CC1=C(SCCO1)C(=O)NC2=CC=C(C=C2)CC(=O)NCC3=CC=C(C=C3)OC 1 2.41 2 4 -16.9871639186399 22554095 CCOC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)NC(=O)C3=C(OCCS3)C 1 2.724 2 4 -16.780975047844 22554083 CCCN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)NC(=O)C3=C(OCCS3)C 1 1.839 4 3 0 -13.8037164258718 22554076 CCN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)NC(=O)C3=C(OCCS3)C 1 1.315 4 3 0 -14.044832017395 22554073 CC1=C(SCCO1)C(=O)NC2=CC=C(C=C2)C(=O)NCCCN3CCCCC3 1 1.926 3 3 0 -13.7778038905023 22554058 CC1=C(SCCO1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC(=CC=C3)OC 1 2.375 2 4 -14.1382217588009 22554056 CC1=C(SCCO1)C(=O)NC2=CC=C(C=C2)C(=O)NCCC(C)C 1 2.389 2 3 -17.6392997785897 22554053 CC1=C(SCCO1)C(=O)NC2=CC=C(C=C2)C(=O)NC(C)C3=CC=CC=C3 1 2.769 2 3 -16.0028192729619 22554042 CCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2=C(OCCS2)C 1 2.058 2 3 -18.9855913676413 22554040 CC1=C(SCCO1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.849 3 3 -7.87262967780419 22554035 CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=C(OCCS2)C 1 1.711 2 3 0 -15.5844702627867 22554034 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=C(OCCS4)C 1 3.794 3 3 -6.62554371868428 22554031 CC1=C(SCCO1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.308 3 3 -4.04324587478311 22554023 CCCSCCCNC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=C(OCCS2)C 1 2.843 2 3 -21.2316170206933 22554018 CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C2=C(OCCS2)C 1 1.294 2 3 0 -15.6366375698008 22554017 CCCCNC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=C(OCCS2)C 1 2.623 2 3 -18.7352253358454 22554014 CC1=C(C=C(C=C1)C(=O)NCCCOC(C)C)NC(=O)C2=C(OCCS2)C 1 1.952 2 4 0 -21.3424716632576 22554009 CC1=C(C=C(C=C1)C(=O)NCCOC)NC(=O)C2=C(OCCS2)C 1 1.163 2 4 0 -19.4506516392151 22554008 CC1=C(C=C(C=C1)C(=O)NCCC(C)C)NC(=O)C2=C(OCCS2)C 1 2.875 2 3 -20.2907095658949 22554005 CCCNC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=C(OCCS2)C 1 2.167 2 3 -18.0293440370338 22554001 CCN(CC)CCCNC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=C(OCCS2)C 1 2.193 3 3 -18.1485582826328 22553996 CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=C(OCCS2)C 1 2.544 2 3 -21.6370011549465 22553990 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)NC(=O)C4=C(OCCS4)C 1 3.113 3 4 0 -11.1822952842927 22553989 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3=C(OCCS3)C 1 2.311 2 5 0 -19.6142487440174 22553983 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC(=C(C=C3)C)NC(=O)C4=C(OCCS4)C 1 3.993 3 3 -17.3439590953867 22553980 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)NC(=O)C4=C(OCCS4)C)C 1 4.102 3 3 -7.83184994482667 22553976 CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3=C(OCCS3)C 1 2.669 2 3 -17.7284162074726 22553973 CC1=C(C=C(C=C1)C(=O)N(C)CC2=CC=CC=C2)NC(=O)C3=C(OCCS3)C 1 3.084 2 3 -14.5819231469849 22553972 CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=C(OCCS3)C 1 2.724 2 4 -14.9231305210394 22553969 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6 0 -22.2174018719332 22519420 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCN3C(=O)C)C 1 1.631 2 4 0 -20.2448031293644 22519415 CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)F 1 1.658 2 4 0 -7.64695000683487 22519413 CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)NCC3=CC(=CC=C3)OC 1 1.436 2 5 0 -8.9203922872714 22519412 CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3OC 1 1.436 2 5 0 -11.5452042074986 22519409 CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 2.647 3 4 0 -11.1002794469776 22519405 CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCN3C(=O)C 1 1.186 2 5 0 -10.0157015067873 22519399 CC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCN3C(=O)C 1 2.26 2 4 -9.83251247996932 22519397 CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3 1 1.774 2 4 0 -10.6473273847489 22519390 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCN3C(=O)C 1 1.83 2 4 0 -14.871009943111 22519378 CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCN4C(=O)C 1 2.677 3 4 0 -17.5663756226759 22519373 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCN3C(=O)C 1 1.778 2 5 0 -8.83380467298699 22519372 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCN3C(=O)C 1 1.244 2 4 0 -21.360455781707 22519371 CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCN3C(=O)C 1 1.311 2 4 0 -18.9746980911522 22519370 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCN3C(=O)C 1 1.939 2 4 0 -8.35882703230012 22519368 CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)OC 1 1.688 3 5 0 -15.9629472048285 22519367 CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)OC 1 1.436 2 5 0 -8.77179324144426 22519362 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCN3C(=O)C 1 0.751 2 6 0 -21.8462874325434 22519359 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCCN3C(=O)C 1 2 2 4 0 -15.1561033574222 22519357 CC1CCCC(N1S(=O)(=O)C2=CC3=C(C=C2)OCCN3C(=O)C)C 1 1.747 2 4 0 -14.5545028012138 22519353 CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)OC)OC 1 1.413 2 6 0 -12.8614930911724 22519347 CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)Cl 1 2.438 2 4 -8.0105137893825 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CC1=C(C=C(C=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3)Cl 1 2.161 3 4 0 -15.4495935254909 22519119 CC1=C(C=CC(=C1)F)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3 1 1.702 3 4 0 -17.5075926253819 22519101 CN1C=C(C=C1C(=O)NCC2=CC(=CC=C2)OC)S(=O)(=O)N3CCOCC3 1 1 3 5 0 -18.3182674195425 22519100 CN1C=C(C=C1C(=O)NCC2=CC=CC=C2OC)S(=O)(=O)N3CCOCC3 1 1 3 5 0 -20.2839262047813 22519090 CC1=CC=C(C=C1)CCNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3 1 1.824 3 4 0 -17.0317846043666 22519089 CN1C=C(C=C1C(=O)NCCC2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 1.338 3 4 0 -17.8465995091462 22519084 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3 1 1.214 3 6 0 -20.1640183837351 22519083 CC1=CC(=C(C=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3)C 1 1.982 3 4 0 -18.5534806816013 22519081 CCN(C1=CC=CC(=C1)C)C(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3 1 2.051 3 4 0 -17.8608135903496 22519080 CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3 1 1.982 3 4 0 -17.5697812683173 22519079 CC1=C(C=CC=C1Cl)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3 1 2.161 3 4 0 -14.395362665267 22519074 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCOCC4 1 2.241 4 4 0 -13.9177383375908 22519073 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCOCC4)C 1 2.241 4 4 0 -9.82399083975072 22519067 CC1=CC=C(C=C1)CNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3 1 1.503 3 4 0 -17.7567021645712 22519064 CN1C=C(C=C1C(=O)NCC2=CC=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1 3 5 0 -18.1696683737153 22519059 CC1=C(C(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3)C 1 1.982 3 4 0 -14.6450424084945 22519058 CN1C=C(C=C1C(=O)NCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)N3CCOCC3 1 1.305 3 6 0 -21.5827034461015 22519056 CN1C=C(C=C1C(=O)NC2=C(C=C(C=C2)OC)OC)S(=O)(=O)N3CCOCC3 1 0.977 3 6 0 -20.3598178888033 22519050 CN1C=C(C=C1C(=O)NC2=CC(=C(C=C2OC)OC)Cl)S(=O)(=O)N3CCOCC3 1 1.642 3 6 0 -19.7731148888422 22519049 CN1C=C(C=C1C(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)N3CCOCC3 1 1.681 3 4 0 -19.1203415950547 22519048 CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.674 3 4 0 -13.9196127845912 22519047 CN1C=C(C=C1C(=O)NC2=CC(=CC=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.674 3 4 0 -13.1325801226942 22519044 CN1C=C(C=C1C(=O)N(C)CC2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 1.223 3 4 0 -16.1159149609118 22519031 CN1C=C(C=C1C(=O)N(C)C2=CC=CC=C2OC)S(=O)(=O)N3CCCC3 1 1.973 3 4 0 -16.7006295990266 22519030 CN1C=C(C=C1C(=O)NCC2=CC=C(C=C2)N(C)C)S(=O)(=O)N3CCCC3 1 1.952 4 3 0 -18.1053373075661 22519025 CN1C=C(C=C1C(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 2.455 3 3 -13.6220522383666 22519021 CC1=CC(=CC=C1)CCNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3 1 2.598 3 3 -13.5998699037282 22519017 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3 1 2.253 3 4 0 -15.8747250291914 22519015 CC1=C(C=CC(=C1)F)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3 1 2.475 3 3 -15.1949413897641 22519006 CN1C=C(C=C1C(=O)NC2=CC(=C(C=C2)OC)Cl)S(=O)(=O)N3CCCC3 1 2.431 3 4 0 -14.4036130011981 22519004 CN1C=C(C=C1C(=O)NC2=C(C=CC(=C2)Cl)OC)S(=O)(=O)N3CCCC3 1 2.431 3 4 0 -13.8596777369551 22518993 CN1C=C(C=C1C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)N3CCCC3 1 1.996 3 3 0 -14.7321739034881 22518991 CN1C=C(C=C1C(=O)NCC2=CC(=CC=C2)OC)S(=O)(=O)N3CCCC3 1 1.774 3 4 0 -16.0056161839247 22518990 CN1C=C(C=C1C(=O)NCC2=CC=CC=C2OC)S(=O)(=O)N3CCCC3 1 1.774 3 4 0 -17.9712749691634 22518986 CN1C=C(C=C1C(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)N3CCCC3 1 2.325 3 3 -11.4663182945471 22518985 CC1=CC(=CC(=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3)C 1 2.756 3 3 -14.03299605963 22518982 CC1=CC=C(C=C1)CCNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3 1 2.598 3 3 -14.7191333687488 22518981 CN1C=C(C=C1C(=O)NCCC2=CC=CC=C2)S(=O)(=O)N3CCCC3 1 2.111 3 3 -15.5339482735284 22518980 CC(C1=CC=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3 1 2.168 3 3 -16.9378804460401 22518975 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4)C 1 3.014 4 3 0 -7.51133960413291 22518969 CC1=CC=C(C=C1)CNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3 1 2.276 3 3 -15.4440509289534 22518966 CN1C=C(C=C1C(=O)NCC2=CC=C(C=C2)OC)S(=O)(=O)N3CCCC3 1 1.774 3 4 0 -15.8570171380975 22518963 CN1C=C(C=C1C(=O)NCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)N3CCCC3 1 2.079 3 5 0 -19.2700522104836 22518959 CN1C=C(C=C1C(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)N3CCCC3 1 2.455 3 3 -16.8076903594369 22518956 CN1C=C(C=C1C(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)N3CCCC3 1 2.725 3 3 -9.2029855541571 22518948 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCN3C 1 2.768 2 3 -5.37857372687672 22518945 CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC3=C(C=C2)OCCN3C 1 2.751 2 4 -7.78476055913347 22518941 CCOC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCN3C 1 2.614 2 4 -10.2019007939469 22518934 CCC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCN3C 1 3.224 2 3 -4.68928009852197 22518932 CN1CCOC2=C1C=C(C=C2)S(=O)(=O)NCC3=CC(=CC=C3)OC 1 2.272 2 4 -6.64435070201329 22518927 CC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCN3C 1 3.096 2 3 -7.55647089471121 22518914 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCN3C 1 2.775 2 3 -6.08278544704202 22518913 CN1CCOC2=C1C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)OC 1 2.272 2 4 -6.49575165618615 22518902 CN1CCOC2=C1C=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)Cl 1 3.274 2 3 -5.7344722041244 22518890 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCN3C 1 2.021 2 4 -10.0004824992797 22518829 CC1(C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)N(C)C)N(C1=O)C)C 1 2.561 3 3 -2.7246470631348 22518825 CC1(C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)Cl)N(C1=O)C)C 1 3.063 2 3 1.75863800606468 22518816 CC1(C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)N(C1=O)C)C 1 2.856 3 3 -7.78986716383258 22518809 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C 1 1.833 2 5 0 -14.7420644088253 22518808 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C)C 1 2.577 2 3 -11.9493367815864 22518804 CC1(C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC(=CC=C3)OC)N(C1=O)C)C 1 2.382 2 4 -0.62492593949342 22518799 CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C)C 1 3.364 2 3 -0.635680170787686 22518795 CC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C 1 3.206 2 3 -1.53704613219134 22518794 CC1(C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C)N(C1=O)C)C 1 0.979 3 3 0 -9.96443813353579 22518792 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C 1 2.776 2 3 -6.57554359533302 22518783 CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C4(C)C)C 1 3.623 3 3 -9.18381191796181 22518782 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C4(C)C)C)C 1 3.623 3 3 -5.09006442012177 22518780 CC1(C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C1=O)C)C 1 3.315 3 3 -3.90757186841171 22518778 CC1(C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)N(C1=O)C)C 1 2.651 3 3 -8.43163230886745 22518776 CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C 1 2.258 2 3 -10.5921343864381 22518775 CC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C 1 2.316 2 3 -8.18974509155378 22518774 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C 1 2.885 2 3 -6.33606845221424e-002 22518771 CC1(C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)OC)N(C1=O)C)C 1 2.382 2 4 -0.476326893666282 22518768 CCC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C 1 3.334 2 3 -1.86899285997437 22518767 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C 1 2.947 2 3 -6.86063700964422 22518765 CC1(C2=C(C=CC(=C2)S(=O)(=O)NC3=CC(=CC(=C3)OC)OC)N(C1=O)C)C 1 2.359 2 5 0 -3.53343557754567 22518762 CC1(C2=C(C=CC(=C2)S(=O)(=O)NCCC3=CC=C(C=C3)Cl)N(C1=O)C)C 1 3.384 2 3 0.284952558395476 22518758 CC1(C2=C(C=CC(=C2)S(=O)(=O)N(C)CC3=CC=CC=C3)N(C1=O)C)C 1 2.605 2 3 -3.35630631202773 22518751 CC1(C2=C(C=CC(=C2)S(=O)(=O)NCC(=O)NCC3=CC=CC=C3)N(C1=O)C)C 1 1.459 3 4 0 -12.745671528563 22518746 CC1=CC=C(C=C1)CNC(=O)CNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C 1 1.945 3 4 0 -11.9308566237834 22518619 CC(C)OCCCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F 1 2.493 5 3 0 -17.7366987836626 22518610 C1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CS4 1 2.862 5 2 0 -14.7786511487563 22518608 C1=CC=C(C(=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CS4)F 1 3.068 5 2 0 -15.8768481573967 22518595 COC1=CC=CC=C1NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CS4 1 2.846 5 3 0 -18.1537117579383 22518470 CC(C)CCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F 1 3.415 5 2 0 -17.1234896958787 22518271 COC1=CC=C(C=C1)C2=NOC(=O)N2CC3=C(C=C(C=C3)F)Cl 1 3.977 2 3 4.17181287293954 22518261 CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)C3=C(NC(=C3)C4=CC=C(C=C4)F)C 1 4.991 3 1 -4.10505480647185 22518260 CC1=C(C=C(N1)C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 4.333 3 1 4.43390944924006 22518258 CC1=C(C=C(N1)C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 4.111 3 2 3.97120994996983 22518234 CC1=C(C=C(N1)C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 4.792 3 1 8.64693340442748 22518230 CC1=C(C=C(N1)C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.127 3 1 4.12287296397174 22518227 CC1=C(C=C(N1)C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C4=CC(=CC=C4)OC 1 4.111 3 2 4.97412177272481 22518226 CC1=C(C=C(N1)C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 4.111 3 2 2.19021203549578 22518220 CC1=C(C=C(N1)C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl 1 4.792 3 1 6.20617484970079 22518215 CC(C)(C)C(=O)NC1=NN=C(S1)S(=O)(=O)N(C)C2=CC=C(C=C2)Cl 1 2.87 4 3 0 -15.44890981625 22518214 CC(C)C(=O)NC1=NN=C(S1)S(=O)(=O)N(C)C2=CC=C(C=C2)Cl 1 2.453 4 3 0 -11.8837662549075 22518207 CCC(=O)NC1=NN=C(S1)S(=O)(=O)N(CC)C2=CC=C(C=C2)Cl 1 2.339 4 3 0 -10.7339056623652 22518199 CC(C)CC(=O)NC1=NN=C(S1)S(=O)(=O)N(C)CC2=CC=CO2 1 1.223 4 4 0 -16.0225343309849 22518198 CCCCC(=O)NC1=NN=C(S1)S(=O)(=O)N(C)CC2=CC=CO2 1 1.427 4 4 0 -16.0499247279814 22518197 CCCC(=O)NC1=NN=C(S1)S(=O)(=O)N(C)CC2=CC=CO2 1 0.971 4 4 0 -17.4715112824668 22518196 CCC(=O)NC1=NN=C(S1)S(=O)(=O)N(C)CC2=CC=CO2 1 0.515 4 4 0 -12.0492171478192 22518195 CCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N(C)CC3=CC=CO3 1 1.845 4 5 0 -13.6855136340444 22518190 CC1=CC=CC=C1C(=O)NC2=NN=C(S2)S(=O)(=O)N(C)CC3=CC=CO3 1 1.998 4 4 0 -15.2387159813542 22518187 CN(CC1=CC=CO1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)F 1 1.718 4 4 0 -11.794447247727 22518172 CN(CC1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)OC 1 2.314 4 4 0 -11.6109083995648 22518171 CN(CC1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3OC 1 2.314 4 4 0 -12.4874353671911 22518170 CN(CC1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)OC 1 2.314 4 4 0 -10.9656822227791 22518169 CN(CC1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3F 1 2.536 4 3 0 -12.1589744026436 22518165 CN(CC1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)F 1 2.536 4 3 0 -9.84083898816967 22518161 CCN(C1=C(C=C(C=C1)C)C)S(=O)(=O)C2=NN=C(S2)NC(=O)C(C)(C)C 1 3.527 4 3 0 -18.9177120229178 22518159 CCN(C1=C(C=C(C=C1)C)C)S(=O)(=O)C2=NN=C(S2)NC(=O)C(C)C 1 3.11 4 3 0 -15.3525684615753 22518156 CCN(C1=C(C=C(C=C1)C)C)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 3.04 4 4 0 -12.7611054791043 22518151 CC1=CC(=CC(=C1)N(C)S(=O)(=O)C2=NN=C(S2)NC(=O)C(C)C)C 1 2.761 4 3 0 -13.9940651872705 22518150 CCC(=O)NC1=NN=C(S1)S(=O)(=O)N(C)C2=CC(=CC(=C2)C)C 1 2.298 4 3 0 -11.8513474776132 22518147 CCN(C1=CC(=CC(=C1)C)C)S(=O)(=O)C2=NN=C(S2)NC(=O)C(C)(C)C 1 3.527 4 3 0 -18.8591388898801 22518145 CCN(C1=CC(=CC(=C1)C)C)S(=O)(=O)C2=NN=C(S2)NC(=O)C(C)C 1 3.11 4 3 0 -15.2939953285375 22518143 CCC(=O)NC1=NN=C(S1)S(=O)(=O)N(CC)C2=CC(=CC(=C2)C)C 1 2.647 4 3 0 -12.9329783156732 22518136 CCN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)C 1 2.977 4 5 0 -14.0019569343952 22518135 CCN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=CC=C3 1 2.491 4 5 0 -14.3645063898827 22518134 CCC(CC)C(=O)NC1=NN=C(S1)S(=O)(=O)N(CC)C2=CC=C(C=C2)OC 1 3.033 4 4 0 -12.9257209509766 22518133 CCN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=NN=C(S2)NC(=O)C3CCCCC3 1 3.118 4 4 0 -9.42654404281946 22518131 CCN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=NN=C(S2)NC(=O)CC(C)C 1 2.366 4 4 0 -17.160487048469 22518130 CCCCC(=O)NC1=NN=C(S1)S(=O)(=O)N(CC)C2=CC=C(C=C2)OC 1 2.571 4 4 0 -16.9695781422584 22518129 CCN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=NN=C(S2)NC(=O)C(C)C 1 2.121 4 4 0 -15.3298875749605 22518128 CCCC(=O)NC1=NN=C(S1)S(=O)(=O)N(CC)C2=CC=C(C=C2)OC 1 2.115 4 4 0 -18.3911646967437 22518127 CCC(=O)NC1=NN=C(S1)S(=O)(=O)N(CC)C2=CC=C(C=C2)OC 1 1.658 4 4 0 -12.9688705620962 22518117 CCN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C 1 3.142 4 4 0 -13.6442769906764 22518116 CCN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.051 4 5 0 -12.7384245924896 22518112 CC(C)CC(=O)NC1=NN=C(S1)S(=O)(=O)N(CC(C)C)C2=CC=C(C=C2)OC 1 3.209 4 4 0 -16.8294965209598 22518081 CCN(C1=CC=C(C=C1)C)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.554 4 4 0 -12.3254583833454 22518038 CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.554 4 4 0 -12.2134774027477 22518054 CC1=CC(=CC=C1)N(C)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.205 4 4 0 -10.3107504476926 22518014 CC(C(=O)NC1=NN=C(S1)S(=O)(=O)N(C)C2=CC=CC=C2)OC3=CC=CC=C3 1 2.643 4 4 0 -14.0275745135747 22518012 CN(C1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=CC=C3F 1 2.364 4 4 0 -13.1577507679269 22518005 CCC(=O)NC1=NN=C(S1)S(=O)(=O)N(C)C2=CC=CC=C2 1 1.326 4 3 0 -12.0652473241849 22518001 CN(C1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)OC 1 2.307 4 4 0 -13.5805468354878 22517986 CCN(C1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)CC(C)C 1 2.383 4 3 0 -17.2497209276726 22517985 CCCCC(=O)NC1=NN=C(S1)S(=O)(=O)N(CC)C2=CC=CC=C2 1 2.587 4 3 0 -17.058812021462 22517984 CCN(C1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C(C)C 1 2.137 4 3 0 -15.4191214541642 22517983 CCCC(=O)NC1=NN=C(S1)S(=O)(=O)N(CC)C2=CC=CC=C2 1 2.131 4 3 0 -18.4803985759474 22517967 CC(C)CN(C1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C(C)C 1 2.98 4 3 0 -15.2819429519346 22517966 CCCC(=O)NC1=NN=C(S1)S(=O)(=O)N(CC(C)C)C2=CC=CC=C2 1 2.974 4 3 0 -18.9440848952418 22517965 CCC(=O)NC1=NN=C(S1)S(=O)(=O)N(CC(C)C)C2=CC=CC=C2 1 2.518 4 3 0 -13.5217907605943 22517650 CC1=C(C=C(C=C1)OCC(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCCC3)C 1 2.928 4 4 0 -17.1092873564852 22517642 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCCC3 1 2.071 4 6 0 -20.6791808483621 22517639 CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCCC3 1 2.606 4 3 0 -16.5331211245422 22517621 CCC(CC)C(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCC3=CC=CC=C32 1 3.232 4 3 0 -17.7894046967855 22517620 CCCCC(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCC3=CC=CC=C32 1 2.769 4 3 0 -21.8332618880673 22517619 CC(C)C(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCC3=CC=CC=C32 1 2.319 4 3 0 -19.9752720175623 22517618 CCC(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCC3=CC=CC=C32 1 1.857 4 3 0 -17.8325543079051 22517599 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=NN=C(S3)NC(=O)C4=CC=CO4 1 1.977 5 4 0 -13.0071678652455 22517598 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=NN=C(S3)NC(=O)C4=CC=CC=C4 1 2.582 5 3 0 -14.7086678309417 22517595 CC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=NN=C(S3)NC(=O)C4=CC=CO4 1 2.258 5 4 0 -13.7190448907108 22517590 CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=NN=C(S3)NC(=O)CC(C)C 1 2.573 5 3 0 -17.141101030256 22517588 CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=NN=C(S3)NC(=O)C4=CC=CO4 1 2.258 5 4 0 -12.8164328008014 22517586 CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=NN=C(S3)NC(=O)C4=CC=C(C=C4)F 1 3.068 5 3 0 -12.9130139469981 22517585 CCC(CC)C(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCC2 1 1.585 4 3 0 -15.9316806651576 22517583 CCCC(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCC2 1 0.667 4 3 0 -21.3971244109247 22517582 CCC(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCC2 1 0.21 4 3 0 -15.9748302762772 22517562 CCN(CC)S(=O)(=O)C1=NN=C(S1)NC(=O)C2=CC=CO2 1 0.84 4 4 0 -13.6290601276027 22517554 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCOCC3 1 1.432 4 7 0 -25.245992069317 22517550 CC(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCOCC3 1 1.629 4 4 0 -18.3856950235983 22517549 COC1=CC=CC=C1C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCOCC3 1 0.418 4 5 0 -20.4354610767937 22517548 C1COCCN1S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3Br 1 1.183 4 4 0 -17.9959430000558 22517546 C1COCCN1S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Cl 1 1.099 4 4 0 -16.8471560296631 22517543 CC1CCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=CC=C3F 1 1.957 4 4 0 -19.8994435735219 22517542 CC1CCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)C 1 2.237 4 4 0 -19.6448636246846 22517541 CC1CCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=CC(=C3)C 1 2.237 4 4 0 -18.5530208355458 22517540 CC1CCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=CC=C3 1 1.751 4 4 0 -20.1330976366534 22517530 CC1CCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3OC 1 1.899 4 4 0 -21.198766608709 22517528 CC1CCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3Br 1 2.664 4 3 0 -18.7592485319711 22517526 CC1CCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C 1 2.402 4 3 0 -19.4324602521653 22517522 CC(C(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCCC2)OC3=CC=CC=C3 1 1.983 4 4 0 -17.9231606007688 22517521 CCC(C(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCCC2)OC3=CC=CC=C3 1 2.507 4 4 0 -18.0820521702501 22517520 CC1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCC3 1 1.986 4 4 0 -16.9233753713195 22517519 CC1=CC(=CC=C1)OCC(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCC3 1 1.986 4 4 0 -15.8315325821807 22517518 C1CCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=CC=C3 1 1.499 4 4 0 -17.4116093832883 22517511 CCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCC3 1 1.996 4 4 0 -17.8901613596524 22517506 CC(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCC3 1 2.858 4 3 0 -16.4275123021486 22517505 COC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCC3 1 1.648 4 4 0 -17.6717701582053 22517504 CC1=CC=CC=C1C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCC3 1 2.15 4 3 0 -19.3459694804374 22517503 C1CCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Br 1 2.412 4 3 0 -16.2691016842774 22517487 CCC(CC)C(=O)NC1=NN=C(S1)S(=O)(=O)NC2=CC=C(C=C2)OC 1 2.479 4 4 0 -8.27308470442357 22517486 CC1=CC(=CC=C1)NS(=O)(=O)C2=NN=C(S2)NC(=O)CC(C)C 1 2.314 4 3 0 -10.0091533862034 22517485 CC1=CC(=CC=C1)NS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)C)C 1 3.576 4 3 0 -6.74436572533266 22517483 CC1=CC(=CC=C1)NS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)OC 1 2.587 4 4 0 -8.01734652621693 22517482 CC1=CC(=CC=C1)NS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3F 1 2.809 4 3 0 -8.02818294693185 22517479 CC1=CC(=CC=C1)NS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Cl 1 3.268 4 3 0 -4.67094463782395 22517478 CCC(CC)C(=O)NC1=NN=C(S1)S(=O)(=O)NC2=CC=CC=C2C 1 2.981 4 3 0 -9.49931138346253 22517477 CC1=CC=CC=C1NS(=O)(=O)C2=NN=C(S2)NC(=O)CC(C)C 1 2.314 4 3 0 -13.5157781777477 22517476 CC1=CC=CC=C1NS(=O)(=O)C2=NN=C(S2)NC(=O)C(C)C 1 2.069 4 3 0 -11.6851787042393 22517474 CCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)NC3=CC=CC=C3C 1 2.936 4 4 0 -11.1787574808073 22517473 CC1=CC=CC=C1NS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br 1 3.352 4 3 0 -9.63422917446975 22517472 CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)NC3=CC=CC=C3C)C 1 3.576 4 3 0 -10.2583909782246 22517470 CC1=CC=CC=C1NS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3F 1 2.809 4 3 0 -11.6058265089638 22517469 CC(C(=O)NC1=NN=C(S1)S(=O)(=O)NC2=CC=CC=C2)OC3=CC=CC=C3 1 2.437 4 4 0 -10.0222494341622 22517468 CC(C)CC(=O)NC1=NN=C(S1)S(=O)(=O)NC2=CC=CC=C2 1 1.828 4 3 0 -12.033239427938 22517463 CC1=CC(=C(C=C1)OC)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCC4=CC=CC=C4C3 1 3.469 3 3 -16.8435437110975 22517462 C1CN(CC2=CC=CC=C21)C(CNS(=O)(=O)C3=CC=CC=C3)C4=CN=CC=C4 1 2.999 3 2 -16.4386762466434 22517460 CC1=C(C=CC(=C1)F)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCC4=CC=CC=C43 1 3.779 3 2 -11.8170712937499 22517459 CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCC4=CC=CC=C43 1 3.574 3 2 -13.7621528577294 22517354 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)C 1 4.34 4 2 -10.9114447284188 22517178 CC1CCCCN1CCCNC(=O)C2=NN(C3=C2CSC4=CC=CC=C43)C 1 3.717 4 1 -12.0431727757788 22517177 CN1C2=C(CSC3=CC=CC=C32)C(=N1)C(=O)NCCCN4CCCCC4 1 3.339 4 1 -8.9377120701503 22517160 CC1CCCC(N1CCCNC(=O)C2=NN(C3=C2CSC4=CC=CC=C43)C)C 1 4.094 4 1 -14.0930224823655 22517159 CCN(C1=CC=CC=C1OCC)C(=O)C2=NN(C3=C2CSC4=CC=CC=C43)C 1 4.685 3 2 -10.9124358001218 22517157 CC1CCCN(C1)CCCNC(=O)C2=NN(C3=C2CSC4=CC=CC=C43)C 1 3.659 4 1 -9.70991963862325 22517156 CN1C2=C(CSC3=CC=CC=C32)C(=N1)C(=O)N(C)C4=CC=C(C=C4)F 1 4.209 3 1 -3.18871144030806 22517150 CC1CCC(CC1)NC(=O)C2=NN(C3=C2CSC4=CC=CC=C43)C 1 4.331 3 1 -9.85108120592449 22517149 CC(C)N(C1CCCCC1)C(=O)C2=NN(C3=C2CSC4=CC=CC=C43)C 1 5.012 3 1 -5.66688032157411 22517064 CC1CC(CN(C1)C(=O)C2=NN(C3=C2CSC4=CC=CC=C43)C)C 1 3.983 3 1 -10.0693490265661 22517061 CCCN1CCN(CC1)C(=O)C2=NN(C3=C2CSC4=CC=CC=C43)C 1 3.257 4 1 -4.91546969715353 22517045 CC1CCCN(C1)C(=O)C2=NN(C3=C2CSC4=CC=CC=C43)C 1 3.664 3 1 -7.86700287015957 22517029 CN1C2=C(CSC3=CC=CC=C32)C(=N1)C(=O)NC4CCCCC4 1 4.079 3 1 -7.607372059812 22516735 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=NOC4=C3CSC5=CC=CC=C54 1 4.525 3 2 -1.52712041252186 22516733 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NOC4=C3CSC5=CC=CC=C54 1 3.601 3 3 -7.06380163390535 22516731 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=NOC4=C3CSC5=CC=CC=C54 1 5.011 3 2 -1.3405252031409 22516568 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)Cl)NC1=O 1 1.707 3 4 0 -10.2099430921129 22516567 CCC(C1=CC=CS1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(C(=O)N3)C 1 1.79 3 4 0 -18.8733388400145 22516555 CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C(C(=O)N4)C 1 2.158 4 4 0 -27.5792071326453 22516549 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)NC1=O 1 1.5 4 4 0 -19.5656988653887 22516548 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)NC1=O 1 1.278 4 5 0 -20.5518764210469 22516536 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(C(=O)N3)C)C 1 1.221 3 4 0 -23.285517154976 22516530 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)SC)NC1=O 1 1.577 3 4 0 -9.38530176748916 22516528 CCCN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(C(=O)N3)C 1 0.495 4 4 0 -22.3728364516962 22516525 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3C)C)C)NC1=O 1 2.494 3 4 0 -12.14886939386 22516524 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)C)NC1=O 1 1.85 3 4 0 -13.5056272303689 22516522 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)C)C)NC1=O 1 2.008 3 4 0 -11.735696431364 22516521 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)C)Cl)NC1=O 1 2.186 3 4 0 -10.0263343144285 22516520 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)C)Br)NC1=O 1 2.27 3 4 0 -12.3932960333402 22516512 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)NC1=O 1 1.323 3 4 0 -23.3665477298308 22516511 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C)NC1=O 1 2.445 4 4 0 -18.2701542161566 22516507 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)NC1=O 1 1.959 4 4 0 -15.8761529665893 22516502 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC)NC1=O 1 1.278 4 5 0 -22.3328743355209 22516487 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)Cl)NC1=O 1 2.028 3 4 0 -11.6836285397821 22516486 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)C)NC1=O 1 2.186 3 4 0 -10.6100356445136 22516482 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)OC)NC1=O 1 1.019 3 5 0 -11.5440424311804 22516479 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N(CC=C)C3=CC=CC=C3)NC1=O 1 1.858 3 4 0 -22.8003423602945 22516447 CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=C(C(=O)C3=O)N4CCCC4 1 1.966 3 3 0 3.33465270602963 22516444 CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C(=O)C3=O)N4CCCC4)C 1 2.452 3 3 1.19909233806039 22515912 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=CN=C3N)Br 1 1.95 4 3 0 -9.90797994898515 22515906 COC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CC(=CN=C2N)Br 1 2.356 3 3 -2.9824349519724 22515902 CC1CCCC(C1C)NS(=O)(=O)C2=CC(=CN=C2N)Br 1 2.56 3 2 -10.0912241982663 22515899 C1=C(C=C(C=C1C(F)(F)F)NS(=O)(=O)C2=CC(=CN=C2N)Br)C(F)(F)F 1 3.592 3 2 -2.10761777476658 22515889 CCC1=CC=CC(=C1NS(=O)(=O)C2=CC(=CN=C2N)Br)C 1 3.136 3 2 -5.05967735376312 22515886 CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC(=CN=C2N)Br 1 2.249 3 2 -0.648867116906686 22515884 CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=CN=C2N)Br)C 1 2.68 3 2 -3.94326053540085 22515881 CC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 2.522 3 2 -5.3150589892016 22515879 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=CN=C2N)Br)C 1 2.68 3 2 -2.99926178078154 22515878 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=CN=C2N)Br)Cl 1 2.858 3 2 -1.28989966384606 22515858 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=CN=C3N)Br 1 1.95 4 3 0 -11.6889778634592 22515856 C1CCCN(CC1)S(=O)(=O)C2=CC(=CN=C2N)Br 1 1.71 3 2 0 -11.6565223667617 22515855 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC(=CN=C2N)Br)F 1 1.913 3 2 0 -4.17322955202421 22515840 C1CCC(CC1)NS(=O)(=O)C2=CC(=CN=C2N)Br 1 1.989 3 2 0 -9.01376236324387 22515836 COC1=CC(=C(C=C1NS(=O)(=O)C2=CC(=CN=C2N)Br)Cl)OC 1 2.339 3 4 0 -6.58322086824171 22515818 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)NCC2CCN(CC2)CC3=CC=CC(=C3)C 1 3.294 3 4 0 -3.52790329507315 22515810 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCOCC2 1 0.429 2 5 0 -16.103942383836 22515784 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N2CC(CC(C2)C)C 1 2.298 2 4 -15.8386926203449 22515783 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)NC2CCC(CC2)C 1 2.646 2 4 -12.292502622082 22515772 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.283 3 4 0 -12.4212607637097 22515766 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)NCCC2=CC=CC=C2 1 2.441 2 4 -6.97257159261193 22515753 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCN(CC2)C3CCCCC3 1 2.557 3 4 0 -13.029733012435 22515751 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 1.887 2 6 0 -6.51916308160989 22515748 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCC(CC2)C 1 1.911 2 4 0 -16.8672479157514 22515745 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.355 3 5 0 -14.1071722104487 22515742 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCC3=CC=CC=C32 1 2.393 2 4 -14.7356562854202 22515738 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.408 2 6 0 -10.6376325809321 22515736 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)NC2=C(C=C(C=C2)OC)OC 1 2.08 2 6 0 -9.11569435040036 22515735 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)NC2=C(C=C(C=C2)F)F 1 2.523 2 4 -4.13671277912032 22515733 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)NC2CCCCC2 1 2.394 2 4 -10.0487934759695 22515725 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)NC2=CC(=CC=C2)OC 1 2.096 2 5 0 -4.12512894000877 22515720 CC1=CC(=CC=C1)CCNS(=O)(=O)C2=CN(C(=C2)C(=O)OC)C 1 2.578 2 4 -4.43474243562116 22515710 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CN(C(=C2)C(=O)OC)C 1 2.325 2 4 -10.5257592734415 22515705 CN1C=C(C=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.006 3 5 0 -11.6246936085097 22515695 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CN(C(=C2)C(=O)OC)C 1 1.204 2 6 0 -17.0494002701519 22515694 CC1CCC(CC1)NS(=O)(=O)C2=CN(C(=C2)C(=O)OC)C 1 2.297 2 4 -11.6887518348914 22515691 CN1C=C(C=C1C(=O)OC)S(=O)(=O)NCC2=CC=C(C=C2)F 1 1.976 2 4 0 -3.3684434275073 22515690 CN1C=C(C=C1C(=O)OC)S(=O)(=O)NCC2=CC(=CC=C2)OC 1 1.754 2 5 0 -4.47311285903439 22515689 CN1C=C(C=C1C(=O)OC)S(=O)(=O)NCC2=CC=CC=C2OC 1 1.754 2 5 0 -7.09792477926156 22515682 CN1C=C(C=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3 1 1.934 3 4 0 -11.8175099765191 22515681 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)OC)C 1 1.762 3 5 0 -15.0951827790716 22515659 CN1C=C(C=C1C(=O)OC)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 1.539 2 6 0 -5.9154122944193 22515655 CC1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)OC)C 1 1.562 2 4 0 -16.2634971285608 22515654 CC1CCCN(C1)S(=O)(=O)C2=CN(C(=C2)C(=O)OC)C 1 1.629 2 4 0 -13.877739438006 22515652 CN1C=C(C=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)OC 1 2.006 3 5 0 -10.6217817857547 22515651 CN1C=C(C=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.006 3 5 0 -13.4056915229837 22515648 CN1C=C(C=C1C(=O)OC)S(=O)(=O)N2CCCCCC2 1 1.766 2 4 0 -13.5420088751957 22515645 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)OC)C 1 1.069 2 6 0 -16.6782858307621 22515640 CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CN(C(=C2)C(=O)OC)C 1 2.736 2 4 -5.05182169801825 22515639 CC1=C(C(=CC=C1)NS(=O)(=O)C2=CN(C(=C2)C(=O)OC)C)C 1 2.736 2 4 -2.992500409762 22515637 CN1C=C(C=C1C(=O)OC)S(=O)(=O)NC2=CC(=CC(=C2)OC)OC 1 1.731 2 6 0 -7.45705641410472 22515634 CN1C=C(C=C1C(=O)OC)S(=O)(=O)NC2CCCCC2 1 2.045 2 4 -9.44504268877889 22515623 CN1C=C(C=C1C(=O)OC)S(=O)(=O)NC2=CC(=CC=C2)OC 1 1.747 2 5 0 -3.42364825254379 22515285 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NS(=O)(=O)N2C)C3=CC=CO3 1 0.98 3 5 0 -5.69621918677295 22515257 CN1C(=CC(=NS1(=O)=O)C2=C(C=CC(=C2)OC)OC)C(=O)N3CCC4(CC3)OCCO4 1 0.506 3 7 0 -8.92368115077114 22515256 CN1C(=CC(=NS1(=O)=O)C2=C(C=CC(=C2)OC)OC)C(=O)NCC3=CC=CS3 1 1.559 3 5 0 -10.188639958494 22515254 CN1C(=CC(=NS1(=O)=O)C2=C(C=CC(=C2)OC)OC)C(=O)NCC3=CC=CO3 1 1.001 3 6 0 -9.49387479085944 22515237 CN1C(=CC(=NS1(=O)=O)C2=CC(=C(C=C2)OC)OC)C(=O)NCC3=CC=C(C=C3)F 1 2.025 3 5 0 -8.22843187469408 22515226 CN1C(=CC(=NS1(=O)=O)C2=CC=C(C=C2)F)C(=O)N3CCC4(CC3)OCCO4 1 0.745 3 5 0 -5.46248345714796 22515214 CN1C(=CC(=NS1(=O)=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CS3 1 1.797 3 3 0 -6.72744226487085 22515179 CN1C(=CC(=NS1(=O)=O)C2=CC=C(C=C2)OC)C(=O)NC3CCCC3 1 1.654 3 4 0 -4.82245621759669 22515176 CCC1=CC=C(C=C1)NC(=O)C2=CC(=NS(=O)(=O)N2C)C3=CC=C(C=C3)OC 1 2.771 3 4 0 -2.30491616075465 22515171 CC1=CC=C(C=C1)C2=NS(=O)(=O)N(C(=C2)C(=O)NC3CCCCC3)C 1 2.613 3 3 -4.76395852262063 22515167 CC1=CC=C(C=C1)C2=NS(=O)(=O)N(C(=C2)C(=O)NC3=CC=CC=C3SC)C 1 2.873 3 3 -7.19498890264474 22515061 CC1CCC(CC1)NC(=O)CCCN2C(=O)C3=CC=CC=C3S2 1 3.32 2 2 -11.9537689543008 22514960 CCC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)N3C(=O)C4=CC=CC=C4S3 1 2.131 3 4 0 -9.32372647165672 22514868 CC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)N3C(=O)C4=CC=CC=C4S3 1 1.607 3 4 0 -9.53279486610808 22514539 CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CN4C=N3 1 1.886 5 2 0 -7.60072548223535 22514532 CCC1=NN(C(=O)C2=CC=CN21)CC(=O)NCCC3=CC=C(C=C3)Cl 1 2.97 4 2 -10.8280743736811 22514527 CCC1=NN(C(=O)C2=CC=CN21)CC(=O)N3CCN(CC3)CC 1 0.913 5 2 0 -9.26435768328081 22514526 CCC1=NN(C(=O)C2=CC=CN21)CC(=O)N3CC(CC(C3)C)C 1 2.163 4 2 -12.5686491839934 22514525 CCC1=NN(C(=O)C2=CC=CN21)CC(=O)N3CCC4(CC3)OCCO4 1 0.672 4 4 0 -12.9120577716911 22514522 CCC1=NN(C(=O)C2=CC=CN21)CC(=O)N3CCN(CC3)C 1 0.564 5 2 0 -7.87600108303709 22514518 CCC1=NN(C(=O)C2=CC=CN21)CC(=O)N3CCC(CC3)C 1 1.776 4 2 0 -13.3221470618103 22514515 CCC1=NN(C(=O)C2=CC=CN21)CC(=O)N3CCC(CC3)C(=O)OCC 1 1.283 4 4 0 -13.5896794094395 22514514 CC1=NN(C(=O)C2=CC=CN12)CC(=O)NCC3=C(C=CC(=C3)Br)OC 1 2.05 4 3 0 -13.6475910075071 22514513 CC1=NN(C(=O)C2=CC=CN12)CC(=O)NCC3=CC(=CC=C3)F 1 1.523 4 2 0 -11.2840705908296 22514504 CC1=NN(C(=O)C2=CC=CN12)CC(=O)NC3CCCCC3 1 1.593 4 2 0 -11.0952782476853 22514490 CC1CC(CN(C1)CCCNC(=O)CN2C(=O)C3=CC=CN3C(=N2)C)C 1 1.491 5 2 0 -17.8010948981976 22514486 CC1CCCCN1CCCNC(=O)CN2C(=O)C3=CC=CN3C(=N2)C 1 1.23 5 2 0 -16.054713080338 22514482 CC1=NN(C(=O)C2=CC=CN12)CC(=O)NCCCN3CCCCC3 1 0.853 5 2 0 -12.9492523747096 22514480 CC1=NN(C(=O)C2=CC=CN12)CC(=O)NC3=C(C=C(C=C3Br)F)F 1 2.47 4 2 -6.96864697900015 22514466 CC1=NN(C(=O)C2=CC=CN12)CC(=O)NCC(C)C3=CC=CC=C3 1 1.958 4 2 0 -13.5971636721117 22514454 CC1=NN(C(=O)C2=CC=CN12)CC(=O)NCCC3=CC=CC=C3 1 1.639 4 2 0 -13.0752344633583 22514444 CC1=C(C=CC=C1Cl)NC(=O)CN2C(=O)C3=CC=CN3C(=N2)C 1 2.462 4 2 -7.30514771553786 22514443 CC1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CN3C(=N2)C 1 1.797 4 2 0 -11.1257795066637 22514442 CC1=NN(C(=O)C2=CC=CN12)CC(=O)NC3=C(C=C(C=C3)Br)F 1 2.265 4 2 -6.63322231418148 22514440 CC1=NN(C(=O)C2=CC=CN12)CC(=O)NCCCC3=CC=CC=C3 1 2.095 4 2 -14.2912150047931 22514436 CCC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CN3C(=N2)C 1 2.253 4 2 -8.51483404559193 22514435 CCC1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CN3C(=N2)C 1 2.253 4 2 -10.4930918098615 22514434 CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3=CC=CN3C(=N2)C 1 1.515 4 4 0 -13.6112686673795 22514433 CC1=C(C(=CC=C1)C)NC(=O)CN2C(=O)C3=CC=CN3C(=N2)C 1 2.283 4 2 -10.7806138119521 22514426 CC1=NN(C(=O)C2=CC=CN12)CC(=O)NCCC3=CC=C(C=C3)Cl 1 2.303 4 2 -10.3410266414671 22514420 CC1=NN(C(=O)C2=CC=CN12)CC(=O)NCC3=CC=CC=C3 1 1.318 4 2 0 -13.6667879752241 22514415 CC1=NN(C(=O)C2=CC=CN12)CC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.253 4 2 -4.0069775467129 22514413 CC1=NN(C(=O)C2=CC=CN12)CC(=O)N3CCN(CC3)CC4=C(C(=C(C=C4)OC)OC)OC 1 1.432 5 5 0 -8.21632958915987 22514403 CC1CCN(CC1)C(=O)CN2C(=O)C3=CC=CN3C(=N2)C 1 1.109 4 2 0 -12.8350993295963 22514400 CCOC(=O)C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CN3C(=N2)C 1 0.616 4 4 0 -13.3209309804326 22514399 CC1=NN(C(=O)C2=CC=CN12)CC(=O)N(C)CC3=CC=CC=C3 1 1.524 4 2 0 -11.0462976555538 22514390 COC1=CC=CC(=C1OC)CNC(=O)CN2C(=O)C3=CC=CN3C=N2 1 1.206 4 4 0 -14.9708719363877 22514359 CC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CN3C=N2 1 1.725 4 2 0 -12.6926422438312 22514348 COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)CN3C(=O)C4=CC=CN4C=N3)OC)OC 1 1.353 5 5 0 -8.15439298907141 22514333 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CN4C=N3 1 2.641 5 2 0 -3.80548169721602 22514332 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CN4C=N3 1 2.463 5 2 0 -6.49497110057732 22514312 CCCN1CCN(CC1)CCCNC(=O)CCCN2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43 1 2.853 5 2 0 -14.4673800022127 22514310 CCN1CCN(CC1)CCCNC(=O)CCCN2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43 1 2.329 5 2 0 -14.7084955937358 22514305 CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)CCCC(=O)NCCCN4CCN(CC4)C 1 1.98 5 2 0 -12.4470923764783 22514191 CCC(C(=O)NCCCN1CCCCCC1)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43 1 3.835 4 2 -9.11342929706743 22514197 CCC(C(=O)NCCCN(CC)CC1=CC=CC=C1)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43 1 4.394 4 2 -8.59471783832876 22514198 CCC(C(=O)NCCCN1CC(CC(C1)C)C)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43 1 4.017 4 2 -13.9652718205555 22514201 CCCN1CCN(CC1)CCCNC(=O)C(CC)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43 1 3.291 5 2 0 -8.92104252922985 22514187 CCC(C(=O)NCCCN1CCN(CC1)C)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43 1 2.419 5 2 0 -7.1190542067026 22514156 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22510431 CCOC1=CC=CC=C1NC(=O)N2C3=CC=CC(=C3C=N2)C 1 3.854 3 2 -5.64326613260789 22510428 CC1=C2C=NN(C2=CC=C1)C(=O)NC3=CC(=C(C=C3)C)F 1 4.214 3 1 -0.165698389703904 22510426 CC1=C2C=NN(C2=CC=C1)C(=O)NC3=CC=C(C=C3)OC 1 3.506 3 2 -1.98653696493529 22510424 CC1=C2C=NN(C2=CC=C1)C(=O)NC3=CC(=C(C=C3)OC)OC 1 3.489 3 3 -6.90368950482407 22510420 CC1=NN(C2=CC=CC=C12)C(=O)CCC(=O)NCC3=CC=CC=C3Cl 1 3.417 3 2 -14.5887279908998 22510416 C1=CC=C2C(=C1)C=NN2C(=O)CCC(=O)NCC3=CC=C(C=C3)F 1 2.676 3 2 -11.7833707395475 22510414 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCCC(=O)NCC3=CC(=CC=C3)F 1 3.618 3 2 -11.0765481517205 22510411 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCCC(=O)NCCC3=C(C=CC(=C3)OC)OC 1 3.701 3 4 0 -15.0473149170437 22510410 CCOC1=CC=C(C=C1)CNC(=O)CCCC(=O)N2C3=C(C=C(C=C3)C)C=N2 1 3.745 3 3 -13.6838020879658 22510376 CC1=C2C=NN(C2=CC=C1)C(=O)NC3=CC(=CC=C3)OC 1 3.506 3 2 -2.05359870442704 22510356 CC1=NN(C2=CC=CC=C12)C(=O)CCC(=O)NCC3=CC(=CC=C3)F 1 2.959 3 2 -11.5861673103138 22510355 CCOC1=CC=C(C=C1)CNC(=O)CCC(=O)N2C3=CC=CC=C3C(=N2)C 1 3.085 3 3 -14.2358649242561 22510350 CC1=NN(C2=CC=CC=C12)C(=O)CCC(=O)NCC3=C(C=CC(=C3)Br)OC 1 3.485 3 3 -13.9496877269913 22510349 CC1=NN(C2=CC=CC=C12)C(=O)CCC(=O)NCC3=CC=C(C=C3)OC(C)C 1 3.463 3 3 -14.6708338525467 22510295 CCOC1=CC=C(C=C1)CNC(=O)CCCC(=O)N2C3=CC=CC=C3C(=N2)C 1 3.542 3 3 -16.4086149284995 22510294 CCC1=CC=C(C=C1)CNC(=O)CCCC(=O)N2C3=CC=CC=C3C(=N2)C 1 4.152 3 2 -15.8855636815332 22510293 CC1=NN(C2=CC=CC=C12)C(=O)CCCC(=O)NCC3=CC=C(C=C3)OC 1 3.193 3 3 -15.6423917767915 22510291 CC1=CC=CC=C1CNC(=O)CCCC(=O)N2C3=CC=CC=C3C(=N2)C 1 3.695 3 2 -16.7379118895825 22510288 CC1=NN(C2=CC=CC=C12)C(=O)CCCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.498 3 4 0 -19.0489529932948 22510287 CC1=NN(C2=CC=CC=C12)C(=O)CCCC(=O)NCC3=CC=CC=C3OC 1 3.193 3 3 -17.9250626048698 22510284 CCOC1=CC=CC=C1CNC(=O)CCCC(=O)N2C3=CC=CC=C3C(=N2)C 1 3.542 3 3 -18.4623192044526 22510283 CC1=NN(C2=CC=CC=C12)C(=O)CCCC(=O)NCC3=CC=CC=C3 1 3.209 3 2 -16.2126534694393 22510264 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCCC(=O)NCC3=CC=C(C=C3)F 1 3.618 3 2 -11.7927357016484 22510263 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCCC(=O)NC(C)C3=CC=CC=C3 1 3.79 3 2 -14.3671026596761 22510249 CC1=NN(C2=CC=CC=C12)C(=O)CCC(=O)NCCC3=CC=CC=C3 1 3.074 3 2 -13.4483499533301 22510225 CCCOC1=CC=C(C=C1)CNC(=O)CCC(=O)N2C3=C(C=C(C=C3)C)C=N2 1 3.813 3 3 -11.0560632997092 22510220 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCC(=O)NCC3=C(C(=CC=C3)OC)OC 1 2.924 3 4 0 -12.512698188902 22510214 COC1=C(C=C(C=C1)CCNC(=O)CCC(=O)N2C3=C(C=CC(=C3)Cl)C=N2)OC 1 3.423 3 4 0 -13.2424460443105 22510195 CCOC1=CC=C(C=C1)CNC(=O)CCC(=O)N2C3=C(C=CC(=C3)Cl)C=N2 1 3.467 3 3 -10.4622700752936 22510182 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCC(=O)NCC3=CC(=CC=C3)Cl 1 3.621 3 2 -8.34895602397558 22510178 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCC(=O)NCC3=CC=CC=C3Cl 1 3.621 3 2 -11.6955021533537 22510177 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCC(=O)NCC3=CC=CC=C3OC 1 2.94 3 3 -12.8590867630803 22510176 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCC(=O)NCC3=CC(=CC=C3)Br 1 3.705 3 2 -10.220709938892 22510174 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.245 3 4 0 -14.2912280527393 22510154 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCC(=O)NC3CCCCC3 1 3.231 3 2 -8.4656207356897 22510151 CCC1=CC=C(C=C1)CNC(=O)CCC(=O)N2C3=C(C=C(C=C3)C)C=N2 1 3.899 3 2 -10.9880008367562 22510148 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCC(=O)NCC3=CC=C(C=C3)OC 1 2.94 3 3 -10.7448289320144 22510145 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCC(=O)NC3CCCC3 1 2.775 3 2 -8.11115222152162 22510130 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCCC(=O)NCC3=CC=C(C=C3)Cl 1 4.077 3 2 -10.6826140365269 22510125 CC1=CC=C(C=C1)CNC(=O)CCC(=O)N2C3=C(C=C(C=C3)C)C=N2 1 3.443 3 2 -10.9782774150801 22510102 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCCC(=O)NCC3=CC=CC=C3OC 1 3.396 3 3 -15.0318367673237 22510093 CC1=CC2=C(C=C1)N(N=C2)C(=O)CCC(=O)N3CCCCC3 1 2.496 3 2 -7.35534231327412 22509950 CCCNC(=O)C1=C(C2=C(O1)C=CC3=C2C=CC(O3)(C)C)C 1 3.779 1 3 -2.3015656381614 22469198 CC(C)(C)OC(=O)N1CCC(CC1)(CC=C)C(=O)O 1 2.194 1 4 -8.13698753296883 22462649 C1=CC=C(C=C1)C(=O)C[N+]2=CC=NC=C2.[Br-] Br- 1 1.539 2 1 0 -2.47494822637871 22434833 CCC1=NC2=C(C=CC(=C2)C(=O)N3CCCCC3)SC4=C1C=C(C=C4)C 1 5.179 2 1 -7.12976739127645 22434832 CCC1=NC2=C(C=CC(=C2)C(=O)N3CCC4(CC3)OCCO4)SC5=C1C=C(C=C5)C 1 4.327 2 3 -9.4087877050617 22434793 CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2C 1 4.056 2 1 -4.2889878180606 22434790 CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)NCCCN4CCN(CC4)C)N=C2C 1 3.548 4 1 -5.13161387962843 22434781 CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)NCC4CCCO4)N=C2C 1 3.748 2 2 -11.6027057602795 22434713 CCCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCCC3)SC4=CC=CC=C41 1 4.626 3 1 -9.30703803323023 22434709 CCCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)SC4=CC=CC=C41 1 3.853 3 2 -12.0601127583104 22434705 CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)SC4=CC=CC=C41 1 3.915 3 2 -12.2529001968259 22434674 CCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCCC3)SC4=CC=CC=C41 1 4.17 3 1 -9.64891248917398 22434672 CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCN(CC3)C)SC4=CC=CC=C41 1 3.728 4 1 -8.20179335149272 22434668 CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)SC4=CC=CC=C41 1 3.459 3 2 -12.5947746527696 22433840 CC1=CC2=C(C=C1NS(=O)(=O)C3=CC=C(C=C3)OC)NC(=O)O2 1 2.297 2 5 0 -5.88492147982008 22433706 CCNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)COC3=CC=C(C=C3)Cl 1 2.472 2 4 -6.7025717159886 22433705 CNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)COC3=CC=C(C=C3)Cl 1 2.123 2 4 -6.84495095948424 22433699 C1=CC(=CC(=C1)F)NC(=O)NC2=CNC(=O)NC2=O 1 -0.409 4 3 0 -10.2282335159128 22433670 C1=CC(=CC(=C1)Cl)NC(=O)NC2=CNC(=O)NC2=O 1 4.9e-002 4 3 0 -9.27036992483782 22433668 CC1=C(C(=CC=C1)NC(=O)NC2=C(NC(=O)NC2=O)C)C 1 0.871 4 3 0 -14.3552980432111 22433629 COC1=CC=C(C=C1)NC(=O)NC2=CNC(=O)NC2=O 1 -0.631 4 4 0 -12.4322053906874 22433628 CC1=C(C=C(C=C1)NC(=O)NC2=C(NC(=O)NC2=O)C)Cl 1 1.049 4 3 0 -13.8024626362794 22433173 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=CC=CC=C3OC2=O)NC 1 1.114 3 5 0 -11.3761642118289 22433164 COC1=CC=C(C=C1)NC2=CC(=NC=N2)NC3=CC(=C(C(=C3)OC)OC)OC 1 3.526 4 4 0 -1.0408258194263 22433140 CNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OCO4 1 1.392 2 5 0 -10.6391065367226 22433139 CCNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OCO4 1 1.74 2 5 0 -10.496727293227 22433035 COC1=CC=C(C=C1)NC2=CC(=NC=N2)SC3=CC=C(C=C3)OC 1 4.765 3 2 4.29467660784457 22433007 COC1=CC=C(C=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)OC 1 3.559 4 2 3.73535542526157 22432995 CN1C2=C(C(=O)OC3=C2C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)OC)NC(=O)C1=O 1 0.206 3 7 0 -10.5565951208106 22432994 CCN1C2=C(C(=O)OC3=C2C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)NC(=O)C1=O 1 0.571 3 6 0 -10.3948273436483 22432844 COC1=CC=C(C=C1)NC2=NC=NC(=C2)NC3=CC=CC=C3 1 3.576 4 1 3.11455033350025 22432777 CC(=O)N1C(=O)C2=CC=CC=C2C(=O)N1C3=CC=CC=C3 1 1.814 2 3 0 -5.28671486207829 22432728 CC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(N=C4N(C3=O)C(=CS4)C)C)C 1 2.332 4 3 0 -14.5677909411953 22432723 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NC(C)C3=CC=CC=C3)C 1 1.485 3 3 0 -15.9445780888866 22432715 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(N=C3N(C2=O)C(=CS3)C)C 1 1.587 3 3 0 -8.80105142741652 22432714 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NC3=CC=C(C=C3)F)C 1 1.306 3 3 0 -9.76830971097874 22432694 CCN1C2=C(C(=O)OC3=C2C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)OC)NC(=O)C1=O 1 0.555 3 7 0 -10.6511394144191 22432661 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=C3N=CNN3C2=O)C 1 -0.938 6 4 0 -12.8722329602561 22432660 CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=C3N=CNN3C2=O)C 1 0.217 5 3 0 -8.44009461082631 22432654 CCOC1=CC=CC=C1C2=NN=C(O2)CS(=O)(=O)C3=CC=CC=C3 1 2.764 2 4 -12.9995010932671 22432648 COC1=CC(=C(C=C1)Br)C2=NN=C(O2)CS(=O)(=O)C3=CC=CC=C3 1 3.163 2 4 -10.6719028092077 22432641 CC1=CC=CC=C1C2=NN=C(O2)CS(=O)(=O)C3=CC=CC=C3 1 2.918 2 3 -9.4995447933736 22432590 CC1=C(C(=O)N2C(=N1)N=C(N2)C)NS(=O)(=O)C3=CC4=C(CCCC4)C=C3 1 0.867 5 3 0 -11.6520794219142 22432532 CC1=C(C(=O)N2C(=N1)N=C(N2)C)NS(=O)(=O)C3=CC=C(C=C3)C4CCCCC4 1 1.545 5 3 0 -5.22391811847337 22432524 CCC1=NN=C2N1C3=CC=CC=C3N=C2NCCC4=CC=CC=C4 1 3.643 5 0 -5.54273875178656 22432508 CCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)CC(C)C)C 1 2.317 5 3 0 -4.43904484807604 22432506 CCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(S3)Br)C 1 1.021 5 3 0 -7.21542996696285 22432505 CCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC4=C(CCCC4)C=C3)C 1 2.18 5 3 0 -12.1265174960057 22432504 CCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(S3)Cl)C 1 0.912 5 3 0 -3.71749601403472 22432464 CC1=C(C(=O)N2C(=N1)N=C(N2)C)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 1.8e-002 5 3 0 -6.02137286762149 22432465 CC1=C(C(=O)N2C(=N1)N=C(N2)C)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C 1 0.754 5 3 0 -5.265237409097 22432466 CC1=C(C(=O)N2C(=N1)N=C(N2)C)NS(=O)(=O)C3=CC=CS3 1 -0.86 5 3 0 -8.96048106686006 22432467 CC1=C(C(=O)N2C(=N1)N=C(N2)C)NS(=O)(=O)C3=CC=C(S3)Cl 1 -0.401 5 3 0 -3.24305793994326 22432503 CCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=CS3)C 1 0.453 5 3 0 -9.43491914095152 22432502 CCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC(=C(C=C3)C)C)C 1 1.639 5 3 0 -8.36620178786734 22432499 CCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)Cl)C 1 1.331 5 3 0 -6.49581094171294 22432498 CCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)F)C 1 0.872 5 3 0 -7.60593260683451 22432495 CCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)C4CCCCC4)C 1 2.858 5 3 0 -5.69835619256483 22432452 C1CN(CCN1CC2=NN=C(O2)C3=CC=CC=C3F)C(=O)C4=CC=CO4 1 1.877 4 3 0 -6.11218510096966 22432425 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=C3N=C(NN3C2=O)C)C 1 -0.16 5 3 0 -8.03166815254211 22432422 CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C 1 2.524 5 3 0 -5.3978010272447 22432419 CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC4=C(CCCC4)C=C3)C 1 2.636 5 3 0 -11.7846430400619 22432418 CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)Cl)C 1 1.787 5 3 0 -6.15393648576919 22432396 CCOC(=O)C1CCN(CC1)CC2=NN=C(O2)C3=CC(=CC=C3)Br 1 2.82 3 3 -2.45459676596085 22432395 CC1CCN(CC1)CC2=NN=C(O2)C3=CC(=CC=C3)Br 1 3.313 3 1 -0.650088810604506 22432387 C1CN(CCN1CC2=NN=C(O2)C3=CC(=CC=C3)Br)C(=O)C4=CC=CO4 1 2.42 4 3 0 -1.8570206281791 22432385 CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)C4CCCCC4)C 1 3.314 5 3 0 -5.35648173662108 22432373 CC1=CC=CC=C1C2=NN=C(O2)CN3CCN(CC3)C(=O)C4=CC=CO4 1 2.158 4 3 0 -4.94463959181403 22432353 CC1=C(C=C(C=C1)NC(=O)C)S(=O)(=O)NC2=C(C3=CC=CC=C3OC2=O)NC 1 0.933 3 5 0 -12.0747634586449 22432330 C1CN(CCN1CC2=NN=C(O2)C3=CC(=CC=C3)Cl)C(=O)C4=CC=CO4 1 2.336 4 3 0 -6.30986526365847e-002 22432219 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(N=C3N(C2=O)C=CS3)C 1 1.073 3 3 0 -12.2189761921784 22432208 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)NCC(C)C3=CC=CC=C3 1 1.234 3 3 0 -17.1430395340746 22432158 CCOC1=C(C=C(C=C1)CNC(=O)C2=NN=C(O2)CS(=O)(=O)C3=CC=CC=C3)OC 1 2.021 3 6 0 -20.6968649802263 22432152 CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)OC)OC)C 1 3.12 6 4 0 -20.8792100972222 22432150 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3N5C(=CC(=N5)C)C)C 1 4.611 6 2 0 -11.9383809282489 22432142 CNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)F 1 1.532 2 4 0 -5.99271070115473 22432141 CNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)Br 1 2.075 2 4 -6.3392487811346 22432139 CNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)OC 1 1.31 2 5 0 -7.11755393576412 22432053 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C 1 2.085 3 3 -9.72427785350437 22431989 C1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(O2)C(=O)NCC3=CC=CC=C3Cl 1 2.369 3 4 0 -16.0104276705769 22431959 C1=CC=C(C=C1)CNC(=O)C2=NN=C(O2)CS(=O)(=O)C3=CC=CC=C3 1 1.705 3 4 0 -15.5862216099089 22431958 CC1=CC=C(C=C1)CCNC(=O)C2=NN=C(O2)CS(=O)(=O)C3=CC=CC=C3 1 2.512 3 4 0 -13.7534576828765 22431957 COC1=C(C=C(C=C1)CCNC(=O)C2=NN=C(O2)CS(=O)(=O)C3=CC=CC=C3)OC 1 1.993 3 6 0 -18.1645386203897 22431954 CC1=CC=C(C=C1)CNC(=O)C2=NN=C(O2)CS(=O)(=O)C3=CC=CC=C3 1 2.191 3 4 0 -14.4783752430811 22431953 CCOC1=C(C=C(C=C1)CCNC(=O)C2=NN=C(O2)CS(=O)(=O)C3=CC=CC=C3)OCC 1 2.691 3 6 0 -19.4258479518611 22431421 COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=C(C=C3)Cl)N4C2=NN=C4 1 3.307 5 3 0 1.63084095787429 22431419 CC1=C(C=C(C=C1)NC2=NC3=C(C=C(C=C3)Cl)N4C2=NN=C4)F 1 4.048 5 0 8.4654392456151 22431392 CC1=CC2=C(C=C1)N=C(C3=NN=CN23)NC4=CC=C(C=C4)Cl 1 3.843 5 0 6.18196239219295 22431387 CC1=CC(=CC=C1)CCNC2=NC3=C(C=C(C=C3)C)N4C2=NN=C4 1 3.992 5 0 2.67967172274566 22431386 CCOC1=CC=CC=C1NC2=NC3=C(C=C(C=C3)C)N4C2=NN=C4 1 3.51 5 1 1.50902280928067 22431385 CC1=CC2=C(C=C1)N=C(C3=NN=CN23)NC4=CC=CC=C4OC 1 3.162 5 1 2.30227355816066 22431384 CC1=CC2=C(C=C1)N=C(C3=NN=CN23)NC4=CC(=CC(=C4)C)C 1 4.15 5 0 3.68931968492071 22431383 CC1=CC(=C(C=C1)C)NC2=NC3=C(C=C(C=C3)C)N4C2=NN=C4 1 4.15 5 0 2.49254222352113 22431381 CC1=CC2=C(C=C1)N=C(C3=NN=CN23)NC4=CC=C(C=C4)F 1 3.384 5 0 5.07184072707138 22431379 CC1=CC2=C(C=C1)N=C(C3=NN=CN23)NC4=CC=C(C=C4)C(=O)OC 1 3.034 5 2 0 -4.38893682859252e-002 22431378 CC1=CC2=C(C=C1)N=C(C3=NN=CN23)NC4=C(C=CC(=C4)Cl)OC 1 3.826 5 1 4.72055515378726 22431377 CC1=CC2=C(C=C1)N=C(C3=NN=CN23)NC4=CC(=C(C=C4)OC)Cl 1 3.826 5 1 3.7780521915008 22431376 CC1=CC2=C(C=C1)N=C(C3=NN=CN23)NC4=CC(=C(C=C4)C)C 1 4.15 5 0 4.17665563994316 22431375 CC1=CC2=C(C=C1)N=C(C3=NN=CN23)NC4=CC=C(C=C4)C(=O)C 1 2.918 5 1 -0.673395133710529 22431374 CC1=CC2=C(C=C1)N=C(C3=NN=CN23)NC4=C(C=CC(=C4)OC)OC 1 3.145 5 2 0 2.44043411622387 22431372 CC1=CC2=C(C=C1)N=C(C3=NN=CN23)NC4=CC(=C(C=C4)C)Cl 1 4.329 5 0 4.856426308492 22431309 CC1=CC(=C(C=C1)C)NC2=NC3=CC=CC=C3N4C2=NN=C4 1 3.664 5 0 3.46190250037297 22431308 CCC1=CC=CC(=C1NC2=NC3=CC=CC=C3N4C2=NN=C4)C 1 4.12 5 0 1.51000390997064 22431305 COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NN=C4)Cl 1 3.34 5 1 3.60315818511122 22431304 CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NN=C4)C 1 3.664 5 0 4.19005822788739 22431237 CC1=CC(=C(C=C1)NC(=O)C(=O)CC(=O)C2=CC(=CC=C2)OC)Cl 1 3.545 1 4 0.532981303848946 22431236 COC1=CC=CC(=C1)C(=O)CC(=O)C(=O)NC2=CC(=C(C(=C2)OC)OC)OC 1 2.345 1 7 0 -6.51663572074922 22431233 CC1=C(C(=CC=C1)C)NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)OC 1 3.367 1 4 -2.42512208014479 22431231 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)OC 1 3.579 1 6 0 -6.20311658892969 22431228 COC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC=CC=C2Cl 1 3.059 1 4 -0.733796983751269 22431227 COC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC=CC=C2OC 1 2.378 1 5 -4.09740315382326 22431226 COC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC(=C(C=C2)OC)Cl 1 3.043 1 5 -1.62715933853747 22431224 CCOC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)OC 1 2.727 1 5 -4.98838380297764 22431222 COC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=C(C=CC(=C2)OC)OC 1 2.362 1 6 0 -3.61143229086968 22431221 COC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC(=C(C(=C2)OC)OC)OC 1 2.345 1 7 0 -5.81337068137665 22431219 CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)OC 1 2.135 1 5 -3.26526007441096 22431218 COC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC=CC=C2C(F)(F)F 1 3.337 1 4 -1.59594692174214 22430945 COC1=CC=CC(=C1)NC(=O)CS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.104 3 4 0 -8.42389215844337 22430904 COCCN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3CCCCC3 1 1.739 3 3 0 -21.7173313992299 22430903 COCCN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3CCCC3 1 1.283 3 3 0 -21.3628628850618 22430890 COCCN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3=CC=CC=C3F 1 1.663 3 3 0 -19.388219559755 22430878 CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2CCOC)SCC3 1 1.256 3 3 0 -22.2384366517022 22430877 COCCN1C(=O)C2=C(CCS2)N=C1SCC(=O)N3CCOCC3 1 -0.226 3 4 0 -21.1176234975734 22430876 COCCN1C(=O)C2=C(CCS2)N=C1SCC(=O)N3CCCCC3 1 1.004 3 3 0 -19.5493270477978 22430873 CCN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3=NOC(=C3)C 1 1.076 4 3 0 -24.8421692615207 22430863 CCN1C(=O)C2=C(CCS2)N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.712 3 4 0 -21.1535377124104 22430860 CCN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3CCCCC3 1 2.219 3 2 -19.1671831363242 22430850 CCN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3=CC(=C(C=C3)OC)OC 1 1.904 3 4 0 -20.9133388988687 22430847 CCN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3=CC=C(C=C3)OC 1 1.921 3 3 0 -15.9961863589799 22430844 CCN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3=C(C=C(C=C3)F)F 1 2.348 3 2 -15.273152511678 22430827 CCN1C(=O)C2=C(CCS2)N=C1SCC(=O)N3CCC(CC3)C 1 1.735 3 2 0 -19.6882883887966 22430826 CCN1C(=O)C2=C(CCS2)N=C1SCC(=O)N3CCCCC3 1 1.484 3 2 0 -16.9991787848922 22430825 CCN1C(=O)C2=C(CCS2)N=C1SCC(=O)N3CCCC3 1 1.027 3 2 0 -16.6447102707241 22430824 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=O)N2C)SCC3 1 0.727 4 3 0 -23.5111962986265 22430815 CN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3CCCC3 1 1.414 3 2 0 -17.481741659262 22430808 CN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F 1 2.53 3 2 -15.1137328535063 22430795 CN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3=CC(=CC=C3)F 1 1.794 3 2 0 -12.4612415213111 22430794 CN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3=CC=CC=C3F 1 1.794 3 2 0 -15.5070983339553 22430778 CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C)SCC3 1 1.386 3 2 0 -18.3573154259024 22430777 CN1C(=O)C2=C(CCS2)N=C1SCC(=O)N3CCCCC3 1 1.135 3 2 0 -15.668205821998 22430775 CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNS(=O)(=O)C3=CC=C(C=C3)Br)C 1 3.749 2 3 -5.28761429485767 22430774 CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNS(=O)(=O)C3=CC=C(C=C3)Cl)C 1 3.665 2 3 -3.83095454975623 22430773 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC3=C(C(=C(C=C3)C)C)NC2=O 1 3.487 2 3 -5.84124983467685 22430769 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC2=CC3=C(C=C(C=C3)OC)NC2=O)C 1 3.47 2 4 -6.4355128477558 22430716 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NON=C32)C(=O)NC4=CC=C(C=C4)F 1 2.114 4 4 0 -8.17695372102209 22430715 CC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.394 4 4 0 -8.88883074648734 22430713 COC1=CC=CC=C1CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.899 4 5 0 -18.7656594332503 22430705 CC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.648 4 5 0 -12.603513277284 22430642 CN(CC(=O)NCC1=CC(=CC=C1)OC)S(=O)(=O)C2=CC=C(S2)Br 1 1.928 2 4 0 -13.1641199998589 22430639 CC(C1=CC=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(S2)Br 1 2.322 2 3 -12.4482405107962 22430615 COC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br 1 2.683 2 4 -16.1475890900782 22430551 C1CN(CCC1C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(S3)Br 1 2.77 2 3 -15.3158315669357 22430547 CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 3.051 2 3 -16.027708592401 22430545 COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 2.548 2 4 -16.4406748015451 22430499 C1CN(CCC1CNC(=O)NC2=C(C=CC(=C2)F)F)CC3=CC=CC=C3F 1 3.835 3 1 -3.8757575004354 22430493 COC1=CC(=CC(=C1)NC(=O)NCC2CCN(CC2)CC3=CC=CC=C3F)OC 1 3.391 3 3 -5.95625566691773 22430489 C1CN(CCC1CNC(=O)NC2=CC(=CC=C2)Br)CC3=CC=CC=C3F 1 4.172 3 1 -1.30841394936911 22430485 C1CN(CCC1CNC(=O)NC2=CC=CC=C2F)CC3=CC=CC=C3F 1 3.629 3 1 -5.70802259991584 22430462 CC1=CC(=C(C=C1)C)CN2CCC(CC2)CNC(=O)NC3=C(C(=CC=C3)Cl)C 1 5.341 3 1 -0.692252614527802 22430460 CC1=CC(=C(C=C1)C)CN2CCC(CC2)CNC(=O)NC3=CC(=C(C=C3)C)C 1 5.163 3 1 -1.46983596069406 22430420 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=C(C=C(C=C3)OC)OC 1 1.583 4 4 0 -18.6061735421136 22430406 COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 4.026 4 2 -2.35358969628165 22430391 CC1=C(C=CC=C1Cl)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.766 4 2 -13.0672470436576 22430390 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 2.944 4 2 -12.1328147133918 22430388 CCCN1CCN(CC1)CCNC(=O)NC2=C(C=CC(=C2)C)C 1 2.887 4 1 -9.15717447465861 22430387 CCCN1CCN(CC1)CCNC(=O)NC2=CC=CC=C2Cl 1 2.579 4 1 -7.37786851953738 22430385 CC1=CC=CC=C1NC(=O)NCC2CCN(CC2)CC3=CC(=CC=C3)Cl 1 4.369 3 1 -2.50672591807649 22430384 CCC1=CC=C(C=C1)NC(=O)NCC2CCN(CC2)CC3=CC(=CC=C3)Cl 1 4.825 3 1 0.907989220093997 22430383 CC1=CC(=C(C=C1)NC(=O)NCCN2CCN(CC2)C3=CC=C(C=C3)OC)Cl 1 3.848 4 2 -2.28756262242351 22430382 CC1=C(C=C(C=C1)NC(=O)NCCN2CCN(CC2)C3=CC=C(C=C3)OC)Cl 1 3.848 4 2 -2.69917554198467 22430381 CC1=C(C=C(C=C1)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3)Cl 1 3.865 4 1 -2.54751252798276 22430380 CCC1=CC=C(C=C1)NC(=O)NCCN2CCN(CC2)C3=CC=C(C=C3)OC 1 3.64 4 2 -3.37046953167248 22430378 C1CN(CCN1CCNC(=O)NC2=CC=CC=C2Cl)C3=CC=CC=C3 1 3.378 4 1 -4.27435593240679 22430377 CC1=C(C(=CC=C1)NC(=O)NCCN2CCN(CC2)C3=CC=C(C=C3)OC)C 1 3.67 4 2 -3.25201094891638 22430376 C1CN(CCN1CCNC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.378 4 1 -1.15736969130466 22430375 COC1=CC(=C(C=C1)OC)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3 1 2.681 4 3 0 -6.76791763233465 22430374 COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)NC3=C(C=CC(=C3)Cl)OC 1 3.346 4 3 0 -4.47068675986373 22430372 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)C(C)C 1 2.81 4 2 -12.6267967163519 22430368 CC1=CC(=C(C=C1)C)CN2CCC(CC2)CNC(=O)NC3=C(C=CC(=C3)Cl)OC 1 4.839 3 2 -2.28092232749994 22430352 CC1=CC(=C(C=C1)C)CN2CCC(CC2)CNC(=O)NC3=CC=C(C=C3)Cl 1 4.855 3 1 1.18934248018829 22430345 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC(=C(C=C3)OC)OC 1 1.583 4 4 0 -18.2403751620364 22430344 CC1=C(C(=CC=C1)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C 1 2.588 4 2 -13.3169267868851 22430298 COC(=O)COC1=CC(=O)OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 1.782 1 7 0 -12.1515793702999 22430294 CN1CCN(CC1)CCNC(=O)NC2=CC=C(C=C2)Cl 1 1.706 4 1 0 -2.40900764971327 22429925 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC(=O)NC3=CC=CC=C3)CC4CCCO4)OC 1 1.938 3 6 0 -17.0769055321548 22429922 COC1=C(C=C(C=C1)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CC4CCCO4)OC)OC)OC 1 1.906 3 8 0 -20.5744046593724 22429921 COC1=CC(=C(C=C1)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CC4CCCO4)OC)OC)OC 1 1.906 3 8 0 -21.0941595466035 22429533 C1CC(OC1)CNC(=O)CN2C3=C(C=C(C=C3)Cl)C(=O)N(C2=O)CC4=CC=CC=C4 1 2.642 3 4 0 -12.5269171445236 22429473 CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NCC4CCCO4)C 1 2.944 3 4 0 -17.453761111219 22429402 CSC1=CC=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3 1 2.667 2 3 -7.48022623620394 22429399 CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3 1 3.067 2 3 -9.72474999469298 22429391 CN(C1=C(C=C(C=C1)OC)OC)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.946 4 6 0 -13.6496532373122 22429390 CN(C1=CC=C(C=C1)OC)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.963 4 5 0 -12.2484446525186 22429386 C1CN(CCC1C(=O)NC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.438 4 4 0 -8.64072156961766 22429384 CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.259 4 4 0 -7.7180380388046 22429383 CC1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.639 4 4 0 -15.5728549540241 22429381 C1CN(CCC1C(=O)NC2=CC(=C(C=C2)F)F)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.184 4 4 0 -8.34607726907636 22429377 CC1CCCC(C1C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.626 4 4 0 -14.8941271660476 22429376 C1CN(CCC1C(=O)NC2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.184 4 4 0 -8.03723627321617 22429375 CC1CCCCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.374 4 4 0 -17.0212654478287 22429372 CC1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.307 4 4 0 -16.8121790315045 22429371 C1CN(CCC1C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.986 4 4 0 -15.7222498525172 22429370 COC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.764 4 5 0 -17.2796213629115 22429365 CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.158 4 4 0 -15.9238833325307 22429354 C1CN(CCC1C(=O)NC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.979 4 4 0 -7.81467792650328 22429353 C1CN(CCC1C(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.979 4 4 0 -9.89623698805748 22429349 C1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.055 4 4 0 -14.568469885392 22429346 COC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.757 4 5 0 -12.1731005885991 22429345 C1CN(CCC1C(=O)NC2=C(C=C(C=C2)Cl)F)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.643 4 4 0 -6.2694860132009 22429344 C1CN(CCC1C(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.444 4 4 0 -17.8951605349907 22429342 CC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.513 4 5 0 -12.896598988751 22429140 C1CC1(C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.68 2 3 1.70876399015765 22429137 CCOC1=CC=CC=C1NC(=O)C2(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.548 1 4 -7.15621177208204 22429129 CC1=CC(=C(C=C1)NC(=O)C2(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)Br 1 4.45 1 3 -4.01431603667805 22429127 C1CC1(C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.474 2 3 0.874249448501349 22429125 COC(=O)C1=CC=CC=C1NC(=O)C2(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.071 1 5 -9.9386044891864 22429114 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.502 2 3 -0.113234700429171 22429113 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.28 2 4 -1.09941225608738 22429094 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)NC3=CC=C(C=C3)OC 1 3.021 1 4 -5.58945679121302 22429092 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCC(CC3)C(=O)NCCCOCC)Br 1 1.723 3 5 0 -28.8886280796706 22429059 CC1(CCC(=O)N1CC2=CC(=CC=C2)OC)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.781 2 5 0 -11.3253729163064 22429058 CC1(CCC(=O)N1CC2=C(C=C(C=C2)F)Cl)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.667 2 4 -9.3933659428673 22428161 CCC1CCCCN1C(=O)CN2C3=C(C(=O)N(C2=O)CCCC(=O)NCC4=CC=CO4)SC=C3 1 2.408 4 5 0 -29.213654841987 22428159 CC1CCN(CC1)C(=O)CN2C3=C(C(=O)N(C2=O)CCCC(=O)NCC4=CC=CO4)SC=C3 1 1.759 4 5 0 -29.3197404441531 22428145 COCCNC(=O)CN1C2=C(C(=O)N(C1=O)CCCC(=O)NCC3=CC4=C(C=C3)OCO4)SC=C2 1 0.839 4 7 0 -28.8517965598187 22428140 CCN(CC)C(=O)CN1C2=C(C(=O)N(C1=O)CCCC(=O)NCC3=CC4=C(C=C3)OCO4)SC=C2 1 1.874 4 6 0 -28.723715263177 22427976 C1CC(OC1)CNC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=CC(=C4)C(F)(F)F)SC=C3 1 2.867 3 4 0 -15.4079092192872 22427956 CCOC1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NCC4CCCO4 1 2.257 3 5 0 -21.7232552298035 22427946 COC1=CC=CC(=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NC4CCCC4 1 2.952 3 4 0 -13.6738848341157 22427943 COC1=CC=CC(=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NC4CCCCC4 1 3.408 3 4 0 -14.0283533482838 22427594 CCCC1=CC(=NO1)C(=O)NC2=CC(=C(C=C2)F)Cl 1 3.635 2 2 -5.36216041788934 22427593 CCCC1=CC(=NO1)C(=O)NC2=C(C=CC(=C2)Cl)O 1 3.188 2 3 -2.00856913221825 22427569 CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)C3=NOC(=C3)C(C)C 1 4.098 4 2 -11.218706927471 22427485 C1COCCN1CCNC(=O)C2=NOC(=C2)C3=CC(=C(C=C3)Cl)Cl 1 2.885 3 3 -6.48026661566955 22427483 C1COCCN1CCCNC(=O)C2=NOC(=C2)C3=CC(=C(C=C3)Cl)Cl 1 2.948 3 3 -6.67305405418503 22427462 COC1=CC(=C(C=C1)OC)C2=CC(=NO2)C(=O)N3CCOCC3 1 1.591 2 5 0 -7.62587417286763 22427453 C1CCCN(CC1)C(=O)C2=NOC(=C2)C3=CC(=CC=C3)O 1 3.067 2 3 -0.837177165113642 22427450 C1COCCN1CCCNC(=O)C2=NOC(=C2)C3=CC(=CC=C3)O 1 1.377 3 4 0 -6.14374314708716 22427430 COC1=CC=CC=C1C2=CC(=NO2)C(=O)N3CCOCC3 1 1.607 2 4 0 -6.87724425972195 22427427 COC1=CC=CC=C1C2=CC(=NO2)C(=O)NC3CCCC3 1 3.116 2 3 -6.63090942495105 22427402 C1CCN(C1)C(=O)C2=CC(=C3C=CC(=O)C=C3)ON2 1 4.2e-002 2 3 0 -5.62923271760611 22427390 C1COCCN1C(=O)C2=NOC(=C2)C3=CC=C(C=C3)F 1 1.829 2 3 0 -3.37539277045207 22427349 CC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 3.081 1 3 -11.3846311691982 22427323 C1=CC(=CC=C1CCNC(=O)CNS(=O)(=O)C2=CC=C(S2)Br)Cl 1 2.724 2 3 -11.8278978580333 22427303 C1CN(CCC1C(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CS3 1 2.661 2 3 -18.4916416474173 22427284 CC(C)C(C(=O)NCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CS2 1 2.498 2 3 -21.0028967984469 22427229 CCCN1C=NC2=C1C=CC(=C2)NCC3=CC=C(C=C3)Br 1 4.564 3 0 -3.68684500217441 22427205 CCN(C1=CC=C(C=C1)OCC)S(=O)(=O)C2=C(NC(=O)NC2=O)C 1 0.581 3 5 0 -17.5702535616124 22427202 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(NC(=O)NC2=O)C)Br 1 0.928 3 4 0 -13.359212854306 22427173 CCC(C)C1C(=O)NC2=C(N1)C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.788 3 4 0 -21.860232291526 22427170 CCC(C)C1C(=O)NC2=C(N1)C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.308 3 4 0 -23.8511417316095 22427153 CC(C)CC1C(=O)NC2=C(N1)C=CC(=C2)C(=O)NCCCN3CCOCC3 1 1.257 4 3 0 -25.0990852111731 22427150 CC(C)CC1C(=O)NC2=C(N1)C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.72 3 4 0 -24.4742613592567 22427129 CC(C)C1C(=O)NC2=C(N1)C=CC(=C2)C(=O)NCCCN3CCOCC3 1 0.869 4 3 0 -19.0602887698157 22427127 CC(C)C1C(=O)NC2=C(N1)C=CC(=C2)C(=O)NCC3=CC=CO3 1 1.745 3 3 0 -18.7538597509951 22427126 CC(C)C1C(=O)NC2=C(N1)C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.852 3 4 0 -20.4263743579828 22427124 CC(C)C1C(=O)NC2=C(N1)C=CC(=C2)C(=O)NC3CCCCC3 1 2.838 3 2 -16.0843808591747 22427111 CC1C(=O)NC2=C(N1)C=CC(=C2)C(=O)NC3CCCCC3 1 1.995 3 2 0 -17.4948800557843 22427099 CC1CCN(CC1)C(=O)C2=CC3=C(C=C2)NCC(=O)N3 1 1.028 3 2 0 -17.1918839860671 22427063 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NCCN3CCOCC3 1 1.206 3 4 0 -13.5852924520998 22427059 CC1=CC2=C(C=C1)OCC(=O)N2C(C)C(=O)N3CCC4(CC3)OCCO4 1 1.126 2 5 0 -13.7171397143328 22427058 CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCCCN3CCCCC3 1 1.49 3 3 0 -11.3078955804495 22427049 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)CCC(=O)N4CCN(CC4)C5=CC=CC=C5)C(=C2)C 1 3.269 6 2 0 -7.98423146860503 22427047 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)CCC(=O)N4CCN(CC4)C5=CC=CC=C5OC)C(=C2)C 1 3.252 6 3 0 -9.91689239708098 22427044 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)CCC(=O)NC4=C(C=C(C=C4)OC)OC)C(=C2)C 1 2.977 5 4 0 -9.32184570990719 22427039 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C)N5CCN(CC5)C 1 2.66 6 3 0 -9.8309549008086 22427035 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)NCCC3=CC=C(C=C3)Cl)N4CCN(CC4)C 1 3.654 5 2 0 -7.0284907929446 22427032 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)NCCCOC(C)C)N3CCN(CC3)C 1 1.742 5 3 0 -14.5499745116371 22426982 CCCN(CCC)CCNC(=O)CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCOCC3 1 2.699 5 3 0 -14.8430085277773 22426975 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)N5CCOCC5 1 2.856 5 3 0 -9.36692064824933 22426964 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4)N5CCOCC5 1 2.65 5 3 0 -10.3401008688568 22426963 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4F)N5CCOCC5 1 2.856 5 3 0 -9.50558632720051 22426956 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC)N4CCOCC4 1 2.342 4 6 0 -12.1487564583018 22426953 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)NC3=C(C=C(C=C3)OC)OC)N4CCOCC4 1 2.359 4 5 0 -12.2836813251828 22426001 CC1=C(C(N2C(=N1)N=CN2)C3=C(C(=C(C=C3)OC)OC)OC)C(=O)C 1 0.472 4 4 0 -15.3916909384721 22424371 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)NC3=CC=CC(=C3)C 1 2.524 3 4 0 -9.01992036457884 22424343 CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3)OC)OC)CC4=CC=C(C=C4)OC 1 3.834 5 5 0 -21.6000320231682 22424341 CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)OC)OC)CC4=CC=C(C=C4)OC 1 3.834 5 5 0 -21.9770390089325 22424229 COC1=CC=CC(=C1)NC2=NN3C(=O)C4=C(C=C(C=C4)C(=O)NCC5=CC=CC=N5)N=C3S2 1 3.488 6 3 0 -15.9524002311935 22424060 C1=CC=C2C(=C1)NC(=N2)C3=CC4=C(C(=CC=C4)O)OC3=O 1 3.058 2 3 7.38920837475968 22424021 CC(C)OCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3CCC(=O)O 1 1.442 4 4 0 -15.0147542268049 22423999 CN(CC1=CC=CO1)C(=O)CCCC2=NN=C3N2C4=C(C(=O)N3CCCOC)SC=C4 1 1.675 5 4 0 -23.4389179806034 22423982 CC(C)CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)NC4CCN(CC4)CC5=CC=CC=C5 1 3.658 6 2 0 -18.7095444480594 22423871 CC(C)CCNC(=O)CCC1=NC2=C(C=CC=N2)C(=O)N1CC3=CC=C(C=C3)OC 1 2.994 4 3 0 -17.942203814751 22423592 COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)C3=CN4C(=NC5=CC=CC=C5C4=O)C=C3 1 2.257 5 3 0 -12.7117258735498 22423430 COC1=CC(=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)NC2=O)OC 1 3.394 3 7 0 -16.8847868458403 22423427 COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)C4=CC=CC=C4 1 3.122 3 4 0 -13.121857606145 22423337 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCCCC(=O)NC3CCCC3)OC 1 2.681 3 5 0 -17.1773303283444 22423328 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)N4CCC(CC4)N5CCCCC5)OC 1 2.763 4 5 0 -8.84658642898303 22423307 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCC(=O)NC3CCCCC3)OC 1 2.225 3 5 0 -17.4016485067133 22423297 COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5F)NC2=O 1 3.586 4 4 0 -4.33012959129332 22423292 CCCN1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4 1 2.914 5 3 0 -12.7420954746141 22423275 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3CCCCC3C)NC1=O 1 3.259 4 3 0 -16.7858845723155 22423210 COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)OC)NC2=O 1 3.364 4 5 0 -5.72965988002494 22423209 COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC)NC2=O 1 3.364 4 5 0 -6.92853221251614 22423195 CCC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCOC 1 1.867 4 4 0 -17.352151723403 22423190 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)NC1=O 1 2.625 4 4 0 -2.75956090534882 22423187 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CCOC 1 2.655 4 4 0 -9.03290768442566 22423166 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCN3CCC(CC3)C)NC1=O 1 3.071 4 3 0 -16.2506916855031 22423164 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3CCCCC3CC)NC1=O 1 3.783 4 3 0 -15.6165664277554 22423150 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)NC1=O 1 3.804 4 3 0 -6.13847725244255 22423077 CCCCN(CC)CCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CC(CC(C3)C)C 1 2.437 5 4 0 -31.1705203100045 22422955 CCOCCCNC(=O)C1=CC=C(C=C1)NC(=O)C2CCCO2 1 0.771 2 4 0 -23.8131780379997 22422945 CC1=C(C(=NC2=NC(=NN12)SCC(=O)NCCCN3CCCCCC3)C)CC4=CC=CC=C4 1 4.477 6 1 0 -20.2552572422339 22422944 CCC1CCCCN1CCCNC(=O)CSC2=NN3C(=C(C(=NC3=N2)C)CC4=CC=CC=C4)C 1 4.922 6 1 0 -22.4096991065094 22422943 CC1=C(C(=NC2=NC(=NN12)SCC(=O)NCCCN3CCCCC3)C)CC4=CC=CC=C4 1 4.021 6 1 0 -20.2552572422339 22422881 CC1=CC=CC=C1CC2=C(N3C(=NC(=N3)SCC(=O)NCCCN4CCCCC4)N=C2C)C 1 4.507 6 1 0 -20.0197139505936 22422882 CC1=CC=CC=C1CC2=C(N3C(=NC(=N3)SCC(=O)NCCCN4CCCC4)N=C2C)C 1 4.051 6 1 0 -19.6652454364255 22422920 CC1=C(C(=NC2=NC(=NN12)SCC(=O)NCCCN3CCCC3)C)CC4=CC=CC=C4Cl 1 4.229 6 1 0 -19.2969104368313 22422907 CC1=CC=C(C=C1)CC2=C(N3C(=NC(=N3)SCC(=O)NCCCN4CCCC4)N=C2C)C 1 4.051 6 1 0 -19.27427041762 22422906 CC1=CC=C(C=C1)CC2=C(N3C(=NC(=N3)SCC(=O)NCCCN4CCCCCC4)N=C2C)C 1 4.963 6 1 0 -19.6287389317881 22422905 CCC1CCCCN1CCCNC(=O)CSC2=NN3C(=C(C(=NC3=N2)C)CC4=CC=C(C=C4)C)C 1 5.408 6 1 0 -21.7831807960636 22422904 CC1=CC=C(C=C1)CC2=C(N3C(=NC(=N3)SCC(=O)NCCCN4CCCCC4)N=C2C)C 1 4.507 6 1 0 -19.6287389317881 22422857 CC1CCCCC1NC(=O)CCCCN2C(=O)C3=C(C=CS3)NC2=O 1 2.986 3 3 -19.0770534842366 22422851 C1CCC(CC1)NC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=O 1 2.211 3 3 -15.9697487583534 22422847 CC1CCC(CC1)NC(=O)CCCCN2C(=O)C3=C(C=CS3)NC2=O 1 2.919 3 3 -18.2863581227287 22422835 CC(=O)NCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)NC2=O 1 0.708 4 4 0 -14.103683762583 22422818 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCCN3C(=O)C4=C(C=CS4)NC3=O 1 3.052 4 3 0 -15.694028598912 22422723 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N(C)C3=CC=CC=C3OCC 1 2.531 2 5 0 -13.1672710404579 22422682 C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCC(=O)NC3=C(C=C(C=C3)F)F 1 1.039 3 3 0 -14.8119373988006 22422668 CCCCN(C)CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3 1 4.654 3 1 -11.9261105228225 22422557 CCC(C)C(C(=O)NC1=CC=C(C=C1)OC)NC(=O)C2CCC(CC2)C 1 4.155 2 3 -22.6744204919152 22422538 CC(C)C(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2CCC(CC2)C(C)(C)C 1 3.663 3 4 0 -27.0623297350542 22422530 CCC1CCC(CC1)C(=O)NC(CCSC)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.689 3 4 0 -29.0635138824015 22422509 CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=CC=CC=C3F 1 1.85 2 4 0 -14.5103464470793 22422507 CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=CC(=C(C=C3)OC)OC 1 1.612 2 6 0 -16.9999583604339 22422505 CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=C(C=C(C=C3)OC)OC 1 1.612 2 6 0 -17.4294034528876 22422473 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4=C(C=C(C=C4F)F)F 1 3.124 2 5 0 -12.2109807758732 22422472 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCCCOC 1 0.855 2 6 0 -16.2010796976662 22422248 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N(C)C3=CC=C(C=C3)OC)Br 1 3.323 2 4 -12.6919327971908 22422235 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NCCCN(CC)CC3=CC=CC=C3)Br 1 3.69 3 3 -12.6925233535631 22422233 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NCCCN(C)CC3=CC=CC=C3)Br 1 3.341 3 3 -10.662417371895 22422222 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NC3CCN(CC3)CC4=CC=CC=C4)Br 1 3.251 3 3 -11.1875154623658 22422194 C1=CSC(=C1)S(=O)(=O)NCC(=O)NCCC2=CC=C(C=C2)Cl 1 2.156 2 3 -14.047387032022 22422132 CC1CCCC(N1CCCNC(=O)C2CCCN(C2)C3=NC4=C(S3)C=C(C=C4)OC)C 1 3.669 4 2 -11.1801710068673 22421910 CCN(CC)CCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC=CC=C3)O 1 2.979 4 3 0 -6.6811045740261 22421911 CCN(CC)CCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=C(C=CC=C3F)F)O 1 3.39 4 3 0 -6.34947175975808 22421916 CCOC1=CC=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NC(C)C)O)C=C(C=C3)Br 1 3.201 3 4 0 -10.354964986145 22421834 CCN(C1=CC(=C(C=C1)C)C)C(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 3.337 3 4 0 -13.8270979624906 22421833 CCN(C1=CC=C(C=C1)F)C(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 2.57 3 4 0 -12.3864004647736 22421832 CCN(C1=CC=C(C=C1)OCC)C(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 2.697 3 5 0 -14.0591675478839 22421823 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 2.014 3 6 0 -15.6514497120531 22421821 CC1=C(C(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32)C 1 2.782 3 4 0 -10.6465506657694 22421774 CCN(CC)CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCC(CC3)C 1 1.132 5 4 0 -32.8853078475226 22421773 CCOC(=O)C1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCC(CC4)C 1 1.116 4 6 0 -31.5012218407443 22421771 CCCN(CCC)CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCOCC3 1 0.699 5 5 0 -32.598495969002 22421767 CCOC(=O)C1CCCN(C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCOCC4 1 -0.23 4 7 0 -31.9359690536062 22421757 CCOC(=O)C1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCCCC4 1 0.864 4 6 0 -28.7098477789495 22421754 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCC(=O)OC)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 0.385 5 7 0 -32.5226325946648 22421616 CCN1CCN(CC1)CCCNC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 1.521 6 4 0 -16.1248938956511 22421614 CC1CC(CN(C1)CCCNC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC)C 1 2.77 5 4 0 -20.7097082922465 22421613 CCC1CCCCN1CCCNC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 3.033 5 4 0 -18.012307633034 22421611 CN1CCN(CC1)CCCNC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 1.172 6 4 0 -13.8634906783936 22421610 CCN(CCCNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC)C4=CC=CC(=C4)C 1 3.722 5 4 0 -16.5791972249541 22421608 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)OC 1 2.832 5 5 0 -10.8373509733106 22421607 CCN1CCN(CC1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 1.525 5 4 0 -12.9560236388667 22421606 CC1CC(CN(C1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC)C 1 2.775 4 4 0 -16.0420158363721 22421605 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)CC5=CC=CC=C5 1 2.76 5 4 0 -10.4418493071215 22421602 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCCCN4CCOCC4 1 0.902 5 5 0 -18.2564719796705 22421601 CC1CCN(CC1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 2.388 4 4 0 -16.795513714189 22421600 CCOC(=O)C1CCN(CC1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 1.896 4 6 0 -17.2103024163903 22421557 CC1CCCN(C1)CCCN2C(C34C=CC(O3)C(C4C2=O)C(=O)NC5=CC=C(C=C5)C)C(=O)NC6CCCCC6 1 3.085 4 4 0 -3.32231058784702 22421555 CCCCN(C)CCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC=C(C=C4)C)C(=O)NC5CCCCC5 1 3.115 4 4 0 -1.70144896337382 22421554 CCCN(CCC)CCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC=C(C=C4)C)C(=O)NC5CCCCC5 1 3.532 4 4 0 -3.10647216235307 22421529 CCN(CC)CCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC=C(C=C4)C(C)C)C(=O)NC5CCCCC5 1 3.192 4 4 0 -2.34651881230663 22421517 CC1=CC(=CC(=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4C(=O)NC5CCCCC5)CCCN6CCCCC6)O3)C 1 3.252 4 4 0 -2.58994661262436 22421515 CC1=CC(=CC(=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4C(=O)NC5CCCCC5)CCCOC)O3)C 1 2.066 3 5 0 -3.88311156939131 22421514 CCN(CC)CCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC(=CC(=C4)C)C)C(=O)NC5CCCCC5 1 2.97 4 4 0 -3.09417642480642 22421512 CC1=C(C=C(C=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4C(=O)NC5CCCCC5)CCCN6CCCCC6)O3)C 1 3.252 4 4 0 -2.37366351141632 22421510 CC1=C(C=C(C=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4C(=O)NC5CCCCC5)CCN6CCOCC6)O3)C 1 1.96 4 5 0 -5.31183501667985 22421480 CCOCCCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC=C(C=C4)OCC)C(=O)NC5CCCCC5 1 1.774 3 6 0 -5.66576908216826 22421470 CCOC1=CC=C(C=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4C(=O)NC5CCCCC5)CC6=CN=CC=C6)O3 1 1.927 4 5 0 -3.10072688228314 22421467 C1CCC(CC1)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCN5CCCCC5)C(=O)NC6=CC=C(C=C6)Cl 1 2.882 4 4 0 -0.542946974237598 22421466 CCCCN(C)CCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC=C(C=C4)Cl)C(=O)NC5CCCCC5 1 3.293 4 4 0 0.120549727212995 22421458 C1CCC(CC1)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCN5CCCCC5)C(=O)NC6=CC(=CC=C6)Cl 1 2.882 4 4 0 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-7.5247518970558 20940135 CC1=C(N(C2=C1C=C(C=C2)C(=O)NCCCN3CCOCC3)CC4=CC=CC=C4)C 1 3.641 3 2 -7.71753933557128 20940117 CCN1C(=C(C2=C1C=CC(=C2)C(=O)NCCC3=CC=CO3)C)C 1 3.531 2 2 -4.3750353358042 20940111 CCN1C(=C(C2=C1C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)C)C 1 4.382 2 1 -4.30456280442718 20940110 CCN1C(=C(C2=C1C=CC(=C2)C(=O)N3CCCC3)C)C 1 3.184 2 1 -0.519226862984424 20940096 CCN1C(=C(C2=C1C=CC(=C2)C(=O)NCCN3CCCCCC3)C)C 1 4.03 3 1 -3.16344057640159 20940095 CCN1C(=C(C2=C1C=CC(=C2)C(=O)NCCCN3CCCC3)C)C 1 3.18 3 1 -3.00175950074899 20940094 CCN1C(=C(C2=C1C=CC(=C2)C(=O)NCCCN3CCCCCC3)C)C 1 4.092 3 1 -3.35622801491707 20940093 CCN1C(=C(C2=C1C=CC(=C2)C(=O)NCCCN3CCN(CC3)C)C)C 1 2.676 4 1 -1.36185292455225 20940087 CCN1C(=C(C2=C1C=CC(=C2)C(=O)NCCN3CCOCC3)C)C 1 2.344 3 2 -5.56204678731367 20940074 CCN1C(=C(C2=C1C=CC(=C2)C(=O)NCCCN3CCOCC3)C)C 1 2.406 3 2 -5.75483422582915 20940064 CCN1C(=C(C2=C1C=CC(=C2)C(=O)NC3CCCCCC3)C)C 1 4.832 2 1 -2.77892631518815 20940054 CC1=C(N(C2=C1C=C(C=C2)C(=O)NCCC3=CC=CO3)C)C 1 3.182 2 2 -5.17267876793614 20940046 CC1=C(N(C2=C1C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)C)C 1 3.393 4 1 1.486940830288 20940035 CC1=C(N(C2=C1C=C(C=C2)C(=O)NCCCN(C)C3CCCCC3)C)C 1 4.228 3 1 -8.36564367368618 20940034 CC1=C(N(C2=C1C=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F)C)C 1 4.205 4 1 6.5321822331902e-002 20940031 CC1=C(N(C2=C1C=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4F)C)C 1 4.205 4 1 -7.33438566192845e-002 20940027 CC1=C(N(C2=C1C=C(C=C2)C(=O)NCCCN3CCCC3)C)C 1 2.831 3 1 -3.79940293288093 20940026 CCC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)C 1 4.188 3 1 -6.30831331132452 20940025 CC1=C(N(C2=C1C=C(C=C2)C(=O)NCCCN3CCN(CC3)C)C)C 1 2.327 4 1 -2.15949635668418 20940020 CC1=C(N(C2=C1C=C(C=C2)C(=O)NCCN3CCOCC3)C)C 1 1.995 3 2 0 -6.35969021944561 20940009 CC1=C(N(C2=C1C=C(C=C2)C(=O)NCCCN3CCOCC3)C)C 1 2.057 3 2 -6.55247765796109 20939988 CC1=C(NC2=C1C=C(C=C2)C(=O)NCCCN(C)C3CCCCC3)C 1 4.022 3 1 -7.79453406151681 20939982 CC1=C(NC2=C1C=C(C=C2)C(=O)NCCN3CCCCCC3)C 1 3.475 3 1 -3.38997439636416 20939981 CC1=C(NC2=C1C=C(C=C2)C(=O)NCCCN3CCCC3)C 1 2.625 3 1 -3.22829332071156 20939980 CC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)NC(=C3C)C 1 3.459 3 1 -6.6882225405081 20939979 CC1=C(NC2=C1C=C(C=C2)C(=O)NCCCN3CCCCCC3)C 1 3.537 3 1 -3.58276183487964 20939978 CC1=C(NC2=C1C=C(C=C2)C(=O)NCCCN3CCN(CC3)C)C 1 2.121 4 1 -1.58838674451481 20939975 CC1=C(NC2=C1C=C(C=C2)C(=O)NCCN3CCOCC3)C 1 1.789 3 2 0 -5.78858060727624 20939974 CC1CCC(CC1)NC(=O)C2=CC3=C(C=C2)NC(=C3C)C 1 4.073 2 1 -5.2491692812632 20939971 CC1=C(NC2=C1C=C(C=C2)C(=O)NCCCN3CCOCC3)C 1 1.852 3 2 0 -5.98136804579172 20939863 CCCCN(CC1=CC=CS1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3 1 3.294 3 3 -12.6176446703272 20939862 COCCN(CC1=CC=CS1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3 1 1.835 3 4 0 -11.8331504713121 20939852 C1CN(CCC1CNS(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3)CC4=CC(=CC=C4)F 1 2.914 4 3 0 -5.43045016938303 20939847 COC1=C(C=C(C=C1)CNS(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3)OC 1 1.987 3 5 0 -12.0539374713875 20939845 CC1=CC(=CC=C1)CNS(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3 1 2.506 3 3 -6.38375516463212 20939844 C1=CC(=CC(=C1)Br)CNS(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3 1 2.768 3 3 -7.08806614327095 20939843 C1CN(CCC1CNS(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3)CC4=CC=CC=C4F 1 2.914 4 3 0 -8.82794421658086 20939832 CN(C)CCN(CC1=CC=CO1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3 1 1.546 4 4 0 -12.4908320045055 20939831 CC(C)CCN(CC1=CC=CO1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3 1 2.988 3 4 0 -14.1922293925563 20939830 CCCCN(CC1=CC=CO1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3 1 2.736 3 4 0 -13.3540662701555 20939822 CC(C)N(C)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3 1 1.479 4 3 0 -15.5827922206608 20939815 CC1=CC=C(C=C1)CN2CCC(CC2)CNS(=O)(=O)C3=CC=C(S3)C4=NNC(=O)C=C4 1 3.195 4 3 0 -6.87322924011806 20939814 CC1=C(C=C(C=C1)N(C)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3)C 1 3.191 3 3 -9.21880990188082 20939812 CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3 1 2.551 3 4 0 -10.7761163731242 20939800 CCOCCCN(C)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3 1 1.033 4 4 0 -20.9096683009453 20939799 CC(C)OCCCN(C)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3 1 1.411 4 4 0 -20.6599642104043 20939787 CN(C)CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3 1 2.364 4 3 0 -11.5132968169963 20939783 CC1=NOC(=C1)C2=CC(=C(C=C2)C(C)C)S(=O)(=O)N3CC(=O)NC4=CC=CC=C43 1 3.07 3 4 0 -12.737729511411 20939782 CC1=NOC(=C1)C2=CC(=C(C=C2)C(C)C)S(=O)(=O)N3CCOC4=CC=CC=C43 1 4.066 2 4 -7.23047093912337 20939777 CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CC(=O)NC4=CC=CC=C43 1 2.818 3 4 0 -13.3329694303843 20939775 CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCOC4=CC=CC=C43 1 3.814 2 4 -7.82571085809664 20939773 CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCOC4=C3C=C(C=C4)C 1 4.3 2 4 -8.41423221822942 20939769 CC1=C(C=C(C=C1)C2=C(C(=NO2)C)C)S(=O)(=O)N3CCOC4=CC=CC=C43 1 3.844 2 4 -9.34019147775611 20939768 CC1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=C(C=CC(=C3)C4=C(C(=NO4)C)C)C 1 4.222 2 4 -7.68171175404442 20939760 CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CC(=O)NC4=CC=CC=C43 1 2.362 3 4 0 -14.6271749100185 20939758 CC1=CC2=C(C=C1)OCCN2S(=O)(=O)C3=C(C=CC(=C3)C4=CC(=NO4)C)C 1 3.844 2 4 -9.70843769786362 20939726 COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)N=CC=C3)S(=O)(=O)N4CCOC5=CC=CC=C54 1 2.203 3 6 0 -9.62254345220976 20939725 CC1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=C(C=CC(=C3)CN4C(=O)C5=C(C4=O)N=CC=C5)OC 1 2.58 3 6 0 -7.96406372849807 20939724 CC1=CC2=C(C=C1)OCCN2S(=O)(=O)C3=C(C=CC(=C3)CN4C(=O)C5=C(C4=O)N=CC=C5)OC 1 2.689 3 6 0 -9.92537399148395 20939723 COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)N=CC=C3)S(=O)(=O)N4CCOC5=C4C=C(C=C5)Cl 1 2.867 3 6 0 -7.42418118245646 20938683 CCOC(=O)C1=C(NC(=C1S(=O)(=O)N(C)CC(=O)NCC2=CC=CC(=C2)C)C)C 1 1.665 3 5 0 -14.1483975060712 20938662 CN1C=C(C=C1C(=O)OC)S(=O)(=O)NCC2CCN(CC2)CCC3=CC=CS3 1 2.448 3 4 0 -7.23440741051171 20938661 CN1C=C(C=C1C(=O)OC)S(=O)(=O)NCC2CCN(CC2)CCC3=CC=C(C=C3)OC 1 2.764 3 5 0 -3.23816080736786 20938650 CC1=CC(=C(C=C1)C)CN2CCC(CC2)CNS(=O)(=O)C3=CN(C(=C3)C(=O)OC)C 1 3.432 3 4 0 -3.6719656913731 20938641 CN1C=C(C=C1C(=O)OC)S(=O)(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl 1 3.124 3 4 0 -1.79249417103298 20938628 CN1C=C(C=C1C(=O)OC)S(=O)(=O)NCCN2CCOCC2 1 1.3e-002 3 5 0 -9.33187749192361 20938626 CN1C=C(C=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.669 3 6 0 -17.2862670425143 20938623 CN1C=C(C=C1C(=O)OC)S(=O)(=O)NCCCN2CCCC2=O 1 -9.7e-002 3 5 0 -21.0331396778012 20938620 COCCCN(CC1=CC=CS1)S(=O)(=O)C2=CNC(=C2)C(=O)OC 1 1.442 2 5 0 -11.5642033120463 20938619 COC(=O)C1=CC(=CN1)S(=O)(=O)NCCCC2=CC=CO2 1 1.316 2 5 0 -9.74947152675152 20938615 COC(=O)C1=CC(=CN1)S(=O)(=O)NCC2CCN(CC2)CCC3=CC=CS3 1 2.242 3 4 0 -6.99834092644455 20938614 COC1=CC=C(C=C1)CCN2CCC(CC2)CNS(=O)(=O)C3=CNC(=C3)C(=O)OC 1 2.558 3 5 0 -3.00209432330071 20938609 COC(=O)C1=CC(=CN1)S(=O)(=O)NCC2=CC=C(C=C2)Br 1 2.313 2 4 -3.47891502342001 20938603 COC(=O)C1=CC(=CN1)S(=O)(=O)NCC2=CC(=CC=C2)Br 1 2.313 2 4 -3.73310118492718 20938602 COC(=O)C1=CC(=CN1)S(=O)(=O)NCC2CCN(CC2)CC3=CC(=CC=C3)Cl 1 2.918 3 4 0 -1.52064308753779 20938597 COC(=O)C1=CC(=CN1)S(=O)(=O)NCCC2=CC=C(C=C2)SC 1 2.428 2 4 -3.11282247610477 20938596 CCCCN(CC1=CC=CO1)S(=O)(=O)C2=CNC(=C2)C(=O)OC 1 2.281 2 5 0 -11.8962326088043 20938591 COC(=O)C1=CC(=CN1)S(=O)(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl 1 2.918 3 4 0 -1.55642768696582 20938589 CCCN(C1=CC=CC=C1F)S(=O)(=O)C2=CNC(=C2)C(=O)OC 1 2.842 2 4 -11.4112568425586 20938588 CC1=C(C=C(C=C1)N(C)S(=O)(=O)C2=CNC(=C2)C(=O)OC)C 1 2.736 2 4 -6.86228611875623 20938586 CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CNC(=C2)C(=O)OC 1 2.096 2 5 0 -8.20871173714294 20938581 COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCC(C2)C3=CC=CC=C3 1 2 2 4 0 -8.7718881965244 20938580 COC1=CC(=C(C=C1)OC)C2CCN(C2)S(=O)(=O)C3=CNC(=C3)C(=O)OC 1 1.967 2 6 0 -12.4962385788859 20938572 CC(C)(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=CNC(=C2)C(=O)OC 1 2.702 2 4 -4.12642222750999 20938570 COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.022 3 4 0 -10.4325567387426 20938564 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCCCC2=CC=CO2)C)C)C 1 1.87 2 5 0 -11.9851863817074 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CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCN(C3)CC4=CC=C(C=C4)F 1 3.268 3 4 0 -6.54882820198677 20935135 CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)NCC3=C(C=CC(=C3)OC)OC 1 2.821 2 6 0 -5.3497534445953 20935134 CCOC1=C(C=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C3=CC(=NO3)C)OC)OC 1 3.17 2 6 0 -9.72349660260677 20935133 CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)CC3=CC=CO3 1 2.242 2 5 0 -6.75338810848151 20935132 CCN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=C(C=CC(=C2)C3=CC(=NO3)C)OC 1 3.386 2 5 0 -7.84688433891948 20935129 CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)NCCCN(C)CC3=CC=CC=C3 1 3.055 3 4 0 -4.50298409139334 20935124 CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=CC=C3 1 2.847 2 4 -3.03570443229929 20935123 CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=CC=C3OC 1 2.831 2 5 0 -6.37451855653543 20935122 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C3=CC(=NO3)C)OC 1 3.334 2 4 -1.33975288912011 20935121 CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OC 1 2.703 2 6 0 -6.70268045199484 20935118 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CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)C 1 3.008 3 4 0 -19.3662371019392 20927397 CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCC4=CC=CC=C4 1 2.364 3 4 0 -27.3027629835839 20927398 CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C 1 0.622 4 4 0 -22.0861718422107 20927400 CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCC4=CC=C(C=C4)C 1 2.85 3 4 0 -26.4879480788043 20927401 CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=CC(=C4)C)C 1 3.008 3 4 0 -19.5070862861291 20927402 CCCN1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)SC(C(=O)N4)C 1 1.495 4 4 0 -22.8071569284533 20927403 CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC(=CC=C4)OC 1 2.026 3 5 0 -26.7922600580768 20927419 CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)N(C)CC4=CC=CO4 1 1.43 3 5 0 -26.0119906418131 20927416 CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4 1 2.043 3 4 0 -27.0455097078852 20927411 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CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)OC 1 2.019 3 5 0 -19.3914505922215 20927365 CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)OC 1 2.019 3 5 0 -19.1745831017555 20927361 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NC2=CC=C(C=C2)CN3CCC(CC3)C)C)C)C 1 3.355 3 4 0 -5.09871558777324 20927359 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCCC2=CC=CS2)C)C)C 1 2.107 2 4 -11.0456420138421 20927355 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N(C)CC2=CC=CO2)C)C)C 1 1.507 2 5 0 -8.79682613218895 20927352 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NC2=CC=CC(=C2)C3=CC=NO3)C)C)C 1 2.376 3 5 0 -1.84520447867762 20927343 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NC2=CC=CC=N2)C)C)C 1 1.501 3 4 0 -5.70561086308347 20927336 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NC2=C(C=C(C=C2)F)Cl)C)C)C 1 2.982 2 4 -4.01432836062129 20927335 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NC2=C(C=C(C=C2)F)C)C)C)C 1 2.804 2 4 -5.3339205248458 20927334 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2C(CC3=CC=CC=C32)C)C)C)C 1 2.77 2 4 -10.2130697438454 20927333 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20927249 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NC2=NC=C(C=C2)C)C)C)C 1 1.987 3 4 0 -8.38229524408463 20927119 CCOC1=C(C=C(C=C1)CNS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3)OC 1 1.777 3 6 0 -12.2977024219555 20927117 CCN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3 1 1.993 3 5 0 -10.644033097005 20927112 COC1=CC(=C(C(=C1)Cl)NS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3)OC 1 2.086 3 6 0 -6.87332878510927 20927111 C1=CC(=CC(=C1)Br)NS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3 1 2.203 3 4 0 -4.12769024657441 20927110 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3)N(C)C 1 2.103 4 4 0 -8.55326444899449 20927109 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3 1 1.454 3 4 0 -5.72284727346524 20927108 CCOC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3)OCC 1 2.447 3 6 0 -13.2252884014641 20927107 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3 1 1.941 3 4 0 -3.69876123173062 20927104 C1CCN(CC1)S(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3 1 1.001 3 4 0 -13.4031859760245 20927102 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3)Cl 1 2.119 3 4 0 -6.09500280973717 20927101 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3 1 1.941 3 4 0 -5.56619313509189 20927099 CCN(CC)C1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3)C 1 2.801 4 4 0 -11.572686610586 20927046 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3)C 1 2.427 3 4 0 -7.40303434426176 20927044 CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3 1 2.495 3 4 0 -10.0216916807384 20927043 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3 1 2.427 3 4 0 -6.91200469941951 20927042 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3)Cl 1 2.605 3 4 0 -5.15455093115102 20927041 CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3 1 2.605 3 4 0 -4.93290506881912 20927040 COC1=CC(=CC(=C1OC)OC)NS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3 1 1.405 3 7 0 -11.3351486387265 20927039 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(O2)C3=NNC(=O)C=C3 1 1.941 3 4 0 -7.20538602327498 20927036 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CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC(=O)NCC4=CC(=C(C=C4)OC)OC)C)C 1 2.936 5 4 0 -14.8801523212939 20919841 CCOC1=CC=CC=C1CNC(=O)CN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=C(C=C4)C 1 3.302 5 3 0 -13.22975232117 20919838 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC(=O)NC4CCCCC4)C)C 1 3.244 5 2 0 -8.50597108514279 20919837 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC(=O)NC(C)CCC4=CC=CC=C4)C)C 1 4.124 5 2 0 -10.0901576395397 20919836 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC(=O)NCCC4=CCCCC4)C)C 1 3.713 5 2 0 -13.0611704732452 20919834 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC(=O)NCC4=CC=CS4)C)C 1 2.709 5 2 0 -13.0135235235544 20919826 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC(=O)NCCCC4=CC=CC=C4)C)C 1 3.747 5 2 0 -11.6045136157258 20919821 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC(=O)NC4CCCCCC4)C)C 1 3.7 5 2 0 -8.50597108514279 20919820 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC(=O)NCCC4=CC=C(C=C4)Cl)C)C 1 3.955 5 2 0 -7.75171947892465 20919818 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC(=O)NCC4=CC=CC=C4Cl)C)C 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CCC(C(=O)NCCCC1=CC=CC=C1)N2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4 1 4.268 5 2 0 -11.7038680563078 20919745 CCC(C(=O)NCC1=CC=CO1)N2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4 1 2.673 5 3 0 -11.6727285250334 20919744 CCC(C(=O)NC1CCCCCC1)N2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4 1 4.222 5 2 0 -10.2088451433228 20919741 CCC(C(=O)NC1=CC=CC=C1Cl)N2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4 1 4.149 5 2 0 -8.3553130972851 20919739 CCC(C(=O)NC1=CC(=CC=C1)OC)N2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4 1 3.468 5 3 0 -9.13001533685127 20919736 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCCC4=CC=CC=C4OC)C 1 3.272 5 3 0 -14.0501206370006 20919735 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCCC4=CC=CO4)C 1 2.397 5 3 0 -11.0083340108201 20919732 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCC4=C(C=CC(=C4)OC)OC)C 1 2.935 5 4 0 -10.3333053408189 20919731 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCC4=CC=C(C=C4)SC)C 1 3.509 5 2 0 -6.9425949562037 20919727 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)N4CCOCC4)C 1 1.277 5 3 0 -10.9066113878566 20919726 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)N4CCCC4)C 1 2.051 5 2 0 -8.98384642391291 20919721 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCCC4=C(C=CC(=C4)OC)OC)C 1 3.256 5 4 0 -12.1003232183267 20919720 CCOC1=CC=C(C=C1)CCNC(=O)C(C)N2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4 1 3.621 5 3 0 -10.2850947816047 20919719 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCCC4=CC=CS4)C 1 2.956 5 2 0 -12.695287389589 20919718 CCOC1=CC=C(C=C1)CNC(=O)C(C)N2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4 1 3.3 5 3 0 -10.3269012575257 20919714 CCOC1=CC=CC=C1CNC(=O)C(C)N2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4 1 3.3 5 3 0 -12.3806055334787 20919713 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCC4=CC=CC=C4F)C 1 3.173 5 2 0 -10.7531026430684 20919712 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCCN4CCCCCC4)C 1 2.896 6 2 0 -9.69934502489273 20919711 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCCCN4CCCC4)C 1 2.046 6 2 0 -9.53766394924012 20919706 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3 -13.4247934124209 20911635 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C4)C 1 1.511 3 4 0 -17.7619815328704 20911633 CN1C(=O)CC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.436 3 3 -8.87731551515398 20911434 CC1=C(C=C(C=C1)S(=O)(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)NCCCN5CCCC5=O)C 1 2.829 6 3 0 -24.4014495018744 20911432 CC1=C(C=C(C=C1)S(=O)(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)NC5CCN(CC5)CC6=CC=CC=C6)C 1 4.807 6 2 0 -10.3390609160681 20911425 CCN(C1=CC=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3Br 1 3.017 3 4 0 -18.8101587232311 20910993 C1CN(CCN1C(=O)C2=CC=CC=C2Br)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br 1 4.304 4 2 -2.2937610819707 20910953 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br 1 3.506 4 5 0 -5.23893973039598 20910946 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC=C4 1 2.758 4 5 0 -6.07879509219656 20910912 COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4F 1 2.996 4 3 0 -2.69010461384217 20910619 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CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)N4CCC(CC4)C(=O)N5CCCCC5 1 2.286 3 4 0 -25.6758289195503 20902117 CC1CC(CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C5CC5)C 1 2.925 3 4 0 -26.7993807595654 20902110 CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)N4CCC(CC4)C(=O)NCCC(C)C 1 2.744 3 4 0 -32.9690986962085 20902104 CC1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C5CC5 1 2.538 3 4 0 -27.8024236070965 20902103 CC1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C5CC5 1 2.605 3 4 0 -25.56964285683 20902102 CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)N4CCC(CC4)C(=O)NCC5=CC=C(C=C5)C 1 3.233 3 4 0 -28.0641224897667 20902092 CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)N4CCC(CC4)C(=O)N(C)CC5=CC=CC=C5 1 2.952 3 4 0 -26.3000664662114 20902029 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC3C(=O)NCC4=CC=C(C=C4)Cl 1 2.629 3 4 0 -20.2819538959989 20902025 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C 1 2.444 3 4 0 -18.9494146499647 20902010 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC3C(=O)NC4=CC(=CC=C4)F 1 2.163 3 4 0 -17.2982468885559 20902008 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC3C(=O)NC4=CC(=CC(=C4)OC)OC 1 1.925 3 6 0 -22.3757719597744 20902006 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC3C(=O)NCC4=CC=CC=C4Cl 1 2.629 3 4 0 -23.4675920170692 20901999 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)OC)OC 1 1.925 3 6 0 -24.4193713032192 20901996 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)Cl 1 2.788 3 4 0 -23.4713510463198 20901994 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4OC 1 2.1 3 5 0 -20.9349292209984 20901992 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)N4CCCCC4 1 1.663 3 4 0 -23.9052823358173 20901991 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=CC=C4 1 2.124 3 4 0 -26.1081646416862 20901989 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC=C(C=C4)F 1 2.322 3 4 0 -17.3292622914132 20901984 CC1CCCC(C1C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 2.97 3 4 0 -23.1750494880486 20901983 CC1CCC(CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 2.65 3 4 0 -25.0390011656406 20901980 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=CC=C4OC 1 2.107 3 5 0 -27.8205737771167 20901978 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC(=CC(=C4)C)C 1 3.089 3 4 0 -18.5697412199302 20901974 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=C(C=C(C=C4)C)C 1 3.089 3 4 0 -20.3053934746439 20901970 CCOC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 2.449 3 5 0 -19.2203286777306 20901969 CC1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 1.915 3 4 0 -25.9777768354987 20901968 CC1CCCN(C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 1.983 3 4 0 -24.1620685485996 20901966 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)OC 1 2.107 3 5 0 -25.7063159460508 20901964 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC(=CC=C4)F 1 2.322 3 4 0 -16.3899715554696 20901963 CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 3.059 3 4 0 -18.2805774526575 20901962 CCC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 3.059 3 4 0 -19.523516146967 20901959 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4CCCCC4 1 2.399 3 4 0 -23.481792932181 20901957 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=CC=C4Cl 1 2.788 3 4 0 -26.6569891673901 20901955 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC(=CC=C4)Cl 1 2.781 3 4 0 -15.4321079643946 20901954 CCC(C)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(C3)C)C(=O)C 1 1.79 3 4 0 -27.9886597248492 20901953 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC=C(C=C4)OC 1 2.1 3 5 0 -18.4541055260226 20901947 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)N(C)C 1 2.151 4 4 0 -28.2477218269862 20901945 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)Cl 1 2.653 3 4 0 -23.7644367577868 20901943 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4OC 1 1.965 3 5 0 -21.2280149324654 20901942 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C 1 2.468 3 4 0 -16.5864173792379 20901941 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC=N4 1 1.37 4 4 0 -17.9886215289773 20901939 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCCCC4 1 1.528 3 4 0 -24.1989488623475 20901938 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4 1 1.989 3 4 0 -26.4012503531532 20901936 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)F 1 2.187 3 4 0 -17.6223480028802 20901932 CCC(CC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 3.211 3 4 0 -22.193087347057 20901928 CC1CCCC(C1C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 2.835 3 4 0 -23.4140350116507 20901927 CC1CCCCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 2.583 3 4 0 -25.5411732934319 20901926 CC1CC(CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C)C 1 2.167 3 4 0 -25.3225007023626 20901925 CC1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 2.515 3 4 0 -25.3320868771076 20901923 CCC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 2.924 3 4 0 -17.6247177500228 20901921 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F 1 2.194 3 4 0 -24.8745584229083 20901920 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC(=CC=C4)OC 1 1.972 3 5 0 -26.1480007033449 20901919 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4OC 1 1.972 3 5 0 -28.1136594885836 20901916 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=CC(=C4)C)C 1 2.954 3 4 0 -18.8628269313971 20901914 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCC4=CC=C(C=C4)C 1 2.796 3 4 0 -25.8436887240724 20901909 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=NC=CC(=C4)C 1 1.856 4 4 0 -17.5157633285047 20901908 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC(C)C4=CC=CC=C4 1 2.366 3 4 0 -24.978797676397 20901899 CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 2.314 3 5 0 -19.5134143891976 20901898 CC1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 1.78 3 4 0 -26.3255435498937 20901897 CC1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 1.848 3 4 0 -24.0927627996273 20901896 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)C 1 2.475 3 4 0 -25.5864354483736 20901895 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)OC 1 1.972 3 5 0 -25.9994016575177 20901892 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)F 1 2.187 3 4 0 -16.6830572669366 20901890 CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 2.924 3 4 0 -18.5736631641245 20901888 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C 1 2.954 3 4 0 -16.6900409130041 20901884 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4CCCCC4 1 2.264 3 4 0 -23.7207784557831 20901882 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4Cl 1 2.653 3 4 0 -26.9500748788571 20901880 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)Cl 1 2.646 3 4 0 -15.7251936758616 20901879 CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(C3)C)C(=O)C 1 1.655 3 4 0 -28.2817454363162 20901877 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)OC 1 1.965 3 5 0 -18.5303237470235 20901875 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC(=N4)C 1 1.653 4 4 0 -17.809819076691 20901874 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=NC=C(C=C4)C 1 1.856 4 4 0 -20.4770093156447 20901873 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=C(C=CC=N4)C 1 1.856 4 4 0 -18.6724813586612 20901865 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C1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)CS(=O)CC3=CC=C(C=C3)Cl 1 3.779 1 3 -2.34102881936122 20899364 C1=CC(=CC(=C1)Cl)CNC(=O)C2=CC=C(O2)CS(=O)CC3=CC=C(C=C3)Cl 1 4.444 1 3 -0.807542635406902 20899363 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC=C(O3)CS(=O)CC4=CC=C(C=C4)Cl 1 4.236 2 3 4.88240724683781 20899362 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)CS(=O)CC4=CC=C(C=C4)Cl 1 4.015 2 4 3.8962296911796 20899359 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=C(O3)CS(=O)CC4=CC=C(C=C4)Cl 1 4.236 2 3 5.02107292578899 20899358 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(O3)CS(=O)CC4=CC=C(C=C4)Cl 1 3.419 3 3 3.19749801147659 20899356 CN1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)CC3=CC=C(C=C3)Cl 1 2.359 2 3 2.79625474677291 20899355 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=C(O3)CS(=O)CC4=CC=C(C=C4)Cl 1 5.181 2 3 4.32847553714783 20899354 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=C(O3)CS(=O)CC4=CC=C(C=C4)Cl 1 5.003 2 3 3.62830039693022 20899353 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)CS(=O)CC4=CC=C(C=C4)Cl)C 1 5.003 2 3 7.58220999054862 20899351 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(O3)CS(=O)CC4=CC=C(C=C4)Cl 1 4.695 2 3 7.30771772591731 20899350 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(O3)CS(=O)CC4=CC=C(C=C4)Cl 1 4.031 2 3 4.04789270518151 20899349 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)CS(=O)CC4=CC=C(C=C4)Cl 1 4.015 2 4 5.03897941815623 20899347 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)NCC3=CC=C(C=C3)OC(C)C 1 4.311 1 4 -5.24389831892152 20899344 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CC=C3Br 1 4.349 1 3 -3.6181117802443 20899343 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)NC3CCCCC3 1 3.876 1 3 -2.55446184467697 20899335 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CS3 1 3.341 1 3 -6.06129189384903 20899333 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)NCC3=CC(=CC=C3)OC 1 3.585 1 4 -3.76993995591807 20899330 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)NCCC3=CC=CC=C3 1 3.922 1 3 -3.43810994974346 20899326 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.369 1 5 -5.32499396700384 20899321 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.889 1 5 -7.31590340708733 20899320 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)NC3CCCCCC3 1 4.332 1 3 -2.55446184467697 20899316 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.836 2 4 2.07423100059278 20899315 CCN1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)CC3=CC=C(C=C3)C 1 2.529 2 3 -0.632399847264775 20899314 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 4.058 2 3 3.19907423520217 20899312 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.241 3 3 1.37549932088977 20899311 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)N3CCOCC3 1 1.911 1 4 0 -3.35107676845826 20899309 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4CCCCC4 1 4.039 2 3 1.51714914978559 20899308 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.853 2 3 2.22589401459469 20899307 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)OC 1 3.836 2 4 3.21698072756941 20899286 C1CCN(CC1)CCCNC(=O)C2=CC=C(O2)CS(=O)C3=CC=C(C=C3)F 1 2.848 2 3 -3.29758743528515 20899283 C1CN(CCC1NC(=O)C2=CC=C(O2)CS(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4 1 3.424 2 3 1.70739875743263 20899274 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC=C(O3)CS(=O)C4=CC=C(C=C4)F 1 2.212 2 5 0 -0.891946067161004 20899271 CCCN1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)C3=CC=C(C=C3)F 1 2.766 2 3 0.230033068781288 20899267 C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(O3)CS(=O)C4=CC=C(C=C4)F 1 3.751 2 3 1.49391124862339 20894237 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3)C)CC(=O)NC4CCCC4 1 2.695 4 2 -13.0534149393474 20894228 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3)C)CC(=O)NCC4=CC=CC=N4 1 1.941 5 2 0 -17.4403506402101 20893872 CCC(C(=O)N1CCOCC1)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CC(=C4)C 1 2.322 4 3 0 -9.53781672105652 20893868 CC1=CC2=C(C=C1)N3C(=NN(C(=O)C3=C2)CC(=O)N(CC=C)C4=CC=CC=C4)C 1 3.82 4 2 -8.91487390326355 20893852 CCC1=NN(C(=O)C2=CC3=CC=CC=C3N21)CC(=O)N4CCCCCC4 1 3.18 4 2 -8.7942934022152 20893843 COC1=C(C(=C(C=C1)NC(=O)CN2C(=O)C3=CC4=CC=CC=C4N3C=N2)OC)OC 1 2.383 4 5 0 -8.59760214605035 20893832 C1=CC(=CC=C1CCNC(=O)CCCN2C(=O)C3=CC4=C(N3C=N2)C=CO4)S(=O)(=O)N 1 1.43 5 5 0 -21.3679989329363 20893830 CC(CCC1=CC=CC=C1)NC(=O)CCCN2C(=O)C3=CC4=C(N3C=N2)C=CO4 1 3.558 4 3 0 -17.8706055487065 20893827 CC1CCCC(C1C)NC(=O)CCCN2C(=O)C3=CC4=C(N3C=N2)C=CO4 1 3.249 4 3 0 -15.3301806496209 20893826 CC(CNC(=O)CCCN1C(=O)C2=CC3=C(N2C=N1)C=CO3)C4=CC=CC=C4 1 3.044 4 3 0 -17.0343470126294 20893807 C1=CC(=CC(=C1)Cl)CNC(=O)CCCN2C(=O)C3=CC4=C(N3C=N2)C=CO4 1 3.068 4 3 0 -14.3062497120675 20893776 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(CC)C(=O)NCCC4=C(C=C(C=C4)OC)OC 1 3.876 4 5 0 -14.6884393034476 20893774 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(CC)C(=O)NCC4=CC=CS4 1 3.328 4 3 0 -14.0184259817785 20893773 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(CC)C(=O)NCC(C)C4=CC=CC=C4 1 4.228 4 3 0 -11.8370258808295 20893771 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(CC)C(=O)NCC4=CC(=CC=C4)OC 1 3.571 4 4 0 -11.7317393945727 20893769 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(CC)C(=O)NCCCC4=CC=CC=C4 1 4.365 4 3 0 -13.1591631098948 20893761 CCC(C(=O)NCCC1=C(C=C(C=C1)OC)OC)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4 1 3.209 4 5 0 -14.4196908744407 20893757 CCC(C(=O)NCCCN1CCN(CC1)CC)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4 1 1.844 6 3 0 -11.6945751010148 20893755 CCC(C(=O)NCCCN1CCN(CC1)C)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4 1 1.496 6 3 0 -9.6514711869644 20893754 CCC(C(=O)NCC1=CC=CS1)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4 1 2.661 4 3 0 -13.7496775527717 20893748 CCC(C(=O)NCC1=CC=C(C=C1)F)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4 1 3.126 4 3 0 -10.1895486851293 20893740 CCC(C(=O)NCC1=CC=CO1)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4 1 2.102 4 4 0 -13.0549123851371 20893739 CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4 1 3.209 4 5 0 -15.4105380764084 20893737 CCC(C(=O)NC1CCCC1)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4 1 2.739 4 3 0 -11.3339547157831 20893736 CCC(C(=O)NC1CCCCCC1)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4 1 3.652 4 3 0 -11.6884232299512 20893732 CCC(C(=O)NCC1=CN=CC=C1)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4 1 1.77 5 3 0 -13.4243151110038 20893719 CCC(C(=O)N1CCC(CC1)C(=O)N)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4 1 1.017 5 4 0 -10.5002431138917 20893718 CCC(C(=O)N1CCCCCC1)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4 1 2.917 4 3 0 -10.6088246302581 20893701 CCC1=CC(=CC=C1)NC(=O)CCCN2C(=O)C3=CC4=C(N3C(=N2)CC)C=CO4 1 4.085 4 3 0 -11.0490550218762 20893693 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CCCC(=O)NC4=CC(=C(C=C4)C)C 1 4.115 4 3 0 -12.4450661569407 20893690 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CCCC(=O)NC4=C(C=C(C=C4)C)C 1 4.115 4 3 0 -14.9594924392797 20893687 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CCCC(=O)NCC4=CC=CO4 1 2.331 4 4 0 -19.3933764288717 20893686 CCC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=CC4=C(N3C(=N2)CC)C=CO4 1 4.085 4 3 0 -11.9980004359779 20893675 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CCCC(=O)N4CCN(CC4)C5=CC=CC(=C5C)C 1 4.373 5 3 0 -5.71048032830112 20893674 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CCCC(=O)N4CCC(CC4)C 1 2.941 4 3 0 -15.94258155085 20893671 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CCCC(=O)N4CCC(CC4)C(=O)OCC 1 2.448 4 5 0 -16.2101138984792 20893576 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(C)C(=O)NCCN4CCCCCC4 1 2.993 5 3 0 -11.6659708437352 20893570 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(C)C(=O)NCC4=CC(=CC=C4)OC 1 3.048 4 4 0 -11.6759029704872 20893563 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(C)C(=O)NC4CCCCCC4 1 3.795 4 3 0 -11.6952518815675 20893562 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(C)C(=O)NCC4=CC=C(C=C4)Cl 1 3.728 4 3 0 -9.29233902492915 20893557 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(C)C(=O)NCC4=CC(=CC=C4)Cl 1 3.728 4 3 0 -9.13143101662131 20893556 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(C)C(=O)N4CCN(CC4)C5=CC=C(C=C5)OC 1 3.299 5 4 0 -7.44792943764799 20893552 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(C)C(=O)N4CC(CC(C4)C)C 1 3.242 4 3 0 -12.0160857814058 20893539 CC1=NN(C(=O)C2=CC3=C(N12)C=CO3)C(C)C(=O)NC(C)CCC4=CC=CC=C4 1 3.552 4 3 0 -10.2584706705726 20893532 CC1=NN(C(=O)C2=CC3=C(N12)C=CO3)C(C)C(=O)NCC4=CC(=CC=C4)OC 1 2.381 4 4 0 -11.1888552382733 20893531 CC1=NN(C(=O)C2=CC3=C(N12)C=CO3)C(C)C(=O)NCC4=CC=CC=C4OC 1 2.381 4 4 0 -13.154514023512 20893530 CC1=NN(C(=O)C2=CC3=C(N12)C=CO3)C(C)C(=O)NCCC4=CC=CC=C4 1 2.718 4 3 0 -11.4002984121606 20893524 CC1=NN(C(=O)C2=CC3=C(N12)C=CO3)C(C)C(=O)NCC4=CC=C(C=C4)OC 1 2.381 4 4 0 -11.0402561924461 20893522 CC1=NN(C(=O)C2=CC3=C(N12)C=CO3)C(C)C(=O)NCCC4=CC(=C(C=C4)OC)OC 1 2.685 4 5 0 -15.1364023491159 20893520 CC1=NN(C(=O)C2=CC3=C(N12)C=CO3)C(C)C(=O)NCC4=CC=C(C=C4)Cl 1 3.061 4 3 0 -8.80529129271516 20893499 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CC(=O)NCCCN(C)C4CCCCC4 1 3.056 5 3 0 -17.0677297022957 20893492 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CC(=O)NC(C)CCC4=CC=CC=C4 1 3.735 4 3 0 -12.5861699030311 20893475 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CC(=O)N4CCN(CC4)C5=CC=C(C=C5)OC 1 2.815 5 4 0 -6.19568350736535 20893472 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CC(=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 3.037 5 3 0 -5.07084027275596 20893433 CC1=NN(C(=O)C2=CC3=C(N12)C=CO3)CC(=O)N4CCCCCC4 1 1.909 4 3 0 -9.56564709442681 20893460 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CC(=O)N4CCC(CC4)C(=O)N 1 0.676 5 4 0 -9.94411331027438 20893459 CC1CCCC(N1CCCNC(=O)CN2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4)C 1 2.203 5 3 0 -17.5242201556597 20893452 CC1=NN(C(=O)C2=CC3=C(N12)C=CO3)CC(=O)NCC(C)C4=CC=CC=C4 1 2.553 4 3 0 -12.9194268143219 20893445 CC1=NN(C(=O)C2=CC3=C(N12)C=CO3)CC(=O)NCCCC4=CC=CC=C4 1 2.69 4 3 0 -13.6134781470032 20893421 CCCC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NCC4=CC=C(O4)C 1 2.786 5 3 0 -11.966800827461 20893416 CCCC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)OC 1 3.694 6 3 0 -6.89668559654892 20893404 CCCC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC(=CC=C5)OC 1 3.694 6 3 0 -5.75393586957229 20893346 CCCC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)C 1 3.192 5 3 0 -6.98449774742004 20893322 CCCC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NCC4=CC=CO4 1 2.641 5 3 0 -13.8192309188696 20893110 CC1=CC=C(C=C1)NC(=O)C2CCCN2C3=NN4C(=O)C=C(N=C4S3)C 1 2.934 5 2 0 -10.9480919851499 20893103 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC3C(=O)NC4=CC=C(C=C4)C(C)C 1 3.642 5 2 0 -10.4763356941645 20893093 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC3C(=O)NC4=C(C(=CC=C4)Cl)C 1 3.599 5 2 0 -9.05422812658104 20893092 CC1=CC=CC=C1NC(=O)C2CCCN2C3=NN4C(=O)C=C(N=C4S3)C 1 2.934 5 2 0 -12.8748599177069 20893088 CCC1=CC=C(C=C1)NC(=O)C2CCCN2C3=NN4C(=O)C=C(N=C4S3)C 1 3.391 5 2 0 -10.9992335265952 20893081 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC3C(=O)NC4=CC=C(C=C4)OC 1 2.432 5 3 0 -11.1727615999602 20893072 CC1=CC=CC=C1CNC(=O)C2CCCN(C2)C3=NN4C(=O)C=C(N=C4S3)C 1 3.1 5 2 0 -14.603776090964 20893071 CCOC1=CC=CC=C1CNC(=O)C2CCCN(C2)C3=NN4C(=O)C=C(N=C4S3)C 1 2.946 5 3 0 -16.3281834058341 20893070 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCC4=CC=CC=C4Br 1 3.362 5 2 0 -13.6687744946137 20893069 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCC4=CC(=CC=C4)Br 1 3.362 5 2 0 -13.0127120778414 20893067 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCCC4=CC=C(C=C4)SC 1 3.477 5 2 0 -11.3158391012703 20893055 CC1CC(CN(C1)CCCNC(=O)C2CCCN(C2)C3=NN4C(=O)C=C(N=C4S3)C)C 1 2.787 6 2 0 -19.3620889600183 20893047 CCC1CCCCN1CCCNC(=O)C2CCCN(C2)C3=NN4C(=O)C=C(N=C4S3)C 1 3.05 6 2 0 -16.74814221892 20893034 CC1CCCCC1NC(=O)C2CCCN(C2)C3=NN4C(=O)C=C(N=C4S3)C 1 3.208 5 2 0 -13.9803754407705 20893031 CC1CCC(CC1)NC(=O)C2CCCN(C2)C3=NN4C(=O)C=C(N=C4S3)C 1 3.141 5 2 0 -13.7171888365814 20893029 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)F 1 2.82 5 2 0 -12.551825740576 20893028 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCC4=CC=CC=C4OC 1 2.598 5 3 0 -15.7909268062513 20893023 CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C3=NN4C(=O)C=C(N=C4S3)C)C 1 3.579 5 2 0 -6.44770375498704 20893018 CC1=CC(=C(C=C1)C)NC(=O)C2CCCN(C2)C3=NN4C(=O)C=C(N=C4S3)C 1 3.579 5 2 0 -7.34050578060673 20893015 CCOC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NN4C(=O)C=C(N=C4S3)C 1 2.939 5 3 0 -7.19068170686529 20893014 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)OC 1 2.598 5 3 0 -13.6766689751854 20893012 CCC1=CC=CC=C1NC(=O)C2CCCN(C2)C3=NN4C(=O)C=C(N=C4S3)C 1 3.55 5 2 0 -7.4938691761017 20893009 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NC4=C(C=C(C=C4)OC)OC 1 2.574 5 4 0 -9.94224580675891 20893005 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCCC4=CC=C(C=C4)Cl 1 3.6 5 2 0 -11.6989573511533 20893003 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)Cl 1 3.278 5 2 0 -11.4417040754545 20893002 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCC4=CC=CC=C4Cl 1 3.278 5 2 0 -14.6273421965248 20892998 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCC4=CC=CC=C4 1 2.614 5 2 0 -14.0785176708209 20892997 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NC4=CC=C(C=C4)OC 1 2.591 5 3 0 -6.42445855515727 20892993 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCC4=CC(=CC=C4)Cl 1 3.278 5 2 0 -11.140958162925 20892982 CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=NN4C(=O)C=C(N=C4S3)C 1 2.811 5 3 0 -14.5432266579003 20892981 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NCC4=CC(=CC=C4)Br 1 3.227 5 2 0 -11.2277553299077 20892970 CCC(CC1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=NN4C(=O)C=C(N=C4S3)C 1 3.701 5 2 0 -8.08539791679097 20892961 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NCC(C)C4=CC=CC=C4 1 3.119 5 2 0 -12.0041946150502 20892960 CC1CCC(CC1)NC(=O)C2CCN(CC2)C3=NN4C(=O)C=C(N=C4S3)C 1 3.006 5 2 0 -11.9322320886476 20892954 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NC4=C(C(=CC=C4)Cl)C 1 3.623 5 2 0 -2.52096833384429 20892951 CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN4C(=O)C=C(N=C4S3)C 1 2.965 5 2 0 -11.6670426124413 20892950 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)OC 1 2.463 5 3 0 -11.8917122272516 20892949 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NCC4=CC=CO4 1 1.661 5 3 0 -13.6322326926501 20892947 CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)C3=NN4C(=O)C=C(N=C4S3)C)C 1 3.444 5 2 0 -2.77064807707181 20892944 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NCCC4=CC=C(C=C4)Cl 1 3.465 5 2 0 -9.91400060321947 20892938 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NCC4=CC(=CC=C4)Cl 1 3.143 5 2 0 -9.35600141499121 20892934 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=C5 1 2.731 6 2 0 -6.55802435632743 20892933 CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)C3=NN4C(=O)C=C(N=C4S3)C 1 1.778 5 4 0 -14.0770130922823 20892281 C1CCN(C1)CCCNC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CC5=CC(=CC=C5)Cl 1 3.819 5 2 0 -10.1264070205513 20892266 C1CC(OC1)CNC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CC5=CC(=CC=C5)Cl 1 3.516 4 3 0 -14.8691250365494 20892254 C1=CC=C2C(=C1)C3=C(N2CC4=CC(=CC=C4)Cl)C(=O)N(N=C3)CC(=O)NCC5=CC=CC=N5 1 3.805 5 2 0 -12.6593685943897 20892234 C1CC(=O)N(C1)CCCNC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CC5=CC=C(C=C5)Cl 1 2.873 5 3 0 -23.6251381408403 20892215 C1COCCN1CCNC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CC5=CC=CC=C5F 1 2.525 5 3 0 -16.3535998862084 20892204 C1CC(=O)N(C1)CCCNC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CC5=CC=CC=C5F 1 2.415 5 3 0 -27.2373489009733 20892203 C1CC(OC1)CNC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CC5=CC=CC=C5F 1 3.057 4 3 0 -18.5360306156418 20892201 C1CC1NC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CC5=CC=CC=C5F 1 3.188 4 2 -12.4529446527866 20892179 C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C(=O)C4=C(C=N3)C5=CC=CC=C5N4CC6=CC=CC=C6F 1 3.922 6 2 0 -8.35465182223405 20892104 CC1=CC(=C(C(=C1)C)CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)NCCN5CCOCC5)C 1 3.778 5 3 0 -13.1705376462044 20892068 CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)NCCCN5CCCCC5 1 4.584 5 2 0 -11.3895358723909 20892066 CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)NCCN5CCOCC5 1 3.292 5 3 0 -13.5953546447875 20892056 CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)NCCCN5CCCC5=O 1 3.181 5 3 0 -24.4791036595524 20892042 CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)NCC5=CC=CC=N5 1 4.113 5 2 0 -13.5680289320612 20892039 CC1=CC=CC=C1CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)NCCCN5CCN(CC5)C 1 3.138 6 2 0 -12.2360623860351 20892027 CC1=CC=CC=C1CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)NCCCN5CCOCC5 1 2.868 5 3 0 -16.629043687312 20891996 C1CCN(C1)CCCNC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CC5=CC=CC=C5 1 3.155 5 2 0 -12.9863284318896 20891989 C1COCCN1CCNC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CC5=CC=CC=C5 1 2.319 5 3 0 -15.5466157184542 20891971 C1CC(=O)N(C1)CCCNC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CC5=CC=CC=C5 1 2.209 5 3 0 -26.4303647332192 20891966 C1COCCN1CCCNC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CC5=CC=CC=C5 1 2.382 5 3 0 -15.7394031569697 20891930 C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C(=O)C4=C(C=N3)C5=CC=CC=C5N4CC6=CC=CC=C6 1 3.717 6 2 0 -7.54766765447991 20891904 CC1CCCC(N1CCCNC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3C)C 1 2.783 5 2 0 -14.9224484638079 20890968 CCC1=C(C(=CC=C1)CC)NC(=O)C(CC)SC2=NC3=C(N2)C=NC=C3 1 4.807 4 1 -10.0301975421438 20890963 CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)SC2=NC3=C(N2)C=NC=C3 1 4.073 4 1 -10.0982942659081 20890375 CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NCC3=CC=C(C=C3)F 1 1.842 2 4 0 -12.9166601088915 20890374 CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NCC3=CC=CC=C3 1 1.637 2 4 0 -14.6117650361488 20890371 CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NC3=CC=C(C=C3)C(=O)OC 1 1.485 2 6 0 -12.234530965622 20890365 CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NC3=CC=C(C=C3)OC 1 1.613 2 5 0 -9.56232040939407 20890363 CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NC3=C(C=C(C=C3)F)F 1 2.041 2 4 -8.83928656209215 20890362 CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NC3=CC=C(C=C3)Br 1 2.378 2 4 -8.78401525476455 20890360 CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NC3=CC(=CC=C3)Cl 1 2.294 2 4 -6.49787917006926 20890359 CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NC3=CC=C(C=C3)F 1 1.835 2 4 0 -8.43747717478467 20890358 CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NC3=CC(=CC=C3)F 1 1.835 2 4 0 -7.45574276114426 20890357 CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NC3=CC=CC=C3F 1 1.835 2 4 0 -10.572618344276 20890355 CCC1=CC=C(C=C1)NC(=O)CN2C(=O)CC(S(=O)(=O)C3=CC=CC=C32)C 1 2.572 2 4 -9.38879233602901 20890354 CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NC3=C(C=C(C=C3C)C)C 1 3.089 2 4 -10.3744697434236 20890351 CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NC3=C(C=CC(=C3)C)C 1 2.602 2 4 -10.927995883945 20890349 CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NC3=CC=C(C=C3)C 1 2.116 2 4 -9.14935420024993 20890340 C1CS(=O)(=O)C2=CC=CC=C2N(C1=O)CC(=O)NCCC3=CC=CC=C3 1 1.581 2 4 0 -13.2606726052043 20890329 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)CCS(=O)(=O)C3=CC=CC=C32)Cl 1 2.403 2 4 -7.95795942726251 20890326 C1CS(=O)(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC3=CC=C(C=C3)Cl 1 1.917 2 4 0 -6.56781659058442 20890325 C1CS(=O)(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC3=CC=C(C=C3)F 1 1.458 2 4 0 -7.67793825570599 20890324 C1CS(=O)(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC3=CC=CC=C3F 1 1.458 2 4 0 -9.81307942519732 20890322 CCC1=CC=C(C=C1)NC(=O)CN2C(=O)CCS(=O)(=O)C3=CC=CC=C32 1 2.195 2 4 -8.62925341695032 20890317 CC1=C(C(=CC=C1)NC(=O)CN2C(=O)CCS(=O)(=O)C3=CC=CC=C32)C 1 2.225 2 4 -7.48095023578997 20890150 CC1=CC(=NC2=C1N(C(=O)CS2)CC(=O)NC3=C(C=CC(=C3)F)F)C 1 2.588 3 2 -11.5517649596349 20890141 CC1=CC(=NC2=C1N(C(=O)CS2)CC(=O)NC3=CC(=C(C=C3)Br)C)C 1 3.412 3 2 -12.245937316196 20890125 CC1=CC(=NC2=C1N(C(=O)CS2)CC(=O)NC3=CC=C(C=C3)F)C 1 2.383 3 2 -11.2068053712508 20890112 CC1=CC(=NC2=C1N(C(=O)CS2)CC(=O)NC3=CC(=CC=C3)Cl)C 1 2.842 3 2 -9.30965104423229 20890111 CC1=CC(=NC2=C1N(C(=O)CS2)CC(=O)NC3=CC=CC=C3Cl)C 1 2.842 3 2 -11.91801812529 20890108 CC1=CC(=NC2=C1N(C(=O)CS2)CC(=O)NC3=CC(=CC=C3)OC)C 1 2.161 3 3 -12.1147811153942 20889991 C1C(=O)N(C2=C(S1)N=CC=C2)CC(=O)NC3=CC=CC=C3F 1 1.614 3 2 0 -12.5513031256784 20889981 C1C(=O)N(C2=C(S1)N=CC=C2)CC(=O)NC3=CC(=CC=C3)Cl 1 2.073 3 2 -8.54758272195924 20889977 COC1=CC=C(C=C1)NC(=O)CN2C(=O)CSC3=C2C=CC=N3 1 1.392 3 3 0 -11.612023961284 20889883 C1CN(CCC1C(=O)NC2=C(C=C(C=C2)F)F)C3=NC=NC4=C3SC5=CC=CC(=C54)F 1 4.496 4 1 6.34227639910946 20889874 COC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=NC4=C3SC5=CC=CC(=C54)F 1 4.068 4 2 5.56685546385181 20889793 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=C(S4)N5CCOCC5 1 3.701 4 2 -2.11959864999471 20889788 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC4=C(C=C3)N=C(S4)N5CCOCC5 1 3.393 4 2 0.523133448207267 20889772 CC1CCCC(N1CCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCOCC4)C 1 2.766 4 2 -12.6441492063195 20889767 CC1CC(CN(C1)CCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCOCC4)C 1 2.65 4 2 -12.3406813175923 20889759 CCC(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCOCC4 1 3.699 3 2 -6.77953722111491 20889745 COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCOCC4 1 2.46 3 3 -9.95475335186323 20889742 C1COCCN1C2=NC3=C(S2)C=C(C=C3)C(=O)NCCC4=CC=CC=C4 1 2.798 3 2 -7.51742665622821 20889730 C1COCCN1C2=NC3=C(S2)C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)Cl 1 3.462 3 2 -4.88061306086179 20889725 C1COCCN1C2=NC3=C(S2)C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl 1 3.141 3 2 -5.44462261275853 20889696 CCCN1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCC(CC4)C 1 3.405 5 1 -7.42116075770608 20889684 CC1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCCCN4CCCCC4C 1 3.87 4 1 -9.93819401160678 20889682 CCC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCC(CC4)C 1 4.394 4 1 -9.61957589504179 20889681 CC1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCCCN4CCCCC4 1 3.493 4 1 -7.39524822233651 20889622 CCCN1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCCCC4 1 3.153 5 1 -6.01276256369715 20889620 CC1CCCC(N1CCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCCCC4)C 1 3.996 4 1 -11.1091632714716 20889614 CC1CC(CN(C1)CCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCCCC4)C 1 3.879 4 1 -10.7515951948795 20889609 CC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCCCC4 1 3.618 4 1 -8.83969693781402 20889607 CCC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCCCC4 1 4.142 4 1 -7.88867809646107 20889585 COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCCCC4)OC 1 3.994 3 3 -9.66444447047066 20889538 CCN1CCN(CC1)C(=O)C2CCN(CC2)C3=NN=C(S3)N4C(=CC=C4C)C 1 1.747 6 1 0 -5.12459237311004 20889531 CC1=CC=C(N1C2=NN=C(S2)N3CCC(CC3)C(=O)N4CCN(CC4)C)C 1 1.398 6 1 0 -3.51793646965918 20889516 CCCN1CCN(CC1)CCCNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C(=CC=C4C)C 1 2.266 7 1 0 -8.8189496412141 20889513 CCN1CCN(CC1)CCCNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C(=CC=C4C)C 1 1.742 7 1 0 -9.06006523273722 20889512 CC1CC(CN(C1)CCCNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C(=CC=C4C)C)C 1 2.992 6 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1 3.181 2 6 0 -17.4265652617315 20888746 CCS(=O)(=O)C1=NC(=C(S1)N2CC(CC(C2)C)C)S(=O)(=O)C3=CC=C(C=C3)C 1 4.672 2 4 -16.6759745977558 20888745 CCS(=O)(=O)C1=NC(=C(S1)N2CCC(CC2)O)S(=O)(=O)C3=CC=C(C=C3)C 1 2.549 2 5 0 -11.8055932785543 20888744 CCS(=O)(=O)C1=NC(=C(S1)N2CCC(CC2)C)S(=O)(=O)C3=CC=C(C=C3)C 1 4.285 2 4 -15.3804035103882 20888743 CCS(=O)(=O)C1=NC(=C(S1)N2CCCC(C2)C)S(=O)(=O)C3=CC=C(C=C3)C 1 4.353 2 4 -14.6701548131594 20888741 CCS(=O)(=O)C1=NC(=C(S1)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.577 2 4 -13.6175368022112 20888737 CS(=O)(=O)C1=NC(=C(S1)N2CCC(CC2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.42 3 5 0 -8.16791183203038 20888683 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C)N3CCC(CC3)C(=O)N 1 2.242 3 5 0 -9.9899105226172 20888686 CS(=O)(=O)C1=NC(=C(S1)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.319 2 4 -8.64997851668602 20888688 CS(=O)(=O)C1=NC(=C(S1)N2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.863 2 4 -8.64997851668602 20888689 CC1CCCN(C1)C2=C(N=C(S2)S(=O)(=O)C)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.182 2 4 -9.34812801346611 20888691 CS(=O)(=O)C1=NC(=C(S1)N2CCC(CC2)O)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.378 2 5 0 -6.48356647886104 20888693 CS(=O)(=O)C1=NC(=C(S1)N2CCC3(CC2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.01 2 6 0 -12.1045384620383 20888694 CS(=O)(=O)C1=NC(=C(S1)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.633 2 5 0 -10.2390646393988 20888695 CC1CN(CC(O1)C)C2=C(N=C(S2)S(=O)(=O)C)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.388 2 5 0 -12.5469518679969 20888696 CN1CCN(CC1)C2=C(N=C(S2)S(=O)(=O)C)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.903 3 4 0 -5.67057312067237 20888698 CS(=O)(=O)C1=NC(=C(S1)N2CCN(CC2)CCO)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.363 3 5 0 -4.8587085058474 20888735 CS(=O)(=O)C1=NC(=C(S1)NCCCN2CCCC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.308 3 5 0 -22.7417483860235 20888719 CS(=O)(=O)C1=NC(=C(S1)NCCCN2C=CN=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.396 4 4 0 -7.65103820531702 20888715 CS(=O)(=O)C1=NC(=C(S1)NCCCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.481 3 5 0 -11.3540553944311 20888714 CS(=O)(=O)C1=NC(=C(S1)NCCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.418 3 5 0 -11.9976335344664 20888672 CCN1CCN(CC1)C2=C(N=C(S2)S(=O)(=O)C)S(=O)(=O)C3=CC=C(C=C3)C 1 3.073 3 4 0 -9.09922771471005 20888671 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C)N3CCN(CC3)C 1 2.725 3 4 0 -7.49257181125919 20888670 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C)N3CCOCC3 1 2.455 2 5 0 -12.0610633299856 20888669 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C)N3CCC(CC3)O 1 2.2 2 5 0 -8.30556516944786 20888668 CC1CCN(CC1)C2=C(N=C(S2)S(=O)(=O)C)S(=O)(=O)C3=CC=C(C=C3)C 1 3.936 2 4 -11.8803754012818 20888666 CC1CCCCN1C2=C(N=C(S2)S(=O)(=O)C)S(=O)(=O)C3=CC=C(C=C3)C 1 4.062 2 4 -13.2933102761617 20888665 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C)N3CCCCCC3 1 4.141 2 4 -10.4719772072728 20888608 CC1=CC(=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CN=CN2)C 1 0.567 4 3 0 -8.74326936541794 20888595 CC1=C(C=CC(=C1)NC(=O)CN(C)S(=O)(=O)C2=CN=CN2)Br 1 0.829 4 3 0 -5.83281032379415 20888594 CN(CC(=O)NC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CN=CN2 1 -0.438 4 5 0 -11.3110470174718 20888570 CC1=C(C(=NN1CC(=O)NC2=CC3=C(C=C2)N=C4CCCCN4C3=O)C)[N+](=O)[O-] 1 1.355 6 4 0 -16.8555704139544 20888569 CC1=C(C(=NN1CC(=O)NC2=CC3=C(C=C2)N=C4CCCCN4C3=O)[N+](=O)[O-])Br 1 2.36 6 4 0 -17.6702042593847 20888567 C1CCN2C(=NC3=C(C2=O)C=C(C=C3)NC(=O)C4=CC(=CN=C4)Br)C1 1 2.129 4 2 -12.1455958203891 20888451 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)C 1 2.122 2 4 -17.8295285848265 20888316 C1C(OC2=C(N1C(=O)C3=CC=CC=C3)C=C(C=C2)Cl)C(=O)O 1 2.904 1 4 -3.38507324585373 20888306 C1=CN2C3=C(C=C(C=C3)F)N(C(=O)C2=C1)CCCC(=O)O 1 2.414 2 3 -8.26604913434272 20888286 CN1C2=CC=CC=C2C(=C1C(=O)OC)SC3=CC=CC=C3 1 4.594 1 2 -0.451536432815407 20888285 C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC=C3 1 2.613 2 2 -13.5633459509703 20888256 CCN1C2=CC=CC=C2C(=C1C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.366 1 4 -4.82473372292424 20888254 CN1C2=CC=CC=C2C(=C1C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.017 1 4 -4.58737215748998 20888253 COC1=CC2=C(C=C1)C=C(N2CC(=O)C3=CC=CC=C3)C(=O)O 1 3.49 1 4 -2.74525895305545 20888251 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CCCC(=O)O 1 1.958 2 4 0 -25.695139365366 20888250 CCOC(=O)CCCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3 1 2.532 2 4 -28.3396193423747 20888249 CC(C(=O)O)N1C2=CC=CC=C2C(=N1)C3=CC=CC=C3 1 3.592 2 2 0.437128707477862 20888123 CC1=C(SCCO1)C(=O)NC2=CC=CC(=C2)C(=O)NCCC3=CC(=CC=C3)OC 1 2.696 2 4 -13.7005562867298 20888117 CC1=C(SCCO1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC(=C(C(=C3)OC)OC)OC 1 2.342 2 6 0 -20.1483321650517 20888116 CC1=C(SCCO1)C(=O)NC2=CC=CC=C2C(=O)NCCC3=CC(=C(C(=C3)OC)OC)OC 1 2.663 2 6 0 -19.2894058196412 20888101 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N3CCCC3C(=O)N2 1 1.209 3 3 0 -15.7332016251274 20888087 CC1=C(SCCO1)C(=O)NC2=CC=C(C=C2)CC(=O)NCC3=CC=C(C=C3)SC 1 2.968 2 3 -14.369080769026 20888086 CCC1=CC=C(C=C1)CNC(=O)CC2=CC=C(C=C2)NC(=O)C3=C(OCCS3)C 1 3.369 2 3 -17.2303358233817 20888067 CCC1=CC=C(C=C1)CNC(=O)CCCN2C3=C(C=CC=N3)N4C=CC=C4C2=O 1 3.701 4 2 -16.2910196905143 20888066 COC1=CC(=CC(=C1OC)OC)CCNC(=O)CCCN2C3=C(C=CC=N3)N4C=CC=C4C2=O 1 3.031 4 5 0 -19.5856932691089 20888058 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)NCC(C)C3=CC=CC=C3 1 4.241 1 3 -4.0327707293991 20888053 CC1CCCC(C1C)NC(=O)C2=CC=C(O2)CS(=O)CC3=CC=C(C=C3)C 1 4.447 1 3 -2.94542499977146 20888052 CC1CCC(CC1)NC(=O)C2=CC=C(O2)CS(=O)CC3=CC=C(C=C3)C 1 4.128 1 3 -4.79817099078945 20888006 COC1=CC=CC=C1CNC(=O)CN2C3=C(C=CC=N3)N4C=CC=C4C2=O 1 2.173 4 3 0 -14.9156995219568 20887875 CC1=NC2=C(N1C3=C(C=C(C(=C3)OC)C(=O)O)Cl)N=CC=C2 1 2.715 3 3 -4.25198913688556 20887813 CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CSCCO2 1 1.202 1 4 0 -9.9122986541922 20887719 CCC1=NC2=C(N1C3=CC=C(C=C3)C(=O)O)N=CC=C2 1 2.734 3 2 -2.19528524752945 20887718 CCC1=NC2=C(N1C3=CC=C(C=C3)CC(=O)O)N=CC=C2 1 2.768 3 2 -4.1021261157097 20887682 CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC4=C3C(CC5(O4)CCCCC5)O)C 1 4.004 1 6 0 -2.70434500654302 20887672 CC1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC4=C3C(CC5(O4)CCCCC5)O)C 1 4.497 1 4 -2.21851335570667 20887647 CC1=CC2=C(N1C3=CC=C(C=C3)C(=O)O)CCCCC2 1 4.32 1 2 -3.41553151604147 20887603 CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NC3=CC=C(C=C3)C(=O)C 1 2.257 2 4 -12.8277358082817 20887593 CC1CCCC(N1CCCNC(=O)CCCN2C(=O)COC3=C2C=C(C=C3)C)C 1 2.814 3 3 -19.7231729593353 20887584 CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NCCCN3CCCCC3 1 2.059 3 3 -14.5678625471201 20887558 C1=CC=C2C(=C1)C(=O)N(C3=C(S2)N=CC=C3)CCCC(=O)O 1 2.548 2 3 -8.1777699672293 20887557 CC1=C(OC2=C1C3=C(C=C2)OC(CC3O)(C)C)C(=O)O 1 2.412 0 5 -2.40048759773826 20887496 CCC1=C(S(=O)(=O)N=C1N2CCC(CC2)C(=O)NCCCN3CCCCC3C)C4=CC=C(C=C4)C 1 2.916 4 3 0 -10.003757574863 20887458 CC1CCCCN1C(=O)CSC2=NC3=C(N2)C=CC=N3 1 2.034 4 1 -10.5330835305313 20887449 COC1=CC(=C(C=C1)CCNC(=O)CSC2=NC3=C(N2)C=CC=N3)OC 1 2.405 4 3 0 -14.921651756176 20887442 COCCCN(CC1=CC=CO1)C(=O)CSC2=NC3=C(N2)C=CC=N3 1 1.436 4 3 0 -16.3116314587439 20887441 CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(N2)C=CC=N3 1 1.415 4 3 0 -12.7333738799258 20887437 CC1CCN(CC1)C(=O)CSC2=NC3=C(N2)C=CC=N3 1 1.908 4 1 0 -12.2475422290894 20887359 CCC1=NN(C(=O)C2=CC3=CC=CC=C3N21)CC(=O)N4CCC5(CC4)OCCO5 1 1.872 4 4 0 -11.0733137160005 20887350 CC1=NN(C(=O)C2=CC3=CC=CC=C3N12)CC(=O)N4CCC5(CC4)OCCO5 1 1.205 4 4 0 -10.5862659837865 20887348 CC1=NN(C(=O)C2=CC3=CC=CC=C3N12)CC(=O)NCCC4=CC=CS4 1 2.506 4 2 -13.9136632451997 20887335 CCC1=NC2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)OC)N=C1CC 1 4.289 3 2 -9.71759257572071 20887300 CCC1=NNC(=O)C2=CC3=C(N21)C=CC(=C3)OC 1 2.319 3 2 -4.89436191932492 20887241 CCC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)N(CC)C3=CC=CC=C3 1 3.227 3 3 -18.9321596845411 20887211 CCN(C1=CC=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC(=C3)C 1 2.755 3 4 0 -17.44978532782 20886735 C1COCCN1C2=NC3=C(S2)C=C(C=C3)C(=O)NCC4=CC(=CC=C4)F 1 2.682 3 2 -5.99946473625999 20886729 CCOC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCOCC4 1 2.809 3 3 -8.60671867250535 20886727 CC(C)OC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCOCC4 1 3.186 3 3 -9.04168760079598 20886726 CCCOC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCOCC4 1 3.333 3 3 -8.15172988849212 20886725 CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCOCC4 1 2.963 3 2 -8.57930604224212 20886715 CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4CCCCC4 1 3.868 3 2 -2.05879162455254 20886710 CCOC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCOCC4 1 2.809 3 3 -10.492009951446 20886707 CC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4CCCCC4 1 4.022 3 1 1.61536851688839 20886664 CCOC1=C(C=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCCCN4CCCC4=O)Br 1 2.474 4 3 0 -19.1195525387739 20886499 CCC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NN4C(=O)C=C(N=C4S3)C 1 3.556 5 2 0 -13.9198408799272 20886498 CC1=CC(=CC=C1)CNC(=O)C2CCCN(C2)C3=NN4C(=O)C=C(N=C4S3)C 1 3.1 5 2 0 -12.4966976935364 20886483 CN1CCSC2=C1C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)Br)OC 1 3.876 2 2 -11.6075543510441 20886482 CN1CCSC2=C1C=C(C=C2)C(=O)NCC3=CC(=CC=C3)F 1 3.349 2 1 -9.14663970784186 20886481 CC(C)OC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SCCN3C 1 3.854 2 2 -12.1888625723779 20886480 CN1CCSC2=C1C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Br 1 3.892 2 1 -10.4635514992568 20886479 CN1CCSC2=C1C=C(C=C2)C(=O)NCC3=C(C(=CC=C3)OC)OC 1 3.111 2 3 -12.7555397492668 20886472 CCN1CCSC2=C1C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)Br)OC 1 4.225 2 2 -12.0891979134759 20886471 CCCOC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SCCN3CC 1 4.349 2 2 -11.5622491192986 20886470 CCN1CCSC2=C1C=C(C=C2)C(=O)NCC3=CC=CC=C3F 1 3.698 2 1 -12.4933255950493 20886469 CCN1CCSC2=C1C=C(C=C2)C(=O)NCC3=CC=CC=C3C 1 3.979 2 1 -12.2081245762557 20886442 CCOC1=CC=C(C=C1)CNC(=O)CS(=O)(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)OC)C 1 2.505 2 6 0 0.358129989385149 20886440 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)(=O)CC(=O)NCC3=CC(=CC=C3)F 1 2.378 2 5 0 3.25049840105171 20886436 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)(=O)CC(=O)NCC3=CC(=CC=C3)Br 1 2.921 2 5 0 1.93358660963673 20886435 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)(=O)CC(=O)NCC3=C(C(=CC=C3)OC)OC 1 2.139 2 7 0 -0.329466695685443 20886432 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)(=O)CC(=O)NCC3=CC(=CC=C3)F 1 2.88 2 4 3.47516801586205 20886426 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)(=O)CC(=O)NCC3=C(C(=CC=C3)OC)OC 1 2.642 2 6 0 -0.273569929784544 20886169 CC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3N4C=CC=C4C2=O)C 1 3.767 3 2 -9.73602879468003 20886167 COC1=CC=CC(=C1)CNC(=O)CN2C3=CC=CC=C3N4C=CC=C4C2=O 1 2.785 3 3 -11.9719922090822 20886132 COC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC4=C(N3C=N2)C=CO4 1 2.387 4 4 0 -16.7021226201063 20886130 CCC(C(=O)NCCCN1CC(CC(C1)C)C)N2C(=O)C3=CC4=C(N3C=N2)C=CO4 1 3.015 5 3 0 -15.7264610605599 20885987 COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4 1 3.32 3 3 -13.245623127466 20885957 CCN(CC)CCCNC(=O)C1=C(C2=CC=CC=C2N1)SC3=CC=C(C=C3)Cl 1 5.304 3 1 -1.3951245340009 20885890 C1C2=C(CS1(=O)=O)SC(=C2)C(=O)NCC3=CC=CC=C3Cl 1 2.603 1 3 -12.1241677535041 20885696 CC1=NN(C(=O)C2=NC=CN12)CCCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 1.084 5 4 0 -20.1950466745155 20885693 CC1=NN(C(=O)C2=NC=CN12)CCCC(=O)NCCC3=CC=C(C=C3)Cl 1 1.782 5 2 0 -13.9619670464155 20885691 CCC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=NC=CN3C(=N2)C 1 1.738 5 2 0 -17.031657362754 20885689 CC1=NN(C(=O)C2=NC=CN12)CCCC(=O)NCC3=CC=C(C=C3)OC 1 0.78 5 3 0 -16.7884854580122 20885686 CC1=NN(C(=O)C2=NC=CN12)CCCC(=O)NCC3=CC=C(C=C3)F 1 1.002 5 2 0 -15.6636422234028 20885685 CC1=NN(C(=O)C2=NC=CN12)CCCC(=O)NCC3=CC=CC=C3OC 1 0.78 5 3 0 -18.9027432890781 20885679 CC1=NN(C(=O)C2=NC=CN12)CCCC(=O)NCC3=CC=CC=C3Cl 1 1.46 5 2 0 -17.7391586793515 20885677 CC1=NN(C(=O)C2=NC=CN12)CCCC(=O)NCC3=CC=CC=C3 1 0.796 5 2 0 -17.1903341536476 20885676 CC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=NC=CN3C(=N2)C 1 1.282 5 2 0 -16.5638158432018 20885557 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(CC)C(=O)NCC4=C(C(=CC=C4)OC)OC 1 3.555 4 5 0 -13.3510096056331 20885552 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CCCC(=O)NCC4=CC=C(C=C4)OCC 1 3.482 4 4 0 -18.2007798119741 20885549 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CCCC(=O)NCC4=CC=CC=C4C 1 3.635 4 3 0 -18.3916664849181 20885421 COC1=CC=C(C=C1)CNC(=O)CN2C(=O)C(OC3=C2N=CC=C3)C4=CC=CC=C4 1 2.56 3 4 0 -11.2308536685748 20885396 CC1=C2C=NN(C2=CC=C1)C(=O)CCC(=O)NCC3=CC=C(C=C3)F 1 3.162 3 2 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3 -18.2358916878737 20884021 CCN1CCN(CC1)CCCNC(=O)C2CCCN(C2)C3=NC4=C(C=C(C=C4S3)C)C 1 3.292 5 1 -3.67246456663206 20883989 CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)NC4CCCC4)C 1 4.187 3 1 -0.108833445555125 20883947 CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCCN4CCOCC4)C 1 2.476 4 2 -3.5792068796036 20883922 CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCCCN4CCCC4=O)C 1 2.366 4 2 -15.1596873097115 20883846 CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NCCCN4C(CCCC4C)C 1 4.018 4 2 -12.2792736765397 20883843 CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NCCCN4CC(CC(C4)C)C 1 3.902 4 2 -11.9794492266343 20883838 CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NCCCN4CCCCC4 1 3.263 4 2 -7.14117481283076 20883802 CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NC4CCCC4 1 3.547 3 2 -3.79047163078168 20883665 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)N4CCCC4C(=O)N3)OCC 1 3.172 3 4 0 -17.4505054994878 20865391 CCCCN(CC)CCCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3N(C2=O)CC 1 4.189 3 2 -10.856810276495 20865363 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NCCCOCC 1 2.59 2 3 -14.0257458173044 20865361 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NCCC(C)C 1 3.891 2 2 -12.9425789326079 20865332 CCCN(CCC)CCCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3N(C2=O)CC 1 4.256 3 2 -11.0586219995334 20865308 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NCCN(CC)CC 1 3.146 3 2 -9.02409057078234 20865306 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NCCCN(CC)CC 1 3.209 3 2 -10.5821283461386 20865305 CCCCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3N(C2=O)CC 1 3.639 2 2 -11.1687953993513 20865303 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NCCOC 1 2.179 2 3 -12.1025210059281 20883583 CC(C)N(CCCNC(=O)C1CCN(CC1)C(=O)C2=CC3=C(N2C)C=CS3)CC4=CC=CC=C4 1 4.179 4 2 -8.88050938535218 20883579 CCCCN(CCCNC(=O)C1CCN(CC1)C(=O)C2=CC3=C(N2C)C=CS3)CC4=CC=CC=C4 1 4.781 4 2 -9.52556050830576 20883571 CCN(CCCNC(=O)C1CCN(CC1)C(=O)C2=CC3=C(N2C)C=CS3)CC4=CC=CC=C4 1 3.801 4 2 -8.78610327233497 20883501 CCN1C2=C(C=C1C(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)OC)SC=C2 1 3.584 3 3 -10.4184189574344 20883462 CN1C2=C(C=C1C(=O)N3CCCC(C3)C(=O)NCC4=CC=CC=C4)SC=C2 1 3.386 3 2 -9.76206374615585 20865042 COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.186 4 4 0 0.31327264269272 20865041 COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.494 4 4 0 -14.0419142468676 20865040 COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br 1 3.242 4 4 0 -12.6831714356212 20865014 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC=C4OC 1 2.98 4 4 0 -18.0632857088872 20864976 COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.186 4 4 0 -1.72918954496985 20864975 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)OC 1 2.98 4 4 0 -15.188366795294 20864974 COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.494 4 4 0 -16.0843764345301 20864951 CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC 1 2.98 4 4 0 -15.188366795294 20864932 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC=C4 1 3.704 4 3 0 -14.9664573058134 20864866 C1=CC(=CC=C1C(=O)C2=CC3=C(C=C(C=C3)O)OC2=O)F 1 3.227 0 4 -2.95652159855029 20864865 C1=CC(=CC=C1C(=O)C2=CC3=C(C=C(C=C3)O)OC2=O)Br 1 3.77 0 4 -3.30305967853016 20864864 CCC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C(C=C3)O)OC2=O 1 3.964 0 4 -3.90783675979462 20864771 CC(C)C1=C(C(=NO1)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 2.434 3 6 0 -8.86852862354589 20864781 CC(C)C1=C(C(=NO1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)[N+](=O)[O-] 1 3.13 4 4 0 -2.43497742217912 20864782 CC(C)C1=C(C(=NO1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC)[N+](=O)[O-] 1 2.908 4 5 0 -5.34081857126256 20864789 CC(C)C1=C(C(=NO1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] 1 2.961 3 6 0 -13.0278769552921 20864801 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)C3=NOC(=C3[N+](=O)[O-])C(C)C 1 3.992 5 4 0 -8.52692243964245 20864796 CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=NOC(=C3[N+](=O)[O-])C(C)C 1 3.386 5 4 0 -11.3033264513784 20864791 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=NOC(=C3[N+](=O)[O-])C(C)C 1 4.075 4 4 0 -1.13826054767659 20864790 CC(C)C1=C(C(=NO1)C(=O)N2CCC3(CC2)OCCO3)[N+](=O)[O-] 1 1.36 3 6 0 -9.77128620686731 20864755 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=NOC(=C3[N+](=O)[O-])C 1 2.946 4 4 0 -1.50411884227463 20864754 CC1=C(C(=NO1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-] 1 2.823 3 4 0 -3.59230442811322 20864751 CC1=C(C(=NO1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] 1 1.832 3 6 0 -13.2054386555564 20864744 CC1=C(C(=NO1)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-] 1 1.865 3 4 0 -9.60917262282278 20864743 CC1=C(C(=NO1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC)[N+](=O)[O-] 1 1.779 4 5 0 -5.5183802715268 20864742 CC1=C(C(=NO1)C(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-] 1 1.795 4 4 0 -3.58571934305084 20864741 CC1=C(C(=NO1)C(=O)NC2CCCCC2)[N+](=O)[O-] 1 1.818 3 4 0 -8.3256786673786 20864730 CC1=C(C(=NO1)C(=O)NC2=C(C=CC(=C2)Cl)OC)[N+](=O)[O-] 1 2.185 3 5 0 -6.38040035172153 20864729 CC1=C(C(=NO1)C(=O)NC2=CC(=C(C=C2OC)Cl)OC)[N+](=O)[O-] 1 2.168 3 6 0 -12.069345536827 20864728 CC1=C(C(=NO1)C(=O)NC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] 1 1.504 3 6 0 -11.4196395075812 20864727 CC1=C(C(=NO1)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 1.305 3 6 0 -9.04609032381012 20864726 CC1=C(C(=NO1)C(=O)NC2=CC=CC=C2SC)[N+](=O)[O-] 1 2.079 3 4 0 -11.6319978453616 20864725 CC1=C(C(=NO1)C(=O)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-] 1 2.479 3 4 0 -6.86069663033553 20864724 CC1=C(C(=NO1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-] 1 2.479 3 4 0 -1.72370816892351 20864723 CC1=C(C(=NO1)C(=O)NC2=CC=C(C=C2)C(=O)C)[N+](=O)[O-] 1 1.277 3 5 0 -9.80420328934492 20864499 CC1=C(C=CC(=C1)S(=O)(=O)C2=CC3=C(C(=C(C=C3)O)C)OC2=O)F 1 3.642 0 5 -2.29561400881319 20864498 CC1=C(C=CC2=C1OC(=O)C(=C2)S(=O)(=O)C3=CC=CC=C3)O 1 2.95 0 5 -2.19038194531557 20864330 CCOC1=CC=CC=C1N(C)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCC(=O)O 1 2.102 2 6 0 -26.9232703344107 20864329 C1CN(C2=C1C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)Cl)C(=O)CCC(=O)O 1 2.235 2 5 0 -16.4280251528679 20864328 CC1=CC(=CC=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCC(=O)O 1 2.378 2 5 0 -18.6044458261033 20864322 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCC(=O)O)Cl 1 2.714 2 5 0 -17.2740078235702 20864321 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCC(=O)O 1 2.05 2 5 0 -15.8182181241498 20864309 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCC(=O)O)C 1 1.749 2 5 0 -30.135999940519 20864292 CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCC(=O)O 1 2.506 2 5 0 -17.7852502590685 20864289 C1CN(C2=C1C=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)Cl)C(=O)CCC(=O)O 1 2.556 2 5 0 -17.9017106005371 20864281 COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCC(=O)O)OC 1 1.531 2 7 0 -23.0359824265118 20864220 CCC(C)NC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 2.807 3 5 0 -19.9851891348298 20862775 CC(C)CCNC(=O)[C@H](CC1=CC=CC=C1)N2CC3=CC=CC=C3C2=O 1 3.677 2 2 -14.1456729948221 20862681 COC1=C(C=C(C=C1)Br)CN2C(=C(N=N2)C(=O)NC3=CC4=C(C=C3)OCCO4)N 1 2.704 5 4 0 -18.4432938303912 20862668 COC1=C(C=C(C=C1)CN2C(=C(N=N2)C(=O)NC3=CC4=C(C=C3)OCCO4)N)Br 1 2.704 5 4 0 -19.6046895787386 20862479 CC1CCCCC1NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.63 3 4 0 -24.1830776062324 20862477 CC1CCC(CC1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.562 3 4 0 -23.3923822447244 20862472 CC(=O)C1=CC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 0.769 3 5 0 -20.9302502293829 20862406 COC(=O)CNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.528 4 5 0 -20.31814065217 20862411 CCN(CC)C(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.724 4 3 0 -17.3405074300018 20862414 CCCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.149 4 3 0 -20.6949320900847 20862417 CC1CCN(CC1)CCCNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC4=NSN=C43 1 3.191 5 3 0 -21.0663955042704 20862418 C1CCN(CC1)CCCNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC4=NSN=C43 1 2.939 5 3 0 -18.3889204320468 20862426 CC1CCCN(C1)CCCNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC4=NSN=C43 1 3.258 5 3 0 -19.2310138089495 20862394 CC(C)OCCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.478 4 4 0 -23.3021784174968 20862379 CCC(C)(C)NC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.275 4 3 0 -17.5655251537423 20862374 COCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.69 4 4 0 -21.4103583934544 20862343 CCOC(=O)CNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.876 4 5 0 -20.2183646846925 20862337 CCCN(CCC)C(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.771 4 3 0 -17.286768849215 20862324 CC(C)(C)NC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.752 4 3 0 -18.7132836738738 20862305 CN(C1=C(C=C(C=C1)OC)OC)C(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.48 4 5 0 -11.6779555398304 20862304 CN(C1=CC=C(C=C1)OC)C(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.497 4 4 0 -10.2767469550368 20862297 COC1=CC=CC=C1NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.291 4 4 0 -13.679632514794 20862287 C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 1.341 5 5 0 -18.1500508029222 20862285 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCN3S(=O)(=O)C4=CC=CC5=NSN=C54 1 2.55 5 4 0 -8.73158403542792 20862274 C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 2.772 5 3 0 -7.60674080081853 20862271 C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCC4=CC=C(C=C4)F 1 2.52 4 3 0 -13.131109295305 20862263 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCN3S(=O)(=O)C4=CC=CC5=NSN=C54 1 2.306 5 4 0 -12.0333003570805 20862259 CC(C1=CC=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.692 4 3 0 -14.0764523310479 20862258 COC1=CC(=C(C=C1)OC)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.275 4 5 0 -12.711833966228 20862245 C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)N4CCN(CC4)C5=CC=CC=C5 1 2.566 5 3 0 -8.6773152479508 20862239 C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NC4=CC=CC=C4F 1 2.513 4 3 0 -11.4027689142524 20862237 COC1=C(C=C(C=C1)CCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43)OC 1 2.603 4 5 0 -18.5113205339822 20862235 COC1=CC(=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43)OC 1 2.275 4 5 0 -14.619201844895 20862225 C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NC4=CC=CC=C4Br 1 3.056 4 3 0 -11.6281588001453 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3.565 2 3 12.272934124785 20860411 CCN1CCN(CC1)C(=O)CS(=O)CC2=C(OC(=N2)C3=CC(=CC=C3)C)C 1 1.507 3 3 0 13.1093560247221 20860410 CC1CC(CN(C1)C(=O)CS(=O)CC2=C(OC(=N2)C3=CC(=CC=C3)C)C)C 1 2.757 2 3 10.0233638272166 20860403 CC1CCCCN1CCNC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=CC=C3F)C 1 2.148 3 3 3.08235500513862 20860401 CC1=C(N=C(O1)C2=CC=CC=C2F)CS(=O)CC(=O)NC3CCCCC3 1 2.573 2 3 6.12702226369642 20860398 CC1=C(N=C(O1)C2=CC=CC=C2F)CS(=O)CC(=O)NCC3=CC=C(C=C3)F 1 2.504 2 3 5.54352213178081 20860397 CC1=CC=C(C=C1)CCNC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=CC=C3F)C 1 3.106 2 3 5.75838008023548 20860396 CC1=C(N=C(O1)C2=CC=CC=C2F)CS(=O)CC(=O)NC3CC3 1 1.204 2 3 0 5.96788459769735 20860395 CC1=CC=C(C=C1)CNC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=CC=C3F)C 1 2.784 2 3 5.16682656836974 20860394 CC1=C(N=C(O1)C2=CC=CC=C2F)CS(=O)CC(=O)NC3CCCC3 1 2.117 2 3 6.4814907778645 20860393 CC1=C(N=C(O1)C2=CC=CC=C2F)CS(=O)CC(=O)NCC3=CC=C(C=C3)Cl 1 2.963 2 3 7.17712185329036 20860391 CC1=C(N=C(O1)C2=CC=CC=C2F)CS(=O)CC(=O)NCC3=CC=CC=C3 1 2.298 2 3 4.37189526091154 20860385 CCOC1=C(C=C(C=C1)CCNC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)OC)C)OCC 1 3.062 2 6 0 1.71882216870802 20860383 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)CC(=O)NC3CCCCC3 1 2.351 2 4 7.50051507818471 20860379 CC1CCCC(C1C)NC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)OC)C 1 2.922 2 4 6.59324885234545 20860378 CC1CCCCC1NC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)OC)C 1 2.67 2 4 4.4661105705643 20860377 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)CC(=O)NCC3=CC=C(C=C3)F 1 2.282 2 4 7.44049300265708 20860372 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.365 2 6 0 3.07786140045383 20860371 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)CC(=O)NC3CCCC3 1 1.895 2 4 0 7.85498359235279 20860370 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)CC(=O)NC3CCCCCC3 1 2.807 2 4 7.50051507818471 20860364 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)CC(=O)N3CCN(CC3)C 1 0.656 3 4 0 11.5852459830324 20860322 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)NCC3CCCO3 1 2.466 2 3 -4.69376285904145 20860315 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)NC3CCCC3 1 3.509 2 2 0.610163243625582 20860277 CC1CCC(CC1)NC(=O)CSCC2=C(OC(=N2)C3=CC=CC=C3F)C 1 3.937 2 2 -3.58617684595361 20860271 CC1=C(N=C(O1)C2=CC=CC=C2F)CSCC(=O)NC3CC3 1 2.316 2 2 -1.5016053658402 20860266 CC1=C(N=C(O1)C2=CC=CC=C2F)CSCC(=O)NC3CCCC3 1 3.229 2 2 -0.987999185673044 20860202 CC1=C(N=C(O1)C2=CC=C(C=C2)SC)CSCC(=O)NCCCN3CCCC3=O 1 1.879 3 3 0 -11.4172817964809 20860198 CC1=C(N=C(O1)C2=CC=C(C=C2)SC)CSCC(=O)NC3CC3 1 2.653 2 2 2.77108782669349 20860090 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CSCC(=O)NCCCN3CCCC3=O 1 1.304 3 5 0 -17.9909386108012 20860089 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CSCC(=O)NC3CC3 1 2.078 2 4 -3.80256898762682 20860084 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CSCC(=O)NC3CCCC3 1 2.99 2 4 -3.28896280745966 20860038 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CSCC(=O)NCCCN3CCCC3=O 1 1.321 3 4 0 -14.3164821745263 20859936 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CN3CCCC(C3)C(=O)NC4CC4 1 3.055 3 2 14.6921727341042 20859895 CC1CC(CN(C1)CCCNC(=O)C2CCN(CC2)CC3=C(OC(=N3)C4=CC(=CC=C4)Cl)C)C 1 4.188 4 2 7.25151703823074 20859884 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3CCC(CC3)C(=O)NC4CC4 1 2.92 3 2 15.2783257692804 20859881 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3CCC(CC3)C(=O)NC4CCCC4 1 3.833 3 2 15.7919319494476 20859848 CC1CCCN(C1)CCCNC(=O)C2CCN(CC2)CC3=C(OC(=N3)C4=CC=CC=C4C)C 1 3.69 4 2 7.08211714178564 20859847 CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)NC4CCCCC4 1 4.111 3 2 11.3454117491851 20859846 CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)NCCN4CCOCC4 1 2.079 4 3 0 5.71839174629176 20859842 CC1CCC(CC1)NC(=O)C2CCN(CC2)CC3=C(OC(=N3)C4=CC=CC=C4C)C 1 4.363 3 2 9.10170260307265 20859840 CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)NC4CC4 1 2.742 3 2 11.1862740831861 20859827 CC1CCCN(C1)CCCNC(=O)C2CCN(CC2)CC3=C(OC(=N3)C4=CC=C(C=C4)Cl)C 1 3.868 4 2 9.71132594118305 20859824 CC1CC(CN(C1)CCCNC(=O)C2CCN(CC2)CC3=C(OC(=N3)C4=CC=C(C=C4)Cl)C)C 1 4.188 4 2 5.78867415153383 20859819 CCC1CCCCN1CCCNC(=O)C2CCN(CC2)CC3=C(OC(=N3)C4=CC=C(C=C4)Cl)C 1 4.45 4 2 8.75405820799626 20859813 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CN3CCC(CC3)C(=O)NCCN4CCOCC4 1 2.257 4 3 0 8.34760054568918 20859805 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CN3CCC(CC3)C(=O)NCC4CCCO4 1 2.79 3 3 7.97629872165563 20859779 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CN3CCC(CC3)C(=O)NCC4CCCO4 1 2.092 3 5 0 2.06687738564976 20859777 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CN3CCC(CC3)C(=O)NC4CC4 1 2.223 3 4 0 7.90606154657762 20859774 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CN3CCC(CC3)C(=O)NC4CCCC4 1 3.136 3 4 0 8.41966772674477 20859769 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CN3CCC(CC3)C(=O)N4CCOCC4 1 1.627 3 5 0 6.01873235623669 20859762 CN(CCC1=CC=CC=C1)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 4.993 2 4 -8.46854710075275 20859761 CC(C)N(CCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=C(C=CC=C2Cl)Cl)CC3=CC=CC=C3 1 5.398 2 4 -8.42373911692462 20859759 CCCCN(CCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=C(C=CC=C2Cl)Cl)CC3=CC=CC=C3 1 6.062 2 4 -10.8709516181572 20859757 CCCN(CCC)CCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=C(C=CC=C2Cl)Cl 1 4.895 2 4 -12.6987635664257 20859756 C1CCN(C1)CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 3.611 2 4 -10.1484567940375 20859755 CCCCN(CC)CCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=C(C=CC=C2Cl)Cl 1 4.828 2 4 -12.4969518433872 20859733 CC(C)OCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 3.22 1 5 -14.8248655389637 20859732 COCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 2.494 1 5 -13.5666576907749 20859731 CCOCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 2.843 1 5 -15.0745696295047 20859726 COCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 2.432 1 5 -12.9330455149213 20859715 CCCCSCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC=C2OC 1 3.609 1 5 -18.4201100099443 20859714 COC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F 1 3.64 3 5 0 -9.9696728442383 20859713 CCC1CCCCN1CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3OC 1 3.623 2 5 0 -16.3433079778947 20859711 CCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC=C2OC 1 2.933 1 5 -16.4948777716571 20859709 COCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC=C2OC 1 1.535 1 6 0 -17.6751434019711 20859706 COCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC=C2OC 1 1.473 1 6 0 -17.0415312261174 20859701 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3OC 1 3.674 1 5 -14.1275566311682 20859700 COC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CO3 1 2.369 1 6 0 -16.1658232714411 20859699 CCN(CC)CCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC=C2OC 1 2.503 2 5 0 -15.9082107184445 20859695 COC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CC=C3 1 3.187 1 5 -15.1107845329602 20859686 CCC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCC3 1 3.965 1 4 -12.0374146398874 20859680 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCCN(CC3=CC=CC=C3)C(C)C 1 4.555 2 4 -11.4213730407679 20859676 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCCN(CC(C)C)CC(C)C 1 4.629 2 4 -13.9874552779024 20859674 CC1CCCN(C1)CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3C 1 3.544 2 4 -14.2017480300342 20859673 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCCN(C)CC3=CC=CC=C3 1 3.829 2 4 -9.87842005076802 20859670 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCCCN3CCCC3 1 2.769 2 4 -13.0750719473932 20859669 CCCCN(CC)CCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC=C2C 1 3.985 2 4 -15.4235669967429 20859667 CCC1CCCCN1CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3C 1 4.126 2 4 -15.5839823258368 20859663 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCCCOC 1 2.038 1 5 -17.0845905988226 20859658 CC1CCCCC1NC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3C 1 4.284 1 4 -15.227754208991 20859657 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCCOC 1 1.976 1 5 0 -16.4509784229689 20859656 CC1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3C 1 4.497 1 4 -12.8316100132395 20859652 CCN(CC)CCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC=C2C 1 2.943 2 4 -13.5908472910303 20859650 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CO3 1 2.872 1 5 -15.4064976193832 20859647 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCCCC3 1 4.421 1 4 -12.7096527721153 20859643 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CC=C3 1 3.69 1 4 -14.3514588809022 20859641 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 4.147 2 4 -7.26319536819975 20859640 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.925 2 5 0 -8.08095992684555 20859630 CCCCSCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=C(C=C2)OC 1 3.609 1 5 -17.2676020856298 20859627 CC1CCC(CC1)NC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)OC 1 3.714 1 5 -14.5601796459712 20859626 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CC=C3OC 1 3.171 1 6 0 -15.3334998981542 20859623 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)OC 1 3.674 1 5 -12.9750487068536 20859622 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCCCC3 1 3.918 1 5 -12.3164704998587 20859619 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CC=C3 1 3.187 1 5 -13.7898636116332 20859616 CC1CC(CN(C1)C(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)OC)C 1 3.366 1 5 -14.6626170146508 20859613 CN(CCC1=CC=CC=C1)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br 1 4.412 2 4 -10.1262806006975 20859609 CCC1CCCCN1CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br 1 4.388 2 4 -14.4124948989507 20859597 C1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br 1 3.952 1 4 -13.0115584570037 20859591 CCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=C(C=C2)C 1 3.435 1 4 -14.9294036381984 20859590 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NCCC3=CC=CC=C3 1 4.011 1 4 -12.6519798422845 20859588 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CC=C3OC 1 3.674 1 5 -15.0893065379195 20859584 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCC3 1 3.509 1 4 -11.5490357765465 20859582 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCCCC3 1 4.421 1 4 -11.9035042907146 20859572 COC1=CC=CC=C1CNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3 1 3.187 1 5 -16.1537291741681 20859570 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3 1 3.69 1 4 -13.4580921369456 20859568 C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CC=C3Cl 1 3.868 1 4 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CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.129 3 5 0 -15.0891328916251 20853154 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCC3=CC(=CC=C3)OC 1 2.086 2 4 -11.2452804618804 20853151 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C 1 2.094 3 4 0 -22.1354368842507 20853143 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC3=CC=C(C=C3)Cl 1 3.088 2 3 -10.3354019639915 20851876 CC1=CC(=C(C=C1)NC(=O)CCC2=NC(=NO2)C3=CC=CS3)Br 1 3.669 3 2 -12.2220336146296 20851863 CC12CC(C3=C(O1)C=CC(=C3)Br)NC(=O)N2C4=CC=CC(=C4)C(=O)N5CCN(CC5)C6=CC=CC=N6 1 3.959 5 3 0 -5.74707547935633 20851847 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)NC4CC3(OC5=C4C=C(C=C5)C)C 1 3.356 3 5 0 -12.8114832046549 20851843 CC1=CC2=C(C=C1)OC3(CC2NC(=O)N3C4=CC=CC(=C4)C(=O)NC5CCN(CC5)CC6=CC=CC=C6)C 1 4.168 4 3 0 -7.35406861120275 20851839 CC1=CC2=C(C=C1)OC3(CC2NC(=O)N3C4=CC=CC(=C4)C(=O)N5CCN(CC5)C6=CC=CC=N6)C 1 3.697 5 3 0 -6.57565653686647 20851830 CC1=CC2=C(C=C1)OC3(CC2NC(=O)N3C4=CC=CC(=C4)C(=O)NCC5=CC=CC=N5)C 1 3.121 4 3 0 -14.3599129252002 20851792 CC12CC(C3=CC=CC=C3O1)NC(=O)N2C4=CC=CC(=C4)C(=O)N5CCCCC5 1 3.11 3 3 -10.403550102445 20851787 CC12CC(C3=CC=CC=C3O1)NC(=O)N2C4=CC=CC(=C4)C(=O)NCC5=CC=CC=N5 1 2.635 4 3 0 -15.1979398482187 20851707 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.418 3 5 0 -18.7277430036264 20851694 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C 1 3.794 3 3 -20.8403845059248 20851693 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C 1 3.616 3 3 -23.5298739092862 20851690 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.644 3 3 -22.7776943001918 20851682 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4Cl 1 3.308 3 3 -22.0012517998739 20851645 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)OC 1 1.053 3 6 0 -15.2635920971411 20851639 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C 1 2.609 3 3 -7.66240840863467 20851638 CCC1=CC=C(C=C1)NS(=O)(=O)C2=C(ON=C2C)C 1 2.142 2 3 -2.82084839891475 20851631 CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(NN=C3C)C)C 1 2.048 4 3 0 -12.3688048421902 20851628 CC1=C(C(=NN1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)F 1 1.281 4 3 0 -8.26508632868216 20851621 C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CN=CC=C3 1 1.724 3 3 0 -19.0133841896528 20851602 CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3 1 1.546 3 3 0 -20.8353828802396 20851600 COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3 1 1.043 3 4 0 -21.2483490893838 20851593 CC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3 1 0.793 3 4 0 -17.2978549910081 20851422 CC(C)OCCCNC(=O)CN1CCN(C1=O)CC2=CC=C(C=C2)Cl 1 1.565 3 3 0 -17.4165817832843 20851421 CCOCCCNC(=O)CN1CCN(C1=O)CC2=CC=C(C=C2)Cl 1 1.188 3 3 0 -17.6662858738253 20851311 CCC1=NC2=C(C=CC(=C2)C(=O)N3CCC4(CC3)OCCO4)SC5=C1C=C(C=C5)Br 1 4.589 2 3 -8.89563226257632 20851309 CCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)SC4=C1C=C(C=C4)Br 1 4.145 3 2 -11.3049633589522 20851287 CCCC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)SC5=C1C=C(C=C5)C 1 5.736 4 1 -3.62961329576026 20851280 CCCC1=NC2=C(C=CC(=C2)C(=O)N3CCCC3)SC4=C1C=C(C=C4)C 1 5.179 2 1 -6.43342442116462 20851268 CCCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)SC4=C1C=C(C=C4)C 1 4.339 3 2 -11.4762443454939 20848883 CN(C)CCN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O.Cl Cl- 1 -3.56 9 4 0 -26.8119688768839 20848000 C1=CC=C(C=C1)C(C2=CC=NC=C2)N.Cl Cl- 1 1.397 2 0 0 -2.3416258542106 20847974 C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)N.Cl Cl- 1 2.684 3 0 2.56870174500592 20842956 C1=CC(=CC=C1CNS(=O)(=O)C2=CSC(=C2)C(=O)N)F 1 1.485 2 3 0 -2.89655937408566 20840395 CN(C)CC/C=C\1/C2=C(C=CC(=C2)F)SC3=C1C=C(C=C3)Cl.Cl Cl- 1 5.329 1 0 6.73514733624955 20832411 C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC(=C(C=C3)OC)OC.[I-] I- 1 4.879 1 2 1.82334659182037 20807188 C1=CC=NC(=C1)CNS(=O)(=O)C(F)(F)F 1 1.948 2 2 0 -3.40072902204556 21966304 CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O.O.Cl Cl- H2O 1 -3.151 9 24 0 -34.8886487707659 21952753 CC1=CC=CC2=C1NC3=C2CNCC3.Cl Cl- 1 2.227 2 0 1.60504804039517 21803016 C1=CC=C(C(=C1)CNCCO)[N+](=O)[O-] 1 0.722 2 3 0 -0.860367395152362 21630900 C[C@@H]1C[C@@H](CC([C@]1(/C=C/[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)(C)C)O 1 -0.41 0 8 0 -14.1217787166475 21617312 C1=CC=C(C=C1)OS(=O)(=O)NC(=O)N 1 0.347 2 4 0 -5.85614766990307 21577089 C1=CC=C(C(=C1)CC(=O)C2=C(OC3=CC=CC=C32)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O 1 0.778 1 8 0 -11.7326331338751 21572796 C1C[C@H](N(C1)C(=O)[C@@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N 1 -2.528 6 4 0 -17.6915298116479 20305046 CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC(=C(C=C4)F)F 1 3.784 2 2 2.85548938390437 21383173 C1=CC=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=C(C=C3)Cl)CCC(=O)O 1 4.231 2 3 -7.57838006821656 21257102 C1CCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)F 1 3.407 0 2 -3.66056190097519 21239841 C1=CC2C3C(C1C4C2C(=O)N(C4=O)CC(=O)O)C(=O)N(C3=O)CC(=O)O 1 -2.329 2 8 0 -10.4377400258489 21231172 CC1=CC2=C(C=C1)N/C(=C(/C=C\3/C=CC(=O)C(=C3)O)\C#N)/N2 1 2.591 3 2 -6.20192404562312 21230682 CCOCCN1C(=C(C2=C1C3=CC=CC=C3C(=C2)O)C(=O)OCC)C 1 3.563 1 4 -8.88506955042107 21230364 CC1=NN=C(N1N)NN/C=C/2\C=CC=C(C2=O)OC.Cl Cl- 1 -1.503 6 2 0 -7.10033007765908 21230327 COC1=C/C(=C/C2=C(NOC2=O)C3=CC=CC=C3)/C=C(C1=O)Br 1 1.954 1 4 0 1.71523556581149 21230326 CCOC1=C/C(=C/C2=C(NOC2=O)C3=CC=CC=C3)/C=C(C1=O)Br 1 2.303 1 4 -1.16050804938294 21230167 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)N4CCOCC4 1 0.883 5 4 0 -23.8255142669594 21229527 C1=CC(=CC=C1/C=C\2/C(=O)N=C(S2)N)OCC(=O)O 1 1.462 2 4 0 -8.29644495423871 21214068 CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Br)C=C3C=C(C(=O)C(=C3)OC)OC 1 2.025 2 4 -2.38092445977424e-002 21213196 CS(=O)(=O)N(CC(=O)O)C1=C(C=CC(=C1)C(F)(F)F)Cl 1 2.035 1 4 -6.4655967534268 21211963 CC1=CC(=NC=C1)NC(=O)C2=C(C3=CC=CC=C3O2)C 1 3.57 2 2 4.19727765173374 21211451 CC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NN/C=C/3\C=CC=C(C3=O)OC 1 0.81 4 3 0 -3.40703101861891 21208677 C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=C(C=CC=C4Cl)Cl)C(=O)O 1 5.377 3 4 0 -13.6912037057167 21208580 CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=NC)S2)C)Cl)OC(=O)C 1 3.173 2 4 -9.30538198527686 21203535 C1=CC=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Cl.[Br-] Br- 1 4.146 2 2 -7.56776051176394 21203510 CC1=CC(=O)N=C(N1)NN/C=C\2/C=CC(=O)C(=C2)O 1 -0.807 4 3 0 -7.17709755955359 21203147 CCOC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCO.[Br-] Br- 1 1.691 2 4 0 -9.80005634643792 21153533 CCNC(=O)NC1C2=CC=CC=C2CSC3=CC=CC=C13.O H2O 1 3.209 2 1 -7.60672627482208 21152150 CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=CC(=C(C=C24)Cl)F.CS(=O)(=O)O.O H2O CS(=O)(=O)O 1 5.158 2 0 7.08142416615681 21151824 CN1CCN(CC1)C2CC3=C(C=C(C=C3)Cl)SC4=C2C=C(C=C4)F.CS(=O)(=O)O CS(=O)(=O)O 1 4.952 2 0 8.39203242613618 21148461 C[C@@H]1[C@@H]2CC(=O)O[C@H]3[C@@]2(C(=C(C1=O)O)[C@@](C3)(C)[C@@H]4C(=CC(=O)O4)C)CO 1 0.614 0 7 0 -4.91396665810665 21144203 CC1=C(C=[N+](C=C1)CCC2=CC=CC=C2)C.[Br-] Br- 1 4.311 1 0 2.92937377970289 21114905 CCCN1CCC[C@H]2[C@H]1CC3=CN=C(N=C3C2)N.Cl Cl- 1 2.023 4 0 1.46307706836854 21106175 CC1=C(C=C(C(=C1)C=O)O)O 1 1.591 0 3 0 4.14720548506775 21039698 CC1=CC(=O)N2C(=N1)N=C(N2)SCC3=C(C=CC=C3Cl)F 1 2.817 4 1 -9.84091795435725 20995057 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NCCCN3CCOCC3.Cl Cl- 1 2.227 3 4 0 -20.9201362805941 20994488 CCC1=CC=C(C=C1)C2=CSC3=NCCN23.Br Br- 1 2.772 2 0 -0.240625212996746 20994485 C1CN2C(=CSC2=N1)C3=C(C=C(C=C3)Cl)Cl.[Br-] Br- 1 3.158 2 0 1.43130749328006 20982456 CC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NCCC(=O)O)C.Cl Cl- 1 3.68 3 2 -1.14369427621107 20975228 C[C@@H]1CCC2[C@@]([C@@]13CCC(O3)(CCO)CO)(CC[C@@H]([C@@]2(C)CO)O)C 1 1.064 0 5 0 1.95363196670312 20975219 C[C@]12CCC3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)C[C@H]2O)(C)C(=O)OC)C 1 4.05 0 3 5.0858019167066 20975218 C[C@]12CCC3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)C[C@H]2O)(C)C(=O)O)C 1 3.824 0 3 5.66427882116302 20975213 CN(CC#CCO)[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC 1 3.041 1 6 0 -2.87406687876493 20975202 C[C@@H]1CC2C3[C@@]([C@]1(CCC4=COC=C4)O)(CCC(=O)[C@@]3(C(=O)O2)C)C 1 2.54 0 5 -3.74914076712364 20970735 CC1=CC=C(O1)CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)OC 1 1.558 1 5 0 -17.8965984410755 20970729 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 3.191 2 3 -8.88848136439033 20970659 CC1=CC(=C(C=C1)C)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC 1 4.83 3 4 0 -30.6087447871972 20970646 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC=C(C=C5)F 1 4.89 4 2 -26.9126572338151 20970639 CC1=CC=C(C=C1)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)OC 1 4.29 4 3 0 -21.6511670425201 20970638 CC1=CC=C(C=C1)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 4.512 4 2 -20.5263238079107 20970637 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC=C(C=C5)C 1 5.171 4 2 -28.0891528629515 20970625 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC(=CC=C5)F 1 4.01 4 3 0 -20.5866254523696 20970624 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC(=CC=C5)F 1 4.232 4 2 -20.374453238078 20970623 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC(=CC=C5)F 1 4.999 4 2 -20.9943926508406 20970622 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC(=CC=C5)F)C 1 4.999 4 2 -17.32441228718 20970593 C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)F)F)CC(=O)NC3=CC=CC=C3Cl 1 2.625 4 2 -3.56284495562661 20970588 CCOC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3OC 1 1.866 4 4 0 -9.54074304459392 20970586 COC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3OC)OC 1 1.501 4 5 0 -12.7265738569383 20970585 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.239 5 5 0 -13.6014591973259 20970583 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)F)F 1 1.944 4 3 0 -6.55485064739865 20970582 COC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3OC)OC 1 1.501 4 5 0 -9.59014503325884 20970581 CC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3OC 1 2.003 4 4 0 -8.16726445567813 20970580 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC(=O)NC3=CC(=CC(=C3)OC)OC 1 1.501 4 5 0 -11.0488097201646 20970575 COC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F)OC 1 1.722 4 4 0 -8.25614969464652 20970569 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)N(C)C 1 2.044 5 3 0 -7.38196722787124 20970568 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3OC 1 1.866 4 4 0 -9.03920957570311 20970564 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)N 1 0.884 5 4 0 -8.78851568116589 20970563 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)OC)OC 1 1.849 4 5 0 -10.2924926521635 20970559 CCN(CC)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)OC 1 2.393 5 3 0 -8.90912993742181 20970558 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)F)F 1 1.944 4 3 0 -4.50224698691707 20970552 COC1=C(C=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)Cl)OC 1 3.837 2 3 -2.29673556972211 20970537 C1CN(CCN1CC(=O)C2=CC(=C(C=C2)O)O)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.424 2 5 0 -10.754948835343 20970535 CCC(C)C(C(=O)NCCCN1CCOCC1)NS(=O)(=O)C2=CC=C(C=C2)C 1 1.959 3 4 0 -24.9728834806193 20970534 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.156 2 5 0 -9.746635519822 20970529 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC3=CC=CC=C3OC 1 2.38 3 5 0 -21.9783126957906 20970528 COC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F 1 3.465 2 4 -15.3214270518988 20970070 CCOC1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)CN3C(=O)C4=C(C3=O)N=CC=C4)OC 1 2.534 3 6 0 -5.08298875310618 20970067 COC1=CC(=C(C=C1)OC)CNS(=O)(=O)C2=C(C=CC(=C2)CN3C(=O)C4=C(C3=O)N=CC=C4)OC 1 2.169 3 7 0 -4.77876738387112 20970058 CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC(C)C4=CC=CC=C4 1 2.683 3 4 0 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CCC(C)NC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC3=C(C=C2)N(C(C3)C)C(=O)C4CC4 1 3.479 3 4 0 -25.4072173005683 20969991 C1COC2=C(N1S(=O)(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C4=O)N=CC=C5)C=C(C=C2)Cl 1 2.884 3 5 0 -7.79526667390548 20969986 C1COC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C4=O)N=CC=C5 1 2.219 3 5 0 -10.1334668478804 20969985 CC1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C4=O)N=CC=C5 1 2.597 3 5 0 -8.47498712416873 20969983 CC1=CC2=C(C=C1)OCCN2S(=O)(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C4=O)N=CC=C5 1 2.705 3 5 0 -10.296459482933 20969982 CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)NCC4CCC(CC4)C(=O)NCCCOC 1 2.16 3 5 0 -27.4104377682414 20969977 CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)NCC4CCC(CC4)C(=O)NCCOC 1 2.098 3 5 0 -26.7768255923877 20969924 CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)NCC3CCC(CC3)C(=O)NCCCOC 1 0.752 3 6 0 -26.0025806047572 20969920 CCC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC=CC=C3Br 1 3.345 2 4 -22.2798323658309 20969895 CC(C)C(C(=O)NCC1=CC=CC=C1Cl)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C 1 3.45 3 4 0 -18.9426445392092 20969893 CCOC1=CC=CC=C1/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)N4CCC(CC4)C 1 3.348 3 5 0 -16.3172369582953 20969889 CC1(C2=C(C=CC(=C2)S(=O)(=O)NCC3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F)N(C1=O)C)C 1 3.556 3 4 0 -13.2039330175046 20969885 CC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C 1 3.078 2 3 -17.9589993309815 20969884 CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCN4C(=O)C)C 1 2.304 3 5 0 -16.4841869295343 20969883 CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F 1 1.544 3 5 0 -22.6367676052355 20969882 CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCN4C(=O)C 1 2.274 3 5 0 -16.3358723464516 20969845 CC1=CC=C(C=C1)C2=C(C(=O)C2=O)NCCC3=CC=CC=C3 1 3.324 1 2 -7.3375220290352e-002 20969763 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC)/C=C/N(C)C 1 -0.336 4 4 0 -11.6983805533001 20969762 CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)C2=C(ON=C2C)/C=C/C3=CC(=CC=C3)C 1 3.031 3 4 0 -10.7320645188971 20969756 CCOC1=CC=CC=C1/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC(C)(C)C 1 2.905 3 5 0 -16.3135716921686 20969754 CC1=CC=CC(=C1)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC(C)(C)C 1 3.059 3 4 0 -12.4460534681862 20969749 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)/C=C/C4=CC(=CC=C4)OC 1 3.939 3 5 0 -10.5024656276133 20969746 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)/C=C/C4=CC=CC=C4OC 1 3.939 3 5 0 -12.8145130056143 20969742 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3)/C=C/C4=CC=C(C=C4)OC 1 3.204 3 5 0 -11.4488231966639 20969741 CC1=CC=CC(=C1)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)N4CCCCCC4 1 3.707 3 4 0 -9.69072332197872 20969740 CCOC1=CC=CC=C1/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)N4CCCCCC4 1 3.553 3 5 0 -13.5582415459611 20969735 CC1=CC=C(C=C1)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC(C)(C)C 1 3.059 3 4 0 -13.9794837280611 20969729 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC)/C=C/C3=CC=C(C=C3)OC 1 1.625 3 5 0 -9.31283358530748 20969728 CC1=CC=CC(=C1)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC 1 2.127 3 4 0 -7.55473371062229 20969727 CCOC1=CC=CC=C1/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC 1 1.973 3 5 0 -11.4222519346047 20969725 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC)/C=C/C3=CC(=CC=C3)OC 1 1.625 3 5 0 -8.84464642282124 20969718 CC1=CC=CC(=C1)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC(C)C 1 2.854 3 4 0 -14.2607194288394 20969717 CCOC1=CC=CC=C1/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC(C)C 1 2.7 3 5 0 -18.1282376528218 20969716 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C)/C=C/C3=CC=CC=C3OC 1 2.351 3 5 0 -17.8626795190394 20969690 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=O)O2)CC(=O)NC3CCCCC3 1 2.278 3 5 0 -19.0438982568159 20969689 CC1=CC=C(C=C1)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)N4CCCCC4 1 3.25 3 4 0 -11.2241535818536 20969688 CC1=CC=C(C=C1)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC 1 2.127 3 4 0 -9.08816397049714 20969687 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC)/C=C/C3=CC=CC=C3F 1 1.847 3 4 0 -10.058689104482 20969682 CC1(C2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)Cl)N(C1=O)C)C 1 2.949 3 4 0 -14.0513084770061 20969635 CC1(C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)N(C1=O)C)C 1 2.395 2 3 -10.2564038236279 20969634 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=O)O2)CC(=O)N(C)C3CCCCC3 1 2.484 3 5 0 -18.8854800180293 20969611 CC1CCCN(C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4C)OC2=O 1 2.46 3 5 0 -18.4477303040362 20969591 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)NC1=O 1 2.237 4 4 0 -14.6862968404411 20969589 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)NCC2=CC=CO2 1 1.301 2 5 0 -8.06581370104743 20969549 CC1=CC=C(C=C1)CN(C)S(=O)(=O)C2=C(ON=C2C)/C=C/N(C)C 1 2.053 3 3 -2.41900133429211 20969517 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)OC)NC1=O 1 1.278 4 5 0 -19.5489645982919 20969514 CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C(=O)C3=O)N4CCCC4 1 2.422 3 3 1.20756901692142 20969511 COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)S(=O)(=O)N5CCCC5)OC3=O 1 2.002 4 6 0 -18.0016516903772 20969510 COC1=CC(=C(C=C1)NC(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O)OC 1 1.727 3 7 0 -22.3381749692706 20969508 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)S(=O)(=O)N5CCCC5)OC3=O 1 2.991 4 5 0 -16.6284209743742 20969502 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5F 1 2.224 4 5 0 -15.234476220245 20969454 CC1=NOC(=C1S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)/C=C/N(C)C 1 1.596 4 4 0 -7.85641098894094 20969453 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)/C=C/N(C)C)C 1 2.585 4 3 0 -4.35872728390572 20969447 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)/C=C/N(C)C 1 1.483 5 5 0 -9.90192492836295 20969430 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C4 1 1.305 3 4 0 -21.4110189864356 20969427 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3 1 0.612 2 5 0 -22.989731069743 20969396 CC1=CC(=CC(=C1)NS(=O)(=O)C2=COC(=C2)C(=O)N)C 1 1.687 2 4 0 -3.90003348714756 20969395 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=COC(=C2)C(=O)N 1 1.047 2 5 0 -3.7272577245508 20969316 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC(=O)NC3=CC(=CC=C3)OC)C 1 1.054 4 4 0 -21.3549902310233 20969296 CCOCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NCCCN3CCOCC3)C 1 0.835 4 4 0 -22.6320851803557 20969279 CCCCCOC1=CC=C(C=C1)C(C)(C(CN2CCOCC2)C3=CC=CC=C3)O 1 4.597 1 3 -3.47991729334901 20969252 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCC3)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC 1 2.438 4 6 0 -25.9322095537412 20969249 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCC3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)OC 1 2.73 5 4 0 -18.8705307918183 20969227 CC1CCCN(C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC)C 1 2.758 4 6 0 -26.7156291056195 20969192 COCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCOCC3 1 -0.945 3 6 0 -29.7906515470639 20969180 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=N4)C(=O)NC5=CC(=CC=C5)OC 1 2.572 6 4 0 -17.8311248378764 20969169 CC1=C(SC2=NC(=NC(=C12)N3CCOCC3)C)C(=O)NC4=C(C=CC(=C4)Cl)OC 1 3.667 4 3 0 -12.7280272290321 20969147 COC1=CC=C(C=C1)C(=O)CCC(=O)NCCC2=CNC3=CC=CC=C32 1 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CC(C)C(C(=O)NCCCN1CCCCCC1)NS(=O)(=O)C2=CC=CS2 1 2.489 3 3 -20.8351082338772 20964553 COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C5=CC=C(C=C5)OC 1 4.928 4 2 4.21375609761028 20964551 COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C5=CC(=CC=C5)Cl 1 5.609 4 1 9.44267018936298 20964531 COC1=CC=C(C=C1)N2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)F 1 5.15 4 1 5.75195206529308 20963512 CC1=CC=C(C=C1)C2=C(N=CO2)C(=O)N3CCOCC3 1 1.553 2 3 0 -7.39384010066375 20962750 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4CCCCS4(=O)=O 1 2.435 3 4 0 -6.30278279755106 20962749 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4CCCCS4(=O)=O 1 2.435 3 4 0 -4.69639033230509 20962594 CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=CO2)N3CCCC3 1 2.807 3 2 -15.6089238781144 20962572 CN(C)C1=CC=C(C=C1)C(CNC(=O)COC2=CC=C(C=C2)Cl)N3CCCC3 1 3.911 3 2 -15.2753262836566 20962561 CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=CS2)N(C)C 1 2.904 3 1 -8.68732331673405 20962015 CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2C)N(C(=O)N3C)C 1 3.02 3 3 -9.97109483201834 20961977 CCOCCC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC(=CC(=C3)C)C 1 3.221 4 3 0 -21.9092381290139 20961976 CCOCCC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC=CC(=C3C)C 1 3.221 4 3 0 -20.4387809412597 20961975 CCOCCC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC=C(C=C3)OC 1 2.232 4 4 0 -21.7869634736749 20961974 CCOCCC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC=CC=C3 1 2.248 4 3 0 -21.6016943515391 20961972 CCCC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=NN=C(S3)C(C)C 1 2.902 6 2 0 -24.4833906153978 20961971 CCCC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=NN=C(S3)CC 1 2.44 6 2 0 -26.2443511363071 20961967 CCCC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC=C(C=C3)OC 1 3.022 4 3 0 -18.6191371557646 20961966 CCCC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC(=CC=C3)OC 1 3.022 4 3 0 -18.2624317610769 20961965 CCCC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC=CC=C3OC 1 3.022 4 3 0 -21.7378856941757 20961961 CCCC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC=C(C=C3)F 1 3.243 4 2 -17.4942939211552 20961960 CCCC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC=C(C=C3)C 1 3.524 4 2 -18.2061709466204 20961959 CCCC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC=CC(=C3)C 1 3.524 4 2 -16.3185253932913 20961957 CCCC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC=CC=C3 1 3.038 4 2 -18.3628250849938 20961917 CCC1=NN=C(S1)NC(=O)CSCC2=CC(=O)N3C=C(SC3=N2)C 1 1.211 5 2 0 -23.9090130911823 20961916 CC1=CC(=C(C=C1)NC(=O)CSCC2=CC(=O)N3C=C(SC3=N2)C)C 1 2.782 3 2 -18.6031712896013 20961915 CC1=CN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC=C(C=C3)OC 1 1.793 3 3 0 -16.0654998074326 20961913 CC1=CC=C(C=C1)NC(=O)CSCC2=CC(=O)N3C=C(SC3=N2)C 1 2.296 3 2 -15.8408301926223 20961911 CCCCC1=NN=C(S1)NC(=O)CSCC2=CC(=O)N3C=C(SC3=N2)C 1 2.124 5 2 0 -23.0250222063173 20961908 CC1=C(C(=CC=C1)NC(=O)CSCC2=CC(=O)N3C(=CSC3=N2)C)C 1 2.782 3 2 -15.9852185235835 20961907 CC1=CSC2=NC(=CC(=O)N12)CSCC(=O)NC3=CC=C(C=C3)OC 1 1.793 3 3 0 -17.2161474102999 20961905 CC1=CSC2=NC(=CC(=O)N12)CSCC(=O)NC3=CC=CC=C3OC 1 1.793 3 3 0 -20.334895948711 20961897 CCCCC1=NN=C(S1)NC(=O)CSCC2=CC(=O)N3C(=CSC3=N2)C 1 2.124 5 2 0 -24.1756698091846 20961896 CCC1=NN=C(S1)NC(=O)CSCC2=CC(=O)N3C=CSC3=N2 1 0.698 5 2 0 -27.7276101107416 20961895 CC1=CC(=CC(=C1)NC(=O)CSCC2=CC(=O)N3C=CSC3=N2)C 1 2.269 3 2 -19.9353285336958 20961894 CC1=CC(=C(C=C1)NC(=O)CSCC2=CC(=O)N3C=CSC3=N2)C 1 2.269 3 2 -22.2334717148267 20961893 CC1=C(C(=CC=C1)NC(=O)CSCC2=CC(=O)N3C=CSC3=N2)C 1 2.269 3 2 -18.4648713459416 20961892 COC1=CC=C(C=C1)NC(=O)CSCC2=CC(=O)N3C=CSC3=N2 1 1.28 3 3 0 -19.8840968269918 20961891 COC1=CC=CC=C1NC(=O)CSCC2=CC(=O)N3C=CSC3=N2 1 1.28 3 3 0 -23.002845365403 20961888 C1=CC(=CC=C1NC(=O)CSCC2=CC(=O)N3C=CSC3=N2)F 1 1.502 3 2 0 -18.7592535923824 20961887 CC1=CC=CC=C1NC(=O)CSCC2=CC(=O)N3C=CSC3=N2 1 1.782 3 2 0 -22.03582339384 20961886 C1=CC=C(C=C1)NC(=O)CSCC2=CC(=O)N3C=CSC3=N2 1 1.296 3 2 0 -19.627784756221 20961885 CCCCC1=NN=C(S1)NC(=O)CSCC2=CC(=O)N3C=CSC3=N2 1 1.61 5 2 0 -26.8436192258765 20961881 COC1=CC=C(C=C1)NC(=O)CSCC2=CC(=O)N3C(=N2)SC(=N3)C4CC4 1 2.656 4 3 0 -17.8559760502541 20961880 COC1=CC=CC(=C1)NC(=O)CSCC2=CC(=O)N3C(=N2)SC(=N3)C4CC4 1 2.656 4 3 0 -17.4992706555664 20961877 C1CC1C2=NN3C(=O)C=C(N=C3S2)CSCC(=O)NC4=CC=CC=C4Cl 1 3.337 4 2 -17.4423455696838 20961876 C1CC1C2=NN3C(=O)C=C(N=C3S2)CSCC(=O)NC4=CC=C(C=C4)F 1 2.878 4 2 -16.7311328156447 20961875 CC1=CC=C(C=C1)NC(=O)CSCC2=CC(=O)N3C(=N2)SC(=N3)C4CC4 1 3.159 4 2 -17.44300984111 20961874 CC1=CC(=CC=C1)NC(=O)CSCC2=CC(=O)N3C(=N2)SC(=N3)C4CC4 1 3.159 4 2 -15.5553642877808 20961846 CC(C)CC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC=CC=C3F 1 3.495 4 2 -17.2894922995329 20961837 CCC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC=CC=C3Cl 1 3.246 4 2 -19.7124865665094 20961836 CCC1=NN=C(S1)NC(=O)CSCC2=CC(=O)N3C(=N2)SC(=N3)C(C)C 1 2.446 6 2 0 -28.7806768103023 20961821 CCC1=NN=C(S1)NC(=O)CSCC2=CC(=O)N3C(=N2)SC(=N3)C 1 1.316 6 2 0 -24.7269879557625 20961814 CC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC=CC=C3Cl 1 2.579 4 2 -16.4698441914424 20961812 CC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC=CC=C3F 1 2.12 4 2 -17.7253596098822 20961610 CC1=C(C(=O)N(C2=C1C(=NN2C3=CC(=CC=C3)F)C)C)CCC(=O)N4CCOCC4 1 2.296 4 3 0 -7.56268473566589 20961554 CCN1CCN(CC1)CCNC(=O)CCC2=C(C3=C(N(C2=O)C)N(N=C3C)C4=CC=CC=C4)C 1 2.642 6 2 0 -14.4380582029106 20961546 CC1=C(C(=O)N(C2=C1C(=NN2C3=CC=CC=C3)C)C)CCC(=O)N4CCOCC4 1 2.091 4 3 0 -10.9303504497126 20961539 CC1=C(C(=O)N(C2=C1C(=NN2C3=CC=CC=C3)C)C)CCC(=O)NCCN4CCOCC4 1 2.024 5 3 0 -16.56963628693 20961532 CCN1CCN(CC1)C(=O)CCC2=C(C3=C(N(C2=O)C)N(N=C3C)C4=CC=CC=C4)C 1 2.709 5 2 0 -8.21167352851907 20961517 CC1=C(C(=O)N(C2=C1C(=NN2C3=CC=CC=C3)C)C)CCC(=O)N4CCN(CC4)C 1 2.36 5 2 0 -6.88618549132794 20961473 CC1=CC=C(C=C1)N2C3=C(C(=C(C(=O)N3C)CCC(=O)N4CCOCC4)C)C(=N2)C 1 2.577 4 3 0 -10.4521545334587 20961467 CC1=CC=C(C=C1)N2C3=C(C(=C(C(=O)N3C)CCC(=O)NCCN4CCOCC4)C)C(=N2)C 1 2.51 5 3 0 -16.0914403706762 20961450 CC1=CC=C(C=C1)N2C3=C(C(=C(C(=O)N3C)CCC(=O)N4CCN(CC4)C5=CC=CC=N5)C)C(=N2)C 1 3.907 6 2 0 -5.7255784441107 20961365 CCN1CCN(CC1)CCNC(=O)CCC2=C(C3=C(N(C2=O)CC)N(N=C3C)C4=CC=CC(=C4)C)C 1 3.477 6 2 0 -10.9273358498381 20961352 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CC1=CC(=C(C=C1)C)NC(=O)CCC2=NN=C3N2N=C(C=C3)N4CCCCC4 1 3.085 6 1 0 -13.6549755899123 20956883 CCOCCCNC(=O)CCC1=NN=C2N1N=C(C=C2)N3CCCCC3 1 0.816 6 2 0 -22.4165458292483 20956882 COC1=CC(=C(C=C1)OC)CCNC(=O)CCC2=NN=C3N2N=C(C=C3)N4CCCCC4 1 2.407 6 3 0 -19.4617745081758 20956880 CCC1=CC=C(C=C1)NC(=O)CCC2=NN=C3N2N=C(C=C3)N4CCCC4 1 2.598 6 1 0 -11.7613035278282 20956875 C1CCN(C1)C2=NN3C(=NN=C3CCC(=O)NC4=CC(=C(C=C4)F)F)C=C2 1 2.067 6 1 0 -10.6860262031712 20956872 C1CCN(C1)C2=NN3C(=NN=C3CCC(=O)NC4=C(C=CC(=C4)F)F)C=C2 1 2.067 6 1 0 -11.0151100507463 20956871 CC1=CC(=C(C=C1)C)NC(=O)CCC2=NN=C3N2N=C(C=C3)N4CCCC4 1 2.628 6 1 0 -13.3005070757442 20956870 CC(=O)C1=CC=C(C=C1)NC(=O)CCC2=NN=C3N2N=C(C=C3)N4CCCC4 1 1.396 6 2 0 -15.2365479228458 20956869 COC1=CC(=C(C=C1)OC)CCNC(=O)CCC2=NN=C3N2N=C(C=C3)N4CCCC4 1 1.951 6 3 0 -19.1073059940077 20956867 CCOC1=CC=C(C=C1)N(C)C(=O)CCC2=NN=C3N2N=C(C=C3)N4CCOCC4 1 1.421 6 3 0 -13.0284813829982 20956863 C1COCCN1C2=NN3C(=NN=C3CCC(=O)NC4=C(C=C(C=C4)F)F)C=C2 1 1.294 6 2 0 -13.1553523907722 20956860 COC1=CC(=C(C=C1)OC)CCNC(=O)CCC2=NN=C3N2N=C(C=C3)N4CCOCC4 1 1.178 6 4 0 -21.0508606308885 20956688 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(C2)C(=O)N3CCCC3)C(=O)C 1 0.907 3 4 0 -21.4349716893086 20956615 CC1=CC=CC=C1CNC(=O)C2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCC4 1 2.53 3 4 0 -25.5355882896336 20956610 CC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4=CC=C(C=C4)N(C)C 1 2.206 4 4 0 -27.0450979376573 20956609 CCOC1=CC=C(C=C1)CNC(=O)C2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCC4 1 2.376 3 5 0 -25.5630009198968 20956608 CC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4=CC=C(C=C4)SC 1 2.585 3 4 0 -22.1786946185749 20956605 CCOC1=CC=CC=C1CNC(=O)C2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCC4 1 2.376 3 5 0 -27.4482921988375 20956594 CCCCNC(=O)C1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCCC3 1 1.789 3 4 0 -27.733303535437 20956591 CC1=CC(=CC=C1)NC(=O)C2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCC4 1 2.523 3 4 0 -19.4814659733161 20956590 CC1=CC=C(C=C1)NC(=O)C2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCC4 1 2.523 3 4 0 -21.2292736224236 20956588 CC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NC4=CC(=C(C=C4)OC)Cl 1 2.685 3 5 0 -22.2039263840616 20956586 CC1=C(C=CC(=C1)F)NC(=O)C2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCC4 1 2.728 3 4 0 -22.4476397239697 20956571 CC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4=CC=CC=C4OC 1 2.027 3 5 0 -26.9110355992547 20956546 CC1=CC=C(C=C1)CNC(=O)C2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCC4 1 2.53 3 4 0 -24.3838115590447 20956520 CC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NC4=CC=CC=C4C(F)(F)F 1 2.979 3 4 0 -21.4528344455531 20956519 CC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4=CC(=CC=C4)Cl 1 2.708 3 4 0 -22.40090486015 20956506 CCC1=CC=C(C=C1)CNC(=O)C2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCC4 1 2.53 3 4 0 -24.6854811587625 20956504 CC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=CC(=CC=C4)F 1 1.793 3 4 0 -22.6012784694834 20956503 CC(C)OC1=CC=C(C=C1)CNC(=O)C2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCC4 1 2.297 3 5 0 -25.6435013340194 20956495 CC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=CC=C(C=C4)N(C)C 1 1.749 4 4 0 -26.6906294234892 20956494 CCOC1=CC=C(C=C1)CNC(=O)C2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCC4 1 1.92 3 5 0 -25.2085324057288 20956492 CC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=C(C(=CC=C4)OC)OC 1 1.554 3 6 0 -26.2101785109083 20956491 CC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=C(C=C(C=C4)OC)OC 1 1.554 3 6 0 -25.3408365056182 20956490 CC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=CC=C(C=C4)SC 1 2.129 3 4 0 -21.8242261044068 20956485 CC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=CC=CC=C4F 1 1.793 3 4 0 -25.4663207942591 20956471 CCCCNC(=O)C1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC3 1 1.332 3 4 0 -27.3788350212689 20956470 CCNC(=O)C1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC3 1 0.352 3 4 0 -23.0276334230524 20956462 CC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCCCOC 1 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CC1CCC(CC1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CC4 1 2.932 2 4 -30.8192194508693 20950642 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)C5CC5 1 3.63 3 4 0 -23.7515637067873 20950641 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)C5CC5)C 1 3.63 3 4 0 -19.6578162089472 20950144 CCCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)CC 1 1.986 3 5 0 -10.3602959132789 20949946 CC(=O)C1=CC(=CC=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 1.606 4 4 0 -16.6186365387474 20949933 COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 1.817 4 6 0 -18.971304589357 20949889 CC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 1.606 4 4 0 -17.6649609198982 20949811 CC(=O)C1=CC(=CC=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCOCC3 1 -0.357 4 5 0 -16.8837326493138 20949794 COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCOCC3 1 -0.146 4 7 0 -19.4092288434662 20949737 CC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCOCC3 1 -0.357 4 5 0 -18.0274512569893 20949703 CC1CCN(CC1)S(=O)(=O)C2=CN(C=N2)CC(=O)NCC3=CC=C(O3)C 1 0.718 4 4 0 -21.7660572752365 20949679 CC1CCN(CC1)S(=O)(=O)C2=CN(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 2.585 5 3 0 -8.80997196444232 20949676 CC1CCN(CC1)S(=O)(=O)C2=CN(C=N2)CC(=O)NC3=CC=CC(=C3)C(=O)C 1 1.124 4 4 0 -17.6470381812291 20949660 CC1CCN(CC1)S(=O)(=O)C2=CN(C=N2)CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC 1 1.335 4 6 0 -20.1725343753816 20949602 CC1CCN(CC1)S(=O)(=O)C2=CN(C=N2)CC(=O)NC3=CC=C(C=C3)C(=O)C 1 1.124 4 4 0 -18.7907567889047 20949556 CC1=CC=C(O1)CNC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCCC3 1 0.466 4 4 0 -19.0445690218714 20949523 CC(=O)C1=CC(=CC=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCCC3 1 0.872 4 4 0 -14.9255499278641 20949520 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C=C(N=C3)S(=O)(=O)N4CCCCC4 1 1.131 5 4 0 -15.3956175175572 20949506 COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCCC3 1 1.083 4 6 0 -17.4510461220165 20949485 C1CCN(CC1)S(=O)(=O)C2=CN(C=N2)CC(=O)NCC3=CC=CO3 1 0.321 4 4 0 -20.89699911328 20949444 CC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCCC3 1 0.872 4 4 0 -16.0692685355396 20949434 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC(=O)N4 1 0.572 4 5 0 -23.7743025211373 20949422 CCOC1=CC=CC=C1NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 1.425 3 6 0 -20.3666367369404 20949419 CC1=CC(=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)C 1 2.066 3 5 0 -18.9438502417058 20949407 CCC1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 2.035 3 5 0 -16.2811093762842 20949400 CN(CC(=O)NC1=CC(=C(C=C1OC)OC)Cl)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 1.725 3 7 0 -20.0880505319287 20949398 CN(CC(=O)NC1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 1.757 3 5 0 -13.4326398880213 20949397 CN(CC(=O)NC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 1.077 3 6 0 -16.4546374496493 20949396 CN(CC(=O)NC1=CC(=CC=C1)OC)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 1.077 3 6 0 -16.2377699591832 20949320 CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)F 1 2.405 3 5 0 -13.9434912187293 20949309 C1CN(CCC1C(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4 1 1.919 3 5 0 -14.8351836150326 20949308 COC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)OC 1 1.681 3 7 0 -18.9734179503075 20949304 COC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4 1 1.697 3 6 0 -15.743159359176 20949303 COC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)OC 1 1.681 3 7 0 -19.6176520054653 20949286 COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)Cl)OC3=O)OC)OC 1 2.967 3 6 0 -1.11007319985039 20949250 CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C4=CC=CC=C4OC3=O 1 3.513 3 3 -5.60981947554353 20949192 CC1CCC(CC1)NC(=O)CN2C3=CC=CC=C3OC2=O 1 2.716 2 3 -9.76572173691724 20949172 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCC3=NN=C4N3C=CN(C4=O)C5=CC=C(C=C5)OC)C 1 2.493 6 3 0 -4.58727854251518 20948715 CC1CCCCN1CCCNC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4 1 3.622 4 2 -15.648672352751 20948710 CCCCNC(=O)CCCN1C2=CC=CC=C2SC3=C(C1=O)C=CC=N3 1 3.455 3 2 -14.6161978890276 20948701 COCCCNC(=O)CCCN1C2=CC=CC=C2SC3=C(C1=O)C=CC=N3 1 2.058 3 3 -15.965236368251 20947197 CCOC(=O)C1CCN(CC1)C2=NN=C(C=C2)C3=CC=CS3 1 2.869 3 2 -3.04406476981848 20947175 CC1=CC=CC=C1CNC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCC3 1 1.169 4 3 0 -19.5408206551583 20947160 CC1=C(C=C(C=C1)CN(CCOC)C(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCC3)Br 1 1.993 4 4 0 -17.9135146532491 20947125 CC(=O)C1=CC(=CC=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCC3 1 0.416 4 4 0 -14.571081413696 20947068 CC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCC3 1 0.416 4 4 0 -15.7148000213715 20947016 CC1=C(C=C2C(=N1)C=CN(C2=O)CC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5 1 3.12 4 2 -3.03793406127638 20947006 CC1=C(C(=NN1C2=NN=C(C=C2)N3CCOCC3)C)CCC(=O)NC4=CC=CC=C4 1 2.45 6 2 0 -10.308426269577 20947000 CC1=CC(=CC=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCOCC4)C 1 2.936 6 2 0 -8.45242317220829 20946999 CC1=CC=CC=C1NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCOCC4)C 1 2.936 6 2 0 -12.9047615015297 20946998 CC1=CC=C(C=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCOCC4)C 1 2.936 6 2 0 -10.3400687255374 20946987 CCC1=CC(=CC=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCOCC4)C 1 3.392 6 2 0 -9.30242694865937 20946983 CC1=CC(=CC(=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCOCC4)C)C 1 3.422 6 2 0 -10.7288327243675 20946982 CC1=C(C(=NN1C2=NN=C(C=C2)N3CCOCC3)C)CCC(=O)N4CCN(CC4)C 1 1.036 7 2 0 -7.8573194457146 20946980 CC1=C(C=C(C=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCOCC4)C)C 1 3.422 6 2 0 -10.5879835401775 20946969 CC1=C(C(=NN1C2=NN=C(C=C2)N3CCOCC3)C)CCC(=O)NC4=CC=C(C=C4)F 1 2.655 6 2 0 -9.43989510573836 20946967 CCC1=CC=C(C=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCOCC4)C 1 3.392 6 2 0 -10.3912102669827 20946961 CC1=C(C(=NN1C2=NN=C(C=C2)N3CCOCC3)C)CCC(=O)NC4=CC=C(C=C4)OC 1 2.434 6 3 0 -10.5647383403478 20946960 CC1=C(C(=NN1C2=NN=C(C=C2)N3CCOCC3)C)CCC(=O)NC4=CC(=CC=C4)OC 1 2.434 6 3 0 -10.2080329456601 20946939 CC1=CC(=CC=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCCCC4)C 1 4.166 6 1 0 -6.86333704949552 20946938 CC1=CC=C(C=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCCCC4)C 1 4.166 6 1 0 -8.75098260282465 20946936 CC1=C(C=CC(=C1)F)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCCCC4)C 1 4.371 6 1 0 -10.4674356435844 20946932 CC1=C(C(=NN1C2=NN=C(C=C2)N3CCCCC3)C)CCC(=O)NC4=CC(=C(C=C4)F)F 1 4.09 6 1 0 -7.7268468196129 20946929 CC1=C(C(=NN1C2=NN=C(C=C2)N3CCCCC3)C)CCC(=O)NC4=C(C=CC(=C4)F)F 1 4.09 6 1 0 -8.05593066718799 20946925 CCC1=CC(=CC=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCCCC4)C 1 4.622 6 1 0 -7.7133408259466 20946921 CC1=CC(=CC(=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCCCC4)C)C 1 4.652 6 1 0 -9.13974660165472 20946919 CC1=C(C=C(C=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCCCC4)C)C 1 4.652 6 1 0 -8.99889741746476 20946917 CC1=CC(=C(C=C1)C)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCCCC4)C 1 4.652 6 1 0 -10.5296242865197 20946912 CCOC1=CC=C(C=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCCCC4)C 1 4.012 6 2 0 -9.74187536934301 20946907 CC1=C(C(=NN1C2=NN=C(C=C2)N3CCCCC3)C)CCC(=O)NC4=CC=C(C=C4)F 1 3.885 6 1 0 -7.85080898302559 20946906 CC1=C(C(=NN1C2=NN=C(C=C2)N3CCCCC3)C)CCC(=O)NC4=CC=CC=C4F 1 3.885 6 1 0 -9.81753715550452 20946905 CCC1=CC=C(C=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCCCC4)C 1 4.622 6 1 0 -8.80212414426993 20946720 CN1C2=CC(=C(C=C2N(C(=O)C1=O)C)N3CCCC3)NS(=O)(=O)C4=CC=C(C=C4)Cl 1 2.238 4 4 0 -0.282916302324629 20946719 CN1C2=CC(=C(C=C2N(C(=O)C1=O)C)N3CCCC3)NS(=O)(=O)C4=CC=C(C=C4)F 1 1.779 4 4 0 -1.3930379674462 20946718 CN1C2=CC(=C(C=C2N(C(=O)C1=O)C)N3CCCC3)NS(=O)(=O)C4=C(C=CC(=C4)OC)OC 1 1.54 4 6 0 -3.91626281825217 20946715 CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C3C(=C2)N(C(=O)C(=O)N3C)C)N4CCCCC4 1 2.972 4 4 0 -2.69882164285861 20946710 CN1C2=CC(=C(C=C2N(C(=O)C1=O)C)N3CCCCC3)NS(=O)(=O)C4=CC=C(C=C4)Br 1 2.778 4 4 0 -2.09404456159415 20946667 COCCC1=NN2C(=O)C=C(N=C2S1)COC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.104 3 7 0 -18.3878389123243 20946181 CCC1=C(C=C2C(=C1)C3=C(N2)CCCC3=O)S(=O)(=O)N4CCC5(CC4)OCCO5 1 2.639 2 5 0 -17.0896801565219 20946074 CCC1=C(C=C2C(=C1)C3=C(N2)CC(CC3=O)(C)C)S(=O)(=O)NCCCOC 1 2.757 2 4 -15.1257580980008 20946021 CC1=C(C=C2C(=C1)C3=C(N2)CCCC3=O)S(=O)(=O)NCC4=CC=C(O4)CN5CCCCCC5 1 4.202 3 4 0 -5.48892544520269 20945965 CC1=C(C=C2C(=C1)C3=C(N2)CCCC3=O)S(=O)(=O)N4CCC5(CC4)OCCO5 1 2.182 2 5 0 -16.7040148497413 20945870 CC1=C(C=C2C(=C1)C3=C(N2)CC(CC3=O)(C)C)S(=O)(=O)NCC4=CC=C(O4)CN5CCCCCC5 1 4.66 3 4 0 -7.96169573768272 20945818 CC1=C(C=C2C(=C1)C3=C(N2)CC(CC3=O)(C)C)S(=O)(=O)NCCCOC(C)C 1 3.028 2 4 -15.8773691467167 20945811 CCOCCCNS(=O)(=O)C1=C(C=C2C(=C1)NC3=C2C(=O)CC(C3)(C)C)C 1 2.65 2 4 -16.1270732372576 20945802 CC1=C(C=C2C(=C1)C3=C(N2)CC(CC3=O)(C)C)S(=O)(=O)N4CCC5(CC4)OCCO5 1 2.64 2 5 0 -19.5181733623539 20945795 CC1=C(C=C2C(=C1)C3=C(N2)CC(CC3=O)(C)C)S(=O)(=O)NCCOC 1 2.239 2 4 -13.7689061525633 20945684 CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC(=CC=C2)OC)C(=O)N3CCCCCC3 1 2.686 3 4 0 -8.05274372923443 20945683 CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC=CC=C2OC)C(=O)N3CCCCCC3 1 2.686 3 4 0 -10.8173935536832 20945676 CC1=CC(=CC(=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C)C 1 3.668 3 3 -7.3061421457461 20945672 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C)C 1 3.668 3 3 -6.3621433911268 20945670 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C)Cl 1 3.846 3 3 -4.65278127419132 20945667 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=C(C=CC(=C2)OC)OC)C(=O)N3CCCCCC3 1 2.662 3 5 0 -8.43714100554725 20945665 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C)C 1 3.668 3 3 -7.93085613568869 20945662 CC1=CC=CC=C1NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C 1 3.181 3 3 -7.73320781470192 20945652 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C 1 3.028 3 4 0 -7.08490769303718 20945650 CC1=CC=C(C=C1)CNS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C 1 3.188 3 3 -7.8193129728186 20945648 CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC=C(C=C2)OC)C(=O)N3CCCCCC3 1 2.686 3 4 0 -8.04398258762893 20945645 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=C(C=C2)F)C(=O)N3CCCCCC3 1 2.901 3 3 -5.19384130671977 20945644 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC(=CC=C2)F)C(=O)N3CCCCCC3 1 2.901 3 3 -4.13492631652243 20945643 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=CC=C2F)C(=O)N3CCCCCC3 1 2.901 3 3 -7.48765247225731 20945642 CCC1=CC=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C 1 3.638 3 3 -6.14515646796411 20945641 CCC1=CC=CC=C1NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C 1 3.638 3 3 -8.41556222780254 20945640 CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C 1 2.899 3 5 0 -11.1644105131947 20945631 CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC=CC=C2Cl)C(=O)N3CCCCCC3 1 3.367 3 3 -9.65380894395666 20945626 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=C(C=C2)OC)C(=O)N3CCCCCC3 1 2.679 3 4 0 -6.31868454132916 20945625 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC(=CC=C2)OC)C(=O)N3CCCCCC3 1 2.679 3 4 0 -5.98219279660935 20945618 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC(=C(C=C2)OC)OC)C(=O)N3CCCCCC3 1 2.662 3 5 0 -11.2560507311858 20945610 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC(=CC=C2)Br)C(=O)N3CCOCC3 1 1.758 3 4 0 -6.03551189344313 20945609 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=CC=C2)C(=O)N3CCOCC3 1 1.01 3 4 0 -7.63066892033396 20945604 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCOCC3)C)C)C 1 1.496 3 4 0 -7.66231137629441 20945599 CC1=C(C=CC(=C1)F)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCOCC3)C)C)C 1 1.701 3 4 0 -8.45326452924494 20945598 CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C(=O)N4CCOCC4 1 1.252 4 5 0 -14.961569409513 20945587 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=C(C=C2)C(C)C)C(=O)N3CCOCC3 1 2.204 3 4 0 -7.19055508530897 20945582 CC1=C(C=CC(=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCOCC3)C)C)C)Br 1 2.244 3 4 0 -7.53440708161755 20945580 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)C)C(=O)N3CCOCC3 1 0.749 3 5 0 -10.0651923550496 20945579 CC1=CC(=CC(=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCOCC3)C)C)C)C 1 1.982 3 4 0 -8.87443859552169 20945578 CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCOCC3)C)C)C)C 1 2.468 3 4 0 -8.41904672041645 20945576 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCOCC3)C)C)C)C 1 1.982 3 4 0 -7.93043984090238 20945568 CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCOCC3)C)C)C 1 2.16 3 4 0 -7.02902331002164 20945567 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCOCC3 1 0.96 3 7 0 -13.3184042026133 20945564 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=C(N(C(=C3C(=O)N4CCOCC4)C)C)C 1 2.419 4 4 0 -12.7283058947349 20945560 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=C(C=C(C=C2)Br)F)C(=O)N3CCOCC3 1 1.963 3 4 0 -6.15892417938786 20945555 CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)N4CCOCC4 1 1.252 4 5 0 -16.7425673239871 20945551 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=C(C=C2)F)C(=O)N3CCOCC3 1 1.215 3 4 0 -6.76213775649536 20945550 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC(=CC=C2)F)C(=O)N3CCOCC3 1 1.215 3 4 0 -5.70322276629802 20945549 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=CC=C2F)C(=O)N3CCOCC3 1 1.215 3 4 0 -9.0559489220329 20945548 CCC1=CC=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCOCC3)C)C)C 1 1.952 3 4 0 -7.71345291773969 20945544 CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCOCC3)C)C)C)C 1 1.982 3 4 0 -7.27870305324916 20945492 CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)N4CCCCC4 1 2.703 4 3 0 -12.4070954040793 20945493 CC1=CC=C(O1)CNS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCC3)C)C)C 1 1.573 3 4 0 -9.34862534229428 20945494 CC1=C(C(=C(N1C)C)S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)N3CCCCC3 1 1.272 4 5 0 -13.1545130326072 20945495 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=C(N(C(=C3C(=O)N4CCCCC4)C)C)C 1 2.897 3 3 -11.764117298469 20945540 CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C(=O)N4CCOCC4 1 1.933 4 4 0 -12.7266045097821 20945518 CC1=C(C(=C(N1C)C)S(=O)(=O)N(C)CC2=CC=CO2)C(=O)N3CCCCC3 1 1.634 3 4 0 -10.3478736868125 20945516 CC1=CC=CC=C1CNS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCC3)C)C)C 1 2.732 3 3 -9.63024283839593 20945512 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=C(C=C(C=C2Cl)OC)OC)C(=O)N3CCCCC3 1 2.871 3 5 0 -7.28828789922048 20945511 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC(=CC=C2)Br)C(=O)N3CCCCC3 1 2.987 3 3 -4.46721544366754 20945480 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCC3)C)C)C 1 1.68 3 5 0 -18.7743499089701 20945478 CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C(=O)N4CCCCC4 1 2.703 4 3 0 -12.2684297251281 20945471 CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC=C(C=C2)F)C(=O)N3CCCCC3 1 2.451 3 3 -6.91913935301954 20945469 CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC(=CC=C2)OC)C(=O)N3CCCCC3 1 2.23 3 4 0 -8.05274372923443 20945468 CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC=CC=C2OC)C(=O)N3CCCCC3 1 2.23 3 4 0 -10.8173935536832 20945458 CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)N4CCCCC4 1 2.238 4 4 0 -16.69498928139 20945455 CC1=C(C(=C(N1C)C)S(=O)(=O)NCCC2=CC=CC=C2)C(=O)N3CCCCC3 1 2.567 3 3 -9.91951673093359 20945441 CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(N(C(=C3C(=O)N4CCCCC4)C)C)C 1 3.47 4 3 0 -13.8494988483206 20945440 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=C(N(C(=C3C(=O)N4CCCCC4)C)C)C)C 1 3.47 4 3 0 -9.89558925470224 20945431 CC1CCN(CC1)S(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCC3)C)C)C 1 2.037 3 3 -17.8633036308791 20945430 CC1=CC=C(C=C1)CNS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCC3)C)C)C 1 2.732 3 3 -7.8193129728186 20945427 CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC=C(C=C2)OC)C(=O)N3CCCCC3 1 2.23 3 4 0 -8.04398258762893 20945426 CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)N4CCCCC4 1 2.52 3 3 -16.3215067640544 20945420 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCC3)C)C)C 1 1.545 3 5 0 -18.3491352817155 20945415 CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCC3)C)C)C 1 3.211 3 3 -7.76972789172982 20945413 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=C(C=C(C=C2)F)F)C(=O)N3CCCCC3 1 2.65 3 3 -5.92273368708586 20945410 CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C(=O)N4CCCCC4 1 3.162 4 3 0 -11.1583080600065 20945409 CC1=C(C(=C(N1C)C)S(=O)(=O)NCCC2=CC=C(C=C2)Cl)C(=O)N3CCCCC3 1 3.232 3 3 -7.28270313556718 20945406 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC(=C(C=C2OC)OC)Cl)C(=O)N3CCCCC3 1 2.871 3 5 0 -9.75780588425316 20945405 CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC=C(C=C2)Cl)C(=O)N3CCCCC3 1 2.91 3 3 -5.80901768789798 20945404 CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC=CC=C2Cl)C(=O)N3CCCCC3 1 2.91 3 3 -9.65380894395666 20945400 CC1=C(C(=C(N1C)C)S(=O)(=O)N(C)CC2=CC=CC=C2)C(=O)N3CCCCC3 1 2.452 3 3 -8.39426542725517 20945384 CCOC1=C(C=C(C=C1)CNS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCC3)C)C)C)OC 1 2.106 3 5 0 -13.4950376014619 20945381 CC1=CC=CC=C1CNS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCC3)C)C)C 1 2.276 3 3 -9.27577432422785 20945380 CC1=CC(=C(C=C1)C)CNS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCC3)C)C)C 1 2.762 3 3 -7.55148114847624 20945376 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=C(C=C(C=C2Cl)OC)OC)C(=O)N3CCCC3 1 2.414 3 5 0 -6.9338193850524 20945375 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC(=CC=C2)Br)C(=O)N3CCCC3 1 2.531 3 3 -4.11274692949946 20945374 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=CC=C2)C(=O)N3CCCC3 1 1.783 3 3 0 -5.70790395639029 20945373 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=CC=C2OC)C(=O)N3CCCC3 1 1.766 3 4 0 -9.58132613620709 20945372 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCC3)C)C)C 1 2.269 3 3 -3.87211450898947 20945369 CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCCCC2)C(=O)N3CCCC3 1 1.329 3 3 0 -14.5347330672039 20945368 CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=CC=C2Cl)C(=O)N3CCCC3 1 2.447 3 3 -6.08005949266222 20945367 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCC3)C)C)C 1 2.269 3 3 -5.73954641235074 20945366 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCC3)C)C)C 1 2.344 3 3 -11.4922871653522 20945359 CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)N4CCCC4 1 2.247 4 3 0 -12.0526268899112 20945349 CC1=C(C(=C(N1C)C)S(=O)(=O)NCC(C)C2=CC=CC=C2)C(=O)N3CCCC3 1 2.43 3 3 -11.6241451067255 20945342 CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC(=CC=C2)OC)C(=O)N3CCCC3 1 1.773 3 4 0 -7.69827521506635 20945341 CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC=CC=C2OC)C(=O)N3CCCC3 1 1.773 3 4 0 -10.4629250395152 20945335 CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)N4CCCC4 1 1.781 4 4 0 -16.3405207672219 20945334 CC1=C(C(=C(N1C)C)S(=O)(=O)NCCC2=CC=CC=C2)C(=O)N3CCCC3 1 2.111 3 3 -9.56504821676551 20945271 CC1=C(C(=C(N1)C)S(=O)(=O)NCCC2=CC=C(C=C2)SC)C(=O)N3CCCCC3 1 2.903 3 3 -6.30098913857628 20945265 CC1=CC=CC=C1CNS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C 1 2.526 3 3 -9.03164709128803 20945264 CC1=CC(=C(C=C1)C)CNS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C 1 3.012 3 3 -7.30735391553642 20945256 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCCCC2)C(=O)N3CCCCC3 1 1.58 3 3 0 -13.936137320096 20945252 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C 1 2.595 3 3 -11.2481599324124 20945247 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=C(NC(=C3C(=O)N4CCCCC4)C)C 1 2.691 3 3 -11.1655215513611 20945246 CC1=CC=C(O1)CNS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C 1 1.367 3 4 0 -8.75002959518637 20945245 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)N4CCCCC4 1 2.497 4 3 0 -11.8084996569713 20945244 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C(=O)N4CCCCC4 1 2.275 4 4 0 -12.7946772126296 20945242 CCN1CCN(CC1)S(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C 1 0.968 4 3 0 -15.5767419775052 20945241 CCOC1=CC=CC=C1NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C 1 2.365 3 4 0 -10.1304496521473 20945240 CC1=C(C(=C(N1)C)S(=O)(=O)NC2=CC(=C(C=C2)OC)Cl)C(=O)N3CCCCC3 1 2.681 3 4 0 -6.16215109246126 20945239 CC1=C(C(=C(N1)C)S(=O)(=O)NC2=C(C=CC(=C2)Cl)OC)C(=O)N3CCCCC3 1 2.681 3 4 0 -5.55842422087595 20945238 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C)F 1 2.725 3 3 -3.77222550338855 20945236 CC1=C(C(=C(N1)C)S(=O)(=O)NCC(C)C2=CC=CC=C2)C(=O)N3CCCCC3 1 2.68 3 3 -11.3800178737857 20945232 CC1=C(C(=C(N1)C)S(=O)(=O)NCC2=CC=C(C=C2)F)C(=O)N3CCCCC3 1 2.246 3 3 -6.32054360591164 20945230 CC1=C(C(=C(N1)C)S(=O)(=O)NCC2=CC(=CC=C2)OC)C(=O)N3CCCCC3 1 2.024 3 4 0 -7.45414798212653 20945229 CC1=C(C(=C(N1)C)S(=O)(=O)NCC2=CC=CC=C2OC)C(=O)N3CCCCC3 1 2.024 3 4 0 -10.2187978065753 20945225 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C(=O)N4CCCCC4 1 3.234 4 3 0 -6.78925972780209 20945223 CCCN1CCN(CC1)S(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C 1 1.492 4 3 0 -14.6910711602969 20945220 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)N4CCCCC4 1 2.032 4 4 0 -16.0963935342821 20945218 CC1=C(C(=C(N1)C)S(=O)(=O)NCCC2=CC=CC=C2)C(=O)N3CCCCC3 1 2.361 3 3 -9.32092098382569 20945217 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C)C 1 3.006 3 3 -5.76354764401889 20945215 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C)Cl 1 3.184 3 3 -4.05418552708341 20945214 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C)Br 1 3.268 3 3 -6.42114724599511 20945213 CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C 1 2.237 3 5 0 -9.72952949363419 20945212 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C)C 1 3.006 3 3 -7.33226038858079 20945211 CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C 1 3.074 3 3 -10.4531858352558 20945210 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C 1 3.006 3 3 -6.84123074373854 20945209 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C)Cl 1 3.184 3 3 -5.08377697547005 20945208 CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C 1 3.184 3 3 -4.86213111313815 20945207 CC1=C(C(=C(N1)C)S(=O)(=O)NC2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCCCC3 1 1.984 3 6 0 -11.1515120057298 20945203 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=C(NC(=C3C(=O)N4CCCCC4)C)C 1 3.442 4 3 0 -10.5614136978514 20945202 CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(NC(=C3C(=O)N4CCCCC4)C)C 1 3.264 4 3 0 -13.2509031012127 20945201 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=C(NC(=C3C(=O)N4CCCCC4)C)C)C 1 3.264 4 3 0 -9.29699350759434 20945199 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)N4CCCCC4 1 2.956 4 3 0 -7.97911585395026 20945195 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)N4CCCCC4 1 2.292 4 3 0 -12.6430141986276 20945193 CC1=CC=C(C=C1)CNS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C 1 2.526 3 3 -7.2207172257107 20945192 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)OC)C(=O)N4CCCCC4 1 2.275 4 4 0 -11.6519274856529 20945191 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)N4CCCCC4 1 2.275 4 4 0 -14.5756751271036 20945190 CC1=C(C(=C(N1)C)S(=O)(=O)NCC2=CC=C(C=C2)OC)C(=O)N3CCCCC3 1 2.024 3 4 0 -7.44538684052103 20945189 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)N4CCCCC4 1 2.314 3 3 -15.7229110169465 20945187 CC1=C(C(=C(N1)C)S(=O)(=O)NCC2=CC=CO2)C(=O)N3CCCCC3 1 1.222 3 4 0 -10.4141630922612 20945184 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C 1 1.339 3 5 0 -17.7505395346076 20945177 CC1=C(C(=C(N1)C)S(=O)(=O)NCCC2=CC(=C(C=C2)OC)OC)C(=O)N3CCCCC3 1 2.328 3 5 0 -12.9171870165593 20945164 CC1=C(C(=C(N1)C)S(=O)(=O)N(C)CC2=CC=CC=C2)C(=O)N3CCCCC3 1 2.246 3 3 -7.79566968014726 20945156 CC1=C(C(=C(N1)C)S(=O)(=O)NCC2=CC=C(C=C2)OC(C)C)C(=O)N3CCCC3 1 2.294 3 4 0 -8.29211040635161 20945153 CC1=C(C(=C(N1)C)S(=O)(=O)NCC2=CC=C(C=C2)N(C)C)C(=O)N3CCCC3 1 1.746 4 3 0 -9.33923849582147 20945150 CC1=CC(=C(C=C1)C)CNS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C 1 2.556 3 3 -6.95288540136834 20945146 CC1=C(C(=C(N1)C)S(=O)(=O)NC2=CC=CC=C2)C(=O)N3CCCC3 1 1.577 3 3 0 -5.10930820928239 20945145 CC1=C(C(=C(N1)C)S(=O)(=O)NC2=CC=CC=C2OC)C(=O)N3CCCC3 1 1.561 3 4 0 -8.98273038909919 20945144 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C 1 2.063 3 3 -3.27351876188157 20945143 CC1=C(C(=C(N1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC)C(=O)N3CCCC3 1 1.432 3 5 0 -8.0378308362811 20945141 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCCCC2)C(=O)N3CCCC3 1 1.123 3 3 0 -13.936137320096 20945140 CC1=C(C(=C(N1)C)S(=O)(=O)NC2=CC=CC=C2Cl)C(=O)N3CCCC3 1 2.241 3 3 -5.48146374555431 20945139 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C 1 2.063 3 3 -5.14095066524284 20945138 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C 1 2.269 3 3 -9.09693610788819 20945137 CC1=CC(=CC=C1)N(C)S(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C 1 2.269 3 3 -8.19599036603271 20945136 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C 1 2.138 3 3 -10.8936914182443 20945133 CC1=C(C(=C(N1)C)S(=O)(=O)NC2=C(C=C(C=C2)F)Cl)C(=O)N3CCCC3 1 2.447 3 3 -4.61231165396886 20945130 CC1=C(C(=C(N1)C)S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)N3CCCC3 1 0.61 4 5 0 -12.2014487713312 20945129 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)N4CCCC4 1 2.041 4 3 0 -11.4540311428033 20945128 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C(=O)N4CCCC4 1 1.819 4 4 0 -12.4402086984615 20945117 CC1=C(C(=C(N1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)(C)C)C(=O)N3CCCC3 1 2.721 3 3 -6.57645306830338 20945115 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C 1 1.017 3 5 0 -17.8212856476941 20945111 CC1=C(C(=C(N1)C)S(=O)(=O)NCC2=CC=C(C=C2)F)C(=O)N3CCCC3 1 1.789 3 3 0 -5.96607509174356 20945109 CC1=C(C(=C(N1)C)S(=O)(=O)NCC2=CC(=CC=C2)OC)C(=O)N3CCCC3 1 1.567 3 4 0 -7.09967946795845 20945108 CC1=C(C(=C(N1)C)S(=O)(=O)NCC2=CC=CC=C2OC)C(=O)N3CCCC3 1 1.567 3 4 0 -9.86432929240726 20945105 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C(=O)N4CCCC4 1 2.778 4 3 0 -6.43479121363401 20945101 CC1=C(C(=C(N1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C)C(=O)N3CCCC3 1 2.516 3 3 -7.86949600948818 20945099 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)N4CCCC4 1 1.576 4 4 0 -15.741925020114 20945097 CC1=C(C(=C(N1)C)S(=O)(=O)NCCC2=CC=CC=C2)C(=O)N3CCCC3 1 1.905 3 3 0 -8.96645246965761 20945091 CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=C(NC(=C3C(=O)N4CCCC4)C)C 1 2.699 4 3 0 -18.2337978796124 20945088 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C)Cl 1 2.727 3 3 -4.72930846130197 20945087 CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C 1 2.727 3 3 -4.50766259897007 20945086 CC1=C(C(=C(N1)C)S(=O)(=O)NC2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCCC3 1 1.528 3 6 0 -10.7970434915617 20945083 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=C(NC(=C3C(=O)N4CCCC4)C)C 1 2.986 4 3 0 -10.2069451836834 20945082 CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(NC(=C3C(=O)N4CCCC4)C)C 1 2.808 4 3 0 -12.8964345870447 20945081 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=C(NC(=C3C(=O)N4CCCC4)C)C)C 1 2.808 4 3 0 -8.94252499342626 20945079 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)N4CCCC4 1 2.5 4 3 0 -7.62464733978218 20945075 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)N4CCCC4 1 1.836 4 3 0 -12.2885456844596 20945073 CC1CCN(CC1)S(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C 1 1.375 3 3 0 -16.9102393696031 20945072 CC1CCCCN1S(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C 1 1.501 3 3 0 -12.6724053560758 20945071 CC1=CC=C(C=C1)CNS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C 1 2.07 3 3 -6.86624871154262 20945070 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)OC)C(=O)N4CCCC4 1 1.819 4 4 0 -11.2974589714848 20945069 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)N4CCCC4 1 1.819 4 4 0 -14.2212066129355 20945068 CC1=C(C(=C(N1)C)S(=O)(=O)NCC2=CC=C(C=C2)OC)C(=O)N3CCCC3 1 1.567 3 4 0 -7.09091832635295 20945062 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C 1 0.882 3 5 0 -17.3960710204395 20945058 CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C 1 1.781 3 5 0 -10.2113462519187 20945050 CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C(=O)N4CCCC4 1 2.5 4 3 0 -10.2052437987305 20945046 CC1=C(C(=C(N1)C)S(=O)(=O)NCC2=CC=C(C=C2)Cl)C(=O)N3CCCC3 1 2.248 3 3 -4.855953426622 20945045 CC1=C(C(=C(N1)C)S(=O)(=O)NCC2=CC=CC=C2Cl)C(=O)N3CCCC3 1 2.248 3 3 -8.70074468268068 20945041 CC1=C(C(=C(N1)C)S(=O)(=O)N(C)CC2=CC=CC=C2)C(=O)N3CCCC3 1 1.79 3 3 0 -7.44120116597919 20944881 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC(=O)NCCOC 1 1.804 3 4 0 -23.9407611044189 20944791 C1=CC=C(C(=C1)NC(=O)CN2C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C42)F 1 3.7 2 3 -6.72697227586524 20944799 COC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C42 1 3.478 2 4 -5.71667434098331 19726979 C=CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3CC3 1 3.083 4 1 -21.1222546499987 19711665 CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 3.948 3 4 0 -25.7445383805648 19688005 COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC 1 3.805 3 4 0 -26.5817486194917 19687998 CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 4.17 3 3 -24.4744185747558 19687995 CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.577 3 3 -26.3279818993799 19687986 COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC 1 3.805 3 4 0 -28.6253479629366 19687967 COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.821 3 3 -23.7081954230478 19687950 COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C)OC 1 2.023 3 4 0 -25.8853739480384 19687941 CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C 1 2.388 3 3 -23.7026099862844 19687937 CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)S(=O)(=O)C 1 3.028 3 2 -22.7415567573684 19687935 CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C)C 1 3.028 3 2 -22.9876185412804 19687934 CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C)C 1 3.028 3 2 -22.7713354400724 19687917 CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C 1 2.542 3 2 -20.6357750721031 19687916 CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C 1 2.542 3 2 -22.5234206254323 19687745 CCC1=C(C=CC(=C1)Br)NC(=S)NCCC2=CC=CC=C2 1 6.107 2 0 -8.54198966380553 19687241 CC1=CC(=C(C=C1)F)NC(=S)NC2=CC=CC3=CC=CC=C32 1 5.966 2 0 -2.70118428117681 19687026 CCOC1=CC=CC=C1NC(=S)NN2C=NN=C2 1 1.968 5 1 0 -9.52965151862971 19687020 C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NN2C=NN=C2 1 2.578 5 0 -6.06617168875915 19687017 COC1=CC(=C(C=C1)NC(=S)NN2C=NN=C2)OC 1 1.603 5 2 0 -9.77336432637549 19687016 CC1=C(C=C(C=C1)Cl)NC(=S)NN2C=NN=C2 1 2.786 5 0 -4.77998381931942 19687015 CC1=CC(=C(C=C1)NC(=S)NN2C=NN=C2)C 1 2.608 5 0 -7.96702711917349 19687007 CCC1=CC=CC=C1NC(=S)NN2C=NN=C2 1 2.578 5 0 -7.32498769571828 19686774 C1CC2=CC=CC=C2N(C1)C(=S)NC3CC3 1 3.886 2 0 -11.024154670886 19686723 CC1CC2=CC=CC=C2N1C(=S)NC3=CC(=CC(=C3)OC)OC 1 5.139 2 2 -12.5955872168217 19686716 CC1CC2=CC=CC=C2N1C(=S)NC3CCCC3 1 4.72 2 0 -10.5260755555631 19686705 CC1CC2=CC=CC=C2N1C(=S)NC3=C(C=CC(=C3)OC)OC 1 5.139 2 2 -10.4098726849889 19686688 CC1CC2=CC=CC=C2N1C(=S)NC3=CC(=CC=C3)OC 1 5.156 2 1 -9.46272285221492 19686655 CC(=O)C1=CC(=CC=C1)NC(=S)N2CCC3=CC=CC=C32 1 4.534 2 1 -14.3645080482124 19686640 C1CN(C2=CC=CC=C21)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-] 1 4.689 3 2 -13.3877750971813 19686609 C1=CC(=C(C=C1Br)Cl)NC(=S)NCC2=CC=NC=C2 1 4.358 3 0 -4.25032368700433 19685645 C1OC2=C(O1)C=C(C=C2)C(=O)NN/C=C/3\C=CC=CC3=O 1 0.775 2 4 0 -7.58831421688398 19682867 C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CC3=CC=CC=C3 1 0.705 4 2 0 -12.8111101858653 19679942 CC1=C(C=CC(=C1)F)NC(=S)NCCC2=CC=CC=C2 1 5.108 2 0 -8.9709491143639 19679937 CC1=C(C=CC(=C1)F)NC(=S)NC2CCCC2 1 4.606 2 0 -7.77786732993291 19677403 COC1=C(C=C(C=C1)NC(=S)NC2=CC=CC3=CC=CC=C32)OC 1 5.242 2 2 -10.0705361325867 19676483 C1CCC2=C(C1)N=C(S2)NC(=S)NC3CC3 1 2.917 3 0 -10.3414610014093 19675860 CC(C1=CC=C(C=C1)OC)NC(=S)NCC2=CC=C(C=C2)F 1 4.391 2 1 -6.35009688786062 19675774 CC(C1=CC(=CC=C1)OC)NC(=S)NCC2=CC=C(C=C2)F 1 4.391 2 1 -7.07250358565201 19675502 CC(C)C1=CC=C(C=C1)C(C)NC(=S)NC2CCCCC2 1 5.671 2 0 -7.10599815052654 19675517 CC(C)C1=CC=C(C=C1)C(C)NC(=S)NCC2=CC=C(C=C2)F 1 5.602 2 0 -5.53266631380642 19675428 CCC(C1=CC=C(C=C1)C)NC(=S)NCC2=CC=C(C=C2)F 1 5.417 2 0 -6.31831381091773 19675411 CCC(C1=CC=C(C=C1)C)NC(=S)NC2CCCCC2 1 5.486 2 0 -7.89164564763785 19675344 CCC(C1=CC=CC=C1)NC(=S)NCC2=CC=C(C=C2)F 1 4.931 2 0 -8.13401971637285 19675254 CC1=CC(=C(C=C1)C(C)NC(=S)NC2CCCCC2)C 1 5.449 2 0 -8.80513067875427 19675174 CC1=CC(=C(C=C1)C)C(C)NC(=S)NC2CCCCC2 1 5.449 2 0 -9.28378351051778 19675102 CCC1=CC=C(C=C1)C(C)NC(=S)NCC2=CC=C(C=C2)F 1 5.35 2 0 -6.5932687926024 19675085 CCC1=CC=C(C=C1)C(C)NC(=S)NC2CCCCC2 1 5.419 2 0 -7.74990065121569 19675004 CC1=C(C=C(C=C1)C(C)NC(=S)NC2CCCCC2)C 1 5.449 2 0 -7.67283245017137 19661865 C1CCN(C1)CCOC2=CC(=CC=C2)Cl.Cl Cl- 1 3.077 1 1 4.85312625976282 19655129 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.96 5 2 0 -10.0263209592481 19654878 CCN1CCN(CC1)C(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC 1 4.66 3 2 -14.0914208978039 19654295 CC1CN(CC(O1)C)C(=S)NC2CCCC2 1 3.038 2 1 -13.0790877994385 19654289 CC1CN(CC(O1)C)C(=S)NC2=C(C=C(C=C2)Br)Cl 1 4.903 2 1 -9.42941742336015 19654281 CC1CN(CC(O1)C)C(=S)NC2=CC(=CC(=C2)C)C 1 4.463 2 1 -13.6313432558821 19654280 CC1CN(CC(O1)C)C(=S)NC2=CC(=C(C=C2)C)C 1 4.463 2 1 -13.4150601546741 19654276 CC1CN(CC(O1)C)C(=S)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.385 3 3 -15.6346151373928 19654240 C1CN(CCC1NC(=S)NC2=CC(=CC(=C2)Cl)Cl)CC3=CC=CC=C3 1 5.535 3 0 -2.13240502145725 19654238 C1CN(CCC1NC(=S)NC2=C(C(=CC=C2)Cl)Cl)CC3=CC=CC=C3 1 5.535 3 0 -2.31521350484861 19654179 C=CCNC(=S)N1CCC(CC1)CC2=CC=CC=C2 1 4.467 2 0 -10.9327395305315 19654178 CC(C)CNC(=S)N1CCC(CC1)CC2=CC=CC=C2 1 5.042 2 0 -8.1840539732302 19654177 CCNC(=S)N1CCC(CC1)CC2=CC=CC=C2 1 4.199 2 0 -7.35207653847541 19654176 CCCNC(=S)N1CCC(CC1)CC2=CC=CC=C2 1 4.723 2 0 -9.15746892708517 19654128 C1CCCN(CC1)C(=S)NC2=CC=CC=C2C(F)(F)F 1 5.363 2 0 -9.92071668974271 19654122 CC1=C(C=C(C=C1)Cl)NC(=S)N2CCCCCC2 1 5.572 2 0 -8.63452882030298 19654112 CCC1=CC=CC=C1NC(=S)N2CCCCCC2 1 5.364 2 0 -11.1795326967018 19653821 CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)C 1 4.66 3 2 -12.0233943559688 19653712 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCOCC2 1 2.613 3 4 0 -16.8538412707121 19653703 CC1=C(C(=C(S1)NC(=S)N2CCCCC2)C(=O)OC)C3=CC=CC=C3 1 5.271 2 2 -15.2418013692218 19653640 COC1=CC(=CC(=C1)NC(=S)N2CCCC2)OC 1 3.476 2 2 -13.627221383375 19653631 C1CCN(C1)C(=S)NC2=C(C=C(C=C2)Br)Cl 1 4.921 2 0 -6.52754014409501 19653630 CC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC2 1 3.249 2 1 -14.8531894168343 19653625 C1CCN(C1)C(=S)NC2=C(C=C(C=C2)Cl)Cl 1 4.837 2 0 -6.8722429485668 19653624 C1CCN(C1)C(=S)NC2=C(C(=CC=C2)Cl)Cl 1 4.837 2 0 -8.79179748726427 19653623 C1CCN(C1)C(=S)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.403 3 2 -12.7327378581276 19653622 CCC(C)C1=CC=C(C=C1)NC(=S)N2CCCC2 1 5.159 2 0 -10.3753226855773 19653621 CCCCC1=CC=C(C=C1)NC(=S)N2CCCC2 1 5.364 2 0 -11.0884086274734 19653619 CCC1=CC=C(C=C1)NC(=S)N2CCCC2 1 4.451 2 0 -10.5047061965479 19650532 CC(=O)C1=CC(=CC=C1)NC(=S)NC2CCCCCCC2 1 5.022 2 1 -10.8645253912003 19650505 C1CCCC(CCC1)NC(=S)NC2=CC(=CC=C2)F 1 5.488 2 0 -5.62931697717993 19650185 C1=CC=C(C=C1)CCCCNC(=S)NCC2=CC=CC=C2 1 5.058 2 0 -10.9122767475912 19650086 C1=CC=C(C=C1)CCCNC(=S)NC2=CC=C(C=C2)Br 1 5.621 2 0 -9.10957750902269 19650010 C1=CC=C(C=C1)CNC(=S)NCCC2=CC(=CC=C2)Cl 1 4.81 2 0 -6.0605115822292 19649515 COC1=CC=C(C=C1)CNC(=S)NC2CCCCC2 1 4.083 2 1 -9.24070777131398 19648710 CSC1=CC=CC=C1NC(=S)NC2CCCC2 1 4.456 2 0 -11.6942011707639 19621778 COC1=C(C=CC(=C1)CO)OCC(=O)NC2=CC=CC3=CC=CC=C32 1 2.737 1 4 -10.6701943777234 19621591 C1CC(N(C1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)Cl)Cl)C(=O)O 1 4.838 3 2 3.56242232902359 19617286 CC1=CC(=C(C(=O)N1)C(=O)/C(=C/C2=C(C(=CC=C2)OC)OC)/C)C 1 2.872 1 4 -14.7160168101743 19615543 CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C)Br 1 2.142 4 2 -9.85709270746329 19615542 CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C)Cl 1 2.058 4 2 -8.94732021398982 19614760 C1=CC=C(C=C1)C2=CC3=C(O2)C=C(C=C3N)[N+](=O)[O-] 1 3.091 2 3 3.77049345013213 20752246 CC(=O)N1CCC(CC1)CCCC2CCN(CC2)C(=O)C 1 1.582 2 2 0 -4.44882828799997 20437422 C1CN(CCN1)CC2=CC=C(C=C2)Cl.Cl Cl- 1 1.989 2 0 0 0.713133209814567 20425690 C1=CC=C2C(=C1)C=NN2CC3=CC(=CC=C3)Cl 1 3.927 2 0 7.63560017542412e-002 20425687 C1=CC=C2C(=C1)C=NN2CC3=C(C=CC=C3Cl)F 1 4.133 2 0 -2.59014131695631 20417840 CC1=CC(=CC(=C1)CC(CC(=O)NC2=CC=C(C=C2)Cl)C(=O)O)C 1 4.383 1 3 -5.49010030693848 20417838 CCOC1=CC=C(C=C1)NC(=O)CC(CC2=CC(=CC(=C2)C)C)C(=O)O 1 4.051 1 4 -8.49128835837746 20417785 CCOC1=CC=C(C=C1)NC(=O)CC(CC2=CC=C(C=C2)Cl)C(=O)O 1 3.743 1 4 -4.68651417018964 20417758 CC1=CC=C(C=C1)CC(CC(=O)NCCC2=CC(=C(C=C2)OC)OC)C(=O)O 1 3.528 1 5 -13.7433013781065 20415835 C1=CC(=C(C(=C1)Cl)CSC2=C(C(=S)NC(=N2)N)C#N)Cl 1 3.916 4 0 -8.35785987282652 20414109 CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC3=CC=CC=C32 1 5.015 2 1 -9.32833873961922 20413440 CC1=C(C=CC(=C1)Br)NC(=S)NC2CCCC2 1 5.148 2 0 -8.4797133134805 20412979 CC(C)(C)C1=CC=CC=C1NC(=S)NC2CCCC2 1 5.314 2 0 -7.26014943554401 20412814 CCCCC1=CC=CC=C1NC(=S)NC2CCCC2 1 5.769 2 0 -9.28450570136653 20411478 C1COC2=C(O1)C=CC(=C2)NC(=S)NC3=CC=C(C=C3)Br 1 4.901 2 2 -7.45270535701568 20411474 C1COC2=C(O1)C=CC(=C2)NC(=S)NC3=CC(=CC=C3)Cl 1 4.817 2 2 -5.28868451956587 20411473 C1COC2=C(O1)C=CC(=C2)NC(=S)NC3=CC=C(C=C3)Cl 1 4.817 2 2 -5.99604561191425 20411223 COC1=CC=CC(=C1)NC(=S)NC2=CC=CC3=CC=CC=C32 1 5.258 2 1 -5.22044533218966 20410336 CC1=CC(=CC(=C1)NC(=S)NC2=CC=CC3=CC=CC=C32)C 1 6.247 2 0 -5.12918138238383 20409405 C1=CC=C2C(=C1)C=CC=C2NC(=S)NC3=CC(=C(C=C3)F)F 1 5.686 2 0 -3.90457819467581 20408945 C1=CC=C2C(=C1)C=CC=C2NC(=S)NC3=CC(=CC=C3)F 1 5.48 2 0 -3.37317885210273 20390661 CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC=CC=C4F 1 3.578 2 2 1.23961420268521 19114492 CC1=CC=CC=C1OCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCCCC3 1 4.011 2 3 -15.0555731107641 19059861 CC1=C(C=C(C=C1)C(=O)N2CCCCC2)S(=O)(=O)N3CCCC3 1 2.225 2 3 -17.7072880343357 20182170 C1=CC(=CN=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.476 4 3 0 -17.6608618954099 20180763 COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC 1 3.599 3 4 0 -30.233234627638 20180753 C1CN(CCN1C(=S)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 3.526 4 4 0 -27.056529839575 20180752 C1CN(CCN1C(=S)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 3.526 4 4 0 -26.9975136659623 20180749 C1CN(CCN1C(=S)NC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3 1 4.38 3 2 -24.5377769331197 20180747 C1CN(CCN1C(=S)NC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3 1 4.296 3 2 -23.5103590524324 20179921 CC1=CC=C(C=C1)CNC(=S)NC2CCC(CC2)C(C)(C)C 1 5.751 2 0 -10.6642965849328 20179920 CC(C1=CC=CC=C1)NC(=S)NC2CCC(CC2)C(C)(C)C 1 5.643 2 0 -11.1627234436547 20179657 CC(C1=CC=C(C=C1)C(C)(C)C)NC(=S)NC2CCCCC2 1 5.877 2 0 -4.9323283663253 20179591 CCC(C1=CC=C(C=C1)C(C)C)NC(=S)NCC2=CC=C(C=C2)F 1 6.125 2 0 -6.05378106707623 20173952 CC1=C(C=CC(=C1)OC(F)F)NC(=S)NC2CCCC2 1 5.206 2 1 -7.99326270757841 20172461 CC(C1=C(C=CC(=C1)OC)OC)NC(=S)NC2CCCCC2 1 4.444 2 2 -10.9532652041838 20168452 CCC(C)C1=CC=C(C=C1)C(C)NC(=S)NC2CCCCC2 1 6.127 2 0 -7.49951247198661 20168367 CCCC1=CC=C(C=C1)C(C)NC(=S)NC2CCCCC2 1 5.875 2 0 -6.35485172590418 20180773 CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 3.372 3 3 -28.033262790606 20180780 C1CCC(C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 3.179 3 2 -24.7396244209915 20180784 COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC 1 3.599 3 4 0 -28.1896352841931 20116602 CC1CCC(CC1)NS(=O)(=O)C2=CN=C(C=C2)Cl 1 2.574 2 2 -11.3012208865904 20111252 CC1CCCN(C1)C2=NC(=O)/C(=C/C3=C(C=CC(=C3)OC)OC)/S2 1 3.612 2 3 -6.39778786674323 20108742 CCCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=C(C=C(C=C3)C)C 1 3.171 2 4 -4.46195881410185 20108740 CCCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F 1 3.226 2 4 -4.04203889938893 20108738 CCCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)C4CCCCC4 1 4.39 2 4 -3.28756529154223 20108737 CCCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(S3)Cl 1 2.444 2 4 -1.30670511301212 20108736 CCCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=CS3 1 1.985 2 4 0 -7.1215224664537 20108735 CCCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C 1 3.599 2 4 -3.32888458216585 20108732 CCCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)Br 1 2.947 2 4 -5.54167978579178 20108728 CCCNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)COC3=CC=C(C=C3)Cl 1 2.996 2 4 -6.04738196414142 20108716 CCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(S3)Br 1 2.03 2 4 -5.45982881778742 20108704 CCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.57 3 6 0 -8.65660627048156 20098684 CNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(S3)Br 1 1.681 2 4 0 -5.60220806128306 20098624 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)Cl)C 1 2.461 4 3 0 -8.95712314832563 20098615 CCOC1=C(C=C(C=C1)CNS(=O)(=O)C2=C(N=C3N(C2=O)C(=CS3)C)C)OC 1 1.423 3 5 0 -17.4634391674104 20098611 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C 1 1.254 5 5 0 -18.5840894858488 20098610 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)C 1 1.565 4 3 0 -15.9164803519775 20098608 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=C(N=C4N(C3=O)C(=CS4)C)C 1 2.51 4 3 0 -14.6693943928576 20098607 CCC(CC1=CC=CC=C1)NS(=O)(=O)C2=C(N=C3N(C2=O)C(=CS3)C)C 1 2.33 3 3 -13.9674658943635 20098606 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC)C 1 1.396 3 5 0 -17.1297158154476 20098603 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C 1 1.565 4 3 0 -15.7778146730263 19916756 C1=CC(=CC(=C1)F)NC(=O)NC2=NC=CN=C2 1 0.966 4 1 0 -1.58766138074589 19867937 CC(C(=O)OC)NC(=O)C1CCCN1C(=O)CNC(=O)OCC2=CC=CC=C2 1 0.713 3 6 0 -20.981341756024 19841210 COC1=CC(=CC(=C1OC)OC)CN2CCNCC2.Cl Cl- 1 1.275 2 3 0 -6.35781137559883 19807233 C1CNCC2=C1C3=C(N2)C=CC(=C3)Cl.Cl Cl- 1 2.478 2 0 4.77122792957447 19798339 COC1=CC(=C(C=C1)NC(=O)NCC2=CC3=C(C=C2)OCO3)OC 1 2.265 2 5 0 -12.0240563911939 18532502 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)NC(C)C2=CC=CS2 1 2.315 3 3 -13.5376917700715 18530448 C1COCCN1CCOC(=O)C2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 2.84 1 3 -1.38926109575318 18530424 CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCCC2)O.Cl Cl- 1 3.303 1 2 0.290307494869233 18530265 C[C@]12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C 1 1.217 0 5 0 -4.30849396540668 18530123 COC1=CC=CC=C1N2C(=NC(=NC23CCCCC3)N)N.Cl Cl- 1 2.333 5 1 5.48475355579281 18528944 CC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.619 1 1 2.58671708242343 18528136 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O.O H2O 1 0.952 4 5 0 -11.8606482203416 18524667 COCC(=O)NC1=CC2=C(C=C1)N(C(=O)CO2)CC3=CC=CC=C3F 1 1.471 2 4 0 -9.65863645162799 18524425 CC1=CC2=C(C=C1)C=C(C(=O)N2)CNCCC3=CC(=C(C=C3)OC)OC 1 3.108 2 3 -6.780296529411 18524305 C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)O 1 2.559 1 4 -8.95422158518803 18524033 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CCC4=C(ON=C4C)C)C 1 4.079 4 2 -13.9067385056915 18524032 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4=NC=CN=C4)C 1 2.833 5 1 -2.93187210426367 18524031 CC1=C(C(=NO1)C)CCC(=O)NC2CC(CC3=C2C=NN3C4=CC=C(C=C4)OC)(C)C 1 3.548 4 3 0 -24.7344271189732 18524029 CC1(CC(C2=C(C1)N(N=C2)C3=CC=C(C=C3)F)NC(=O)C4CCC4)C 1 3.947 3 1 -7.69405247304838 18524028 CC1(CC(C2=C(C1)N(N=C2)C3=CC=C(C=C3)F)NC(=O)COC)C 1 2.469 3 2 -12.099034951645 18524027 CC1=CC=C(C=C1)N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)CN4CCCC4=O 1 2.534 4 2 -24.2861598028533 18502834 C[C@]12CC[C@H](C1(C)C)C[C@@H]2OC(=O)C[N+]3(CCOCC3)C.[I-] I- 1 0.693 1 3 0 -7.47619154526638 18473135 CCOC1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=CC=C3 1 2.297 2 3 -11.7640933317804 19591265 C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 2.322 3 5 0 -12.2606692238234 19591213 C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)NC3=C(C=CC(=C3)F)F 1 2.175 2 3 -10.3298779986764 19590639 CN1C(/C(=C(\C2=CC=C(C=C2)Br)/O)/C(=O)C1=O)C3=CC=C(C=C3)N(C)C 1 3.286 2 3 -5.51933963923513 19590631 CN1C(/C(=C(\C2=CC=C(C=C2)Br)/O)/C(=O)C1=O)C3=CC(=C(C=C3)OC)OC 1 3.091 1 5 -8.2239137855477 19590627 CN1C(/C(=C(\C2=CC=CC=C2)/O)/C(=O)C1=O)C3=CC(=C(C=C3)OC)OC 1 2.343 1 5 -9.38490029854242 19589550 CC1CCN(CC1)C(=O)/C(=C\C2=CC=CC=C2)/C 1 3.327 1 1 -10.7252748602669 19587776 CC1=C2C(=CC(=O)N=C2N(N1)C3=CC=CC=C3)C(F)F 1 1.727 3 1 0 -4.82593469357055 19585710 CC1=C(C=NN1C)C2=NC3=CC=CC=C3N2 1 2.066 4 0 2.56412068234893 19585414 CC1=C(SC(=C1)C(=O)NCC2CCCO2)C 1 1.981 1 2 0 -11.602699033066 19585413 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=C(S2)C)C 1 2.864 2 3 -10.0612210766825 19585268 CC1=C(SC(=C1)C(=O)NCC2=CC=CO2)C 1 2.388 1 2 -9.14272551785317 19584653 COC1=CC=CC=C1NC(=O)CSC2=NC=CC(=N2)C3=CC=CO3 1 3.076 3 3 -10.8769823301119 19584199 CC1=CC(=C(C=C1)OC(F)F)N2C(=O)C3C4CCC(C3C2=O)O4 1 2.31 1 4 -8.28129535034955e-002 19583554 CC1=CC=C(C=C1)S(=O)(=O)N(C)C(C)CCC2=CC=CO2 1 3.145 1 3 -3.7588543281943 19583486 CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC(=C(C=C2)F)F 1 1.173 2 3 0 -9.09083860749175 19583470 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)S(=O)(=O)C 1 0.64 3 6 0 -15.1036166877792 19583172 C1=CC=C2C(=C1)C3=NC(=NN3C=N2)C4=CC=CC=C4Br 1 3.702 4 0 -2.47083165405358 19583106 C1CC1NC(=S)SCC2=CC=CO2 1 2.923 1 1 -2.41421420241365 19582706 CC1=CC=CC(=C1)C(=O)NC2CC3CCC(C2)N3C 1 2.153 2 1 -4.65243232109681 19582487 CC1=CC=C(C=C1)CONC(=O)C2=CC(=CC=C2)C 1 3.439 1 2 5.18473793761065e-002 19581648 CC1=CC=C(C=C1)CONC(=O)C2=CC=C(C=C2)Cl 1 3.618 1 2 2.16061379937611 19580860 CC1=CC=CC=C1N2C(=O)C3CCCN3C2=S 1 3.334 2 1 -2.2843468471074 19580852 CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CCCN3C2=S 1 3.052 2 3 -7.105312943001 19580820 CCOC1=CC=C(C=C1)N2C(=O)C3CCCN3C2=S 1 3.18 2 2 -2.95486915368982 19580397 C1CC2C(=O)N(C(=S)N2C1)C3=C(C=CC(=C3)Cl)Cl 1 4.177 2 1 2.29841192441712 19579626 C1CCC(C1)C(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.666 4 6 0 -7.2849205361323 19578010 C1=CC=C(C=C1)P(=O)(CC2=CC(=CC=C2)N)C3=CC=CC=C3 1 4.237 1 1 -2.15205453025049 19574900 CCOC1=C/C(=C/NNC(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43)/C=CC1=O 1 2.546 2 4 -1.08435233137921 19574111 C1CCCC(CC1)NC(=O)C2=CC3=CC=CC=C3OC2=N 1 3.437 2 2 -7.29215304283336 19574079 CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=N 1 3.748 2 2 -5.53219915701933 19574076 CCOC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC(C)C3=CC=CC=C3 1 3.416 2 3 -11.4582270455712 19574072 COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=CC=C3)O)OC2=N 1 2.447 2 4 -7.28140373209282 19574068 CCOC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NCC3=CC=C(C=C3)OC 1 3.022 2 4 -11.8739298103089 19574067 COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=N 1 2.673 2 4 -10.4976110443128 19574061 CCOC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NCC3=CC=C(C=C3)Cl 1 3.702 2 3 -9.71000785921301 19574060 COC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NCC3=CC=C(C=C3)Cl 1 3.354 2 3 -8.43141899349123 19574052 CCOC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NCC3=CC=C(C=C3)C 1 3.524 2 3 -11.5320065497998 19574051 CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=N 1 3.175 2 3 -10.2534176840781 19574050 CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=N 1 3.94 2 2 -8.6489709779409 19574046 C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=N 1 3.454 2 2 -9.4637858827205 19553861 CC1=CC(=NN1CCC(=O)NC2=CC3=C(C=C2)OCCO3)C 1 1.578 3 3 0 -17.7877376111671 19412906 CCCNC(=O)C1=CC=C(O1)COC2=CC=CC3=CC=CC=C32 1 3.859 1 3 -9.70533386131222 19293679 CC1=CC(=NN1CCCNC(=O)C2=CC=CO2)C 1 1.222 3 2 0 -15.0948345121457 19289050 CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NCC3=CC=C(C=C3)F 1 3.771 3 2 -11.7408204779841 19289048 CCOC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NCC3=CC=C(C=C3)F 1 3.244 2 3 -10.8201295243346 19289047 COC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NCC3=CC=C(C=C3)F 1 2.895 2 3 -9.5415406586128 19289046 C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=N)F 1 3.66 2 2 -7.93709395247565 19288941 CC1=CC=C(C=C1)C(C)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=N 1 4.318 2 2 -6.66209134173237 19260084 COC1=CC=C(C=C1)NC(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O 1 1.744 3 6 0 -18.042624970012 19257420 CC1=NC(=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.863 3 3 0 -18.1883450032705 19191752 CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC3=CC=C(C=C3)C(=O)N 1 2.452 2 5 0 -17.1353507609716 19167865 CCC1=CC=C(C=C1)NC(=O)N2CCCCCC2 1 3.468 2 1 -5.64202210239163 19154845 CC(COC)NC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O 1 2.223 1 4 -11.9145568695261 17928035 CC(C)CC1=CC=CC=C1S(=O)(=O)N 1 2.185 1 2 -4.18400773924362 17838287 C1=CC(=C(C=C1Cl)Cl)NC(=O)NC2=CC=NC=C2 1 2.701 3 1 -1.88799289793133 17838235 C1=CC(=C(C=C1Cl)Cl)CC(=O)NC2=CC=NC=C2 1 2.827 2 1 -2.71871896506928 18968508 CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N.Cl Cl- 1 5.924 10 0 0 -6.48962103734091 18889437 CCCCN1C2=C(C=CC=C2C)C3(C1=O)OCCCO3 1 2.602 1 3 -6.26128313916801 18889388 CN1C2=CC=CC=C2C3(C1=O)OCCCO3 1 0.787 1 3 0 -3.83203434235526 18847567 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)N=CN3)F 1 1.592 4 2 0 -9.61752373327301 18807513 C1=CC(=CC=C1NC(=O)NN2C=NN=C2)Br 1 0.889 5 1 0 -3.95908824377305 18807511 C1=CC=C(C(=C1)NC(=O)NN2C=NN=C2)Cl 1 0.805 5 1 0 -5.45100174276133 18778074 CC(C)(C)NC(=O)NC(=O)C[N+]1=CC=C(C=C1)CC2=CC=C(C=C2)[N+](=O)[O-].[Cl-] Cl- 1 3.074 4 4 0 -13.9089355040516 18777908 C1CCC2=C(CC1)SC(=C2)C(=O)OCC(=O)NC3CCS(=O)(=O)C3 1 2.045 1 5 -20.7641576332579 18777891 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC=CS2 1 1.287 2 5 0 -19.5521203508934 18777887 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC=C(O2)Br 1 1.297 2 6 0 -17.6926103987554 18777886 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.285 2 8 0 -21.4695844062547 18777882 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=C(N=CC=C2)Cl 1 1.057 3 5 0 -16.9141224891393 18777881 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C23CC4CC(C2)CC(C4)C3 1 2.225 2 5 0 -15.4822647099459 18777862 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(S2)CCCCC3 1 2.251 1 5 -21.8576403325788 18777768 CC1=CC(=NC2=NC(=NN12)SC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C)C 1 2.109 6 2 0 -16.0829261803661 18777764 CC(C)(C)NC1=NN=C(CS1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.112 4 2 -20.0611118550189 18777474 C1CS(=O)(=O)CC1NC(=O)COC2=C(C=C(C=C2)Br)Br 1 1.877 1 4 0 -11.6833527843479 18775440 C1CN(CCN1C(=O)CNC(=O)C2=CC=C(O2)Br)S(=O)(=O)C3=CC=CC=C3 1 0.851 3 5 0 -26.6049503145523 18775358 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 2.043 4 4 0 -15.6499928326881 18775359 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C 1 0.583 3 7 0 -23.8248865834268 18775368 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=CC=CS3 1 1.381 4 5 0 -10.3372990671872 18775382 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CSC3=CC=CC=C3 1 1.702 4 5 0 -14.2926927758917 18775228 C1CCN(CC1)CC2=NN=C(O2)C3=CC=CC=C3.Cl Cl- 1 2.313 3 1 -7.93556486711056e-003 18775046 C1C(N(N=C1C2=CC=CS2)C(=O)C3=CC=CO3)C4=C(C=CC(=C4)[N+](=O)[O-])O 1 3.417 3 5 0 -3.98381823099314 18774809 COCCN1C(=O)/C(=C\NNC(=O)CSC(=S)N2CCCC2)/C(=O)NC1=S 1 0.774 5 4 0 -12.6660323174116 18774714 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)[C@H](C)NC(=O)C3=CC=CO3 1 2.068 3 6 0 -15.4615119049811 18774522 C1CN(CCN1CC(COC2=CC=C(C=C2)Cl)O)C3=CC=CC=C3.Cl Cl- 1 3.735 2 2 2.42571657095009 18774024 COC1=C(C(=CC(=C1)[N+](=O)[O-])/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3)O 1 4.266 2 5 0 -0.842326170654838 18773922 C1=C(OC(=C1)Br)/C=C/2\C(=O)NC(=O)S2 1 1.905 1 3 0 2.11981734743341 18773910 COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)OC(=O)C3=CC=CO3 1 3.339 1 7 0 -16.3291249069599 18772683 C1=CC=C2C(=C1)NC(=C(/C=C\3/C=CC(=O)C(=C3)O)C#N)N2 1 2.105 3 2 -5.58025055240869 18777118 CC1(C(=O)N(C(=O)N1)CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl 1 2.764 2 5 0 -5.18575210393555 18777091 C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)OC(=O)C4=NC=CN=C4 1 3.08 3 3 -9.79045937546752 18776953 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC(=C(C=C2)OC)OC)C3=CC=CC4=CC=CC=C43 1 2.595 3 5 0 -13.8937365273343 18776936 CN(C)C(=O)CN1C(=O)C2(CCCC3=CC=CC=C32)NC1=O 1 0.98 3 3 0 -4.82300241144374 18776708 CC(C)CN1C(=O)C2(CCCC3=CC=CC=C32)NC1=O 1 2.906 2 2 -3.3663591688464 18776206 CCN(CC(C1=CC(=CC=C1)O)O)C(=O)C23CC4CC(C2)CC(C4)C3.Cl Cl- 1 3.314 1 3 -2.06487167622013 18648741 C[C@H](CC1=CN=CN1)N.Cl Cl- 1 -0.474 3 0 0 1.27874360534836 18593643 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NCCCN(C)C.Cl Cl- 1 3.57 4 0 11.9226113987667 18593578 CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC=C3OC)C.[Cl-] Cl- 1 7.505 2 4 -8.94859671730165 18592741 CC1CCCCN1CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl 1 5.031 4 2 -10.248464369877 18592740 CC1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl 1 4.905 4 2 -10.5851715683803 18592608 COCCNC1=NC2=C(N=NN2C3=CC=CC=C31)C4=CC(=CC=C4)C(F)(F)F 1 3.257 5 1 1.3108839432207 18592585 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)OC)O)OC)CS(=O)(=O)C3=CC=C(C=C3)C 1 2.451 2 8 0 -27.0617763227099 18592101 COC1=C(C=C(C=C1)S(=O)(=O)CC2=C(C(NC(=O)N2)C3=CC(=C(C=C3)O)OC)C(=O)OC)OC 1 1.599 2 9 0 -30.0615230011393 18592098 COC1=C(C=C(C=C1)Cl)S(=O)(=O)CC2=C(C(NC(=O)N2)C3=CC(=C(C=C3)O)OC)C(=O)OC 1 2.28 2 8 0 -22.7394751668903 18591697 COC1=CC=CC(=C1)N2C=CN(C(=O)C2=O)CC(=O)NCCC3=CC=CC=C3 1 0.885 3 4 0 -13.6747313519782 18590989 C1CC(=O)N(C1)CCCNC2=NC3=C(N=NN3C4=C2C=C(C=C4)Cl)S(=O)(=O)C5=CC=CC=C5 1 2.521 6 3 0 -21.9113630594078 18590901 CC1=CC=C(C=C1)CNC(=O)CN2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)Br)N 1 2.481 6 2 0 -23.6627041398256 18590860 CC1=C(C(=CC=C1)NC(=O)C2=C(N(N=N2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC)N)C 1 2.507 6 4 0 -26.7510014442749 18590799 C1CN(CCC1NC2=NC3=C(N=NN3C4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5)CC6=CC=CC=C6 1 3.835 6 2 0 -11.7311274195708 18590609 CCOC(=O)C1=CN=C2C(=C1N3CCN(CC3)C)C=CC=C2C(F)(F)F.Cl Cl- 1 3.282 3 2 0.134117696080218 18590577 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N(CCOC)CCOC.Cl Cl- 1 3.313 3 2 5.2091336280599 18590464 CC1=C(C=C(C=C1)S(=O)(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)N5CCC(CC5)C(=O)N)C 1 2.793 6 3 0 -10.5173319923041 18590459 CC1=C(C=C(C=C1)S(=O)(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)N5CCN(CC5)C6=CC=CC=N6)C 1 4.337 7 2 0 -8.86856848580193 18590303 CC1=CC=C(C=C1)S(=O)(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)N5CCN(CC5)C6=CC=CC=N6 1 3.85 7 2 0 -9.07159388802023 18590285 CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCOCC4)C 1 2.915 2 4 -8.4779767320362 18589045 C1COCCN1C(CNC(=O)C2=CC=CO2)C3=CC=C(C=C3)F 1 2.077 2 3 -13.291599693131 18588968 COC1=C(C=C(C(=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3)[N+](=O)[O-])OC 1 2.185 3 6 0 -17.5987648760401 18588960 CN(C)C(CNC(=O)C1=CC=CO1)C2=CC=CS2 1 2.03 2 2 -4.90835743686987 18583503 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCC3=NNC(=O)C4=CC=CC=C43)C 1 1.802 4 3 0 -20.0530061274368 18583502 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=NNC(=O)C4=CC=CC=C43 1 1.493 4 3 0 -18.3526945013907 18583500 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=NNC(=O)C4=CC=CC=C43 1 0.813 4 4 0 -20.5876594011216 18583499 COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCC3=NNC(=O)C4=CC=CC=C43 1 0.813 4 4 0 -19.9916909178789 18583498 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=NNC(=O)C4=CC=CC=C43 1 1.315 4 3 0 -20.1746931919775 18583497 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NCC3=NNC(=O)C4=CC=CC=C43 1 0.829 4 3 0 -20.6044093841321 18583489 CCCC(=O)N(CCN1CCOCC1)C2=NC3=C(S2)C=C(C(=C3)C)C.Cl Cl- 1 3.703 3 2 -9.01496237186883 18583443 CCCC(=O)N(CCN1CCOCC1)C2=NC3=C(C=CC(=C3S2)C)OC.Cl Cl- 1 3.201 3 3 -9.16688501826195 18583420 CCCC(=O)N(CCN1CCOCC1)C2=NC3=C(C=CC(=C3S2)OC)OC.Cl Cl- 1 2.698 3 4 0 -9.86805519379853 18583388 CCCC(=O)N(CCN1CCOCC1)C2=NC3=C(C=CC(=C3S2)C)C.Cl Cl- 1 3.703 3 2 -8.06701369541288 18583358 CCCC(=O)N(CCN1CCOCC1)C2=NC3=C(C=C(C=C3S2)F)F.Cl Cl- 1 3.142 3 2 -6.58168399317837 18583212 CC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)CCS(=O)(=O)C4=CC=CC=C4.Cl Cl- 1 3.384 3 4 0 -11.0017397320347 18583082 CCCC(=O)N(CCN1CCOCC1)C2=NC3=C(C=CC=C3S2)OCC.Cl Cl- 1 3.063 3 3 -12.2032607192923 18583057 CC1=C2C(=CC=C1)SC(=N2)N(CCN3CCOCC3)C(=O)CCS(=O)(=O)C4=CC=CC=C4.Cl Cl- 1 3.384 3 4 0 -11.6299552838072 18583053 CCCC(=O)N(CCN1CCOCC1)C2=NC3=C(C=CC=C3S2)C.Cl Cl- 1 3.217 3 2 -7.29956218830381 18583028 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CCN2CCOCC2)C3=NC4=CC=CC=C4S3.Cl Cl- 1 3.384 3 4 0 -10.8316897489225 18582866 CC1CC2=CC=CC=C2N1C(=O)C3=CC4=C(N=CC=C4)N(C3=O)C 1 2.249 3 2 -10.0900019226394 18582861 CC1CCCCC1NS(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 1.966 2 5 0 -17.9936532147906 18582856 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC4=C(C=C3)OCO4 1 1.608 3 6 0 -19.694329404118 18582855 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)CCNC(=O)C3=CC4=C(C=C3)OCO4 1 1.83 3 5 0 -18.5694861695086 18582854 C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)CCNC(=O)C3=CC4=C(C=C3)OCO4 1 1.83 3 5 0 -18.7081518484598 18582853 C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)CCNC(=O)C3=CC4=C(C=C3)OCO4 1 2.289 3 5 0 -15.0186059496604 18582850 CC1CC(CN(C1)S(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3)C 1 1.551 2 5 0 -21.7865840925664 18582848 CCOC(=O)C1CCCN(C1)S(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 0.806 2 7 0 -25.5158427222699 18582847 CC1CCCN(C1)S(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 1.231 2 5 0 -22.273138941489 18582843 CCOC(=O)C1CCCN(C1)S(=O)(=O)CCNC(=O)C2=CC=C(C=C2)F 1 1.243 2 5 0 -22.5067270382398 18582842 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NCC2=CN=CC=C2 1 0.437 3 4 0 -11.6952218284343 18582841 CC(C1=CC=CC=C1)NS(=O)(=O)CCNC(=O)C2=CC=C(C=C2)OC 1 1.965 2 4 0 -13.0474308596898 18582840 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NCC2CCCO2 1 0.363 2 5 0 -16.3457063734021 18582831 CC(CCC1=CC=CC=C1)NS(=O)(=O)CCNC(=O)C2=CC(=CC=C2)OC 1 2.743 2 4 -13.5306604923317 18582830 COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)NCC2CCCO2 1 0.363 2 5 0 -16.8935383236631 18582828 CC1CC(CN(C1)S(=O)(=O)CCNC(=O)C2=CC(=CC=C2)OC)C 1 1.766 2 4 0 -20.4501435934067 18582827 CCOC(=O)C1CCCN(C1)S(=O)(=O)CCNC(=O)C2=CC(=CC=C2)OC 1 1.022 2 6 0 -24.1083592744751 18582824 C1=CC=C(C=C1)CCCNS(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 2.382 2 3 -12.5124833993609 18582823 C1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NCC2=CC=CC=N2 1 0.669 3 3 0 -12.6476337907218 18582822 C1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NCC2=CN=CC=C2 1 0.454 3 3 0 -12.1752974133243 18582820 CC(C1=CC=CC=C1)NS(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 1.982 2 3 0 -13.7231436801033 18582819 C1CC(OC1)CNS(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 0.38 2 4 0 -16.7283877317673 18582815 CC1CC(CN(C1)S(=O)(=O)CCNC(=O)C2=CC=CC=C2)C 1 1.782 2 3 0 -20.2849930015109 18582814 CCOC(=O)C1CCCN(C1)S(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 1.038 2 5 0 -24.0142516312144 18582813 CC1CCCN(C1)S(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 1.463 2 3 0 -20.7715478504334 18582812 CC1CCCCN1S(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 1.521 2 3 0 -16.399209147453 18582802 CC(C(=O)NC1=CC=C(C=C1)N(C)C)N2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.848 3 4 0 -11.4501106697676 18582798 CCN1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O.Cl Cl- 1 0.385 3 4 0 -5.61395583422845 18582797 CN1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O.Cl Cl- 1 3.6e-002 3 4 0 -4.00729993077759 18582791 CCN(CC)C1=CC(=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O)C 1 2.795 3 4 0 -11.2014073750411 18582787 CC(C1=CC=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.834 2 4 0 -11.4828932575627 18582783 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 0.714 5 6 0 -12.885329610936 18582780 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 0.235 3 6 0 -13.5612935835344 18582778 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=NC=C(S3)[N+](=O)[O-] 1 0.217 4 6 0 -2.25734749510609 18582753 CCCC(C)C1=NC(=C2C(=N1)N(C(=O)N2)C3=C(C=C(C=C3)OC)OC)C(=O)N 1 2.631 5 4 0 -9.86883175306626 18582752 CCCC(C)C1=NC(=C2C(=N1)N(C(=O)N2)C3=CC(=C(C=C3)OC)OC)C(=O)N 1 2.631 5 4 0 -11.9606172704673 18581809 C1COCCN1CCCN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)CCS(=O)(=O)C4=CC=CC=C4.Cl Cl- 1 3.166 3 4 0 -11.1647832191496 18581705 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N(CCCN2CCOCC2)C3=NC4=C(C=CC=C4S3)F.Cl Cl- 1 3.404 3 4 0 -8.99349944715532 18581703 C1COCCN1CCCN(C2=NC3=C(C=CC=C3S2)F)C(=O)CS(=O)(=O)C4=CC=CC=C4.Cl Cl- 1 2.918 3 4 0 -9.98690331291626 18581701 C1COCCN1CCCN(C2=NC3=C(C=CC=C3S2)F)C(=O)CCS(=O)(=O)C4=CC=CC=C4.Cl Cl- 1 3.166 3 4 0 -12.9453097931 18581648 CCC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CS(=O)(=O)C4=CC=CC=C4.Cl Cl- 1 3.655 3 4 0 -10.4368528875491 18581632 CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CS(=O)(=O)C4=CC=C(C=C4)F.Cl Cl- 1 3.404 3 4 0 -6.97436416651567 18581613 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CCCN2CCOCC2)C3=NC4=CC=CC=C4S3.Cl Cl- 1 3.447 3 4 0 -10.8397860030408 18581609 C1COCCN1CCCN(C2=NC3=CC=CC=C3S2)C(=O)CCS(=O)(=O)C4=CC=CC=C4.Cl Cl- 1 2.96 3 4 0 -11.9042086392894 18581530 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(S4)Cl.Cl Cl- 1 1.44 4 4 0 -11.985851229517 18581523 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN2S(=O)(=O)C3=CC=CS3 1 1.844 3 6 0 -14.9998766902064 18581517 CNC(=O)C1=C(SC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl 1 1.443 3 4 0 -12.4773106798873 18581491 CN(C)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4.Cl Cl- 1 3.165 4 3 0 -12.7883760519638 18581489 CC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4.Cl Cl- 1 3.446 4 3 0 -11.4811177967894 18581487 CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4.Cl Cl- 1 3.165 4 3 0 -11.0078494780134 18581483 CN(C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4.Cl Cl- 1 2.96 4 3 0 -11.6762561276656 18581481 CCCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4.Cl Cl- 1 1.877 4 4 0 -14.8136651155561 18581479 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4.Cl Cl- 1 1.005 4 4 0 -15.0672828580842 18581398 CC1=CC=C(C=C1)C(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CN=CC=C4 1 3.947 3 2 -10.0700781013363 18581397 CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CC=CC=N4 1 2.796 4 3 0 -17.8828842946009 18581382 C1CC2=C(C1)N(C(=O)N=C2SCC(=O)NC3=C(C=C(C=C3)F)F)CC4=CC=CC=N4 1 3.467 4 2 -14.9044585067972 18581356 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CC=NC=C4 1 1.962 5 3 0 -17.212391445849 18581355 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CN=CC=C4 1 1.962 5 3 0 -18.5344147534065 18581353 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CC=NC=C4 1 1.962 5 3 0 -17.0398179082448 18581352 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CN=CC=C4 1 1.962 5 3 0 -18.4592354423271 18581351 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CC=CC=N4 1 2.177 5 3 0 -18.3292645706288 18581344 CCOC1=CC=CC=C1NC(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CC=NC=C4 1 3.174 4 3 0 -18.3474392055311 18581343 CCOC1=CC=CC=C1NC(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CC=CC=N4 1 3.389 4 3 0 -19.7079046384027 18581340 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CC=NC=C4 1 3.174 4 3 0 -15.201663069948 18581339 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CN=CC=C4 1 3.174 4 3 0 -16.5236863775054 18581338 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CC=CC=N4 1 3.389 4 3 0 -16.3937155058072 18581333 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CC=CC=N4 1 3.024 4 4 0 -17.8758365704691 18581332 COC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=NC=C4 1 3.281 4 3 0 -14.7442500391246 18581329 COC1=CC=CC(=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=NC=C4 1 3.281 4 3 0 -14.3875446444369 18581327 COC1=CC=CC=C1NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=NC=C4 1 3.281 4 3 0 -17.8629985775358 18581324 CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CC=NC=C4)C 1 3.814 4 2 -16.7848148060749 18581312 COC1=CC=CC(=C1)CNC(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CC=NC=C4 1 2.832 4 3 0 -18.4544372386915 18581308 COC1=CC=CC=C1CNC(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CC=NC=C4 1 2.832 4 3 0 -20.4247613746554 18581304 C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=NC=C3)SCC(=O)NC4=CC=CC=C4 1 3.298 4 2 -14.4879379683538 18581252 C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)COC4=C(C=C(C=C4)Cl)Cl 1 3.876 4 3 0 -1.04951179179802 18581286 C1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br 1 3.905 4 2 -3.14783984918252 18581268 C1COCCN1C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)COC4=C(C=C(C=C4)Cl)Cl 1 3.876 4 3 0 -3.24226085925657 18581246 C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)COC4=CC=C(C=C4)Cl 1 3.212 4 3 0 -0.496021282936221 18581232 C1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(O4)Br 1 3.905 4 2 -0.815252877502333 18580950 CCN1CCN(CC1)C(=O)N(CC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)C 1 1.363 5 5 0 -13.2686752650544 18580949 CCC1=CC=C(C=C1)NC(=O)CN(C(=O)N2CCN(CC2)CC)S(=O)(=O)C3=CC=C(C=C3)C 1 3.304 4 4 0 -9.22197926571902 18580948 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(F)(F)F)C(=O)N3CCN(CC3)C 1 3.902 3 3 1.92031520045649 18580947 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)C(F)(F)F)C(=O)N3CCN(CC3)C 1 3.902 3 3 1.94689441802283 18580946 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CC=C2Cl)C(=O)N3CCN(CC3)C 1 2.684 4 4 0 -12.776429619294 18580945 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C 1 2.225 4 4 0 -10.7009131633453 18580943 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)OC)C(=O)N3CCN(CC3)C 1 2.815 3 5 0 -4.76062845224787 18580942 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(C(C)C)C(C)C)C(=O)N2CCN(CC2)C 1 2.094 4 4 0 -7.75298960604569 18580940 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C 1 2.854 4 5 0 -4.53824101650181 18580938 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C 1 2.854 4 5 0 -3.76984947423304 18580937 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)N3CCN(CC3)C 1 1.015 5 5 0 -11.6620193616035 18580936 CC1=CC=C(C=C1)CNC(=O)CN(C(=O)N2CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)C 1 2.505 4 4 0 -12.2391091310281 18580933 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CC=C2)C(=O)N3CCN(CC3)C 1 2.019 4 4 0 -12.2276050935901 18580928 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C 1 1.907 5 6 0 -9.65020426414132 18580923 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=C(C=C2)C)C)C(=O)N3CCN(CC3)C 1 2.985 4 4 0 -11.0029403188852 18580922 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=CC(=C2)C)C)C(=O)N3CCN(CC3)C 1 2.985 4 4 0 -10.0192409056012 18580921 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC(=C2C)C)C(=O)N3CCN(CC3)C 1 2.985 4 4 0 -6.77622185212398 18580920 CC1=CC=C(C=C1)NC(=O)CN(C(=O)N2CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)C 1 2.499 4 4 0 -8.42050347191377 18580917 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2)C(=O)N3CCN(CC3)C 1 2.012 4 4 0 -7.75083866806957 18580913 CCC1=C(NC(=NC1=O)SCC(=O)N2CC(OC(C2)C)C)C 1 1.579 3 3 0 -22.4221370509851 18580909 CC1=C(NC(=NC1=O)SCC(=O)NCC2CCCO2)C 1 0.833 3 3 0 -23.6579054753341 18580907 C1CC(OC1)CNC(=O)CSC2=NC(=O)C=C(N2)C(F)(F)F 1 1.045 3 3 0 -22.3146038766748 18580903 CCC1=CC(=O)N=C(N1)SCC(=O)NCC2CCCO2 1 0.91 3 3 0 -24.6977113878546 18580849 CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NN=C(C(=O)N2N)CC3=CC=C(C=C3)OC 1 3.311 5 3 0 -18.9590189569505 18580840 C1=CC=C(C=C1)CC2=NN=C(N(C2=O)N)SCC(=O)NC3=CC=C(C=C3)OC(F)F 1 3.2 5 3 0 -15.3506575432143 18580832 CC1=CC=C(C=C1)CC2=NN=C(N(C2=O)N)SCC(=O)NC3=CC(=C(C=C3)OC)OC 1 2.848 5 4 0 -21.8569052118728 18580829 COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(C(=O)N2N)CC3=CC=CC=C3)OC 1 2.362 5 4 0 -22.6717201166524 18580818 CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)CC3=CC=C(C=C3)OC)Cl 1 4.021 4 3 0 -18.6536907687797 18580817 COC1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)NC3=C(C=CC(=C3)Cl)OC 1 3.519 4 4 0 -19.2979631617298 18580816 CC1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)NC3=C(C=CC(=C3)Cl)OC 1 4.021 4 3 0 -19.0537698014951 18580815 CCOC1=CC=C(C=C1)CC2=NN=C(N(C2=O)N)SCC(=O)NC3=CC=C(C=C3)OC 1 2.711 5 4 0 -18.2642186040357 18580812 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C(=O)N2N)CC3=CC=CC=C3 1 2.379 5 3 0 -17.7545675767636 18580804 CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(C(=O)N2N)CC3=CC=C(C=C3)OC 1 2.711 5 4 0 -21.1936752197842 18580794 CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC(=O)C(=NN2)CC3=CC=C(C=C3)OC 1 4.021 4 3 0 -18.6608444198135 18580793 CCOC1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)NC3=CC=C(C=C3)C(=O)C 1 2.959 4 4 0 -23.5664523051932 18580786 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C(=O)N2N)CC3=CC=CC=C3 1 2.727 5 3 0 -18.5207907284716 18580781 CCOC1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)NC3=C(C=CC=C3C)C 1 4.192 4 3 0 -22.0712968556772 18580770 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C(=O)N2N)CC3=CC=CC=C3)OC 1 2.362 5 4 0 -21.9102796718005 18580758 CC1=CC=C(C=C1)CC2=NN=C(N(C2=O)N)SCC(=O)NC3=CC=CC=C3 1 2.881 5 2 0 -16.6834406012132 18580657 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CCN(C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC.Cl Cl- 1 4.344 3 4 0 -11.2689168924406 18580655 CN(C)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=COCCO3.Cl Cl- 1 2.146 3 4 0 -5.16959965165859 18580648 CN(C)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 4.018 3 4 0 -6.88933023729129 18580239 CC1=CC=CC=C1NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4.Cl Cl- 1 1.367 6 2 0 -2.06183356196949 18580238 C1COCCN1C2=NC(=NC(=N2)NC3=CC(=C(C=C3)F)Cl)N4CCOCC4.Cl Cl- 1 1.751 6 2 0 0.862783941154693 18580235 COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)OC.Cl Cl- 1 0.848 6 4 0 -6.36579769932855 18580234 CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4.Cl Cl- 1 1.085 6 4 0 -7.16950341490528 18580233 CCCCC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4.Cl Cl- 1 2.736 6 2 0 -2.25156076853277 18580232 CC1=CC(=CC(=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)C.Cl Cl- 1 1.853 6 2 0 -1.57004162763891 18580231 CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)Cl.Cl Cl- 1 2.032 6 2 0 -0.603823096386899 18580229 C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N4CCOCC4.Cl Cl- 1 1.086 6 2 0 -0.716543176362964 18580228 C1COCCN1C2=NC(=NC(=N2)NC3=CC(=C(C=C3)Cl)Cl)N4CCOCC4.Cl Cl- 1 2.21 6 2 0 0.584409742917797 18580227 CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)C.Cl Cl- 1 1.853 6 2 0 -1.28359376493574 18580226 CCC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4.Cl Cl- 1 1.823 6 2 0 -1.6678583376073 18580221 CC(=O)C1=CC(=CC=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4.Cl Cl- 1 0.621 6 3 0 -4.92531917793672 18580220 COC1=CC=CC=C1NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4.Cl Cl- 1 0.865 6 3 0 -3.46357714073246 18580104 CNC(=O)C1=C(SC2=C1CCN(C2)C(=O)OC)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.028 3 6 0 -25.6407727588447 18580103 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OC)C(=O)NC 1 1.85 3 6 0 -27.4627714494315 18580102 CNC(=O)C1=C(SC2=C1CCN(C2)C(=O)OC)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 1.364 3 6 0 -28.3587810886676 18580100 COC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3COC4=CC=CC=C4O3 1 1.305 3 6 0 -11.5386310083634 18580088 COC1=CC=C(C=C1)C(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl 1 3.637 2 4 -6.25437776641658 18580085 C1=CC(=CC=C1C(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl)Cl 1 4.318 2 3 -6.00872712982931 18580083 C1=CC=C(C=C1)C(=O)CSC2=NS(=O)(=O)C3=CC=CC=C3N2 1 2.989 2 3 -9.54659344730171 18580048 CC1=CSC(=N1)NC(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl 1 2.314 4 3 0 -12.3716517716414 18580047 CC1=CSC(=N1)NC(=O)CSC2=NS(=O)(=O)C3=CC=CC=C3N2 1 1.649 4 3 0 -15.1127730971489 18580044 C1=CC=C2C(=C1)NC(=NS2(=O)=O)SCC(=O)NC3=NC=CS3 1 1.367 4 3 0 -15.7514877749901 18580040 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl)OC 1 3.329 3 5 0 -18.950259427808 18580038 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NS(=O)(=O)C3=CC=CC=C3N2)OC 1 2.665 3 5 0 -21.5515428490939 18580037 C1=CC=C(C=C1)CCNC(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl 1 3.362 3 3 -15.2141554908528 18580029 C1=CC(=CC=C1CNC(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl)F 1 3.246 3 3 -14.2790170724737 18580028 C1=CC=C2C(=C1)NC(=NS2(=O)=O)SCC(=O)NCC3=CC=C(C=C3)F 1 2.582 3 3 -17.0201383979812 18580027 C1=CC=C(C=C1)CNC(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl 1 3.041 3 3 -15.8057090027185 18580022 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl 1 2.154 4 4 0 -14.3057482093426 18580021 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)F 1 1.695 4 4 0 -15.2893364199879 18580020 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl 1 2.774 3 4 0 -14.8305130033861 18579998 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl 1 3.976 3 3 -11.9773161391541 18579966 C1=CC=C2C(=C1)NC(=NS2(=O)=O)SCC(=O)NC3=CC=C(C=C3)F 1 2.575 3 3 -13.1450747726317 18579965 C1=CC(=CC(=C1)F)NC(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl 1 3.239 3 3 -9.46466271118059 18579964 C1=CC=C2C(=C1)NC(=NS2(=O)=O)SCC(=O)NC3=CC(=CC=C3)F 1 2.575 3 3 -12.1633403589913 18579963 C1=CC=C(C(=C1)NC(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl)F 1 3.239 3 3 -12.3706816196031 18579962 C1=CC=C2C(=C1)NC(=NS2(=O)=O)SCC(=O)NC3=CC=CC=C3F 1 2.575 3 3 -15.280215942123 18579941 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl 1 1.872 4 5 0 -12.7372846192763 18579940 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NS(=O)(=O)C3=CC=CC=C3N2 1 1.208 4 5 0 -15.4784059447838 18579937 CC1CCN(CC1)C(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)F 1 2.373 3 3 -16.1290530051773 18579931 C1CCN(CC1)C(=O)CSC2=NS(=O)(=O)C3=CC=CC=C3N2 1 1.916 3 3 0 -15.1974765161352 18579890 CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)F 1 2.847 3 5 0 -7.75896266441158 18579879 CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NC2=C(C=CC(=C2)C)OC)C3=CC=C(C=C3)C 1 3.186 3 6 0 -11.7548092461287 18579877 CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NC2=C(C=CC(=C2)C)OC)C3=CC=CC=C3 1 2.7 3 6 0 -11.369697749061 18579850 CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 2.694 4 5 0 -6.13585539135021 18579849 CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)C 1 2.975 4 5 0 -6.84773241681546 18579848 CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4C 1 2.975 4 5 0 -5.98516106634431 18579847 CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4 1 2.489 4 5 0 -7.67405135903301 18579807 CCOC1=CC=CC=C1NC(=O)COC2=CC(=O)N(N=C2C(=O)OCC)C3=CC=C(C=C3)F 1 2.768 3 6 0 -11.746658813761 18579803 CCOC1=CC=CC=C1NC(=O)COC2=CC(=O)N(N=C2C(=O)OCC)C3=CC=CC=C3 1 2.563 3 6 0 -12.8882520313809 18579802 CCOC1=CC=C(C=C1)NC(=O)COC2=CC(=O)N(N=C2C(=O)OCC)C3=CC=C(C=C3)F 1 2.768 3 6 0 -8.6008826781779 18579787 CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NC2=CC=C(C=C2)OC)C3=CC=C(C=C3)C 1 2.7 3 6 0 -9.1251240828759 18579785 CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NC2=CC(=CC=C2)OC)C3=CC=CC=C3Cl 1 2.878 3 6 0 -7.58688031730695 18579784 CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NC2=CC(=CC=C2)OC)C3=CC=C(C=C3)C 1 2.7 3 6 0 -8.76841868818824 18579783 CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NC2=CC(=CC=C2)OC)C3=CC=CC=C3C 1 2.7 3 6 0 -8.00943401645754 18579782 CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NC2=CC(=CC=C2)OC)C3=CC=CC=C3 1 2.214 3 6 0 -9.12711610985525 18579781 CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)F 1 2.419 3 6 0 -11.5319955958218 18579745 CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NC2=CC=CC(=C2)C)C3=CC=C(C=C3)F 1 2.922 3 5 0 -6.18367824357243 18579565 COC1=CC=C(C=C1)CNC(=O)CSC2=NC=CN(C2=O)C3=CC(=C(C=C3)F)F 1 2.235 3 3 -12.9335396696923 18579534 C1=CC=C(C(=C1)NC(=O)CSC2=NC=CN(C2=O)C3=CC=C(C=C3)Br)F 1 2.787 3 2 -10.7447253274108 18579527 C1CCC(C1)NC(=O)CSC2=NC=CN(C2=O)C3=CC=C(C=C3)Br 1 2.407 3 2 -12.6439347356995 18579520 C1=CC=C(C=C1)CNC(=O)CSC2=NC=CN(C2=O)C3=CC=C(C=C3)Br 1 2.589 3 2 -14.1797527105263 18579519 CCOC1=CC=C(C=C1)N2C=CN=C(C2=O)SCC(=O)NCC3=CC(=CC=C3)OC 1 2.156 3 4 0 -15.3507854775521 18579496 COC1=CC=CC=C1N2C=CN=C(C2=O)SCC(=O)NCC3=CC=CC=C3Cl 1 2.488 3 3 -15.7419082453447 18579474 CC1=C(C=C(C=C1)N2C=CN=C(C2=O)SCC(=O)NC3CCCC3)F 1 2.351 3 2 -10.8920022533887 18579415 C1COC2=C(O1)C=CC(=C2)N3C=CN=C(C3=O)SCC(=O)NC4=CC=CC=C4 1 1.619 3 4 0 -12.5632851857459 18579406 CC1=CC=C(C=C1)NC(=O)CSC2=NC=CN(C2=O)C3=CC4=C(C=C3)OCCO4 1 2.105 3 4 0 -12.4066310473725 18579405 CCC1=CC=C(C=C1)NC(=O)CSC2=NC=CN(C2=O)C3=CC4=C(C=C3)OCCO4 1 2.562 3 4 0 -12.6460691831516 18579404 COC1=CC=CC(=C1)NC(=O)CSC2=NC=CN(C2=O)C3=CC4=C(C=C3)OCCO4 1 1.603 3 5 0 -12.6027297660506 18579402 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC=CN(C2=O)C3=CC4=C(C=C3)OCCO4 1 1.952 3 5 0 -13.5858204082247 18579062 COC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2CC4CCCO4)OC5=CC=CC=C53 1 3.817 3 5 0 -21.8932854820895 18579060 COC1=CC=CC=C1CNC(=O)CSC2=NC3=C(C(=O)N2CC4CCCO4)OC5=CC=CC=C53 1 3.817 3 5 0 -24.1759563101678 18579059 C1CC(OC1)CN2C(=O)C3=C(C4=CC=CC=C4O3)N=C2SCC(=O)NCC5=CC=C(C=C5)F 1 4.039 3 4 0 -20.7684422474801 18579054 C1CC(OC1)CN2C(=O)C3=C(C4=CC=CC=C4O3)N=C2SCC(=O)NCC5=CC=CC=C5 1 3.833 3 4 0 -22.4635471747374 18578892 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(N(N=N3)CC4=CC(=CC=C4)Br)N 1 2.721 5 3 0 -18.2639819888111 18578879 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(N(N=N3)CC4=CC=C(C=C4)Br)N 1 2.721 5 3 0 -17.8611389602586 18578832 CN(C)CCCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC=CC4=CC=CC=C43 1 3.974 4 2 -15.9455421698343 18578823 CN(C)CCCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 2.834 4 4 0 -17.9257639799899 18578812 CC1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCCN4CCOCC4)C 1 3.726 4 3 0 -19.1622681652477 18578811 C1CCC2=C(C1)C(=NC(=O)N2CCCN3CCOCC3)SCC(=O)NC4=CC(=C(C=C4)F)F 1 3.164 4 3 0 -17.8622310605216 18578810 CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCCN4CCOCC4)F 1 3.445 4 3 0 -16.9546629234093 18578808 C1CCC2=C(C1)C(=NC(=O)N2CCCN3CCOCC3)SCC(=O)NC4=CC=CC=C4Cl 1 3.418 4 3 0 -18.6974059779734 18578806 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCCN4CCOCC4 1 3.223 4 4 0 -21.0943069295866 18578804 CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCCN4CCOCC4 1 3.948 4 3 0 -18.4146105527479 18578802 C1CCC2=C(C1)C(=NC(=O)N2CCCN3CCOCC3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-] 1 2.648 5 5 0 -20.7540899838446 18578801 C1CCC2=C(C1)C(=NC(=O)N2CCCN3CCOCC3)SCC(=O)NC4=CC(=CC=C4)F 1 2.959 4 3 0 -16.9070645837691 18578800 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCCN4CCOCC4 1 3.24 4 3 0 -18.6980702493996 18578799 C1CCC2=C(C1)C(=NC(=O)N2CCCN3CCOCC3)SCC(=O)NC4=C(C=C(C=C4)F)F 1 3.164 4 3 0 -18.3880026112418 18578796 CC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCCN4CCOCC4 1 3.24 4 3 0 -16.8104246960704 18578794 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCCN4CCOCC4 1 2.493 4 4 0 -22.4127527801962 18578793 C1CCC2=C(C1)C(=NC(=O)N2CCCN3CCOCC3)SCC(=O)NC4=CC=C(C=C4)Cl 1 3.418 4 3 0 -16.8760715588127 18578792 C1CCC2=C(C1)C(=NC(=O)N2CCCN3CCOCC3)SCC(=O)NC4=CC(=CC=C4)Cl 1 3.418 4 3 0 -15.9492009926941 18578791 C1CCC2=C(C1)C(=NC(=O)N2CCCN3CCOCC3)SCC(=O)NC4=CC=C(C=C4)F 1 2.959 4 3 0 -17.9861932239343 18578788 CCOC1=CC=CC=C1NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCCN4CCOCC4 1 3.086 4 4 0 -23.0230357458348 18578782 CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCCN4CCOCC4)C 1 3.726 4 3 0 -21.4604113463786 18578781 CCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCCN4CCOCC4 1 3.696 4 3 0 -18.9375083851786 18578773 CN(C)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC=CC4=CC=CC=C43 1 3.912 4 2 -17.6036126169726 18578768 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=O)N(C4=C3CCCC4)CCN(C)C 1 4.115 5 2 0 -13.5566187120613 18578767 CN(C)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=NC4=CC=CC=C4S3 1 3.629 5 2 0 -14.2825783681853 18578762 CN(C)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.789 4 4 0 -21.0291355806966 18578760 CN(C)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=C(C=CC(=C3)Cl)OC 1 3.651 4 3 0 -17.008454249817 18578759 CN(C)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC(=C(C=C3)OC)OC 1 2.971 4 4 0 -21.9573836108992 18578758 CN(C)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.946 4 2 -12.2614522722416 18578757 CN(C)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC=C(C=C3)C(F)(F)F 1 3.946 4 2 -13.031497974534 18578756 CN(C)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC=CC=C3C(F)(F)F 1 3.946 4 2 -17.488750528431 18578755 CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCN(C)C)Cl 1 4.154 4 2 -16.1954090079576 18578754 CCN(CC)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC(=C(C=C3)C)F 1 4.393 4 2 -15.330378326198 18578753 CCN(CC)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC=CC=C3Cl 1 4.365 4 2 -17.0731213807621 18578752 CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCN(CC)CC 1 5.556 4 2 -17.6786269156857 18578751 CCN(CC)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC=C(C=C3)C(C)C 1 4.895 4 2 -16.7903259555366 18578750 CCN(CC)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC=CC4=CC=CC=C43 1 4.609 4 2 -18.0501334072946 18578749 CCN(CC)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC=CC(=C3)C(=O)C 1 3.441 4 3 0 -19.6447495753094 18578744 CCN(CC)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=NC4=CC=CC=C4S3 1 4.326 5 2 0 -14.7290991585073 18578743 CCN(CC)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=NC(=CS3)C 1 2.981 5 2 0 -18.4050408682584 18578742 CCN(CC)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)N3CCC4=CC=CC=C43 1 3.982 4 2 -20.8638123435981 18578685 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCN4CCOCC4 1 2.658 4 5 0 -22.2453994430483 18578686 COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCN4CCOCC4 1 3.339 4 4 0 -19.9652784054849 18578687 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCN4CCOCC4 1 3.023 4 4 0 -20.7632783783864 18578688 CCOC1=CC=CC=C1NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCN4CCOCC4 1 3.023 4 4 0 -23.9090545139695 18578691 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCN4CCOCC4 1 1.811 5 4 0 -22.6014332166832 18578692 C1CCC2=C(C1)C(=NC(=O)N2CCN3CCOCC3)SCC(=O)NC4=CC=CC=C4F 1 2.897 4 3 0 -20.8389401645479 18578693 CC1=CC=CC=C1NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCN4CCOCC4 1 3.177 4 3 0 -22.1487817935265 18578707 C1CCC2=C(C1)C(=NC(=O)N2CCN3CCOCC3)SCC(=O)NC4=C(C=C(C=C4)F)F 1 3.102 4 3 0 -19.2740213793764 18578734 CCN(CC)CCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC4=C(C=C3)OCCO4 1 3.487 4 4 0 -21.4756563710186 18578725 CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCN4CCOCC4)C 1 4.15 4 3 0 -20.8846384777259 18578724 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCN4CCOCC4 1 3.663 4 3 0 -21.3627307012293 18578723 CC1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCN4CCOCC4)C 1 3.663 4 3 0 -20.0482869333823 18578722 COC1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCN4CCOCC4)OC 1 2.658 4 5 0 -22.9460423401403 18578719 CC1=C(C(=CC=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCN4CCOCC4)C 1 3.663 4 3 0 -18.5778297456281 18578713 CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)N(C3=C2CCCC3)CCN4CCOCC4 1 2.431 4 4 0 -22.1550529406553 18578712 C1CCC2=C(C1)C(=NC(=O)N2CCN3CCOCC3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-] 1 2.585 5 5 0 -21.6401087519793 18578711 C1CCC2=C(C1)C(=NC(=O)N2CCN3CCOCC3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-] 1 2.585 5 5 0 -21.6784868048914 18578710 C1CCC2=C(C1)C(=NC(=O)N2CCN3CCOCC3)SCC(=O)NC4=CC(=CC=C4)F 1 2.897 4 3 0 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C1CC(OC1)CNC(=O)COC2=COC(=CC2=O)CN3CCN(CC3)C4=CC=CC=C4F 1 1.047 3 5 0 -10.1419932316345 18575699 C1CC(OC1)CNC(=O)COC2=COC(=CC2=O)CN3CCN(CC3)C4=CC=CC=C4 1 0.841 3 5 0 -10.9765077732908 18575692 CCOC(=O)CNC(=O)COC1=COC(=CC1=O)CN2CCN(CC2)C3=CC=C(C=C3)F 1 0.744 3 6 0 -9.6587340922854 18575691 CCOC(=O)CNC(=O)COC1=COC(=CC1=O)CN2CCN(CC2)C3=CC=CC=C3 1 0.538 3 6 0 -10.6319143128929 18575688 C1CCC(C1)NC(=O)COC2=COC(=CC2=O)CN3CCN(CC3)C4=CC=CC=C4F 1 2.09 3 4 0 -4.27164681494896 18575683 C1CN(CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-] 1 1.982 3 6 0 -12.5053116976855 18575681 C1CN(C2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-] 1 2.071 3 6 0 -15.7772075617741 18575680 C1CN(CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-] 1 1.982 3 6 0 -12.5643278712981 18575679 C1CC2=CC=CC=C2N(C1)CC3=CC(=O)C(=CO3)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-] 1 2.527 3 6 0 -16.7021497314962 18575677 COC1=CC(=C(C=C1)OC)NC(=O)COC2=COC(=CC2=O)CN3CCC4=CC=CC=C43 1 2.144 2 6 0 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0 -1.93981425148988 18575660 C1CN(CCN1CC2=CC=CC=C2)CC3=CC(=O)C(=CO3)OCC(=O)NC4=CC=CC=C4 1 1.97 3 4 0 -4.46051598840433 18575659 CC1CC2=CC=CC=C2N1CC3=CC(=O)C(=CO3)OCC(=O)NC4=CC=CC=C4 1 2.554 2 4 -9.65749949416822 18575658 C1CN(C2=CC=CC=C21)C(=O)COC3=COC(=CC3=O)CN4CCN(CC4)C5=CC=CC=C5F 1 2.545 3 4 0 -7.25095975812488 18575622 COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-] 1 2.818 4 5 0 -2.36915511531956 18575612 C1CN(CCN1C2=NC3=C(C=C(C=C3S2)F)F)C(=O)C4COC5=CC=CC=C5O4 1 3.062 3 3 -1.29328622501339 18575603 COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4 1 2.635 3 4 0 -4.36724091286788 18575598 CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4 1 3.138 3 3 -2.1839925636817 18575592 C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4COC5=CC=CC=C5O4 1 2.546 4 5 0 -4.0419409827595 18575573 COC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4 1 2.635 3 4 0 -3.5949175878509 18575368 CC(C(=O)N1CCN(CC1)C2=NN=C(C=C2)N3CCCCCC3)OC4=CC=CC=C4 1 2.948 5 2 0 -8.79995968226267 18575364 CC(C(=O)N1CCN(CC1)C2=NN=C(C=C2)N3CCCCC3)OC4=CC=CC=C4 1 2.492 5 2 0 -8.79995968226267 18575358 CCN1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C 1 1.645 7 4 0 -12.1326422829194 18575357 CCN1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-] 1 1.645 7 4 0 -14.9376344277276 18575356 CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCN(CC4)CC 1 2.577 6 3 0 -14.5342349368084 18575354 CCN1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 1.159 7 4 0 -14.9311416126025 18575352 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4 1 1.027 6 5 0 -14.4885116831712 18575351 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4)[N+](=O)[O-] 1 1.027 6 5 0 -17.2935038279793 18575350 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 0.54 6 5 0 -17.2958726328316 18575349 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 0.54 6 5 0 -17.2870110128543 18575337 CCOCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3 1 2.065 4 4 0 -20.5360951187574 18575333 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3 1 2.826 3 4 0 -11.6922203341304 18575327 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5N4)C 1 3.4 4 2 -10.462408233338 18575326 C1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)C4CC(=O)N(C4)C5=CC=C(C=C5)Cl 1 3.092 4 2 -8.76209660729188 18575325 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5N4 1 2.411 4 3 0 -10.9970615070228 18575304 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C 1 0.462 6 4 0 -19.0909048746701 18575303 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C 1 0.462 6 4 0 -18.9183313370659 18575190 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=CC=C(C=C3)NC(=O)C 1 1.366 9 2 0 -20.6613372893237 18575189 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=CC=CC=C3C(F)(F)F 1 3.188 8 1 0 -18.3329052191352 18575187 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=CC=C(C=C3)OC(F)F 1 3.051 8 2 0 -15.4804757281653 18575183 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=CC(=C(C=C3)OC)OC 1 2.213 8 3 0 -22.8015383016034 18575182 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=C(C=CC(=C3)OC)OC 1 2.213 8 3 0 -20.1327299780846 18575180 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=C(C=C(C=C3)Br)F 1 3.2 8 1 0 -15.8292459569391 18575177 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=C(C=CC(=C3)Cl)OC 1 2.894 8 2 0 -17.8526089405212 18575166 CC1=C(SC(=C1C(=O)NC)NC(=O)CCS(=O)(=O)C2=CC=CC=C2)C 1 1.866 2 4 0 -21.2891575335018 18575116 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CCOCC4 1 2.796 5 5 0 -3.49239750275323 18575115 C1COCCN1C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.31 5 5 0 -3.44300357218842 18575114 C1COCCN1C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 2.31 5 5 0 -4.51322812362661 18575113 C1COCCN1C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 2.31 5 5 0 -6.73647723620638 18575112 C1COCCN1C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)Cl)Cl 1 3.744 4 3 0 0.637096288613628 18575111 C1COCCN1C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)Cl 1 3.744 4 3 0 -0.933723700231088 18575109 CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CCCC4)[N+](=O)[O-] 1 3.463 6 6 0 -0.264426066432724 18575108 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CCCC4 1 3.569 5 4 0 -1.54884286587238 18575107 C1CCN(C1)C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.083 5 4 0 -1.49944893530758 18575106 C1CCN(C1)C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 3.083 5 4 0 -2.56967348674576 18575105 C1CCN(C1)C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 3.083 5 4 0 -4.79292259932553 18575102 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCC4 1 3.569 5 4 0 0.623692551618307 18575101 C1CCN(C1)C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.083 5 4 0 0.812924386404755 18575100 C1CCN(C1)C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 3.083 5 4 0 -0.82090520343449 18575099 C1CCN(C1)C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 3.083 5 4 0 -2.57794350413798 18575098 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4 1 2.796 5 5 0 -1.31986208526254 18575097 C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.31 5 5 0 -1.13063025047609 18575096 C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 2.31 5 5 0 -2.76445984031534 18575095 C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 2.31 5 5 0 -4.52149814101883 18575094 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4 1 2.155 4 4 0 -3.6581412355218 18575035 CC1=CC(=C(C=C1)OC)N2C=CN(C(=O)C2=O)CC(=O)NC3=C(C=C(C=C3)Br)F 1 1.997 3 4 0 -7.89992627922219 18575034 CCOC1=CC=CC=C1N2C=CN(C(=O)C2=O)CC(=O)NC3=C(C=C(C=C3)Br)F 1 1.86 3 4 0 -8.42323663105053 18574935 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NCCC3=CC=CO3 1 1.969 3 5 0 -16.8371662374042 18574933 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NCC3=CC=CC=C3C 1 3.025 3 4 0 -16.1215497200688 18574930 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC3CC3 1 1.445 3 4 0 -17.5322358260443 18574926 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC2CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.16 3 5 0 -13.827612492242 18574925 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NCC3=CC=CO3 1 1.72 3 5 0 -16.7877247041195 18574924 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC3CCCCCC3 1 3.269 3 4 0 -17.4271983479101 18574922 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NCC3CCCO3 1 1.314 3 5 0 -18.8044007799031 18574915 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NCCN3CCOCC3 1 0.781 4 5 0 -18.1112750458498 18574896 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC3CCCC3 1 2.357 3 4 0 -17.072729833742 18574894 C1CC(N(C1)S(=O)(=O)C2=CC=CS2)CNC(=O)C(=O)NCC3=CC=CC=C3F 1 1.558 3 4 0 -17.4489471649268 18574893 C1CC(N(C1)S(=O)(=O)C2=CC=CS2)CNC(=O)C(=O)NC3=CC=CC=C3Cl 1 2.01 3 4 0 -16.1530574109114 18574891 C1CC(N(C1)S(=O)(=O)C2=CC=CS2)CNC(=O)C(=O)NCC3=CC=CC=C3Cl 1 2.017 3 4 0 -17.3756088460278 18574890 CC(C)CNC(=O)C(=O)NCC1CCCN1S(=O)(=O)C2=CC=CS2 1 0.961 3 4 0 -16.8011974638962 18574889 C1CC(N(C1)S(=O)(=O)C2=CC=CS2)CNC(=O)C3=CC(=C(C=C3)F)F 1 2.49 2 3 -11.9731004142331 18574888 CCNC(=O)C(=O)NCC1CCCN1S(=O)(=O)C2=CC=CS2 1 0.118 3 4 0 -15.7301570040453 18574887 CNC(=O)C(=O)NCC1CCCN1S(=O)(=O)C2=CC=CS2 1 -0.231 3 4 0 -17.4621380924436 18574886 C1CC(N(C1)S(=O)(=O)C2=CC=CS2)CNC(=O)C3=CC=C(C=C3)Cl 1 2.744 2 3 -11.1915531737406 18574884 C1CC(N(C1)S(=O)(=O)C2=CC=CS2)CNC(=O)C3=CC(=CC=C3)Cl 1 2.744 2 3 -10.6380326467075 18574883 COCCCNC(=O)C(=O)NCC1CCCN1S(=O)(=O)C2=CC=CS2 1 -0.299 3 5 0 -20.753746213221 18574881 C1CC(N(C1)S(=O)(=O)C2=CC=CS2)CNC(=O)C3=CC(=CC=C3)F 1 2.285 2 3 -12.2864129775628 18574880 C1CC(N(C1)S(=O)(=O)C2=CC=CS2)CNC(=O)C3=CC=C(C=C3)F 1 2.285 2 3 -12.3016748388622 18574879 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C1CCN(C(C1)CCNC(=O)C(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3 1 2.283 3 4 0 -19.8842859668263 18574281 C1CCN(C(C1)CCNC(=O)C(=O)NCCN2CCOCC2)S(=O)(=O)C3=CC=CC=C3 1 0.328 4 5 0 -19.7715308489417 18574276 C1CCN(C(C1)CCNC(=O)C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 2.29 3 4 0 -17.6073925305417 18574263 C1CCC(C1)NC(=O)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CC=C3 1 1.903 3 4 0 -20.6040026224043 18574262 C1CCN(C(C1)CCNC(=O)C(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.085 3 4 0 -19.4271159228348 18574196 CCOC(=O)C(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)F 1 2.562 1 5 -6.53046350876642 18574191 CN(C)CCCNC(=O)C(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)F 1 1.767 3 4 0 -10.376058413563 18574184 CCOC(=O)C(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)C 1 2.843 1 5 -7.24234053423168 18574108 CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 3.302 1 5 -8.03841824255275 18574102 CCOC(=O)C(=O)NCC(C1=CC=CO1)S(=O)(=O)C2=CC=CS2 1 1.585 1 6 0 -11.764411701833 18573978 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-28.4412551610661 18573637 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.732 3 7 0 -16.9351214377918 18573636 CCCCN(C1CCS(=O)(=O)C1)C(=O)/C=C/C2=CC=C(C=C2)OC 1 2.531 1 4 -14.2146115773432 18573635 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC2=CC=C(C=C2)C(C)(C)C 1 3.179 1 4 -13.4508038699229 18573634 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCS(=O)(=O)C3 1 0.831 2 5 0 -29.6389302665134 18573632 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2CCCO2 1 0.612 1 4 0 -23.2237049596732 18573631 CN(C1CCS(=O)(=O)C1)C(=O)C2CCCO2 1 -0.58 1 4 0 -22.0905973780828 18573630 CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=CS2 1 2.033 1 3 -17.3480117767055 18573629 CCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=CS2 1 1.053 1 3 0 -16.6336212243154 18573628 CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(O2)Br 1 2.043 1 4 -16.7100939933578 18573627 CCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(O2)Br 1 1.063 1 4 0 -15.9957034409677 18573626 CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=CO2 1 1.475 1 4 0 -15.8172047693142 18573624 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.977 2 5 0 -29.4289569001033 18573623 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.521 2 5 0 -29.0744883859352 18573622 CCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 0.678 2 5 0 -28.4081015785839 18573621 CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 0.329 2 5 0 -28.1007904218548 18573611 CCCCN(C1CCS(=O)(=O)C1)C(=O)/C=C/C2=CC=CC=C2 1 2.548 1 3 -13.9735891852834 18573599 CCN(C1CCS(=O)(=O)C1)C(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.429 1 3 -11.221582501282 18573588 CCN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)Br 1 1.848 1 3 0 -13.53526723713 18573587 CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)Br 1 1.5 1 3 0 -13.227956080401 18573586 CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=CC=C2Br 1 2.828 1 3 -13.9201079082103 18573585 CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=CC=C2Br 1 1.5 1 3 0 -13.2259451608623 18573565 C1CS(=O)(=O)CC1NC(=O)C2=CC3=C(C=C2)OCO3 1 0.313 1 5 0 -14.8058785444051 18573564 CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC3=C(C=C2)OCO3 1 1.848 1 5 0 -16.9887667626078 18573563 CCN(C1CCS(=O)(=O)C1)C(=O)C2=CC3=C(C=C2)OCO3 1 0.868 1 5 0 -16.2743762102177 18573562 CN(C1CCS(=O)(=O)C1)C(=O)C2=CC3=C(C=C2)OCO3 1 0.519 1 5 0 -15.9670650534886 18573530 CCN(C1CCS(=O)(=O)C1)C(=O)C23CC4CC(C2)CC(C4)C3 1 1.991 1 3 0 -12.1339000865067 18573529 CN(C1CCS(=O)(=O)C1)C(=O)C2CCCCC2 1 1.213 1 3 0 -14.1556225212666 18573528 CCCCN(C1CCS(=O)(=O)C1)C(=O)C2CCCC2 1 2.086 1 3 -14.4622178512204 18573527 CN(C1CCS(=O)(=O)C1)C(=O)C2CCCC2 1 0.757 1 3 0 -13.8011540070985 18573526 CCCCN(C1CCS(=O)(=O)C1)C(=O)C2CC2 1 1.173 1 3 0 -18.2113649711283 18573525 CCN(C1CCS(=O)(=O)C1)C(=O)C2CC2 1 0.193 1 3 0 -17.3462423460046 18573524 CN(C1CCS(=O)(=O)C1)C(=O)C2CC2 1 -0.155 1 3 0 -17.5503011270063 18573516 CC1CN(CC(O1)C)C(=O)CSC2=NC(=O)N3C=CC=C(C3=N2)C 1 1.733 4 3 0 -18.8091437254965 18573514 CC1=CC=CN2C1=NC(=NC2=O)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F 1 4.622 5 2 0 -12.3443906209404 18573513 CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC(=O)N4C=CC=C(C4=N3)C)C5=CC=C(C=C5)OC 1 4.933 5 3 0 -14.2606957853972 18573509 CC1=CC2=NC(=NC(=O)N2C=C1)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)OC 1 4.4 5 3 0 -10.5973103558107 18573508 CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC(=O)N4C=CC(=CC4=N3)C)C5=CC=C(C=C5)OC 1 4.933 5 3 0 -11.3887722856581 18573501 CC1=CC2=NC(=NC(=O)N2C=C1)SCC(=O)NC3CCCCC3 1 2.943 4 2 -14.0016276510486 18573499 CC1CN(CC(O1)C)C(=O)CSC2=NC(=O)N3C=C(C=CC3=N2)C 1 1.733 4 3 0 -19.0555436434709 18573498 CC1=CN2C(=NC(=NC2=O)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)OC)C=C1 1 4.4 5 3 0 -13.7156337735242 18573496 CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC(=O)N4C=C(C=CC4=N3)C)C5=CC=C(C=C5)OC 1 4.933 5 3 0 -14.5070957033716 18573490 CC1=CN2C(=NC(=NC2=O)SCC(=O)NC3CCCCC3)C=C1 1 2.943 4 2 -17.1199510687621 18573487 C1C(N(N=C1C2=CC=CS2)C(=O)CSC3=NC(=O)N4C=CC=CC4=N3)C5=CC=C(C=C5)F 1 4.175 5 2 0 -12.1126626745259 18573486 CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC(=O)N4C=CC=CC4=N3)C5=CC=CS5 1 4.456 5 2 0 -12.8245396999911 18573457 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.237 3 5 0 -9.40269411448522 18573449 CC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=C(C=CC(=C3)F)F)C 1 3.062 2 3 -10.2537999041253 18573448 CC1=CC=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 1.285 3 4 0 -13.8682720466818 18573447 CC1=CC=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)C 1 1.905 2 4 0 -13.7522037901177 18573442 C1C(CN(C1=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.587 2 3 -8.59701604649621 18573433 CC1=CC=C(C=C1)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)NC4=NOC=C4 1 3.554 3 4 0 -14.3554652607691 18573420 CN(C)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC3=CC=CC=C3 1 2.704 2 3 -12.7792085938392 18573414 COC1=C(C=C(C=C1)N2CC(CC2=O)NC(=O)C3=CC4=CC=CC=C4C=C3)OC 1 2.851 2 4 -9.13143223598951 18573413 COC1=C(C=C(C=C1)N2CC(CC2=O)NC(=O)C3=CC=CC4=CC=CC=C43)OC 1 2.851 2 4 -9.6227358593169 18573390 C1CC1C(=O)NC2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 1.733 2 2 0 -8.07838983656147 18573388 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)NC3CC(=O)N(C3)C4=CC=C(C=C4)F 1 2.506 3 3 -2.31378216258888 18573387 C1C(CN(C1=O)C2=CC=C(C=C2)F)NC(=O)C(=O)C3=CNC4=CC=CC=C43 1 2.36 3 3 -4.97640118508396 18573377 C1C(CN(C1=O)C2=CC(=CC=C2)F)NC(=O)C(=O)C3=CNC4=CC=CC=C43 1 2.36 3 3 -4.04446308246873 18573360 CCOC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)C3=CC4=CC=CC=C4C=C3 1 3.216 2 3 -6.62585411475501 18573352 COC1=CC=CC(=C1)N2CC(CC2=O)NC(=O)C(=O)C3=CNC4=CC=CC=C43 1 2.138 3 4 0 -5.5052759364506 18573347 COC1=CC=CC(=C1)N2CC(CC2=O)NC(=O)C3=CC4=CC=CC=C4C=C3 1 2.867 2 3 -5.40350038402588 18573346 COC1=CC=CC(=C1)N2CC(CC2=O)NC(=O)C3=CC=CC4=CC=CC=C43 1 2.867 2 3 -6.2211769150079 18573339 CC1=C(C=C(C=C1)N2CC(CC2=O)NC(=O)C(=O)C3=C(NC4=CC=CC=C43)C)C 1 3.273 3 3 -3.09226871784724 18573338 CC1=C(C=C(C=C1)N2CC(CC2=O)NC(=O)C(=O)C3=CNC4=CC=CC=C43)C 1 3.127 3 3 -5.56659114600851 18573326 CC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)C(=O)C3=C(NC4=CC=CC=C43)C 1 2.786 3 3 -3.21395578238794 18573311 CC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)C3CC3 1 1.555 2 2 0 -9.90038852714828 18573308 C1C(CN(C1=O)C2=CC=CC=C2)NC(=O)C(=O)C3=CNC4=CC=CC=C43 1 2.155 3 3 -6.11799440270384 18573294 C1CC1C(=O)NC2CC(=O)N(C2)C3=CC=CC=C3 1 1.069 2 2 0 -10.1616917222905 18573265 COC1=CC(=C(C=C1)C2=NN=C(O2)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F)OC 1 2.005 3 6 0 -8.34294320551529 18573264 COC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F 1 2.022 3 5 0 -5.65302420608607 18573262 CN1C2=C(C=C(C=C2)OC)SC1=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F 1 3.379 2 4 -9.54281973190307 18573256 CN1C2=C(C=CC=C2SC1=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F)OC 1 3.379 2 4 -10.1226712951542 18573244 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F)OC 1 3.109 2 5 0 -6.70472876315232 18573240 CN1C2=CC=CC=C2SC1=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F 1 3.396 2 3 -8.349943561867 18573226 CN1C2=CC=CC=C2SC1=NC(=O)CS(=O)(=O)C3=CC=CC=C3 1 3.19 2 3 -10.1262432235808 18573223 CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)C3=CC=CC=C3 1 3.085 3 5 0 -12.8008585610694 18573219 CCOC1=C2C(=CC=C1)SC(=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F)N2C 1 3.977 2 4 -13.4959496591243 18573217 COC1=CC(=CC(=C1)C2=NN=C(O2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F)OC 1 2.254 3 6 0 -11.6067481213923 18573199 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F 1 2.237 3 7 0 -13.801264136025 18573148 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)C)C(=O)N 1 1.001 3 5 0 -21.0156707773988 18573147 CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)C)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C 1 2.203 2 6 0 -25.2787711043677 18573140 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N=C2N(C3=C(C=CC=C3S2)OC)C 1 3.908 2 4 -13.7067591904639 18573132 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC(=C(S2)C(=O)C)C 1 2.037 2 4 -16.1587711772262 18573120 CN1C2=C(C=CC=C2SC1=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)Cl)OC 1 3.838 2 4 -9.01254963003259 18572748 C1CN(CCC1C(=O)N)C(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 -0.227 4 5 0 -13.2991001097745 18572742 CC1=C(C=C(C=C1)NC(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)F 1 2.361 3 4 0 -8.48439409340446 18572741 CC1=C(C=C(C=C1)NC(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)C 1 2.642 3 4 0 -10.4757162340348 18572740 CC1=CC(=C(C=C1)NC(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)C 1 2.642 3 4 0 -14.1173813413028 18572739 COC1=CC=CC=C1NC(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.653 3 5 0 -14.7469170876574 18572738 CC1=CC=C(C=C1)NC(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 2.156 3 4 0 -10.0879635151731 18572736 CN(C1=CC=CC=C1)C(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.875 3 4 0 -8.02784446381718 18572729 CC1CCCN(C1)C(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.535 3 4 0 -14.4001509096941 18572728 CC1CCCCN1C(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.593 3 4 0 -13.1742856603091 18572727 C1CCN(CC1)C(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.216 3 4 0 -13.4076816261409 18572419 CCCC1=CC(=O)N=C2N1C(=NN2)SCC(=O)NC3=NN=C(S3)SCC 1 2.532 7 2 0 -28.778947716004 18572415 CCCC1=CC(=O)N=C2N1C(=NN2)SCC(=O)NC3=CC=C(C=C3)C(=O)C 1 2.366 5 3 0 -23.1824937024328 18572299 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4 1 1.774 7 2 0 -18.7603000026829 18572298 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4 1 1.774 7 2 0 -18.6851206916034 18572296 COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4 1 3.393 6 2 0 -17.1419462324222 18572293 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4)OC 1 3.377 6 3 0 -21.1400609607913 18572271 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC(=CC=C4)OC 1 2.908 6 3 0 -14.265731719722 18572258 C1CC(OC1)CNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=C(C=C4)Br 1 3.334 5 2 0 -21.0351898047176 18572231 CCOC1=CC=C(C=C1)C2=NN3C(=NN=C3SCC(=O)NCC4CCCO4)C=C2 1 2.918 5 3 0 -22.5797181110551 18572177 CC1=C(C=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC(=O)NCC3CCCO3)C 1 1.796 4 4 0 -23.3826297759836 18572170 CN1C(=O)C(=CN=C1SCC(=O)NCC2CCCO2)C(=O)NC3=CC=CC=C3OC 1 0.807 4 5 0 -26.5761199141214 18572168 CN1C(=O)C(=CN=C1SCC(=O)NCCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3OC 1 2.353 4 4 0 -22.3848712714278 18572158 CN1C(=O)C(=CN=C1SCC(=O)NCCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC 1 2.353 4 4 0 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CC1=CC=C(C=C1)CNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.198 3 5 0 -17.1911738948031 18561537 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)Br)CNC(=O)C(=O)NCC3=CC=CC=C3 1 1.712 3 5 0 -18.0059887995827 18561535 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC(C)C 1 1.058 3 5 0 -18.4431351151652 18561534 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NC 1 -0.133 3 5 0 -19.1040757437125 18561533 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC=CC=N3 1 0.515 4 5 0 -19.7612664337362 18561532 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.218 3 7 0 -19.2517667775136 18561530 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCCC3=CC=CC=C3 1 2.227 3 5 0 -19.9852021307874 18561528 COCCNC(=O)C(=O)NCC1N(CCO1)S(=O)(=O)C2=CC=C(C=C2)F 1 -0.545 3 6 0 -21.050194663171 18561527 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCOC 1 -0.264 3 6 0 -21.7620716886362 18561526 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC=C(C=C3)Cl 1 2.114 3 5 0 -15.7345141497017 18561525 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C1COC(N1S(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)C(=O)NCC3=CC=CC=C3Cl 1 1.834 3 5 0 -18.2082752453067 18561442 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCCN3CCCC3=O)C 1 0.555 4 6 0 -28.7864782635334 18561438 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC=NC=C3)C 1 1.272 4 5 0 -14.1775313509106 18561437 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC=CC=N3)C 1 1.487 4 5 0 -15.8582804935824 18561388 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 0.937 3 7 0 -18.5398897520483 18561391 C1COC(N1S(=O)(=O)C2=CC=CC=C2)CNC(=O)C(=O)NCCCC3=CC=CC=C3 1 1.741 3 5 0 -21.1742432320718 18561392 COC(CNC(=O)C(=O)NCC1N(CCO1)S(=O)(=O)C2=CC=CC=C2)OC 1 -0.682 3 7 0 -22.6555464866456 18561393 C1COC(N1S(=O)(=O)C2=CC=CC=C2)CNC(=O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 0.732 3 7 0 -20.1477764167498 18561395 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)C(=O)NCC3=CC=CC=N3 1 0.234 4 5 0 -19.049389408271 18561396 COC1=CC=CC=C1CNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC=CC=C3 1 0.947 3 6 0 -21.1481595167471 18561436 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)C 1 1.449 4 7 0 -18.1012319508723 18561426 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)C(=O)NCCC3=CC=CC=C3 1 1.491 3 5 0 -18.0573445638873 18561418 COC1=CC=C(C=C1)CCNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.474 3 6 0 -17.6554958682519 18561410 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C(=O)NCC3=CC=CC=N3 1 -7.7e-002 5 7 0 -21.8556642210935 18561406 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)C(=O)NCC3=CC=NC=C3 1 1.9e-002 4 5 0 -17.3686402655993 18561384 CC(C)CNC(=O)C(=O)NCC1N(CCO1)S(=O)(=O)C2=CC=C(C=C2)OC 1 0.556 3 6 0 -18.8561013243093 18561382 COC1=CC=C(C=C1)CNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.153 3 6 0 -17.2576020239674 18561379 COC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 -2.6e-002 4 8 0 -21.2991051307639 18561376 COC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC=C(C=C3)F 1 1.153 3 6 0 -17.2576020239674 18561373 COC1=CC=CC=C1CCNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.474 3 6 0 -22.0183318783433 18561370 C1CC(=O)N(C1)CCCNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC=C(C=C3)Br 1 -0.155 4 6 0 -32.2486913411838 18561368 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)C(=O)NCCCC3=CC=CC=C3 1 1.947 3 5 0 -19.2733251053221 18561367 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)Br)CNC(=O)C(=O)NCCC3=CC=CC=C3 1 2.033 3 5 0 -18.4038826438672 18561365 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)Br)CNC(=O)C(=O)NCC3=CC=NC=C3 1 0.562 4 5 0 -17.7151783455791 18561363 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)Br)CNC(=O)C(=O)NCC3=CC=CC=N3 1 0.777 4 5 0 -19.3959274882509 18561362 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)Br)CNC(=O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.48 3 7 0 -18.8864278320282 18561316 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3CCCO3 1 0.707 5 5 0 -33.710918271713 18561284 COC1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3CCCO3)OC 1 1.557 4 5 0 -30.9982785095235 18561277 C1CC(OC1)CNC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3 1 1.59 4 3 0 -28.9355317068993 18561189 CCC(=O)NC1=NN=C(S1)SCC(=O)NCC2CCCO2 1 0.593 4 3 0 -26.5332028357484 18561181 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)N 1 -0.17 5 5 0 -34.7727996127113 18561158 CC(C)CC(=O)NC1=NN=C(S1)SCC(=O)NCC2CCCO2 1 1.301 4 3 0 -30.5065200189141 18561114 C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC=C(C=C3)F)F 1 3.226 4 2 -24.8064075296891 18561090 COC1=CC(=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3CCCC3)OC 1 2.601 4 4 0 -22.8748806536397 18561048 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2 1 1.465 7 2 0 -14.8364099921448 18561041 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2 1 3.287 6 1 0 -12.6053721484811 18561036 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN3C(=NN=C3C4=CC=CC=N4)C=C2 1 1.893 7 2 0 -13.9381479978231 18561030 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NN3C(=NN=C3C4=CC=CC=N4)C=C2 1 3.715 6 1 0 -11.7781289246469 18560915 CN(CC1CCCO1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=C4 1 1.931 4 5 0 -12.6100253800597 18560906 CN(CC1CCCO1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)F 1 2.296 2 4 -13.6954766380913 18560889 CC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 0.515 3 5 0 -21.911680416635 18560731 CC1=CC(=NN1CC(COC2=CC=C(C=C2)C(C)(C)C)O)C 1 3.429 2 2 -2.63163096481374 18560496 CC1=NC=C(C2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC(=O)N5CCOCC5)CO 1 2.476 4 4 0 -9.73577916807887 18560335 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)S(=O)(=O)C4=CC=C(C=C4)C 1 3.533 3 3 -2.67948272957926 18560284 C1CC(=O)N(C1)CCCNC2=NC3=C(N=NN3C4=CC=CC=C42)S(=O)(=O)C5=CC=C(C=C5)Br 1 2.605 6 3 0 -24.2391359586073 18560266 COC1=CC=CC(=C1)NC(=O)COC(=O)CCCC2=NS(=O)(=O)C3=CC=CC=C3N2 1 1.679 3 6 0 -17.5913690289861 18560265 COC1=CC(=CC(=C1)NC(=O)COC(=O)CCCC2=NS(=O)(=O)C3=CC=CC=C3N2)OC 1 1.663 3 7 0 -20.7242333935929 18560264 COC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC2=NS(=O)(=O)C3=CC=CC=C3N2)Cl 1 2.343 3 6 0 -18.2725288454211 18560262 COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CCCC2=NS(=O)(=O)C3=CC=CC=C3N2 1 2.343 3 6 0 -17.8189033759555 18560261 CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC2=NS(=O)(=O)C3=CC=CC=C3N2)C 1 2.668 3 5 0 -17.75667175128 18560078 CCOC1=CC=C(C=C1)S(=O)(=O)C2=CNC3=C(C2=O)C=C(C=C3)C 1 2.838 1 4 -8.67027671539549 18560075 CCOC1=CC=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)C)NC3=NC4CS(=O)(=O)CC4S3 1 3.636 3 4 0 -14.0352825869625 18560016 CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=N2)NC3=NC4CS(=O)(=O)CC4S3 1 2.047 4 3 0 -15.7857643797627 18559957 CC1=NC=C(C2=C1OC3=C(C2)C(=NC(=N3)C4=CC(=CC=C4)OC)SCC(=O)N5CCOCC5)CO 1 2.46 4 5 0 -7.73389580446734 18559738 CC1CCCN(C1)C2=C(C=NC3=CC(=C(C=C32)OC)OC)S(=O)(=O)C4=CC=CC=C4 1 4.484 2 4 -9.42959873544641 18559510 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)NC4=NC5CS(=O)(=O)CC5S4 1 2.953 4 3 0 -7.39986362498247 18559509 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=NC5CS(=O)(=O)CC5S4 1 2.731 4 4 0 -10.1670390951147 18559507 CC1=CC(=CC=C1)NC(=O)CN(C2=CC=CC=C2F)C3=NC4CS(=O)(=O)CC4S3 1 3.238 3 3 -11.989083399537 18559457 COC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)Cl)OC)C3=NC4CS(=O)(=O)CC4S3 1 3.178 3 5 0 -11.9407809746608 18559451 COC1=CC(=C(C=C1)OC)CCNC(=O)CC2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3 1 2.819 3 5 0 -18.0875959642756 18559449 COC1=CC(=C(C=C1)OC)CCNC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3 1 2.784 3 5 0 -16.2646414507071 18559436 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)O)CS(=O)(=O)C3=CC=C(C=C3)F 1 1.961 2 7 0 -22.4399270774488 18559405 CCCCN1C=C(C(=O)C2=C1C=CC(=C2)C)S(=O)(=O)C3=CC=CC=C3 1 4.188 1 3 -5.89476292668243 18559336 CN1C=C(C(=O)C2=C1C=CC(=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 3.037 1 3 -3.82571002223319 18559315 CCCN1C=C(C(=O)C2=CC(=C(C=C21)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.213 1 5 -9.69179530470054 18559313 CCCN1C=C(C(=O)C2=C1C=CC(=C2)OCC)S(=O)(=O)C3=CC=C(C=C3)F 1 3.784 1 4 -6.97840713598698 18559312 CCCN1C=C(C(=O)C2=C1C=CC(=C2)OCC)S(=O)(=O)C3=CC=C(C=C3)C 1 4.064 1 4 -7.69028416145223 18559311 CCCN1C=C(C(=O)C2=C1C=CC(=C2)OCC)S(=O)(=O)C3=CC=CC=C3 1 3.578 1 4 -8.58629380068839 18559310 CCCN1C=C(C(=O)C2=C1C=CC(=C2)OC)S(=O)(=O)C3=CC=C(C=C3)OC 1 3.213 1 5 -7.43810761430929 18559309 CCCN1C=C(C(=O)C2=C1C=CC(=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C 1 3.715 1 4 -6.80948079498701 18559305 CCN1C=C(C(=O)C2=C1C=CC(=C2)OCC)S(=O)(=O)C3=CC=C(C=C3)C 1 3.54 1 4 -6.47853898577939 18559304 CCN1C=C(C(=O)C2=C1C=CC(=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C 1 3.192 1 4 -5.59773561931418 18559302 CCOC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC(=C(C=C3C2=O)OC)OC)C 1 2.673 1 6 0 -9.92218938573917 18559241 CCCN1C=C(C(=O)C2=C1C=CC(=C2)OCC)S(=O)(=O)C3=CC=C(C=C3)OC 1 3.562 1 5 -8.24852694179593 18559236 CCC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=C(C2=O)C=C(C=C3)OCC)C 1 3.648 1 4 -7.05537554863409 18559168 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC(=C(C=C3)Cl)NC4=NC5CS(=O)(=O)CC5S4 1 4.276 4 3 0 -12.9256495886263 18559162 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC4=NC5CS(=O)(=O)CC5S4 1 2.731 4 4 0 -9.57121708576804 18559161 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)NC4=NC5CS(=O)(=O)CC5S4 1 2.953 4 3 0 -6.56798171015981 18559117 C1C2C(CS1(=O)=O)SC(=N2)NC3=CC=C(C=C3)C(=O)NCCC4=CC=C(C=C4)Cl 1 3.482 3 3 -11.4482249625462 18559151 CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2OC)CS(=O)(=O)C3=CC=CC=C3 1 2.223 2 6 0 -29.0086097130649 18559116 C1C2C(CS1(=O)=O)SC(=N2)NC3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4Cl 1 3.16 3 3 -15.358780643821 18558861 CC(C)(C)C1=N/C(=C\C2=CC=CC=C2OC)/C(=O)O1 1 3.178 1 3 -5.51927509119149 18558755 CCSC(=NC1=CC=CC=C1)N2CCOCC2.Br Br- 1 2.654 2 1 -3.33002831417121 18558743 C1=CC=C(C=C1)C2=C([N+]3=C(S2)C=CC4=CC=CC=C43)N.C1=CC=C(C=C1)S(=O)(=O)[O-] [O-]S(=O)(=O)c1ccccc1 1 4.493 2 0 5.34143395615209 18558732 COC(=O)C1=CC=C(C=C1)CN2CCSC2=N.Br Br- 1 2.093 2 2 -7.73115323725307 18558543 CCCC1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)C.Br Br- 1 3.665 4 0 -5.76765533202215 18558490 CC1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)OC.Br Br- 1 2.039 4 1 -4.82507918723512 18575941 CCOC1=NN=C(C=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-] 1 3.793 5 7 0 -3.18232406970858 18575939 CCOC1=NN=C(C=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 4.076 4 5 0 -0.477255034571932 18575935 CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)OC)[N+](=O)[O-] 1 3.444 5 7 0 -2.88431611707364 18575932 CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)OC)[N+](=O)[O-] 1 3.444 5 7 0 -0.71178069958295 18575892 CC1=CSC2=NC(=O)C(=C(N12)O)C(=O)NCCN3CCOCC3 1 -0.171 4 4 0 -15.3627699392157 18575888 CC1=CSC2=NC(=O)C(=C(N12)O)C(=O)NCCCN3CCCC3=O 1 -0.281 4 4 0 -26.2465189539806 18575883 CC1=CSC2=NC(=O)C(=C(N12)O)C(=O)NCCCC3=CC=CC=C3 1 2.363 3 3 -14.3260856533597 18575875 CC1CCCCC1NC(=O)C2=C(N3C(=CSC3=NC2=O)C)O 1 2.18 3 3 -15.6210866619417 18575874 CC1=CSC2=NC(=O)C(=C(N12)O)C(=O)NC3CCCCCC3 1 2.317 3 3 -13.1029852250661 18575873 CC1=CSC2=NC(=O)C(=C(N12)O)C(=O)NCC3CCCO3 1 0.361 3 4 0 -17.6336679571053 18575872 CC1=CSC2=NC(=O)C(=C(N12)O)C(=O)NCCC3=CCCCC3 1 2.33 3 3 -15.8581764278972 18575870 CC1=CSC2=NC(=O)C(=C(N12)O)C(=O)NC3CCCCC3 1 1.861 3 3 0 -13.1029852250661 18575856 C1COCCN1CCNC(=O)C2=C(N3C=CSC3=NC2=O)O 1 -0.685 4 4 0 -17.1015593949501 18575852 C1CC(=O)N(C1)CCCNC(=O)C2=C(N3C=CSC3=NC2=O)O 1 -0.795 4 4 0 -27.985308409715 18575835 C1CCCC(CC1)NC(=O)C2=C(N3C=CSC3=NC2=O)O 1 1.803 3 3 0 -14.8417746808005 18575834 C1CC(OC1)CNC(=O)C2=C(N3C=CSC3=NC2=O)O 1 -0.153 3 4 0 -19.3724574128397 18575833 C1CCC(=CC1)CCNC(=O)C2=C(N3C=CSC3=NC2=O)O 1 1.816 3 3 0 -17.5969658836316 18575832 CC1CC(CC(C1)(C)C)NC(=O)C2=C(N3C=CSC3=NC2=O)O 1 2.057 3 3 -16.0310152387641 18575823 CC1CC(CN(C1)CCCNC(=O)C2=C(N3C=CC=CC3=NC2=O)O)C 1 1.125 4 3 0 -17.6572644606922 18575822 CC1CCCCC1NC(=O)C2=C(N3C=CC=CC3=NC2=O)O 1 1.546 3 3 0 -15.2695574323268 18575821 CC1CC(CC(C1)(C)C)NC(=O)C2=C(N3C=CC=CC3=NC2=O)O 1 1.937 3 3 0 -13.9406965534148 18575819 CC1CCCCC1NC(=O)C2=C(N3C=CC(=CC3=NC2=O)C)O 1 1.993 3 3 0 -12.6293618790022 18575818 CC1CC(CC(C1)(C)C)NC(=O)C2=C(N3C=CC(=CC3=NC2=O)C)O 1 2.383 3 3 -11.3005010000902 18575815 CC1CC(CN(C1)CCCNC(=O)C2=C(N3C=CC=C(C3=NC2=O)C)O)C 1 1.572 4 3 0 -17.282040836886 18575814 CC1CCCCC1NC(=O)C2=C(N3C=CC=C(C3=NC2=O)C)O 1 1.993 3 3 0 -14.8943338085206 18575813 CC1CC(CC(C1)(C)C)NC(=O)C2=C(N3C=CC=C(C3=NC2=O)C)O 1 2.383 3 3 -13.5654729296085 18575723 C1CN(CCN1CC2=CC(=O)C(=CO2)OCC(=O)NC3=CC=CC=C3F)C4=CC=CC=C4 1 2.264 3 4 0 -3.87252580178651 18575724 C1CN(CCN1CC2=CC(=O)C(=CO2)OCC(=O)NC3=CC(=CC=C3)F)C4=CC=CC=C4 1 2.264 3 4 0 -0.755650218654761 18575725 C1CN(CCN1CC2=CC(=O)C(=CO2)OCC(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4 1 2.264 3 4 0 -1.73738463229518 18575726 CC1=C(C=C(C=C1)NC(=O)COC2=COC(=CC2=O)CN3CCC4=CC=CC=C43)Cl 1 3.327 2 4 -13.2509539205081 18554663 C1CC(OC1)CNC(=O)CSC2=NC(=NS2)C3=CC=CC=C3 1 2.28 3 2 -15.6888688809392 18554631 CCN1CCN(CC1)C(CNS(=O)(=O)C2=CC(=C(C=C2)OC)C)C3=CN=CC=C3 1 2.117 4 3 0 -14.4703049662943 18554630 CCN1CCN(CC1)C(CNS(=O)(=O)C2=CC=CC=C2)C3=CN=CC=C3 1 1.647 4 2 0 -15.8586787068684 18554596 C1=CC(=CN=C1)C2=NC(=CS2)CCNS(=O)(=O)C3=CC=C(C=C3)F 1 2.223 3 2 -3.0960036041173 18554587 CC(=O)C(C(=O)N(C)C)SC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)OC 1 1.898 6 3 0 -8.39799537694313 18554434 C1CC(OC1)CNC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=CC=C4F 1 2.349 6 2 0 -25.2499337106801 18554392 C1CC(OC1)CNC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=C(C=C4)F 1 2.349 6 2 0 -23.9247978864545 18554343 C1CCC(CC1)NC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=CC=C4 1 3.643 6 1 0 -20.5020322282004 18554311 CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NC3=CC=CC=C3OC 1 1.613 2 5 0 -12.8494819448176 18554306 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C)N3CCC4(CC3)OCCO4 1 2.832 2 6 0 -13.9265371526251 18554288 C1C(C=CS1(=O)=O)N(C2=CC=C(C=C2)Br)C(=O)C3=CC4=C(C=C3)OCO4 1 2.717 1 5 -3.93618811533865 18554266 COC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 1.762 2 6 0 -16.8482186383343 18554245 CC1=C(C=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC4=C(C=C3)OCO4)C 1 2.941 1 5 -4.90968781976147 18554244 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C3CS(=O)(=O)C=C3)C4=CC=CC=C4 1 1.779 2 5 0 -16.937452517538 18554239 CCOC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.111 2 6 0 -17.6144417900423 18554233 CCOC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC4=C(C=C3)OCO4 1 2.301 1 6 0 -5.4807164216762 18554056 CC1CC2=CC=CC=C2N1C(=O)C(=O)C3=C(NC4=CC=CC=C43)C 1 3.597 2 2 -3.49267175866681 18554049 CC1CN(CC(O1)C)C(=O)C(=O)C2=C(NC3=CC=CC=C32)C 1 2.011 2 3 -6.47130502908419 18554044 COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(=O)C3=CNC4=CC=CC=C43 1 3.258 3 4 0 -10.2560534329898 18554040 CC(CCC1=CC=CC=C1)NC(=O)C(=O)C2=CNC3=CC=CC=C32 1 3.955 2 2 -4.27941486848053 18553764 C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C=NC4=C(C3=O)N=NN4CC5=CC=CC=C5 1 1.697 6 4 0 -20.0480435981255 18553656 CC(C)(C)CC1=NC2=C(C(=N1)SCC(=O)NCC3CCCO3)C(=O)N(C(=O)N2C)C 1 1.773 5 4 0 -28.1269205626627 18553630 CCC1=NC2=C(C(=N1)SCC(=O)NC3=C(C=C(C=C3)F)F)C(=O)N(C(=O)N2C)C 1 2.487 5 3 0 -17.6011984218962 18553625 CC1=NC2=C(C(=N1)SCC(=O)NC3CCCCC3)C(=O)N(C(=O)N2C)C 1 1.691 5 3 0 -23.7303345134429 18553560 CCS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)C4=CC=CO4 1 2.917 3 4 0 -12.9563567648068 18553559 CCS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)C4=CC=CC=C4 1 3.522 3 3 -14.0049951806749 18552964 C1CCC(=NCC1)NC2=CC=C(C=C2)SC(F)F.Cl Cl- 1 3.742 2 0 -4.70404610237485 18552900 CC1=C/C(=C(\C2=CC=CC=C2S(=O)(=O)[O-])/C3=CC(=C(C(=C3)Br)O)C)/C=C(C1=O)Br.[NH4+] NH4+ 1 3.216 0 5 6.32144665249178 18552868 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Br-] Br- 1 1.587 3 4 0 -6.35965661828709 18552838 C1=CC(=C[N+](=C1)CC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)N.[Br-] Br- 1 3.021 2 2 -2.0014837133304 18552734 COC1=CC=C(C=C1)C2=CSC(=NCCO)N2C3=CC=CC=C3.Br Br- 1 3.031 2 2 -3.76567468859612 17218162 CCC1=NOC(=C1C(=O)NC2=NC(=C(S2)C(=O)OCC)C)C 1 1.939 3 4 0 -20.3962265149501 17218011 CC1=C(OC2=CC=CC=C12)C(=O)NC3=NN=C(S3)C4CC4 1 3.188 3 2 -1.38975929224983 17217870 CC1=NC(=CC=C1)NC(=O)COC2=CC3=C(CCC3)C=C2 1 3.178 2 2 -6.17937644822012 17201689 CC1=CN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Cl 1 1.693 3 2 0 -1.60679840943039 17201686 C1CC1NC(=O)C2CC(=O)N(C2)C3=C(C(=CC=C3)Cl)Cl 1 2.128 2 2 -9.29458974022431 17201685 C1CC1NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Cl 1 1.463 2 2 0 -6.08755805162352 17201681 C1CCN(C1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Br 1 1.725 2 2 0 -10.3236660135141 17201042 C1C(=O)N(C(S1)C2=CC=C(C=C2)C(=O)N)CCC3=CC=CC=C3 1 2.569 2 2 -13.4848548816609 17192335 CC1CCCN(C1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.239 2 3 -12.1082726192618 17192333 C1CC(OC1)CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 1.156 2 4 0 -20.0703719426613 17191310 CC1=CC=C(O1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 1.352 2 5 0 -17.5127906980334 17191244 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NC=C3 1 1.871 3 3 0 -18.3441737583077 17191243 CC1CC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C 1 2.367 2 3 -19.1034349132545 17191141 CC1CCC2=C(C1)C=C(S2)C(=O)NCC3CCCO3 1 2.985 1 2 -13.9923987727954 17191117 CCC1CCC2=C(C1)C=C(S2)C(=O)NCC3CCCO3 1 3.441 1 2 -13.1322535747865 17191116 C1CCC2=C(C1)C=C(S2)C(=O)NCC3CCCO3 1 2.733 1 2 -14.9908552037131 17191115 C1CC(OC1)CNC(=O)C2=CC=C(S2)Br 1 1.918 1 2 0 -10.5354854142155 17178967 C1=CC=C(C(=C1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)Cl 1 3.255 3 3 -14.0958569836313 17178962 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3Cl 1 2.574 2 4 -24.3352477965896 17178068 CC1=CC=CC=C1C2=NN=C(O2)COC3=C(C=C(C=C3)Cl)C 1 4.526 2 2 -0.398189592710143 17174290 CCC1=NOC(=C1C(=O)NC2=CC=CC=C2C(C)(C)C)C 1 3.564 2 2 -14.1565548634042 17174146 CCC1=NOC(=C1C(=O)NCCC2=CC=CC=C2)C 1 2.491 2 2 -15.3786481372467 17173959 C1CN(CCC1NC(=O)CC2=C(C=CC=C2Cl)F)CC3=CC=CC=C3 1 3.637 2 1 -5.67786469627107 17173956 C1=CC(=C(C(=C1)Cl)CC(=O)NC2=CC=NC=C2)Cl 1 2.827 2 1 -6.53245721574148 17173832 CC1=CC(=NC=C1)NC(=O)COC2=CC3=C(CCC3)C=C2 1 3.381 2 2 -5.88532070003384 17173256 CC1=CC(=C(O1)C)C(=O)NCCC2=CC=C(C=C2)Cl 1 3.002 1 2 -6.86709570268689 17173009 CC1CCC(CC1)NC(=O)C2=C(C3=CC=CC=C3O2)C 1 4.229 1 2 -1.67505545316135 17166090 CCC(C(=O)N1CCCN(CC1)C)OC2=C(C=CC(=C2)Cl)Cl 1 3.435 2 2 -6.35252740092394 17165636 CC1=C(C(=CC=C1)OC(C)C(=O)N2CCCN(CC2)C)C 1 2.555 2 2 -7.08814661645284 17165448 CN1CCCN(CC1)C(=O)COC2=CC=CC=C2Br 1 1.847 2 2 0 -3.84620097832227 17165126 C1=CC(=CC(=C1)OCC(=O)NC2=CC3=C(C=C2)NN=C3)C(F)(F)F 1 3.036 3 2 -2.66646145926995 17164106 CC(C(=O)N1CCCN(CC1)C)OC2=CC(=CC=C2)Cl 1 2.247 2 2 -7.01522256360016 17155105 C1=CC=C2C(=C1)C=CC(=C2CNCCO)OCC3=CC=C(C=C3)Cl.Cl Cl- 1 3.968 1 2 5.67816465951531 17154152 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC(C)CCC2=CC=CC=C2 1 3.273 2 3 -17.4342369932712 17154096 CC1CN(CC(O1)C)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C 1 1.183 2 4 0 -15.7937889390098 17154073 CCOC(=O)C1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C 1 1.417 2 5 0 -14.8651332676097 17148782 CC1CCC(CC1)NC(=O)C2=C(OC(=C2)C)C 1 2.542 1 2 -10.8184383712425 17148772 C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)NN=C3 1 2.093 3 2 -5.98163229492112 17148763 CN1CCCN(CC1)C(=O)COC2=CC=CC=C2 1 1.099 2 2 0 -4.50994123926113 17148695 C1=CC(=CC=C1OCC(=O)NC2=CC3=C(C=C2)NN=C3)Cl 1 2.758 3 2 -3.6713995923655 17148692 CCC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)NN=C3 1 3.036 3 2 -5.7328364187314 17148690 CC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)NN=C3 1 2.58 3 2 -5.41654102340852 17148682 C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)NN=C3)F 1 2.464 3 1 -4.46048269791726 17148675 COC1=CC=CC=C1CC(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3 1 2.508 2 3 -12.2016627444427 17145690 CC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 -0.164 3 4 0 -19.2158910685833 17139274 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=CC=N4)[N+](=O)[O-].Cl Cl- 1 2.584 4 4 0 0.720438063422654 17139165 CC1=C(N=C(S1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CCNC(=O)C)C4=CC=CC=C4 1 2.494 4 3 0 -16.9110862841208 17139157 COC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCC(=O)N5 1 1.674 4 5 0 -10.9695552273996 17139121 CS(=O)(=O)NC1=CC2=C(C=C1)N(C=N2)CCC3=CC=CC=C3 1 2.367 3 2 -7.60606664157814 17139120 CCN1C=NC2=C1C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.355 3 4 0 -9.66555264146555 17139119 CC1=C(N=C(S1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4)C5=CC=CC=C5 1 1.836 4 4 0 -11.2387322405265 17139068 C1C(C2C3=CC=CC=C3C1C4=CC=CC=C24)CN.Cl Cl- 1 2.885 1 0 -2.23226220597887 17132676 COC1=CC(=C(C=C1)CNCC2=CC=C(C=C2)F)OC.Br Br- 1 3.123 1 2 3.53637558852793 17127035 CN1CCCN(CC1)C(=O)COC2=CC=CC(=C2)C(F)(F)F 1 2.041 2 2 -1.05493249938833 17127034 CC(C)C1=CC=C(C=C1)OCC(=O)N2CCCN(CC2)C 1 2.293 2 2 -3.73824753064069 17127033 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)CC=C 1 2.364 3 2 -10.2894836290831 17127028 C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)F)Cl 1 3.359 2 2 -5.79880200827094 17127021 CN1CCCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32 1 2.172 2 1 -1.80037892308641 17127018 CN1CCCN(CC1)C(=O)C2=C(C=CC=C2Cl)F 1 2.133 2 1 -4.25137888848039 17127009 COC1=CC=CC=C1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.846 2 4 0 -24.1803245531074 17127008 CC1CN(CC(O1)C)C(=O)CC2=CC=CC=C2C 1 2.207 1 2 -13.5094777219466 17123422 CC1=CC(=NC(=N1)SCCCNCC2=CC=C(C=C2)Br)C.Cl Cl- 1 3.676 3 0 -4.98513866662908 17123421 CCOC1=C(C=CC=C1OC)CNCCCSC2=NC(=CC(=N2)C)C.Cl Cl- 1 3.244 3 2 -8.50357041232242 17123420 CC1=CC(=NC(=N1)SCCCNCC2=C(C=CC=C2Cl)F)C.Cl Cl- 1 3.797 3 0 -8.01119751308053 17123417 C1=CN=C(N=C1)SCCCNCC2=CC(=C(C=C2)Cl)Cl.Cl Cl- 1 3.691 3 0 -1.14084499234888 17123416 CCOC1=CC=CC(=C1)CNCCCSC2=NC=CC=N2.Cl Cl- 1 2.695 3 1 -4.44391758179192 17123414 COC1=C(C=C(C=C1)CNCCCSC2=NC=CC=N2)OC.Cl Cl- 1 2.33 3 2 -7.54057397476185 17123413 COC1=CC(=C(C=C1)CNCCCSC2=NC=CC=N2)OC.Cl Cl- 1 2.33 3 2 -2.61308651022666 17123331 C1=CC(=C(C(=C1)Cl)CNCCCSC2=NC=CC=N2)F.Cl Cl- 1 3.232 3 0 -5.58380746233598 17123330 C1=CC(=C(C(=C1)Cl)CNCCCSC2=NC=CC=N2)Cl.Cl Cl- 1 3.691 3 0 -4.5857693956717 17123329 CSC1=CC=C(C=C1)CNCCCSC2=NC=CC=N2.Cl Cl- 1 2.904 3 0 -0.339459165943877 17123326 C1=CN=C(N=C1)SCCCNCC2=CC=C(C=C2)Br.Cl Cl- 1 3.111 3 0 -2.46035438935976 17112433 COC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)CC4=C(C(=C(C=C4)OC)OC)OC 1 3.408 2 6 0 -3.46766798870101 17108642 COC1=CC(=C(C=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC)OC 1 2.599 2 6 0 -22.8931104521677 17105175 C=CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3 1 1.586 2 3 0 -8.65499683607142 17102563 C1=CC=C(C(=C1)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)Cl 1 1.977 3 3 0 -14.0099737489215 17102527 C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.207 4 5 0 -15.5242345420906 17101180 CCCCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)S(=O)(=O)C3=CC=C(C=C3)C 1 3.711 2 4 -11.497103470993 17098791 C1=CC2=NSN=C2C=C1C(=O)NC3=C(C=C(C=C3)Br)F 1 3.696 3 1 0.321659312243887 17095622 CC1=NOC(=C1Cl)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.245 3 4 0 -0.102877167011168 17095613 CC1=NOC(=C1Cl)C(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.549 3 3 -0.854269121059897 17095612 CC1=NOC(=C1Cl)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.565 3 2 1.07839180741606 17095611 CC1=NOC(=C1Cl)C(=O)NC2=CC(=C(C(=C2)OC)OC)OC 1 2.258 2 5 0 -7.48862826530709 17095608 CC1=NOC(=C1Cl)C(=O)NC2=CC=C(C=C2)C(=O)C 1 2.047 2 3 -6.10685067883023 17095607 CC1=NOC(=C1Cl)C(=O)NC2=CC(=C(C=C2)F)Cl 1 3.177 2 2 -1.30983425810172 17095605 CC1=NOC(=C1Cl)C(=O)NC2=C(C=CC(=C2)Cl)O 1 2.729 2 3 2.04375702756937 17095596 CC1=NOC(=C1)C(=O)N2CCC3=CC=CC=C3C2 1 1.93 2 2 0 -11.5554184659796 17095591 CC1=NOC(=C1)C(=O)NC2=CC(=C(C(=C2)OC)OC)OC 1 1.593 2 5 0 -10.4819890670958 17095590 CC1=NOC(=C1)C(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 2.274 2 4 -11.3653537281011 17095589 CC1=NOC(=C1)C(=O)NC2=CC(=C(C=C2)OC)OC 1 1.61 2 4 0 -10.7156476988552 17095587 CC1=NOC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)C 1 1.382 2 3 0 -8.96037357639733 17095586 CC1=NOC(=C1)C(=O)NC2=CC=C(C=C2)C#N 1 1.521 3 2 0 -7.87143019527134 17095585 CC1=NOC(=C1)C(=O)NC2=CC=CC=C2C(=O)OC 1 1.498 2 4 0 -12.2627394643629 17095584 CC1=NOC(=C1)C(=O)NC2=C(C=CC(=C2)Br)O 1 2.149 2 3 -0.667883799383876 17088132 CN1C2=C(C=C(C=C2)NC(=O)COC3=C(C=C(C=C3)F)F)N(C1=O)C 1 2.135 3 3 -12.0914420302449 17088130 CCN(C1=CC=CC=C1)C(=O)COC2=C(C(=CC(=N2)C)C)C#N 1 3.04 3 2 -12.6965029401604 17082072 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 2.862 3 4 0 -19.1433153536 17096214 C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCCC(=O)NCC3=NC(=NO3)C4=CC=C(C=C4)Cl 1 1.895 4 4 0 -8.51926514912267 17096213 CN(CC1=NC(=NO1)C2=CC=C(C=C2)OC)C(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O 1 1.099 4 5 0 -11.5292958622781 17096211 CN(CC1=NC(=NO1)C2=CC=C(C=C2)Cl)C(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O 1 1.779 4 4 0 -9.29433096254718 17096109 COC1=C(C=C(C=C1)C2=NOC(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC 1 3.212 3 6 0 -2.32968360868958 17096096 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC(=NO3)C4=CC=CC=C4F 1 2.418 3 4 0 -2.38157669675383 17096081 C1COCCN1CCCNC(=O)C2=CC(=NO2)C3=CC=CC=C3F 1 1.824 3 3 0 -6.38758319164993 17096079 C1CC(OC1)CNC(=O)C2=CC(=NO2)C3=CC=CC=C3F 1 2.294 2 3 -8.46569377102405 17096062 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NO4)C5=CC=C(C=C5)F 1 3.45 3 4 0 2.0713080883324 17096045 C1COCCN1CCCNC(=O)C2=CC(=NO2)C3=CC=C(C=C3)F 1 1.824 3 3 0 -3.80558793503311 17096043 C1CC(OC1)CNC(=O)C2=CC(=NO2)C3=CC=C(C=C3)F 1 2.294 2 3 -5.88369851440723 17096027 COC1=CC=CC(=C1)C2=NOC(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 3.228 3 5 0 3.08632126791036 17095942 COC1=C(C=C(C=C1)C2=NOC(C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)OC 1 1.255 3 6 0 -12.5688669311061 17095886 COC1=CC(=CC(=C1OC)OC)C2=NOC(C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.101 2 7 0 -10.6022442808557 17095857 COC1=CC(=C(C=C1)OC)C2=NOC(C2)C(=O)NCC3=CN=CC=C3 1 1.205 3 4 0 -11.3870624708118 17095830 COC1=CC=CC(=C1OC)C2=NOC(C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.117 2 6 0 -7.59274131238201 17095821 C1CN(CCN1C(=O)C2CC(=NO2)C3=CC=CC=C3F)C(=O)C4=CC=CO4 1 1.493 3 4 0 -10.1755390006692 17095745 COC1=CC=CC=C1C2=NOC(C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.271 3 5 0 -11.5877420954092 17095681 COC1=CC=CC(=C1)C2=NOC(C2)C(=O)NCC3=CN=CC=C3 1 1.222 3 3 0 -7.23132605459419 17095630 CCC1=CC=CC=C1NC(=O)C2CC(=NO2)C3=CC=C(C=C3)OC 1 3.308 2 3 -5.88905069393075 17095631 COC1=CC=C(C=C1)C2=NOC(C2)C(=O)NC3=CC(=CC=C3)O 1 2.123 2 4 -1.87491102936053 17095640 COC1=CC=C(C=C1)C2=NOC(C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.134 2 5 0 -7.36324342910405 17095648 COC1=CC=C(C=C1)C2=NOC(C2)C(=O)NCC3=CN=CC=C3 1 1.222 3 3 0 -10.1777544223454 18293300 C1CCN(C1)C(=S)SCC(=O)NC2=CC3=C(C=C2Br)OCCO3 1 3.836 2 3 -11.789810166376 18293122 CCC1=CC(=CC=C1)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3 1 4.369 2 4 -16.4685941032996 18292750 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=O)NC3=CC=CC=C32)N 1 0.25 5 5 0 -12.2595208896418 18292629 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 3.733 2 4 -1.31853249241704 18292372 CC1=CC(=CC(=C1)OCC(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C 1 4.294 2 3 -10.782771380144 18291954 C1=NN=C(S1)SCC(=O)NCCNC(=O)CSC2=NN=CS2 1 -0.371 6 2 0 -16.4976027129658 18291889 CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -0.444 2 6 0 -30.4134416574726 18291781 CC(C(=O)C1=CC=CC=C1)OC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.636 2 5 0 -15.0599934679369 18291279 CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N(C)CC(=O)NC4=CC=C(C=C4)F 1 4.014 3 2 -6.33221957925345 18290654 CC1CCCC(C1C)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 3.987 2 3 -20.5775672687046 18290521 C=CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCCC2=CCCCC2 1 4.14 1 4 -18.2882877583824 18290466 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC(=CC2)C3=CC=CC=C3)OCC 1 3.054 2 4 -18.155593804588 18289822 CC1=CC=C(C=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C 1 4.365 1 5 -15.9151473247948 18289352 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCCCC2 1 -4.3e-002 3 6 0 -18.2622045412988 18289123 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CO/N=C(/C2=CC=CC=C2)\N 1 1.389 4 4 0 -12.4208552279736 18289101 C1CCC(CC1)CCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 4.57 2 2 -7.14464580237668 18288869 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCN3CCOCC3 1 1.684 3 5 0 -12.4157008740589 18288832 C1CN(CCN1CC(COC2=CC=C(C=C2)F)O)CC(COC3=CC=C(C=C3)F)O 1 2.931 2 4 -1.70239992325986 18288763 C=CCNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2 1 4.405 2 1 -14.833430951992 18288678 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C 1 2.362 3 3 -8.8157841629677 18288168 CC1CCC(CC1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 5.305 3 2 0.655311034087229 18288162 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=CC=CC=C3Cl 1 1.143 3 5 0 -27.0478195364204 18288145 CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl)OCC 1 4.575 3 3 -12.2414107165783 18287736 CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=CC=C4 1 2.822 4 3 0 -8.90145650535636 18287527 C1=C(OC(=C1)[N+](=O)[O-])C(=O)OCCCOC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.08 2 10 0 -3.15320133073272 18287304 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=CC=C2)N3C=NN=N3)N 1 1.076 8 3 0 -22.0756612671452 18286992 C1=CC=C(C(=C1)C(=O)NCC(=O)OCCCOC(=O)CNC(=O)C2=CC=CC=C2F)F 1 1.782 2 6 0 -12.6235361110928 18286878 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NC(C)C2=CC=C(C=C2)N3C=CN=C3)OCC 1 2.393 4 4 0 -19.6971842331641 18286496 CC1=C(C=C(C=C1)C(C)C)OCC(=O)NC2CCCCCCC2 1 5.324 1 2 -6.41549104133392 18286206 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=NN=C(S4)CC(C)C)C 1 3.811 6 1 0 -3.79250321321641 18286092 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 3.676 2 4 -16.2215628250293 18285871 CSCC1=CC=C(C=C1)C(=O)NCCSC2=CC=C(C=C2)Br 1 4.525 1 1 -9.23656026416373 18284996 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C(=O)C)C 1 2.375 2 5 0 -18.3909648808879 18284739 CSCCC(C(=O)OCC1=CC=C(C=C1)Cl)NC(=O)COC2=CC=CC=C2 1 3.639 1 4 -13.9202956464677 18284689 CC(C1=CC=CC=C1OC)NS(=O)(=O)C2=CN=C(C=C2)Cl 1 2.408 2 3 -13.3154439610267 18284179 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)Cl)C 1 5.03 4 1 3.17766289306762 18283625 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC3=CC=CC(=C3C)C 1 3.407 3 3 -10.3044242099159 18283444 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC3=C(S2)CCCCC3)N 1 3.982 4 3 0 -11.7781816294694 18283398 CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N(C)CC(=O)NC4=CC=C(C=C4)C 1 4.295 3 2 -7.0440966047187 18282681 CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 3.046 3 5 0 -8.90070448050087 18282358 C1=CC(=C(N=C1)Cl)C(=O)NNC(=O)C2=CC=C(C=C2)F 1 1.8 3 2 0 -3.12925636865636 18282351 COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.871 3 3 -23.8616596215291 18281791 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC3=C(S2)CCCCC3 1 4.964 2 2 -14.2956853098399 18281762 CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)COC2=CC=CC=C2CC3=CC=CC=C3 1 4.821 1 4 -7.63940182954061 18281751 C1CCC(=CC1)CCNS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F 1 5.188 1 3 -4.03762361362893 18281639 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)COC2=CC=C(C=C2)C(=O)C)N 1 0.442 4 6 0 -13.5707682685027 18280981 CC1=CN=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C 1 0.823 4 4 0 -25.0574862944571 18280788 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3 1 4.122 2 3 -13.314284339022 18280623 CC1CCC(CC1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.366 4 3 0 -22.1040021723499 18280384 C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC(=O)C3=CC=C(C=C3)Br 1 1.958 2 5 0 -6.2788004641281 18280137 CCOC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)OCC 1 2.336 2 6 0 -13.1394295807649 18279828 CC(C(=O)NCC1CCCO1)SC2=NN=C(N2N)C3=CC=C(C=C3)OC(F)F 1 2.418 5 3 0 -12.5970740709807 18279774 CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 1.884 4 6 0 -21.0765712622273 18279608 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(C)(C)C)C 1 5.102 4 1 0.996763896918659 18279247 C1COCCN1C2=CC=CC=C2NC(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 2.521 3 3 -14.2445052314739 18279234 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)Cl 1 5.084 2 3 -9.10965186377284 18278515 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 2.125 2 6 0 -22.0139767573386 18278387 CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 0.9 4 7 0 -18.1549655237156 18278132 C1=COC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 1.54 3 5 0 -8.26128879775231 18277842 CC1CCN(CC1)C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC 1 2.329 1 5 -8.13037049369259 18277760 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CCCC2=CNC3=CC=CC=C32 1 3.167 3 4 0 -17.6566830723041 18277750 C=CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CO2 1 2.578 1 5 -17.5458756410569 18277682 CC1CC1C(=O)OCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 0.174 4 6 0 -10.5342888761953 18277563 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)NCC3=CC=CO3 1 0.52 2 7 0 -29.859927757886 18277263 COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C3=CC=CC=C3)CSCC(=O)O 1 5.234 0 4 -5.92285983232346 18277234 C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)CCNC(=O)C2=CC=C(C=C2)Cl 1 3.536 2 2 -10.9275043571251 18276814 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CCC2CCCCC2)N 1 2.031 4 4 0 -12.435649394915 18276569 CCCCC1CCC(CC1)C(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CCCC)N 1 4.272 4 3 0 -13.1558419869255 18276282 C1COCCN1CCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.246 4 6 0 -14.4011338520021 18275834 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NCC3=CC=CO3)C 1 2.072 2 6 0 -23.8379810506063 18275795 C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 3.437 2 3 -12.5977808486735 18275689 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC3=CC(=C(C=C3)F)F 1 2.846 3 3 -10.2865476986102 18275636 CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C 1 2.737 2 6 0 -15.5920822728468 18275510 C=CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCCC2=CC=CC=C2 1 3.718 1 4 -15.6156503594282 18275308 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=C(C=C(C=C3)N4CCCC4)C)C 1 3.308 4 3 0 -7.97958299004399 18275129 CC1CC2=CC=CC=C2N1C(=O)COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C 1 3.091 1 5 -19.3560859118958 18274677 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=CC=C2)N3C=NN=N3)N 1 -0.246 8 4 0 -21.4951395728964 18274167 CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 1.255 3 6 0 -20.7813436208673 18274125 CC1=NN=NN1/C(=C\C2=CC=CC=C2)/C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)F 1 2.511 5 3 0 -9.29943914746653 18274031 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 2.802 4 4 0 -29.6016528054261 18273903 C1CCN(C1)C2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)Br 1 4.021 2 1 -4.82660968407773 18273730 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C#N)C 1 3.58 5 1 -1.06816494981648 18273725 CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)Cl 1 2.979 2 2 -5.27495551747091 18273205 CCOC1=CC=CC=C1NC(=O)COC(=O)CCOC2=C(C=CC(=C2)C)C 1 3.71 1 5 -11.955905843488 18273120 CC1=CC=CC=C1C(=O)NCC(=O)OCCOC2=CC(=C(C=C2)C(C)C)C 1 4.543 1 4 -15.6251337779248 18272685 C1COC(=CO1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 -0.439 2 5 0 -13.3733501907811 18272322 CC1=NC(=CC=C1)NC(=O)C2=CN=C(C=C2)Cl 1 2.008 3 1 -5.57592707413601 18272027 CC1CN(CC(O1)C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl 1 4.232 2 2 -8.79144086277477 18271790 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=O)NC3=CC=CC=C32)N 1 1.572 5 4 0 -12.8400425838906 18271743 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NNC(=O)C3=CC=C(C=C3)Br 1 1.159 4 4 0 -10.0561484634934 18271137 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=NC=C2)N 1 1.039 5 3 0 -10.8238704275435 18270772 CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.907 2 5 0 -7.96180668453698 18270660 CC1=CC(=C(C=C1)C)OCC(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 4.294 2 3 -9.87207771059343 18270480 CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)C3=COCCO3)N 1 0.479 4 6 0 -10.6229399123129 18270412 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CCC4=CC=CC=C4C3 1 4.731 1 2 4.55626007671077 18270261 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)COC2=C(C=CC=C2C)C)N 1 1.675 4 5 0 -12.2555587180129 18270140 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 1.298 3 6 0 -16.3481064012475 18269965 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)OCC(=O)C3=C(C=CC(=C3)OC)OC 1 2.223 2 7 0 -11.576662954924 18269776 CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N(C)CC(=O)NC4=CC=C(C=C4)OC 1 3.792 3 3 -7.45706281386284 18269413 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3OC 1 4.908 1 2 -4.6698129611052 18269405 CC1=C(C(=CC=C1)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)C 1 4.399 2 4 -15.0344053190638 18269094 COC(=O)C1=CC=C(C=C1)COC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2 1 2.831 1 6 0 -18.7564281537915 18268660 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=COCCO3 1 1.272 2 6 0 -21.7613626412682 18268584 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC3=CC=CC=C3C(=O)N 1 1.514 3 5 0 -24.87459506694 18268553 CC1=C(C=CC(=C1)OCC(=O)NC2=CC=CC=C2N3CCCCC3)C(C)C 1 5.209 2 2 -6.35244373466076 18268474 CCCCOC1=C(C=C(C=C1)C(=O)NN2C(=O)C3(CCCCC3)NC2=O)OC 1 3.102 3 5 0 -13.189582763766 18268369 C1=CC=C(C=C1)CC2=CC=CC=C2OCC(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3 1 4.316 2 4 -13.8803728135809 18268333 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)N(C)C2=CC=CC=C2 1 0.616 3 6 0 -16.5639636090198 18267706 CCCCC1CCC(CC1)C(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CCCC)N 1 2.949 4 4 0 -12.5753202926767 18267644 C1=CC=C(C(=C1)CN2C=CSC2=NC(=O)COC(=O)C3=C(C=C(C=C3)O)O)Cl 1 3.182 2 5 0 -6.42530716248041 18267590 C1=CC=C(C=C1)COC(=O)CNC(=O)CNC(=O)C2=CC=C(O2)Br 1 1.351 2 5 0 -16.7778739955106 18267501 CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CN2C(=O)C(NC2=O)(C)C)C 1 1.342 4 5 0 -17.1080023972304 18267345 C1=CC=C(C(=C1)C#N)OCC(=O)OCCCOC(=O)COC2=CC=CC=C2C#N 1 2.68 2 6 0 -8.55274049817155 18267163 CC(C)C(C)NC(=O)CON1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N=N1 1 -1.31 5 5 0 -19.4447361435512 18266985 CC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2CCCC3=CC=CC=C23 1 3.374 2 4 -14.7368864684917 18266921 C1COCCN1CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 1.359 3 4 0 -14.3468077434014 18266840 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.997 3 3 -8.3929945253949 18266748 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)OC)OC)C 1 3.669 4 3 0 -0.465811382224644 18266728 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F 1 0.572 4 5 0 -20.481274130523 18231388 CSCCC(C(=O)NNC(=O)C1=CC=CC=C1O)NC(=O)C2=CC=CC=C2Cl 1 2.165 3 4 0 -14.3833969992474 18231313 CC1=CC=CC=C1C(=O)NCC(=O)OCCCOC(=O)CNC(=O)C2=CC=CC=C2C 1 2.343 2 6 0 -13.8206882007336 18231087 C1=CC=C(C(=C1)C#N)OCC(=O)NCCNC(=O)COC2=CC=CC=C2C#N 1 1.323 4 4 0 -10.9960821225368 18230880 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=CC=C(O2)C)OCC 1 3.323 1 6 0 -14.2720698688448 18230753 CC(C(=O)NCC1CCCO1)SC2=NN(C(=S)S2)C3=CC=C(C=C3)Cl 1 5.502 3 2 -13.0058323456619 18230751 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C(C)OC2=CC=C(C=C2)Cl)N 1 3.31 4 4 0 -7.81094681264422 18230237 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3[N+](=O)[O-] 1 2.667 4 5 0 -18.1300885972003 18230215 C1CCC(CC1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 4.765 1 2 0.554121749123964 18229954 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=CC3=O 1 1.783 4 4 0 -18.7552962219035 18229848 C1CN(CCC1C(=O)OCCOC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 3.571 1 5 -16.5676165483794 18229568 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CC3=CC=CS3 1 1.114 2 6 0 -26.2826528669133 18229008 CCC1=CC=C(C=C1)OCC(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl 1 3.636 2 4 -7.08862374985193 18228931 CCOC1=C(C=C(C=C1)CCNC(=O)CCNC(=O)C2=CC=CC=C2Cl)OCC 1 3.58 2 4 -21.3364302900012 18228797 C1CCN(C1)C(=S)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F 1 2.721 3 3 -22.5063741751582 18228768 CC1CC1C(=O)OCC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 0.305 4 5 0 -9.53589469786857 18228746 CC(C(=O)NCC1CCCO1)SC2=NN=C(N2N)C3=CC=CC=C3F 1 1.818 5 2 0 -16.2910599388753 18228726 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2C(=O)C(NC2=O)CC3=CC=CC=C3 1 0.839 4 5 0 -15.2431315033739 18228427 COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F 1 3.871 3 3 -22.9663888208841 18228266 CC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)NC(C)C2CC3CCC2C3 1 2.533 2 4 -18.7622979611556 18228160 CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CC=CS2)S(=O)(=O)N3CCOCC3 1 1.6 2 6 0 -24.7677681311963 18227975 COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CS2)C3=CC=CC=C3)C(=O)OC 1 3.932 1 4 -9.65216922686033 18227907 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)N3CCOCC3 1 -0.187 3 6 0 -25.5412199208992 18226902 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCCN3CCOCC3)F 1 2.043 3 4 0 -10.6581224787797 18226811 CC1=NN(C(=C1C(=O)NCCC2=CC=C(C=C2)OC)Cl)C3=CC=CC=C3 1 3.894 3 2 -6.98198665673782 18226380 C1CCN(C1)C2=CC=CC=C2NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 3.21 3 2 -13.6039746766961 18226276 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 3.882 3 2 -10.3829454516834 18225758 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4 1 2.031 4 5 0 -16.776856584622 18224993 CC1=CC(=C(C=C1)Cl)OCC(=O)OC(C)C(=O)NC2CC2 1 2.705 1 4 -11.5561848412787 18209741 C1=CC=C(C(=C1)C(=O)NNC(=O)CNC(=O)C2=CC=CC=C2F)O 1 0.894 3 4 0 -11.9569980875301 18209353 COCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 0.282 2 6 0 -25.6923363241368 18208904 CCOC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2N3CCCC3 1 3.405 2 3 -6.13780055885245 18208902 C1CN(CCC1C(=O)OCC(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.239 2 5 0 -24.2980642404892 18208836 CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 2.637 2 5 0 -4.20850808159618 18208794 COC1=C(C=C(C=C1)Cl)C(=O)NCC(=O)OCC2=CC=CC=C2 1 2.976 1 4 -9.83588343556394 18208436 CCOC1=C(C=C(C=C1)CCNC(=O)CCNC(=O)C2=CC=CO2)OCC 1 2.31 2 5 0 -20.3839205754664 18208408 CC1CCCCN1C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C 1 2.807 2 5 0 -20.5151237967924 18208378 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=C(C=C2)N3CCCC3)C)C4=CC=CC=C4 1 3.345 4 3 0 -9.22484902631212 18208153 C1=CC=C2C(=C1)N=CC(=O)N2CC(=O)NNC(=O)COC3=CC=CC(=C3)C(F)(F)F 1 1.631 4 4 0 -6.1521967818949 18208081 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCOC3=CC=CC=C3)C 1 3.879 1 5 -16.2150847424298 18208034 CCN(CC1=CC=CC=C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.693 3 4 0 -19.4775083400112 18207859 CCN(CC1=CC=CC=C1)CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3 1 2.179 3 4 0 -17.9626236042941 18207493 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 2.787 1 6 0 -10.9741542513194 18207127 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C#N)Cl)C 1 4.245 5 1 0.20249804339058 18206720 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=C(ON=C2C)C)N 1 -0.251 5 5 0 -14.0141001781428 18206470 CC1=CC=C(C=C1)OCCOC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2 1 3.51 1 5 -18.1110497126714 18206226 CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2 1 1.687 1 6 0 -22.6106265511706 18206076 CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C2=C(C=CC(=C2)C)C 1 0.835 2 5 0 -22.9596310064241 18206057 C1CN(CCC1C(=O)OCC2=CC=CC=N2)C(=O)C3=CC=C(C=C3)Cl 1 2.883 2 3 -5.38785091844333 18205594 C1=CC=C(C=C1)CCNC(=O)COC(=O)CNS(=O)(=O)C2=C(C(=C(C=C2)F)F)F 1 2.029 2 5 0 -16.3041175572229 18205585 C1=CC(=CC(=C1)F)C(=O)NCC(=O)OCCCOC(=O)CNC(=O)C2=CC(=CC=C2)F 1 1.782 2 6 0 -9.83695955587263 18205317 CCC1=CC=C(C=C1)OCC(=O)NNC(=O)CC2=C(C=CC=C2Cl)F 1 3.554 2 3 -9.45200049722527 18205115 C1=CC=C2C(=C1)C(=CC(=N2)Cl)C(=O)NCC(=O)NC3=CC=CC=C3Br 1 3.482 3 2 -14.8738245655204 18205069 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NCC2=CC=CO2 1 -0.401 3 7 0 -22.3485210465476 18204435 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NC)C 1 2.91 5 2 0 -4.70963940173606 18204049 C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CCN.Cl Cl- 1 1.087 2 4 0 -5.30128994956727 18201879 CC(C(=O)NCC1CCCO1)SC2=NC(=CC(=N2)N)N 1 0.601 5 2 0 -14.064732845434 18201597 CCC1(C(=O)N(C(=O)N1)CC(=O)N(C)CC(=O)NC2=C(C=CC=C2C)C)C3=CC=CC=C3 1 2.474 4 4 0 -16.3358560564018 18201230 CN(CC1=CC=CC=C1F)C(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.656 2 3 -4.45642876071252 18199957 C1COCCN1S(=O)(=O)C2=CN=C(C=C2)OC3=CC(=C(C=C3)F)Cl 1 2.453 2 4 -12.6251768357412 18199951 C1COCCN1S(=O)(=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 1.477 3 6 0 -15.9771293635835 18193174 COC1=CC=CC=C1OCC(=O)NC2CCSC3=CC=CC=C23 1 2.892 1 3 -13.5702780566404 18193158 C1CSC2=CC=CC=C2C1NC(=O)C3=CC=CC=C3Cl 1 3.737 1 1 -8.8865101751116 18193157 C1CSC2=CC=CC=C2C1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.967 2 3 -11.8752088695418 18191784 CCC1=NOC(=C1C(=O)N(CC)CC(=O)NCC2=CC=C(C=C2)Cl)C 1 2.449 3 3 -20.5609765147959 18191771 CCC1=NOC(=C1C(=O)N(C)CC(=O)NC2=C(C=C(C=C2)Br)C)C 1 2.664 3 3 -18.8010911709765 18191001 CCC1=NOC(=C1C(=O)NC2=NN=C(S2)C(CC)CC)C 1 2.94 4 2 -19.7246721297407 18190994 CC1=NN=C(S1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 3.218 3 2 -3.63410940646411 18190988 CCC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C 1 2.319 3 4 0 -24.0324530254872 18190987 C1CN(CCN1C(=O)C2=CC=C(O2)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CS4 1 3.484 2 4 -10.4600721689624 18190709 CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N4CCCCCC4=NS3(=O)=O 1 2.896 3 3 -9.19106234882053 18190094 COC1=CC=CC(=C1)CC(=O)NC2=CC=CC=C2N3CCCC3 1 3.256 2 2 -5.38599249555815 18190088 CN(CC(=O)NC1=CC=CC=C1N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.412 3 3 -9.19500048054024 18190087 CC1=C(C(=NO1)C)C(=O)NC2=CC=CC=C2N3CCCC3 1 2.12 3 2 -9.98054149260753 18190086 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCC4 1 3.313 3 3 -11.4273210991298 18171334 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC2=CC=CC=C2C#N 1 1.715 2 4 0 -16.7320147289737 18171330 COC1=C(C=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)Br 1 2.553 1 5 -2.81835816638981 18170725 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CC2CC3CCC2C3 1 2.247 2 3 -6.33748472521861 18170542 C1COC(=CO1)C(=O)NC2=CC(=C(C=C2)F)F 1 0.939 1 3 0 -4.56728128560106 18170495 C1=CC(=CC(=C1)N2C=NN=N2)C(=O)NC3=C(C=CC(=C3)F)F 1 1.912 5 1 0 -16.1004370570227 18170464 CC(CCC1=CC=CC=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 3.832 2 2 -18.4738149672343 18170450 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=COCCO3)Cl 1 1.227 2 5 0 -17.0920366215212 18170434 CC1=C(C=C(C=C1)C(=O)N(C)CC2=CC(=CC=C2)OC)S(=O)(=O)N3CCCCC3 1 3.331 2 4 -17.1209799157229 18170386 CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=COCCO3 1 2.421 1 5 -7.26917238584077 18170330 COC1=CC(=C(C=C1NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)Cl)OC 1 2.303 2 6 0 -9.81661804402718 18170306 CCCCC1=NN=C(S1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C 1 2.383 4 3 0 -16.612771115663 18170239 C1=CC(=CC=C1OCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)F 1 2.862 4 2 -7.50119240136389 18170180 CC1=C(C=CC=C1Cl)NC(=O)C2=COCCO2 1 1.679 1 3 0 -4.05687166456799 18169460 C1CCC(CC1)(CNC(=O)CSC2=CC=C(C=C2)F)N3CCOCC3 1 3.178 2 2 -10.9678768955471 18168670 C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)CCC(=O)C2=CC=CS2 1 3.472 1 2 -11.8282266806986 18168603 CC1=C(C(=NO1)C)CSCC(=O)NC2=NC3=C(S2)C=C(C=C3)F 1 2.728 3 2 -13.1936748497177 18168546 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=NN=C(S2)CC(C)C 1 2.179 4 3 0 -14.0224307729177 18168455 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=CC=CC=C4Br 1 2.42 2 4 -7.25047978551022 18168412 C1CC(OC1)CNC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 1.453 2 3 0 -20.1937732741498 18168176 CC1=CC(=CC=C1)NC(=O)CSCC(=O)N(C)CC2=CC(=C(C=C2)Cl)Cl 1 4.095 2 2 -8.06780485759452 18166907 COC1=CC(=C(C=C1NC(=O)C2=COCCO2)OC)Cl 1 1.16 1 5 0 -11.3829452527578 18166380 C1CN(CCN1C2=CC=CC=N2)C(=O)/C=C/C3=CC=CC=C3F 1 2.935 3 1 -1.44562313941701 18166274 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=COCCO3 1 1.018 2 5 0 -18.9438327453595 18164709 C1=CC=C(C(=C1)C#N)OCC(=O)NNC(=O)C2=CC=NC=C2 1 0.435 4 3 0 -11.7489729761 18164615 CCOC1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F 1 2.449 2 5 0 -20.7588120659056 18164017 CSCCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 2.051 3 3 -14.8441216638215 18163749 C1CC1NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.405 2 2 -7.48607069759732 18162042 C1=COC(=C1)C(=O)NCCC(=O)NNC(=O)C2=CC=C(C=C2)Br 1 1.323 3 4 0 -14.4337930130432 18161996 CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 2.793 3 2 -9.58071754253854 18161985 CC(C1=CC=CC=C1)NC(=O)CCC(=O)C2=CC=CS2 1 2.907 1 2 -16.9174027525644 18161926 C1CCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.397 2 3 -6.57169426508123 18161640 CC1=CC=CC=C1OCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3 1 2.781 2 4 -15.7569438156905 18161618 CC1=CC(=NN1CC(=O)NNC(=O)CCC2=CC=C(C=C2)OC)C 1 1.275 4 3 0 -17.292986431356 18161467 CC(C(=O)NCC(C1=CC=CO1)N2CCCCC2)SC3=CC=C(C=C3)Cl 1 4.536 2 2 -10.5787093480288 18161438 CC1=C(C=C(C=C1)C(=O)NCC(=O)NCC(C2=CC=CO2)N3CCCCC3)C 1 3.026 3 3 -19.4021822123411 18161437 COC1=CC(=CC(=C1)C(=O)NCC(=O)NCC(C2=CC=CO2)N3CCCCC3)OC 1 2.021 3 5 0 -22.2618547670901 18161433 CCOC1=CC=CC=C1C(=O)NCC(=O)NCC(C2=CC=CO2)N3CCCCC3 1 2.386 3 4 0 -22.2474911586552 18161373 CC1=CC=CC=C1OCC(=O)NCC(C2=CC=CO2)N3CCCCC3 1 3.316 2 3 -14.6495955218824 18161356 C1CCN(CC1)C(CNC(=O)COC2=CC=CC=C2)C3=CC=CO3 1 2.83 2 3 -15.214686793395 18161307 CC1=CSC(=N1)NC(=O)CSC2=NN=CS2 1 0.761 4 1 0 -13.5956240464773 18160419 CC1CCCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.862 3 5 0 -11.2973987681129 18160414 CC1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 2.951 2 4 -9.71169628071172 18160405 COC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 3.057 3 3 -2.01612909091564 18160218 CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)NCC3CCCO3 1 2.341 1 4 -10.1791639519917 18160210 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC3CCCO3 1 2.81 1 4 -0.825860639677837 18160207 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2CCCO2 1 0.74 2 5 0 -21.6149002489989 18160119 C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)N3CCCCC3 1 3.951 2 2 -18.576431121794 18159784 CC1=CC=CC(=C1)C(=O)NCC(=O)NCCSC2=CC=C(C=C2)Br 1 3.522 2 2 -11.4116780031961 18159531 COC1=CC=CC(=C1)CNC(=O)CCNC(=O)C2=CC=CO2 1 1.308 2 4 0 -16.3120731893603 18159522 COC1=CC=CC(=C1)CNC(=O)C2=CC=NC=C2 1 1.454 2 2 0 -8.16674262302923 18159432 CC1=CC=C(C=C1)OCC(=O)NNC(=O)CN2C3=CC=CC=C3N=CC2=O 1 1.175 4 4 0 -9.02157728327412 18159202 CC1CCCC(C1C)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 3.523 2 2 -15.9333900681486 18159201 CC1CCCC(C1C)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.556 3 4 0 -16.982958134424 18159098 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 4.393 1 4 -11.9663798615795 18159091 CC1=CC=C(C=C1)OCCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.479 1 4 -14.5445140106908 18159064 CCCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3 1 3.315 2 4 -23.6641825431447 18158966 CSCCC(C(=O)NC1CCCCCC1)NC(=O)C2=CC=CO2 1 2.619 2 3 -19.529189344731 18158956 C1=COC(=C1)C(=O)NCCC(=O)NCCC2=CC=C(C=C2)Cl 1 2.31 2 3 -12.889531615895 18158890 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 3.131 2 4 -13.2967379065412 18158792 CC(C(=O)NNC(=O)CCNC(=O)C1=CC=CO1)OC2=CC=CC=C2F 1 1.099 3 5 0 -17.6241264943629 18158713 CCC1=CC=C(C=C1)C(=O)NNC(=O)CN2C3=CC=CC=C3N=CC2=O 1 1.796 4 3 0 -9.95517970891833 18157938 CC1=C(OC2=CC=CC=C12)C(=O)NCC(C)(C)N3CCOCC3 1 2.528 2 3 -1.38223874127703 18157936 CC1=CC(=C(C=C1)C)OCC(=O)NCC(C)(C)N2CCOCC2 1 2.254 2 3 -11.4696217282672 18157903 COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CO2)N3CCOCC3 1 1.855 2 4 0 -14.4164429277404 18157893 CC1=CC(=C(C=C1)C)OCC(=O)NCC(C2=CC=CO2)N3CCCCC3 1 3.802 2 3 -13.9663382344547 18157886 CC1=CC=C(S1)C(=O)NCC(C2=CC=CO2)N3CCCCC3 1 3.093 2 2 -13.1853619390096 18157867 CC1=C(OC2=CC=CC=C12)C(=O)N(CC3=CC=CO3)CC4=CC=CS4 1 4.414 1 3 -0.461534036704007 18157799 CC1CCC(CC1)NC(=O)C2=CC=C(S2)C 1 3.247 1 1 -9.16806775709337 18156387 CC1=C(OC2=CC=CC=C12)C(=O)NCC3CCCO3 1 2.478 1 3 -2.96243173421749 18154648 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)Cl 1 3.677 2 5 0 -2.93482556204949 18154449 CC(C1=CC=CC=C1)NC(=O)CCNC(=O)C2=CC=CO2 1 1.702 2 3 0 -19.0343513591331 18153484 COC1=CC=CC(=C1)CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3 1 4.112 2 2 -9.40378057347436 18152399 C1CN(CCC1C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4F 1 3.065 3 2 -12.2312325501043 18152398 C1CN(CCC1C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)F 1 3.065 3 2 -11.8834180290454 18151972 COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC 1 1.074 2 6 0 -8.38433876108021 18150867 CC1=C(C=C(C=C1)C(=O)NCC(=O)NCC(C2=CC=CS2)N3CCOCC3)C 1 2.355 3 3 -17.9307084454793 18150862 C1COCCN1C(CNC(=O)CNC(=O)C2=CC=CC=C2F)C3=CC=CS3 1 1.588 3 3 0 -20.0668582155684 18150860 CC1=CC=C(C=C1)C(=O)NCC(=O)NCC(C2=CC=CS2)N3CCOCC3 1 1.869 3 3 0 -18.0074205471128 18150834 CSC1=C(C=CC=N1)C(=O)NCC(C2=CC=CS2)N3CCOCC3 1 2.253 3 2 -18.068015678184 18150831 C1COCCN1C(CNC(=O)COC2=CC=CC=C2C#N)C3=CC=CS3 1 2.037 3 3 -15.7789034027829 18150829 CC1=CC=CC=C1OCC(=O)NCC(C2=CC=CS2)N3CCOCC3 1 2.644 2 3 -13.1781217550206 18150824 COC1=CC=CC=C1OCC(=O)NCC(C2=CC=CS2)N3CCOCC3 1 2.142 2 4 -17.1385843078814 18150801 CSCC1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3 1 2.872 2 2 -16.1434732866527 18150783 CC1=CC(=C(C=C1)Cl)OCC(=O)NCC(C2=CC=CS2)N3CCOCC3 1 3.309 2 3 -12.7827703131113 18147179 CCC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 2.05 2 4 -2.48816735368789 18147169 CC(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 2.301 2 4 -2.894001285391 18146337 CC1=C(C=C(C=C1)NC(=O)C2CCC2)S(=O)(=O)N3CCCCCC3 1 3.141 2 3 -11.3419477010609 18144558 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3F 1 2.597 2 3 -16.4052938428213 18142899 CCC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)C3=CC=C(C=C3)OC 1 3.758 2 3 -2.52726696849993 18142295 C1=CC(=CC=C1C#N)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.191 4 3 0 -16.0555759044041 18138289 C1=CC=C(C(=C1)C(=O)NCCC(=O)NC2=CC=NC=C2)Cl 1 1.436 3 2 0 -13.2616909446707 18136488 C1CC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3F 1 2.22 2 3 -11.7857324524023 18136223 C1COCCN1C(CNC(=O)CCNC(=O)C2=CC=CC=C2Cl)C3=CC=C(C=C3)F 1 2.654 3 3 -23.2154610829912 18135825 CC1CCCN(C1)C(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.452 2 2 -14.647800623801 18131938 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3CCCCC3 1 2.228 2 3 -9.10893640987115 18131937 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCCC3 1 1.036 2 3 0 -8.10274513858391 18129737 CCCCN(C)C(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O 1 3.249 1 4 -4.86760525849018 18129732 C1=CC=C(C(=C1)C(=O)NNC(=O)CCNC(=O)C2=CC=CC=C2Cl)O 1 1.602 3 4 0 -12.4890836434363 18129653 CC1=NC(=CC=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.258 3 2 -12.5297617420966 18129652 CC1=C(N=CC=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.461 3 2 -12.1784327850972 18129651 CC1=CN=C(C=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.461 3 2 -15.0995577545255 18129628 C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 1.779 4 4 0 -14.1674556057377 18129613 COC1=CC=CC=C1OCCNC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.626 2 4 -19.7193091077648 18129606 C1=CC=C(C(=C1)C(=O)NCCC(=O)NCC2=CC=NC=C2)Cl 1 1.443 3 2 0 -17.2694657773967 18129604 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 2.641 4 2 -18.5071533232713 18129566 CC(=O)NC1=CC=C(C=C1)C(=O)NCC2(CCCCC2)N3CCCCC3 1 2.928 3 2 -12.3636391312962 18129565 CC1CCN(CC1)C(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.385 2 2 -16.5534906758271 18128955 CCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3N2CC 1 2.629 3 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18109131 C1=CC=C(C(=C1)C(=O)NNC(=O)CCC(=O)C2=CC=CS2)O 1 1.538 2 4 0 -10.8623703549261 18109124 C1CN(CCC1C(=O)NNC(=O)C2=CC=CC=C2O)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.883 3 5 0 -12.5606302323663 18109116 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)NNC(=O)C3=CC=CC=C3O 1 3.043 2 5 0 6.73754290315 18109111 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NNC(=O)C3=CC=CC=C3O 1 3.459 2 4 9.39631062358217 18109106 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)C3=CC=CC=C3O 1 1.704 3 5 0 -14.3826289229532 18108765 CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3CCCO3)C 1 2.857 2 4 -13.1238012080511 18108764 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3CCCO3 1 2.37 2 4 -15.1466024192794 18108762 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3CCCO3 1 2.37 2 4 -15.0012849098213 18108760 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3CCCO3 1 1.868 2 5 0 -15.4142511189654 18108680 C1COC(=CO1)C(=O)NCCC2=CC=CC=C2 1 0.856 1 3 0 -8.51776906172077 18108602 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CCCCC2 1 2.239 2 4 -15.1657352291985 18108595 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCC3)F 1 2.884 2 3 -5.95651525986766 18108586 CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC3)C 1 3.165 2 3 -6.47921770772431 18108585 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC3 1 2.678 2 3 -8.50201891895265 18108584 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC3 1 2.525 2 4 -8.04201539162172 18108582 C1CCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 2.192 2 3 -7.0194801691429 18108581 C1CCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Br 1 2.941 2 3 -7.66344072753424 18108577 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC3 1 2.176 2 4 -8.44174588216376 18108555 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CCCC3 1 3.534 1 2 8.34159601815353 18108484 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CCCCC3 1 3.399 2 3 -24.5183611331663 18108478 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CCCCC3 1 1.699 3 4 0 -28.7355106175457 18108475 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCCC2=CCCCC2 1 1.454 3 4 0 -19.8609716629953 18108471 C1CCC(=CC1)CCNC(=O)CCNC(=O)C2=CC=C(C=C2)Cl 1 3.337 2 2 -16.5602214945582 18108431 CC1CN(CC(O1)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 2.181 2 4 -15.2854822794971 18108425 CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.379 2 4 -11.7912307603122 18108402 CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3C)C 1 3.146 2 4 -12.1194994627322 18108401 CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C 1 2.66 2 4 -14.1423006739605 18108400 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC(OC(C3)C)C 1 2.506 2 5 0 -13.6822971466296 18108399 CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3F 1 2.379 2 4 -14.0850419258497 18108386 CC1CN(CC(O1)C)C(=O)C2=CC=C(O2)C3=CC=CC=C3Cl 1 3.556 1 3 -4.28116151565396 18108379 CC1CN(CC(O1)C)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 2.207 2 4 -23.5130862285494 18108378 CC1CN(CC(O1)C)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 1.14 2 4 0 -14.6778192429947 18108375 CC1CN(CC(O1)C)C(=O)C2=CC3=CC=CC=C3C=C2OC 1 2.578 1 3 -11.7658567748938 18108373 CC1CN(CC(O1)C)C(=O)C2=CC=CC=C2OCC3=CC=CC=C3Cl 1 3.918 1 3 -12.2599479858941 18108356 CC1CN(CC(O1)C)C(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 1.743 2 3 0 -16.8333669129729 18108349 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC(OC(C2)C)C 1 1.03 2 5 0 -16.9729782998619 18108347 CC1CN(CC(O1)C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(O4)C 1 3.36 2 3 -10.49227761158 18108340 CC1CN(CC(O1)C)C(=O)CCNC(=O)C2=CC=C(C=C2)Cl 1 1.659 2 3 0 -15.3767071678714 18108187 CC1=CC(=C(O1)C)C(=O)N2CCC3=CC=CC=C3C2 1 2.296 1 2 -11.8330541037546 18108091 C1CCN(CC1)C(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.454 2 2 -14.2782938104826 18108081 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CCCCC3 1 3.99 1 2 7.98712750398545 18108027 CC1=CC=C(C=C1)C(=O)NCC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.946 2 4 0 -15.0841288967904 18107785 C1CN(CCC1C(=O)NCCC2=CNC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)F 1 3.327 3 2 -12.5202600866658 18107687 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)[N+](=O)[O-] 1 1.853 4 5 0 -12.6580100479305 18107686 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=NC=C3 1 1.965 3 3 0 -12.5335884915041 18107681 C1=CC(=CC=C1C(=O)NCC2=CC=NC=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.164 3 3 -8.78151068366984 18107656 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3 1 2.291 3 4 0 -10.6725770699872 18107630 C1=CC=C2C(=C1)C(=CN2)CC(=O)NCC3=CC=NC=C3 1 1.799 3 1 0 -10.8999028778849 18107615 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=NC=C2 1 0.814 3 4 0 -17.555981667155 18107561 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CC=N2 1 1.029 3 4 0 -19.2367308098268 18107541 CC(CCC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=CS2 1 2.789 2 2 -16.0373505714971 18107460 CC1=CC(=C(O1)C)C(=O)NCCC2=CC=C(C=C2)OC 1 2.321 1 3 -9.10206060241785 18107323 CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)Br 1 1.5 1 3 0 -13.7510036716592 18107291 CC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 1.962 3 4 0 -9.57005184742036 18107225 CC1=NC(=CC=C1)NC(=O)C2=C(N=CC=C2)SC 1 2.216 3 1 -9.03901397852632 18107224 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=N2)C)S(=O)(=O)N3CCCCC3 1 2.806 3 3 -17.2541129188439 18107213 CC1=NC(=CC=C1)NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 3.838 2 1 -1.12325228997832 18107212 CC1=NC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 2.984 3 3 -16.6315107098641 18107211 CC1=NC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 2.528 3 3 -16.277042195696 18107203 CC1=NC(=CC=C1)NC(=O)CCC(=O)C2=CC=CS2 1 2.194 2 2 -9.46030342099328 18107199 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=N3)C 1 3.465 3 3 -9.83000377026768 18107182 CC1=NC(=CC=C1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.343 3 4 0 -5.88375764438447 18107118 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC=N3 1 2.477 3 4 0 -18.627491799178 18107107 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=N3 1 3.183 3 3 -9.82050962822018 18107105 C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC=N4)OC1 1 1.44 3 5 0 -13.5277767839759 18107100 C1CN(CCC1C(=O)NC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 1.592 3 3 0 -12.1058066411562 18107099 C1CN(CCC1C(=O)NC2=CC=CC=N2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.378 3 5 0 -14.0296041249785 18107081 CC1=C(N=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 2.984 3 3 -9.15646974574906 18107080 CC1=C(N=CC=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 2.44 3 2 -8.70488283730623 18107077 CC1=C(N=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.165 3 4 0 -10.132127696604 18107076 CC1=C(N=CC=C1)NC(=O)CNC(=O)C2CCCCC2 1 2.011 3 2 -7.818440105325 18107073 CC1=C(N=CC=C1)NC(=O)CCC(=O)C2=C(SC(=C2)C)C 1 2.397 2 2 -4.67299294545247 18107043 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=C(C=CC=N2)C)OCC 1 2.213 3 4 0 -16.1511758192799 18107006 CC1=C(N=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 2.731 3 3 -16.8391180448796 18107007 CC1=C(N=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 3.188 3 3 -17.1935865590477 18107042 CC1=C(N=CC=C1)NC(=O)CNC(=O)C2=CC=CS2 1 1.502 3 2 0 -11.3900694285592 18107041 CCOC1=CC=CC=C1C(=O)NCC(=O)NC2=C(C=CC=N2)C 1 1.881 3 3 0 -12.6874929828826 18107039 CC1=C(N=CC=C1)NC(=O)CNC(=O)C2=CC=C(S2)C 1 1.648 3 2 0 -9.96865963784363 18107028 CC1=C(N=CC=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.782 3 2 -11.9775605564408 18107025 CC1=C(N=CC=C1)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 3.009 3 3 -17.9634271335967 18106997 CC1=C(N=CC=C1)NC(=O)CCC(=O)C2=CC=CS2 1 2.398 2 2 -9.10897446399386 18106993 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=CC=N2)C 1 1.944 3 3 0 -8.74065097922801 18106983 CC1=C(N=CC=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 2.545 3 2 -10.9464274734817 18106977 CC1=C(N=CC=C1)NC(=O)CSC2=CC3=C(C=C2)OCCO3 1 2.668 2 3 -7.49752339882728 18106974 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=CC=N2)C 1 1.832 3 4 0 -11.0860388603708 18106966 CC1=C(N=CC=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Cl 1 2.461 3 2 -9.48976772838028 18106959 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 2.984 3 3 -8.20294392185437 18106957 CC1=CC(=NC=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 2.44 3 2 -8.62231814189773 18106954 CC1=CC(=NC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.165 3 4 0 -9.03876396848767 18106949 CC1=CC(=NC=C1)NC(=O)CCC(=O)C2=C(SC(=C2)C)C 1 2.397 2 2 -4.73026615426561 18106926 CC1=CC(=NC=C1)NC(=O)CNC(=O)C2=CC=CC=C2Br 1 2.297 3 2 -9.68731777253383 18106922 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=NC=CC(=C2)C)OCC 1 2.213 3 4 0 -16.208449028093 18106919 CC1=CC(=NC=C1)NC(=O)CNC(=O)C2=CC=C(S2)C 1 1.648 3 2 0 -9.88609494243513 18106918 CC1=CC=C(C=C1)C(=O)NCC(=O)NC2=NC=CC(=C2)C 1 2.035 3 2 -10.3009500464647 18106906 CC1=CC(=NC=C1)NC(=O)C2=C(N=CC=C2)SC 1 2.419 3 1 -8.3885727053716 18106904 CC1=CC(=NC=C1)NC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 2.461 3 3 0.988960616965522 18106902 CC1=CC(=NC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.523 3 3 -17.2526402835872 18106895 CC1=CC(=NC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 2.731 3 3 -15.9829864475097 18106893 CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC2=NC=CC(=C2)C 1 2.777 2 3 -5.78447856949374 18106888 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=NC=CC(=C2)C 1 1.944 3 3 0 -8.93440829315687 18106874 CC1=CC(=NC=C1)NC(=O)CSC2=CC3=C(C=C2)OCCO3 1 2.668 2 3 -7.55479660764042 18106872 CC1=CC(=NC=C1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.546 3 4 0 -5.58970189619819 18106863 CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3=NC=CC(=C3)C 1 2.321 3 2 -11.6069377977074 18106857 CC1=CN=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 2.984 3 3 -11.1641899089943 18106853 CC1=CN=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.165 3 4 0 -12.1398478598492 18106852 CC1=CN=C(C=C1)NC(=O)CNC(=O)C2CCCCC2 1 2.011 3 2 -10.8369593012781 18106826 CC1=CN=C(C=C1)NC(=O)CNC(=O)C2=CC=C(S2)C 1 1.648 3 2 0 -12.9871788337967 18106779 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=NC=C(C=C2)C 1 1.944 3 3 0 -12.2172882730572 18106782 CC1=CN=C(C=C1)NC(=O)CCC(=O)C2=CC=CS2 1 2.398 2 2 -12.0300994334222 18106785 CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC2=NC=C(C=C2)C 1 2.777 2 3 -8.88556246085532 18106789 CC1=CN=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 3.188 3 3 -19.2987009488177 18106791 CCOC1=C(C=CC=N1)C(=O)NC2=NC=C(C=C2)C 1 2.21 3 2 -10.3816958815035 18106807 CC1=CN=C(C=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.782 3 2 -14.9960797523938 18106804 CC1=CN=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 3.009 3 3 -19.9213031577976 18106799 CC1=CN=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.067 3 3 -19.9992556607807 18106775 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=NC=C(C=C3)C 1 3.669 3 3 -12.9553121070974 18106763 CC1=CN=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 2.545 3 2 -13.9649466694348 18106758 CC1=CN=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.546 3 4 0 -8.55094788333813 18106749 CC1=CN=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)C 1 3.57 2 2 1.09619376037217 18106738 C1=CC=C2C(=C1)N=CC(=O)N2CC(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 1.518 4 3 0 -7.89374288255243 18106534 C1CN(CC=C1C2=CC=CC=C2)C(=O)CNC(=O)C3=CC=CC=C3Br 1 3.138 2 2 -11.9427134502628 18106533 COC1=CC(=CC(=C1)C(=O)NCC(=O)N2CCC(=CC2)C3=CC=CC=C3)OC 1 2.357 2 4 -14.7062745766256 18106531 C1CN(CC=C1C2=CC=CC=C2)C(=O)CNC(=O)C3=CC=CO3 1 1.785 2 3 0 -11.8374707751055 18106529 CCOC1=CC=CC=C1C(=O)NCC(=O)N2CCC(=CC2)C3=CC=CC=C3 1 2.722 2 3 -14.7629297386783 18106522 C1CN(CC=C1C2=CC=CC=C2)C(=O)C3=CC(=O)NC4=CC=CC=C43 1 2.712 2 2 -12.0224075374491 18106496 CC1=CC=C(O1)C(=O)N2CCC(=CC2)C3=CC=CC=C3 1 2.87 1 2 -4.84711159066336 18106490 CC1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 3.642 2 3 -13.8073964173883 18106469 CC1CCC(CC1)NC(=O)CNC(=O)C2=CC=C(S2)C 1 2.306 2 2 -14.9485946619609 18106414 CNC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCC3 1 1.2 4 3 0 -16.3157502472458 18106281 C1CN(CCN1C(=O)C2=C(C=CC(=C2)Cl)O)S(=O)(=O)C3=CC=CS3 1 2.037 2 4 -10.7460004905596 18106216 C1CN(CCN1C2=CC=CC=C2F)C(=O)CNC(=O)C3=CC=C(O3)Br 1 2.101 3 3 -7.88983219886422 18106082 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CNC(=O)C3=CC=C(O3)Br 1 2.56 3 3 -4.06044839584313 18106080 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C 1 3.521 3 3 -3.01755280036954 18105997 CC(C)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.604 2 5 0 -22.1459284258757 18105839 CCOC1=CC=C(C=C1)C(=O)CCC(=O)NN2C(=O)C3(CCCCC3)NC2=O 1 2.094 3 5 0 -7.95346031206753 18105777 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.56 2 4 -17.8605428819683 18105773 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)C 1 2.899 2 3 -18.1733044078072 18105751 C1COC(=CO1)C(=O)NCCN2C(=O)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/SC2=O 1 2.247 2 5 0 -6.21639496892885 18105745 C1COC(=CO1)C(=O)NCCN2C(=O)/C(=C/C3=CC=C(C=C3)OC(F)F)/SC2=O 1 1.724 2 6 0 -8.90604178724695 18105480 CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)SC3=CC=CC=C3 1 2.705 2 3 -20.7958031231533 18105472 C1CN(CCN1C(=O)C2=CNC(=O)C=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 0.543 3 4 0 -20.5863583405458 18105462 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CNC(=O)C=C2)OCC 1 1.413 2 4 0 -15.9199534741375 18105425 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCCN3CCCC3=O 1 2.214 3 4 0 -23.0375053046724 18105420 C1CC(=O)N(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 0.343 3 4 0 -34.452084441335 18105419 C1CC(=O)N(C1)CCCNC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 0.81 3 3 0 -29.101955181086 18105376 C1COCCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl 1 2.748 2 4 -8.37070891011312 18105349 CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCOCC3)C 1 1.166 3 3 0 -16.6169995367563 18105323 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC(C3)C 1 3.3 2 4 -9.31196579016968 18105321 CC1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C 1 3.454 2 3 -9.29873007156758 18105320 CC1CCCN(C1)C(=O)CNC(=O)C2=CC=CS2 1 1.493 2 2 0 -13.7602472799893 18105311 CC1CCCN(C1)C(=O)C2=CC=C(O2)C3=CC=CC=C3Cl 1 4.349 1 2 8.91698408059309e-002 18105308 CC1CCCN(C1)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 1 3.503 4 1 8.69957441394625e-002 18105306 CC1CCCN(C1)C(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.774 2 2 -15.0617133623609 18105291 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCC(C2)C 1 1.823 2 4 0 -13.6528009255994 18104837 CCCNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O 1 2.587 1 4 -8.04862866167147 18104769 CCC(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.504 3 3 -7.39919459068295 18104764 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.675 3 3 8.48663942312571 18104672 COC1=CC(=C(C=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)OC 1 2.532 2 4 -14.0369231812453 18104644 COC1=CC=CC=C1CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3 1 2.115 2 4 -19.3621405456769 18104569 COC1=CC=CC(=C1)CNC(=O)CCCC2=CNC3=CC=CC=C32 1 3.845 2 2 -14.6085991276484 18104562 COC1=CC=CC(=C1)CNC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.662 2 5 0 -14.2219392710383 18104543 CSC1=CC=CC(=C1)NC(=O)CNC(=O)C2CCCCC2 1 2.678 2 2 -6.4793222958483 18104538 CSC1=CC=CC(=C1)NC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3 1 1.984 2 4 0 -11.0168548915118 18104531 COC1=CC=C(C=C1)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCCC3 1 1.561 3 4 0 -13.1171960970194 18104447 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CNC(=O)C2=CC=CS2 1 1.379 3 3 0 -16.6139303495063 18104437 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC3=C(S2)CCCCC3 1 4.159 2 2 -9.80457961630971 18104350 CC1=CC(=CC=C1)NC(=O)CSCC(=O)NNC(=O)C2=C(OC=C2)C 1 1.06 3 4 0 -9.85086006241548 18104199 C1CN(CCC1C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.989 2 5 0 -14.5318617627199 18104154 CC1=NN(C(=C1)NC(=O)COC(=O)C2=NC=CN=C2N)C3=CC=CC=C3 1 0.875 6 3 0 -14.5637702151985 18102661 CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=CC=C2C(=O)N(C)C3=CC=CC=C3 1 4.282 2 4 -15.0429911714665 18101887 CC1=C(C(=CC=C1)NC(=O)NC2=CN=CC=C2)C 1 2.344 3 1 -2.99110120779871 18100354 CCN(C1CCS(=O)(=O)C1)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C 1 -7.6e-002 4 5 0 -19.9981869230533 18098288 CC1=CC(=C(O1)C)C(=O)N(C)CC(=O)NC2=CC(=CC=C2)OC 1 1.258 2 4 0 -11.2869419266776 18097549 COC1=CC=CC=C1C(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O 1 2.497 2 4 -6.82483416457172 18096720 CC1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.432 2 3 -19.7968802993291 18096710 C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)F 1 2.111 2 3 -11.5520058089631 18092984 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 3.955 2 3 -0.55039465249531 18092952 C1CN(CCN1C(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CS4 1 3.484 2 4 -10.0415263925052 18091548 CC(C(=O)NCC1CCCO1)SC2=NNC(=O)N2CC3=CC=CC=C3 1 2.103 4 3 0 -18.6916202748821 18085142 CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)N3CCOCC3 1 3.295 3 3 -15.3725453716205 18084908 CCN(CC1=CC=CC=C1)CC(=O)NC(=O)NC2=CC=CC=C2F 1 2.874 3 2 -3.39519623464703 18084898 CCN(CC1=CC=CC=C1)CC(=O)NC(=O)NCC2=CC=CC=C2 1 2.675 3 2 -6.26902670979535 18084506 CC(C(=O)NC1=C(C=CC(=C1)Cl)N2C=NC=N2)OC3=CC=C(C=C3)F 1 3.346 4 2 -9.95028558197297 18084502 CCCOC1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3 1 3.513 4 3 0 -10.4017203125732 18084497 C1=CC=C(C(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)OC(F)F 1 3.627 4 2 -7.5126566413669 18084494 CC1=C(C(=CC=C1)C)OCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3 1 3.629 4 2 -10.6125424071361 18084486 CC1=CC=C(C=C1)OCCCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3 1 3.712 4 2 -10.4601400410203 18084485 COC1=CC=C(C=C1)OCCCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3 1 3.209 4 3 0 -11.018382821364 18084481 CC(C(=O)NC1=C(C=CC(=C1)Cl)N2C=NC=N2)OC3=CC=CC=C3 1 3.141 4 2 -11.150396619407 18084470 C1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(O2)Br)N3C=NC=N3 1 2.784 4 2 -8.20907865874376 18084463 COC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3 1 2.805 4 2 -9.56802742902563 18084173 CC(C(=O)NC1=NN=C(S1)C2CC2)OC3=CC=C(C=C3)Br 1 3.175 3 2 -9.04767314754069 18084204 CCCCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3 1 2.869 3 4 0 -23.411745720501 18084103 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CC2=CC3=C(C=C2)OCCO3)N 1 2.01 4 5 0 -12.7636958705721 18084102 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=NC3=CC=CC=C32)C)N 1 2.659 5 3 0 -9.45901829883756 18084101 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCC2CCCCC2)N 1 3.353 4 3 0 -13.0161710891639 18084095 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=CS2)N 1 2.143 4 3 0 -11.8649160035616 18084090 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CC2CCCC2)N 1 2.441 4 3 0 -11.8792351628906 18084084 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=CO2)N 1 1.585 4 4 0 -10.3214288771638 18084048 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(C)OC3=CC=C(C=C3)F 1 3.655 1 4 -12.0834682133171 18084040 CS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3 1 4.258 1 3 -13.7694596888433 18083948 CCCCCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.985 2 5 0 -25.4996609723515 18083883 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(O2)C)N 1 0.408 4 5 0 -8.12769118216961 18083876 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)N 1 2.385 4 4 0 -6.2657344946473 18083867 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=CO2)N 1 0.262 4 5 0 -9.74090718291499 18083820 CC(C(=O)NC1=NC(=CS1)C2=CC=CC=N2)OC3=CC=C(C=C3)Br 1 3.904 3 2 0.618415558408258 18083788 CN(CCOC1=CC=C(C=C1)Cl)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C 1 3.189 2 4 -12.1402956730215 18083772 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC=C(O2)C)N 1 2.119 4 4 0 -9.91589603734915 18083771 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=COCCO2)N 1 0.492 4 5 0 -12.8685626731224 18083658 CCCCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCC3 1 2.413 3 4 0 -23.4263738050698 18083640 C1CCC(CC1)(CNS(=O)(=O)C2=CC=C(C=C2)F)N3CCOCC3 1 2.487 2 3 -5.79085874091306 18083639 CCCN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=C(C=C2)F 1 1.532 1 4 0 -14.0738292412719 18083498 CCOC(=O)N1CCN(CC1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3 1 0.731 4 6 0 -8.89810968055871 18083480 CC(=O)N1CCN(CC1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3 1 -0.261 4 5 0 -9.70977155552649 18083174 CC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.633 2 3 -12.4543527599832 18083173 CC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 1.887 2 4 0 -16.1690352907799 18083163 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)COC2=C(C=C(C=C2)C)C 1 3.708 2 3 -13.224069915609 18083146 CCN1C(=NN=C1SC(C)C(=O)NC2CC2)CC3=CC=CC=C3 1 2.825 4 1 -15.5316969719482 18082593 C1COC(=CO1)C(=O)NC2=C(C=CC(=C2)Cl)F 1 1.398 1 3 0 -2.92735818429677 18082086 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 1.765 4 4 0 -10.0220418541861 18081532 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCC3=CC(=CC=C3)OC 1 1.196 4 3 0 -15.0538294505139 18081352 CCOC(=O)C1=C(N=C(S1)NC(=O)CSCC2=C(ON=C2C)C)C 1 1.672 3 4 0 -23.2892457123915 18081336 CC1=C(C(=NO1)C)CSCC(=O)NC2=NN=C(S2)C 1 0.632 4 2 0 -23.4023949078987 18081333 CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3 1 2.411 3 3 -15.8053694452296 18081299 CC1=CSC(=N1)NC(=O)CSCC2=C(ON=C2C)C 1 1.177 3 2 0 -17.62892557693 18081043 CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 1.898 5 3 0 -21.9058732131135 18081004 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)F 1 1.885 4 4 0 -10.6403850725469 18080981 CC1=CC=CC(=C1C)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=C(C(=CC=C2)C)C 1 3.253 2 6 0 -11.2960483330875 18080980 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=C(C=CC=C2OC)OC 1 1.301 2 7 0 -18.7042686937483 18080973 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC=CC=C2OC 1 1.317 2 6 0 -18.7173429852185 18080855 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=NC3=C(N2)C=C(C=C3)OC 1 2.52 4 3 0 -10.9051663778091 18080838 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 1.822 4 4 0 -10.6998770277295 18080809 CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)OC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 2.309 5 3 0 -22.0173189647979 18080804 CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 2.312 4 3 0 -18.6441766801577 18080756 CC1=C(C(=CC=C1)NC(=O)CNC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O)C 1 2.383 4 4 0 -10.6620472866434 18080722 CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 2.357 5 3 0 -20.4324860202743 18080536 CC1=C(NC2=C1C=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC=CC=C3)C 1 3.738 2 3 -8.16226584308601 18080517 CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=CC=CC=C3Cl 1 3.765 1 3 -11.7267475994565 18080463 CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 1.898 5 3 0 -19.2614562858239 18080237 CC(C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 2.562 5 3 0 -21.0989758556176 18080033 COC1=CC(=CC(=C1)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3)OC 1 2.181 2 4 -11.1776451754431 18080032 COC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)N4CCCCCC4=NS3(=O)=O)OC 1 2.657 3 5 0 -13.4410599197248 18080006 CC(C)(C(=O)NCC(C1=CC=CO1)N2CCCCC2)OC3=CC=C(C=C3)Cl 1 4.29 2 3 -10.0454127099005 18079957 CC(C1=CC=C(C=C1)F)NC(=O)CCNC(=O)C2=CC=CO2 1 1.907 2 3 0 -16.4093742016879 18079882 CC1=C(C=C2C(=C1)C(=CO2)CC(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC)C 1 3.174 2 4 -7.57339177928628 18079878 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CSC2=CC=C(C=C2)Br 1 3.005 2 3 -10.5816954611154 18079820 C1CN(CCN1C(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC=CC(=C3)F 1 0.883 3 3 0 -17.0204856288491 18079812 CC1=C(N=C(S1)NC(=O)C2=COCCO2)C3=CC=C(C=C3)Br 1 2.366 2 3 -5.26046300236951 18079771 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)C2=CC=NC=C2 1 0.935 3 2 0 -8.24548412200488 18079687 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)CC2=COC3=CC(=C(C=C32)C)C 1 4.163 2 3 -9.41444011796185 18079683 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3OC(F)F 1 2.698 2 3 -9.28843693990484 18079669 CC1=C(C=C2C(=C1)C(=CO2)CC(=O)NNC(=O)C3=CC=CC=C3)C 1 3.182 2 3 -8.74112505212121 18079666 CSC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 2.435 2 2 -6.09671145157587 18079230 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)COC2=CC(=CC=C2)Cl 1 3.4 2 3 -14.3757574817102 18079194 C1CCC(CC1)(C#N)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O 1 2.078 2 4 -8.90651190880071 18079153 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2(CCCCC2)C#N)C3=CC=CC=C3 1 2.318 4 3 0 -9.81682037276698 18079108 CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC(C)C(=O)NCC3CCCO3 1 3.995 3 3 -18.0376682434762 18079100 CC(C(=O)NCC1CCCO1)SC2=NN=C(N2C)C3=CC=CC=C3OC 1 2.294 4 3 0 -15.7414753906575 18079028 CC1=C(C=CC(=C1)C(=O)OC(C)C(=O)N2CCC3=CC=CC=C32)[N+](=O)[O-] 1 3.467 2 5 0 -18.0587132463945 18078643 CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)N(C)CCOC2=CC=CC=C2 1 3.689 2 2 -5.09800699745441 18078175 CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC=NN2 1 1.846 5 1 0 -8.65430995843765 18078219 CN(C1CCCCC1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)OC 1 3.536 3 2 -7.95341427192185 18078014 CC(C(=O)NCC1CCCO1)SC2=NN=CN2C3=CC=CC=C3OC 1 1.946 4 3 0 -18.9715930752996 18078013 CC1=CSC(=N1)SC(C)C(=O)NCC2CCCO2 1 1.554 2 2 0 -16.8864940828626 18078011 CC1=NN=C(S1)SC(C)C(=O)NCC2CCCO2 1 1.009 3 2 0 -19.2588209952351 18077994 CC(C(=O)NCC1CCCO1)SC2=NN(C(=S)S2)C3=CC=CC=C3 1 4.838 3 2 -15.089134231391 18077910 C1=COC(=C1)C(=O)NCCC(=O)NCCN2C(=O)/C(=C/C3=CC=C(C=C3)F)/SC2=O 1 1.913 3 5 0 -17.1936847357275 18077908 C1=COC(=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)OC(F)F 1 2.123 2 4 -9.90094705939061 18077897 COC1=CC(=CC(=C1)NC(=O)C2CC(=O)N(C2)CC3=CC=CO3)OC 1 1.042 2 5 0 -12.1226816176757 18077895 COC1=CC=C(C=C1)CCNC(=O)CCNC(=O)C2=CC=CO2 1 1.629 2 4 0 -15.124496515626 18077888 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3OC(F)F 1 2.998 2 4 -17.0392129425313 18077849 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.524 3 4 0 -15.8885693185464 18077842 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CCCOC2=CC=CC(=C2)C 1 2.24 3 4 0 -17.8323045241608 18077840 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2COC3=CC=CC=C3O2 1 1.122 3 5 0 -11.7920226175503 18077833 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)COC2=CC3=CC=CC=C3C=C2 1 2.093 3 4 0 -12.9723794858362 18077823 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 2.909 3 4 0 -12.6368587794606 18077822 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=CC3=CC=CC=C3C=C2 1 2.258 3 3 -11.4995126108861 18077818 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)/C=C/C2=CC=CC=C2 1 1.817 3 3 0 -12.0368684556081 18077817 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)/C=C/C2=CC=CO2 1 1.212 3 4 0 -12.5295193539859 18077811 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CC2=CC=CC3=CC=CC=C32 1 2.292 3 3 -13.4583628614391 18077795 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=COCCO2)N 1 -0.74 4 5 0 -11.7027133136757 18077761 CCCCCC1=NN=C(S1)NC(=O)C2=COCCO2 1 1.298 3 3 0 -13.3705040145666 18077750 COC1=CC=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=COCCO3 1 3.014 1 5 -2.59901321612355 18077747 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=COCCO3 1 0.495 4 5 0 -10.7607114466277 18077737 C=CCSC1=NN=C(S1)NC(=O)C2=COCCO2 1 0.702 3 3 0 -17.7716436734846 18077731 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=COCCO3 1 0.592 3 4 0 -4.54315178809124 18077698 CC1=CC(=C(C(=C1)C)NC(=O)C2=COCCO2)C 1 1.987 1 3 0 -5.62872053877304 18077469 C1=CSC(=C1)C(=O)NNC(=O)COC(=O)C2=C(C=C(C=C2)O)O 1 1.048 2 6 0 -10.0644068369608 18077442 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC=CC=C2CC3=CC=CC=C3 1 2.227 1 5 -17.7834153641734 18077411 C1CC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=C(C=C(C=C3)O)O 1 2.43 2 5 0 -18.0745212749205 18077370 CC1=CC=CC(=C1O)C(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.406 3 5 0 -3.62686271605463 18077361 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 1.883 4 5 0 -11.3114309583179 18077233 C1=CC(=CC=C1C2=NN=CO2)OC(=O)C3=CC=C(O3)Br 1 2.524 2 4 -4.11431317515755 18077226 C1=COC(=C1)C(=O)OC2=CC=C(C=C2)C3=NN=CO3 1 1.956 2 4 0 -2.84029012798118 18076572 CC(C(=O)N(C)C1=CC=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-] 1 2.612 3 6 0 -19.5191276963278 18076552 COC1=CC(=C(C=C1)C(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O)OC 1 2.481 2 5 0 -4.92903742793243 18076548 COC1=CC(=C(C=C1)C(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O)OC 1 2.937 2 5 0 -4.02588909676129 18076538 CC(C(=O)N)SC1=NC=NC2=C1C=C(S2)C3=CC=CC=C3 1 3.34 3 1 -4.15212288253063 18076324 CCN(CC(=C)C)C(=O)CN1C(=O)C2(CCCC3=CC=CC=C32)NC1=O 1 2.392 3 3 -12.8029326698242 18076230 CCC1=CC=CC=C1NC(=O)CCC(=O)C2=CC=CS2 1 3.465 1 2 -11.9926381772758 18076021 CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 3.445 4 3 0 -12.0247472972874 18075999 CC1=CC=CC(=C1O)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.628 2 6 0 -20.4701207071666 18075998 CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.394 2 4 -15.7938207755049 18075960 CC1=NC=C(N=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 2.734 3 3 -9.71855909654479 18075955 CC1=NC=C(N=C1)C(=O)OC(C)C(=O)NCC2=CC=CC=C2 1 1.222 3 3 0 -16.6462615723124 18075675 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)NC3CCCCC3 1 2.343 3 5 0 -17.439388070711 18075474 C=CCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.37 4 2 -26.8337229970528 18075411 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)/C=C/C3=CC=C(C=C3)OC(F)F 1 2.692 2 5 0 -17.1554209537912 18075401 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3Cl 1 3.677 2 5 0 -4.55773834575148 18075388 CC1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 3.499 2 5 0 -4.88549641207327 18075056 CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C 1 3.573 3 3 -19.1299123243232 18074960 CC1=NC=C(N=C1)C(=O)OC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43 1 3.363 3 3 -12.1523659094511 18074943 CC1CCCN(C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)C 1 3.268 1 4 -4.13456037493338 18074868 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)C3=CC=C(S3)Cl 1 2.961 2 3 -2.87132440277785 18074737 C1=CC=C(C=C1)CC2C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)OC(F)F 1 2.527 3 4 0 -5.81608168848789 18074730 CC1=C(C(=NN1CCOC2=CC(=CC=C2)Cl)C)[N+](=O)[O-] 1 3.098 3 3 -0.42527273216246 18074426 CC1=NC=C(N=C1)C(=O)NCCC2=CC=C(C=C2)Cl 1 2.017 3 1 -10.474015641536 18074157 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.329 4 5 0 -13.2167846748454 18074145 C1CC2=CC=CC=C2C3(C1)C(=O)N(C(=O)N3)CC(=O)C4=CC=C(C=C4)Br 1 3.718 2 3 -3.15595994078242 18074104 CC(COC)NC(=O)CSC1=NC=NC2=C1C=C(S2)C3=CC=CC=C3 1 3.309 3 2 -16.7171812680837 18073918 CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N3CC(OC(C3)C)C 1 3.015 2 4 -13.580144888136 18073916 CC1CN(CC(O1)C)C(=O)COC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C 1 2.56 2 4 -16.3135025201143 18073832 CCN(C1=CC=CC2=CC=CC=C21)C(=O)CSC3=NC=CN3C 1 3.106 3 1 -11.0520220120684 18073825 C1CCCC(CCC1)NC(=O)CSC2=NN=C(S2)N 1 2.471 4 1 -16.4903710180138 16462824 C1CCC2=C(C1)C=CC(=C2)C3=C(SC(=N3)N)CC(=O)O 1 3.496 2 2 1.54124532981693 16462823 C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C(SC(=N3)N)CC(=O)O 1 3.543 2 3 6.16959176486992 16462301 CCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC4=C(C=C3)OCCO4 1 2.747 1 6 0 -9.85514597153704 16462286 CC(C)C1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC4=C(C=C3)OCCO4 1 3.066 1 6 0 -7.8091649911208 16462264 CCCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC4=C(C=C3)OCCO4 1 3.203 1 6 0 -10.1002976150205 16460826 C/C(=C\1/C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)/NC4=CC=C(C=C4)OC 1 3.534 4 4 0 -8.39975796787189 16460281 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4 1 6.29 4 1 -4.03896880706967 16457974 CC1C2=CC3=C(C=C2CCN1CC(=O)NC4=CC(=CC(=C4)C)C)OCCCO3 1 3.812 2 3 -13.7328739218824 16457973 CC1C2=CC3=C(C=C2CCN1CC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCC5)OCCCO3 1 2.418 3 5 0 -27.2544834513238 16457972 CC1C2=CC3=C(C=C2CCN1CC(=O)NC4=CC=C(C=C4)C)OCCCO3 1 3.326 2 3 -13.1288381018126 16457963 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4 1 2.559 4 5 0 -14.2991489230517 16457960 C1CC(=O)N(N=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4 1 0.893 4 5 0 -27.0828330000454 16457956 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)NC(=O)C(=O)N3 1 -9.3e-002 5 6 0 -24.971806288639 16457953 CC1C2=CC(=C(C=C2CCN1C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4)OC)OC 1 3.945 2 5 0 -29.0956177869867 16457952 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3 1 1.16 5 5 0 -26.1566255362849 16457935 C=CCN1C2=C(C=C(C=C2)C(F)(F)F)N=C(C1=O)CCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.448 4 3 0 -14.7824278209349 16457900 CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4 1 2.284 5 4 0 -27.592903158902 16457890 C1=CC(=CC(=C1)NS(=O)(=O)C2=C(C=CC(=C2)Br)Br)N3C=NN=N3 1 2.701 5 2 0 -12.8001511909092 16457794 CC1C2=CC(=C(C=C2CCN1C(=O)C3=CC(=NC(=C3)Cl)Cl)OC)OC 1 3.843 2 3 -18.637880527845 16457495 CCCCC1=C(N=C2N=C(NN2C1=O)SCC3=CC=C(C=C3)Cl)C 1 4.426 4 1 -8.87898025260241 16457493 CC(C)C1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=C(C=C3)Cl 1 3.454 4 1 -4.5369426131792 16457491 CCCC1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=C(C=C3)Cl 1 3.591 4 1 -5.96293447463801 16457489 CCC1=C(N=C2N=C(NN2C1=O)SCC3=CC=CC=C3Cl)C 1 3.514 4 1 -11.424064793577 16457487 CC(C)C1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=CC=C3Cl 1 3.454 4 1 -8.00692097834176 16457486 CC1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=CC=C3Cl 1 2.611 4 1 -9.53134989031054 16457478 CCC1=C(N=C2N=C(NN2C1=O)SCC3=CC=CC=C3)C 1 2.849 4 1 -10.5909000237808 16457477 CC1=C(N=C2N=C(NN2C1=O)SCC3=CC=CC=C3)C 1 2.393 4 1 -8.91812336420438 16457475 CC(C)C1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=CC=C3 1 2.79 4 1 -7.17375620854561 16457424 CC1=C(C(=O)N2C(=N1)N=C(N2)SCC3=CC=CC=C3)CCC(C)C 1 4.013 4 1 -12.0359474226861 16457308 CCCCCCC1=C(NC2=NC3=CC=CC=C3N2C1=O)C 1 4.289 3 1 -11.7517462485783 16457257 CC1=CC=CC=C1C2=NC3=C4C=CC=CC4=NC(=S)N3N2 1 3.737 4 0 -2.51444606250496 16456966 CC1=CC2=C(C=C1)N(C(=O)C23OCCCO3)CC#N 1 1.004 2 3 0 -8.23419919998486 16456964 C1=CC2=C(C=C1Cl)N(C(=O)O2)CC(=O)NC3=NOC=C3 1 1.84 3 4 0 -3.25487504013388 16456960 C1CCC(CC1)NC(=O)CN2C3=C(C=CC(=C3)Cl)OC2=O 1 3.128 2 3 -4.77295060148866 16456797 CC(CNC1=NC2=C(C=NN2C)C(=N1)NCC3=CC=CC=C3)O 1 1.254 6 1 0 -2.88121407741639 16456746 CC1=C(C=C(C=C1)NC2=NC(=NC3=C2C=NN3C)NCCO)Cl 1 2.02 6 1 0 2.36062442417367 16456745 CCCNC1=NC2=C(C=NN2C)C(=N1)NC3=CC(=C(C=C3)C)Cl 1 3.432 6 0 1.00388663147576 16456744 CCNC1=NC2=C(C=NN2C)C(=N1)NC3=CC(=C(C=C3)C)Cl 1 2.908 6 0 -0.388185592083496 16456743 CC1=C(C=C(C=C1)NC2=NC(=NC3=C2C=NN3C)NC)Cl 1 2.559 6 0 -1.04109754737176 16456234 COC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCOCC4 1 2.764 4 3 0 -10.5649800441674 16456034 CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=C(N(N(C2=O)C3=CC=CC=C3)C)C.[Na+] Na+ 1 2 3 3 0 -9.3841704211084 16455564 COC(=O)C1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)Cl)/O)/C(=O)C(=O)N2C4CCS(=O)(=O)C4 1 2.403 1 7 0 -12.5701064491015 16455092 C1=CC(=CC=C1NC(=O)C2=NN(C=CC2=O)C3=CC=C(C=C3)F)S(=O)(=O)NC4=NC=CS4 1 2.293 5 4 0 -9.26527772115436 16455091 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=CC3=O)C4=CC=C(C=C4)F 1 2.643 5 5 0 -9.24175119127698 16454987 CCOC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 2.419 5 5 0 -11.1563441074718 16454820 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=CC3=O)C4=CC=C(C=C4)F 1 1.612 4 5 0 -19.5046685341127 16454552 C1CN(CCN1CCC2=CC=CC=N2)C(=O)C3=C(C4=CC=CC=C4S3)Cl 1 3.915 3 1 -0.14994544461766 16454245 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)N3CCN(CC3)CCC4=CC=CC=N4)C)C 1 4.151 3 2 3.79903798448698 16454244 CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CCN(CC3)CCC4=CC=CC=N4 1 3.384 3 2 8.15831436240579 16454243 C1CN(CCN1CCC2=CC=CC=N2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl 1 4.579 3 1 0.975400438445148 16453923 C1CN(CCN1CCC2=CC=NC=C2)C(=O)C3=CC=C(O3)Br 1 1.918 3 2 0 -1.88570644349424 16453920 C1CS(=O)(=O)CC1N2C(/C(=C(\C3=CC=C(C=C3)Cl)/O)/C(=O)C2=O)C4=CC(=CC=C4)O 1 2.306 1 6 0 -9.46741986520427 16453817 CC1=CC(=C2C(=C1)OC(=CC2=O)C(=O)NCC3=CC=CC=C3)C 1 3.382 1 3 -10.9348120299005 16453814 CC1=CC(=C2C(=C1)OC(=CC2=O)C(=O)NCC3=CC=C(C=C3)OC)C 1 3.365 1 4 -10.5329633342651 16453548 COC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 2.071 5 5 0 -10.3901209557637 16453495 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC4=CC=CC=C4F 1 3.539 3 5 0 -14.1716891264242 16453401 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(N=NS3)C 1 2.087 4 3 0 -25.127800815617 16453299 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(N=NS3)C)C 1 1.528 6 3 0 -17.790517403407 16453294 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(N=NS3)C 1 2.019 4 3 0 -27.5135585061718 16453292 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(N=NS3)C 1 2.145 4 3 0 -22.7254115207327 16453291 CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(N=NS3)C 1 2.669 4 3 0 -20.8743299974525 16453287 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(N=NS3)C 1 1.246 6 3 0 -19.5235120117449 16453204 CC1=CC=C(C=C1)C(=O)NCC(C2=CC=CO2)N3CCOCC3 1 2.251 2 3 -14.0252657386282 16453202 CCOC1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3 1 3.891 3 4 0 -17.2464087273079 16453200 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3 1 2.679 4 4 0 -16.0332577653909 16453157 C1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 2.087 5 4 0 -10.2384579417618 16453090 CCC1=CC=C(C=C1)OCC(=O)NCC(C2=CC=C(C=C2)Cl)N3CCCCC3 1 5.148 2 2 -13.2079465549911 16453067 CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 2.573 5 4 0 -9.97715474661961 16453056 COC1=CC(=CC(=C1OC)OC)CN(CC2CCCO2)C(=O)C3=CC=CS3 1 3.09 1 5 -19.4753796941565 16453055 COC1=CC(=CC(=C1OC)OC)CN(CC2CCCO2)C(=O)C3=CC=CO3 1 2.532 1 6 0 -16.7492662702472 16453037 CC1=CC(=C(C=C1)C)NC(=O)C2=C/C(=C/3\C(=CC(=CC3=O)C)C)/NN2 1 2.48 3 2 -7.60384104056324 16453035 CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.893 4 5 0 -20.2165455595779 16452961 CC1=CC=CC=C1CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=NN=C(S3)C)Cl 1 2.78 5 3 0 -16.4338974628173 16452954 CC1=CC=CC=C1CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)F)Cl 1 4.251 3 3 -8.39579802594694 16452952 CC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3C)C 1 5.018 3 3 -9.69112482595529 16452932 COC1=CC=C(C=C1)C(CNC(=O)COC2=CC=CC=C2)N3CCOCC3 1 2.295 2 4 -16.4126700505564 16452928 CCOC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 2.165 6 5 0 -12.0852200281353 16452903 CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC(=N4)C 1 2.601 6 4 0 -12.9898045970663 16452863 CC1=CC(=CC=C1)NC(=O)C2=C/C(=C/3\C(=CC(=CC3=O)C)C)/NN2 1 1.993 3 2 0 -4.02786359831647 16452810 CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=C(C(=NO4)C)C 1 2.924 5 5 0 -10.141924811076 16452711 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=CC3=O)C4=CC=CC=C4 1 2.437 5 5 0 -10.2149314118845 16452701 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=CC3=O)C4=CC=CC=C4)C 1 2.397 6 4 0 -11.3298165895369 16452639 CCCCOC1=CC=CC=C1C(=O)N(CC2=CC=CO2)C3CCS(=O)(=O)C3 1 2.829 1 5 -16.3950138330945 16452548 CC1=CC(=CC=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC(=N4)C 1 2.601 6 4 0 -11.282345448456 16452494 CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)NC(=O)C)Cl 1 3.165 4 4 0 -12.6759863092105 16452489 CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl 1 3.901 3 5 0 -12.5712453378293 16452407 CC1=CC(=CC=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 2.573 5 4 0 -8.26969559800928 16452342 CCOC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.739 4 6 0 -21.3957349204301 16452325 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 2.237 3 6 0 -11.625141999074 16452095 C1=CC=C(C=C1)N2C(=NN=N2)CS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.684 4 2 -12.6248972050528 16452094 C1=CC=C(C=C1)N2C(=NN=N2)CS(=O)(=O)C3=CC=CC=C3 1 2.019 4 2 -15.635936996924 16450243 CC(C(=O)OC)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3 1 3.553 0 5 -6.6638087396671 16448319 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=N3)Cl 1 3.158 3 3 -16.8103131621504 16448241 COC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CCN2C(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC)OC)OC 1 4.343 2 7 0 -22.4216004152322 16447939 C1=CC=[N+](C=C1)CC(=O)NN/C=C/2\C=C(C=C(C2=O)Br)Br.[Cl-] Cl- 1 1.368 3 2 0 -5.06889739490732 16447161 CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl 1 3.82 3 5 0 -14.8860874871 16447157 CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=C(C=C(C=C3)OC)OC)Cl 1 4.012 3 5 0 -14.1042749860825 16447069 CC1=CC(=CC=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.893 4 5 0 -18.5090864109676 16447050 CC1=CC(=CC=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=C(C(=NO4)C)C 1 2.924 5 5 0 -8.43446566246571 16447016 CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=NN=C(S3)SC)Cl 1 3.602 5 3 0 -16.9612750177257 16447014 CCCC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC(=C3)C 1 3.903 5 3 0 -16.2709613903097 16447002 CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=NN=C(S3)C)Cl 1 2.78 5 3 0 -19.3547475352631 16446993 CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=C(C=CC=C3C)C)Cl 1 5.018 3 3 -11.2427099863534 16446988 CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)F)Cl 1 4.251 3 3 -8.77419154699197 16446868 CCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=C(C=C3)F 1 3.671 5 3 0 -21.9705915201087 16446845 COC1=CC=CC(=C1)CN(C2CCS(=O)(=O)C2)C(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.048 2 7 0 -17.1997377934493 16446694 CC1=CC2=C(C=C1)C(=C(S2)C(=O)NCC(C3=CC=CO3)N4CCCC4)Cl 1 4.842 2 2 -7.26146943871071 16446684 C1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)F)Cl 1 3.764 3 3 -12.1314630031724 16446682 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC4=CC=CC=C4 1 3.334 3 5 0 -18.1035210390588 16446681 CSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3 1 3.116 5 3 0 -20.3185464739061 16446678 CCC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3 1 2.961 5 3 0 -21.1330207915639 16446593 CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)NCC(C3=CC=CO3)N4CCCC4 1 4.284 2 3 1.15744270805306 16446451 CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)NCC3=CC=C(C=C3)OC)C 1 3.365 1 4 -7.35234701132714 16446399 CC(C)C1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=C(C=C3)F 1 3.629 5 3 0 -17.6270690372026 16446382 CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=NN=C(S3)SC)Cl 1 3.602 5 3 0 -19.5037315691265 16446380 COC1=CC(=C(C=C1)OC)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3 1 3.526 3 5 0 -15.4143406593743 16446376 COC(=O)C1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3 1 3.414 3 5 0 -20.0288014444122 16446371 COC1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3 1 3.543 3 4 0 -16.4531579784279 16446370 CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3 1 4.045 3 3 -12.8433400286376 16446369 CC1=CC(=CC=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3 1 4.045 3 3 -11.0530887018333 16446305 CSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3F 1 3.322 5 3 0 -16.5218871147681 16446302 CC(C)C1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3F 1 3.629 5 3 0 -15.3571016083094 16446235 CC1=CC=C(C=C1)OCC(=O)N(CC2=CC(=CC=C2)OC)C3CCS(=O)(=O)C3 1 2.64 1 5 -13.4689523882579 16446231 C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)F)C(=O)COC3=CC=CC=C3 1 2.376 1 4 -12.0453587816688 16446215 CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)OC(F)F)Cl 1 4.851 3 4 0 -10.0375812994529 16446095 CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)NCC3=CC=CC=C3)C 1 3.382 1 3 -6.62055800100667 16446094 CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)NC3CCS(=O)(=O)C3)C 1 1.306 1 5 0 -12.1038062083868 16446093 CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3 1 4.501 3 3 -13.2179507179133 16446092 CC1=C(C(=CC=C1)C)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3 1 4.531 3 3 -14.0853119405454 16446051 CC1=CC=C(C=C1)CNC(=O)C2=CC(=O)C3=C(O2)C=C(C=C3)C 1 3.382 1 3 -8.94096378518004 16446044 CC1=C(C(=O)/C(=C\2/C=C(NN2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)/C=C1)C 1 0.737 6 4 0 -11.7913587704356 16445967 CC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)NC3CCS(=O)(=O)C3 1 0.82 1 5 0 -14.5926122051298 16445920 C1CS(=O)(=O)CC1N(CC2=CC=CO2)C(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 1.246 2 7 0 -20.0461161930579 16445894 CC1=C(C(=O)/C(=C\2/C=C(NN2)C(=O)NC3=CN=CC=C3)/C=C1)C 1 0.357 4 2 0 -5.40151876354818 16445820 C=CCSC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)F 1 3.737 3 4 0 -23.9749147185798 16445815 CSC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)F 1 3.12 3 4 0 -19.1570318818608 16445814 CSC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC(=CC=C4)Cl 1 3.579 3 4 0 -19.2263039912364 16445755 CN(C)C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CO3 1 3.15 2 3 -11.0063576373846 16445752 CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)NCC3=CC=CC=C3)C 1 3.382 1 3 -7.7541957069626 16445750 CC1=C(C(=O)/C(=C\2/C=C(NN2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)/C=C1)C 1 0.6 5 3 0 -15.5298566137155 16445740 CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)NCC3=CC=C(C=C3)OC)C 1 3.365 1 4 -6.21870930537122 16445721 CC1=CC=C(O1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.613 1 7 0 -15.1350449298668 16445677 CC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC(C3=CC=CO3)N4CCCC4 1 4.105 2 3 -0.34368675752673 16445503 CC1=C(C=C2C(=C1)C(=O)C=C(O2)C(=O)NCC3=CC=C(C=C3)OC)C 1 3.365 1 4 -8.94355793401764 16445501 CC1=C(C=C2C(=C1)C(=O)C=C(O2)C(=O)NC3CCS(=O)(=O)C3)C 1 1.306 1 5 0 -14.9040887540513 16445499 CC1=C(C=C2C(=C1)C(=O)C=C(O2)C(=O)NCC3=CC=CC=C3)C 1 3.382 1 3 -9.34540662965309 16445479 CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)NC3CCS(=O)(=O)C3)C 1 1.306 1 5 0 -13.3128778313608 16445400 CC1=C(OC2=C1C=C(C=C2)F)C(=O)NC3=NON=C3C 1 2.527 3 3 2.85349014719293 16445326 CC1=C(OC2=CC=CC=C12)C(=O)NC3=NON=C3C 1 2.322 3 3 -1.75145876045638 16445331 CC1=C(C=C2C(=C(OC2=C1)C(=O)NC3=NON=C3C)C)Cl 1 3.472 3 3 -0.221398586470566 16445332 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NC3=NON=C3C)C)C 1 3.294 3 3 -1.58122014774397 16445333 CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=NON=C3C 1 2.808 3 3 2.36838902740098 16445334 CCC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=NON=C3C 1 3.264 3 3 3.21069536169324 16445308 CCCCC1CCC(CC1)C(=O)NCC(C2=CC=CO2)N3CCOCC3 1 3.847 2 3 -18.7860932189099 16444801 CC1=CC(=O)/C(=C\2/C=C(NN2)C(=O)NC3=C(C=CC(=C3)OC)OC)/C(=C1)C 1 1.474 3 4 0 -8.29821318804848 16442194 CCC1=CC2=C3C(=C1)/C(=C/4\C(=O)NC(=O)S4)/C(=O)N3C(CC2C)(C)C 1 3.37 2 3 -1.75819976758868 16442184 CCCC(C(=O)O)N1C(=O)/C(=C/C2=NC3=CC=CC=C3N2)/SC1=S 1 3.915 3 3 -10.1220403773413 16441040 C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=C(C=C3)C(=O)O)O)F 1 3.525 2 5 0 -10.441191416134 16440949 COC1=CC=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)O 1 3.994 2 4 -11.5405560455513 16440868 C1COCCN1C(=O)CCN2C(=O)/C(=C\C3=CC(=CC=C3)Br)/SC2=S 1 2.997 2 3 -14.4388603413996 16438754 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC(C3=CC=CC=C3)O)Cl 1 2.353 2 4 -19.0294768015649 16438585 CC1=CC=C(C=C1)OCC(=O)N(CC2=CC(=CC=C2)F)C3CCS(=O)(=O)C3 1 2.862 1 4 -11.4597305431752 16438584 CCCOC1=CC=CC=C1C(=O)N(CC2=CC=C(O2)C)C3CCS(=O)(=O)C3 1 2.518 1 5 -12.7223037679201 16438281 CC1=CC=CC=C1OCC(=O)N(CC2=CC(=CC=C2)F)C3CCS(=O)(=O)C3 1 2.862 1 4 -11.4802675101562 16438239 CC1=CC(=C2C(=C1)OC=C2CC(=O)NC3CCS(=O)(=O)C3)C 1 1.856 1 4 0 -14.3189533667546 16438224 CC1=C(C=CC(=C1)OCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCCCC3)Cl 1 4.675 2 3 -14.3774030977518 16438221 COC1=CC=C(C=C1)C(CNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])N3CCCCC3 1 3.419 3 5 0 -17.4431476774998 16438220 COC1=CC=C(C=C1)C(CNC(=O)COC2=CC=CC=C2OC)N3CCCCC3 1 3.508 2 4 -18.9183057633506 16438219 CC1=C(C=CC(=C1)Cl)OCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCCCC3 1 4.675 2 3 -11.2977554877472 16438217 CC1=C(OC2=C1C=C(C=C2)F)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCCC4 1 4.976 2 3 -0.787468915944418 16438137 CCOC1=CC=CC(=C1)C(=O)N(CC2=CC(=CC=C2)F)C3CCS(=O)(=O)C3 1 2.873 1 4 -11.7144220165724 16438110 C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)F)C(=O)C3=CC=CO3 1 1.935 1 4 0 -10.31398704089 16438109 C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)F)C(=O)C3=CC=CS3 1 2.494 1 3 -11.8447940482812 16438052 CC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCCC4 1 5.257 2 3 -1.27257003573637 16438048 CCC1=NON=C1NC(=O)C2=C(C3=C(O2)C=C(C=C3)Br)C 1 3.737 3 3 -3.9827863158128 16438020 COC1=CC=CC(=C1)CN(C2CCS(=O)(=O)C2)C(=O)COC3=CC=C(C=C3)Cl 1 2.818 1 5 -11.6469536976711 16438005 C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)F)C(=O)/C=C/C3=CC=CO3 1 2.403 1 4 -9.55662799145842 16437942 CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Cl 1 2.078 6 5 0 -20.170673499276 16437935 CCCSC1=NC=C(C(=N1)C(=O)NC2CCS(=O)(=O)C2)Cl 1 1.795 3 3 0 -18.199481837873 16437802 CCC1=NON=C1NC(=O)C2=C(C3=C(O2)C(=C(C=C3)C)C)C 1 3.961 3 3 2.29875645782718 16437749 CCC1=NON=C1NC(=O)COC2=CC(=C(C=C2)Cl)C 1 2.893 3 3 -9.11871335879922 16437667 CC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC(C3=CC=CO3)N(C)C 1 3.644 2 3 5.45869450494428 16437666 CN(C)C(CNC(=O)C1=CC=C(C=C1)Br)C2=CC=CO2 1 2.825 2 2 -6.80170631157735 16437630 COC1=CC=CC(=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CC=C3Cl 1 2.983 1 4 -10.9455069080336 16437624 COC1=CC=CC(=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CC=C3Br 1 3.067 1 4 -10.4065200101505 16437596 CC1=CC=C(C=C1)C2=NC(=C(O2)N3CCCCC3)P(=O)(OC)OC 1 3.123 2 4 2.95520776236068 16437595 CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCC3=CC=CC=C3 1 2.895 1 3 -8.95705327846417 16437487 CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NC3CCS(=O)(=O)C3)C 1 1.856 1 4 0 -11.1344748602293 16437463 CCSC1=NC=C(C(=N1)C(=O)NC2CCS(=O)(=O)C2)Cl 1 1.271 3 3 0 -15.6780131234188 16437453 CCC1=NON=C1NC(=O)COC2=CC(=C(C(=C2)C)Cl)C 1 3.379 3 3 -8.79696441044801 16437451 COC1=CC=CC(=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CC=C3 1 2.318 1 4 -12.4201039957133 16437423 COC1=CC=CC(=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 2.348 1 6 0 -16.7519231466521 16437390 CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.184 1 5 -11.9682396552148 16437321 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-17.7362356886571 16425162 CC(C)[C@@H](C(=O)NCC1=CC=NC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.652 4 4 0 -28.10711410544 16424992 C1CC(=O)N(C1)CCCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 -0.268 4 3 0 -27.4194461912557 16424772 CCC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCCN4CCOCC4 1 3.536 5 1 -8.27402531136036 16424744 CC1=NC2=NC(=CN2N=C1C)CCNS(=O)(=O)C3=CC(=C(C=C3)OC)F 1 1.43 5 3 0 -10.6439807268088 16424717 C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4Cl 1 2.456 3 4 0 -30.5859290363796 16424619 CC(C)[C@@H](C(=O)NCC1=CC=CO1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.779 3 5 0 -31.4418772204328 16423676 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)C 1 2.696 2 7 0 -14.5481065933216 16423662 CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.581 3 5 0 -29.6039625285096 16423590 CCN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)/C(=C/C3=CC(=CC=C3)Cl)/SC2=O 1 1.934 2 5 0 -15.2364225807251 16423475 CC1(CC2=C(CO1)C3=C(S2)C(=O)N(C(=O)N3CC(=O)NC4=CC(=CC=C4)OC)C)C 1 2.016 3 5 0 -16.7022913122421 16423218 C1COCCN1CCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl 1 4.522 1 1 0.89920246813186 16422746 CC1=CC(=C(N1CC2=CC=CC=C2)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C5=CC=CO5 1 4.664 5 2 0 -13.1062172141276 16422603 CCCN1C2=C(C3=C(S2)COC(C3)(C)C)C(=O)N(C1=O)CC(=O)NCC4CCCO4 1 1.593 3 5 0 -30.7336246893276 16422340 C1CN(CCC1C(=O)NCCC(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 0.583 4 4 0 -31.936436741289 16422246 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3C)CC(=O)NCC4CCCO4)C 1 0.72 3 5 0 -30.5140630731051 16422147 CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O)Cl 1 2.936 3 4 0 -21.5382233319593 16422139 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3 1 1.881 2 5 0 -8.64373438035219 16422064 CN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)/C(=C/C3=CC=CC=C3OC)/SC2=O 1 0.905 2 6 0 -18.0121544120134 16422045 CC1=C(C(=O)OC2=C1C=CC(=C2O)O)CC(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4 1 1.925 2 8 0 -9.67259191547966 16422036 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCCN3CCOCC3)OC 1 1.616 3 5 0 -19.2852691313493 16421972 C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)N[C@@H](C4=CC=CC=C4)C(=O)O 1 3.108 3 4 0 -15.5036525605737 16421865 CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4 1 2.831 2 7 0 -13.0094521834281 16421295 CC(C)[C@@H](C(=O)NCC1=CC=CO1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.984 3 5 0 -29.7365963292066 16421282 COC1=CC=CC=C1CNC(=O)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.502 3 5 0 -32.2589071880513 16421255 CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N(C)C3CCS(=O)(=O)C3 1 1.767 1 6 0 -19.5834138016672 16421250 CC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CN3C(=N2)N=C(C(=N3)C)C)C 1 2.213 5 2 0 -9.01253191099148 16421225 C1CN(CCC1C(=O)NCCC(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 0.573 4 4 0 -28.4793879369034 16421211 C1CN(CCC1C(=O)NC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.256 3 3 -9.21938531432079 16421194 CCC1=C2COC(CC2=C(C(=N1)N3CCN(CC3)CC(=O)NCC4CCCO4)C#N)(C)C 1 1.426 5 3 0 -25.7859836069647 16420955 CN(C1CCS(=O)(=O)C1)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 0.656 1 6 0 -19.4249331650678 16420567 C1CN(CCC1C(=O)NCCC(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)F 1 2.388 3 4 0 -29.3190229166109 16420480 CN(C1CCS(=O)(=O)C1)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4 1 2.135 1 6 0 -16.1418466617425 16420232 CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(=O)C)CC(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4 1 2.663 2 8 0 -13.9766399114172 16420070 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC(=O)NCC3=CC=NC=C3 1 -0.512 5 5 0 -33.0220157497294 16419951 COC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.757 4 5 0 -9.59488266709845 16419795 C1CN(CCC1C(=O)NCCC(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)F 1 2.388 3 4 0 -26.1333847955406 16419480 CC1=NC2=NC(=CN2N=C1C)CCNS(=O)(=O)C3=CC=C(C=C3)Cl 1 1.905 5 2 0 -7.14214106483709 16419248 CC1=CN=C(C=C1)NC(=O)CCCC2=CNC3=CC=CC=C32 1 3.73 3 1 -11.1620583903189 16419233 C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OCC(=O)NC4=CC=C(C=C4)CN5CCOCC5 1 3.922 2 5 0 -13.9289356783409 16418958 CN1C2=C(C3=C(S2)CCCC3)C(=O)N(C1=O)CC(=O)NCC4CCCO4 1 1.564 3 4 0 -24.8195607496253 16418630 CN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)/C(=C/C3=CC(=CC=C3)Cl)/SC2=O 1 1.585 2 5 0 -15.0336356038506 16418589 CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4 1 2.167 2 7 0 -11.8554478157986 16418417 CCN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)/C(=C/C3=CC=CC=C3OC)/SC2=O 1 1.253 2 6 0 -18.214941388888 16418403 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 1.848 1 6 0 -20.400706804826 16417823 CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CC(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4 1 2.879 2 7 0 -12.9219253520786 16417797 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)N[C@@H](C)C(=O)NCCCN4CCOCC4 1 0.284 4 6 0 -12.4770966940646 16416890 CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)NCC(=O)NCC(=O)O 1 1.758 2 5 0 -11.4782523770329 16416571 CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4 1 2.735 2 7 0 -12.63105336537 16416120 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)N[C@@H](C(C)C)C(=O)NCCCOC 1 1.17 3 6 0 -19.7081443247351 16415886 CN1C2=CC=CC=C2N=C1CN3CCN(CC3)C4=CC=CC=C4NS(=O)(=O)C 1 2.358 5 2 0 1.19321701716615 16415757 C1=CC(=C(C=C1Cl)C2=CC=C(O2)C(=O)NCCCNC(=O)C3=NC=CN=C3)Cl 1 2.618 4 3 0 -5.28297280149842 16415746 CC(C)[C@@H](C(=O)N1CCCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.799 3 4 0 -26.5430605529644 16415642 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)N[C@@H](CCSC)C(=O)NCCCN4CCOCC4 1 0.612 4 6 0 -19.561684731253 16415498 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)N[C@@H](CCSC)C(=O)NC(C)(C)CO 1 0.766 3 6 0 -16.3064467887434 16415315 C1CN(CCC1C(=O)NCCC(=O)NC2=NC=CS2)S(=O)(=O)C3=CC=C(C=C3)F 1 0.714 4 4 0 -25.9488587347304 16415065 CCOC(=O)N1CCN(CC1)C(=O)C(=O)NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)O 1 0.674 3 7 0 -21.2029523855214 16415026 CC(C)N1C2=C(C3=C(S2)COC(C3)(C)C)C(=O)N(C1=O)CC(=O)NCC4CCCO4 1 1.447 3 5 0 -31.140642352471 16414935 C[C@@H](C(=O)NCC1CCCO1)NC(=O)N2CCN3C2=NC4=CC=CC=C43 1 1.136 5 3 0 -14.982673265491 16414808 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCCC4=O 1 2.87 3 3 -21.7178368021878 16414678 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC(=O)NCC3=CC=CC=C3OC 1 1.485 3 6 0 -31.4386779120374 16414023 COC1=CC(=CC(=C1)/C=C/2\C=CC(=O)O2)OC 1 2.039 0 4 -5.68521021090147 16413927 C1CN=C(N1)[NH2+]C2=C(C=CC3=NSN=C32)Cl.[Cl-] Cl- 1 1.837 5 0 0 -1.23526440624857 16413918 C[N+]1(CC[C@@H](C1)OC(=O)[C@](C2CCCC2)(C3=CC=CC=C3)O)C.[Br-] Br- 1 1.457 1 3 0 -5.92822781610413 16413909 CC(C)(C)OC(=O)N1CCC(CC1)N(C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 4.429 2 3 -6.33963014992725 16413908 CC1=CC(=CC(=C1)N(C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3)C 1 4.737 2 3 -9.22093513037919 16413906 CC1=CC(=CC(=C1)N(C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)C3=CC(=CC=C3)OC)C 1 4.721 2 4 -9.00836445564072 16413905 CC(=O)NC1=CC=C(C=C1)N(C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)C3=CC(=CC=C3)OC 1 2.869 3 5 0 -11.9811837543318 16413904 CC(C)(C)OC(=O)N1CCC(CC1)N(C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3 1 3.971 2 3 -7.44975181504882 16413903 CC(=O)NC1=CC=C(C=C1)N(C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3 1 2.885 3 4 0 -12.3335923332919 16413771 C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC3=C2C=NN3 1 1.741 4 3 0 -10.5908682164885 16413722 CC(=[N+](C)CCNS(=O)(=O)C1=CC=C(C=C1)Cl)NC2=CC=CC=C2OC.[I-] I- 1 2.52 3 3 -7.10172744031065 16413721 CC(=[N+](C)CCNS(=O)(=O)C1=CC=C(C=C1)Cl)NC2=CC(=C(C=C2)OC)Cl.[I-] I- 1 3.185 3 3 -5.48742528749424 16413720 CC(=[N+](C)CCNS(=O)(=O)C1=CC=C(C=C1)Cl)NC2=CC(=CC=C2)OC.[I-] I- 1 2.52 3 3 -3.89274224301595 16413719 CC1=CC(=CC(=C1)NC(=[N+](C)CCNS(=O)(=O)C2=CC=C(C=C2)Cl)C)C.[I-] I- 1 3.509 3 2 -4.22524542738955 16413718 CC(=[N+](C)CCNS(=O)(=O)C1=CC=C(C=C1)Cl)NC2=CC=C(C=C2)F.[I-] I- 1 2.742 3 2 -3.12460440309423 16413661 C1CC(OC1)CNC2=C(C=CC=C2C#N)C#N 1 1.755 3 1 0 -5.33336407269288 16413575 COC1=CC=CC=C1N2CCN(CC2)CC3=CN=C4N3C=C(C=C4)Cl 1 3.136 4 1 -1.31625535490617 16413476 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2N/N=C(/CC#N)\N 1 2.434 6 0 -3.90577478858554 16413335 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC3=C(SC=C3)C(=O)O 1 3.758 1 4 -7.6824289160423 16413337 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC3=C(SC=C3)C(=O)O 1 3.461 1 5 -5.70905462857315 16413339 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC3=C(SC=C3)C(=O)O 1 3.444 1 6 0 -5.37128776968069 16413341 C1=CC(=CC=C1NS(=O)(=O)C2=CC=C(C=C2)Cl)OC3=C(SC=C3)C(=O)O 1 4.125 1 5 -2.99104629875017 16413342 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)OC3=C(SC=C3)C(=O)O)F 1 3.666 1 5 -4.26726009468769 16413328 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)OC3=C(SC=C3)C(=O)O)F 1 3.963 1 4 -8.32462674052926 16413299 CS(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)C3=CN=CC=C3 1 2.532 2 2 -1.77390951450902 16413190 COC1=C(C=C(C=C1)CCN2CC3=C(C2=O)C=CC=C3[N+](=O)[O-])OC 1 2.763 2 5 0 -9.17092328955053 16413220 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC3=C(SC=C3)C(=O)O 1 3.758 1 4 -11.4735718204381 16413212 C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2OC3=C(SC=C3)C(=O)O)F 1 3.963 1 4 -12.1157696449251 16413182 CC1=C(C(=CC(=C1)CC2C3=CC=CC=C3NC2=O)OC)O 1 2.998 1 3 -6.29828358038482 16413179 C1=CC=C2C(=C1)C(C(=O)N2)CC3=CC=C(C=C3)OC(F)(F)F 1 4.89 1 2 -3.04504794720923 16413174 COC(=O)C1=CC(=CN1S(=O)(=O)C2=CC=CC=C2)Br 1 3.176 1 4 -5.96793435179268 16413169 CC1=C(C(=NN2C1=NN=C2)C)CC3=C(C=CC=C3Cl)F 1 3.771 4 0 -5.03915272100497 16413111 CS(=O)(=O)/C(=C\C1=CN=C(S1)S(=O)(=O)C2=CC=CC=C2)/C#N 1 1.798 2 4 0 -9.9182081202916 16413025 COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CNC3=CC=CC=C32)OC 1 2.906 2 4 -12.1867393107446 16412981 CC(C(=O)OC)OC1=CC=C(C=C1)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.442 1 3 -4.1326320593875 16412863 C1=CC=C(C(=C1)C(=O)C2=NC=CN2)Cl 1 2.192 2 1 -2.96321355032092 16412857 C/[N+](=C\C1=CC(=CC=C1)OCCN2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)/[O-] 1 3.667 4 2 6.62871681298784 16412761 CN1CCN(CC1)C(=O)C2=CC(=CN2C)Br 1 1.54 3 1 0 -0.758814664649932 16412757 C1CSCCN1C(=O)C2=CC(=CN2)Br 1 1.809 2 1 0 -2.44679141216433 16412664 CC1=C(SN=[N+]1C)/N=C(/NC2=CC=C(C=C2)Br)\[O-] 1 2.926 4 1 -1.90542134030471 16412635 COC1=C/C(=C/NNC(=O)C2COC3=CC=CC=C3O2)/C=CC1=O 1 0.467 2 5 0 -1.46885180278088 16412603 CC(C)(C)C1=CC=[N+](C=C1)C\2=C(C3=CC=CC=C3C(=O)/C2=N\S(=O)(=O)C4=CC=CS4)[O-] 1 3.991 2 4 -4.74224906763445 16412578 C1COC2=C(O1)C=CC(=C2)N3C(=O)[C@H]4[C@@H](C3=O)NN=C4C(=O)CCN5C(=O)C6=CC=CC=C6C5=O 1 0.629 4 7 0 -11.1361607182402 16412561 CCN\1C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N(/C1=C/C=C\3/C(=O)N(C(=S)S3)CC)C4=CC=CC=C4 1 5.208 4 3 0 -10.6460418189574 16412548 CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NC3=CC=CC(=C3)C(=O)O 1 2.321 3 5 0 -19.9571957018501 16412410 COC1=CC=CC(=C1)C2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(=O)N2CC4=CC=CO4 1 3.125 1 5 -5.45307224369576 16412335 CCOC1=C(C=CC(=C1)C2/C(=C(\C3=CC=C(C=C3)OC)/O)/C(=O)C(=O)N2CC4CCCO4)O 1 2.808 1 7 0 -10.2256102423802 16412272 CC1=CC(=NO1)NC(=O)CN2C(=O)[C@H]3[C@H]4C[C@@H]([C@H]3C2=O)C(C4Br)Br 1 0.959 3 4 0 -18.2404394246397 16412261 CCOC(=O)/C(=C/C=C\1/C=CC=CN1C)/C#N 1 1.217 2 2 0 -6.78850300202824 16412231 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NCC3=CC=NC=C3 1 2.322 4 4 0 -20.7830240887526 16412201 C1=C/C(=C\NNC2=NC(=O)C(S2)CC3=CC=C(C=C3)F)/C(=O)C=C1 1 2.52 3 2 -3.53613353837545 16412199 C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)C\3=C(C4=CC=CC=C4C(=O)/C3=N\S(=O)(=O)C5=CC=CS5)[O-] 1 5.478 2 4 -6.93142301864982 16412087 C/C(=C(/C(=O)OC)\NNC1=CC=CC=C1C(=O)OC)/N=O 1 1.487 3 5 0 -6.90584399475856 16412014 CC1=CC(=NO1)N2C(=O)[C@H]3[C@H]4C[C@@H]([C@H]3C2=O)C(C4Br)Br 1 1.899 2 3 0 -6.52065588373658 16411952 CCOC1=C/C(=C/NNC2=NN3C=NN=C3C4=CC=CC=C42)/C=CC1=O 1 0.947 6 2 0 -5.26461891835715 16411919 C1C2CC3CC1CC(C2)(C3)NC(=O)NN/C=C/4\C=CC(=O)C=C4O 1 0.943 3 3 0 -5.28035173733261 16411900 CCN1C(=O)/C(=C/C2=CC3=CC=CC=C3OC2C)/SC1=S 1 3.938 1 2 -5.69936466098914 16411798 C1CCN(C(C1)C2=CN=CC=C2)N/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=CC=C4 1 2.054 5 2 0 -0.432790956952043 16411740 CC(C)[N+]1=CN(C=C1)C\2=C(C3=CC=CC=C3C(=O)/C2=N\S(=O)(=O)C4=CC=CC=C4)[O-] 1 3.362 3 4 0 -3.79291563308174 16411727 C1=CC=C2C(=C1)C(=O)N/C(=C/C=C\3/C=CC(=O)C(=C3)O)/O2 1 1.84 1 4 0 -0.572785818206109 16411717 CC\1=NN(C(=O)/C1=C/NNC(=O)C2=CC=CC=C2F)C3=CC=CC=C3 1 1.488 4 2 0 -7.94909457785118 16411712 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COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3)N4CCCC4 1 3.721 3 4 0 -16.6239913741693 16327817 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3(CCCCC3)N4CCOCC4 1 3.05 3 5 0 -13.8272011034688 16327785 CN(CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC 1 2.782 3 6 0 -20.6768622188387 16327768 CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3)C4CC4 1 2.504 5 4 0 -27.1418064247113 16327743 C1CC(N(C1)CC(=O)NC(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4 1 2.595 3 4 0 -1.54792505518961 16327741 C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)Cl)F 1 3.087 3 3 1.1546137688707 16327740 C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4)F)Cl 1 3.087 3 3 0.140646215567609 16327737 C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)F 1 2.423 3 3 -1.04593965041746 16327702 CC1=C(C=C(C=C1)C(=O)N(C)CC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)NCC4=CC=CC=C4 1 3.658 3 4 0 -11.1327928350345 16327683 C1CCC(C1)N2C(=CC=N2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F 1 1.922 5 3 0 -41.5119103678043 16327674 CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)NC3=CC=C(C=C3)Br 1 2.312 3 4 0 -23.1348160606353 16327673 CC(C(=O)NC1=CC=CC=C1)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.717 3 3 0 -13.09162545209 16327645 CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=O)C(=O)N(C2=O)C(C)C)C 1 0.966 3 6 0 -19.2798092743995 16327592 C1CCC(CC1)(CNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl)N4CCOCC4 1 2.169 4 4 0 -24.8625080095388 16327580 CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NCC3(CCCCC3)N4CCCCC4)C 1 4.603 6 1 0 -26.4518781272049 16327577 CC1=C(SC=C1)CN(C)C(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 3.386 3 3 -10.3198026294425 16327571 CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4 1 2.086 4 5 0 -26.7583833227765 16327570 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C4=CC=C(C=C4)C 1 2.3 4 5 0 -19.6875971995384 16327565 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4 1 0.83 4 5 0 -23.6973780721407 16327555 CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3 1 3.5 3 3 -24.6659309286547 16327542 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)CC(CN3CCOCC3)O 1 0.187 3 6 0 -17.4522091167539 16327531 CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC 1 3.833 3 4 0 -16.8133886208344 16327529 COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4 1 2.444 3 5 0 -7.0684322301763 16327526 C1CCC(CC1)(CNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)N4CCOCC4 1 2.169 4 4 0 -24.1745524182147 16327510 CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=C(S3)C(=O)O)C)C(=O)O 1 3.085 2 7 0 -19.3707488618765 16327509 CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)C3=CC=CC=C3)C(=O)O 1 2.394 2 7 0 -18.989292481477 16327508 CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=C(S3)C(=O)O)C)C(=O)O 1 2.605 2 7 0 -20.9119173348898 16327504 C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.091 2 5 0 -17.0374088913428 16327502 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=CO3)N4CCCC4 1 3.718 3 4 0 -22.3593044317704 16327478 C1CC(N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C(=O)O 1 1.853 2 5 0 -13.8067658808324 16327471 CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3Cl)C(=O)O 1 2.351 2 7 0 -19.5825582524306 16327470 CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)Cl)C(=O)O 1 2.351 2 7 0 -17.8711094221571 16327469 CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)F)C(=O)O 1 1.892 2 7 0 -18.9812310872786 16327466 COC1=C(C=C2C(N(CCC2=C1)C(=O)CC3CCCC3)CC(=O)O)OC 1 2.879 1 5 -19.2916611965018 16327462 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CC3=CC=C(C=C3)F 1 3.093 2 3 -10.6135979563065 16327461 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CC3=CC=CS3 1 2.841 2 3 -14.2113134703222 16327459 CN1CCCN(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F.Cl Cl- 1 3.431 4 2 -4.11019791185712 16327458 CN1CCCN(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4.Cl Cl- 1 2.489 4 2 -9.0690532748044 16327446 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4 1 3.406 2 5 0 -8.6970447391657 16327426 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CC(C#N)SC1=NC=C(C=C1)S(=O)(=O)N(C)C2CCCCC2 1 2.95 3 2 -6.08736364297095 16327223 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4 1 2.027 7 2 0 -13.1777696840863 16327222 C1CC(OC1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NCC(=O)NC4=CC=CC=C4F 1 1.452 4 5 0 -26.8857600373541 16327209 C1CN(CCN1C(=O)CNC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.047 4 5 0 -19.926281818231 16327151 CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CNC(=O)C3=CC=C(C=C3)N4CCCC4=O 1 1.451 5 4 0 -26.2854406176036 16327139 CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N(C)CC3=CC=CC=C3)Br 1 2.988 3 3 -19.102419610431 16327127 CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5 1 4.33 5 2 0 -7.04749936962919 16327124 C1CS(=O)(=O)N=C2N1C=CC=C2C(=O)NC3=CC=C(C=C3)OC4=CC=C(C=C4)Br 1 1.943 3 4 0 -7.37566188722766 16327121 CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)CNC(=O)CC3=CC=CC4=CC=CC=C43)C 1 2.813 4 3 0 -12.3840094686789 16327118 CC1CCCCC1NC(=O)CN2C=NC3=C(C2=O)C=CS3 1 1.98 3 2 0 -16.7440766363294 16327101 CC(C)NC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCOCC2 1 0.131 4 5 0 -29.6761875888064 16327100 CNC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCOCC2 1 -0.596 4 5 0 -25.3256807769954 16327075 C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5 1 3.386 4 3 0 -18.8200897311369 16327022 C1CC(CN(C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)N 1 0.824 4 2 0 0.519239876428747 16327019 CC(C(=O)NC1=CC=CC=C1)N(C)CC2=CC=CS2 1 2.764 2 1 -6.5069736354333 16326943 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC 1 3.598 3 6 0 -9.62601832420292 16326928 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3CCCC3C4=CC=CS4 1 3.243 3 4 0 -22.3640062853679 16326927 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3CCCC3C4=CC=CS4 1 3.62 3 4 0 -22.3488281671382 16326915 C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)S(=O)(=O)C5=CC=C(S5)Cl 1 3.056 4 3 0 -14.6708031649201 16326897 C1CC1N(CC2=CC=CC=C2F)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 2.235 3 3 -13.0508905340615 16326874 COCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5 1 2.869 3 4 0 0.54036382717756 16326833 CCOC1=C(C=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)C(=O)N)S(=O)(=O)N4CCCC4 1 1.054 7 5 0 -19.3443119513328 16326830 CC1=CC(=NO1)CN2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4 1 1.796 7 2 0 -11.8216945845825 16326828 CC(C1=CC=CO1)NCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4 1 0.324 4 6 0 -21.0954819224113 16326827 CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(=O)NCC3(CCCCC3)N4CCCCC4 1 3.716 5 2 0 -13.8996320891744 16326821 C1CCC(CC1)(CNC(=O)CN2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F)N4CCOCC4 1 1.72 5 3 0 -11.2374846911982 16326814 CC1=NC(=CS1)CC2=NN=C(O2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)O 1 2.045 5 3 0 -14.2467294071176 16326780 CC(C(=O)NC1CCS(=O)(=O)C1)SC2=NN=C(N2C3CC3)CC4=CC=CS4 1 1.938 4 3 0 -24.4771123985575 16326767 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 1.731 4 5 0 -19.2093122599938 16326678 CC1(CCS(=O)(=O)C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4 1 2.159 4 4 0 -18.7012185423867 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-19.680554774172 16323780 CC1=C(C=C(C=C1)NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)S(=O)(=O)N4CCCCC4 1 2.66 4 4 0 -20.8093481989065 16323760 CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CSC3=NN=NN3C4=CC=CC=C4C)N 1 2.708 8 3 0 -27.3962870447844 16323751 CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CSC3=NN=CN3C4=CC=CC=C4)N 1 2.481 7 3 0 -16.3576284052134 16323742 COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)F 1 3.464 3 4 0 -15.4467944646354 16323741 COC1=C(C=C(C=C1)F)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 1 3.464 3 4 0 -17.0222243645517 16323738 COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)NCC(C3=CC=CO3)N4CCCC4)C5=CC=CC=C5 1 4.679 4 4 0 -6.38994698290986 16323732 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC(C3=CC=CO3)N4CCCCC4)OC 1 3.952 3 5 0 -18.4813634294575 16323708 CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)OCC4=CN5C=CC=CC5=N4 1 3.302 5 3 0 -14.4999935855919 16323670 C1=CC=C(C(=C1)C2=NN=C(O2)COC(=O)CCNS(=O)(=O)C3=CC=CC=C3Cl)Cl 1 3.101 3 5 0 -17.9417925324812 16323698 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0 -16.7312213258959 16323058 CC(C)C(C(=O)N1CCC(CC1)C(=O)N)NS(=O)(=O)C2=CC=CS2 1 0.594 3 4 0 -19.5942183513893 16323055 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3(CCCCC3)N4CCOCC4 1 3.552 3 4 0 -13.5595524037827 16323000 C1CN(CCN1C(=O)C2=CC(=CC=C2)N3C=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.909 3 3 -17.1891554166795 16323002 C1CC(CN(C1)C(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)C(=O)N 1 1.146 3 3 0 -13.826860689951 16323003 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC(C3)C(=O)N 1 1.343 3 4 0 -19.1023298032296 16323037 C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CC3=CC=CO3)C(=O)COC4=CC=CC=C4)N 1 1.853 4 5 0 -9.55997668316299 16322983 CC(C(=O)NC1=CC=CC=C1F)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F 1 3.172 3 3 -21.3267694244635 16322969 C1CN(CCN1C(=O)CCNC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.708 4 4 0 -23.8322459327216 16322920 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5 1 3.899 4 3 0 5.44723910354774 16322919 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5 1 3.693 4 3 0 3.96781419971904 16322885 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C(=C(SC4=NC(=N3)CN5CCCC5)C)C 1 3.938 5 2 0 -14.6270010101127 16322882 CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)COC3=CC=CC=C3CC4=CC=CC=C4 1 4.582 3 3 -9.43001106466927 16322879 CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)N4CCOCC4 1 2.556 3 5 0 -9.53598690262844 16322878 CC1=C(C(=CC=C1)NC(=O)CN(CC2CCCO2)C(=O)C3=CC4=CC=CC=C4O3)C 1 3.806 2 4 -8.3857985607251 16322877 CN(CC1=CC=CC=C1F)C(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O 1 2.313 3 3 -7.956607363066 16322860 C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)N3CCN(CC3)CC4=CC=CC=C4)OC1 1 1.395 3 5 0 -10.1861086763303 16322831 COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CN3C(=O)C4(CCC5=CC=CC=C54)NC3=O 1 3.497 3 4 0 -10.2124280137861 16322805 CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4 1 3.706 3 4 0 -23.1601019096502 16322790 CCOC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)S(=O)(=O)N4CCCC4 1 0.734 5 6 0 -24.5100112364526 16322778 C1CN(CCN1C(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)S(=O)(=O)C5=CC=CC(=C5)F 1 1.091 3 6 0 -24.3952858498935 16322769 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC2=CC=CC=C2C(=O)NCC3=CC=CC=C3 1 2.358 3 5 0 -20.6562599512004 16322722 C1CN(CCN1C(=O)C2=NNC(=O)C=C2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F 1 0.86 4 4 0 -22.7209591628193 16322719 CN(CC1=CC=CC=C1N2CCOCC2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4 1 2.874 6 2 0 -8.17468961546205 17774509 CNC1=CC(=NC(=N1)NC)NS(=O)(=O)C2=CC=C(C=C2)N.Cl Cl- 1 0.536 6 2 0 -6.05429947515361 17757275 C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)NC4=C(C=CC(=C4)Cl)O 1 3.478 4 2 3.75218551067415 17757274 CC(C)(C)OC1=CC=CC=C1NC2=NC(=NC(=N2)N3CCCC3)NCCO 1 2.136 6 2 0 -0.670367964447542 17756794 C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)[O-])O.[Na+] Na+ 1 1.565 0 6 0 -2.32992876278515 17751039 CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)O)NC5=C4C=CC(=C5)OC)O.Cl Cl- 1 -1.013 2 5 0 -6.29404226686635 17749659 COC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=C(C(=O)C3=CC=CC=C32)NS(=O)(=O)C4=CC=CC=C4 1 2.699 2 6 0 -2.68170105741156 17737872 C1=CC=NC(=C1)SCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.259 4 2 0 -18.8858393399742 17718415 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 1.355 3 3 0 -13.0541815491647 17718408 CC1=CC=CC=C1C(=O)NNC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 1.636 3 3 0 -17.7066395541964 17715298 C1=CC=C(C=C1)CNC(=O)C2=CNC3=CC=CC=C3C2=O 1 1.964 2 2 0 -11.5356885660003 17654072 CC1=C(C=CC(=C1)Cl)NS(=O)(=O)C2=C(NC(=O)NC2=O)C 1 0.844 3 4 0 -11.5371707745602 17654067 CC1=CC(=CC(=C1)NS(=O)(=O)C2=C(NC(=O)NC2=O)C)C 1 0.666 3 4 0 -13.6456120069491 17653349 C1CN(C2=C1C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5 1 3.641 3 3 -16.6910768543941 17653343 C1CN(C2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N)S(=O)(=O)C4=CC=CC=C4 1 2.385 3 4 0 -23.4738103126887 17650026 C1CN(CCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 1.672 3 6 0 -14.0089169464268 17649597 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4 0 -21.7817936092084 17554954 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)OC(C)C(=O)C3=C(C=CC(=C3)C)C)(C)C 1 4.102 2 5 0 -12.437915710127 17554948 C1CC(=O)NN=C1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3 1 0.79 6 2 0 -19.2356246016034 17554211 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)OCC2=C(C=CC=C2Cl)Cl 1 3.673 2 4 -19.753519858714 17551768 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)NC(=O)N3)C4=CC=C(C=C4)OC(F)F 1 1.381 5 5 0 -11.6699463057646 17551569 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)NC3CCCCC3 1 3.002 4 4 0 -19.4672327185642 17550691 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.79 2 5 0 -8.61444843846686 17550570 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4 1 3.242 4 4 0 -20.3285399888609 17550088 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=CC=C2NCCO 1 -0.272 2 6 0 -20.1533888342598 17549597 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 0.658 3 7 0 -18.4533492730967 17549438 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 1.511 4 4 0 -17.7319637441866 17547928 C1=CC2=C(C=C1NC(=O)COC(=O)C3=C(C=CC(=N3)Cl)Cl)NC(=O)N2 1 2 4 4 0 -20.1679562236613 17547485 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4(CCCCC4)NC3=O)C 1 1.795 4 5 0 -17.8789747908974 17546962 COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3 1 0.557 3 5 0 -14.3712899175562 17546448 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-] 1 2.221 4 5 0 -15.4774417320123 17544647 CC1(CC(CC(N1)(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C 1 1.35 3 4 0 -22.4715836500866 17544312 COC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C=C2Cl)N4CCCCCC4=NS3(=O)=O 1 3.345 3 4 0 -11.2620513179233 17544200 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC3CCCO3 1 3.226 1 3 1.83290708075434 17544038 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3OC(F)F 1 2.631 3 4 0 -11.9328694010374 17543882 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3CCCO3)Cl 1 2.881 2 5 0 -15.0968241236259 17543869 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3)Cl 1 3.189 2 4 -8.12431888682417 17543671 C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC(=O)NCC4=CC=C(C=C4)F 1 2.831 2 4 -9.866706722346 17543573 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCC2=CC=CC=N2 1 4.735 2 2 -13.5238192018392 17543570 CC1CCC2=C(C1)C=C(S2)C(=O)NNS(=O)(=O)C3=C(C(=C(C=C3)F)F)F 1 3.779 2 3 -10.1377221990859 17543199 CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 3.688 3 2 -8.84047724988248 17542530 CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C 1 2.764 3 4 0 -20.5120647294816 17542334 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4 1 3.9 2 4 -18.7150569372599 17542078 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 3.695 2 4 -20.2905757551229 17541540 CCN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 2.636 3 2 -17.0099013117902 17540853 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC(C3=CC=CC=C3OC)N(C)C)F 1 3.952 3 4 0 -9.65422754660287 17540828 CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)Br)C3=CC=CO3 1 3.313 3 4 0 -10.4320617395563 17540413 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC(C3=CC=CC=C3)N(C)C 1 3.609 3 4 0 -9.730274760611 17540194 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCC2=CC=NC=C2 1 4.52 2 2 -11.978242612664 17540080 CC1=CC=C(C=C1)C(=O)NCC(=O)NCCSC2=CC=C(C=C2)Br 1 3.522 2 2 -11.5895288774541 17540039 CCC1CCC2=C(C1)C=C(S2)C(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC 1 3.908 2 3 -7.98869006179429 17539620 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC3=NC4=CC=CC=C4N3 1 3.744 3 3 3.75302782175879 17539535 CC(C)(CNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)F)N3CCOCC3 1 2.345 3 4 0 -12.0688973345156 17539529 COC1=CC=CC=C1CC(=O)N(CCC2=CCCCC2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 3.599 4 4 0 -10.3546625026941 17539267 CN(CC(=O)NNC(=O)CC1=CC=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.745 3 4 0 -11.1941589466587 17539168 CCOC1=C(C=C(C=C1)CCNC(=O)C2(CC2)C3=CC=CC=C3)OCC 1 4.15 1 3 -14.9714816830793 17538600 COC1=CC=CC=C1NC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 2.982 3 3 -23.831718823713 17538393 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N(C)C 1 3.051 3 4 0 -10.9427181944998 17538322 CSCCC(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4 1 4.268 3 2 -24.615844002603 17538170 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N(C)C 1 3.537 3 4 0 -9.42664444114966 17537629 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 3.289 2 5 0 -9.89693526766113 17536973 COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC(C3=CC=CS3)N4CCOCC4)C5=CC=CC=C5 1 4.48 4 3 0 -3.03521452290153 17536862 CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C)C 1 3.773 2 3 -10.3351225857241 17536857 CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 3.383 2 4 -17.5846004073483 17536473 CC(=O)N1CCN(CC1)C(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C 1 3.51 2 3 -7.68000084521938 17536116 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)CCNC(=O)C2=CC=CO2 1 2.19 3 4 0 -17.3938150777629 17535743 CN(C)C(CNC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CO3 1 3.313 3 4 0 -8.98584676293519 17535421 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCC2CCCO2 1 4.446 1 3 -15.9774225580294 17534894 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 2.484 3 5 0 -13.8458730734746 17534867 CC1=C(C=CC(=C1)Br)SCC(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3 1 4.088 2 3 -17.6710639988992 17534442 CC1=CC=CC=C1C(=O)NCC(=O)NCC2(CCCCC2)N3CCOCC3 1 2.124 3 3 -19.4148936049616 17534262 CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCCCN3CCOCC3)C4=CC=CC=C4 1 3.586 4 2 -6.26459493856292e-002 17534201 CC(C)(CNC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)N3CCOCC3 1 2.683 3 4 0 -11.6095379947744 17553190 COC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)N4CCOCC4)C5=CC=C(C=C5)OC 1 2.764 4 6 0 -7.64365632026973 17533708 CCOC1=C(C=C(C=C1)CCNC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)OCC 1 2.664 2 6 0 -19.7298554649721 17533389 CC1CC(CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl)C 1 3.717 2 3 -13.8058894662342 17552015 C1CN(CCN1C(=O)COC(=O)C2=CC=CC=C2NCCO)C(=O)C3=CC=CO3 1 0.496 3 6 0 -12.3629117434583 17532592 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(C)(C)N3CCOCC3)F 1 2.626 3 4 0 -12.8032826100079 17531943 C1CC(OC1)CNC(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F 1 3.544 1 3 -1.77029894642747 17531812 CC1CCCN(C1)C(=O)C2=CC3=CC=CC=C3C=C2O 1 3.146 1 2 -2.31488769946908 17531483 C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NNC(=O)C4=CC=NC=C4 1 1.6 3 2 0 -6.33820199898751 17531365 CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)N(C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 3.101 6 3 0 -16.6511558789098 17531356 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4 1 1.927 3 4 0 -22.4407133931641 17531225 C1CN(CCN1C(=O)C2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4Br 1 4.551 2 3 -16.9788198689115 17531182 CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N(C)C)C 1 3.537 3 4 0 -8.91991698327144 17530478 CC1CCC2=C(C1)C=C(S2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F 1 3.674 2 2 -6.78470128925023 17530270 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 2.255 3 4 0 -12.164308855181 17529295 CC(CCC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.571 2 3 -17.2456538148255 17529206 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4 1 4.259 4 2 2.84647159320155 17528376 CC1=CC=C(C=C1)C(=O)CCC(=O)N(C)CC(=O)NC2=CC=CC=C2Br 1 3.07 2 3 -12.9429145422164 17528292 CN(CC1=CC(=CC=C1)F)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 2.493 3 2 -9.59488685800539 17528004 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.339 4 3 0 -24.5571263541653 17527404 COC1=C(C=C(C=C1)CC(=O)NC2CCSC3=CC=CC=C23)OC 1 3.075 1 3 -14.1337689596404 17527000 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F 1 2.458 3 3 -11.1228582714224 17525239 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CN=CC=C3 1 0.608 3 4 0 -20.0268785916713 17525008 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 1.364 3 3 0 -15.0983441707471 17524962 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CNC4=CC=CC=C43 1 2.809 3 4 0 -22.7700067758896 17524613 CC1=CC=C(O1)C(=O)NC2=CC=CC=C2N3CCCCC3 1 3.234 2 2 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CC1=C(C=C(C=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3)C 1 2.756 3 3 -13.816712958422 17473623 C1CCC(CC1)(CNC(=O)CSC2=CC=CC=C2)N3CCOCC3 1 2.972 2 2 -12.6029191463285 17472910 C1=CC(=CN=C1)C(=O)NCCC2=C(C=C(C=C2)Cl)Cl 1 3.121 2 1 -7.74241897090649 17472598 CN(CC1=CC=C(C=C1)SC)C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3 1 2.197 2 4 -12.0883047453445 17472432 CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.285 2 5 0 -24.2710287219555 17472229 CCC1=NOC(=C1C(=O)NC2=NC(=CS2)C3=C(C=C(C=C3)OC)OC)C 1 3.075 3 4 0 -11.7485873059794 17469833 CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NC4=CC=CC=C4OC 1 2.623 3 3 -19.3163809945507 17468290 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)SC 1 2.26 2 3 -9.73859669334178 17467068 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=NC=C2)OCC 1 1.188 3 4 0 -17.3318282053781 17465773 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC(C3)C(F)(F)F)Cl 1 2.874 2 3 -16.8321696007926 17465768 CC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C(F)(F)F)S(=O)(=O)N3CCCCC3 1 3.152 2 3 -17.6209437296067 17465292 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17462128 CC1=CC(=C(C=C1)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3 1 2.595 2 4 -11.2436236956656 17461622 CC1CC(CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C)C 1 4.333 2 3 -15.2205004654839 17461489 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC3=CC=CC=N3 1 3.832 2 2 8.56821695634516 17461170 CC1=C(C=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 3.036 2 4 -5.94375702252765 17460715 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC(C3=CC=CO3)N4CCCC4)F 1 3.717 3 4 0 -14.5275175343607 17460304 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC4=C3C=CC=N4 1 1.796 4 3 0 -9.15237556984014 17460004 CCCC(C1=CC=CC=C1)C(=O)NC2=CC=NC=C2 1 2.873 2 1 -10.000068406347 17459956 COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl)N4CCOCC4 1 4.329 2 4 -8.09499107484333 17459913 C1CC(OC1)CNC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl 1 3.266 1 3 -4.96363428054068 17459514 C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl 1 4.248 3 1 -3.4083497213194 17459231 CC1=CN=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.067 3 3 -20.4317681080447 17459230 CC1=C(N=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.067 3 3 -18.4240479447995 17459228 CC1=C(OC2=C1C=CC=C2Cl)C(=O)NC3=CC=CC=N3 1 3.748 2 2 7.68175984510681 17456378 C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)F 1 2.763 4 2 -0.40475914372259 17454600 COC1=CC=CC=C1C(=O)NCC(=O)NCC2(CCCCC2)N3CCCCC3 1 2.851 3 3 -17.1978171309333 17454498 CCC1(C(=O)N(C(=O)N1)CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 1 2.623 2 5 0 -8.4413134251243 17454425 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC(=O)C3=NC=CN=C3N)C)C 1 1.846 4 3 0 -0.70021751582113 17453519 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=CC=CC=C3 1 2.354 3 3 -9.60946443981896 17453471 CC1=CC(=CC=C1)NC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 3.485 3 2 -18.4123585228286 17453466 CC1=C(SC=C1)C(=O)NCCC2=CNC3=CC=CC=C32 1 3.675 2 1 -11.5570151655338 17450289 C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C3=CN=CC=C3 1 -0.624 5 3 0 -8.94230593288304 17449866 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)N3C=CC=C3 1 3.728 3 2 -10.7554598643698 17449860 CC1=CSC(=N1)SCC(=O)NC2=C3C(=C(O2)C)C(=NNC3=O)C 1 0.665 4 3 0 -19.8671852459255 17449652 CC1=CC=C(S1)C(=O)NNC(=O)C2=CSC(=N2)N3CCOCC3 1 0.626 4 3 0 -7.48338182877768 17448916 C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)N 1 3.583 2 1 -7.65667034314844 17447837 CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCCC(C3)C(F)(F)F 1 2.464 2 2 -12.3149234061894 17447809 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC3 1 1.908 2 3 0 -15.9097302309447 17447015 COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3 1 2.66 2 4 -9.86608061817623 17447013 CC(C)(CNC(=O)C1=CC2=C(S1)CCCC2)N3CCOCC3 1 2.783 2 2 -13.3565620229078 17446953 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 2.957 2 4 -12.2652526559235 17446758 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCC3 1 2.466 2 4 -16.0005041289796 17444257 CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)C 1 3.187 4 1 2.05805044245737 17443702 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 3.373 3 3 -10.1372190876983 17443379 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=COCCO3 1 1.32 2 4 0 -3.45157180173712 17443218 CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(OC(=N2)C3=CC=CC=C3)C 1 3.211 2 4 -5.48615795681299 17442451 CC1CC1C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3 1 1.25 2 4 0 -17.0504154262506 17442324 CCOC1=C(C=CC=N1)C(=O)NCC(C2=CC=CC=C2)N(C)C 1 2.509 3 2 -11.3554252502933 17442108 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=COCCO2)N 1 0.103 4 5 0 -11.6608795121917 17441271 COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC2CCCC3=CC=CC=C23 1 2.326 2 4 -13.3301533551312 17440731 C1COC2=CC=CC=C2C13C(=O)N(C(=O)N3)CC(=O)C4=CC(=C(C=C4)F)F 1 2.258 2 4 -4.14373817609365 17440506 C1CCN(C1)C(CNC(=O)CCNC(=O)C2=CC=CC=C2Cl)C3=CC=CO3 1 2.51 3 3 -22.8074445609893 17439830 CC1CCCCC1NC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 3.6 3 2 -26.7802770177307 17438740 CN(C)C(CNC(=O)C1CC1)C2=CC=C(C=C2)OC 1 1.866 2 2 0 -7.84015980022148 17437107 CC(C(=O)NCC1CCCO1)SC2=NN=C(N2C)C3=CC=NC=C3 1 1.16 5 2 0 -14.2086599786954 17436192 C1=CC(=CC=C1CCNC(=O)CCCOC2=CC=C(C=C2)Br)OC(F)F 1 4.901 1 3 -8.99276516986353 17435491 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 2.166 4 4 0 -17.0334220524108 17434871 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2=CNC(=O)C=C2 1 0.303 3 3 0 -12.8539311079047 17452729 CCC1=NOC(=C1C(=O)NC2=CC=CC=C2N3CCOCC3)C 1 2.013 3 3 -15.4925354352674 17452318 C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C3=CC=C(S3)Cl 1 0.939 4 3 0 -3.43860277344179 17452193 CC1=C(OC2=CC=CC=C12)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC 1 4.197 1 4 0.900595921488925 17433026 CC(C)C1=CC=C(C=C1)NC(=O)C2CSC3(N2C(=O)CC3)C 1 2.113 2 2 -5.64393789208154 17431288 CN(CC(=O)NCC1=CC=CS1)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 1.956 3 2 0 -13.9643433410029 17429919 CCOC1=CC=C(C=C1)OCC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.42 4 5 0 -8.49468793364428 17429903 CC1=C(C=C(C=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3)F 1 1.702 3 4 0 -14.1380420534094 17429563 CCC1=NOC(=C1C(=O)NC2=NC(=C(S2)C)C3=CC=C(C=C3)F)C 1 3.458 3 2 -12.7472305540552 17428751 CC(C(=O)NC(=O)NC1CCCCC1)N(C)CC(=O)NC2=CC=C(C=C2)OC 1 2.122 4 4 0 -12.7010393799568 17428499 COC1=CC=CC=C1CNC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.482 2 3 -10.3389882502427 17428490 CC(C(=O)N1CCOCC1)SC2=NN=C(O2)C3=CC=CC=C3Br 1 2.398 3 3 -12.5200161200973 17428332 CC1=C(SC2=C1C(=NC=N2)SCC(=O)N3CCCC(C3)C(=O)N)C 1 1.699 4 2 0 -12.7905571675787 17427318 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3 1 3.202 5 3 0 -5.86019989283806 17427107 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CSC4=NC=CN4C 1 3.219 4 2 -13.2149365477313 17427028 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCC(CC3)O 1 2.13 2 5 0 -10.3009386252547 17426808 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 2.621 4 3 0 -9.64797896330167 17426455 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=NNC3=CC=CC=C32 1 2.712 4 2 -17.2175745422233 17426324 C1COC2=CC=CC=C2C13C(=O)N(C(=O)N3)CC(=O)C4=CC=C(C=C4)Cl 1 2.512 2 4 -3.34659575071118 17426117 C1COC2=CC=CC=C2C13C(=O)N(C(=O)N3)CC(=O)C4=CC=C(C=C4)Br 1 2.596 2 4 -4.80325549581262 17425275 CC1=NC(=CC=C1)NC(=O)C(C)SCC2=NC3=C(C(=C(S3)C)C)C(=O)N2 1 2.52 4 2 -12.4055434091907 17425032 C1=CC2=C(C=C1NC(=O)COC3=C(C=CC(=C3)Cl)Cl)NC(=O)N2 1 2.641 3 3 -12.9901364484659 17424593 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2(CCCCC2)N3CCCCC3 1 3.151 3 4 0 -18.7794531488714 17422864 CC12CCC(=O)N1C(CS2)C(=O)NC3=C(C=C(C=C3)Br)Cl 1 2.332 2 2 -3.11225038038299 17422283 CC(C)(C)C1CCC(CC1)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 4.538 1 3 -16.4462856345217 17421534 C1CN(CC2=CC=CC=C21)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.704 3 3 -10.9146094487708 17420314 CC1=CC=CC(=C1O)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3 1 2.953 0 6 -8.43045819336067 17420267 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)CC2=CC3=C(CCC3)C=C2 1 3.62 2 3 -10.0374291420664 17420157 CCOC(=O)C1=CC=CC=C1NC(=O)C2CSC3(N2C(=O)CC3)C 1 1.123 2 4 0 -12.8523379578585 17419512 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)NC3=CC=CC=N3 1 2.452 3 3 -11.7722811455181 17418839 COC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3CCCC3)C4=CC=C(C=C4)OC 1 2.74 3 5 0 -9.02069299265903 17417569 CCC1=NOC(=C1C(=O)NC2=NC(=CS2)C3=CC=CC=C3)C 1 3.107 3 2 -9.20217534041601 17417565 CCC1=NOC(=C1C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC)C 1 3.091 3 3 -9.14062513324495 17417564 CCC1=NOC(=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)F)C 1 2.994 3 2 -10.2410657820529 17417560 CCC1=NOC(=C1C(=O)NC2=NN=C(S2)SCC=C)C 1 2.338 4 2 -25.4166527108164 17417192 C1=CC=C2C(=C1)NC(=N2)CNC(=O)CNC(=O)C3=CC=CO3 1 0.785 4 3 0 -13.0331312548586 17417004 CC(=O)C1=CC(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3 1 2.396 4 3 0 -11.7771359702612 17416122 CN1C=C(C=C1C(=O)NC2=C(C=CC(=C2)OC)OC)S(=O)(=O)N3CCCC3 1 1.75 3 5 0 -16.1397987745185 17416118 CC1=CC(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3 1 2.269 3 3 -11.6811525904527 17416116 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3 1 1.342 3 5 0 -16.9208008360302 17415857 CCN(CC1=CC=CC=C1)C(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3 1 1.572 3 4 0 -20.1387078123358 17415818 C1CN(CCN1C2=CC=CC=C2F)C(=O)CCNC(=O)C3=CC=CO3 1 1.782 3 3 0 -8.16607670897904 17414698 CC(C1=CC=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3 1 1.394 3 4 0 -19.2505316816579 17414522 CN(C)C(=O)CN1C(=O)C2(CCC3=CC=CC=C32)NC1=O 1 0.524 3 3 0 -5.72615074261488 17414264 C1COCCN1C2=CC=CC=C2NC(=O)C3=COCCO3 1 0.378 2 4 0 -7.32163016835228 17414087 C1=CC=C(C(=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC(F)F 1 2.857 5 4 0 -13.9083856369599 17413839 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NC3=CC=NC=C3 1 1.045 3 2 0 -14.9579240614055 17413594 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=C(C=CS2)C 1 3.292 2 2 -13.4126161424128 17413162 CC1=CC=C(C=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3 1 2.269 3 3 -13.4289602395602 17410734 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=C(C=C4)OC 1 0.789 5 5 0 -17.187944941999 17410367 C1CN(CCN1C(=O)CCNC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3Cl 1 1.708 4 4 0 -24.6886145210581 17410315 CC1=CC(=NC=C1)NC(=O)CNC(=O)C2=CC=CS2 1 1.502 3 2 0 -11.2101105066259 17410313 CC1=NC(=CC=C1)NC(=O)CNC(=O)C2=CC=CS2 1 1.299 3 2 0 -11.7413983855586 17409968 COC1=CC=CC=C1C(=O)NCCC(=O)NC2=NC3=CC=CC=C3N2 1 1.963 4 3 0 -12.4398470264255 17409936 CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.195 2 4 -16.7941511388432 17409439 CC1=CN=C(C=C1)NC(=O)CNC(=O)C2=CC=CS2 1 1.502 3 2 0 -14.3111943979875 17409079 C1COC2=CC=CC=C2C13C(=O)N(C(=O)N3)CC(=O)C4=CC=C(C=C4)F 1 2.053 2 4 -4.45671741583275 17408726 CC1=CN=C(C=C1)NC(=O)C2=C(N=CC=C2)SC 1 2.419 3 1 -11.6088099909552 17407936 CC1CC(CN(C1)C(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)C 1 3.093 2 2 -16.2139055365702 17406798 C1CN(CCN1C(=O)C2=CC(=NN2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 2.51 4 3 0 -16.4389581037494 17405892 CC1=CC(=NC=C1)NC(=O)CCC2=CNC3=CC=CC=C32 1 3.273 3 1 -8.55140622891503 17405609 CC12CCC(=O)N1C(CS2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl 1 2.209 3 2 -1.75705764406472 17405608 CC12CCC(=O)N1C(CS2)C(=O)NNC(=O)C3=CC(=CC=C3)Cl 1 0.84 3 3 0 -5.95449107022464 17404815 C1CC(OC1)CNC(=O)C2=CC(=C(S2)Br)Br 1 2.666 1 2 -12.4057421957494 17404624 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC=NC=C3 1 2.835 3 3 -14.4281090639655 17403008 CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=CO2 1 3.851 1 4 -9.83595705732094 17402424 CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=COCCO2 1 -1.e-003 2 4 0 -8.32995174367218 17401617 C1=CC=C(C=C1)SCCCNC(=O)C2=CNC(=O)C=C2 1 1.097 2 2 0 -12.7591558131238 17400914 CCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=CC=C2CC3=CC=CC=C3 1 3.598 1 3 -13.8112012244325 17400710 C1CCCN(CC1)C(=O)NC2=C(C=C(C=C2)F)F 1 2.936 2 1 -4.86687082587328 17400501 CC1=C(SC=C1)C(=O)NNC(=O)C2=CSC(=N2)N3CCOCC3 1 0.966 4 3 0 -8.8587206851215 17400500 COC1=CC=CC=C1C(=O)NNC(=O)C2=CSC(=N2)N3CCOCC3 1 0.51 4 4 0 -9.86262198014867 17400499 C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C3=CC=CC=C3Cl 1 1.191 4 3 0 -8.34138971327577 17400262 C1CN(CCN1)C(=O)NCC2=CC=CC=C2.Cl Cl- 1 0.58 3 1 0 -12.5906584200147 17399934 CC1=C(NC(=C1C(=O)OC)C)C(=O)OC(C)C(=O)N2CCOCC2 1 0.995 2 6 0 -17.5315795168471 17399871 CC1=CN=C(C=C1)NC(=O)CNC(=O)C2=CC=C(O2)Br 1 1.512 3 3 0 -14.0673877436744 17399366 CCOC(=O)C1CCN(CC1)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C 1 2.141 2 5 0 -12.5763294785967 17399202 CC(C(=O)N1CCOCC1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F 1 2.86 1 4 -11.8911341839548 17398754 CC1=C(SC=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.435 4 1 0 -5.21771810684693 17398524 CC1=CC(=NC=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.366 3 2 -4.31984586385112 17398405 CN1C=C(C=C1C(=O)NC2=CC=CC=C2OC)S(=O)(=O)N3CCCC3 1 1.767 3 4 0 -16.870365192338 17397707 CC1=NC(=CC=C1)NC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3 1 1.113 3 4 0 -12.5674637537663 17397583 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2CCSC3=CC=CC=C23 1 2.829 2 2 -10.6175694044582 17397452 CC(C(=O)NCC1CCCO1)SC2=NNC(=N2)C3=CC=C(C=C3)OC 1 2.464 4 3 0 -9.96816848316531 17397380 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=N3 1 3.407 2 2 -5.34397824846329 17396737 CC1=CN=C(C=C1)NC(=O)CCC2=CNC3=CC=CC=C32 1 3.273 3 1 -11.6524901202766 17412850 CC12CCC(=O)N1C(CS2)C(=O)NCC3=C(C=C(C=C3)Cl)Cl 1 2.254 2 2 -7.898048082201 17395946 CC1=C(N=CC=C1)NC(=O)CNC(=O)COC2=CC=CC=C2 1 1.384 3 3 0 -10.2196537724723 17395891 CC1CC1C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C 1 2.145 2 3 -14.8229789300022 17395720 CC(C(=O)NCC1=CC=CC=C1)SC2=NC=NN2 1 1.801 4 1 0 -13.7562734888181 17395519 CC1=C(N=CC=C1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.546 3 4 0 -6.74641992635467 17395515 C1COC(=CO1)C(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)F)F 1 1.883 2 3 0 -1.49138151942064 17394922 CC1=C(N=CC=C1)NC(=O)C2=CC3=C(C=C2)OCCO3 1 2.275 2 3 -7.65223327843378 17411879 CC1=CC=CC=C1NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3 1 1.496 3 4 0 -18.2159944563928 17411863 COC1=CC(=C(C=C1C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)OC)OC 1 2.772 4 4 0 -12.4511137195839 17394683 CC1=CN=C(C=C1)NC(=O)C2=CC(=CN=C2)Br 1 2.087 3 1 -5.73511751282371 17394593 CC1=CN=C(C=C1)NC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3 1 1.317 3 4 0 -15.23465399272 17410999 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=CC=C3NCCO 1 2.249 2 4 -12.6542212472448 17393643 C1=CC2=NC(=CN2C=C1)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)F 1 1.254 4 2 0 -13.7180242131761 17393608 CSCCC(C(=O)NCCC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32 1 2.396 3 3 -19.172534422439 17393542 C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)COC3=CC(=CC=C3)Cl 1 3.336 3 2 2.0211390219483 17393501 CC1=CC(=NC=C1)NC(=O)CCCC2=CNC3=CC=CC=C32 1 3.73 3 1 -8.06097449895728 17393209 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4 1 3.474 3 3 -14.4082010675797 17393220 CN(C)C(CNC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC 1 3.26 3 4 0 -8.04435534268401 17393184 CC(C(=O)NC1=CC(=CC=C1)OC)SC2=NN=C(N2C3CC3)C4CC4 1 3.095 4 2 -13.3418909198872 17392694 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC(OC(C3)C)C 1 3.1 1 4 4.25465427134956e-002 17392545 C1C2CC3CC1CC(C2)(C3)NC(=O)CNC(=O)C4=CC=C(O4)Br 1 2.204 2 3 -13.5439029679738 17390754 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC=C(S2)C 1 1.433 2 5 0 -18.1677216442824 17390529 CN(C)C(CNC1=NC=C(C=C1)C(F)(F)F)C2=CC(=C(C=C2)OC)OC 1 3.215 3 2 -1.46827322922124 17390528 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC2=C3C=CC(=CC3=NC=C2)Cl 1 3.155 3 2 -3.92501677910948 17390418 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=NCCS2 1 2.811 3 2 -16.4468031337573 17390402 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=O)NC4=CC=CC=C43 1 0.785 3 6 0 -27.7932378985207 17388694 C1=CC(=CC(=C1)[N+](=O)[O-])C(C(C(=O)[O-])NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])O.[Na+] Na+ 1 7.7e-002 3 8 0 -14.0250406951594 17388170 CC1=CC=C(C=C1)S(=O)(=O)N2C3CC(C2(C(=O)OC)C(F)(F)F)C=C3 1 2.79 1 4 -5.69924470281647 17388168 CC1=CC=C(C=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)C 1 3.553 3 4 0 -4.8771877222244 17386732 C1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)Br.Cl Cl- 1 2.87 2 1 -1.96583579770588 17386544 C1=CC=C(C=C1)CNCC2=CC=CO2.Cl Cl- 1 2.132 1 1 -0.212822962998549 17385935 CCOC(=O)C(CSC1CC(=O)N(C1=O)C2=CC=C(C=C2)OC)N.Cl Cl- 1 0.837 2 5 0 -11.163285503426 17385934 C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl)SCCN.Cl Cl- 1 1.99 2 2 0 -2.21960999824469 17385754 CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCN.Cl Cl- 1 2.886 2 3 -4.86673127093426 17385751 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(C(=O)OCC)N.Cl Cl- 1 1.185 2 5 0 -11.5603057328122 17385460 C1=CC(=C(C=C1C(=O)NC2=NC=NN2)Cl)Cl 1 2.245 4 1 -6.01772293100981 17385245 C1=CC=C2C=[N+](C=CC2=C1)CC3=C(C=CC=C3Cl)Cl.[Br-] Br- 1 5.255 1 0 5.8562649921393 17384183 C1CCC(CC1)N2CCC(C2)NC(=O)NC3=CC(=CC=C3)Cl.Cl Cl- 1 3.517 3 1 -4.76009258219006e-002 17383728 CC1=C(C=C(C=C1)C(C)NC(=S)NCC2=CC=C(C=C2)F)C 1 5.38 2 0 -6.09950061345125 17383719 C1=CC(=CC=C1NC(=O)NC2=NOC=C2)Cl 1 2.18 3 2 -1.79171939064813 17383652 C1=CC=NC(=C1)CNC(=O)NC2=C(C=C(C=C2)Br)Cl 1 3.007 3 1 -5.64781747409896 17383407 C1=CC(=C(C=C1F)F)NC(=O)NC2=NOC=C2 1 1.927 3 2 0 -4.43088926800622 17383406 CC1=CC(=CS1)C(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C 1 2.802 2 3 -8.2087613261778 17383082 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)C3=CN=CC=C3 1 0.891 6 1 0 -14.228002372446 17382934 C1=CC=C(C(=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)N)F 1 2.039 4 4 0 -2.39691013744808 17382933 C1=CC(=CC=C1N)S(=O)(=O)NC2(C(=O)N(C(=O)N2)C3=CC=C(C=C3)F)C(F)(F)F 1 2.039 4 4 0 -2.91975754825318 17382445 CCNC(=O)CC1C(=O)N(C(=O)N1CCC(C)C)C2=CC=CC(=C2)C 1 2.687 3 3 -19.498919738433 17382351 COCCCN1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)OC 1 1.968 3 5 0 -16.0478687725744 17381921 C1CC(=O)N(C1)CCCNC(=O)C2C3CC(C2C(=O)O)C=C3 1 -0.368 2 4 0 -22.3231292509593 17381913 CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C)Cl 1 3.206 3 2 -22.0915647715235 17381636 COC1=C(C=C(C=C1)NC(=O)NC2=NC=CN=C2)OC 1 0.727 4 3 0 -8.70878579540927 17381556 CC1=C(C(=CC=C1)NC(=O)N2CCCCCC2)C 1 3.498 2 1 -4.170679192125 17381259 C1CN(CCN1CC2=C(C=C(C=C2)Cl)Cl)CC(=O)NC3=CC=CC=C3C(=O)N 1 2.828 4 2 -3.07545315070965 17380867 COC1=CC(=C(C=C1)NC(=O)NC2=C(SC=C2)C(=O)OC)OC 1 2.298 2 5 0 -12.1518282682889 17380652 COC1=CC(=C(C=C1)NC(=O)NC2=NC=CN=C2)OC 1 0.727 4 3 0 -9.07458417548645 17380484 COC1=CC(=C(C=C1)C(=O)O/N=C(/C2=CC(=C(C=C2)OC)OC)\N)OC 1 2.321 2 6 0 -1.44514362933562 17380359 CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C 1 1.795 3 3 0 -25.5561733109085 17380205 CCN(CC)C(=O)CN1C2=CC=CC=C2C3(C1=O)OCC(CO3)(C)C 1 1.603 2 4 0 -16.4502595079761 17380144 CC1=CC=C(C=C1)C(=O)NCN2CCN(CC2)C3=CC=C(C=C3)F 1 3.48 3 1 -0.975807318883588 17380042 CC1(COC2(C3=CC=CC=C3NC2=O)OC1)CO 1 0.343 1 4 0 -6.9278990117333 17379716 C1=CC(=CC(=C1)NC(=O)NC2=CC=NC=C2)C(F)(F)F 1 2.314 3 1 1.5374921093492 17379694 COC1=CC=CC(=C1)NC(=O)NC2=CC3=C(C=C2)OCO3 1 2.274 2 4 -5.48098988741223 17379650 CC(C1=CC=CC=C1)NC(=O)CN2CCCC2 1 1.801 2 1 0 -8.9264698232283 17379611 C1CCCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)N 1 1.332 3 2 0 -7.95241168949637 17379494 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3OC 1 1.703 3 5 0 -21.9287661733393 17379490 C1CN(CCC1NC(=S)NC2=CC=C(C=C2)Br)CC3=CC=CC=C3 1 4.955 3 0 -2.7698851940532 17379032 C1CC(=O)N(C1)CCCNC(=O)C2CC=CCC2C(=O)O 1 -4.4e-002 2 4 0 -22.8560170182552 17379031 CC1=C(CC(C(C1)C(=O)NCCCN2CCCC2=O)C(=O)O)C 1 0.849 2 4 0 -21.9003206858469 17379030 C1CCC(C(C1)C(=O)NCCCN2CCCC2=O)C(=O)O 1 0.4 2 4 0 -22.6015538459184 17378931 COC1=CC(=C(C=C1)OC)NC(=O)NC2=CC3=C(C=C2)OCO3 1 2.258 2 5 0 -9.06094000703183 17378909 COC1=C(C=C(C=C1)NC(=S)N2CCC3=CC=CC=C32)OC 1 4.762 2 2 -16.1530298223307 17378908 CC1=C(C=C(C=C1)C(=O)O)NC(=S)NCCC2=CC=CC=C2 1 4.533 2 2 -12.5594335558873 17378581 C1=CC(=CC=C1NC(=O)NC2=NC=CN=C2)Br 1 1.509 4 1 0 -3.01332810089096 17378576 CCC1=NN=C(S1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)F 1 2.104 5 1 -8.10372104880532 17378096 CC1=C(SC(=N1)NC(=O)CSC2=NC3=CC=CC=C3S2)C(=O)N(C)C 1 2.618 4 2 -14.893773630094 17377878 C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 0.702 2 4 0 -28.3857715482524 17376906 CC(C)(C)OC(=O)NNC(=C1C=CC(=O)C=C1)C2=CC=C(C=C2)O 1 2.423 2 4 -3.54849726024386 17376897 CCCN1CCC(CC1)NC(=O)C2CCCCC2C(=O)O 1 -1.367 2 3 0 -4.81168727007948 17376731 C1=CN=CC=C1C(=O)NC2=C(C=NC=C2)Cl 1 0.977 3 1 0 -4.65517489090358 17376649 CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=NC(=C(S3)C(=O)N(C)C)C 1 1.903 5 3 0 -10.4235888626169 17376612 COC1=C(C=C(C=C1)S(=O)(=O)N2C=CC=C2)OC 1 2.248 1 4 -10.0463815580928 17376577 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CO3)C 1 2.642 2 3 -11.5196805882704 17376575 CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CO3 1 2.612 2 3 -12.9603860942766 17376168 CS(=O)(=O)N1CCN(CC1)CC(=O)NC2CCCC2 1 -0.211 3 3 0 -19.391571663117 17376148 CS(=O)(=O)N1CCN(CC1)CC2=CC(=O)N3C=CSC3=N2 1 -0.808 4 3 0 -22.4745842655537 17376136 CCC1=NN=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C 1 -0.635 5 3 0 -25.1072034152885 17376128 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3CC3 1 0.437 3 4 0 -21.7263957493469 17376005 COC1=CC=CC(=C1)NC(=O)NC2=C(SC=C2)C(=O)OC 1 2.315 2 4 -7.88323604670845 17376004 COC1=CC=CC=C1NC(=O)NC2=C(SC=C2)C(=O)OC 1 2.315 2 4 -11.1148647116631 17375923 C1=CON=C1NS(=O)(=O)C2=CC=C(S2)Br 1 1.665 2 3 0 -3.03117095121096 17375853 C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=C(C=CC(=C3)F)F 1 1.109 4 2 0 -9.12519167592105 17375783 CC(C)C1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)OCO3 1 3.485 2 3 -7.13464564675041 17375775 CC(C)(C)C1=CC(=NO1)NS(=O)(=O)C2=CC=C(S2)Br 1 3.357 2 3 -7.22827777630343 17375607 COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.33 3 3 -22.7515379564075 17375606 COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 3.666 3 3 -25.4695462862305 17375605 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=C(C=C3)OC 1 4.152 3 3 -24.5735366469944 17375380 CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C(=O)N 1 0.129 6 4 0 -12.9161459207549 17375264 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC(=C3)OC)OC 1 4.085 3 4 0 -27.293625644957 17375015 CC1=C(C=CC(=C1)F)NC(=O)NC2=CC3=C(C=C2)OCO3 1 2.982 2 3 -8.11608262227742 17374782 CCOC1=CC=C(C=C1)NC(=O)NNC(=O)C2=C(C3=CC=CC=C3C=C2)O 1 2.778 3 4 0 -3.88864405736144 17374781 COC1=CC=CC(=C1)NC(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2 1 2.507 3 4 0 -5.12018492317194 17374672 C1CCC(=NNC(=O)C2=C(C=C(C=C2)O)O)C1 1 1.468 2 3 0 -2.23543723908253 17374640 CC(C1=CC(=C(C=C1)OC)OC)NC(=S)NC2CCCCC2 1 4.444 2 2 -11.9374412785167 17374626 CC(C)(C(=O)NC1=NOC=C1)OC2=C(C=C(C=C2)Br)Cl 1 3.651 2 3 -1.84138119673251 17374586 CCC(C(=O)N1CCC2(CC1)OCCO2)OC3=C(C=CC(=C3)Cl)Cl 1 3.48 1 4 -10.8741189158937 17374560 C1=CC=C(C(=C1)CNC(=S)NCC2=CC=C(C=C2)Cl)F 1 4.694 2 0 -5.78603315356789 17374539 C1=CC=C(C(=C1)C2=CSC(=N2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-])Cl 1 5.397 4 2 -2.13103236865657 17374466 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC2=NC(=CS2)C3=C(C=C(C=C3)Cl)Cl 1 6.061 4 2 -0.137530245050397 17374439 C1CCC(=NNC(=O)C2=C(C=CC(=C2)Br)O)C1 1 2.458 2 2 -1.34154412810664 17374362 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NN2C=NN=C2 1 1.513 6 3 0 -11.4309998199529 17373616 CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=N 1 3.832 2 2 -8.47779724718749 17373574 C1CCCC(CC1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=N 1 4.185 2 2 -6.52375623958045 17373418 C1CCCC(CC1)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=N 1 4.101 2 2 -3.57815814941229 17373339 CC(C)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=NC=C2)/C#N 1 2.965 3 1 -11.037250820707 17373337 CC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=NC=C2)/C#N 1 1.51 3 2 0 -15.0353930481553 17373323 C1CC1NC(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)N)/C#N 1 0.672 3 3 0 -16.5703282386386 17373297 COC1=CC=CC=C1NC(=O)/C(=C/C2=CC=NC=C2)/C#N 1 1.754 3 2 0 -14.6257691900607 17372642 C1=CC=C(C(=C1)NC(=O)/C(=C/C2=CC=CN2)/C#N)[N+](=O)[O-] 1 2.201 4 3 0 -12.2051041589829 17371949 C1=CC=C(C=C1)CCC(=O)NNC(=S)NCC2=CC=C(C=C2)Cl 1 4.158 3 1 -11.522255182438 17371091 C1CC(OC1)CNCC2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 3.055 1 1 0.606865289745771 17370366 COC1=CC(=C(C=C1)OC)S(=O)(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 1.354 3 4 0 -4.16123647631128 17370039 COC1=C(C=C(C=C1)C(=O)NCN2CCN(CC2)C3=CC=CC=C3)OC 1 2.755 3 3 -6.91995788909748 17369996 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)SCCN.Cl Cl- 1 0.867 2 2 0 -2.87588312702918 17369943 C[C@]12CCC3C(C1CC[C@@H]2O)CCC4[C@@]3(CC(=O)C4)C 1 2.845 0 2 -10.4559140491312 17369208 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(C(=O)OCC)N.Cl Cl- 1 1.709 2 5 0 -11.2562205679136 17368185 CCCCNC(=S)N1CCC(CC1)CC2=CC=CC=C2 1 5.179 2 0 -9.86335022589675 17358747 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC 1 0.995 4 6 0 -7.64970500648495 17333109 C1=CC=NC(=C1)CNCC2=CC=C(O2)C3=CC(=C(C=C3)F)Cl.Cl Cl- 1 3.877 2 1 8.94242716346415 17333041 COC1=C(C=C(C=C1)C2=CC=C(O2)CNCC3=CC=CC=N3)Cl.Cl Cl- 1 3.655 2 2 6.20914941459755 17332688 CN1C=CC=C1CNCC2=CC=C(C=C2)OC.Cl Cl- 1 2.312 2 1 -0.493655619030597 17332195 C1=CC=NC(=C1)CNCC2=CC=C(O2)C3=CC(=CC=C3)Cl.Cl Cl- 1 3.671 2 1 10.8133477436646 17325415 CCC1=NC2=C(N1)C=C(C=C2)CC3=CC4=C(C=C3)N=C(N4)CC 1 4.69 4 0 -0.111880008595897 17324432 COC1=CC=C(C=C1)NC2=CC(=NC=N2)NC3=CC=C(C=C3)OC 1 3.559 4 2 2.60726562966769 17324406 CN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)Br)N(C1=O)C 1 2.637 3 2 -11.7545284846541 17310920 C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)O 1 4.025 1 4 2.05675631721213 17310552 CCCSC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.934 2 3 -10.7869850190907 17308829 CC(C)C(C(=O)NCCCN1C=CN=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 2.013 5 3 0 -23.6410305208157 17300478 COC1=C(C=C(C=C1)NC(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2)OC 1 2.49 3 5 0 -10.2060136678703 17299490 C1CC(=O)N(C1)CCCNC(=O)NC2=C(C=C(C=C2)Br)Cl 1 2.075 3 2 -19.154484531699 17298735 CC1=CC(=C(C=C1)C)NC(=O)NNC(=O)C2=C(C3=CC=CC=C3C=C2)O 1 3.418 3 3 -5.6153352051334 17298733 CC1=CC(=C(C=C1)NC(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2O)C 1 3.418 3 3 -4.920576391369 17298730 CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCO3 1 1.202 3 5 0 -12.4207453770861 17298585 C1=CC=C(C(=C1)NC(=O)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])F 1 1.714 4 5 0 -11.8301085807786 17297684 COC1=C(C=C(C=C1)Cl)NC(=S)NCCC2=CC=C(C=C2)F 1 5.27 2 1 -6.10899353131007 17295952 CC1=CC=C(S1)CNC2CCCCC2.Cl Cl- 1 3.111 1 0 4.65874014857631 17295849 C1CC1NCC2=CC=C(C=C2)C3=CC=CC=C3.Cl Cl- 1 3.375 1 0 5.80336031085264 17295162 C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)CNCC3=CC=C(C=C3)C(=O)O.Cl Cl- 1 1.648 1 3 0 -0.762283980820787 17294861 COC1=C(C=CC(=C1)CNCC2=CC=C(C=C2)C(=O)O)OCC3=CC=C(C=C3)F.Cl Cl- 1 1.632 1 4 0 -5.15737937209936 17293431 CC(C12CC3CC(C1)CC(C3)C2)NCC4=C(C(=C(C=C4)OC)OC)OC.Cl Cl- 1 4.17 1 3 -0.458722874629356 17293427 CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC(=C(C(=C4)OC)OC)OC.Cl Cl- 1 4.17 1 3 -3.19596849550395 17293376 CN1C=CC=C1CNCCC2=CC=C(C=C2)OC.Cl Cl- 1 2.633 2 1 -0.562066791677933 17292739 C1=CC=C(C(=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N)OCC3=CC=C(C=C3)F.Cl Cl- 1 3.75 2 3 -3.18247849575683 17292162 COC1=C(C=C(C=C1)CCNCC2=C(C=CC3=CC=CC=C32)OC)OC.Cl Cl- 1 4.131 1 3 1.05569560385463 17290303 C=CCOC1=CC=C(C=C1)CNCC2CCCO2.Cl Cl- 1 2.326 1 2 -7.91689862618426 17285604 CCOCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)C 1 3.4 1 7 0 -19.4332472703722 17285535 CC1=C(NC2=C1C(=O)CC(C2)C3=CC(=C(C=C3)OC)OC)C(=O)OCCOC 1 3.068 1 6 0 -17.449338368691 17285533 CCOCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C 1 3.417 1 6 0 -20.2346612338715 17285441 CCOCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C 1 3.449 1 4 -14.8070744662016 17285445 CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)OC)C(=O)OCCOC 1 3.084 1 5 -11.91132117727 17284901 COC1=CC(=C(C=C1)OC)NC(=O)NC2=C(SC=C2)C(=O)OC 1 2.298 2 5 0 -10.244460389622 17284891 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCCCN2CCCC2=O 1 0.54 4 5 0 -27.1465706314587 17284649 CCOC1=CC=C(C=C1)C(C)NC(=S)NCC2=CC=C(C=C2)F 1 4.74 2 1 -7.11632003956865 17284516 CCCC1=CC=C(C=C1)C(C)NC(=S)NCC2=CC=C(C=C2)F 1 5.806 2 0 -5.19821986729088 17284462 C1CC(=O)N(C1)CCCNC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 1.991 3 2 0 -19.4270263720731 17284448 COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C 1 2.039 3 3 -22.5796814398887 17284447 COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C 1 2.039 3 3 -22.9363868345764 17284110 COC1=CC(=C(C=C1)OC)NC(=O)NC2CCCC3=CC=CC=C23 1 3.512 2 3 -7.82128415636356 17284094 CC(C1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC=CC(=C3)C(=O)C 1 2.415 2 4 -10.2411383488638 17283667 C1COC2=C(O1)C=CC(=C2)NC(=S)NC3=CC=CC=C3Cl 1 4.817 2 2 -8.16527607585165 17283549 CC1=CC(=CC=C1)NC(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2 1 3.174 3 2 -0.943099780305026 17283491 CC(C1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC=CC=C3Cl 1 3.339 2 3 -8.65691107502394 17283487 CCC(C1=CC=C(C=C1)C(C)C)NC(=S)NC2CCCCC2 1 6.194 2 0 -7.62711290379635 17283315 CC1=CC(=C(C=C1)C)C(C)NC(=S)NCC2=CC=C(C=C2)F 1 5.38 2 0 -7.71045167379766 17282505 CC1=CC(=C(C(=C1)C)NC(=O)NC2=CC3=C(C=C2)OCO3)C 1 3.749 2 3 -6.03687005640668 17282501 CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OCO3 1 2.03 2 4 -7.99569299607687 17282411 COC1=CC=CC=C1NC(=O)NC2CCCC3=CC=CC=C23 1 3.529 2 2 -8.86010147541713 17282409 CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC3=C(CCC3)C=C2 1 4.049 2 2 -9.45346022675303 17282138 CC1=CC(=CC=C1)NC(=O)NC2CCCC3=CC=CC=C23 1 4.031 2 1 -2.24248357911604 17282136 CCC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCC3)C=C2 1 4.522 2 1 -6.10225170001291 17281987 CCC(C1=CC=CC=C1)NC(=S)NC2CCCCC2 1 5 2 0 -9.70735155309297 17281495 CC1=CC(=CC(=C1)NC(=O)NC2CCCCCCC2)C 1 4.689 2 1 -6.97356147030227 17280624 C1=CC(=C(C=C1Cl)Cl)NC(=O)NN2C=NN=C2 1 1.47 5 1 0 -3.61914645374436 17279771 CC1=CC(=CC=C1)NC(=O)NC2=CC3=C(CCC3)C=C2 1 4.066 2 1 -4.19467748467494 17279681 CC1=CC(=C(C=C1)NC(=S)N2CCCCCC2)C 1 5.394 2 0 -11.821572120157 17279014 C1=CC(=CC=C1NC(=O)NC2=NC=CN=C2)[N+](=O)[O-] 1 0.655 5 3 0 -5.47306483373357 17278945 CCC1=CC=C(C=C1)NC(=O)NCC2=CC=CC=N2 1 2.536 3 1 -6.9372391498639 17278361 CC1=C(C=C(C=C1)NC(=O)NN2C=NN=C2)Cl 1 1.292 5 1 0 -3.8925713353497 17278360 CC1=C(C=CC=C1Cl)NC(=O)NN2C=NN=C2 1 1.292 5 1 0 -4.1957269990539 17278277 CC1=CC(=C(C=C1)C)NC(=O)N2CCCCCC2 1 3.498 2 1 -6.95558014772613 17278232 CC1=CC(=CC(=C1)NC(=O)NC2=NC=CN=C2)C 1 1.733 4 1 0 -3.84286496222449 17278231 CCC1=CC=C(C=C1)NC(=O)NC2=NC=CN=C2 1 1.703 4 1 0 -3.61810518215542 17276894 CCC1=CC=CC=C1NC(=O)NC2=NOC=C2 1 2.458 3 2 -6.86125857968785 17276893 CCC1=CC=C(C=C1)NC(=O)NC2=NOC=C2 1 2.458 3 2 -3.85315621701404 17276864 CC1=CC=CC=C1NC(=O)NC2=NC=CN=C2 1 1.247 4 1 0 -7.07059864729767 17271274 CC1=CC(=C2C(=C1)SC(=N2)NCC3=CC=CC=C3O)C 1 4.105 2 1 8.25440758566232 17271171 CCOC1=C(C=CC(=C1)CNCC2=CC=CC=C2)OCC3=CC=C(C=C3)Cl.Cl Cl- 1 5.515 1 2 -1.98027182931509 17269277 C1COCCN1CCOC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.436 4 5 0 -17.7867821539007 17269235 CC1=CC(=C(C=C1)NC(=O)N2CCCCCC2)C 1 3.498 2 1 -7.93927956101012 17268980 C1CCN(C1)C(=S)NC2=CC(=CC(=C2)Cl)Cl 1 4.837 2 0 -9.33788285970558 17268821 CC1=CC(=C(C=C1)C)NC(=O)NN2C=NN=C2 1 1.113 5 1 0 -7.23030769788255 17268623 CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)OCCN3CCOCC3 1 1.769 4 6 0 -22.2162347529589 17268241 CCC1=CC=CC=C1NC(=O)NC2CCCCCCC2 1 4.659 2 1 -9.75690405290701 17268060 CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=CC3=CC=CC=C32 1 5.015 2 1 -8.60838726612308 17267106 COC1=CC=CC(=C1)NC(=O)NC2CCCCCCC2 1 3.7 2 2 -6.56562436891059 17267091 C1CN(C2=CC=CC=C21)C(=S)NC3=CC(=CC=C3)F 1 5 2 0 -9.12929963419207 17266820 CCOC1=CC=CC=C1NC(=O)NC(C)C2=CC3=C(C=C2)OCO3 1 3.007 2 4 -12.9825408428854 17266253 CC1=CC(=CC(=C1)NC(=O)NN2C=NN=C2)C 1 1.113 5 1 0 -4.78862510510658 17266002 COC1=CC(=C(C=C1)OC)NC(=S)N2CCCC2 1 3.476 2 2 -11.366072934524 17265868 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NN2C=NN=C2 1 3.5e-002 6 3 0 -6.38044692370352 17264419 CC1=C(C(=CC=C1)NC(=O)NC2CCCCCCC2)C 1 4.689 2 1 -6.63034310747711 17264329 CCC(C)C1=CC=C(C=C1)C(C)NC(=S)NCC2=CC=C(C=C2)F 1 6.058 2 0 -5.92618063526649 17263656 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-0.796229196422149 17252953 COC1=C(C=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4)OC 1 3.042 2 6 0 -8.90943053213556 17252951 CSC1=CC=CC=C1NC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4 1 3.617 2 4 -8.98195096569431 17252948 CC1=C(C=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4)C 1 4.047 2 4 -3.82722659774275 17252945 CCC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4 1 4.017 2 4 -3.67891201466008 17252944 C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)C(=O)NC4=C(C=CC(=C4)Br)O 1 3.581 2 5 0 1.13833336733579 17252939 CCN(CC)CCCNC(=O)C1=NOC(=C1)C2=CC3=C(C=C2)OCO3 1 2.397 3 4 0 -8.49153674111679 17252914 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)N3CCCC3)OC 1 2.364 2 4 -6.13759477578408 17252913 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)N3CCCCCC3)OC 1 3.277 2 4 -6.49206328995216 17252912 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3CCCCC3)OC 1 3.556 2 4 -8.16849341912493 17252896 COC1=CC=CC=C1C2=CC(=NO2)C(=O)NC3=C(N=CC=C3)Cl 1 3.013 3 3 -5.60788349212207 17252862 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)N3CCOCC3 1 1.607 2 4 0 -2.64435486312781 17252860 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)NCCCN3CCOCC3 1 1.602 3 4 0 -6.38262439532574 17252848 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC 1 3.241 2 6 0 -7.49927232450446 17252847 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C=C(C=C3Br)F)F 1 4.45 2 3 -0.265320646448044 17252844 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC(=C(C=C3)OC)OC 1 3.257 2 5 0 -7.80836487328193 17252843 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=C(C=C3)Br 1 4.039 2 3 -2.14184212345142 17252840 CC1=CC(=C(C=C1)O)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)OC 1 3.534 2 4 0.589987911726688 17252839 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C=CC(=C3)Br)O 1 3.797 2 4 2.07062617727999 17252838 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C=CC(=C3)Cl)O 1 3.713 2 4 2.60503520396297 17252835 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCOCC3 1 1.607 2 4 0 -4.50023600506146 17252833 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCCCCC3 1 3.293 2 3 -2.93193955528587 17252832 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.754 3 3 2.04991499859897 17252813 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=C4C=CC(=O)C=C4)ON3 1 0.72 2 5 0 -7.02490215409006 17252809 C1=CC(=C(N=C1)Cl)NC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2 1 0.675 3 3 0 -4.69463253082819 17252800 CC1(CC2CC(C1)(CN2C(=O)C3=CC(=C4C=CC(=O)C=C4)ON3)C)C 1 1.623 2 3 0 -12.8594002303102 17252798 C1COCCN1C(=O)C2=CC(=C3C=CC(=O)C=C3)ON2 1 -0.731 2 4 0 -7.55199768154978 17252795 C1CCCN(CC1)C(=O)C2=CC(=C3C=CC(=O)C=C3)ON2 1 0.955 2 3 0 -5.98370123177419 17252791 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC(=C4C=CC(=O)C=C4)ON3 1 1.416 3 3 0 -0.926412760871266 17252790 C1CCC(CC1)NC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2 1 1.234 2 3 0 -6.88358232556673 17252765 C1COCCN1C(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br 1 2.372 2 3 -3.72193085043194 17252734 C1CN(CC2=CC=CC=C21)C(=O)C3=NOC(=C3)C4=CC=C(C=C4)Cl 1 4.258 2 2 -4.12784208282959 17252726 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NOC(=C3)C4=CC=C(C=C4)Cl 1 4.23 3 2 3.31169967772244 17252725 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=NOC(=C3)C4=CC=C(C=C4)Cl 1 4.435 3 2 4.28487989832993 17252724 C1CCC(CC1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl 1 4.253 2 2 -2.37340478472769 17252691 C1CCCN(CC1)C(=O)C2=NOC(=C2)C3=CC=C(C=C3)F 1 3.515 2 2 -1.80709632067648 17252686 C1CCC(C1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)F 1 3.338 2 2 -3.12905793568117 17249905 CCC1=NOC(=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)OC)C 1 2.772 3 3 -12.6611760208249 17249037 CCC1=NOC(=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)C 1 2.449 3 4 0 -30.1085340840542 17249003 CC1=CN=C(C=C1)NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 4.042 2 1 -3.69304830240721 17248960 CC1=CC(=C(O1)C)C(=O)NC2=CC=NC=C2 1 0.858 2 2 0 -6.42144620466328 17244505 CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC)N=C1CCN4C=CC=CC4=O 1 2.232 4 4 0 -7.22293923436722 17244502 CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3)N=C1CCN4C=CC=CC4=O 1 2.248 4 3 0 -7.15293046599233 17226905 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.067 3 3 -17.4705221209048 17225917 CC(CCC1=CC=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 2.787 2 3 -18.6232780945556 17225827 CC(C1=CC=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 2.01 2 3 -18.9043188893736 17223983 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F 1 2.74 3 4 0 -15.9762207000104 17223971 CC(C)CC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F 1 2.815 4 2 -6.73881796328626 17223942 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F 1 3.817 3 2 1.03854253478423 17223941 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F 1 3.315 3 3 -1.53651493698434 17223914 C1CN(CCC1C(=O)NC2=CC=CC=N2)C(=O)C3=CC=C(C=C3)F 1 2.094 3 2 -1.20460352482789 14851538 CC(C)(C)C(=O)OC[N+](C)(C)CCOC(=O)C(C1CCCC1)(C2=CC=CC=C2)O.[Cl-] Cl- 1 2.915 1 5 -7.74936584435525 14792742 CC(=O)OCCN(C#N)C1=NC(=NC(=N1)SC)N(C)C 1 0.906 6 2 0 -6.2414240793505 14792547 CC1=CC2=C(C=C1)S(=O)(=O)C(C=C2)(C)C 1 2.646 0 2 2.63049985526095 14769806 CN1/C(=C(/NC2=CC=C(C=C2)C(=O)O)\O)/C(=O)C3=CC=CC=C3S1(=O)=O 1 1.68 2 6 0 -2.26978921472914 14741964 CC(=O)N\1C2=CC=CC=C2C(=O)/C1=C\NC3=CC=CC=C3 1 1.82 2 2 0 -4.0598145226669 14730864 C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)O)O 1 -1.758 0 10 0 -9.49282785287777 14720269 CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3[N-]2)OCCCOC.[Na+] Na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l(=O)(=O)=O OCl(=O)(=O)=O 1 1.205 1 2 0 -4.90675425488912 14592567 CC(C)(C)C(=O)C[N+]1=CC=CC=C1.[Br-] Br- 1 2.562 1 1 -6.22223059852985 14585037 CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O 1 -0.714 0 19 0 -27.3132760876471 14583237 CCC(C)/C=C/C1=CC2=C(C(=O)C3(C(C2=CO1)C(C(=O)O3)C(=O)C(C)C(C)O)C)Cl 1 2.815 0 6 -4.06501930733907 14531102 C[N+]1=CC=CC=C1/C=C/C2=CC=CC=C2Cl.[I-] I- 1 4.376 1 0 2.65623931841453 14531101 CC1=CC=CC=C1/C=C/C2=CC=CC=[N+]2C.[I-] I- 1 4.198 1 0 1.79614966254406 14531100 C[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)C#N.[I-] I- 1 3.591 2 0 -3.27712656912739e-002 14489281 CC1=CC(=O)[C@@H]2[C@@]([C@]1(CO)O)(CCCC2(C)C)C 1 2.006 0 3 1.146991958885 14449731 C1=CC(=CC(=C1)F)NC(=O)NC2=CC=NC=C2 1 1.577 3 1 0 -1.03731481464509 14448772 CN1/C(=C\C2=CC=C(C=C2)F)/C(=O)N=C1N 1 1.202 3 1 0 -1.28970761490957 14438047 CC1=CC=CC=[N+]1CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-] Br- 1 2.73 2 3 -5.09030974638855 14435435 CC(C)(CC(=O)O)CN.Cl Cl- 1 -2.483 1 2 0 -5.28447552704232 14432812 C[N+]1=CC2=C(C3=C(C=C2CC1)OCO3)OC.[I-] I- 1 1.778 1 3 0 7.02917271028647e-002 14428237 C1=CC=C(C=C1)CNC(=O)CCCC(=O)C2=CC=CC=C2 1 3.033 1 2 -15.0043485482894 14415827 C1CCC2=C(C1)C3=CC=CC=C3N2CC(CN4CCOCC4)O.Cl Cl- 1 3.028 2 2 0.161576970605282 14412270 CC(=CCC1=C(C2=C(C(=C1O)C(C)(C)C=C)OC3=C(C2=O)C=CC(=C3O)O)O)C 1 5.318 0 6 0.778467553740537 14412268 CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C4=CC(=C(C(=C4O3)O)O)CC=C(C)C)(C)C 1 5.123 0 6 -1.78069181586091 14409359 CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4C5(OCCO5)C)C)C 1 3.918 0 4 -31.5516795478172 14400565 CSC1=CC=C(C=C1)OC2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 4.049 1 1 4.61191983132578 14400564 CSC1=CC=CC=C1OC2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 4.049 1 1 -2.99909457046943 14400559 CN1CCC(CC1)OC2=CC=C(C=C2)SC3=CC=CC=C3.Cl Cl- 1 4.042 1 1 3.427229786203 14399962 CC1=CC=C(C=C1)C2=NC(N3C2C3C4=CC=C(C=C4)[N+](=O)[O-])(C)C 1 3.701 3 2 2.89910670453621 14392721 C1CN2C(=NC3=CC=CC=C32)CN1C(=S)NC4=CC=CC=C4 1 4.365 4 0 -8.01046866154694 14539884 CC1(C(CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O)C 1 3.589 0 5 6.45139684346977 14376449 CC(=CC(C/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)O)C 1 4.073 0 4 -7.99842611261962 14341469 CC[N+]1(CC2C(C3=C(C=C2C1)C4=CC=CC=C4C=C3)C)CC.[Br-] Br- 1 2.886 1 0 -0.204442200046101 14303019 CCOC1=C(C=CC(=C1)/C=C/C2=CC=CC=[N+]2C)O.[I-] I- 1 3.802 1 2 3.37366122171622 14262872 C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC)C.[I-] I- 1 2.179 1 4 -9.3606304035071 14261175 CC(=O)OC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3OC2=O)OC(=O)C)OC(=O)C 1 2.681 0 8 0 -2.18740760427432 14250540 CCN1C2=C(C=CC(=C2)C(=O)OCC(F)(F)F)[N+](=C1/C=C/NC3=CC=CC=C3)CC.[I-] I- 1 5.282 3 2 4.68067846191185 14197121 CC1=CC2=C(C=C1)NC3=C2CCCC3NCCO.Cl Cl- 1 2.808 2 1 3.15993771321865 14159747 COC1=CC(=C(C(=C1C(=O)/C=C/C2=CC=CC=C2)O)O)OC 1 3.185 0 5 -0.900289574557176 14155779 CC(C)C1C(CC2(C(C2C1O)CCC(=O)C)C)OC(=O)/C=C/C3=CC=CC=C3 1 3.743 0 4 -7.67574994592666 14155083 C1=CC=C(C=C1)CSC2=NN3C=CC=NC3=N2 1 2.886 4 0 -6.10631476719452 14153938 C1=CC=C(C=C1)OC(=O)C(C(C(=O)O)C(=O)OC2=CC=CC=C2)C(=O)O 1 2.457 0 8 0 -5.88080016543722 14147175 C1=CC=C(C=C1)CN2C=[N+](C=N2)CC3=CC=CC=C3.[Cl-] Cl- 1 3.727 3 0 -0.734150844274112 14137704 CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)O)C=O)C)C)C(=O)O 1 5.432 0 4 -3.14483772623986 14118789 CC1=CC=C(C=C1)N/N=C/2\C(=NN3C2=NC(=CC3=O)C)N 1 1.398 6 1 0 -6.95291793897699 14062042 C1=CC(=CC=C1N/N=C/2\C=CC(=O)C=C2O)Br 1 2.758 2 2 0.525488098775897 14060789 CC(C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC)NC(=O)OC(C)(C)C 1 2.535 2 8 0 -19.5653717824496 14059029 C/C(=C\CCC1(C2CC3C1(C3C2)C)C)/C(=O)O 1 3.266 0 2 -3.21113544130861 14009223 CC1=CC2=[N+](C=C1)C=C(C(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-].[Br-] Br- 1 5.142 3 4 0 2.27265906851564 14009215 CC1=CC=CC2=[N+]1C=C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-] Br- 1 5.149 1 0 3.1143638405881 13996146 C1=CC=C(C=C1)COC(=O)CNC(=O)CN.Cl Cl- 1 -0.298 2 3 0 -11.4693348487218 13964059 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O)O)C4=CC=C(C=C4)O)O)O)OC(=O)C 1 3.066 0 11 0 -9.5528473621963 13956828 COC1=CC=C(C=C1)C(=O)CNC2=NCCC2.Cl Cl- 1 1.129 2 2 0 -8.15182162578098 13931731 CC[N+]1=C(SC2=CC=CC=C21)/C=C/3\CC(CC(=C3)C)C.[I-] I- 1 5.756 1 0 17.0190253974899 13895170 C[N+]1(CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5)OC)OCO3)[O-] 1 2.544 1 4 -2.4478987728054 13895168 C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC)[O-] 1 2.604 1 4 0.525580418869352 13850061 C1CCC2(C1)CC(=O)C3=C(O2)C=CC(=C3)F 1 2.951 0 2 -3.30609338680711 13847804 CCOC1=CC=C(C=C1)N/N=C/2\C=CC(=O)C3=C2C=CC=N3 1 3.227 3 2 -0.389905799339197 13842482 C[N+]1=CC=C(C=C1)/C=C/C2=CC=CS2.[I-] I- 1 3.374 1 0 0.983422023405866 13802928 CN(C)CC1CSCCC1(C2=CC=C(C=C2)C(F)(F)F)O.Cl Cl- 1 2.742 1 1 8.96089432309077 13802914 CN(C)CC1CSCCC1(C2=CC(=CC=C2)OC)O.Cl Cl- 1 1.783 1 2 0 4.7845486844437 13791159 CC1=[N+](C(=C(C=C1)[N+](=O)[O-])C)C.[I-] I- 1 1.62 2 2 0 -2.25907310468091 13789677 CC1(CC(=CC(=O)C1)NNC(=O)OC)C 1 0.59 2 3 0 -16.5220965776563 13762804 C1=CC=C(C=C1)C(C[N+]2=CC=CC=C2)O.[Br-] Br- 1 2.507 1 1 -0.944291646321428 13761641 CC1=C(CCC1=O)N2CCOCC2 1 0.605 1 2 0 -5.9047158911702 13760225 C1CCN(CC1)CCN2C3=CC=CC=C3N(C2=N)CCO.Cl Cl- 1 1.675 4 1 0 -2.07957092108139 17070626 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)Cl 1 1.915 3 3 0 -15.8381957838635 17067471 CC1N2C3=CC=CC=C3N=C2C4=CC=CC=C4N1C(=O)C 1 2.781 3 1 -3.90366666768342 17066599 C1CN(CCN1CC(=O)NC2=CC=NC=C2)C3=CC=CC=C3 1 1.435 4 1 0 -1.76710594787585 17065330 C1=CC=C(C(=C1)C(=O)NCCCN2C=CN=C2)F.Cl Cl- 1 1.047 3 1 0 -7.64923938180968 17065305 CC(CN1CCCC1)OC(=O)C2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 3.991 1 2 0.435115156833682 17065294 CC(CN1CCCC1)OC(=O)C2=CC=C(C=C2)Cl.Cl Cl- 1 3.327 1 2 -2.22049289521131 17065290 CC(CN1CCCC1)OC(=O)C2=CC=CC=C2Cl.Cl Cl- 1 3.327 1 2 -3.91042251196324 17065287 CC(CN1CCCC1)OC(=O)C2=CC=C(C=C2)Br.Cl Cl- 1 3.411 1 2 -3.67715264031275 17065286 C1CCN(C1)CCNC(=O)C2=CC=C(C=C2)Br.Cl Cl- 1 2.386 2 1 -6.07901201991199 17065285 C1=CC(=CC=C1C(=O)NCCCN2C=CN=C2)Br.Cl Cl- 1 1.59 3 1 0 -5.32185699439351 17065280 CC1CCCC(N1CC(C)OC(=O)C2=CC=CC=C2Br)C.Cl Cl- 1 4.622 1 2 -8.14112515246667 17065273 CC(C)(C)C1=CC(=CC(=C1)C(=O)NCCCN2C=CN=C2)C(C)(C)C.Cl Cl- 1 3.643 3 1 -4.44160180247849 17065271 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCN2C=CN=C2.Cl Cl- 1 2.242 3 1 -3.10906179076759 17065270 CC1CCCC(N1CC(C)OC(=O)C2=CC=C(C=C2)C)C.Cl Cl- 1 4.36 1 2 -8.43340570987281 17065264 CC1=CC=CC(=C1)C(=O)OCCN2CCOCC2.Cl Cl- 1 1.998 1 3 0 -6.43832610858775 17065259 CC(CN1CCOCC1)OC(=O)C2=CC=C(C=C2)C(C)(C)C.Cl Cl- 1 3.289 1 3 -4.21743216176699 17065237 CN1CCCC(C1)OC(=O)C2=CC(=CC=C2)Br.Cl Cl- 1 3.062 1 2 -4.48010374029264 17060772 C1=CC(=CC(=C1)Cl)C2N=C(N=C(N2CCC3=CC=C(C=C3)F)N)N.Cl Cl- 1 3.195 5 0 7.84401007674371 17060771 CC1=CC(=CC(=C1)N2C(N=C(N=C2N)N)C3=CC(=CC=C3)Cl)C.Cl Cl- 1 3.633 5 0 5.16761511561255 17060770 C1=CC=C(C(=C1)C2N=C(N=C(N2C3=CC(=C(C=C3)F)Cl)N)N)C(F)(F)F.Cl Cl- 1 3.809 5 0 3.8390512704922 17060769 CC1=CC(=CC(=C1)N2C(N=C(N=C2N)N)C3=CC=CC=C3F)C.Cl Cl- 1 3.174 5 0 2.47024560136552 17060039 COC1=C(C=CC(=C1)CNC2=CC3=C(C=C2)NC(=O)N3)OCC4=C(C=CC=C4Cl)F 1 4.505 3 3 -15.4480032748476 17052339 C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)NCC4=CN=CC=C4 1 3.04 5 1 -4.44591221819905 17038753 CC1=CC(=NC2=C1C(=NN2C3=CC=CC=C3)C(C)(C)C)C 1 4.902 3 0 0.305531350953019 17038700 COCCCN1C(C(=O)N(C1=O)C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3 1 1.779 3 4 0 -17.2265412333687 17038163 CN1CCN(CC1)C(=O)/C(=C/C2=CN(C3=CC=CC=C32)S(=O)(=O)N(C)C)/NC(=O)C4=CC=CC=C4F 1 2.028 5 4 0 -15.9188818065682 17038162 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CN(C3=CC=CC=C32)S(=O)(=O)N(C)C)/C(=O)NCCN4CCOCC4 1 1.972 5 5 0 -20.2611439539593 17038161 CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCN3CCOCC3)\NC(=O)C4=CC=C(C=C4)OC 1 1.47 5 6 0 -20.6741101631035 17038160 CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCN3CCOCC3)\NC(=O)C4=CC=CC=C4 1 1.486 5 5 0 -21.2252045184811 17037987 CCN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCN3CCOCC3)\NC(=O)C4=CC(=C(C=C4)OC)OC 1 2.699 4 5 0 -24.1707733733533 17037742 COC1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)OC)/O)/C(=O)C(=O)N2CCCN4CCOCC4 1 2.232 2 6 0 -10.1162242045611 17037736 CC1CC2(CCCC2)NC3=C1C=C(C=C3)F.Cl Cl- 1 3.885 1 0 -0.894047655889251 17028316 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNCCC3=CC=CC=C3)O)C)C 1 3.659 2 4 -4.22149552904558 17027719 C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3S2 1 2.415 2 2 -16.950435921289 17027001 C1=CC=C(C=C1)C2=NN=C3N(C2=O)N=C(S3)COC4=CC=C(C=C4)Br 1 4.519 4 2 -3.87419292138087 17026810 C1=CC(=NC=C1Br)NC(=O)C2=CC=C(O2)COC3=C(C(=CC(=C3F)F)F)F 1 4.613 2 3 -6.72856899991564 17025735 CC1=NN(C2=C1C(=CC(=N2)C(F)F)C(F)F)C3=CC=CC=C3 1 3.917 3 0 1.2504440188457 17025734 CC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=C1)C(=O)OC 1 2.725 3 2 -4.61963545644267 17024422 CC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC(=C(S3)C)C 1 4.422 1 1 -6.83371220339259 17024255 CC1=C(SC(=C1)C(=O)NC2=NC=C(C=C2)Br)C 1 3.336 2 1 -5.58557764160861 17024226 C1CC2C3C(C1O2)C(=O)N(C3=O)C4=CC(=CC(=C4)OCC(F)F)[N+](=O)[O-] 1 1.409 2 6 0 -4.35900377160982 17024195 CCOC1=C(C=C(C=C1)CCN2C(=O)C3C4CCC(C3C2=O)O4)OCC 1 2.011 1 5 -7.97634731885619 17024149 CCC(C1=CC=C(C=C1)C)N2C(=O)C3C4CCC(C3C2=O)O4 1 2.413 1 3 -5.264620459951 17023974 CC1=CC(=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)O4)OC(F)F 1 2.31 1 4 0.961652624541077 17023164 CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)COC4=CC=C(C=C4)F)SC2)C(=O)O 1 1.545 4 5 0 -20.5366676415697 17022455 CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)COC3=CC=C(C=C3)F)SC1)C(=O)O 1 0.46 2 7 0 -12.7733714764597 17022336 CN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=C(C=C3)F)Cl 1 4.689 2 1 -12.9551530422825 17022058 C1=CSC(=N1)NC(=O)C2=CC=C(O2)COC3=C(C(=CC(=C3F)F)F)F 1 3.474 2 3 -6.50391388085332 17021340 CC1=C(C(=CC=C1)N2C(=O)C3CCCN3C2=S)C 1 3.82 2 1 1.5687225172427 17021323 CC1=CC(=C(C=C1)N2C(=O)C3CCCN3C2=S)C 1 3.82 2 1 -1.17415581191157 17021321 COC1=CC(=C(C=C1)OC)/C=C/C(=O)C2=CC3=C(C=C2)OCO3 1 3.437 0 5 -2.02105908224651 17021061 CC1=CN=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3[N+](=O)[O-] 1 3.424 3 5 0 -10.2043826302641 17020010 CN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)C=O)OC 1 3.563 2 3 -19.5198804030626 17020009 CC1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2C 1 4.306 2 1 -12.3976125888408 17020007 CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2C 1 4.306 2 1 -15.733315399858 17017507 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NNC(=O)C4=CC=CO4)Cl 1 2.931 6 2 0 1.21887137704178 17017448 C1=COC(=C1)C(=O)NNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F 1 1.986 6 2 0 1.8493482977973 17016193 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=NC=C3 1 0.268 3 4 0 -21.1915412243414 17015245 CC(C(=O)NC1CCCC1)SC2=NN=NN2C3=CC=CC=C3OC 1 2.73 5 2 0 -20.1245756700665 17015159 CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)O 1 3.546 1 3 2.31709724439439 17014764 COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CO2)N3CCCC3 1 2.628 2 3 -13.3606037086459 17014749 COC1=CC=C(C=C1)OCC(=O)NCC(C2=CC=CS2)N3CCOCC3 1 2.142 2 4 -13.7158275683833 17014747 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NCC(C2=CC=CS2)N3CCOCC3 1 3.839 2 3 -12.0998605074395 17014744 C1COCCN1C(CNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3 1 2.053 3 5 0 -15.2519825753968 17014741 CC1=CC=CC(=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3 1 2.809 2 2 -11.7719646191068 17014737 CC1=CC(=CC=C1)OCC(=O)NCC(C2=CC=CS2)N3CCOCC3 1 2.644 2 3 -12.1631362254256 17014733 C1COCCN1C(CNC(=O)C2=CC=C(C=C2)Cl)C3=CC=CS3 1 2.987 2 2 -10.0304225762532 17013970 COC1=CC=C(C=C1)CC(=O)NC2CCS(=O)(=O)C2 1 0.564 1 4 0 -14.1100533043163 17012461 CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CCN(CC3)CCC4=CC=CC=N4 1 3.843 3 2 9.17434270819363 17011586 C1COCCN1C(CNC(=O)COC2=CC=CC=C2Cl)C3=CC=CS3 1 2.823 2 3 -13.8351160087525 17011184 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(C2=CC=CS2)N3CCOCC3 1 2.274 2 5 0 -15.7451961993838 16961153 CC1=CC=CC=C1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 3.499 2 5 0 -5.88561189200802 16959594 CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C 1 0.243 3 7 0 -24.8829093629884 16959546 COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C5=CC=CC=C5[N+](=O)[O-] 1 4.839 5 3 0 1.09890919598852 16959514 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.927 3 4 0 -12.8104560647026 16959503 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4 1 1.873 4 8 0 -22.0473575025319 16959438 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4 1 1.904 4 7 0 -21.428161172697 16959432 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])N 1 3.289 5 6 0 -7.17490119187325 16959426 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C 1 1.624 5 5 0 -18.6117249357635 16959409 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])N 1 1.966 5 7 0 -6.59437949762444 16959407 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])N 1 3.426 5 6 0 -7.05118767398043 16959405 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])N 1 3.678 5 6 0 -8.38258435280397 16959350 CC(C)CC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.468 5 4 0 -10.2577954006128 16959342 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4 1 2.376 4 7 0 -21.2495506625935 16959341 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4 1 1.147 4 8 0 -21.2692848718816 16959270 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)S(=O)(=O)N4CCOCC4 1 1.649 4 7 0 -17.8123370974309 16959268 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 0.729 5 6 0 -25.5755245832639 16959066 CC1CCCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 1.931 3 6 0 -12.904352689286 16959059 CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C 1 3.524 3 6 0 -11.7285086810797 16959052 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 1.371 3 8 0 -14.9813400238041 16959045 COC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.049 3 7 0 -10.7054784941935 16959044 CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)Br 1 3.3 3 6 0 -10.3552751932613 16959042 CC1CC(CN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C 1 2.251 3 6 0 -13.9694475065591 16959036 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 1.453 3 8 0 -19.7176667749855 16959032 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 0.551 3 8 0 -20.8721276459132 16959027 COCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.861 3 8 0 -11.4020129331608 16959024 CC1CCCCN1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 1.99 3 6 0 -13.0686219288937 16959009 CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 3.658 2 6 0 -8.58135825857439 16959001 CC1=CC(=C(C=C1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C)C 1 4.144 2 6 0 -6.85788769395202 16958777 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.788 3 5 0 -9.57755822022158 16958435 CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CC3CCCC(C2)C3=O 1 2.751 2 6 0 -9.11728284438997 16958434 CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CC3CCCC(C2)C3=O)C 1 3.237 2 6 0 -7.22804324417673 16958402 CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NC3CCS(=O)(=O)C3 1 1.276 1 5 0 -15.0380246545759 16958020 C1CC2=C(C1)NC(=NC2=O)SCC(=O)NC3=CC=CC=C3Cl 1 2.867 3 2 -19.2504943967601 16957680 CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)N(C)C3CCCCC3)C#N 1 4.566 4 2 -13.0235929906264 16957634 C1CC2=C(C1)NC(=NC2=O)SCC(=O)NC3=CC=C(C=C3)F 1 2.408 3 2 -18.539281642721 16956475 CC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCCC4 1 4.496 4 1 -6.7726763855061 16956454 C1=CC=C(C=C1)CN2C=C3C(=NN(C3=O)CC4=C(C=C(C=C4)F)Cl)C5=CC=CC=C52 1 5.033 3 1 -0.619333515012505 16956152 C1CN(CCC1NC2=NC3=C(N=NN3C4=C2C=C(C=C4)Cl)S(=O)(=O)C5=CC=CC=C5)CC6=CC=CC=C6 1 4.499 6 2 0 -7.97359293863738 16955491 CCC1=CC=C(C=C1)C2=NN3C(=NN=C3SCC(=O)N)C=C2 1 2.964 5 1 -11.6345706135582 16931031 CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3Cl 1 3.35 2 3 -26.4926275006597 16924971 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3 1 2.392 2 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C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN4C=NN=C4C=C3 1 2.487 6 4 0 -8.86221193689703 16873489 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN4C=NN=C4C=C3 1 2.487 6 4 0 -6.64723284170948 16834504 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC(=CC=C4)[N+](=O)[O-] 1 2.286 3 6 0 -18.9925635417871 16834501 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4F 1 2.597 2 4 -14.4104434472572 16834497 CC1=CC=C(C=C1)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 2.878 2 4 -17.2238749046032 16834494 CC1=CC(=CC=C1)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 2.878 2 4 -14.7788125797272 16834492 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=C(C=C4)[N+](=O)[O-] 1 2.286 3 6 0 -19.3182726919605 16834491 CC1=CC=CC=C1CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 2.878 2 4 -14.4714378291698 16834489 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC(=CC=C4)F 1 2.597 2 4 -14.166211766951 16834488 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4 1 2.392 2 4 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C1=CC(=CC=C1C(F)(F)F)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F 1 2.713 5 3 0 -11.9767979823951 16834227 C1=CC(=CC=C1NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F)F 1 1.976 5 3 0 -15.1053922345873 16834208 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)OC)OC 1 0.447 6 6 0 -24.4951307401185 16834075 CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=NOC(=C3)C)N 1 0.985 6 4 0 -25.7060544427595 16834067 CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NCC3CCCO3)N 1 0.628 5 4 0 -25.1624781977667 16834023 CCC1=NN=C(S1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)OC 1 0.745 7 4 0 -24.9282544387788 16834017 COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NCC3CCCO3)N 1 0.126 5 5 0 -25.5754444069109 16834012 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)OC 1 0.464 6 5 0 -19.9371265996563 16834010 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)OC 1 1.083 5 5 0 -20.0126793957013 16833974 CC1CCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)OC 1 1.142 5 4 0 -21.4883047763014 16833938 C1=CC(=CC=C1C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N)Br 1 2.002 6 5 0 -18.0633014956307 16833893 CC1=CC(=NO1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F 1 0.704 6 4 0 -26.955603240422 16833884 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F 1 0.686 6 4 0 -20.9620057825084 16833859 CC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F 1 2.051 5 3 0 -15.9818367189508 16833766 CC1CCCN(C1)S(=O)(=O)C2=C(N(C(=O)N(C2=O)C)C)C 1 -2.9e-002 3 4 0 -17.0556567924633 16833763 CCC1CCCCN1S(=O)(=O)C2=C(N(C(=O)N(C2=O)C)C)C 1 0.553 3 4 0 -13.8594842128136 16833759 CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)N(C)C2CCCCC2 1 0.593 3 4 0 -10.2612127589769 16833734 CN(CC1CCCO1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=C(C=C(C=C4)OC)OC 1 1.898 4 7 0 -15.2383941723179 16833724 CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CC3CCCO3 1 3.062 2 4 -16.0956855524742 16833721 CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CC3CCCO3)C 1 3.062 2 4 -14.7961176623866 16833706 CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CC3CCCO3)C 1 3.062 2 4 -13.3107845968731 16833705 CN(CC1CCCO1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3F 1 2.296 2 4 -15.5718950157928 16833702 CN(CC1CCCO1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.795 3 6 0 -17.3390859006034 16833694 CN(CC1CCCO1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 1.984 3 6 0 -16.5017514509138 16833684 CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4CCCO4)C 1 2.801 3 6 0 -31.5803834067969 16833641 CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4CCCO4.Cl Cl- 1 1.454 4 5 0 -19.4856465708802 16833206 CC1=CC=C(C=C1)S(=O)(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)N5CCC(CC5)C(=O)N 1 2.307 6 3 0 -10.7203573945224 16833026 CC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F 1 0.472 3 5 0 -16.6002292154293 16832851 C1CN(CCC1C(=O)N)C2=NC3=C(N=NN3C4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5 1 1.821 6 3 0 -11.7847800307709 16832830 COC1=CC=C(C=C1)C(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CN=CC=C4 1 3.444 3 3 -10.4830443104804 16832812 CCOC(=O)CNC(=O)COC1=COC(=CC1=O)CN2CCN(CC2)C3=CC=CC=C3F 1 0.744 3 6 0 -9.79739977123659 16832811 CCOC(=O)CNC(=O)COC1=COC(=CC1=O)CN2CCN(CC2)CC3=CC=CC=C3 1 0.45 3 6 0 -12.1934830431152 16832805 C1CC(N(C1)S(=O)(=O)C2=CC=CS2)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.974 3 5 0 -15.1079496516846 16832803 C1CCN(C(C1)CCNC(=O)C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 0.934 4 4 0 -20.939553182941 16832789 CCCC1=CC(=O)N=C2N1C(=NN2)SCC(=O)NC3=CC=C(C=C3)NC(=O)C 1 1.746 6 3 0 -22.6577289083894 16832763 COC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4)N 1 2.896 5 3 0 -13.4760474286221 16832762 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NCC3=CC=CO3 1 2.497 4 4 0 -23.4105568577508 16832761 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(O3)CNC(=O)C4=CC=CC=C4 1 1.683 4 5 0 -26.326105837054 16832752 COC1=CC=CC=C1CCNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.163 4 8 0 -24.8246066911658 16832748 COC1=CC=C(C=C1)OCC(CN(CC(COC2=CC=C(C=C2)OC)O)C3=CC(=CC=C3)O)O 1 3.96 1 7 0 -1.26130860969841 16832675 COC1=C(C=C(C=C1)CCNS(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3)OC 1 1.661 2 7 0 -15.4099928089074 16832649 CCOC1=CC=C(C=C1)N2C=CN=C(C2=O)SCC(=O)NC3=C(C=C(C=C3)OC)OC 1 2.133 3 5 0 -15.7483573621153 16832621 COC1=CC=CC(=C1)CNC(=O)CSC2=NC3=C(C(=O)N2CC4CCCO4)OC5=CC=CC=C53 1 3.817 3 5 0 -21.9994408502198 16832600 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)N 1 1.467 3 5 0 9.57019163177405e-002 16832599 COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)N 1 1.467 3 5 0 0.691670399560491 16832598 CCN(CC)CCN1C2=C(CCC2)C(=NC1=O)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 3.013 4 4 0 -19.7215450965655 16832589 CC1CC(CN(C1)CCCNC(=O)C2=C(N3C=CC(=CC3=NC2=O)C)O)C 1 1.572 4 3 0 -15.0170689073676 16832553 COC1=CC=CC(=C1)NC(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.653 3 5 0 -10.2840622338512 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COC1=CC=C(C=C1)CCNC(=O)C(=O)NCC2CCCN2S(=O)(=O)C3=CC=C(C=C3)OC 1 1.854 3 6 0 -18.4421645747732 16829936 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC3CCCCCC3 1 2.281 3 5 0 -20.0109121066043 16829931 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NCC3=CC=CC=N3 1 0.614 4 5 0 -19.4227053817189 16829930 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC3=CC(=CC=C3)F 1 1.748 3 5 0 -15.7953544642871 16829929 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC3=CC=C(C=C3)F 1 1.748 3 5 0 -16.8744831044523 16829926 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NCC3=CC=CS3 1 1.29 3 5 0 -20.0662036304482 16829925 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.318 3 7 0 -18.9132057254962 16829908 CC1=CC=C(C=C1)NC(=O)C(=O)NCC2CCCN2S(=O)(=O)C3=CC=C(C=C3)OC 1 2.029 3 5 0 -17.5863601299176 16829905 CC1=CC=C(C=C1)CNC(=O)C(=O)NCC2CCCN2S(=O)(=O)C3=CC=C(C=C3)OC 1 2.036 3 5 0 -17.2179517882711 16829903 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NCC3=CC=CC=C3 1 1.55 3 5 0 -18.0327666930507 16829896 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2CNC(=O)C3=CC4=C(C=C3)OCO4)C 1 3.52 2 5 0 -12.4380528770675 16829885 CC1=CC=C(C=C1)C(=O)NCC2CCCN2S(=O)(=O)C3=CC=C(C=C3)C 1 3.265 2 3 -14.7302811966524 16829883 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C3=CC=CC=C3 1 2.779 2 3 -14.6996098219442 16829879 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C3=CC4=C(C=C3)OCO4 1 2.547 2 5 0 -16.2012009129997 16829872 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC3=CC=CC=C3 1 2.045 3 4 0 -17.3300480591468 16829863 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NCC3=CC=CC=N3 1 1.117 4 4 0 -19.0097391725747 16829862 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NCC3=CC=CS3 1 1.792 3 4 0 -19.6532374213041 16829858 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC3=CC=C(C=C3)OC 1 2.029 3 5 0 -17.5863601299176 16829856 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC3CCCC3 1 1.871 3 4 0 -19.2434773832921 16829851 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2CCCN2S(=O)(=O)C3=CC=CC=C3 1 3.693 2 3 -12.2218377445597 16829845 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CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NCC3=CC=CC=N3 1 2.122 4 4 0 -17.4572659606685 16829787 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC3CCCC3 1 2.876 3 4 0 -17.5372454336181 16829786 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NCC3=CC=CC=C3 1 3.057 3 4 0 -16.0673272720003 16829772 COC1=CC=CC=C1NC(=O)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3 1 1.848 3 5 0 -20.3037107675367 16829769 COC1=CC=CC=C1CNC(=O)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3 1 1.855 3 5 0 -19.1574677933982 16829767 C1CCN(C(C1)CCNC(=O)C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 1.864 3 4 0 -17.1553062332079 16829764 COC1=CC=C(C=C1)CCNC(=O)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3 1 2.176 3 5 0 -15.3189338567539 16829763 COC1=CC=CC(=C1)NC(=O)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3 1 1.848 3 5 0 -17.0549129092911 16829762 COC1=CC=CC(=C1)CNC(=O)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3 1 1.855 3 5 0 -17.0519711039378 16829761 COC1=CC=C(C=C1)CNC(=O)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3 1 1.855 3 5 0 -16.9458157358075 16829760 COC1=CC=CC=C1CCNC(=O)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3 1 2.176 3 5 0 -19.7791640933702 16829756 COC1=CC=C(C=C1)NC(=O)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3 1 1.848 3 5 0 -17.314224077454 16829741 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NCC3=CN=CC=C3)C 1 2.393 4 4 0 -16.0431633770262 16829740 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NCC3=CC=CC=N3)C 1 2.608 4 4 0 -15.7250275700647 16829711 CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NCC3=CC=CC=C3C 1 3.057 3 4 0 -18.7633332416935 16829702 CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NCC3=CC=CC=C3OC 1 2.554 3 5 0 -19.9504839569808 16829698 CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NCC3=CC(=CC=C3)OC 1 2.554 3 5 0 -17.8449872675204 16829697 CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NCC3=CC=C(C=C3)OC 1 2.554 3 5 0 -17.8362261259149 16829694 CC1=CC=C(C=C1)CNC(=O)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=C(C=C3)C 1 3.057 3 4 0 -18.2495788589884 16829693 CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NCC3=CC=CC=C3 1 2.571 3 4 0 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CN(C)CCNC(=O)C(=O)NC1=CC2=C3C(=C1)CCC(=O)N3CC2 1 0.169 4 3 0 -17.9824003796359 16823132 COC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CS2)N3CCC4=CC=CC=C4C3 1 3.98 2 3 -10.0607689972572 16823127 CC(=O)NC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CC=CO2)N3CCC4=CC=CC=C4C3 1 2.122 4 4 0 -18.7429830680275 16823124 COC1=CC=C(C=C1)C(=O)NCC(C2=CC=CO2)N3CCC4=CC=CC=C4C3 1 3.719 2 3 -13.7426354133589 16823123 CC(=O)NC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CC=CO2)N3CCC4=CC=CC=C43 1 2.211 4 4 0 -18.6507906733367 16823120 C1CN(CC2=CC=CC=C21)C(CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4 1 2.894 4 4 0 -17.4686513977521 16823074 CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCCN(C)C)C(=O)CS(=O)(=O)C3=CC=C(C=C3)F.Cl Cl- 1 3.7 3 4 0 -9.19799990484112 16822921 CS(=O)(=O)C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O 1 1.141 4 6 0 -17.8052561018121 16822892 CS(=O)(=O)C1=CC=CC=C1C2=NN=C(O2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O 1 1.141 4 6 0 -21.3307002552786 16822850 COC1=NN=C(C=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.728 4 5 0 -0.179247081936997 16822845 CC1=CSC2=NC(=O)C(=C(N12)O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.354 3 5 0 -14.7154617045751 16822837 C1=CC=C(C=C1)CCCNC(=O)C2=C(N3C=CSC3=NC2=O)O 1 1.85 3 3 0 -16.0648751090942 16822834 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N4C=CSC4=NC3=O)O 1 0.84 3 5 0 -16.4542511603095 16822832 C1CCC(CC1)NC(=O)C2=C(N3C=CSC3=NC2=O)O 1 1.347 3 3 0 -14.8417746808005 16822831 C1CCC(C1)NC(=O)C2=C(N3C=CSC3=NC2=O)O 1 0.891 3 3 0 -14.4873061666324 16822821 COCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 1.717 2 6 0 -17.0210284022035 16822818 CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.196 2 5 0 -15.6905167918547 16822756 CC(C(=O)N1CCN(CC1)C2=NN=C(C=C2)N3CCOCC3)OC4=CC=CC=C4 1 1.263 5 3 0 -10.3890458049754 16822713 CC1=CC(=CC=C1)CSC2=C(C=NC(=O)N2)C 1 3.431 2 1 -7.62320889590794 16822714 CC1=C(NC(=O)N=C1)SCC2=CC=CC=C2F 1 3.151 2 1 -9.89345295940719 16822716 CC1=CC=C(C=C1)CSC2=C(C=NC(=O)N2)C 1 3.431 2 1 -8.2149875775039 16822790 C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CO4 1 1.548 3 7 0 -5.39758931457976 16822778 C1CC2=CC=CC=C2N(C1)CC3=CC(=O)C(=CO3)OCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-] 1 2.527 3 6 0 -16.6431335578836 16822759 CCN1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(O4)Br 1 1.525 6 2 0 -4.26055653854945 16822728 CC1=CC=CC=C1CSC2=C(C=NC(=O)N2)C 1 3.431 2 1 -10.8878929364375 16822730 CC1=C(NC(=O)N=C1)SCC2=CC(=CC=C2)C(F)(F)F 1 3.888 2 1 -5.16352782910938 16822731 CC1=C(NC(=O)N=C1)SCC2=CC=C(C=C2)C(F)(F)F 1 3.888 2 1 -4.4309240958378 16822733 CC1=C(NC(=O)N=C1)SCC2=CC(=CC=C2)[N+](=O)[O-] 1 2.84 3 3 -11.648663263634 16822751 CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3 1 3.109 4 3 0 -22.4771398420937 16822750 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3 1 2.647 4 3 0 -17.6080842451367 16822739 C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=C(C=CC(=C4)Cl)Cl 1 3.744 4 3 0 2.80963170610432 16822738 C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)Cl 1 3.744 4 3 0 1.2388117172596 16822633 COC1=CC=CC(=C1)NC(=O)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CC=C3 1 2.061 3 5 0 -18.8413329386347 16822632 COC1=CC=C(C=C1)CNC(=O)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CC=C3 1 2.068 3 5 0 -18.7322357651511 16822501 CC(C(=O)N1CCC2(CC1)CC(=O)C3=CC=CC=C3O2)OC4=CC=CC=C4 1 2.698 1 4 -13.0965865916595 16822498 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C3CCS(=O)(=O)C3 1 1.037 2 5 0 -31.2466329978177 16822497 CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 0.785 2 5 0 -28.4552589360229 16822475 COC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CN=CC=C3)OC 1 0.495 3 5 0 -15.8409804475237 16822474 COC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=CS3)OC 1 1.432 2 5 0 -14.2126939880396 16822461 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 0.585 3 6 0 -15.711474743778 16822460 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.204 2 6 0 -15.595406487214 16822459 COC1=CC=C(C=C1)S(=O)(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.448 2 6 0 -11.3864639239552 16822458 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)NS(=O)(=O)C4=CC=C(C=C4)F 1 1.67 2 5 0 -10.2616206893458 16822455 CC1=CC=C(C=C1)S(=O)(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.95 2 5 0 -10.9734977148111 16822454 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)NS(=O)(=O)C4=CC=CC=C4 1 1.464 2 5 0 -11.8695073540472 16822450 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)NS(=O)(=O)C3=CN=CC=C3 1 1.192 3 3 0 -10.4740521790718 16822449 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)NS(=O)(=O)C3=CC=CS3 1 2.129 2 3 -8.84576571958779 16822448 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 2.083 2 4 -11.9302050995309 16822445 C1C(CN(C1=O)C2=CC=C(C=C2)F)NS(=O)(=O)C3=CN=CC=C3 1 0.733 3 3 0 -11.5841738441934 16822440 C1C(CN(C1=O)C2=CC(=CC=C2)F)NS(=O)(=O)C3=CN=CC=C3 1 0.733 3 3 0 -10.6522357415782 16822439 C1C(CN(C1=O)C2=CC(=CC=C2)F)NS(=O)(=O)C3=CC=CS3 1 1.67 2 3 0 -9.02394928209413 16822438 C1C(CN(C1=O)C2=CC(=CC=C2)F)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.778 3 5 0 -9.48348345046677 16822245 CCOC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)C3=CC=CC4=CC=CC=C43 1 3.216 2 3 -7.25699564230404 16822434 CCOC1=CC=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CN=CC=C3 1 0.86 3 4 0 -13.4752402305108 16822433 CCOC1=CC=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=CS3 1 1.797 2 4 0 -11.8469537710268 16822428 COC1=CC=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CN=CC=C3 1 0.511 3 4 0 -12.7090170788028 16822427 COC1=CC=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=CS3 1 1.448 2 4 0 -11.0807306193187 16822419 COC1=CC=CC(=C1)N2CC(CC2=O)NS(=O)(=O)C3=CN=CC=C3 1 0.511 3 4 0 -12.11304859556 16822418 COC1=CC=CC(=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=CS3 1 1.448 2 4 0 -10.484762136076 16822414 CC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC(=C(C=C3)OC)C)C 1 3.121 2 4 -9.08901094248552 16822413 CC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CN=CC=C3)C 1 1.5 3 3 0 -12.1743638051179 16822412 CC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=CS3)C 1 2.437 2 3 -10.5460773456339 16822411 CC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C 1 1.771 3 4 0 -13.7465849821411 16822410 CC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)C)C 1 2.391 2 4 -13.630516725577 16822409 CC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=C(C=C3)OC)C 1 2.634 2 4 -9.42157416231825 16822400 CC1=CC=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CN=CC=C3 1 1.014 3 3 0 -12.2960508696586 16822399 CC1=CC=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=CS3 1 1.951 2 3 0 -10.6677644101746 16822395 CC1=C(C=CC(=C1)S(=O)(=O)NC2CC(=O)N(C2)C3=CC=CC=C3)OC 1 2.148 2 4 -8.99662833804382 16822394 C1C(CN(C1=O)C2=CC=CC=C2)NS(=O)(=O)C3=CN=CC=C3 1 0.528 3 3 0 -12.6547482913256 16822393 C1C(CN(C1=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3 1 1.465 2 3 0 -11.0264618318416 16822356 CC1=C(C=C(C=C1)C(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-] 1 2.142 3 6 0 -13.8673828372599 16822355 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 2.142 3 6 0 -11.7662547176169 16822342 CCOC1=CC=C(C=C1)C(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 2.094 2 5 0 -11.1720945399231 16822022 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CNC(=O)NC3=O 1 0.381 4 4 0 -9.15892828134654 16822073 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NN=C(O2)C3=CC(=CC(=C3)OC)OC 1 2.534 3 6 0 -12.3186251468575 16822083 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F.Cl Cl- 1 1.212 3 4 0 -12.8337062247572 16822081 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CS(=O)(=O)C3=CC=CC=C3.Cl Cl- 1 1.007 3 4 0 -14.4415928894586 16821943 CC(=O)C1=CC(=CC=C1)NC(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.409 3 5 0 -12.7987653425158 16821894 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(O3)C4=CC=C(C=C4)Br 1 2.364 4 4 0 -10.6499511997116 16821863 CC1=CC(=C(C=C1)C)C2=NN=C(O2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 3.053 3 4 0 -11.1177311923956 16821628 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 2.032 3 7 0 -15.4091508007264 16821487 CC1=C(N2C(=NC1=O)NN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)C 1 1.867 5 4 0 -24.286543777248 16821480 CC1=C(N2C(=NC1=O)NN=C2SCC(=O)NC3=CC4=C(C=C3)OCCO4)C 1 1.878 5 4 0 -23.1180969335036 16821466 CC1=C(N2C(=NC1=O)NN=C2SCC(=O)NC3=CC=CC4=CC=CC=C43)C 1 3.001 5 2 0 -19.6925739697796 16821464 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NNC3=NC(=O)C(=C(N32)C)C 1 0.93 6 4 0 -20.4131142783783 16821462 CC1=C(N2C(=NC1=O)NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C 1 2.351 6 2 0 -16.0480765994343 16821461 CC1CCN(CC1)C(=O)CSC2=NNC3=NC(=O)C(=C(N32)C)C 1 1.89 5 2 0 -22.8212944536341 16821460 CC1=C(N2C(=NC1=O)NN=C2SCC(=O)N3CCOCC3)C 1 0.409 5 3 0 -21.7004812995053 16821459 CC1=C(N2C(=NC1=O)NN=C2SCC(=O)N3CCCCCC3)C 1 2.095 5 2 0 -20.1321848497297 16821458 CC1=C(N2C(=NC1=O)NN=C2SCC(=O)N3CCCC3)C 1 1.182 5 2 0 -19.7777163355616 16821434 CCCC1=CC(=O)N=C2N1C(=NN2)SCC(=O)N3CC(OC(C3)C)C 1 1.698 5 3 0 -24.9873667328334 16821418 CCCC1=CC(=O)N=C2N1C(=NN2)SCC(=O)NC3=NOC(=C3)C 1 1.764 6 3 0 -28.726760283321 16821416 CCCC1=CC(=O)N=C2N1C(=NN2)SCC(=O)NC3=NC=CS3 1 1.623 6 2 0 -21.4377810655474 16821414 CCCC1=CC(=O)N=C2N1C(=NN2)SCC(=O)NC3CCCCC3 1 2.907 5 2 0 -23.0517741581246 16821413 CCCC1=CC(=O)N=C2N1C(=NN2)SCC(=O)NC3CCCC3 1 2.451 5 2 0 -22.6973056439565 16821405 CC1CN(CC(O1)C)C(=O)CSC2=NNC3=NC(=O)C=C(N32)C 1 0.718 5 3 0 -25.1466899656325 16821174 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=O)C3=CNNC3=N2 1 0.332 6 4 0 -13.5033054902048 16819905 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)NC3CC(=O)N(C3)C4=CC=C(C=C4)Cl 1 1.454 4 4 0 -10.3835139541665 16819555 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CN=CC=C4)C 1 2.957 6 0 2.16814886242575 16819498 C1=CC(=C(C(=C1)F)C(=O)NCC2=NN=C(O2)SCC(=O)NCC3=CC=C(C=C3)F)F 1 2.532 4 3 0 -24.6065967191998 16817186 C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCC4CCCO4 1 2.856 4 3 0 -28.64110960535 16817157 COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCC4CCCO4 1 2.109 4 4 0 -25.3993508437142 16817153 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2CCOC)NC4=CC=CC=C43 1 2.165 5 5 0 -18.4917753837967 16817151 CC1CN(CC(O1)C)C(=O)CSC2=NC3=C(C(=O)N2CCOC)NC4=CC=CC=C43 1 2.399 4 4 0 -22.3854858299241 16817134 CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCC4CCCO4 1 2.588 4 3 0 -22.8492025808086 16816992 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C53 1 4.14 5 5 0 -29.365648151955 16816985 COC1=C(C=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCC5CCCO5)OC 1 3.783 4 5 0 -28.5002817110359 16816977 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C53 1 4.122 5 5 0 -23.2322127898198 16816935 CN(C1=CC=CC=C1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C53 1 5.207 4 4 0 -20.3613525253182 16816665 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4OC)NC5=CC=CC=C53 1 4.156 5 4 0 -26.6703730230829 16816658 COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCC5CCCO5 1 3.8 4 4 0 -25.9448444863854 16816650 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4OC)NC5=CC=CC=C53 1 4.138 5 4 0 -20.6767755651693 16816557 C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4F)NC5=CC=CC=C53 1 4.022 4 3 0 -22.9845083186829 16816549 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4F)NC5=CC=CC=C53 1 4.36 5 3 0 -17.7164393974668 16816389 CCC(C(=O)O)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(O2)Br 1 1.176 4 5 0 -16.8726418360491 16816388 CC(C(=O)O)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(O2)Br 1 0.652 4 5 0 -14.8419366132878 16816177 CCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F 1 2.713 5 3 0 -15.5332293394436 16815884 COC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F 1 1.549 5 4 0 -18.1850542548993 16815770 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NC3=NN=C(S3)SCC4=CN=CC=C4 1 1.876 5 2 0 -17.8309789723956 16815707 C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C=NC4=C(C3=O)N=NN4C5=CC(=CC=C5)F 1 1.896 6 4 0 -12.0044889756802 16815581 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F 1 2.952 2 5 0 -13.394325573994 16815476 CC(=O)C1=CC=C(C=C1)OCC(CN2CCC3=CC=CC=C3C2)O.Cl Cl- 1 2.839 1 3 -11.6476656724167 16815279 COC1=C(C=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4)OC 1 1.268 3 7 0 -16.7526138419515 16815264 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CNC(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl 1 2.171 3 5 0 -11.5542523027897 16814192 CN1C2=C(C(=NC(=N2)C3=CC=CO3)SCC(=O)NC4=CC(=CC=C4)F)C(=O)N(C1=O)C 1 2.674 5 4 0 -12.2033230595255 16814136 CCCC1=NC2=C(C(=N1)SCC(=O)NC3=NN=C(S3)CC)C(=O)N(C(=O)N2C)C 1 1.934 7 3 0 -27.0939387185221 16814050 CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C 1 2.102 3 5 0 -24.913858198655 16813655 CC1=CC(=NO1)NC(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl 1 2.173 4 4 0 -20.4391835714779 16813652 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)F 1 1.413 4 5 0 -13.7208728299215 16813643 CC1=CC=C(C=C1)CNC(=O)CSC2=NC=CN(C2=O)C3=CC(=C(C=C3)OC)Cl 1 2.975 3 3 -15.5183377631956 16813637 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)N 1 1.483 3 4 0 7.89519333072445e-002 16813582 CC1=CC2=NC(=NC(=O)N2C=C1)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F 1 4.622 5 2 0 -9.47246712120126 16813580 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F 1 1.989 3 7 0 -10.0976995995207 16813576 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C=CS2)C(=O)NC 1 1.721 2 4 0 -19.2471063164021 16813569 CC1CN(CC(O1)C)C(=O)CSC2=NNC3=NC(=O)C(=C(N32)C)C 1 1.164 5 3 0 -24.2357817758706 16813565 CCCC1=CC(=O)N=C2N1C(=NN2)SCC(=O)NC3=CC=CC(=C3)NC(=O)C 1 1.746 6 3 0 -22.4851553707852 16813564 CCCC1=CC(=O)N=C2N1C(=NN2)SCC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.411 5 4 0 -23.8696818904664 16813558 CN1C(=O)C(=CN=C1SCC(=O)NCC2CCCO2)C(=O)NC3=CC(=CC=C3)OC 1 0.807 4 5 0 -23.1909757758 16813557 CN1C(=O)C(=CN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)F 1 2.022 4 5 0 -19.5351688404835 16813555 CC1=CC=C(C=C1)CNC(=O)CSC2=NC=C(C(=O)N2C)C(=O)NC3=CC=CC=C3 1 2.534 4 3 0 -18.708446067097 16813553 CN(C)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)NC3=CC=CC=C3OC 1 2.913 5 3 0 -13.8256676621492 16813487 COC1=CC(=C(C=C1)NC(=O)CSC2=NN3C(=NN=C3C4=CC=CC=N4)C=C2)OC 1 2.74 6 3 0 -15.3169085652509 16813532 CCOC1=CC=CC=C1NC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 1.777 3 6 0 -21.6593160342342 16813530 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.457 4 5 0 -20.5232668802047 16813521 COC1=CC=C(C=C1)C(=O)NCCC2=NN=C3N2N=C(C=C3)SCC(=O)N4CCCC4 1 1.877 6 3 0 -22.4140899368889 16813482 CC1=CC=CC(=C1)C2=NC3=C(CC4=C(O3)C(=NC=C4CO)C)C(=N2)SCC(=O)N5CCOCC5 1 2.963 4 4 0 -6.34467829965181 16812948 CN1CCN(CC1)C(CNC(=O)C(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)F 1 2.003 4 4 0 -17.3640522178779 16812947 CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)N3CCN(CC3)C 1 3.599 3 2 -8.04446245147371 16812946 CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Br)N3CCN(CC3)C 1 3.683 3 2 -9.50112219657515 16812945 CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)F)N3CCN(CC3)C 1 3.14 3 2 -9.15458411659528 16812944 CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC(=C(C=C2)OC)OC)N3CCN(CC3)C 1 2.902 3 4 0 -15.3510371286209 16812942 CN1CCN(CC1)C(CNS(=O)(=O)C2=C(C=CC(=C2)OC)OC)C3=CC=C(C=C3)F 1 2.621 3 4 0 -11.3719604471295 16812940 CN1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)F 1 2.638 3 3 -9.56755032573942 16812927 CN1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)OC 1 2.638 3 3 -9.56755032573942 16812912 CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)N(CCO3)S(=O)(=O)C4=CC=CS4 1 2.181 2 5 0 -16.6270593854812 16812908 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC23CCN(CC3)S(=O)(=O)C4=CC=CS4 1 2.181 2 5 0 -15.0574871371276 16812898 CC1=CC(=C(C=C1)OC)S(=O)(=O)NCC(C2=CC=CO2)N3CCC4=CC=CC=C4C3 1 3.908 2 4 -13.2899373606039 16812897 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC(C2=CC=CO2)N3CCC4=CC=CC=C4C3 1 3.405 2 5 0 -14.0380235904356 16812894 C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4 1 3.63 3 4 0 -15.424066991572 16812892 C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CO4 1 3.63 3 4 0 -16.8573286071741 16812891 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(C2=CC=CO2)N3CCC4=CC=CC=C4C3 1 3.686 2 5 0 -17.2224441367585 16812890 C1CN(C2=CC=CC=C21)C(CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4 1 3.718 3 4 0 -15.2566952858017 16812889 C1CN(C2=CC=CC=C21)C(CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CO4 1 3.718 3 4 0 -16.6899569014039 16812825 CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)N=CS5 1 3.295 4 2 -8.13361475666646 16812828 COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)N=CS5 1 2.929 4 3 0 -5.64476949286935 16812829 CC1=C2C(=C(C=C1)OC)N=C(S2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)N=CS5 1 3.432 4 2 -4.94359931733277 16812832 C1CN(C2=CC=CC=C21)C(=O)COC3=COC(=CC3=O)CN4CCN(CC4)C5=CC=CC=C5 1 2.34 3 4 0 -7.70511874152081 16812834 COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC(=O)NC4CCCC4 1 1.868 3 5 0 -5.18678142197212 16812835 COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC(=O)NC4CCCC4 1 1.868 3 5 0 -6.96777933644617 16812842 C1CN(CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC(=O)NC4=CC(=CC=C4)Cl 1 2.752 2 4 -7.75943888014759 16812843 C1CN(CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC(=O)NC4=CC=C(C=C4)Cl 1 2.752 2 4 -8.58891521974144 16812850 CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.065 2 6 0 -19.2476809893194 16812807 C1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)C4CC(=O)N(C4)C5=CC=C(C=C5)F 1 2.633 4 2 -9.87221827241344 16812806 C1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5 1 2.428 4 2 -11.0138114900333 16812791 C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)C(=O)NCCCO)C3=CC4=C(C=C3)OCO4 1 1.604 4 5 0 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4 2 -11.5682047134095 16806772 CCN1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CN=CC=C3 1 2.311 4 2 -13.0432761505207 16806771 CCN1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)C)C3=CN=CC=C3 1 2.133 4 2 -14.8652748411075 16806770 CCN1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)Br)C3=CN=CC=C3 1 2.395 4 2 -14.4999358956221 16806769 CCN1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)F)C3=CN=CC=C3 1 1.853 4 2 0 -14.1533978156423 16806768 CCN1CCN(CC1)C(CNS(=O)(=O)C2=CC(=C(C=C2)OC)OC)C3=CN=CC=C3 1 1.614 4 4 0 -20.3498508276679 16806767 CN1CCN(CC1)C(CNS(=O)(=O)C2=CC(=C(C=C2)OC)OC)C3=CN=CC=C3 1 1.265 4 4 0 -18.743194924217 16806519 CC(C(C1=CC=CS1)N2CCOCC2)NC(=O)C3=CC=C(C=C3)C(C)(C)C 1 4.101 2 2 -5.74111104025695 16806474 CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3COC4=CC=CC=C4O3.Cl Cl- 1 1.751 3 4 0 -7.60341257907409 16806371 CC(C)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3CCCCC3.Cl Cl- 1 2.818 3 2 -7.28319665673528 16806362 CC(C)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(O3)[N+](=O)[O-].Cl Cl- 1 1.77 4 5 0 -10.4506514372171 16806361 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(O3)[N+](=O)[O-].Cl Cl- 1 1.043 4 5 0 -7.89832166704506 16806359 CC(C)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CO3.Cl Cl- 1 1.751 3 3 0 -10.5931343866656 16806358 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CO3.Cl Cl- 1 1.024 3 3 0 -8.04080461649358 16806344 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(SC(=C3)Cl)Cl.Cl Cl- 1 2.209 3 2 -6.75251748549001 16806340 CC(C)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC3=CC=CC=C3.Cl Cl- 1 2.39 3 2 -13.217080677341 16806339 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC3=CC=CC=C3.Cl Cl- 1 1.664 3 2 0 -10.664750907169 16806338 CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC3=CC=CC=C3.Cl Cl- 1 2.013 3 2 -10.8410261902214 16806335 CC(C)C(=O)NC1=C(C2=C(S1)CN(CC2)CC3=CC=CC=C3)C(=O)N.Cl Cl- 1 2.678 3 2 -11.7421515190694 16806307 CC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N.Cl Cl- 1 2.953 3 3 -11.7510691292208 16806301 CC(C)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=CC=CC=C4C=C3OC.Cl Cl- 1 3.247 3 3 -11.0838269399293 16806298 CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=CC=CC=C4C=C3OC.Cl Cl- 1 2.87 3 3 -8.70777245280968 16806297 CC(C)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=CC=CC=C4C=C3.Cl Cl- 1 3.264 3 2 -8.79594905678055 16806296 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=CC=CC=C4C=C3.Cl Cl- 1 2.538 3 2 -6.24361928660854 16806285 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4.Cl Cl- 1 3.033 3 3 -10.5958021967281 16806187 CC(C)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CCCCC3.Cl Cl- 1 3.671 2 3 -12.0076676220884 16806025 CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)OC)N3CCN(CC3)C 1 2.919 3 3 -10.2794273512047 16806022 CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CO2)N3CCC4=CC=CC=C43 1 4.013 2 3 -11.6532755541311 16806021 C1CN(C2=CC=CC=C21)C(CNS(=O)(=O)C3=CC=CC=C3)C4=CC=CO4 1 3.527 2 3 -12.7176981903797 16805991 CC1=CC=CN2C1=NC(=NC2=O)SCC(=O)NC3CCCCC3 1 2.943 4 2 -16.8735511507877 16805989 CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC(=O)N4C=CC(=CC4=N3)C)C5=CC=CS5 1 4.902 5 2 0 -10.3726407410003 16805986 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CCN(CC)CCCN1C2=C(CCC2)C(=NC1=O)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 5.427 4 3 0 -13.5305748870639 16800020 CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=C(C=CC(=C2)F)F)N3CCN(CC3)C 1 3.346 3 2 -11.1641486028849 16799952 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)C.Cl Cl- 1 3.997 3 3 -8.15814746731036 16799950 CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)CS(=O)(=O)C3=CC=CC=C3.Cl Cl- 1 3.511 3 3 -8.40774241433662 16799917 CS(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 1.607 3 6 0 -13.8320296680042 16799888 CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)NS(=O)(=O)C4=C(C=C(C=C4)F)F 1 3.51 3 3 -7.54922940284126 16799885 CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)F)F 1 3.51 3 3 -9.41056125353222 16799813 C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC=CC=C3Cl)C(=O)C4=CC=CO4 1 2.318 2 5 0 -3.38987273792327 16799812 CC(C1=CC=CC=C1)OC2=COC(=CC2=O)CN3CCN(CC3)C(=O)C4=CC=CO4 1 2.031 2 5 0 -6.02273563240594 16799806 CCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CS(=O)(=O)C3=CC=CC=C3 1 3.589 2 5 0 -13.715335464048 16799797 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)C(=O)C4=C(C=CC(=C4)Br)Cl 1 2.356 5 2 0 -3.75521447151561 16799796 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)C(=O)C4=C(C=C(C=C4)Cl)Cl 1 2.272 5 2 0 -2.09527038125364 16799795 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)C(=O)C4=CC(=CC=C4)Br 1 1.691 5 2 0 -4.05361979243493 16799752 CC(C)N(C(C)C)C(=O)CN1CCC(CC1)C2=NC3=CC=CC=C3N2 1 2.951 4 1 -4.46653743095677 16799751 CC(C)NC(=O)CN1CCC(CC1)C2=NC3=CC=CC=C3N2 1 2.018 4 1 -10.9763339086577 16799580 CC1=CC(=CC=C1)CC(=O)NC2CCS(=O)(=O)C2 1 1.066 1 3 0 -12.4167077170541 16799579 C1CS(=O)(=O)CC1NC(=O)CC2=CC=C(C=C2)F 1 0.786 1 3 0 -12.9852100697069 16799577 C1CS(=O)(=O)CC1NC(=O)C2=CC(=CC=C2)Cl 1 1.21 1 3 0 -10.0357264416956 16799573 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)NS(=O)(=O)C4=CC=CC=C4F 1 1.67 2 5 0 -13.2209648538264 16799572 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)NS(=O)(=O)C4=C(C=CC(=C4)F)F 1 1.875 2 5 0 -12.2186896657622 16799560 CCN1C2=C(C=CC=C2SC1=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F)OC 1 3.728 2 4 -8.82728719055998 16799559 CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F 1 1.349 3 4 0 -23.4468171344141 16799546 CCN1C2=C(C=CC=C2SC1=NC(=O)CS(=O)(=O)C3=CC=CC=C3)OC 1 3.523 2 4 -10.5325680817862 16799519 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)C)C#N 1 1.878 3 4 0 -27.8622586963836 16799516 CCN1C2=C(C=CC=C2SC1=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)C)OC 1 4.009 2 4 -9.53916421602523 16799426 CS(=O)(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)COC3=CC=C(C=C3)Cl 1 3.508 3 4 0 -3.66503903986516 16799425 CS(=O)(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3 1 2.844 3 4 0 -6.07266596894556 16799420 CS(=O)(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 2.403 3 4 0 -4.35754099922016 16799401 CC1=CC=CN2C1=NC(=C(C2=O)NC(=O)C3=CC=C(O3)Br)C 1 1.173 3 3 0 -14.9609308339694 16799398 CC1=CC=CN2C1=NC(=C(C2=O)NC(=O)C3=CC=CC4=CC=CC=C43)C 1 2.118 3 2 -12.3562034253387 16799397 CC1=CC=CN2C1=NC(=C(C2=O)NC(=O)C3=CC4=C(C=C3)OCO4)C 1 0.978 3 4 0 -16.8508119062724 16799383 CC1=CC2=NC(=C(C(=O)N2C=C1)NC(=O)C3=CC=C(O3)Br)C 1 1.173 3 3 0 -11.8875208721177 16799377 CC1=CC2=NC(=C(C(=O)N2C=C1)NC(=O)COC3=CC=CC=C3)C 1 1.045 3 3 0 -12.3496682713998 16799373 CC1=CC2=NC(=C(C(=O)N2C=C1)NC(=O)C3=CC=CC4=CC=CC=C43)C 1 2.118 3 2 -9.28279346348698 16799353 CC1=C(C(=O)N2C=CC=CC2=N1)NC(=O)C3=CC=CC4=CC=CC=C43 1 1.672 3 2 0 -11.7346924224778 16799322 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=NN2C3=CC=C(C=C3)F 1 0.73 6 3 0 -15.1807298786204 16799317 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=NN2C3=CC=C(C=C3)Cl 1 1.189 6 3 0 -14.0706082134988 16799315 C1=CC(=CC=C1N2C(=NN=N2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-])F 1 1.321 6 4 0 -14.2182802142559 16799311 C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)NCC3=NN=NN3C4=CC=C(C=C4)F 1 1.384 6 2 0 -20.2571935641922 16799306 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=NN=NN3C4=CC=C(C=C4)F 1 3.118 6 2 0 -18.6745471691056 16799259 C1=CC(=CC=C1N2C(=NN=N2)CNC(=O)C3=CC=C(O3)Br)Cl 1 2.329 5 2 0 -14.5638514830315 16799208 COC1=CC=C(C=C1)N2C(=NN=N2)CNC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)Cl 1 1.621 6 3 0 -18.7337191659973 16799206 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)NCC3=NN=NN3C4=CC=C(C=C4)OC 1 2.01 6 3 0 -10.6589933864999 16799205 COC1=CC=C(C=C1)N2C(=NN=N2)CNC(=O)C(=O)C3=CNC4=CC=CC=C43 1 1.864 6 3 0 -13.3216124089949 16799191 COC1=CC=C(C=C1)N2C(=NN=N2)CNC(=O)C3=CC4=CC=CC=C4C=C3 1 2.593 5 2 0 -12.9658062451714 16799177 COC1=CC=C(C=C1)N2C(=NN=N2)CNC(=O)C3=CC4=C(C=C3)OCO4 1 1.453 5 4 0 -17.9660826318081 16799172 CC1=C(C=C(C=C1)N2C(=NN=N2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-])C 1 2.088 6 4 0 -13.2785718638263 16799168 CC1=C(C=C(C=C1)N2C(=NN=N2)CNC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F)C 1 2.151 6 2 0 -17.7792892460798 16799150 CC1=CC(=C2C(=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC4=C(C=C3)OCCO4)C.Cl Cl- 1 4.405 3 3 -5.611561647726 16798834 COC1=CC=C(C=C1)C(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC=CC=C3Cl 1 1.909 3 5 0 -15.3235627843844 16798833 COC1=CC=C(C=C1)C(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC=CC=C3OC 1 1.228 3 6 0 -16.3183745452016 16798811 CC(C)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCS(=O)(=O)C3=CC=CC=C3.Cl Cl- 1 2.858 3 3 -27.5440751151198 16798809 CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)CCS(=O)(=O)C3=CC=CC=C3.Cl Cl- 1 2.457 2 5 0 -22.4082577529318 16798778 COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)N)OC.Cl Cl- 1 2.581 4 2 0.877427888590502 16798743 CCC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)N 1 2.477 6 4 0 -25.4111726622105 16798728 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)OC)CS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.645 2 7 0 -23.7780826488552 16798701 CCOC1=CC(=C(C=C1)OCC)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC(=CC(=C3)C)C)N 1 2.877 6 4 0 -21.6442116145497 16798700 CC1=CC(=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N)C 1 1.987 6 4 0 -23.2927270112928 16798699 CC1=CC(=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=C(C=CC(=C3)Cl)OC)N)C 1 2.86 6 3 0 -18.0883492615029 16798689 CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N)C 1 2.473 6 4 0 -24.1290785556363 16798682 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)OC)O)OC)CS(=O)(=O)C3=CC=C(C=C3)F 1 2.17 2 8 0 -26.3498992972447 16798289 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3CCCCC3.Cl Cl- 1 2.091 3 2 -4.73086688656328 16798281 C1CN(CC2=C1C(=C(S2)NC(=O)CC3=CC=CC=C3)C(=O)N)CC4=CC=CC=C4.Cl Cl- 1 3.248 3 2 -10.631896504456 16798278 CCC(=O)NC1=C(C2=C(S1)CN(CC2)CC3=CC=CC=C3)C(=O)N.Cl Cl- 1 2.215 3 2 -8.48425748800832 16798265 C1CN(CC2=C1C(=C(S2)NC(=O)C3=C(C=CC=C3F)F)C(=O)N)CC4=CC=CC=C4.Cl Cl- 1 3.624 3 2 -9.54006692310627 16798261 CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=CC=CC=C4C=C3.Cl Cl- 1 2.886 3 2 -6.41989456966094 16798258 CC(C)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4.Cl Cl- 1 3.76 3 3 -13.1481319669001 16798257 CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4.Cl Cl- 1 3.382 3 3 -10.7720774797805 16798256 COC1=C(C(=CC=C1)OC)C(=O)NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N.Cl Cl- 1 3.18 3 4 0 -10.1790721281233 16798225 C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)N)CC4=CC=CC=C4.Cl Cl- 1 3.213 3 2 -9.57427762598017 16798214 CC(C)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CC3=CC=CC=C3.Cl Cl- 1 3.267 3 1 -20.0636685963258 16798213 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0.745 2 3 0 -9.13978716396095 16745888 COC1=CC(=CC(=C1OC)OC)CCCN2[C@H](CNC(=O)C2=O)CCCCN 1 1.362 3 5 0 -10.0455760486007 16745887 C1[C@@H](N(C(=O)C(=O)N1)CCC2=CC=CC3=CC=CC=C32)CCCCN 1 1.863 3 2 0 -4.17671094466436 16745886 C1CCC(CC1)CN2[C@H](CNC(=O)C2=O)CCCCN 1 1.239 3 2 0 -7.18880555756512 16745885 C1[C@@H](N(C(=N1)N)CCC2=CC(=CC=C2)F)CC3=CC=C(C=C3)O 1 3.25 3 1 6.52863703400988 16745884 CCC(C)[C@H]1CN=C(N1CCCC2=CC(=C(C(=C2)OC)OC)OC)N 1 3.437 3 3 -6.66296618252342 16745883 CCC(C)[C@H]1CN=C(N1CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N 1 4.914 3 0 -0.715809987024446 16745882 COC1=CC=C(C=C1)/C=C(/C(=O)NN=CC2=CN=CC=C2)\NC(=O)C3=CC=CC=C3 1 2.473 4 3 0 -17.1137236213354 16745881 CC([C@H]1CNC(=O)C(=O)N1CCCC2=CC(=C(C(=C2)OC)OC)OC)O 1 0.93 2 6 0 -8.80991516289967 16745880 C#CCO[C@@H]1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4 1 2.017 5 4 0 -11.901661844337 16745879 C1CC1(CN2[C@@H](CNC(=O)C2=O)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5 1 3.72 2 2 -6.60093301991155 16745878 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=C/C=C/C3=CC=CC=C3 1 3.59 3 2 -3.25522578130728 16745877 C1=CC=C(C=C1)NN=CC(=NNC2=CC=CC=C2)[C@H]([C@@H](CO)O)O 1 1.825 4 3 0 -0.806030403536503 16745876 CN1C2=C(C(=O)/C(=C\NCC3=CC=CC=C3)/C1=O)C(=O)N(C(=O)N2C)C 1 9.5e-002 4 4 0 -11.0283363138428 16745875 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C[N+]3=C4CCCN4C(=C3)C5=CC=CC=C5.[Cl-] Cl- 1 4.889 4 1 2.75225515207888 16745874 CCCNC(=O)C1=CC2=C(C=C1)C(=O)C(=C(N2)C3=CC=C(C=C3)F)O 1 2.71 2 3 -11.7163255828631 16745873 CCCNC(=O)C1=CC2=C(C=C1)C(=O)C(=C(N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])O 1 3.063 3 5 0 -14.7682779511468 16745872 CCCNC(=O)C1=CC2=C(C=C1)C(=O)C(=C(N2)C3=CSC=C3)O 1 2.166 2 3 -13.1767871080314 16745871 CCCCOC(=O)C1=CC=C(C=C1)N/N=C\2/C(=C(C(=O)NC2=O)C#N)C 1 2.811 4 4 0 -13.5955231868197 16745870 CC(=NOCC1=NC2=CC=CC=C2C(=O)N1N/C=C/3\C=C(C=CC3=O)[N+](=O)[O-])C4=CC=CC=C4 1 2.108 5 5 0 -8.49784015935574 16745869 CN1C=NC(=C1SCC(=O)NN)[N+](=O)[O-].Cl Cl- 1 -0.616 5 3 0 -7.89825426686464 16745868 CCCNC(=O)C1=CC2=C(C=C1)C(=O)C(=C(N2)C3=CC=C(C=C3)OC)O 1 2.488 2 4 -12.8411688174725 16745865 CC1=CC=C(C=C1)C2=C(C(=O)C3=C(N2)C=C(C=C3)C(=O)N)O 1 1.912 2 3 0 -7.20751832001106 16745864 CCCNC(=O)C1=CC2=C(C=C1)C(=O)C(=C(N2)C3=CC=C(C=C3)C)O 1 2.99 2 3 -12.4282026083284 16745863 C1=CC(=CC=C1C2=NC3=C(N2CCCN4C5=C(C=C(C=C5)C(F)(F)F)N=C4C6=CC=C(C=C6)F)C=CC(=C3)C(=O)O)N 1 6.864 5 2 0 5.84564100202193 16745862 COC1=CC=C(C=C1)C2=NC3=C(N2CCCN\4C5=C(C=C(C=C5)C(F)(F)F)N/C4=C\6/C=CC(=O)C(=C6)OC)C=CC(=C3)C(=O)O 1 6.29 4 5 0 1.99736681554827 16745861 CCCNC(=O)C1=CC2=C(C=C1)C(=O)C(=C(N2)C3=CC(=CC=C3)Br)O 1 3.252 2 3 -10.4272899492423 16745860 CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)C(=C(N3)C4=CC=C(C=C4)C)O 1 4.187 2 3 -11.5930817088685 16745859 COC1=CC=C(C=C1)C2=NC3=C(N2CCCN4C5=C(C=C(C=C5)C(=O)O)N=C4C6=CC=CC=C6)C=CC(=C3)C(F)(F)F 1 7.389 4 3 0 4.66565071966728 16745856 COC1=CC=C(C=C1)C2=NC3=C(N2CCCN4C5=C(C=C(C=C5)C(=O)O)N=C4C6=CC=C(C=C6)N)C=CC(=C3)C(F)(F)F 1 6.643 5 3 0 4.99957143347538 16745855 CCCNC(=O)C1=CC2=C(C=C1)C(=O)C(=C(N2)C)O 1 1.269 2 3 0 -15.1083706665282 16745854 CC1=CC=C(C=C1)C2=C(C(=O)C3=C(N2)C=C(C=C3)C(=O)NCCCN4C=CN=C4)O 1 1.922 4 3 0 -9.52366127089999 16745851 C1[C@H]2[C@@H](CS1(=O)=O)SC(=N2)NN=CC3=CC=CC=C3.Br Br- 1 1.773 3 2 0 -6.28914805041589 16745850 COC1=CC(=CC(=C1OC)OC)C2C\3=C(C(=O)N2CC4=CC=CO4)NN/C3=C/5\C=CC=CC5=O 1 1.286 3 6 0 -13.7898637516411 16745849 COC1=CC(=C(C=C1)CC2=C(NC(=O)NC2=O)[O-])OC.[NH4+] NH4+ 1 0.626 2 5 0 -8.61773759006385 16745848 CCN1C2=C(C=C(C=C2)C3=NNC(=O)CC3)/C(=C/NN=CC4=CC=C(C=C4)OC)/C1=O 1 1.549 5 3 0 -9.5496129420199 16745847 CC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3 1 1.081 4 3 0 -9.9373109853243 16745846 C1=CN=CC=C1NC(=O)CCCCCN.Cl Cl- 1 0.32 3 1 0 -8.33920565939662 16745845 C[C@@H](C1=NN=C(O1)SCC(=O)N)N.Cl Cl- 1 -1.076 4 2 0 -15.2560151759489 16745844 C1OC2=C(O1)C=C(C=C2)CC3=C(NC(=O)NC3=O)[O-].[NH4+] NH4+ 1 0.427 2 5 0 -11.7802725739334 16745843 CC1=CC=CN2C1=NC(=NC3=CC=CC=C3F)/C(=C\NO)/C2=O 1 1.348 4 2 0 -6.17524965020864 16745842 CC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C3=CC=CC=C3 1 0.269 6 3 0 -10.0708971627745 16745841 C1=CC=C2C(=C1)C3=C([C@H](C4=C(O3)C=C(C=C4)O)C5=C(OC6=CC=CC=C6C5=O)O)C(=O)O2 1 4.268 0 7 0 -1.67650626116546 16745840 C1CCC2=[N+](C=C(N2CC1)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Br.[Br-] Br- 1 6.731 2 0 7.84746285620291 16745839 CC1=C(C=C(C=C1)CC2C(=O)N/C(=C(/C#N)\C(=O)C)/S2)Cl 1 3.043 2 2 -8.87337455640336 16745838 COC1=C/C(=C/NNC(=O)C2=CC3=C(C=C2)N=CN3)/C=CC1=O 1 0.21 4 3 0 -4.87247311506875 16745837 COC1=CC=C(C=C1)C2C\3=C(C(=O)N2CC4=CC=CO4)NN/C3=C/5\C=CC=CC5=O 1 1.319 3 4 0 -11.0253440355666 16745835 CCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=NC=CC=N3)C4=CC=C(C=C4)Cl)/O 1 3.691 3 4 0 -2.7934804856231 16745834 CC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)S(=O)(=O)NC(=O)N)C3=CC=CC=C3 1 0.861 5 4 0 -11.0024411669546 16745833 COC1=CC=CC=C1/C=C/C=C2C(=O)N3C(=NC(=O)C(=N3)CC4=CC=CC=C4)S2 1 4.275 3 3 -7.38381527768316 16745832 C1CC1C2=CC(=NN2)C(=O)NN=C/C=C/C3=CC=CC=C3 1 2.819 4 1 -1.13486972594837 16745831 C1=CC2=NC=CN=C2C=C1C=NNC(=O)CCCCCN.Cl Cl- 1 1.003 5 1 0 -8.46261947664404 16745830 CN1CCN2C(C1)C3(CC4=C2C=CC(=C4)N)C(=O)NC(=O)NC3=O 1 -1.1e-002 5 3 0 -5.13926232947412 16745829 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)NC4=NC(=CS4)C5=CC=CC=C5.[Cl-] Cl- 1 4.889 4 1 2.75225515207888 16745828 CN1C2=C(C=[N+](C=C2N=N1)CC(=O)C3=CC4=CC=CC=C4C=C3)Br.[Br-] Br- 1 4.158 4 1 1.76088768851141 16745827 CCOC1=CC=C(C=C1)N2C(=CC(=O)NC2=O)[O-].[NH4+] NH4+ 1 0.839 2 4 0 -7.68547892152552 16745825 CC(=NNC1=N[C@H]2CS(=O)(=O)C[C@H]2S1)C3=CC=CC=C3.Br Br- 1 1.754 3 2 0 -9.05779224807418 16745824 COC1=CC=CC2=C1OC(=C2)C(=O)NC3=CC(=CC(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)OC 1 4.903 2 5 0 -2.65139532678284 16745823 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=CSC(=N3)NC4=CC=CC=C4 1 4.471 3 1 4.23185164357783 16745822 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C3=CC=NO3 1 3.573 3 3 -5.66931054654739 16745821 CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC(=O)N4CCNC4=O 1 2.916 6 3 0 -14.9625144825498 16745820 C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)Cl)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(F)(F)F 1 5.972 4 3 0 6.17873780290619 16745819 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C3=CSC(=N3)C4=CC=NC=C4 1 4.486 4 2 -2.80221960140247 16745818 COC1=CC(=CC(=C1)NC(=O)C2=CN=NC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.707 4 3 0 -4.88464510726189 16745817 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C3=NC=CN=C3N 1 2.747 5 2 0 -8.08412990583391 16745816 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=CC=CC=N3 1 4.981 3 1 0.577190108741247 16745815 COC1=CC(=CC(=C1)NC(=O)C2=CC(=NC=C2)N)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.967 4 3 0 -6.02914329379367 16745814 CN1C=CN=C1C(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)OC 1 2.825 4 3 0 -5.2248062008317 16745813 CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)OC)NC(=O)C(=O)C4=CNC5=CC=CC=C54)C(F)(F)F 1 4.884 5 4 0 -6.99048294751644 16745812 CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)OC)NC(=O)N4CCNC4=O)C(F)(F)F 1 2.841 6 4 0 -17.5499560833382 16745811 CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC(=O)C4=CC=NO4)C(F)(F)F 1 3.953 5 3 0 -9.32283245980402 16745810 CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC(=O)N4CCNC4=O)C(F)(F)F 1 3.343 6 3 0 -16.9958220486797 16745809 COC1=CC(=CC(=C1)NC2=CC=CC=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 4.479 3 2 -0.173243922287467 16745808 COC1=CC(=CC(=C1)NC(=O)C2=CSC(=N2)N)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.004 4 3 0 -4.24390310311419 16745807 C1=CC(=CC(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(F)(F)F)C3=CSC(=N3)NC4=CC=C(C=C4)Cl 1 5.972 4 3 0 8.2091067703531 16745806 COC1=CC(=CC(=C1)NC(=O)C2=CN=C(S2)N)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.867 4 3 0 -4.42698303093036 16745805 COC1=CC(=CC(=C1)NC(=O)C2=CN=C(C=C2)N)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.967 4 3 0 -5.92731733928517 16745804 COC1=CC(=CC(=C1)NC(=O)C2=CSC(=N2)C3=CC=NC=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F 1 3.983 4 3 0 -2.70640023912539 16745803 COC1=CC(=CC(=C1)NC(=O)C2=CN=C(O2)N)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.309 4 4 0 -3.26505350870556 16745802 COC1=CC(=CC(=C1)NC(=O)N2CCNC2=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.461 4 4 0 -13.8093368131455 16745801 C1=CC(=CC(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(F)(F)F)C3=CSC(=N3)NC4=CC=CC(=C4)C(F)(F)F 1 6.25 4 3 0 7.72081494723361 16745800 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)NC4=CC=CC(=C4)C(F)(F)F 1 5.414 3 1 7.32175735526088 16745799 CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC(=O)C(=O)C4=CNC5=CC=CC=C54)C(F)(F)F 1 5.386 5 3 0 -6.43533834058618 16745798 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)NC4=CC=C(C=C4)Cl 1 6.078 3 1 8.59245452820688 16745796 C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F 1 5.414 3 1 6.35402737271029 16745795 CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)OC)NC(=O)C4=CC=NO4)C(F)(F)F 1 3.45 5 4 0 -9.22701309752694 16745794 CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC(=O)C(=O)C4=CNC5=CC=CC=C54 1 4.959 5 3 0 -4.48912813139242 16745793 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C3=NC=CN3C 1 3.327 4 2 -5.32062556310878 16745792 COC1=CC(=CC(=C1)NC(=O)C2=NC=CN=C2N)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.245 5 3 0 -7.98831054355682 16745789 C1=CC=C(C(=C1)NCC2=CN=C(C=N2)N)Cl 1 1.592 4 0 0 0.142118707881112 16745788 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=CSC(=N3)NC4=CC=CC(=C4)C(F)(F)F 1 5.414 3 1 8.87648604675569 16745787 C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=CSC(=N3)NC4=CC=C(C=C4)Cl 1 6.078 3 1 10.1990563614744 16745786 COC1=CC(=CC(=C1)NC(=O)C2=CN=CC(=C2)C3=CC=C(C=C3)C#N)C(=O)NC4=CC=CC(=C4)C(F)(F)F 1 4.571 4 3 0 -3.34162657117442 16745785 COC1=CC(=CC(=C1)NC(=O)C2=CC=NO2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.07 3 4 0 -5.57349118427031 16745784 COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC(=CC(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)OC 1 4.991 4 4 0 -1.39971017742208 16745783 CC1=CC(=NO1)C(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)OC 1 3.353 3 4 0 -11.834152392471 16745782 C1C2=C(C=CC(=C2)Cl)N3C(=C4C=CC(=CC4=N3)C(=O)NCCO)O1 1 2.588 3 3 -2.65040378221843 16745781 C1CCC(C1)C#CC2=CC3=C(C=C2)N4C(=C5C=CC=CC5=N4)OC3 1 5.58 2 1 4.21341347973692 16745780 CCCCC#CC1=CC2=C(C=C1)N3C(=C4C=CC=CC4=N3)OC2 1 5.7 2 1 3.76574682884525 16745779 CC1(CC(=NO1)C2=C(C=CC=C2Cl)Cl)C3=NN=C(O3)C4=CC=NC=C4 1 3.311 4 2 -3.9560932729559 16745778 CCCCN1[C@H](CN=C1N)CC2=CC=C(C=C2)O 1 2.468 3 1 1.48929942061839 16745777 C1[C@H](N(C(=N1)N)CCC2=CC(=CC=C2)F)CC3=CC=C(C=C3)O 1 3.25 3 1 6.52863703400988 16745776 C1[C@@H](N(C(=S)N1)CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3 1 6.413 2 0 0.662391426978588 16745775 CC([C@H]1CNC(=S)N1CCC2=CC(=CC=C2)F)O 1 2.989 2 1 -2.61520472541246e-002 16745774 CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CC3)C4=CC=C(C=C4)C#N)OC(=O)CCC5=CC=CC=C5 1 4.183 2 4 -6.35869594577568 16745770 CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC=CO3)C4=CC=C(C=C4)C#N)OC(=O)CCC5=CC=CC=C5 1 4.459 2 5 0 -5.65630449002003 16745769 CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCC3=CNC4=CC=CC=C43)C5=CC=C(C=C5)C#N)OC(=O)CCC6=CC=CC=C6 1 5.892 3 4 0 -6.13038240541642 16745768 CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCC3=CC=CC=N3)C4=CC=C(C=C4)C#N)OC(=O)CCC5=CC=CC=C5 1 4.59 3 4 0 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16725161 COC(=O)[C@H]1C[C@H]1[C@H](C2=CC=CC=C2)NC(=O)C3=CN=CC=C3 1 1.73 2 3 0 -10.9402631388873 16725158 C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](C3=CC=CC=C3)[C@@H](C4=CC=CC=C4)O 1 4.147 2 4 -12.0347127641946 16725157 COC(=O)C1=CC=C(C=C1)[C@H]2CC(=O)O2 1 1.422 0 4 0 -3.6380021992645 16725155 CCOC(=O)CN(C)C(=O)C1CCCN1C(=O)OC(C)(C)C 1 1.072 2 5 0 -15.9932909714225 16725151 C(#N)C1=C(NC(=O)S1)Cl 1 0.921 2 1 0 -0.97180760829567 16725146 CCOC(=O)C1(C2C(=C)CC(N2C(=O)OC(C)(C)C)C(=O)N1CC3=CC=CC=C3)C(=O)OCC 1 3.061 2 7 0 -6.01091845458511 16725144 CCOC(=O)C1(C2C(=C)CC(N2C(=O)OC(C)(C)C)C(=O)N1CC3=C(C=CC(=C3)OC)OC)C(=O)OCC 1 3.028 2 9 0 -6.92305046590878 16725143 COC1=CC(=C(C(=C1)CO)OC)[N+](=O)[O-] 1 1.087 1 5 0 -0.78477717641546 16725139 C[C@@H]1[C@H](OC1=O)[C@H](C)[C@H]([C@@H](C)COCC2=CC=C(C=C2)OC)O 1 2.394 0 5 -6.51537170030823 16725116 CCCC/C=C/[C@H](C1=CC=CC=C1)[C@@H](CC2=CN=CC=C2)CO 1 4.748 1 1 -1.28574923103081 16682734 C1=CC=C2C(=C1)C(=O)O[Bi]O2.O H2O 1 1.432 0 3 0 -0.397862024304895 16682725 CC1=NNC(=O)C1CC(=O)NN=C/C(=C/C2=CC=CC=C2)/Br 1 1.018 4 2 0 -19.5461344443453 16682724 CC1=NNC(=O)C1CC(=O)NN=C/C=C/C2=CC=CC=C2OC 1 0.548 4 3 0 -13.3258704806811 16682723 C1=C/C(=C/N=O)/NC=C1C(=O)NCCCNCCCNC(=O)C2=CN/C(=C\N=O)/C=C2 1 -2.334 7 4 0 -7.58116876281106 16682722 CCCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NN=CC3=CC=NC=C3.Br Br- 1 2.848 5 1 -6.2023159753315 16682721 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=C/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 0.859 7 5 0 -18.4419881084101 16682719 C1[C@@H]([C@@H](COC1NC2=CC=C(C=C2)N=NC3=CC=CC=C3)O)O 1 3.129 3 3 3.45384620641976 16682718 C[N+]1=CC=CC2=C1C3=C(C=C2)C(C(=C(O3)N)C#N)C4=CC=CC=C4.[I-] I- 1 3.666 3 1 -4.69675380376766 16682716 CC\1=NC(=O)NC(=O)/C1=C\NNC(=O)[C@H](CC(C)C)N.Cl Cl- 1 -1.015 5 3 0 -11.6908143289982 16682715 CC\1=NC(=O)NC(=O)/C1=C/NNC(=O)[C@H](CC2=CC=CC=C2)N.Cl Cl- 1 -0.69 5 3 0 -7.94511971401888 16682714 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3F)NN/C=C/4\C=CC(=O)C=C4O 1 2.52 4 2 4.819638276551 16682713 CS(=O)(=O)C1=CC2=C(C=C1)N3C(=C(C(=O)N=C3S2)/C=C\4/C=CC(=O)C(=C4)O)N 1 1.64 3 5 0 -11.3850730563738 16682712 C1=CC=C(C=C1)/C=C/C(=O)NCC(=O)NN=C(CCC(=O)O)C2=CC=CC=C2 1 2.036 3 4 0 -15.9835220769237 16682711 COC1=CC=C(C=C1)/C=C/C(=O)NCC(=O)NN=C(CCC(=O)O)C2=CC=CC=C2 1 2.02 3 5 0 -15.9315130069352 16682705 CC(C)N1C(=C(C(=O)NC1=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C(=O)N(C(=O)N4)C(C)C)[O-].[NH4+] NH4+ 1 2.002 4 6 0 -6.41678839547592 16682704 COC1=C/C(=C/C2=C(N3C4=C(C=C(C=C4)S(=O)(=O)C)SC3=NC2=O)N)/C=CC1=O 1 1.866 3 5 0 -10.9657150583203 16682703 CC1=NN=C(C2=CC=CC=C12)NC3=CC=C(C=C3)OCC(=O)NC.Cl Cl- 1 1.898 4 2 0 -12.0597945693009 16682702 COC1=C(C=CC(=C1)C(CC(=O)O)CN)O.Cl Cl- 1 -1.983 1 4 0 -4.0033589013268 16682701 COC1=C/C(=C/NNC(=O)C2=CC(=CN=C2)Br)/C=C(C1=O)[N+](=O)[O-] 1 3.4e-002 4 5 0 -1.95971413936075 16682700 COC1=CC(=C(C=C1)OC)N2/C(=C\3/C=CC(=O)C=C3O)/NNC2=S 1 2.62 3 4 0 -2.38186685074628 16682697 C1CNCCN(C1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3.Cl Cl- 1 1.556 4 2 0 -4.93843033970619 16682696 COC1=C/C(=C/NNC2=NC3=CC=CC=C3S2)/C=C(C1=O)[N+](=O)[O-] 1 1.19 4 4 0 5.11072365822555 16682695 COC1=C(C=C(C=C1)C2=CS/C(=C(/C=C\3/C=CC(=O)C(=C3)[N+](=O)[O-])\C#N)/N2)OC 1 2.453 3 5 0 -8.78681327668995 16682694 CC1=C/C(=C\NNC(=S)N)/C(=O)C(=C1)C=NNC(=S)N 1 0.392 6 1 0 -6.49885795078922 16682693 C1OC2=C(O1)C=C(C=C2)N3C(=O)[C@H]4[C@@H](C3=O)NN=C4C(=O)CCN5C(=O)C6=CC=CC=C6C5=O 1 0.612 4 7 0 -9.69085956467174 16682692 CCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)OC.Br Br- 1 3.727 3 2 -4.75684219856741 16682691 C1=CC=C2C(=C1)C(=O)/C(=C(\NC3=C(C=CC=N3)O)/O)/C(=O)N2 1 1.543 3 4 0 -4.6853946359381 16682688 C1=CC(=C([NH+]=C1)CSC(=[NH2+])N)O.[Cl-] Cl- 1 1.138 3 1 0 1.41419098404233 16682687 CC(=NNC1=NC(=C(S1)CC(=O)O)C2=CC=CC=C2)C3=CC=CC=C3.Br Br- 1 3.692 3 2 -3.06795666284642 16682686 CC1=C/C(=C\2/C3=C(C(=O)N(C3C4=CC(=CC=C4)O)CC5=CC=CO5)NN2)/C(=O)C(=C1)C 1 1.986 3 4 0 -9.40966093563909 16682685 C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NN/C=C/4\C=CC(=O)C=C4O 1 1.164 5 2 0 5.52057057770687 16682684 CN1C=CN=C1SCC(=O)C2=CC=C(C=C2)O.Br Br- 1 2.02 2 2 -1.28587905801267 16682683 C1CC(OC1)CNC(=O)C(=O)NN/C=C\2/C=CC(=O)C(=C2)Cl 1 -0.576 3 4 0 -12.7149996791878 16682682 COC1=C/C(=C/NNC(=O)C(=O)NCC2=CC=CO2)/C=C(C1=O)Cl 1 -0.482 3 5 0 -6.44895020680907 16682681 C=CCSC(=NN/C=C/1\C=C(C=C(C1=O)[N+](=O)[O-])Br)N 1 1.41 4 3 0 -5.92227114640191 16682680 C1=CC(=CC=C1/C=C/C=NNC(=O)N)F 1 1.374 3 1 0 0.286524443121961 16682679 CC(=NNC(=O)C1=CC2=C(C=C1)OCCO2)/C=C/C=C/C3=CC=CC=C3 1 3.375 2 3 -4.86342645708446 16682678 CN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)OC.Br Br- 1 2.398 3 2 -5.39347364556177 16682677 C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3N=C/C=C/C4=CC=CC=C4[N+](=O)[O-] 1 4.684 7 2 0 4.0074718354092 16682676 C1=CC=C2C(=C1)C(OC2=O)N3C4=CC=CC=C4/C(=N/NC(=O)C5=CC=CO5)/C3=O 1 2.822 3 5 0 -8.42479885505608 16682675 CC\1=NC(=O)NC(=O)/C1=C\NNC(=O)[C@H](C)N.Cl Cl- 1 -2.246 5 3 0 -9.48489087605768 16682674 C1=CC=C(C=C1)C2=C(SC(=N2)NN=CC3=CC=NC=C3)CC(=O)O.Br Br- 1 2.561 4 2 -9.43938603761289e-002 16682673 CC1=CC(=NN1)C2=NNC(=S)N2N/C=C/3\C=NC4=CC=CC=C43 1 1.765 7 0 0 -5.09926953714637 16682672 CCCOC(=O)C1=CC=C(C=C1)OC\2=CNN/C2=C/3\C=CC(=CC3=O)OCC(=O)NN 1 -0.358 4 6 0 -11.6416517858491 16682669 C/C(=C/1\C=CC=N1)/NNC2=CC(=C(C=C2)Cl)C(=O)O 1 1.95 3 2 0 -4.8149394678325 16682668 CC1=C(SC(=N1)C2=CC=CC=C2)C3(CC(=NO3)C4=CC=C(C=C4)[N+](=O)[O-])C 1 4.276 3 3 1.16900742232747 16682667 CC1=C(SC(=N1)C2=CC=CC=C2)C3(CC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])C 1 4.276 3 3 0.975902919221952 16682664 CC1(CC(=NO1)C2=CC(=CC=C2)Cl)C3=NN=C(O3)C4=CC=C(C=C4)F 1 4.003 3 2 3.31966658290774 16682663 CC1=CC=C(C=C1)C2=NOC(C2)(C)C3=NN=C(O3)C4=CC=C(C=C4)F 1 3.825 3 2 -2.10605272318528 16682662 CC1=CC2=C(C=C1)N3C(=C4C=CC(=CC4=N3)C(=O)N5CCOCC5)OC2 1 2.842 3 3 -4.31288369570305 16682661 CC1=CC2=C(C=C1)N3C(=C4C=CC(=CC4=N3)C(=O)NCCO)OC2 1 2.409 3 3 -5.21173308925557 16682659 CCC(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CC=C(C=C4)Cl)C(=O)C5=C(O2)C=CC(=C5)Cl 1 3.989 2 4 -3.44767393915168 16682658 C1CN(CCC12C3(CC(=NO3)C4=CC=C(C=C4)Cl)C(=O)C5=C(O2)C=CC(=C5)Cl)C(=O)C6=COC=C6 1 4.09 2 5 0 -4.68370745561389 16682657 CC(C)C(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CC=C(C=C4)Cl)C(=O)C5=C(O2)C=CC(=C5)Cl 1 4.451 2 4 -3.53475788159754 16682656 C1CN(CCC12C3(CC(=NO3)C4=CC=C(C=C4)Cl)C(=O)C5=C(O2)C=CC(=C5)Cl)C(=O)C6=CC7=C(C=C6)OCO7 1 4.754 2 6 0 -2.25890302004345 16682655 CC1(CC(=NO1)C2=CC=C(C=C2)OC)C3=NN=C(O3)C4=CC=C(C=C4)F 1 3.322 3 3 -2.51901893232942 16682654 CC1(CC(=NO1)C2=CC=CC=C2)C3=NN=C(O3)C4=CC=C(C=C4)F 1 3.338 3 2 -1.74196556464212 16682653 CC1(CC(=NO1)C2=C(C=CC=C2Cl)Cl)C3=NN=C(O3)C4=CC=C(C=C4)F 1 4.667 3 2 -2.58702282204829 16682652 C1CCN(CC1)C(=O)C2=CC3=NN4C5=C(COC4=C3C=C2)C=C(C=C5)Cl 1 4.25 3 2 -0.183257938890316 16682651 C1COCCN1C(=O)C2=CC3=NN4C5=C(COC4=C3C=C2)C=C(C=C5)Cl 1 3.021 3 3 -1.75155438866591 16682650 CC(C)[C@@H](CO)NC(=O)C1=CC2=NN3C4=CC=CC=C4COC3=C2C=C1 1 3.144 3 3 -7.45685235329652 16682649 CC(C)[C@@H](CO)NC(=O)C1=CC2=NN3C4=C(COC3=C2C=C1)C=C(C=C4)Cl 1 3.808 3 3 -4.8014136345204 16682648 CC1=CC2=C(C=C1)N3C(=C4C=CC(=CC4=N3)C(=O)NCCOC)OC2 1 2.818 3 3 -8.24855784509965 16682647 CC1=CC2=C(C=C1)N3C(=C4C=CC(=CC4=N3)C(=O)N[C@@H](C)CO)OC2 1 2.787 3 3 -6.72332548872827 16682646 CC1=CC2=C(C=C1)N3C(=C4C=CC(=CC4=N3)C(=O)N5CCCCC5)OC2 1 4.072 3 2 -2.74458724592746 16682645 CC1=CC2=C(C=C1)N3C(=C4C=CC(=CC4=N3)C(=O)NCC5CC5)OC2 1 3.769 3 2 -5.39813649607865 16682644 C1C2=CC=CC=C2N3C(=C4C=CC(=CC4=N3)C(=O)NCCO)O1 1 1.923 3 3 0 -5.30584250099455 16682643 CC1=CC2=C(C=C1)N3C(=C4C=CC(=CC4=N3)C(=O)N[C@@H](CO)C(C)C)OC2 1 3.63 3 3 -7.36274294155754 16682642 CC(C)NC(=O)C1=CC2=NN3C4=CC=CC=C4COC3=C2C=C1 1 3.189 3 2 -10.0792894494214 16682641 C=CCNC(=O)C1=CC2=NN3C4=CC=CC=C4COC3=C2C=C1 1 3.079 3 2 -9.16482232116769 16682640 COCCNC(=O)C1=CC2=NN3C4=CC=CC=C4COC3=C2C=C1 1 2.332 3 3 -8.34266725683863 16682639 C[C@@H](CO)NC(=O)C1=CC2=NN3C4=CC=CC=C4COC3=C2C=C1 1 2.301 3 3 -6.81743490046726 16682638 C1CCN(CC1)C(=O)C2=CC3=NN4C5=CC=CC=C5COC4=C3C=C2 1 3.586 3 2 -2.83869665766644 16682637 C1CC(OC1)CNC(=O)C2=CC3=NN4C5=CC=CC=C5COC4=C3C=C2 1 2.821 3 3 -9.79794608571722 16682636 C1CC1CNC(=O)C2=CC3=NN4C5=CC=CC=C5COC4=C3C=C2 1 3.283 3 2 -5.49224590781763 16682635 CC1=CC2=C(C=C1)N3C(=C4C=CC(=CC4=N3)C(=O)NC(C)C)OC2 1 3.675 3 2 -9.98518003768237 16682634 CC1=CC2=C(C=C1)N3C(=C4C=CC(=CC4=N3)C(=O)NCC=C)OC2 1 3.566 3 2 -9.07071290942871 16682633 CC1(CC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-])C3=NN=C(O3)C4=CC=C(C=C4)F 1 3.233 4 4 0 -4.61190057345623 16682632 CC1(CC(=NO1)C2=CC=C(C=C2)F)C3=NN=C(O3)C4=CC=C(C=C4)F 1 3.544 3 2 -2.93237166540283 16682630 CC1(CC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-])C3=NN=C(O3)C4=CC=NC=C4 1 1.877 5 4 0 -5.14236744950548 16682629 COCCNC(=O)C1=CC2=NN3C4=C(COC3=C2C=C1)C=C(C=C4)Cl 1 2.996 3 3 -5.68722853806251 16682628 C1COCCN1C(=O)C2=CC3=NN4C5=CC=CC=C5COC4=C3C=C2 1 2.356 3 3 -4.40699310744203 16682627 CC(C)NC(=O)C1=CC2=NN3C4=C(COC3=C2C=C1)C=C(C=C4)Cl 1 3.853 3 2 -7.42385073064523 16682626 CC1(CC(=NO1)C2=CC=C(C=C2)F)C3=NN=C(O3)C4=CC=NC=C4 1 2.188 4 2 -1.92464257376927 16682624 C[C@@H](CO)NC(=O)C1=CC2=NN3C4=C(COC3=C2C=C1)C=C(C=C4)Cl 1 2.965 3 3 -4.16199618169113 16682622 CC1(CC(=NO1)C2=CC=C(C=C2)Cl)C3=NN=C(O3)C4=CC=C(C=C4)F 1 4.003 3 2 -0.284054032598464 16682620 CC(C)(C)CN1[C@H](CN=C1N)CC2=CC=C(C=C2)O 1 2.605 3 1 1.55770736980943 16682619 CCCCN1[C@@H](CN=C1N)CC2=CC=C(C=C2)O 1 2.468 3 1 1.48929942061839 16682618 C1CCC(CC1)CCCCN2[C@@H](CN=C2N)CC3=CC=C(C=C3)O 1 4.63 3 1 1.64694065835797 16682617 CCCC[C@@H]1CN=C(N1CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N 1 5.051 3 0 -0.258694368435942 16682616 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NC2CC2)C3=CNC4=CC=CC=C43)CCCO 1 2.567 2 4 -7.22102775502227 16682615 C1[C@@H](N(C(=N1)N)CCC2=CC(=CC=C2)F)C3=CC=CC=C3 1 3.171 3 0 4.75637123786475 16682614 C1[C@@H](N(C(=N1)N)CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3 1 4.85 3 0 3.81139924705327 16682613 C1CCC(CC1)CCCCN2[C@H](CN=C2N)C3=CC=CC=C3 1 4.55 3 0 -0.163103464758917 16682612 C1[C@@H](N(C(=N1)N)CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC3=CC=C(C=C3)O 1 4.929 3 1 5.48627081667362 16682611 C1CCC(CC1)CN2[C@H](CN=C2N)CC3=CC=C(C=C3)O 1 3.329 3 1 2.68652365924455 16682610 C1CCC(CC1)CCCCN2[C@H](CN=C2N)CC3=CC=C(C=C3)O 1 4.63 3 1 1.64694065835797 16682609 C1[C@@H](N(C(=N1)N)CCC23CC4CC(C2)CC(C4)C3)CC5=CC=C(C=C5)O 1 3.936 3 1 6.36482974959975 16682608 C1[C@@H](N(C(=N1)N)CCC2=CC=CC3=CC=CC=C32)CC4=CC=C(C=C4)O 1 3.953 3 1 5.62318435512724 16682607 CC(C)(C)CN1[C@@H](CN=C1N)CC2=CC=C(C=C2)O 1 2.605 3 1 1.55770736980943 16682606 COC1=CC=C(C=C1)[C@H]2C[C@H](OC(=C2)C(=O)O)OCCCCO 1 1.808 0 6 0 -0.79128687946922 16682605 COC1=CC(=CC(=C1OC)OC)CCCN2[C@H](CN=C2N)CC3=CC=C(C=C3)O 1 3.451 3 4 0 -0.460885378825359 16682604 C1[C@H](N(C(=N1)N)CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC3=CC=C(C=C3)O 1 4.929 3 1 5.48627081667362 16682603 C1[C@@H](C=C(O[C@@H]1OCCCCO)C(=O)O)C2=CC=C(C=C2)F 1 2.03 0 5 0.262513406505124 16682602 C1CCC(CC1)C[C@H]2CN=C(N2CCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N 1 5.844 3 0 1.08591399618471 16682601 C1CCC(CC1)C[C@H]2CNC(=S)N2CCC3=CC=CC4=CC=CC=C43 1 6.431 2 0 -1.98591892191481 16682600 C1[C@H](C=C(O[C@H]1OCCCCO)C(=O)O)C2=CC=C(C=C2)F 1 2.03 0 5 0.262513406505124 16682599 COC1=CC(=CC(=C1OC)OC)CCCN2[C@H](CN=C2N)C3=CC=CC=C3 1 3.372 3 3 -2.13575694844571 16682598 C1[C@@H](N(C(=N1)N)CCC23CC4CC(C2)CC(C4)C3)CCCCN 1 2.542 4 0 1.35731513865698 16682597 C1CCC(CC1)CN2[C@@H](CN=C2N)CC3=CC=C(C=C3)O 1 3.329 3 1 2.68652365924455 16682596 C1[C@@H](N(C(=S)N1)CCC2=CC(=CC=C2)F)C3=CC=CC=C3 1 4.734 2 0 1.60736341779007 16682595 C1CC1NC(=O)C2=C[C@@H](C[C@@H](O2)OCC3=CC=C(C=C3)CO)C4=CNC5=CC=CC=C54 1 3.062 2 4 -5.65874877619416 16682594 C1CC1NC(=O)C2=C[C@H](C[C@H](O2)OCCCCO)C3=CNC4=CC=CC=C43 1 2.186 2 4 -5.78441837870589 16682593 COC1=CC=C(C=C1)[C@@H]2C[C@@H](OC(=C2)C(=O)O)OCCCCO 1 1.808 0 6 0 -0.79128687946922 16682592 C1CC1NC(=O)C2=C[C@@H](C[C@@H](O2)OCCCCO)C3=CNC4=CC=CC=C43 1 2.186 2 4 -5.78441837870589 16682591 COC1=CC=C(C=C1)[C@@H]2C[C@@H](OC(=C2)C(=O)O)OCC3=CC=C(C=C3)CO 1 2.684 0 6 -0.665617276957488 16682590 C1[C@H](C=C(O[C@H]1OCC2=CC=C(C=C2)CO)C(=O)O)C3=CC=C(C=C3)F 1 2.906 0 5 0.388183009016856 16682589 C1[C@H](C=C(O[C@H]1OCCCCO)C(=O)O)C2=CC=CS2 1 1.567 0 5 0 -4.51053632553665 16682588 C1CC1NC(=O)C2=C[C@H](C[C@H](O2)OCC3=CC=C(C=C3)CO)C4=CNC5=CC=CC=C54 1 3.062 2 4 -5.65874877619416 16682587 C1[C@H](C=C(O[C@H]1OCC2=CC=C(C=C2)CO)C(=O)O)C3=CC=CS3 1 2.443 0 5 -4.38486672302492 16682586 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NC2CC2)C3=CNC4=CC=CC=C43)CCCO 1 2.567 2 4 -7.22102775502227 16682585 C1CCC(CC1)C[C@H]2CNC(=S)N2CCC3=CC(=CC=C3)F 1 5.728 2 0 -0.945293689535627 16682584 C1[C@@H](N(C(=N1)N)CCC2=CC(=CC=C2)F)CC3=CC=CC=C3 1 3.492 3 0 3.73655379156636 16682583 COC1=CC(=CC(=C1OC)OC)CCCN2[C@H](CN=C2N)CC3=CC=CC=C3 1 3.693 3 3 -3.1555743947441 16682582 COC1=CC(=CC(=C1OC)OC)CCCN2[C@@H](CN=C2N)CC3=CC=C(C=C3)O 1 3.451 3 4 0 -0.460885378825359 16682581 CCC(C)[C@H]1CNC(=S)N1CCC23CC4CC(C2)CC(C4)C3 1 5.484 2 0 -3.12143142766953 16682580 CCC(C)[C@H]1CNC(=S)N1CCC2=CC=CC3=CC=CC=C32 1 5.502 2 0 -3.78764290512396 16682579 CCCC[C@@H]1CNC(=S)N1CC2CCCCC2 1 5.014 2 0 -6.34262189943622 16682578 C1CCC(CC1)CN2[C@H](CNC2=S)CC3=CC=CC4=CC=CC=C43 1 6.042 2 0 -1.29617083445419 16682577 C1CCC(CC1)CCCCN2[C@H](CNC2=S)C3=CC=CC=C3 1 6.114 2 0 -3.3121112848336 16682576 C1CCC(CC1)C[C@H]2CNC(=S)N2CCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 7.407 2 0 -2.06309382388997 16682575 C1CCC(CC1)CCCCN2[C@H](CNC2=S)CC3CCCCC3 1 7.108 2 0 -5.65470006226659 16682574 COC1=CC(=CC(=C1OC)OC)CCCN2[C@H](CNC2=S)CC3CCCCC3 1 5.93 2 3 -8.01025001938895 16682573 C1[C@@H](N(C(=N1)N)CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3 1 5.171 3 0 2.79158180075488 16682572 C1CCC(CC1)CCCCN2[C@H](CN=C2N)CC3=CC=CC=C3 1 4.872 3 0 -1.04774835756077 16682570 CCC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC=CC=C1F 1 2.642 2 3 -19.984750940254 16682569 CC(C)CC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N.Br Br- 1 2.253 2 4 -8.79001096430387 16682568 C1CC2[C@@H]3[C@H]([C@H](N2C1)C(=O)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC=C(C=C5)F 1 2.856 2 3 1.37687590150573 16682567 COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C=CC=NN4[C@@H]([C@@H]3C2=O)C(=O)NC5=CC=C(C=C5)Cl 1 2.057 4 4 0 0.699865884149802 16682564 CNC(C(C1=CC(=CC=C1)[N+](=O)[O-])OC)C(=O)C2=CC=CC=C2.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 2.551 2 4 -10.5559442875313 16682563 CC(=O)OC(C[N+]1(CCCCC1)C)COC2C[C@@H]3CC[C@]2(C3(C)C)C.[I-] I- 1 1.953 1 3 0 -3.63917512240849 16682562 CC(=O)OC(C1=CC(=CC=C1)[N+](=O)[O-])C(C(=O)C2=CC=CC=C2)NC.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 2.521 2 5 0 -7.87306024795485 16682557 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C)/NCC3CCCO3 1 2.016 3 4 0 -13.4073238004853 16682556 CCN(CC)CC[N+]1=C(C=C(C=C1C)C2=CC=C(C=C2)OCC)C3=CC=C(C=C3)OCC.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 6.409 2 2 6.9637736883619 16682555 C1=C[C@@H]2[C@@H]3[C@H]([C@H](N2N=C1)C(=O)NC4=CC=C(C=C4)Cl)C(=O)N(C3=O)C5=CC(=CC=C5)F 1 2.279 4 3 0 2.84713383908908 16682554 CCOC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C)CCN3CCOCC3)C4=CC=C(C=C4)OCC.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 5.399 2 3 6.24362490326635 16682553 CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSCC3=CC=CC=C3.Cl Cl- 1 4.379 1 4 -0.444888384949383 16682552 C[N+]1(CCCCC1)CN2C(=O)C3C4CC(C3C2=O)C=C4.[I-] I- 1 -0.207 2 2 0 -4.51228200911982 16682551 CC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=C(C=C5)OC(=O)C 1 1.28 3 5 0 -3.40244134161112 16682550 C1=C[C@@H]2[C@@H]3[C@H]([C@H](N2N=C1)C(=O)NC4=CC=C(C=C4)Cl)C(=O)N(C3=O)C5=CC=C(C=C5)F 1 2.279 4 3 0 1.82470911875919 16682549 CC1=CC=CC=C1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl Cl- 1 4.883 2 1 -10.463302776397 16682548 C1=CC(=CC(=C1)Br)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCCO.[Br-] Br- 1 2.17 2 3 -7.24650017170238 16682547 CC1=C(N=C2N1CCC2)C3=CC=C(C=C3)OC.Br Br- 1 2.515 2 1 4.04218310906807 16682546 COC1=CC=CC=C1/C=C/C=NNC(=O)CCN2C=NC3=CC=CC=C32 1 2.848 4 2 -7.29538258824162 16682545 CCCOC1=C(C=C(C=C1)CSC(=N)N)C(=O)OC.Cl Cl- 1 2.718 2 3 -7.17427639002444 16682544 COC1=CC=C(C=C1)N2C3=[N+](CCCCC3)C=C2C4=CC=C(C=C4)Cl.[Br-] Br- 1 5.959 2 1 4.2207687342501 16682543 CC1CC(CCO1)C2=NC(=CS2)C3=CC=C(C=C3)OC.Br Br- 1 3.211 1 2 1.59373645691168 16682542 CCO.C1=CC=C2C=C(C=CC2=C1)SC3=CC4=C(C=C3)N=C(N=C4N)N CCO 1 3.981 4 0 4.92186848351954 16682541 C1=C/C(=C\NC2=C3C(=C(C=C2)F)C(=O)NN3)/C(=O)C=C1 1 1.281 3 2 0 -6.48998318099708 16682540 COC1=C/C(=C/NNC2=NC3=CC=CC=C3S2)/C=CC1=O 1 1.448 3 2 0 4.60017866220509 16682539 C=CCSC(=NN/C=C/1\C(=O)C=CC2=CC=CC=C21)N 1 2.266 3 1 -3.77867654338329 16682538 CC1=CC=C(C=C1)N2C3=[N+](CCC3)C=C2C4=CC=C(C=C4)Cl.[Br-] Br- 1 5.55 2 0 5.3571397809206 16682537 C1CCC2=[N+](C=C(N2CC1)C3=CC=C(C=C3)Cl)CC4=C(C=C(C=C4)Cl)Cl.[Br-] Br- 1 7.311 2 0 6.29534991162324 16682491 COC1=C(C=C(C=C1)CCNC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.Cl Cl- 1 5.033 2 2 0.829838416968966 16682492 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NN/C=C\2/C=CC=N2 1 0.107 4 4 0 -9.274827053178 16682493 CC1=CC(=CC=C1)NCC(=O)NN/C=C\2/C=CC=N2 1 0.524 4 1 0 -4.52558369105656 16682494 CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@@H]4C=CC=NN4[C@H]([C@H]3C2=O)C(=O)C5=CC=C(C=C5)OC(=O)C)C 1 2.769 3 5 0 -1.71392427774709 16682495 CC(=O)OC1=CC=C(C=C1)C(=O)[C@H]2[C@@H]3[C@H]([C@H]4N2N=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5OC 1 1.78 3 6 0 -3.50045160998391 16682496 CN1CCCC(C1)OC(=O)COC2=CC=C(C=C2)OC.Cl Cl- 1 2.132 1 4 -3.67638854642863 16682497 C1C(OC2=CC=CC=C2O1)C(=O)NN/C=C\3/C=CC=N3 1 0.15 3 3 0 -3.05699563120401 16682498 C1C(OC2=CC=CC=C2O1)C(=O)NN=C/C=C/C3=CC=CO3 1 2.211 2 4 -0.169213264260994 16682499 C1OC2=C(O1)C=C(C=C2)/C=C/C=NNC(=O)C(C3=CC=CC=C3)O 1 2.194 2 4 -4.80572674911715 16682500 CC(=NNC(=O)C(C1=CC=CC=C1)O)/C=C/C=C/C2=CC=CC=C2 1 2.972 2 2 -4.61550068870016 16682501 CC(C)(C)C1=CC=[N+](C=C1)C\2=C(C3=CC=CC=C3C(=O)/C2=N\S(=O)(=O)C4=CC=CC=C4)[O-] 1 4.205 2 4 -4.29459272488174 16682502 CC(=NNC(=O)C(C1=CC=CC=C1)O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.272 2 4 -9.13625836692342 16682503 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NN=CC3=CC=NC=C3.Br Br- 1 1.725 5 1 0 -0.846422384442023 16682504 CC1=CC(=NC2=C(C(=NN12)[NH3+])N=NC3=CC=CC=C3)C.[Cl-] Cl- 1 2.603 6 0 -1.13754066940003 16682536 CN(CC(C[NH+]1CCOCC1)O)S(=O)(=O)[O-].Br Br- 1 -5.313 2 5 0 -6.51324175010299 16682535 CC1=CC=C(C=C1)N2C(=O)/C(=C/NC3=CC=CC(=N3)C)/C(=N2)C 1 2.533 4 1 -2.66306652129187 16682534 CCCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CN=CC=C4)/O 1 1.885 4 4 0 -3.78626072423066 16682533 C1=CC(=C(C(=C1)Cl)CSC2=NN=C(O2)CCN)Cl.Cl Cl- 1 2.747 3 1 -14.1141073718564 16682532 C1=CC=C(C=C1)/C=C/C=NNC(=O)CCN2C=NC3=CC=CC=C32 1 2.864 4 1 -5.77372892642857 16682531 CC\1=NN(C(=O)/C1=C/NC2=CC(=CC=C2)F)C3=CC=CC=C3 1 2.581 3 1 -2.95596182150742 16682530 C1=CC=C(C=C1)N2C(=N)/C(=N/NC3=CC(=CC=C3)F)/C(=N2)N 1 2.355 6 0 -1.54525556536297 16682529 C1=CC=[N+](C=C1)CCCCCCCCCCC(=O)O.[Br-] Br- 1 4.678 1 2 -2.04627220086484 16682528 CC1=CC(=CC=C1)CSC2=NN=C(O2)[C@@H]3CCCN3.Cl Cl- 1 2.684 3 1 -11.3994209251656 16682527 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NCC2CCCO2 1 4.6e-002 3 4 0 -18.1843071699402 16682526 CN1C(=O)C(SC1=NN/C=C/2\C=CC(=O)C=C2O)CC(=O)O 1 -0.193 3 5 0 -10.2825306847042 16682525 C[C@@H](C(=O)NN=CC1=CC2=NC=CN=C2C=C1)NC(=O)OC(C)(C)C 1 1.601 5 3 0 -12.6868879071719 16682524 CC1=CC=CC=C1CSC2=NN=C(O2)[C@@H]3CCCN3.Cl Cl- 1 2.684 3 1 -14.6641049656951 16682523 C1=CC=C(C=C1)/C=C(/C=NNC(=O)C(C2=CC=CC=C2)O)\Br 1 2.878 2 2 -11.3458460318143 16682522 CCCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(O4)C)/O 1 2.47 3 5 0 -6.0755654931408 16682521 COC1=C/C(=C/C=C\2/C=CC3=C(N2)C(=C(C=C3Br)Br)O)/C=CC1=O 1 3.896 1 3 4.54147004752841 16682520 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C=CC(=N4)[N+](=O)[O-].Cl Cl- 1 3.451 5 3 0 -9.04347277404042 16682519 CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4C=CC=NN4[C@H]3C(=O)C5=CC=C(C=C5)OC 1 2.498 3 4 0 7.39488175955559e-002 16682518 CC(=O)OC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4C=CC=NN4[C@H]3C(=O)C5=CC=C(C=C5)OC 1 1.78 3 6 0 -2.21859705530024 16682517 CCN(CC)CCOC(=O)C1=CC=C(C=C1)N/C=C(/C#N)\C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC 1 4.464 4 4 0 -14.3200407580676 16682516 CCCN(CCC)CC(COC1=CC=CC=C1C(=O)NC2=CC=CC=C2)O.Cl Cl- 1 3.971 2 3 -10.2296213238192 16682515 CC1=CC=CC=C1CC2C(=O)N/C(=C(/C#N)\C(=O)C)/S2 1 2.378 2 2 -9.24274058387536 16682514 CC1=CC=C(C=C1)C(=O)OC(C)CN2CCN(CC2)C.Cl Cl- 1 2.645 2 2 -2.40258500960139 16682513 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=C/C=C/C3=CC=CO3 1 0.36 6 4 0 -18.3032913655172 16682512 C[N+](C)(C)CCCN(CC1=CC2=C(C=C1)OCO2)C(=O)NC3CCCCC3.[I-] I- 1 1.631 3 3 0 -10.8901720302256 16682511 CC(C)(C)C(=O)[C@H]1[C@@H]2[C@H](C3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=C(C=C5)OC 1 3.043 3 4 0 -2.11783353464903 16682510 CC1CC(OC(O1)C[N+]2(CCCCC2)C)(C)C.[I-] I- 1 0.661 1 2 0 -6.15279346345267 16682509 CCOC(=O)C(=NNC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C)C.Br Br- 1 1.532 4 3 0 0.292680948415991 16682508 CC1=CC(=CC=C1)NC(=O)CCN(C)CCC2=CC(=C(C=C2)OC)OC.Cl Cl- 1 3.562 2 3 -6.51053171832593 16682507 C1=C(C(=C(C(=N1)C(=O)[O-])Cl)Cl)Cl.[NH4+] NH4+ 1 1.256 1 2 0 -2.5739713050187 16682506 CC(C)[N+](C)(C)CC#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-] Br- 1 2.794 1 1 -3.3208027908776 16682505 CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3/C(=C\NC4CCS(=O)(=O)C4)/C2=O 1 1.865 2 4 0 -11.4951050390822 16682490 CC(C)(C)C1=CC=C(C=C1)CCC2OCC(O2)C[N+]3(CCOCC3)C.[I-] I- 1 1.94 1 3 0 -1.73266533131475 16682489 CC(=NNC(=O)C1COC2=CC=CC=C2O1)/C=C/C3=CC=CO3 1 2.29 2 4 -2.9286219603805 16682488 COC1=CC=C(C=C1)C(=O)[C@H]2[C@@H]3[C@H](C4N2N=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5 1 2.012 3 4 0 -0.187354377546677 16682487 C1=CC(=CC=C1N/N=C\2/C(=NC(=NC2=O)N)N)SCC(=O)O 1 0.786 6 3 0 -8.72628803351688 16682486 C1COCCN1C2=CC3=[N+](C4=CC=CC=C4N=C3C=C2)CCO.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 2.851 3 2 5.73282440595218 16682485 CC(=NNC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3.Br Br- 1 2.856 4 1 -3.15702444220597 16682484 CCC(C)[C@@H](C(=O)OC)NC(=O)NCC1=CC=CO1 1 1.625 2 4 0 -21.8153560394566 16682483 CC1C(=CC2=CC=CC=C2O1)C=NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C 1 2.572 3 4 0 -13.2134715144357 16682482 CC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)[C@@H]3CCCN3)Cl.Cl Cl- 1 2.631 4 1 -2.22476934139847 16682481 C[C@@H](C(=O)NN=CC1=C2C(=CC=C1)N=CC=N2)NC(=O)OC(C)(C)C 1 1.601 5 3 0 -12.0393586175341 16682480 CCC(C)[C@@H](C(=O)OC)NC(=O)NCCCOCC 1 1.14 2 4 0 -26.5360445546243 16682479 C1CCC2[C@H](C1)SC3CCCCC3N2 1 3.078 1 0 -1.31079093346803 16682478 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C)/NCC3=CC=CO3 1 2.422 3 4 0 -10.2369656272775 16682477 C[N+]1=CC=CC2=C(C=CC(=C21)[O-])Br.O H2O 1 2.437 1 1 0.823795002333259 16682476 C[N+]1=CC=CC2=C1C(=CC=C2)[O-].O H2O 1 1.689 1 1 0 -0.405398642415503 16682475 CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)NN=CC1=CC2=NC=CN=C2C=C1 1 1.929 5 3 0 -19.2357802968627 16682474 COCCNC1=NC(=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4.Cl Cl- 1 3.347 3 2 7.03353020152294 16682473 C1=CC=C(C=C1)C[C@@H](C2=NN=C(O2)SC/C=C/C3=CC=CC=C3)N.Cl Cl- 1 3.678 3 1 -5.30556084073089 16682472 CCN(CC)C(=O)CSC1=NN=C(O1)[C@H](C(C)C)N.Cl Cl- 1 0.877 4 2 0 -21.715316682834 16682471 CC1=CC=C(C=C1)N2C(=O)/C(=C(\C)/NCC3=CC4=C(C=C3)OCO4)/C(=O)NC2=O 1 2.485 3 5 0 -8.47963637303869 16682470 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC4=CC(=CC=C4)Cl.[Br-] Br- 1 5.557 2 0 7.7684110676473 16682469 C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=O)CCCCCN.Cl Cl- 1 0.949 3 3 0 -8.7786805542415 16682468 CCCCCCC(=O)C1=C(N(C(=O)NC1=O)C2=CC=CC=C2OC)[O-].C[NH+](C)C NMe3 1 2.672 2 5 0 -11.8869141680158 16682467 CCN(CC)CC1=C(C=CC(=C1)Br)OCC.Cl Cl- 1 3.681 1 1 0.660927529801941 16682466 CC(C)[C@H](C(=O)NN=CC1=CC2=NC=CN=C2C=C1)N.Cl Cl- 1 0.848 5 1 0 -6.16334630490053 16682465 CCN(CC)CC.C[C@H]1C2=CC(=C(C=C2CCN1C(=S)NC3=CC=C(C=C3)F)OC)OC NEt3 1 5.256 2 2 -15.9736867038457 16682464 C1COCCN1CCCNC2C3CC4CC(C3)CC2C4.Cl Cl- 1 1.93 2 1 0 -1.1809222205028 16682463 CCOC1=C(C=C(C=C1)C)CN(CCCl)CCCl.Cl Cl- 1 4.052 1 1 0.193864342101882 16682462 CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)CCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl Cl- 1 2.191 5 7 0 -21.1070120491992 16682461 CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)[C@@H]3CCCN3.Cl Cl- 1 3.17 3 1 -11.6568967847421 16682460 CC(=C)CSC1=NN=C(O1)[C@@H]2CCCN2.Cl Cl- 1 1.678 3 1 0 -15.6582667574233 16682459 CCCCOCCCNC(=O)N[C@@H](C(C)CC)C(=O)OC 1 2.12 2 4 -25.3465783944082 16682458 CC1=CC=C(O1)C2=CC(=NN2)C(=O)NN=C/C=C/C3=CC=CC=C3OC 1 3.25 4 3 0 1.15526737864984 16682457 CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)CN4CCN(CC4)C)OCC)OCC)OCC.Cl Cl- 1 4.464 3 5 0 -16.8098658691424 16682456 CC1=CC=CC2=C1N=C(C(=C2SC(=N)N)CC=C(Cl)Cl)C.Cl Cl- 1 4.704 3 0 0.290443736936158 16682455 COC1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2)C(=O)[O-])C(=O)C4=CC=CC=C4.O H2O 1 3.015 1 4 -4.6994336763872 16682454 C1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2)C(=O)[O-])C(=O)C4=CC=CC=C4.O H2O 1 3.032 1 3 -5.0540153456065 16682453 CCC(C)[C@@H](C(=O)OC)NC(=O)NC1CCCC2=CC=CC=C12 1 3.459 2 3 -18.3163994154976 16682452 COC1=CC=CC=C1/C=C/C=NNC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 2.909 4 2 0.265303603949833 16682451 CCC(C)[C@@H](C(=O)OC)NC(=O)N1CCCCCC1 1 2.439 2 3 -19.9340012996556 16682449 CC(=NNC1=NC(=CS1)C2=CC=C(C=C2)N3C(=O)CCC3=O)C.Br Br- 1 1.222 4 2 0 -6.50440471953224 16682448 CCCCCOC1=C(C=C(C=C1)C)CN(CCCl)CCCl.Cl Cl- 1 5.488 1 1 1.03213910143357 16682447 CCCOC1=C(C=C(C=C1)C)CN(CCCl)CCCl.Cl Cl- 1 4.576 1 1 1.5296595254981 16682446 CCC(C)[C@@H](C(=O)OC)NC(=O)NCCCOC(C)C 1 1.517 2 4 0 -26.1220742489736 16682445 C/C(=C\C1=CC=CO1)/C=NNC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 0.806 6 4 0 -22.348331078252 16682444 CC1=NN=C(C2=CC=CC=C12)NC3=CC4=C(C=C3)N5CCN(CC5=N4)CCOC.Cl Cl- 1 2.531 6 1 0 -4.70376763034833 16682443 CCC1=NNC(=N1)CCN.Cl Cl- 1 -0.24 4 0 0 -2.75745433298181 16682442 CC1(CC(CC(N1)(C)C)NC2C3CC4CC(C3)CC2C4)C.Cl Cl- 1 2.781 2 0 -1.62411269191276 16682441 CCOC(=O)CN1C(=[N+](C2=CC=CC=C21)CC(=O)C3=CC=CC=C3)C.[Br-] Br- 1 3.56 2 3 -5.04413639776466 16682440 CC1=CC2=C(C=C1)OC=C(C2=O)C=NNC(=O)[C@H](CC3=CC=CC=C3)N.Cl Cl- 1 1.994 3 3 0 -2.86125238678683 16682439 CC1=CC(=C(C=C1)OCC(C)C)CN(CCCl)CCCl.Cl Cl- 1 4.895 1 1 -2.80371081049913 16682438 CC1=CC=CC=C1N\2C(=O)C(S/C2=C(\C#N)/C(=O)N)CC3=CC=C(C=C3)F 1 3.638 3 2 -5.36870277459974 16682437 CC[N+](C)(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Br-] Br- 1 4.117 1 0 2.8315560583691 16682436 CCCCCC[N+](C)(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Br-] Br- 1 6.01 1 0 2.23371403019559 16682435 CC1=CC(=C(N1CC2=CC=CC=C2)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)CC(=O)N5CCCC5 1 3.66 6 2 0 -25.168780528592 16682434 CC1=CC=C(S1)C=NNC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.238 3 1 -5.18525038809538 16682433 CCCC1=C(C2=C(C=CC(=C2)OCCC)N=C1C)SC(=N)N.Cl Cl- 1 4.724 3 1 1.15884981536971 16682432 CCN(CC)CCOC(=O)/C=C/C1=CC=CC=C1.Cl Cl- 1 2.989 1 2 -2.26803610181949 16682431 CCC(C)[C@@H](C(=O)OC)NC(=O)NCC1=CN=CC=C1 1 1.293 3 3 0 -22.1847587653233 16682430 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)NC4=CC=C(C=C4)C.[Cl-] Cl- 1 4.431 3 1 -1.22603434730505 16682429 C/C(=C\1/C(=O)NC(=O)N(C1=O)C2CCCCC2)/NCC3CCCO3 1 1.287 3 4 0 -15.278204657655 16682428 CC1=CC=CC2=C1N=C(C(=C2SC(=N)N)CC=C)C.Cl Cl- 1 3.963 3 0 -2.26939915682433 16682427 CC1CCCCC1NC(=O)N[C@@H](C(C)C)C(=O)OC 1 2.581 2 3 -21.0536253860015 16682426 CC1=CC(=O)OC2=C1C=CC(=C2)OCCC[N+]3=CC=CC=C3.[Br-] Br- 1 3.645 1 3 -0.330062536823293 16682425 CCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=C(C=C3)C)O.Cl Cl- 1 3.115 3 2 -1.89422725040223 16682424 CCCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=C(C=C3)C)O.Cl Cl- 1 3.639 3 2 -2.94827045762476 16682422 C=CCN1CC[C@]23C4C(=O)CC[C@]2(C1CC5=C3C(=C(C=C5)O)O4)O 1 1.453 1 4 0 -2.13251339052799 16682420 CC1=CC(=O)C2C(C1)CC3[C@@]2(C(=O)CC4C3CCC5[C@@]4(CCC(C5)OC(=O)C)C)C 1 4.222 0 4 -8.99987273684151 16682419 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/N=C(\N)/SC 1 0.255 3 3 0 -7.47205528234391 16682418 C1=CC=C(C=C1)N/N=C/2\C=CC(=O)C=C2C(=O)O 1 2.137 2 3 -2.91358364757283 16682417 CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CN)N)N)C CCS(=O)(=O)O 1 -0.581 6 0 0 8.80926908865072 16682415 COC1=C/C(=N/NC2=CC=CC=C2C(=O)O)/C=CC1=O 1 1.865 2 4 0 -2.73183599349718 16682414 CC1=C/C(=N\N=C\2/C=CN(C=C2C)O)/C=CC1=NC 1 1.448 4 1 0 -1.21773865990361 16682413 CC1=NC(=CS1)C2CCC3[C@@]2(CCC4C3CCC5=CC(=O)CC[C@]45C)C 1 4.793 1 1 -17.6794839449187 16682412 C[C@]12CCC(CC1CCC3C2CC[C@]4(C3CCC4C5=CC(=NN5)C(F)(F)F)C)O 1 5.769 2 1 -7.76871328661158 16682410 C[C@]12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OCC(=O)O 1 3.645 0 4 -14.2273741137463 16682409 CC1CC2C3C=C(C4=CC5=C(C[C@@]4(C3C(C[C@@]2([C@]1(C(=O)C)O)C)O)C)C=NN5C6=CC=CC=C6)C 1 4.401 2 3 -5.75139095408468 16682408 CC1=C(NC(=NC1=O)/N=C(\N)/N(C)C)C 1 -0.397 5 1 0 -7.77159050056654 16682407 C[C@]12CCC(=O)C=C1CCC3C2C(C[C@]4(C3CCC4C5=CSC(=N5)C6=CC=CC=C6)C)O 1 5.288 1 2 -6.59672068622615 16682405 CC1C2CC[C@]3(C=CC(=O)C(=C3C2OC1=O)C)C 1 2.601 0 3 -0.796107941520063 16682404 CC1CCC2[C@@]([C@]3(C(C[C@]4(C5CCC6[C@]7([C@]5(C[C@]4(C3CN2C1)O)O[C@@]6(C(CC7)OC(=O)C8=CC(=C(C=C8)OC)OC)O)C)O)O)O)(C)O 1 0.763 1 11 0 -9.58788732668704 16682403 CC1=CC2=C(C=C1N)SC3=CC(=[N+](C)C)C=CC3=N2.Cl Cl- 1 2.62 3 0 0.659184150688463 16682402 CC(=O)C1CCC2[C@@]1(CC([C@]3(C2CCC4=CC(=O)CC[C@@]43C)F)O)C 1 2.819 0 3 -11.2553128145336 16682401 CN(C)C1=CC=C(C=C1)/C=C\2/C=C(OC2=O)C3=CC4=C(CCCC4)C=C3 1 5.225 1 2 -5.64772391525474 16682400 CC(CCC(=O)O)C1CC[C@@]2([C@@]1(CC(=O)C3C2C(=O)CC4[C@@]3(CCC(C4(C)C)O)C)C)C 1 3.559 0 5 -13.8927694697349 16682399 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC)/C(=N/C3=NC(=CC(=N3)C)C)/N 1 3.712 5 3 0 -2.26044986076999 16682398 CC(=C)CSC1=NN=C(O1)[C@H](CC2=CC=CC=C2)N.Cl Cl- 1 2.689 3 1 -12.3983555557027 16682397 CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3CCC4=C2C=C(C=C4)NC(=O)C5=CC(=C(C(=C5)OC)OC)OC.Cl Cl- 1 4.032 4 5 0 -10.3316520522408 16682396 CC(C)(C)OC(=O)N1CCC[C@H]1C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)Br 1 3.369 4 4 0 -16.5481659636672 16682395 CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C\NC4CCS(=O)(=O)C4)/C2=O)C 1 2.352 2 4 -10.2165010068739 16682394 C1C[C@H](NC1)C2=NN=C(O2)SCC3=C(C=CC=C3Cl)Cl.Cl Cl- 1 3.527 3 1 -12.4830968391481 16682393 COC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64.[Cl-] Cl- 1 5.513 3 2 4.44382310934962 16682392 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)NC4=CC=CC=C4C.[Cl-] Cl- 1 4.431 3 1 -3.15270477541359 16682391 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C)/NCC3=CN=CC=C3 1 2.09 4 3 0 -10.6063683531442 16682390 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=CC2=CC=CC3=C2N=CC=C3 1 2.641 4 3 0 -10.0260080731628 16682389 CC1CCCCN1C(=O)N[C@@H](CC(C)C)C(=O)OC 1 2.293 2 3 -15.9879174341187 16682388 C/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)/NCC3CCCO3 1 0.989 3 5 0 -12.6185877192329 16682386 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=CC2=CC3=NC=CN=C3C=C2 1 1.919 5 3 0 -10.0944625308921 16682385 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=C/C=C/C3=CC=CC=C3 1 3.261 5 1 -11.5892687448445 16682384 C1=CC=C2C3C4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=CC=N6 1 3.188 2 2 -5.21529528006881 16682383 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=CC2=CC3=C(C=C2)N=CC=C3 1 2.641 4 3 0 -9.87443402856227 16682382 CC1=CC(=C(C=C1)NC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=CC=C4)C.[Cl-] Cl- 1 4.431 3 1 -3.63657291838176 16682381 CCOC(=O)CN1C2=CC=CC=C2N(C1=N)CCOC3=CC=C(C=C3)Br.Cl Cl- 1 3.595 3 3 -4.22462691848708 16682380 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=CC2=C3C(=CC=C2)N=CC=N3 1 1.919 5 3 0 -9.44693324125439 16682379 CC1=CC(=CC=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4)O.Cl Cl- 1 4.35 3 2 0.356096977538905 16682378 C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl.[Cl-] Cl- 1 5.735 2 0 7.60694178596648 16682377 CC1=CC=C(C=C1)C[N+]2=C3CCCN3C(=C2)C4=CC=C(C=C4)Cl.[Cl-] Cl- 1 5.557 2 0 8.43326072818403 16682376 CCN(CC)CC1=CC=CC=N1.Cl Cl- 1 1.665 2 0 0 -1.07949463575278 16682375 C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC3=CC=CC=N3.[Br-] Br- 1 4.057 2 0 -0.632698847238365 16682374 CC(CN1CCOCC1)OC(=O)C2=CC=CC=C2.Cl Cl- 1 1.889 1 3 0 -7.59121387838764 16682373 COC1=C(C=C(C=C1)CC(C(=O)OC)N)[N+](=O)[O-].Cl Cl- 1 0.977 2 5 0 -7.67406774935531 16682372 C1CC2=[N+](C=C(N2C1)C3=CC(=C(C=C3)Cl)Cl)CC(=O)C4=CC=CS4.[Br-] Br- 1 5.361 2 1 -0.71648940058874 16682371 CC1=CC=C(C=C1)NC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=CC=C4.[Cl-] Cl- 1 3.945 3 1 -0.874231821402699 16682370 CC(C)C[C@@H](C1=NN=C(O1)SCC2=CC=C(C=C2)Cl)N.Cl Cl- 1 3.55 3 1 -11.0595948882932 16682369 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)C4=CC=CS4.[Br-] Br- 1 4.518 2 1 -1.56008100892658 16682368 CCC(=O)N(C)CCC1=CC2=C(C(=C1C=NNC(=O)[C@H]3C[C@@H]3C4=CC=CC=C4)OC)OCO2 1 3.133 3 5 0 -8.32464039839835 16682367 CC1=CC(=CC=C1)N2C(=CC(=C2C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C)C 1 4.084 5 1 -11.6158121170631 16682366 CCOC(=O)/C(=C(\C)/NNC(=O)C(=O)NC1=C(C=CC(=C1)Cl)Cl)/N=O 1 1.81 4 5 0 -4.7823062182658 16682365 C[C@@H](C(=O)NN=CC1=CC2=CC=CC=C2OC1)NC(=O)OC(C)(C)C 1 2.195 3 4 0 -7.94458786797424 16682364 CC(C1=CC=CC=C1)N/C=C\2/C(=O)NC(=S)N(C2=O)C3CC3 1 1.906 3 2 0 -7.62131010145231 16682363 C1CC2=[N+](C=C(N2C1)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl.[Cl-] Cl- 1 5.07 2 0 7.95874431186883 16682362 C1CCN(CC1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=C(C=C4)Cl)Cl.Br Br- 1 4.799 4 1 -4.10363013510108 16682361 CC1=C(C(=CC=C1)C)NC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=CC=C4.[Cl-] Cl- 1 4.431 3 1 -3.19115312920816 16682360 CCC1=CC=C(C=C1)NC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=C(C=C4)C.[Cl-] Cl- 1 4.887 3 1 -0.639153540866585 16682359 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NCC2=CC3=C(C=C2)OCO3 1 1.562 3 5 0 -14.974246465637 16682358 CC1=CC=C(C=C1)C#CC[N+]2(CCCCC2)C.[Br-] Br- 1 2.542 1 0 1.67329017421124e-003 16682357 CC1=C(C=C2C(=C1)C=CC3=CC=CC=C32)CN(C)C.Cl Cl- 1 4.206 1 0 4.81008497829028 16682356 CC[N+](CC)(CC#CC1=CC=CC=C1)CC#CC2=CC=CC=C2.[Br-] Br- 1 4.01 1 0 2.85715045912371 16682355 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)NC4=C(C=CC=C4C)C.[Cl-] Cl- 1 4.917 3 1 -2.80753908070199 16682354 CC[N+](CC)(CC#C)CC#CC1=CC=CC=C1.[Br-] Br- 1 3.028 1 0 1.17915747043721 16682353 CCOC(=O)/C(=C(\C)/NNC(=O)C(=O)NC1=CC=C(C=C1)Cl)/N=O 1 1.145 4 5 0 -5.09164412707298 16682352 CCCCN1C(=O)/C(=C(\C)/NCC2=CC3=C(C=C2)OCO3)/C(=O)NC1=O 1 1.751 3 5 0 -10.6209944118637 16682351 CC1CC(C(CN1C)C)(CCN(CCC#N)CC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3.Cl Cl- 1 4.862 3 2 -6.57323697594431 16682349 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)NC4=CC=CC=C4.[Cl-] Cl- 1 3.945 3 1 -0.556369543460848 16682348 C1=CC=C(C(=C1)CSC2=NN=C(O2)CCN)Cl.Cl Cl- 1 2.082 3 1 -15.2701898140455 16682347 CC1=CC=CC=C1N2C(=O)/C(=C(\C)/NCC3CCCO3)/C(=O)NC2=O 1 1.492 3 4 0 -12.8159654507204 16682346 CC1=CC2=C(C=C1)N=C3CCCC3=C2NC4=CC=CC=C4.Cl Cl- 1 5.116 2 0 6.06966448537337 16682345 CN(C)CCOC(=O)CCCCCCCCC(=O)OCCN(C)C.Cl Cl- 1 3.106 2 4 -7.49715935526004 16682344 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC4=CC=C(C=C4)Cl.[Cl-] Cl- 1 5.557 2 0 8.43326072818403 16682343 CCN(CC)CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(S3)Br.Br Br- 1 3.772 4 1 -5.03338212317106 16682342 C1C[N+]2=C(N(CC2(C3=CC=CS3)O)C4=CC=C(C=C4)Br)SC1.[Br-] Br- 1 4.344 2 1 -10.078315950323 16682341 COC1=CC(=C(C=C1)N2CCCC2=N)OC.Cl Cl- 1 1.433 2 2 0 -5.05498462808566 16682340 C[N+](C)(CC=C)CC(=O)OCC#C.[Cl-] Cl- 1 0.481 1 2 0 -10.8883247800533 16682339 CCCN1C2=CC=CC=C2N(C1=N)CC(C3=CC=C(C=C3)C)O.Cl Cl- 1 3.59 3 1 -0.219529647146143 16682338 C1CCN(CC1)CCN2C3=CC=CC=C3N(C2=N)CC(C4=CC=CO4)O.Cl Cl- 1 2.576 4 2 -4.05744460201863 16682337 CC1=CC=CC=C1NC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=CC=C4.[Cl-] Cl- 1 3.945 3 1 -3.60733759440739 16682336 C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)F)CC(=O)C4=CC=CS4.[Br-] Br- 1 4.237 2 1 -0.848203983461326 16682335 CCC1CC(OC1=O)CSC(=N)N.Br Br- 1 1.466 2 2 0 -3.7901700175997 16682334 CCC(C)NC1=NC(=NC2=C1OC3=CC=CC=C32)C.Cl Cl- 1 3.064 3 1 -0.605680445151315 16682332 C1[C@@H]([C@H]1C(=O)NN=CC2=CC=CC3=C2N=CC=C3)C4=CC=CC=C4 1 3.247 3 1 -3.56006181188288 16682330 COC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)C4=CC=CS4.[Br-] Br- 1 4.015 2 2 -1.97304721807072 16682329 C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)Cl)CC(=O)NC4=NC(=CS4)C5=CC=CC=C5.[Cl-] Cl- 1 5.067 4 1 4.5742538426657 16682328 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NCCN2CCN(CC2)C(=S)NC 1 1.18 6 3 0 -22.1944108261146 16682326 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)NC4=C(C=C(C=C4)C)C.[Cl-] Cl- 1 4.917 3 1 -3.80847119427646 16682325 C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)Cl)CC(=O)NC4=NC(=CS4)C5=CC=C(C=C5)F.[Cl-] Cl- 1 5.273 4 1 4.92204370958778 16682324 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C)/NCCCN3CCOCC3 1 1.546 4 4 0 -11.2172425678621 16682322 C1CC(OC1)CNCC2=CC=C(O2)C3=CC=C(C=C3)Cl.Cl Cl- 1 3.382 1 2 5.8987381134065 16682321 CC[N+](C)(CC)CCCC(=NO)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[I-] I- 1 2.474 2 2 -5.03973533431628 16682320 C1=CC=C(C=C1)N2C3=C(C=[N+](C=C3)CC(=O)C4=CC=C(C=C4)Cl)N=N2.[Br-] Br- 1 4.742 4 1 3.02488732995262 16682319 C1=CC(=CC=C1[N+](=O)[O-])SCCC2=CC=[NH+]C=C2.[Cl-] Cl- 1 3.569 2 2 3.36188806188565 16682318 CCN1CCCC1CNCC2=CC(=C(C=C2)OCC3=CN=C(C=C3)Cl)OC.Cl Cl- 1 3.618 3 2 -8.60785218555568 16682317 CC(=O)OC1=C(C=C(C=C1OC)C=NNC(=O)C[N+]2=CC=CC=C2)OC.[Cl-] Cl- 1 1.874 3 5 0 -10.7779302650299 16682316 CC1CCCN1CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl Cl- 1 4.261 1 1 -2.02769483910616 16682315 CCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=NC=CC=N3)C4=CC=C(C=C4)C)/O 1 3.513 3 4 0 -4.61547917620992 16682314 CN(C)CC#CCN1C2=CC=CC=C2C3=CC=CC=C31.Cl Cl- 1 4.258 2 0 1.00334411479555 16682313 CC(C)C1=C[N+](=CC=C1)C\2=NC(=O)S/C2=C\[O-] 1 2.252 2 2 -4.82793381320826 16682312 CCC[N+](C)(C)C(C)C(C1=CC=CC=C1)OC(=O)C.[I-] I- 1 1.667 1 2 0 -4.53862119541527 16682311 CCO.C1=CC=C(C(=C1)C2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N)[N+](=O)[O-] CCO 1 0.22 3 6 0 -9.02446310483668 16682310 CC1(C2CCC1(C(=O)N(C2=O)CC(CN3CCN(CC3)CC4=CC=CC=C4)O)C)C.Cl Cl- 1 2.466 3 3 -5.20234419708715 16682309 CC1(C2CCC1(C(=O)N(C2=O)CCCCN3CCN(CC3)CC4=CC=CC=C4)C)C.Cl Cl- 1 3.62 3 2 -1.80016699170156 16682308 CCN(CC)CC(CCCCCCCCC(=O)OC)O.Cl Cl- 1 3.52 1 3 -14.9637702650938 16682307 CCCCCCCCCCCC(=O)NC(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)[O-].[NH4+] NH4+ 1 4.072 2 6 0 -15.7325498927959 16682306 CCCCN1C(=O)/C(=C(\C)/NCC2=CN=CC=C2)/C(=O)NC1=O 1 0.832 4 3 0 -11.4486298750479 16682305 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NCCN2CCN(CC2)C(=S)NC 1 0.657 6 3 0 -21.6030524763497 16682304 CCCCNCC1=CC(=C(C=C1)OCC2=CN=C(C=C2)Cl)OC.Cl Cl- 1 3.97 2 2 -5.76815234646047 16682303 CN(C)C1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)OC.[Cl-] Cl- 1 2.836 2 2 -3.42447393031372 16682302 CCCC1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)[N+](=O)[O-].Br Br- 1 3.073 5 2 0 -8.2735031822931 16682301 C1=CC(=CC=C1OCC(C[NH+](CCO)CCO)O)Br.[Cl-] Cl- 1 -0.45 1 4 0 -0.569756642757789 16682300 CC(C)[C@H](C(=O)NN=CC1=CC2=C(C=C1)N=CC=C2)N.Cl Cl- 1 1.571 4 1 0 -5.94331780257066 16682299 CN1C2=C(N=C1NN/C=C\3/C(=O)NC(=S)N(C3=O)C4CC4)N(C(=O)N(C2=O)C)C 1 -0.553 8 4 0 -12.6594860300609 16682298 C[N+]1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4C=C3)OC(=C2C#N)N.[I-] I- 1 3.374 3 1 -2.35590068793852 16682297 C1CCCN(CC1)CC(CN2CCCCCC2)OCC3=CC=CC=C3.Cl Cl- 1 4.686 2 1 -0.370293271725309 16682296 CC1=C2C3=CC(=NC(=C3SC2=C(C=C1)C)C)C.Cl Cl- 1 4.278 1 0 0.589897545608173 16682295 CCOCCCN1C(=NC2=C[N+](=CC(=C21)Br)CC(=O)C3=CC4=CC=CC=C4C=C3)C.[Br-] Br- 1 4.609 3 2 -3.75363761401936 16682294 CN1C2=C(C=[N+](C=C2N=N1)CC(=O)C3=CC=C(C=C3)Cl)Br.[Br-] Br- 1 3.914 4 1 0.895443835916353 16682293 CCC1=CC=C(C=C1)NC(=O)N[C@@H](C(C)CC)C(=O)O 1 3.153 2 3 -14.9655354503306 16682292 CCC(C)[C@@H](C(=O)OC)NC(=O)N1CCCCC1 1 1.983 2 3 0 -19.9340012996556 16682291 CCC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC2=C(C=C1)OCCO2 1 2.222 2 5 0 -22.0045316871416 16682290 CC1=CC=[N+]2N1CC(C2)O.[Cl-] Cl- 1 0.172 2 1 0 -0.179307785153293 16682289 C1C[C@H](NC1)C2=NN=C(O2)SCC3=CC=CC=C3Cl.Cl Cl- 1 2.862 3 1 -13.6391792813373 16682288 C/C(=C\1/C=NC2=CC=CC=C21)/NNC(=O)C3=CC=CC=N3 1 1.475 4 1 0 -5.52119007711329 16682287 COC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=NC=CC=N3)C4=CC=C(C=C4)F)/O 1 2.884 3 4 0 -3.13737899903664 16682285 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=CC2=NC3=C(C=C2)C=C(C=C3)OC 1 3.054 4 4 0 -6.90862899538176 16682284 CCC[N+]1(CCCCC1)CC#CC(C2CCCCC2)(C3=CC=CC=C3)O.[Br-] Br- 1 4.463 1 1 -4.24587831285843 16682283 CCC(CC)C1=NN2C(=C(C(=O)N=C2S1)/C=C/3\C(=NC4=CC=CC=C43)C)N 1 3.966 5 1 -12.3612633340549 16682282 CC(C)CCC(CCNCCCOC)C1=CC2=C(C=C1)OCO2.Cl Cl- 1 3.716 1 3 -5.29826718731878 16682281 C1CCN(CC1)CC(=O)C2=CC3=C(C=C2)OCO3.Cl Cl- 1 2.261 1 3 -4.95231881318306 16682279 C1=CC=[N+](C=C1)CC2=C(N3C=CC=CC3=N2)Br.[Br-] Br- 1 2.956 3 0 0.328447423607964 16682278 COC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4.Cl Cl- 1 3.446 4 2 -0.621979440403616 16682277 CCC1=NN=C2N1N=C(CS2)C3=CC(=CC=C3)[N+](=O)[O-].Br Br- 1 2.617 5 2 0 -7.43016818400125 16682276 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)/NCC3=CC4=C(C=C3)OCO4 1 2.005 3 5 0 -9.21220181210496 16682275 CCCC[N+]12CCC(CC1)C(C2)CC3=CC=CC=C3.[Br-] Br- 1 2.859 1 0 -0.37396883121449 16682274 C[N+]1(CCOCC1)CC(CCCCCCCCC(=O)OC)O.[I-] I- 1 1.156 1 4 0 -16.4558199421167 16682273 CC(=O)NC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)Cl.[Br-] Br- 1 2.475 2 2 -2.7968657209271 16682272 CC1=CC=C(C=C1)C2=C[N+]3=C(N2C4=CC=CC=C4)CCC3.[Br-] Br- 1 4.885 2 0 2.86864857974614 16682271 COC(=O)CC=NNC1=NC(=O)/C(=C/C(=O)O)/S1 1 0.223 3 5 0 -10.007814532796 16682270 COC1=C(C=C(C=C1)Cl)CN2CCOCC2.Cl Cl- 1 2.239 1 2 1.31294270319379 16682269 COC1=CC=CC=C1C\2=C(NN/C2=C/3\C=CC(=O)C=C3O)C(F)(F)F 1 1.697 2 3 0 -2.8469843590743 16682268 C1=CC=C(C=C1)COC2=CC(=O)/C(=C/3\C(=CN=C(N3)N)C4=CC=CC=C4)/C=C2 1 2.553 3 2 -3.33385118990783 16682267 CCCCCCCCCC[N+](C)(C)CC#CC.[Br-] Br- 1 4.172 1 0 -6.66579726641934 16682266 C[N+]1=C(SC2=CC=CC=C21)/C=C/C=C/C3=CC=C(C=C3)N(C)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 5.373 2 0 8.92127161206095 16682265 C1CCC(CC1)NCCOC(=O)NC23CC4CC(C2)CC(C4)C3.Cl Cl- 1 3.621 2 2 -5.6664875752636 16682264 COC1=CC=C(C=C1)C\2=CN=C(N/C2=C/3\C=CC(=CC3=O)OCC4=CC=CC=C4)N 1 2.537 3 3 -2.90822657205348 16682263 CCCOC(=O)C1=CC=C(C=C1)OC\2=CNN/C2=C/3\C=CC(=O)C=C3O 1 1.054 2 5 0 -7.9626080185576 16682262 COC1=CC=C(C=C1)OCC(=O)NCCCN2C=CN=C2.Cl Cl- 1 0.661 3 3 0 -7.75850636582095 16682261 CN1CCCC(C1)OC(=O)C2=CC=C(C=C2)Cl.Cl Cl- 1 2.978 1 2 -2.31135049387984 16682260 CN(C)CCCOC(=O)COC1=CC=C(C=C1)Br.Cl Cl- 1 2.47 1 3 -4.21947650168462 16682259 CC(C)CCOC1=C(C=C(C=C1)CSC(=N)N)C(=O)OC.Cl Cl- 1 3.426 2 3 -9.30073339745812 16682258 CC[N+](C)(CC)CC(=O)OCC1C(CC(=CC1C)C)C.[I-] I- 1 2.064 1 2 -7.96513551019572 16682257 COC1=CC=C(C=C1)C(=O)CN2CC3=CC=CC=C3C2=N.Br Br- 1 2.291 2 2 -7.16181648445527 16682256 COC1=CC=C(C=C1)C2=C[N+]3=C(N2C4=CC=CC=C4)SCC3.[Br-] Br- 1 4.629 2 1 -0.371149401018704 16682255 C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)/C=C/C4=CC=CC=C4.[Br-] Br- 1 4.462 1 3 -3.10801870382144 16682254 C1CSC2=[N+]1C=C(N2C3=CC=CC=C3)C4=CC=CC=C4.[Br-] Br- 1 4.645 2 0 -0.725731070238009 16682253 CN1CCN(CC1)C(=O)CC2=CC=CC=C2.Br Br- 1 1.236 2 1 0 -5.84752645304409 16682252 CCC(C)[C@@H](C(=O)O)NC(=O)NCC1=CC=C(C=C1)F 1 2.423 2 3 -16.2917279888961 16682195 CC(C)C1=NC(=NC(=C1)C2=NOC(=C2)C(=O)NCC3=CC=CC=C3)NC4CCCC4 1 4.635 5 2 0 -8.77046182434446 16682196 CCCNC(=O)C1=C(ON=C1CSC2=CC=CC(=C2)OC)C(=O)NCCC 1 3.06 3 4 0 -7.7105232407679 16682197 COC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)NCC=C)C(=O)NCC=C 1 2.549 3 4 0 -9.95398590727826 16682198 CCCNC(=O)C1=C(ON=C1CSC2=CC=CC=N2)C(=O)NCCC 1 2.465 4 3 0 -11.7187864159918 16682199 C=CCNC(=O)C1=C(ON=C1CSC2=CC=CC=N2)C(=O)NCC=C 1 1.954 4 3 0 -13.9622490825022 16682200 CC(C)CCNC(=O)C1=C(ON=C1CSC2=CC(=C(C=C2)F)F)C(=O)NCCC(C)C 1 4.904 3 3 -9.03684461079554 16682201 C1=CC=C(C=C1)C\2=NC3=CC=CC=C3N/C2=C/4\C=CC=CC4=O 1 3.74 2 1 -9.49693366158393 16682202 COC(=O)NN=CC1=C/C(=N/NC2=CC=CC=C2)/C=CC1=O 1 2.232 4 3 0 -8.7269123329852 16682203 CC(C)NC(=O)C1=C(ON=C1CSC2=CC=CC=N2)C(=O)NC(C)C 1 2.173 4 3 0 -13.1601434772797 16682204 CCC(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CN=CC=C4)C(=O)C5=C(O2)C=CC(=C5)F 1 1.715 3 4 0 -6.03036112465813 16682205 CCOC(=O)C1=C(SC2=C1CCC2)N/C=C/3\C=CC=C(C3=O)[N+](=O)[O-] 1 2.759 2 5 0 -15.3359725767535 16682206 CC(C)C1=NC(=NC(=C1)C2=NOC(=C2)C3=CC=C(C=C3)Cl)NCCOC 1 4.493 4 2 3.20605953296461 16682207 CCCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)F)C(=O)NCCC 1 3.282 3 3 -6.00915148845299 16682208 CC1=CC=C(C=C1)C(=O)CN2C=NC=N2.Cl Cl- 1 1.537 3 1 0 -9.55812381788628 16682209 C1C2CON(C2C3=NC4=CC=CC=C4N31)CC5=CC=CC=C5 1 2.675 3 1 1.16138791200385 16682210 C1CN(CCC12C3(CC(=NO3)C4=CC=CC=C4)C(=O)C5=C(O2)C=CC(=C5)F)C(=O)C6=CC7=C(C=C6)OCO7 1 3.631 2 6 0 -4.06253858582134 16682212 CCO.C1CCC2=C(C1)C(=C(C(=N2)SC(C3=CC=CC=C3)C(=O)O)C#N)C4=CC=CS4 CCO 1 5.831 2 2 -12.7330716273581 16682213 CN1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54.Cl Cl- 1 4.305 3 1 -1.31363407119188 16682214 C1=CC(=C(C=C1Cl)Cl)C(=O)CN2C=C[N+](=C2)CC(=O)C3=C(C=C(C=C3)Cl)Cl.[Br-] Br- 1 6.435 2 2 9.21220268945364 16682215 C1C(N(C2=CC=CC=[N+]21)CC3=CC=CC=C3)(C4=CC(=C(C=C4)Cl)Cl)O.[Br-] Br- 1 5.674 2 1 -3.51189456385757 16682216 C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=NC(=O)N3)Cl.Cl Cl- 1 2.976 3 2 -2.2775825042524 16682217 CC1(C2(CCC1([C@@H](C2=O)Br)C(=O)NC3=C(C(=CC=C3)Cl)Cl)C)C 1 4.606 1 2 -6.06058466503915 16682218 CC1(C2(CCC1([C@@H](C2=O)Br)C(=O)NC3=CC=C(C=C3)Cl)C)C 1 3.941 1 2 -4.67479661203327 16682251 COC1=C(C=C(C=C1)C\2=CNN/C2=C/3\C=CC(=CC3=O)OCC4=CC=CC=C4F)OC 1 2.522 2 4 -5.5296115889485 16682250 CC1=C(/C(=C\2/C=CC(=CC2=O)OCC(=O)NN)/NN1)C3=CC=C(C=C3)OC 1 -0.374 4 4 0 -8.74925025313328 16682249 CN1C2=C(N=C1NN/C=C\3/C(=O)NC(=S)N(C3=O)C4CCCCC4)N(C(=O)N(C2=O)C)C 1 0.816 8 4 0 -12.9605133575025 16682248 CCC(C)N1C(=O)/C(=C/NCC2=CN=CC=C2)/C(=O)NC1=S 1 1.139 4 2 0 -8.30896142545624 16682247 C1CSC2=[N+]1C=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br.[Br-] Br- 1 5.394 2 0 0.407155753610817 16682246 CN1CCCC(C1)OC(=O)C2=CC(=CC=C2)Cl.Cl Cl- 1 2.978 1 2 -2.44906061067074 16682245 CC1=C/C(=N\NC2=NC3=C(N2)C(=O)N(C(=O)N3C)C)/C(=O)C=C1 1 0.762 6 3 0 -9.55226649783798 16682244 CC1=CC2=C(C=C1)N(C3=C2CCCC3NCC4=CC=CC=C4)CC(OC)OC.CS(=O)(=O)O CS(=O)(=O)O 1 5.075 2 2 4.67460362325464 16682243 C1C[N+]2(CCC1C(C2)OC(=O)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-] Br- 1 2.017 2 5 0 -9.06404242847399 16682242 CC(=C)COC1=CC(=O)/C(=C/2\C(=CN=C(N2)N)C3=CC=CC=C3OC)/C=C1 1 2.017 3 3 -10.3398910833634 16682241 CCN(CC)CC#CC1=CC=C(C=C1)C.Cl Cl- 1 3.677 1 0 1.4187820037276 16682240 C/C(=C\C[N+](C)(C)CC(=O)OCCC1=CC=CC=C1)/Cl.[Br-] Br- 1 1.762 1 2 0 -5.03766559762627 16682239 CC(C)C[C@@H](C(=O)O)NC(=O)NC1CCCC2=CC=CC=C12 1 3.166 2 3 -13.875307665286 16682238 COC1=CC=CC=C1C\2=CNN/C2=C/3\C=CC(=CC3=O)OCC4=CC=CC=C4F 1 2.539 2 3 -4.56315941322037 16682237 CCCCOCCCNC(=O)N[C@@H](C(C)CC)C(=O)O 1 1.894 2 4 0 -22.7593569924906 16682236 CCC(C)[C@@H](C(=O)O)NC(=O)NCC1=CC=C(C=C1)Cl 1 2.882 2 3 -15.1816063237746 16682235 CC1=CC=C(C=C1)C2=C[N+]3=C(N2C4=CC=CC=C4)SCC3.[Br-] Br- 1 5.131 2 0 4.18168081254358e-002 16682234 CCCCCCCC[N+](C)(C)CC#CC.[Br-] Br- 1 3.26 1 0 -6.66579726641934 16682233 C1CCN(CC1)CC2=CC3=CC=CC=C3C4=C2COC4.Cl Cl- 1 3.286 1 1 3.69535511071886 16682232 C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)O.Br Br- 1 2.275 2 1 3.23210782554868 16682231 CN(C)CC(CCC(CN(C)C)C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2.Cl Cl- 1 4.201 2 2 -2.82264933048234 16682230 CCN(CC)CC1=CC(=C(C=C1)OC)Cl.Cl Cl- 1 3.249 1 1 1.22902762294201 16682229 CCC1(CC2(CCCN(C2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCO1)C.Cl Cl- 1 4.738 1 2 3.4396693862808 16682228 C1C2[C@@H](C(C1C3C2C(=O)N(C3=O)C4=CC(=CC=C4)Cl)O)O 1 0.727 1 4 0 2.94234977998646 16682227 CCCCCC[N+](C)(C)CC#CC.[Cl-] Cl- 1 2.348 1 0 -6.66579726641934 16682226 C1=CC(=CC=C1CN2C=CC(=N)C=C2)[N+](=O)[O-].Cl Cl- 1 1.417 3 2 0 -1.73248396119446 16682225 CN(C)CCOC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OCCN(C)C.Cl Cl- 1 2.429 2 4 -1.28012863793663 16682224 CCOC(=O)CN1C2=CC=CC=C2N(C1=N)CCOC3=CC=C(C=C3)F.Cl Cl- 1 3.052 3 3 -3.87808883850721 16682223 CCCCCC1=C(N=C(NC1=O)SCCN(C)C)O.Cl Cl- 1 3.303 3 2 -13.2975464727777 16682222 C1=CC(=CC(=C1)F)CN2C=CC(=N)C=C2.Cl Cl- 1 1.728 2 0 0 2.21614295981152 16682221 CCCCCCCCCCN1C=CC(=N)C=C1.Br Br- 1 4.005 2 0 -1.30517185525472 16682220 CCN1C2=C(CCC2)C(=N)C3=CC=CC=C31.Br Br- 1 3.082 2 0 -4.56183142747208 16682219 CC1(C2(CCC1([C@@H](C2=O)Br)C(=O)N3CCOCC3)C)C 1 1.594 1 3 0 -7.92045866270771 16682194 CCCNC1=NC(=CC(=N1)C)C2=NOC(=C2)C(=O)NCC3=CC=CC=C3 1 2.976 5 2 0 -7.98667091664022 16682193 CC1=NC(=NC(=C1)C2=NOC(=C2)C(=O)NCC3=CC=CC=C3)S(=O)(=O)C 1 2.293 4 4 0 -11.571170398371 16682192 CC(C)C1=NC(=NC(=C1)C2=NOC(=C2)C3=CC=CC=C3)NC4CCCC4 1 5.362 4 1 2.15833693068821 16682191 CC1=NC(=NC(=C1)C2=NOC(=C2)C(=O)NCC3=CC=CC=C3)NC4CCCC4 1 3.505 5 2 0 -9.64280541090087 16682190 CC1=NC(=NC(=C1)C2=NOC(=C2)C(=O)NC3CCCC3)NCC4CC4 1 2.742 5 2 0 -7.4600893422051 16682189 CC1=NC(=NC(=C1)C2=NOC(=C2)C3=CC=C(C=C3)Cl)NC4CCCC4 1 4.897 4 1 3.58250845103381 16682188 CC(C)C1=NC(=NC(=C1)C2=NOC(=C2)C3=CC=C(C=C3)Cl)NCC4CC4 1 5.444 4 1 4.95502620579125 16682187 CC1=NC(=NC(=C1)C2=NOC(=C2)C3=CC=CC=C3)NCC4CC4 1 3.65 4 1 1.78616751233281 16682186 C1CN(CCC12C3(CC(=NO3)C4=CC=C(C=C4)Cl)C(=O)C5=C(O2)C=CC(=C5)F)C(=O)C6=COC=C6 1 3.631 2 5 0 -4.19082791448976 16682185 C1CNCCC12C3(CC(=NO3)C4=CC=CC=C4)C(=O)C5=C(O2)C=CC(=C5)F 1 2.403 2 3 -2.39804468928327 16682184 CC(C)(C)OC(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CN=CC=C4)C(=O)C5=C(O2)C=CC(=C5)F 1 2.622 3 5 0 -4.77324056296724 16682183 CC(C)C(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CC=C(C=C4)Cl)C(=O)C5=C(O2)C=CC(=C5)F 1 3.992 2 4 -3.04187834047342 16682182 CCC(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CC=C(C=C4)Cl)C(=O)C5=C(O2)C=CC(=C5)F 1 3.53 2 4 -2.95479439802755 16682181 C1CN(CCC12C3(CC(=NO3)C4=CC=C(C=C4)Cl)C(=O)C5=C(O2)C=CC(=C5)F)C(=O)C6=CC7=C(C=C6)OCO7 1 4.295 2 6 0 -1.76602347891932 16682180 CC(C)NC(=O)C1=C(ON=C1CSC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 3.641 3 3 -13.1710173606176 16682179 CCCCNC(=O)C1=C(ON=C1CSC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 4.244 3 3 -11.4440932467628 16682178 C=CCNC(=O)C1=C(ON=C1CSC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 3.532 3 3 -12.9816746144616 16682177 CCCNC(=O)C1=C(ON=C1CSC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 3.788 3 3 -10.7382119479512 16682176 CC(C)CCNC(=O)C1=C(ON=C1CSC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 4.496 3 3 -12.9995774768123 16682175 CN(C)CCNC(=O)C1=C(ON=C1CSC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 3.054 4 3 0 -6.81019620439897 16682174 C1CC1CNC(=O)C2=C(ON=C2CSC3=CC=NC=C3)C(=O)NCC4CC4 1 1.821 4 3 0 -6.36922442180165 16682173 CCCCNC(=O)C1=C(ON=C1CSC2=CC=NC=C2)C(=O)NCCCC 1 2.838 4 3 0 -8.50421946745293 16682172 COCCNC(=O)C1=C(ON=C1CSC2=CC=NC=C2)C(=O)NCCOC 1 -8.1e-002 4 5 0 -9.21964577082265 16682171 CC(C)CCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCCC(C)C 1 5.157 3 3 -7.16039535219253 16682170 CN(C)CCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)F)C(=O)NCCN(C)C 1 1.815 5 3 0 -2.08113574490072 16682169 COCCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)F)C(=O)NCCOC 1 1.275 3 5 0 -7.43045909063429 16682168 CC1(C2(CCC1([C@@H](C2=O)Br)C(=O)NC3CCCCC3)C)C 1 3.559 1 2 -10.1182068686555 16682167 CC(=NNC(=O)CNC(=O)/C=C/C1=CC=C(C=C1)OC)CC2=CC=CC=C2 1 2.2 3 3 -13.0426610727518 16682166 C1=CC(=C(C(=C1)Cl)CN2C=CC(=N)C=C2)Cl.Cl Cl- 1 2.852 2 0 -1.40272528992387 16682165 C1CC2=[N+](C1)C=C(N2C3=CC=CC=C3)C4=CC=CC=C4.[Br-] Br- 1 4.399 2 0 2.1011007013827 16682164 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=[N+]2CC3=CC=C(C=C3)C(=O)O)NC4=CC=CC=C4.[Br-] Br- 1 7.756 2 3 0.301088996090766 16682163 CCCCC(CCC(=O)O)(C1=CSC(=N1)NC2=CC=C(C=C2)OCC)C(=O)OCC.Br Br- 1 4.622 2 5 0 -6.22085220780538 16682162 CC(C)[C@@H](C(=O)O)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-].[Cl-] Cl- 1 3.284 2 4 -8.52320501140719 16682161 C[C@@H](C(=O)O)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-].[Cl-] Cl- 1 2.441 2 4 -4.88976731550444 16682160 CC1=C(/C(=C\2/C=CC(=CC2=O)OCC(=C)C)/NN1)C3=CC(=C(C=C3)OC)OC 1 2.31 2 4 -11.9090057700542 16682159 CC1=C(N=C2N1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)O.Br Br- 1 5.599 4 1 3.49634726896594 16682158 COC1=CC=C/C(=C\C=C/2\C=CC=CN2)/C1=O 1 0.787 1 2 0 -1.83323674330464 16682157 CCCCCCCCN1C=CC(=N)C=C1.Br Br- 1 3.093 2 0 -1.30517185525472 16682156 C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)OCCCN3CCCC3)O.Cl Cl- 1 3.881 1 3 -0.556490300226982 16682155 CCCCCCCC1=C(N=C(NC1=O)SCCN(C)C)O.Cl Cl- 1 4.216 3 2 -13.354796590314 16682154 C1=CC=C(C=C1)C(C(=O)N/N=C\2/C3=CC=CC=C3N(C2=O)CCCC#N)O 1 1.652 4 3 0 -12.0050646176704 16682153 CCOC(=O)[C@@H]1CCN(C[C@H]1C2=CC=CC=C2)CC3=CC=CC=C3.Cl Cl- 1 3.931 1 2 -1.52779577320426 16682152 CC(=NNC(=O)CNC(=O)/C=C\C1=CC=CC=C1OC)CC2=CC=CC=C2 1 2.2 3 3 -13.5397574264549 16682151 CCOC1=C/C(=C/NNC(=O)CCN2C3=CC=CC=C3N=N2)/C=CC1=O 1 0.954 5 3 0 -15.282896011742 16682150 CC1=CC=C(C=C1)C(=O)ON=C2CC3CCC2([C@@]3(C)CBr)C 1 4.375 1 2 2.77948805521606 16682148 CC(=NNC(=O)CNC(=O)/C=C\C1=CC=CC=C1)CC2=CC=CC=C2 1 2.216 3 2 -13.0946701427402 16682147 C1=CC(=C(C=C1CSC(=N)N)[N+](=O)[O-])O.Cl Cl- 1 1.659 3 3 0 7.6014563968565e-002 16682146 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN(CC(C)C)CC(C)C)O)C2=C(C=CC(=C2)[N+](=O)[O-])OC.Cl Cl- 1 4.899 3 6 0 -10.9353532319775 16682144 CC(C)(C#CCCCCC#CC(C)(C)[N+](C)(C)C)[N+](C)(C)C.[I-] I- 1 1.919 2 0 0 -2.95310878463187 16682143 CN1CCN(CC1)CC#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl Cl- 1 3.701 2 1 4.11808837604096 16682142 CCCCCCCCCN1C=CC(=N)C=C1.Br Br- 1 3.549 2 0 -1.30517185525472 16682141 C1CSC2=[N+]1C(=CN2C3=CC=CC=C3)C4=CC=C(C=C4)F.O.[Br-] Br- H2O 1 4.851 2 0 1.99793060046657 16682139 CCCN1C2=C(CCC2)C(=N)C3=C1CCC3.I I- 1 3.036 2 0 -7.22347544574234 16682138 CCN1C2=C(CCCC2)C(=N)C3=C1CCC3.Br Br- 1 2.969 2 0 -6.7774315869743 16682137 C1=CC(=CC=C1CN2C=CC(=N)C=C2)F.Cl Cl- 1 1.728 2 0 0 1.48524091454174 16682136 CCCCCCCCCCCCN1C=CC(=N)C=C1.Br Br- 1 4.918 2 0 -1.30517185525472 16682135 CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3/C(=C\NC4CCS(=O)(=O)C4)/C2=O)C 1 2.352 2 4 -7.57101690424443 16682134 CCOC(=O)C1=C(OC2=CC(=C(C(=C21)CN(C)C)O)Br)CSC3=CC=CC=C3.Cl Cl- 1 5.121 1 4 2.97993303412715 16682133 CC1(CSC(=[N+](C)C)S1)C=NO.[Br-] Br- 1 1.979 2 1 0 -0.950370246913693 16682132 COC(=O)NN=CC1=C/C(=N/NC2=CC=CC=C2Cl)/C=CC1=O 1 2.896 4 3 0 -7.80184245757745 16682131 CCCNC1=NC(=CC(=N1)C(C)C)C2=NOC(=C2)C3=CC=C(C=C3)Cl 1 5.496 4 1 6.11098653185088 16682130 C1C2CON(C2C3=NC4=CC=CC=C4N31)C5=CC=CC=C5 1 3.182 3 1 -0.762388357221641 16682129 CC(C)C(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CC=CC=C4)C(=O)C5=C(O2)C=CC(=C5)F 1 3.328 2 4 -5.33839344737543 16682128 CC(C)CCNC(=O)C1=C(ON=C1CSC2=CC=NC=C2)C(=O)NCCC(C)C 1 3.342 4 3 0 -10.0597036975025 16682127 COCCNC(=O)C1=C(ON=C1CSC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 2.784 3 4 0 -12.1595195501325 16682126 C1CN(CCC12C3(CC(=NO3)C4=CC=CC=C4)C(=O)C5=C(O2)C=CC(=C5)Cl)C(=O)C6=COC=C6 1 3.425 2 5 0 -4.99090829937221 16682125 CC(C)C(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CN=CC=C4)C(=O)C5=C(O2)C=CC(=C5)Cl 1 2.636 3 4 0 -4.62101034508443 16682124 CC1=NC(=NC(=C1)C2=NOC(=C2)C(=O)NCC3=CC=CC=C3)NCC4CC4 1 2.923 5 2 0 -9.14263124269985 16682123 COC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)NCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4 1 4.482 3 4 0 -6.9612925303949 16682122 CN(C)CCNC(=O)C1=C(ON=C1CSC2=CC(=C(C=C2)F)F)C(=O)NCCN(C)C 1 2.02 5 3 0 -2.84746333838216 16682121 CN1C2C(CN3C2=NC4=CC=CC=C43)CO1 1 1.091 3 1 0 0.324462407972234 16682120 CC1(C2(CCC1([C@@H](C2=O)Br)C(=O)N3CCCCC3)C)C 1 2.823 1 2 -6.35216221293212 16682119 C=CCNC(=O)C1=C(ON=C1CSC2=CC=NC=C2)C(=O)NCC=C 1 1.415 4 3 0 -10.0418008351517 16682118 CC1=NC(=NC(=C1)C2=NOC(=C2)C(=O)NCC3=CC=CC=C3)NCCOC 1 1.972 5 3 0 -10.8915979155265 16682117 CCCCN1C2=C(CCC2)C(=N)C3=CC=CC=C31.I I- 1 4.062 2 0 -5.3746550989478 16682116 CC1=C(C(=NO1)C)C(=O)N2CCC3(CC2)C4(CC(=NO4)C5=CC=C(C=C5)Cl)C(=O)C6=C(O3)C=CC(=C6)F 1 3.409 3 5 0 -7.01828146672108 16682115 CC1=CC=C(S1)C(=O)N2CCC3(CC2)C4(CC(=NO4)C5=CC=C(C=C5)Cl)C(=O)C6=C(O3)C=CC(=C6)F 1 4.626 2 4 -2.52409233747062 16682114 CCCNC(=O)C1=C(ON=C1CSC2=CC=NC=C2)C(=O)NCCC 1 1.926 4 3 0 -7.79833816864135 16682113 CC(C)C1=NC(=NC(=C1)C2=NOC(=C2)C3=CC=C(C=C3)Cl)NC4CCCC4 1 6.026 4 1 4.45485203759023 16682112 CCC(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CC=CC=C4)C(=O)C5=C(O2)C=CC(=C5)F 1 2.865 2 4 -5.25130950492957 16682111 CC(C)C1=NC(=NC(=C1)C2=NOC(=C2)C(=O)NCC3=CC=CC=C3)NCC4CC4 1 4.053 5 2 0 -8.27028765614343 16682110 CC1(C2(CCC1([C@@H](C2=O)Br)C(=O)NC3=CC=CC=C3Cl)C)C 1 3.941 1 2 -5.97288541535865 16682109 CC1=CC=C(C=C1)NC(=O)C23CCC(C2(C)C)(C(=O)[C@H]3Br)C 1 3.763 1 2 -6.49679530262009 16682108 CC1(C2(CCC1([C@@H](C2=O)Br)C(=O)NCC=C)C)C 1 2.317 1 2 -12.0954848308138 16682107 CC1=CC=CN2C1=NC(=NCC3=CC=CC=C3)/C(=C\NO)/C2=O 1 1.149 4 2 0 -9.80856812263066 16682106 C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C\3=C(C4=CC=CC=C4C(=O)/C3=N\S(=O)(=O)C5=CC=CS5)[O-] 1 4.565 2 4 -8.58835143612448 16682105 CCC(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CN=CC=C4)C(=O)C5=C(O2)C=CC(=C5)Cl 1 2.174 3 4 0 -4.53392640263857 16682104 C1CN(CCC12C3(CC(=NO3)C4=CN=CC=C4)C(=O)C5=C(O2)C=CC(=C5)Cl)C(=O)C6=COC=C6 1 2.275 3 5 0 -5.76995991910078 16682103 CCCCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)F)C(=O)NCCCC 1 4.194 3 3 -6.71503278726457 16682102 CC(C)C(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CC=CC=C4)C(=O)C5=C(O2)C=CC(=C5)Cl 1 3.787 2 4 -3.84195872535587 16682101 CCC(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CC=CC=C4)C(=O)C5=C(O2)C=CC(=C5)Cl 1 3.324 2 4 -3.75487478291 16682100 CC1=CC=C(S1)C(=O)N2CCC3(CC2)C4(CC(=NO4)C5=CC=CC=C5)C(=O)C6=C(O3)C=CC(=C6)F 1 3.962 2 4 -4.82060744437264 16682099 C1CN(CCC12C3(CC(=NO3)C4=CC=CC=C4)C(=O)C5=C(O2)C=CC(=C5)F)C(=O)C6=COC=C6 1 2.967 2 5 0 -6.48734302139178 16682098 CC1=CC=C(S1)C(=O)N2CCC3(CC2)C4(CC(=NO4)C5=CN=CC=C5)C(=O)C6=C(O3)C=CC(=C6)F 1 2.811 3 4 0 -5.5996590641012 16682097 CC(C)C(=O)N1CCC2(CC1)C3(CC(=NO3)C4=CN=CC=C4)C(=O)C5=C(O2)C=CC(=C5)F 1 2.177 3 4 0 -6.117445067104 16682096 C1CN(CCC12C3(CC(=NO3)C4=CN=CC=C4)C(=O)C5=C(O2)C=CC(=C5)F)C(=O)C6=CC7=C(C=C6)OCO7 1 2.48 3 6 0 -4.8415902055499 16682095 C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)O)C3=CC=CC=C3.Cl Cl- 1 4.038 2 2 -4.69625786694566 16682094 C1=CC=C(C=C1)CNC(=O)C2=C(ON=C2CSC3=CC=CC=N3)C(=O)NCC4=CC=CC=C4 1 3.887 4 3 0 -11.0405744761065 16682093 C1CCN(CC1)CC(=O)C2=CC=C(C=C2)F.Cl Cl- 1 2.698 1 1 -1.92760794426296 16682092 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NCCN(CC)CC.Cl Cl- 1 2.564 5 4 0 -7.7533973209334 16682090 CCCCOC1=CC=C(C=C1)C(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 3.936 1 3 -5.52138038692467 16682089 CCC(C)[C@@H](C(=O)O)NC(=O)N1CCC(CC1)C 1 2.009 2 3 -19.9648465530074 16682088 CCC(C)[C@@H](C(=O)O)NC(=O)NCC1=CC(=C(C=C1)OC)OC 1 2.185 2 5 0 -21.7184856542781 16682087 CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)[C@H]2C[C@@H]2C3=CC=CC=C3 1 3.221 2 2 -5.64256410697355 16682086 CCC1=CC=C(C=C1)CC2(CC(N(CC2C)C)C)OC(=O)CC.Cl Cl- 1 4.328 1 2 -3.33854760757396 16682084 CC(=O)N(C)CCC1=CC2=C(C(=C1C=NNC(=O)[C@H]3C[C@@H]3C4=CC=CC=C4)OC)OCO2 1 2.467 3 5 0 -5.26801537905521 16682083 CC1=CC(=CC(=C1SCCC2=CC=CC=[N+]2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C(C)(C)C.[Br-] Br- 1 7.409 2 3 -2.47521585290033 16682082 CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C.O H2O 1 2.145 1 4 -18.0047475920365 16682081 C[N+]1=C2C3=CC=CC=C3CN2C4=C(C1=O)C=C(C=C4)Cl.[Cl-] Cl- 1 3.219 2 1 3.96208587204967 16682080 CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(CNC(C)(C)C)O.Cl Cl- 1 2.217 2 4 -8.93636364540334 16682079 C1=CC=C(C=C1)P(=O)(CSC(=N)N)C2=CC=CC=C2.Cl Cl- 1 3.625 2 1 -4.21090663102559 16682078 CN(C)CC1C(OC2=CC=CC=C2O1)(C3=CC=CC=C3)O.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 3.005 1 3 3.38671465902003 16682077 COC1=CC(=C(C=C1CN2CCC(CC2)O)OC)OC.Cl Cl- 1 1.287 1 4 0 -0.688556427421445 16682076 CCCCCC[N+](C)(C)CCSSCC[N+](C)(C)CCCCCC.[Br-] Br- 1 3.435 2 0 -4.03345980168141 16682075 CC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=C(C=C4)OC.Cl Cl- 1 1.638 5 4 0 -4.87897431824976 16682073 COC1=CC=CC(=C1)C2C\3=C(C(=O)N2CC4=CC=CO4)NN/C3=C/5\C=CC=CC5=O 1 1.319 3 4 0 -10.384740456391 16682072 CC1=CC=C(C=C1)S(=O)(=O)NN/C=C/2\C=NC3=C2C=C(C=C3)OC 1 1.856 3 3 0 -3.16139301425346 16682070 C1CCN(CC1)C(=O)CN2C=CC(=C[NH+]=O)C=C2.[Cl-] Cl- 1 -0.184 3 2 0 -5.22759695169637 16682069 CN(C)C1=CC=C(C=C1)/C=C\2/C(=NO)C3CCN2CC3.Cl Cl- 1 2.335 3 1 -0.59918625911481 16682068 CCCCCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)C4(CC4)C)C(=O)N 1 2.094 4 4 0 -9.82468576559138 16682067 C/C=C/C=C/C(=O)N1CC2(C[C@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)C(=C)C 1 1.596 4 4 0 -5.56519773813615 16682066 CC1(C2CCC1(C(C2)[NH2+]C3=CC=CC=C3)C)C.[Cl-] Cl- 1 3.518 1 0 2.28334794075194 16682064 COC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=NN=C4N3CCCCC4.[Br-] Br- 1 3.597 4 2 -6.14976566616167 16682063 C[N+]12CCC(CC1)C(C2)C(C3=CC(=CC=C3)Cl)(C4=CC(=CC=C4)Cl)O.[I-] I- 1 3.202 1 1 1.45778780537897 16682062 C1CCC2=[N+](C=C(N2CC1)C3=CC(=C(C=C3)Cl)Cl)CC4=CC=C(C=C4)[N+](=O)[O-].[Br-] Br- 1 6.542 3 2 3.9978689781976 16682061 CCCCNCC1=CC2=CC=CC=C2O1.Cl Cl- 1 3.077 1 1 4.00088225474227 16682060 CCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@@H](N(C3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N 1 1.144 5 6 0 -8.07096275990523 16682059 CCC1C2CN3C4=CC=CC=C4N=C3C1N(O2)C 1 2.031 3 1 -0.260089446887626 16682058 C1[C@H](N(CC12CC(=NO2)C3=CC(=CC=C3)NC(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)COC6=CC=C(C=C6)Cl)C(=O)N 1 4.487 4 5 0 -8.0382942687617 16682057 C1[C@H](N(CC12CC(=NO2)C3=CC(=CC=C3)NC(=O)COC4=CC=C(C=C4)Cl)C(=O)COC5=CC=C(C=C5)Cl)C(=O)N 1 3.212 4 6 0 -3.7896635584382 16682056 CCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)C4(CC4)C)C(=O)N 1 0.726 4 4 0 -5.1814904757823 16682055 CCC(=O)N1CC2(C[C@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5 1 2.99 4 4 0 -11.0670888787181 16682054 CCCCCC(=O)N1CC2(C[C@@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)COC4=CC=C(C=C4)Cl 1 3.083 4 5 0 -8.73163991875962 16682053 CCC(C)[C@@H](C(=O)O)NC(=O)NCCC1=CCCCC1 1 2.962 2 3 -21.705385641001 16682052 C/C=C\C=C/C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@@H](N(C3)C(=O)C4=CC=C(C=C4)OC)C(=O)N 1 2.099 4 5 0 -5.14628937512727 16682051 CC1CC(C(CN1C)C)(CCN)C2=CC=CC=C2.Cl Cl- 1 2.365 2 0 -1.72407529020437 16682050 CC(=O)C1=C(N(C(=O)NC1=O)C2=CC(=CC=C2)Cl)[O-].C[NH+](C)C NMe3 1 0.861 2 4 0 -2.26248840091597 16682049 CC1=CC=C(C=C1)C2=CN(C3=[N+]2CCCCC3)C4=CC=C(C=C4)OC(F)F.[Br-] Br- 1 6.603 2 1 6.11942508059805 16682048 CC(C1=CC=CC=C1)C(=NCCC2=CC(=C(C=C2)OC)OC)N.Cl Cl- 1 3.461 2 2 -7.08619534057476 16682047 CC(=O)[N+]1=C2N(CC1)C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-].[Br-] Br- 1 1.61 3 3 0 -4.71815808455979 16682046 C=CCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC=C 1 3.23 3 3 -7.14249248984178 16682045 CC1=CC(=CC(=C1)SCC2=NOC(=C2C(=O)NCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4)C 1 5.471 3 3 -6.96022897350511 16682044 CC1=CC(=CC(=C1)SCC2=NOC(=C2C(=O)NCC=C)C(=O)NCC=C)C 1 3.538 3 3 -10.1257504939313 16682043 CC1C2CN3C4=CC=CC=C4N=C3C1N(O2)C 1 1.575 3 1 0 -0.112471099348365 16682042 CC(C)(C)N1C2CC(O1)CN3C2=NC4=CC=CC=C43 1 2.057 3 1 -1.23184078673966 16682041 CC1=CC2=C(C=C1)OC3(CCCC3)CC2=O 1 3.232 0 2 -3.65513882715026 16682040 CC(C)(C)C1CCC2(CC1)CC(=O)C3=CC=CC=C3O2 1 4.368 0 2 -6.21396327655031 16682038 C1[C@@H](N(CC12CC(=NO2)C3=CC(=CC=C3)NC(=O)COC4=CC=C(C=C4)Cl)C(=O)C5=CC=C(C=C5)Cl)C(=O)N 1 3.377 4 5 0 -4.64646567690427 16682037 C1[C@@H](N(CC12CC(=NO2)C3=CC(=CC=C3)NC(=O)COC4=CC=C(C=C4)Cl)C(=O)CC(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N 1 4.487 4 5 0 -7.00892285363434 16682036 CCOC1=CC=CC(=C2C1=C([NH+]=C2C)C)NC3CCCCC3.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.427 2 1 -1.25072429069307 16682035 CC(CCC1=CC=CC=C1)N(C)CC(C2=CC(=CC=C2)[N+](=O)[O-])O.Cl Cl- 1 4.025 2 3 -2.41428555714421 16682034 CC1=NC(=NC(=C1)C2=NOC(=C2)C(=O)NC3CCCC3)NC4CCCC4 1 3.324 5 2 0 -7.43356968977605 16682033 CC(C)C1=NC(=NC(=C1)C2=NOC(=C2)C3=CC=CC=C3)NCCOC 1 3.829 4 2 0.909544426062587 16682032 CCCNC1=NC(=CC(=N1)C)C2=NOC(=C2)C3=CC=C(C=C3)Cl 1 4.367 4 1 5.23864294529446 16682031 CC1=CC=C(C=C1)CCNC(=O)C2CC(=NO2)C3=CC(=CC=C3)F 1 3.402 2 2 -3.19858389060255 16682030 COC1=CC=C(C=C1)C(=O)N2CC3(C[C@H]2C(=O)N)CC(=NO3)C4=CC(=CC=C4)NC(=O)CC(C5=CC=CC=C5)C6=CC=CC=C6 1 3.971 4 5 0 -10.0766421249901 16682029 C1=CC=C(C=C1)CNC(=O)C2=C(ON=C2CSC3=CC=C(C=C3)Cl)C(=O)NCC4=CC=CC=C4 1 5.163 3 3 -4.05240488643364 16682028 CC(C)NC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NC(C)C 1 3.449 3 3 -6.34038688461925 16682027 CCOC1=CC=CC(=C2C1=C([N+](=C2C)C)C)NC3CCCCC3.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.633 2 1 -2.78265488955282 16682026 CC(=C)C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N 1 3.467 4 4 0 -10.227660060837 16682025 C/C=C\C=C/C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@@H](N(C3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N 1 2.045 5 6 0 -7.83165099850716 16682024 CCCCCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N 1 2.513 5 6 0 -12.7141580497143 16682023 COC1=CC=C(C=C1)CCNC(=O)C2CC(=NO2)C3=CC=C(C=C3)C(F)(F)F 1 3.636 2 3 -4.31635141030254 16682021 CC1=CC=C(O1)CNC(=O)C2CC(=NO2)C3=CC=C(C=C3)C(F)(F)F 1 2.658 2 3 -3.94718850859355 16682020 C1CCC2=[N+](CC1)C(=CN2C3=CC=C(C=C3)OC(F)F)C4=CC=C(C=C4)Cl.[Br-] Br- 1 6.781 2 1 7.94142377118487 16682019 C1CC(=O)N[C@H]1C(=O)NC2=CC=CC(=C2)C3=NOC4(C3)C[C@@H](N(C4)C(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])C(=O)N 1 -0.212 7 9 0 -13.8038323869948 16682017 C1C(ON=C1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)NCCCCC3=CC=CC=C3 1 5.507 2 2 -7.62359445378334 16682016 CC1=C(C=C(C=C1C(=O)N2CC3(C[C@@H]2C(=O)N)CC(=NO3)C4=CC(=CC=C4)NC(=O)[C@H]5CCC(=O)N5)[N+](=O)[O-])[N+](=O)[O-] 1 0.274 7 9 0 -12.3001447693982 16682015 C/C=C\C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@@H](N(C3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N 1 1.577 5 6 0 -8.7772938765616 16682014 CCCCCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@@H](N(C3)C(=O)/C(=C/C)/C)C(=O)N 1 2.466 4 4 0 -10.5879838016098 16682013 COC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC(=C(C=C4)OC)OC)/O 1 3.292 2 6 0 -9.66460462276186 16682012 C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[N+]2=C3CCCCCN3C(=C2)C4=CC=C(C=C4)Cl)C(C)C.[Cl-] Cl- 1 7.244 2 2 5.68668474199395 16682011 CC(C)N1C2CC(O1)CN3C2=NC4=CC=CC=C43 1 1.852 3 1 0 -0.891332132053926 16682010 CCC1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)C(=O)C)[O-].C[NH+](C)C NMe3 1 1.139 2 4 0 -6.44822706021098 16682009 CC1=CC2=C(C=C1)OC3(CCCCCC3)CC2=O 1 4.144 0 2 -4.00960734131835 16682008 COC1=CC=C(C=C1)C2=CN(C3=[N+]2CCCCC3)C4=CC=C(C=C4)Cl.[Br-] Br- 1 5.959 2 1 5.5375137376356 16682007 C1CCC2=[N+](CC1)C(=CN2C3=CC=C(C=C3)OC(F)F)C4=CC=CC=C4.[Br-] Br- 1 6.117 2 1 5.64490866428285 16682006 C1CCC2=[N+](CC1)C(=NN2CC(=O)C3=CC=CC=C3)C4=NN(C5=[N+]4CCCCC5)CC(=O)C6=CC=CC=C6.[Br-] Br- 1 5.453 6 2 0 -4.74484025269929 16682005 C1CC2=C3C=CC=CC3=NC2=C(C1)NCCC4=CC=CC=C4.Cl Cl- 1 3.441 2 0 -5.33808214901583 16682003 C1[C@@H](N(CC12CC(=NO2)C3=CC(=CC=C3)NC(=O)COC4=CC=C(C=C4)Cl)C(=O)CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)N 1 2.641 5 7 0 -6.91847456721075 16682002 CCC(=O)N1CC2(C[C@@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)/C=C\C=C/C 1 1.119 4 4 0 -6.13673612885521 16682001 CC(=O)C1=C(N(C(=O)NC1=O)CC=C)[O-].C[NH+](C)C NMe3 1 -0.763 2 4 0 -12.1874745842833 16682000 C1CC(=O)N[C@@H]1C(=O)NC2=CC=CC(=C2)C3=NOC4(C3)C[C@H](N(C4)C(=O)CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)N 1 -7.2e-002 6 7 0 -14.1245339298746 16681998 CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)CC[NH3+].[Cl-] Cl- 1 2.464 2 1 0.214010571605968 16681997 C/C=C(/C)\C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)[C@H]4CCC(=O)N4)C(=O)N 1 -0.119 5 5 0 -13.1030975446193 16681996 C/C=C/C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)C4=CC(=CC(=C4C)[N+](=O)[O-])[N+](=O)[O-])C(=O)N 1 1.923 6 8 0 -6.95290471608523 16681995 CCOC(=O)C1=CN=C2C(=CC=CC2=C1NC3=CC=CC(=C3)C(=O)O)C.Cl Cl- 1 3.886 2 4 -2.28650180098998 16681993 C1C(ON=C1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)NCC3=CC=CC=C3C(F)(F)F 1 5.216 2 2 -6.0415421720283 16681992 CC1=CC=C(C=C1)CCNC(=O)C2CC(=NO2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 5.081 2 2 -5.39401082946462 16681991 C1CCC2=[N+](CC1)C(=CN2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl.[Br-] Br- 1 6.64 2 0 5.12416100456219 16681990 C1C(ON=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=CC=C3C(F)(F)F 1 4.273 2 2 -4.55091654372209 16681989 COC1=CC=CC=C1NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-].Br Br- 1 3.564 3 3 4.80966847683901 16681988 C1CCC2=[N+](C=C(N2CC1)C3=CC=C(C=C3)Cl)CC(=O)C4=CC=CC=C4.[Br-] Br- 1 5.655 2 1 2.10646523265829 16681987 CC1(C2CCC(C2)C1(C)NC(=O)C[N+](C)(C)C)C.[Cl-] Cl- 1 0.424 2 1 0 -7.84120769344618 16681986 COC1=CC=C(C=C1)CNC(=O)C2CC(=NO2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 4.257 2 3 -5.54972376290998 16681985 C/C=C/C=C\C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)N 1 1.905 6 8 0 -7.51094945562739 16681984 CC1(C(OC(=CC=NC2=CC(=C(C=C2)OC)OC)O1)(C)C)C.Cl Cl- 1 3.341 1 4 3.82479296947896 16681983 C/C=C\C=C/C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)C(=C)C)C(=O)N 1 1.596 4 4 0 -6.2130766808599 16681982 CCCCCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@@H](N(C3)C(=O)C4=CC=CC=C4C(=O)C5=CC=CC=C5)C(=O)N 1 3.988 4 5 0 -11.9440448778196 16681981 CCCCCCCCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC(=N)N.Br Br- 1 6.109 3 4 0 -5.08713887744077 16681980 CC(C)[N+]12CCC(CC1)C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[I-] I- 1 2.6 1 1 -1.55520473140092 16681979 C1C[N+]2(CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC(=O)C5=CC=C(C=C5)Br.[Br-] Br- 1 3.878 1 2 -2.08680838234149 16681978 CCCCCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)/C=C/C=C/C)C(=O)N 1 2.487 4 4 0 -8.14214401343702 16681977 CCCCCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)C4=CC(=CC(=C4C)[N+](=O)[O-])[N+](=O)[O-])C(=O)N 1 2.859 6 8 0 -10.8897688892379 16681976 CC(=C)C(=O)N1CC2(C[C@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5 1 3.467 4 4 0 -11.1434294307228 16681975 CCCC[N+]12CCC(CC1)C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-] Br- 1 3.202 1 1 -2.43287441355265 16681974 CC/C=C/C(=O)N1CC2(C[C@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)COC4=CC=C(C=C4)Cl 1 2.604 4 5 0 -2.47152543074201 16681973 C/C=C\C=C\C(=O)N1CC2(C[C@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)COC4=CC=C(C=C4)Cl 1 2.616 4 5 0 -2.34646053093346 16681972 C/C=C\C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)COC4=CC=C(C=C4)Cl)C(=O)N 1 2.148 4 5 0 -4.05358439695329 16681971 CCCOC1=C(C=C(C=C1)CN2CCOCC2)OC.Cl Cl- 1 2.43 1 3 -3.81480791850566 16681970 C1CCC2=[N+](CC1)C(=CN2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Br.[Br-] Br- 1 6.724 2 0 6.31581889226513 16681969 CCCCCCC(=O)C1=C(N(C(=O)NC1=O)C2=CC=C(C=C2)OC)[O-].C[NH+](C)C NMe3 1 2.672 2 5 0 -10.4880730353885 16681968 C1=CC=C(C=C1)C2=CSC3=NC(=O)C(=C(N23)N)/C=C\4/C=CC(=O)C(=C4)O 1 1.761 3 3 0 -4.73032015320511 16681967 CC1=CC(=C(N1CC2=CC=CC=C2)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)CC(=O)N5CCOCC5 1 2.887 6 3 0 -27.0915454925356 16681966 CCC(C)[C@@H](C(=O)O)NC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N 1 0.923 3 5 0 -22.6740010482013 16681965 COC1=C(C=C(C=C1)C2C\3=C(C(=O)N2CC4=CC=CO4)NN/C3=C/5\C=CC=CC5=O)OC 1 1.302 3 5 0 -15.9782383513477 16681964 CCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC)O.Cl Cl- 1 2.932 3 5 0 -6.04676843026163 16681963 CCCCCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@@H](N(C3)C(=O)[C@H]4CCC(=O)N4)C(=O)N 1 0.37 5 5 0 -17.0219704986237 16681962 C1CCC2=[N+](CC1)C(=NN2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CNC4=CC=C(C=C4)Br.[Br-] Br- 1 4.704 5 3 0 -7.21103926931685 16681961 CC(=C)C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@@H](N(C3)C(=O)C4=CC=CC=C4C(=O)C5=CC=CC=C5)C(=O)N 1 3.096 4 5 0 -9.36709860251876 16681960 CCCCCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@@H](N(C3)C(=O)C4=CC=CC=C4)C(=O)N 1 2.584 4 4 0 -10.5088720112244 16681959 C1[C@@H](N(CC12CC(=NO2)C3=CC(=CC=C3)NC(=O)COC4=CC=C(C=C4)Cl)C(=O)C(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N 1 4.242 4 5 0 -7.12568833925628 16681958 C/C=C(\C)/C(=O)N1CC2(C[C@@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)COC4=CC=C(C=C4)Cl 1 2.594 4 5 0 -4.7923003191062 16681957 CCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)/C=C/C=C\C)C(=O)N 1 1.119 4 4 0 -3.49894872362794 16681956 CCCCCC(=O)N1CC2(C[C@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)/C(=C\C)/C 1 2.466 4 4 0 -10.6084504472588 16681955 C/C=C/C=C\C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)/C(=C/C)/C)C(=O)N 1 1.998 4 4 0 -6.02323859294335 16681954 C/C=C\C=C/C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)C4=CC=C(C=C4)Cl)C(=O)N 1 2.78 4 4 0 -2.91132447539631 16681953 C1[C@@H](N(CC12CC(=NO2)C3=CC(=CC=C3)NC(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N 1 5.517 4 4 0 -11.9013632834633 16681952 C/C=C(\C)/C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)C4=CC(=CC(=C4C)[N+](=O)[O-])[N+](=O)[O-])C(=O)N 1 2.369 6 8 0 -6.97089593523357 16681951 CC(=C)C(=O)N1CC2(C[C@@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)COC4=CC=C(C=C4)Cl 1 2.192 4 5 0 -5.29990024956349 16681950 CCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)C4=CC=C(C=C4)OC)C(=O)N 1 1.199 4 5 0 -5.38560113652535 16681949 C1CC(=O)N[C@H]1C(=O)NC2=CC=CC(=C2)C3=NOC4(C3)C[C@@H](N(C4)C(=O)C5=CC=CC=C5)C(=O)N 1 -1.e-003 5 5 0 -11.9192478913847 16681948 C1CC(=O)N[C@@H]1C(=O)N2CC3(C[C@H]2C(=O)N)CC(=NO3)C4=CC(=CC=C4)NC(=O)CC(C5=CC=CC=C5)C6=CC=CC=C6 1 1.774 5 5 0 -17.0698161972794 16681947 C/C=C/C=C/C(=O)N1CC2(C[C@@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)/C=C/C 1 1.552 4 4 0 -3.76671961785238 16681946 C1C(ON=C1C2=CC(=CC=C2)F)C(=O)NCC3=CC=CC=C3C(F)(F)F 1 3.536 2 2 -2.87516385587426 16681945 CCCCNC(=O)C1CC(=NO1)C2=CC(=CC=C2)F 1 2.339 2 2 -6.29082259129609 16681944 C/C=C(/C)\C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@@H](N(C3)C(=O)COC4=CC=C(C=C4)Cl)C(=O)N 1 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CCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)C4=CC(=CC(=C4C)[N+](=O)[O-])[N+](=O)[O-])C(=O)N 1 1.49 6 8 0 -6.24657359942887 16681886 C=CCN(CC=C)C(=O)C[N+]1=CC=C(C=C1)C(=O)N.[Cl-] Cl- 1 0.936 3 2 0 -18.1826217224054 16681885 C1C(ON=C1C2=CC=CC=C2C(F)(F)F)C(=O)NCCCCC3=CC=CC=C3 1 4.565 2 2 -9.64165841513268 16681884 C/C=C(\C)/C(=O)N1CC2(C[C@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)C(=C)C 1 1.574 4 4 0 -7.6411082436508 16681883 COC1=CC=C(C=C1)CCNC(=O)C2CC(=NO2)C3=CC=CC=C3F 1 2.899 2 3 -8.20654463214133 16681882 CC1(CC1)C(=O)N2CC3(C[C@@H]2C(=O)N)CC(=NO3)C4=CC(=CC=C4)NC(=O)CC(C5=CC=CC=C5)C6=CC=CC=C6 1 3.498 4 4 0 -9.87253146424707 16681881 C/C=C\C=C\C(=O)N1CC2(C[C@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)/C(=C\C)/C 1 1.998 4 4 0 -4.54103290197338 16681880 C/C=C\C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)C(=C)C)C(=O)N 1 1.128 4 4 0 -7.15871955891434 16681878 COC1=CC=C(C=C1)CCNC(=O)C2CC(=NO2)C3=CC=CC=C3C(F)(F)F 1 3.636 2 3 -7.65662800294569 16681877 C1C(ON=C1C2=CC=CC=C2C(F)(F)F)C(=O)NCC3=CC=CO3 1 2.513 2 3 -9.23728941917009 16681876 CC1=CC=C(C=C1)CCNC(=O)C2CC(=NO2)C3=CC=CC=C3C(F)(F)F 1 4.138 2 2 -7.24366179380155 16681874 C/C=C/C(=O)N1CC2(C[C@@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)COC4=CC=C(C=C4)Cl 1 2.148 4 5 0 -3.29210340898789 16681873 C1=CC=C(C=C1)CNC(=O)CN2C=CC(=C[NH+]=O)C=C2.[Cl-] Cl- 1 0.276 3 2 0 -8.34139471432522 16681872 COC1=CC=C(C=C1)CNC(=O)C2CC(=NO2)C3=CC=C(C=C3)C(F)(F)F 1 3.315 2 3 -4.05909813460376 16681871 CN(C)C(=O)C[N+]1=CC=C(C=C1)C(=O)N.[Cl-] Cl- 1 -0.298 3 2 0 -9.60392485660298 16681870 C1C(ON=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NCCCCC3=CC=CC=C3 1 4.565 2 2 -6.13296882547713 16681869 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C[N+]3=CC=CC(=C3)C=NO.[Cl-] Cl- 1 3.694 3 2 -6.05639765017566 16681868 CC(C)CCNC(=O)C1CC(=NO1)C2=CC=C(C=C2)C(F)(F)F 1 3.328 2 2 -8.55110813190147 16681867 C1C(ON=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC(=CC=C3)C(F)(F)F 1 4.273 2 2 -3.06643447966081 16681866 C1C(ON=C1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)NCC3=CC=CO3 1 3.455 2 3 -7.29024422830838 16681865 C1CCC2=C(C1)C3=C(S2)N=C([N+]4=C3OC(C4)CBr)SCC5=CC=CC=C5.[Br-] Br- 1 6.104 2 1 -7.0102646153527 16681864 CCSC1=NC2=C(C3=C(S2)CCCC3)C4=[N+]1CC(O4)CBr.[Br-] Br- 1 4.869 2 1 -5.65717453908554 16681863 COC1=CC=CC=C1CNC(=O)C2CC(=NO2)C3=CC=CC=C3F 1 2.578 2 3 -10.2319621845209 16681862 C1C(ON=C1C2=CC=CC=C2F)C(=O)NCCC3=CC=CS3 1 2.582 2 2 -11.3829603918337 16681861 CCCNC(=O)C1CC(=NO1)C2=CC(=CC=C2)F 1 1.883 2 2 0 -5.5849412924845 16681860 C1C(ON=C1C2=CC(=CC=C2)F)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F 1 4.714 2 3 -0.528701633420381 16681859 COCCNC(=O)C1CC(=NO1)C2=CC(=CC=C2)F 1 0.88 2 3 0 -7.00624889466581 16681858 C1C(ON=C1C2=CC(=CC=C2)F)C(=O)NCCCCC3=CC=CC=C3 1 3.828 2 2 -5.52556174144606 16681857 CC(C)CCNC(=O)C1CC(=NO1)C2=CC(=CC=C2)F 1 2.591 2 2 -7.84630682134561 16681856 C1C(ON=C1C2=CC(=CC=C2)F)C(=O)NCC3=CC(=CC=C3)C(F)(F)F 1 3.536 2 2 -0.557023180064223 16681855 C1C(ON=C1C2=CC(=CC=C2)F)C(=O)NCC3=CC=C(C=C3)C(F)(F)F 1 3.536 2 2 0.37566260636569 16681854 CC1=CC=C(C=C1)CNC(=O)C2CC(=NO2)C3=CC(=CC=C3)F 1 3.08 2 2 -2.94133061490377 16681853 C1C(ON=C1C2=CC(=CC=C2)F)C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 4.479 2 2 -2.66461500571212 16681852 C1C(ON=C1C2=CC(=CC=C2)F)C(=O)NCCC3=CC=CS3 1 2.582 2 2 -6.78796585943901 16681851 CCCCN(CCCC)CCCNC(=O)C1CC(=NO1)C2=CC=C(C=C2)C(F)(F)F 1 4.606 3 2 -6.76776749974781 16681850 CC1=CC=C(C=C1)CCNC(=O)C2CC(=NO2)C3=CC=C(C=C3)C(F)(F)F 1 4.138 2 2 -3.9033852011584 16681849 CCCCNC(=O)C1CC(=NO1)C2=CC=C(C=C2)C(F)(F)F 1 3.076 2 2 -6.99562390185194 16681848 C/C=C/C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)N 1 1.437 6 8 0 -8.45659233368183 16681847 CC1(CC(CCO1)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)C.Cl Cl- 1 4.232 1 1 -3.85165289837071 16681846 CC1(CC2(CCCN(C2)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCO1)C.Cl Cl- 1 4.152 1 2 2.12223676077905 16681845 CC(=C)C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@@H](N(C3)C(=O)C4=CC=CC=C4)C(=O)N 1 1.692 4 4 0 -7.93192573592354 16681844 C/C=C\C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N 1 3.423 4 4 0 -8.86774216298519 16681843 C/C=C\C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)C4(CC4)C)C(=O)N 1 1.159 4 4 0 -5.88782159243866 16681842 CCCCCC(=O)N1CC2(C[C@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)/C=C\C 1 2.019 4 4 0 -10.5904592281105 16681841 CCCCCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@@H](N(C3)C(=O)COC4=CC=C(C=C4)Cl)C(=O)N 1 3.083 4 5 0 -7.990448570106 16681840 CC1=C(C=C(C=C1C(=O)N2CC3(C[C@H]2C(=O)N)CC(=NO3)C4=CC(=CC=C4)NC(=O)C(=C)C)[N+](=O)[O-])[N+](=O)[O-] 1 1.967 6 8 0 -8.31282261393707 16681839 CC(=C)C(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)[C@H]4CCC(=O)N4)C(=O)N 1 -0.522 5 5 0 -14.4450242233228 16681838 CCCCCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@@H](N(C3)C(=O)CCCCC)C(=O)N 1 2.955 4 4 0 -11.7265300053393 16681837 CCCCCC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)C(=C)C)C(=O)N 1 2.063 4 4 0 -11.0955837320671 16681836 C1CC(=O)N[C@H]1C(=O)NC2=CC=CC(=C2)C3=NOC4(C3)C[C@@H](N(C4)C(=O)C5=CC=CC=C5C(=O)C6=CC=CC=C6)C(=O)N 1 1.403 5 6 0 -13.3544207579799 16681835 C1CC(=O)N[C@H]1C(=O)NC2=CC=CC(=C2)C3=NOC4(C3)C[C@H](N(C4)C(=O)C5=CC=C(C=C5)Cl)C(=O)N 1 0.663 5 5 0 -9.20420740676371 16681834 CC/C=C/C(=O)N1CC2(C[C@@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)/C=C\C 1 1.54 4 4 0 -4.25346597819099 16681833 CC1=CC=C(O1)CNC(=O)C2CC(=NO2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 3.601 2 3 -5.43781413689976 16681832 COC1=CC=C(C=C1)CCNC(=O)C2CC(=NO2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 4.578 2 3 -5.80697703860876 16681831 CCN(CC)CC(C)(C)COC(=O)C1=C(C2=CC=CC=C2O1)C.Cl Cl- 1 4.517 1 3 3.36146521426365 16681830 CC(CCC1=CC=CC=C1)NCCC#N.Cl Cl- 1 2.501 2 0 -3.92928502405911 16681829 CCC1=[N+](CCN2C1=CC=C2C)CC(=O)C3=CC=C(C=C3)Br.[Br-] Br- 1 4.158 2 1 -4.42693224015093 16681828 CCOC1=C(C=C(C=C1)CSC(=N)N)Cl.Cl Cl- 1 3.004 2 1 -3.85826164914252 16681827 CCCCCC(=O)OC(C[NH+]1CCCCCC1)CN2CCCC2=O.[Cl-] Cl- 1 1.69 2 3 0 -18.2529405748176 16681826 CCC(C)[C@@H](C(=O)OC)NC(=O)NCCC1=CCCCC1 1 3.187 2 3 -24.3636499915536 16681825 CC[N+](C)(CC)CCCCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCCCC[N+](C)(CC)CC.[I-] I- 1 3.137 2 3 -2.49029224079418 16681824 CC[N+](CC)(CC)CCCCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCCCC[N+](CC)(CC)CC.[I-] I- 1 3.835 2 3 1.13065272285183e-002 16681823 CCCOC(=O)C[N+](C)(C)CCOC1CC2CCC1(C2(C)C)C.[Br-] Br- 1 1.747 1 3 0 -5.40247893979371 16681822 CCCCCC1=CC(=C(C=C1)OCCC[N+]2=CC=CC=C2)CCCCC.[Cl-] Cl- 1 7.751 1 1 2.98562553555863 16681821 COC(=O)CC=NNC1=NC(=O)/C(=C/C(=O)OC)/S1 1 0.449 3 5 0 -9.91600059400444 16681820 CC1=[N+](C=CC2=CC=CC=C12)CC(=O)C3=CC=C(C=C3)OC.[Br-] Br- 1 3.727 1 2 0.458030418208976 16681819 CCCC1=C2C=CC=[N+]2CCN1CC(=O)C3=CC=C(C=C3)Br.[Br-] Br- 1 3.57 2 1 -4.04658852849336 16681817 CCC(C)[C@H](C(=O)NN=CC1=C2C(=CC=C1)N=CC=N2)N.Cl Cl- 1 1.305 5 1 0 -8.10743182260721 16681816 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)NC4=NC(=CS4)C5=CC=C(C=C5)C.[Cl-] Cl- 1 5.375 4 1 1.56184905131816 16681815 CCN(CC)C1=CC=C(C=C1)[C@H]2[C@@H]3CCCC[C@@]3(CCN2CC(=O)NCC4=CC=CO4)O 1 3.311 3 3 -14.0838683498762 16681814 CC(C)[C@@H](C(=O)NCC1CCC(CC1)C(=O)O)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C 1 3.768 3 6 0 -27.9884523841196 16681813 CCCCOC1=C(C=C(C=C1)CSC(=N)N)Cl.Cl Cl- 1 3.984 2 1 -3.71405630367763 16681812 CN(CCO)CC(CN(C1=CC=CC=C1)C2=CC=CC=C2)O.Cl Cl- 1 2.674 2 2 2.35462551047053 16681811 C1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)F)C(=O)N.[Br-] Br- 1 1.898 2 2 0 -2.54927591157012 16681810 CN1C(=O)N(C2(C1(NNC(=N2)N)C3=CC=CC=C3)C4=CC=CC=C4)C.Cl Cl- 1 1.693 6 1 0 -5.0781811893586 16681809 CC1=CC(=C(C(=C1)C)C(=O)C[N+]2=CC=CC(=C2)C(=O)N)C.[Br-] Br- 1 3.151 2 2 -4.66757022947691 16681808 CCOCCCN1C=NC2=C[N+](=CC(=C21)Br)CC(=O)C3=CC=C(C=C3)Cl.[Br-] Br- 1 4.105 3 2 -5.86558111299747 16681807 C1=CC=C2C(=C1)NC(=N2)CC(C3=CC=C(C=C3)Cl)N.Cl Cl- 1 3.169 3 0 2.97125008964299 16681806 CN1C2=CC=CC=C2[N+](=C1C3=CC=CC=C3[N+](=O)[O-])C.[Cl-] Cl- 1 3.807 3 2 -2.27799300797861 16681805 CCOCCCN1C=NC2=C[N+](=CC(=C21)Br)CC(=O)C3=CC=CC=C3.[Br-] Br- 1 3.44 3 2 -8.48322737109363 16681804 C1=CC=C(C=C1)N(CC(CN(CCO)CCO)O)C2=CC=CC=C2.Cl Cl- 1 2.135 2 3 0.890439213152471 16681803 CC1CC2(CCCC2)NC3=C1C=CC=C3C.Cl Cl- 1 4.165 1 0 -1.77212321295964 16681802 CC(C(=O)C12CC3CC(C1)CC(C3)C2)OCCN(C)C.Cl Cl- 1 2.81 1 2 -9.52188437610728e-002 16681801 CCN(CC)CC(C)C(C)OC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl Cl- 1 4.339 1 3 -8.65602500561602 16681800 C[NH+](C)CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC.[Cl-] Cl- 1 2.374 3 2 -16.6198624108795 16681799 CCCCCCCC(=O)OC(C[NH+]1CCCCCC1)CN2CCCC2=O.[Cl-] Cl- 1 2.602 2 3 -18.310190692354 16681798 CC1(C2CCC1(C(C2)OC(=O)C[N+]3=CC=CC=C3)C)C.[Cl-] Cl- 1 3.474 1 2 -3.55306826936111 16681797 CCC(C)[C@@H](C(=O)NCC1CCC(CC1)C(=O)O)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C 1 4.224 3 6 0 -29.9129758442066 16681796 CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)NCC1CCC(CC1)C(=O)O 1 2.193 2 5 0 -28.9169698500076 16681795 CC(C)C[C@@H](C(=O)NCC1CCC(CC1)C(=O)O)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C 1 4.156 3 6 0 -26.364635752569 16681794 CC1(C2CCC1(C(C2)OC(=O)C[N+]3=CC=CC=C3N)C)C.[Br-] Br- 1 2.852 2 2 -2.04908808130438 16681793 COC1=C/C(=C/NNC2=NCCCCC2)/C=CC1=O.Cl Cl- 1 0.458 3 2 0 -3.64246460120234 16681792 C1CC(=N)N(C1)C2=CC=CC=C2O.Cl Cl- 1 1.224 2 1 0 -1.10615999277263 16681791 CC(C(=O)C12CC3CC(C1)CC(C3)C2)NCCN(C)C.Cl Cl- 1 2.544 2 1 2.21753785400299 16681790 CCN1C2=NC3=CC=CC=C3N2C(=CC(=N1)C)C4=CC=CC=C4.Cl Cl- 1 3.518 4 0 0.424878576361065 16681789 CCC1CCCCN1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC 1 3.141 2 3 -13.1380118502194 16681788 COC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)Br.[Br-] Br- 1 3.422 1 2 -0.569949972707355 16681787 CN1C2=N/C(=N\NN(C)C)/N=C2C(=O)N(C1=O)C 1 -1.247 7 2 0 -6.89937098449165 16681786 CC[N+]12CCC(CC1)C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-] Br- 1 2.222 1 1 -1.72887727073318 16681785 C/C(=C/1\C(=C(\C)/N=O)\N(ON1)O)/N=O 1 -1.819 4 4 0 -1.51399726006123 16681784 C1=CC(=CC(=C1)OC2=C(C(=C(C(=C2F)F)OC3=CC=CC(=C3)N)F)F)N.Cl Cl- 1 4.279 2 2 7.02407207115883 16681783 CC1=CC(=NC2=NC(=NN12)C(=O)NN=C/C=C/C3=CC=CC=C3)C 1 2.121 6 1 0 -6.44446228488156 16681782 COC1=CC=CC=C1C\2=CNN/C2=C/3\C=CC(=CC3=O)OCC4=CC=C(C=C4)F 1 2.539 2 3 -2.80712576787572 16681781 COC1=C(C=C(C=C1)C\2=CNN/C2=C/3\C=CC(=CC3=O)OCC4=CC=C(C=C4)F)OC 1 2.522 2 4 -3.94199094061625 16681780 CCOC(=O)C1=CC=C(C=C1)OC\2=CNN/C2=C/3\C=CC(=O)C=C3O 1 0.531 2 5 0 -7.98661553205818 16681779 CCC(C)[C@@H](C(=O)O)NC(=O)NC1=C(C=C(C=C1)C)C 1 3.183 2 3 -18.8339765396667 16681778 COC1=CC=CC=C1C\2=CNN/C2=C/3\C=CC(=CC3=O)OCC4=CC=CC=C4 1 2.333 2 3 -4.50223069513297 16681777 C1CN2C3=CC=CC=C3N(C2=N1)CC4=CC=C(C=C4)F.Cl Cl- 1 2.972 3 0 -3.12943841817492 16681776 COC1=C(C=C(C=C1)C\2=CNN/C2=C/3\C=CC(=CC3=O)OCC4=CC=CC=C4)OC 1 2.317 2 4 -5.4686828708611 16681775 CC1CCC/C(=C\NC2=CC(=C(C=C2)C(=O)O)O)/C1=O 1 2.417 1 4 -3.06963943892864 16681774 CCC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC=C(C=C1)S(=O)(=O)N 1 1.141 3 5 0 -23.2730570021512 16681773 CCO.CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(C)C(=O)O)C3=CC=CC=C3 CCO 1 4.096 0 6 -6.41469851905063 16681772 CCN(CC)CCOC(=O)C1=C2C(=CC=C1)C(C3=CC=CC=C32)O.Cl Cl- 1 3.217 1 3 -3.49820346652076 16681771 CC1=CC=C(C=C1)C(=O)C[N+]2=CC(=CC(=C2)Br)Br.[Br-] Br- 1 4.673 1 1 -1.15125724076237 16681770 CC1=CC=C(C=C1)S(=O)(=O)NCC[C@]2(C3CCC2(C(=O)C3)C)C 1 2.891 1 3 -3.83406447906435 16681769 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C)C(=O)NC3=CC(=CC=C3)OC 1 2.217 3 5 0 -21.3857989612097 16681768 COC1=CC=C(C=C1)C\2=CNN/C2=C/3\C=CC(=CC3=O)OCC4=CC=CC=C4 1 2.333 2 3 -1.13995655166252 16681767 CC(=C)COC1=CC(=O)/C(=C/2\C(=CNN2)C3=CC=C(C=C3)OC)/C=C1 1 1.813 2 3 0 -5.3777599165144 16681766 CC(C(=O)C1=CC=CC=C1)[N+]2=CC=CC(=C2)C(=O)N.[Br-] Br- 1 2.176 2 2 -5.28088266407523 16681765 CCC(C)(C)C1=CC(=C(C=C1)OCCCC[N+]2=CC=CC(=C2C)C)C(C)(C)CC.[Br-] Br- 1 8.054 1 1 4.70388541174157 16681764 C1=CC(=C[N+](=C1)CCCCC[N+]2=CC=CC(=C2)O)O.[Br-] Br- 1 3.302 2 2 6.22509764766445 16681763 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16604829 CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O 1 3.607 2 5 0 -17.6597256417441 16604811 CC1=CC=C(O1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O 1 1.889 1 5 0 -3.13623994383674 16604787 C1CC(OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br 1 2.885 3 3 -27.8778715035107 16604784 CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)N(C)CCC#N 1 1.032 5 4 0 -31.9274334630404 16594216 COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3CCCCCC3 1 3.202 3 3 -8.79730248640622 16590067 C1=CSC(=C1)C(=O)NNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N 1 1.449 3 4 0 -14.3654462448624 16589517 C1CCN(CC1)C(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 1.897 3 3 0 -7.22660262568863 16585559 C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CC3=C(C=CC=C3Cl)F 1 3.85 2 2 -14.4323529622512 16583798 CC1=CC(=NC2=CC=CC=C12)SCC(=O)OC(C)C(=O)N(C)C3=CC=CC=C3 1 4.617 2 3 -5.63604203673875 16583793 COC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)OC(F)F)C4=CC=C(C=C4)OC 1 3.72 3 6 0 -4.70961191574914 16583574 C1CN(CCC1C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)F 1 3.855 3 2 1.57068321752218 16583548 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NCCC4=CC=CC=C4 1 2 2 4 0 -14.7324421965454 16583532 CC1CC1C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C 1 2.145 2 3 -16.7595147110159 16583511 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=COCCO3 1 -0.335 2 7 0 -23.2088272513643 16583496 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCCCCC2)CCC3=CC=CC=C3 1 2.492 3 3 -7.45887782306165 16583117 C1COC(=CO1)C(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 2.088 1 4 -6.60135346277025 16583129 COC1=CC=CC(=C1)NC(=O)C2=COCCO2 1 0.512 1 4 0 -5.45938128893549 16583102 COC1=CC=CC=C1C(=O)NC2CCSC3=CC=CC=C23 1 3.056 1 2 -10.4077424419845 16583101 C1=CC=NC(=C1)CNC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 1.742 3 2 0 -17.8156038349777 16583100 CC1=C(N=C(S1)NC(=O)C2=COCCO2)C3=CC=C(C=C3)Cl 1 2.282 2 3 -3.80380325726807 16583091 CC1=CC(=C(C=C1)C)OCCC(=O)NNC(=O)C2=CC=CC=C2F 1 3.132 2 3 -10.9228416988534 16582836 C1CN(CCC1C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC(=CC=C4)Cl 1 3.524 3 2 -10.5672300067224 16582835 C1CN(CCC1C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F 1 3.802 3 2 -8.70086232781194 16582832 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3 1 2.843 3 3 -13.0082612636548 16582831 C1CN(CCC1C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)Br 1 3.608 3 2 -12.2299561090253 16582830 C1CN(CCC1C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.524 3 2 -10.7732963639238 16581512 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCCCCC3 1 1.949 2 3 0 -8.45721365275199 16579380 C1C(N(N=C1C2=CC=CO2)C(=O)C3=CC=CO3)C4=C(C=C(C=C4)Cl)Cl 1 4.535 2 3 -1.19836102622374 16578791 CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)OC)Cl)C3=CC=CC=C3 1 4.22 2 3 -2.97678827333423 16578765 COC1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 3.136 2 6 0 -17.4704366094725 16578468 CC(C(=O)C1=CC=CC=C1)OC(=O)COC2=CC=C(C=C2)C#N 1 3.139 1 4 -9.43408936574978 16578351 COC1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.628 1 5 -13.5805512086214 16578207 CC(C(=O)C1=CC=CC=C1)OC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 1.347 4 5 0 -20.331237128699 16577658 CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)OC)Cl 1 3.476 1 6 0 -19.149581076029 16577654 COC1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.506 1 5 -13.3671424519294 16577548 CCOC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)OC)OCC(=O)N3CCOCC3 1 2.521 1 7 0 -17.373855797971 16577291 CC1=CC=CC=C1COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.632 1 3 -5.53117282982406 16577278 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC=C(C=C2)OC 1 3.364 0 5 -12.9882696977593 16574036 C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)Cl)S(=O)(=O)C4=CC=CC(=C4)F 1 3.093 3 3 -18.7010242393496 16573880 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NCC(=O)NC3=C(C=CC=C3C)C 1 2.411 3 3 -18.8229629514258 16573898 CC1CCC2=C(C1)C=C(S2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCC4 1 4.822 2 2 -15.9225966225557 16573896 CC1=C(OC2=CC=CC=C12)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCC4 1 4.314 2 3 -5.03794930942565 16573575 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCC4 1 2.575 4 3 0 -18.0711351202205 16573564 C1=CC(=CC=C1CNC(=O)CNC(=O)C2=CC=C(O2)Br)Cl 1 2.308 2 3 -12.4678105108951 16573489 COC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCC4 1 3.089 4 4 0 -16.735065521741 16573488 CC1=C(OC2=CC=CC=C12)C(=O)NCCC3=CC=C(C=C3)OC 1 4.007 1 3 1.8875458895802 16573451 CC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCC4 1 2.448 5 3 0 -13.0940881682499 16573446 CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 2.759 3 4 0 -18.4486893468917 16573437 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=CC=CC(=N3)C 1 2.05 3 2 -6.95087281218564 16573428 CC1=CC(=NC=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CO2 1 1.755 3 3 0 -15.1840169446103 16573427 CC1=CC(=NC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCC4 1 2.652 5 3 0 -12.660194515842 16573403 CC1=CN=C(C=C1)NC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 4.074 3 2 -14.4634791924234 16573397 C=CCNC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCC3 1 1.817 4 3 0 -20.9519193809891 16573386 C1CN(CCN1C(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4F 1 2.001 3 4 0 -21.5118680333187 16573384 C1CN(CCN1C(=O)CNC(=O)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.338 3 6 0 -28.3364605254731 16573310 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)C3=CC4=CC=CC=C4C=C3 1 2.768 3 4 0 -19.3883885430565 16573308 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43 1 4.041 3 3 -20.4515994456185 16573303 C1CN(CCN1C(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4 1 1.796 3 4 0 -22.9403531739736 16573302 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C 1 1.811 3 5 0 -23.2113516123126 16573289 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CCOCC3 1 2.761 1 3 6.41883105420986 16573278 C1CCN(C1)C2=NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)C(=O)NCCC4=CC=C(C=C4)F 1 3.311 4 3 0 -15.6102222871316 16573255 CCC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3)C 1 3.303 3 1 -2.75740537504083 16573152 C1COCCN1C(CNC(=O)COC2=CC=C(C=C2)C#N)C3=CC=CS3 1 2.037 3 3 -15.7833239377103 16572567 CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3 1 1.982 3 4 0 -16.886189160561 16567397 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=CC=C5 1 4.762 4 2 -6.56889680208799 16565077 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC2=CC=C(C=C2)C3=NN=CO3 1 1.136 3 5 0 -13.6066008262309 16565003 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC(=S)N3CCCC3 1 2.255 3 4 0 -27.828204532065 16564853 CCN(CC1COC2=CC=CC=C2O1)C(=O)CN3C(=O)C(NC3=O)(C)C4=CC=C(C=C4)C 1 2.64 3 5 0 -13.6596100946841 16564661 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)COC(=O)COC2=CC=CC=C2C#N)N 1 0.288 5 7 0 -16.3567091349377 16564566 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3 1 3.363 4 4 0 -22.1623625194017 16564446 CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC3=CC=CC(=C3)C(F)(F)F 1 4.501 2 2 -3.15206660013649 16561258 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)C4=CC=CC=C4 1 3.801 4 3 0 -4.33262626721027 16561243 C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 3.394 4 2 -7.70442432642082 16561223 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4 1 3.254 4 3 0 -15.100662781318 16561221 C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=COCCO3 1 2.094 2 3 -2.03391339443965 16560707 CCC1=NOC(=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(CC)CC)N3CCOCC3)C 1 1.828 4 5 0 -25.9646946794029 16559742 C1CSC2=CC=CC=C2C1NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl 1 2.542 2 4 -23.6457398956068 16559520 CC1=C(C=C(C=C1)F)NC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 3.042 3 3 -5.9348597519095 16559499 CC1=C(C=CC(=C1)Cl)NC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 3.501 3 3 -5.03352873171818 16558605 CCC1=NOC(=C1C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3)C 1 2.678 3 3 -12.6538153957369 16558533 CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)Cl 1 5.052 1 2 -2.03755451798439 16557746 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4 1 2.248 3 4 0 -19.8840749301749 16557745 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 2.707 3 4 0 -19.874663848118 16557733 CC(C(=O)NC1=CC=CC=C1N2CCCC2)OC3=CC(=CC=C3)Cl 1 4.221 2 2 -6.84672423688541 16557718 C1CCN(C1)C2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F 1 3.769 3 3 -9.03635926275378 16557712 C1CCN(C1)C2=CC=CC=C2NC(=O)CN3C(=O)C4CC=CCC4C3=O 1 1.694 3 3 0 -7.63260511127209 16557711 CC1=C(C=C(C=C1)C(C)C)OCC(=O)NC2=CC=CC=C2N3CCCC3 1 4.753 2 2 -3.99528390967425 16557710 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3N4CCCC4 1 2.841 3 3 -5.69738649771273 16557651 CCC(=O)C1=CC=C(C=C1)OCC(=O)N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C4CC4 1 3.716 3 4 0 -10.5673107626152 16557646 CC1=C(C=C(C=C1)OCC(=O)N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C4CC4)C 1 4.281 3 3 -6.46002694600239 16557633 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N(CC3=NN=C(O3)C4=CC=CC=C4Cl)C5CC5 1 2.764 4 5 0 -19.91057470019 16557598 C1CC1N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5 1 2.278 4 5 0 -20.7323062808722 16557597 C1CC1N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C(=O)COC4=CC=CC=C4 1 3.309 3 3 -6.93076196981789 16557594 C1CC1N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N5CCOCC5 1 2.943 4 5 0 -20.1104333801559 16556558 C1C(N(N=C1C2=CC=CS2)C(=O)COC3=CC=C(C=C3)Cl)C4=CC=CO4 1 4.157 2 3 -7.68677190929146 16556280 C1CCC(CC1)(C#N)NC(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O 1 1.976 4 3 0 -8.60477497380339 16555187 CN(CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 2.232 4 4 0 -16.1239946240235 16554883 CC(C1=CC=CC=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.673 3 3 -22.6541802779332 16554084 CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=S)NCC3CCCO3 1 3.366 3 2 -16.6942600494386 16554024 C1CC(OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F 1 2.342 3 3 -27.808449354965 16554011 C1CC(OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.342 3 3 -28.7037201556099 16554010 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3CCCO3 1 2.469 3 4 0 -30.5947865419274 16554008 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3CCCO3 1 2.622 3 3 -29.4155971810752 16553846 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OC 1 1.862 2 6 0 -17.6836828845246 16553767 CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C2=C(C=CC(=C2)Br)Br 1 1.36 2 5 0 -21.6958101647508 16553200 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)F 1 4.607 4 2 -10.4110234458673 16553178 C1CN(CC1NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3 1 4.107 3 2 5.60494180080732 16553064 CCN(CC1=CC=CC=C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC 1 5.276 2 3 -12.1751955006613 16553059 CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3=C(C=CC(=C3)OC)OC)C 1 2.816 3 4 0 -16.2433119189874 16553032 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC3=CC(=CC=C3)Cl 1 3.629 2 5 0 -8.30127772091882 16553031 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=C(C=C4)OC 1 2.21 4 7 0 -11.9499790244214 16552873 C1COC(=CO1)C(=O)NC2=C(C=C(C=C2)F)Cl 1 1.398 1 3 0 -4.44299431668997 16552729 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 2.331 3 4 0 -20.206790247318 16552726 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=C(C3=C(O2)C(=CC=C3)Cl)C 1 4.917 2 3 0.221964712779793 16552684 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4F)F 1 2.003 3 4 0 -22.1873047586537 16552669 C1CN(CCN1C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC(=C5)F 1 4.498 4 3 0 -11.7466139972307 16552641 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CSC2=CC=C(C=C2)F 1 3.499 2 2 -14.6274463823708 16552639 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CSC2=CC=C(C=C2)Br 1 4.042 2 2 -14.9739844623507 16552638 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CSC2=CC=CC=C2 1 3.294 2 2 -16.2624886331522 16552627 CCC1(C(=O)N(C(=O)N1)CC(=O)N(CC)CC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 2.522 4 4 0 -18.2629563151089 16552602 C1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 2.897 4 3 0 -5.10535251821729 16552535 CC1=NC=C(N=C1)C(=O)NCCC2=CC=C(C=C2)OC 1 1.336 3 2 0 -12.708980541267 16552510 C1COC(=CO1)C(=O)NC2=CC=C(C=C2)C#N 1 0.407 2 3 0 -8.02885962414969 16552489 CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3=CC=C(C=C3)C#N)C 1 2.728 4 2 -16.9965365673152 16552481 CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3)C 1 4.501 2 2 -4.11294232768498 16552459 CC1=C(C=C(C=C1)C(C)C)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 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1 2.555 4 6 0 -9.86983953608537 16543803 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC(=O)C4=CC=C(C=C4)Cl 1 3.489 2 6 0 -21.5027459830432 16543802 CC1=CC(=C(C=C1)C)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 4.125 2 5 0 -16.6094994176606 16543799 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCCOC4=CC(=CC=C4)Cl 1 3.866 2 6 0 -18.0445331525116 16543422 CCCCC1CCC(CC1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C 1 4.008 2 4 -17.3723489628202 16543203 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2(CC2)C3=CC=CC=C3 1 2.467 2 5 0 -16.2588238999727 16542161 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)C(F)(F)F 1 3.955 2 5 0 -1.83088402586235 16542152 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=C(C=CC=C3Cl)Cl 1 3.394 3 6 0 -9.70661561994232 16542151 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCCC3=CC=CC=C3 1 2.394 3 6 0 -14.5311397095088 16542150 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=C(C=C3)Cl 1 2.73 3 6 0 -8.54155654309761 16542114 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] 1 2.907 3 7 0 -5.95058339519365 16542109 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 -3.e-003 3 8 0 -19.4692581141856 16542101 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=C(C=C(C=C3)Cl)Cl 1 3.401 3 6 0 -13.2638287776633 16542091 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=C(C=CC(=C3)F)F 1 2.477 3 6 0 -9.99663779660321 16542089 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC(=CC=C3)F 1 2.271 3 6 0 -8.71238747227562 16542086 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 2.278 3 6 0 -13.5960012911297 16541248 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 3.321 2 6 0 -21.1171361920478 16541046 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl)N 1 2.578 7 4 0 -18.0901077595733 16541017 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4 1 2.835 4 5 0 -32.7144576609532 16541012 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4 1 2.421 4 5 0 -27.4489434103588 16541010 CC(C(=O)NC1=CC=CC=C1OC)SC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4 1 3.699 3 4 0 -24.6898791969154 16541004 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4 1 2.836 4 4 0 -24.9684651132721 16540881 CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)/C=C/C2=CC=CC=C2 1 3.152 2 3 -10.409345746085 16540400 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl 1 3.696 1 6 0 -12.9328990297112 16540250 C1=CSC(=C1)CC(=O)OCC(=O)NCC2=CC=C(C=C2)F 1 2.522 1 3 -13.9188097055035 16540180 C1=CC=C(C=C1)C2=CC=C(C=C2)COC(=O)C3=CC(=CC=C3)O 1 4.545 0 3 1.14549431560237 16540015 CCOC(=O)N1CCN(CC1)C(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C 1 3.274 2 5 0 -12.8251339023075 16539895 CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)O)C4=CC=CC=C41 1 4.127 2 4 -3.69626067610744 16539331 CC1(CC1(Cl)Cl)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2 1 1.941 1 4 0 -7.04213530478653 16538511 CC1CC(CN(C1)C(=O)COC(=O)C2=NN3C(=CC(=NC3=N2)C)C)C 1 1.584 5 3 0 -18.9638806674977 16537956 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N 1 1.95 2 7 0 -19.3045008748764 16537926 C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N 1 0.948 3 6 0 -20.2657807605559 16537172 CC1CN(CC(O1)C)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3 1 1.92 3 3 0 -16.2182039273039 16536954 CC1CCCN(C1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Br 1 1.995 2 4 0 -16.1456255638503 16536922 CC1=CC=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl 1 2.404 3 4 0 -11.779699846288 16536084 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3OC 1 1.807 5 4 0 -31.6471932077783 16536082 CCCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3OC 1 1.886 5 4 0 -33.7529723141688 16536063 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3OC 1 0.906 5 4 0 -32.8878496890452 16535329 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2CCCCC2 1 3.019 1 5 -13.2028594330645 16535314 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC(C)C2=CC=CC=C2 1 3.122 1 5 -15.1019755734682 16535313 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2CCCC2 1 2.563 1 5 -12.8483909188964 16535307 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCC2=CC=CC=C2 1 2.744 1 5 -14.9506292077416 16535304 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2CC2 1 1.65 1 5 0 -13.3619970990635 16535301 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.505 1 7 0 -13.1480607853134 16535268 CCOC1=CC=C(C=C1)OCCC(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl 1 3.274 2 5 0 -7.78075507675946 16535239 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=C(C=C(C(=C2)OCC)N3CCOCC3)OCC 1 3.252 2 8 0 -14.8362011101152 16535225 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.523 1 7 0 -14.5933619388819 16535222 CCOC1=CC=C(C=C1)OCCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(=O)C 1 2.961 1 6 0 -14.8139979091698 16534871 CC(C1=CC=CC=C1)NC(=O)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C 1 3.182 1 5 -18.0933827485914 16534867 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC(=O)NCC3=CC=CC=C3)C 1 2.804 1 5 -17.9420363828648 16534865 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)COC3=CC=CC4=C3OC(C4)(C)C 1 2.088 2 8 0 -29.9082746301903 16534848 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)COC2=CC=CC3=C2OC(C3)(C)C 1 1.987 2 7 0 -20.0929683097091 16534846 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)COC2=CC=CC3=C2OC(C3)(C)C 1 3.265 1 6 0 -16.8503739244328 16534712 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.656 3 6 0 -24.4176228365734 16534711 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.141 2 7 0 -26.3101173669582 16534705 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.806 2 6 0 -11.0824194089569 16534680 CCC(=O)C1=CC=C(C=C1)OCC(=O)OC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.14 3 6 0 -23.5790579953145 16533936 C1CC(OC1)CNC(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 1.492 2 5 0 -17.3855167036319 16533934 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.001 3 7 0 -27.1023945418235 16533930 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.952 3 5 0 -8.22322516035524 16533911 CC1CCCCN1C(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.634 2 4 -13.0989682197519 16533901 C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 1.967 3 5 0 -14.2286736867156 16533888 CN(C1CCCCC1)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2F 1 2.074 2 4 -17.7687263504228 16533883 C1=CC=C(C(=C1)C(=O)NCC(=O)OCCOC2=CC(=CC=C2)Cl)F 1 3.247 1 4 -11.7947993476756 16533876 CC1CN(CC(O1)C)C(=O)COC(=O)COC2=CC=C(C=C2)C#N 1 1.108 2 5 0 -17.2302944310659 16533864 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)COC2=CC=C(C=C2)C#N 1 2.573 3 4 0 -9.47492476374352 16533857 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)COC3=CC=C(C=C3)C#N 1 2.55 3 7 0 -16.6060842429259 16533854 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)COC3=CC=C(C=C3)C#N 1 1.613 4 5 0 -21.9116013432066 16533782 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)CCOC3=CC=CC=C3 1 3.103 2 6 0 -22.0672441214064 16533779 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CCOC2=CC=CC=C2 1 2.942 2 4 -7.08802756120798 16533769 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CCOC3=CC=CC=C3 1 1.982 3 5 0 -19.8177356027194 16533241 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3 1 2.01 3 5 0 -11.8062796553752 16533239 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCCOC2=CC(=CC=C2)Cl 1 3.231 1 5 -8.29895983988535 16533034 CC(C1=CC=CC=C1)NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.284 2 4 -15.7566711187203 16533033 COC1=CC=CC=C1CNC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.89 2 5 0 -15.8405568867933 16533023 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.504 3 5 0 -15.3031323569151 16533008 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.659 3 6 0 -24.3033317192775 16532966 CC1=CC(=CC(=C1)OCC(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl)C 1 3.666 2 4 -7.09715896317664 16532956 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)COC3=CC(=CC(=C3)C)C 1 3.644 2 7 0 -14.4435902635987 16532953 CC1=CC(=CC(=C1)OCC(=O)OC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C 1 2.706 3 5 0 -19.7221321369736 16532612 CC1=CC(=CC=C1)OCC(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl 1 3.18 2 4 -5.75734282493405 16532331 COC1=C(C=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 1.549 3 7 0 -23.634535323112 16532330 COC1=C(C=C(C=C1)C(=O)OCCOC2=CC(=CC=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.77 1 7 0 -21.1870035637697 16531923 CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCS(=O)(=O)C4)C 1 3.353 3 4 0 -30.3127591733416 16531158 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CCSC2=CC=CC=C2 1 2.152 2 5 0 -15.7825822320326 16531103 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CC=C3)NC(=O)C 1 1.701 2 6 0 -16.4495854024512 16530718 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3)OCC 1 3.1 1 7 0 -21.8156831663618 16530540 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4 1 3.449 2 6 0 -27.3881045582014 16530525 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F 1 2.068 2 6 0 -27.0918718285618 16530472 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 1.771 3 6 0 -21.6476107417123 16530462 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCCOC3=CC(=CC=C3)Cl 1 2.992 1 6 0 -19.20007898237 16530429 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)CCC2CCCCC2 1 3.953 1 4 -14.558342119975 16530422 CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCC2CCCCC2 1 4.456 1 3 -11.8864662452259 16530392 CC1=CC=CC(=C1O)C(=O)OC(C)C(=O)NC2CCCC3=CC=CC=C23 1 4.072 1 4 -6.04384257531331 16530158 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Cl 1 2.899 1 4 -10.1484418261288 16530155 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC(=CC=C2)Br 1 3.563 1 3 -9.66037509249032 16530141 CC1=CC=C(C=C1)C(=O)NCC(=O)OCCOC2=CC(=CC=C2)Cl 1 3.527 1 4 -9.73536167922 16529840 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=O)NC3=CC=CC=C32 1 3.294 1 4 -11.0043092885333 16528952 CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 3.73 2 6 0 -28.281556545224 16528914 CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N3CCOCC3 1 0.802 3 8 0 -29.8309179754027 16528876 CC1=C(C=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 2.052 3 6 0 -22.5410627287349 16528787 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 2.052 3 6 0 -23.0266221506481 16528430 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C 1 3.929 3 3 -11.2402711790838 16528426 CCC(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl 1 3.812 2 3 -8.67376113648666 16528422 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2 1 3.147 1 4 -12.7434487465894 16528115 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC3=C(C=C(C=C3)Br)Cl 1 3.439 3 3 -15.3844499347885 16528073 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=CC=C2CC3=CC=CC=C3 1 2.782 1 5 -19.1862848959011 16528010 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C2CCC(CC2)C(C)(C)C 1 4.417 1 4 -16.6468515254297 16527979 CC1CCCCN1C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.125 2 4 0 -6.74025499951652 16527869 CC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)Br)S(=O)(=O)N3CCOCC3 1 3.047 2 4 -18.4248945518881 16527759 CC1=C(C=CC(=C1)Br)SCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C 1 3.554 2 4 -14.1207976218405 16527549 CC(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.451 1 5 -20.0412953950412 16527218 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)Br 1 2.314 3 6 0 -21.306238591328 16527127 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)/C=C/C3=CC(=C(C=C3)O)OC 1 1.624 3 6 0 -15.0647295693287 16527123 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)/C=C/C3=CC(=C(C=C3)O)OC 1 2.108 3 6 0 -15.6511657214738 16526671 C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C#N 1 2.55 4 4 0 -28.4512976979549 16526665 C1=CC(=CC(=C1)F)C(=O)NCC(=O)OCCOC2=CC(=CC=C2)Cl 1 3.247 1 4 -9.47443360433171 16526656 CCOC1=CC=CC=C1C(=O)NCC(=O)OCCOC2=CC(=CC=C2)Cl 1 3.374 1 5 -12.2235309666465 16526102 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CC2=CC=CC=C2F 1 3.099 2 3 -7.71908225335523 16525814 CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)COC(=O)C2=CC=CC=C2NC)N 1 0.246 5 6 0 -20.3593474215559 16525813 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC=CC=C2NC 1 2.667 3 3 -11.0324872291548 16525724 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NCCC3=CC=CC=C3 1 0.571 5 5 0 -25.9523499613993 16525718 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)C3=CC=C(C=C3)Cl 1 1.527 4 5 0 -20.6809392980436 16525705 CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 1.392 5 5 0 -21.8686341377196 16525694 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 0.711 5 6 0 -26.3625087030554 16525691 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 1.833 4 5 0 -19.5355895611897 16525679 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 0.164 6 6 0 -24.007419596241 16525672 CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C 1 1.322 5 7 0 -27.8301809664614 16525668 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC3=C(C=CS3)C(=O)N 1 -0.968 6 6 0 -25.64056198657 16525647 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C 1 2.432 5 6 0 -30.6600365861658 16525645 CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)C 1 2.934 5 5 0 -29.512402777615 16525542 CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=NNC3=CC=CC=C32 1 3.364 3 3 -15.2866063594603 16525397 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)Br)O 1 4.158 2 4 -6.60074970342225 16525398 CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=C(C=CC(=C2)Br)O 1 3.394 2 4 -5.00732600646252 16525190 CC1CC1C(=O)OC(C)C(=O)NC2=C(C=C(C=N2)Cl)Cl 1 2.868 2 3 -4.49801142235886 16525183 CC1CC1C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC 1 1.641 1 5 0 -15.6643078653908 16525032 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CC3=CC(=CC=C3)C(F)(F)F 1 3.953 3 3 -5.85646267595551 16525029 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CC2=CC(=CC=C2)C(F)(F)F 1 3.836 2 3 -2.60184410001776 16525023 C1CN(CCN1C(=O)COC(=O)CC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.176 2 5 0 -17.6624140460679 16524961 COC1=C(C=C(C=C1)CC(=O)OCC(=O)NCC2CCCO2)OC 1 1.105 1 6 0 -21.2359825344648 16524889 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=C(C=CC=C3Cl)C(F)(F)F 1 4.572 1 4 -7.41139124599345 16524867 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 2.257 2 7 0 -26.2832285678907 16524529 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC 1 1.5 4 5 0 -17.3584255550438 16524511 CC1=NC=C(N=C1)C(=O)OC(C)C(=O)NC2CCCC3=CC=CC=C23 1 2.238 3 3 -14.6406514324637 16524502 CC1=NC=C(N=C1)C(=O)OC(C)C(=O)NC2=CC=CC3=CC=CC=C32 1 2.124 3 3 -15.3674278170667 16524475 CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3=CN=C(C=N3)C 1 2.83 3 4 0 -18.7321717400608 16524463 CC1=NC=C(N=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 0.609 4 5 0 -26.3687146209356 16524443 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN=C(C=N3)C 1 2.92 3 4 0 -21.8489124707071 16524436 CC1=NC=C(N=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl 1 4.057 3 3 -15.5832742916774 16524435 CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN=C(C=N3)C 1 3.422 3 3 -21.3023604228502 16524273 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)N)S(=O)(=O)N3CCOCC3 1 0.568 5 4 0 -26.9878125146633 16524269 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C(S3)N 1 1.311 5 3 0 -26.4471203024058 16524268 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C1CCC(C1)NC(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3F 1 2.213 5 2 0 -18.3860438032592 16542850 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3F)S(=O)(=O)N4CCOCC4 1 1.678 6 5 0 -29.3133877310949 16542848 C1CC1NC(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3F 1 1.3 5 2 0 -18.8996499834264 16542842 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=C(N3N)COC4=CC=CC=C4F 1 1.678 6 5 0 -32.0547537094972 16542772 C1CS(=O)(=O)CC1NC(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3F 1 0.318 5 4 0 -24.8348469849155 16542732 C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3F 1 2.634 6 1 0 -14.5843757803157 16523093 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)CC2CCCC2 1 2.176 2 5 0 -17.8522028922947 16523091 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CC2CCCC2 1 3.11 2 3 -7.92860088247138 16523089 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CC2CCCC2 1 1.762 2 5 0 -16.9175572179249 16523087 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)CC2CCCC2 1 3.041 1 4 -13.9190370588341 16523079 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CC2CCCC2 1 2.177 2 4 -14.4370789208383 16523062 C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)CC2=C(C=CC=C2Cl)F 1 3.098 1 4 -12.1582887123385 16522780 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC(=C3)C(F)(F)F 1 3.426 2 4 -15.7378195409532 16522702 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2CCC2 1 2.095 1 4 -12.3285429317035 16522588 C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=CN=C(C=C2)Cl 1 1.916 2 4 0 -13.0367312295637 16522511 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(O2)Br)OCC 1 3.277 1 6 0 -17.3387570883668 16522506 C1=C(OC(=C1)Br)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC=C(O2)Br 1 1.235 2 8 0 -12.4911199813119 16522076 C1CN(CCN1C(=O)COC(=O)C2=CC(=CC=C2)OC(F)F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.005 2 6 0 -21.3194179280053 16521688 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4 1 3.244 2 6 0 -29.4321808304978 16521677 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3 1 1.454 2 6 0 -29.9737787485537 16521670 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.863 2 6 0 -29.1359481008582 16521597 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 1.566 3 6 0 -23.6916870140087 16521551 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 2.837 3 5 0 -17.4444754462858 16521440 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)F 1 3.449 2 6 0 -27.8566620126348 16521431 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3)F 1 1.66 2 6 0 -28.3982599306907 16521422 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4 1 2.068 2 6 0 -27.5604292829952 16521358 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)F 1 1.771 3 6 0 -22.1161681961457 16521349 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCOC3=CC(=CC=C3)Cl)F 1 2.992 1 6 0 -19.6686364368034 16521202 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NCCC3=CC=CC=C3 1 2.118 2 6 0 -27.9366791196646 16521192 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl 1 2.527 2 6 0 -27.0988484719691 16521144 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F 1 2.181 3 6 0 -26.6793684420071 16521125 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.395 3 7 0 -28.0452334361995 16521118 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 0.98 3 8 0 -29.3966123607567 16521116 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCOC3=CC=C(C=C3)Br)Cl 1 3.535 1 6 0 -20.5079539231092 16520878 CCOC1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.827 1 4 -2.63499698345852 16520860 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CCC2=CC=CC=C2 1 3.349 2 3 -7.48140509992979 16520859 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)CCC2=CC=CC=C2 1 4.014 2 3 -5.32852773006079 16520857 C1CS(=O)(=O)CC1NC(=O)COC(=O)CCC2=CC=CC=C2 1 0.743 1 5 0 -18.997844123723 16520436 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)/C=C/C3=CC=C(C=C3)OCC=C 1 2.482 3 5 0 -22.7418151099315 16520435 C=CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCC2CCCO2 1 2.172 1 5 -19.9753119991342 16520434 C=CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2CCCCCCC2 1 4.584 1 4 -14.4594340966168 16520388 CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)OCC(=O)N3CCOCC3 1 0.78 3 9 0 -29.3059241744069 16520387 CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2OC)OCC(=O)N3CCOCC3 1 2.059 2 8 0 -26.1325235714205 16519927 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 3.096 2 4 -14.813509867185 16519928 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 1.974 3 5 0 -21.8088420060632 16519930 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 0.695 4 6 0 -24.6389491681416 16519944 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 1.109 4 6 0 -26.5489485541858 16519896 CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)OC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 3.319 3 4 0 -17.9657340162203 16519884 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 1.881 2 6 0 -18.1744288275517 16519825 C1CCC(C1)NC(=O)COC(=O)CNS(=O)(=O)C2=C(C(=C(C=C2)F)F)F 1 1.526 2 5 0 -14.7934327802434 16519824 C1CC1NC(=O)COC(=O)CNS(=O)(=O)C2=C(C(=C(C=C2)F)F)F 1 0.614 2 5 0 -15.3070389604105 16519788 C1CCC(C1)NC(=O)COC(=O)CNS(=O)(=O)C2=C(C=C(C=C2)Br)Cl 1 2.322 2 5 0 -12.5493339782238 16519786 C1CC1NC(=O)COC(=O)CNS(=O)(=O)C2=C(C=C(C=C2)Br)Cl 1 1.41 2 5 0 -13.062940158391 16519753 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CNS(=O)(=O)C2=C(C=C(C=C2)Br)Cl 1 2.102 3 6 0 -14.6424113330387 16519743 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NCC3=CC(=CC=C3)OC 1 1.626 3 6 0 -14.8529925308205 16519308 C=CCNC1=NC(=CS1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.405 4 5 0 -18.4109752673379 16518927 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)F 1 2.069 3 5 0 -16.0851509694812 16516566 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C)C3=CC=CO3 1 1.827 4 4 0 -19.5658658002103 16516287 CC(C)NC1=NN=C(S1)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.992 5 3 0 -20.601781760665 16516247 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(S2)NC(C)C 1 1.473 4 3 0 -27.9468269589946 16514762 C1=CC(=CC(=C1)N2C=NN=N2)C(=O)OCC(=O)C3=CC=C(C=C3)F 1 2.033 4 3 0 -21.2316877559341 16514700 COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4 1 3.632 2 6 0 -16.812593503238 16514697 CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3 1 3.965 1 5 -18.6065162026473 16514689 CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.425 2 7 0 -25.9559081990467 16513029 C1=CC=C(C=C1)C(=O)COC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.831 2 5 0 -16.034649162536 16512290 CCC(C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3CCCCC3)N(C)C 1 4.259 5 1 -21.5065374316043 16512260 CCC(C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=C(C=CC=C3F)F)N(C)C 1 4.389 5 1 -18.1597069939707 16512236 CCC(C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N(C)C3=CC=CC=C3)N(C)C 1 4.183 5 1 -18.5427031307645 16512155 CCC(C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NNC(=O)C3=CC=CC=C3)N(C)C 1 3.234 6 2 0 -21.9073259108921 16511458 CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)F)CC3=CC=CS3 1 3.444 4 1 -15.5333987978553 16510915 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4 1 3.242 4 4 0 -20.9173833769941 16510799 CN(CCC#N)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCCCC3 1 1.82 3 5 0 -24.3234991181335 16510644 C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.676 3 7 0 -24.9073853048055 16510140 CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)N(CC)CC 1 1.751 4 4 0 -30.4155560420456 16509818 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 0.866 4 6 0 -18.5737524770901 16509433 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(S2)CCCCC3 1 2.6 1 5 -22.1670271649855 16509115 CCN(C1=CC=CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=CC=C3NCCO 1 3.054 2 4 -11.8614185531088 16509047 CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 4.158 3 3 -9.2775258218997 16509046 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=NC=C(C(=C3Cl)Cl)Cl 1 4.923 3 3 -11.3981588439635 16508957 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=NC=C(C(=C3Cl)Cl)Cl 1 3.169 4 4 0 -17.8948852504538 16508861 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C 1 1.862 2 4 0 -15.1935218987885 16508565 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2(CCCCC2)C#N)C 1 2.624 3 5 0 -15.4704574562 16508564 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CSC(=N2)CC(=O)NC3=CC=CC=C3C)C 1 3.872 3 5 0 -16.5451669676758 16508492 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl)C 1 2.595 3 5 0 -11.6748599069143 16508163 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3N=C(N=N3)C4=CC=CC=C4 1 0.946 6 4 0 -17.7171374138958 16508150 CCN(C1CCS(=O)(=O)C1)C(=O)CN2N=C(N=N2)C3=CC=CC=C3 1 0.627 5 3 0 -13.726400315499 16508141 C1CS(=O)(=O)CC1NC(=O)CN2N=C(N=N2)C3=CC=CC=C3 1 7.2e-002 5 3 0 -11.6160244034551 16507675 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 2.781 5 3 0 -17.8365262875904 16507636 C1CS(=O)(=O)CC1NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 1.325 5 3 0 -17.8056547911735 16507495 CCOC1=CC=C(C=C1)OCC(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl 1 3.026 2 5 0 -8.03014714159313 16506336 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)C)S(=O)(=O)N4CCOCC4 1 2.693 2 7 0 -15.9505613537398 16506284 CC1CCCCN1C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)C 1 3.326 1 4 -4.29882961454117 16506281 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NC3CCS(=O)(=O)C3 1 1.334 1 6 0 -10.7865631567691 16505266 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CC=C3OC 1 3.471 1 5 -11.9001734711006 16505260 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCCOC3=CC(=CC=C3)Cl 1 4.528 1 4 -6.00255417511132 16504611 CC(C(=O)N1CCOCC1)OC2=CC3=C(C=C2)C=CC(=O)O3 1 1.321 1 5 0 -16.5517644184218 16504610 CC1=CC=C(C=C1)C(=O)C(C)OC2=CC3=C(C=C2)C=CC(=O)O3 1 4.109 0 4 -7.93711457873679 16504583 C1=CC(=CC(=C1)Cl)OCCOC2=CC3=C(C=C2)C=CC(=O)O3 1 4.18 0 4 -2.32283145474841 16504524 C1CCC(CC1)(C#N)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-] 1 2.004 4 6 0 -21.7071647120789 16504497 CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C 1 2.693 3 7 0 -16.878048189811 16504399 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CC(C)C3=CC=CC=C3 1 3.719 3 3 -9.73344350437345 16504394 CC(CC(=O)OC(C)C(=O)NC1=NC=C(C=C1)Cl)C2=CC=CC=C2 1 3.601 2 3 -6.00203055720457 16503838 CC1CCCN(C1)C(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4 1 4.605 3 3 -8.12333959383748 16503751 CC1CCCCN1C(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4 1 4.664 3 3 -8.28760883344527 16503164 CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OC 1 3.058 2 7 0 -31.7063818703474 16503155 CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)OC 1 3.289 2 6 0 -24.3121707049476 16503120 CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CCCCC2)OC 1 4.231 1 5 -25.2205220841919 16503074 CC(C)COC1=CC=C(C=C1)C(=O)OCC(=O)NCCC2=CCCCC2 1 4.248 1 4 -18.5095012648002 16500672 CC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3 1 3.202 2 4 -10.0265998336077 16500373 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F)O 1 3.641 2 4 -11.5581170101321 16499275 CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2CC3CCCC(C2)C3=O)S(=O)(=O)N4CCOCC4 1 2.145 2 7 0 -22.5492850636874 16499269 CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2CC3CCCC(C2)C3=O 1 2.11 1 5 -11.4632330860884 16499268 C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.521 3 7 0 -12.7121476788652 16499261 COC1=C(C=C(C=C1)C(=O)COC(=O)C2CC3CCCC(C2)C3=O)Br 1 3.722 0 5 -8.1000699320184 16499260 COC1=CC=CC(=C1)CNC(=O)COC(=O)C2CC3CCCC(C2)C3=O 1 2.361 1 5 -10.8681045752802 16499256 COC1=CC=CC(=C1)C(=O)COC(=O)C2CC3CCCC(C2)C3=O 1 2.973 0 5 -8.19661998897057 16499252 CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)C2CC3CCCC(C2)C3=O 1 1.491 2 5 0 -9.5904412894042 16498032 CC1=CC(=NC2=NC(=NN12)SCC(=O)N(C)C3CCCCC3)C 1 2.992 5 1 -16.2901261795503 16497244 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=C(C=C4)OC(F)F 1 1.611 5 5 0 -14.7840349084498 16497201 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C4=CC=C(C=C4)F 1 2.019 4 5 0 -18.9757201740732 16497186 CCC1(C(=O)N(C(=O)N1)CC(=O)NCC(=O)NC2=CC=CC(=C2C)C)C3=CC=C(C=C3)F 1 2.474 4 4 0 -11.3497866204088 16497181 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C4=CC=C(C=C4)F 1 2.476 4 5 0 -19.3301886882413 16497172 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)N3CCCCC3)C4=CC=C(C=C4)F 1 3.521 4 3 0 -5.28876744596302 16497136 CCC1(C(=O)N(C(=O)N1)CC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)C4=CC=C(C=C4)F 1 2.25 4 4 0 -11.4451414064194 16497093 CCC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F 1 2.319 4 5 0 -19.1115569090455 16497051 CC1=C(C(=CC=C1)C(C)C)NC(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O 1 3.575 3 3 -7.56036079606588 16497042 CCCC(C)NC(=O)CN1C(=O)C2(CCC3=CC=CC=C32)NC1=O 1 2.024 3 3 -13.0602087373158 16497036 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)C4=CNC5=CC=CC=C54 1 2.807 3 3 -2.37980068194221 16496658 CC1CCCN(C1)C(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.065 2 4 -10.9944789303933 16496649 C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N)Cl 1 2.201 3 5 0 -12.267400958218 16496647 C1=CC=C(C=C1)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.146 1 3 -5.34587225466891 16496638 C1CCC(CC1)(C#N)NC(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.281 3 4 0 -10.3426869769936 16496637 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.586 2 6 0 -17.894890373029 16496611 CC1CCCCN1C(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.123 2 4 -11.1587481700011 16496599 CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C 1 4.356 3 4 0 -12.6511955690492 16496258 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CCC3=CNC4=CC=CC=C43 1 2.683 4 4 0 -22.233248509771 16496104 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC3=CC(=CC(=C3)OC)OC 1 2.402 3 5 0 -14.4089062930762 16496092 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC3=CC(=CC=C3)Cl 1 3.099 3 3 -8.37351763078268 16496077 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC3=CC(=C(C=C3)C)C 1 3.407 3 3 -11.558598296462 16496039 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCCC2=CC=CC=C2 1 2.762 1 5 -20.9920653919255 16496008 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C 1 1.724 2 8 0 -31.0968841751822 16495976 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)N(C)C2=CC=CC=C2 1 2.639 1 5 -16.6955016992661 16495970 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.676 2 6 0 -14.5667071949778 16495967 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC(C)C2=CC=C(C=C2)F 1 3.023 1 5 -19.2073823385975 16495959 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)N2CCC3=CC=CC=C32 1 3.198 1 5 -21.2189138859099 16495953 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C 1 0.919 1 7 0 -27.33305332833 16495950 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2 1 0.57 1 7 0 -27.0236664959232 16495945 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C 1 4.023 0 5 -14.4035807495236 16495922 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2CCS(=O)(=O)C2 1 0.364 1 7 0 -25.9301837966023 16495902 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=C(N(C(=C2)C)CCOC)C 1 2.513 1 6 0 -25.0029301760353 16495899 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.311 2 7 0 -26.9100185770266 16495898 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.647 2 7 0 -30.1558255010982 16495896 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C 1 3.59 2 5 0 -21.3995162570937 16495895 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F 1 2.824 2 5 0 -19.7347547142681 16495887 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC 1 2.407 1 7 0 -25.4126416902933 16495886 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCCOC2=CC(=CC=C2)Br 1 4.178 0 5 -13.1136755048173 16495801 C1CC2=CC=CC=C2C3(C1)C(=O)N(C(=O)N3)CC(=O)NC4=C(C=CC(=C4)F)F 1 2.761 3 3 -4.49758751576768 16495800 CCC1=CC(=CC=C1)NC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 3.293 3 3 -4.25239190105108 16495799 CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O)C 1 2.869 4 4 0 -12.7960278751983 16495727 COC1=C(C=CC(=C1)C(=O)O)OCC2=CC=NC=C2 1 1.859 1 4 0 -6.72653582344729 16495307 CC1=C(C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)CCN.Cl Cl- 1 3.263 2 1 -1.43499719440221e-002 16493877 CCN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCN3CCOCC3)\NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 2.682 4 6 0 -23.0925779562907 16493860 CCN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCN3CCOCC3)\NC(=O)C4=CC(=C(C=C4)OC)OC 1 2.636 4 5 0 -23.9779859348379 16493848 CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCN3CCOCC3)\NC(=O)C4=CC(=C(C=C4)OC)OC 1 1.453 5 7 0 -25.2321143035657 16493835 CN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCN3CCOCC3)\NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 2.271 4 6 0 -20.3975683994741 16493826 CN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCN3C=CN=C3)\NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 2.249 5 5 0 -16.7094454442673 16490961 CCN(CC)CCNC(=O)/C(=C/C1=CN(C2=CC=CC=C21)C)/NC(=O)C3=CC(=C(C=C3)OC)OC 1 3.297 4 4 0 -19.4312518736092 16490955 CN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCN3C=CN=C3)\NC(=O)C4=CC(=C(C=C4)OC)OC 1 2.265 5 4 0 -17.78764086133 16490954 CN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCN3CCOCC3)\NC(=O)C4=CC(=C(C=C4)OC)OC 1 2.35 4 5 0 -21.6685512550523 16490953 CN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCN3CCOCC3)\NC(=O)C4=CC(=C(C=C4)OC)OC 1 2.287 4 5 0 -21.4757638165368 16489145 CC1CCCN(C1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C 1 1.977 2 3 0 -12.4736115647472 16489114 CC1=NC(=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 2.836 3 2 8.43205925799817e-002 16489104 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.633 3 5 0 -21.1014980750497 16488278 CC1CC2=CC=CC=C2N1C(=O)CSC3=NC=CC=N3 1 2.408 3 1 -10.5746810804042 16487940 CC(C(=O)NC1=CC=CC=C1)SC2=NC=CN2C 1 2.127 3 1 -7.39444373171413 16487936 CCC(C(=O)NC1=NC=CS1)SC2=NC(=CC(=N2)C)C 1 2.32 4 1 -12.2772168991331 16487558 C1CC2=CC=CC=C2N(C1)C(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl 1 3.902 2 2 -8.14647343924788 16486457 CC1=C(C(=O)NN1)C(C2=CC(=C(C(=C2)Cl)OCC(=O)OC)OC)C3=C(NNC3=O)C 1 0.148 4 6 0 -15.4713556279189 16486361 CC(C(=O)NC1CCCCC1)SC2=NN=C(N2C)C3=CC=NC=C3 1 2.66 5 1 -10.5821208473466 16485349 CCC(C(=O)N1CC(=O)NC2=CC=CC=C21)OC3=CC=C(C=C3)Cl 1 3.134 2 3 -11.5579075888841 16485231 CC1=CC=CC=C1NC(=O)CN2C(=CC=C2C3=CC=C(C=C3)OC)CCC(=O)O 1 4.036 2 4 -12.2213836055665 16502284 COC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 2.573 2 5 0 -18.3147213040432 16502279 C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 2.672 3 4 0 -20.4293302502447 16502274 CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 3.529 2 4 -20.8915766299178 16483664 CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.748 3 4 0 -27.4694838584037 16482926 CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C(C2=C(NNC2=O)C)C3=C(NNC3=O)C 1 -0.206 5 6 0 -8.63405818766411 16482392 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.679 2 3 -0.247012923082118 16482233 CCOC(=O)C1=C(N=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3C)C 1 2.147 3 4 0 -11.557621301325 16481089 CCN1C(=NN=C1SCC(=O)N2CCOCC2)CNC(=O)C3=CC(=CC=C3)C 1 1.256 5 3 0 -24.2668750383798 16478662 CCC(C)C(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2CCC(CC2)C 1 3.205 3 4 0 -29.3940073184906 16478659 CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NCCN2CCOCC2 1 2.354 3 3 -23.2427509250835 16478658 CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NC2=CC=C(C=C2)OC 1 4.087 2 3 -19.3557245089198 16478657 CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NC2=CC=CC=C2F 1 4.309 2 2 -19.4088135226181 16478633 CCC1CCC(CC1)C(=O)NC(C(C)C)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 3.205 3 4 0 -28.1547393946062 16477395 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC=NC=C3 1 1.522 3 3 0 -15.680719513292 16477392 C=CCSC1=CC=CC=C1C(=O)NC2=NC=NN2 1 2.075 4 1 -14.1177006326723 16477038 CC1=C(C=C(C=C1)OC(C)C(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3)C 1 3.547 3 3 -19.1625237485485 16477036 CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3C=CN=C3 1 0.973 4 3 0 -16.1731503239864 16476476 CC1=NC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.783 3 3 -8.93561768431193 16476111 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 1.928 3 5 0 -16.6409080078159 16473041 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC=C(C=C3)N(C)C)C(=O)C(F)(F)F 1 3.683 3 3 -15.6646367354374 16473040 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC=C(C=C3)OC)C(=O)C(F)(F)F 1 3.505 2 4 -13.4163165659689 16473035 CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C2C3=CC=C(C=C3)OC)C(=O)C 1 2.479 2 4 -13.1901651407214 16472994 CCC(C)C(C(=O)NCC1=CC=CO1)NC(=O)C2CCC(CC2)C 1 3.36 2 3 -25.9189044351142 16472969 CCOC(=O)CC1=CSC(=N1)NC(=O)C(C(C)C)NC(=O)C2CCC(CC2)C 1 3.38 3 4 0 -24.2054274664138 16472050 CC1=NON=C1OC(C)CNCCNC2=CC=C(C=C2)[N+](=O)[O-].Cl Cl- 1 1.771 5 4 0 -9.04297846160884 16472035 C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)NCC4=CC=CC=C4.Cl Cl- 1 4.287 4 0 2.33846344473615 16469462 CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)/C=C/3\C(=O)NC(=O)N(C3=O)C4=C(C(=CC=C4)Cl)C 1 5.08 3 5 0 -4.56442780156909 16468113 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=CC=C3OCC4=CC=CC(=C4)C(=O)O)/NC2=O 1 3.262 3 6 0 -9.64351261959261 16467952 COC1=CC=CC(=C1)CNC(=O)CCCC(=O)NC(CC2=CC=CC=C2)C(=O)OC 1 2.567 2 5 0 -23.7084623134175 16467950 CC1=CC=C(C=C1)NC(=O)CC(C)CC(=O)NC(CC2=CC=CC=C2)C(=O)OC 1 3.315 2 4 -11.9929272620986 16467945 CC(CCC1=CC=CC=C1)NC(=O)CCC(=O)NC(CC2=CC=CC=C2)C(=O)OC 1 3.283 2 4 -18.2621113813427 16467936 CC(CC(=O)NC1=C(C=C(C=C1)OC)OC)CC(=O)NC(CC2=CC=CC=C2)C(=O)OC 1 2.796 2 6 0 -16.3928327173702 16467505 COC1=CC(=C(C=C1)N2C(=O)/C(=C/C3=CNC4=C3C=C(C=C4)Br)/C(=O)NC2=O)OC 1 3.656 3 5 0 2.88701231981456 16467264 COC1=C/C(=C/NNC(=O)CC2=CC=CC=C2)/C=C(C1=O)[N+](=O)[O-] 1 0.471 3 5 0 -3.50050634623951 16467159 CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2CCCO2 1 1.193 2 4 0 -15.695446813964 16467153 COCCNC(=O)C1=CSC(=N1)NC2=CC=CC3=CC=CC=C32 1 2.154 3 2 -6.73681358564671 16466646 C1C(OC2=CC=CC=C2O1)C(=O)NN/C=C\3/C=CC(=O)C(=C3)[N+](=O)[O-] 1 0.521 3 6 0 -3.01970585566075 16466490 CN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCN3CCOCC3)\NC(=O)C4=CC=CC=C4Cl 1 2.985 4 3 0 -16.5853099372061 16466297 CC(CCC1=CC=CC=C1)NC(=O)CCC(=O)N2CCC(CC2)C(=O)O 1 1.843 2 4 0 -21.1329211886852 16466143 CCN(CC)CCCNC(=O)C1=CSC(=N1)NC2=CC=CC3=CC=CC=C32 1 3.183 4 1 -5.43472022906437 16466063 CN(C)CCNC(=O)C1=CSC(=N1)NC2=CC=CC3=CC=CC=C32 1 2.423 4 1 -1.38749023991314 16465914 C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NN/C=C/4\C=CC=CC4=O 1 1.457 4 4 0 -2.88238857159895 16464889 CCOC(=O)C1CCCN(C1)C2=NC(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/S2 1 2.961 2 5 0 -9.15605665289318 16464556 COC1=CC=C(C=C1)NC2=NCCCCC2.Br Br- 1 2.362 2 1 -4.2476404265665 16463828 CCOC1=C(C=CC(=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)C)OCCOC4=CC=CC=C4 1 4.379 4 4 0 -18.8818334909255 16463823 C=CCNC(=S)/C(=C(/C1=CC=C(C=C1)Cl)\[O-])/[N+]2=CC=CC=C2 1 3.525 2 1 -5.96006346589959 16463633 CC1=CC=CC=C1OCCOC2=C(C=C(C=C2OC)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C)OC 1 4.5 4 5 0 -15.7122870112405 16463605 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)C3=CC=CC=C3)O[C@@H]1N=[N+]=[N-])O 1 0.939 4 5 0 -7.24487881107948 16463507 CCC1=NN2C(=N)/C(=C\C3=CC(=C(C=C3)OCCOC4=CC=CC=C4)OC)/C(=O)N=C2S1 1 4.697 4 4 0 -21.4407452025644 16463353 CC1=CN=C(S1)NNC(=O)C2=CC=CC=C2OC.Cl Cl- 1 1.126 3 2 0 -5.10031904420895 16463337 CCC1=C(C=C(O1)C(=O)OC)CSC(=N)N.Cl Cl- 1 2.07 2 3 -6.40804421724887 16463326 CCOC(=O)COC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC)OC 1 3.552 2 7 0 -14.1846938991838 11779386 C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CC3=CC=CC=C3 1 3.985 1 1 4.89096809793322 11770150 COCOC1=CC(=C(C=C1)C=O)OCOC 1 1.259 0 5 0 -1.32818032844955 11769816 C=CCOC1=C(C=C(C=C1)C(=O)O)Cl 1 2.724 0 3 -6.62374524337888 11759359 C[N+]1=NN(C2=CC=CC=C21)CC(=O)C3=CC=CC=C3.[Br-] Br- 1 3.62 3 1 -2.78379854563667 11751549 CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=N[N-]4)CO)Cl.[K+] K+ 1 3.799 6 1 0 -4.29075609166974 11746314 COCOC1=C(C=C(C=C1)C=O)OCOC 1 1.259 0 5 0 -7.70322225207065 11742454 CCN1N=C(N=N1)NC(C2=CC=C(C=C2)F)P(=O)(OC(C)(C)C)OC(C)(C)C 1 3.256 5 3 0 -6.38688002382707 11731607 C[N+]1=CC=C(C=C1)C2=NN=C(N2CCO)SC.[I-] I- 1 1.473 4 1 0 -1.80569073976205 11726019 COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3O)OC)OC)O)O 1 2.361 0 8 0 4.73869924480857 11710296 C1CC2=C(C(=O)C1)C3=C(C=CC=C3N2)/C(=C/C4=CC=CC=C4)/C5=CC=CC=C5 1 5.979 1 1 -4.41541591568268 11703534 CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 5.425 0 3 8.79564594044162 11699883 CC(C)C[C@]12[C@@H]3[C@H]([C@H](N1C(=O)N(C2=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)Br)C(=O)N(C3=O)C(C)(C)C 1 5.336 3 4 0 3.3644245285234 11694131 CC12CCCCC1NS(=O)(=O)OC2 1 0.729 1 3 0 -2.94658891011025 11688239 C/C(=C\C1=CC=CC=C1)/C2=CC(=CC3=C2C4=CC=CC=C4O3)OC 1 5.749 0 2 -0.46639170123506 11687636 CCOC(=O)C1=CC=C(C=C1)/[N+](=C/C2=CC=CC=C2)/[O-] 1 2.701 1 3 -4.8039819810606 11667167 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=C(ON=C2C)/C=C/N(C)C 1 2.046 3 3 -4.70125458664691 11665606 COC1=C(C=C(C=C1)CCN)O.Cl Cl- 1 0.998 1 2 0 3.10643215493742 11662408 C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]4C(=O)NC5=CC=CC=C5C(=O)N4[C@@H]3C6=CC=CC=C6 1 2.254 3 4 0 -7.20107098773012 11658013 CCCCNCC(=O)N1[C@@H]([C@H]2[C@@H]([C@]1(C)C(=O)OCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)N(C2=O)CC)C3=CC=C(C=C3)OC 1 6.182 3 6 0 -3.69061822596511 11655292 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC)/C=C/N(C)C 1 1.224 4 5 0 -8.30717862278045 16322676 CC(C1CC2CCC1C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl 1 3.061 2 3 -13.5636205796201 16322675 CC(C(=O)NCCC1=CCCCC1)OC2=CC=CC(=C2)[N+](=O)[O-] 1 3.579 2 4 -15.9836005616386 16322670 COC1=C(C=C(C=C1)CNC(=O)CN2C(=O)C3(CCCC4=C3C=CS4)NC2=O)OC 1 1.857 3 5 0 -17.2642167919977 16322628 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)S(=O)(=O)C4=CC=C(C=C4)C(C)C 1 3.965 2 2 -1.87707719109789 16322623 CCNC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2 1 0.983 4 4 0 -24.296881673243 16322610 CC1CN(CC(O1)C)C(=O)CSC2=NC(=CC(=N2)N)N 1 0.407 5 2 0 -15.5325080508061 16322586 CN(C)C1=CC=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 3.765 3 3 -29.0352432177842 16322567 C1CCN(C1)C(CNC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4Cl 1 3.708 4 2 -14.3623128078594 16322564 COC1=CC=CC=C1C(CNC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)N4CCCC4 1 3.027 4 3 0 -16.8247724842478 16322562 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43 1 2.492 4 4 0 -23.5394166532838 16322558 CC1=NC2=C(C=CC=C2OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C=C1 1 2.496 3 4 0 -21.419062353141 16322552 C1CS(=O)(=O)CC1N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 1 2.842 3 3 -11.8205292425256 16322537 CC1=C(C=CC(=C1)Cl)OCC(=O)N(CC2=CC=CO2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 3.004 4 5 0 -4.9440363265852 16322535 C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CC3=CC=CO3)C(=O)C4=CC(=CC=C4)F)N 1 2.223 4 4 0 -7.10655831046448 16322534 C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CC3=CC=CO3)C(=O)COC4=CC=C(C=C4)Cl)N 1 2.518 4 5 0 -6.95671251855913 16322533 CC1=CC(=CC(=C1)C(=O)N(CC2=CC=CO2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N)C 1 2.99 4 4 0 -8.29427414531848 16322532 COC1=CC(=CC(=C1)C(=O)N(CC2=CC=CO2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N)OC 1 1.985 4 6 0 -10.386772217954 16322505 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 0.668 4 7 0 -25.3510774573781 16322478 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)CC3=CN(N=C3)C4=CC=CC=C4 1 4.233 4 3 0 -7.95461003973194 16322468 C1CC(N(C1)CC(=O)N)C2=CC3=C(C=C2)OCCO3 1 1.033 2 3 0 -2.49237657363854 16322463 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4 1 3.777 3 3 -9.96954857585739 16322452 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)N3CCC4=CC=CC=C4C3 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3 5 0 -13.6267473927709 16316140 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C(C)(C)C 1 2.736 3 4 0 -20.0554099502331 16316114 CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(N2C3CC3)C4CC4 1 4.48 3 1 -8.82109565794363 16316084 CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)S(=O)(=O)N3CCCCC3 1 2.931 3 5 0 -16.4454567612057 16316073 C1CC2=C(C=CS2)C3(C1)C(=O)N(C(=O)N3)CC#N 1 0.977 3 2 0 -5.66256676651671 16316061 CC1(CCS(=O)(=O)C1)NC(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5CC5 1 1.377 5 3 0 -22.8614621220701 16316018 CC(C1=CC=CO1)NCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 1.367 3 3 0 -14.189433771047 16316013 CC(C(=O)N(C)CC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4 1 3.928 3 3 -19.1201912424757 16316010 CN(CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)S(=O)(=O)/C=C/C2=CC=CC=C2 1 0.558 3 5 0 -12.0630367475512 16316005 C1CS(=O)(=O)CC1NC(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 1.13 2 6 0 -17.3052690068119 16316001 CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 1.489 4 6 0 -23.0798454577991 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CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N 1 0.529 6 5 0 -18.692281641738 16315838 CN(CC1=CC(=CC=C1)F)C(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O 1 2.313 3 3 -6.86355320183893 16315830 CC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC)OC 1 2.443 2 5 0 -13.9395412451848 16315813 C1CC(OC1)COCC(CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)O 1 0.827 2 5 0 -22.2315986877604 16315811 CC1CN(CCN1CC(COC2=CC=C(C=C2)C#N)O)CC(COC3=CC=C(C=C3)C#N)O 1 2.655 4 4 0 -5.69014318757271 16315774 C1CC(CN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)C(=O)N 1 1.591 3 3 0 -9.39652898263455 16315772 CN(CC1=CC(=C(C=C1)OC)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.392 2 4 -14.7625211645839 16315750 CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4)F 1 1.429 3 6 0 -11.9815626578157 16315707 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C3CC3)C4CC4 1 2.114 5 2 0 -17.3534649373381 16315703 CC1=CC=CC=C1C2=NN=C(O2)SC(C)C(=O)NC3CCCC3 1 3.644 3 2 -10.8339969076166 16315693 COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 1.094 2 8 0 -26.8160986656436 16315692 CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.444 2 5 0 -23.9908942601228 16315691 C1CCN(C(C1)C(=O)O)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.356 2 5 0 -22.1597272314596 16315689 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)C 1 2.425 2 6 0 -26.3679977600622 16315672 CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)C3=CC=C(C=C3)Cl 1 2.077 3 3 -13.0628971764309 16315670 CC1=CC(=C(C=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)OC)OC 1 3.186 2 4 -6.45966300059313 16315641 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4 1 1.916 3 4 0 -12.4132226877979 16315611 CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N 1 1.053 6 5 0 -19.7568837974926 16315591 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2)C(=O)OC 1 0.342 2 5 0 -20.5267877976505 16315584 CC1=CC=CC=C1CN2CCN(CC2)C(C)C(=O)NCC3=CC=CC=C3 1 3.474 3 1 -9.96332937948309 16315571 CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SC(C)C(=O)NCC4CCCO4 1 3.861 3 2 -17.2991242268618 16315565 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC4=CC=CC=C4 1 1.877 3 5 0 -19.9409230251219 16315564 CC1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.364 3 5 0 -19.3758317536093 16315546 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4 1 3.044 3 4 0 -24.0142771674301 16315544 COC1=CC=CC=C1CNC(=O)CN2C(=O)C3(CCCC4=C3C=CS4)NC2=O 1 1.873 3 4 0 -15.076560192291 16315539 C1CCC(C1)N2C(=O)C(=O)N(C2=O)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N 1 2.466 4 4 0 -14.5435158674331 16315538 CC1=CC(=C(N1CCC2=CC(=C(C=C2)OC)OC)C)C(=O)CN3C(=O)C(=O)N(C3=O)C4CCCC4 1 3.45 3 6 0 -19.3788350446953 16315532 C1CN(C(=O)N1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)COC4=CC=C(C=C4)Cl 1 2.537 5 4 0 -20.3383683100801 16315499 CC1=CC(=C(C=C1)CN(C)C(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O)C 1 3.536 3 3 -7.15171328230238 16315487 C1C(OC2=CC=CC=C2O1)CNC(=O)CN3C=C(C=CC3=O)[N+](=O)[O-] 1 0.147 3 6 0 -13.8252094297659 16315480 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=NN=CS4 1 0.909 5 4 0 -27.4719595323435 16315458 CC(C1=CC=C(C=C1)Br)NC(=O)C2=NC3=CC=CC=C3C=C2 1 4.362 2 1 -8.52969835569946 16315449 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC3=CC=C(C=C3)C(F)(F)F 1 2.795 3 3 -16.3755549731846 16315443 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=C(C=C(C=C3)OC)OC 1 2.329 2 5 0 -14.253129574953 16315412 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C2=CC3=CC=CC=C3N2 1 3.374 2 4 -7.51219763291571 16315381 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.384 2 6 0 -25.617609034603 16315360 CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)NC3CCCC3 1 2.634 4 3 0 -15.422399566599 16315329 C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2OC)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4 1 1.952 3 6 0 -15.9406975003705 16315322 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CO4 1 2.809 3 5 0 -24.9731751736136 16315304 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 0.29 4 7 0 -25.3662555756077 16315282 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CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CS3 1 2.881 3 4 0 -21.5269933818935 16315141 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CS3 1 2.601 3 4 0 -15.8975680770729 16315137 CC(C(=O)N1CCCC1)SC2=NN=C(N2C3CC3)C4=CC=CC=C4F 1 3.314 4 1 -11.3988817562129 16315096 CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)C 1 2.396 5 3 0 -9.79743451393317 16315095 CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)C 1 1.613 7 3 0 -20.3828226615406 16315094 CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)N5CCOCC5 1 1.158 7 4 0 -14.5918954374262 16315093 CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)N5CCOCC5 1 1.158 7 4 0 -18.9160947320545 16315092 CC(C1=NN=C(O1)SCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N)OC4=CC=C(C=C4)F 1 1.578 5 5 0 -15.8492542824839 16315068 CC1(CCS(=O)(=O)C1)NC(=O)CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl 1 0.347 5 4 0 -12.56967469871 16315036 C[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)F)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4 1 2.174 3 5 0 -13.0348563512871 16315034 COC1=CC=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 3.586 2 4 -26.7869230483157 16315029 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.275 3 3 -15.4300418924302 16315023 CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=C(ON=C4C)C)C5=CC=CC=C5 1 3.329 4 4 0 -13.8148255837902 16315002 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4 1 4.065 3 3 -17.6582981963137 16314998 CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3CC3)C)S(=O)(=O)N4CCOCC4 1 1.645 5 4 0 -28.1451788743226 16314983 CCC1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCC4 1 3.276 3 5 0 -21.6212521291347 16314976 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2C3CC3)CC4=CC=CS4)N 1 2.315 6 3 0 -21.6366455051834 16314960 CC1=C(N=C(C(=C1C)C#N)SCC(=O)NCC2CCCO2)C 1 2.312 3 2 -21.4776310241926 16314959 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NC(=C(C(=C2C#N)C)C)C 1 2.917 3 3 -22.6533795995987 16314957 CC1=C(N=C(C(=C1C)C#N)SCC(=O)N(C)C2CCS(=O)(=O)C2)C 1 1.667 3 3 0 -23.6310215000921 16314922 CCOC1=CC=CC=C1C(=O)NCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.818 3 6 0 -32.1281384504464 16314920 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)CC#N)O)OC 1 1.906 3 6 0 -22.4722221055532 16314900 C1CN(CCN1CC(COC2=CC=C(C=C2)C#N)O)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.945 4 2 -0.533978376961785 16314863 CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CN3CCC4=CC=CC=C4C3 1 3.783 3 2 -18.5028896287779 16314860 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NC4=CC(=CC=C4)F 1 2.248 3 4 0 -16.0489231253471 16314837 CC1=CC=CC(=C1)C(=O)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 3.462 2 3 -7.50647059787097 16314831 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-] 1 1.133 4 5 0 -13.8823683099375 16314830 CCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCC3 1 2.45 4 3 0 -22.3161138323915 16314829 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=NC3=C2C(=NN3C4CCS(=O)(=O)C4)C)C5CC5 1 2.813 4 4 0 -20.2743150234591 16314824 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)OCC3=CC=C(C=C3)C(C)C 1 3.777 2 4 -6.09639087029283 16314823 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)OC(C)C3=CC=CC=C3 1 2.96 2 4 -7.67289110474433 16314810 C1=CC=C2C(=C1)C(=CN2)C(=O)OCC(=O)NC3=CC(=CC=C3)F 1 2.82 2 3 -4.51623172128621 16314780 CC(=O)NC(CC(=O)NCCCN1C=CC2=CC=CC=C21)C3=CC=CC=C3 1 2.504 3 2 -22.038004131228 16314776 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CC2=C(C=CC=C2Cl)Cl 1 2.713 3 3 -16.1382828081953 16314715 CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.842 3 3 -8.12622814268473 16314708 CC1CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CO3 1 2.156 2 4 -24.2883376656498 16314699 CC1=C(C=C(C=C1)NC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC)S(=O)(=O)N3CCCCCC3 1 4.033 2 6 0 -23.2411890961925 16314658 CCC(CC)(C#C)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3 1 3.744 3 4 0 -22.0843459072875 16314653 C1=CC=C(C(=C1)COC2=C(N=CC=C2)[N+](=O)[O-])Br 1 3.428 2 3 -2.13273774166375 16314652 C1CC(C2=CC=CC=C2C1)NC(=O)C3=NC=CC(=C3)Cl 1 3.579 2 1 -5.34758033877485 16314650 C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)C4=C(C=CC(=C4)F)F 1 2.012 2 5 0 -18.1679146629098 16314573 CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.16 3 3 -18.2433473391677 16314566 C1C(OC2=CC=CC=C2O1)CNC(=O)CN3C=C(C=C(C3=O)Cl)C(F)(F)F 1 1.676 2 4 0 -10.5362670488687 16314556 CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)F 1 3.848 5 2 0 -7.42421710109055 16314541 CCC1=CC=C(C=C1)CN(C)C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.544 3 3 -18.9020454441642 16314537 COC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl 1 1.784 3 5 0 -26.3334678925256 16314536 CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC3=CC=CC=C3 1 2.671 2 4 -23.3629515811646 16314534 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CCNC(=O)C2=CC=CC=C2Cl 1 1.915 2 4 0 -24.3784536357342 16314522 CC1CCCC(C1C)NC(=O)CN(C)CC(=O)NC2=CC(=CC=C2)F 1 2.651 3 2 -9.15460644610157 16314507 C1CC1NC(=O)C2=CC=CC=C2NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N 1 1.117 5 4 0 -29.0488234960062 16314506 CC(C)NC1=NN=C(S1)SC(C)C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.42 5 2 0 -16.1088635764021 16314504 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCN3C(=O)C4(CCCC4)NC3=O)C 1 1.909 4 5 0 -22.6417560641217 16314492 C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.728 3 4 0 -18.5986048921823 16314476 COC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CC=C2)N3CCCC3)S(=O)(=O)N4CCOCC4 1 2.038 3 5 0 -31.8745753086775 16314466 CC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)NCC3CCCO3)C 1 2.603 3 3 -18.9647488916212 16314427 CC(C1=CC=C(C=C1)S(=O)(=O)C)NCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 1.605 3 4 0 -17.0022435121885 16314409 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCN(CC2)C(=O)OCC)OCC 1 0.884 3 8 0 -21.4859738278827 16314378 CC(C1CC2CCC1C2)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C 1 2.813 1 3 -12.9625697624996 16314377 CC1CC(CN(C1)C(=O)CN2N=C(N=N2)C3=CC=CC=C3)C 1 2.326 5 1 -8.41734541103109 16314374 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=CC=C3)N4C=CC=C4 1 2.279 3 5 0 -22.1388681125295 16314357 CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC(=CC=C3)OC 1 3.572 2 2 -2.21682034553376 16314355 CC(C1=CC=C(C=C1)F)NC(=O)C(C)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F 1 3.76 3 2 -5.70317998504051 16314347 CC(C(=O)NC1=CC=CC=C1OC)N(C)CC2=CC=C(S2)Cl 1 3.206 2 2 -0.865269662471996 16314326 CC1CCCC(C1C)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C 1 3.08 2 4 -12.5166996208976 16314324 CC(C1=CC=CC=C1)NC(=O)C(C)N2CCN(CC2)CC3=CC=CC=C3 1 3.365 3 1 -7.98356374941596 16314323 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCCC3)OC 1 1.752 3 5 0 -19.888790904192 16314274 COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N 1 1.849 6 4 0 -16.5119409276836 16314273 CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N 1 2.083 6 3 0 -15.8256477946068 16314253 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)OC)C 1 3.042 3 5 0 -5.93959214099797 16314249 CC1CCN(CC1)C(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 3.997 2 2 -16.1433746779121 16314236 CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 2.584 4 1 -4.34427329179731 16314227 CC(C)CN1C(=O)C(=O)N(C1=O)CC(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 2.03 4 5 0 -17.3254225735973 16314216 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(S3)Br)Br 1 3.531 3 1 -3.34075800744529 16314206 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=CC=CC(=C3)[N+](=O)[O-] 1 3.038 3 6 0 -17.1761582748788 16314190 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC3CCCCC3C2)OCC 1 2.997 2 4 -16.7505683360333 16314104 CC1=CC(=C(N1C2CC2)C)C(=O)CN3C(=O)C(NC3=O)(C)C4=CC(=CC=C4)OC 1 2.396 3 4 0 -8.57456355831989 16314103 CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NN=C(S2)NC3CC3 1 2.71 4 2 -13.9266227702286 16314058 CCNC1=NN=C(S1)SCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N 1 -8.7e-002 6 3 0 -19.470177310033 16314056 COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl 1 1.892 2 5 0 -13.6890175255079 16314038 CC(C(=O)NC1CCCCCC1)OC2=CC=C(C=C2)Br 1 4.42 1 2 -8.84234384379528 16314034 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)N4CCOCC4 1 1.289 5 4 0 -7.04456999778224 16314017 CCOC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C(=O)NCC3=CC=CC=C3 1 3.574 2 4 -14.1189157643177 16314014 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)NC4=CC=CC=C4C(=O)N 1 1.501 4 5 0 -20.7411344779058 16313993 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 1.188 4 5 0 -20.539155233107 16313951 CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N 1 1.115 6 4 0 -17.9193183675147 16313928 CC(C(=O)N1CCNC1=O)SC2=NN=C(N2C3=CC=CC=C3)C4CC4 1 2.427 5 2 0 -16.0761222955603 16313869 CCC1=CC2=C(S1)N=CN=C2SCC(=O)NCC3CCCO3 1 2.424 3 2 -20.4006839818455 16313776 C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)N3CCN(CC3)CC(=O)NC4=CC=C(C=C4)F 1 1.568 5 3 0 -9.6635266387296 16313775 CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4)C 1 2.335 5 3 0 -9.46653861881358 16313721 CC1=C(C(=O)N=C(N1)SCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N)CCO 1 -0.515 5 5 0 -15.5159079481377 16313720 CCN1C(=NN=C1SCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N)CC4=CC=CC=C4 1 1.632 6 3 0 -17.8141244603324 16313710 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3Cl)S(=O)(=O)NC4CC4 1 2.922 3 4 0 -11.5360598515455 16313708 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)NC4CC4)C 1 3.23 3 4 0 -8.97093446311767 16313684 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C(C=C(C=C3)OC)[N+](=O)[O-] 1 3.021 3 7 0 -15.3394533343925 16313670 CN(C)C(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)C3=CC=CC=C3OC 1 2.806 3 4 0 -22.4350528506542 16313653 C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)N3CCN(CC3)CC(=O)NC4=CC=CC=C4Cl 1 2.027 5 3 0 -10.5431523897811 16313651 CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4)C 1 4.505 4 3 0 7.64756117001994e-003 16313642 C1CN(CCN1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4 1 4.197 4 3 0 -1.06896620979751 16313629 CC(C(=O)NCC(=O)NC1=C(C(=C(C=C1)F)F)F)SC2=NC3=C(N2)C=C(C=C3)OC 1 3.209 4 3 0 -11.069189544154 16313624 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)SC2=NN=NN2C 1 2.061 6 1 0 -11.6733840193909 16313544 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C2=NNC3=CC=CC=C32 1 2.6 4 3 0 -14.9394740656817 16313537 C1CN(CCC1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.106 3 5 0 -20.0924770430152 16313369 CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)NCC4CCCO4 1 3.377 3 2 -21.798081433045 16313304 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC=CC(=C4)C(=O)C 1 1.672 3 6 0 -16.2188111117772 16313300 C1C(OC2=CC=CC=C2O1)CNC(=O)COC3=CC=C(C=C3)Br 1 3.084 1 4 -8.42315219645627 16313290 CC1=C(SC2=C1C(=NC(=N2)C)SC(C)C(=O)C3=C(N(C(=O)N(C3=O)C)C)N)C 1 1.821 5 3 0 -16.0357747189377 16313266 COC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3(CCCC4=C3C=CS4)NC2=O 1 1.873 3 4 0 -12.9623023612251 16313262 C1=CC(=C(C=C1Cl)NS(=O)(=O)C2=C(C=CC(=C2)Br)Br)N3C=NC=N3 1 4.021 4 2 -5.49446958345099 16313258 CC(C(=O)N(C)C1(CCCCC1)C#N)SC2=NN=C(N2C3CC3)C4CC4 1 3.399 5 1 -11.6637497752656 16313206 CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C4N2N=CC4 1 3.41 5 1 -14.4795507792507 16313191 CN(CC(=O)N(C)CC(=O)NC1=CC=CC=C1Br)C2CCCCC2 1 2.828 3 2 -12.4053277287051 16313152 C1CN(CCN1C(=O)C2=CN(N=C2)CC3=CC=CC=C3)S(=O)(=O)/C=C/C4=CC=CC=C4 1 2.003 4 3 0 -15.5179807561396 16313107 C1CC(OC1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NS(=O)(=O)C4=CC=CC=C4F 1 1.495 3 6 0 -22.6312443705874 16313105 C1CC(OC1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NS(=O)(=O)C4=CC=C(C=C4)F 1 1.495 3 6 0 -18.9073542320208 16313104 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)NCC4CCCO4 1 1.776 3 6 0 -19.619231257486 16313103 C1CC(OC1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NS(=O)(=O)C4=CC=CC=C4 1 1.289 3 6 0 -21.0430394909708 16313048 COC1=C(C=C(C=C1)C(=O)NC2CCCC3=CC=CC=C23)Br 1 4.369 1 2 -6.60407380047995 16313040 CC(C1=NC(=O)C2=CC=CC=C2N1)OC3=C(C=C(C=C3)F)Br 1 3.767 2 2 -3.14971628410942 16313036 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2CCCCO2)[N+](=O)[O-] 1 2.337 2 6 0 -17.4043123104528 16312999 C1=CC=C(C=C1)OCCNC(=O)C2=CC3=NNN=C3C=C2 1 2.229 4 2 -7.16597204161212 16312996 CC1=C(SC=C1)CN(C)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.459 3 3 -13.4829030288869 16312977 C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)S(=O)(=O)C5=CC=CC=C5C#N 1 2.401 6 2 0 -6.96050164465644 16312963 CN(C)C(CC1=CC=CC=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 3.641 3 3 -12.4435320925109 16312944 CC1CCCC(C1C)NC(=O)CCNC(=O)C2=CC=C(C=C2)Cl 1 3.439 2 2 -14.4767303230472 16312923 C1CN(CCN1CCOC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Br 1 2.891 2 3 -8.88202330147685 16312903 CC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C(C)C3=CC=CC=C3 1 2.756 2 2 -4.8225001448893 16312902 CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)F 1 2.476 2 2 -4.11062311942405 16312838 CC1CCC(CC1)N(C)C(=O)CN2C(=O)C(NC2=O)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC 1 3.654 3 5 0 -9.20560674544204 16312830 C1=CC=C(C(=C1)NC(=O)CCCSC2=CC=C(C=C2)Cl)O 1 4 1 2 -0.830700208764745 16312815 CC(C)N(C(C)C)C(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br 1 1.977 3 3 0 -16.1345275004755 16312814 CC1CCCCC1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 2.496 3 3 -21.5772070499212 16312813 C1CCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 1.441 3 3 0 -17.7093419433562 16312810 CC(C(=O)NC1CCCC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl 1 2.514 3 3 -23.8043987229004 16312809 CC(C(=O)N1CCCC1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F 1 3.235 3 4 0 -21.943825406909 16312697 CCN(CC)C(CNC(=O)CSC1=NN=NN1C2=C(C=CC=C2C)C)C3=CC=CO3 1 3.569 6 2 0 -24.4996245252887 16312667 C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)OC1 1 0.97 2 7 0 -17.5336176145279 16312660 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5 1 2.263 5 3 0 -11.9130469650946 16312622 CC(C(=O)NC1CCCC1)SC2=NN=NN2C3=CC(=CC=C3)F 1 2.952 5 1 -15.3112867484328 16312597 CC(C(=O)NC1CCCC1)SC2=CC=CC=N2 1 2.706 2 1 -10.271380674584 16312568 CC(C(=O)NCC1CCCO1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 2.66 5 2 0 -12.008953091244 16312522 CCCN1C=CN=C1SC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.092 5 2 0 -18.8669270951091 16312479 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCC2C3=CC=CS3 1 4.564 1 1 -2.69579113196361 16312444 CC1=CC(=C(C=C1CN2CCN(CC2)C(C)C(=O)NC(C)C3=CC=CC=C3)OC)OC 1 3.819 3 3 -8.88638897411154 16312434 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CCC2=CC=C(C=C2)F 1 2.03 2 5 0 -19.5694733250682 16312388 COC1=CC(=C(C=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)OC 1 2.859 2 5 0 -18.3080210681561 16312386 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N(CC3=NN=C(O3)C4=CC=CC=C4Cl)C5CC5 1 4.887 3 4 0 5.03551356383798 16312359 CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)NC4CC4)F 1 2.203 3 5 0 -14.0272002650737 16312339 CC(C(=O)N)SC1=NC=C(C=C1)S(=O)(=O)N2CCCC2 1 0.676 3 3 0 -16.8079582699074 16312301 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N(CCOC)CCOC 1 -0.162 4 5 0 -26.8636374963671 16312172 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)C4=CC=C(S4)Br 1 3.035 2 3 -4.20622713623779 16312094 CCCN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 1.294 1 6 0 -15.958465453715 16312029 CC1=NC(=C(C=C1)OCC(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-] 1 2.887 4 5 0 -13.8589315887745 16311908 COC1=NC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)F 1 2.426 4 3 0 -12.2890187497881 16311830 COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCCC2)F 1 3.123 1 4 -13.5819210528237 16311815 CC(CNC1=NC=NC2=C1SC(=C2)C3=CC=C(C=C3)F)O 1 3.07 3 1 4.00502114377793 16311784 COC1=CC=CC=C1CNC(=O)COC(=O)C2=CNC3=CC=CC=C32 1 2.605 2 4 -12.7787603318898 16311738 C1CC(CC=C1)C(=O)NC2=NC=CS2 1 1.629 2 1 0 -2.65847633371122 16311735 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 2.877 4 4 0 -13.8276429911672 16311697 CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)NC3=CC(=CC=C3)F 1 2.607 2 3 -10.4340535906578 16311646 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2CCCCC2C)C3=CC=C(C=C3)OC 1 2.821 3 4 0 -12.768606497463 16311607 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)NC2CCCCC2 1 2.423 3 3 -12.7469933949228 16311602 CC(C1=CC=CC=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.409 3 3 -25.6884607903459 16311596 C1CN(CCN1C(=O)CCNC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 1.986 4 4 0 -23.2632827869324 16311566 CCC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl 1 3.071 3 4 0 -16.5997010528527 16311564 CCN(CC)S(=O)(=O)C1=CN(C(=O)C=C1)CC(=O)N2CC3=CC=CC=C3CC2C(=O)N 1 -0.686 4 5 0 -16.0906369094826 16311501 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCCOC3=CC=C(C=C3)OC 1 3.523 2 5 0 -22.0355790846044 16311495 CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CNC2=CC(=CC=C2)[N+](=O)[O-] 1 2.463 4 4 0 -15.570712634125 16311492 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl 1 2.621 3 4 0 -23.7938420390188 16311462 COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F 1 4.422 2 5 0 -17.6540102926957 16311460 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.17 2 5 0 -15.2948287447861 16311353 CC1CC(CN(C1)C(=O)COC(=O)C2=NC=CN=C2N)C 1 0.426 4 3 0 -15.4262130803413 16311347 C1CN(CCN1C(=O)C2=COCCO2)S(=O)(=O)C3=CC(=CC=C3)Br 1 0.49 2 5 0 -19.5640099402174 16311346 COC1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 3.625 2 4 -20.3570782202327 16311345 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CC=CC=N3 1 2.915 2 1 -7.74146469886799 16311336 CCN(CC1=CC(=C(C=C1)OC)F)C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.14 3 4 0 -18.4502802015806 16311323 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC(=O)C=C(N3)N 1 1.639 5 4 0 -22.1681633012814 16311107 C1=CC=C(C=C1)N2C=NC=C2C(=O)NC3=CC=C(C=C3)C(=O)N 1 1.577 4 2 0 -6.07535113624106 16311105 CCN(CC1=CC=CS1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.322 3 3 -13.8811743775514 16311084 CCCN1C(=CC(=O)N=C1SCC(=O)NC2=C(C=CC(=C2)Cl)OC)O 1 3.256 3 4 0 -15.2262409673269 16310991 CC1C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)NC1=O 1 1.772 2 3 0 -20.4410002593455 16310988 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2CCSC3=CC=CC=C23 1 1.896 2 3 0 -12.8713475651318 16310987 COC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.484 3 5 0 -27.6492708484406 16310978 C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=NC3=CC=CC=C3S2 1 2.548 3 2 -10.6945025295659 16310916 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=NC(=O)C=C(N3)N 1 1.385 5 5 0 -20.489713811677 16310878 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(C)C2=CC=C(C=C2)F 1 3.173 2 3 -6.80449785002725 16310865 CC(C1=CC=C(C=C1)F)NC(=O)C(C)N2CCN(CC2)CC3=CC=CC=C3 1 3.571 3 1 -5.16294935644735 16310834 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)N3CCCCC3C 1 1.853 3 3 0 -10.1228986653313 16310810 CC(C(=O)NCC1=CC=C(C=C1)OC)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F 1 2.22 3 4 0 -24.5924868780051 16310796 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3CCCCC3)C 1 2.48 3 3 -8.99784325974267 16310785 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)OCC(=O)N(C)C3CCCCC3 1 2.123 3 5 0 -12.3530647191621 16310784 CC(C(=O)N1CCCC1)OC(=O)C2=CNC3=CC=CC=C32 1 2.189 2 3 -8.25676540750291 16310781 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4 1 2.132 4 5 0 -25.7986556917549 16310726 CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 2.619 4 3 0 -10.2424768640965 16310723 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.52 4 4 0 -6.6038257233236 16310714 C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NCC(=O)NC3=CC=CC=C3Br)C4=CC=CC=C4 1 4.887 4 2 -6.25710495153376 16310696 C1CN(CCN1C(=O)CCSC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 3.134 2 3 -18.7326703224385 16310693 CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-] 1 2.658 4 5 0 -10.7138134287357 16310670 CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(S3)NC 1 0.998 5 2 0 -25.2858629491062 16310567 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)OCC3=CC=C(C=C3)C 1 3.069 2 4 -6.37985056694446 16310560 CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCC3=CC=C(C=C3)OC 1 3.285 3 4 0 -23.0453996075695 16310542 CC1=NOC(=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)Cl 1 2.498 2 4 -8.67634607831556 16310450 CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NN=C(N2C3CC3)C4CC4 1 3.76 4 2 -12.8780235692103 16310432 CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN3C(=O)C(=O)N(C3=O)C(C)C 1 0.33 4 5 0 -17.715568995116 16310431 CCOCCCN1C(=O)C(=O)N(C1=O)CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C 1 -0.116 4 6 0 -19.9405079917636 16310379 C1CN(CCN1CC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)C4=CC=CC=C4 1 3.022 2 4 -13.1790227339305 16310378 CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Br)SC3=CC=CC=C3 1 3.454 2 3 -18.1664305708292 16310377 COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)NC3CCCC3 1 2.773 2 6 0 -20.5475222699556 16310376 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C 1 3.224 3 4 0 -23.8395090636443 16310371 C1CC(C2=CC=CC=C2C1)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.839 3 4 0 -17.0193504099158 16310335 CCCN1C(=O)NN=C1SC(C)C(=O)NC2CCCC2 1 2.435 4 2 -16.4183638206284 16310331 C1CC1NC(=O)C2=CC=CC=C2NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 1.238 4 4 0 -27.4875069825841 16310275 C1CCN(C1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/C(=O)O 1 3.62 2 6 0 -13.6422038922422 16310221 C1CCN(C1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC=C(C=C3)C(F)(F)F)/C(=O)O 1 4.004 1 4 -8.70227321691823 16310213 CC1=CC=CC=C1C(=O)OCC(=O)NCCSCC2=CC=CC=C2C#N 1 3.307 2 3 -18.0114479016897 16310201 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=CC(=C(C=C3)OC)F 1 2.551 2 4 -14.3029343882602 16310188 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CC=CC=N3 1 1.869 2 5 0 -15.9451261274491 16310059 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CSC2=NN=C(N2C3CC3)C4CC4 1 2.231 5 3 0 -23.6354349810539 16310092 CC1(C(=O)N(C(=O)N1)CC(=O)NCCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4 1 1.889 3 5 0 -14.0856121487949 16310000 CC(C1=CC=CO1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 3.055 2 4 -24.8282927105028 16309881 CSCCC(C(=O)N1CCN(CC1)C2=CC=CC=N2)NC(=O)C3=CC=CC=C3Cl 1 2.797 4 2 -16.5433917749162 16309822 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC=CC=N2 1 -0.113 3 3 0 -19.2782722728866 16309752 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4 1 3.043 4 3 0 -24.4009300395914 16309670 CC(=O)C1=CC=C(C=C1)OCCCC(=O)NCC2=NN=C3N2C=CC=C3 1 1.449 4 3 0 -21.509095094407 16309615 CCCN1C(=CC(=O)N=C1SCC(=O)NC2=CC(=CC=C2)F)O 1 2.814 3 3 -13.0540459137457 16309614 CCCN1C(=CC(=O)N=C1SCC(=O)NC2=CC=CC=C2Cl)O 1 3.272 3 3 -14.84438730795 16309603 CCC(CC)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br 1 2.092 3 3 -18.7090863698154 16309601 C1CCC(CC1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 2.176 3 3 -18.5428025423008 16309600 CC1CCCC(C1C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 2.748 3 3 -19.45006876814 16309592 CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=O)C(=O)N(C3=O)C(C)C 1 1.698 3 4 0 -10.6639339939288 16309571 CC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.412 2 5 0 -11.521637471829 16309570 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5 1 2.281 3 5 0 -6.53430941304887 16309566 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)N 1 2.514 6 3 0 -19.8796319017489 16309536 CN(CCOC1=CC=C(C=C1)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.553 2 5 0 -14.2558332635265 16309532 CN(CC1=CC(=C(C=C1)OC)F)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.289 2 5 0 -17.8135718084802 16309516 CCN(CC(=O)NCC1=CC=C(C=C1)F)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C 1 1.757 4 4 0 -19.2941363466446 16309509 CN(CC1=CC=C(C=C1)F)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3OC 1 3.511 2 4 -9.71026413871392 16309500 C1CCN(C1)C(=O)CN2C(C(=O)NC3=CC=CC=C32)CC(=O)NC4=CC=C(C=C4)Br 1 2.293 4 3 0 -20.816307922829 16309483 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)Cl)OC)CC3=CC(=C(C=C3)OC)OC 1 2.649 3 6 0 -9.07042973990583 16309475 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)O)Cl 1 3.786 3 4 0 -11.730213090441 16309462 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)C 1 2.407 5 3 0 -4.11282183398571 16309455 CC1=CC=C(C=C1)OCCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 3.202 2 5 0 -18.8301475734936 16309453 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C 1 2.448 3 3 -19.0443308918237 16309422 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)N(C)CC2=CC3=CC=CC=C3C=C2)C 1 2.53 3 4 0 -15.2394410528885 16309419 CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 2.312 5 3 0 -17.4002096432688 16309414 CCOC1=C(C=C(C=C1)NC(=O)C(C)OC2=CC=C(C=C2)C#N)S(=O)(=O)N3CCCC3 1 2.723 3 5 0 -23.7884085964946 16309408 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)C2=CC(=O)C3=CC=CC=C3O2 1 3.275 2 4 -10.1186803609149 16309397 CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.854 3 4 0 -19.4028813904587 16309384 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4 1 2.874 4 3 0 -24.8829913889141 16309382 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4 1 1.624 4 3 0 -25.8606332894076 16309381 C1CC1N2C(=NN=C2SCC(=O)NC3CCS(=O)(=O)C3)C4=CC=CS4 1 1.419 4 3 0 -24.8521198924973 16309345 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CC=CC=C4 1 4.655 4 2 -8.36990741917384 16309341 COC1=C(C=C(C=C1)NC(=O)CCC2=CC=CC=C2OC)S(=O)(=O)N3CCCCC3 1 3.107 2 5 0 -23.465675065694 16309309 C1CCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br 1 1.835 3 3 0 -18.7831055976946 16309307 C1CC(C2=CC=CC=C2C1)NC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.591 3 4 0 -15.9045678482639 16309283 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CC4=C(C=CC=C4Cl)F 1 2.174 3 5 0 -21.9557212814374 16309264 CCN(CC)C(CNC(=O)CSC1=NN=NN1C2=CC(=C(C=C2)C)C)C3=CC=CO3 1 3.569 6 2 0 -23.1792161123891 16309257 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC(C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C 1 3.055 2 6 0 -14.1097952314158 16309207 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC(C3=CC=CO3)N4CCCC4 1 3.896 3 4 0 -21.828807889639 16309186 C1=CC=C(C=C1)COC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O 1 4.263 1 5 -4.86975742291331 16309185 CC(C1=CC=CC=C1Cl)NC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 3.564 3 3 -20.5508854421375 16309167 CC1=NSC(=C1C(=O)OC(C)C(=O)NCC2=CC=CC=C2)NC 1 2.041 3 3 -14.0147982160881 16309165 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4 1 2.199 4 5 0 -25.4597764921549 16309160 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)N(C)CC3=C(C=CS3)C 1 2.368 3 3 -10.890381870644 16309159 COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CN3C(=O)C4(CCCC4)NC3=O 1 1.291 4 5 0 -6.99758478940997 16309144 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)NCC(C3=C(C=CC=C3Cl)F)N(C)C 1 4.108 3 3 -13.3428981304418 16309139 CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.534 3 5 0 -10.4508774029187 16309134 CC(C(=O)NC1=CC=CC=C1OC)N(C)CCOC2=CC=CC=C2 1 3.056 2 3 -8.53872714299665 16309119 CCN1C(=NN=N1)SCC(=O)N(C)C2CCS(=O)(=O)C2 1 -0.655 5 3 0 -32.2614285557147 16309090 CN(CC(=O)NCC1CCCCC1)CC(=O)NC2=CC=C(C=C2)F 1 2.41 3 2 -10.447593457975 16309086 CCNC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)N3CCOCC3 1 1.616 4 5 0 -10.5272478560136 16309071 C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4 1 2.139 3 5 0 -17.1902989195852 16309066 CC1=C(OC2=CC=CC=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)F)F 1 3.32 2 4 -7.45009423042469 16309063 CCC1=C[N+](=C(C=C1)C)CC(=O)C2=CC=CS2.[Cl-] Cl- 1 3.731 1 1 -4.93238867798079 16309061 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CSC2=NC3=NC=C(C=C3N2)Cl 1 2.378 5 3 0 -15.933784722926 16308997 CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NCC3CCCO3 1 2.556 2 4 -21.865481207497 16308984 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC3=CC=CC=C3C=C2OC)N 1 1.303 4 5 0 -9.50815188297577 16308959 C=CCN1C=NN=C1SCC(=O)NCC2COC3=CC=CC=C3O2 1 1.622 4 3 0 -21.0827265146594 16308958 CCC(C1=NN=C(N1C2=CC=C(C=C2)OC)SC(C)C(=O)NC3CC3)N(C)C 1 3.352 5 2 0 -13.2705951098138 16308946 CN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC.Cl Cl- 1 2.483 2 4 -9.09484143412518 16308923 COC1=CC(=C(C=C1N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4)Cl)OC 1 3.032 3 5 0 -6.63995632072423 16308914 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 2.106 4 4 0 -13.8126243545636 16308895 C1CS(=O)(=O)CC1NC(=O)CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl 1 0.142 5 4 0 -15.9474954467068 16308893 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3 1 1.209 2 7 0 -15.0343173916497 16308890 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3 1 1.209 2 7 0 -18.1725494227661 16308839 CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N3CCN(CC3)C(C)C4=CC=CC=C4 1 4.178 2 4 -12.0754672625151 16308838 CC(C(=O)NC1=C(C=C(C=C1)F)Cl)NC2=NS(=O)(=O)C3=CC=CC=C32 1 2.61 3 3 -9.4448374568641 16308818 CC1CC1C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 1.962 1 5 0 -14.7689546511215 16308816 CN(CC1=CC=CC=C1)CC(=O)NC(=O)NC2CCCCC2 1 2.601 3 2 -7.19413334457455 16308810 CC1CCCC(N1C(=O)COC(=O)C2=CNC3=CC=CC=C32)C 1 2.916 2 3 -8.83617396606776 16308809 CC1CC(CN(C1)C(=O)COC(=O)C2=CNC3=CC=CC=C32)C 1 2.8 2 3 -9.81573543326652 16308797 CCOC1=C(C=C(C(=C1)CN2C(=O)C3(CCCCCC3)NC2=O)Br)OCC 1 4.426 2 4 -5.2313665886471 16308796 CC1=C(C=C(C=C1)NC(=O)CNC2=CC=CC=C2N3CCCC3=O)S(=O)(=O)N4CCCCC4 1 2.377 4 4 0 -26.1198101501441 16308731 CCN1CCN(CC1)C(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N 1 0.449 4 5 0 -25.3756418513477 16308727 C1=CC=C(C=C1)C2=CC=C(C=C2)COC3=C(N=CC=C3)[N+](=O)[O-] 1 4.198 2 3 1.5868810375913 16308723 CN(CC1=CC=CC=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl 1 3.082 3 3 -19.2234747238819 16308721 C1CN(CCN1CC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)C4=CC=C(C=C4)F 1 3.227 2 4 -11.5711360692291 16308717 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C3CC3)C4CC4 1 2.852 4 2 -17.0003126362274 16308712 CN(C)C(CNC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3OC 1 4.012 2 4 -11.597027281399 16308710 C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(=O)NCCC3=C(C=C(C=C3)Cl)Cl 1 4.033 4 1 -7.43270140086251 16308701 CN(CC1=CC(=C(C=C1)OC(F)F)OC)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.992 2 5 0 -16.5301187659464 16308698 CC(C(=O)NC1=CC=CC=C1OC)N2C(=O)C3CCCCC3C2=O 1 1.983 2 4 0 -15.3566220192794 16308681 C1CN(CCN1C(=O)CCC(=O)NCC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.777 3 4 0 -25.644847450462 16308660 CC(C1=CC=CC=N1)NC(=O)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.635 3 3 -7.56757550771063 16308596 CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)F 1 2.266 2 3 -7.56993615391508 16308632 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC 1 3.33 3 5 0 -18.0575882975033 16308606 CC1=CC(=NN1CCCNC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3)C 1 1.105 4 2 0 -24.6839529816626 16308525 COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.57 2 5 0 -31.0888374790883 16308505 COC1=CC=C(C=C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC=N4 1 4.263 3 4 0 -14.0448467838737 16308478 CNC(=O)NC(=O)C(C1=CC=CC=C1)N(C)CC2COC3=CC=CC=C3O2 1 2.341 3 4 0 -7.86084411919986 16308471 C1CCC(C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.284 2 3 -20.7467510778692 16308448 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)NC(C)C2=CC=CC=C2Br)C 1 2.542 3 4 0 -18.7776580468334 16308444 CC1CCN(CC1)C(C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 3.308 3 3 -24.7991752229375 16308435 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 2.312 4 3 0 -15.0685826319081 16308431 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)CN5CCCC5)C 1 3.452 5 2 0 -15.334714055015 16308426 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CC=C4 1 1.415 4 4 0 -21.2243648203432 16308320 CCC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)F 1 2.141 4 5 0 -20.9335555996323 16308299 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCCOC3=CC(=CC=C3)Br 1 3.718 2 3 -14.353680980304 16308291 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CO4 1 0.81 4 5 0 -20.365014540806 16308283 COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)CN3CCN(CC3)C4=CC=CC=C4O 1 3.44 4 4 0 -8.73570862614639 16308282 CCN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 2.981 3 5 0 -27.1666519877813 16308250 CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NCC3CCCO3)C 1 2.191 5 2 0 -26.7077435383026 16308249 CC1CCCC(C1C)NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)F 1 2.651 3 2 -10.2337350862668 16308247 C1C(OC2=CC=CC=C2O1)CNC(=O)COC(=O)C3=CC=C(C=C3)O 1 1.966 1 6 0 -10.7335027690873 16308243 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3CC4=CC=CC=C4 1 3.229 2 5 0 -20.5942797999194 16308210 CC1=C(C(=CC=C1)C)NC(=O)CN(C)CC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C 1 2.859 4 3 0 -17.6182255687351 16308198 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5 1 3.718 4 4 0 -18.8102379907047 16308197 C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)C5=CC=CC=C5 1 3.592 4 3 0 -16.2611329344887 16308190 CC1=CC(=C(N1CC2=CC=C(C=C2)F)C)C(=O)CN3C(=O)C(=O)N(C3=O)CC4=CC=CC=C4 1 3.548 3 4 0 -10.9966051860366 16308179 CCOC1=CC=C(C=C1)OC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O 1 4.331 1 6 0 -9.4248370582622 16308175 CC1CC2=CC=CC=C2N1CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.922 2 2 -4.11526362952498 16308161 C1=CC=C(C=C1)C(CC(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)C3=CC=CC=C3 1 3.78 2 4 -11.4385271680098 16308110 CCN1C(=NN=N1)SCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C 1 0.847 6 2 0 -29.5534920283861 16308084 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OCC 1 2.67 3 6 0 -20.511432815054 16308077 CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)NC3CCCCC3)C 1 2.646 3 2 -18.3833202984445 16308075 C1COCCN1C(CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F)C4=CC=CS4 1 1.333 3 5 0 -24.7146858329645 16308044 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3 1 2.043 3 5 0 -15.4124366976281 16308043 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3 1 2.323 3 5 0 -21.0418620024487 16308038 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 5.7e-002 5 6 0 -22.9020024473934 16308035 CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NC(=NC4=C3C(=C(S4)C)C)C 1 3.764 3 3 -20.9748850079501 16308033 COC1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4CCCO4 1 3.657 2 5 0 -25.1980155181918 16308031 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 4.212 4 2 -1.19590065296177 16308027 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O 1 1.281 3 5 0 -15.9808528649355 16308025 CCN1C(=O)C(=O)N(C1=O)CC(=O)N2CCC(SC3=CC=CC=C32)C 1 1.321 3 4 0 -9.52128807208354 16308004 CN1C(=NN=C1SCC(=O)NC2CCS(=O)(=O)C2)C3=CC=CO3 1 0.371 4 4 0 -19.5349943037934 16307990 CC1=CC(=C(N1C2CC2)C)C(=O)CN3C(=O)C(NC3=O)(C)C4=CC=C(C=C4)OC 1 2.396 3 4 0 -9.00712254289214 16307942 C1CCN(CC1)C2=NC(=O)C(S2)CC(=O)NC3=CC=CC(=C3)C(=O)NCC4=CC=C(C=C4)F 1 3.446 4 3 0 -16.7170551136403 16307926 CC(C)NC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCC3 1 1.927 4 3 0 -21.8663865092428 16307923 CC(C)NC(=O)C1=CC(=CC=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCCC3 1 2.383 4 3 0 -22.2483017755469 16307922 CC(C(=O)NC1CCCC1)SC2=NC=C(C=C2)S(=O)(=O)N(C)C 1 1.823 3 3 0 -14.3320641188645 16307921 COC1=CC(=CC(=C1)OC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)OC 1 2.697 2 6 0 -6.85904845705519 16307920 CCC(=O)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43 1 3.136 2 5 0 -9.05793548407612 16307917 CC(C)(C)C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 3.031 2 5 0 -19.7716610274317 16307909 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC=C(C=C3)C(F)(F)F 1 2.022 3 4 0 -17.849219834083 16307893 CC1=CC(=C(C=C1)O)C(=O)C2=CN=C(N=C2)/N=C(\N)/N(C)C 1 0.951 5 2 0 1.29553107114507 16307876 CC(C(=O)NC1=CC=CC(=C1)C#N)N(C)CCOC2=CC=CC=C2 1 2.951 3 2 -7.69629572821619 16307854 CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=CC=C3Cl 1 3.485 2 3 -8.27509644681442 16307848 CC1=CC=C(C=C1)CNC(=O)C2CC(=O)N(C2)C3CCCC3 1 2.204 2 2 -15.4639630068593 16307837 CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=CC=C3OC 1 2.804 2 4 -11.7364325171608 16307836 CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=CC=C3 1 2.821 2 3 -8.43241485661391 16307782 CC1=C(N=C(C(=C1C)C#N)SC(C)C(=O)NC2CCCC2)C 1 3.84 3 1 -12.5183926610783 16307769 CN(C)C1=CC=C(C=C1)CN(C)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.4 4 2 -14.4179310320309 16307766 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C 1 1.19 3 4 0 -17.4815689725955 16307765 CN(CC1COC2=CC=CC=C2O1)C(=O)CSC3=NC=NC4=C3C=CS4 1 2.921 3 3 -13.48659660783 16307687 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NCCC3=CNC4=CC=CC=C43 1 2.55 4 3 0 -15.1712810996421 16307686 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43 1 2.289 4 4 0 -28.3477486483541 16307678 C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.955 3 4 0 -20.3606392635396 16307673 C1CCC2(C1)C(=O)N(C(=O)N2)CCCC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 1.192 4 6 0 -23.3180441924559 16307672 C1CCC2(C1)C(=O)N(C(=O)N2)CCCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 0.527 4 6 0 -25.1698403162942 16307666 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4(CCCC4)NC3=O 1 0.699 4 6 0 -23.2676113174854 16307658 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F 1 3.196 3 4 0 -15.1780166520126 16307657 CCOC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3)S(=O)(=O)N4CCCCC4 1 2.796 3 5 0 -26.7912489040121 16307655 CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N(C)C 1 2.396 5 3 0 -16.523424742656 16307632 CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)NCC3CCCO3 1 2.191 5 2 0 -28.0981903705179 16307628 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.861 3 5 0 -11.9720107909601 16307587 C1CC(OC1)CNC(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4 1 2.27 4 2 -23.707242813508 16307570 CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NCC3=CC=C(C=C3)OC 1 3.414 3 4 0 -24.3860515679983 16307545 CCS(=O)(=O)C1=CC=CC=C1C(=O)NC2CCCC3=CC=CC=C23 1 3.512 1 3 -15.0903845783246 16307541 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3Br)OCCO4 1 3.508 2 4 -12.2830130946944 16307493 COC1=C(C=CC(=C1)C(=O)OC)OCC(CN2CCN(CC2)C(=O)C3=CC=CO3)O 1 1.556 2 7 0 -15.9868467591082 16307489 C1CC(C2=CC=CC=C2C1)NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl 1 3.609 2 2 -13.1029539319717 16307469 CCN(C1CCCCC1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 1.372 5 3 0 -20.5551837076057 16307463 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3C 1 0.607 3 5 0 -24.8078142982283 16307429 CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3CC(=O)N(C3)C4=CC=CC5=CC=CC=C54 1 2.288 4 3 0 -11.9114619737487 16307352 CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC=CC=C3Br 1 4.337 2 1 -1.0165214742616 16307324 CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4)C 1 2.918 4 3 0 -12.4199687619244 16307323 CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4 1 2.431 4 3 0 -13.3395185344184 16307303 CC(=O)C1=CC(=CC=C1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.412 2 5 0 -9.11896542338162 16307302 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4 1 2.419 3 5 0 -17.9663616464708 16307287 CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4 1 3.51 4 3 0 -13.5685389525164 16307278 CCOC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3(CCCC3)NC2=O)S(=O)(=O)N4CCCCC4 1 1.52 4 6 0 -20.9830568170944 16307261 COC1=CC=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3 1 4.081 2 4 -19.9022391773167 16307218 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CC(=O)NC4=CC=CC=C43 1 1.953 4 4 0 -22.9606761765467 16307215 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NC=NC3=C2C=CS3 1 2.216 3 3 -21.6807856058393 16307206 CC1=CC=C(C=C1)OCCNC(=O)CCNC(=O)C2=CC=C(C=C2)Cl 1 3.128 2 3 -13.3375810111254 16307205 CC1=C(C(=CC=C1)C)OCC(=O)NCC2COC3=CC=CC=C3O2 1 3.308 1 4 -11.2853583487734 16307177 CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 4.65 5 1 -1.97395471073691 16307173 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)CN5CCOCC5)C 1 2.678 5 3 0 -18.0877887800952 16307169 CCC(=O)C1=CC=C(C=C1)OCC(=O)NCC2COC3=CC=CC=C3O2 1 2.743 1 5 -13.0816869437202 16307135 COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)OC 1 3.228 2 5 0 -20.3462620484095 16307111 CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=NN2C3CC3 1 3.198 5 1 -28.4000881393961 16307110 COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)CC5=CC=CC=C5)OC 1 3.143 6 3 0 -6.64587691518234 16307107 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CNC(=O)C3=CC=C(O3)Br 1 3.047 3 3 -6.4544496454105 16307085 COC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl)OCC(=O)N3CCOCC3 1 1.725 2 7 0 -22.3087018923713 16307075 CC1CC(CN(C1)C(=O)CSC2=NC=NC3=C2C=CS3)C 1 3.014 3 1 -15.3231868165897 16307074 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC=NC3=C2C=CS3 1 2.158 3 3 -23.5878288944575 16307073 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC=NC3=C2C=CS3 1 0.966 3 3 0 -22.6584275063327 16307063 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CC=C(C=C3)Cl 1 2.693 3 4 0 -20.2653491872378 16307060 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=CC=C3OC)C 1 2.579 3 5 0 -30.3974821420402 16307059 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=CC=C3OC 1 2.192 3 5 0 -31.4260374374467 16307056 CCN(CC)C(=O)C(C1=CC=CC=C1)OC2=C(N=C(C=C2)C)[N+](=O)[O-] 1 3.061 3 4 0 -13.1339989081701 16307048 CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)N(C)C3=CC=CC=C3)N=C1C 1 2.557 3 3 -10.1724641344562 16307044 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3)C 1 1.492 2 3 0 -20.5681178818939 16307016 CC(C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)F)F)SC3=NN=NN3C 1 2.699 6 1 0 -8.65325973182265 16307002 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CCCSC3=CC=C(C=C3)Cl 1 2.804 2 5 0 -16.0515568461065 16306989 C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 2.042 3 5 0 -20.556787613632 16306985 CC1=C(C=C(C=C1)C(=O)NC2CCCC3=CC=CC=C23)[N+](=O)[O-] 1 4.017 2 3 -9.47446545199429 16306978 CCC1=CC=CC(=C1NC(=O)C2CC(=O)N(C2)C3CCCC3)C 1 3.14 2 2 -11.4257064829199 16306975 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)OCC3=CC(=CC=C3)F 1 2.789 2 4 -4.8441839362005 16306962 CCCC1(C(=O)N(C(=O)N1)CC(=O)N2CC(=O)NC3=CC=CC=C32)C4=CC=CC=C4 1 1.704 4 4 0 -12.6387685235329 16306954 CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CNC3=O)[N+](=O)[O-])C)C(C)(C)C 1 1.749 4 6 0 -14.8304243844611 16306932 CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=CC=C3OC)C 1 2.695 3 5 0 -24.7071818138896 16306929 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)OCC3=CC=CC=C3Cl 1 3.247 2 4 -6.05209250062266 16306928 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)OCC3=CC=C(C=C3)Br 1 3.331 2 4 -6.01451162145908 16306901 C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N 1 2.08 6 3 0 -12.7125641448607 16306897 CCOC1=C(C=C(C(=C1)COC2=C(N=C(C=C2)C)[N+](=O)[O-])Br)OCC 1 4.375 2 5 0 -5.53339491337276 16306888 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2CCSC3=CC=CC=C23 1 2.743 1 4 -10.1584134526042 16306881 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCN4C(=O)C5(CCCC5)NC4=O 1 3.897 4 3 0 -0.600237694383885 16306853 COC(=O)C1=CC=C(C=C1)COC2=C(N=CC=C2)[N+](=O)[O-] 1 2.535 2 5 0 -5.3999811962249 16306830 CCC1=NOC(=C1C(=O)OCC(=O)NC(C)C2=CC=CC=C2)C 1 2.255 2 4 -21.3526354957869 16306822 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC(=CC=C2)Cl)C3=CC=CC=C3 1 2.383 3 3 -9.74196358903174 16306800 CCN(C1CCCCC1)C(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC(=C(C=C4)C)C 1 4.756 3 3 -7.38189047456533 16306782 C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=C(C=C4)F 1 4.149 3 3 -6.7320765143639 16306739 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-] 1 2.511 4 6 0 -16.7724822952646 16306737 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC(=CC=C3)OC)N(C)C)[N+](=O)[O-] 1 2.341 5 5 0 -14.9504109118569 16306720 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)S(=O)(=O)C4=C(C=CC(=C4)C(F)(F)F)Cl 1 4.378 2 2 2.68131776331801 16306718 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C 1 3.727 5 2 0 -8.13598282782899 16306685 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 1.439 4 5 0 -21.4022854548355 16306682 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4 1 2.837 3 4 0 -26.3089516198898 16306652 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(C)C(=O)NCC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.725 4 3 0 -15.1419040751338 16306625 CCN(C1CCS(=O)(=O)C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)C 1 1.164 2 5 0 -27.6697604494696 16306603 CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(O2)CN3CCCC3 1 3.078 4 2 -11.813008580211 16306599 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=C(C=C(C=C3)OC)OC 1 2.902 2 5 0 -23.0145758334395 16306593 CC1CCCC(N1C(=O)CN2N=C(N=N2)C3=CC=CC=C3)C 1 2.443 5 1 -6.92400525102758 16306588 CC(C(=O)NC1CCCC1)OC(=O)C2=CN=C(C=C2)Cl 1 2.354 2 3 -13.2547029815648 16306585 CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl 1 3.99 3 3 -7.3552323921849 16306584 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=NC=C3 1 0.933 3 4 0 -19.6346465439278 16306582 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2C)C3=C(OC=C3)C)N 1 1.087 6 4 0 -15.2547618081009 16306576 CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4)C 1 2.88 4 2 -20.7334168787252 16306550 COC1=CC=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.791 2 7 0 -22.2481385217544 16306546 CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C)OC 1 3.619 3 4 0 -13.0604342775556 16306533 CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NC3CCCC4=CC=CC=C34 1 3.366 3 2 -12.8200580105229 16306523 CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NCCSCC2=CC=C(C=C2)Cl)OC 1 2.706 2 4 -11.4228753832226 16306521 COC1=CC(=C(C=C1N2CC(CC2=O)C(=O)NCCC3=CCCCC3)Cl)OC 1 3.268 2 4 -17.5055190995732 16306490 C1COCCN1CCNC(=O)C2CC(=O)N(C2)C3=CC=CC(=C3)C(F)(F)F 1 1.078 3 3 0 -9.92340615124755 16306481 CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=CC=CC=C2N3CCOCC3 1 3.29 3 4 0 -17.7909580362832 16306476 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 2.047 3 5 0 -14.1212963554818 16306449 CC1=NC2=CC=CC=C2C(=N1)SC(C)C(=O)NC3CCCC3 1 3.37 3 1 -9.3886174647174 16306440 CCCCNC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCC3 1 2.529 4 3 0 -19.4143380132904 16306432 CC(CCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2Cl 1 4.143 1 2 -8.98054316039714 16306418 CC(C1=CC=C(C=C1)F)NC(=O)CSC2=NC3=CC=CC=C3N2CCOC 1 3.73 3 2 -18.7170612707654 16306364 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC(=S)N3CCCC3 1 2.879 4 2 -19.1949111406258 16306360 CC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC)OC 1 0.961 2 8 0 -28.5898803257671 16306354 CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3C=NC4=C3C(=O)N(C(=O)N4C)C 1 0.788 5 5 0 -20.6788914256786 16306352 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCSC(C2)C(=O)OC 1 1.189 1 6 0 -15.2829767355829 16306343 C1CCN(C1)C(CNC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)C3=CC=CO3 1 2.51 3 3 -20.1187795042724 16306326 CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCCC3=CC=CS3)Br 1 2.77 3 3 -24.116726571372 16306325 C1CN(CCN1CC(=O)NCCC2=CC=CS2)S(=O)(=O)C3=CC(=CC=C3)Br 1 2.284 3 3 -24.2736952498443 16306323 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.307 4 6 0 -27.7102385169629 16306287 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC3=CC=C(C=C3)Cl 1 2.807 3 4 0 -26.2441536908752 16306273 CC(C)C(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=C(C=CC=C3F)F 1 2.224 3 5 0 -34.6369941313611 16306251 CCC1=CC=C(C=C1)S(=O)(=O)N2C3CCN(CC3C4=C2C=CC(=C4)C)C 1 3.713 2 2 -2.39997502352861 16306230 CCCCC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)O 1 3.067 2 5 0 -17.9263563750926 16306227 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=CN2C 1 0.448 4 3 0 -29.6389681189969 16306219 CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C 1 2.421 2 6 0 -21.2667363940584 16306201 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)CCNC(=O)C2=CC=C(C=C2)Cl 1 2.517 3 3 -16.463947650709 16306185 CC1CCCCC1NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-] 1 0.861 3 4 0 -14.7972571491178 16306169 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=C(C=CC(=C3)OC)OC 1 3.137 2 5 0 -20.9108904061974 16306166 COC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3 1 1.834 4 7 0 -27.4572635507827 16306162 CC(C1=CC(=C(C=C1)F)F)NC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 3.782 3 1 -2.14805185387839 16306161 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)NC(C)C3=CC(=C(C=C3)F)F 1 3.909 3 2 -5.46844665393392 16306160 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC(C)C3=CC(=C(C=C3)F)F)C 1 4.549 3 1 1.13728864531197 16306134 C1CSC2=CC=CC=C2C1NS(=O)(=O)C3=CC=CC=C3 1 2.776 1 2 -9.1977931724134 16306131 CC(C(=O)NCC(C1=CC=CO1)N2CCCC2)OC3=CC=C(C=C3)C(C)(C)C 1 4.258 2 3 -11.5632537344539 16306127 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)OCC3=CC=CC=C3OC 1 2.567 2 5 0 -8.57212832344705 16306124 CCOC1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)C3(CCCCC3C)NC2=O 1 2.588 2 6 0 -12.384303961068 16306122 CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4 1 3.158 4 4 0 -10.0419554038674 16306115 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=CC=C3OC 1 2.259 3 5 0 -29.0402797468919 16306085 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 0.621 4 7 0 -29.6684212384126 16306084 COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4 1 3.2 3 3 -6.32480214866725 16306013 COC1=CC=CC(=C1)CNC(=O)C2=CC(=CC=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCCC4 1 3.224 4 4 0 -18.4142645282562 16306009 CC1=NC(=C(C=C1)OCC(=O)N(C)CC(=O)NC2=CC=CC=C2Cl)[N+](=O)[O-] 1 1.945 4 5 0 -13.7408420637343 16306002 CC1CCCC(C1C)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-] 1 1.113 3 4 0 -12.6701188673366 16305993 C1CN(CCN1CC(=O)NC2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 1.837 3 2 0 -8.30331508059142 16305983 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4 1 2.616 3 4 0 -23.9650314176512 16305958 CC1=CC(=NO1)NC(=O)C(C)OC2=CC=C(C=C2)C(C)(C)C 1 3.473 2 3 -12.4674305802857 16305897 C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 1.781 3 5 0 -24.1076788703607 16305869 CC1=CC(=CC=C1)OC(C)C(=O)NC2=NC(=CS2)C3=CC=NC=C3 1 3.213 3 2 -0.710777245491588 16305868 CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4CC=CCC4C3=O)C 1 2.108 3 5 0 -19.658246731105 16305825 CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NC(=CC(=N3)N)N 1 1.669 6 2 0 -9.53000357127467 16305823 CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NN=CN3C 1 2.683 5 1 -14.2515627329522 16305817 CCC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC(C)CCC3=CC=CC=C3 1 4.394 3 3 -14.4647403412966 16305814 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N 1 1.314 5 5 0 -24.5179723931581 16305810 CSC1=CC=C(C=C1)C(=O)NC2CCSC3=CC=CC=C23 1 3.614 1 1 -6.14243252611253 16305778 CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)C)OC)S(=O)(=O)N3CCCCCC3 1 3.15 2 6 0 -23.8483994973558 16305762 CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC2CCCCC2)C 1 3.528 3 3 -16.5684742321087 16305744 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NN3C(=CC(=NC3=N2)C)C)S(=O)(=O)N(C)C 1 1.002 6 5 0 -22.8901117979344 16305727 CN(C1CCCCC1)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-] 1 0.748 3 4 0 -10.0944298763033 16305627 CCC1=NOC(=C1C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)C 1 2.123 2 6 0 -20.3090487098678 16305639 CC1CCCC(C1C)NC(=O)COC(=O)C2=NN3C(=CC=NC3=N2)C 1 1.969 5 3 0 -19.1726727357625 16305642 COC1=CC=CC=C1CNC(=O)COC(=O)CC2CC3CCC2C3 1 2.695 1 4 -9.05224173620136 16305646 CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3 1 1.107 4 7 0 -28.2509307292204 16305606 CCN(CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3CCCO3 1 2.553 4 3 0 -27.6866858273269 16305603 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NCCC3=CC=CC=C3F 1 2.797 3 5 0 -19.6898719513949 16305590 CC(C1=CC=CC=C1)N(C)CC(=O)NC(=O)NCCC2=CCCCC2 1 3.448 3 2 -10.1216297192036 16305589 CC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4)C5=CC=CC=C5 1 3.368 4 3 0 1.10619209104782 16305577 CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC 1 3.542 2 5 0 -15.0702054862007 16305571 CCOC1=C(C=CC(=C1)C#N)OCC(=O)NNC(=O)CC2CCS(=O)(=O)C2 1 0.196 3 6 0 -23.8661445560162 16305551 CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)NCC3CCCO3 1 3.09 3 4 0 -17.9820875488568 16305549 CC1CC(CN(C1)C(=O)C(C)N(C)CC(=O)NC2=CC=C(C=C2)C)C 1 2.748 3 2 -11.2083738684594 16305548 CC(CNC(=O)COC(=O)C1=C(N=CC=C1)Cl)C2=CC=CC=C2 1 2.692 2 3 -12.393060198459 16305545 C1CN(CCC1C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F)C(=O)/C=C/C4=CC=CC=C4 1 2.397 4 3 0 -9.09660810825942 16305543 CC1=NN(C(=C1C(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3)Cl)CC4=CC=CC=C4 1 3.435 4 3 0 -18.9371989412765 16305509 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)N(C)CC3=CN=CC=C3 1 1.28 3 3 0 -13.6044289406315 16305507 CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3Cl)S(=O)(=O)N4CCOCC4 1 1.841 3 5 0 -17.1309017734446 16305491 CC(C(=O)N1CCCC1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C 1 2.515 3 3 -22.0570939053439 16305490 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2CC(=O)N(C2)C3CCCC3 1 1.593 3 3 0 -17.0902757727885 16305467 COC1=CC=C(C=C1)OCC2=NN=C3N2N=C(C(S3)CC(=O)O)C4=CC=CC=C4 1 3.404 4 4 0 -10.6525016807536 16305465 C1=CC=C(C=C1)C2=NN3C(=NN=C3SC2CC(=O)O)COC4=CC=C(C=C4)Cl 1 4.085 4 3 0 -8.27226020982311 16305458 CC1(CCS(=O)(=O)C1)NC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 -0.443 2 4 0 -12.4192758472135 16305412 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N 1 2.853 6 3 0 -9.52598557128856 16305410 CC(C(=O)NC)SC1=NC=C(C=C1)S(=O)(=O)N2CCOCC2 1 0.109 3 4 0 -23.187340056179 16305400 COC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N 1 1.736 6 4 0 -10.6519030890734 16305399 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N 1 1.759 6 3 0 -12.9232354492915 16305381 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CC1CCCCC1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 3.099 3 4 0 -22.7528038767164 16304608 CCCCCC(C)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3 1 3.54 3 4 0 -25.282665855579 16304600 C1CCC2(C1)C(=O)N(C(=O)N2)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 0.206 4 6 0 -24.5435711055068 16304596 CC(C1=CC=C(C=C1)F)NC(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCC4 1 3.367 4 3 0 -16.8057588067917 16304590 COC1=CC(=C(C=C1C(=O)NC2CCCC3=CC=CC=C23)OC)OC 1 3.588 1 4 -10.3748540627534 16304563 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3 1 1.664 6 4 0 -19.5754572818049 16304559 CC1=CC=CC=C1OCC(=O)OC(C)C(=O)NC2CCCC2 1 2.953 1 4 -11.3405358764961 16304554 C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)NC3=CC(=CC=C3)F 1 2.576 1 4 -4.78209142462471 16304546 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl 1 1.286 4 7 0 -27.8166251145743 16304544 C1C(OC2=CC=CC=C2O1)CNC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.703 3 6 0 -18.5490770834248 16304543 C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.331 4 5 0 -13.8655219247859 16304541 CC(C(=O)NC1=NC(=CS1)C2=CC=NC=C2)OC3=CC=CC=C3 1 2.727 3 2 -1.59355083011009 16304539 CCCCC1=NN=C(S1)NC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 1.633 4 3 0 -16.6891863904475 16304532 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)S(=O)(=O)C4=C(C=CC(=C4)C)OC 1 3.241 2 3 -2.59471138341229 16304502 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.968 4 6 0 -18.2498050594975 16304484 CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=NN=NN2C3=CC=C(C=C3)O 1 3.24 5 2 0 -14.6662441097359 16304479 C=CCNC(=O)C1=NN(C(=O)CC1)C2=C(C(=CC(=C2F)F)F)F 1 1.95 3 2 0 -18.0629035918226 16304473 CN(C1CCCC2=CC=CC=C12)C(=O)CN3CCN(CC3)C4=CC=CC=C4F 1 4.02 3 1 0.6371461221679 16304463 CC1CCCC(C1C)NC(=O)CSC2=NN=CS2 1 2.334 3 1 -16.8761776814971 16304462 CC1CCC(CC1)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32 1 2.005 3 4 0 -21.0826488719842 16304458 CC1CC(CN(C1)C(=O)COC(=O)C2=NN3C(=CC=NC3=N2)C)C 1 1.301 5 3 0 -18.8599305697849 16304447 CC(C#N)SC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2 1 2.009 3 2 -16.2746861123215 16304400 CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CCC2=CC=CC=C2)F 1 2.758 1 4 -10.2462524892853 16304391 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)C(=O)N(C)C)C 1 3.53 3 5 0 -17.1430996466583 16304351 COC1=CC=CC=C1N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3 1 3.894 2 5 0 -18.4002339476093 16304349 CC1=C(C=C(C=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)NC 1 2.305 3 4 0 -20.2541795891528 16304346 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCOC3=CC=CC=C3)OC 1 1.878 2 6 0 -26.0254024829287 16304339 C1CC(C2=CC=CC=C2C1)NC(=O)CC3=CC=C(C=C3)Br 1 4.42 1 1 -6.77090331696238 16304334 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl 1 2.748 3 5 0 -24.3574051373155 16304329 CC1CC(C(=O)O1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.58 1 6 0 -16.7728364930166 16304325 CC(=O)C1=CC(=C(C=C1)OC)CS(=O)(=O)CC(=O)NCCC2=CNC3=CC=CC=C32 1 2.344 2 5 0 -16.7558257355946 16304324 CC(C1=C(C=C(C=C1)F)F)NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.792 2 2 -11.3362614365136 16304305 CC1CCCCC1NC(=O)CSC2=NC(=C(C(=C2C#N)C)C)C 1 4.131 3 1 -19.562577943314 16304303 CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2CCS(=O)(=O)C2)C 1 1.461 3 3 0 -22.6225081031818 16304277 C1CCC2(C1)C(=O)N(C(=O)N2)CCCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 0.936 4 5 0 -24.739033073585 16304249 CC1=CC=C(O1)CN(C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.711 2 6 0 -20.4599808173925 16304241 C1CN(CCC1C(=O)OC2=CC=C(C=C2)Br)C3=NS(=O)(=O)C4=CC=CC=C43 1 3.478 2 4 -4.3994007368122 16304239 C1COCCN1C2=NC(=O)C(S2)CC(=O)NC3=CC=CC=C3Cl 1 1.883 3 3 0 -11.9914270111102 16304235 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CC4=CC=CC=C4Cl 1 1.968 3 5 0 -19.9410726802591 16304228 C1CN(CCN1C(=O)CCNC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3F 1 1.249 4 4 0 -25.290182118902 16304226 CC(C1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-] 1 2.568 4 4 0 -15.5207196435422 16304210 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC(=O)NC4=CC=C(C=C4)F 1 1.621 4 4 0 -20.5222407596307 16304189 CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC(=O)N4CCOCC4)Cl 1 2.736 4 3 0 -15.4575511508307 16304183 CC(C1=CC=CC=C1Cl)NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 3.114 3 3 -12.3578152533089 16304171 CC(=O)C1=C(N=C(S1)NC(=O)CC(C2=CC=CC=C2)NC(=O)C)C3=CC=CC=C3 1 2.845 3 3 -10.6433335031351 16304168 CN(C1=CC=CC=C1)C(=O)COC(=O)CNC(=O)C2CCCCC2 1 2.049 2 4 -11.8278291609581 16304163 CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCNC(=O)C3=CC=CO3 1 1.514 4 5 0 -28.0885600562848 16304160 CC(C(=O)NC1=CC=CC=C1OC)SC2=NN=C3N2C=CC=C3 1 2.792 4 2 -16.5257037245444 16304153 CCN(CC)C(=O)C(C1=CC=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-] 1 2.968 3 6 0 -24.9004887801055 16304150 CC1=CC(=C(C=C1)CN(C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C 1 3.107 3 6 0 -21.3015977300861 16304145 COC(=O)C1=CC(=CC=C1)NC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 1.174 2 5 0 -13.2179461702755 16304144 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=O)NC4=CC=CC=C43)C 1 2.669 3 4 0 -19.4007947304549 16304140 CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=O)NC4=CC=CC=C43 1 2.216 5 4 0 -12.6721735885784 16304119 CCC1=CC=C(C=C1)CCC(=O)OCC2=C(C(NC(=O)N2)C)C(=O)OCC 1 2.767 2 5 0 -20.7191891612122 16304101 CC(C1=CC(=CC=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 3.039 2 3 -13.9104978640027 16304099 CC(C)C(C(=O)NCC1=CC=CC=C1OC)NC(=O)NC2=CC=CC=C2 1 2.9 3 3 -19.0184757704688 16304086 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)S(=O)(=O)C4=CC=CC=C4F 1 2.976 2 2 -2.4293046447423 16304084 CC(=O)C1=C(N=C(S1)NC(=O)CC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3 1 3.575 2 5 0 -8.32117686105972 16304067 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)/C=C/C3=CC(=CC=C3)Cl 1 2.665 3 5 0 -11.1241862550952 16304058 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N(C)CC2=C(C=CC=C2Cl)F 1 2.975 2 4 -20.4347440119985 16304023 CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=CC=C3)N4C=NN=N4 1 1.571 6 3 0 -20.0982931496873 16304016 CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F 1 3.515 6 3 0 -7.35632990097191 16304007 CC1=CC(=C(C=C1)C(=O)COC(=O)C2=NN3C(=CC=NC3=N2)C)C 1 2.708 4 3 0 -11.6066529523035 16303967 CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5 1 3.728 6 2 0 -7.54965773410268 16303960 C1CC(CN(C1)CC2=C(C3=CC=CC=C3C(=C2)Cl)O)C(F)(F)F 1 4.622 1 1 6.60496360116251 16303955 CC(C(=O)NC1=CC=CC=C1OC)SC2=NC=CN2C 1 2.11 3 2 -9.9807084167249 16303954 CC(C#N)SC1=NN=C(N1C2CC2)C3=CC=CC=C3F 1 3.318 4 0 -6.27578954774819 16303950 CC1CCCCC1NC(=O)COC(=O)COC2=CC=C(C=C2)OC 1 2.741 1 5 -15.4346933094442 16303937 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCC4 1 3.754 3 4 0 -27.9718897959936 16303936 COC1=C(C=C(C=C1)C(=O)NC2CCN(C2)CC3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 1.458 3 5 0 -17.756695479655 16303927 C1CCN(C1)C(CNC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)F)C5=CC=CO5 1 3.026 4 3 0 -17.4185027006522 16303892 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC 1 -0.215 6 5 0 -26.2711387360691 16303851 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)NCC(C3=CC=CO3)N4CCCC4 1 1.735 4 5 0 -32.6514560629013 16303849 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4F 1 3.171 3 2 -4.17750718716084 16303847 CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CC(OC3=CC=CC=C32)C(=O)N 1 1.624 2 5 0 -10.7848054687253 16303843 CC(C(=O)NC1=CC=C(C=C1)F)OC2=C(N=CC=C2)[N+](=O)[O-] 1 2.422 3 4 0 -10.1958276992442 16303817 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CCN(CC2)CCOC3=CC=C(C=C3)OC 1 2.148 4 4 0 -4.18314023916218 16303813 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 3.486 4 4 0 -8.71765682938913 16303812 CC(C1=CC=CC=C1OC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-] 1 2.551 4 5 0 -18.2135241211138 16303811 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=C(C=C3)OCC=C)[N+](=O)[O-] 1 3.144 4 5 0 -18.2690378083598 16303810 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=C(C=C3)OC)N(C)C)[N+](=O)[O-] 1 2.341 5 5 0 -14.3583275898738 16303809 CCOC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-])OCC 1 3.013 4 6 0 -18.947030372813 16303777 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C 1 3.726 3 4 0 -19.3148984468343 16303723 C1COCCN1C2=NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)Cl 1 1.883 3 3 0 -10.1700925919495 16303751 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4 1 1.918 6 4 0 -15.8540912831641 16303740 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C3N2C=CC=C3 1 1.711 4 3 0 -25.0146767034048 16303731 COC1=CC(=C(C=C1)OC)C(=O)NC2CCSC3=CC=CC=C23 1 3.04 1 3 -10.8892193571868 16303725 COC1=CC(=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N3CCOCC3)OC 1 1.186 3 5 0 -16.5607695867174 16303703 CC1CCCC(C1C)NC(=O)CSC2=NC=CC=N2 1 2.603 3 1 -13.0826904343274 16303701 CC1=CC=NC2=NC(=NN12)C(=O)OC(C)C(=O)C3=CC=C(C=C3)OC 1 2.203 4 4 0 -12.0987162413227 16303700 CC1=CC=NC2=NC(=NN12)C(=O)OC(C)C(=O)NCC3=CC=CC=C3 1 1.607 5 3 0 -17.3782218341112 16303695 CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)OCC4=C(ON=C4C)C 1 3.221 4 4 0 -17.4882860065085 16303693 CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 2.855 3 3 -14.0486403771645 16303691 CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)N4CCN(CC4)CC5=CC=C(S5)Br 1 3.757 5 1 -4.78293824162995 16303687 CC(C(=O)NC1=CC=C(C=C1)Br)N(C)CC(=O)NCC2=CC=CO2 1 2.014 3 3 -15.0741021640741 16303686 CC(C(=O)NC1=CC(=CC(=C1)OC)OC)N2CCN(CC2)C(=O)C3CC3 1 1.382 3 4 0 -20.0521872266182 16303679 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3CN4CCCC4 1 3.849 3 3 -15.819350999843 16303675 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC(C4=CC=CO4)N5CCCC5 1 3.684 3 4 0 -23.3736995901192 16303662 CC(C(=O)C1=CC=C(C=C1)F)SC2=NN=C(N2C3CC3)C4CC4 1 3.937 3 1 -8.47455757796376 16303659 C1CCN(C1)C(CNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CO5 1 4.718 4 2 -15.1108478973362 16303656 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC(C3=CC=CO3)N4CCCC4 1 3.358 3 5 0 -16.3327563317437 16303648 CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N(C)CC3=CC(=C(C=C3)OC)F 1 2.727 4 4 0 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CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4 1 2.947 3 4 0 -8.64466786144164 16298245 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F 1 3.464 3 3 -10.9307886738329 16298233 CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)NC3=CC=CC(=C3)C(=O)NC 1 3.212 2 3 -9.49949976742232 16298225 CC1=C(N=CC=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC4=CC=CC=C43 1 3.697 3 4 0 -19.8986628587437 16298210 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNC3=CC=CC=C3N4CCCC4=O 1 1.147 4 5 0 -30.5528552829612 16298180 COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 2.135 4 6 0 -25.1202833908215 16298176 CCCN1C(=NN=C1SCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N)C4=CC=NC=C4 1 0.971 7 3 0 -14.2640157354832 16298160 CC1=CC(=C(C=C1)C)N2C=CN=C2SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4 1 3.403 5 3 0 -16.2455137526649 16298155 CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)C2=C(ON=C2C)C 1 2.179 2 6 0 -14.3211602486304 16298154 CC1=C(C(=NO1)C)C(=O)OC(C)C(=O)N2CCC3=CC=CC=C32 1 1.968 2 4 0 -18.032274934882 16298142 CC(C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)NC(=O)C3=CC=CC=C3 1 1.443 3 6 0 -28.8712879530683 16298085 CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2CN3CCCC3)S(=O)(=O)N4CCOCC4 1 2.447 3 4 0 -21.5223387880253 16298090 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2C3CC3)CC4=CC=CS4)N 1 1.443 6 3 0 -22.7219624700732 16298101 CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)C 1 1.613 7 3 0 -22.9624043505704 16298121 CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC3=C(CCCC3)C=C2 1 4.183 1 3 -13.3686006336391 16298114 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)CC2CC3CCC2C3 1 2.191 2 4 -8.77711791857972 16298050 CC(C)CC1C(=O)N(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.183 3 5 0 -16.6621989944923 16298017 CC(C1=CC=CS1)NC(=O)CNC(=O)C2=CC=CC=C2Br 1 2.654 2 2 -12.5204235427582 16298014 CC1=C(C=CO1)C2=NN=C(O2)SCC(=O)NC3CCCCC3 1 2.38 3 3 -17.9027077089306 16298013 CC1CCCCC1NC(=O)CSC2=NN=C(O2)C3=C(OC=C3)C 1 2.699 3 3 -20.937112216551 16298011 CC(C(=O)NC1CCCC1)SC2=NN=C(O2)C3=CN=CC=C3 1 2.008 4 2 -12.2076098017845 16298004 COC1=CC=CC(=C1)NC(=O)COC(=O)C2CC3CCCC(C2)C3=O 1 2.354 1 5 -6.55831495607659 16298001 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N4CCCCC4 1 3.688 3 4 0 -20.2175789073914 16298000 CC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)N3CCCC3 1 3.275 4 1 -4.16933739337574 16297998 CC(C(=O)NC1=CC(=CC=C1)OC)OC(=O)C2=NNC3=CC=CC=C32 1 2.861 3 4 0 -15.3692184518066 16297997 C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)F 1 3.849 3 3 -8.67733840475985 16297990 COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54)OC 1 3.637 2 5 0 -25.7251084892026 16297989 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC(C3=CC=CO3)N4CCCC4 1 1.326 3 6 0 -30.639976377629 16297950 CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CN3C(=O)C4(CCCCC4C)NC3=O 1 1.422 5 4 0 -14.7498030441136 16297934 C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.96 3 4 0 -22.6729630732991 16297874 COC1=C(C=C(C=C1)C(=O)NC2=NC=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 2.229 3 4 0 -16.7108536545281 16297872 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 1.895 3 4 0 -15.0606720164903 16297864 CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)C)NC(=O)C4=CC=CO4 1 2.774 4 4 0 -17.4966948729193 16297791 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCC3=CC=CC=C3CN4CCCC4 1 3.22 3 3 -19.8324400004964 16297806 CN(C)C(CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC)C4=CC=CO4 1 4.177 3 4 0 -11.4805186276025 16297823 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=NN2C3CCCC3)S(=O)(=O)N4CCOCC4 1 1.553 6 4 0 -41.2090721373103 16297812 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C 1 1.759 3 6 0 -20.413960691399 16297781 C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N 1 2.624 4 3 0 -17.2242212998211 16297767 C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=CC4=NNN=C4C=C3 1 2.143 6 1 0 2.66043718863253 16297765 CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)NC(=O)C3=CC=CO3 1 0.646 4 5 0 -24.1336853744567 16297764 CC(C1=CC=CC=N1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl 1 2.412 3 3 -20.336372639572 16297741 CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl 1 3.325 4 3 0 -15.1183438549453 16297738 COC1=CC=C(C=C1)C(CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)N4CCCC4 1 3.475 3 4 0 -26.7625884658645 16297733 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCC3=CC4=C(C=C3)OCCO4 1 2.971 2 5 0 -22.5662367895321 16297726 COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)F 1 -1.224 4 5 0 -9.24738525006301 16297716 COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)CC5=CC=CC=C5 1 3.159 6 2 0 -7.02381790221724 16297714 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC4=C(C=C3)NC(=O)N4)(C)C 1 1.182 5 4 0 -19.1650008576747 16297708 C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N 1 1.78 4 4 0 -17.7242904221858 16297693 CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)NCC(C4=CC=CO4)N5CCCC5 1 3.307 4 3 0 -18.1303797261174 16297689 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5 1 3.411 4 3 0 -4.43878809632514 16297657 C1CSC2=CC=CC=C2C1NC(=O)C3=C(C=CC=C3Cl)F 1 3.943 1 1 -8.98006921713278 16297622 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3CN4CCCC4 1 3.627 3 4 0 -9.80218163936925 16297607 COC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3(CCCCC3)C#N)C4=CC=C(C=C4)OC 1 2.996 4 5 0 -8.7605759892495 16297577 C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N 1 1.78 4 4 0 -20.7516848903793 16297574 COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4)F 1 2.65 3 5 0 -7.48703349801695 16297559 C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NC=CN3C4=CC=C(C=C4)Cl)N 1 2.088 5 3 0 -6.99187592354586 16297554 CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)C 1 2.113 6 3 0 -12.9327269818983 16297553 CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)C 1 2.113 6 3 0 -15.4413832219352 16297552 CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N 1 1.627 6 3 0 -15.6968354072776 16297509 C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NNC(=N3)N)N 1 -0.712 7 3 0 -10.0797313258981 16297510 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CN(CC(=O)NC1=CC(=CC=C1)F)CC(=O)N(C)CC(=O)NC2=CC=CC=C2Br 1 1.812 4 3 0 -9.14875045519319 16296007 CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N(C)CC2=CC3=C(C=C2)OCO3 1 3.314 2 5 0 -16.4932987134031 16295993 CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC(=C3)N4CCCC4=O 1 3.362 4 3 0 -11.701902015363 16295978 CN(CC1=CC(=CC=C1)OC)C(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 2.547 3 4 0 -7.95003470103227 16295977 C1CCN(C1)C(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F 1 2.564 4 2 -13.2547650153305 16295975 CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC(=O)N4CCCC4)C 1 3.331 4 2 -14.3554060396258 16295974 C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl)C5=CC=CC=C5 1 5.426 5 1 0.701750293067154 16295930 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCCCO4 1 1.994 3 5 0 -8.65251384784574 16295928 CC(C1=CC=C(C=C1)Br)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl 1 3.347 4 2 -7.86974934907903 16295917 CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC3=CC4=C(C=CC(=C4)OC)C=C3 1 2.98 2 4 -11.8754258769108 16295889 CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)OC)Cl 1 3.325 4 3 0 -10.8370301238828 16295876 CCCN(C1CCS(=O)(=O)C1)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3C(C)CC 1 2.546 2 4 -19.775969902451 16295844 C1=CC=C2C=C(C=CC2=C1)SC3=NC=C(C=C3)S(=O)(=O)N 1 2.95 2 2 -1.78538383322029 16295824 CC1CCCN(C1)C(=O)CSC2=NNC(=N2)C3=CC=CS3 1 3.033 4 1 -10.4325372319441 16295797 CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C4=CC=CC=C41 1 3.549 4 4 0 -12.1536625305627 16295755 C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)NCC(F)(F)F 1 0.712 3 5 0 -37.6986364137562 16295743 COC1=CC=CC=C1C2=NN(C=C2C(=O)NCC(C3=CC=CO3)N4CCCC4)C5=CC=CC=C5 1 4.695 4 3 0 -8.15809848627817 16295742 CC1=CC=CC=C1C2=NN(C=C2C(=O)NCC(C3=CC=CO3)N4CCCC4)C5=CC=CC=C5 1 5.198 4 2 -4.45427796177166 16295738 CC(C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)N4CCN(CC4)CC(=O)NC5CC5 1 2.131 5 2 0 -10.5419075964713 16295594 CC(C)C(C(=O)NC1CC(NC(C1)(C)C)(C)C)NC(=O)C2=C(C=CC=C2F)F 1 2.575 3 2 -23.9591598932418 16295584 COC1=NC=C(C=C1)NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 3.547 2 3 -5.10923479072074 16295580 CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.528 3 4 0 -19.0413406588058 16295572 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=NNC(=O)C3=CC=CC=C32)OCC 1 1.695 4 5 0 -22.2699190026284 16295569 CN(C1CCS(=O)(=O)C1)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 -3.4e-002 3 4 0 -20.0818915285012 16295567 CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 3.117 2 5 0 -22.3116301546006 16295556 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCC3=CC=C(C=C3)F 1 3.622 2 4 -21.1187726296695 16295548 COCCNS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 2.177 3 4 0 -10.8308396747349 16295540 CCOCC1=C(OC2=CC=CC=C21)C(=O)N3CCN(CC3)CC4=CC=C(S4)Br 1 3.84 2 3 3.75584530338739 16295538 C1CCC(C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 2.912 3 2 -4.82783635695317 16295536 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=C(C=C(C(=C3)OCC)N4CCOCC4)OCC 1 2.733 3 6 0 -10.7684641780349 16295515 CN(CC1=CC=CC=C1OC)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4 1 1.585 3 6 0 -23.9878453871243 16295512 CC1=CC=CC(=C1)C2=NC(=CS2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4 1 3.155 4 3 0 -8.24288742056314 16295503 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N 1 3.079 5 4 0 -15.2279228014278 16295496 CC(C(=O)NC1=CC=C(C=C1)C#N)N2CCN(CC2)C(=O)C3CC3 1 1.294 4 2 0 -19.3159730536828 16295492 C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F 1 2.225 2 5 0 -14.4006443165976 16295467 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5 1 3.903 5 3 0 6.44830027808531e-002 16295462 CC1=C(OC2=C1C=CC=C2F)C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4 1 1.995 2 4 0 0.762313928858927 16295431 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)N4C=NN=N4 1 1.743 6 3 0 -28.9083484829991 16295421 CC1=CC2=NC(=CN2C=C1)C(=O)N3CCN(CC3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl 1 2.153 6 2 0 -9.39317374669905 16295418 CN(CC1=CC(=CC=C1)F)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4 1 1.807 3 5 0 -20.5475730732433 16295322 CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NN=C(N3C)C4CC4 1 2.472 5 2 0 -11.9047810943677 16295302 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC5=CC=CC=C5O4 1 3.712 4 4 0 -10.9824108294466 16295286 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC3=CC=CC=C3CN4CCCC4 1 1.944 3 5 0 -23.4294098603414 16295281 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2F)S(=O)(=O)N3CCCCCC3 1 3.499 2 4 -12.6956445953402 16295250 CC1=CC(=C(N1C2CC2)C)C(=O)CN3C(=O)C(NC3=O)(C)C4=CC(=C(C=C4)OC)OC 1 2.379 3 5 0 -13.7207513629401 16295227 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=NC(=CS3)C4=CC=CC=N4 1 1.846 4 4 0 -13.2123864684928 16295226 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)OC 1 2.805 1 6 0 -22.9146334094988 16295215 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F 1 2.32 3 5 0 -12.3604057208827 16295201 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC 1 2.183 3 5 0 -16.4615397214449 16295166 COC1=C(C=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)S(=O)(=O)N4CCCC4 1 2.43 2 6 0 -25.5588988494522 16295161 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N(C2CCS(=O)(=O)C2)C3=CC=CC=C3 1 1.155 2 6 0 -21.2220733906022 16295116 CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC(C3=CC=CO3)N4CCCC4 1 3.007 3 2 -13.9734413301471 16295092 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CN2C=C(C=CC2=O)C(F)(F)F)C 1 1.968 2 6 0 -11.471014497146 16295073 CC1=CC(=C(C=C1)C)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC 1 2.768 2 5 0 -24.3563565152524 16295066 C1CC1N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.154 6 4 0 -42.2186989998301 16295030 C=CCN(CC1=CC=C(S1)Cl)C(=O)CNC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.091 3 3 -12.0218240389182 16295021 CC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCC(C3)C(=O)N 1 2.032 3 4 0 -7.17277338112743 16295011 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4 1 1.084 4 5 0 -12.4944401025369 16294999 CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)N 1 3.171 6 3 0 2.21676605598435 16294993 CC(C)C(C(=O)NCC1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2F 1 3.419 2 2 -19.8937317493495 16294991 CC(C1=CN=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 2.336 3 3 -13.9300702328101 16294986 CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCOCC4)Cl 1 3.921 4 3 0 -18.3106806308307 16294962 CC1=CC=C(C=C1)C(=O)NCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 1.922 3 4 0 -26.7184436518101 16294961 C1CC1NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.554 5 3 0 -22.4572458259573 16294949 COC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3)S(=O)(=O)N4CCCCC4 1 2.447 3 5 0 -26.0943723538446 16294946 CC(C)(C)C(=O)NCC1=CC=C(S1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4 1 3.708 5 2 0 -17.2190347523985 16294933 C1CC1NC(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F 1 3.788 4 2 -12.9450943474094 16294842 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC3C4=CC=CC=C4C(=O)O3 1 1.866 2 7 0 -26.5142890401088 16294829 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4 1 2.512 5 6 0 -4.54360092255066 16294735 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N(CCC(=O)N)C4=CC=CC=C4 1 2.69 3 4 0 -22.9711539145663 16294729 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC(=O)N4CCCC4 1 2.829 4 3 0 -15.5740827968116 16294710 CCOC1=C(C=C(C=C1)NC(=O)CC(C2=CC=CC=C2)NC(=O)C)S(=O)(=O)N3CCCC3 1 1.781 3 5 0 -24.6486162642712 16294702 CN1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC(=CC=C3)Cl 1 2.342 3 4 0 -2.76430681524246 16294686 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCC(C3=CC=CC=C3)N(C)C 1 3.023 3 4 0 -12.3757130240937 16294666 CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCCC2=CC=C(C=C2)OC(F)F 1 4.467 2 4 -18.4358254396105 16294641 CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4 1 2.454 2 4 2.71423856126479 16294541 CS(=O)(=O)CC1=CC=C(C=C1)C(=O)N2CCCC2C3=CC=CS3 1 2.696 1 3 -10.9429496640561 16294511 CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)Cl)Br 1 3.254 2 4 -4.03082162866511 16294487 CC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4 1 3.155 4 3 0 -9.65985207387119 16294428 CCCN(CC1=CC=C(C=C1)C)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C(=O)C 1 4.42 2 4 -14.4505273136258 16294389 CC(C)(C)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCN(CC3)C 1 1.455 4 4 0 -18.7301614525944 16294369 C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)CSC3=NN=C(S3)NC4CC4 1 1.042 6 3 0 -18.1221674428965 16294323 CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=C(N2C3CC3)C4CC4 1 3.194 5 1 -14.3888398740417 16294321 CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC(=O)N4CCOCC4 1 1.918 4 4 0 -19.5939895740159 16294313 COCCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC=C(C=C2)N3C=CC=N3 1 2.918 4 3 0 -9.90558946214353 16294296 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N4CCCC4 1 3.358 3 5 0 -16.1877017031151 16294282 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl)OC 1 2.4 3 5 0 -8.83621322301788 16294274 C1CN(CCN1C2=NC=NC3=CC=CC=C32)S(=O)(=O)C4=C(C=CC(=C4)C(F)(F)F)Cl 1 3.66 4 2 -1.45259590921969 16294273 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N(C)C 1 3.812 3 4 0 -18.1258018362296 16294270 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)NCCOC3=CC=C(C=C3)Cl)OC 1 3.767 2 5 0 -17.3249248599282 16294262 CC1=NN(C(=C1C(=O)NCC(C)C2=CC=CC=C2)Cl)C3=CC=CC=C3 1 4.23 3 1 -8.4067001475737 16294260 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 0.909 4 4 0 -17.2251425930115 16294251 COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4)OC 1 4.156 2 4 -7.89453080085927 16294222 C1CCC2(C1)C(=O)N(C(=O)N2)CCC(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4 1 3.41 4 3 0 -1.32619735050786 16294219 CN(C)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)C 1 4.075 2 4 -12.3743322550038 16294180 C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.409 3 3 -15.7328591572695 16294174 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F 1 1.679 4 4 0 -21.2812680693817 16294160 CC1=C(C=C(C=C1)S(=O)(=O)NC2CCCCC2)C(=O)N(C)CC3=C(C(=CC=C3)OC)OC 1 4.05 2 5 0 -13.7377764737663 16294090 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C1CN(CCN1CC(COC2=CC=C(C=C2)Br)O)C(=O)C3=CC=CO3 1 2.466 2 4 -5.9940830777684 16293907 CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br 1 1.979 4 3 0 -13.9448401501715 16293897 CC(C1=CC(=CC=C1)Cl)NCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.743 3 2 -9.5155111065987 16293892 C1CCN(C1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)C4=CC=CO4 1 3.69 3 4 0 -15.634716243433 16293891 C1CCN(C1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)F)C4=CC=CO4 1 3.231 3 4 0 -14.2966353167977 16293875 C1CC(N(C1)CC(=O)NC(=O)NC2=CC=CC=C2F)C3=CC4=C(C=C3)OCCO4 1 2.801 3 4 0 -3.77336088875898 16293847 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 1.128 4 5 0 -4.80555291132019 16293835 CC(=O)C1=CC(=CC=C1)OCC(=O)N(CC2=CC=CO2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 1.593 4 6 0 -12.3003340748811 16293825 C1CN(CCN1C(=O)CCC(=O)NCC(F)(F)F)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.503 3 4 0 -30.7949768290213 16293812 CCOC1=CC2=C(C=C1/C=C/C3=NOC(=C3[N+](=O)[O-])C)OC(C2)C 1 3.506 2 5 0 -3.45998378735864 16293810 CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4)C 1 3.403 5 3 0 -16.1680360821237 16293786 COC1=CC=CC=C1CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.391 3 4 0 -21.166294611715 16293783 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC4=C(C(=C3)Cl)OCCO4 1 1.703 4 5 0 -7.33526571148057 16293748 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=NN=C(O2)C3=CC=C(C=C3)Cl)C4CC4 1 3.586 3 4 0 -11.145181124168 16293737 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=CC=C(C=C3)F)C 1 1.591 3 3 0 -9.57365003801831 16293736 CC(=O)NC(CC(=O)N(CC=C)C1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3 1 3.163 3 4 0 -16.7394863910506 16293731 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CC(NC(C3)(C)C)(C)C 1 2.957 3 3 -21.0617512217227 16293724 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)/C=C/C2=CC3=C(C(=C2)OC)OCCO3 1 2.866 2 5 0 -10.1996641324973 16293693 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CC=C3)N(C)C 1 3.762 3 3 -10.2136366563257 16293678 C1CC1NC(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl 1 3.788 4 2 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CC1CC2=CC=CC=C2N1C(=O)C3=C(C4=CC=CC=C4O3)C 1 4.353 1 2 0.159897511446097 16293348 CCOC1=CC=C(C=C1)CN(C)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.57 3 3 -12.8348151829273 16293347 CC(C1=C(C=C(C=C1)F)F)NCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.49 3 2 -9.56438889810736 16293343 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)OCC=C)C 1 4.894 2 4 -13.000312020465 16293318 CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4)C5=CC=CC=C5 1 3.368 4 3 0 -1.74902872538454 16293291 C1CN(CCC1C(=O)OCC(=O)NCC2=CC=CO2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 2.428 2 6 0 -19.9348682105116 16293233 CN(CC1=C(C=C(C=C1)Cl)Cl)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 4.63 2 4 -16.1165164556435 16293202 CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 1.526 3 6 0 -27.4210382377619 16293196 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C4=C(C=C(C=C4)Cl)Cl 1 1.947 4 5 0 -7.37095253706386 16293191 CC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3CCCCC3 1 2.057 3 4 0 -11.4204102456731 16293130 CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 2.424 3 3 -15.8607380875513 16293128 CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C(C(C)C)NC(=O)CC2=CC=CC=C2 1 3.246 3 3 -19.6967866229405 16293126 COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)OC)OC 1 4.184 1 4 -12.21747423473 16293089 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCC2CCCCC2 1 3.607 2 5 0 -22.5472434766235 16293059 CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=NC4=C3C=CS4 1 2.467 4 2 -20.0259248960222 16293058 CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC(=NC4=C3C(=C(S4)C)C)C 1 3.054 4 2 -21.3147857859403 16293053 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=CC4=C(C=C3)OCCCO4 1 1.777 3 5 0 -11.7772058763508 16293024 CC(C1=CC=CC=C1Cl)NCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.743 3 2 -12.0857900934324 16292942 COC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4CC4 1 2.162 4 4 0 -11.986994492919 16292940 C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4F)F)C5=CC=CC=C5 1 3.797 4 3 0 -13.1743332697815 16292925 CC(C1=CC(=CC=C1)C(F)(F)F)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl 1 4.626 2 2 -4.23412388987061 16292895 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC2CCSC3=CC=CC=C23)OC 1 1.88 2 4 0 -19.0422567501392 16292894 C1CSC2=CC=CC=C2C1NS(=O)(=O)C3=CN=C(C=C3)Cl 1 2.499 2 2 -10.1337054480823 16292804 COC1=CC=CC=C1N(CC(=O)NC2CCCC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.911 2 4 -16.9263935969165 16292801 C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)F 1 3.156 3 3 -16.6351757127551 16292800 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCCC4 1 3.833 3 4 0 -15.3978693735667 16292785 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCOCC3 1 1.7e-002 3 5 0 -22.6246932060982 16292748 C1COC2=C(C=C(C=C2)NC(=O)CN3C4=CC=CC=C4N=C3NCCO)OC1 1 1.374 4 4 0 -10.022017443365 16292739 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.219 3 5 0 -12.1399735692846 16292724 C1CC1NC(=O)C2=CC=CC=C2NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N 1 1.117 5 4 0 -26.0924477983004 16292713 CCOC1=C(C=C(C=C1)C(=O)C)CN2C(CC3=C2C=CC(=C3)S(=O)(=O)N)C 1 2.805 2 4 -13.5431112488066 16292654 CC(=O)NC1=CC(=CC(=C1)C(=O)N2CCCC3C2CCCC3)NC(=O)C 1 1.707 3 3 0 -8.99277293861702 16292642 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC3=CC=CC=C3CN4CCCC4 1 2.447 3 4 0 -22.3977050322562 16292636 CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)SC3=NN=NN3C4CC4 1 0.638 6 4 0 -39.7332773093753 16292630 CC1=CN=C(S1)NC(=O)CC2C3=CC=CC=C3C(=O)O2 1 1.494 2 3 0 -8.62070340908144 16292625 CCN1CCN(CC1)C2=CC=CC=C2NC(=O)C(C)OC3=CC=C(C=C3)C(=O)C 1 3.142 3 3 -10.1023337643432 16292623 CCOC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3)OC 1 2.53 2 4 -14.7248536161164 16292621 CN(C1CCCC2=CC=CC=C12)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 4.785 1 1 -1.33364352715989 16292608 CCC1=CC=C(C=C1)C(CNC2=NC(=NC3=CC=CC=C32)C(F)(F)F)N(C)C 1 5 4 0 1.67734585788951 16292531 COC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4 1 2.653 4 4 0 -10.0728182830153 16292510 COC1=C(C=C(C=C1)NC(=O)CN2CCCC2C3=CC=CS3)S(=O)(=O)N4CCCCC4 1 2.894 3 4 0 -19.1880135102719 16292509 CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC(=O)NC4CC4 1 2.668 4 2 -14.9724961144903 16292506 CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3)C4CC4 1 0.926 5 5 0 -28.3914982638246 16292505 CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3)C4CC4 1 2.156 5 4 0 -26.4333155423748 16292504 CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC)C4CC4 1 2.156 5 4 0 -28.8160575685908 16292498 CC1=C(C=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)C 1 3.926 3 3 -10.6724738461218 16292460 CC(C(=O)NCC(=O)NC1=C(C(=C(C=C1)F)F)F)N2CCN(CC2)CC3=CC=C(C=C3)C#N 1 2.536 5 2 0 -13.7095342784261 16292428 CC(C)CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)C 1 1.086 4 3 0 -25.9816678088601 16292405 C=CCSC1=NN=C(S1)NC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 1.493 4 3 0 -21.5765857943738 16292388 C1COC2=C(C=C(C=C2)NC(=O)CN3C=NC4=CC=CC=C43)OC1 1 2.036 3 3 -12.2029306195743 16292379 C1CN(CCN1CC2=CC=CC=C2F)C(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5 1 2.047 3 4 0 -10.1936084417715 16292373 CC(C)C(C(=O)N(C)CC1=CC=CC=C1OC)NC(=O)CC2=CC=CC3=CC=CC=C32 1 4.141 2 3 -13.2279511376258 16292369 C1CN(CCN1CC(=O)N(CCC#N)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.716 4 5 0 -23.2263345010477 16292360 COC1=CC(=C(C=C1)CC(=O)NC2CCSC3=CC=CC=C23)OC 1 3.075 1 3 -11.0973497439894 16292355 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)CN3C(=O)C(NC3=O)(C)C 1 1.504 4 6 0 -22.4619415246865 16292338 CCOCC1=C(OC2=CC=CC=C21)C(=O)N3CCN(CC3)CCOC4=CC=C(C=C4)Cl 1 4.245 2 4 4.55620225212669 16292336 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)CN2CCN(CC2)CC3=CC=C(C=C3)Cl 1 3.175 4 2 -6.15937314865816 16292296 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=NN3C4CC4 1 0.138 6 5 0 -43.5502620118682 16292266 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)[C@H](C)N3C(=O)C4CC=CCC4C3=O 1 1.741 3 5 0 -21.8808052817791 16292261 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.573 3 4 0 -10.0644001537284 16292251 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCC(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 1.144 3 6 0 -13.5189564332827 16292246 C1=CC=NC(=C1)/C=C/C2=CC(=CC=C2)NC(=O)C3=NC=CC(=C3)Cl 1 3.821 3 1 -0.863397200799219 16292217 CN1C(=NN=C1SCC(=O)NC2CCCC3=CC=CC=C23)C4CC4 1 3.16 4 1 -16.2574829503385 16292206 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-] 1 1.176 3 8 0 -19.4828680164007 16292200 C1CN(CCN1C(=O)NCC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3F 1 2.891 3 3 -17.0780755139572 16292198 COC1=CC=CC(=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.391 3 4 0 -19.0607979222546 16292143 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3C4=CC=CC=C4C(=O)O3 1 2.718 2 6 0 -24.5712844368887 16292129 CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)O 1 4.107 3 4 0 -6.18390983070874 16292122 CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 4.636 4 3 0 -1.94592909397824 16292101 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=C(S3)NC4CC4 1 1.14 5 4 0 -33.6096202536577 16292080 CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F 1 1.89 3 4 0 -3.96428690889711 16292060 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 2.276 3 5 0 -19.2328880347688 16292035 CN(C)C(CC1=CC=CC=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 4.028 3 3 -11.3835433976337 16292034 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCC(CC3=CC=CC=C3)N(C)C 1 4.175 2 3 8.32169021736425 16291986 COC1=CC=C(C=C1)C(CNC(=O)CC2=CC=CC=C2Cl)N3CCCCC3 1 4.388 2 2 -15.7615281310689 16291969 CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F)O 1 3.009 1 8 0 -20.4811644906077 16291952 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CS3)C(=O)N)OC 1 0.296 4 6 0 -26.6134190924257 16291941 C1CN(CCN1C(C2=CC=CC=C2)C(=O)NC(=O)N)S(=O)(=O)C3=CC=C(S3)Br 1 1.611 4 4 0 -19.9491220284815 16291938 C1CCN(CC1)C2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)NC(=O)N 1 3.07 4 2 -8.87743232409734 16291935 CC1=C(C=C(C=C1)NC(=O)CN2CCCC2C3=CC=CS3)S(=O)(=O)N4CCCCC4 1 3.396 3 3 -18.0234979672598 16291934 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCCC3C4=CC=CS4 1 3.574 3 3 -18.4687566224779 16291915 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.283 2 6 0 -17.9128580674162 16291913 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C)OCC 1 3.426 1 7 0 -25.7785978074955 16291909 CC(C1=CC(=C(C=C1Cl)Cl)F)NC(=O)C(C)NC(=O)C2=CC=CO2 1 3.472 2 3 -7.91694614651786 16291907 CC(=O)C1=CC=C(C=C1)OCC(CN(C)CCOC2=CC=C(C=C2)Br)O 1 3.562 1 4 -3.49064772613895 16291902 CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 0.515 3 6 0 -8.39693942898188 16291899 CCC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=NC=C2)C3=CC=CC=C3 1 1.092 4 3 0 -12.614710937355 16291887 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4 1 2.576 4 4 0 -15.8111202392395 16291880 CCC(C)C1=CC=CC=C1NC(=O)C2=CC(=NO2)C 1 3.293 2 2 -7.19687895340761 16291848 COC1=C(C=C2CN(CCC2=C1)C(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl)OC 1 3.554 2 4 -12.9232258113506 16291811 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CN2C3=CC=CC=C3N=CC2=O 1 0.926 3 4 0 -18.2190019038342 16291768 CN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 1.084 3 5 0 -18.3637142505429 16291766 CC(C1=CC=CS1)NC(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 3.178 3 3 -9.75981189360401 16291749 CC1=C(C=CC(=C1)NC(=O)CN2C(=O)C(NC2=O)CC(C)C)Br 1 2.632 3 3 -12.1122103310172 16291736 CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 3.047 4 4 0 -18.7873286641634 16291728 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=C(C(=C(C=C4)F)F)F)(C)C 1 2.149 4 5 0 -23.1683428847715 16291720 CCC(=O)N(C1CC1)C2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.356 5 3 0 -16.0040960504679 16291715 CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2CC(=O)N4CCCC4 1 2.401 4 4 0 -21.9058474451533 16291706 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(N3C)C4=CC=CO4 1 1.427 7 4 0 -15.2724119518723 16291655 COCCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3 1 3.592 2 5 0 -10.9485244077934 16291651 CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)OC)OC 1 4.484 1 3 -6.11019409047018 16291637 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=NN=C(S4)N 1 0.705 6 4 0 -27.9934190946995 16291599 CN(C)C(CNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC(=CC=C3)OC 1 4.302 2 2 -8.43026557896197 16291574 COC1=C(C=CC(=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)OC(F)F 1 3.474 2 8 0 -13.8962492563735 16291527 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CCN(CC3)C4=CC=C(C=C4)OC 1 2.897 5 3 0 -3.70767799091818 16291520 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC2=CC3=C(C=C2)OCCO3)N 1 2.232 4 5 0 -15.96242840479 16291518 COC1=C(C=C(C=C1)/C=C/C(=O)N(CCC(=O)N)C2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 1.178 3 6 0 -20.0042531287373 16291503 CCOC1=CC=C(C=C1)OCCNC(=O)C2=C(C3=CC=CC=C3O2)COC 1 3.401 1 5 -2.06101237278255 16291477 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F 1 2.599 2 6 0 -17.5683268788939 16291449 CC(COC)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3 1 3.712 2 4 -16.5873499162885 16291440 CCN1CCCC1CNC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.648 3 3 0 -16.6083906691416 16291430 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=NC=CC(=C3)Cl 1 3.583 3 4 0 -16.2451118699549 16291419 CC1=CC(=C(S1)C)C(=O)CCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 3.908 2 4 -8.56811330883218 16291375 CC(C(=O)NCC1CCCO1)SC2=NN=C(N2C3CC3)C4=CC=CS4 1 2.754 4 2 -19.109711021538 16291279 CC(C)CC1C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC=C2)Br 1 2.146 3 3 -10.8016117371766 16291276 CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3(CCCCC3)C#N)C 1 2.931 4 2 -15.4740071862554 16291264 C1CC(CN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)N 1 3.13 3 4 0 -14.9219825509964 16291225 CC1CCCN(C1)C(=O)COC(=O)CC2=CC=C(C=C2)OC 1 2.205 1 4 -11.1855997981067 16291211 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CC2=CC=CC=C2 1 1.369 2 5 0 -20.4088153558029 16291195 C1CC(N(C1)C(=O)COC2=CC=CC=C2C(=O)N)C3=CC4=C(C=C3)OCCCO4 1 2.002 2 5 0 -6.04655512263608 16291181 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3.552 3 4 0 -5.34748189866155 16291010 CC1=CC(=C(C=C1)C)OCCC(=O)OC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.954 3 5 0 -18.3004853787072 16290997 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCCC3C4=CC=CS4 1 2.454 3 3 -19.1839141888088 16290983 CN(CCOC1=CC=C(C=C1)Br)CC(COC2=CC=C(C=C2)C#N)O 1 3.701 2 3 -1.08302804049298 16290973 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 1.755 3 4 0 -7.11205221764491 16290969 CN(CC(=O)NCC(C1=CC=CC=C1)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.883 3 3 -19.2540668613762 16290958 CC1=C(NC(=C1C(=O)C)C)C(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3 1 2.217 3 4 0 -16.7383668929074 16290906 CCCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)CC(=O)N3CCCC3)OCC 1 3.237 3 4 0 -12.5912318408965 16290899 CC1=CC=CC=C1CNC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)NC(=O)C)OC 1 3.014 3 5 0 -21.0822251910117 16290892 CNC(=O)NC(=O)C(C1=CC=CC=C1)NC2CCCC3=CC=CC=C23 1 2.942 3 2 -9.30254435740543 16290843 CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 1.757 2 5 0 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CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC(=O)N4CCCC4 1 3.331 4 2 -14.9564878003196 16290146 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)C)C 1 2.509 2 7 0 -21.5774480206762 16290145 CC(C)(CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC)Cl)N3CCOCC3 1 2.788 3 5 0 -18.5608839798035 16290133 CC(COC)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCN2C=CC3=CC=CC=C32 1 2.406 3 4 0 -24.7184122332291 16290121 CCN1C2=C(C=C(C=C2)C(=O)N(CC)CC3=CC(=C(C=C3)OCC)OC)NC(=O)C1=O 1 2.268 3 5 0 -20.044432682809 16290112 CC(C)NC(=O)CSC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3 1 2.162 3 4 0 -36.3195102140864 16290091 CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)SC3=CC=CC=C3 1 3.648 2 3 -17.2158001854929 16290090 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 4.256 2 3 2.57861673752054 16290089 CCOC(=O)C1CCN(CC1)C(=O)C(C)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 3.643 1 5 -15.1166514525172 16290087 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)NCC3CCCO3 1 2.216 4 4 0 -30.6750095537171 16290012 CC(C#N)(C1CC1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl 1 2.568 4 3 0 -15.8289057189158 16290011 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)CN2CCN(CC2)C3=CC=CC=C3Cl 1 3.264 4 2 -7.16495399718913 16290008 COC1=CC=C(C=C1)C(CNC(=O)COC2=C(C=C(C=C2)F)Cl)N3CCOCC3 1 3.165 2 4 -15.3881581867192 16290003 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC(CC3=CC=CC=C3)N(C)C 1 4.939 2 2 9.88135526812406 16289992 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.585 3 8 0 -22.9635315047113 16289987 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.692 2 5 0 -14.4860871296109 16289980 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC 1 2.311 2 8 0 -22.5683017023109 16289979 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCC(=O)NC2=C(C=C(C=C2C)C)C 1 2.952 2 6 0 -24.5459246867038 16289972 C1COCCN1C(=O)CC2=CC=C(S2)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)N 1 2.24 2 5 0 -15.6489366859276 16289965 C1C(OC2=CC=CC=C2N1S(=O)(=O)C3=C(C=C(C=C3)Cl)F)C(=O)N 1 2.184 2 4 -4.81436165314401 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-11.0059322768533 16289877 C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)OC(F)F 1 1.443 3 6 0 -16.7067892687678 16289874 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)/C=C/C2=C(C(=CC=C2)OC)OC 1 2.686 2 6 0 -11.7858930550134 16289873 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.605 3 6 0 -16.555044106144 16289866 CC1=CC(=CC=C1)N2C(=O)CCC(=N2)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 2.043 4 5 0 -24.0529377054763 16289865 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCCC2=CC=C(C=C2)F 1 2.967 1 5 -19.4653734616807 16289862 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)C)O)C)C 1 3.71 2 5 0 -17.551637535134 16289851 CCOC1=CC=CC=C1OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.138 3 7 0 -27.0353431052011 16289827 C1CC(CN(C1)C(=O)C2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl)C(=O)N 1 3.387 2 3 -1.11624200980248 16289799 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 2.075 3 4 0 -10.8806367259267 16289793 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-18.3012070287067 16289357 CC(C)(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)N3CCOCC3 1 2.877 3 4 0 -7.73502543342445 16289356 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32)OCC 1 2.697 2 6 0 -22.8476218280161 16289341 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=C(C=CC(=N3)Cl)Cl 1 2.124 5 5 0 -15.4736369514786 16289309 CC(C1=CC(=CC=C1)C(F)(F)F)NCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 3.021 3 2 -8.53904283544609 16289304 CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CNC(C)C2=CC=CC3=CC=CC=C32 1 3.401 3 2 -10.9058960273976 16289289 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NC4=CC=CC=C4F 1 1.474 3 5 0 -18.8697383637113 16289283 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4 1 0.639 3 7 0 -27.2891731335059 16289275 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=C(C(=CC=C4)Cl)Cl)(C)C 1 2.862 4 5 0 -23.6691732656408 16289268 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)COC(=O)CC3=C(C=C(C=C3)Cl)Cl)C 1 2.063 3 5 0 -10.3427763156336 16289259 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)NC(=O)C3CCCO3 1 2.24 2 5 0 -18.3962945233989 16289256 CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC(C3=CC=C(C=C3)F)N4CCOCC4)Cl 1 4.143 4 2 -17.1858373962213 16289223 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 3.734 3 3 -1.18419626560893 16289192 COCCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCO3 1 3.609 2 5 0 -12.3574911916087 16289168 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C(=O)N(C3=O)CC(C)C 1 2.275 4 6 0 -15.451764616029 16289156 C1=CC=C(C=C1)C(CNC2=NC(=NC3=CC=CC=C32)C(F)(F)F)O 1 3.38 3 1 1.13262257152086 16289155 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])F 1 1.665 4 8 0 -23.7360495671878 16289150 C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC(=O)NC3CCS(=O)(=O)C3 1 0.521 2 6 0 -27.3378120921981 16289113 CCC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C 1 1.924 4 3 0 -1.50314842622952 16289089 C1CN(CCN1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4Cl 1 4.189 4 2 -4.97420876004926 16289085 C1CN(CC2=CC=CC=C21)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl 1 2.698 3 3 -21.5627117739298 16289066 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.399 5 5 0 -25.4906265161437 16289035 CN(C1CCCC2=CC=CC=C12)C(=O)NC3=CC=CC=C3 1 3.751 2 1 -2.56295370627265 16288987 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCC4=CC=CC=C4C3)OC 1 1.795 3 5 0 -27.7405440433272 16288948 C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)CC(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 3.115 4 2 -5.29759960464828 16288915 CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 2.783 4 4 0 -29.0410697708196 16288907 CSCCC(C(=O)N1CCCC(C1)C(=O)N)NC2=NS(=O)(=O)C3=CC=CC=C32 1 0.306 4 4 0 -16.6457886016842 16288902 CC(C)OC1=CC=C(C=C1)C(=O)NC2CCSC3=CC=CC=C23 1 3.783 1 2 -9.96170775572514 16288896 C1CN(CCN1C2=NC=NC3=C2C=CC(=C3)Cl)S(=O)(=O)C4=CC(=CC=C4)Br 1 3.466 4 2 -3.91657839197634 16288895 CN(C)C(CNC1=NC(=NC2=CC=CC=C21)C(F)(F)F)C3=CC=CC=C3OC 1 4.042 4 1 -1.79652649217382 16288886 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 1.743 4 4 0 -16.4786606664737 16288883 CC1=C(C=CO1)C2=NN=C(N2CC=C)SC(C)C(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 1.315 6 4 0 -18.4159773623872 16288877 C1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 2.198 2 5 0 -13.5926632490027 16288863 C1CN(CCN1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)C3=CN=CN3C4=CC=C(C=C4)F 1 2.946 5 2 0 -5.52866562305871 16288857 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)N 1 1.719 5 4 0 -13.2128114657946 16288856 CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NN=C(O3)C4=CC=CC=C4F 1 3.388 4 3 0 -11.5232547051479 16288839 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 -0.503 4 6 0 -24.048816393574 16288833 COC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)NC2CC2 1 1.382 2 3 0 -21.5522406889102 16288818 CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2CCSC3=CC=CC=C23 1 3.263 1 3 -14.4154960641012 16288778 COC1=CC=C(C=C1)N2CCN(CC2)CC(COC(C3=CC=CC=C3)C4=CC=CC=C4)O 1 4.487 2 3 -4.42920144349018 16288746 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C 1 1.579 4 7 0 -19.8055643619096 16288743 C1CN(CCN1C2=CC=CC=N2)C(=O)C3COC4=CC=CC=C4O3 1 2.034 3 3 -4.53616510091147 16288741 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.099 4 8 0 -19.3867208385691 16288722 CN(CC1=CC=C(C=C1)SC)CC(=O)N(C)CC(=O)NC2=CC=CC=C2Br 1 3.095 3 2 -6.36724111476001 16288662 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CN2C3=CC=CC=C3N=CC2=O 1 0.984 3 4 0 -16.311958615216 16288637 C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)C(=O)CNC(=O)CC3=CC=CC4=CC=CC=C43 1 3.73 3 2 -4.98615821004072 16288612 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=NC=CC(=C3)Cl 1 1.064 5 4 0 -6.90678203705917 16288603 CCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 2.95 3 4 0 -19.4587807187373 16288563 CC1=CSC(=O)N1CCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 -0.972 4 6 0 -21.9244110220227 16288557 CC1CCN(CC1)C(=O)C(C)OC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)C 1 4.494 1 4 -15.3147106522979 16288554 CC(C1=CC=C(C=C1)N2C=CN=C2)NS(=O)(=O)C3=C(C=CC(=C3)NC(=O)C)OC 1 1.475 4 4 0 -12.2923623246542 16288533 CN(C)C(CNC(=O)C1=CC2=C(CCC2)C=C1)C3=CC=C(C=C3)OC 1 3.829 2 2 -7.81016353711755 16288524 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)C2=CC=CC3=C2N=CC=C3 1 3.673 3 2 -8.62621926656123 16288522 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C 1 0.741 5 5 0 -27.4359099668488 16288484 CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 1.566 3 5 0 -19.9474999644141 16288470 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)COC(=O)C3=NC=C(C(=C3Cl)Cl)Cl)C 1 1.97 4 5 0 -13.9453231253866 16288456 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)OCC 1 2.09 2 7 0 -20.0241952678181 16288440 C1CCN(C1)C(CNC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4 1 3.044 4 2 -17.9974541349231 16288412 CN(C)C1(CCCCC1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 3.362 3 4 0 -13.361353577583 16288407 CN(C)C1(CCCCC1)CNC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 4.475 3 2 -16.8928515358768 16288386 CC1CC2=CC=CC=C2N1C(=O)CN3C(=O)C(N(C3=O)C4=CC=C(C=C4)C)C 1 3.093 3 3 -13.2644830762125 16288372 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 3.032 3 4 0 -8.51638458133613 16288336 CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C)S(=O)(=O)N3CCCC3 1 1.645 3 5 0 -21.2198627583258 16288328 CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C 1 4.303 3 3 2.94364304023287 16288327 C1CN(CCC1C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F)C3=NC=C(C=C3)C(F)(F)F 1 3.057 4 3 0 -2.87069050353164 16288326 C1CN(CCC1C(=O)OCC(=O)NC2=C(C=CC(=C2)F)F)C3=NC=C(C=C3)C(F)(F)F 1 3.077 3 3 0.546338635938128 16288321 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C)OCC 1 2.84 1 7 0 -23.9346465362732 16288319 CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl 1 1.395 3 6 0 -17.6720831457527 16288316 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=C(O3)Br)C 1 2.47 2 6 0 -18.466924665374 16288293 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F 1 4.367 3 4 0 -15.5405532691194 16288292 CN(C)C(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)OC 1 3.465 3 4 0 -6.29141404935394 16288286 CCCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(S3)Cl 1 2.639 2 4 -10.4125388334091 16288279 COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl)[N+](=O)[O-] 1 1.976 4 7 0 -15.0521308341633 16288276 CN(C)C(CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2)C3=CC=CC=C3 1 3.527 3 2 -10.4536981230879 16288264 CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(=O)NC4CC4 1 2.053 3 4 0 -12.7362367472094 16288258 CC(C(=O)NCC1=CC=NC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32 1 0.596 4 3 0 -12.7684337394885 16288257 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)OCC 1 2.547 2 6 0 -18.139885766826 16288256 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)OCC3CCCO3)OCC 1 3.104 2 6 0 -19.6442364514654 16288242 CN(C)C(CNC(=O)C1=COC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 2.307 2 3 -4.41621025713087 16288207 CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NNC(=N2)C3=CC=C(C=C3)OC 1 1.602 6 4 0 -9.27985350107224 16288195 C1=CC=C(C(=C1)F)S(=O)(=O)NCC(=O)NNC(=O)C2=CC=C(C=C2)Br 1 1.588 3 4 0 -15.27741921007 16288181 CS(=O)(=O)CC1=CC=CC(=C1)C(=O)NC2CCSC3=CC=CC=C23 1 2.606 1 3 -12.5449481801783 16288179 CN(CC1=CC(=C(C=C1)OC)F)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 4.116 2 3 -10.1341603884897 16288177 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)C(C)OC2=CC(=CC=C2)Cl 1 3.425 2 3 -12.4012501777342 16288176 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)NC(C)C 1 2.53 3 5 0 -23.3070058164437 16288169 CC1=C(C(=CC=C1)NC(=O)CNC(=O)COC2=C(N=CC=C2)[N+](=O)[O-])C 1 1.765 4 5 0 -12.2262589149194 16288167 C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC(=O)NNC(=O)C3=CC=C(C=C3)Br 1 0.596 4 6 0 -9.60528076232555 16288147 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC3CCN(C3)CC4=CC=CC=C4 1 4.499 2 2 10.9495965754112 16288118 C1CN(C2=CC=CC=C2SC1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.264 3 3 -30.1087928866846 16288070 CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3 1 4.08 1 3 -12.3718406604302 16288045 CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(C)(C#N)C3CC3)Br 1 2.196 4 3 0 -19.8611335681791 16288044 CC1=C(C(=CC=C1)C)NC(=O)CN(C)CC(=O)N(C)CC(=O)NC2=CC=CC=C2Br 1 2.579 4 3 0 -13.1592832021043 16288038 CC1=NC2=C(C=CC=C2OCC3=CC(=C(C=C3)OC)F)C=C1 1 4.055 1 2 -2.26556472511934 16287983 CC1=CC(=CC=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)N4CC(=O)NC5=CC=CC=C54 1 1.718 6 3 0 -13.4227998640061 16287968 COCCNC(=O)CSC1=CC=CC=C1C(=O)NC2CCSC3=CC=CC=C23 1 2.543 2 3 -24.3424823018413 16287953 C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)CC4=C(C=CC=C4Cl)F)C5=CC=CC=C5 1 5.213 4 1 -4.56029207013132 16287903 CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)CN2C(=O)C3(CCCCC3)NC2=O)C 1 1.717 4 5 0 -15.3687523122954 16287892 CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4 1 2.66 3 4 0 -9.85445119117271 16287874 CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C 1 2.311 3 5 0 -22.9948397008821 16287835 CC(C)[C@@H](C(=O)OCC1=NC(=O)C2=C(N1)C=CS2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.869 3 4 0 -16.5451212055582 16287830 CCCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C 1 4.456 5 2 0 -9.55408398152482 16287819 CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)CC(=O)NCC3=C(C=C(C=C3)Cl)Cl)C 1 3.858 4 2 -7.65538500340588 16287737 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C)OCC 1 3.535 2 7 0 -21.8368166575716 16287745 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N)C(=O)NCCCSC3=CC=CC=C3 1 1.846 3 4 0 -15.1586788936558 16287752 CS(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)N(CC=C)C(=O)CC3=CC=CS3 1 3.895 2 3 -14.9876395539893 16287790 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=C(C(=C3)OC)OC)OC 1 2.018 2 8 0 -29.1356603972498 16287777 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC(=C(C=C3OC)OC)OC 1 2.132 2 7 0 -27.1165367786534 16287776 CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C 1 3.121 2 4 -10.5435511776521 16287773 CCC(C)C(C(=O)N1CCC(CC1)C)NC2=NS(=O)(=O)C3=CC=CC=C32 1 2.838 3 3 -20.8298862608152 16287723 CC1=CC(=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)O 1 3.989 2 5 0 -5.37137814424073 16287719 COCC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)Cl 1 3.733 1 4 0.941947845324555 16287667 COC1=CC(=C(C=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC)OC 1 2.606 2 6 0 -25.0939017928821 16287658 CC1=CC=CC(=C1O)C(=O)OC(C)C(=O)NC(=O)NC2CCCCC2 1 3.111 2 5 0 -8.5315531573725 16287645 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=C(C=CC=C4F)F 1 2.139 2 4 -8.34705917316346 16287634 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3C4=CC=CC=C4OC3=O 1 1.169 5 5 0 -8.5260763926493 16287624 CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCNC(=O)C2=CC=CO2 1 2.675 2 5 0 -15.8007555845535 16287521 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F)C4CC4 1 0.573 4 5 0 -21.4759976979759 16287553 CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC=CC=C2OC 1 4.125 1 4 -18.0189436790276 16287538 CC1=CC(=C(C=C1)C)OCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC 1 3.688 2 5 0 -20.2535657157067 16287471 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)OCC3=CC=C(C=C3)Br)(C)C 1 3.722 2 4 -9.87352096017613 16287467 CC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)C 1 0.416 3 3 0 -18.8245566190583 16287464 C1CN(C(=O)N1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F 1 0.71 4 4 0 -22.2674423957809 16287461 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)NCCC2=CC=CC=C2F)C 1 1.943 3 4 0 -17.7046150967069 16287447 CC1=CC(=C(C=C1)S(=O)(=O)NC(CCC(=O)N)C(=O)NCC2=CC3=C(C=C2)OCO3)C 1 1.683 3 6 0 -18.5950635290974 16287443 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2CCCC(C2C)C)C3=CC=C(C=C3)Cl 1 3.753 3 3 -8.40650331595086 16287433 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCCCN3C=CN=C3 1 1.662 4 4 0 -8.95313152556412 16287430 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CN3C(=CSC3=O)C 1 -0.154 5 6 0 -14.4312625409869 16287397 CC(C1=CC=C(C=C1)F)NC(=O)COC(=O)CSC2=CC=C(C=C2)F 1 3.51 1 3 -11.9158769206695 16287390 C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4F)F 1 1.388 3 5 0 -21.7533656488104 16287384 CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.114 3 6 0 -24.5501227806446 16287227 CCC1=NOC(=C1C(=O)OC(C)C(=O)NCC2=CC=C(C=C2)OC)C 1 2.345 2 5 0 -18.3459730865162 16287218 CCC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl 1 3.113 3 3 -8.44666066088077 16287162 COC1=CC=CC=C1CCC(=O)N(CC=C)C2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)C 1 4.382 2 4 -16.6972924397829 16287125 CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)CCN3C(=O)C4(CCCC4)NC3=O 1 4.492 3 3 -6.43193034264506 16287034 CCN(CC(=O)NC1CCS(=O)(=O)C1)C(C)C(=O)NC2=CC=C(C=C2)F 1 0.562 3 4 0 -18.3497026823396 16287017 CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C 1 3.44 1 3 -14.221691478422 16286942 CCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CN=CC=C3 1 2.335 5 3 0 -20.8232094259312 16286933 CC(C)C(C(=O)N1CCC1)NC(=O)C2=CC=C(C=C2)F 1 1.717 2 2 0 -16.4891988103507 16286925 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=C(C(=C(N3)C)C(=O)C)C 1 1.065 5 6 0 -17.4027817846756 16286918 CC1CCC2=C(C1)C=C(S2)C(=O)NN/C(=C\3/C=CC=N3)/C 1 2.479 3 1 -8.65498859401825 16286888 COC(=O)C1CCN(CC1)C(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-] 1 0.477 3 9 0 -19.5221661505506 16286864 C1CN(CCN1CC(COC2=CC=C(C=C2)C#N)O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.473 3 2 -9.52721786912212 16286863 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C=CC(=C3)Br)O 1 3.087 1 6 0 -7.06866559703319 16286851 CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NCC3=CC=CC=N3 1 1.518 3 2 0 -17.6884269578545 16286843 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)CC3=CC=CC=C3OC 1 3.659 2 5 0 -19.2182572032507 16286835 C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)CCS(=O)(=O)CCC(=O)N 1 0.661 3 5 0 -20.996688669546 16286832 CCCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)C 1 2.879 2 4 -16.0169145790001 16286805 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2CCSC2=O 1 1.995 1 3 0 -12.2583988611673 16286794 CC1CCCN(C1)CC(=O)NC(=O)NC2CCCCC2 1 2.254 3 2 -8.43254325568337 16286780 CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NC2CCN(C2)CC3=CC=CC=C3 1 2.202 2 3 -6.63289808734144 16286769 C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O 1 1.825 2 6 0 -20.0110945336889 16286753 C1CCC(=CC1)CCNC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC(=CC=C4)Cl 1 3.635 5 2 0 -13.2232906716461 16286718 CC1=CC(=C(C=C1)C)C(C)NC(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC 1 2.892 2 5 0 -22.2321903800558 16286702 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 2.753 3 4 0 -16.2982117432265 16286690 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3C=CC(=N3)C(F)(F)F 1 1.474 6 3 0 -12.7914295213454 16286686 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 2.416 3 6 0 -28.0660718430021 16286672 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCNS(=O)(=O)C3=CC=CS3 1 2.613 3 3 -4.75071222073181 16286652 CCC1(C(=O)N(C(=O)N1)CC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)OC 1 2.625 2 6 0 -9.1894106781907 16286637 C1COCCN1C(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CO3)Br 1 1.356 2 5 0 -12.6683184641361 16286633 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=C(C3=CC=CC=C3O2)COC 1 2.103 2 5 0 -6.67881998396853 16286618 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC 1 2.602 3 6 0 -11.8282355424809 16286617 CN(CC1=CN=CC=C1)C(=O)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.141 3 3 -6.13393726524969 16286603 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2 1 1.323 2 7 0 -24.6403014714083 16286593 CC(C1=CC(=CC=C1)C(F)(F)F)NC(=O)C2=CC3=C(C=C2)OCO3 1 3.709 1 3 -8.06736401121988 16286564 C1CN(CCN1CC(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 2.229 3 3 -23.1998637057516 16286547 CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C(C)OC3=CC=C(C=C3)C#N)C 1 3.008 4 3 0 -13.7548617399991 16286539 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2CCN(C2)CC3=CC=CC=C3 1 2.451 3 3 -7.96670835151406 16286510 CN(C)C(CNC(=O)CC1=CC2=CC=CC=C2C=C1)C3=CC=C(C=C3)OC 1 3.715 2 2 -4.46365804929589 16286499 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N(C)C 1 3.257 3 4 0 -13.5621536472229 16286481 CC1=NC=C(N=C1)C(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3 1 2.964 3 1 -10.7632977163376 16286477 CC1=C(SC=C1)CN(C)C(=O)C(C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 2.245 3 5 0 -30.7638593675499 16286470 C1C(CN(C1=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NCCC3=CC=CC=C3F 1 3.362 2 2 -9.15411231297638 16286467 CC1=C(SC=C1)CN(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.481 3 4 0 -17.744724266588 16286464 CC1=C(NC(=C1C(=O)C)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.884 3 6 0 -24.2962090573165 16286460 C1CN(C2=CC=CC=C21)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl 1 2.691 3 3 -21.6792821532307 16286459 CCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC 1 3.149 4 4 0 -20.3001285825697 16286457 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(N3N)C4=CC=CS4 1 1.287 8 3 0 -20.2187605000349 16286456 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC(=CN3N)C4=CC=CC=C4 1 1.879 7 3 0 -11.6660278533597 16286440 C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O 1 3.551 2 5 0 -17.1437873393101 16286431 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C2COC3=CC=CC=C3O2 1 2.562 1 6 0 -11.9548221069418 16286403 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3(CCS(=O)(=O)C3)C 1 -0.164 3 6 0 -23.4026849788961 16286402 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CN=CC=C3 1 0.557 4 4 0 -24.3529840025352 16286391 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C(C)SC3=CC=CC=C3 1 3.678 2 3 -16.9793821229787 16286390 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC=CC=C4 1 3.117 4 3 0 -16.8605245264707 16286384 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCO3)C 1 1.955 2 4 0 -24.467169782528 16286372 CNS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 2.653 3 4 0 -25.0208157009681 16286346 CC(C)CC(C(=O)NC(C)C1=CC=CS1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 3.308 2 4 -17.881366161133 16286329 CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.972 5 5 0 -18.9067408719254 16286283 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 3.783 2 5 0 -14.5526674651746 16286256 CC(C(=O)NCC1=CC=C(C=C1)OC)NCC2=CC=CC=C2Cl.Cl Cl- 1 3.143 2 2 -5.41431171269551 16286240 COC1=CC=C(C=C1)CCNC(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-] 1 1.832 3 8 0 -20.1347963514957 16286234 CC1=NN=C(N1N)SCC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3 1 0.678 5 3 0 -25.9909496067797 16286233 CC1=NN=C(N1N)SCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 0.7 6 4 0 -28.8065213429935 16286209 CC1=C(C(=CC=C1)NC(=O)CN(CC2CCCO2)C(=O)C3=C(C4=C(O3)C=CC(=C4)F)C)C 1 4.498 2 4 -2.67908080911947 16286195 CCOC1=CC(=C(C=C1)OCC)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl 1 3.964 2 4 -4.47501299148842 16286183 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=C(C(=C(C=C4)F)F)F 1 1.44 4 5 0 -18.7850825239259 16286120 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)N2CCN(CC2)CC3=CC=CC=C3C 1 3.219 4 2 -8.73478539754243 16286158 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F 1 2.755 2 5 0 -13.0260592353996 16286150 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N2CCN(CC2)C3=NC=CC=N3 1 0.273 5 4 0 -13.3930371972239 16286112 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 3.016 3 5 0 -12.268258400368 16286099 COC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=C(O2)Br 1 1.808 2 5 0 -17.3023348983689 16286088 C1CCN(C1)C2=C(C=C(C=C2)Cl)NC(=O)CC3C4=CC=CC=C4C(=O)O3 1 3.639 2 3 -5.85999539891507 16286087 CCC1=CC=CC(=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C 1 4.369 3 3 -18.5047918374493 16286084 C1CCC(CC1)(C#N)NC(=O)COC2=C(N=CC=C2)[N+](=O)[O-] 1 1.814 4 4 0 -9.2465351872258 16286070 CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O)N 1 -0.11 5 6 0 -18.3692565403541 16286063 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(C)NC(=O)C2CCCN2C(=O)C3=CC=CS3 1 2.629 3 4 0 -24.1532646024171 16286048 C1COCCN1C(CNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CS5 1 4.496 4 2 -3.38979619212083 16286027 C1CN(C2=CC=CC=C21)C(=O)C3CC(=O)N(C3)C4=CC=CC(=C4)C(F)(F)F 1 3.109 2 2 -9.36883801429771 16285974 CC1=CC(=NO1)C(=O)NCC(C2=CC=C(C=C2)OC)N(C)C 1 1.8 3 3 0 -11.8671514965991 16285944 CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C(C)NC(=O)C3=CC=C(C=C3)Cl 1 2.988 4 3 0 -15.1884447338862 16285928 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC)C(=O)NCC3=CC=CC=C3F 1 3.99 2 4 -20.8268148687096 16285924 CC(C)C1=CC=C(C=C1)N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)C3=CC=CC=C3 1 2.666 3 4 0 -19.5196537632209 16285898 CC(C)N(CC1=NN=C(O1)C2=CC=CC=C2Br)C(=O)C3=CC(=NC4=CC=CC=C43)Cl 1 4.854 4 2 -11.0856148243893 16285897 CC1=CN=C(S1)NC(=O)C2CCC=CC2 1 1.774 2 1 0 -1.27708940880708 16285895 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=C(C=C3)Cl 1 1.941 3 4 0 -23.4260596232251 16285891 CC(C)C(C(=O)NCC1=CC=NC=C1)NC(=O)C2=C(C=CC=C2F)F 1 2.269 3 2 -18.8638995418091 16285874 CCN(CC1COC2=CC=CC=C2O1)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CC(OC(C4)C)C 1 3.28 2 6 0 -23.4946455883433 16285858 CC(C)C1=CC=C(C=C1)C(=O)OC2CCOC2=O 1 2.603 0 4 -6.29154577879128 16302655 COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2CN3CCCC3)S(=O)(=O)N4CCOCC4 1 1.944 3 5 0 -22.6868543310374 16302611 CC(C1=CN=CC=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.725 3 2 -11.8484404681826 16302610 CCCC(C1=CC=CC=C1)NCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 3.059 3 2 -15.9560328592456 16302599 C1CC(OC1)CNC(=O)COC(=O)/C=C/C2=C(C=CC=C2Cl)F 1 2.441 1 4 -15.3348811740248 16302586 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2CC(=O)N(C2)C3=CC=CC=C3F 1 0.811 3 6 0 -20.6183473202828 16302561 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3C(=O)C4(CCCCC4)NC3=O 1 2.124 4 6 0 -12.8043400475899 16302525 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4 1 0.958 3 6 0 -25.7921184654554 16302451 CC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)C3=CC=C(C=C3)OC 1 3.302 2 3 -2.28782883272084 16302467 CC(C(=O)N1CCCC1)OC(=O)C2=CN(C3=CC=CC=C32)C 1 2.395 2 3 -10.1542699683392 16302485 CCCN1C(=O)NN=C1SCC(=O)N2C(CC3=CC=CC=C32)C 1 2.784 4 2 -18.2658286097612 16302484 CC1CCC(CC1)NC(=O)COC(=O)C2=C(N=CC=C2)Cl 1 2.578 2 3 -12.8612296464819 16302477 C1C(N(CC2=CC=CC=C21)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C(=O)N 1 2.83 4 3 0 -11.1293704532969 16302414 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4 1 3.999 3 2 -9.89006084169984 16302413 COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CN3C(=O)C4(CCCCC4)NC3=O 1 2.361 4 6 0 -15.7696039128384 16302411 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CS3)C(=O)N 1 0.718 4 4 0 -11.6788588116532 16302407 CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CN3C(=O)C4(CCC5=CC=CC=C54)NC3=O 1 2.242 3 5 0 -13.7857026060532 16302405 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl 1 1.069 4 5 0 -16.3334671859703 16302370 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.02 3 4 0 -17.1606813780357 16302344 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4CC=CCC4C3=O 1 1.605 3 5 0 -26.3771023546621 16302341 CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4 1 4.475 4 3 0 -3.18993215474751 16302337 CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)CN3C(=O)C4(CCCC4)NC3=O 1 1.319 5 4 0 -12.9101076857111 16302335 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCN3C(=O)C4(CCCC4)NC3=O 1 0.92 4 6 0 -24.255989643493 16302288 CC1CCCC(C1C)NC(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)O)O 1 2.47 2 6 0 -7.3781398248029 16302277 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)/C=C/C3=CC(=CC=C3)Br 1 2.749 3 5 0 -11.6472403234863 16302271 CC1=C(C(=CC=C1)OCC(=O)OCC(=O)NCC2CCCO2)C 1 1.911 1 5 0 -15.5678945714912 16302261 CN(C)C(CNC(=O)C1CC(=O)N(C1)CC2=CC=CC=C2)C3=CC=CC=C3 1 2.067 3 2 -14.7894043883488 16302246 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O 1 3.534 2 4 -10.1557121463066 16302227 CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4 1 1.32 4 5 0 -22.0801820399317 16302211 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC(OC5=CC=CC=C54)C(=O)N 1 2.38 3 5 0 -20.0785405773183 16302205 CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 3.259 3 3 -10.6679003937495 16302191 C1COC2=C(O1)C=CC(=C2)CCNC(=O)C(CCC(=O)N)NC(=O)C3=CC=C(C=C3)Cl 1 2.011 3 5 0 -19.1114952259044 16302173 CC1=C(C(=CC=C1)NC(=O)C2=C(N=C(S2)C)C)C 1 2.877 2 1 -5.45352069184235 16302142 CC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3)S(=O)(=O)N4CCCCC4 1 2.95 3 4 0 -24.9298568108325 16285802 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=C(N=CC=C3)SC)C 1 2.438 3 5 0 -24.5558397517437 16285798 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5 1 2.486 7 2 0 -19.7895717425907 16285793 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 0.542 3 5 0 -12.4640362508729 16285792 C1=CC(=C(C=C1Br)F)NC(=O)COC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 2.082 2 4 -6.08293732418882 16285786 CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)CN(C)CC2=CC=C(S2)Br)C 1 3.366 3 2 -8.48241164438752 16285742 CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCC2 1 1.844 2 3 0 -18.3802651966681 16285740 CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCC2=CN=CC=C2 1 2.19 3 3 -23.0888224663946 16285735 C1C(=O)N(C(=O)S1)CCNC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC(F)F 1 1.645 6 4 0 -22.9285635850894 16285685 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(C)NC(=O)CC2=CNC3=CC=CC=C32 1 3.142 3 3 -19.3126442379951 16285666 CC(C)(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)N3CCOCC3 1 2.599 3 4 0 -10.105217847569 16285664 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NCCOC4=CC=C(C=C4)Cl 1 2.392 2 5 0 -12.3604404214799 16285634 CC1=CSC(=O)N1CCC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)Br 1 1.112 3 5 0 -17.9631643230699 16285633 CCC1=CC=CC=C1NC(=O)CNC(=O)CCNC(=O)NC2=CC=CC=C2 1 1.833 4 3 0 -19.5652576018332 16285622 CC1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C 1 2.514 2 2 -9.30597944696959 16285614 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCC(CC2)CC3=CC=CC=C3 1 2.032 3 4 0 -11.5188535520146 16285609 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NCC3CCCO3 1 1.137 3 4 0 -17.454792857203 16285599 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CC3=C(C=CC=C3Cl)F 1 2.213 4 5 0 -14.1040948163232 16285595 C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N 1 2.309 4 3 0 -15.8528923421488 16285588 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=NC=C3 1 2.343 3 3 -18.301051945361 16285581 CN(CC1=CN=CC=C1)C(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)NCC3=CC=CC=C3OC 1 3.483 3 4 0 -7.68309943721675 16285568 CCN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C 1 4.645 5 2 0 -7.41473880877483 16285536 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)N 1 1.929 4 4 0 -6.3540866156371 16285505 C1CNCC2=C1C3=C(N=CN=C3S2)N.Cl Cl- 1 0.595 4 0 0 -6.5786561598801 16285452 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC(=O)C3=CC=CC=C3O)Cl 1 2.328 3 5 0 -15.5101273155411 16285481 COC1=CC(=CC(=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCC3)\C(=O)O)OC 1 3.029 1 6 0 -14.7197144379258 16285462 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC3=C(C=CC(=C3)F)C 1 3.126 3 3 -12.2412003766609 16285443 CC(C1=CC=CC=C1Cl)NC(=O)COC(=O)C2=CC=C(C=C2)OCC3CCCO3 1 3.712 1 5 -19.0710553289856 16285437 CC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F)NC(=O)C3=C(C=CC=C3F)F 1 2.831 3 4 0 -30.0002692648384 16285433 COC1=CC(=C(C=C1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F)OC)OC 1 1.582 2 7 0 -25.6084390995754 16285403 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 1.676 5 4 0 -25.3870203398526 16285402 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NNC(=N2)C3=CC=CS3 1 2.654 5 2 0 -11.1301584165447 16285401 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C 1 2.165 2 6 0 -23.6732484821425 16285367 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC(C)C)N 1 2.599 5 4 0 -12.1545000498212 16285299 CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)COC(=O)CN2C(=O)C3(CCCC3)NC2=O)C 1 1.379 4 6 0 -17.0115245934484 16285298 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)OCC 1 3.076 2 6 0 -27.2596838628285 16285296 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)CC(=O)NC(=O)NCC2=CC=CC=C2 1 2.986 4 3 0 -9.18615001602938 16285294 CCC(C(=O)OCC(=O)N(CC)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)OC3=CC=CC=C3 1 2.152 4 6 0 -14.2172248682355 16285285 C1CC(OC1)CNC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC(F)F 1 1.934 5 3 0 -17.8690982511667 16285277 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 2.705 3 4 0 -25.2505017841203 16285267 CS(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)N(CC=C)C(=O)C3CC(=O)N(C3)C4CCCC4 1 3.004 3 4 0 -18.4862472095152 16285260 C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)COC3=C(C=C(C=C3)F)Cl 1 3.541 3 2 1.21027071891851 16285251 C1CN(CCN1C2=NC=C(C=C2)S(=O)(=O)N)C(=O)C3COC4=CC=CC=C4O3 1 0.12 4 5 0 -8.47093502411447 16285235 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCCC5 1 4.318 3 4 0 -17.6020830651478 16302114 CC1=C(SC(=N1)C)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)F 1 2.301 2 3 -11.5383609005023 16302103 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C 1 2.124 5 4 0 -10.6622662765777 16302102 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC(=O)NC4=CC=CC=C4Cl 1 2.08 4 4 0 -21.3308477401946 16302098 CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4 1 3.325 4 3 0 -15.1877028619639 16302095 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4 1 1.393 4 4 0 -16.0482027897165 16302093 CC(C1=CC2=CC=CC=C2C=C1)NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 2.446 3 3 -7.76746576790787 16302089 CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)C2=COCCO2 1 1.211 1 7 0 -11.9372256810272 16302087 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 1.847 4 5 0 -15.6057042796842 16302083 COC1=C(C=C(C=C1)CC(=O)OCC(=O)NCC2=CC=CO2)OC 1 1.512 1 6 0 -18.8065461763875 16302071 COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=NC(=C(C(=C2Cl)Cl)Cl)Cl 1 4.457 2 4 -12.6070484511492 16302058 CCN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=C(S2)Cl 1 1.048 1 4 0 -10.7669329764247 16302056 CC(=O)C1=CC(=CC=C1)NC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 1.059 2 4 0 -11.8876617055398 16302055 CCCC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3 1 2.876 3 4 0 -23.6106809255622 16285224 CC(C1=CC=C(C=C1)N2C=CN=C2)NS(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 2.338 3 4 0 -7.70248958948493 16285215 CC(C1=CC=CS1)NC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC 1 0.816 3 4 0 -19.7875687643937 16285203 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CC3=CC=CC=C3 1 3.011 3 3 -10.4186786668414 16285157 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 2.891 3 4 0 -5.29110906039285 16285159 CC(C(=O)C1=CC=CC=C1)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 3.77 2 3 1.78296917001119 16285161 C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)F)C3=NC=C(C=C3)C(F)(F)F 1 2.872 3 3 1.83058896026571 16285187 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)CNC(=O)C2=CC=CS2 1 0.938 3 6 0 -23.7524180022517 16285168 CC1=C(C=C(C=C1)F)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 3.358 3 3 -0.890933600203689 16285167 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 2.138 4 4 0 -4.67209575364998 16285166 CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 3.394 3 5 0 -3.76550806601414 16285165 COC1=CC=CC(=C1)CNC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 2.657 3 4 0 -3.97665052432698 16285164 CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C 1 3.824 4 3 0 -3.7920597766232 16285149 CC1=CC=C(S1)C(=O)OCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 0.928 4 6 0 -12.3178932274962 16285146 C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)C3=C(C=C(C=C3)O)O)C4=CC=CC=C4 1 4.135 3 5 0 -2.12256410936755 16285137 C1CS(=O)(=O)CC1NC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2 1 -1.512 4 4 0 -8.3147921929892 16285131 CCOC1=C(C=C(C=C1)C(=O)C)COC2=C(N=CC=C2)[N+](=O)[O-] 1 2.752 2 5 0 -7.42761165405315 16285128 CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=CC=C4)Br 1 4.164 4 2 -6.51814806212323 16285116 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.203 3 6 0 -27.1578847469609 16285114 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.475 3 6 0 -23.525348539351 16285086 C1CC(CN(C1)C2=NSC3=CC=CC=C32)C(F)(F)F 1 3.511 2 0 2.01810261985686 16285085 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3O)C(=O)C4=CC=NC=C4 1 3.007 3 3 -4.83192850762889 16285083 C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=NC=C3)C4=CC=CC=C4O 1 3.771 3 2 -4.05362335299937 16285080 CC(C)C(C(=O)OCC(=O)N1CCCC1)NC(=O)C2=CC=CC=C2 1 1.799 2 4 0 -22.6054999343082 16285079 CC(C(=O)NC1CCCCC1)SC2=NN=C(N2C)C3=CC=CC=C3F 1 4.016 4 1 -10.8556005793257 16285077 CCOC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)OCC 1 3.236 2 6 0 -22.2460656019328 16285075 C1C(CN(C1=O)CC2=CC=CO2)C(=O)NC3=CC=CC=C3Cl 1 1.739 2 3 0 -8.29496732375102 16285060 CC(C1=CC=CC=C1)NC(=O)CN(C)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 3.583 3 2 -10.7509999637363 16285055 C1=CSC(=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.171 3 6 0 -13.7824722429235 16285053 C1C(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=CO3 1 2.513 1 3 -5.64934991974871 16285042 CC1=C(C=C(C=C1)C(=O)OCCOC2=CC(=CC=C2)Cl)S(=O)(=O)N3CCOCC3 1 3.272 1 6 0 -20.0935309693926 16285015 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CSC3=CC=CC=C3)C 1 2.901 2 5 0 -19.7121062496731 16285002 COC1=CC(=C(C=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)OC 1 2.044 3 6 0 -21.181020228592 16284998 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CNC(=O)C3=CC(=CC=C3)C 1 0.855 5 6 0 -18.3466472955088 16284994 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC(C)C)N 1 2.836 6 4 0 -14.5924498559303 16284966 C1CCN(C1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC(=CC=C3)C(F)(F)F)/C(=O)O 1 4.004 1 4 -7.65594819510424 16284891 CNS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)NCCC2=CC3=C(C=C2)OCCO3 1 0.699 3 6 0 -22.6205644463875 16284861 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)[N+](=O)[O-] 1 2.348 5 5 0 -8.37229185853661 16284850 CC(C1=CC=CC=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC 1 4.27 3 3 -11.3366011591043 16284844 C1CN(CCN1C(=O)COC(=O)CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.44 2 5 0 -20.5023008711854 16284838 CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)C2=C(C3=C(O2)C(=CC=C3)Cl)C)C 1 4.467 2 4 0.274448274339216 16284837 CC(C(=O)NC1=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC=C(C=C3)Br 1 2.667 4 3 0 -9.17413797794858 16284831 CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/C#N 1 3.481 3 3 -12.3254480008625 16284830 C1CC1NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F 1 2.367 2 6 0 -20.2341098865738 16284819 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F 1 2.704 3 4 0 -17.820445447363 16284818 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)/C=C/C2=CC(=CC=C2)OC 1 3.938 2 3 -6.09107235097055 16284817 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)CC2=CC(=C(C(=C2)OC)OC)OC 1 3.472 2 5 0 -12.4983074774339 16284806 CC1=CC=C(C=C1)OCCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC 1 3.523 2 5 0 -22.2121849464514 16284805 C=CCN1C(NC2=CC=CC=C2C1=O)C3=CC=C(S3)Br 1 3.798 2 1 -8.08090557638201 16284780 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC(=CC=C3)OC 1 0.646 3 7 0 -32.8804795204253 16284774 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C 1 3.138 2 6 0 -3.9859962315052 16284759 CC(C(=O)N1CCOCC1)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3OC 1 2.019 2 5 0 -17.6319907113919 16284735 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C 1 3.077 2 6 0 -19.7392288531426 16284719 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N 1 2.345 4 5 0 -16.6131574316158 16284718 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 2.347 5 5 0 -15.5159109801953 16284716 CC1=NC(=CS1)CC(=O)NNS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 0.632 4 6 0 -14.5437852177214 16284715 CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CO 1 4.408 1 4 -16.5643729082427 16302049 CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)C3CCN(CC3)C 1 2.796 3 3 -8.23112791280387 16302038 CC1=CC(=C(O1)C)C(=O)OC(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C 1 2.692 1 6 0 -12.5743839870418 16302028 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N 1 3.154 4 3 0 -17.3455568481104 16302025 C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NN=C(O3)COC4=CC=C(C=C4)Cl)N 1 1.553 5 5 0 -17.6000966127229 16302022 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)N4CCCCC4 1 3.008 4 3 0 -7.37645352712532 16302001 CC1CC1C(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl 1 2.204 2 3 -6.57545487520978 16301995 CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OC(C)C(=O)N 1 2.03 2 4 -17.7011557440296 16301988 CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)C)NC(=O)C4=CC=CO4 1 3.438 4 4 0 -14.3730091442952 16301958 CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)N(C)CC(=O)NC3=CC=CC=C3SC 1 2.078 3 3 -19.3138585590594 16301930 CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4 1 2.947 3 4 0 -5.92268198959807 16301917 C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4 1 2.34 4 4 0 -9.28120517070284 16301914 COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CN=C(C=C2)Cl)OC 1 2.631 1 5 -16.0640020706357 16301912 COC1=C(C=C(C=C1)CNC(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O)OC 1 1 2 7 0 -21.8685986523635 16301894 CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3 1 2.606 3 5 0 -19.7352211691165 16301880 CC1=C(SC(=N1)C)C(=O)OC(C)C(=O)C2=CC=C(C=C2)OC 1 2.699 1 4 -8.43711791935993 16301878 CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.981 2 5 0 -17.118993554553 16301874 CC1CC(CN(C1)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C 1 2.869 2 5 0 -11.4129675463489 16301872 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=CC=C2)Cl 1 1.123 1 5 0 -16.7054606942899 16301868 CC1CN(CC(O1)C)C(C)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.502 2 2 -15.3744891915541 16301867 COC1=CC=CC=C1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl 1 3.909 2 4 -18.2810159368355 16301839 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(S2)NC3CCCCC3)N 1 1.139 6 3 0 -21.6873450306378 16301835 CC1=CC(=C(O1)C)C(=O)OC(C)C(=O)NC2CCCCC2 1 2.482 1 4 -13.8306854931874 16301832 CC1CC(CN(C1)C(=O)COC(=O)C2=C(C=CC=C2OC)OC)C 1 2.474 1 5 -13.0021907648401 16301831 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4 1 4.07 2 5 0 -8.92457908613518 16301828 CCC(C1=CC=C(C=C1)Br)NC(=O)CSC2=NN=NN2C3CC3 1 3.006 5 1 -28.3515079664807 16301825 CC(C1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3N=C2 1 2.891 3 1 -10.3577246065296 16284704 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.583 2 8 0 -20.3626015865101 16284690 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])F 1 0.776 4 7 0 -21.6221963980839 16284668 CC(C)C(C(=O)NC(C)C1=CC=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=CS2 1 1.58 3 5 0 -22.6501447633115 16284659 CC(C1=CC=CC=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=CC4=CC=CC=C43 1 3.005 3 3 -9.55319563741049 16301818 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC(=CC=C2)OC 1 2.681 1 5 -13.0030971918098 16301793 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NNC(=O)N3CCCOC 1 0.761 6 4 0 -24.2354990138995 16301788 CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CC=C3)OC 1 2.557 1 6 0 -14.0908880203601 16301784 CC1CCCCC1NC(=O)COC(=O)C2CC3CCCC(C2)C3=O 1 2.971 1 4 -12.8182897242012 16301780 CC1CC(CN(C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3)C 1 2.274 1 5 -14.8823194900521 16301776 COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(S2)Cl)N3CCOCC3 1 2.872 2 3 -10.4163683526417 16301774 COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N4CCOCC4 1 2.948 3 5 0 -17.5347759646351 16284611 COC1=CC=C(C=C1)OCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 3.462 2 4 -9.00414656836621 16284610 CC(C(=O)NC1=CC=CC=C1OC)OC(=O)CCNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 2.742 2 6 0 -15.2156518530589 16284604 C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5 1 4.684 5 1 -9.50673186579938 16284602 COC(=O)C(CC1=CC=CC=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 2.841 2 4 -20.080000174944 16284591 C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F 1 1.849 3 4 0 -25.082657716956 16284569 CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC(=CC=C2)NC(=O)C 1 1.988 3 5 0 -16.0088031345193 16284563 CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=CC=C(C=C2)CN3CCCC3=O 1 3.059 2 4 -17.7539343868244 16301728 CC(C(=O)N1CCC2=CC=CC=C21)N(C)CC(=O)NC3=CC(=CC=C3)F 1 2.563 3 2 -12.290207383356 16301730 CC1CC(CN(C1)C(=O)C(C)N(C)CC(=O)NC2=CC=C(C=C2)F)C 1 2.467 3 2 -10.4964968429942 16301731 CC(C(=O)N1CCC2=CC=CC=C21)N(C)CC(=O)NC3=CC=C(C=C3)F 1 2.563 3 2 -13.2719417969964 16301732 CC1CC2=CC=CC=C2N1C(=O)CN(C)CC(=O)NC3=CC=C(C=C3)F 1 2.456 3 2 -9.85767551237192 16301745 CC1(CC(CC(N1)(C)C)NCC(C2=CC(=CC=C2)F)N(C)C)C 1 2.48 3 0 -4.68516656114525 16301735 CC1=CC(=C(C(=C1)C)NC(=O)CN(C)CC(=O)N(C)CC(=O)NC2=C(C=CC=C2Cl)Cl)C 1 3.645 4 3 0 -9.25399896392171 16301734 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl 1 2.284 2 7 0 -17.8980381724204 16301703 C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(C=C5)C#N 1 2.02 4 5 0 -17.0500451290983 16301700 CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC(=O)N4CCOCC4 1 2.072 4 3 0 -15.8894070047394 16301699 COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC(=O)N4CCOCC4 1 1.569 4 4 0 -16.0430620457207 16301671 CCN(CC1=CC(=C(C=C1)OC)F)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.637 2 5 0 -21.4537593008781 16284554 CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C 1 4.05 1 3 -9.90704437606889 16284548 C1CN(CCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=NC=C4)S(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F 1 3.413 4 6 0 -18.7950068144967 16284499 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=CC(=C(C=C3)OC)OC 1 1.896 3 5 0 -13.1531810596912 16284533 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)CCOC3=CC=C(C=C3)C 1 3.406 2 7 0 -14.1601969773192 16284529 CC(=O)C1=CC=C(C=C1)N(CC(=O)NC2CCS(=O)(=O)C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.495 2 6 0 -23.4114616240899 16284527 CCOC(=O)N1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.683 3 5 0 -7.06248503134955 16284526 C1CN(CCN1C(=O)C2=C(C=CC(=C2)Br)O)S(=O)(=O)CC3=CC=CC=C3 1 2.341 2 4 -14.428701098177 16284524 CSC1=CC=CC=C1C(=O)NC2CCCC3=CC=CC=C23 1 4.179 1 1 -11.2370283894182 16284520 COC1=CC(=C(C=C1)CC(=O)N(CC=C)C2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)C)OC 1 3.909 2 5 0 -11.1678731219642 16284518 CCC(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl 1 2.315 2 5 0 -17.4239705469427 16284515 C1=CC(=CC=C1C(=O)NNC(=O)COC(=O)C2=CN=C(C=C2)Cl)Br 1 2.05 3 4 0 -14.1096208374865 16301668 CN(CC(=O)NCC1=CC=CC=C1Cl)CC(=O)NC2=CC=CC=C2Br 1 3.012 3 2 -13.9400203088378 16301655 CC(C1=CC=CC2=CC=CC=C21)NC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C 1 2.894 3 2 -9.06484719869404 16301625 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3C(=O)C4(CCCCC4C)NC3=O 1 2.443 4 6 0 -13.3285910697183 16301619 CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C2CCCN2C(=O)C3=CC=CS3 1 1.534 3 4 0 -18.171085381125 16284417 CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2=CC=CC=N2 1 3.026 2 3 -7.9474885212865 16284421 CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2=CC=CO2 1 3.143 1 4 -5.27265968336754 16301585 CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)SC3=NN=NN3C4CCCC4 1 1.551 6 4 0 -40.9393450040456 16301578 CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NCC3=CC=CC=C3 1 3.43 3 3 -24.5063728390234 16301567 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3CN4CCCC4 1 4.514 3 3 -14.6892601428391 16301536 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CCOC2=CC=CC=C2C 1 1.904 2 6 0 -19.8761354211965 16301529 CC1CCCN(C1)C(=O)CSC2=NN=C3N2C=CC=C3 1 2.19 4 1 -17.504885739946 16284406 CC12CCC(=O)N1C(CS2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 1.177 3 2 0 -4.23900119260132 16284400 CC(C)CN1C(=CC(=O)N=C1SCC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)O 1 4.921 3 3 -14.1588921107743 16284392 COC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.662 2 4 -10.8242899069197 16284378 C1=CC2=C(C=C1NC(=O)COC(=O)/C=C/C3=C(C=CC(=C3)Br)F)NC(=O)N2 1 2.606 3 4 0 -10.7765707010432 16284351 COC1=CC=CC=C1N(CC(=O)NC2=C(C=C(C=C2)Br)F)S(=O)(=O)C3=CC=CS3 1 3.883 2 4 -14.886713324761 16284294 CC(C)C(C(=O)OCC1=CC=C(C=C1)C(=O)OC)NC(=O)CC2=CC=CC=C2 1 3.546 1 5 -17.8624314799025 16284289 CC(C)CN1C(=NN=C1SC(C)C(=O)NC2CC2)C3=CC=CC=C3F 1 3.839 4 1 -14.7237449505322 16284273 CC(C#N)(C1CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC 1 0.431 3 6 0 -19.2212448714419 16284245 C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] 1 2.762 2 5 0 -12.7325824755903 16284235 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 2.84 2 5 0 -14.1178670289662 16284228 CCN(C1=CC=C(C=C1)NC(=O)COC(=O)C(C)NC2=NS(=O)(=O)C3=CC=CC=C32)C(C)C 1 2.685 4 5 0 -17.1881033964541 16284227 CC(C(=O)OCC(=O)N(C)C1CCS(=O)(=O)C1)NC2=NS(=O)(=O)C3=CC=CC=C32 1 -0.416 3 7 0 -23.079069226888 16284207 CCOC1=C(C=C(C=C1)CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)OCC 1 3.897 1 5 -20.4414137153295 16284197 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32 1 3.296 2 5 0 -17.3353143834381 16284195 CC1=NN(C(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F)C3=CC=CC=C3 1 3.303 3 5 0 -14.9643184013195 16284192 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F 1 3.324 3 5 0 -13.0662909376509 16284177 CC1=CC(=C(C(=C1C)S(=O)(=O)NC(C(C)C)C(=O)NCCC2=CC=CO2)C)C 1 4.086 2 4 -19.5190575793708 16284167 C1CN(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)Cl)C3=NC=C(C=C3)C(F)(F)F 1 3.95 2 3 1.42218314822953 16284155 CC(C)CCC1(C(=O)N(C(=O)N1)CC(=O)C2=CC=CN2)C 1 2.17 3 3 -6.02003438697957 16284137 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC3=CC=CC=C3C=C2)C4=CC(=C(C=C4)OC)OC 1 2.588 3 5 0 -9.233612243082 16284113 COC1=CC=CC=C1C(=O)NCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.726 2 3 -20.2642073265582 16284108 CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)NCCCN3C(=CC(=N3)C)C 1 2.749 4 2 -22.0919246594765 16284099 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(C=C2)Br 1 1.821 2 6 0 -18.9938186655739 16284081 C1CN(CCN1CC2=C(C=C(C=C2)Br)F)C(=O)C3COC4=CC=CC=C4O3 1 3.511 2 3 -1.17345657451037 16284072 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSCC3=C(ON=C3C)C 1 1.188 3 5 0 -33.1204408224002 16284055 CC1=CC(=C(C(=C1Cl)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCOCC3)C)Cl 1 2.158 3 4 0 -14.3855922236402 16284047 COC1=CC=CC=C1C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)OC 1 1.828 2 5 0 -18.4625070434308 16284007 CCC1=NN=C(S1)NC(=O)C2CSC3(N2C(=O)CC3)C 1 0.32 4 2 0 -14.6657736724518 16284006 C1CN(CCN1C(=O)C2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F 1 4.008 2 3 -17.8503502897705 16284001 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2CCCO2)C3=CC=CC=C3 1 0.494 3 4 0 -16.3502369982431 16283950 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3CCOC3=O)C 1 1.97 1 6 0 -16.6464755159004 16283949 CCOC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O)OCC 1 2.887 3 5 0 -15.4675108794674 16283920 CCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)N 1 -0.4 5 6 0 -15.9307382999285 16283919 CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)C 1 3.699 4 4 0 -10.0738381053553 16283905 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3C(=O)C)C 1 3.855 2 5 0 -17.775780537425 16283902 C1=CC=C(C=C1)OCCNC(=O)CCCOC2=CC(=CC=C2)Br 1 3.823 1 3 -11.3027076440019 16283884 CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=CC=C(C=C3)OC 1 2.136 4 3 0 -7.45516936226305 16283863 CC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2)NC(=O)C3=C(C=CC=C3F)F 1 2.568 3 4 0 -19.8133610700476 16283843 CC1=C(NC2=C1C=C(C=C2)C(=O)OC(C)C(=O)N(C)C3=CC=CC=C3)C 1 3.937 2 3 -3.24219207762566 16283842 CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 3.044 3 4 0 -11.6123929255995 16283835 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC(C3=NC4=CC=CC=C4N3)C(C)C 1 3.422 4 2 -9.39555125906601 16283830 CC(C)NC(=O)C(C)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.082 3 3 -25.1451373845945 16283820 CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)NC3CCC(CC3)O 1 3.048 1 3 -4.92684088288626 16283808 COC1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)N)S(=O)(=O)N4CCCC4 1 1.453 3 5 0 -20.7381314286216 16301509 CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C(=C(N2)C)C(=O)C)C)S(=O)(=O)N3CCOCC3 1 1.853 3 7 0 -27.9185580273635 16301506 CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N4CCCC4)C)Cl 1 3.857 4 2 -12.4824741247291 16301494 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)C3=C(N(C(=C3)C)CCOC)C 1 3.708 2 5 0 -16.926002642363 16301486 CC(C(=O)NC1CCCC1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C 1 3.25 3 3 -22.3603076730519 16301474 CC(C)COC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC 1 3.232 1 7 0 -28.9393005116399 16283765 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 1.526 3 5 0 -19.6819341431574 16283745 CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O 1 3.044 2 5 0 -21.0965034148676 16283740 CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)C 1 3.704 4 3 0 -10.9215126275224 16301458 CC(CNC(=O)CN(C)CC(=O)NC1=CC=CC=C1Br)C2=CC=CC=C2 1 2.988 3 2 -13.3215714800216 16301371 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NC4=C3C=NN4C(C)C)C5CC5 1 2.979 5 3 0 -23.0524613110757 16301375 C1CN(CCN1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC(=CC=C3)N4C=NN=N4 1 1.389 7 2 0 -19.3398150297564 16301378 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=CC=N3 1 2.02 3 3 -12.1021392417769 16301379 CN1C(=NN=C1SCC(=O)N(C)C2CCCCC2)C3=CC=CO3 1 2.927 4 2 -12.0937406187034 16283729 CC(C1=CC=C(C=C1)F)NCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.62 3 3 0 -10.2496624440405 16283728 CC(C1=CC=C(C=C1)F)OC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.391 2 4 -4.2665886375274 16283723 CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C 1 4.743 2 3 2.96471664268831 16283720 CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 3.606 3 3 -2.17269746051031 16283715 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 3.811 3 3 0.510851127892591 16283714 CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 3.045 4 5 0 -3.63244626404128 16283713 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C 1 3.639 3 3 7.04421460579872e-002 16283701 CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3 1 1.928 2 7 0 -26.0638137589258 16283698 COC1=CC=CC(=C1OC)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.611 1 6 0 -15.0908066549242 16283684 CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3CCCCC3C2=O 1 1.29 2 5 0 -17.6265992965944 16283677 COCCNC1=NN=C(S1)SCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.38 6 5 0 -23.8513250265365 16283670 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CN=C(C=N3)C)C 1 0.917 4 5 0 -23.8150942259523 16283667 COC(=O)C1=CC=C(O1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 3.515 1 7 0 -13.3193128655545 16283619 COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)O)S(=O)(=O)N3CCCCC3 1 2.762 2 7 0 -16.0326912064831 16283610 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OCC4=C(ON=C4C)C 1 3.249 3 5 0 -23.6196933898681 16283604 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)CNC(=O)C2=CC=C(O2)Br)OCC 1 2.337 2 7 0 -22.5186254182067 16283589 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)NCCNC(=O)COC(=O)/C=C/C2=CC(=CC=C2)OC 1 2.211 2 8 0 -9.4576912537586 16283524 CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC=CC=N3 1 3.274 2 1 -11.513806368058 16283504 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4CC4 1 1.208 4 3 0 -5.41108589828138 16283470 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)C2CC2C 1 1.786 2 2 0 -12.4705989497582 16283461 CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3(CCS(=O)(=O)C3)C 1 1.111 2 5 0 -16.8151099589116 16283460 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=CC(=C3)C(=O)N)C)C 1 1.99 2 3 0 -19.8291156381085 16283430 C1=CC=C2C(=C1)C(=NN2)C(=O)OCC(=O)C3=CC(=C(C=C3)F)F 1 3.424 2 3 -14.4963447838275 16283401 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=C(O2)C)N 1 1.73 4 4 0 -8.70821287641843 16283380 CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 2.766 2 7 0 -16.5338756833447 16283379 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)OC 1 3.154 2 6 0 -18.3012449416441 16283361 CCOC(=O)C1CCN(CC1)CC(COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O 1 1.59 3 8 0 -23.4609637579747 16283326 CN(CC1=CC=CC=C1)C(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CS3 1 3.142 2 4 -17.4386504011443 16283297 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC(OC(C4)C)C 1 1.592 3 8 0 -30.99589968478 16283291 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)C#N 1 3.179 3 2 -3.07634932438241 16283274 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.802 3 5 0 -18.8783585831475 16283257 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2)N 1 0.445 4 7 0 -24.5456342297692 16283255 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=C(N=CC=C2)SC)OCC 1 3.245 2 5 0 -23.4276721747365 16283252 CC1=CC=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3 1 1.316 3 4 0 -14.0258102276709 16283251 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)COC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 -0.167 3 6 0 -13.3508318301211 16283250 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 1.508 3 6 0 -9.43468274311375 16283238 CC(C)C(C(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.639 3 2 -12.2743251969267 16283237 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4 1 3.956 3 3 -10.5824765248886 16283232 C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NCCNC(=O)COC(=O)CNC(=O)C2=CC=CC=C2 1 -0.572 4 8 0 -17.3366634691418 16283224 CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)C 1 3.482 1 6 0 -14.8005728861487 16283218 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.746 3 3 -21.738853231977 16283203 C1=CC(=CC=C1/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)[N+](=O)[O-] 1 1.546 4 6 0 -16.6360319635081 16283189 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)CCN3C(=CSC3=O)C 1 1.622 3 7 0 -19.7183362777275 16283110 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2CCCCC2 1 1.973 2 5 0 -14.5732757220169 16283092 CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl)C 1 3.079 3 5 0 -10.7927485043824 16283090 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=NC=C(C=C3N2)Cl)N 1 1.887 6 3 0 -12.4273120014851 16283079 COC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Cl 1 2.558 2 6 0 -20.6012202113978 16283078 C1=CC=C(C=C1)SCC(=O)OCC(=O)NCCNC(=O)COC(=O)CSC2=CC=CC=C2 1 2.096 2 6 0 -13.7363015656111 16283071 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.41 2 6 0 -17.109413953087 16283016 CC1CCCCC1NC(=O)NC(=O)COC(=O)C2=CC(=CN=C2)Br 1 2.3 3 4 0 -15.0595192862228 16283022 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CC3=CC=CO3)CC4=CC=CS4 1 2.137 2 5 0 -25.3783468021118 16283063 CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)NC2=NS(=O)(=O)C3=CC=CC=C32 1 1.602 3 5 0 -15.3296060540845 16283060 CCC1=CC=C(C=C1)CN(C)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.287 3 4 0 -20.5201881662848 16283051 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N 1 2.267 4 3 0 -11.621352232082 16283047 CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OCC=C)C 1 3.908 2 5 0 -18.7048910505353 16282994 CC1=C(C(=CC=C1)NC(=O)CN(CC2CCCO2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C)C 1 2.737 2 5 0 -21.8898743490781 16282843 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)CC(C)C)N 1 1.192 4 6 0 -19.4137268997443 16282785 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OCC3=C(C(=C(C(=C3F)F)F)F)F 1 3.186 2 4 -10.4948216410874 16282716 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COC)OCC 1 3.713 1 7 0 -13.0939386223619 16282694 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-])C 1 2.869 3 7 0 -16.4226926143607 16282702 C1=CNC(=C1)C(=O)COC(=O)CNS(=O)(=O)C2=C(C=C(C=C2)Br)Cl 1 2.502 2 5 0 -8.7459618872716 16282714 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3)N 1 0.821 6 4 0 -17.1468587758552 16282713 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)N 1 2.914 4 4 0 -11.4197436340979 16282676 C1CCN(C(C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3 1 3.578 2 3 -9.99823543995949 16282672 CC(C)C(C1=NC2=CC=CC=C2N1)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.86 5 4 0 -15.1671971109625 16282658 CCOC1=CC=CC=C1OCCC(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C 1 3.392 3 5 0 -13.3626835958832 16282650 CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=CN(C3=CC=CC=C32)C 1 3.511 2 3 -5.908293594567 16282566 COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32)Br 1 2.066 2 5 0 -16.7364268255969 16282559 C1COCCN1C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F 1 1.332 2 6 0 -15.3800624365813 16282558 CC1=CC=C(C=C1)SCC(=O)OC(C)C(=O)N2CCC3=CC=CC=C32 1 3.966 1 3 -12.9251603282401 16282557 CC(C1=CC=C(C=C1)F)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OCC=C 1 3.979 1 4 -13.8309673061002 16282544 CN(C)C(CNC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)OC 1 2.566 4 3 0 -8.18458923242869 16282514 COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC)OC)CSCC(=O)O 1 5.121 0 8 0 -14.9721654490044 16282512 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC2=NC=NC3=C2C=C(C=C3)Br 1 3.047 4 3 0 -6.24523493586582 16282498 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC2=CC=CC(=C2)N3C=NN=N3 1 0.94 6 4 0 -25.4127088845276 16282496 CCOC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3CCCCC3C2=O)OCC 1 2.428 2 5 0 -17.4280614204836 16282466 C1=CC(=CC=C1CCNC(=O)COC(=O)C2=NC=CN=C2N)S(=O)(=O)N 1 -0.726 5 5 0 -20.7680524953332 16282449 CN(CC1=CC=C(C=C1)OCC=C)C(=O)C2CCCO2 1 2.096 1 3 -17.6770033468596 16282419 CCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)N3CCOCC3)N4CCOCC4 1 4.082 3 4 0 -6.05316374740612 16282406 CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NC3CC3)Cl 1 2.093 3 4 0 -18.224440690796 16282389 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 2.913 3 3 -8.87275866755649 16282374 CC(C(=O)NC1CC1)SC2=NNC(=N2)C3=CC=C(C=C3)OC 1 2.595 4 2 -6.50076701781556 16282354 CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)CC2=C(N=C(S2)C)C3=CC=C(C=C3)F)C 1 3.916 3 3 -8.1523948003124 16282350 CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4)C 1 5.14 4 3 0 -7.54893793403789 16282334 CC1=CC(=C(C=C1NC(=O)COC(=O)C2CC(CN2S(=O)(=O)C3=CC=C(C=C3)Cl)O)OC)[N+](=O)[O-] 1 1.824 3 9 0 -17.0651863157015 16282315 C1=CC=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Br 1 3.866 1 3 -7.26871377221585 16282299 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=NN4C(=CC=NC4=N3)C 1 0.92 8 3 0 -13.8620467565418 16282287 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl)OCC 1 4.13 2 5 0 -20.0579143103011 16282246 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)N3CCCCC3)C4=CC=C(C=C4)Cl 1 3.456 4 3 0 -3.8552532598857 16282219 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 2.853 3 4 0 -16.8426952209346 16282218 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl 1 2.188 3 4 0 -18.7467114740492 16282216 CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.528 3 4 0 -19.0033276887695 16282195 CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC=C(C=C2)OCC3CCCO3)N 1 1.34 4 5 0 -13.7326340670011 16282191 CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 4.103 2 4 1.47047032530342 16282183 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)OC)Br 1 1.19 1 6 0 -19.9715792922524 16282181 CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)N3CCOCC3 1 3.069 2 5 0 -17.1785742513919 16282172 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N 1 3.021 3 5 0 -18.7972692553775 16282166 CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=CC2=O)S(=O)(=O)N4CCCCC4 1 2.117 4 4 0 -18.3618187002104 16282155 CC1CN(CC(O1)C)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F 1 2.803 1 4 -7.65558595699207 16282154 CC1CCCN(C1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F 1 3.597 1 3 -4.3354085827295 16282153 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 1.557 4 4 0 -27.1766112982513 16282151 CCCN(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)CC(=O)NC(=O)NC2CCCCC2 1 3.855 4 3 0 -9.36130579268412 16282142 CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CN3C(=O)C4(CCCCC4)NC3=O 1 2.083 5 4 0 -14.7595486562449 16282137 CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C(C)NC2=NS(=O)(=O)C3=CC=CC=C32 1 2.467 2 6 0 -14.5136560695335 16282127 CC1=NC(=C(C=C1)OCC(=O)NC2=C(C=C(C(=N2)C)Cl)Cl)[N+](=O)[O-] 1 3.015 4 4 0 -5.83467746508276 16282126 CCN(C1=CC=CC=C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.756 3 4 0 -27.1130585538457 16282118 CC1CCN(CC1)C(=O)C(C)C2=CC3=C(C=C2)C=C(C=C3)OC 1 3.802 1 2 -6.80611959014213 16282110 CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=C(C3=CC=CC=C3S2)Cl)N 1 2.548 4 4 0 -5.67114636242418 16282104 C1CCN(C1)C(CNC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C4=CC=CO4 1 5.493 3 4 0 -11.4886528602818 16282096 CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br 1 4.64 4 2 -6.99598216954492 16282087 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)OCC(=O)C3=C(C=C(C=C3)OC)OC)(C)C 1 2.613 2 7 0 -13.8143342481026 16282080 C1CC(OC1)CNC(=O)COC(=O)C2=C(C=CC(=C2)Br)O 1 1.61 1 5 0 -12.0230281341096 16282070 CC1CC1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2 1 1.538 1 4 0 -9.50018051978565 16282035 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.356 3 6 0 -16.6413128749285 16282007 CC1=C(C=C(C=C1)S(=O)(=O)NC2CCSC2=O)C 1 1.995 1 3 0 -11.544448065723 16282003 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC(=O)NC4=CC=CC=C43 1 0.342 5 6 0 -14.3191841033382 16282002 CC(C)C1=CC=CC=C1NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl 1 4.494 2 2 -1.41281521994524 16281991 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCC3=CC=CC=C3OC)C 1 2.982 2 6 0 -23.3653494488467 16281985 C1=CC(=C(C=C1C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N)N)Cl 1 1.144 4 6 0 -12.3907243633347 16281938 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)/C=C/C3=CC=C(C=C3)F)C 1 3.18 2 5 0 -14.8478828143326 16281935 COC1=CC(=C(C=C1)C(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl)OC 1 3.297 1 6 0 -10.2745541156928 16281932 COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 0.86 3 8 0 -25.7048603409047 16281905 C1CCC2C(C1)CCCN2S(=O)(=O)C3=C(C=CC=C3F)F 1 3.58 1 2 -2.99242470590309 16281897 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCCCC3 1 3.59 2 3 -16.3063832189364 16281849 CCC1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(CC)CC)N3CCOCC3 1 3.056 3 5 0 -19.186647514162 16281855 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.43 3 4 0 -24.0315669284906 16281867 COC1=CC=CC(=C1)CNC(=O)CN2C(=O)C(NC2=O)(CC3=CC=CC=C3)C4=CC=CC=C4 1 3.259 3 4 0 -10.4720023996597 16281818 CC1CC2=CC=CC=C2N1C(=O)C(C)N3C=C(C=C(C3=O)Cl)C(F)(F)F 1 2.931 2 2 -8.18296786443165 16281815 CC(C#N)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2 1 2.176 3 2 -19.245944732836 16281809 CCC(C1=CC=C(C=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CS3 1 3.185 3 2 -14.9761792829675 16281804 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)N(C)CC2=CC(=C(C=C2)OC)F 1 2.965 3 3 -5.8874111250989 16281802 CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CCN(CC3)C(=O)C4=CC=CO4 1 2.084 5 4 0 -9.78732101761725 16281796 C1CN(CCN1C(=O)C2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.025 2 5 0 -18.3941957990672 16281786 CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2)S(=O)(=O)N3CCOCC3 1 0.801 2 7 0 -30.7533797449086 16281766 CN(CC(=O)NCC(=O)NC1=CC=C(C=C1)F)C2CCS(=O)(=O)C2 1 -0.271 3 4 0 -22.152780791732 16281765 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC4=C(C=C3)NC(=C4C)C 1 2.234 5 5 0 -9.94018300798296 16281737 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3)C 1 1.567 3 6 0 -24.9351964465811 16281711 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NNC(=O)C4=CC=C(C=C4)F 1 1.134 3 5 0 -11.3605480709178 16281680 CC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2F 1 3.214 2 2 -21.0653586202188 16281662 CC1=C(OC2=C1C=CC=C2Cl)C(=O)NC(C)C3=CC=CC=N3 1 3.915 2 2 5.06940277429695 16281646 C1=CC=C(C=C1)OCCOC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-] 1 1.228 3 7 0 -11.0688785983747 16281624 C1CC(CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl)O 1 2.577 2 4 -11.5124724911711 16281620 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4 1 2.425 5 3 0 -10.3743498465564 16281597 CC1=C(C(=NO1)C)C(=O)N(CC2=CC=CO2)CC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F 1 3.134 3 4 0 -16.0626748214712 16281592 CN(C)C(=O)C(C1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.322 3 3 -18.3652291492454 16281589 CCN(C1=CC=C(C=C1)F)C(=O)COC(=O)C2=CN(C3=CC=CC=C32)C 1 3.581 2 3 -9.23361346023323 16281579 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 1.605 4 4 0 -14.5779964360028 16281568 CC(C)N(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)NC(=O)CSC4=NN=NN4C 1 1.515 8 3 0 -28.949248373001 16281528 CC1=CC=C(O1)C(=O)OCC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCCOC 1 1.153 2 8 0 -17.9895979947539 16281524 C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3F 1 2.469 6 2 0 -16.953895464429 16281467 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCCOC3=CC=C(C=C3)Br 1 3.718 2 3 -14.731150132722 16281408 CC1CCCC(N1C(=O)C(C)OC(=O)C2=CC(=O)NC3=CC=CC=C32)C 1 2.49 2 4 -15.9055849407246 16281379 CN(CC(=O)NC1=C(C=C(C=C1)Cl)F)C2CCS(=O)(=O)C2 1 1.334 2 3 0 -14.6841600159175 16281374 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C 1 2.255 3 6 0 -21.4876869460311 16281366 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl)C 1 3.166 3 5 0 -16.5978898484119 16281361 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)CCNS(=O)(=O)C3=CC=CC=C3 1 2.662 3 5 0 -19.9383362790778 16281359 CC1=CSC(=O)N1CCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 -0.188 3 6 0 -19.9542465011424 16281353 CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC2CCOC2=O)[N+](=O)[O-] 1 0.607 2 8 0 -14.8289263108249 16281350 CC(C(=O)NC1=C(C=CC(=C1)OC)OC)OC(=O)C2=CC3=CC=CC=C3N2 1 3.358 2 5 0 -6.61321821808379 16281348 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F 1 3.229 2 6 0 -7.49922631408997 16281343 COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.89 2 6 0 -28.2547613340129 16281332 CNC(=S)N(CCCN1C=CN=C1)CC2=C(C=CC=C2Cl)F 1 3.451 4 0 -6.60166358130664 16281317 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3CC3)CC4=CC=CS4 1 1.659 4 3 0 -28.7602391302877 16281313 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCCOC 1 1.875 4 6 0 -28.9036717587488 16281309 C1CN(CCN1CC(=O)NCC(=O)NC2=C(C(=C(C=C2)F)F)F)C3=CC=C(C=C3)O 1 2.02 4 3 0 -5.96357242059875 16281297 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NCC2=CC=CC=C2 1 3.384 1 4 -12.8453863358925 16281285 CC1=C(SC(=C1C(=O)OCCOC)NC(=O)CSC2=NC=NN2)C(=O)N 1 0.6 5 5 0 -25.2782790923826 16281269 CCC1(C(=O)N(C(=O)N1)CC(=O)N2CCC3=CC=CC=C32)C4=CC=C(C=C4)OC 1 2.5 3 4 0 -12.1955493249929 16281236 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC(=CC(=C3)OC)OC)[N+](=O)[O-] 1 2.315 4 6 0 -15.7122864593918 16281235 C1CN(CCN1C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F 1 3.434 2 3 -17.4912050713844 16281219 CC(C(=O)NNC(=O)C1=CC=CC=C1Cl)NC(=O)C2=CC=CC=C2 1 2.079 3 3 -14.554659774734 16281203 CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N 1 2.787 2 5 0 -17.6973138202838 16281200 CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N 1 2.736 3 4 0 -22.3357545665799 16281152 CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)C)C 1 2.786 3 5 0 -25.1659775259096 16281151 CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CN=C(C=C3)OC)Cl 1 2.21 3 5 0 -22.0524973773716 16281142 COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC(=CC=C3)S(=O)(=O)C)C4=CC=CC=C4)OC 1 4.007 1 5 -23.3505557641859 16281141 CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.874 4 4 0 -21.8768189900955 16281126 CC(COC)NC(=O)CN1C2=CC=CC=C2N=C1SCC3=CC=CC=C3 1 3.524 3 2 -19.7017232906285 16281082 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F 1 3.29 3 4 0 -13.8046418068395 16281061 CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 3.085 2 7 0 -10.134318592877 16280989 CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C 1 2.826 3 6 0 -18.2778977584408 16280987 CC1=C(SC(=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C)NC(=O)C)C 1 1.465 3 5 0 -17.6170623809506 16280982 CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NN=C(N3C)COC4=CC=C(C=C4)OC 1 3.197 5 4 0 -12.6967076779149 16280958 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.596 2 4 -7.76096859998356 16280954 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 1.097 4 7 0 -14.078052422616 16280931 CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)COC(=O)/C=C/C3=CC=CO3 1 3.244 2 6 0 -22.8863256532786 16280922 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CC3=CC=CC=C3)C 1 2.542 2 5 0 -19.2870758121132 16280917 COC1=CC(=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)OC 1 2.652 2 8 0 -9.69013143280514 16280910 CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CC4=CC=CC=C4O3 1 3.25 2 5 0 -6.38233755484257 16280902 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)OCC 1 0.974 3 7 0 -19.6218632753031 16280893 CSC1=CC=CC(=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.452 2 5 0 -17.8323626799066 16280877 CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.796 3 6 0 -14.9419987767513 16280850 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC3=C(C=CC=C3Cl)F 1 3.034 2 5 0 -25.2703387765604 16280844 CC(C)C(C1=NC2=CC=CC=C2N1)NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 3.63 4 2 -14.010484460223 16280841 CC(C)C(C1=NC2=CC=CC=C2N1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC 1 3.23 4 4 0 -13.9085228029796 16280839 CC(C(=O)NC1CCCC1)OC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.014 2 4 -16.4089997760034 16280811 CC1CCCCC1NC(=O)CSC2=NN=C(N2C)C3=CC=CO3 1 3.041 4 2 -16.4750641439256 16280799 CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2=NNC(=O)CC2 1 1.145 3 5 0 -21.958754530179 16280790 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F 1 1.925 6 3 0 -14.1206985099728 16280777 CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl)C 1 3.228 3 5 0 -15.4189171585107 16280776 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 1.996 4 7 0 -15.7864470360088 16280732 CC1CCN(CC1)C(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2 1 1.987 2 3 0 -24.8754328754552 16280725 CC1=CC(=CC(=C1O)C)CNC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 1.328 3 6 0 -9.80375399677885 16280630 CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2=CC=CC=C2NCCO 1 1.575 4 4 0 -19.5277354565429 16280567 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N 1 2.725 6 3 0 -9.75842362800173 16280566 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COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC(=O)C=C(N3)N 1 -0.622 7 5 0 -17.3700503693515 16279881 COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CC3 1 2.172 2 3 -13.7175317545702 16279843 COC1=CC=CC=C1CNC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 2.657 3 4 0 -6.08214721378739 16279831 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC(C2=CC=CS2)N(C)C)C 1 2.619 3 3 -13.7022466903453 16279826 CN(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C2CCS(=O)(=O)C2 1 1.792 2 3 0 -15.0539850926948 16279788 CC1CC(CN(C1)C(=O)COC(=O)C2=CN(C3=CC=CC=C32)C)C 1 3.006 2 3 -11.7132399941028 16279786 CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=NC3=CC=CC=C3C=C2 1 3.284 2 3 -11.8430168319191 16279769 C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)F 1 3.725 2 4 -0.883306935522093 16279754 CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.367 3 5 0 -26.1945226239043 16279745 CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NCC2=CC=CO2)[N+](=O)[O-] 1 0.709 3 8 0 -22.5379132773949 16279740 CCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 0.408 5 5 0 -26.1439518108634 16279734 CC1=CC(=C(C=C1Cl)OC)NC(=O)CC2C(=O)N=C(S2)N3CCOCC3 1 2.353 3 4 0 -14.7846752671398 16279719 COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CN3 1 2.113 3 2 -6.60525913545257 16279689 CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)OC)C(=O)C 1 2.603 3 5 0 -17.8291997226608 16279680 CC1=C(C(=NN1CC(=O)N(C)C2CCS(=O)(=O)C2)C)S(=O)(=O)N(C)C 1 -1.202 4 5 0 -23.7104802483356 16279669 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3 1 3.044 3 3 -24.2724166071947 16279656 CC1=CC=CC=C1C(C)NC(=O)COC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 1.998 2 4 0 -13.359503546528 16279651 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 4.469 4 2 -8.25155548620116 16279645 CC(C(=O)N)SC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3 1 2.937 3 2 -14.3246320688369 16279629 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.98 2 6 0 -8.15003701876271 16279621 CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(CNC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O)O 1 3.281 2 6 0 -7.24543520755379 16279602 C1CN(CCN1C(=O)CC2=COC3=C2C=CC(=C3)O)S(=O)(=O)C4=CC=C(C=C4)Br 1 2.672 2 5 0 -18.1250219571416 16279593 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)C3=CC=CC=C3Cl 1 2.286 3 4 0 -26.840300673441 16279589 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)C 1 1.628 5 4 0 -13.2881326055905 16279583 CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2)OC3=CC=C(C=C3)Cl 1 3.121 3 4 0 -8.73321652870239 16279581 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC3=C(S2)CCC(C3)CC)N 1 2.455 4 4 0 -8.83885698934372 16279578 CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NC2CCSC3=CC=CC=C23 1 2.606 1 3 -14.0165738495635 16279559 CSC1=CC=CC=C1C(=O)NC2CCSC3=CC=CC=C23 1 3.614 1 1 -13.8447521579736 16279552 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.109 3 6 0 -17.5651253610998 16279540 CCC1CCCCN1C(=O)COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3 1 3.944 1 4 -18.147711278384 16279522 CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=NNC3=CC=CC=C32 1 2.772 4 5 0 -17.394624487386 16279511 CC1=CC=CC(=C1O)C(=O)OC(C)C(=O)NCC2CCCCC2 1 3.662 1 4 -7.36514837071178 16279510 CC(C(=O)NC1CCCC2=CC=CC=C12)OC(=O)C3=CC(=CC(=C3)OC)OC 1 3.795 1 5 -11.5626780358516 16279509 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCCOC3=CC(=CC=C3)Cl 1 3.272 1 6 0 -20.5790903913058 16279501 CC(C)CCCC(C)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3 1 3.792 3 4 0 -29.4325102015788 16279496 CC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)O)OC 1 4.28 0 6 -7.71617824162208 16279493 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN(C(=O)N(C3=O)C)C 1 -0.495 5 5 0 -23.7465926094301 16279492 CN1C(=O)C(=NN(C1=O)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 -0.251 5 5 0 -19.5376500461714 16279461 C1CS(=O)(=O)CC1NC(=O)COC(=O)CC2=C(C=CC=C2Cl)F 1 1.157 1 5 0 -18.7425639377278 16279445 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OCC 1 2.412 2 6 0 -28.7472195362236 16279441 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl 1 2.873 3 4 0 -27.3135343403817 16279438 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)NC(=O)C4=CC=C(C=C4)C(F)(F)F 1 3.441 3 4 0 -15.4309456869047 16279437 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)NC(=O)C4=CC=C(C=C4)F 1 2.704 3 4 0 -18.3148355487717 16279436 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC(C)C3=CC=CC=C3OC 1 3.503 2 4 -25.2575461913198 16279412 CCOC1=CC=CC=C1C(=O)NCC(=O)OCC2=CSC(=N2)CC(=O)NC3=CC=C(C=C3)C 1 3.044 3 5 0 -18.1564106263847 16279370 CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2CCCCC2)S(=O)(=O)N3CCCCC3 1 3.608 2 5 0 -25.126671455718 16279363 CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 3.845 2 6 0 -15.5681711861262 16279358 CCOC1=C(C=CC=N1)C(=O)OC(C)C(=O)NC2CCCCC2 1 2.808 2 4 -15.7743568792412 16279353 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NNC(=O)N2CC3=CC=CC=C3 1 2.441 5 3 0 -16.3338655031791 16279350 CCOC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 3.618 2 4 -1.50796195457441 16279323 CC1=CC(=C(C(=C1Cl)S(=O)(=O)OC2=CC=CC=C2NC(=O)CCC(=O)O)C)Cl 1 4.231 1 6 0 -12.273529997182 16279321 C1=CC(=CC(=C1)OS(=O)(=O)C2=C(C=CC(=C2)Br)Br)C(=O)O 1 4.091 0 5 -8.58991992447897 16279296 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.402 3 7 0 -19.3076226963922 16279295 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F 1 1.601 4 5 0 -17.2626898931258 16279293 CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NCC2=CC=CS2)[N+](=O)[O-] 1 1.267 3 7 0 -23.2326784450295 16279276 CCN(CC)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 3.526 4 3 0 -4.63631527917315 16279274 CCN(C1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C(C)C 1 3.904 4 3 0 -3.52147845488381 16279266 CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CN3C=C(C=CC3=N2)Cl 1 3.762 3 3 -18.9978991177433 16279246 CN(OC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2CCSC3=CC=CC=C23 1 2.036 2 4 -15.6496624409261 16279238 CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.676 3 5 0 -24.1642578846427 16279225 C1=C(C=NC=C1Br)C(=O)OCCCOC(=O)C2=CC(=CN=C2)Br 1 2.447 2 4 -5.76170041838989 16279141 CCC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 3.546 2 4 -19.2313663504677 16279124 CC1CCN(CC1)C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.187 3 3 -27.0039385349125 16279119 COC1=C(C=CC(=C1)C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)OC(F)F 1 4.075 2 5 0 -3.3532728238322 16279116 COC1=CC(=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)OC 1 3.253 2 5 0 0.921017097107981 16279090 CCC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=C(C=C2)OC)C3=CC=CC=C3 1 2.226 3 4 0 -12.5036726957232 16279089 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2CCCC2)C3=CC=CC=C3 1 2.061 3 3 -10.0769373761765 16279085 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)S(=O)(=O)C4=CC=C(C=C4)C#N 1 2.65 3 2 -4.7862760374202 16279071 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCC2CCCCC2)N 1 3.217 4 3 0 -14.1909948482917 16279069 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC(C)C)N 1 2.425 5 4 0 -14.3458014234384 16279068 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCNC(=O)C2=CC=C(C=C2)Cl)N 1 2.025 5 4 0 -16.7944339960702 16279034 C1CN(CCC1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 3.037 3 5 0 -20.6748277389844 16279028 CC1=CC(=CC=C1)OC(C)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 1.916 2 5 0 -13.7308711484054 16279015 CC1CCCN(C1)C(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 2.515 2 3 -11.2751478207811 16278991 CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC=C2OC)NC(=O)C3=CC=CO3 1 2.025 3 6 0 -17.3473224645422 16278987 CCOC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2=CC=CC=C2Cl)S(=O)(=O)N3CCCC3 1 2.733 3 5 0 -25.4039215078142 16278985 CCC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 3.53 2 5 0 -18.9783913842876 16278981 CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=NC=CN=C3 1 1.771 5 5 0 -7.71938749118032 16278978 CC1=CC(=CC(=C1C[N+]2=CC3=CC=CC=C3C=C2)C)C(C)(C)C.[Cl-] Cl- 1 6.299 1 0 9.24007491522044 16278969 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3 1 2.241 2 7 0 -14.5628453409412 16278964 CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 3.422 2 5 0 -18.7536270663485 16278953 COC1=C(C=C(C=C1)CNC(=O)COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)N)OC 1 2.006 3 6 0 -17.5732490276138 16278950 CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)Cl)OCC(=O)N3CCOCC3 1 2.461 2 7 0 -21.186102857289 16278904 CN(C)C(=O)CSC1=NC(=C(N1)C2=CC=CS2)C3=CC=CS3 1 3.729 3 1 -7.44729313239578 16278902 C1CN(CCC1C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl)C3=NC=C(C=C3)C(F)(F)F 1 3.338 3 3 -1.50322151909609 16278897 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)N3CCCC(C3)C 1 3.601 1 5 -1.92694633175867 16278890 COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC=C2F)F)S(=O)(=O)N3CCOCC3 1 1.516 2 6 0 -12.9539724607603 16278873 CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CN(C)C2CCS(=O)(=O)C2 1 0.758 3 4 0 -25.2829568415046 16278843 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)F 1 3.025 4 4 0 -6.13684634056451 16278837 CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC=CC=C2C(=O)N(C)C3CCCCC3 1 4.16 3 4 0 -15.7566962698372 16278813 CC1=C(C(=NO1)C)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(=O)N 1 0.69 3 5 0 -18.6135009553022 16278808 C1=CC=C(C=C1)C(=O)CCCOC(=O)C2=C(C=C(C=C2)O)O 1 3.026 0 5 -2.28462975730232 16278763 CC(C)C(C(=O)N1CCCC1)NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.492 2 2 -15.3269945832181 16278745 CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.936 2 5 0 -20.1711175755408 16278689 CC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 2.849 2 4 -5.48880680919456 16278673 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C(=O)N)C 1 2.462 4 4 0 -15.9057922527426 16278656 CC(C(=O)NC1CCCC2=CC=CC=C12)OC(=O)C3=CC(=C(C=C3)OC)OC 1 3.795 1 5 -14.46542818741 16278623 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO 1 1.063 4 8 0 -23.2904758134931 16278596 CC(C)C(C(=O)N1CCOCC1)NC(=O)C2=CC=C(C=C2)F 1 1.524 2 3 0 -19.1160166708078 16278567 CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3(CCCCC3)C#N 1 2.903 3 3 -10.2504685719111 16278564 CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)N3CCCCC3 1 2.367 2 3 -9.77762826801522 16278563 CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)N(C)C3CCCCC3 1 3.308 2 3 -9.85676621904987 16278562 CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3CCCCC3 1 3.102 2 3 -11.1187159342411 16278560 CC1CCCC(C1C)NC(=O)COC(=O)C2=CN(C3=CC=CC=C32)C 1 3.673 2 3 -12.0259821600803 16278528 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CN2C3=CC=CC=C3N=CC2=O 1 0.853 6 4 0 -11.5531987624321 16278519 C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(F)(F)F)OC1 1 2.618 2 5 0 -16.7035415100456 16278513 CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)C(C)NS(=O)(=O)C3=CC=C(C=C3)C 1 3.385 3 5 0 -17.785910645327 16278511 CC1=C(C=C(C=C1)C(=O)COC(=O)C2CC3CCCC(C2)C3=O)[N+](=O)[O-] 1 3.37 1 6 0 -11.0415045321678 16278390 CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.019 4 6 0 -19.6329194931856 16278388 CCN(C1=CC=CC=C1)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.509 4 3 0 -19.5277930936352 16278366 C1CN(CCC1C(=O)OCC(=O)NCC2=CC=C(C=C2)F)C3=NC=C(C=C3)C(F)(F)F 1 2.879 3 3 -3.19286276280997 16278352 CC1=CC=CC(=C1C)C(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2 1 4.065 1 3 -11.5870548625795 16278345 C1=CC(=CC=C1CCNC(=O)COC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N 1 1.284 3 7 0 -19.9242398092809 16278337 CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3CCCC3 1 2.646 2 3 -10.764247420073 16278336 CCN(C1=CC=C(C=C1)F)C(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 3.111 3 3 -6.3957745760046 16278316 COC(=O)C1=CC=C(C=C1)C(=O)NC2CCSC3=CC=CC=C23 1 2.928 1 3 -10.983514233956 16278296 CC1=C(SC2=NC=NC(=C12)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O)C 1 3.058 4 3 0 -0.66731693782729 16278294 CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)SC2=NN=C(N2CC=C)C3CC3 1 3.855 4 1 -14.1938656076712 16278272 C1=CC=C(C(=C1)C(F)(F)F)N2C=C(C(=N2)C(=O)OCC(=O)C3=CC=C(C=C3)OC(F)F)O 1 5.102 2 5 0 -4.20918283924011 16278253 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)C3CCCO3 1 0.744 2 6 0 -20.9864140407601 16278221 CC(C(=O)NC1(CCCCC1)C#N)SC2=NC=CN2C 1 2.209 4 1 -8.34099936195172 16278213 CC(C(=O)NC1CCSC2=CC=CC=C12)OC3=CC=CC=C3 1 3.392 1 2 -10.3287132786278 16278199 CNC(=O)COC(=O)C1=CC2=C(C=C1)N3CCCC3C(=O)N2 1 0.31 3 4 0 -16.4334596046621 16278195 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCC3=CC=CC=C3 1 1.808 2 4 0 -6.3159459354275 16278194 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCC2CCCC2 1 3.15 2 5 0 -22.1927749624554 16278188 CN(CC(=O)NC1=C(C=CC(=C1)Cl)C#N)C2CCS(=O)(=O)C2 1 1.007 3 3 0 -17.4387786359547 16278145 CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F)SC3=CC=CC=C3 1 2.911 2 3 -19.2426995174625 16278121 C1CN(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)Br)C3=NC=C(C=C3)C(F)(F)F 1 4.034 2 3 -3.44765968719126e-002 16278074 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.019 4 2 -7.88519383359507 16278079 CC1(C(=O)N(C(=O)N1)CC(=O)NNC(=O)C2=CC(=CC=C2)Cl)C3=CC=CC=C3 1 1.633 4 4 0 -8.38975644851364 16278080 CC1=NC=C(N=C1)C(=O)NC2CCSC3=CC=CC=C23 1 1.483 3 1 0 -13.7839559811202 16278081 COC1=NC=C(C=C1)NC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F 1 3.396 2 2 -1.6852571900582 16278082 COC1=NC=C(C=C1)NC(=O)COC2=CC=CC(=C2)C(F)(F)F 1 2.764 2 3 -4.02919018188381 16278086 CCCN(C1CCS(=O)(=O)C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC)C 1 2.787 2 6 0 -25.8484496299762 16278110 CC(C)N(C(C)C)C(=O)CN1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2 1 1.692 3 4 0 -10.1586249353879 16278104 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2CCCO2)N 1 0.721 4 4 0 -18.8073552719269 16278103 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3CC4CCC3C4 1 2.195 2 4 -16.083976138318 16278042 CCC1CCC2=C(C1)C=C(S2)C(=O)NNC(=S)NCC3CCCO3 1 3.823 3 2 -15.8341148514297 16278037 CC1=CC=C(C=C1)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.136 3 4 0 -26.3372749063197 16278035 COC(=O)C1=CC(=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C(=O)OC 1 1.8 2 10 0 -20.9730409191669 16278018 C1=CSC(=C1)CC(=O)OCC(=O)NCC(=O)NC2=CC=C(C=C2)F 1 1.575 2 4 0 -16.0061962463508 16278015 CCOC1=CC=C(C=C1)OCCNC(=O)C(C(C)C)NC(=O)C2=C(C=CC=C2F)F 1 3.8 2 4 -19.7438619629334 16278014 CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=C(N=C2)Cl)Cl 1 3.2 2 3 -11.6224488997413 16278000 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NNC(=N2)C3=CC=CS3 1 2.772 5 2 0 -10.2522413213907 16277998 CCOC1=CC=CC=C1NC2=NN=C(S2)SC(C)C(=O)NC3CC3 1 2.666 4 2 -14.6218636133057 16277989 COC1=CC=CC(=C1)CC(=O)NC2CCSC3=CC=CC=C23 1 3.091 1 2 -9.93800989699812 16277987 COC1=CC(=CC(=C1)C(=O)NC2CCSC3=CC=CC=C23)OC 1 3.04 1 3 -11.1305099196979 16277985 C1CSC2=CC=CC=C2C1NC(=O)C3=CC(=CC=C3)Cl 1 3.737 1 1 -5.97203024896246 16277976 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4 1 2.284 6 2 0 -17.5256953007144 16277970 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC4=C(C=C3)N=CS4 1 3.213 3 4 0 -12.9949810594414 16277962 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)OC)[N+](=O)[O-] 1 2.495 4 5 0 -15.0730413788884 16277909 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=CC=C3S(=O)(=O)C 1 2.614 2 6 0 -23.805767708682 16277903 CC1(C(=O)N(C(=O)N1)CC(=O)C2=CC=CN2)C3=CC4=C(C=C3)OCCO4 1 1.503 3 5 0 -7.1888472081497 16277902 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=CC=C(O3)Br 1 0.442 3 6 0 -27.3111255798095 16277893 CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=COCCO2)C 1 1.56 1 7 0 -11.4758550426429 16277891 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC(C)C(=O)NCC3CCCCC3 1 3.938 2 5 0 -24.8482748854771 16277886 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2 1 2.433 3 5 0 -21.0892818441529 16277877 C1=CC(=C(N=C1)[N+](=O)[O-])OCC2=C(C=C(C=C2)Br)F 1 3.633 2 3 1.30514267972027 16277834 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4 1 2.755 3 4 0 -6.32139417210238 16277813 CC1=CC(=C(C=C1)CN(C)C(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4)C 1 4.132 3 3 -9.39985349468857 16277806 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NCCCCC2)OC3=CC(=CC=C3)Cl 1 3.722 3 4 0 -15.3672232794943 16277799 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br 1 1.759 6 5 0 -18.3369096336637 16277796 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-] 1 3.038 2 6 0 -16.0644837732177 16277792 CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=NN3C(=CC=NC3=N2)C 1 1.497 6 5 0 -17.9865206453789 16277791 CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)N(C)C3CCS(=O)(=O)C3 1 2.582 4 3 0 -18.3662113241761 16277789 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2CCC2 1 1.993 2 5 0 -19.2746376323044 16277786 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C(C(C)C)NC(=O)C3=CC=CC=C3 1 2.512 5 4 0 -20.0086823682581 16277783 CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CN4C=CC=CC4=N3 1 2.002 6 3 0 -12.5111432819616 16277777 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CC4=CC=CC=C4 1 3.151 4 3 0 -17.5261498163192 16277770 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)CC2=CSC=C2 1 1.504 2 4 0 -15.7884621315859 16277725 CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)CC3=CC(=CC=C3)C(F)(F)F 1 4.629 2 3 -5.86547165503468 16277711 CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 3.095 4 4 0 -23.9845258587877 16277677 CC1CCC(CC1)NS(=O)(=O)C2=CC=C(S2)Cl 1 3.096 1 2 -5.12093224021593 16277663 CC(C1CC2CCC1C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)C 1 2.723 1 3 -12.1159235233754 16277658 CC1=C(C(=NO1)C)C(=O)NCC2COC3=CC=CC=C3O2 1 1.383 2 4 0 -12.1539048360623 16277642 CC(C)N(CCNC(=O)C1=CC=C(C=C1)OCC2CCCO2)C(C)C 1 2.971 2 3 -12.3382498420012 16277638 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCNC(=O)C3=CC=C(C=C3)Cl 1 2.098 5 4 0 -13.9257123054434 16277633 CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 3.489 2 3 -24.0854452932077 16277592 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.842 3 6 0 -27.2736396225449 16277517 COC1=CC=CC=C1C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC=CC=C2OC 1 1.276 2 8 0 -13.515852567775 16277487 CC(C)[C@@H](C(=O)OCC1=NC(=O)C2=C(N1)C=CS2)NC(=O)C3=CC=CC=C3Br 1 3.289 3 4 0 -19.9723730644901 16277451 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 1.268 4 5 0 -21.9050836540556 16277436 CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)N3CCCC3 1 1.911 2 3 0 -9.42315975384714 16277422 CC(C)C(C(=O)NC1=CC=C(C=C1)NC(=O)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.61 3 6 0 -25.0190702444603 16277418 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CC3=COC4=C3C=CC(=C4)OC 1 1.282 4 7 0 -9.94768138471604 16277370 CC1CCCN(C1)C(=O)CSC2=NN=C(O2)C3=C(OC=C3)C 1 1.964 3 3 0 -16.5181229093769 16277349 COC1=CC=C(C=C1)CNC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 5.211 1 1 3.32817202763026 16277334 CN(C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3 1 2.531 3 8 0 -18.3402911447053 16277330 CC1=C(C(=NN1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N 1 0.282 5 4 0 -16.7915884423766 16277328 CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N(C)C2CCCCC2 1 7.9e-002 3 4 0 -9.11499302737235 16277312 CC(C(=O)NCC(=O)NC1=C(C(=C(C=C1)F)F)F)SC2=NC(=O)C=C(N2)N 1 1.031 5 3 0 -18.9544777355799 16277301 CC1=CC=CC=C1NC(=O)C(C)SC2=NC(=CS2)C 1 3.258 2 1 -13.2275811035432 16277254 CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=CC2=O)S(=O)(=O)N4CCOCC4 1 0.888 4 5 0 -20.3200014216601 16277250 CC(C(=O)N1CCC2=CC=CC=C21)N3CCN(CC3)CC4=CC=C(C=C4)Cl 1 3.926 3 1 -8.267782583666 16277230 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC3=CC=CS3 1 2.117 2 5 0 -25.7959664932519 16277224 CCOC1=CC=CC=C1N2CCN(CC2)CC(COC3CCCC4=CC=CC=C34)O 1 4.239 2 3 -3.18572970899085 16277213 CC(C1=CC2=CC=CC=C2C=C1)NC(=O)C3=CC(=C(C(=C3)Cl)O)OC 1 4.313 1 3 -3.8803438312892 16277192 CN(C)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCOCC2 1 -0.17 3 4 0 -23.6820163001176 16277175 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCCC3=CC=CC=C3 1 3.002 2 3 -15.2844094017361 16277170 CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=CC=C(C=C3)F 1 1.52 4 2 0 -5.45554990004532 16277168 CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)S(=O)(=O)N4CCCCC4 1 3.507 3 4 0 -16.5266757269962 16277154 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC(=C(C=C2)OC)OC 1 0.72 3 6 0 -24.3984192828042 16277145 CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=C(C=C2)OCC 1 0.195 2 6 0 -24.9917425831406 16277126 CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl)C 1 3.039 3 4 0 -18.8784208003238 16277106 CC1=C(C=C(C=C1OC)C(=O)NNC(=O)C2=CC(=NN2)C3=CC=CC=C3)OC 1 3.007 4 4 0 -3.48105036563608 16277087 COC1=CC(=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC4=C(C=C3)OCO4)OC 1 1.936 1 7 0 -6.69522639151093 16277081 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C4=CC=CC=C4N=CC3=O 1 1.631 4 4 0 -19.8767034359274 16277080 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C4=CC=CC=C4N=CC3=O 1 0.402 4 5 0 -21.8348861573772 16277072 COC1=CC=C(C=C1)CCNC(=O)C2=CC=CN3C2=NS(=O)(=O)CC3 1 0.592 3 4 0 -12.7615056766766 16277065 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C 1 2.243 5 4 0 -13.5462142969519 16277064 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=NN(C(=O)CC2)C3=C(C=CC(=C3)C)C 1 2.317 6 4 0 -16.2976935095077 16277024 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCCOC2=CC=CC=C2 1 2.848 2 6 0 -23.2505809603284 16277023 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=NN4C(=CC(=NC4=N3)C)C 1 1.203 8 3 0 -13.8905629372365 16277022 C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5 1 1.232 6 3 0 -14.1638268726013 16277006 CC1CCCCN1C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 1 2.86 2 3 -12.5481034626449 16277003 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)N(CC(C)C)C3CCS(=O)(=O)C3 1 0.445 5 5 0 -26.4289975164905 16276999 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCC(=O)C2=CC=CS2 1 2.352 2 6 0 -26.7335104727062 16276996 CCCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 0.864 5 5 0 -26.7316834319755 16276973 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC(F)F 1 3.066 2 5 0 -8.40594131270431 16276957 CC1=NN(C(=C1C(=O)OC(C)C(=O)N(C)C2CCCCC2)Cl)C3=CC=C(C=C3)F 1 4.467 3 3 -5.32184614846093 16276942 CC1=CSC(=O)N1CC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 -1.22 4 6 0 -18.6814559329316 16276941 COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=CC(=C(S2)Br)Br 1 3.582 1 4 -13.1323848907185 16276901 CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 1.898 5 3 0 -23.181199687946 16276856 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2CCS(=O)(=O)C2 1 0.822 1 6 0 -18.1162325730324 16276855 CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.699 5 3 0 -22.7861295769679 16276811 CCN(C1=CC=CC=C1)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.24 3 4 0 -22.0591093714367 16276809 CC(C)CCNC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCOCC2 1 0.985 4 5 0 -31.294504387001 16276803 CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)OC 1 3.673 1 5 -16.1916605829039 16276780 CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)C(C)OC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 3.325 2 4 -6.51067242554315 16276757 COC1=C(C=C(C(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-])OC 1 2.015 3 7 0 -13.4620581696793 16276755 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CSC3=CC=CC=C3 1 1.222 4 6 0 -13.3809950283166 16276733 CC1=CC=C(C=C1)OCCNCC(COC2=CC=C(C=C2)CCC(=O)C)O 1 3.245 1 4 -4.48601302999966 16276726 CC1=C(C=C(C=C1OC)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4)OC 1 1.722 3 7 0 -20.6280971619402 16276725 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CCCOC2=CC=CC=C2OCC 1 2.086 3 5 0 -21.9687330553506 16276697 CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2OCC)N 1 0.301 4 7 0 -21.8486365821551 16276692 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)CC2=CNC3=CC=CC=C32 1 3.815 3 2 -8.73229397137083 16276690 COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.028 3 7 0 -23.8462654282819 16276677 C1CS(=O)(=O)CC1N(CC2=CC=CO2)C(=O)C3=C(C=C(C=C3)F)Cl 1 2.386 1 4 -10.240613661117 16276671 C1CC(OC1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N 1 0.672 3 3 0 -19.4522045496066 16276670 COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3CCCO3 1 0.777 2 4 0 -17.4593418228661 16276669 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3CCCO3 1 1.28 2 3 0 -16.8264653999359 16276663 CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)NC2=C(C=CS2)C(=O)N 1 1.761 3 3 0 -21.289192729683 16276646 CC1=CC=C(S1)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC=C(S2)C 1 1.506 2 6 0 -12.9662312268389 16276641 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3CCCO3 1 -9.e-002 3 5 0 -22.397499532259 16276235 CCC1=NOC(=C1C(=O)NC2=NC3=C(C=C(C=C3S2)C)C)C 1 3.761 3 2 -10.7080002654815 16275938 COC1=CC=CC(=C1)CNC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.89 2 5 0 -13.6640414268453 16275948 CSCCC(C(=O)OCC(=O)NCC1=CC=CO1)NC(=O)C2=CC=C(C=C2)Cl 1 2.046 2 5 0 -25.8922976993808 16275976 COC1=C(C=C(C=C1)C(=O)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-] 1 3.368 4 4 0 -7.14974664001218 16275962 CC(C)C(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=C(C=CC=C2F)F 1 2.445 3 4 0 -23.968484648952 16275959 C1=CC(=CC=C1C(=O)NNC(=O)COC(=O)C2=C(C=CC(=C2)Br)O)[N+](=O)[O-] 1 1.979 3 7 0 -9.63483260718932 16275910 CC1CCCC(N1NC(=O)CC2=CC=CC=C2)C 1 2.459 2 1 -6.41209444062007 16275884 COC1=C(C=C2C=[N+](C=CC2=C1)CC3=CC=C(C=C3)[N+](=O)[O-])OC.[Cl-] Cl- 1 3.788 2 4 2.91675514927055 16275866 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 0.634 4 5 0 -26.5796108305377 16275848 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=CC=CN3 1 2.084 2 4 -9.78338294767286 16275847 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 2.519 3 4 0 -10.5403988267147 16275805 COC1=CC(=C(C=C1)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)OC 1 3.832 3 3 -6.35380466205484 16275774 CC(C1=CC=C(C=C1)Cl)NC(=O)COC2=C(N=CC=C2)[N+](=O)[O-] 1 2.781 3 4 0 -8.37619409391763 16275761 CC1(C(=O)N(C(=O)N1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O)C3=CC=CC=C3 1 2.123 3 6 0 -5.23970962087042 16275758 C1=CC(=CC=C1C(=O)NNC(=O)COC(=O)C2=C(C=CC(=C2)Br)O)Cl 1 2.749 2 5 0 -5.71843612924527 16275741 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 0.949 7 5 0 -13.4601498537825 16275700 C1CC(C2=CC=CC=C2C1)NC(=O)CCC3=CC=CC=C3 1 4.128 1 1 -10.2688162915617 16275643 CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 2.715 2 5 0 -23.6049568557815 16275619 CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C 1 0.517 5 7 0 -31.4487772060715 16275604 CC1=C(C=C(C=C1)CC(=O)NC2CCCC3=CC=CC=C23)C 1 4.644 1 1 -6.33376178516136 16275562 C=CCN1C(NC2=CC=CC=C2C1=O)C3=CC(=CS3)Br 1 3.978 2 1 -8.43840517728334 16275557 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)OC 1 3.677 3 5 0 -3.69965857828598 16275540 COC1=C(C=CC(=C1)SC)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 3.263 3 4 0 -10.9303679421782 16275406 CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 2.019 5 6 0 -31.2516962274592 16275400 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC(=O)NC2CCCCC2 1 2.953 2 5 0 -12.7810515527678 16275398 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NNC(=O)C2=CC=CC=C2 1 2.148 2 5 0 -13.8508300612934 16275393 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C4=CC=CC=C4 1 0.712 4 5 0 -20.9210145064179 16275388 CN(CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)C(=O)CC2=C(C=CC=C2Cl)Cl 1 5.363 2 3 -6.30603897864551 16275376 CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C)C 1 3.928 3 5 0 -20.6640951473988 16275347 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.565 2 6 0 -12.1684504018413 16275207 C1CN(CCN1C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4)S(=O)(=O)C5=CC=CC=C5 1 4.246 4 3 0 -16.908424555976 16275170 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br 1 2.794 2 4 -12.0166819855201 16275091 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)CCC(=O)OC)C 1 4.172 4 4 0 -20.004372005646 16275078 CN1C2=CC=CC=C2N=C1CC(=O)NNC(=O)C3=C(C=C(C=C3)F)Cl 1 2.904 4 2 -3.23054892096028 16275063 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)CCNS(=O)(=O)C3=CC=CC=C3F 1 1.379 4 6 0 -15.2072518080281 16275047 C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3 1 2.307 2 4 -9.4716827196063 16274980 CC(C(=O)OC)SC1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC=C2 1 3.964 2 3 -21.5548440695784 16274970 CCN(CC(=O)NCC1=CC=CS1)C(=O)/C=C/C2=C(C=CC(=C2)Br)OC(F)F 1 3.997 2 3 -11.6562046290884 16274963 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CO3 1 1.363 2 5 0 -25.9752420886109 16274952 CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.512 4 4 0 -27.1437657699255 16274920 CC1CCCCN1C(=O)COC(=O)CC2=CC(=C(C(=C2)OC)OC)OC 1 2.231 1 6 0 -15.0309656582646 16274911 CCC1=NC2=C(C=C(C=C2)C(=O)N(C)CC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)N=C1CC 1 4.85 4 2 -11.0526367375865 16274854 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3)C)C 1 3.293 4 4 0 -16.5127900260947 16274836 CC1=CC(=C(C=C1)NC(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43)O 1 2.461 3 4 0 1.48753891504231 16274786 CC1=NN=NN1/C(=C\C2=CC=CC=C2)/C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C 1 0.758 6 5 0 -19.0100507392655 16274778 CCOC1=CC=C(C=C1)CN(C)C(C)C(=O)NCCC2=CC=C(C=C2)F 1 3.89 2 2 -6.15844929746732 16274777 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 2.135 3 6 0 -18.1767710721819 16274729 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.62 3 6 0 -27.0684678938239 16274695 CCCCCN1C=NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3 1 3.292 3 3 -12.6827045928194 16274652 CC1=CC(=NC(=C1C#N)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)C 1 2.682 4 3 0 -9.22381598255736 16274644 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2CCS(=O)(=O)C2 1 1.221 1 4 0 -13.8691582844324 16274596 CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=NC=C(C=C3)C 1 3.743 3 3 -20.9585718394328 16274585 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC=CC=N3 1 1.768 4 4 0 -24.261940552916 16274573 CC1=CN2C(=NC(=C2CN3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C)C=C1 1 3.816 5 2 0 2.22079384540332 16274564 CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=NC=C(C=C3N2)Cl 1 3.34 5 1 -8.54786508931354 16274540 CC1CCCC(C1C)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)C(C)C 1 3.759 3 3 -9.62164978893029 16274535 C1=CC=C(C(=C1)CC(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-])F 1 2.456 2 5 0 -12.8522647937837 16274534 CCCN1C(=O)NN=C1SCC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3 1 2.121 4 4 0 -26.8521685463679 16274524 CC1=NN=C(O1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 0.939 5 6 0 -15.1354866475895 16274512 CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN(C)C2CCS(=O)(=O)C2 1 2.852 2 3 -17.7066781612161 16274508 C1=CC=C(C=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2 1 1.119 2 5 0 -17.5486247655653 16274507 C1=CSC(=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 2.726 2 5 0 -13.5424285475232 16274502 C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2C#N)C(=O)C3=CC=C(C=C3)Cl 1 2.751 3 4 0 -10.5325723206856 16274495 CC(CNC(=O)CN1C(=O)C(=O)N(C1=O)C2CCCC2)C3=CC=CC=C3 1 2.015 3 4 0 -15.8416875892681 16274458 CCC1=NC2=C(C=C(C=C2)C(=O)N(C)CC(=O)NC3=C(C(=C(C=C3)F)F)F)N=C1CC 1 3.86 4 2 -10.9837382301413 16274454 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)CC2=NNC(=O)C3=CC=CC=C32 1 2.671 4 3 0 -18.3192905824037 16274438 C1CN(CCN1C(=O)CCNC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3 1 1.884 3 4 0 -26.6016992275864 16274437 C1=CC(=C(C(=C1)F)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=C(C=CC=C2F)F)F 1 2.13 2 6 0 -13.1499689256252 16274436 CC1=C(C(=NN1CC(=O)NC2CCS(=O)(=O)C2)C)S(=O)(=O)N(C)C 1 -1.408 4 5 0 -22.0557289791681 16274422 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CC2=CC(=CC=C2)OC 1 2.877 2 4 -6.17921464143579 16274408 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CNC(=O)C3=CC=CC=C3 1 1.709 4 5 0 -19.0669222814897 16274393 C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)NC3=C(C=C(C=C3)Br)F 1 2.717 2 3 -9.19445974434792 16274379 C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC(F)(F)F)NC(=O)C3CCC3 1 3.645 2 4 -15.5894718025194 16274374 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)COC2=CC=CC3=C2OC(C3)(C)C 1 3.647 2 4 -17.542688860583 16274373 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CCC2=C(NC(=O)C(=C2C)C#N)C 1 2.268 4 3 0 -23.8143624334477 16274369 COC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 3.033 1 7 0 -14.01749305162 16274367 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 3.776 3 6 0 -14.904094494318 16274343 CC1(CC2CC(C1)(CN2C(=O)COC(=O)C3=CC(=CN=C3)Br)C)C 1 2.59 2 3 -17.2414734554193 16274337 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NCCN2C(=O)CSC2=O 1 0.269 3 7 0 -26.0066719511869 16274323 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)C3=CC=CC=C3O)C)C 1 3.163 3 5 0 -10.5200315683381 16274316 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.475 4 2 -8.12463196937416 16274286 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)N4CCOCC4 1 3.798 3 4 0 -3.91243221918789 16274268 CC(C1=CC=C(C=C1)Cl)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.502 3 6 0 -19.5725521599615 16274267 CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 2.045 2 6 0 -16.9295517973633 16274235 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NCCN2C(=O)CSC2=O 1 0.629 3 7 0 -35.5772174181155 16274215 C1=CC(=CC=C1C(=O)NNC(=O)CNC(=O)C2=CC=C(O2)Br)Br 1 1.642 3 4 0 -14.5989748683033 16274187 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CNC(=O)C2CCCCC2 1 1.658 3 6 0 -21.6285189555312 16274154 CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2CCCO2 1 2.033 1 3 -14.8747469614771 16274143 CC1=CC(=CC=C1)COC(=O)C(CC2=CC=CC=C2)NC(=O)N 1 2.98 2 3 -6.32435829374352 16274142 CC1=C(SC(=N1)C)C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 0.645 3 5 0 -21.0659954252631 16274101 CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)NC3=CC=CC=C3N4CCCCC4 1 3.435 3 3 -5.78594092934789 16274091 CN(C)C(CC1=CC=CC=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-] 1 3.131 3 4 0 -6.11507030507719 16274058 CC1=C(C(=O)NC(=C1CCC(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C)C#N 1 2.305 4 3 0 -17.9773966809845 16274028 CN(CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 4.13 3 7 0 -6.80819449739797 16274013 C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)NCC3=CC=CC=C3Cl 1 3.056 2 3 -16.6129243379332 16274004 CC(C(=O)N(C)CC1=CC=C(C=C1)C(F)(F)F)NC(=O)C2=CC=CO2 1 2.708 2 3 -3.55405088221199 16273993 CC(C(=O)NC1(CCCCC1)C#N)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.037 5 3 0 -21.2791629253026 16273942 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N(C)C 1 2.185 3 6 0 -20.9338688148609 16273951 CC(C)NC(=O)CSC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3 1 3.385 3 2 -28.3214001096803 16273961 COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC(=O)NC4CCS(=O)(=O)C4 1 2.478 5 4 0 -27.7526564381247 16273957 CC(=O)NCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCC3=NC(=O)C4=CC=CC=C4N3 1 2.357 5 3 0 -12.048941265465 16273955 CC(C1=CC=C(C=C1)Cl)NC(=O)CNC(C2=CC=CC=C2)C3=CC=C(C=C3)OC 1 4.648 2 2 -6.53241660011571 16273936 CN(CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)C(=O)C2=CC=C(C=C2)N3CCCC3=O 1 3.582 3 4 0 -15.9472349879304 16273910 CC(=O)C1=CC(=C(C=C1)OC)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.177 2 6 0 -24.5929677250381 16273845 CN(C)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CN3 1 2.292 4 1 -8.85357930492109 16273815 CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CCC(=O)C2=CC=C(S2)Cl 1 3.255 2 4 -10.4013387611243 16273782 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC 1 2.498 3 5 0 -19.9217955657363 16273759 CCCNC(=O)NC(=O)CN1CCCC1C2=CC3=C(C=C2)OCCO3 1 1.891 3 4 0 -9.097837248365 16273757 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)O 1 1.956 2 6 0 -14.6497320148538 16273719 CC(C1CC1)NC(=O)C2=CC=CC=C2F 1 2.441 1 1 -10.233128240872 16273708 CC1(CC2CC(C1)(CN2C(=O)COC(=O)C3=CC=CC=C3C(F)(F)F)C)C 1 3.935 1 3 -15.5645749690813 16273683 CCN(C1CCS(=O)(=O)C1)C(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N=N2 1 -2.504 5 6 0 -20.3576405729891 16273680 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)N2CCCCC2 1 2.39 3 2 -17.1155643919573 16273654 CC1=C(C=C(C=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.199 3 5 0 -26.8223270793368 16273646 CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] 1 2.307 5 6 0 -4.29500110059431 16273584 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)C2CC(=O)N(C2)C3CCCC3 1 2.584 3 3 -17.0193363760121 16273577 COCCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)/C=C/C2=NC3=CC=CC=C3C=C2 1 3.774 3 3 -9.22269272020756 16273562 C1CC2=NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)C(F)F)C(=O)N2C1 1 2.423 3 4 0 -16.1812462587551 16273551 CCN(CC(=C)C)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)C 1 1.512 4 3 0 -28.9277039377954 16273530 CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3 1 1.539 3 5 0 -15.7204251645469 16273474 CN(C(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)Cl)C4(CCCCC4)C#N 1 3.489 2 3 -5.6538350553162 16273382 CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC3(CCCCC3)C#N 1 3.532 2 4 -13.4928388613416 16273339 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C 1 3.16 1 5 -10.8521975633429 16273306 CCC1=CC=CC=C1NC(=O)CN(C)C(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)OCC)OCC 1 2.254 3 7 0 -27.2028468817631 16273300 CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC=CN3C2=NS(=O)(=O)CC3 1 1.931 3 3 0 -9.95186820558962 16273272 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NN=C(O3)C 1 0.584 4 6 0 -20.6963007131185 16273239 CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N 1 1.838 2 7 0 -17.3988349541358 16273237 COCCNC(=S)NC1=CC(=C(C=C1)N2CCOCC2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.702 4 5 0 -17.9518497159932 16273236 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 0.615 3 6 0 -26.4264926400836 16273161 C1CC(C2=CC=CC=C2C1)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 3.693 2 2 -14.5596136770732 16273144 CN(C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2)C3(CCCCC3)C#N 1 3.308 3 5 0 -22.7359119768993 16273143 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 2.448 2 6 0 -26.7528693686041 16273137 CCCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=NN2C 1 0.325 5 3 0 -31.0291268119893 16273127 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC(=O)C=C(N3)N 1 -0.142 7 4 0 -18.2107051682915 16273124 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)C3=CC(=CC=C3)O 1 1.92 3 5 0 -5.6254775506859 16273071 COC1=C(C=C(C=C1)NC(=O)CSC2=NC=CC=N2)S(=O)(=O)N3CCCCC3 1 1.768 4 4 0 -21.8791985267 16273067 CC1=C(C(=NN1CC(=O)NC(C)C(C)C)C)S(=O)(=O)N2CCCCC2 1 1.571 4 3 0 -21.9438590391116 16272976 CC1=NC=C(N=C1)C(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl 1 1.268 4 3 0 -11.9116197020775 16272960 CN(C)C(CNC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC 1 4.008 3 4 0 -10.7996684265995 16272954 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC=CC=C2N3C=NN=N3)N 1 1.465 8 3 0 -23.9664425937902 16272896 C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3F 1 1.833 2 5 0 -13.1927657844212 16272888 CCOC1=CC=C(C=C1)OCCSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.799 3 4 0 -16.0587855635439 16272852 CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N 1 3.75 5 2 0 -13.866269010186 16272750 CC1=CC(=C(C=C1)CN(C)C(=O)COC(=O)C2CC3CCCC(C2)C3=O)C 1 3.555 1 4 -7.73661239311332 16272738 CN(C1=CC=CC=C1)C(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2 1 -1.096 5 5 0 -17.8802721722993 16272727 CC(C)[C@@H](C(=O)OCC(=O)NC(=O)CN1CCCC1=O)NS(=O)(=O)C2=CC(=CC=C2)Cl 1 0.804 3 7 0 -31.528038424481 16272724 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2CC3CCCC(C2)C3=O)[N+](=O)[O-] 1 2.751 2 6 0 -8.62378022472622 16272719 C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3Br 1 2.376 2 5 0 -11.0817086722307 16272716 CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C2CC3CCCC(C2)C3=O)Cl 1 3.574 2 4 -4.60643358884256 16272700 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)N3CC(OC(C3)C)C 1 2.807 1 6 0 -5.24712370602124 16272699 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)NCC3CCCO3 1 2.517 1 6 0 -8.00049234862359 16272685 CC(C(=O)NCC1=CC=C(C=C1)OC)N2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 3.422 3 4 0 -12.8064072052134 16272367 CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)CN2C(=O)C(NC2=O)(C)C 1 1.621 2 6 0 -12.0734011943672 16272282 C1CN(CCN1C(=O)CCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)F 1 1.248 4 4 0 -23.6228505201794 16272263 CC(CC(=O)OCC(=O)NC1=CC2=C(C=C1)NC(=O)N2)C3=CC=CC=C3 1 1.927 3 4 0 -17.5837149859983 16272227 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)CCN2C(=O)C3CCCCC3C2=O 1 2.636 3 4 0 -18.5562637527769 16272224 C1CSC2=CC=CC=C2C1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4 1 2.817 3 4 0 -9.87082956331607 16271866 CC(=O)NC1=CC=CC(=C1)C(=O)OC2CCOC2=O 1 0.529 1 5 0 -11.5630405907056 16271826 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 1 1.487 3 5 0 -13.4625679028484 16271816 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4.Cl Cl- 1 3.23 4 3 0 -10.5585205179123 16271770 C1C2CC3(CC1CC(C2)(C3)O)C(=O)NCCC4=CC=C(C=C4)Cl 1 3.282 1 2 -5.77212223630558 16271762 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=C(C=C(C=C3C)C)C)C 1 3.966 2 5 0 -19.7652969323288 16271542 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4 1 3.814 5 3 0 -8.37381730916088 16271085 CC(=O)NC1C(C(C(OC1OC(=O)/C=C/C2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C 1 0.866 1 10 0 -29.4032475899385 16271081 CN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CN=CC=C3 1 3.024 3 4 0 -10.386161768995 16270973 CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)C(C)OC(=O)C2=COCCO2 1 2.432 1 5 -8.56846299537707 16270471 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=C(C=CC=C3Cl)F 1 3.642 3 3 -15.9707885375023 16270080 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2CC2 1 1.037 1 3 0 -18.012629153356 16270079 CC1(CCS(=O)(=O)C1)N(C)C(=O)COC2=C(C=C(C=C2)Cl)Cl 1 2.12 1 4 -7.55000055627128 16270078 CCN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.711 1 4 0 -14.8176195093408 16270077 CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 1.613 1 6 0 -21.924733779711 16270069 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4 1 5.636 4 2 -6.21379823598477 16269817 CCCN1C(=O)NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C 1 2.646 5 4 0 -31.244590717972 16269372 CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C(=O)OC 1 0.368 3 9 0 -17.7203238987091 16269211 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=C(C=C3)OC)F 1 1.791 2 6 0 -23.3512830479505 16269011 C1CCC(C1)C(=O)NC2CCS(=O)(=O)C2 1 0.551 1 3 0 -10.6554985365539 16269005 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2CCCCC2 1 2.405 1 3 -14.6179505476162 16269003 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=CC3=C(C=C2)OCO3 1 1.711 1 5 0 -16.9407630175691 16269000 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=CO2 1 1.338 1 4 0 -15.7692010242755 16268999 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2CCCC2 1 1.949 1 3 0 -14.2634820334482 16268998 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(O2)Br 1 1.906 1 4 0 -16.6620902483191 16268996 CCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.134 2 5 0 -28.7625700927519 16268994 CCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C 1 1.386 2 5 0 -31.5539441545468 16268981 CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2CCS(=O)(=O)C2 1 1.443 1 4 0 -13.0116522311027 16268974 CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2(CCS(=O)(=O)C2)C 1 1.632 1 4 0 -7.98040716296309 16268972 CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2CCS(=O)(=O)C2 1 1.427 1 4 0 -12.4265645790644 16268941 CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 1.75 1 6 0 -21.9909017355107 16268939 CCN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 0.77 1 6 0 -21.2651906592744 16268919 CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=C(C=C2)C(C)C 1 2.84 1 4 -14.2696138300122 16268917 CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.554 1 4 -15.4771626297773 16268916 CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=C(C=C2)C(C)C 1 2.977 1 4 -14.7183473041289 16268912 CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.885 2 6 0 -31.4351433665917 16268906 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.748 2 6 0 -31.387139621553 16268905 CCN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=C(C=CC(=C2)C)C 1 1.775 1 4 0 -14.5081611687064 16268902 CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=C(C=CC(=C2)C)C 1 2.755 1 4 -15.2338722449428 16268900 CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.114 2 5 0 -29.476960645142 16268834 CC1(CCS(=O)(=O)C1)N(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 0.554 2 6 0 -12.1099408766617 16268828 CC1(CCS(=O)(=O)C1)N(C)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.515 2 5 0 -10.3240998563957 16268824 CC1(CCS(=O)(=O)C1)N(C)C(=O)C2=CC(=C(C=C2)OC)OC 1 0.923 1 5 0 -12.4311200486876 16268822 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=CS2 1 1.896 1 3 0 -17.3000080316668 16268820 CCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -9.5e-002 2 6 0 -30.7207528142017 16268814 CCN(C1CCS(=O)(=O)C1)C(=O)/C=C/C2=CC=C(C=C2)OC 1 1.551 1 4 0 -13.3494889522195 16268813 CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.767 1 5 0 -15.4147732099246 16268740 CC12CCC(=O)N1C(CS2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 0.953 3 4 0 -19.4681098596137 16268542 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=COCCO2 1 0.772 2 5 0 -8.38371382835337 16268397 CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CN3C(=O)C4(CCCC4)NC3=O)C 1 2.751 4 3 0 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CCC1(C(=O)N(C(=O)N1)CC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)CC 1 0.966 4 7 0 -11.831404936197 16266433 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCC3=CC=CC=C3OC 1 1.783 4 6 0 -17.8213175100294 16266378 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)/C=C/C3=NC4=CC=CC=C4C=C3 1 2.042 5 5 0 -6.35894955115765 16266343 CC1=C(C(=NO1)C)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 3.069 2 5 0 -17.4488477902044 16266293 C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 1.308 4 5 0 -1.94151365389881 16266190 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OC(C)C(=O)NC3(CCCCC3)C#N 1 3.952 2 5 0 -0.467023308779823 16266185 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)N5 1 2.224 5 4 0 -13.7232894109092 16266128 CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2 1 0.927 3 5 0 -23.778577251093 16265693 CC1(CCS(=O)(=O)C1)N(C)C(=O)COC2=CC=C(C=C2)Cl 1 1.456 1 4 0 -7.13634795163111 16265691 CC1(CCS(=O)(=O)C1)N(C)C(=O)C2CCCCC2 1 1.418 1 3 0 -7.16993123326582 16265638 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C1=CC(=C(C(=C1)Cl)CC(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)F 1 2.259 2 5 0 -18.6600266621113 16263906 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C 1 2.185 2 6 0 -23.0743559320692 16263824 C1C(N(N=C1C2=CC=CS2)C(=O)C3=CC=CC=C3Cl)C4=CC(=CC=C4)O 1 4.792 2 2 -4.4508717541073 16263590 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 0.79 4 6 0 -15.1021573118232 16263407 CC(=O)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3 1 2.966 4 3 0 -14.174822571817 16263355 C1C(OC2=CC=CC=C2O1)CNC(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 2.557 2 4 -16.0893403505822 16263211 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=C(C=C3)C(C)(C)C)C 1 3.908 2 5 0 -15.6947140075539 16263140 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=CC=C4 1 2.498 3 4 0 -20.1914567404833 16262960 CC1=CC=CC(=C1)C(=O)N=C2N(C3CS(=O)(=O)CC3S2)C4=CC=CC=C4 1 3.845 2 3 -13.463584680182 16262858 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3 1 1.97 4 3 0 -17.032861177761 16262794 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C1=CC=NC(=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 0.314 7 4 0 -15.444431546316 16259852 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=CC=C2N3C=NN=N3)OCC 1 1.432 6 4 0 -27.6079242290798 16259838 C1CN(CCN1CC(=O)N2CCOCC2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F 1 1.791 4 3 0 -15.1775299792742 16259793 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)NC3=CC=CC=C3N4CCCC4 1 2.435 4 4 0 -23.8815348186174 16259765 CC1=NC(=C(S1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F 1 3.228 3 3 -17.6197988807404 16259343 CCNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC3(CC2CC(C3)(C)C)C 1 2.252 2 5 0 -27.9824363406116 16259324 CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4)C5=CC=CC=C5 1 4.485 5 3 0 1.88414019455921e-002 16259259 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=CN=C3)Br 1 0.85 5 3 0 -6.74863431525387 16259239 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NCC3COC4=CC=CC=C4O3 1 2.241 3 5 0 -13.2962597457705 16259224 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=N3)C 1 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5 0 -26.9258050814684 16251267 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.644 3 4 0 -14.425500227436 16251263 COC1=C(C=C(C=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.696 3 6 0 -27.9868426223489 16251257 CN(CC(=O)NC1=CC=CC=C1Cl)C2CCS(=O)(=O)C2 1 1.128 2 3 0 -16.9580013458095 16251224 CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)OCC(=O)C2=CC=C(C=C2)Br)C(=O)OC 1 2.002 1 7 0 -17.9002657829851 16251223 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2CSC3(N2C(=O)CC3)C)C 1 1.598 2 4 0 -12.1887064566516 16251125 CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3)C(=O)C 1 0.714 3 6 0 -24.9646467996599 16251122 CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CO2)N(C)C)S(=O)(=O)NC3=CC=CC=C3OC 1 3.035 3 5 0 -15.5607772732698 16251119 CC(C)CCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=CO2)N(C)C 1 3.641 2 3 -9.77506894408704 16251112 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.309 3 5 0 -23.1569337565309 16251108 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)[N+](=O)[O-] 1 2.323 4 8 0 -22.9831382499609 16251105 CC(C1=CC=NC=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C(=O)C 1 0.599 3 4 0 -20.4934573399475 16251045 C1CS(=O)(=O)CC1NC(=O)COC(=O)/C=C/C2=CC=CC=C2 1 0.72 1 5 0 -14.7551220689819 16251044 COC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2CCS(=O)(=O)C2 1 0.704 1 6 0 -14.9251015124066 16251035 CN(CC1=CC=CC=C1Cl)C(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 2.549 2 4 -9.97640756038631 16251030 C1=CC(=CN=C1)NC(=O)/C=C/C2=C(C=CC(=C2)Br)F 1 2.885 2 1 -0.339312547682646 16250993 C[C@@H](C(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 1.619 4 4 0 -11.225754902875 16250992 CCC1=CC=C(C=C1)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 4.241 2 4 -11.8946584844257 16250991 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.569 3 6 0 -23.0073727979016 16250990 CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)Cl 1 2.665 3 5 0 -23.874814737436 16250964 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CC(=CC=C3)C(F)(F)F 1 3.958 2 4 -17.652591681645 16250959 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3 1 3.949 2 5 0 -17.266466467888 16250954 CCOC(=O)N1CCN(CC1)C(=O)C(CC(C)C)NS(=O)(=O)C2=CC=C(C=C2)C 1 2.417 3 5 0 -19.0968927398432 16250952 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 2.65 3 6 0 -19.5270618933984 16250942 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-] 1 2.49 6 4 0 -19.3503241152576 16250928 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C2CCS(=O)(=O)C2 1 1.112 2 4 0 -17.3398550051864 16250918 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 1.391 3 5 0 -28.4406898171855 16250914 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC 1 3.242 2 7 0 -18.001653909392 16250910 CCOC(=O)C1=C(N=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)C 1 1.447 3 6 0 -14.0840907948077 16250907 CC(C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)F)F)OC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 3.575 3 6 0 -0.270628641946199 16250842 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.659 4 5 0 -22.320682014596 16250822 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 3.656 3 5 0 -10.8624381280074 16250782 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CC=C(O3)Br 1 2.554 1 6 0 -14.5443203367065 16250765 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3(CCCCC3)N(C)C 1 3.711 3 4 0 -12.00434199897 16250764 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC(=CC=C3)OC 1 2.063 2 5 0 -11.2562859110189 16250749 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC4=C(C=C3)OCCO4)Cl 1 1.904 2 6 0 -20.6773054708542 16250707 CC1CC1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC 1 1.977 2 4 0 -18.0015654305937 16250706 CC(C)COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC)OC 1 2.562 2 7 0 -30.4310246893888 16250701 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC=C(O3)Br 1 1.575 2 7 0 -25.2074106585129 16250695 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 0.213 4 6 0 -18.079038221449 16250674 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-] 1 2.69 3 8 0 -27.8404332110625 16250665 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O 1 2.252 3 7 0 -21.3672366654737 16250656 CC1=CC(=CC=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C)O 1 3.484 2 4 -12.2388637472277 16250654 COC1=C(C=C(C=C1)COCC(CN2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F)O)OC 1 2.224 2 6 0 -18.3239333786121 16250610 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 2.971 2 5 0 -13.900141120506 16250595 COC1=C(C=C(C=C1)C(=O)OCC2=C(C=CC=C2Cl)F)S(=O)(=O)N3CCOCC3 1 2.927 1 6 0 -21.7103063587127 16250582 CC(C)(C)OC(=O)CN1C(=O)C2(CCCC3=CC=CC=C32)NC1=O 1 2.352 2 4 -6.45845457282708 16250578 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2 1 3.219 1 6 0 -16.7707422673037 16250577 CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 2.26 2 5 0 -9.16583407527759 16250546 C1CC2(N(C1=O)C3=CC=CC=C3S2)C(=O)OCC4=CC(=O)N5C=C(C=CC5=N4)Br 1 1.809 3 4 0 -10.8202594384573 16250516 C1CCCC2(CCC1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C=C(C=C3)Br)Br 1 4.019 3 3 -7.05613022137436 16250491 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CCNS(=O)(=O)C2=CC=CS2 1 0.308 3 7 0 -22.2522117654419 16250461 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 1.899 3 8 0 -28.8060831842657 16250455 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4 1 2.449 2 5 0 -17.3705311382274 16250406 CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC)C(=O)C 1 2.603 3 5 0 -17.5943462021129 16250393 C[C@@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 1.702 3 8 0 -26.3907620367971 16250375 CN(CC(COC(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)O)C3CCCCC3 1 4.699 1 4 -9.04773615084836 16250334 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)OC)OC)C3=CC4=C(C=C3)OCCO4 1 1.465 3 7 0 -12.6861434925126 16250333 C1CC(OC1)CNC(=O)CSC2=NN=C(N2N)C3=C(C=CC(=C3)Cl)Cl 1 2.457 5 2 0 -17.5838542737045 16250317 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 2.326 3 5 0 -15.981236132174 16250314 COC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl 1 4.016 3 4 0 -21.5398950937551 16250299 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C4CC4 1 1.648 4 5 0 -19.8200810677118 16250267 COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)OC 1 2.542 2 6 0 -24.633781936163 16250266 CC1=C(N=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.523 3 3 -18.2486097851787 16250265 CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)N4CCOCC4 1 1.939 3 6 0 -26.7807346317022 16250257 CCN1C(=NN=C1SCC(=O)NCC2CCCO2)C3=CC=CC=C3OC 1 2.159 4 3 0 -21.6789168997035 16250255 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN=C(N3N)C4=CN=CC=C4 1 1.466 6 3 0 -15.8045014533644 16250249 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-] 1 3.974 4 4 0 -10.4560606344285 16250236 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3COC4=CC=CC=C4O3 1 2.535 2 5 0 -22.2327137774667 16250231 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 2.654 3 5 0 -17.0483565147716 16250229 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43 1 0.276 4 7 0 -31.4238607317138 16250224 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NCCC3=CC=C(C=C3)C(F)(F)F 1 3.163 2 2 -12.150666436177 16250220 CC1C2=CC=CN2CCN1S(=O)(=O)C3=C(C=CC(=C3)NC(=O)C)OC 1 1.314 3 4 0 -21.5927662446233 16250212 CN(CC1=C(C=C(C=C1)OC)OC)C(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.852 2 6 0 -11.3368307546641 16250208 CC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)OC 1 1.642 2 7 0 -25.3722766041594 16250199 COC1=C(C=C(C=C1)CC(=O)NCC2=CC(=CC=C2)OC)S(=O)(=O)N3CCOCC3 1 1.428 2 6 0 -24.1232940595743 16250198 COC1=CC=CC(=C1)CNC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl 1 3.29 2 3 -8.84982386470398 16250105 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.531 2 6 0 -28.2693854669853 16250102 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 1.897 4 4 0 -20.6885627689069 16250091 CN(C)N(C1CCS(=O)(=O)C1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4 1 2.883 4 3 0 -9.8609561857082 16250058 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)NC4=CC=C(C=C4)OC(F)F 1 3.304 3 5 0 -15.6945189777819 16250038 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.876 2 6 0 -10.8305705045959 16250036 C1=CC(=CN=C1)CNC(=O)CC2=C(C=C(C=C2)Cl)Cl 1 2.834 2 1 -8.84341837178802 16250029 COC1=CC=C(C=C1)C(CNC(=O)CCNC(=O)C2=CC=CC=C2Cl)N3CCCC3 1 3.205 3 3 -23.2844650985061 16249994 CCCOC1=CC=CC=C1OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.183 2 5 0 -19.6068502251524 16249992 CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3CC=CCC3C2=O)Cl 1 2.47 2 3 -8.88484192850997 16249990 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)OC 1 1.844 3 7 0 -19.8769747163134 16249972 COC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3CCCCC3C2=O 1 1.371 2 5 0 -12.4626279753363 16249963 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.224 2 7 0 -22.0903254408824 16249959 CN(CC1=CC=CC=C1OC)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 3.769 2 4 -17.1611527574133 16249958 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3 1 2.105 6 4 0 -17.6760381228428 16249948 COC1=C(C=C(C=C1)C(=O)NCCC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)N3CCOCC3 1 2.673 2 5 0 -19.4505099599482 16249945 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NCCC4=CC=C(C=C4)C(F)(F)F 1 2.942 2 4 -10.3218604044335 16249891 C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NNC3=C4C=C(C=CC4=NC3=O)F 1 1.299 4 4 0 -7.65206631578316 16249897 CC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2 1 3.062 2 4 -8.39523337700317 16249904 COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3 1 1.85 2 8 0 -25.4735802136841 16249935 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)C4 1 2.294 2 5 0 -20.5542214905988 16249929 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 2.714 3 9 0 -19.4838923896934 16249922 COC1=CC2=C(C(=O)N=C2C=C1)NNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4 1 1.077 4 5 0 -8.34431722108057 16249911 COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OCC#N 1 1.585 3 6 0 -28.257191534499 16249870 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3)[N+](=O)[O-] 1 2.217 3 9 0 -26.8234987826159 16249857 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=C(C=CC(=C3)OC)OC 1 3.235 2 5 0 -16.2196709687528 16249813 C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=NC=CN=C3N 1 1.264 4 3 0 -14.2897449382253 16249810 COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3)OC 1 1.85 2 8 0 -28.1423885372029 16249797 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CNC(=O)C3=CC(=CC=C3)OC(F)F 1 2.429 3 6 0 -11.4061535645744 16249775 C1CN(CCC1C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl 1 3.311 3 4 0 -7.26386729969639 16249747 COCCNC(=O)NC(=O)CN1C(=O)C(NC1=O)CC2=CNC3=CC=CC=C32 1 8.8e-002 5 5 0 -14.9880648391451 16249744 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC(C3=CC=CC=C3)NC(=O)C 1 1.935 4 3 0 -8.93268006403113 16249718 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C 1 2.255 5 3 0 -19.5054166798902 16249716 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CCOCC3)S(=O)(=O)N4CCCC4 1 2.026 3 5 0 -21.1043884070392 16249715 CCOC(=O)C1=C(C=C(S1)NC(=O)CCN2C(=O)C3CCCCC3C2=O)C 1 2.532 2 5 0 -14.9228908852213 16249714 CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3F 1 3.681 2 5 0 -13.0955801833299 16249702 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=CS3)N4CCOCC4 1 1.883 3 5 0 -28.7438792452784 16249701 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C 1 1.579 4 7 0 -23.1682126715864 16249693 COC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.557 3 4 0 -21.5283927331392 16249646 C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)COC3=CC(=CC=C3)F 1 3.485 3 3 -6.78536309012858 16249642 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CSC3=NC(=O)C=C(N3)N 1 1.294 5 3 0 -23.7635123828329 16249634 C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F 1 2.138 2 6 0 -13.303044481422 16249629 CC1(C(=O)N(C(=O)N1)CC(=O)NC2CCS(=O)(=O)C2)C3=CC=C(C=C3)C(C)(C)C 1 1.044 3 5 0 -12.5140437781196 16249618 CCCN1C2=C(C(=NC(=N2)C(C)(C)C)SCC(=O)NC3=NOC(=C3)C)C(=O)N(C1=O)C 1 2.967 6 4 0 -25.5387293418582 16249584 CC1=C(C=C(C=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 3.428 3 4 0 -24.864144357887 16249515 CCOC1=C(C(=CC(=C1)/C=C/2\COC3=CC=CC=C3C2=O)Br)OCC(=O)N(C)C 1 3.729 1 5 -5.43527418145038 16249467 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Br 1 3.123 3 4 0 -19.833311887087 16249454 CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)[N+](=O)[O-] 1 1.783 3 6 0 -16.4014579551448 16249434 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C 1 1.863 3 6 0 -21.8817155852539 16249392 C[C@@H](C(=O)N(C)CC1=CC=CS1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 0.934 3 4 0 -15.9581996038941 16249360 CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C 1 2.181 3 6 0 -20.8395914585019 16249347 C1=CC=C(C=C1)C2=CC=C(C=C2)C[N+]3=CC=CC(=C3)C(=O)N.[Cl-] Cl- 1 3.538 2 1 2.10999586355093 16249326 CN1C2=CC=CC=C2N=C1CC(=O)NNC(=O)C3=CC=CC=C3F 1 2.24 4 2 -7.97456769166357 16249321 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC(=O)N 1 1.128 2 7 0 -18.8241138587596 16249299 COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.511 1 7 0 -13.8478753115078 16249208 CC(C)[C@@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=C(C=C3)OC 1 3.689 4 5 0 -32.5151211867323 16249191 CC(C)[C@@H](C(=O)OCC(=O)C1=C(N(C(=O)N(C1=O)C)C)N)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 0.996 4 7 0 -26.7376422137976 16249114 CC(C)[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=CC=C3 1 1.806 3 5 0 -34.2747170136969 16249012 CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 2.138 3 6 0 -34.560864580515 16248958 C[C@@H](C(=O)OCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.266 3 7 0 -20.0711355018072 16248910 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C)CC3=CC=CS3 1 2.519 5 2 0 -17.5821269732986 16248876 CC1=CC=C(C=C1)CN2C=CC=CC2=N.Cl Cl- 1 2.006 2 0 -1.27974153263208 16248875 C1=CC=C(C(=C1)CN2C=CSC2=N)F.Cl Cl- 1 1.845 2 0 0 -5.71257785380271 16248826 CN1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2.Cl Cl- 1 0.966 2 2 0 -14.1997286102613 16248821 C1COC(=O)C1OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 0.878 1 7 0 -22.0798099304053 16248816 C1CCN(CC1)C(CNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CO3.Cl Cl- 1 3.64 2 3 -8.9818032941506 16248815 CCN1CCCC1CNS(=O)(=O)C2=C(C=C(C=C2C)C)C.Cl Cl- 1 3.176 2 2 -8.54434015521609 16248811 CC1=CC(=CC=C1)NC2=NN=C(S2)SC(C)C(=O)NC3CC3 1 2.82 4 1 -10.0358567323512 16248806 C[C@@H](C(=O)NC1=CC(=C(C=C1)N2CCOCC2)S(=O)(=O)NC3=CC=C(C=C3)Cl)NC(=O)N 1 1.286 5 5 0 -10.3713886685309 16248805 CCOC1=C(C=C(C=C1)C(=O)C)CN2C=CSC2=N.Cl Cl- 1 1.712 2 2 0 -11.1944309872939 16248804 COC(=O)[C@@H]1CC(CN1C(=O)C23CC4CC(C2)CC(C4)C3)O 1 1.347 1 4 0 -3.15960926870784 16248700 CC1=CC=C(C=C1)NC2=NN=C(S2)SC(C)C(=O)NC3CC3 1 2.82 4 1 -12.3162435372129 16248694 CC(C(=O)NC1CC1)SC2=NN=C(S2)NC3=CC=CC=C3F 1 2.539 4 1 -12.5216055389127 16248691 COC1=CC2=C(C=C1)C(=CO2)CC(=O)NNC(=O)C3=CC=CS3 1 2.147 2 4 -10.1739985014061 16248666 CCOC(=O)/C(=C/NC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)/C#N 1 1.955 3 6 0 -13.0612438823664 16248533 C1=CC=C(C(=C1)CC(=O)NNC(=O)C2=CC=CS2)[N+](=O)[O-] 1 1.754 3 4 0 -14.5263427098029 16248508 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=CC=C4C(F)(F)F 1 3.156 3 5 0 -20.5713076405929 16248505 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3 1 2.334 5 2 0 -8.84305398494389 16248247 COC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)F)N3CCOCC3)Br.Cl Cl- 1 3.117 2 4 -12.3848282007617 16248233 CN(CC1=CC(=C(C=C1)OC)OC)C(=O)CN2C=CSC2=N.Cl Cl- 1 0.873 3 3 0 -17.8205924241971 16248223 C1C(NC2=CC=CC=C2S1)C3=CC=CC=C3.Cl Cl- 1 3.611 1 0 -0.694602088020209 16248202 C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=C2CC(=O)O)C4=CC=CC=C4)[N+](=O)[O-].Cl Cl- 1 5.04 2 4 0.550704387286119 16248201 CC1=CC(=C(C=C1)OC)C2=C(C(=C3C=C(C=CC3=N2)[N+](=O)[O-])C4=CC=CC=C4)CC(=O)O.Cl Cl- 1 5.51 2 5 0 0.444050897087208 16248168 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3.Cl Cl- 1 3.244 2 5 0 -15.2832025824488 16248073 CC(=O)OC1=C(C=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C=C2)CC=C)OC.[Cl-] Cl- 1 5.28 1 3 -2.29756416225745 16248065 C[N+]1=CC=CC(=C1)C(=O)NC2=CC=CC=C2.[Cl-] Cl- 1 2.219 2 1 -4.02516305101608 16248052 CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.377 4 4 0 -19.9401660838522 16248034 CC(C)CCOC1=C(C=C(C=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCC3)\C(=O)O)OC 1 4.609 1 6 0 -18.8944196241533 16247977 C1OC2=C(O1)C=C(C(=C2)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3)Br 1 4.448 1 4 -3.38651688128188 16247921 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)[C@H](C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 -0.299 4 8 0 -30.4953799563676 16247866 C1CCC(C1)NC2CCS(=O)(=O)C2.Cl Cl- 1 0.693 1 2 0 -5.33969110382173 16247805 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(=O)O.Cl Cl- 1 1.359 2 4 0 -22.1102674986241 16247780 C[C@@H](C(=O)OCC(=O)NC1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 0.474 3 8 0 -23.3086249044434 16247753 C1COCCN1CCNS(=O)(=O)C2=CC(=C(C=C2)F)Cl.Cl Cl- 1 1.437 2 3 0 -6.25075534886817 16247663 CC(C)[C@@H](C(=O)OCC1=NN=C(O1)C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.115 3 6 0 -21.902134989896 16247661 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(CCC#N)CC3=CN=CC=C3.Cl Cl- 1 2.267 3 2 -13.0789169922054 16247660 C1CCN(CC1)C(CNS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C3=CC=CO3.Cl Cl- 1 3.64 2 3 -12.7882317214558 16247604 CC(C)[C@@H](C(=O)OCC(=O)NC1=CC(=CC=C1)Br)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 2.261 3 7 0 -35.9873276162705 16247526 C[C@@H](C(=O)OCC(=O)C1=CC(=C(C=C1)OC)OC)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.275 2 8 0 -25.4142909659971 16247523 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)[C@H](C)NS(=O)(=O)C2=CC=CC=C2F 1 0.786 3 7 0 -27.6917850843564 16247507 CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)C 1 1.797 4 5 0 -21.0650086086056 16247500 C[C@@H](C(=O)NC(C)C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=CO2 1 0.643 3 5 0 -14.5667167261535 16247464 CC1=C(C=CC(=C1)N2CCN(CC2)C)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl Cl- 1 3.831 3 2 1.69659176535956 16247454 CC1=NC=C(/C(=C\NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC)/C1=O)CO 1 -0.111 4 6 0 -11.0637708185908 16247397 C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)CCl.Cl Cl- 1 -0.204 3 2 0 -7.16194797788121 16247383 C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)OCC(=O)N3CCC4=CC=CC=C43 1 2.372 2 5 0 -19.8594149629385 16247347 COC1=CC=CC=C1N2CC(CC2=O)C(=O)NCCN3C(=O)/C(=C/C4=CN=CC=C4)/SC3=O 1 1.109 4 5 0 -17.1810379789192 16247264 C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.867 2 7 0 -20.4714548310246 16247256 C1COCCN1CC(=O)NCC2=CC=C(C=C2)F.Cl Cl- 1 0.856 2 2 0 -10.7617407698627 16247225 CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)C(=O)N(C)C.Cl Cl- 1 3.895 2 1 2.334203379106 16247215 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C3=CC(=CC(=C3)OC)OC 1 2.375 3 8 0 -37.8521579869657 16247189 CC(C)[C@@H](C(=O)OCC(=O)NC1=C(N=CC=C1)Cl)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.399 3 6 0 -23.5813548700206 16247011 CC1=CC=CC=C1CN(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 3.808 2 3 -8.33414616689426 16246969 CCN1CCCC1CNS(=O)(=O)C2=CC=C(C=C2)Br.Cl Cl- 1 2.466 2 2 -9.47220430316851 16246923 CC1(C2=C(CCN1)C3=CC=CC=C3N2)CCC4=CC5=C(C=C4)OCO5.Cl Cl- 1 4.389 2 2 -2.31313266298085 16246838 C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)N/C=C/4\C=CC(=O)C=C4O)[N+](=O)[O-] 1 1.096 3 6 0 -0.476156491186058 16246816 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CN3C=CSC3=N.Cl Cl- 1 2.489 3 1 -14.414418651237 16246748 C1=CC(=C[N+](=C1)CC(=O)NCC2=CC=C(C=C2)Cl)O.[Cl-] Cl- 1 2.5 2 2 -4.79468235864197 16246741 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=CC(=C3)O.[Cl-] Cl- 1 1.238 2 4 0 -0.599079448120244 16246695 CC1=CC(=NC=C1)NC(=O)C2=CC=C(S2)Br.Cl Cl- 1 3.01 2 1 -1.23505623107001 16246687 CCN1C/C(=C/C2=C(C=CS2)C)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O.Cl Cl- 1 1.601 2 2 0 -0.349690033817938 16246673 C1=CC(=NC=C1Br)NC(=O)C2=CC=C(S2)Br.Cl Cl- 1 3.272 2 1 -5.17062666881936 16246576 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl)OCC 1 3.513 4 4 0 -14.0248378339382 16246575 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCCC3=NC(=O)C4=CC=CC=C4N3)OC 1 3.197 4 4 0 -10.2971712847968 16246519 CCOC1=C(C=C(C=C1)CN(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)OC 1 4.805 2 5 0 -12.6925758128173 16246473 CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@H](C)N3C(=O)C4CC=CCC4C3=O 1 2.667 3 3 -6.80458498818153 16246438 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CC=CO2)N3CCCCC3)OC.Cl Cl- 1 1.801 3 5 0 -22.7237593033628 16246434 CN1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C#N.Cl Cl- 1 0.845 3 2 0 -15.2851770760474 16246405 CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCNCC2)C(=O)O.Cl Cl- 1 -2.513 2 6 0 -15.2320620378299 16246396 C[C@@H](C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C)N3C(=O)C4CCCCC4C3=O 1 1.804 2 7 0 -16.8386277960368 16246326 CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=NN(C(=O)CC3)C4=C(C(=CC(=C4F)F)F)F 1 3.437 5 2 0 -15.4416628707162 16246215 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NNC(=O)C2=CC=CC=C2 1 2.073 4 5 0 -30.8598940947995 16245971 CC1=CC(=C(C=C1)OC)C2=NC3=CC=CC=C3C(=C2CC(=O)O)C4=CC=CC=C4.Cl Cl- 1 5.615 1 3 1.97556505440824 16245951 C1COCCN1CCCNS(=O)(=O)C2=CC(=C(C=C2)F)Cl.Cl Cl- 1 1.499 2 3 0 -6.56432454315337 16245921 C[N+]1=CC=CC=C1NC2=CC(=C(C(=C2)OC)OC)OC.[I-] I- 1 3.06 2 3 -3.3031794276693 16245802 CC1=C(C=CC(=C1)S(=O)(=O)NCCCN2CCOCC2)Br.Cl Cl- 1 1.864 2 3 0 -6.7216436279393 16245733 CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCCN2CCOCC2.Cl Cl- 1 0.369 2 4 0 -12.2021996173067 16245696 CC1=CC(=NC2=CC3=C(C=C12)OCO3)C4=CC(=CC=C4)NC(=O)C.Cl Cl- 1 3.337 2 3 1.91261465123918 16245471 CCC(=O)NC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C(C)C.Cl Cl- 1 2.972 5 1 -11.2005872787275 16245446 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)CN2C=CSC2=N.Cl Cl- 1 -0.602 4 3 0 -18.0936406203643 16245372 CC1=CC(=C(C(=C1C)S(=O)(=O)N(C)C2CCN(CC2)C)C)C.Cl Cl- 1 3.002 2 2 1.4073155772673 16245365 CC1=NN=C2N1N=C(CS2)C3=CC4=C(C=C3)OCC(=O)N4.Cl Cl- 1 0.845 5 2 0 -4.91150507884094 16245211 CC(C)[C@@H](C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.002 3 6 0 -27.7982937161676 16245146 CN(C)CCOC(=O)NCC12CC3CC(C1)CC(C3)C2.Cl Cl- 1 2.63 2 2 -3.84945321420589 16245034 CC1CCCC(N1CC(COCC2=CC=CC=C2F)O)C.Cl Cl- 1 3.139 1 2 -7.81802284766805 16245021 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2.Cl Cl- 1 0.108 2 3 0 -19.9438700635162 16244991 CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CN=CC=C2.Cl Cl- 1 2.817 2 2 -3.05672817831026 16244947 CCC[N+]1=C2C=CC=CC2=CC3=CC=CC=C31.[I-] I- 1 4.706 1 0 4.91741058271888 16244911 CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=NC=C2)C.Cl Cl- 1 2.139 2 2 -3.59072187718367e-002 16244880 CCCC[N+]1=C2C=CC=CC2=CC3=CC=CC=C31.[I-] I- 1 5.162 1 0 4.91424056703386 16244818 C1=CC(=CC=C1NC(=O)CN2C=CSC2=N)S(=O)(=O)N.Cl Cl- 1 -0.602 4 3 0 -17.8595420778405 16244793 CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.211 3 5 0 -17.2755224340343 16262599 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.581 3 4 0 -13.1854226254003 16243659 CC1=C(C(=CC=C1)NC(=O)CNCC(=O)NC2=CC=CC(=C2C)C)C.Cl Cl- 1 3.001 3 2 -3.73552434784946 16243658 C1=CC(=C(C(=C1NC(=O)CNCC(=O)NC2=C(C(=C(C=C2)F)F)F)F)F)F.Cl Cl- 1 2.29 3 2 -4.93014827014592 16243527 C1CCC(=NCC1)NC2=C(C=C(C=C2)Cl)F.Br Br- 1 3.248 2 0 -0.680157065962071 16243431 CC1=C(C=C(C=C1OC)C(=O)N2CCCN(CC2)C)OC.Cl Cl- 1 1.717 2 3 0 -4.30341099808076 16243429 CCOC1=C(C=C(C=C1Br)C(=O)N2CCCN(CC2)C)OC.Cl Cl- 1 2.328 2 3 -6.19307349212545 16243405 CC(C)C1=CC=CC=C1NCC(=O)N2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 3.639 3 1 -3.69857943425327 16261938 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C4=CC=CC=C4 1 1.466 6 5 0 -14.6955019270302 16261782 CCC1=NOC(=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(CC)CC)N3CCCC3)C 1 2.601 4 4 0 -24.0211400425221 16261712 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CC3=C(C=CC=C3Cl)F 1 3.957 3 3 -18.1452237222399 16243236 CCOC(=O)C1=C(NC(=C1C(=O)C(CC2=CC=CC=C2)N(C)C)C)C.Cl Cl- 1 3.204 2 3 -1.8339489337101 16243235 CN(C)C(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=CC=C2.Cl Cl- 1 3.471 1 3 -1.84309152937905 16243140 CN(C)C(CC1=CC=CC=C1)C(=O)C2=CNC3=CC=CC=C32.Cl Cl- 1 3.909 2 1 2.81265603163085 16243129 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3.Cl Cl- 1 2.237 4 4 0 -23.1732980884569 16261541 C1CCN(C1)C2=CC=CC=C2NC(=O)CC3=CC=C(S3)S(=O)(=O)N4CCOCC4 1 2.155 3 4 0 -17.1609100012056 16243067 CC(=O)NC1=CC=C(C=C1)C(=O)C(CC2=CC=CC=C2)N(C)C.Cl Cl- 1 2.736 2 2 -3.21586677279587 16242987 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 -8.9e-002 3 7 0 -15.590557127419 16242833 CC1=C(SC=C1)/C=C\2/CN(CC3=C(C4=CC=CC=C4N=C23)C(=O)O)C.Cl Cl- 1 1.252 2 2 0 2.89093969566687e-002 16242711 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N.Cl Cl- 1 1.237 4 2 0 -10.3644005036395 16242627 CC1CCCC(N1N/C=C\2/C=CC(=O)C(=C2)O)C 1 1.021 2 2 0 -2.39053020146735 16242622 C[N+]1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)C#N.[Cl-] Cl- 1 4.219 3 0 1.24498726618279 16242559 C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=O)CN2C=CSC2=N.Cl Cl- 1 1.252 4 3 0 -12.0807133209704 16242557 COC1=CC(=CC(=C1)NC(=O)CN2C=CSC2=N)OC.Cl Cl- 1 0.66 3 3 0 -15.5510993666067 16242527 C[N+]1=CN(C2=CC=CC=C21)CC3=C(C=CC(=C3)Cl)OC(F)F.[Br-] Br- 1 5.81 2 1 8.73795967625286 16242498 CC1=CC(=C(C=C1)C)S(=O)(=O)NCCN2CCOCC2.Cl Cl- 1 1.539 2 3 0 -7.7103914024781 16242497 CC1=CC(=C(C=C1)S(=O)(=O)NCCN2CCOCC2)C.Cl Cl- 1 1.539 2 3 0 -6.04481812394504 16242430 CC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4.Cl Cl- 1 2.364 3 5 0 -19.4526890131531 16242410 CCN1C/C(=C\C2=CC(=C(C=C2)O)OCC)/C(=O)/C(=C/C3=CC(=C(C=C3)O)OCC)/C1.Cl Cl- 1 4.437 1 5 1.87142316938382 16242346 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(C)C2CCN(CC2)C.Cl Cl- 1 2.458 2 2 4.14222160431752 16242343 C1C=C(CS1(=O)=O)CSC(=[NH2+])N.[Br-] Br- 1 9.9e-002 2 2 0 -4.9771936773864 16242255 C1COCCN1CCNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl.Cl Cl- 1 1.896 2 3 0 -6.52912954710506 16242254 CC1=C(C(=CC=C1)C)NCC(=O)N2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 3.417 3 1 -3.28126545323949 16242214 CC1=C(C(=C(C=C1)C)OCC(CN2CCC3=CC=CC=C3C2)O)C.Cl Cl- 1 4.558 1 2 -6.08272080096105 16242189 CC1=CC=C(C=C1)C2=C3C4=C(CCCC4)SC3=NC(=C2CC(=O)O)C.Cl Cl- 1 5.075 1 2 -6.69510716563519 16242082 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(O2)Br)S(=O)(=O)N3CCCCC3 1 2.805 2 6 0 -20.5078619586608 16242056 CCC[N+]1(CCCCC1)CC#CCC(C2=CC=CC=C2)C3=CC=CC=C3.[Br-] Br- 1 5.125 1 0 -6.84571694049882 16241982 CC(C1=CC=CC=C1)NC(=O)C[N+]2=CC=CC(=C2)Br.[Cl-] Cl- 1 3.203 2 1 -9.09065448321259 16241978 CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)OC(F)F.[Cl-] Cl- 1 3.038 3 2 -5.69124154649685 16241953 C1C2CC3CC1CC(C2)(C3)CNCC4=CC=CC=C4O.Cl Cl- 1 3.6 1 1 8.73192829308239 16241916 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NCCN2CCOCC2.Cl Cl- 1 1.343 3 4 0 -21.1760464700483 16241912 CC(C1=CC=CC=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)C.[Cl-] Cl- 1 2.195 2 2 -10.7508970373748 16241897 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)CNCCN(C)C.Cl Cl- 1 3.586 3 3 -3.0135526686589 16241885 C1CN(CCN1CCO)S(=O)(=O)C2=CC3=CC=CC=C3C=C2.Cl Cl- 1 1.273 2 3 0 -9.61293831432789 16241877 CCN(CC)CCN1C2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=C(C=C3)Cl.Cl Cl- 1 4.081 4 2 -3.48521601864383 16241720 CC1CCCCN1CC(COCC2=CC(=C(C(=C2)OC)OC)OC)O.Cl Cl- 1 2.507 1 5 -10.3503363347251 16241713 CC(CN1CCCCC1)OC(=O)/C=C/C2=CC=C(C=C2)OC.Cl Cl- 1 3.57 1 3 -3.66232736273716 16241710 CC1CCCC(N1CC(C)OC(=O)C2=CC=CC=C2F)C.Cl Cl- 1 4.079 1 2 -8.91274516734094 16241709 CC1CCCC(N1CC(C)OC(=O)C2=CC(=CC=C2)F)C.Cl Cl- 1 4.079 1 2 -8.39749746693221 16241664 CN(C)C(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C3=CC=CC=C3.Cl Cl- 1 3.4 2 2 -4.75330618771197 16241656 CC1=C(/C(=C\2/C=C(C=CC2=O)Br)/NC3=CC4=C(C=C13)OCO4)C.Cl Cl- 1 3.599 1 3 -4.6003946269483 16241593 CN(C)CCN1C(=O)/C(=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])/SC1=NC3=CC=C(C=C3)OC.Cl Cl- 1 4.666 4 4 0 -5.46529945479162 16241551 COC1=CC=CC(=C1)N2C3=[N+](C=C(C=C3)C(=O)N)/C(=C(/NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)\[O-])/C2=S 1 1.812 5 6 0 -22.4117088258232 16241553 CCOC1=CC=C(C=C1)N2C3=[N+](C=C(C=C3)C(=O)N)/C(=C(/NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)\[O-])/C2=S 1 2.16 5 6 0 -23.8643870784886 16241568 CN1CCCN(CC1)C(=O)CC2(CCCCC2)CC(=O)O.Cl Cl- 1 -1.679 2 3 0 -4.29932315686689 16241438 CC1CCCCN1CC(COC2CC(CC(C2)(C)C)C)O.Cl Cl- 1 3.541 1 2 -6.74689975058159 16241437 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)/C=C/C#N.Cl Cl- 1 1.508 3 2 0 0.200401045452622 16241409 CN1CCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br.Cl Cl- 1 2.437 3 3 -3.81465789021247 16241408 CCN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl.Cl Cl- 1 -1.488 2 4 0 -15.7862956121786 16241290 CC1CN(CC(O1)C)CC(=O)C2=CC=CC=C2Cl.Br Br- 1 2.683 1 2 -6.98384420153979 16241264 C/C(=C\1/C=CC(=CC1=O)OC)/NN=C(N)N 1 -0.612 4 2 0 -2.28907999364322 16241107 CN1CCCC(C1)OC(=O)C2=CC(=C(C(=C2F)F)F)F.Cl Cl- 1 3.135 1 2 -3.05544066435586 16241090 CC1=CC=CC(=C1C)C(=O)OC2CCCN(C2)C.Cl Cl- 1 3.286 1 2 -2.31307237622349 16241072 CC1=CC(=CC=C1)OCC(CN2CCC3=CC=CC=C3C2)O.Cl Cl- 1 3.586 1 2 -5.61985827448602 16241017 CN(CC(COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)Cl)O)C3CCCCC3.Cl Cl- 1 2.768 2 5 0 -23.2087033409848 16240982 C1OC2=C(O1)C=C(C=C2)OCC(CN(CCO)CC3=CC=CC=C3)O.Cl Cl- 1 2.253 1 5 -1.30724459968537 16240979 CC(C)C1=CC=C(C=C1)OCC(CNC(C)C2=CC=CC=C2)O.Cl Cl- 1 4.06 1 2 1.146435942794 16240978 CC1=C(C(=CC=C1)C)OCC(CNC(C)C2=CC=CC=C2)O.Cl Cl- 1 3.839 1 2 -1.29821086046311 16240812 CN(C)C1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)OC)/O)/C(=O)C(=O)N2CCCN4CCOCC4 1 2.41 3 5 0 -11.9511916409562 16240808 C1COCCN1C2=C(C=C(C=C2)N3CC4=CC=CC=C4C3=N)S(=O)(=O)NC5=CC=C(C=C5)Cl.Br Br- 1 3.63 4 3 0 -3.97432547501292 16240761 CC1=CC(=CC(=C1)OCC(CN2CCC3=CC=CC=C3C2)O)C(C)C.Cl Cl- 1 4.78 1 2 -5.72640615555521 16240702 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 2.149 4 3 0 -13.5614851124189 16240690 C1CN(CCC1N(C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)F)CC4=CC=CC=C4.Cl Cl- 1 4.72 2 1 1.36213728114223 16240687 C1CN(CCC1N(C2=CC=CC=C2)C(=O)CCC3=CC=CC=C3)CC4=CC=CC=C4.Cl Cl- 1 5.005 2 1 -2.78924980430389 16240615 CC1=CC=C(C=C1)NC(=O)CNC(C)C2=CC=CC=C2.Cl Cl- 1 2.867 2 1 -3.93930865102421 16240614 C[N+]1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC.[I-] I- 1 2.202 2 2 -8.04919390396859 16240521 C1=CC2=C(C(=O)N=C2C=C1)NN/C=C\3/C=CC(=O)C(=C3)O 1 -0.287 3 3 0 -2.5033986241253 16240509 CC1=C(C=C(C=C1)S(=O)(=O)NN/C=C/2\C=CC(=O)C=C2O)[N+](=O)[O-] 1 0.552 3 6 0 -7.36766707139539 16240452 COC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=C(C=C4)F)/O 1 3.53 2 4 -3.75563992128083 16240451 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)O)OCC)/CN(C2)C)O.Cl Cl- 1 4.088 1 5 2.72786732834085 16240364 COC1=CC=C/C(=C\NNC(=O)NC2CCCCC2)/C1=O 1 0.884 3 3 0 -7.81151410002726 16240331 CCOC1=CC=C(C=C1)OCC(CN2CCC3=CC=CC=C3C2)O.Cl Cl- 1 3.432 1 3 -7.79526836462031 16240284 C1=CC=[N+](C=C1)/C(=C(\C2=CC=C(C=C2)OC(F)F)/[O-])/C(=S)NC3=CC=CC=C3F 1 5.109 2 2 -0.919416647184512 16240278 CC1=CC=C(S1)C(=O)N(C2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4.Cl Cl- 1 4.613 2 1 -0.130758732364167 16240250 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCN(CC2)C.Cl Cl- 1 1.347 3 4 0 -12.5996174286993 16240160 CN1CCC(CC1)N(C)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3.Cl Cl- 1 0.823 3 4 0 -16.8589337302807 16240108 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3.Cl Cl- 1 3.813 4 4 0 -23.3490041661159 16240066 C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4.Cl Cl- 1 3.462 4 1 1.25652336012728 16239894 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 2.798 4 3 0 -15.2847458324423 16239889 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 2.161 5 4 0 -20.6614064952127 16239877 C1CN(CCC1NC(=O)C2=CC=CC=C2OCC3=CC=CC=C3)CC4=CC=CC=C4.Cl Cl- 1 4.299 2 2 -4.07218857598838 16239860 CN1CCN(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)Cl.Cl Cl- 1 2.525 4 3 0 -4.45580040515476 16239850 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3CC(NC(C3)(C)C)(C)C.Cl Cl- 1 2.468 5 3 0 -29.425663234184 16239732 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NCC(=O)N3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 2.959 4 4 0 -6.81992780258804 16239728 CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C.Cl Cl- 1 1.452 2 2 0 -13.3037189710252 16239608 C1CN(CCC1NC(=O)C2=CC(=CC=C2)OC(F)F)CC3=CC=CC=C3.Cl Cl- 1 3.537 2 2 -1.81367180191427 16239449 CCN1CCN(CC1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C.Cl Cl- 1 1.519 3 3 0 -6.39076070258787 16239411 CC(=C)C[N+]1=CN(C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-] Cl- 1 5.403 2 0 1.61157954857425 16239300 COC1=CC=C(C=C1)N2C=C(NC2=S)C3=CC=C(C=C3)Cl.Br Br- 1 4.483 2 1 0.244028237345206 16239233 C1=CN(C=N1)CCCNC(=O)C2=CC(=CC(=C2)Cl)Cl.Cl Cl- 1 2.171 3 1 -3.62767025395525 16239199 CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC(=C(C=C3)OC(=O)C)OC.[I-] I- 1 5.012 1 3 5.6285368963176 16239174 C1=CC2=C(C=CN=C2C=C1Cl)NN/C=C/3\C=CC(=O)C=C3O 1 2.085 3 2 1.73155806337219 16239110 CCN(CC)CCCNC(=O)COC1=CC2=C(C=C1)OC3=C2CCCC3.Cl Cl- 1 3.458 2 3 -12.1757265638976 16239054 CN1CCCC(C1)OC(=O)C2=CC=C(C=C2)C#N.Cl Cl- 1 2.192 2 2 -6.75908833413734 16239052 CN1CCCC(C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C.Cl Cl- 1 1.43 2 4 0 -9.70438331678979 16239049 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC4=CC=C(C=C4)C#N.Cl Cl- 1 1.756 4 5 0 -22.0784281628238 16238951 CN1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC.Cl Cl- 1 0.95 2 3 0 -13.7166851801693 16238908 CN(C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4.Cl Cl- 1 3.568 3 4 0 -6.70293712475413 16238907 CN1CCC(CC1)N(C)C(=O)/C(=C/C2=CC=CC=C2)/C#N.Cl Cl- 1 1.661 3 1 0 -5.21828875092186 16238906 CC1CCCCN1CC(COCC2=CC=CC=C2)O.Cl Cl- 1 2.556 1 2 -6.52611110301371 16238888 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl.Cl Cl- 1 3.027 3 3 -13.6926284156562 16238744 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3.Cl Cl- 1 1.581 3 4 0 -13.7024448009421 16238704 CC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)O.Cl Cl- 1 -0.537 3 6 0 -23.1951760084256 16238683 CC(C1=CC=CC=C1)NCC(COC2=CC=C(C=C2)OC)O.Cl Cl- 1 2.85 1 3 -0.238142268912541 16238666 CC(C)(CN1CCCC1)NS(=O)(=O)C2=CC=CC=C2.Cl Cl- 1 1.923 2 2 0 -7.74146900467366 16238625 CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 3.911 3 3 -3.95008333316282 16238618 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(S3)N=C5C=CC=CN5C4=O.Cl Cl- 1 2.442 4 3 0 -14.6133859421321 16238550 CN(C)CC1CCCCC1OC(=O)C2=CC=C(C=C2)OC.Cl Cl- 1 3.304 1 3 -3.06290678024025 16238528 C1CCN(CC1)CC(COCC2=CC=CC=C2F)O.Cl Cl- 1 2.384 1 2 -4.15437396303023 16238486 CN1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3.Cl Cl- 1 0.779 3 3 0 -16.256095514358 16238482 C1CN(CCC1NC(=S)NC(=O)C2=CC=C(C=C2)F)CC3=CC=CC=C3.Cl Cl- 1 3.811 3 1 -4.92585055466129 16238368 CN1CCC(CC1)N(C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl.Cl Cl- 1 4.152 3 1 -0.410272648454772 16238358 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC.Cl Cl- 1 2.147 3 5 0 -20.1343240828812 16238264 CCOC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C)CCC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)OCC.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 7.445 1 4 5.45871745533266 16238244 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3.Cl Cl- 1 4.219 3 3 -8.68181033312897 16238226 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-].Cl Cl- 1 1.583 4 5 0 -7.62488050886429 16238223 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N.Cl Cl- 1 3.406 3 3 -13.4527730136288 16238215 CC(C)(C)C1=CC(=CNNC(=O)C[N+]2=CC=CC=C2)C=C(C1=O)C(C)(C)C.[Cl-] Cl- 1 3.184 3 2 -4.87568657736988 16238141 CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)[NH2+]C3=CC=C(C=C3)S(=O)(=O)N.[Br-] Br- 1 1.103 5 3 0 -2.39555291946056 16238000 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 3.211 3 3 -13.7091030665625 16237923 CN(C)CCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2.Cl Cl- 1 2.394 3 3 -20.4332513748867 16237921 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 3.706 3 3 -5.75956214305914 16237915 CC1=C(C=C(C=C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)NC4=CC=CC=C4OC.Cl Cl- 1 3.689 3 4 0 -10.5939575017749 16237864 C=CCC1=CC=C/C(=C\NNC(=O)C[N+]2=CC=CC=C2)/C1=O.[Cl-] Cl- 1 1.431 3 2 0 -10.4127575089582 16237819 CC1=C(N2CCN=C2S1)C3=CC=C(C=C3)OC.Br Br- 1 2.327 2 1 -3.7650095209068 16237802 C1COCCN1CCNC(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4.Cl Cl- 1 3.459 4 2 -1.43422209521951 16237791 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)NCCN(C)C)Cl.Cl Cl- 1 1.421 5 4 0 -19.4313962481793 16237787 CN1CCC(CC1)N(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3.Cl Cl- 1 0.159 3 4 0 -18.3464694036758 16237755 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 2.819 3 3 -15.6320268297441 16237676 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=C(C(=C4F)F)F)F.Cl Cl- 1 3.374 2 3 -2.07753069527909 16237523 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 3.275 3 3 -15.6320268297441 16237419 CC1=CC(=O)N=C(N1)NN/C=C/2\C=NC3=CC=CC=C32 1 0.408 5 1 0 -7.01174699104381 16237407 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)C3CCN(CC3)C.Cl Cl- 1 0.914 3 4 0 -18.3238243110613 16237309 CC1CC(CN(C1)CC(COCC2=CC=CC=C2F)O)C.Cl Cl- 1 3.023 1 2 -6.98935020397498 16237269 C1=CC(=CC(=C1)F)/C=C/C(=O)NCCCN2C=CN=C2.Cl Cl- 1 1.515 3 1 0 -2.98155537962466 16237156 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC.Cl Cl- 1 4.002 3 4 0 -13.2887082748484 16237016 C1CN(CCC1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)F)Cl)CC4=CC=CC=C4.Cl Cl- 1 4.09 3 3 -3.51886983250151 16237010 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 4.228 3 1 -5.05084575237745 16236998 CN1CCN(CC1)CC(COC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)O.Cl Cl- 1 4.16 2 2 -1.96251474048999 16236996 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C.Cl Cl- 1 4.192 3 3 -7.73624125645065 16236884 COC1=C/C(=C/NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)/C=CC1=O 1 2.781 3 3 -7.12839699619575 16236854 CC1CCCC(N1CC(COCC2=CC=CC=C2)O)C.Cl Cl- 1 2.934 1 2 -8.53040226553675 16236853 C1CN(CCC1CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)Cl)O.Cl Cl- 1 4.763 1 2 3.26331311050225 16236812 C1C2=CC=CC=[N+]2C(C1(C3=CC=CC=C3)O)C4=CC=CC=C4.[Br-] Br- 1 4.055 1 1 1.51375624804059 16236811 C1CSC(=N1)NNC2=CC=CC=C2.Br Br- 1 2.253 3 0 -5.6080685813829 16236791 C1CCC(=NCC1)NNC2=CC=CC=C2.Cl Cl- 1 2.401 3 0 -3.84547134249648 16236773 COC1=C(C=CC(=C1)C(=O)[O-])Cl.[NH4+] NH4+ 1 0.633 0 3 0 -5.22952199799507 16236643 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=CC(=C3)C#N.[Br-] Br- 1 3.354 3 2 -6.96340637341406 16236641 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)C#N.[Br-] Br- 1 3.354 3 2 -8.87617575422007 16236550 C1=CC=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=CS3.[Br-] Br- 1 3.435 2 2 -13.3453065435902 16236485 CSC1=CC=C(C=C1)C2(CC3=CC=CC=[N+]3C2C4=CC=CC=C4)O.[Br-] Br- 1 4.597 1 1 5.12207476020482 16236379 C[N+]1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)OC.[I-] I- 1 2.202 2 2 -3.92476972709921 16236318 CCC1=CC=C(C=C1)C(=O)CN2C=CSC2=N.Br Br- 1 2.255 2 1 -9.09831333196425 16236316 CC1=CC=C(C=C1)N2C3=[N+](CCCCC3)C=C2C4=CC=C(C=C4)OC.[Br-] Br- 1 5.781 2 1 2.39877004366328 16236314 CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC=C3)C.[Cl-] Cl- 1 7.521 2 3 -5.51807181050749 16236034 CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)[NH2+]C3=CC=CC=N3.[Br-] Br- 1 1.786 5 1 0 0.676929064289934 16235993 C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)O.[I-] I- 1 4.669 1 1 7.98387870649076 16235831 CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC=C3O)C.[Br-] Br- 1 3.506 2 2 3.46977240165693 16235770 COC1=CC=C(C=C1)N2C3=[N+](CCC3)C=C2C4=CC=CC=C4.[Br-] Br- 1 4.383 2 1 2.64765846487444 16235748 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NC3CCS(=O)(=O)C3 1 1.383 2 5 0 -22.1175987356196 16235522 CCOC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)CN3CCOCC3)Br)O 1 4.285 1 5 7.32180719547342e-002 16235513 C1=CC(=C[N+](=C1)CC(=O)NCC2=CC=C(C=C2)Cl)C(=O)N.[Cl-] Cl- 1 1.744 3 2 0 -9.75347252213786 16235494 CC1CC(CN(C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C 1 1.94 4 4 0 -23.7709511807277 16235355 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCC4=CC=CC=C43 1 1.21 5 4 0 -15.1586265217677 16235325 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F 1 3.504 2 4 -11.1749446771501 16235321 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 1.788 4 5 0 -21.0520236541616 16235317 CC(C)C1=CC=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3 1 3.83 2 3 -13.3105426306402 16235315 CC(CC(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2)C3=CC=CC=C3 1 2.826 2 4 -18.8720245208068 16235311 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C 1 2.892 3 4 0 -15.4485572911159 16235306 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.448 5 5 0 -24.3548332532885 16235266 C1COCCN1C(CNC(=O)C2=CC(=O)NC3=CC=CC=C32)C4=CC=CS4 1 1.706 3 3 0 -18.5060471456228 16235098 CCOC(=O)C1=C(NC(=C(C1C(=O)OCC(=O)NC2(CCCCC2)C#N)C(=O)OCC)C)C 1 1.414 3 7 0 -20.2718094417523 16234675 COC1=CC=CC=C1NC(=O)CC2=CSC=C2 1 2.295 1 2 -10.3809613432295 16234535 CCCN(CC(=O)NC1=C(C=C(C=C1)Cl)Cl)C(=O)C2=CNC(=O)C=C2 1 1.888 3 3 0 -13.1452549248414 16233517 CC1=CN=C(C=C1)NC(=O)COC2=CC3=C(CCC3)C=C2 1 3.381 2 2 -8.84656668717378 16233442 CCC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.7 2 5 0 -19.7169936279488 16233434 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC3=C2C=CC=N3 1 2.74 3 2 -9.0765309034635 16233430 CC(C(=O)NC1=CC(=C(C=C1)F)S(=O)(=O)N2CCOCC2)OC3=CC=CC=C3 1 1.944 2 5 0 -21.7483110172767 16233392 COC1=C(C=C(C=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 2.926 3 5 0 -26.0286599008992 16233329 CC1=CC=CC=C1OCC(=O)NNC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.25 3 6 0 -14.0526377273583 16233322 CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=NN=C(S3)C4CC4 1 3.619 4 4 0 -18.4586686851377 16233306 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCCC3=CC=C(C=C3)C(F)(F)F 1 3.157 2 4 -18.508750041948 16233296 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)F 1 2.49 2 4 -10.9610004070397 16233257 COC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.559 1 6 0 -10.2212693507358 16233256 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC(=CC=C2)Cl 1 0.917 1 5 0 -15.611977994969 16233241 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC=C(C=C3)C(F)(F)F 1 4.594 2 3 -7.69976448577448 16233235 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)Cl 1 3.245 1 5 -9.84092639779726 16233230 CC(C1=CC=CC=C1)NC(=O)COC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 3.945 1 5 -16.1325508039783 16233226 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=C(C=C(C=C2)F)Cl 1 1.122 1 5 0 -13.8206787494526 16233224 C1CCC2=C3C(=NN(C3=O)C4=CC=CC=C4)N=C(N2CC1)SCC(=O)NC5=C(C=C(C=C5)F)F 1 3.606 5 2 0 -19.0675686860595 16233222 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 2.825 2 6 0 -23.0393105265149 16233221 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)OC)S(=O)(=O)N3CCCCC3 1 2.825 2 6 0 -22.8224430360489 16233181 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3OC)C 1 3.144 4 4 0 -18.2051827363005 16233173 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C)C3CCS(=O)(=O)C3)C 1 1.58 4 3 0 -23.5831804266329 16233161 CC(CNC(=O)CN1C(=O)C(NC1=O)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 3.561 3 5 0 -11.7796527047288 16233159 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)OC(F)F)S(=O)(=O)N3CCCCC3 1 3.647 2 6 0 -20.7582761361967 16233158 CCCOC1=CC=CC=C1OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3 1 2.517 3 5 0 -14.7316232774663 16233155 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC(=O)NC2CCCC3=CC=CC=C23 1 2.367 2 5 0 -13.7883168449495 16233142 CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 3.328 2 5 0 -21.1378762112321 16233141 CC1CCCCN1C(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl 1 2.877 3 3 -15.3591338963249 16233082 COC1=C(C=CC(=C1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])OC(F)F 1 2.885 2 8 0 -18.3686423338312 16233054 CC(=O)C1=CC(=C(C=C1)OCC(CN(C)CCC2=CC(=C(C=C2)OC)OC)O)OC 1 3.037 1 6 0 -9.98200574707347 16233044 CC(CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2)C3=CC=CC=C3 1 2.145 2 5 0 -20.470845678465 16233041 CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F 1 2.976 2 5 0 -21.7136750377332 16233030 CC1=C(C=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)N3CCCCCC3 1 3.217 2 5 0 -23.3986459060849 16233026 CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 3.305 2 5 0 -26.4738030900525 16233016 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4 1 1.927 3 4 0 -21.7399035716911 16233014 CC1C2=CC=CN2CCN1S(=O)(=O)C3=CC=C(C=C3)C 1 2.697 2 2 -17.1081231750769 16233013 CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3 1 2.849 2 5 0 -27.4565252536959 16233012 C1CCC(CC1)CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 3.632 2 5 0 -26.1387800429719 16232992 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)/C=C/C3=CC(=C(C=C3OC)OC)OC 1 1.833 3 7 0 -20.8718741986725 16232987 CC(C(=O)NCC(=O)NC1=C(C(=C(C=C1)F)F)F)N2CCN(CC2)C3=CC=C(C=C3)O 1 2.504 4 3 0 -9.58172619415176 16232957 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCN(CC3)C4=CC=C(C=C4)O 1 2.043 4 4 0 -14.1709796357003 16232932 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl 1 3.332 3 3 -12.523570281512 16232916 CCCN(CC(=O)C1=C(N(C(=O)N(C1=O)C)CC2=CC=CC=C2)N)CC(=O)NC3=CC=CC=C3OC 1 1.953 5 5 0 -16.9927198882223 16232912 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.401 3 4 0 -24.7223957396433 16232886 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)OC 1 2.618 2 6 0 -18.578872482849 16232874 CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.7 2 6 0 -19.7718655403259 16232852 CC1=C(C=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NCC3=CC=CC=C3OC)C4=CC=CC=C4)C 1 3.91 3 4 0 -12.2602645165164 16232847 CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CC=CC=C2C)S(=O)(=O)N3CCCCC3 1 3.363 2 5 0 -21.4990445945992 16232844 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)NCC(=O)NC4=CC=C(C=C4)F 1 1.16 4 4 0 -11.7621836377306 16232834 CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)C 1 2.718 2 6 0 -23.936624585968 16232820 C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O 1 4.003 2 4 -4.36723246865697 16232802 CC1(CCS(=O)(=O)C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)C(C)(C)C 1 1.459 2 4 0 -15.1794563452795 16232786 C1=CC(=CC=C1CCNC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl)S(=O)(=O)N 1 2.171 3 5 0 -20.1269630237915 16232704 COC1=CC=CC(=C1)N2CCN(CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.447 4 4 0 -13.4990715384202 16232692 CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N(C)C)OCO2 1 1.021 3 6 0 -19.8280948413584 16232680 CN(C)S(=O)(=O)C1=CN=C(C=C1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.091 4 5 0 -24.8577425336682 16232674 CC1=C(N=C(N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl)CC3=CC=CC=C3 1 3.754 3 3 -11.8282801129113 16232647 CC(C)C(C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)NC(=O)CC3=CC=CC=C3 1 3.959 3 2 -8.57087798221147 16232635 COC1=C(C=CC(=C1)C(=O)NCC2CCCO2)OCC3=CC=C(C=C3)Cl 1 3.611 1 4 -14.3799762181193 16232629 CCC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 4.306 3 1 -3.99738357805264 16232627 COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC3CCCO3)C4=CC=C(C=C4)F 1 3.759 3 3 0.612713951100933 16232625 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)NCC3CCCO3 1 0.594 3 5 0 -31.1503532517347 16232615 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32 1 2.547 3 3 -12.9018323467619 16232614 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NNC(=N2)C3=CC=CS3 1 3.358 4 3 0 -13.605012268878 16232609 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 1.865 4 3 0 -9.06438319444723 16232602 CC1CC2=CC=CC=C2N1C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 1.985 3 3 0 -19.328875543712 16232595 CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C 1 2.622 4 3 0 -27.8430352737188 16232552 CC1CCCC2(C1)C3=C(C(CN2)C4=C(C(=CC=C4)OC)OC)C5=CC=CC=C5N3.Cl Cl- 1 5.312 2 2 -6.2235792893231 16232432 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C)NC(=O)NC3=CC=CC=C3F 1 2.662 5 3 0 -12.970930737754 16232405 C1=CC(=CC(=C1)S(=O)(=O)NCCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N)C(F)(F)F 1 0.572 4 5 0 -13.1780491425438 16232379 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=NNC(=O)C=C3 1 2.411 4 4 0 -20.7244835623364 16232373 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCCSC3=CC=CC=C3)Cl 1 3.046 2 4 -20.35809134843 16232372 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CCNC(=O)C2=CC=CC=C2OC 1 1.006 3 6 0 -23.2995036336146 16232369 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(C)C 1 1.749 3 5 0 -18.543006876406 16232136 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)[C@H](C)NC2=NS(=O)(=O)C3=CC=CC=C32 1 -6.7e-002 3 7 0 -23.3884560592948 16232033 C1CCC(CC1)NC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 2.632 3 3 -7.87832538280779 16231989 CC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2N3CCCCC3)OC 1 3.252 2 4 -12.5309694269672 16231976 CC1=CC2=C(C=C1)C(=CO2)CC(=O)N(CC3CCCO3)C4=C(N(C(=O)NC4=O)CC5=CC=CC=C5)N 1 2.436 4 5 0 -9.35408810920364 16231975 CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2CC(=O)N(C2)CC3=CC=CO3 1 2.873 2 4 -7.00554399500226 16231973 CC1CC2=CC=CC=C2N1C(=O)CN(C)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 4.37 3 3 -7.87814989029095 16231964 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CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O)C 1 3.316 2 5 0 -19.747384192872 16229245 CN(C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 3.833 2 7 0 -17.9331205526425 16229240 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=C(C=CC(=C3)OC)OC)C 1 3.235 2 5 0 -14.283135187739 16229238 CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4)C(=O)OCC 1 2.795 4 6 0 -28.5233457661344 16229185 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CCN(CC3)C4=CC=CC=N4 1 2.302 6 2 0 -4.40640967062119 16229067 C1CCN(C1)C(=O)CSC2=NN=CN2C3=CC=CC=C3 1 1.786 4 1 0 -12.5030507537779 16229063 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCOC3=CC=C(C=C3)C 1 3.363 1 6 0 -22.4252808063113 16228986 CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)OC)OC 1 3.934 1 5 -15.2874041097497 16227095 C1CC(OC1)COC2=CC=CC=C2C(=O)O 1 1.802 0 4 0 -7.8209706360488 16227018 COC1=CC=C(C2=CC=CC=C21)C(=O)N3CCCC(C3)C(=O)O 1 2.372 1 4 -5.82546094104839 16226845 C1CC(CN(C1)C(=O)C2=CC=CC3=CC=CC=C32)C(=O)O 1 2.389 1 3 -5.30764306889047 16226806 C1CC(OC1)N2C=C(C(=O)N(C2=O)CC(=O)O)F 1 -0.938 2 5 0 -18.3979895131288 16226678 C1=CC=C2C(=C1)/C(=C/3\NNC(=S)O3)/C=N2 1 2.113 3 1 -1.30008086688584 16220048 C1=CC(=CC=C1/C=C(/C#N)\C(=C(C#N)C#N)N)O 1 0.884 4 1 0 -3.71080995534868 16219989 C(CCNCCCN)CN.Cl Cl- 1 -1.169 3 0 0 0.508041975246984 16219954 CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3C[C@@H](N(C[C@H]3C)CC=C)C 1 4.94 3 2 -14.1307054028533 16219936 C1CN(CC=C1C2=CC=C(C=C2)F)C(CCOC3=CC=C(C=C3)C(=O)N)O.Cl Cl- 1 3.162 2 3 -5.92595183375044 16219670 C[C@](CCP(=O)(O)O)(C(=O)O)N.Cl Cl- 1 -3.9 1 5 0 -4.31390982194342 16219661 CN1C=C(N=C1)CCN.Cl Cl- 1 -0.508 3 0 0 -2.89315617704696 16219629 COC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCC=C4)CCN3)C=C1.Cl Cl- 1 2.694 1 1 -2.29524129165809 16219601 CCOC(=O)C1=C2[C@@H]3CCNC3C(=O)C4=C(N2C=N1)C=CC(=C4)OC 1 1.592 3 4 0 -8.59043813039291 16219577 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.O.Cl Cl- H2O 1 2.626 2 1 -8.00722331740074 16219550 COC(=O)C(CCCCN)N.Cl Cl- 1 -0.536 2 2 0 -9.21098838835666 16219509 C1CN=C(N1)N(CC2=CC(=CC=C2)F)C3=C(C=CC=C3Cl)Cl.Cl Cl- 1 4.349 3 0 -1.76091337682134 16219462 C[C@@]12C(C(=C[C@@]13CCCN3CCC4=CC5=C(C=C24)OCO5)OC)OC(=O)[C@@](CCCC(C)(C)O)(CC(=O)O)O 1 -0.44 1 9 0 -14.9574717094877 16219459 C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4.Cl Cl- 1 5.703 2 1 -1.80445213421143 16219228 CC1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3C2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5CC6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O CS(=O)(=O)O 1 3.2 5 5 0 -3.91583679033882 16218977 C1=CN2[C@H]3[C@H]([C@H]([C@@H](O3)O)CO)OC2=NC1=N.Cl Cl- 1 -1.204 3 4 0 -5.07002830589264 16218853 C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N.O H2O 1 -2.989 1 4 0 -2.66706117754241 16218845 C1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)NC3=NC=NC4=C3N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)CC(=O)NCCN 1 -0.988 8 6 0 -21.0591476969869 16218597 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO)O.O H2O 1 -1.613 5 4 0 -10.2352674079704 16218531 CC[C@H]1[C@H](COC1=O)CC2=CN=C[NH+]2C.[N+](=O)([O-])[O-] NO3 1 0.146 2 2 0 -1.3554680057402 16213163 C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC=C(C=C4)Cl)C(=O)O 1 5.147 1 4 -7.98248009634342 16212299 C1=CC(=CC=C1C(=O)[O-])N.O.[Na+] H2O Na+ 1 -0.761 1 2 0 -2.02809768072888 16210795 CC(C(=O)NC1=C(N=CC=C1)Cl)OC2=C(C=C(C=C2)Br)Br 1 4.154 2 2 -6.43288445980672 16210755 C1CN(CCN1CCCNC(=O)C2=CC=CC=C2N)C3=CC(=CC=C3)Cl 1 2.786 4 1 0.478029124374897 16210738 CCOC(=O)C1(C2=CC=CC=C2NC1=O)CC3=CC=CC=C3 1 2.905 1 3 -3.8578700701095 16210700 COC1=C/C(=C/C=C/2\NC(=C(C(=O)N2)[N+](=O)[O-])O)/C=C(C1=O)CC=C 1 1.186 3 6 0 -4.55462479356712 16204922 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+] Na+ 1 2.124 0 4 -10.9899847889489 16197249 CN(C[C@H](CC1=CC=CC=C1)N(C[C@H](CC2=CC=CC=C2)N(CC3(CC3)C4=CC=CC=C4)N=O)N=O)N=O.[Na+] Na+ 1 5.902 6 3 0 -2.0200196287998 16197247 CN(C[C@H](CC1=CC=CC=C1)N(C[C@H](CC2=CC=CC=C2)N(CCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N=O)N=O)N=O.[Na+] Na+ 1 7.565 6 3 0 3.91058531608726 16197245 CC(C)CCN(C(CC1=CC=CC=C1)CN(C(CC2=CC=CC=C2)CN(C)N=O)N=O)N=O.[Na+] Na+ 1 5.356 6 3 0 -0.979713399230231 16197243 CCN([C@@H](CC1=CC=CC=C1)CN([C@@H](CC2=CC=CC=C2)CN(C)N=O)N=O)N=O.[Na+] Na+ 1 4.125 6 3 0 0.817270205567134 16197242 C1[C@@H](N(C(=S)N1)CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC3=CC=C(C=C3)O 1 6.492 2 1 2.33726299659894 16197241 C1CCC(CC1)CCCCN2[C@@H](CNC2=S)CC3=CC=C(C=C3)O 1 6.193 2 1 -1.5020671617167 16197240 COC1=CC(=CC(=C1OC)OC)CCCN2[C@@H](CNC2=S)CC3=CC=C(C=C3)O 1 5.015 2 4 -3.60989319890004 16197239 CCCC[C@@H]1CNC(=S)N1CCC2=CC(=CC=C2)F 1 4.936 2 0 -2.28990205415628 16197238 CCCC[C@@H]1CNC(=S)N1CCCC 1 4.154 2 0 -6.69690161546018 16197237 CCCC[C@@H]1CNC(=S)N1CCC2=CC=CC3=CC=CC=C32 1 5.638 2 0 -3.33052728653546 16197236 CCCC[C@@H]1CNC(=S)N1CCCC2=CC(=C(C(=C2)OC)OC)OC 1 5.137 2 3 -9.19939239047183 16197235 CCCCN1[C@H](CNC1=S)C2=CC=CC=C2 1 3.953 2 0 -3.46975252257318 16197234 CCCCN1[C@H](CNC1=S)C(C)CC 1 4.017 2 0 -7.77866245344374 16197233 COC1=CC(=CC(=C1OC)OC)CCCN2[C@H](CNC2=S)CCCCN 1 3.622 3 3 -8.3267692628085 16197232 C1CCC(CC1)CN2[C@H](CNC2=S)CCCCN 1 3.499 3 0 -5.46999877177289 16197231 C1[C@@H](N(C(=S)N1)CCC2=CC(=CC=C2)F)CCCCN 1 3.42 3 0 -1.41727892649295 16197230 COC1=CC(=CC(=C1OC)OC)CCCN2[C@H](CNC2=S)CC3=CC=CC=C3 1 5.257 2 3 -6.30458221481878 16197229 C1CCC(CC1)CCCCN2[C@H](CNC2=S)CC3=CC=CC=C3 1 6.435 2 0 -4.19675617763545 16197228 CCCCN1[C@H](CNC1=S)CC2=CC=CC=C2 1 4.274 2 0 -4.35439741537503 16197227 CC(C)C[C@@H](CN(C)N=O)N(C[C@H](CC1=CC=CC=C1)N(CCC2=CC=CC=C2)N=O)N=O.[Na+] Na+ 1 5.356 6 3 0 0.117775041980672 16197225 CN(C[C@@H](CC1=CC=CC2=CC=CC=C21)N(C[C@H](CC3=CC=CC=C3)N(CCC4=CC=CC=C4)N=O)N=O)N=O.[Na+] Na+ 1 6.589 6 3 0 4.79963322359103 16197223 CN(C[C@H](C1=CC=CC=C1)N(C[C@H](CC2=CC=CC=C2)N(CCC3=CC=CC=C3)N=O)N=O)N=O.[Na+] Na+ 1 5.359 6 3 0 0.952545409349943 16197221 CN(C[C@H](CC1CCCCC1)N(C[C@H](CC2=CC=CC=C2)N(CCC3=CC=CC=C3)N=O)N=O)N=O.[Na+] Na+ 1 6.353 6 3 0 -0.118382100972367 16197219 CN(C[C@H](CC1=CC=CC=C1)N(CCN(CCC2=CC=CC=C2)N=O)N=O)N=O.[Na+] Na+ 1 3.747 6 3 0 1.66586085547292 16197218 CC(C)C[C@@H](CN([C@@H](CC1=CC=CC=C1)CN(C)N=O)N=O)N(CCC2=CC=CC=C2)N=O.[Na+] Na+ 1 5.356 6 3 0 0.117775041980672 16197216 CCCC[C@H](CN([C@@H](CC1=CC=CC=C1)CN(C)N=O)N=O)N(CCC2=CC=CC=C2)N=O.[Na+] Na+ 1 5.561 6 3 0 6.02649239676339e-002 16197214 CN(C[C@H](CC1=CC=CC=C1)N(C[C@H](CC2CCCCC2)N(CCC3=CC=CC=C3)N=O)N=O)N=O.[Na+] Na+ 1 6.353 6 3 0 -0.118382100972367 16197212 CN(C[C@H](CC1=CC=CC=C1)N(C[C@@H](CC2CCCCC2)N(CCC3=CC=CC=C3)N=O)N=O)N=O.[Na+] Na+ 1 6.353 6 3 0 -0.118382100972367 16197211 C1CCC(CC1)CN2[C@H](CNC2=S)C3=CC=CC=C3 1 4.813 2 0 -2.27252828394701 16197209 CN(C[C@@H](CC1CCCCC1)N(C[C@H](CC2=CC=CC=C2)N(CCC3=CC=CC=C3)N=O)N=O)N=O.[Na+] Na+ 1 6.353 6 3 0 -0.118382100972367 16197208 C1[C@@H](N(C(=S)N1)CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CCCCN 1 5.099 3 0 -2.53507906084729 16197206 CC(C)[C@H](CN([C@@H](CC1=CC=CC=C1)CN(C)N=O)N=O)N(CCC2=CC=CC=C2)N=O.[Na+] Na+ 1 4.968 6 3 0 1.23627100607022 16197204 CN(C[C@H](CC1=CC=CC=C1)N(C[C@H](C2=CC=CC=C2)N(CCC3=CC=CC=C3)N=O)N=O)N=O.[Na+] Na+ 1 5.359 6 3 0 0.952545409349943 16197203 C1CCC(CC1)CCCCN2[C@H](CNC2=S)CCCCN 1 4.8 3 0 -5.76595428376275 16197202 C1[C@@H](N(C(=S)N1)CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3 1 6.734 2 0 -0.357426019319803 16197201 CCCC[C@@H]1CNC(=S)N1CCC23CC4CC(C2)CC(C4)C3 1 5.621 2 0 -2.66431580908102 16197200 COC1=CC(=CC(=C1OC)OC)CCCN2[C@H](CNC2=S)C3=CC=CC=C3 1 4.936 2 3 -5.28476476852039 16197199 C1CCC(CC1)C[C@H]2CNC(=S)N2CC3CCCCC3 1 5.807 2 0 -4.61511706138001 16197197 CCC(C)[C@@H](CN([C@@H](CC1=CC=CC=C1)CN(C)N=O)N=O)N(CCC2=CC=CC=C2)N=O.[Na+] Na+ 1 5.424 6 3 0 -1.5277350219526 16197195 CN(C[C@H](CC1=CC=CC=C1)N(C[C@@H](CC2=CC=CC3=CC=CC=C32)N(CCC4=CC=CC=C4)N=O)N=O)N=O.[Na+] Na+ 1 6.589 6 3 0 4.79963322359103 16197193 CC(C)(C)CCN(C(CC1=CC=CC=C1)CN(C(CC2=CC=CC=C2)CN(C)N=O)N=O)N=O.[Na+] Na+ 1 5.563 6 3 0 -9.3497205795979e-002 16197192 CCC(C)[C@H]1CNC(=S)N1CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F 1 6.478 2 0 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C#CCNC(=O)C1=C[C@H](C[C@H](O1)OCC2=CC=C(C=C2)CO)C3=CC=CC=C3 1 3.471 1 4 -5.07494026452624 16196999 C1CC1[C@H]2C[C@H](OC(=C2)C(=O)NCC3=CC=CC=C3)OCC4=CC=C(C=C4)CO 1 3.167 1 4 -6.70520831573251 16196998 CC(=O)N1C=C(C2=CC=CC=C21)[C@H]3C[C@H](OC(=C3)C(=O)NCC#C)OCCCCO 1 2.878 2 5 0 -3.62732070003335 16196997 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCC2=NC3=CC=CC=C3N2)C)CCCO 1 2.044 3 4 0 -9.0741649340152 16196996 C1CCC(CC1)[C@H]2C[C@H](OC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)OCC5=CC=C(C=C5)CO 1 4.244 3 4 0 -6.103764167114 16196995 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCC2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)C(F)(F)F)CCCO 1 4.019 3 4 0 -1.91391906987321 16196994 C1[C@@H](C=C(O[C@@H]1OCCCCO)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)Br 1 3.735 1 4 -4.5634147288827 16196993 C1[C@@H](C=C(O[C@@H]1OCC2=CC=C(C=C2)CO)C(=O)NCC3=NC4=CC=CC=C4N3)C5=CSC6=CC=CC=C65 1 4.433 3 4 0 -4.82668225308655 16196992 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NC2=CC=CC=C2)C3=CSC4=CC=CC=C43)CCCO 1 4.222 1 4 -3.56172631632065 16196991 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCC2=CC=CC=C2)C3=CSC4=CC=CC=C43)CCCO 1 4.229 1 4 -7.24463832539363 16196990 C#CCNC(=O)C1=C[C@@H](C[C@@H](O1)OCCCCO)C2=COC3=CC=CC=C3C2=O 1 2.113 1 6 0 -5.80203519633636 16196989 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)Br)CCCO 1 4.116 1 4 -6.00002410519909 16196988 C1[C@@H](C=C(O[C@@H]1OCCCCO)C(=O)NCC2=CC=CC=C2)C3=CSC4=CC=CC=C43 1 3.848 1 4 -5.80802894907725 16196987 C1[C@H](C=C(O[C@H]1OCCCCO)C(=O)NCC2=CC=CC=C2)C3=CSC4=CC=CC=C43 1 3.848 1 4 -5.80802894907725 16196986 C1CC1[C@H]2C[C@H](OC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)OCC5=CC=C(C=C5)CO 1 2.875 3 4 0 -5.71435866875701 16196985 C1[C@@H](C=C(O[C@@H]1OCCCCO)C(=O)NCC2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)Br 1 3.444 3 4 0 -3.70773763540374 16196984 CC(C)(C)[C@H]1C[C@H](OC(=C1)C(=O)NC2=CC=CC=C2)OCC3=CC=C(C=C3)CO 1 3.737 1 4 -4.42889054854921 16196983 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NC2CC2)C3=COC4=CC=CC=C4C3=O)CCCO 1 1.792 1 6 0 -6.96719327013402 16196982 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NC2CC2)C3=CC=C(C=C3)C(F)(F)F)CCCO 1 3.216 1 4 -2.31764736924311 16196981 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCC2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)C(F)(F)F)CCCO 1 4.019 3 4 0 -1.91391906987321 16196980 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)Br)CCCO 1 4.116 1 4 -6.00002410519909 16196979 C1CCC(CC1)[C@@H]2C[C@@H](OC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)OCC5=CC=C(C=C5)CO 1 4.244 3 4 0 -6.103764167114 16196978 COC1=CC(=C(C2=C1C(=O)CC(O2)C3=CC=CC=C3)O)OC 1 2.825 0 5 -0.147491462524464 16196977 C[C@@H]1C[C@H]2[C@@H](O2)C=CC=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1 1 2.65 0 6 -0.774644265282748 16196976 CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC=C5C4(C(CC(C5)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)C)C)C 1 1.41 0 14 0 -34.9570578273727 16196975 CC1C2C(NC(=O)C23C(C=C(CCC(C(C=CC3=O)O)O)C)C=C1C)CC(C)C 1 3.213 1 4 -5.70221245653307 16196974 CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=CC(=C(C=C3)O)O)O)C 1 4.23 0 5 1.6728341689171 16196973 CC(=O)C1=C(C=C(C=C1CC(=O)O)O)O 1 0.75 0 5 0 -2.32897013193093 16196972 CC/C=C\[C@@H]([C@@H](C1=C(C(=O)[C@@]2(O1)C([C@@](NC2=O)(C(=O)C3=CC=CC=C3)OC)O)C)O)O 1 0.914 1 8 0 -6.59951468373155 16196971 CC1=CC(=C(C=C1)C(COC(=O)C(C)C)(COC(=O)C(C)C)O)O 1 3.292 0 6 -2.56070476685997 16196970 C[C@]12CCC(=O)C(C1=C(C(=O)[C@@]3([C@@]2(CC(=C)[C@]4([C@H]3C(=O)O[C@@](C4=O)(C)C(=O)OC)C)O)C)O)(C)C 1 1.602 0 9 0 -5.23583966516743 16196969 CC1CC(=O)CC(C1(/C=C/C(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C 1 -0.596 0 8 0 -15.6692233171768 16196968 CC1=CC(=C(C(=C1)O)OC2=CC(=CC(=C2O)O)C)O 1 3.394 0 5 4.98431868428309 16196967 C[C@@H]1[C@H](C=C(C(=O)O1)C[C@H](C)O)O 1 0.309 0 4 0 -2.46150838175001 16196966 CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)OC8C(C(C(CO8)OC(=O)C)OC(=O)C)O)O 1 2.783 0 18 0 -13.9541361690784 16196965 C/C=C\1/C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC3C(C(CC3C(CO)CO)OC(=O)CC\4C(=COC(/C4=C\C)OC5C(C(C(C(O5)CO)O)O)O)C(=O)OC)C 1 -2.754 0 24 0 -22.0001625987221 16196963 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CN2C=CSC2=N.Cl Cl- 1 0.445 4 2 0 -17.0865527137172 16196962 CN1CCC2=C([C@H]1C3=CN=CC=C3)C4=C(N2C)CCN([C@@H]4C5=CN=CC=C5)C.Cl Cl- 1 2.359 5 0 -2.14194919763454 16196960 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-].Cl Cl- 1 1.402 3 3 0 -9.37513075865111 16196958 C1=CC=[N+](C=C1)/C(=C(\C2=CC=C(C=C2)[N+](=O)[O-])/[O-])/C(=S)NC3=CC=CC=C3F 1 4.198 3 3 -4.98118001831077 16196957 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2C=CSC2=N)Cl.Cl Cl- 1 0.474 4 3 0 -17.5270182415635 16196953 C1CSC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4.Cl Cl- 1 3.085 4 1 -14.0805393878505 16196952 CC(C)[C@@H](C(=O)NC1=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)OC 1 3.042 4 3 0 -14.5616957671061 16196950 CC1=CC2=NC(=CN2C=C1)C3=CC4=C(C=C3)OCC(=O)N4.Cl Cl- 1 1.793 3 2 0 0.403383320030727 16196948 C1COCCN1CCNC(=S)NN/C=C/2\C=CC(=O)C=C2O 1 -0.157 4 3 0 -9.84997791737903 16196945 CCN(CC)CCN1C(=O)CN2C(=C(C3=C2C1=CC=C3)C)C.Cl Cl- 1 2.809 3 1 -0.397449393621772 16196943 CCO.CN1CCC2(CC1)C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C.O H2O CCO 1 -0.37 6 0 0 2.99082024240234 16196942 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN/C(=C\3/C=NC4=CC=CC=C43)/O2 1 1.33 4 4 0 -22.9410616035263 16196938 C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)CN2C=CSC2=N.Cl Cl- 1 1.252 4 3 0 -13.0952291809118 16196936 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CN2C=CSC2=N.Cl Cl- 1 1.56 4 3 0 -13.8961666835193 16196935 CN(C)C1=CC=C(C=C1)C2CNC(C3=C2C4=CC=CC=C4N3)C5=CC(=C(C=C5)Cl)[N+](=O)[O-].Cl Cl- 1 5.605 4 2 -10.8784286621846 16196934 C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCCN3C=CN=C3)[N+](=O)[O-].Cl Cl- 1 2.272 5 3 0 -8.4477937571339 16196928 C1=CC=C(C(=C1)N)SC2=NC3=CC=CC=C3N2.Cl Cl- 1 3.259 3 0 -0.657194403398741 16196927 CCC1=NNC(=S)N1N/C=C/2\C=NC3=C2C=C(C=C3)Br 1 2.498 5 0 -3.25065983813722 16196924 COC1=CC=C(C=C1)C(=O)CN2C3=[N+](CCCCC3)C(=N2)CNC4=CC=C(C=C4)Br.[Br-] Br- 1 4.793 4 2 -5.52960769110376 16196923 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NCCN3C(=O)/C(=C\C4=CN=CC=C4)/SC3=O 1 1.132 4 4 0 -19.2567089254664 16196922 CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CC[NH+](CC2)CCO)C(=O)OC.[Cl-] Cl- 1 -0.921 2 7 0 -13.6950091547626 16196921 CC(C(=O)NCC(=O)NC1=C(C(=C(C=C1)F)F)F)SC2=NN=CS2 1 1.642 4 2 0 -15.6777364759745 16196920 CC1=CC=C(C=C1)C2=CCNCC2.Cl Cl- 1 2.356 1 0 -3.05293798113975 16196919 CC(C)NC1=NN=C(S1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.345 4 3 0 -17.6843286862994 16196918 CC1CCC2(CC1)C(=O)N(C(=O)N2)N/C=C\3/C=C(C(=O)C(=C3)Br)OC 1 1.334 3 4 0 0.432540528973531 16196917 CN(CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)Cl)C3CCCCC3.Cl Cl- 1 4.914 2 2 -1.68078467854164 16196916 CN(CC1=CC=CC=C1NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4CCCCC4.Cl Cl- 1 5.157 2 2 -2.70820120276762 16196915 C1CN(CC[NH+]1CCO)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl.[Cl-] Cl- 1 0.216 2 3 0 -5.57594249552802 16196914 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCN3CCOCC3.Cl Cl- 1 1.604 3 5 0 -18.8608095033011 16196913 CC1=CC(=C(C=C1)OC)NC(=O)C(C(C)C)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.422 2 6 0 -22.9882257645331 16196911 C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-] 1 2.237 3 6 0 -16.4442169427387 16196910 C/C(=C(/C#N)\C(=O)COC1=C(C=C(C=C1)Cl)Cl)/N 1 2.264 2 2 -6.87956838899948 16196909 COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=CS3)C4=CC=CS4)OC 1 3.204 4 3 0 -16.6158406623586 16196908 C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)OCC(=O)NC3=CC=C(C=C3)OC(F)F 1 2.897 2 6 0 -13.0486647039116 16196907 CN1CCCN(CC1)C(=O)CC2(CCCC2)CC(=O)O.Cl Cl- 1 -2.136 2 3 0 -3.94485464269881 16196905 CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN=CS3 1 1.734 3 3 0 -13.6702164523001 16196904 C/C(=C(/C#N)\C(=O)CSC1=CC=CC=C1F)/N 1 1.699 2 1 0 -10.8412141575281 16196903 C1CN(CCN1)CC2=CC=C(C=C2)C(F)(F)F.Cl Cl- 1 2.267 2 0 2.48690140656004 16196902 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)[N+]23CCN(CC2)CC3.[Cl-] Cl- 1 -0.536 4 3 0 -15.4165900215531 16196901 CC(C)(CNS(=O)(=O)C1=CC=C(C=C1)OC(F)(F)F)CN(C)C.Cl Cl- 1 3.913 2 3 -2.09945045228706 16196899 CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)/C(=C(\C)/N)/C#N 1 2.948 4 1 -16.3434580679249 16196898 CCNC(=O)NC(=O)C(C)SC1=C(C=C(C=N1)C(F)(F)F)Cl 1 3.039 3 2 -5.7041999756209 16196896 COC1=CC(=C/C(=C\2/NC3=CC=CC=C3S2)/CC(=O)O)C=C(C1=O)OC 1 2.537 1 5 -1.24560583045998 16196895 CN1CCCN(CC1)S(=O)(=O)C2=C(C(=CC=C2)Cl)Cl.Cl Cl- 1 2.295 2 2 -10.1467414050192 16196894 CC1=CC(=C(C(=C1C)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3)C)C.Cl Cl- 1 4.38 2 2 -2.36682048187765 16196893 CC1=CSC(=N1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3 1 1.915 3 3 0 -15.3317202171686 16196892 CCN1CCCC1CNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F.Cl Cl- 1 2.66 2 2 -6.90707922689132 16196891 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=C(C=C3)F)Cl 1 2.761 2 4 -13.5183649684246 16196890 COC1=CC=C(C=C1)C2=NC(=CS2)CCl.Cl Cl- 1 3.009 1 1 4.05280509449227 16196889 CCCCNC1=NN=C(CS1)C2=CC(=CC=C2)[N+](=O)[O-].Cl Cl- 1 3.37 4 2 -5.49418769180217 16196888 C1CN(CCC1NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4.Cl Cl- 1 3.343 2 2 -1.97749615892781 16196887 CC1=C(C=C(C=C1)NC(=S)/C(=C(/C2=CC(=C(C=C2)OC)OC)\[O-])/N3C=[N+](C4=CC=CC=C43)C)C 1 6.36 3 3 -2.42477698780826 16196886 CC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C2CCN(CC2)C.Cl Cl- 1 0.797 2 3 0 -4.88505008427992 16196885 CC1=CC(=CC(=C1CN2C3=[N+](CCCCC3)C4=C2C=C(C=C4)C(F)(F)F)C)C(C)(C)C.[Cl-] Cl- 1 8.315 2 0 5.0946257359035 16196883 COC1=CC=C(C=C1)CC(=O)NC2=CN=C(C=C2)OC 1 2.005 2 3 -7.5463108168885 16196882 COC1=CC=CC(=C1OC)C2=NC(=CS2)CCl.Cl Cl- 1 2.993 1 2 2.47689286319595 16196881 CC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H](C)N2C(=O)C3CC=CCC3C2=O)S(=O)(=O)N(C)C 1 0.865 3 7 0 -18.5177947903074 16196879 CCC[N+]1=CN(C2=CC=CC=C21)/C(=C(\C3=CC(=C(C=C3)OC)OC)/[O-])/C(=S)NC4=C(C(=CC=C4)Cl)C 1 7.411 3 3 1.2687278877906 16196878 C1CCC2=[N+](CC1)C3=C(N2CC4=CC=CC=C4F)C=C(C=C3)C(F)(F)F.[Cl-] Cl- 1 6.148 2 0 0.545689264826212 16196877 CN1CCCC(C1)OC(=O)/C(=C/C2=CC=CC=C2)/C#N.Cl Cl- 1 2.62 2 2 -6.51215805690695 16196876 CCO.CCSC1=NC2=CC=CC=C2C(=O)N1C3=C(N(N(C3=O)C4=CC=CC=C4)C)C CCO 1 3.254 4 2 -20.6336709432845 16196875 CCN(CC)CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC.Cl Cl- 1 1.781 2 4 0 -11.5014725968449 16196874 CC1=C(C=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC=C2)C)S(=O)(=O)N(C)C 1 3.091 3 4 0 -25.3124866734039 16196873 CCOC1=CC=C(C=C1)S(=O)(=O)NN2CC3=CC=CC=C3C2=N.Br Br- 1 1.92 3 3 0 -6.46365201709495 16196872 CCN(CC)CCCC(C)NC(=O)C1=CC(=O)C2=CC=CC=C2O1.Cl Cl- 1 2.682 2 3 -12.8453096627513 16196871 CN1CCCN(CC1)C(=O)C2CCC(CC2)C(=O)N3CCCN(CC3)C.Cl Cl- 1 0.714 4 2 0 -6.45881283741723 16196870 C1COCCN1CCNC(=O)/C(=C/C2=CC=CC=C2)/C#N.Cl Cl- 1 1.171 3 2 0 -15.0389452001469 16196869 CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3.Cl Cl- 1 2.704 3 3 -16.7296842585818 16196868 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 1.978 3 6 0 -22.5473224442755 16196867 CC(CC1=CC=CC=C1)NCC2=CC=CC=C2O.Cl Cl- 1 3.407 1 1 7.15391418806382 16196866 CC1=CSC(=[N+]1CC=C)NC2=CC(=CC=C2)Br.[Br-] Br- 1 3.684 2 0 -2.64737455246223 16196865 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3 1 1.918 3 6 0 -21.3414509069983 16196864 C1=CC=C2C(=C1)C(=O)C=NN2.Cl Cl- 1 1.397 2 1 0 -5.17452782157547 16196862 C1[C@H](N(CC1O)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CC=C3 1 1.31 2 8 0 -18.1109219117094 16196861 C1CCCC(CC1)NC(=O)COC(=O)[C@@H]2CC(CN2S(=O)(=O)C3=CC=C(C=C3)Cl)O 1 2.198 2 6 0 -14.7423793187832 16196857 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC[NH+]2CCOCC2.[Cl-] Cl- 1 -0.789 2 5 0 -11.9984095793973 16196856 CC(C(=O)NCCC1=CC=C(C=C1)F)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.515 3 4 0 -17.4915744234447 16196855 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 2.1 4 3 0 -10.8428566816103 16196854 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=CC=C3F 1 2.484 3 4 0 -18.6173492532047 16196853 CC1=CSC(=NCC=C)N1N/C=C\2/C=CC(=O)C(=C2)O 1 0.824 3 2 0 -8.06191997442427 16196852 CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C4CCN(CC4C5=C3C=CC(=C5)C)C)C.Cl Cl- 1 3.741 3 3 -16.4109934276943 16196850 CC1=C(/C(=C\2/C=CC(=CC2=O)OC)/ON1)C3=CC4=C(C=C3)OCCO4 1 1.404 1 5 0 -5.8202991433433 16196849 CN1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl.Cl Cl- 1 2.295 2 2 -11.8274739549642 16196848 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN/C(=C/2\C=CC(=O)C=C2O)/C 1 0.797 3 5 0 -17.0453152878233 16196846 CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)N(C)CC3=NC(=O)C4=CC=CC=C4N3 1 3.474 4 2 -4.65081532878621 16196845 CN1CCN(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3.Cl Cl- 1 1.199 4 3 0 -18.0007686671256 16196844 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=C(C=C3)F 1 2.484 3 4 0 -16.4676268357431 16196843 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4.Cl Cl- 1 3.812 3 3 -3.45393204989751 16196842 COC1=CC=C(C=C1)S(=O)(=O)N2CC(C[C@H]2C(=O)OCC(=O)N3CCCCCC3)O 1 0.782 2 7 0 -15.5652136036533 16196841 CC(C)N(C(C)C)C(=O)COC(=O)[C@@H]1CC(CN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)O 1 2.278 2 6 0 -11.9389677413506 16196839 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C=CSC3=N.Cl Cl- 1 1.183 4 3 0 -25.729858314881 16196838 C1CSC(=N1)SCC2=CC=CC=C2C(=O)O.Br Br- 1 3.073 1 2 -12.0406981798106 16196837 C[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=C(C=C3)O)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 6.33 1 1 9.59302725771277 16196836 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3 1 2.438 3 6 0 -28.0794473810145 16196835 CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N(C)C 1 1.832 4 6 0 -19.4088153023653 16196834 CC(C)(C)C1=C/C(=N\NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)/C(=O)C(=C1)Br 1 3.165 3 4 0 -14.7622423897152 16196833 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC(C[C@H]3C(=O)OCC(=O)NCC4=CC=C(C=C4)F)O 1 0.794 2 8 0 -19.7736759738732 16196832 CN1CCN(CC1)NC(=O)C2=CC=CS2.Cl Cl- 1 0.662 3 1 0 -4.82466856940743 16196831 CCN(CC)CCCC(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C32.Cl Cl- 1 3.662 3 3 -27.9437064769003 16196829 CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3.Cl Cl- 1 4.461 3 5 0 -20.5976981084074 16196827 CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)OC 1 2.434 3 6 0 -27.7210859241413 16196826 C1CC(=NC1)NC2=NC(=CS2)C3=CC=C(C=C3)F.Br Br- 1 2.615 3 0 3.49151777348441 16196824 CC1=C(C=C(C=C1)/C(=C(/C(=S)NCC2=CC=CC=C2)\[N+]3=CC=CC=C3)/[O-])[N+](=O)[O-] 1 4.208 3 3 -7.92676231144745 16196823 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=[N+](C=C3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NC5=CC=CC(=C5)C(F)(F)F.[Br-] Br- 1 6.445 4 4 0 -5.63483877158592 16196822 CN1CCN(CC1)N=CC2=C3C=CC=CC3=C(C4=CC=CC=C42)Cl.Cl Cl- 1 4.002 3 0 4.61176799129242 16196820 C1=CC(=C[N+](=C1)/C(=C(\C2=CC=C(S2)Cl)/[O-])/C(=S)NC3=CC=C(C=C3)SC(F)F)CO 1 5.27 2 2 -3.43546693378097e-002 16196819 CC1=C2C(=NC3=CC=CC=C13)CC(CC2=O)(C)C.Cl Cl- 1 3.488 1 1 -5.38718027839812 16196818 CC1=C[N+](=CC=C1)/C(=C(\C2=CC=C(S2)Cl)/[O-])/C(=S)NC3=CC(=CC(=C3)C)C 1 5.969 2 1 0.770661005433455 16196817 CC1=CC=C(C=C1)NN/C=C\2/C=C(C(=O)C(=C2)Br)OC.Cl Cl- 1 2.399 2 2 5.8345612877796 16196814 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=C(C=C3)C(=O)NN4CCN(CC4)C)C)C.Cl Cl- 1 1.867 4 3 0 -19.6003051931657 16196813 C/C(=C(/C#N)\C(=O)COC(=O)CNS(=O)(=O)C1=C(C(=C(C=C1)F)F)F)/N 1 0.186 3 5 0 -16.5510600038668 16196812 CN1CCN(CC1)C(=O)CC2(CCCC2)CC(=O)O.Cl Cl- 1 -2.198 2 3 0 -3.37628928114975 16196811 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C.Cl Cl- 1 2.847 4 3 0 -20.3417900004191 16196810 C1COCCN1C2=NC(=C(S2)C=NNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5.Br Br- 1 1.953 5 5 0 -16.212515846901 16196809 CN1CCN(CC1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=C(C=C3)Cl.Cl Cl- 1 2.525 4 3 0 -5.01819635664945 16196807 COC(=O)C[N+]1=CC=CC2=CC=CC=C21.[Cl-] Cl- 1 2.341 1 2 -3.47524165787677 16196805 CC[N+](CC)(CC)CC(=O)NC1=CC=C(C=C1)SC(F)F.[Cl-] Cl- 1 2.011 2 1 -5.41962301786054 16196804 CC1CCC(C(C1)OCC(CNC(C)C2=CC=CC=C2)O)C(C)C.Cl Cl- 1 4.241 1 2 1.53031369819061 16196803 C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)N4CCCCC4 1 3.386 3 3 -22.3518197094398 16196800 CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NN/C=C\3/C=CC(=O)C(=C3)O 1 3.436 2 4 -0.588396292522778 16196799 CC1=C(C(=NC2=CC=CC=C12)C)C(=O)C3=CC=C(C=C3)F.Cl Cl- 1 4.394 1 1 1.63701419439772 16196798 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN/C=C\3/C=CC(=O)C(=C3)O 1 0.503 3 5 0 -17.9156063433652 16196797 CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)N3CCN(CC3)C4=CC=CC=C4OC.Cl Cl- 1 3.364 3 4 0 -12.5221262538084 16196796 CCNC(=O)NC(=O)C(C)OC1=C(C=C(C=C1)Br)Br 1 2.983 2 3 -7.63054948702962 16196795 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)N/C=C/3\C4=CC=CC=C4C(=O)N(C3=O)CC5=CC=CC=C5 1 3.857 4 4 0 -12.7530654339403 16196793 COC1=C/C(=C\NNC2=C3C=CC=CC3=NC2=O)/C(=O)C=C1 1 -6.1e-002 3 3 0 -3.83053859767832 16196792 CC1=CSC(=N1)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2F 1 2.487 3 2 -17.1076506523785 16196791 COC1=C/C(=C\NNC(=S)NC2=CN=CC=C2)/C(=O)C=C1 1 0.946 4 2 0 -5.42978952038526 16196790 CC(C)(CN(C)C1CCN(CC1)C)NS(=O)(=O)C2=CC=CC=C2.Cl Cl- 1 1.573 3 2 0 -4.71343188452988 16196788 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCCO.[Br-] Br- 1 3.98 2 4 -7.09882577751277 16196787 CC(C)C(C(=O)NC1=CC=CC(=C1)C(=O)C)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.692 2 6 0 -24.2195358084783 16196786 COC1=CC=CC(=C1)/C=C(/C2=NC3=CC=CC=C3N2)\C(=O)N4CCOCC4 1 2.783 3 3 -4.28180047753579 16196785 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C=CSC3=N.Cl Cl- 1 0.935 4 3 0 -24.4031579467388 16196784 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCC3=CC4=C(C=C3)OCO4 1 0.98 4 4 0 -16.3273560369894 16196783 CC(C)NC(=S)NN=C(C)/C=C/C1=CC=CC=C1 1 3.396 3 0 -8.83530176326636 16196781 C1=CC=[N+](C=C1)N/C=C/2\C=CC=CC2=O.[I-] I- 1 1.403 2 1 0 -2.76595926136069 16196780 CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N 1 1.9 3 6 0 -26.0573222051265 16196779 COC1=C/C(=C\NNC(=O)C2=CC(=O)NC3=CC=CC=C32)/C(=O)C=C1 1 7.7e-002 3 4 0 -9.38749645999351 16196778 C[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C4CC=CCC4C3=O 1 2.18 3 3 -6.0227432573539 16196776 CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SC(C)C(=O)N 1 2.79 3 2 -19.9094450634518 16196775 COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl Cl- 1 0.678 2 5 0 -22.2746534050403 16196774 COC1=CC(=C(C=C1)NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC=C3F)OC 1 2.059 2 7 0 -19.329513166435 16196772 C1CCC(C1)(CC(=O)N2CCN(CC2)CCO)CC(=O)O.Cl Cl- 1 -2.737 2 4 0 -2.84116521238378 16196771 CN(C)C1=C(C=C(C=C1)Cl)N.Cl Cl- 1 1.909 2 0 0 1.1647991036659 16196770 CCOC1=CC=C(C=C1)C2=NCC(S2)CBr.Br Br- 1 3.493 1 1 0.622467754489795 16196769 CN(CC1=CC(=CC=C1)OC)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F 1 3.344 3 2 3.18986993735636 16196768 C1CCC2=N/C(=C/C3=CC(=C(C=C3)O)O)/C(=O)N2CC1 1 1.891 2 3 0 -4.00977112590721 16196767 C1=C/C(=C\NNC(=O)CN2C=C(C=CC2=O)C(F)(F)F)/C(=O)C=C1 1 -0.187 3 3 0 -7.78187511977664 16196766 C1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=CO3)NC4=CC=CC=C4.[Br-] Br- 1 4.749 2 1 0.543528375789703 16196762 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC(C)(C)CN(C)C.Cl Cl- 1 3.504 2 3 4.02053873296618 16196761 CCOC1=CC=C(C=C1)C2=NC(=CS2)CCl.Cl Cl- 1 3.358 1 1 3.28658194278424 16196760 CN(C)C1=CC=[N+](C=C1)/C(=C(\C2=CC=CC=C2)/[O-])/C(=S)NC3=CC=C(C=C3)SC(F)F 1 5.624 3 1 -4.79346548807995 16196759 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCN3C=CN=C3.Cl Cl- 1 -0.354 4 4 0 -21.9842949802069 16196758 CC1(CC(=O)CC2(C1)C3=C(C(CN2)C4=CC=CC=C4)C5=CC=CC=C5N3)C.Cl Cl- 1 4.263 2 1 -4.50143960680548 16196757 CC1=CC=C(C=C1)S(=O)(=O)NN2CC3=CC=CC=C3C2=N.Br Br- 1 2.074 3 2 -5.28446265624279 16196756 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)N3CC4=CC=CC=C4C3=N)N5CCOCC5.Br Br- 1 2.949 4 4 0 -9.99481348080229 16196755 CC1=CC(=NO1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC 1 1.66 3 5 0 -26.2818423455401 16196754 CC1=NN(C(=C1)N)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-].C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 0.316 5 4 0 -9.0919337139849 16196753 C1COCCN1CCNS(=O)(=O)C2=CC=CS2.Cl Cl- 1 0.354 2 3 0 -9.76956641714624 16196752 COC1=C(C=C(C=C1)COCC(CN2CCC3=CC=CC=C3C2)O)OC.Cl Cl- 1 2.887 1 4 -12.7000236849617 16196751 CC1=CC=C(C=C1)NC(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O 1 2.38 3 3 -5.90749118824168 16196750 CC(C(=O)NC(=O)N)SC1=CC2=CC=CC=C2C=C1 1 2.398 2 2 -2.56012727418377 16196749 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NCC3CCCO3 1 -6.5e-002 3 4 0 -16.1359828459713 16196748 CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)CCl.Cl Cl- 1 2.03 2 1 -7.13872653330981 16196747 CC1(C(=O)N(C(=O)N1)CC#N)C2=CC=CC=C2 1 0.806 3 2 0 -4.88054458005903 16196746 C[C@@H](C(=O)OCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)N2C(=O)C3CCCCC3C2=O 1 0.74 3 7 0 -21.7814731309787 16196744 CC(C)(CNS(=O)(=O)C1=CC2=C(C=C1)OCCO2)N3CCOCC3.Cl Cl- 1 0.935 2 5 0 -12.0335949310183 16196742 CCN1CCN(CC1)C(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C.Cl Cl- 1 4.326 3 3 8.67748781883455e-002 16196741 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC(C)(C)N2CCOCC2.Cl Cl- 1 1.354 2 5 0 -13.8395412592332 16196739 CC1=CC(=C(O1)C)C(=O)NN=C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.332 3 4 0 -3.62889375167619 16196738 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)Cl.Cl Cl- 1 3.321 3 3 -12.5437416619468 16196737 CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3 1 3.611 4 4 0 -26.1251877793903 16196736 CC1=C(C=C(C=C1)NC(=O)CN2C=CSC2=N)S(=O)(=O)N(C)C.Cl Cl- 1 0.296 4 3 0 -19.4685688657745 16196735 C1COCCN1C(CNC(=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)F 1 3.43 2 2 -13.0329669535376 16196733 CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 2.122 3 7 0 -34.2368466656998 16196731 C1COCCN1CCNS(=O)(=O)C2=CC=C(S2)Cl.Cl Cl- 1 0.813 2 3 0 -4.05214329022944 16196730 C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4.Cl Cl- 1 2.16 3 3 -11.9075478307323 16196729 CCN1CCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl.Cl Cl- 1 2.702 3 3 -7.12715514898933 16196728 CN(CC1=CC(=CC=C1)Cl)CC(=O)NCCC2=CC=C(C=C2)F 1 3.738 2 1 -3.69889411863921 16196727 CCO.CC1=C2C(C3=C(CCCC3=O)N=C2NN1)C4=CC=CS4 CCO 1 1.189 3 1 0 -16.766716604645 16196726 C1CN=C(N1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-].Cl Cl- 1 1.185 4 3 0 -15.1657727038938 16196725 CCOC1=CC=CC=C1NC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 2.138 3 6 0 -38.2459555137135 16196722 C1CN(CCC1NC2=NN=C(CS2)C3=CC4=C(C=C3)OCCO4)CC5=CC=CC=C5.Br Br- 1 3.627 4 2 -0.593906410892657 16196721 CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NNC(=N2)N 1 1.621 6 1 0 -3.12028755454114 16196720 CCC1=NN(C(=N)S1)CC(=O)NC2=C(C=CC(=C2)C)C.Cl 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CC(C)CC(C1=CN(N=N1)[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCN(CC3)C4=NC(=NC(=N4)NCCOCCOCCOCC#C)N5CCN(CC5)C(=O)[C@H](CCC(=O)O)N6C=C(N=N6)C(CO)N)N.Cl Cl- 1 -1.981 16 9 0 -16.1129939653148 16196424 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCOCC3)N4C=C(N=N4)[C@H](CO)N.Cl Cl- 1 3.2e-002 11 6 0 -18.6684174451774 16196423 CN=C1N(C(=CS1)C2=CC=C(C=C2)F)N/C=C\3/C=CC(=O)C(=C3)O 1 1.647 3 2 0 -0.857213647526448 16196422 CC1=CC(=C(C(=C1C)S(=O)(=O)N[C@@H](C)C(=O)OC(C)C(=O)NC(=O)N)C)C 1 1.995 3 6 0 -14.3016461448138 16196421 C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NCC2=CC=C(C=C2)CNC(=O)OC(C)(C)C 1 2.261 5 6 0 -20.4603078491659 16196420 CNC(=O)C1=C(N=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 1 2.183 4 4 0 -16.1344655040523 16196419 C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4 1 4.145 4 4 0 -16.128442865836 16196418 CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC3=CC=CC=C3 1 3.443 4 4 0 -20.8773541230952 16196417 C[C@H](C1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4 1 4.145 4 4 0 -16.128442865836 16196416 C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)C3=C(NC=N3)C(=O)NCC4=CC=CC=C4 1 3.767 4 4 0 -17.6064214760167 16196415 C[C@H](C1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CC(C)C)C(=O)OCC3=CC=CC=C3 1 3.82 4 4 0 -19.259443891846 16196414 CN(CC1=CC=CC=C1)C(=O)C2=C(N=CN2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4 1 3.973 4 4 0 -14.7256623710506 16196413 C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)N3C(=O)C4CC=CCC4C3=O 1 0.36 3 6 0 -26.5926626306649 16196412 C[C@H](C1=CC=CC=C1)NC(=O)C2=C(N=CN2)C(=O)N[C@@H](C)C(=O)OC(C)(C)C 1 1.936 4 4 0 -17.7754331117346 16196411 CCN(CC)C(=O)C1=C(N=CN1)C(=O)N[C@@H](C)C(=O)OCC2=CC=CC=C2 1 1.531 4 4 0 -17.4404232811589 16196410 CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N(C)CC3=CC=CC=C3 1 3.649 4 4 0 -17.9965950181291 16196409 CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCCCCCNC(=O)OC(C)(C)C 1 3.725 5 6 0 -26.0059344470832 16196408 CCN(CC)C(=O)C1=C(N=CN1)C(=O)N[C@@H](CC(C)C)C(=O)OCC2=CC=CC=C2 1 2.763 4 4 0 -20.6330404003849 16196407 C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NCCCCCNC(=O)OC(C)(C)C 1 1.841 5 6 0 -22.1499345196893 16196406 CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NC2CCN(CC2)C(=O)OC(C)(C)C 1 2.152 5 6 0 -22.9511982080095 16196405 CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NC 1 1.492 5 6 0 -27.9493788352359 16196404 C[C@H](C1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1 3.453 5 6 0 -27.5748908179534 16196403 CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C 1 2.204 5 6 0 -22.0028747804445 16196402 CCN(CC)C(=O)C1=C(N=CN1)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C 1 2.111 4 4 0 -23.0814630579612 16196401 CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NCC2=CC=CC=C2 1 2.791 4 4 0 -22.8221388481087 16196400 CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NC3CCN(CC3)C(=O)OC(C)(C)C 1 2.476 5 6 0 -19.1766276283681 16196399 C[C@H](C1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC(C)(C)C 1 3.492 4 4 0 -18.0732275908496 16196398 C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC(C)(C)C 1 3.492 4 4 0 -18.0732275908496 16196397 CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NC 1 1.531 4 4 0 -18.0792502290658 16196396 CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C 1 2.489 6 8 0 -28.0984328069733 16196395 CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.688 5 6 0 -29.5215680514351 16196394 CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4 1 5.055 4 4 0 -21.3460527463963 16196393 CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C2=C(N=CN2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4 1 3.128 5 6 0 -19.9722974297035 16196392 CCN=C1N(C(=CS1)C)N/C=C/2\C=C(C(=O)C(=C2)Br)OC 1 1.234 3 2 0 -2.57500186539954 16196391 CC(C)(CNS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl)C[NH+](C)C.[Cl-] Cl- 1 1.562 2 2 0 -5.23497872553385 16196390 CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC3=CC=CC=C3F 1 2.851 3 4 0 -20.8169270713053 16196389 COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4)S(=O)(=O)N5CCOCC5 1 3.248 4 4 0 -5.99830949813171 16196388 CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NC 1 1.859 4 4 0 -19.4053981511308 16196387 CC1=C(C=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)N)S(=O)(=O)NC2=CC=C(C=C2)OC 1 2.084 4 5 0 -17.505882514516 16196386 CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)/C(=C(\C)/N)/C#N 1 3.428 4 2 -19.7543060126566 16196385 CCCCNCC1=NC(=O)C2=CC=CC=C2N1.Cl Cl- 1 1.628 3 1 0 -6.33445255014696 16196384 CNCC(=O)NC1=CC=C(C=C1)OC(F)(F)F.Cl Cl- 1 2.54 2 2 -2.60710865700999 16196383 CC(C)[C@@H](C(=O)OCC(=O)NC(=O)C1=CC=CN1C)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.138 3 7 0 -23.537168833372 16196382 CC1(CC(=CC(=[N+]2CCCCC2)C1)N(C)CC3=CC=CC=C3)C.[I-] I- 1 4.248 2 0 -1.37844359127307 16196381 CC1=CC(=C2C(=C1)C=CC=N2)C[N+]3=C(SC=N3)N.[Br-] Br- 1 2.065 4 0 1.73526289732066 16196380 CN(C)CC1CCCCC1OC(=O)/C=C/C2=CC=C(C=C2)OC.Cl Cl- 1 3.772 1 3 -1.39875493574398 16196379 C1=CC=C(C=C1)C2=N[N+](=C(S2)N)CC3=CC=CC4=C3N=CC=C4.[Br-] Br- 1 3.503 4 0 3.99943046887872 16196378 C1=CC=C(C(=C1)C(=O)NN/C=C\2/C=CC=N2)OCC3=CC=C(C=C3)F 1 2.15 3 2 -5.14433320476955 16196377 C1=CC2=C(C(=C1)C[N+]3=C(SC=N3)N)N=CC=C2.[Br-] Br- 1 1.578 4 0 0 -0.410440584421298 16196376 CN(C)CC1CCCCC1OC(=O)/C=C/C2=CC=CC=C2.Cl Cl- 1 3.788 1 2 -1.22877549231924 16196374 CN(C)CCOC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O.Cl Cl- 1 2.5 1 5 -3.11665691691132 16196373 CCC1=C[N+]\2=C(C=C1)N(C(=S)/C2=C(\NC3=CC(=CC(=C3)C)C)/[O-])C4=CC=C(C=C4)OC 1 5.919 3 2 -2.51733414875863 16196372 C1CN(CCN1CCO)C(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)NC3=CC=CC=C3F.Cl Cl- 1 2.683 3 4 0 -2.02009871899617 16196371 C1COCCN1CCCNC(=O)COC2=CC=CC=C2CC3=CC=CC=C3.Cl Cl- 1 2.736 2 3 -11.5355934056768 16196370 CC1=CC=C(C=C1)N2C3=CC=CC=[N+]3/C(=C(/NCCC4=CC=C(C=C4)OC)\[O-])/C2=S 1 5.178 3 2 -4.81305586155579 16196368 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)C4=C(N=CC=C4)Cl.Cl Cl- 1 2.791 3 1 1.07835933174473 16196367 CC1(CC(=CC(=[N+]2CCCCC2)C1)N3CCN(CC3)CC4=CC=CC=C4)C.[I-] I- 1 4.206 3 0 0.835296026505065 16196366 CC1C[N+](=C2CC(CC(=C2)N3CCOCC3)(C)C)CC(O1)C.[I-] I- 1 1.878 2 2 0 -7.6236311764604 16196365 COC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N2C4=CC=CC=N4)C5=CC=CC=N5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 5.827 4 1 1.98626812274344 16196364 CCOC(=O)C1=NC2=CC=CC=C2C(=C1C)C.Cl Cl- 1 3.621 1 2 -2.62157354456655 16196363 CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)NC3=CC=C(C=C3)SC(F)F.[Cl-] Cl- 1 3.992 4 1 -2.45021971312923 16196362 CN(C)C1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)OC(F)F.[Br-] Br- 1 3.658 2 2 -1.02056389676446 16196361 C=CCN1C(=O)C(SC1=NC2=CC=C(C=C2)N=NC3=CC=CC=C3)CC(=O)O.N NH3 1 4.939 4 3 0 -10.0844311081767 16196360 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 1.871 2 6 0 -11.6719578020016 16196359 C1COCCN1CCCNC(=O)/C=C/C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5.Cl Cl- 1 3.353 4 4 0 0.72134561577922 16196358 CCOC(=O)C1CCN(CC1)CC(COCC2=CC3=C(C=C2)OCO3)O.Cl Cl- 1 1.706 1 6 0 -10.1204825327304 16196357 CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)CCl.Cl Cl- 1 1.599 3 2 0 -13.0360353819041 16196356 CCN(CC)C1=CC=C(C=C1)/C=C/C(=O)C2C(=O)C=C(OC2=O)C 1 2.978 1 4 -7.21820186479377 16196355 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NN=C(N)N.[N+](=O)(O)[O-] NO3 1 2.99 6 0 11.7619328372139 16196354 CC1=CSC(=N1)NC(=O)CC(C2=CC=CC=C2)NC(=O)C 1 1.15 3 2 0 -12.2742922226234 16196352 CN1CCN(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3.Cl Cl- 1 1.199 4 3 0 -18.4332811143897 16196351 CCOC(=O)C1=C(C2=CC=CC=C2N=C1CCl)C.Cl Cl- 1 3.521 1 2 2.8676141216285e-002 16196347 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4 1 1.218 3 6 0 -29.7432720702102 16196346 CCNCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl.Cl Cl- 1 1.312 3 1 0 -2.04908205270556 16196345 CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCNCC2)C)C.Cl Cl- 1 2.799 2 2 -11.2114879878326 16196342 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.783 3 6 0 -30.6786639636032 16196341 CCN(CC1=CC(=O)N2C=CSC2=N1)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 0.956 4 4 0 -20.4463922557715 16196340 CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CCl.Cl Cl- 1 6.e-002 3 2 0 -13.8178911529601 16196339 C1CCN(CC1)C(CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CO4 1 4.524 2 2 -17.3585675180397 16196338 CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N(C)CC3=C(C=CC(=C3)Br)OC 1 3.391 2 3 -12.0769402671052 16196337 CN1CCN(CC1)C2=NC(=CS2)C3=CC=CS3.Br Br- 1 2.227 3 0 4.38869094099048 16196336 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)C[N+]34CCN(CC3)CC4.[Cl-] Cl- 1 1.147 3 2 0 -5.75033839665632 16196334 C1COCCN1CCNC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)NC3=CC=CC=C3F.Cl Cl- 1 2.886 3 4 0 -8.82248102481297 16196333 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)N\3CCN/C3=C/4\CC/C(=C\C5=CC=CC=C5)/C4=O 1 3.916 3 3 -5.33862785603621 16196332 C=CCOC1=CC=CC=C1CNC2=CC3=C(C=C2)OCCO3.Cl Cl- 1 3.608 1 3 -9.82158392223696 16196331 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN/C(=C\3/C=NC4=CC=CC=C43)/O2 1 1.679 4 4 0 -23.2040761842998 16196330 CN1C2=CC=CC=C2N(C1=C3C(=O)C[N+](=C3N)CC4=CC=CC=C4)C.[Cl-] Cl- 1 2.907 4 1 -1.60313416220932 16196328 CC1(CC(=CC(=[N+]2CCCC2)C1)N(C)CC3=CC=CC=C3)C.[I-] I- 1 3.792 2 0 -1.02397507710499 16196326 CC1=C(SC=[N+]1CC#N)CCOC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-].[Cl-] Cl- 1 3.013 4 5 0 -9.2720831172669 16196325 C1CCC(=NCC1)NN/C=C/2\C=NC3=CC=CC=C32.Cl Cl- 1 1.447 4 0 0 -2.78829055248935 16196324 C1COCCN1C2=CC=C(C=C2)C=NN=C(N)N.[N+](=O)(O)[O-] NO3 1 0.713 5 1 0 3.6765579370165 16196323 C=CC[N+]1=C2CCCCCN2C3=CC=CC=C3C1=O.[I-] I- 1 2.922 2 1 -10.2633310010756 16196321 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CN2C(CC3=CC=CC=C32)C)N 1 1.333 5 4 0 -11.8531378389049 16196319 [B-](F)(F)(F)F.CC1=CC(=CC(=[N+]1CC2CCCO2)C)/C=C\3/N(C4=CC=CC=C4S3)C F[B-](F)(F)F 1 4.735 2 1 0.139442819861469 16196318 CC(C)N(C1=CC=CC=C1)C(=O)C[N+]2=C(SC=C2)N.[Cl-] Cl- 1 2.083 3 1 -7.02649820684351 16196317 C\1CC(=C(/C1=C\C2=CC=CC=C2)N3CCOCC3)C(=O)NP(=O)(N4CCOCC4)N5CCOCC5 1 0.417 4 5 0 -6.37379440123064 16196315 CC1=C(C=C(C=C1)/C(=C(/C(=S)NCCN2CCOCC2)\[N+]3=CC=CC=C3)/[O-])[N+](=O)[O-] 1 2.451 4 4 0 -9.90191173538422 16196314 CN(C)CCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3S2.Cl Cl- 1 3.483 2 1 -2.16051697914191 16196313 COC1=C(C=C(C=C1)C2=C[N+]3=C(N2C4=CC=CC=C4)SCC3)OC.[Br-] Br- 1 4.612 2 2 -4.24016680127738 16196312 COC1=NC=C(C=C1)NC(=O)C2CCCC2 1 1.992 2 2 0 -1.8005064330538 16196311 COC1=CC=CC=C1NC2=NN=C(S2)SCC3CCCCO3 1 3.098 3 2 -13.0393190730228 16196310 CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SC(C)C#N 1 3.667 3 1 -19.0217043916978 16196309 CC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C)N3C(=O)C4CC=CCC4C3=O 1 2.667 3 3 -5.29678360122992 16196308 C1CSC2=[N+]1C=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-].[Br-] Br- 1 4.54 3 2 -3.25659602447325 16196307 C1=CC=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)OC(F)F.[Br-] Br- 1 4.287 2 3 -7.39881537794563 16196305 CC1=CC2=C(C=C1)OC(=CC2=[NH+]CCCCCC(=O)O)C3=CC=C(C=C3)OC.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.726 1 4 -3.78449705307735 16196303 CC(C)C(C)NC(=O)CSC1=NN/C(=C\2/C=NC3=CC=CC=C32)/O1 1 3.186 4 2 -14.6151032057872 16196302 CC1(CC(=CC(=C(C#N)C#N)C1)NCCN2CCN(CC2)C3=CC(=C(C#N)C#N)CC(C3)(C)C)C.Cl Cl- 1 3.392 7 0 0 -8.47126138774723 16196301 C1C(OC2=CC=CC=C2O1)CNC(=O)CCC3=CNC4=CC=CC=C43 1 3.285 2 3 -15.2268123863964 16196300 C1CSC2=[N+]1C=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl.[Cl-] Cl- 1 5.31 2 0 1.86381549871225 16196298 CC1=CSC(=N1)SC(C)C(=O)NCC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.448 3 2 -16.2274772463245 16196297 CN(C)C(=O)CN1CCN(CC1)C(=O)CCl.Cl Cl- 1 -0.665 3 2 0 -6.62569763845473 16196296 CC1CCCC(N1N=C/C=C/C2=CC=CC=C2[N+](=O)[O-])C 1 3.49 3 2 1.99745447445857 16196295 CCS(=O)(=O)C1=CC=C(C=C1)N.Cl Cl- 1 0.958 1 2 0 -7.95920557476362 16196293 COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)C2COC3=CC=CC=C3O2 1 2.292 2 5 0 -5.15698895299249 16196292 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)C#N.Cl Cl- 1 2.267 3 4 0 -6.06261221929741 16196291 CCOC(=O)C1=C(NC(=C1C)C2=CSC(=N2)N)C.Cl Cl- 1 2.248 3 2 -4.12802563782986e-002 16196290 CCC1(C(=O)N(C(=O)N1)CC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)Cl 1 3.703 2 4 -2.55216182316544 16196287 CC1=NN=NN1/C(=C\C2=CC=CC=C2)/C(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3 1 -0.222 5 5 0 -21.7731303286067 16196286 C1CCC2=[N+](C=C(N2CC1)C3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-].[Br-] Br- 1 5.213 3 2 2.67976095354456 16196285 COC1=CC=CC(=C1)NC2=NN=C(S2)SCC3CCCCO3 1 3.098 3 2 -11.1904693087339 16196284 CC(=O)NC1=CC=C(C=C1)C(=O)CN2C3=[N+](CCCCC3)C4=C2C=CC(=C4F)F.[Br-] Br- 1 4.204 3 2 -8.00167328129889 16196283 CC1=C(SC=[N+]1CC#N)CCOC(=O)C23CC4CC(C2)CC(C4)C3.[Cl-] Cl- 1 4.16 2 2 -1.73849951779038 16196282 CCNC1=NN=C(CS1)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C.Cl Cl- 1 3.991 4 0 -10.1729458308218 16196281 CC(C)(CNS(=O)(=O)C1=CC=C(C=C1)Cl)CN(C)C.Cl Cl- 1 2.458 2 2 -2.815446574321 16196280 CC1=CC2=C(C=C1)OC(=CC2=[NH+]C3=CC=CC(=C3)C(=O)O)C4=CC=C(C=C4)OC.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.969 1 4 1.32692498769007 16196279 CC1=CC(=C(N1CCOC)C)C2=NN=C(SC2)NC3CC3.Cl Cl- 1 2.096 4 1 -13.1151608667964 16196278 CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C[N+]3=CC=C(C=C3)N(C)C.[Cl-] Cl- 1 4.236 3 3 -22.5072843536123 16196275 CCOC1=CC=C/C(=C\NNC(=S)NCCN2CCOCC2)/C1=O 1 0.418 4 3 0 -12.9000112798699 16196274 CC1=CC2=C(C=C1)OC(=CC2=NCCC(=O)O)C3=CC=C(C=C3)OC.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 3.596 1 4 -1.78261629159515 16196273 CC(C)COC1=C(C=C(C=C1)N)OCC(C)C.Cl Cl- 1 3.434 1 2 -5.42946658266485 16196272 CC1(CC(=CC(=[N+]2CCCC2)C1)NNCCC#N)C.[I-] I- 1 1.088 4 0 0 -9.44797993241356 16196271 COC1=C(C=C(C=C1)C2=NC(=CS2)CCl)OC.Cl Cl- 1 2.993 1 2 -0.547177980403772 16196270 COC1=NC=C(C=C1)NC(=O)CC2=CC=CC=C2 1 2.021 2 2 -8.11693236143339 16196269 CC1=C(C=C(C=C1)Cl)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Cl-] Cl- 1 5.09 3 3 -7.52673072644276 16196268 C1CC2=C(C1)SC3=NC=NC(=C23)NCC4=CN=CC=C4.Cl Cl- 1 2.819 4 0 -7.85900475776122 16196267 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5.Cl Cl- 1 2.78 4 6 0 -8.84286199296926 16196266 COC1=CC=CC=C1N2CCN(CC2)CC(COCC3=CC=CS3)O.Cl Cl- 1 2.615 2 3 -4.43901975465385 16196264 C1=CC2=C(C(=C1)C[N+]3=C(C=CC(=C3)Cl)N)N=CC=C2.[Br-] Br- 1 3.246 3 0 2.81400987392786 16196263 CC(C)[C@@H](C(=O)OCC(=O)/C(=C(\C)/N)/C#N)NC(=O)C1=CC=CC=C1Cl 1 1.858 3 4 0 -24.0699702621992 16196262 CC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)F)C.[Br-] Br- 1 3.71 2 1 -2.60740200465022 16196261 CC1=CC=C(C=C1)/C=C(/C(=O)NCCCN2C=CN=C2)\NC(=O)C3=CC=C(C=C3)C 1 2.771 4 2 -17.7209561977147 16196260 CCOC1=CC=C(C=C1)N2C3=[N+](CCCCC3)C=C2C4=CC=C(C=C4)Br.[Br-] Br- 1 6.392 2 1 1.99788583744063 16196259 COCCN1C(=O)/C(=C/C2=C(C=C(C=C2OC)OC)OC)/C(=O)N(C1=O)C3=CC=CC=C3 1 2.672 2 7 0 -6.58857865297094 16196258 C[N+]1=CC=CC(=C1)C=NNC(=O)CC23CC4CC(C2)CC(C4)C3.[I-] I- 1 3.214 3 1 -7.50032307360038 16196257 CC1=CC(=C(C=C1)SC(C)C(=O)NC(=O)N)C 1 2.462 2 2 -5.65799100303666 16196256 CN(C)CCCSC1=NC2=CC=CC=C2S1.Cl Cl- 1 3.198 2 0 -1.63491966722667 16196255 CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C.Br Br- 1 2.519 4 3 0 -11.0148745627274 16196254 CCN1CCCC(C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl.Cl Cl- 1 5.46 2 2 -2.58949975195849 16196253 C1=CC2=C(C(=C1)C[N+]3=C(C=CC(=C3)Br)N)N=CC=C2.[Br-] Br- 1 3.33 3 0 1.44149402053017 16196252 CC(C)(C)C1=CC=C(C=C1)C2=CN(C3=[N+]2CCCS3)C4=CC=C(C=C4)Br.[Br-] Br- 1 6.856 2 0 3.05228987572884 16196251 CN1CCN(CC1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4.Cl Cl- 1 2.836 5 1 2.53797594547297 16196249 CC1=CC(=C2C(=C1)C=CC=N2)C[N+]3=C(SC=C3)N.[Br-] Br- 1 2.77 3 0 1.58926648043202 16196248 C1=CC2=C(C(=C1)C[N+]3=C(SC=C3)N)N=CC=C2.[Br-] Br- 1 2.284 3 0 -0.556437001309942 16196247 C1CC2=[N+](C=C(N2C3=CC=CC=C3)C4=CC=CS4)C5=CC=CC=C51.[Br-] Br- 1 5.999 2 0 -0.884975508676703 16196246 CCCCC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)Cl)C.[Br-] Br- 1 5.748 2 1 -1.66633775871206 16196245 CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4.Cl Cl- 1 5.433 4 3 0 -1.73943749500303 16196244 CCCN1C2=CC=CC=C2N=C1SCC(=O)C(C)(C)C.Cl Cl- 1 4.635 2 1 -11.7856161394872 16196243 COC1=CC=C(C=C1)N2C=C([N+]3=C2CCCCC3)C4=CC=C(C=C4)OC(F)F.[Br-] Br- 1 6.101 2 2 5.56118230025435 16196242 CC1=CC(=C2C(=C1)C=CC=N2)C[N+]3=C(C=CC(=C3)Br)N.[Br-] Br- 1 3.816 3 0 3.58719750227213 16196241 CC1=CC(=C2C(=C1)C=CC=N2)C[N+]3=C(C=CC(=C3)Cl)N.[Br-] Br- 1 3.732 3 0 4.95971335566982 16196239 CC[N+]1(CCOCC1)CC(COC2CC(CC(C2)(C)C)C)O.[I-] I- 1 0.928 1 3 0 -8.12560732494319 16196238 CCN1C=C[N+](=C1P(=O)(N(CC)CC)N(CC)CC)CC.[I-] I- 1 1.723 4 1 0 -0.893477782926273 16196237 CC1CC(CC(C1)(C)C)OCC(C[N+]2(CCOCC2)C)O.[I-] I- 1 0.579 1 3 0 -8.55064660370113 16196236 CC(CN1CCN(CC1)CC2=CC=CC=C2)OC(=O)C3=CC=CO3.Cl Cl- 1 3.137 2 3 -1.63112122556819 16196235 CCOC(=O)C1=C(NC(=C1C)C(=O)CN2C(=O)C(NC2=O)(C)CC(C)C)C 1 2.55 3 5 0 -11.0520478511518 16196234 CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N(C)C3CCS(=O)(=O)C3)C 1 1.58 4 3 0 -25.5838398235148 16196233 CC1=C[N+](=CC=C1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3.[Cl-] Cl- 1 3.349 3 2 -3.56703068285604 16196232 CCN1CCN(CC1)C2=NC(=C(S2)Cl)S(=O)(=O)C3=CC=C(C=C3)C.Cl Cl- 1 3.262 3 2 -4.88196101946458 16196231 C1COCCN1CCNC(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4.Cl Cl- 1 2.355 5 2 0 -0.10041004093229 16196230 C[C@@H](C(=O)OC(C)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C 1 0.58 3 6 0 -16.4435901939824 16196229 CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)N.Cl Cl- 1 3.64 1 2 5.06660856884442 16196228 CCN(CC)C(=O)C1=C(C(=C(S1)N/C(=C(/C(=S)NC2=CC=C(C=C2)C(=O)C)\[N+]3=CC=CC=C3)/[O-])C(=O)OCC)C 1 5.036 4 5 0 -21.9654022510951 16196227 C1CC2=[N+](C=C(N2C1)C3=CC=CC=C3)CC(=O)C4=CC=CS4.[Br-] Br- 1 4.032 2 1 -2.13199165176656 16196226 CC1=CCCC(C1/C=C/C(=NNC(=O)C2=CC=NC=C2)C)(C)C 1 3.104 3 1 -5.85322301827302 16196225 CC1(CC(=CC(=[N+]2CCCCCC2)C1)N3CCCC3)C.[I-] I- 1 3.582 2 0 -2.99510638553014 16196223 CC1=CC(=CC(=[N+]1C2=CC=C(C=C2)OC)C)/C=C\3/N(C4=CC=CC=C4S3)C.[I-] I- 1 5.936 2 1 -0.576091020590058 16196222 CCN1CCN(CC1)C(=O)C2=CC=CC=C2NC3=CC=C(C=C3)SC(F)F.Cl Cl- 1 4.463 3 1 -3.84050337540704 16196221 COC1=CC=C(C=C1)C2=CSC(=N2)NNC3=NCCCCC3.Br Br- 1 2.691 4 1 0.752348888354707 16196220 CC1=C(SC=[N+]1CC(=O)C2=CC=C(C=C2)Br)CCOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-].[Br-] Br- 1 5.331 3 7 0 -4.76389873049086 16196218 C1CCC2=[N+](C=C(N2CC1)C3=CC=C(C=C3)Br)CC(=O)C4=CC=CC=C4.[Br-] Br- 1 5.739 2 1 0.649805487556857 16196217 CC(C(=O)NN1CC2=CC=CC=C2C1=N)OC3=CC=CC=C3.Br Br- 1 2.205 3 2 -8.1881057501047 16196216 CCN1C(=NC2=C1C=C[N+](=C2C)CC(=O)C3=CC=C(C=C3)Br)C.[Br-] Br- 1 3.915 3 1 -2.10306687290886 16196215 CC1=CSC(=NC2=CC=CC=C2)N1C.Br Br- 1 2.353 2 0 -1.9134278004565 16196214 CN1CCN(CC1)C(=O)C2=CC=CC=C2NC3=CC=C(C=C3)SC(F)F.Cl Cl- 1 4.115 3 1 -2.23384747195617 16196213 CC1=CC(=NC(=N1)NN=C\2CCCC/C2=C\C3=CC=CC=C3)C 1 3.755 4 0 -4.12451143527274 16196212 C1C(C2=C(C(N1)C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC=C42)C5=CC=CC=C5Cl.Cl Cl- 1 5.443 3 2 -10.2453107029706 16196210 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNCCCN2CCOCC2)OC.Cl Cl- 1 1.214 3 4 0 -16.6191890676886 16196209 CN1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)F)/C3=CSC=C3.Cl Cl- 1 3.015 2 1 -4.7523133189325 16196207 COC1=CC(=CC(=C1OC)OC)/C=C(/C2=NC3=CC=CC=C3N2)\C(=O)OC.Cl Cl- 1 3.504 2 5 0 -0.865675292810905 16196206 CC1=CC(=C(C=C1)N2C(=CC(=N2)C)N)C.Cl Cl- 1 2.689 3 0 -2.3400936475826 16196204 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C)C.[Cl-] Cl- 1 5.08 2 2 3.72556700644136 16196203 CCN1CCCC(C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C.Cl Cl- 1 5.282 2 2 -3.06563193178789 16196202 CC1(CC(=O)CC2(C1)C3=C(C(CN2)C4=CC=CC=C4Cl)C5=CC=CC=C5N3)C.Cl Cl- 1 4.927 2 1 -5.2868037347121 16196200 CCN1C(=CSC1=NC2=CC=C(C=C2)C(=O)OCC)C.Br Br- 1 2.906 2 2 -7.37739797969997 16196198 C1=CC(=CC=C1CNC(=O)COC(=O)[C@H](CCC(=O)N)NC(=O)C2=CC=C(C=C2)F)F 1 1.358 3 5 0 -23.3170685981992 16196197 CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)/C(=C(/C(=S)NC3=CC=C(C=C3)F)\[N+]4=CC=CC=C4)/[O-] 1 6.142 3 1 -6.73942606893882 16196196 CCCCNC(=S)NCCN1CCN(CC1)C(=S)NCCCC.Cl Cl- 1 4.284 5 0 -16.1364822922426 16196195 C[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=C(C=C3)OC)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 6.556 1 1 7.30018693742948 16196194 CC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C.[Br-] Br- 1 4.179 4 1 -14.7196553076341 16196193 C1=CC=C(C=C1)C2=C[N+]3=C(N2CC(=O)C4=CC=C(C=C4)Br)SC=C3.[Br-] Br- 1 4.688 2 1 -2.54277902963424 16196192 CC1CCC(C(C1)OC(=O)C[N+]2=C3CCCCCN3C(=C2)C4=CC=C(C=C4)Cl)C(C)C.[Cl-] Cl- 1 7.244 2 2 5.68668474199395 16196191 COC1=CC=C(C=C1)N2C3=[N+](CCCCC3)C=C2C4=CC=C(C=C4)Br.[Br-] Br- 1 6.043 2 1 2.76410898914866 16196190 CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)CN(C)C)NC(=O)CCl.Cl Cl- 1 3.143 2 3 -8.44426164999541 16196189 CC1=C(N=C(S1)NC2=NCCCCC2)C3=CC=C(C=C3)OC.Br Br- 1 3.451 3 1 -4.60737089629522 16196188 C1=CC=C(C(=C1)COC2=CC=CC=C2C(=O)NN/C=C\3/C=CC=N3)Cl 1 2.609 3 2 -6.01391021142316 16196187 CC1CCC2=NC3=CC=CC=C3C(=C2C1)C.Cl Cl- 1 4.274 1 0 -0.301067719210062 16196186 CC1=C(SC=[NH+]1)CCOC(=O)C2=CC=CC=C2.[Cl-] Cl- 1 3.332 1 2 -3.51370228256439 16196185 CCC1=CC=C(C=C1)NC(=O)CN2C3=[N+](CCCCC3)C4=C2C=CC(=C4F)F.[I-] I- 1 5.406 3 1 -6.28677055058543 16196183 [B-](F)(F)(F)F.CCN1C(=C([N+]2=CC=CC=C12)P(C3=CC=CC=C3)C4=CC=CC=C4)C F[B-](F)(F)F 1 6.102 2 0 -1.50997948153188 16196182 C1=CC=C2C(=C1)N(C(=[N+]2C3=CC=CC=N3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C5=CC=CC=N5.[I-] I- 1 6.402 5 2 0 -0.269258546273004 16196181 CN1C2=C(C=C(C=C2)OC)N=C1SCC(=O)OC.Br Br- 1 2.325 2 3 -10.0167404416785 16196180 C1=CC=C(C=C1)CSCC2=CN3C=CC=CC3=N2.Cl Cl- 1 2.917 2 0 -5.9818266845585 16196179 CC1=C(C=C(C=C1)N2CC3=CC=CC=C3C2=N)[N+](=O)[O-].Br Br- 1 3.009 3 2 -6.78283721519454 16196178 CCOC1=CC=C(C=C1)C2=CSC(=N2)NNC3=NCCCCC3.Br Br- 1 3.04 4 1 -1.38742633533159e-002 16196177 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5.Cl Cl- 1 4.96 3 1 -4.50245160533273 16196176 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC.Cl Cl- 1 3.077 3 5 0 -14.3072354673283 16196175 COC1=CC(=CC(=C1OC)OC)COCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O.Cl Cl- 1 2.521 2 7 0 -7.48055839277088 16196174 C1COCCN1CCCNC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl.Cl Cl- 1 3.716 2 2 -8.27148056128006 16196173 COC1=CC=C(C=C1)NCC(=O)NN=C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.582 4 4 0 -5.88444784079923 16196172 CCOC(=O)NN=C/C(=C/C1=CC=CC=C1)/Cl 1 2.74 2 2 -6.54237014233956 16196171 CC(C)(C)NN=CC1=C(C=C(C=C1)OC)OC.Cl Cl- 1 2.256 2 2 -1.36636149046982 16196170 CC(=NN1CCN(CC1)C)C2=CC(=C(C=C2)Cl)Cl.Cl Cl- 1 2.83 3 0 4.53645199129538 16196168 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 4.146 2 3 6.99032329076259 16196167 COC1=CC=CC(=C1)C2=NC(=CS2)CCl.Cl Cl- 1 3.009 1 1 4.86882689619617 16196166 C1CCN(C1)C2=C(C=C(C=C2)Cl)N.Cl Cl- 1 2.37 2 0 3.93703328521208 16196165 CC1=C(C=C(C=C1)N2C3=[N+](C=C2C4=CC=CS4)C5=CC=CC=C5CC3)C.[Br-] Br- 1 6.971 2 0 0.841611025547153 16196163 CC(C)C1=CC=C(C=C1)N2C3=[N+](C=C2C4=CC=CC=C4)C5=CC=CC=C5CC3.[Br-] Br- 1 7.24 2 0 3.04540484337553 16196162 CC1CC(C[N+](=C2CC(CC(=C2)N3CCCC3)(C)C)C1)C.[I-] I- 1 3.764 2 0 -4.73298064849958 16196161 C1COCCN1C(CNC(=O)CC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)F.Cl Cl- 1 3.608 2 2 -15.2250384890019 16196160 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=[N+](C4=CC=CC=C4N3C5=CC=CC=N5)C6=CC=CC=N6.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 7.361 4 0 3.7524953607356 16196159 CC1(CC(=CC(=[N+]2CCOCC2)C1)N3CCOCC3)C.[I-] I- 1 1.123 2 2 0 -4.49799689790371 16196158 C1=CC(=CC=C1NC(=O)CN2C=CSC2=N)SC(F)F.Cl Cl- 1 2.057 3 1 -13.058517928953 16196157 CN1CCCC(C1)OC(=O)C2=CC(=CC(=C2)Cl)Cl.Cl Cl- 1 3.642 1 2 -2.14770811382429 16196156 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)[C@H](C)N3C(=O)C4CC=CCC4C3=O 1 2.07 3 6 0 -15.8105004732236 16196155 CC1=CS/C(=C(\C#N)/C2=C3C=C(C=CC3=NC2=O)F)/N1 1 1.258 3 1 0 -8.24327343826509 16196154 C1=CC(=C[N+](=C1)CC(=O)N)CNC(=O)C2=CC=C(C=C2)OC(F)F.[Cl-] Cl- 1 1.885 3 3 0 -7.39181133182362 16196153 COC1=CC=CC(=C1)N2C3=[N+](C=C2C4=CC=CS4)C5=CC=CC=C5CC3.[Br-] Br- 1 5.983 2 1 -0.595337646717575 16196151 CC1=CC(=C(C=C1)N2C3=[N+](C=C2C4=CC=CC=C4)C5=CC=CC=C5CC3)C.[Br-] Br- 1 7.018 2 0 2.48760036995759 16196150 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CN3C=CSC3=N.Cl Cl- 1 2.312 3 1 -17.1608936720587 16196149 CCN(CC)P(C1=[N+](C=CN1C)C)N(CC)CC.[I-] I- 1 1.775 4 0 0 -0.852373651467825 16196148 CC(C)(C)C(=O)CNCC(=O)C(C)(C)C.Br Br- 1 2.04 1 2 -4.88124290898033 16196146 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[N+](C(=CS3)C4=C(C=C(C=C4)Cl)Cl)CC=C.[Cl-] Cl- 1 5.022 4 1 -12.0285390055676 16196145 C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4.[Br-] Br- 1 3.267 2 4 -13.147894199374 16196144 CN1C=C[N+](=C1P(=S)(C2=CC=CC=C2)C3=CC=CC=C3)C.[Cl-] Cl- 1 4.945 2 0 -2.22187804288982 16196143 CC(C)(C)C1CCC(CC1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl Cl- 1 3.72 3 2 -1.82890765860837 16196142 CN1C2=[N+](CCCCC2)C=C1C3=CC=CC=C3.[Br-] Br- 1 3.735 2 0 1.34288792086406 16196141 C1COCCN1C2=NC(=C(S2)C(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4.Br Br- 1 4.448 2 2 2.30130440407819 16196140 CCOC(=O)C(=NNC1=CC=CC=C1[N+](=O)[O-])C2=CSC(=N2)N.Br Br- 1 2.352 5 4 0 -4.81995957568791 16196139 CN(C)CC1CCCCC1OC(=O)C2=CC=C(C=C2)Br.Cl Cl- 1 4.069 1 2 -2.35564457424578 16196137 C\1CC(=C(/C1=C/C2=CC=CC=C2)N3CCOCC3)C=NN4CCN(CC4)C5=CC=CC=N5 1 3.389 5 1 -0.114491213019044 16196135 CN(C)C1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.311 2 0 -1.326525604121 16196134 CC1CCCC(N1CC(COC2=C(C=C(C=C2F)Br)F)O)C.Cl Cl- 1 4.273 1 2 -5.05719701679347 16196133 C[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 7.236 1 0 9.53515183716044 16196132 CC1=CN2C(=NC(=NC3=CC=C(C=C3)OC)/C(=C\NO)/C2=O)C=C1 1 1.126 4 3 0 -6.09422653440822 16196131 CC1(C2C1CC(C(=NO)C2)(C)/[N+](=C/C3=CC(=CC=C3)[N+](=O)[O-])/[O-])C 1 2.213 3 4 0 2.66704247906404 16196130 CCOC(=O)NN=C/C=C/C1=CC=CC=C1[N+](=O)[O-] 1 2.265 3 4 0 -2.9442672619321 16196129 CC1=CSC(=[N+]1C2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)Cl.[Br-] Br- 1 5.225 2 0 -3.6428255939054 16196128 CC(=O)NC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=C(C=C(C=C3)Cl)Cl)CC=C.[Cl-] Cl- 1 5.049 3 1 -5.74103208912068 16196127 C[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.782 2 0 4.75411871334122 16196126 CN1CCN(CC1)NC(=O)C2=CN(N=C2C3=CC(=CC=C3)Br)C4=CC=CC=C4.Cl Cl- 1 3.631 5 1 7.80620574420267 16196125 CC1=C([N+]2=CC=CC=C2N1C)P(=S)(C3=CC=CC=C3)C4=CC=CC=C4.[I-] I- 1 5.923 2 0 -2.41223400454725 16196124 C[N+]1=C(NC=C1)SCC(=O)C2=CC=C(C=C2)Cl.[Br-] Br- 1 3.155 2 1 -0.197460971413841 16196123 CN1C(=C)SC2=C1C=C(C=C2)C=C.I I- 1 3.597 1 0 0.396718765308948 16196122 C1CCC2=[N+](CC1)C(=CS2)C3=CC=C(C=C3)Br.[Br-] Br- 1 4.846 1 0 1.34701789440825 16196121 C1=CC=C(C=C1)CNC(=S)/C(=C(/C2=CC=C(C=C2)Cl)\[O-])/[N+]3=CC=CC=C3 1 4.492 2 1 -2.20838028146604 16196120 CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NN3CCN(CC3)C)C4=CC=CC=C4.Cl Cl- 1 3.369 5 1 6.36616165635932 16196119 CC1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)C.Br Br- 1 1.765 3 1 0 3.34364641712752 16196118 C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4.Cl Cl- 1 2.778 2 4 -6.6273728809913 16196116 COC1=CC(=C(C=C1)C=NNC2=NCCCCC2)OC.Cl Cl- 1 2.414 3 2 -3.97743907838295 16196115 CCN1CCN(CC1)C2=C(C=C(C=C2)N)C.Cl Cl- 1 2.037 3 0 6.13484921725912 16196113 C[N+]1(CCOCC1)CC(COCC2COC3=CC=CC=C3O2)O.[I-] I- 1 -0.526 1 5 0 -6.92215474730478 16196112 CCC1=N[N+](=C(S1)N)CC(=O)C2=CC=CC=C2.[Br-] Br- 1 1.992 3 1 0 -3.15806361017737 16196111 C[N+]1(CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)F)CC(=O)NC3=CC=CC(=C3)C(F)(F)F.[Cl-] Cl- 1 2.098 3 2 -3.39309061522404 16196110 C1CN(CCN1CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl.Cl Cl- 1 2.957 3 1 -0.676824875417719 16196109 CN1CCN(CC1)N=CC2=C(C(=C(C=C2)OC)OC)OC.Cl Cl- 1 1.472 3 3 0 1.08556797771474 16196108 COC1=CC(=C(C=C1C(=O)NCCCN2C=CN=C2)OC)OC.Cl Cl- 1 0.793 3 4 0 -10.7963826497118 16196107 COC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=CC=C(C=C2)OC(F)F.[Cl-] Cl- 1 2.731 2 4 -4.74251973941715 16196106 C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=C(C=C(C=C3)Cl)Cl)CC4=CC=CO4.[Cl-] Cl- 1 6.078 2 1 3.81389596188583 16196105 CC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NC3=CC=C(C=C3)NC(=O)C.[Br-] Br- 1 4.207 3 1 -8.24385179685337 16196104 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)C[N+]3=CC=CC(=C3)Br)C)C.[Cl-] Cl- 1 4.424 2 1 7.24003173716079 16196103 CCC1=CC=C(C=C1)OCC(=O)NN2CC3=CC=CC=C3C2=N.Br Br- 1 2.663 3 2 -6.17145376710354 16196102 CN1CCC(CC1)N(C)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4.Cl Cl- 1 3.949 4 1 7.13439859139327 16196101 CC1=C(C=C(C=C1)/C(=C(/C(=S)NCC2=CC=CC=C2)\[N+]3=CC=CC(=C3)CO)/[O-])[N+](=O)[O-] 1 3.603 3 4 0 -8.31361763709157 16196100 CC1=CC=C(C=C1)C(=O)N(C)C2=CC=C(C=C2)OCC(=O)N3C4CCN(CC4C5=C3C=CC(=C5)C)C.Cl Cl- 1 4.38 3 3 -4.47725174589803 16196099 C1=CC=C(C=C1)C2=CP(=O)(C=C(O2)C3=CC=CC=C3)NCCCN4C=C[N+](=C4)CC(=O)C5=CC=CC=C5.[Br-] Br- 1 3.767 3 3 4.12524226341217 16196098 CC1=C(C(=CC=C1)C)OCC(CN2CCCCC2)O.Cl Cl- 1 3.331 1 2 -4.16321231377964 16196097 C1=CC=C(C=C1)C2=CP(=O)(C=C(O2)C3=CC=CC=C3)NCCCN4C=C[N+](=C4)CC(=O)C5=CC=CS5.[Br-] Br- 1 3.72 3 3 1.52519513047108 16196094 CC1CN(CC(O1)C)CC(COC2CCC(CC2)C(C)(C)C)O.Cl Cl- 1 3.145 1 3 -7.82312388424588 16196093 COC1=CC=C(C=C1)NC2=CC=CC=C2N.Cl Cl- 1 2.617 2 1 0.567093950284034 16196092 C1CCN(CC1)CC(=O)C2=CC=CC=C2F.Br Br- 1 2.698 1 1 -3.09052155580001 16196090 CN1CCN(CC1)N=CC2=CC=C(C=C2)C#N.Cl Cl- 1 1.4 4 0 0 0.156498968398789 16196089 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CSC(=[NH2+])N.[Cl-] Cl- 1 4.825 4 0 11.7278167049412 16196088 CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O.Cl Cl- 1 2.226 2 4 -2.81558519326268 16196087 C1CCN(C(C1)CO)CC(=O)C2=CC=C(C=C2)OC(F)F.Br Br- 1 2.787 1 3 -0.390994444208157 16196086 COC1=CC(=CC(=C1OC)OC)COCC(CN2CCN(CC2)CC3=CC=CC=C3)O.Cl Cl- 1 2.753 2 5 0 -6.33515804722391 16196085 C[N+]1(CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)F.[Cl-] Cl- 1 1.361 3 2 0 -8.30644848100349 16196084 C1CC2=NN=C(N2C1)COC3=CC=CC=C3C4=CC=CC=C4.Br Br- 1 3.194 3 1 -4.97197079733788 16196083 C[N+]1=CC=CC=C1C2CCCCC2=NNC(=S)N.[Cl-] Cl- 1 2.915 4 0 -3.69965574333716 16196082 COC1=CC(=C(C=C1)C=NNC(=O)C[N+]2=CC=CC=C2)OC.[Cl-] Cl- 1 2.106 3 3 -6.48444036306766 16196081 CC(=O)C1=CC=C(C=C1)N2C=C([N+]3=C2SCCC3)C4=CC=C(C=C4)C(C)(C)C.[Br-] Br- 1 5.848 2 1 -2.3464079050732 16196079 C/C(=C/1\C=CC=N1)/NNC(=O)OC(C)(C)C 1 0.801 3 2 0 -8.21727780012898 16196078 CN1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5.Cl Cl- 1 3.628 4 3 0 7.1528919911022 16196077 C1CCC2=[N+](CC1)C3=C(N2CC4=CC(=CC=C4)C(F)(F)F)C=C(C=C3)C(F)(F)F.[Cl-] Cl- 1 6.884 2 0 2.22011636656344 16196076 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[N+](C(=CS3)C4=CC=CC=C4)C5=CC=CC=C5.Br Br- 1 4.653 4 1 -13.6921427348701 16196075 C1CN(CCN1CC2=CC=CC=C2Cl)NC(=O)C3=CC=C(C=C3)Br.Cl Cl- 1 3.705 3 1 -2.21961215723399 16196074 CCCN(CCC)CC(COC1=CC2=C(C=C1)OCO2)O.Cl Cl- 1 2.954 1 4 -5.0684589651965 16196073 CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-].[Cl-] Cl- 1 4.583 3 7 0 -5.92488524348559 16196072 C1CN(CCN1CCO)CC(COCC2COC3=CC=CC=C3O2)O.Cl Cl- 1 0.559 2 5 0 -2.21669905153427 16196071 CC1=C(SC=[NH+]1)CCOC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-].[Cl-] Cl- 1 3.077 3 5 0 -7.85636352537156 16196070 C1COCC[N+]1(CCCNP2(=O)C=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)CC#N.[Cl-] Cl- 1 -0.371 3 3 0 -6.23504242353059 16196069 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2F.Cl Cl- 1 2.699 3 3 -11.8413544378822 16196068 CCC1=CC=C(C=C1)N2C=C([N+]3=C2SCCC3)C4=CC=C(C=C4)F.[Br-] Br- 1 5.856 2 0 0.581255670818323 16196067 CN1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C(=C(C=C4)Cl)Cl)Cl.Cl Cl- 1 5.39 3 1 -2.3184724605739 16196066 C1C[N+]2=C(N(C=C2C3=CC=C(C=C3)C#N)C4=CC=CC=C4)SC1.[Br-] Br- 1 4.587 3 0 -3.18341487912616 16196065 CN1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)F)/C#N.Cl Cl- 1 1.713 3 1 0 -7.53905719812276 16196064 COC(=O)C1=CC(=CC(=C1)C(=O)NCCCN2CCOCC2)[N+](=O)[O-].Cl Cl- 1 0.676 3 6 0 -14.8840102194051 16196063 C1CCC2=[N+](CC1)C3=C(N2CC(=O)C4=CC5=C(C=C4)OCCO5)C=C(C=C3)C(F)(F)F.[Cl-] Cl- 1 5.4 2 3 -2.99211642425377 16196061 CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)C(F)(F)F.Cl Cl- 1 3.836 2 1 -8.81378605684888 16196060 C/C(=C\C(=[NH+]C1=CC=CC=C1)C)/NC2=CC=CC=C2.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 3.616 2 0 -1.24174468655132 16196059 C1CCN(C1)CC(COC2=CC3=C(C=C2)OCO3)O.Cl Cl- 1 1.67 1 4 0 -4.81926369329677 16196058 CCN1CCN(CC1)CC(COCC2COC3=CC=CC=C3O2)O.Cl Cl- 1 1.447 2 4 0 -4.3584790237511 16196057 CC(C)(CNC(=O)C1CCCN1C(=O)C2=CC=CS2)N3CCOCC3 1 1.262 3 3 0 -19.7754574508725 16196056 CC1=CSC(=NC2=CC=CC=C2)N1CC3=CC=CO3.Br Br- 1 3.118 2 1 -3.93752593015899 16196055 C1C2=CC=CC=C2C(=N)N1NC(=O)COC3=CC=C(C=C3)C#N.Br Br- 1 1.599 4 2 0 -8.55775478099514 16196054 C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CO3.Cl Cl- 1 3.383 3 2 -7.79281587754808 16196053 CC(C)NC(=O)CN1CCN(CC1)C(=O)CCl.Cl Cl- 1 -0.145 3 2 0 -15.00017679128 16196052 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NN2CC3=CC=CC=C3C2=N.Br Br- 1 3.121 3 2 -3.35388148221315 16196051 CCN1CCN(CC1)CC(=O)C2=CC=C(C=C2)OC.Br Br- 1 1.865 2 2 0 -3.31947930576504 16196050 CCOC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=CC=CC=C2OC(F)F.[Cl-] Cl- 1 3.08 2 4 -9.82423964557396 16196049 CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC2=C(C3=C(C=CC=N3)C=C2)[NH+]=C1 Cc1ccc(cc1)S(=O)(=O)O 1 2.614 2 0 1.30002264769964 16196048 CCOC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl.[Cl-] Cl- 1 3.881 2 3 -4.38958880249844 16196047 CN1CCCN(CC1)C(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 3.06 2 1 1.42509721844969 16196045 C1=CC=[N+](C=C1)CC(=O)NN=CC2=CC=CC=C2[N+](=O)[O-].[Cl-] Cl- 1 2.034 4 3 0 -8.48503771140313 16196044 C1=CC(=CC(=C1)F)C=NN=CC2=CC(=CC=C2)F.O H2O 1 3.906 2 0 3.13600287084936 16196043 COC1=CC=C(C=C1)C(=O)CN2CCCCC2.Br Br- 1 2.476 1 2 -3.05245117887235 16196042 C1C2=CC=CC=C2C(=N)N1NC(=O)COC3=CC=C(C=C3)Cl.Br Br- 1 2.385 3 2 -4.11001694073764 16196041 CC(C)(C)C1=CC=[N+](C=C1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3.[Cl-] Cl- 1 4.263 3 2 -2.90423164076168 16196039 CC(C(=O)NC1CCCC1)NCC(C2=CC=CO2)N3CCCCC3.Cl Cl- 1 2.686 3 2 -13.9626141707874 16196038 CC(C)CC1C(=O)N(C(=O)N1)CC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C 1 1.206 4 4 0 -17.6287052324528 16196036 CC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3.[Cl-] Cl- 1 5.151 1 1 -2.00117239700773 16196035 CC\1=NC2=CC=CC=C2/C1=C/NNC(=S)NCC3=CC=CC=C3 1 2.894 4 0 -7.90167139650326 16196033 C1=CC=[N+](C=C1)/C(=C(\C2=CC=C(C=C2)OC(F)F)/[O-])/C(=S)NC3=CC=C(C=C3)Cl 1 5.568 2 2 2.26713234719948 16196032 CC1=CC(=C(C=C1C2=CSC(=N2)NCCOC)C)C.Cl Cl- 1 3.438 2 1 2.30437416080491 16196031 C1=CC=C(C(=C1)OCCN)OCCN.Cl Cl- 1 0.139 2 2 0 -2.64638199806122 16196030 CC1=CC=C(C=C1)C2=NC(N=C(N2)SC)C(Cl)(Cl)Cl.Cl Cl- 1 4.646 3 0 -0.992287332348433 16196029 C1=CC=[N+](C=C1)/C(=C(\C2=CC=C(C=C2)OC(F)F)/[O-])/C(=S)NC3=CC=CC4=CC=CC=C43 1 5.812 2 2 -0.36213958921429 16196028 CC1=CC=CC=C1N=C2N(C(=CS2)C)CC=C.Br Br- 1 3.456 2 0 -6.56428547287923 16196027 CC1=CC(=C(C=C1/C(=C(/C(=S)NC2=CC=C(C=C2)SC(F)F)\[N+]3=CC=CC=C3)/[O-])C)C 1 6.92 2 1 -1.27920347745652 16196026 C1CN(CCN1)C2=C(C(=C(C(=C2F)F)F)F)F.Cl Cl- 1 2.441 2 0 -1.59971463559541 16196025 COC1=C(C=C(C=C1)Br)C2=NC(=CS2)CCl.Cl Cl- 1 3.757 1 1 3.00141879261342 16196024 CN1C2=CC=CC=C2[N+](=C1CC(=O)C3=CC=C(C=C3)Br)C.[Cl-] Cl- 1 4.582 2 1 -0.774993717270529 16196023 CC1=CC(=C(N1CC=C)C)/C(=C(/C(=S)NC2=CC=C(C=C2)OC(F)F)\[N+]3=CC=C(C=C3)N(C)C)/[O-] 1 5.273 4 2 -7.68407801939928 16196022 CC(C)[C@@H](C(=O)OCC(=O)NC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.643 2 8 0 -28.1659289375883 16196021 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NN/C=C\4/C=CC=N4 1 3.175 4 1 -3.63090164044637 16196020 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C(F)(F)F.Cl Cl- 1 2.143 2 1 1.51580724540977 16196019 C1CCC2=[N+](CC1)C3=C(N2CC(=O)NC4=CC=C(C=C4)C#N)C=C(C=C3)C(F)(F)F.[Br-] Br- 1 4.874 4 1 -3.93750529896484 16196018 C1CCC2=[N+](CC1)C3=C(N2CC(=O)NC4=C(C=CC=C4F)F)C=C(C=C3)C(F)(F)F.[Cl-] Cl- 1 5.406 3 1 -1.65484422066905 16196017 C1COCCOCCOC2=C(C=CC(=C2)N)OCCOCCO1.Cl Cl- 1 0.345 1 6 0 -1.04208224880017 16196016 C1=CC=C2C(=C1)C=CC=[N+]2CC3=CC=C(C=C3)[N+](=O)[O-].[Cl-] Cl- 1 4.112 2 2 1.68493432727055 16196015 CCOC1=CC=C(C=C1)N2C(=C[N+]3=C2SCC3)C4=CC=C(C=C4)Cl.[Br-] Br- 1 5.642 2 1 1.35111864844772 16196013 C1=CC=C(C=C1)CNC(=S)/C(=C(/C2=CC=C(S2)Cl)\[O-])/[N+]3=CC=CC=C3 1 4.24 2 1 -1.2732503514623 16196008 C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCCN.Cl Cl- 1 3.394 1 1 4.75311835508811 16196007 CC1=C(C=C(C=C1)/C(=C(/C(=S)NCC2=CC=CO2)\[N+]3=CC=CC=C3)/[O-])[N+](=O)[O-] 1 3.39 3 4 0 -9.14081561617456 16196006 C[N+]1=C(C=C(C=C1C2=CC=CC=C2)CCCCC3=CC(=[N+](C(=C3)C4=CC=CC=C4)C)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 11.621 2 0 2.79103456486663 16196005 CC1=CC=[N+](C2=CC=CC=C12)C3=CC=CC=C3.[Cl-] Cl- 1 4.697 1 0 -1.004838884255 16196004 C1CCC(CC1)(CNC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)N5CCCCC5 1 2.865 3 4 0 -15.2512400919062 16196003 CN(CCC1=CC=CC=N1)C(=O)C2=CC=C(C=C2)OC(F)(F)F.Cl Cl- 1 4.26 2 2 -3.45375472519815 16196002 COC1=CC(=C(C=C1)OC)C(=O)CN2C3=[N+](CCCCC3)C4=C2C=C(C=C4)C(F)(F)F.[Cl-] Cl- 1 5.582 2 3 -2.11092280352102 16196001 COC1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C(=O)CC3=CC=CC=C3.[Cl-] Cl- 1 4.887 1 2 -0.144886925944071 16196000 CN1CCN(CC1)N=CC2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=CC=C4.Cl Cl- 1 4.853 4 0 2.68580486291871 16195999 C1=CC=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)CC3=CC=CC=C3.[Cl-] Cl- 1 3.809 2 1 -7.4961854755247 16195998 CC1=CC(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] Cl- 1 4.908 1 0 6.3227228341707 16195997 CN(C)C1=CC=C(C=C1)/C=C/C2=[N+](C3=C(C=C2)C4=CC=CC=C4C=C3)C5=CC=CC=C5.[Cl-] Cl- 1 7.559 2 0 1.48560652404867 16195994 CC[N+]1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2.[Cl-] Cl- 1 2.575 2 1 -7.65733108588634 16195992 CCC1=NN(C(=N)S1)CC(=O)NC2=CC(=C(C=C2)Br)C.Cl Cl- 1 3.213 4 1 -11.3139897475057 16195991 CCOC1=C(C=C(C=C1)C2=NC(=CS2)CCl)OC.Cl Cl- 1 3.341 1 2 -2.05078707763227 16195990 CC\1(C2=CC=CC=C2N(/C1=C/C(=S)NC(=O)C3(CC3(Cl)Cl)C)C)C 1 4.128 2 1 4.24301003426593 16195989 C1=CC2=C(C(=C1)OCC3=CC=C(C=C3)C(=O)NN/C=C\4/C=CC=N4)N=CC=C2 1 2.13 4 2 -9.63406544554891 16195988 CN1CCN(CC1)N=CC2=CC=C(C=C2)Br.Cl Cl- 1 2.269 3 0 3.14757706355485 16195987 CN1CCN(CC1)N=CC2=CC=C(C=C2)SC.Cl Cl- 1 2.063 3 0 4.98735505853928 16195986 C1CN=C(N1)SCC2=CC=C(C=C2)C#N.Br Br- 1 2.116 3 0 -10.7704659870334 16195985 CCN(CC(COCC1=CC=C(C=C1)Cl)O)C2CCCCC2.Cl Cl- 1 4.133 1 2 -3.25524251784906 16195984 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C=CSC2=N.Cl Cl- 1 1.315 3 3 0 -21.4628300747478 16195983 C1C(N(N=C1C2=CC=C(C=C2)Cl)C(=O)CN3C=CSC3=N)C4=CC=CO4.Cl Cl- 1 2.447 4 2 -15.5396141603927 16195981 COC1=CC=C(C=C1)C(=O)CCN2CCC3=CC(=C(C=C3C2)OC)OC.Cl Cl- 1 3.433 1 4 -5.30175150373461 16195980 CC(C)(C)C1=CC=C(C=C1)NC(=O)CNC2CCCC3=CC=CC=C23.Cl Cl- 1 4.42 2 1 -0.537328248919569 16195979 C[C@@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)N3C(=O)C4CCCCC4C3=O 1 2.703 4 5 0 -23.7407337027944 16195978 COC1=NC=C(C=C1)NC(=O)CC2=C(C=CC=C2Cl)Cl 1 3.35 2 2 -8.81649677784516 16195977 CC(C)(C)NC1=[N+](C(=CS1)C2=CC=CC=C2)CC=C.[Br-] Br- 1 3.955 2 0 -8.31309883274059 16195976 CCN(CC)CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3.Cl Cl- 1 3.402 3 2 -7.25740725132233 16195975 CC1=NN(C(=O)C1)CCC2=NC(=CS2)C3=CC=C(C=C3)OC.Br Br- 1 1.957 3 2 0 -0.105628113333145 16195974 C1=CC=[N+](C=C1)/C(=C(\C2=C(C=C(C=C2)Cl)Cl)/[O-])/C(=S)NC3=CC=C(C=C3)SC(F)F 1 6.791 2 1 1.0254418203168 16195973 C1CCC(=NCC1)NNC2=NC(=CS2)C3=CC4=C(C=C3)OCCO4.Br Br- 1 2.493 4 2 -1.20143189868259 16195972 C1CCC2=NN/C(=C(/C#N)\C(=O)COC3=CC=CC=C3)/N2CC1 1 2.013 4 2 -11.6035731083831 16195971 C=CCNC1=[N+](C(=CS1)C2=CC=CC=C2)CC=C.[Br-] Br- 1 3.641 2 0 -6.61640129373363 16195970 CC1(C(C(N=C2N1C(=NN2)C(F)(F)F)C3=CC=C(C=C3)Br)C(=O)OC)O.Cl Cl- 1 2.409 4 3 0 -4.15810837955267 16195969 C1=CC=NC(=C1)C(=O)NN/C=C/2\C=NC3=C2C=C(C=C3)Br 1 1.71 4 1 0 -1.87599095987377 16195967 CC1=CC(=C(N1C2=CC=CC=C2F)C)/C(=C(/C(=S)NC3=CC(=CC=C3)OC)\[N+]4=CC=C(C=C4)N(C)C)/[O-] 1 5.617 4 2 -6.04820258194893 16195966 C1CCC(=NCC1)NNC2=NC(=CS2)C3=CC=C(C=C3)OC(F)F.Br Br- 1 3.513 4 1 3.15625892190397 16195964 C1CN(CCN1CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-].Cl Cl- 1 2.037 5 4 0 -6.93560486290843 16195963 CN=C1N(C(=CS1)C2=CC=CC=C2F)N/C=C\3/C=CC=N3 1 1.556 4 0 0 -3.38874792840279 16195962 CCN1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)OC(F)F)/C#N.Cl Cl- 1 2.662 3 2 -7.86664630263375 16195961 C1COCCN1CCCNC(=O)/C=C/C2=CC=C(O2)Br.Cl Cl- 1 1.357 2 3 0 -10.8173480306243 16195959 COC1=CC=C(C=C1)N2C3=[N+](C=C2C4=CC=C(C=C4)Cl)C5=CC=CC=C5CC3.[Br-] Br- 1 6.693 2 1 4.81390704149418 16195958 CC1(CC(=CC(=[N+]2CCCC2)C1)NN(C)C)C.[I-] I- 1 1.315 3 0 0 -6.64879942786281 16195957 CN(C)CC1CCCCC1OC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 5.117 1 2 2.91753925451265 16195956 CC1=C2CC(CCC2=NC3=CC=CC=C13)C(C)(C)C.Cl Cl- 1 5.188 1 0 -1.238275885281 16195955 CC1=CC(=NC(=N1)NNC2=CC(=[N+]3CCCCC3)CC(C2)(C)C)C.[I-] I- 1 2.326 5 0 -7.30484428138401 16195954 CC1=CC(=NC(=N1)NNC2=CC(=[N+]3CCCC3)CCC2)C.[I-] I- 1 1.412 5 0 0 -3.6860645989605 16195953 C1CCC2=[N+](CC1)C3=C(N2CC(=O)NC4=CC=C(C=C4)Br)C=C(C=C3)C(F)(F)F.[Cl-] Cl- 1 5.743 3 1 -0.946427203808781 16195952 CNCC(=O)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl.Cl Cl- 1 1.674 4 1 0 -1.50201739761149 16195951 CN(C)CCCNC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2.Cl Cl- 1 2.799 2 2 -5.41109498955879 16195950 CCC(C)NC(=O)CSC1=NN/C(=C\2/C=NC3=CC=CC=C32)/O1 1 2.866 4 2 -20.3400244866078 16195949 CCN1CCN(CC1)CC(COC2=CC3=C(C=C2)C(=CC(=O)O3)C)O.Cl Cl- 1 2.263 2 4 -8.08741901603257 16195945 CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C\NC4=CC=NN4CC5=CC=NC=C5)/C2=O 1 3.266 5 3 0 -18.3011292933613 16195944 CC1=CN=C(S1)NC(=O)[C@H](C)N2C(=O)C3CCCCC3C2=O 1 1.142 3 3 0 -10.4759482776026 16195943 C1CN(CCN1CC(COC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4.Cl Cl- 1 2.839 2 4 -1.92771915869142 16195942 CC(C)[C@@H](C(=O)OCC(=O)N1CCN(CC1)C(=O)C2=CC=CO2)NC(=O)C3=CC=CC=C3 1 1.614 3 6 0 -23.6983963907098 16195941 CC1(CC(=O)/C(=C\NC2=CC3=CC=CC=C3C=C2)/C(=O)C1C(=O)OC)C 1 2.763 1 4 -5.98074528178807 16195940 CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N3CCOCC3.Cl Cl- 1 3.956 3 2 -8.98426802649392 16195939 CC1CCCCN1CC(COCCC23CC4CC(C2)CC(C4)C3)O.Cl Cl- 1 3.769 1 2 4.51520967353058e-003 16195938 CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)C[N+]3(CCOCC3)C.[Cl-] Cl- 1 1.824 2 2 0 -7.27343482258563 16195937 CC(C)[C@@H](C(=O)OCC(=O)NC(=O)NC(C)(C)C)NC(=O)C1=CC(=CC(=C1)OC)OC 1 1.81 3 7 0 -28.8277966823877 16195936 C1=CC=C(C=C1)CN2C=CC=CC2=N.Cl Cl- 1 1.52 2 0 0 -2.09455643741168 16195934 C1CN(CCN1CC2=CC=CC=C2)C3=NC=C(C=C3)[N+](=O)[O-].Cl Cl- 1 2.195 4 2 3.02733107348958 16195933 C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CC(=O)NC3=CC=C(C=C3)C(F)(F)F.[Cl-] Cl- 1 4.417 2 2 -4.67534048619513 16195932 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)C[N+]3=CC=CC(=C3)C(=O)N)C)C.[Cl-] Cl- 1 2.678 3 2 3.86904138494786 16195931 CC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC=CC=C2.[Cl-] Cl- 1 2.43 1 2 -1.99869602642108 16195930 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)N/C(=C(/C(=S)NC2=CC(=CC(=C2)C)C)\[N+]3=CC=CC=C3)/[O-] 1 5.571 4 4 0 -15.5218406834238 16195929 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)C[N+]3=CC4=CC=CC=C4C=C3)C)C.[Cl-] Cl- 1 4.584 2 1 12.1607491348649 16195928 CCCCN1C(=O)C(=O)N(C1=O)CC(=O)NC2CCCC3=CC=CC=C23 1 2.317 3 4 0 -11.4889526041102 16195927 C1=CC=[N+](C=C1)/C(=C(\C2=C(C=CC(=C2)Cl)Cl)/[O-])/C(=S)NC3=CC=C(C=C3)SC(F)F 1 6.791 2 1 -0.69725084936552 16195926 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3.[Cl-] Cl- 1 4.667 2 3 -15.8701001604693 16195925 CC1=C(C=C(C=C1)SCCN)C.Cl Cl- 1 2.515 1 0 -0.258656933453698 16195924 COCCN1C(=CSC1=NC2=CN=CC=C2)C3=CC=CC=C3.Br Br- 1 2.306 3 1 -1.13964281080865 16195923 COC1=C(C=C(C=C1)C2(CN(C3=[N+]2CCS3)C4=CC=CC=C4)O)OC.[Br-] Br- 1 3.547 2 3 -9.52418813160294 16195922 CCC(CC)NC(=O)CSC1=NN/C(=C\2/C=NC3=CC=CC=C32)/O1 1 3.39 4 2 -15.5451446877698 16195921 COCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC4=C(S3)CCC4 1 2.064 4 4 0 -10.7879000808325 16195919 C1=CC(=C(C=C1Cl)Cl)CNC(=O)CN2C=CSC2=N.Cl Cl- 1 2.028 3 1 -15.4844415349542 16195918 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C\NCC(C4=CC=CO4)N5CCCC5)/C2=O)OC 1 3.339 3 5 0 -17.6461374393366 16195917 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CC2CC3CCC2C3)N 1 0.625 3 5 0 -10.9890295317791 16195915 CCC1=CC=C(C=C1)/C(=C(/C(=S)NCCN2CCOCC2)\[N+]3=CC=CC=C3)/[O-] 1 3.012 3 2 -6.24496653176871 16195914 C1=CC=C(C=C1)CCC2C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Br 1 3.873 2 2 -1.21739598829463 16195913 C1CCC2=[N+](CC1)C3=C(N2CC4=CC=CC=C4)C=C(C=C3)C(F)(F)F.[Cl-] Cl- 1 5.942 2 0 1.63144709864319 16195911 CC1=CC=CC=C1NC2=[N+](C(=CS2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4C.[Br-] Br- 1 7.197 2 0 0.163840795696009 16195910 C1CCC2=[N+](CC1)C3=C(N2CC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=C(C=C3)C(F)(F)F.[Br-] Br- 1 5.509 3 3 -2.67984178855509 16195909 COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC4=C(C=C3)OCO4)O.Cl Cl- 1 2.822 2 5 0 -3.78933713853233 16195908 CC1(CC2=C(O1)C(=CC=C2)OCC(CNCC3=CC=C(C=C3)OC)O)C.Cl Cl- 1 3.113 1 4 -5.77511477665953 16195906 CN1CCCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)SC.Cl Cl- 1 2.273 2 1 -0.344156770828036 16195905 C1=CC=C(C=C1)C2=CC=C(C=C2)/C(=C(/C(=S)NC3=CC=CC=C3F)\[N+]4=CC=CC=C4)/[O-] 1 5.822 2 1 0.238278134422649 16195904 CC1=CC=CC=C1NC2=[N+](C(=CS2)C3=CC=C(C=C3)Br)C4=CC=CC=C4C.[Br-] Br- 1 7.281 2 0 -1.29281894940543 16195903 C\1C/C(=C/2\NCCN2C3CC(=O)N(C3=O)C4=CC=CC=C4)/C(=O)/C1=C/C5=CC=CC=C5 1 3.43 3 3 -5.89296251322669 16195902 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)F)F.Cl Cl- 1 3.07 3 2 -8.50817826298389 16195901 CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CCN)OC.Cl Cl- 1 3.41 2 6 0 -12.2526498795738 16195900 CC1CCCC(C1C)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CO2 1 2.956 2 5 0 -22.6205145985789 16195899 CC1=CSC(=N1)NC2=CC=CC3=CC=CC=C32.Br Br- 1 2.931 2 0 3.7292167010752 16195898 C1=CC=[N+](C=C1)CC(=O)NN=CC2=CC=CS2.[Cl-] Cl- 1 2.093 3 1 -8.42621247690017 16195897 CC1=CC=C(C=C1)NC2=[N+](C(=CS2)C)CC=C.[Br-] Br- 1 3.422 2 0 -4.68712893681396 16195896 CCOC1=C(C=C(C=C1)N)OC.Cl Cl- 1 1.399 1 2 0 -2.6741911958209 16195894 CCSC1=NN=C(S1)NC(=O)[C@H](C)N2C(=O)C3CC=CCC3C2=O 1 1.461 4 3 0 -18.9881719027184 16195893 CCSC1=NN=C(S1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.875 4 4 0 -28.5601449448318 16195892 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)O)C2CC2)CCCO 1 1.51 0 5 0 -4.83543161647469 16195891 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)C#C)CCCO 1 4.658 2 4 1.31552318460639 16195890 C1CC1[C@@H]2C[C@@H](OC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)OCCCCO 1 2.454 2 4 -1.74586695891053 16195889 CN1CCN(CC1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)OC(F)F)C4=CC=CC=C4.Cl Cl- 1 3.688 5 2 0 8.35710548076444 16195887 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)CCCO 1 3.531 2 4 -2.16090979115577 16195886 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=COC5=CC=CC=C5C4=O)CCCO 1 3.049 2 6 0 -2.63771665541831 16195885 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCCCCCC2)C3CCCCC3)CCCO 1 4.492 1 4 -8.28698823827468 16195884 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCCCCCC2)C3=CSC4=CC=CC=C43)CCCO 1 4.681 1 4 -5.95935472271951 16195883 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C[C@H](C[C@H](O3)OCC4=CC=C(C=C4)CO)C5=CSC6=CC=CC=C65 1 4.887 2 4 -0.867693494224876 16195882 CC(=O)N1C=C(C2=CC=CC=C21)[C@H]3C[C@H](OC(=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)OCC6=CC=C(C=C6)CO 1 4.309 3 5 0 0.964104266216279 16195881 C=CCOC(=O)C1=C[C@H](C[C@H](O1)OCC2=CC=C(C=C2)CO)C3=CC=C(C=C3)Br 1 4.291 0 5 -5.08935723951389 16195880 C1CC1NC(=O)C2=C[C@@H](C[C@@H](O2)OCC3=CC=C(C=C3)CO)C4=CC=C(C=C4)C(F)(F)F 1 3.711 1 4 -0.755368390414998 16195879 C1=CC(=C(C=C1Cl)NC(=O)CN2C=CSC2=N)[N+](=O)[O-].Cl Cl- 1 1.252 4 3 0 -11.7194907980125 16195878 C1[C@H](C=C(O[C@H]1OCCCCO)C(=O)O)C2=CSC3=CC=CC=C32 1 2.686 0 5 -1.16022589665689 16195877 C1CCC(CC1)[C@H]2C[C@H](OC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)OCC5=CC=C(C=C5)CO 1 4.698 2 4 -2.14477540825233 16195876 C[C@H]1C[C@H](OC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)OCC4=CC=C(C=C4)CO 1 2.993 2 4 -2.96478323932256 16195875 C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 2.38 2 3 -11.0249979903697 16195874 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C[C@@H](C[C@@H](O3)OCCCCO)C4=CSC5=CC=CC=C54 1 4.011 2 4 -0.858190543240069 16195873 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C[C@@H](C[C@@H](O3)OCCCCO)C4=CC5=C(C=C4)OCO5 1 2.918 2 6 0 -2.86279375210095 16195872 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCOCC2)C)CCCO 1 0.645 1 5 0 -10.4567017886261 16195871 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CN(C5=CC=CC=C54)C(=O)C)CCCO 1 3.814 3 5 0 -0.463002159115297 16195870 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCOCC2)C)CCCO 1 0.645 1 5 0 -10.4567017886261 16195869 C1COCCN1C(=O)C2=C[C@H](C[C@H](O2)OCCCCO)C3=CC=C(C=C3)Br 1 2.045 1 5 -5.01484057299657 16195868 C1COCCN1C(=O)C2=C[C@H](C[C@H](O2)OCCCCO)C3=CC=C(C=C3)C(F)(F)F 1 2.239 1 5 -1.78441263114966 16195867 CC1=CC(=CC(=C1)N(CC(=O)NC2=CC=CC=C2)C3=NC4CS(=O)(=O)CC4S3)C 1 3.519 3 3 -12.0193332126673 16195866 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)O)C2=CSC3=CC=CC=C32)CCCO 1 3.068 0 5 -2.59683527297327 16195865 C=CCOC(=O)C(=O)/C=C/C1=COC2=CC=CC=C2C1=O 1 2.164 0 5 -5.55906646599598 16195864 CC(C)(C)[C@@H]1C[C@@H](OC(=C1)C(=O)N2CCOCC2)OCC3=CC=C(C=C3)CO 1 2.054 1 5 -8.56322840173607 16195863 CC1=CC(=C(C=C1)NC(=O)CN2C=CSC2=N)[N+](=O)[O-].Cl Cl- 1 1.073 4 3 0 -14.2398291784716 16195862 C=CCOC(=O)C1=C[C@H](C[C@H](O1)OCC2=CC=C(C=C2)CO)C3CCCCC3 1 4.216 0 5 -7.61105337373588 16195861 CC1=CN=C(S1)NC(=O)CCN2C(=O)C3CCCCC3C2=O 1 0.906 3 3 0 -11.4252163089864 16195860 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C[C@@H](C[C@@H](O3)OCCCCO)C4=CC=C(C=C4)C(F)(F)F 1 4.092 2 4 3.61685161880139 16195859 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCCCCCC2)C3CCCCC3)CCCO 1 4.492 1 4 -8.28698823827468 16195858 C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CN3C=CSC3=N.Cl Cl- 1 2.811 3 1 -13.1417407777657 16195857 CCOC1=CC=C(C=C1)N(CC2=CC=CC=C2F)C3=NC4CS(=O)(=O)CC4S3 1 4.032 2 3 -5.27819132515169 16195856 CC1C(=O)N/C(=C\C(=O)OC)/S1 1 0.622 1 3 0 -7.97399495442638 16195855 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C[C@H](C[C@H](O3)OCC4=CC=C(C=C4)CO)C5=COC6=CC=CC=C6C5=O 1 3.544 2 6 0 -1.21061023008673 16195854 CC(=O)N1C=C(C2=CC=CC=C21)[C@@H]3C[C@@H](OC(=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)OCC6=CC=C(C=C6)CO 1 4.309 3 5 0 0.964104266216279 16195853 C1CC1[C@@H]2C[C@@H](OC(=C2)C(=O)O)OCCCCO 1 1.129 0 5 0 -2.29174922635784 16195852 C1[C@@H](C=C(O[C@@H]1OCC2=CC=C(C=C2)CO)C(=O)O)C3=CC=C(C=C3)Br 1 3.449 0 5 4.16449290369855e-002 16195851 C=CCOC(=O)C1=C[C@H](C[C@H](O1)OCC2=CC=C(C=C2)CO)C3=CSC4=CC=CC=C43 1 4.405 0 5 -6.16555846269603 16195850 C1=CC(=CC=C1C=NNC(=O)COC2=C(C=C(C=C2)Cl)Cl)OC3C(C(C(C(O3)CO)O)O)O 1 1.675 2 8 0 -17.5511026438292 16195849 C1CC1[C@@H]2C[C@@H](OC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)OCC5=CC=C(C=C5)CO 1 3.33 2 4 -1.75536990989534 16195848 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)C2=CC=C(C=C2)C(F)(F)F)CCCO 1 3.148 0 5 1.70979389205579 16195847 C1[C@H](C=C(O[C@H]1OCCCCO)C(=O)O)C2=CC=C(C=C2)Br 1 2.573 0 5 -8.4024673474747e-002 16195846 C#CC1=CC=C(C=C1)[C@H]2C[C@H](OC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)OCCCCO 1 4.277 2 4 2.75213256092277 16195845 C1CC1[C@H]2C[C@H](OC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)OCCCCO 1 2.454 2 4 -1.74586695891053 16195844 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)C2CCCCC2)CCCO 1 2.879 0 5 -5.22483711483168 16195843 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)OCC=C)C2CC2)CCCO 1 2.352 0 5 -9.96643378502556 16195842 C=CCOC(=O)C(=O)/C=C/C1=CC2=C(C=C1)C3=CC=CC=C3C2 1 4.309 0 3 -1.38928974580951 16195841 CN1C=C(C=C1/C=C(/C=NOC)\C#N)C(=O)C2=CC=C(C=C2)F 1 3.095 3 2 -3.49437384299325 16195840 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)OCC=C)C2=CC=C(C=C2)C(F)(F)F)CCCO 1 3.99 0 5 -3.42120827649509 16195839 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C[C@H](C[C@H](O3)OCC4=CC=C(C=C4)CO)C5=CC=C(C=C5)C(F)(F)F 1 4.968 2 4 3.60734866781658 16195838 C=CCOC(=O)C1=C[C@H](C[C@H](O1)OCC2=CC=C(C=C2)CO)C3=CC=C(C=C3)C#C 1 4.67 0 5 -2.72364835554559 16195837 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)OCC=C)C2=CC=C(C=C2)C#C)CCCO 1 4.175 0 5 -4.28592733437371 16195836 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)OCC=C)C2=CC=C(C=C2)Br)CCCO 1 3.797 0 5 -6.651636218342 16195835 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)C2=CSC3=CC=CC=C32)CCCO 1 3.068 0 5 -2.59683527297327 16195834 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C[C@@H](C[C@@H](O3)OCCCCO)C4=CC=C(C=C4)Br 1 3.898 2 4 0.386423676954474 16195833 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)OCC=C)C2=CSC3=CC=CC=C32)CCCO 1 3.91 0 5 -7.72783744152414 16195832 CC(C)(C)[C@H]1C[C@H](OC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)OCCCCO 1 3.031 2 4 -3.28763375429675 16195830 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3.115 1 5 -1.65874302863793 16195811 CC(C)(C)[C@@H]1C[C@@H](OC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)OCC4=CC=C(C=C4)CO 1 3.907 2 4 -3.29713670528155 16195810 C1CC1[C@@H]2C[C@@H](OC(=C2)C(=O)N3CCOCC3)OCCCCO 1 0.601 1 5 0 -7.22256512587966 16195809 C[C@H]1C[C@H](OC(=C1)C(=O)N2CCOCC2)OCC3=CC=C(C=C3)CO 1 1.14 1 5 0 -8.23087493577707 16195808 C1[C@H](C=C(O[C@H]1OCC2=CC=C(C=C2)CO)C(=O)O)C3=CC=C(C=C3)C(F)(F)F 1 3.643 0 5 3.2720728708839 16195807 C1CC1[C@H]2C[C@H](OC(=C2)C(=O)O)OCC3=CC=C(C=C3)CO 1 2.005 0 5 -2.09064570682802 16195806 C1[C@@H](C=C(O[C@@H]1OCCCCO)C(=O)O)C2=CSC3=CC=CC=C32 1 2.686 0 5 -1.16022589665689 16195805 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)C)CCCO 1 1.174 0 5 0 -5.52588588910429 16195804 C1CCC(CC1)[C@H]2C[C@H](OC(=C2)C(=O)O)OCCCCO 1 2.497 0 5 -2.68115472471482 16195803 C#CC1=CC=C(C=C1)[C@@H]2C[C@@H](OC(=C2)C(=O)O)OCC3=CC=C(C=C3)CO 1 3.828 0 5 2.40735381300528 16195802 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)O)C2=CC=C(C=C2)C(F)(F)F)CCCO 1 3.148 0 5 1.70979389205579 16195801 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-7.41086710470684 16195791 C1CCC(CC1)[C@@H]2C[C@@H](OC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)OCC5=CC=C(C=C5)CO 1 4.698 2 4 -2.14477540825233 16195790 CC(C)(C)[C@@H]1C[C@@H](OC(=C1)C(=O)N2CCOCC2)OCCCCO 1 1.178 1 5 0 -8.76433192126588 16195789 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCOCC2)C3=CSC4=CC=CC=C43)CCCO 1 2.539 1 5 -7.5276511724951 16195788 C1CCCN(CCC1)C(=O)C2=C[C@@H](C[C@@H](O2)OCC3=CC=C(C=C3)CO)C4=CSC5=CC=CC=C54 1 5.176 1 4 -4.39707574389139 16195787 C1CCCN(CCC1)C(=O)C2=C[C@@H](C[C@@H](O2)OCC3=CC=C(C=C3)CO)C4=CC=C(C=C4)C(F)(F)F 1 5.257 1 4 -9.0446578862338e-002 16195786 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=COC5=CC=CC=C5C4=O)CCCO 1 3.049 2 6 0 -2.63771665541831 16195785 CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)C[N+]34CCN(CC3)CC4.[Cl-] Cl- 1 1.912 3 1 0 -4.9720332420268 16195784 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCOCC2)C3CC3)CCCO 1 0.982 1 5 0 -9.76624751599652 16195783 CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCCCCCC2)C3=CC=C(C=C3)C(F)(F)F)CCCO 1 4.762 1 4 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CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCOCC2)C3=CC=C(C=C3)C(F)(F)F)CCCO 1 2.62 1 5 -3.22102200746604 16195772 C1CC1[C@H]2C[C@H](OC(=C2)C(=O)N3CCOCC3)OCCCCO 1 0.601 1 5 0 -7.22256512587966 16195771 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCOCC2)C3CC3)CCCO 1 0.982 1 5 0 -9.76624751599652 16195770 CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)[N+]23CCN(CC2)CC3.[Cl-] Cl- 1 0.353 3 3 0 -8.98070379469917 16195769 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCC2=CC=CO2)C 1 2.024 2 4 -15.1646306248108 16195768 CCC1=CC=[N+](C=C1)CC(=O)NC2=C(C=C(C=C2)Cl)Cl.[Cl-] Cl- 1 4.342 2 1 -3.96840466842637 16195767 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCOCC2)C3=CC=C(C=C3)C(F)(F)F)CCCO 1 2.62 1 5 -3.22102200746604 16195766 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCCCCCC2)C3=CC=C(C=C3)C(F)(F)F)CCCO 1 4.762 1 4 -1.65272555769045 16195765 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCOCC2)C3=CC=C(C=C3)C#C)CCCO 1 2.805 1 5 -4.08574106534466 16195764 C1[C@@H](C=C(O[C@@H]1OCC2=CC=C(C=C2)CO)C(=O)O)C3=CSC4=CC=CC=C43 1 3.562 0 5 -1.03455629414515 16195763 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCCCCCC2)C3=CSC4=CC=CC=C43)CCCO 1 4.681 1 4 -5.95935472271951 16195762 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C[C@@H](C[C@@H](O3)OCC4=CC=C(C=C4)CO)C5=CSC6=CC=CC=C65 1 4.887 2 4 -0.867693494224876 16195761 C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NC4=CC=C(C=C4)C(=O)O.Cl Cl- 1 2.939 4 2 3.32795315516113 16195760 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)OCC=C)C2=CC=C(C=C2)C#C)CCCO 1 4.175 0 5 -4.28592733437371 16195759 C1CCC(CC1)[C@H]2C[C@H](OC(=C2)C(=O)N3CCOCC3)OCCCCO 1 1.969 1 5 0 -7.61197062423665 16195758 CCC1=C(C(=CC=C1)CC)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Cl-] Cl- 1 2.957 3 2 -9.83420597787517 16195757 C#CC1=CC=C(C=C1)[C@H]2C[C@H](OC(=C2)C(=O)O)OCC3=CC=C(C=C3)CO 1 3.828 0 5 2.40735381300528 16195756 C1CCC(CC1)[C@H]2C[C@H](OC(=C2)C(=O)O)OCC3=CC=C(C=C3)CO 1 3.373 0 5 -2.48005120518501 16195755 C1[C@@H](C=C(O[C@@H]1OCC2=CC=C(C=C2)CO)C(=O)O)C3=CC=C(C=C3)C(F)(F)F 1 3.643 0 5 3.2720728708839 16195754 CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)C2=CC=C(C=C2)Br)CCCO 1 2.954 0 5 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1.376 7 4 0 -20.5266581116062 16195638 CN1C2=C(C(=NC(=N2)C3CCCCC3)SCC(=O)N4CCOCC4)C(=O)N(C1=O)C 1 1.853 5 4 0 -20.6572775619655 16195637 CC1=CC(=NO1)NC(=O)CN2C=NC3=C(C2=O)N=NN3C4=CC=C(C=C4)OC 1 1.027 7 4 0 -19.7604349598982 16195636 C1=CC(=CC(=C1)F)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)F 1 2.322 6 2 0 -13.2411463037377 16195635 C/C=C(\C)/C(=O)NCCN1[C@H](CN2C1=NC[C@@H]2C)CC3=CC=C(C=C3)OC 1 2.712 4 2 -11.7870309603768 16195634 C/C=C(\C)/C(=O)NCCN1[C@@H](CN2C1=NC[C@@H]2C(C)C)CC3=CC=C(C=C3)O 1 3.329 4 2 -6.46445478085282 16195633 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)NCC4=CC=CO4 1 1.765 4 5 0 -28.0076864398775 16195632 CC1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)N=NN3C4=CC(=CC=C4)OC 1 2.374 6 3 0 -12.5140096284494 16195631 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(S3)NC(=O)C4=CC=CO4 1 1.978 4 5 0 -24.3463626458084 16195630 CC1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NNC3=NC(=O)CS3 1 1.913 5 3 0 -14.0224611775522 16195629 C[C@H]1CN=C2N1C[C@H](N2CCNC(=O)C3=CC(=C(C=C3)C)Br)CC4=CC=C(C=C4)O 1 3.839 4 2 -7.0577857781549 16195628 CC1=C(C=C(C=C1)C(=O)NCCN2[C@H](CN3C2=NC[C@@H]3C(C)C)CC4=CC=C(C=C4)OC)Br 1 4.908 4 2 -6.32089023919747 16195626 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C.Cl Cl- 1 2.532 4 5 0 -11.8362491677459 16195625 C/C=C(\C)/C(=O)NCCN1[C@@H](CN2C1=NC[C@H]2CC3=CC=CC=C3)CC4=CC=C(C=C4)O 1 4.042 4 2 -8.23263080514837 16195624 COC1=CC=C(C=C1)C[C@H]2CN3[C@H](CN=C3N2CCNC(=O)CCC4CCCCC4)CC5=CC=CC=C5 1 5.55 4 2 -16.1691627329542 16195623 C1=CC2=NC(=CN2C=C1)CNS(=O)(=O)C3=CC=CS3 1 1.066 3 2 0 -10.0136298169838 16195622 C1CCC(CC1)[C@H]2CN=C3N2C[C@@H](N3CCC4=CC(=C(C=C4)Cl)Cl)CCCNC(=O)C5CCC5 1 6.207 4 1 -7.71648833006377 16195621 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=C(C=C3)F)C)CC(=O)NC4=C(C(=CC(=C4F)F)F)F 1 3.897 4 2 -9.35962558947702 16195620 C1=CC(=CC(=C1)F)NC(=O)CSC2=C(SC=C2)[N+](=O)[O-] 1 2.894 2 3 -8.29697300257149 16195618 CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NC3=C(C=CC(=C3)Cl)C)C4CCNCC4)C.Cl Cl- 1 5.2 4 1 -4.40964644946881 16195617 C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C4=CC=CC=C4O/C(=C/C5=CC(=CC=C5)Cl)/C3=O 1 3.67 4 3 0 -1.63266157954652 16195616 COC1=C(C=C(C=C1)CCNC(=O)CN2C3=C(C(=O)N(C2=O)CCCC(=O)NCC4=CC=CO4)SC=C3)OC 1 2.256 4 7 0 -29.9134452305861 16195615 COC1=CC(=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4)SC=C3)OC 1 3.11 3 5 0 -16.3119414015479 16195614 COC1=C(C=C(C=C1)CCNC(=O)CN2C3=C(C(=O)N(C2=O)C4=C(C=CC(=C4)F)F)SC=C3)OC 1 3.849 3 5 0 -18.4597212806801 16195613 CCOC1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NC4=CC(=CC=C4)OC 1 3.458 3 5 0 -12.7370020922515 16195612 CCOC1=CC=CC=C1NC(=S)N(CCN(C)C)C2CCN(CC2)C(=O)OCC 1 3.881 4 3 0 -13.5289824940192 16195611 CCOC1=CC=C(C=C1)NC(=S)N(CCN(C)C)C2CCN(CC2)C(=O)OCC 1 3.881 4 3 0 -11.2530786724286 16195610 C1CC(=O)N(N=C1C2=CC=CC=C2)CC(=O)NCC3=CC=CS3 1 1.638 3 2 0 -16.9931127974937 16195609 C1=CC=C2C(=C1)C(=O)/C(=C\NC3=CC=C(C=C3)S(=O)(=O)N)/C(=O)O2 1 1.31 2 5 0 -8.87230045952637 16195608 CCOC(=O)C1=CN(N=N1)CC(=O)NC2=CC(=CC=C2)Cl 1 1.946 4 3 0 -14.7448273127504 16195607 CCCNC1=C(N=C(S1)S(=O)(=O)CCC)S(=O)(=O)C2=CC=C(C=C2)C 1 4.159 2 4 -17.0544947278123 16195606 COC1=CC=CC=C1/C=C/C(=O)NCC(=O)NN=C(CCC(=O)O)C2=CC=CC=C2 1 2.02 3 5 0 -16.4286093606384 16195605 CCC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CS3 1 3.886 1 4 -15.9961074297523 16195604 C1=CC=C2C(=C1)N/C(=C(/C=C\3/C=CC(=O)C(=C3)[N+](=O)[O-])\C#N)/S2 1 3.118 3 3 -4.18624226715874 16195603 C1CN(C2=CC=CC=C21)C3=C(C=C(C=C3)C(=O)NN)[N+](=O)[O-] 1 2.065 4 3 0 -9.71364163624643 16195602 C1=CC=C(C(=C1)NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)CC(=O)NCC5=CC=CO5)SC=C3)F 1 3.356 4 5 0 -22.4507545473947 16195601 C1CCN(C1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl 1 2.726 3 3 -6.30248548384827 16195600 C1CCC(CC1)SC2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O 1 2.784 2 4 -3.17760677900388 16195599 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br)OC 1 4.241 1 6 0 -15.8829069295327 16195598 CC1=C(N=C(O1)C2=CC=CS2)CS(=O)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.814 2 5 0 0.34102563584464 16195597 CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5)S(=O)C6=CC=CC=C6C2=O 1 4.985 4 3 0 -2.16289443857143 16195596 CCN(CC)C(=O)CN1C2=C(C(=O)N(C1=O)CCCC(=O)NCC3=CC=CC=C3)SC=C2 1 2.105 4 4 0 -27.8432762307315 16195595 C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NC3=CC=C(C=C3)C(=O)O)\NC(=O)C4=CC(=CC=C4)Br 1 3.717 2 6 0 -17.6731528589745 16195594 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCCN(C)CC4=CC=CC=C4)C5=CC=CC=N5 1 4.457 5 3 0 -20.1571017037385 16195593 CC1=CC2=C(C(=C1N)[N+](=O)[O-])N=C3C(=N2)C(=O)NC(=O)N3 1 0.63 6 4 0 -4.42155603110014 16195592 CC(C)S(=O)(=O)C1=NSC2=NC(=O)C(=C(N21)N)/C=C/3\C=NC4=CC=CC=C43 1 2.758 5 3 0 -9.24196733098934 16195591 CC1=CC\2=C(C=C1)N=C(/C2=C\C3=C(N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)N)C 1 3.322 5 3 0 -9.84085689182085 16195590 CCN1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)/C=C\3/C(=O)N(C4=CC=CC=C4S3)CC5=CC=CC=C5F 1 4.723 4 2 -7.40135794260884 16195589 COC1=CC=CC(=C1)N2C(=O)/C(=C\C3=CC=CS3)/NC2=S 1 3.549 2 2 -2.35842992386219 16195588 CS(=O)(=O)C1=NSC2=NC(=O)C(=C(N21)N)/C=C/3\C=NC4=CC=CC=C43 1 2.031 5 3 0 -7.66049429618996 16195587 CN1C2=CC=CC=C2O/C(=C\C3=CC=C(C=C3)C(=O)NC4CCCC4)/C1=O 1 3.333 2 3 -6.16541342825611 16195586 CCOC1=CC=C(C=C1)/C=C/C2=CC(NC(=S)N2)(C)C 1 3.542 2 1 -1.62061731927277 16195585 CC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C(=O)O 1 4.077 1 3 -5.25685990799837 16195584 C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3)C6=CC=CC=C6 1 5.35 6 1 0 -4.32439029619679 16195583 C1=CC=C(C=C1)C(=O)NC2=C[N+](=CC=C2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Br-] Br- 1 3.369 3 4 0 -5.09899163228135 16195582 C1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4N5C3=NN=C5 1 3.771 6 0 4.54594076239265 16195581 CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N4C2=NN=C4 1 1.53 6 2 0 2.2219637804901 16195580 CC1=CC=C(C=C1)CN=C2C(=NN(N2O)C3=CC(=CC=C3)Cl)[N+](=O)[O-] 1 3.783 5 3 0 4.16545530416189 16195579 COC(CNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CC=CS2)OC 1 3.098 3 3 -21.2256290546871 16195578 C1=CC=C(C=C1)C(=NNC(=O)CNC(=O)C2=CC(=CC=C2)Cl)CCC(=O)O 1 2.233 3 4 0 -13.6925908933306 16195577 COC1=C(C=C(C=C1)CCN2C(=O)C3=C(N=CC=C3)N(C2=O)CC4=CC=C(C=C4)[N+](=O)[O-])OC 1 3.714 4 6 0 -7.70076073205828 16195576 COC1=C(C=C(C=C1)CCN2C(=O)C3=C(N=CC=C3)N(C2=O)CC4=CC(=CC=C4)[N+](=O)[O-])OC 1 3.714 4 6 0 -8.9456403549382 16195575 CCN(CC)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NC4=CC=C(C=C4)F.Cl Cl- 1 5.068 4 2 -14.7420303155507 16195574 CC1CCN(CC1)CCCN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S.Cl Cl- 1 4.665 3 1 -4.81920737196123 16195573 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCC3=CC=CO3)OCC 1 2.88 3 5 0 -20.1669059046084 16195572 C1CCC2=CN(N=C2CC1)CC(=O)NC3=CC=CC=C3Br 1 3.841 3 1 -8.52415597346291 16195571 COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3CCC(CC3)CNS(=O)(=O)C4=CC=CC=C4)OC)OC 1 3.39 3 6 0 -13.453316133379 16195570 C1=C/C(=C\NNC2=C(C(=O)NN=C2)Cl)/C(=CC1=O)O 1 -1.342 4 3 0 -4.95341564117515 16195569 CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=C(C=CC(=C2)Cl)C 1 4.699 4 2 -9.21956066566571 16195568 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCC4=CC(=CC=C4)OC 1 2.914 3 4 0 -14.0982120554228 16195567 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCCCC4=CC=CC=C4 1 3.708 3 3 -15.9645334265863 16195564 C1=CC(=C(C=C1F)NC(=O)CSC2=C(SC=C2)[N+](=O)[O-])F 1 3.1 2 3 -9.58122332689908 16195563 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(SC=C2)[N+](=O)[O-] 1 2.429 2 4 -13.8026611989986 16195562 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)N6CCOCC6)NC4=S 1 5.591 5 3 0 -5.38243522106088 16195561 CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)NC4=CC=C(C=C4)Cl 1 3.15 4 2 -3.27128289610912 16195560 CC1=CC=CC=C1CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)NCC5=CC=CO5 1 3.744 4 3 0 -16.2866448466773 16195559 C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)NCC5=CC=CO5 1 3.258 4 3 0 -15.3970043163351 16195558 C1CC(CCC1CNC2=C(C(=O)C2=O)N3CCOCC3)C(=O)NCC4=CC=C(C=C4)F 1 1.654 3 4 0 -13.075409799482 16195556 C1=CC(=CC(=C1)Br)/C=C(/C(=O)NC2=CC=C(C=C2)C(=O)O)\NC(=O)C3=CC=CO3 1 3.344 2 5 0 -13.7283227978663 16195555 COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)C3=CC4=C(C=C3)C5=NC6=CC=CC=C6N5C(=S)N4 1 5.334 6 2 0 -4.30764031318629 16195554 C1=CC=C(C=C1)C2=C/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])/C(=O)N2C5=CC=C(C=C5)C(=O)O 1 5.414 2 6 0 -2.85437725654724 16195553 C1COCCN1C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)NCCC4=CC=C(C=C4)Cl 1 2.274 3 4 0 -7.72639056184675 16195552 C1CCC2=CN(N=C2CC1)CC(=O)NC3=C(C=C(C=C3Br)F)F 1 4.252 3 1 -5.81259992676165 16195551 CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 5.109 4 3 0 -8.70482894131757 16195550 CC1CCN(CC1)C(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3C 1 2.284 4 2 -9.65298500647937 16195549 C1CN(CCC1C(=O)N)C(=O)CSC2=C(SC=C2)[N+](=O)[O-] 1 0.792 3 4 0 -11.3199218698738 16195548 CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=CSC(=N3)NC(=O)CCC(=O)NCCCN4CCC(CC4)C 1 3.05 4 5 0 -16.0549095499929 16195547 COC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CN3C=N2 1 1.223 4 3 0 -13.1056084529753 16195546 C1COCCN1C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)F 1 1.494 3 4 0 -9.35616178585069 16195545 COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCCC4)Cl 1 2.703 3 4 0 -5.86220900984598 16195544 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CC(=O)NCCCN(CC)C4=CC=CC(=C4)C 1 3.704 5 3 0 -13.4014333063438 16195543 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C 1 3.249 3 3 -6.79026086060671 16195542 C1=CC=C(C(=C1)C(=O)NCC(=O)NN=CC2=CC=CC=N2)O 1 0.779 4 3 0 -7.79301898161237 16195541 CCC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCCC4 1 2.997 3 3 -4.313221523382 16195540 CC1CCN(CC1)CCCN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])NC2=S.Cl Cl- 1 4.559 4 3 0 -7.54058059563825 16195539 CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC(=C(C=C4)OC)Cl 1 6.147 4 2 -17.0147823238465 16195538 COC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=CC4=CC=CC=C4N3C=N2 1 2.422 4 3 0 -10.5575732571158 16195537 CC1=CC(=C(C=C1)N/C=C\2/C3=CC=CC=C3NC2=O)[N+](=O)[O-] 1 2.452 3 3 -6.88730935080595 16195536 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C/C(=C/4\C=CC=CC4=O)/ON3 1 4.5e-002 4 4 0 -17.010229455872 16195535 C1=C/C(=C/2\C=C(NO2)C(=O)NC3=CN=CC=C3)/C(=O)C=C1 1 -0.198 3 3 0 -7.07018820003853 16195534 CS(=O)(=O)N1CCN(CC1)/C(=N/[N+](=O)[O-])/N 1 0.639 5 4 0 -17.2209736448716 16195533 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CS3 1 2.95 4 2 -12.7607600816328 16195532 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)NCC4=CC=CO4)N(C(=O)C1=O)C 1 1.e-003 4 6 0 -18.7463037059209 16195531 CCOC1=C/C(=C/NNC2=NC(=CN=N2)C3=CC=CC=C3)/C=CC1=O 1 1.393 5 2 0 4.79481038502728 16195530 CCCNC(=O)CCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S 1 3.668 4 3 0 -15.4946719557381 16195529 C1=CC2=C(C(=C1)S(=O)(=O)NCC3=CC=C(C=C3)Cl)N=CC=C2 1 3.175 2 2 -4.53359135973905 16195528 C1=CC(=CC(=C1)O)C2=CC(=NO2)C(=O)NCCCN3C=CN=C3 1 1.292 4 3 0 -2.44072595797304 16195527 COC1=CC=CC=C1N2CCN(CC2)C(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O 1 3.77 3 4 0 -4.75178025462761 16195526 COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)N5CCC(CC5)C(=O)N 1 3.182 5 4 0 -5.92479184176919 16195525 COC1=C(C=C(C=C1)NC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC 1 2.266 2 5 0 -21.3523723647837 16195524 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=C(C=CC(=C3)OC)OC)C(=O)N(C1=O)C 1 0.739 4 7 0 -23.9210193342336 16195523 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=CC(=C(C=C3)OC)OC)C(=O)N(C1=O)C 1 0.739 4 7 0 -26.5898276577524 16195522 CC1=C2C=CC(=O)C=C2NC(=C1)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC 1 2.387 2 5 0 -8.54593761488756 16195521 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC4=NSN=C43 1 2.517 5 4 0 -13.2831474304174 16195520 CN(CC(=O)NC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4 1 0.797 3 6 0 -21.3158558715237 16195519 C1=CC(=CC(=C1)O)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-] 1 1.175 5 4 0 -9.83281518693901 16195518 C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=C(NC4=CC=CC=C43)C(=O)O 1 3.122 3 3 -5.86095693654936 16195517 CCOC1=C/C(=C/NNC(=O)C2=NNC(=C2)C3CC3)/C=CC1=O 1 0.819 4 3 0 -4.49379832431893 16195516 C1=CC(=CC(=C1)O)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.12 4 5 0 -9.56450685825699 16195515 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)NC4=CC=C(C=C4)C(=O)O 1 3.455 2 6 0 -17.792794450018 16195514 CN1C(=CC2=C1C3=CC=CC=C3NC2=O)C(=O)NCC4=CC=CC=C4OC 1 2.96 3 3 -12.7491309906088 16195513 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)NCC3=CC=CO3)C 1 1.314 3 5 0 -22.9019124586952 16195512 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=CC=CO4 1 1.078 3 5 0 -24.3075553006196 16195511 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=CC=CC=C4OC 1 1.88 3 5 0 -24.6812926662871 16195510 CC1=NC(=C(C(=C1)COC)C#N)NN=CC2=CC=C(O2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 4.566 5 4 0 -0.640082108202574 16195509 C1=CC(=CC=C1C(=O)NN=CC2=CC=NC=C2)NC(=O)C3=CC=C(C=C3)Cl 1 2.981 4 2 -5.11969618368329 16195508 COC1=C/C(=C/C(=C\2/NC3=CC=CC=C3S2)/C#N)/C=C(C1=O)[N+](=O)[O-] 1 2.806 3 4 0 -2.12484321825841 16195506 COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)SCC(=O)O)Cl 1 4.992 2 4 -8.90077739379699 16195505 C1=CC(=CC=C1CCNC(=O)CSC2=NC3=C(C(=O)N2CCCCC(=O)O)SC=C3)S(=O)(=O)N 1 2.366 4 6 0 -39.2390583363185 16195504 CCC(C)NC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4 1 6.6e-002 7 4 0 -29.9885982663227 16195503 CC1=CC=CC=C1NC(=S)NN=C2CC3(CCN(CC3)C(=O)C)OC4=C2C=C(C=C4)O 1 3.455 4 3 0 -14.4286219176265 16195502 C1=CC=C(C(=C1)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-])Cl 1 2.178 3 3 -0.556516907054926 16195501 CC1=CC=C(C=C1)NC(=S)NN=C2CC3(CCN(CC3)C(=O)C)OC4=C2C=C(C=C4)O 1 3.455 4 3 0 -12.8683689811033 16195500 C1=CC=C(C=C1)C2=CSC3=NC(=O)/C(=C\C4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)/C(=N)N23 1 4.395 3 4 0 -7.73995561513172 16195499 C1=CC=C(C(=C1)C2=CC=C(O2)C=NNC(=O)CN3C4=CC=CC=C4N=C3C5=NON=C5N)C(=O)O 1 3.041 7 5 0 -10.0354825397079 16195498 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)OC 1 2.936 4 5 0 -16.0178061961784 16195497 C1=CC=C2C(=C1)/C(=N/NC(=S)NC3=CC=CC=C3F)/C(=O)N2CC4=CC=C(C=C4)Cl 1 5.826 4 1 -2.5189177069777 16195496 CN1C2=C(C=N1)C(=NC=N2)NNC(=O)C3=CC=C(C=C3)O 1 0.567 6 2 0 -0.11650867106364 16195495 CC1=CC(=NN1CC(=O)NN/C=C/2\C=C(C=C(C2=O)[N+](=O)[O-])Br)C 1 0.131 5 4 0 -13.4299373732086 16195494 COC1=CC(=CC(=C1)C2=NN(C(=C2)N)S(=O)(=O)C3=CC=CC4=NSN=C43)OC 1 3.051 5 4 0 -4.87901581778463 16195493 CC1=CC=CC=C1NC(=S)NN=C2CC(OC3=C2C=C(C=C3)O)(C)C 1 4.811 3 2 -12.3362150140011 16195492 C1=CC=C2C(=C1)/C(=N/NC(=S)NC3=CC=CC=C3F)/C(=O)N2CC4=CC=C(C=C4)F 1 5.367 4 1 -4.15251742848725 16195491 CCN=C1N(C(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)/S1)CC 1 3.941 2 4 -3.04494928404799 16195490 COC1=C/C(=C/NNC(=O)CN2C3=CC=CC=C3N=N2)/C=CC1=O 1 0.357 5 3 0 -11.0310885635825 16195489 C1=CC(=CC=C1NC(=O)CCC(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-])F 1 0.29 4 5 0 -8.36655577825419 16195488 C1C2=C(C3=CC=CC=C3S1(=O)=O)SC(=C2)C(=O)NC4=CC=CC=C4F 1 3.862 1 3 -5.36668902998147 16195487 CN(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)CC(=O)N2 1 -1.316 3 6 0 -19.0503166232849 16195486 C1CCN(CC1)C2=NN3C(=C(C(=O)N=C3S2)C=C4C=C(C(=O)C(=C4)Cl)Cl)N 1 3.025 5 2 0 -4.3414174730696 16195485 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)COC3=CC4=C(C=C3)OCO4 1 3.053 3 6 0 -15.9954905740818 16195484 CC(C)CCNC(=O)CCCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S 1 4.832 4 3 0 -17.8132876021356 16195483 CC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)C4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5 1 4.984 3 3 -7.65201198296346 16195482 CC1=CC2=C(C=C1)NC(=O)C3=C2SC(=C3)C(=O)N(C)C4=CC(=C(C=C4)C)C 1 4.997 2 2 -7.19438679966077 16195481 COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCCC3=CC=C(C=C3)S(=O)(=O)N)OC 1 2.773 4 4 0 -10.8348532221787 16195480 CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)/C=C/N(C)C 1 1.868 4 4 0 -15.0416337165313 16195479 C1=CC=C2C(=C1)C3=C(N2CC4=CC(=CC=C4)Cl)C(=O)NN=C3 1 3.892 3 1 -5.12536983239631 16195478 CC(C(=O)O)NC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.623 3 8 0 -25.5459856496864 16195477 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3)C 1 1.545 3 4 0 -10.7491799681957 16195476 COC1=C(C=C(C=C1)CCNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)F)OC 1 3.77 2 5 0 -19.5767950559666 16195475 CCOC1=CC=CC=C1NC(=O)C(=O)NN/C=C/2\C=C(C=CC2=O)Br 1 1.058 3 4 0 -11.1934330339818 16195474 CC1(CC(=NNC(=S)NC2=CC=CC=C2F)C3=C(O1)C=CC(=C3)O)C 1 4.53 3 2 -11.0263733850225 16195473 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NCCCN(CC)CC)C3=CN=CC=C3 1 3.159 5 3 0 -18.8257759543919 16195472 CCOC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3)OCC 1 1.566 3 6 0 -18.3313389404068 16195471 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 1.403 3 5 0 -18.729127922412 16195470 COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NCC5CCCO5 1 3.86 4 4 0 -12.6647010497115 16195469 C1CC2=C(C3=C(C=C(C=C3)C(=O)NCCN4CCOCC4)N=C2C1)SCC(=O)O 1 -0.897 3 4 0 -12.7701008113428 16195468 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CN=CC=C4 1 1.658 4 4 0 -25.0314265406544 16195467 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3 1 1.059 3 4 0 -8.61361960022641 16195466 C1=CC(=CC=C1CCNC(=O)CSC2=C(SC=C2)[N+](=O)[O-])S(=O)(=O)N 1 1.722 3 5 0 -19.0418848155256 16195465 C1=CC=C(C(=C1)NC(=O)CC(C(=O)O)NCC2=CC=CC=N2)Cl 1 -1.107 3 3 0 -11.1294671640127 16195464 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CN=CN3 1 0.571 4 3 0 -4.70667471730138 16195463 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CN=CN3 1 0.793 4 2 0 -3.58183148269199 16195462 C1=CC=C(C(=C1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=C(C=C3)Br 1 6.031 3 3 -6.17263043603586 16195461 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NCC4=CC=CO4 1 -0.545 3 7 0 -28.6236311567622 16195460 CC1=NC(=C(C(=C1)COC)C#N)OCC(=O)NN/C=C/2\C=CC=CC2=O 1 0.196 4 4 0 -13.1895920551058 16195459 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)/C=C/4\C(=O)N(C(=S)S4)CC(=O)O 1 1.981 3 5 0 -18.1925652707754 16195458 C1=CC=C2C(=C1)NC(=O)N(N2O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4 1 1.872 5 4 0 -8.38265848288648 16195457 CC1=C(N=C(O1)C2=CC=CC=C2Cl)CSC3=NC(=O)C4=C(N3)CCCC4 1 4.453 3 2 -2.11086857526391 16195456 COC1=CC=CC=C1C(=O)NCC(=O)NN/C=C/2\C=NN=C2C3=CC=CC=C3 1 0.922 5 3 0 -13.1628249509275 16195455 CCC1=NN2C(=O)C=C(N=C2S1)COC3=C(C=C(C=C3)/C=C/4\C(=N)N5C(=NC4=O)SC(=N5)CC)OC 1 4.215 7 4 0 -24.633008297497 16195454 C1CSC2=C(N1CC3=CC=CC=C3)C=C(C=C2)C(=O)NCC4=CN=CC=C4 1 3.577 3 1 -14.251135081925 16195453 CCOC1=C(C=CC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OCC3=CC=C(C=C3)Cl 1 4.38 3 5 0 -13.4646208965762 16195452 C1=CC=C2C(=C1)/C(=C/NNC(=S)NC3=CC=CC(=C3)C(=O)O)/C=N2 1 2.716 4 2 -5.18416274913314 16195451 CC(C(=O)NCC1=CC=CC=C1)SC2=C(SC=C2)[N+](=O)[O-] 1 3.18 2 3 -11.5200282929794 16195450 CCCCNC1=NC2=C(N=NN2C3=CC=CC=C31)C4=CC=CC=C4 1 3.774 5 0 -2.25148187653443 16195449 CC(C(=O)NCC1=CC=CC=C1OC)SC2=C(SC=C2)[N+](=O)[O-] 1 3.163 2 4 -13.2324374284099 16195448 CC1=NC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)Cl 1 4.656 3 1 -1.49236950060827 16195447 C1=CC=C(C(=C1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O)OCC3=CC(=CC=C3)Br 1 6.031 3 3 -6.88281958059332 16195446 CCC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C4=CC=CC=C4N=C3C 1 4.62 2 2 -2.04976203234857 16195445 CC1=CC(=C(C=C1)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CO4)C 1 3.675 3 2 -6.0605326685914 16195444 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)OC)OC)CS(=O)(=O)C3=CC=CC=C3 1 2.206 2 7 0 -32.4122010619697 16195443 CC[C@H](C)NC(=O)CCCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S 1 4.502 4 3 0 -18.7155443929583 16195442 C1=CSC(=C1)C2=CC(=NO2)C(=O)NC3=CC=C(C=C3)C#N 1 3.139 3 2 -8.87355991465942 16195441 C1CCC(C1)NC(=O)C2=CC=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CS3 1 2.637 2 4 -19.1449677069773 16195440 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NC4=CC=CC(=C4)C(=O)C 1 3.627 2 3 -8.19648213122892 16195439 CC1=CC=C(C=C1)CN2CCSC3=C2C=C(C=C3)C(=O)NCC4=CN=CC=C4 1 4.063 3 1 -13.3389259506207 16195438 COC1=CC=C(C=C1)C2=CN=NC(=N2)NN=C/C=C/C3=CC=CO3 1 2.772 5 2 0 6.59567050516005 16195437 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=NC=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl 1 2.941 5 4 0 -4.69539125772795 16195436 COC(=O)C1=C(SC=C1C2=CC=CC=C2)N3C(=O)NC4=CC=CC=C4N3O 1 3.156 3 4 0 -6.31455488240538 16195435 CCCCNC(=O)CCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S 1 4.124 4 3 0 -16.045087261012 16195434 CN1C2=C(C=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)NCC3=CC=CS3)OC1=O 1 1.652 3 5 0 -24.7539825998064 16195433 CC(=O)N1CCC2(CC1)CC(=NNC(=S)NC3=CC=CC=C3F)C4=C(O2)C=CC(=C4)O 1 3.174 4 3 0 -13.1187802886478 16195432 CCOC1=CC=C(C=C1)NC(=S)N2CCN3C(=NC4=CC=CC=C43)C2 1 4.697 4 1 -8.86459088701335 16195431 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)NC3=CC=CC=C3F)N(C(=O)C1=O)C 1 0.421 4 5 0 -14.572551220159 16195430 CCOC(=O)C(=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C 1 1.234 3 5 0 -6.74480936019304 16195429 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)C(=O)NN=C(C)C3=C(N=C(S3)N)C)C 1 2.033 6 3 0 -7.09118058182421 16195428 C1=CN=CC=C1C2=NN3C(=C(C=NC3=N2)[N+](=O)[O-])[O-].[Na+] Na+ 1 0.198 6 3 0 -3.41588695476676 16195427 CC1=NC=C(C=C1)C(=O)NN/C=C/2\C=C(C(=O)C(=C2)OC)[N+](=O)[O-] 1 -0.431 4 5 0 -5.61537216134734 16195426 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=NC=C3)NC(=O)C4=CC=CC=C4Br 1 3.13 4 2 -5.55245341631792 16195425 COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)NC2=O 1 2.947 3 4 0 -10.7240808900945 16195424 C=CCNC(=O)CCC(=O)NNC1=NC2=CC=CC=C2C3=NC(=NN31)C4=CC=CC=C4 1 2.021 7 2 0 -14.7054848484073 16195423 CN(CCO)C1=C(C2=NON=C2C(=C1)NCCCN3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-] 1 3.584 6 4 0 5.23706003298519 16195422 CC(C)CCNC(=O)CCCCN1C(=O)C2=C(C=CS2)NC1=O 1 2.389 3 3 -21.965060382674 16195421 CCOC1=C/C(=C/C2=C(N3C(=NC2=O)SC(=N3)S(=O)(=O)CC)N)/C=CC1=O 1 1.74 4 5 0 -14.4518557628932 16195420 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCC4=CC=CC=C4)OC1=O 1 2.248 3 5 0 -19.1256410638009 16195419 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=C(C=C(C=C3)F)F)C(=O)N(C1=O)C 1 1.183 4 5 0 -20.9496412705617 16195418 C1=CC(=CC(=C1)Cl)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N 1 1.651 6 2 0 -21.2656479830124 16195417 CCC1=NN2C(=N)/C(=C\C3=CC=CN3C4=C(C=CC=C4C)C)/C(=O)N=C2S1 1 5.237 5 1 -14.659322507722 16195416 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCN3CCN(CC3)C4=CC=CC=C4F)N(C(=O)C1=O)C 1 1.347 5 4 0 -3.1550921273081 16195415 CC1=C(C(=NN1)SCC(=O)NC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 2.014 4 4 0 -9.36972524383463 16195414 C1=CC=C(C(=C1)NC(=O)CCS(=O)(=O)C2=CC=C(S2)Br)Br 1 3.343 1 3 -13.4417009311479 16195413 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3C(=O)NC4=CC=CC=C4O3 1 2.597 3 4 0 -11.7304062092952 16195412 CC1=C[N+](=CC=C1)CC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3.[Br-] Br- 1 3.961 2 2 -5.31195118414038 16195411 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)C(=O)N.[Br-] Br- 1 2.477 3 3 -10.2859474730263 16195410 CC1=CC=C(C=C1)C(=O)NN=C/C=C/C2=CC=CC=C2 1 3.529 2 1 -0.100396134755572 16195409 CC1=C(C=C(C=C1)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CS4)C 1 4.233 3 1 -6.90487003764863 16195408 C1=CC(=CC(=C1)N2C(=O)/C(=C/C3=CC=C(O3)SCC4=CC=C(C=C4)Cl)/SC2=S)C(=O)O 1 6.563 1 4 -8.96491871967279 16195407 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C3=CC=CC(=C3)C)OC1=O 1 2.781 2 6 0 -12.1009687441218 16195406 C1=CC=C(C=C1)C2=CC(=NN2)N3C(=O)NC4=CC=CC=C4N3O 1 2.789 5 2 0 0.619714465567092 16195405 C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)SCC(=O)O 1 4.347 2 3 -8.44465970993115 16195404 CC(C)OCCCNC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C 1 1.324 4 6 0 -31.6224989718927 16195403 COC1=CC2=NC3=C(C=C2C=C1)C(=NN3C(=O)C4=CC=C(C=C4)F)N 1 3.495 4 2 -0.391661667607829 16195402 CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)/C(=N)N21 1 4.177 4 6 0 -10.4706162865589 16195401 C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C(=C(N=N3)C(=O)NCC4=CC=CO4)N 1 0.196 6 5 0 -26.1789274108204 16195400 COCCCNC(=O)CN1C2=C(C(=O)N(C1=O)CC(=O)NCCC3=CC(=C(C=C3)OC)OC)SC=C2 1 0.852 4 7 0 -24.1592357124475 16195399 C1=CSC(=C1)CNC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2 1 0.699 2 3 0 -9.85514006333286 16195398 CCCC1=[N+](C2=CC=CC=C2N1CC(COCC3=CC=CC=C3)O)C.[I-] I- 1 4.313 2 2 7.03138380803735e-002 16195397 COC1=CC(=C(C=C1)CCNC(=O)CSC2=C(SC=C2)[N+](=O)[O-])OC 1 2.984 2 5 0 -16.7917225172312 16195396 COCCCNC(=O)CN1C2=C(C(=O)N(C1=O)CCCCCC(=O)NCC3=CC4=C(C=C3)OCO4)SC=C2 1 1.814 4 7 0 -29.4600930779337 16195395 C1=COC(=C1)/C=C/C(=O)NCC(=O)NN=CC2=CC=C(C=C2)Cl 1 2.27 3 3 -10.0123169520309 16195394 CC(C(=O)N1CCN(CC1)C2=CC=CC=N2)SC3=C(SC=C3)[N+](=O)[O-] 1 2.82 4 3 0 -7.09462156661915 16195393 C1CN(CCN1C2=CC=CC=N2)C(=O)CSC3=C(SC=C3)[N+](=O)[O-] 1 2.336 4 3 0 -8.27022374666782 16195392 CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CO3)N)C 1 1.887 6 3 0 -24.4474733887321 16195391 COC1=CC=CC(=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=C(C(=C4)OC)OC)OC 1 3.123 3 7 0 -11.4711221678856 16195390 C1=COC(=C1)CNC(=O)CSC2=C(SC=C2)[N+](=O)[O-] 1 1.877 2 4 0 -16.116528968094 16195389 CN1C(=CC2=C1C3=CC=CC=C3NC2=O)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-] 1 3.123 5 4 0 -7.2637110104775 16195388 C1=CC=C2C(=C1)C(=NC3=C(N=NN23)C4=CC=C(C=C4)F)NN 1 1.953 6 0 0 2.33750894393695 16195387 CCOC(=O)C1=C(SC2=C1CCC2)N=CC3C(=O)NC(=O)NC3=O 1 1.335 3 5 0 -15.3693617260928 16195385 CC1=C(C(=CC=C1)C)NC(=O)C2(C3=CC=CC=[N+]3CC(=O)N2CC4=CC=CS4)C.[I-] I- 1 4.124 3 2 -8.1143973581866 16195384 C1=CC=C2C(=C1)C(=NC3=C(N=NN23)C4=CC=C(C=C4)Cl)NN 1 2.412 6 0 3.44763060905852 16195383 COCCNC(=O)CN1C=C(C2=CC=CC=C2C1=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F 1 0.517 4 5 0 -22.7833392003945 16195382 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NCC4=CC=CC=N4 1 0.111 4 5 0 -26.3622468400496 16195381 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4=CC=CC=C4OC 1 2.336 3 5 0 -25.0357611804552 16195380 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC(=O)C3=C[N+](=CC=C3)CCO.[Cl-] Cl- 1 1.122 3 3 0 -1.37614898821724e-002 16195379 COC1=CC(=C(C=C1)OC)CCNC(=O)CSC2=C(SC=C2)[N+](=O)[O-] 1 2.984 2 5 0 -16.3659065792599 16195378 C1CC(CN(C1)C2=NC3=C(C(=O)S2)SC=C3)C(=O)NCC4=CC=CC=C4Cl 1 4.253 3 2 -17.5122896407869 16195377 COC(=O)C1=C(N=CC=C1)N2C(=O)C3=C(N=CC=C3)N(C2=O)CC4=CC=C(C=C4)[N+](=O)[O-] 1 2.663 5 6 0 -9.8183778384132 16195376 COC1=CC=C(C=C1)CNC(=O)CSC2=C(SC=C2)[N+](=O)[O-] 1 2.679 2 4 -14.3760085026956 16195375 COC(=O)C1=C(N=CC=C1)N2C(=O)C3=C(N=CC=C3)N(C2=O)CC(=O)NC4=CC=C(C=C4)Br 1 2.57 5 5 0 -12.5710108000164 16195374 CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC(=O)NCCOC)CC4=CC=CC=C4 1 1.753 4 6 0 -24.0139287741328 16195373 CCOC1=CC=C(C=C1)N(CC(=O)NC2=NC=CS2)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 -0.135 5 6 0 -25.6198612631562 16195372 CCCCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=O)C(=O)N2C)C 1 1.257 3 4 0 -13.5003511773402 16195371 C1=CC=C2C(=C1)NC(=O)N(N2O)C3=NNC(=C3)C4=CC=C(C=C4)Cl 1 3.453 5 2 0 3.08464256948151 16195370 CCOC1=CC=C(C=C1)C2=CC(=NN2)N3C(=O)NC4=CC=CC=C4N3O 1 3.121 5 3 0 8.34545180425322e-002 16195369 CC1CCCCC1NC(=O)CSC2=C(SC=C2)[N+](=O)[O-] 1 3.29 2 3 -16.6309122452928 16195368 CCOC1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCC4=CC=C(C=C4)F)O 1 3.515 3 4 0 -7.32300434209334 16195367 C1=CC=C(C=C1)CSC2=CC=C(O2)/C=C\3/C(=O)N(C(=S)S3)CC(=O)O 1 4.173 1 4 -13.6756737428191 16195366 C1=CC=C2C(=C1)C(=NS2(=O)=O)N(CCC#N)N=CC3=CN=CC=C3.Cl Cl- 1 1.299 5 2 0 -6.18062557443566 16195365 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C(=CC=C3)OC)OC2=NNS(=O)(=O)C4=CC=C(C=C4)C 1 4.459 2 6 0 -5.31259226415758 16195364 CC1=CC=C(C=C1)CNC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 2.398 3 5 0 -21.9057307576292 16195363 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)C(=O)C 1 -0.545 4 6 0 -22.0477056851803 16195362 C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=C(C=C4)C(=O)O)C5=CC=CS5)C(=O)C1 1 3.224 4 3 0 -19.9305263476634 16195361 C1=CC2=C(C(N(C2=O)CC3=CC=CS3)NC4=C(C=C(C=C4)Br)Br)N=C1 1 4.758 3 1 -4.06072715045324 16195360 C1CCN(C1)C2=NC(=NC(=N2)NCCO)NC3=CC=C(C=C3)[N+](=O)[O-] 1 1.116 7 3 0 -1.252064118449 16195359 COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCC=C)OC 1 2.78 3 2 -10.3052714606009 16195358 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=C(N(C(=C3)C)C4=CC=CC(=C4)C(=O)O)C)/NC2=O 1 2.862 4 5 0 -12.7036947655203 16195357 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C=CC=C3 1 3.125 3 1 -3.365487283767 16195356 COC1=CC2=NC3=C(C=C2C=C1)C(=NN3C(=O)C4=CC(=CC=C4)F)N 1 3.495 4 2 0.179796710795525 16195355 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3C4C5=CC=CC=C5CCN4C(=O)C6=CC(=C(C=C36)OC)OC 1 3.566 4 4 0 -5.8860293104243 16195354 CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)Cl)N(C(=O)C1=O)C 1 1.621 3 4 0 -2.44335471950868 16195352 COC1=CC(=C(C=C1)C2=CC(=NN2)N3C(=O)NC4=CC=CC=C4N3O)OC 1 2.756 5 4 0 -1.56454490023326 16195351 COC1=CC=C(C=C1)C2=CN=NC(=N2)NN=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.116 6 4 0 2.48549683307217 16195350 CC1=C(C=CC=C1Cl)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N 1 2.137 6 2 0 -22.7585782245843 16195349 C1CN2C(=O)C=C(SC2=N1)C(=O)NC3=CC=C(C=C3)F.Br Br- 1 1.699 3 2 0 -7.29582347631928 16195348 C1CN(CC2=CC=CC=C21)CC3=C(N=NN3C4=NON=C4N)C(=O)NN 1 0.473 9 2 0 -26.4002507370538 16195347 C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)NC4=NC=C(C=C4)Cl 1 4.167 2 2 -0.2187672844523 16195346 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 0.781 5 5 0 -14.6284038957498 16195345 CN1C2=C(C=C(C=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)NCC4CCCO4)C(=O)N(C1=O)C 1 1.346 4 6 0 -30.303400926764 16195344 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N(CC(=O)NC2=NC=CS2)C3=CC=C(C=C3)OC 1 -0.483 5 6 0 -24.8536381114482 16195343 C1=CC=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)CC(=O)NCC5=CC=CO5)SC=C3 1 3.151 4 5 0 -21.3525575387544 16195342 C1=CC(=CC(=C1)F)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CO4 1 2.908 3 2 -4.25696319910925 16195341 COCCCNC(=O)CSC1=C(SC=C1)[N+](=O)[O-] 1 1.044 2 4 0 -17.8127659616026 16195340 C1CC(CN(C1)C2=NC3=C(C(=O)S2)SC=C3)C(=O)NCC4=CC=C(C=C4)F 1 3.794 3 2 -15.4367731848382 16195339 CCN(C1=CC=CC=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)OC2=O 1 1.541 3 6 0 -22.5478188292327 16195338 C1=CC=C2C(=C1)N=C(N2CC(=O)NN=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C5=NON=C5N 1 3.041 7 5 0 -6.80312643471825 16195337 COC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3C(=O)NC4=CC=CC=C4O3 1 2.249 3 4 0 -10.6313035396228 16195336 COC1=CC(=C(C=C1/C=C/2\CCC(C2=O)C3CCCC3)OC)OC 1 4.431 0 4 -5.52924628728922 16195335 COC1=CC(=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC 1 3.329 4 6 0 -10.8847113251834 16195334 CC1=CC(=CC(=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O)C.Cl Cl- 1 3.722 2 4 -1.62010966119604 16195332 COC1=CC(=CC=C1)OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O.Cl Cl- 1 2.971 3 5 0 -6.06594396453656 16195331 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC(=CN=C3)Br 1 1.466 4 2 0 -10.0024345818858 16195330 CC1=NNC(=O)C1CC(=O)NN=C(C)C2=CC=CS2 1 0.139 4 2 0 -20.0159919684555 16195329 CC1=C(C(=NO1)C2=CC=CC=C2)C3=N/C(=C\C4=CC(=C(C=C4)OC(=O)C)OC)/C(=O)O3 1 3.61 2 6 0 -12.7814538899422 16195328 CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=O)C3=CN=CC=C3)OC)[N+](=O)[O-])Br 1 3.077 6 4 0 -13.3211811969505 16195327 CCC1=CC=C(C=C1)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CC(=O)NCCCOC 1 3.214 2 3 -13.008198078752 16195326 CCOC1=CC=CC=C1NC(=O)CN(C)S(=O)(=O)C2=CN=CN2 1 -7.3e-002 4 4 0 -10.3058937648741 16195325 CC1=C(C=CC(=C1)Cl)OCC(=O)NCC(=O)NN=CC2=CC=CO2 1 2.124 3 4 0 -8.57012614503158 16195324 CCCCN(C)CCCNC(=O)/C=C\1/C(=O)NC2=CC=CC=C2S1 1 2.294 3 2 -8.45162164453481 16195322 CC[N+]1=C(C=CC2=C1C=CC(=C2)C)/C=C/C3=CNC4=CC=CC=C43.[I-] I- 1 6.04 2 0 15.5138441237344 16195321 CN(C)CCN(CC1=CC=CO1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4N=C3Cl 1 4.361 3 2 -5.3873712923351 16195320 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NCC=C)[N+](=O)[O-] 1 3.027 3 4 0 -12.3725259436074 16195319 C1=CC=C2C(=C1)N(C(=O)/C(=C/C3=C(C=CC=C3Cl)F)/O2)CC(=O)NCC4=CC=CO4 1 3.417 2 4 -12.9582660195562 16195318 C=CCNC1=NC(=NC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])Cl 1 2.603 6 2 0 -8.05380725832974 16195317 CC(=NNC(=O)CNC(=O)C1COC2=CC=CC=C2O1)C3=CC4=C(C=C3)OCCO4 1 1.282 3 6 0 -12.7761253633802 16195316 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCCCN3CCC(CC3)C 1 2.483 3 2 -14.0944003129623 16195315 CCCNC(=O)CCC1=C(N2C(=NC(=N2)C)N=C1C)C 1 1.333 5 1 0 -21.9441327618173 16195314 CC1=C(C=C(C=C1)NC(=O)CCC2=NC3=CC=CC=C3N2)C 1 3.578 3 1 -8.10063605649894 16195313 COC1=C(C=C(C=C1)CCNC(=O)CCC2=NC3=CC=CC=C3N2)OC 1 2.901 3 3 -16.8548249837564 16195312 COC1=CC=CC(=C1)C(=O)NCC(=O)NN/C=C/2\C=NN=C2C3=CC=CC=C3 1 0.922 5 3 0 -11.7620999333667 16195311 COC1=C(C=C(C=C1)Br)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 3.309 3 4 0 -6.24835689180675 16195310 CC(=NNC(=O)C1=CC=CO1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 2.843 3 3 -11.1396301616067 16195309 CC(=O)NC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)/C=C\3/C(=N)N4C=CSC4=NC3=O)OC 1 2.532 4 5 0 -22.8717724593823 16195308 CC1=CC2=NC(=O)/C(=C\C3=CC(=C(C=C3)OC(=O)C4=CC=CO4)OC)/C(=N)N2O1 1 2.394 3 6 0 -14.7115584187626 16195307 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=NC=C3 1 2.803 4 2 -6.9416948742701 16195306 C1CN(CCN1CCCNC(=O)CC2=CSC(=N2)NC3=NC(=S)NC4=CC=CC=C43)C5=CC=CC=C5F 1 4.477 7 1 0 -6.55669941767137 16195304 C1=COC(=C1)/C=C/C(=O)NCC(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.5 4 5 0 -13.928713429975 16195303 COC1=CC=C(C=C1)/C=C/C(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 3.689 0 5 -5.70032280710124 16195302 C1=CC=C2C(=C1)/C(=C/NNC(=O)CCC(=O)NC3=CC=C(C=C3)F)/C=N2 1 1.225 4 2 0 -5.70856914288022 16195301 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=CO3)Cl 1 3.527 3 3 -8.76822057131431 16195300 C/C(=C/1\SC(=S)NC1=O)/C/C(=C\2/SC(=S)NC2=O)/C 1 3.683 2 2 -1.48136823486222 16195299 CC(C)C1=C(C(=NO1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)[N+](=O)[O-] 1 2.838 4 5 0 -13.1938004511205 16195298 CS(=O)(=O)C1=CC2=C(C=C1)SC(=N2)NC(=O)C3=CC4=CC=CC=C4O3 1 3.361 2 4 -5.51362142154168 16195297 CN\1CCO/C1=C(\C(=C(Cl)Cl)Cl)/[N+](=O)[O-] 1 2.207 2 3 1.57723699870764 16195296 CC1=CC=C(C=C1)SC(=C(Cl)Cl)/C(=C/2\NC3=C(N2)C=C(C=C3)C)/[N+](=O)[O-] 1 5.705 3 2 -1.61742351969802 16195295 CCN(CC)C(=O)C1=C(C2=C(S1)N(C(=O)N(C2=O)C3=CC(=C(C=C3)C)C)CC(=O)NCC4CCCO4)C 1 3.619 4 5 0 -27.4956811959783 16195294 CC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC(=CC=C4)F)C5=C(C=C(C=C5)OC)OC 1 3.581 3 5 0 -11.470108675698 16195293 CN\1CCN/C1=C(/C(=C(Cl)Cl)N(C)CC2=CC=CC=C2)\[N+](=O)[O-] 1 2.74 4 2 -7.32341560816579 16195292 CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC)[N+](=O)[O-] 1 3.122 4 5 0 -1.48940199432663 16195291 COC1=CC=CC(=C1)CNC(=O)C2CCC(CC2)CNC3=NC(=S)NC4=CC=CC=C43 1 4.715 4 2 -16.1136705265151 16195290 CC1=CC2=C(C=C1)N/C(=C(/C=C(/[N+](=O)[O-])\Cl)\[N+](=O)[O-])/N2 1 3.099 4 4 0 -1.91627412051249 16195289 CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NNC(=C3)C(=O)NN=CC4=CN=CC=C4 1 2.869 7 1 0 -3.64119043469307 16195288 C1=CC(=C[N+](=C1)CC(=O)N)C(=O)N.[Cl-] Cl- 1 -0.71 3 2 0 -6.02557821377581 16195287 CC(=O)NCCNC(=O)CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=O 1 0.36 4 6 0 -22.9779044840962 16195286 CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NN=C/C=C/C3=CC=CC=C3 1 0.687 6 3 0 -11.69923205632 16195285 C1=CN(C=CC1=C[NH+]=O)CC(=O)N.[Cl-] Cl- 1 -1.513 3 2 0 -2.25154803119864 16195284 CC1=CC=CC=C1NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=C(C=C3)OC)N 1 1.709 6 3 0 -20.1562169556369 16195283 COC1=CC=CC=C1C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.346 4 5 0 -11.379726416621 16195282 C1=CC=NC(=C1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.64 5 4 0 -9.90311736477069 16195238 CCOC\1=NN(C(=O)/C1=C/NCC2=CN=CC=C2)C3=CC=C(C=C3)Cl 1 2.092 4 2 -6.55515479146477 16195239 COC1=C(C=C(C=C1)/C=C(/C=NOC)\C#N)OC 1 1.862 2 3 0 -6.97199609222872 16195240 CCOC\1=NN(C(=O)/C1=C/NC2=C(C=C(C=C2)F)F)C3=CC=CC=C3 1 3.26 3 2 -3.62880847114237 16195241 CCOC\1=NN(C(=O)/C1=C/NC2=CC=CC=C2)C3=CC=CC=C3 1 2.849 3 2 -5.1386454192136 16195242 CC1=C(C(=CC=C1)C)N/C=C/2\C(=NNC2=O)C(F)(F)F 1 2.654 3 1 -7.6751799504583 16195243 C1=CC(=CN=C1)CN/C=C/2\C=NNC2=O 1 -0.907 4 1 0 -10.5563970535615 16195244 C1COCCN1N/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C(F)(F)F 1 0.939 4 2 0 -5.99385318820602 16195245 CCOC\1=NN(C(=O)/C1=C/NCC2=CN=CC=C2)C3=CC=CC=C3 1 1.428 4 2 0 -8.7358509037186 16195246 CCOC\1=NN(C(=O)/C1=C/NCC2=CC=NC=C2)C3=CC=CC=C3 1 1.428 4 2 0 -6.63957172756054 16195247 COC1=CC=C(C=C1)/C=C(/C=NOC)\C#N 1 1.878 2 2 0 -3.08285370273604 16195248 C1CN(C2=CC=CC=C21)/C=C\C(=O)C(F)F 1 2.396 1 1 -2.42416435629817 16195249 CN1C(=O)/C(=C/NC2=CC=C(C=C2)C(=O)OC)/C(=N1)C(F)(F)F 1 1.743 3 3 0 -8.04449482630419 16195281 COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC(=O)NC3=CC(=CC=C3)F)N)OC 1 1.74 6 4 0 -23.1038667869157 16195280 CC1=C(C(=NO1)C(=O)NCC2=CC=CC=N2)[N+](=O)[O-] 1 0.608 4 4 0 -11.7240288716955 16195279 C1=CC(=C[N+](=C1)CC(=O)NC(=O)N)C=NO.[Cl-] Cl- 1 -0.105 4 3 0 -4.5688545913848 16195278 CC(C)CC1=NN2C(=C(C(=O)N=C2S1)/C=C/3\C=NC4=CC=CC=C43)N 1 3.221 5 1 -6.32352269466063 16195277 C1=CC=C(C=C1)CN=C2N(C(=O)/C(=C/C3=CN=CC=C3)/S2)CC4=CC=CC=C4 1 4.425 3 1 -6.14922811780788 16195276 CC(C1=CC2=C(C=C1)OCCO2)NC(=O)CCN3C(=O)CCC(=N3)C4=CC=CC=C4 1 2.31 3 4 0 -18.904270287687 16195275 C1CC(CCC1CNC2=NC(=S)NC3=CC=CC=C32)C(=O)NCCC4=CC=CC=C4 1 5.053 4 1 -16.8350301267315 16195272 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=CC=C(C=C4)C(=O)O.Br Br- 1 3.672 4 3 0 0.536418199363943 16195271 C1=CC=C2C(=C1)C=CC=C2CC(=O)NN/C=C\3/C=CC4=CC=CC(=O)C4=N3 1 2.005 3 2 -6.19946689395461 16195270 C1=CC(=C(C=C1N)C(=O)O)N.Cl Cl- 1 -3.4e-002 2 2 0 0.706192399061853 16195269 C1=C(C=NC=C1O)C(=O)NCCCCCCNC(=O)C2=CC(=CN=C2)O.O.Cl Cl- H2O 1 0.664 4 4 0 -7.88653434025605 16195267 COC1=CC=CC=C1CNCC(=O)NC2=CC=C(C=C2)C(F)(F)F.Cl Cl- 1 2.93 2 2 -1.2143127318733 16195266 C1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)N.Cl Cl- 1 2.558 3 0 1.67913429560156 16195265 CN1CCC2(CC1)NC3=CC=CC=C3C(=O)N2.Cl Cl- 1 1.312 3 1 0 -3.37449194577523 16195264 CC1=NNC(=O)C1CC(=O)NN=C/C=C/C2=CC=CC=C2 1 0.565 4 2 0 -11.8042168188681 16195263 C1=CC2=C(C=C1N)NC(=N2)CCCO.Cl Cl- 1 0.757 3 1 0 2.46165817751612 16195262 COC1=C(C=C(C=C1)C2C3=CC4=C(C=C3NC5=C2C(=O)OC5)OCO4)OCC#C 1 3.794 1 6 0 -19.8806195917509 16195261 COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)CC4=CC(=CC=C4)C(F)(F)F 1 5.502 3 1 10.9560389367194 16195260 C1=CC=C2C(=C1)C(OC2=O)/C(=C\NC3=C(C=CC(=C3)Cl)O)/[N+](=O)[O-] 1 3.024 2 5 0 3.20639225671901 16195259 COC1=C/C(=C/NNC2=NC3=CC=CC=C3NC2=O)/C=CC1=O 1 -3.2e-002 4 3 0 -5.15036642590918 16195258 C1=CC=C(C=C1)C\2=NNC(=O)/C2=C\NC3=C(C=C(C=C3)F)F 1 2.678 3 1 -6.45764627150041 16195257 CN1C(=O)/C(=C/NC2=CC=C(C=C2)S(=O)(=O)N(C)C)/C(=N1)C(F)(F)F 1 1.004 4 3 0 -9.62312595164899 16195256 CCOC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)OC)C3=CC=CC=C3 1 2.833 3 3 -5.0308830793011 16195255 CC1=CC(=C(C=C1)F)N/C(=C(\C#N)/C(=O)C2=CC=C(C=C2)C(C)(C)C)/O 1 5.413 2 2 -6.28118270455704 16195254 CCOC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)C)C3=CC=CC=C3 1 3.336 3 2 -4.68895981879201 16195253 C[C@@H]1CC2C(C[C@]3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7[C@](CC8[C@](O7)(CC9C(O9)C1C(O8)CC2C(O1)CC1[C@@](O2)(C(CC(O1)CC(=C)C=O)O)C)C)(O[C@@]6(CC5)C)C 1 1.227 0 15 0 -7.1202744507901 16195252 CN1C=C(C=C1/C=C(/C=NOC)\C#N)C(=O)C2=CC=CC=C2 1 2.89 3 2 -5.00189843596785 16195251 C1=CC(=NC(=C1)Cl)N2C(=O)/C(=C/NOCC3=C(C=C(C=C3)Cl)Cl)/C=N2 1 3.391 4 2 1.1367925520886 16195250 COC(=O)C1=CC=C(C=C1)N/C=C/2\C(=NNC2=O)C(F)(F)F 1 1.537 3 3 0 -11.6558115993843 16195237 CN1/C(=C\C2=CC=C(C=C2)OC(F)(F)F)/C(=O)N=C1N 1 3.117 3 2 0.689818007171402 16195236 C[C@@H]1CC2C(C[C@]3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7[C@](CC8[C@](O7)(C/C=C\C9C(O8)CC1C(O9)CC2[C@@](O1)(C(CC(O2)CC(C)CO)O)C)C)(O[C@@]6(CC5)C)C 1 2.08 0 14 0 -3.3117870236386 16195235 CCOC(=O)C1=CC=CC=C1C2=CN3C=C(C=CC3=N2)Cl 1 3.386 2 2 -4.65458774543042 16195234 C1=CN(C=C1)C2=CN=C(C=C2)Cl 1 2.429 2 0 -0.190533492824215 16195233 CC(C)S(=O)(=O)CC(=O)C1=CC=C(C=C1)Cl 1 2.425 0 3 -3.0949444282571 16195232 C[C@@H]1CC2C(C[C@]3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7[C@](CC8[C@](O7)(C/C=C\C9C(O8)CC1C(O9)CC2[C@@](O1)(C(CC(O2)CC(=C)CO)O)C)C)(O[C@@]6(CC5)C)C 1 1.952 0 14 0 -4.47170332641739 16195231 C[C@@H]1CC2C(C[C@]3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7[C@](CC8[C@](O7)(C/C=C\C9C(O8)CC1C(O9)CC2[C@@](O1)(C(CC(O2)CC(=C)C(=O)O)O)C)C)(O[C@@]6(CC5)C)C 1 2.186 0 15 0 -5.94394703551873 16195230 CC[N+]1=C(C=C2C3=CC=CC=C3SC2=C1C)C.[I-] I- 1 4.136 1 0 9.25433328015608 16195228 C1C=CC[C@H]([C@H]1C(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)O 1 2.402 2 4 -4.55432600994927 16195227 CC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2CC3CC2C=C3 1 1.389 3 2 0 -6.07912928824298 16195226 C1C(=O)NN(C1=O)C2=CC(=CC=C2)F 1 0.545 2 2 0 -2.74179614426237 16195225 C1=CC(=CC=C1/C=C/C=NNC(=O)C2=CC=C(C=C2)N)[N+](=O)[O-] 1 2.191 4 3 0 -1.32484223267719 16195224 C1=CC2=C(C(=C1)N)N=C(N2)C(F)(F)F.Cl Cl- 1 1.947 3 0 0 2.76491530466418 16195222 CC1=C(C(=O)OC2=NNC(=C12)C3=CC=CC=C3)CCO.Cl Cl- 1 2.816 2 3 -2.87625997199308 16195221 COC1=C(C=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4CCCO4)OC 1 2.266 3 6 0 -21.7990919370205 16195220 CCCCNC(=O)CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.544 4 6 0 -23.496688473777 16195219 COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=C(C=C4)OC)OC 1 4.454 3 5 0 -12.1654279426969 16195217 C1CCN2[C@H](C1)[C@@H]3[C@H](O2)C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F 1 2.078 2 3 2.88466865610474 16195216 CCOC(=O)C/C(=N/N(C)C1=C(C=C(C=N1)C(F)(F)F)Cl)/N 1 2.613 4 2 -0.465039947898781 16195215 C1=CC=C(C=C1)CSCCNC(=O)CCN2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)N 1 1.335 4 4 0 -19.6702287108628 16195210 C1CCN(C1)CC(=O)NC2=CC=C(C=C2)Br.Cl Cl- 1 2.165 2 1 -3.87602119065556 16195208 CC1CC(C2=C1C(=CC=C2)N/C(=C\[N+](=O)[O-])/SC)(C)C 1 4.141 2 2 -0.645700109284223 16195206 CC(C(=O)C1=CC=C(C=C1)Cl)[N+]2=CC=C(C=C2)NC(=O)C.[Cl-] Cl- 1 2.959 2 2 -3.00635854074872 16195204 COC1=CC=CC(=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NCC4=CC=CO4 1 1.669 4 6 0 -18.7069080787796 16195203 C1C(N=C2N=C(NN2C1=O)N)C3=CC=C(C=C3)Cl 1 0.814 5 1 0 -1.55471881591715 16195201 CC(=O)C1=CC(=C(C=C1)OC)CSC(=N)N.Cl Cl- 1 1.73 2 2 0 -6.93674242585008 16195199 CC1=C[N+](=CC=C1)C(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C.[Br-] Br- 1 3.421 3 3 -8.89418045311452 16195198 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCC(=O)NC3=CC(=CC=C3)F 1 1.927 3 3 0 -8.59456997839665 16195197 CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNCCC3=CC=C(C=C3)Cl 1 2.036 2 2 -3.21013965140824 16195196 CCC1=C(N(N=C1C)C(=O)/C(=C\N(C)C)/C#N)C 1 1.628 4 1 0 -7.44187920757658 16195195 CC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC=CS2 1 3.46 2 1 -5.42010309901549 16195194 CCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br Br- 1 3.182 4 3 0 -6.5266258977703 16195192 C1=CC(=C[N+](=C1)CCC[N+]2=CC=CC(=C2)C(=O)N)C(=O)N.[Br-] Br- 1 0.754 4 2 0 -1.6589732623438 16195189 C1=C(C=NC=C1O)C(=O)NCCCNC(=O)C2=CC(=CN=C2)O.Cl Cl- 1 -0.829 4 4 0 -7.13428344895718 16195188 CC1=[N+](C2=C(N1C3=CC=CC=C3)C=CC(=C2)Cl)CCOC(=O)C.[I-] I- 1 4.329 2 2 3.16777409403986 16195186 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CNC3=CC=NC=C3.Cl Cl- 1 3.359 3 3 -1.70389881639343 16195185 COCCNCC(=O)NC1=CC=C(C=C1)OC(F)(F)F.Cl Cl- 1 2.409 2 3 -3.69023508784415 16195184 C1CCC(CC1)CNCC(=O)NC2=CC=C(C=C2)OC(F)(F)F.Cl Cl- 1 4.729 2 2 -2.48293994990649 16195183 CC1=C(C=C(C=C1)NC(=O)CNCC2=CC=CC=C2)Br.Cl Cl- 1 3.238 2 1 -2.85592002626474 16195179 C1CN(CCN1CC(COC2=CC=CC=C2)O)CC(COC3=CC=CC=C3)O.Cl Cl- 1 2.52 2 4 -2.90251096069391 16195177 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNCC3=CC=CS3.Cl Cl- 1 1.778 3 3 0 -19.8697338230786 16195176 C1=CC=C2C(=C1)N=C(N2C(=O)C3=CC=CS3)N.Cl Cl- 1 2.748 3 1 0.41866003530731 16195172 C1CCN(C1)CC(=O)NC2=CC3=C(CCC3)C=C2.Cl Cl- 1 2.474 2 1 -7.90962385431597 16195171 C1CCC(CC1)N2CCN(CC2)CC(=O)NC3=CC=CC4=CC=CC=C43.Cl Cl- 1 3.68 3 1 -3.03490822145098 16195170 C1=CC=[N+](C=C1)C2=C(C3=CC=CC=C3N2)CCCC(=O)O.[Cl-] Cl- 1 4.006 2 2 -7.05727330668166 16195169 C1CN(CCC1C(=O)O)CC2=CC=CC=N2.Cl Cl- 1 -1.965 2 2 0 -2.46231241339526 16195168 CC1=CC(=NN1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCCC(=O)NC4CCN(CC4)CC5=CC=CC=C5 1 2.521 7 4 0 -13.2521097999681 16195165 C1CCN2[C@H](C1)[C@@H]3[C@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl 1 1.8 2 3 0 -0.429489302972543 16195163 COC1=CC=C(C=C1)CNCC(=O)NC2=CC=CC=C2N3C=CC=C3.Cl Cl- 1 2.863 3 2 -6.30127554229108 16195162 C1=CC(=CC=C1N)OCC(C[N+]2=CC=C(C=C2)CCS(=O)(=O)[O-])O.Br Br- 1 -0.775 2 5 0 -5.41593415247426 16195161 CC1=CC(=[N+](N1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)C)C.[I-] I- 1 3.847 3 1 4.52647265223273 16195160 C1CC(OC1)CNC(=O)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5Cl 1 4.402 3 4 0 -17.3666909354286 16195159 C1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)Br)C(=O)N.[Br-] Br- 1 2.441 2 2 -2.89581399154999 16195158 CC1=NN=C(S1)SC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCO 1 1.416 6 4 0 -4.58855579076586 16195157 C1=CC=C(C=C1)N2C=NC(=N2)OC/C(=N/S(=O)(=O)C3=CC=CC=C3)/N 1 2.142 5 3 0 -3.59699305677759 16195156 C1CN(CCN1CC2=NN=C(O2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5.Cl Cl- 1 4.548 4 1 -4.80278447520496 16195155 CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC=CC=C3Cl)N4CCN(CC4)CCO 1 3.888 3 2 -9.97596177278255 16195154 CN1C=CC=C1/C=C/2\C(=O)N(C(=S)S2)CC(=O)O 1 2.119 2 3 -12.4853199989588 16195153 C1=CC(=CC=C1C(CN)(C2=CC=C(C=C2)Cl)O)Cl.Cl Cl- 1 3.193 1 1 3.01168103638909 16195152 CC(=O)N[C@H]1[C@H](COC2=C1C3=CC=CC=C3C=C2)COC(=O)C 1 1.592 1 4 0 -5.05323679517598 16195151 CC(=O)NNC1=NC(=NC(=C1)N2CCOCC2)N3CCOCC3.Cl Cl- 1 -0.765 6 3 0 -4.15244033098556 16195150 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2C(C)C)C3=CC(=CC=C3)OC 1 2.89 3 5 0 -14.34548697865 16195149 CC12CC[C@H]3[C@H](C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CC[C@H](C5)O)C=NNC(=O)C6=CC=CC=C6O)O 1 2.191 2 7 0 -4.03743854285147 16195148 CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C=CC=NC3=C(C=C2)O.Cl Cl- 1 2.748 2 3 1.79442320063105 16195147 C1=CC=C(C(=C1)/C=C\C(=O)O)OC2=CC(=CC=C2)Cl 1 4.152 0 3 4.9730505114047 16195146 C1=CC=C(C(=C1)/C=C\C(=O)O)OC2=CC=C(C=C2)F 1 3.693 0 3 4.12217695380684 16195145 CC1=CC(=O)/C(=C/NOCC2=C(C=C(C=C2)Cl)Cl)/C(=O)O1 1 2.365 1 4 -3.68232112559038e-002 16195144 CC12CC[C@H]3[C@H](C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CC[C@H](C5)O)C=NNC(=O)CC6=CC=CC=C6)O 1 2.467 2 6 0 -8.35116869421454 16195143 C[C@]12C[C@@H]([C@H]3C([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O)O 1 2.769 0 3 -3.7112331381652 16195142 C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(=O)CN4CCOCC4.Cl Cl- 1 1.008 4 2 0 -2.14731487018137 16195141 CCOC(=O)C1CCCN(C1)C2=C3C=C(C=CC3=NC=C2C(=O)C4=CC=CC=C4)OC 1 4.377 2 4 -3.90595060498788 16195140 COCCCNC(=O)C(CC(=O)N)NC(=O)OCC1=CC=CC=C1 1 -0.171 3 5 0 -19.6961395931923 16195139 CC1CCC(C(C1)OC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=C(C=C4)Cl)C(C)C.[Cl-] Cl- 1 6.331 2 2 6.63782155946044 16195138 COC(=O)C1=CC(=O)N(C(=NC2=CC=C(C=C2)F)S1)CC3=CC=CS3 1 3.851 2 3 -2.9422561221075 16195137 CC1=CC=C(O1)C2N3CCCC3C(=O)N2C4=CC=C(C=C4)OC 1 2.89 2 3 -5.52373752511776 16195136 COCCN1C(=O)/C(=C/C2=CC=C(C=C2)F)/C(=O)NC1=O 1 1.144 2 4 0 -6.22858713099422 16195135 CCC(=NNC(=O)/C(=C/N(C)C)/C#N)CC(=O)C(F)(F)F 1 0.985 4 2 0 -9.26521224892383 16195134 CC(=NNC(=O)/C(=C/N(C)C)/C#N)CC(=O)C(F)(F)F 1 0.318 4 2 0 -9.66019309603886 16195133 COCCN1C(=O)/C(=C/C2=CC=C(C=C2)Br)/C(=O)NC1=O 1 1.687 2 4 0 -6.57512521097409 16195132 CN1[C@@H]2[C@@H](COC3=C2C4=CC=CC=C4C=C3)CO1 1 1.962 1 2 0 2.02967691407519 16195131 CC(=O)N(C)[C@H]1[C@H](COC2=C1C3=CC=CC=C3C=C2)COC(=O)C 1 1.798 1 4 0 -2.20543163707018 16195130 CNC(=S)N(C)[C@@H]1[C@@H](COC2=C1C3=CC=CC=C3C=C2)CO 1 3.033 2 2 -2.80613616993508 16195129 C1=CC=C(C=C1)N2C=NC(=N2)OC/C(=N/S(=O)(=O)C3=C(C=C(C=C3)Cl)Cl)/N 1 3.471 5 3 0 2.33687465762246 16195128 CC\1=NN(C(=O)/C1=N/NC2=CC=CC(=C2)C(F)(F)F)C3=NCCS3 1 3.254 5 1 -6.15996495998164 16195127 C1CCN(C1)C2=NN3C(=N)/C(=C\C4=CC=C(C=C4)OCC5=CC=CC=C5)/C(=O)N=C3S2 1 4.66 5 2 0 -12.6319660659962 16195126 C[N+]1(C2CCC1CC(C2)OC(=O)C3=CC=CO3)C.[Br-] Br- 1 0.354 1 3 0 -6.5273618076793 16195125 CCN1C2=CC=CC=C2C3(C1=O)/C(=C(/C4=CC=C(C=C4)OC)\O)/C(=O)C(=O)N3CCCN(C)C 1 1.991 3 5 0 -1.67577366693899 16195124 CN1C2=CC=CC=C2C3(C1=O)/C(=C(/C4=CC=C(C=C4)OC)\O)/C(=O)C(=O)N3CCCOC 1 1.373 2 6 0 -1.25799733666768 16195123 CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(N(N=C2C)CC3=CC=C(C=C3)F)C 1 2.666 6 3 0 -7.99681163124192 16195120 C[N+]12CCCCC1[C@H](CCC2)CO.[Br-] Br- 1 -7.3e-002 1 1 0 -1.06686912835422 16195118 CC(=O)N1C(C[C@]2(C1NC(=O)C2)C)C3=CC=CC=C3O 1 0.778 2 3 0 -3.86310428379494 16195116 COC1=C(C=C(C=C1)Cl)NC(=O)CN2CCCC2.Cl Cl- 1 2.065 2 2 -4.62254952409167 16195114 CC1=CC=CC=C1NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4.Cl Cl- 1 3.795 4 0 5.78759761472629 16195112 CC1=CC2=C(C=C1)N(C3=C2CCCC3)CC(CNC4CCCCC4)O.Cl Cl- 1 5.149 2 1 4.45173656982069 16195111 CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC(=C(C=C3)OC)OC)N4CCN(CC4)CCO 1 3.191 3 4 0 -12.9641458330519 16195110 COC1=CC(=CC(=C1OC)OC)/C=C(/C(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3)\NC(=O)C5=CC=CC=C5 1 2.03 3 6 0 -22.3421998113959 16195109 CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC(=CC=C3)F)N4CCN(CC4)CCO 1 3.429 3 2 -8.45807006987309 16195108 CC1CN(CCC1(C2=CC=CC=C2)OC(=O)C)C3CCCCC3.Cl Cl- 1 3.878 1 2 0.324926113062538 16195107 C1=CC(=CC=C1NN/C=C\2/C=C(C=N2)C(=O)CCl)F 1 1.571 3 1 0 0.392200332089817 16195105 CC1=CC=C(C=C1)S(=O)(=O)/C(=C\N(C)C)/C2=CN=C(S2)Cl 1 2.754 2 2 -3.57903214433417 16195104 CC1CN(CC(O1)C)C2=NC(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/N2 1 1.414 3 4 0 -12.2908364554346 16195103 CN(C)/C=C\C(=C/C(=O)C(F)(F)F)\NC1=CC=CC=C1OC2=CC=CC=C2 1 4.256 2 2 -2.36081299189108 16195102 C/C(=C\1/CCOC1=O)/NC2=CC=CC=C2C(F)(F)F 1 2.985 1 2 -3.66576299192737 16195101 CC1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)NC)O.Cl Cl- 1 2.742 3 2 0.886107265314319 16195098 CN1CCN(CC1)C2=C(C=C(C=C2)N)Cl.Cl Cl- 1 1.867 3 0 0 8.1437254254561 16195097 CCOC1=CC=C(C=C1)CNCCNC(=O)C2=NON=C2N.Cl Cl- 1 0.582 5 3 0 -14.0782748853334 16195094 C1=CC(=C(C=C1Cl)Cl)NC(=O)C(=O)N/N=C(/CN2C=NC=N2)\N 1 0.338 7 2 0 -10.8595931447107 16195093 CC1(C2CCC(C2)C1(C)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4)C.Cl Cl- 1 3.32 3 1 -2.42771829215924 16195091 C1=CC(=CC(=C1)NC(=O)C(=O)N/N=C(/CN2C=NC=N2)\N)C(F)(F)F 1 -4.8e-002 7 2 0 -8.55295619038233 16195089 CC(=O)N1C(C[C@]2(C1NC(=O)C2)C)C3=CC=CC=C3OC(=O)C 1 0.788 2 4 0 -7.61538002142716 16195088 COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)Cl)OC)NC(=O)CN3CCCCC3.Cl Cl- 1 3.289 3 4 0 -10.4489750165215 16195087 CC1=C[N+](=C(C=C1)C)CC(=O)N2CCCCC2.[Br-] Br- 1 2.249 2 1 -6.20040248990223 16195086 C1=CC=C2C(=C1)C(OC2=O)/C(=C\NC3=C(C=C(C=C3)F)F)/[N+](=O)[O-] 1 3.013 2 4 -1.17557618560183 16195085 C[N+]1(CCOCC1)CC(=O)NNC2=C3C=CC=CC3=NC4=CC=CC=C42.[Br-] Br- 1 0.834 4 2 0 -1.9105124955092 16195082 CC1C(=NNC1=O)C(=O)NN=C/C(=C/C2=CC=CC=C2)/Br 1 1.615 4 2 0 -15.3551976019432 16195080 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C=NNC(=O)C2=CC=C(C=C2)N 1 2.191 4 3 0 -1.56004434739777 16195078 CC1CC(CN(C1)CC(=O)N2CCOCC2)C.Cl Cl- 1 0.829 2 2 0 -12.2269948663389 16195077 C1=CC(=CC(=C1)Cl)CN2C=CC(=N2)N 1 2.52 3 0 -2.35104116528916 16195076 C[N+]1(C2CCC1CC(C2)OC(=O)C3=CC=CC=C3)C.[Br-] Br- 1 0.959 1 2 0 -8.49042161318716 16195073 C1=CC(=C(C=C1Cl)Cl)C(=O)N/N=C(/CN2C=NC=N2)\N 1 1.072 6 1 0 -7.94957644780044 16195072 CC[N+]1=C(SC2=C1C=CC3=C2C=CS3)C.[I-] I- 1 3.821 1 0 2.23341667626616 16195070 CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2COC4=CC=C(C=C4)OC)C)C(C)C.[Cl-] Cl- 1 6.576 2 4 -1.20558317532761 16195069 CC1=NNC(=O)C1CC(=O)NN=C/C(=C/C2=CC=CC=C2)/C 1 1.011 4 2 0 -17.9330913456046 16195066 COC1=CC=CC=C1CNCC(=O)NC2=CC=CC=C2N3C=CC=C3.Cl Cl- 1 2.863 3 2 -7.19968398923096 16195065 CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC(=CC=C3)Cl)N4CCN(CC4)CCO 1 3.888 3 2 -7.74300639447236 16195064 CN(C)/C=C(\C#N)/C(=O)NN=C(CC(=O)C(F)(F)F)C1=CC=CO1 1 1.387 4 3 0 -8.30231075343981 16195063 CC1(C2CCC(C2)C1(C)NC(=O)CNCC3CCCCC3)C.Cl Cl- 1 3.432 2 1 -5.40105968262313 16195059 CC1(C2CCC(C2)C1(C)NC(=O)CNCC3=CC=CS3)C.Cl Cl- 1 2.567 2 1 -5.61221486392282 16195058 C1=CC=NC(=C1)/C(=N/NC(=O)C2=C(C=CS2)OCC3=C(C=C(C=C3)Cl)Cl)/N 1 4.053 4 2 -5.35254330537211 16195057 C/[N+](=C\C1C(=O)CCCC1=O)/[O-] 1 -0.728 1 3 0 -3.60983504248568 16195056 CC(C)C1C(C(C2=CC=CC(=C2N1)C(=O)[O-])NC3=CC=CC=C3C(=O)[O-])(C)C.[K+] K+ 1 1.324 2 4 0 -5.61544326287031 16195055 C1C2CC3CC1CC(C2)(C3)NC(=O)CNCC4=CC=CS4.Cl Cl- 1 2.31 2 1 -7.26248988469478 16195052 C1=C(C=NC(=C1Cl)NCCCC(=O)N/N=C(/CC#N)\N)C(F)(F)F 1 1.546 6 1 0 -6.98892693347113 16195051 C/C(=C/C(=O)NC1=CC(=CC=C1)F)/N2CCCC2 1 2.285 2 1 -2.03447953078871 16195050 CC(C)CC1=C(C=C(O1)C(=O)O)CN2CCOCC2.Cl Cl- 1 -0.898 1 4 0 -2.25211596848883 16195049 CCCN1C2=C(N=C1NN=C/C=C/C3=CC=CC=C3)N(C(=O)NC2=O)C 1 2.45 6 2 0 -3.16076533862519 16195048 C1=CC(=CC=C1N/N=C\2/C(=NC(=NC2=O)N)N)Cl 1 1.427 6 1 0 -1.04767391254408 16195047 CC1=NN=C(N1N)NN=CC2=CC=C(O2)C3=CC=C(C=C3)Br.Cl Cl- 1 2.439 6 1 0 -3.51373050153955 16195046 C1=CC=C(C=C1)/C=C/C(C=NO)S(=O)(=O)C2=CC=CC=C2 1 3.113 1 3 -1.47192792185664 16195045 CC1=C[N+](=CC=C1)C\2=NC(=O)S/C2=C\[O-] 1 1.544 2 2 0 -3.91291417524368 16195044 CN(C)/C=C(\C#N)/C(=O)NN=CC1=CC=C(C=C1)Cl 1 1.677 4 1 0 -6.98950866515832 16195043 CN(C)/C=C(\C#N)/C(=O)NN=CC1=CC=C(C=C1)F 1 1.218 4 1 0 -8.09963033027988 16195042 CN(C)/C=C(\C#N)/C(=O)NN=CC1=CC=CC=C1 1 1.012 4 1 0 -8.98345117282949 16195041 CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5 1 4.41 3 3 -6.65100890889761 16195040 CC(C(C1=CC=CS1)N2CCOCC2)NC(=S)NC3=CC=CC=C3OC 1 4.158 3 2 -10.6158061949806 16195039 CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)OC3=CC=CC=C3 1 3.874 3 2 -4.8112321627223 16195038 CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)NCC4=CC=CC=C4)N=N2 1 2.404 6 2 0 -20.2605283668985 16195037 CN1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5CC5.Cl Cl- 1 3.729 3 1 -3.07356668284749 16195036 CC(=O)NC1=C(C2=C(S1)CN(CC2)CC3=CC=CC=C3)C(=O)N.Cl Cl- 1 1.548 3 2 0 -7.46454097890238 16195035 COCCNC(=O)C(=O)NCC1N(CCO1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 -0.965 3 8 0 -24.2243955791238 16195034 CC(C)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCC3=CC=CC=C3.Cl Cl- 1 2.846 3 2 -15.0520573550674 16195033 CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=S)NC3=CC=CC(=C3C)C 1 5.765 4 0 -4.87325687181841 16195032 CC(C(C1=CC=CS1)N2CCOCC2)NC(=S)NC3=CC(=CC=C3)F 1 4.38 3 1 -6.29752562126397 16195031 CC1=CC=CC(=C1)C(=O)NC(C)C(C2=CC=CS2)N3CCOCC3 1 3.187 2 2 -8.23878854163504 16195030 CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O.Cl Cl- 1 0.862 4 4 0 -12.2791693266252 16195029 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCCN3C=CN=C3)C 1 0.643 5 5 0 -13.6086707258908 16195028 CC(C(C1=CC=CS1)N2CCOCC2)NC(=S)NC3CCCCC3 1 4.178 3 1 -9.42036228644668 16195027 C1COC(N1S(=O)(=O)C2=C(C=CC(=C2)F)F)CNC(=O)C(=O)NCC3=CC=CO3 1 0.557 3 6 0 -17.8325951820912 16195026 CC(C(C1=CC=CS1)N2CCOCC2)NC(=O)C3CC3 1 1.794 2 2 0 -9.15523166715661 16195025 CC1CCCCN1S(=O)(=O)C2=CN(C(=O)N(C2=O)C)C 1 -0.484 3 4 0 -14.5643460044892 16195024 CN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)NCCC4=CC=CC=C4)C(=O)N(C1=O)C 1 2.495 5 3 0 -22.5408787505671 16195023 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CO4 1 1.307 6 6 0 -15.5183886453181 16195022 CC(C)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C.Cl Cl- 1 3.698 3 1 -5.50138427489473 16195021 C1C(OC2=CC=CC=C2O1)C(=O)NNC3=NC4=C(C=CC=C4S3)F 1 2.603 3 3 -0.746394472198755 16195020 CC1=CC2=NC(=CN2C=C1)CCNC(=O)C3CC=CCC3C(=O)O 1 1.513 3 3 0 -13.5524166704308 16195019 C1COC(N1C(=O)C2=CC=C(C=C2)Cl)CNC(=O)C(=O)NCC3=CC=CO3 1 1.107 3 5 0 -13.8784451287125 16195018 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)CNC(=O)C(=O)NCCC3=CC=CC=C3 1 1.949 3 5 0 -16.9472228987658 16195017 CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=S)NC3CCCCC3 1 4.797 4 0 -8.21578698274583 16195016 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CN=CC=C3)OC 1 -0.22 4 7 0 -24.5026152957972 16195015 CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C(C)(C)C 1 4.436 3 1 -8.1075263886352 16195014 CC(C(C1=CC=CS1)N2CCOCC2)NC(=S)NC3=CC=C(C=C3)F 1 4.38 3 1 -7.27926003490439 16195013 CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3F)NC(=O)C4=CN=CC=C4 1 3.697 4 1 -5.59981074539618 16195012 CC1=C(C(=CC=C1)NC(=S)NC(C)C(C2=CC=CS2)N3CCN(CC3)C)C 1 5.417 4 0 -3.26660096836755 16195011 CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=C(C=C3)OC)NC(=O)C4=CC5=C(C=C4)OCO5 1 4.394 3 4 0 -6.70527769637473 16195010 CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=S)NC3=C(C=CC(=C3)C)C 1 5.765 4 0 -7.56076360089476 16195009 C1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)F 1 2.124 6 2 0 -19.5486513414333 16195008 CC(C)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NC4=CC=CC=C4S3.Cl Cl- 1 2.846 4 2 -9.69682904530431 16195007 CN(C)NC(=O)C1=C(SC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 0.901 4 4 0 -22.8208468250152 16195006 COC1=CC=CC=C1CNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC=CS3 1 0.734 3 6 0 -19.2907207169159 16195005 C1=CC=C(C(=C1)F)S(=O)(=O)NCC2=CN3C=CC=CC3=N2 1 1.485 3 2 0 -9.6988943551405 16195004 CN(CC1CCCO1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC=CS3 1 1.087 3 4 0 -16.4105248275003 16195003 C1C(OC2=CC=CC=C2O1)C(=O)NNC3=NC4=C(C=C(C=C4S3)F)F 1 2.809 3 3 1.45157012164396 16195002 CC(C(C1=CC=CS1)N2CCOCC2)NC(=S)NC3=CC=CC=C3 1 4.175 3 1 -8.24518542526777 16195001 COCCNC(=O)C(=O)NCC1N(CCO1)S(=O)(=O)C2=CC=CS2 1 -0.964 3 6 0 -20.8716612985288 16195000 C1COC(N1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)CNC(=O)C(=O)NCCCN4C=CN=C4 1 -1.03 5 7 0 -19.8985466395141 16194999 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 0.646 3 7 0 -28.8704477454763 16194998 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.102 3 7 0 -29.2249162596443 16194997 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCC3=CC=CC=C3 1 1.771 3 5 0 -18.7692215893526 16194996 CN(C)CCNC(=O)C(=O)NCC1N(CCO1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 -0.695 4 7 0 -18.8750722333902 16194995 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -0.127 3 8 0 -31.1830989810941 16194994 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CN=CC=C3)OC 1 0.283 4 6 0 -18.6230694344236 16194993 COC1=C2C(=C(C=C1)OC)SC(=N2)NNC(=O)C3COC4=CC=CC=C4O3 1 2.365 3 5 0 -2.73853194137133 16194992 C1COC(N1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)CNC(=O)C(=O)NCC4=CC=C(C=C4)F 1 0.955 3 7 0 -19.3069597053107 16194991 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC=CO3)OC 1 0.615 3 7 0 -18.2536667085569 16194990 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 0.185 3 7 0 -20.4570340730892 16194989 COC1=C(C=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4CCCO4)OC 1 2.63 2 6 0 -13.4076787805926 16194988 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)CCCSC5=NC=CC=N5 1 1.049 8 4 0 -12.106461931276 16194987 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC(=C(C=C3)OC)OC 1 2.681 4 5 0 -11.8071427608717 16194986 CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCC3CCCO3 1 2.99 3 3 -16.3446308143063 16194985 CN1C2=C(C(=NC(=N2)C3=CC=CC=C3OC)SCC(=O)N(C)C4=CC=CC=C4)C(=O)N(C1=O)C 1 3.263 5 4 0 -17.5161022672676 16194984 C1CN(C(OC1)CNC(=O)C(=O)NCCCN2C=CN=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 -0.548 5 5 0 -17.5294320648137 16194982 CC1=CC(=C2C(=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=NC4=CC=CC=C4S3)C.Cl Cl- 1 5.11 4 1 -2.54710473062833 16194981 C1COCCN1C(CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CO3 1 1.659 3 5 0 -17.5529251415877 16194980 C1COCCN1C(CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3 1 1.659 3 5 0 -16.1196635259855 16194979 C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)C(=O)NCC3=CC=CS3)C4=CC=CO4 1 2.72 4 3 0 -14.9356039647871 16194978 C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)C(=O)NCC3=CC=CS3)C4=CC=CO4 1 2.925 4 3 0 -13.8650295176548 16194977 COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C(=O)NCC3=CC=CS3)C4=CC=CO4 1 2.703 4 4 0 -14.9898727522642 16194976 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2 1 1.183 7 3 0 -13.2679464020785 16194975 C1CC(OC1)C(=O)N(C2CS(=O)(=O)C=C2)C3=CC=C(C=C3)F 1 1.075 1 4 0 -9.84005553512176 16194974 C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=C(C=C5)Cl 1 2.866 6 2 0 -4.29346851147909 16194973 CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=CC=CC=C5 1 2.688 6 2 0 -6.1154672020659 16194972 CCOC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 2.563 1 6 0 -8.87024398688703 16194971 CC1=NN=C2N1N=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C 1 1.668 6 3 0 -9.93987989674732 16194970 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=NN=C3N2N=C(C=C3)NCCCOC(C)C 1 1.808 6 3 0 -15.0261174201967 16194969 CCN(CC)CCNC1=NN2C(=NN=C2CCNS(=O)(=O)C3=CC=C(C=C3)C)C=C1 1 1.987 7 2 0 -13.3595359478633 16194968 CC1CC2=CC=CC=C2N1C(=O)C(=O)C3=C(N(C4=CC=CC=C43)C)C 1 3.803 2 2 -7.41653091893371 16194967 C1COCCN1CC(=O)NN=C/C(=C\C2=CC=CC=C2)/Br 1 1.525 3 2 0 -10.600712775479 16194966 COC1=CC(=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC4=CC=CC=C4OC3=O)OC 1 2.198 1 7 0 -9.94491605250012 16194965 COC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)CC3=CC=CS3 1 2.172 1 4 -7.20684030994265 16194963 CN(C)CCCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=NC4=CC=CC=C4S3.Cl Cl- 1 4.121 4 2 -5.94148532116995 16194962 C1COC(N1C(=O)C2=CC=C(C=C2)Cl)CNC(=O)C(=O)NCC3=CC=CC=C3 1 1.925 3 4 0 -12.5397733589496 16194961 COC1=CC=C(C=C1)CCNC(=O)C2CC3=CC=CC=C3C(=O)O2 1 2.843 1 4 -8.81932687315563 16194960 COC1=CC=C(C=C1)C(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.012 3 7 0 -15.6551772911261 16194959 C1CN(C(OC1)CNC(=O)C(=O)NCCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=C(C=CC(=C4)F)F 1 2.052 4 5 0 -20.3426780598283 16194957 CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)OCC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4.Cl Cl- 1 4.649 4 4 0 -21.9427441985816 16194956 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CN=CC=C3)C 1 1.334 4 5 0 -16.9815026417962 16194955 CC(CN1C2=C(N=C1N3CCN(CC3)C)N(C(=O)NC2=O)C)CSC4=NN=NN4C5=CC=CC=C5 1 1.865 10 2 0 -15.8262747126089 16194954 CCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4CCCO4 1 2.995 2 5 0 -12.48062873023 16194953 C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)C(=O)NCCCN3C=CN=C3)C4=CC=CO4 1 1.2 6 3 0 -11.8696678048233 16194951 CC1C[N+]2=C(S1)N(C(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC.[Br-] Br- 1 5.755 2 1 0.928450432204553 16194950 CC1=CC(=C(C=C1)C(C)C)OCC2=NN(C3=[N+]2CCCCC3)CC(=O)C4=CC=C(C=C4)OC(F)F.[Br-] Br- 1 6.722 3 3 -1.6775962923918 16194949 C1CC2=[N+](C1)C=C(N2C3=CC=C(C=C3)SC(F)F)C4=CC=C(C=C4)Cl.[Br-] Br- 1 6.427 2 0 4.4877678959681 16194948 C1=CC=C2C(=C1)N(C=[N+]2CC(=O)C3=CC=C(C=C3)OC(F)F)C(F)F.[Br-] Br- 1 5.64 2 2 4.63472143108067 16194947 C1COCCN1C(CNC(=O)C(=O)NCC2=CC=CO2)C3=CC=CO3 1 0.22 3 5 0 -18.3647260032441 16194946 C1=CC=C2C(=C1)N(C=[N+]2CC(=O)C3=CC=C(C=C3)Br)C(F)F.[Br-] Br- 1 5.583 2 1 3.3509426869066 16194944 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)COC3=CC=C(C=C3)Cl.Cl Cl- 1 4.352 3 2 -3.30910768975379 16194943 C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CO5 1 2.748 4 5 0 -13.6852118333103 16194942 C1C(C=CS1(=O)=O)N(C2=CC=C(C=C2)Br)C(=O)CC3=CC=CS3 1 2.937 1 3 -6.42853515531313 16194941 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)N3CC4CC(C3)C5=CC=CC(=O)N5C4 1 1.447 3 3 0 -4.55202590198716 16194940 COC1=CC=C(C=C1)N2CC([N+]3=C2CCCC3)(C4=CC=C(C=C4)F)O.[Br-] Br- 1 3.46 2 2 -3.83121112078637 16194939 CC1=CC=C(C=C1)N2CC([N+]3=C2CCCC3)(C4=CC=CS4)O.[Br-] Br- 1 3.711 2 1 -8.22170037878744 16194938 C/C=C/C=NNC1=NC(=O)C=C(N1)C 1 0.735 4 1 0 -10.029878937677 16194937 CC1=CSC(=[N+]1CC=C)NC2=CC=C(C=C2)C(=O)O.[Br-] Br- 1 2.566 2 2 -7.78283636374022 16194936 C1CC(=O)N(C1=O)CC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)CN4C(=O)CCC4=O 1 0.244 4 6 0 -12.162595732471 16194935 CC1=CSC(=[N+]1C2=CC=CC=C2)NC3=CC=CC=C3.[Br-] Br- 1 3.896 2 0 -4.19790759975216 16194934 C1CC(=N)N(C1)CC(=O)C2=CC=CS2.Br Br- 1 1.098 2 1 0 -10.6168083408986 16194933 CC1=CC=C(C=C1)N2C3=[N+](CCC3)C=C2C4=CC=CC=C4.[Br-] Br- 1 4.885 2 0 3.06062467401858 16194932 CN1CCN(CC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O.Cl Cl- 1 3.808 2 2 4.41472565903092 16194931 CNC(=O)C(=O)NCC1N(CCO1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 -0.834 3 7 0 -21.5663996342 16194930 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCCCN3C=CN=C3)OC 1 -0.786 5 7 0 -22.6645221453784 16194929 COC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 2.214 1 6 0 -8.104020835179 16194928 CCCCN/C=C\1/C(=NN(C1=S)C2=CC=CC=C2)C 1 3.386 3 0 -8.30027356103184 16194927 CC(=O)NCC(C1=CC=CO1)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.026 3 3 -9.26234034814334 16194926 CC1=CC=C(C=C1)C2=NN3C(=NN=C3SCC(=O)NCC4CCCO4)C=C2 1 3.072 5 2 0 -21.4005287502029 16194925 COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4 1 2.965 6 2 0 -19.2668585885575 16194924 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 2.62 6 3 0 -16.2610459431901 16194923 C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)C(=O)NCC3=CC=NC=C3)C4=CC=CO4 1 1.829 5 3 0 -12.5139623468612 16194922 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)NN=CC2=CC=CO2 1 0.255 4 5 0 -18.2607057641388 16194921 CN1CCN(CC1)C2=NC3=C(N2CCCSC4=NN=NN4C5=CC=CC=C5)C(=O)NC(=O)N3C 1 1.416 10 2 0 -17.8288592112359 16194920 C1=CC(=CN=C1)C(=O)NCCOC(=O)C2=CC=C(C=C2)F.Cl Cl- 1 1.597 2 3 0 -11.1073423011292 16194919 CCOC1=CC=C(C=C1)N2CC([N+]3=C2CCCC3)(C4=CC=C(C=C4)F)O.[Br-] Br- 1 3.809 2 2 -4.59743427249439 16194868 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NO 1 1.901 5 4 0 -21.0891610530065 16194869 CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)C.Cl Cl- 1 3.503 4 3 0 -7.54965258884479 16194871 C1CN(C(C2=CC=CC=C21)C3=CC=CS3)CCC(=O)O.Cl Cl- 1 0.132 1 2 0 -12.6776301080768 16194872 COC(=O)NCC(C1=CC=CO1)N2CCN(CC2)C3=CC=CC=C3 1 2.685 3 3 -9.81900448727987 16194873 COC1=CC=CC=C1CNC(=O)C(=O)NCC(C2=CC=CO2)N3CCOCC3 1 1.022 3 5 0 -18.5800511018555 16194874 C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CO5 1 3.475 3 4 0 -12.3570294581576 16194875 C1COCCN1C(CNC(=O)C(=O)NCCC2=CC=CC=C2)C3=CC=CO3 1 1.359 3 4 0 -17.2655358107096 16194876 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2 1 2.312 6 3 0 -14.3078026809057 16194877 COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C(=O)NCC3=CN=CC=C3)C4=CC=CO4 1 1.813 5 4 0 -14.6645103104964 16194878 COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)OC)C3=CC=CO3 1 2.669 3 4 0 -9.70450042584756 16194879 COC1=CC(=C(C=C1)NC(=O)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2)OC 1 2.312 6 3 0 -16.2151705595726 16194880 CCC(C(=O)OC)SC1=NN2C(=NN=C2C3=CN=CC=C3)C=C1 1 2.423 5 2 0 -12.3969892138153 16194881 CC(C)C(=O)NC1=NN=C(S1)SCC(=O)NCC2CCCO2 1 1.055 4 3 0 -29.9009286406922 16194882 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)CCSC4=CC=CC=C4.Cl Cl- 1 4.057 3 3 -7.88313291156823 16194884 CC1=CC(=C2C(=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(S3)Br)C.Cl Cl- 1 5.141 3 1 -2.62260122526972 16194886 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)CCOC3=CC=CC=C3.Cl Cl- 1 3.936 3 2 -6.83626689531092 16194918 COC1=CC(=C(C=C1)OC)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4CCCO4 1 2.63 2 6 0 -10.6485606622964 16194917 CC1=CC(=C(C=C1)C)N2CC([N+]3=C2CCCC3)(C4=CC=CS4)O.[Br-] Br- 1 4.197 2 1 -7.40743056458215 16194916 C1COCCN1C(CNC(=O)C(=O)NCC2=CC=CC=N2)C3=CC=CO3 1 0.102 4 4 0 -18.2575806550933 16194915 C1=CC(=CN=C1)CSC2=NN=C3N2N=C(C=C3)C4=CC=CO4 1 2.995 5 1 -9.3557988641643 16194914 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 4.273 3 1 -5.10515400085405 16194913 CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)/C=C/C4=CC=CO4)OC 1 2.444 2 7 0 -23.1085461868452 16194912 COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C(=O)NCCCN3C=CN=C3)C4=CC=CO4 1 1.184 6 4 0 -11.9239365923004 16194911 C1CN(CCN1C2=CC=CC=C2F)C(CNC(=O)C(=O)NCC3=CC=CS3)C4=CC=CO4 1 2.925 4 3 0 -14.1010894231308 16194910 COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CO5 1 2.731 4 6 0 -13.7394806207874 16194909 CCC(=O)NCC(C1=CC=CO1)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.693 3 3 -11.0116748718091 16194908 COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CO5 1 3.458 3 5 0 -12.4112982456347 16194907 COC1=CC=C(C=C1)C(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC=C(C=C3)Cl 1 1.909 3 5 0 -12.1379246633141 16194906 CCN1CCN(C(=O)C1=O)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)C 1 2.184 4 3 0 -11.3581824766778 16194905 CCN1CCN(C(=O)C1=O)CC(=O)N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC 1 1.712 4 5 0 -13.2006329635532 16194904 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN3C(=NN=C3C4=CC=CC=N4)C=C2 1 1.611 7 3 0 -12.3696844077567 16194903 CCOC1=CC=C(C=C1)N2C3=[N+](CCC3)C=C2C4=CC=CC=C4.[Br-] Br- 1 4.731 2 1 1.88143531316641 16194902 CC(C)(C)C(=O)NCC(C1=CC=CO1)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.572 3 3 -13.9377426844176 16194901 C1COCCN1C(CNC(=O)C(=O)NCC2=CC=CC=C2Cl)C3=CC=CO3 1 1.702 3 4 0 -17.416466492129 16194900 CCN1CCN(C(=O)C1=O)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC 1 1.665 4 5 0 -15.9429748265229 16194899 CCN1CCN(C(=O)C1=O)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)OC 1 1.681 4 4 0 -11.771148685822 16194897 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl Cl- 1 5.16 3 2 -7.14553242961329 16194896 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)COC3=CC=CC=C3.Cl Cl- 1 3.688 3 2 -5.7167346188342 16194895 CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)CC3=CC=CC=C3.Cl Cl- 1 4.014 3 2 -9.29862320113427 16194894 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=CO3.Cl Cl- 1 3.247 3 2 -5.04227910343932 16194893 CN(C)CCCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)COC3=CC=CC=C3.Cl Cl- 1 4.146 3 2 -5.46370374258836 16194891 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O.Cl Cl- 1 3.012 4 3 0 -12.5187643469723 16194889 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(S4)Br.Cl Cl- 1 3.936 3 3 -5.22198153488357 16194887 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC(=CC=C4)N5C(=O)CCC5=O.Cl Cl- 1 2.575 4 5 0 -15.1000133406803 16194866 CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(S3)Br)C.Cl Cl- 1 5.141 3 1 -3.84400736008453 16194864 CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=NC4=CC=CC=C4S3)C.Cl Cl- 1 5.11 4 1 -3.98607010347495 16194862 CC1=CC(=C2C(=C1)N=C(S2)N(CCCN(C)C)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)C.Cl Cl- 1 3.503 4 3 0 -6.32824645402998 16194860 CC1=CC(=C2C(=C1)N=C(S2)N(CCCN(C)C)C(=O)COC3=CC=C(C=C3)Cl)C.Cl Cl- 1 5.119 3 2 -2.24131499357498 16194859 C1CC(OC1)CNC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3 1 2.658 3 2 -15.6399578697693 16194858 C1CSC2=NC(=CN21)C3=CC(=CC=C3)NC(=O)CC4=CC=C(C=C4)Br 1 4.34 3 1 0.263718546614761 16194857 COCCNCC(CON=C1C2=CC=CC=C2C3=CC=CC=C31)O 1 1.99 2 3 0 -1.66114302861146 16194856 CC1=CC=CC=C1OCC(CN(CCO)CC2=CC=CC=C2)O.Cl Cl- 1 2.971 1 3 -0.113614536660406 16194855 COC1=CC=CC=C1CCNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 2.965 6 2 0 -21.6590478503953 16194854 C1=CC(=CN=C1)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 2.45 6 0 -9.47429359503677 16194853 COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 2.965 6 2 0 -17.2962118403039 16194852 C1=CC=NC(=C1)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 2.665 6 0 -7.155808864597 16194851 CN1C(=O)C2C(C1=O)N(N=C2C3=CC=C(C=C3)N(C)C)CC4=CC=CC=C4 1 2.22 4 2 -2.79137832523526 16194850 CC1=CC=C(O1)C=NNC(=O)COC2=NC(=C(C(=C2C#N)COC)Br)C 1 2.161 4 4 0 -11.1110129127197 16194849 CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=CO5)N(C(=O)NC3=O)C 1 1.269 8 4 0 -14.0830478551582 16194848 COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)OC 1 3.618 3 5 0 -15.9668870296161 16194847 C1=CC=NC(=C1)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.782 4 2 -2.56514994751205 16194846 CCN1C(=CSC1=NC2=CC=C(C=C2)O)C3=CC=CC=C3.Br Br- 1 3.694 2 1 3.29006001373109 16194845 CC1=CC(=CC=C1)N2CC([N+]3=C2CCCCC3)(C4=CC=CS4)O.[Br-] Br- 1 4.167 2 1 -6.78289272607779 16194844 C1=CC=C2C(=C1)/C(=C/NNC(=O)CNC(=O)C3=CC=CO3)/C=N2 1 0.139 4 3 0 -9.10811844765175 16194843 COC1=CC=C(C=C1)N2CC([N+]3=C2CCCC3)(C4=CC=C(C=C4)OC(F)F)O.[Br-] Br- 1 4.06 2 3 -2.69742089304606 16194842 CCOC(=O)C(C)SC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.48 3 5 0 -19.1487412872512 16194841 CC1=CC=C(C=C1)N2CC([N+]3=C2CCCC3)(C4=CC=C(C=C4)OC)O.[Br-] Br- 1 3.741 2 2 -4.54308814625162 16194840 C1CSC2=[N+]1C(CN2C3=CC=CC=C3)(C4=CC=C(C=C4)[N+](=O)[O-])O.[Br-] Br- 1 3.474 3 3 -7.1961462716604 16194839 COC1=CC(=C(C=C1)OC)N2CC([N+]3=C2SCCC3)(C4=CC=CS4)O.[Br-] Br- 1 3.563 2 3 -10.0567797396149 16194838 CCC1=CC=C(C=C1)N2CC([N+]3=C2SCCC3)(C4=CC=CS4)O.[Br-] Br- 1 4.538 2 1 -10.6830930315875 16194837 C1C[N+]2=C(N(CC2(C3=CC=CS3)O)C4=CC=C(C=C4)Cl)SC1.[Br-] Br- 1 4.26 2 1 -8.62165620522157 16194836 COC1=CC=C(C=C1)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCCCN3C=CN=C3 1 -0.77 5 6 0 -18.654275299423 16194835 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)C(=O)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.996 4 5 0 -23.7944298060726 16194834 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CC=CC=N3)C 1 1.549 4 5 0 -16.6633668348347 16194833 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CC=NC=C3 1 0.848 4 5 0 -16.7148560827668 16194832 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CN=CC=C3 1 0.848 4 5 0 -18.7137410324001 16194831 CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3CCNS(=O)(=O)C4=CC=C(C=C4)OC)C=C2 1 1.628 7 5 0 -28.2137565458907 16194830 C1CN(C(OC1)CNC(=O)C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 0.872 3 6 0 -18.6930871654965 16194828 CCN(CC)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5.Cl Cl- 1 4.084 4 5 0 -19.8778915362025 16194827 C1CCC(C1)NC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=CC=C4 1 3.187 6 1 0 -20.1475637140323 16194826 CCC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 2.64 4 2 -13.0770609657757 16194825 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4)OC 1 2.948 6 3 0 -23.2649733169266 16194824 C1CCCC(CC1)NC(=O)C(=O)NCC2N(CCCO2)S(=O)(=O)C3=C(C=CC(=C3)F)F 1 2.168 3 5 0 -19.2072693587044 16194822 CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCCN(C)C)C2=NC3=CC(=CC(=C3S2)C)C.Cl Cl- 1 5.414 4 3 0 -14.2825906284767 16194820 CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)C.Cl Cl- 1 4.516 4 3 0 -10.0256223894281 16194818 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C.Cl Cl- 1 2.969 4 3 0 -8.62152920688523 16194817 COC1=CC=C(C=C1)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CC=CO3 1 0.192 3 7 0 -20.9280520652275 16194816 C1COC(N1S(=O)(=O)C2=CC=CS2)CNC(=O)C(=O)NCC3=CC=CC=C3Cl 1 1.415 3 5 0 -18.1271361071893 16194815 CCN(CC)CCNC(=O)C(=O)NCC1N(CCO1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.e-003 4 7 0 -21.3642644471851 16194814 COC1=CC=C(C=C1)N2CCN(CC2)C(CNS(=O)(=O)C)C3=CC=CO3 1 1.816 3 4 0 -8.73570410127349 16194813 COC1=CC=C(C=C1)NCC2=NN(C3=[N+]2CCCCC3)CC(=O)C4=CC=C(C=C4)Br.[Br-] Br- 1 4.793 4 2 -5.52960769110376 16194812 CCN(CC)C(=O)CSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=C(C=C3)C 1 2.887 5 3 0 -16.5968353314811 16194811 COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4)OC 1 2.62 6 3 0 -18.9298542667089 16194810 C1=CC=NC(=C1)CSC2=NN=C3N2N=C(C=C3)C4=CC=CS4 1 3.769 5 0 -9.74409814305991 16194809 C1CC(OC1)CNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4 1 1.864 6 2 0 -21.9034565677637 16194808 C1=CC=NC(=C1)CSC2=NN=C3N2N=C(C=C3)C4=CC=CO4 1 3.211 5 1 -7.03731413372454 16194807 CC1=C(C=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4CCCO4)C 1 3.635 2 4 -8.32547484619984 16194806 COC1=C(C=C(C=C1)C2=CN3C=CC=NC3=N2)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 2.851 4 5 0 -8.69506960182804 16194805 COC1=CC=C(C=C1)NC(=O)CSC2=NCCN2.Cl Cl- 1 1.274 3 2 0 -13.5227191785928 16194804 C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)C(=O)NCC3=CC=CC=N3)C4=CC=CO4 1 2.25 5 3 0 -13.2215312689254 16194803 C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)C(=O)NCCCN3C=CN=C3)C4=CC=CO4 1 1.406 6 3 0 -10.799093357691 16194802 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NO)CNC(=O)C3=CC=CS3 1 2.35 5 3 0 -18.4624784338855 16194801 CCOC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3.[Br-] Br- 1 3.814 2 3 -10.5689485632029 16194800 C1CSC2=[N+]1C(=CN2C3=CC=C(C=C3)F)C4=CC=CC=C4.[Br-] Br- 1 4.851 2 0 2.189906694739 16194799 CCN1CCN(C(=O)C1=O)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F 1 1.903 4 3 0 -10.6463054512126 16194798 CC1CCC(C(C1)OC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=C(C=C4)OC)C(C)C.[Cl-] Cl- 1 5.651 2 3 4.47389960836453 16194797 C1COCCN1C(CNC(=O)C(=O)NCC2=CC=C(C=C2)F)C3=CC=CO3 1 1.243 3 4 0 -15.2435558096554 16194796 C1COCCN1C(CNC(=O)C(=O)NCC2=CN=CC=C2)C3=CC=CO3 1 -0.113 4 4 0 -18.5757164620548 16194795 C1=CC=C(C=C1)N2C=CN=C2SCC(=O)NO 1 1.449 3 2 0 -4.44710629376414 16194794 COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NO 1 1.433 3 3 0 -4.19357999232065 16194793 C1=CC(=CC(=C1)Cl)N2C=CN=C2SCC(=O)NO 1 2.114 3 2 -1.33738121500274e-002 16194792 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CN=CC=C4)C 1 4.162 5 0 -6.08775963190029 16194791 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)COC3=CC=CC=C3F 1 1.862 3 4 0 -9.03868409782477 16194790 C1CN(CCN1C2=CC=CC=C2F)C(CNC(=O)C(=O)NCC3=CC=CC=C3)C4=CC=CO4 1 3.185 4 3 0 -12.1386712562209 16194789 COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C(=O)NCC3=CC=NC=C3)C4=CC=CO4 1 1.813 5 4 0 -12.5682311343383 16194788 C1CC(OC1)CNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=C4 1 2.586 5 2 0 -21.8750451665181 16194787 C1=CC=NC(=C1)CSC2=NN=C3N2N=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.71 6 2 0 -9.18347482390763 16194786 C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN3C(=NN=C3SCC4=CN=CC=C4)C=C2 1 3.495 6 2 0 -11.5019595543474 16194785 C1=CC(=CN=C1)CSC2=NN=C3N2N=C(C=C3)C4=CC=CS4 1 3.554 5 0 -12.0625828734997 16194784 CC1=CC(=C(C=C1)C(C)C)OCC2=NN(C3=[N+]2CCCCC3)CC(=O)C4=CC=C(C=C4)Cl.[Br-] Br- 1 6.58 3 2 -2.16021827209347 16194783 CC1CSC2=[N+]1C(=CN2C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4.[Br-] Br- 1 5.965 2 0 6.77637075745001 16194782 C1CN=C(N1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F.Cl Cl- 1 2.233 3 1 -8.74394037982395 16194781 C1CC(OC1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4)F)F 1 3.073 2 4 -7.24172084268177 16194780 COC1=CC=CC=C1CCNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4 1 2.965 6 2 0 -23.7270888251738 16194779 CC1=C(C2=CC=CC=C2N1C)C(=O)C(=O)NCC3CCCO3 1 1.927 2 3 0 -11.4270183226816 16194778 CC(C)(CO)NCC(CN1C=C(C2=CC=CC=C21)C=O)O 1 1.224 2 3 0 -2.81759657533149 16194777 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)NCC3CCCO3 1 1.721 2 3 0 -7.50315916241471 16194776 CCOC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3CCCO3 1 1.202 1 5 0 -11.7311219214392 16194774 CN(C)CCN(C1=NC2=CC3=C(C=C2S1)OCCO3)C(=O)C4=CC=C(S4)Br.Cl Cl- 1 3.892 3 3 -5.76625492791769 16194773 C1CCC2=[N+](CC1)C(=NN2CC(=O)C3=CC=C(C=C3)Cl)C4=NN(C5=[N+]4CCCCC5)CC(=O)C6=CC=C(C=C6)Cl.[Br-] Br- 1 6.782 6 2 0 -2.12719399460312 16194772 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 3.e-002 4 4 0 -13.3269557292655 16194771 CN1C(=C(C(=O)N(C1=O)C)S(=O)(=O)NCCC2=CC(=C(C=C2)OC)OC)N 1 -0.333 4 6 0 -14.7555048606096 16194770 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)NC(=O)NCC4=CN=CC=C4 1 0.526 4 4 0 -14.8282502646099 16194769 COC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.126 4 3 0 -8.14337625413947 16194768 CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=CO3.Cl Cl- 1 3.528 3 2 -3.10680529649237 16194766 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)C(=O)C.Cl Cl- 1 4.686 3 2 -3.85318817057703 16194765 CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 3.989 3 2 -4.84370990514134 16194764 CCN(CC)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=COCCO4.Cl Cl- 1 1.964 3 5 0 -7.19070213862212 16194763 C1=CC=C(C=C1)C(=O)NCCC2=NN=C3N2N=C(C=C3)SCC(=O)NC4=CC=CC=C4F 1 3.009 6 2 0 -22.8927665299928 16194762 CC1=CC=C(C=C1)NC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 1.931 3 5 0 -17.1659375407866 16194761 COC1=C(C=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC4=CN=CC=C4)OC 1 2.929 3 3 -18.1186313113748 16194760 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NC3CCCCC3 1 2.736 3 4 0 -19.5961335094184 16194759 CC1=CC=CC=C1NC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 1.931 3 5 0 -19.8990433137912 16194758 CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(S3)Cl.Cl Cl- 1 4.545 3 1 0.867338189602349 16194757 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=CC=CO3.Cl Cl- 1 3.79 3 2 -2.7904664931519 16194755 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3COC4=CC=CC=C4O3.Cl Cl- 1 3.625 3 3 -1.9220777954227 16194754 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=CO3.Cl Cl- 1 3.247 3 2 -3.26175252948896 16194752 CCN(CC)CCN(C1=NC2=CC3=C(C=C2S1)OCCO3)C(=O)C4=CC=C(C=C4)N5C(=O)CCC5=O.Cl Cl- 1 3.228 4 5 0 -14.8704321272204 16194750 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl Cl- 1 4.16 4 4 0 -6.83876328259281 16194749 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.75 3 6 0 -24.1875600360587 16194748 CN1C(=C(C(=O)N(C1=O)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)N 1 -1.722 5 6 0 -20.9284737794991 16194747 CC1=CC(=NO1)NC(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 0.808 4 5 0 -19.5472446316737 16194746 COC1=C(C=C(C=C1)CCNC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4)OC 1 1.74 3 7 0 -24.8980655285479 16194745 C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NCCCN4C=CN=C4 1 1.866 5 3 0 -16.5701656747916 16194744 CC1=CC(=CC=C1)NC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 1.931 3 5 0 -15.3756862139822 16194743 CN(C)CCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 3.989 3 2 -5.08011633433151 16194741 CN(C)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(C=C4)N5C(=O)CCC5=O.Cl Cl- 1 2.513 4 5 0 -13.149324199873 16194740 CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 4.035 3 3 -3.74777235813394 16194739 CN(C)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=C(C=C3)C(=O)OC.Cl Cl- 1 4.104 3 3 -6.11451472123805 16194737 CN(C)CCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=C(SC(=C3)Cl)Cl.Cl Cl- 1 4.148 3 2 -3.48233774388063 16194735 CC1=CC(=C2C(=C1)N=C(S2)N(CCN(C)C)C(=O)C3=C(SC(=C3)Cl)Cl)C.Cl Cl- 1 5.137 3 1 -0.867378333302091 16194734 CC1=CC(=C2C(=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC=CC=C3OC)C.Cl Cl- 1 4.54 3 2 -4.91013773280457 16194733 CC(=O)C1=CC=C(C=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3Cl.Cl Cl- 1 3.989 3 2 -6.74402048666266 16194731 CCOC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C3=CC=C(S3)Br.Cl Cl- 1 4.438 3 2 -6.60410573993549 16194730 C1CCN(CC1)C2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4.Cl Cl- 1 0.427 6 2 0 -1.71393668202842 16194728 CN(C)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=C(SC(=C3)Cl)Cl.Cl Cl- 1 4.132 3 3 -2.9811339585615 16194727 CN(C)CCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 3.989 3 2 -5.72933264521275 16194726 CN(C)CCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)CCC3=CC=CC=C3.Cl Cl- 1 4.486 3 1 -3.62735549248838 16194725 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)CCOC3=CC=CC=C3.Cl Cl- 1 4.571 3 2 -4.43051933460521 16194724 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)C(=O)C(=O)N3CCC4=CC=CC=C43 1 3.243 3 3 -18.6260095223956 16194723 C1CC1C(=O)NC2=NN=C(S2)SCC3=CC(=O)C(=CO3)OC(=O)C4=C(C=CC=C4F)F 1 2.598 3 5 0 -17.6582695717872 16194722 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC4=C(CCCC4)C=C3.Cl Cl- 1 6.001 3 1 -5.17234534437664 16194721 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(C=C3)C4=CC=NC=C4 1 2.984 5 1 -4.69649860568804 16194720 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)C(=O)C(=O)NCC3COC4=CC=CC=C4O3 1 2.849 3 5 0 -19.3728323149211 16194719 C1CN(C(OC1)CNC(=O)C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F 1 0.414 3 6 0 -19.8032088306181 16194718 CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3CCNC(=O)C4=CC=CC=C4)C=C2 1 1.942 7 3 0 -30.6530175806335 16194716 CCN(CC)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(S4)Br.Cl Cl- 1 4.571 3 3 -4.59676054812822 16194715 C1CN(C(OC1)CNC(=O)C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 0.54 4 5 0 -19.0624898913633 16194714 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.23 3 6 0 -22.0632865476364 16194713 C1=CC=C(C=C1)C(=O)NCCC2=NN=C3N2N=C(C=C3)SCC(=O)NC4=CC=CC=C4 1 2.803 6 2 0 -21.9191879863883 16194712 CC1=CC=C(C=C1)C(=O)NCCC2=NN=C3N2N=C(C=C3)SCC(=O)NC4=NOC(=C4)C 1 2.428 7 3 0 -30.045666607458 16194711 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN3C(=NN=C3CCNC(=O)C4=CC=CC=C4)C=C2 1 1.641 7 4 0 -23.4321692380708 16194710 COC1=C(C=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC4=CC=CC=N4)OC 1 3.144 3 3 -15.8001465809351 16194709 CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)C)C5=C(C=C(C=C5)OC)OC 1 3.927 5 4 0 -8.52262388071802 16194707 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)COC3=CC=C(C=C3)Cl.Cl Cl- 1 4.13 3 3 -4.11405483513052 16194705 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=NC4=CC=CC=C4S3.Cl Cl- 1 4.121 4 2 -5.46372688650816 16194703 CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)CN3C(=O)C4=CC=CC=C4C3=O.Cl Cl- 1 3.017 4 3 0 -6.18617512155917 16194702 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)COC3=CC=CC=C3.Cl Cl- 1 4.146 3 2 -2.19967042619899 16194701 CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)COC3=CC=C(C=C3)Cl.Cl Cl- 1 4.633 3 2 -2.00184943457939 16194700 CC1=C(C=C(C=C1)C(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)Cl)C.Cl Cl- 1 5.284 3 1 -0.829548204901392 16194699 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=CO3.Cl Cl- 1 3.706 3 2 -1.52521491080412 16194698 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC(=NCCC2=CC=CC=C2)N 1 2.447 3 4 0 -7.12174605767201 16194697 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN3C(=NN=C3CCNC(=O)C4=CC=CC=C4)C=C2 1 1.923 7 3 0 -24.65942012272 16194696 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN3C(=NN=C3CCNC(=O)C4=CC=CC=C4)C=C2 1 1.923 7 3 0 -24.5842408116405 16194695 CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3CCNC(=O)C4=CC=C(C=C4)OC)C=C2 1 1.925 7 4 0 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CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(S3)Br.Cl Cl- 1 4.654 3 1 -1.85231434102636 16194680 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)CCOC3=CC=CC=C3.Cl Cl- 1 3.936 3 2 -5.05574032136056 16194678 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)COC3=CC=C(C=C3)Cl.Cl Cl- 1 4.352 3 2 -1.62597534232821 16194676 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)CCC3=CC=CC=C3.Cl Cl- 1 4.886 3 1 -4.47453523657798 16194675 CC1=CC(=NC=C1)NC(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.544 4 4 0 -9.51780270184034 16194674 CC1CC2=CC=CC=C2N1C(=O)NC3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5 1 2.328 3 4 0 -14.0013398763924 16194673 CCN1CCN(CC1)C(=O)NC2CC(=O)N(C2)C3=CC=C(C=C3)OC 1 0.803 4 3 0 -10.8270646667709 16194672 CCOC1=CC=C(C=C1)NC(=O)NC2CC(=O)N(C2)C3=CC=C(C=C3)OC 1 2.2 3 4 0 -9.98219295927265 16194671 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3 1 1.153 3 6 0 -14.9486600980746 16194669 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)OCC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-].Cl Cl- 1 4.509 4 4 0 -8.74875572013626 16194667 CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl Cl- 1 4.16 4 4 0 -6.9777754852582 16194666 CC1=NC(=CC=C1)NC(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.341 4 4 0 -9.81185845002661 16194665 CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C.Cl Cl- 1 2.469 3 1 -1.55366635221303 16194664 COC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)NC3=CC=CC=C3 1 1.867 3 3 0 -8.81438116559428 16194663 CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC(=C(C=C3)OC)OC 1 2.654 1 5 -6.97525875186556 16194662 CN(CCC#N)C(=O)NC1CC(=O)N(C1)C2=CC=C(C=C2)OC 1 0.475 4 3 0 -10.1740287344389 16194661 CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=CO3.Cl Cl- 1 3.528 3 2 -3.73502084826492 16194659 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)OCC)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl Cl- 1 4.509 4 4 0 -7.71956664905803 16194658 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=CC=C3OC.Cl Cl- 1 4.471 3 2 -4.57060485533677 16194656 CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)OCC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-].Cl Cl- 1 4.509 4 4 0 -11.0113439680966 16194654 CCN(CC)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC(=CC=C4)N5C(=O)CCC5=O.Cl Cl- 1 3.21 4 5 0 -14.474792353925 16194653 CCN(CC)CCN(C1=NC2=CC(=CC(=C2S1)C)C)C(=O)C3=C(C=CC=C3F)F.Cl Cl- 1 5.665 3 1 -2.77842936889233 16194652 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3CC(=O)N(C3)C4=CC=C(C=C4)OC 1 2.11 4 4 0 -8.70839200121479 16194651 COC1=C(C=C(C=C1)N2CC(CC2=O)NC(=O)N3CCC4=CC=CC=C43)OC 1 2.131 3 4 0 -17.2494219620733 16194650 CC1=CC(=C2C(=C1)N=C(S2)N(CCN(C)C)C(=O)C3=C(C=CC=C3F)F)C.Cl Cl- 1 4.968 3 1 -2.50262259511336 16194649 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)C(=O)C(=O)N3CCC(=CC3)C4=CC=CC=C4 1 3.678 3 3 -17.8576767710666 16194647 CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-].Cl Cl- 1 4.16 4 4 0 -7.86795235367104 16194646 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.24 3 6 0 -20.8573027671277 16194645 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)N3CCCCCC3 1 2.457 3 4 0 -18.2684389794395 16194644 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC(=O)NC4=CC=CC=C4 1 1.445 3 5 0 -17.4910046761723 16194643 CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4O3)NC2=O 1 3.428 2 3 0.168580696706677 16194642 COC1=C(C=C(C=C1)CCNC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCC4)OC 1 2.513 3 6 0 -22.9753005646042 16194641 COC1=CC=C(C=C1)NC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 1.428 3 6 0 -17.5789037499307 16194640 COC1=CC=CC(=C1)NC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 1.428 3 6 0 -17.3195925817678 16194639 CC(C)N(C(C)C)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NC3CCCCC3 1 3.491 3 4 0 -16.2539167401604 16194638 COC1=CC=CC=C1NC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 1.428 3 6 0 -20.8660652853542 16194637 C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NCC4=CC=CO4 1 2.827 3 4 0 -19.119229871729 16194636 C1CN(C(OC1)CNC(=O)C(=O)NCCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CS4 1 1.427 4 5 0 -21.4270662289855 16194635 CC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)NCC2CCCO2)NC(=O)C3=CC=CS3 1 0.117 5 5 0 -27.8073610030869 16194634 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(S2)Cl)C3=NN4C=NN=C4C=C3 1 2.838 5 2 0 3.43834645445553 16194633 CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4O3)N(C2=O)CC(=O)NC5=CC=C(C=C5)NC(=O)C 1 3.391 4 5 0 -8.13297244701172 16194631 CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4.Cl Cl- 1 4.673 4 4 0 -15.4420508746986 16194629 CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)C.Cl Cl- 1 3.736 4 3 0 -10.4582749929468 16194628 COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCCC4=CC(=C(C=C4)OC)OC 1 3.622 4 5 0 -24.4671823878324 16194627 CC1=CC(=CC=C1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC(C)C 1 2.508 5 2 0 -18.5408900755407 16194626 CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=C(C=C3)OC)NS(=O)(=O)C 1 2.752 3 3 -3.85663382446373 16194625 CC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)N3CCC4(CC3)OCCO4 1 1.32 3 4 0 -14.9020143895862 16194624 CC(C(=O)NC1=NN=C(S1)C2=CC=CC=C2OC)SC3=NN=CN3C 1 1.986 6 2 0 -16.4747316711552 16194623 CC(=O)C(C(=O)C)SC1=NN2C(=NN=C2C3=CN=CC=C3)C=C1 1 1.221 5 2 0 -7.08414513485886 16194622 COC1=C(C=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)O)C(=S)NC3=CC=CC=C3OC)OC 1 5.795 2 5 0 -15.9301702326903 16194621 CCS(=O)(=O)NC1=CC=CC(=C1)C2=NC3=C(S2)N=CC=C3 1 2.147 3 2 1.95455960667739 16194620 CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3OC)NC(=O)C4=CC=CO4 1 4.021 3 3 -4.93287793629751 16194619 C1=CC=C(C(=C1)F)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)N=CC=C4 1 3.58 3 2 1.03901288906014 16194618 CCC1=NC2=C(C(=N1)SCC(=O)N3CCN(CC3)C(=O)OCC)C(=O)N(C(=O)N2C)C 1 0.914 6 5 0 -19.3898548205518 16194617 CCOC1=C(C=CC=N1)C(=O)NC2=CC=CC(=C2)C3=NC4=C(S3)N=CC=C4 1 3.393 4 2 -3.35753599609949 16194616 COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C(=O)NCCCN3C=CN=C3)C4=CN=CC=C4 1 0.745 7 3 0 -15.3583895485719 16194615 CN1C2=C(C=CC(=C2SC1=NC(=O)C3COC4=CC=CC=C4O3)OC)OC 1 3.553 2 5 0 -6.84607004259141 16194614 CC1=CC=C(C=C1)NC(=S)NCCC2=C(NC3=C2C=C(C=C3)OC)C 1 5.325 3 1 -5.89024272663479 16194613 C1COC(N1S(=O)(=O)C2=C(C=CC(=C2)F)F)CNC(=O)C(=O)NCCCN3C=CN=C3 1 -0.405 5 5 0 -15.5588184162868 16194612 COC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC=CO3 1 0.129 3 7 0 -20.1229657239752 16194611 CC(=O)NC1=CC=CC(=C1)C(=O)NN=CC2=C(C(=C(C=C2)OC)OC)C(=O)O 1 1.4 3 6 0 -11.8357602751204 16194610 C1C2CN(CC1C3=CC=CC(=O)N3C2)C4=C(C=C(C=C4)C(=O)O)NC(=S)NC5=C(C=C(C=C5)Cl)Cl 1 5.366 4 3 0 -7.19948921644894 16194609 CC(C(=O)OC)SC1=NN2C(=NN=C2CCNS(=O)(=O)C3=CC=CC=C3)C=C1 1 2.061 5 4 0 -18.7517168303983 16194608 C=CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)/C(=N/NC(=S)NC4=CC=CC=C4F)/C1=O 1 3 5 4 0 -28.7951713895136 16194607 CCN(CC)CCCNC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C 1 1.2 5 4 0 -31.9523385892691 16194606 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 0.476 4 7 0 -20.8861389216198 16194605 C1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=N/NC(=S)NC4=CC=CC=C4F)/C2=O 1 5.162 4 1 -5.32414429935652 16194604 CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3/C(=N/NC(=S)NC4=CC=CC=C4F)/C2=O 1 6.134 4 1 -3.9878264415164 16194603 C1COC(N1S(=O)(=O)C2=C(C=CC(=C2)F)F)CNC(=O)C(=O)NCCC3=CNC4=CC=CC=C43 1 1.99 4 5 0 -19.537591718576 16194602 C1=CC=C(C=C1)S(=O)(=O)NCCC2=NN=C3N2N=C(C=C3)SCC4=CN=CC=C4 1 2.303 6 2 0 -15.9738156681076 16194601 CCN1C2=C(C=CC(=C2SC1=NC(=O)C3COC4=CC=CC=C4O3)OC)OC 1 3.902 2 5 0 -5.85822806710161 16194600 CC1=NC2=C(N1C3=C(C=C(C=C3)F)F)C=CC(=C2)C(=O)NCC4=CN=CC=C4 1 3.44 4 1 -9.98608350662194 16194598 CC(C(C1=CC=CS1)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.298 3 5 0 -10.7255149743785 16194597 CCOC1=C(C=C(C=C1)CCNC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)OCC 1 4.032 2 5 0 -18.0755534857406 16194596 CCS(=O)(=O)NC(C)C(C1=CC=CS1)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.101 3 3 -4.92872739264737 16194595 C1=CC2=C(N=C1)SC(=N2)C3=CC=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)F)F 1 3.786 3 2 2.27852020787073 16194594 CCS(=O)(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)N=CC=C3 1 2.147 3 2 1.20325302819492 16194593 CC1=C(C=C(C=C1)C2=NC3=C(S2)N=CC=C3)NS(=O)(=O)C4=CC=CS4 1 3.647 3 2 -0.147276917395696 16194592 CC(C)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54.Cl Cl- 1 3.124 4 4 0 -26.1805947666098 16194591 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCCC2=CSC(=N2)C3=CN=CC=C3 1 1.985 3 4 0 -6.02525696011681 16194590 CCN1C2=C(C=CC(=C2SC1=NC(=O)C3COC4=CC=CC=C4O3)C)OC 1 4.404 2 4 -5.40880103566783 16194589 CC1(CC(CC(N1)(C)C)CC(=O)O)C.Cl Cl- 1 -1.409 1 2 0 -10.1771033417619 16194588 COC1=C2C(=CC=C1)SC(=NC(=O)C3COC4=CC=CC=C4O3)N2CC=C 1 4.186 2 4 -10.1279530106217 16194587 CCOC(=O)N1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3=CC=CC=C3C 1 2.214 4 4 0 -5.54173481883938 16194586 COC1=CC=CC=C1CNC(=O)C(=O)NCC2N(CCO2)C(=O)C3=CC=C(C=C3)Cl 1 1.909 3 5 0 -14.25218249438 16194585 C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)N/C=C/4\C=CC=C(C4=O)[N+](=O)[O-] 1 1.972 4 4 0 -1.94163080517877 16194584 COC1=C2C(=CC=C1)SC(=N2)NNC(=O)C3COC4=CC=CC=C4O3 1 2.381 3 4 0 -1.62238456621053 16194583 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC=CO3)OC 1 0.113 3 8 0 -24.1332125699305 16194581 CC(C(=O)O)SC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CO3 1 1.798 4 5 0 -10.777158740085 16194580 CCCS(=O)(=O)NC1=CC=CC(=C1)C2=NC3=C(S2)N=CC=C3 1 2.671 3 2 0.582326458251508 16194579 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)NCC4(C=CC(O4)OC)OC 1 0.979 4 5 0 -13.3160490668734 16194578 CC(C)C1=NN=C(S1)NC(=O)C(C)SCC(=O)OC 1 1.486 3 3 0 -14.9759094553697 16194577 CC1=C(C2=C(N1)C=CC(=C2)OC)CCNC(=S)NC3=CC=C(C=C3)OC 1 4.823 3 2 -6.33057295162326 16194576 CC1=C(C2=C(N1)C=CC(=C2)OC)CCNC(=S)NC3=CC=CC=C3OC 1 4.823 3 2 -8.06044819147772 16194575 CC1=NN=C(S1)NC(=O)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2 1 1.079 8 1 0 -18.0310934147443 16194574 CCN1CCN(CC1)C(CNS(=O)(=O)C2=CC=CS2)C3=CN=CC=C3 1 1.434 4 2 0 -17.7882238530734 16194573 C1=CC=C(C=C1)C2=NC(=CS2)CCNC(=O)C3=C(C=CC=C3F)F 1 3.876 2 1 -5.63412584224357 16194572 CC1=C(C2=C(N1)C=CC(=C2)OC)CCNC(=S)NC3=CC=C(C=C3)F 1 5.045 3 1 -4.99006910683573 16194571 C1CC(OC1)CNC(=O)C(=O)C2=CNC3=CC=CC=C32 1 1.576 2 3 0 -10.1657781849098 16194570 C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)C(=O)NCC3=CC=C(C=C3)Cl)C4=CN=CC=C4 1 3.41 5 2 0 -12.6509911088596 16194569 CN1CCN(CC1)C(CNS(=O)(=O)C2=CC=CS2)C3=CN=CC=C3 1 1.085 4 2 0 -16.1815679496225 16194568 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CS2)C3=NC4=C(S3)N=CC=C4 1 3.161 3 2 2.56714410258587 16194567 CC(C)CC(=O)NC(C)C(C1=CC=CS1)N2CCOCC2 1 2.411 2 2 -9.36919026866587 16194566 COC1=CC=C(C=C1)CCC(=O)NCC2=CN3C=CC=CC3=N2 1 2.051 3 2 -16.6346456327049 16194565 COC1=CC=C(C=C1)S(=O)(=O)NCCC2=NN=C3N2N=C(C=C3)SCC4=CN=CC=C4 1 2.286 6 3 0 -15.3933780114909 16194564 CCOC(=O)CSC1=NN2C(=NN=C2CCNS(=O)(=O)C3=CC=C(C=C3)C)C=C1 1 2.412 5 4 0 -20.5782870412299 16194563 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)/C(=N/NC(=S)NC4=CC=CC=C4F)/C1=O 1 2.383 5 4 0 -23.1002172036144 16194562 CC(C(C1=CC=CS1)N2CCOCC2)NC(=O)C(C)(C)C 1 2.582 2 2 -11.8972947945688 16194561 CC1=NN=C(S1)NC(=O)CSC2=NN3C(=NN=C3C4=CC=CC=N4)C=C2 1 1.508 8 1 0 -17.1328314204225 16194560 CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCN3CCN(CC3)CC4=CC=CC=C4)NC(=O)C 1 4.442 4 2 -6.77098793848373 16194559 COC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3)OC 1 3.151 2 5 0 -11.4878315789015 16194558 CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3OC)NC(=O)C4=CC=NC=C4 1 3.475 4 2 -7.10114901545839 16194557 CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N(C)C3=CC=C(C=C3)F 1 3.481 2 3 -3.65901862887747 16194556 COC1=CC(=C(C=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC 1 1.775 3 5 0 -22.1832710316202 16194555 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=NN=C3N2N=C(C=C3)SCC4=CN=CC=C4 1 2.789 6 2 0 -14.9804118023467 16194554 CCC(C(=O)OCC)SC1=NN2C(=NN=C2CCNS(=O)(=O)C3=CC=CC=C3)C=C1 1 2.933 5 4 0 -20.5428620098982 16194553 CC1=C(C=CC=C1NS(=O)(=O)C)C2=NC3=C(S2)N=CC=C3 1 2.284 3 2 -1.04548041535549 16194552 CC1=C(C=CC=C1NS(=O)(=O)C2=CC=CS2)C3=NC4=C(S3)N=CC=C4 1 3.647 3 2 -0.571148392164174 16194551 C1COC(N1S(=O)(=O)C2=C(C=CC(=C2)F)F)CNC(=O)C(=O)NCC3=CN=CC=C3 1 0.224 4 5 0 -18.201997907958 16194550 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC=NC=C3 1 0.299 4 5 0 -18.0805172910645 16194549 COC1=C/C(=C/NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl)/C=CC1=O 1 2.143 3 4 0 -6.45614397131817 16194548 CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=O)NN/C=C/3\C=C(C=C(C3=O)[N+](=O)[O-])Cl 1 2.388 4 5 0 -10.2653865629324 16194547 CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)NCC2CCCO2 1 -1.626 3 5 0 -15.0589737536691 16194546 C1COC(N1S(=O)(=O)C2=CC=CC=C2)CNC(=O)C(=O)NCCC3=CC=CC=C3 1 1.285 3 5 0 -19.958262690637 16194545 CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3OC)NC(=O)C4=CN=CC=C4 1 3.475 4 2 -8.36698621552843 16194544 C1=CC=C(C(=C1)CN2C3=CC=CC=C3/C(=N/NC(=S)NC4=CC=CC=C4F)/C2=O)Cl 1 5.826 4 1 -5.13954695449157 16194543 C1=CC=C2C(=C1)/C(=N/NC(=S)NC3=CC=CC=C3F)/C(=O)N2CC4=CC(=CC=C4)Cl 1 5.826 4 1 -2.44068942985281 16194542 CC1=CC=CC=C1CN2C3=CC=CC=C3/C(=N/NC(=S)NC4=CC=CC=C4F)/C2=O 1 5.648 4 1 -6.13041212688184 16194541 CCN(C1=CC=C(C=C1)F)C(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)O 1 3.83 2 3 -6.3800838426335 16194540 CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)/C(=N/NC(=S)NC5=CC=CC=C5F)/C2=O 1 4.453 5 4 0 -21.1398936107205 16194539 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)NC3CCN(CC3)CC4=CC=CC=C4)C(=O)N(C1=O)C 1 0.847 5 5 0 -19.9140208313431 16194538 CC(=NNC(=O)CNC(=O)C1COC2=CC=CC=C2O1)C3=CC(=CC=C3)O 1 1.254 3 5 0 -7.83448643172862 16194537 CC(C)CC(C(=O)O)NC(=O)/C(=C/C1=CC=CC=C1)/NC(=O)C2=CC=C(C=C2)OC 1 3.175 2 5 0 -24.6119897516498 16194536 CC1=CC=C(O1)C=NNC2=NC(=O)C(=NN2)CC3=CC=C(C=C3)OC 1 2.215 5 3 0 -12.8068038417949 16194535 CC\1=NN(C(=O)/C1=C/NCC=C)C2=CC=CC=C2 1 1.138 3 1 0 -9.66122379121013 16194534 CC\1=NN(C(=O)/C1=C/NC2CCCCC2)C3=CC=CC=C3 1 2.379 3 1 -1.46923103779359 16194533 CC1CC2=C(N1C(=O)C)C=CC(=C2)N/C=C/3\C=C(C=C(C3=O)Br)Br 1 2.783 2 2 -10.4260851796565 16194532 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)OC)CS(=O)(=O)C3=CC=CC=C3 1 1.981 2 7 0 -26.4960909786782 16194531 CC(=O)N1CCC(CC1)N(CCOC)C(=S)NC2=C(C=C(C=C2)Cl)OC 1 2.935 3 3 -13.2061761177667 16194530 CCC(C)NC(=O)CN(C1=CC(=CC(=C1)C)C)S(=O)(=O)C2=C(NC(=O)NC2=O)C 1 1.182 4 5 0 -29.7318962804047 16194529 CCOC1=CC=C(C=C1)C2=NN(C(=C2)N)S(=O)(=O)C3=CC=CC4=NSN=C43 1 3.416 5 3 0 -2.48243190550067 16194528 CN(C)CCNC(=O)C1=C2CCCCC2=CS1.Cl Cl- 1 2.643 2 1 -4.85881161664323 16194527 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)NC(CCSC)C(=O)O 1 2.166 3 7 0 -29.4978832804505 16194526 COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.688 4 3 0 -8.85984239569718 16194525 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCN(CC3)C4=CC(=CC=C4)OC)C(=O)N(C1=O)C 1 1.014 5 6 0 -17.2799283360595 16194524 C1=CC=C(C(=C1)CNN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)F)O 1 3.754 3 2 0.523306185887494 16194523 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)OC)C(=O)N(C1=O)C 1 0.972 5 6 0 -17.3006742196384 16194522 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)SCC(=O)O 1 3.65 2 5 0 -11.5655007768071 16194521 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3Br 1 4.159 3 6 0 -21.5668884700254 16194520 COC1=C(C=C(C=C1)N/C=C/2\C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3Cl)OC 1 4.407 2 5 0 -9.05250863779506 16194519 C1=CC=C2C(=C1)C(=CN2CCOC3=CC=CC=C3Cl)C(=O)O 1 4.255 1 3 -5.9138541617303 16194518 CC1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C(=O)O 1 4.077 1 3 -5.42686519441189 16194517 CC1=C2C=CC(=O)C=C2NC(=C1)NC3=CC=C(C=C3)OC 1 2.66 2 2 -3.0835307228228 16194516 CC(=NNC(=O)CN1C2=CC=CC=C2N=C1C3=CC=CC=N3)C4=CC(=CC=C4)O 1 3.198 5 2 0 -4.52029045367145 16194515 COC1=C(C(=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)O)OC 1 3.27 3 6 0 -10.3877206073707 16194514 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)OC)OC1=O 1 2.279 2 7 0 -13.2039998422647 16194513 CCC(C)(C)NS(=O)(=O)C1=CC2=C(C=C1)N(C(=O)O2)CC(=O)OCC 1 1.968 2 6 0 -14.3832737796127 16194511 CC1=C(C=C(C=C1)NC2=CC(=C3C(=O)C=CC=C3N2)C)C.Cl Cl- 1 3.649 2 1 -4.36931220581577 16194510 CC1=NOC(=C1Cl)C(=O)NC2=CC(=CC=C2)O 1 2.065 2 3 0.139594686448081 16194509 CC1=C(N=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C 1 0.646 5 5 0 -20.3565089647398 16194508 CC1=C/C(=C\2/CC(=NC3=CC=CC=C3N2)C4=CC(=CC=C4)[N+](=O)[O-])/C(=O)C=C1 1 4.116 3 3 -9.88348883206423 16194507 CC1=CC(=C(C=C1)C)N/N=C/2\C=CC(=O)C3=C2C=CC=N3 1 3.867 3 1 1.33412134273165 16194506 COC1=CC(=C(C=C1)O)CNN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Br 1 4.281 3 3 0.592003036570481 16194505 CCOC(=O)N1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C 1 -0.39 5 7 0 -22.4207809067386 16194504 CN1CCC(=NNC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C)CC1 1 0.895 4 3 0 -11.2717908724508 16194502 CC1=C(C=C(C=C1)NC2=CC(=C3C=CC(=O)C=C3N2)C)C.Cl Cl- 1 3.649 2 1 -2.71403467111998 16194501 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC)C(=O)N(C1=O)C 1 0.972 5 6 0 -20.2773333534889 16194500 COC1=CC(=C(C=C1)OC)C=NC2=C(N=C3N2C=CC=C3)C4=CC(=C(C=C4)O)OC 1 4.361 3 4 0 6.24908038476219 16194499 C1=CC=C(C=C1)C2=C/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)N2C4=CC=CC(=C4)C(=O)O 1 4.209 2 5 0 -7.15777847052573 16194498 CC1=CC(=C(C=C1)O)NC(=O)C2=NOC(=C2[N+](=O)[O-])C(C)C 1 2.91 3 5 0 -2.67495217339889 16194497 CCOC1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.361 3 5 0 -19.3986377628923 16194496 CCCN(CCC)CCCNC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 2.911 4 4 0 -26.097266905908 16194495 C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NC4=CC=C(C=C4)F 1 2.513 4 3 0 -9.97657135868393 16194494 CC(C)C(C(=O)NCC1=CC=CC=C1OC)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.823 4 4 0 -22.2206088084224 16194493 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C(=O)N(C1=O)C 1 0.972 5 6 0 -18.3035860423934 16194492 CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C 1 0.705 4 7 0 -17.9427491479459 16194491 CC1CC(CN(C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CN3)C 1 0.535 4 3 0 -12.2204491785414 16194490 COC1=CC=CC=C1C(=O)C2=CC3=C(C=C(C=C3)O)OC2=O 1 3.005 0 5 -5.70974923169619 16194489 COC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)N 1 3.604 3 3 0.281183981259925 16194488 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)O)CS(=O)(=O)C3=CC(=C(C=C3)C)C 1 2.969 2 6 0 -26.0054121049296 16194487 CC1=NC(=CC=C1)N/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3Br 1 3.073 3 2 -6.35041117332481 16194486 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)OC)CS(=O)(=O)C3=CC=C(C=C3)C 1 2.467 2 7 0 -25.600081339442 16194485 C1CCCN(CC1)CCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.243 5 3 0 -14.8348767454101 16194484 C1CC(CCC1CNS(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NC4=CN=CC=C4 1 2.246 5 3 0 -10.7873680613348 16194483 CC1=CC(=CC(=C1)N(CC(=O)NC2CCCC2)S(=O)(=O)C3=C(NC(=O)NC3=O)C)C 1 1.334 4 5 0 -25.6862626648694 16194482 CC1=CC(=CC(=C1)N(CC(=O)NC2CCCCCC2)S(=O)(=O)C3=C(NC(=O)NC3=O)C)C 1 2.246 4 5 0 -26.0407311790375 16194481 CC(C)C1=C(C(=NO1)C(=O)NC2=CC(=CC=C2)O)[N+](=O)[O-] 1 2.424 3 5 0 -3.38019622380238 16194480 C1CC(CCC1CNS(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NC4=CC=NC=C4 1 2.246 5 3 0 -10.5105200400044 16194479 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 1.355 4 6 0 -26.4783146565891 16194478 CCCCNC(=O)C1CCCN1S(=O)(=O)C2=CC=CC3=NSN=C32 1 2.059 4 3 0 -17.1924782971625 16194477 CC1=CC=C(C=C1)N(C)C(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.999 4 3 0 -9.86378074589266 16194476 CCOC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)OCC)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 1.201 4 7 0 -24.5516442284805 16194475 CCCN(CCC)C(=O)C1CCCN1S(=O)(=O)C2=CC=CC3=NSN=C32 1 2.682 4 3 0 -13.3299949521154 16194474 CC1=CC(=C(C=C1)OCC(=O)NN/C=C\2/C=CC(=O)C(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 0.964 4 7 0 -6.56148174951364 16194473 C1=CC=C(C(=C1)C(=O)NCC(=O)NN/C=C/2\C=C(C=CC2=O)Br)Br 1 1.267 3 3 0 -11.8832377437525 16194472 COC1=CC=CC=C1C2=NN(C(=C2)N)S(=O)(=O)C3=CC=CC4=NSN=C43 1 3.067 5 3 0 -5.27892839548935 16194471 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C(=O)N(C1=O)C 1 1.194 5 5 0 -17.178742807784 16194470 CCOC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C(C=C3)O)OC2=O 1 3.354 0 5 -4.8475879848677 16194469 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC(=CC=C3)Br 1 4.264 2 4 -20.4307592133921 16194468 C1CC(CCC1CNS(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.044 6 3 0 -13.1511834630997 16194467 CCN(CC)C(=O)C[N+]1=CC=C(C=C1)C(=O)N.[Cl-] Cl- 1 0.4 3 2 0 -13.4240196601633 16194466 CCCCCC1=CC(=C(C=C1)OCCOCCN2C=[N+](C3=CC=CC=C32)C)CCCCC.[Br-] Br- 1 8.88 2 2 0.437347251443811 16194465 CC(C)(C)C(=O)C[N+]1=CC=CC(=C1)C(=O)N.[Br-] Br- 1 1.565 2 2 0 -7.87138299276587 16194464 CC(C)(C)NC(=O)C[N+]1=CC=C(C=C1)C(=O)N.[Cl-] Cl- 1 0.427 3 2 0 -15.9544779179689 16194463 C1COCCOCCOCCOCCOCCOCCN1CC2=CC=CC=C2 1 0.936 1 6 0 1.29105647493112e-002 16194462 CCOCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S 1 3.782 4 4 0 -13.2799033867812 16194459 CCCOC1=CC=C(C=C1)C(=O)ON=C2CCN(CC2)C.Cl Cl- 1 2.495 2 3 3.01352689841544 16194458 C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NC(C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 2.189 5 4 0 -20.1422375721413 16194457 C1CC(CCC1CNS(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCC4=CC=CC=N4 1 2.468 5 3 0 -19.6475879336649 16194456 C1CCN(CC1)C(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 1.854 4 3 0 -12.6426955425682 16194455 CC(C)C(C(=O)NC1=NC=CS1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.829 5 3 0 -17.2602251534804 16194454 CC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C)C 1 1.744 4 5 0 -21.5076237233596 16194453 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC(=C(C=C2)C)C)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 1.841 4 6 0 -24.1615366952369 16194452 C1=CC=[N+](C=C1)CC(=O)NC2=CC=CC=C2C(=O)O.[Cl-] Cl- 1 1.7 2 3 0 -10.0825919414961 16194451 C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 2.51 5 4 0 -19.1726937418281 16194450 CC1CCC(CC1)NC(=O)CN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 2.042 4 5 0 -28.28444032515 16194449 CC1=C2C(=O)C=CC=C2NC(=C1)NC3=CC=C(C=C3)OC 1 2.66 2 2 -4.73880825751859 16194448 CC1=C2C(=O)C=CC=C2NC(=C1)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC 1 2.387 2 5 0 -10.2012151495834 16194447 CC\1=NN(C(=O)/C1=C\NCCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.287 4 5 0 -12.5408076294971 16194446 CC1=C(C=C(C=C1)N/N=C/2\C=CC(=O)C3=C2C=CC=N3)C 1 3.867 3 1 0.658172360597029 16194445 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2C)C)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 1.841 4 6 0 -22.9073626086907 16194444 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 1.355 4 6 0 -23.9136218805968 16194443 CCOC(=O)C(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C 1 1.234 3 5 0 -8.08067674927045 16194442 CC[N+]1=C(SC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C.[I-] I- 1 5.088 1 0 3.84512902479114 16194441 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)NCC3=CC=CO3)C(=O)N(C1=O)C 1 -8.2e-002 4 6 0 -27.2419869717 16194440 CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\C3=CC=CN3C4=CC=CC=C4Cl)/C(=N)N21 1 4.448 5 3 0 -11.8321689279581 16194439 CCC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=N4 1 4.266 4 1 -7.16872049953045 16194438 COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CN=CC=C4)OC 1 3.076 4 3 0 -9.87335684940164 16194437 COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=N4)OC 1 3.291 4 3 0 -9.62623981292772 16194436 CC1=CC=C(C=C1)N2C=CC=C2/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C(C)C 1 5.214 5 1 -13.4576779709686 16194435 COC1=CC(=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)N)OC 1 1.502 6 6 0 -28.9289427011466 16194434 C1CCCN(CC1)CCCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.464 5 3 0 -17.7604289849063 16194433 CN(C1=C(C=C(C=C1)OC)OC)C(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4 1 4.04 1 5 -7.71401144977844 16194432 CCOC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)C)C5=CC=CO5 1 4.84 4 3 0 -3.28533798409587 16194431 CCC1=NN2C(=N)/C(=C\C3=CC=CN3C4=CC(=CC=C4)Cl)/C(=O)N=C2S1 1 4.929 5 1 -8.97678574699411 16194430 CCOC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 1 1.821 4 6 0 -23.9231228527374 16194429 COC1=C(C=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl)OC 1 4.869 2 3 -9.48232231124508 16194428 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C 1 1.782 3 4 0 -11.4241376223708 16194427 CCC1=NN2C(=N)/C(=C\C3=CC=CN3C4=CC=C(C=C4)Br)/C(=O)N=C2S1 1 5.013 5 1 -12.2812925460104 16194426 CCC1=NN2C(=N)/C(=C\C3=CC=CN3C4=CC=C(C=C4)OC)/C(=O)N=C2S1 1 4.249 5 2 0 -13.05959770064 16194425 COC1=CC(=CC(=C1OC)OC)NC2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl 1 4.853 2 4 -7.70723483909359 16194424 CC1=CC=C(C=C1)N2C=CC=C2/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C5=CC=CO5 1 5.144 5 2 0 -5.04057817965972 16194423 CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 1.463 4 5 0 -11.5934191484398 16194422 COC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CN=CC=C4 1 3.092 4 2 -8.86496838556663 16194421 CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C)C4=CC=C(C=C4)OC 1 3.432 4 2 -4.89839416452065 16194420 CCC1=NN2C(=N)/C(=C\C3=CC=CN3C4=CC=C(C=C4)Cl)/C(=O)N=C2S1 1 4.929 5 1 -10.824632800909 16194419 COC1=CC(=CC(=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl)OC 1 4.869 2 3 -5.9727280444262 16194418 C[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CC=CC=C3O.[I-] I- 1 4.378 1 1 9.98168939855183 16194417 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2C4CCN(CC4)C(=O)OCC 1 2.831 4 5 0 -17.3335504354212 16194416 COC1=CC=C(C=C1)N2C=CC=C2/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C5=CC=CO5 1 4.641 5 3 0 -5.45354438880386 16194415 COC1=CC=C(C=C1)C2C3=C(C(=O)N2C4=CC=C(C=C4)C(=O)O)NN=C3C5=CC=CC=C5 1 4.481 3 4 0 -8.08714092416256 16194414 CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)OC 1 1.448 6 4 0 -15.0514443433928 16194413 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)C)N3CCCC3=O)OCC 1 3.675 2 4 -20.3967472511567 16194412 CC1=C(C(=CC=C1)C)N2C=CC=C2/C=C\3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C 1 4.756 5 3 0 -10.5680991643792 16194411 CCOC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5 1 3.051 4 5 0 -21.9649401312876 16194410 CC1=CC=C(C=C1)CC(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C2=CC=CC=C2 1 3.821 2 4 -20.7527113175925 16194409 CC1CCCN(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)/C=C/C4=CC=CS4 1 3.032 4 4 0 -17.7853249646669 16194408 C1CN(CCN1CCNC(=O)CCCNS(=O)(=O)C2=CC=CC3=NSN=C32)C4=CC=CC=C4F 1 2.471 6 3 0 -15.774078721743 16194407 C1CN(CCC1NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43)CC5=CC=CC=C5 1 3.342 5 3 0 -13.1281246978684 16194406 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C 1 3.036 2 5 0 -12.4964484055522 16194405 CC1=CC=C(C=C1)NC2=C(N=C3N2C=CC=N3)C4=CC=CC=C4O 1 4.465 4 1 3.10147364577467 16194404 CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)F 1 1.423 4 3 0 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CCCN(CCC)CCCNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.194 4 5 0 -31.9126809673356 16194293 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CS3 1 3.231 5 1 -17.1071984500873 16194292 COC1=CC=CC=C1CCNC(=O)CSC2=NN=C(C=C2)C3=CC=CS3 1 4.141 3 2 -17.7275489041237 16194291 CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCC2=CN=CC=C2 1 1.458 4 3 0 -20.9786302915079 16194290 CC1=C(C(=NN1C)C)CNC(=O)NC2=CC(=CC=C2)Cl 1 2.272 4 1 -1.78375752267624 16194289 C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CC3=CC=CO3)C4=CC=CC=C4 1 2.613 3 4 0 -15.0702867628073 16194288 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CC3=CC=CO3)C4=CC=CC=C4 1 2.597 3 5 0 -15.0335673715298 16194287 CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=CS4.Cl Cl- 1 3.368 3 3 -8.0199596167474 16194286 CC(C)N(C(C)C)C(=O)CN1C=C(C2=CC=CC=C21)SCC(=O)N 1 2.443 3 2 -12.8194052492402 16194285 CC1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC(=O)NCC4CCCO4 1 2.724 3 3 -28.0682227459698 16194284 C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC(=O)NCC4CCCO4 1 2.928 3 3 -25.3633275215004 16194283 COCCNC(=O)C1=CC(=C(C=C1)N2CC3CC(C2)C4=CC=CC(=O)N4C3)[N+](=O)[O-] 1 0.842 4 5 0 -15.734022599026 16194282 CC(C)NC(=O)C1=CC(=C(C=C1)N2CC3CC(C2)C4=CC=CC(=O)N4C3)[N+](=O)[O-] 1 1.699 4 4 0 -17.4706447916088 16194281 COC(CNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2)OC 1 2.207 4 3 0 -20.8631970403071 16194280 CC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=S)NCC(=O)NC3CC3 1 3.578 3 2 -17.8742702034026 16194279 C1CN(CCC1CC2=CC=CC=C2)CCCNC(=O)C3CCN(CC3)S(=O)(=O)N4CCC5(CC4)OCCO5 1 1.564 4 5 0 -15.5257350640204 16194278 CCOCCCNC(=O)CNC(=S)N(CC1=CC=C(C=C1)C)CC2=CC=CO2 1 3.368 3 3 -23.3891863256065 16194277 C1CN(CCC1NC(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)[N+](=O)[O-])CC6=CC=CC=C6 1 2.667 5 4 0 -7.85018443461768 16194276 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NNC(=O)C)C 1 1.693 6 1 0 3.195771904046 16194275 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5C)C 1 3.994 4 3 0 -0.943375188221041 16194274 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C 1 2.756 3 5 0 -7.27609251144306 16194273 CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)OC)CCC(=O)NC3CCN(CC3)CC4=CC=CC=C4)C 1 4.275 3 4 0 -6.83811745800487 16194272 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCCCN3CCC(CC3)CC4=CC=CC=C4 1 4.877 3 3 -5.78646742614636 16194271 COC(CNC(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=NC=C4)OC 1 0.763 4 6 0 -27.1626432065034 16194270 COC1=CC=CC(=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC=CS3 1 3.82 3 2 -13.9650275475035 16194269 C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CC(=O)N5CCN(CC5)C6=CC=CC=C6 1 2.664 6 4 0 -29.4880463035299 16194268 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC(=C(C=C3)OC)OC 1 2.275 2 6 0 -29.3358461484494 16194267 CN1C2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)S/C(=C\C4=CC(=CC=C4)OC)/C1=O 1 2.905 3 3 -11.9068007732107 16194266 CCC(C(=O)NCCOC)SC1=NC2=CC(=C(C=C2C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N)OC)OC 1 2.75 4 7 0 -28.9098022324379 16194265 CC1CCN(CC1)CCCNC(=S)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCCC4 1 5.097 5 0 -10.2326822598893 16194264 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)SCC(=O)NC 1 1.894 3 2 0 -18.9966180775063 16194263 C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NNC(=O)C4=CC=CS4 1 2.339 6 1 0 -1.55011939400849 16194262 C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NNC(=O)C4=CC=CO4 1 1.78 6 2 0 0.37358453521964 16194261 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=CO4)C 1 3.289 5 1 3.46994227920674 16194260 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NNC(=O)C4=CC=CO4)C 1 2.753 6 2 0 -1.50873997204403 16194259 CCC(=O)NNC1=NC=NC2=C1C=NN2C 1 -0.189 6 1 0 -3.31524549464939 16194258 CC1=CC=CC(=C1)C(=O)NNC2=NC=NC3=C2C=NN3C 1 1.295 6 1 0 -1.8185319079448 16194257 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C3=CC=CC=C3S2)CC(=O)NCC4=CN=CC=C4)F 1 2.979 3 2 -10.0238327153548 16194256 CC1=CC=CC=C1NC2=C(N=C3N2C=CC=N3)C4=CC=CC=C4 1 4.707 4 0 0.850233184868824 16194255 CC1CN(CCN1C2=CC=CC(=C2)C)C(=S)NC3=CC4=C(C=C3)N=C(C=C4C)N5CCOCC5 1 5.982 5 1 -12.5015410342646 16194254 CCN(CC)CCCNC(=O)C1=CC(=C(C=C1)N2CCCCC2)NS(=O)(=O)C3=CC=C(C=C3)C 1 3.99 4 3 0 -12.5110880646808 16194253 C1COCCN1C(=O)CC2=NN3C(=N)/C(=C\C4=CC=C(O4)SCC5=CC=CC=C5)/C(=O)N=C3S2 1 3.358 5 4 0 -24.9904249909155 16194252 CC1(C=C(NC(=S)N1)/C=C/C2=CC(=C(C=C2)OC)OC)C 1 3.177 2 2 -4.72208596195185 16194251 CN(CCNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)CC4=CC=CC=C4 1 1.744 4 4 0 -23.6846580656921 16194250 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(N=CC=C3)Cl)CC4=CC=NC=C4 1 1.947 5 2 0 -13.114564396193 16194249 C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C4=CC=CC=C4S/C(=C\C5=CC=CC=C5F)/C3=O 1 3.77 4 2 -2.10265909250707 16194248 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4)N5CCOCC5 1 5.03 5 1 -8.12506835678844 16194247 C1CC2=C(C3=C(C=C(C=C3)C(=O)NC4=NC=C(C=C4)Cl)N=C2C1)Cl 1 4.582 3 1 -0.521742119806419 16194246 CC1CCCCN1C(=S)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCOCC4 1 4.784 4 1 -10.1257399887713 16194245 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCCOC(C)C)N3CCCC3 1 4.384 4 1 -12.4512536246094 16194244 C1CN(CCC1CC2=CC=CC=C2)CCNC(=O)C3CCN(CC3)S(=O)(=O)N4CCC5(CC4)OCCO5 1 1.502 4 5 0 -15.3329476255049 16194243 C1CN(CCC1C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCC5(CC4)OCCO5 1 0.448 5 5 0 -17.1238996420513 16194242 CCCN(CCC)CCCNC(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCCC3 1 5.673 5 0 -9.73383389737944 16194239 C1CN(CCN1C2=CC=CC=C2F)C3=[N+](N(N=C3[N+](=O)[O-])C4=CC=CC=C4)[O-] 1 2.912 6 3 0 3.31250392176838 16194238 CC1=CC(=C(N1CC2=CC=CC=C2)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)S(=O)(=O)C 1 3.79 5 3 0 -20.1916936721344 16194237 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4OC)N5CCOCC5 1 5.102 5 2 0 -10.3574620096859 16194236 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N(C)CC4=CC=CC=C4 1 2.483 3 5 0 -8.20604542590162 16194235 CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\C3=C(N(C(=C3)C)C4=CC(=CC=C4)OC)C)/C(=N)N21 1 4.116 5 4 0 -16.496531852325 16194234 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCN(C(C4)C)C5=CC=CC(=C5)C 1 3.885 4 3 0 -9.35504481781734 16194233 CCOC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C)C 1 4.116 5 4 0 -13.7535293144966 16194232 CC1=CC(=CC(=C1)NC(=O)COC(=O)CCCC2=NS(=O)(=O)C3=CC=CC=C3N2)C 1 2.668 3 5 0 -17.8975209354699 16194231 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4)N5CCOCC5 1 4.305 4 3 0 -9.99427550714994 16194230 CC(C)C1COC(=N1)C2=CC=CN2CC3=CC=CC=C3Cl 1 4.823 2 1 -2.70644954086466 16194229 C1CCN(CC1)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)NCCC5=CC=C(C=C5)S(=O)(=O)N 1 3.194 7 3 0 -18.7882033282451 16194228 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=C\3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C 1 3.989 5 3 0 -11.8624629281792 16194227 CC1=CC(=C(N1C2=CC(=CC=C2)OC)C)/C=C\3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C 1 3.767 5 4 0 -13.1620512769822 16194226 CC\1=NC2=CC=CC=C2/C1=C/C3=C(N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)N 1 2.836 5 3 0 -11.3550306596101 16194225 CCS(=O)(=O)C1=NN2C(=N)/C(=C\C3=CC(=C(C=C3)OCC=C)OC)/C(=O)N=C2S1 1 3.549 4 5 0 -28.881478922812 16194224 COC(=O)C1=CC(=O)N(C(=NC2=CC=CC=C2)S1)CC3=CC=C(C=C3)F 1 4.111 2 3 -1.89480942515384 16194223 CCC1COC(=N1)C2=CC=CN2CC3=CC=C(C=C3)Cl 1 4.504 2 1 -2.59412574727463 16194222 COC1=C(C=C(C=C1)C2=NOC(C2)C(=O)NC3=CN=CC=C3)OC 1 1.198 3 4 0 -7.37560028731194 16194221 CCN(CC)CCNC(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCCC3 1 4.563 5 0 -7.69930246862835 16194220 CCCCN(C)CCCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3C 1 2.362 4 4 0 -27.5109877241645 16194219 CC1=CC(=C(N1C2=CC=CC=C2OC)C)/C=C\3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C 1 3.767 5 4 0 -14.9823887135557 16194218 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=NC=C(C=C3)C 1 2.183 3 4 0 -26.1210466513899 16194217 CC1=CC=CC=C1N2N=C(C(=NCC3=CC(=CC=C3)OC)N2O)[N+](=O)[O-] 1 3.102 5 4 0 0.970419076662806 16194216 COCCNC(=O)C1=CC=CN2C1=NC3=C(C2=O)C4=C(S3)CCCC4 1 1.544 3 3 0 -26.8110014645628 16194215 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CN3C2=NC4=C(C3=O)C5=C(S4)CCCC5 1 2.09 4 4 0 -21.7396378089483 16194214 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NC3=CC(=CC(=C3)C)C 1 2.729 2 4 -3.00965810875702 16194213 CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C\3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C 1 3.783 5 3 0 -13.240832464232 16194212 CCC(C)NC(=O)CCS(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)CC 1 1.981 2 4 0 -33.7885927179379 16194211 C1=CSC(=C1)C(=O)NNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F 1 2.544 6 1 0 -7.43556314308219e-002 16194210 CCC(=O)NNC1=NC=NC2=C1C=NN2C3=CC=CC(=C3)C 1 1.874 6 1 0 3.09033165930699 16194209 CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CCC(=O)NC3CCN(CC3)CC4=CC=CC=C4)C 1 4.496 3 3 -5.78431717203053 16194208 CCOC(=O)N1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N(C)CCO 1 1.288 6 6 0 -5.65841840238376e-003 16194207 CN1C2=C(C=N1)C(=NC=N2)NNC(=O)C3CCCCC3 1 1.271 6 1 0 -1.18308440499762 16194206 CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)N5CCCC5)F 1 4.271 7 1 0 5.04217557013857 16194205 CN1C2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)S/C(=C\C4=CC=CC=C4Cl)/C1=O 1 3.586 3 2 -9.01800951720381 16194204 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)NC3=CC=C(C=C3)Br 1 3.786 1 3 -4.8111516365835 16194203 COCCCNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2 1 2.201 4 2 -20.6582665898886 16194202 C1=CC=C(C=C1)C2=CN3C=CC=C(C3=N2)N/C=C/4\C=C(C=CC4=O)Br 1 3.239 3 1 -2.32686247307175 16194201 CCS(=O)(=O)C1=CC(=C(C=C1)OC)N/N=C/2\C=CC(=O)C3=C2C=CC=N3 1 2.753 3 4 0 -9.99741311185575 16194200 CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(S2)CN(C3)CC4=CC=CC=C4.Cl Cl- 1 4.549 2 1 -6.22539931685292 16194199 CC1=CC(=CC(=C1)NC(=S)N(CCOC)C(C)C2=CC=CS2)C 1 5.697 2 1 -6.78256793497768 16194198 CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.379 4 5 0 -37.214041126642 16194197 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCCC4=CCCCC4 1 3.674 3 3 -17.4966242011238 16194196 CCOC(=O)N1CCN(CC1)C(=O)CCCCCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4 1 2.866 4 6 0 -10.8060066563893 16194194 C1CCCN(CC1)CCCNC2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)F)F)[N+](=O)[O-].Cl Cl- 1 4.303 4 3 0 -7.66379105929914 16194192 CC1CCN(CC1)CCCNC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)F)[N+](=O)[O-].Cl Cl- 1 4.379 4 3 0 -9.00511613171694 16194190 CCCN(CCC)CCCNC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)OC)[N+](=O)[O-].Cl Cl- 1 4.247 4 4 0 -10.3930332665899 16194189 CC1CC(CN(C1)CCCNC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC)[N+](=O)[O-])C 1 4.058 4 4 0 -13.0490375318579 16194188 C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CS3)F 1 4.035 3 1 -10.923087718418 16194187 C1=CC(=CN=C1)CSC2=NN=C(C=C2)C3=CC=CS3 1 3.626 3 0 -5.27871046334049 16194186 CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=NNC(=O)C3=CC(=CC=C3)N(C)C 1 3.272 4 5 0 -12.6883641730285 16194185 C1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=S)C=NNC(=O)C3=CC=C(C=C3)O 1 2.114 4 4 0 -7.27930812154583 16194184 CC(C)C1=CC=C(C=C1)N(CC(=O)NN=C2CCN(CC2)C)S(=O)(=O)C3=CC=CC=C3 1 2.918 4 3 0 -13.2079070860761 16194183 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCCC4 1 2.006 3 6 0 -10.0484203526852 16194182 CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCCC4)C 1 3.027 3 3 -5.41615815125977 16194181 CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCCC4)C 1 2.24 3 3 -9.27879152501548 16194180 C1CCN(C1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4 1 2.062 3 3 -8.6577716546044 16194179 CCC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C 1 2.028 3 4 0 -9.08412816556391 16194178 C1CCC2=CN(N=C2CC1)CC(=O)NC3=CC=CC=C3Cl 1 3.757 3 1 -7.04325066913013 16194177 CC1=CC=CC=C1C(=O)C2=CC=CN2CC(=O)NCCCN3CCC4=CC=CC=C4C3 1 4.23 3 2 -18.9453408442027 16194176 CC1=CC=CC=C1C(=O)C2=CC=CN2CC(=O)NCCC3=C(C=CC(=C3)OC)OC 1 4.243 2 4 -17.8589552341341 16194175 CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCNC(=O)CN3C=CC=C3C(=O)C4=CC=CC=C4C 1 5.174 4 2 -13.1598786985964 16194174 CC(CCC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCOCC4 1 3.631 3 2 -9.31964919928758 16194173 C1CN(CCC1CC2=CC=CC=C2)CCCNC(=O)C3=CC4=C(C=C3)N=C(S4)N5CCOCC5 1 3.752 4 2 -3.49232656271476 16194172 COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=C(S4)N5CCOCC5)OC)OC 1 2.591 4 5 0 -3.1637433767438 16194171 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3F)C)CC(=O)NC4=C(C(=CC(=C4F)F)F)F 1 3.897 4 2 -11.7553613865676 16194170 CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NC3=C(C=CC(=C3)Cl)OC 1 2.278 2 5 0 -9.53054358820066 16194169 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCCC4 1 1.853 3 3 0 -8.93717044506957 16194168 C1CCN(CC1)C(=O)CN2C(=O)CC(S(=O)(=O)C3=CC=CC=C32)C4=CC=CC=C4 1 2.411 2 4 -10.096466659486 16194167 C1CCC(C1)NC(=O)CN2C(=O)CC(S(=O)(=O)C3=CC=CC=C32)C4=CC=CC=C4 1 2.69 2 4 -10.3937209024371 16194166 CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)NC4=CC=CC=C4Br 1 3.234 4 2 -6.74193561661497 16194165 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)S/C(=N/N=CC3=CC=CS3)/N 1 3.672 4 2 1.13571958158561 16194164 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCCC4 1 2.387 3 4 0 -6.20658351328187 16194163 CCN(CC)C(=O)CSC1=NC2=C(C(=O)N1CCCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)SC=C2 1 2.392 5 5 0 -45.3243782596023 16194162 CCCCNC(=O)CSC1=NC2=C(C(=O)N1CCCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)SC=C2 1 2.817 5 5 0 -41.8931219992465 16194161 COC1=CC(=C(C=C1)OC)CNC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O 1 3.502 2 5 0 -8.96783010572128 16194160 CCC1=CC(=CC=C1)NC2=C(C(=O)N(N=C2)C34C[C@@H]5C[C@H](C3)CC(C5)(C4)CC(=O)O)Cl 1 3.829 3 3 -3.18954005466905 16194159 CC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl 1 2.626 3 4 0 -8.14630901954256 16194158 C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC6=C(C=C5)OCO6)Cl)CC(=O)O 1 2.384 3 5 0 -7.60890591929923 16194157 C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=CC=C5)Cl)C(=O)O 1 2.581 3 3 -4.11326153680973 16194156 COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])OC 1 3.034 2 6 0 -9.86446231130936 16194155 C1CCC(=CC1)CCNC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-] 1 3.384 3 6 0 -6.78464326953941 16194154 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 0.916 5 5 0 -14.2806371813548 16194153 CC1=C(C(=O)NN1)C(C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C3=C(NNC3=O)C 1 -0.555 5 6 0 -8.03980928094671 16194152 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)F)C 1 4.226 1 3 -1.1842768182124 16194151 CC1=CC(=NN1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C 1 2.008 3 4 0 -9.01728674092659 16194150 COC1=CC=CC(=C1O)CNC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.522 2 4 2.41620041142163 16194149 CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)F 1 1.64 3 5 0 -20.5258470473776 16194148 CCOC1=CC2=C(C=C1)OC(CC2N(CCN3CCOCC3)C(=O)NC4=CC=CC=C4)(C)C 1 3.37 3 4 0 -7.29190432392813 16194147 CCOC1=CC2=C(C=C1)OC(CC2N(CCN3CCOCC3)C(=O)NC4=C(C=C(C=C4)OC)OC)(C)C 1 3.337 3 6 0 -11.101765858312 16194146 CCOC1=CC2=C(C=C1)OC(CC2N(CCN3CCOCC3)C(=S)NC4=CC=CC=C4OC)(C)C 1 5.249 3 4 0 -13.6088244404552 16194144 CC1=CC=C(O1)/C=C(\C)/C(=O)C2=C(C=C(NC2=O)C)C 1 2.445 1 3 -14.890760829603 16194143 C1CCC(=CC1)CCNC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCC4 1 2.966 3 3 -15.7179718723819 16194142 C1CCN(C1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)N4CCC5=CC=CC=C54 1 2.496 3 3 -14.1684928805372 16194141 C1CCN(C1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCC4=CC=C(C=C4)Cl 1 2.886 3 3 -10.0217334974796 16194140 COC1=CC=CC(=C1)C2=NOC(C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.134 2 5 0 -4.45925873904973 16194139 CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)NC3=CC=CC=N3.Br Br- 1 1.767 5 1 0 4.66255548424428 16194138 COCCCNC(=O)CCCCCNS(=O)(=O)C1=CC=C(C=C1)Br 1 1.962 2 4 0 -21.5717651243431 16194137 CCCCCCNC(=O)CCCCCNS(=O)(=O)C1=CC=C(C=C1)Br 1 4.272 2 3 -19.352285627523 16194136 CCN(CC)CCNC(=O)CSC1=C2CCCCC2=NC3=C1C=CC(=C3)Cl 1 4.638 3 1 -5.9291191568538 16194135 COC1=CC=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)N3C=CC=C3 1 3.796 2 2 -7.51616746054181 16194134 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NCCCN3CCCCC3 1 1.02 3 4 0 -3.98368790540183 16194132 C1C(=O)N(C(C2=CC=CC=[N+]21)C(=O)NC3=CC=C(C=C3)Cl)CC4=CC5=C(C=C4)OCO5.[I-] I- 1 3.533 3 4 0 -4.57177000781166 16194131 C1CCN(CC1)C2=CC=CC=C2NC3=NC4=CC=CC=C4N5C3=NN=C5 1 3.771 6 0 2.81653571827816 16194130 CC1=NN2C(=N1)C3=CC=CC=C3N=C2NNC(=O)CCC(=O)NC4CCCC4 1 1.142 7 2 0 -12.4279077064636 16194129 CC1=CC=CC=C1NC(=O)C2C3=CC=CC=[N+]3CC(=O)N2CC4=CC5=C(C=C4)OCO5.[I-] I- 1 3.354 3 4 0 -8.48894962796789 16194128 CC1=NOC(=C1)C(=O)NC2CCCCC2 1 1.924 2 2 0 -8.27081962410197 16194127 CCCCNC(=O)C1=CC(=NO1)C 1 1.394 2 2 0 -11.2967189715859 16194126 CC1=NOC(=C1Cl)C(=O)NC2=CC=C(C=C2)OC 1 2.29 2 3 -2.8051343571777 16194125 C1=CC2=CC(=NN2C=C1)C(=O)NCCC3=CC=C(C=C3)Cl 1 3.263 3 1 -6.01378493414888 16194124 CCN(C1=C(C=CC(=C1)Cl)OC)C(=O)C2=CC3=C(O2)C4=CC=CC=C4N=C3C 1 4.881 2 3 -2.85797014713939 16194123 CC1=C(SC(=C1C(=O)OC)N2C(=O)NC3=CC=CC=C3N2O)C 1 2.269 3 4 0 -10.0734363821647 16194122 COC1=C(C=C2C(=C1)C(=C(C=N2)C(=O)C3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5)OC 1 5.09 3 3 0.590513253669662 16194121 CCOC(=O)C(C)NC(=O)CN1C2=C(C=N1)C(=O)OC3=C2C=C(C=C3)C 1 1.977 3 5 0 -18.5161971668084 16194120 CCCCN(C)C1=C(C(=O)C1=O)N2CCC(CC2)C(=O)OCC 1 1.767 2 4 0 -5.19863389742163 16194119 CCN1CCSC2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C 1 2.606 3 2 -11.3606075371993 16194118 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4 1 2.951 6 3 0 -15.9017981354041 16194117 CN1C(=O)C(=CC2=CC=C(O2)SC3=CC=C(C=C3)OC)C(=O)N(C1=O)C 1 2.898 2 5 0 -2.96004540378879 16194116 C1=CC=C(C=C1)CSC2=CC=C(O2)/C=C/3\C(=N)N4C(=NC3=O)SC=N4 1 3.997 4 2 -12.4312730818484 16194115 CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)NCCC(C)C 1 1.618 2 4 0 -10.7250052142672 16194114 COC1=CC=CC(=C1)C2=NOC(C2)C(=O)NC3=C(N=CC=C3)Cl 1 2.088 3 3 -1.53893038943316 16194113 C1CCCC(CC1)NC(=O)C(CC2=CC=CC=C2)N3C=CC=C3 1 4.544 2 1 -7.92057375102141 16194112 CC1=CC=C(C=C1)CN2CCSC3=C2C=C(C=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5 1 5.324 3 1 -6.87414992801758 16194111 CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4 1 3.08 6 2 0 -11.7853417624304 16194110 CCOC1=CC(=C(C=C1)OCC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 0.244 4 7 0 -21.9252357634129 16194109 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C 1 -0.287 5 6 0 -23.5877709878348 16194108 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NCCC(C)C 1 1.483 2 4 0 -8.28600313961194 16194107 CC1=CC2=C(C=C1)OC(=O)C3=C2N(N=C3)CC(=O)N(CCCOC)CC4=CC=CO4 1 2.34 3 5 0 -18.0628181172058 16194106 CC(C)CCNS(=O)(=O)C1=C(C=CC(=C1)OC)OC 1 2.288 1 4 -10.4356283057657 16194105 CCOC1=CC=C(C=C1)C2=CC(=NO2)CCCC(=O)NCCC(C)C 1 4.169 2 3 -17.0761976289898 16194104 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)C(=S)NC4=CC=CC=C4 1 2.747 6 1 0 -10.7628065399516 16194103 CCC(CC1=CC=CC=C1)NC(=O)CN2C(=O)C3=C(C=CS3)C=N2 1 2.878 3 2 -9.02404047018592 16194102 CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)NCC2=CC=CO2)C 1 2.579 2 4 -12.1040664725496 16194101 COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NON=C43)OC 1 1.875 4 6 0 -14.2189494955203 16194100 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O 1 4.759 3 3 -3.37854953862458 16194099 CCC1=CC=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl 1 3.829 3 3 -4.67106462452497 16194098 CSC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N4C2=NN=C4 1 3.241 5 0 3.11286015760129 16194097 CCC1=NN2C(=O)C=C(N=C2S1)COC3=CC=C(C=C3)/C=C/4\C(=N)N5C(=NC4=O)SC(=N5)C 1 3.565 7 3 0 -21.5591559597054 16194096 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC=CS3)OC 1 4.124 3 3 -17.2654333958765 16194095 CC1C2=NC3=CC=CC=C3N2C(C(=O)N1CC4=CC=CC=C4)CC(=O)NC5CC5 1 2.764 4 2 -14.5495148972348 16194094 CC1C2=NC3=CC=CC=C3N2C(C(=O)N1CC4=CC=CC=C4)CC(=O)NCCCN5CCOCC5 1 2.163 5 3 0 -18.1871341476282 16194093 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)N3C(=O)NC4=CC=CC=C4N3O 1 3.505 3 4 0 -5.8531842440211 16194092 C1CC(=O)N(C1)CCCNC(=O)CCC(=O)NNC2=NC3=CC=CC=C3C4=NC(=NN42)C5=CC=CC=C5 1 1.12 8 3 0 -26.4644209094064 16194091 C1=CC2=C(C(N(C2=O)CC3=CC=CS3)NC4=CC(=C(C=C4)F)Cl)N=C1 1 4.131 3 1 -4.7584923315582 16194090 CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)NCCC3=CC=C(C=C3)Cl 1 2.606 2 4 -3.98515370805859 16194089 CC(C)OC(=O)NS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-] 1 1.789 2 6 0 -11.1371714177604 16194088 CC1=C2C(=CC=C1)OCC3=C2SC(=C3)C(=O)NC4=CC=CC(=N4)C 1 4.272 2 2 -2.35103215418496 16194087 CC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)N3C=CC=C3 1 3.545 2 2 -9.62792729437139 16194086 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)N(C)C 1 1.648 3 4 0 -5.82455670813057 16194085 COC1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)C3=CC=CS3 1 3.813 3 2 -13.1999513189597 16194084 C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)SCC(=O)NCCCN4CCOCC4 1 3.691 3 2 -8.16641853829689 16194083 CC1=CC2=C(C=C1)N=C(C3=C2SC(=C3)C(=O)NCCCN4CCCC4)Cl 1 4.399 3 1 -2.69938773185542 16194082 COC1=CC=CC(=C1)N=C(N)N.Cl Cl- 1 0.778 3 1 0 2.98939106438025 16194080 CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC(=CC(=C3)Cl)Cl)C4CCNCC4)C.Cl Cl- 1 5.378 4 1 -3.47241229760615 16194079 CCCCN(CCCNC(=O)CN1C(=O)C2=C(C=CS2)C=N1)CC3=CC=CC=C3 1 3.185 4 2 -13.2574051523485 16194078 C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C4=C(COC5=CC=CC=C54)C=N3 1 2.833 4 2 -4.03151174551624 16194077 CC1C2=NC3=CC=CC=C3N2C(C(=O)N1CC4=CC=CC=C4)CC(=O)NCCCOC 1 2.206 4 3 0 -19.4435780739774 16194076 CC1=C2C(=CC=C1)OCC3=C2SC(=C3)C(=O)NCCCN4CCC5=CC=CC=C5C4 1 4.883 2 2 -9.35234476062269 16194075 CCN1CCN(CC1)C2=NC3=CC=CC=C3N4C2=NN=C4 1 1.627 6 0 0 5.96670553518755 16194074 COC1=C(C=C(C=C1)CCNC2=NC3=CC=CC=C3N4C2=NN=C4)OC 1 2.987 5 2 0 -2.20294639569663 16194073 COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.746 3 3 -11.7224416907784 16194072 COCCN(CC1=CC=CO1)C(=O)CN2C3=C(C=N2)C(=O)OC4=CC=CC=C43 1 1.791 3 5 0 -19.6511822586118 16194071 CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)NCCC3=CC=C(C=C3)C 1 2.428 2 4 -5.80715239864541 16194070 C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)F)N3C=CC=C3 1 4.011 2 1 -5.20136773810947 16194069 CCOC(=O)C1=C(NN=C1N2C(=O)NC3=CC=CC=C3N2O)C4=CC(=CC=C4)Cl 1 3.657 5 4 0 -4.36602624569178 16194068 COC1=CC=CC(=C1OC)C2=NOC(C2)C(=O)NC3=C(N=CC=C3)Cl 1 2.072 3 4 0 -4.81225086698708 16194067 COCCCNC(=O)CSC1=NC2=C(C(=O)N1CCCC(=O)NCC3CCCO3)SC4=CC=CC=C42 1 2.369 4 5 0 -34.5272619618104 16194066 CC1CC(CN(C1)C(=O)C(CC2=CC=CC=C2)N3C=CC=C3)C 1 3.991 2 1 -7.31305715071439 16194065 CCOC(=O)C1=C(NN=C1N2C(=O)NC3=CC=CC=C3N2O)C4=CC(=CC=C4)OC 1 2.976 5 5 0 -6.25124264315957 16194064 C1=CC=C(C=C1)CC(C(=O)NCC2=CC=C(C=C2)F)N3C=CC=C3 1 4.018 2 1 -6.39132422593242 16194063 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=CC=C3Cl 1 1.683 3 4 0 -3.07489362387398 16194062 CCOC1=C(C=C(C=C1)CCNC2=NC3=CC=CC=C3N4C2=NN=C4)OCC 1 3.685 5 2 0 -3.46425572716806 16194061 C1=CC(=CC=C1CNC(=O)CCNS(=O)(=O)C2=CC=C(S2)Br)F 1 2.192 2 3 -15.746976441514 16194060 C1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC=C(S2)Br 1 1.987 2 3 0 -17.2736683717588 16194059 CC1=CC(=NO1)NC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2 1 9.1e-002 3 4 0 -13.0422930099794 16194058 CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)NC4=CC(=CC=C4)F 1 2.691 4 2 -3.39967014759027 16194057 CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.735 3 2 -12.709353577825 16194056 CCN1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCN(CC4)C5=NC=CC=N5 1 -0.672 8 4 0 -22.821459830453 16194055 CCN(CC)CCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4 1 -0.347 8 4 0 -27.0427155964634 16194054 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCCCOC)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4 1 -1.252 7 5 0 -30.5364589042557 16194053 CCCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4 1 0.145 7 4 0 -29.1874204250323 16194052 COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC 1 2.285 2 5 0 -21.698942203621 16194051 C1=CC=C(C(=C1)CNC(=O)CCNS(=O)(=O)C2=CC=C(S2)Br)Cl 1 2.651 2 3 -17.8224928974627 16194050 CC1=CC=C(C=C1)CN2CCSC3=C2C=C(C=C3)C(=O)NCC4=CC=CC=N4 1 4.278 3 1 -12.8856175901626 16194049 CC(C1=CC=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C(=O)N4C)C 1 1.197 4 5 0 -16.7288888151313 16194048 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)NCC4=CC=CS4)N(C(=O)C1=O)C 1 0.559 4 5 0 -19.4410688735555 16194046 CCOC(=O)CNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=C(C=C3)OC)Cl 1 1.734 4 6 0 -20.6638156279894 16194045 COCCNC(=O)CCCN1C(=O)C2=CC(=C(C=C2N(C1=O)CC(=O)NCCC3=CCCCC3)OC)OC 1 1.829 4 7 0 -27.2412862387786 16194044 CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC(=C(C=C2)F)Cl 1 4.419 4 2 -8.61567229108295 16194043 COCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.345 4 6 0 -34.4849043142842 16194042 CC1=CC=C(C=C1)N2C(=NC(=NC3=CC=CC(=C3)C)C24CCCC4)SCC(=O)O.I I- 1 5.85 3 2 -8.06164289440595 16194041 CN(C)C1=CC=C(C=C1)CNC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4 1 2.84 4 3 0 -14.8594870808472 16194040 C1CN(CCC1NC(=O)CCNS(=O)(=O)C2=CC=CS2)CC3=CC=CC=C3 1 1.529 3 3 0 -12.6243963770404 16194039 C1=CC=C(C=C1)CCNC(=O)CCCNS(=O)(=O)C2=CC=CS2 1 2.061 2 3 -21.1764341527808 16194038 CC1=CC=C(C=C1)N=C2/C(=C/3\C=CC=CC3=O)/NC4=CNC=CN42 1 0.866 4 1 0 -4.42203922652405 16194037 CC(C1=CC=CC=C1)N2CCC3=C(C2)C(=O)NC(=S)N3 1 2.122 3 1 -10.7293070321337 16194036 C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCC(=O)NCC3=CC=CO3 1 0.942 4 4 0 -19.8287710020667 16194035 CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NON=C32 1 1.069 4 4 0 -19.0777375555632 16194034 C1CCCN(CC1)CCCNC(=O)CN2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5F 1 2.223 5 4 0 -19.848998595923 16194033 COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4OC)C(N2)(CC5=CC=CC=C5)C(=O)O 1 0.593 2 6 0 2.29638369729805 16194032 CCOC(=O)C1CCCN(C1)C(=O)CN2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)N4CCC(CC4)C 1 1 3 6 0 -26.5774597030103 16194031 CC1=CC(=C(C=C1)O)NC(=O)C2=NOC3=C2CCC4=CC=CC=C43 1 4.152 2 3 -1.64395106888661 16194030 CC(C)CC1=CC(=NO1)C(=O)NC2=CC(=CC=C2)O 1 2.775 2 3 -2.89191568900801 16194029 CC1=CC=C(C=C1)CN2CCSC3=C2C=C(C=C3)C(=O)NCC4=CC=CO4 1 4.395 2 2 -12.8343506712574 16194028 CCCC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4 1 5.354 2 4 -8.56013113211291 16194027 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCC4=CC=CC=C4OC 1 2.914 3 4 0 -16.2037087448833 16194026 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F 1 3.136 3 3 -12.9646076792079 16194025 CCCCNC(=O)C1CCC(CC1)CNC2=C(C(=O)C2=O)N3CCC(CC3)C 1 2.675 3 3 -17.1014105980836 16194024 C1CC(CCC1CNC2=C(C(=O)C2=O)N3CCOCC3)C(=O)NCC4=CC=CC=C4Cl 1 2.113 3 4 0 -15.1509262554307 16194023 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCOCC4 1 1.646 3 6 0 -10.9574833134762 16194022 COC1=C(C=C(C=C1)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCOCC4)Cl 1 2.09 3 5 0 -7.36989126233538 16194021 C1CC(CCC1CNC2=C(C(=O)C2=O)N3CCOCC3)C(=O)NCC4=CC=C(C=C4)Cl 1 2.113 3 4 0 -11.9652881343605 16194020 CCOC1=CC=C(C=C1)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCC(CC4)C 1 3.256 3 4 0 -7.60346364549719 16194019 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCC4=CC=C(C=C4)C 1 3.416 3 3 -13.6764847046732 16194018 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCC4=CC=C(C=C4)OC 1 2.914 3 4 0 -14.0894509138173 16194017 CC(C1=CC=CC=C1)NC2=NC3=CC=CC=C3N4C2=NN=C4 1 3.076 5 0 9.19075457809686e-002 16194016 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/NC2=O 1 2.862 4 5 0 -6.51761822125445 16194015 CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC4=C(C(=O)S3)SC=C4 1 4.074 3 2 -16.1486502103035 16194014 CC1=CC(=C(C=C1)C)N2C3=C(C=C(C2=O)C#N)C(=O)N4C=CC=CC4=N3 1 2.419 4 2 -14.8403107057325 16194013 CCC1=CC=C(C=C1)C(C2=CC=CC=C2OC)(C(CN3CCOCC3)C4=CC=CC=C4)O.Cl Cl- 1 4.989 1 3 -3.30418560533329 16194012 CC1=CC2=C(C=C1)OC(=O)C3=C2SC(=C3)C(=O)NC4=NC=CC(=C4)C 1 4.34 2 3 -5.46011121981934 16194011 CC1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)Cl 1 4.779 3 1 -7.4310115027566 16194010 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CSC3=C2CCCCC3 1 3.855 1 2 -8.14962919200621 16194009 CCCN(CCC)C(=O)CN1C2=C(C(=O)N(C1=O)CCCC(=O)NCC3=CC=CO3)SC=C2 1 2.335 4 5 0 -29.4995805590579 16194008 CCN1C2=C(C=C1C(=O)N3CCC(CC3)C(=O)NC4CCN(CC4)C(=O)OCC)SC=C2 1 2.379 4 4 0 -7.98328295610567 16194007 CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCC4=CN=CC=C4)C 1 3.083 4 1 -2.6902659153077 16194006 CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NCCCN4CCOCC4 1 1.899 4 3 0 -7.45363250334563 16194005 CC1CN(CCN1C2=CC=CC(=C2)C)C(=S)NCC34C=CC(O3)C5C4C(=O)N(C5=O)C6=CC=C(C=C6)C 1 4.691 4 3 0 4.80906214389814 16194004 CN(C1=CC=CC=C1F)C(=O)C2=CC3=C(S2)C4=CC=CC=C4S(=O)(=O)C3 1 4.068 1 3 -5.25023125346038 16194003 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=C(S4)N5CCCCC5)C 1 4.93 4 1 3.5632349705581 16194002 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)NCC4=CN=CC=C4)N(C(=O)C1=O)C 1 -0.332 5 5 0 -19.1157064317877 16194001 CCCC(=O)N(C1CS(=O)(=O)C=C1)C2=CC=CC=C2 1 1.659 1 3 0 -7.84480865936695 16194000 CCOCCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4 1 -0.903 7 5 0 -32.0443708429854 16193999 C1C(C=CS1(=O)=O)N(C2=CC=C(C=C2)F)C(=O)C3=CC=CS3 1 2.36 1 3 -4.1478739429024 16193998 CC(C(=O)NCC1=CC=CO1)SC2=C(SC=C2)[N+](=O)[O-] 1 2.362 2 4 -12.8587000627424 16193997 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCCN3CCN(CC3)C4=CC=CC=C4F 1 1.408 5 4 0 -0.711796123305809 16193996 CC(C)N(CCNC(=O)C1=C(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3)CC4=CC=CO4 1 3.921 2 4 -9.93600389656181 16193994 CC1=C(C=CC=C1Cl)NC(=O)NC(=O)CN2C(=C(N=N2)C(=O)OC)C(=O)OC 1 2.01 5 6 0 -15.5490724398278 16193993 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC(=O)C3=CC=C(C=C3)Cl)CCC(=O)NCC4CCCO4)OC 1 2.53 3 7 0 -22.5663431251802 16193992 CCOC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)C(=O)N 1 2.726 3 3 -17.386753544641 16193991 COC(=O)C1=C(N=CC=C1)N2C(=O)C3=C(N=CC=C3)N(C2=O)CC4=CC(=CC=C4)[N+](=O)[O-] 1 2.663 5 6 0 -11.2049469816818 16193990 COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 3.921 4 2 -14.0499614194264 16193989 COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)N5CCCCCC5 1 5.081 4 3 0 -6.03337335813561 16193988 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 2.232 3 4 0 -10.7407545846557 16193987 CCC(C)NC(=O)CN1C=C(C2=CC=CC=C2C1=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F 1 1.898 4 4 0 -22.8690907383152 16193986 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CCCCC3 1 0.466 4 5 0 -29.4594732587273 16193985 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)OC)/C(=O)NCC3CCCO3 1 2.823 2 4 -23.0106058694314 16193984 CC1=CC(=C(C(=C1)C)OCC(CNC(C)(C)C)O)C.Cl Cl- 1 3.295 1 2 -4.77774813781975 16193983 CCC(C)(C)C1=CC(=C(C=C1)OCCCC[N+]2=CC=C(C=C2)C)C(C)(C)CC.[Br-] Br- 1 7.908 1 1 9.11733319017541 16193982 CCC(C)(C)C1=CC(=C(C=C1)OCCCC[N+]2=CC=CC(=C2)C)C(C)(C)CC.[Br-] Br- 1 7.908 1 1 7.86892143177301 16193981 COCCNC(=O)CCCN1C(=O)C2=CC(=C(C=C2N(C1=O)CC(=O)C3=CC(=CC=C3)OC)OC)OC 1 1.681 3 8 0 -24.4264850368299 16193980 COCCNC(=O)CCCN1C(=O)C2=CC(=C(C=C2N(C1=O)CC(=O)C3=CC=C(C=C3)Cl)OC)OC 1 2.362 3 7 0 -21.6570279466358 16193979 C1CCN(C1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCC(=CC4)C5=CC=CC=C5 1 2.77 3 3 -6.97126754445754 16193978 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCCC4 1 1.795 3 4 0 -8.29286468522797 16193977 CC1=C2C=NN(C(=O)C2=C(N1CCCC(=O)N3CCN(CC3)C4CCCCC4)C)C5=CC=CC=C5 1 3.877 5 2 0 -10.5625851448356 16193976 CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)NC4=C(C=C(C=C4)F)F 1 2.897 4 2 -4.78321394853816 16193975 C1CCN(C1)C(=O)CN2C(=O)CC(S(=O)(=O)C3=CC=CC=C32)C4=CC=CC=C4 1 1.955 2 4 0 -9.74199814531797 16193974 CCN(CC)CCCNC(=O)C1CCN(CC1)C2=NC=NC3=C2SC4=CC=CC(=C43)F 1 3.407 5 1 -4.03521367021191 16193973 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCOCC4)OCC 1 3.463 3 4 0 -12.5148399246549 16193972 CC1=CC=CC=C1C(=O)C2=CC=CN2CC(=O)NCCC3=CCCCC3 1 4.698 2 2 -18.3519897402937 16193971 C1CN(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)/C=C/C(=O)C4=CC=CC=C4 1 5.441 2 1 0.654116918133393 16193970 COC1=C(C=C(C=C1)C(=O)NCC(=O)NN=C/C=C/C2=CC=CC=C2)OC 1 2.07 3 4 0 -12.696695184876 16193969 CC1CCC(CC1)NC(=O)C(CC2=CC=CC=C2)N3C=CC=C3 1 4.339 2 1 -10.1642828971339 16193968 CC1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)N3C=CC=C3 1 4.292 2 1 -4.12299343677037 16193966 COC1=CC=CC=C1CNC(=O)C2=CSC3=C2CCCC3 1 3.65 1 2 -11.1612768900823 16193965 COC1=CC(=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=C(O3)Br)OC 1 2.131 1 6 0 -6.31014707772164 16193964 CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC(=CC=C3)OC 1 2.67 1 4 -2.96508656166425 16193963 COC1=CC=CC(=C1)C(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NCC4CCCO4)OC)OC 1 1.85 3 8 0 -25.3358002153743 16193962 COCCNC(=O)CCCN1C(=O)C2=CC(=C(C=C2N(C1=O)CC(=O)NC3=CC=CC=C3OC)OC)OC 1 1.061 4 8 0 -26.3929564992963 16193961 CC1=C(C=C(C=C1)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCCC(=O)NCCOC)OC)OC)F 1 1.77 4 7 0 -21.7922803855531 16193960 CCCCN(CC)CCCNC(=O)C1=CC=C(C=C1)CSC2=NC3=C(N2)C=NC=C3 1 3.948 5 1 -14.0439432805503 16193959 C1CCN(C1)C(=O)CSC2=NC3=C(C(=O)N2CCCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N)SC=C3 1 2.155 5 5 0 -41.8301953947169 16193958 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)N3CCN(CC3)C(=O)OCC 1 0.18 4 6 0 -3.28475230281577 16193956 CC1=C(C(=CC=C1)C)NC(=O)C2C3=CC=CC=[N+]3CC(=O)N2CC4=CC5=C(C=C4)OCO5.[I-] I- 1 3.841 3 4 0 -9.17612745206333 16193954 CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)Cl)C4CCNCC4)C.Cl Cl- 1 4.714 4 1 -2.51339482087902 16193953 CC1CC(CN(C1)CCCNC(=O)C2CCN(CC2)C3=NC4=C(C=C(C=C4S3)C)C)C 1 4.407 4 1 -6.13813327375895 16193952 CC1C2=NC3=CC=CC=C3N2C(C(=O)N1CC4=CC=CC=C4)CC(=O)NC(C)C 1 3.001 4 2 -17.1055666098678 16193951 CCOC(=O)CNC(=O)CN1C(=O)CC(S(=O)(=O)C2=CC=CC=C21)C3=CC=CC=C3 1 1.344 2 6 0 -16.7168625336966 16193950 CC1=CC=C(C=C1)CNC(=O)C2CC(=O)OC2C3=CC(=C(C=C3)OC)OC 1 2.823 1 5 -11.4626031328101 16193949 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCSCCC2=CC=CC=N2 1 2.956 3 3 -11.2933786903532 16193948 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCN(CC3)C4=CC=CC=N4 1 4.838 5 3 0 -9.0925150681251 16193947 COC1=CC(=C(C=C1)OC)C2=NOC(C2)C(=O)NCC3=CC=CS3 1 2.096 2 4 -11.7124249125797 16193946 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CC(=NO3)C4=CC(=C(C(=C4)OC)OC)OC 1 1.425 4 6 0 -19.2125558781189 16193945 CC1=C(C(=CC=C1)NC(=O)C2=C3C=CC=CN3N=C2)C 1 2.815 3 1 -4.21847668573269 16193944 CC1=C2C(=NN(C2=NC(=C1CCC(=O)NC3=CC=C(C=C3)CN4CCCC4)C)C5=CC=CC=C5)C 1 5.166 5 1 -6.75096259537915 16193943 COC1=CC(=CC(=C1OC)OC)C2=NOC(C2)C(=O)NC3=CN=CC=C3 1 1.182 3 5 0 -8.10258095251795 16193942 CC1=CC=C(C=C1)C=NNC2=NC(=O)C(S2)CC(=O)N3CCOCC3 1 1.774 4 3 0 -15.195670969815 16193941 CCS(=O)(=O)C1=CC(=C(C=C1)N/N=C/2\C=CC(=O)C3=C2C=CC=N3)OC 1 2.753 3 4 0 -13.1645432727025 16193940 CC1=CC(=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C(=O)N4C)C)C 1 1.785 4 5 0 -15.7025332525228 16193939 CC1=CC(=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl)Cl 1 4.037 3 3 -2.8224538742236 16193938 CCCN(CCC)CCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3N(C2=O)CC 1 4.194 3 2 -9.50058422417714 16193937 C1CCC(=CC1)CCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.627 3 3 0 -21.5612013688408 16193936 CN1CCN(CC1)C(=S)NC2=C(SC=C2)C(=O)OC 1 2.814 3 2 -11.8679594427052 16193935 CC1=CC(=CC(=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=CS3)C 1 3.126 1 3 -5.91905725823277 16193934 CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)NCCC3=CC=CC=C3 1 1.942 2 4 0 -6.62196730342501 16193933 CC(=O)C1=CC(=CC=C1)N2C(=O)NC3=CC=CC=C3N2O 1 1.736 3 3 0 -8.60420292976785 16193932 CCCCNC(=O)CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCC(CC3)C 1 3.625 4 2 -16.3305317742475 16193931 CCOC1=CC=C(C=C1)N2C(S(=O)(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/C2=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.088 2 8 0 -6.00493500548946 16193930 C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)SCC(=O)NCCN4CCOCC4 1 3.629 3 2 -7.97363109978141 16193929 COC1=CC(=CC(=C1OC)OC)NC2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4 1 4.188 2 4 -8.9212096133984 16193928 CC(C)CCNC(=O)C1CCC(CC1)CNC2=C(C(=O)C2=O)N3CCCC3 1 2.219 3 3 -16.8241423115263 16193927 CC1=CC(=NO1)NC(=O)C2CC(=NO2)C3=CC(=C(C=C3)OC)OC 1 1.488 3 5 0 -15.9898363761588 16193926 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CC(=NO3)C4=CC(=CC=C4)OC 1 1.458 4 4 0 -13.1669645628377 16193925 CC1=CC=CC=C1NC(=O)C2=NN3C=CC=CC3=C2 1 2.757 3 1 -7.93208838820807 16193924 C1CC(CCC1CNS(=O)(=O)C2=CC=C(S2)Br)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.657 3 5 0 -20.5334679618242 16193923 [B-](F)(F)(F)F.CCC1=CC2=C(C=C1)OC(=CC2=[NH+]C3=CC=CC(=C3)C(=O)O)C4=CC=C(C=C4)OC F[B-](F)(F)F 1 5.425 1 4 0.729201818958426 16193922 CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C/NC3=CC=CC4=NSN=C43)/C(=N2)C 1 3.738 5 1 -0.740339627618332 16193921 C1=CC2=NC3=C(C=C(C(=O)N3C4=CC=C(C=C4)Cl)C#N)C(=O)N2C=C1 1 2.111 4 2 -12.7823836720303 16193920 CC1CC(CN(C1)CCCNC(=O)C2CCN(CC2)C3=NC=NC4=C3SC5=CC=CC(=C54)F)C 1 4.265 5 1 -7.16771158887469 16193919 C1=CC2=CC(=NN2C=C1)C(=O)NC3=CC=C(C=C3)Br 1 3.019 3 1 -4.92395346449544 16193918 CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C2CCCN2C(=O)OC(C)(C)C 1 1.724 3 7 0 -18.0898139225376 16193916 COC1=CC=C(C=C1)C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)NCC4CCCO4 1 2.646 2 4 -15.2619534790946 16193915 COC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)N3C=CC=C3 1 3.789 2 2 -6.32621097271886 16193914 COC1=CC=CC(=C1)NC(=O)C(CC2=CC=CC=C2)N3C=CC=C3 1 3.789 2 2 -6.06689980455598 16193913 C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)\NC(=O)C5=CC=CC=C5 1 3.578 3 6 0 -23.9451789193579 16193912 CCCCN(CC)CCCNC(=O)C1CCN(CC1)C2=NC=NC3=C2SC4=CC=CC(=C43)F 1 4.387 5 1 -4.30989560056826 16193911 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCCCOC(C)C)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4 1 -0.526 7 5 0 -31.7946667524445 16193910 COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4)Cl 1 2.872 4 3 0 -14.2082831676049 16193909 CC1=CC(=NO1)NC(=O)C2CC(=NO2)C3=C(C=CC(=C3)OC)OC 1 1.488 3 5 0 -14.8269621423013 16193908 COC1=CC=CC=C1C(=O)NN/C=C/2\C=CC=C(C2=O)CC=C 1 1.958 2 3 0 -10.9477183949046 16193907 CCN(CC)CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4 1 -0.285 8 4 0 -28.6007533718197 16193906 CCCCCCCCC1=NC(=NN1)SC(C)C(=O)O 1 4.283 3 2 -7.69423591055351 16193905 C1COCCN1CCCNC(=O)CCC(=O)NNC2=NC3=CC=CC=C3C4=NC(=NN42)C5=CC=CC=C5 1 1.293 8 3 0 -15.076727917814 16193904 COC1=CC(=C(C=C1)NC(=O)CCN2C=CC=C2)OC 1 1.981 2 3 0 -11.004811737753 16193903 COC1=CC=CC=C1NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4 1 2.655 3 4 0 -7.83978018632634 16193902 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NC(C)C 1 3.036 2 2 -13.1198802347492 16193900 CCC(C1=CC=C(C=C1)OC)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 3.336 1 3 -3.57769628693876 16193899 C1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NC4=CC=C(C=C4)F 1 2.877 3 3 -4.23411325674108 16193898 C1C(ON=C1C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 4.707 2 3 -0.86920164774939 16193897 CC1=NC2=CC=CC=C2C3=C1C=C(O3)C(=O)NC4=CC=C(C=C4)C(C)C 1 4.872 2 2 -1.52686419991785 16193896 CC1CCCC(C1C)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCC4 1 3.068 3 3 -10.4332665810144 16193895 CCC1=NN=C(S1)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCC(CC4)C 1 2.325 5 3 0 -15.1626503683637 16193894 C1COCCN1C(=O)CN2C(=O)CC(S(=O)(=O)C3=CC=CC=C32)C4=CC=CC=C4 1 1.182 2 5 0 -11.6647631092616 16193893 COCCCNS(=O)(=O)C1=CC2=C(C=C1)NC(=O)N2 1 -0.465 3 4 0 -19.0286939515885 16193892 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCCC4=CC=C(C=C4)Cl 1 3.916 3 3 -12.1117392897852 16193891 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)OC)CS(=O)(=O)C3=CC=CC=C3 1 2.223 2 6 0 -26.8187031670131 16193890 COC1=CC=CC(=C1)C(=O)N(C2CS(=O)(=O)C=C2)C3=CC=CC=C3 1 2.184 1 4 -3.56468087653682 16193889 CC1=C(C=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)CC3=CC=CS3)Cl 1 3.339 1 3 -7.64019724710774 16193888 CC1=CC2=C(C=C1)OC3=NN(C(=O)C3=C2)C4=CC=CC=C4 1 3.392 2 2 -0.327222642331742 16193887 C1CCCN(CC1)C(=O)CSC2=C(SC=C2)[N+](=O)[O-] 1 2.691 2 3 -11.4285033862403 16193886 CC1=CC=CC=C1NC(=O)C(CC2=CC=CC=C2)N3C=CC=C3 1 4.292 2 1 -7.85755461240824 16193885 C1=CC=C(C(=C1)CNC2=NC3=CC=CC=C3N4C2=NN=C4)Cl 1 3.363 5 0 -1.3206961467603e-002 16193884 COC(=O)C1=CC=C(C=C1)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CS4 1 3.116 3 3 -9.90912631713015 16193883 C1C(C=CS1(=O)=O)N(C2=CC(=CC=C2)Cl)C(=O)C3=CC=CS3 1 2.818 1 3 -3.2568903980659 16193882 CCCCN(CC)CCCNC(=O)C1=CSC2=C1CCCCC2 1 4.418 2 1 -11.1192912986911 16193881 CC(C)CCNC(=O)C1=CSC2=C1CCCCC2 1 4.12 1 1 -12.9867606515969 16193880 COC1=CC(=C(C=C1)NC(=O)C2=CSC3=C2CCCCC3)OC 1 4.083 1 3 -10.0570337782887 16193879 CC1CC(CN(C1)C(=O)CSC2=C(SC=C2)[N+](=O)[O-])C 1 2.874 2 3 -13.3641151123278 16193878 C1CCN(CC1)C(=O)CSC2=C(SC=C2)[N+](=O)[O-] 1 2.235 2 3 -11.4285033862403 16193877 CCOC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NN=C4 1 3.024 5 1 2.86604243014274 16193876 C1C(ON=C1C2=CC=C(C=C2)F)C(=O)NCC3=CC=CO3 1 1.776 2 3 0 -8.68350846186921 16193875 C1C(ON=C1C2=CC=C(C=C2)F)C(=O)NCC3=CC=CS3 1 2.334 2 2 -9.3782736295038 16193874 CC1=CC(=NO1)NC(=O)C2CC(=NO2)C3=C(C(=CC=C3)OC)OC 1 1.488 3 5 0 -13.7073140728912 16193873 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NC3=CC(=C(C=C3)C)C 1 2.729 2 4 -2.72321024605385 16193872 C1=CC=C(C(=C1)N2C3=C(C=C(C2=O)C#N)C(=O)N4C=CC=CC4=N3)Cl 1 2.111 4 2 -13.4691506880946 16193870 COC1=CC=CC=C1C(C2=CC=CC=C2)(C(CN3CCOCC3)C4=CC=CC=C4)O.Cl Cl- 1 4.047 1 3 -4.13521925981658 16193869 CC(C1=CC=C(C=C1)Br)(C(CNCCCCO)C2=CC=CC=C2)O.Cl Cl- 1 3.456 1 2 0.549434758115123 16193868 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 1.806 4 4 0 -0.299548808648952 16193867 CCCCCCCC[N+]1=C(N(C2=C1C=C(C=C2)NC(=O)C)C3=CC=CC=C3)C.[I-] I- 1 6.099 3 1 -0.832464225431593 16193866 CCN(CC)CCCNC(=O)CN1C(=C(C(=C1C2=CC=CC=C2)C)C(=O)OCC)C 1 3.733 3 3 -14.9697445902905 16193865 C1=CC=NC(=C1)CCSCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.47 3 3 -11.3610529354419 16193864 C1=CC=NC(=C1)CCSCCC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 3.4 3 1 -9.90803907989618 16193863 CC1=CC2=C(C=C1)OC(=O)C3=C2SC(=C3)C(=O)NC4=NC=C(C=C4)C 1 4.34 2 3 -8.10531370446648 16193862 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)N(C)C4=CC=CC=C4F 1 4.298 2 2 -6.60478265008892 16193861 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)N(C)C4=C(C=CC(=C4)C)OC 1 4.563 2 3 -5.11395552000252 16193860 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)N(C)C4=C(C=C(C=C4)OC)OC 1 4.06 2 4 -5.85410704185087 16193859 CCOC(=O)C1=C(C(=C(N1C)C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C 1 3.3 3 3 -3.97479500506011 16193858 CCOC(=O)C1=C(C(=C(N1C)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C 1 3.505 3 3 -3.00161478445263 16193857 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC(=O)C3=CC=C(C=C3)F)CCCC(=O)NCC4CCCO4)OC 1 2.393 3 7 0 -24.3027340010892 16193856 C1=CC2=C(C(N(C2=O)CC3=CC=CS3)NC4=CC=C(C=C4)Br)N=C1 1 4.009 3 1 -5.55138436466644 16193855 CCNC(=O)CC1C(=O)N(C(=O)N1CCC2=C(C=CS2)C)C3=CC=C(C=C3)F 1 2.883 3 3 -18.6052439648038 16193854 COC1=CC=CC=C1CNC(=O)CSC2=C(SC=C2)[N+](=O)[O-] 1 2.679 2 4 -16.4902663337615 16193853 COC1=C(C=C(C=C1)CN2C(C(=O)N(C2=O)C3=CC=CC=C3)CC(=O)NC4=CC=CC=C4)OC 1 3.398 3 5 0 -18.7231413917196 16193852 COC1=CC=CC(=C1)NC(=S)N2CCN3C(=NC4=CC=CC=C43)C2 1 4.348 4 1 -7.83905656714245 16193851 COC(=O)C1=C(N=CC=C1)N2C(=O)C3=C(N=CC=C3)N(C2=O)CC4=CC(=CC=C4)C(F)(F)F 1 3.711 4 4 0 -4.71981154715712 16193850 COC1=C(C=C(C=C1)CCNC(=O)CSC2=C(SC=C2)[N+](=O)[O-])OC 1 2.984 2 5 0 -17.7825697191989 16193849 CC(=O)N1CCC2=C1C=CC(=C2)C(=O)CN3CCN(CC3)C4=CC=CC=N4 1 1.994 4 2 0 -9.40274165586597 16193848 COC1=CC(=CC(=C1OC)OC)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CO4 1 2.653 3 5 0 -9.50560591509636 16193847 CCCCC1=NN2C(=N)/C(=C\C3=CC=C(C=C3)OCC4=CC(=O)N5C(=N4)SC(=N5)CC)/C(=O)N=C2S1 1 5.144 7 3 0 -21.7147782511209 16193846 CCC1=NN2C(=O)C=C(N=C2S1)COC3=CC=C(C=C3)/C=C/4\C(=N)N5C(=NC4=O)SC(=N5)CC(C)C 1 4.94 7 3 0 -18.8077873794079 16193845 C1=CC=C(C(=C1)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CO4)Br 1 3.451 3 2 -5.17466289224643 16193844 CC1=CC=C(C=C1)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CS4 1 3.747 3 1 -5.91672331015182 16193843 CC(C)CSC1=NSC2=NC(=O)/C(=C\C3=COC4=CC=CC=C4C3=O)/C(=N)N21 1 4.342 4 3 0 -11.4813629763572 16193842 CCCCN(C)C(=S)NC1=C(SC=C1)C(=O)OC 1 4.185 2 2 -11.4257508438947 16193841 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCC(CC2)N3CCCCC3 1 3.786 3 4 0 -15.781449780485 16193840 CC(C)CC1=NN2C(=N)/C(=C\C3=COC4=CC=CC=C4C3=O)/C(=O)N=C2S1 1 3.324 4 3 0 -10.8718647404251 16193839 CC1=CC(=NO1)NC(=O)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC 1 1.471 3 6 0 -16.7922509583829 16193838 CCN(CCNC1=C(C(=O)C1=O)N2CCC(CC2)C(=O)OCC)C3=CC=CC=C3 1 2.062 3 4 0 -8.05394313731874 16193837 C1CC2=C(C3=C(C=C(C=C3)C(=O)NC4=C(N=CC=C4)Cl)N=C2C1)Cl 1 4.252 3 1 -3.01007353392478 16193836 C1C(C=CS1(=O)=O)N(C2=CC=C(C=C2)Br)C(=O)C3=CC=CS3 1 2.902 1 3 -4.49441202288227 16193835 CC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)CNC(=S)N5CCN(CC5)C6=CC=CC=C6 1 3.828 4 3 0 9.49772545959197 16193834 CC1=CC(=NN1)NC(=O)CN2C3=C(C4=C(S3)CCC4)C(=O)N(C2=O)C5=C(C=C(C=C5)OC)OC 1 2.998 5 5 0 -18.5878099084962 16193833 COC1=C(C=C(C=C1)C2=NOC(C2)C(=O)NC3=CC4=C(C=C3)OCO4)OC 1 2.117 2 6 0 -9.87526361564967 16193832 CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)NCCC3=CC=CC(=C3)C 1 2.428 2 4 -4.54805102940319 16193831 CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)NCCCN3CCN(CC3)C4CCCCC4 1 1.069 5 4 0 -2.83238772988985 16193830 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)F 1 1.224 3 4 0 -1.61047941682205 16193829 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)N3CCN(CC3)C4=CC=CC=C4F 1 1.806 4 4 0 -0.438214487600139 16193828 C1CCC(C1)NC(=O)CSC2=C(SC=C2)[N+](=O)[O-] 1 2.514 2 3 -13.2420392235043 16193827 COC1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4 1 2.208 4 3 0 -17.0735960547563 16193826 CCCCN(CC)CCNC(=O)CCNC(=O)CN1C=CC2=CC=CC=C2C1=O 1 1.116 4 3 0 -19.8930884704764 16193825 C1=CC2=C(C(N(C2=O)CC3=CC=CS3)NC4=CC=C(C=C4)Cl)N=C1 1 3.925 3 1 -4.094724619565 16193824 CCCCCCCSC1=NC(=O)C(=NN1)C2=CC=CC=C2N 1 4.176 4 1 -13.4123541746028 16193823 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=CO3)NC4=CC=C(C=C4)F.Cl Cl- 1 3.463 7 1 0 -1.7946554681563 16193822 CN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCO)\NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.968 3 6 0 -17.2282711483905 16193821 CC1=CC=C(C=C1)OCCCCN2C=NC3=CC=CC=C32.Cl Cl- 1 4.312 2 1 -2.41991600550512 16193820 CC1=C2C=NN(C(=O)C2=C(N1CCCC(=O)NCCN3CCN(CC3)C)C)C4=CC=CC=C4 1 1.951 6 2 0 -15.856443422597 16193819 CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NN4C(=O)C=C(N=C4S3)C 1 3.1 5 2 0 -13.4519993603751 16193818 CCCCS(=O)(=O)N1CCN(CC1)/C(=N/[N+](=O)[O-])/N 1 1.968 5 4 0 -20.1514415570152 16193817 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5S(=O)(=O)C4 1 3.899 2 4 -2.51496648718913 16193816 CC(C)CCC(C1=CC=C(C=C1)Br)(C(CNCCCCO)C2=CC=CC=C2)O.Cl Cl- 1 5.144 1 2 -2.33034170090893 16193815 CCC(C1=CC=C(C=C1)Br)(C(CNCCCCO)C2=CC=CC=C2)O.Cl Cl- 1 3.98 1 2 -0.357099027233956 16193814 CCCCC(C1=CC=C(C=C1)Br)(C(CNCCCCO)C2=CC=CC=C2)O.Cl Cl- 1 4.892 1 2 -1.55811306019789 16193813 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)C4=C(C=C(C=C4)Cl)S(=O)(=O)C3 1 3.16 2 5 0 -4.57396731973295 16193812 COC1=CC(=C(C=C1)OC)CCNC(=O)C(=O)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O 1 2.549 4 5 0 -21.3327740079905 16193811 CCOC1=CC=CC=C1NC(=O)CCN2C=CC=C2 1 2.346 2 2 -10.858493156532 16193810 CCN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCO)\NC(=O)C3=CC(=C(C=C3)OC)OC 1 2.333 3 5 0 -20.8086886837542 16193809 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=CC=C3)C)CC(=O)NCC(OC)OC 1 1.65 4 3 0 -17.3598476718536 16193808 C1CC(CN(C1)C(=O)NC2=CC=C(C=C2)Br)O 1 1.85 2 2 0 -5.51756919249156 16193807 CC1CCCC(N1NC(=O)NC2=CC(=CC(=C2)C)C)C 1 3.304 3 1 -4.10972384198612 16193805 CCN(CC)CCCNC(=O)CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCCCC3 1 2.943 5 2 0 -14.335466527026 16193804 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N2)SC)C3=CC=CC=C3OC 1 3.952 2 3 -9.96154603988751 16193803 CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCN3C=CC=C3 1 3.125 3 1 -4.97068289724339 16193802 C1=CN(C=C1)CCC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 4.134 2 2 -3.74473078602576 16193801 CCN1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCN(CC)CC)\NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.63 4 5 0 -20.6369792716405 16193800 COC1=C(C=C(C=C1)N)N2C=NN=N2 1 -4.7e-002 5 1 0 -10.8026618025876 16193799 CC1=C(C(=CC=C1)C)NC(=O)N2CCCCCCC2 1 3.954 2 1 -7.06564127477915 16193798 COC1=CC=C(C=C1)C(C2=CC=CC=C2OC)(C(CN3CCOCC3)C4=CC=CC=C4)O.Cl Cl- 1 4.03 1 4 -3.3089408297889 16193796 CCCCCCC(C1=CC=C(C=C1)Br)(C(CNCCCCO)C2=CC=CC=C2)O.Cl Cl- 1 5.805 1 2 -1.564354351694 16193795 C[N+](C)(C)CCCNC(=O)C1=CN/C(=C\N=O)/C=C1.[I-] I- 1 -2.094 4 2 0 -12.7167340009547 16193794 CC(C(C12CC3CC(C1)CC(C3)C2)O)N4CCCCC4.Cl Cl- 1 3.578 1 1 -1.85156118825954 16193793 CCOC1=CC=C(C=C1)N2C(S(=O)(=O)/C(=C/C3=CC(=C(C=C3)OC)O)/C2=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.088 2 8 0 -5.11962204011733 16193792 CC1CCN(CC1)CCCNC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC)[N+](=O)[O-] 1 3.671 4 4 0 -10.8047842721636 16193791 CCOC1=CC=CC=C1NC2=NC3CS(=O)(=O)CC3S2 1 2.037 2 3 -7.16813461521246 16193790 CCOC(=O)C1=C(N(N=N1)CC(=O)NC(=O)NC2=CC=CC=C2)C(=O)OCC 1 1.557 5 6 0 -16.226792641677 16193789 CCOC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3CCCCC3 1 5.068 3 2 -14.1954055925391 16193788 COC1=CC(=C(C=C1)OC)NC(=S)NC2=C(SC=C2)C(=O)OC 1 4.142 2 4 -10.1535441002397 16193787 CC1CCCC(N1C(=S)NC2=C(SC=C2)C(=O)OC)C 1 4.529 2 2 -13.2670582684112 16193786 CCN1CCN(CC1)C(=S)NC2=C(SC=C2)C(=O)OC 1 3.163 3 2 -13.4746153461561 16193785 CC1=CC(=C(C=C1)OC)NC(=S)NC2=C(SC=C2)C(=O)OC 1 4.645 2 3 -9.88847035491262 16193784 CCN1CCN(CC1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC 1 3.065 3 4 0 -17.1879780207253 16193783 CC1=CN(N=C1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC(=CC=C3)OC 1 4.586 4 1 8.65985878471776 16193782 CC(C)CCNCC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2.Cl Cl- 1 3.62 2 1 -12.5260432659673 16193781 C1CC(OC1)CNC(=O)CN2C3=C(C(=O)N(C2=O)CCCC(=O)NCC4=CC=CO4)SC=C3 1 0.742 4 6 0 -30.6768408375585 16193780 COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)N5CCCC5 1 4.169 4 3 0 -5.67890484396753 16193779 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=C2CCN(CC2)C)C3=CC=C(C=C3)C(C)C 1 3.404 4 3 0 -12.3118974468399 16193778 C1=CC=C2C(=C1)C(=NS2(=O)=O)N(CCO)N=CC3=CC=NC=C3.Cl Cl- 1 0.781 4 3 0 -1.03030822513811 16193777 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)F 1 3.615 3 3 -4.68086695865481 16193776 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCCC(C)C 1 2.927 3 3 -18.6568948281331 16193775 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NC4CCCCCC4 1 3.661 3 3 -11.8862616291008 16193774 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCC4)C 1 3.561 4 3 0 -10.8855902879063 16193773 CCOC1=CC(=C(C=C1)OCC)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCCC4 1 2.72 3 5 0 -8.87413609864978 16193772 CCC(C)(C)C1=CC(=C(C=C1)OCCCC[N+]2=CC=CC=C2)C(C)(C)CC.[Br-] Br- 1 7.422 1 1 8.53688098390748 16193771 CC1=CC2=C(C=C1)OC(=O)C3=C2SC(=C3)C(=O)N4CCN(CC4)C 1 3.052 2 3 -5.06993729745821 16193770 C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4CC4)C(=C2C1)Cl 1 3.898 2 1 -4.40525820523293 16193769 C1CC(OC1)CNC(=O)CCCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)N 1 2.231 4 4 0 -28.2582674361566 16193768 CCOC(=O)CNC(=S)N1CCN2C(=NC3=CC=CC=C32)C1 1 2.566 4 2 -13.3379655445306 16193766 CCC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C4CCNCC4.Cl Cl- 1 4.019 4 1 -6.89290953372742 16193765 COC1=CC=C(C=C1)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CS4 1 3.244 3 2 -6.32968951929596 16193763 CC1=C(C(=CC=C1)C)NC(=O)C2C3=CC=CC=[N+]3CC(=O)N2CC4=CC=CS4.[I-] I- 1 3.812 3 2 -9.24928011063619 16193762 CC1CCN(CC1)C(=O)C2=CC(=NO2)C 1 1.441 2 2 0 -10.8890945596274 16193761 COC(=O)C1=CC(=O)N(C(=NC2=CC=CC=C2)S1)CC3=CC=CS3 1 3.645 2 3 -4.44763084702221 16193760 COC1=CC=C(C=C1)C2=NOC(C2)C(=O)NC3=C(N=CC=C3)Cl 1 2.088 3 3 -4.48535875718434 16193759 COC1=CC(=C(C=C1)OC)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCOCC4 1 1.409 3 6 0 -8.55846198699795 16193758 COC1=CC=CC=C1NC(=O)C2=CC3=C(S2)C4=CC=CC=C4S(=O)(=O)C3 1 3.64 1 4 -7.64355263052308 16193757 CN(C1=CC=C(C=C1)OC)C(=O)C2=CC3=C(S2)C4=CC=CC=C4S(=O)(=O)C3 1 3.846 1 4 -2.61972288441759 16193756 C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=C(N3)C=NC=C4 1 3.649 4 1 -9.89530584407897 16193755 CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NCC4CCCO4 1 2.504 3 3 -10.1432619718767 16193754 CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCC4=CC=CC=N4)C 1 3.298 4 1 -2.37213010834616 16193753 COC1=CC(=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4)OC 1 2.191 4 4 0 -17.9421466143697 16193752 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=CC=C3F)CC4=CN=CC=C4 1 2.43 4 2 -14.7967324542147 16193751 C1CSC2=C(N1CC3=CC=C(C=C3)Cl)C=C(C=C2)C(=O)NCC4=CC=CO4 1 4.573 2 2 -11.0123519806705 16193750 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(N=CC=C3)Cl)CC4=CN=CC=C4 1 1.947 5 2 0 -13.9016249045606 16193749 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(C=CC(=C3)F)F)CC4=CN=CC=C4 1 2.635 4 2 -12.8667129688858 16193748 COC1=CC(=C(C=C1)N2C(=O)C3=C(N(C2=O)CC(=O)NC4CCCC4)SC5=C3CCCC5)OC 1 4.151 3 5 0 -19.0428004091015 16193747 CC1=C(SC2=C1C(=O)N3C=CC=C(C3=N2)C(=O)N4CCN(CC4)C5=CC(=CC=C5)OC)C 1 2.743 4 3 0 -10.3060088946147 16193746 CC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)CNC(=S)N5CCN(CC5)C6=CC=CC=N6 1 3.216 5 3 0 8.82193621511513 16193745 COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OC 1 4.516 3 3 -13.0140438938015 16193744 COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)N3CCCCC3 1 3.931 3 2 -14.4829193503283 16193743 C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=CC=C4 1 3.033 3 2 -14.0426919517937 16193742 CC1=CC(=CC(=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=C(O3)Br)C 1 3.136 1 4 -5.11559194112151 16193741 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CCC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)OC 1 4.036 3 7 0 -18.066283451023 16193740 C1CCN(C1)CCCNC(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=CC=C4 1 3.806 3 1 -11.2896172267135 16193739 COC1=C(C=C(C=C1)C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)NCC4CCCO4)OC 1 2.63 2 5 0 -19.323064786652 16193738 CC1=C2C(=CC=C1)OCC3=C2SC(=C3)C(=O)NC4=CC=CC=C4N5CCN(CC5)C 1 4.72 3 2 -0.409298830219051 16193737 C1CN(CCC1C(=O)NCC2=CC=CC=N2)C(=O)C3=CC4=C(N3CC5=CC=C(C=C5)F)C=CS4 1 4.105 4 2 -13.1514078760367 16193736 COCCNC(=O)C1CCN(CC1)C(=O)C2=CC3=C(N2CC4=CC=C(C=C4)F)C=CS3 1 3.326 3 3 -15.011572562351 16193735 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSCCC2=CC=CC=N2 1 2.78 2 3 -13.6300458830291 16193734 CCN1CCCC1CNC(=O)C2CCN(CC2)C(=O)C3=CC4=C(N3CC5=CC=C(C=C5)F)C=CS4 1 4.434 4 2 -15.8795607172036 16193733 C1=CC=C(C(=C1)CNC(=O)C2=CC=C(C=C2)CSC3=NC4=C(N3)C=NC=C4)Cl 1 4.317 4 1 -13.352246693401 16193732 C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)CSC3=NC4=C(N3)C=NC=C4)C5=CC(=CC=C5)Cl 1 4.502 6 1 0 -3.94721791340233 16193731 COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(S2)CN(C3)CC4=CC=CC=C4.Cl Cl- 1 4.047 2 2 -6.63836552599706 16193730 C1CCCC2(CC1)NC(=O)C(=N2)C3=CC=C(C=C3)Br 1 3.697 2 1 4.0343971210019 16193729 CCOCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=NN=C(S3)C 1 2.896 4 2 -20.1743208843884 16193728 C1COCCN1CCCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 -0.811 4 4 0 -21.2585823186747 16193727 COC1=CC=CC=C1/C=C/C(=O)NCC(=O)NN=CC2=CC=CC=C2 1 2.194 3 3 -12.2517273070873 16193726 CC1CCCN(C1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-] 1 2.647 3 6 0 -5.72707460008371 16193725 CC1=CC=C(C=C1)CCN=C2C(=NN(N2O)C3=CC=C(C=C3)OC)[N+](=O)[O-] 1 3.423 5 4 0 0.319996106109806 16193724 CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)CC(=O)NC5=CC(=CC=C5)F 1 2.729 5 1 -4.96223009313431 16193723 CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)CC(=O)NC5=CC=C(C=C5)C(=O)C 1 2.263 5 2 0 -10.4679182895614 16193722 CC1=NC=CN1CCC(=O)NC2=CC=C(C=C2)Cl 1 1.732 3 1 0 -4.307908322389 16193721 C1CC(OC1)CNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl 1 2.006 3 2 -7.45701385075717 16193720 CCCN1CC2=CC=CC(=C2C1=O)C(=O)NC(CC(=O)OCC)C3=CC=C(C=C3)OC(C)C 1 3.704 2 5 0 -15.9971073268104 16193719 CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(C(=C(N2)C)C(=O)C)C)OCC 1 3.364 2 4 -14.0164565346475 16193718 C1CN(CCN1C2=[N+](N(N=C2[N+](=O)[O-])C3=CC=C(C=C3)Cl)[O-])C(=O)C4=CC=CO4 1 2.018 6 5 0 -0.33539078985727 16193717 C1CN(C(=O)N1CC2=CC=C(C=C2)Cl)CC(=O)NCC3=CC=CS3 1 2.231 3 2 -15.1569021092215 16193716 CN1C2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)S/C(=C\C4=CC(=C(C=C4)OC)OC)/C1=O 1 2.889 3 4 0 -16.1452855035593 16193715 CCCN1CC2=CC=CC(=C2C1=O)C(=O)NC(CC(=O)OCC)C3=CC(=C(C=C3)OCC)OC 1 3.31 2 6 0 -20.003002203212 16193714 CN1C2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)S/C(=C\C4=CC(=CC=C4)Cl)/C1=O 1 3.586 3 2 -8.96522735663209 16193713 CN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)/C=C\3/C(=O)N(C4=CC=CC=C4S3)CC5=CC=C(C=C5)F 1 4.436 4 2 -2.76846204650614 16193712 CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)CO 1 1.698 4 5 0 -5.6952749003056 16193711 COC1=CC=C(C=C1)NC(=O)NCCCN2CCC(CC2)CC3=CC=CC=C3 1 3.788 3 2 -2.74752548999894 16193710 C1COC2=C(O1)C=CC(=C2)N3N=C(C(=NCC4=C(C=C(C=C4)F)Cl)N3O)[N+](=O)[O-] 1 3.288 5 5 0 0.348459333592846 16193709 CC1CCN(CC1)C2=NC3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=NC=CC(=C5)C 1 3.775 6 1 0 -8.35580392641176 16193708 CC1=CC(=NN1CCC(=O)NC2=CC(=CC=C2)F)C 1 1.998 3 1 0 -11.5948612267063 16193707 C1=CC(=CC=C1CC2=NN=C(O2)C3=CC=C(C=C3)F)Cl 1 3.958 2 1 -0.5746973210432 16193706 COC1=CC=C(C=C1)NC(=O)CCC2=NC3=CC=CC=C3N2 1 2.59 3 2 -8.26568745100296 16193705 COC1=C(C=C(C=C1)CCNC(=O)CN2CCN(C2=O)CC3=CC=CC=C3F)OC 1 2.32 3 4 0 -19.2002221126985 16193704 CCOCCCNC(=O)/C=C\1/C(=O)N(C2=CC=CC=C2S1)CC3=CC=CC=C3F 1 3.04 2 3 -9.46014956802452 16193703 CN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)/C=C\3/C(=O)N(C4=CC=CC=C4S3)CC5=CC=CC=C5F 1 4.436 4 2 -5.33274216386681 16193702 CC1=NC2=C(C=CC(=C2)C(=O)NCCCOC(C)C)SC3=CC=CC=C13 1 3.561 2 2 -12.4348187739261 16193701 COC1=CC=CC(=C1)C(=O)CC(=O)C(=O)NC2=CC(=C(C=C2OC)OC)Cl 1 3.026 1 6 0 -5.1754948328425 16193700 CCCCNC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C3=CC=CC=C3O2)C 1 3.259 2 3 -9.40319530019102 16193699 C[N+]1(C2CCC1CC(C2)O)CC#C.[Br-] Br- 1 0.108 1 1 0 -2.7098124700532 16193698 COCCCNC(=O)/C=C\1/C(=O)N(C2=CC=CC=C2S1)CC3=CC=CC=C3F 1 2.691 2 3 -7.95223762929477 16193697 C1CN(C(=O)N1CC2=C(C=C(C=C2)F)Cl)CC(=O)NCC3=CC=CS3 1 2.436 3 2 -15.5903503180547 16193695 CC1=C(C=C(C=C1)N2C(=CC(=N2)C)N)C.Cl Cl- 1 2.689 3 0 1.47063914543354 16193694 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N(C)C4=CC=C(C=C4)C 1 3.455 3 3 -6.25214943880231 16193693 CCS(=O)(=O)C1=NC(=C(S1)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.589 3 4 0 -13.8947469657216 16193692 CCS(=O)(=O)C1=NC(=C(S1)NCCCN(C)C)S(=O)(=O)C2=CC=C(C=C2)C 1 2.964 3 4 0 -14.4352273472708 16193691 COC1=CC(=CC(=C1OC)OC)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4C(=O)OC 1 2.995 3 8 0 -18.4534004332347 16193690 CC1=CC=C(C=C1)CCNC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=CS3)C 1 2.854 2 3 2.4395364906017 16193689 CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)NCC(=O)N2CCC(CC2)N(C)CCN3CCOCC3)OC 1 1.402 4 5 0 -17.3007034217199 16193688 COCCN1CC2=CC=CC(=C2C1=O)C(=O)NCCCN3CCCC3=O 1 -0.21 3 4 0 -26.3054516247078 16193687 CC(CCC1=CC=CO1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CCOC 1 1.786 2 4 0 -16.6034710040203 16193686 COC1=CC(=CC(=C1OC)OC)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=C(C=C4)F 1 3.965 2 6 0 -9.15148107532412 16193685 CCCCNC(=O)C1=C(C(=C(N1)C)C(=O)C)C 1 2.123 2 2 -11.5117388833745 16193684 COC1=CC=CC=C1CNC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4 1 2.205 3 3 -14.8683853219928 16193683 CCOC(=O)CC(C1=CC=C(C=C1)OC(C)C)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4 1 3.264 3 5 0 -16.2048731024492 16193682 CCC1=CC=CC(=C1NC(=S)NCC(C2=CN=CC=C2)N(C)C)C 1 4.541 4 0 -10.2461601039119 16193681 COC1=CC=C(C=C1)N2N=C(C(=NC3CCN(CC3)CC4=CC=CC=C4)N2O)[N+](=O)[O-] 1 2.726 6 4 0 5.35673598242785 16193680 CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)NCC3=CC=CO3 1 3.329 2 3 -2.31546804240943 16193679 CC1=CC(=C(C=C1)NC(=O)C2=C(C=CS2)N3C=CC=C3)Cl 1 4.594 2 1 -4.21191012787671 16193678 CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)C(=O)C3=CC4=C(N3CC5=C(C=CC=C5Cl)F)C=C(O4)C 1 4.071 4 5 0 -10.3958775131841 16193677 C1=CC=C(C(=C1)NC(=O)NC2=CC=CS2)Br 1 3.057 2 1 -7.42244056132191 16193676 CC1=CC=CC=C1NC(=O)CN2C(=O)CCC(=N2)C3=CC=C(C=C3)OC 1 2.361 3 3 -12.0714263635062 16193675 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC3=C(C=C2)N=C4CCCCN4C3=O)OC 1 2.966 3 4 0 -16.3590785801836 16193674 CC12CC(C3=C(O1)C(=CC=C3)OC)NC(=O)N2C4=CC=CC(=C4)C(=O)N5CCN(CC5)C6=CC=CC=C6 1 3.806 4 4 0 -7.66215151734153 16193673 CCN1CCN(CC1)CCCNC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)OC 1 1.395 5 3 0 -11.1252461312693 16193672 CC1=CC2=NC(=O)/C(=C\C3=CN(C4=CC=CC=C43)C)/C(=N)N2O1 1 2.083 4 2 -4.24392406108677 16193671 CC1=CC=C(C=C1)C2=NN=C(O2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.469 3 3 -5.61442088736622 16193670 COC1=CC(=CC(=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)OC 1 3.973 2 5 0 -8.16369016726557 16193669 CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N(C)CC3=CC=CC=C3 1 2.553 2 2 -10.697698644271 16193668 COC1=CC=CC(=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl 1 4.885 2 2 -4.3058586031934 16193667 C1=CC(=CC=C1CC2=NN=C(O2)C3=CC=C(C=C3)F)[N+](=O)[O-] 1 3.188 3 3 -4.90254386190097 16193666 COC1=CC=CC(=C1)NC2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)N5C2=NN=C5 1 4.08 5 2 0 1.33908072273505 16193665 CCOCCCNC(=O)CSCC1=C(OC(=N1)C2=CC=C(C=C2)SC)C 1 2.443 2 3 -2.79394466996745 16193664 CC1=C(N=C(O1)C2=CC=C(C=C2)SC)CSCC(=O)NCC(OC)OC 1 2.101 2 4 -1.49096318165629 16193663 CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CC=C(C=C3)OC 1 2.331 2 3 -11.7624423575932 16193662 CCN(CCCNC(=O)CSC1=CC(=O)N(C2=C1C=CC(=C2)Cl)C)CC3=CC=CC=C3 1 3.562 3 2 -8.87469222391734 16193661 CN1C2=C(C=CC(=C2)Cl)C(=CC1=O)SCC(=O)NCCCN(C)CC3=CC=CC=C3 1 3.213 3 2 -6.62628693904208 16193660 CCOC1=C(C=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)C=C(O3)C)OC 1 1.899 3 4 0 -13.5210835566283 16193659 CCC(C)NC(=O)CN1C2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C)C(=O)N(C1=O)C4=CC=C(C=C4)OC 1 4.124 4 5 0 -24.1449387717053 16193658 CCN(C1=CC=CC(=C1)C)C(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=C(C(=C4)OC)OC)OC 1 4.181 3 6 0 -13.8929347875253 16193657 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=C(C=C3)F 1 3.895 1 4 -12.656353953645 16193656 COC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3CCCO3 1 1.963 1 6 0 -18.6655829039054 16193655 COC1=CC=CC(=C1)N2C(N3CCCC3C2=O)C4=CC=CS4 1 3.303 2 2 -5.09055489479927 16193654 CN1C2=C(C=CC(=C2)Cl)C(=CC1=O)SCC(=O)NCCOC 1 1.297 2 3 0 -12.3649553378689 16193653 C1CC2C(=O)N(C(N2C1)C3=CC=CS3)C4=CC=C(C=C4)F 1 3.524 2 1 -4.29651614326212 16193652 CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CC=C(C=C3)F 1 2.553 2 2 -10.6375991229838 16193651 CN(C1CCCC1)C2CCN(CC2)C(=O)CNC(=O)/C=C/C3=CC(=CC=C3)C(F)(F)F 1 3.226 3 2 -6.85313012035096 16193650 CC1=CC=CC(=C1)C2=NC(=C(O2)C)CN3CCCC(C3)C(=O)NCC4=CC=C(C=C4)OC 1 3.955 3 3 13.4684882437783 16193649 C1=CC(=CC=C1CNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br)F 1 4.158 1 4 -11.4848665267588 16193648 CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC(=C5C)C 1 3.375 4 4 0 -3.58806505870651 16193647 COC1=CC=C(C=C1)NC(=S)NCC(C2=CN=CC=C2)N3CCOCC3 1 2.783 4 2 -18.1689516133091 16193646 CCCNC(=O)CSCC1=C(OC(=N1)C2=CC=C(C=C2)SC)C 1 3.035 2 2 0.768887046797243 16193645 CC1=CC2=NC(=O)/C(=C\C3=CC=CN3CCCOC4=CC=C(C=C4)OC)/C(=N)N2O1 1 2.853 4 4 0 -9.20692068167065 16193644 C1=CC=C(C(=C1)C2=NN=C(O2)CC3=CC=C(C=C3)[N+](=O)[O-])Cl 1 3.647 3 3 -6.74475341896917 16193642 CC1=CC=CC=C1N2C(C(C2=O)OC3=CC=C(C=C3)Cl)CNCCC4=CC(=C(C=C4)OC)OC.Cl Cl- 1 5.263 2 4 -2.10627900589356 16193641 CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C 1 3.585 6 2 0 -6.73110543165749 16193640 CCOC1=CC=C(C=C1)NC(=S)NCCN2CCN(CC2)CC3=CC=CC=C3 1 4.524 4 1 -6.80119077142113 16193639 CN(C1CCCC1)C2CCN(CC2)C(=O)CNC(=O)/C=C/C3=CC=CC=C3OC 1 2.268 3 3 -12.2583221904377 16193638 COC1=C(C=C(C=C1)NC2=C3CCCCC3=NC4=CC=CC=C42)OC 1 5.053 2 2 0.943641265422311 16193637 CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NC4CCN(CC4)CC5=CC=CC=C5 1 3.101 5 4 0 -10.3194446432911 16193636 CCC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NC4CCN(CC4)CC5=CC=CC=C5 1 3.557 5 4 0 -10.6940553325667 16193635 C1CN(CCN1CCCNC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3F 1 2.876 5 3 0 -6.36169415577655 16193634 CC1(CCC(=O)N1CCC2=CC(=C(C=C2)OC)OC)C(=O)NC3CCCC3 1 2.615 2 4 -11.2840321500758 16193633 COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCCCN3CCN(CC3)C4=CC=CC=C4F 1 2.924 5 3 0 -6.77769041394691 16193632 CC1=NC2=C(C=CC(=C2)C(=O)NCC3CCCO3)SC4=C1C=C(C=C4)Br 1 4.01 2 2 -10.9012537234603 16193631 CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)NCCCOC(C)C)N=C2C 1 4.047 2 2 -12.0392469554433 16193630 C1=CC=C(C=C1)CN=C2C(=NN(N2O)C3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 3.296 5 3 0 1.40264220243524 16193629 C1=CC=C(C=C1)C2=CSC(=NC3=CC=CC=C3)N2CCCO.Br Br- 1 3.11 2 1 1.48914556736785 16193628 C1CN(CCN1C2=[N+](N(N=C2[N+](=O)[O-])C3=CC(=CC=C3)Cl)[O-])C(=O)C4=CC=CO4 1 2.018 6 5 0 1.20556926143415 16193627 CC1=CC=C(C=C1)CCNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)N5N=C(N=N5)C 1 3.303 5 1 -7.45641323498197 16193626 CC1=NC(=C(N1CC2=CC(=C(C=C2)Cl)Cl)Br)[N+](=O)[O-] 1 4.097 3 2 -1.19376134503585 16193625 CCCN1CC2=CC=CC(=C2C1=O)C(=O)NC(CC(=O)OCC)C3=CC=C(C=C3)C 1 3.48 2 4 -14.696625883551 16193624 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)C(C)(C)C 1 4.167 2 3 -7.26956914227983 16193623 C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4C(=O)N(C3=O)CCCC(=O)NCC5=CC=CO5 1 2.266 5 5 0 -19.0736412937777 16193622 CC1=CC2=NC(=O)/C(=C\C3=CC=CN3CCOC4=CC=CC(=C4)OC)/C(=N)N2O1 1 2.79 4 4 0 -8.84526924679549 16193621 CC1=CC=CC=C1OCCN2C=CC=C2/C=C\3/C(=N)N4C(=NC3=O)C=C(O4)C 1 3.293 4 3 0 -7.69257562138314 16193620 CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)C=C(O3)C)OC(=O)C4=CC=CO4 1 2.743 3 6 0 -15.6046736908097 16193619 C1=CC=C(C(=C1)/C=C/2\C(=O)N(C3=CC=CC=C3O2)CC(=O)NCC4=CN=CC=C4)Cl 1 2.88 3 3 -10.5042995715523 16193618 CC1=CC2=NC(=O)/C(=C\C3=CC=C(C=C3)OC(=O)C4=CC=CO4)/C(=N)N2O1 1 2.411 3 5 0 -12.1441245350333 16193617 COCCNC(=O)CCCN1C(=O)C2=CC=CC=C2N(C1=O)CC3=CC(=CC=C3)[N+](=O)[O-] 1 1.952 4 6 0 -20.0657664869388 16193616 CCOC1=CC=C(C=C1)NC(=S)NCC(C2=CN=CC=C2)N3CCOCC3 1 3.132 4 2 -18.9351747650171 16193615 C1CN(CCC1NC(=O)CCCN2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC(=CC=C4)F)CC5=CC=CC=C5 1 4.088 4 3 0 -6.48622179262546 16193614 COCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NCCC4=CC(=C(C=C4)OC)OC 1 2.631 4 7 0 -23.5516501106058 16193613 C1CN(CCC1NC(=O)CCCCN2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4F)CC5=CC=CC=C5 1 4.545 4 3 0 -9.62173739349734 16193612 COCCCNC(=O)CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NCCC3=CCCCC3 1 1.603 4 5 0 -23.9220983192209 16193611 COCCCNC(=O)CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 1.147 4 7 0 -24.6769541040909 16193610 C1CN(CCC1NC(=O)CCCCN2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)CC5=CC=CC=C5 1 4.339 4 3 0 -9.47378645068245 16193609 C1CCC(CC1)NC(=O)NCC(C2=CN=CC=C2)N3CCOCC3 1 1.515 4 2 0 -20.0858988887637 16193608 C1CN(CCN1CCCNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)F 1 2.876 5 3 0 -4.29337338715671 16193607 C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4C(=O)N(C3=O)CCC(=O)NCC5=CC=CO5 1 1.944 5 5 0 -18.4473720829903 16193606 C1CN(CC2=CC=CC=C21)C(=O)CN3C=CC=C3C(=O)C4=CC=CC=C4 1 3.749 2 2 -13.2617624757782 16193605 COCCNC(=O)CSC1=C2CCCCC2=NC3=C1C=C(C=C3)Cl 1 3.671 2 2 -9.41086695495879 16193604 COCCCNC(=O)CN1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=C(C=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC 1 2.631 4 7 0 -23.5516501106058 16193603 CC1CC(CN(C1)CCCNC(=O)C2CCCN(C2)C3=NC4=C(C=C(C=C4S3)C)C)C 1 4.542 4 1 -8.29781104140774 16193602 CCC1=C(C(=CC=C1)CC)NC(=S)NCC(C2=CN=CC=C2)N(C)C 1 4.997 4 0 -9.03580363952435 16193601 C1CCC2=NC3=C(C=C(C=C3)Cl)C(=C2C1)SCC(=O)NCCCN4CCOCC4 1 3.691 3 2 -8.78803520446324 16193600 CCOC(=O)C1CCN(CC1)C(=O)CSC2=C3CCCC3=NC4=CC=CC=C42 1 3.564 2 3 -8.79859565294842 16193599 CC1=NC(=CC=C1)NC(=O)CSC2=C3CCCC3=NC4=CC=CC=C42 1 3.929 3 1 -4.28142738654508 16193598 CCS(=O)(=O)C1=NN2C(=N)/C(=C\C3=CC=C(O3)SCC4=CC=CO4)/C(=O)N=C2S1 1 3.792 4 5 0 -19.8921357900482 16193597 CN1C(=O)C(=CC2=CC=C(O2)SC3CCCCC3)C(=O)N(C1=O)C 1 3.196 2 4 -3.77693766054673 16193596 CCOC1=CC=C(C=C1)NC(=O)C2=C(C=CS2)N3C=CC=C3 1 3.776 2 2 -7.45211688190524 16193595 COC1=C(C=C(C=C1)NC(=O)NC2=CC=CS2)Cl 1 2.957 2 2 -5.55238133437773 16193594 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=CC(=CC=C3)Cl 1 2.91 4 1 -0.554603049484983 16193593 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=CC3=C(C=C2)N=C4CCCCN4C3=O 1 2.95 3 5 0 -15.5170897190486 16193592 COC1=CC=CC(=C1OC)/C=C/C(=O)NC2=CC3=C(C=C2)N=C4CCCCN4C3=O 1 2.966 3 4 0 -12.7977572758336 16193591 CC(C)C1=CC=C(C=C1)NC(=O)C2=C(C=CS2)N3C=CC=C3 1 4.638 2 1 -5.98946782440144 16193590 C1CCN2C(=NC3=C(C2=O)C=C(C=C3)NC(=O)/C=C/C4=CC=CO4)C1 1 2.394 3 3 -12.6031773878928 16193589 C1COCCN1C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl 1 1.953 3 4 0 -8.24604012072912 16193588 CCOC(=O)CNC(=S)N(CCCN1CCCCC1)CC2=CC=CS2 1 3.691 3 2 -12.1577467261229 16193587 CN1C(=O)CSC2=C1C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)F 1 2.289 3 2 -9.19141986556589 16193586 CC1=CC2=C(O1)C=C(N2CC3=C(C=CC=C3Cl)F)C(=O)N4CCC(CC4)C(=O)NCC(OC)OC 1 3.646 3 5 0 -16.0346601159067 16193585 CC1=CC=C(C=C1)CNC(=O)NC2=CC3=C(C=C2)SCC(=O)N3C 1 2.57 3 2 -9.90329689103114 16193584 CN1C(=O)CSC2=C1C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)OC 1 2.067 3 3 -10.3162631001753 16193583 CCCCNC(=O)CSC1=NC2=C(C=C(C=C2)N3CCOCC3)C(=O)N1CC4=CC=C(C=C4)OC 1 4.042 4 4 0 -22.2279045186407 16193582 CC(=O)NC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)SCC(=O)N3C 1 1.197 4 3 0 -10.848817241071 16193581 C1CN(CCC1NC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S)CC5=CC=CC=C5 1 4.227 5 3 0 -9.92864441901232 16193580 CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC(=CC=C2)OC 1 3.532 4 3 0 -10.4993530483547 16193579 CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC=CC=C2Cl 1 4.213 4 2 -9.64359859711457 16193578 CCCN1CCN(CC1)CCCNC(=O)CCN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 1.992 5 2 0 -10.4514303432091 16193577 CC1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C 1 2.731 4 1 -2.55222424372147 16193576 CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.995 2 4 -19.4135554764224 16193575 CCCS(=O)(=O)C1=NC(=C(S1)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.934 3 4 0 -18.0553262862027 16193574 CCCS(=O)(=O)C1=NC(=C(S1)NCCCN(C)C)S(=O)(=O)C2=CC=C(C=C2)C 1 3.487 3 4 0 -16.7738079771651 16193573 CCS(=O)(=O)C1=NC(=C(S1)NCCOC)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.81 2 5 0 -16.2311888992753 16193572 CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CSC3=C2CCCC3 1 3.308 2 2 -9.70930117806416 16193571 CCN(CC)CC.CC1=CC=CC=C1N2C3=C(C(=O)N(C(=S)N3)C4=CC=CC=C4OC)SC2=S NEt3 1 6.09 3 2 -7.19010455034364 16193570 CCN(CC)CC.CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=S)N3)C4=CC=C(C=C4)C)SC2=S NEt3 1 6.438 3 2 -5.89096528851195 16193569 CCN1C2=C(C(=O)N(C(=S)N2)C3=CC=CC=C3)SC1=S.CCN(CC)CC NEt3 1 4.296 3 1 -3.73701163841543 16193568 CCC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=S)N3)C4=CC=CC=C4OC)SC2=S.CCN(CC)CC NEt3 1 6.546 3 2 -5.53091075802503 16193567 CCN(CC)CC.CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=S)N3)C4=CC=CC=C4)SC2=S NEt3 1 5.952 3 2 -6.32068148066659 16193566 CCN(CC)CC.COC1=CC(=C(C=C1)N2C(=O)C3=C(NC2=S)N(C(=S)S3)C4=CC=CC=C4)OC NEt3 1 5.587 3 3 -5.20102014489092 16193565 CCN(CC)CC.COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(NC2=S)N(C(=S)S3)C4=CC=CC=C4 NEt3 1 5.587 3 3 -4.38731800576162 16193564 COCCCNC(=O)CCN1C(=O)C2=CC=CC=C2N(C1=O)CC3=CC(=CC=C3)[N+](=O)[O-] 1 1.693 4 6 0 -20.073109452005 16193563 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCOCC4 1 1.022 3 5 0 -10.2364193221088 16193562 CN(C1=CC=CC=C1Cl)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 3.857 3 2 -13.2812656398933 16193560 C1COCCN1CCNC(=O)C2=CC=C(C=C2)CSC3=NC4=C(N3CC5=CC=C(C=C5)F)C=NC=C4 1 3.891 5 2 0 -18.2070444068976 16193559 CCOC(=O)CNC(=S)N(CCCN1CCCCCC1)CC2=CC=CS2 1 4.147 3 2 -12.1577467261229 16193558 C1=CC(=CC(=C1)F)CNC(=O)CC2=CC=CS2 1 2.815 1 1 -9.93782390979515 16193557 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)OCC)OCC 1 4.013 4 6 0 -10.8867775092214 16193556 C1=CC=C(C=C1)C(=O)C2=CC=CN2CC(=O)NCC3=CC(=CC=C3)Cl 1 4.132 2 2 -11.858505852624 16193555 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4 1 2.77 3 3 -10.4206383627814 16193554 CCN(CC)CC.COC1=CC=CC(=C1)N2C3=C(C(=O)N(C(=S)N3)C4=CC=CC=C4OC)SC2=S NEt3 1 5.587 3 3 -4.94660510804802 16193553 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N(C)C4CCCCC4 1 3.251 3 3 -8.82329551918878 16193552 CN1C(=O)CSC2=C1C=C(C=C2)NC(=O)NCC3=CC=CC=C3 1 2.083 3 2 -10.7181117958107 16193551 CC1=CC(=CC(=C1)N=C2C(=NN(N2O)C3=CC=C(C=C3)Cl)[N+](=O)[O-])C 1 4.262 5 3 0 5.39189794896402 16193550 C1C2=CC=CC(=C2C(=O)N1CC3=CN=CC=C3)C(=O)NCC4=CC=C(C=C4)F 1 2.427 3 2 -11.6670625832893 16193549 CC(=O)NC1=CC=C(C=C1)OCCOC2=CC=C(C=C2)/C=C\3/C(=N)N4C=CSC4=NC3=O 1 2.548 4 4 0 -19.2219850638048 16193548 COC1=CC(=C(C=C1)OC)NC(=S)NCC(C2=CN=CC=C2)N3CCOCC3 1 2.767 4 3 0 -19.41285599021 16193547 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)/C=C\3/C(=O)N(C4=CC=CC=C4S3)CC5=CC=CC=C5F 1 4.441 3 2 -2.41546997807322 16193546 CCOC1=C(C=C(C=C1)C(CC(=O)OCC)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4)OC 1 2.87 3 6 0 -20.2107679788508 16193545 CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)C=C(O3)C)OC 1 1.899 3 4 0 -13.1992743944969 16193544 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)SCC(=O)N4C 1 3.308 4 2 -7.55633871282363 16193543 C[N+]1(C2CCC1CC(C2)O)CC=C.[Br-] Br- 1 -0.467 1 1 0 -3.22478087754814 16193542 CCOC(=O)CNC(=S)N(CCCN1CCCC1)CC2=CC=CS2 1 3.235 3 2 -11.8032782119548 16193541 CS(=O)(=O)C1=NC(=C(S1)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.24 3 4 0 -10.3947188566152 16193540 CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC(=CC=C2)SC 1 4.091 4 2 -8.41165533329852 16193539 CC1=CC(=CC=C1)CN2CCC(CC2)CNC(=O)CSC3=CC(=O)N(C4=C3C=CC(=C4)Cl)C 1 4.187 3 2 -3.9106404185168 16193538 CC1CCCCC1N(C)C2CCN(CC2)C(=O)CNC(=O)/C=C/C3=CC=CC=C3C 1 3.546 3 2 -11.1505260674844 16193537 C1CC(OC1)CNC(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CCC5=CC=CC=C5 1 3.409 4 4 0 -23.962523917152 16193536 CCOC(=O)N1CCN(CC1)C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)N5C2=NN=C5 1 2.934 6 3 0 0.735240710420533 16193535 C1COCCN1C(CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3 1 2.694 5 3 0 -20.2618332544359 16193534 CC1=NC2=NC(=NN2C(=C1)SCC3=CC=C(C=C3)C=C)C 1 3.695 4 0 -8.48996506617478 16193533 CN(CCCNC(=O)CN1C=CC=C1C(=O)C2=CC=CC=C2)C3CCCCC3 1 3.944 3 2 -18.2903019866426 16193532 CCOC1=C(C=C(C=C1)CCNC(=O)CCC2=NC3=CC=CC=C3N2)OCC 1 3.599 3 3 -18.1161343152278 16193531 COC1=CC(=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CC=C3)N)OC 1 1.214 6 4 0 -26.4523643799766 16193529 CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC(=CC=C2)Cl 1 4.213 4 2 -7.76526592582781 16193528 C1CCC2=NC3=CC=CC=C3C(=C2C1)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-] 1 5.222 4 2 2.30868151935063 16193527 C1CN(CCN1CCCNC(=O)CCCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=O)C4=CC=C(C=C4)F 1 3.1 5 3 0 -10.6965061462427 16193526 C1CCC(=CC1)CCNC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NC4CCN(CC4)CC5=CC=CC=C5 1 3.366 5 4 0 -17.6945263692659 16193525 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCCCN4CCC5=CC=CC=C5C4)C(=C2)C 1 5.431 6 0 -10.1579419482913 16193524 CC1(CCC(=O)N1CC2=CC3=C(C=C2)OCO3)C(=O)NC4CCCCC4 1 2.551 2 4 -9.71016995780439 16193523 C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2CCCN4CCOCC4)SC5=CC=CC=C53 1 2.697 4 4 0 -25.0102823666133 16193522 CCS(=O)(=O)C1=NC(=C(S1)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.411 3 4 0 -15.7167456563085 16193521 COC1=CC(=C(C=C1)CCNC(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3)OC 1 3.756 2 4 -16.7125364528953 16193520 C1CCC(=CC1)CCNC(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3 1 4.212 2 2 -16.7797550210836 16193519 CN(CCN1CCOCC1)C2CCN(CC2)C(=O)CNC(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 0.676 4 5 0 -16.8879067260054 16193518 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)NCCCN4CCCC4=O)OCC 1 1.943 4 6 0 -27.5407891011394 16193517 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCN3CCN(CC3)C4=CC=C(C=C4)OC)OCC 1 3.249 4 5 0 -5.46978433323398 16193516 CC1=CC=C(C=C1)C2=NN(CC2)C3=CC=C(C=C3)C=NNC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 4.859 4 4 0 -8.52386739726986 16193515 CC(C1=CC2=C(C=C1)OCCO2)NC(=O)CN3C=CC=C3C(=O)C4=CC=CC=C4 1 3.631 2 4 -14.828080747117 16193514 CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCNC(=O)CN3C=CC=C3C(=O)C4=CC=CC=C4 1 4.687 4 2 -11.2521090194833 16193513 CCOC(CNC(=O)C1=NN=C(O1)CC2=CC(=C(C(=C2)OC)OC)OC)OCC 1 1.365 3 7 0 -14.4742627622043 16193512 CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)CC(=O)NC5=CC=C(C=C5)OC 1 2.507 5 2 0 -7.1662019679089 16193511 COC1=CC=C(C=C1)NC(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F 1 2.965 4 2 -2.75060748789481 16193510 C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C4=NN=CN34)NC5=CC=CC=C5 1 4.096 5 1 0.790146815983756 16193509 COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F 1 2.924 5 3 0 -6.63902473499572 16193508 CCC1=CC=CC=C1NC(=O)NC2=CC=CS2 1 3.251 2 1 -8.06250120193913 16193507 COC1=CC=C(C=C1)/C=C/C(=O)NC2=CC3=C(C=C2)N=C4CCCCN4C3=O 1 2.982 3 3 -12.3515488815749 16193506 C1CN(CCC1C(=O)NCC2=CC=CC=C2F)C(=O)C3=C(C=CS3)N4C=CC=C4 1 3.542 3 2 -14.3670288942291 16193505 CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC(=CC(=C2)Cl)Cl 1 4.878 4 2 -9.58674998147001 16193504 CCN(C1=CC=C(C=C1)OC)C(=O)C2=NN(C(=O)C3=C2C4=CC=CC=C4N3C)C5=CC=C(C=C5)OC 1 4.859 4 4 0 -7.59008675056978 16193503 C1CN(CCC1N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-])CC5=CC=CC=C5 1 2.529 6 5 0 3.74328824968354 16193502 CCC1=NC2=C(C=CC(=C2)C(=O)NCCCOCC)SC3=C1C=C(C=C3)Br 1 4.599 2 2 -14.0438073593395 16193501 CC1=CC(=NO1)N2C(N3CCCC3C2=O)C4=CC=C(C=C4)OC 1 2.482 3 3 -6.6092322357727 16193500 CCC1=C(NC(=C1C(=O)C)C)C(=O)NCCC2=CC(=C(C=C2)OCC)OCC 1 3.82 2 4 -14.4099891584095 16193499 COC1=C(C=C(C=C1)C=NNC(=O)C2=CN=CC=C2)CN3CCN(CC3)C4=CC=C(C=C4)F 1 3.424 5 2 0 -4.2981579813789 16193498 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)N6CCOCC6)NC4=S 1 4.602 5 4 0 -5.87843633076514 16193497 CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC=CC=C2OC 1 3.532 4 3 0 -13.104934667461 16193496 COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NCC4CCCO4)OC 1 1.575 4 7 0 -27.9024899411451 16193495 CCN(CC)CC.CC1=CC(=C(C=C1)N2C3=C(C(=O)N(C(=S)N3)C4=CC=CC=C4OC)SC2=S)C NEt3 1 6.576 3 2 -5.72389435649646 16193494 COCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5N4 1 3.091 4 3 0 -4.59563991751658 16193493 CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCN(CC2)C3CCCCC3 1 4.733 4 2 -10.9887256008109 16193492 CCN(CC)CC.CC1=CC=CC=C1N2C3=C(C(=O)N(C(=S)N3)C4=C(C=CC(=C4)OC)OC)SC2=S NEt3 1 6.073 3 3 -5.66862758006574 16193491 CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NC4=CC(=CC=C4)F 1 2.35 3 4 0 -8.84658635345927 16193490 CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3C(=O)NC4=CC(=C(C(=C4)OC)OC)OC)C5=CC=C(C=C5)OC 1 4.272 4 6 0 -9.35398492191807 16193489 CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl 1 3.067 4 4 0 -2.45848399939625 16193488 COCCN1CC2=CC=CC(=C2C1=O)C(=O)NCC3=CC=CS3 1 1.398 2 3 0 -17.0818857314853 16193487 CCCN1CCN(CC1)C(=O)C2=NN(C(=O)C3=C2C4=CC=CC=C4N3C)C5=CC=C(C=C5)OC 1 3.78 5 3 0 -4.84139612277155 16193486 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)NCCCN4CCC(CC4)C)OCC 1 3.597 4 5 0 -17.0588105777717 16193485 CC1=CC=CC=C1/C=C\2/C(=O)N(C3=CC=CC=C3S2)CC(=O)NCCCOC 1 2.758 2 3 -11.7460987086844 16193484 CCOCCCNC(=O)CN1C2=CC=CC=C2S/C(=C\C3=CC=CC=C3C)/C1=O 1 3.107 2 3 -13.2540106474142 16193483 CCCN1CC2=CC=CC(=C2C1=O)C(=O)NCC3=CC=C(C=C3)C 1 3.147 2 2 -12.2543005828264 16193482 CCCN1CC2=CC=CC(=C2C1=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 2.896 3 3 -6.05990182830411 16193481 CCOC1=CC=C(C=C1)N/C(=C(/C#N)\C(=O)N)/SCC2=CC(=CC=C2)[N+](=O)[O-] 1 3.513 4 4 0 -23.6920543675269 16193480 CCN1C(=C(C(=N1)C)CNC(=O)NC2=CC=C(C=C2)C(=O)OCC)C 1 2.16 4 3 0 -11.8686332832038 16193479 CCN1C(=C(C(=N1)C)CNC(=O)NC2=CC=CC=C2C(=O)OC)C 1 1.812 4 3 0 -15.8991227163225 16193478 CC1=C(C(=NN1C)C)CNC(=O)NC2=CC=CC=C2C(=O)OC 1 1.463 4 3 0 -12.7672238178504 16193477 CC1=C(C=C(C=C1)NC(=O)NCC2=C(N(N=C2C)C)C)Cl 1 2.758 4 1 -4.28906751980677 16193476 CC1=C(C(=NN1C)C)CNC(=O)NC2=CC=C(C=C2)Cl 1 2.272 4 1 -2.71062808879487 16193474 CC1=C(C(=CC=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)C4CCNCC4)C.Cl Cl- 1 4.255 4 1 -4.17853279521196 16193473 CC1CCC2=C(C1)C(=NO2)C(=O)NCC3=CC=CO3 1 2.321 2 3 -18.2329818535128 16193472 CCCCNC(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CCC(=O)NCCC4=CC(=C(C=C4)OC)OC)OCO3 1 3.573 4 7 0 -31.3691298806299 16193471 COC1=CC=CC(=C1)N/C(=C(/C#N)\C(=O)NCC2=CC=CS2)/SC 1 3.216 3 2 -20.9486174896196 16193470 COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3CCC(CC3)CNC4=NC(=S)NC5=CC=CC=C54 1 4.962 6 2 0 -13.5436792328236 16193469 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3CCC4(CC3)OCCO4)[N+](=O)[O-] 1 1.521 4 7 0 -14.3842962381731 16193468 C1CN(CCC12OCCO2)C3=C(C=C(C=C3)C(=O)N4CCOCC4)[N+](=O)[O-] 1 1.053 3 6 0 -11.8537296200519 16193467 CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCC4(CC3)OCCO4)[N+](=O)[O-] 1 2.601 3 5 0 -11.9587478057588 16193466 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCC4(CC3)OCCO4)[N+](=O)[O-] 1 2.282 3 5 0 -9.63578976829274 16193465 CC(C)N(C(C)C)C(=O)CN1C=C(C2=CC=CC=C21)SCC(=O)NCC3CCCO3 1 3.008 3 3 -22.8248015216641 16193464 CC(C)N(C(C)C)C(=O)CN1C=C(C2=CC=CC=C21)SCC(=O)NCC3=CC=CO3 1 3.414 3 3 -20.4927593901115 16193463 CC1=CC=CC=C1C2=[N+](C(=C(O2)C)C)[O-].Cl Cl- 1 1.722 1 2 0 2.14617892199676 16193462 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCCCCNC3=NC(=S)NC4=CC=CC=C43 1 4.557 5 2 0 -9.04906926372385 16193461 C1CN(CCN1CCCNC(=O)CC2=CSC(=N2)NC3=NC(=S)NC4=CC=CC=C43)C5=CC(=CC=C5)Cl 1 4.936 7 1 0 -2.65629684416266 16193460 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=O)N2CCCC(=O)NCCC4=CC=CC=C4)SC=C3 1 3.499 5 4 0 -43.6058524557495 16193459 CCN1C(=C(C(=N1)C)CNC(=O)NC2=CC3=C(C=C2)OCO3)C 1 1.724 4 3 0 -10.6210952431157 16193458 COC1=CC(=C(C=C1)C=NNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3)OC 1 4.217 2 4 -5.28944520890323 16193457 CCN(CC)C(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CCCC(=O)NCCC4=CC(=C(C=C4)OC)OC)OCO3 1 3.469 4 7 0 -35.2711893582354 16193456 C1=CC=NC(=C1)C=NNC(=O)CNC(=O)C2=CC=NC=C2 1 -0.13 5 2 0 -11.6017629596767 16193455 CC(=NNC(=O)CNC(=O)C1=CC=CC=N1)C2=CC(=CC=C2)[N+](=O)[O-] 1 0.896 5 4 0 -18.6660983996172 16193454 C1=CC=[N+](C=C1)CC(=O)NN=CC2=CC=C(C=C2)F.[Cl-] Cl- 1 2.345 3 1 -6.27205149408674 16193453 C1=CC=[N+](C=C1)CC(=O)NN=CC2=CC=CC=C2F.[Cl-] Cl- 1 2.345 3 1 -5.8062897479732 16193452 CC1=CC=C(O1)C2=CC(=NN2)C(=O)NN=C/C(=C/C3=CC=CC=C3)/Br 1 3.719 4 2 -5.0649965850144 16193451 CCN(CC)C(=O)C1=C(C2=C(S1)N(C(=O)N(C2=O)C3=C(C=C(C=C3)OC)OC)CC(=O)NC4=CC=CC=C4OCC)C 1 4.164 4 7 0 -23.5153050268564 16193450 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)F)NC(=O)C4=CN=CC=C4 1 2.587 4 2 -6.85788814344052 16193449 CC1=C(C=CC=C1Cl)NC(=O)NCC2=C(N(N=C2C)C)C 1 2.758 4 1 -4.59222318351096 16193448 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CC3=CC=CO3)C4=CC=CC=C4 1 2.945 3 5 0 -15.7997905232378 16193447 CCC(C(=O)NCCOC)SC1=NC2=CC(=C(C=C2C(=O)N1CCC3=CC(=C(C=C3)OC)OC)OC)OC 1 4.012 3 7 0 -25.9745216526691 16193446 CC1=CC=CC=C1C(=O)OC2C(=C(C(=O)O2)Cl)NC3=CC=CC=C3 1 4.036 1 4 -7.74631542108919 16193445 C1=CC=C(C=C1)/C=C(/C=NNC(=O)C2=CC=NC=C2)\Cl 1 2.261 3 1 -6.1561537223538 16193444 CC(=NNC(=O)CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(CCCC3)C=C2 1 3.187 3 5 0 -19.5715451146063 16193443 CC(=NNC(=O)CNC(=O)C1=CC(=CC=C1)F)C2=CC3=C(CCCC3)C=C2 1 3.442 3 2 -14.8542370687732 16193442 C1=CC=C2C(=C1)N=C(N2CC(=O)NN=CC3=CC=CC=N3)C4=CC=CC=N4 1 2.737 6 1 0 -4.30849117364744 16193440 CN(C)CCN1C2=CC=CC=C2N(C1=N)CC(C3=CC(=C(C=C3)Cl)Cl)O.Cl Cl- 1 3.699 4 1 1.7731365265785 16193439 CCOC(=O)C1CCC(CC1)CNCC2=CC=CC=C2C.Cl Cl- 1 3.801 1 2 -6.71373982623484 16193438 C1=CC=[N+](C=C1)CC(=O)NN=CC2=CC=CO2.[Cl-] Cl- 1 1.534 3 2 0 -7.42615742144321 16193437 COC1=CC=CC(=C1)N/C(=C(/C#N)\C(=O)N)/SCC2=CC(=CC=C2)[N+](=O)[O-] 1 3.165 4 4 0 -23.1327308595323 16193436 CN(C)CCCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC=CO3.Cl Cl- 1 3.453 3 2 -2.84431450959661 16193435 CC1=CC=C(O1)C=NNC(=O)C2=CC=CC=C2OCC3=CC(=CC=C3)Br 1 4.539 2 3 -5.22922310413383 16193434 CC(C)N(C(C)C)C(=O)CN1C=C(C2=CC=CC=C21)SCC(=O)NC 1 2.649 3 2 -15.6544013082484 16193433 CC(C(=O)NN=CC1=CC(=C(C=C1)OC)[N+](=O)[O-])SC2=CC=CC=N2 1 2.827 4 4 0 -11.4791912230868 16193432 CCOC(=O)CC1=CC=C(C=C1)NCC2=CC=C(C=C2)Cl.Cl Cl- 1 4.125 1 2 -6.66927610179502 16193431 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=CC=CO2 1 2.885 2 2 -6.34659481480958 16193430 CC(C(=O)NN=CC1=C(C=CC(=C1)Br)OC)NC2=CC=C(C=C2)OC 1 3.543 3 3 -5.38861147402818 16193429 CC1=NC=C(C=C1)C(=O)NN=C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.07 4 3 0 -5.14443058349499 16193428 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC(=S)NC4=CC(=CC=C4)F 1 5.768 4 0 4.52173755938695 16193427 CCOC(=O)CCNCC1=CC=C(C=C1)F.Cl Cl- 1 1.877 1 2 0 -5.31042944270145 16193426 CC1=CC(=C(C=C1)NC2=C(C(=O)OC2OC(=O)C3=CC=CC=C3)Cl)C 1 4.522 1 4 -7.44722108846324 16193425 C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NN)[N+](=O)[O-] 1 1.77 4 3 0 -6.3751532229636 16193424 CC(C)(C)NC(=O)C1=CC(=NN1)C2=CC=CC=C2 1 2.651 3 1 -6.22542596525596 16193423 C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCC4(CC3)OCCO4)[N+](=O)[O-] 1 2.738 3 5 0 -9.63578976829274 16193422 CC(=NNC(=O)CNC(=O)C1=CC=CC=C1F)C2=CC3=C(CCCC3)C=C2 1 3.442 3 2 -17.7677968985125 16193421 CC1=C(C(=NN1C)C)CNC(=O)NC2=CC3=C(C=C2)OCO3 1 1.375 4 3 0 -7.48919634464356 16193420 CC1=CC=C(O1)C=NNC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 1.68 3 2 0 -7.28288338036383 16193419 C1=CC=C(C(=C1)C(=O)NN=CC2=CN=CC=C2)OCC3=CC=C(C=C3)Br 1 3.848 3 2 -4.76926761910393 16193418 CCOC(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CCC(=O)NCCC4=CC(=C(C=C4)OC)OC)OCO3 1 3.24 3 8 0 -31.7134373237904 16193417 CCC1=CC=CC=C1NN/C(=C\2/C(=O)C=C(OC2=O)C)/C 1 2.662 2 3 -5.90263439884635 16193416 C1=CC=C(C(=C1)C(=O)NN=CC2=CN=CC=C2)OCC3=CC(=CC=C3)Br 1 3.848 3 2 -5.01324595178511 16193415 COC1=CC=CC=C1NC(=S)N(CCN2CCOCC2)CC3=CC=CC=C3F 1 4.647 3 2 -9.26022559626481 16193414 CC1=CC=C(O1)CN(CC2=CC=CC=C2)C(=S)NCC(=O)NCC3=CN=CC=C3 1 3.18 4 2 -19.2180958033175 16193413 CC(=O)N1CCC(CC1)N(CCN2CCOCC2)C(=S)NC3=C(C=C(C=C3)Cl)OC 1 2.892 4 3 0 -13.8337292446868 16193412 CC(=O)N1CCC(CC1)N(CCN2CCOCC2)C(=S)NC3=CC(=C(C=C3)OC)Cl 1 2.892 4 3 0 -12.6187803361385 16193411 COC1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC=CC=C3F 1 4.647 3 2 -6.8429363748338 16193410 CC(C1=CC2=C(O1)C(=CC=C2)OC)N(CCCN3CCOCC3)C(=S)NC4=CC=C(C=C4)OC 1 5.353 3 4 0 -4.85173583757725 16193409 CC(C1=CC2=C(O1)C(=CC=C2)OC)N(CCCN3CCOCC3)C(=S)NC4=CC(=CC=C4)OC 1 5.353 3 4 0 -5.05863548129064 16193408 CC1=CC(=C(C=C1)C)NC(=S)N(CCCN2CCOCC2)C(C)C3=CC4=C(O3)C(=CC=C4)OC 1 6.342 3 3 -5.65614975126672 16193407 CC1=CC(=CC(=C1)NC(=S)N(CCCN2CCOCC2)C(C)C3=CC4=C(O3)C(=CC=C4)OC)C 1 6.342 3 3 -5.13614438039426 16193406 CC1=C(C(=CC=C1)C)NC(=S)N(CCCN2CCOCC2)C(C)C3=CC4=C(O3)C(=CC=C4)OC 1 6.342 3 3 -6.21646094126962 16193405 CC1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)C(C)C3=CC4=C(O3)C(=CC=C4)OC 1 5.856 3 3 -4.60754247734255 16193404 CCCCN(C1CCN(CC1)C(=O)C)C(=S)NC2=CC(=CC=C2)SC 1 4.289 3 1 -10.0019628634979 16193403 CCOC1=CC=C(C=C1)NC(=S)N2CCCN(C2)CC3=C(C=CC(=C3)C)C 1 5.938 3 1 -6.6054454175141 16193402 CSC1=CC=CC(=C1)NC(=S)N2CCCN(C2)CC3=CC(=CC=C3)Cl 1 5.839 3 0 -1.97212512606011 16193401 COC1=CC=C(C=C1)NC(=S)N2CCCN(C2)CC3=CC(=CC=C3)Cl 1 5.281 3 1 -3.92396614603793 16193400 C1CCC(C1)NC(=O)CN2CCCN(C2=O)CC3=C(C=C(C=C3)F)Cl 1 2.577 3 2 -10.4984604410305 16193399 CC1=CC(=C(C=C1)C)CN2CCCN(C2)C(=S)NC3=CC=C(C=C3)OC 1 5.589 3 1 -5.83922226580608 16193398 CC(=O)N1CCC(CC1)N(CCN2CCOCC2)C(=S)NC3=C(C=CC(=C3)Cl)OC 1 2.892 4 3 0 -11.2952825526804 16193397 CCCCNC(=O)CNC(=S)N(CC1=CC=CC=C1F)C2CCCCC2 1 5.229 3 1 -15.6308295384117 16193396 CC1=NN=C(S1)SC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO 1 1.479 6 4 0 -4.11103049701317 16193395 CCC1=CC=CC=C1NC(=S)N(CCN2CCOCC2)CC3=CC=CC=C3F 1 5.606 3 1 -7.97233656740713 16193394 C1CCC(C1)N(CC2=CC=CC=C2Cl)C(=S)NCC(=O)NCCCN3CCOCC3 1 3.792 4 2 -15.3508766307348 16193393 C1CCC(CC1)N(CC2=CC=CC=C2F)C(=S)NCC(=O)NCCN3CCOCC3 1 3.727 4 2 -15.5306366527704 16193392 CC(C)CCN(C1CCN(CC1)C(=O)C)C(=S)NC2=CC(=CC=C2)SC 1 4.54 3 1 -11.0109102066564 16193391 CCC(C)NC(=O)CNC(=S)N(CC1=CC=C(C=C1)F)C2CCCCC2 1 5.15 3 1 -17.9636529500696 16193390 C1CCC(CC1)N(CC2=CC=CC=C2F)C(=S)NCC(=O)NCC3CCCO3 1 4.259 3 2 -17.8370533784984 16193389 CC1=C(C=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)N4CCN(CC4)C5=CC=CC=N5)O)C 1 3.59 5 3 0 -1.46147751702157 16193388 CCN(CC)CCNC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C2=C(C=CC(=C2)Br)NC(=O)C 1 2.413 4 4 0 -14.3585496727735 16193387 C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=S)NCC(=O)NCCN3CCOCC3 1 3.727 4 2 -15.5808276921231 16193386 C1CCC(C1)N(CC2=CC=CC=C2Cl)C(=S)NCC(=O)NCCN3CCOCC3 1 3.729 4 2 -15.1580891922194 16193385 CCN(CC)CCNC(=O)CNC(=S)N(CCCN1CCOCC1)CC2=CC=CS2 1 2.302 5 2 0 -16.4511854867354 16193384 CCN(CC)CCCNC(=O)CNC(=S)N(CCCN1CCOCC1)CC2=CC=CS2 1 2.364 5 2 0 -17.8537572685539 16193383 CCOCCCN1C(C(=O)N(CC1=O)C2CCC(CC2)C)C3=CC=C(C=C3)C 1 3.126 2 3 -13.231352387253 16193382 C1CCC(CC1)N(CC2=CC=CC=C2F)C(=S)NCC(=O)NCCCN3CCOCC3 1 3.789 4 2 -15.7234240912859 16193381 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CN(C4=CC=CC=C43)C 1 3.729 4 2 -5.50664625094673 16193380 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NC(C)C3=CC=CC=C3 1 3.93 1 3 -9.34319153720415 16193379 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.44 2 5 0 -7.4239881644595 16193378 CC1=NN(C(=C1)C(=O)NCCC2=CC=C(C=C2)SC)C3=CC=CC=C3 1 4.285 3 1 -4.0579279966395 16193377 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCC3=CC=CS3 1 1.878 2 3 0 -11.5275556429213 16193376 CSC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)NCCC3=CC=C(C=C3)Cl)N 1 3.721 5 1 -12.9190284934588 16193375 COCCCNC(=O)[C@H](CSCC1=CC=CC=C1)N2CC3=CC=CC=C3C2=O 1 2.321 2 3 -20.5890594446449 16193374 COCCNC(=O)[C@H](CSCC1=CC=CC=C1)N2CC3=CC=CC=C3C2=O 1 2.259 2 3 -19.9554472687913 16193373 C1CC(=O)N(C1)CCCNC(=O)[C@H](CSCC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O 1 2.106 3 3 -30.0235770945452 16193372 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.426 2 5 0 -12.3303940512318 16193371 CCCOC(=O)CCCCCCCCC(CN1CCCCC1)O.Cl Cl- 1 4.612 1 3 -11.6653802433348 16193370 CC1=CC=C(C=C1)CCNC(=O)C2=CC(=NN2C3=CC=CC=C3)C 1 4.229 3 1 -6.45134153144312 16193369 CCN1C2=C(C=CC(=C2)C(=O)N3CCOCC3)S(=O)C4=CC=CC=C4C1=O 1 1.447 2 4 0 -10.4495236351877 16193368 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)NCCCN(C)CC3=CC=CC=C3 1 2.56 3 3 -10.2196209572137 16193367 CC1=CC(=CC=C1)CCNC(=O)COC2=CC(=O)N(C3=CC=CC=C32)C 1 2.596 2 3 -6.88598754970672 16193366 CC1=NN(C(=C1)C(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4 1 4.323 3 1 -6.02732276526192 16193365 CC1=C(C(=CC=C1)NC(=S)N(CCCN2CCOCC2)C(C)C3=CC4=C(O3)C(=CC=C4)OC)C 1 6.342 3 3 -3.15517802562337 16193364 C1CCCN(CC1)C(=O)CNC(=S)N(CCCN2CCOCC2)CC3=CC=CS3 1 3.045 4 2 -14.5672628955665 16193363 CCOC1=C(C=C(C=C1)CCNC(=O)COC2=CC(=O)N(C3=CC=CC=C32)C)OCC 1 2.775 2 5 0 -13.4396574041547 16193362 CCC1=CC=CC=C1NC(=S)N(CCN2CCOCC2)C3CCN(CC3)C(=O)C 1 3.187 4 2 -13.0343948382535 16193361 CC1=C(C=C(C=C1)NC(=S)N(CCCN2CCOCC2)C(C)C3=CC4=C(O3)C(=CC=C4)OC)C 1 6.342 3 3 -4.9952951962043 16193360 CCOC1=CC=C(C=C1)NC(=S)N2CCCN(C2)CC3=CC(=CC=C3)Cl 1 5.63 3 1 -4.69018929774595 16193359 CCCNC(=O)CNC(=S)N(CC1=CC=CC=C1F)C2CCCCC2 1 4.773 3 1 -14.9249482396001 16193358 CCC(C)NC(=O)CNC(=S)N(CC1=CC=CC=C1F)C2CCCCC2 1 5.15 3 1 -17.9134619107169 16193357 CC(=O)NC1=CC=CC=C1C(=O)C(=O)NC2=CC=CC(=C2)C(=O)NCC3CCCO3 1 1.187 3 5 0 -21.8359369089017 16193356 CCOC1=CC=C(C=C1)CCNC(=O)C2=CC(=NN2C3=CC=CC=C3)C 1 4.075 3 2 -7.44223429796148 16193355 CCCCNC(=O)C1=CC(=NN1C2=CC=CC=C2)C 1 3.167 3 1 -9.35528363780285 16193354 CC1=NN(C(=C1)C(=O)NCCCOC)C2=CC=CC=C2 1 1.77 3 2 0 -10.7043221170262 16193353 CCN(CC)CCNC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C2=CC=CC=C2NC(=O)C 1 1.665 4 4 0 -17.5205269480845 16193352 CN(C)CCNC(=O)CNC(=S)N(CCCN1CCOCC1)CC2=CC=CS2 1 1.604 5 2 0 -13.9619932729405 16193351 CC1=C(C=CC(=C1)F)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C 1 4.106 3 1 -6.92714955245839 16193350 CC(=O)NC1=CC=CC=C1C(=O)C(=O)NC2=CC=C(C=C2)C(=O)NCC3CCCO3 1 1.187 3 5 0 -21.7110959302409 16193349 C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2C4=CC=CC=C4)CCN.Cl Cl- 1 5.142 2 0 0.700927012860997 16193348 CCN\1C2=C(C=CC(=C2)C)S/C1=C\C3=[N+](C4=CC=CC=C4C=C3)CC.[I-] I- 1 6.76 2 0 17.3647818032583 16193347 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCC3=CC=CS3 1 1.529 2 3 0 -11.5848942729918 16193346 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCCC3=CC=C(C=C3)Cl 1 2.775 2 3 -6.22569600183735 16193345 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCC3=CC=C(C=C3)OC 1 1.773 2 4 0 -8.981171464799 16193344 CC1=CC(=NC=C1)NC(=O)COC2=CC(=O)N(C3=CC=CC=C32)C 1 1.657 3 3 0 -3.84899838621289 16193343 CN1C2=C(C=C(C=C2)Cl)C(=CC1=O)SCC(=O)NCCCN(C)CC3=CC=CC=C3 1 3.213 3 2 -5.70079463507243 16193342 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NC3=CC(=C(C=C3)OC)OC 1 2.098 2 5 0 -9.89666229170682 16193341 CC1=NN(C(=C1)C(=O)NC2=C(C(=C(C(=C2F)F)F)F)F)C3=CC=CC=C3 1 4.442 3 1 -4.18246018379353 16193340 CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(C(=O)OC23CCCCC3)C)OCC 1 4.286 1 5 -11.636775494054 16193339 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.647 2 5 0 -16.4777153373807 16193338 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)NCC3=C(C=C(C=C3)F)Cl 1 3.228 2 3 -12.5080466146466 16193337 CC1=CC(=C(C=C1)OC)NC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)C(F)(F)F)N 1 3.599 5 2 0 -13.1923427042867 16193336 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(N=N3)CC4=CC=C(C=C4)Br)N 1 2.71 5 3 0 -19.0009766764598 16193335 COC(CNC(=O)[C@H](CSCC1=CC=CC=C1)N2CC3=CC=CC=C3C2=O)OC 1 2.327 2 4 -20.1659039986796 16193334 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(N=N3)CC4=CC(=CC=C4)F)N 1 2.167 5 3 0 -17.8053804889869 16193333 CC1=CC(=CC=C1)CCNC(=O)CCCOC2=CC(=O)N(C3=CC=CC=C32)C 1 3.166 2 3 -10.9759702057851 16193332 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)NCCN(C)CC3=CC=CC=C3 1 2.497 3 3 -9.37278398036494 16193331 CCC1CCCCN1CCCNC(=O)CCCOC2=CC(=O)N(C3=CC=CC=C32)C 1 2.795 3 3 -14.9228802618959 16193330 CCN(CCCNC(=O)CCCOC1=CC(=O)N(C2=CC=CC=C21)C)CC3=CC=CC=C3 1 2.908 3 3 -12.4680262420889 16193329 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)NCC3=CN=CC=C3 1 1.208 3 3 0 -15.3495144873024 16193328 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)NCCC3=CCCCC3 1 3.103 2 3 -15.6251296522364 16193327 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCCC3=CC=CC(=C3)C 1 2.945 2 3 -6.82864891963624 16193326 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NC(C)CCC3=CC=CC=C3 1 4.707 1 3 -8.94898655992787 16193325 CCC(CC1=CC=CC=C1)NC(=O)C2=C(C(=O)OC23CCC(CC3)C)C 1 4.775 1 3 -6.40887458175521 16193324 CCN(CCNC(=O)C1=C(C(=O)OC12CCC(CC2)C)C)C3=CC=CC=C3 1 4.128 2 3 -9.64735405988437 16193323 CC(C)(C)C(CN1CCCC1)O.Cl Cl- 1 1.735 1 1 0 -1.13514897207247 16193322 CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=O)C3=CC=NC=C3)OC)[N+](=O)[O-])Br 1 3.077 6 4 0 -12.1527382234053 16193321 CCN\1C2=C(C=CC(=C2)C3=CC=CC=C3)O/C1=C/C=C\4/C(=O)N(C(=S)O4)CC 1 5.279 2 3 7.80562323866319 16193320 CC1=NC(=C(C(=C1)COC)C#N)SCC[N+](C)(C)CC(=O)NC2=CC=CC=C2.[Cl-] Cl- 1 1.146 4 2 0 -15.1676025045832 16193319 CC1=CC(=CC=C1)NC(=O)C[N+](C)(C)CCSC2=C(C(=CC(=N2)C)COC)C#N.[Cl-] Cl- 1 1.632 4 2 0 -13.4514373114362 16193318 CC1=NC(=C(C(=C1)COC)C#N)SCC[N+](C)(C)CC(=O)NC2=CC=CC(=C2)C(F)(F)F.[Cl-] Cl- 1 2.088 4 2 -10.7849736808068 16193317 CC1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)C(C)C3=CC4=C(O3)C(=CC=C4)OC 1 5.856 3 3 -6.39975716586708 16193316 CC1=CC(=CC=C1)NC(=S)N(CCCN2CCOCC2)C(C)C3=CC4=C(O3)C(=CC=C4)OC 1 5.856 3 3 -3.28350196241447 16193315 CCC1=CC(=CC=C1)NC(=S)N(CCCN2CCOCC2)C(C)C3=CC4=C(O3)C(=CC=C4)OC 1 6.312 3 3 -4.32180233319936 16193314 CC1=NC(=C(C(=C1)COC)C#N)SCC[N+](C)(C)CC(=O)C2=CC=C(C=C2)Br.[Br-] Br- 1 2.514 3 2 -11.9288639173877 16193313 CCN(CC)C(=N)N1C(CCC2=CC=CC=C21)C.Cl Cl- 1 3.018 3 0 -8.53968596127911 16193312 C1C2CC3CC(C2)(CC1C3=NNC(=O)C4=CC=CS4)Cl 1 3.035 2 1 -0.682325341625174 16193311 C1C2CC3CC(C2)(CC1C3=NNC(=O)C4=CC=CC=N4)Cl 1 2.36 3 1 -2.43187531297686 16193310 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CN3C=CC(=C[NH+]=O)C=C3.[Cl-] Cl- 1 2.066 3 2 -6.24292236989405 16193309 CC1=CC(=CC=C1)NC2=C(C(=O)OC2OC(=O)C3=CC=CO3)Cl 1 3.431 1 5 -2.93001689554234 16193308 CC1(CC2=C(C=C(C(=O)N2C3=CC=C(C=C3)OC)C(=O)NNC4=CC=CC=C4)C(=O)C1)C 1 3.234 3 4 0 -14.8359521938703 16193307 CC(C)CCNC(=O)C(=O)NC1=CC=CC=C1 1 1.884 2 2 0 -14.3573139745785 16193306 CN\1CCN/C1=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-] 1 1.754 3 2 0 -4.19280984898077 16193305 C1=CC=NC(=C1)C=NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.75 5 5 0 -5.72691841089516 16193304 CC1=CC=CC2=C1NC=C2CCN.Cl Cl- 1 2.036 2 0 9.67384414971302e-002 16193303 CC1=CC2=C(C=C1)SC(=[N+]2CCO)C.[I-] I- 1 2.558 1 1 0.907143855033689 16193302 CC(=NNC(=O)CNC(=O)/C=C\C1=CC=CO1)C2=CC=C(C=C2)OC 1 1.57 3 4 0 -13.5101319201569 16193301 CC(=NNC(=O)CNC(=O)C1=CC=CS1)C2=CC(=C(C=C2)OC)OC 1 1.644 3 4 0 -18.9957344641083 16193300 CCCCCC1=CC(=C(C=C1)OCCCC[N+]2=CC=CC=C2)CCCCC.[Cl-] Cl- 1 8.331 1 1 4.69924934589686 16193299 CCC(C)N1C(=O)/C(=C\C2=CC3=C(C=C2)N(C(=O)N3C)C)/SC1=O 1 2.672 3 3 -7.67442614011743 16193298 CC(C)(C)OC(=O)NNC(=O)C1=CC=CS1 1 1.735 2 3 0 -10.9936240711998 16193297 CCCCCC(CCN1CCCCC1)(C2=CC=C(C=C2)OCC)O.Cl Cl- 1 4.802 1 2 -1.12821478393279 16193295 COC1=CC=CC=C1C(=O)N/C(=C\C2=CC=C(C=C2)Br)/C(=O)NCC=C 1 3.343 2 3 -22.1219079307725 16193294 CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OC)CC3=CC=CC=C3)C.[I-] I- 1 4.036 2 2 0.215382642475119 16193291 CCC1=C/C(=C/C2=[N+](C3=CC=CC=C3S2)CC)/CC(C1)(C)C.[I-] I- 1 6.419 1 0 13.4450722568805 16193290 CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C 1 3.598 5 1 -14.2777100268416 16193289 CCCCN(CCCC)C(=O)C[N+]1=CC=CC(=C1)C=NO.[Cl-] Cl- 1 3.184 3 2 -7.19968784703331 16193288 CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC=CS3)C(=O)CCC2 1 0.99 4 1 0 -20.8533750270778 16193287 CCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)N4CCOCC4)N)C#N 1 1.949 4 2 0 -18.4789408167386 16193286 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2OCCOCCOC3=CC=CC=C3P(=O)(C4=CC=CC=C4)O)O 1 5.181 0 7 0 -7.10352492777325 16193285 CCN1/C(=C/C2=[N+](C3=C(C=C2)C=C(C=C3)C)CC)/SC4=C1C5=C(C=C4)SC=C5.[I-] I- 1 7.622 2 0 14.2815898943822 16193284 [B-](F)(F)(F)F.CC[N+]1=C(C=C(O1)C2=CC=CC=C2)C F[B-](F)(F)F 1 3.115 1 1 4.59381317506021 16193283 C1CC1N/C(=C(\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])/SC2=CC=CC=C2 1 4.477 2 2 3.65862608152141 16193282 CC1=C(SC(=N1)N2C(CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC)C(=O)C.Br Br- 1 3.776 3 3 -8.33625675772587 16193281 COC1=CC(=CC=C1)OCC(CN2CCC(CC2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O.Cl Cl- 1 3.564 2 5 0 -3.62387846113639 16193280 C1=COC(=C1)/C=C(/C(=O)NCCCN2C=CN=C2)\NC(=O)C3=CC=CS3 1 1.147 4 3 0 -16.7418445782566 16193279 CCN\1C2=CC=CC=C2S/C1=C/C=C\3/C(=O)N(C(=S)N3C)C 1 4.053 3 1 6.13594829331729 16193278 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CN=CC=C2)/C(=O)NCCC3=CNC4=CC=CC=C43 1 3.042 4 2 -22.7908707751824 16193277 COC1=C(C=C(C=C1)CCNC(=O)/C(=C/C2=CN=CC=C2)/NC(=O)C3=CC=CC=C3)OC 1 2.716 3 4 0 -23.5729493489404 16193275 C[N+](C)(CCN1C(=O)C2C(C=CC(C2C1=O)C3=CC=CC=C3)C4=CC=CC=C4)CC#C.[Br-] Br- 1 2.978 2 2 -5.28202820087647 16193274 C1CC2=CC=CC=C2N(C1)C(=O)C[N+]3=CC=CC(=C3)C=NO.[Cl-] Cl- 1 2.634 3 2 -6.35626866565767 16193272 C1=CC(=CC=C1NC(=O)CCC(=O)NN=CC2=CC=NC=C2)F 1 1.074 4 2 0 -8.21616198617662 16193271 C1=CC=C(C=C1)CNC(=O)CC(=O)NN=CC2=CC=CS2 1 1.944 3 2 0 -12.3958003015562 16193270 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NC3CCS(=O)(=O)C3 1 0.881 2 6 0 -22.5305649447638 16193268 C1COCCN1C(=O)OC2=CC=CC=C2C=NNC(=O)C3=CC=CS3 1 2.293 3 4 0 -10.2074982431236 16193266 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)N=CC3C(=O)CC(CC3=O)(C)C 1 3.728 1 5 -3.8822587156055 16193265 C1CN(/C(=C(\C(=C(Cl)Cl)N2CCN(CC2)CC3=CC=CC=C3)/[N+](=O)[O-])/N1)CC4=CN=C(C=C4)Cl 1 4.004 6 2 0 -5.67656270741876 16193263 CC1=CC2=C(C=C1)C=CC(=[N+]2CCCS(=O)(=O)[O-])C 1 0.488 1 3 0 -3.47460095802992 16193262 CC1CCCC(N1C(=C(Cl)Cl)C(=C2SCCS2)[N+](=O)[O-])C 1 4.315 2 2 -2.27407506506552 16193260 COC1=CC2=C(C=C1)NC=C2CCN=C(N)N.I I- 1 1.4 4 1 0 -0.636369894592111 16193259 C1CCCN(CC1)C(=O)C[N+]2=CC=CC(=C2)C=NO.[Cl-] Cl- 1 1.9 3 2 0 -5.1818309148426 16193258 CC1=CC2=NC(=C(N2C=C1)C(=O)NN=C3CCN(CC3)C)C 1 1.116 5 1 0 -6.30655503849898 16193257 C1CCC(CC1)NC(=O)CN2C=CC(=C[NH+]=O)C=C2.[Cl-] Cl- 1 0.551 3 2 0 -5.94271313032928 16193256 C1C(N(N=C1C2=CC=CS2)C(=O)C3=CC=NC=C3)C4=CC=C(C=C4)F.Cl Cl- 1 3.424 3 1 -4.73301414778087 16193255 CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(C)(C)C[N+](C)(C)C.[I-] I- 1 3.43 1 1 -6.85875706471517 16193254 CC1=CC(=CC=C1)OCC(=O)NCC(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.959 4 5 0 -13.0625213504443 16193253 COC1=CC=C(C=C1)/C=C/C(=O)NCC(=O)NN=CC2=CC=C(C=C2)OC 1 2.178 3 4 0 -12.300262748931 16193252 COC1=CC=CC=C1/C=C/C(=O)NCC(=O)NN=CC2=CC3=C(C=C2)OCO3 1 1.962 3 5 0 -13.5896358700954 16193251 CC(C)(C)OC(=O)NN/C=C\1/C=CC=N1 1 0.287 3 2 0 -7.0195858244219 16193250 CCN\1C2=CC=CC=C2S/C1=C/C=C\3/C(=O)N(C(=S)N3C)C4=CC=CC=C4 1 5.629 3 1 5.51216144864706 16193249 CC(=NOC(=O)C1=C(C=CC=C1F)F)CN2C3=CC=CC=C3N=N2 1 3.188 4 2 -8.10667491548909 16193248 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NNC(=O)COC3=CC=CC=C3OC 1 2.901 3 5 0 -16.4079748990463 16193246 COC1=CC=C(C=C1)C(CCC2=CC=CC=C2)(CCN3CCCCC3)O.Cl Cl- 1 4.573 1 2 1.51193294630942 16193245 CCCC12CN3CCN(C1)CC(C3)C2=NNC(=O)C4=CC=C(C=C4)F 1 2.311 4 1 -7.51744767591084 16193244 C1COCCN1C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)C4=CC=CC=C4 1 3.094 2 4 -0.883396519550895 16193242 CC1=CC=CC=C1NNC(=O)C2=CC3=C(CC(CC3=O)(C)C)N(C2=O)C4=CC=C(C=C4)OC 1 3.72 3 4 0 -16.4696340683923 16193241 CCCC12CN3CCN(C1)CC(C3)C2=NNC(=O)C4=CC=CC=C4Cl 1 2.77 4 1 -8.40044306951259 16193240 CCCCOC1=CC\2=C(C=C1)N/C2=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-] 1 4.273 2 3 -1.92653513884085 16193239 CC1=C[C@@H]([NH2+][C@H](C1)CC=C)CC=C.[Cl-] Cl- 1 1.54 1 0 0 -5.57078810870052 16193238 C1C/C(=C/NC2=CC=C(C=C2)Cl)/C(=O)C1 1 2.775 1 1 -2.67607283890414 16193236 CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)NCCC3=CC=CC=N3)C 1 3.816 3 2 -20.2071837987366 16193235 CN1CCC(=NNC(=O)C(=O)NC2=CC=CC=C2F)CC1 1 0.65 4 2 0 -7.78936493849534 16193234 CCN\1C2=CC=CC=C2S/C1=C/C=C(C(=O)C)C(=O)C 1 3.199 1 2 9.67636816087052 16193233 [B-](F)(F)(F)F.CC\1(C2=CC=CC=C2N(/C1=C\C=C\C=C\C=[N+](C)C)C)C F[B-](F)(F)F 1 3.775 2 0 14.5769145186501 16193232 COC1=C(C=C(C=C1)CCNC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O)OC 1 0.924 3 5 0 -21.4191110766084 16193231 CC1=C(C(=NN1CCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C)[N+](=O)[O-] 1 2.472 5 3 0 -7.90793791784988 16193230 CN1CCN(CC1)C(=S)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Br 1 5.456 3 0 -3.50472452152316 16193229 CN1CCN(CC1)C(=S)C2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F 1 4.913 3 0 -2.54821208096378 16193228 CC1CCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC(=CC=C3)OC 1 5.725 3 1 -8.68118071917615 16193227 CC(CCC1=CC=CC=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 2.038 3 3 -24.0202439232656 16193226 COC1=C(C=C(C=C1)Br)CNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.615 3 4 0 -21.8818783641363 16193225 CCCCN(C)CCNC(=O)CCNC(=O)CN1C=CC2=CC=CC=C2C1=O 1 0.767 4 3 0 -18.7288102487878 16193224 CC1=CC(=NN1CCCC(=O)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-] 1 3.593 4 3 0 -14.1563519748766 16193223 CCN1CCN(CC1)CCCNC(=O)C2C(N(C(=O)C3=CC=CC=C23)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC 1 3.879 4 4 0 -10.6601387693842 16193222 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCCC(=O)NCCC3=CC(=C(C=C3)OC)OC)C 1 1.935 4 5 0 -31.149347210289 16193221 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=CC4=CC=CC=C43.[Br-] Br- 1 4.674 2 2 -6.46852336541362 16193220 CCOC(=O)C1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)OC)OC 1 3.155 4 7 0 -8.70249026683583 16193219 COC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)CC5=CC=CC=C5)OC 1 4.02 5 5 0 -3.08844174068332 16193218 COC(CNC(=O)CNC(=S)N(CCCN1CCOCC1)CC2=CC=CS2)OC 1 1.403 4 4 0 -20.0916077847841 16193217 CC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC=CS3 1 6.441 2 0 -11.3157973542283 16193216 CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCC(CC2)C)CC3=CC=CS3 1 5.946 3 2 -13.8231714120208 16193215 CCN1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)C(=O)OCC 1 4.524 4 3 0 -13.0370958858251 16193213 C1CC[N+](CC1)(CC#CC2=CC=CC=C2)CC(=O)C3=CC=CC=C3.[Br-] Br- 1 3.312 1 1 -2.33066858992092 16193212 CC1=C(C=C(C=C1)N=C2C(=NN(N2O)C3=CC=C(C=C3)Cl)[N+](=O)[O-])C 1 4.262 5 3 0 6.18464749282768 16193211 CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NN=N4 1 2.174 6 0 -4.05539823789568 16193210 CCOC(=O)NCCOC(=O)NC1=CC=C(C=C1)Cl 1 2.442 2 4 -6.77154899770789 16193209 CC1=NON=C1OCCN2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-].Cl Cl- 1 2.102 5 4 0 -2.06196159649894 16193208 CC1=CC(=NN1CCCC(=O)NC2=C(C(=CC=C2)Cl)Cl)[N+](=O)[O-] 1 3.593 4 3 0 -16.0082295734501 16193207 CCCN(CCC)CCCNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC 1 2.959 5 4 0 -18.0537040269785 16193206 CC1=C(C=CC(=C1)NC(=O)CCN2C(=O)C3C4CC(C3C2=O)C=C4)Br 1 2.229 2 3 -7.94916116807674 16193205 C1CC2=C(C(C(=C3N2C4=CC=CC=C4C(=N3)N)C#N)C5=CC=C(C=C5)F)C(=O)C1 1 3.723 4 1 -16.9302001958728 16193204 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CS5)NC4=O 1 3.334 4 4 0 -7.97101590449796 16193203 CCN(CCCNC(=O)CCN1C(=O)C2=C(C=CS2)NC1=O)C3=CC=CC=C3 1 2.254 4 3 0 -20.1156169327428 16193202 CC1=CC(=C(C=C1)C)NC2=C(C(=O)OC2OC(C)C)Cl 1 3.614 1 3 -3.92957866673859 16193200 C1C[N+]2(CCC1C(C2)CO)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-] Br- 1 -2.8e-002 2 4 0 -3.06070338308985 16193199 CN1CCN(CC1)C(=S)C2=CN(C3=CC=CC=C32)CCOC4=CC=CC=C4 1 4.756 3 1 -5.2420629374769 16193198 CCN(CCCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)CCOC)C3=CC=C(C=C3)F)CC4=CC=CC=C4 1 4.036 3 3 -8.44873106833669 16193196 C[N+](C)(CC#CC1=CC=CC=C1)CC(=O)OCC#C.[Cl-] Cl- 1 2.038 1 2 -5.15548633992303 16193194 CC#CC[N+](C)(CC#CC)CC(=O)C1=CC=CC=C1.[Br-] Br- 1 2.504 1 1 -7.58570782929091 16193192 C1COCC[N+]1(CC#CC2=CC=CC=C2)CC(=O)C3=CC=CC=C3.[Br-] Br- 1 2.082 1 2 -3.17135559343892 16193190 C1CC[N+](CC1)(CC#CC2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)Cl.[Br-] Br- 1 3.976 1 1 0.580009130223486 16193189 CCNC1=NC(=NC(=N1)SCCOC2=C(C=C(C=C2)Cl)Cl)N(C)C 1 4.238 5 1 -4.28789576006339 16193188 C1=CC(=CC=C1C=NN=C(N)N)Br.Cl Cl- 1 1.612 4 0 0 5.1302740338169 16193187 CCOC(=O)C1CCCN(C1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)OC)OC 1 3.29 4 7 0 -8.49000056617183 16193186 CCN1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=C(C=C4)C(=O)OCC 1 3.022 5 5 0 -8.09727430412379 16193185 CN(C1=CC=CC=C1)C(=O)CCC2=NC(=NO2)C3=CC=CC=C3F 1 2.892 3 2 -8.63079469845832 16193184 CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCCC(C2)C)CC3=CC=CS3 1 6.013 3 2 -11.9877897166999 16193183 CCN1CCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=C(C=C3)C(=O)OCC 1 5.083 4 2 -11.2643109719125 16193182 CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCN2CCCCCC2)CC3=CC=CS3 1 6.088 3 2 -12.0293529699933 16193181 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=O 1 2.723 4 4 0 -11.0909106114002 16193180 COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCCCCC4)NC2=O 1 3.12 4 4 0 -11.6558511039915 16193179 CCOC1=CC=C(C=C1)NC(=O)CCCCN2C(=O)C3=C(C=CS3)NC2=O 1 2.718 3 4 0 -13.9055040083987 16193178 CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCCC2)CC3=CC=CS3 1 5.238 3 2 -10.8611136340589 16193177 CC1CCCN(C1)CCCN(CC2=CC=CS2)C(=S)NC3=CC(=CC=C3)OC 1 5.792 3 1 -6.84579902385529 16193176 CC1=CC2=C(C=C1)N=C(C=C2)C3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 4.828 1 2 2.64944799380576 16193175 COC1=CC=CC(=C1)N/C(=N/C2=NC(=CC(=N2)C(F)(F)F)C(F)(F)F)/N 1 4.045 5 1 -0.55223445505536 16193173 CCOC(=O)C[N+]1(CCN(CC1)C(=O)C)C.[Br-] Br- 1 -1.762 2 3 0 -10.0192124529815 16193171 CCOCCCNC(=O)C(C1=CC=C(C=C1)OC)NC(=O)CC2=CC=CS2 1 2.068 2 4 -21.0253710574381 16193170 C[N+](C)(CCN1C(=O)C2C(C=CC(C2C1=O)C3=CC=CC=C3)C4=CC=CC=C4)CC=C.[Br-] Br- 1 2.403 2 2 -5.69812087902563 16193168 CC\1=NOC(=O)/C1=C/C2=CC(=C(C=C2)OCC3=CC(=CC=C3)F)OC 1 3.469 1 4 0.584214088487317 16193167 CCOC1=C(C=C(C=C1)C=NNC2=NC(=CN=N2)C3=CC=CC=C3)OC 1 3.349 5 2 0 -2.72653993347986 16193166 CCCCC(=O)NN=C(C)C1=C(C(OC1=O)(C)C)C 1 2.116 2 3 -11.459968796985 16193165 CC(C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 1 1.098 4 5 0 -17.1101956510757 16193164 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NC4CCN(CC4)C(=O)OCC)C(=C2)C 1 3.934 6 2 0 -8.1194620319012 16193163 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCCCCC3)N4CCN(CC4)C 1 5.132 5 0 -7.38954463823747 16193162 CCCCN(CC)CCCNC(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)CC 1 5.45 6 0 -8.29544189273913 16193161 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=CC=N4)N5CCN(CC5)C 1 4.777 7 0 0 -5.96928629921158 16193160 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCC4=CC=CS4)C(=C2)C 1 4.895 5 0 -8.04559989260475 16193159 CC1CN(CCN1C2=CC=CC(=C2)C)C(=S)NC3=CC4=C(C=C3)N=C(C=C4C)N5CCN(CC5)C 1 6.252 6 0 -7.93304951553822 16193158 C1=CC(=CC(=C1)Cl)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 5.855 3 0 -1.64923792662312 16193157 C1CN(CC2=CC=CC=C21)CCNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.637 4 3 0 -11.4459425859969 16193156 CN1CCC(=NNC(=O)CSCC2=CC=C(C=C2)OC)CC1 1 1.562 3 2 0 -9.90569717093259 16193154 CC(C)OC(=O)C[N+](C)(C)CCN1C(=O)C2C(C=CC(C2C1=O)C3=CC=CC=C3)C4=CC=CC=C4.[Br-] Br- 1 2.22 2 4 -9.28184647241988 16193153 CCC(C)NC(=O)CN1C2=CC=CC=C2SC1=O 1 2.414 2 2 -11.4501811577507 16193152 CCCCN(C)C(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)CC 1 5.436 5 0 -4.80092567009941 16193151 CCCN1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)CC 1 4.937 6 0 -7.39659726366167 16193150 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCCC(C4)C)C(=C2)C 1 5.344 5 0 -8.15053481155037 16193149 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCN(CC4)C5=CC=CC=C5F)C(=C2)C 1 5.943 6 0 -5.23441713930181 16193148 CCC(C)NC(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)CC 1 4.822 5 0 -9.10939281844304 16193147 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3C4C5=CC(=C(C=C5CCN4C(=O)C6=CC=CC=C36)OC)OC 1 3.566 4 4 0 -7.70072708625032 16193145 CCN\1C2=C(C=C(C=C2)C)S/C1=C\C3=[N+](C4=C(C=C3)C=C(C=C4)C)CC.[I-] I- 1 7.246 2 0 17.3890335621471 16193144 CC[N+]1=C2C=C(C=CC2=C(C=C1)/C=C/3\C=CC4=CC=CC=C4N3C)C 1 5.536 2 0 13.2597049410118 16193143 CC(=NNC(=O)C1=CC(=CN=C1)Br)/C=C\C=C\C2=CC=CC=C2 1 3.187 3 1 -0.790892284144838 16193142 CC1=CC(=NN1)C(=O)NN=C(C)/C=C/C2=CC=CC=C2 1 2.14 4 1 -7.43714592849255 16193141 COCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=CO4 1 1.524 4 6 0 -22.2249442505666 16193140 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCC3=CC=CC=C3OC)N4CCN(CC4)C 1 4.79 5 1 -6.11791618718681 16193139 CCCN1CCN(CC1)CCCNC(=S)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)CC 1 4.603 7 0 0 -7.06917256366982 16193138 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCCCC4)C(=C2)C 1 5.025 5 0 -8.99620054168834 16193137 COC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCC(CC4)C(=O)N)OC 1 1.953 5 6 0 -5.49001044436368 16193136 CCOC(=O)N1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC(=CC=C4)OC 1 2.704 5 6 0 -5.45979089891801 16193135 CCC(C)NCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2F 1 2.555 4 4 0 -15.3055547281912 16193134 CC(=O)OC1=CC=C(C=C1)C2C3=CC4=C(C=C3NC5=C2C(=O)CC(C5)(C)C)OCCO4 1 3.646 1 5 -24.3685359373796 16193133 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN(C)CC3=CC=CC=C3)NC1=O 1 3.548 4 3 0 -10.730168013135 16193132 CCOCCCNC(=O)C(C1=CC=C(C=C1)OC)NC(=O)CC2=CNC3=CC=CC=C32 1 2.409 3 4 0 -19.9929373216618 16193131 CCOCCCNC(=O)C(C1=CC=C(C=C1)OC)N(CC2=CC=CS2)C(=O)C3=CC=CC=N3 1 2.888 3 4 0 -17.6952241374796 16193130 CCOCCCNC(=O)C(C1=CC=C(C=C1)OC)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=NC=CN=C4 1 1.765 4 6 0 -19.3689464442645 16193129 CC1=CC=C(C=C1)NC2=C(N=C3N2C=CN=C3)C4=CC=C(C=C4)N5CCOCC5 1 3.792 5 1 2.53466059906526 16193128 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CS5)NC4=O 1 3.35 4 3 0 -6.038354976022 16193127 COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C(=O)NCC4=CC=CC=N4 1 2.96 3 6 0 -14.3831844930268 16193126 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 1.923 2 5 0 -17.698380151103 16193125 CC1=C(C(=NC2=NC(=NN12)SCC(=O)NCCCN3CCOCC3)C)CC4=CC=CC=C4 1 2.791 6 2 0 -22.653863453146 16193124 CCOCCCNC(=O)CSC1=NN2C(=C(C(=NC2=N1)C)CC3=CC=CC=C3)C 1 3.183 5 2 0 -25.4182193182249 16193123 CC1=CC=C(C=C1)CC2=C(N3C(=NC(=N3)SCC(=O)NCCCN4CCOCC4)N=C2C)C 1 3.278 6 2 0 -22.0273451427002 16193122 C1CN(CCN1CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4F)C5=CC=CC=N5 1 3.735 6 3 0 0.202737698248618 16193121 C1CC(OC1)CNCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3F 1 1.664 4 5 0 -16.6649110631402 16193120 CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCC(CC4)O 1 2.149 4 6 0 -7.08132451239816 16193119 CC1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)OC)OC 1 3.648 4 5 0 -7.38047532302825 16193118 C1CC1C(=O)N2CCC3=CC(=CC(=C32)S(=O)(=O)CCC(=O)N4CCN(CC4)C5=CC=CC=N5)Br 1 2.795 4 4 0 -18.9511607577021 16193117 CCN(CC)CCCNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC 1 1.912 5 4 0 -17.5772103735837 16193116 CCN1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC(=C(C=C3)C)Cl 1 5.471 4 1 -7.52789360129762 16193115 C1=CC=C(C(=C1)CN=C2C(=NN(N2O)C3=CC=C(C=C3)Cl)[N+](=O)[O-])Cl 1 3.961 5 3 0 1.93575719256611 16193114 CC1=CC(=CC=C1)N2N=C(C(=NC3CCN(CC3)CC4=CC=CC=C4)N2O)[N+](=O)[O-] 1 3.229 6 3 0 7.37976711365754 16193113 C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=N4)NC2=O 1 2.531 4 3 0 -14.7950146311208 16193112 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)NCCCN3CCN(CC3)C4=CC=CC=C4F)OC 1 2.081 5 5 0 -14.9133587225814 16193111 COCCNC(=O)CCCN1C(=O)C2=CC(=C(C=C2N(C1=O)CC(=O)C3=CC=CC=C3)OC)OC 1 1.697 3 7 0 -24.274674204732 16193110 CC1=CC(=CC=C1)N=C2C(=NN(N2O)C3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 3.776 5 3 0 7.92715647901239 16193109 C1CN(CCC1NC(=O)CC2=CC=CC=C2)CC3=CC=CC=C3.Cl Cl- 1 2.767 2 1 -4.56067284473654 16193108 CC1(CC(=O)C(=CNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC=C4C(=O)CC(CC4=O)(C)C)C(=O)C1)C 1 3.621 2 5 0 -13.4988185421061 16193107 CCCN(CCC)CCCNC(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)CC 1 5.518 6 0 -8.49725361577757 16193106 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N(CC)CC)C(=C2)C 1 4.805 5 0 -6.17398381576572 16193105 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CC(CC(C4)C)C)C(=C2)C 1 5.663 5 0 -9.28852674979596 16193104 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCCN3CCC4=CC=CC=C4C3)N5CCN(CC5)C 1 5.082 6 0 -8.12631948222464 16193103 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCC3=CC=C(C=C3)OC)N4CCN(CC4)C 1 4.79 5 1 -4.0036583561209 16193102 C1CC(N(C1)C(=O)C2CC(CN2C(=O)CNC(=O)OCC3=CC=CC=C3)O)C(=O)OCC4=CC=CC=C4 1 1.524 3 7 0 -11.7718587617585 16193101 CCCCN(CC)C(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)C 1 5.436 5 0 -6.48103630172143 16193100 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCN(CC3)C4=CC(=CC=C4)Cl)N5CCN(CC5)C 1 6.053 6 0 6.17846629484952e-002 16193099 CC1=CC=CC=C1C2C(=C3N=C(C4=CC=CC=C4N3C5=C2C(=O)CCC5)N)C#N 1 4.004 4 1 -17.3931785228183 16193098 CC1=CC=C(C=C1)C2C(=C3N=C(C4=CC=CC=C4N3C5=C2C(=O)CCC5)N)C#N 1 4.004 4 1 -17.6420772213381 16193097 C[C@H]1C2(C3CCC4C(C3CC2OC15CCC(CN5)C)CC=C6C4(CCC(C6)O)C)C 1 4.435 1 2 -12.8413504824648 16193096 C1CCC(CC1)NC(=O)CNC(=S)N(CCCN2CCOCC2)CC3=CC=CS3 1 3.324 4 2 -15.7205354848924 16193095 C1CCC(C1)NC(=O)CNC(=S)N(CCCN2CCOCC2)CC3=CC=CS3 1 2.867 4 2 -15.3660669707243 16193094 COCCNC(=O)CNC(=S)N(CCCN1CCOCC1)CC2=CC=CS2 1 1.334 4 3 0 -19.2530651585119 16193093 C1CCN(C1)C(=O)CNC(=S)N(CCCN2CCOCC2)CC3=CC=CS3 1 2.132 4 2 -14.2127943813984 16193092 COC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 1.794 3 5 0 -11.6420090126401 16193091 CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)/C=C/C4=CC=CC=C4)CC5CCCO5 1 2.731 4 5 0 -21.7282759902261 16193090 C1CCC2=NC3=C(C=C(C=C3)NC(=S)NC4CCN(CC4)CC5=CC=CC=C5)C(=O)N2CC1 1 4.579 5 1 -12.2793529601211 16193089 CCN1CCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=CC=C3C 1 5.365 4 0 -7.97917922981829 16193088 CN1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Cl 1 4.636 4 1 -3.87634754736201 16193087 CC1=CC=C(C=C1)C2=CSC3=NNC4(CCCCC4)NN23 1 2.822 4 0 -0.774381493394466 16193086 COC1=CC=C(C=C1)C2=CSC3=NNC4(CCCCC4)NN23 1 2.319 4 1 -1.18734770253861 16193084 CC1=CC(=NN1CCCC(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3)C)[N+](=O)[O-] 1 2.926 6 3 0 -20.1650061173434 16193083 CC1=CC(=NN1CCCC(=O)NC2=C(N(N=C2C)CC3=CC=C(C=C3)F)C)[N+](=O)[O-] 1 3.131 6 3 0 -18.6383141870986 16193082 CC1=CC(=NN1CCCC(=O)NCC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 2.255 4 4 0 -21.51673712059 16193081 CC1=C(NC(=C1C(=O)NN=CC2=CC=C(C=C2)N(C)C)C)C(=O)NN=CC3=CC=C(C=C3)N(C)C 1 3.878 7 2 0 -8.75692784764415 16193080 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=N5)OC 1 2.221 6 5 0 -15.1799315765625 16193079 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)OC 1 2.512 5 7 0 -15.4822307644941 16193078 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4COC5=CC=CC=C5O4)OC 1 2.46 4 7 0 -20.3734894528712 16193077 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4COC5=CC=CC=C5O4)OC 1 2.46 4 7 0 -16.4221114064806 16193076 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=N5)OC 1 2.221 6 5 0 -11.2285535301719 16193075 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C 1 1.578 5 5 0 -25.6872966306477 16193074 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4=CC=CC=C4OC)OC 1 2.564 4 6 0 -17.9362372820577 16193073 C1CC(C(C1)C2=CC=CC=C2)CNC(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O 1 2.317 3 3 -18.9859858612443 16193072 C1CCC2=NC3=C(C=C(C=C3)N)C(=C2C1)Cl 1 3.454 2 0 4.09234520728076 16193071 CC1=C(C(=NC(=S)N1CC=C)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C 1 5.058 4 1 -14.5099465599568 16193070 C1C(CN(C1C(=O)N2CC(CC2C(=O)OCC3=CC=CC=C3)O)C(=O)CNC(=O)OCC4=CC=CC=C4)O 1 0.433 3 8 0 -10.1304406827869 16193069 CC1=CC=C(C=C1)NC2=C(C(=O)OC2OC(C)C)Cl 1 3.127 1 3 -3.82869245270983 16193068 CC1=CC(=CC=C1)NC2=C(C(=O)OC2OC(C)C)Cl 1 3.127 1 3 -1.54830564784811 16193067 CC1=C(C(=NN1CCCC(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)F)C)[N+](=O)[O-] 1 2.447 6 3 0 -15.035278719693 16193066 CCCCN(CC)CCNC(=O)CNC(=O)CN1C=CC2=CC=CC=C2C1=O 1 0.868 4 3 0 -18.8273695444646 16193065 C1CCC2=NC3=C(C=C(C=C3)NC(=S)NCCCN4CCC(CC4)CC5=CC=CC=C5)C(=O)N2CC1 1 5.743 5 1 -13.2908672832062 16193064 CCOCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)NC2=O 1 1.795 3 4 0 -17.36460228658 16193063 C1=CC=C(C=C1)CCNC(=O)CCCCN2C(=O)C3=C(C=CS3)NC2=O 1 2.714 3 3 -18.1321523567106 16193062 CC1=CC(=C(C=C1)NC(=O)NCC2CCN(CC2)CC3=CC(=CC=C3)Cl)Cl 1 5.033 3 1 1.17010177709939 16193061 CN1CCN(CC1)CCNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 0.936 5 3 0 -6.32540412765732 16193060 CSC1=CC=CC(=C1)NC(=S)NCCCN2CCN(CC2)C3=CC=C(C=C3)F 1 5.09 4 0 -1.90867493233368 16193059 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 2.944 4 2 -12.2049756774894 16193058 COC1=C(C=C(C=C1)NC(=S)NCCCN2CCCC2)Cl 1 3.822 3 1 -8.71069439419753 16193057 CC1=C(C(=NN1CCCC(=O)NCCC2=CC=CC=C2)C)[N+](=O)[O-] 1 2.336 4 3 0 -17.0994716720321 16193056 CC1=C(C(=NN1CCCC(=O)NCCC2=CC(=C(C=C2)OC)OC)C)[N+](=O)[O-] 1 2.303 4 5 0 -20.6957377047657 16193055 COC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC(=C(C=C2OC)OC)Cl 1 3.026 1 6 0 -4.47222979346993 16193054 COC1=CC=C(C=C1)N2N=C(C(=NCCCN3CCCC3=O)N2O)[N+](=O)[O-] 1 0.748 6 5 0 -13.458395909363 16193053 C1=CC(=CC=C1N2N=C(C(=NCC3=CC=NC=C3)N2O)[N+](=O)[O-])Cl 1 2.146 6 3 0 1.69345265643881 16193052 C1=CC2=C(C(=O)N(C2=O)CCCC(=O)NC3=CC=C(C=C3)Br)N=C1 1 2.094 3 3 -7.37372412042397 16193051 CC1=CC=C(C=C1)C2=C(N3C=CN=CC3=N2)NC4=CC=C(C=C4)OC 1 3.925 4 1 3.21007154123615 16193050 CCCCN(CC)CCCNC(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)C 1 5.102 6 0 -6.90708529249542 16193049 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=CC=C2Cl)OC3=NC=C(C=C3)[N+](=O)[O-] 1 4.174 4 5 0 -10.8542775559752 16193048 CC1=C(C(=C(C(=N1)OCC(=O)NN=CC2=CC=CO2)C#N)COC)Br 1 2.016 4 4 0 -10.9685961329405 16193047 CC1=CC(=NN1CC2=C(C=CC(=C2)C=NNC(=O)C3=CC(=CC=C3)Br)OC)C 1 4.076 4 2 -14.5927603443499 16193046 CC1=CC=CC=C1OCC(=O)NN=C/C=C/C2=CC=CC=C2 1 3.365 2 2 -0.439116658934105 16193045 CC(C)OCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)OC 1 2.203 3 5 0 -16.4980661408066 16193044 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)C(=C2)C 1 3.658 4 2 -3.43464206385117 16193043 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCN(CC4)C5=CC=CC=C5)C(=C2)C 1 5.737 6 0 -6.06893168095811 16193042 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCN3CCC4=CC=CC=C4C3)N5CCN(CC5)C 1 5.02 6 0 -7.93353204370916 16193041 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCN(CC4)C5=CC=C(C=C5)F)C(=C2)C 1 5.943 6 0 -5.09575146035063 16193040 CC1=CC(=NN1CCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[N+](=O)[O-] 1 1.357 6 4 0 -27.4032404158571 16193039 C[N+]1(CCCCC1)CCN2C=CC3=CC=CC=C32.[I-] I- 1 2.03 2 0 -8.33153717919355 16193038 COC1=CC=CC=C1NC2=C3CCCCC3=NC4=C2C=C(C=C4)N 1 4.323 3 1 3.75490622130725 16193037 CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCOC)/C=C/C3=CC=CC=C3)/O 1 3.261 1 4 -3.10019905469704 16193036 CCCN(CCC)CCCNC(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)C 1 5.169 6 0 -7.10889701553386 16193035 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)F)N5CCN(CC5)C 1 5.594 6 0 -3.48909555689976 16193034 CCN\1C2=C(C=C(C(=C2)C)C)S/C1=C/C3=[N+](C4=C(C=C3)C=C(C=C4)C)CC.[I-] I- 1 7.732 2 0 16.3151518646547 16193032 CCN1/C(=C/C2=[N+](C3=CC=CC=C3C=C2)CC=C)/C=CC4=C1C=CC(=C4)C.[Br-] Br- 1 6.444 2 0 10.4569971080663 16193031 CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CS3 1 4.734 4 2 -9.22120705786211 16193030 CCOC(=O)C1=CC=C(C=C1)NC(C2=CC=C(C=C2)N(C)C)P(=O)(OC(C)C)OC(C)C 1 4.554 2 5 0 -14.1590256409971 16193029 CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCN2CCCCCC2)CC3=CC=CO3 1 5.529 3 3 -13.8021378839059 16193028 CCN1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=C(C(=CC=C3)Cl)C 1 5.471 4 1 -5.931332352605 16193027 C1CCC(CC1)NCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3F 1 3.163 4 4 0 -11.1071035362505 16193026 CC(=NNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)Cl)C3=CC=NC=C3 1 2.962 4 2 -10.3766875828221 16193025 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5)OC 1 3.223 4 5 0 -9.60298513384644 16193024 COC1=CC=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)C5=CC=CC=N5 1 3.513 6 4 0 -0.287037214139558 16193023 C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4C=C3.Cl Cl- 1 3.532 4 2 7.15664885022789 16193022 COC1=CC=CC=C1C/C(=N/OC(=O)C2=CC3=C(C=C2)OCO3)/N 1 2.173 2 5 0 -1.31012577332062 16193021 COC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)C5=CC=CC=N5)OC 1 3.497 6 5 0 -2.37726770416593 16193020 CC1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3=CN=CC=C3 1 3.856 4 1 -11.7027548450514 16193019 CCN1CCN(CC1)CCNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.285 5 3 0 -8.58680734491483 16193018 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCC3=CC=CS3)N4CCN(CC4)C 1 4.546 5 0 -6.43894398915389 16193017 CCN(CC)CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1C3=CC=C(C=C3)C(=O)OCC 1 3.414 4 5 0 -9.69851852486874 16193015 C1COCC[N+]1(CC#CC2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)Cl.[Br-] Br- 1 2.747 1 2 -0.260677873294506 16193014 CC1=CC=C(C=C1)CN=C2C(=NN(N2O)C3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 3.783 5 3 0 2.21745710721484 16193013 CN1CCN(CC1)C(=S)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4F 1 4.913 3 0 -4.09060630445635 16193012 CCOCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)OC 1 1.826 3 5 0 -16.7477702313475 16193011 COC1=C(C=C(C=C1)CCNC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CC4CCCO4)OC)OC)OC 1 2.234 3 8 0 -23.5429962700937 16193010 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=N5)Cl 1 2.902 6 4 0 -12.7148477862673 16193009 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCCCN4CCCCCC4)Cl 1 3.252 5 4 0 -17.4561760873013 16193008 CC(=O)N(/C=C\C=C\C=C/1\C(=O)C2=CC=CC=C2S1)C3=CC=CC=C3 1 3.489 1 2 5.82334186609383 16193007 C1COCCN1CCCN(CC2=CC=CC=N2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4 1 5.145 4 2 -7.41756404997361 16193006 C1=CC=C(C=C1)C[N+]2=CN(C=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-] Br- 1 3.999 3 3 4.53803788047369 16193005 CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3.[Cl-] Cl- 1 3.793 3 2 -5.94392207832133 16193004 C1=CC=C2C(=C1)C(=O)C3(C2(NC(=O)N3)O)O.O H2O 1 -0.312 2 4 0 -3.95952627729029 16193003 CC(=NNC(=O)C1=CN=CC=C1)/C=C/C=C/C2=CC=CC=C2 1 2.439 3 1 -3.20144168167089 16193002 CCCCCCCCCC[N+]1=CC=CC2=C1C=CC3=CC=CC=C32.[I-] I- 1 7.608 1 0 5.66663126911342 16193001 C1CCC2=C(C1)C(=N)C3=C(N2CC4=CC=C(C=C4)F)CCC3.Cl Cl- 1 4.409 2 0 -4.44416425793179 16193000 CC(=O)NC1=CC=C(C=C1)CNC(=O)C[N+]2(CCOCC2)CC=C.[Br-] Br- 1 -0.967 3 3 0 -17.3479104488251 16192999 C#CC[N+]1(CCCCC1)CC#CC2=CC=CC=C2.[I-] I- 1 3.248 1 0 -1.88537389149501 16192998 CC1=CC=CC(=C1)C#CC[N+]2(CCCCC2)CC#C.[Br-] Br- 1 3.734 1 0 -1.21382307257069 16192997 CNCC(CN1CCN(CC1)C2=CC=CC=C2OC)O.Cl Cl- 1 1.025 3 2 0 -1.63413372872651 16192996 CCCCC[N+]1=CC=CC2=C1C=CC3=CC=CC=C32.[I-] I- 1 5.327 1 0 5.72388138664978 16192995 CCC(CO)(C1=CC=CC=C1)C(=O)OC2C[N+]3(CCC2CC3)C.[I-] I- 1 1.146 1 3 0 -4.44915242438193 16192994 CC1=CC(NC2=C1C=CC(=C2)OC)(C)C.Cl Cl- 1 2.872 1 1 -1.31798415787975 16192993 C[N+](C)(C)CCOC1=CC=C(C=C1)[N+](=O)[O-].[Br-] Br- 1 0.491 2 3 0 -4.49156103735602 16192992 CCCC1=NC=C(N1C)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl Cl- 1 4.045 2 1 -2.38040862971444 16192990 CC1=CC(=C(C(=C1Cl)C)N)O.Cl Cl- 1 2.478 1 1 6.10532132036904 16192989 CC(C)(C(=O)O)N1C=NC=N1.Cl Cl- 1 7.3e-002 3 2 0 -4.76533238391381 16192988 C1CCN(C1)CC2=NN=NN2C3=CC(=CC=C3)[N+](=O)[O-].Br Br- 1 1.339 6 2 0 -8.51770425062771 16192986 CCN\1C2=C(C=C(C=C2)C)S/C1=C\C3=[N+](C4=C(C=C(C=C4C=C3)C)C)CC.[I-] I- 1 7.732 2 0 13.301816706842 16192985 CC1CC(C(C[N+]1(C)C)C)(C#CC=C)O.[I-] I- 1 0.287 1 1 0 -4.84335460866864 16192981 C1CCC(CC1)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)Br.Cl Cl- 1 3.52 3 1 -1.69322152085931 16192980 CC1=[N+](C2=CC(=C(C=C2N1CCOC(=O)C)Cl)Cl)CCOC(=O)C.[I-] I- 1 3.257 2 4 -2.98461956895303 16192979 CC[N+]1(CC2CC3=CC=CC=C3C=C2C1)CC.[Br-] Br- 1 1.726 1 0 0 1.7447195952754 16192978 C=CCC1CC(=CC(N1)CC=C)CC2=CC=CC=C2.Cl Cl- 1 4.26 1 0 0.509946499572427 16192976 C1CC2=C(C(C(=C3N2C4=CC=CC=C4C(=N3)N)C#N)C5=CC=CC=C5F)C(=O)C1 1 3.723 4 1 -17.0814965497658 16192975 CCC1(CC2(CCCN(C2)CCC(=O)C3=CC=CC=C3)CCO1)C.Cl Cl- 1 3.668 1 2 3.0875784557363 16192973 CCCCC(C1=NN=NN1CC2CCCO2)N3CCN(CC3)C4=CC=CC=C4.Cl Cl- 1 3.315 6 1 0 -21.7140238637761 16192972 COC1=C(C=CC(=C1)CNCC2=CN=CC=C2)OCC3=CC=CC=C3.Cl Cl- 1 3.351 2 2 -5.45729605879765 16192971 CCCCCCCC[N+]1=CC=CC2=C1C=CC3=CC=CC=C32.[I-] I- 1 6.696 1 0 5.66663126911342 16192970 C1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC=N3)O.Cl Cl- 1 2.701 4 3 0 -14.5353463566486 16192969 CC1CC2(C3=C(CCCC3)CC[N+]2(C1)C)C.[I-] I- 1 2.02 1 0 -4.71876251328707 16192968 CCOC(=O)CN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)C)C.[I-] I- 1 3.633 2 2 -4.42664660842131 16192967 CN1C2CCC1C=C(C2)N(C3=CC=C(C=C3)OC)C(=O)/C=C/C4=CC(=C(C=C4)OC)OC.Cl Cl- 1 3.877 2 4 -5.17121037855018 16192966 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[N+]2=CC=C(C=C2)N(C)C.[Cl-] Cl- 1 2.855 3 3 -16.8804354846312 16192965 COC1=CC=C(C=C1)C=NN=C(N)N.[N+](=O)(O)[O-] NO3 1 0.847 4 1 0 4.35196887918738 16192964 C1CN(CCC1C(=O)O)CC2=CN=CC=C2.Cl Cl- 1 -2.18 2 2 0 -1.32542683981445 16192963 C1CCCN(CC1)C(=O)CN2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 2.5 3 1 -4.16669118737195 16192962 C1CC2=C(C1)C=C(C=C2)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 3.554 3 1 -5.79443297875433 16192961 CN(CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)C2CCCCC2.Cl Cl- 1 4.934 2 2 -5.41972176071313 16192960 CC1=C(C=C(C=C1)NC(=O)CN2CCCCCC2)Br.Cl Cl- 1 3.564 2 1 -2.96981581166017 16192959 CC1(C2CCC(C2)C1(C)NC(=O)CNC3CCCCC3)C.Cl Cl- 1 3.101 2 1 -3.64728702504672 16192958 CC1=CC(=CC=C1)CC2C(=O)N=C(S2)N.Cl Cl- 1 2.626 2 1 -3.96521078230541 16192956 C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CCC(=O)O.Cl Cl- 1 2.36 2 2 -4.71024319097062 16192955 C/C(=C\1/C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)/NC3=CC=CC=C3 1 2.925 3 3 -10.8736788168998 16192953 C1=CC=C(C(=C1)C(=O)NN=C/C=C/C2=CC=CO2)Cl 1 3.103 2 2 -1.87314885706496 16192952 C[N+]1(CCCCC1)CC2COC(O2)C3=CC=CO3.[I-] I- 1 0.651 1 3 0 -8.12321872346197 16192951 CC1CCN(CC1)C(C2=CC=CC=C2)C(=O)O.Cl Cl- 1 -0.346 1 2 0 -9.59518665012881 16192950 CC1CN(CC(O1)C)CC2=NN=C(O2)C3=CC=CC=C3.Cl Cl- 1 1.838 3 2 0 -4.8922052687028 16192949 CN(C)CCCN(C1=NC(=CS1)CC(=O)NC2=CC=C(C=C2)Cl)C(=O)COC3=CC=CC=C3.Cl Cl- 1 3.766 4 3 0 -9.21367493303614 16192947 C1=CC=C2C(=C1)C(=CN2)CCNCC3=CN=CC=C3.Cl Cl- 1 2.415 3 0 -3.53739242788007 16192946 CC(=O)NNC1=NC(=CS1)C2=CC=CC=C2.Br Br- 1 1.279 3 1 0 2.86913000081232 16192945 C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Cl-] Cl- 1 4.887 2 2 7.98973296359821e-002 16192944 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=C(C=CC=N3)Cl.Cl Cl- 1 2.453 2 3 -7.91307518616972 16192942 C1C2CC3CC1CC(C2)C3NCC4=CC=NC=C4.Cl Cl- 1 2.474 2 0 3.22749696765498 16192941 CN(C)C1=NCC(S1)CSC(=N)N.Br Br- 1 1.131 4 0 0 -5.78146513563053 16192939 CCOC1=CC2=C(C=C1)C(=CC([N+]2(C)C)(C)C)C.[I-] I- 1 2.124 1 1 -1.91908031870064 16192938 CC1=[N+](C=CC2=CC=CC=C12)CC=C.[Cl-] Cl- 1 3.105 1 0 -0.506136846200643 16192937 CC(C)CCN1C(=NN=N1)C(C2=C(C(=CC=C2)OC)OC)N3CCN(CC3)CC=C.Cl Cl- 1 3.247 6 2 0 -20.3841167072467 16192936 CC1=C([N+](=CC=C1)CC(=O)N2CCCCC2)C.[Br-] Br- 1 2.249 2 1 -7.93890610923872 16192935 CC1=CC([N+](C2=C1C=CC(=C2)OC)(C)C)(C)C.[I-] I- 1 1.775 1 1 0 -0.819977649028267 16192934 CC1=CC=C(O1)C(=O)NN=C/C=C/C2=CC=CC=C2 1 2.584 2 2 1.07256917879199 16192933 CC(=O)NC1=CC=C(C=C1)OCC[N+]2=CC=CC(=C2)C(=O)N.[Br-] Br- 1 1.189 3 3 0 -6.58579357528754 16192932 C1=CC(=CN=C1)C(=O)NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl Cl- 1 1.285 3 5 0 -13.9136171139517 16192931 CC1=CC=CC2=C1CC(N=C2C)(C)C.Cl Cl- 1 2.973 1 0 0.806019997289138 16192929 CC(=NNC1=CC=CC=C1[N+](=O)[O-])/C=C/C2=CC=CC=C2 1 3.781 3 2 -2.50824565080924 16192927 CC[N+]1=C(SC2=CC=CC=C21)C=C3C=C(OC(=C3)C)C.[Cl-] Cl- 1 4.175 1 1 11.7506322911128 16192926 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=CC=C4N)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 7.402 2 0 3.30613068683983 16192925 CN1C=CN=C1SCC(=O)C2=CC=C(C=C2)Cl.Br Br- 1 2.926 2 1 -1.343754478565 16192924 CC(C)C1=NC2=CC=CC=C2N1CC=C.Cl Cl- 1 3.558 2 0 -5.08639674951825 16192923 CC1=CC=CC(=C1)C(=O)OC(C)CN2CCN(CC2)C.Cl Cl- 1 2.645 2 2 -3.01335900569215 16192922 C1=CSC(=C1)CNCC2=CC=NC=C2.Cl Cl- 1 1.54 2 0 0 0.224187743601891 16192921 C1=CC=C(C=C1)C2=CSC(=N2)CCN.Cl Cl- 1 1.779 2 0 0 2.13812959610922 16192920 CCC1=NC=CN1CC2=C(C=CC(=C2)C=O)OC.Cl Cl- 1 2.177 2 2 -8.38851712690099 16192919 CC1=CC=C(C=C1)C#CC[N+](C)(C)CC#C.[Br-] Br- 1 2.817 1 0 -0.378249141351374 16192918 CC1CCC2=C(N3C(=NC=N3)N=C2C1)NCCN(C)C.Cl Cl- 1 2.499 6 0 -11.8662760225716 16192917 CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCCCC3.Cl Cl- 1 3.619 1 3 2.8581105703623 16192916 CC(C)(C)N(C)CCOC(=O)C1=CC2=C(C=C1)OCO2.Cl Cl- 1 2.523 1 4 -6.58519743020998 16192915 CC1CCCN(C1)C2=C(C=C(C=C2)F)N.Cl Cl- 1 2.687 2 0 -0.330933047288028 16192914 CCN1CCN(CC1)C(C2=CC=CC=C2)C3=NN=NN3CC4=CC=C(C=C4)OC.Cl Cl- 1 2.999 6 1 0 -16.763424274685 16192913 C1COC2=C(O1)C=CC(=C2)C3=NN=C(SC3)N.Br Br- 1 1.727 3 2 0 -2.06112505924405 16192912 CCN1/C(=C/C2=[N+](C3=C(C=C2)C=C(C=C3)C)C)/SC4=C1C5=C(C=C4)SC=C5.[I-] I- 1 7.273 2 0 8.1786766960068 16192910 CC(C)C(C1=NN=NN1CC2=CC=C(C=C2)F)N3CCC(CC3)C(=O)N.Cl Cl- 1 1.997 6 1 0 -14.8045488522045 16192908 CC(C)(C)C(=O)CN1C2=CC=CC=C2N3C1=NCC3.Br Br- 1 2.312 3 1 -9.82621350989428 16192907 CC1=C[N+](=CC=C1)CC2OCC3=CC=CC=C3CO2.[Br-] Br- 1 3.195 1 2 1.57461026160956 16192906 C[N+](C)(CC#C)CC#CC1=CC=CC=C1.[Br-] Br- 1 2.331 1 0 -0.91222696777857 16192905 CN(C)C1=CC=[N+](C=C1)CC(=O)N2CCCC3=CC=CC=C32.[Cl-] Cl- 1 2.97 3 1 -10.1812914138037 16192904 CC1=C(C=C[N+](=C1C)CC(=O)C2=CC=CC=C2)N.[Br-] Br- 1 2.575 2 1 -2.46327134721904 16192902 CN(C)CCCCCN(C)CC1=CC2=CC=CC=C2O1.Cl Cl- 1 3.522 2 1 8.84224343083966 16192900 C=CCN1C2=CC=CC=C2N3C1=NCCC3.Br Br- 1 1.863 3 0 0 -11.5605861775187 16192896 CC1=CC=[N+](C=C1)CC(=O)N2CCCC3=CC=CC=C32.[Cl-] Cl- 1 3.294 2 1 -8.39271929088825 16192895 CC1=CC2=NC(=C(N2C=C1)NC3CCCC3)C4=CC=CS4.Cl Cl- 1 4.706 3 0 -5.93971335443847 16192894 C1CCCN(CC1)C2=C(C=C(C=C2)F)N.Cl Cl- 1 2.824 2 0 1.99202499017804 16192893 C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)NC4=CC=CC=C4.Cl Cl- 1 3.056 4 1 -1.25561167888499 16192892 COC(=O)CCC/C=C/1\C(=NO)C(CS1)NC(=O)C2=CC=CC=C2 1 2.303 2 4 -13.6220847109153 16192891 C1CCC2(CC1)N=C(N=C(N2C3=C(C=C(C=C3)F)F)N)N.Cl Cl- 1 2.114 5 0 7.38557379768302 16192890 CC1=C(C=C(C=C1)NC2=NCC(=O)N2C3CCCC3)C.Cl Cl- 1 3.257 3 1 -3.07594456303303 16192889 CC1CCCN(C1)C(C2=CC=CS2)C3=NN=NN3CCOC.Cl Cl- 1 2.185 5 1 -17.3337688378526 16192886 CCC1=NN(C(=C1C)N)C.Cl Cl- 1 1.293 3 0 0 -1.67304526555523 16192885 CC1=CC=C(C=C1)C(C2=NN=NN2CC3CCCO3)N4CCN(CC4)C.Cl Cl- 1 1.928 6 1 0 -18.9181386744965 16192884 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=C(C=C5)OC)C(F)(F)F.Cl Cl- 1 3.71 6 3 0 -21.5508093107231 16192883 CC1=C(C=C(C=C1)NC2=NCC(=O)N2CC3=CC=CS3)C.Cl Cl- 1 3.178 3 1 -0.482379216410504 16192881 C1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCC4CCCO4.Cl Cl- 1 2.602 4 1 0.415784642520347 16192879 CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)F)N3CCC(CC3)C(=O)N.Cl Cl- 1 2.26 6 1 0 -11.800976165915 16192878 CCN1CCN(CC1)C(C2=CC=C(C=C2)F)C3=NN=NN3CC4=CC5=C(C=C4)OCO5.Cl Cl- 1 2.989 6 2 0 -15.6667859388909 16192877 CC1=[N+](C2=CC(=C(C=C2N1CCCOC(=O)C)Cl)Cl)C.[I-] I- 1 3.479 2 2 -4.90158501782245 16192876 CCN1CCN(CC1)C(C2=CC=CC=C2)C3=NN=NN3CC4=CC5=C(C=C4)OCO5.Cl Cl- 1 2.783 6 2 0 -18.1943688698112 16192875 CC1=C[N+](=CC=C1)CC2=CC=C(C=C2)[N+](=O)[O-].[Br-] Br- 1 3.398 2 2 1.15360057659849 16192874 CC1=CC=C(C=C1)NC2=NCC(=O)N2C3CCCC3.Cl Cl- 1 2.771 3 1 -3.22077099992551 16192873 CCC1=CC=CC=C1NC2=NCC(=O)N2C3CCCC3.Cl Cl- 1 3.227 3 1 -3.69255009784402 16192871 CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)CCCN.Cl Cl- 1 3.941 2 0 -1.37528717740972 16192870 CN(C)C1=NC(=NC(=N1)NN=CC2=CC=CC=C2F)NCC3=CC=CC=C3.Cl Cl- 1 3.157 7 0 0 -3.54800856409151 16192868 CCCCC1(CC(OC1=O)CSC(=N)N)C(=O)OCC.Br Br- 1 2.513 2 4 -4.66805820624965 16192866 CCCC(CCC)C(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN4CCN(CC4)C)C=C1.Cl Cl- 1 5.619 4 2 -10.0912795363354 16192865 CC(=O)OCCCCCCCCCCC[N+]1(CCCCC1)C.[I-] I- 1 3.557 1 2 -7.26686088659674 16192864 COC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N2CC4=CC=CC=C4)CC5=CC=CC=C5.[Br-] Br- 1 7.063 2 1 2.31463059945172 16192862 CN\1C=CC(=C/C1=C\[NH+]=O)C(=O)NCCC[N+](C)(C)C.[Cl-] Cl- 1 -2.083 4 2 0 -9.6727864208927 16192861 CC1=C(C=C2C(=NC(CC2=C1)(C)C)C)C.Cl Cl- 1 3.46 1 0 0.176661599732077 16192860 C1=CC=C(C=C1)C2=NC3=C(C(=N2)N(CCO)CCO)OC4=CC=CC=C43.Cl Cl- 1 2.605 3 3 10.4930357837492 16192859 C1=CC=[N+](C=C1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.[Cl-] Cl- 1 4.141 2 1 -0.90109375783504 16192858 CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C34CC5(CC(C3)(CC(C5)(C4)C)C)C.[Br-] Br- 1 6.304 1 3 -4.71221001310835 16192857 CC[N+]1=C(C=CC2=C1C(=CC=C2)C)/C=C\3/N(C4=CC=CC=C4S3)C.[I-] I- 1 6.411 2 0 11.9586318018393 16192856 CCC1CCCCN1C(=O)CNCC2CCCO2.Cl Cl- 1 1.227 2 2 0 -12.8791556236121 16192855 CCC1=CC2=C(N=CN=C2S1)NC3CCCC3.Cl Cl- 1 3.674 3 0 -2.559500220982 16192854 CC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)F)N3CCC(CC3)C(=O)N.Cl Cl- 1 1.737 6 1 0 -11.0370378055317 16192853 CCC1CC2(C3=C(CCC3)CC[N+]2(C1)C)C.[I-] I- 1 2.02 1 0 -4.40487349195477 16192852 CC(C)C1=CC=C(C=C1)NC2=NCC(=O)N2CC3=CC=CS3.Cl Cl- 1 3.4 3 1 -0.343745956651347 16192851 CC1CC(CN(C1)CCC(=O)NC2=CC3=C(CCC3)C=C2)C.Cl Cl- 1 3.817 2 1 -11.8905583899895 16192850 CCC(C1=NN=NN1CC2=CC3=C(C=C2)OCO3)N4CCN(CC4)CC.Cl Cl- 1 2.072 6 2 0 -18.9909036894508 16192848 CCN1CCN(CC1)C(C2=CC=C(C=C2)OC)C3=NN=NN3CC4=CC5=C(C=C4)OCO5.Cl Cl- 1 2.767 6 3 0 -16.7916291735002 16192846 CC(C)OC1=C(C=C(C=C1)C(=O)C)CSC(=N)N.Cl Cl- 1 2.457 2 2 -7.56751228727667 16192845 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)N3CCCC3.Cl Cl- 1 3.724 2 1 -5.82445938648044 16192844 CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl.[Cl-] Cl- 1 4.226 3 1 -5.14759969975073 16192843 CC1=CC=[N+](C=C1)CC2OCC3=CC=CC=C3CO2.[Br-] Br- 1 3.195 1 2 2.52797410783606 16192842 COC1=C(C=C(C=C1)C2=CC=C(O2)CNCCCN3CCOCC3)Cl.Cl Cl- 1 2.896 2 3 4.14133361798742 16192841 CC(C(=O)NCC1(CCOCC1)C2=CC=CC=C2)N3CCOCC3.Cl Cl- 1 1.277 2 3 0 -21.5602600325523 16192840 C1=CC(=CC=C1CN2C=C(C=N2)N)F.Cl Cl- 1 1.522 3 0 0 -2.23753832778479 16192839 CC1=CC=C(C=C1)CN2C(=NN=N2)CN3CCC(CC3)NC(=O)C(C)(C)C.Cl Cl- 1 2.187 6 1 0 -25.3717417040887 16192838 COCCNC(=O)CN1CCCCCC1.Cl Cl- 1 0.622 2 2 0 -12.3665569936314 16192836 CC1=C[N+](=CC=C1)CC(=O)NC2=NC3=CC=CC=C3S2.[Cl-] Cl- 1 3.182 3 1 -2.65508106408089 16192835 COCCN1C(=NN=N1)C(C2=CC=CS2)N3CCN4CCCC4C3.Cl Cl- 1 1.395 6 1 0 -12.2625610983384 16192832 C1=CC=[N+](C=C1)CC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl.[Cl-] Cl- 1 4.064 2 1 -4.01491370012127 16192828 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[N+]2=CC=C(C=C2)N(C)C.[Cl-] Cl- 1 2.613 4 3 0 -12.181815411795 16192827 CCCCC1=C(C2=C(C=CC(=C2)Br)N=C1C)SC(N)N.Cl Cl- 1 4.56 3 0 0.472061424265369 16192826 C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-].Br Br- 1 3.581 3 2 6.16538366567849 16192825 CN(C)CCCN(C1=NC(=CS1)CC(=O)NC2=CC=C(C=C2)Cl)C(=O)C3CCCCC3.Cl Cl- 1 4.393 4 2 -6.86159159509715 16192824 CC(C1=CC=CC=C1)NCC2=CC=CS2.Cl Cl- 1 3.068 1 0 0.344772958170494 16192823 CC1=C(C=C[N+](=C1C)CC(=O)C2=CC=C(C=C2)OC)N.[Br-] Br- 1 2.559 2 2 -2.08058998885384 16192822 COC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=N2)NCC4CCCO4.Cl Cl- 1 3.039 4 2 -3.13411447941588 16192821 CCCC(CCC)C(=O)OC[N+](C)(C)CCOC(=O)C(C1CCCC1)(C2=CC=CC=C2)O.[Cl-] Cl- 1 4.323 1 5 -10.1475958722037 16192820 COCC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F.Cl Cl- 1 1.887 2 2 0 1.70625595260471 16192819 CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=CS2)C)C.Cl Cl- 1 2.804 2 3 -23.216017611564 16192818 CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCOC(=O)C)C.[I-] I- 1 3.766 2 2 9.08773527065789e-002 16192817 CC1(OC(=C/C(=C/C=NC2=CC=C(C=C2)OC)/O1)C3=CC=CC=C3)C.Br Br- 1 3.531 1 3 7.63425938712442 16192815 C[N+]1(CCCCC1)CC(=O)OCCCC2=CC=CC=C2.[I-] I- 1 1.95 1 2 0 -5.83641476877436 16192814 C[N+](C)(C/C=C\C1=CC=CC=C1)CC(=O)OC.[Br-] Br- 1 0.723 1 2 0 -4.24244558499622 16192813 CC(C)C(C1=NN=NN1C(C)(C)C)N2CCN(CC2)CC3=CC=CC=C3OC.Cl Cl- 1 3.19 6 1 0 -9.93280388662869 16192812 C1CN=C2N(C1)C3=CC=CC=C3N2CCCl.Cl Cl- 1 1.911 3 0 0 -7.97279661751005 16192811 CN1CC2=CC(=C(C=C2C3(C1)CCCCC3)OC)OC.Cl Cl- 1 3.535 1 2 -0.175946714727617 16192810 C1CCN(CC1)CCN2C3=CC=CC=C3N4C2=NCCC4.Cl Cl- 1 2.302 4 0 -8.87996146426974 16192809 C1COCCN1CCCS(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-].Cl Cl- 1 1.344 2 5 0 -13.0274377248793 16192807 CN(C)CCN1C2=C(C(=O)OC3=CC=CC=C32)N=N1.Cl Cl- 1 1.991 4 2 0 -8.3655993726688 16192806 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=CC=C4.Br Br- 1 4.484 3 1 -2.10314190059317 16192805 C[N+](C)(C/C=C\C1=CC=CC=C1)CC#N.[Cl-] Cl- 1 0.747 2 0 0 -1.8008979672003 16192804 CCN\1C2=C(C=C(C(=C2)C)C)S/C1=C\C3=[N+](C4=C(C=C3)C=C(C=C4)C)CC.[I-] I- 1 7.732 2 0 16.3151518646547 16192802 CC1=C([N+](=CC=C1)CC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C.[Br-] Br- 1 3.2 2 4 -8.93934867000237 16192801 C1=CC=C(C=C1)CNCC2=CC(=CC=C2)[N+](=O)[O-].Cl Cl- 1 2.845 2 2 -1.99157197237743 16192800 CCCCOC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=[N+](C=C3)C.C1=CC=C(C=C1)S(=O)(=O)[O-] [O-]S(=O)(=O)c1ccccc1 1 3.971 3 2 2.23198717399461 16192799 CCCCCCN1C2=CC=CC=C2N3C1=NCCC3.Cl Cl- 1 3.487 3 0 -7.77779015883204 16192798 CCCCCC1=CC(=C(C=C1)OCCCC[N+]2=CC=C(C=C2)C)CCCCC.[Cl-] Cl- 1 8.817 1 1 5.2797015521648 16192797 C1CC(OC1)CN2C(=NN=N2)CN3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 4.2e-002 6 3 0 -24.7672667293734 16192796 C1CCCN(CC1)CC2=CNC3=CC=CC=C32.Cl Cl- 1 3.57 2 0 3.20161163128106 16192795 C=CCOC1=CC=CC(=C1)CNCCCN2CCOCC2.Cl Cl- 1 1.856 2 2 0 -7.03136471810853 16192794 C1CN(CC2=CC=CC=C21)CCC(=O)NC3=CC(=C(C=C3)F)F.Cl Cl- 1 3.273 2 1 -5.71487651528802 16192792 CC1=CC=C(C=C1)C2=CSC(=N2)N(CCCN(C)C)C(=O)C3=CC=CO3.Cl Cl- 1 3.847 3 2 -2.01169816960866 16192789 CC(CN1CCOCC1)OC(=O)C2COC3=CC=CC=C3O2.Cl Cl- 1 1.662 1 5 0 -6.50780346596164 16192788 CC(=O)OC1(CCN(CC1(C)C)C)C2=CC=CC=C2.Cl Cl- 1 2.423 1 2 -0.649506499373961 16192787 CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)N(C)C3=CC=CC=C3)CC)C.[I-] I- 1 3.937 3 1 1.11837838972726 16192785 C1=CC=NC(=C1)CNCCNC(=O)C2=CC=CO2.Br Br- 1 0.684 3 2 0 -7.41641068428463 16192784 CC1=CC(=CC(=C1)NC2=C3CCCC3=NC4=NC=NN24)C.Cl Cl- 1 4.366 5 0 -7.02920020553519 16192783 CC1=C(C=C(C=C1)NC(=O)CN(C)C2CCCCC2)Br.Cl Cl- 1 4.049 2 1 -6.48511156961051 16192782 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.Cl Cl- 1 3.099 3 4 0 -5.61339437304285 16192781 CC1=CC=C(C=C1)CN2C(=NN=N2)CN3CCC(CC3)(C4=CN=CC=C4)O.Cl Cl- 1 1.198 6 1 0 -12.1462653309808 16192780 CC[N+]1=CC=CC=C1/C=C/NC2=CC=CC=C2.[I-] I- 1 3.402 2 0 1.58202569502317 16192779 C1CN(CCC1NC(=O)C2=CC=CC=C2F)CC(=O)NC3=CC4=C(C=C3)OCCO4.Cl Cl- 1 1.776 3 4 0 -13.8071374383803 16192777 CC(C(=O)C1=CC=C(C=C1)Br)[N+]2=CC=C(C=C2)NC(=O)C.[Cl-] Cl- 1 3.043 2 2 -4.46301828585016 16192776 C1CCC(CC1)N2C(=NN=N2)C(C3=CC=C(C=C3)F)N4CCCC4.Cl Cl- 1 3.65 5 0 -19.3995115171505 16192775 CCCCC1=CC=C(C=C1)NC2=NCC(=O)N2CCC3=CC=CC=C3.Cl Cl- 1 4.642 3 1 -1.36090146765798 16192774 C1=CC=C(C(=C1)NC(=O)C2=CC=[N+](C=C2)CC3=CC=C(C=C3)[N+](=O)[O-])Cl.[Br-] Br- 1 4.361 3 3 -4.55611732635361 16192773 CC(=O)NC1=CC=C(C=C1)CNC(=O)C[N+]2(CCOCC2)C.[Cl-] Cl- 1 -1.584 3 3 0 -15.3843228351155 16192772 CC1=[N+](C(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3)CCO.[I-] I- 1 4.2 1 1 1.78918867715749 16192771 C1=CC=C(C=C1)C(C(=O)NN=C/C=C/C2=CC(=CC=C2)[N+](=O)[O-])O 1 2.32 3 4 0 -5.565947255807 16192770 COC1=CC=CC(=C1OC)C(C2=NN=NN2CC3CCCO3)N4CCN(CC4)C(=O)C5=CC=CO5.Cl Cl- 1 1.728 6 5 0 -26.6470904459452 16192769 CC1=CC=C(C=C1)S(=O)(=O)CCSC(=N)N.Br Br- 1 2.084 2 2 -6.41720138658775 16192768 COC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O.Cl Cl- 1 3.054 2 3 4.54751000195708e-002 16192767 CC1=CC=CC=[N+]1CCCCCCCCCC[N+]2=CC=CC=C2C.[Br-] Br- 1 6.358 2 0 1.78137503486242 16192766 CN(C)CCOC(=O)CC12CC3CC(C1)CC(C3)(C2)CC(=O)OCCN(C)C.Cl Cl- 1 2.499 2 4 -1.96536477240122 16192765 CCCCCCCN1C2=C(CCCC2)C(=N)C3=C1CCC3.Br Br- 1 5.317 2 0 -7.64870486719605 16192764 CC1=CC=C(C=C1)C2=CC=[N+](C=C2)CC3=CC=CC=C3.[Cl-] Cl- 1 5.022 1 0 6.247535523072 16192763 CC(C)OC1=C(C=C(C=C1)CCN=C(N)N=C(N)N)Cl.Cl Cl- 1 1.685 5 1 0 -1.40448790299145 16192762 C1COCCN1C(=O)C2=CN=C3C=CC(=CC3=C2Cl)Cl.Cl Cl- 1 2.446 2 2 -1.54340167939025 16192761 C1CCN(CC1)C2=NC(=NC(=N2)SC(=N)N)N3CCCCC3.Cl Cl- 1 2.598 7 0 0 0.189325134583584 16192760 CN1CCN(CC1)C(C2=C(C=CC(=C2)OC)OC)C3=NN=NN3CC4=CC=CO4.Cl Cl- 1 1.815 6 3 0 -14.6392384190522 16192759 C1=CC=C(C=C1)CC(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)N.I I- 1 3.798 1 1 2.21029332907893 16192758 CCOC(=O)C[N+](C)(C)CCOC1CC2CCC1(C2(C)C)C.[Cl-] Cl- 1 1.223 1 3 0 -6.97905483024261 16192757 C[N+]1(CCCCC1)CC2COC3(O2)CCCCC3.[I-] I- 1 0.958 1 2 0 0.286324233645335 16192756 CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])[N+]2=CC=CC=C2.[Br-] Br- 1 2.449 3 3 -7.63256900747447 16192755 CC1=CC([N+](C2=CC=CC=C12)(C)C)(C)C.[I-] I- 1 1.792 1 0 0 -1.344519062041 16192754 COC(=O)CN1C2=CC=CC=C2N3C1=NCCC3.Br Br- 1 0.953 3 2 0 -12.2510946894815 16192753 CCC1=[N+](C2=CC=CC=C2N1CC(COCC3CCC=CC3)O)C.[I-] I- 1 4.018 2 2 3.96931730344769 16192752 C1CCC(CC1)C2=NC3=C(N2)C=C(C=C3)N.Cl Cl- 1 2.986 3 0 1.79082932780834 16192751 COC1=CC=C(C=C1)SCCC2=CC=NC=C2.Cl Cl- 1 3.109 1 1 3.05460815733954 16192749 CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3[N+]4=C2SCC(C4)O.[Br-] Br- 1 3.981 2 2 -3.42402128851111 16192748 C1=CC2=C(C=CC(=C2N=C1)N)Br.Cl Cl- 1 2.018 2 0 4.3367915210208 16192747 C1CCN(CC1)CC#CCOCC2=CC=CC=C2.Cl Cl- 1 3.28 1 1 -0.937147056927387 16192746 CCCOC1=CC=C(C=C1)C(=O)ON=C2CC(N(CC2C)C)C.Cl Cl- 1 3.335 2 3 -1.22936030452204 16192744 CCOC(=O)N1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)C)OC.Cl Cl- 1 1.883 3 4 0 -7.78809233100668 16192743 C1CCN(CC1)CC(=O)NCC2(CCCC2)C3=CC=CC=C3.Cl Cl- 1 3.335 2 1 -18.0117972636339 16192742 CC1=NN=C(S1)NC(=O)C(C)N2CCN(CC2)C3=CC=C(C=C3)OC.Cl Cl- 1 1.788 5 2 0 -11.6477292448177 16192741 CC(CC1=CNC2=CC=CC=C21)NC(=O)OCC[N+](C)(C)C.[I-] I- 1 1.376 3 2 0 -9.70484485338266 16192740 CCN(CC)CCCN(C1=NC(=CS1)C2=CC=C(C=C2)C)C(=O)C3=CC=CO3.Cl Cl- 1 4.544 3 2 -3.57329141037544 16192738 C1CN(CCC1NC(=O)C2=CC=CC=C2Cl)CC(=O)NCC3=CC=CO3.Cl Cl- 1 1.638 3 3 0 -14.9425592523987 16192737 CC1=CC=C(C=C1)OCC(=O)OC2CCCN(C2)C.Cl Cl- 1 2.635 1 3 -3.11814576608493 16192736 CC1=CC=C(C=C1)C(=O)OC2CCCN(C2)C.Cl Cl- 1 2.8 1 2 -4.13334918446666 16192735 C1=CC=C(C=C1)CC2=NC3=C(N2CCO)C=CC(=C3)N.Cl Cl- 1 2.225 3 1 2.84813032802513 16192734 C1COCCN1CCC(=O)C2=CC=C(C=C2)Br.Cl Cl- 1 2.26 1 2 -0.566277840905169 16192733 CC1=C[N+](=CC=C1)CC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl.[Cl-] Cl- 1 4.55 2 1 -2.36778766008587 16192732 CC1=CC=C(C=C1)CCCOC(=O)C[N+]2(CCCCC2)C.[I-] I- 1 2.436 1 2 -5.02159986399476 16192731 C1=C/C(=C/N=O)/NC=C1C(=O)NCCCN 1 -1.707 4 2 0 -8.31167390898397 16192730 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.451 3 3 -10.1942086612829 16192726 CC1CCC(C(C1)OCC(C[N+]2(CCCCC2)C)O)C(C)C.[I-] I- 1 2.378 1 2 -3.63746436666573 16192725 CC1=CC=C(C=C1)CN=C(N)NC2=NC(=CC(=N2)C)C.Cl Cl- 1 2.378 5 0 -4.2018985923472 16192724 CC1CC(C(CN1C)C)(CCNCC2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3.Cl Cl- 1 4.803 2 2 -3.26552843812809 16192723 CC(C)OC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN4CCN(CC4)CCO)C=C1.O.Cl Cl- H2O 1 3.495 4 4 0 -5.95995127904467 16192722 CCC1=C2C=CC=[N+]2CCN1CC(=O)C3=CC=C(C=C3)C.[Br-] Br- 1 2.851 2 1 -4.66760631958329 16192721 C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl.[Cl-] Cl- 1 4.604 3 3 -7.57793318365136 16192720 CC(C)NCC(COC1C2CC3CC(C2)CC1C3)O.Cl Cl- 1 2.126 1 2 -0.675954034007405 16192719 COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2F)OC)NC(=O)CN3CCOCC3.Cl Cl- 1 1.601 3 5 0 -16.1074253100167 16192718 CCOC(=O)CN1C2=CC=CC=C2N3C1=NCCC3.Br Br- 1 1.302 3 2 0 -12.5941637587956 16192717 COC1=CC(=CC(=C1OC)OC)C(=O)NCCCN2C=CN=C2.Cl Cl- 1 0.793 3 4 0 -9.65540478944074 16192716 CC1=C[N+](=CC=C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-].[Cl-] Cl- 1 2.451 3 3 -7.05578729220699 16192715 C1CN2CCC1C(C2)C(C3=CC(=CC=C3)Cl)(C4=CC(=CC=C4)Cl)O.Cl Cl- 1 4.557 1 1 6.22536905171358 16192713 CCCCCC1=CC(=C(C=C1)OCCCC[N+]2=CC=CC(=C2)C)CCCCC.[Cl-] Cl- 1 8.817 1 1 4.03128979376239 16192712 C[N+]1=C2N(C3=CC=CC=C31)N=C(CS2)C4=CC=C(C=C4)C5=CC=CC=C5.[Br-] Br- 1 5.762 3 0 0.873017236248724 16192711 CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NN=N2)C(CC(C)C)N3CCN(CC3)C.Cl Cl- 1 2.723 6 2 0 -20.3187092105927 16192710 CC(=NNC(=O)CCC1=CC=CC=C1)/C=C/C2=CC=CC=C2 1 3.613 2 1 -7.3652886717752 16192708 CN(C)C1=CC=[N+](C=C1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.[Cl-] Cl- 1 4.304 3 1 -2.0118194479578 16192707 CCC1C(N(C(CC1(C2=CC=CC=C2)O)C3=CC=CC=C3)C)C4=CC=CC=C4.Cl Cl- 1 5.321 1 1 5.03713216139659 16192706 CNCC1=NC2=CC=CC=C2N1.Cl Cl- 1 1.076 3 0 0 -0.161569306473831 16192705 CCN(CC)CCN1C(=NC2=CC=CC=C21)C.Cl Cl- 1 2.648 3 0 -1.06846379700283 16192704 C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)NCCCN.Cl Cl- 1 1.708 3 2 0 -1.21257047034937 16192703 CC1=CC=C(C=C1)C#CC[N+](C)(C)CC#CC2=CC=CC=C2.[Br-] Br- 1 3.799 1 0 2.07798805213788 16192702 CC1=CC(=CC=C1)NC2=NCC(=O)N2CC3=CC=CS3.Cl Cl- 1 2.692 3 1 1.55578692503396 16192701 C1=CC=C(C=C1)/C=C/C=NNC(=O)N 1 1.169 3 1 0 -0.597296399427645 16192700 CC(C)(C)C(CC#CCN1CCCC1)(C2=CC=CC=C2)O.Cl Cl- 1 4.087 1 1 2.03693175835702 16192698 CC1=C[N+](=C(C=C1)C)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3.[Cl-] Cl- 1 4.84 1 1 1.22938396220467 16192697 CCCC(C1=NN=NN1CC2CCCO2)N3CCN(CC3)C4=CC=CC=C4.Cl Cl- 1 2.859 6 1 0 -22.0743148377939 16192696 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[N+]3=CC=CC=C3.[Cl-] Cl- 1 3.444 2 3 -18.366138003968 16192695 COC1=C(C=C(C=C1)CN(CCCl)CCCl)Cl.Cl Cl- 1 3.882 1 1 0.127081330976205 16192694 CC1=C(C=C(C=C1)OCC(=O)NN=C(C)/C=C/C2=CC=CO2)C 1 3.325 2 3 -4.30188104847848 16192693 CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCCN4CCCC4.Cl Cl- 1 4.906 4 1 -6.1142858087534 16192692 COC1=CC=CC=C1C2=NN(C(=O)C=C2)CC(=O)NCC3CCCO3.Cl Cl- 1 1.055 3 4 0 -16.4180977540294 16192689 CC(C)C(C1=NN=NN1C(C)(C)C)N2CCN(CC2)CC3=CN=CC=C3.Cl Cl- 1 2.055 7 0 0 -8.27527165825517 16192687 CCOC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=NC=C4)/O 1 1.384 3 5 0 -10.6590865801511 16192682 CCCN1C2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=C(C=C4)Cl.Cl Cl- 1 4.713 4 0 5.5163557450539 16192681 C1C2CC3CC1CC(C2)(C3)NCC4=CC=NC=C4.Cl Cl- 1 2.36 2 0 3.00603362211084 16192680 COC1=C(C2=CC=CC=C2C=C1)CNCCCN3CCOCC3.Cl Cl- 1 2.148 2 2 1.42522654640415 16192679 C=CCOC1=CC=CC=C1CNCCNC(=O)C2=NON=C2N.Cl Cl- 1 0.85 5 3 0 -18.0500700484889 16192678 COC1=CC=CC(=C1OC)CC2=NC=CC3=CC(=C(C=C32)OC)OC.Cl Cl- 1 3.503 1 4 -2.48744388310187 16192677 CC1=CC(=NC(=N1)NCCO)C.Cl Cl- 1 -6.6e-002 3 1 0 -0.459925714193992 16192676 CN1CCN(CC1)C(C2=CC=CS2)C3=NN=NN3CC4=CC=C(C=C4)F.Cl Cl- 1 2.825 6 0 -11.8078522274612 16192674 CN1C(=NN=N1)SCCNCC2=CC(=C(C=C2OC)OC)OC.Cl Cl- 1 1.36 5 3 0 -13.936216771626 16192673 C1CN2CCC1C(C2)NCC3=CC=CC=C3F.Cl Cl- 1 2.109 2 0 6.50623014738052 16192672 CC1=C(SC=C1)CNC23CC4CC(C2)CC(C4)C3.Cl Cl- 1 3.736 1 0 1.45726552693661 16192671 CN(C)N1C(=O)CC(C1=O)N2CCCC2.Cl Cl- 1 -0.386 3 2 0 0.60122071102683 16192670 COC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OC)NC(=O)CCC(=O)NC3=CC=CC4=C3C=CC=N4.Cl Cl- 1 2.842 4 5 0 -15.5118712027392 16192669 C1CCN(C1)CC#CCC(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 5.151 1 0 -1.16819374621095 16192667 CC(C)CC1=NC2=C(N1)C=C(C=C2)N.Cl Cl- 1 2.234 3 0 3.56056105819702 16192666 COCCN=C1N(CC2=C(S1)N=C3C=C4C(=CC3=C2)OCO4)CC5CCCO5.Cl Cl- 1 3.093 3 4 0 -11.2343377385148 16192665 CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC=NC=C4.Cl Cl- 1 3.069 2 0 1.03183496029038 16192664 CN(C)CCN(CC1=C(N=C2C=C3C(=CC2=C1)OCO3)Cl)C(=O)COC.Cl Cl- 1 1.866 3 4 0 -7.61141824980118 16192662 CCC1=CC=C(C=C1)CNCC2=CC=CS2.Cl Cl- 1 3.633 1 0 9.20540804920064e-002 16192660 C[N+]1(CC2CC3=CC=CC=C3C=C2C1)C.[I-] I- 1 1.029 1 0 0 1.71341805596104 16192659 CC1=[N+](C2=C(N1C3=CC=CC=C3)C=CC(=C2)Cl)CCO.[I-] I- 1 3.95 2 1 6.5806110180741 16192657 CC(C)CNCC1OCC2=CC=CC=C2CO1.Cl Cl- 1 2.25 1 2 -1.692690164341 16192656 CC1=CC(=C[N+](=C1)C[N+]2=CC(=CC(=C2)C)C)C.[Br-] Br- 1 4.614 2 0 -0.385263051503109 16192655 C1CSC2=CC=CC=C2N1.Cl Cl- 1 1.999 1 0 0 -5.28015818166639 16192654 CN1C(=NN=N1)SCCNCC2=C(C(=C(C=C2)OC)OC)OC.Cl Cl- 1 1.36 5 3 0 -12.4147804821258 16192653 CCCC1=[N+](C2=CC=CC=C2N1CC(COC3CCCCC3)O)C.[I-] I- 1 4.588 2 2 3.04637203891129 16192652 CN(C)C(=O)N1CCNCC1.Cl Cl- 1 -0.798 3 1 0 -13.1982457037092 16192651 CC1=NC=CN1CC2=C(C=CC(=C2)C=O)OC.Cl Cl- 1 1.51 2 2 0 -6.04235960468183 16192650 C1CC(CC=C1)CN2CCNCC2.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 1.485 2 0 0 8.35628252245695e-002 16192649 CCCC(C1=NN=NN1C(C)(C)C)N2CCN(CC2)C(=O)C3=CC=CO3.Cl Cl- 1 2.078 6 2 0 -18.8596037868995 16192648 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)C4=CC=CC=N4)OC.Br Br- 1 3.24 6 4 0 -5.54468084363173 16192647 CCCCCCCCCCCCOCN1C=[N+](C2=CC=CC=C21)C.[Cl-] Cl- 1 7.586 2 1 2.56136247151018 16192645 CC1=CC=CC=C1CN2CCN(CC2)C(=O)CC3=CC=CC=C3.Cl Cl- 1 3.305 2 1 -6.0170007338549 16192644 CC(C)(C)C1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)OC)/O)/C(=O)C(=O)N2C4=NC=CC=N4 1 4.079 3 4 0 -1.27112187539059 16192643 C1=CC(=CC=C1N)N(CCO)CCO.Cl Cl- 1 0.166 2 2 0 -1.34049824476654 16192642 CCN1C(=NC2=C1C=CC(=C2)N)C.Cl Cl- 1 1.414 3 0 0 2.98662066906227 16192641 CC1=C(C(=NN1CCN)C)Cl.Cl Cl- 1 0.743 3 0 0 -1.99672206006266 16192640 CC1=NC(=C(C=C1)O)CCC2=CC=C(C=C2)O.Cl Cl- 1 2.915 1 2 3.11480505978982 16192639 CC1=NC2=CC=CC=C2C(=C1)NC3=CC=CC=C3O.Cl Cl- 1 3.607 2 1 7.83161142601615 16192637 COC1=C/C(=C/NN=C2N(C(=O)CS2)C3=CC=C(C=C3)O)/C=CC1=O 1 1.502 3 4 0 -3.11810576163127 16192636 C1CCC(C1)NCC2=CN=CC=C2.Cl Cl- 1 1.619 2 0 0 0.631180688612796 16192635 CCOC1=CC=CC(=C1OCC2=CC=CC=C2)CNCC3=CN=CC=C3.Cl Cl- 1 3.7 2 2 -2.84848006291221 16192634 CC1=CC=CC=C1C(=O)NCCN2CCOCC2.Cl Cl- 1 1.35 2 2 0 -12.3566212220492 16192633 CCC1=NN=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3F.Cl Cl- 1 2.193 5 1 -8.6963466357551 16192632 CC1C2=C(CC(N1)(C)C)C3=CC=CC=C3C=C2.Cl Cl- 1 3.31 1 0 -1.57986495791053 16192631 CCCC1=[N+](C2=CC=CC=C2N1CC(COCC3CCC=CC3)O)C.[I-] I- 1 4.474 2 2 4.31119175939144 16192630 CC1=NN=C(N1N)NN=CC2=CC=C(O2)C3=CC=CC=C3F.Cl Cl- 1 1.896 6 1 0 -5.13396576027198 16192629 CCCCCC1=C(N=C(NC1=O)SCCN2CCOCC2)O.Cl Cl- 1 2.991 3 3 -15.379860365681 16192628 CC1=C(SC=C1)CNC2C3CC4CC(C3)CC2C4.Cl Cl- 1 3.851 1 0 1.3540907907011 16192627 CC1=NC2=C(N1C3CCCCC3)C=CC(=C2)N.Cl Cl- 1 2.923 3 0 -0.284651622645303 16192626 COC1=C(C(=CC(=C1)CNCCC2=CNC3=CC=CC=C32)Cl)OCC(=O)N.Cl Cl- 1 3.051 3 3 -9.26731128333991 16192625 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOC(=O)C34CC5CC(C3)CC(C5)C4.Cl.[Cl-] Cl- Cl- 1 3.983 4 2 -0.680921012443177 16192624 CCOC1=C(C(=CC(=C1)CNCCC2=CNC3=CC=CC=C32)Cl)OC.Cl Cl- 1 4.546 2 2 -4.25034928556785 16192623 COC1=C(C=C(C=C1)C=O)CN2C=CN=C2.Cl Cl- 1 1.249 2 2 0 -4.87454718225696 16192621 C1=CC=NC(=C1)CC2=CC=C(C=C2)N.Cl Cl- 1 1.914 2 0 0 0.181688203209952 16192620 C1=CC=C(C=C1)/C=C/C=NNC2=NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)C(=O)O 1 2.961 4 4 0 -6.57697514500902 16192619 CC1=CC2=C(C=C1)[N+](C(C=C2C)(C)C)(C)C.[I-] I- 1 2.278 1 0 -0.30832082440788 16192618 CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2COC4=CC=CC(=C4)C)C)C(C)C.[Cl-] Cl- 1 7.079 2 3 0.347108167630104 16192616 CCN1C2=CC=CC=C2N(C1=N)CC(C3=CC=CS3)O.Cl Cl- 1 2.427 3 1 0.272905546063505 16192615 C1=CC2=C(C=C1N)NC(=N2)C(F)(F)F.Cl Cl- 1 1.947 3 0 0 3.07535865924145 16192614 CCCCCCCCN1C2=C(CCCC2)C(=N)C3=C1CCC3.Br Br- 1 5.774 2 0 -7.64870486719605 16192611 C1CN2C(=CSC2=N1)C3=CC=C(C=C3)F.Cl Cl- 1 2.035 2 0 0.71068994824759 16192610 CC1=NN=C(N1N)NN=CC2=C(C=CC=C2Cl)Cl.Cl Cl- 1 1.814 6 0 0 -8.32455296590344 16192609 CC(=NNC(=O)CC1C(=O)NNC(=N1)CC2=CC=CC=C2)C3=CN=CC=C3 1 0.107 6 2 0 -12.6436590736423 16192608 CC1=CC=CC=[N+]1CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.[Cl-] Cl- 1 4.287 2 1 -0.338786564597284 16192607 CCCCCCCCCN1C2=C(CCCC2)C(=N)C3=C1CCC3.Br Br- 1 6.23 2 0 -7.64870486719605 16192606 CC1=C2C=CC=[N+]2CCN1CC(=O)C3=CC=CC=C3.[Br-] Br- 1 1.841 2 1 0 -6.23612437214542 16192605 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)[N+]2=CC=CC=C2.[Br-] Br- 1 2.935 3 3 -9.18998916322646 16192604 CN(C)C1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3.[Cl-] Cl- 1 4.371 2 1 0.151388680828111 16192601 CC1=C(SC(=N1)NN=CC2=CC=C(C=C2)[N+](=O)[O-])C.Cl Cl- 1 2.131 4 2 -1.98548368520878 16192599 CCC(=O)OC1(C(CN(CC1C)C)C)C2=CC=CC=C2.Cl Cl- 1 3.135 1 2 -4.00121048560202 16192598 C1=CC=C(C=C1)NC(=O)C[N+]2=CC=C(C=C2)N.[Cl-] Cl- 1 1.324 3 1 0 -5.26645375238443 16192597 CC1(CC(=NNC(=O)C2CC2C3=CC=CC=C3)CC(=O)C1)C.I I- 1 2.242 2 2 -9.12062934332535 16192595 CC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3.[Br-] Br- 1 3.961 2 2 -6.20579687436499 16192594 CCCC1=[N+](CCN2C1=CC=C2C)CC(=O)C.[Br-] Br- 1 2.192 2 1 -6.01723139632203 16192593 C1CCC2=C(C1)C(=N)C3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])CCC3.Cl Cl- 1 4.098 3 2 -7.661889133668 16192592 CCN(CC)CCSC1=NC2=C(N1)C=C(C=C2)OC.Cl Cl- 1 3.248 3 1 -3.12592238192678 16192591 C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)Cl)CN.Cl Cl- 1 3.729 1 0 10.0573278818689 16192590 CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=C(C=C3)C.O.Cl Cl- H2O 1 5.803 2 3 3.07490065845018 16192589 CC(C)C1CC(CCO1)(CCN)CC2=CC=CC=C2.Cl Cl- 1 3.075 1 1 2.00388266852361 16192588 CC(C)C1CC(CCO1)(CCN2CCCCC2)C3=CC=CC=C3.Cl Cl- 1 4.504 1 1 -6.07959932117864 16192587 C[N+](C)(C)CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2.[Br-] Br- 1 1.67 2 2 0 -8.83033762052993 16192586 CCN(CC)CCN1C2=CC=CC=C2N=C1N.Cl Cl- 1 2.182 4 0 2.14355095960083 16192585 CC(C)CC1CC(OC1=O)(C)C2=CSC(=N2)NNC(=O)C3=CC=CC=C3.Br Br- 1 3.315 3 3 -9.35648757804042 16192584 COC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)OC.Br Br- 1 3.654 2 2 7.64845864322112 16192583 C1C(C(=O)N(C1=O)C2=CC=CC=C2)S/C(=N/N=CC3=CC=CO3)/N 1 2.366 4 3 0 2.21870868194259 16192581 C1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3.Cl Cl- 1 3.89 2 2 -2.85756535772837 16192580 CC1=CC=C(C=C1)NC2=NC=NC3=CC=CC=C32.Cl Cl- 1 3.326 3 0 7.10933206259008 16192577 CC(=O)OC1C2CCC1C(CC2)[N+]3(CCCCC3)C.[I-] I- 1 1.155 1 2 0 -11.2969113408561 16192575 CN(C)CCCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3S2.Cl Cl- 1 3.545 2 1 -4.64615372752635 16192574 CCCCN1C2=CC=CC=C2N(C1=N)CC(=O)O.Br Br- 1 1.969 3 2 0 -7.09353050878865 16192572 CCN1C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)NC)CC)C.[I-] I- 1 1.857 3 2 0 -2.79174572702773 16192569 CCCCCCCC1=C(N=C(NC1=O)SCCN2CCOCC2)O.Cl Cl- 1 3.903 3 3 -15.4371104832173 16192568 CC(C)(C)C1=CC=C(C=C1)C2=C(C=CC=N2)O.Cl Cl- 1 3.784 1 1 9.69996329038116 16192567 CC1=NN(C(=C1)N)C2=CC=C(C=C2)C(=O)O.Cl Cl- 1 1.346 3 2 0 -3.13681575316594 16192566 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)C(=O)O)C(=O)OC.Cl Cl- 1 3.255 2 6 0 -3.24392448264961 16192565 CC\1=NN(C(=O)/C1=C/NN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CC=C5 1 2.016 4 3 0 -1.71569938729019 16192563 CC1CN(CC(O1)C)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O.Cl Cl- 1 3.14 1 4 2.34861886248944 16192561 CC1=CC(=N/C(=C/2\C=CC=CC2=O)/N1)N(C)N=CC3=CC=CC=C3 1 2.506 4 1 -7.82796490087204 16192558 CC[N+]1=C(N(C2=C1C=CC(=C2)S(=O)(=O)N(C)C)C)C.[I-] I- 1 1.714 3 2 0 -1.47937974294281 16192556 CC1=CC=CC2=NC(=C(N12)NCC3CCCO3)C4=CC(=C(C=C4)OC)O.Cl Cl- 1 3.248 3 3 0.119430011126662 16192555 CC1=NC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)Br)OC.Cl Cl- 1 2.72 2 3 -3.568232829223 16192553 C1=CC=C(C=C1)CCC2=C(C=CC=N2)O.Cl Cl- 1 2.875 1 1 2.6851333959089 16192552 C1=CC=C(C=C1)CC(=O)NN/C=C\2/C=CC3=CC=CC(=O)C3=N2 1 1.097 3 2 0 -7.55561831080615 16192551 CCN1C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)N(C)C)CC)C.[I-] I- 1 2.063 3 2 -2.31056012420288 16192549 CCOC(=O)C1=C(N(C2=C1C(=C(C(=C2)CN(C)C)O)S(=O)(=O)C3=CC=CC=C3)C)C.Cl Cl- 1 3.613 2 5 0 -7.20611795615434 16192547 CCC1=CC=CC=C1NC(=O)CNCC2=CC=CC=C2.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 2.946 2 1 -6.77064753544984 16192546 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)C.Cl.[Cl-] Cl- Cl- 1 1.472 4 0 0 -1.05658963826507 16192545 C[N+](C)(C/C=C/C1=CC=CC=C1)CC(=O)OCC#C.[Cl-] Cl- 1 1.915 1 2 0 -5.60376519463809 16192544 CC1=C(C(CCC1)(C)C)/C=C/C(=NNC(=O)C2=CC=NC=C2)C 1 3.298 3 1 1.74495922278214 16192543 CC1=C(OC2=CC=CC=C12)C(=O)OCC[N+]3(CCCCC3)C.[I-] I- 1 2.467 1 3 -0.809446626235536 16192542 CCOC(=O)C1=CSC(=N1)N.Cl Cl- 1 0.713 2 2 0 -3.81891868936384 16192541 CC1CC(=NOC2=CC=C(C=C2)[N+](=O)[O-])C(CN1C)C.Cl Cl- 1 2.688 3 3 -2.20596809941254 16192540 C1CC[N+](CC1)(CC#CC2=CC=CC=C2)CC#CC3=CC=CC=C3.[Br-] Br- 1 4.23 1 0 -0.379772123486906 16192539 C[N+](C)(CC=C)C(CC=C)C(=O)C1=CC=CC=C1.[Br-] Br- 1 1.911 1 1 0 -7.27564223299277 16192538 C1CCN2CCCC(C2C1)COC(=O)/C=C/C3=CC=CO3.Cl Cl- 1 3.188 1 3 0.999987284822957 16192537 CC(=NNC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C)/C=C/C3=CC=CC=C3 1 1.525 6 3 0 -12.1762736452043 16192536 CCCCN(C)CCC(=O)NC1=CC2=C(CCC2)C=C1.Cl Cl- 1 3.59 2 1 -10.2768434400128 16192535 C1CCC(CC1)NCC(=O)NCC2(CCCC2)C3=CC=CC=C3.Cl Cl- 1 3.74 2 1 -16.1164498210569 16192534 CC(C)C1=C/C(=C\NNC(=O)C)/C(=O)C(=C1)C=NNC(=O)C 1 -0.462 4 3 0 -5.52182065993517 16192533 CCCCCCC1=C(N=C(NC1=O)SCCN2CCOCC2)O.Cl Cl- 1 3.447 3 3 -15.4371104832173 16192532 CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CS3.Cl Cl- 1 5.103 2 3 0.856185006470761 16192531 CC(=N/N=C/1\C=CC=CC1=O)NNC2=NC3=CC=CC=C3S2 1 1.965 5 1 0 0.460234004991096 16192530 CC(=NNC1=N/C(=C/2\C=CC=CC2=O)/NC3=CC=CC=C31)C4=CC=CC=C4 1 3.621 4 1 -8.82094330076375 16192529 C1CN=C2N(C1)C3=CC=CC=C3N2CC(=O)O.Cl Cl- 1 0.727 3 2 0 -13.503879920208 16192528 COC1=C/C(=C/NNC(=O)CC(=O)NCCC2=CC=CC=C2)/C=CC1=O 1 0.323 3 4 0 -7.74965101630047 16192527 C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NN/C=C\4/C=CC(=O)C(=C4)[N+](=O)[O-] 1 2.364 3 4 0 -0.386931230010317 16192526 CC1=CC=C(C=C1)C2=C(C(=CC(=N2)CN3CCCCC3)CN4CCCCC4)O.Cl Cl- 1 5.067 3 1 6.05213331919221 16192525 COC1=C(C=C(C=C1)CN2CCC(CC2)(CC3=CC(=CC=C3)C(F)(F)F)CO)CN4C=CC=N4 1 4.835 3 2 10.3131099786804 16192524 C1CN(CCC1(CCOC2=CC=CC=C2)CO)CC3=CC4=C(C=C3)OCCO4 1 3.376 1 4 10.1121962937409 16192523 CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)C(=O)C3=CC4=C(C=C3)C=CN4 1 4.018 2 3 0.105140998199256 16192522 CC1=C(SC=C1)C(=O)N2CCCC(C2)CCC(=O)NCC3=CC(=C(C=C3)F)F 1 4.127 2 2 -22.0226909519317 16192521 COC1=CC=CC2=C1OCC(=C2)CN3CCN(C(C3)CCO)CC4=CC=CC=C4 1 3.144 2 3 11.52867104487 16192520 CN(CC1=CC=CC=C1)CC(COC2=CC=C(C=C2)CNCC3=CC=C(S3)Cl)O 1 4.345 2 2 8.01170339576272 16192519 CCOC(=O)C1(CCN(CC1)CC2=C(NN=C2)C3=CC(=CC=C3)F)CC4CCCCO4 1 4.04 3 3 -1.1257317565516 16192518 CC(C1=NC=CS1)N(C)C2=NC3=NON=C3N=C2NC4CC4 1 0.652 7 1 0 -19.0659431757398 16192517 COC1=CC=C(C=C1)CC2(CCN(CC2)CC3=CN(N=C3)C4=CC=CC=C4)CO 1 3.886 3 2 18.2848120222342 16192516 CC(C)N(CC1=CN(N=C1)C)C(=O)CC2C(=O)NCCN2CC3=CC(=CC=C3)OC 1 1.374 5 3 0 -32.3517525586054 16192515 C1CC(CN(C1)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)Cl)C4=CC=CC=C4 1 4.91 2 3 -5.99140784099187 16192514 C1CCC(C1)N2CCN(CC2CCO)CC(C3=CC=CC=C3)C4=CC=CC=C4 1 4.487 2 1 -4.49682613737877 16192513 C1CC(CN(C1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5)O 1 4.629 3 2 8.64439277714332 16192512 CC(C)N1C=C(C=N1)[C@@H]2C[C@H]3CN(C(=O)[C@@]34N2CCC4)CC5=CC(=CC=C5)Cl 1 3.299 4 1 4.47499083329057 16192511 C1C[C@@]23[C@@H](C[C@H](N2C1)C4=CC=C(C=C4)C5=CC=CC=C5)CN(C3=O)CC6=CN=CC=C6 1 3.626 3 1 8.41506370264936 16192510 C1CN(CCN1CC2=CC=CC=N2)CC3=NC(=NO3)CC4=CC=CC=C4Cl 1 2.791 5 1 -5.08167942210723 16192509 CC1=CC=C(O1)CN2CCN(C(C2)CCO)CC3=CC(=CC=C3)OC 1 2.307 2 3 3.30365606302921 16192508 CC1=C(N=C(S1)C)C(C)NC(=O)CCC2=NN=C(O2)CCCC3=CC=CC=C3 1 2.905 4 2 -20.7518235111628 16192507 C=CCC(=O)N1CCCC(C1)CCC(=O)NCC2=CC=CC=C2F 1 2.55 2 2 -27.412568038437 16192506 C1CN(CCC1OC2=CC=C(C=C2)C(=O)NCC3=NOC=C3)CCC4=CC=CC=C4 1 3.289 3 3 -9.22275825681804 16192505 C1CCC(C1)CCCNC(=O)CCC2=NN=C(O2)CCCC3=CC=CC=C3 1 4.338 3 2 -19.9550278165857 16192504 COC1=CC=CC=C1CN2C[C@@H]3C[C@H](N4[C@@]3(C2=O)CCC4)C5=CC=C(C=C5)Cl 1 3.906 2 2 6.21869723643262 16192503 C1CCON(C1)CCC(=O)N2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)F 1 2.161 2 3 -10.3313270251895 16192502 CCN(CC)CCN(C)C(=O)C1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3CC3 1 2.192 3 3 -15.9695937965261 16192501 CC1=C(C(=NN1C)C)C(C)NC(=O)CCC2=NN=C(O2)CCC3=CC(=CC=C3)OC 1 2.327 5 3 0 -24.6075361043687 16192500 CN1C=CN=C1CN(C)C(=O)CCC2=NN=C(O2)CCC3CCCCC3 1 2.053 5 2 0 -19.025366600858 16192499 CC1=C(C=CN=C1)CN(C)C(=O)CCC2=NN=C(O2)CCC3=CC=CC=C3OC 1 2.413 4 3 0 -26.4664747074425 16192498 CC(=O)C1=CC(=CC=C1)NC(=O)N2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)F 1 3.314 2 3 -4.5483113736605 16192497 CC1=CC=C(O1)CN2CCCC(C2)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 4.184 1 2 9.53119090690172 16192496 CC1=CC=CN2C1=NC(=C2CN(C)C3CCCC4=CC=CC=C34)C(=O)N5CCOCC5 1 3.474 4 2 -15.9987659113263 16192495 C1[C@@H]2CC3C[C@H]1CC(C2)N(C3)CC4=C(NN=C4)C5=CC6=C(C=C5)OCO6 1 3.823 3 2 -5.70487819837184e-002 16192494 CCN1C=C(C=N1)CNCC2=CC=C(C=C2)OCC(CN(C)CC3=CC=CC=C3)O 1 3.144 4 2 -1.53871560652551 16192493 CC(C)N1CCC(CC1)N2CCN(CC2CCO)CCCC3=CC=CC=C3 1 3.027 3 1 1.18880463797627 16192492 CCN(CC1=CC=NC=C1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F 1 3.128 4 1 4.15541475562775 16192491 CCOC(=O)C1(CCN(CC1)C(=O)C2=NC=CN=C2)CC3=CC(=CC=C3)F 1 2.158 3 3 -1.74099460851904 16192490 COC1=CC=CC(=C1)CN2CCNC(=O)C2CC(=O)N3CCCC3(CC=C)CC=C 1 2.636 3 3 -30.6391837166739 16192489 CC1=NC=CN1CCC2CCCCN2C(=O)CCC3=NN=C(O3)C4=CSC=C4 1 1.692 5 2 0 -18.4461082781639 16192488 COC1=CC(=C(C=C1)C2=NN(C=C2CNCCN3CCOC3=O)C4=CC=CC=C4)F 1 3.59 4 3 0 5.10970827618311 16192487 CN1C=C(C=N1)CN(C)C(=O)C2=NOC(=C2)COC3=C(C=CC=C3F)F 1 2.416 4 3 0 -13.8467711383775 16192486 CC(C)CCN1CCN(CC1CCO)CC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.665 2 1 -5.74048844198037 16192485 CCCN1C(=C(C=N1)[C@@H]2C[C@H]3CN(C(=O)[C@@]34N2CCC4)CC5=CC(=CC=C5)Cl)C 1 3.591 4 1 3.45508985374389 16192484 CC1=CC=CC=C1CNC(=O)CC2C(=O)NCCN2CC3=C(C=CC=C3Cl)F 1 3.164 3 2 -40.2411248282867 16192483 CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)CN(C)CC4=NC=CN4C 1 4.919 5 0 22.0985795889079 16192482 CCN1C=C(C(=N1)C)[C@@H]2C[C@H]3CN(C(=O)[C@@]34N2CCC4)CC5=CC(=CC=C5)Cl 1 3.204 4 1 2.79124000508258 16192481 CC(C)N1CCC(CC1)N2CCN(CC2CCO)C3CCCCC3 1 2.524 3 1 3.57500137576261e-002 16192480 CC1=CN=C(N1)CN2CCC3=C(C2C4CCCCC4)NC5=CC=CC=C35 1 4.483 4 0 -7.05157335756281 16192479 CCN1CC(CC1=O)CN(C)CC2=CN(N=C2C3=CC(=CC=C3)C)C4=CC=C(C=C4)C 1 4.69 4 1 20.3255368905522 16192478 CSC1=CC=C(C=C1)CN2CCCC(C2)(CC3=CC=CC=C3)CO 1 4.353 1 1 18.3159213671118 16192477 CN1C=C(C=N1)CCN(C)C(=O)CCC2=NN=C(O2)CCCC3=CC=CC=C3 1 2.521 5 2 0 -16.8738293942427 16192476 CC1=NC(=CC=C1)N2CCN(CC2)CC3=C(OC(=N3)C4=CC(=CC=C4)Cl)C 1 4.051 4 1 23.0325789077571 16192475 CCC1=NOC(=C1C(=O)N2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)F)C 1 3.215 2 3 -11.5339279928407 16192474 CCCOC1CCCN(C1)CC2=CN(N=C2C3=CC=CC=C3F)C 1 3.937 3 1 10.0484992926546 16192473 CCOC(=O)C1(CCN(CC1)C(=O)C2=NNC(=O)CC2)CC3=CC=C(C=C3)Cl 1 2.181 3 4 0 -10.3872289408257 16192472 CCOC(=O)C1(CCN(CC1)C(=O)C2=CN=C(C=N2)C)CC3=CC(=CC=C3)F 1 2.441 3 3 -4.10290114250257 16192471 CCCN1C(=C(C=N1)CN2CCCC(C2)C(=O)C3=CC(=CC=C3)OC)C 1 3.566 3 2 3.84222015397263 16192470 COC1=CC=CC=C1/C=C/CN2CCC(CC2)(CC3=CC=CC=C3)CO 1 4.127 1 2 13.5594991013509 16192469 C1CN(C(C(=O)N1)CC(=O)NCCC2=NC=CN=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4 1 1.531 5 3 0 -36.128817510121 16192468 CC(C)CCN1CCN(CC1CCO)CC2=C(C=CC=C2Cl)F 1 3.862 2 1 -2.75058084027134 16192467 CC(C)N(CC1=C(NN=C1)C2=C(C=C(C=C2)OC)F)CC3=NC=CN3C 1 2.942 5 1 3.49716089495566 16192466 CC(C)N(CCO)C(=O)CCC1=NN=C(O1)CCCC2=CC=CC=C2 1 2.153 3 3 -16.2996018218161 16192465 C1=CC(=CC(=C1)C(F)(F)F)CC2=NN=C(O2)CCC(=O)NCC(F)(F)F 1 2.798 3 2 -23.0563265414077 16192464 COC1=CC(=C(C=C1)OC)CC2=NN=C(O2)CCC(=O)NC(C3CC3)C4CC4 1 2.484 3 4 0 -26.2024293914507 16192463 CC1=C(SC=C1)CN(C)C(=O)CCC2=NN=C(O2)COC3=CC=CC=C3 1 2.664 3 3 -18.7166947676452 16192462 C1CCC(CC1)C2=NN=C(O2)CCC(=O)N3CCC(CC3)OC4=CN=CC=C4 1 1.935 4 3 0 -17.0718832711654 16192461 CCN(CCN1C=CC=N1)C(=O)CCC2=NN=C(O2)C3(CCC3)C4=CC=C(C=C4)Cl 1 3.329 5 2 0 -29.4490470655542 16192460 CSC1=CC=CC(=C1)CN2CCCC(C2)(CC3=CC(=CC=C3)Cl)CO 1 5.017 1 1 20.5305038688524 16192459 COC1=CC(=C(C=C1)OC)CC2=NN=C(O2)CCC(=O)NC3C4CC5CC(C4)CC3C5 1 3.072 3 4 0 -19.1518111178664 16192458 CC(C)CCNC(=O)CCC1=NN=C(O1)COC2=CC=CC=C2 1 2.229 3 3 -26.1813824720708 16192457 COC(C1=CC=CC=C1)C2=NN=C(O2)CCC(=O)NCCCC3=CC=CC=C3 1 2.965 3 3 -35.5482567212489 16192456 CC1=CC=C(O1)C2=NC(=C(O2)C)CN3CCCCC3C4=CC(=CC=C4)OC 1 4.14 2 3 16.7326718379178 16192455 C1CC1C(C2CC2)NC(=O)CCC3=NN=C(O3)CC4=CNC5=CC=CC=C54 1 2.81 4 2 -25.7622242009326 16192454 CC(C)C1=CSC(=N1)CN2CCC(CC2)(CC3=CC=CC=C3)CO 1 3.737 2 1 12.7650178326437 16192453 CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)C(=O)C3=CSN=N3 1 2.938 3 3 -13.085623137424 16192452 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CN(C)C(=O)C1=C(N2C=C(C=CC2=N1)Cl)CN3CCN(CC3)C4=NC=CC=N4 1 1.117 7 1 0 -7.0179029704626 16192006 C1C[C@@]23[C@@H](C[C@H](N2C1)C4=CC5=NON=C5C=C4)CN(C3=O)CC6=CN=CC=C6 1 1.678 5 2 0 5.97795329549533 16192005 COC1=CC=CC(=C1OC)CN2CCNC(=O)C2CC(=O)NCCOC3=CN=CC=C3 1 0.674 4 5 0 -38.1235694486609 16192004 CC(C)CN1CCN(CC1CCO)CC2=NC3=CC=CC=C3S2 1 2.881 3 1 1.29536249491157 16192003 CC(C)N1CCN(CC1CCO)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC 1 3.689 2 3 -4.46036854416437 16192002 CC(C)CCN1CCN(CC1CCO)CC#CC2=CC=CC=C2 1 3.583 2 1 3.96241169256422 16192001 CC1=NC(=CC=C1)CN2CCN(C(C2)CCO)C3CCCC3 1 2.161 3 1 0.35955318172932 16192000 CC(C)(C#CC1=CC=C(S1)CN2CCN(C(C2)CCO)CCC3=CC=CC=C3)O 1 3.917 2 2 3.40949527665991 16191999 CC(=O)NCCC(=O)N1CCCC(C1)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 1.818 3 3 0 -14.0273978291001 16191998 CC(C)CN1CCN(CC1CCO)C/C=C/C2=CC=C(C=C2)OC 1 3.055 2 2 3.70820085818207 16191997 C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC(=CC=C4)O)CC5=COC=C5 1 4.513 2 2 -11.4558309183028 16191996 CC1=CC(=NC(=N1)CCNCC2=C(N=C3N2C=CC=C3)C(=O)N4CCCC4)C(F)(F)F 1 2.221 6 1 0 -14.7265603818907 16191995 C=CCN(CC#C)C(=O)CCC1=NN=C(O1)COC2=CC=CC=C2 1 2.663 3 3 -31.4538576338057 16191994 CN(CCC1=CC=CC=C1)C(=O)CCC2=NN=C(O2)C(C3=CC=CC=C3)OC 1 2.715 3 3 -30.2328470774839 16191993 CC1=NN(C(=C1CN2CCN(C(C2)CCO)CC=C(C)C)Cl)C 1 2.269 4 1 -2.57647202834983 16191992 CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CNCC4=CN=C5N4C=CC=C5 1 4.063 5 1 10.7610851665126 16191991 C1CC(CN(C1)C2CCSCC2)C(=O)C3=CC=C(C=C3)Cl 1 3.581 1 1 9.94049013886906 16191990 COC1=CC(=C(C=C1)C2=C(C=NN2)CN3CCC(CC3)OCC4=CC=CC=C4)F 1 3.771 3 2 5.62281946480195 16191989 CCOC(=O)C1(CCN(CC1)CC2=CC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4 1 4.098 2 3 2.50731908788079 16191988 CC1=CC=CC(=N1)C2C3=C(CCN2C(=O)C4=CC5=C(CCCC5)NC4=O)C6=CC=CC=C6N3 1 3.927 4 2 -18.9198510374861 16191987 CN(CC1=CN=CC=C1)C(=O)CC2C(=O)NCCN2CC3=CC(=CC(=C3)OC)OC 1 0.831 4 4 0 -36.4708385192163 16191986 CC1=C(N=C(O1)C2=C(C(=CC=C2)F)F)CN3CCN(C(=O)C3)CC4=CC(=CC=C4)OC 1 3.149 3 3 6.74425555458692 16191985 CCC1=NOC(=C1)CNC(=O)CC2C(=O)NCCN2CC3CCCCC3 1 1.895 4 3 0 -43.9907295105913 16191984 C1CC(CN(C1)C(=O)NCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4 1 2.938 2 4 -6.81847005727199 16191983 COC(C1=CC=CC=C1)C2=NN=C(O2)CCC(=O)NC3C4CC5CC(C4)CC3C5 1 2.861 3 3 -28.2972612308705 16191982 CN1C=CN=C1SCCNC(=O)CC2C(=O)NCCN2CC3=CC(=C(C=C3)OC)OC 1 1.017 5 4 0 -39.7502096995191 16191981 C1CC(C1)NC(=O)CC2C(=O)NCCN2CC3=CC=C(C=C3)C4=CC=CC=C4 1 2.689 3 2 -28.8828864721488 16191980 CCOC(=O)C1(CCN(CC1)C(=O)CCC2=CN(N=C2)C)CCCC3=CC=CC=C3 1 3.878 3 3 -2.44594863317144 16191979 C1CN(CCC1(CCCC2=CC=CC=C2)CO)CC3=CC=C(C=C3)F 1 4.794 1 1 14.1974013771368 16191978 CCN(CCN1C=CC=N1)CC2=C(N=C3N2C=C(C=C3)Cl)C(=O)N4CCCCCCC4 1 3.843 6 1 0 -15.6726035070878 16191977 CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCCN(C2)CC3=CN=C(N=C3)SC 1 4.599 3 1 12.2632510753919 16191976 C=CCNC(=O)CCC1=NN=C(O1)C2(CCC2)C3=CC=C(C=C3)Cl 1 3.093 3 2 -27.7082861776716 16191975 CC1=C(C=CC=N1)C(=O)N2CCCC(C2)CNC(=O)C3(CC3)C4=CC=C(C=C4)Cl 1 2.995 3 2 -14.3637718829053 16191974 COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)CC3=CC=C(C=C3)C#CCCO)F 1 4.411 1 3 12.0244182228931 16191973 CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)O)CCC3=CC=CC=C3 1 4.699 1 3 10.4437237342224 16191972 CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=CC(=C(C(=C3)OC)O)OC 1 4.079 1 4 1.02317534673165 16191971 CC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=CC(=C(C=C3)O)OC 1 3.223 2 3 5.54885386325805 16191970 COC1=CC=CC(=C1)CN2CCN(CC2CCO)CC3=CC=C(C=C3)O 1 2.737 2 3 6.08729860488308 16191969 CS(=O)(=O)N1CCC(CC1)OC2=CC=CC=C2C(=O)N3CCN(CC3)CC4CC4 1 1.166 3 4 0 -19.6456039276852 16191968 CCC1C(=O)NCCN1C(=O)C2=CC=CC=C2OC3CCN(CC3)S(=O)(=O)C 1 0.275 3 5 0 -38.0846281391623 16191967 CCN1CC(CC1=O)CN(C)CC2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F 1 2.07 4 2 8.14409524253056 16191966 CCOC(=O)C1(CCN(CC1)CC2=CN(C3=CC=CC=C32)C)CC4CC4 1 4.288 2 2 1.28016002576253 16191965 CC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=CC4=C(C=C3)N=CC=C4 1 3.668 3 1 5.33963736078503 16191964 CSC1=CC=CC(=C1)CN2CCN(C(C2)CCO)CC3=CC=CC=C3 1 3.537 2 1 6.13631597201385 16191963 CC1=CC=CC=C1C2=NN(C=C2CNCC(C)O)C3=C(C=C(C=C3)F)F 1 4.276 3 1 12.7046716839613 16191962 C=CCNC(=O)N1CCC(CC1)(CC2=CC=C(C=C2)Cl)CO 1 2.629 2 2 0.396459967580064 16191961 CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CN4CCCC(C4)CO 1 4.077 3 2 15.9107262146373 16191960 CC(C)N(CC1=NC=CN1C)C(=O)CC2C(=O)NCCN2CC3=CC(=CC(=C3)OC)OC 1 0.994 5 4 0 -35.1302617611933 16191959 CCOC(=O)C1(CCN(CC1)C(=O)C2=C(N=C(S2)C)C)CC3=CC=C(C=C3)OC 1 3.099 2 4 -1.70356064395628 16191958 CCN(CCN1C=CC=N1)CC2=C(N=C3N2C=C(C=C3)Cl)C(=O)N4C[C@H](O[C@H](C4)C)C 1 2.456 6 2 0 -20.9584167479276 16191957 CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)CN3CCN(CC3)CCOC 1 2.991 4 1 14.7466557271466 16191956 CC1=NC(=CC=C1)N2CCN(CC2)C3=NC4=NON=C4N=C3N5CCSCC5 1 1.385 8 1 0 -8.86453429772488 16191955 CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNCCC4=CSC=N4 1 4.735 4 0 18.4968880731209 16191954 CC1=CC=C(O1)CN2CCN(CC2CCO)CC3=CC(=CC=C3)OCCO 1 1.767 2 4 0 1.8362615371169 16191953 CC1=CC=CC=C1CC2(CCCN(C2)C(=O)C3=CC=CC=C3Cl)CO 1 4.302 1 2 3.09531270358309 16191952 C1CC1C(C2CC2)NC(=O)CCC3=NN=C(O3)CCCC4=CC=CC=C4 1 3.429 3 2 -21.5165303652847 16191951 CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2C3=CC=CO3)CC4CCCCO4 1 4.495 1 4 -1.19585552563959 16191950 CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)CC3=CN=C(N=C3)SC 1 3.74 3 1 11.8921553154972 16191949 CC1=NC(=CC=C1)CC(C)NC(=O)CCC2=NN=C(O2)C3=CC=CC=C3 1 2.369 4 2 -20.3862668898246 16191948 CCOC(=O)CCNC(=O)N1CCCC(C1)C(=O)C2=CC=CC=C2SC 1 2.432 2 4 -20.5233687201192 16191947 CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)C3=C(N=CC=C3)SC 1 3.727 2 2 -6.08684645642647 16191946 CCCS(=O)(=O)N1CCC(CC1)(CC2=CC=C(C=C2)OC)C(=O)OCC 1 2.808 1 5 -13.4394488430225 16191945 CCOC1=CC=C(C=C1)C2C3=C(CCN2C(=O)CN4C=NC=N4)C5=CC=CC=C5N3 1 3.142 5 2 0 -23.3771055183762 16191944 C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC(=CC=C4)O)CC5=CC6=C(C=C5)OCC6 1 5.468 2 2 -6.51409417530443 16191943 C1CN(CCC1(CCC2=CC=CC=C2)CO)CC3=CN(N=C3)C4=CC=C(C=C4)F 1 4.564 3 1 19.4180635092058 16191942 CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C=C2)OC)O)CC3=CC(=CC=C3)OC 1 4.21 1 5 11.3621298810354 16191941 CC(=O)C1=CC(=CC=C1)CN2CCN(C(C2)CCO)CC3=CC=C(C=C3)F 1 2.941 2 2 1.73744095186062 16191940 CC1=CC=CC=C1CC2(CCCN(C2)CC3=CC=C(O3)COC)CO 1 3.361 1 3 11.5260814958871 16191939 CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)CN3CCC(C3)COC 1 3.133 3 1 17.0769935691349 16191938 COC(=O)[C@@H]1CCCN1C(=O)CCC2=NN=C(O2)CCC3=CNC4=CC=CC=C43 1 2.107 4 4 0 -23.6701049532492 16191937 CC1=CC=C(O1)CN2CCN(CC2CCO)CC3=C(NN=C3)C4=CC=CC=C4 1 2.577 4 2 1.22210474795334 16191936 CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)CN(C)CC4=NC=CN4C 1 4.638 5 0 24.5421552173362 16191935 C1CN(C(C(=O)N1)CC(=O)NCCN2C=CC=N2)CC3=CC(=CC=C3)OC4=CC=CC=C4 1 2.084 5 3 0 -34.5723769449404 16191934 CS(=O)(=O)N1CCC(CC1)OC2=CC=CC=C2C(=O)N3CCCCC3CO 1 0.795 2 5 0 -21.9180829258444 16191933 CN(C1CCOC1)C(=O)C2=CC=CC=C2OC3CCN(CC3)S(=O)(=O)C 1 0.167 2 5 0 -22.4920020799431 16191932 CC(C)CCN1CCN(CC1CCO)C2CCN(CC2)C3=CC=CC=C3 1 3.192 3 1 4.64069732108193 16191931 C1CN(CCC1(CCC2=CC=CC=C2)CO)CC3=C(C=CC(=C3)F)N4C=CC=N4 1 4.564 3 1 12.681097892448 16191930 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C1CC(CN(C1)CC2=CC3=NSN=C3C=C2)C(=O)C4=CC5=C(C=C4)OCO5 1 3.811 3 3 8.5118078033872 16189828 CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)C(=O)CCN3C=NN=N3 1 1.375 5 3 0 -22.6626836192851 16189827 C[C@H]1C(=O)N(CCN1CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C)C 1 3.629 4 2 3.58898142161427 16189826 CN1C=CN=C1C2CCCCN2CC3=NC(=NO3)CC4=CC=CC=C4F 1 2.649 5 1 -1.70348635932415 16189825 CN(CC1=NC(=NO1)C2=CC=C(C=C2)OC)C3CCOCC3 1 1.311 3 3 0 1.4409191858897 16189824 CC1=CC(=CC(=N1)C)N2CCN(CC2)CC3=CN(N=C3C4=CC(=CC=C4)Cl)C 1 4.208 5 0 19.3303729282579 16189823 COCC1CCN(CC1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5 1 5.098 3 2 8.30898342837994 16189822 CC(C)CN1CCN(CC1CCO)CC2=CN(N=C2)C3=CC=CC=C3OC 1 2.814 4 2 0.730201182850155 16189821 CC1=C(C(=NN1)C)CCN(C)CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C 1 3.063 5 2 0 10.5136233971424 16189820 CCN1CC(CC1=O)CN(C)CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=C(C=C4)C 1 4.409 4 1 18.5494174767315 16189819 COC1=C(C=C(C=C1)CC2=NOC(=N2)CN3CCC[C@H]3C(=O)OC)OC 1 1.792 3 5 0 -13.8186123981913 16189818 COCC1CCCCN1CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 1 4.66 3 3 10.6918785330104 16189817 CCOC(=O)N1CCN(CC1)CC2=C(NN=C2)C3=CC4=CC=CC=C4O3 1 2.961 4 3 0 3.12034255182665 16189816 CCOC(=O)C1CCN(CC1)CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C 1 4.736 3 3 8.9148193050483 16189815 C1COC(=O)N1CCNCC2=CN(N=C2C3=CC=CC=C3Cl)C4=CC=C(C=C4)F 1 4.271 4 2 7.78382347825613 16189814 CC(C)/C=C/C(=O)N1CCC(CC1)N2CCC(CC2)C(=O)N3CCOCC3 1 1.072 3 3 0 -9.90784499951206 16189813 CC(C)N(CC1CCC(=O)N1)CC2=NC(=NO2)C3=CC4=C(C=C3)OCO4 1 1.457 4 4 0 -3.09116210899571 16189812 CC(C)CCN1CCN(CC1CCO)CC2=CN=C(N=C2)SC 1 2.277 4 1 3.13761330352296 16189811 CCN1C=C(C2=CC=CC=C21)CN3CCN(C(C3)CCO)CC4=CC=C(O4)C 1 3.171 3 2 0.36843388902354 16189810 C1CN(CCN(C1)C2CC3=CC=CC=C3C2)CC4=NC(=NO4)CC5=CC=CC=C5 1 3.549 4 1 1.00344982052037 16189809 CC(C)C1=NOC(=C1)C(=O)N2CCCC(C2)C(=O)C3=CC=CC=C3OC 1 3.396 2 4 -12.3992643439079 16189808 CC1=CC(=CC(=C1OC)C)C(=O)C2CCCN(C2)C(=O)C3=CC4=C(C=C3)NC=C4 1 4.504 2 3 -1.28218602726169 16189807 CC1=NN(C(=C1CN2CCN(C(C2)CCO)C3CCCC3)Cl)C 1 2.206 4 1 1.55577134169567 16189806 CC1=CC=CC=C1N2C=C(C=N2)CNC(=O)CCC3=NN=C(O3)CCC4=CC=CC=C4 1 3.6 5 2 0 -22.0763531973835 16189805 CSC1=NC=C(C=N1)CN2CCCC(C2)C(=O)C3=CC(=CC=C3)Cl 1 3.863 3 1 11.6760319924309 16189804 CC1=CC=C(O1)CN2CCNC(=O)C2CC(=O)NCCCN3C=CC=N3 1 -8.7e-002 5 3 0 -39.7399544631385 16189803 CN(CC1=CC=C(C=C1)F)CC2=NC(=NO2)CCC3=CC=CC=C3 1 3.766 3 1 -2.54790401452655 16189802 CC(C)CN1CCN(CC1CCO)CC2=CC=CC3=C2N=CC=C3 1 2.79 3 1 -0.527450374389351 16189801 CCC(COC)NCC1=CN(N=C1C2=CC(=CC=C2)F)C3=CC=C(C=C3)OC 1 4.5 3 2 18.7813216086625 16189800 CC1=NN(C=C1)CC(=O)N2CCCC(C2)C(=O)C3=CC(=C(C(=C3)C)OC)C 1 2.995 3 3 -12.6157467499161 16189799 CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CN(C)CC4=CN=CC=C4 1 4.493 4 1 14.7302021463808 16189798 C1CN(C(C(=O)N1)CC(=O)NCCN2C=CC=N2)CC3=CC=CC=C3C(F)(F)F 1 1.466 5 2 0 -37.2407852789025 16189797 COCC1CCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)OC 1 1.889 3 3 0 6.37273700041837 16189796 COC1=CC=C(C=C1)C\2=NN(C(=O)/C2=C/NCC3CCCO3)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.432 4 5 0 -12.4597354213875 16189795 CCOC1=CC=CC=C1CN2CCN(CC2CCO)C3CCOCC3 1 1.586 2 3 0 -0.450484587464364 16189794 CC(C)CCN1CCN(CC1CCO)CC2=CC3=C(C(=CC=C3)OC)OC2 1 3.141 2 3 8.97966250320156 16189793 COCC1CCN(C1)CC2=NC(=NO2)C3=CC4=C(C=C3)OCO4 1 1.223 3 4 0 6.57216555179655 16189792 CC(C1=CC=CC=C1OC)N(C)CC2=NC(=NO2)COC3=CC=CC=C3 1 3.266 3 3 -10.6899702625616 16189791 C1CCC(CC1)C2=C(C=NN2)CN3CCN(C(C3)CCO)C4CCCC4 1 3.53 4 1 0.622736247199668 16189790 CC1=CC=C(O1)CN2CCN(CC2CCO)CC3=C(N(N=C3C)C4=CC=C(C=C4)F)C 1 3.183 4 2 2.68331712735118 16189789 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)CCC(=O)NCCC4=CC=CC=N4 1 3.228 4 2 -17.3928268220847 16189788 C1CN(CCN1CC2=NC(=NO2)CC3=CC=CC=C3)C(=O)C4=CC=CO4 1 1.798 4 3 0 -8.5452020055755 16189787 COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C(=O)C3=CC=CS3)F 1 3.397 1 3 -6.95885808158771 16189786 C1CCC(C1)N2CCN(CC2CCO)C3CCSCC3 1 1.817 2 1 0 3.28567304168082 16189785 CN(CCC1=CC=CC=N1)C(=O)CCC2CCCN(C2)C(=O)C3=CC=CC=N3 1 2.073 4 2 -18.8271872581178 16189784 CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)/C=C/C3=CN(N=C3)C 1 3.773 3 2 -1.74593653926991 16189783 CC1=NC=C(C=C1)C(=O)N2CCCC(C2)CCC(=O)NCC3=CC(=CC=C3)OC 1 2.392 3 3 -23.7137943943984 16189782 CCC(CNC(=O)CCC1=NN=C(O1)C2(CCC2)C3=CC=C(C=C3)Cl)O 1 2.838 3 3 -25.4699927400411 16189781 CC(C)CCN1CCN(CC1CCO)CC2=CN=C(S2)C3=CC=CC=C3 1 3.451 3 1 8.41916281982456 16189780 CC1=NON=C1N2CCN(CC2)CC3=CN(N=C3C4=CC=CC=C4F)C 1 2.341 6 1 0 8.46933505463355 16189779 COC1=CC(=C(C=C1)C2=NN(C=C2CNCC3=CN=CC=C3)C4=CC=CC=C4)F 1 4.163 4 1 14.0805347090794 16189778 COC1=CC=CC(=C1)C(=O)C2CCCN(C2)C/C=C/C3=CC=CC=C3OC 1 4.349 1 3 7.64801511918096 16189777 C1CC(CN(C1)CC2=NC(=NO2)CC3=CC(=CC=C3)C(F)(F)F)OCC4=CC=CC=N4 1 3.47 4 2 1.20008957825978 16189776 CC1=NC(=CS1)CN(C)C(=O)C2=NOC(=C2)COC3=C(C=CC=C3F)F 1 2.697 3 3 -15.9052899317739 16189775 CC1=NC=C(S1)CN2CCN(C(C2)CCO)C3CCCC3 1 1.609 3 1 0 3.62873438768953 16189774 CC1=NON=C1C2CCCN2CC3=C(NN=C3)C4=C(C=C(C=C4)OC)F 1 2.828 5 2 0 -6.84943760654175 16189773 COC1=CC(=CC2=C1OCO2)CN3CCC(CC3)N4CCC(CC4)C(=O)N5CCCC5 1 2.113 3 4 0 -1.31017521808374 16189772 CC1=C(C=CC(=C1C)OC)CN2CCN(CC2CCO)C3CCSCC3 1 2.954 2 2 8.40056024409992 16189771 CC1=C(N=CC=C1)CN2CCN(CC2)C(=O)CCC3=NN=C(O3)CCC4=CC=CC=C4 1 2.601 5 2 0 -12.1635600481544 16189770 CCCCNC(=O)N1CCN(CC1)C2=NC=CC=N2 1 0.656 5 1 0 -8.0223842972083 16189769 C[N+]1(CCCC1)CC(=O)OCCCC2CCCCC2.[I-] I- 1 2.167 1 2 -7.49539392313853 16189768 C1OC2=C(O1)C=C(C=C2)N/N=C/3\C(=NN4C3=NC(=CC4=O)C5=CC=CC=C5)N 1 1.914 6 3 0 -6.58158204923983 16189766 CC1=CC=C(C=C1)N/N=C/2\C(=NN3C2=NC(=C(C3=N)C#N)C)N 1 1.292 8 0 0 -7.35275743948564 16189765 CCCNC(=O)N1CCN(CC1)CC2=CC=CO2 1 1.17 3 2 0 -8.50278868187514 16189763 CCCCNC(=O)N1CCN(CC1)C2=CC=CC=C2OCC 1 2.866 3 2 -10.5383637984392 16189762 CC1=CC(=C(C=C1)C)C(C)NC(=O)CC#N 1 2.366 2 1 -13.513249844008 16189761 C1=CC2=C(C(=C1)S(=O)(=O)NCCC3=CC=C(C=C3)F)N=CC=C2 1 3.037 2 2 -7.11739847252981 16189760 CC1=CC=CC=C1N=C2C(C(=O)C3=CC=CC=C32)[N+](=O)[O-] 1 3.645 2 3 0.669309342534318 16189758 CCCCCCCCN1C2=C(CCC2)C(=N)C3=CC=CC=C31.Br Br- 1 5.887 2 0 -5.43310470769383 16189757 CCCC(C1=NN=NN1CS(=O)(=O)C2=CC=C(C=C2)C)N3CCN(CC3)CC.Cl Cl- 1 2.82 6 2 0 -22.1248669028672 16189755 COC1=C(C=CC(=C1)CNCCNC(=O)C2=NON=C2N)OCC3=CN=C(C=C3)Cl.Cl Cl- 1 1.523 6 4 0 -18.0257224569156 16189754 CN(C)CCNCC1=CC(=C(C=C1Br)OC2CCCC2)OC.Cl Cl- 1 3.624 2 2 4.79431167438349e-002 16189752 C1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=O)C3=CC=CO3.Cl Cl- 1 2.87 2 2 -8.06597369982396 16189749 CCCC[N+]1=C(SC2=C1C=CC(=C2)OC)C.[I-] I- 1 3.923 1 1 0.619742015017217 16189748 C1=CC(=CC=C1C(CN/C=C/2\C=CC(=O)C=C2O)O)[N+](=O)[O-] 1 0.674 2 5 0 -3.7087198092516 16189746 CC(C(C)(C)C)NC(=O)NC1=C(C=CC(=C1)Cl)OC 1 3.437 2 2 -10.0694157622099 16189745 CC1=C(C(=N)N2C(=N1)/C(=N/NC3=CC=CC=C3F)/C(=N2)N)C#N 1 1.011 8 0 0 -6.9093151775316 16189744 CC1=CC(=C(C=C1)C)NC(=O)NCC2=CC=C(C=C2)OC 1 3.485 2 2 -7.81189413840531 16189742 CCCC(C1=NN=NN1CC2=CC=CS2)N3CCN(CC3)C.Cl Cl- 1 2.152 6 0 -18.1252521107826 16189741 CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC(=C(C=C2)Br)C.Cl Cl- 1 2.648 3 3 -5.31478065481 16189740 CC1(C2CCC1(C(=O)N(C2=O)CCCN3CCN(CC3)CC4=CC=CC=C4)C)C.Cl Cl- 1 3.04 3 2 -4.06503386441868 16189739 CCC(C1=NN=NN1C(C)(C)C)N2CCN(CC2)CC3=CC=CC=C3OC.Cl Cl- 1 2.87 6 1 0 -13.1836414049076 16189738 CCCC(C1=NN=NN1CC2=CC=CO2)N3CCN(CC3)C4=CC=CC=C4.Cl Cl- 1 3.266 6 1 0 -16.1999630402422 16189735 CCC(C)OC(=O)C[N+](C)(C)CCOC1CC2CCC1(C2(C)C)C.[Cl-] Cl- 1 2.124 1 3 -7.20800382829301 16189734 COC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)C3=CC=CC=C3OC.Cl Cl- 1 3.42 2 3 2.5361481845843 16189733 CC[N+]1=C(N(C2=C1C=C(C=C2)C(=O)OC)C3=CC=CC=C3)C.[I-] I- 1 4.029 2 2 1.15128438402944 16189732 CC\1=NN(C(=O)/C1=C/NC2CCCCCC2)C3=CC=CC=C3 1 2.836 3 1 -1.46923103779359 16189731 CC1=CC(=CC=C1)OCC(CN2C=NC3=CC=CC=C32)OC(=O)C.Cl Cl- 1 3.538 2 3 0.726044149840389 16189730 CC(=O)OC(CN1C=NC2=CC=CC=C21)COC3=CC=C(C=C3)OC.Cl Cl- 1 3.035 2 4 -0.826647193117324 16189729 C1CCC2=C(C1)C(=O)N3C(=N2)C(=NNC4=CC=C(C=C4)S(=O)(=O)N)C(=O)N3 1 0.617 6 4 0 -14.7232169723214 16189728 C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)/C(=N/NC4=CC=C(C=C4)S(=O)(=O)N)/C(=N3)N 1 0.852 7 3 0 -9.41221213154204 16189727 CC1=C(C=C(C=C1)NC(=O)CC(=NNC(=O)CC2=CN=C(S2)N)C)Cl 1 1.682 5 2 0 -4.86869496305042 16189724 COC1=C/C(=C\NNC2=NC3=CC=CC=C3N2)/C(=O)C=C1 1 0.88 4 2 0 2.00371619946458 16189723 CC1=CC=C(S1)CNCCNCCO.Cl Cl- 1 0.316 2 1 0 5.36944449992682 16189722 CC1=CC=CC=C1OCC(CN2CCN(CC2)C)O.Cl Cl- 1 1.885 2 2 0 -1.81731405706265 16189721 C1COCCN1CCCNCC2=CC=C(O2)C3=CC(=CC=C3)Cl.Cl Cl- 1 2.912 2 2 8.84292617357926 16189720 C1CC(OC1)CN2C(/C(=C(\C3=CC=C(C=C3)F)/O)/C(=O)C2=O)C4=CC=CO4 1 2.228 1 5 -11.6610033904669 16189719 CCN(CC)CCN1C2=CC=CC=C2N=C1NCC3=CC4=C(C=C3)OCO4.Cl Cl- 1 3.617 4 2 -5.97436097304413 16189718 CCN1CCCC1CNCC2=CC(=C(C(=C2)Cl)OC)OCC.Cl Cl- 1 3.325 2 2 -6.67159035155413 16189717 COC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)C3=CC=CC=C3F.Cl Cl- 1 3.642 2 2 5.13455080580712 16189660 CC1CC(=CC([C@@H]1C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)C)NC2=O)C)C 1 4.346 4 2 -5.14932031856457 16189661 CC1=C(C(=NN1)C)CCCCOC2=C(C=CC=C2OC)OC.Cl Cl- 1 3.47 2 3 -0.446458095099322 16189663 CC1=CC(=C(C=C1NC(=O)CN2C=CSC2=N)OC)[N+](=O)[O-].Cl Cl- 1 1.057 4 4 0 -17.6697981195849 16189669 CC1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)O.[Br-] Br- 1 5.683 2 2 0.159999607881651 16189671 CC1=C(C=C(C=C1)S(=O)(=O)NN/C=C\2/C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=C(C=C4)OC)OC)[N+](=O)[O-] 1 2.684 4 8 0 -14.5128305507088 16189673 COC1=CC=C(C=C1)/C=C/2\CCCC3C2=NN(C3C4=CC=C(C=C4)OC)C(=O)CSC5=NNC(=N5)N 1 4.304 6 3 0 -9.22819084849359 16189675 C1COCCN1C2=NC(=C(S2)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5.Br Br- 1 4.96 6 5 0 3.5811572075633 16189676 C1=CC=C(C(=C1)NC(=S)NN/C=C\2/C=CC(=O)C(=C2)O)[N+](=O)[O-] 1 1.766 4 4 0 -5.22986662130177 16189678 CC1=C(N=C(O1)C2=C(C=CC(=C2)OC)F)CN3CCC(CC3)C4=CC=CC=C4 1 4.476 2 2 18.5762987326534 16189681 CC1=CC(=CC=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC5=CC=C(C=C5)[N+](=O)[O-] 1 5.656 5 2 0 -11.2183326608947 16189682 CC1=CC=C(C=C1)CN2CCN(CC2CCO)C/C=C/C3=CC=C(C=C3)OC 1 3.933 2 2 8.02612971913544 16189683 CC1=CC(=NO1)C2=NN=C(O2)CCC(=O)NC(C)C3=CC=CC=C3Cl 1 2.466 4 3 0 -29.6214838053361 16189716 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNCCN2CCOCC2)OC.Cl Cl- 1 1.152 3 4 0 -17.1234850315018 16189715 COC1=CC=CC=C1NC(=O)N2CCN(CC2)S(=O)(=O)C 1 0.143 3 4 0 -20.200887199168 16189714 CN(C)CCNCC1=CC(=C(C=C1)OCC2=C(C=CC=C2Cl)F)OC.Cl Cl- 1 3.927 2 2 -3.26462435301574 16189713 CSC1=CC=C(C=C1)CNCCN2CCOCC2.Cl Cl- 1 1.735 2 1 0 0.966711009756302 16189712 CCCCNC(=O)N1CCN(CC1)S(=O)(=O)C 1 -8.9e-002 3 3 0 -23.2615873256447 16189711 CC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)N(C(=N3)CN4CCCCC4)C.Cl Cl- 1 3.841 4 2 -0.518718514757624 16189710 CC1=CC(=CC(=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C)C 1 1.132 3 3 0 -17.3590158700423 16189709 CCOC1=CC=CC=C1CNCCNCC(C)O.Cl Cl- 1 1.141 2 2 0 -0.784190283129794 16189708 CCN(CC)CCNCC1=C(C=CC(=C1)Cl)OCC2=CC=CC=C2F.Cl Cl- 1 4.64 2 1 3.53507139174317 16189707 CCOC1=C/C(=C/C2=C(N3C(=NC2=O)SC(=N3)C4=CC=CC=C4)N)/C=CC1=O 1 2.87 4 3 0 -4.27110226444313 16189706 CCN(CC)CCNCC1=C(C=C(C=C1)Br)OCC(=O)NCC2=CC=CC=C2.Cl Cl- 1 3.579 3 2 -6.84932184613483 16189705 COC1=C(C(=CC(=C1)CNCCCN2CCOCC2)Br)OCC3=CC=C(C=C3)Cl.Cl Cl- 1 4.22 2 3 -1.07060139879565 16189704 CC\1=NN(C(=O)/C1=C/NCC2=CC=CO2)C3=CC(=CC=C3)Cl 1 1.951 3 2 0 -4.25427525146825 16189703 C1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=CC=C3)/C=C\4/C=CC(=O)C(=C4)O 1 2.598 2 3 -0.79419742769231 16189702 C1=CC2=C(C(=C1)O)N/C(=C\C=C\3/C=C(C=CC3=O)Cl)/C=C2 1 3.08 1 2 3.96551664350456 16189701 C1=CC2=C(C(=C1)O)N/C(=C\C=C\3/C=C(C=C(C3=O)Cl)Cl)/C=C2 1 3.448 1 2 5.64781815207961 16189700 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=CC=C4)O.Cl Cl- 1 2.75 2 4 -1.72053241983941 16189699 CCCNC(=O)NC1=C(SC=C1)C(=O)OC 1 1.627 2 3 0 -13.838064022463 16189698 COC1=CC=C(C=C1)N2CCN(CC2)CC(COCC3=CC=CC=C3)O.Cl Cl- 1 2.874 2 3 -1.70136039749236 16189697 CC1=CC(=CC=C1)N/C(=N/C2=NC(=CC(=N2)C(F)(F)F)C(F)(F)F)/N 1 4.547 5 0 1.39167191273025 16189696 C1=CC(=CC=C1C=NN/C(=N/N=CC2=CC=C(C=C2)Br)/N)Br.Cl Cl- 1 4.211 5 0 0.663501302325573 16189695 C=CCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CO4)/O 1 2.069 3 5 0 -11.9535557164971 16189694 CCOC(=O)C1(CCN(CC1)C(=O)C2=C(OC=C2)C)CC3=CC=C(C=C3)OC 1 3.058 1 5 0.789908232251009 16189693 CC1=CC=CN2C1=NC(=C2CN3CCCN(CC3)C=O)C(=O)N(C)CCC4=CC=CC=C4 1 2.293 5 2 0 -12.2462065254393 16189692 CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C=C2)O)Cl)CC3CC3 1 4.211 1 3 5.7696770596976 16189691 C1CCCC(CCC1)NC(=O)C2=NOC(=C2)COC3=CC4=C(C=C3)N=CC=C4 1 4.522 3 3 -10.4809769326946 16189690 CC(C)NC(=O)C1CCN(CC1)C2CCN(CC2)CC3=C(NN=C3)C4=CC=CC=C4 1 2.674 5 1 -5.15023644703653 16189689 CC(=O)NC1=CC=C(C=C1)CN2CCCC(C2)CCC(=O)NCC3=CC=CC=C3F 1 3.262 3 2 -14.7239658613633 16189688 CN(CC1=CN=CC=C1)C(=O)CC2C(=O)NCCN2CC3=CC=C(C=C3)C4=CC=CC=C4 1 2.382 4 2 -29.6437872815991 16189687 CCOC(=O)C1(CCN(CC1)C(=O)C2=CC3=CC=CC=C3N2)CC4=CC=C(C=C4)OC 1 4.394 2 4 5.2098383818279 16189686 C1CN(C(C(=O)N1)CC(=O)NCCC2=CC=NC=C2)C/C=C/C3=CC=CC=C3 1 1.447 4 2 0 -33.7449074512815 16189685 COC1=CC=C(C=C1)CC2(CCN(CC2)CC3=CC=C(C=C3)C(=O)OC)CO 1 3.515 1 4 8.99970981783847 16189684 CC1=CC(=C(C=C1)N2C=CC=N2)CN3CCC(CC3)(CCC4=CC=CC=C4)CO 1 4.845 3 1 13.3040566078328 16189659 CC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C4=CC=CC=C4 1 1.86 5 3 0 -10.3246231788541 16189657 CC1=CC(=C2C(=C1)[C@@]3([C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=C(C(=C(S6)C)C)C(=O)OC)C(=O)N2)C 1 2.993 3 5 0 -5.07197241843473 16189656 CC1=CC2=C(C=C1)NC(=O)[C@]23[C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=C(C(=C(S6)C)C)C(=O)OC 1 2.507 3 5 0 -6.46250966201237 16189655 CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)N4CCN(CC4)C)C=C1.Cl Cl- 1 3.605 4 3 0 -3.80107396049203 16189654 CCN1C(=NC2=C1C=CC(=C2)C(=O)NN/C=C/3\C=CC=C(C3=O)OC)C 1 1.025 4 3 0 -5.37546166898706 16189653 CCN1C(=NC2=C1C=CC(=C2)C(=O)NN/C=C/3\C=CC=C(C3=O)O)C 1 0.8 4 3 0 -5.45688091259853 16189651 CC1=CC=CC2=CC(=C(N=C12)Cl)C=NNC(=O)[C@H]3C[C@@H]3C4=CC=CC=C4 1 4.606 3 1 -0.468483703528797 16189650 COC1=C(C=C(C=C1)C\2=CNN/C2=C/3\C=CC(=CC3=O)OCC4=CC=C(C=C4)[N+](=O)[O-])OC 1 2.211 3 6 0 -6.74826575343874 16189649 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)NCC5=CC=CO5)/C(=O)C=C1C 1 2.194 4 4 0 -19.9886210233409 16189648 CC1(CC(C2=CC=CC\3=C2N1C(=O)/C3=C/4\C(=O)NC(=S)N4)(C)C5=CC=CC=C5)C 1 3.554 3 2 -11.3881978255255 16189647 COC1=C/C(=C/NN2C(=NNC2=S)C3=NNC4=C3CCC4)/C=CC1=O 1 1.558 6 2 0 -4.26495088360342 16189646 CC(=O)[C@@H]1[C@H]([C@]2([C@@H]3N1C4=C(C=C3)C=C(C=C4)F)C5=CC=CC=C5NC2=O)C(=O)C6=CC=C(C=C6)F 1 4.019 2 3 -5.5458615161829 16189645 C1[C@@H]([C@H]1C(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 4.16 3 4 0 -2.74805069374084 16189644 CCOC1=C/C(=C/NNC(=O)C(=O)N)/C=C(C1=O)Br 1 -1.02 3 4 0 -2.95528684519039 16189643 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NN=C(S3)C 1 3.449 4 3 0 -25.6843868507802 16189640 C/C(=C\1/C=C2C=CC(=O)C=C2OC1=O)/NNC(=O)CC#N 1 -0.35 3 4 0 -10.7570477383553 16189639 COC1=C(C=C(C=C1)CCNC(=O)C(=O)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O)OC 1 2.549 4 5 0 -22.7494371479296 16189638 COC1=CC=CC=C1C\2=CNN/C2=C/3\C=CC(=CC3=O)OCC4=CC=C(C=C4)[N+](=O)[O-] 1 2.228 3 5 0 -5.6134005806982 16189637 CC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC.[Cl-] Cl- 1 1.688 3 5 0 -12.3027677023026 16189636 CC(C)(C)NC(=O)C1CCC(CC1)CNC2=C(C(=O)C2=O)N3CCCCC3 1 2.026 3 3 -13.641478179434 16189635 COC1=CC=C(C=C1)CNC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4 1 2.662 3 4 0 -12.6111669113786 16189634 CC1CCN(CC1)C(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4 1 2.47 3 3 -13.9863561509779 16189633 CCOC1=CC=C(C=C1)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4 1 3.004 3 4 0 -6.1251796430585 16189632 CCOC1=CC=CC=C1NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4 1 3.004 3 4 0 -8.63303093520633 16189631 C1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=C5 1 2.93 4 3 0 -7.6186917458716 16189630 C1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)N4CCCC4 1 1.762 3 3 0 -10.6202784283336 16189629 C1CCC(CC1)N2CCN(CC2)C(=O)C3CCC(CC3)CNC4=C(C(=O)C4=O)N5CCCCC5 1 3.116 4 3 0 -7.69694875230195 16189628 COC1=CC=CC=C1CNC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4 1 2.662 3 4 0 -14.7254247424446 16189627 CC1CC(CN(C1)C(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4)C 1 2.857 3 3 -12.9833133034467 16189626 CC1CCCCC1NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4 1 3.272 3 3 -12.9148733769637 16189625 CC(C1=CC2=CC=CC=C2O1)N(CCCN3CCOCC3)C(=S)NC4=CC=C(C=C4)OC 1 5.369 3 3 -2.87978446270078 16189624 CCC1=CC=CC=C1NC(=O)CNC2CCCCC2.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 3.221 2 1 -5.54087161340016 16189623 CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC=C(C=C4)OCC 1 5.832 4 2 -17.0010196198536 16189622 COC1=CC=C(C=C1)C2=NN(C(=O)CC2)CC3=C(C=CC=C3Cl)F 1 3.692 2 2 -6.8815489258943 16189621 CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC(=CC=C4)OC 1 5.483 4 2 -16.2362282808867 16189620 CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC=CC=C4OC 1 5.483 4 2 -18.7019719957713 16189619 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(C(C)C)C(=O)NC3CCN(CC3)C(=O)OCC 1 1.558 4 6 0 -32.7315799400643 16189618 CCCC(CCC)C(=O)NC1CCN(CC1)CC2=CC=CC=C2.Cl Cl- 1 4.022 2 1 -6.20940186675963 16189617 CCC(C)N1CCNCC1.Cl Cl- 1 0.991 2 0 0 -6.26995728060665 16189616 CCOC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3 1 1.017 2 5 0 -23.0872293957512 16189615 C1CCN(CC1)CC2=NN=NN2CC3CCCO3.Cl Cl- 1 0.683 5 1 0 -21.1796739794127 16189614 CCOC(=O)C1(CCN(CC1)CC2=C(C=CC=C2OC)O)CCC3=CC=CC=C3 1 4.683 1 4 11.9473247232335 16189613 CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C(=C2)Cl)O)OC)CC3CC3 1 4.195 1 4 1.91597152149837 16189612 CC1=CC(=CC(=C1O)C)CN2CCCC(C2)CNC(=O)C3=CC=C(C=C3)F 1 4.252 2 2 -1.93244461762595 16189611 COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C3=CC=CS3 1 2.296 2 4 -17.1211584882545 16189610 COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CN3CCCCC3 1 1.602 3 4 0 -13.4362062454948 16189609 CCOC(=O)C1(CCCN(C1)CC2=CC(=C(C(=C2)OC)O)OC)CC3=CC=CC=C3C 1 4.831 1 5 4.53386716153076 16189608 CCC(C1=NN=NN1C2CCCC2)N3CCN(CC3)C4=CC(=CC=C4)OC.Cl Cl- 1 3.43 6 1 0 -18.5352432094442 16189607 CCCC(C1=NN=NN1C(C)(C)C)N2CCN(CC2)CC3=CC=CC=C3OC.Cl Cl- 1 3.327 6 1 0 -14.7609154983117 16189606 CC1=C(C(=CC=C1)NC(=S)N(CCCN2CCOCC2)C(C)C3=CC4=CC=CC=C4O3)C 1 6.358 3 2 -0.688080894182827 16189605 COC1=CC=C(C=C1)CN(CC2CCC(CC2)C(=O)O)C(=S)NC3=CC=CC=C3OC 1 5.972 2 4 -18.0137729072595 16189604 CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC(=CC(=C4)F)F 1 5.91 4 1 -15.702824331816 16189603 CN(CC1CCCO1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3 1 2.097 2 4 -18.1078266135569 16189602 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCOC)CCOC 1 0.982 5 7 0 -19.8434249972661 16189601 CN(CC1CCCO1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.349 3 4 0 -11.1910359566614 16189600 CN(CC1CCCO1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.858 2 6 0 -17.3639232288185 16189599 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-] 1 0.882 3 7 0 -24.8989232239212 16189598 C1COC(N1S(=O)(=O)C2=CC=CC=C2)CNC(=O)C(=O)NCCC3=CNC4=CC=CC=C43 1 1.579 4 5 0 -22.4794186875644 16189597 CC(C)N(CCCNC(=O)C1=CC=C(C=C1)N2CCCC2=O)CC3=CC=CC=C3 1 3.13 3 2 -17.1131822032104 16189596 CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC=CC=C4C 1 5.986 4 1 -17.7349500242083 16189595 CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC=C(C=C4)C 1 5.986 4 1 -16.0401295622086 16189594 CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC(=CC=C4)Cl 1 6.164 4 1 -13.4310982097248 16189593 CN(C1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3 1 3.36 3 4 0 -12.1159910636508 16189592 CCOC1=CC=C(C=C1)N(CC(=O)NN=C2CCCC2)S(=O)(=O)C 1 1.253 3 4 0 -16.3578607956738 16189591 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3O)S(=O)(=O)C4=CC=CC=C4 1 4.363 2 3 -5.79844373361888 16189590 CC1=CC=CC(=N1)C2C3=C(CCN2C(=O)C4=CC(=NN4)C5=CC=CN5C)C6=CC=CC=C6N3 1 4.826 6 1 0 -18.2819605324634 16189589 CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2OC)N3CCN(CC3)CC=C.Cl Cl- 1 2.615 6 1 0 -16.039576734837 16189588 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)Br)CNC(=O)C(=O)NCC3=CC=CO3 1 0.894 3 6 0 -19.3446605693456 16189587 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)Br)CNC(=O)C(=O)NCCCN3C=CN=C3 1 -6.7e-002 5 5 0 -17.0708838035412 16189586 COC1=CC=C(C=C1)CN(CC2CCC(CC2)C(=O)O)C(=S)NC3=C(C=CC(=C3)Cl)OC 1 6.636 2 4 -14.8632475476549 16189585 CC1=CC(=CC=C1)CN2C3=CC=CC=C3/C(=N/NC(=S)NC4=CC=CC=C4F)/C2=O 1 5.648 4 1 -3.60813236613043 16189584 C1=CC=C(C(=C1)CN2C3=CC=CC=C3/C(=N/NC(=S)NC4=CC=CC=C4F)/C2=O)F 1 5.367 4 1 -6.68110285909099 16189583 CCCC(C1=NN=NN1C(C)(C)C)N2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 3.343 6 0 -12.0721704163843 16189582 C1C2C3C(C1C4C2C(=O)N(C4=O)CCC(=O)O)SC5=C(C3C6=CC=CC=C6)SC(=O)N5 1 1.917 2 5 0 -14.8953239162402 16189581 CC1=CC(=C(C(=C1)C)OCC(CN2CCN(CC2)C3=CC=CC=N3)O)C.Cl Cl- 1 3.918 3 2 -0.636656753396246 16189580 COC1=C(C=CC(=C1)CC=C)OCC(CN2CCN(CC2)CC3=CC=CC=C3)O.Cl Cl- 1 3.973 2 3 -8.98087007016138 16189579 CSC1=CC=CC(=C1)NC(=S)N(CCCN2CCCC2)CC3=CC=CN3CC4=CC=C(C=C4)Cl 1 7.461 4 0 -3.71619314597012 16189578 COC1=CC=CC(=C1)NC(=S)N(CCCN2CCCC2)CC3=CC=CN3CC4=CC=C(C=C4)Cl 1 6.902 4 1 -5.87493380966134 16189577 CC(C)CC(C(=O)O)NC(=O)CNC(=O)C1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(O3)(C)C)OC(O2)(C)C 1 -1.081 2 9 0 -34.0099944229307 16189576 CC1=CC=C(C=C1)NC(=S)N(CCCN2CCCC2)CC3=CC=CN3CC4=CC=C(C=C4)Cl 1 7.405 4 0 -5.72127876868008 16189575 COC1=C(C=C(C=C1)NC(=S)N(CCCN2CCCC2)CC3=CC=CN3CC4=CC=C(C=C4)Cl)Cl 1 7.567 4 1 -7.37222262761484 16189574 CC(C)(C)C1=CC=C(C=C1)C2CC2C(=O)NN/C=C\3/C=CC=N3 1 2.155 3 1 -1.08146321312485 16189573 CC1=CC=CC=[N+]1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-].[Cl-] Cl- 1 2.11 3 3 -7.58029225213602 16189572 C1CC(=O)N(N=C1C2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3 1 1.898 3 2 0 -15.1553130956196 16189571 CC1CCCC(C1C)NC(=O)C2C3=CC=CC=C3C(=O)N2CC4=C(C=C(C=C4)OC)OC 1 4.172 2 4 -11.461362959931 16189570 COC1=C(C=C2C(=C1)C(=O)/C(=C(\NCCCN3CCOCC3)/O)/C(=O)N2)OC.Cl Cl- 1 0.399 3 6 0 -12.4725675037539 16189569 CC(C)CN(CCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)CC(C)C 1 2.048 4 5 0 -26.4681193690891 16189568 CC1=NC(=CS1)CNC(=O)C2=CC=CC=C2OC3CCN(CC3)S(=O)(=O)C 1 0.697 3 4 0 -25.75853195128 16189567 CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=C(C=CC=C3OC)O 1 4.096 1 3 6.31311923848 16189566 CCS(=O)(=O)N1CCCC(C1)C(=O)C2=C(C=C(C=C2)OC)C 1 2.2 1 4 -10.1051724656994 16189565 CCOC(=O)CNC(=O)N1CCCC(C1)CNS(=O)(=O)C2=CC=CS2 1 0.533 3 5 0 -21.8713247263486 16189564 CC1CCCCN1C(=O)C2=CC=C(C=C2)OC3CCN(CC3)S(=O)(=O)N(C)C 1 1.274 3 4 0 -25.083951074556 16189563 COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CCCC(=O)OC 1 1.205 2 6 0 -22.6501667004722 16189562 CCOC(=O)CNC(=O)N1CCCC(C1)CNS(=O)(=O)CC2=CC=CC=C2 1 0.753 3 5 0 -23.8788148863138 16189561 COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CCC(=O)OC 1 0.749 2 6 0 -22.0458214711726 16189560 COC1=CC(=C(C=C1)O)CN2CCCC(C2)C(=O)C3=CC=CC=C3SC 1 4.198 1 3 2.73932182956224 16189559 CC1=CC=C(O1)CN2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC 1 2.329 2 4 -2.90689070302858 16189558 CN(C)S(=O)(=O)N1CCCC(C1)(CC2=CC(=CC=C2)OC)CO 1 0.852 2 4 0 -3.44967576945474 16189557 C1CC(CN(C1)C(=O)NC2=CC=CC=C2)CNS(=O)(=O)CC3=CC=CC=C3 1 2.274 3 3 -16.8124115628306 16189556 CN(C)S(=O)(=O)N1CCCC(C1)C(=O)C2=CC(=C(C=C2)C3=CC=CC=C3)F 1 2.696 2 3 -6.94142712832765 16189555 C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)OCCO3)CNS(=O)(=O)C4=CC=CS4 1 1.931 2 5 0 -17.5961206696413 16189554 CN(C)S(=O)(=O)N1CCC(CC1)(CCC2=CC=CC=C2)CO 1 1.19 2 3 0 -7.31270951785986 16189553 CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC(CC2)(CC3CCCCO3)CO 1 0.894 3 4 0 -12.0620459956509 16189552 CCC1=CC=C(C=C1)CN2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC 1 3.945 2 3 -2.24734728664423 16189551 COC1=CC(=C(C=C1)CN2CCN(C(C2)CCO)CCC3=CC=CC=C3)O 1 3.058 2 3 9.51735012356399 16189550 CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CN=CC=C2)CC3=CC(=CC=C3)OC 1 2.496 2 5 0 -10.4555433029376 16189549 COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)CC3=CN=CC=C3 1 1.852 3 3 0 -3.43723693109178 16189548 CC(C(=O)O)NC(=O)CNC(=O)C1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(O3)(C)C)OC(O2)(C)C 1 -2.312 2 9 0 -30.9700849183932 16189547 CC(C)CC(C1=NN=NN1C(C)(C)C)N2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 3.595 6 0 -11.6543693243535 16189546 CCOC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C)CCO)C3=CC=C(C=C3)OCC.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 5.033 1 3 7.27354075456079 16189545 C1CC(CN(C1)C(=O)CC2=CC=C(C=C2)F)CCC(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.157 4 2 -10.9863292496021 16189544 CCC(C1=NN=NN1CC2=CC=C(C=C2)OC)N3CCN(CC3)C4=CC=C(C=C4)OC.Cl Cl- 1 3.595 6 2 0 -15.4849802827476 16189543 CCCCC(C1=NN=NN1CS(=O)(=O)C2=CC=C(C=C2)C)N3CCN(CC3)C.Cl Cl- 1 2.927 6 2 0 -20.3762193286058 16189542 COC1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=CC=C3)/C=C\4/C=CC(=O)C(=C4)OC 1 2.807 2 4 0.148515088489899 16189541 CC(C(=O)O)NC(=O)/C(=C\C1=CC=CO1)/NC(=O)C2=CC=CC=C2Br 1 2.104 2 5 0 -18.6082469670226 16189540 CCCCCCCN1C2=CC=CC=C2N(C1=N)CC(C3=CC=CO3)O.Cl Cl- 1 4.217 3 2 -3.09647084138188 16189539 C1CN(CCN1CC2=CC=CC=C2Cl)N=CC3=CC=NC=C3.Cl Cl- 1 2.618 4 0 3.58579192452319 16189538 CC1=C(C=C(C=C1)N\2C(=C(C(=O)/C2=C\C3=CC=C(C=C3)O)C(=O)OC)C)C 1 4.365 1 4 -5.67152089002741 16189537 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)OC 1 4.053 2 6 0 -7.59578118409412 16189536 C1CCN(C(C1)CCC2=CC(=CC=C2)O)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5 1 4.99 3 3 4.19668637179276 16189535 CCOC(=O)C1(CCN(CC1)CC2=C(C(=CC=C2)OC)O)CC3=CC=CC=C3 1 4.226 1 4 9.20321870078787 16189534 C1CC(CN(C1)C(=O)CCC2=CC=CC=N2)CNS(=O)(=O)C3=CC=CS3 1 1.493 3 3 0 -19.147362850063 16189533 C1CN(CCC1(CC2=CC=C(C=C2)Cl)CO)S(=O)(=O)C3=CC=CS3 1 3.17 1 3 -0.603207116831414 16189532 CCOC(=O)C1(CCN(CC1)S(=O)(=O)C)CC2=CC=CC=C2Cl 1 2.616 1 4 -7.7820307080014 16189531 C1CCN(C(C1)CCC2=CC=C(C=C2)O)CC3=NC(=NO3)C4CC4 1 3.645 3 2 0.57615445380363 16189530 CS(=O)(=O)N1CCC(CC1)OC2=CC=CC=C2C(=O)NC3CCOC3 1 -3.9e-002 2 5 0 -26.185135899326 16189529 CC1=NC(=CS1)CN(C)C(=O)C2=CC=CC=C2OC3CCN(CC3)S(=O)(=O)C 1 0.903 3 4 0 -22.7778760884682 16189528 C1COCCN1CCCNCC2=CC(=CC=C2)Br.Cl Cl- 1 2.004 2 1 -0.483119278700442 16189527 CC1=NC(=C(C(=C1)COC)C#N)OCC(=O)NN/C=C/2\C=CC(=O)C=C2O 1 -0.342 4 5 0 -11.3645012395014 16189526 CCOC1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCC2=CC=CC=N2 1 -1.439 3 4 0 -12.1409077992786 16189525 CC1=CC(=NN1C)C(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=CS3 1 1.369 4 3 0 -16.5168031074129 16189524 CC1=C(SC=N1)C(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=CS3 1 1.175 3 3 0 -22.8591003772064 16189523 CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=CC=CC=C3O 1 4.112 1 2 5.25524729493145 16189522 CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C 1 2.55 2 5 0 -10.9435807120738 16189521 C[C@H]1C(=O)N(CCN1C(=O)C2=CC=CC=C2OC3CCN(CC3)S(=O)(=O)C)C 1 -4.3e-002 3 5 0 -29.5632907060669 16189520 CCOC1=C(C=CC(=C1)CN2CCCC(C2)C(=O)C3=CC(=CC=C3)C(F)(F)F)O 1 4.947 1 3 10.9283818254219 16189519 CC1CCCCN1C(=O)C2=CC=CC=C2OC3CCN(CC3)S(=O)(=O)C 1 1.683 2 4 0 -24.2141796870886 16189518 CC(CC1=CN=CC=C1)NC(=O)C2=CC=CC=C2OC3CCN(CC3)S(=O)(=O)C 1 1.314 3 4 0 -24.9923125551616 16189517 CS(=O)(=O)N1CCC(CC1)OC2=CC=CC=C2C(=O)NC3CCCCCC3 1 2.497 2 4 -22.2446671281037 16189516 C1CCC(CC1)NC(=O)N2CCCC(C2)CNS(=O)(=O)CC3=CC=CC=C3 1 2.556 3 3 -20.913209657513 16189515 COC1=CC=CC(=C1CN2CCCC(C2)C(=O)C3=CC(=CC=C3)C(F)(F)F)O 1 4.598 1 3 13.697759127536 16189514 C1=CC=C\2C(=C1)C=CC(=O)/C2=N\NC3=C(SC=C3)CCCC(=O)O 1 3.716 2 3 -10.207103618186 16189513 CC(CCC1=C(C=CS1)N/N=C/2\C(=O)C=CC3=CC=CC=C32)CC(=O)O 1 4.424 2 3 -6.97710678919599 16189512 CCOC(=O)C1(CCN(CC1)S(=O)(=O)N(C)C)CC2=CC=CC=C2Cl 1 2.207 2 4 -11.8865458402594 16189511 CN(C)S(=O)(=O)N1CCC(CC1)(CC2=CC(=CC=C2)OC)CO 1 0.717 2 4 0 -7.04811694155438 16189510 CC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=CC(=C(C(=C3)OC)O)OC 1 3.207 2 4 2.7389851861685 16189509 C1CN(C(CN1CC2=CC=CC=C2O)CCO)CCC3=CC=CC=C3 1 3.075 2 2 8.72024719747572 16189508 CC1=C(SC=C1)C(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC 1 2.782 2 4 -15.8966051485964 16189507 CS(=O)(=O)N1CCC(CC1)OC2=CC=CC=C2C(=O)NCCCC3=CN=CC=C3 1 1.393 3 4 0 -26.6369595749394 16189506 C1CN(C(CN1CC2=C(C=CC3=CC=CC=C32)O)CCO)CCC4=CC=CC=C4 1 3.983 2 2 11.6933008015709 16189505 C1CN(CCC1(CC2=CC(=CC=C2)F)CO)S(=O)(=O)C3=CC=CS3 1 2.711 1 3 -0.926461885498468 16189504 CSCCCNC(=O)C1=CC=CC=C1OC2CCN(CC2)S(=O)(=O)C 1 0.859 2 4 0 -27.8479775154863 16189503 CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=C(C=CC(=C3)OC)O 1 4.096 1 3 6.15142338553201 16189502 C1CC(CN(C1)C(=O)NCCC2=CC=CC=C2)CNS(=O)(=O)CC3=CC=CC=C3 1 2.602 3 3 -20.8048416364723 16189501 CCC1=C(C(=NN1)C(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=CS3)C 1 2.317 4 3 0 -16.4859452331614 16189500 CC1=C(C=CC(=C1)OC)NC(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=CS3 1 2.524 3 4 0 -17.4351660173634 16189499 CS(=O)(=O)N1CCCC(C1)C(=O)C2=CC(=CC=C2)Cl 1 2.046 1 3 -5.56478445380044 16189498 COC1=CC(=C(C=C1)OC)NC(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=CS3 1 2.021 3 5 0 -16.7909007253765 16189497 CC1=CC(=C(C(=O)N1)C(=O)N2CCCC(C2)CNC(=O)C3(CC3)C4=CC=C(C=C4)Cl)C 1 2.629 3 3 -23.1298244967754 16189496 C1CC(CN(C1)C(=O)NC2=CC(=CC=C2)F)CNS(=O)(=O)CC3=CC=CC=C3 1 2.48 3 3 -14.6691145233034 16189495 CC1=CC=C(O1)CN2CCN(CC2CCO)C/C=C/C3=CC(=C(C=C3)O)OC 1 2.532 2 4 7.80020495001836 16189494 CC(=O)NCC(=O)N1CCCC(C1)CNS(=O)(=O)C2=CC=C(C=C2)OC 1 -0.262 3 5 0 -16.8053759995344 16189493 C1CC(CN(C1)CC2=CC=CC3=NON=C32)CNS(=O)(=O)CC4=CC=CC=C4 1 2.595 4 3 0 -5.08869340041587 16189492 COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CC3CCCC3 1 2.594 2 4 -16.4798129670112 16189491 CCCCN1C2=CC=CC=C2N(C1=N)CC(C3=CC=CC=C3)O.Cl Cl- 1 3.56 3 1 -2.11529642862387 16189485 CC1=CCC(CC1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)OC.Cl Cl- 1 4.123 2 1 -2.6924641925797 16189484 CC(C)OC1=C(C=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3)OC.Cl Cl- 1 4.226 2 2 -13.0258355033412 16189483 CC1CCC(CC1)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4 1 3.205 3 3 -12.6516867727746 16189482 C[N+]1=NN(C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)Br.[Br-] Br- 1 4.369 3 1 -1.45439903562954 16189481 CC1=C(C(=NN1)C)S(=O)(=O)N(CC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC 1 2.938 5 4 0 -8.00372810705428 16189480 C1CN(C2=C1C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)F)C(=O)CCCC(=O)O 1 2.232 2 5 0 -19.5151521570887 16189479 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4)N(C(=O)C1=O)C 1 0.22 4 6 0 -14.6463905211439 16189478 CCCCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C(=O)N3C)C 1 2.491 3 4 0 -12.79758356514 16189477 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C(=O)N3C)C)C 1 1.135 3 4 0 -16.1513295071598 16189476 CN1C2=C(C=C(C=C2)S(=O)(=O)N(CCN(C)C)CC3=CC=CC=C3)N(C(=O)C1=O)C 1 1.302 4 4 0 -11.93434929949 16189475 C1=CSC(=C1)C2=NOC(=N2)C(=O)NCC3=CC=NC=C3 1 1.221 4 2 0 -7.63900227380001 16189474 CCN1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)/C=C/3\C(=O)N(C4=CC=CC=C4S3)CC5=CC=CC(=C5)C 1 5.003 4 2 -4.81617081927933 16189473 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCC3=CC=CO3 1 0.465 3 6 0 -24.90533707922 16189472 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NC3=C(N=CC=C3)Cl 1 0.999 4 5 0 -18.9892772073481 16189471 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NCCCN5CCCC(C5)C 1 3.296 4 4 0 -23.2362304015796 16189470 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NCCCN5CCCC5 1 2.521 4 4 0 -22.1095543189385 16189469 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NCCCN5CCN(CC5)C 1 2.017 5 4 0 -20.4696477427418 16189468 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC(CC3)C)C(=O)N4CCN(CC4)C(=O)OCC 1 1.784 4 6 0 -22.6589358942603 16189467 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C3CCCCC3)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.282 5 4 0 -8.29923891680676 16189466 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCCC4=CC=CC=C4 1 2.566 3 4 0 -20.9094820161009 16189465 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=CC=CO4 1 1.427 3 5 0 -22.9730713460685 16189464 CCOC(=O)N1CCN(CC1)C(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCC(CC4)C)C 1 1.435 4 6 0 -24.2117191520186 16189463 COC1=C/C(=C/NNC(=O)C2CCN(CC2)CC(COCC3=CC=CC=C3)O)/C=CC1=O 1 0.598 3 5 0 -5.26003277825823 16189462 COC1=CC(=C(C=C1)OC)N2CC([N+]3=C2SCCC3)(C4=CC=CC=C4)O.[Br-] Br- 1 3.609 2 3 -7.07537140758111 16189461 CC1=C(C(=CC=C1)N2CC([N+]3=C2CCCC3)(C4=CC=CS4)O)C.[Br-] Br- 1 4.197 2 1 -5.09307382419507 16189460 CC1=CC=C(C=C1)C2(CN(C3=[N+]2CCCC3)C4=CC=C(C=C4)OC)O.[Br-] Br- 1 3.741 2 2 -4.54308814625162 16189459 C1CC[N+]2=C(C1)N(CC2(C3=CC=CS3)O)C4=CC=CC=C4.[Br-] Br- 1 3.225 2 1 -8.58039780045445 16189458 CCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=C(C=C3)N(C)C 1 2.492 4 3 0 -14.230762456231 16189457 CCN1CCOC(=O)C1CC(=O)NC2=CC=C(C=C2)C(=O)OCC 1 1.418 2 5 0 -18.1157724362155 16189456 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[N+]3=CC=CC=C3.[Cl-] Cl- 1 3.631 2 2 -4.95781485323441 16189455 C1CCC(CC1)N2C(=NN=N2)C(C3=CC=C(C=C3)O)N4CCOCC4.Cl Cl- 1 2.43 5 2 0 -19.2332534627063 16189454 C1=CC2=C(C=C1CN)NC(=O)N2.Cl Cl- 1 -0.202 3 1 0 -10.8745224598376 16189453 CC(C)(CO)NCC1=CC=CS1.Cl Cl- 1 1.15 1 1 0 -5.11248116211996 16189452 CCN(CC)CCN(CC(=O)N(C1CCCCC1)C2CCCCC2)C(=O)C3=CN=CC=C3.O.Cl Cl- H2O 1 3.912 4 2 -12.5751300870543 16189451 C=CCN1C=[N+](C2=CC=CC=C21)CC(=O)C3=CC=C(S3)Br.[Br-] Br- 1 5.151 2 1 0.4328144021829 16189448 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CNCCCOCC.C(=O)O COOH 1 0.862 3 4 0 -20.4951731434497 16189447 C1CC(CN(C1)CC2=CC(=C(C=C2)F)F)CNS(=O)(=O)CC3=CC=CC=C3 1 3.437 2 2 -5.43986776447654 16189446 C1=CC=C2C(=C1)N=C(N2CCC(=O)O)CO.Cl Cl- 1 0.869 2 3 0 -2.77724015918908 16189445 C1=C/C(=C\NNC2=C(C=CC=N2)[N+](=O)[O-])/C(=O)C=C1 1 1.055 4 3 0 -3.49345929067103 16189444 CC1=CC(=C(C=C1)N2C(=O)/C(=C/NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/C(=N2)C)C 1 2.15 5 4 0 -4.52122560451986 16189443 CC(C)CC1CCCCC1OC(=O)C[N+]2(CCCCC2)C.[I-] I- 1 2.931 1 2 -8.62636906338985 16189442 CC(C)(C)C(=O)CN1C2=CC=CC=C2N=C1NCCCl.Cl Cl- 1 3.222 3 1 -9.33717178487803 16189441 CCC1=NN=C(S1)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4 1 2.073 5 3 0 -13.684366365925 16189440 CC1=NN=C(N1N)NN=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O.Cl Cl- 1 1.32 6 3 0 -6.27424000768612 16189439 CCCCCC1=C(N=C(NC1=O)SCCN(CC)CC)O.Cl Cl- 1 4.001 3 2 -14.3680332252134 16189438 CC1CCCCN1C(C2=CC=CC=C2)C(=O)O.Cl Cl- 1 -0.22 1 2 0 -7.78805808318025 16189437 C1CCN(CC1)C(C2=CC=CC=C2)C(=O)O.Cl Cl- 1 -0.597 1 2 0 -7.21740522559134 16189435 CC(=NNC(=O)CNC(=O)C1=CC(=CC=C1)OC)/C=C/C2=CC=CC=C2 1 2.165 3 3 -12.059674464669 16189434 C1=CC=C(C=C1)/C=C/C(=O)NCC(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 2.105 4 4 0 -12.9137927065787 16189433 COC1=CC=C(C=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CS3 1 5.929 3 1 -6.33290262354522 16189432 C1=CC=C(C(=C1)/C=C/C=NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-] 1 4.749 5 6 0 2.73835127161293 16189431 CCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC=N2)Cl.Cl Cl- 1 2.999 2 2 -5.34972473488856 16189430 C1CCN(C1)CCNC(=O)C2=CC=C(C=C2)Cl.Cl Cl- 1 2.302 2 1 -4.62235227481056 16189429 CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Br-] Br- 1 4.689 2 5 0 -7.27648540075462 16189428 CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)CC34CC5CC(C3)CC(C5)C4.[Br-] Br- 1 5.72 1 3 -2.56516079827322 16189427 CN(C)CCSC1=NC2=C(N1)C=C(C=C2)OC.Cl Cl- 1 2.551 3 1 -1.83713632628394 16189426 CN(C)CCN1C=NC2=CC=CC=C21.Cl Cl- 1 1.69 3 0 0 -2.63356711967649 16189424 CN(C)CCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC.Cl Cl- 1 4.323 3 5 0 -10.8561466951782 16189423 CC[N+]1=C(N(C2=C1C=C(C=C2)NC(=O)C)C3=CC=CC=C3)C.[I-] I- 1 3.294 3 1 0.146354858533611 16189422 COC1=CC=CC(=C1OC)CNCCC2=CC=CC=C2.Cl Cl- 1 3.239 1 2 0.834698349599167 16189421 C[N+]1=CC=CC(=C1)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3.[I-] I- 1 2.367 3 2 -5.40921769296657 16189420 CC1=C(C=NN1C2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=CC=N5)/O 1 2.352 5 3 0 -4.42462661096382 16189419 CCOC(=O)C1(CCN(CC1)CC2=CC3=C(C(=C2)OC)OCO3)CC4=CC=CC=C4 1 4.236 1 5 5.22905855621153 16189418 CCOC(=O)C1(CCCN(C1)CC2=CN(N=C2C)C)CC3=CC=CC=C3C 1 4.038 3 2 5.71903283223391 16189417 COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC(=O)C3=C(N2)CCCC3 1 2.61 3 5 0 -24.6564289063445 16189416 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3 1 1.135 3 4 0 -18.9486508426551 16189415 CCC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3 1 1.515 3 4 0 -9.6519199710113 16189414 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC(=O)N4 1 1.774 4 4 0 -13.6997803772727 16189413 C1CCC(CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.806 3 3 -17.6267936121065 16189412 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C4=NC(=NN42)CCN5CCCCC5)OC 1 4.456 6 3 0 -17.5288882319184 16189411 CN(C)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NC4=CC=CC=C4OC.Cl Cl- 1 4.148 4 3 0 -18.7075142952617 16189410 CN(C)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NC4=CC(=CC=C4)OC.Cl Cl- 1 4.148 4 3 0 -15.1610415916753 16189409 C1CCN(C1)CCCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)NCC5=CC=CO5 1 3.877 4 3 0 -20.451061739564 16189408 CCCCN(C)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)OCC 1 4.82 3 1 -15.0009312346749 16189407 CN(C1CCCCCC1)C2CCN(CC2)C(=S)NC3=CC(=CC=C3)SC 1 6.015 3 0 -10.0464845986923 16189406 COC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)NCC3=CC=CS3 1 1.87 3 3 0 -18.5718661494638 16189405 CCC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)NCC3=CC=CS3 1 2.829 3 2 -18.3983380760987 16189404 CCC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)NC(C)C3=CC4=C(C=C3)OCCO4 1 3.252 3 4 0 -18.6691920071509 16189403 CCOC1=CC=C(C=C1)NC(=S)N(CCCN2CCCC2)CC3=CC=CN3CC4=CC=C(C=C4)Cl 1 7.251 4 1 -6.90046812953224 16189402 C1CCN(C1)CCCN(CC2=CC=CN2CC3=CC=C(C=C3)Cl)C(=S)NC4=CC=CC(=C4)C(F)(F)F 1 7.861 4 0 -1.45286040558013 16189401 CC1=C(C=C(C=C1)NC(=S)N(CCCN2CCCC2)CC3=CC=CN3CC4=CC=C(C=C4)Cl)C 1 7.891 4 0 -5.96919358332019 16189400 CC(C)OCC(CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)O.Cl Cl- 1 3.557 2 2 -9.13108418267699 16189399 C1CN(CCN1CC(COC2=CC3=C(C=C2)OCO3)O)C4=CC=C(C=C4)F.Cl Cl- 1 3.044 2 4 -0.954538938083938 16189398 CC1=CC(=NN1CCN(C)C2=NC3=NON=C3N=C2NC4CC4)C 1 0.662 8 1 0 -25.9672006000764 16189397 CC1=C(C(=C(C(=N1)Cl)C#N)COC)N.Cl Cl- 1 0.771 3 1 0 -3.59425188970374 16189396 CC(C(C(=O)O)NC=C1C(=O)OC(OC1=O)(C)C)O 1 -1.172 1 7 0 -12.2389976058358 16189395 CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)O)[N+](=O)[O-] 1 2.818 3 5 0 -3.51696278181989 16189394 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NC3CCCC3)C4=CN=CC=C4 1 3.662 4 3 0 -16.6395697980644 16189393 CC1=CC=C(C=C1)CCNC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C(=O)N3C)C 1 1.03 4 5 0 -16.5447522203939 16189392 CC1=NC2=CC=CC=C2N=C1CN3CCCC(C3)C(=O)C4=CC(=C(C=C4)OC)OC 1 3.843 3 3 3.25678140228218 16189391 C1CCN(C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4)OC2=O 1 1.767 3 5 0 -10.419590107295 16189390 COC1=CC=CC=C1N2CCN(CC2)C3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)(C5)CC(=O)O)Cl 1 3.181 4 4 0 -8.05547115723152 16189389 C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=C(C=C(C=C5)F)Cl)Cl)CC(=O)O 1 3.485 3 3 -5.8974944889741 16189388 CCN1C(=C(C=N1)C2=NOC(C2)C(=O)NC3=CC(=CC=C3)O)C 1 1.284 4 3 0 -5.25945057728017 16189387 C1CCCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C5=C(CCCC5)N=C4C=C3)C(=O)O 1 4.278 3 5 0 -18.8418801845298 16189386 CC1CCC2=C(C1)C(=C3C=C(C=CC3=N2)S(=O)(=O)N4CCC(CC4)C(=O)N5CCCCCC5)C(=O)O 1 3.794 3 5 0 -21.9127113249567 16189385 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N(CCC3=CC=NC=C3)C(C)C 1 1.386 4 5 0 -20.4091863676159 16189384 CN1C2=C(C=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C(=O)N(C1=O)C 1 1.453 5 5 0 -28.0779626048657 16189383 CCN(C1=CC=C(C=C1)OC)C(=O)C2=CC3=C(S2)C4=C(C=CC(=C4)C)NC3=O 1 4.357 2 3 -9.89309519092906 16189382 CC1=CC(=CC=C1)N(C)C(=O)C2=CC3=C(S2)C4=C(C=CC(=C4)C)NC3=O 1 4.51 2 2 -7.44571976856542 16189381 CCN(C1=CC=CC=C1C)C(=O)C2=CC3=C(S2)C4=C(C=CC(=C4)C)NC3=O 1 4.859 2 2 -13.0704393367793 16189380 CCCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=C(ON=C2C)/C=C/C3=CC=CS3 1 3.058 3 4 0 -18.869060177399 16189379 CC1=NOC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCCOC)/C=C/C3=CC=CS3 1 1.598 3 5 0 -19.5844864807687 16189378 CC1=NOC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC(OC)OC)/C=C/C3=CC=CS3 1 1.667 3 6 0 -19.3544803147518 16189377 C1CSC2=[N+]1C(CN2C3=CC=CC=C3)(C4=CC=C(C=C4)Br)O.[Br-] Br- 1 4.328 2 1 -4.32495947590407 16189376 C1CSC2=[N+]1C(CN2C3=CC=CC=C3)(C4=CC=C(C=C4)Cl)O.[Br-] Br- 1 4.244 2 1 -2.86829973080263 16189375 COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C3CCCC3 1 2.349 2 4 -11.4735539681232 16189374 CC(CNCCNCC1=CC=CS1)O.Cl Cl- 1 0.548 2 1 0 -0.967671568541685 16189373 C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)NC4=CC(=CC=C4)F 1 2.047 4 2 -6.80298983677885 16189372 CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCO)\NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.133 4 8 0 -20.9846216354195 16189371 CCN(CC)C(=O)/C(=C/C1=CN(C2=CC=CC=C21)S(=O)(=O)N(C)C)/NC(=O)C3=CC=C(C=C3)OC 1 2.547 4 5 0 -15.1699425881327 16189370 CCCNC(=O)/C(=C/C1=CN(C2=CC=CC=C21)S(=O)(=O)N(C)C)/NC(=O)C3=CC=C(C=C3)OC 1 2.516 4 5 0 -20.0684217499332 16189369 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCC(=O)NC(C)C3=CC=CC=C3 1 2.106 3 3 -14.4106976378033 16189368 CC1=CC=C(C=C1)CNC(=O)CNS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C 1 2.215 3 3 -14.1931285361018 16189367 CCC(CC1=CC=CC=C1)NCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3)C 1 2.272 2 2 -4.66315312009581 16189366 CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNCCC3=CCCCC3 1 1.794 2 2 0 -8.38441809223229 16189365 C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)N/C=C/4\C=C(C(=C(C4=O)Br)O)Br 1 3.907 3 2 3.47757707014529 16189364 CC(C)C1=CC=C(C=C1)NC(=O)NCC2=CC=C(C=C2)F 1 3.929 2 1 -3.49771069852016 16189363 C1CCC(CC1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCCC4 1 3.513 7 2 0 -4.67350510744047 16189362 COC1=NC(=NC(=N1)NC2CCCCC2)NC3=CC=C(C=C3)[N+](=O)[O-] 1 3.494 6 3 0 -8.32271718678315 16189361 COC1=CC(=C(C=C1)OC)C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)NS(=O)(=O)C 1 3.294 3 5 0 -13.5375412309045 16189360 CCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)CC)C3=CC=C(C=C3)C 1 3.164 3 3 -11.3108794209187 16189359 CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCOCC3 1 1.515 3 3 0 -16.0698501448084 16189358 CCCCN(CCCC)CC1=CC=C(O1)C(=O)NNC(=O)NC2=CC=C(C=C2)Cl 1 4.648 4 3 0 -4.83811962512653 16189357 CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNCC(C)C3=CC=CC=C3 1 1.69 2 2 0 -8.34607885320439 16189356 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(C)CC(=O)NC3=CC=CC=C3F 1 2.133 3 3 -12.4445338125703 16189355 CC(C1=CC=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CN=CN2 1 -2.1e-002 4 3 0 -9.50538178924015 16189354 CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)C2=CN=CN2 1 0.789 4 3 0 -8.98558688202872 16189353 CN(CC(=O)NC1CCCCCC1)S(=O)(=O)C2=CN=CN2 1 0.332 4 3 0 -8.98558688202872 16189352 CCOCCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)OC 1 1.956 2 5 0 -22.1687035230744 16189351 COC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC(OC)OC 1 1.614 2 6 0 -19.6994433421997 16189350 CCOC(=O)N1CCC(CC1)NC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.29 3 5 0 -19.7635559858745 16189349 CC1=C(C=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C 1 1.978 2 6 0 -19.2162265195238 16189348 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N(C2CS(=O)(=O)C=C2)C3=CC=CC=C3 1 2.015 2 5 0 -12.9659279959828 16189347 CCCCN(CCCC)CCNC(=O)C1=CC2=C(C=C1)N=C(C(=O)N2)C3=CC=CC=C3NC(=O)C 1 3.632 5 3 0 -18.8491733424037 16189346 CCCCN(CCCC)CCCNC(=O)C1=CC2=C(C=C1)N=C(C(=O)N2)C3=CC=CC=C3NC(=O)C 1 3.694 5 3 0 -19.8100875148716 16189345 CCOC(=O)N1CCC(CC1)NC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 1.068 3 6 0 -20.8173562718488 16189344 CC1CCC(CC1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.303 3 3 -17.4818950884337 16189343 CN(CC(=O)NCC1=CC(=CC=C1)OC)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 1.76 3 4 0 -16.9730613897928 16189342 CN(CC1=CC=CC=C1)C(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.668 3 3 -18.8825903171602 16189341 CCCN1C2=C(C=C(C=C2)Br)C(=O)/C(=C(/O)\OCC)/C1=O 1 3.171 1 4 1.08108686584172 16189340 COC1=CC=CC(=C1)N2CCN(CC2)C3=C(C=C(C=C3)N4C(=O)CCC4=O)[N+](=O)[O-] 1 2.659 4 5 0 -5.06589653513753 16189339 CCOCCCNC1=C(C=C(C=C1)N2C(=O)C3CCCCC3C2=O)[N+](=O)[O-] 1 2.439 3 5 0 -11.1636496256643 16189338 CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCC3CCCO3 1 3.144 3 2 -15.1654414534541 16189337 CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)N3C(=O)CCC3=O)[N+](=O)[O-] 1 2.63 3 4 0 -8.44440670828168 16189336 CN(C)C1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)Br.[Cl-] Cl- 1 3.601 2 1 -2.6461687756842 16189334 C1CC(CN(C1)C2C3CC4CC(C3)CC2C4)CCC(=O)NCC5=CC(=C(C=C5)F)F 1 5.021 2 1 -4.25730798081944 16189333 CCN1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)/C=C/3\C(=O)N(C4=CC=CC=C4S3)CC5=CC=CC=C5C 1 5.003 4 2 -7.33845058003074 16189332 CCN1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)/C=C/3\C(=O)N(C4=CC=CC=C4S3)CC5=CC(=CC=C5)Cl 1 5.181 4 2 -3.64872788300171 16189331 CCOC1=CC=C(C=C1)N(CC(=O)NCCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 1.861 4 6 0 -25.1303787429247 16189330 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)OC)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 0.852 4 7 0 -24.2835680666067 16189329 CC1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 1.006 4 6 0 -25.712091504881 16189328 CC1=C(C(=CC=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=C(NC(=O)NC3=O)C)C 1 1.492 4 6 0 -22.1411394569827 16189327 C1CCN(C1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4 1 0.13 3 5 0 -21.3264849398742 16189326 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NC4CC4 1 -4.7e-002 3 5 0 -22.6573303163665 16189325 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NCC4=CC=CC=N4 1 -0.662 4 6 0 -28.6748980756674 16189324 CCN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)/C=C/3\C(=O)N(C4=CC=CC=C4S3)CC5=CC=CC=C5F 1 4.785 4 2 -7.59414538112432 16189323 CC1=C(C(=CC=C1)C)OCC(CN2CCN(CC2)C3=CC=CC=C3)O.Cl Cl- 1 4.043 2 2 -1.01459349153099 16189322 CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)NCCC3=CC(=CC=C3)OC)[N+](=O)[O-] 1 3.044 3 5 0 -5.65460244552677 16189321 CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)OC)[N+](=O)[O-] 1 3.044 3 5 0 -5.80980310210318 16189320 CCN(CC)CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCOCC 1 2.529 4 3 0 -16.1354740233346 16189319 C1COC(N1C(=O)C2=CC=C(C=C2)Cl)CNC(=O)C(=O)NCC3=CC=C(C=C3)Cl 1 2.59 3 4 0 -12.5512773963875 16189318 COC1=CC=C(C=C1)C(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC=CO3 1 0.426 3 6 0 -16.1134100284435 16189317 CCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)/C=C/C4=CC=CO4)OC 1 2.905 2 7 0 -22.0119479714972 16189316 CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)/C=C/C4=CC=CO4)OC 1 2.381 2 7 0 -23.3477431548934 16189315 C1CC(OC1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-] 1 3.702 4 5 0 -34.710970566789 16189314 C1CC(OC1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4 1 3.189 4 4 0 -35.5424685022583 16189313 COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC4)OC 1 3.143 4 5 0 -33.7198582617566 16189312 C1CC(OC1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)F 1 4.013 3 3 -29.8846187919529 16189310 CC\1=NN(C(=O)/C1=C/NCC2=CC=CO2)C3=CC=CC=C3 1 1.286 3 2 0 -7.53735583881942 16189309 CC\1=NN(C(=O)/C1=C/NCC2CCCO2)C3=CC=CC=C3 1 0.88 3 2 0 -10.7239113329282 16189308 CC1=C(C(=NO1)C(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-] 1 1.749 3 4 0 -8.80739825278251 16189307 C[N+]1=C(C=CC(=C1)C(=O)N2CCCCC2)/C=C/C3=CNC4=CC=CC=C43.[I-] I- 1 4.336 3 1 -7.83386769146251e-002 16189306 C1=CC(=C[N+](=C1)CC(=O)N)C=NO.[Cl-] Cl- 1 0.115 3 2 0 -1.77661095450604 16189305 C1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)CNS(=O)(=O)C5=CC=CC=C5[N+](=O)[O-] 1 1.154 3 7 0 5.7796929670361 16189304 C1=CC=C(C(=C1)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CO3 1 3.404 3 6 0 -8.62546520556584 16189303 C([C@H](C1C(C2C(O1)NC(=S)O2)O)O)O 1 -0.687 1 5 0 -4.65055479971816 16189302 CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)C(=O)NC2=C(C=CC(=C2)OC)OC 1 2.175 3 6 0 -11.0055172096298 16189301 CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)C(=O)C)/SC2=S 1 2.974 3 5 0 -9.78482117899044 16189300 CN1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)C3CCCC3.Cl Cl- 1 2.897 3 1 1.54374470807661 16189299 CC\1=NC2=CC=CC=C2/C1=C/NNC3=NN=CN3N.Cl Cl- 1 -0.696 7 0 0 -4.11620760402535 16189298 CC(CN1CCN(CC1)C)OC(=O)C2=CC=C(C=C2)F.Cl Cl- 1 2.364 2 2 -1.69070798413613 16189297 CC1=CC=C(O1)C=NNC2=NC(=CN=N2)C3=CC=C(C=C3)OC 1 2.557 5 2 0 2.83181426883129 16189296 C1=CC(=CN=C1)C=NNC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.499 5 2 0 1.99782345736751 16189295 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=CC=C3.[I-] I- 1 3.475 2 2 -7.00826177219355 16189294 C1=CC=[N+](C=C1)CC(=O)NNC=C2C=CC(=O)C=C2.[Cl-] Cl- 1 0.463 3 2 0 -4.98499709496294 16189293 CC1=CC=CC=C1C(=O)OC(C)CN2CCN(CC2)C.Cl Cl- 1 2.645 2 2 -4.32337752626655 16189292 CCN1CC(CC1=O)CN(C)CC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 1.792 4 2 0 6.37032704578508 16189291 CCC(C(=O)OCC)SC1=NN2C(=NN=C2C3=CN=CC=C3)C=C1 1 2.772 5 2 0 -12.3348567785568 16189290 CS(=O)(=O)N1CCN(CC1)C(=O)NC2=CC=CC=C2 1 0.159 3 3 0 -17.0514720925675 16189289 CCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C 1 0.492 3 4 0 -18.0740073150463 16189284 C1CCN(CC1)C2=NC(=NC(=N2)NN=C/C=C/C3=CC=CC=C3[N+](=O)[O-])N4CCCCC4 1 3.663 8 2 0 0.988104712828945 16189283 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)Br)NC(=O)C4=CN=CC=C4 1 3.13 4 2 -7.20442622342039 16189282 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)Br)NC(=O)C4=CC=NC=C4 1 3.13 4 2 -5.93858902335035 16189281 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(C=CC(=C3)Br)Cl 1 3.281 3 2 -7.86514645056594 16189280 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCCCN(CCO)CCO 1 1.739 2 4 0 1.80517866041905 16189279 CC1=CC(=CC=C1)NC(=S)N(CCCN2CCOCC2)C(C)C3=CC4=CC=CC=C4O3 1 5.872 3 2 -0.816404830973929 16189278 CC(C(CC=C)(CC=C)O)N.Cl Cl- 1 0.951 1 1 0 -9.4535718922472 16189277 CCC(=O)N(CCCN(C)C)C1=NC(=CS1)CC(=O)NC2=CC=C(C=C2)Cl.Cl Cl- 1 2.933 4 2 -8.82024979218026 16189276 C1CCN(CC1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=CS4.Br Br- 1 3.424 4 1 -8.08871706071485 16189275 CCCNC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-] 1 2.609 2 4 -9.75179119122879 16189274 CC(C)CCN(C1CCN(CC1)C(C)C)C(=S)NC2=CC(=CC=C2)SC 1 6.007 3 0 -7.85834308324983 16189273 CCOC(=O)N1CCC(CC1)N(CCOC)C(=S)NC2=CC(=CC=C2)SC 1 3.821 3 3 -8.34000052787399 16189272 C1=CC(=CC=C1C=NNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])F 1 2.091 4 4 0 -14.6226821773383 16189271 C1=CC2=C(N=C1)SC(=N2)NC3=CC=C(C=C3)Cl.Cl Cl- 1 3.081 3 0 4.04274916296718 16189269 CCCN1CCC(CC1)N2CCCC(C2)C(=O)O.Cl Cl- 1 -1.495 2 2 0 2.74363755133942 16189268 COC1=CC=C(C=C1)C(=O)NCC(=O)NN/C=C/2\C=NN=C2C3=CC=CC=C3 1 0.922 5 3 0 -11.116873756581 16189267 C1=CC=C(C(=C1)C=NNC(=O)CNC(=O)/C=C/C2=CC=CO2)[N+](=O)[O-] 1 1.5 4 5 0 -13.3354248344689 16189266 COC1=CC=CC=C1/C=C/C(=O)NCC(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 2.089 4 5 0 -14.2273507577 16189265 CC(C)N1CCC(CC1)N(CCOC)C(=S)NC2=CC=CC=C2OC 1 3.738 3 2 -11.0482531802752 16189264 CCN(CC)CCN1C2=CC=CC=C2N(C1=N)CC(C3=CC(=C(C=C3)OC)OC)O.Cl Cl- 1 3.035 4 3 0 -4.66316586715788 16189261 COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CN=C(C4=CC=CC=C43)NC5=CC=CC=C5OC)OC)OC 1 3.929 4 5 0 -3.66704359315005 16189260 CCCCNC(=O)CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCCCC3 1 3.373 4 2 -14.9221335802386 16189258 CC1=NC2=CC=CC=C2C(=C1)NC3=CC(=CC=C3)O.Cl Cl- 1 3.607 2 1 7.82047747315662 16189254 CC1CC(=CC(C1C[N+]2(CCCCC2)C)C)C.[I-] I- 1 2.576 1 0 -5.85611759874067 16189253 CCCC[N+]1=C(SC2=C1C=C(C=C2)C)C.[Cl-] Cl- 1 4.426 1 0 0.681936029165564 16189251 C1CN(CCN1CC(=O)NCC2=CC=CS2)C3=CC=C(C=C3)F.Cl Cl- 1 2.538 3 1 -7.70407015721207 16189250 C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NC3=CC=C(C=C3)C(=O)O)/NC(=O)C4=CC=C(C=C4)Br 1 3.717 2 6 0 -17.4274555045326 16189249 CC1=CC(=NN1)C(=O)NN=C/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 1.956 5 3 0 -5.02015005312674 16189248 C\1=C(C=C(C(=O)/C1=C/NNC(=O)CC2=NN=C(S2)N)Br)[N+](=O)[O-] 1 -0.63 6 4 0 -4.74737675989373 16189247 COC1=CC=CC(=C1)N/N=C/2\C(=NN3C2=NC4=C(C3=O)CCCC4)N 1 1.95 6 2 0 -7.93933553424526 16189246 C1CN(CCN1)C2=CC(=CC=C2)S(=O)(=O)N.Cl Cl- 1 0.118 3 2 0 -6.12628754519929 16189243 CCOC(CNC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC)OCC 1 2.432 2 6 0 -17.2706688216052 16189242 C1=CC=C(C(=C1)/C(=N/OC(=O)C2=CN=CC=C2)/N)Cl 1 1.9 3 2 0 -1.99382315224757 16189241 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COCC4=CC=CC=C4)O.Cl Cl- 1 2.57 2 4 -3.59192917385591 16189239 CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C.Cl Cl- 1 3.234 4 4 0 -10.8647261290945 16189237 CN(C)CCN(C1=NC2=CC3=C(C=C2S1)OCCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C5=CC=CC=C5.Cl Cl- 1 4.064 4 5 0 -13.6057780756217 16189235 CN(C)CCN(C1=NC2=CC3=C(C=C2S1)OCCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C.Cl Cl- 1 2.487 4 5 0 -12.38052256078 16189234 C1=CC=C(C(=C1)C(=O)NN/C=C/2\C=C(C=CC2=O)Cl)Br 1 2.124 2 2 -4.42078112024136 16189233 CN1C(=CC=N1)C(=O)OC2=CC=CC(=C2)C=NNC(=O)C3=CC=CC=C3O 1 2.814 4 4 0 -10.5480726115432 16189231 CC1=CC=CN2C1=NC(=C2CN3CCSCC3)C(=O)N4CCOCC4 1 1.308 4 2 0 -15.9912840502609 16189230 C1CN(C(C(=O)N1)CC(=O)NCCC2=CC=CC=N2)CC3=CC(=CC=C3)OC4=CC=CC=C4 1 2.681 4 3 0 -33.6222430090547 16189229 CC1=CC=CN2C1=NC(=C2CN(C)CC3CCCCO3)C(=O)N4CCCCC4 1 2.92 4 2 -15.6601469091502 16189228 COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)CN4CCCC4 1 4.727 3 1 20.6478745273534 16189227 CC(C)CCN1CCN(CC1CCO)C/C=C/C2=CC=CO2 1 2.856 2 2 2.96408882513729 16189226 COC1=CC=CC(=C1OC)CN2CCNC(=O)C2CC(=O)NCC3=CN4C=CC=CC4=N3 1 0.731 5 4 0 -40.3430002053133 16189225 CC1=CC(=CC(=N1)C)N2CCN(CC2)CC3=C(OC(=N3)C4=CC=C(C=C4)Cl)C 1 3.795 4 1 22.1434250759423 16189224 CC1=CC=CC=C1CC2(CCCN(C2)C(=O)CSC)CO 1 2.455 1 2 -1.78007550404178 16189223 CC1=CC(=C(S1)C)C2=NN(C=C2CN3CCCC(C3)O)C4=CC=CC=C4F 1 4.185 3 1 14.1356695154853 16189222 CCN(CC1=CN(N=C1)C)CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.598 5 1 -6.4600145807166 16189221 CC1=CC2=C(C=C1)NC(=C2C)CN3CCCC(C3)(CC4=CC(=CC=C4)OC)CO 1 5.139 2 2 26.880772458073 16189220 CCOC(=O)C1(CCN(CC1)C2CCN(CC2)C(=O)C)CCCC3=CC=CC=C3 1 3.184 2 3 3.63706975798811 16189219 CCN1CCN(CC1)CC(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4 1 3.463 3 3 -0.76886338235005 16189218 COCCNC1=NC2=NON=C2N=C1N3CCCC3C4=NC=CS4 1 0.144 7 2 0 -19.2490145096759 16189217 CC(C)C1=NOC(=C1)CNC(=O)CC2C(=O)NCCN2CC3CCCCC3 1 2.358 4 3 0 -42.6095626299354 16189216 CC(=O)C1=CC(=CS1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)SC 1 3.49 1 3 -3.00105451709205 16189215 CC(C)N(CCOC)CC1=NC(=NO1)C2=CC=C(C=C2)C(F)(F)F 1 3.024 3 2 6.93533568634096 16189214 CC(C)NC(=O)CC1C(=O)NCCN1CC(C2=CC=CC=C2)C3=CC=CC=C3 1 2.624 3 2 -42.8104780026532 16189213 CC1=NOC(=C1)CN(C)C(=O)CC2C(=O)NCCN2CC(C3=CC=CC=C3)C4=CC=CC=C4 1 2.502 4 3 0 -43.2422317190582 16189212 CC1=C(NC2=C1C=C(C=C2)OC)CN3CCN(C(C3)CCO)C(C)C 1 2.98 3 2 10.561439949292 16189211 CCN1C=CN=C1[C@@H]2C[C@H]3CN(C(=O)[C@@]34N2CCC4)CC5=CC(=CC=C5)Cl 1 2.665 4 1 4.91419770533085 16189210 CCOC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=NC4=C(S3)CCCC4 1 3.367 3 2 -0.623638837807037 16189209 C1CCC(CC1)CN2CCNC(=O)C2CC(=O)NCC3=C(C=CC(=C3)F)F 1 2.825 3 2 -34.0175048416599 16189208 CC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=NC4=C(S3)CCCC4 1 3.521 3 1 0.555550523045126 16189207 C[C@@H]1CCC[C@@H](N1CC2=NC(=NO2)CC3=CC=CC=C3Cl)C 1 3.858 3 1 -10.0013129104867 16189206 CCN(CC)C(=O)C1CCCN(C1)CC2=NC(=NO2)C3=NC=CN=C3 1 0.333 6 2 0 -6.45768147464762 16189205 C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)CCC(=O)NC(C4=CC=CC=N4)C(F)(F)F 1 2.372 4 4 0 -24.9101583171971 16189204 CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)CNCCN4CCOC4=O 1 4.092 4 2 12.6502409068771 16189203 CN1C=CN=C1C2CCCCN2CC3=NC(=NO3)C4=CC5=C(C=C4)OCO5 1 2.177 5 3 0 7.96691156308644 16189202 C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)CCC(=O)NC(C4=CN=CC=C4)C(F)(F)F 1 2.05 4 4 0 -27.6675295924105 16189201 CCN1C=C(C=N1)C(=O)N2CCC(CC2)(CCCC3=CC=CC=C3)C(=O)OCC 1 3.736 3 3 -4.59786496583161 16189200 CCOC(=O)C1(CCN(CC1)CC2=C(C=CC(=C2)F)N3C=CC=N3)CC4CCCCO4 1 4.013 3 3 -3.79276248241738 16189199 CCCN1CCC(CC1)NC(=O)CCC2=NN=C(O2)CC3=C(C=CC(=C3)OC)OC 1 1.798 4 4 0 -20.3161092329448 16189198 C1C[C@@]23[C@@H](C[C@H](N2C1)C4=CC=CN4C5=CN=CC=C5)CN(C3=O)CC6=CC(=CC=C6)Cl 1 3.833 4 1 0.956084227884846 16189197 CCC1=C(C=CC(=N1)C)OCC(=O)N2CCC3=C(C2C4=CC=CC=N4)NC5=CC=CC=C35 1 4.187 4 2 -18.8592252016782 16189196 CC1=CC=C(C=C1)C2(CCCC2)C3=NOC(=N3)CN(C)CCCN4CCOCC4 1 3.316 4 2 1.58198022271375 16189195 CN(CCC1=CC=CC=N1)C(=O)CCC2CCCN(C2)C(=O)C3=CC4=C(C=C3)OCCO4 1 2.581 3 4 0 -19.991999894496 16189194 CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)CN4CCCN(CC4)C=O 1 3.969 4 1 22.7077736850781 16189193 CC1=CC=C(O1)CNC(=O)CCC2CCCN(C2)CC3=CC=C(O3)COC 1 2.327 2 4 -13.777250184195 16189192 CC(C)(CNCC1=C(NN=C1)C2=CC(=C(C=C2)OC)F)N3CCOCC3 1 2.219 4 2 -5.0916986737542 16189191 COC1=CC=CC(=C1)CC2(CCCN(C2)CC3=C(NN=C3)C4CCCCC4)CO 1 4.511 3 2 14.090330556072 16189190 CN1C=C(C=N1)CN2CCCC(C2)(CC3=CC(=CC=C3)Cl)CO 1 3.125 3 1 18.2752581030661 16189189 CC1=CC=CC=C1CN2C[C@@H]3C[C@H](N4[C@@]3(C2=O)CCC4)C5=CC=C(O5)COC 1 2.915 2 3 -1.1810887209317 16189188 CC(C)CN(C)CC1=C(N=C2N1C=C(C=C2)Cl)C(=O)N3CCC4=CC=CC=C4C3 1 4.216 4 1 -13.882683199888 16189187 C1CCN(CC1)C2=NC3=NON=C3N=C2N4CCNC(=O)C4 1 -0.553 7 2 0 -23.4744421847746 16189186 CN1C(=C2CCCCC2=N1)C(=O)N3CCCC(C3)CCC(=O)N(C)CCC4=CC=CC=N4 1 3.257 5 2 0 -22.1454370421603 16189185 CC1=CC(=C(S1)C)C2=NN(C=C2CN3CCCC(C3)CNC(=O)C)C4=CC=CC=C4F 1 3.983 4 1 6.59949513012937 16189184 COC1=CC=CC(=C1)CCC2=NN=C(O2)CCC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C45CC5 1 2.794 3 3 -21.5947365797917 16189183 CC1=CC=CC=C1C2=NC=C(C=N2)CN3CCC(CC3)(CCCC4=CC=CC=C4)CO 1 4.916 3 1 19.9711548564799 16189182 CC1=CC=CC=C1CC2(CCCN(C2)C(=O)C3=CC4=C(C=C3)N=CC=C4)CO 1 3.824 2 2 6.7394396593937 16189181 CN(C)C(=O)C1=C(N2C=C(C=CC2=N1)Cl)CNCC3=CN(N=C3)C4=CC(=CC=C4)OC 1 2.623 6 2 0 -4.02591886843806 16189180 CCOC1=CC=C(C=C1)CN2CCN(CC2CCO)C3CCSCC3 1 2.33 2 2 4.87125286368692 16189179 CC1=NC=C(C=C1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4 1 3.947 2 3 -3.00478233322217 16189178 COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C3CCCN(C3)C(=O)/C=C/C4=CC=CC=N4 1 3.893 2 3 2.33031543023971 16189177 CC(=CCN1CCN(CC1CCO)CC2=CN=C(S2)N3CCOCC3)C 1 1.183 4 2 0 -1.49382127291027 16189176 C1CC(CN(C1)C(=O)CN2CCCC2=O)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 2.054 2 3 -12.6675392114377 16189175 CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)C(=O)CCC3=C(N=CS3)C 1 2.824 2 3 -12.1283244290596 16189174 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)Cl)N5CCN(CC5)C 1 6.053 6 0 -2.3789738917782 16189173 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)N=C(C=C4C)N5CCN(CC5)C 1 6.361 6 0 -5.35724094988315 16189172 CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)N=C(C=C4C)N5CCN(CC5)C)C 1 6.361 6 0 -1.26349345204312 16189171 C1CCC(CC1)CN2CCNC(=O)C2CC(=O)NCC3=C(C=C(C=C3)F)F 1 2.825 3 2 -32.6252744018549 16189170 COC1=CC=CC(=C1)CN2CCN(CC2CCO)CC3=CC=CC4=NON=C43 1 2.549 4 3 0 5.21555919424934 16189169 CCOC1=CC=CC=C1CN2CCN(CC2CCO)C3CCSCC3 1 2.33 2 2 2.42591024550534 16189168 C=CCN(CC=C)C(=O)CCC1=NN=C(O1)CCC2=CNC3=CC=CC=C32 1 3.037 4 2 -28.6786662834042 16189167 CCOC(=O)C1(CCN(CC1)CC2=CN=C(N2)C)CCOC3=CC=CC=C3 1 2.624 3 3 6.94599550207526 16189166 COC1=CC(=C(C=C1)C2=C(C=NN2)CN3CCC(CC3)C(=O)N4CCOCC4)F 1 1.92 4 3 0 -3.35393866911017 16189165 C1CC(CN(C1)C(=O)/C=C/C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)Cl 1 3.665 2 2 1.85402226721753 16189164 CC1=CC=CC=C1CC(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.438 4 2 -13.4827521447521 16189163 COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=CC=N4 1 2.313 3 4 0 -7.55391589829363 16189162 COCC(=O)N1CCCC(C1)C(=O)C2=CC(=C(C=C2)C3=CC=CC=C3)F 1 3.051 1 3 0.891498020606568 16189161 COC1=CC=CC(=C1)CC2(CCN(CC2)C(=O)NCCC3=CC=CC=C3)CO 1 3.236 2 3 0.164138311390383 16189160 C1CC(CN(C1)C(=O)C2=COC=C2)CCC(=O)NCC3=CC(=C(C=C3)F)F 1 2.791 2 3 -22.3612074920945 16189159 CC(C)N1CCC(CC1)N2CCN(CC2CCO)CC3=CN=C(N=C3)SC 1 1.533 5 1 0 2.99392496033693 16189158 CN1C=C(C(=N1)C2=CC=CC=C2F)CN3CCC(CC3)C(=O)N4CCCCC4 1 3.509 4 1 4.01873096207603 16189157 CCN1C(=CC(=N1)C)C(=O)N2CCCC(C2)C(=O)C3=CC(=CC=C3)OC 1 2.811 3 3 -9.7496030662246 16189156 CCC1=NOC(=C1C(=O)N2CCCC(C2)CCC(=O)NCC3=CC(=C(C=C3)F)F)C 1 3.236 3 3 -28.1063641814225 16189155 CC(=O)NC1=CC=C(C=C1)CN2CCN(C(C2)CCO)CCC3=CC=CC=C3 1 2.437 3 2 1.32280650875782 16189154 C1CN(CCC1C2=CC=NC=C2)C(=O)C3=NOC(=C3)COC4=C(C=CC=C4F)F 1 3.233 3 3 -8.22895025417824 16189153 C1CC(CN(C1)C(=O)C2=CN=CS2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 3.52 2 2 -5.89888308332654 16189152 CC(C)C1=CSC(=N1)CN2CCC(CC2)N3CCC(CC3)C(=O)NC(C)C 1 2.481 4 1 -3.38124724137336 16189151 CN1C=C(C(=N1)C2=CC=CC=C2F)CN3CCN(CC3)C4=NC=C(C=C4)Cl 1 3.768 5 0 14.7131279059895 16189150 CCN1C=CN=C1CN2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)OC 1 2.739 3 2 2.4881347301542 16189149 CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)CN(CCO)CC3=CC=CS3 1 3.948 3 1 18.3403123190727 16189148 CN(CCN1CCC2=CC=CC=C2C1)CC3=NC(=NO3)CC4=CC(=C(C=C4)OC)OC 1 3.285 4 3 0 -11.0899195624877 16189147 CN(CC1=NC(=NO1)CC2=CC(=C(C=C2)OC)OC)CC3(CCCCC3)N4CCOCC4 1 3.029 4 4 0 -11.4404159781847 16189146 CC1=CC(=NN1C)C(=O)N2CCC3=C(C2C4=CC(=CC=C4)Cl)NC5=CC=CC=C35 1 4.88 4 1 -14.154628095939 16189145 CC1=C(C(=NC2=NC(=NN12)C)C)CCC(=O)NC3CCCCC3 1 2.319 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CCOC1=CC=CC=C1CN2CCN(CC2CCO)CC3=C4C(=CC=C3)OCO4 1 3.096 2 4 3.01774952413327 16188945 COC1=CC=CC=C1N2C=C(C=N2)[C@@H]3C[C@H]4CN(C(=O)[C@@]45N3CCC5)C6=CC=CC=C6 1 3.462 4 2 -0.846247647675232 16188944 C1CN(C(C(=O)N1)CC(=O)NCCC2=CN=CC=C2)C/C=C/C3=CC=CC=C3 1 1.447 4 2 0 -36.2773016291744 16188943 CC(C)(C)CN1CCNC(=O)C1CC(=O)N2CCC(CC2)C(=O)N3CCOCC3 1 -0.113 4 4 0 -38.1968739812841 16188942 CC1=CC=C(O1)CN2CCN(CC2CCO)CC3=CN=C(S3)N4CCOCC4 1 0.628 4 3 0 2.69117497331378 16188941 CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)C3=CC(=CC=C3)OC)O 1 3.807 1 4 -3.36607619174755 16188940 CN(CC1=CN=CC=C1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5 1 4.284 4 2 4.17566580486779 16188939 COC1=CC=CC(=C1)CN2CCN(CC2CCO)CC3=CC4=C(C=C3)OCCO4 1 2.765 2 4 0.913436761563761 16188916 COC1=C(C=C(C=C1)C2=C(C=NN2)CN3CCCO3)F 1 1.671 3 2 0 -2.99145875403314 16188915 CC1=CC=C(C=C1)CN2CCN(CC2CCO)C3CSCCSC3 1 2.973 2 1 6.1305186774102 16188914 CCN1C=CN=C1[C@@H]2C[C@H]3CN(C(=O)[C@@]34N2CCC4)C5=CC=CC=C5OC 1 1.977 4 2 0 -1.75593406440888 16188913 CC(C1=NC=NC=C1)N(C)CC2=NC(=NO2)CC3=CC=CC=C3F 1 2.231 5 1 -4.34097364430389 16188912 CN(CC1=CC=CC=C1)C(=O)C2=C(N3C=CC=CC3=N2)CN4CCCC4C5=NC=CS5 1 3.113 5 1 -12.9960548442246 16188911 CC1=CC=C(O1)CNC(=O)CCC2CCCN(C2)CC3=CC=CC4=C3N=CC=C4 1 3.45 3 2 -11.4436772867826 16188910 CCOC(=O)C1(CCN(CC1)CC2=NOC=C2)CC3=CC=CC=C3 1 3.154 2 3 5.20233706108196 16188909 C1CC(CN(C1)CC2CC2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3 1 4.66 1 1 9.60035417739349 16188908 COC1=CC=CC(=C1)CNC(=O)CCC2CCCN(C2)C/C=C/C3=CC=CC=C3OC 1 4.371 2 3 -8.96419340448494 16188907 C1CN(CCC1N2CCC(CC2)(CC3=CC=CC=C3)CO)C4=CC(=C(C=C4)F)F 1 4.286 2 1 18.1851161114102 16188906 COC1=C(C=C(C=C1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O 1 3.246 3 6 0 -6.63077389062697 16188905 CC(C)(C)C1C2=C(CCN1CC3=CC=C(O3)COC)C4=CC=CC=C4N2 1 4.598 2 2 -12.4320049754971 16188904 C1CCN(C(C1)C2=CC=CC=N2)CC3=NC(=NO3)CC4=CC(=CC=C4)F 1 3.427 4 1 -2.91987225689441 16188903 CCOC(=O)C1(CCN(CC1)CC2=CC=CN2C3=NC=CC=N3)CCOC4=CC=CC=C4 1 4.095 4 3 0 6.22030100779401 16188902 COC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)C3=CN4C=C(C=CC4=N3)Cl 1 3.072 3 3 -6.70825661027434 16188901 C1CN(CC1C2=CC=C(C=C2)F)C(=O)CCC3=NN=C(O3)C4=CC5=C(C=C4)OCO5 1 2.805 3 4 0 -9.36357366104295 16188900 CC1=C(C(CCC1)(C)C)CCN2CCN(C(C2)CCO)C3CCCC3 1 4.463 2 1 17.6095278058635 16188899 CC1=CC2=NC(=C(N2C=C1)CN(C)CCN3C(=CC(=N3)C)C)C(=O)N4CCCCCC4 1 3.287 6 1 0 -17.968520485633 16188898 CCOC(=O)C1(CCN(CC1)CCCN2C=CC=N2)CCOC3=CC=CC=C3 1 3.176 3 3 3.70716566338711 16188897 CC1=CC=C(O1)CN2CCNC(=O)C2CC(=O)NCCCN3C4=CC=CC=C4C=N3 1 1.113 5 3 0 -39.7100723119156 16188896 CN(CCN1CCOCC1)CC2=NC(=NO2)C3=CC=CS3 1 1.266 4 2 0 -1.24577336115857 16188895 CCN1C=C(C=N1)CNC(=O)CC2C(=O)NCCN2CC(C3=CC=CC=C3)C4=CC=CC=C4 1 2.48 5 2 0 -45.2593621327978 16188894 COC1=CC=CC2=C1N/C(=C\C=C\3/C=C(C=C(C3=O)[N+](=O)[O-])OC)/C=C2 1 2.367 2 5 0 -0.501250477737943 16188893 CC1=CC(=C(C=C1NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)OC)OC)[N+](=O)[O-] 1 2.784 6 5 0 -25.5507537750291 16188892 C1=C/C(=C\C=C\2/N/C(=C/3\C=CC=CC3=O)/ON2)/C(=O)C=C1 1 1.588 2 3 0 -2.28613483099811 16188891 C1=CC2=C(C3=C(C=CC=[N+]3CC4=CC=C(C=C4)[N+](=O)[O-])C=C2)N=C1.[Br-] Br- 1 4.298 3 2 -0.693281872940722 16188890 CC1=C(SC=C1)C(=O)N2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)F 1 4.105 1 2 -5.45025476334998 16188889 CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)C(=O)C3=CSC=C3 1 3.627 1 3 -6.1817639810565 16188888 C1CC1CC2=NOC(=N2)CN3CCC(CC3)C4=NC5=C(N4)C=C(C=C5)F 1 2.944 5 1 -0.553882748509387 16188887 CC(C1=NC=CS1)N(C)C(=O)CCC2=NN=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4 1 3.254 4 2 -10.3974172058307 16188886 CN(C)N=C/C=C/1\CCC/C(=C\C2=CC(=C(C=C2)F)F)/C1=O 1 3.656 2 1 3.47054811971351 16188884 C1=CC=C2C(=C1)N=C(S2)/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)NC4=CC=C(C=C4)Cl 1 5.61 3 3 -2.96211623669459 16188883 C1=CC=C(C=C1)CNC(=O)C2=NC(=NO2)C3=CC=CS3 1 2.371 3 2 -8.02720695432836 16188882 CC1=CC=CC=C1CC2(CCCN(C2)C(=O)C3=CC=C(C=C3)F)CO 1 3.843 1 2 5.59299893267871 16188881 CC1=CC(=C(C=C1)N2C=CC=N2)[C@@H]3C[C@H]4CN(C(=O)[C@@]45N3CCC5)C 1 2.388 4 1 4.22430546656669 16188880 CC1=CC(=CC(=N1)C)N2CCN(CC2)CC3=CN(N=C3C4=CC=CC=C4F)C 1 3.749 5 0 13.1669390529436 16188879 CC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=CC=CN3C4=NC=CS4 1 3.433 4 1 1.02404471731711 16188878 CC1=CC=CC=C1C2=NC=C(C=N2)CN3CCN(C(C3)CCO)C4CCCC4 1 3.142 4 1 9.84531038362677 16188877 CN1C=C(C(=N1)C2=CC=CC=C2F)CNCCCN3C4=CC=CC=C4C=N3 1 3.73 5 0 5.27648600669253 16188876 C1CC12[C@H]3C[C@@H]([C@H]2C=C3)CNC(=O)CCC4=NN=C(O4)CCC5=CC=CC=C5 1 2.81 3 2 -22.2916238362252 16188875 CC1=NON=C1C2CCCN2CC3=C(NN=C3)C4=CC=C(C=C4)C5=CC=CC=C5 1 4.157 5 1 -5.94943761429087 16188874 CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=CO4 1 2.864 3 4 0 -16.2597409849743 16188873 CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=C(C=C4)OC)OC 1 4.59 2 4 -5.60046489315786 16188872 COC1=CC(=CC(=C1OC)OC)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=CC=C4 1 3.759 2 6 0 -10.8274186653111 16188871 CC1=C(SC2=C1C(=O)N(C(=O)N2CC3=CC(=CC=C3)F)C4=C(C=C(C=C4)OC)OC)C 1 4.727 2 4 -4.38784428419956 16188870 CCOC1=C(C=CC(=C1)CNC(CC(=O)OCC)C2=CC=C(C=C2)C)OC.Cl Cl- 1 4.086 1 4 -7.38667494116923 16188869 C1CCN(CC1)CCC2=NN=C(S2)NC(=O)C3=CC=CC=C3.Cl Cl- 1 2.52 4 1 -9.54420998094313 16188867 COC1=CC=CC(=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NC4CCN(CC4)CC5=CC=CC=C5 1 2.598 5 5 0 -10.4730996842723 16188866 CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NCCC4=CC(=C(C=C4)OC)OC)F 1 4.129 3 5 0 -17.1019291228207 16188865 CC1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NC4CCCCC4 1 3.91 3 3 -14.3018422400971 16188864 CCOC1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NCCC4=CC(=C(C=C4)OC)OC 1 3.77 3 6 0 -20.888816674196 16188863 CC(=O)C1=CC(=CC=C1)NC(=O)C2=NOC3=C2CCC4=CC=CC=C43 1 3.647 2 3 -7.54931610341763 16188862 CCN(CC)CCNCC1=CC(=C(C(=C1)Cl)OCC(=O)NC2=CC=CC=C2)OC.Cl Cl- 1 3.472 3 3 -8.00948733591252 16188861 CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])N.Cl Cl- 1 1.163 2 4 0 -10.0012746122245 16188858 CC1=[N+](C2=C(S1)C3=C(C=C2)SC=C3)C.[I-] I- 1 3.473 1 0 2.13486057225051e-002 16188857 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCN(CC3)C)O)C4=CC=C(C=C4)C)C.Cl Cl- 1 4.31 3 4 0 -5.3303540273327 16188856 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNCCCO)O)C3=CC=C(C=C3)C)C.Cl Cl- 1 3.34 2 5 0 -3.52906325009684 16188855 CC1=C(N(C2=CC=CC=C12)CC(CN(CCO)CCO)O)C.Cl Cl- 1 1.51 2 3 0 6.30698700866951 16188854 CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=CC=C2.Cl Cl- 1 2.366 3 4 0 -14.9294621899781 16188853 C1CCN(CC1)CC(=O)NC2=CC(=CC=C2)Cl.Cl Cl- 1 2.538 2 1 -1.84695939360357 16188852 C1CC2=C(C3=CC=CC=C31)ON=C2C(=O)NC4=C(N=CC=C4)Cl 1 3.63 3 2 -5.60465212229652 16188851 CC(=O)C1=CC=C(C=C1)NC(=O)C2=NOC3=C2CCC3 1 2.164 2 3 -14.7152072998165 16188850 CCCC1=CC(=NO1)C(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)C 1 4.024 4 2 -11.8223327477163 16188849 CCCC1=CC(=NO1)C(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)F 1 3.204 4 2 -10.6403233665511 16188848 CCC1=C(SC(=C1C#N)NC(=O)C2=NOC(=C2)C(C)C)C 1 3.525 3 2 -18.5709625799648 16188847 CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=NOC(=C3)C4CC4 1 3.12 4 2 -17.6147170222735 16188846 COC1=C(C=C(C=C1)CCNC(=O)C2=NOC(=C2)C3CC3)OC 1 2.695 2 4 -19.3207596856688 16188845 CC1=CC(=NO1)C(=O)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Cl)C 1 2.968 4 2 -11.7733316201974 16188844 COC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CO3 1 2.685 2 4 -3.97562647387566 16188842 CC1=CC(=CC(=C1Cl)C)OCCCCCN2C=CN=C2.Cl Cl- 1 4.29 2 1 4.98641176676244 16188841 CC(C)OC(=O)NCCOC(=O)NC1=CC=CC=C1Cl 1 2.819 2 4 -10.6782151699932 16188840 CC12CC(C3=CC=CC=C3O1)C(=C(N2)O)C(=O)/C=C/C4=C(C(=C(C=C4)OC)OC)OC 1 3.494 1 6 0 -5.9276740582249 16188839 CCN(CC)CCCNC(=O)CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCC(CC3)C 1 3.195 5 2 0 -15.7438647210349 16188838 COC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3C=C(C(=N3)C(=O)OC)[N+](=O)[O-])C(F)(F)F)OC 1 4.262 5 6 0 -3.37224809527016 16188837 CCN(CC)C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2C(C)C 1 4.598 4 0 -7.78454550781162 16188836 CC\1=NOC(=O)/C1=C\C2=CC=C(O2)C3=CC=CC=C3Br 1 3.666 1 3 7.48193625067267 16188835 CCCOC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)C(=O)OCC.Cl Cl- 1 2.889 2 4 -1.00621516373871 16188834 CCOC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4CCCO4 1 2.467 2 4 -15.2426314178655 16188833 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)C 1 4.447 2 3 4.40856673386846 16188832 CC1=C(C=CO1)C(=O)N2CCCC(C2)CCC(=O)NCC3=CC(=C(C=C3)F)F 1 2.937 2 3 -18.4505384223042 16188831 CC(CC1=CSC=C1)NC(=O)CCC2=NN=C(O2)CCC3=CC=CC=C3OC 1 3.232 3 3 -28.2269712720509 16188830 C1CC(CN(C1)C(=O)CCN2CCCO2)C(=O)C3=CC=CC4=CC=CC=C43 1 2.079 2 3 -7.58815464686432 16188829 CC1=C(N=C(O1)C2=COC=C2)CN(CC3CC3)CC4=CC=CC=C4 1 3.594 2 2 12.5677999878573 16188828 CC(C)N(CC1=NC=CN1C)C(=O)CC2C(=O)NCCN2CC3=CC=CC=C3C(F)(F)F 1 1.969 5 2 0 -31.9820481567201 16188827 CC(C)CN1CCN(CC1CCO)CC2=CC=C(C=C2)NC(=O)C 1 1.724 3 2 0 -4.33170679265867 16188826 COC1=CC(=C(C=C1)C2=C(C=NN2)CN(CCO)CC3=CC=CS3)F 1 3.13 3 2 6.16153275243918 16188825 CN1CCN(CC1C2=CC=CC=C2)CC3=CN(N=C3C4=CC=CC=C4F)C 1 4.275 4 0 15.888523171401 16188824 CC(C)CN1CCN(CC1CCO)CC2=CC=C(C=C2)C#CC(C)(C)O 1 3.172 2 2 -0.681001866414638 16188823 CCN(CCN1C=CC=N1)C(=O)C2=NOC(=C2)COC3=CC=CC4=C3N=CC=C4 1 2.605 5 3 0 -22.5378852046987 16188822 C1CC(OC1)CN(CC2=CC=CC=N2)CC3=NC(=NO3)CC4=CC=CC=C4F 1 2.734 4 2 -10.4671516811439 16188821 CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C3CCSCC3 1 4.067 1 1 12.7498838664203 16188820 CC(C)N1CCN(CC1CCO)CC2=CC=CN2C3=NC=CS3 1 2.09 4 1 -3.04983982197094 16188819 CC1=C(OC=N1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 2.668 2 3 -6.2274306448103 16188818 C[C@@H]1CN(C[C@@H](O1)C)CC2=NC(=NO2)CC3=CC=CC=C3F 1 2.17 3 2 -10.2105250706912 16188817 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CC=C3)/N=C2SC 1 4.317 2 2 -10.2404988925771 16188816 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Br)C 1 2.105 6 4 0 -23.9903136289599 16188815 CC1=C(C(=NN1)SCC(=O)NC2=CC=CC=C2SC)[N+](=O)[O-] 1 2.573 4 3 0 -14.3084286878498 16188814 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C 1 4.268 2 3 -2.01375624254665 16188813 CC1=CC=C(C=C1)C2=NC3(CCCC3)NC2=S 1 3.616 2 0 5.2882790861967 16188812 C1CCCC2(CC1)NC(=S)C(=N2)C3=CC=CC=C3 1 4.043 2 0 4.45929415571342 16188811 C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CSC=C3)/NC2=S 1 3.274 2 1 -3.95094316198438 16188809 COC1=C(C=C(C=C1)C2=C(N3C=CC4=CC=CC=C4C3=N2)CN5CCOCC5)OC.Cl Cl- 1 3.369 3 3 -4.58457244003437 16188808 COC1=C(C=C(C=C1)C2=C(N3C=CC4=CC=CC=C4C3=N2)CN5CCCCC5)OC.Cl Cl- 1 4.598 3 2 -2.18596622912228 16188807 CC1=CC=C(C=C1)C2=C(N3C=CC4=CC=CC=C4C3=N2)CN5CCCCC5.Cl Cl- 1 5.117 3 0 1.85493770366986 16188806 C1CCC(CC1)[N+]2=CC(=N)O[N-]2.Cl Cl- 1 1.703 3 1 0 -0.727324443205933 16188805 CCCCC1=NC=C(N1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)SC 1 4.262 3 1 8.68299690400327 16188804 C1CN(CCN1CC2=NC(=NO2)C3=CC=CC=C3)C4=NC=CN=C4 1 0.734 6 1 0 7.97741465938832 16188803 CN1C=C(C(=N1)C2=CC=CC=C2)[C@@H]3C[C@H]4CN(C(=O)[C@@]45N3CCC5)CC6=CC(=CC=C6)Cl 1 4.52 4 1 12.4601303149799 16188802 CC1=CSC(=N1)CN(C)C(=O)CC2C(=O)NCCN2CC3=CC=C(C=C3)C4=CC=CC=C4 1 2.464 4 2 -30.7796057428842 16188801 CCN(CC1=CC=NC=C1)CC2=NC(=NO2)CC3CC3 1 1.607 4 1 0 -2.17052423848269 16188800 CC1=CC=CC=C1N2C(=C(C=N2)C(C)NC(=O)CC=C)C 1 2.925 3 1 -14.4205888729634 16188799 COC1=C(C=C(C=C1)F)C(=O)C2CCCN(C2)C(=O)CCN3CCCCO3 1 1.939 2 4 0 -11.3451983310177 16188798 COC(=O)C1CCN(CC1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5 1 5.006 3 3 4.91823433641447 16188797 COC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)C3=CC(=CC=C3)N4C=CC=N4 1 3.465 3 3 -1.81404684699598 16188796 CC(C)CCOC(=O)C[N+](C)(C)CCOC1CC2CCC1(C2(C)C)C.[Cl-] Cl- 1 2.455 1 3 -7.79385560696353 16188794 CC[N+]1=C(SC2=C1SC(=C2C)C)/C=C\3/N(C4=CC=CC=C4S3)CCCS(=O)(=O)[O-] 1 3.15 2 3 2.06309530285595 16188793 CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C=C(S3)C4=CC=CC=C4C)C.[I-] I- 1 6.561 2 0 9.32968454529997 16188792 CC1=CC(=CC(=C1OC)C)C(=O)C2CCCN(C2)C(=O)C3=CC(=NC(=N3)C)C 1 3.099 3 3 -10.7044061728581 16188791 COC1=C(C=C(C=C1)CC2=NOC(=N2)CN3CCN(CC3)C4CCC5=CC=CC=C5C4)OC 1 3.91 4 3 0 -4.66548664391848 16188790 CCC1=NC(=C(N1)C)CN2CCC(CC2)(CC3=CC(=CC=C3)F)C(=O)OCC 1 3.866 3 2 11.4195686502698 16188789 C1CC(CN(C1)CC2=NC3=C(C=C2)C=C(C=C3)F)(CC4=CC(=CC=C4)Cl)CO 1 5.082 2 1 22.4306516025533 16188788 C1C[C@@]23[C@@H](C[C@H](N2C1)C4=CC5=CC=CC=C5O4)CN(C3=O)C6=CC=CC=C6 1 3.74 2 2 3.04926647828304 16188787 C1CN(C(C(=O)N1)CC(=O)NCCCN2C3=CC=CC=C3C=N2)CC4=COC=C4 1 0.889 5 3 0 -42.5018328497724 16188786 COCC(=O)N1CCCC(C1)C(=O)C2=C3C=CC=C4C3=C(CC4)C=C2 1 2.836 1 3 -0.129130393201427 16188785 CN(CC1=NC2=CC=CC=C2N1)CC3=NC(=NO3)CC4CC4 1 2.118 5 1 -1.83100051854702 16188784 CCC1=NN(C(=C1)C(=O)N2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C)C 1 3.855 3 3 -13.9735160129177 16188783 C1=CC=C(C=C1)CCC2=NN=C(O2)CCC(=O)NC(C3=CN=CC=C3)C(F)(F)F 1 2.773 4 2 -31.7481175587673 16188782 CC1=NN=C(O1)SCC(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)Cl 1 2.489 3 3 -12.0509821161928 16188781 CCN(CC1CCCO1)C2=NC3=NON=C3N=C2NCCOC 1 2.3e-002 6 3 0 -25.7512408933714 16188780 CC1=CC=C(S1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.016 4 2 -12.6169785497724 16188779 C1CSCCN1CC2=C(NN=C2)C3=CC4=CC=CC=C4O3 1 3.184 3 1 6.34832957164893 16188778 CC1=CC(=NO1)C2=NN=C(O2)CCC(=O)N[C@H](C)C3=CC=C(C=C3)OC 1 1.786 4 4 0 -27.8448498313333 16188777 CCN(CC1=CN(N=C1)C)CC2=NC(=NO2)CC3=CC=CC=C3Cl 1 2.768 5 1 -4.07306980847395 16188776 COC1=C(C=C(C=C1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)Cl)CN4C=CC=N4 1 4.796 3 2 3.3651757050006 16188775 CC1=CC2=C(C=C1)NC(=C2C)[C@@H]3C[C@H]4CN(C(=O)[C@@]45N3CCC5)CC6=CC=CC=C6OC 1 4.693 3 2 4.95969089025371 16188774 CN1C=C(C=N1)CN2CCC(CC2)(CC3=CC=C(C=C3)OC)CO 1 2.31 3 2 12.7149759631299 16188773 CC(C)N(CC1=NC=CN1C)CC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 2.747 5 1 8.32097753031853 16188772 CC1=C(C=CC(=C1)C2=NC(=C(O2)C)CN3CCN(CC3)C4=NC=CC=N4)OC 1 2.308 5 2 0 20.4840067188434 16188771 C1CN(C(C(=O)N1)CC(=O)NCCN2C=CC=N2)CC3=CC(=C(C=C3)F)F 1 0.934 5 2 0 -35.7480289796482 16188770 C1CCC(C1)N2CCN(CC2)CC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 4.375 4 1 -3.92482039062152 16188769 CCN(CCN1C=CC=N1)C(=O)CCC2=NN=C(O2)CC3=CNC4=CC=CC=C43 1 1.995 6 2 0 -28.2905198080324 16188768 C1CN(C(C(=O)N1)CC(=O)N(CCO)CC2=CC=CC=C2)CC3=COC=C3 1 0.579 3 4 0 -35.855329689859 16188767 COC1=C(C(=CC=C1)OC)CN2CCCC(C2)C(=O)C3=CC=CC=C3SC 1 4.423 1 3 -1.50377432183368 16188766 CN1C=CN=C1CN(C)CC2=CN(N=C2C3=CC=CC=C3F)C 1 2.575 5 0 10.3627707742004 16188765 CC(C)CC1C2=C(CCN1C(=O)CCC(=O)N(C)C)C3=CC=CC=C3N2 1 2.954 3 2 -26.7755049117756 16188764 C1CCN(CC1)CC(COC2=CC=C(C=C2)CNCCC3=CC=C(C=C3)C(F)(F)F)O 1 4.743 2 2 1.35218050515899 16188763 CC1=CC(=NC(=N1)N2CCCC(C2)CCC(=O)NCC3=CC(=C(C=C3)F)F)C 1 3.123 4 1 -13.1366886692046 16188762 CC1CN(CCN1CC2=NC(=NO2)CC3=CC(=CC=C3)F)C4=CC=C(C=C4)OC 1 3.717 4 2 -2.33658098592823 16188761 CC1=CC(=C(O1)C)C2=NN=C(O2)CCC(=O)N3CCN(CC3)CC4=CN=CC=C4 1 0.804 5 3 0 -18.0211067811904 16188760 CC1=NN(C=C1)CC(=O)N2CCCC(C2)C(=O)C3=CC=CC4=CC=CC=C43 1 2.947 3 2 -9.65906478333048 16188759 CN(CCCCN1CCOCC1)CC2=NC(=NO2)C3=CC4=C(C=C3)OCO4 1 1.723 4 4 0 4.29584264025254 16188758 C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC3=NC(=NO3)C4=NC=CN=C4 1 1.151 5 2 0 6.29588503995809 16188757 CC1=NC(=CS1)CN(C)CC2=NC(=NO2)CC3=CC(=CC=C3)F 1 2.242 4 1 -4.95805353790282 16188756 CN(CCC1CCCCO1)CC2=NC(=NO2)C3=CC=C(C=C3)OC 1 2.347 3 3 -1.69407875176007 16188755 C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4F)CCCN5C=CC=N5 1 4.635 4 0 -12.2596637284093 16188754 CC(C1=NOC=C1)N(C)C(=O)CCC2=NN=C(O2)CCCCC3=CC=CC=C3 1 3.159 4 3 0 -15.4806503324966 16188753 COC1=CC=CC=C1/C=C/CN2CCCC(C2)CCC(=O)NCC3=CC=CC=C3F 1 4.593 2 2 -10.2192354225149 16188752 C1CC(CN(C1)CC2=NC(=NO2)CC3CC3)COC4=CC=CC=C4F 1 3.219 3 2 2.51436349481033 16188751 CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=CN=C(S3)C 1 3.148 2 1 3.36307024250436 16188750 CCCN1C(=C(C=N1)CN2CCC(CC2)(CC3CCCCO3)CO)C 1 2.44 3 2 0.720735208145062 16188749 CCN1C(=C(C(=N1)C)CNC(=O)CCC2=NN=C(O2)CC3=CNC4=CC=CC=C43)C 1 2.152 6 2 0 -27.4018062785466 16188748 C1CN(CCC1(CCOC2=CC=CC=C2)CO)CC3=NC4=C(C=CC=C4F)C=C3 1 4.197 2 2 11.4467580986036 16188747 C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)OCCO3)CCC(=O)NCC4=CC=CC=C4F 1 3.268 2 4 -23.5783117529825 16188746 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CN(CC=C)C3CCS(=O)(=O)C3 1 2.178 2 5 0 -8.58057185604276 16188745 CN(CCC1=CC=CC=N1)C(=O)CCC2CCCN(C2)C(=O)CN3CCCCCC3 1 2.51 4 2 -18.2446740466464 16188744 CC(=O)C1=CC(=CC=C1)CN2CCCC(C2)CCC(=O)NCC3=CC=CC=C3F 1 3.881 2 2 -13.6773848690445 16188743 CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)C(=O)CCC3=NNC(=O)CC3 1 1.486 3 4 0 -17.6770632149769 16188742 COCC1=CC=C(O1)C(=O)N2CCCC(C2)CCC(=O)NCC3=CC=CC=C3F 1 2.759 2 4 -22.8095736351419 16188741 CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CCCC3C4=CC=C(C=C4)F 1 4.851 2 1 19.9357941847645 16188740 COC1=CC(=C(C=C1)CN2CCC(CC2)(CC3=CC=CC=C3C(F)(F)F)CO)F 1 4.807 1 2 13.5601041722281 16188739 C1CN(CC1C2=CC=CC=C2F)C(=O)C3=NOC(=C3)COC4=C(C=CC=C4F)F 1 4.2 2 3 -12.0984669023071 16188738 CCN1CCN(CC1)C(CC(C)C)C2=NN=NN2CS(=O)(=O)C3=CC=C(C=C3)C.Cl Cl- 1 3.072 6 2 0 -21.9253651140436 16188737 CC1=C(SC=C1)C(=O)N2CCC(CC2)(CC3=CC=CC=C3)CO 1 3.456 1 2 0.427190345981393 16188736 C1CC(CN(C1)CC2=NC=CN2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3 1 3.504 3 1 7.90900160055837 16188735 CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)C3CSCCSC3 1 3.876 1 2 9.62345628486774 16188734 CCC1C(=O)NCCN1CC2=C(OC(=N2)C3=CC=C(S3)C)C 1 2.071 3 2 -8.92269271331402 16188733 C1COCCC1C(=O)N2CCC(CC2)(CCC3=CC=CC=C3)CO 1 2.165 1 3 0.753285719879159 16188732 CC1=CC=C(O1)CN2CCNC(=O)C2CC(=O)N(CC3=C(N(N=C3C)C)C)C4CC4 1 0.909 5 3 0 -26.5189211719918 16188731 CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)CCC3=CN=CC=C3 1 3.137 2 2 -14.0761738735789 16188730 CC(C)C1=CSC(=N1)CN2CCC(CC2)N3CCC(CC3)C(=O)NCC4CCCO4 1 2.114 4 2 -4.71396807319209 16188729 C1CC2CN(CCN2C1)C3=NC4=NON=C4N=C3N5CCSCC5 1 0.531 7 1 0 -7.76205845877496 16188728 CC1=C(C=NN1C)[C@@H]2C[C@H]3CN(C(=O)[C@@]34N2CCC4)CC5=CC(=CC=C5)Cl 1 2.718 4 1 5.72054567824766 16188727 CC1=C(C(=CC=C1)N2CCC(CC2)N3CCN(C(C3)CCO)C4CCCCC4)C 1 4.442 3 1 8.90310201207726 16188726 C1CN(CCC1(CC2=CC=CC=C2)CO)CC3=CC4=CC=CC=C4O3 1 4.058 1 2 16.6543345109064 16188725 CC1=C(OC=N1)C(=O)N2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C 1 2.436 2 4 -13.4973688839942 16188724 CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C34CC5CC(C3)CC(C5)(C4)C.[Br-] Br- 1 5.892 1 3 -1.69953232522157 16188723 CC(=O)NC1=CC=C(C=C1)OCCC[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.249 2 2 -0.642606613391409 16188722 CN(CC1COCCO1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)OC 1 1.71 3 4 0 -1.93844692777431 16188721 COC1=CC=CC(=C1)C(=O)C2CCCN(C2)CC3=CC4=NSN=C4C=C3 1 4.026 3 2 9.84824830254698 16188720 CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)CN(CC=C)C3CCS(=O)(=O)C3 1 3.289 3 2 -5.61607285806074 16188719 C1CN(C(C(=O)N1)C2=CC=C(C=C2)F)C(=O)CCC3=NN=C(O3)C4=CSC=C4 1 1.484 4 3 0 -27.0938813225744 16188718 CC1=C(NC2=C1C=C(C=C2)OC)CN3CCC(CC3)(CCOC4=CC=CC=C4)CO 1 4.431 2 3 22.8274189143472 16188717 CC1=C(N=C(O1)C2=CC=CC3=CC=CC=C32)CN4CCN(CC4)C5=NC=NC6=CC=CC=C65 1 4.101 5 1 24.1036216158932 16188716 CC1=CC(=CC=C1)CC2=NN=C(O2)CCC(=O)N(C)C3CCOC3 1 1.319 3 3 0 -18.643431696174 16188715 C1CC(CN(C1)C2=NC=CC=N2)CCC(=O)NCC3=CC(=C(C=C3)F)F 1 2.558 4 1 -10.7958140946417 16188714 CC1=CC(=CC(=C1OC)C)C(=O)C2CCCN(C2)CC3=CC=CC=N3 1 3.935 2 2 3.94631426101341 16188713 C1CCC(C1)N2CCN(CC2CCO)CC3=CN=C(S3)C4=CC=CC=C4 1 3.273 3 1 9.90545902167448 16188712 CC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=C(NN=C3)C4CCCCC4 1 4.198 4 1 2.64331889386757 16188711 CC(C)CCN1CCN(CC1CCO)CC2=CC=C(C=C2)SC 1 3.534 2 1 3.91008762042588 16188710 CC(C)CCN1CCN(CC1CCO)CC2=NC3=C(S2)CCCC3 1 3.032 3 1 -2.98110106694581 16188709 CC1=NC=C(S1)CN2CCC(CC2)(CCC3=CC=CC=C3)CO 1 2.926 2 1 13.9192733907483 16188708 CN(CC1=C2C=CC=NC2=C(C=C1)OC)CC3=NC(=NO3)CC4=CC(=CC=C4)F 1 3.48 4 2 0.376329789298412 16188707 CN(CC1=CC(=CC=C1)N2C=CC=N2)C(=O)CCC3=NN=C(O3)C4CCCCC4 1 3.291 5 2 0 -12.4981559366268 16188706 CC(C1=NOC=C1)N(C)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)OC 1 2.861 4 3 0 0.7137188789702 16188705 CCOC1=CC=C(C=C1)CN2CCN(CC2CCO)C/C=C/C3=CC=C(C=C3)OC 1 3.779 2 3 6.70166378708372 16188704 CC1(CC(=O)C=C(O1)C(=O)N2CCCC(C2)CCC(=O)NCC3=CC(=CC=C3)OC)C 1 2.144 2 5 0 -33.4914231158214 16188703 CN(CCC1CCCCO1)CC2=NC(=NO2)C3=CC=C(C=C3)C(=O)OC 1 2.219 3 4 0 -5.68496561250799 16188702 C1CCN(C1)C(=O)C2CCN(CC2)C3CCN(CC3)CC4=NC5=C(C=C4)C=C(C=C5)F 1 2.968 4 1 5.07942661691615 16188701 COCCN1CCN(CC1)C(=O)CCC2=NN=C(O2)CCC3CCCCC3 1 2.009 4 3 0 -15.5801890956015 16188700 CCOC(=O)N1CCC(CC1)N2CCN(C(C2)CCO)CC3=CC=C(O3)C 1 1.102 3 4 0 -1.24639201055156 16188699 COCC1CCN(C1)CC2=NC(=NO2)C3=CC=CS3 1 1.409 3 2 0 1.86201065097224 16188698 CC1=CC=CC=C1CC2(CCCN(C2)C(=O)C3=C(C=CC(=C3)Cl)F)CO 1 4.508 1 2 6.56333568919486 16188697 CN(CC1=CC=CC2=C1C=CN=C2)C3=NC4=NON=C4N=C3NCCOC 1 0.656 7 2 0 -16.6040168434757 16188696 C1CC(CN(C1)C(=O)C2=CC=NC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 3.623 2 2 1.98809323599476 16188695 C1CC(CN(C1)CC2=CC=CN2C3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5 1 3.486 3 3 -8.2840662627622e-002 16188694 CN(CC1=CC=C(C=C1)N2C=CC=N2)CC3=NC(=NO3)C4=NC=CN=C4 1 1.424 7 1 0 5.08589365894004 16188693 CCN1CC(CC1=O)CN(C)CC2=NC(=NO2)C3=CC=CS3 1 1.081 4 2 0 -1.42263355020757 16188692 C1CCN(C1)C2=NC=C(S2)CN3CCC(CC3)(CCC4=CC=CC=C4)CO 1 3.211 3 1 14.8725157370748 16188691 CC1=C(SC=C1)C2=NC(=C(O2)C)CN(C)C(C3CC3)C4CC4 1 4.195 2 1 9.75112341725082 16188690 COC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)NC3=CC=CC=C3F 1 3.352 2 3 -6.33385220858709 16188689 C1CN(CCN(C1)C2=NC3=CC=CC=C3S2)CC4=NC(=NO4)C5=NC=CN=C5 1 1.311 7 1 0 5.39472728810407 16188688 C1CCN(C(C1)CCN2C=CN=C2)C(=O)CCC3=NN=C(O3)C4=CSC=C4 1 1.431 5 2 0 -15.2711806165465 16188687 CCN1C(=C(C(=N1)C)CN2CCCC(C2)(CC3=CC=CC=C3)CO)C 1 3.238 3 1 11.9914701191216 16188686 CC1=C(N=C(O1)C2=CC=CS2)CN3CCC(CC3)C(=O)N4CCCC4 1 2.387 3 2 6.92361735233319 16188685 CC1=C(N=C(O1)C2=CC(=CC=C2)F)CN3CCCCC3CCC4=CC=CC=N4 1 4.455 3 1 17.0173250704554 16188684 CC1=C(N=C(O1)C2=CC=C(C=C2)C3=CC=CC=C3)CN4CCN(CC4)CC(=O)N(C)C 1 2.828 4 2 14.2190978889506 16188683 COC1=CC(=CC(=C1)CN2CCNC(=O)C2CC(=O)NCCC3=CCCCC3)OC 1 2.52 3 4 0 -40.2711611071375 16188682 CC1=CC=C(C=C1)OCCN(C)C(=O)CC2C(=O)NCCN2CC(C)(C)C 1 2.431 3 3 -33.8668743546735 16188681 CN1CCNC(=O)C1CC(=O)NCCC2=CC=CC=C2F 1 0.752 3 2 0 -33.2184874545295 16188680 CC1=CC(=NC(=N1)N(C)C)N2CCCC(C2)CCC(=O)NCC3=CC(=CC=C3)OC 1 2.494 5 2 0 -16.660278339639 16188679 C1CC(CN(C1)C(=O)C2CCOCC2)C(=O)C3=CC4=C(C=C3)OCO4 1 1.716 1 5 0 -7.14780853499147 16188678 CC1=C(SN=N1)C(=O)N2CCCC(C2)C(=O)C3=CC=CC=C3OC 1 2.357 3 3 -12.4953822804171 16188677 C1CC(CN(C1)CC2=NOC=C2)C(=O)C3=CC=CC4=CC=CC=C43 1 3.492 2 2 6.65131129711741 16188676 CC1=C(C(=NO1)C)CC(=O)N2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)OC 1 2.361 2 4 -14.829476347454 16188675 CCOC(=O)C1(CCN(CC1)CC2=CC3=C(C=C2)OCCO3)CCOC4=CC=CC=C4 1 4.184 1 5 4.95384143529466 16188674 CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)N3C=CC=N3)CCOC4=CC=CC=C4 1 4.625 3 3 11.3056146087291 16188673 CCOC(=O)C1(CCN(CC1)CC2=CC=C(O2)C)CCOC3=CC=CC=C3 1 3.726 1 4 6.90383840469776 16188672 CCOC(=O)C1(CCN(CC1)C(=O)CC2CCC(=O)N2)CC3=CC=C(C=C3)OC 1 1.736 2 5 0 -9.17661634161495 16188671 CC(=O)C1=CC(=CC=C1)CN2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4 1 3.422 1 4 2.83801105513846 16188670 CC1=CSC(=N1)CN(C)C(=O)CC2C(=O)NCCN2CC(C)(C)C 1 0.828 4 2 0 -37.3206992753969 16188669 CCOC(=O)C1(CCCN(C1)CC2=CC=CC=N2)CC3=CC=CC=C3 1 3.684 2 2 4.20682229228365 16188668 CCOC(=O)C1(CCN(CC1)CC2=C3C(=CC=C2)OCO3)CCC4=CC=CC=C4 1 4.709 1 4 10.2986393719916 16188667 CC(=O)NC1=CC=C(C=C1)CN2CCN(C(C2)CCO)CC3=CC(=C(C=C3)F)F 1 2.527 3 2 -3.45587244353804e-002 16188666 CCOC(=O)C1(CCN(CC1)CC2=CC=C(O2)COC)CC3=CC=CC=C3 1 3.549 1 4 4.71970042412558 16188665 CCOC(=O)C1(CCN(CC1)C(=O)CC2=NON=C2C)CCCC3=CC=CC=C3 1 3.288 3 4 0 -9.056362045256 16188664 CCOC(=O)C1(CCN(CC1)C(=O)C2CCCO2)CCC3=CC=CC=C3 1 2.95 1 4 -9.96179431870898 16188663 CC1=CN2C=C(N=C2C=C1)C(=O)N3CCC4=C(C3C5=CC=CC=N5)NC6=CC=CC=C46 1 3.925 5 1 -14.0465314294484 16188662 CCOC(=O)C1(CCN(CC1)CC2=CN(N=C2)C3=CC=CC=C3)CC4=CC=CC=C4 1 4.711 3 2 12.588929272402 16188661 CCOC(=O)C1(CCN(CC1)C(=O)C2=C(N=CO2)C)CCCC3=CC=CC=C3 1 3.209 2 4 -8.0878072928746 16188660 CC(C)CC1C2=C(CCN1C(=O)C3=NC=CN=C3)C4=CC=CC=C4N2 1 3.116 4 1 -22.4326339702795 16188659 CC1=C(C=CC(=C1C)OC)C2C3=C(CCN2CCCN4C=CC=N4)C5=CC=CC=C5N3 1 5.385 4 1 -9.27461660963954 16188658 CCN1C=CN=C1CN2CCCC(C2)(CC3=CC(=CC=C3)OC)C(=O)OCC 1 3.239 3 3 4.08943687054447 16188657 CCOC(=O)C1(CCN(CC1)CC2=CC3=C(C(=C2)OC)OCO3)CCOC4=CC=CC=C4 1 4.15 1 6 0 5.33511231553206 16188656 CCN(CCN1C=CC=N1)CC2=C(NN=C2)C3=CC=CC4=CC=CC=C43 1 3.713 5 0 -0.195974861641288 16188655 CSC1=NC(=CS1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)Cl 1 3.887 2 2 -5.1239568641754 16188654 COC1=C(C=C(C=C1)CC2=NOC(=N2)CN3CCC(CC3)C4=CC=NC=C4)OC 1 2.539 4 3 0 -4.38522871495029 16188653 CC1=CC=C(C=C1)CN2CCN(CC2CCO)CCCN3C=CC=N3 1 2.259 4 1 1.29546583065592 16188652 COC1=CC(=C(C=C1)C(=O)C2CCCN(C2)CC3=CC4=NON=C4C=C3)OC 1 3.451 3 4 0 5.72231198264458 16188651 COC1=CC=CC=C1N2C=C(C=N2)CN3CCCC(C3)(CC4=CC(=CC=C4)Cl)CO 1 4.686 3 2 18.5504735550538 16188650 CC1=NC(=NC(=C1)C(=O)N2CCCC(C2)C(=O)C3=CC=CC4=CC=CC=C43)C 1 3.051 3 2 -7.5324523850328 16188649 C1CC(CN(C1)CC2=NC(=NO2)CC3=CC=CC=C3)C(=O)C4=CN=CC=C4 1 2.382 4 2 -3.04699567387709 16188648 CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)C(=O)C3=C(N=CC=C3)OC 1 3.097 2 4 -4.53900289574715 16188647 CN1C=C(C=N1)CN(C)CC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 2.384 5 1 8.78369695708764 16188646 COC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)CCC(=O)C3=CC=CC=C3 1 3.194 1 4 -8.27356171895543 16188645 CC1=CC(=CC(=C1OC)C)C(=O)C2CCCN(C2)C(=O)C3=CC(=CC=C3)N4C=CC=N4 1 4.437 3 3 1.15689900645034 16188644 CN(C)C1=CC=CC=C1C(=O)N2CCCC(C2)C(=O)C3=CC4=CC=CC=C4C=C3 1 4.325 2 2 -4.75657135537425 16188643 CCN1CC(CC1=O)CN(C)CC2=NC(=NO2)CC3=CC=CC=C3 1 1.162 4 2 0 -5.78730212914542 16188642 CC1=CC(=CC(=C1OC)C)C(=O)C2CCCN(C2)C(=O)C3=COC=C3 1 3.315 1 4 -6.07410579319434 16188641 COCC1=CC=C(O1)CN2CCCC(C2)(CC3=CC=CC=C3)CO 1 2.875 1 3 12.645995726485 16188640 COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C3CCCN(C3)C(=O)C4=CSN=N4 1 3.12 3 3 -7.11315993196339 16188639 CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCCC(C3)(CC4=CC=CC=C4C)CO)C 1 4.593 2 2 7.33226149591636 16188638 C1CCC(=CC1)CC(=O)N2CCC(CC2)N3CCC(CC3)C(=O)NC4CC4 1 1.982 3 2 0 -11.1436625945249 16188637 CC1=NC=C(S1)CN2CCC3=C(C2C4=C(C(=CC=C4)OC)OC)NC5=CC=CC=C35 1 4.413 3 2 -9.6815285106174 16188636 CC(=C)CNC(=O)CCC1=NN=C(O1)C2(CCC2)C3=CC=C(C=C3)Cl 1 3.539 3 2 -27.0764765897959 16188635 CC1=CC(=CC=C1)OC2CCN(CC2)CC3=NC(=NO3)CC4CC4 1 2.916 3 2 -1.83234498384189 16188634 CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)CN(C[C@@H]3CCC(=O)N3)CC4=CC=CC=C4 1 3.479 3 3 9.70268254669216 16188633 CC(C)C(C1CCN(CC1)CC2=NC(=NO2)C3=CC=CS3)O 1 2.671 3 2 3.23175318811535 16188632 CC1=CC(=C(C=C1)N2C=CC=N2)CN3CCCC(C3)C(=O)C4=C(C=CS4)C 1 5.067 3 1 2.84524768611364 16188631 CC(C)C1=NOC(=C1)C(=O)N2CCCC(C2)C(=O)C3=CC4=CC=CC=C4C=C3 1 4.321 2 3 -6.32368175288172 16188630 CC1=CC=C(C=C1)C2(CCCC2)C3=NOC(=N3)CN4CCN(CC4)CCOC 1 3.254 4 2 1.62050866042741 16188629 CC(C1=CC(=CC=C1)OC)N(C)CC2=NC(=NO2)COC3=CC=CC=C3 1 3.266 3 3 -5.08670367237603 16188628 CN(CC1=NC=CN=C1)CC2=NC(=NO2)CC3=CC(=CC=C3)F 1 1.224 5 1 0 -6.49816783772119 16188627 CC(=O)C1=CC=C(S1)C(=O)N2CCC3=C(C2C4=CC=CC=N4)NC5=CC=CC=C35 1 4.255 3 2 -15.851985908931 16188626 CCCN(CC1CC1)C(=O)CCC2=NN=C(O2)C(C3=CC=CC=C3)OC 1 2.503 3 3 -35.066262618902 16188625 C1=CC=C(C=C1)CCCCC2=NN=C(O2)CCC(=O)N(CCO)CC3=CC=CC=C3 1 3.466 3 3 -18.8349864724013 16188624 CC(=O)C1=CC(=CS1)C(=O)N2CCCC(C2)CCC(=O)N(C)CCC3=CC=CC=N3 1 2.488 3 3 -21.4234679470462 16188623 COC1=CC=CC(=C1)CC2(CCCN(C2)CC3=CC=C(O3)CO)CO 1 2.45 1 4 14.3619602065189 16188622 CN(CCN1CCOCC1)CC2=NC(=NO2)C3=CC4=C(C=C3)OCO4 1 1.081 4 4 0 3.46438153966574 16188621 CC1=NC=C(N=C1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)C(C)(C)C 1 3.065 3 2 -5.43518174397273 16188620 CCOC(=O)C1(CCN(CC1)C(C)CCN2C=CC=N2)CC3=CC=C(C=C3)Cl 1 4.304 3 2 1.97540329516765 16188619 CC1=NC=C(C=C1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)SC 1 2.929 2 2 -2.537928685333 16188618 COC1=CC(=CC(=C1)CN2CCNC(=O)C2CC(=O)N3CCCCO3)OC 1 0.705 3 5 0 -35.5211707340331 16188617 CCOC(=O)C1(CCN(CC1)C(=O)C2=CCCC2)CC3=CC=C(C=C3)OC 1 3.775 1 4 -3.19783939837806 16188616 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)CCC4=CC=CC=C4)O 1 3.193 2 3 -4.22568888557526 16188615 COC1=C(C=C(C=C1)F)C(=O)C2CCCN(C2)C(=O)CSC3=CC=CC=N3 1 3.226 2 3 -8.52958184223303 16188614 CC1=CC=C(S1)C(=O)N2CCC(CC2)N3CCC(CC3)C(=O)NCC4CCCO4 1 1.492 3 3 0 -14.1448390689964 16188613 COC1=CC(=C(C=C1)CNC(=O)CCN2C3=CC=CC=C3OC2=O)OC 1 2.404 2 5 0 -12.563731227895 16188612 CC1=CC2=C(C=C1)OCC(=O)N2C(C)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.207 2 5 0 -13.3012504577584 16188611 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)NCCC(C)C)N3CCN(CC3)C 1 2.665 5 2 0 -13.4982124142745 16188610 CCCCN(CC)CCNC(=O)CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)C 1 2.901 6 2 0 -10.6698288889008 16188609 CCCCN(C)C(=O)CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)C 1 2.619 5 2 0 -10.9484837601902 16188608 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)NCCC3=CC(=C(C=C3)OC)OC)N4CCN(CC4)C 1 2.957 5 4 0 -13.4014083252662 16188607 COC1=CC=C(C=C1)CN2CCN(C(C2)CCO)CC3=CC(=CC=C3)OC 1 2.963 2 3 3.98122277696198 16188606 C1CN(CCC1(CCOC2=CC=CC=C2)CO)CC3=CC=CN3C4=NC=CC=N4 1 3.286 4 2 11.3786558662403 16188605 CC1=CC2=C(C=C1)NN=C2C(=O)N3CCCC(C3)C(=O)C4=CC=C(C=C4)Cl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r 1 3.666 1 3 9.32693953034062 16188590 CC1=CC2=C(C=C1)N(/C(=C\C3=C[N+](=CC=C3)C)/S2)CCO.[I-] I- 1 4.032 2 1 3.60688426436049 16188589 CCC1=CN=C(C=C1)CN(C)CC2=NC(=NO2)CC3=CC=CC=C3 1 3.112 4 1 -3.96482793312689 16188588 CC(=O)NC1=CC=C(C=C1)CN2CCN(C(C2)CCO)C3CCCCC3 1 2.391 3 2 -2.65384142965994 16188587 CC1=CC(=CC(=C1)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O)C 1 3.577 1 3 -2.87608720019039 16188586 CCC1=NC2=CC=CC=C2N1CCC3=CC=CC=C3.Cl Cl- 1 4.383 2 0 -1.45862251309427 16188585 CC1=C(N=C(O1)C2=CC(=C(C=C2)F)OC)CN3CCN(CC3)C4=NC=CC=N4 1 2.027 5 2 0 19.4950275876327 16188584 C1CCC(CC1)CCC2=NN=C(O2)CCC(=O)NCC3=NOC=C3 1 2.23 4 3 0 -25.2186562400314 16188583 CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)C3CCOCC3 1 2.882 1 3 1.56792526346093 16188582 C1CCN(C1)C(=O)C2=C(N3C=CC=CC3=N2)CN4CCC(CC4)CC5=CC=CC=C5 1 3.82 4 1 -9.11161097892516 16188581 CC(=O)NC1=CC=C(C=C1)CN2CCC(CC2)(CC3=CC(=CC=C3)OC)CO 1 2.78 2 3 8.04515219335774 16188580 COC1=CC(=C(C=C1)OC)CC2=NN=C(O2)CCC(=O)NC3CCCC3 1 2.217 3 4 0 -22.4498227104992 16188579 COCC1CCN(C1)C2=NC3=NON=C3N=C2N4CCSCC4 1 5.3e-002 6 2 0 -10.2734464949881 16188578 CCOC(=O)CNC(=O)N1CCCC(C1)C(=O)C2=CC=CC=C2SC 1 2.184 2 4 -17.2086178736058 16188577 CC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=CC=CN3C4=CC=CC=N4 1 3.825 4 1 1.22302502791612 16188576 CSC1=CC=CC(=C1)CN2CCN(C(C2)CCO)CCC3=CC=CC=C3 1 3.859 2 1 8.73356138341673 16188575 COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)CNCCCN4C=CN=C4 1 3.534 5 1 22.4765341347909 16188574 COC1=C(C=C(C=C1)CN2CCNC(=O)C2CC(=O)N3CCCC3(CC=C)CC=C)OC 1 2.62 3 4 0 -34.932337005841 16188573 CC1=NC(=CC=C1)N2CCN(CC2)CC3=CN(N=C3C4=CC=CC=C4F)C 1 4.006 5 0 12.9196229057161 16188572 CC(C)CCN1CCN(CC1CCO)CC2=CC(=C(C=C2)OC)CN3C=NC=N3 1 2.526 5 2 0 -8.76025202239233 16188571 C1CC(N(C1)CC2=NC(=NO2)C3=NC=CN=C3)C4=CC=C(C=C4)F 1 1.893 5 1 0 4.48010261859601 16188570 CC1=NC(=CC=C1)CN2CCCC(C2)C(=O)C3=CC=CC=C3SC 1 3.803 2 1 -3.30274406863468 16188569 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=NC(=NO3)CC4=CC=CC=C4 1 2.891 4 2 -6.25672351560809 16188568 CC1=CC=CC=C1N2CCC(CC2)N3CCN(C(C3)CCO)CC4=CC(=CC=C4)OC 1 3.665 3 2 9.0296530321406 16188567 C1CN(C(CN1CC2=CC=C(C=C2)OC3=NC=CC=N3)CCO)CCC4=CC=CC=C4 1 3.619 4 2 5.26517387366447 16188566 CC(C)N1CCN(CC1CCO)CC2=CC=C(C=C2)C(=O)OC 1 1.994 2 3 0 -3.31154925625118 16188565 CC1=C(OC=N1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 3.245 2 3 -6.6603011301449 16188564 CC(=CCN1CCN(CC1CCO)CC2=CC=C(S2)C#CC(C)(C)O)C 1 3.477 2 2 -4.4801000711318 16188563 CC1=CC=C(O1)CN2CCN(CC2CCO)C/C(=C/C3=CC=CC=C3)/Cl 1 3.159 2 2 7.6099724362931 16188562 COCCC(=O)N1CCCC(C1)C(=O)C2=C3C=CC=C4C3=C(CC4)C=C2 1 3.084 1 3 -2.93436309531535 16188561 CC1=NC(=CC=C1)CCNC(=O)CC2C(=O)NCCN2CC3CCCCC3 1 2.009 4 2 -35.5913298801302 16188560 CC(CCN1C=CC=N1)NC(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)F 1 2.715 4 3 0 -18.1267596114735 16188559 CCOC(=O)C1(CCN(CC1)CC2=CC3=C(C=C2)OCCO3)CCC4=CC=CC=C4 1 4.727 1 4 5.29817112340989 16188558 CCC1CCCCN1C(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)C4CC4 1 3.174 2 3 -17.7605156515512 16188557 C1CC(CN(C1)C(=O)CN2C=NN=N2)CCC(=O)NCC3=CC=CC=C3F 1 0.644 6 2 0 -36.3217936493573 16188556 CC(C)NC(=O)C1CCN(CC1)C2CCN(CC2)CC3=NC4=CC=CC=C4S3 1 2.698 4 1 -3.06732586375101 16188555 CC1=C(SC=C1)C2=NC(=C(O2)C)CN3CCCC3C4=CC(=CC=C4)OC 1 4.583 2 2 16.0510677554451 16188554 CN(CCC1=CC=CC=N1)C(=O)CCC2=NN=C(O2)CCCC3=CC=CC=C3 1 2.862 4 2 -18.2978828420762 16188553 CC(C)CC(C(=O)NC1=CC=CC(=C1)C(=O)C)NC(=O)C2CCCCC2 1 3.592 2 3 -16.0344721370436 16188552 CCOC(=O)CC1=CSC(=N1)NC(=O)C(C(C)C)NC(=O)C2CCCCC2 1 3.128 3 4 0 -18.7261773805606 16188551 CC(C)C(C(=O)NCCCN1CCCCC1)NC(=O)C2CCC(CC2)C(C)(C)C 1 4.171 3 2 -22.253594660888 16188550 [B-](F)(F)(F)F.CCC1=CC2=C(C=C1)OC(=CC2=[NH+]C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=CC=C(C=C5)OC F[B-](F)(F)F 1 4.888 3 3 -4.24088763519155 16188549 [B-](F)(F)(F)F.CC1(CC(CC(N1)(C)C)[NH+]=C2C=C(OC3=C2C=C(C=C3)Cl)C4=CC=CC=C4)C F[B-](F)(F)F 1 4.697 2 1 0.877364463742722 16188548 CC1=CC=CC=C1N2CC([N+]3=C2CCCC3)(C4=CC=CS4)O.[Br-] Br- 1 3.711 2 1 -7.30239344636147 16188547 CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)OC 1 3.173 2 4 -26.4080303569453 16188546 CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NCC2=CC=CO2 1 3.292 2 3 -22.3705643434766 16188545 CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NC2=C(C=C(C=C2)OC)OC 1 4.071 2 4 -22.7226406797855 16188544 C1CCC(CC1)N2CCN(CC2CCO)CC3=CN=C(N=C3)C4=CC=C(C=C4)Cl 1 3.776 4 1 11.4870396493494 16188543 C1CN(CC1C2=CC=CC=C2F)CC3=NC(=NO3)COC4=CC=CC=C4 1 3.34 3 2 -1.92965754571719 16188542 CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=CC=NN3 1 2.876 3 1 1.35384217261791 16188541 CC(C)(C)CN1CCNC(=O)C1CC(=O)NCCC2=CC=CC=C2F 1 2.217 3 2 -38.0960731219318 16188540 CCOC(=O)C1(CCN(CC1)C2CCCC2)CCCC3=CC=CC=C3 1 5.216 1 2 7.16381708284491 16188539 CCOC(=O)N1CCC(CC1)N2CCN(C(C2)CCO)CC3=CC=CC=C3 1 1.775 3 3 0 -6.36044033686893e-002 16188538 CC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=CN=C(N3)C 1 1.708 4 1 0 3.70436732570236 16188537 CC1=CC=C(O1)CNC(=O)CCC2CCCN(C2)C(=O)CCC(F)(F)F 1 2.318 2 3 -24.7484550369077 16188536 CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC(CC2)(CC3=CC=C(C=C3)OC)CO 1 1.781 3 4 0 -2.02331488119154 16188535 CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)C3=CC=CC=C3SC 1 2.382 2 4 -15.8200858879511 16188534 CC(C)(C)CN1CCCC(C1)CNS(=O)(=O)C2=CC=C(C=C2)OC 1 2.884 2 3 -5.47971859437237 16188533 C1CC(CN(C1)CC2=CC=CC=C2O)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 4.615 1 2 12.9662600916421 16188532 CN1C=C(C=N1)CNC(=O)C2=CC=C(C=C2)OC3CCN(CC3)S(=O)(=O)N(C)C 1 7.e-003 5 4 0 -25.1446282943331 16188531 CC(C)(CNC(=O)C1=CC=C(C=C1)OC2CCN(CC2)S(=O)(=O)N(C)C)CO 1 0.148 3 5 0 -25.7699075437208 16188530 CN(C)S(=O)(=O)N1CCC(CC1)(CC2=CC(=CC=C2)C(F)(F)F)CO 1 1.676 2 3 0 -3.3997034515013 16188529 CN(C)S(=O)(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)N(C)C3CCCCC3 1 1.837 3 4 0 -23.2811234610878 16188528 C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)C3=NOC(=C3)COC4=C(C=CC=C4F)F 1 4.108 4 3 0 -11.3390987537397 16188527 CC(C)(CO)NC(=O)CC1C(=O)NCCN1CC(C2=CC=CC=C2)C3=CC=CC=C3 1 1.941 3 3 0 -39.7023738891616 16188526 CC(=CC(=O)N1CCCC(C1)CNS(=O)(=O)C2=CC=C(C=C2)OC)C 1 2.225 2 4 -12.3399169544919 16188525 COCCC(=O)N1CCCC(C1)CNS(=O)(=O)C2=CC=C(C=C2)OC 1 0.663 2 5 0 -17.5924883730959 16188524 CCOC(=O)CCNC(=O)N1CCCC(C1)CNS(=O)(=O)C2=CC=CS2 1 0.781 3 5 0 -25.1860755728621 16188523 CCOCCCNC(=O)C1=CC=CC=C1OC2CCN(CC2)S(=O)(=O)C 1 0.463 2 5 0 -28.2427265748473 16188522 CS(=O)(=O)N1CCC(CC1)(CC2=CC=CC=C2C(F)(F)F)CO 1 2.085 1 3 -2.29138549330368 16188520 CC1(CC(CC(N1)(C)C)N(C)CC2=NC(=NO2)CC3=CC(=CC=C3)C(F)(F)F)C 1 3.203 4 1 -7.41087303214985 16188519 CCOC1=CC=CC(=C1O)CN2CCCC(C2)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 4.947 1 3 9.72605050629332 16188518 COC1=C(C=C(C=C1)CN2CCCC(C2)C(=O)C3=CC(=CC=C3)C(F)(F)F)O 1 4.598 1 3 13.4343971221557 16188517 CC(C)CCN1CCN(CC1CCO)CC2=CC=CC3=C2N=CC=C3 1 3.179 3 1 1.85873009275419e-002 16188516 COC1=C(C=C(C=C1)Cl)C(=O)C2CCCN(C2)CC3=CN=C(S3)N4CCOCC4 1 2.867 3 3 7.51703812786518 16188515 CC1=CC(=CC=C1)CC2=NN=C(O2)CCC(=O)N3CCCC(C3)CN4CCOCC4 1 1.922 4 3 0 -18.8429732990207 16188514 CC(C1CC1)NC(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)C4=CN=CC=C4 1 2.103 3 3 -18.1861305182059 16188513 CCN1C=C(C(=N1)C)CN2CCN(C(C2)CCO)CC3=C(C(=C(C=C3)OC)C)C 1 3.233 4 2 2.87084131755866 16188512 CN(C)S(=O)(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)N(CC=C)CC=C 1 1.213 3 4 0 -30.0495308053343 16188511 CC1=CC=CC(=N1)C2C3=C(CCN2C(=O)C4=CNC(=O)C=C4)C5=CC=CC=C5N3 1 2.359 4 2 -17.9609056707376 16188510 COC1=CC=CC(=C1CN2CCCC(C2)C(=O)C3=CC=CC=C3SC)O 1 4.198 1 3 2.80362345598545 16188509 C1CC(CN(C1)C(=O)C2=CNC(=O)C=C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3 1 2.57 2 3 -1.73981670806639 16188508 C=CCS(=O)(=O)N1CCCC(C1)C(=O)C2=CC(=CC=C2)Cl 1 2.662 1 3 -10.8780279790065 16188507 CCCS(=O)(=O)N1CCC(CC1)(CCOC2=CC=CC=C2)C(=O)OCC 1 2.738 1 5 -13.941459281469 16188506 CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)(CC3=CC=CC=C3)CO 1 3.206 1 3 -3.44689632295871 16188505 CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=CC(=C(C=C3)OC)O 1 4.096 1 3 5.76582800314194 16188504 CC1CCCN(C1)C(=O)C2=CC=CC=C2OC3CCN(CC3)S(=O)(=O)C 1 1.625 2 4 0 -23.1178259713622 16188503 CNC(=O)C(=O)NN=CC1=CC=C(C=C1)Br 1 1.121 3 2 0 -7.49490717222694 16188502 CC1=NN(C(=N1)C)CC(=O)N2CCCC(C2)C(=O)C3=CC=CC4=CC=CC=C43 1 2.197 4 2 -3.98253689966263 16188501 COC1=CC=CC(=C1)CC2(CCCN(C2)C(=O)C3=CC=[N+](C=C3)[O-])CO 1 1.14 2 4 0 2.03471552341484 16188500 C1COCCN1C(=O)C2=C(N3C=CC=CC3=N2)CNCCOC4=CN=CC=C4 1 0.335 5 3 0 -16.885309653123 16188499 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCC(C3)C(=O)C4=CC=CC=C4SC 1 3.805 3 2 -12.8914334748102 16188498 CN(CCC1=CC=CC=N1)C(=O)CCC2CCCN(C2)CC3=CC=CC=C3OCC=C 1 4.055 3 2 -14.9868990641716 16188497 CCN1CCN(CC1)C(C2=C(C(=CC=C2)OC)OC)C3=NN=NN3CC4=CC=CO4.Cl Cl- 1 2.164 6 3 0 -16.5704983801112 16188496 CN(CC1=NOC=C1)C(=O)CC2C(=O)NCCN2CC3=C(C=C(C=C3)OC)OC 1 0.651 4 5 0 -35.6423384844322 16188495 C1CC[N+]2=C(C1)N(CC2(C3=CC=CS3)O)C4=CC=C(C=C4)Cl.[Br-] Br- 1 3.889 2 1 -6.39970168820063 16188494 CC1=NON=C1C2CCCN2CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5 1 2.407 5 3 0 -8.41788185109565 16188493 C1CCC(CC1)NS(=O)(=O)CCN.Cl Cl- 1 0.193 2 2 0 -7.99904612058331 16188490 C1CN(CCC1(CCC2=CC=CC=C2)CO)CC3=CC=CN3C4=CN=CC=C4 1 3.936 3 1 7.82833372955789 16188489 CCOC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=C4C(=CC=C3)OCO4 1 3.096 2 4 5.68401041401339 16188488 COCC(=O)N1CCCC(C1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 2.887 1 4 -2.0047147690837 16188487 C1CC(CN(C1)C(=O)CCC2=NC=CN=C2)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 2.394 3 2 -5.50052798425169 16188486 CCOC1=C(C=C(C=C1)C2C/C(=C/3\C(=O)C4=CC=CC=C4OC3=O)/NN2C5=CC=CC=C5)OC 1 4.458 2 5 0 -6.29960249972768 16188485 CCOC(=O)C1(CCN(CC1)C(=O)CC2=NON=C2C)CCC3=CC=CC=C3 1 2.832 3 4 0 -8.84190713973092 16188484 CN1C=C(C=N1)CNCC2=CC=CC=C2OCC(CN3CCC4=CC=CC=C4C3)O 1 2.87 4 2 -7.79762223051657 16188483 COC1=CC(=C(C=C1)C(=O)C2CCCN(C2)C3CSCCSC3)OC 1 3.373 1 3 6.00145630403967 16188482 C1CCC(C1)N2CCN(CC2CCO)CC3=CN=C(S3)N4CCCC4 1 1.893 4 1 0 4.52787654615124 16188481 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=N)S2)C3=CC=C(C=C3)F)OC 1 3.952 2 3 -7.90632016209966 16188480 CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)OC3=CC=CC(=C3)C)C 1 3.787 2 3 -13.9095053532054 16188479 CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)OC3=CC=C(C=C3)Br)C 1 4.049 2 3 -14.2718103941536 16188478 CC(C)N(C1=NN=C(S1)C2=CN=CC=C2)C(=O)CCC3=CC=C(C=C3)OC.Cl Cl- 1 3.269 4 2 -7.8248105095194 16188477 CCOC(=O)CC1=CSC(=N1)NC(=O)C(CC(C)C)NC(=O)C2CCCCC2 1 3.517 3 4 0 -17.3320048576521 16188476 CC1CCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC(=CC=C3)SC 1 6.283 3 0 -6.52244005548494 16188475 CCN(CC)CCNC(=O)C1C(N(C(=O)C2=CC(=C(C=C12)OC)OC)C)C3=CC=CS3 1 2.479 3 4 0 -14.5109180376737 16188474 CCC1CCC(CC1)C(=O)NC(CCSC)C(=O)NCCN(CC(C)C)CC(C)C 1 4.601 3 2 -24.5700597273281 16188473 CC\1=NN(C(=O)/C1=C/NCC2CCCO2)C3=CC=C(C=C3)[N+](=O)[O-] 1 0.774 4 4 0 -12.5570059251432 16188472 CC1=C(C(=CC=C1)C)NC2=C(C(=O)OC2OC(=O)C3=CC=CC=C3)Cl 1 4.522 1 4 -8.35024616938984 16188471 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 2.427 4 4 0 -8.88141664279169 16188470 CCCCNC(=O)CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)C 1 2.413 5 2 0 -11.942728184225 16188469 C1CC(CN(C1)CC2=CC(=C(C=C2)O)Cl)CCC(=O)NCC3=CC=CC=C3F 1 4.564 2 2 -6.22327783008528 16188468 CC1=NN(C=C1CN2CCC(CC2)(CC3=CC(=CC=C3)OC)CO)C 1 2.592 3 2 13.3276744472259 16188467 C1CC(CN(C1)C(=O)NCC2=CC=CC=C2)CNC(=O)C3=CC4=C(C=C3)OCO4 1 2.339 3 4 0 -15.5710351286526 16188466 CCOC(=O)N1CCN(CC1)CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4 1 3.884 4 2 0.284303036414242 16188465 C1CC(CN(C1)C(=O)C2=COC=C2)CCC(=O)NCC3=CC=CC=C3F 1 2.586 2 3 -24.6299013483972 16188464 CCN1C=CN=C1CN2CCCC(C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC 1 3.442 3 2 6.49595501393693 16188463 C1=CC2=C(C=C1N)NC(=N2)CCCC(=O)O.Cl Cl- 1 1.161 3 2 0 -5.28416595802842 16188462 COC1=CC=C(C=C1)C(=O)NN/C=C\2/C=CC3=CC=CC(=O)C3=N2 1 1.045 3 3 0 -6.68235275685974 16188461 CC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(O3)(C)C)OC(O2)(C)C 1 -0.142 2 9 0 -34.6998326853232 16188460 CCC1CCCCN1CCCNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)CC 1 3.878 4 4 0 -24.400165394175 16188459 CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C(=O)N3C)C 1 0.816 3 4 0 -14.7941271120115 16188458 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N(CC(=O)NCCC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC 1 1.512 4 6 0 -24.3641555912167 16188457 CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)S(=O)(=O)C 1 2.091 1 4 -11.2298708718023 16188456 CCOC(=O)NN=C(C)C1=CC=C(C=C1)N2C=NN=N2 1 0.878 6 2 0 -19.5414980648327 16188455 COC1=CC(=CC(=C1OC)OC)C2=NC3=NC4=C(C(N3N2)C5=CC=NC=C5)C(=O)CCC4 1 2.073 5 4 0 -13.1973543220953 16188454 CC1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC4=C(C=C3)N(C(=O)N4C)C)/NC2=O 1 2.287 4 3 0 -9.74474447210795 16188453 COC1=CC=CC(=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)N4CCCCC4C5=CN=CC=C5.Cl Cl- 1 4.197 5 2 0 -6.17245204226914 16188452 CCC1CCCCN1C(=O)C2=CC=CC=C2OC3CCN(CC3)S(=O)(=O)C 1 2.207 2 4 -24.7776373237975 16188451 CCOC(=O)C1(CCN(CC1)S(=O)(=O)CC=C)CCOC2=CC=CC=C2 1 2.482 1 5 -13.0433310244683 16188450 CCN1CC(CC1=O)CN(C)CC2=C(OC(=N2)C3=CC=C(C4=CC=CC=C43)OC)C 1 2.619 3 3 16.4532267141731 16188449 CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=NC(=N2)C)C)CCCC3=CC=CC=C3 1 3.626 3 3 -7.31763472524863 16188448 CCN1C=C(C=N1)CN2CCCC(C2)(CC3=CC=CC=C3)C(=O)OCC 1 3.618 3 2 3.69265900631429 16188447 CC(C)N1CCNCC1.Cl Cl- 1 0.467 2 0 0 -5.28892117098988 16188446 COC1=C(C=C(C=C1)CNN2C(=NC3=CC=CC=C3C2=O)C4=CC=CS4)OC 1 3.711 3 3 -12.4915823784198 16188445 CCOC1=C(C=C(C=C1)CCNC(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C)OCC 1 3.654 5 4 0 -14.6627176567377 16188444 CCOC1=CC=CC2=C1OC3(CC2C(=C(N3C)O)C(=O)/C=C/C4=C(C(=C(C=C4)OC)OC)OC)C 1 4.362 1 7 0 -7.38916252762291 16188443 CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=CSC(=N3)NC(=O)CCC(=O)NCCN4CCCCC4C 1 3.113 4 5 0 -15.5254149129741 16188442 CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCCN4CCOCC4 1 2.877 5 4 0 -30.6451622066196 16188441 C1CN(CCN1CC2=NC(=NO2)CC3=CC(=CC=C3)F)C4=NC=CN=C4 1 0.974 6 1 0 -0.35283675443725 16188440 CN(CCC1=CC(=C(C=C1)OC)OC)CC2=NC(=NO2)CC3=CC(=C(C=C3)OC)OC 1 3.36 3 5 0 -8.67276634666852 16188439 CN1C=C(C=N1)CCN(C)CC2=NC(=NO2)CC3CC3 1 1.38 5 1 0 -2.40002271200498 16188438 C1CC(CN(C1)CC2=CC=CC3=C2C=CN=C3)C(=O)C4=CC=C(C=C4)Cl 1 4.337 2 1 12.1287924457822 16188437 CC1=CC(=C(S1)C)C2=NN(C=C2CN3CCCC(C3)COC)C4=CC=CC=C4F 1 4.66 3 1 15.1035303946738 16188436 CN(CC1=CC=CC=C1)CC(COC2=CC=C(C=C2)CNCC3=CN=CC=C3)O 1 2.995 3 2 -0.441036796621727 16188435 CC(C)CN1CCN(CC1CCO)CC2=CC=CN2C3=CC=CC=N3 1 2.947 4 1 -2.78423032037363 16188434 COC(=O)C1=CC=C(C=C1)NC2=C(C(=O)OC2OC(=O)C3=CC=CC=C3)Cl 1 3.405 1 6 0 -9.01117405779287 16188433 CC1C/C(=C\C2=CC=NC=C2)/C(=O)/C(=C\C3=CC=NC=C3)/C1 1 3.088 2 1 -0.168934979983163 16188432 C1C(N=C2N=C(NN2C1=O)N)C3=CC=CC=C3 1 0.15 5 1 0 -3.8290711907642 16188431 CC1=CN=C(C=N1)CNC(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)COC 1 -9.2e-002 4 4 0 -20.3725555899582 16188430 C1=CC=C(C(=C1)C2=NN(C=C2CNCCC3=CC=CC=N3)C4=CC=C(C=C4)F)Cl 1 5.307 4 0 16.6513662213529 16188429 CC1=C(OC=N1)C(=O)N2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)OC 1 1.915 2 4 0 -11.5327259623163 16188428 CN1C=C(C(=N1)C2=CC=CC=C2F)CN(C)CCCN3CCOCC3 1 2.594 4 1 9.63745770033623 16188427 C1CC(CN(C1)CC2=CN(N=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl 1 4.805 3 1 14.7675336350852 16188426 C1CCN(C(C1)C2=NC3=C(N2)C=C(C=C3)F)CC4=NC(=NO4)CC5CC5 1 3.376 5 1 -3.72186639401129 16188425 CN(CC1CC2=CC=CC=C2O1)CC3=C(N=C4N3C=CC=C4)C(=O)N(C)CC5=CC=CC=C5 1 4.02 4 2 -6.21565215710349 16188424 CCOCCCNCC1=CN(N=C1C2=CC=CC=C2C)C3=C(C=C(C=C3)F)F 1 4.718 3 1 8.17805527203257 16188423 CC1=CC=CC(=C1)C2=NC=C(C=N2)CN3CCN(C(C3)CCO)CC(C)C 1 2.931 4 1 11.0920566422095 16188422 CC(C)CN1CCN(CC1CCO)CC2=CC3=C(C=C2)N=CC=C3 1 2.79 3 1 1.74908199060211 16188421 CC1=NON=C1CN(C)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=CC=N4 1 1.872 5 3 0 -12.5582727535993 16188420 CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNCCN4CCOC4=O 1 4.092 4 2 8.43054586462807 16188419 CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=CC=C(O3)C 1 3.681 1 2 1.53448728933247 16188418 C1CCC(C1)N2CCN(CC2CCO)CC3=CSC=C3 1 2.476 2 1 1.55439627540352 16188417 CN(CC1=NC=CN=C1)CC2=NC(=NO2)CC3=CC=CC=C3F 1 1.224 5 1 0 -8.62460493457254 16188416 C1CC(CN(C1)C(=O)C2=CC=NC=C2)CCC(=O)NCC3=CC(=C(C=C3)F)F 1 2.537 3 2 -18.7097176576711 16188415 CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)CN4CCN(CC4)C(=O)C5=NC=NN5 1 3.816 7 1 0 17.2458171552554 16188414 CC1=CC(=C(S1)C)C2=NN(C=C2CN3CCC(CC3)O)C4=CC=CC=C4F 1 3.668 3 1 13.7555003342455 16188413 CCN1C=CN=C1CN(C)CC2=CN(N=C2C3=CC(=CC=C3)F)C4=CC=CC(=C4)C 1 4.987 5 0 22.789368123505 16188412 C1C(OC2=CC=CC=C2O1)C(=O)NCCN3C(=O)/C(=C/C4=CC(=C(C=C4)Cl)Cl)/SC3=O 1 4.106 2 5 0 -8.30963061524629 16188411 C1CCN(C1)C(=O)C2=C(N3C=CC=CC3=N2)CNCCCN4C=CC=N4 1 0.987 6 1 0 -16.8665674632309 16188410 CCCC1=[N+](C2=CC=CC=C2N1CC)CC(COC3CCCCC3)O.[I-] I- 1 4.937 2 2 2.41312169575437 16188409 COC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)CSC3=CC=CC=N3 1 3.02 2 3 -10.9828475542421 16188408 CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(S3)Br.Br Br- 1 3.285 3 1 -3.15996482198939 16188407 CCN(CC)CCSC1=NC2=CC=CC=C2C(=S)N1C3=CC=CC=C3.Cl Cl- 1 5.548 3 0 -11.4170890107525 16188406 CC(C1OCC(O1)C[N+]2(CCCCC2)C)C3=CC=CC=C3.[I-] I- 1 1.762 1 2 0 -7.09704810077859 16188405 CCC1=CC=CC2=C1NC3(CCCC3)CC2C.Cl Cl- 1 4.622 1 0 -1.37053757766259 16188404 COC1=CC=C(C=C1)C2C(CC(=O)N2C3=CC=C(C=C3)OC)C(=O)N4CCC(CC4)C(=O)N 1 1.569 3 5 0 -7.1817825610736 16188403 C1=CC=C(C(=C1)/C=C/C(=O)O/N=C(/C2=CC=NC=C2)\N)Cl 1 2.368 3 2 3.11253993926026 16188402 CCN(CCN1C=CC=N1)CC2=NC(=NO2)C3=CC=CC=C3 1 2.134 5 1 -8.69230859757865e-002 16188401 CC1=C(SC=N1)CCC(=O)N2CCCC(C2)C(=O)C3=CC(=CC=C3)OC 1 2.338 2 3 -14.73782694741 16188400 CC(C)C1=CSC(=N1)CN2CCN(C(C2)CCO)CC3=CC(=C(C=C3)F)F 1 3.467 3 1 5.38815756232053 16188399 CC1=CC=C(C=C1)N2C(=O)/C(=C/NN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)/C(=N2)C 1 2.502 4 3 0 -1.54529855995698 16188398 CC(C)(CNC(=O)CC1C(=O)NCCN1CC(C2=CC=CC=C2)C3=CC=CC=C3)CO 1 2.272 3 3 -43.8018742539079 16188397 C1CC1C(=O)N2CCC(CC2)OC3=CC=C(C=C3)C(=O)N(CCO)CC4=CC=CC=C4 1 2.399 2 4 -15.1045878056266 16188396 C1=CC=C(C(=C1)CNC(=O)CCC2=NN=C(O2)C3=CSC=C3)OC(F)(F)F 1 4.178 3 3 -20.62636952746 16188395 CCOC(=O)C1(CCN(CC1)C2CCOCC2)CC3=CC(=CC=C3)OC 1 2.726 1 4 5.80932984817842 16188394 COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)(CC3=CC=CC=C3Cl)CO 1 4.196 1 3 8.7783552153015 16188393 CC1=CC(=NN1C)C(=O)N2CCC3=C(C2C4=CC=C(C=C4)SC)NC5=CC=CC=C35 1 4.758 4 1 -12.4522781673372 16188392 C1CN(C(CN1CC2=CC=C(C=C2)OC3=NC=CC=N3)CCO)CC4=CC(=C(C=C4)F)F 1 3.709 4 2 4.00520286699605 16188391 COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C3CC4=CC=CC=C4C3)OC 1 4.306 1 3 2.77178890448299 16188390 CC1=CC=C(C=C1)CC(CC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)O 1 4.175 1 3 -0.96351091029957 16188389 CC1=C(C=NN1C)CN2CCC(CC2)(CC3CCCCO3)CO 1 1.568 3 2 0 2.53628367951916 16188388 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCC(C3)C(=O)C4=CC(=CC=C4)OC(C)C 1 3.973 3 3 -7.94390952844535 16188387 CCOC(=O)C1(CCN(CC1)CC2=CN=C(N=C2)N)CC3=CC=C(C=C3)Cl 1 3.145 4 2 11.9613204115409 16188386 CN(CCC1=CC=CC=N1)C(=O)CCC2CCCN(C2)C(=O)C3=NNC4=C3CCCC4 1 3.051 5 2 0 -21.2042715271423 16188384 CN(CCC1CCOCC1)C(=O)CC2C(=O)NCCN2CC3=COC=C3 1 0.343 3 4 0 -37.9060693260113 16188383 CC(C1=CC=CS1)N(C)C(=O)CCC2=NN=C(O2)CCC3CCCCC3 1 3.99 3 2 -14.064323343815 16188382 COC(C1=CC=CC=C1)C2=NN=C(O2)CCC(=O)N3CCN(CC3)CC4=CC=CS4 1 2.091 4 3 0 -27.0933174105752 16188381 C1CCC(C1)N2C[C@@H]3C[C@H](N4[C@@]3(C2=O)CCC4)C5=C(NN=C5)C6=CC=C(C=C6)Cl 1 3.995 4 1 5.85232185736336 16188380 CCOC1=CC=CC=C1CN2CCN(CC2CCO)CC3=CC=CC4=NON=C43 1 2.898 4 3 0 2.34072683732592 16188379 CN1CCN(CC1C2=CC=CC=C2)C(=O)C3=NOC(=C3)COC4=C(C=CC=C4F)F 1 3.752 3 3 -4.66665937424325 16188378 C#CCN(CC1=CC=CO1)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)Cl 1 4.599 2 4 -19.444537377124 16188377 COC1=CC(=CC(=C1)CN2CCNC(=O)C2CC(=O)N3CCCO3)OC 1 0.125 3 5 0 -34.9942280595374 16188376 COCCCC1CCN(CC1)CC2=C(NN=C2)C3=CC(=C(C(=C3)OC)OC)OC 1 3.372 3 4 0 -3.59094160037988 16188375 CC(C)CCN1CCN(CC1CCO)CC2=CC=C(C=C2)C(F)(F)F 1 3.935 2 1 5.30073756728836 16188374 CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(C)C4=C(N(N=C4)C)C 1 4.989 5 0 20.2451684051445 16188373 CC(C)CCN1CCN(CC1CCO)CC2=CC(=CC=C2)N3C=CC=N3 1 3.219 4 1 4.98424493669877 16188372 CC1=CC(=C(S1)C)C2=NN(C=C2CN3CCC(CC3)C(=O)N)C4=CC=CC=C4F 1 3.709 4 1 11.6597049181625 16188371 C1CC(C2=C(C1)N(N=C2)C3=C(C=C(C=C3)F)F)NC(=O)CCC4=CC=CC=N4 1 3.492 4 1 -9.79690511405985 16188370 CC1=CC=CC=C1N2C=C(C=N2)CNCC3=C(N=C4N3C=C(C=C4)Cl)C(=O)N(C)C 1 3.126 6 1 0 -8.64959486890688 16188369 C1CC(=O)N[C@@H]1CN(CC2=CC=CC=N2)CC3=NC(=NO3)C4=CC=C(C=C4)C(F)(F)F 1 2.553 5 2 0 2.59770325175117 16188368 CCOC(=O)N1CCN(CC1)CC2=C(NN=C2)C3=CC=CC4=CC=CC=C43 1 3.274 4 2 0.879481150255667 16188367 CC1=CC=C(C=C1)C2=NSC(=N2)SCC(=O)NCC3CCCO3 1 2.766 3 2 -15.214352464624 16188366 CC1=C(OC=C1)C(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC 1 2.224 2 5 0 -14.4188176252147 16188365 CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F)CC3CCCCO3 1 2.83 1 5 -19.2445367119047 16188364 COC1=CC=CC=C1/C=C/CN2CCCC(C2)(CC3=CC(=CC=C3)Cl)CO 1 4.927 1 2 19.8422168230647 16188363 COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C3CCCN(C3)C4CCOCC4 1 3.064 1 3 7.54038846892154 16188362 CC1=C(C=CC(=C1)N2C=CC=N2)CN3CCN(C(C3)CCO)C4CCCC4 1 3.527 4 1 6.81883921897722 16188360 CC1=NC(=CC=C1)CN2CCCC(C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC 1 4.153 2 2 7.64361853922797 16188359 CN(CC1=NC(=NO1)C2=NC=CN=C2)CC(C3=CC=CC=C3)O 1 0.687 5 2 0 -1.91759834135288 16188358 C1CC(CN(C1)C(=O)C2=C(C=C(C=C2)F)Cl)C(=O)C3=C(C=CC(=C3)F)F 1 4.536 1 2 -1.06304546596678 16188357 CC1=CC(=NC2=CC(=NN12)C(=O)N3CCCC(C3)C(=O)C4=CC5=C(C=C4)C=C(C=C5)OC)C 1 3.414 4 3 0 -8.08438229205863 16188356 CCOC(=O)C=C1N(C(=O)C(=CC2=CC=C(C=C2)C(=O)OC)S1)CC(=O)NC3=CC=CC=C3.Cl Cl- 1 3.082 2 6 0 -9.56348006312149 16188355 C1=CC=C(C=C1)C2=NN=C(O2)CCC(=O)NCC3=C(C=CC=C3F)F 1 2.808 3 2 -19.1315361709078 16188354 C1CC(CN(C1)CC2=C(NN=C2)C3=CC=CC=C3)(CC4=CC=CC=C4)CO 1 4.065 3 1 14.0064644250772 16188353 CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)CN4CCCC4C5=CC=CC=C5OC 1 4.575 2 4 18.9079342062422 16188352 C[C@@H]1CN(C[C@@H](O1)C)CC2=C(OC(=N2)C3=C(C=CS3)C)C 1 2.968 2 2 6.2309902945759 16188351 CC1=CC=C(O1)C2=NN(C=C2CN3CCN(CC3)C4=CC=NC=C4)C5=CC(=CC=C5)F 1 4.302 5 1 23.8159317374252 16188350 COC1=CC=CC(=C1)CN2CCC(CC2)(CC3CCCCO3)CO 1 2.756 1 3 3.14134205985719 16188349 CN1C=C(C(=N1)C2=CC=CC=C2F)CN(C)CC3=CC(=CC=C3)N4C=CC=N4 1 4.515 5 0 15.8122797357649 16188348 C1CC(CN(C1)CC2=CC=C(C=C2)OCCO)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3 1 4.868 1 3 11.6870281474899 16188347 CCOC1=CC=CC=C1CN2CCN(CC2CCO)CC3=CC=C(O3)C 1 2.655 2 3 0.225974843624916 16188346 CN(CC1=NC2=C(N1)C=C(C=C2)F)CC3=NC(=NO3)CC4CC4 1 2.323 5 1 0.256776320630396 16188345 COC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)C(=O)OC 1 3.002 2 5 0 -8.05263748360513 16188344 COC(=O)C1=CC=C(C=C1)C(=O)N2CCCC(C2)CNC(=O)C3=CC=CC=C3Cl 1 3.176 2 4 -14.8894351578251 16188343 CC[N+]1=C(C=C(N1C2=CC=CC=C2)C)C.[I-] I- 1 2.935 2 0 2.18334991265087 16188342 CC1=[N+](C2=C(S1)C=CC3=C2C=CS3)C.[I-] I- 1 3.473 1 0 -4.12767323593543 16188341 CC[N+](CC)(CC=C(C)C)CC(=O)OC.[Cl-] Cl- 1 0.835 1 2 0 -6.78315417319254 16188340 C1CC(=O)N[C@@H]1CN(CC2=CC=CC=N2)CC3=NC(=NO3)CC4=CC(=CC=C4)C(F)(F)F 1 2.588 5 2 0 -8.24144203255807 16188339 CCCCCC1(CC(OC1=O)CSC(=N)N)C(=O)OCC.Br Br- 1 2.969 2 4 -5.61080622933111 16188338 CC(=O)C1=CC(=CS1)CN2CCN(C(C2)CCO)C3CCCCC3 1 2.964 2 2 -5.41500875132815e-002 16188337 C1CCC(CC1)C2=NN=C(O2)CCC(=O)N3CCN(CC3)C4CCCCC4 1 3.297 4 2 -11.5359943901981 16188336 COC1=CC=CC(=C1OC)CN2CCNC(=O)C2CC(=O)N3CCOC4=CC=CC=C4C3 1 1.784 3 5 0 -33.7110101595201 16188335 CCN1C=C(C=N1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.432 3 1 7.59132042308669 16188334 CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 1.804 2 5 0 -8.0218387568031 16188333 C1COCCN1C(CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3 1 0.923 4 5 0 -18.1642479321656 16188332 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CC3CCCO3 1 1.229 3 5 0 -23.3058801676897 16188331 CC1=CC(=CC=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC(=C(C=C3)OC)OC 1 6.298 2 4 -12.0551282056008 16188330 CC1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=N/NC(=S)NC4=CC=CC=C4F)/C2=O 1 5.648 4 1 -4.34091639756452 16188329 CC(C)C(C#CCN1CCCCCC1)(C2=CC=CC=C2)O.Cl Cl- 1 4.404 1 1 1.25180905464461 16188328 CCOC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=CC=CN3C4=CN=CC=C4 1 3.132 4 2 -1.49364501968721 16188327 C1CCC(C1)C(=O)N2CCC(CC2)(CC3=CC=CC=C3Cl)CO 1 3.687 1 2 4.4476414559083 16188326 C1CCN(C(C1)CCC2=CC=CC=C2)CC3=NC(=NO3)C4CC4 1 3.887 3 1 -2.11853456211511 16188325 CN(CCOCC=C)C1=NS(=O)(=O)C2=CC=CC=C21.Cl Cl- 1 1.311 2 3 0 -7.79433772285602 16188324 CCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br Br- 1 3.638 4 3 0 -6.4382737767805 16188323 CCOC(=O)C1(CCN(CC1)CC2=CC=C(S2)C)CC3=CC=CC=C3 1 4.37 1 2 10.2653085852774 16188322 CC1=C(C=CO1)C(=O)N2CCCC(C2)CCC(=O)NCC3=CC(=CC=C3)OC 1 2.509 2 4 -19.703981879974 16188321 C1CN(CCN1CC2=NC(=NO2)CC3=CC=CC=C3F)C4=NC=C(C=C4)Cl 1 2.789 5 1 0.841173745776547 16188320 CN(CCC1=CC=CC=N1)C(=O)CCC2CCCN(C2)CC3=CC=CC=C3OC(F)F 1 4.26 3 2 -8.95601039449842 16188319 COC1=CC(=C(C=C1)CN2CCNC(=O)C2CC(=O)NCCC3=CNC4=CC=CC=C43)OC 1 2.39 4 4 0 -38.3665168433517 16188318 COCCC1CCCCN1C(=O)C2=CC(=CC=C2)OC3CCN(CC3)C4CCCC4 1 3.617 2 3 -8.50498969106661 16188317 CCCCN(C)C(=O)C1=C(N2C=CC=CC2=N1)CNCCCN3C4=CC=CC=C4N=N3 1 3.016 7 1 0 -22.5656565446254 16188316 CCOC(=O)C1(CCN(CC1)CC2=CSC(=C2)C(=O)C)CC3=CC=CC=C3Cl 1 4.842 1 3 6.92424734892023 16188315 CCOC(=O)C1(CCN(CC1)CC2=CC=C(S2)C)CCOC3=CC=CC=C3 1 4.284 1 3 10.2361897911014 16188314 CC1=CC=CN2C1=NC(=C2CNC3CCCC4=CC=CC=C34)C(=O)N5CCCCC5 1 4.168 4 1 -11.1164972817582 16188313 C1COCCN1CCCCOC2=CC=C(C=C2)F.Cl Cl- 1 2.487 1 2 1.34644775104427 16188312 CC1=CC2=C(C=C1C)N(C=N2)CC(COC3=CC=CC=C3)OC(=O)C.Cl Cl- 1 4.024 2 3 0.276829797269568 16188311 COC1=C/C(=C\2/C=C(NC(=C2C#N)N)C3=CC=C(C=C3)F)/C=CC1=O 1 1.622 3 2 0 -1.74070169062385 16188310 CCOC(=O)C1(CCCN(C1)CCO)CC2=CC(=CC=C2)Cl 1 3.161 1 3 8.86749549553116 16188309 CC1=CC(=CC(=N1)C)N2CCN(CC2)CC3=C(OC(=N3)C4=CC=C(C5=CC=CC=C54)OC)C 1 4.022 4 2 21.8364200898662 16188308 C1=CC=C(C=C1)C2=CC=C(C=C2)CNCCNCCO.Cl Cl- 1 1.949 2 1 0 5.34620297344517 16188307 CCOC(=O)C1(CCN(CC1)C(C)CC(C)(C)O)CC2=CC(=CC=C2)OC 1 3.368 1 4 0.965625634306005 16188305 CN1C=CN=C1C2CCCCN2CC3=NC(=NO3)C4=CC=C(C=C4)C(=O)OC 1 2.264 5 3 0 4.8238654977759 16188304 CC1=C(C=NN1C2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC=CC=N5)/O 1 1.745 5 4 0 -7.96827739768205 16188303 CSC1=CC=CC(=C1)NC(=O)N2CCCC(C2)CNS(=O)(=O)CC3=CC=CC=C3 1 2.816 3 3 -14.3576403396991 16188302 CCN(C1=CC=CC(=C1)C)C(=O)C2=CC3=C(S2)C4=C(C=CC(=C4)C)NC3=O 1 4.859 2 2 -10.7884169214967 16188301 CCC1=CN=C(C=C1)CN(C)C(=O)CCC2=NN=C(O2)CCC3=CC=CC=C3OC 1 3.084 4 3 0 -22.957221053279 16188300 CC(C)C1=NOC(=C1)C(=O)N2CCCC(C2)C(=O)C3=CC=CC=C3SC 1 3.954 2 3 -16.9555597264664 16188299 CC(C)CC(C1CCN(CC1)C(=O)CCC2=NN=C(O2)C3=CC=CC=C3)O 1 2.639 3 3 -11.6615871198643 16188298 CC1=C(C=CN=C1)CN(C)CC2=NC(=NO2)C3=CC=C(C=C3)C(=O)OC 1 2.261 4 3 0 -0.603115016786091 16188297 COC(=O)C1=CC=CC=C1C(=O)N2CCCC(C2)CCC(=O)NCC3=CC(=C(C=C3)F)F 1 3.543 2 4 -23.6212527418325 16188296 CC1=C2C(=CC=C1)NC(=N2)CN(C)CC3=NC(=NO3)CC4CC4 1 2.604 5 1 -0.50765408180785 16188295 C1CN(CCC1(CC2=CC=CC=C2)CO)CC3=CC=CC=N3 1 2.741 2 1 10.0983149923658 16188294 CN(CC1=CC=CC=N1)C(=O)CC2C(=O)NCCN2CC3=CC(=C(C=C3)OC)OC 1 1.046 4 4 0 -37.829820599035 16188293 CCOC1=CC=CC=C1CN2CCN(CC2CCO)CC3=CSC(=C3)C(=O)C 1 3.021 2 3 -1.27385816423793 16188292 CCN1C=C(C(=N1)C)CN2CCN(C(C2)CCO)CCC3=CC=CC=C3 1 2.598 4 1 2.71894515556153 16188291 CCOC(=O)C1(CCN(CC1)CC2CCC=CC2)CC3=CC=CC=C3 1 4.645 1 2 9.51650095215893 16188290 CCOC(=O)C1(CCN(CC1)C2CCCC2)CC3=CC=CC=C3C(F)(F)F 1 5.246 1 2 8.2413079692748 16188289 CC1=CC(=NN1CCNC(=O)C2=NOC(=C2)COC3=C(C=CC=C3F)F)C 1 2.703 4 3 0 -22.0595711907891 16188288 CC1=C(N=C(O1)C2=COC=C2)CN(CC3CCC(=O)N3)C(C)C 1 1.393 3 3 0 0.409456217613796 16188287 C/C=C(\C)/CN1CCCC(C1)(CC2=CC=CC=C2)CO 1 3.693 1 1 13.0449210849247 16188286 CCCN1CCN(CC1)C(=O)CCC2=NN=C(O2)CCC3CCCCC3 1 3.012 4 2 -14.8592315595392 16188285 C1COCCN1CC2=NC(=NO2)CC3=CC(=CC=C3)F 1 1.415 3 2 0 -5.59842448091626 16188284 CCC(C1CCN(CC1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5)O 1 5.59 3 2 6.85045069101395 16188283 CC(C)(C#CC1=CC=C(S1)CN2CCN(C(C2)CCO)CC3=CC(=CC=C3)OC)O 1 3.579 2 3 1.08021401040718 16188282 CC(C)C1=CSC(=N1)CN2CCN(C(C2)CCO)CCC3=CC=CC=C3 1 3.378 3 1 6.46399537090344 16188281 CC1=C(C=CC(=C1C)OC)CN2CCN(CC2CCO)CC3=NC4=CC=CC=C4S3 1 4.229 3 2 7.65273586276216 16188280 COC(=O)C1=CC=CC(=C1)C(=O)N2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)F 1 3.521 1 4 -5.91968329509538 16188279 CC1=C(N=CC=C1)CN2CCN(CC2)CC3=NC(=NO3)CC4=CC(=CC=C4)F 1 2.818 5 1 -2.53081073358649e-002 16188278 COC1=CC(=C(C=C1)OC)CC2=NN=C(O2)CCC(=O)N3CCCCC3C4=NC=CS4 1 2.306 4 4 0 -20.4023451834642 16188277 CC1=CC=C(C=C1)CN2CCN(CC2CCO)CCCC3=CC=CC=C3 1 4.259 2 1 4.96921161330224 16188276 CCN1CC(CC1=O)CN(C)CC2=CN(N=C2C3=CC(=CC=C3)F)C4=CC=CC(=C4)C 1 4.409 4 1 22.7691125189805 16188275 C1CC(CN(C1)CC2=CC3=C(C=C2)OCCO3)(CC4=CC=CC=C4)CO 1 3.597 1 3 12.8451259269686 16188274 CN1C=CN=C1SCCNC(=O)CCC2=NN=C(O2)CCCCC3=CC=CC=C3 1 3.042 5 2 0 -21.7724174313435 16188273 CC1=CC(=CC(=C1OC)C)C(=O)C2CCCN(C2)C3CCOCC3 1 3.128 1 3 3.9188499055265 16188272 CC1=C(NC2=C1C=CC=C2C(=O)N3CCCC(C3)CCC(=O)NCC4=CC(=CC=C4)OC)C 1 4.185 3 3 -16.9390061554923 16188271 CC1=NON=C1CN(C)C(=O)CC2C(=O)NCCN2CC3=CC=CC=C3C(F)(F)F 1 1.259 5 3 0 -38.8340980171934 16188270 CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNCCCN4C=CN=C4C 1 4.297 5 0 17.1272739503392 16188269 CCCCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=CC=CC=C4C=C3)CC.[I-] I- 1 7.253 2 0 14.4546930024623 16188268 CCN1C=CN=C1CN2CCCC(C2)C(=O)C3=C(C=C(C=C3)OC)OC 1 2.517 3 3 1.93066575478446 16188267 CN(CC1=C(N=C2N1C=C(C=C2)Cl)C(=O)N3CCC4=CC=CC=C4C3)C(C5CC5)C6CC6 1 4.693 4 1 -14.8780069513701 16188266 COC1=CC=CC=C1N2C=C(C=N2)CN3CCN(C(C3)CCO)C4CCCC4 1 3.024 4 2 2.76253506001697 16188265 C1CCC(C1)CCCNC(=O)CC2C(=O)NCCN2C/C=C/C3=CC=CC=C3 1 3.27 3 2 -33.9383161368129 16188264 C1C[C@@]23[C@@H](C[C@H](N2C1)C4=C5C=CC=NC5=CC=C4)CN(C3=O)CC6=CC(=CC=C6)Cl 1 4.109 3 1 7.43273226368713 16188263 CCC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCC(CC3)(CC4CC4)C(=O)OCC)C 1 4.541 2 3 -2.57630190356436 16188262 CCOC(=O)C1(CCN(CC1)C(=O)CN2CCOC2=O)CCC3=CC=CC=C3 1 2.345 2 5 0 -12.4328938557127 16188261 CCOC(=O)C1(CCCN(C1)CCO)CC2=CC=CC=C2 1 2.497 1 3 5.90170031880556 16188260 CC1=CC(=NN1)C(=O)N2CCCC(C2)CCC(=O)NCC3=CC(=CC=C3)OC 1 2.278 4 3 0 -23.0958317406565 16188259 C1=CC=[N+](C=C1)/C(=C(\C2=CC(=CC=C2)[N+](=O)[O-])/[O-])/C(=S)NC3=CC=CC=C3F 1 4.198 3 3 -6.32098979391355 16188258 C1=CC=[N+](C=C1)C\2=C(C3=CC=CC=C3C(=O)/C2=N\S(=O)(=O)C4=CC=CS4)[O-] 1 2.591 2 4 -7.77161454097052 16188256 CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)CN3CCN(CC3)C4=NC=CN=C4 1 2.412 6 0 17.6959520884603 16188255 CN1CCCC2(C1)CCCN(C2)CC3=NC(=NO3)CC4=CC(=CC=C4)C(F)(F)F 1 3.606 4 1 6.48508321260814 16188254 CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)C3=COC=C3 1 3.509 1 3 -0.461721761029152 16188253 CC1=CC=C(C=C1)C2(CCCC2)C3=NOC(=N3)CN(C)CC4=CN(N=C4)C 1 3.661 5 1 3.07957221253842 16188252 CCN1C=CN=C1CN(C)CC2=CN(N=C2C3=CC=CC=C3)C4=C(C=CC(=C4)C)C 1 5.268 5 0 14.2801674755907 16188251 CC(C)N1CCN(CC1CCO)CC2=CC=CC(=C2)C3=CC=CO3 1 3.052 2 2 7.65138777109439 16188250 CC1=NC=C(S1)CN2CCCC(C2)C(=O)C3=C(C=C(C=C3)OC)OC 1 2.676 2 3 6.42294440305381 16188249 CCOC(=O)C1(CCN(CC1)CC2=CN=C(N=C2)SC)CCOC3=CC=CC=C3 1 3.683 3 3 9.72759647555299 16188248 CN1C=C(C2=CC=CC=C21)CN3CCCC(C3)(CC4=CC=CC=C4)CO 1 4.31 2 1 16.2579841931084 16188247 C1CC(CN(C1)CC2=CC=NC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.282 2 1 10.8159323369173 16188246 CC1=NC=C(S1)CN2CCCC(C2)C(=O)C3=C(C=CC(=C3)Cl)OC 1 3.357 2 2 8.50735041841948 16188245 CCN(CCN1C=CC=N1)CC2=NC(=NO2)C3=CC=C(C=C3)C(=O)OC 1 1.989 5 3 0 -3.91886551302786 16188244 CCOC1=CC=CC=C1CN2CCN(CC2CCO)CC3=CC4=CC=CC=C4N3 1 3.7 3 2 6.77359245377171 16188243 CC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=CC(=CC=C3)N4C=CC=N4 1 3.708 4 1 8.31029005617509 16188242 CC1=C(OC=N1)C(=O)N2CCC3=C(C2C4CCCCC4)NC5=CC=CC=C35 1 4.069 3 2 -21.2104786082306 16188241 CN(C)C(=O)C1=C(N2C=C(C=CC2=N1)Cl)CN3CCCC(C3)OCC4=CC=CC=C4 1 3.308 4 2 -5.46270247598178 16188240 CC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=CC=C(S3)C 1 3.367 2 1 6.99456161472846 16188239 C1CC(CN(C1)C2CCSCC2)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 3.859 1 1 11.7142583356145 16188238 CCOC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=NC(=CS3)C(C)C 1 3.389 3 2 3.502375503428 16188237 C1C[C@H]2C[C@H]1CN2CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5 1 2.779 3 2 2.90023070887497e-002 16188236 CC(C1=CC=CS1)N(C)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F 1 4.154 3 1 4.58182413547245 16188235 CC1CC(=CC([C@@H]1C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)Br)NC2=O)C)C 1 4.609 4 2 -4.47382929145009 16188234 COC1=C(C=C(C=C1)Cl)C(=O)C2CCCN(C2)CCO 1 2.44 1 3 7.14913129037602 16188233 CCOC(=O)C1(CCN(CC1)CC2=CC=CN2C3=CN=CC=C3)CCOC4=CC=CC=C4 1 4.202 3 3 2.64148169667927 16188232 C1CCN(CC1)CC(COC2=CC=C(C=C2)CNCCC3=CC=CC=C3F)O 1 4.006 2 2 -3.67347048825993 16188231 CC(CC(C(=O)NNC1=CC=CC=C1)C(=O)NNC2=CC=CC=C2)O 1 2.03 4 3 0 -3.78263611525931 16188230 CC1=C(C(=NC(=N1)N)N)/C=C/C(C)(C)C2=CC=C(C=C2)Cl.Cl Cl- 1 3.465 4 0 4.95668471504302 16188229 C1=CC=C(C=C1)C(=O)CNC2=CC=C(C=C2)F.Br Br- 1 3.1 1 1 -4.26642803695279 16188228 COC1=CC=CC(=C1)CCC2=NN=C(O2)CCC(=O)N3CCCC3C4=NC=CS4 1 2.322 4 3 0 -16.6327928292757 16188227 CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CN4CCN(CC4)CCO 1 3.478 4 2 15.4073659669466 16188226 CC(C)CCC1=NOC(=N1)CN2CCC(CC2)CCN3CCCC3=O 1 2.246 4 2 -15.9355930842415 16188225 CC(CCCC(C)(C)O)NC(=O)C1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3CC3 1 2.669 2 4 -25.6034090349097 16188224 CN(CC1=NOC=C1)C(=O)CCC2=NN=C(O2)CCCCC3=CC=CC=C3 1 2.675 4 3 0 -19.8976997243365 16188223 COC(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)(CC3=CC=CC=C3Cl)CO 1 3.536 1 4 -6.72275441660603e-002 16188222 C1=CC=C(C=C1)CCCCC2=NN=C(O2)CCC(=O)NCCC3=CN=CC=C3 1 2.971 4 2 -23.0005087870278 16188221 CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)CC3=CC=C(C=C3)OC4=NC=CC=N4 1 4.927 3 3 2.9350045867346 16188220 COC1=CC=CC(=C1)CC2(CCN(CC2)C(=O)NC3CCCCC3)CO 1 3.19 2 3 -1.58809488792175e-002 16188219 CCN1C=C(C=N1)CNCC2=CN(N=C2C3=CC=C(C=C3)C4CCCCC4)C 1 4.737 5 0 12.0172500932649 16188218 CC1=CC=C(O1)CN2CCNC(=O)C2CC(=O)N(C)C(C3CC3)C4CC4 1 1.427 3 3 0 -29.1156452067356 16188217 C1CN(CCC1(CCCC2=CC=CC=C2)CO)CC3=CN=C(S3)N4CCOCC4 1 2.894 3 2 13.1432860375154 16188216 COC1=CC(=CC(=C1OC)OC)C2=C(C=NN2)CN3CCN(CC3)CC4=CC=CS4 1 3.389 4 3 0 -1.48850655732627 16188215 COC1=CC=C(C=C1)/C=C/CN2CCCC(C2)C(=O)C3=CC(=C(C=C3)OC)F 1 4.555 1 3 9.91537398522273 16188214 CCOC(=O)C1CCCN(C1)CC2=C(N=C3N2C=CC=C3)C(=O)N4CCOCC4 1 1.2 4 4 0 -17.8305037481482 16188213 C1COCCN1CC(=O)NN=C/C=C/C2=CC=CC=C2 1 1.073 3 2 0 -2.85879515000168 16188212 CC1=C(C=CC(=C1OC)CN2CCC(CC2)(CCOC3=CC=CC=C3)CO)OC 1 4.043 1 4 14.3567850279319 16188211 CCOC(=O)C1(CCN(CC1)CC2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4 1 4.271 1 4 4.84778767597412 16188210 CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CN4CCC(CC4)(C5=CC=CC=N5)O 1 4.919 4 1 24.1132036933391 16188209 CCN1CC(CC1=O)CN(C)CC2=C(OC(=N2)C3=CC=CO3)C 1 1.122 3 3 0 11.3825810973172 16188208 CCCN(CC1CCCO1)C(=O)CCC2=NN=C(O2)C3=NOC(=C3)C 1 1.278 4 4 0 -34.1452485427318 16188207 CC1=C(SC=C1)C(=O)N2CCC(CC2)N3CCC(CC3)C(=O)NCC4CCCO4 1 1.833 3 3 0 -15.4730581058528 16188206 C1CCC(C1)N2CCCC(C2)(CC3=CC=CC=C3)CO 1 3.63 1 1 15.0135704533074 16188205 CC1=C(SN=N1)C(=O)N2CCCC(C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC 1 3.266 3 3 -6.20270928163775 16188204 C1CC1NC(=O)C2CCN(CC2)C3CCN(CC3)C(=O)CC4=CC=C(C=C4)F 1 1.765 3 2 0 -7.74705769489125 16188203 COC1=CC(=C(C=C1)C2=C(C=NN2)CN3CCCCCCC3)OC 1 3.954 3 2 1.26004515520588 16188202 COCC1CCCN(C1)CC2=C(NN=C2)C3=CC4=CC=CC=C4O3 1 3.177 3 2 8.79261614807849 16188201 CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)C3=CN=C(C=N3)C 1 2.815 3 2 -3.57022006927983 16188200 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)C4CC4 1 1.508 2 4 0 -21.0949597432538 16188199 CCC1=CC=C(O1)CN2CCCC(C2)C(=O)C3=C(C=CS3)C 1 4.348 1 2 2.29918144446198 16188198 CC1=CC=CC=C1CC2(CCCN(C2)CC3=CC4=C(C(=C3)OC)OCO4)CO 1 4.049 1 4 12.1706121814696 16188197 CN(CCC1CCOCC1)C(=O)CC2C(=O)NCCN2C/C=C/C3=CC=CC=C3 1 1.707 3 3 0 -33.3908834524561 16188196 CC(C)CN1CCN(C(C1)CCO)C2CCN(CC2)C(C)C 1 1.857 3 1 0 -2.34604349717688 16188195 CN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)OC.Cl Cl- 1 3.494 2 1 3.44717282614201 16188194 COC1=C(C=C(C=C1)F)C(=O)C2CCCN(C2)CC3=CC=C(C=C3)OC4=NC=CC=N4 1 4.406 3 3 5.08767669829054 16188193 CC1=C(OC=C1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.798 4 3 0 -12.467410063247 16188192 CC1=C(SC=N1)CCCNCC2=C(NN=C2)C3=CC=CC4=CC=CC=C43 1 3.498 4 0 -7.36752217546919 16188191 CC1=NC=C(N=C1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 2.607 3 2 -4.41754900575174 16188190 CSCCC(=O)N1CCCC(C1)CNC(=O)C2=CC=CC=C2Cl 1 2.385 2 2 -18.2234958345466 16188189 COC(=O)CCCC(=O)N1CCCC(C1)CCC(=O)NCC2=CC(=C(C=C2)F)F 1 2.55 2 4 -27.9323983833838 16188188 C1CN(C(C(=O)N1)CC(=O)NCC2=CC=CC=C2)CC3=C(C=CC=C3Cl)F 1 2.678 3 2 -39.9041630024774 16188187 CC(C1=NC=NC=C1)NCC2=CN(N=C2C3=CC(=CC=C3)F)C4=CC=C(C=C4)OC 1 4.234 5 1 24.6240836629987 16188186 C1=CC2=NC(=CN2C=C1)CCNC(=O)C3=NOC(=C3)COC4=C(C=CC=C4F)F 1 2.764 4 3 0 -21.2627972443973 16188185 C1CN(CCN(C1)C2CC3=CC=CC=C3C2)CC4=NC(=NO4)CC5=CC(=CC=C5)F 1 3.755 4 1 2.60533124521091 16188184 CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)CCOC 1 2.491 1 5 3.06268600448355 16188183 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN(C)C3CCOC3 1 2.529 2 2 15.553165598373 16188181 C1C[C@H](N(C1)CC2=NC(=NO2)CC3=CC(=CC=C3)C(F)(F)F)C(=O)N 1 1.914 4 2 0 -6.95039331161511 16188180 CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=NC(=N2)C)C)CCC3=CC=CC=C3 1 3.169 3 3 -7.10317981972354 16188179 CC1=CC=CC(=N1)C2C3=C(CCN2C(=O)C4=CC(=NC(=N4)C)CC(C)C)C5=CC=CC=C5N3 1 4.816 5 1 -21.4639488057103 16188178 CN1C=C(C(=N1)C2=CC=CC=C2)CN3CCC(CC3)(CCCC4=CC=CC=C4)CO 1 5.185 3 1 20.7791430547522 16188177 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C(=O)N3C)C 1 1.443 3 4 0 -4.26535341009549 16188176 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NCCCN5CCCCCC5 1 3.433 4 4 0 -22.4640228331066 16188175 CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)CC3=CC4=NON=C4C=C3 1 4.194 3 3 4.31513803633644 16188174 C1CCC(CC1)N2CCCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)C(F)(F)F 1 4.307 4 1 13.3928411430849 16188173 CC(C)CCC1=NOC(=N1)CN2CCCC2C3=CC(=CC=C3)OC 1 3.71 3 2 0.337183268787792 16188172 C1CC(CN(C1)CC2=CC=C(C=C2)OC3=NC=CC=N3)C(=O)C4=CC=C(C=C4)Cl 1 4.881 3 2 8.54816087041604 16188171 CCN(CC1=CC=NC=C1)CC2=NC(=NO2)CC3=CC=CC=C3Cl 1 2.967 4 1 -3.80040082294712 16188170 C1CC(CN(C1)CC2=CC=NN2)(CC3=CC=CC=C3)CO 1 2.333 3 1 14.5613537388199 16188169 CCN1C=CN=C1CN(C)C(=O)CC2C(=O)NCCN2CC3=C(C=CC=C3Cl)F 1 1.519 5 2 0 -38.942878378846 16188168 CC1=CC=C(C=C1)CN(C)C2=NC3=NON=C3N=C2NCCOC 1 1.385 6 2 0 -19.5454062988722 16188167 CC1=NOC(=C1)CN(C)C(=O)C2=NOC(=C2)COC3=CC4=C(C=C3)N=CC=C4 1 2.356 4 4 0 -11.9876432065516 16188166 C1CC1NC(=O)CCC2=NN=C(O2)CC3=CC(=CC=C3)C(F)(F)F 1 2.28 3 2 -18.3981398199983 16188165 CN(CCN1C=CN=C1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 1 3.586 5 2 0 20.7683725414546 16188164 CN(CC1=C2C=CC=NC2=CC=C1)C(=O)CCC3=NN=C(O3)CCC4=CC=CC=C4OC 1 3.263 4 3 0 -19.866664800466 16188163 CCC1=NN=C(S1)NC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.701 4 3 0 -24.3119343786771 16188162 CC1=CC2=C(C=C1)NC(=O)C3=C2SC(=C3)C(=O)N(C)C4=C(C=CC(=C4)C)C 1 4.997 2 2 -9.18045740783809 16188161 COC1=CC=CC(=C1)NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC=CC=C3 1 1.881 3 5 0 -19.9628541969567 16188160 CC1=NN=C(S1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)CC(C)C 1 1.519 7 3 0 -24.0931866320819 16188159 CC1CCC(CC1)N2CCNCC2.Cl Cl- 1 1.851 2 0 0 -3.95045315201893 16188158 CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3CCNS(=O)(=O)C4=CC=CC=C4)C=C2 1 1.645 7 4 0 -28.6967999759827 16188157 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.806 3 7 0 -23.1646903768293 16188156 CC1=C(C(=CC=C1)N(CC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C)C 1 3.176 2 3 -19.3420697231232 16188155 CC1=CC=C(S1)C2=NC(=C(O2)C)CN3CCCC3C4=CC=CC=C4OC 1 4.242 2 2 14.1811037184635 16188154 CCC1=NOC(=C1)CNC(=O)CCC2=NN=C(O2)CC3=CC=CC(=C3)C 1 2.399 4 3 0 -32.9160639759718 16188153 CCOC1=C(C=C(C=C1)/C=C/C(=O)C2=C(NC3(CC2C4=CC=CC=C4O3)C)O)OC 1 3.859 1 5 -10.6047629475287 16188152 CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC=C(C=C4)OC 1 5.483 4 2 -16.4530957713527 16188151 COC1=C(C=C(C=C1)CCNC(=O)CN2C3=C(C(=O)N(C2=O)C4=C(C=C(C=C4)F)F)SC=C3)OC 1 3.849 3 5 0 -18.9148046795189 16188150 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NOC(=C3)C4CC4 1 3.659 4 2 -16.9248969717774 16188149 COC1=C(C=CC(=C1)C=NNC(=O)C(=O)NCC2CCCO2)OCC(=O)N3CCOCC3 1 -0.348 4 7 0 -26.2680048200751 16188148 CCOC(=O)CC1(OCC(O1)C[N+]2(CCCCC2)C)C.[I-] I- 1 -9.e-002 1 4 0 -9.50774310753611 16188147 C1OC2=C(O1)C=C(C=C2)NC(=O)CCNC(=O)CN3C=NC4=CC=CC=C4C3=O 1 0.668 4 5 0 -21.1449614147137 16188145 CC1=CC2=C(C=C1)N=C(N2)C3CCCN3CC4=NC(=NO4)CCC(C)C 1 4.028 5 1 -5.86544425195661 16188144 C1CC(CN(C1)C(=O)C2=CSN=N2)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 3.171 3 2 -5.8156848982401 16188143 CC(=CCN1CCN(CC1CCO)CC2=C3C(=CC=C2)N=CC=N3)C 1 2.342 4 1 -1.48352263508061 16188142 CN(CC1=NC(=NO1)C2=CC3=C(C=C2)OCO3)CC4(CCCCC4)N5CCOCC5 1 2.795 4 4 0 2.38632796690609 16188141 COC1=CC=C(C=C1)/C=C/CN2CCCC(C2)(CC3=CC(=CC=C3)Cl)CO 1 4.927 1 2 21.6464862546322 16188140 CN1C=C(C=N1)CN2CCCC(C2)(CC3=CC=CC=C3)CO 1 2.461 3 1 15.3094629263405 16188139 CC(C)C1=NNC(=C1)CN2CCN(C(C2)CCO)CC3=CC(=C(C=C3)F)F 1 3.341 4 1 2.59692983860574 16188138 CC1=CC(=NN1)CN(C)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F 1 2.734 5 1 1.03876632185012 16188137 CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)CNCCC4=CN=CN4 1 4.013 5 1 14.7868228370106 16188136 COC1=CC=CC(=C1)C2C3=C(CCN2CC4=NC=CN4)C5=CC=CC=C5N3 1 3.716 4 1 -9.49878962534678 16188135 CC1=CC(=CC=C1)NCC(=O)NN=C(C)/C=C/C2=CC=CO2 1 2.663 3 2 -4.96771520143757 16188134 CCCCC(=O)NN=C(C)/C=C/C1=CC=CC=C1F 1 3.242 2 1 -6.99025416367018 16188133 CC(C)C1=C(C(=NO1)C(=O)NC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 2.65 3 5 0 -6.32492526742815 16188132 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=NC=C3 1 2.803 4 2 -10.9021651435275 16188131 CC1=CC=CC=C1CN(CC2CCC(CC2)C(=O)O)C(=S)NC3=C(C=CC(=C3)Cl)OC 1 7.139 2 3 -14.0003036745186 16188130 CN1C=CC=C1C=NNC(=O)CC2=CC=C(C3=CC=CC=C23)Br 1 3.965 3 1 -6.85855766483682 16188129 CCCCN(CCCC)CC1=CC=C(O1)C(=O)NNC(=O)NC2=CC=CC=C2 1 3.983 4 3 0 -6.81677245408669 16188128 CCN1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)S/C(=C\C4=CC=CC=C4)/C(=O)N3CC5=CC=C(C=C5)F 1 4.723 4 2 -5.49445470609932 16188127 CC1=C(C(=NC2=NC(=NN12)C3=CC(=CC(=C3)OC)OC)C)CCC(=O)NCCOC 1 1.961 5 4 0 -22.4108519511661 16188126 CC1=C(C(=NO1)C(=O)NCC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 1.527 3 5 0 -9.9322414873919 16188125 COC1=CC(=C(C=C1)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4)OC 1 2.639 3 5 0 -8.87674374295212 16188124 CC(=NNC(=O)CNC(=O)/C=C/C1=CC=CO1)C2=CC=C(C=C2)Cl 1 2.251 3 3 -11.2751670204259 16188123 CC(=NNC(=O)CNC(=O)C1=CC=CC=N1)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.896 5 4 0 -18.2755581273939 16188122 COCCN1C(C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)OC)NC4=CC(=C(C=C4)OC)OC 1 3.242 3 7 0 -17.8329301374152 16188121 CCS(=O)(=O)N1CCN(CC1)CC(=O)NC2CCCCC2.Cl Cl- 1 0.594 3 3 0 -23.3970068420138 16188120 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)F)C)CCC(=O)NC4=CC=CC=C4OC 1 3.934 4 2 -13.9711468302302 16188119 CC(C1=CC=CC=C1)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4 1 3.056 3 3 -11.590562930258 16188118 CCC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)N3CCC4(CC3)OCCO4 1 1.776 3 4 0 -15.1414525253652 16188117 CC1=C(C=C(C=C1)NC(=S)N(CCCN2CCCC2)CC3=CC=CN3CC4=CC=C(C=C4)Cl)Cl 1 8.069 4 0 -6.10555191628983 16188116 COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)/C=C/C4=CC=CO4)OC 1 2.032 2 7 0 -21.8441340576649 16188115 CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC(=C(C=C3)OC)OC 1 3.583 3 4 0 -12.9675333901626 16188114 COC1=C(C=C(C=C1)CCNC2CCCCC2)OC.Cl Cl- 1 3.514 1 2 -3.24291922770491 16188113 CN(CC1=NNC2=C1CCCC2)CC3=NC(=NO3)C4=NC=CN=C4 1 1.24 7 1 0 1.5595517912702 16188112 CCC1=CC=C(O1)CN2CCC(CC2)(CC3CCCCO3)CO 1 2.767 1 3 2.94890885001209 16188111 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CN=CN3 1 -0.407 5 4 0 -6.31633599444163 16188110 CC1CCC(CC1)NC(=O)CN(C)S(=O)(=O)C2=CN=CN2 1 0.128 4 3 0 -11.2292960281412 16188109 C1CCC(CC1)CCC2=NN=C(O2)CCC(=O)NCCC3=CN=CC=C3 1 2.731 4 2 -23.9943898052322 16188108 CC(C)N1CCN(CC1CCO)CC2=COC3=CC=CC=C3C2=O 1 1.657 2 3 0 -3.501449159878 16188107 C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)F.Cl Cl- 1 3.296 4 0 -0.822342745648091 16188106 COC1=CC=CC(=C1)CCNC(=O)CC2C(=O)NCCN2CC3=CC(=C(C=C3)Cl)F 1 2.983 3 3 -32.2539331915105 16188105 COCCC(=O)N1CCCC(C1)CCC(=O)NCC2=CC(=C(C=C2)F)F 1 2.008 2 3 -22.8747200560075 16188104 CC1=CSC(=[N+]1C)NC2=CC=CC=C2.[Br-] Br- 1 2.319 2 0 -0.523093662099112 16188103 C[N+]1=C(SC2=C1C=C(C=C2)OC)/C=C/C3=CC=CC=C3O.[I-] I- 1 4.485 1 2 9.29590156061984 16188102 CC1CCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC(=C(C=C3)OC)Cl 1 6.389 3 1 -9.36234053561118 16188101 CCC(C)C(C(=O)NC1=C(C=C(C=C1)OC)OC)NC(=O)C2CCC(CC2)C 1 4.139 2 4 -26.041336662781 16188100 CCCC1=CC=C(C=C1)C(=O)[C@@H]2[C@H](N3[C@@H]([C@]24C5=CC=CC=C5NC4=O)C=CC6=C3C=CC(=C6)F)C(=O)C 1 5.212 2 3 -3.9356151007836 16188098 CCN1/C(=C/C2=CC=[N+](C3=CC=CC=C23)CC=C)/C=CC4=C1C=CC(=C4)C.[Br-] Br- 1 6.153 2 0 9.83879820497426 16188097 CC1=CC2=C(C=C1C)N(C3=NCCCN23)CC4=CC=CC=C4.Cl Cl- 1 3.802 3 0 -6.09851820327867 16188096 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)NCC4=CN=CC=C4)C 1 1.711 4 5 0 -26.6791325675106 16188095 COC(=O)C1=CC=C(C=C1)C2NC(CC(=N2)C3=CC=CS3)C4=CC=CC=C4O 1 4.329 2 3 6.44057030445637 16188094 CCN(C1=CC=CC=C1F)C(=O)C2=CC3=C(S2)C4=C(C=CC(=C4)C)NC3=O 1 4.578 2 2 -11.8694763427717 16188093 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3[N+](=O)[O-])C 1 0.63 5 5 0 -17.5113341652043 16188092 COCCCNC(=O)C1CCN(CC1)C2=NN=C(C=C2)N3CCOCC3 1 -0.327 5 3 0 -11.4414063853483 16188091 CC1CCCC(C1C)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4 1 3.524 3 3 -10.7877350951825 16188090 COC1=CC(=C(C=C1)C(=O)C[N+]2=CN(C3=CC=CC=C32)C(F)F)F.[Br-] Br- 1 5.023 2 2 5.08127638410125 16188089 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NC4=CC=CC=C4OC 1 3.159 3 3 -6.99241249801689 16188088 CC1([C@H]2CC=C([C@@H]1C2)CN3CCC(CC3)(CC4=CC=C(C=C4)OC)CO)C 1 4.216 1 2 20.8300927780533 16188087 CC1=CC(=CC=C1)N2CC([N+]3=C2CCCC3)(C4=CC=CS4)O.[Br-] Br- 1 3.711 2 1 -6.42842421190971 16188086 CCOC(=O)C1=C(N/C(=C/C2=C(N(C(=C2)C)C3=CC=CC=C3F)C)/C1=O)C 1 3.148 2 3 -15.0516394848715 16188085 C1CC1C2=NC3=C(C(=O)NN3C(=C2)C(F)(F)F)N=NC4=CC=CC=C4 1 3.345 5 1 1.42480978891679 16188084 CCOC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4CCCO4.Cl Cl- 1 3.388 4 2 -2.1097339043514 16188083 CC1=C(C(=NO1)C(=O)N2CCOCC2)[N+](=O)[O-] 1 -0.146 3 5 0 -9.23812404312187 16188081 CC1=C(C(N2C(=N1)N=C(N2)C3=CN=CC=C3)C4=CC=CC=N4)C(=O)NC5=CC=CC=C5OC 1 1.322 7 2 0 -16.1544643721706 16188080 CC1=C(C(=NO1)C(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-] 1 1.921 3 4 0 -9.54753589788876 16188079 CC1=C(C(=NO1)C(=O)NCC2=CC=CS2)[N+](=O)[O-] 1 1.284 3 4 0 -12.3675271204249 16188077 COC1=CC(=CC(=C1OC)OC)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)OCC4=CC=CC=C4 1 3.794 2 7 0 -10.8153752810353 16188076 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=CO4 1 2.864 3 4 0 -14.8120918673698 16188075 CC1CCC2(CC1)NC(=S)C(=N2)C3=CC(=CC(=C3)OC)OC 1 3.805 2 2 1.29902459040166 16188074 CCC1(NC(=S)C(=N1)C2=CC=CC=C2)CC 1 3.502 2 0 0.728188655754227 16188073 CCOC1=C(C=C(C=C1)/C=C/C(=O)C2=C(N(C3(CC2C4=CC=CC=C4O3)C)C)O)OC 1 4.395 1 5 -10.7228626743354 16188072 CCN(CC)C(=O)CN1C2=C(C(=O)N(C1=O)C3=CC=C(C=C3)CC(=O)NCC4=CC=CC=C4)SC=C2 1 3.296 4 4 0 -26.1807074992925 16188071 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NC4=C(C=C(C=C4)OC)OC 1 3.854 2 4 -10.0064924909866 16188070 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NC4=CC=CC=C4OC 1 3.87 2 3 -8.99810402715162 16188069 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NCCC4=C(C=C(C=C4)OC)OC 1 3.471 3 4 0 -8.23283931718243 16188068 CC(C)C1=CC=C(C=C1)NC(=O)C2=CC3=C(N2C)C4=CC=CC=C4N(C3=O)C 1 4.37 3 2 -3.09913485157501 16188067 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NC4=CC(=C(C=C4OC)OC)Cl 1 3.807 3 4 0 -7.3386640448728 16188066 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NC4=CC(=C(C=C4)OC)Cl 1 3.824 3 3 -4.35724730986457 16188065 CCOC1C(=C(C(=O)O1)Cl)NC2=C(C=CC(=C2)C)C 1 3.236 1 3 -2.17808651842814 16188064 CC1=CC=CC=C1C(=O)OC2C(=C(C(=O)O2)Cl)NC3=CC=CC=C3C 1 4.522 1 4 -8.16035902945197 16188063 CC1=CC=C(C=C1)NC2=C(C(=O)OC2OC(=O)C3=CC=CC=C3C)Cl 1 4.522 1 4 -7.60954488003724 16188062 CC1=CC=C(C=C1)C(=O)OC2C(=C(C(=O)O2)Cl)NC3=CC=C(C=C3)C 1 4.522 1 4 -7.10674065409535 16188061 CCN1C=C(C(=N1)C)CN2CCC3=C(C2C4=CC(=CC=C4)O)NC5=CC=CC=C35 1 4.691 4 1 -10.4798569652182 16188060 COC1=CC=CC(=C1)CN2CCN(CC2CCO)CC3=CC(=C(C=C3)O)OC 1 2.721 2 4 5.14725359858252 16188059 COC1=CC(=C(C=C1)O)CN2CCN(C(C2)CCO)CCC3=CC=CC=C3 1 3.058 2 3 9.78483628508868 16188058 CN1C=CC=C1CC2=NN=C(N2C)SCC(=O)NCC3CCCO3 1 1.452 5 2 0 -25.9546503625263 16188057 COC1=CC=C(C=C1)C2=CC(=NO2)CCCC(=O)NCCC3=CC=CC=C3 1 4.144 2 3 -12.4770664513183 16188056 CC(C)C1=C(C(=NO1)C(=O)NC2=C(C3=C(S2)CCC3)C#N)[N+](=O)[O-] 1 3.258 4 4 0 -19.7315782492206 16188055 CC(C)C1=C(C(=NO1)C(=O)NCC2=CC=CC=N2)[N+](=O)[O-] 1 1.738 4 4 0 -11.5464671714313 16188054 CC(C)C1=C(C(=NO1)C(=O)N2CCOCC2)[N+](=O)[O-] 1 0.983 3 5 0 -9.06056234285764 16188053 CC(C)C1=C(C(=NO1)C(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-] 1 3.05 3 4 0 -8.98740867930764 16188052 CC(C)C1=C(C(=NO1)C(=O)NCC2=CC=CS2)[N+](=O)[O-] 1 2.413 3 4 0 -12.1899654201607 16188051 CC(C)C1=C(C(=NO1)C(=O)N2CCCCCC2)[N+](=O)[O-] 1 2.669 3 4 0 -7.49226589308205 16188050 CC(C)C1=C(C(=NO1)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-] 1 2.994 3 4 0 -9.43161092255855 16188049 CC(C)C1=C(C(=NO1)C(=O)NC2CCCCC2)[N+](=O)[O-] 1 2.948 3 4 0 -8.14811696711437 16188048 CC(C)C1=C(C(=NO1)C(=O)NC2CCCC2)[N+](=O)[O-] 1 2.492 3 4 0 -7.79364845294629 16188047 CC(C)C1=C(C(=NO1)C(=O)NC2=C(N=CC=C2)Cl)[N+](=O)[O-] 1 2.389 4 4 0 -6.53825900028402 16188046 CC(C)C1=C(C(=NO1)C(=O)NC2=CC=C(C=C2)C(=O)C)[N+](=O)[O-] 1 2.406 3 5 0 -9.62664158908068 16188045 CCC1=CC=C(C=C1)NC(=O)C2=NOC(=C2[N+](=O)[O-])C(C)C 1 3.608 3 4 0 -6.1513971940631 16188044 CC1=C(C(=NO1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)[N+](=O)[O-] 1 1.709 4 5 0 -13.3713621513847 16188043 CCC1=C(SC(=C1C#N)NC(=O)C2=NOC(=C2[N+](=O)[O-])C)C 1 2.29 4 4 0 -14.6532731260599 16188042 CC1=C(C(=NO1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-] 1 2.585 4 4 0 -20.2179500703695 16188041 CC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C=N3)C(C)C 1 4.156 3 0 -2.35677648614278 16188040 CCOC1=C(C=C(C=C1)Br)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 3.658 3 4 0 -6.62905510348429 16188038 C[C@@H]1CC2(CCCC[N+]2(C)C)C[C@H]1C.[I-] I- 1 1.644 1 0 0 -3.19853960925549 16188037 CN1CCC2=C(C1=O)N(C3=CC=CC=C23)CC(CN4CCN(CC4)CCO)O.Cl Cl- 1 1.155 4 3 0 0.973236407673843 16188036 CC1=C(C(=NC2=NC(=NN12)C3=CC(=CC(=C3)OC)OC)C)CCC(=O)NCC(OC)OC 1 2.03 5 5 0 -23.2493945774384 16188035 CCOC(=O)C1CCN(CC1)C(=O)CCC2=C(N3C(=CC(=N3)C4=C(C=C(C=C4)OC)OC)N=C2C)C 1 3.163 4 5 0 -16.2655229384318 16188034 CC1=C(C(=NC2=CC(=NN12)C3=C(C=C(C=C3)OC)OC)C)CCC(=O)NC4CCCC4 1 3.683 4 3 0 -15.748004114784 16188033 CC1=C(C(=NC2=CC(=NN12)C3=C(C=C(C=C3)OC)OC)C)CCC(=O)NCC4=CC=C(C=C4)F 1 4.07 4 3 0 -17.2568375906674 16188032 CC(C)NC(=O)/C(=C/C1=CN(C2=CC=CC=C21)S(=O)(=O)N(C)C)/NC(=O)C3=CC=C(C=C3)OC 1 2.37 4 5 0 -20.7651847368743 16188031 CCOC1=CC=CC=C1NC(=O)CNS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C 1 2.054 3 4 0 -14.5707032362407 16188030 CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNCCCC3=CC=CC=C3 1 1.827 2 2 0 -7.44872252938711 16188029 CCOC(=O)N1CCC(CC1)NC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.085 3 5 0 -21.3714426505759 16188028 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C3CS(=O)(=O)C=C3)C4=CC(=CC=C4)Cl 1 1.67 2 6 0 -17.0476488679814 16188027 CC1=C(C(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C 1 2.742 3 3 -11.7264691080228 16188026 CCCN1CCN(CC1)CCCNC(=O)C2=CC3=C(S2)C4=C(C=CC(=C4)C)NC3=O 1 3.273 4 2 -12.4626555103296 16188025 CCN(C1=CC=C(C=C1)F)C(=O)C2=CC3=C(S2)C4=C(C=CC(=C4)C)NC3=O 1 4.578 2 2 -8.76825195631967 16188024 CC1=CC2=C(C=C1)NC(=O)C3=C2SC(=C3)C(=O)N(C)C4=CC=CC=C4C 1 4.51 2 2 -10.7266816203195 16188023 CCCCN(C)C(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C)OC1=O 1 2.813 3 5 0 -24.009806461513 16188022 CC1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C5=C(CCC(C5)C)N=C4C=C3)C(=O)O 1 4.325 3 5 0 -22.4502658315118 16188021 CC(C)C1=CC(=NO1)C(=O)NCCC2=CC=CC=C2 1 3.1 2 2 -13.5568129263214 16188020 C1CCC(CC1)NC(=O)C2=NOC(=C2)C3CC3 1 2.682 2 2 -14.4698579701488 16188019 CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=NOC(=C3)C4=CC=CO4 1 3.421 4 3 0 -9.05142188435065 16188017 C[N+]12CCCCC1[C@@H](CCC2)COC(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/NC(=O)C4=CC=CC=C4.[I-] I- 1 2.895 2 5 0 -17.741146795491 16188016 CCOC(=O)N1CCN(CC1)CCC(=O)C2=CC=C(C=C2)OC.Cl Cl- 1 2.016 2 4 -0.913280099251059 16188015 C1COCCN1CC2=C(N=C3N2C=CC4=CC=CC=C43)C5=CC=CC=C5.Cl Cl- 1 3.402 3 1 -1.18659792056983 16188014 CCCC[N+]1=CC(=N)O[N-]1.Cl Cl- 1 1.173 3 1 0 0.117908606987047 16188013 CCO.C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)CCCCCN)Cl.Br Br- CCO 1 4.492 3 3 -10.3394995446603 16188011 CC1=CC2=C(C=C1)N(/C(=C\C3=C[N+](=CC=C3)CCO)/S2)C.[I-] I- 1 4.032 2 1 4.29212643520638 16188010 CCN(CC)CCCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3N=C2Cl 1 4.149 3 1 -6.28592521958335 16188009 CC1=C(C(=NC2=CC(=NN12)C3=CC=CC=C3OC)C)CCC(=O)NCC4=CC=C(C=C4)OC 1 3.864 4 3 0 -19.0334361473779 16188008 CC1=C(C(=NC2=CC(=NN12)C3=CC=CC=C3OC)C)CCC(=O)NCC4=CC=C(C=C4)F 1 4.086 4 2 -18.077365761678 16188007 CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=C(N4C(=C(C(=N4)C)C5=CC=C(C=C5)F)N=C3C)C 1 4.418 6 1 0 -8.56597361871439 16188006 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)F)C)CCC(=O)NCCCOC 1 2.305 4 2 -19.4717320669762 16188005 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)F)C)CCC(=O)NC4=C(C=C(C=C4)F)F 1 4.361 4 1 -11.2958770958493 16188004 CCCN1C(C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)OC)NC4=CC(=C(C=C4)OC)OC 1 4.246 3 6 0 -16.9416645987548 16188003 CCCN1C(C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)C)NC4=CC=CC(=C4)C(=O)C 1 3.791 3 4 0 -13.9156885941022 16188002 CCCN1C(C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3OC)NC4=CC=CC=C4OC 1 4.278 3 4 0 -14.0019424005325 16188001 CCCN1C(C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3C)NC4=CC=CC=C4C 1 5.284 3 2 -13.0349204289695 16188000 CCCN1C(C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)OC)OC)NC4=C(C=C(C=C4)OC)OC 1 4.246 3 6 0 -15.1787438613799 16187999 C1CCN(C1)CCCNC(=O)[C@H](CSCC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O 1 3.052 3 2 -16.5795407932156 16187998 CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)NCC4=CC=CO4)CCOC 1 1.526 3 4 0 -13.5175417741843 16187997 COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3C=C(C(=N3)C(=O)OC)[N+](=O)[O-])C(F)(F)F 1 4.278 5 5 0 2.04375678132979 16187996 CCCNC(=O)C1=NOC2=C1CCC3=C2C=CC(=C3)OC 1 3.187 2 3 -9.50887825052033 16187995 CC(C)CC1=CC(=NO1)C(=O)NC2=CC=C(C=C2)Br 1 3.766 2 2 -4.91850167378263 16187994 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCC5(CC4)OCCO5)C(=C2)C 1 4.172 5 2 0 -11.2752208554736 16187993 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCC3=CC=CC=N3 1 0.348 4 5 0 -24.9566039981252 16187992 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CC(CC(C3)C)C)C(=O)N4CCN(CC4)C(=O)OCC 1 2.171 4 6 0 -21.5432832419177 16187991 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCN(CC4)C(=O)OCC 1 1.532 4 6 0 -19.9374476408952 16187990 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CN(C3=CC=C(C=C3)OC)S(=O)(=O)C4=C(NN=C4C)C 1 3.138 5 4 0 -16.1284565811561 16187989 CCOC1C(=C(C(=O)O1)Cl)NC2=CC=C(C=C2)C 1 2.75 1 3 -2.07720030439938 16187988 CCC1CCCCN1CCCNC(=O)C(C(C)CC)NC(=O)C2CCC(CC2)C 1 4.614 3 2 -26.5913006138226 16187987 CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.109 3 4 0 -8.7747486764756 16187986 CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)CC4=CC=CC=C4)CC 1 4.642 5 3 0 -12.7625320715667 16187985 CCN(CC)CCCNC(=O)C1C(N(C(=O)C2=CC(=C(C=C12)OC)OC)C)C3=CN=CC=C3 1 1.544 4 4 0 -13.2335880935933 16187984 CC1=NC2=CC=CC=C2N1CCN3CCOCC3.Cl Cl- 1 1.638 3 1 0 -2.60232425158394 16187983 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=CC=C(C=C2)C(=O)NCC(OC)OC 1 1.718 2 7 0 -18.65463610678 16187982 CCCN(CCC)CCNC(=O)CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)C 1 2.968 6 2 0 -10.2745170090508 16187981 CCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC=C2C)C)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 1.841 4 6 0 -26.1331489618775 16187980 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)C3=CC=C(C=C3)OC 1 1.27 4 6 0 -29.6736065855373 16187979 CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=C(C=C2)OC)N(CC3=CC=CO3)C(=O)CC4C(=O)NC(=O)N4 1 2.787 4 6 0 -23.5144728062955 16187978 CC1=C(C(=CC=C1)C)NC(=S)N(CCCN2CCOCC2)CC3=CN=CC=C3 1 4.342 4 1 -11.1930857127993 16187977 CCOCCCNC(=O)C(C1=CC=CC=C1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4O 1 3.412 2 6 0 -14.1373940429935 16187976 CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2CCCN4CCCC4)SC5=CC=CC=C53 1 5.181 4 2 -18.2001808384966 16187975 CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=CSC(=N3)NC(=O)CCC(=O)NCCCN4CCCC4 1 2.342 4 5 0 -13.092851772031 16187974 CCC12CN3CCN(C1)CC(C3)C2=NNC(=O)N 1 -0.225 5 1 0 -10.6378703645499 16187973 CCC12CN3CCN(C1)CC(C3)C2=NNC(=O)C4=CC=C(C=C4)Cl 1 2.314 4 1 -7.73861582411042 16187972 COC1=CC=C(C=C1)C(CC(=O)O)N2C=NN=N2.Cl Cl- 1 0.465 4 3 0 -12.3206229295808 16187971 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=N5 1 2.653 3 4 0 -36.1092687920272 16187970 COC1=CC(=C(C=C1)OC)CNN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4F 1 3.963 3 3 -7.08248483034009 16187969 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=NC=C3)NC(=O)C4=CC=C(C=C4)Br 1 3.13 4 2 -5.78106461214299 16187968 C1=CC=C(C=C1)CC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4F 1 3.773 3 2 -8.06477358624885 16187967 COCCCNC(=O)CNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3OC 1 0.652 3 5 0 -26.4559423606911 16187966 CN(CC1=CN(N=C1C2=CC(=CC=C2)F)C3=CC=C(C=C3)OC)CC4=NC(=O)NN4 1 3.161 6 2 0 17.1303233990754 16187965 CC1=C(SC=C1)S(=O)(=O)N2CCC(CC2)(CC3CCCCO3)CO 1 2.089 1 4 -11.7612337403619 16187964 CC(C)N(CCOC)C(=O)C1=CC=CC=C1OC2CCN(CC2)S(=O)(=O)C 1 0.984 2 5 0 -24.2441818422542 16187963 CC1=C(SC=C1)S(=O)(=O)N2CCCC(C2)CCC(=O)NCC3=CC=CC=C3F 1 3.458 2 3 -24.3777783907383 16187961 CCC1=NN(C(=C1)C(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=CS3)C 1 2.036 4 3 0 -23.7141028427333 16187960 CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CN=CC=C2)CC3=CC=CC=C3C 1 2.999 2 4 -11.827943815542 16187959 CC1=C(C=CC(=C1)Br)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5 1 4.706 5 1 -3.47785110160372 16187958 CSC1=NCCN1CCOC2=CC=CC=C2.I I- 1 2.492 2 1 -3.81505849545993 16187957 CCC(=O)OCCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3.Cl Cl- 1 3.39 3 2 3.00686592183542 16187956 CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=CC=C2)CC3CCCCO3 1 2.625 1 5 -21.7476941772511 16187955 CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=CC=C(C=C3)O 1 4.112 1 2 4.91833952507568 16187954 COC1=C(C=C(C=C1)CNN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4F)OC 1 3.963 3 3 -10.8736040807086 16187953 CCN=C1N(C(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/S1)CC 1 3.622 2 3 -5.87992899029948 16187952 CC1=C(C=CC(=C1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=NC=C4)[N+](=O)[O-] 1 2.762 5 4 0 -10.6137826524292 16187951 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C4=NON=C4C=C3)[N+](=O)[O-] 1 1.772 6 4 0 -9.67045864242676 16187950 CC1CCN(CC1)CCCNC(=O)C2CCC(=O)N(C2C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)OC 1 3.699 3 5 0 -19.9766135211165 16187949 C1CN(CCN1C2=CC(=CC=C2)Cl)/C(=C/3\C=CC=CC3=O)/S 1 4.115 2 1 5.57211498014373 16187948 CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C)C)CC3CCCCO3 1 1.703 3 5 0 -18.5036713857673 16187947 CCOC(=O)C1(CCN(CC1)S(=O)(=O)C)CC2=CC=C(C=C2)OC 1 1.935 1 5 0 -7.48158591712022 16187946 COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C3=CC=CO3 1 1.738 2 5 0 -11.7052113056582 16187945 CCOC1=CC=CC(=C1O)CN2CCC(CC2)(CC3=CC(=CC=C3)OC)C(=O)OCC 1 4.559 1 5 8.06042884071688 16187944 CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC(=CS2)C)CC3CCCCO3 1 2.897 1 5 -19.9186338639998 16187943 CCOC1=CC=CC(=C1O)CN2CCCC(C2)CCC(=O)NCC3=CC=CC=C3F 1 4.232 2 3 -11.8111881424004 16187942 CCOC(=O)C1(CCN(CC1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)OC 1 4.226 1 4 9.79997656926925 16187941 C1CCN(C1)C(=O)C2=C(N3C=CC=CC3=N2)CN4CCN(CC4)C5=CC=CC=C5O 1 2.55 5 2 0 -8.63438510776457 16187940 CC1=NC(=CC(=N1)CC(C)C)C(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=CS3 1 2.409 4 3 0 -22.1244289466561 16187939 CCOC(=O)C1(CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2)CC3CC3 1 2.774 1 4 -6.11436069829837 16187938 CC1=NN(C(=C1S(=O)(=O)N2CCC(CC2)(CCC3=CC=CC=C3)CO)Cl)C 1 2.567 3 3 0.423236565819341 16187937 CCCCN(CC)CCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl 1 4.158 3 2 -15.830092231004 16187936 COC1=CC(=C(C=C1NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5)Cl)OC 1 4.103 5 3 0 -4.96609346449837 16187935 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCN(CC5)C6=CC=CC=N6 1 4.394 6 1 0 4.1195670223357 16187934 CCC1=CC=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5 1 4.414 5 1 -1.38930000785294 16187933 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCCCC3)CC(=O)C4=CC=C(C=C4)Br.[Br-] Br- 1 6.225 2 1 1.4454530550662 16187932 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C4=[N+](CCCCC4)C=C3C5=CC=C(C=C5)OC.[Br-] Br- 1 4.388 4 2 -7.54828790251592 16187931 CCOC(=O)NN=C(C)C1=CC(=CC=C1)N2C=NN=N2 1 0.878 6 2 0 -19.0081580988967 16187930 CSC1=NN=C(O1)[C@H](CC2=CNC3=CC=CC=C32)N.Cl Cl- 1 1.92 4 1 0 -6.30319394077613 16187929 C(CCC1=NN=C(O1)SCC(=O)N)CCN.Cl Cl- 1 -7.8e-002 4 2 0 -17.4504912827063 16187928 CC1=CC(=CC=C1)NCC(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 1.83 4 1 0 -2.66754402037703 16187927 COC1=CC(=CC(=C1O)OC)CN2CCCC(C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3 1 5.149 1 4 9.84664093558872 16187926 C1CC(CN(C1)S(=O)(=O)C2=CN=CC=C2)C(=O)C3=CC4=CC=CC=C4C=C3 1 2.716 2 3 -8.79546334877286 16187925 CC(C1CC1)NC(=O)C2=CC=C(C=C2)OC3CCN(CC3)S(=O)(=O)N(C)C 1 0.971 3 4 0 -27.0512703221787 16187924 CN(C)S(=O)(=O)N1CCCC(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.491 2 3 -8.48404975723591 16187923 C1CC(CN(C1)C(=O)C2=CN=CS2)CNS(=O)(=O)C3=CC=CS3 1 0.892 3 3 0 -22.495795932451 16187922 CC(C)CCNC(=O)C1=CC=C(C=C1)OC2CCN(CC2)S(=O)(=O)N(C)C 1 1.354 3 4 0 -28.296746092339 16187921 CC1=CC=CC(=N1)C2C3=C(CCN2C(=O)C4=NC(=O)NC(=C4)CC(C)C)C5=CC=CC=C5N3 1 4.385 5 2 0 -19.7600039309958 16187920 CN(C)S(=O)(=O)N1CCCC(C1)C(=O)C2=CC=CC=C2SC 1 1.514 2 3 0 -20.1976226869625 16187919 CCOC(=O)C1(CCN(CC1)CC2=C(C(=CC=C2)OC)O)CC3=CC(=CC=C3)OC 1 4.21 1 5 9.46694186490233 16187918 C1CCOC(C1)CC2(CCN(CC2)CC3=CC(=CC=C3)O)CO 1 2.53 1 3 5.16920153395575 16187917 CN(C)S(=O)(=O)N1CCCC(C1)C(=O)C2=CC=C(C=C2)C(F)(F)F 1 1.914 2 3 0 -8.05117927190131 16187916 COC1=C(C=CC(=C1)/C=C/CN2CCC(CC2)(CC3CCCCO3)CO)O 1 2.982 1 4 7.64501654444553 16187915 COC1=CC=CC(=C1)CNC(=O)CCC2CCCN(C2)CC3=C(C=CC(=C3)Cl)O 1 4.342 2 3 -4.08327396076573 16187914 CN(C)S(=O)(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCC=C 1 0.39 3 4 0 -28.2788432299882 16187913 CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)CCC(=O)NCC3=CC=CC=C3F 1 3.117 2 3 -23.9353898808129 16187912 CN(C)S(=O)(=O)N1CCCC(C1)C(=O)C2=CC=C(C=C2)SC 1 1.514 2 3 0 -9.44182921876379 16187911 CCCS(=O)(=O)N1CCCC(C1)C(=O)C2=CC=CC=C2OC 1 2.237 1 4 -17.979751750535 16187910 CCCS(=O)(=O)N1CCCC(C1)C(=O)C2=CC(=CC=C2)Cl 1 2.918 1 3 -11.9944555392144 16187909 CS(=O)(=O)N1CCC(CC1)OC2=CC=CC=C2C(=O)N3CCNC(=O)C3 1 -0.733 3 5 0 -34.8126684266482 16187908 COC1=CC=CC(=C1O)CN2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4 1 3.424 1 5 6.37873459866993 16187907 CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC)CC3CCCCO3 1 2.608 1 6 0 -21.193607798524 16187906 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(CC3CCCCO3)CO 1 3.216 1 4 -11.8319249987872 16187905 CCOC1=CC=CC(=C1O)CN2CCN(C(C2)CCO)CCC3=CC=CC=C3 1 3.407 2 3 5.87742929026919 16187904 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NC3=CC=CC=C3)C.Cl Cl- 1 4.138 3 2 -10.1076104053446 16187903 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NC3=CC=CC=C3OC)C.Cl Cl- 1 4.122 3 3 -11.9376034617817 16187902 CC1=CC(=CC=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)C)C 1 3.438 2 3 -12.1959073070943 16187901 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC(=O)OC)N(C)CCC3=CC=CC=N3)C 1 3.683 4 4 0 -17.3689778347875 16187900 CC1CCC(C(C1)OP(=O)(C2=CC=CC=C2)C(C3=CC=NC=C3)O)C(C)C 1 4.456 1 3 -2.75535295257985 16187899 C1CN(CCC1(CCC2=CC=CC=C2)CO)CC3=C(C=CC(=C3)Cl)O 1 4.555 1 2 19.0641600406133 16187898 CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CC=C3 1 2.277 2 4 -9.56410589704091 16187897 CC1=NN(C(=C1S(=O)(=O)N2CCC(CC2)(CC3=CC=C(C=C3)OC)CO)Cl)C 1 2.094 3 4 0 0.668354614900611 16187896 CCN1C=C(C=N1)CN2CCCC(C2)CNS(=O)(=O)CC3=CC=CC=C3 1 2.024 4 2 -9.89507682712356 16187895 CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CSC=C2)CC3CCCCO3 1 2.287 1 5 -22.2698838396132 16187894 COC1=CC=CC=C1CN2C[C@@H]3C[C@H](N4[C@@]3(C2=O)CCC4)C5=CC(=CC=C5)O 1 3 2 3 5.36204609462866 16187893 CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(S2)C)CC3CCCCO3 1 2.557 1 5 -17.7604706205529 16187892 CN(C)S(=O)(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NC3CCCCC3 1 1.632 3 4 0 -23.9278343129524 16187891 COC1=CC=CC=C1C=NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 4.116 3 3 -8.65721625774637 16187890 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl)OC 1 4.099 3 4 0 -12.882820311029 16187889 COC1=CC(=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl)OC 1 4.099 3 4 0 -8.0911823958212 16187888 CC1=NON=C1CC(=O)N2CCC3=C(C2C4=CC=CC=C4F)NC5=CC=CC=C35 1 3.748 4 2 -25.7304823257543 16187887 CC(=NNC(=O)CNC(=O)C1=CC=CC=C1F)/C=C/C2=CC=CC=C2 1 2.387 3 2 -13.1319385176823 16187886 CC(=NNC(=O)CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)/C=C/C2=CC=CC=C2 1 2.132 3 5 0 -14.8942570112829 16187885 CC1=CC=CC=C1C=NNC2=NC3=CC=CC=C3N2 1 3.355 4 0 5.31219975882771 16187883 CC1=CC(=CC(=C1Cl)C)OCCCCN2C=CN=C2.Cl Cl- 1 3.834 2 1 5.0436618842988 16187882 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3=NC=C(C=C3)C 1 2.564 3 2 -9.67223104922409 16187881 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3=CC=CC(=N3)C 1 2.36 3 2 -7.10243503679521 16187880 CCOC(CNC(=O)CC1=C(N2C(=C(C(=N2)C)C3=CC=CC=C3)N=C1C)C)OCC 1 2.347 4 3 0 -14.9823458885994 16187879 CC1=CC=C(C=C1)N2C3=NC(=C(C(=C3C(=N2)C)C)CCC(=O)NC4=CC=C(C=C4)CN5CCCC5)C 1 5.652 5 1 -6.27276667912533 16187878 CCOC(=O)CC(C1=CC=C(C=C1)OC(C)C)NC(=O)CCC2=C(N3C(=NC(=N3)C)N=C2C)C 1 3.086 5 4 0 -25.0376872053152 16187877 COC1=C(C=C(C=C1)CCNC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)F)SC=C3)OC 1 3.643 3 5 0 -19.0687932365137 16187876 C1CC(CNC1)CC2=CC=CC=C2.Cl Cl- 1 2.509 1 0 -3.14320620675985 16187875 CC(C)(C)C1CCC(CC1)OC(=O)C[N+]2(CCCC2)C.[I-] I- 1 2.157 1 2 -10.2639895597089 16187874 COC1=C(C=C(C=C1)/C=C(/C(=O)OCC2CCCN3C2CCCC3)\NC(=O)C4=CC=CC=C4)OC 1 4.249 2 5 0 -12.2251355269666 16187873 CC(C1=CC=CC=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 2.838 2 4 -9.72297121491372 16187872 [B-](F)(F)(F)F.CN(C)CCC[NH+]=C1C=C(OC2=C1C=C(C=C2)Cl)C3=CC=CC=C3 F[B-](F)(F)F 1 4.158 2 1 5.63962735320725 16187871 C[N+]1(CCOCC1)CCOC(=O)C2=CC=C(C=C2)OC.[I-] I- 1 0.14 1 4 0 -8.50176030225842 16187870 CC1=CC=CC(=C1)C2=N/C(=C/C3=CC=CS3)/C(=O)O2 1 3.752 1 2 -5.28081367152522 16187869 CC(CCC1=CC=CC=C1)NC(=O)CCN2C(=O)CCC(=N2)C3=CC=CC=C3 1 3.301 3 2 -17.6596451142503 16187868 C1CCN(C1)CCCN(CC2=CC=CN2CC3=CC=C(C=C3)Cl)C(=S)NC4=CC(=CC=C4)Cl 1 7.583 4 0 -4.473877062441 16187867 CCC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)NC(C)CCC3=CC=CC=C3 1 4.244 3 2 -17.2667079251625 16187866 CC1=NC=C(C=C1)C(=O)NN=C(C)C2=CC3=C(CCCC3)C=C2 1 3.309 3 1 -12.1960029384368 16187865 CC1=NC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)OC 1 2.999 3 6 0 -18.3080251101376 16187864 CC1=NC=C(C=C1)C(=O)NN=C/C=C/C2=CC=C(C=C2)Br 1 2.924 3 1 -2.9642109503842 16187863 CC1=CC=CC=C1NCC(=O)NN=C(C)/C=C/C2=CC=CO2 1 2.663 3 2 -7.6553520874459 16187862 C1=CC=C2C(=C1)C(=CC=C2Br)CC(=O)NN=CC3=CC=CC=N3 1 3.652 3 1 -2.28639207303045 16187861 CC(=NNC(=O)CNC(=O)C1=CN=CC=C1)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.467 5 4 0 -17.5044438128598 16187860 CC(=NNC(=O)CNC(=O)C1=CN=CC=C1)C2=CC(=CC=C2)[N+](=O)[O-] 1 0.467 5 4 0 -17.4502331784854 16187859 C1COCC[N+]1(CC#CCO)CC#CC2=CC=CC=C2.[Br-] Br- 1 0.877 1 2 0 -0.295219091702311 16187858 CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)CC3=CC4=CC=CC=C4N3 1 4.828 2 1 15.7825064030544 16187857 COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C(=O)C3=NNC4=C3CCCC4)OC 1 3.478 3 4 0 -10.7067649439995 16187856 CN(CC1=NC=NC=C1)C(=O)CC2C(=O)NCCN2CC3=CC(=CC=C3)OC4=CC=CC=C4 1 2.011 5 3 0 -30.3686596565146 16187855 CC(C)(C)CN1CCNC(=O)C1CC(=O)NCCC2=CC=C(C=C2)OC 1 1.995 3 3 0 -36.6624552468825 16187854 CCOC1=C/C(=C/NNC(=O)CC(=O)NCCC2=CC=CC=C2)/C=CC1=O 1 0.672 3 4 0 -9.6923298765904 16187853 CCOC(=O)C1(CCN(CC1)CC2=CC=C(S2)C3CCCCO3)CCOC 1 3.31 1 4 7.60604106292053 16187852 C1CN(CC2=CC=CC=C21)C(=O)CC3C(=O)NCCN3CC4=CC(=C(C=C4)Cl)F 1 2.959 3 2 -32.5374388668782 16187851 COC1=CC=CC=C1CN2C[C@@H]3C[C@H](N4[C@@]3(C2=O)CCC4)C5=CC=CC=C5 1 3.242 2 2 3.77593186457317 16187850 CN(CC1=CC=NO1)C(=O)CC2C(=O)NCCN2CC(C3=CC=CC=C3)C4=CC=CC=C4 1 2.219 4 3 0 -42.6344007103841 16187849 CC1=CC(=C(C(=C1)N2C=CC=N2)CN3CCCC(C3)CNC(=O)C4=CC=C(C=C4)F)C 1 4.72 4 1 -1.84487816491132 16187848 C1CSCCN1CC2=NC(=NO2)CC3=CC(=CC=C3)F 1 2.159 3 1 -3.32885381796538 16187847 CC1=NC=C(S1)CN2CCN(C(C2)CCO)CC=C(C)C 1 1.672 3 1 0 -0.503508982355966 16187846 C1CN(C(CN1CC2=CC=C(C=C2)C#CCCO)CCO)CC3=CSC=C3 1 2.965 2 2 7.53057275305643 16187845 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC(C3)C(=O)C4=CC=C(C=C4)SC 1 3.152 3 3 -3.05337604703847 16187844 COC1=CC=CC(=C1)CN2CCN(CC2CCO)CC3=C4C(=CC=C3)OCO4 1 2.747 2 4 5.89258188105668 16187843 CN(C1CCOC1)C2=NC3=NON=C3N=C2NC4CC4 1 -0.286 6 2 0 -21.3035752925017 16187842 CC(C1CCN(CC1)C2=NC3=NON=C3N=C2NCCCOC)N4CCOCC4 1 0.132 7 3 0 -16.9050055762921 16187841 COCC1=CC=C(S1)C(=O)N2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)F 1 3.501 1 3 -4.43884579957422 16187840 CC1=CC=C(O1)C2=CC=CC=C2[C@@H]3C[C@H]4CN(C(=O)[C@@]45N3CCC5)C 1 2.734 2 2 6.08864758641348 16187839 CC(C)CN1CCNC(=O)C1CC(=O)NCCC2=CN(N=C2)C3=CC=CC=C3 1 1.964 5 2 0 -32.6425325515107 16187838 CN(CC1=CC=CC=C1)C(=O)C2=C(N3C=CC=CC3=N2)CN4CCC5=C(C4)C=CS5 1 3.61 4 1 -20.6612050050992 16187837 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=CC4=CC=CC=C4O3 1 2.416 3 4 0 -3.59885190623457 16187836 CN1C2=C(C(=NC(=N2)C3=CC=CC=C3OC)SCC(=O)NCC4CCCO4)C(=O)N(C1=O)C 1 1.839 5 5 0 -25.6550314529853 16187835 CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)Cl)SCC(=O)NCC4CCCO4)C(=O)N(C1=O)C 1 2.52 5 4 0 -18.752584230108 16187834 CC(=CCN1CCN(CC1CCO)CC2=CC=C(C=C2)C(=O)OC)C 1 2.733 2 3 -4.89939207888037 16187833 C1CC=C(C1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.883 4 2 -14.4148928754951 16187832 CC(=O)NC1=CC=C(C=C1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 3.977 2 2 7.60084378025008 16187831 CCOC(=O)C1(CCN(CC1)CC2=CC=NC=C2)CCOC 1 1.485 2 3 0 5.45508547017015 16187830 C1CCC(CC1)C2=NN=C(O2)CCC(=O)NCC3=CC(=C(C=C3)F)F 1 3.27 3 2 -19.1201050741758 16187829 CC1=CC(=NO1)C2=NN=C(O2)CCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4 1 3.037 4 3 0 -29.5342274686151 16187827 CN1CCC(CC1)OC(=O)C2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 3.124 1 2 0.337186295478038 16187826 CC1=CC=C(S1)C2=NN=C(O2)CCC(=O)NCC3C4CC5CC(C4)CC3C5 1 3.365 3 2 -15.1544974668847 16187825 CC1=CC=CC(=N1)C2C3=C(CCN2C(=O)CC4=NC(=NN4)C5=CC=CC=C5)C6=CC=CC=C6N3 1 4.374 6 1 0 -12.3110476774366 16187824 CCN1C(=C(C(=N1)C)CN2CCC3=C(C2C(C)(C)C)NC4=CC=CC=C34)C 1 4.96 4 0 -13.4027326160069 16187823 CCOC(=O)C1(CCN(CC1)C(=O)CN2C(=O)CSC2=O)CCCC3=CC=CC=C3 1 3.01 2 5 0 -11.0089588034357 16187822 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C1CCN(C(C1)CCC2=CC=CC=N2)CC3=NC(=NO3)CC4=CC(=CC=C4)F 1 3.89 4 1 -5.07351814023014 16187729 C1CC(CN(C1)C(=O)CN2C(=O)CSC2=O)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 2.47 2 4 -9.01651982286988 16187728 CCN1C(=[N+](C2=C1C=C(C=C2)Cl)CC3=CC=CC=C3)C.[I-] I- 1 4.845 2 0 7.23526545388706 16187727 C1CC(=O)N[C@@H]1CN(CC2=CC=CC=N2)CC3=NC(=NO3)CC4=CC=CC=C4 1 1.646 5 2 0 -11.5021071169372 16187726 CCN1CC(CC1=O)CN(C)CC2=NC(=NO2)COC3=CC=CC=C3 1 0.963 4 3 0 -6.29733971453852 16187725 COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)CC3=CSC=C3)OC 1 3.544 1 3 1.08720105169236 16187724 C1CC(CN(C1)C(=O)CCC2=NC=CN=C2)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 2.394 3 2 -4.57459314839573 16187723 C1CN(CCC1C(=O)NCCC2=CC=CC=C2)C3CCN(CC3)CC4=CC=C(O4)CO 1 2.254 3 3 -2.78807426705066 16187722 CC(=O)C1=CC(=CS1)CN2CCC(CC2)N3CCC(CC3)C(=O)N4CCCC4 1 2.054 3 2 0.148437116374146 16187721 CC1=C(SC=C1)CN(C)CC2=NC(=NO2)C3CC3 1 2.39 3 1 -1.72705854319934 16187720 COC1=CC=C(C=C1)CC2(CCN(CC2)CC3=CC4=C(C=CC(=C4)Cl)OC3)CO 1 4.489 1 3 26.6505964949717 16187719 CC(COC1=CC=CC=C1)N2CCC(CC2)(CC3=CC=C(C=C3)OC)CO 1 4.086 1 3 8.37461864909031 16187718 CC1=CC=C(O1)CNC(=O)CCC2CCCN(C2)CC3=C4C=CC=NC4=CC=C3 1 3.45 3 2 -8.67692382610987 16187717 COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C3CCCN(C3)C(=O)CCC4=CC=CC=N4 1 3.494 2 3 -3.1970806840403 16187716 CN(CC1=CSC=C1)C(=O)CCC2=NN=C(O2)CC3=CNC4=CC=CC=C43 1 2.593 4 2 -21.3767592380555 16187715 C1CC(CN(C1)CC2=CC=CN2C3=CN=CC=C3)C(=O)C4=CC=C(C=C4)Cl 1 4.382 3 1 4.51839506451849 16187714 C1CC(CN(C1)C(=O)C2=NNC(=C2)C3CC3)CCC(=O)N4CCN(CC4)C5=CC=CC=N5 1 2.692 6 2 0 -11.7321164649863 16187713 CCOC(=O)C1(CCN(CC1)CC2=CN=CC=C2)CC3=CC(=CC=C3)OC 1 3.318 2 3 6.66241036228395 16187712 CN(CC1CCOCC1)C(=O)CC2C(=O)NCCN2CC3CCCCC3 1 1.455 3 3 0 -30.6989440951099 16187711 C[C@@H]1CN(C[C@@H](O1)C)C2CCN(CC2)CC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 3.569 4 2 -8.98475164076602 16187710 CC/C(=C\C1=[N+](C2=CC3=CC=CC=C3C=C2O1)CC)/NC4=CC=CC=C4.[I-] I- 1 5.82 2 1 7.24141163552902 16187709 C1CCN(CC1)C2=NC(=NC(=N2)NN=C/C=C/C3=CC(=CC=C3)[N+](=O)[O-])N4CCCCC4 1 3.663 8 2 0 0.473385498376545 16187708 CS(=O)(=O)N1CCC(CC1)OC2=CC=CC=C2C(=O)NC(C3CC3)C4CC4 1 1.851 2 4 0 -24.7139421861257 16187707 CC1=CC=C(O1)CN2CCN(CC2CCO)CC3=CC=C(C=C3)O 1 2.081 2 3 4.77171940604661 16187706 COC1=CC=CC(=C1O)CN2CCCC(C2)C(=O)C3=CC=CC=C3SC 1 4.198 1 3 0.509900880975567 16187705 CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC(CC2)(CC3=CC=C(C=C3)Cl)CO 1 2.462 3 3 0.211650018539417 16187704 COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C3=CN=CC=C3 1 1.192 3 4 0 -14.9163283653898 16187703 COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C3=CC=CC=C3 1 2.343 2 4 -12.5645615851953 16187702 CCOC(=O)CCNC(=O)N1CCCC(C1)CNS(=O)(=O)CC2=CC=CC=C2 1 1.002 3 5 0 -27.1935657328272 16187701 CC1=CC(=CC(=C1OC)C)C(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C 1 2.796 2 5 0 -8.78095266434204 16187700 CC1=C(C=CC=N1)C(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC 1 1.475 3 4 0 -14.4097853615142 16187699 CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=CC(=C(C(=C3)Cl)O)OC 1 4.76 1 3 3.85908808803772 16187698 CC1=CC=CC=C1CN2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC 1 3.488 2 3 -3.48301678664301 16187697 C=CCOC1=CC=CC(=C1)C(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=CS3 1 2.746 2 4 -20.7873006438965 16187696 C1CCC2=C(C1)C=C(C(=O)N2)C(=O)N3CCC4=C(C3C5=CC=CC=C5F)NC6=CC=CC=C46 1 4.572 3 2 -22.0041630322799 16187695 CCN(CC1=CN(N=C1)C)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)S(=O)(=O)N(C)C 1 0.561 5 4 0 -26.7001838716646 16187694 COCC(=O)N1CCCC(C1)CNS(=O)(=O)C2=CC=C(C=C2)OC 1 0.415 2 5 0 -14.7872556709819 16187692 C1CC(CN(C1)CC2=CC3=NON=C3C=C2)CNS(=O)(=O)CC4=CC=CC=C4 1 2.595 4 3 0 -6.19435355580287 16187691 C1CN(CC2=CC=CC=C21)C(=O)C3=NOC(=C3)COC4=C(C=C(C=C4)F)Cl 1 4.299 2 3 -13.2961983401134 16187690 CC1=CC=CC=C1CNC(=O)CC2C(=O)NCCN2CC3CCCCC3 1 2.9 3 2 -34.6674748660566 16187689 CN(CC1=CC(=CC=C1)OC)CC2=NC(=NO2)CC3=CC=CC=C3Cl 1 3.753 3 2 -2.3996517855234 16187688 C1CN(CCC1O)C(=O)C2=NOC(=C2)COC3=CC4=C(C=C3)N=CC=C4 1 1.39 3 4 0 -7.91884617559236 16187687 COC1=CC=CC(=C1)CC2(CCCN(C2)CC3=C(C=CC(=C3)F)N4C=CC=N4)CO 1 4.227 3 2 15.8021882233779 16187686 C1CCC(CC1)N2CCN(CC2CCO)CC3=CC=C(C=C3)N4CCNC4=O 1 2.411 4 2 -8.49538081364026 16187685 CN(C)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3.Br Br- 1 2.76 4 0 1.38393603033899 16187684 C1=C(C=NC(=C1Br)N)[N+](=O)[O-].Br Br- 1 1.114 3 2 0 -1.54571373622384 16187683 CSC1=CC=CC(=C1)NC(=S)N(CCCN2CCCC2)CC3=CC=CS3 1 5.575 3 0 -3.56038227752304 16187682 CC1CCCN(C1)CCCN(CC2=CC=CS2)C(=S)NC3=CC(=CC=C3)SC 1 6.351 3 0 -4.68705836016408 16187681 CC1=N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)N1C3=C(C=C(C=C3)OC)OC 1 2.645 3 5 0 -9.09463431620141 16187680 COC1=CC(=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)NC2=S)OC.Cl Cl- 1 2.782 4 5 0 -16.8823748619585 16187679 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4F 1 3.547 4 4 0 -9.53374704250349 16187678 CCN(CC)CC.COC1=CC=CC=C1N2C(=O)C3=C(NC2=S)N(C(=S)S3)C4=CC=CC=C4 NEt3 1 5.603 3 2 -5.72118881440058 16187677 COC1=CC=CC=C1N2CCN(CC2)C(=O)CNC(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5OC 1 2.539 4 5 0 -18.7688135926922 16187676 COCCCNC(=O)CCCN1C(=O)C2=CC=CC=C2N(C1=O)CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.015 4 6 0 -20.5439126692547 16187675 C1CCC(C1)C2CC/C(=C\C3=CC=CO3)/C2=O 1 3.876 0 2 -0.808840470857026 16187674 CCN(CCN(C)C)C(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)NCCO 1 1.979 3 4 0 -6.52352419742653 16187673 COC1=CC=CC=C1CNC(=O)CNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4OC 1 2.288 3 5 0 -24.7694325143766 16187672 COC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)NCC4=CC=C(C=C4)F 1 2.51 3 4 0 -22.0631145160842 16187671 COC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)N4CCN(CC4)CC5=CC=CC=C5 1 2.467 4 4 0 -17.5536486107023 16187670 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5OC 1 2.539 4 5 0 -17.1924192456805 16187669 CCC1CCCCN1CCCNC(=O)CCCNC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCCC4 1 2.834 5 3 0 -34.2338999429151 16187668 CC1CCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=C(C=C3)OC 1 5.725 3 1 -8.94049188733904 16187667 CC1CCCN(C1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=C(C=C3)OC 1 5.792 3 1 -7.10511019201817 16187666 CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)CC4=CC=CC=C4)CC=C 1 4.91 5 3 0 -17.6349006736823 16187665 C1CCC(C1)C2CC/C(=C\C3=CC=CS3)/C2=O 1 4.434 0 1 -2.99810445885014 16187664 CC1=C(SC=C1)/C=C/2\CCC(C2=O)C3CCCC3 1 4.92 0 1 -2.51083293465266 16187663 CC(C)/C=C/1\CC/C(=C\C2=CN=CC=C2)/C1=O 1 3.206 1 1 -0.531448531389273 16187662 CC1CCN(CC1)CC(=O)N2C(CC3=CC=CC=C32)C.Cl Cl- 1 2.783 2 1 -9.07667890406571 16187661 CC(=NNC(=O)CNC(=O)C1=CC=CS1)C2=CC=C(C=C2)OC 1 1.66 3 3 0 -15.4804516670249 16187660 CCC1CCC(CC1)C(=O)NC(C(C)C)C(=O)NCCCN2CCCCC2C 1 4.091 3 2 -26.5213508344983 16187659 CCCCN(C)CCNC(=O)C(C(C)C)NC(=O)C1CCC(CC1)C 1 3.606 3 2 -22.5295829252626 16187658 CC1CCC(CC1)C(=O)NC(CCSC)C(=O)NCCN2CCC(CC2)C 1 2.931 3 2 -23.9696394256274 16187657 CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)NCCC2=CC=CC=C2 1 4.043 2 2 -22.6139027293433 16187656 CN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)/C=C/3\C(=O)N(C4=CC=CC=C4S3)CC5=CC(=CC=C5)Cl 1 4.895 4 2 -1.58011210425968 16187655 CC1=CC=CC=C1OCCCC2=C(NN=C2C)C.Cl Cl- 1 3.532 2 1 1.90756267583223 16187654 CCCCN(CCCC)CC1=CC=C(O1)C(=O)NNC(=O)NC2=CC=C(C=C2)F 1 4.189 4 3 0 -5.94824129024809 16187653 CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C(=O)NC2=CC=C(C=C2)Br 1 2.457 3 3 -1.51396601193451 16187652 CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C(=O)NC2=CC=C(C=C2)Br 1 2.914 3 3 -0.630636358661183 16187651 COC1=CC=CC(=C1OC)CNCCC2=CNC3=CC=CC=C32.Cl Cl- 1 3.533 2 2 -2.03857086897071 16187650 CC1=NC2=C(S1)N(C3=C2C=C(C=C3)F)CCN4CCCCC4.Cl Cl- 1 3.813 3 0 5.66275397537131 16187649 CC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=CC=C4.Cl Cl- 1 1.655 5 3 0 -4.80896554987487 16187648 CC1=C(C=CC(=C1)N2CCOCC2)/C=C\3/C(=O)N(C(=O)N3)CC4=CC=CC=C4F 1 3.067 3 3 -3.70413104383669 16187647 C1CC(CN(C1)CC2=CC=CN2C3=CC=CC=N3)C(=O)C4=CC=C(C=C4)Cl 1 4.922 3 1 6.05587575126966 16187646 CCOC(=O)C1(CCN(CC1)C2CC3=CC=CC=C3C2)CC4=CC=CC=C4 1 4.909 1 2 8.0613258880128 16187645 CC1=C(OCCO1)C(=O)N2CCCC(C2)CCC(=O)NCC3=CC=CC=C3F 1 1.909 2 4 0 -33.6184710421609 16187644 COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C(=O)C3=CCCC3)OC 1 3.189 1 4 -10.6772616554715 16187643 CN(CCN1C=CN=C1)C(=O)CC2C(=O)NCCN2CC3=CC=CC=C3C(F)(F)F 1 1.115 5 2 0 -28.5632336736167 16187642 CCOC(=O)C1(CCN(CC1)CC2CCC=CC2)CC3=CC(=CC=C3)OC 1 4.629 1 3 10.0088671236536 16187641 CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)C3=CC(=CC=C3)N4CCOCC4 1 3.647 2 3 9.74337670874064e-002 16187640 CCOC(=O)C1(CCN(CC1)CC2=CC3=NON=C3C=C2)CCOC4=CC=CC=C4 1 3.968 3 4 0 8.17162684168206 16187639 C1CC1CC2=NOC(=N2)CN3CCC(C3)C4=CC(=CC=C4)Cl 1 3.302 3 1 2.32910233849678 16187638 CCOC(=O)C1(CCCN(C1)CCCN2C=CC=N2)CC3=CC=CC=C3 1 3.397 3 2 2.46822776248598 16187637 CN(C(C1CC1)C2CC2)C(=O)CCC3=NN=C(O3)C(C4=CC=CC=C4)OC 1 2.479 3 3 -26.4025676697854 16187636 CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=CC=N2)CC3=CC=CC=C3C 1 3.724 2 3 -4.41367680398547 16187578 CCOC(=O)C1(CCCN(C1)C(=O)CCN2C(=CC=N2)C)CC3=CC=CC=C3C 1 3.342 3 3 -16.1116540463493 16187579 C1CCN(C1)C(=O)C2CCN(CC2)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4 1 2.296 3 3 -2.86656373382538e-003 16187580 CC1=CC=CN2C1=NC(=C2)CNC(=O)CC3C(=O)NCCN3CC4=C(C(=CC=C4)OC)OC 1 1.217 5 4 0 -39.6211661925992 16187581 CC1=C(N=C(O1)C2=C(C=CC(=C2)OC)OC)CN(CC=C)C3CCS(=O)(=O)C3 1 2.178 2 5 0 -8.3854816727359 16187582 CN(CC1=NC=CN1)C(=O)CC2C(=O)NCCN2CC3=C(C=CC=C3Cl)F 1 0.965 5 2 0 -40.1782147535631 16187583 CC(C)(C)C1C2=C(CCN1CC3=CC(=CC=C3)OCCO)C4=CC=CC=C4N2 1 4.978 2 2 -8.88916389042956 16187584 CC(=O)NCCC1CCCCN1CC2=NC(=NO2)CC3=CC(=CC=C3)C(F)(F)F 1 2.664 4 2 -8.75200153716188 16187585 CC(C)NC(=O)C1CCN(CC1)C2CCN(CC2)C(=O)C3=C4CCCCC4=CS3 1 3.227 3 2 -11.0142951310568 16187586 CCN(CC1=CC=CC=C1)C(=O)CCC2=NN=C(O2)CCCC3=CC=CC=C3 1 3.898 3 2 -20.7748090445781 16187587 CCOC(=O)C1=C(C=NN1)CN2CCN(C(C2)CCO)CC3=CC=C(C=C3)C 1 2.421 4 3 0 -2.84170272734633 16187588 COC1=CC(=C(C=C1)OC)C2=CC(=NO2)C(=O)NC3=C(C=C(C=C3)F)F 1 3.685 2 4 -5.37227970802939 16187589 CC1=C(N=C(O1)C2=CC(=CC=C2)C(F)(F)F)CN3CCOCC3 1 2.716 2 2 18.242824940738 16187590 CCCNC(=O)N1CCCC(C1)C(=O)C2=CC(=CC=C2)Cl 1 3.123 2 2 -4.73639151144272 16187591 CN1CCCC(C1)C(=O)C2=CC=C(C=C2)Cl 1 2.995 1 1 5.84695349721036 16187592 CC1=C(C=CN=C1)CN(C)CC2=CN(N=C2C3=CC(=CC=C3)Cl)C 1 4.083 4 0 12.9405508779722 16187593 CCN(CC1CCCO1)C(=O)CCC2=NN=C(O2)CC3=CC4=C(C=C3)OCO4 1 1.529 3 5 0 -31.889451002793 16187594 CC1=NC(=NC(=C1)C(=O)N2CCCC(C2)C(=O)C3=CC(=C(C=C3)OC)OC)C 1 2.11 3 4 0 -14.6458315963391 16187595 CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCCN(C2)C3CCC3 1 4.677 1 1 9.31160621391162 16187596 CCOC(=O)C1(CCN(CC1)C(=O)C2=C(N=CC=C2)C)CC3CC3 1 2.261 2 3 -8.91721506792872 16187597 C1CC(CN(C1)C(=O)CN2CCCC2=O)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 2.054 2 3 -13.5934740472937 16187598 CC1=C(N=C(O1)C2=C(C=CC(=C2)F)F)CN3CCN(CC3)C4=NC=NC5=CC=CC=C54 1 3.604 5 1 22.5483034489194 16187599 C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=CC=N4)C(=O)CN5CCOC5=O 1 2.333 4 3 0 -25.0901113567066 16187600 CC(C)(C)C1C2=C(CCN1C(=O)CCOC)C3=CC=CC=C3N2 1 3.194 2 2 -19.766880419649 16187601 C1CN(CCC1N2CCSCC2)CC3=C(NN=C3)C4=CC=C(C=C4)C5=CC=CC=C5 1 4.219 4 0 7.19382968785953 16187635 CCOC(=O)C1(CCCN(C1)C2CCCC2)CC3=CC=CC=C3 1 4.438 1 2 5.0174325196447 16187633 C1CCOC(C1)CC2(CCN(CC2)CC3=NC4=CC=CC=C4N3)CO 1 2.481 3 2 2.97699812087137 16187632 CC1=NC2=C(C(=O)NN2C(=C1)C(F)(F)F)N=NC3=CC=CC=C3 1 2.587 5 1 7.12962136480449e-002 16187631 CCOC(=O)C1(CCN(CC1)CCCN2C=CC=N2)CC3=CC=C(C=C3)Cl 1 3.927 3 2 6.47049227945431 16187630 CC1=CC(=NN1)CN(C)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)Cl 1 3.029 4 3 0 -13.9527111656816 16187629 CCOC1=CC=C(C=C1)N2CC([N+]3=C2CCCC3)(C4=CC=CS4)O.[Br-] Br- 1 3.557 2 2 -9.4008897396396 16187628 COC1=CC=C(C=C1)/C=C/CN2CCN(C(C2)CCO)CC3=CC=CC=C3 1 3.447 2 2 7.21131481435585 16187627 CCN1C=CN=C1CN(C)CC2=NC(=NO2)C3=CC4=C(C=C3)OCO4 1 1.473 5 3 0 3.1298837505331 16187625 CC(C)CC1=NNC(=C1)CN2CCC(CC2)(CC3=CC(=CC=C3)C(F)(F)F)CO 1 4.798 3 1 14.4860435917614 16187624 CCOC(=O)C1(CCN(CC1)CC2=NC(=CS2)C(C)C)CCOC 1 2.696 2 3 5.41903251527933 16187623 CCOC(=O)C1(CCN(CC1)C/C=C/C2=CC=CC=C2)CC3=CC(=CC=C3)OC 1 4.936 1 3 11.0697790482873 16187622 CCOC(=O)C1(CCN(CC1)CC2=CSC(=C2)C(=O)C)CC3=CC(=CC=C3)OC 1 4.162 1 4 6.96915620930744 16187621 COC(C1=CC=CC=C1)C2=NN=C(O2)CCC(=O)N3CCCCCCC3 1 2.64 3 3 -29.0088933410455 16187620 C1=CC=C(C=C1)CCCCC2=NN=C(O2)CCC(=O)NC(C3=CN=CC=C3)C(F)(F)F 1 3.685 4 2 -29.8549249992419 16187619 CC1=CC=C(C=C1)N2C=C(C=N2)CN3CCC(CC3)(CC4=CC=CC=C4)CO 1 4.389 3 1 18.5494558371863 16187618 CC(C)N(CCO)C(=O)CCC1=NN=C(O1)CC2=CC(=CC=C2)C(F)(F)F 1 2.183 3 3 -16.420211777314 16187617 C1CN(C(CN1CC2=CC3=C(C=C2Cl)OCO3)CCO)CC4=CC=CC=C4 1 3.428 2 3 5.7369734300725 16187616 CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3C4=CC(=C(C=C4)OC)OC)C=C2 1 2.601 6 4 0 -23.1597056741336 16187615 CC1=C(SC=C1)CNC.Cl Cl- 1 1.593 1 0 0 -1.06777559836599 16187614 COC1=CC=CC=C1CNN.Cl Cl- 1 0.582 2 1 0 -1.63906791434675 16187613 CC1=CC\2=C(C=C1)N=C(/C2=C\C3=C(N4C(=NC3=O)SN=C4SC)N)C 1 3.612 5 1 -6.02756767091782 16187612 CC(C)CSC1=NSC2=NC(=O)/C(=C\C3=CC=CC=C3)/C(=N)N21 1 4.824 4 1 -13.4783615317012 16187611 CCN1C(=O)C(N(C1=S)CCCN2CCN(CC2)C3=CC=C(C=C3)F)CC(=O)NC4=CC=C(C=C4)OC 1 4.063 5 3 0 -10.865962939563 16187610 CCN1C(=O)C(N(C1=S)CCCN2CCN(CC2)C3=CC=C(C=C3)F)CC(=O)NC4=CC=C(C=C4)F 1 4.285 5 2 0 -11.2793156726364 16187609 CCN1C(=O)C(N(C1=S)CCCN2CCN(CC2)C3=CC=C(C=C3)OC)CC(=O)NC4=CC=C(C=C4)OC 1 3.841 5 4 0 -12.4041589072458 16187608 CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC3=C(C=C2)OCO3)CC4CCCCO4 1 2.598 2 6 0 -14.0631236885073 16187607 C1CC(CN(C1)CC2=CC=CC3=C2C=CN=C3)C(=O)C4=CC(=CC=C4)Cl 1 4.337 2 1 11.8739416871663 16187606 CCOC(=O)C1(CCN(CC1)C(=O)C2CCOCC2)CCC3=CC=CC=C3 1 2.974 1 4 -2.63538776686771 16187605 CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC(=CC=C2)SC)CC3CCCCO3 1 3.372 2 4 -9.00407427401073 16187604 C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4F)C(=O)CC5=CN6C(=NC=N6)N=C5 1 3.643 6 1 0 -24.3424163880724 16187603 CC(=C)CNC(=O)C1=CC=C(C=C1)OC2CCN(CC2)S(=O)(=O)N(C)C 1 0.837 3 4 0 -26.4037339124163 16187602 CCOC(=O)C1(CCN(CC1)C(=O)CCN2CCCCC2=O)CCCC3=CC=CC=C3 1 3.299 2 4 -12.5170752497566 16187577 CC(C)(CNC(=O)CC1C(=O)NCCN1CC2=CC=C(C=C2)C3=CC=CC=C3)CN(C)C 1 2.796 4 2 -30.9315175702304 16187576 COC1=C(C=C(C=C1)C2=C(C=NN2)CN3CCC(CC3)N4CCSCC4)F 1 2.889 4 1 5.36935549861518 16187575 CC1=CC=CN2C1=NC(=C2CNCC3=CN(N=C3C)C)C(=O)N4CCCCC4 1 2.085 6 1 0 -12.0667082877605 16187574 CCOC(=O)C1(CCCN(C1)C(=O)C2=NNC(=C2)C)CC3=CC(=CC=C3)OC 1 2.962 3 4 0 -4.61970591984411 16187573 COC1=CC(=C(C=C1)CN2CCNC(=O)C2CC(=O)N3CCC4=CC=CC=C4C3)OC 1 2.056 3 4 0 -35.3548765014343 16187572 CC(C1=NOC=C1)N(C)CC2=C(NN=C2)C3=CC(=C(C=C3)OC)F 1 3.083 4 2 1.2705251387177 16187571 CCOC(=O)C1(CCN(CC1)C(C)CCN2C=CC=N2)CC3=CC=CC=C3C(F)(F)F 1 4.582 3 2 0.554614901617018 16187570 CSC1=CC=CC=C1NC(=O)N2CCC(CC2)(CC3CCCCO3)CO 1 2.563 2 3 -10.9792963537446 16187569 CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CN4CCC(CC4)CO 1 4.071 3 2 16.3583954363918 16187568 C1CN(C(C(=O)N1)CC(=O)NCCC2=CC=CC=N2)CC3=CC=C(C=C3)C4=CC=CC=C4 1 2.639 4 2 -32.4389855663299 16187567 C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)F)CC5=CC=CN5C6=NC=CC=N6 1 5.554 5 0 -6.496573274756 16187566 C1=COC(=C1)/C=C/C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)CNC(=O)C3=CC=C(C=C3)F 1 3.992 3 5 0 -11.2275449268392 16187565 CN1C=C(C=N1)CCNC(=O)CCC2=NN=C(O2)CCCCC3=CC=CC=C3 1 2.771 5 2 0 -21.3891154276192 16187564 C1CN(CCC1O)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5 1 4.111 3 2 8.26422359590356 16187563 CC(C)(C)CN1CCNC(=O)C1CC(=O)N(C)CC2=NOC=C2 1 0.566 4 3 0 -37.2133948021682 16187562 CC1=C(C(=NO1)C)CC(=O)N2CCCC(C2)C(=O)C3=CC(=C(C=C3)OC)OC 1 2.139 2 5 0 -18.5729166448811 16187561 C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4F)C(=O)C5=NN6C=CC=NC6=C5 1 3.899 5 1 -18.6052399492746 16187560 CN1C=CN=C1CNCC2=CC=C(C=C2)OCC(CN(C)CC3=CC=CC=C3)O 1 2.432 4 2 0.709995053153907 16187559 C1COCCC1CNC(=O)CC2C(=O)NCCN2CC3=CC=C(C=C3)C4=CC=CC=C4 1 2.163 3 3 -32.0199521465312 16187558 CN(CC1=NC=CN1)C(=O)CC2C(=O)NCCN2CC3=CC(=CC(=C3)OC)OC 1 6.2e-002 5 4 0 -38.5615231976595 16187557 CCOC(=O)C1(CCN(CC1)C(=O)[C@@H]2C[C@H](NC(=S)N2)C)CCC3=CC=CC=C3 1 3.355 3 3 1.26756444242483 16187556 CC1=CC2=C(C=C1C)N=C(N2)CN(C)CC3=C(N=C4N3C=C(C=C4)Cl)C(=O)N(C)C 1 3.63 6 1 0 -6.13079326859957 16187555 CC1=CN=C(C(=N1)N2CCN(CC2)CC3=C(OC(=N3)C4=C(C(=CC=C4)F)F)C)C 1 2.31 5 1 20.6807574101067 16187554 C1CC1NC(=O)C2CCN(CC2)C3CCN(CC3)C(=O)CC4=CC5=C(C=C4)OCO5 1 1.327 3 4 0 -9.82911094630224 16187553 CC(C)CN1CCC(CC1)CNC(=O)CCC2=NN=C(O2)CC3=CNC4=CC=CC=C43 1 3.022 5 2 0 -24.0628638623118 16187552 CC1=CC(=NN1CC(C)NCC2=C(NN=C2)C3=CC=CC4=CC=CC=C43)C 1 3.633 5 0 -2.76446084174302 16187551 CC(CC1=CSC=C1)NC(=O)CCC2=NN=C(O2)COC3=CC=CC=C3 1 2.593 3 3 -24.2502236385472 16187550 CC(C)CN1CCN(CC1CCO)CC#CC2=CC=CC=C2 1 3.194 2 1 3.41637401724733 16187549 CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)CN3C(=NC(=N3)C)C 1 2.439 4 2 -1.06001365534226 16187548 CN(CC1=CC(=CC=C1)OC)C(=O)C2=CC(=CC=C2)OC3CCN(CC3)C4CCCC4 1 4.307 2 3 -4.83958315841312 16187547 CN(CC1=CC=C(C=C1)OCC(CN2CCCCC2)O)CC3=CC=NC4=CC=CC=C34 1 4.202 3 2 2.54108615834419 16187546 CN1CCN(CC1)C(=O)CC2C(=O)NCCN2CC3=CC=C(C=C3)C4=CC=CC=C4 1 1.906 4 2 0 -24.7067371158383 16187545 CN(CCC1=CC=CC=N1)C(=O)CCC2CCCN(C2)C(=O)NC3CCCCC3 1 2.985 4 2 -21.6428114278197 16187544 COC1=CC=CC(=C1)CCC2=NN=C(O2)CCC(=O)N3CCN(CC3)CC4=CC=CC=N4 1 2.099 5 3 0 -15.2222312894975 16187543 C1CCN(C1)C(=O)C2=C(N3C=CC=CC3=N2)CN4CCCC(C4)C5=NC6=CC=CC=C6O5 1 3.22 5 2 0 -3.79439749621126 16187542 CC(=O)N1CCN(CC1)CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.233 4 2 -10.9852415315052 16187541 CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)CN4CCN(CC4)CC5=NC=CN5C 1 4.876 6 0 20.5373842274019 16187540 COC1=C(C=C(C=C1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)Cl)CN4C=NC=N4 1 4.112 4 2 -0.466183626065939 16187539 CC1=CC=C(C=C1)NC(=O)C2=NOC(=C2[N+](=O)[O-])C(C)C 1 3.152 3 4 0 -5.91195905828401 16187538 CCC1=CC=CC=C1NC(=O)C2=NOC(=C2[N+](=O)[O-])C(C)C 1 3.608 3 4 0 -7.94195093703042 16187537 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NOC(=C2[N+](=O)[O-])C 1 2.045 3 7 0 -16.2485040776276 16187536 CC1=C(C(=NO1)C(=O)NC2=C(N=CC=C2)Cl)[N+](=O)[O-] 1 1.26 4 4 0 -6.71582070054825 16187535 CCOC(=O)C1(CCN(CC1)CC2=CN=C(S2)C)CCOC3=CC=CC=C3 1 3.193 2 3 8.73242135786965 16187534 CCOC(=O)CC(C1=CC=C(C=C1)C)NC(=O)CCC2=C(N3C(=NC(=N3)C)N=C2C)C 1 2.863 5 3 0 -23.9255023563896 16187533 CC1=C(C(=NC2=CC(=NN12)C3=C(C=C(C=C3)OC)OC)C)CCC(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.505 6 3 0 -10.0033449927536 16187532 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)F)C)CCC(=O)NC4=CC=CC=C4 1 3.95 4 1 -10.5960862210483 16187531 CCOC(=O)C1(CCCN(C1)C(=O)C2=CN=CC=C2)CC3=CC(=CC=C3)Cl 1 3.474 2 3 -1.44369702687651 16187530 CC1=CN=C(N1)CCNCC2=CN(N=C2C3=CC=CC=C3Cl)C4=CC=C(C=C4)OC 1 4.246 5 1 16.9778138429296 16187529 CC1=NON=C1OCCNCC2=C(N=C3N2C=C(C=C3)Cl)C(=O)N(C)C 1 1.088 6 3 0 -13.9188225353443 16187528 CN1C=C(C(=N1)C2=CC=CC=C2F)CNCC3=CC=C(C=C3)N4C=CC=N4 1 3.98 5 0 13.4579061049545 16187527 CSC1=CC=CC(=C1)CN2CCC(CC2)(CC3=CC=CC=C3)CO 1 4.218 1 1 15.034583845157 16187526 C1=CC=C2C(=C1)C=CC=C2C3=C(C=NN3)CNCCCN4C5=CC=CC=C5C=N4 1 4.09 5 0 -0.607016635015913 16187525 CC1=C(NC2=C1C=C(C=C2)Cl)CN3CCC(CC3)(CCOC4=CC=CC=C4)CO 1 5.112 2 2 25.2323144182906 16187524 CC1=NC(=C(C(=C1)COC)C#N)SCC[N+](C)(C)CC(=O)C2=CC=CC=C2.[Br-] Br- 1 1.765 3 2 0 -13.0898504303824 16187523 CC(=NNC(=O)CNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC4=C(CCCC4)C=C3 1 3.005 3 4 0 -17.7936180213698 16187522 CC1=C(SC(=C1C(=O)OC)N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]5([C@@H]3C2=O)C6=CC=CC=C6NC5=O)C 1 2.021 3 5 0 -6.6872466322969 16187521 C1=CC(=CC=C1C=NNC2=NC(=CS2)C(=O)O)Br.Br Br- 1 2.615 3 2 -3.72296617880939 16187520 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C(=O)NC3=CC4=CC=CC=C4C=C3 1 2.626 3 4 0 -6.4282511292809 16187518 CCC1=NN=C(N1N)NN/C=C/2\C(=NC3=CC=CC=C32)C.Cl Cl- 1 0.232 7 0 0 -6.70002805717252 16187517 CN1CCN(CC1)CC(=O)NC2=CC(=NC3=CC=CC=C32)N(C)C.Cl Cl- 1 1.181 5 1 0 -3.94368184518334 16187516 C1CC(CN(C1)CC2=C(NN=C2)C3=C(C=C(C=C3)F)F)CCCO 1 3.491 3 1 5.06533651713154 16187515 COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=NN3)CNCC4CCCO4 1 2.872 3 2 2.76553902971225 16187514 CC(C)(C)CN1CCNC(=O)C1CC(=O)NCCC2=CC=CC=C2C(F)(F)F 1 2.954 3 2 -38.3481782456812 16187513 CC(C)(C)CN1CCNC(=O)C1CC(=O)NCCN2CCCC3=CC=CC=C32 1 2.449 4 2 -46.6492913604534 16187512 CC1=CC(=CC(=C1OC)C)C(=O)C2CCCN(C2)C(=O)C3=NN4C(=CC(=NC4=C3)C)C 1 3.478 4 3 0 -11.8942174497875 16187511 CC(C)N(CC1=C(NN=C1)C2=CC(=C(C=C2)OC)F)CC3=NC=CN3C 1 2.942 5 1 2.57268669796219 16187510 CN(CCN1CCOCC1)CC2=C(NN=C2)C3=CC(=C(C=C3)OC)F 1 2.172 4 2 2.00116375729149 16187509 CC(=O)N1CCN(CC1)C(=O)CCC2=NN=C(O2)CCCCC3=CC=CC=C3 1 1.639 4 3 0 -16.6859924365379 16187508 CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)CCN3C=NN=N3 1 1.816 5 2 0 -14.3571198492954 16187507 COC1=C(C=C(C=C1)CC2=NOC(=N2)CN3CCC(=O)NCC3)OC 1 0.615 4 4 0 -22.1062500245062 16187506 CCN(CC1CCCO1)CC2=NC(=NO2)C3=CC(=CC=C3)Cl 1 2.859 3 2 4.21837240235855 16187505 C1CCOC(C1)CCNC(=O)CCC2=NN=C(O2)CCCCC3=CC=CC=C3 1 3.094 3 3 -25.542913541044 16187504 CCN(CC(=C)C)C(=O)CCC1=NN=C(O1)CCC2=CNC3=CC=CC=C32 1 3.215 4 2 -26.9991772929168 16187503 C1CCC(C1)N2CCN(CC2CCO)CC3=CC=CC=N3 1 1.879 3 1 0 0.208353549891716 16187502 CN1C=CN=C1C2CCCCN2CC3=NC(=NO3)CC4=CC(=CC=C4)C(F)(F)F 1 3.386 5 1 2.08173439721579 16187501 COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)CC3=C(NN=C3)C4=CC=C(C=C4)F)OC 1 4.341 3 3 1.96398400686216 16187500 CCN(CC)CCN(C)C(=O)CCC1=NN=C(O1)C2=CC=C(S2)C 1 1.954 4 2 0 -19.09646531232 16187499 CC(C)CN(C)C(=O)CCC1=NN=C(O1)CC2=CC(=CC=C2)C(F)(F)F 1 3.188 3 2 -15.7894866543595 16187498 CC1([C@H]2CC=C([C@@H]1C2)CN3CCC(CC3)(CC4=CC(=CC=C4)OC)CO)C 1 4.216 1 2 20.8495673052775 16187497 COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)CC3=C(NN=C3)C4=CC=CC=C4)OC 1 4.135 3 3 0.777590565081703 16187496 CC1=CC=C(S1)C2=NN=C(O2)CCC(=O)N(C)CC3=NC=CS3 1 1.35 4 2 0 -19.4238540465434 16187495 CC(COC1=CC=CC=C1)N2CCC(CC2)(CCC3=CC=CC=C3)CO 1 4.558 1 2 7.85606115267903 16187494 CCC1=C(C(=NN1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)C 1 3.088 6 2 0 -12.1219490948969 16187493 CCOC(=O)C1(CCN(CC1)CC2=CC=C(O2)CO)CCOC3=CC=CC=C3 1 3.054 1 5 6.52475968158454 16187492 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC(=NO3)CC4CC4 1 1.69 4 3 0 -6.99353150806244 16187491 COC1=CC(=C(C=C1)C(=O)C2CCCN(C2)C3CC4=CC=CC=C4C3)OC 1 4.306 1 3 5.95776022654035 16187490 CC1=CC(=CC(=C1OC)C)C(=O)C2CCCN(C2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 4.219 3 3 -5.60845333717072 16187489 CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=CN=C(S3)N4CCOCC4 1 2.659 3 2 2.56105454628386 16187488 C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=NC=C3 1 2.981 4 2 -5.52743303900495 16187487 CN1C=CC=C1CC2=NN=C(N2CCOC)SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.314 5 4 0 -29.9232410662172 16187486 CC(C)C1=C(C(=NO1)C(=O)N2CCC(CC2)C(=O)N)[N+](=O)[O-] 1 0.77 4 5 0 -7.38368437671563 16187485 CC(C)C1=C(C(=NO1)C(=O)N(C)C2CCCCC2)[N+](=O)[O-] 1 3.154 3 4 0 -6.5328232079682 16187484 CC(C)C1=C(C(=NO1)C(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-] 1 2.925 4 4 0 -3.40815764278661 16187483 C1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCCCC4=CC=CC=C4 1 3.456 3 3 -14.4862494241476 16187482 CC1CCCN(C1)C(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCCC4 1 2.537 3 3 -11.8076755885762 16187481 C1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCCC4=CCCCC4 1 3.422 3 3 -16.07244038655 16187480 CC1CCN(CC1)CCCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4N=C3Cl 1 4.621 3 1 -7.17416987855188 16187479 CC(=C)[C@H]1CCC(=CC1)CN2CCC(CC2)N3CCC(CC3)C(=O)N4CCCC4 1 3.547 3 1 7.64605099622064 16187478 CC1=NON=C1CN(C)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)C4=CN=CC=C4 1 0.997 5 4 0 -19.6474088980652 16187477 CC(=O)NCC1CCCN(C1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 1 3.593 4 3 0 9.3932097110316 16187476 CC1=C(C=NN1C)CN2CCC(CC2)(CC3=CC=C(C=C3)OC)CO 1 2.455 3 2 12.5750147939785 16187475 CN1CCN(CC1C2=CC=CC=C2)C(=O)C3=NOC(=C3)COC4=C(C=C(C=C4)F)Cl 1 4.211 3 3 -1.18979347190413 16187474 COC1=CC=CC(=C1)CNC(=O)CCC2CCCN(C2)C(=O)C3=CC4=CC=CC=C4O3 1 3.855 2 4 -14.583896291343 16187473 CC(C)N1CCN(CC1CCO)CC2=COC=C2 1 1.242 2 2 0 -3.69705923617845 16187472 CC1=CC=C(S1)C2=NC(=C(O2)C)CN(C)C3CCOC3 1 1.964 2 2 0 9.026206071811 16187471 COC1=CC(=C(C=C1)OC)CC2=NN=C(O2)CCC(=O)N3CCCCCC3 1 2.394 3 4 0 -19.8634432280413 16187470 CCC1=CC(=NO1)C(=O)N2CCCC(C2)CCC(=O)NCC3=CC(=CC=C3)OC 1 2.955 3 4 0 -22.7398930761582 16187469 COC1=CC(=C(C=C1)C2=C(C=NN2)CN3CCCOC4=C(C3)C=CC=C4OC)OC 1 3.556 3 4 0 1.23561480097512 16187468 C1CCN(C(=O)C1)CCNC(=O)CCC2=NN=C(O2)CCCCC3=CC=CC=C3 1 2.326 4 3 0 -31.9466957025099 16187467 CC(C)N1CCN(CC1CCO)CC2=C(C=CC(=C2)F)N3C=CC=N3 1 2.57 4 1 0.464423964766995 16187466 COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)CNCC4=CN=C5N4C=CC=C5 1 4.269 5 1 17.8696363746222 16187465 CC(C)NC(=O)C1CCN(CC1)C2CCN(CC2)C(=O)C3=CC4=C(S3)CCCCC4 1 3.554 3 2 -15.018168542952 16187464 CCOC(=O)N1CCN(CC1)CC2=NC(=NO2)CC3=CC(=CC=C3)C(F)(F)F 1 2.673 4 3 0 -4.89805717809906 16187463 CC1=CC(=NN1C)CNC(=O)CCC2=NN=C(O2)CCCC3=CC=CC=C3 1 2.354 5 2 0 -26.2252008930295 16187462 CCN1C=C(C=N1)CNC(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)Cl 1 3.017 4 3 0 -16.429943638287 16187461 C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)C=CN3)CCC(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.21 5 2 0 -10.300623620488 16187460 C1CN(CCN(C1)CC2=NC(=NO2)C3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)F 1 3.063 4 3 0 8.61556274653838 16187459 COCCCC1CCN(CC1)C(=O)CCC2=NN=C(O2)CCCCC3=CC=CC=C3 1 3.686 3 3 -17.8507827790686 16187458 C1CN(C(C(=O)N1)CC(=O)NCCCN2C=CN=C2)CC3=CC(=C(C=C3)F)F 1 0.44 5 2 0 -31.7219491906546 16187457 COC1=C(C=C(C=C1)C(=O)N2CCCC(C2)CCC(=O)NCC3=CC(=C(C=C3)F)F)F 1 3.877 2 3 -18.7901624691785 16187456 CCOC(=O)C1(CCN(CC1)C(=O)C(C)N2C=NC=N2)CCC3=CC=CC=C3 1 2.583 4 3 0 -4.06562970739108 16187454 CC(CCN1C=CC=N1)NC(=O)CCC2=NN=C(O2)C3CCCCC3 1 2.014 5 2 0 -25.6949600384046 16187453 CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O)C.Cl Cl- 1 3.431 3 2 -0.391408391673452 16187452 CC1=CC=C(S1)C2=NC(=C(O2)C)CN(CC3CCC3)CC4CCCO4 1 3.82 2 2 8.34529517588954 16187451 CCN1C=CN=C1CN2CCC3=C(C2C(C)(C)C)NC4=CC=CC=C34 1 4.169 4 0 -10.4739776048644 16187450 COC1=CC(=C(C=C1)OC)CC2=NN=C(O2)CCC(=O)NC3CCCCCCC3 1 3.586 3 4 0 -22.8042912246673 16187449 COC1=C(C=C(C=C1)CC2=NOC(=N2)CN3CCN(CC3)CC4=CC(=CC=C4)Cl)OC 1 3.694 4 3 0 -5.2607314296867 16187448 COC1=CC=C(C=C1)CC2(CCN(CC2)C/C=C/C3=CC=CC=C3OC)CO 1 4.111 1 3 14.2985336429081 16187447 C1CN(CCC1C(=O)NCCC2=CC=CC=C2)C3CCN(CC3)CC4=CC=CO4 1 2.781 3 2 -3.35324150478879 16187446 C1CN(C(CN1CC2=NC(=CS2)C3=CC=CC=C3)CCO)CC4=CC=C(C=C4)F 1 3.797 3 1 9.36362043865314 16187445 COC1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=CC=N4 1 1.827 3 3 0 -7.2674702123267 16187444 C1CN(CCC1CO)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5 1 4.689 3 2 10.3995244886919 16187443 C1=CC=C(C=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC5=CC=C(C=C5)C#N 1 5.154 5 0 -13.5543087105166 16187442 CCOC(=O)C1(CCN(CC1)CC2=CC=NC=C2)CCOC3=CC=CC=C3 1 3.248 2 3 7.69551548419199 16187441 COC1=C/C(=C/NNC(=O)N)/C=C(C1=O)[N+](=O)[O-] 1 -1.438 4 5 0 -2.02919839071719 16187440 C1=CC=[N+](C=C1)/C(=C(\C2=CC=CS2)/[O-])/C(=S)NC3=CC=CC4=CC=CC=C43 1 4.96 2 1 -4.98413596834862 16187439 CN1C(=CC=N1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=C3O 1 2.814 4 4 0 -10.3985920659768 16187438 CCOC1=C/C(=C/NNC(=O)C2=C(ON=C2C3=CC=CC=C3)C)/C=CC1=O 1 1.59 3 4 0 -8.05008803265919 16187437 C1CC(CN(C1)CC2=CC=C(C=C2)N3CCNC3=O)C(=O)C4=CC(=CC=C4)Cl 1 3.72 3 2 -0.752773666518544 16187436 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=C(C=CC=C4OC)OC 1 3.986 3 4 0 -3.59750878377148 16187435 C(CCCNC(=O)OCCO)CCNC(=O)OCCO 1 0.328 2 6 0 -8.61722568917391 16187434 C1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F 1 2.884 3 3 -11.4863236767692 16187433 C=CCN1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl Cl- 1 3.327 2 3 -8.70831538107496 16187431 COC1=C(C=C(C=C1)CN2CCN(C(C2)CCO)CC3=CC(=CC=C3)OC)OC 1 2.946 2 4 -0.492115938649967 16187430 C1CCC(CC1)C2=CC=C(C=C2)OCCN.Cl Cl- 1 3.175 1 1 2.30992605774678 16187429 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 0.31 4 7 0 -25.0920291298585 16187428 CN1C2=C(C=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)OC1=O 1 2.022 4 5 0 -18.1040410301241 16187427 CC1=C(N=C(S1)C)C(C)N(C)CC2=NC(=NO2)C3=CC4=C(C=C3)OCO4 1 2.399 4 3 0 4.04486880595213 16187426 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C[N+]2=CC(=CC(=C2)Br)Br.[Cl-] Cl- 1 4.081 2 3 -4.73695550630861 16187425 CC1=CC=C(O1)C2=CC(=CC=C2)CN3CCN(C(C3)CCO)C4CCN(CC4)C(C)C 1 3.308 3 2 7.09628531402963 16187424 CN(CCC1=CC=CC=N1)C(=O)C2CCC(=O)N(C2C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)OC 1 3.431 3 5 0 -16.172077471346 16187423 CCC1=NN=C(N1N)NN=CC2=CC=CC=C2F.Cl Cl- 1 1.358 6 0 0 -6.30243151074638 16187422 CCC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)N4CCC5(CC4)OCCO5 1 2.891 3 3 -1.79579995378194 16187421 CCCN(CCC)CCCNC(=O)C1C(N(C(=O)C2=CC(=C(C=C12)OC)OC)C)C3=CN=CC=C3 1 2.591 4 4 0 -13.7100817469881 16187420 CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC)C4=CN=CC=C4 1 2.172 3 7 0 -10.4675484963215 16187419 CCOC1=CC=CC=C1NC(=O)N2CCN(CC2)S(=O)(=O)C 1 0.492 3 4 0 -20.994137948048 16187418 CS(=O)(=O)N1CCN(CC1)C(=O)NC2CCCCC2 1 0.441 3 3 0 -21.3967495700217 16187417 COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)S(=O)(=O)C 1 1.5e-002 3 5 0 -23.7765306651523 16187416 CCN1CCN(CC1)CC(COCC2=CC(=C(C(=C2)OC)OC)OC)O.Cl Cl- 1 1.518 2 5 0 -8.95800673950302 16187415 C1C(NC(N=C1C2=CC=CS2)C3=CC(=CC=C3)Br)C4=CC=CC=C4O 1 5.222 2 1 10.7241168139371 16187414 CN(C)C1=C2C(=C(C(=C(C2=NC3=CC=CC=C31)F)F)F)F 1 4.337 2 0 1.18053104519487 16187413 CC[N+]1(CC2CCC(C1)(C2(C)C)C)CC.[I-] I- 1 1.578 1 0 0 -0.965606286634488 16187412 CC[N+]1(CC2CCC(C1)(C2(C)C)C)C.[I-] I- 1 1.229 1 0 0 -1.69514047893878 16187411 COC1=CC=CC(=C1OCC2=CC=C(C=C2)Cl)CNCCO.Cl Cl- 1 3.043 1 3 2.7427309732669 16187410 CCC1C(=C(NC(=[NH+]1)SC)C)C(=O)C2=CC=CC=C2.[I-] I- 1 3.265 2 1 -12.1417885007803 16187409 CC1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)Cl.Cl Cl- 1 3.038 2 1 -4.21014290939822 16187408 CC(C)N1CCC(CC1)N2CCN(CC2CCO)CC3=CC4=NSN=C4C=C3 1 2.377 5 1 4.81512469524253 16187407 CCN(CC)CCC(C)OC(=O)C1=C(C=C(C=C1)O)O.Cl Cl- 1 2.477 1 4 -1.47876665677271 16187406 CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)O)N3CCC4=CC=CC=C4C3.Cl Cl- 1 3.997 5 1 -10.5940390185221 16187405 CC1=[N+](C2=C(N1C)C=C(C=C2)Cl)CC3=CC=CC=C3.[I-] I- 1 4.496 2 0 8.28474513835428 16187403 CC1=C(C=C(C=C1)S(=O)(=O)NNC(=O)C2COC3=CC=CC=C3O2)C 1 2.319 2 5 0 -6.84786241965483 16187402 CC(C)CN1CCNC(=O)C1CC(=O)NCC2=CN(N=C2)C3=CC(=CC=C3)F 1 1.849 5 2 0 -29.8251825500684 16187400 C1=CC(=O)/C(=C/NNC(=O)C2=NON=C2N)/C=C1Br.Cl Cl- 1 -0.516 5 3 0 -10.4444330010289 16187399 C[N+]1(CCCCC1)CCOC.[I-] I- 1 -0.249 1 1 0 -4.84677773639325 16187398 CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C3C(=O)C4=CC=CC=C4C3=O 1 4.033 1 4 -4.57334202422873 16187397 CC1=CC(=N/C(=C/2\C=CC=CC2=O)/N1)NN=C(C)C3=CC=CC=C3 1 2.281 4 1 -11.3235236588767 16187396 C1=CC=C2C(=C1)C=CC3=C2C=CC=[N+]3CC4=CC=C(C=C4)[N+](=O)[O-].[Br-] Br- 1 5.02 2 2 4.20213864978223 16187395 CSCCC(C(=O)O)NC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.95 3 8 0 -32.2488465816237 16187394 CC(=O)NN/C=C/1\C=C(C=C(C1=O)C=NNC(=O)C)C(C)(C)C 1 -0.256 4 3 0 -4.79054705101326 16187393 COCCN1C(=NN=N1)CN2CCSCC2.Cl Cl- 1 -0.292 5 1 0 -20.3890653244368 16187392 CC(C1=CC2=CC=CC=C2O1)N(CCCN3CCOCC3)C(=S)NC4=CC(=CC=C4)OC 1 5.369 3 3 -2.76031119875954 16187391 CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC(=C(C=C4)OC)OC 1 5.467 4 3 0 -21.5100862154632 16187390 CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC=CC(=C4)C 1 5.986 4 1 -14.2923219131011 16187389 CCCCCCCCCCCCCCCCN1C=C[N+](=C1)CC(=O)C.[Br-] Br- 1 7.65 2 1 2.16838639480472 16187388 CC1CCCN(C1)C(C2=NN=NN2CCOC)C(C)C.Cl Cl- 1 1.839 5 1 0 -18.0830534808753 16187387 CC(C)C(C1=NN=NN1CCOC)N2CCSCC2.Cl Cl- 1 1.035 5 1 0 -16.153536874315 16187386 COC1=CC=C(C=C1)CN/C=C\2/C3=CC=CC=C3N=C2C(=O)O 1 2.343 2 3 -7.87945489389095 16187383 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C=CN=C2C)O)C3=CC=CC=C3OC.Cl Cl- 1 2.485 3 4 0 -8.73669407605322 16187382 C1CN(CCC1CO)CC2=NC(=NO2)CC3=CC=CC=C3Cl 1 2.197 3 2 -1.32709045568285 16187381 C1CCC(C1)N2CCN(CC2CCO)CC3=CN=C(S3)N4CCOCC4 1 1.119 4 2 0 2.63842209713523 16187380 CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=C(C=CC(=C3)F)N4C=CC=N4 1 4.786 3 1 2.41058556506265 16187379 CC1=CC=CC(=C1)C2=NC=C(C=N2)CN3CCCC(C3)(CC4=CC(=CC=C4)Cl)CO 1 4.803 3 1 28.4461182025369 16187378 CC1=CC(=CC=C1)OCC2CCCN(C2)CC3=NC(=NO3)C4CC4 1 3.254 3 2 3.63779872287324 16187377 CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CNCCC4=NC=CN=C4 1 4.259 5 0 10.5020085009932 16187376 C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=NC(=NO3)CC4=CC=CC=C4F 1 3.735 4 1 0.16187411694985 16187375 CN(CC1=CC(=CC=C1)C(F)(F)F)CC2=NC(=NO2)C3=NC=CN=C3 1 2.14 5 1 5.4055974693308 16187374 CC1=CC=CC=C1CC2(CCCN(C2)CC3=CC=C(S3)C)CO 1 4.183 1 1 16.9544360113401 16187373 CC1=CC=C(S1)C2=NC(=C(O2)C)CN(C)CC3=CC4=NC=CN=C4C=C3 1 3.233 4 1 16.4237408438772 16187372 CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)CN4CCNC(=O)C4CC(=O)OC 1 4.018 4 3 0 -10.2209492053449 16187371 CCOC(=O)C1(CCN(CC1)C(=O)CCC2=NC=CN=C2)CCC3=CC=CC=C3 1 2.478 3 3 -6.35257722343647 16187370 CC1=CC=CC(=C1)C2=NC=C(C=N2)CN3CCN(C(C3)CCO)CCC(C)C 1 3.32 4 1 11.6380943175264 16187369 CC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=CN=C(S3)C 1 2.276 3 1 5.49079318149675 16187368 CCOC(=O)C1(CCN(CC1)CC2=C3C(=CC=C2)OCO3)CC4=CC=CC=C4 1 4.253 1 4 9.84825592455587 16187367 CCOC(=O)C1(CCN(CC1)C(=O)CCN2C=NC=N2)CCC3=CC=CC=C3 1 2.347 4 3 0 -8.71521555325784 16187366 CC(C)CCN1CCN(CC1CCO)CC2=CN=C(N=C2)C3=CC=C(C=C3)OC 1 2.817 4 2 8.12024706193662 16187365 COC1=CC=CC(=C1)C2C3=C(CCN2CCCN4C=CC=N4)C5=CC=CC=C5N3 1 4.413 4 1 -10.1778469349978 16187364 COC1=CC(=C(C=C1)C2C3=C(CCN2CC4=COC=C4)C5=CC=CC=C5N3)F 1 4.945 2 2 -12.8430635084128 16187363 CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=N3)CCOC4=CC=CC=C4 1 3.965 3 4 0 3.9295310688484 16187362 CCOC(=O)C1(CCN(CC1)C2CCN(CC2)C(C)C)CC3=CC=CC=C3C(F)(F)F 1 4.681 2 2 6.61132342423885 16187361 CC(=CCN1CCN(CC1CCO)CC2=CC=C(C=C2)C#CC(C)(C)O)C 1 3.446 2 2 -2.78091135929333 16187360 COC(=O)C1=CC=C(C=C1)CN2CCN(C(C2)CCO)C3CCCC3 1 2.67 2 3 -1.21258618808607 16187359 CC1=CC2=C(O1)C=CC(=C2)C(=O)N3CCC4=C(C3C5=CC=CC=N5)NC6=CC=CC=C46 1 4.719 3 2 -11.1036916274133 16187358 CSC1=CC=CC(=C1)CN2CCN(C(C2)CCO)CC3=CC(=C(C=C3)F)F 1 3.948 2 1 7.45006802279279 16187357 CCOC(=O)N1CCC(CC1)N2CCN(C(C2)CCO)C3CCCC3 1 1.593 3 3 0 -2.01355868144736 16187356 CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC(=C(C=C2)C)C)CC3CCCCO3 1 3.802 2 4 -11.3544689378856 16187355 CCOC(=O)C1(CCN(CC1)C2CCSCC2)CCC3=CC=CC=C3 1 3.943 1 2 8.64374195708917 16187354 CCOC(=O)C1(CCN(CC1)CC2=CN=C(N=C2)C3=CC(=CC=C3)C)CCOC 1 2.963 3 3 15.9122135585165 16187353 CC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=C(C=C(C=C3)N4C=CC=N4)C 1 4.195 4 1 8.60546409576635 16187352 CC1=CC(=NO1)C(=O)N2CCC3=C(C2C4=C(C=CC=C4Cl)F)NC5=CC=CC=C35 1 4.89 3 2 -21.1724105836332 16187351 CCOC(=O)C1(CCN(CC1)C(=O)NCC2=CC=CC=C2)CC3CCCCO3 1 2.837 2 4 -14.003934721986 16187350 CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=CC=C2SC)CC3CCCCO3 1 3.372 2 4 -16.5136955022547 16187349 CCOC(=O)C1(CCN(CC1)C(=O)C2=C(N=CO2)C)CC3CC3 1 1.601 2 4 0 -15.5480686651672 16187348 CC(C)N1CCC(CC1)N2CCN(CC2CCO)C3CCCC3 1 2.068 3 1 0.390218527925705 16187347 CCCOC1CCCN(C1)C(=O)CCC2=NN=C(O2)CCCCC3=CC=CC=C3 1 3.654 3 3 -14.6861257670804 16187346 CN1C=CN=C1C2CCCCN2C(=O)C3=NOC(=C3)COC4=C(C=C(C=C4)F)Cl 1 3.564 4 3 0 -5.37214788910414 16187345 C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)NC=C3)CCC(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.21 5 2 0 -9.35195645663721 16187344 CCOC(=O)C1(CCN(CC1)CC2=CN=C(S2)C)CCCC3=CC=CC=C3 1 4.191 2 2 8.99746869395633 16187343 CC(=O)C1=CC=C(S1)C2=NN=C(O2)CCC(=O)N(C)CC3=CC=CC4=C3C=CN=C4 1 2.345 4 3 0 -18.8281712796727 16187342 CCN1C(=C(C(=N1)C)CN2CCCC(C2)(CC3=CC(=CC=C3)Cl)CO)C 1 3.902 3 1 14.9572652958472 16187341 CC(=CCN1CCN(CC1CCO)CC2=CC=C(C=C2)NC(=O)C)C 1 1.998 3 2 0 -5.61624952362806 16187340 CC1=NC(=CS1)C(=O)N2CCC3=C(C2C4=C(C=CC(=C4)F)F)NC5=CC=CC=C35 1 4.548 3 1 -17.9852348824496 16187339 CCOC(=O)C1(CCN(CC1)C(=O)CN2CCOC2=O)CC3=CC=CC=C3Cl 1 2.553 2 5 0 -12.7108304497592 16187338 CCOC(=O)C1(CCN(CC1)CC2CC2)CC3=CC(=CC=C3)F 1 3.927 1 2 8.56854923671018 16187337 CCOC(=O)C1(CCCN(C1)CC2=CC=C(C=C2)NC(=O)C)CC3=CC=CC=C3C 1 4.226 2 3 2.30615078732274 16187336 CC1=CC=CC(=N1)C(=O)N2CCC3=C(C2CC(C)C)NC4=CC=CC=C34 1 4.55 3 1 -20.4305670901729 16187335 COC1=C(C=C(C=C1)C2=C(C=NN2)CNCCCSC)F 1 2.486 3 1 -2.65506272000233 16187334 CC1=CC(=CC=C1)N2C=CN=C2CN3CCN(C(C3)CCO)C4CCCC4 1 3.163 4 1 7.34361504890459 16187333 C1CCC(C1)N2CCN(CC2CCO)CC3=CC=CN3C4=CN=CC=C4 1 2.618 4 1 -2.28937712995798 16187332 CSCC(=O)N1CCCC(C1)CNC(=O)C2=CC=CC=C2Cl 1 2.137 2 2 -18.833234469339 16187331 C1CCN(C(C1)CCN2CCCC2=O)CC3=NC(=NO3)C4=NC=CN=C4 1 0.276 6 2 0 -13.5348447004051 16187330 CCCOC1CCCN(C1)C(=O)CCC2=NN=C(O2)CC3=CC=CC(=C3)C 1 2.771 3 3 -16.6622632639968 16187329 COC1=CC=C(C=C1)OC2CCN(CC2)C(=O)CCC3=NN=C(O3)C4=CSC=C4 1 2.269 3 4 0 -15.2347109047262 16187328 CC(=CCN1CCN(CC1CCO)CC2=CC=CN2C3=NC=CS3)C 1 2.829 4 1 -5.08312012385133 16187327 CC1=NC=CN1CCN(C)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5 1 3.854 5 2 0 5.14281959813207 16187326 C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=CC=N4)C(=O)CC5=CSC=C5 1 3.967 3 1 -16.0466057934323 16187325 CC1=CC=CC=C1C2CCCN(C2)CC3=NC(=NO3)CC4CC4 1 3.58 3 1 -0.106941739454719 16187324 CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)C3=NNC4=C3CCCC4 1 4.661 3 2 -0.62240379826071 16187323 CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)CC3=CN=CC=C3 1 3.306 2 1 8.53612956783199 16187322 CCOC(=O)C1(CCN(CC1)C(=O)CCC2=CN(N=C2)C)CCC3=CC=CC=C3 1 3.422 3 3 -2.23149372764636 16187321 COC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)N3CCCC3(CC=C)CC=C 1 2.636 3 3 -33.1796083364954 16187320 COCCCNC1=NC2=NON=C2N=C1N3C[C@H]4CC[C@H]3C4 1 0.231 6 2 0 -15.866845511195 16187319 CN1C(=O)CCC(=N1)C(=O)N2CCC3=C(C2C4=C(C=CC=C4Cl)F)NC5=CC=CC=C35 1 3.759 4 2 -29.0147770375449 16187318 C1CN(C(CN1CC2=C3C(=CC=C2)OCO3)CCO)CC4=CC=CC=C4 1 2.764 2 3 5.95099064356117 16187317 C1CC(CN(C1)C(=O)C2(CC2)C3=CC=CC=C3)CCC(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.459 4 2 -13.1884639450396 16187316 CCOC(=O)C1(CCN(CC1)CC2=NC(=CS2)C(C)C)CC3CCCCO3 1 3.642 2 3 -3.72494003921035 16187315 CC(C)CC1=NNC(=C1)CN2CCCC(C2)(CC3=CC(=CC=C3)Cl)CO 1 4.655 3 1 16.3784377144203 16187314 C1OC2=C(O1)C=C(C=C2)C3=NOC(=N3)CN(CCO)CC4=CC=CS4 1 2.039 3 4 0 6.97947204593067 16187313 COC1=CC(=C(C=C1)C2=C(C=NN2)CN3CCCO3)F 1 1.671 3 2 0 -2.06698455703967 16187312 CC1=CC(=C(C=C1)C)C2=C(C=NN2)CN3CCCC(C3)(CC4=CC(=CC=C4)OC)CO 1 5.021 3 2 16.2538064929039 16187311 CC1=C(N=C(O1)C2=C(C=CC(=C2)F)F)CN3CCN(CC3)C4=NC=CN=C4 1 1.744 5 1 0 18.187280573055 16187310 CC1=C(C=CC(=C1C)OC)C2=NC(=C(O2)C)CN3CCCCC3C4=NC=CN4C 1 3.965 4 2 20.945744141896 16187309 CCOC(=O)C1(CCN(CC1)CC2=C(OC(=N2)C3=CC=CS3)C)CCOC 1 2.772 2 4 13.4835903353575 16187308 COC1=CC=CC(=C1)C(=O)C2CCCN(C2)CC3=CC4=NON=C4C=C3 1 3.468 3 3 6.54651285078853 16187307 CC(C)CC1C2=C(CCN1C(=O)C3CCOCC3)C4=CC=CC=C4N2 1 3.682 2 2 -20.0641797997077 16187306 C1CN(CCC1C(=O)N2CCOCC2)C3CCN(CC3)C(=O)C4=CC(=CC=C4)Cl 1 1.593 3 3 0 -3.92657546515256 16187305 C1CC(CN(C1)CC2=NC(=NO2)C3=CC=C(C=C3)Cl)C(=O)N4CCOCC4 1 1.86 4 3 0 2.26305482411517 16187304 CC(C)N1CCN(CC1CCO)CC2=CC=NC=C2 1 0.988 3 1 0 0.568299362864848 16187303 CC1=CC=C(O1)C2=NN(C=C2CN(CC3=NC=CN3C)C(C)C)C4=CC(=CC=C4)F 1 4.419 5 1 20.6874434213611 16187302 CC(C)CC1C2=C(CCN1C(=O)C3=CC(=NN3)C(=O)C)C4=CC=CC=C4N2 1 3.893 4 2 -23.5932442210059 16187301 C1CC2CN(CCN2C1)CC3=NC(=NO3)CC4=CC=CC=C4Cl 1 2.633 4 1 1.23936556076828 16187300 CN1C=CN=C1SCCNC(=O)CCC2=NN=C(O2)CCC3=CC=CC=C3 1 2.129 5 2 0 -23.665609990869 16187299 COC(=O)[C@@H]1CCCN1CC2=NC(=NO2)CC3=CC=CC=C3F 1 2.03 3 3 -9.83103922442053 16187298 CC1=CC=C(S1)CNC(=O)C2=NOC(=C2)COC3=C(C=CC=C3F)F 1 3.445 2 3 -13.889867246895 16187297 CCC(C)CN1CCC(CC1)(CC2=CC=CC=C2Cl)CO 1 4.405 1 1 8.17201730074412 16187296 CN(C)C(=O)C1=C(N2C=C(C=CC2=N1)Cl)CNCC3=CC=CC=C3OC(F)(F)F 1 4.533 4 2 -9.33050811008598 16187295 CCOC(=O)C1(CCN(CC1)CC2=CN=C(N=C2)C3=CC=C(C=C3)OC)CC4CC4 1 3.614 3 3 7.58605914639582 16187294 COC(=O)C1=CC=C(C=C1)C2=NOC(=N2)CN(CC3CCCO3)CC4=CC=NC=C4 1 2.134 4 4 0 -1.61247377657444 16187293 CC1=NN(C=C1CN(C)CC2=C(N=C3N2C=CC=C3)C(=O)N(C)CC4=CC=CC=C4)C 1 2.801 6 1 0 -7.74475974307713 16187292 CC1=CC(=NC(=N1)CCNC(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)Cl)C 1 2.942 4 3 0 -16.1173506666867 16187291 CC1=C(C(=NO1)C)CCC(=O)N2CCCC(C2)CCC(=O)NCC3=CC(=C(C=C3)F)F 1 3.061 3 3 -29.0901761742404 16187290 CC(C)N1CCC(CC1)N2CCN(CC2CCO)CC3=CC=C(O3)C4=CC=CC=C4Cl 1 3.905 3 2 7.84454738324945 16187289 CC1=CC(=C(O1)C)C2=NN=C(O2)CCC(=O)N3CCN(CC3)CC4=CC(=CC=C4)F 1 2.16 4 3 0 -14.8721378563435 16187288 C1CCN(CC1)C(=O)CCC2=NN=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4 1 3.455 3 2 -10.5221342060577 16187287 COCCCNC(=O)CCC1=NN=C(O1)CC2=CC=C(C=C2)C3=CC=CC=C3 1 2.298 3 3 -23.1669028163452 16187286 CC1=CC(=CC=C1)N2CCC(CC2)NCC3=C(N=C4N3C=CC=C4C)C(=O)N5CCCCC5 1 3.838 5 1 -5.6984218458651 16187285 C1=CC(=C(C(=C1)F)OCC2=CC(=NO2)C(=O)NCC3=CC=C(S3)Cl)F 1 3.759 2 3 -11.2649038313063 16187284 CCOC(=O)C1(CCN(CC1)CC2=CN(N=C2)C)CCCC3=CC=CC=C3 1 4.047 3 2 7.54805321725672 16187283 CC(C)CN1CCN(CC1CCO)CC2=NC(=CS2)C(C)C 1 2.665 3 1 0.98144111728922 16187282 COC1=CC=CC=C1/C=C/CN2CCN(C(C2)CCO)CC3=CC=C(C=C3)F 1 3.652 2 2 7.03113153955798 16187281 CN(CCCC1CCCC1)C(=O)CCC2=NN=C(O2)C(C3=CC=CC=C3)OC 1 3.387 3 3 -29.7497000078307 16187280 CC1=CC(=NN1CCNCC2=C(NN=C2)C3=CC4=C(C=C3)C=C(C=C4)OC)C 1 3.24 5 1 -0.314000385799507 16187279 CC1=CC(=NN1CCN(C)CC2=NC(=NO2)CC3=CC=CC=C3F)C 1 2.453 5 1 -11.117193799838 16187278 C1CN(C(CN1CC2=CC(=CC=C2)C(F)(F)F)CCO)CC3=CC=CC=C3 1 3.938 2 1 7.22036939855164 16187277 CCOC1=CC=C(C=C1)C2C3=C(CCN2CC4=CC=CN4C5=NC=CC=N5)C6=CC=CC=C6N3 1 5.681 5 1 -8.38763966107342 16187276 CN1C=CN=C1CN(C)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 1 3.715 5 2 0 17.5310176309642 16187275 COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)CNC4CCC(CC4)O 1 4.351 3 2 21.2135966435506 16187274 CC1=C(C(=NO1)C)C(=O)N2CCCC(C2)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 3.079 2 3 -5.25073567992215 16187273 CC(CC1=CC=CC=N1)NC(=O)CCC2=NN=C(O2)C3CCCCC3 1 2.549 4 2 -23.5784001705733 16187271 CC1=C(C(=NN1C)C)NC(=O)CCl.Cl Cl- 1 0.561 3 1 0 -5.55694561404223 16187270 CCOC(=O)CN(C)C(=O)CCC1=NN=C(O1)C2=CSC=C2 1 0.737 3 4 0 -20.9597754052853 16187269 CC(C)CN1CCN(CC1CCO)CC2=CC=CN2C3=NC=C(C=C3)Cl 1 3.611 4 1 0.771216253285209 16187268 CCN1C=CN=C1CN2CCN(C(C2)CCO)CC(C)C 1 1.239 4 1 0 -2.89587813774662 16187267 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CC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=C4C(=CC=C3)OCO4 1 3.25 2 3 6.86319977486555 16187243 COC1=CC(=C(C=C1)OC)CN2CCN(C(C2)CCO)CCC3=CC=CC=C3 1 3.284 2 3 4.41575372030208 16187242 C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4F)CC5=CC=CN5C6=NC=CC=N6 1 5.554 5 0 -9.0626297236013 16187241 COC1=CC=CC(=C1OC)C(C2=NN=NN2CC3=CC=CO3)N4CCN(CC4)CC5=CC=CC=C5.Cl Cl- 1 3.399 6 3 0 -13.9853052778784 16187240 CCC1=NOC(=C1)CNC(=O)CC2C(=O)NCCN2CC3=C(C=CC=C3Cl)F 1 2.16 4 3 0 -49.3915513292786 16187239 CC1=NN(C=C1CN2CCCC(C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C 1 4.365 3 1 10.9966466907671 16187238 CC(C)N1C=C(C=N1)CN2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C 1 4 3 2 4.23579422578523 16187237 COC1=CC=CC(=C1)C(=O)C2CCCN(C2)CC3=CC=CN3C4=CC=CC=N4 1 4.241 3 2 2.69368629675855 16187236 CC(C)CCN1CCN(CC1CCO)CC2=NC(=CS2)C3=CC=CC=C3 1 3.588 3 1 5.19052574021504 16187235 COC1=C/C(=C/NNC2=NN=CN2N/C=C\3/C=CC(=O)C(=C3)OC)/C=CC1=O 1 -1.409 6 4 0 -2.34597247807708 16187234 CCCCCCCN1C2=C(CCC2)C(=N)C3=CC=CC=C31.I I- 1 5.43 2 0 -5.43310470769383 16187233 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CC(CCN1C=CC=N1)NC(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)F)Cl 1 3.174 4 3 0 -17.7811454474546 16187221 COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=NN3)CN4CCCCO4 1 2.954 3 2 0.830811031748306 16187220 CC1=NC=CN1CCCNCC2=C(N=C3N2C=C(C=C3)Cl)C(=O)N4CCCCCCC4 1 2.724 6 1 0 -12.9394655395068 16187219 CC(C)CC1=CC(=NN1)C(=O)N2CCC(CC2)N3CCC(CC3)C(=O)N4CCCC4 1 2.094 5 2 0 -4.82498717478104 16187218 CC1=CC=CC=C1C2=NN(C=C2CNCCN(C)C)C3=C(C=C(C=C3)F)F 1 4.576 4 0 14.7488847067965 16187217 CC1=CC=CC=C1C2=NN(C=C2CNCCCN(C)C)C3=C(C=C(C=C3)F)F 1 4.639 4 0 13.1832659839651 16187216 CN(CC1=CC=C(C=C1)F)C(=O)CCC2=NN=C(O2)C3=CC=CC=C3 1 2.808 3 2 -12.959929993323 16187215 CC1=CC(=C(S1)C)C2=NN(C=C2CN3CCCC(C3)CO)C4=CC=CC=C4F 1 4.251 3 1 15.4431320052793 16187214 COC(=O)C1=CC=C(C=C1)CN2CCN(C(C2)CCO)CC3=CC=C(C=C3)F 1 3.057 2 3 0.596079101639142 16187213 CCOC(=O)C1(CCCN(C1)C2CCN(CC2)C(=O)C)CC3=CC(=CC=C3)Cl 1 3.071 2 3 4.51058055937833 16187212 C1CN(CCC1(CCOC2=CC=CC=C2)CO)CCCN3C=CC=N3 1 2.367 3 2 8.86552052183339 16187211 C1CC(=O)N[C@@H]1CN(CC2=CC=CC=C2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4 1 3.812 4 2 2.35891917345021 16187210 CCOC(=O)C1(CCN(CC1)CC2=C(C=C(C=C2)OC)F)CC3CCCCO3 1 3.77 1 4 -3.35064795015567 16187209 C1CC(CN(C1)C(=O)C2=COC=C2)C(=O)C3=CC(=CC=C3)Cl 1 3.023 1 3 -2.83537793427613 16187208 CC1=CC=C(O1)C2=NC(=C(O2)C)CN3CCCCC3C4=CC(=CC=C4)F 1 4.362 2 2 16.4849321241304 16187207 CC(C)CCN1CCN(CC1CCO)CC2=CC=CN2C3=NC=C(C=C3)Cl 1 4 4 1 1.3172539286021 16187206 C[N+](C)(C)CCN1C(=O)CSC1=O.[I-] I- 1 -0.965 2 2 0 -12.5272300274602 16187205 C1=CC2=C3C(=C1)NC(=NC3=CC=C2)CCl.Cl Cl- 1 2.398 2 0 -2.75095826078547 16187204 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC(C[C@H]3C(=O)OCC(=O)N)O 1 -1.201 2 8 0 -15.6190078688044 16187202 C1=CC(=CC(=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NC(=O)N)C(F)(F)F 1 3.682 5 4 0 -6.23272093890666 16187197 CC1=C(C2=CC=CC=C2N1)C(=O)/C(=C\C3=CC(=C(C=C3)OCC#N)OC)/C#N 1 3.677 3 3 -9.92303077892534 16187196 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.616 2 6 0 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CC[N+]1=C(SC2=C1C3=CC=CC=C3S2)C.[I-] I- 1 3.699 1 0 3.97213396514557 16187049 CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3)NC(=O)NC4=CC=CC=C4 1 4.55 4 1 -2.94143017705024 16187048 CC(C)CNC1CCS(=O)(=O)C1.Cl Cl- 1 0.483 1 2 0 -10.2250022293627 16187047 C1CCN(C1)CCNC(=O)CC2=CC=CC=C2.Cl Cl- 1 1.672 2 1 0 -9.08212038374546 16187046 CC(CN1CCN(CC1)C)OC(=O)C2=CC(=CC=C2)Cl.Cl Cl- 1 2.823 2 2 -0.71829643580547 16187045 C1CCC(CC1)NC(=O)CN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CO4 1 3.451 2 3 -12.5762387922526 16187044 C1=CC=C(C=C1)/C=C/CN2C=NC3=C(C2=O)N=NN3C4=CC=CC=C4 1 3.319 5 1 -0.58649168196178 16187043 CCCC1=NC2=C(C(=N1)SCC(=O)NC3=NN=C(S3)SCC)C(=O)N(C(=O)N2C)C 1 2.439 7 3 0 -28.3668950732032 16187042 C1=CSC(=C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl.Cl Cl- 1 4.302 2 1 -3.14097539646467 16187040 CC1=CC=CN2C1=NC(=C2)CNC(=O)C3=CC=C(O3)Br 1 2.026 3 2 -11.9417747138093 16187039 CCN(CC)CC1=CC(=C(O1)C2=CC=CC=C2)C(=O)O.Cl Cl- 1 0.187 1 3 0 2.02184879745764 16187037 CC1=CC(=NO1)NC(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5=CC=C(C=C5)F 1 3.672 6 2 0 -23.4210306582588 16187036 CC(C)CNC1CS(=O)(=O)CC1O.Cl Cl- 1 -9.e-002 1 3 0 -7.28344123074914 16187034 C1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)Cl 1 3.195 5 2 0 -10.4747360036227 16187033 C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC(=CC=C3)O)NCCO.Cl Cl- 1 1.916 4 2 0 6.83409223881805 16134383 CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC([C@H](C)O)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)[C@@H](C)NC(=O)C(CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](CC3=CC=C(C=C3)O)N 1 -16.318 44 42 0 -52.7732566930542 16114799 CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)C(=O)O)OC)OC)OC 1 2.615 1 6 0 -8.64734672150802 16114198 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C=C[N+](=C2)C.[Br-] Br- 1 5.08 2 2 2.76892880946675 16129571 CC[C@H](C)[C@@H](C(=O)N1CCNCC1)N2C=C(N=N2)[C@H](CC(C)C)N.Cl Cl- 1 1.519 6 1 0 -20.0400960686449 16129570 C1CNCCC1C(=O)N[C@@H](CC(=O)O)C2=NN=C(O2)[C@H](CO)N.Cl Cl- 1 -5.33 5 5 0 -16.6712741733087 16129569 C1CNCCC1C(=O)N[C@@H](CCC(=O)O)C2=NN=C(O2)[C@H](CC3=CC=C(C=C3)O)N.Cl Cl- 1 -2.806 5 5 0 -12.5876527369411 16129568 C1CNCCC1C(=O)N[C@@H](CCCCN)C2=NN=C(O2)CN.Cl Cl- 1 -1.681 6 2 0 -18.4733036197422 16129567 CC[C@H](C)C(C(=O)O)N1C=C(N=N1)C2=CC(=CC(=C2)C(=O)N3CCNCC3)C4=CN(N=N4)[C@@H](CCCCN)C(=O)OC.Cl Cl- 1 -0.404 9 5 0 -25.4395203792875 16129566 C1CNCCC1C(=O)N[C@@H](CC(=O)O)C2=NN=C(O2)[C@H](CCCCN)N.Cl Cl- 1 -4.521 6 4 0 -18.3711429084878 16129565 C1=CC(=CN=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 1.167 2 4 0 -11.7900208284525 16129564 C1CN(CCN1)C(=O)[C@H](CCCCN)N2C=C(N=N2)[C@H](CO)N.Cl Cl- 1 -1.979 7 2 0 -17.4799844888473 16129563 CC(C)C[C@@H](C(=O)O)N1C=C(N=N1)C2=CC(=CC(=C2)C3=CN(N=N3)[C@@H](CCC(=O)O)C(=O)O)C(=O)N4CCNCC4.Cl Cl- 1 -0.916 8 7 0 -22.6684623366704 16129562 C1CN(CCN1)C(=O)[C@H](CCC(=O)O)N2C=C(N=N2)C(CO)N.Cl Cl- 1 -4.902 6 4 0 -20.5458422138746 16129561 COC(=O)[C@H](CCCCN)N1C=C(N=N1)C2=CC(=CC(=C2)C3=CN(N=N3)[C@@H](CC4=CNC5=CC=CC=C54)C(=O)OC)C(=O)N6CCNCC6.Cl Cl- 1 3.076 10 5 0 -18.9445614830412 16129560 CC(C)C[C@@H](C1=CN(N=N1)[C@@H](CCCCN)C(=O)N2CCNCC2)N.Cl Cl- 1 0.141 7 1 0 -19.6119126763521 16129559 CCC(C)[C@@H](C1=CN(N=N1)[C@@H](CC2=CC3=CC=CC=C3N2)C(=O)N4CCNCC4)N.Cl Cl- 1 2.142 7 1 0 -12.7164907453292 16129558 CCC(C)[C@@H](C(=O)N1CCNCC1)N2C=C(N=N2)CCCCN.Cl Cl- 1 0.829 6 1 0 -19.2957757259256 16129557 CC[C@H](C)[C@@H](C(=O)N1CCNCC1)N2C=C(N=N2)[C@H](CC3=CC=C(C=C3)O)N.Cl Cl- 1 1.602 6 2 0 -13.3350334999555 16129556 C1CNCCC1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C3=NN=C(O3)[C@H](CO)N.Cl Cl- 1 -0.692 5 4 0 -7.367842121271 16129555 C1CN(CCN1)C(=O)CN2C=C(N=N2)CCCCN.Cl Cl- 1 -0.954 6 1 0 -20.6856688589198 16129554 CCC(C)[C@@H](C(=O)N1CCNCC1)N2C=C(N=N2)CCCN=C(N)N.Cl Cl- 1 0.239 8 1 0 -20.1793342906863 16129553 COC(=O)[C@H](CCCCN)N1C=C(N=N1)C2=CC(=CC(=C2)C3=CN(N=N3)[C@@H](CC4=CC=C(C=C4)O)C(=O)OC)C(=O)N5CCNCC5.Cl Cl- 1 2.541 9 6 0 -14.7404331643512 16129552 C1CNCCC1C(=O)N[C@@H](CO)C2=NN=C(O2)[C@H](CC3=CC=C(C=C3)O)N.Cl Cl- 1 -0.692 5 4 0 -7.82192627673474 16129551 CCC(C)[C@@H](C1=CN(N=N1)[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCNCC3)N.Cl Cl- 1 1.602 6 2 0 -14.4815518464549 16129550 COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N3C=C(N=N3)C4=CC(=CC(=C4)C5=CN(N=N5)[C@@H](CC6=CC=C(C=C6)O)C(=O)O)C(=O)N7CCNCC7.Cl Cl- 1 1.539 9 6 0 -15.5228937986333 16129549 CC(C)CC(C1=CN(N=N1)[C@@H](CCC(=O)O)C(=O)N2CCNCC2)N.Cl Cl- 1 -2.782 6 3 0 -22.4010298553203 16129548 C1CNCCC1C(=O)N[C@@H](CCC(=O)O)C2=NN=C(O2)[C@H](CCCCN)N.Cl Cl- 1 -4.199 6 4 0 -18.4433695542639 16129547 CC([C@@H](C(=O)N1CCNCC1)N2C=C(N=N2)CCCCN)O.Cl Cl- 1 -0.981 6 2 0 -16.1968034733407 16129546 CC(C)C[C@@H](C(=O)O)N1C=C(N=N1)C2=CC(=CC(=C2)C(=O)N3CCNCC3)C4=CN(N=N4)[C@@H](CC5=CNC6=CC=CC=C65)C(=O)OC.Cl Cl- 1 1.457 9 5 0 -21.3946589608922 16129545 CC(C)C[C@@H](C1=CN(N=N1)[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCNCC3)N.Cl Cl- 1 1.534 6 2 0 -12.9222373928608 16129544 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=CC=NC=C2.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 1.409 2 3 0 -13.039526324767 16129543 CC[C@@H](C)[C@@H](C(=O)N1CCNCC1)N2C=C(N=N2)CCC(=O)O.Cl Cl- 1 -2.094 5 3 0 -22.8106639850801 16129542 CCCCC1=CN(N=N1)[C@@H](CCCCN)C(=O)N2CCNCC2.Cl Cl- 1 0.966 6 1 0 -18.5606325203939 16129541 C1CN(CCN1)C(=O)[C@H](CC2=CC3=CC=CC=C3N2)N4C=C(N=N4)[C@H](CO)N.Cl Cl- 1 -4.5e-002 7 2 0 -9.02524810423041 16129540 C1CN(CCN1)C(=O)CN2C=C(N=N2)CCCN=C(N)N.Cl Cl- 1 -1.544 8 1 0 -21.5692274236805 16129539 COC(=O)[C@H](CC1=CC=C(C=C1)O)N2C=C(N=N2)C3=CC(=CC(=C3)C(=O)N4CCNCC4)C5=CN(N=N5)[C@@H](CO)C(=O)OC.Cl Cl- 1 1.732 8 7 0 -13.0405644291721 16129538 CC[C@H](C)[C@@H](C(=O)N1CCNCC1)N2C=C(N=N2)[C@H](CO)N.Cl Cl- 1 -0.6 6 2 0 -18.0480995022087 16129537 CC(C)C[C@@H](C(=O)O)N1C=C(N=N1)C2=CC(=CC(=C2)C(=O)N3CCNCC3)C4=CN(N=N4)[C@@H](CCCCN)C(=O)OC.Cl Cl- 1 -0.471 9 5 0 -23.8802059256934 16129536 CCC(C)[C@@H](C1=CN(N=N1)[C@@H](CCCCN)C(=O)N2CCNCC2)N.Cl Cl- 1 0.209 7 1 0 -21.1712271299462 16129535 CN(C)[C@@H](CO)C1=NN=C(O1)[C@H](CCC(=O)O)NC(=O)C2CCNCC2.Cl Cl- 1 -4.371 5 5 0 -15.8305484443708 16129534 CC(C)C[C@@H](C1=CN(N=N1)[C@@H](CC2=CC3=CC=CC=C3N2)C(=O)N4CCNCC4)N.Cl Cl- 1 2.075 7 1 0 -11.1571762917352 16129533 C1CNCCC1C(=O)N[C@@H](CC(=O)O)C2=NN=C(O2)[C@H](CC3=CC=C(C=C3)O)N.Cl Cl- 1 -3.128 5 5 0 -11.9582081710555 16129532 C1CNCCC1C(=O)N[C@@H](CCCCN)C2=NN=C(O2)[C@H](CC3=CC=C(C=C3)O)N.Cl Cl- 1 0.117 6 3 0 -9.52179501191386 16129531 C1CN(CCN1)C(=O)[C@H](CCCCN)N2C=C(N=N2)CCC(=O)O.Cl Cl- 1 -3.473 6 3 0 -22.2425489717187 16129530 C1CN(CCN1)C(=O)[C@H](CCC(=O)O)N2C=C(N=N2)C(CC3=CC=C(C=C3)O)N.Cl Cl- 1 -2.7 6 4 0 -15.8327762116214 16129529 CN(C)[C@@H](CO)C1=NN=C(O1)[C@H](CC(=O)O)NC(=O)C2CCNCC2.Cl Cl- 1 -4.692 5 5 0 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C[C@@]12CCC=C[C@H]1[C@@H](N(C2=O)CC3=CC=CC=C3)C4=C(C=C(C=C4)/C=C/C5=CC=CC=C5)F 1 6.517 1 1 0.391537056739696 16060480 C[C@@]12CCC=C[C@H]1[C@@H](N(C2=O)CC3=CC=CC=C3)C4=C(C=C(C=C4)C5=CC(=C(C=C5)OC)OC)F 1 6.016 1 3 -1.64698823519432 16060479 C[C@@]12CCC=C[C@H]1[C@@H](N(C2=O)CC3=CC=CC=C3)C4=C(C=C(C=C4)C5=CC=C(C=C5)N(C)C)F 1 6.211 2 1 0.915405709202267 16060478 CC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)[C@H]3[C@@H]4C=CCC[C@]4(C(=O)N3CC5=CC=CC=C5)C)F 1 5.789 1 2 -1.04521668458802 16060477 C[C@@]12CCC=C[C@H]1[C@@H](N(C2=O)CC3=CC=CC=C3)C4=C(C=C(C=C4)C5=CC=C(C=C5)OC)F 1 6.033 1 2 3.16372587867078 16060476 CC1=CC=C(C=C1)C2=CC(=C(C=C2)[C@H]3[C@@H]4C=CCC[C@]4(C(=O)N3CC5=CC=CC=C5)C)F 1 6.535 1 1 3.57669208781492 16060474 C[C@@]12CCC=C[C@H]1[C@@H](N(C2=O)CC3=CC=CC=C3)C4=C(C5=CC=CC=C5C=C4)Br 1 5.982 1 1 1.70374824095398 16060470 C[C@@]12CCC=C[C@H]1[C@@H](N(C2=O)CC3=CC=CC=C3)C4=C(C=CC(=C4)Br)OC 1 5.057 1 2 -1.31285880557834 16060441 CCOC(=O)/C=C/CN(C(=O)OC(C)(C)C)S(=O)(=O)N1CC=CC1 1 1.343 2 6 0 -10.466947309092 16060422 COC(=O)CN1CC(=C)C2=CC=CC=C2S1(=O)=O 1 0.919 1 4 0 -5.08075301743686 16060407 CC1=CC=CC=C1C2=CC(=O)C3=C(O2)C=CC=C3O 1 3.38 0 3 5.50107839210141 16060400 CCC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=C(C=C2)O)C(=O)C=C(O3)C4=CC=CC=C4Cl 1 4.988 1 5 2.45783350460679 16060398 CC1=C(C(=NO1)C)S(=O)(=O)NC2=C3C(=C(C=C2)O)C(=O)C=C(O3)C4=CC=CC=C4Cl 1 2.928 2 6 0 1.1795381668571 16060397 C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=CC(=C3O2)NS(=O)(=O)C4=CC=CC5=NSN=C54)O)Cl 1 4.174 3 5 0 1.42064157780378 16060395 C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=CC(=C3O2)NS(=O)(=O)C4=CC=CS4)O)Cl 1 3.833 1 5 1.48276790520933 16060394 C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=CC(=C3O2)NS(=O)(=O)C4=CC=CC=C4OC(F)(F)F)O)Cl 1 6.166 1 6 0 1.6303630462724 16060393 C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=CC(=C3O2)NS(=O)(=O)C4=CC=CC=C4C(F)(F)F)O)Cl 1 4.988 1 5 2.19876064724607 16060391 COC1=CC=CC=C1C2=CC(=O)C3=C(C=CC(=C3O2)[N+](=O)[O-])O 1 2.772 1 6 0 1.69339807599388 16060388 COC1=CC=C(C=C1)C(=O)NC2=C(C3=C(C=C2)OC(=CC3=O)C4=CC(=CC=C4)Cl)O 1 4.327 1 5 1.10529179571329 16060385 C1=CC(=CC(=C1)Cl)C2=CC(=O)C3=C(O2)C=CC=C3O 1 3.558 0 3 9.1430361846415 16060384 C1=CC(=CC(=C1)Br)C2=CC(=O)C3=C(O2)C=CC=C3O 1 3.642 0 3 7.34911420909899 16060383 C1=CC(=CC(=C1)Cl)C2=CC(=O)C3=C(C=CC(=C3O2)NC(=O)C4=CC(=CC=C4)Cl)O 1 5.008 1 4 3.53474738710701 16060382 C1=CC=C(C(=C1)C(=O)NC2=C3C(=C(C=C2)O)C(=O)C=C(O3)C4=CC(=CC=C4)Cl)Cl 1 5.008 1 4 3.07629594828102 16060381 C1=CC(=CC(=C1)Cl)C2=CC(=O)C3=C(C=CC(=C3O2)NC(=O)C4=CC=C(C=C4)F)O 1 4.549 1 4 4.94677029146037 16060377 COC1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)O)C(=O)C=C(O3)C4=CC(=CC=C4)Cl 1 4.327 1 5 3.82192705685098 16060374 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)O)C(=O)C=C(O3)C4=CC(=CC=C4)Cl 1 5.743 1 4 6.81302741510642 16060371 C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=CC(=C3O2)NC(=O)C4=CC(=C(C=C4)Cl)Cl)O)Cl 1 5.672 1 4 1.03390524127945 16060370 C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=CC(=C3O2)NC(=O)C4=C(C=C(C=C4)Cl)Cl)O)Cl 1 5.672 1 4 3.8591044118106 16060369 C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=CC(=C3O2)NC(=O)C4=CC=C(C=C4)F)O)Cl 1 4.549 1 4 1.43357485735332 16060368 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)O)C(=O)C=C(O3)C4=CC=CC=C4Cl 1 5.743 1 4 3.29983198099937 16060367 C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=CC(=C3O2)NC(=O)C4=CC=CS4)O)Cl 1 4.297 1 4 -3.64601898180028e-003 16060365 CN(C)C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)O)C(=O)C=C(O3)C4=CC=CC=C4Cl 1 4.505 2 4 -1.93958854672459 16060364 CC1=CC=C(C=C1)/C=C/C(=O)NC2=C3C(=C(C=C2)O)C(=O)C=C(O3)C4=CC=CC=C4Cl 1 5.297 1 4 1.58083954896953 16060362 C1[C@@H]([C@@H]([C@H](OP1(=O)OC2=CC=CC=C2)COCC3=CC=CC=C3)O)NC(=O)C(Cl)(Cl)Cl 1 2.946 1 6 0 -9.3727259708609 16060361 C[C@@H]1[C@H](C=CP(=O)(O1)OC)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.898 2 7 0 -9.1102179346169 16060360 C[C@@H]1[C@@H]([C@H]([C@H](P(=O)(O1)OC2=CC=CC=C2)O)O)N=[N+]=[N-] 1 1.395 3 5 0 -1.85008438761045 16060358 COP1(=O)C[C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)O)O 1 -0.227 0 6 0 -4.3127477349344 16060354 C[C@@H]1C=CCP(=O)(O1)OC2=CC=CC=C2 1 1.922 0 3 0 -0.977103453330196 16060353 C1C=C[C@@H](OP1(=O)OC2=CC=CC=C2)COCC3=CC=CC=C3 1 3.026 0 4 -1.50149136221722 16060352 C[C@@H]1[C@@H]2[C@@H](O2)CP(=O)(O1)OC3=CC=CC=C3 1 1.199 0 4 0 -3.79591454351502 16060343 C1[C@@H]2C=C[C@]3([C@H]1S(=O)(=O)N(C3)CC4=CC(=CC=C4)F)O2 1 0.956 1 3 0 4.18329300884803 16060332 COC(=O)C[C@H]1C2=C(C=CC(=C2)F)S(=O)(=O)N1CC3=CC=CC=C3 1 2.473 1 4 -6.78356600677256 16060331 COC(=O)[C@H](CCSC)NS(=O)(=O)C1=CC=CC=C1Br 1 2.008 1 4 -20.4275826074166 16060325 C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=C(C=C2)F)Br 1 3.278 1 2 -1.66447578253943 16060317 COC(=O)/C=C/C1=CC=CC=C1S(=O)(=O)N(CC2=CC=CC=C2)CC3=CC=CO3 1 3.619 1 5 -10.0370255945188 16060312 CC(=O)C1=CC=C(C=C1)[C@@H]2C[C@]34CN(S(=O)(=O)[C@H]3C[C@H]2O4)CC5=CC(=CC=C5)C(F)(F)F 1 2.959 1 4 0.956607507433531 16060308 C1=CC=C(C=C1)C[C@H]2[C@H](OC(=O)N2)C3=CC=CO3 1 2.669 1 3 -4.59584863388873 16060307 CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](C2=CC=CO2)O 1 3.243 1 4 -9.01311688619404 16060253 CC(C)[C@@H](C(=O)NCC1=CC=CO1)N2CCC(=C)C3=CC=CC=C3S2(=O)=O 1 2.685 2 4 -10.3363942376588 16060251 CC(C)[C@@H](C(=O)NCC1=CC=CC=C1)N2CCC(=C)C3=CC=CC=C3S2(=O)=O 1 3.504 2 3 -9.06874123838351 16060248 CC1=CC=C(C=C1)COC(=O)[C@H](C(C)C)N2CCC(=C)C3=CC=CC=C3S2(=O)=O 1 4.637 1 4 -4.24224028462095 16060247 CC1=CC(=CC=C1)COC(=O)[C@H](C(C)C)N2CCC(=C)C3=CC=CC=C3S2(=O)=O 1 4.637 1 4 -3.41656869317793 16060246 CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)Cl)N2CCC(=C)C3=CC=CC=C3S2(=O)=O 1 4.168 2 3 -6.26351464600469 16060245 CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)OC)N2CCC(=C)C3=CC=CC=C3S2(=O)=O 1 3.48 2 4 -8.13193817997961 16060244 CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)OC)N2CCC(=C)C3=CC=CC=C3S2(=O)=O 1 3.487 2 4 -8.49847954573565 16060243 CC(C)[C@@H](C(=O)NCC1=CC(=C(C(=C1)OC)OC)OC)N2CCC(=C)C3=CC=CC=C3S2(=O)=O 1 3.454 2 6 0 -12.7618873261438 16060242 CC(C)[C@@H](C(=O)NCC1=CC(=C(C=C1)Cl)Cl)N2CCC(=C)C3=CC=CC=C3S2(=O)=O 1 4.832 2 3 -6.40066499409526 16060238 COC1=CC=C(C=C1)COCCN2CCN(CCC2=O)S(=O)(=O)C3=CC=CC=C3 1 1.715 2 5 0 -25.8351825691288 16060236 C1CN(CCN(C1=O)CCOCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 2.396 2 4 -23.6712606180329 16060235 CC1=CC(=CC=C1)COCCN2CCN(CCC2=O)S(=O)(=O)C3=CC=CC=C3 1 2.218 2 4 -24.6675877171767 16060233 C1CN(CCN(C1=O)CCOCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.732 2 4 0 -26.6011056754476 16060232 CC1=CC=C(C=C1)COCCN2CCN(CCC2=O)S(=O)(=O)C3=CC=CC=C3 1 2.218 2 4 -25.4932593086197 16060231 CC1=CC=CC=C1COCCN2CCN(CCC2=O)S(=O)(=O)C3=CC=CC=C3 1 2.218 2 4 -26.2055247001086 16060230 C1CN(CCN(C1=O)CCOCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 1.937 2 4 0 -24.7813822831545 16060229 C1CN(CCN(C1=O)CCOCC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC=C3 1 1.937 2 4 0 -24.0549869044006 16060228 C1CN(CCN(C1=O)CCOCC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3 1 2.674 2 4 -21.8974924212874 16060222 C[C@@H](C(=O)OC)N(CCC=C)S(=O)(=O)C1=CC=CC=C1Br 1 2.824 1 4 -11.7699175689986 16060214 CC(C)(C)OC(=O)N1CC2=C[C@@H]([C@@H](C[C@@H]2S1(=O)=O)OC(=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)OC 1 4.951 1 7 0 -3.13104069232056 16060213 CC(C)(C)OC(=O)N1CC2=C[C@@H]([C@@H](C[C@@H]2S1(=O)=O)OC(=O)C3=CC=CS3)C4=CC=C(C=C4)OC 1 3.962 1 7 0 -7.96220407096646 16060207 C1CN(S(=O)(=O)C2=CC=CC=C2C1=O)CC3=CC=CC=C3 1 2.204 1 3 -1.37182644850704 16060203 CC1=CC(=CC=C1)COC(=O)[C@H](C)N2CCC(=C)C3=CC=CC=C3S2(=O)=O 1 3.794 1 4 -4.07361205770206 16060202 CC1=CC=C(C=C1)COC(=O)[C@H](C)N2CCC(=C)C3=CC=CC=C3S2(=O)=O 1 3.794 1 4 -4.89928364914508 16060200 CCCCCCNC(=O)[C@H](C)N1CCC(=C)C2=CC=CC=C2S1(=O)=O 1 3.318 2 3 -12.4180605737279 16060199 C[C@@H](C(=O)NCC1=CC(=C(C(=C1)OC)OC)OC)N2CCC(=C)C3=CC=CC=C3S2(=O)=O 1 2.611 2 6 0 -13.7905615777367 16060198 C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)N2CCC(=C)C3=CC=CC=C3S2(=O)=O 1 2.644 2 4 -9.52715379732853 16060197 C[C@@H](C(=O)NCC1=CC=C(C=C1)Cl)N2CCC(=C)C3=CC=CC=C3S2(=O)=O 1 3.325 2 3 -7.29218889759757 16060195 C=CCCCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2Br 1 4.673 1 2 -9.67298084874552 16060190 C=C1CCN(S(=O)(=O)C2=CC=CC=C12)CC3=CC=CC=C3 1 3.117 1 2 0.448952403729926 16060187 COC(=O)CN1CCC(=C)C2=CC=CC=C2S1(=O)=O 1 1.24 1 4 0 -4.80516721020529 16060184 C=CCCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2Br 1 4.216 1 2 -8.97509974738137 16060183 C=CCCN(C1CCCC1)S(=O)(=O)C2=CC=CC=C2Br 1 4.035 1 2 -8.17464008372521 16060181 CCCCCCNS(=O)(=O)C1=CC=CC=C1Br 1 3.73 1 2 -9.09510214256665 16060049 COC1=CC=CC=C1[C@H]2[C@@H](N(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)N5CCOC5=O 1 4.9 3 4 0 -9.18227245996331 16060046 C1COC(=O)N1C(=O)[C@H]2[C@@H](C(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F 1 5.122 3 3 -8.59482323063448 16060043 COC1=CC=CC=C1[C@H]2[C@@H](N(N=C2C3=CC(=CC=C3)Cl)C4=CC=CC=C4)C(=O)N5CCOC5=O 1 5.359 3 4 0 -6.11367654975323 16060042 C1COC(=O)N1C(=O)[C@H]2[C@@H](C(=NN2C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)[N+](=O)[O-] 1 5.269 4 5 0 -6.79430616556408 16060041 C1COC(=O)N1C(=O)[C@H]2[C@@H](C(=NN2C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)Cl 1 6.039 3 3 -4.28198301156161 16060037 CC1=CC=CC(=C1)C2=NN([C@H]([C@@H]2C3=CC=CC=C3OC)C(=O)N4CCOC4=O)C5=CC=CC=C5 1 5.18 3 4 0 -6.49242179670673 16060022 C1COC(=O)N1C(=O)[C@H]2[C@@H](C(=NN2C3=CC=C(C=C3)Br)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F 1 5.87 3 3 -7.96818109000687 16060019 COC1=CC=CC=C1[C@H]2[C@@H](N(N=C2C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Br)C(=O)N5CCOC5=O 1 6.107 3 4 0 -5.31862141211321 16060010 CC1=CC=CC(=C1)C2=NN([C@H]([C@@H]2C3=CC=C(C=C3)F)C(=O)N4CCOC4=O)C5=CC=C(C=C5)Br 1 6.151 3 3 -3.64274023254271 16051987 C1=C(NN=C1)CCN.Cl Cl- 1 -0.294 3 0 0 -1.56698341224281 16044214 C1=CC(=C(N=C1)[N+](=O)[O-])OCC2=CC(=C(C=C2)Cl)Cl 1 4.008 2 3 0.173991355743759 16043996 CC1=CC=CC=C1NC(=O)CCCC(=O)C2=CC=CC=C2 1 3.512 1 2 -11.4470316382161 16043827 CCOC(=O)C1=CC2=C(C=CC(=C2N1CC(=O)C3=CC=CC=C3)OC)OC 1 4.048 1 5 -6.08456166143963 16043826 CCOC(=O)C1=CC2=CC=CC=C2N1CC(=O)C3=CC=CC=C3 1 4.08 1 3 -6.16620525948973 16043769 COC1=CC=CC(=C1)C2=C3C(=NC=C2)NN(C3=O)C4=CC=CC=C4 1 2.842 3 2 2.4217733672864 16034816 CC(C)CCNC(=O)CN1C(=O)CCC(=N1)C2=CC=C(C=C2)Cl 1 2.56 3 2 -15.8071210407671 16034815 CCCCN(C)CCNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.716 4 5 0 -29.5856768501407 16034779 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC 1 1.424 3 5 0 -19.4139530122318 16034777 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC=C(C=C4)OC 1 2.179 3 5 0 -18.7674542455585 16034774 CC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4 1 3.539 5 2 0 -15.4103700014254 16034746 CCOC(=O)C1=C(NC(=C1S(=O)(=O)N(C)CC(=O)NC2=CC=C(C=C2)C(=O)C)C)C 1 0.912 3 6 0 -14.8114794502584 16034741 COC1=CC=CC(=C1)CNC(=O)CN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 2.534 3 4 0 -28.3935456225012 16034697 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F 1 0.885 4 5 0 -18.0991205823373 16034695 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F 1 1.333 4 4 0 -22.5772008745583 16034671 CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)S(=O)(=O)C4=CC=CC=C4)C)F 1 3.047 3 3 -6.41215075599679 16034668 CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCOCC3)F)S(=O)(=O)C4=CC=CC=C4 1 2.429 2 4 -9.37398637127235 16034662 CN1C2=C(C=C(C=C2)S(=O)(=O)CCC(=O)NC3=CC(=C(C=C3)OC)OC)OC1=O 1 1.923 2 7 0 -18.1643734713971 16034637 COC1=CC=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4 1 1.936 3 6 0 -20.4457450358072 16034619 COC1=C(C=C(C=C1)NC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4)OC 1 1.565 3 6 0 -28.2002916618556 16034618 COC1=CC=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.25 3 7 0 -22.4039277572569 16034617 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NCC4=CC=C(C=C4)F 1 1.708 3 5 0 -23.8000847353046 16034615 COC1=C(C=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4)OC 1 1.463 3 7 0 -25.5027354799176 16034598 COC1=CC=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N 1 0.97 6 3 0 -24.0707780541743 16034595 COC1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C(C2=O)C=CC(=C3)C(=O)NC4=CC=CC=C4)O 1 3.227 2 6 0 -13.0436052591237 16034592 CC1=C(C=C(C=C1)C2=CN=C(O2)C3CC3)S(=O)(=O)NC4=CC=C(C=C4)C(=O)C 1 3.269 2 4 -3.59638610846019 16034591 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CN=C(O3)C4CC4 1 2.783 2 4 -1.8529299550469 16034585 COC1=CC=CC=C1NC(=O)C2CCN(CC2)C3=NC=NC4=C3N=C5N4CCCCC5 1 2.722 6 2 0 -1.88819775115481 16034575 CCC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 2.583 2 4 -22.1682390206159 16034561 CN1C(=O)CC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl 1 2.436 3 3 -11.3180740698807 16034541 CN(CC1=CC=C(C=C1)F)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3Br 1 3.284 4 3 0 -8.35281236319589 16034540 CC1=CC(=C(C=C1)C)CN2CCCN(S2(=O)=O)CC3=C(C=CC(=C3)C)C 1 3.954 2 2 1.41086527362819 16034483 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCCC3=CC=CC=C3 1 2.718 3 4 0 -20.5231568360589 16034480 COCCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)OC 1 1.608 2 5 0 -20.5630616840703 16034478 CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4)Br 1 3.34 3 4 0 -18.4096903188117 16034477 CC1=C(C=CC(=C1)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4 1 2.797 3 4 0 -18.9430735985402 16034476 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)CC(=O)N3C)C 1 0.29 3 6 0 -20.3894775640711 16034472 CCC1CN(C2=C(O1)C=CC(=C2)Cl)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC(=O)N4 1 2.147 3 5 0 -14.4925222864798 16034471 C1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)F)Cl)NC1=O 1 1.443 3 4 0 -10.1407090866475 16034470 CC1=CC2=C(C=C1)OCCN2S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC(=O)N4 1 1.067 3 5 0 -19.1112117423449 16034468 C1COC2=C(N1S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC(=O)N4)C=C(C=C2)Cl 1 1.246 3 5 0 -16.6100189333174 16034466 C1COC2=CC=CC=C2N1S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC(=O)N4 1 0.581 3 5 0 -18.7109869765459 16034465 CC1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)/C=C/C4=CC(=CC=C4)C 1 3.502 3 4 0 -12.4497187343129 16034464 CC1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)/C=C/C4=CC=C(C=C4)OC 1 3 3 5 0 -14.2078186089981 16034461 CC1CCC(CC1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2C)NC(=O)CO3 1 2.05 2 5 0 -17.3230164814509 16034459 CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)C2=C(ON=C2C)/C=C/C3=CC=CC=C3OCC 1 2.877 3 5 0 -14.3812834396723 16034457 CC1=CC=CC(=C1)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)N4CCCCC4 1 3.25 3 4 0 -9.69072332197872 16034376 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O 1 2.33 2 5 0 -25.1211521640304 16034332 CCCCN(C)CCNC(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)C4=CN=CC=C4 1 3.774 5 3 0 -25.6975449156189 16034321 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl 1 3.868 3 5 0 -3.88655349811645 16034298 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C 1 4.914 2 4 -3.77712774040958 16034296 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NCCCOCC)C3=CN=CC=C3 1 2.54 4 4 0 -22.2693934255576 16034287 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC3=CC=CC=C3 1 2.396 3 4 0 -20.2659035603602 16034281 C1CC(CCC1CNS(=O)(=O)C2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3 1 3.597 2 3 -17.8814471499826 16034280 CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CC=C3 1 3.697 1 4 -8.19171715750194 16034270 CCN(CC)CCCNC(=O)CN1C(=O)CCC(=N1)C2=CC=C(C=C2)OC 1 1.197 4 3 0 -15.8999346572359 16034265 CC1=CC=C(C=C1)C2=NN(C(=O)CC2)CC(=O)NCCN(CC(C)C)CC(C)C 1 3.323 4 2 -14.3255386596076 16034257 CC1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)OC 1 1.377 3 4 0 -16.7253518901159 16034255 CC(C)CN(CCCNC(=O)CN1C(=O)CCC(=N1)C2=CC=C(C=C2)Cl)CC(C)C 1 3.564 4 2 -14.061577744377 16034250 CCOC1=CC=CC=C1CNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.164 3 6 0 -32.5866498181185 16034243 CCOC1=C(C=C(C=C1)CNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4)OC 1 1.148 3 7 0 -35.8804968196925 16034238 CCCCN(CC)CCCNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.127 4 5 0 -31.7108692442972 16034237 CC(C)CN(CCCNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)CC(C)C 1 1.833 4 5 0 -31.8327953008129 16034236 CCCCN(CCCC)CCNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.044 4 5 0 -30.8340837925814 16034234 CCCCN(C)CCNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.945 4 4 0 -27.627494128691 16034233 CC(C)OCCCNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.135 3 5 0 -32.6719179731159 16034232 COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NCCC3=CC=CC=C3)OC 1 2.509 2 4 -19.9468429565917 16034231 CCOC1=C(C=C(C=C1)CCNC(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC)OCC 1 3.174 2 6 0 -24.3462289713242 16034227 CCCCN(CCCC)CCNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.274 4 4 0 -28.8759010711317 16034225 CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC(=CC=C3)OC 1 0.552 4 6 0 -19.6810656865547 16034223 CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=C(C=C(C=C3)OC)OC 1 0.536 4 7 0 -20.4309938923251 16034222 CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3OC 1 0.552 4 6 0 -21.7865623760152 16034220 COC1=C(C=C(C=C1)CCNC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3)OC 1 2.509 2 4 -19.9468429565917 16034219 CC1=CC=C(C=C1)CCNC(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC 1 2.995 2 4 -19.4135554764224 16034100 CCOC(=O)C1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br 1 4.514 3 2 6.32358682302155 16034069 CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4(CC3)OCCO4)F 1 2.488 2 5 0 -18.0252805644895 16033863 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N4C(=N3)SC(=N4)NC5=C(C=CC(=C5)C)C 1 4.711 5 4 0 -13.892751922065 16033851 CCC(C(=O)NCCOC)SC1=NC2=CC(=C(C=C2C(=O)N1CC3=CC=C(C=C3)OC)OC)OC 1 3.707 3 6 0 -23.7071704701655 16033822 CCN(CC)C(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CCCCCC(=O)NCC4=CC=C(C=C4)OC)OCO3 1 4.076 4 6 0 -31.8549405733096 16033821 COCCNC(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CCCC(=O)NCCC4=CC(=C(C=C4)OC)OC)OCO3 1 2.434 4 8 0 -32.5420525458776 16033819 CCCCNC(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CCCC(=O)NCCC4=CC(=C(C=C4)OC)OC)OCO3 1 3.894 4 7 0 -31.8399330978796 16033816 COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC4=C(C=C3N=C2SCC(=O)N)OCO4)OC 1 2.359 4 7 0 -29.2435406750253 16033812 COCCNC(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CCCC(=O)NCC4=CC5=C(C=C4)OCO5)OCO3 1 1.914 4 8 0 -32.7629304664089 16033806 COCCCNC(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CCCC(=O)NCC4=CC=C(C=C4)OC)OCO3 1 2.192 4 7 0 -31.7973632310447 16033805 COCCNC(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CCCC(=O)NCC4=CC=C(C=C4)OC)OCO3 1 2.129 4 7 0 -31.3192170487288 16033803 CCN(CC)C(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CCCC(=O)NCC4=CC=C(C=C4)OC)OCO3 1 3.164 4 6 0 -31.7247902375105 16033766 CC(CC1=NS(=O)(=O)C2=CC=CC=C2N1)CC(=O)NCC3=CC=C(C=C3)OC 1 2.231 3 4 0 -14.9484743953726 16033746 CC1=CC2=C(C=C1)S(=O)(=O)N=CN2CC(=O)NC3=CC=CC(=C3)C(=O)C 1 0.875 3 4 0 -9.36234867363011 16033739 CCN1C2=CC=CC=C2S(=O)(=O)N(C1=O)C3=CC=C(C=C3)C(=O)C 1 2.344 2 4 -7.16588063178296 16033721 CC(C)(CC1=NS(=O)(=O)C2=CC=CC=C2N1)CC(=O)OCC(=O)NC3=CC=CC=C3F 1 2.359 3 5 0 -15.8095556071107 16033720 CCOC1=CC=CC=C1NC(=O)COC(=O)CC(C)(C)CC2=NS(=O)(=O)C3=CC=CC=C3N2 1 2.486 3 6 0 -18.8086270078973 16033719 CC(C)(CC1=NS(=O)(=O)C2=CC=CC=C2N1)CC(=O)OCC(=O)NC3=CC=CC=C3OC 1 2.137 3 6 0 -18.0153762590173 16033717 CC(C)(C)C(=O)CN1C2=CC=CC=C2S(=O)(=O)N(C1=O)C3=CC=CC=C3OC 1 3.368 2 5 0 -8.0626743482837 16033716 CCC1=CC=C(C=C1)NC(=O)COC(=O)CCCC2=NS(=O)(=O)C3=CC=CC=C3N2 1 2.638 3 5 0 -17.7481950724189 16033714 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CCC5=CC(=C(C=C5)OC)OC 1 3.669 4 6 0 -9.71094465411744 16033713 C1=CC=C2C(=C1)NC(=NS2(=O)=O)CCCC(=O)OCC(=O)NC3=CC=C(C=C3)Br 1 2.444 3 5 0 -17.1434179911545 16033712 CC1=CC(=CC=C1)NC(=O)COC(=O)CCCC2=NS(=O)(=O)C3=CC=CC=C3N2 1 2.182 3 5 0 -15.7185056098355 16033601 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC(=N3)C)C)C)C 1 1.804 4 5 0 -10.2565081624793 16033600 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC=C(C=C3)C)C)C)C 1 2.008 4 5 0 -12.923698401433 16033599 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=CC=N3)C)C)C)C 1 2.008 4 5 0 -11.1191704444496 16033597 CCC1=NC2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3OC)N=C1CC 1 4.289 3 2 -14.0804285858122 16033571 CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F)N=C1CC 1 4.442 4 1 -2.76513189653397 16033567 CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C)N=C1CC 1 5.209 4 1 -4.15907665066319 16033565 CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)N=C1CC 1 5.209 4 1 -6.53291528231577e-002 16033563 CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)N=C1CC 1 4.901 4 1 0.924414002265472 16033545 CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)N=C1CC 1 4.236 4 1 -3.59964643819027 16033543 CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)OC)N=C1CC 1 4.22 4 2 -2.74839762943719 16033541 CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl)N=C1CC 1 4.901 4 1 -1.51634455246122 16033533 CCC1=NC2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)OCC)N=C1CC 1 4.638 3 2 -10.2655164242216 16033510 CCC1=NC2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)N=C1CC 1 4.273 3 3 -13.8555452083114 16033424 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NCC2=CC=CC=C2)C)C)C 1 1.179 3 5 0 -17.8550534262958 16033428 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NCC2=CC=CC(=C2)C)C)C)C 1 1.665 3 5 0 -16.2732334490114 16033444 CC(C)CCNC(=O)CSC1=NC(=C(N=N1)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC 1 5.115 4 5 0 -19.7052273552619 16033412 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NC2=C(C=CC(=C2)C)OC)C)C)C 1 1.642 3 6 0 -15.7946346454395 16033404 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NC2=C(C=CC(=C2)C)C)C)C)C 1 2.144 3 5 0 -15.2480825975826 16033388 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3)C)C)C 1 1.43 4 5 0 -9.86750050518203 16033386 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NCC2=CC=C(C=C2)C)C)C)C 1 1.665 3 5 0 -17.2285351158501 16033384 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C)C)C 1 1.414 4 6 0 -11.7291184850229 16033382 CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NCC2=CC=CC=C2Cl)C)C)C 1 1.843 3 5 0 -18.4038779519997 16033114 CC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC 1 1.888 4 5 0 -12.7706363182934 16033112 CC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)NC(=O)C 1 1.153 5 4 0 -12.8753772896746 16033094 CC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)CC(=O)NC3=C(C=C(C=C3C)C)C 1 3.491 4 3 0 -11.6457778643352 16033090 CC1=CC=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C(=O)NC3=CC=C(C=C3)C 1 2.519 4 3 0 -10.5117784951389 16033086 CC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=CC=C3 1 2.032 4 3 0 -10.0044937913064 16032916 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC(C2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 2.783 1 7 0 -10.8460749482448 16032283 CC1C2=C3C(=CC(=C2)S(=O)(=O)N4CCC(CC4)C(=O)N)CCCN3C1=O 1 0.61 3 4 0 -19.7167797945146 16032273 CC1CCN(CC1)S(=O)(=O)C2=CC3=C4C(=C2)CCCN4C(=O)C3C 1 2.304 2 3 -20.9748439483912 16032268 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C4C(=C2)CCCN4C(=O)C3C 1 1.812 2 5 0 -23.0003025656218 16032070 COC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CO2)N3CCOCC3 1 1.451 2 5 0 -12.929210003459 16032043 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)C3(CCS(=O)(=O)C3)C 1 1.242 2 5 0 -24.9530667185886 16032039 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 1.977 2 5 0 -29.4149531251465 16032037 CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.114 2 5 0 -29.4629568701852 16031932 C1CCC(C1)NC(=O)CSC2=NC=CN2CC3=CC=C(C=C3)F 1 3.257 3 1 -13.532166592235 16031870 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC5=C(C=C4)N(CCC5)C(=O)C 1 3.427 4 4 0 -20.9080361433054 16031868 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl 1 3.119 4 4 0 -15.6317960937553 16031867 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)N4CCN(CC4)C5=CC=CC=C5 1 2.454 4 4 0 -20.1558565342111 16031865 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC 1 2.438 4 5 0 -22.2812668593085 16031863 CC1=CC(=C(C=C1)OC)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C 1 1.91 3 5 0 -21.5370613874963 16031854 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4F)NC5=CC=CC=C53 1 4.378 5 3 0 -23.7100368553803 16031823 CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C5CCC5 1 4.511 3 3 -24.8389204452416 16031817 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C5CCC5)C 1 4.62 3 3 -15.6005590514553 16031815 C1CC(C1)C(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5 1 3.647 3 3 -18.942126940201 16031810 CCN(CC)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3OC 1 2.393 5 3 0 -12.8857354033572 16031782 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=CC=C4 1 2.202 3 4 0 -26.4215133612221 16031780 CC1=CC(=C(C=C1)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C 1 2.665 3 5 0 -20.2526377773877 16031750 CC1=CC(=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C)C 1 3.168 3 4 0 -20.6187421941798 16031746 CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C 1 2.689 3 4 0 -25.6066984564425 16031744 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)OC 1 2.186 3 5 0 -26.0196646655867 16031742 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC(=CC=C4)F 1 2.401 3 4 0 -16.7033202750055 16031740 CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C 1 3.138 3 4 0 -18.5939261721934 16031719 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)Cl 1 2.867 3 4 0 -23.7846997658557 16031717 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=CC=C4Cl 1 2.867 3 4 0 -26.970337886926 16031710 CCC(C)(C)NC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CS2 1 2.761 2 3 -18.4405636597163 16030745 CN1C2=C(C(=NC(=N2)C3=CC=CC=C3Cl)SCC(=O)NCC4=CC=CO4)C(=O)N(C1=O)C 1 2.927 5 4 0 -20.1478351278976 16030737 CC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC(=O)NC4=NOC(=C4)C)C(=O)N(C(=O)N3C)C 1 2.699 6 4 0 -21.4884080517261 16030616 COC1=CC=C(C=C1)CN2C=CN=C2SCC(=O)NC3CCCC3 1 3.035 3 2 -14.6570098268444 16030223 CC1=C(C=C(C=C1)N2C(=NN=N2)CNC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)OC)C 1 1.929 6 3 0 -18.9041324806892 16030221 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=NN=NN3C4=CC(=C(C=C4)C)C 1 2.431 6 2 0 -18.6794628658789 16030219 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=NN=NN3C4=CC(=C(C=C4)C)C 1 2.278 6 3 0 -19.6703556323972 16030217 CC1=C(C=C(C=C1)N2C(=NN=N2)CNC(=O)C3CC(=O)N(C3)C4=CC=CC=C4)C 1 1.945 6 2 0 -18.7524694666873 16029883 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCCS(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)C 1 2.1 4 4 0 -23.1673908354828 16029881 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCS(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 1.111 4 5 0 -23.7020441091677 16029879 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCS(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 1.614 4 4 0 -23.2890779000235 16029877 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 1.128 4 4 0 -24.1153968422411 16029851 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 1.628 3 6 0 -21.0319157656581 16029849 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CCNC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 1.111 4 5 0 -25.476849571426 16029822 COCCCNC(=O)C1=CC2=C(C=C1)N=C(O2)CC3=CC=C(C=C3)OC 1 2.438 2 4 -13.0761405597548 16029813 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 1.628 3 6 0 -19.0825048541717 16029812 CCC(C)NC(=O)C1=CC2=C(C=C1)N=C(O2)CC3=CC=C(C=C3)OC 1 3.757 2 3 -14.797650748542 16029811 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 1.111 4 5 0 -23.7020441091677 16029779 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)COC3=CC=CC(=C3)OC 1 1.659 3 6 0 -20.0027063811685 16029751 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCS(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 1.819 4 4 0 -22.315897679416 16029749 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)CCNC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 1.333 4 4 0 -22.5772008745583 16029727 COC1=C(C=C(C=C1)CC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)OC 1 2.064 3 5 0 -22.4850049531496 16029723 CCOC1=CC=C(C=C1)OCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.229 3 5 0 -18.9662766840624 16029715 C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)CCNC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 1.85 3 5 0 -18.2647402955259 16029713 C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)CCNC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F 1 1.539 4 4 0 -22.0915589400619 16029703 CC1=C(C(=NN1S(=O)(=O)C2=CC=C(C=C2)F)C)S(=O)(=O)N3CCCCC3 1 2.299 3 4 0 -12.4323064606789 16029699 CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCC3)C 1 2.579 3 4 0 -13.3324800804779 16029695 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCS(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F 1 1.819 4 4 0 -22.2799579091391 16029693 C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)CCNC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 1.333 4 4 0 -22.7096741012938 16029679 CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)S(=O)(=O)C3=CC=CC=C3)C 1 2.345 3 4 0 -16.7616813787454 16029662 C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)CCNC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 2.309 3 5 0 -14.3643377220171 16029607 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 1.526 3 6 0 -16.4130344255609 16029503 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3CC(=O)NC4=CC=CC=C4 1 1.846 3 4 0 -21.2848689215736 16029499 CN(C1=CC=CC=C1)C(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4 1 2.052 3 4 0 -21.6322900914186 16029495 CC1=C(C(=CC=C1)C)NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4 1 2.819 3 4 0 -23.3477418644809 16029473 CC1=CC=C(C=C1)NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4 1 2.332 3 4 0 -21.1282147832002 16029471 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3CC(=O)NC4=CC=CC=C4Cl 1 2.511 3 4 0 -21.1275505117741 16029469 CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4 1 2.179 3 5 0 -22.3074041440524 16029465 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4)C 1 2.819 3 4 0 -21.515967502062 16029347 CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)/C=C/C4=CC=CC=C4F 1 2.864 3 6 0 -16.5529594430591 16029337 CCN(CCN(C)C)C(=O)C1CCN(CC1)S(=O)(=O)C2=C(ON=C2C)/C=C/C3=CC=CC=C3F 1 2.54 4 4 0 -15.1310414794316 16029319 CCN(CC)CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(ON=C2C)/C=C/C3=CC=CC=C3F 1 2.683 4 4 0 -14.7869524496879 16029083 COC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)OC 1 4.068 4 4 0 1.39731999324757 16029080 C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)F 1 4.306 4 2 3.26473068505916 16029078 C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC(=C4)F 1 4.306 4 2 2.53503351584215 16029076 C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4F 1 4.306 4 2 0.56152528937411 16029074 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)OC 1 4.068 4 4 0 -3.07156023118811 16029072 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4 1 4.068 4 4 0 0.741505834253187 16028980 COC1=CC=CC=C1NC(=O)CSC2=NC=C(N2CC3=CC=C(C=C3)F)CO 1 2.889 3 3 -17.7454928585982 16028174 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=C2C=CC(=C3)NC(=O)C4=C(C=CC=C4F)F 1 4.736 2 3 -21.315208255263 16028172 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=C2C=CC(=C3)NC(=O)C4=C(C=CC=C4OC)OC 1 4.292 2 5 0 -21.95421346028 16028115 COC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC=CS4)OC 1 4.056 2 4 -16.6721549360214 16028091 COC1=CC=CC(=C1OC)C(=O)NC2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC=CS4 1 4.056 2 4 -19.108026890968 16028070 COC1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC=CS4)OC 1 4.056 2 4 -19.4161927722201 16028059 CC1=C(C=C(C=C1)C2=CN=C(O2)C3CC3)S(=O)(=O)NC4=CC=CC(=C4)C(=O)C 1 3.269 2 4 -2.61271905497413 16028033 CC1=CC(=CC=C1)CNS(=O)(=O)C2=CC=C(C=C2)C3=CN=C(O3)C4CC4 1 3.536 2 3 3.02006876402943 16028031 CCOC1=CC=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)C3=CN=C(O3)C4CC4 1 3.382 2 4 -1.65886667759047 16028011 C1CC1C2=NC=C(O2)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4 1 3.05 2 3 1.24995219241115 16028009 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(O3)C4CC4 1 3.735 2 3 -1.14481221331466 16028005 CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)C3=CN=C(O3)C4CC4 1 3.513 2 4 0.502629889320931 16028001 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CN=C(O4)C5CC5 1 3.285 3 4 0 -7.51653047261739 16027999 CCOC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C3=CN=C(O3)C4CC4 1 3.375 2 4 -2.0543482497141 16027977 C1CC1C2=NC=C(O2)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=C(C=C4)F 1 3.255 2 3 2.776644122656 16027975 COC1=CC=CC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)C3=CN=C(O3)C4CC4 1 3.033 2 4 1.64303974644111 16027973 COC1=CC=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)C3=CN=C(O3)C4CC4 1 3.033 2 4 -1.1216100780077 16027969 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CN=C(O4)C5CC5 1 3.042 3 4 0 -11.7254730358762 16027939 C1CC1C2=NC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5 1 3.302 3 3 -7.36486745861549 16027937 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)C3=CN=C(O3)C4CC4 1 3.536 2 3 2.06476709719075 16027935 COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CN=C(O4)C5CC5 1 3.285 3 4 0 -6.37378074564077 16027917 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CN=C(O4)C5CC5 1 3.285 3 4 0 -9.29752838709144 16027915 COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)C3=CN=C(O3)C4CC4 1 3.033 2 4 1.65180088804661 16027762 C1=CC2=C(N=C1)N(C=N2)CC3=CC=C(C=C3)C(=O)O 1 1.813 3 2 0 -6.7672852372323 16027761 CCOC1=CC=CC=C1NC(=O)CCN2C(=C(C(=N2)C)S(=O)(=O)N3CCCCC3)C 1 2.159 4 4 0 -23.4221118706359 16027759 CC1=C(C(=NN1CCC(=O)NC2=CC=CC(=C2)C#N)C)S(=O)(=O)N3CCCCC3 1 1.705 5 3 0 -20.9976096046568 16027735 CCOC1=CC=C(C=C1)NC(=O)CCN2C(=C(C(=N2)C)S(=O)(=O)N3CCCCC3)C 1 2.159 4 4 0 -20.2763357350528 16027733 CCC1=CC=C(C=C1)NC(=O)CCN2C(=C(C(=N2)C)S(=O)(=O)N3CCCCC3)C 1 2.769 4 3 0 -19.3365845099797 16027731 CCOC(=O)C1=CC(=CC=C1)NC(=O)CCN2C(=C(C(=N2)C)S(=O)(=O)N3CCCCC3)C 1 2.031 4 5 0 -24.3356249052425 16027168 C1CCN(C1)S(=O)(=O)C2=CN(C=N2)CC(=O)NC3=CC(=CC=C3)Br 1 1.425 4 3 0 -10.5414009520895 16027166 C1CCN(C1)S(=O)(=O)C2=CN(C=N2)CC(=O)NC3=CC=CC=C3 1 0.676 4 3 0 -12.1567716289482 16027149 C1CCN(C1)S(=O)(=O)C2=CN(C=N2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 2.796 4 4 0 -9.30871484302864 16027147 CSC1=CC=CC(=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCC3 1 1.218 4 3 0 -9.89763764134012 16027145 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCC3 1 0.88 4 5 0 -16.4225243991319 16027143 CC1=C(C=CC=C1Cl)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCC3 1 1.827 4 3 0 -10.7441784754413 16027141 COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCC3 1 0.627 4 6 0 -17.0965776078484 16027139 C1CCN(C1)S(=O)(=O)C2=CN(C=N2)CC(=O)NC3=CC(=CC=C3)F 1 0.882 4 3 0 -10.2091118249444 16027137 CC1=C(C(=CC=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCC3)C 1 1.649 4 3 0 -10.9938582186688 16027114 CC1=C(C=C2C(=N1)C=CN(C2=O)CC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)OC 1 3.103 4 3 0 -2.89656561323004 16027112 CC1=C(C=C2C(=N1)C=CN(C2=O)CC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 3.325 4 2 -1.77172237862065 16027106 CC1=C(C=C2C(=N1)C=CN(C2=O)CC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC(=CC=C5)OC 1 3.103 4 3 0 -1.99104801699984 16027078 CC1=C(C(=NN1C2=NN=C(C=C2)N3CCOCC3)C)CCC(=O)NCC4=CC=CC=C4F 1 2.662 6 2 0 -16.7713261968363 16027058 CC1=CC(=C(C=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCOCC4)C)C 1 3.422 6 2 0 -13.1024098225165 16027054 CC1=C(C(=NN1C2=NN=C(C=C2)N3CCOCC3)C)CCC(=O)NCC4=CC=CC=C4 1 2.457 6 2 0 -16.1491633522334 16027052 CC1=C(C(=NN1C2=NN=C(C=C2)N3CCOCC3)C)CCC(=O)NC4=CC=C(C=C4)C(=O)C 1 2.19 6 3 0 -13.8664546620003 16027044 CC1=C(C=C(C=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCOCC4)C)F 1 3.142 6 2 0 -8.59666139954719 16027026 CC1=C(C(=NN1C2=NN=C(C=C2)N3CCOCC3)C)CCC(=O)NCC4=CC=C(C=C4)F 1 2.662 6 2 0 -14.6224714219885 16027022 CC1=C(C(=NN1C2=NN=C(C=C2)N3CCOCC3)C)CCC(=O)NC4=CC(=C(C(=C4)OC)OC)OC 1 2.401 6 5 0 -15.1727983314591 16027020 CC1=CC=C(C=C1)CNC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCOCC4)C 1 2.943 6 2 0 -15.5226450417876 16027014 CCC1=CC=CC=C1NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCOCC4)C 1 3.392 6 2 0 -12.2720738047275 16026955 CC1=CC=CC=C1NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCCCC4)C 1 4.166 6 1 0 -11.3156753788169 16026951 CC1=CC(=C(C=C1)OC)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCCCC4)C 1 4.149 6 2 0 -11.1472192830117 16026949 CCOC1=CC=CC=C1NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCCCC4)C 1 4.012 6 2 0 -12.8876515049261 16026931 CC1=C(C=C(C=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCCCC4)C)F 1 4.371 6 1 0 -7.00757527683442 16026923 CC1=C(C=C(C=C1)F)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCCCC4)C 1 4.371 6 1 0 -9.68149949766361 16026922 CC1=C(C(=NN1C2=NN=C(C=C2)N3CCCCC3)C)CCC(=O)NC4=CC(=CC=C4)F 1 3.885 6 1 0 -6.7716803428604 16026507 CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC=C(C=C2)N(C)C)C(=O)N3CCCCC3 1 2.408 4 3 0 -10.2923027570974 16026478 CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C3C(=C2)N(C(=O)C(=O)N3C)C)N4CCOCC4 1 1.742 4 5 0 -4.28790776557138 16026461 CN1C2=CC(=C(C=C2N(C(=O)C1=O)C)N3CCOCC3)NS(=O)(=O)C4=CC(=C(C=C4)F)Cl 1 1.67 4 5 0 -3.49505125117694 16025782 CCN1C(=C(C2=C1C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)C)C 1 5.325 3 1 5.85145741714966 16025780 CCN1C(=C(C2=C1C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C)C 1 4.353 3 1 3.13497895612485 16025774 CCN1C(=C(C2=C1C=CC(=C2)C(=O)NCCCN3CCCCC3C)C)C 1 4.013 3 1 -6.46168872054553 16025772 CCC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC 1 4.537 3 1 -5.29237057598543 16025770 CCN1C(=C(C2=C1C=CC(=C2)C(=O)NCCCN3CCCCC3)C)C 1 3.636 3 1 -3.35622801491707 16025738 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC4=C(C=C3)N(C(=C4C)C)C 1 4.868 3 1 -3.97599130110303 16025720 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N(C(=C4C)C)C 1 4.976 3 1 1.58960871718619 16025716 CC1=C(N(C2=C1C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C)C 1 4.004 3 1 2.33733552399292 16025706 CC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)C 1 3.664 3 1 -7.25933215267747 16025688 CC1=C(N(C2=C1C=C(C=C2)C(=O)NCCCN3CCCCC3)C)C 1 3.287 3 1 -4.15387144704901 16025653 CC1=C(NC2=C1C=C(C=C2)C(=O)NCCCN3CCCCC3)C 1 3.081 3 1 -3.58276183487964 16025643 CC1=CC=C(C=C1)CN2CCC(CC2)CNS(=O)(=O)C3=CN(C(=C3)C(=O)OC)C 1 2.946 3 4 0 -3.6144928616198 16025641 CN1C=C(C=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.228 3 4 0 -10.6686232228097 16025637 COC(=O)C1=CC(=CN1)S(=O)(=O)NCC2CCN(CC2)CC3=CC(=CC=C3)F 1 2.459 3 4 0 -2.07548521103925 16025635 COC(=O)C1=CC(=CN1)S(=O)(=O)NCC2CCN(CC2)CC3=CC=CC=C3F 1 2.459 3 4 0 -5.33314135401544 16025633 CC1=CC(=C(C=C1)C)CN2CCC(CC2)CNS(=O)(=O)C3=CNC(=C3)C(=O)OC 1 3.226 3 4 0 -3.43589920730594 16025631 COC(=O)C1=CC(=CN1)S(=O)(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)F 1 2.459 3 4 0 -2.66654935208739 16025629 CC1=CC=C(C=C1)CN2CCC(CC2)CNS(=O)(=O)C3=CNC(=C3)C(=O)OC 1 2.74 3 4 0 -3.37842637755264 16025626 CC1=CC2=C(C=C1)OCCN2S(=O)(=O)C3=C(C=CC(=C3)C4=C(C(=NO4)C)C)C 1 4.33 2 4 -9.92871283788889 16025622 CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)NCC3CCN(CC3)CC4=CC=CC=C4F 1 4.251 3 3 -4.91510547868678 16025620 CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)F 1 4.251 3 3 -2.24851347675873 16025611 CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CNC(=C3)C(=O)OC 1 2.68 3 4 0 -17.3025304643907 16025536 CCOC(=O)C1=C(NC(=C1S(=O)(=O)N(C)CC(=O)NCC2=CC=C(C=C2)C)C)C 1 1.665 3 5 0 -15.1036991729099 16025374 CCOC1=CC=CC=C1CNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C 1 2.731 2 4 -3.78699445930336 16025380 CC1(C2=C(C=CC(=C2)S(=O)(=O)NCCC3=CC=C(C=C3)SC)N(C1=O)C)C 1 3.262 2 3 0.668070808278473 16025352 CC1=CC(=C(C=C1)C)CNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C 1 3.371 2 3 -0.289835278569507 16025343 CCOC(=O)C1=C(NC(=C1S(=O)(=O)N(C)CC(=O)NCC2=CC(=CC=C2)Br)C)C 1 1.927 3 5 0 -14.6644118903762 16025313 CN1C=C(C=C1C(=O)OC)S(=O)(=O)NCC2CCN(CC2)CC3=CC(=CC=C3)F 1 2.665 3 4 0 -2.31155169510641 16025311 CN1C=C(C=C1C(=O)OC)S(=O)(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)F 1 2.665 3 4 0 -2.90261583615455 16025292 CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOC4=CC=CC=C43 1 2.855 2 5 0 -10.0961352864092 16025288 CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOC4=C3C=C(C=C4)Cl 1 3.52 2 5 0 -7.99516724318064 16025286 CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N(CCC(=O)OC)C3=CC=CC=C3 1 3.009 2 6 0 -13.7480523832976 16025284 CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)NCC3=CC=C(C=C3)OC(C)C 1 3.564 2 5 0 -5.67224376401417 16025282 CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=C(C=CC(=C2)C3=CC(=NO3)C)OC 1 3.386 2 5 0 -7.06782247961211 16025280 CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=C(C=CC(=C3)C4=CC(=NO4)C)OC 1 3.97 3 4 0 -16.5234020277726 16025166 CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)NCC3=CC(=CC=C3)Br 1 4.105 2 3 -3.31506530959852 16025158 CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.383 3 5 0 -8.94971474769912 16025149 CCOC(=O)CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CSC(=C2)C(=O)N 1 1.79 2 5 0 -14.9679445618305 16025147 C1=CC(=CC=C1CNS(=O)(=O)C2=CSC(=C2)C(=O)N)Br 1 2.028 2 3 -3.24309745406553 16025145 COC1=C(C=C(C=C1)CNS(=O)(=O)C2=CSC(=C2)C(=O)N)OC 1 1.247 2 5 0 -8.46315494368926 16025143 CC(C)OC1=CC=C(C=C1)CNS(=O)(=O)C2=CSC(=C2)C(=O)N 1 1.99 2 4 0 -5.22259468869371 16025141 CC1=CC(=CC=C1)CNS(=O)(=O)C2=CSC(=C2)C(=O)N 1 1.766 2 3 0 -2.79297263693387 16025139 C1=CC(=CC(=C1)Br)CNS(=O)(=O)C2=CSC(=C2)C(=O)N 1 2.028 2 3 -3.49728361557269 16025137 CCOC1=CC=CC=C1CNS(=O)(=O)C2=CSC(=C2)C(=O)N 1 1.612 2 4 0 -7.33207017433213 16025119 CC1=CC=CC=C1CNS(=O)(=O)C2=CSC(=C2)C(=O)N 1 1.766 2 3 0 -5.41936626512824 16025117 CC(C)OCCCN(C)C1CCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)N 1 0.671 3 4 0 -18.4403766838354 16025114 CN(C)CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CSC(=C2)C(=O)N 1 1.624 3 3 0 -9.81964558629057 16023829 CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC(=CC=C3)Cl)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 4.017 5 5 0 -3.03902518609817 16023476 COC1=CC=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N 1 1.551 6 3 0 -21.3124235565722 16023472 CC1=C(C=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N)Cl 1 2.718 6 2 0 -20.7269126616822 16023464 COC1=C(C=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=CC(=C(C=C3)F)Cl)N)OC 1 2.077 6 4 0 -20.5952728966075 16023462 CC1=CC(=CC=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=CC(=C(C=C3)F)Cl)N 1 2.596 6 2 0 -13.5398886942571 16023440 CC1=C(C=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N)Cl 1 2.137 6 2 0 -23.4852671592844 16023436 CC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC(=CC=C3)OC)N 1 2.381 6 3 0 -21.2057342231122 16023434 CCC1=CC=CC=C1NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC(=CC=C3)OC)N 1 2.172 6 3 0 -23.7082944218142 16023410 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(N=N3)CC(=O)NC4=CC=C(C=C4)Br)N 1 1.763 6 4 0 -22.3987861627557 16023409 CC1=CC2=C(C=C1)N=C3C2=CNN(C3=O)CC(=O)NCCCN4CCN(CC4)C5=CC=C(C=C5)F 1 1.866 6 2 0 -7.44696841871648 16023408 CC(C)C1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N 1 2.209 6 4 0 -22.4806654115894 16023406 COC1=CC=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N 1 0.998 6 5 0 -22.9602238269192 16023403 CC1=CC2=C(C=C1)N=C3C2=CNN(C3=O)CC(=O)NCCC4=CC=C(C=C4)Cl 1 2.399 4 2 -9.05793595485494 16023398 CC1=CC(=C(C=C1)C)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CO3)N 1 1.401 6 3 0 -25.0009995292536 16023397 CCN(CCCNC(=O)CN1C(=O)C2=NC3=C(C2=CN1)C=C(C=C3)C)C4=CC=CC=C4 1 2.052 5 2 0 -14.3773835553037 16023377 CCN(CCCNC(=O)CN1C(=O)C2=NC3=C(C2=CN1)C=C(C=C3)C)C4=CC=CC(=C4)C 1 2.538 5 2 0 -13.3923950166926 16023375 CCN(CCCNC(=O)CN1C(=O)C2=NC3=C(C2=CN1)C=C(C=C3)C)CC4=CC=CC=C4 1 1.963 5 2 0 -11.1973365355535 16023372 CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=C(N=N2)C(=O)NC3=C(C=C(C=C3)F)F)N)C 1 3.109 6 2 0 -18.233443779738 16023369 CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C3=NC4=C(C3=CN2)C=C(C=C4)C 1 0.847 4 4 0 -13.6261468007271 16023347 CC1=CC2=C(C=C1)N=C3C2=CNN(C3=O)CC(=O)NCC4=CC=CO4 1 0.595 4 3 0 -13.6249748318501 16023269 C1CNCCC1C2=C(C=NN2C3=CC(=CC=C3)F)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 2.188 5 3 0 -4.95099337881857 16023144 CCC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NN=C(C4=C(N(N=C43)C5=CC=CC=C5)C)C 1 4.625 6 1 0 -8.24705375975692 16023140 CCOC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NN=C(C4=C(N(N=C43)C5=CC=CC=C5)C)C 1 4.015 6 2 0 -8.77010500672317 16023138 CCOC1=CC=CC=C1CNC(=O)C2CCCN(C2)C3=NN=C(C4=C(N(N=C43)C5=CC=CC=C5)C)C 1 4.015 6 2 0 -10.8238092826762 16023115 CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)N4CCCC(C4)C(=O)NC5=C(C=CC(=C5)F)F)C 1 4.087 6 1 0 0.8059749588953 16023027 CN(CC1=CC=C(C=C1)F)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3 1 2.536 4 3 0 -9.82167165089941 16023010 CC1CCN(CC1)C(=O)C2CCN(CC2)C3=NN=C(C4=C(N(N=C43)C5=CC=C(C=C5)OC)C)C 1 3.323 6 2 0 -5.84670389924439 16023006 CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=NN=C(C4=C(N(N=C43)C5=CC=C(C=C5)OC)C)C 1 4.018 6 2 0 -5.81526839785901 16023001 CC1=CC=C(C=C1)CN2CCCN(S2(=O)=O)CC3=C(C=C(C=C3C)C)C 1 3.954 2 2 1.35604169473406 16022986 CC1=C2C(=NN=C(C2=NN1C3=CC=C(C=C3)OC)N4CCC(CC4)C(=O)NC5CCCCC5)C 1 3.806 6 2 0 -2.60953808034578 16022982 CC1=C2C(=NN=C(C2=NN1C3=CC=C(C=C3)Cl)N4CCC(CC4)C(=O)N5CCCCC5)C 1 3.752 6 1 0 -0.852743587179235 16022976 CC1CCC(CC1)NC(=O)C2CCN(CC2)C3=NN=C(C4=C(N(N=C43)C5=CC=C(C=C5)Cl)C)C 1 4.739 6 1 0 -2.61828232672731 16022948 CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)N4CCC(CC4)C(=O)NCCC5=CC=CC=C5OC)C)C 1 4.339 6 2 0 -9.28358095306031 16022946 CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)N4CCC(CC4)C(=O)NCCC5=CC=CC=C5C)C)C 1 4.842 6 1 0 -6.45287626569366 16022942 CC1CCN(CC1)C(=O)C2CCN(CC2)C3=NN=C(C4=C(N(N=C43)C5=CC=C(C=C5)C)C)C 1 3.826 6 1 0 -5.62203428443405 16022925 CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)N4CCC(CC4)C(=O)N(C)CC5=CC=CC=C5)C)C 1 4.24 6 1 0 -2.48646943457061 16022923 CCC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN=C(C4=C(N(N=C43)C5=CC=C(C=C5)C)C)C 1 4.977 6 1 0 -4.90666357201185 16022921 CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=NN=C(C4=C(N(N=C43)C5=CC=C(C=C5)C)C)C 1 4.367 6 2 0 -7.31500609791876 16022877 COCCNC(=O)CN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3 1 1.748 3 4 0 -31.4025603738955 16022875 CC1=CC(=CC=C1)CNC(=O)CN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCCCC4 1 3.949 3 3 -27.3709851190809 16022869 CN(C)CCNC(=O)CN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3 1 2.018 4 3 0 -26.0532370281619 16022863 CCC(C)NC(=O)CN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3 1 3.129 3 3 -30.9699938360702 16022841 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CC(=O)NCC4=CC(=CC=C4)OC 1 3.242 3 4 0 -31.4695023900343 16022802 CCC(C(=O)NC1=CC=C(C=C1)OCC)N2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4 1 3.817 5 3 0 -9.93725035351502 16022782 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCC4=C(C=C(C=C4)OC)OC)C 1 2.935 5 4 0 -10.3193674531935 16022777 COC1=CC=CC(=C1OC)CNC(=O)CN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 2.517 3 5 0 -30.0128158335617 16022775 CC1=CC(=CC=C1)CNC(=O)CN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 3.036 3 3 -27.0165166049129 16022770 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCC4=CC=CO4)C 1 2.149 5 3 0 -11.3985927977408 16022742 CCOC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4)OCC 1 3.469 5 4 0 -15.7243043547499 16022704 CC(C(=O)NCC1=CC(=CC=C1)OC)N2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCCCC4 1 3.93 3 4 0 -21.5954473270577 16022702 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CCCC(=O)NCC4=CC=CC=C4C)C)C 1 4.025 5 2 0 -16.0839508157605 16022700 CCOC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=C(C=C4)C 1 3.871 5 3 0 -15.9230668516899 16022698 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CCCC(=O)NCC4=C(C(=CC=C4)OC)OC)C)C 1 3.506 5 4 0 -16.9247129568695 16022696 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CCCC(=O)NCC4=CC(=C(C=C4)OC)OC)C)C 1 3.506 5 4 0 -19.4587581307545 16022694 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CCCC(=O)NCC4=CC=CC=C4F)C)C 1 3.744 5 2 0 -16.1808552402203 16022692 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CCCC(=O)NCC4=CC=C(C=C4)F)C)C 1 3.744 5 2 0 -14.0320004653725 16022690 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CCCC(=O)NCC4=CC=CC=C4OC)C)C 1 3.522 5 3 0 -17.2711015310478 16022688 CC1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=C(C=C4)C 1 4.346 5 2 0 -14.9786429211895 16022670 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CCCC(=O)NCCC4=CC=CC=C4)C)C 1 3.86 5 2 0 -14.9671388837516 16022663 CCC(C(=O)NC1=C(C=CC(=C1)F)F)N2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=C(C=C4)C 1 4.381 5 2 0 -7.20261311414215 16022659 CCC(C(=O)NCC1=CC=CO1)N2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=C(C=C4)C 1 3.159 5 3 0 -11.0971383822548 16022653 COC1=CC(=C(C=C1)OC)CNC(=O)CCCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 3.087 3 5 0 -32.5736154118734 16022649 CCOC1=CC=CC=C1CNC(=O)CCCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 3.452 3 4 0 -34.3126647032993 16022647 COC1=CC=C(C=C1)CNC(=O)CCCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 3.103 3 4 0 -31.6611502726506 16022643 CSC1=CC=C(C=C1)CNC(=O)CCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 3.34 3 3 -25.8239221511052 16022641 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CCC(=O)NCC4=CC(=CC=C4)F 1 3.004 3 3 -26.6009745161818 16022638 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)C(C)C(=O)NCCC4=C(C=CC(=C4)OC)OC)C)C 1 3.742 5 4 0 -11.6221273020729 16022634 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)C(C)C(=O)NCC4=CC=CO4)C)C 1 2.635 5 3 0 -10.8230026549622 16022628 CCOC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=C(C=C4)C 1 3.302 5 3 0 -11.3444610422294 16022622 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CCC(=O)NCC4=CC=CC=C4F 1 3.004 3 3 -29.4660168409575 16022618 COC1=CC=CC(=C1)CNC(=O)CCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4 1 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CCCCC(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCCCC2 1 2.035 4 3 0 -20.3300063706075 16017593 CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCOCC3 1 0.921 4 4 0 -18.491303845992 16017592 CC(C)C(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCCCC2 1 1.585 4 3 0 -18.4720165001025 16017591 C1COCCN1S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Br 1 1.183 4 4 0 -18.2272844057272 16017590 CCCC(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCCCC2 1 1.579 4 3 0 -21.7515929250928 16017589 C1COCCN1S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl 1 1.099 4 4 0 -18.9142288099208 16017588 CCC(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCCCC2 1 1.123 4 3 0 -16.3292987904453 16017587 CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCOCC3 1 0.921 4 4 0 -18.6691547202499 16017586 C1CCCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br 1 2.869 4 3 0 -16.3456330533148 16017585 C1COCCN1S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)F 1 0.64 4 4 0 -17.9572776947847 16017584 COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCCC3)OC 1 2.087 4 5 0 -21.6819423484066 16017582 COC1=CC=CC=C1C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCCC3 1 2.104 4 4 0 -18.477278355344 16017581 CC1CCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Cl 1 2.58 4 3 0 -16.9595468080206 16017580 CN(CC1=CC=CO1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl 1 2.177 4 4 0 -12.8487925893879 16017576 CN(CC1=CC=CO1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3 1 1.512 4 4 0 -13.3993660672264 16017564 C1CCCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3F 1 2.326 4 3 0 -18.1488173907965 16017563 CC1CCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)OC)OC 1 1.883 4 5 0 -24.4034306017717 16017562 CC1=CC=CC=C1C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCCC3 1 2.606 4 3 0 -19.3459694804374 16017560 C1CCCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3Br 1 2.869 4 3 0 -16.037760278606 16017559 CC1CCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)C 1 2.402 4 3 0 -19.2546093779073 16017558 C1CCCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Br 1 2.869 4 3 0 -16.2691016842774 16017556 C1CCCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl 1 2.785 4 3 0 -16.9560460884711 16017555 COC1=CC=CC=C1C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCC3 1 1.648 4 4 0 -18.477278355344 16017554 CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCCC3 1 2.606 4 3 0 -16.7109719988002 16017553 C1CCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3Br 1 2.412 4 3 0 -16.037760278606 16017552 C1CCCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Cl 1 2.785 4 3 0 -14.8889733082134 16017551 C1CCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Cl 1 2.328 4 3 0 -14.8889733082134 16017550 C1CCCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3 1 2.12 4 3 0 -17.5066195663096 16017546 CN(CC1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3 1 2.33 4 3 0 -11.6413950431925 16017531 COC1=CC=C(C=C1)NS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3F 1 2.307 4 4 0 -10.2111868329125 16017530 CCC(CC)C(=O)NC1=NN=C(S1)S(=O)(=O)N2C(CC3=CC=CC=C32)C 1 3.153 4 3 0 -13.4223111483561 16017529 CC1=CC(=CC=C1)NS(=O)(=O)C2=NN=C(S2)NC(=O)C3CCCCC3 1 3.066 4 3 0 -2.27521038055386 16017528 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=NN=C(S3)NC(=O)CC(C)C 1 2.486 4 3 0 -17.4387779426413 16017527 CC1=CC(=CC=C1)NS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)C 1 3.09 4 3 0 -8.62692807380923 16017526 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=NN=C(S3)NC(=O)C(C)C 1 2.241 4 3 0 -15.6081784691329 16017525 CC1=CC=CC=C1C(=O)NC2=NN=C(S2)S(=O)(=O)NC3=CC=CC=C3C 1 3.09 4 3 0 -13.2001728572515 16017524 CCC(=O)NC1=NN=C(S1)S(=O)(=O)N2C(CC3=CC=CC=C32)C 1 1.778 4 3 0 -13.4654607594757 16017521 CC1=CC=CC=C1NS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Cl 1 3.268 4 3 0 -8.17756942936831 16017519 CCC(C(=O)NC1=NN=C(S1)S(=O)(=O)NC2=CC=CC=C2)OC3=CC=CC=C3 1 2.961 4 4 0 -10.1811410036435 16017517 C1=CC=C(C=C1)NS(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=CC=C3 1 1.953 4 4 0 -9.51069821668173 16017508 CCN(C1=CC(=CC(=C1)C)C)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 3.04 4 4 0 -12.6270984290485 16017504 CCN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)F 1 2.697 4 5 0 -13.29007990893 16017499 C1CCC(CC1)C(=O)NC2=NN=C(S2)S(=O)(=O)NC3=CC=CC=C3 1 2.58 4 3 0 -4.29929642228849 16017495 C1=CC=C(C=C1)NS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl 1 2.782 4 3 0 -8.93051645682863 16017484 CCN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl 1 3.32 4 4 0 -13.8893510803472 16017482 CC(C)CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.894 4 5 0 -12.9838116085769 16017476 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.424 4 4 0 -16.4355976354977 16017472 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.205 4 4 0 -11.1143019630233 16017432 CCC(CC)C(=O)NC1=NN=C(S1)S(=O)(=O)N2CCC3=CC=CC=C32 1 2.776 4 3 0 -17.8064076466662 16017430 CC(C)CC(=O)NC1=NN=C(S1)S(=O)(=O)N2CCC3=CC=CC=C32 1 2.109 4 3 0 -21.8228744409514 16017428 CC(C)C(=O)NC1=NN=C(S1)S(=O)(=O)N2CCC3=CC=CC=C32 1 1.863 4 3 0 -19.992274967443 16017426 CCC(=O)NC1=NN=C(S1)S(=O)(=O)N2CCC3=CC=CC=C32 1 1.401 4 3 0 -17.8495572577858 16017410 CC1=CC=CC=C1N(C)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3F 1 3.015 4 3 0 -16.2962068161889 16017398 COC1=CC=CC=C1C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.565 5 4 0 -15.6793266199761 16017394 CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.068 5 3 0 -13.9130202634323 16017390 CC1=CC=CC=C1N(C)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.205 4 4 0 -13.8814902555182 16017382 CCN(C1=CC=CC=C1C)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.554 4 4 0 -15.6088502688556 16017379 CN(C1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=CC=C3 1 2.159 4 4 0 -13.5160232960942 16017377 CN(C1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3CCCCC3 1 2.786 4 3 0 -8.304621501701 16017369 CC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=NN=C(S3)NC(=O)C4=CC=CC=C4 1 2.862 5 3 0 -15.4205448564069 16017355 CN(C1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 1.719 4 4 0 -11.7138962778959 16017343 CCC(C(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCC2)OC3=CC=CC=C3 1 2.051 4 4 0 -17.727583656082 16017341 C1CCN(C1)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=CC=C3Cl 1 1.707 4 4 0 -17.1490438513396 16017339 C1CCN(C1)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)F 1 1.249 4 4 0 -15.8570298316862 16017337 CC1=CC=CC=C1OCC(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCC3 1 1.529 4 4 0 -16.4920495976076 16017335 C1CCN(C1)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=CC=C3 1 1.043 4 4 0 -17.0571408691202 16017333 COC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCC3 1 1.191 4 4 0 -17.3173016440372 16017331 C1CCN(C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3F 1 1.413 4 3 0 -17.7943488766284 16017329 C1CCN(C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3Br 1 1.956 4 3 0 -15.683291764438 16017325 CCN(C1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C(C)(C)C 1 2.554 4 3 0 -18.9842650155067 16017324 CCN(C1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3OC 1 2.656 4 4 0 -15.6682302234361 16017323 CCN(C1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.067 4 4 0 -12.925052698218 16017319 C1CCN(C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl 1 1.872 4 3 0 -16.601577574303 16017301 CC(C)CN(C1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.91 4 4 0 -13.1704397143053 16017300 CC1CC2=C(N1S(=O)(=O)C3=NN=C(S3)NC(=O)CC(C)C)C=CC(=C2)C 1 2.972 4 3 0 -16.5285639839482 16017295 CC(C(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCCCC2)OC3=CC=CC=C3 1 2.44 4 4 0 -17.9231606007688 16017294 C1CCCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)Cl 1 2.62 4 4 0 -15.1013766807327 16017292 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(C(=O)N3)C 1 0.341 3 6 0 -26.3395310676131 16017290 CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Br)NC1=O 1 1.784 3 4 0 -12.5506294009939 16017275 CC1=NN(C(=O)C2=CC=CN12)CC(=O)NC3=CC=CC=C3OC 1 1.295 4 3 0 -11.9045048838929 16017270 CCC1=CC=CC(=C1NC(=O)CN2C(=O)C3=CC=CN3C(=N2)C)C 1 2.74 4 2 -11.3096031809008 16017258 CN1C(=CC(=NS1(=O)=O)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)OC 1 1.782 3 4 0 -5.8282249566185 16017256 CC1=CC=C(C=C1)NC(=O)C2=CC(=NS(=O)(=O)N2C)C3=CC=CS3 1 2.285 3 3 -5.41525874747436 16017254 CN1C(=CC(=NS1(=O)=O)C2=CC=CS2)C(=O)NC3=C(C=C(C=C3)F)F 1 2.209 3 3 -5.01488131453914 16017249 CC1=NN(C(=O)C2=CC=CN12)CC(=O)NCC3=CC=C(C=C3)OC 1 1.301 4 3 0 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CCC1=CC=C(C=C1)NC(=O)CN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 2.451 4 5 0 -23.2755107012267 16008209 CCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3 1 1.248 3 5 0 -26.3067656507861 16008208 CC1=C(C(=CC=C1)NC(=O)CN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C3=C(NC(=O)NC3=O)C)C 1 2.481 4 5 0 -22.2181098878754 16008206 CC1=CC(=CC(=C1)N(CC(=O)NC2=CC(=CC(=C2)OC)OC)S(=O)(=O)C3=C(NC(=O)NC3=O)C)C 1 1.476 4 7 0 -26.5378637922754 16008188 CC1=CC(=CC(=C1)N(CC(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)C3=C(NC(=O)NC3=O)C)C 1 2.18 4 5 0 -28.2183176550455 16008186 CCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C)C)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 1.841 4 6 0 -25.6922635642919 16008184 CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)C)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 1.361 4 6 0 -27.7322275397111 16008183 CCCSCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3 1 1.012 3 5 0 -29.1545701202775 16008182 CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)OC)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 0.859 4 7 0 -28.102173725721 16008179 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC(=CC(=C2)OC)OC)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 0.835 4 8 0 -27.0314367065693 16008176 CCOCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3 1 -0.257 3 6 0 -29.5151288533827 16008175 CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 1.54 4 6 0 -28.9075703758608 16008157 CC1=CC=C(C=C1)CNC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 1.013 4 6 0 -26.9660043880031 16008155 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC 1 0.51 4 7 0 -27.6040267358868 16008153 CCC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 1.462 4 6 0 -23.198540270334 16008150 CCCCN(C)CCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.22 4 6 0 -27.8087166517072 16008146 CCCN(CCC)CCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.574 4 6 0 -27.3026184958733 16008143 COCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 -1.379 3 7 0 -30.3198681502708 16008141 CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)N4CCN(CC4)C)S(=O)(=O)C5=CC=CC=C5C2=O 1 4.02 3 4 0 -0.502580650436525 16008125 CCOCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 -1.03 3 7 0 -31.8277800890005 16008119 CCN(CC)CCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 -0.474 4 6 0 -26.8261248424785 16008117 CCC(C)NC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 -6.e-002 3 6 0 -29.7720075123378 16008094 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5 1 3.806 2 5 0 -10.9241831751992 16008091 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)(=O)CC(=O)NCCC3=C(C=C(C=C3)OC)OC 1 2.461 2 7 0 0.154936692395561 16008089 CCN1CCN(CC1)CCCNC(=O)CS(=O)(=O)CC2=C(OC(=N2)C3=CC(=CC=C3)OC)C 1 1.096 4 5 0 2.96244270407934 16008087 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)(=O)CC(=O)NCCCN3CCN(CC3)C 1 0.747 4 5 0 5.22384592133685 16008085 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)(=O)CC(=O)NC3=C(C=CC(=C3)F)F 1 2.576 2 5 0 7.703662360957 16008083 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)(=O)CC(=O)NC3=CC=CC(=C3)C(=O)C 1 1.905 2 6 0 4.2021759623536 16008078 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)S(=O)(=O)C5=CC=CC=C5C(=O)N4CC6=CC=C(C=C6)F 1 4.314 4 4 0 0.228874590893521 16008061 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)(=O)CC(=O)NCCCC3=CC=CC=C3 1 2.95 2 5 0 1.8875082008885 16008057 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)(=O)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.461 2 7 0 -0.366448119197726 16008051 CCOC1=CC=C(C=C1)CCNC(=O)CS(=O)(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)OC)C 1 2.826 2 6 0 0.949683501250895 16008049 CC1=CC=C(C=C1)CCNC(=O)CS(=O)(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)OC)C 1 2.98 2 5 0 2.08585283896881 16008046 CC1CCCN(C1)CCCNC(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F 1 4.527 3 4 0 -8.58001237526471 16008027 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=C(C=CC(=C5)C)C 1 4.176 3 5 0 -5.43369050978003 16008007 CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F 1 3.602 3 4 0 -4.17489169760929 16007993 CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F 1 3.157 3 3 -1.89709973262394 16007984 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CS(=O)CC(=O)NCC3=CC=CC=C3OC 1 2.043 2 6 0 1.06154355628754 16007979 C1CCN(C1)C(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F 1 3.757 2 4 -4.97080365485911 16007966 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CS(=O)CC(=O)NCC3=CC=C(C=C3)OC 1 2.043 2 6 0 2.80996618068222 16007960 CC1=CC=C(C=C1)CCNC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=CC=C3Cl)C 1 3.565 2 3 7.39229241968188 16007958 CC1=C(N=C(O1)C2=CC=CC=C2Cl)CS(=O)CC(=O)NCC3=CC=C(C=C3)Cl 1 3.422 2 3 7.99490519121828 16007956 CC1=C(N=C(O1)C2=CC=CC=C2Cl)CS(=O)CC(=O)NCC3=CC=CC=C3Cl 1 3.422 2 3 4.49392607545051 16007952 CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)CC(=O)NCCC3=CC=C(C=C3)Cl 1 3.565 2 3 8.74792427997794 16007930 CCOC1=C(C=C(C=C1)CCNC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C)C)OCC 1 3.565 2 5 0 1.8724488348833 16007928 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.867 2 5 0 3.13375816635473 16007922 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.036 3 3 14.0347337768588 16007902 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.831 3 3 13.0615535562513 16007894 CC1=CC=CC(=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.831 3 3 15.8702556600568 16007890 CC1=C(N=C(O1)C2=CC=CC=C2F)CS(=O)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.587 2 5 0 1.53559573705611 16007814 CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)OC)S(=O)C4=CC=CC=C4C1=O 1 3.121 2 4 -11.7154165498697 16007809 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCCC3 1 3.965 1 4 -12.7096527721153 16007802 CCN1CCN(CC1)CCCNC(=O)CS(=O)(=O)CC2=C(OC(=N2)C3=CC=CC=C3C)C 1 1.599 4 4 0 0.826650364087846 16007800 CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)(=O)CC(=O)NCCCN3CCN(CC3)C 1 1.25 4 4 0 3.08805358134536 16007794 CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)(=O)CC(=O)NCCC3=CC=CC=C3 1 2.996 2 4 0.896677631844159 16007791 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCCC3=CC=CC=C3 1 4.011 1 4 -13.6265413206977 16007789 CC1CCC(CC1)NC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3C 1 4.217 1 4 -14.9533619182278 16007787 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CC=C3OC 1 3.674 1 5 -16.0638680163327 16007785 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3C 1 4.176 1 4 -13.556527573444 16007777 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCCC3 1 3.462 1 5 -12.3164704998587 16007776 CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)(=O)CC(=O)NC(C)C3=CC=CC=C3 1 3.052 2 4 0.178292213824932 16007759 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=C(C=C4)OC 1 4.412 2 5 0 -7.95570694883832 16007757 C1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br 1 4.273 1 4 -12.2866408967991 16007751 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=C(C=C4)Br 1 4.41 2 4 -5.92329494430121 16007749 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=C(C=C4)Br 1 4.188 2 5 0 -6.90947249995942 16007747 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=C(C=C4)Br 1 4.41 2 4 -5.78462926535003 16007746 CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5 1 3.3 3 3 -5.19886056333205 16007743 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)NCCC3=CC=CC=C3)C 1 2.454 3 4 0 -20.8383231287277 16007741 CCC(C)NC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCCC3)CC 1 2.368 3 4 0 -23.7673522464129 16007740 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)NCCC3=CC(=C(C=C3)OC)OC)C 1 2.421 3 6 0 -24.5744270656829 16007715 CCCN(CCC)C(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCCC3)CC 1 3.068 3 4 0 -20.0924386589661 16007711 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCCCOC 1 0.593 3 5 0 -24.5359442912382 16007702 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C)C(=O)NCCC3=CC=C(C=C3)C 1 2.591 3 4 0 -14.247135118565 16007698 CCCCN(CCCC)CCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)CC 1 4.655 4 4 0 -23.2758672564292 16007694 CCCCN(C)CCCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)CC 1 3.388 4 4 0 -23.302524811661 16007692 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CN1C2=C(C=C(C=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC(=CC=C4)OC)OC1=O 1 2.199 3 6 0 -9.56616458288881 16024455 CN1C2=C(C=C(C=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4OC)OC1=O 1 2.199 3 6 0 -12.5428237167393 16024453 CN1C2=C(C=C(C=C2)S(=O)(=O)CCC(=O)NCC3=CC=C(C=C3)OC)OC1=O 1 1.947 2 6 0 -18.2899593435368 16024449 CN1C2=C(C=C(C=C2)S(=O)(=O)CCC(=O)NCCC3=CC(=C(C=C3)OC)OC)OC1=O 1 2.252 2 7 0 -21.8363584642617 16024425 CN1C2=C(C=C(C=C2)S(=O)(=O)CCC(=O)N(C)CC3=CC=CC=C3)OC1=O 1 2.169 2 5 0 -15.9680454394551 16024423 CN1C2=C(C=C(C=C2)S(=O)(=O)CCC(=O)NC3=CC(=CC=C3)OC)OC1=O 1 1.94 2 6 0 -12.8905155368206 16024383 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3)F 1 2.605 2 3 -7.36634824323831 16024382 CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C 1 3.372 2 3 -9.77084334636463 16024380 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C 1 2.886 2 3 -9.35767038386865 16024378 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3)Br 1 3.148 2 3 -10.0152699858449 16024376 CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3 1 2.955 2 3 -15.8794546690777 16024374 CC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3 1 2.4 2 3 -10.5888969032221 16024332 CCC1=CC=C(C=C1)CNC(=O)CCC(=O)N2CC3=C(C(=CC=C3)OC)OC4=C2C=CC=N4 1 3.791 3 4 0 -15.6990963040864 16024328 COC1=CC=CC2=C1OC3=C(C=CC=N3)N(C2)C(=O)CCC(=O)NCC4=C(C(=CC=C4)OC)OC 1 2.816 3 6 0 -16.9463647260164 16024300 CC1=CC=C(C=C1)CNC(=O)CCC(=O)N2CC3=C(C(=CC=C3)OC)OC4=C2C=CC=N4 1 3.335 3 4 0 -15.0429581902005 16024298 COC1=CC=CC2=C1OC3=C(C=CC=N3)N(C2)C(=O)CCC(=O)NCC4=CC=CC=C4Cl 1 3.513 3 4 0 -16.5039918472087 16024277 COC1=CC(=C(C=C1)OC)CNC(=O)CCC(=O)N2CC3=CC=CC=C3OC4=C2C=CC=N4 1 2.832 3 5 0 -15.3080774927226 16024275 CCOC1=CC=C(C=C1)CNC(=O)CCC(=O)N2CC3=CC=CC=C3OC4=C2C=CC=N4 1 3.198 3 4 0 -15.3016734094294 16024032 CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=C(C=C(C=C3)F)F)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 3.764 5 5 0 -7.99233209993944 16023929 C1CCN(CC1)C2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)NC(=O)C5=C(C=CC=C5F)F 1 4.062 3 3 0.613724067732498 16023927 CN(C)CCN(CC1=CC=CO1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC=CC=C4OC 1 3.511 3 5 0 -6.2862904544083 16004177 CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3OC)F 1 2.225 4 3 0 -6.18765583749577 16004176 C1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.184 3 5 0 -20.3104505246967 16004154 C1CC(=O)N(C(=O)C1)C2=CC(=C(C=C2)NCCOCCO)[N+](=O)[O-] 1 0.479 3 6 0 -11.8893483622865 16004147 C1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=C(C=C3)F 1 3.416 1 4 -9.92490245691272 16004068 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC6=C(C=C5NC4=S)OCO6 1 4.537 4 4 0 -2.70364195970613 16004062 COC1=CC=C(C=C1)CNC(=O)C2CCC(CC2)CNC3=NC(=S)NC4=CC=CC=C43 1 4.715 4 2 -16.0075151583849 16004052 CN1C(=CC2=C1C3=CC=CC=C3NC2=O)C(=O)NCCCN(C)CC4=CC=CC=C4 1 3.178 4 2 -7.5659859954306 16004023 CC1=CC(=CC=C1)CCN=C2C(=NN(N2O)C3=CC=C(C=C3)OC)[N+](=O)[O-] 1 3.423 5 4 0 1.57909747535203 16003997 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC=C(C=C3)C(=O)C 1 2.048 2 5 0 -27.5805720259916 16003986 CC1=CC(=CC=C1)CCN=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-] 1 3.439 5 3 0 1.63336626282916 16003973 CCOC1=CC=CC2=C1OC3(CC2NC(=O)N3C4=CC=CC(=C4)C(=O)NCC5=CC=CC=N5)C 1 2.968 4 4 0 -17.1288017308468 16003929 CN(CC(=O)NCC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(S2)Br 1 1.928 2 4 0 -13.1553588582534 16003927 CN(CC(=O)NCC1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(S2)Br 1 1.928 2 4 0 -15.2696166893193 16003924 CC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4CCCO4 1 2.457 3 4 0 -16.233487350271 16003906 CC1=CC(=C(C=C1)C)NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)OC 1 3.367 1 4 -2.51310293887249 16003904 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)NC3=CC(=C(C=C3)OC)OC 1 3.005 1 5 -10.5066093311018 16003894 CC1=CC=C(C=C1)CNC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4)SC=C3 1 3.635 3 3 -16.2224460314737 16003877 CC1CCN(CC1)C(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4 1 2.873 2 4 -6.55334196913449 16003834 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CCC5=CC=CC=C5 1 3.718 4 3 0 -6.28498201411799 16003833 COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N)NC2=O 1 2.155 4 6 0 -16.9567200732827 16003831 C1=CC(=CC=C1CNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=O)Cl 1 3.396 3 3 -13.8106247258198 16003827 COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=C(C=CS4)NC3=O 1 3.084 4 4 0 -11.9037098691481 16003819 CC1=C(C(=NN1CCCC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-])Cl 1 3.257 4 3 0 -17.179450256383 16003816 CC(C)CC(C(=O)NC(C)C1=CC=CC=C1)NC(=O)C2CCCCC2 1 4.236 2 2 -14.0508679342296 16003759 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCOCC4)Cl 1 1.571 4 5 0 -17.2730108786029 16003744 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.771 4 6 0 -12.6840421486923 16003712 CN(C1=CC=C(C=C1)Br)C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.855 4 3 0 -18.0434949713991 16003671 CC1=C(C(=CC=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C 1 3.876 2 4 -0.709586030877244 16003668 COC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.978 3 4 0 -16.8642224058923 16003655 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)N4CCOCC4)C 1 1.639 5 6 0 -27.0016627266926 16003637 COC1=CC=CC(=C1)CNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4 1 1.589 3 5 0 -27.7710831976791 16003602 CCOC(=O)C1=CC(=C(C=C1)NCCOC)[N+](=O)[O-] 1 1.606 2 5 0 -12.8039745446872 16003600 C1=CC(=CC=C1CCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Cl 1 3.731 2 4 -3.49154477898773 16003571 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CC5=CC6=C(C=C5)OCO6 1 3.165 4 5 0 -6.71189317413204 16003514 C1CC(CCC1CNS(=O)(=O)C2=CC=CS2)C(=O)NCC3=CC=C(C=C3)F 1 3.268 2 3 -17.7340156281957 16003512 C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCC3=CC=C(C=C3)F 1 2.905 2 3 -15.0227458554688 16003482 COC1=CC(=C(C=C1)N2C(=O)C3=C(N(C2=O)CC(=O)NCC4CCCO4)SC5=C3CCCC5)OC 1 3.108 3 6 0 -25.6394925521238 16003433 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C(=O)N4 1 1.948 4 4 0 -16.4372458949731 16003411 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O 1 1.119 4 4 0 -15.4757827218619 16003393 C1CN(CC2=CC=CC=C21)C(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br 1 4.343 2 2 -5.58450182793103 16003386 CC(C)C(C(=O)NCCC1=CC=CC=C1)NC(=O)C2CCCCC2 1 3.791 2 2 -17.1346526434902 16003364 COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=C(C=C5)F 1 3.791 4 3 0 -5.41663008053732 16003357 C1COCCN1CCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC=C(C=C4)Cl 1 2.666 3 3 -12.6446909855015 16003342 CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NCCCN(C)CC3=CC=CC=C3)Br 1 2.675 3 3 -8.88497429504828 16003333 CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC(=C4)OC)OC 1 4.683 3 4 0 -10.7301504175693 16003326 C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NCCC(=O)NC3=CC=CC=C3C(F)(F)F 1 1.843 4 3 0 -19.218290513029 16003301 C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.658 3 3 -14.6292575061614 16003300 CC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl 1 2.684 4 3 0 -5.72877594676201 16003194 CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCC3 1 3.516 1 4 -6.13128875153802 16003183 CC1=CC=C(C=C1)C2=NN(C(=O)CC2)CC(=O)NCCC(C)C 1 2.381 3 2 -17.6291197313539 16003176 CC1CC(CN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)OC)C 1 1.764 3 4 0 -17.7789542394848 16003171 CC1CC(CN(C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3Cl)C 1 2.58 3 3 -19.0008973208528 16003150 COC1=CC(=C(C=C1)CNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4)OC 1 0.799 3 7 0 -30.8336626390672 16003085 CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC=C 1 3.169 2 2 -20.550761063193 16003078 CC(C)CCSC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCO 1 2.685 4 4 0 -1.47910087579138 16003039 C1CC(CCC1CNC2=NC(=S)NC3=CC=CC=C32)C(=O)NCC4=CC=CC=C4Cl 1 5.396 4 1 -17.1266013767366 16003028 CCOC(=O)CS(=O)(=O)CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC 1 0.349 2 8 0 -14.121896607009 16003027 C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NCC4=CC=CS4 1 2.765 5 2 0 -27.5777425956393 16002965 COC1=CC(=CC(=C1OC)OC)NC2=C3CCCC3=NC4=CC=CC=C42 1 4.581 2 3 1.49137917358932 16002972 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)N4CCCCC4 1 1.436 3 4 0 -20.6022191596948 16002995 COC1=CC=C(C=C1)CNC(=O)CCCC2=NS(=O)(=O)C3=CC=CC=C3N2 1 1.979 3 4 0 -18.4522595189287 16002908 CC1=NC=C(C2=C1OC(=NC3=CC=CC(=C3)C(=O)N)C(=C2)C(=O)NC4=CC(=CC(=C4)OC)OC)CO 1 1.978 4 6 0 -8.6220105344672 16002895 COCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 0.759 4 4 0 -20.640669401513 16002891 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C 1 2.454 3 5 0 -10.0956821664104 16002866 COCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3F 1 0.943 3 5 0 -18.1759354009983 16002787 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C 1 2.916 4 5 0 -22.2722731794947 16002784 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CC4)C 1 2.661 2 3 -27.5317020880372 16002783 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)NC3CCCCC3)C 1 3.044 2 3 -17.3601952817227 16002781 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CCC4 1 3.425 2 3 -11.962028097963 16002740 C1CN(CCC1C(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CN=CC=C3 1 1.995 3 3 0 -9.31475409711152 16002732 CCCC(C1=NC2=C3C=C(C(=CC3=NC(=S)N2N1)OC)OC)OC4=CC=C(C=C4)Br 1 4.674 4 3 0 -2.44946553192623 16002716 CC1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.265 4 3 0 -17.8925789451311 16002715 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C 1 2.729 2 3 -17.6531427067661 16002673 CC1=CC(=C(C=C1)C)NC(=O)CS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.092 3 3 -9.72250589350256 16002666 CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)C(C)(C)C)C(=O)O 1 4.406 1 3 -4.42075403694373 16002656 CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.401 4 4 0 -16.1410411665155 16002649 CN(CC(=O)NC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=C(S2)Br 1 1.905 2 5 0 -14.2539057390278 16002642 C1CN(CCC1C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)C3=CC=C(S3)Br 1 1.591 3 5 0 -20.334773074553 16002638 CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 2.942 2 3 -15.4200708204245 16002628 COC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 2.548 2 4 -16.4494359431506 16002593 CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=CO4 1 3.32 3 4 0 -15.0515300031488 16002576 C1CN(C(=O)N1CC2=CC=CC=C2Cl)CC(=O)NCCCN3CCOCC3 1 0.796 4 3 0 -17.0072992507208 16002562 C1CN(C(=O)N1CC2=CC(=CC=C2)Cl)CC(=O)NCC3=CC=CS3 1 2.231 3 2 -15.0786738320966 16002527 CCC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC(=O)NCC4CCCO4)SC(=C3C)C 1 3.332 3 4 0 -19.8174213537603 16002543 CCC(C)NC(=O)C1C2=CC=CC=C2C(=O)N1CC3=CC(=C(C=C3)OCC)OC 1 3.342 2 4 -19.3301234388746 16002535 CC1=CC=C(C=C1)CN2C(=O)CCC2(C)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.283 2 4 -11.088984525975 16002505 CCCN(CCC)CCNC(=O)C1C2C3=CC=CC=C3CCN2C(=O)C4=CC=CC=C14 1 3.787 3 2 -11.6185576403479 16002475 C1CCCN(CC1)C(=O)C2=NOC(=C2)C3=CC(=CC=C3)Cl 1 3.974 2 2 0.880200932750623 16002469 CCCNC(=O)C1=NOC(=C1)C2=CC3=C(C=C2)OCO3 1 2.371 2 4 -8.37232249551783 16002465 C1=CC(=C(N=C1)Cl)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br 1 3.778 3 2 -2.35517585630728 16002457 C1=CC(=CC=C1C2=CC(=NO2)C(=O)NCCCN3C=CN=C3)Br 1 2.283 4 2 -3.75718319351575 16002448 CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)NCCCOC 1 0.823 3 3 0 -14.4784594023578 16002445 COC1=CC=CC(=C1)CNC(=O)CNS(=O)(=O)C2=CC=C(S2)Br 1 1.722 2 4 0 -14.6631774112355 16002444 CCCN(CCC)CCNC(=O)C1=CN(C(=O)C2=C1C3=CC=CC=C3N2C)C 1 2.775 4 2 -11.4612097479603 16002425 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4F)OC 1 4.309 2 4 -7.45286798505328 16002420 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=CC=C4)OC 1 3.776 2 5 0 -11.1148818125898 16002393 CCOC1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC4=CC=C(C=C4)C 1 4.908 2 3 -6.62774893736392 16002382 CC(C)C1=CC=C(C=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 2.071 3 3 -16.804345775607 16002354 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CC5=CC=C(C=C5)OC 1 3.12 4 5 0 -8.16881147060565 16002341 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)NC(=O)C4CCCO4 1 2.677 3 4 0 -14.9460460573124 16002336 CC1=CC=CC=C1NC2=C(N=C3N2C=CC=C3)C4=CC=CC=N4 1 4.37 4 0 -0.991349826296391 16002283 CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCCCN3CCCC3 1 1.033 3 3 0 -10.9534270662814 16002264 CCOC(=O)CNC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC=CC=C3OC 1 2.287 3 4 0 -11.740604125882 16002260 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=C(C=C(C=C3)OC)OC)N4CCN(CC4)C 1 3.293 4 3 0 -0.906110617912053 16002185 CC1=C(C=C(C=C1)Cl)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 2.961 3 4 0 -10.804340600621 16002179 CC1=C(C=CC=C1Cl)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 2.961 3 4 0 -10.3968709225419 16002178 C1CCCC(CC1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NON=C32 1 1.933 4 4 0 -15.2769381585833 16002134 CCC1=CC(=CC=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.819 3 3 0 -16.3358545162392 16002133 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N(CC)C3=CC=C(C=C3)OCC 1 2.88 2 5 0 -11.9359073255656 16002132 CCCCNC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C 1 1.63 4 4 0 -32.5390056424817 16002130 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N(C)C3=CC=C(C=C3)OC 1 2.183 2 5 0 -8.87872009613623 16002076 COC1=CC(=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)NC2=S)OC 1 4.682 3 4 0 -13.7105821431301 16002084 C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4F 1 2.848 4 3 0 -24.824918038781 16002109 CCN(CC)C(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=C(C=C3)OC)Cl 1 2.581 4 4 0 -17.6058459568291 16002105 CC1CCCN(C1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)Cl 1 3.12 4 4 0 -16.4881339807057 16002099 CC1=C(C=C(C=C1)NC(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O)F 1 1.592 4 3 0 -16.4449845234616 16002087 CC1=CC(=C(C=C1)OC)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.821 3 4 0 -20.357367487606 16002086 CC1(CC2=C(C(C3=C(N2CCN4CCOCC4)CC(CC3=O)(C)C)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])C(=O)C1)C 1 4.184 3 5 0 -22.8911565401175 16001963 CC(=O)N(C)C1=C2C(=C(C=C1)N3CCOCC3)C(=O)C4=CC=CC=C4C2=O 1 1.984 2 4 0 -3.20181558751549 16001900 COC1=C(C=C(C=C1)CCNC2=NC(=S)NC3=CC(=C(C=C32)OC)OC)OC 1 4.035 3 4 0 -7.48812257949619 16001889 C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)Br 1 3.86 2 3 -7.55616731961755 16001880 CC1CCN(CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.062 5 3 0 -20.4841021422166 16001866 C1CCN(CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CCC4 1 2.474 3 3 -15.19431174807 16001860 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)N(C)CC4=CC=CC=C4 1 2.102 3 4 0 -19.0594133101462 16001846 CC1CC(CN(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C)C 1 1.266 4 4 0 -23.1564405269969 16001841 CCN(CC)CCCNC(=O)CN1C=CC2=CC=CC=C2C1=O 1 0.891 3 2 0 -14.9486366317263 16001835 CC(C)NC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=C(C=C3)OC)Cl 1 2.404 4 4 0 -21.1851779271674 16001809 C1CCC2(CC1)N=C3C(=CC=C(C3=NCCC4=CC=CC=C4)[N+](=O)[O-])N2O 1 3.34 4 3 0 -1.78629868234079 16001802 CC(=O)NC1=CC=C(C=C1)N/C=C\2/C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC=CC=C4 1 3.015 3 3 -10.6584864034574 16001700 C1=CC(=CC(=C1)F)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 3.109 2 4 -1.21806492650844 16001672 CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)NCCC3=CC=CC=C3)[N+](=O)[O-] 1 3.06 3 4 0 -6.21165179773863 16001642 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCOCC3)C(=O)NC4=CC=CC=C4F 1 1.464 4 4 0 -23.5685872384794 16001622 CCCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=C(C=C(C=C2C)C)C 1 4.48 2 3 -17.6766267511744 16001611 CC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)NCCCN3CCOCC3 1 0.938 4 3 0 -18.1369532559773 16001610 CC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)NC3CCCC3 1 2.451 3 2 -13.0899375967939 16001607 C1CCN(CC1)CCCNC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 1.756 3 2 0 -16.4198419243704 16001588 CC1CC(CN(C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC(=CC=C3)OC)C 1 1.899 3 4 0 -18.0589852411189 16001582 CCOC(=O)C1CCN(CC1)C(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.13 3 7 0 -30.473184436649 16001581 COC1=CC=C(C=C1)CNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.815 3 6 0 -29.9351353874698 16001575 COCCCNC(=O)CCN1C(=O)CCC(=N1)C2=CC=CC=C2 1 0.494 3 3 0 -19.6348881825089 16001562 CC(C)OCCCN(C1CCN(CC1)C(=O)C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.869 3 6 0 -13.8946445640086 16001487 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C3CCCCC3)C(=O)OC 1 2.706 2 5 0 -9.35398604368333 16001492 C1CC(OC1)CNC2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-] 1 3.004 3 4 0 -15.8080802929188 16001424 CCCCNC(=O)C1CCC(CC1)CNC2=NC(=S)NC3=CC=CC=C32 1 4.477 4 1 -18.944040925633 16001413 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)N6CCOCC6)NC4=S 1 4.358 5 4 0 -8.73094065441927 16001394 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CC(CC(C3)C)C)C(=O)N4CCCC4 1 2.423 3 4 0 -21.1261846023082 16001389 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC(CC3)C)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 2.593 5 4 0 -19.4380261292465 16001378 C1=CC=C2C(=C1)NC(=NS2(=O)=O)CCCC(=O)NCCC3=CC=C(C=C3)Cl 1 2.981 3 3 -15.625741107332 16001345 CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CC(=CC=C3)OC 1 2.331 2 3 -11.8685977257235 16001305 CCCCN(CC)C(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 2.773 4 3 0 -19.3571548742478 16001304 CCN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 1.402 5 3 0 -13.983203061379 16001289 CC(=O)NC1=CC=C(C=C1)NC2=NC(=S)NC3=CC(=C(C=C32)OC)OC 1 2.86 4 3 0 -8.37282736764594 16001281 CC1=CC(=C(C=C1)C)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CN=CC=C4 1 4.081 4 1 -7.36203243995233 16001253 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.748 4 5 0 -5.74592652404057 16001252 COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)OC 1 2.685 3 5 0 -24.3997703415111 16001248 CCOCCCNC(=O)C1=CC2=C(O1)N=C3C=CC(=CC3=C2)OC 1 2.282 2 4 -7.64426167375053 16001245 CCCCN(C)CCNC(=O)C1=CC2=C(O1)N=C3C=C(C=CC3=C2)OC 1 3.469 3 3 -3.67788009998964 16001242 COCCNC(=O)C1=CC2=C(O1)N=C3C=C(C=CC3=C2)OC 1 1.871 2 4 0 -6.66171107146269 16001184 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)N4CCN(CC4)C5=CC=CC=C5 1 2.148 4 4 0 -16.8461586225595 16001188 COCCCNC(=O)CSC1=NC2=CC=CC=C2C3=NC(C(=O)N31)C4=CC=CC=C4 1 2.677 4 3 0 -23.9120946912347 16001199 COC1=CC=CC(=C1)CNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CC4 1 2.467 2 4 -16.2072912459442 16001206 CC1CCN(CC1)C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 1.439 2 4 0 -26.4366787524541 16001210 CN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.544 4 3 0 -15.2021750361874 16001178 CN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NC4=CC(=C(C=C4)OC)OC 1 3.505 2 4 -10.5056503089832 16001154 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N(C)C3=C(C=C(C=C3)OC)OC 1 2.558 2 5 0 -20.2914037795211 16001131 C1CN(C(=O)N1CC2=CC=CC=C2Cl)CC(=O)NCC3=CN=CC=C3 1 1.34 4 2 0 -16.9472057790168 16001095 CN=C1C(=NN(N1O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-] 1 0.834 5 5 0 -1.24482363041676 16001089 COC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC(=CC=C2)F 1 2.6 1 4 0.82988833559982 16001085 CC1=C(C=C(C=C1)NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)OC)Cl 1 3.545 1 4 -0.529261476121903 16001050 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O 1 4.937 3 3 -3.24933210865255 16001032 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NON=C32)C(=O)NCC4=CC=C(C=C4)F 1 2.121 4 4 0 -15.4291641410503 16001021 CN(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(S2)Br 1 2.265 2 3 -12.9656540420231 16001013 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N(C)CC3=CC=CC=C3 1 2.309 2 3 -13.9766608344147 16000975 CC1=CC(=CC=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NC4CCN(CC4)CC5=CC=CC=C5 1 4.048 4 3 0 -6.4725533946142 16000955 COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43)OC 1 1.74 4 6 0 -14.5120352069872 16000946 COC1=CC(=C(C=C1)OC)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4CCCO4 1 2.102 2 5 0 -15.2962048852439 16000945 CCC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NC(C)CC 1 3.968 2 2 -13.6426484067355 16000944 CC1CCC(CC1)NC(=O)C2C3=CC=CC=C3C(=O)N2CC4=C(C=C(C=C4)OC)OC 1 3.853 2 4 -13.3794148253879 16000926 CC1=C(SC2=C1C(=O)N(C(=O)N2CC(=O)NCC3CCCO3)C4=CC=CC=C4)C 1 2.389 3 4 0 -19.8392864131234 16000891 CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)NCCN(C)C)CCOC 1 0.899 4 3 0 -9.00008497124205 16000885 CC1=C(C(=NN1CCCC(=O)NC2=CC=CC=C2C(=O)OC)[N+](=O)[O-])Br 1 2.868 4 5 0 -19.6156260218381 16000871 CC1=C(C(=NN1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] 1 2.326 4 5 0 -16.6513500856875 16000830 CC(C)C(C(=O)NCCC1=CC=CC=C1Cl)NS(=O)(=O)C2=CC=CS2 1 3.483 2 3 -22.2476805766693 16000816 CC1C(NC(CC1=O)C2=C(C=C(C=C2)Br)OC)C3=C(C=C(C=C3)Br)OC 1 4.699 1 3 0.528926643895761 16000795 C1CN(CCN1CCNC(=O)C2=CN3C(=NC4=CC=CC=C4C3=O)C=C2)C5=CC=CC=C5F 1 2.479 5 2 0 -11.8939613149039 16000785 COC1=CC(=CC(=C1OC)OC)N2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC(=CC=C4)F 1 4.292 2 5 0 -4.1074548058906 16000762 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)F)NC1=O 1 1.629 3 4 0 -10.366549153914 16000758 COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5)NC2=O 1 2.769 5 4 0 -6.01503882665453 16000751 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)NC1=O 1 2.347 4 4 0 -3.94941703149699 16000750 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C)NC1=O 1 3.338 4 4 0 -10.1158248107061 16000739 C1CC(OC1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)Cl 1 2.739 2 3 -16.7669077889708 16000724 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.533 3 4 0 -0.687153301575035 16000704 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4=CC=C(C=C4)F 1 2.713 2 5 0 -11.7728430524886 16000626 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.457 3 4 0 -6.63672054570857 16000589 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N(C)C3=C(C=C(C=C3)OC)OC 1 2.166 2 6 0 -10.3927176502697 16000576 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCCCCC4)OC 1 2.576 4 5 0 -14.2184201727319 16000569 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCOCC4)OC 1 0.891 4 6 0 -19.7380946688981 16000568 CC1CC(CN(C1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)OC)OC)C 1 2.759 4 5 0 -16.1540318988195 16000544 CC(=O)NC1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 0.707 4 5 0 -21.9293536988018 16000445 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4CCCCC4C3=O)C 1 2.251 4 4 0 -9.63125158404111 16000429 CC1=C(C=C(C=C1)N(C)C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O)C 1 2.079 4 3 0 -18.3581182156483 16000409 C1COCCN1C(=S)C2=CC=C(O2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.119 2 4 -3.07678712354623 16000309 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC=C(C=C3)OC 1 2.292 2 5 0 -24.278855704339 16000300 CC12CC(C3=C(O1)C(=CC=C3)OC)NC(=O)N2C4=CC=CC(=C4)C(=O)N5CCN(CC5)C6=CC(=CC=C6)OC 1 3.79 4 5 0 -6.96850276733366 16000278 COC1=CC=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCOCC4 1 2.183 4 5 0 -4.98386755359537 16000222 C1CN(CCN1C2=CC=CC=C2)C(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O 1 1.135 4 3 0 -15.4925327048724 16000216 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=C(C=CS4)NC3=O 1 3.084 4 4 0 -10.1227119546741 16000190 CN1CCN(CC1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 1.177 5 4 0 -11.3493677354158 16000113 CCN(C1=CC=CC=C1F)C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.661 4 3 0 -23.1098097595228 16000089 CCCOC1=CC=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4 1 2.999 1 3 0.482389357306124 16000066 COCCNC(=O)CN1C(=O)CCC(=N1)C2=CC=C(C=C2)OC 1 0.167 3 4 0 -17.0332551649088 16000034 C1CN(C2=CC=CC=C21)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-] 1 3.184 2 4 -7.56796640287011 16000025 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC6=C(C=C5NC4=S)OCO6 1 4.52 4 5 0 -4.63630288818209 16000012 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)N3CCN(CC3)C4=CC=CC=N4)C 1 1.773 5 4 0 -16.2038131174039 15999984 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC)C 1 3.058 2 5 0 -18.0955112523384 15999948 CN(CC(=O)NC1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Br 1 2.055 3 3 -7.56791318329489 15999921 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C=CC(=C3)Cl)OC 1 3.938 2 4 -2.76912571742229 15999894 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=N3)NC1=O 1 2.411 4 3 0 -15.7463085550887 15999861 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCCC4)Cl 1 2.345 4 4 0 -15.3502459146593 15999786 C1COC2=C(O1)C=C(C(=C2)Br)NCC3=CC=C(C=C3)Br 1 4.504 1 2 -0.582406004909756 15999778 CC1=CC(=C(C=C1)C)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-] 1 3.816 4 3 0 2.76562711691215 15999761 C1CN(CCC1NC2=C(C=C(C=C2)N3C(=O)CCC3=O)[N+](=O)[O-])CC4=CC=CC=C4 1 2.387 4 4 0 -6.28206612528803 15999757 C1CC(=O)N(C1=O)C2=CC(=C(C=C2)NCCC3=CC(=CC=C3)F)[N+](=O)[O-] 1 2.803 3 4 0 -8.24437897872819 15999728 CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 3.236 2 5 0 -4.44116330030201 15999727 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3CCCCC3)C 1 2.292 3 2 -17.6274761965031 15999698 CC1CCCCN1CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.323 5 3 0 -19.9084094201111 15999682 COC1=CC=C(C=C1)N2N=C(C(=NCC3=CC=CO3)N2O)[N+](=O)[O-] 1 1.798 5 5 0 -1.1426496978201 15999674 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC=CC=C3F 1 1.847 2 4 0 -23.1836520318505 15999671 CCOC1=CC=CC2=C1OC3(CC2NC(=O)N3C4=CC=CC(=C4)C(=O)N5CCN(CC5)C6=CC=CC=N6)C 1 3.543 5 4 0 -9.34454534251308 15999666 CC1CCCN(C1)CCCNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CC4 1 2.337 3 3 -19.6660028301179 15999655 CC1=CC(=CC=C1)CCNC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)OC 1 3.279 3 3 -8.81288959247878 15999556 CN1C2=C(N=C1NCCOC)N(C(=O)N(C2=O)CC3=CC(=CC=C3)Br)C 1 1.979 5 3 0 -10.034835366941 15999507 CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N(C)C3=CC=C(C=C3)OC 1 3.259 2 4 -4.78386186348686 15999466 CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)NC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-] 1 2.864 3 6 0 -8.42248276455631 15999456 CC1CC(CN(C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=C(C=C3)C)C 1 2.723 3 3 -17.8945111660681 15999425 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S)C 1 5.341 5 3 0 -5.02601474095999 15999416 COC1=CC(=C(C=C1)OC)NC2=C3CCCC3=NC4=CC=CC=C42 1 4.597 2 2 4.72448826659669 15999373 CCC1=NC2=C(C=CC(=C2)C(=O)NCC3CCCO3)SC4=C1C=C(C=C4)Cl 1 4.593 2 2 -12.2435366569645 15999363 CCN1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)OC)OC 1 2.785 5 5 0 -5.03991418612712 15999335 CC1=CC(=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CS2)Br 1 2.604 2 3 -11.5736262593418 15999314 COC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 2.578 1 4 -11.7975973783423 15999300 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)NC1=O 1 0.457 4 6 0 -19.8488534341789 15999298 CN(C1=C(C=C(C=C1)OC)OC)C(=O)CC2=C(NC3=CC=CC=C32)C(=O)O 1 3.037 2 5 0 -6.30302969910796 15999296 CC1CC(CN(C1)C(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O)C 1 0.814 3 3 0 -19.2034153446511 15999276 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCCCCC4)Cl 1 3.257 4 4 0 -15.7047144288274 15999218 COC1=C/C(=C/NC2=C(N=C3N2C=CC=C3)C4=CC(=C(C=C4)O)OC)/C(=CC1=O)Cl 1 3.124 3 4 0 2.35663913475636 15999200 CC1=CC(=C(C=C1)C)NC2=C(C=CC3=NON=C32)[N+](=O)[O-] 1 3.816 4 3 0 2.25444275169637e-003 15999196 CC(C)CC(=O)N/C(=N/C1=NC2=CC=CC=C2O1)/N 1 2.227 4 2 -3.58363849307853 15999174 C1CC(CCC1CNS(=O)(=O)C2=CC=CS2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl 1 3.979 3 3 -11.2205451971095 15999108 CC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4CCCO4 1 3.521 3 2 -9.38096745260683 15999103 CN(C)CCNC(=O)C1=CC=CN2C1=NC3=C(C2=O)C4=C(S3)CCCC4 1 1.814 4 2 0 -21.4616781188292 15999098 CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)N(C(C3)C)C(=O)C 1 2.351 2 5 0 -24.5522448796289 15999048 CCC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4 1 3.151 3 2 -13.4122573254232 15999042 C1CCC(CC1)NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)F)SC=C3 1 3.63 3 3 -13.5899652146318 15999028 CC1C(NC(C(C1=O)C)C2=C(C=CC(=C2)Cl)O)C3=C(C=CC(=C3)Cl)O 1 4.542 1 3 4.05091606312377 15999022 CC1=CC=CN2C1=NC(=C2NC3=CC=CC=C3)C4=CC=CC=N4 1 4.37 4 0 -2.02648558960093 15998978 CC(C)NC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3)OC)OC 1 1.723 4 5 0 -19.698883671072 15998972 CCOC(=O)C1=CN=C2C(=C1N3CCN(CC3)C4=CC=CC=N4)C=CC=C2OC 1 3.384 4 3 0 -1.56342716057187 15998951 C1C(=O)N(C(=N)S1)C2=CC=CC=C2Cl 1 2.546 2 1 -4.57739177099996 15998947 CC1=CC(CC2C1C(=O)N(C2=O)C3=CC=CC(=C3)COC)C4CC(=O)N(C4=O)C5=CC=CC(=C5)COC 1 2.486 2 6 0 -3.97685917300437 15998888 CC1=CC(=C(C=C1)NC(=O)C2=NC(=CC=C2)C(=O)OC(C)C)Br 1 4.137 2 3 -15.2242824033982 15998811 CC1=C(NC(=C1C(=O)C)C)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3 1 4.488 2 2 -8.47945415976745 15998797 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(O2)N=C4C=C(C=CC4=C3)C 1 3.386 2 4 -2.74247448356801 15998795 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CCC4 1 2.238 2 5 0 -25.6919801157196 15998784 COC1=CC(=C(C=C1)OC)NC(=O)C(=O)CC(=O)C2=CC(=CC=C2)OC 1 2.362 1 6 0 -4.39972626152905 15998773 COC1=CC=CC=C1CNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CS3 1 3.046 2 4 -21.0705109203958 15998760 C1CN(CCC1C(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.979 4 4 0 -8.47003943248906 15998745 COC1=C(C=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CO3)OC 1 2.669 2 5 0 -9.03261691798609 15998742 COC1=CC(=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CO3)OC 1 2.669 2 5 0 -8.18086667835678 15998738 CC1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC=C(S2)Br 1 2.473 2 3 -16.4588534669792 15998713 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)NC1=O 1 1.666 4 5 0 -8.4563676370452 15998698 COCCNC(=O)C1CC(=O)N(C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC 1 1.758 2 5 0 -11.6853676363512 15998609 C1=CC=C(C(=C1)C(=O)N/C(=N/C2=NC3=CC=CC=C3O2)/N)Br 1 3.264 4 2 -0.581899883560272 15998560 CNC(=O)CN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.895 2 4 0 -16.6916517829464 15998530 CC1CCCN(C1)C2=CC=C(S2)[N+](=O)[O-] 1 3.034 2 2 1.2203279349094 15998515 COC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3)OC 1 2.021 3 5 0 -19.5408837294799 15998485 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCOCC3 1 0.546 3 5 0 -13.3205535022392 15998484 CCC1=CC=C(C=C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-] 1 3.353 5 5 0 1.69032144898591 15998429 C1CCC(CC1)NC(=O)C2=NOC(=C2)C3=CC=CS3 1 3.542 2 2 -8.34900938051059 15998426 COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)OC)OC 1 2.111 3 6 0 -13.713461267851 15998425 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC)OC 1 3.516 3 5 0 -3.88144182957009 15998401 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4)OC 1 1.792 4 5 0 -12.0455655435713 15998372 CC1=CC(=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32)Cl 1 2.961 3 4 0 -9.25833520509708 15998353 CC(C)(C)C1(CC(=NN1C(=O)CCCC2=CC=CC=C2)C(F)(F)F)O 1 4.269 2 2 2.58161871355434 15998262 CC1=CC(=C(C=C1)OC)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 3.374 2 5 0 -4.47220373162912 15998246 COCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC=C2 1 1.562 2 4 0 -20.5812657872181 15998239 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCCC4 1 4.165 3 2 -8.34329223722326 15998220 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)SCC4=CC(=CC=C4)Br)[N+](=O)[O-] 1 5.03 4 3 0 -8.76087997642653 15998182 CC1CCCN(C1)C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.766 4 3 0 -21.2167999702089 15998176 CCCN1CCN(CC1)C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.359 5 3 0 -18.3973291297044 15998160 C1CCCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CN3 1 0.953 4 3 0 -10.2064634864525 15998120 CC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.648 4 5 0 -11.8835618037879 15998092 CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)NCCOC)CCOC 1 0.63 3 4 0 -13.1710169265789 15998088 C1=CSC(=C1)C2=CC(=NO2)C(=O)NC3=C(C=CC(=C3)Br)O 1 3.766 2 3 -1.67001351877196 15998067 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCN3C(CCCC3C)C)NC1=O 1 3.574 4 3 0 -17.6048700066833 15998059 CC1CC2=CC(=CC(=C2N1C(=O)C)S(=O)(=O)NCC3=CC=CC=C3)Br 1 2.851 2 3 -8.96722828798112 15998041 CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NC3=CC=C(C=C3)OC)Br 1 2.45 2 4 -7.67400670672502 15998034 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4=CC(=CC=C4)F)Cl 1 3.467 4 4 0 -15.930832207643 15998027 CC(C)C1=CC=C(C=C1)NC(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 2.095 4 3 0 -17.9049321528002 15998025 CCC1=CC=C(C=C1)NC(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.843 4 3 0 -18.4278299852309 15997982 COC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)Cl 1 3.442 2 4 -6.35433423560035 15997970 CC1CCCCC1NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)F 1 4.076 2 3 -15.4955994126009 15997943 CC1CC(CN(C1)C(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C 1 2.575 3 4 0 -20.1607673397747 15997928 CC1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=CC(=C3)OC)OC 1 1.361 3 5 0 -17.4892179835117 15997868 CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)O 1 1.873 1 4 0 11.2213985438486 15997824 CC1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CCOC 1 2.137 2 3 -10.7263835676281 15997814 COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCC3=CC(=CC=C3)Cl)OC 1 4.411 3 2 -3.99008942230084 15997813 COC1=CC=CC=C1CNC2=NC(=S)NC3=CC(=C(C=C32)OC)OC 1 3.73 3 3 -7.35450985692808 15997801 CC1CCCC(N1CCNC(=O)C2=CC=CN3C2=NC4=C(C3=O)C5=C(S4)CCCC5)C 1 3.486 4 2 -27.6126438374785 15997799 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NCC3=CC=CO3 1 0.83 2 5 0 -29.2648638756295 15997792 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NCC3=CC=C(C=C3)F 1 1.853 2 4 0 -26.3995001756217 15997757 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(=O)CC(=O)C2=CC=CC=C2OC 1 2.775 2 6 0 -5.54044050625112 15997729 C1CC(CCC1CNS(=O)(=O)C2=CC=CS2)C(=O)NCCC3=CC=CC=C3 1 3.384 2 3 -19.6153550606641 15997716 COC1=CC(=CC(=C1OC)OC)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=C(C=C4)Br 1 4.508 2 6 0 -9.49801915530399 15997703 CC1=CC(=CC=C1)N2N=C(C(=NCCC3=CC(=C(C=C3)OC)OC)N2O)[N+](=O)[O-] 1 3.407 5 5 0 -2.11049737787054 15997702 COC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 2.273 2 7 0 -5.09172320412212 15997663 COC1=CC=CC(=C1)CNC(=O)CCNS(=O)(=O)C2=CC=C(S2)Br 1 1.97 2 4 0 -16.8805808177289 15997657 CC(C)C(C(=O)NC1=CC(=C(C=C1)OC)Cl)NS(=O)(=O)C2=CC=CS2 1 3.139 2 4 -19.4215390467582 15997630 CCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 2.4 2 4 -19.5676552499562 15997618 COC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 2.879 2 4 -12.7111110337456 15997586 CCCCNC(=O)C1C(N(C(=O)C2=CC(=C(C=C12)OC)OC)C)C3=CC=CS3 1 2.971 2 4 -16.6556228662426 15997560 CCN1CCN(CC1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCC4 1 2.469 4 5 0 -12.6846456914697 15997542 CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N(C)C3=CC=CC(=C3)C(F)(F)F 1 4.218 2 3 -0.878790517492834 15997541 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=CC(=CC=C4)Cl)OC 1 3.238 4 5 0 -14.737370606845 15997536 COC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.282 2 3 -10.5981021741326 15997511 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CC(C(=O)O)N 1 0.433 2 3 0 -8.67514636420925 15997480 C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 4.261 2 2 -4.27290409728522 15997479 CCC(=O)N/C(=N/C1=NC2=CC=CC=C2O1)/N 1 1.519 4 2 0 -0.568221668020486 15997421 CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-] 1 3.027 3 6 0 -9.94775573469385 15997409 CC1=C(C=C(C=C1)S(=O)(=O)NCCNC(=O)C)[N+](=O)[O-] 1 0.314 3 5 0 -13.1230031535509 15997391 CC1CC(CN(C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=CC=C3)C 1 2.237 3 3 -18.7093260708477 15997324 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=O 1 1.975 4 4 0 -13.2678830635531 15997305 CCOCCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 1.17 4 4 0 -22.7821935160964 15997297 COC1=CC=C(C=C1)CNC2=NC(=S)NC3=CC(=C(C=C32)OC)OC 1 3.73 3 3 -6.2171894814302 15997290 C1CCC2=C(C1)C3=C(S2)N=C4C(=CC=CN4C3=O)C(=O)NCCN5CCOCC5 1 1.502 4 3 0 -25.9953822755518 15997273 CN(C1=C(C=C(C=C1)OC)OC)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CC4 1 2.649 2 5 0 -21.6148044515837 15997231 CC1=CC=C(C=C1)CN=C2C(=NN(N2O)C3=CC=CC(=C3)C)[N+](=O)[O-] 1 3.604 5 3 0 1.63829896156718 15997213 CCN1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4F 1 3.023 5 3 0 -2.29149578670017 15997179 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)S(=O)(=O)C2=CC=CS2 1 2.017 2 4 -10.7717458862612 15997153 COC1=CC(=CC(=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C)OC 1 1.767 2 5 0 -13.1930121405212 15997095 CN(C1=CC=CC=C1)C(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4 1 3.281 2 4 -2.19526290861492 15997090 C1CCCN(CC1)C(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl 1 3.974 2 2 -0.696974655554915 15997078 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4=CC=CC=C4OC 1 2.491 2 6 0 -15.0119441181639 15997075 CCOCCCNC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCOCC3)C 1 1.204 2 6 0 -17.708991636396 15997043 CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N(C)CC3=CC=CC=C3)C4=CN=CC=C4 1 2.434 3 4 0 -9.35310277960463 15997008 COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC=C(C=C3)OC)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.569 4 4 0 -6.95482604822012 15997001 CC1CC(CN(C1)C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O)C 1 1.085 4 3 0 -22.3689921444181 15996937 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NCC4=CN=CC=C4 1 -0.319 4 5 0 -32.045058578735 15996910 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NCC4=CC=C(C=C4)C 1 2.799 3 4 0 -30.285474710241 15996885 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 1 4.27 4 5 0 -5.58972016869219 15996839 CC1=C(C=C(C=C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-])F 1 3.103 5 5 0 3.39858743316872 15996835 CC1=CC=C(C=C1)CCNC2=NC(=S)NC3=CC(=C(C=C32)OC)OC 1 4.554 3 2 -4.75300712542505 15996831 COC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC5=CC=CC=C5C4 1 4.524 3 2 -7.80698842826066 15996817 COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 1.949 3 4 0 -12.7446231415743 15996815 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(O2)N=C4C=C(C=CC4=C3)OC 1 2.884 2 5 0 -4.45624345616494 15996804 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N(C)C3=C(C=CC(=C3)C)C 1 3.274 2 3 -15.6516210405045 15996752 CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CS3)C(=O)OCCOC 1 2.843 1 4 -15.9108121221783 15996742 CN(CC(=O)NCC1=CC=C(C=C1)F)S(=O)(=O)C2=CC=C(S2)Br 1 2.15 2 3 -12.030515623644 15996712 C1CC1(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.249 2 5 0 -8.20361277620178 15996704 CC1CCN(CC1)C(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)F)SC=C3 1 3.146 3 3 -15.6273520614171 15996686 CC1=CC=C(C=C1)CNC(=O)CNS(=O)(=O)C2=CC=C(S2)Br 1 2.225 2 3 -14.2414500604858 15996672 COC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43)OC 1 1.74 4 6 0 -13.1126699187001 15996666 CN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.986 4 4 0 -14.7674650809519 15996656 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC)NC1=O 1 3.582 4 4 0 -9.04431840152599 15996641 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 3.221 2 4 -8.21764398263057 15996637 CC(C)OCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3 1 3.782 2 2 -15.695469869575 15996593 CC1=CC(=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32)Br 1 3.045 3 4 0 -12.4121125645273 15996589 CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N(C)C3=CC=C(C=C3)Cl 1 3.94 2 3 -2.5488969637559 15996564 CC1CCCCN1C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.824 4 3 0 -22.8247025281016 15996528 COC1=CC(=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CS4)OC 1 2.132 2 6 0 -22.3396068374752 15996520 CCOC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)N4CCOCC4)C 1 1.591 4 5 0 -26.638701587901 15996498 CC1=CC(=C(C=C1)NC2=C(C=CC3=NON=C32)[N+](=O)[O-])C 1 3.816 4 3 0 -0.268011152295637 15996463 COC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 1.756 3 5 0 -18.4024183735751 15996456 CCOC1=CC=CC=C1NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 3.236 2 5 0 -5.66868878389944 15996450 CCOCCCNC1=C(C=C(C=C1)N2C(=O)CCCC2=O)[N+](=O)[O-] 1 1.429 3 5 0 -14.7975533701749 15996447 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-] 1 4.105 4 4 0 -3.67680992398405 15996434 CCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)SC4=C1C=C(C=C4)C 1 3.883 3 2 -11.8181188014376 15996424 C1CC(=O)N(N=C1C2=CC=C(C=C2)Cl)CC(=O)NCC3=CC=CS3 1 2.302 3 2 -14.5992034640669 15996310 CC(C)OCCCNC(=O)C1=CC2=C(O1)N=C3C=CC(=CC3=C2)OC 1 2.659 2 4 -7.39455758320959 15996304 CC1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.197 4 3 0 -16.0075649092596 15996290 CCCN(CCC)C(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCC3)C 1 2.263 3 4 0 -21.2907534025563 15996209 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NC4CCCCC4)OC 1 3.438 3 5 0 -14.4537475567432 15996204 COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.764 4 5 0 -16.8470930871266 15996185 CCC(C)NC(=O)CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C)N3CC(CC(C3)C)C 1 3.933 4 2 -20.7036022302309 15996130 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F)NC1=O 1 1.888 4 4 0 -7.63896293029643 15996113 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C=C(C=C3)OC)OC 1 3.257 2 5 0 -7.3410480927402 15996111 CCOCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Br 1 3.973 2 2 -13.3747363924883 15996069 CC1=CC=C(C=C1)C(=O)N2C3C(C(N2)C4=CC=C(C=C4)F)C(=O)N(C3=O)C5=CC=CC=C5OC 1 3.465 3 4 0 -1.09106722346389 15996061 CSC1=CC=CC(=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 2.352 3 4 0 -9.55033008844069 15996038 CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=C(C=C4)OC)OC)F 1 5.162 3 4 0 -9.93323170160603 15996024 C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NCCC(=O)NC3=CC=C(C=C3)F 1 1.106 4 3 0 -17.4765148239866 15996022 C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.513 4 5 0 -20.546324964486 15996002 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)C3=CC(=C(C=C3)O)O 1 1.659 2 6 0 -11.5332539899725 15996001 CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC3=CC=CC=C3OC 1 3.746 2 4 -18.1475619084299 15995984 CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)N3C(=O)CCC3=O)[N+](=O)[O-] 1 2.767 3 5 0 -9.10386308725239 15995982 COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)N4C(=O)CCC4=O)[N+](=O)[O-] 1 2.659 4 5 0 -8.39886072653701 15995959 CC1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=C(C=C(C=C3)OC)OC 1 1.496 3 5 0 -19.8338231054784 15995929 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)[N+](=O)[O-] 1 2.37 3 4 0 -14.283021713487 15995912 C1CCN(C1)C(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)[N+](=O)[O-] 1 1.64 4 4 0 -9.87558348568577 15995903 C1CCC(=CC1)CCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 3.49 2 4 -8.80099577330832 15995879 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)N3CCN(CC3)C)CC=C 1 1.329 4 4 0 -19.1294949199185 15995854 CC1=CC(=C(C=C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-])Cl 1 3.562 5 5 0 5.16031455234067 15995762 CC1=CC(=CC=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=C(C(=C4)OC)OC)OC 1 4.573 2 5 0 -4.72005561866676 15995761 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NCC4CCCO4 1 1.955 3 5 0 -17.5571002080664 15995753 CC1=CC(=C(C=C1)NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)OC)Cl 1 3.545 1 4 1.23624634322152 15995741 CCOC1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC4=CC(=CC=C4)[N+](=O)[O-] 1 4.316 3 5 0 -10.0113216414649 15995722 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 1.988 3 4 0 -15.08782640676 15995717 CC1=CC2=C(C=C1)OCC(=O)N2CCC(=O)NCCCN3CCCC3 1 1.282 3 3 0 -13.7425908157024 15995691 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC 1 1.56 4 7 0 -13.1909658891183 15995680 COC1=CC(=C(C=C1NC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O)Cl)OC 1 1.26 3 5 0 -19.0285464241604 15995654 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCNS(=O)(=O)C3=CC=CS3 1 2.534 3 3 -16.4575966855963 15995640 CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=C(C=C4)OC)OC 1 3.323 2 7 0 -12.4717857720598 15995598 CC1=CSC(=N1)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C 1 2.777 4 2 -7.4852962762747 15995523 CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)O)Cl 1 1.243 2 6 0 -17.5112367512379 15995490 CCOC1=CC=CC=C1C2NC(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4O 1 4.836 2 3 9.66519943473311 15995483 CC1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=C(C=CC(=C3)OC)OC 1 1.496 3 5 0 -19.8477609931038 15995482 CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC3=CC=C(C=C3)OC 1 3.746 2 4 -16.033304077364 15995472 CC1=CC=C(C=C1)C2=NN(C(=O)CC2)CC(=O)NCC=C 1 1.418 3 2 0 -15.7949869847718 15995454 C=CCSC1=C(C=CC=N1)C(=O)NCCC2=CC=C(C=C2)Cl 1 4.154 2 1 -12.0802594152903 15995399 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CC5=CC6=C(C=C5)OCO6 1 3.149 4 6 0 -8.644554102608 15995385 CCN(CC)CCNC(=O)C1=CC2=C(S1)N(N=C2C3=CC(=CC=C3)OC)C 1 3.486 4 2 -3.51015804182962 15995368 CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C 1 3.215 2 3 -17.0814053155175 15995339 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCCC(C3)C 1 2.174 2 4 -25.5280875562946 15995336 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.772 3 4 0 -19.7628134505314 15995320 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC(CC3)C)C(=O)N4CCCC4 1 2.036 3 4 0 -22.2418372546508 15995318 CCCCN(CC)CCNC(=O)C1=CC2=C(N1C)C3=CC=CC=C3NC2=O 1 3.209 4 2 -11.1479157985511 15995281 COC1=C(C=C(C=C1)Br)CNC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O 1 4.267 2 4 -8.67524882516337 15995263 CN(CC(=O)NC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(S2)Br 1 1.921 2 4 0 -9.33675319913906 15995232 CCOC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC(=O)NCC4CCCO4)SC5=C3CCC5 1 3.017 3 5 0 -25.2153676565807 15995228 C1CC1(C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.428 1 3 -4.38977637474754 15995203 CC1=C(C(=NN1CCCC(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-])Br 1 3.397 4 3 0 -19.553334057111 15995194 COC1=CC=CC=C1C2=CC(=NO2)C(=O)NCCCN3CCOCC3 1 1.602 3 4 0 -10.6155137919199 15995172 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)N5CCOCC5 1 3.593 5 3 0 -4.6261843022529 15995163 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.755 4 6 0 -21.6138402701128 15995159 CN(C1=CC=C(C=C1)Br)C(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.831 3 3 0 -16.9429085942059 15995157 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl)NC1=O 1 2.072 3 5 0 -12.8235968280513 15995156 COC1=CC=CC=C1N2CCN(CC2)C(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O 1 1.119 4 4 0 -17.4251936333484 15995144 C1=COC(=C1)C2=CC(=NO2)C(=O)NC3=C(C=CC(=C3)Br)O 1 3.208 2 4 1.01514698148527 15995137 CCCCN(C)CCNC(=O)C1=CN(C(=O)C2=C1C3=CC=CC=C3N2C)C 1 2.359 4 2 -10.6922434061216 15995102 C1CN(CCN1C2=CC=CC=C2F)C(=O)CNC(=O)CN3C=CC4=CC=CC=C4C3=O 1 1.093 4 3 0 -12.5930277406423 15995101 CCOC(=O)C1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCOCC4 1 -0.365 4 7 0 -30.6680305003992 15995087 CCOC(=O)C1CCN(CC1)C(=O)CNC(=O)CN2C(=CC3=CC=CC=C3C2=O)C 1 0.448 3 5 0 -18.4692378202554 15995072 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCOCC4)OC 1 0.891 4 6 0 -15.7867166225075 15995050 CC(C)C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 4.098 2 4 -2.97851424279821 15995017 CCOCCCNC(=O)CN1C(=O)CCC(=N1)C2=CC=C(C=C2)C 1 1.081 3 3 0 -18.9305859192575 15995014 CC1CC(CN(C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)C)C 1 2.402 3 3 -17.6372578903693 15995006 C1COCCN1CCCNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 -0.863 4 6 0 -30.2640977648021 15995005 C1CCCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=C(C=C3)Cl 1 2.719 3 3 -13.3078041013799 15994988 CCCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C)C3=CC(=CC=C3)Cl 1 4.133 3 1 -5.35950848572801 15994961 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S 1 5.341 5 3 0 -9.11976223880002 15994958 C1CN(CCC1NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S)CC6=CC=CC=C6 1 4.477 5 3 0 -6.55573007754721 15994945 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)N4CCN(CC4)C5=CC=CC=C5 1 1.375 4 5 0 -19.1588098581773 15994926 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC=CC=C3OC 1 1.01 3 5 0 -23.9120482440058 15994798 CC1=CC(=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC(=C(C=C2OC)OC)Cl)C 1 4.015 1 5 -2.46963159100087 15994795 C1CC1(C(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.421 1 3 -2.64261486601681 15994794 COC1=CC=CC(=C1)NC(=O)C2(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.199 1 4 -3.41075270593853 15994767 COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3C=CC(=N3)[N+](=O)[O-])C(F)(F)F 1 4.533 5 3 0 5.32950283570093 15994762 C1CCN(C1)C(=O)C2=NOC(=C2)C3=CC(=CC=C3)Cl 1 3.061 2 2 1.2346694469187 15994761 COC1=CC=CC=C1C2=CC(=NO2)C(=O)N3CCCC3 1 2.38 2 3 -4.95447929577828 15994759 CC1(CC2CC(C1)(CN2C(=O)C3=NOC(=C3)C4=CC=C(C=C4)Cl)C)C 1 4.642 2 2 -7.66842112161358 15994725 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CCOC)C 1 2.655 4 4 0 -4.93916018658562 15994653 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)S(=O)(=O)N5CCOCC5 1 0.571 5 6 0 -23.5606440093649 15994649 CC1=CC(=CC(=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4C(=O)NC5CCCCC5)CCN6CCCCC6)O3)C 1 3.19 4 4 0 -2.82914358067257 15994628 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)O 1 1.435 3 5 0 -12.4706060628186 15994573 CC1=NC(=C(N1CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br)[N+](=O)[O-] 1 2.335 4 5 0 -6.59179720143359 15994505 C1CC(=O)N(C1=O)C2=CC(=C(C=C2)NCCC3=CC=CC=C3F)[N+](=O)[O-] 1 2.803 3 4 0 -11.8228273407184 15994504 CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)N(C)CC3=CC=CC=C3)[N+](=O)[O-] 1 3.092 3 4 0 -3.86500034471579 15994429 CCCCCNC(=O)C1CCC(CC1)CN2C(=O)C3=CC=CC=C3NC2=S 1 4.878 3 2 -18.5417507930296 15994404 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)NC3CCCCCC3 1 2.431 3 4 0 -25.6337564358782 15994401 C1CCC(CC1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.353 3 4 0 -21.3857590975644 15994383 CC1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)N3CCCC3=O 1 3.01 2 2 -18.0508062895435 15994382 COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCC3=CC=CC=N3)OC 1 2.811 4 2 -6.67578947132095 15994374 CCCCNC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 3.609 2 3 -11.6755771735279 15994366 CC1=CC(=C(C=C1)OC)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 2.111 2 5 0 -24.4648754692455 15994365 CC1=CC(=CC(=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C)C 1 2.614 2 4 -22.4574027878885 15994351 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC4=C(C=C3)N(C(C4)C)C(=O)C 1 2.754 2 3 -15.1040550210062 15994349 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C(C3=O)C(=O)N4CCOCC4)C 1 0.914 3 5 0 -25.4990861731456 15994287 CC12CC(C3=C(O1)C(=CC=C3)OC)NC(=O)N2C4=CC=CC(=C4)C(=O)N5CCN(CC5)C6=CC=CC=C6OC 1 3.79 4 5 0 -8.44702664716707 15994271 C1CN(CCC1NC(=O)CCN2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)CC5=CC=CC=C5 1 3.562 4 3 0 -8.77461702163229 15994264 CC1=CC(=CC=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=C(C=C4)OC)OC 1 4.59 2 4 -5.00751876594541 15994263 CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.259 4 4 0 -9.1819164579543 15994262 C1CC1(C(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.887 1 3 -7.28142183221474 15994259 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)NCC3=CC=CC=C3Cl 1 3.709 1 3 -8.28729152128308 15994234 C1=CC(=CC=C1CNC(=O)CNS(=O)(=O)C2=CC=C(S2)Br)F 1 1.944 2 3 0 -13.5295730350206 15994215 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=CN4C3=NC5=C(C4=O)SC=C5 1 3.267 4 2 -15.1958043609676 15994190 C1CC(OC1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F 1 3.01 2 3 -11.4666484963971 15994188 CCCCNC(=O)C1=NOC(=C1)C2=CC3=C(C=C2)OCO3 1 2.827 2 4 -9.07820379432941 15994160 CC1CC2=CC(=CC(=C2N1C(=O)C)S(=O)(=O)NCC3=CC=C(C=C3)C)Br 1 3.337 2 3 -8.15241338320152 15994104 CC1=CC(=C(C=C1)OC)NC(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.37 4 4 0 -20.5846285296388 15994086 CCCOC1=C(C=C(C=C1Br)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)CC)OC 1 4.82 1 4 -13.5317434336917 15994066 COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)N5CCN(CC5)C6=CC(=CC=C6)Cl 1 4.989 5 2 0 3.03730078756467 15994031 CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C 1 2.175 5 5 0 -25.0759369351768 15994017 CC(C)CCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.937 2 3 -18.7033153840749 15994011 CC1CC(CN(C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=C(C=CC(=C3)Br)OC)C 1 2.647 3 4 0 -18.5302700539567 15993886 C1=CC=C(C=C1)CNC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4)SC=C3 1 3.149 3 3 -17.3302923983016 15993860 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCN3CCCCC3C)NC1=O 1 3.196 4 3 0 -15.9139844869998 15993710 COC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F)Cl 1 2.403 4 3 0 -3.77263338491477 15993659 CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)[N+](=O)[O-] 1 1.485 5 4 0 -9.07967152843595 15993645 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCCCCC4 1 2.348 3 4 0 -20.6022191596948 15993621 CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 1.974 2 5 0 -26.2537663812721 15993602 CCOC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=CC(=CC=C2)OC 1 2.727 1 5 -5.64920516465335 15993600 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NON=C32)C(=O)NCC4=CC=CC=C4Cl 1 2.579 4 4 0 -17.6020748235238 15993550 CN1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4 1 2.041 5 3 0 -10.7218078488797 15993533 CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)NC3=CC=CC=C3OC 1 1.126 3 4 0 -16.8486257284772 15993521 CC(C)NC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC 1 1.723 4 5 0 -23.6502617174626 15993509 CCCCCS(=NS(=O)(=O)C1=CC=C(C=C1)C)CC2CC2(Cl)Cl 1 4.677 1 2 -0.817062364700326 15993440 CCOC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.326 3 4 0 -17.6304455576004 15993431 C1CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-] 1 3.853 4 4 0 -1.9233899194087 15993426 CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.787 4 5 0 -19.9908119717953 15993418 CC1=CC=C(C=C1)C2=NN(C(=O)CC2)CC(=O)NCCOC 1 0.67 3 3 0 -16.7890618046741 15993416 CC1=CC=C(C=C1)C2=NN(C(=O)CC2)CC(=O)NCC3=CC=CS3 1 2.124 3 2 -16.4212021546537 15993370 CC(C)CC(C(=O)N1CCCC1)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 1.584 3 4 0 -28.2587141111366 15993344 CCCCN(CC)C(=O)C1=CC2=C(O1)N=C3C=C(C=CC3=C2)Cl 1 4.566 2 2 -0.427524577313187 15993327 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)NCCC3=CC=C(C=C3)C)C 1 3.577 2 3 -13.5445924106036 15993317 C1CN(C(=O)N1CC2=CC=CC=C2Cl)CC(=O)NCC3=CC=CC=N3 1 1.555 4 2 0 -16.7000887425429 15993294 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCC(CC3)CNS(=O)(=O)C4=CC=CS4)C 1 4.287 3 3 -9.86692402399624 15993283 C1=CC=C(C=C1)CCNC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC=CS4 1 3.42 2 2 -13.1346742132753 15993274 C1CCC(C1)NC(=O)C2=NOC(=C2)C3=CC(=CC=C3)Cl 1 3.796 2 2 -0.441760682254069 15993269 CC(C)CNC(=O)C1=NOC(=C1)C2=CC3=C(C=C2)OCO3 1 2.69 2 4 -7.52367511612591 15993257 COC1=CC(=C(C=C1)CNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O)OC 1 2.838 2 5 0 -11.6874789272596 15993256 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)NC3=CC(=CC=C3)OC)N4CCOCC4 1 2.375 4 4 0 -7.1012825420398 15993249 COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.536 4 6 0 -8.52129313194796 15993229 C1=CC2=NON=C2C(=C1)S(=O)(=O)CCC(=O)NC3=CC=C(C=C3)Br 1 2.558 3 4 0 -10.8637038580106 15993169 C1=CC2=C(C(=C1)[N+](=O)[O-])OC(=O)C(=C2)NC(=O)C3=CC=CS3 1 2.236 2 5 0 -8.96420012938181 15993166 C1=CC(=CC=C1C(=O)NCCNC(=O)C2=CC=NC=C2)[N+](=O)[O-] 1 0.638 4 4 0 -9.22427758976693 15993144 CC1=CC(=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5)Br 1 4.706 5 1 -2.24262183832771 15993126 C1=CC=C2C(=C1)N=C(O2)/N=C(\N)/NC(=O)C3=CC(=CC=C3)Cl 1 2.534 4 2 0.95584999447038 15993076 CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NC(C)C3=CC=CC=C3 1 4.074 1 4 -8.26034467002993 15993019 COC1=CC=CC=C1CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.457 4 4 0 -19.2003693884858 15992940 C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)C(=O)NC4=CC=C(C=C4)Br 1 3.823 2 4 -3.07413493339561 15992909 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CNC(=O)CN3C=CC4=CC=CC=C4C3=O 1 1.093 4 3 0 -12.2859490646787 15992898 COCCCNC(=O)C1CCC(=O)N(C1C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)OCO4 1 2.061 2 6 0 -14.9784680240382 15992876 CN1CCN(CC1)C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 -0.513 5 3 0 -17.6763440434618 15992859 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)N=CC3C(=O)CCCC3=O 1 3.27 1 5 -2.78390244819763 15992808 CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4F 1 5.05 3 0 2.96588213710598 15992761 CC1CC(CN(C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)C 1 2.204 3 5 0 -22.3055921035813 15992677 C1CN(CCC1C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CN=CC=C3 1 1.265 3 3 0 -20.1235058547744 15992673 COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3CC3 1 1.377 3 3 0 -8.9564401524053 15992666 CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCOCC4 1 2.404 4 6 0 -10.4471516913503 15992658 CN(CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)S(=O)(=O)C2=CC=C(S2)Br 1 0.971 3 5 0 -16.2006503436967 15992647 CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4CCCO4 1 2.457 3 4 0 -11.7101302504619 15992630 CCOC1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NC4CCCCC4 1 3.757 3 4 0 -15.4810316009492 15992624 CC1=C(C(=NN1)SCC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-] 1 2.359 4 3 0 -13.0550840529539 15992623 CC1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NC4CCCC4 1 3.454 3 3 -13.947373725929 15992621 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=NOC(=C3)C4=CC(=CC=C4)Cl 1 4.435 3 2 5.86205548663547 15992620 C1CCC(CC1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)F 1 3.794 2 2 -3.48352644984925 15992615 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NCCN3CCOCC3)OC 1 1.524 3 5 0 -11.6058418334102 15992585 CC1CC2=CC(=CC(=C2N1C(=O)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)Br 1 3.308 3 3 -13.2328422349961 15992581 COC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC 1 3.668 3 4 0 -9.49679354852719 15992570 CN(C1=CC=C(C=C1)Cl)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC 1 3.444 4 5 0 -14.6101222774658 15992560 CCC1CCCCN1C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.348 4 3 0 -24.6893102066771 15992466 C1=CC=C(C(=C1)NC(=O)C2=CC(=CN=C2)Br)[N+](=O)[O-] 1 2.106 3 3 -6.35273628990981 15992460 C1CCC(C1)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)F 1 3.3 2 3 -12.6883353359961 15992452 COCCNC1=C(C=C(C=C1)N2C(=O)CCCC2=O)[N+](=O)[O-] 1 1.018 3 5 0 -13.4103029008337 15992445 CCCCNC(=O)CCN1C(=O)CCC(=N1)C2=CC=CC=C2 1 1.891 3 2 0 -18.2858497032855 15992422 CC1CCCCC1NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.891 2 3 -15.1989516853799 15992395 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)N4CCC5=CC=CC=C5C4 1 1.403 3 5 0 -26.5983516187293 15992390 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCC(=O)NCC3=CC=CC=C3Cl 1 1.449 3 4 0 -24.7091458366908 15992383 CCC(C)NC(=O)CN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=C3 1 2.816 3 2 -10.0222002627181 15992373 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC=CC(=N3)C 1 1.979 3 4 0 -23.4538564124363 15992311 CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=NOC(=C3)C4=CC=CO4)C 1 3.849 4 3 0 -7.38946505820948 15992306 CC1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 3.081 1 3 -13.9493239451905 15992301 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NCCCN3CCCC3 1 2.041 3 3 -11.0250051655351 15992264 CC1CCCN(C1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 2.456 4 4 0 -14.8898236621629 15992260 CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N(C)C3=C(C=C(C=C3)OC)OC 1 3.243 2 5 0 -6.10571852485602 15992254 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4CCCCC4)OC 1 2.855 4 5 0 -15.4587901189939 15992220 CC(=O)N/C(=N/C1=NC(=O)C2=CC=CC=C2S1)/N 1 1.649 4 2 0 -3.62601252724105 15992206 CC(C)C(C(=O)NC1=CC2=C(C=C1)OCCOCCOCCOCCO2)N3C(=O)C4=CC=CC=C4C3=O 1 2.219 2 8 0 -17.4623262818243 15992142 C1C(OC2=CC=CC=C2O1)CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.098 2 6 0 -6.73948514107501 15992133 CC1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)F 1 1.734 3 3 0 -17.9502905234932 15992129 CC1CC(CN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C(=O)C3=CC=CC=C3NC(=O)C)C 1 2.59 3 4 0 -18.3357282270546 15992083 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3 1 2.549 2 5 0 -13.3924580447884 15992075 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3CCCCC3 1 2.59 2 4 -27.1822238242645 15992065 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NCCC3=CC=CC=C3 1 1.969 2 4 0 -27.3346385940008 15992063 C1CC1C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5 1 2.735 3 3 -24.1010949722543 15992047 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)OC 1 2.775 2 6 0 -2.72280674453382 15991975 C1COCCN1C2=CC=C(C=C2)C3=C(N4C=CN=CC4=N3)NC5=CC6=C(C=C5)OCCO6 1 3.091 5 3 0 -0.948572638649077 15991974 CCOC1=CC=CC=C1NC(=O)C(C(C)C)NC(=O)C2CCC(CC2)C 1 4.047 2 3 -23.8731003949482 15991966 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC3CCCC3)N4CCN(CC4)C 1 4.033 4 1 -4.80823064295411 15991836 CCCCNC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.328 3 4 0 -26.0138802560102 15991770 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC3=CC=CC=C3 1 2.424 2 3 -12.9722155593579 15991747 CC1=CC(=CC(=C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-])C 1 3.383 5 5 0 1.4036474122671 15991726 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)OC 1 3.156 3 5 0 -8.73862533601782 15991680 CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)NCCOC 1 2.008 2 3 -25.6821867456451 15991650 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCCCCC4)OC 1 2.576 4 5 0 -18.1697982191225 15991647 CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N(C)C3=C(C=CC(=C3)Cl)OC 1 2.498 2 5 0 -10.4419942433945 15991637 COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3F 1 1.792 3 4 0 -19.9942871090622 15991474 CCCCN1C2=C(C=C(C=C2)F)C3=C1N=C(N=N3)SCCN4CCCCC4 1 5.563 5 0 -7.54495278093054 15991472 CCCN1C2=C(C=C(C=C2)F)C3=C1N=C(N=N3)SCCN4CCCCC4 1 5.107 5 0 -4.606598950161 15991471 COC1=CC=C(C=C1)S(=O)(=O)NC2(C(=O)N(C(=O)N2)CCC3=CC(=C(C=C3)OC)OC)C(F)(F)F 1 2.859 3 7 0 -8.08317084761922 15991469 CC1=CC=C(C=C1)S(=O)(=O)NC2(C(=O)N(C(=O)N2)C3=CC=C(C=C3)F)C(F)(F)F 1 3.272 3 4 0 -3.61776542060443 15991467 C1=CC=C(C=C1)CCN2C(=O)C(NC2=O)(C(F)(F)F)NS(=O)(=O)C3=CC=CC=C3 1 2.909 3 4 0 -5.43175255593534 15991464 C1=CC=C(C=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NS(=O)(=O)C3=CC=CC=C3 1 2.581 3 4 0 -5.50121307643348 15991460 COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCOCC4 1 2.764 4 3 0 -10.3056688760045 15991457 CC1CCN(CC1)C2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)NC(=O)C 1 3.382 5 2 0 -13.1612436430726 15991455 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCCC4 1 3.13 5 2 0 -11.7528454490637 15991445 CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCOCC4 1 3.266 4 2 -10.1520138350232 15991443 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCOCC4 1 3.752 4 2 -11.9306555187183 15991440 COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCOCC4)OC 1 2.747 4 4 0 -14.7206921392043 15991435 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCOCC4 1 3.112 4 3 0 -11.3312031958754 15991426 CCOC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCOCC4 1 3.112 4 3 0 -14.6453923284709 15991418 COC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCCC4 1 3.993 4 2 -8.97589392145459 15991377 COC1=CC=C(C=C1)S(=O)(=O)NC2(C(=O)N(C(=O)N2)CCC3=CC=CC=C3)C(F)(F)F 1 2.892 3 5 0 -4.65567766379508 15991301 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OC)O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.527 4 4 0 -9.77537655469975 15991300 CCOC1=CC=CC(=C1OC)C(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 4.102 4 4 0 -14.4518421515312 15991273 CCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3 1 2.69 5 2 0 -9.50581760242875 15991179 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSCC2=CC=CC=C2)C3=CC=CC=C3OC 1 4.25 2 4 -22.125378531591 15991176 CCCCCC(=O)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC=N3)C 1 3.967 3 2 -4.10621353748215 15991171 CCCCC(=O)NC1=CC=CC(=C1C)C2=NC3=C(O2)C=CC=N3 1 3.511 3 2 -2.80384681317262 15991135 CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC 1 4.464 2 4 -7.54647368631976 15991134 COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 3.977 2 4 -8.51053425084151 15991127 CCN(C1=CC(=CC=C1)Cl)C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 2.119 4 3 0 -19.621988644111 15991126 CCCN(C1=CC=CC(=C1)C)C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 2.465 4 3 0 -20.4297953811513 15991122 CN(C1=CC=CC=C1F)C(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.312 4 3 0 -21.0341702998574 15991089 COC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)F)NC(=O)C3=CC4=CC=CC=C4O3 1 4.183 2 4 -6.95917270377683 15991005 CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)OC)S(=O)(=O)C3=C(ON=C3C)C 1 2.518 3 5 0 -18.0189973997996 15990987 CCCN1CCN(CC1)CCCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4NC3=O 1 2.786 4 2 -13.4102118740238 15990985 CC1=CC=C(C=C1)N(CC(=O)NCCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(ON=C3C)C 1 3.52 3 4 0 -15.1924789882029 15990974 CCCCN(CC)CCCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3NC2=O 1 3.634 3 2 -15.3783258738359 15990950 CC1=C(C(=NN1C)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=CC(=C3)OC)OC 1 1.384 4 5 0 -10.6938403056219 15990936 COC1=CC(=C(C=C1)OC)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCCCC4 1 3.607 2 4 -10.5113059368622 15990935 COC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCCC4 1 4.062 3 2 -4.97549959909812 15990934 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCCCC4 1 3.591 2 5 0 -12.9613315063809 15990932 C1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NC4=CC(=CC=C4)F 1 3.845 2 2 -6.57306677467445 15990920 CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)Br 1 1.959 4 3 0 -9.39766733736027 15990915 CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)OC)OC 1 1.178 4 5 0 -15.0931250318786 15990913 CC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C 1 1.707 3 4 0 -9.828684230975 15990851 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N(C)C3=CC=C(C=C3)OC 1 2.498 2 5 0 -23.5925727110894 15990848 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.772 3 4 0 -20.094228526104 15990842 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NCC3=CC(=CC=C3)OC 1 2.298 2 5 0 -29.6100310664163 15990832 CC1=CC(=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CC=C3Cl)N)C 1 2.883 6 2 0 -22.8212746003295 15990830 CC1=CC(=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=C(C=C3)OC)N)C 1 2.202 6 3 0 -21.8706013789901 15990825 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NCC3=CC=CC=C3OC 1 2.298 2 5 0 -31.5756898516551 15990823 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C 1 2.307 3 5 0 -24.1893730067934 15990813 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NCC3=CC=C(C=C3)C 1 2.801 2 4 -29.048465811445 15990811 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NCC3=CC=C(C=C3)OC 1 2.298 2 5 0 -29.4614320205892 15990810 CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCCCN4CCOCC4)SC5=CC=CC=C5C2=O 1 4.121 3 4 0 -7.55540874110142 15990807 CC1=CC(=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CO3)N)C 1 1.401 6 3 0 -23.6111218443885 15990797 COC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N 1 1.663 6 5 0 -23.2851524004134 15990791 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl 1 3.231 3 4 0 -18.6526917854099 15990788 COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCCC4)OC 1 4.045 3 3 -5.98388806293313 15990781 CCN(CC1=CC=CC=C1)C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 2.203 2 4 -28.4031930579729 15990779 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.105 3 4 0 -19.0971296702374 15990773 CCC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CO3)N 1 1.371 6 3 0 -23.4617959813376 15990771 CCC1=CC=CC=C1NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N 1 1.929 6 2 0 -26.1348189132417 15990743 CCOC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N 1 1.319 6 3 0 -25.0963123740452 15990739 CCOC1=CC=CC=C1NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N 1 1.319 6 3 0 -28.3394827361531 15990738 CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N(C)C4=C(C=C(C=C4)OC)OC 1 4.526 1 5 -7.07108203645084 15990733 CC1=CC(=CC=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CO3)N 1 0.914 6 3 0 -21.4321065187541 15990731 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=C(C=C(C=C3)OC)OC)C 1 2.653 2 6 0 -26.3229873476216 15990714 CC1=CC=CC=C1NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CO3)N 1 0.914 6 3 0 -25.8844448480756 15990712 COC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N 1 1.551 6 3 0 -21.5717347247351 15990710 COC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N 1 0.97 6 3 0 -24.3300892223372 15990708 COC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N 1 0.998 6 5 0 -23.1770913173852 15990706 COC1=CC=CC=C1NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N 1 0.97 6 3 0 -27.5462319872731 15990704 COC1=CC=CC=C1NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N 1 0.998 6 5 0 -26.2958398557963 15990673 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)NCCC3=CC=CC=C3)C 1 3.091 2 3 -14.3594073153832 15990666 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4Cl)C 1 3.686 3 3 -19.6627360869618 15990660 CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C4=CC=CO4)C5=CC=C(C=C5)OC 1 4.492 4 3 0 -2.51911483238785 15990652 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3Cl 1 2.767 2 3 -12.706507772381 15990614 CCCCN(CC)CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 2.571 5 3 0 -18.9454295142861 15990613 CCCN(CCC)CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 2.701 5 3 0 -20.1081554097924 15990611 COC(=O)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 0.462 4 5 0 -19.8415373716955 15990607 CC1=CC=CC=C1N2C3=C(C=N2)C(=O)N(C(=N3)C4=CC=CO4)C5=CC=C(C=C5)OC 1 4.492 4 3 0 -6.35997650080875 15990602 COCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)F)F 1 1.149 3 5 0 -16.7508545200485 15990546 CCCC1=NC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)OCC)SC4=CC=CC=C41 1 4.908 2 3 -10.3284032996829 15990535 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3CCN(CC3)S(=O)(=O)C4=C(ON=C4C)C 1 2.208 4 4 0 -17.5038587389653 15990534 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)Br 1 1.834 3 4 0 -9.56813440262278 15990532 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=C(ON=C4C)C)C 1 2.317 4 4 0 -8.44350215779958 15990507 CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C)Br 1 2.32 3 4 0 -9.97365199779724 15990412 COC1=CC=CC(=C1)NC(=O)CCC2=NC(=NO2)C3=CC=CS3 1 2.418 3 3 -11.1926188945795 15990343 CC1=C(C(=CC=C1)C)NC2=C(N=C3N2C=CC=N3)C4=CC=CC=C4O 1 4.952 4 1 1.70298039390867 15990311 CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2C 1 4.512 2 1 -4.64345633222868 15990293 CC1=C(C=CC(=C1)F)NS(=O)(=O)C2=C(N=C3N(C2=O)C(=CS3)C)C 1 1.792 3 3 0 -11.4594364837283 15990291 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C 1 2.301 4 3 0 -10.8972404228082 15990282 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=C(N=C4N(C3=O)C(=CS4)C)C)C 1 2.332 4 3 0 -13.4049742026005 15990274 CC1=C(C(=O)N2C(=N1)N=C(N2)C)NS(=O)(=O)C3=CC=C(C=C3)CC(C)C 1 1.004 5 3 0 -3.96460677398458 15990272 CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)CC(C)C)C 1 2.773 5 3 0 -4.09717039213229 15990263 CCOC1=C(C=C(C=C1)CCNS(=O)(=O)C2=C(N=C3N(C2=O)C(=CS3)C)C)OCC 1 2.093 3 5 0 -18.391025146919 15990255 CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=C(N=C4N(C3=O)C(=CS4)C)C 1 2.223 4 3 0 -22.6962470887866 15990245 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C=C3C(=C2)N(C(=O)N3C)C)N4CCOCC4 1 2.736 4 6 0 -18.4387061600839 15990222 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)NC3=CC=C(C=C3)N4CCN(CC4)S(=O)(=O)C 1 -0.244 5 5 0 -21.1792507654969 15990210 CCOC(=O)C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)NC(=O)C4=CC(=C(C=C4)OC)OC 1 2.695 4 6 0 -17.0669399341207 15990182 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)NC3=CC(=C(C=C3)N4CCOCC4)Cl 1 1.101 4 4 0 -11.4146378768917 15990180 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C(C)C 1 1.095 5 4 0 -17.2315779218126 15990152 CCOC(=O)C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)NC(=O)C4=CC=C(C=C4)Cl 1 3.392 4 4 0 -10.2051759383409 15990150 CCOC(=O)C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)NC(=O)C4=CC=CC=C4Cl 1 3.392 4 4 0 -12.2722487185985 15990134 CCC1=NN=C2N1C3=CC=CC=C3N=C2NCCC4=CC(=C(C=C4)OC)OC 1 3.61 5 2 0 -8.97059178750774 15990109 CC1=CC(=C(C=C1)OC)NC2=NC3=CC(=C(C=C3C(=N2)N)OC)OC 1 3.051 4 3 0 -0.233719359597485 15990100 CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)F)C 1 1.329 5 3 0 -7.26405815089076 15990089 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)OC)OC)N(C1=O)C 1 1.559 3 5 0 -10.5811931654561 15990080 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NC3=CC=C(C=C3)N4CCOCC4)C 1 0.95 4 4 0 -11.568563887759 15990078 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NC3=CC=C(C=C3)N4CCN(CC4)S(=O)(=O)C)C 1 0.27 5 5 0 -19.6287579040963 15990076 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NC3=CC(=C(C=C3)N4CCOCC4)Cl)C 1 1.615 4 4 0 -9.86414501549105 15990073 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.147 3 5 0 -11.9593970696699 15990071 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)OC)N(C1=O)C 1 2.24 3 4 0 -8.81600951072279 15990067 CCC1=NN2C(=O)C(=C(N=C2S1)C)S(=O)(=O)NC3=CC=C(C=C3)C(C)C 1 3.067 4 3 0 -12.8322044718992 15990065 CCC1=CC(=CC=C1)NS(=O)(=O)C2=C(N=C3N(C2=O)N=C(S3)CC)C 1 2.815 4 3 0 -11.9877814980942 15990063 CCC1=NN2C(=O)C(=C(N=C2S1)C)S(=O)(=O)NC3=CC=C(C=C3)OCC 1 2.205 4 4 0 -14.0765542261958 15990061 CCC1=CC=C(C=C1)NS(=O)(=O)C2=C(N=C3N(C2=O)N=C(S3)CC)C 1 2.815 4 3 0 -13.0563511664497 15990059 CCC1=NN2C(=O)C(=C(N=C2S1)C)S(=O)(=O)NC3=CC=C(C=C3)Cl 1 2.537 4 3 0 -11.293665477964 15990058 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C(C)C)C 1 1.609 5 4 0 -15.681085060412 15990041 CCC1=NN2C(=O)C(=C(N=C2S1)C)S(=O)(=O)NC3=CC(=CC=C3)F 1 2.078 4 3 0 -11.3448721528882 15990021 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NCC3=CC=CC=C3OC)C 1 1.091 3 4 0 -14.4313266054636 15990018 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C 1 1.343 4 4 0 -16.9026579076357 15990017 CC1=C(C(=O)N2C(=N1)N=C(N2)C)NS(=O)(=O)C3=CC=C(C=C3)OC 1 -0.663 5 4 0 -8.25633776735245 15990015 CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(N=C3N=C(NN3C2=O)C)C)C 1 0.326 5 3 0 -6.5866082353668 15989998 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NCC3=CC=CC=C3Cl)C 1 1.772 3 3 0 -13.2677419957371 15989995 CC1=C(C=C(C=C1)NC2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)C 1 3.554 4 2 0.8685837530066 15989994 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NCC3=CC(=CC=C3)OC)C 1 1.091 3 4 0 -11.6666767810148 15989993 CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC(=C(C=C3C(=N2)N)OC)OC 1 2.786 4 4 0 -4.80644504410625 15989943 CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNS(=O)(=O)C3=CC=C(C=C3)OC)C 1 2.984 2 4 -6.06591944948719 15989927 CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNS(=O)(=O)C3=C(C=C(C=C3C)C)C)C 1 4.459 2 3 -4.61985118979014 15989908 CCOC(=O)CSC1=NC2=CC=CC=C2N3C1=NN=C3C 1 2.332 4 2 -15.5353619248161 15989829 CC1=CC=C(C=C1)CNC(=O)C2=NN=C(O2)CC3=CC=C(C=C3)Cl 1 3.512 3 2 -8.85866719614258 15989804 CC1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.394 4 4 0 -7.42495232733763 15989799 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NON=C32)C(=O)NC4=CC(=C(C=C4)F)F 1 2.319 4 4 0 -8.05299155760939 15989763 COC1=C(C=C(C=C1)Cl)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3F 1 3.334 3 3 -9.95749900783281 15989759 CC1=CC2=C(C=C1)N=C(C3=NN=CN23)NCC4=CC=C(C=C4)F 1 3.391 5 0 1.93435215320795 15989758 COC1=CC=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.892 4 5 0 -9.36885869512324 15989757 CC1=CC2=C(C=C1)N=C(C3=NN=CN23)NCCC4=CC=CC=C4 1 3.506 5 0 1.70805154764817 15989752 CC1=CC2=C(C=C1)N=C(C3=NN=CN23)NCCC4=CC=C(C=C4)Cl 1 4.171 5 0 4.34486514301459 15989750 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)OC)Cl 1 0.363 4 6 0 -19.1678380118 15989748 CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 0.657 4 5 0 -18.5724612901628 15989726 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)OC)OC 1 -0.318 4 7 0 -23.6631419034166 15989715 CC1=CC=CC=C1NC2=C(N=C3N2C=CC=N3)C4=CC=C(C=C4)N5CCOCC5 1 4.557 5 1 0.404785446881401 15989714 COC1=CC=CC=C1NC(=O)NCCN2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.362 4 2 -3.07181783622322 15989709 C1CN(CCN1CCNC(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)Cl 1 3.378 4 1 1.43048159788777 15989692 CCOC1=CC=C(C=C1)NC(=O)NCCN2CCN(CC2)C3=CC=CC(=C3C)C 1 4.019 4 2 -0.624240457376535 15989668 CCOC1=CC=C(C=C1)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3F 1 3.252 4 2 -3.32404320108735 15989627 CC1=CC=CC=C1NC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=NC=C4 1 4.606 4 0 2.67087170401766 15989593 COC1=CC(=C(C=C1)OC)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=CS2 1 1.942 2 5 0 -22.8353427325009 15989583 COC1=C(C=C(C=C1)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CS3)OC 1 3.023 2 5 0 -16.5238009826657 15989579 COC1=CC(=CC(=C1)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CC4CCCO4)OC)OC)OC 1 1.906 3 8 0 -20.2532697716998 15989577 COC1=CC(=C(C=C1)OC)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CC4CCCO4)OC)OC 1 1.906 3 8 0 -19.1867916679366 15989564 COC1=C(C=C(C=C1)Cl)NC(=O)NCC2CCN(CC2)CC3=CC=CC=C3F 1 4.072 3 2 -4.17816447420944 15989563 C1CN(CCC1CNC(=O)NC2=C(C=C(C=C2)F)F)CC3=CC=CC=C3F 1 3.835 3 1 -4.07244520358049 15989558 CC1=CC(=C(C=C1)C)CN2CCC(CC2)CNC(=O)NC3=C(C=C(C=C3)Br)F 1 5.145 3 1 -0.257559343917848 15989542 CC1=CC=C(C=C1)CN2CCC(CC2)CNC(=O)NC3=CC(=C(C(=C3)OC)OC)OC 1 3.655 3 4 0 -5.73604748512232 15989540 CC1=CC(=C(C=C1)C)CN2CCC(CC2)CNC(=O)NC3=CC(=CC(=C3)C)C 1 5.163 3 1 -1.6258767171214 15989538 COC1=CC(=CC(=C1OC)OC)NC(=O)NCC2CCN(CC2)CC3=CC=CC=C3Cl 1 3.833 3 4 0 -6.63698992661676 15989536 COC1=CC(=CC(=C1OC)OC)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3 1 2.665 4 4 0 -8.00039458214694 15989534 C1CN(CCN1CCNC(=O)NC2=CC=CC=C2Br)C3=CC=CC=C3 1 3.462 4 1 -5.75526123673957 15989532 C1CN(CCN1CCNC(=O)NC2=CC(=CC=C2)Br)C3=CC=CC=C3 1 3.462 4 1 -1.61804606993093 15989515 CC1=C(C=C(C=C1)Cl)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.766 4 2 -13.8010896293914 15989508 CC1=C(C=C(C=C1)NC(=O)NCC2CCN(CC2)CC3=CC(=CC=C3)Cl)Cl 1 5.033 3 1 0.758488857538228 15989506 CCC1=CC=CC=C1NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.558 4 2 -16.3262099084688 15989491 CC1=C(C(=CC=C1)C)NC(=O)NCCCN2CCN(CC2)C3=CC=CC=C3 1 3.749 4 1 -5.02844088485681 15989485 CC1=NC(=CC=C1)NC(=O)NC2=CC=C(C=C2)Br 1 2.942 3 1 -1.53453927647332 15989470 COCCNC(=O)CN1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=C(C=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC 1 2.568 4 7 0 -22.9180379347521 15989410 CCC1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3 1 3.067 2 3 -8.73336090289443 15989383 C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.444 4 4 0 -14.6121281873957 15989382 CC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)CC(=O)NCC5CCCO5 1 3.277 4 5 0 -22.8611194349092 15989381 CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.243 4 5 0 -10.940228294706 15989380 CC1=CC(=C(C(=C1)C)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)CC(=O)NCC5CCCO5)C 1 4.249 4 5 0 -21.3531292050781 15989373 CC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.259 4 4 0 -11.2060786170361 15989356 CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.266 4 4 0 -16.4341268779825 15989289 CC1=CC(=C(C=C1)C)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)CC(=O)NCC5CCCO5 1 3.763 4 5 0 -21.9066553455996 15989285 CCC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)CC(=O)NCC5CCCO5 1 3.733 4 5 0 -22.4167283324408 15989267 COC1=CC(=CC(=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4CCCO4)OC 1 1.938 3 6 0 -16.7869009828543 15989265 CCOC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4CCCO4 1 2.304 3 5 0 -14.6795709381184 15989258 COC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4CCCO4)OC 1 1.938 3 6 0 -18.0690598814473 15989221 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4OC 1 3.156 3 5 0 -12.026349136998 15989071 COCCNC(=O)CN1C2=C(C(=O)N(C1=O)CCCCCC(=O)NCC3=CC4=C(C=C3)OCO4)SC=C2 1 1.752 4 7 0 -28.9819468956178 15989067 COC1=CC(=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCCC4=CC=CC=C4)OC 1 3.648 2 4 -12.0890334005947 15989063 COC1=CC(=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NC4CCCCCC4)OC 1 4.057 2 4 -11.1357056792755 15989061 CC(C)OCCCNC(=O)C1=CN(C(=O)C2=C1C3=CC=CC=C3N2C)CCOC 1 1.418 3 4 0 -16.0371667532532 15989045 CCCCN(CC)CCNC(=O)C1=CN(C(=O)C2=C1C3=CC=CC=C3N2C)CCOC 1 2.577 4 3 0 -12.3610827182817 15989043 CCN(CC)CCNC(=O)C1=CN(C(=O)C2=C1C3=CC=CC=C3N2C)CCOC 1 1.597 4 3 0 -11.489277185037 15989041 CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)NCCCOC)CCOC 1 0.692 3 4 0 -13.8046291024326 15989025 CCN(CC1=CC=CC=C1)C(=O)CN2C3=C(C(=C(S3)C)C)C(=O)N(C2=O)C4=C(C=C(C=C4)OC)OC 1 4.136 3 5 0 -17.7585125841578 15989021 CC1=C(SC2=C1C(=O)N(C(=O)N2CC3=CC=C(C=C3)F)C4=C(C=C(C=C4)OC)OC)C 1 4.727 2 4 -4.9789084252477 15989018 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)NC3=CC=C(C=C3)C(C)C 1 4.232 1 3 -4.89303088541724 15988997 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCC(CC3)C(=O)NCCCOC(C)C)Br 1 2.101 3 5 0 -28.8572232923368 15988901 C1=CC(=CC(=C1)Cl)C2=CC(=NO2)C(=O)NC3=CN=CC=C3 1 2.82 3 2 0.610821051429127 15988899 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC(=CC=C4)Cl 1 3.064 4 3 0 -10.0259516197473 15988896 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br 1 3.148 4 3 0 -12.9623927266295 15988871 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NOC(=C3)C4=CC(=CC=C4)Cl 1 4.23 3 2 4.7914810395032 15988868 C1=CC(=CN=C1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl 1 2.82 3 2 -0.86896031035163 15988865 CC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4 1 3.561 2 4 -3.43947387888099 15988864 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Cl 1 3.064 4 3 0 -11.5057329815281 15988852 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4 1 3.026 2 7 0 -8.60033798335809 15988850 C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)C(=O)NC4=C(C=C(C=C4)F)F 1 3.486 2 4 -3.17893435016741 15988831 CCC1=CC=CC=C1NC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4 1 4.017 2 4 -5.4694657576274 15988816 CCC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C=N3)C(C)(C)C 1 4.817 3 0 -1.39565849372133 15988813 CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=NOC(=C3)CC(C)C)C 1 4.165 4 2 -9.01325118622119 15988804 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)F 1 2.605 4 3 0 -12.6158546466496 15988803 CC1=NN(C(=C1)NC(=O)C2=NOC(=C2)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4 1 3.907 4 4 0 -9.30848059753216 15988802 CC1=CC(=C(C=C1)O)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)F 1 3.756 2 3 1.71483114633608 15988799 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=NOC(=C3)C4=CC=C(C=C4)F 1 3.976 3 2 1.63656226552556 15988798 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC(=C(C=C4)OC)OC 1 2.367 4 5 0 -17.3008216159253 15988797 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NOC(=C3)C4=CC=C(C=C4)F 1 3.754 3 3 0.26891708412492 15988796 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC4=C(C=C3)OCO4)OC 1 3.042 2 6 0 -9.1637122730866 15988795 CCCCN(CC)CCCNC(=O)C1=CN(C(=O)C2=C1C3=CC=CC=C3N2C)C 1 2.77 4 2 -12.8174358002781 15988778 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(N=CC=C3)Cl)OC 1 2.997 3 4 0 -6.69360474560309 15988773 CCCCN(CC)CCNC(=O)C1=CN(C(=O)C2=C1C3=CC=CC=C3N2C)C 1 2.707 4 2 -11.8565216278102 15988768 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)OC 1 3.738 3 4 0 -1.51020873606732 15988744 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CS3 1 2.795 2 5 0 -16.9019035517392 15988739 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CS3 1 2.551 2 5 0 -19.7544078753933 15988738 COC1=CC=CC=C1C2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.549 3 3 -1.46868647368141 15988719 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NOC(=C3)C4=CC(=CC=C4)OC 1 4.549 4 3 0 -5.35284726960147 15988718 CC(=O)C1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 2.335 1 4 -13.9555950923193 15988706 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C/C(=C\4/C=CC=CC4=O)/ON3 1 1.194 3 4 0 -6.23736538001926 15988702 CC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(S2)Br 1 2.466 2 3 -11.2762771507291 15988700 COC1=CC=CC(=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(S2)Br 1 1.963 2 4 0 -11.3325379651856 15988699 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.754 3 3 3.90579614053262 15988697 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.533 3 4 0 1.07133361383384 15988696 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC=C(S3)Br 1 1.974 3 4 0 -7.22037505815354 15988692 COC1=CC=CC=C1N2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC=C(S3)Br 1 1.974 3 4 0 -9.00137297262759 15988690 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC(=C(C=C4)Cl)Cl 1 3.728 4 3 0 -12.1752463981847 15988684 CC1=C(C=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CS3)C 1 4.232 2 2 -6.6355734838505 15988675 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)OC 1 2.383 4 4 0 -13.740697881259 15988671 CCC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CS3 1 4.202 2 2 -6.48725890076783 15988663 COC1=CC(=C(C=C1)OC)C2=CC(=NO2)C(=O)NCC3=CC=C(C=C3)Cl 1 3.945 2 4 -7.0822293211156 15988659 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 2.232 3 4 0 -11.7861100851075 15988658 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.549 3 3 1.07673477799149 15988656 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C4C=CC(=O)C=C4)ON3 1 4.5e-002 4 4 0 -14.6051179858074 15988654 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=C4C=CC(=O)C=C4)ON3 1 1.211 3 3 0 -1.89959298147875 15988299 CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)NC4=C(C=C(C=C4)F)F 1 2.76 5 2 0 -15.7593244940237 15988257 CCC1=CC(=CC=C1)NC(=O)NC(=O)CN2C(=C(N=N2)C(=O)OCC)C(=O)OCC 1 2.499 5 6 0 -15.0024940175522 15988237 CCOC(=O)C1=C(N(N=N1)CC(=O)NC(=O)NC2=CC=C(C=C2)F)C(=O)OCC 1 1.762 5 6 0 -15.3582614778384 15988235 COC(=O)C1=C(N(N=N1)CC(=O)NC(=O)NC2=CC=CC=C2F)C(=O)OC 1 1.065 5 6 0 -18.0598626019751 15988211 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCOC 1 1.164 3 5 0 -14.4616975639248 15988200 COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=CC=C4)NC2=O)OC 1 3.427 3 5 0 -16.2291606373305 15988190 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F)NC1=O 1 3.804 4 3 0 -6.27714293139373 15988175 COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)Cl)NC2=O)OC 1 4.091 3 5 0 -13.5923470419641 15988150 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CCC5=CC=CC=C5 1 3.924 4 3 0 -5.01877033146226 15988137 CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N4C(=N3)SC(=N4)NC5=CC=CC=C5OC 1 4.283 5 3 0 -12.967815500306 15988128 COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)NC2=O 1 3.381 4 4 0 -5.16464413294962 15988116 COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)OC 1 1.477 3 5 0 -15.1421283923434 15988110 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl)NC1=O 1 2.347 4 4 0 -6.39017558622368 15988106 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)NC1=O 1 1.683 4 4 0 -8.47347747195273 15988096 CCN(C1=CC=C(C=C1)OC)C(=O)CC2=C(NC3=CC=CC=C32)C(=O)O 1 3.402 2 4 -7.70223825149484 15988074 CC1=CC(=C(C=C1)OC)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.346 3 4 0 -19.4840421524457 15988072 COC1=CC(=CC(=C1OC)OC)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.827 3 6 0 -22.1088316725141 15988070 C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NC3=C(C=C(C=C3)F)F 1 1.288 3 3 0 -16.7777378341009 15988068 CCOC1=CC=CC=C1NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCCC(=O)NCCOC)OC)OC 1 1.41 4 8 0 -27.4748919112263 15988066 COC1=CC=CC=C1NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NCC4CCCO4)OC)OC 1 1.23 4 8 0 -27.3022716778407 15988050 COC1=CC=C(C=C1)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NCC4CCCO4)OC)OC 1 1.23 4 8 0 -24.5493583461008 15988046 CCC1=CC(=CC=C1)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NCC4CCCO4)OC)OC 1 2.189 4 7 0 -23.5956577075434 15988044 CC1=CC(=C(C=C1)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NCC4CCCO4)OC)OC)C 1 2.219 4 7 0 -27.2073439870668 15988042 CC1=C(C=C(C=C1)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NCC4CCCO4)OC)OC)C 1 2.219 4 7 0 -24.6929177047278 15988036 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC(=O)NC3=CC=C(C=C3)F)CCC(=O)NCC4CCCO4)OC 1 1.452 4 7 0 -23.5932879604008 15988026 CC1=CC=CC=C1NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NCC4CCCO4)OC)OC 1 1.733 4 7 0 -26.8698577618583 15988025 CC1=CC=C(C=C1)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NCC4CCCO4)OC)OC 1 1.733 4 7 0 -24.305164985866 15988023 COCCNC(=O)CCCN1C(=O)C2=CC(=C(C=C2N(C1=O)CC(=O)NC3=CC=C(C=C3)F)OC)OC 1 1.283 4 7 0 -22.6839727818564 15988012 CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)NC4=CC=CC=C4OC 1 2.332 5 3 0 -19.6011068797368 15988009 CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)NCCC4=C(C=CC(=C4)OC)OC 1 2.644 5 4 0 -23.6548327341401 15987999 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(C=CC(=C3)OC)OC)C4=C(OC5=CC=CC=C5C4=O)O 1 4.362 2 6 0 -11.0121215861999 15987994 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(C=C(C=C3)Cl)Cl)C4=C(OC5=CC=CC=C5C4=O)O 1 5.723 2 4 -5.68988088184698 15987992 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)Br)C4=C(OC5=CC=CC=C5C4=O)O 1 5.143 2 4 -9.72752271960894 15987961 CCCCC(CC)CNC(=O)CCCCN1C(=O)C2=C(C=CS2)NC1=O 1 3.826 3 3 -19.7628654264679 15987958 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=C(C=CS4)NC3=O 1 1.928 4 4 0 -13.2942779405275 15987937 CCOC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCC(CC2)C 1 4.047 2 3 -21.5161201835363 15987901 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 2.235 3 5 0 -7.59279093140852 15987900 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 2.235 3 5 0 -9.00795363921134 15987897 CC(C)C1=CC=C(C=C1)NC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.823 3 3 0 -14.8385453403068 15987896 COC1=CC(=CC(=C1OC)OC)NC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.579 3 6 0 -20.1430312372139 15987891 COC1=CC(=C(C=C1)NC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O)OC 1 0.596 3 5 0 -19.6906833411395 15987888 CCN(CC)CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Br 1 4.529 3 1 -8.3730811459663 15987876 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC=CC=C3F)N4CCN(CC4)C 1 3.531 4 1 -2.16519548876987 15987872 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC)S(=O)(=O)N4CCN(CC4)C 1 0.549 5 7 0 -28.2185111683391 15987871 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC(=C(C=C3)OC)OC)S(=O)(=O)N4CCN(CC4)C 1 0.566 5 6 0 -28.4521698000985 15987863 CC(C)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 3.004 3 4 0 -10.9455831068444 15987857 CC1=C(C(=CC=C1)C)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 2.782 3 4 0 -13.8723370189561 15987830 CC1CC2=CC(=CC(=C2N1C(=O)C)S(=O)(=O)NCC3=CC=C(C=C3)OC)Br 1 2.835 2 4 -8.56537959234566 15987777 CCN(CC)C1=NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3OC)C(=C1)C 1 4.049 3 2 -6.90595188271068 15987734 COC1=C(C=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32)Cl 1 2.458 3 5 0 -12.0638576609123 15987735 CC1=C(C=CC(=C1)Br)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 3.045 3 4 0 -13.6473418278033 15987736 CC1=C(C=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32)Cl 1 2.961 3 4 0 -10.7971869495873 15987738 CCN(C1=CC=CC(=C1)C)C(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.409 3 3 -14.1627464204412 15987767 CC1=C(C(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32)C 1 2.726 4 3 0 -11.8128216470225 15987763 C1CN(CCN1C2=CC=CC=C2F)C(=O)CNS(=O)(=O)C3=CC=CS3 1 1.628 3 3 0 -8.55108090300878 15987749 CN(C1=CC=C(C=C1)OC)C(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.558 3 4 0 -11.390435974626 15987747 CCN(CC)C1=CC(=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32)C 1 3.714 4 3 0 -18.5957461220348 15987720 CCCN(C1=CC=CC=C1C)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C 1 3.242 2 2 -14.5742847904532 15987718 CCCN(CCC)CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCC(CC3)C 1 2.18 5 4 0 -33.3618015009174 15987716 CCCN(CCC)CCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCC(CC3)C 1 2.117 5 4 0 -31.8037637255611 15987715 CCCCN(CC)CCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCC(CC3)C 1 2.05 5 4 0 -32.199075605411 15987698 CCCN(CCC)CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCCCC3 1 1.928 5 4 0 -30.6403132475523 15987683 CCCCN(C)C(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 2.212 5 5 0 -26.6258157232439 15987677 CCN(CC)CCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 1.514 6 5 0 -28.6382373154987 15987675 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCCCOC)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 0.609 5 6 0 -31.9632077743815 15987674 CCCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 2.006 5 5 0 -30.7829421440676 15987672 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCCN(C)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 0.816 6 5 0 -26.1490451017037 15987671 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCCOC)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 0.547 5 6 0 -31.3295955985278 15987669 CCC(C)NC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 1.928 5 5 0 -31.584119985358 15987645 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC(=CC(=C4)OC)OC)C(=C2)C 1 3.641 4 3 0 -5.25680435756159 15987605 CCOCCCNC(=O)C(C1=CC=C(C=C1)OC)N(CC2=CC=CS2)C(=O)C3=CC=CC=C3O 1 3.368 2 5 0 -12.6263364052112 15987599 CN1C=C(C2=CC=CC=C2C1=O)C(=O)NC3=CC=C(C=C3)C#N 1 1.556 3 2 0 -14.2637407839908 15987596 CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N(C)C3=CC=C(C=C3)OC 1 1.834 2 5 0 -10.8780825479521 15987592 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C 1 1.992 3 5 0 -11.0632801019705 15978159 C=CCN1C(=NN=C1SCC(=O)NCC2CCCO2)C3=CC=CC=C3 1 2.443 4 2 -22.8984120116166 15965407 COC1=CC=C(C=C1)C[C@@]2([C@@H]3[C@@H](CC4=C3C=C(N4CCN5CCNC5=O)C(=O)N6CCCC6)CN2C(=O)C7=CC=CC=C7)C(=O)OC 1 3.276 5 6 0 -15.6967736678334 15953533 CC(C)[C@H]1COC(=N1)NC2=N[C@H](CO2)C(C)C 1 3.043 3 2 1.08237197910822 15947078 CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(NC(=O)NC2=O)O 1 0.376 3 6 0 -17.4407219514094 15945840 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=NNC3=NN=C(N3N)C.Cl Cl- 1 1.858 7 0 0 -6.71517055724307 15945839 COC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl Cl- 1 2.443 3 3 -1.34664297618665 15945838 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=NNC3=NN=C(N3N)C.Cl Cl- 1 1.636 7 1 0 -7.84001379185246 15945837 CC1=NN=C(N1N)NN=CC2=C(C(=CC=C2)OC)OCC3=CC=CC=C3Cl.Cl Cl- 1 2.701 6 2 0 -6.94935863599172 15945836 C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O.Cl Cl- 1 3.996 3 4 0 -10.5773699919812 15945835 CCN1CCN(CC1)CC(COC2=CC3=C(CCC3)C=C2)O.Cl Cl- 1 2.804 2 2 -5.13505487630266 15945834 CC(C)OC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CN=CC=C4)/O 1 1.739 4 4 0 -4.67621843653452 15945833 COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O.Cl Cl- 1 2.948 3 5 0 -2.19906955510915 15945832 COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3[N+](=O)[O-])O.Cl Cl- 1 2.948 3 5 0 -4.85862962849833 15945831 CC1=CC=C(C=C1)NC(=O)CC(C2=CC=CC=C2)C(=O)O 1 2.776 1 3 -9.19267743914629 15945830 CC1(CC2=C(C(=O)C1)C(=C(C(O2)C3=CC=C(C=C3)O)C#N)N)C 1 1.496 2 3 0 -12.4124949939578 15945828 CC1=CC=CC=C1CN2C=CC(=NCC3=CC=CC=C3)C=C2.Br Br- 1 3.798 2 0 -1.10044863130992 15945826 COC1=C2CCC3C(C2=C(C=C1)OC)OCCN3.Cl Cl- 1 1.61 1 3 0 -8.35666573109168 15945825 CC(C)C(=O)NN=C(C)/C=C/C1=CC=CC=C1F 1 2.792 2 1 -6.1545418626209 15945824 CC1=CC=C(C=C1)OCC(=O)OC(C)CN(C)CC2=CC=CC=C2.Cl Cl- 1 4.106 1 3 -2.37979513752599 15945823 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)NC(C)C(=O)O 1 2.96 1 6 0 -18.0843495974116 15945822 COC1=C(C=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3)COC5=CC=C(C=C5)F.Cl Cl- 1 5.288 2 2 -9.34289784674863 15945821 CC(CC(CC1=CC(=CC(=C1)OC)OC)CC(=O)O)OCC2=CC=CC=C2 1 4.226 0 5 -8.16997458792401 15945820 CCC1=CC=CC=C1N/C(=N/S(=O)(=O)C2=CC=CC=C2)/C(F)(F)F 1 4.392 2 2 -7.5340492125495 15945819 CCOC1=C(C(=CC(=C1)CNCC2=CC=NC=C2)Cl)OC.Cl Cl- 1 2.781 2 2 -1.26670841833602 15945818 CCC1=C[N+](=C(C=C1)/C=C/C2=CNC3=CC=CC=C32)CC.[I-] I- 1 5.296 2 0 8.11813728117495 15945759 CC1=NC2(C(S1)N(C3=CC=CC=C32)C(=O)C)O.Br Br- 1 1.225 2 2 0 -3.78773989971712 15945760 CC1=CC(=O)N2C(=N1)/C(=N/NC3=CC=CC=C3)/C(=N2)N 1 0.912 6 1 0 -6.92127548301654 15945762 CC1=C(C=CO1)C(=O)NN/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C 1 0.532 4 3 0 -5.4984061972376 15945763 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=C(C=C(C=C3)OC)OC 1 2.939 4 5 0 -14.7082497093198 15945764 C1=CC=NC(=C1)CSC(=N)N.Cl Cl- 1 1.071 3 0 0 -2.56935128271048 15945765 CCN1C(=O)CC2(C1=O)C[N+]3(CCC2CC3)C.[Br-] Br- 1 -1.241 2 2 0 -5.24357224933822 15945767 CN(C)N1C(=O)CC(C1=O)NNC(=O)C2=CC=NC=C2 1 -1.772 5 3 0 -8.80977849664759 15945768 CC1=CC(=C(C=C1)OC)NC(=O)C(=O)NN=C(C)CC(=O)NC2=CN=CC=C2 1 0.54 5 4 0 -11.2290230799944 15945769 C1CN2C3=CC=CC=C3N(C2=N1)CC(=O)C4=CC=CS4.Br Br- 1 2.393 3 1 -11.8810461309161 15945770 C/C=C/C=NNC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.978 4 2 2.94377901191276 15945771 CCCOC1=C(C=C(C=C1)C(=O)C)CN2CCOCC2.Cl Cl- 1 2.187 1 3 -4.90776288243459 15945772 CC(=NNC(=O)CNC(=O)C1=CC=CC=C1Cl)/C=C/C2=CC=CC=C2 1 2.846 3 2 -11.9391672153569 15945773 CC1=CC(=O)N2C(=N1)/C(=N/NC3=CC=CC=C3F)/C(=N2)N 1 1.117 6 1 0 -6.50947567702295 15945774 CC1=CCC2C1[C@@H]3C([C@H](C[C@@]2(C)O)OC(=O)C)C4(CC56C=CC4(C5[C@@H]7C(CC[C@@]6(C)O)C(=C)C(=O)O7)C)C(=O)O3 1 2.015 0 8 0 -6.72179718563003 15945775 CCOC(=O)/C(=C\1/C2=CC=CC=C2CC(N1)(C)C)/C.I I- 1 2.84 1 2 -5.97256327050498 15945776 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC(=O)C3=CC=C(O3)CN4C=CC=N4 1 1.764 4 3 0 -5.49088273037702 15945777 C1CCN(CC1)CC2=CSC3=CC=CC=C32.Cl Cl- 1 3.682 1 0 2.05477710538732 15945778 CCC1(C(N(NC(=O)O1)C2=CC=C(C=C2)C)(C)O)C 1 2.832 2 3 -1.84883579184932 15945779 CC(=NNC(=O)COC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)F 1 1.996 3 3 0 -5.77299526376484 15945780 CC1=CC=C(C=C1)C2=CC(=[N+](O2)C)C3=CC=C(C=C3)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 5.403 1 1 4.7668128239147 15945781 C/C(=C/1\C(=O)C=CC=C1)/N[C@H]2[C@@H](CCCC2)N/C(=C\3/C(=O)C=CC=C3)/C 1 2.766 2 2 -4.96710002199071 15945782 CCCCC(=O)NN=C(C)CC(=O)NC1=CC=CC=C1Br 1 2.618 3 2 -11.3721142564928 15945816 C1COCCN1CC2=CSC3=CC=CC=C32.Cl Cl- 1 2.453 1 1 -0.343829105524761 15945815 CC1CN(CC(O1)C)S(=O)(=O)C2=CC3=C(CCN3C(=O)C)C=C2 1 0.79 2 4 0 -23.7199139765794 15945814 CCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2C(C(NC3=C2C(=O)N=C(N3)N)C)C.[I-] I- 1 3.281 6 2 0 -8.40826071598523 15945813 CC(=NNC1=NC=CN=C1Cl)C2=C(C(=C(C(=C2F)F)F)F)F 1 2.931 4 0 -0.310789955672654 15945812 CN1C2=CC=CC=C2OC3=CC=CC=C31.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 3.316 1 1 1.47245512841105 15945811 CN1CCC2=C(C3=CC=CC=C3N=C21)N=C4CCCN4CC5=CC=CC=C5.Cl Cl- 1 3.597 4 0 -3.54310374157214 15945810 CN=C(C1=CC=C(C=C1)Cl)NC2CCCCC2.Cl Cl- 1 3.821 2 0 -2.53052496001013 15945809 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NN=CC3=CC=CC=C3 1 2.412 4 2 -12.0276289082887 15945808 C1CN(CCN1)C=NN/C(=C\N=O)/C2=CC=C(C=C2)F 1 0.365 5 1 0 -4.27538430460548 15945807 CCC(=O)NN=C(C)CC(=O)NC1=C(C=CC(=C1)Cl)C 1 2.108 3 2 -5.79362686100878 15945806 C1CCN(CC1)CCOC2=CC=CC3=C2SC4=CC=CC=C4CC3=O.O.Cl Cl- H2O 1 4.596 1 2 1.36950155532655 15945805 CCOC(=O)N1CCN(CC1)CC(COC2=C(C=CC=C2C)C)O.Cl Cl- 1 2.622 2 4 -7.44919193292808 15945804 CC(=NNC(=O)CC(=O)NCCC1=CC=CC=C1)CCC2=CC=CC=C2 1 2.774 3 2 -12.3639216810823 15945803 C[N+]1=CC=CC(=C1)C(=O)NCC2CCCO2.[I-] I- 1 1.001 2 2 0 -11.194799004076 15945802 CN1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)C3CCCC3.O.Cl Cl- H2O 1 3.837 2 1 3.99153230454563 15945801 CCN(CC)C(=O)C1=C[N+](=C(C=C1)/C=C/C2=CNC3=CC=CC=C32)C.[I-] I- 1 4.117 3 1 -2.9451895785397 15945800 CC1C(NC2=C(N1)C(=O)N=C(N2)N(C)C)C.O.Cl Cl- H2O 1 -0.525 5 1 0 -8.12302088347345 15945799 CCC(=O)N=C1N(C2=CC=CC=C2N1CC=C)C.Cl Cl- 1 2.433 3 1 -8.39663808985718 15945798 CCC1=CC=C(C=C1)OCC(CN2CCC(CC2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O.Cl Cl- 1 4.523 2 4 -2.43697752641583 15945797 C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COCC5=CC6=C(C=C5)OCO6)O.Cl Cl- 1 3.169 2 6 0 -5.33467248444191 15945796 CC1=CC(=C(C=C1)C)OCC(CN2CCC(CC2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O.Cl Cl- 1 4.553 2 4 -2.78107030875113 15945795 CC\1=NC2=CC=CC=C2/C1=N/NC3=CC=CC(=C3)C(=O)C 1 3.052 3 1 -7.48719599262259 15945793 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)[C@H]3[C@H]4CC=C[C@H]4C5=C(N3)C(=CC(=C5)C(=O)O)Cl 1 3.091 2 5 0 -10.7358025636794 15945791 CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=C[N+](=C1COC(=O)N(C)C)C Cc1ccc(cc1)S(=O)(=O)O 1 0.666 3 2 0 -3.52582431563176 15945789 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NC3=CC=C(C=C3)CC(=O)O 1 2.814 1 3 -5.80243143318926 15945788 CCS(=NS(=O)(=O)C1=CC=C(C=C1)C)C 1 2.216 1 2 -0.96219154621745 15945786 CC1=CC=CC=C1NC(=O)C2C3C2CC/C=C\CC3 1 3.706 1 1 -3.01419821398291 15945785 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=C/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 3.155 6 3 0 -13.2186912530691 15945784 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)CSC3=NN=CC4=CC(=C(C=C4)OC)OC 1 2.793 5 4 0 -19.2701713563351 15945783 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC 1 2.516 3 4 0 -18.8255697116126 15945758 C1CC2C3CN(CC3C1C2OC(=O)C4=CC=CC=C4)CCC5=CC=CC=C5.Cl Cl- 1 4.482 1 2 -5.4616868279054 15945757 CC(C)C1=CC(=O)/C(=C(\C)/NOCC2=CC=CC=C2)/C(=O)N1C3=CC=CC=C3 1 3.528 2 3 -1.19213627902194 15945755 C1CCN(CC1)C=NN/C(=C\N=O)/C2=CC=C(C=C2)F 1 1.861 4 1 0 -1.14950076938751 15945754 CN1CCN(CC1)C=NN/C(=C\N=O)/C2=CC=C(C=C2)F 1 0.901 5 1 0 1.30165858085324 15945753 C1CCN(CC1)C=NN/C(=C\N=O)/C2=CC=CC=C2 1 1.656 4 1 0 -2.65702536236211 15945752 C[N+]1=CN(C2=CC=CC=C21)N=CC3=CC=CC=C3.[I-] I- 1 4.402 3 0 5.55832532956572 15945750 CN(C)CCN(C)CC1=CC=CC=C1SC2=CC=CC3=CC=CC=C32.Cl Cl- 1 5.069 2 0 3.51921290846042 15945749 COC1=C(C=C(C=C1)COCC(CN2CCC(CC2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O)OC.Cl Cl- 1 3.368 2 6 0 -8.28325623849847 15945748 C1CC2C(=O)N(C(=O)N2C1)CCCCN3CCN(CC3)C4=CC=C(C=C4)N.O.Cl Cl- H2O 1 1.511 5 2 0 2.193274623865 15945745 COC1=CC=C(C=C1)[C@H]2[C@H]([C@@H](SC(=C2C#N)N)C3=CC=CC=C3)[N+](=O)[O-] 1 3.575 3 3 -6.41472855551329 15945744 CC1=CC=CC2=NC(=CN12)CSC3=NC4=CC=CC=C4O3 1 3.26 3 1 6.58958633145142e-002 15945742 CN1C=[N+](C=C1C2=CC=C(C=C2)/C(=N/O)/N)C.Cl.[Cl-] Cl- Cl- 1 2.145 4 1 6.14709217118742 15945741 CC1=CC(=C(C(=C1)C)NC(=O)C2CCCN2CCOC(=O)C3=CC=CC=C3)C.Cl Cl- 1 4.515 2 3 -11.6886326127682 15945740 CC1=CC(=C(C(=C1)C)NC(=O)C2CCCN2CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C.Cl Cl- 1 4.409 3 5 0 -15.2517129962639 15945739 CC1=CC(=CC(=C1N)C)C(C)(C)C.Cl Cl- 1 3.456 1 0 4.76871979296778 15945738 CC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O.Cl Cl- 1 2.728 3 5 0 -9.26151366643986 15945737 CN1CCN(CC1)CC2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=NC3)C5=CC=CC=C5.C(=O)O COOH 1 3.476 6 0 3.99456456999991 15945735 CN1C2=C(C(=O)N(C1=O)CCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC)N(C=N2)CCN(C)C.Cl Cl- 1 1.493 5 7 0 -20.0465067274727 15945734 COC1=CC2=C(C=C1)NC(=C2)C(CC3=CN=CC=C3)(CC4=CN=CC=C4)O.O H2O 1 3.187 3 2 3.27833214717813 15945733 C1CN2C3=CC=CC=C3N(C2=N1)CC(=O)C4=CC=C(S4)Br.Br Br- 1 2.961 3 1 -8.93740834780616 15945732 CN1C(=NN=N1)SCCNCC2=CC=CC=C2OCC3=CC=C(C=C3)Cl.Cl Cl- 1 3.641 5 1 -9.53764851894415 15945731 CN1C(=NN=N1)SCCNCC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3.Cl Cl- 1 3.641 5 1 -8.18003371992509 15945730 CC(C(C1=CC=CC=C1)O)NCC2=CC=C(C=C2)C3=CC=CC=C3.Cl Cl- 1 4.336 1 1 3.08129980692285 15945729 CNC(=O)OCCC1=[N+](C=CN1C)C.[I-] I- 1 0.708 3 2 0 -5.2747102523271 15945728 CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC(=C3)OC(=O)N(C)C)C.[Cl-] Cl- 1 3.718 3 3 -5.91066701758392 15945727 C1CCC2=C(C1)C(=N)C3=C(N2CC4=CC=C(C=C4)Br)CCC3.Br Br- 1 4.952 2 0 -4.79070233791166 15945726 CCOC(=O)CN1C2=C(CCCC2)C(=N)C3=C1CCC3.Cl Cl- 1 2.676 2 2 -12.4269577156355 15945725 CCCCOC1=CC=C(C=C1)C(=O)NN/C=C/2\C=NN=C2C3=CC(=C(C=C3)OC)OC 1 3.158 4 4 0 -8.96295233358894 15945724 COC1=CC=C(C=C1)N/C=C\2/C(=O)NC(=O)N(C2=O)CC3CCCO3 1 0.753 3 5 0 -13.379393584186 15945723 CCN1C=C(C(=N1)C)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)NC4=NC=CC(=C4)C)C 1 2.653 5 2 0 -35.9521164051135 15945722 CCC1=NSC2=NCC(=NN12)C3=CC=CC=C3.Br Br- 1 2.86 4 0 -0.297628688931456 15945719 CN1C2=C(C(=CC=C2)[N+](=O)[O-])N=C1[N+]3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[I-] I- 1 8.306 4 2 3.96689071999726 15945718 CC1=CC=C(C=C1)CNC(C)C2=CC=CC=C2.Cl Cl- 1 3.814 1 0 3.58728698707727 15945717 C1CNCCC1=C2C3=C(SCC4=CC=CC=C42)SC=C3.C(=O)O COOH 1 3.752 1 0 -6.5316845624004 15945716 CC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3OC 1 2.28 3 3 -14.6074336279244 15945715 CCN\1CCS/C1=C/C=C/C2=[N+](CCS2)CC.[I-] I- 1 3.122 2 0 5.53786714548275 15945714 C1CN=C(N1)NCC2=CC=CC=C2SC3=CC=CC=C3F.I I- 1 3.356 3 0 -5.7023551434282 15945712 CC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4CCCN4C3=O.O.Cl Cl- H2O 1 2.744 4 2 2.49527306794793 15945711 C1CCN(CC1)CCCOC2=CC3=C(C=C2)C(=O)CC4=CC=CC=C4S3.Cl Cl- 1 4.659 1 2 2.31562997132631 15945710 CC1=CC=C(C=C1)NC(=S)/N=C(\N)/NN=C(C)C 1 2.59 5 0 -4.50257235339599 15945709 COC(=O)C1=NNCC12CC(=O)N(C2=O)C3=CC=C(C=C3)Br 1 0.899 3 4 0 -7.3396626238954 15945708 COC1=CC=CC=C1NC(=O)CSC2=NCCN2.Cl Cl- 1 1.274 3 2 0 -16.641467717004 15945707 CC1=CC=CC=C1CNC2CCCCC2.Cl Cl- 1 3.712 1 0 2.05705458243557 15945706 CCCN1C2=C(CCCC2)C(=N)C3=C1CCC3.I I- 1 3.493 2 0 -7.67860737943982 15945705 COC1=CC=CC(=C1)C(=O)CN\2C=CC=C/C2=C\[NH+]=O.[Br-] Br- 1 1.142 2 3 0 -5.22445371393531 15945702 C[C@H]1C(N(CCC12OCCO2)C)C3=CC(=CC=C3)OC.Cl Cl- 1 2.332 1 3 0.56667816238966 15945700 CCN1C2=C(CCC2)C(=N)C3=C1CCC3.Br Br- 1 2.513 2 0 -6.32229965327683 15945699 CCOC(=O)OC1=C(C=C(C=C1)C(=O)OCCCN(C)C)OC.Cl Cl- 1 2.629 1 6 0 -8.12157524040811 15945698 CN1C(C(=C(O1)C2=CC=CC=C2)CO)C3=CC=CC=C3 1 2.234 1 2 9.19805624392017e-002 15945697 CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)NC(=O)C3CCC(=O)N3 1 2.361 3 3 -17.9617997999032 15945696 C=CCOC1=CC=CC=C1C=NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.612 2 2 -4.40540333626467 15945695 CCOC(=O)C(C)SC1=NN=C(O1)CSC2=NN3C(=CC(=NC3=N2)C)C 1 2.643 6 3 0 -21.6518215331398 15945692 CCCC1=NSC2=NCC(=NN12)C3=CC=C(C=C3)Br.Br Br- 1 4.064 4 0 0.97029673915207 15945691 CC(C)N(C)CCOC(=O)/C=C/C1=CC=CC=C1.Cl Cl- 1 3.018 1 2 -4.54447802155429 15945690 C[C@H]1C2CC[C@]3(C4C5[C@H]([C@](C4([C@H]2OC1=O)C6C5C7C(=C6C)C8[C@@H](CC[C@]7(C)O)C(C(=O)O8)C)(O3)C)O)C 1 2.078 0 7 0 -1.22984047239407 15945688 CS(=O)(=O)O.C1CN(CCN1)C2CC3=CC=CC=C3SC4=C2C=CC=C4Cl CS(=O)(=O)O 1 4.211 2 0 -0.795681612852823 15945687 CN(C)CC1=C(C=C(C=C1)F)SC2=C(C=CC(=C2)Cl)Cl.Cl Cl- 1 5.556 1 0 6.26161433584564 15945686 CN(C)CC1=C(C=C(C=C1)F)SC2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 5.556 1 0 6.17768281649091 15945684 C1CN(CCC1C(C#N)C2=CC=CC=C2)CC3=CC=CC=C3.Cl Cl- 1 3.994 2 0 1.59343885371389 15945682 C1CC2=CC3=C(CCC3)C(=C2C1)CCCN4CCN(CC4)CCO.Cl Cl- 1 4.212 2 1 2.82655528460466 15945679 CN1C2/C(=C/C3=CC=CC=N3)/C(=O)/C(=C\C4=CC=CC=N4)/C1CC2 1 2.981 3 1 2.70721953152315 15945678 COC1=C(C=CC(=C1)CC=C)OCC(CN2CCN(CC2)CC3=CC=C(C=C3)Cl)O.Cl Cl- 1 4.638 2 3 -6.62558389940526 15945677 C1=CC=C(C(=C1)C(=O)NN=C(N)N)Cl.Cl Cl- 1 0.716 4 1 0 -4.85392156915284 15945676 CNC1=NC(=NC(=N1)NC2=CC=CC=C2)NN=CC3=CC=C(C=C3)[N+](=O)[O-].Cl Cl- 1 2.633 8 2 0 -7.09263689829466 15945675 COC1=CC(=CC=C1)OCCOCC(CN2CCN(CC2)CC3=CC=C(C=C3)Cl)O.Cl Cl- 1 3.499 2 4 0.62383909110091 15945674 CC(C)N(C)CCOC(=O)C1=CC=CC=C1Br.Cl Cl- 1 3.298 1 2 -5.33245921453291 15945673 C/C=C/C=NNC(=O)CN(C1=CC=C(C=C1)Br)S(=O)(=O)C2=CC=CC=C2 1 3.305 3 3 -12.512454371336 15945672 CC(C)N(C)CCOC(=O)C1=CC=CC=C1Cl.Cl Cl- 1 3.214 1 2 -5.49267069810417 15945670 CC1=NC2=CC=CC=C2C(=C1)Cl.O H2O 1 2.963 1 0 4.44205096945811 15945669 C1=CC(=C(C=C1Cl)Cl)CSC(=N)N.Br Br- 1 3.336 2 0 -0.21364248194139 15945668 C1=CC(=CC=C1C2=C(N=C(N=N2)C3=CC=C(C=C3)Br)NCCCO)Cl 1 4.434 4 1 9.17174877498706 15945666 CC1=CC=CC(=C1)C=NNC(=O)CC(=O)NCC=C 1 1.51 3 2 0 -10.9248189762452 15945665 CCCCNC(=O)C(=O)NN=CC1=CC(=CC=C1)Br 1 2.45 3 2 -9.99977823998636 15945664 CCO.CC(=NNC1=NC(=NC(=N1)NC2=CC=CC3=CC=CC=C32)N4CCOCC4)C5=CC=C(C=C5)NC(=O)C CCO 1 2.642 8 2 0 -8.96686403334295 15945663 CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C3=CC=C(C=C3)N(C)C)N(C)C(=O)C 1 3.096 6 1 0 -12.7860646656272 15945611 CCCC1=CC=C(C=C1)C(C)NC2=C(C=CC=N2)C#N 1 4.265 3 0 -0.356112177501502 15945612 C1CCN(CC1)CC2=CSC3=C2C=C(C=C3)Cl.Cl Cl- 1 4.346 1 0 3.48725738895553 15945613 COC1=CC=C(C=C1)C(=O)CN\2C=CC=C/C2=C\[NH+]=O.[Br-] Br- 1 1.142 2 3 0 -4.66102657878438 15945615 C1C(C(CS1(=O)=O)CC(=O)OC2=CC=CC=C2F)CC(=O)OC3=CC=CC=C3F 1 3.251 0 6 -7.94665768750006 15945616 CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CS/C(=N/N=CC3=CC=CC=C3)/N.Br Br- 1 3.416 5 1 -2.5056141073745 15945618 C1CCCC2C(C2C(=O)NN=CC3=CC=NC=C3)CC1 1 2.583 3 1 -3.7746149912763 15945619 CC(=O)N(C1=CC=C(C=C1)Br)C2=C(C(=O)C3=CC=CC=C3C2=O)NC 1 2.348 2 3 -1.26958626177494 15945621 C1=CC=C(C=C1)N2C(=NN=N2)NN=CC3=CC=NC=C3 1 1.089 7 0 0 -9.39315888136187 15945622 C/C(=C\C1=CC=CO1)/C=NNC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC 1 1.912 3 5 0 -18.2459750252589 15945623 CCN(C(=O)CN1CCOCC1)C2(C(=O)C3=CC=CC=C3C2=O)C.Cl Cl- 1 0.964 2 4 0 -8.28141696927419 15945624 C1C2=CC=CC=C2N=CN1C3=CC=CC=C3.Cl Cl- 1 2.668 2 0 -0.961847131675613 15945626 CC1=C(N=C(S1)C)C2=CC=C(C=C2)OC.Br Br- 1 2.622 1 1 1.96792172478515 15945628 CN(C)CCOC1=CC2=C(C=C1)C(=O)CC3=CC=CC=C3S2.Cl Cl- 1 3.679 1 2 -0.250310326398908 15945629 CN(CCCO)CC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31.Cl Cl- 1 3.989 1 1 1.47874599260494 15945630 CC(C)(C1=CC=CC=C1)C(C)(CCCN(C)C)O.Cl Cl- 1 3.154 1 1 0.872359414071701 15945662 C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)N/C=C/3\C=CC=CC3=O 1 2.929 1 2 -4.89376344690089 15945660 CCC1=CC=C(C=C1)OCCOCC(CN2CCN(CC2)CC3=CC=C(C=C3)Cl)O.Cl Cl- 1 4.458 2 3 0.970272913535224 15945659 CC1CC(=O)NC(=O)N1C2=C(C=C(C(=C2)C)C(C)C)C 1 3.414 2 2 -7.58723207329737 15945658 CC1CCC/C(=C\C2=CC=CC=C2)/C1=NO 1 3.755 1 1 0.744789528127891 15945657 CCOC(=O)C1CCCN(C1)CC(COC2=CC=CC(=C2)C)O.Cl Cl- 1 2.739 1 4 -5.51307546996885 15945656 C#CCCCNC1=NC(=CN(C1=O)CC2=CC=CC=C2)Cl 1 2.984 3 1 -4.06212624057923 15945655 C1=CC=C(C=C1)C2=CSC(=NC3=CC=CC=C3)N2CCO.Br Br- 1 3.048 2 1 0.963358826668944 15945654 CCN(CC)CCN1CCN2C3=C(C=C(C=C3)C)C4=C2C1CCC4.Cl Cl- 1 4.744 3 0 8.77370331260069 15945653 CNC(=O)OCC1=[N+](C=CN1C)C.[I-] I- 1 0.46 3 2 0 -4.84115157008776 15945652 CCOC1=CC=C(C=C1)NC(=O)CSC2=NCCN2.Cl Cl- 1 1.623 3 2 0 -14.2889423303008 15945651 C1CN2CCC1C3(C2C(NO3)C4=CC=CC=N4)O.Cl Cl- 1 0.206 3 2 0 -0.133018488223827 15945650 C1C(=O)N(C(=S)S1)N=C/C=C/C2=CC=CC=C2 1 3.155 2 1 -0.221319118884269 15945649 COC1=CC=C(C=C1)NC2=NCC(S2)CC3=CC=C(C=C3)Br 1 4.896 2 1 -1.46023208935558 15945648 COC1=CC=C(C=C1)N=C(N)SCC2=CC=CC=N2.Cl Cl- 1 2.838 3 1 4.2781945715619e-002 15945647 CC(C(=O)NC1=C2CCCC2=CC3=C1CCC3)N4CCCC4.O.Cl Cl- H2O 1 4.015 2 1 -10.457684929146 15945645 CN1CCN(CC1)CCOC2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O CS(=O)(=O)O 1 4.616 2 1 8.00066846096318 15945642 CC1(CC(=C(C(=O)C1)[N+](=O)[O-])NCCCC(=O)O)C.O H2O 1 0.642 2 5 0 -19.7258823434081 15945641 CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=C[N+](=C1CCOC(=O)N(C)C)C Cc1ccc(cc1)S(=O)(=O)O 1 0.914 3 2 0 -3.17933018246136 15945640 CC(C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O)O 1 2.02 2 7 0 -9.14581705407259 15945639 C1CN(CCN1CC2=CC=CC=C2)CC(C3=CC=C(C=C3)F)O.Cl Cl- 1 3.139 2 1 3.62125830682137 15945638 CN1CCN(CC1)CCCC2=C3CCCC3=CC4=C2CCC4.Cl Cl- 1 4.752 2 0 3.31399320927149 15945637 C1CN=C(N1)NCC2=CC=CC=C2SC3=CC=C(C=C3)F.I I- 1 3.356 3 0 -2.48923635072317 15945636 CC(CC1=CC=CC=C1SC2=CC=CC=C2OC)N.O.Cl Cl- H2O 1 3.736 1 1 -2.34162772547794 15945635 C1CN(CCN1CCCO)CCOC2=CC=CC=C2C3=CC=CC=C3.Cl Cl- 1 2.951 2 2 6.20853674473018 15945634 CN(C)CCCOC1=CC2=C(C=C1)C(=O)CC3=CC=CC=C3S2.Cl Cl- 1 3.742 1 2 0.912498872655915 15945633 C1CN(CCN1CCCO)CCCOC2=CC=CC=C2C3=CC=CC=C3.Cl Cl- 1 3.013 2 2 6.29687753855326 15945632 CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C1=CC=C(C=C1)OCC2=CC=CC=[N+]2C Cc1ccc(cc1)S(=O)(=O)O 1 4.48 1 1 2.84790801018275 15945610 CC1=CC(=[N+](O1)C2C3CC4CC(C3)CC2C4)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 3.36 1 1 2.70350310034865 15945609 CCN(CCO)CC1=CSC2=C1C=CC(=C2)C.Cl Cl- 1 3.06 1 1 5.46969649513986 15945608 C1=CC=C2C(=C1)C(=CS2)CN(CCO)CCO.Cl Cl- 1 1.686 1 2 0 3.89628299088463 15945606 CC(=O)NC\1[C@@H](CS/C1=C\CCCC(=O)OC)NC(=O)C2=CC=CC=C2 1 1.688 2 4 0 -16.3802275175134 15945605 C[C@]12CCC(=O)C=C1C(=C)CC3C2CC([C@]4(C3CC[C@]45C6(COCO6)OCO5)C)O 1 2.079 0 6 -9.58199365443961 15945603 C1CCN2CCC[C@H]([C@H]2C1)COC(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Br.Cl Cl- 1 4.858 2 3 -3.43615509079696 15945602 C1=CC=C(C=C1)N2C(=N)/C(=N/NC3=CC=CC=C3F)/C(=N2)N 1 2.355 6 0 -3.26893794758498 15945601 CC(C)CNC(=O)CC(=O)NN=C1CCCC1 1 0.868 3 2 0 -13.8299814285976 15945600 CC1=C(N=NN1C2=CC=CC=C2)C3=NN=C(N3C4=CC=CC=C4Br)SCC(=O)O.O H2O 1 4.548 6 2 0 -13.2732319633753 15945599 CC(=O)C1=CC(=CC=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)CCO.Br Br- 1 1.593 3 5 0 -17.0976948888927 15945598 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NN=C/C=C/C2=CC=CO2 1 2.333 3 4 0 -5.1322956653631 15945597 CCCCNC(=O)CCCCC(=O)NN=CC1=CC=C(C=C1)Cl 1 3.348 3 2 -15.8070450569059 15945596 CCC(=O)NN=C(C)CC(=O)NC1=CC=CC=C1C2=CC=CC=C2 1 2.476 3 2 -1.54580809846812 15945595 CCC(=O)NN=C(C)CC(=O)NC1=CC=C(C=C1)Cl 1 1.622 3 2 0 -4.39633037329697 15945594 CC1(C(=O)C2=CC=CC=C2C1=O)N3CCOCC3.Cl Cl- 1 1.35 1 3 0 -3.84359016377625 15945593 COC1=CC=CC=C1N2CCN(CC2)CC(COCCOC3=CC=C(C=C3)Br)O.Cl Cl- 1 3.672 2 4 -1.67622775539226 15945592 CC(C)N(C(C)C)C(=O)CC(=NNC(=O)C1=CC=CC=C1Br)C 1 2.785 3 2 -9.16498869502164 15945591 CC(=O)C1C2C3=CC=CC=C3O[C@]1(N=C4N2C(=O)C(=CC5=COC=C5)S4)C 1 2.625 2 4 -13.0257332519996 15945588 CN1C2CCC1CC(C2)(C(=O)O)OC(=O)C3=CC=C(C=C3)Cl.Cl Cl- 1 -0.505 1 4 0 -0.444537211887011 15945587 CN(C)CCSC1=NC2=C(NC3=CC=CC=C32)N=N1.Cl Cl- 1 2.906 5 0 -6.82157030992148 15945586 CCOP(=O)(C(C1=CC=C(C=C1)F)NC2=CC=CC(=C2)C)OCC 1 4.125 1 3 -4.20678973387008 15945585 CCOC1=CC=C(C=C1)N(C(C)C(=O)NN=C(C)C(C)(C)C)S(=O)(=O)C 1 2.321 3 4 0 -11.6556193553782 15945584 CC(C1=CC=C(C=C1)Br)NC2=C(C=CC=N2)C#N 1 3.615 3 0 -1.14638402154855 15945583 CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1COC2=CC=C(C=C2)OC(=O)N(C)C Cc1ccc(cc1)S(=O)(=O)O 1 3.049 2 3 -5.57641179375706 15945582 CC1=CC=C(C=C1)CNCCC2=CC=CC=C2F.Cl Cl- 1 3.964 1 0 0.696896481603404 15945579 CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)C(=O)N(C2=O)C5=CC=CC=C5 1 4.596 3 4 0 -13.6781493158562 15945578 CCN1CCCC(C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC.O.Cl Cl- H2O 1 1.893 3 4 0 -5.74325978933744 15945577 C1CN(CCN1CCO)CCOC2=CC=CC=C2C3=CC=CC=C3.Cl Cl- 1 2.888 2 2 6.38111177791258 15945576 CC1=CC2=C(C=C1)OC(=O)C3=C2SC(=C3)C(=O)NC4=NC(=CS4)C 1 3.745 2 3 -7.04148362703156 15945575 C1CCC(CC1)NC(=O)[C@H](CSCC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O 1 4.248 2 2 -16.9765862600056 15945574 CC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=C(C=C3)Cl)SCC(=O)NCC4CCCO4 1 5.102 3 2 -13.1803035314482 15945573 CCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.613 1 3 -7.35714997382299 15945571 CN(C)CC1=CC=CC=C1SC2=CC=CC3=CC=CC=C32.Cl Cl- 1 4.93 1 0 3.14212106799965 15945570 C1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCC4=CC=CC=C4 1 2.678 3 3 -13.0130156070141 15945569 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCC4=CC=CC=C4 1 2.93 3 3 -14.4912996094528 15945568 CC1=CC(=C(C=C1)C)CSC2=NC3=C(N2CC(=O)NC4=CC(=C(C=C4)C)C)C=NC=C3 1 5.649 4 1 -11.9238246536576 15945567 CCC(C(=O)NC1CCCC1)N2C3=C(C=CN=C3)N=C2SCC4=CC=CC(=C4)C 1 5.023 4 1 -13.7108352158007 15945566 C1CN=C(N1)NCC2=CC=CC=C2SC3=CC=CC4=CC=CC=C43.I I- 1 4.059 3 0 -3.32656007386657 15945565 C1=CC=C(C=C1)CCN2C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4F.Br Br- 1 4.853 3 0 0.494964560162543 15945564 CC1=C(N=C(O1)C2=CC=CC=C2Cl)CN3C(=O)CN=C(C4=CC=CC=C43)C5=CC=CC=C5 1 4.937 3 2 14.7687292712232 15945563 CC(C)OCCCNC1=NC2=C(N=NN2C3=CC=CC=C31)C4=CC=CC=C4 1 3.103 5 1 -4.8587282039466 15945562 CC1=C(C=C(C=C1)N(C)C(=O)C2=CC3=C(C=C2)C(=C4CCCC4=N3)Cl)C 1 5.707 2 1 -0.330926443949394 15945561 CCOC1=C(C(=CC(=C1)CNC(C)C(C2=CC=CC=C2)O)Cl)OCC.Cl Cl- 1 4.147 1 3 -5.2406115169885 15945560 CC1=CC(=C(C=C1)NC2=C(N=C3N2C=CC=N3)C4=CC=C(C=C4)N5CCOCC5)C 1 5.044 5 1 0.304531352419405 15945558 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CC1=C(C(=CC=C1)C)C(=NCCCN(C)C)C2=CC=CC=C2.Cl Cl- 1 4.668 2 0 -3.56594287283459 15945546 C=CC[C@@H]1CC2=C(C=CC(=C2[C@H](N1)CC=C)Br)Br.Cl Cl- 1 4.872 1 0 -4.84922897123723 15945545 CCC(=NNC1=CC=C(C=C1)Cl)C2=CN=NC(=N2)SC 1 4.005 5 0 1.88259201493053 15945544 CC1=C(C(=NC2=CC(=NN12)C3=CC(=CC=C3)F)C)CCC(=O)NC(C)C4=CC5=C(C=C4)OCCO5 1 4.266 4 3 0 -14.7732928224785 15945543 CC1=CSC(=N1)NC(=O)CCC2=C(N3C(=CC(=N3)C4=CC(=CC=C4)F)N=C2C)C 1 3.376 5 1 -8.08882728477292 15945542 CC1=C(C(=NC2=CC(=NN12)C3=CC=CC=C3OC)C)CCC(=O)NC(C)C4=CC5=C(C=C4)OCCO5 1 4.044 4 4 0 -22.0481864645941 15945541 COC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4 1 4.498 1 3 0.406858170753518 15945540 COC1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=CC(=C3)OC)C(=O)C4=CC=CC=C4 1 4.481 1 4 0.886077718259078 15945539 CC1=C(C(=NO1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-] 1 3.319 4 4 0 -11.3335498401139 15945538 CC(C)C1=C(C(=NO1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-] 1 2.836 4 4 0 -3.58386417588851 15945537 CC(C)C1=C(C(=NO1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-] 1 4.448 4 4 0 -10.9133542426013 15945536 CC1=CC2=C(C=C1)OC(=O)C3=C2SC(=C3)C(=O)NCCCN4CCC5=CC=CC=C5C4 1 4.748 2 3 -12.3076908817291 15945535 CC1=CC2=C(C=C1)OC(=O)C3=C2SC(=C3)C(=O)N4CCC5=CC=CC=C5C4 1 4.753 1 3 -11.2578410996016 15945534 CC1C2=CC(=C(C=C2CCN1C(=O)C3=CC4=C(S3)C5=C(C=CC(=C5)C)OC4=O)OC)OC 1 5.098 1 5 -16.9398145284246 15945533 CC1=CC=C(C=C1)C(=O)N2C3C(C(N2)C4=CC=CC=C4F)C(=O)N(C3=O)C5=CC=CC=C5OC 1 3.465 3 4 0 -3.92149171463781 15945532 CC1=CC=C(C=C1)C(=O)N2C3C(C(N2)C4=CC=CC=C4F)C(=O)N(C3=O)C5=CC=CC(=C5)C 1 3.968 3 3 -0.520188479566543 15945531 CC1=CC=C(C=C1)C(=O)N2C3C(C(N2)C4=CC=C(C=C4)F)C(=O)N(C3=O)C5=CC=C(C=C5)C 1 3.968 3 3 -6.24588201902021e-003 15945530 CCOC1=CC=C(C=C1)N2C(=O)C3C(NN(C3C2=O)C(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5F 1 3.814 3 4 0 -3.02112779481515 15945529 C1CCC2(CC1)N=C(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5 1 4.381 3 3 -10.57128133867 15945528 CC1=CC=C(C=C1)C2=NC3(CCCCC3)N=C2SCC(=O)NC4=CC5=C(C=C4)OCCO5 1 4.867 3 3 -10.0967649223548 15945527 C1CCCC2(CC1)N=C(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5 1 4.837 3 3 -10.57128133867 15945526 CCOC1=CC=C(C=C1)C2CC3=C(C(=O)C2)C(=C(N3)C(=O)OCC)C4=CC=CC=C4 1 4.945 1 4 -7.35070831740988 15945525 CCN(CC)C1=NC=NC(=C1)C2=CC=CC=C2.Cl Cl- 1 2.777 3 0 0.188553659737814 15945523 CC1=CC(=C(C(=C1)C)C(C2=CC=CC=C2)OCCCNC(C)C)C.Cl Cl- 1 5.096 1 1 -7.49269710289001 15945522 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=C(N3CC5=CC=C(C=C5)F)C=NC=C4 1 5.439 4 1 -16.5357243371158 15945521 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=C(N3CC5=CC=C(C=C5)F)C=NC=C4 1 4.228 5 1 -11.0895783583426 15945520 CCC(C)NC(=O)C1=CC=C(C=C1)CSC2=NC3=C(N2CC4=CC=C(C=C4)F)C=NC=C3 1 5.314 4 1 -21.20901311164 15945519 C1CCC(C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=C(N3CC5=CC=C(C=C5)F)C=NC=C4 1 5.467 4 1 -15.069455420604 15945518 C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC4=C(C(=O)C4=O)N5CCCC5 1 2.5 4 3 0 -3.00223156056172 15945517 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCC4=CC=CC=C4Cl 1 3.594 3 3 -15.0401241351567 15945516 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCCC4=CC=C(C=C4)C 1 3.738 3 3 -13.933737980372 15945515 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NC4=CC=CC=N4 1 2.312 4 3 0 -6.07867078527695 15945514 C1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCC4=CC=CC=C4Cl 1 3.343 3 3 -13.561840132718 15945513 C1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCCC4=CC=C(C=C4)Cl 1 3.664 3 3 -10.6334552873465 15945512 C1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCCC4=CC=CC=C4 1 2.999 3 3 -13.2702688827129 15945511 C1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCC4=CC=C(C=C4)Cl 1 3.343 3 3 -10.3762020116477 15945510 CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4F)CC5=CC=CC=C5 1 4.613 3 4 0 -13.3403842065768 15945509 CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC=C(C=C4)C)CC5=CC=CC=C5 1 4.894 3 4 0 -11.980660635095 15945508 CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC=CC(=C4)C)CC5=CC=CC=C5 1 4.894 3 4 0 -10.7864433749047 15945507 CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC4=C(OC(=N4)C5=CC=CC=C5)C 1 5.627 3 2 17.3656953860865 15945506 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)N2C3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4 1 5.151 3 2 -1.65939261555532 15945505 CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)C(=O)N(C2=O)CC=C 1 4.454 3 3 -15.932522554554 15945504 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C 1 4.776 2 3 -3.48185908981465 15945503 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=C(C(=O)OC34CCCCC4)C 1 4.525 2 3 -1.95083342308583 15945502 CC1(CC(C2=C(O1)C=CC(=C2)OC)SCC(=O)NCC3=CC=CC=C3)C 1 3.481 1 3 -13.8611351065935 15945501 CC1(CC(C2=C(O1)C=CC(=C2)OC)SCC(=O)NCCC3=CC=C(C=C3)Cl)C 1 4.466 1 3 -10.6327679993614 15945500 CC(C)NC(=O)[C@H](CSCC1=CC=CC=C1)N2CC3=CC=CC=C3C2=O 1 3.116 2 2 -19.0792986345108 15945499 CCCCNC(=O)[C@H](CSCC1=CC=CC=C1)N2CC3=CC=CC=C3C2=O 1 3.718 2 2 -19.2400209654216 15945498 CCC(C)NC(=O)[C@H](CSCC1=CC=CC=C1)N2CC3=CC=CC=C3C2=O 1 3.639 2 2 -19.6299570845882 15945497 CC(C)CCNC(=O)[C@H](CSCC1=CC=CC=C1)N2CC3=CC=CC=C3C2=O 1 3.97 2 2 -20.5528712982228 15945496 CC1=C(C=C(C=C1)NC2C3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)C)F)C(=O)N2CCOC)F 1 4.691 3 3 -10.9281769113015 15945495 COCCN1C(C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)F)NC4=CC(=CC=C4)F 1 3.719 3 3 -10.8805785716612 15945494 CC1=CSC(=N1)NC(=O)CCC2=C(N3C(=CC(=N3)C4=CC=C(C=C4)Cl)N=C2C)C 1 3.835 5 1 -9.66343061198564 15945493 CC1=C2C(=CC=C1)OCC3=C2SC(=C3)C(=O)N4CCC5=CC=CC=C5C4 1 4.888 1 2 -8.30249497849524 15945492 COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)NC4CCCCC4 1 2.907 3 4 0 -10.4344950423374 15945491 CC1CCC(CC1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)NC4CCCCC4 1 3.45 3 3 -11.3845535300952 15945490 CC1=CC(=CC=C1)CSC2=NC3=C(N2CC(=O)NC4=CC(=CC(=C4)C)C)C=NC=C3 1 5.162 4 1 -11.8223895505084 15945489 CCC(C(=O)NC1CCCCC1)N2C3=C(C=CN=C3)N=C2SCC4=CC=CC(=C4)C 1 5.48 4 1 -14.0653037299688 15945488 CC1=CC=C(C=C1)CSC2=NC3=C(N2CC(=O)NC4=CC(=CC(=C4)C)C)C=NC=C3 1 5.162 4 1 -12.2743303278827 15945487 CCC(C(=O)NC1CCCCC1)N2C3=C(C=CN=C3)N=C2SCC4=CC(=CC=C4)F 1 5.199 4 1 -13.4527029171926 15945486 CCC(C(=O)NC1CCCCC1)N2C3=C(C=CN=C3)N=C2SCC4=CC=C(C=C4)F 1 5.199 4 1 -13.9452053860995 15945485 CC1=CC(=C(C=C1)C)CSC2=NC3=C(N2CC(=O)NC4=CC(=CC(=C4)C)C)C=NC=C3 1 5.649 4 1 -12.0798654100849 15945484 CCC(C(=O)NC1CCCCC1)N2C3=C(C=CN=C3)N=C2SCC4=CC=CC=C4F 1 5.199 4 1 -16.5238443878019 15945483 CC1=CC=C(C=C1)NC2=C(N=C3N2C=CC=N3)C4=CC=C(C=C4)N5CCOCC5 1 4.557 5 1 0.7138039130196 15945482 CC1=CC(=CC=C1)NC2=C(N=C3N2C=CC=N3)C4=CC=C(C=C4)N5CCOCC5 1 4.557 5 1 2.89679649135654 15945481 CC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3)SCC(=O)NCC4CCCO4 1 4.437 3 2 -14.6382150634918 15945480 CC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C)SCC(=O)NCC4CCCO4 1 4.924 3 2 -15.8286211642525 15945479 COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3)SCC(=O)NC4CCCC4 1 4.978 3 2 -9.74725516996892 15945478 COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)OC)SCC(=O)NC4CCCC4 1 4.962 3 3 -10.9376612707296 15945477 COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)F)SCC(=O)NC4CCCC4 1 5.184 3 2 -9.39946530304683 15945476 COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3)SCC(=O)NC4=NC=CS4 1 4.15 4 2 -8.4877305915598 15945475 COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)Cl)SCC(=O)NC4=NC=CS4 1 4.814 4 2 -7.02981905951614 15945474 C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)N(C2=O)CC5=CC(=CC=C5)F 1 4.315 3 4 0 -12.4726023758676 15945473 CC(C)(C)C1CCC(CC1)C(=O)N2C3=C(C=C4C=CC(=CC4=N3)OC)C(=N2)N 1 4.917 4 2 -7.07737002647157 15945472 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=C5CCCCC5=N4)Cl 1 5.228 3 2 -0.264876196396812 15945471 C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F)C(=C2C1)Cl 1 5.449 3 1 2.64096495268663 15945470 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=C5CCCCC5=N4)Cl 1 4.984 3 2 -1.33638260557689 15945469 C1CCN(CC1)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=C5CCCCC5=N4)Cl 1 4.643 3 1 0.161918922595106 15945468 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)Cl 1 3.771 3 3 -5.91385643951162 15945467 C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5)C(=C2C1)Cl 1 5.103 3 1 3.89779640379444e-002 15945466 CCOC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)CN3C4=C(C=N3)C(=O)OC5=C4C=C(C=C5)C 1 3.872 4 5 0 -6.57111161317178 15945465 CCC1=CC=C(C=C1)N(CC)C(=O)C2=CC3=C(C=C2)C(=C4CCCC4=N3)Cl 1 6.026 2 1 -3.18649151832768 15945464 CCN(C1=CC=CC(=C1)C)C(=O)C2=CC3=C(C=C2)C(=C4CCCC4=N3)Cl 1 5.57 2 1 -3.51118243076487 15945463 CCN(C1=CC(=C(C=C1)C)C)C(=O)C2=CC3=C(C=C2)C(=C4CCCC4=N3)Cl 1 6.056 2 1 -4.03401106222911 15945462 CCOCCCNC1=NC2=C(N=NN2C3=CC=CC=C31)C4=CC=CC=C4 1 2.726 5 1 -5.10843229448754 15945461 COCCCNC1=NC2=C(N=NN2C3=CC=CC=C31)C4=CC=C(C=C4)Cl 1 3.041 5 1 -1.13559225184338 15945460 CC1=CC(=CC=C1)CNCC2=CC=CC=C2.Cl Cl- 1 3.437 1 0 2.63362905259618 15945459 COC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=C(C=C3)Cl)SCC(=O)NC4=NC=CS4 1 4.814 4 2 -7.02981905951614 15945458 CC1=CC=CC=C1C(=NCCCN(C)C)C2=CC=CC=C2C.Cl Cl- 1 4.668 2 0 -4.23431602110971 15945457 CC1=CC(=CC=C1)CSC2=NC3=C(N2CC(=O)NC4=CC(=C(C=C4)C)C)C=NC=C3 1 5.162 4 1 -11.4052183569811 15945456 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCCC4=CC=CC=C4 1 3.251 3 3 -14.7485528851516 15945455 C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C3=NC=CN3 1 3.836 2 0 -0.798542548625871 15945453 CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCCNC(C)C.Cl Cl- 1 4.123 1 1 -5.73798179100753 15945452 CC1=C(C(=NO1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-] 1 1.707 4 4 0 -3.76142587615274 15945451 CC1=CC2=C(C=C1)OC(=O)C3=C2N(N=C3)CC(=O)NC4=CC(=NO4)C5=CC(=CC=C5)F 1 3.745 4 4 0 -1.99532023452008 15945450 CC1=CC=C(C=C1)C(=O)N2C3C(C(N2)C4=CC=C(C=C4)F)C(=O)N(C3=O)C5=CC(=C(C=C5)C)C 1 4.454 3 3 0.746555921595296 15945449 CC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=CC=C3)SCC(=O)NCC4CCCO4 1 4.437 3 2 -14.6382150634918 15945448 CC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=C(C=C3)OC)SCC(=O)NC4CCCC4 1 5.464 3 2 -10.1113423285121 15945447 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NCCC3=CC=C(C=C3)C 1 4.36 1 3 -7.68370748613198 15945446 CC1(CC(C2=C(O1)C=CC(=C2)OC)SCC(=O)NCCC3=CC=CC=C3)C 1 3.802 1 3 -13.2695815947278 15945445 CCC1=CC=C(C=C1)NC2C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)CC)C(=O)N2CCOC 1 5.193 3 3 -12.0564480900867 15945444 CC1(C(NCCC1=O)C2=CC(=C(C(=C2)OC)OC)OC)C.Cl Cl- 1 1.991 1 4 0 -7.80649210288206 15945443 CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)NC(C)C2=CC=C(C=C2)F 1 1.919 2 4 0 -12.6142612410951 15945441 CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)O.Cl Cl- 1 3.452 1 2 -2.97721123261277 15945440 C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.648 3 6 0 -22.0684593659566 15945439 C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C/C(=O)C3=CN=CC=C3.Cl Cl- 1 4.118 1 2 -1.56350286891204 15945438 CC(C1=CC=C(C=C1)F)NC(=O)CC2=CC=CC=C2 1 3.239 1 1 -7.64664830790498 15945436 CCC1(C(=O)N(C(=O)N1)CC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3 1 3.038 2 4 -5.48433062339843 15945435 C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/O)/NN/C=C/3\C=CC(=O)C(=O)C3=O 1 1.695 2 4 0 -2.75195109560634 15945434 CC(C)[C@@H](C(=O)OCC(=O)N)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-] 1 0.226 4 8 0 -30.0080566944285 15945433 COC1=C/C(=C/NNC(=O)C23CC4CC(C2)CC(C4)C3)/C=C(C1=O)Br 1 2.038 2 3 0.952978324663924 15945431 COC(=O)C1CCN(CC1)C(=O)COC(=O)[C@@H]2CC(CN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4)O 1 -0.462 2 10 0 -18.7493591632735 15945430 CC(C)(C)NN/C=C/1\C=C(C=C(C1=O)[N+](=O)[O-])Cl.Cl Cl- 1 0.723 3 3 0 -3.05220081083922 15945429 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN3CC4=CC=CC=C4C3=N.Br Br- 1 1.919 4 3 0 -21.291542564383 15945427 CC1=CC(=C(N1CC2CCCO2)C)C(=O)CN3C(=O)C(NC3=O)(C)C4=CC=CC=C4 1 2.281 3 4 0 -17.9356061172927 15945426 CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4S3 1 3.886 2 3 -9.47377889953484 15945425 CC1=CC(=C(C=C1NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=CC=C3)OC)[N+](=O)[O-] 1 2.076 4 6 0 -12.6933491900827 15945423 CC1=CC(=C(C=C1)C(C)C)OCC2=CC=C(C=C2)C(=O)NN/C=C/3\C=CC=C(C3=O)O 1 3.716 2 4 -3.98337020537171 15945422 C1CN(CCN1C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)S(=O)(=O)C4=C(C=CC=C4F)F 1 3.876 3 3 -18.4445081925369 15945421 C1CC(OC1)COC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3 1 2.964 1 3 -13.4122682986579 15945420 CC1=CC=C(C=C1)S(=O)(=O)N2CC(C[C@H]2C(=O)OCC(=O)C3=CC=CC=C3)O 1 1.901 1 6 0 -15.0668298669218 15945419 C1COCCN1CCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-].Cl Cl- 1 1.188 3 5 0 -9.54914476328081 15945418 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NN=CN3C 1 2.826 5 3 0 -27.1954692829078 15945417 CC1=CC(=O)C(C(=O)O1)C(=O)/C=C/C2=CC(=C(C=C2)OC)O 1 1.86 0 6 0 0.257235420209841 15945416 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC=NC4=CC=CC=C43 1 3.123 4 4 0 -22.3742094043574 15945415 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NN=CS3 1 3.188 4 3 0 -21.5576620720921 15945414 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)[C@@H]4CCCN4S(=O)(=O)C5=CC=CC=C5F 1 3.368 2 5 0 -17.1768019741806 15945413 C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4 1 3.117 2 5 0 -15.2085581995237 15945410 COC1=C/C(=C/NNC(=O)OC)/C=C(C1=O)[N+](=O)[O-] 1 -0.585 3 6 0 -3.00097440659124 15945409 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CCSC2=CC=C(C=C2)Cl 1 3.735 2 3 -14.4674752070748 15945408 C1=CC=[N+](C=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Cl.[Cl-] Cl- 1 4.705 4 2 -3.73887140499251 15945407 CC1=CC=C(O1)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.427 2 5 0 -18.9868423842504 15945406 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)CC3=CC=CC=C3 1 2.314 3 4 0 -18.6407767185662 15945404 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F 1 4.437 3 3 -19.7503655973296 15945403 C1CCN(CC1)C2=C(C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-] 1 4.253 3 5 0 -12.9093956455337 15945402 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC2=C(C=C(C=C2)C#N)OC)C 1 2.613 3 5 0 -20.1577249420067 15945400 C/C(=C\1/C=CC(=CC1=O)OC)/NNC2=C(C=C(C=N2)Cl)Cl 1 2.691 3 2 1.76841207691138 15945398 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC2=C(C=C(C=C2)Cl)Br 1 4.163 2 4 -14.2844808504467 15945397 CC1=C(C=C(C=C1)NC(=O)COC2=C(N=C(C=C2)C)[N+](=O)[O-])S(=O)(=O)N3CCCCC3 1 2.535 4 6 0 -20.1411677679569 15945396 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Br 1 3.677 2 4 -12.9606053812366 15945395 COC1=C(C=C(C=C1)/C=C/C(=O)NC2CCCCCCC2)S(=O)(=O)N3CCOCC3 1 3.064 2 5 0 -22.431814831612 15945394 CC1=CC(=C(C=C1NC(=O)CN2CCN(CC2)C3=CC=CC=C3O)OC)[N+](=O)[O-] 1 2.708 4 5 0 -5.44021134938914 15945393 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C4=CC=CC=C4 1 4.737 3 3 -18.0503653183351 15945392 CN(CC(=O)NC1=CC=C(C=C1)F)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-] 1 2.762 4 5 0 -19.3736774688045 15945391 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC4=C(S3)CCCC4 1 2.739 2 5 0 -24.3699975031951 15945390 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(F)F)S(=O)(=O)N(C)C 1 3.023 2 4 -9.33311838777792 15945389 COC1=CC=C(C=C1)OC2=C(C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)O)[N+](=O)[O-] 1 4.898 1 6 0 4.30179396804754 15945388 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 2.823 3 6 0 -18.8980731528127 15945387 CC1=CC=C(O1)/C=C/C(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.411 2 6 0 -18.7338674180703 15945386 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 1.435 4 5 0 -21.3248169629246 15945385 CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 3.543 3 3 -19.905431634588 15945384 CC1=C(C=C(C=C1)NC(=O)COC2=C(N=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3 1 2.253 4 6 0 -19.2266360982311 15945383 CC1=C(C=C(C=C1)NC(=O)CC2=C(C=CC=C2Cl)Cl)S(=O)(=O)N(C)C 1 3.581 2 3 -13.3945896911752 15945382 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C(=C3)OC)O)OC 1 4.401 1 6 0 -0.531849187141869 15945381 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.407 4 5 0 -17.8014274247983 15945380 CC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC=C3F)S(=O)(=O)N4CCOCC4 1 1.676 3 6 0 -22.2025878481992 15945379 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C4=CC=CC=C4 1 4.515 3 3 -16.0890106344134 15945378 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC(=CC=C3)OC 1 4.659 1 4 -0.196181002007142 15945377 COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)O)F 1 3.632 0 4 5.5172555333038 15945376 CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N(C)C 1 2.579 3 5 0 -18.0545137098975 15945375 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN3CCN(CC3)C.Cl Cl- 1 0.269 4 4 0 -20.3688187432249 15945374 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC2=C(C=C(C3=C2N=C(C=C3)C)Cl)Cl 1 4.062 3 4 0 -15.3236548740606 15945373 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C 1 3.083 4 3 0 -18.9361471584947 15945372 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)/C=C/C4=CC=C(C=C4)F 1 2.715 3 4 0 -17.4703219162591 15945371 C1CCC(CC1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 4.39 2 3 -16.6327513617064 15945370 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F 1 3.951 3 3 -22.3777454962198 15945369 CC1=C(C=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 3.959 3 5 0 -21.6002984297615 15945368 CCN(CC)C1=CC(=O)/C(=C/NN2CCOCC2)/C=C1 1 4.3e-002 3 2 0 -5.94442887236583 15945367 COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.741 2 6 0 -20.7330599755765 15945366 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC2=C(C=C(C=C2)Br)Cl 1 4.163 2 4 -15.8569433477803 15945365 CC1CN(C(=NC2=CC(=CC=C2)S(=O)(=O)N(C)C)S1)C(=O)C3=CC=C(C=C3)C 1 3.865 3 3 -11.6843108240115 15945364 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)/C=C/C4=CC=CC=C4 1 2.51 3 4 0 -18.3541427588087 15945363 CN1CCN(CC1)NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3.Cl Cl- 1 0.262 4 4 0 -18.1034096396834 15945362 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F.Cl Cl- 1 3.1 3 6 0 -14.4368689274437 15945361 CC1CN(C(=NC2=CC(=CC=C2)S(=O)(=O)N(C)C)S1)C(=O)C3=CC=CC=C3 1 3.379 3 3 -12.5773526180456 15945360 CC1=C(C=C2C(=C1)OC=C2CC(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4)C(C)C 1 3.421 2 6 0 -20.5871709938245 15945359 CC(C)[C@@H](C(=O)OCC(=O)N(C(C)C)C(C)C)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-] 1 2.09 4 8 0 -31.51180531784 15945358 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4 1 2.227 2 6 0 -18.9599412138288 15945357 CC1CN(C(=NC2=CC(=CC=C2)S(=O)(=O)N(C)C)S1)C(=O)C3=CC(=CC(=C3)C)C 1 4.352 3 3 -12.7063508999756 15945356 CC1=NN=C(S1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 2.436 4 3 0 -25.1730347531801 15945355 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 2.791 3 5 0 -18.321275641133 15945354 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4 1 2.828 2 5 0 -21.9414356136875 15945353 CCOC1=C/C(=C/C(=C2NC3=CC=CC=C3N2)C(=O)N4CCOCC4)/C=C(C1=O)Cl 1 2.271 3 4 0 -9.7304770874152 15945351 CCO.CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54)C CCO 1 4.98 3 3 -17.1147710696687 15945350 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)C4=CC=CC=C4NS(=O)(=O)C5=C(C=C(C=C5)F)C.Cl Cl- 1 4.247 3 3 -2.17806645324483 15945349 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN/C=C/2\C=CC=C(C2=O)O 1 0.283 3 5 0 -17.7522715089162 15945348 CC1=C(C=C(C=C1)NC(=O)CC2=CC=CC=C2Cl)S(=O)(=O)N(C)C 1 2.917 2 3 -12.1283783141396 15945347 COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])Cl 1 3.956 3 5 0 -13.7635507060767 15945346 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CN=C(C=C3)OC 1 2.664 3 5 0 -16.2826463447996 15945345 C1COC2=C(O1)C=CC(=C2)NCC3=CC=CS3.Cl Cl- 1 2.748 1 2 -6.70205517598543 15945344 CCN(CC)C1=CC(=[N+]2CCCC2)CC(C1)(C)C.[I-] I- 1 2.906 2 0 -4.40421907374497 15945342 CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC2CCS(=O)(=O)C2 1 1.126 2 6 0 -29.0806796350059 15945341 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C3CCC/C(=C/C4=CC5=C(C=C4)OCO5)/C3=NC6=CC=CC=C62 1 4.897 3 7 0 -15.2174934769745 15945340 COC1=C/C(=C/NNC2=C3C4=C(CCC4)SC3=NC=N2)/C=CC1=O 1 2.208 4 2 -3.1783794872665 15945339 CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC2CCS(=O)(=O)C2 1 1.126 2 6 0 -29.2585305092638 15945338 COC1=CC=C(C=C1)NC2=CC(=C3C=CC(=O)C=C3)OC4=CC=CC=C42.Cl Cl- 1 3.733 1 3 0.946129539583239 15945337 CC1=CC(=C(C=C1)C(C)C)OCC2=CC=C(C=C2)C(=O)NN/C=C\3/C=CC(=O)C(=C3)O 1 3.716 2 4 -2.38659368372828 15945336 C1C/C(=C/C2=CC3=C(C=C2)OCO3)/C4=NC5=CC=CC=C5C(=C4C1)C(=O)OCC(=O)NC6=CC=C(C=C6)S(=O)(=O)N 1 4.413 3 7 0 -14.3071654747388 15945335 CN(C)C(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2.Cl Cl- 1 3.616 1 1 -0.132582309575597 15945334 CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C4=NN=C(SC4)NC5CC5.Cl Cl- 1 2.897 6 1 0 -14.5897735852092 15945333 CC(C)[C@@H](C(=O)OCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=CO3)NS(=O)(=O)C4=CC=CC=C4 1 4.166 3 6 0 -24.8897318536907 15945331 CC1CCCCC1NC(=O)NC(=O)CCl.Cl Cl- 1 1.864 2 2 0 -10.4497029601363 15945330 CC1=CC(=NC(=N1)N/N=C\2/C3=C(C=CC(=C3)Br)N(C2=O)CC4=CC=CC=C4)C 1 3.737 5 1 0.780081919189249 15945329 CC1=CC(=[N+](C2=C1C(=O)NC(=O)N2)C3=CC=C(C=C3)C(C)C)C.[I-] I- 1 3.696 3 2 -11.6306195403808 15945327 CC(C)C(C(=O)NN=CC1=C(/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/CC1)N3CCOCC3)NC(=O)C45CC6CC(C4)CC(C6)C5 1 4.663 5 5 0 -17.6168264995923 15945326 C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)CSC2=NC=NN2.Cl Cl- 1 1.952 5 3 0 -15.4522862479889 15945325 C1COCCN1C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C5=CC=CC=C5.Cl Cl- 1 5.331 2 1 5.05653291069809 15945324 CC(C(=O)NN=CC1=C(/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/CC1)N3CCOCC3)NC(=O)C45CC6CC(C4)CC(C6)C5 1 3.82 5 5 0 -13.7977409575109 15945323 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=C(N3C5=CC=C(C=C5)F)C=CC(=C4)[N+](=O)[O-] 1 5.207 4 5 0 -9.56450648778453 15945322 CC(C)NC1=NN=C(S1)SCC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O 1 3.064 4 3 0 -18.9496877666467 15945321 COC1=CC=C(C=C1)OC2=C(C=C(C=C2)/C=C/C(=O)C3=CC(=CC=C3)OC)[N+](=O)[O-] 1 5.123 1 6 0 0.457877096748384 15945320 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[N+]23CCN(CC2)CC3)Cl.[Cl-] Cl- 1 -0.842 4 3 0 -10.6774421026451 15945319 C1CCC2=[N+](CC1)C3=C(N2CC(=O)NC4=CC=CC(=C4)C#N)C=C(C=C3)C(F)(F)F.[Cl-] Cl- 1 4.874 4 1 -3.35206728397204 15945318 CCC1=CC(=CC=C1)NC(=O)CN2C3=[N+](CCCCC3)C4=C2C=C(C=C4)C(F)(F)F.[Cl-] Cl- 1 5.937 3 1 -0.602258870971555 15945317 [B-](F)(F)(F)F.CCN1C=C[N+](=C1P(C2=CC=CC=C2)C3=CC=CC=C3)C F[B-](F)(F)F 1 5.124 2 0 -0.949878577021169 15945316 C1C2=CC=CC=C2C(=N)N1NC(=O)CC#N.Br Br- 1 0.28 4 1 0 -10.7187164058383 15945315 CCN(CC)CCN1CC2=CC=CC=C2C1=N.Br Br- 1 1.888 3 0 0 -5.96538981688569 15945314 CCOC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C)OC)OCC(=O)N3CCCCC3 1 3.583 2 5 0 -18.0486786801438 15945313 CC(C)(C)NC(=O)NC(=O)CN1C=CSC1=N.Cl Cl- 1 -0.173 4 2 0 -18.0926330642529 15945312 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC=C(C=C4)C#N 1 2.647 5 3 0 -17.0839602051812 15945311 CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.706 4 4 0 -28.2868938023242 15945310 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl 1 5.32 2 1 -11.6009090154527 15945309 CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3CCCC4=CC=CC=C34 1 3.945 5 1 -22.9433611604623 15945308 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC=C(C=C4)F 1 3.322 4 3 0 -15.3529999334962 15945307 C1=CC2=C(C=C1Cl)N/C(=C(\C=C\3/C=C(C=CC3=O)Cl)/Cl)/NC2=O 1 3.605 2 2 -2.59070992573878 15945306 CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 3.368 3 5 0 -32.6026818590652 15945305 CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)/C(=C(\C)/N)/C#N 1 2.608 4 2 -21.7293908727471 15945304 C1CS(=O)(=O)CC1NC(=O)CSC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-] 1 2.878 4 5 0 -18.2164552355298 15945303 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)OC)O 1 4.417 1 5 2.26936308978313 15945302 CC\1=NN(C(=O)/C1=C/NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4 1 1.18 4 4 0 -20.2458624794681 15945301 CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)/C(=C(\C)/N)/C#N 1 2.687 4 2 -21.464057435874 15945300 CC(C)NC(=S)NN/C=C/1\C=C(C=CC1=O)Br 1 1.734 3 1 0 -10.5748217363126 15945299 COC1=C/C(=C/NNC2=C3C=CC=CC3=NC2=O)/C=CC1=O 1 -6.1e-002 3 3 0 -2.08404062607184 15945298 CC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.93 4 3 0 -7.58307740858929 15945297 COC1=NC=C(C=C1)NC(=O)/C=C/C2=CC(=CC=C2)F 1 2.66 2 2 -4.04112112052885 15945296 COC1=CC=CC(=C1)/C=C(/CC(=O)NC2=CC=C(C=C2)N3CCOCC3)\C4=NC5=CC=CC=C5S4 1 4.919 3 3 -3.4023122687652 15945295 C/C(=C(/C#N)\C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCO)/N 1 0.881 4 3 0 -20.196934421785 15945294 CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CC(C)C.Cl Cl- 1 2.988 2 1 -5.0255073033125 15945293 COC1=C(C=CC(=C1)/C=C(\C#N)/C2=CC=CC=N2)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F.Cl Cl- 1 4.479 3 3 -12.2407762270279 15945292 CC(C(=O)NCC(=O)NC1=C(C(=C(C=C1)F)F)F)SC2=NN=NN2C3=CC=C(C=C3)Cl 1 3.261 6 2 0 -19.5878859873019 15945291 COC1=C(C=CC(=C1)/C=C(\C#N)/C2=CC=CC=N2)OCC(=O)NC3=C(C=CC=C3Cl)Cl.Cl Cl- 1 4.865 3 3 -15.8098112986889 15945289 CC(CN(C)CC1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)F.Cl Cl- 1 3.99 1 2 -1.58963567518146 15945288 C1=CC=C2C(=C1)C=C(O2)C(=O)/C=C\C3=CC=CC=C3OC(=O)C4=CC(=CC=C4)F 1 5.934 0 4 1.63292010401286 15945287 CC1=CC(=CC=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC5=CC=C(C=C5)C#N 1 5.64 5 0 -11.3382239602944 15945286 CC(C1=CC=CC=C1)NC(=O)COC(=O)/C(=C/C2=CC=CS2)/C3=CC=CS3 1 4.559 1 3 -13.6202920580441 15945285 CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)/C(=C(\C)/N)/C#N 1 2.016 4 3 0 -23.8484665157746 15945284 COC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=NC=CC=N3)O.Cl Cl- 1 1.176 4 3 0 -0.216230192403057 15945283 CC(C)[C@@H](C(=O)OCC(=O)N1CC2(CC1CC(C2)(C)C)C)NC(=O)C3=CC=CC=C3 1 3.379 2 4 -28.993715006376 15945281 CC1=CC(=[N+](C2=C1C(=O)NC(=O)N2)C3=CC=C(C=C3)F)C.[I-] I- 1 2.707 3 2 -11.2022022115672 15945280 C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)NNC(=O)C3=CC(=CC=C3)Cl 1 1.685 3 4 0 -12.0223738286755 15945279 C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2/C=C\C(=O)C3=CC4=CC=CC=C4O3 1 5.728 0 4 0.870183427296925 15945278 C1COC(=O)C1SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Cl 1 4.379 3 2 -5.98697691805636 15945277 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 1.779 4 4 0 -8.91143946197325 15945276 CC(C(=O)NN=CC1=C(/C(=C\C2=CC=CC=C2)/CC1)N3CCOCC3)NC(=O)C45CC6CC(C4)CC(C6)C5 1 3.926 4 3 0 -11.2889915706374 15945275 C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)NCCN3C(=O)/C(=C/C4=CN=CC=C4)/SC3=O 1 3.207 3 4 0 -10.5927658310128 15945274 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)N(C)C4CCS(=O)(=O)C4 1 2.095 5 3 0 -22.8182264992074 15945273 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=C3CCC/C(=C/C4=CC5=C(C=C4)OCO5)/C3=NC6=CC=CC=C62 1 6.68 2 5 0 -10.9536907487044 15945272 CCOC1=C/C(=C/C=C\2/C=CC3=C(N2)C(=CC=C3)[N+](=O)[O-])/C=CC1=O 1 2.884 2 4 -1.64008131096287 15945270 CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CSC2=NN=C(S2)NC3=CC=CC(=C3)C 1 3.631 5 2 0 -18.8744794506112 15945269 COC1=C(C=CC(=C1)/C=C(\C#N)/C2=CC=CC=N2)OCC(=O)NC3=CC=C(C=C3)Br.Cl Cl- 1 4.285 3 3 -16.0040177404209 15945268 COC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=NC=CC=N3)O.Cl Cl- 1 1.176 4 3 0 -0.757953574904362 15945267 C1CC(OC1)CN2C(=CSC2=NC3=CN=CC=C3)C4=CC=CC=C4.Cl Cl- 1 2.795 3 1 -6.07251089880019 15945266 CCC1=CC=CC(=C1NC(=O)COC(=O)C2=C3CCC/C(=C/C4=CC=CS4)/C3=NC5=CC=CC=C52)C 1 7.322 2 3 -11.2107766963886 15945265 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)N(CC)C4CCS(=O)(=O)C4 1 2.444 5 3 0 -22.8629417767737 15945264 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4CCS(=O)(=O)C4 1 1.889 5 3 0 -21.8097131022972 15945263 CC1=CC=C(C=C1)N2C(=NN=N2)SC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54 1 5.554 5 1 -11.2043551580034 15945262 CCCN(CCC)C1=CC(=[N+]2CCCC2)CC(C1)(C)C.[I-] I- 1 3.953 2 0 -4.97803599526764 15945261 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4C(=O)C(NC4=O)(C)CC(C)C 1 3.264 3 5 0 -9.89624091832379 15945259 CCCNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CC=C3Cl 1 3.968 3 2 -17.5243300295573 15945257 CC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC=C3C(F)(F)F)S(=O)(=O)N4CCOCC4 1 2.413 3 6 0 -20.1756885162296 15945256 CC1=CC=C(C=C1)C(=O)NNC(=O)CCN2C(=O)C3CCCCC3C2=O 1 1.507 3 4 0 -14.4952872728202 15945255 CCOC(=O)C1=C(/C(=C\2/CSC(=NN2)NC3=CC=CC=C3OC)/N=C1C)C 1 2.408 4 3 0 -14.0464569907173 15945254 CC1=CC(=CC=C1)[N+]2=C(C=C(C3=C2NC(=O)NC3=O)C)C.[I-] I- 1 2.988 3 2 -9.41613146138893 15945253 CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N(C)CC2=CC(=C(C=C2)OC)OC 1 3.55 3 5 0 -8.83780531685133 15945252 C1CC(C2=CC=CC=C2C1)NC(=O)COC3=C4C=CSC4=NC=N3 1 3.293 3 2 -9.75436149495579 15945251 C1=CC=C2C(=C1)NC(=N2)/C(=C\C3=CC=CS3)/C#N 1 3.53 3 0 -1.85849483571229 15945250 COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C4N3C=CC=C4 1 4.027 4 2 -14.9514532670327 15945249 CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)CCl.Cl Cl- 1 2.813 2 1 -5.50150841152946 15945248 CC1=C(C(=NC2=CC3=C(C=C12)OCO3)C)C(=O)OCC=C.Cl Cl- 1 3.025 1 4 -6.85949980901251 15945247 C1COC(=O)C1SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Br 1 4.463 3 2 -6.33376618556874 15945246 CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)N)NC(=O)C2=CC(=CC(=C2)OC)OC 1 1.678 3 7 0 -26.6657587864097 15945245 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)/C(=C/C4=CC=CC=C4)/NC(=O)C 1 2.889 2 4 -13.6505273990624 15945244 C1C/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)NC5=CC=CC=C5 1 5.893 2 3 -8.68993315502021 15945243 CC1=C(C(=NC2=CC3=C(C=C12)OCO3)C)C(=O)OC(C)C.Cl Cl- 1 3.134 1 4 -4.93094470158945 15945242 CN(C)CCNC(=S)NC1=C(C=C(C=C1)Cl)Cl.Cl Cl- 1 3.979 3 0 -3.06550326671117 15945238 C1C/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)NC5=CC=CC=C5Cl 1 6.557 2 3 -8.53261474522072 15945237 C1CNCC2=C1N=C3C=CC(=CC3=C2C4=CC=CC=C4)Cl.Cl Cl- 1 3.953 2 0 3.61855740249871 15945236 CC(C(=O)N1CCCC2=CC=CC=C21)NC(C3=CC=CC=C3)C4=CC=CC=C4 1 4.837 2 1 -12.3012896628076 15945234 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)[C@H](CCC(=O)N)NC(=O)C3=CC=C(C=C3)F 1 0.995 4 6 0 -19.6348037243862 15945232 CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)SC3=NN=NN3C4=CC=CC=C4 1 4.439 5 1 -11.9440021720014 15945231 CC(C1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2 1 3.204 1 1 -7.48468693712952 15945230 CC1CCCCN1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 4.369 2 1 -7.73314003796044 15945229 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=CC3=CC=CC=C3C=C2 1 2.402 1 3 -14.3589445411617 15945228 CCN(CC)C1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3N2)\C(=O)N4CCOCC4 1 3.66 4 2 -9.17284884911879 15945227 COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3CCCC4=CC=CC=C34 1 3.353 5 2 0 -14.8570405309808 15945226 CCOC1=C(C=C(C=C1Cl)/C=C(/C2=NC3=CC=CC=C3N2)\C(=O)N4CCOCC4)OC 1 3.78 3 4 0 -8.17008899030506 15945224 COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CCNC(=O)C3CCCN3C(=O)C4=CC=CS4 1 2.804 3 5 0 -19.6842263805181 15945222 COC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC=C(C=C2)Br.[Cl-] Cl- 1 3.294 1 3 -1.50166873849877 15945221 C1CCC2=NN=C(N2CC1)/C(=C\C3=CC=CC=C3[N+](=O)[O-])/C#N 1 2.954 5 2 0 -15.0267790860226 15945220 C1CC(=O)N[C@@H]1C(=O)NC2=CC=CC(=C2)C3=NOC4(C3)C[C@H](N(C4)C(=O)/C=C/SC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC7=CC=CC=C7S6)C(=O)N 1 2.508 6 6 0 -6.78826861317388 15945219 CCC(C)NC(=O)COC1=CC=CC=C1[N+](=O)[O-] 1 2.017 2 4 -16.0961247225532 15945218 C1=CC=C(C=C1)CCC2C(=O)N(C(=O)N2)CC3=CC=CC4=CC=CC=C43 1 4.033 2 2 6.10338801083351e-002 15945217 COC(=O)C1=CC=C(C=C1)OC(=O)CCN2C(=O)C3CCCCC3C2=O 1 2.266 1 6 0 -13.4813455202584 15945216 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=CC=CC=C3Cl 1 4.695 1 1 -11.0624815547696 15945215 C1CCC2(CC1)N=C(NC(=N2)NC3=CC=C(C=C3)Br)N.Cl Cl- 1 3.098 5 0 0.936880295500394 15945214 C1=CC=C(C=C1)CCC2C(=O)N(C(=O)N2)CC3=CC=CC=C3Cl 1 3.789 2 2 -2.24619293721052 15945212 CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)C(C)C)/N=C2SC4CCOC4=O 1 5.389 2 3 -8.7554089226963 15945211 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2C=CSC2=N.Cl Cl- 1 0.571 4 4 0 -16.7151808418547 15945210 CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=CC(=C1)C(=O)C)NC(=O)OCC2=CC=CC=C2 1 3.011 2 6 0 -19.095742689871 15945209 CC1=CC(=CC=C1)NC2=NN=C(S2)SCC3CCCCO3 1 3.601 3 1 -9.2465629409483 15945208 CCOC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)C)C)OCC(=O)N3CCCCC3 1 4.085 2 4 -18.8900578961524 15945207 COCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.99 4 3 0 -17.418617613188 15945206 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=CC=CC=[N+]3C.[I-] I- 1 4.501 3 0 5.48584331881472 15945205 C[N+]1=CC=CC=C1N2CCN(CC2)C3=CC=CC=C3Cl.[I-] I- 1 4.015 3 0 4.0167251236316 15945204 C1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3N2)\C(=O)C4=CC=C(C=C4)Cl 1 5.767 2 1 2.34593348940614 15945203 CC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)NC)[N+](=O)[O-] 1 3.891 2 3 -2.67674997786025 15945202 C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C(=C(C=C3)Cl)Cl)Cl)C(=O)NCCC4=CC=CC=N4.Cl Cl- 1 6.06 3 1 -8.86947170571622 15945201 C1CN(CC2=CC=CC=C21)CC(COC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)O 1 4.943 1 2 -9.03902316466625 15945200 CCOC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C)C)OCC(=O)N3CCCCC3 1 4.085 2 4 -17.9063584828684 15945199 CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(S3)C=CC(=C4)Cl 1 4.55 2 3 -9.68005765165535 15945198 COC(=O)C1=CC=C(C=C1)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5=CC=CC=C5 1 5.13 4 2 -15.332422630738 15945197 CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3CCCCO3)C 1 4.087 3 1 -8.87346706888064 15945196 CC1=CC(=CC(=C1)OCC(=O)NC2CCCC3=CC=CC=C23)C 1 4.445 1 2 -7.15850934685943 15945195 C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)NCCN3C(=O)/C(=C/C4=CC=C(C=C4)OC(F)F)/SC3=O 1 3.625 3 5 0 -17.2803163469688 15945194 CC(C(=O)NC(=O)NC)OC(=O)C1=CC2=C(S1)CCCCC2 1 2.802 2 4 -13.0350429607155 15945193 C1C(O1)C[N+]2=C(NC(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 5.552 2 1 0.423559242804678 15945192 CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)[C@H](CCC(=O)N)NC(=O)C2=CC=C(C=C2)F 1 2.34 3 5 0 -18.0203329791712 15945191 CCC1=CC=C(C=C1)C2=NC(=CS2)CCl.Cl Cl- 1 3.968 1 0 4.22633316785732 15945190 C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl.[Cl-] Cl- 1 4.586 2 1 3.91622260804004 15945189 CCCCCCCCCCCCCCCC[N+]1=CC=CC2=CC=CC=C21.[I-] I- 1 9.437 1 0 3.14942694660174 15945188 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 4.64 3 3 -17.3317948622558 15945187 CC[N+]1=C(SC=C1C2=CC=C(C=C2)C)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C.[Br-] Br- 1 3.911 4 1 -7.14569894796843 15945186 CC1C(=O)/C(=C(/C)\NCC=C)/C(=O)O1 1 0.631 1 3 0 -10.232903464523 15945185 CC1=CC=C(C=C1)N2C(=CC(=C2C)C3=CSC(=N3)N)C.Cl Cl- 1 3.68 3 0 3.96583023517217 15945183 CC1=CC(=C(O1)C)C(=O)NN=C/C=C/C2=CC=CC=C2 1 2.438 2 2 -1.98595688113514 15945182 C1CCC(=NCC1)NN=CC2=CC=CC=C2[N+](=O)[O-].Cl Cl- 1 2.341 4 2 -6.29209226310736 15945181 CN(C=[N+](C)C)C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O.[Cl-] Cl- 1 2.418 2 2 -1.59529474251948 15945180 C1CC(C2=CC=CC=C2C1)NCC(COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)O 1 4.909 1 3 -3.80187022259597 15945179 C1=CC(=CC=C1C2=CSC(=[NH+]2)N)[N+](=O)[O-].[Br-] Br- 1 2.013 3 2 1.10605880419179 15945178 CC1=CC=CC=[N+]1CC(=O)/C=C\2/C(C3=CC=CC=C3N2C)(C)C.[Cl-] Cl- 1 3.821 2 1 5.61351978161335 15945177 CC1=CSC(=NC2=CC=CC=C2)N1CCO.Br Br- 1 1.813 2 1 0 -2.62220494084036 15945176 CCCC[N+]1=C(SC=C1C2=C(C=C(C=C2)Cl)Cl)NC3=CC=CC=C3.[Cl-] Cl- 1 6.641 2 0 4.38216895053884 15945175 COC1=CC=C(C=C1)C2=CN(C3=[N+]2C4=CC=CC=C4CC3)C5=CC=C(C=C5)OC.[Br-] Br- 1 6.013 2 2 2.54537751819639 15945174 CCCCCC[N+]1=C(SC=C1C2=C(C=C(C=C2)Cl)Cl)NC3=CC=CC=C3.[Cl-] Cl- 1 7.553 2 0 5.37497813539568 15945173 C1CC(=N)N(C1)CC(=O)C2=CC=C(C=C2)Br.Br Br- 1 1.893 2 1 0 -7.62344592002917 15945172 C1=CC(=C(C=C1Cl)Cl)CN2C=CSC2=N.Cl Cl- 1 2.969 2 0 -2.11127844519766 15945171 C1C(O1)C[N+]2=CNC(=C2C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.395 2 1 -0.145026071154534 15945169 C1CC(=N)N(C1)CC(=O)C2=CC=C(C=C2)Cl.Br Br- 1 1.809 2 1 0 -6.16678617492773 15945168 C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC5=CC=CC=N5.Cl Cl- 1 4.975 3 1 -7.86463331633419 15945167 COC1=CC=C(C=C1)CNC(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4 1 3.659 3 5 0 -20.3062736444999 15945166 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3CCCC4=CC=CC=C34 1 4.445 4 1 -16.1539500764374 15945165 CCOC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2C.[Cl-] Cl- 1 3.168 1 2 -4.17510131988349 15945164 CC1CCC2=C(C1)SC3=NC(=NC(=C23)OC4=CC=C(C=C4)C)CN5CCOCC5 1 4.982 3 2 -6.39586222005748 15945163 COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])OC 1 4.643 2 5 0 -0.942994249856529 15945162 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NN/C(=C\4/C=NC5=CC=CC=C54)/O3 1 5.331 3 2 -4.06078214935517 15945161 CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 4.38 3 2 -8.33232817641477 15945160 CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)/C(=C(\C)/N)/C#N 1 4.085 4 2 -20.4096820508176 15945159 CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC4CCOC4=O 1 4.029 2 3 -7.81951697645286 15945158 C1=CC=C2C(=C1)C=C(O2)C(=O)/C=C\C3=CC=CC=C3OC(=O)C4=CC=CC=C4F 1 5.934 0 4 2.79580533394931 15945157 CN1CCN(CC1)NC(=O)C23CC4CC(C2)CC(C4)C3.Cl Cl- 1 1.6 3 1 0 -0.66493287555974 15945156 CN1CCN(CC1)N=CC2=C(C(=CC=C2)Cl)Cl.Cl Cl- 1 2.85 3 0 5.65468156961011 15945155 CC(C)C(C(=O)NN=CC1=C(/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/CC1)N3CCOCC3)NC(=O)C45CC6CC(C4)CC(C6)C5 1 4.663 5 5 0 -17.0305310829916 15945154 C1CC2C(N(N=C2/C(=C/C3=CC=CC=C3)/C1)C(=O)CSC4=NC=NN4)C5=CC=CC=C5 1 4.563 5 1 -13.5905323382155 15945153 CCC1CCC2=C(C1)C=C(S2)C3=NN=C(N3CC=C)SCC(=O)NC(=O)N 1 3.703 5 2 0 -17.8871630075396 15945152 CC1CC(CN(C1)CC(=O)C2=CC=C(C=C2)OC(F)F)C.Br Br- 1 3.937 1 2 -4.73665261256764 15945151 COC1=CC=CC=C1CNC(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4 1 3.659 3 5 0 -22.8164392291849 15945150 C1CCN(CC1)CC(=O)C2=CC(=CC=C2)Br.Br Br- 1 3.241 1 1 -2.21320984009541 15945149 CC(C)[C@@H](C(=O)OCC(=O)NC(C)C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)OC)OC 1 3.06 2 6 0 -25.8315762137284 15945148 C1COC(=O)C1SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 4.379 3 2 -3.34762442128437 15945146 CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC(=CS2)C3=CC=CC=C3 1 4.489 3 1 -2.32118024838227 15945145 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=NC3=CC=CC=C3S2 1 3.441 4 4 0 -25.9204674829265 15945144 CC1=CC(=CC=C1)NC2=NN=C(S2)SCC(=O)NC3CCCC4=CC=CC=C34 1 4.445 4 1 -13.9709574981004 15945143 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)[C@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O 1 2.639 3 6 0 -20.2719718894521 15945142 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=C(C=CC=C3Cl)Cl 1 5.359 1 1 -8.49956255514145 15945141 COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=N2)SC3CCOC3=O)C4=CC(=CC=C4)OC 1 3.676 2 5 0 -9.26832199037562 15945139 C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/O)/NN=CC3=CC(=O)C(=O)C=C3 1 2.798 2 3 -3.53848677518975 15945138 CC(C)(C(=O)N[C@@H](CCSC)C1=NC2=CC=CC=C2N1)OC3=CC=C(C=C3)Cl 1 4.437 3 2 -4.93266827118907 15945137 C1CCN(CC1)CC(=O)C2=CC=C(C=C2)OC(F)F.Br Br- 1 3.298 1 2 -0.648541145323088 15945136 C1=CC=C2C(=C1)/C(=C\NC3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CO4)/C(=O)N(C2=O)C5=NC=C(C=C5)Cl 1 3.455 4 5 0 -8.77595644431122 15945135 CC1CCN(CC1)CC(=O)C2=CC=CC=C2Cl.Br Br- 1 3.409 1 1 -4.81513428548288 15945134 C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NCCN3C(=O)/C(=C\C4=CC=CC=C4)/SC3=O 1 2.82 3 4 0 -19.5405982149831 15945133 CC1=CC(=O)C(C(=O)O1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC 1 1.844 0 7 0 -2.61941077373324 15945132 CCN(CC)C1=CC(=O)/C(=C/NNC2=CC=C(C=C2)C)/C=C1.Cl Cl- 1 2.727 3 1 -0.285812751190878 15945131 C1C/C(=C/C2=CC3=C(C=C2)OCO3)/C4=NC5=CC=CC=C5C(=C4C1)C(=O)OCC(=O)NC6=CC=C(C=C6)C(=O)N 1 4.71 3 6 0 -12.7046042728062 15945130 CC1(C(=O)N(C(=O)N1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 1 2.554 3 4 0 -3.26293288282157 15945129 CCC1CCC2=C(C1)C=C(S2)C3=NN=C(N3CC=C)SCC(=O)NC4CCS(=O)(=O)C4 1 3.637 4 3 0 -27.3154354259251 15945128 CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F)C)C 1 5.352 3 2 -9.60124522075932 15945127 COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CCNC(=O)C3COC4=CC=CC=C4O3 1 2.761 2 6 0 -9.33779146290214 15945126 CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC3CCCC4=CC=CC=C34 1 4.445 4 1 -16.4329888218996 15945125 CCNC(=O)CSC1=NC2=C(N1C3=CC=CC(=C3)C(F)(F)F)C=CC(=C2)[N+](=O)[O-] 1 4.456 4 3 0 -8.46416948722334 15945123 CC1=CC=C(C=C1)C(=O)NC(C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)C.O H2O 1 4.544 3 4 0 -10.0301165165955 15945122 CC(C)(C)NN=C1CC(OC2=CC=CC=C12)C3=CC=CC=C3.Cl Cl- 1 3.799 2 1 -0.103563561804526 15945120 CCOC(=O)CCCNC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.6 2 7 0 -27.0967231869772 15945119 C1=CC(=CC(=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)N)C(F)(F)F 1 3.902 4 3 0 -4.44083419744932 15945118 CCOC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C)OCC(=O)N3CCCCC3 1 2.234 3 5 0 -19.2681064264824 15945117 CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 3.317 5 3 0 -15.8107687614127 15945116 CC(C(=O)N)SC1=NN=C(N1C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3Br 1 5.013 4 1 -0.364209485561745 15945115 C1=CC=C(C(=C1)NC(=O)C[N+]2=CC=CC(=C2)CNC(=O)C3=CC=C(C=C3)OC(F)F)Cl.[Cl-] Cl- 1 4.332 3 3 -9.13048602323018 15945114 COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O.Cl Cl- 1 3.218 3 4 0 -6.23540635572352 15945113 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC(=CS2)C3=CC=CC=C3 1 4.314 3 4 0 -9.37697942367888 15945112 C[C@@H](C(=O)OCC(=O)N1CC2(CC1CC(C2)(C)C)C)NC(=O)C3=CC=CC=C3Cl 1 3.201 2 4 -22.3398579233939 15945111 CC(CN(C)CC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)F.Cl Cl- 1 3.99 1 2 -0.816272666132025 15945110 CC1=CC(=CC=C1)N/C=C\2/C(=O)C3=C(N2)C=CC(=C3Cl)Br 1 4.201 2 1 -3.10466945246891 15945109 CC1=C(C=C(C=C1)Cl)NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3 1 4.033 2 3 -14.3940617500541 15945108 C1CC(C2=CC=CC=C2C1)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CS4 1 4.226 2 3 -14.6876877213551 15945107 CC1=C(C2=CC=CC=C2N1C)C3=CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.342 2 2 -10.5588367625811 15945106 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC=C(C=C3)Cl)/C=C/C4=CC=CO4 1 2.666 4 5 0 -4.27688212064015 15945105 CC1CC(CN(C1)C(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(S3)Br)C 1 3.636 2 3 -15.0317015691437 15945104 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C=C3)O)OC)C4=C(OC5=CC=CC=C5C4=O)O 1 4.136 2 6 0 -9.0168743752345 15945103 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C/3\C(=O)NN(C3=O)C4=CC=CC=C4 1 3.402 3 3 -3.2192447607203 15945102 CCCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N=C(S2)NN=C(C)/C=C/C3=CC=C(C=C3)N(C)C 1 4.428 5 3 0 -9.29173232584267 15945101 CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC(=C(C=C3)OC)OC 1 3.896 2 4 -14.531871938597 15945100 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=C(C=CS2)C)/C(=O)NCC3=CC=NC=C3 1 3.353 3 2 -16.0969362336413 15945099 COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.641 2 5 0 -21.1121501402989 15945098 COC(=O)C1=CC=CC=C1C(=O)N2CCOCCOCCOCC2 1 0.525 1 6 0 -12.4968299619723 15945097 CCOC(=O)C1=CC=CC=C1C(=O)N2CCOCCOCCOCC2 1 0.874 1 6 0 -12.9523369609933 15945096 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCC3)F)C(=O)NN=CC4=CC(=C(C(=C4)OC)OC)OC 1 3.508 4 5 0 -6.4320310485775 15945095 CCCCC12CN3CCN(C1)CC(C3)C2=NNC(=O)C4=CC=CC=C4N 1 1.815 5 1 0 -7.95677368381876 15945094 CCNC1=NC(=NC(=N1)Cl)NCCOC2=CC=C(C=C2)C 1 2.983 5 1 -2.50674638982923 15945093 CC(C)(C)C1=CC=C(C=C1)C(=O)NN=C2C3CN4CCN(C3)CC2(C4)C5=CC=CC=C5 1 3.626 4 1 -3.14466871282689 15945092 C1C=C(CC2C1C(=O)N(C2=O)CCC[N+]3=CC=CC4=CC=CC=C43)Cl 1 3.183 2 2 -1.89677005216478 15945091 CCCC12CN3CCN(C1)CC(C3)C2=NNC(=O)C4=CC=CC=C4N 1 1.359 5 1 0 -7.97405205437746 15945090 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCC3=CN=CC=C3 1 1.806 3 4 0 -19.277553907925 15945089 CC\1(C2=CC=CC=C2N(/C1=C/C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C 1 3.465 4 3 0 4.03764284271434 15945088 COC1=CC=CC(=C1OC)C=NNC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.106 3 3 -7.59225068845771 15945087 C1=CC2=NC(=CN2C=C1)CSC(=N)N.Br Br- 1 0.963 4 0 0 -3.97646174486145 15945086 C1=CC(=C[N+](=C1)CC(=O)NC2=CC=C(C=C2)SC(F)F)CNC(=O)C3=CC=C(C=C3)OC(F)F.[Cl-] Cl- 1 5.031 3 3 -10.2449540878297 15945085 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3CCCC4=CC=CC=C34)(C)C 1 3.342 3 3 -14.0354438220115 15945084 CCOC1=C(C=CC(=C1)/C=C/C2=NC3=CC=CC=C3S2)OCC(=O)N4CCOCC4 1 3.576 2 4 -7.8069586502891 15945083 C1CN(CCN1CC2=CC=CC=C2Cl)NC(=O)C3=CC=C(C=C3)Cl.Cl Cl- 1 3.621 3 1 -1.57908141365103 15945082 CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)N3CC4=CC=CC=C4C3=N.Br Br- 1 4.513 2 1 -6.06834194507169 15945081 C\1CC(=C(/C1=C\C2=C(C=C(C=C2)Cl)Cl)N3CCOCC3)/C=C(\C#N)/C(=O)NC4=CC=CC=C4F 1 5.371 3 2 -9.74307744218403 15945080 C1=CC(=CC(=C1)NC(=O)C[N+]2=CC=CC(=C2)CNC(=O)C3=CC=C(C=C3)OC(F)F)C(F)(F)F.[Cl-] Cl- 1 4.61 3 3 -5.04411137109443 15945079 C1=CC(=C[N+](=C1)CC(=O)NC2=CC=C(C=C2)F)CNC(=O)C3=CC=C(C=C3)OC(F)F.[Cl-] Cl- 1 3.873 3 3 -8.60065270872913 15945078 CCC1CCC2=C(C1)C=C(S2)C3=NN=C(N3CC=C)SCC(=O)NCC 1 4.478 4 1 -19.9003122526491 15945077 CCSC1=NN=C(S1)NC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)Cl 1 3.572 4 2 -23.8797518841114 15945074 CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SC4CCOC4=O 1 5.115 3 2 -2.59148896275988 15945073 C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3N2)C(=O)C4=CC=CO4.Cl Cl- 1 1.971 4 3 0 -8.43895144783898 15945072 C\1CC(=C(/C1=C\C2=CC=C(C=C2)Cl)N3CCOCC3)/C=C(\C#N)/C(=O)NC4=CC=CC=C4F 1 4.706 3 2 -12.2730430291219 15945071 CC1=C2[C@H]3C4[C@](O4)(CCC5C(O5)([C@H](C2OC1=O)OC(=O)C)C)C(=O)O3 1 0.407 0 8 0 -6.54446052274389 15945070 C/C=C(/C)\C(=O)O[C@@H]1[C@@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C=C(C)C 1 5.048 0 7 0 -8.94008498794761 15945069 CC(C)([C@@H](COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)OC 1 2.111 0 7 0 -5.84834047812619 15945068 CC1=CC(=C2C(=C1)C(C3=C(C2=O)C(=CC=C3)O)(C4C(C(C(C(O4)CO)O)O)O)O)O 1 -5.7e-002 0 9 0 -3.01965507421091 15945067 C[NH+]1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC.Br Br- 1 1.973 1 4 0 -6.72476983057515 15945066 CC1=C2[C@@H]3[C@H]4[C@@](O4)(CC[C@H]5[C@](O5)([C@H]([C@]2(OC1=O)O)OC(=O)C)C)C(=O)O3 1 1.7e-002 0 9 0 -4.95100801973543 15945065 C[C@@]12CC[C@H](C(C1CCC(=C)[C@H]2COC3=CC(=O)OC4=CC=CC=C43)(C)C)O 1 4.438 0 4 -1.97574925004131 15945064 C1=CC(=CC=C1/C=C/C(=O)OCC2=C(C(=O)C=CO2)O[C@H]3[C@H]([C@H]([C@@H](C(O3)CO)O)O)O)O 1 -0.771 0 11 0 -14.1578837116023 15945063 CN1CCC2=CC3=C(C4=C2[C@H]1[C@@H](C5=CC=CC=C54)O)OCO3.Br Br- 1 2.536 1 3 -0.81235953657245 15945062 CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)O)OC.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 3.394 1 4 -3.32352574177599 15945061 CC(C)([C@@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)OC 1 2.127 0 6 -5.52927313402321 15945060 C1=C(C=C(C(=C1O)O)O)C(=O)OCC2[C@H]([C@@H]([C@@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O 1 4.073 0 26 0 -14.4657045681114 15945059 CC(=CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)OC)C 1 3.169 0 4 -4.66552875369334 15945058 CC(C)([C@@H]1[C@@H](C2=C(O1)C=CC3=C2OC(=O)C=C3)O)OC4C(C(C(C(O4)CO)O)O)O 1 -0.549 0 10 0 -15.6837568300546 15945057 CC1(C(=CC(=O)C2=C1SCC(=O)N2)CO)C 1 -0.162 1 3 0 -9.3491086962093 15945056 C/C=C(/C)\C(=O)O[C@H]1[C@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)O 1 3.123 0 6 -8.02749157389325 15945055 CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C3)C(C)(C)OC4C(C(C(C(O4)CO)O)O)O)OC 1 0.268 0 10 0 -15.4961309805813 15945054 CC1=CC(=CC(=C1)O[C@@H]2[C@@H]([C@@H]([C@H](C(O2)CO)O)O)O)O 1 -9.8e-002 0 7 0 -10.0161566536554 15945053 CN1[C@H]2CC3=CC4=C(C=C3[C@@H]1CC5=CC(=C(C=C25)OC)OC)OCO4.Cl Cl- 1 3.429 1 4 -4.30980137616325 15945052 CC(=O)OC[C@@]1(C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C@@H]1C3)(CCC[C@@]4(C)C(=O)O)C)OC(=O)C 1 3.625 0 6 1.6639668823152 15945051 COC1=CC=C(C=C1)N2C3=[N+](C=C2C4=CC=C(C=C4)Br)C5=CC=CC=C5CC3.[Br-] Br- 1 6.777 2 1 3.35724729639274 15945049 C1CN(CCN1CC2=CC=CC=C2)CC(COCCOC3=CC=C(C=C3)Br)O.Cl Cl- 1 3.599 2 3 -0.645063622459899 15945048 COC1=CC=CC=C1OCC(=O)NN=C/C=C/C2=CC=C(O2)[N+](=O)[O-] 1 2.276 3 6 0 -4.26171992826095 15945047 CC1=CC=C(C=C1)NN=C2C3=CC=CC=C3C4=CC=CC=C42.Cl Cl- 1 5.268 2 0 -3.11102944550619 15945046 C1=CC(=CC=C1N=C(N)N=C(N)N)SC(F)(F)F.Cl Cl- 1 2.661 5 0 6.17884176340095 15945045 CC(=NNC(=O)COC1=CC(=CC=C1)Cl)C2=CC3=C(C=C2)OCCO3 1 2.949 2 4 -7.80129343515059 15945044 C1=CC=C2C(=C1)[N+]3=C(S2)C=C(C(=C3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC(=CC=C5)[N+](=O)[O-].[Br-] Br- 1 6.008 3 4 0 5.00715074281976 15945043 C1C(N(N=C1/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CO4 1 4.822 3 3 -5.04628747235229 15945042 CCOC(=O)CN/C=C(\C#N)/C1=CC=CC=C1 1 1.197 2 2 0 -12.0909706802808 15945041 CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NC2=NC3=C(S2)CCCC3 1 3.875 3 2 -20.4772156226853 15945040 CC1=CC(=C(N1CCOC)C)C2=NN=C(SC2)NCC=C.Cl Cl- 1 2.224 4 1 -15.6420243058244 15945039 CCCCNC(=O)CCCCC(=O)NN=CC1=CC(=CC=C1)Cl 1 3.348 3 2 -14.6437411327642 15945038 COC1=C(C=CC(=C1)C=NNC2=CC=C(C=C2)Cl)OC(=O)C3=CC=CS3.Cl Cl- 1 5.482 2 3 -6.2335394245732 15945037 C=CC[C@H]1CC(=C[C@@H](N1)CC=C)CC2=CC=CC=C2.Cl Cl- 1 4.26 1 0 0.509946499572427 15945036 C1COCCN1CCSC2=NC(=O)C(=C(N2C3=CC=CC=C3)O)C4=CC=CC=C4.Cl Cl- 1 3.981 3 3 -9.17365111295393 15945035 CC1=C(N(C2=CC=CC=C12)CC(CNC(C)C)O)C(=O)C3=CC=C(C=C3)OC.Cl Cl- 1 4.313 2 3 -0.572788353589551 15945034 CC1=CC2=C(C=C1)N(C(=C2C)C(=O)C3=CC=C(C=C3)OC)CC(CN4CCOCC4)O.Cl Cl- 1 4.296 2 4 0.606106773873678 15945033 CCOC(=O)C(=NNC1=CC=C(C=C1)C(=O)C)C2=CSC(=N2)NC3=CC=CC=C3 1 3.857 4 3 0 -2.71189784643501 15945032 COC1=C/C(=C/NN2C(=O)C3=CC=CC=C3C2=O)/C=CC1=O 1 0.519 2 4 0 -1.43884166124475 15945031 CC1=CSC2=[N+]1C=C(C(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-].[Br-] Br- 1 4.662 3 4 0 1.40624922969106 15945030 CCOC(=O)C[N+]1=C(SC=C1C)C.[Br-] Br- 1 1.321 1 2 0 -5.03982335976094 15945029 CC1=CC(=C(C=C1)C[N+]2=CC=CC(=C2)C3=CC=CC=C3)C.[Cl-] Cl- 1 5.508 1 0 5.97658230976321 15945028 CCOC(=O)C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=C(C=C3)Cl.[Br-] Br- 1 4.907 1 2 1.33910782738903 15945027 CCOC(=O)C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=CC=C3.[Cl-] Cl- 1 4.243 1 2 -1.46611876498979 15945026 C[N+]1=C(C2=CC=CN2CC1)C3=C(C=C(C=C3)OC)OC.[I-] I- 1 2.973 2 2 -1.75204709933979 15945025 CN(C)CC1CCCCC1OC(=O)C2=CC(=C(C=C2)Cl)Cl.Cl Cl- 1 4.649 1 2 -2.23434398148497 15945024 CC[N+]1=C(SC=C1C2=CC=CC=C2)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C.[Br-] Br- 1 3.425 4 1 -7.72495023199807 15945023 C\1CC(=C(/C1=C\C2=CC=CC=C2)N3CCOCC3)/C=C(\C#N)/C(=O)NC4=CC=CC=C4F 1 4.042 3 2 -14.4353985338055 15945022 CC1=CC(=CC=C1)CC2=CN=C(S2)N3C(=O)C(SC3=N)C4=CC=CC=C4 1 4.929 3 1 -3.75610626325951 15945020 CC1(CC(=CC(=[N+]2CCCC2)C1)N3CCCC3)C.[I-] I- 1 2.67 2 0 -2.64063787136206 15945019 CC1=CC=C(C=C1)C2=NN(C(=O)SC2)CC3=NN=C(O3)C4=CC=CC=C4 1 3.654 4 2 -5.62602587330869 15945018 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4 1 4.652 3 6 0 -23.8963279879298 15945017 CCOC1=C/C(=C/C=C\2/C=CC3=C(N2)C(=CC=C3)[N+](=O)[O-])/C=C(C1=O)Cl 1 3.253 2 4 1.23009744976607 15945016 C=CCN\1C(=CS/C1=C(/C#N)\C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)C5=CC=CC=C5.Br Br- 1 3.812 6 1 0 -10.1415199474856 15945015 C=CCN1/C(=C(/C#N)\C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)/SC(NC1=O)(C5=CC=CC=C5)C(F)(F)F 1 4.685 7 2 0 -13.5222134558458 15945014 CCN(CCO)CC1=CSC2=C1C=C(C=C2)C(C)(C)C.Cl Cl- 1 3.975 1 1 4.89505445655825 15945013 C1C(C2=C(CN1)C3=CC=CC=C3C=C2)C4=CC=CC=C4.Br Br- 1 3.702 1 0 0.32544620706452 15945012 CC1=CC=C(C=C1)N2CCN(CC2)CCCN3C(=O)C4CCCN4C3=O.Cl Cl- 1 2.164 4 2 -0.769600121203379 15945011 CC(CN(C)CC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31)O.Cl Cl- 1 4.304 1 1 1.28878884032507 15945010 C1CCC(CC1)NCC(COCCOC2=CC=C(C=C2)Br)O.Cl Cl- 1 3.381 1 3 -2.16195627065008 15945009 C1=CC=[N+]2C=C(C(=CC2=C1)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-].[Cl-] Cl- 1 4.656 3 4 0 1.59779355132894 15945008 CC1=C(SC2=[N+]1C=C(C(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-])C.[Br-] Br- 1 4.808 3 4 0 0.996115439317873 15945007 CC(C)[C@@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl 1 3.334 3 5 0 -16.9926869485216 15945006 C1COCC[N+]1=C2N=C(N(S2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 3.266 3 1 -3.67538906855132e-002 15945005 CC1=CC=C(C=C1)C2=NC(=[N+]3CCOCC3)SN2C4=CC=CC=C4.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.398 3 1 0.730793987677931 15945004 CCN1C(=O)C(SC1=NC2=CC=CC=N2)CC(=O)NC3=CC=CC(=C3)C(=O)C 1 2.585 4 3 0 -8.87951584073358 15945003 CC1C(=O)/C(=C(/C)\NC(C)C)/C(=O)O1 1 0.74 1 3 0 -10.1649970857903 15944945 C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)F)CCO.Br Br- 1 3.253 2 1 2.44278373049764 15944946 CC1=CC=C(C=C1)NN=CC2=CN=CC=C2.Cl Cl- 1 2.784 3 0 1.96519729159275 15944947 CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC4=CC=CC=C4C3 1 3.407 3 3 -26.7185302153043 15944948 CC(C(=O)NC(=O)N)SC1=NC2=C(N1C3=CC=CC(=C3)C(F)(F)F)C=CC(=C2)[N+](=O)[O-] 1 4.166 5 4 0 -3.68581939780686 15944949 CN\1C(=CS/C1=C(/C#N)\C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)C5=CC=C(C=C5)F.Br Br- 1 3.4 6 1 0 -3.13863731114595 15944950 CC1=NN(C(=C1SC2=CC=CC(=C2)[N+](=O)[O-])N)C3=CC=CC=C3.Cl Cl- 1 3.729 4 2 -1.00043073784046 15944951 CN(C)CC1CCCCC1OC(=O)C2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 4.649 1 2 2.53658916574018 15944953 C=CCN\1C(=CS/C1=C(/C#N)\C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)C5=CC=C(C=C5)Br.Br Br- 1 4.56 6 1 0 -9.00863312363673 15944954 CC1=C(C=CC=C1Cl)NC(=O)CC(=NNC(=O)C(=O)NCC(C)C)C 1 1.987 4 3 0 -10.7544331647074 15944955 CC1=[N+](CCC2=CC=CC=C12)CC(=O)NC(C)(C)C.[Cl-] Cl- 1 1.998 2 1 0 -8.46797468541495 15944956 CC1CCCC(C1C)NC(=O)COC(=O)/C(=C/C2=CC(=CC=C2)OC)/C3=CC=CC=C3 1 5.104 1 4 -9.44799408514646 15944958 CCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3CCCO3)C4=CC=CS4)/O 1 2.914 1 5 -13.0885501977107 15944959 CC1=NC(=C2C3=CC=CC=C3NC2=C1)C.Br Br- 1 2.737 2 0 2.00363995346499 15944960 CC1=C[N+](=CC=C1)CC(=O)/C=C\2/C(C3=CC=CC=C3N2C)(C)C.[Cl-] Cl- 1 4.162 2 1 7.1653198192193 15944961 CC1=C(C=C(C=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O)C.Cl Cl- 1 3.722 2 4 -1.55804829725795 15944963 CCOC1(OCC(=O)[C@@]2(O1)CCC3C2(CC(=O)C4C3CCC5=CC(=O)C=CC45C)C)C 1 3.257 0 6 -4.583255331957 15944964 COC1=CC=C(C=C1)N2CCN(CC2)CC(COCCOC3=CC=C(C=C3)Br)O.Cl Cl- 1 3.672 2 4 -0.11154936075282 15944965 C1OC2=C(O1)C=C(C=C2)N/N=C/3\C(=NN(C3=N)C4=CC=CC=C4)N 1 1.918 6 2 0 -6.19543656973051 15944966 CC(C)NCC(COCCOC1=CC=C(C=C1)Br)O.Cl Cl- 1 2.249 1 3 -1.9547991961633 15944967 CC1CN(CCC1=O)CC2=CC=CC=N2.Cl Cl- 1 1.195 2 1 0 -2.66474895060209 15944968 CCN=C1N(C(=O)CC(S1)C(=O)NC2=CC(=CC=C2)Br)CC 1 2.977 3 2 -5.73480501015433 15945002 CC1=C(SC2=[N+]1C(=C3C4=CC=CC5=C4C(=CC=C5)C3=C2)C(=O)C6=CC=CC=C6)C.[Br-] Br- 1 5.93 1 1 -1.14397139747338 15945001 CSC(=NC1=CC=C(C=C1)Cl)N[N+]2=CC=CC=C2.[I-] I- 1 4.306 3 0 5.08010975543332 15944999 CCOC(=O)C1=NSN=C1NCCSC(=N)N.I I- 1 0.943 5 2 0 -6.31097606146443 15944998 CC1=CC=C(C=C1)CNC(=O)COC(=O)[C@@H]2CC(CN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4)O 1 1.075 2 8 0 -20.4855529993385 15944997 C1=CC=C(C=C1)CC(CO)NCC2=CC=CC=C2C(F)(F)F 1 3.704 1 1 5.39827979249418 15944996 CC(CN(C)CC1=CC=CC=C1)OC(=O)C2=CC=CC=C2F.Cl Cl- 1 3.99 1 2 -2.17590214607781 15944995 CCO.CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCNC(=O)C3=CN=CC=C3 CCO 1 1.611 5 7 0 -29.8633816426088 15944994 CCN1CCN(CC1)CC(COCCOC2=CC=C(C=C2)Br)O.Cl Cl- 1 2.365 2 3 -3.32765095121747 15944993 CC(C)(C)CC(C)(C)NCC(COCCOC1=CC=C(C=C1)Br)O.Cl Cl- 1 3.892 1 3 -7.327074403301 15944992 C1CN(CCN1CCO)CC(COCCOC2=CC=C(C=C2)Br)O.Cl Cl- 1 1.477 2 4 0 -1.18587097900063 15944991 CN1CCN(CC1)CC(COCCOC2=CC=C(C=C2)Br)O.Cl Cl- 1 2.016 2 3 -1.06624773395995 15944990 C1=CC=C2C(=C1)C(C=N2)CCNCC(CN3C4=C(C=C(C=C4)Cl)C5=C3C=CC(=C5)Cl)O 1 5.524 3 1 7.28452655562735 15944989 CC1=CC(=NC(=N1)NN=CC2=C(/C(=C\C3=CC=C(C=C3)Cl)/CC2)N4CCOCC4)C.Cl Cl- 1 3.591 5 1 -3.0072166401383 15944988 C1CSC2=[N+]1C(=CS2)C34CC5CC(C3)CC(C5)C4.[Br-] Br- 1 4.322 1 0 1.86481618817256 15944987 CC1=C(N(C(=NC1=O)SCC(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2)C5=CC=CC=C5)O 1 5.268 3 3 -13.2333189771297 15944986 CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)NCC3CCCO3)C 1 3.279 2 3 -22.8078648943816 15944985 C1=CC=[N+](C=C1)/C(=C(\C2=CC=C(S2)Cl)/[O-])/C(=S)NC3=CC=CC4=CC=CC=C43 1 5.419 2 1 0.404045206971151 15944984 COC1=CC(=CC(=C1OC)OC)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=CO4 1 2.79 4 5 0 -12.4203759114564 15944983 CCC(=NNC1=CC=CC=C1C)C2=CN=NC(=N2)SC 1 3.827 5 0 -0.890036008538198 15944982 CC(C)C(C(=O)NN=CC1=CC=CO1)NC(=O)C2=CC=CC=C2 1 2.465 3 3 -18.0202724766718 15944981 C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C3=CC=CC=C3.[Cl-] Cl- 1 4.536 1 0 5.56536621602698 15944980 CC(C)C1=CC2=C(C=C1)NC3C2CC4=CC=CC=C34.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 4.497 1 0 0.815767520504164 15944978 CC1CC(CC(N1C)C)OC(=O)C2=CC=CC=C2.Cl Cl- 1 2.551 1 2 -7.60350619517488 15944977 CC1=CC=C(C=C1)N2CCN(CC2)CCCCN3C(=O)C4CCCN4C3=O.Cl Cl- 1 2.744 4 2 1.49526675151375 15944976 CCOC1=CC=CC=C1NC(=O)C2=C(NC(=S)NC2C3=CC=CS3)C 1 3.461 3 2 -30.887009327526 15944975 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3CCC(=CC3)C4=CC=CC=C4 1 3.563 3 3 -22.3293825505675 15944972 CC(C)(CO)NCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)Cl)OC.Cl Cl- 1 4.374 1 3 -3.19518766590754 15944971 C1=CC=C(C=C1)C(=O)C2=C3C4=CC=CC5=C4C(=CC=C5)C3=CC6=[N+]2C7=CC=CC=C7S6.[Br-] Br- 1 7.13 1 1 2.79604513554088 15944970 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC5=CC=CC=C5C=C4 1 3.676 4 3 0 -11.8950212316603 15944969 CC1=CC=C(C=C1)OCC(=O)NN=C2CCOC3=C2C=CC=C3OC 1 2.886 2 4 -6.61139282348156 15944944 CN(C)C1=CC=C(O1)C=NNC(=O)C2COC3=CC=CC=C3O2 1 2.138 3 4 0 -5.08488916238897 15944943 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COCC4=CC=CC=C4)S.Cl Cl- 1 3.542 2 3 -1.66446347209193 15944942 COC1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O.Cl Cl- 1 2.734 2 5 0 -1.7905411882143 15944941 CC1CN(CC(O1)C)C(=O)COC(=O)[C@@H]2CC(CN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4)O 1 -0.347 2 9 0 -22.4427368244724 15944940 C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)N.[Br-] Br- 1 1.729 2 3 0 -4.19725696130197 15944939 CCNC1=NN=C(CS1)C2=C(N(C(=C2)C)CC=C)C.Cl Cl- 1 2.703 4 0 -10.1193920671097 15944938 CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C3CCC/C(=C/C4=CC=CS4)/C3=NC5=CC=CC=C52 1 5.633 2 4 -12.0795485504311 15944937 COC1=CC=CC2=C1C=C(N2)C(=O)NN/C=C/3\C=CC=C(C3=O)OC 1 1.263 3 4 0 -1.29091403689633 15944935 C1C/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)NC5=CC=C(C=C5)C(=O)N 1 4.895 3 4 0 -12.4327008515418 15944932 CC1=C(SC=[NH+]1)CCOC(=O)C2C3CC4CC(C3)CC2C4.[Cl-] Cl- 1 4.059 1 2 0.552068063421634 15944930 C1COC2=C(O1)C=CC(=C2)C(=O)NCC(=O)NN/C=C/3\C=CC(=O)C=C3O 1 -0.686 3 6 0 -14.0449568405161 15944928 CC1=CC(=C(N1CC2=CC=CO2)C)C3=NN=C(SC3)NCCCOC.Cl Cl- 1 2.434 4 2 -9.82087277906277 15944927 CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C4=NN=C(SC4)NC.Cl Cl- 1 2.407 6 1 0 -14.4611573841181 15944924 COC1=CC(=CC(=C1OC)OC)C2C3=C(C(CN2)C4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5N3.Cl Cl- 1 6.163 2 3 -6.09012773191396 15944921 CC1=CC(=CC=C1)NC2=NN=C(S2)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.988 5 4 0 -12.800157441898 15944920 CC(C(=O)N[C@@H](CCSC)C1=NC2=CC=CC=C2N1)OC3=CC=C(C=C3)Cl 1 4.125 3 2 -7.26883430479061 15944918 CC1=CC=C(C=C1)C23C(C(=NN2)C(=O)OC)C(=O)N(C3=O)C4=CC=CC(=C4C)C 1 3.177 3 4 0 -2.00194867328259 15944917 CC1=CC(=NC2=CC=CC=C12)NN=C(CCC(=O)[O-])C(=O)[O-].[K+] K+ 1 -0.998 3 4 0 4.17495399787315 15944916 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=C/C=C/C3=CC=CC=C3 1 0.965 6 3 0 -16.7990512378691 15944915 C1=CC=C(C=C1)C(=O)[C@@H]2[C@H]([C@@]3([C@@H]4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CC=C(C=C7)F 1 4.866 2 3 -4.31586435181123 15944914 CC(=NNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)CC(=O)NC2CCCC2 1 2.339 4 4 0 -12.8822876656853 15944913 CC(=O)NC(CCCN1C(=O)C2=CC=CC=C2C1=O)C3=NN(N=N3)C 1 0.359 6 3 0 -11.0886332032437 15944912 CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)CCNC=C4C(=O)CC(CC4=O)(C)C 1 1.717 3 4 0 -12.240329366384 15944911 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC(=O)/C(=C\3/NC4=CC=CC=C4S3)/C=C2 1 3.184 2 4 -15.4054836667175 15944910 CNC(=O)C(=O)NCC1N(CCO1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 -0.725 4 7 0 -21.1984735310698 15944909 C1C2=CC=CC=C2C(=N)N1NC(=O)C3=CC=C(C=C3)Br.Br Br- 1 2.634 3 1 -6.05738062623047 15944908 CC(C)C1=CC=CC=C1NC(=O)COC(=O)CCN2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=S 1 5.301 2 4 -10.9808589985702 15944907 CC\1=NC2=CC=CC=C2/C1=C\3/CSC(=NN3)NC4=CC=C(C=C4)OC.Cl Cl- 1 3.103 4 1 -10.9947747621761 15944906 CCNCC1=CC(=CC(=C1OC(C)C)OC)Cl.Cl Cl- 1 3.074 1 2 0.792906895723161 15944905 CN1C2=CC=CC=C2[N+](=C1COC3=CC=C(C=C3)OC(=O)N(C)C)C.[Cl-] Cl- 1 3.718 3 3 -4.86016190874687 15944904 C[C@@H]1C(=O)O[C@H]2[C@]1(C34C(=O)O[C@H]5C3([C@H]2O)C6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@@H]6O4)O)O 1 -0.854 0 10 0 -2.06312864695404 15944903 CC1CN(C2=CC=CC=C2[N+]3=C1SC=C3C)C(=O)C.[Cl-] Cl- 1 2.565 2 1 -5.17831323872777 15944902 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CNC3=CC=C(C=C3)Br)O 1 2.557 2 3 -5.3466282344152 15944901 CC1=CSC(=N1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 1.359 6 3 0 -21.9788967354917 15944900 CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)NC4=NC=CS4 1 1.563 6 3 0 -20.4656378247882 15944899 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)NC4=NOC(=C4)C 1 1.704 6 4 0 -29.5770432966904 15944898 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NNC4=NC5=C(S4)C=C(C=C5)Cl 1 5.376 4 1 -2.03800407354376 15944897 CC1=CC(=C2C(=C1)SC(=N2)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)C 1 5.684 4 1 -3.72404757141418 15944896 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3 1 2.872 4 3 0 -21.5053454718619 15944895 C1C(C=CS1(=O)=O)N(C2=CC=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4OC3=O 1 2.895 1 5 -5.86905593544804 15944894 CC1=CSC(=N1)NC(=O)CSC2=NN=C(S2)NC(=O)COC3=CC=CC=C3 1 1.923 5 3 0 -19.4281749938915 15944893 CC1=CSC(=N1)NC(=O)CSC2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)Cl 1 2.588 5 3 0 -17.1179422913358 15944892 COC1=CC=C(C=C1)C2=CSC(=N2)/C(=C\C3=CC(=C(C=C3)OC)[N+](=O)[O-])/C#N 1 4.326 3 4 0 -12.9942649960828 15944891 C1OC2=C(O1)C=C(C=C2)/C=C\C(=O)NC3=NN=C(S3)SCC(=O)OCC4=CC=CC=C4 1 3.698 3 5 0 -21.3500512599361 15944890 CC1=C(C=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4=CC=CS4)C 1 4.019 3 5 0 -20.4980441408325 15944889 COC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4=CC=CS4 1 3.031 3 6 0 -20.1280546326264 15944888 CC1=C(C=C(C=C1)C2=NC3=C(S2)N=CC=C3)NC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46 1 5.418 3 2 -2.07659220539856 15944887 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=CC=CC(=C4)C5=NC6=C(S5)N=CC=C6 1 4.931 3 2 0.452947740483029 15944886 CC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4=CC=CS4 1 3.533 3 5 0 -19.7861313721173 15944885 CC1=C(C2=C(C=C1)SC(=N2)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)C 1 5.684 4 1 -6.19473154288121 15944884 CC1=C2C(=CC=C1)SC(=N2)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5 1 5.198 4 1 -4.8312540755956 15944883 CC1=CC(=C2C(=C1)N=C(S2)NNC(=O)C3COC4=CC=CC=C4O3)C 1 3.37 3 3 0.567475566831633 15944882 C[N+]1=C(C=C(N=C1)C2=CC=CC=C2)C3=CC=CC=C3.[I-] I- 1 3.984 2 0 3.68173061836356 15944881 CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=C(C=C3)OC 1 3.35 2 5 0 -6.26194757878919 15944880 C1=CC=C2C(=C1)C(=O)C3=C(N2CC(=O)NC4=CC=CC=C4Cl)C=CC(=C3)[N+](=O)[O-] 1 4.355 3 4 0 -2.46757786384134 15944879 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CSC3=C(SC=C3)[N+](=O)[O-] 1 3.612 3 3 -5.33652716723385 15944878 C1CCN2C(=NC3=C(C2=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C1 1 2.425 4 4 0 -15.90585535763 15944877 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].Br Br- 1 4.379 4 3 0 -3.23347912342865 15944876 CC1=CC=C(C=C1)NC(=O)CN2C=C(C(=O)C3=C2C=CC(=C3)F)S(=O)(=O)C4=CC=C(C=C4)F 1 3.907 2 4 -10.7008243367313 15944875 CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4C)CC5=CC=CC=C5 1 4.894 3 4 0 -13.2774768439987 15944874 COC1=CC=CC=C1NC(=O)CN2C3=C(C=CC=N3)C(=O)N(C2=O)CCC4=CNC5=CC=CC=C54 1 3.183 5 4 0 -13.2319956066274 15944873 CC1=CC=CC=C1C2=NC(=C(O2)C)CN3C4=C(C=C3C(=O)OC)OC=C4 1 4.124 2 4 6.80920675053509 15944872 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5CCCCC5 1 3.208 4 3 0 -4.78088388930366 15944871 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NOC(=C2)C3=CC(=CC=C3)O 1 3.573 2 6 0 -10.3076714864921 15944870 CC1=C2C=CC(=O)C=C2NC(=C1)NC3=CC=CC=C3 1 2.676 2 1 -2.82721865205201 15944869 CC1=CC=CC=C1NC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C(=O)N4C)C 1 1.298 4 5 0 -15.3650470273144 15944868 CC1=C(N=C(O1)C2=CC=CC=C2Cl)CSC3=NC(=O)C4=C(N3)CCC4 1 3.997 3 2 -1.80205845437924 15944867 CC1=CC(=C(C=C1)NC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C 1 3.477 2 3 -17.086398253251 15944865 CC1=C[N+](=CC=C1)C\2=NC(=O)S/C2=C\NNC(=O)C3=CC=CC=C3[O-] 1 1.837 4 3 0 -9.13124851000456 15944864 CCO.CC(=O)N1C2=CC=CC=C2C3=C1C(C(=C(O3)N)C#N)C4=C(C(=CC=C4)Cl)Cl CCO 1 4.555 3 2 -3.4019467230932 15944863 C1=CC=C(C=C1)OCC(=O)NN=CC2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 1 0.346 2 8 0 -19.5383177050979 15944862 COC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)OC 1 2.666 4 5 0 -15.8648199460461 15944861 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)F 1 3.374 5 3 0 -12.3947390807366 15944860 CC1=NN=C2N(C1=O)N=C(S2)SCC(=O)NC3=NC=CS3 1 1.432 6 2 0 -14.0095958907539 15944859 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3Cl 1 4.8 4 3 0 -18.5127462525596 15944858 CCN(CC)CCNC(=O)C(=O)NCC1N(CCO1)C(=O)C2=CC3=C(C=C2)OCO3 1 0.282 4 6 0 -16.8617017832559 15944857 C1C2C(CS1(=O)=O)SC(=N2)N(CC3=C(C=CC=C3Cl)F)C4=CC=CC=C4F 1 4.569 2 2 -10.1674276288021 15944856 CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)NC4=NC=CS4 1 1.563 6 3 0 -21.4847448274705 15944855 C1=CC(=CC(=C1)F)C(=O)NCC(=O)NN/C=C\2/C=CC(=O)C(=C2)[N+](=O)[O-] 1 1.4e-002 4 5 0 -10.2875728044281 15944854 CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NN/C=C/3\C=NC4=CC=CC=C43 1 2.175 5 4 0 -12.2283635472739 15944853 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)Cl 1 3.833 5 3 0 -11.2846174156151 15944852 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=CC=C4 1 2.683 4 4 0 -16.850887960482 15944851 CC1=CC(=NO1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 1.218 6 4 0 -29.6500498974989 15944850 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4 1 2.764 4 4 0 -10.818818374851 15944849 CC1=NC=C(N1CCOC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.509 5 6 0 -12.9893813708816 15944848 CCC1=NN=C(N1N)NN=CC2=CC=CS2.Cl Cl- 1 1.106 6 0 0 -8.92235423967335 15944847 C1C(C2=C(C=CC3=CC=CC=C32)NC1=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl 1 4.026 2 3 -7.13411369678964 15944846 C1=CC=C2C(=C1)C(=C3C(=C(C(=C(C3=N2)F)F)F)F)NCCO 1 3.444 2 1 3.3045985261886 15944845 COC1=C(C=C(C=C1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O)OC 1 3.683 3 4 0 -12.309962318005 15944843 CC1=CC(=CC=C1)NC(=O)CN2C3=C(C=CC=N3)C(=O)N(C2=O)CCC4=CNC5=CC=CC=C54 1 3.685 5 3 0 -7.74161653525539 15944842 C1=CC(=CC=C1CNC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Cl)F 1 2.236 5 3 0 -18.0456794490948 15944841 CCC(C)NC(=O)/C=C\1/C(=O)NC2=CC=CC=C2S1 1 2.014 2 2 -10.5785804786866 15944839 C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)NN=C/C=C\C4=CC=CC=C4[N+](=O)[O-] 1 4.528 5 3 0 5.95976165956797 15944838 COC1=CC=C(C=C1)C(=O)C2=COC(=C2C(=O)O)C3=CC=CC=C3C(=O)O 1 3.39 0 7 0 -2.99427389331442 15944837 CCN(CCNC(=O)C1=CC=C(C=C1)CSC2=NC3=C(N2)C=NC=C3)C4=CC=CC=C4 1 4.229 5 1 -13.4156328707992 15944836 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CN3C4=C(C=C3C(=O)OC)OC=C4 1 4.302 2 4 9.4384155499325 15944835 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)NC4=NC(=CS4)C 1 1.846 6 3 0 -21.9058901346833 15944834 C1=CC=C(C(=C1)CNC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F)Cl 1 2.236 5 3 0 -23.549452984639 15944833 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CN4C=CC=NC4=N3 1 3.284 4 2 3.46872940614305 15944832 C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])[N+](=O)[O-])[O-].[Na+] Na+ 1 0.83 2 8 0 -9.31092945985881 15944831 COC1=CC(=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4)OC5=CC=CC=C53)OC 1 3.751 3 6 0 -9.94144920659417 15944830 C1=CC(=CC=C1CN2C(=O)C3=C(C=CS3)NC2=O)C(=O)NC4=CC(=C(C=C4)Cl)Cl 1 4.421 3 3 -7.63458398970378 15944829 CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1([C@]45[C@H](O4)C(=O)O[C@H]([C@]5(CC3=O)C)C6=COC=C6)C)C 1 2.137 0 8 0 -7.34388283200545 15944828 CC(=NNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CN=CC=C2 1 1.363 5 4 0 -10.4204383394674 15944827 CC1=CC(=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C(=O)N4C)C 1 1.298 4 5 0 -11.6904714456499 15944826 CC1=C(N=C(O1)C2=CC=CC=C2)CSC3=NC(=O)C4=C(N3)CCC4 1 3.333 3 2 -2.1240281865084 15944825 CC1=CC=C(C=C1)NC(=O)CN2C=C(C(=O)C3=C2C=CC(=C3)F)S(=O)(=O)C4=CC=C(C=C4)C 1 4.187 2 4 -11.0725076530819 15944824 C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4 1 4.402 1 2 -8.01832230658948 15944823 C1=CC=C2C(=C1)C(=CN2)CCN3C(=O)C4=C(N=CC=C4)N(C3=O)CC(=O)NC5=CC=CC=C5F 1 3.405 5 3 0 -10.9551320060858 15944822 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)CSC4=NC5=C(N4)C=NC=C5 1 4.569 5 1 -1.22273316612422 15944821 CC(=O)N1C(C2C(=N1)C3CCN2CC3)C4=CC=CC5=CC=CC=C54 1 2.318 3 1 -1.41038874870856 15944820 CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)C(=O)N(C2=O)C5=CC=CC=C5 1 4.596 3 4 0 -15.4676450451735 15944818 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NOC(=C2)C3=CC(=CC=C3)O 1 4.037 2 7 0 -12.7585228130433 15944817 COC1=C/C(=C/NNC(=O)C2CC3CC2C=C3)/C=CC1=O 1 0.388 2 3 0 1.20558478662092 15944816 C1=CC(=CC=C1C(=O)NCC(=O)NN/C=C\2/C=CC(=O)C(=C2)[N+](=O)[O-])F 1 1.4e-002 4 5 0 -10.4002288922522 15944815 C1=CC(=CN=C1)NC(=S)NN/C=C\2/C=CC(=O)C(=C2)O 1 0.721 4 2 0 -4.10264954683224 15944814 CC1=C(NC(=C1C(=O)NN=CC2=CC=C(C=C2)OC)C)C(=O)NN=CC3=CC=C(C=C3)OC 1 3.52 5 4 0 -6.50860767817563 15944813 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CSC3=C(SC=C3)[N+](=O)[O-] 1 3.92 3 3 -7.83942136121419 15944812 CC1CCC(CC1)NC(=O)C2=CC=C(C=C2)/C=C\3/C(=O)N(C4=CC=CC=C4O3)C 1 4.041 2 3 -8.76359108853667 15944810 CCC1=CC=C(C=C1)C(=O)CN2CCSC2=N.Br Br- 1 2.852 2 1 -7.51487019869324 15944809 C1CN(CCN1CC(COC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)O)C4=CC=CC=N4.Cl Cl- 1 5.22 3 2 -1.5612714757863 15944808 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC3=CC=CC=C3Cl 1 2.102 2 5 0 -22.4776175447318 15944807 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)NN/C=C\3/C=CC(=O)C(=C3)[N+](=O)[O-] 1 2.121 4 4 0 -5.3008087561985 15944805 CC(=NNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CC=CC=C2NC(=O)C 1 1.634 5 5 0 -13.9726512727031 15944803 CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)NC4=NOC(=C4)C 1 1.704 6 4 0 -28.7054799059702 15944802 CC1=C(C2=CC=CC=C2N1C)C(=O)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.178 3 4 0 -11.9125958872779 15944801 C1C2[C@H]([C@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O 1 1.127 0 18 0 -5.11580748736939 15944800 COC1=CC=CC=C1NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4)OC5=CC=CC=C53 1 3.768 3 5 0 -9.0728986469808 15944799 C1=CC=C(C=C1)CNC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F 1 1.572 5 3 0 -23.0006284589352 15944798 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=NN=C3N2N=C(C=C3)SCC(=O)NC4=NC5=CC=CC=C5S4 1 3.618 7 3 0 -16.2725886483987 15944797 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=C/C(=C/4\NC5=CC=CC=C5S4)/C(=O)C=C3 1 3.346 2 4 -7.74981627600788 15944796 COC(=O)CSC1=NN=C(S1)NC(=O)/C=C\C2=CC3=C(C=C2)OCO3 1 2.115 3 5 0 -21.5124083479533 15944795 C1CN(CC2=CC=CC=C21)CC(COC(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O.Cl Cl- 1 5.861 1 2 -7.92890149954469 15944794 COC1=CC=C(C=C1)/C=C/2\CCCC3C2=NN(C3C4=CC=C(C=C4)OC)C(=O)CSC5=NC=NN5 1 4.53 5 3 0 -13.9124885261843 15944792 C1=CC=C(C=C1)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)NC4=CC=CC=C4 1 4.075 2 3 -14.4865719864651 15944791 CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)NC4=NOC(=C4)C 1 1.704 6 4 0 -27.8262108075095 15944789 CC12CC(C(C(=O)N1)/C(=N/NC(=O)C3=CC=C(C=C3)F)/N)C4=CC=CC=C4O2 1 1.329 4 3 0 -12.296698341603 15944788 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C5CS(=O)(=O)CC5SC4=N.Br Br- 1 4.2 3 2 -0.697599234961943 15944787 COC1=CC=CC(=C1)C(=O)NCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.053 4 7 0 -21.1223306251395 15944786 CC1=C(SC=C1)C=NNC(=O)/C(=C\C2=CC=C(C=C2)OC)/NC(=O)C3=CC=CC=C3 1 4.063 3 3 -16.6067016388868 15944785 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CSC3=C(SC=C3)[N+](=O)[O-] 1 4.098 3 3 -5.14993195785289 15944784 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])C 1 4.399 4 4 0 -7.46843493206951 15944783 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=C(S3)C)/NC2=O 1 2.164 3 3 -4.88358445842826 15944782 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=C(O3)C)/NC2=O 1 1.605 3 4 0 -6.49532006071393 15944781 C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)NN=C/C=C/C4=CC=CO4 1 4.029 4 2 6.16947717294854 15944780 CN1C2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)S/C(=C\C5=CC=C(C=C5)OC)/C1=O 1 4.336 2 3 -10.2734173746223 15944779 C1=CC=C2C(=C1)N(C(=O)/C(=C\C3=CC=C(C=C3)F)/O2)CC(=O)NCC4=CC=CO4 1 2.753 2 4 -11.020862292578 15944778 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O 1 -0.916 0 15 0 -8.0342822038212 15944777 CC1=C(C=C(C=C1)NC(=O)C(=C2N(C(=O)C(=C/C=C/C3=CC=CC=C3)S2)C4=CC=CC=C4)C#N)C 1 6.026 3 2 -0.725222421333103 15944776 COC1=CC=C(C=C1)OCC2=NC3=C4C=C(C(=CC4=NC(=S)N3N2)OC)OC 1 2.445 4 4 0 -2.55549234611172 15944775 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=C(SC=C3)[N+](=O)[O-] 1 2.947 3 3 -7.4198290529629 15944774 COC1=C(C=C(C=C1)C2=CC(=NN2)N3C(=O)NC4=CC=CC=C4N3O)OC 1 2.756 5 4 0 -2.28441972798465 15944773 COC1=CC=CC(=C1)C2=CC(=NN2)N3C(=O)NC4=CC=CC=C4N3O 1 2.772 5 3 0 3.03419092209052 15944772 COC1=CC=C(C=C1)C2=CC(=NN2)N3C(=O)NC4=CC=CC=C4N3O 1 2.772 5 3 0 0.849677669750555 15944771 C/C(=C\C1=CC=CC=C1)/C=NNC2=NC(=CN=N2)C3=CC=C(C=C3)OC 1 3.823 5 1 0.681389032663604 15944770 C1=CC=C(C=C1)CC2=CN=C(S2)N3C(=O)C(SC3=N)C4=CC=CC=C4 1 4.443 3 1 -4.87000534020973 15944769 CCC(=O)O[C@@H]1[C@H]([C@]2(C(C[C@@H](C2(C)C)O)[C@]([C@@H]3[C@@]14C[C@@]([C@@H]([C@H]4O)CC3)(C)O)(C)O)O)OC(=O)C 1 -0.139 0 9 0 -9.347835222333 15944768 C=C1CCC2[C@@H]([C@@H]3[C@H]1CC(C3=C)O)OC(=O)[C@@]2(CO)O 1 0.344 0 5 0 -3.00656263979021 15944767 CC(CC/C=C(/C)\C(=O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C 1 7.363 0 3 -12.6671013979755 15944766 CO[C@H]1CC(/C(=C\C#N)/[C@@H]([C@H]1OC)O)OC2C(C(C(C(O2)CO)O)O)O 1 -2.604 1 9 0 -16.5571435562214 15944765 C[C@@H]1C(=O)O[C@H]2[C@]1(C34C(=O)O[C@H]5C3(C2)C6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@@H]6O4)O)O 1 -2.2e-002 0 9 0 -1.82406562185783 15944764 C[C@@H]1C(=O)O[C@H]2[C@]1(C34C(=O)O[C@H]5C3([C@H]2O)C6([C@@H]([C@H]5O)C(C)(C)C)[C@H](C(=O)O[C@@H]6O4)O)O 1 -1.753 0 11 0 -2.97199567900695 15944763 CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@@H]3C[C@@H](C(=O)C4(C)C)O)C)C)C)O)O 1 2.312 0 8 0 -2.65988936983535 15944761 C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].Br Br- 1 3.893 4 3 0 -4.21670702522065 15944760 C1=CC=C2C(=C1)N(C(=N)N2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)Cl.Br Br- 1 4.557 4 3 0 -1.41148043284183 15944759 CN1C2=C(N=C1NN/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C 1 0.534 8 4 0 -8.69188511667509 15944758 COC1=C/C(=C/NNC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)/C=CC1=O 1 1.145 4 5 0 -0.316132592449286 15944757 C1=CC=C2C3C4([C@@H]([C@H](N3N=CC2=C1)C(=O)C5=CC=C(C=C5)F)C6=CC=CO6)C(=O)C7=CC=CC=C7C4=O 1 4.606 2 4 -2.14701539128335 15944756 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2 1 1.46 2 6 0 -14.0390193135738 15944755 CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC=C(C=C3)C)O 1 5.718 0 5 -7.4845537298233 15944754 CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC=C(C=C3)Cl)O 1 5.896 0 5 -5.66255503923648 15944753 CC1=C(C(=CC=C1)NC2=CC(=C3C(=O)C=CC=C3N2)C)C 1 3.649 2 1 -2.10364905228321 15944752 C1C2C(CS1(=O)=O)SC(=[NH+]2)N.[Br-] Br- 1 -0.182 2 2 0 -5.07601848515933 15944751 CC(C)(C)C(=O)[C@H]1[C@@H](C2(C3N1N=CC4=CC=CC=C34)C(=O)C5=CC=CC=C5C2=O)C6=CC=CO6 1 4.273 2 4 -6.30547991433522 15944750 C[N+](C)(C)C1=CC=C(C=C1)C=NNC2=C(C(=C(C(=N2)Cl)C#N)Cl)Cl.[I-] I- 1 3.63 5 0 -5.44443582183398 15944749 CC1=CC=C(C=C1)NN/N=C\2/N=C3C(=N2)N(C(=O)N(C3=O)C)C 1 1.124 7 2 0 -5.45236107783108 15944748 C1=CC=C(C=C1)C=NNC2=NC(=C(S2)CC(=O)O)C3=CC=CC=C3.Br Br- 1 3.711 3 2 -0.373119057370585 15944747 C1CN(C2=CC=CC=C21)C(=O)CON/C=C/3\C=CC=CC3=O 1 0.936 2 3 0 -11.309201717006 15944746 CC1=C(SC=[N+]1CC(=O)OCCC23CC4CC(C2)CC(C4)C3)CCO.[Cl-] Cl- 1 3.998 1 3 3.60818199157021 15944745 CCO.CC1=CC(=NN1CCC2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4)C CCO 1 4.853 3 0 6.39347297594733e-002 15944744 CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CS2.Cl Cl- 1 3.727 2 3 -9.66852927171168 15944743 CC(C)[C@@H](C(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CC=C3 1 3.019 3 5 0 -31.9661650995423 15944742 CC(C)[C@@H](C(=O)OCC(=O)NC)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-] 1 0.431 4 8 0 -32.6104396318283 15944741 CC(C)[C@@H](C(=O)OCC(=O)NC1=CC(=CC=C1)F)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.881 2 6 0 -21.2135773718344 15944740 C1CCN(CC1)CC(=O)C2=CC=CC=C2Cl.Br Br- 1 3.157 1 1 -2.20754502168907 15944739 CCOC(=O)C1=C(/C(=C\2/CSC(=NN2)NC3=CC(=CC=C3)Cl)/N=C1C)C 1 3.088 4 2 -10.6904403093673 15944738 C[C@@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl)N3C(=O)C4CCCCC4C3=O 1 1.176 3 8 0 -27.2849706644501 15944737 CC(C)N(C(C)C)C(=O)COC(=O)[C@@H]1CC(CN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O 1 0.772 3 8 0 -17.3927809382371 15944736 CN1CCN(CC1)NC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3.Cl Cl- 1 0.842 4 4 0 -13.9598227512558 15944735 CC1=CC=C(O1)/C=C(\C#N)/C(=O)NC2=CC=CC3=C2C=CC=N3.Cl Cl- 1 2.648 3 2 -15.1823213524431 15944734 CC(=NNC1=NC(=O)C=C(N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC 1 2.606 4 2 -8.11206969785056 15944733 C1=CC=C(C(=C1)NC(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C#N)O 1 2.574 3 4 0 -9.86707379245413 15944732 COC1=CC=CC=C1/C=C/2\C(=O)N(C(=O)S2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 2.501 4 6 0 -15.0589647971118 15944731 CN(C)N=CC1=CC=C(O1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.99 4 5 0 -2.46388194606983 15944730 CC(=NNC(=O)C1=CC2=C(C=C1)OCCO2)/C=C/C3=CC=CC=C3 1 2.907 2 3 -8.18238579252758 15944729 C[C@]12CC3C4(O3)C(C1CC[C@@]2(C(=O)CO)O)CCC5=CC(=O)C=C[C@]45C 1 1.215 0 5 0 -2.98019174638231 15944728 CC1=CC=CC=C1C2(CCOC(C2)(C)C)CCN3CCCCC3.Cl Cl- 1 4.352 1 1 -6.42982631766069 15944727 CC1=CC(=CC=C1)NC(=O)C(=O)NN=C(C)CC(=O)NC2=CN=CC=C2 1 0.557 5 3 0 -7.48344438964053 15944726 CC1=CC=C(C=C1)NCCCC(=O)NN=C(C)C2=CC=CC=N2 1 2.657 4 1 -10.0083098131212 15944725 C1CCN(CC1)CC2=CC(=CC=C2)O.Cl Cl- 1 2.578 1 1 5.34936551556334 15944724 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)C3=CN4C=CC=NC4=N3 1 2.825 4 2 2.35860774102148 15944723 CC1=C2C(=CC=C1)SC(=N2)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 1 3.886 4 3 0 -15.5952192228634 15944722 CC1=CC(=C2C(=C1)N=C(S2)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C 1 4.372 4 3 0 -15.5886074390074 15944721 C1=CC=C(C=C1)S(=O)(=O)NCCC2=NN=C3N2N=C(C=C3)SCC(=O)NC4=NC5=CC=CC=C5S4 1 3.132 7 3 0 -17.3370112846473 15944720 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43 1 3.78 4 3 0 -19.0943973124488 15944719 COC1=CC=CC(=C1)NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4)OC5=CC=CC=C53 1 3.768 3 5 0 -5.52642594339436 15944718 CCOC1=CC=CC=C1NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4)OC5=CC=CC=C53 1 4.116 3 5 0 -9.86614939586079 15944717 CC1CN(C2=CC=CC=C2[N+]3=C1SC=C3)C(=O)NC4=CC=CC=C4.[Br-] Br- 1 3.992 3 1 -5.52271356510791 15944716 C1CN(C2=CC=CC=C2[N+]3=C1SC=C3)C(=O)NC4=CC=CC=C4.[Br-] Br- 1 3.529 3 1 -7.59609792894714 15944715 CC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CO2)O 1 3.341 0 3 4.63600170804637 15944714 C1CCN2CCC[C@H]([C@H]2C1)COC(=O)C3=CC4=CC=CC=C4OC3=O.Cl Cl- 1 3.355 1 4 -4.58962208804055 15944713 COC1=C(C(=CC(=C1)CNC2CCCCCCC2)Br)OCC#N.Cl Cl- 1 4.584 2 2 -2.79816235874324 15944712 CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=C(C2=O)C=C(C=C3)F)CC(=O)NC4=CC=CC=C4 1 3.701 2 4 -10.4028428492377 15944711 CC1=CC=C(C=C1)NC(=O)CN2C=C(C(=O)C3=C2C=CC(=C3)F)S(=O)(=O)C4=CC=CC=C4 1 3.701 2 4 -11.1421983501005 15944710 CC1=CC=CC=C1NC2=CC(=C3C(=O)C=CC=C3N2)C 1 3.162 2 1 -4.86775747766244 15944709 CC1=CC(=C(C=C1)C)NC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C(=O)N4C)C 1 1.785 4 5 0 -14.7188338392388 15944708 CC1=C(C=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C(=O)N4C)C)C 1 1.785 4 5 0 -13.8260318136191 15944707 CC1=CC=CC(=C1)C2=NC(=C(O2)C)CSC3=NC(=O)C4=C(N3)CCC4 1 3.819 3 2 1.06828796580322 15944706 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CSC3=NC(=O)C4=C(N3)CCC4 1 3.997 3 2 1.63532980709053 15944705 CC1=CC(=C(C(=C1)C)NC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C 1 3.963 2 3 -14.5645330983253 15944704 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C 1 3.85 3 3 -21.2560505195752 15944703 CC1=CC=C(C=C1)NC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.991 2 3 -14.4143669510494 15944702 CC(=O)OC1=CC=C(C=C1)C(=O)[C@H]2[C@@H]3[C@H]([C@H]4N2N=CC=C4)C(=O)N(C3=O)C5=CC6=CC=CC=C6C=C5 1 2.705 3 5 0 0.320365987094875 15944701 CC1=CC2=C(C=C1)OC(=O)C3=C2SC(=C3)C(=O)NC4=CC(=NO4)C5=CC(=CC=C5)F 1 5.197 2 4 1.92018568650979 15944700 C1=CC(=CC=C1CN2C(=O)C3=C(C=CS3)NC2=O)C(=O)NC4=CC(=CC(=C4)Cl)Cl 1 4.421 3 3 -8.25185356483587 15944699 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)Cl.Cl Cl- 1 1.899 4 3 0 -9.3239967877587 15944698 CC1=CC=CC=C1NC(=O)CN2C(=C(N=N2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)N 1 3.555 5 3 0 -19.612208300603 15944697 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=NC5=C(N4)C=NC=C5 1 3.888 5 2 0 -4.89554479782688 15944696 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=NC5=C(N4)C=NC=C5 1 4.877 5 1 -6.30622381905289 15944695 C1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)NCC4=CC=CO4 1 1.7 3 4 0 -10.4210073863611 15944694 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)NCCC4=CC=C(C=C4)Cl 1 3.756 3 3 -7.5457026331429 15944693 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)NCC4=CC=CO4 1 1.952 3 4 0 -11.82940558037 15944692 CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5[C@@H]6C[C@H](C5C4=O)C=C6 1 5.375 3 3 -9.59232202819766 15944691 C1=CC=C(C=C1)/C=C/C=NNC2=NC(=O)C(S2)CC(=O)O 1 2.176 3 3 -5.5789168111139 15944690 CC1C2=CC(=C(C=C2CCN1C(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4)OC)OC 1 4.747 1 4 -13.5318827384 15944689 CCOC1=C(C=C(C=C1)CCNC2=NN3C(=NN=C3C4=CC=CC=C4)C=C2)OCC 1 4.223 5 2 0 -6.79474320636916 15944688 CC1=CC=C(C=C1)CN2C(=O)C3=C(N=CC=C3)N=C2SCC(=O)NC4=CC(=C(C=C4)C)F 1 5.022 4 2 -12.5063239575525 15944687 CC1=C(N=C(O1)C2=CC=CC=C2Cl)CN3C4=C(C=C3C(=O)OC)OC=C4 1 4.302 2 4 7.46387017515965 15944686 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3C4=C(C=C3C(=O)OC)OC=C4 1 4.302 2 4 10.7614205324078 15944685 CCO.CC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C(=C3)C#N)N)N CCO 1 2.227 5 1 -9.78302468229997 15944683 CC1=C(C=[N+](C=C1)C\2=NC(=O)S/C2=C\NNC(=O)C3=CC=CC=C3[O-])C 1 2.323 4 3 0 -8.80860307074201 15944682 CC1=CC=C(C=C1)C2C3C(=NN2C(=O)C)C4CCN3CC4 1 1.896 3 1 0 -0.611420971920579 15944681 CCC(=O)N1C(C2C(=N1)C3CCN2CC3)C4=CC=C(C=C4)C 1 2.563 3 1 -2.37446652583113 15944680 C1CC2=C(C(C(=C3N2C4=CC=CC=C4C(=N3)N)C#N)C5=CC(=CC=C5)Cl)C(=O)C1 1 4.182 4 1 -17.1929754214489 15944679 C1CC2=C(C(C(=C3N2C4=CC=CC=C4C(=N3)N)C#N)C5=CC=C(C=C5)Cl)C(=O)C1 1 4.182 4 1 -15.8200785307513 15944678 COC1=CC=C(C=C1)C2=C[N+]3=C(N2C4=CC=CC=C4)CCCCC3.[Br-] Br- 1 5.295 2 1 1.73227753307565 15944677 CCO.CN1C2=C(C(=O)N(C1=O)C)[C@]3(C4=CC=CC=C4NC3=O)C(=C(O2)N)C#N CCO 1 -0.252 5 4 0 -14.949491116936 15944676 CCOC1=C/C(=C/NNC(=O)C(=O)NC2CC2)/C=C(C1=O)Br 1 -0.325 3 4 0 -7.50174645953709 15944675 CC1=CC(=C[N+](=C1)C\2=C(C3=CC=CC=C3C(=O)/C2=N\S(=O)(=O)C4=CC=CS4)[O-])C 1 3.563 2 4 -6.85306959901615 15944674 C1=COC(=C1)C(=O)NCC(=O)NN/C=C\2/C=CC(=O)C(=C2)[N+](=O)[O-] 1 -0.796 4 6 0 -10.928868342788 15944673 CCC1=C(SC=C1C(=O)NN/C=C/2\C=NN=C2C3=CC=C(C=C3)F)C 1 2.834 4 1 -3.87759851470228 15944672 CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC5=C(C=C4)OCO5 1 4.41 2 4 -4.82183861039467 15944671 CCOC1=CC=C(C=C1)C2=CS/C(=C(/C=C\3/C=CC(=O)C(=C3)[N+](=O)[O-])\C#N)/N2 1 2.819 3 4 0 -5.7717444795689 15944670 CCSC1=NN=C(S1)NC(=O)C2=C/C(=C/3\C=CC(=C(C3=O)C)C)/NN2 1 1.413 5 2 0 -15.5341519611364 15944669 C1CCC2C(C1)C2C(=O)NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.563 4 5 0 -4.61093723494217 15944668 CCN(CC)CC1=C(C=CC(=C1)NC2=NS(=O)(=O)C3=CC=CC=C32)OC(=O)C4=CC=CC=C4.Cl Cl- 1 4.399 3 4 0 -8.13322996035407 15944667 CCCNC(=O)C1=C(N=C(C(=N1)C)C)C(=O)NC2=CC(=CC=C2)Cl 1 2.48 4 2 -8.71299971712742 15944374 CCC1=CC=CC(=C1NC(=O)CSC2=NC(=C(O2)C)C)C 1 3.303 2 2 -10.4222869368203 15944368 C1=CC=NC(=C1)NC(=O)CSC2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Cl 1 3.401 4 3 0 -15.6826064311293 15943393 CC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCC(=O)N5 1 2.176 4 4 0 -10.5565890182554 15943387 CC(C)(CC(=O)NC1=CC2=C(C=C1)N(C=N2)CCC3=CC=CC=C3)CC(=O)O 1 3.336 3 3 -11.5421134611002 15935061 CC1=C/C(=N/NC(=O)C2=CC=CC=C2)/C=CC1=O 1 2.228 2 2 -7.08262535485457 15895902 CCC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C.[Na+] Na+ 1 3.36 2 4 -2.28990099921002 15885886 COC1=CC=C(C=C1)N2C=C([N+]3=C2CCCCC3)C4=CC=CC=C4.[Br-] Br- 1 5.295 2 1 3.24099863073359 15876402 CC(CN/C=C/1\C=CC=C(C1=O)OC)N/C=C/2\C=CC=C(C2=O)OC 1 6.1e-002 2 4 0 -5.71181939697253 15871826 COC1=CC=CC=C1N/N=C/2\C=CC(=O)C3=C2C=CC=N3 1 2.878 3 2 -0.763230446060866 15852342 CC1(CC(=O)C(=CNC2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)N)C(=O)C1)C 1 2.681 2 3 -12.9682715237866 15851531 CC(C1=CC=NC=C1)C(C)C2=CC=NC=C2 1 2.463 2 0 -0.503065294399342 15818204 C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC/C(=C/CO)/CO 1 2.981 0 4 -3.62948350746818 15811945 CC1=[N+](C2=C(S1)C=CC(=C2)OC)C.[I-] I- 1 2.594 1 1 0.686804480473638 15761314 CC1=CC(=O)N=C2N1NC3=CC=CC=C32 1 1.405 3 1 0 -5.15612316355749 15750483 C1C[N+](=C2N1C(=CS2)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)Br.[Br-] Br- 1 3.936 2 1 -2.07230611180407 15740792 CC(C)(C)C1=CC(=C2CSC3=[N+](C4=CC=CC=C4N3N2)C)C=C(C1=O)C(C)(C)C.[Br-] Br- 1 5.605 3 1 -4.21307656836527 15740787 C[N+]1=C2N(C3=CC=CC=C31)N=C(CS2)C4=CC=C(C=C4)OC.[Br-] Br- 1 4.227 3 1 -0.893210001743434 15674942 C[C@@H]1CC(=O)C2=C(O1)C(=C(C=C2OC)O)CCO 1 1.323 0 5 0 0.344799874717487 15649435 CN1C(C(=O)NC2=CC=CC=C2C1=O)CC3=CC=CC=C3 1 2.09 2 2 -8.72304111957823 15621812 CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O)OC 1 5.373 0 8 0 -5.29832819073901 15621809 CO[C@H]1[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC 1 2.294 0 8 0 -3.79707381955062 15578124 CC[N+]1=C2C=CC(=CC2=C(C=C1)C)SC(F)(F)F.CC1=CC=C(C=C1)S(=O)(=O)[O-] Cc1ccc(cc1)S(=O)(=O)O 1 6.147 1 0 8.11295218707346 15571694 CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C 1 0.334 0 7 0 -9.07729002972472 15566792 C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N 1 2.276 3 3 -2.12433699683088 15565709 CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2OC)Br)OC.Cl Cl- 1 2.73 2 3 -12.7579212646655 15564667 C1=CC(=CC(=C1)[N+](=O)[O-])NC2=C(C=CC3=NON=C32)[N+](=O)[O-] 1 2.738 5 5 0 -0.679074369593116 15563882 C1CN2C(=CSC2=N1)C3=CC(=C(C=C3)O)O.Cl Cl- 1 1.345 2 2 0 5.43514753794862 15563881 COC1=CC=C(C=C1)C2=CSC3=NCCN23.Br Br- 1 1.813 2 1 0 -0.414153286361801 15561862 CC1=C(C(=O)N=C(N1)C)N.Cl Cl- 1 -1.431 3 1 0 -6.05825584268662 15557748 C1C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)N1 1 1.6e-002 2 2 0 -7.05208309145685 15557555 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CN=CC=C3)C4=CC=CC=C4F 1 3.286 3 1 -6.86548581335272 15557180 C[N+]1(CCC2=CC(=C(C=C2C1)OC)OC)C.[I-] I- 1 0.59 1 2 0 -5.49941682349658 15539261 C[C@@H]1[C@H](C[C@@H](C1(C)C)C(=O)OC)C(=O)O 1 1.585 0 4 0 -3.99040761524302 15538510 CC1=CC(=CC2=[N+](C3=CC=CC=C3S2)C)C=C(O1)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 3.827 1 1 4.68897329535865 15504505 C1C[N+]2=C(N(C=C2C3=CC=CC=C3)C4=CC=CC=C4)SC1.[Br-] Br- 1 4.708 2 0 -1.32522360781892 15502790 CCOC1=CC=C(C=C1)NC(=S)NC2=CC=CC3=CC=CC=C32 1 5.607 2 1 -5.91960674440593 15496774 CC1=C(C=C(C(=N1)SC)C#N)C(=O)C[N+]2=CC=CC=C2.[Br-] Br- 1 2.782 3 1 -7.18261726921858 15496776 CC1=CC=[N+](C=C1)CC(=O)C2=C(N=C(C(=C2)C#N)SC)C.[Br-] Br- 1 3.268 3 1 -6.71502774026637 15496775 CC1=CC=CC=[N+]1CC(=O)C2=C(N=C(C(=C2)C#N)SC)C.[Br-] Br- 1 2.927 3 1 -8.48800410104358 15490486 CCCCN(C1=NC(=O)C(=C(N1)C)[N+](=O)[O-])C(=N)N2CCCCC2 1 1.997 6 3 0 -16.6178995080744 15446350 C=C(C1=CC=CC=C1)[N+]2=CC=CC(=C2)C(=O)O.[Br-] Br- 1 2.897 1 2 -3.17042982199509 15437236 C1CC(=O)C(C(=O)C1)C(C2C(=O)CCCC2=O)C3=CC=C(C=C3)Cl 1 2.671 0 4 1.60935662320603 15420790 C1C[N+]2=C(N(C(=C2)C3=CC=CC=C3)CC4=CC=CC=C4)SC1.[Br-] Br- 1 4.715 2 0 -6.56515611080706 15399740 C1CSC2=[N+]1C(=CN2C3=CC=CC=C3)C4=CC=CC=C4.[Br-] Br- 1 4.645 2 0 0.518505696637875 15382621 CC(=CCC1=CC(=CC(=C1OC)CC=C(C)C)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C 1 6.312 0 5 0.654756759648165 15337649 C[C@@H]([C@H](C1=CC=CC=C1)O)N(C)C(=O)CC2=CC=CC=C2 1 2.729 1 2 -6.1597500008089 15323993 COC1=C(C=C2C(=C1)CC[N+]3=CC4=CC(=C(C=C4C(=C23)C(=O)OC)OC)OC)OC.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.017 1 6 0 -7.18657051444754 15312078 CC(=C1C(=O)CC(CC1=O)(C)C)NC2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)N 1 3.195 2 3 -11.8186386909584 15311784 C1CSC2=[N+]1C(=CN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl.[Br-] Br- 1 5.31 2 0 3.10805226558814 15288908 C1=CC=C(C=C1)CN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43 1 2.962 3 2 -2.86175882299911 15272053 CN1C2=CC=CC=C2[N+](=C1N=NC3=CC=C(C=C3)N4CCOCC4)C.C1=CC=C(C=C1)S(=O)(=O)[O-] [O-]S(=O)(=O)c1ccccc1 1 4.609 5 1 4.75346587042001 15270872 COC1=CC=C(C=C1)C2=C[N+](=C3N2CCCCC3)CC(=O)C4=CC=CC=C4.[Br-] Br- 1 4.974 2 2 -0.128499667072665 15266433 CN1C=NC2=C1C=CN=C2NC3=CC=C(C=C3)OC 1 1.836 4 1 0 0.749991723945938 15261113 CC1=CC(=O)OC2=C1C=CC(=C2)OCCCC[N+]3=CC=CC=C3.[Br-] Br- 1 4.225 1 3 1.38356127351494 15211187 CC1=[N+](C2=CC=CC=C2N1N)CC(=O)C3=CC=CC=C3.[Br-] Br- 1 2.806 3 1 -0.659949717250251 15193546 CC1=CC(=CC(=[N+]1CC2=CC=CC=C2)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.827 1 0 6.51421330802599 15193386 C=CCNCC1=CC=CC=C1[N+](=O)[O-] 1 1.878 2 2 0 -5.03836485574687 15173739 CCOC(=O)C[N+]1=C(C2=C(C=C1)C3=CC=CC=C3N2)C.[Br-] Br- 1 3.129 2 2 -0.198967615506497 15166078 C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)CC(=O)O)CC4=C(C=C(C=C4)Cl)Cl 1 4.54 2 4 -12.7496513500541 15153221 CCC1(C2=CC=CC=C2NC1=O)CC 1 2.611 1 1 -5.92520377657382 15127809 C[N+](C)(C)CCC1=CC=C(C=C1)O.[I-] I- 1 0.628 1 1 0 0.277980646369192 15126682 C[C@@H]1[C@@H](OC2=C(C(=O)C(=C[C@]12CC=C)OC)OC)C3=CC4=C(C=C3)OCO4 1 2.599 0 6 -6.12163942328338 15118529 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=NC6=NC7=CC=CC=C7N6C=C5C[C@]34C 1 6.678 3 1 -8.40972769564163 15099240 C#CC[N+]1(CCOCC1)CC#CC2=CC=CC3=CC=CC=C32.[Br-] Br- 1 2.927 1 1 -1.93585303605212 15091645 C1=CC=[N+](C=C1)CCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])N.[Cl-] Cl- 1 1.467 4 3 0 -5.24101118902157 15091644 CN(C)C1=CC=[N+](C=C1)CCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])N.[Cl-] Cl- 1 1.629 5 3 0 -6.35173687914433 15074559 COC1=CC=C(C=C1)OS(=O)(=O)CC2=CC=CC=C2 1 2.955 0 4 -5.80795587861827 15060152 CC(CC(=O)O)NC1=CC=CC=C1O 1 1.503 1 3 0 -3.9416163333698 15055242 CC1(CC(=CC(=[N+]2CCCCC2)C1)N3CCCC3)C.[I-] I- 1 3.126 2 0 -2.99510638553014 15055241 CC1(CC(=CC(=[N+]2CCCCC2)C1)N3CCCCC3)C.[I-] I- 1 3.582 2 0 -2.99510638553014 15050929 CC(C)(C)OC(=O)NCCNS(=O)(=O)C1=CC2=C(C=C1)N(C3=C(C=CC=N3)NC2=O)C(=O)CN4CCN(CC4)C 1 0.717 7 6 0 -20.1746163826046 15008962 COC1=C(C(=NC=C1)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC(F)F)OC.[Na+] Na+ 1 2.883 3 4 0 3.45597662681599 14992068 C[C@@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@@H]1C)OC)OC)OC)O)OCO3 1 4.842 0 6 -1.43900418895043 14983099 C1CCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)Cl 1 3.866 0 2 -2.16412717895562 14975303 CC(C1=CC=CC=C1)NC2=C(C=CC=N2)C#N 1 2.867 3 0 -3.42482309901383 14972990 COC1=CC=C(C=C1)COC2=CC=CC(=C2)C=O 1 3.14 0 3 -2.59445146761553 14958972 CN(C)/C=C(\C=[N+](C)C)/C1=C(C=NN1)[N+](=O)[O-].[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 0.443 5 2 0 -4.04014013238594 14938489 C1C2C3C4C1C5C2C6(C3C4C5(NC6=O)N)O 1 -1.759 2 2 0 -3.21350152820844 14927511 COC1=CC=C(C=C1)C(=O)C[N+]2=CC3=C(C=C2)N(N=N3)C4=CC=CC=C4.[Br-] Br- 1 4.061 4 2 0.789922430221661 14925590 CN1/C(=C/C2=CC=[N+](C3=CC=CC=C23)C)/C=CC4=CC=CC=C41.[I-] I- 1 4.701 2 0 9.8775932181137 14896501 CC(=O)N(C)CC#CCN1CCCC(C1)CO 1 0.325 2 2 0 0.162036915407451 14893622 CC(C1CC1)N(CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3 1 5.829 2 0 -6.73365788099792 11182899 CC1=C(CCC1=O)C2=CC=CC=C2 1 2.76 0 1 -1.45241386110841 11175636 CC(=O)N1C(O/C(=C/2\C=CC=CC2=O)/N1)(C)CC(=O)NC3=CC=CC=C3 1 1.055 3 4 0 -10.4148312524874 11166279 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2CCCCC2)COC(=O)C)OC(=O)C)OC(=O)C 1 0.622 1 9 0 -29.3260373171728 11165495 COC1=CC(=C(C(=C1)OC)/C=C(/C(=O)C2=CC3=C(C=C2)OCO3)\C(=O)OC)OC 1 3.236 0 8 0 -4.17984841611163 11160608 COC(=O)C(CC1=CC=C(C=C1)O)N.Cl Cl- 1 0.857 1 3 0 -2.4351174945262 11148662 C1=CC(=CC=C1NCCN)[N+](=O)[O-].Cl Cl- 1 0.704 3 2 0 -4.55877465539465 11131481 COC(=O)C1=CC=[N+](C=C1)CC(=O)C2=CC=CC=C2.[Br-] Br- 1 2.545 1 3 -5.11607569788949 11106781 C1CCC2(CC1)CC(=O)C3=CC=CC=C3O2 1 3.202 0 2 -4.53370246095779 11101050 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)OCC2=CC=CC=C2)N 1 1.833 2 5 0 -17.8900180448263 11100437 C[C@@H]1[C@@H](OC2=CC(=O)[C@@H](C[C@]12CC=C)OC)C3=CC(=C(C=C3)OC)OC 1 3.067 0 5 -9.40980750222389 11081347 C[C@]12CCC3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O 1 1.137 0 7 0 -5.23580247378474 11073435 C1[C@H]2[C@@H]1[C@H](NC2)C(=O)O 1 -3.032 1 2 0 -3.56754989998215 11071264 C1CC[NH+](CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.[Cl-] Cl- 1 4.9 1 4 3.20334424852367 11065778 C[C@@H]([C@@H](C1=CC=CC=C1)O)C(=O)CC(=O)OC(C)(C)C 1 2.514 0 4 -7.83534054045245 11052947 CC1=C(C=C2C(=C1)C3=CC=CC=C3N2)OC 1 3.793 1 1 6.79633360902488 13664293 C1CN2C(=C3C=CC=CC3=N2)OC1 1 1.805 2 1 0 1.81870223340036 13647412 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O 1 -1.804 0 16 0 -10.4496986613984 13634471 C1CC2=C(C=CC3=C2C1=CC=C3)C(=O)C[N+]4=CC=C(C=C4)/C=C/C(=O)C5=C6CCC7=CC=CC(=C76)C=C5.[Br-] Br- 1 7.58 1 2 3.32451590201985 13708983 CC(=O)NC1=CC=C(C=C1)N2C(SCC2=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.254 3 4 0 -19.2486720899701 13579832 COC1=C(C(=C(C=C1)CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC)OC.Cl Cl- 1 5.418 2 3 -1.10074083075707 13575819 C1CC2=CC=CC=C2N(C1)C(=O)C[N+]3=CC=CC=C3.[Cl-] Cl- 1 2.807 2 1 -9.07056572368097 13573099 COC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)NCCC3=CC=CC=C3 1 2.269 2 3 -9.29962120463135 13564432 C[C@@H](C1=CC=CC=C1)NC(=O)CCC2CCC(=O)N2 1 1.248 2 2 0 -20.1089792677379 13552280 CC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[I-] I- 1 3.176 1 1 -1.80338780452204 13498910 [B-](F)(F)(F)F.C=C(C1=CC=C(C=C1)Cl)[N+]2=CC=CC=C2 F[B-](F)(F)F 1 3.931 1 0 1.14993580478769 13498909 [B-](F)(F)(F)F.C=C(C1=CC=CC=C1Cl)[N+]2=CC=CC=C2 F[B-](F)(F)F 1 3.931 1 0 -1.67437090805908 13498908 [B-](F)(F)(F)F.C=C(C1=CC=C(C=C1)Br)[N+]2=CC=CC=C2 F[B-](F)(F)F 1 4.015 1 0 -0.306723940313753 13498907 [B-](F)(F)(F)F.C=C(C1=CC(=CC=C1)Br)[N+]2=CC=CC=C2 F[B-](F)(F)F 1 4.015 1 0 -0.234134957801733 13498899 [B-](F)(F)(F)F.C=C(C1=CC=CC=C1)[N+]2=CC=CC=C2 F[B-](F)(F)F 1 3.267 1 0 -1.6897231448691 13485353 CCOC(=O)C1=NC(=C(S1)C(=O)C)C 1 1.21 1 3 0 -7.16121385674498 13481921 CC1=CC=C(C=C1)C2=CC3=CC=CC=[N+]3C=C2C4=CC=C(C=C4)C.[Br-] Br- 1 5.839 1 0 3.55654944804039 13471455 C1CC2CC1CC2NC(=S)NC3=CN=CC=C3 1 2.963 3 0 -4.23499877414958 13456556 CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)N)C.[Na+] Na+ 1 0.982 4 2 0 -2.32125785739467 13437577 CCC[N+]1=C(SC2=C1C=CC3=C2CCCC3)C.[I-] I- 1 4.997 1 0 -0.636198373460598 13413786 C1CC2CNC3=CC=CC=C3N2C1 1 2.109 2 0 -2.75981343164129 13402571 C1CC(=CC(=O)C1)C2=CN=CC=C2 1 1.619 1 1 0 -4.1743911099074 13384130 C1=CC=C2C(=C1)C=C(NC2=O)C3=CC=CC=N3.Cl Cl- 1 1.753 2 1 0 -2.0338740215867 13359061 C1CNCC=C1C2=CC(=C(C=C2)O)O.Cl Cl- 1 1.386 1 2 0 3.10646406628995 13355015 CC(/C(=N/O)/N)OC1=CC=C(C=C1)Cl.Cl Cl- 1 1.883 2 2 0 1.93893019793608 13354024 CC1(CC(=CC(=O)C1)C2=CC3=C(C=C2)OCO3)C 1 2.995 0 3 -8.2251455760204 13354023 C1CC(=CC(=O)C1)C2=CC3=C(C=C2)OCO3 1 2.537 0 3 -3.6680546053516 13348107 CCOC1=CC=CC=C1N/C=C/2\C(=O)C3=CC=CC=C3OC2=O 1 2.937 1 4 -6.01986840027045 13308302 C1=CC(=CC(=C1)CCC#N)CCC#N 1 2.569 2 0 -1.77991103653383 13275577 C1CN(C=CC1=O)CC2=CC=CC=C2 1 1.568 1 1 0 -2.63032075342479 13267259 CC(C)CC(C(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)OCC2=CC=CC=C2 1 1.719 3 6 0 -23.807709899402 13250147 C(=C(Br)Br)C(=O)O 1 1.451 0 2 0 0.300114653869806 13249183 C1=CC=C(C=C1)CN2C=CC(=O)C3=CC=CC=C32 1 3.15 1 1 -1.6473340287226 13228018 C1CN2CCC1C(C2)N(C3=CC=CC=C3Cl)C(=O)COC4=CC=C(C=C4)Cl.Cl Cl- 1 4.52 2 2 -1.75964098059779 13228017 C1CN2CCC1C(C2)N(C3=CC=C(C=C3)Cl)C(=O)COC4=CC=C(C=C4)Cl.Cl Cl- 1 4.52 2 2 0.85517375290647 13225557 CC1=C(C(=NC(=N1)N)SCC2=CC=C(C=C2)[N+](=O)[O-])N 1 1.92 5 2 0 -7.20293852641625 13221014 C1=CC=C(C=C1)CNC(=S)NC2=CC=NC=C2 1 2.945 3 0 -8.14008669173216 13212728 CC1=CSC(=[N+]1CC(=O)C2=CC=CC=C2)C.[Br-] Br- 1 2.521 1 1 -2.35474323347823 13185862 CC[N+]1=CN(C(=CC1(C)C)C)C2=CC=CC=C2.[I-] I- 1 2.639 2 0 5.25217727146765e-002 13185861 CC1=CC([N+](=CN1C2=CC=CC=C2)C)(C)C.[I-] I- 1 2.29 2 0 -0.794236953731835 13182760 CC(=O)OC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O 1 2.576 0 4 -1.69001984313739 13161694 CC1=C(C=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O)C 1 3.52 4 4 0 -5.4217935156052 13153024 COC(=O)C[N+]1(CCCCC1)C(CC=C)C=C.[Br-] Br- 1 1.173 1 2 0 -9.72908852027216 13133961 CC(C1=CC=CC=C1)[N+]2=CC=CC=C2.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 3.395 1 0 -0.948702749130332 13133475 C1=CC=C(C=C1)NNC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.093 3 1 -4.64470008549754 13092961 C1=CC=C2C=[N+](C=CC2=C1)C\3=NC(=O)S/C3=C\[O-] 1 1.966 2 2 0 -0.417711796284968 13088271 CC1=C(NC(=O)N=C1)SCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.84 3 3 -10.1210887705273 13075232 C1CCCC2(CC1)CC(=O)C3=CC=CC=C3O2 1 3.658 0 2 -4.53370246095779 13074351 C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC=CC4=CC=CC=C43.[Br-] Br- 1 4.507 1 1 6.86791381632946 13071436 COC1=CC2=C(C=C1)C(NCC2)CC3=CC(=C(C=C3)OC)O 1 3.101 1 3 -2.16746428288431 13027616 CC[N+]1=C2C=CC(=CC2=C(C=C1)C)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4.[I-] I- 1 6.616 1 1 0.197154333370468 13020032 C[N+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC)[O-] 1 2.587 1 5 -0.803546374249714 13015548 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4Cl)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.714 2 2 7.07879380735489 13005185 CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)C[N+]2=CC=C(C=C2)C.[Cl-] Cl- 1 1.787 3 4 0 -15.6853728361203 13005184 CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 1.301 3 4 0 -16.3412589594063 13004922 COC1=CC=C(C=C1)CC2=NN=C(O2)C3=CC=CC=C3 1 3.072 2 2 -3.99605566255461 13001404 CC1C(CC(O1)C[N+](C)(C)C)O.[Cl-] Cl- 1 -1.39 1 2 0 -3.8786915104555 12990547 CC(C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)OCC3=CC=CC=C3 1 3.802 3 5 0 -20.3417568862953 12968579 CCC(C)[C@@H](C(=O)O)NC(=O)N1CCCCCC1 1 2.213 2 3 -17.275736949103 12936671 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC3=CC=CC=C32)O 1 3.47 1 3 3.29490267229738 12905786 C1=CC=C(C=C1)C2=NOC(C2(Cl)Cl)(C3=CC=CC=C3)O 1 3.885 1 2 3.17336297901539 12891828 C1=CC=C(C(=C1)C(F)(F)F)NN.Cl Cl- 1 2.048 2 0 1.69669783749102 12871037 CC[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C.[I-] I- 1 5.131 2 0 8.06502353898316 12868332 C1C[C@H]([C@H]2C3=C(CCN2C1)C4=CC=CC=C4N3)O 1 2.435 2 1 -2.58200073918586 12863268 C1CCC2(CC1)C3=C(CCN2)C4=CC=CC=C4N3.Cl Cl- 1 3.741 2 0 -3.57219515848181 12861807 CCC1=C2C(=CC(=N1)C)C3=CC=CC=C3S2.Cl Cl- 1 3.973 1 0 3.93279847027766 12861805 CC1=NC(=C2C(=C1)C3=CC=CC=C3S2)C.Cl Cl- 1 3.306 1 0 5.76970223010604 12857937 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=CC=CC=N3 1 0.59 3 4 0 -3.93845049399352 12853623 C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)[N+](=O)[O-])O.[Br-] Br- 1 2.67 2 3 2.81611230582294 12852436 C1=CC(=C(C(=C1)Cl)Cl)C2=NC(=NC(=N2)N)N 1 2.443 5 0 1.59015526465253 12807919 CC1=[N+](C=CC2=C1N=C(N2C)C)CC(=O)C3=CC=CC=C3.[Br-] Br- 1 2.818 3 1 -1.06566117464497 12793099 CC1=C(N(C2=C1C=C(C=C2)Cl)CCC#N)C 1 3.604 2 0 5.43313273328944 12790923 COC1=C(C=C(C=C1)C2=CC=NC=C2)OC.Br Br- 1 2.165 1 2 2.24755599655449 12786859 COC1=CC2=C(C=C1)C(=NCC2)CC3=CC(=C(C=C3)OC)OC.Cl Cl- 1 3.555 1 3 -8.23567671570918 12784448 CC1=CC=C(C=C1)NC(=S)NC2=CC=CC3=CC=CC=C32 1 5.761 2 0 -4.74041738355376 12777399 C1=CC=C(C(=C1)NC(=O)NC2=CC=CC=N2)[N+](=O)[O-] 1 1.805 4 3 0 -6.10273355127089 12743577 C1=CC=C(C(=C1)C2=NNN=N2)N/N=C/3\C=CC(=O)C=C3O 1 1.479 6 2 0 -0.539682422788315 12718038 CCN(CC)CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl Cl- 1 2.416 2 4 -5.40337991367348 12703538 C1=CC\2=C(C(=O)C=C/C2=N\NC3=CC=C(C=C3)S(=O)(=O)N)N=C1 1 1.6 4 3 0 -4.88111247232695 12694595 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.05 2 2 7.28167658136668 12694583 CC1=CC(=CC(=[N+]1CCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 6.812 1 0 9.53541992614155 12676142 COC(=O)C1=C[N+](=CC=C1)CCC2=CNC3=CC=CC=C32.[Br-] Br- 1 3.488 2 2 -1.53718827309526 12655547 COC1=CC=CC(=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3 1 2.235 2 3 -2.90941099375288 12647563 CC1=CC=C(C=C1)C[N+]2=C(C=C(C=C2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 10.1 1 0 9.43572190573528 12646448 CC[N+]1=C(SC2=C1C=CC(=C2)OC)C.[I-] I- 1 2.943 1 1 3.27775776258177 12644971 CCN(CC)CCC(=O)C1=CC=C(C=C1)F.Cl Cl- 1 2.727 1 1 4.62807450069627e-002 12628631 CC1=CC=C(C=C1)NC(=O)NC2=NC=CN=C2 1 1.247 4 1 0 -3.37866704637634 12627147 CC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 9.237 1 2 -1.47472683045321 12627146 CC1=CC=C(C=C1)C2=CC(=CC(=[N+]2C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.265 1 2 -0.284320729692495 12627145 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)O)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 7.907 1 1 3.2146348856308 12627144 CC1=CC=C(C=C1)C2=CC(=CC(=[N+]2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.635 1 0 3.59693517246343 12627143 CC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)C)C4=CC=CC=C4)C5=CC=C(C=C5)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 9.607 1 0 2.69956053375096 12627139 CC1=CC=C(C=C1)C2=CC(=CC(=[N+]2C3=CC=CC=C3C(=O)O)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.265 1 2 2.34374113146049 12627138 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=CC=C4O)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 7.907 1 1 6.11803953730597 12627137 CC1=CC=CC=C1[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.635 1 0 2.53271420694767 12623459 C1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3=CC=CC=C3O 1 2.423 2 2 -0.534687294480155 12574638 C1=CC=C(C=C1)CCCS(=O)(=O)N 1 1.319 1 2 0 -3.24377866696941 12573566 C1=CC(=CC=C1NN=C2N=CC=N2)[N+](=O)[O-] 1 1.434 5 2 0 -3.8353063623251 12569925 CCOC1=C(NC(=O)C(=O)/C(=C(\O)/OCC)/C1)C2=CC=CC=C2 1 1.865 1 5 0 -3.44296514279063 12549420 CC1=CC2=C(C=C[N+](=C2C=C1)CC3=CC=CC=C3)C.[Cl-] Cl- 1 5.19 1 0 6.1549821540827 12546858 CC1=CC(=C(C(=C1)C)NC(=O)CN)C.Cl Cl- 1 1.447 2 1 0 -5.61939806236615 12546860 CC1=C(C(=CC=C1)C)NC(=O)CN.Cl Cl- 1 0.961 2 1 0 -6.53837568345511 12539171 CC1=[N+](C2=CC=CC=C2S1)CC(=O)C3=CC=CC=C3.[Br-] Br- 1 3.867 1 1 0.755478105768022 12532172 COC1=C(C=C(C=C1)Cl)NC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.719 2 2 -6.85525484220517 12531404 CCOC(=O)C1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.353 1 2 -4.40632243858541 12515962 COC1=CC=C(C=C1)C(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 3.119 2 3 3.52214822061567 12515961 COC1=CC=C(C=C1)C(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 3.035 2 3 4.97880796571711 12514561 CN(C)CCSC1C2=CC=CC=C2CSC3=CC=CC=C13.Cl Cl- 1 4.424 1 0 -2.72627711810292 12499516 CC1CNCC2=C1OC3=CC=CC=C23.Cl Cl- 1 2.213 1 1 -0.144998256410572 12485969 CC1=CC=C(C=C1)N2N=C(N=N2)C3=CN=CC=C3 1 2.417 5 0 0.313530634474488 12483768 C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C(=O)N)[N+](=O)[O-].[Br-] Br- 1 1.914 3 3 0 -4.26089133712218 12477066 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.149 1 0 1.93201265538751 12469447 C1=CC=C(C=C1)CCNC2=CC=CC=C2.Cl Cl- 1 3.543 1 0 -0.811408739055341 12462873 C1CCC2(C1)CC(=O)C3=CC=CC=C3O2 1 2.745 0 2 -4.17923394678971 12455410 CC(C(=O)O)N1CCCCC1.Cl Cl- 1 -1.832 1 2 0 -7.59854651857093 12444299 CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C.CS(=O)(=O)O CS(=O)(=O)O 1 3.149 4 2 -1.73655184918451 12440812 C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC3=CC=CC=C3.[Cl-] Cl- 1 4.992 1 0 1.47789881307909 12437873 CC1=CC=CC=C1C(=O)OC2CCN(CC2)C.Cl Cl- 1 2.282 1 2 -6.06121296381894 12434472 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Br)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.897 1 0 1.70009971997703 12434470 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 7.778 1 2 -1.94924324676841 12433743 CCOC(=O)C1=CN(/C(=C(\O)/OC(C)(C)C)/C1=O)CC2=CC=CC=C2 1 2.691 1 5 -7.77699075598694 12426536 CC(=O)N1C=C(C2=CC=CC=C21)NC3=CC=C(C=C3)[N+](=O)[O-] 1 3.557 3 3 1.52259309394025 12425557 CN1C2=CC=CC=C2[N+](=C1N=NC3=CC=C(C=C3)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-] [O-]S(=O)(=O)c1ccccc1 1 4.743 4 1 5.42887681259089 12418784 CC#CC[N+](C)(C)CC(=O)C1=CC=CC=C1.[Br-] Br- 1 1.362 1 1 0 -7.98817608656945 12414277 CC(=O)C1=CC2=C(C=C1)OC(C2)C(=C)CO 1 1.629 0 3 0 -4.93307054305959 12402750 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 8.82 1 0 11.6095231222245 12399585 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=CC=C3.[Br-] Br- 1 4.208 1 1 1.13749590591503 12397505 C1CNC2(CCN(CC2)C(=O)C3=CC=CC=C3)C4=C1NC=N4 1 0.653 4 1 0 -6.75958575790045 12369399 C1=CC=[N+](C=C1)C(C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)O.[Br-] Br- 1 2.018 2 5 0 -5.55291599269415 12369393 C1=CC=C(C=C1)C(C(C(=O)O)[N+]2=CC=CC=C2)O.[Br-] Br- 1 2.124 1 3 -5.49623680235266 12355689 C1CN=CC2=C1C3=CC=CC=C3N2.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 2.509 2 0 -0.928276264418131 12351784 C1=CC=C2C(=C1)NC3=NC=CN=C3S2 1 1.808 3 0 0 -1.82230723405926 12351713 C1=CC=C2C(=C1)C=CN=C2C(C3=CC(=CC=C3)Cl)O.Cl Cl- 1 3.581 1 1 0.98645902547681 12348491 C1=CC=C(C=C1)/C=C\2/C(=O)NC3=CC=CC=C3O2 1 2.517 1 2 -4.29981843828229 12347046 COC1=C(C=C(C=C1)Br)CSC(=N)N.Cl Cl- 1 2.739 2 1 -2.72315225342232 12339119 COC1=CC=CC=C1C2=CC(=O)CCC2 1 2.753 0 2 -4.69412430752797 12336881 COC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC=CC=C2 1 2.395 1 4 -1.11777146840398 12331236 CC1=C(C=C(C=C1)NC(=O)C[N+]2=CC=CC=C2)C.[Cl-] Cl- 1 3.043 2 1 -6.72198026889455 12331234 CC1=CC(=CC=C1)NC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.557 2 1 -4.68381412745009 12322791 CN(C)CCC(=O)C1=CC=C(C=C1)F.Cl Cl- 1 2.029 1 1 3.02237760280683 12316824 CC1=CC=CC=[N+]1CC(=O)C2=CC=CC=C2.[Br-] Br- 1 2.835 1 1 -3.95997252355307 12315418 CCC(C)/C=C(\C)/C=C/C1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)C)Cl 1 3.459 0 5 -2.31340940908634 12314926 CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2OC(=O)C)CC[C@H]3[C@@](C4[C@]1(C([C@@H]5[C@H]4O5)(C)C)O)(C)O)(C)O 1 5.7e-002 0 8 0 -9.46843651321473 12313750 COC1=C(C2=C(C=C1)[C@H]([C@H]3C4=CC5=C(C=C4CCN3C2)OCO5)O)OC 1 2.568 1 5 -4.81249571447744 12313332 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O 1 -0.916 0 15 0 -8.0342822038212 12310495 C[C@@]12CCCC([C@@]13C[C@H]3C(=CC2)C(=O)O)(C)C 1 3.221 0 2 -3.4035108961624 12309904 C1C(OC2=C(C1=O)C=CC(=C2O)O)C3=CC(=C(C=C3)O)O 1 2.131 0 6 4.46370454370784 12309360 CC[C@@H]1CN([C@H]2CC3=C(C(=O)C[C@@H]1[C@@H]2C(=O)OC)NC4=CC=CC=C34)C 1 3.451 2 3 -4.19526477677578 12308875 CC[C@H]1CN(C[C@@]2([C@H]1CC(=O)C3=C(C2)C4=CC=CC=C4N3)C(=O)OC)C 1 3.422 2 3 -3.47142960501534 12304971 C[C@H]1CCC2[C@@]([C@@]13CCC(O3)(CCO)CO)(CC[C@@H]([C@@]2(C)CO)O)C 1 1.064 0 5 0 1.95363196670312 12303809 C/C(=C\CC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)/C=C 1 5.332 0 2 -0.586140192706212 12301241 CC\1=NOC(=O)/C1=C\C2=CC3=C(C=C2)OCO3 1 1.481 1 4 0 1.56495059431608 12300156 CN1[C@H]2CC3=CC(=C(C=C3[C@@H]1CC4=CC(=C(C=C24)O)OC)OC)O 1 3.177 1 4 0.743667475114127 12296682 C1=CC=C(C=C1)C2=C(N=NC(=N2)NCCO)C3=CC=CC=C3 1 2.795 4 1 4.03627340775889 12295692 CN(C)CCCOC(=O)C1=C(C2=CC=CC=C2S1)Cl.Cl Cl- 1 3.704 1 2 0.656991997215709 12295689 CN(C)CCOC(=O)C1=C(C2=CC=CC=C2S1)Cl.Cl Cl- 1 3.641 1 2 0.756668428155451 12291565 CC1=CC=[N+](C=C1)CC2=CC=CC=C2.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 3.504 1 0 2.6843396273775 12291563 C1=CC=C(C=C1)C[N+]2=CC=CC=C2.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 3.018 1 0 1.88187472954894 12414022 CC(COC(=O)C1=CC=CC=C1)(COC(=O)C2=CC=CC=C2)/[N+](=C/C3=CC=CC=C3)/[O-] 1 4.162 1 5 -3.69814481040401 12285301 C[N+]1(CCCCC1)CCOC(=O)C2=CC=C(C=C2)OC.[I-] I- 1 1.37 1 3 0 -7.66107329874043 12284256 C=CC[N+]1(CCCC1)CC#CC2=CC=CC=C2.[Br-] Br- 1 2.217 1 0 -2.55287788156906 12273833 C=CC#CC[N+]1(CCOCC1)CC#CC2=CC=CC=C2.[Br-] Br- 1 2.034 1 1 -2.63469260146503 12273418 CN1C2=CC=CC=C2C(=O)/C(=C\NC3=CC=CC=C3)/C1=O 1 2.163 2 2 -1.28813044396854 12272817 C1=CC2=C(C=C1F)NC=C2CCO 1 2.045 1 1 2.50545466489462 12270236 CCOC(=O)CN1C(=O)CCC(=N1)C2=CC=C(C=C2)C 1 1.797 2 3 0 -8.98054166307231 12268927 C1=CC=[N+](C=C1)CC(=O)NC2=CC=CC=C2[N+](=O)[O-].[Cl-] Cl- 1 1.965 3 3 0 -9.29986073586365 12268926 C1=CC=[N+](C=C1)CC(=O)NC2=CC=CC=C2Br.[Cl-] Cl- 1 2.819 2 1 -8.05170071368586 12268923 COC1=CC=CC=C1NC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.054 2 2 -10.1031744283345 12267902 C1CNC(C2=CC=CC=C21)C3=CC=CC=C3.Cl Cl- 1 3.054 1 0 -8.264656718097 12261418 CC1=CC(=CC=C1)NC2CCCCC2NS(=O)(=O)C3=CC=CC=C3 1 4.115 2 2 -6.68175016697126 12253764 C1CN(C2=CC=CC=C21)C(=N)N.Cl Cl- 1 1.075 3 0 0 -7.00822570202802 12251343 COC1=CC2=C(C=C1)N(C(=C2)C(C3=CC=CC=N3)O)S(=O)(=O)C4=CC=CC=C4 1 3.934 2 4 -3.83142267694006 12247929 CC1=C[N+](=CC=C1)CC(=O)C2=CC=CC=C2.[Br-] Br- 1 3.176 1 1 -1.12473747553884 12239839 CNCC(=O)C1=CC=CC=C1.Cl Cl- 1 1.04 1 1 0 -3.80386311323422 12237889 C1=CC=C(C=C1)CN2C=CC(=O)C=C2 1 1.468 1 1 0 0.275687773494458 12230894 C1=C/C(=C\NNC(=O)COC2=CC=CC3=C2N=CC=C3)/C(=O)C=C1 1 1.028 3 3 0 -11.7925086099839 12224379 COC1=C(C=C(C=C1)CN=C(N)N=C(N)N)Cl.Cl Cl- 1 0.638 5 1 0 -0.697212213615483 12221201 C1=CC=C2C(=C1)C=CN=C2C(C3=CC=C(C=C3)Cl)O.Cl Cl- 1 3.581 1 1 1.4383167341338 12213410 C1=CC=C(C=C1)CN(CC(COC2=CC=CC=C2)O)CC(COC3=CC=CC=C3)O 1 4.146 1 4 -1.4285826525907 12208847 C1=CC=C(C=C1)S(=O)(=O)[NH-].[Na+] Na+ 1 0.638 1 2 0 -3.14437063970737 12200045 CC[N+]1=C(N(C2=C1C=C(C=C2)C(=O)OCC)C3=CC=CC=C3)C.[I-] I- 1 4.378 2 2 3.23535440515906e-002 12195643 CN1C2C(CCCCN2C3=C(S1(=O)=O)C=C(C=C3)F)Br 1 3.088 2 2 8.69993421968442e-002 12188108 COC1=CC=CC=C1C2=NOC(C2)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 2.006 2 5 0 -2.07849128342322 12187171 CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC(=C(C=C3)C4=CC=C(C=C4)OC)OC)(CC(C)C)C(=O)OC 1 3.489 2 6 0 2.32860418799408e-003 12187168 CC(C)C[C@@]1([C@@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)C)C(=O)N(C2=O)C)C(=O)OC 1 2.913 2 5 0 -0.540406026727838 12179987 COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)F 1 4.027 1 1 8.30932977394253 12167689 CCC1=C2CCC[C@H](N2C=C1C(=O)CC)CCO 1 2.887 1 2 -3.70014276851024 12167688 CCC1=C2CCC[C@H](N2C=C1C(=O)CC)CC(=O)OC(C)(C)C 1 4.251 1 3 -10.1549040938685 12167687 CCC1=C2C=CC[C@H](N2C=C1C(=O)CC)CC(=O)OC(C)(C)C 1 4.227 1 3 -10.674902964079 12167686 CCC1=CN(C=C1C(=O)CC)[C@@H](CCC(OC)OC)CC(=O)OC(C)(C)C 1 3.715 1 5 -13.8834724776602 12163896 C1COC(=O)NC1C2=CC=CC=C2 1 1.51 1 2 0 -2.10095693074571 12162133 COC1=CC=C(C=C1)C2=NOC(C2)C3(CC(C3)O)S(=O)(=O)C4=CC=CC=C4 1 2.115 1 5 -3.00609668829446 12143299 CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC=CN3)C(=O)C=C2 1 0.841 2 3 0 -8.16868601610717 12141321 CC1C(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C(=N1)N 1 1.352 4 1 0 -4.09236548063349 12118918 C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Br-] Br- 1 1.692 2 2 0 -3.70944382447183 12078618 C1=CC=C(C=C1)/C=C/C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4.[Cl-] Cl- 1 5.577 3 0 3.01226133991364 12064788 C1=CC=C(C=C1)C2=CC3=C(O2)C(=CC=C3)N 1 3.196 1 1 6.99229500066421 12043281 CC(=O)OC1=CC=CC=C1C(=O)NC2=CC(=O)C=CC2(OC)OC 1 0.984 1 6 0 -3.1404510492026 12034064 C1=CC=C(C=C1)C(CC(=O)NC2=CC=CC=C2)C(=O)O 1 2.29 1 3 -9.64236303956788 12030137 C1=CC2=C(C=C1C(F)(F)F)C(=CN2)CCO 1 2.782 1 1 4.6824260341074 12016171 CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@@H]([C@]([C@@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N 1 -0.267 2 8 0 -8.3533427701134 12006291 CCOC(=O)C1=C(C2=CC=CC=C2N=C1C)C3=CC=CC=C3.Cl Cl- 1 4.021 1 2 -1.40562774589091 12006290 C1CSC(=N1)N(CC2=CC=CC=C2)CC(=O)C3=CC=CC=C3.Br Br- 1 3.699 2 1 -7.9103929826844 12006289 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-].Br Br- 1 4.963 3 4 0 -19.5232267568006 12006288 COC1=CC=C(C=C1)C(=O)CN(CC2=CC=CC=C2)C3=NCCS3.Br Br- 1 3.683 2 2 -7.23468016227095 12006286 C1COCCN1C(CNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CS4.Cl Cl- 1 3.369 4 6 0 -18.7835154532086 12006285 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)C3=CC(=CC=C3)C 1 4.008 3 4 0 -32.1088556675495 12006284 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)C4=CC=CC=C4NS(=O)(=O)C5=CC=CC(=C5)C(F)(F)F.Cl Cl- 1 4.498 3 3 -1.64764803706788 12006283 CC1=CC=C(C=C1)C(=O)CN(CC2=CC=CC=C2)C3=NCCS3.Br Br- 1 4.185 2 1 -6.82171395312681 12006282 CC1=CC=C(C=C1)[N+]2=C(N=C(S2)NC)C3=CC=CC=C3.[Br-] Br- 1 4.394 3 0 2.86994377411338 12006281 C1CCC2=[N+](CC1)C3=C(N2CC(=O)NC4=CC=CC=C4)C=C(C=C3)C(F)(F)F.[Cl-] Cl- 1 4.995 3 1 -1.46842028766751 12006280 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)[C@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)Cl 1 3.32 3 5 0 -16.9301611871944 12006277 CCOC(=O)NN=C(C)/C=C/C1=CC=CC=C1 1 2.449 2 2 -4.84563022849411 12006275 CCC1=CC=[N+](C=C1)/C(=C(\C2=CC(=C(C=C2)C)[N+](=O)[O-])/[O-])/C(=S)NC3=CC=CC(=C3)C 1 5.907 3 3 -3.5840571782065 12006274 CC1=CC(=C(C(=C1)C)NC(=O)C/C(=C/C2=CC=C(C=C2)OC)/C3=NC4=CC=CC=C4S3)C 1 6.528 2 2 -3.88839300147971 12006273 CCOC1=CC2=C(C=C1)[N+](=C(S2)N)CC3=CC=CC4=C3N=CC=C4.[Br-] Br- 1 4.108 3 1 2.65438569828169 12006270 CCC(CO)[N+]1=C(C=C(C=C1C)/C=C\2/N(C3=CC=CC=C3S2)CC4=CC=CC=C4)C.[Br-] Br- 1 6.321 2 1 4.5217098813697 12006269 CC1=CC=C(C=C1)C(=O)OCCC2=C([N+](=CS2)CC3=CC=CC=C3)C.[Cl-] Cl- 1 5.608 1 2 0.394178089238643 12006268 CCOC1=CC2=C(C=C1)[N+](=C(S2)N)CC3=C4C(=CC(=C3)C)C=CC=N4.[Br-] Br- 1 4.594 3 1 4.66025127580202 12006267 COC1=CC2=C(C=C1)[N+](=C(S2)N)CC3=CC=CC4=C3N=CC=C4.[Br-] Br- 1 3.759 3 1 3.75348836795406 12006266 CC1=CC(=C2C(=C1)C=CC=N2)C[N+]3=C(SC4=C3C=CC(=C4)OC)N.[Br-] Br- 1 4.245 3 1 5.75935394547439 12006265 CN(C)C1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=CS2)C3=CC=CC=C3.Cl Cl- 1 3.975 3 2 -12.4012113208627 12006264 C1COCCN1C(CNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=CS4.Cl Cl- 1 2.705 4 6 0 -19.7539680812383 12006263 C1COCCN1C(CNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4.Cl Cl- 1 3.475 3 4 0 -14.6699528253313 12006262 C1COCCN1C(CNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=CS4.Cl Cl- 1 3.369 4 6 0 -16.8187928167545 12006261 CC\1=NN(C(=O)/C1=N/NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4 1 1.628 5 4 0 -19.9522433988605 12006260 CC(CNS(=O)(=O)C1=CC=CC=C1)(C2=CC=CC=C2)N3CCOCC3.Cl Cl- 1 2.384 2 3 -7.2273783868208 12006259 CC(C1=CC=CO1)N(C2=CC=CC=N2)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-].Cl Cl- 1 3.84 4 6 0 -14.5741311256009 12006258 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN2CC3=CC=CC=C3C2=N.Br Br- 1 1.7 4 3 0 -19.5314312082905 12006257 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN3CC4=CC=CC=C4C3=N.Br Br- 1 1.463 4 3 0 -20.9370740502149 12006256 CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC(=C2)OC)OC 1 3.87 2 6 0 -22.1987199182747 12006255 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O 1 3.142 3 5 0 -19.4660802986264 12006253 CC1=CC2=C(C=C1)OC(=CC2=[NH+]C3=CC=CC=C3)C4=CC=C(C=C4)OC.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 5.339 1 2 3.92263427446625 12006252 C[N+]1=CC=CC=C1C2CCCCC2=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[I-] I- 1 4.353 5 4 0 -5.57865709037203 12006251 CC1=CC(=NC2=CC=CC=C12)C3=CC=C(C=C3)N4CCOCC4.Cl Cl- 1 4.299 2 1 5.75707833326141 12006250 C1[C@H](N(CC1O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4 1 1.256 3 8 0 -18.0216002042213 12006249 CC1CCCC(C1C)NC(=O)COC(=O)[C@@H]2CC(CN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4)O 1 1.434 2 8 0 -20.4598643552802 12006248 C1CSC(=N1)N(CC2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)Cl.Br Br- 1 4.364 2 1 -4.99971526253999 12006247 C/C(=C\C1=CC=CC=C1)/C=NN2CCN(CC2)C3=CC=CC=N3 1 3.388 4 0 7.2841964223625e-002 12006246 CC1CN(C(=NC2=CC=C(C=C2)Cl)S1)CC(=O)C3=CC=C(C=C3)OC.Br Br- 1 4.718 2 2 -3.08390843049449 12006245 CC[N+](C)(CC)CC(COCC1COC2=CC=CC=C2O1)O.[I-] I- 1 0.484 1 4 0 -4.37522111369091 12006244 CN1CCC2=C(C1)C(=C3C=C(C=CC3=N2)Cl)C4=CC=CC=C4Cl.Cl Cl- 1 5.153 2 0 6.68579227480046 12006243 CN(C)C1=CC=C(C=C1)/C=C\2/CCCC(=C2N3CCOCC3)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC 1 4.099 3 5 0 -13.3490611162192 12006242 CC(C)(C)C1CCC(CC1)OCC(CN2CCN(CC2)CC3=CC=CC=C3)O.Cl Cl- 1 4.243 2 2 -1.808966811812 12006241 CCN(CC)C1=CC=C(C=C1)/C=C/2\CCC(=C2N3CCOCC3)C=NNC(=O)C4=CN(C(=O)C=C4)C 1 2.363 5 3 0 -13.8349904305637 12006240 C\1CC(=C(/C1=C/C2=CC(=CC=C2)[N+](=O)[O-])N3CCOCC3)C=NNC(=O)C45CC6CC(C4)CC(C6)C5 1 4.276 4 4 0 -10.4252622528335 12006238 CC\1(C2=CC=CC=C2N(/C1=C/C(=O)COC(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/C#N)C)C 1 4.395 3 3 -2.51972283450459 12006237 CC(C(=O)NCC(=O)NC1=C(C(=C(C=C1)F)F)F)SC2=NN=NN2C3=CC=C(C=C3)OC 1 2.58 6 3 0 -21.8228508870328 12006236 CC1=CC=C(C=C1)N2C(=NN=N2)SC(C)C(=O)NC3=CC=CC=C3C4=CC=CC=C4 1 4.925 5 1 -10.9844781993656 12006235 CC1=CC(=C(C=C1)N2C(=NN=N2)SC(C)C(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F)C 1 3.569 6 2 0 -22.3378809910236 12006234 CCOC1=C(C=C(C=C1)CN(C)C(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC 1 3.899 3 5 0 -10.3414144140798 12006233 C1=CC(=C[N+](=C1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)CNC(=O)C3=CC=C(C=C3)OC(F)F.[Cl-] Cl- 1 5.274 3 3 -5.56038188105049 12006232 CC1CN(CC(O1)C)CC(COC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)O.Cl Cl- 1 4.645 1 3 -7.48005378440573 12006231 CC(=O)C1=CC(=C(C=C1)OC)CC(C(=O)C2=CC=CC=C2)N(C)C.Cl Cl- 1 3.339 1 3 -4.35109146970673 12006227 COC1=CC=CC=C1NC(=O)CC2=NC(=CS2)CCl.Cl Cl- 1 2.31 2 2 -9.03322315908474 12006226 COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C(=O)NC2=CC=CC3=C2C=CC=N3.Cl Cl- 1 3.058 3 4 0 -15.9948604710282 12006225 C1CC(OC1)CNC2=NN=C(CS2)C3=CC=C(C=C3)Cl.Cl Cl- 1 3.17 3 1 -4.35339883236274 12006223 C=CCN\1C(=CS/C1=C(/C#N)\C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)C5=CC(=CC=C5)C(F)(F)F.Br Br- 1 4.754 6 1 0 -5.02021758653141 12006222 C1CCCC(CC1)NCC(=O)C2=CC=CS2.Cl Cl- 1 3.308 1 1 -4.15316495618665 12006221 C1=CC=C(C=C1)C[N+]2=C(SC=C2C3=CC=CC=C3)NC4=CC=CC=C4.[Cl-] Cl- 1 5.567 2 0 2.22677015035668 12006220 COC1=CC=CC(=C1)C(=O)OC2=CC=CC=C2/C=C\C(=O)C3=CC4=CC=CC=C4O3 1 5.712 0 5 -8.13682200465528e-002 12006219 CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=O)C3=CC=CC=C3 1 2.376 4 4 0 -25.9977918710074 12006218 CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3CCCC4=CC=CC=C34)C 1 4.466 4 1 -18.1828945908925 12006217 C1CC1C(=O)NN2CC3=CC=CC=C3C2=N.Br Br- 1 0.979 3 1 0 -6.78896137851475 12006216 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC(=S)N(C)C 1 4.116 2 1 -10.1703231774804 12006215 COC1=C(C=CC(=C1)C=NOCC(=O)NC23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5 1 4.449 2 4 -8.91658542203306 12006214 CCC1=CC=C(C=C1)NC2=NN=C(S2)SC3CCOC3=O 1 2.966 3 2 -5.34567504674944 12006213 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=NN=C(N3N)C4=C(C=C(C=C4)Cl)Cl 1 4.698 5 1 -13.130584821039 12006212 CCC1CCC2=C(C1)C=C(S2)C3=NN=C(N3CC=C)SCC(=O)NCCOC 1 3.998 4 2 -24.7338609980837 12006211 CC1CCN(CC1)CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC 1 2.489 3 4 0 -12.6840699896872 12006210 CCC1CCC2=C(C1)C=C(S2)C3=NN=C(N3CC=C)SCC(=O)N 1 3.923 4 1 -16.0952762660822 12006209 C1CS(=O)(=O)CC1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 3.216 4 3 0 -17.2947182559938 12006208 CNC1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-] 1 3.19 2 5 0 -7.33255833705167 12006207 CCOC1=C(C=CC(=C1)/C=C/C2=NC3=C(S2)C=C(C(=C3)C)C)OCC(=O)N4CCOCC4 1 4.548 2 4 -9.39162449018147 12006206 CC1=CC(=C(C=C1NC(=O)CN2CCN(CC2)C3=CC=CC=C3F)OC)[N+](=O)[O-] 1 3.155 4 4 0 -5.9205192184456 12006205 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)CNC(=O)C(=O)NCC3=CN=CC=C3 1 0.478 4 5 0 -18.257403550111 12006204 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC3=NC4=C(C=CC=C4S3)C 1 2.437 5 5 0 -17.8158499855897 12006203 CC1=C(C=C(C=C1)C2=NC3=C(S2)N=CC=C3)NS(=O)(=O)C4=CC5=C(C=C4)N=C(S5)C 1 4.205 4 2 -0.283022385972169 12006202 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC3=NC4=C(C=C(C=C4S3)C)C 1 3.951 4 3 0 -13.5423425692452 12006201 CC1=CC=CC=C1N2C(=C3CSCC3=N2)NC(=O)/C=C\C4=CC5=C(C=C4)OCO5 1 4.205 3 3 -8.28039520409106 12006200 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(C=C2)C3=CC=CS3 1 4.802 3 1 -11.3494840285747 12006199 C1=CSC(=C1)C2=NN=C(C=C2)SCC3=CC=C(C=C3)F 1 4.982 2 0 -3.01023700768881 12006198 CC1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=C(C=CC(=C4)C)C 1 4.846 2 3 -13.764870670827 12006197 CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC=CS3 1 4.322 3 1 -13.4459059702291 12006196 C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)N4CCC5=CC=CC=C5C4 1 3.47 3 3 -18.227593721775 12006195 CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC4=CC=CC=C4OC3=O.Cl Cl- 1 4.163 3 3 -8.02361602199076 12006194 CC1=CC(=C(C=C1)NC(=O)CSC2=NN3C(=NN=C3CCNC(=O)C4=CC=CC=C4)C=C2)C 1 3.775 6 2 0 -24.2318434829458 12006193 CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CS3)C 1 4.802 3 1 -9.95960634370965 12006192 CC1=CC(=CC=C1)CSC2=NN=C(C=C2)C3=CC=CS3 1 5.262 2 0 -3.22772957808289 12006191 CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=NC4=CC=CC=C4S3.Cl Cl- 1 4.623 4 1 -3.28047853732198 12006190 CC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C3=C(SC(=C3)Cl)Cl.Cl Cl- 1 4.651 3 1 -0.412640953066782 12006189 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC(=CC=C4)Cl 1 4.072 2 2 -13.5769375872249 12006188 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3 1 3.486 4 2 -7.61707286991326 12006187 CC1=CC2=C(C=C1)N=C(S2)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 1 3.886 4 3 0 -13.990023609387 12006186 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC3=NC4=C(S3)C=C(C=C4)Cl 1 2.615 5 5 0 -14.7264582129499 12006185 CC(C(C1=CC=CS1)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.152 2 3 -8.26577824153589 12006184 C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C4=NC5=C(S4)N=CC=C5 1 4.888 3 2 -0.166897930165131 12006183 CC1=C(C=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C)C4=NC5=C(S4)N=CC=C5 1 4.205 4 2 -0.567055956519007 12006182 CNC(=O)C1=C(SC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 2.377 3 4 0 -25.1974495451779 12006181 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)C(=O)NCC3=CC=CO3 1 0.351 3 6 0 -18.9981224893658 12006180 CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN3C(=NN=C3CCNC(=O)C4=CC=CC=C4)C=C2)C 1 4.262 6 2 0 -22.6946179291403 12006179 C1COC(N1S(=O)(=O)C2=CC=CS2)CNC(=O)C(=O)NCC3=CC=C(C=C3)Cl 1 1.415 3 5 0 -14.8441037595942 12006178 CC1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4C 1 4.359 2 3 -15.5922509832986 12006177 CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)CCC3=CC=CC=C3.Cl Cl- 1 4.624 3 1 -4.79087403991845 12006176 CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)C 1 1.718 3 6 0 -17.473444375344 12006175 COC1=CC=C(C=C1)N2CCN(CC2)C(CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CO5 1 3.179 3 6 0 -12.6546206942882 12006173 CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=C(C4=CC=CC=C4S3)Cl.Cl Cl- 1 5.951 3 1 2.15686693883755 12006172 CC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 4.492 3 1 -2.89686798514533 12006171 C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=CS3 1 3.832 3 1 -10.9113670629179 12006170 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C4=NC5=C(S4)N=CC=C5 1 3.719 4 2 2.6196952283432 12006169 CC1=CC(=C2C(=C1)SC(=N2)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C 1 4.372 4 3 0 -14.3481748144604 12006168 CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=NC4=CC=CC=C4S3.Cl Cl- 1 4.623 4 1 -2.56783893989858 12006167 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC3=NC4=C(C=CC=C4S3)C)C 1 3.784 4 3 0 -16.0491951462718 12006166 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC3=NC4=C(C=C(C=C4S3)C)C 1 2.923 5 5 0 -16.6661998037114 12006165 CCSC1=NN=C(C(=O)N1COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C 1 2.17 4 5 0 -23.6015934298274 12006164 CC1=CC=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)/C=C\C4=CC5=C(C=C4)OCO5 1 4.205 3 3 -4.22938563309056 12006163 CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)CCC3=CC=CC=C3.Cl Cl- 1 4.624 3 1 -5.419089591691 12006161 CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=C(C4=CC=CC=C4S3)Cl.Cl Cl- 1 5.951 3 1 0.870765485932346 12006160 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)CCC3=CC=CC=C3.Cl Cl- 1 4.343 3 1 -4.94582127291505 12006159 CN(C)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC(=CC=C3)Cl.Cl Cl- 1 4.913 3 1 -1.7990164231968 12006157 CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=C(SC(=C3)Cl)Cl.Cl Cl- 1 4.37 3 1 -0.176604765037246 12006156 CC1=CC(=C(C=C1)C)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4 1 4.594 2 3 -11.0757610669226 12006155 CC1=C(SC(=N1)C)CCNC(=O)C2=CC=CC=C2 1 1.946 2 1 0 -11.479934626476 12006154 COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3)OC 1 3.121 4 3 0 -11.768002258094 12006153 C1=CC=C(C(=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC=CS3)Cl 1 4.5 3 1 -14.9069396272374 12006152 C1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=CS3 1 3.376 3 1 -10.9113670629179 12006151 CC1=CC(=CC=C1)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 3.894 2 2 -14.7443805235025 12006150 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)Cl 1 4.072 2 2 -13.4167662879869 12006149 CCS(=O)(=O)NCC(C1=CC=CO1)N2CCN(CC2)C3=CC=CC=C3 1 2.182 3 3 -9.42827024654459 12006148 CC1(CCCC(N1CC(COCCOC2=CC=C(C=C2)Br)O)(C)C)C.Cl Cl- 1 4.141 1 3 -2.52418996414947 12006147 CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=CS3)C 1 3.251 2 2 -9.99053822215936 12006146 CC(C(C1=CC=CS1)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.609 2 3 -7.91924016155602 12006145 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC4=C(CCCC4)C=C3.Cl Cl- 1 5.365 3 1 -5.797566331132 12006144 CN(C)CCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 4.417 3 1 -2.00616164647702 12006143 CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 4.211 3 1 -2.42359966636937 12006142 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)F 1 3.613 2 2 -14.5268879531085 12006141 CC1=CC=C(C=C1)CSC2=NN=C(C=C2)C3=CC=CS3 1 5.262 2 0 -3.72211403315406 12006140 CC1=C(C=C(C=C1)C2=NC3=C(S2)N=CC=C3)NS(=O)(=O)C4=CC5=C(CCCC5)C=C4 1 5.374 3 2 -2.88131895014669 12006139 C1CSC2=[N+]1C(CN2C3=CC=CC=C3)(C4=CC=C(C=C4)F)O.[Br-] Br- 1 3.785 2 1 -3.9784213959242 12006138 CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(C2=CC=CS2)N3CCOCC3 1 2.89 2 3 -8.63111718702127 12006137 CCC1=C(C(=CC=C1)CC)NC(=S)NCC(C2=CN=CC=C2)N3CCOCC3 1 4.685 4 1 -17.8274170356029 12006136 CCOCCSC1=NC\2=C(CC/C2=C/C3=CC=CS3)C(=C1C#N)C4=CC=CS4 1 6.258 2 1 -12.5201161894654 12006135 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC3=NC4=CC(=CC(=C4S3)C)C 1 2.923 5 5 0 -17.9066324282585 12006134 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC3=NC4=C(C=CC=C4S3)C 1 3.464 4 3 0 -14.6919927511235 12006133 CC(C)OC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)N3CCOCC3 1 1.835 4 4 0 -24.5460896437944 12006132 C1CC(OC1)CNC(=O)/C(=C/C2=CC=C(C=C2)Cl)/NC(=O)C3=CC=CC=C3 1 3.018 2 3 -21.5712885372098 12006131 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)CCC3=CC=CC=C3.Cl Cl- 1 4.802 3 1 -3.2092836542302 12006130 C1C2C(CS1(=O)=O)SC(=N2)N(CC3=C(C=C(C=C3)F)Cl)C4=CC=CC=C4F 1 4.569 2 2 -5.4835138979653 12006129 CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5 1 5.242 3 3 -2.87238209224025 12006128 CCN(CC)C(=O)CN1C2=C(SC(=S)N2C3=CC=CC=C3C1=O)C4=CC(=CC=C4)Cl 1 5.316 3 2 -7.36576015760377 12006127 COCCNC(=O)CN1C2=C(C(=O)N(C1=O)CCCCCC(=O)NC3=CC=CC=C3)SC=C2 1 1.977 4 5 0 -23.5422863684759 12006126 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC3=NC4=C(C=C(C=C4S3)C)C)C 1 4.27 4 3 0 -14.8995449643935 12006125 CC1=CC(=C2C(=C1)SC(=N2)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C 1 3.631 4 3 0 -13.2066120064349 12006124 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C4=NC5=C(S4)N=CC=C5 1 3.719 4 2 2.00822655408237 12006123 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC3=NC4=C(S3)C=CC(=C4C)C 1 2.923 5 5 0 -19.2767216794001 12006122 CS(=O)(=O)NCC(C1=CC=CO1)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.038 3 3 -7.61086086666409 12006121 CC1=NN=C(N(C1=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)SC 1 1.048 4 6 0 -23.6834180365131 12006120 C1CN(CCN1C2=CC=CC=C2F)C(CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CO5 1 3.401 3 5 0 -11.7658373651548 12006119 CC1=NN=C(N(C1=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)SC 1 1.822 4 5 0 -21.3707668008953 12006118 C1CC1C(=O)NC2=NN=C(S2)SCC3=CC(=O)C(=CO3)OC(=O)C4=CC=CC=C4 1 2.187 3 5 0 -19.1307749731644 12006117 C1COCCN1C(CNC(=S)NC2=CC(=CC=C2)F)C3=CN=CC=C3 1 3.005 4 1 -16.0623739650593 12006116 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)C(=O)NCC3=CN=CC=C3 1 1.9e-002 4 5 0 -19.3675252152325 12006115 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCC3=CNC4=CC=CC=C43)C 1 3.037 4 5 0 -17.512010111162 12006114 C1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4=CC=CS4 1 3.047 3 5 0 -20.6791731661514 12006113 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)C(=O)NCCCN3C=CN=C3 1 -0.61 5 5 0 -16.7243457235613 12006112 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC=CO3)C 1 1.604 3 6 0 -15.8070135746771 12006111 CC1=CC=C(C=C1)C2(CN(C3=[N+]2CCS3)C4=CC=CC=C4)O.[Br-] Br- 1 4.066 2 1 -4.69029842138945 12006110 CCCS(=O)(=O)C1=NC(=C(S1)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)C 1 4.638 2 6 0 -19.0477868733024 12006109 C1CC(OC1)CNC(=O)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N(C3=O)CC5=CC(=CC=C5)[N+](=O)[O-] 1 3.632 4 6 0 -20.1841998626239 12006108 COC1=CC=C(C=C1)N2CCN(CC2)C3=C4C=C(C=CC4=NC=C3S(=O)(=O)C5=CC=CC=C5)OC 1 4.877 3 4 0 -1.84757158469968 12006107 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCN(CC3)C4=CC=CC=C4OC 1 5.433 4 4 0 -10.0060084539867 12006106 C1CC(CCC1CN2C(=O)C3=CC=CC=C3N(C2=O)CC4=CN=CC=C4)C(=O)NCCC5=CC=CC=C5 1 4.265 4 3 0 -14.6910726356921 12006105 COC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 2.683 4 4 0 -16.3165435881149 12006104 COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CN=CC=C4 1 1.86 5 3 0 -17.28927927663 12006103 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=C(C=CS3)C(=O)NN(C)C 1 2.297 4 4 0 -12.6437354242328 12006102 CC1=CC=CC=C1NC(=S)NCC(C2=CN=CC=C2)N3CCOCC3 1 3.286 4 1 -19.4136325672129 12006100 CC1CCN(CC1)CC(COCCOC2=CC=C(C=C2)Br)O.Cl Cl- 1 3.228 1 3 -5.6682120881186 12006099 CCCN(CCC)C(=O)CN1C2=C(C(=O)N(C1=O)CCCCCC(=O)NC3=CC=CC=C3)SC=C2 1 4.058 4 4 0 -22.4503220424377 12006098 COC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5 1 4.894 3 3 -1.77327942256788 12006097 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=N4 1 2.091 5 2 0 -15.5835130124435 12006096 COC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CC=CC=N4 1 2.075 5 3 0 -16.7833750460973 12006095 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN4C(=NN=C4C5=CC(=C(C=C5)OC)OC)C=C3 1 4.574 6 3 0 -10.9055443296618 12006094 CCS(=O)(=O)C1=NC(=C(S1)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.706 2 5 0 -14.463353616784 12006093 COC(=O)C1=CC2=C(C=C1)N=C(S2)NC3=NC4=C(S3)C=C(C=C4)F 1 4.054 3 2 -1.47379774483145 12006092 COC1=C(C=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)NC4=NC=CS4)OC 1 2.459 6 3 0 -15.7308885521384 12006091 CCCS(=O)(=O)C1=NC(=C(S1)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)C 1 5.298 2 4 -17.6479685604429 12006090 C1CC(CCC1CN2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC(=CC=C4)Cl)C(=O)NCCC5=CC=CC=C5 1 6.08 3 3 -10.8474236831222 12006089 C1CC(CCC1CN2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC(=CC=C4)F)C(=O)NCCC5=CC=CC=C5 1 5.622 3 3 -11.4022658066236 12006088 CCN(CC)C(=O)CN1C2=C(SC(=S)N2C3=CC=CC=C3C1=O)C4=CC=CC=C4C 1 5.137 3 2 -11.7808704056142 12006087 C1COC(N1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)CNC(=O)C(=O)NCC4=CC=CC=C4 1 0.75 3 7 0 -20.8336516355556 12006086 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCCN3C=CN=C3)OC 1 -0.848 5 7 0 -21.859435804126 12006085 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)CNC(=O)C(=O)NCCC3=CNC4=CC=CC=C43 1 2.243 4 5 0 -19.592997360729 12006084 CC1=CC=C(C=C1)CNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.236 3 7 0 -20.018836730776 12006083 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CC=CO3 1 0.632 3 6 0 -19.709999514831 12006082 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)CNC(=O)C(=O)NCC3=CC=CO3 1 0.81 3 6 0 -17.8880008242442 12006081 COC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)C4COC5=CC=CC=C5O4.Cl Cl- 1 3.839 2 5 0 -11.8589628401294 12006080 CC1=CC=CC(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4CC4 1 2.673 3 5 0 -18.9459014017458 12006079 CC1=CC=C(C=C1)C(=O)NCCC2=NN=C3N2N=C(C=C3)SCC(=O)NC4=C(C=C(C=C4)C)C 1 4.262 6 2 0 -24.0826106076463 12006078 CC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)/C=C/C3=CC=CS3.Cl Cl- 1 4.492 3 1 -2.26865243337277 12006076 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=C(C4=CC=CC=C4S3)Cl.Cl Cl- 1 5.67 3 1 2.00191970584095 12006075 CC1=CC=C(C=C1)C(=O)NCCC2=NN=C3N2N=C(C=C3)SCC(=O)NC4=C(C=C(C=C4C)C)C 1 4.748 6 2 0 -22.3635889653022 12006074 CC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=C(SC(=C3)Cl)Cl.Cl Cl- 1 4.651 3 1 -2.16575320406485e-002 12006072 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4OC3=O.Cl Cl- 1 3.882 3 3 -7.5503477032148 12006071 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN4C(=NN=C4C5=CC=C(C=C5)Cl)C=C3 1 4.896 5 1 -10.375234713059 12006070 C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 2.231 1 5 -8.36166771139505 12006069 CCCS(=O)(=O)C1=NC(=C(S1)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)C 1 4.052 2 5 0 -18.6239329372651 12006068 CC1=CC=CC=C1CN2C3=CC=CC=C3C(=O)N(C2=O)CC4CCC(CC4)C(=O)NCCC5=CC=CC=C5 1 5.902 3 3 -14.4019738266547 12006067 C1CC(CCC1CN2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4Cl)C(=O)NCCC5=CC=CC=C5 1 6.08 3 3 -13.4111086542644 12006066 CC1=CC(=CC(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4CC4)C 1 3.159 3 5 0 -19.1749083184345 12006065 CC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4CC4 1 2.673 3 5 0 -18.3351274056551 12006064 C1COC(N1S(=O)(=O)C2=CC=CS2)CNC(=O)C(=O)NCC3=CC=C(C=C3)F 1 0.956 3 5 0 -15.9542254247158 12006063 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NCC3CCCO3 1 2.839 2 3 -22.7695834773716 12006062 C1=CC=C(C=C1)C2=CSC(=N)N2N=CC3=CC=CO3.Br Br- 1 2.845 3 1 -2.05681800449148 12006061 C1COC(N1S(=O)(=O)C2=CC=CC=C2)CNC(=O)C(=O)NCC3=CC=CO3 1 0.146 3 6 0 -20.703403380592 12006060 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CN=CC=C3)C 1 1.272 4 5 0 -16.1764163005439 12006059 COC1=CC=C(C=C1)CNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC=CS3 1 0.734 3 6 0 -17.0790686593252 12006058 C1COC(N1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)CNC(=O)C(=O)NCC4=CC=C(C=C4)Cl 1 1.414 3 7 0 -18.1968380401892 12006057 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCC3=CNC4=CC=CC=C43)OC 1 2.048 4 6 0 -19.9586632450417 12006056 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC3=CN=CC=C3 1 0.299 4 5 0 -20.0794022406978 12006055 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)C(=O)NCCC3=CNC4=CC=CC=C43 1 1.784 4 5 0 -20.7031190258506 12006054 C1COC(N1S(=O)(=O)C2=CC=CS2)CNC(=O)C(=O)NCC3=CC=CC=C3 1 0.75 3 5 0 -17.5783115814854 12006053 COC1=CC=C(C=C1)CNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 0.733 3 8 0 -20.4318029399201 12006052 CC1=CC=C(C=C1)CNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC=CS3 1 1.237 3 5 0 -16.666102450181 12006051 C1COC(N1S(=O)(=O)C2=CC=CC=C2)CNC(=O)C(=O)NCC3=CN=CC=C3 1 -0.187 4 5 0 -21.0728061064587 12006050 CC1=C(C=C(C=C1)S(=O)(=O)C2C3CC(N(C2=O)C)(OC4=CC=CC=C34)C)C 1 3.224 1 4 -8.88578508065662 12006049 COC1=CC(=C(C=C1C2=NN=C3N2C4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5)OC)OC 1 4.459 4 4 0 -7.1888274275779 12006048 CC1=CC=C(C=C1)S(=O)(=O)C2C3CC(N(C2=O)C)(OC4=CC=CC=C34)C 1 2.738 1 4 -9.4031962904927 12006047 C1CN(CCN1C2=CC=CC=C2)C(CNS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CO4 1 3.615 3 3 -7.83889182981404 12006046 CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC4=C(CCCC4)C=C3.Cl Cl- 1 5.646 3 1 -5.6426190981354 12006044 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=C(C4=CC=CC=C4S3)Cl.Cl Cl- 1 5.448 3 2 -1.31248286325383 12006043 CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CS3)C 1 4.802 3 1 -8.66197729949831 12006042 CC1=CC=C(C=C1)C(=O)NCCC2=NN=C3N2N=C(C=C3)SCC(=O)NC4=CC=CC=C4C 1 3.775 6 2 0 -23.4268441887834 12006041 CC12CCC(CC1=CCC3C2CCC4(C3C/C(=C\C5=CC=CC=C5F)/C4=O)C)O 1 5.455 0 2 -10.647122316236 12006040 CC1=CC=C(C=C1)N2C(C(=CC2=O)C)C3=CC=C(C=C3)Cl 1 4.732 1 1 -1.45779330772669 12006039 CC12CCC(CC1=CCC3C2CCC4(C3C/C(=C\C5=CC(=CC=C5)F)/C4=O)C)O 1 5.455 0 2 -10.0458108626499 12006038 COC1=CC=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2N4CCC5(CC4)OCCO5)OC 1 3.313 2 6 0 -7.81706296783311 12006037 COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2C4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5 1 4.459 4 4 0 -6.02060214172755 12006036 COC1=C(C=C(C=C1)C2=NN=C3N2C4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5)OC 1 4.475 4 3 0 -5.95190134095077 12006035 COC1=CC(=C(C=C1)C2=NN=C3N2C4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5)OC 1 4.475 4 3 0 -3.78830645555454 12006034 CC1=CC=C(C=C1)C(=O)C2=C(C3=CC4=C(C=C3N=C2)OCCO4)S(=O)(=O)C5=CC=CC=C5 1 4.795 1 5 -7.82435612650108 12006033 CC1CCC2=C(N1C(=O)C(=O)C3=C(N(C4=CC=CC=C43)C)C)C=CC(=C2)F 1 4.465 2 2 -6.14204120731224 12006032 CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 1.435 3 6 0 -18.4606899178759 12006031 CC12CC(C(C(=O)N1)S(=O)(=O)C3=CC=C(C=C3)F)C4=C(O2)C=CC(=C4)OC 1 2.234 1 5 -10.3805885392411 12006029 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC4=C(CCCC4)C=C3.Cl Cl- 1 5.824 3 1 -4.06102871244715 12006028 CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=NC4=CC=CC=C4S3.Cl Cl- 1 4.343 4 1 -2.72278617289517 12006027 COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CC=CC=N4 1 2.075 5 3 0 -14.9707945461902 12006026 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC=CC=C4Cl 1 4.072 2 2 -17.0551576501619 12006025 CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC4=CC=CC=C4OC3=O.Cl Cl- 1 4.163 3 3 -7.3954004702182 12006024 CN(C)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=CC=C3Cl.Cl Cl- 1 4.913 3 1 -4.34767217059119 12006023 CC1=CC=CC=C1N2CC([N+]3=C2SCC3)(C4=CC=CC=C4)O.[Br-] Br- 1 4.066 2 1 -4.69087717395505 12006022 CCN(CC)C(=O)CN1C2=C(SC(=S)N2C3=CC=CC=C3C1=O)C4=CC(=CC=C4)C 1 5.137 3 2 -7.74450540455728 12006021 C1COC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)CNC(=O)C(=O)NCCCN3C=CN=C3 1 -0.151 5 5 0 -15.6142240584398 12006020 COC1=CC=CC=C1CNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 0.733 3 8 0 -22.546060770986 12006019 COC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCC3=CNC4=CC=CC=C43 1 1.562 4 6 0 -21.82796226046 12006018 CC1=CC=C(C=C1)S(=O)(=O)C2C3CC(NC2=O)(OC4=CC=CC=C34)C 1 2.532 1 4 -10.5713938157488 12006017 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4C5=CC=C(C=C5)C(F)(F)F 1 5.129 4 1 2.07129291097167 12006016 CC1=CC(=CC(=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC4=CC=CC=C4OC3=O)C 1 3.203 1 5 -8.75036091589999 12006015 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN4C(=NN=C4C5=CC(=CC=C5)F)C=C3 1 4.437 5 1 -9.51842271102415 12006014 CC1=CC(=C(C=C1)C)NC(=S)NCC(C2=CN=CC=C2)N3CCOCC3 1 3.772 4 1 -18.5301872483909 12006013 CC1=CC=C(C=C1)CNC(=O)C(=O)NCC(C2=CC=CO2)N3CCOCC3 1 1.524 3 4 0 -15.9554328351207 12006012 CCC1=C(C(=CC=C1)CC)NC(=S)NCCC2=C(NC3=C2C=C(C=C3)C)C 1 7.227 3 0 -4.79180951356876 12006011 COC1=CC=CC(=C1)C(=O)NCC(=O)NN=CC2=CC=CS2 1 1.68 3 3 0 -14.7479190732025 12006010 CCN(CC(CON=C1C2=CC=CC=C2C3=CC=CC=C31)O)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.297 2 4 -7.76025285380973 12006009 CCC1=CC=C(C=C1)OCCOCC(CNC(C)CC)O.Cl Cl- 1 2.967 1 3 -4.07822179299434 12006008 COC1=CC(=C(C=C1)OC)C=NNC(=O)CCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.393 4 3 0 -9.60108565282534 12006007 C1CN(CCN1CC(COCC2=CC=C(C=C2)Cl)O)C3=CC=CC=N3.Cl Cl- 1 2.944 3 2 0.165678569535997 12006005 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC4=CC=CC=C4OC3=O.Cl Cl- 1 3.882 3 3 -9.33087427716516 12006004 C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)C(=O)NCCC3=CNC4=CC=CC=C43)C5=CC=CO5 1 3.8 5 3 0 -14.8752608865051 12006003 COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C(=O)NCC3CCCO3)C4=CC=CO4 1 1.738 4 5 0 -17.6269389970905 12006002 CC1=CC=C(C=C1)CNC(=O)C(=O)NCC2N(CCO2)C(=O)C3=CC=C(C=C3)Cl 1 2.411 3 4 0 -11.72495845417 12006001 C1CCC(=CC1)CCNC(=O)C(=O)NCC(C2=CC=CO2)N3CCN(CC3)C4=CC=CC=C4 1 3.724 4 3 0 -15.8753040441035 12006000 COC(=O)NCC(C1=CC=CO1)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.891 3 3 -8.7484300401476 12005999 COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C(=O)NCCC3=CNC4=CC=CC=C43)C5=CC=CO5 1 3.578 5 4 0 -16.0001041211144 12005998 CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C 1 3.16 3 6 0 -11.858047278916 12005997 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)CCC3=CC=CC=C3.Cl Cl- 1 4.343 3 1 -6.72634784686541 12005996 C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)C(=O)NCC3=CN=CC=C3)C4=CC=CO4 1 1.829 5 3 0 -14.6102415230193 12005995 C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)OCC3=CC=CC=C3)C4=CC=CO4 1 4.474 3 3 -8.11704071068905 12005994 COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)OCC3=CC=CC=C3)C4=CC=CO4 1 4.252 3 4 0 -9.1708409966634 12005993 CC1=NC(=CC=C1)NC(=O)C2(CCOCC2)C3=CC=CS3 1 2.38 2 2 -10.4977558507654 12005992 CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 2.877 3 6 0 -16.5422308132161 12005990 CN(C)CCCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=NC4=CC=CC=C4S3.Cl Cl- 1 4.548 4 1 -1.73188629752103 12005989 C1CC(OC1)CNC(=O)C(=O)NCC(C2=CC=CO2)N3CCN(CC3)C4=CC=CC=C4 1 1.755 4 4 0 -17.5726702096133 12005988 C1CN(CCN1C2=CC=CC=C2F)C(CNC(=O)C(=O)NCC3=CN=CC=C3)C4=CC=CO4 1 2.035 5 3 0 -13.775726981363 12005987 COC1=CC(=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4)OC 1 4.042 2 5 0 -18.6055646902246 12005986 C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)OCC3=CC=CC=C3)C4=CC=CO4 1 4.269 3 3 -9.38325239334478 12005985 C1CN(CCN1C2=CC=CC=C2F)C(CNC(=O)C(=O)NCC3=CC=NC=C3)C4=CC=CO4 1 2.035 5 3 0 -11.6794478052049 12005984 C1COCCN1C(CNC(=O)C(=O)NCC2=CC=CC=C2)C3=CC=CO3 1 1.038 3 4 0 -16.8676419664251 12005983 C1CCC(=CC1)CCNC(=O)C(=O)NCC(C2=CC=CO2)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.929 4 3 0 -14.8047295969712 12005982 CC1=C(C(=CC=C1)NC(=S)NCCC2=C(NC3=C2C=C(C=C3)OC)C)C 1 5.812 3 1 -3.87954361525962 12005981 CC1=CC(=CC(=C1)NC(=S)NCCC2=C(NC3=C2C=C(C=C3)OC)C)C 1 5.812 3 1 -6.4188446296865 12005980 CCN(CC(CON=C1C2=CC=CC=C2C3=CC=CC=C31)O)S(=O)(=O)C4=CC=C(C=C4)C 1 4.118 2 4 -9.58225154439655 12005979 C1CC(OC1)CNC(=O)C(=O)NCC(C2=CC=CO2)N3CCN(CC3)C4=CC=C(C=C4)F 1 1.96 4 4 0 -16.5020957624811 12005978 COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C(=O)NCCC3=CCCCC3)C4=CC=CO4 1 3.707 4 4 0 -15.9295728315806 12005977 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=CC=C4 1 4.735 2 3 -4.45157055299076 12005976 CN(CC(CON=C1C2=CC=CC=C2C3=CC=CC=C31)O)S(=O)(=O)C4=CC=C(C=C4)Br 1 4.032 2 4 -5.41031455466273 12005975 CCC1=CC=CC(=C1NC(=S)NCCC2=C(NC3=C2C=C(C=C3)C)C)C 1 6.77 3 0 -6.19046257229008 12005974 CC(C(C1=CC=CS1)N2CCN(CC2)C)NC(=S)NCCC3=CC=CC=C3 1 4.494 4 0 -7.19602496702587 12005973 CC1=CC(=C(C=C1)C)NC(=S)NC(C)C(C2=CC=CS2)N3CCOCC3 1 5.147 3 1 -8.7653389045956 12005972 CC1=C(C(=CC=C1)NC(=S)NCC(C2=CN=CC=C2)N3CCOCC3)C 1 3.772 4 1 -15.8426805193146 12005971 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3 1 4.249 2 3 -6.84014724589867 12005970 COC1=C/C(=C/NN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46)/C=CC1=O 1 1.88 2 4 0 -4.86458209461388 12005969 C1=CC=C(C=C1)OCC(CN(CCO)CC(CN2C=CC3=CC=CC=C32)O)O 1 2.539 2 4 -3.25374273393545 12005968 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3 1 4.249 2 3 -4.57442297767682 12005967 CC1=CC(=CC=C1)NC(=S)NCC(C2=CN=CC=C2)N3CCOCC3 1 3.286 4 1 -15.9657340773606 12005966 CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.467 4 2 -5.21849454109785 12005965 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCCSC4=NN=NN4C5=CC=CC=C5 1 2.832 9 2 0 -20.5270967409898 12005964 C1COC(N1C(=O)C2=CC=CS2)CNC(=O)C(=O)NCC3=CC=CC=C3 1 1.214 3 4 0 -17.7086985457403 12005963 COC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)NCC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC 1 5.032 4 4 0 -11.3456887857872 12005962 CC1=C2C(=CC=C1)SC(=N2)NNC(=O)C3=CC4=C(C=C3)OCCO4 1 2.897 3 3 -3.75988568156823 12005961 CCN(CC)C(=O)NC1CC(=O)N(C1)C2=CC=C(C=C2)OC 1 1.194 3 3 0 -8.6693039512865 12005960 C1COCCC1(C2=CC=CS2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.968 2 2 -6.79385395164945 12005959 C1CCC(=CC1)CCNC(=O)C(=O)NCC(C2=CC=CO2)N3CCN(CC3)C4=CC=CC=C4F 1 3.929 4 3 0 -15.0407895024472 12005958 CC1CCCCN1CC(COC2=CC=C(C=C2)NC(=O)C)O.Cl Cl- 1 1.856 2 3 0 -9.79229268782279 12005957 CCC1=CC=C(C=C1)OCCOCC(CN(CCO)CCO)O.Cl Cl- 1 1.174 1 5 0 -0.53072192507734 12005956 CCC(C1=CC=CC=C1)OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O.Cl Cl- 1 3.709 3 4 0 -6.78950001510282 12005955 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)/C=C\C3=CC(=C(C(=C3)OC)OC)OC 1 3.685 2 4 -9.92299458722268 12005954 CC1=C(C2=C(C=C1)SC(=N2)NNC(=O)C3=CC4=C(C=C3)OCCO4)C 1 3.383 3 3 -5.22075737537862 12005953 CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=S)NCCC4=CC=CC=C4 1 6.078 4 0 -6.54829755726395 12005952 COC1=CC2=C(C=C1)N=C(S2)NNC(=O)C3COC4=CC=CC=C4O3 1 2.381 3 4 0 -0.408998075316531 12005951 CC1=CC(=CC=C1)NC(=S)NCCC2=C(NC3=C2C=C(C=C3)OC)C 1 5.325 3 1 -4.1424350775273 12005950 CC1=CC=CC=C1NC(=S)NCCC2=C(NC3=C2C=C(C=C3)OC)C 1 5.325 3 1 -7.45049566315796 12005949 CC1=C(SC=[NH+]1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-] Cl- 1 3.227 2 4 -4.81245250241227 12005948 CC1=CC2=C(N1)C=CC(=C2)CNC(=O)/C=C\C3=CC(=C(C=C3)OC)OC 1 3.495 2 3 -8.91270160834247 12005947 CC1=CC2=C(N1)C=CC(=C2)CNC(=O)/C=C\C3=CC(=C(C(=C3)OC)OC)OC 1 3.479 2 4 -8.07071274720746 12005946 C1CC(=NC1)NCC(=O)C2=CC=C(C=C2)Cl.Cl Cl- 1 1.809 2 1 0 -5.91685672605002 12005945 CC1=C(C2=C(C=C1)SC(=N2)NNC(=O)C3COC4=CC=CC=C4O3)C 1 3.37 3 3 -0.802613684309965 12005944 CC1=CC(=C(C=C1)C)NC(=S)NCCC2=C(NC3=C2C=C(C=C3)OC)C 1 5.812 3 1 -6.80428247508239 12005943 CCC1=C(C(=CC=C1)CC)NC(=S)NCCC2=C(NC3=CC=CC=C32)C 1 6.74 3 0 -6.26149888789905 12005942 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3CC4=CC=CC=C4C(=O)O3 1 4.157 1 5 -17.8742331144645 12005941 COC(=O)C1=CC=C(C=C1)OCC(CN(CCO)CC(CN2C=CC3=CC=CC=C32)O)O 1 2.394 2 6 0 -6.92990584621125 12005940 CC1=CC=CC=C1NC(=O)CSC2=NCCN2.Cl Cl- 1 1.776 3 1 0 -15.674445745441 12005939 C1CC(OC1)CNC(=O)C(=O)NCC(C2=CC=CO2)N3CCN(CC3)C4=CC=CC=C4F 1 1.96 4 4 0 -16.738155667957 12005938 C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)C(=O)NCC3=CN=CC=C3)C4=CC=CO4 1 2.035 5 3 0 -13.539667075887 12005937 C1CN(CCN1C2=CC=CC=C2F)C(CNC(=O)C(=O)NCCC3=CNC4=CC=CC=C43)C5=CC=CO5 1 3.8 5 3 0 -15.1823395624686 12005936 CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(O3)Br 1 2.281 2 5 0 -12.8317564683419 12005935 C1COCCN1C(CNC(=O)C(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CO3 1 1.702 3 4 0 -14.1334341445339 12005934 C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)C(=O)NCC3=CC=NC=C3)C4=CC=CO4 1 2.035 5 3 0 -11.4433878997289 12005933 COC1=CC=C(C=C1)OCC(CN(CCO)CC(CN2C=CC3=CC=CC=C32)O)O 1 2.523 2 5 0 -3.15533850529794 12005932 C1CSC2=[N+]1C(CN2C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-] Br- 1 3.579 2 1 -6.09349999308387 12005931 CC1=C(C=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4CC4)C 1 3.159 3 5 0 -19.0470401743703 12005930 CC1=CC=C(C=C1)C2(CN(C3=[N+]2CCS3)C4=CC=CC=C4C)O.[Br-] Br- 1 4.552 2 1 -3.60059066163028 12005929 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)/C=C\C3=CC(=C(C=C3)OC)OC 1 3.701 2 3 -10.7649834483577 12005928 CC1=CC=CC=C1NC(=S)NC(C)C(C2=CC=CS2)N3CCOCC3 1 4.661 3 1 -9.64878422341759 12005927 COC(=O)/C=C\C(=O)NC1=CC(=CC=C1)[N+](=O)[O-] 1 1.313 2 5 0 -7.39113721275158 12005926 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NCCN2.Cl Cl- 1 1.146 3 3 0 -16.1949297348208 12005925 CN(C)C1=CC=C(C=C1)C2N(CCS2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.516 3 3 -16.1940109481737 12005924 CC1=CC=C(C=C1)NC(=O)CSC2=NCCN2.Cl Cl- 1 1.776 3 1 0 -13.1097529694487 12005923 C1CCC2=NN=C(N2CC1)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/C#N 1 2.954 5 2 0 -15.1121134635306 12005922 CC(C)CCNC(=O)NC1CC(=O)N(C1)C2=CC=C(C=C2)OC 1 1.871 3 3 0 -16.6617417128793 12005921 CC1=CC=C(C=C1)CNC(=O)C(=O)NCC2N(CCO2)C(=O)C3=CC=CS3 1 1.7 3 4 0 -16.7964894144359 12005920 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CC=CC=N4 1 2.075 5 3 0 -15.566763029433 12005919 COC1=CC=CC=C1CNC(=O)C(=O)NCC2N(CCO2)C(=O)C3=CC=CS3 1 1.198 3 5 0 -19.4211076811708 12005918 CC1CC(CN(C1)CC(COCCOC2=CC=C(C=C2)Br)O)C.Cl Cl- 1 3.614 1 3 -5.89559906526953 12005917 CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)C4COC5=CC=CC=C5O4.Cl Cl- 1 4.188 2 5 0 -11.3975922017452 12005916 CCOC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)NC4=NC5=CC=CC=C5S4 1 4.453 6 2 0 -8.36134367220648 12005915 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C)NCC3=CC4=C(C=C3)OCO4 1 3.765 2 6 0 -13.2091781343017 12005914 CC1CCC2=C(C1)SC(=C2C(=O)N)NC3=NC4=C(C=CC=C4S3)F 1 3.997 3 1 -7.3799937747135 12005913 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN4C(=NN=C4C5=CC=C(C=C5)F)C=C3 1 4.437 5 1 -11.4853563781805 12005912 C1CCN(CC1)CC(COCCOC2=CC=C(C=C2)Br)O.Cl Cl- 1 2.976 1 3 -3.06062282432478 12005911 CCOC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)NC4=NC5=C(S4)C=C(C=C5)C 1 4.939 6 2 0 -7.6353840160825 12005910 CC(C)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5.Cl Cl- 1 4.442 4 2 -14.7653937009618 12005909 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)Cl 1 4.799 4 1 -2.21730648965886 12005907 CC1CCCC(N1CC(COC2=CC=C(C=C2)NC(=O)C)O)C.Cl Cl- 1 2.234 2 3 -11.7965838503458 12005906 COC1=CC=CC(=C1)CNC(=O)C(=O)NCC(C2=CC=CO2)N3CCOCC3 1 1.022 3 5 0 -16.4745544123951 12005905 C1CN(CCN1C2=CC=CC=C2F)C(CNC(=O)OCC3=CC=CC=C3)C4=CC=CO4 1 4.474 3 3 -8.42411938665265 12005904 C1COC(N1C(=O)C2=CC=CS2)CNC(=O)C(=O)NCC3=CC=C(C=C3)Cl 1 1.879 3 4 0 -14.9744907238491 12005903 CCS(=O)(=O)C1=NC(=C(S1)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.953 2 4 -13.4873892399618 12005902 COC1=C(C=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)NC4=NC5=CC=CC=C5S4)OC 1 4.088 6 3 0 -11.4916660815642 12005901 C1CSC(=NCC2=CC=CC=C2)N1CC(=O)C3=CC(=C(C=C3)Cl)Cl.Br Br- 1 5.028 2 1 -7.12441854001691 12005900 CC1=CC=C(C=C1)S(=O)(=O)N(CCCO)CC(CON=C2C3=CC=CC=C3C4=CC=CC=C42)O 1 3.293 2 5 0 -7.88218158432336 12005899 CC(C1=CC=CC=C1)NC(=O)C2(CCOCC2)C3=CC=CS3 1 3.094 1 2 -13.7389431016677 12005898 CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 2.877 3 6 0 -12.7054549172263 12005897 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3 1 4.249 2 3 -5.34594320612714 12005896 CC1=CC(=NC=C1)NC(=O)C2(CCOCC2)C3=CC=CS3 1 2.584 2 2 -9.9664679718327 12005895 C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)C(=O)NCCC3=CNC4=CC=CC=C43)C5=CC=CO5 1 3.594 5 3 0 -16.0168541041249 12005894 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC4=C(CCCC4)C=C3.Cl Cl- 1 5.365 3 1 -7.34086077433594 12005893 CC1=CC=C(C=C1)C2=[N+](SC(=N2)N)C3=CC=CC=C3.[Br-] Br- 1 4.311 3 0 5.86002120440429 12005892 CC(C)(C)C1=CC=C(C=C1)OCC(CN(CCO)CC(CN2C=CC3=CC=CC=C32)O)O 1 3.939 2 4 -1.89615758429349e-002 12005891 COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=CC=C4 1 2.683 4 4 0 -16.2549194772392 12005890 CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=C(C=C4)OC 1 3.169 4 4 0 -15.1836770022524 12005889 CCC1=CC=CC(=C1NC(=S)NCC(C2=CN=CC=C2)N3CCOCC3)C 1 4.228 4 1 -19.0377734999904 12005888 C1COCCN1C(CNC(=S)NC2=CC=CC(=C2)C(F)(F)F)C3=CN=CC=C3 1 3.742 4 1 -13.487567041065 12005887 CC(C)CNC(=O)NC1CC(=O)N(C1)C2=CC=C(C=C2)OC 1 1.482 3 3 0 -12.3984801703241 12005886 C1COC(N1C(=O)C2=CC=CS2)CNC(=O)C(=O)NCC3=CC=C(C=C3)F 1 1.42 3 4 0 -16.0846123889707 12005885 C1CN(CCN1CC(COCC2COC3=CC=CC=C3O2)O)C4=CC=C(C=C4)F.Cl Cl- 1 2.976 2 4 0.127742372522495 12005884 CC(C)C1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 3.425 1 5 -7.40759492938323 12005883 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4 1 4.134 4 1 -4.80685305860913 12005882 C1CC2=C(C(N3C(=O)C(=CC4=CC5=C(C=C4)C=CN=C5)SC3=N2)C6=CC=C(C=C6)Cl)C(=O)C1 1 4.763 3 2 -16.7878718013835 12005881 CCOC(=O)C1=C(N=C2N(C1/C=C/C3=CC=CC=C3)C(=O)C(=CC4=CC(=C(C(=C4)OC)OC)OC)S2)C 1 4.871 2 6 0 -23.3031485981216 12005880 CC(C)NCC(COCCOC1=CC=C(C=C1)C(C)(C)C)O.Cl Cl- 1 2.901 1 3 0.257996007462625 12005879 CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CC=CO3 1 0.9 3 6 0 -15.3619144693002 12005878 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCCC3=CCCCC3 1 2.743 3 5 0 -20.1302979678739 12005877 C1CN(C(OC1)CNC(=O)C(=O)NCCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)F 1 1.846 4 5 0 -21.5082053671029 12005876 CC1=CSC(=N1)NC(=O)CSC2=NN3C(=NN=C3CCNS(=O)(=O)C4=CC=C(C=C4)OC)C=C2 1 1.769 7 4 0 -20.2860626502759 12005875 C1CN(C(OC1)CNC(=O)C(=O)NCCCN2C=CN=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 -8.9e-002 5 5 0 -16.4193103996921 12005874 CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCCC3=CNC4=CC=CC=C43 1 2.333 4 5 0 -17.0669110057851 12005873 C1C(N(N=C1C2=CC=CS2)C(=O)CSC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)F 1 5.035 3 2 -6.01893865657067 12005872 C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)C(=O)NCCCN3C=CN=C3)C4=CN=CC=C4 1 0.967 7 2 0 -14.2335463139625 12005871 C1COCCN1C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CO3 1 2.132 2 4 -10.694245103728 12005870 C1CN(CCN1C2=CC=CC=C2F)C(CNS(=O)(=O)C3=CC=CC=C3)C4=CC=CO4 1 3.615 3 3 -8.78067694987155 12005869 C1CN(C(OC1)CNC(=O)C(=O)NCCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4 1 1.641 4 5 0 -23.2845050288167 12005868 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCCCN3C=CN=C3)C 1 0.705 5 5 0 -14.4137570671431 12005867 COC1=CC=C(C=C1)C2=CN(C3=[N+]2CCS3)C4=CC=C(C=C4)Br.[Br-] Br- 1 5.377 2 1 1.90491882193019 12005865 C1CN(CCN1C2=CC=CC=C2F)C(CNS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CO4 1 3.82 3 3 -7.52785534454572 12005864 C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)C(=O)NCCC3=CNC4=CC=CC=C43)C5=CN=CC=C5 1 3.155 6 2 0 -19.5704604546185 12005863 C1C2=C(N(N=C2CS1)C3=CC=C(C=C3)Cl)NC(=O)/C=C\C4=CC5=C(C=C4)OCO5 1 4.383 3 3 -2.40738694250374 12005862 CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=CC3=CC=CC=C32)CC4=CC5=C(C=C4)OCO5 1 4.41 2 4 -5.18766861187604 12005861 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CC=NC=C3)C 1 1.334 4 5 0 -14.982617692163 12005860 CC1=CC=CC=C1NC(=O)CC(C(=O)O)NCC2CCCO2 1 -1.575 2 4 0 -17.3658628383597 12005859 CCS(=O)(=O)NCC(C1=CC=CO1)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.387 3 3 -8.35769579941232 12005858 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CS3)C(=O)N 1 0.963 3 5 0 -23.9148563661455 12005857 CC(C)(C)NC(=O)NC1CC(=O)N(C1)C2=CC=C(C=C2)OC 1 1.222 3 3 0 -14.2446505312627 12005856 COC1=CC(=CC(=C1OC)OC)C(=O)OCCNC(=O)C2=CC=NC=C2.Cl Cl- 1 1.342 2 6 0 -14.5463929522392 12005855 C1COC(N1C(=O)C2=CC=C(C=C2)Cl)CNC(=O)C(=O)NCC3=CC=C(C=C3)F 1 2.131 3 4 0 -11.0130814287047 12005854 CC1=CC(=C(C=C1)NC(=O)/C=C\C(=O)O)[N+](=O)[O-] 1 1.574 2 5 0 -5.66288674431505 12005853 C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC(=CC=C4)F 1 4.092 3 2 -7.08245791530922 12005852 COCCNC(=O)C(=O)NCC1N(CCCO1)S(=O)(=O)C2=CC=CS2 1 -0.902 3 6 0 -21.6767476397811 12005851 C1CN(C(OC1)CNC(=O)C(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)F 1 0.972 3 5 0 -20.4979739982527 12005850 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CC=CO3 1 1.18 3 6 0 -18.3443383065333 12005849 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCC3=CC(=C(C=C3)OC)OC)OC 1 1.722 3 8 0 -20.2850332577672 12005848 C1CN(C(OC1)CNC(=O)C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 -0.124 4 5 0 -21.877892447711 12005847 CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C 1 2.179 3 6 0 -25.886858047731 12005846 COC1=CC=CC=C1CCNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.017 3 6 0 -22.3648699583232 12005845 CC1=CC=C(C=C1)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CC=NC=C3 1 0.362 4 5 0 -18.8856036323168 12005844 C1CN(C(OC1)CNC(=O)C(=O)NCCCN2C=CN=C2)S(=O)(=O)C3=CC=CC=C3 1 -0.753 5 5 0 -19.1373187295151 12005843 CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCCC3=CCCCC3 1 2.462 3 5 0 -17.1478741306408 12005842 CS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CC=C3O)C(=O)C4=CC=CC=C4Cl 1 3.749 3 4 0 -5.72988594028573 12005841 COC1=CC=C(C=C1)CCNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.017 3 6 0 -18.0020339482318 12005840 CC1=CC=C(C=C1)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCCC3=CNC4=CC=CC=C43 1 2.127 4 5 0 -22.2200823925682 12005839 COC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 1.236 3 8 0 -22.6096809823209 12005838 CC1=CC=C(C=C1)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CC=CO3 1 0.694 3 6 0 -20.5150858560834 12005837 C1CC(OC1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)N=CC=C4 1 2.34 3 2 -7.49640820352485 12005836 C1CN(C(OC1)CNC(=O)C(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3 1 -0.124 4 5 0 -19.781613271553 12005835 CC1=CC=C(C=C1)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CN=CC=C3 1 0.362 4 5 0 -20.8844885819501 12005834 CC1=CSC(=N1)NC(=O)CSC2=NN3C(=NN=C3CCNS(=O)(=O)C4=CC=CC=C4)C=C2 1 1.786 7 3 0 -20.7691060803679 12005833 C1COCCN1CCNC(=O)C(=O)NCC2N(CCO2)C(=O)C3=CC=C(C=C3)Cl 1 0.168 4 5 0 -14.6760992408595 12005832 C1=CC=C2C(=C1)C=C[C@H]3N2[C@@H]([C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=C(C=C5)F)C(=O)C6=CC=CO6 1 3.683 2 4 0.799577205684826 12005831 CNC(=O)C(=O)NCC1N(CCCO1)S(=O)(=O)C2=CC=CS2 1 -0.771 3 5 0 -19.0187516948574 12005830 C1CN(CCN1C2=CC=C(C=C2)F)C(CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CO5 1 3.401 3 5 0 -11.5297774596788 12005829 CCC1=CC=C(C=C1)OCCOCC(CNC(C)(C)C)O.Cl Cl- 1 2.648 1 3 -5.33543901792615 12005828 COC1=CC=C(C=C1)OCC(=O)OCCNC(=O)C2=CN=CC=C2.Cl Cl- 1 1.21 2 5 0 -14.2582816397108 12005827 CC(C)NCC(COC1=CC2=C(CCC2)C=C1)O.Cl Cl- 1 2.688 1 2 -3.76220312124849 12005826 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC(=CC(=N3)C)C 1 2.415 3 6 0 -21.9153335261759 12005825 CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 1.896 3 6 0 -26.874103590263 12005824 CC1=NN=C(N(C1=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)SC 1 1.361 4 5 0 -12.9573531285083 12005823 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCCC3=CNC4=CC=CC=C43)C 1 3.1 4 5 0 -18.3170964524143 12005822 COC1=C(C=C(C=C1)CCNC(=O)C(=O)NCC2N(CCO2)S(=O)(=O)C3=CC=C(C=C3)Br)OC 1 2.001 3 7 0 -22.0001486766008 12005821 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=NN=C3N2N=C(C=C3)SCC(=O)NC4=NC(=CS4)C 1 2.272 7 3 0 -20.0613930354655 12005820 C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CS3)C4=CC=C(C=C4)O 1 4.127 2 2 -7.66368776469745 12005819 CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(O3)Br)C 1 2.564 2 5 0 -11.8445109258099 12005818 CC1=CC=CC=C1C2=NN=C(S2)NC(=O)CSC3=NC4=CC=CC=C4S3 1 4.518 4 1 -11.1243453054845 12005817 CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CO2)N3CCOCC3 1 1.954 2 4 0 -12.5162437943148 12005816 COC(CNC(=O)C(=O)NCC1N(CCO1)C(=O)C2=CC=C(C=C2)Cl)OC 1 0.28 3 6 0 -15.9279824612909 12005815 C1=CN=C(N=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(O3)Br 1 1.999 2 5 0 -9.31972664854061 12005814 CC1=CC2=C(/C(=C\3/CC(N(N3)C(=O)C)C4=CC=CO4)/C(=O)N=C2C=C1)C5=CC=CC=C5 1 2.726 3 3 -9.24763481445182 12005813 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC(=N4)C 1 1.687 5 6 0 -26.5495883817482 12005812 CCN(CC)CCNC(=O)C(=O)NCC1N(CCO1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.111 5 7 0 -20.9963383440549 12005811 C1CN(C(OC1)CNC(=O)C(=O)NCCO)S(=O)(=O)C2=CC=CS2 1 -1.31 3 6 0 -18.6399228839371 12005810 COC1=CC=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC=CC=C2 1 2.464 3 3 -5.6260285287471 12005809 CCCN(CCC)C(=O)NC1CC(=O)N(C1)C2=CC=C(C=C2)OC 1 2.242 3 3 -9.15016784796541 12005808 C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)C(=O)NCCCN3C=CN=C3)C4=CN=CC=C4 1 0.761 7 2 0 -15.3041207610948 12005807 CCS(=O)(=O)NCC(C1=CC=CO1)N2CCN(CC2)C3=CC=CC=C3F 1 2.387 3 3 -8.59375570488829 12005806 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCN2C(=O)C(=NN=C2SC)C 1 2.058 4 5 0 -17.3992422793402 12005805 CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC=CC=N3)C4=CC=C(C=C4)OC 1 4.021 4 2 -9.37427224876378 12005804 CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)/C=C\C4=CC5=C(C=C4)OCO5)C 1 4.691 3 3 -6.69391848819708 12005803 C1CN(CCN1C2=CC=C(C=C2)F)C(CNS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CO4 1 3.82 3 3 -8.30651335036457 12005802 COCCNC(=O)C(=O)NCC1N(CCO1)C(=O)C2=CC=C(C=C2)Cl 1 0.211 3 5 0 -15.9305173025178 12005801 COC1=CC=C(C=C1)CNC(=O)C(=O)NCC(C2=CC=CO2)N3CCOCC3 1 1.022 3 5 0 -16.3683990442648 12005799 CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=C(C4=CC=CC=C4S3)Cl.Cl Cl- 1 5.67 3 1 -0.436492769242058 12005798 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCCCN3C=CN=C3 1 0.219 5 5 0 -16.0705615407289 12005797 CC1=CC=C(C=C1)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCCCN3C=CN=C3 1 -0.267 5 5 0 -18.2413090902789 12005796 CN(C)CCNC(=O)C(=O)NCC1N(CCCO1)S(=O)(=O)C2=CC=CS2 1 -0.632 4 5 0 -16.3274242940476 12005795 CN(C)CCNC(=O)C(=O)NCC1N(CCO1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 -0.587 5 7 0 -18.5071461302599 12005793 CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C.Cl Cl- 1 3.25 4 3 0 -8.46658197388864 12005792 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4 1 3.928 4 3 0 -8.7084140658041 12005791 CCS(=O)(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC4=NC=CN=C4C=C3 1 2.355 4 2 -6.01425579801556 12005790 C1=CC(=CC(=C1)Br)C2=NN(C=C2/C=C\C(=O)C3=CC=C(C=C3)Cl)CCC(=O)O 1 5.441 2 3 2.90523326436466 12005789 CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C 1 3.16 3 6 0 -15.6948231749058 12005788 COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)NS(=O)(=O)C 1 3.294 3 5 0 -12.1192921039452 12005787 C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)Cl)CC4=CC(=CC=C4)Cl.[Br-] Br- 1 5.735 2 0 8.18633643429254 12005786 CCCCCCCC[N+](C)(C)CC#C.[Br-] Br- 1 3.311 1 0 -5.25789726514455 12005785 CC1(C2CCC1(C(=O)N(C2=O)CC(CN3CCCCCC3)O)C)C.Cl Cl- 1 2.299 2 3 -7.69333731597011 12005784 CC1=CC(=C2C(=C1)[C@@]3(C(C(C4N3CSC4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C6=CC=CC=C6)C(=O)N2)C 1 5.025 3 4 0 -3.49309561962317 12005783 C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)Cl)CCCN4C(=O)C5=CC=CC=C5C4=O.[Br-] Br- 1 4.23 3 2 4.27350197153234 12005782 C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)Cl)CC4=CC(=C(C=C4)Cl)Cl.[Cl-] Cl- 1 6.399 2 0 8.3363844960956 12005781 C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)F)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64.[Cl-] Cl- 1 5.735 3 1 5.56866634395901 12005780 CC1=C(C2=C(C=C1)[C@@]3([C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=C(C(=C(S6)C)C)C(=O)OC)C(=O)N2)C 1 2.993 3 5 0 -3.72181067952211 12005779 C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)F)CC(=O)NC4=NC(=CS4)C5=CC=CC=C5.[Cl-] Cl- 1 4.608 4 1 3.46413217754413 12005778 CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(=O)NNC3=[NH+]C4=CC=CC=C4C=C3)O.[Cl-] Cl- 1 4.624 3 2 -6.22029842394223 12005777 CC1=CC(=CC=C1)C(C2=CC=CC(=C2)C)(C(=O)NNC3=[NH+]C4=CC=CC=C4C=C3)O.[Cl-] Cl- 1 4.624 3 2 -4.28926848461692 12005776 CCC(C)[C@@H](C(=O)OC)NC(=O)NCCCN1C=CN=C1 1 0.664 4 3 0 -20.3580137522734 12005775 CC1=CC(=CC=C1)N2C(=CC(=C2C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)CC(C)C)C 1 5.459 5 1 -10.99164821238 12005774 CC(C)(C#CCN1CCCCC1)OCCOC(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 5.344 1 2 -5.29512313669856 12005773 CCCC1=C2C=CC=[N+]2CCN1CC(=O)C3=CC=C(C=C3)C.[Br-] Br- 1 3.307 2 1 -4.41192747397874 12005772 CCCC1=C2C=CC=[N+]2CCN1CC(=O)C3=CC=CC=C3.[Br-] Br- 1 2.821 2 1 -5.20757504148809 12005771 C1=CC=C2C(=C1)C=CC(=N2)C(=O)C3=NN[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=CC(=C5)C(F)(F)F 1 3.278 4 3 0 -1.94430010042562 12005770 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3=NN[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=CC=C5C(F)(F)F 1 4.183 3 3 -8.98655386575742 12005769 C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC(=[NH2+])N.[Br-] Br- 1 2.618 4 1 -7.35218892952471 12005768 C[N+](C)(C)CCCCCCC(=O)C=NO.[I-] I- 1 0.35 2 2 0 -5.85767895480264 12005767 COC1=CC=C(C=C1)C=NNC(=O)C(=O)/C=C\2/C3=CC=CC=C3CC4(N2)CCCC4 1 3.579 3 3 -6.28648158059244 12005766 COC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CCCN4C(=O)C5=CC=CC=C5C4=O.[Br-] Br- 1 3.549 3 3 2.03853707180139 12005765 C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)F)CCCN4C(=O)C5=CC=CC=C5C4=O.[Br-] Br- 1 3.771 3 2 3.16338030641078 12005764 C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)F)CC(=O)NC4=NC(=CS4)C5=CC=C(C=C5)F.[Cl-] Cl- 1 4.814 4 1 2.27372607678342 12005763 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)OCC4=CC=CC=C4.[Br-] Br- 1 4.599 2 2 0.989541144959669 12005762 CN1C(=CC(=O)N(C1=O)C)NC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=C(C=C4)F.[Cl-] Cl- 1 1.916 5 3 0 -7.5095778536885 12005761 CN1C(=CC(=O)N(C1=O)C)NC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=C(C=C4)Cl.[Cl-] Cl- 1 2.375 5 3 0 -6.39945618856693 12005760 C1=CC=C2C(=C1)C=CC=C2N3C(=O)[C@@H]4[C@H](C3=O)C5C6=CC=CC=C6C=NN5[C@@H]4C(=O)C7=CC=C(C=C7)Cl 1 4.76 3 3 5.21142062672137 12005759 CC1=CC2=C(C=C1)NC(=O)[C@]23C(C(C4N3CSC4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C6=CC=CC=C6 1 4.538 3 4 0 -4.95906678021888 12005758 C\1C(N(N/C1=C/2\C(=C3C=C(C=CC3=NC2=O)Cl)C4=CC=CC=C4)C(=O)CCCC(=O)O)C5=CC=CS5 1 3.509 3 4 0 -14.7121148722465 12005757 C\1C(N(N/C1=C/2\C(=C3C=C(C=CC3=NC2=O)Cl)C4=CC=CC=C4)C(=O)CCC(=O)O)C5=CC=CS5 1 3.052 3 4 0 -12.7351095331471 12005756 CC1=C(C=[N+](C=C1)C\2=C(C3=CC=CC=C3C(=O)/C2=N\S(=O)(=O)C4=CC=CS4)[O-])C 1 3.563 2 4 -7.10472305057955 12005755 CCOC1=CC=C(C=C1)N/C=C\2/C(=NN(C2=O)C3=NC4=CC=CC=C4N3)C 1 2.765 5 2 0 -4.85495762104555 12005754 COC1=CC=C(C=C1)N/C=C/2\C=C3C(C(=C(OC3=CC2=O)N)C#N)C4=CC=CC=C4 1 2.779 3 3 -8.67365494471694 12005753 CC1=CC=C(C=C1)N/C=C/2\C=C3C(C(=C(OC3=CC2=O)N)C#N)C4=CC=CC=C4 1 3.282 3 2 -8.26068873557281 12005752 CC1=CC=CC=C1N/C=C/2\C=C3C(C(=C(OC3=CC2=O)N)C#N)C4=CC=CC=C4 1 3.282 3 2 -9.23531866085943 12005751 C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)F)CC(=O)OCC4=CC=CC=C4.[Br-] Br- 1 4.319 2 2 1.70141817042492 12005750 COC1=C/C(=C/NNC(=O)CCN2C3=CC=CC=C3N=N2)/C=CC1=O 1 0.605 5 3 0 -13.3402171514521 12005749 CC1=NNC(=O)C1CCC(=O)NN=C/C=C/C2=CC=CC=C2OC 1 1.005 4 3 0 -16.2536238437451 12005748 CC(C)C1=CC(=NN1)C(=O)NN=C/C=C/C2=CC=CC=C2 1 3.191 4 1 0.693799310214433 12005747 CN1C(=CC(=O)N(C1=O)C)NC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC(=C(C=C4)Cl)Cl.[Cl-] Cl- 1 3.039 5 3 0 -7.37786327081591 12005746 CCN1C2=CC=CC=C2N=C1SCC(=O)NN=C/C=C/C3=CC=CO3 1 3.444 4 2 -8.02122403031723 12005745 C1=CC=C2C3[C@@H]4[C@H]([C@H](N3N=CC2=C1)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)Cl 1 4.515 3 3 2.737399920451 12005744 C1=CC=C2C(=C1)C=CC=C2C3=NNC(=C3)C(=O)NN/C=C/4\C=NC5=CC=CC=C54 1 3.274 5 1 2.76411666220986 12005743 COC1=CC=CC=C1C\2=C(NN/C2=C/3\C=CC(=CC3=O)OCC(=O)NN)C(F)(F)F 1 0.284 4 4 0 -7.43325436797211 12005742 CC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)Cl 1 3.683 4 3 0 -7.70809666934707 12005741 C1CC2=[N+](C=C(N2C1)C3=CC(=C(C=C3)Cl)Cl)CC(=O)OCC4=CC=CC=C4.[Br-] Br- 1 5.442 2 2 1.83313275329751 12005740 CN1C(=CC(=O)N(C1=O)C)NC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=CC=C4.[Cl-] Cl- 1 1.71 5 3 0 -8.69597129546895 12005739 CCC1=[N+](CCN2C1=CC=C2C)CC(=O)C3=CC=C(C=C3)C.[Br-] Br- 1 3.896 2 1 -4.98056777997012 12005738 C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C=NN4[C@@H]3C(=O)C6=CC=C(C=C6)Cl 1 3.851 3 3 3.13400267051391 12005737 CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C=NN4[C@@H]3C(=O)C6=CC=C(C=C6)Cl 1 4.337 3 3 3.56371886266855 12005736 CCOC1=C/C(=C/NNC2=NC(=CS2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)/C=CC1=O 1 1.693 4 4 0 -7.72117887977863 12005735 C[N+](C)(C)CCCCCC(=O)C=NO.[I-] I- 1 -0.106 2 2 0 -5.85767895480264 12005734 CC1=NNC(=O)C1CCC(=O)NN=C/C=C/C2=CC=CC=C2 1 1.021 4 2 0 -14.731970181932 12005733 CC1=CC=C(C=C1)C2=NNC(=S)N2N=C/C=C/C3=CC=CC=C3OC 1 4.577 4 1 1.62540984097004 12005731 CCC(C)[C@H](C(=O)NN=CC1=CC2=C(C=C1)N=CC=C2)N.Cl Cl- 1 2.027 4 1 -8.53493260991509 12005730 C1CC2=[N+](C=C(N2C1)C3=CC=CC=C3)CC4=CC(=CC=C4)Cl.[Br-] Br- 1 5.07 2 0 7.19650042480732 12005729 C1=CC=C2C(=C1)N=CN2CCC(=O)NN/C=C/3\C=CC=CC3=O 1 0.828 4 2 0 -10.8366313373683 12005728 CC1CC(=CC([C@@H]1C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=O)C)C 1 3.844 4 3 0 -6.03349434220989 12005727 COC1=C(C(=C(C=C1)C=NNC(=O)C[N+]2=CC=CC=C2)OC)OC.[Cl-] Cl- 1 2.09 3 4 0 -7.74286006998596 12005726 C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN=C/C=C/C3=CC=CO3 1 3.973 4 2 -13.2192632429829 12005725 C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN=C/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 4.472 5 3 0 -13.4289787563635 12005724 C=CCN1C(=O)/C(=C/NN2CCCCC2C3=CN=CC=C3)/C(=O)NC1=S 1 1.094 5 2 0 -6.77247393151875 12005723 COC1=CC(=C(C=C1C=NNC(=O)C[N+]2=CC=CC=C2)OC)OC.[Cl-] Cl- 1 2.09 3 4 0 -10.8012894483563 12005722 CCCCCCCCCCCC[N+](C)(C)CC#C.[Br-] Br- 1 5.135 1 0 -5.25789726514455 12005721 CC1=CC=C(C=C1)C2=C(SC(=N2)/C(=C\C3=CC(=CC=C3)Cl)/C#N)NC(=O)C 1 4.859 3 1 -5.51637888070107 12005720 COC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3(C4N2N=CC5=CC=CC=C45)C(=O)C6=CC=CC=C6C3=O)C7=CC=CO7 1 4.384 2 5 0 -3.27185862589274 12005719 C/C(=C\1/C(=O)NC(=S)N(C1=O)C2CCCCC2)/NN3CCCCC3C4=CN=CC=C4 1 2.849 5 2 0 -6.0501419627107 12005717 CCCCCCCCCC[N+](C)(C)CC#C.[Br-] Br- 1 4.223 1 0 -5.25789726514455 12005716 CCC1=CC=[N+](C=C1)C\2=C(C3=CC=CC=C3C(=O)/C2=N\S(=O)(=O)C4=CC=CS4)[O-] 1 3.533 2 4 -7.08941476786266 12005714 CC(C)(C)OC(=O)[C@H]1[C@@H](C2(C3N1N=CC4=CC=CC=C34)C(=O)C5=CC=CC=C5C2=O)C6=CC(=C(C=C6)OC)OC 1 4.498 2 6 0 -8.59598096319255 12005713 CCC(C)N1C(=O)/C(=C/NNC(=O)C2=CC=NC=C2)/C(=O)NC1=S 1 0.317 5 3 0 -6.11293314014536 12005712 CC(=O)OC1=CC=C(C=C1)C(=O)[C@H]2[C@@H]3[C@H]([C@H]4N2N=CC=C4)C(=O)N(C3=O)C5=CC=CC6=CC=CC=C65 1 2.705 3 5 0 0.15576048610868 12005711 CC(=O)OC1=CC=C(C=C1)C(=O)[C@H]2[C@@H]3[C@H]([C@H]4N2N=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5 1 1.796 3 5 0 -1.92165747009877 12005710 CC1(OC(=O)C2([C@@H]([C@H](N3[C@@H]2C4=CC=CC=C4C=N3)C(=O)C(C)(C)C)C5=CC(=C(C=C5)OC)OC)C(=O)O1)C 1 3.638 2 7 0 -9.46350249374701 12005709 CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=C/C=C/C4=CC=CC=C4[N+](=O)[O-] 1 5.259 5 4 0 -18.8553411832817 12005708 CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4C=CC=NN4[C@H]([C@H]3C2=O)C(=O)C5=CC=C(C=C5)OC(=O)C 1 2.282 3 5 0 -1.66035427495654 12005707 CC(=O)OC1=CC=C(C=C1)C(=O)[C@H]2[C@@H]3[C@H]([C@H]4N2N=CC=C4)C(=O)N(C3=O)C5=CC=C(C=C5)OC 1 1.78 3 6 0 -2.21859705530024 12005706 COC1=C/C(=C/NNC(=O)CNC(=O)C2COC3=CC=CC=C3O2)/C=CC1=O 1 -0.473 3 6 0 -6.22848089650275 12005704 CCN1C(=O)/C(=C(\C)/NN2CCCCC2C3=CN=CC=C3)/C(=O)NC1=S 1 1.339 5 2 0 -2.81857577765558 12005703 COC1=C/C(=C/NNC(=O)C2=CC=C(C=C2)N3C=CC=C3)/C=CC1=O 1 1.57 3 3 0 -2.60049164748049 12005702 CCC(C)N1C(=O)/C(=C/NC2=CC=CC(=C2)C(F)(F)F)/C(=O)NC1=S 1 3.502 3 2 -0.376310286558398 12005701 CC1=CC=CC2=C1NC(=O)[C@]23[C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=C(C(=C(S6)C)C)C(=O)OC 1 2.507 3 5 0 -5.21426326374424 12005700 CC(C)(C)OC(=O)[C@H]1[C@@H](C2(C3N1N=CC4=CC=CC=C34)C(=O)C5=CC=CC=C5C2=O)C6=C(C=C(C=C6)OC)OC 1 4.498 2 6 0 -6.06082218890322 12005699 CC(C)(C)OC(=O)[C@H]1[C@@H](C2(C3N1N=CC4=CC=CC=C34)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)[N+](=O)[O-] 1 4.425 3 6 0 -6.31459211459109 12005698 CC1(OC(=O)C2([C@H]([C@@H](N3C2C4=CC=CC=C4C=N3)C(=O)C(C)(C)C)C5=CC=C(C=C5)OC)C(=O)O1)C 1 3.655 2 6 0 -5.4296391182974 12005697 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC4=CC(=C(C=C4)Cl)Cl.[Cl-] Cl- 1 6.221 2 0 7.33051480702726 12005696 COC1=CC=C(C=C1)[C@@H]2[C@H](C3C4=CC=CC=C4C=NN3[C@H]2C(=O)C5=CC=C(C=C5)OC)[N+](=O)[O-] 1 4.205 3 5 0 -0.742990266715995 12005695 C1CC2=[N+](C=C(N2C1)C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC=C5C4=O.[Br-] Br- 1 3.566 3 2 1.80857386761792 12005694 CC(C)COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)OC)/C(=O)OCC3=CC=CO3 1 4.566 1 6 0 -16.4245819584181 12005693 COC1=CC=C(C=C1)C\2=C(NN/C2=C/3\C=CC(=CC3=O)OCC(=O)NN)C(F)(F)F 1 0.284 4 4 0 -5.60335548736446 12005692 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)NC4=NC(=CS4)C5=CC=C(C=C5)F.[Cl-] Cl- 1 5.095 4 1 3.10004501900097 12005691 CC\1=NN(C(=O)/C1=C/NNC(=O)COC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3 1 1.013 5 5 0 -10.3359423305235 12005690 COC1=CC=C(C=C1)[C@H]2[C@@H](C3C4=CC=CC=C4C=NN3[C@@H]2C(=O)C5=CC=CC=C5)[N+](=O)[O-] 1 4.221 3 4 0 -0.880731889020193 12005689 C1=CC=C(C=C1)C(C(=O)NN=C/C=C/C2=CC=C(C=C2)Br)O 1 3.174 2 2 -2.77361418171903 12005688 C1CC2=[N+](C=C(N2C1)C3=CC=CC=C3)CC(=O)NC4=NC(=CS4)C5=CC=C(C=C5)F.[Cl-] Cl- 1 4.608 4 1 3.46413217754413 12005687 C1CC2=[N+](C=C(N2C1)C3=CC=CC=C3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64.[Cl-] Cl- 1 5.53 3 1 4.21385990516616 12005686 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CCCN4C(=O)C5=CC=CC=C5C4=O.[Br-] Br- 1 4.052 3 2 2.45150328094553 12005685 C1CC2=[N+](C=C(N2C1)C3=CC=CC=C3)CC4=CC(=C(C=C4)Cl)Cl.[Cl-] Cl- 1 5.735 2 0 6.85599839071206 12005684 CCO.CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=C(S2)C(=O)C4=CC=C(C=C4)OC)N)C CCO 1 4.32 2 6 0 -22.6939371207338 12005683 C1=CC=C(C=C1)C(=O)[C@@H]2[C@H](N3C=CC4=CC=CC=C4[C@@H]3[C@@]25C6=CC=CC=C6NC5=O)C(=O)C7=CC=C(C=C7)F 1 4.866 2 3 -4.31586435181123 12005682 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=CS3)C4=CC5=CC=CC=C5OC4=O.Br Br- 1 5.077 2 4 -1.39964367789471 12005681 C1CC2=[N+](C=C(N2C1)C3=CC=CC=C3)CC(=O)NC4=NC(=CS4)C5=CC=CC=C5.[Cl-] Cl- 1 4.403 4 1 1.08733263500296 12005680 C1CC2=[N+](C=C(N2C1)C3=CC(=C(C=C3)Cl)Cl)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64.[Cl-] Cl- 1 6.859 3 1 5.7003809268316 12005679 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64.[Cl-] Cl- 1 6.016 3 1 4.85678931849376 12005678 C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)Cl)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64.[Cl-] Cl- 1 6.194 3 1 6.67878800908058 12005677 CCO.CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=C(S2)C(=O)C4=CC=C(C=C4)C)N)C CCO 1 4.822 2 5 0 -22.6380403548329 12005676 CCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)Cl.Cl Cl- 1 3.268 4 3 0 -13.9671920775678 12005675 CC(=NNC(=O)C(C1=CC=CC=C1)O)/C=C/C2=CC=CO2 1 1.899 2 3 0 -8.23147368699759 12005674 CC(=NNC(=O)C(C1=CC=CC=C1)O)/C=C/C2=CC=CC=C2 1 2.504 2 2 -7.93446002414327 12005673 C1C(OC2=CC=CC=C2O1)C(=O)NN=C/C=C/C3=CC4=C(C=C3)OCO4 1 2.584 2 5 0 0.222219816171249 12005672 CC(C)CN(CC(C)C)CC(COC1=CC=C(C=C1)[N+](=O)[O-])O.Cl Cl- 1 3.719 2 4 -5.68417117658681 12005671 CCCCC(CC)CN1C(=O)/C(=C/C2=C(NN=C2)C3=CC=CC=C3)/SC1=S 1 6.317 3 1 -8.25203104401723 12005670 CC1=CC2=C(/C(=C\3/CC(N(N3)C(=O)CCC(=O)O)C4=CC=CS4)/C(=O)N=C2C=C1)C5=CC=CC=C5 1 3.13 3 4 0 -14.2887405113215 12005669 COC1=CC=C(C=C1)C2=NNC(=S)N2N=C/C=C/C3=CC=CC=C3OC 1 4.074 4 2 1.38121648073533 12005668 CCOC1=CC=CC(=C1)C2=CSC(=N2)C3COC4=CC=CC=C4O3.Cl Cl- 1 4.262 1 3 6.9167203596858 12005667 C1CN2CCC1C(C2)NCC3=CC=C(C=C3)Cl.Cl Cl- 1 2.568 2 0 9.35597684917939 12005666 CC1(C2CCC1(C(=NNC3=NC(=O)/C(=C\C4=CC(=CC=C4)Br)/S3)C2)C)C 1 5.082 3 1 -1.16423274715027 12005665 COC1=C(C=CC(=C1)CNCC2=CC=CC=N2)OCC3=CC=CC=C3Cl.Cl Cl- 1 4.23 2 2 -3.30155564212783 12005664 CC1=C(C=C2C(=N1)N(C(=O)N(C2=O)C)C)C(=O)NN/C=C\3/C=CC(=O)C(=C3)O 1 -0.714 5 5 0 -11.9347910427543 12005663 CC1(C2CCC1(C(=NNC3=NC(=O)/C(=C\C4=CC=C(C=C4)Cl)/S3)C2)C)C 1 4.998 3 1 -1.46488105621301 12005662 C1=CC(=CC=C1C(=O)C[N+]2=CN(N=C2)CC(=O)C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-].[Br-] Br- 1 4.295 4 4 0 -0.298324341101926 12005661 CC1=CC=CC=C1NN/N=C\2/N=C3C(=N2)N(C(=O)N(C3=O)C)C 1 1.124 7 2 0 -6.91712379975237 12005660 C1=CC=C(C=C1)C\2=NC(=N)S/C2=N\NC3=CC=CC4=CC=CC=C43 1 5.402 4 0 0.313951783550274 12005658 CCN1CCCC1CNCC2=C(C(=CC=C2)OC)OCC3=CC=CC=C3.Cl Cl- 1 3.895 2 2 -5.30693803463064 12005657 CC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 2.052 5 1 -2.76354410036569e-002 12005656 C1C2C(C([C@]3(N2CS1)C4=CC=CC=C4NC3=O)C(=O)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-] 1 4.052 3 4 0 -5.40067543762798 12005655 C1CN2CCC1C(C2)NCC3=CC=CC=C3Cl.Cl Cl- 1 2.568 2 0 6.57956846627958 12005654 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=C/C=C/C3=CC=CC=C3OC 1 2.439 4 4 0 -15.7204234869249 12005653 COC1=C(C=C(C=C1)CC2=NNC(=NC2=O)NN/C=C/3\C=CC(=O)C=C3O)OC 1 0.443 5 5 0 -15.0238184105036 12005652 CN(C)C1=CC=C(C=C1)[C@@H]2[C@H]([C@H]3C=CC4=CC=CC=C4N3[C@H]2C(=O)C5=CC=C(C=C5)Cl)[N+](=O)[O-] 1 5.96 3 3 -0.682924562383602 12005651 CCN1CCCC1CNCC2=C(C(=CC=C2)OC)OCC3=CC=C(C=C3)F.Cl Cl- 1 4.101 2 2 -3.68285187786101 12005650 CN(C)C1CCCC1OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl Cl- 1 3.727 1 3 -5.23261803772437 12005649 C1CN(CCN1CC2=CC=CC=C2Cl)CC(=O)NN=C/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 3.485 5 3 0 5.78928585069925e-002 12005648 CCOC(=O)C(C)(C)N(CC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 4.605 2 6 0 -6.60034560734668 12005647 CCOC(=O)C(C)(C)N(CC1=CC=CC(=C1)C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 4.427 2 6 0 -6.39509156820278 12005646 CC1=CC(=CC=C1)NC(=S)NN=C2CC(OC3=C2C=C(C=C3)O)(C)C 1 4.811 3 2 -9.02815442837045 12005645 CC1CCC(CC1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4 1 1.573 3 5 0 -24.7419017964799 12005644 CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 4.698 2 6 0 -15.2648627190963 12005643 CCOC(=O)C(C)(C)N(CC1=CC=CC(=C1)C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 3.762 2 6 0 -7.69191710388718 12005642 C1CCN(C1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-] 1 1.871 3 6 0 -4.44507441194059 12005641 CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 4.212 2 6 0 -15.8955444257904 12005640 C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-] 1 2.42 2 4 -14.4632231976879 12005639 COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-] 1 0.778 2 7 0 -25.2919125023371 12005638 CCCCN(C)CCCNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.778 4 5 0 -30.8607413478132 12005637 CCOC(=O)C(C)(C)N(CC1=CC=CC=C1C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 4.427 2 6 0 -9.07706688260365 12005636 CCOC(=O)C(C)(C)N(CC1=CC=C(C=C1)C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 4.427 2 6 0 -7.60621529641502 12005635 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NCC4=CN=CC=C4 1 1.162 4 4 0 -32.8083641106503 12005634 CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 2.192 2 6 0 -6.12370783443256 12005633 CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 3.099 2 4 -3.7817069213313 12005632 C1CCC2(CC1)N=C([C@H]3N2C3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5 1 4.605 3 2 1.05691061145974 12005631 C1CCC2=C(C1)C(=C(S2)N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@@H]4C3=O)[C@@H]6[C@H]5C(=NO6)C7=CC=C(C=C7)Cl)C#N 1 4.233 3 3 -9.29876199900571 12005630 CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=O)C3=CC=C(C=C3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6 1 4.097 2 5 0 -15.6878031279464 12005629 CCN(CC)C(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=C(C=C3)Br 1 3.414 2 4 -16.223584702658 12005628 COC1=C(C=C(C=C1)C2=NO[C@H]3[C@@H]2[C@H]4C[C@@H]3[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC7=C(C=C6)OCO7)OC 1 2.256 2 7 0 -5.80592401453613 12005627 C1[C@H]2[C@@H]3[C@H]([C@@H]1[C@@H]4[C@H]2C(=NO4)C5=CC=C(C=C5)OCC#N)C(=O)N(C3=O)C6=CC7=C(C=C6)OCO7 1 2.003 3 6 0 -6.89888984467052 12005626 CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCC3=CN=CC=C3.Cl Cl- 1 2.794 3 3 -5.03662621517887 12005625 COC1=C(C=C(C=C1)C2=NO[C@H]3[C@@H]2[C@H]4C[C@@H]3[C@H]5[C@@H]4C(=O)N(C5=O)C6=C(C7=C(S6)CCCC7)C#N)OC 1 3.536 3 5 0 -14.6151577500952 12005624 C1[C@H]2[C@@H]3[C@H]([C@@H]1[C@@H]4[C@H]2C(=NO4)C5=CC=C(C=C5)Cl)C(=O)N(C3=O)C6=CC7=C(C=C6)OCO7 1 2.953 2 5 0 -0.349690359225005 12005623 CCCCOC(=O)C[N+](C)(C)CCOC1CC2CCC1(C2(C)C)C.[Br-] Br- 1 2.203 1 3 -6.76633375026973 12005622 CC1(C2CCC1(C(C2)OCC[N+](C)(C)CC(=O)OC3CCCCC3)C)C.[Cl-] Cl- 1 2.733 1 3 -7.30749648528831 12005621 CCCOC1=C(C=C(C=C1)CN(CCO)CCO)[N+](=O)[O-].Cl Cl- 1 1.575 2 5 0 3.36286970249867 12005620 CCCCCCCC[N+]1=CC=CC(=C1)C(=O)N(CC)CC.[Br-] Br- 1 4.699 2 1 -3.90565001025814 12005619 C1=CC=C(C(=C1)C(=O)NCC(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)/C=C/C3=CC=CO3)F 1 3.992 3 5 0 -13.99885962076 12005618 C1=CC=C(C=C1)COC(=O)CCCNC(=O)/C(=C/C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CC=C3 1 4.603 2 4 -28.1236357609273 12005617 C1=CC=C(C=C1)COC(=O)CCCNC(=O)/C(=C/C2=CC=CC=C2F)/NC(=O)C3=CC=CC=C3 1 4.06 2 4 -26.8085146394697 12005616 CC(C)COC1=C(C=C(C=C1)CN=C(N)N=C(N)N)Cl.Cl Cl- 1 1.83 5 1 0 -4.19924702987503 12005615 CCCOC1=C(C=C(C=C1)Br)CSC(=N)N.Cl Cl- 1 3.611 2 1 -1.92461366960888 12005614 CCO.C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)NNC(=S)NCC5=CC=CC=C5 CCO 1 4.978 5 1 -13.7128778117169 12005613 CCCCOC1=C(C=C(C=C1)Br)CSC(=N)N.Cl Cl- 1 4.068 2 1 -3.1162035075402 12005612 C1CCC2(C1)N=C([C@H]3N2C3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5 1 4.149 3 2 1.41137912562782 12005610 C1=CC=C2C3C4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CN=CC=C6 1 2.649 2 2 -5.37854440342879 12005609 CCCCCCCOC(=O)C[N+](C)(C)CCOC1CC2CCC1(C2(C)C)C.[Br-] Br- 1 3.572 1 3 -6.1295144539393 12005608 CCCCN1C(=O)/C(=C/NN2CCCCC2C3=CN=CC=C3)/C(=O)NC1=S 1 1.806 5 2 0 -2.13681015427578 12005607 COC1=CC=CC=C1/C=C/C(=O)NCC(=O)NN=CC2=CN=CC=C2 1 1.043 4 3 0 -11.9943482014536 12005606 COC1=C(C=C(C=C1)CN(CCO)CCO)[N+](=O)[O-].Cl Cl- 1 0.702 2 5 0 1.36733889979963 12005605 CCCCCOC1=C(C=C(C=C1)CN2C=CN=C2)[N+](=O)[O-].Cl Cl- 1 3.169 3 3 -1.47289501694236 12005604 COC1=CC=C(C=C1)C2=CN(C3=[N+]2CCS3)C4=CC=CC=C4.O.[Br-] Br- H2O 1 4.629 2 1 0.873087365857179 12005603 C1=CC(=CC(=C1)F)C(=O)NCC(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)/C=C/C3=CC=CO3 1 3.992 3 5 0 -11.3521209697615 12005602 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=NC5=CC=CC=C5N4)S(=O)(=O)N6CCCCC6.Cl Cl- 1 4.755 6 2 0 -17.8211790845274 12005601 CCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N(CC)CC.[Br-] Br- 1 5.612 2 1 -3.90565001025814 12005600 CCOC1=C(C=C(C=C1)CSC2=NCCN2)[N+](=O)[O-].Cl Cl- 1 2.464 3 3 -11.6658838420297 12005599 CCOC1=CC=C(C=C1)C(=O)C(CCC(CN(C)C)C(=O)C2=CC=C(C=C2)OCC)CN(C)C.Cl Cl- 1 4.866 2 4 -3.20619112382516 12005598 CCCOC1=CC=C(C=C1)C(=O)C(CCC(CNCC)C(=O)C2=CC=C(C=C2)OCCC)CNCC.Cl Cl- 1 5.539 2 4 -3.70118789433925 12005597 CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N(CC)CC.[Br-] Br- 1 8.349 2 1 -3.90565001025814 12005539 C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O 1 4.985 2 3 2.24031382680542 12005540 CCOC1=CC=C(C=C1)C2=C[N+]3=C(N2C4=CC=CC=C4)CCCCC3.[Br-] Br- 1 5.644 2 1 0.966054381367622 12005541 CCOC1=CC=C(C=C1)N2C3=[N+](CCCCC3)C=C2C4=CC=CC=C4.[Br-] Br- 1 5.644 2 1 1.15803047564005 12005542 CC1=CC(=CC=C1)N2C(=O)C(SC2=O)SC(=NC3=CC=CC=C3)NC4=CC=CC=C4.Br Br- 1 6.54 3 2 4.12203786480566 12005543 C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)SC3C(=O)N(C(=O)S3)C4=CC=CC=C4.Br Br- 1 6.053 3 2 1.78133464954757 12005544 C1=CC=C(C=C1)C(=O)NC2=C[N+](=CC=C2)CC(=O)C3=CC=CC4=CC=CC=C43.[Br-] Br- 1 4.383 2 2 0.636394620396861 12005545 C1=CC(=C(C=C1C2=CN3C=C(C=CC3=N2)Br)Cl)Cl.Br Br- 1 4.594 2 0 5.15054828902019 12005546 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)NN/C=C\3/C=CC(=O)C(=C3)O 1 1.097 3 4 0 -1.84740942608602 12005547 CCCCCCCCCCOC(=O)C[N+](C)(C)C/C=C(/C)\Cl.[Br-] Br- 1 3.923 1 2 -6.66434067165605 12005548 CCCCCCCCOC(=O)C[N+](C)(C)C/C=C(/C)\Cl.[Br-] Br- 1 3.011 1 2 -6.66434067165605 12005549 CCOC(=O)N1CCN(CC1)C(=O)/C(=C/C2=CC=CC3=CC=CC=C32)/NC(=O)C4=CC(=C(C=C4)OC)OC 1 3.285 3 6 0 -20.0110797156115 12005550 CC1=CC(=NC(=N1)SCC2=CSC(=N2)C3=CC=CC=C3)C.Br Br- 1 3.858 3 0 -2.02823404692024 12005551 COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O 1 4.968 2 4 2.16770443175803 12005552 CC1CC(CCO1)C2=NC(=CS2)C3=CC=CC=C3.Cl Cl- 1 3.227 1 1 1.53218624974062 12005553 CC1CC(CCO1)C2=NC(=CS2)C3=CC(=CC=C3)Br.Br Br- 1 3.976 1 1 4.035768145881 12005554 CC1(CC(CCS1)C2=NC(=CS2)C3=CC=C(C=C3)Br)C.Cl Cl- 1 4.925 1 0 3.86340535634104 12005555 CC1(CC(CCS1)C2=NC(=CS2)C3=CC=CC=C3)C.Br Br- 1 4.177 1 0 3.02354999454046 12005556 C1CCC2(CC1)CCCN(C2)CCN3CCCC4(C3)CCCCC4.Cl Cl- 1 5.473 2 0 3.85540504518807 12005557 C1C2=CC=CC=C2C(=N)N1CC(=O)C3=CC=CC=C3.Cl Cl- 1 2.307 2 1 -7.71291083983288 12005558 COC1=CC=C(C=C1)CN2C3=CC=CC=[N+]3C=C2C4=CC=C(C=C4)Cl.[Br-] Br- 1 5.233 2 1 1.35203562509383 12005559 C1CCC2=[N+](C=C(N2CC1)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)Cl.[Br-] Br- 1 5.655 2 1 2.42759638385244 12005560 CC1=CC=C(C=C1)C2=C[N+]3=CC=CC=C3N2CC4=CC=C(C=C4)OC.[Br-] Br- 1 5.055 2 1 -0.469963065492986 12005561 COC1=CC=C(C=C1)CN2C3=CC=CC=[N+]3C=C2C4=CC=C(C=C4)Br.[Br-] Br- 1 5.317 2 1 -0.104624120007605 12005562 CCOC1=CC=C(C=C1)N2C3=[N+](CCCCC3)C=C2C4=CC=C(C=C4)OC.[Br-] Br- 1 5.627 2 2 1.07430411161155 12005596 CCCCCCCCCCCC[N+](C)(C)CC#CC.[Br-] Br- 1 5.085 1 0 -6.66579726641934 12005595 C1C(OC2=CC=CC=C2O1)C(=O)NCC(=O)NN/C=C/3\C=CC(=O)C=C3O 1 -0.699 3 6 0 -6.96964606004801 12005594 CC(=NNC(=O)CSC1=CC=CC=N1)/C=C/C2=CC=CC=C2 1 2.904 3 1 -9.2361464829678 12005593 CCCCOC1=C(C=C(C=C1)CSC2=NCCN2)[N+](=O)[O-].Cl Cl- 1 3.444 3 3 -11.5216784965648 12005592 C1=CC=C(C=C1)COC(=O)CCCNC(=O)/C(=C/C2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 4.06 2 4 -27.7770976809475 12005591 CC1=CC=C(C=C1)C#CC[N+]2(CCCCC2)CC#CC3=CC=C(C=C3)C.[Br-] Br- 1 5.202 1 0 0.15420570294029 12005590 C[N+](C)(CC#C)CC#CC1=CC=C(C=C1)Cl.[Br-] Br- 1 2.995 1 0 1.44374954923544 12005589 C1[C@H]2[C@@H]3[C@H]([C@@H]1[C@@H]4[C@H]2C(=NO4)C5=CC=C(C=C5)OCC6=CC=CC=C6)C(=O)N(C3=O)C7=CC8=C(C=C7)OCO8 1 3.856 2 6 0 -3.0088568190026 12005588 CC1=CC=C(C=C1)C2=NO[C@H]3[C@@H]2[C@H]4C[C@@H]3[C@H]5[C@@H]4C(=O)N(C5=O)C6=C(C7=C(S6)CCCC7)C#N 1 4.055 3 3 -11.1207606895925 12005586 CCCCCCC1CC(OC1=O)(C)C(=O)C[NH2+]C2=NN=CS2.[Br-] Br- 1 2.394 3 3 -7.98346539439727 12005585 CC(=CC[N+]1(CCCCC1)C)C.[Br-] Br- 1 1.347 1 0 0 -5.73034470747733 12005584 CC1=CC=C(C=C1)C#CC[N+]2(CCCCC2)CC#C.[Br-] Br- 1 3.734 1 0 -1.35139606506781 12005583 C1CCC(CC1)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H]5[C@H]4C(=NO5)C6=C(C=C(C=C6)Cl)Cl 1 4.131 2 3 -3.07758740647155 12005582 C1CCC2=C(C1)C(=C(S2)N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@@H]4C3=O)[C@@H]6[C@H]5C(=NO6)C7=CC=C(C=C7)OCC#N)C#N 1 3.283 4 4 0 -14.3813886631478 12005581 CCCCCOC1=C(C=C(C=C1)Br)CSC(=N)N.Cl Cl- 1 4.524 2 1 -2.42213409367341 12005580 C1C(OC2=CC=CC=C2O1)C3=CSC(=N3)N=C(N)N.Cl Cl- 1 0.865 4 2 0 7.28577569124488 12005579 CC(C)(C)OC(=O)NN=CC1=C/C(=N/NC2=CC=CC=C2)/C=CC1=O 1 3.163 4 3 0 -10.1747099947327 12005578 CCOC1=C/C(=C/NNC(=O)COC2=C(C(=CC(=N2)C)COC)C#N)/C=CC1=O 1 0.232 4 5 0 -12.285587378992 12005577 CCN1C2=CC=CC=C2/C(=N/NC(=O)C3C(CNC3=O)C4=CC=CC=C4)/C1=O 1 1.446 4 3 0 -9.38726578707317 12005576 C1=CC=C(C=C1)C=NN/C=C/2\C=NC(=O)C(=C2NC3=CC=CC=C3)C#N 1 2.245 5 1 -2.24713040257637 12005575 C1=CC=C2C(=C1)C=CC=C2C(=O)NN/C=C\3/C(=O)C4=CC=CC=C4S3 1 2.851 2 2 -1.96098786391267 12005574 C[N+](C)(CC=C)CC(=O)OCC1=CC=CC=C1.[Br-] Br- 1 0.872 1 2 0 -8.79311496730248 12005573 C1CCC2=[N+](CC1)C(=NN2CC(=O)C3=CC=CC=C3)CNC4=CC=C(C=C4)Cl.[Br-] Br- 1 4.725 4 1 -4.45562930436753 12005572 C1CCC2=[N+](CC1)C(=NN2CC(=O)C3=CC=C(C=C3)Cl)CNC4=CC=C(C=C4)Cl.[Br-] Br- 1 5.39 4 1 -4.48630067907573 12005571 C1CC2=NN=C(N2C1)C3=CC=[N+](C=C3)CC(=O)C4=CC=C(C=C4)Cl.[Br-] Br- 1 3.365 4 1 -2.96366394896421 12005570 CC1=CC=C(C=C1)C2=CN(C3=[N+]2CCS3)C4=CC=C(C=C4)OC.[Br-] Br- 1 5.115 2 1 1.53957987644481 12005569 C1CC2=[N+](C1)C(=CN2C3=CC=C(C=C3)SC(F)F)C4=CC=C(C=C4)Cl.[Br-] Br- 1 6.427 2 0 5.80451289935361 12005568 CC1C(=NN2C3=CC=CC=C3[N+](=C2S1)C)C4=CC=CC=C4.[Br-] Br- 1 4.727 3 0 -1.17882553617212 12005567 CCN1CCC(CC1)C2=NC(=CS2)C3=CC(=CC=C3)Br.Cl Cl- 1 4.216 2 0 7.34969927221939 12005566 CCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCC.[I-] I- 1 7.952 2 0 7.02179252639655 12005565 C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)[C@@H]4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57 1 4.744 2 2 -2.50473233927243 12005538 C1CC[N+](C1)(CC#CC2=CC=CC=C2)CC#CC3=CC=CC4=CC=CC=C43.[Br-] Br- 1 4.682 1 0 3.23750527972116 12005537 CC1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C.[Br-] Br- 1 5.181 1 1 1.69909376853938 12005536 CCOC(=O)C1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)F.[Br-] Br- 1 3.1 1 3 -4.9457812480999 12005535 CC1=C[N+](=CC=C1)CC(=O)C2=CC=C(C=C2)OC.[Br-] Br- 1 3.16 1 2 -0.644661890648855 12005534 CC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)OC.[Br-] Br- 1 3.16 1 2 -1.63590180739825 12005533 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCC(=O)NN/C=C\3/C=CC(=O)C(=C3)[N+](=O)[O-] 1 1.338 4 5 0 -15.2574389842581 12005532 COC(=O)CCCCCCCCC(CN1CCCCC1)O.Cl Cl- 1 3.74 1 3 -12.976701325986 12005531 CC(C)(C)C(=O)C[N+]1=CC=C(C=C1)C(=O)N.[Br-] Br- 1 1.565 2 2 0 -9.91331625264588 12005530 CC1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=C2)OCCO3.[Br-] Br- 1 2.962 1 3 -4.9810705952774 12005529 CC1=CC=CC2=NC(=C(N12)Br)CSC(=N)N.Cl Cl- 1 2.228 4 0 -0.683452539606446 12005528 C1=CC2=NC(=C(N2C=C1)Br)CSC(=N)N.Br Br- 1 1.945 4 0 0 -1.55324022616331 12005527 CCO.COC1=C(C=C(C=C1)CNC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl)OC CCO 1 5.228 3 2 -6.98255959209507 12005526 C1COCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)/NC(=O)C5=CC=CC=C5 1 4.726 4 3 0 -4.99201560256926 12005525 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCCCN3C=CN=C3 1 1.177 4 4 0 -16.536980189729 12005524 CCO.C\1CC2=C(/C1=C/C3=CC=CC=C3Cl)OC(=C(C2C4=CC=CC=C4Cl)C#N)N CCO 1 5.351 2 1 -5.75347058591304 12005523 CCO.CC(C)(C)C(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3=CC=CS3 CCO 1 5.303 2 1 -16.042606955269 12005522 C1CCC2=[N+](CC1)C(=NN2CC(=O)C3=CC=C(C=C3)Br)CNC4=CC=C(C=C4)Cl.[Br-] Br- 1 5.474 4 1 -3.2946427913728 12005521 C1CSC(=NCC2=CC=CC=C2)N1CC(=O)C3=CC=CC=C3.Br Br- 1 3.699 2 1 -9.47276679327947 12005520 CC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=NN=C4N3CCC4.[Br-] Br- 1 3.187 4 1 -4.78566263955103 12005519 C1CC2=[N+](C1)C(=CN2C3=CC=C(C=C3)SC(F)F)C4=CC=CC=C4.[Br-] Br- 1 5.763 2 0 3.50799779245159 12005518 COC1=C/C(=C/NNC2=NC3=CC=CC=C3N2)/C=CC1=O 1 0.88 4 2 0 3.75021417107106 12005517 CC1=CC=C(C=C1)C2=CN(C3=[N+]2CCC3)C4=CC=C(C=C4)SC(F)F.[Br-] Br- 1 6.249 2 0 3.98251420876679 12005516 CCCN(CCC)C(=O)C[N+]1=CC=CC(=C1)C=NO.[Cl-] Cl- 1 2.272 3 2 -7.26083558956935 12005515 C1CSC(=NCC2=CC=CC=C2)N1CC(=O)C3=CC=C(C=C3)Cl.Br Br- 1 4.364 2 1 -6.56208907313506 12005514 C1CC2=NN=C(N2C1)C3=CC=[N+](C=C3)CC(=O)C4=CC(=C(C=C4)Cl)Cl.[Br-] Br- 1 4.03 4 1 -3.52599341584606 12005513 COC1=C(C=C(C=C1)C2=CN(C3=[N+]2CCC3)C4=CC=C(C=C4)SC(F)F)OC.[Br-] Br- 1 5.73 2 2 -0.344862918134324 12005512 COC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=NN=C4N3CCC4.[Br-] Br- 1 2.685 4 2 -5.19862884869517 12005511 CN(CCN1CCOCC1)C2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC 1 2.969 4 2 -13.2980382407744 12005510 CC(=O)N1CCC(CC1)N(CCOC)C(=S)NC2=CC=C(C=C2)OC 1 2.271 3 3 -11.5693785609463 12005509 CC(=O)N1CCC(CC1)N(CCOC)C(=S)NC2=CC(=CC=C2)OC 1 2.271 3 3 -11.2126731662586 12005508 COC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.898 3 5 0 -17.4188682445118 12005507 C1CCC(C1)NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(S3)Br 1 3.276 2 3 -14.9435369498654 12005506 CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4)C 1 4.73 3 2 4.05043343253069 12005505 CCNC(=S)N1CCN2C(=NC3=CC=CC=C32)C1 1 2.859 4 0 -8.41983073791468 12005504 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(=O)/C=C(/C2=CC(=CC=C2)OC)\O 1 1.099 2 7 0 -9.92710368190887 12005503 C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)S/C(=C\C5=CC=CC=C5)/C(=O)N4 1 4.147 2 2 -10.8399323828268 12005502 CN(CCN1CCOCC1)C2CCN(CC2)C(=S)NC3=CC(=C(C=C3)OC)Cl 1 3.633 4 2 -13.7198868890465 12005501 CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)N(C)CCN3CCOCC3 1 3.317 4 2 -14.0642613924824 12005500 CCC1=C(C(=CC=C1)CC)NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3 1 4.767 2 3 -15.4233008291592 12005499 CC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-])NC(=O)C(C)C 1 4.023 3 4 0 -8.23781431259558 12005498 CC1CCN(CC1)S(=O)(=O)C2=C(SC3=NC=NC(=C23)NC4=CC(=C(C(=C4)OC)OC)OC)C 1 3.583 4 5 0 -16.6636991328963 12005497 CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4 1 4 3 3 -5.84401937251197 12005496 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4 1 3.498 3 4 0 -6.81388123080415 12005495 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3 1 3.855 2 3 -16.1046679245981 12005494 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN/C=C/3\C=C(C=C(C3=O)[N+](=O)[O-])Cl 1 1.586 4 4 0 -5.66373181388837 12005493 CCCC\1=NN(C(=O)/C1=C/NC2=CC(=CC=C2)F)C3=CC=C(C=C3)F 1 3.91 3 1 -4.95346177537545 12005492 CC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.401 3 4 0 -17.0059020353676 12005491 C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C4=CC=CC=C4O/C(=C/C5=CC(=CC=C5)F)/C3=O 1 3.212 4 3 0 -2.32177737568602 12005490 CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNC3CCCC3 1 0.869 2 2 0 -3.8585968468822 12005489 CC1CCCCC1NCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3)C 1 1.644 2 2 0 -9.17034654043532 12005488 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC)C(=O)COC3=CC=C(C=C3)F 1 4.482 1 5 -4.06530061539592 12005487 CC1=CC=C(C=C1)OCC(=O)N(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C 1 4.763 1 5 -5.60349658307873 12005486 CN1C(=CC(=O)N(C1=O)C)NN/C=C/2\C=CC(=O)C(=C2)OC 1 -0.803 4 4 0 -6.06892494228629 12005485 CC1=C(C=C2C(=N1)N(C(=O)N(C2=O)C)C)C(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 -0.434 6 6 0 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C1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)N3)C4=CC=CC=C4)CCC(=O)O 1 3.939 4 3 0 -7.0705289495125 12005473 CCSC1=NC(=O)C(=NN1)C2=CC=CC=C2N/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C 1 3.12 6 2 0 -14.412341568805 12005472 CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=C(N2)C)/C=C\3/C=CC(=O)C(=C3)OC)C 1 1.364 3 5 0 -9.99395350370641 12005471 C1=CC=C(C=C1)/C=C/C=NN(CCO)C2=NS(=O)(=O)C3=CC=CC=C32 1 2.291 3 3 3.78483115243719 12005470 CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NN=C3CCN(CC3)C)S(=O)(=O)C)C 1 2.851 4 3 0 -12.5301765791298 12005469 CC1=CC(=C(C=C1)N(CC(=O)NN=C2CCN(CC2)C)S(=O)(=O)C3=CC=CC=C3)C 1 2.696 4 3 0 -13.6406200305061 12005468 C1OC2=C(O1)C=C(C=C2)NCC(=O)NN=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5 1 4.194 4 3 0 -11.4263984214389 12005467 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C(/C#N)\C(=O)NC3=CC=C(C=C3)Cl 1 3.602 4 1 -13.0075511442846 12005466 CC1=CC(=CC=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N5CCOCC5)[N+](=O)[O-])C2=O 1 3.577 3 5 0 -4.3825545633272 12005465 CC1=C(C(=CC=C1)C)NC2=C(C(=O)OC2OC(C)C)Cl 1 3.614 1 3 -5.00547511618775 12005464 CC1=CC(=C(C=C1)NC2=C(C(=O)OC2OC(C)C)Cl)C 1 3.614 1 3 -4.19984426178593 12005463 C1C=CCC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)NCCC4=CC=CC=C4)[N+](=O)[O-] 1 3.619 3 4 0 -4.84256058943484 12005462 COC1=C(C(=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)O)OC 1 3.065 3 6 0 -11.5478885202725 12005461 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NN=CC3=CC=CC=C3OC 1 3.64 3 4 0 -8.86987411668214 12005460 COC1=CC2=C(C=C1)C=C(C=C2)C(=O)NN/C=C\3/C(=O)C4=CC=CC=C4S3 1 2.835 2 3 -7.24839567488192e-002 12005459 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NN=CC3=CC=CC=C3[N+](=O)[O-] 1 2.653 4 5 0 -16.2244244364647 12005458 C1COCCN1C2=C(C(=O)OC2OC(=O)C3=CC=CC=C3Br)Cl 1 2.667 1 5 -5.97360729628737 12005457 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN/C=C/3\C=C(C=C(C3=O)[N+](=O)[O-])Br 1 1.67 4 4 0 -6.15649263439615 12005456 CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(=O)NN/C=C/4\C=C(C=CC4=O)Br)C 1 -0.917 2 7 0 -21.0106477665983 12005455 C1=CC(=O)/C(=C/NNC(=O)CNC(=O)C2=CC=NC=C2)/C=C1Br 1 -0.632 4 3 0 -12.2701405216188 12005454 CCOC1=CC2=C(C=C1)N=C(S2)N/C=C\3/C(=O)OC(=N3)C4=CC=CC=C4 1 3.139 3 3 -7.29670746095985 12005453 CC1=CC=CC=C1C(=O)OC2C(=C(C(=O)O2)Cl)N3CCOCC3 1 2.405 1 5 -8.18668037035867 12005452 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NN=C(C)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.633 4 5 0 -19.0523634237136 12005451 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC=NC=C3)C(=O)C4=CC=NC=C4 1 3.589 3 5 0 -11.3909742874037 12005450 CC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)NCCC(C)C 1 2.629 3 2 -19.3668175170198 12005449 CC1=CC(=CC=C1)CCNC(=O)CN(C)S(=O)(=O)C2=CN=CN2 1 0.409 4 3 0 -7.94887904644523 12005448 CC(=O)N1CCC(CC1)N(CCOC)C(=S)NC2=CC=CC=C2OC 1 2.271 3 3 -13.8182547853649 12005447 CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3)C 1 2.032 3 4 0 -11.1623529306916 12005446 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CC=C3F)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-] 1 4.1 4 4 0 -7.17007958990131 12005445 COC1=CC=C(C=C1)C(=O)ON2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Br 1 4.725 2 4 0.547490812497493 12005444 CC1=NO[N+](=C1COC2=C(C=C(C=C2)/C=C\3/C(=O)OC(=N3)C4=CC=CC=C4)OC)[O-] 1 0.475 3 6 0 -12.8291170801199 12005443 CC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4)C 1 4.839 1 3 -9.18507832219849 12005442 CC1=CSC2=NC(=O)/C(=C\C3=CC=CN3C4=CC=C(C=C4)[N+](=O)[O-])/C(=N)N12 1 3.387 5 3 0 -10.0813743826174 12005441 C1=CC=C(C=C1)CCN=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-] 1 2.953 5 3 0 -0.636187246716127 12005440 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCOC)N3CCCC3 1 3.596 4 1 -10.559433600567 12005439 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NOC3=C2CCC4=CC=CC=C43 1 4.53 2 4 -13.7320772375927 12005438 CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=CS4)C(=O)NC5=CC=CC=C5OC 1 3.884 4 2 -22.3260563401883 12005437 COC(=O)C1=C(N(N=N1)CC(=O)NC(=O)NC2=CC=C(C=C2)F)C(=O)OC 1 1.065 5 6 0 -14.9658956045671 12005436 CC1=CSC2=NC(=O)/C(=C\C3=CC=CN3C4=CC=CC=C4)/C(=N)N12 1 3.493 4 1 -8.75086333237261 12005435 CCOC(=O)C1=CC=CC=C1NC(=S)N2CCCCC2 1 4.169 2 2 -17.4953350610074 12005434 CC1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC=C3)C#N 1 5.066 3 1 -23.5047490194224 12005433 C1COCCN1C(=O)OC2=CC=CC(=C2)C=NNC(=O)C3=CC=CS3 1 2.293 3 4 0 -11.0816188879741 12005432 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=CS2)OC(=O)N3CCOCC3 1 2.626 3 5 0 -15.3680618293773 12005431 CCOC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CCOC3=CC=C(C=C3)OC)/C#N 1 4.456 2 4 -9.42162045506355 12005430 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CS3)NC(=O)/C=C/C4=CC(=CC=C4)Cl 1 4.618 3 2 -3.46166361561405 12005429 C1CCC(CC1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl 1 4.553 4 4 0 -6.73953356836975 12005428 CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)OC(C)(C)C 1 2.637 3 7 0 -23.4167299154637 12005427 CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)C)C)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-] 1 4 2 7 0 -24.0593745057854 12005426 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C2=CC3=C(C=C2)OC4=C3CCCC4)C(=O)C5=CC=NC=C5 1 4.888 3 6 0 -15.9792378176821 12005425 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2C)S(=O)(=O)NC3=CC=NC=C3)C 1 3.319 3 4 0 -4.88116241860409 12005424 CCN(CCO)C(=S)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC 1 2.568 2 5 0 -15.5362039160539 12005423 C1COCCN1CCCN(CC2=CC=CS2)C(=S)NCC(=O)N3CCOCC3 1 1.359 4 3 0 -14.1971108331805 12005422 CC1=CC=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)OCO3)N(C)C(=O)/C=C\C4=CC5=C(C=C4)OCO5 1 4.089 2 6 0 -9.60935735311758 12005421 CC1=C(C=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=N3)Cl 1 4.735 4 1 -8.55555849163314 12005420 CC(C)CCNC(=O)CNC(=S)N(CCCN1CCOCC1)CC2=CC=CS2 1 3.046 4 2 -20.0931230851917 12005419 CCCCNC(=O)CNC(=S)N(CCCN1CCOCC1)CC2=CC=CS2 1 2.794 4 2 -18.3821728616044 12005418 C1CCCC(CCC1)NC(=O)CNC(=S)N(CCCN2CCOCC2)CC3=CC=CS3 1 4.236 4 2 -15.7205354848924 12005417 C1C=CCC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)NCCC4=CC(=CC=C4)F)[N+](=O)[O-] 1 3.824 3 4 0 -2.2958814068585 12005416 C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=CC=C2)Br)/NC(=O)C3=CC=CO3 1 3.715 2 3 -12.0170434460243 12005415 COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)N3C(=O)CCCC3=O)[N+](=O)[O-])OC 1 2.858 3 6 0 -12.2072308583237 12005414 CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)N4C(=O)CCCC4=O)[N+](=O)[O-])C 1 4.104 4 4 0 -2.13722424289543 12005413 CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)N3C(=O)CCCC3=O)[N+](=O)[O-] 1 3.086 3 4 0 -7.64974843848316 12005412 CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)N3C(=O)CCCC3=O)[N+](=O)[O-] 1 3.219 3 4 0 -8.87111954222828 12005411 COC1=CC(=C(C=C1)NC2=C(C=C(C=C2)N3C(=O)CCCC3=O)[N+](=O)[O-])OC 1 2.858 3 6 0 -9.42144030338092 12005410 CC1=CC(=NN1CC(=O)NN=C/C(=C\C2=CC=C(C=C2)C(C)C)/C)C 1 3.613 4 1 -15.1510517823126 12005409 C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NCCC3=CC=CC=C3Cl 1 1.869 3 3 0 -20.3435672210423 12005408 CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C 1 4.415 3 4 0 -5.92519997903034 12005407 CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)C 1 3.82 4 3 0 -6.8633876043808 12005406 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=C(C5=NON=C45)[N+](=O)[O-])NCCCO 1 2.097 6 6 0 6.72991962162853 12005405 CCC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCOCC4 1 3.125 3 5 0 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6 5 0 -24.8047339629293 12005394 CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3N=C(NN3C2C4=CC(=CC=C4)Cl)C(=O)OC(C)C)C)C 1 4.018 5 3 0 -19.7842241196608 12005393 CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3N=C(NN3C2C4=CC=C(C=C4)Cl)C(=O)OC(C)C)C)C 1 4.018 5 3 0 -18.5623866674668 12005392 CC1=CC=CC=C1N/N=C/2\C=CC(=O)C3=C2C=CC=N3 1 3.381 3 1 1.42669631492493 12005391 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=NC=C2)OCC3=CC=C(C=C3)Br 1 3.848 3 2 -4.87253999277896 12005390 C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C(=O)NN=CC3=CC=NC=C3 1 3.848 3 2 -3.79479405654889 12005389 CC(C(=O)NN=CC1=CC=CC=C1OCC2=CC(=CC=C2)Br)NC3=CC=C(C=C3)OC 1 5.127 3 3 -6.35496045743447 12005388 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=C(N=CC=C4)Cl)OC 1 3.223 4 4 0 -7.38639748507801 12005387 CC1=C(C=CC(=C1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4CCCCC4)[N+](=O)[O-] 1 4.375 4 4 0 -12.657924963071 12005386 CCCCOC1=CC=C(C=C1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CS4 1 4.798 3 3 -11.3913677387969 12005385 COC1=CC=CC(=C1OC)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CS4 1 3.453 3 4 0 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CC1CCCC(C1C)NCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3)C 1 1.896 2 2 0 -7.38028059181154 12005330 CCCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SCCC(=O)OC)[N+](=O)[O-] 1 2.562 4 7 0 -12.9640343649315 12005329 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)OC 1 4.799 2 5 0 -5.47753150538508 12005328 CC1=CC=C(C=C1)C2=NN(C(=O)CC2)CC(=O)NCC3=CC=CC=N3 1 1.449 4 2 0 -15.7777039059244 12005327 C1CC(=O)N(N=C1C2=CC=CC=C2)CC(=O)NCC3=CC=CO3 1 1.08 3 3 0 -16.2983476298591 12005326 C1CCC(CC1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 4.553 4 4 0 -11.0544960255847 12005325 C1CCC(CC1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.889 4 4 0 -10.2849436556274 12005324 CC(C)C(C(=O)OC)NC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-] 1 2.422 2 6 0 -18.2321402851139 12005323 CCOC(=O)CNC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-] 1 1.793 2 6 0 -14.0456637174348 12005322 CC1=CC(=C(C=C1)C)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCOCC4 1 3.155 3 5 0 -7.89529933346121 12005321 CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=C(C=CC(=C2)C)C 1 4.521 4 2 -11.4229045522358 12005320 COC(=O)C1=CC2=C(C=C1)O/C(=C\C3=CC=C(C=C3)O)/C2=O 1 2.749 0 5 -4.04129873660101 12005319 CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCC3=CC=CC=C3OC 1 3.928 2 4 -4.30851163988824 12005318 CC(C)C1=CC=C(C=C1)N2C=CC=C2/C=C\3/C(=N)N4C=CSC4=NC3=O 1 4.174 4 1 -9.20324332924678 12005317 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)OC)N4CCCCC4 1 4.252 3 3 -8.81756374661528 12005316 COC1=CC=CC=C1NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=CC=C4OC 1 3.791 3 3 -5.69358957188163 12005315 CC(=O)OCCCNC1=C(C2=NON=C2C(=C1)SCC3=CC=CO3)[N+](=O)[O-] 1 2.312 4 6 0 -4.87647828555853 12005314 CCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=NC4=CC=CC=C4N3)[N+](=O)[O-] 1 3.785 6 5 0 -2.72987060796004 12005313 CCCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=NC4=CC=CC=C4N3)[N+](=O)[O-] 1 4.241 6 5 0 -7.37471289392949 12005312 CCCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=NC=CN3C)[N+](=O)[O-] 1 2.818 6 5 0 -8.46820773850335 12005311 CCCCN(CC)CCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3 1 1.279 4 5 0 -25.3852791401054 12005310 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3)OC 1 3.404 2 5 0 -14.6724679731759 12005309 CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C(C=C3)N4C(=O)CCCC4=O)[N+](=O)[O-] 1 3.996 4 4 0 -12.0073913645702 12005308 CN1C=C(C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C=NNC(=S)NC4=CC(=CC=C4)OC 1 3.373 5 4 0 -19.8217246295093 12005307 CCC1=CC(=CC=C1)NC(=S)NN=CC2=CN(C3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4)C 1 4.332 5 3 0 -18.9161186325086 12005306 CCS(=O)(=O)C1=NN2C(=C(C(=O)N=C2S1)/C=C\3/C=CC(=O)C(=C3)OC)N 1 1.391 4 5 0 -12.7274762058104 12005305 COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3 1 3.38 2 4 -11.7653399015217 12005304 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3 1 3.883 2 3 -11.3523736923776 12005303 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3)OCC 1 4.102 2 5 0 -15.9337773046474 12005302 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4 0 -9.42208948747694 12005211 COC1=CC=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)C5=CC=CC=C5 1 4.125 5 4 0 0.116767745310206 12005210 CC1CN(CCN1C2=CC=C(C=C2)C)CC3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3C5=CC(=CC=C5)OC 1 4.988 5 4 0 -7.99048427177863 12005209 CC1(C(C(=O)C2=CC=CC=C2O1)(SNC3=CC=CC=C3)Cl)C 1 4.88 1 2 5.16813337196875e-003 12005208 CC1(C(C(=O)C2=CC=CC=C2O1)(SNC3=CC(=CC=C3)OC)Cl)C 1 4.864 1 3 -0.542062486877754 12005207 CC1(C(C(=O)C2=CC=CC=C2O1)(SNC3=CC=C(C=C3)F)Cl)C 1 5.086 1 2 1.04211229422297 12005206 C1COC2=C(O1)C=CC(=C2)N3N=C(C(=NC4=CC=CC=C4)N3O)[N+](=O)[O-] 1 2.411 5 5 0 1.23365611184032 12005205 C1=CC(=CN=C1)CN=C2C(=NN(N2O)C3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 2.146 6 3 0 0.865681725027586 12005204 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC3=NSN=C32)C 1 4.866 4 1 -7.67377795474704 12005203 CC1=C(C2=NSN=C2C=C1)NC(=S)NC(=O)C3=CC=CO3 1 3.775 4 2 -7.01491740718074 12005202 C1=CC(=CC(=C1)Cl)N2N=C(C(=NCC3=CN=CC=C3)N2O)[N+](=O)[O-] 1 2.146 6 3 0 2.71628569544985 12005201 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CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=NNC(=S)NC 1 4.8 4 0 -6.41580710424057 12005115 CC(C)OC(=O)/C(=C\C1=CC=CC2=CC=CC=C21)/NC(=O)C3=CC=CC=C3 1 4.276 1 3 -12.2408283374231 12005114 CC1=CC=C(C=C1)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CC(=O)NCCCOC(C)C 1 3.484 2 3 -14.0269677911618 12005113 CC1=C(C(=CC=C1)C)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)N=N2 1 3.312 5 3 0 -5.19634279566239 12005112 CCOC(=O)C1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C4=CC=CO4)C5=CC=C(C=C5)[N+](=O)[O-] 1 4.362 4 6 0 -11.1598219495618 12005111 CCOC(=O)C1CCCN(C1)C(=O)CN2C3=CC=CC=C3O/C(=C\C4=CC=C(C=C4)OC)/C2=O 1 2.783 2 6 0 -11.9556381320792 12005110 CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)SC4=C1C=C(C=C4)Cl 1 5 2 2 -9.85899705876978 12005109 COC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)NCCN4CCC5=CC=CC=C5C4 1 4.357 3 2 -7.72546288248766 12005108 CC1=CC(=CC(=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)N5N=C(N=N5)C)C 1 3.495 5 1 -7.40573026894671 12005107 CC1=NN(C(=C1C=NNC(=O)CNC(=O)C2=CC=CC=C2Cl)Cl)C3=CC=CC=C3 1 3.375 5 2 0 -11.6845147855989 12005106 CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/3\CC4=CC=CC=C4C3=O 1 4.973 1 1 0.251067368637533 12005105 CC1=CC=CC(=C1)/C=C/2\CCC(C2=O)C3CCCC3 1 4.967 0 1 -0.167198224851768 12005104 C\1C2=CC=CC=C2C(=O)/C1=C/C3=CC=CO3 1 3.202 0 2 2.95895423648193 12005103 COC1=CC(=CC(=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=C(C=C(C=C4)F)F)OC 1 2.889 3 5 0 -13.7411751476675 12005102 C1=CC=C(C=C1)N2C=CC=C2/C=C/3\C(=O)N(C(=O)N3)CC4=CC=C(C=C4)F 1 3.899 3 2 3.27959824506773e-002 12005101 C#CCN1C=C(C2=CC=CC=C21)C=NNC3=NC4=CC=CC=C4N3 1 4.56 5 0 4.24509089960672 12005100 CC1=C(C=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)N5N=C(N=N5)C)C 1 3.495 5 1 -7.18944716773867 12005099 CC1CN(CCN1C2=CC=CC(=C2)C)CC3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3C5=CC(=CC=C5)OC 1 4.988 5 4 0 -6.77163474563748 12005098 C1=CC=C(C=C1)/C=C/C=NNC(=O)CNC(=O)C2=CC=CC=C2Cl 1 2.767 3 2 -8.66340997188737 12005097 C=CCSC1=N/C(=C/C2=CSC=C2)/C(=O)N1C3=CC=CC=C3 1 4.264 2 1 -17.2615066457205 12005096 C1CC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC(=O)N5C=CC=CC5=N4)C6=CC=CC=C6 1 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COC1=CC=C(C=C1)N2N=C(C(=NCCC3=CC=CC=C3)N2O)[N+](=O)[O-] 1 2.937 5 4 0 -0.494818798669791 12005084 CC1=CC=C(C=C1)CCNC(=O)CCC2=NC3=CC=CC=C3N2 1 3.42 3 1 -12.4437440462432 12005083 COC1=CC=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)CC5=CC=CC=C5 1 4.036 5 4 0 -0.998211250656945 12005082 CCC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=CC(=C3)C(=O)OC 1 3.934 0 4 -6.16061098351924 12005081 CC[N+](CC)(CC#CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)Cl 1 3.757 1 1 3.19516468158331 12005080 COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=NN2CC3=CC=CC=C3)[N+](=O)[O-] 1 3.428 4 5 0 -16.1507433838822 12005079 COC1=CC(=CC(=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC=C4F)OC 1 2.683 3 5 0 -15.3346690256298 12005078 COC1=CC(=CC(=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=C(C=CC=C4F)F)OC 1 2.889 3 5 0 -13.0884639123203 12005077 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)Cl)CN3C=C(C=N3)Cl 1 4.229 4 2 -10.3771769245042 12005076 C1=CC=C2C(=C1)C=CC=C2NCC(=O)NN=CC3=CC=C(C=C3)OC(=O)/C=C/C4=CC=CO4 1 4.547 3 4 0 -11.2849766688677 12005075 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COC1=CC(=C(C=C1)NC(=O)CSC2=C3CCCCC3=NC4=CC=CC=C42)OC 1 4.682 2 3 -9.16061810523505 12005001 CC(C)C1=C(C(=NO1)C(=O)NCC2=CC=CC=C2)[N+](=O)[O-] 1 2.673 3 4 0 -10.1565284827631 12005000 CC(C)OCCCNC(=O)CCC(=O)NNC1=NC2=CC=CC=C2C3=NC(=NN31)C4=CC=CC=C4 1 2.062 7 3 0 -17.591379692352 12004999 CCCCNC(=O)CNC(=S)N(CC1=CC(=C(C(=C1)OC)OC)OC)C2CCCC2 1 4.518 3 4 0 -19.3922374450586 12004998 COC1=CC(=CC(=C1OC)OC)CN(C2CCCC2)C(=S)NCC(=O)NC3CC3 1 3.679 3 4 0 -16.8041575492376 12004997 CCCNC(=O)CNC(=S)N(CC1=CC(=C(C(=C1)OC)OC)OC)C2CCCC2 1 4.062 3 4 0 -18.686356146247 12004996 CC(C)C1=C(C(=NO1)C(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.879 3 4 0 -8.62983655251827 12004995 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4N=C3Cl 1 4.778 2 4 -6.03464775207604 12004994 C1CCC2=NC3=CC=CC=C3C(=C2C1)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.215 3 3 -4.2251990127563 12004993 CC1=CC(=NN1CC2=C(C=CC(=C2)/C=C/3\CCC(C3=O)C4CCCC4)OC)C 1 5.126 2 2 -11.8644212282503 12004992 CC1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC 1 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CC1=CC=CC=C1CS/C(=C(\C#N)/C(=O)NCC2=CC=CS2)/NC3=CC(=CC=C3)OC 1 5.286 3 2 -28.4001439629972 12004981 COC1=C(C=C(C=C1)/C=C/2\CCC(C2=O)C3CCCC3)CN4C=CC=N4 1 4.698 2 2 -9.38316312850483 12004980 CCC1C/C(=C\C2=CC=CO2)/C(=O)/C(=C\C3=CC=CO3)/C1 1 4.635 0 3 0.301800024999827 12004979 CC(C)(C)C1C/C(=C\C2=CC=CO2)/C(=O)/C(=C\C3=CC=CO3)/C1 1 5.093 0 3 -0.474228292710012 12004978 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=C(C=CS5)NC4=O 1 4.043 4 3 0 -7.93423266862355 12004977 CC1=CC(=NN1CCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)[N+](=O)[O-] 1 2.728 5 3 0 -12.1354985501775 12004976 CC1=CC(=CC(=C1)N2C(S(=O)(=O)/C(=C\C3=CC=CC=C3OC)/C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C 1 4.97 2 6 0 -6.6680691363589 12004975 CC1CCCCN1C(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)[N+](=O)[O-] 1 2.473 4 4 0 -12.8763806060821 12004974 CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)[N+](=O)[O-])C 1 2.735 4 4 0 -13.7268661691207 12004973 CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)[N+](=O)[O-] 1 2.415 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CCN\1C2=CC=CC=C2S/C1=C/3\C(=O)N(C(=S)O3)CC 1 3.851 2 2 -3.7262360900488e-002 12004961 COC1=CC=CC=C1CCNC(=O)/C(=C/C2=CN=CC=C2)/NC(=O)C3=CC=CC=C3 1 2.732 3 3 -24.1060836276752 12004960 COC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O 1 3.576 1 4 -5.9133468257065 12004959 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=C(C=CS5)NC4=O 1 4.529 4 3 0 -7.57303201001451 12004958 C1CCC(C1)NC(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3 1 3.672 4 1 -16.1376562262473 12004957 CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(CC(OC)OC)C(=O)CCl 1 3.173 2 4 -16.3630424832452 12004956 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=CS3)Cl 1 4.085 3 2 -9.76827562677126 12004955 C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)Cl)C(=O)NN=CC3=CC=NC=C3 1 2.981 4 2 -6.20579454469883 12004954 CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC=NC=C3 1 2.803 4 2 -6.99908386320975 12004953 CCCCNC(=O)CCC(=O)NNC1=NC2=CC=CC=C2C3=NC(=NN31)C 1 1.068 7 2 0 -17.14930339664 12004952 COC(CN(C(C1=CC=C(C=C1)Cl)C(=O)NC2CCCCC2)C(=O)CCl)OC 1 3.351 2 4 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CN1C=C(C2=CC=CC=C21)CN(CCCN3CCOCC3)C(=S)NC4=C(C=C(C=C4)Cl)OC 1 5.667 4 2 -7.14366431790776 12004930 CN1C=C(C2=CC=CC=C21)CN(CCCN3CCOCC3)C(=S)NC4=C(C=CC(=C4)Cl)OC 1 5.667 4 2 -4.60521762590138 12004929 CN1C=C(C2=CC=CC=C21)CN(CCCN3CCOCC3)C(=S)NC4=CC=CC=C4OC 1 5.003 4 2 -7.92415598251834 12004928 CN1C=C(C2=CC=CC=C21)CN(CCCN3CCOCC3)C(=S)NC4=CC(=C(C=C4)OC)OC 1 4.987 4 3 0 -10.4240193009761 12004927 CN1C=C(C2=CC=CC=C21)CN(CCCN3CCOCC3)C(=S)NC4=CC(=CC=C4)OC 1 5.003 4 2 -5.24755559292445 12004926 CCOC1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CN(C4=CC=CC=C43)C 1 5.352 4 2 -6.27308991279536 12004925 CN(C1=CC=C(C=C1)OC)C(=O)C2=CC3=C(S2)C4=CC=CC=C4N=C3Cl 1 5.017 2 2 0.540228148716299 12004924 CC1CCCC(N1C(=O)C2=NOC(=C2[N+](=O)[O-])C)C 1 1.838 3 4 0 -8.84739576629305 12004923 COC1=C(C=C(C=C1)NC(=O)CSC2=C3CCCCC3=NC4=C2C=CC(=C4)Cl)OC 1 5.346 2 3 -7.16803182449996 12004922 CCOC1=CC=C(C=C1)N2C(S(=O)(=O)/C(=C/C3=CC=CC=C3OC)/C2=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.33 2 7 0 -8.02956569659931 12004921 C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC=CS3)Cl 1 4.085 3 2 -9.89311660543207 12004920 CCCCC(=O)/C=C/N1C2=CC=CC=C2OC1=S 1 4.375 1 2 2.92464121766937 12004919 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=CO2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.192 3 3 -5.36939132980573 12004918 CCOC1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3=CN(C4=CC=CC=C43)C 1 5.352 4 2 -8.71740673139833 12004917 CC1=CC(=CC(=C1)N2C(=O)C3=NC=CN=C3C2=O)C 1 1.967 3 2 0 -2.3466397185433 12004916 CN(C)CCCNC(=S)N1CCN2C(=NC3=CC=CC=C32)C1 1 2.711 5 0 -8.78284413135662 12004915 CCN(CC)CCNC(=S)N1CCN2C(=NC3=CC=CC=C32)C1 1 3.346 5 0 -8.7863995967671 12004914 CCN(CC)CCCNC(=S)N1CCN2C(=NC3=CC=CC=C32)C1 1 3.409 5 0 -10.3444373721234 12004913 CCOCCCNC(=O)CCC(=O)NNC1=NC2=CC=CC=C2C3=NC(=NN31)C4=CC=CC=C4 1 1.684 7 3 0 -17.841083782893 12004912 COCCCNC(=O)CCC(=O)NNC1=NC2=CC=CC=C2C3=NC(=NN31)C4=CC=CC=C4 1 1.336 7 3 0 -16.3331718441632 12004911 CC(C)CCNC(=O)CCC(=O)NNC1=NC2=CC=CC=C2C3=NC(=NN31)C4=CC=CC=C4 1 2.984 7 2 0 -16.5396175949894 12004910 CC1=NN2C(=N1)C3=CC=CC=C3N=C2NNC(=O)CCC(=O)NCCC(C)C 1 1.32 7 2 0 -18.7047876266895 12004909 CCC(C)NC(=O)CCC(=O)NNC1=NC2=CC=CC=C2C3=NC(=NN31)C 1 0.99 7 2 0 -19.6070444175123 12004908 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CCC3=CC=CS3)C4=CC=C(C=C4)OC 1 3.735 3 5 0 -18.0644153257978 12004907 C1=CC=C(C=C1)CSC2=CC=C(O2)/C=C\3/C(=O)NC(=S)S3 1 4.486 1 2 -0.93973009506227 12004906 CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCC3=CC=CC=C3)[N+](=O)[O-])F 1 4.914 3 3 -6.75933546524524 12004905 CC1=C2C(=CC=C1)OCC3=C2SC(=C3)C(=O)NC4=C(C(=CC=C4)[N+](=O)[O-])C 1 4.981 2 4 -4.94608962205623 12004904 C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)NC4=CC=CC(=C4)C(F)(F)F 1 5.057 1 2 2.04778170230766 12004903 CCCCCCCCNC(=O)C1=C(N=CC=C1)SCC(=O)NC2=C(C=C(C=C2)OC)OC 1 4.725 3 4 0 -24.8263830109828 12004902 COC(CNC(=O)C1=CC(=C(C=C1)N2CCC3=CC=CC=C32)[N+](=O)[O-])OC 1 2.701 3 5 0 -17.1585778606974 12004901 C1=CC=C(C=C1)CCNC2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)F)F)[N+](=O)[O-] 1 4.633 3 3 -8.02559965662125 12004900 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12004890 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCC4=CC=CC=C43)[N+](=O)[O-] 1 4.832 3 3 -13.0293836661677 12004889 CCOC(CNC(=O)C1=CC(=C(C=C1)N2CCC3=CC=CC=C32)[N+](=O)[O-])OCC 1 3.398 3 5 0 -14.7810760774432 12004888 CCC(C)NC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)OCCO3)[N+](=O)[O-] 1 2.409 3 5 0 -18.4145521578272 12004887 CCCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)OCCO3)[N+](=O)[O-] 1 2.488 3 5 0 -15.5127763387261 12004886 COCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)OCCO3)[N+](=O)[O-] 1 1.028 3 6 0 -16.2282026420958 12004885 CCCCCCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)OCCO3)[N+](=O)[O-] 1 3.856 3 5 0 -15.766217099497 12004884 CCCCCCCCNC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC=CC=C2OC 1 4.741 3 3 -23.8868136808818 12004883 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C4=CC=CC=C4Cl)[N+](=O)[O-] 1 4.446 3 5 0 -9.56577673880434 12004882 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C4=CC(=CC=C4)Cl)[N+](=O)[O-] 1 4.446 3 5 0 -9.62410105703618 12004881 CCOC(=O)C1=C(SC2=C1CCCCC2)N3C(=O)NC4=CC=CC=C4N3O 1 3.826 3 4 0 -13.4225028018303 12004880 CC1=C(C(=NN1)C)CCC(=O)NN=C/C=C/C2=CC=CC=C2 1 2.406 4 1 -4.61308471697821 12004879 CCC1=NN=C(N1N)NN=CC2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-] 1 2.378 8 2 0 -10.6281653737913 12004878 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)Br)CN3C=C(C=N3)Cl 1 4.313 4 2 -10.4297633456641 12004877 CC(C)C1=C(C(=NO1)C(=O)N(C)CC2=CC=CC=C2)[N+](=O)[O-] 1 2.879 3 4 0 -6.54020396806487 12004876 C1=CC(=CC=C1F)S(=O)(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O 1 3.66 0 4 -5.52415529706522 12004875 CC1=C(C=C(C=C1)C(=O)ON2C(=NC3=CC=CC=C3C2=O)C4=CC(=CC(=C4)OC)OC)C 1 4.933 2 5 0 -2.51808226345981 12004874 CC1=C(C=C(C=C1)NC(=O)CO/N=C(/C2=NON=C2N)\N)C 1 0.572 6 3 0 -10.2638628278322 12004873 COC1=CC(=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2OC(=O)C4=CC=C(C=C4)Br)OC 1 4.709 2 5 0 -1.30099264503759 12004872 C1CCN2C(=NC3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C1 1 2.425 4 4 0 -16.191451288002 12004871 C1CCN2C(=NC3=C(C2=O)C=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])F)C1 1 2.631 4 4 0 -12.550905551207 12004870 CC1=C(C=C(N1CCCOC)C2=CC=C(C=C2)OC)C(=O)NC3CCCCCCC3 1 4.978 2 3 -9.66585995906215 12004869 COC1=C(C=C(C=C1)CCNC(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3)OC 1 3.756 2 4 -17.703383654863 12004868 CCOC1=C(C=C(C=C1)CCNC(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3)OCC 1 4.454 2 4 -18.9646929863344 12004867 CC1=CC=CC=C1C(=O)C2=CC=CN2CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 4.243 2 4 -19.2756183740731 12004866 CCOC1=C(C=C(C=C1)CCNC(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3C)OCC 1 4.94 2 4 -20.5369277055445 12004865 CCN(CC)C1=CC(=C(C=C1)NC(=O)CN2C(=O)C3=C(N(C(=C3C=N2)C)CC4=CC=CC=C4F)C)C 1 4.421 5 2 0 -18.5152752410344 12004864 COC1=CC=C(C=C1)C(CC(=O)NC2=CC=CC=C2OC)N3C=CC=C3 1 3.593 2 3 -9.25570420208164 12004863 CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3F)NC(=O)NC4=CC(=CC=C4)OC 1 4.707 4 4 0 -6.56124611398961 12004862 CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)[N+](=O)[O-] 1 2.348 4 4 0 -12.9191616037583 12004861 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)Cl 1 4.725 2 2 -5.14192524408923 12004860 CC1=NN2C(=N1)C3=CC=CC=C3N=C2NNC(=O)CCC(=O)NC(C)C 1 0.466 7 2 0 -18.7474022270353 12004859 CC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CC(OC)OC)C(=O)CCl 1 3.173 2 4 -15.0134409051377 12004858 COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=C3CCCC3=NC4=CC=CC=C42 1 4.209 2 4 -9.30415588042478 12004857 CC1=CC(=CC(=C1)OCCN2C=CC=C2/C=C\3/C(=N)N4C(=NC3=O)C=C(O4)C)C 1 3.779 4 3 0 -8.18157302738808 12004856 CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)C 1 4.307 4 3 0 -6.408754785387 12004855 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CSC3=C(SC=C3)[N+](=O)[O-] 1 3.811 3 3 -13.2729590470019 12004854 C1CCC2=C(C1)C(=CS2)C(=O)NCC3=CN=CC=C3 1 2.516 2 1 -11.1569422502816 12004853 COC(=O)C1=CC2=C(N1CC3=CC=CC=C3F)SC=C2 1 3.805 1 2 -6.59099414387817 12004852 COC(=O)C1=CC2=C(N1CC3=CC(=CC=C3)F)SC=C2 1 3.805 1 2 -3.68978736299652 12004851 C1=CSC(=C1)NC(=O)NC2=C(C=C(C=C2Br)F)F 1 3.468 2 1 -2.95018130279313 12004850 C1C(=O)N(C(=O)C2=CC3=C(N21)C=CS3)C4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)F 1 4.031 3 3 -8.28391950556257 12004849 CC1=CC=CC=C1NC(=O)CSC2=C(SC=C2)[N+](=O)[O-] 1 3.175 2 3 -12.6526714441942 12004848 CCCCOC1=CC=C(C=C1)C2=NNC(=O)CC2 1 2.361 2 2 -10.1382672434736 12004847 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC(=C(C(=C3)OC)OC)OC 1 3.18 3 5 0 -11.2635858248074 12004846 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)/C=C/C3=CC=C(C=C3)Br 1 3.084 3 2 -6.85257643219007 12004845 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CC4=CC=C(C=C4)Cl 1 4.718 3 2 -7.48693062678581e-002 12004844 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)NC(=O)C4=C(N=CC=C4)Cl 1 3.92 4 2 -2.30069184025799 12004843 CC1CCCC(C1C)NC(=O)C(C2=CC=C(C=C2)C)N(CC(OC)OC)C(=O)CCl 1 3.744 2 4 -15.1062929673807 12004842 CCN(CC)C(=O)CNC(=S)N(CCCN1CCOCC1)CC2=CC=CS2 1 2.369 4 2 -14.8953944263886 12004841 COC1=CC(=CC(=C1OC)OC)CN(C2CCCC2)C(=S)NCC(=O)NC3CCCC3 1 4.591 3 4 0 -16.1908928191676 12004840 COCCCNC(=O)CNC(=S)N(CC1=CC(=C(C(=C1)OC)OC)OC)C2CCCC2 1 3.121 3 5 0 -20.5725030753725 12004839 CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)F)NC(=O)NC4=CC(=CC=C4)OC 1 4.707 4 4 0 -5.60152630511512 12004838 CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3F)NC(=O)NC4=CC=CC=C4 1 4.724 4 3 0 -6.66386325280752 12004837 CC1=CC=CC=C1N/C(=C(/C#N)\C(=O)N)/SCC2=CC=C(C=C2)Cl 1 4.437 3 1 -19.5947385876691 12004836 CC1=CC=CC=C1N/C(=C(/C#N)\C(=O)N)/SCC2=CC(=CC=C2)Br 1 4.521 3 1 -21.6266638018235 12004835 COC1=CC=CC(=C1)N/C(=C(/C#N)\C(=O)NCC2=CC=CS2)/SCC3=CC(=CC=C3)[N+](=O)[O-] 1 4.694 4 4 0 -30.9224558075093 12004834 COC1=CC=CC(=C1)N/C(=C(/C#N)\C(=O)NCC2=CC=CS2)/SCC3=CC=CC=C3F 1 5.005 3 2 -27.5940005803007 12004833 COC1=CC=CC(=C1)N/C(=C(/C#N)\C(=O)NCC2=CC=CS2)/SCC3=CC=CC=C3Cl 1 5.464 3 2 -27.3752182786393 12004832 C1CCCN(CC1)C(=O)CC2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)Cl 1 5.399 2 1 -8.03277176791173 12004831 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=C(C=CS5)NC4=O 1 4.242 4 3 0 -15.8706645483916 12004830 CCOC1=C(C=C(C=C1)C=NNC(=O)C(C)SC2=CC=CC=N2)OCC 1 3.614 3 3 -13.3106580965351 12004829 CC1=C(C(=NN1CCCC(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-])Br 1 3.271 5 3 0 -9.6957519838877 12004828 COC1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=C(C(=N3)OC)[N+](=O)[O-])C(F)(F)F 1 4.517 5 4 0 3.40715587673598 12004827 CC1=CC2=NC(=C(N2C=C1)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=N5 1 4.138 4 2 -3.57886516887615 12004826 CC1=C(C(=CC=C1)C)NC(=O)C(C)(C2=CC=CC=N2)N(C3=CC=C(C=C3)OC)C(=O)CCl 1 4.589 3 3 -8.32025883239935 12004825 CCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=N2)N(C3=CC=C(C=C3)F)C(=O)CCl 1 3.859 3 3 -10.7082877840281 12004824 C1=CC(=CC(=C1)F)CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)F)SC=C3 1 4.501 2 2 -4.20657450062928 12004823 C1=CC(=CC=C1CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)F)SC=C3)F 1 4.501 2 2 -5.56300149326406 12004822 C1=CC=C(C=C1)C(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)F)SC=C3 1 3.967 2 3 -10.082686473466 12004821 COCCCNC(=O)CN1C2=C(C(=O)N(C1=O)CCCCCC(=O)NC3=CC=CC=C3)SC=C2 1 2.039 4 5 0 -24.0204325507918 12004820 CCC(C)NC(=O)CN1C2=C(C(=O)N(C1=O)CCCCCC(=O)NC3=CC=CC=C3)SC=C2 1 3.357 4 4 0 -23.6280379063966 12004819 C1=CC=C(C=C1)CCNC(=O)CN2C(=O)C3=C(C=CS3)N(C2=O)CC4=CC=C(C=C4)[N+](=O)[O-] 1 3.372 4 5 0 -16.577277189937 12004818 CC1=CC=CC=C1NC(=O)CN2C3=C(C(=C(S3)C)C)C(=O)N(C2=O)CC4=CC=CC=C4 1 4.1 3 3 -12.7402740580659 12004817 COC1=C(C=C(C=C1)CCNC(=O)CCCCCNC2=NC(=S)NC3=CC=CC=C32)OC 1 4.61 4 3 0 -20.9263008173266 12004816 CC1=C(C(=NN1CCCC(=O)NC2=CC(=CC(=C2)OC3=CC=CC=C3)[N+](=O)[O-])C)[N+](=O)[O-] 1 3.462 5 6 0 -12.6635733819384 12004815 CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC5=C(C=C4)OCO5 1 4.998 2 3 -6.68133801468828 12004814 CC1=C(C(=NN1CCCC(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)F)[N+](=O)[O-])C)[N+](=O)[O-] 1 3.668 5 6 0 -11.4634623445044 12004813 CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 4.435 5 6 0 -12.8906147811086 12004812 CC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 3.949 5 6 0 -13.0268807720336 12004811 CC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 3.949 5 6 0 -12.3636359643034 12004810 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 2.669 6 3 0 -15.5123112357765 12004809 CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 3.334 6 3 0 -12.8754976404101 12004808 CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C)C 1 3.155 6 3 0 -14.8857929253307 12004807 C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCCCCC(=O)NCCC4=CC=CC=C4 1 4.438 4 3 0 -16.2161489454424 12004806 C1=CC=C2C(=C1)C=CC3=C2C(=O)/C(=C\C4=CC=CS4)/S3 1 4.556 0 1 1.1656631488929 12004805 CC1=CC(=NN1CC2=C(C=CC(=C2)C=NNC(=O)COC3=C(C=C(C=C3)Cl)Cl)OC)C 1 4.492 4 3 0 -13.3981745604195 12004804 COC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2OC)/C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])OC 1 3.416 3 7 0 -21.1830343916789 12004803 CC1=CC=C(C=C1)CNC(=O)CC2=CC=C(C=C2)N3C(=O)C4=C(C=CS4)NC3=O 1 3.613 3 3 -15.098443394235 12004802 CCOC(=O)NN=C(C)/C=C/C1=CC=CO1 1 1.844 2 3 0 -5.33828112687189 12004801 CC1=CC(=CC=C1)CCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.691 3 3 0 -16.9120419223896 12004800 CN(C1CCCCC1)C(=O)C2C3CCCCN3C(=O)C4=CC(=C(C=C24)OC)OC 1 3.194 2 4 -10.6408296965203 12004799 C1=CC=C(C=C1)/C=C/C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.895 4 4 0 -5.39986849729995 12004798 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=C(N=CC=C4)Cl 1 3.239 4 3 0 -2.06778683500285 12004797 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-] 1 4.381 4 4 0 -1.65280556105377 12004796 CC1=CC(=CC=C1)NC(=S)NCC23C=CC(O2)C4C3C(=O)N(C4=O)C5=CC=C(C=C5)Cl 1 4.181 3 3 13.4736932941817 12004795 CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CCCC(=O)NC4=CC=C(C=C4)OC)SC=C3 1 4.189 3 4 0 -12.4132003937403 12004794 CC1=CC(=C(C=C1)CN2C3=C(C(=O)N(C2=O)CCCC(=O)NC4=CC=C(C=C4)OC)SC=C3)C 1 4.675 3 4 0 -12.4396616095273 12004793 CC1=CC=CC=C1CN2C3=C(C(=O)N(C2=O)CCCC(=O)NC4=CC=C(C=C4)OC)SC=C3 1 4.189 3 4 0 -14.0342831260452 12004792 CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3C(=C2C4=CC=CO4)C(=C(S3)C(=O)NC5CCCC5)N)C)C 1 4.848 4 3 0 -10.2389861396409 12004791 C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN=C/C=C\C3=CC=CO3 1 3.973 4 2 -13.2192632429829 12004790 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 5.052 3 4 0 -9.80562371841006 12004789 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3 1 4.495 2 4 -4.0762286776744 12004788 C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC=NC=C3)Cl 1 2.981 4 2 -8.63708273022204 12004787 CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Cl)C)C 1 4.076 6 3 0 -15.4885893052625 12004786 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3F)C)CC(=O)NC4=CC=CC(=C4)C(F)(F)F 1 4.017 4 2 -7.40534058636012 12004785 CCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=N2)N(C3=CC=C(C=C3)OCC)C(=O)CCl 1 3.986 3 4 0 -12.2464837517109 12004784 CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Cl)C 1 4.255 6 3 0 -14.2944230218603 12004783 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Cl)C 1 3.59 6 3 0 -16.1151076157083 12004782 CC1=C(C(=NN1CCCC(=O)NC2=CC(=CC(=C2)OC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-])Cl 1 4.383 5 6 0 -12.7435519662893 12004781 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCN2C(=CC(=N2)[N+](=O)[O-])C 1 3.237 4 7 0 -28.8781600707346 12004780 CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CCCN2C(=CC(=N2)[N+](=O)[O-])C 1 3.412 4 7 0 -28.5617437474517 12004779 CC1=CC(=NN1CCCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-] 1 2.271 4 3 0 -21.9185858162255 12004778 CC1=CC(=NN1CCCC(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-] 1 2.649 4 3 0 -22.9662608440083 12004777 CC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCCN3C(=CC(=N3)[N+](=O)[O-])C 1 4.205 5 6 0 -16.7310345008526 12004776 CC1=CC(=NN1CCCC(=O)NC2=CC(=CC(=C2)OC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.719 5 6 0 -17.0309719184876 12004775 CC1=C(C(=NN1CCCC(=O)NCC2=CC=C(C=C2)Cl)C)[N+](=O)[O-] 1 2.679 4 3 0 -15.0542115885315 12004774 CC1=C(C(=NN1CC2=C(C=CC=C2Cl)Cl)C)NC(=O)CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 3.998 6 3 0 -14.8805317145899 12004773 C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NCCC3=CC=C(C=C3)Cl 1 1.869 3 3 0 -16.2517503745202 12004772 CC1=C(C(=NN1CCCC(=O)NC2=C(C(=CC=C2)Cl)Cl)[N+](=O)[O-])Cl 1 4.257 4 3 0 -13.1823731686877 12004771 CC1=CC(=CC=C1)NC(=S)N(CCCN2CCOCC2)CC3=CN(C4=CC=CC=C43)C 1 5.506 4 1 -3.30364922513884 12004770 COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC=CC=C3Cl)C(=O)CCl 1 4.973 2 3 -13.3538975077576 12004769 CCOCCCNC(=O)C1C2CCCCN2C(=O)C3=CC(=C(C=C13)OC)OC 1 1.41 2 5 0 -17.323038779996 12004768 CC1=C(C(=NN1CC2=C(C=CC=C2Cl)Cl)C)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Cl)C 1 4.919 6 3 0 -16.2994570960402 12004767 CC(C)/C=C/1\CC/C(=C\C2=CC=C(C=C2)N(C)C)/C1=O 1 4.519 1 1 -2.14198102044104 12004766 CN1C2/C(=C\C3=CC=CC=C3F)/C(=O)/C(=C/C4=CC=CC=C4F)/C1CC2 1 4.837 1 1 2.94952081952322 12004765 CC1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C 1 3.548 3 3 -18.6946553979297 12004764 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CC=C3Cl)C4=C(OC5=CC=CC=C5C4=O)O 1 5.059 2 4 -9.80499349132401 12004763 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC)C4=C(OC5=CC=CC=C5C4=O)O 1 4.378 2 5 0 -10.5058278742385 12004762 CC(C)CCNC(=O)C1C2CCCCN2C(=O)C3=CC(=C(C=C13)OC)OC 1 2.71 2 4 -16.0926155407274 12004761 CC1=C(C(=NN1CCCC(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-])Cl 1 3.593 4 3 0 -9.84087229203201 12004760 CC1=C(C(=NN1CCCC(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-])Cl 1 3.313 4 3 0 -18.8186787960315 12004759 CC1=CC=C(C=C1)CN2C(=O)C3=C(N=CC=C3)N(C2=O)CC(=O)NC4=CC=CC(=C4)C(F)(F)F 1 4.013 4 3 0 -2.8063488367797 12004758 CC1(C2C1CC(C(C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])(C)OC)C 1 3.112 2 7 0 -7.6700853944519 12004757 CC1=CC(=CC=C1)CN2C3=C(C(=O)N(C2=O)CCCC(=O)NC4=CC=C(C=C4)OC)SC=C3 1 4.189 3 4 0 -11.5830221357814 12004756 CC(=NNC(=O)OC)/C=C/C1=CC=CO1 1 1.496 2 3 0 -5.29703337247405 12004755 CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C\3/C(=N)N4C(=NC3=O)C=C(O4)C 1 2.75 4 2 -8.53064639179592 12004754 CCSC1=N/C(=C/C2=CSC=C2)/C(=O)N1C3=CC=CC=C3 1 3.996 2 1 -14.9511901407299 12004753 CCOC(=O)CSC1=N/C(=C\C2=CN=CC=C2)/C(=O)N1C3=CC=C(C=C3)OC 1 2.874 3 4 0 -21.9622863086381 12004752 COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CN=CC=C3)/N=C2SCC=C 1 3.435 3 2 -16.6164619737823 12004751 CCSC1=N/C(=C\C2=CN=CC=C2)/C(=O)N1C3=CC=CC=C3 1 3.183 3 1 -14.2518766813147 12004750 CC1=CC(=CC=C1)N2C(=O)C3=C(N(C2=O)CC(=O)NC4=CC(=CC(=C4)OC)OC)SC(=C3C)C 1 4.061 3 5 0 -12.2467683708056 12004749 CCOC(=O)C1=CC=CC=C1NC(=O)CN2C3=C(C(=C(S3)C)C)C(=O)N(C2=O)CC4=CC=CC=C4 1 3.818 3 5 0 -17.5501499003005 12004748 COC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2OC)/C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])OC 1 3.416 3 7 0 -21.3818884695131 12004747 CCOC(=O)NN=C/C=C/C1=CC2=C(C=C1)OCO2 1 2.139 2 4 -2.79616019621943 12004746 C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=CC=C5Cl)Cl 1 3.895 3 1 -4.22047332249646 12004745 CC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O 1 3.914 1 4 -5.12791083259339 12004744 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3.Cl Cl- 1 4.161 2 1 -3.31870463155273 12004743 CCOC(=O)C1=C(N=C2N(C1/C=C/C3=CC=CC=C3)C(=O)C(=CC4=CC=C(C=C4)OC(=O)C)S2)C 1 4.688 2 5 0 -21.593248912564 12004742 CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)OC)CCO)/C=C\3/N(C4=C(S3)C=CC(=C4)OC)CCO.[Cl-] Cl- 1 5.666 2 4 9.27515910298739 12004740 CN1C=C(C=CC1=O)C(=O)NN=C/C=C/C2=CC=CC=C2OC 1 1.039 3 3 0 -4.39914923368573 12004739 CCN1C2=C(C=CC(=C2)Cl)[N+](=C1/C=C/N(C3=CC=CC=C3)C(=O)C)CC.[I-] I- 1 4.601 3 1 14.3745675819735 12004738 CC1=CC=C(C=C1)CCCOC(=O)C[N+]2(CCCC2)C.[I-] I- 1 1.98 1 2 0 -4.66713134982668 12004737 C1C/C(=C\NC2=CC(=CC=C2)[N+](=O)[O-])/C(=O)C3=CC=CC=C31 1 3.498 2 3 -1.67825168504237 12004735 C[N+]1(CCCC1)C2CCC3CCCC2C3O.[I-] I- 1 0.776 1 1 0 -3.08952277143721 12004734 CCCC(=NNC(=O)CNC(=O)/C=C/C1=CC=CO1)C2=CC=CC=C2 1 2.709 3 3 -15.694328165288 12004732 CC(=NNC1=NC(=O)CC(S1)C(=O)NC2=CC=CC=C2)/C=C/C3=CC=C(C=C3)N(C)C 1 3.572 5 2 0 -8.72418588737708 12004731 CC1=CC=[N+](C=C1)CC(=O)C2=CC3=CC=CC=C3OC2=O.[Br-] Br- 1 3.197 1 3 -7.38484857649453 12004730 CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3.[Cl-] Cl- 1 5.122 1 2 -0.506204345985145 12004729 C1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)Cl.Cl Cl- 1 3.987 3 2 -8.66319934529541 12004728 CC1=CC=C(C=C1)C(C)(CC=C)NCC2=CC=CC=C2.Cl Cl- 1 4.609 1 0 -5.01267536676355 12004727 CC1=CC(=CC2=C1C(CC3(O2)CC(NC(=N3)SC)(C)C)C4=CC=C(C=C4)OC)O.I I- 1 5.086 2 3 -1.29168476048741 12004725 CC(=NNC1=NC(=O)CC(S1)C(=O)NC2=CC=C(C=C2)Cl)/C=C/C3=CC=C(C=C3)N(C)C 1 4.236 5 2 0 -6.74553305841691 12004724 CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=C(C=C3)C=C(C=C4)C)CC.[I-] I- 1 6.76 2 0 19.4556638634554 12004722 C[N+]1(CCCC1)C2CCC3CCC2C3O.[I-] I- 1 0.32 1 1 0 -3.49937322936715 12004721 CCC(=O)NC1=NN=C(S1)SCCN2CCOCC2.Cl Cl- 1 1.001 4 2 0 -16.1857366278354 12004720 COC1=CC=CC=C1/C=C/C(=O)OCCN2CCOCC2.Cl Cl- 1 1.963 1 4 0 -5.28526888811573 12004719 CC1CC2=CC=CC=C2N1C(C3=CC=C(C=C3)C)C4=NN=NN4C5CCCC5.Cl Cl- 1 5.138 5 0 -19.449952092591 12004718 CCOC1=CC=C(C=C1)NC(=O)C[N+]2=CC=C(C=C2)N(C)C.[Cl-] Cl- 1 2.565 3 2 -8.86137473175414 12004716 C1=CC=C2C(=C1)C=CC=C2C[N+]3=CC=CC(=C3)C(=O)N.[Br-] Br- 1 2.928 2 1 -0.993512672606352 12004714 C1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-] Br- 1 3.697 3 3 -2.00613055055825 12004713 CC\1=NN(C(=O)/C1=C/NN2C(=O)C3=C4C(=CC=C5C4=C(CC5)C=C3)C2=O)C6=CC=CC=C6 1 2.616 4 3 0 -2.87267825911834 12004712 C1=CC=C(C=C1)C\2=NC(=N)S/C2=N\NC3=CC=CC=C3Cl.Br Br- 1 5.158 4 0 -0.580166517178343 12004711 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 1.949 3 4 0 -12.2889291890992 12004710 C1CC[N+](C1)(CC#CC2=CC=CC=C2)CC#CC3=CC=CC=C3.[Br-] Br- 1 3.774 1 0 -2.53036093188262e-002 12004709 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3.Cl Cl- 1 3.008 2 3 -4.10582674234351 12004708 CC1=C(SC=N1)CCOC(=O)C2=CC(=CC=C2)[N+](=O)[O-].Cl Cl- 1 2.227 2 4 -15.5471949513613 12004707 C1CCC2C(C1)C(CCN2CC3=CC=CC=C3)(C4=CC=CC=C4)O.Cl Cl- 1 4.21 1 1 5.50710779889378 12004706 CCOC(=O)C1=C(N=C2N(C1/C=C/C3=CC=CC=C3)C(=O)C(=CC4=CC(=C(C=C4)OC(=O)C)OC)S2)C 1 4.671 2 6 0 -23.892733328519 12004705 COC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC(=NC(=N4)OC)OC.Br Br- 1 3.946 5 5 0 -6.49007420948824 12004704 C[N+]1(CCCCC1)CCCCCCCCCCC(=O)OC.[I-] I- 1 3.352 1 2 -13.680925630172 12004703 CC\1=NN(C(=O)/C1=C/NC23CN4CN(C2)CN(C3)C4)C5=CC=C(C=C5)Cl 1 0.889 6 1 0 -4.08569452896231 12004702 CC[N+]1=C(SC2=C1C=CC(=C2)OC)/C=C/C=C/N(C3=CC=CC=C3)C(=O)C.[I-] I- 1 4.402 2 2 14.0244391110592 12004701 CCOC1=C/C(=C/2\C3=C(C4=CC=CC=C4CC3)NC(=C2C#N)N)/C=CC1=O 1 2.327 3 2 -6.70293363482232 12004700 C1=CC=C(C=C1)C2=CC(=NC3=C2C4=CC=CC=C4C=C3)C5=CC=NC=C5.Cl Cl- 1 5.239 2 0 3.50574325183031 12004699 CC1=NC(=C(C=C1)O)CCC2=CC=CC=C2.Cl Cl- 1 3.157 1 1 1.34586897832917 12004698 CC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=C(C=C(C=C4Cl)Cl)Cl 1 3.173 4 4 0 -18.0584876656098 12004697 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)C4=CC=CC=C4)OC.Br Br- 1 3.962 5 4 0 -6.72039726556874 12004696 CC1(C2=CC=CC=C2[N+](=C1/C=C/NC3=CC=CC=C3Cl)C)C.[I-] I- 1 4.721 2 0 5.81637828576349 12004695 CC1=NC(=CC=C1)CNCCC2=CC=CC=C2.Cl Cl- 1 2.619 2 0 0.111895905681678 12004694 CC1CC(=NOC(=O)C2=CC=CC=C2)C(CN1C)C.Cl Cl- 1 2.479 2 2 -1.37185024382749 12004692 CCOC1=C(C=C(C=C1)Br)CSC(=N)N.Cl Cl- 1 3.088 2 1 -3.26040885300509 12004691 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOC(=O)CC34CC5CC(C3)CC(C5)C4.Cl.[Cl-] Cl- Cl- 1 4.017 4 2 -2.04501730410958 12004690 COC1=C(C=C(C=C1)C2CC(=NN2C3=NC(=CS3)C4=CC=C(C=C4)F)C5=CC=CS5)OC.Br Br- 1 5.614 3 2 -0.133386844901954 12004689 C1=CC=[N+](C=C1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl.[Cl-] Cl- 1 3.677 2 1 -2.72191760111055 12004688 CC\1=NN(C(=O)/C1=C/NC2=NN=C(S2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 2.967 5 1 -3.18007568058067 12004687 C[N+](C)(CC#CC1=CC=CC=C1)CC(=O)OC.[Br-] Br- 1 0.846 1 2 0 -4.05526411501736 12004686 CC(C)OC1=CC=C(C=C1)C2(CC[N+](CC2)(C)C)C#N.[Br-] Br- 1 1.475 2 1 0 -5.37149460413988 12004685 CC1=C[N+](=CC=C1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.757 2 1 4.14144641421583 12004684 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C/C=C\C4=CC=CC=C4[N+](=O)[O-] 1 5.071 4 3 0 -2.48348611662605 12004682 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)NN/C=C/3\C=CC(=O)C(=C3O)C 1 0.533 4 3 0 -8.16693591883694 12004681 COC1=CC(=C(C=C1)/C=C(\C(=O)NN=CC2=CC=NC=C2)/NC(=O)C3=CC=CC=C3)OC 1 2.456 4 4 0 -16.3303908127698 12004680 CC1=C(C=C(C=C1)NC(=O)C(C)[N+]2=CC=CC=C2)[N+](=O)[O-].[Br-] Br- 1 2.935 3 3 -8.23840627528364 12004679 CC[N+](CC)(CC)C/C=C/CN1CCCCC1.Br.[Br-] Br- Br- 1 1.535 2 0 0 2.8425546947089 12004678 CC[N+]1=CC=C(C2=CC=CC=C21)C[N+]3=CC=CC=C3.[I-] I- 1 4.171 2 0 5.52904159601361 12004677 CC1CCN(CC1)CC2=NN=NN2C3=CC(=CC=C3)[N+](=O)[O-].Br Br- 1 2.047 6 2 0 -11.4797620285896 12004676 C[N+](C)(CC#CC1=CC=CC=C1)CC(=O)C2=CC=CC=C2.[Br-] Br- 1 2.395 1 1 -1.89309308711608 12004675 CCN1/C(=C/C2=CC=[N+](C=C2)C)/C=CC3=C1C=CC(=C3)C.[I-] I- 1 4.336 2 0 8.60923646420256 12004674 CCOC1=CC=C(C=C1)CSC(=N)N.Cl Cl- 1 2.339 2 1 -3.39941315295997 12004673 CC1=CC(=C(C(=C1)C)NC(=O)C2=C[N+](=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-])C.[Br-] Br- 1 5.155 3 3 -1.90224833293607 12004672 C[N+]1(CCCC1)CC2COC3(O2)CCCCC3.[I-] I- 1 0.502 1 2 0 0.286324233645335 12004671 COC1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)N3CCCCC3.Cl Cl- 1 4.082 2 3 -6.67028237311602 12004670 CC1=CC=C(C=C1)OCC(=O)NN=C(C)/C=C/C2=CC3=C(C=C2)OCO3 1 3.211 2 4 -5.11814796976338 12004669 CC1=CC=C(C=C1)S(=O)(=O)N(C)N=C/C=C/C2=CC=CC=C2 1 3.438 2 2 2.12826308376786 12004668 CC1=CC=CC=C1NC(=O)CCC(=O)NN=C(C)/C=C/C2=CC=CC=C2 1 2.944 3 2 -10.1315398247983 12004667 COC1=CC=C(C=C1)C\2=NN(C(=O)/C2=C/NCC3=CC=NC=C3)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.506 5 4 0 -7.95335094871221 12004666 CCOC(=O)NN=C/C=C/C1=CC=CC=C1 1 2.371 2 2 -1.30133039139104 12004665 CC(C)COC1=CC=C(C=C1)C2=NN3C(=O)C(=C/C=C/C4=CC=CC=C4OC)SC3=N2 1 5.493 3 3 -2.42169527419786 12004664 CN(C)CCCNCC1=CC=C(C=C1)SC.Cl Cl- 1 2.11 2 0 3.7118618204231 12004663 CC1=C(C=CC=C1Cl)N/C(=C\2/C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C)/C 1 3.934 4 3 0 -4.36540856687093 12004662 CC1=CC(=CC=C1)OCC(=O)NN=C/C=C/C2=CC=CO2 1 2.76 2 3 -0.857352486499594 12004661 C1=CC=C(C=C1)/C=C/C=NNC(=O)CCC(=O)NC2=CC=CC=C2 1 2.379 3 2 -4.57236240874573 12004660 CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2)N=CN(C)C 1 1.173 4 2 0 -4.55407030793297 12004659 CN(C)C=NC1=CC(=O)NC(=O)N1CC2=CC=CC=C2 1 0.967 4 2 0 -5.56056818946838 12004658 CN1C(=CC(=O)N(C1=O)CC2=CC=CC=C2)N=CN(C)C 1 1.173 4 2 0 -2.93493142878173 12004657 CN(C)C=NC1=CC(=O)NC(=O)N1CC2CC2 1 0.203 4 2 0 -7.01886713226249 12004656 CN1C(=CC(=O)NC1=O)N=CN(C)C 1 -0.617 4 2 0 -5.62811321475651 12004655 CN1C(=O)C=C(N(C1=O)CC2CC2)N=CN(C)C 1 0.409 4 2 0 -6.01236925072708 12004654 CC12[C@H]3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)CC6=CN=CC=C6 1 2.862 2 2 -8.72520253408175 12004653 COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)N4C(=O)COCC4=O)[N+](=O)[O-] 1 2.032 4 6 0 -2.64795561343283 12004652 CC(=O)[C@H]1[C@@H](C2(C3N1N=CC4=CC=CC=C34)C(=O)OC(OC2=O)(C)C)C5=CC=C(C=C5)OC 1 2.108 2 6 0 -5.34987311536549 12004651 C1CN(CCN1CC2=CC=C(C=C2)Cl)CC(=O)NN=C/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 3.485 5 3 0 2.94924698760065 12004649 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3=NN[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=CC(=C5)C(F)(F)F 1 4.183 3 3 -4.31557852194571 12004648 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3=NN[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=C(C=C5)C#N 1 3.12 4 3 0 -11.9800800947557 12004647 CN1C2=CC=CC=C2N=C1SCC(=O)NN=C/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 3.594 5 3 0 -6.7489942451902 12004646 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F)/C=C(/C#N)\C(=O)NCCCN5C=CN=C5 1 5.095 6 2 0 1.96087192365442 12004645 C1C2C=CC1C3[C@@H]2C(=O)N(C3=O)NC(=O)C4=CN=CC=C4 1 -0.207 3 3 0 -6.26079400673827 12004644 C1=CC=C(C=C1)C(=O)NN2C(=O)[C@@H]3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46 1 3.056 2 3 -11.089164276121 12004643 CCCSC1=CN2C=C(N=C2C=C1)C3=CC=CC=C3.Br Br- 1 3.931 2 0 -0.19524072963664 12004642 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)S/C(=N/N=CC3=CC=CS3)/N 1 3.256 4 3 0 -0.408808724751933 12004640 C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)[C@@H]3[C@H]4[C@@H]([C@@H]5N3C6=CC=CC=C6C=C5)C(=O)N(C4=O)C7=CC=CC=C7F 1 5.935 2 4 -4.98954203381075 12004639 C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)[C@@H]3[C@H]4[C@@H]([C@@H]5N3C6=CC=CC=C6C=C5)C(=O)N(C4=O)C7=CC(=CC=C7)F 1 5.935 2 4 -3.85306184330777 12004638 CC[N+]12CCC(CC1)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2.[Br-] Br- 1 3.175 1 0 -0.942102365844375 12004637 COC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4C[C@@H]([C@H]3C2=O)C(C4Br)Br 1 2.379 1 6 0 -16.2805799247719 12004636 CC(C)CC(C(=O)O)N1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]2C1=O)C(C3Br)Br 1 2.381 1 4 -12.4698562530746 12004635 CC1=CC=C(C=C1)C\2=NN=C/C2=C\NN3C(=NC4=CC=CC=C4C3=O)COC5=CC=CC=C5 1 3.861 5 2 0 -5.16549074479787 12004633 CC(=O)[C@@H]1[C@H]([C@]2([C@@H]3N1C4=C(C=C3)C=C(C=C4)F)C5=CC=CC=C5NC2=O)C(=O)C6=CC=CC=C6 1 3.813 2 3 -6.05528645483778 12004632 CC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)Cl 1 4.011 4 3 0 -14.2569890590379 12004631 CC(C)C1=C2[C@H]([C@@H]3C4[C@](C[C@H]([C@H]([C@@]4(C2=CC(=O)O1)C)O)O)(C(=O)O3)C)O 1 0.479 0 7 0 -7.39112665047099 12004630 C[N+]1(CCCC1)CC(=O)OCCCC2=CC=CC=C2.[I-] I- 1 1.494 1 2 0 -5.48194625460628 12004629 C1COC2=C(O1)C=CC(=C2)N3/C(=C\4/C=CC(=O)C=C4O)/NNC3=S 1 2.439 3 4 0 -3.58562762650781 12004628 COC1=CC=C(C=C1)N2C(=O)[C@@H]3C(C2=O)C4(C(=C(C3(C4(OC)OC)Cl)Cl)Cl)Cl 1 2.655 1 5 1.70637325130429 12004627 CCC(C)N1C(=O)/C(=C/NNC2=CC=CC=C2)/C(=O)NC1=S 1 2.233 4 2 -5.57608625474149e-003 12004626 CCC(C)[C@@H](C(=O)OC)NC(=O)N1CCN(CC1)C 1 1.023 3 3 0 -17.1769649247868 12004625 COC1=CC=C(C=C1)C\2=CNN/C2=C/3\C=CC(=CC3=O)OCC4=CC=C(C=C4)[N+](=O)[O-] 1 2.228 3 5 0 -2.41953943424015 12004624 CC1=CC(=CC(=C1)N2C(=CC(=C2C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)CC(C)C)C)C 1 5.945 5 1 -12.9788695458303 12004623 CC1=CC=C(C=C1)C(=O)[C@@H]2[C@H](N3[C@@H]([C@]24C5=CC=CC=C5NC4=O)C=CC6=C3C=CC(=C6)F)C(=O)C 1 4.3 2 3 -5.09122589031603 12004622 COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)OC4C(C(C(C(O4)C(=O)O)O)O)O 1 0.833 0 11 0 -4.98462912020306 12004621 C1[C@@H]([C@H]1C(=O)NN=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4 1 4.16 3 4 0 -4.16941466262409 12004620 C1[C@@H]([C@H]1C(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4 1 4.16 3 4 0 -3.09188410625456 12004619 C1[C@@H]([C@H]1C(=O)NN=CC2=CC3=CC=CC=C3N=C2Cl)C4=CC=CC=C4 1 4.12 3 1 0.261284765506563 12004618 CC1=C(C=C(C=C1)N2C=CC=C2/C=C\3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C)Cl 1 4.934 5 3 0 -8.59445269566831 12004617 CC1=C(C(=O)/C(=C\2/C=C(NN2)C(=O)NC3CCS(=O)(=O)C3)/C=C1)C 1 -0.562 3 4 0 -13.7143590266292 12004616 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)NC4=CC(=O)N(C(=O)N4C)C.[Cl-] Cl- 1 2.197 5 3 0 -8.22145487915375 12004615 C1[C@H]2[C@@H](CS1(=O)=O)SC(=N2)N[NH3+].[Br-] Br- 1 -1.729 3 2 0 -6.91081507321784 12004614 CCC[N+]12CCC(CC1)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2.[Br-] Br- 1 3.699 1 0 -1.23550147911952 12004613 CCC(C)[C@@H](C(=O)NN=CC1=NC2=C(C=C1)C=C(C=C2)OC)NC(=O)OC(C)(C)C 1 4.035 4 4 0 -15.695646184323 12004612 COC1=C(C=C(C=C1)CCN2C(=O)/C(=C/NNC(=O)C3=CC=NC=C3)/C(=O)NC2=O)OC 1 4.e-002 5 6 0 -11.5949141535518 12004611 CCC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC(=CC=C1)Br 1 3.185 2 3 -16.1439444298259 12004610 CC1=C(C(=NN1)SCC(=O)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Cl)C)[N+](=O)[O-] 1 3.357 6 3 0 -11.243205145606 12004609 C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)NC4=CC(=CC=C4)F 1 4.002 2 2 -1.90062849048082 12004608 COC1=C(C=C(C=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OCC3=CC=CC=C3Cl 1 4.031 3 5 0 -14.2703667457795 12004607 CCN(CC)C(=O)CN1C2=C(C(=O)N(C1=O)CCCCCC(=O)NC3=CC=CC=C3)SC=C2 1 3.011 4 4 0 -22.1326894838742 12004606 CN(C1=NS(=O)(=O)C2=CC=CC=C21)N=C/C=C/C3=CC=CC=C3 1 2.831 3 2 1.7132380594074 12004605 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=CC=C2)C(=O)NN=C(C)C3=CC=C(C=C3)F 1 2.928 4 3 0 -11.2230039138136 12004604 CC1=C(NC(=C1C(=O)NN=CC2=CC=C(C=C2)C(=O)O)C)C(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 2.813 5 6 0 -8.06096918577157 12004603 CC1=CC(=CC=C1)N2C(=O)/C(=C/NC3=CC4=C(C=C3)NC(=O)N4)/C(=N2)C 1 1.725 5 2 0 -12.1245923001524 12004602 CCOC1=CC=C(C=C1)/C=C/C(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 2.277 3 3 -13.8908179514727 12004601 CC1=CC(=CC=C1)CCNC(=O)C2=CC3=C(C=C2)N/C(=C\C(=O)C4=CC(=C(C=C4)OC)OC)/C(=O)N3 1 3.794 3 5 0 -17.6066599775713 12004600 CC[C@H](C)NC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S 1 4.752 4 3 0 -13.3957717365643 12004599 CC1=CC=C(C=C1)CN2C3=CC=CC=C3O/C(=C/C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5)/C2=O 1 4.433 3 3 -8.73168300236994 12004598 C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)SC4=CC=CC5=CC=CC=C54)/C(=O)N2 1 4.798 2 3 -0.128708894723338 12004597 COC1=CC(=C(C=C1)C2=CC=C(O2)/C=C\3/C(=N)N4C=CSC4=NC3=O)[N+](=O)[O-] 1 2.895 4 5 0 -9.84208879341139 12004596 CC1=C(C(N2C(=N1)N=C(N2)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)Cl 1 2.214 6 5 0 -14.8988880111997 12004595 CC1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NN/C=C/3\C=NC4=CC=CC=C43 1 2.457 5 2 0 -7.80595663871686 12004594 CC1=C(C(=NN1)SCC(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3)C)[N+](=O)[O-] 1 2.692 6 3 0 -13.8800187409724 12004593 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SC2=CC=CC3=C2N=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C 1 1.919 1 9 0 -17.9695980542353 12004592 COC1=C/C(=C/NNC(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=CC=C4)/C=CC1=O 1 1.419 3 6 0 -15.0830826779768 12004591 CC(C)C(C(=O)OCC(=O)C1=CC(=CC=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O 1 2.739 2 7 0 -17.5305092879035 12004590 CN1C(=O)C=C(NC1=O)N(C)N=C/C=C/C2=CC=CC=C2 1 1.546 4 2 0 1.77710117869848 12004589 C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=C/C(=C\5/C=CC=CC5=O)/NN4 1 2.614 3 4 0 -1.4715276345928 12004588 C1CC=C2[C@@H](C1)[C@@H](C(C(=C2N)C#N)(C#N)C#N)C3=CC=C(C=C3)Br 1 3.005 4 0 -4.08685296756636e-002 12004587 C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3NN/C=C\4/C=CC(=O)C(=C4)O 1 0.861 6 2 0 -2.90212779029267 12004586 C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C(=O)O.Cl Cl- 1 2.9 2 2 3.15584768141009 12004585 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 1 -0.224 0 11 0 -0.981908280685473 12004584 C[C@@H]1C2C[C@@]34COC(=O)C3=CC=C[C@H]4[C@@]15C[C@@H](O[C@@H]5O2)C6=COC=C6 1 1.77 0 5 0 -5.63021411821174 12004582 C1CN(CCC1C(=O)C2=CC(=CC=C2)F)CC(=O)NCC3=CC=CS3.Cl Cl- 1 2.785 2 2 -8.95715689109049 12004581 COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O 1 -2.066 0 10 0 -16.3754908983116 12004580 C[C@]12[C@@H]3CC[C@@H]4[C@H]([C@@]3([C@@H](C[C@@H]1C(CC[C@@H]2O)(C)C)O)C(=O)C4=C)O 1 1.814 0 4 0 0.375069643442581 12004579 C[C@]1(C[C@@]23C[C@H]([C@]4(C(C[C@@H](C4(C)C)O)C(=C)[C@H]2CC[C@@H]1[C@H]3O)O)O)O 1 0.282 0 5 0 -3.49347211761212 12004578 C1CC2=[N+](C=C(N2C1)C3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4.[Br-] Br- 1 4.113 2 2 0.221993266596225 12004577 COC1=CC(=C(C=C1)OC)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 2.871 2 6 0 -4.73727747695624 12004576 COC1=CC=C(C=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.038 3 6 0 -18.8942914722291 12004575 COC1=C(C=CC(=C1)CNCCN2CCOCC2)OCC3=C(C=CC=C3Cl)Cl.Cl Cl- 1 4.073 2 3 -7.61717227268659 12004574 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)C3=NN[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC(=CC=C5)Cl 1 1.508 4 5 0 -5.43714411534264 12004573 CCN(CC)CCCNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.147 4 5 0 -31.4361873139408 12004572 C1CCCC(CCC1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4 1 2.234 3 5 0 -22.5522928382322 12004571 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)S/C(=N/N=CC3=CC=NC4=CC=CC=C34)/N 1 3.141 5 3 0 4.41994115436267 12004569 C1=CC=C(C=C1)C\2=NC(=N)S/C2=N\NC3=CC=C(C=C3)Cl.Br Br- 1 5.158 4 0 0.641829433386481 12004568 CC1=C(C=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)NC4=NOC(=C4)C)C.Cl Cl- 1 4.285 4 3 0 -2.45851219850402 12004567 CC1(CC(=CC(N1)(C)C)C2=CC=C(S2)C(=O)O)C.Cl Cl- 1 0.205 1 2 0 -9.81166814593836 12004566 CC(=NNC(=O)C1COC2=CC=CC=C2O1)/C=C/C3=CC4=C(C=C3)OCO4 1 2.663 2 5 0 -3.54877810921859 12004565 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN/C=C/4\C=C(C=CC4=O)[N+](=O)[O-] 1 2.882 4 4 0 -6.79838248253045 12004564 CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NNC(=O)[C@H]3C[C@@H]3C4=CC=CC=C4 1 4.606 3 1 1.62735832418002 12004563 CC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)[C@H]3C[C@@H]3C4=CC=CC=C4)Cl 1 4.606 3 1 1.44766919473739 12004562 CC(C)C(=O)N=C1N(C2CS(=O)(=O)CC2S1)CC3=CC=CC=C3 1 2.831 2 3 -11.5583932414216 12004561 C1CC2=C/C(=C\NNC(=O)C3=CC=CC=C3O)/C(=O)C4=C2N(C1)CCC4 1 1.518 3 3 0 -5.46302059883122 12004560 CC1=CC(=NN1)C(=O)NN=CC2=C/C(=N/NC3=CC=CC=C3)/C=CC2=O 1 2.271 6 2 0 -10.5645257788459 12004559 CC1=C(SC(=S)N1C)NC(=O)OCCNC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 4.405 3 4 0 -12.2885865456741 12004558 CC1=CC=CN2C1=NC(=C(C2=O)C3C(=C(NC(=O)N3)C)C(=O)OCCOC)Cl 1 0.287 4 5 0 -38.0035818540398 12004556 CN1CCC(CC1)(C#N)C2=CC=C(C=C2)OC.Cl Cl- 1 2.103 2 1 -0.130987578692493 12004555 C1CC(CCC1C2=CC=CC=C2)N3CCNCC3.Cl Cl- 1 2.883 2 0 1.18987282142236 12004554 CCOC1=CC2=C(C=C1)N=C(S2)N/C=C\3/C(=O)OC(=N3)C4=CC=C(C=C4)Br 1 3.888 3 3 -6.45685209915927 12004553 CC1=CC(=C(C=C1)OCC(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C 1 4.325 2 5 0 -1.57968761294134 12004552 CCN1C2=CC=CC=C2N=C1C=NNC3=CC=C(C=C3)C(=O)O 1 3.555 4 2 1.9029516333576 12004551 COC1=C(C=C(C=C1)C=NNC(=O)C2=C(C=C(C=C2)O)O)CSC3=CC=CC=N3 1 3.696 3 4 0 -7.6845381400782 12004550 CC(C(=O)NN/C=C/1\C=C(C=C(C1=O)OC)[N+](=O)[O-])NC2=CC=CC3=CC=CC=C32 1 1.489 4 5 0 -4.58921640867197 12004549 CC1=NNC(=O)N=C1NN/C=C\2/C=CC(=O)C(=C2)[N+](=O)[O-] 1 -0.943 6 4 0 -9.30041966384142 12004548 CCC1CCCCN1C(=O)C2=NOC(=C2[N+](=O)[O-])C(C)C 1 3.114 3 4 0 -9.67334838627969 12004547 COC1=CC2=NC3=C(C=C2C=C1)C(=NN3C(=O)C4=CC=CC=C4[N+](=O)[O-])N 1 3.183 5 4 0 -5.45004642464791 12004502 CC1=C(C(=NN1)SCC(=O)NC2=CC=C(C=C2)C#N)[N+](=O)[O-] 1 1.91 5 3 0 -11.5824981843612 12004503 CC(=NNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])/C=C/C2=CC=CC=C2 1 2.91 4 5 0 -6.88589457455445 12004504 C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NN/C=C/3\C=NC4=CC=CC=C43 1 1.971 5 2 0 -8.13102377410261 12004505 CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(=O)NN/C=C\3/C=CC(=O)C(=C3)OC 1 1.791 3 6 0 -16.5174554206957 12004506 COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CN=CC=C3)/NC2=S 1 2.445 3 2 -3.30589849004624 12004507 CC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=C(C=CS3)N(C2=O)CC4=CC=C(C=C4)[N+](=O)[O-] 1 3.537 4 5 0 -16.6355432216335 12004508 CC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=C(C=CS3)N(C2=O)CC4=CC(=CC=C4)[N+](=O)[O-] 1 3.537 4 5 0 -17.643190713767 12004509 CC1=C(C(=NN1)SCC(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3Cl)C)[N+](=O)[O-] 1 3.357 6 3 0 -12.8349684062804 12004510 CC(=O)O[C@@H]1[C@H]2CC[C@H]3[C@]1(C[C@H]([C@]4(C(C3=C)C[C@@H](C4(C)C)O)O)O)C[C@@]2(C)O 1 0.661 0 6 0 -7.97101014191148 12004511 CC1=C(C(=O)C=CN1)OC2C(C(C(C(O2)CO)O)O)O 1 -2.605 1 7 0 -18.5209468454272 12004512 CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1([C@]45[C@H](O4)C(=O)O[C@H]([C@@]5(CC3)C)C6=COC=C6)C)C 1 3.349 0 7 0 -4.71927362717913 12004513 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CS3)NC(=O)/C=C/C4=CC=C(C=C4)Cl 1 4.618 3 2 -4.53906506842315 12004514 CCCCCN(C(=O)NC(=O)NC1=CC=CC=C1C)S(=O)(=O)C2=CC=CC=C2 1 4.354 3 4 0 -0.949001690229003 12004546 COC1=CC2=NC3=C(C=C2C=C1)C(=NN3C(=O)C4=CC(=CC=C4)[N+](=O)[O-])N 1 3.183 5 4 0 -4.07500157892846 12004545 COC1=CC2=NC3=C(C=C2C=C1)C(=NN3C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N 1 3.848 5 4 0 -3.50868655980836 12004544 C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)Cl)C(=O)NN=CC3=CC=CS3 1 4.085 3 2 -7.46182841990886 12004543 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 2.954 4 2 -4.39346604658505 12004542 C1OC2=C(O1)C=C(C=C2)NCC(=O)NN=CC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)F 1 4.4 4 3 0 -9.73129349418161 12004541 CC1=CC2=NC(=O)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)Cl)/C(=N)N2O1 1 3.453 3 3 -0.184941396655295 12004540 CCOC1=CC(=C(C=C1)C2=CC=C(O2)/C=C\3/C(=N)N4C=CSC4=NC3=O)[N+](=O)[O-] 1 3.244 4 5 0 -10.9411914630838 12004539 CCOC1=CC(=C(C=C1)C2=CC=C(O2)/C=C\3/C(=N)N4C(=CSC4=NC3=O)C)[N+](=O)[O-] 1 3.757 4 5 0 -9.44146503244554 12004538 C1=CN(C(=C1)/C=C\2/C(=N)N3C=CSC3=NC2=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.874 5 3 0 -11.5811008132556 12004537 COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CO4)OC 1 3.408 3 4 0 -9.50395412353488 12004536 C1COCCN1C2=C(C=C(C=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)Br)[N+](=O)[O-] 1 3.766 5 4 0 -10.2188080647176 12004535 CCC1=CC=C(C=C1)C2=NN(C(=O)CC2)CCC(=O)NC3CC3 1 1.995 3 2 0 -13.8429819127402 12004534 C1=CC=C(C=C1)/C=C/C=NNC2=NC(=CN=N2)C3=CC=CC=C3 1 3.393 5 0 7.74532896358886 12004533 C[N+]1(CCCCC1)CCCCSC2=CC=C(C=C2)O.[I-] I- 1 2.473 1 1 -2.23357387861638 12004532 COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O 1 0.436 0 10 0 -12.1571228458529 12004531 CC(C)C1=C2[C@H]([C@@H]3C4[C@](CC[C@H]([C@@]4(C2=CC(=O)O1)C)O)(C(=O)O3)C)O 1 1.446 0 6 0 -8.64136700884339 12004530 C[C@]12[C@H](CCC([C@H]1C[C@H]([C@]34[C@H]2C[C@@H]([C@H]([C@H]3O)C(=C)C4=O)O)O)(C)C)O 1 0.582 0 5 0 2.13897208701374 12004529 C[C@@H](C[C@H]([C@@H](C(C)(C)O)O)O)[C@@H]1CC[C@@]23[C@@]1(C2)CC[C@H]4[C@]3([C@@H](C[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC(=O)C)C)O[C@H]6[C@@H]([C@H]([C@@H](C(O6)COC(=O)C)O)O)O)C 1 2.428 0 12 0 -23.4478200987984 12004528 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O 1 -0.172 0 13 0 -1.09294956336595 12004526 C1=CC(=CN=C1)CNC(=O)CC2=CC=C(C=C2)N3C(=O)C4=C(C=CS4)NC3=O 1 1.976 4 3 0 -17.339805370034 12004524 C[C@@H](C[C@H]([C@@H](C(C)(C)O)O)O)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C 1 4.99 0 4 -9.79315681195383 12004521 C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N)S2)C3=CC=C(C=C3)F 1 3.984 2 1 -3.44651267377266 12004520 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=N)S2)C3=CC=C(C=C3)F)F 1 4.19 2 1 -2.11414672956277 12004519 CC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=NC4=CC=CC=C4N3)[N+](=O)[O-] 1 3.118 6 5 0 -1.89929685707866 12004518 C1=CC(=CC(=C1)[N+](=O)[O-])N2C=CC=C2/C=C\3/C(=N)N4C=CSC4=NC3=O 1 2.874 5 3 0 -11.2000270385103 12004517 CC1=CC(=CC(=C1)OCC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)C 1 4.4 1 4 -5.42416634845022 12004516 C(CCCCC(=O)CCCCO)CCCC1C(C(C(N1)CO)O)O[C@H]2C(C(C(C(O2)CO)O)O)O 1 -0.406 1 10 0 -18.366000457789 12004515 CC\1=NN(C(=O)/C1=C/NC2=CC3=C(C=C2)NC(=O)N3)C4=CC=CC=C4 1 1.238 5 2 0 -13.0170006500246 12004501 CN(C)CCC#CC(C1=CC=CC=C1)(C2=CC=CC=C2)OC.Cl Cl- 1 4.152 1 1 1.22271487999255 12004500 C1CC=C2[C@@H](C1)[C@@H](C(C(=C2N)C#N)(C#N)C#N)C3=CC=CC=C3 1 2.256 4 0 -0.858561159421276 12004499 C1CC=C2[C@@H](C1)[C@@H](C(C(=C2N)C#N)(C#N)C#N)C3=CC(=CC=C3)F 1 2.462 4 0 0.590115347939218 12004498 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=C/C=C/C4=CC=CC=C4[N+](=O)[O-] 1 5.259 5 4 0 -18.6063204669331 12004497 CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)NN=C3C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5 1 3.727 3 3 -9.35434094508503 12004496 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3=NN[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC(=CC=C5)F 1 3.446 3 3 -7.71743342581467 12004495 C1CC12C3C=CC2C4[C@H]3C(=O)N(C4=O)NC(=O)CC5=CC=CC=C5 1 1.065 2 3 0 -7.40491232176185 12004494 CC1=CC=C(C=C1)C(=O)NN2C(=O)[C@@H]3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46 1 3.543 2 3 -10.1251037115992 12004493 C1C2C=CC1C3[C@H]2C(=O)N(C3=O)NC(=O)CC4=CC=CC=C4 1 0.978 2 3 0 -4.31639475946438 12004492 C1=CC=C2C(=C1)C=CC(=N2)C(=O)C3=NN[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=CC=C5C(F)(F)F 1 3.278 4 3 0 -6.61527544423733 12004491 COC1=CC=CC(=C1)C(=O)/C=C\2/C(=O)NC3=C(N2)C=CC(=C3)C(=O)NCCC4=CC=C(C=C4)Cl 1 3.988 3 4 0 -13.0761433810614 12004490 CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCC5=CC=CC=C54 1 3.668 3 4 0 -15.4981800631216 12004489 CCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S 1 4.374 4 3 0 -9.78811461865159 12004488 CCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S 1 4.83 4 3 0 -10.4939959174632 12004487 CN(C)C1=CC=C(C=C1)C=NN/C=C/2\C=CC=CC2=O 1 1.98 3 1 0 -5.33474324524133 12004486 CC[NH+](CC)C(C)C#CCC(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-] Cl- 1 4.204 1 0 -2.7408279106964 12004485 COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)[C@@H]4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57 1 4.727 2 3 -2.27476913508896 12004484 CC(C)(C#CCC(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C.Cl Cl- 1 5.272 1 0 -3.07968161806411 12004483 COC1=CC=C/C(=C\NNC(=O)C[N+]2=CC=CC=C2)/C1=O.[Cl-] Cl- 1 0.151 3 3 0 -7.02805082676904 12004482 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.09 3 4 0 -10.7416418209388 12004481 COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4.Cl Cl- 1 1.374 4 5 0 -17.0874709648039 12004480 CC1=CC(=NN1)C2=NNC(=S)N2N=C/C=C/C3=CC=CC=C3OC 1 3.109 6 1 0 -1.77796016016913 12004479 C1=CC=C2C(=C1)NC(=N2)NN/C=C/3\C=C(C(=O)C=C3O)[N+](=O)[O-] 1 0.396 5 4 0 1.69465255138301 12004478 CC1=CC=C(C=C1)CCNC(=O)CN(C)S(=O)(=O)C2=CN=CN2 1 0.409 4 3 0 -9.20798041568745 12004477 CCOC1=CC=CC(=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4 1 3.654 6 2 0 9.21584017481918e-002 12004476 CC1=CC=C(C=C1)C(=O)C2C(C3CSCN3[C@]24C5=C(C=CC(=C5)C)NC4=O)C6=CC(=CC=C6)[N+](=O)[O-] 1 5.025 3 4 0 -4.71243967839465 12004475 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)NCC5=CC=CO5)/C(=O)C(=C1)C 1 2.194 4 4 0 -20.6742787161279 12004474 C1CC2C=CC1C3C2C(=O)N(C3=O)N/C=C\4/C=CC(=O)C(=C4)O 1 -3.e-003 2 4 0 -0.142623204829204 12004473 CCCCCCCCC[N+](C)(C)CC#C.[Br-] Br- 1 3.767 1 0 -5.25789726514455 12004472 C[N+]12CCC(CC1)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2.[Br-] Br- 1 2.826 1 0 -0.874528175812956 12004471 CCCC[N+]12CCC(CC1)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2.[Br-] Br- 1 4.155 1 0 -1.64609950866384 12004470 CCOC(=O)CCCCCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.962 2 6 0 -18.9754335278619 12004469 COC1=CC(=CC(=C1OC)OC)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O 1 3.666 3 5 0 -11.7000919436503 12004468 CCN(CC)CC(C)CNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.596 4 5 0 -30.1949809013145 12004467 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NCC4=CN=CC=C4 1 0.91 4 4 0 -30.0868758572852 12004466 COC1=CC=CC=C1NC(=S)NN/C=C/2\C=NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4 1 3.104 5 3 0 -20.2105125804927 12004465 CCC12[C@H]3C(C(=O)N(C3=O)C4=CC=CC=C4)C(C1=O)(C(=C2C5=CC=CC=C5)C6=CC=CC=C6)CC 1 5.389 1 3 -0.250189406121633 12004464 CCC12[C@H]3C(C(=O)N(C3=O)C4=CC=C(C=C4)C)C(C1=O)(C(=C2C5=CC=CC=C5)C6=CC=CC=C6)CC 1 5.875 1 3 0.304145251068844 12004463 COC1=CC=CC(=C1)CNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S 1 4.1 4 4 0 -16.5544528074998 12004462 COC1=C(C=C(C=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OC 1 2.021 3 7 0 -23.6077287018029 12004461 COC1=CC=CC(=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.038 3 6 0 -20.0213236457811 12004460 COC1=CC(=CC(=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])OC 1 2.871 2 6 0 -6.36575475922208 12004459 C1C=CCC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)NCCC4=CC=C(C=C4)O)[N+](=O)[O-] 1 3.377 3 5 0 -2.14787157351609 12004458 C1=CC(=CC=C1C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N)CCC(=O)O)F 1 2.528 4 3 0 -5.42946258497895 12004457 C1=CC(=CC=C1C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N)CCC(=O)O)Cl 1 2.987 4 3 0 -4.31934091985739 12004456 COC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N)CCC(=O)O 1 2.307 4 4 0 -6.55430581958834 12004455 COC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N)CCC(=O)O)OC 1 2.29 4 5 0 -10.1822435432363 12004454 CC\1=NN(C(=O)/C1=C/NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC4=CC=CC=C43 1 2.086 5 4 0 -6.6186994931577 12004453 CC1=C(C=C(C=C1)N2C(=O)/C(=C/NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/C(=N2)C)C 1 2.81 6 5 0 -4.67487842676936 12004452 COC1=C(C=C(C=C1)/C=C/C2=NC(=N/C(=C\3/C=CC=CC3=O)/N2)N)OC 1 2.456 4 3 0 -6.87004488082759 12004451 COC1=C/C(=C/2\C3=C(CCC3)C4=C(N2)C=CC5=CC=CC=C54)/C=CC1=O 1 4.059 1 2 -5.28779019063739 12004450 COC1=C(C=C(C=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OCC3=CC=C(C=C3)Cl 1 4.031 3 5 0 -12.4590810710168 12004449 CCOC1=CC\2=C(C=C1)N(C(=O)/C2=N\N=C(N)N)C 1 0.483 5 2 0 -0.87617071580146 12004448 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)O 1 1.811 1 4 0 -11.8810272500209 12004447 CN1C(=CC(=O)N(C1=O)C)NN=CC2=CC(=CC=C2)O 1 0.944 4 3 0 -6.09920436414495 12004446 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=C(C5=NON=C45)[N+](=O)[O-])NCCO 1 2.034 6 6 0 6.25239432787584 12004445 COC1=CC=C(C=C1)C2=CNNC(=N2)NN=CC3=CC(=O)C(=O)C=C3 1 0.447 5 3 0 -2.69350503377502 12004444 COC1=CC=C(C=C1)C2=CN=NC(=N2)NN/C=C\3/C=CC(=O)C(=C3)OC 1 1.028 5 3 0 6.9678123013977 12004442 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)C3=NN[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=C(C=C5)F 1 1.049 4 5 0 -8.57417338686854 12004441 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)C3=NN[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC(=CC=C5)F 1 1.049 4 5 0 -7.64914289306343 12004440 CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)NN=C3C(=O)CCN4C(=O)C5=CC=CC=C5C4=O 1 0.583 4 6 0 -13.0007329431305 12004439 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=CC=CC3=C2N=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C 1 1.919 1 9 0 -17.9695980542353 12004438 C1=CC=C(C=C1)/C=C/C=NNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.625 3 2 0.526974806944973 12004437 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=CN3C4=CC=C(C=C4)C(=O)O)/NC2=O 1 2.862 4 5 0 -7.83457042493072 12004436 C1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=C(C=C3)C(=O)O)NC4=CC=CC=C4.[Br-] Br- 1 5.197 2 2 5.06124959244547e-002 12004435 CC(C)COC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NN/C=C/3\C=C(C(=O)C(=C3)OC)[N+](=O)[O-] 1 2.001 5 7 0 -10.5861836853796 12004434 C/C(=C\C1=CC=CO1)/C=NNC(=O)CSC2=NC3=CC=CC=C3N2C 1 3.541 4 2 -10.5843184445444 12004433 CN1C2=CC=CC=C2N=C1SCC(=O)NN=C/C=C/C3=CC=CO3 1 3.095 4 2 -6.53927873180963 12004432 CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)NN=C3C(=O)CCN4C(=O)C5=CC=CC=C5C4=O 1 1.33 4 5 0 -9.28605041233379 12004431 C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)SCC(=O)NN=C/C=C/C4=CC=CC=C4[N+](=O)[O-] 1 5.38 5 3 0 -11.0180305969504 12004430 CN1C=CC=C1CC(=O)NN=C/C=C/C2=CC=CO2 1 2.064 3 2 -4.61183395396486 12004429 CN1C=CC=C1CC(=O)NN=C/C=C/C2=CC=CC=C2 1 2.669 3 1 -3.10759382631675 12004428 CC1=CC=C(C=C1)C(=O)C2=CNC3=C(C=C(C=C3C2=O)F)F 1 3.474 1 2 0.326107723064528 12004427 CC1=CC(=CC(=C1)N/C=C\2/C(=O)C3=C(N2)C=CC(=C3Cl)Br)C 1 4.688 2 1 -4.28383947117327 12004426 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4 1 4 3 3 -4.23882375903558 12004425 CC1=CC=C(C=C1)N2C(=O)/C(=C/NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/C(=N2)C 1 2.323 6 5 0 -3.7252968469713 12004424 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 1.411 6 3 0 -22.9279257646056 12004423 CC1=CC(=CC=C1)CCNC(=O)C2=CC3=C(C=C2)N/C(=C\C(=O)C4=CC(=CC=C4)OC)/C(=O)N3 1 3.81 3 4 0 -14.202645740807 12102115 C1CC[N+](C1)(CC#CCO)CC#CC2=CC=CC=C2.[Br-] Br- 1 1.651 1 1 0 0.899936425983759 12102114 CCCC[N+](CCCC)(CC#CCO)CC#CC1=CC=CC=C1.[Br-] Br- 1 3.847 1 1 2.79614473811026 12102113 CCC[N+](CCC)(CC#CCO)CC#CC1=CC=CC=C1.[Br-] Br- 1 2.935 1 1 2.83885422253004 12102112 CC[N+](CC)(CC#CCO)CC#CC1=CC=CC=C1.[Br-] Br- 1 1.887 1 1 0 3.93525790918331 12098923 CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)C 1 2.025 3 3 -13.8310872748516 12098916 C1CC(CN(C1)S(=O)(=O)C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)Br 1 1.936 3 3 0 -12.9247478032591 12098912 CC(C)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CC=C3 1 2.382 3 3 -13.0066270520929 12098911 CC1=CC(=C(C=C1)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CC=C3 1 2.16 3 3 -14.4308035890043 12098909 CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CC=C3)C 1 2.16 3 3 -13.5380015633846 12098907 CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CC=C3 1 2.13 3 3 -13.5295248845236 12092493 C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)F)C(=O)O 1 2.45 1 3 -4.84887808368554 12089216 C=CCC1C2=C(CCN1)C(=CC=C2)Br.Cl Cl- 1 3.157 1 0 -8.45076778481515 11988220 CC(C1=CC(=CC=C1)NC(=O)CC2=CC=CC3=CC=CC=C32)O 1 3.33 1 2 -6.93172963100648 11984915 CN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C(=O)N(C1=O)C 1 2.25 4 5 0 -5.07792847292186 11984914 C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)NC(=O)NC3=O 1 1.838 4 5 0 -4.47859759137901 11979315 CC1=NC=C(/C(=C/NN/C=C/2\C=CC=CC2=O)/C1=O)CO 1 -1.447 3 3 0 -1.68734557404485 11979314 CC1=NN=C(N1N)NN=CC2=CC(=CC=C2)OCC3=CC(=C(C=C3)Cl)Cl.Cl Cl- 1 3.381 6 1 0 -5.76662976253994 11979313 C1=CC=C(C=C1)/C=C/C=NNC2=NC(=O)C(S2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.66 4 2 -2.99155873505553 11979312 CC1=C(C=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NN=C/C=C/C3=CC=CC=C3)Cl 1 4.481 4 2 -4.17979157436023 11979311 C1=CC=C(C=C1)/C=C/C=NNC(=O)CNC(=O)COC2=CC=CC=C2 1 1.938 3 3 0 -8.22211970506334 11979310 COC1=CC=C(C=C1)C\2=NN(C(=O)/C2=C/NCC3=CC=C(C=C3)F)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.862 4 4 0 -6.71746947247093 11979309 CC1=CC(=C(C=C1)C)OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O.Cl Cl- 1 3.96 3 4 0 -5.2231358121513 11979308 COC1=CC=C(C=C1)C\2=NN(C(=O)/C2=C/NCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.656 4 4 0 -8.24416140271578 11979307 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COCC5=CC=C(C=C5)Cl)O.Cl Cl- 1 3.473 3 4 0 -4.22724951115927 11979305 CC1=NNC(=O)C1CCC(=O)NN=C/C(=C/C2=CC=CC=C2)/Br 1 1.474 4 2 0 -22.4738878074093 11979304 CN(C1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)N/C=C\4/C=CC(=O)C(=C4)O 1 3.439 4 2 3.70791100615773 11979303 C1CCN(C1)CCCNC2C3CC4CC(C3)CC2C4.Cl Cl- 1 2.703 2 0 1.57215250457737 11979302 COC1=CC=C(C=C1)C=NN/C=C/2\C=NC(=O)C(=C2NC3=CC=CC=C3)C#N 1 2.229 5 2 0 -2.19512133258791 11979300 C1C(OC2=CC=CC=C2O1)C(=O)NN=C/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 2.71 3 5 0 -0.490032880360982 11979299 CC1=CC=CC=C1NCC(=O)NN=C(C)/C=C/C=C/C2=CC=CC=C2 1 3.736 3 1 -3.91476062411263 11979297 C1=CC=C(C=C1)/C=C(/C(=O)NN=C/C=C/C2=CC=CO2)\NC(=O)C3=CC=CC=C3 1 3.395 3 3 -14.065277215854 11979296 C1=CC=C(C=C1)C2=NNC(=S)N2N/C=C/3\C=NC4=CC=CC=C43 1 2.747 5 0 -2.3388289493348 11979295 C=CCOC1=C(C=C(C=C1)Br)CNCCCN2CCOCC2.Cl Cl- 1 2.605 2 2 -4.25088261428537 11979294 CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=C(C=CC(=C4)C)C=C3)CC.[I-] I- 1 6.76 2 0 16.3272976530973 11979293 CC1=C(C=C(C=C1)C(=O)C[N+]2=CC(=CC(=C2)Br)Br)[N+](=O)[O-].[Br-] Br- 1 4.567 2 3 -5.04133008384123 11979290 CCOC1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.403 2 2 -7.6532548151066 11979289 CC(C)CCNCC1OCC2=CC=CC=C2CO1.Cl Cl- 1 2.639 1 2 -2.14417313208086 11979288 CN1C2=C(C=[N+](C=C2)CC(=O)C3=CC=CC=C3)N=C1C4=CC(=C(C(=C4)OC)OC)OC.[Br-] Br- 1 4.287 3 4 0 0.824154992000243 11979287 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.Cl Cl- 1 4.351 4 2 -7.22705651825098 11979286 CCN(CCCCCN(C)C)CC1=CC2=CC=CC=C2O1.Cl Cl- 1 3.871 2 1 6.21195981504772 11979283 C1=CC=C2C(=C1)NC(=N2)CCC3=CC(=CC=C3)N.Cl Cl- 1 3.015 3 0 0.814188593243099 11979282 C[N+]1=CC=C(C=C1)C(=O)NN=CC2=CC=CO2.[I-] I- 1 1.683 3 2 0 -5.62749249208323 11979281 CC(C)(C)NCC(CCC(CNC(C)(C)C)C(=O)C1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)OC.Cl Cl- 1 4.959 2 4 -6.25655699161148 11979278 CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(=O)NNC3=NC4=CC=CC=C4C=C3)O.Cl Cl- 1 4.626 3 2 -4.8081123279514 11979277 CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)N.[Br-] Br- 1 7.239 2 1 -0.542128934144078 11979276 CC1(CC2=CC=CC=C2/C(=C/C(=O)C3=CC(=C(C=C3)OC)OC)/N1C)C.Cl Cl- 1 4.097 1 3 -7.83187127408678 11975485 CC1=C(/C(=C/CO)/[C@H]2[C@@](C13CC3)(OC(=O)O2)C)C/C(=C/C4=CC=CC=C4)/C 1 4.693 0 4 -2.20538476621073 11975484 CC1=C(/C(=C/CO)/[C@@H]([C@](C12CC2)(C)O)O)C/C(=C/C3=CC=CC=C3)/C 1 3.312 0 3 0.577522887163813 11972533 C1CN2CC3=CC4=C(C=C3[C@H]5C2C1=C[C@@H]([C@H]5O)O)OCO4.Cl Cl- 1 0.713 1 4 0 -1.05240977984631 11972088 CC1=CC=CC=C1OCC(CN2CCCCC2)O.Cl Cl- 1 2.844 1 2 -3.81168914742748 11969970 C/C=C/C=C/[C@H]1CC2=CC(=CC(=C2O1)O)O 1 2.919 0 3 4.31377764213221 11968057 CSC1=N/C(=C\2/C=CC=CC2=O)/N/C(=C\3/C=CC=CC3=O)/N1 1 2.397 3 2 -7.39127675700331 11967786 C1C([C@H]2[C@@H]([C@H]([C@@H](O1)O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 1 4.383 0 8 0 -10.7472113589142 11961672 C[Se]C[C@H](C(=O)O)N.Cl Cl- 1 -2.442 1 2 0 -6.08399691034359 11958913 COC1=C(C(=CC(=C1)CNCCCN2CCOCC2)Br)OCC(=O)N3CCCCC3.Cl Cl- 1 2.154 3 4 0 -11.3884203430843 11958912 CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C4N3C=CC=C4)C.Br Br- 1 3.624 4 0 6.45994002152087 11958911 COC(=O)NN=C/C=C/C1=CC2=C(C=C1)OCO2 1 1.79 2 4 0 -2.75491244182159 11958909 COC1=CC(=CC(=C1OC)OC)COCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O.Cl Cl- 1 2.759 3 7 0 -10.612854421219 11958908 C\1=CC(=O)C(=C/C1=C\2/C=C/C(=C/NN=C(N)N[N+](=O)[O-])/O2)C(=O)O 1 1.059 5 6 0 -7.0359145632768 11958906 CC(CNCCNCC1=CC(=CC(=C1OC)Cl)Cl)O.Cl Cl- 1 2.121 2 2 4.6184514263872 11958905 COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3OC.CS(=O)(=O)O CS(=O)(=O)O 1 1.541 4 5 0 -13.1326988273955 11958903 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C(C2=CC=CC=C2)O 1 2.872 2 2 -9.73280293307351 11958902 COC1=CC=CC=C1/C=C/C=NN2CCN(CC2)C3=CC=CC=N3 1 2.925 4 1 6.19864513133794 11958901 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)CSC3=NN/C=C/4\C=CC=CC4=O 1 1.149 5 3 0 -15.9362287199948 11958900 C1CN(CCN1CC(COCC2COC3=CC=CC=C3O2)O)C4=CC=CC=C4.Cl Cl- 1 2.77 2 4 -1.01385084509739 11958899 CC1=CC(=NN1)C(=O)NN=C/C=C/C2=CC3=C(C=C2)OCO3 1 1.829 4 3 0 -4.73236379190389 11958898 CC1CCC(C(C1)OCC(CN2CCN(CC2)CC3=CC=CC=C3)O)C(C)C.Cl Cl- 1 4.356 2 2 0.843545599145606 11958897 COC1=CC=CC=C1/C=C/C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 3.926 4 2 -1.28438187566834 11958896 CN(C)CCCCCCCCCCC(=O)C=NO.Cl Cl- 1 3.529 2 2 -2.20208509046713 11958895 C1CN(CCN1C2=CC=CC=N2)N=C/C=C/C3=CC=CC=C3 1 2.942 4 0 7.72029879315099 11958894 CCN1CCN(CC1)CC(COC(C)C)O.Cl Cl- 1 0.71 2 2 0 -5.21436267554648 11958893 COC1=C/C(=C/NNC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4)/C=CC1=O 1 2.268 4 3 0 0.938617592608994 11958892 C1CN(CCN1CC(COCC2COC3=CC=CC=C3O2)O)C4=CC=CC=C4F.Cl Cl- 1 2.976 2 4 -0.179336303441093 11958891 C1/C(=C\2/C=CC=CC2=O)/NC3=CC=CC=C3N=C1C4=CC=CS4 1 3.728 2 1 -10.5907009536154 11958890 CC1=CC=C(C=C1)NCC(=O)NN=C(C)/C=C/C2=CC3=C(C=C2)OCO3 1 3.036 3 3 -8.59913180941192 11958889 C1=CC=C(C=C1)/C=C/C=NNC(=O)C(C2=CC=CC=C2)O 1 2.426 2 2 -3.60392840633701 11958888 C1=CC=C(C=C1)C(C(=O)NN=C/C=C/C2=CC=CO2)O 1 1.821 2 3 0 -4.91253129846165 11958887 C1=CSC(=C1)C(=O)NN=C/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.891 3 3 -2.68404344090131 11958884 CC1C(C(C(C(O1)OC2=C(C3=C(C=C2)C=CC(=O)O3)C4=C(C=CC5=C4OC(=O)C(=C5)OC6=CC7=C(C=C6)C=CC(=O)O7)O)O)O)O 1 3.296 0 13 0 -8.31858825601099 11958882 C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NN=CC3=CC4=C(C=C3)OCO4)\NC(=O)C5=CC=CC=C5 1 3.176 3 6 0 -18.9768704821502 11958881 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=CC(=C3)NC(=O)C4=CC=CC=C4.[Br-] Br- 1 4.259 3 3 -3.09739105781614 11958879 CCC1=CC=C(C=C1)CNCCNCC(C)O.Cl Cl- 1 1.751 2 1 0 0.239889861638678 11958878 COC1=C(C=C(C=C1)/C=C(\C(=O)NN=CC2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=CC=C4)OC 1 3.375 3 6 0 -22.6292482541053 11958876 CC1=CC(=O)C2=C(C(=C(C=C2O1)O)C/C=C(/C)\COC3C(C(C(C(O3)CO)O)O)O)O 1 0.436 0 10 0 -14.7665294087879 11958875 CC(C)OC(=O)C(=O)/C=C(\C1=CC=CC=C1)/NC2=CC=CC=C2O 1 3.603 1 4 1.53597624366768 11958874 C1=CC2=C(C(=C1)NN/C=C/3\C=CC(=O)C=C3O)N=CC=C2 1 1.42 3 2 0 -0.584849959546722 11958873 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)S/C(=N/N=C(C)C3=CC=CS3)/N 1 3.761 4 3 0 -4.12569860350482 11958872 C1=CC=C2C(=C1)NC(=O)/C(=C\NC3=CC(=CC=C3)Cl)/S2 1 3.08 2 1 -0.708272892132483 11958871 CN(C)CCCNCCNC(=O)C=NO.Cl Cl- 1 -0.958 4 2 0 -4.56967416243546 11958870 C1C(OC2=CC3=CC=CC=C3C=C2O1)C(=O)NN=C/C=C/C4=CC5=C(C=C4)OCO5 1 3.493 2 5 0 1.17803724712383 11958869 COC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)CNCCCN3CCOCC3)OC.Cl Cl- 1 1.843 3 5 0 -11.1508953739421 11958868 CC1=CC=CC=C1C2=C/C(=C\3/C=CC=CC3=O)/ON2 1 2.172 1 2 -1.91026260626936 11958867 COC1=CC=CC=C1/C=C/C=NN2CCN(CC2)CC3=CC=C(C=C3)Cl.Cl Cl- 1 4.112 3 1 9.67855988431977 11958866 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)NN=CC3=CC=C(O3)Br 1 3.497 4 5 0 -20.9957516339474 11958865 CCCCN(CCCC)C(=S)NN/C=C\1/C(=NN(C1=O)C2=CC=CC=C2)C 1 4.025 5 1 -9.28807890329455 11958864 CC(=NNC(=S)N)/C=C/C1=CC=CC=C1 1 2.238 3 0 -1.59343338487412 11958863 CCOC1=C(C=C(C=C1CNCCNCCO)Cl)Cl.Cl Cl- 1 2.092 2 2 4.11337912232777 11958862 CC1=CC=C(C=C1)NCC(=O)NN=C(C)/C=C/C=C/C2=CC=CC=C2 1 3.736 3 1 -3.78534266914041 11958861 CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)S/C(=N/N=C(C)C3=CC=CS3)/N 1 5.129 4 3 0 -4.68046914510571 11958860 CCC(=NNC(=O)CNC(=O)/C=C/C1=CC=CO1)C2=CC=CC=C2 1 2.253 3 3 -13.3118937932301 11958859 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOC(=O)CC3C4CC5CC(C4)CC3C5.Cl.[Cl-] Cl- Cl- 1 4.063 4 2 -0.578236078781856 11958858 C1=CC=C(C=C1)C\2=NNC(=O)/C2=C\NC3=CC(=CC=C3)Cl 1 2.931 3 1 -5.24898089809809 11958857 CCOC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl 1 3.497 3 3 -2.94758119357205 11958856 CCOC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl 1 4 3 2 -2.60565793306296 11958855 C1CN(CCC1C2=CC(=NN2)C3=CC=C(C=C3)Cl)C4=CC(=NC(=N4)N)Cl 1 4.737 6 0 4.99021113491669 11958853 C1=CC=C(C=C1)OC/C(=N/NS(=O)(=O)C2=CC=CC=C2)/N 1 1.464 3 3 0 -4.93314520654189 11958852 CN1C2=C(C(=O)/C(=C(\NC3=CC=CC=C3)/O)/S1(=O)=O)SC=C2 1 2.003 2 4 -4.07547605677657 11958851 C1=CC=C(C=C1)S(=O)(=O)N/N=C(/COC2=CC(=CC=C2)Cl)\N 1 2.128 3 3 -2.89536854097991 11958850 CCOC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl 1 4.178 3 2 -3.43197687528051 11958849 C1=CC=C(C=C1)S(=O)(=O)N/N=C(/COC2=CC=C(C=C2)Cl)\N 1 2.128 3 3 -2.32988104193802 11958848 CCOC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)O)C3=CC=C(C=C3)Cl 1 3.272 3 3 -0.725783821923809 11958847 CCOC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.514 3 2 -2.86696112820519 11958846 C1=CC=C(C=C1)C\2=NNC(=O)/C2=C\NC3=CC=CC=C3Cl 1 2.931 3 1 -7.3189753267706 11958845 CN1C2=CC=CC=C2C(=O)/C(=C(\NC3=CC=CC=C3)/O)/S1(=O)=O 1 2.05 2 4 -1.14683530614879 11958844 C1=CC=C(C=C1)S(=O)(=O)N/N=C(/COC2=C(C=C(C=C2)Cl)Cl)\N 1 2.793 3 3 -2.74353364657818 11958843 CN1C2=CC=CC=C2C(=O)/C(=C(\NC3=CC=CC=C3)/S)/S1(=O)=O 1 2.652 2 3 -6.4840947792582e-002 11958842 CN(C)NC1CCS(=O)(=O)C1.Cl Cl- 1 -1.066 2 2 0 -8.55279468848692 11958841 C1=CC=C2C(=C1)C=CC=[N+]2CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 5.471 2 1 5.15146789357144 11958840 CC1=CC=C(C=C1)NN/C=C\2/C(=O)C=C(OC2=O)C 1 1.692 2 3 0 -1.02769768778678 11958839 C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)NC(=O)C3=CC=CC=C3.[Br-] Br- 1 3.475 2 2 -2.64441607398956 11958838 C1=CC=C(C=C1)/C=C\NC(=O)NCC2=CC=C(C=C2)Cl 1 3.136 2 1 -0.119122303544745 11958837 C1=CC=C(C=C1)/C=C\NC(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 3.8 2 1 -0.757233550978356 11958836 C[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)Br.[I-] I- 1 4.169 1 0 3.854393840192 11958835 CC(=O)C1=CC(=CC=C1)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-].Cl Cl- 1 3.321 3 3 2.77037807898077 11958834 CC1=C(C2=CC=CC=C2N1)/C=C/C3=CC=[N+](C=C3)C.[I-] I- 1 3.859 2 0 2.09354509980872 11958832 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)S/C(=N/N=CC3=CC=NC4=CC=CC=C34)/N 1 3.905 5 2 0 5.19824630899219 11958831 COC1=CC=CC(=C1)CNC(=O)C23CN(CC2C(=NO3)C4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5 1 3.682 4 5 0 -3.31786038521804 11958830 CN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=CC=C3OC)OCC=C 1 3.316 3 3 -13.4772944350027 11958829 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F)OC 1 6.165 3 3 -9.1677987695091 11958828 CN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=C(C=C3)OC)OCC=C 1 3.316 3 3 -11.3630366039368 11958827 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=C(C=C3)OC)OCC 1 4.377 3 3 -12.5049328922977 11958826 CC(C(=O)/C=C\N(C)C)OC1=CC=C(C=C1)F 1 2.239 1 2 -1.70908728194788 11958825 C1=CC=C(C=C1)/C=C/CSC2=NN3C(=CC=NC3=N2)/C=C\C4=CC=CC=C4 1 5.769 4 0 -1.97856380538952 11958824 C1=CC=C(C=C1)C(=O)CN/C=C\C(=O)C2=CC=CC=C2 1 2.444 1 2 -2.55862126940397 11958823 CC1=C(SC(=N1)NC(=O)C2=CC=CO2)C3=CSC(=N3)NC4=C(C=CC(=C4)Cl)OC 1 4.086 4 3 0 4.9821748756948 11958822 CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CSC(=N3)NC4=CC=CC=C4OC 1 3.92 5 4 0 -0.576194809697473 11958821 CC1=C(SC(=N1)NC(=O)C2=CC=CO2)C3=CSC(=N3)NC4=CC(=CC=C4)OC 1 3.421 4 3 0 4.17551091361072 11958820 CC1=C(SC(=N1)NC(=O)C2=CC=CO2)C3=CSC(=N3)N(C4=CC(=CC=C4)OC)C(=O)C5=CC=CO5 1 4.471 4 5 0 -3.29920228733265 11958819 CCOC1=CC=CC=C1NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C 1 4.269 5 4 0 -1.36944555857746 11958818 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=CC=C(C=C4)F 1 4.248 4 1 2.94680176282849 11958817 CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)Cl)C3=CSC(=N3)NC4=CC(=CC=C4)F 1 4.912 4 1 7.03631791262245 11958816 COC1=CC=C(C=C1)CCNC(=O)C2CC(=NO2)C3=CC=CC=C3[N+](=O)[O-] 1 2.588 3 5 0 -10.5157351402811 11958815 COCCNC(=O)C1CC(=NO1)C2=CC=CC=C2[N+](=O)[O-] 1 0.569 3 5 0 -13.9104339352002 11958813 CCCCNC(=O)C1CC(=NO1)C2=CC=CC=C2[N+](=O)[O-] 1 2.028 3 4 0 -13.1950076318305 11958812 CC(C)CCNC(=O)C12CN(CC1C(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4 1 3.695 4 4 0 -7.48649475755994 11958811 C1C2C(=NOC2(CN1CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-] 1 3.698 4 4 0 -3.91156360819905 11958810 CC1=CC=CC=C1NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C 1 4.423 5 3 0 0.637252174731698 11958809 C1C(ON=C1C2=C(C=CC=C2Cl)Cl)C(=O)NCCC3=CC=CS3 1 3.706 2 2 -12.9716635072312 11958808 COC1=CC=CC=C1CNC(=O)C2CC(=NO2)C3=C(C=CC=C3Cl)Cl 1 3.701 2 3 -11.7496465294308 11958807 C1CC1(C(=O)N)NC(=O)[C@@H]2CC3(CC(=NO3)C4=CC(=CC=C4)NC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])CN2C(=O)C6=CC=CC=C6 1 1.62 7 9 0 -10.0918774955184 11958806 CC1=C(C=C(C=C1)Cl)NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC=CC=C4)C 1 5.193 4 1 4.21196355521022 11958805 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=CC=C(C=C4)Cl 1 4.707 4 1 4.05692342795006 11958804 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=C(C=C(C=C4)Cl)Cl 1 5.371 4 1 4.93057893571613 11958803 CC1=CC=CC=C1NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC(=CC=C4)Cl)C 1 5.193 4 1 5.10716917970881 11958802 CC(=O)/C=C\C1=CN(C2=CC=CC=C21)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.099 2 1 6.84007960070117 11958801 CC1=C(SC(=N1)NC(=O)C2=CC=CO2)C3=CSC(=N3)NC4=C(C=C(C=C4)Cl)Cl 1 4.766 4 2 6.63207890141228 11958800 C1C(ON=C1C2=C(C=CC=C2Cl)Cl)C(=O)NCC3=CC=CO3 1 2.899 2 3 -11.3759091637633 11958799 CC1=CC=C(C=C1)CCNC(=O)C2CC(=NO2)C3=CC=CC=C3[N+](=O)[O-] 1 3.09 3 4 0 -10.1027689311369 11958798 COC1=CC=C(C=C1)CNC(=O)C2CC(=NO2)C3=CC=CC=C3[N+](=O)[O-] 1 2.267 3 5 0 -10.2584818645823 11958797 C1CC(=O)N[C@@H]1C(=O)NC2=CC=CC(=C2)C3=NOC4(C3)C[C@H](N(C4)C(=O)CC5=CC=C(C=C5)Cl)C(=O)NC6(CC6)C(=O)N 1 0.317 6 6 0 -11.76680096807 11958796 CC1=CC=C(C=C1)CNC(=O)C2CC(=NO2)C3=CC=CC=C3[N+](=O)[O-] 1 2.769 3 4 0 -9.84551565543816 11958795 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=CC(=CC=C4)F 1 4.248 4 1 4.3212774280015 11958794 CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)Cl)C3=CSC(=N3)NC4=CC=CC=C4OC 1 4.69 4 2 3.89372219527964 11958793 CC1=C(C=C(C=C1)Cl)NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC(=CC=C4)Cl)C 1 5.857 4 1 5.36565562845543 11958792 CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C 1 4.423 5 3 0 0.747877923181551 11958791 CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC(=CC=C4)Cl)C 1 5.193 4 1 5.31518915468345 11958790 C\1CC2=C(C(=O)/C1=C\C3=CC=CC=C3)NC4=CC=CC=C24 1 4.847 1 1 -0.941016976849262 11958789 CN1[C@@H]([C@@H]2[C@H](O1)C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=C(C=C4)OC 1 2.728 2 4 3.96710855188553 11958788 CC1=CC=C(C=C1)/C=C\2/CCC3=C(C2=O)NC4=CC=CC=C34 1 5.334 1 1 -0.600660162752504 11958787 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CSC(=N3)/C(=C\C4=CC=C(C=C4)F)/C#N 1 3.802 3 2 -16.1462941286844 11958786 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CSC(=N3)/C(=C\C4=CC(=CC=C4)C(F)(F)F)/C#N 1 4.539 3 2 -12.3134734715282 11958785 CC1=CC=C(C=C1)/C=C(/C#N)\C2=NC(=CS2)CCN3C(=O)C4=CC=CC=C4C3=O 1 4.082 3 2 -16.8581711541497 11958784 CC(=NNC(=O)CNC(=O)C1=CC2=C(C=C1)OCO2)/C=C/C3=CC=CC=C3 1 1.95 3 4 0 -13.298720737304 11958783 C\1=C(C=C(C(=O)/C1=C/NNC2=NN=CN2N)Br)Br.Cl Cl- 1 -0.546 6 1 0 -2.75395332463794 11958782 CC1=C[N+](=CC=C1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl.[Cl-] Cl- 1 4.163 2 1 -1.15022547809322 11958781 C1C[N+]2(CCC1C(C2)C(C3=CC=CS3)(C4=CC=CS4)O)CF.[Cl-] Cl- 1 1.919 1 1 0 -4.41413603107067 11958780 CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)CN(CCC#N)S(=O)(=O)C)/C(=O)NC2=S)C 1 3.094 4 5 0 -8.27711726966549 11958779 C1=CC=C(C(=C1)C(=O)NN/C=C\2/C=CC(=O)C(=C2)O)OCC(=O)NN/C=C\3/C=CC(=O)C(=C3)O 1 -1.057 4 7 0 -9.02648620384795 11958778 CC1=CC(=C(C=C1)C)NC(=O)C2=C[N+](=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-] Br- 1 4.669 3 3 -3.44041407457775 11958777 C[N+](C)(C)CCCN1C(=O)CCCC1=O.[I-] I- 1 -1.284 2 2 0 -9.56119072176217 11958776 C=CCOC1=CC=CC=C1CNCCCN2CCOCC2.Cl Cl- 1 1.856 2 2 0 -5.88509449090799 11958775 C[N+]12CCC(CC1)C(C2)C(C3=CC=CC=C3)(C4=CC=CS4)O.[I-] I- 1 1.827 1 1 0 -2.80330824066302 11958774 CCCCSC1=NC(=CC(=N1)SCC(=O)NN/C=C/2\C=CC=C(C2=O)OC)C 1 2.522 4 3 0 -12.7117776527013 11958773 CCOC(=O)C1=CN=C2/C(=N/NC3=CC(=CC=C3)Cl)/C(=NN2C1=N)N 1 1.281 7 2 0 -5.80301209350126 11958772 C=CCOC1=C(C=C(C=C1)Cl)CNCCCN2CCOCC2.Cl Cl- 1 2.521 2 2 -1.89066609652251 11958770 CC1=CC=C(C=C1)N/N=C/2\C(=NN3C2=NC(=CC3=O)C4=CC=CC=C4)N 1 2.633 6 1 0 -3.74181609770213 11958769 CC\1=NC2=CC=CC=C2/C1=C/NNC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N5CCOCC5.Cl Cl- 1 1.917 8 1 0 -1.10630435356561 11958768 C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)/C(=N/NC4=CC=CC=C4)/C(=N3)N 1 2.146 6 1 0 -4.19150169812372 11958767 C1=CC(=O)C=C2C1=C/C(=C(/N)\S)/C(=O)O2 1 0.588 1 3 0 -0.17551464690813 11958766 CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl.[Cl-] Cl- 1 2.792 4 3 0 -8.58826850781322 11958765 C1=CC=C2C(=C1)C(=CC=N2)C=NNC3=CC=CC=C3C(=O)O.Cl Cl- 1 3.264 3 2 1.0891457671823 11958764 C1=CC2=C(N=C1)N=C(N2)/C(=C/C3=CC=C(C=C3)Cl)/C#N 1 3.286 4 0 -1.42358152205708 11958763 CC1=CC=CC=[N+]1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl.[Cl-] Cl- 1 2.775 3 3 -6.33296142807738 11958762 CC1=CC=CC=[N+]1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC.[Cl-] Cl- 1 2.094 3 4 0 -11.2417420260109 11958761 CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)N.Cl Cl- 1 1.875 2 3 0 -15.5191472283823 11958760 CC1=C(C=C(C=C1)NC(=O)C[N+]2=CC=CC=C2)[N+](=O)[O-].[Cl-] Cl- 1 2.451 3 3 -9.23331668303348 11958759 CC(CC=C)(C1=CC=CC=C1)NCC2=CC=CC=C2.Cl Cl- 1 4.122 1 0 -6.08314715702592 11958758 CCCC1CCC2(C3=C(CCC3)CC[N+]2(C1)C)C.[I-] I- 1 2.932 1 0 -4.27012800331537 11958757 CCCC1=[N+](CCN2C1=CC=C2C)CC(=O)C3=CC=CC=C3.[Br-] Br- 1 3.866 2 1 -5.1666923737775 11958756 CC1=CC=CC(=C1)C(=O)N(CCCN(C)C)C2=NC(=CS2)CC(=O)NC3=CC=C(C=C3)Cl.Cl Cl- 1 4.417 4 2 -7.60257603489246 11958755 COC1=CC=CC(=C1)N/N=C/2\C(=NN3C2=NC(=CC3=O)C4=CC=CC=C4)N 1 2.13 6 2 0 -3.77866752495921 11958753 CC1=C[N+](=CC=C1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl.[Cl-] Cl- 1 3.116 3 3 -5.80845646814835 11958751 CCCCN1C(=CN=C1SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3.Cl Cl- 1 5.076 3 3 -19.6088583116383 11958750 CN1CCN(CC1)CCOC2=CC(=CC=C2)Cl.Cl Cl- 1 2.574 2 1 6.49303283595957 11958749 CCO.CN1C2=C(C(=O)N(C1=O)C)C3(C4=CC=CC=C4NC3=O)C(=C(O2)N)C#N CCO 1 -0.252 5 4 0 -14.949491116936 11958748 C1=CC=C(C=C1)C[N+]2=CC=CC3=C2C=CC4=CC=CC=C43.[Cl-] Cl- 1 5.126 1 0 5.72475859826118 11958747 CC(C)C1=CC=C(C=C1)CNCC2=CC=CC=C2.Cl Cl- 1 4.145 1 0 2.26444931025611 11958744 CC1CCC2(C3=C(CCC3)CC[N+]2(C1)C)C.[I-] I- 1 2.02 1 0 -3.32047997190938 11958743 CCC1CC[N+]2(CCC3=C(C2(C1)C)CCC3)C.[I-] I- 1 2.409 1 0 -4.16944014976139 11958742 CC1=NC2=C(C=C(C=C2)Br)C(N1CC(=O)OC)C3=CC=CC=C3.Br Br- 1 3.238 2 2 -7.93895654016571 11958741 CCCCCCCCCOC(=O)C[N+]1=CSC(=C1C)CCO.[Cl-] Cl- 1 4.812 1 3 -1.59358329740724 11958740 CCN1C2=CC=CC=C2N=C1SCC(=O)NN=C/C=C\C3=CC=CC=C3[N+](=O)[O-] 1 3.943 5 3 0 -8.2309395436978 11958738 COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)C#C)OC.Cl Cl- 1 4.53 2 4 -11.8217797860114 11958737 CC(C)OC1=CC=C(C=C1)CSC(=N)N.Cl Cl- 1 2.717 2 1 -3.83438208125061 11958736 CC1=C[N+](=CC=C1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC.[Cl-] Cl- 1 2.435 3 4 0 -10.7172370660819 11958735 CC\1(C2=CC=CC=C2N(/C1=C\C=[N+](C)C3=CC=CC=C3)C)C.[I-] I- 1 4.416 2 0 8.999010474438 11958734 CC(C)COC1=CC=C(C=C1)C2(CC[N+](CC2)(C)C)C#N.[Br-] Br- 1 1.94 2 1 0 -7.30709496539 11958731 C[N+]1=C2N(C3=CC=CC=C31)N=C(CS2)C4=CC=C(C=C4)Cl.[Br-] Br- 1 4.908 3 0 1.34175489798752 11958728 CCCNC(=S)NC1CC2CCCC(C1)N2CC(C)C.Cl Cl- 1 3.807 3 0 -12.4583597230472 11958727 CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=C(C=CC=C4C)C=C3)CC.[I-] I- 1 6.76 2 0 14.2513863931985 11958726 CC1=C[N+](=CC=C1)C(C)C(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-].[Br-] Br- 1 3.421 3 3 -7.9425975651717 11958725 CC(C)COCC1CC(C(=O)O1)CC(=NNC2=NC(=CS2)C3=CC=CC=C3)C.Br Br- 1 3.273 3 3 -1.2054021683325 11958724 CC[N+](CC)(CC#C)CC#CC1=CC(=CC=C1)Cl.[Br-] Br- 1 3.693 1 0 2.71193199273785 11958723 C1CC2=C(C1)SC3=NC=NC(=C23)NC4=CC=C(C=C4)F.Cl Cl- 1 4.333 3 0 -2.79537387137776 11958722 C1CN(CCN1CC(COC2=CC=CC=C2)O)C(=O)/C=C/C3=CC=CC=C3.Cl Cl- 1 2.79 2 3 -7.33118292207411 11958721 CCN(CC)CC#CCC1(C2=CC=CC=C2C3=CC=CC=C31)O.Cl Cl- 1 4.13 1 1 -3.98119200581277 11958720 CC[N+]1=C(SC2=CC=CC=C21)/C=C\3/CC(CC(=C3)C)C.[I-] I- 1 5.756 1 0 17.0190253974899 11958719 C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)N.Cl Cl- 1 2.586 1 1 1.89136179105991 11958718 CN1C2=C(C=[N+](C=C2)CC(=O)C3=CC=C(C=C3)OC)N=C1C4=C(C=C(C=C4)OC)OC.[Br-] Br- 1 4.287 3 4 0 3.33604175158313 11958717 CCCCCCOC(=O)C[N+](C)(C)CCOC1CC2CCC1(C2(C)C)C.[Cl-] Cl- 1 3.115 1 3 -6.1295144539393 11958716 COC1=C(C=C(C=C1)/C=C(\C(=O)NN=CC2=CC=CS2)/NC(=O)C3=CC=CC=C3)OC 1 3.56 3 4 0 -22.3621722597131 11958715 CCC1=NN=C(N1N)NN=CC2=CC=CC=C2Cl.Cl Cl- 1 1.817 6 0 0 -5.81891169845523 11958714 CC1=CC=[N+](C=C1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl.[Cl-] Cl- 1 4.163 2 1 -2.14146539484261 11958713 CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl.[Cl-] Cl- 1 3.839 3 1 -3.93003751775809 11958712 CC1=CC=C(C=C1)OCC(=O)NN=C/C=C/C2=CC=CO2 1 2.76 2 3 -1.85180104911361 11958711 CC1=CC2=C(C=C1)N=C(N2)CC3=CC=C(C=C3)N.Cl Cl- 1 3.045 3 0 2.90175200990984 11958710 CC[N+]1=C(SC2=C1C=C(C=C2)Cl)/C=C/N(C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 5.451 2 0 16.3117884174318 11958709 CC[N+]1=C(SC2=C(C=C(C=C21)C)C)C.[I-] I- 1 3.932 1 0 2.96595690366306 11958708 CCOC1=CC=C(C=C1)C2(CC[N+](CC2)(C)C)C#N.[Br-] Br- 1 1.097 2 1 0 -4.93652567584924 11958706 C1C=C(CC2C1C(=O)N(C2=O)CCC[N+]3=CC=CC=C3)Cl.[Br-] Br- 1 1.984 2 2 0 -0.578563974274574 11958705 CN(C)CC(CCCCC(CN(C)C)C(=O)C1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)OC.Cl Cl- 1 5.081 2 4 -2.91619395018513 11958703 CC[N+]1=C(SC2=CC=CC=C21)/C=C/NC3=CC=CC=C3.[I-] I- 1 4.433 2 0 12.7417602927769 11958702 C=CCOC1=C(C2=CC=CC=C2C=C1)CNCCCN3CCOCC3.Cl Cl- 1 2.765 2 2 -3.92388444270602 11958701 C1C2CC3CC1CC(C2)(C3)CCOC(=O)C[N+]4=CC=CC(=C4)C(=O)N.[Cl-] Cl- 1 2.939 2 3 -1.61626713959503 11958700 CCN1C(=C2C=CC(=CC2=N1)C(=O)NCC34CC5CC(C3)CC(C5)C4)OCC 1 4.305 3 2 -6.83542378471681 11958699 CCN1C(=C2C=CC(=CC2=N1)C(=O)NCCCCC3=CC=CC=C3)OCC 1 4.647 3 2 -10.1927457705927 11958698 CCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=CC=C3OC)OCC 1 3.921 3 3 -11.6268268717001 11958697 CCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=CO3)OCC 1 2.595 3 3 -10.8415663810211 11958696 CCCN1C(=C2C=CC(=CC2=N1)C(=O)NCCCCC3=CC=CC=C3)OCC 1 5.171 3 2 -10.6753118442392 11958695 CCOC1=C2C=CC(=CC2=NN1CCOC)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.702 3 5 0 -14.1350202792416 11958694 COCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC34CC5CC(C3)CC(C5)C4)OC 1 3.476 3 3 -9.89847804645334 11958693 CCOC1=C2C=CC(=CC2=NN1CCOC)C(=O)NCC3=CC=C(C=C3)OC 1 2.917 3 4 0 -12.5441217980296 11958692 CCOC1=C2C=CC(=CC2=NN1C)C(=O)NC3CCCC4=CC=CC=C34 1 4.081 3 2 -6.19981043889416 11958691 CCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=C(C=C3)OC)OCC 1 3.921 3 3 -9.51256904063417 11958690 CCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=CC=C3)OCC 1 3.937 3 2 -9.98546068490468 11958689 CCCN1C(=C2C=CC(=CC2=N1)C(=O)NCCC3=CC=C(C=C3)C)OCC 1 4.745 3 2 -8.44572821992051 11958688 CCOC1=C2C=CC(=CC2=NN1CCOC)C(=O)NCC3=CC=CC=C3 1 2.934 3 3 -13.1147433425745 11958687 CCOC1=C2C=CC(=CC2=NN1C)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F 1 5.185 3 3 -4.62783658031574 11958686 CCN1C(=C2C=CC(=CC2=N1)C(=O)NCC34CC5CC(C3)CC(C5)C4)OC 1 3.956 3 2 -6.6026585186186 11958685 CCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC 1 4.949 3 2 -7.8998251651259 11958684 CCCN1C(=C2C=CC(=CC2=N1)C(=O)N(CC)C3=CC=C(C=C3)OC)OCC 1 4.469 3 3 -8.00631978755571 11958683 CCOC1=C2C=CC(=CC2=NN1CCOC)C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 4.819 3 3 -11.7444391625404 11958682 CN1C(=C2C=CC(=CC2=N1)C(=O)NCCCCC3=CC=CC=C3)OC 1 3.95 3 2 -8.44388367130581 11958681 CN1C(=C2C=CC(=CC2=N1)C(=O)NC3CCCC4=CC=CC=C34)OCC=C 1 4.349 3 2 -9.83064160582484 11958680 CCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=C(C=C3)C)OCC 1 3.9 3 2 -8.68807970647859 11958679 CCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC4=C(C=C3)OCO4)OCC 1 3.705 3 4 0 -11.0057376215718 11958678 CCN1C(=C2C=CC(=CC2=N1)C(=O)NCCC3=CC=CS3)OC 1 3.053 3 2 -11.2223846224875 11958677 C1CC(OC1)CNC(=O)C2=C(C(=NO2)CSC3=CC=C(C=C3)F)C(=O)O 1 2.318 2 5 0 -8.24021050708621 11958676 COCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC 1 4.47 3 3 -11.1956446929606 11958675 CCN1C(=C2C=CC(=CC2=N1)C(=O)NCCC3=CC=C(C=C3)C)OCC 1 4.221 3 2 -7.96316214627402 11958674 CCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=C(C=C3)C)OCC 1 4.423 3 2 -9.17064578012508 11958673 CCOC1=C2C=CC(=CC2=NN1CCOC)C(=O)NCC3=CC=C(C=C3)C 1 3.42 3 3 -12.2999284377949 11958672 COC1=CC=C(C=C1)CCNC(=O)C2CC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.588 3 5 0 -10.0065160849921 11958670 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC=CC(=C2)OC)C(=O)O 1 3.066 2 5 0 -7.77087712715282 11958669 CCCCNC(=O)C1=C(C(=NO1)CSC2=C(C=CC(=C2)C)C)C(=O)O 1 4.054 2 4 -9.89459618615907 11958668 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC=CC3=CC=CC=C32)C(=O)O 1 3.99 2 4 -8.64447258389268 11958667 COC1=CC=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC=C 1 2.354 2 5 0 -8.73192997714607 11958666 CC1=CC(=CC(=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC=C)C 1 3.343 2 4 -9.48022308150467 11958665 C=CCNC(=O)C1=C(C(=NO1)CSC2=CC(=C(C=C2)F)F)C(=O)O 1 2.781 2 4 -8.37341433601812 11958664 CCC1=CC=CC=C1SCC2=NOC(=C2C(=O)O)C(=O)NCC=C 1 3.312 2 4 -13.8358505240623 11958663 COC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC=C 1 2.354 2 5 0 -9.3084584948516 11958662 C=CCNC(=O)C1=C(C(=NO1)CSC2=CC=CC3=CC=CC=C32)C(=O)O 1 3.278 2 4 -10.1820539515915 11958661 CC1=C(C=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC=C)C 1 3.343 2 4 -8.76775992263711 11958660 C=CCNC(=O)C1=C(C(=NO1)CSC2=CC(=CC=C2)Cl)C(=O)O 1 3.035 2 4 -7.45586705309621 11958659 CC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC=C 1 2.856 2 4 -7.79472779667021 11958658 CC(C)NC(=O)C1=C(C(=NO1)CSC2=CC=CC(=C2)F)C(=O)O 1 2.685 2 4 -7.75417681621483 11958657 CC(C)NC(=O)C1=C(C(=NO1)CSC2=CC=CC(=C2)OC)C(=O)O 1 2.463 2 5 0 -9.34953107997742 11958656 CC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)O)C(=O)NC(C)C 1 2.966 2 4 -7.83580038179603 11958655 CC(C)NC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)OC)C(=O)O 1 2.463 2 5 0 -8.77300256227189 11958654 CC(C)NC(=O)C1=C(C(=NO1)CSC2=CC(=C(C=C2)F)F)C(=O)O 1 2.891 2 4 -8.41448692114394 11958653 CC1=CC=CC=C1SCC2=NOC(=C2C(=O)O)C(=O)NC(C)C 1 2.966 2 4 -13.3033059743987 11958652 CC(C)NC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)Cl)C(=O)O 1 3.144 2 4 -6.53803766254093 11958651 CC1=CC(=CC(=C1)SCC2=NOC(=C2C(=O)O)C(=O)NC(C)C)C 1 3.452 2 4 -9.52129566663048 11958650 CCOC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC=C 1 2.703 2 5 0 -10.407561164524 11958649 CC1=CC=CC=C1SCC2=NOC(=C2C(=O)O)C(=O)NCC=C 1 2.856 2 4 -13.2622333892729 11958648 CC1=CC=C(C=C1)CCNC(=O)C23CN(CC2C(=NO3)C4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5 1 4.505 4 4 0 -2.96896594688583 11958647 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC=CC=C2)C(=O)O 1 3.082 2 4 -7.70454762561928 11958646 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC=CC=C2C)C(=O)O 1 3.568 2 4 -11.7246520215741 11958645 C1C2C(=NOC2(CN1CC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)OC(F)(F)F)C5=CC(=CC=C5)[N+](=O)[O-] 1 5.818 4 5 0 -0.112314593824987 11958644 C1CC(OC1)CNC(=O)C23CN(CC2C(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5 1 2.473 4 5 0 -8.17887520955328 11958643 COC1=CC=C(C=C1)CCNC(=O)C23CN(CC2C(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5 1 4.003 4 5 0 -3.38691058945756 11958642 C1C2C(=NOC2(CN1CC3=CC=CC=C3)C(=O)NCCC4=CC=CS4)C5=CC(=CC=C5)[N+](=O)[O-] 1 3.686 4 4 0 -6.42815379565334 11958641 C1C2C(=NOC2(CN1CC3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C6=CC(=CC=C6)[N+](=O)[O-] 1 3.466 4 6 0 -4.63880908281797 11958640 C1C2C(=NOC2(CN1CC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C(F)(F)F)C5=CC(=CC=C5)[N+](=O)[O-] 1 4.64 4 4 0 0.792049645961085 11958639 C1CCC(CC1)CNC(=O)C23CN(CC2C(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5 1 4.303 4 4 0 -3.82769581193835 11958638 C1C2C(=NOC2(CN1CC3=CC=CC=C3)C(=O)NCCCCC4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-] 1 4.932 4 4 0 -5.49655946668039 11958637 C1C2C(=NOC2(CN1CC3=CC=CC=C3)C(=O)NCC4=CC=CO4)C5=CC(=CC=C5)[N+](=O)[O-] 1 2.88 4 5 0 -4.91942558894199 11958636 CCCCN(CCCC)CCCNC(=O)C12CN(CC1C(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4 1 4.973 5 4 0 -5.70315412540628 11958635 C1C2C(=NOC2(CN1CC3=CC=CC=C3)C(=O)NCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC(=CC=C5)[N+](=O)[O-] 1 5.583 4 4 0 -2.24822796611672 11958634 COC1=CC=C(C=C1)CCNC(=O)C23CN(CC2C(=NO3)C4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5 1 4.003 4 5 0 -3.38193215602997 11958633 C1C2C(=NOC2(CN1CC3=CC=CC=C3)C(=O)NCCCCC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-] 1 4.932 4 4 0 -5.4915810332528 11958632 CC1=CC=C(C=C1)CNC(=O)C23CN(CC2C(=NO3)C4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5 1 4.184 4 4 0 -2.79873880794362 11958631 CC(C)CCNC(=O)C12CN(CC1C(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4 1 3.695 4 4 0 -7.48151632413235 11958630 C1C2C(=NOC2(CN1CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-] 1 3.698 4 4 0 -3.90658517477146 11958629 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC(=C(C=C2)F)F)C(=O)O 1 3.493 2 4 -6.83583296831935 11958628 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC=CC=C2CC)C(=O)O 1 4.024 2 4 -12.0799698531564 11958627 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC=CC(=C2)OCC)C(=O)O 1 3.414 2 5 0 -8.65168049361804 11958626 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC=CC=C2F)C(=O)O 1 3.288 2 4 -11.5478673002506 11958625 CC1=CC=CC=C1NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC=CO4)C 1 3.924 4 2 3.54010813375095 11958624 CC1=C(C=C(C=C1)Cl)NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC=CO4)C 1 4.588 4 2 5.91346352090637 11958623 CCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)Cl)C)C 1 5.564 4 1 0.821522958283529 11958622 CCCC(C)C(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)Cl)C)C 1 5.571 4 1 2.56012971635092 11958621 CCCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)Cl)C)C 1 6.02 4 1 0.764272840747164 11958620 CCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=C(C=C3)Cl)C 1 4.166 4 1 -0.112616013815107 11958619 CCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=C(C=C3)Cl)C 1 4.622 4 1 1.30897054067023 11958618 CC1=C(SC(=N1)NC(=O)CCC=C)C2=CSC(=N2)NC3=CC=C(C=C3)Cl 1 4.231 4 1 1.46662817325303 11958617 CCC(C)C(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=C(C=C3)Cl)C 1 4.628 4 1 3.52614418500769 11958616 CC1=C(SC(=N1)NC(=O)CC(C)C)C2=CSC(=N2)NC3=CC=C(C=C3)Cl 1 4.417 4 1 1.3363609376668 11958615 CCCC(C)C(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=C(C=C3)Cl)C 1 5.084 4 1 2.40508958909075 11958614 CC1=C(SC(=N1)NC(=O)CC(C)C)C2=CSC(=N2)NC3=C(C=C(C=C3)Cl)Cl 1 5.082 4 1 2.21001644543288 11958613 CCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)Cl)OC)C 1 4.605 4 2 0.532722022718832 11958612 CCC(C)C(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)Cl)OC)C 1 4.612 4 2 2.74989566705629 11958611 CC1=C(SC(=N1)NC(=O)C(C)(C)C)C2=CSC(=N2)NC3=C(C=CC(=C3)Cl)OC 1 4.572 4 2 -1.17443166811872 11958610 CC1=C(SC(=N1)NC(=O)CC(C)C)C2=CSC(=N2)NC3=C(C=CC(=C3)Cl)OC 1 4.401 4 2 0.560112419715403 11958609 CCCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)Cl)OC)C 1 5.518 4 2 -0.167015804464399 11958608 CC1=C(SC(=N1)NC(=O)CCC=C)C2=CSC(=N2)NC3=CC(=CC=C3)OC 1 3.55 4 2 -1.88900802576714e-002 11958607 CCCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC(=CC=C3)OC)C 1 4.853 4 2 -0.876285540023699 11958606 CCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=CC=C3OC)C 1 3.485 4 2 -3.44698403161475 11958605 CCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=CC=C3OC)C 1 3.941 4 2 -2.02539747712942 11958604 CC1=C(SC(=N1)NC(=O)CCC=C)C2=CSC(=N2)NC3=CC=CC=C3OC 1 3.55 4 2 -1.86773984454662 11958603 COC1=CC=C(C=C1)CNC(=O)C23CN(CC2C(=NO3)C4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5 1 3.682 4 5 0 -3.21170501708776 11958602 CC1=CC=C(O1)CNC(=O)C23CN(CC2C(=NO3)C4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5 1 3.025 4 5 0 -2.96462283758101 11958601 C=CCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)F)C(=O)O 1 2.576 2 4 -7.60708674253668 11958600 C=CCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)Cl)C(=O)O 1 3.035 2 4 -6.49696507741511 11958599 CC(C)C1=CC=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3 1 3.306 2 5 0 -8.66862783589983 11958598 CC1=C(C=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3)C 1 3.084 2 5 0 -9.40088368718664 11958597 C1CC(OC1)CNC(=O)C2=C(C(=NO2)CSC3=CC=C(C=C3)Cl)C(=O)O 1 2.777 2 5 0 -7.13008884196464 11958596 CC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3 1 2.598 2 5 0 -8.42785156121974 11958595 C1CC(OC1)CNC(=O)C2=C(C(=NO2)CSC3=CC=CC=C3)C(=O)O 1 2.112 2 5 0 -9.87525275786758 11958594 CC1=CC=CC=C1SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3 1 2.598 2 5 0 -13.8953571538224 11958593 CC1=CC(=CC(=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3)C 1 3.084 2 5 0 -10.1133468460542 11958592 C1CC(OC1)CNC(=O)C2=C(C(=NO2)CSC3=CC(=C(C=C3)F)F)C(=O)O 1 2.523 2 5 0 -9.00653810056765 11958591 CCC1=CC=CC=C1SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3 1 3.054 2 5 0 -14.4689742886119 11958590 CCOC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3 1 2.445 2 6 0 -11.0406849290735 11958589 C1CC(OC1)CNC(=O)C2=C(C(=NO2)CSC3=CC(=CC=C3)Cl)C(=O)O 1 2.777 2 5 0 -8.08899081764575 11958588 C1CC(OC1)CNC(=O)C2=C(C(=NO2)CSC3=CC=CC4=CC=CC=C43)C(=O)O 1 3.02 2 5 0 -10.815177716141 11958587 CC(C)C1=CC=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCCOC 1 2.817 2 5 0 -7.21334900702125 11958586 COCCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)Cl)C(=O)O 1 2.287 2 5 0 -5.67481001308607 11958585 CC1=CC=CC=C1SCC2=NOC(=C2C(=O)O)C(=O)NCCOC 1 2.109 2 5 0 -12.4400783249438 11958584 CC1=CC(=CC(=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCCOC)C 1 2.595 2 5 0 -8.65806801717562 11958583 CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC=CO4)C 1 3.924 4 2 3.74812810872558 11958582 CCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=CC=C3C)C 1 3.987 4 1 -2.23353704718558 11958581 C1[C@H](N(CC12CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4)C(=O)NCC(=O)N 1 0.382 5 6 0 -8.83226853545262 11958580 COC1=CC=C(C=C1)C(=O)N2CC3(C[C@H]2C(=O)NCC(=O)N)CC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-] 1 0.366 5 7 0 -8.35219295056263 11958579 CC1(CC1)C(=O)N2CC3(C[C@H]2C(=O)NCC(=O)N)CC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-] 1 -0.108 5 6 0 -8.14808228981959 11958578 CCC(=O)N1CC2(C[C@H]1C(=O)NCC(=O)N)CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-] 1 -0.615 5 6 0 -9.34263970429057 11958577 C1CC(=O)N[C@@H]1C(=O)NC2=CC=CC(=C2)C3=NOC4(C3)C[C@H](N(C4)C(=O)C5=NC=CN=C5)C(=O)NC6(CC6)C(=O)N 1 -2.255 8 6 0 -16.8399978860712 11958576 C1[C@H](N(CC12CC(=NO2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C(=O)NCC(=O)N 1 1.152 4 4 0 -5.62014219311552 11958575 C1[C@H](N(CC12CC(=NO2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Br)C(=O)NCC(=O)N 1 1.9 4 4 0 -4.4591556801208 11958574 C1[C@H](N(CC12CC(=NO2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Br)C(=O)NCC(=O)N 1 1.236 4 4 0 -6.75567078702282 11958573 C1[C@H](N(CC12CC(=NO2)C3=CC(=CC=C3)Br)C(=O)C4=CC=C(C=C4)Br)C(=O)NCC(=O)N 1 1.984 4 4 0 -4.41762050188428 11958572 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NC3CCCC4=CC=CC=C34)OCC 1 5.409 3 2 -10.9725378941857 11958571 CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC=CC=C4)C 1 4.529 4 1 2.04662814302944 11958570 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=CC(=CC=C4)OC 1 4.026 4 2 2.47401094791458 11958569 COCCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3 1 2.99 3 4 0 -10.2314458373029 11958568 COCCNC(=O)C1=C(C(=NO1)CSC2=CC(=C(C=C2)F)F)C(=O)O 1 2.033 2 5 0 -7.55125927168907 11958567 CCOC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCCOC 1 1.955 2 6 0 -9.51436315155987 11958566 COCCNC(=O)C1=C(C(=NO1)CSC2=CC=CC=C2F)C(=O)O 1 1.828 2 5 0 -12.2632936036204 11958562 CC1=CC=C(O1)CNC(=O)C2CC(=NO2)C3=CC=CC=C3[N+](=O)[O-] 1 1.61 3 5 0 -10.1465722385721 11958561 C1C(ON=C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCCCCC3=CC=CC=C3 1 3.517 3 4 0 -12.5007655524681 11958560 C1CC1CNC(=O)C2=CC=C(C=C2)NC3=NC4=C(N3)C=C(C=C4)Br 1 3.576 4 1 -3.22399825152622 11958559 C1=CC(=CC(=C1)NC2=NC3=C(N2)C=C(C=C3)Br)C(=O)NCC4=CC=CO4 1 3.521 4 2 -5.01709646258094 11958558 C1=CSC(=C1)CCNC(=O)CC2=CC=C(C=C2)NC3=NC4=C(N3)C=C(C=C4)Br 1 4.363 4 1 -7.58169685236415 11958557 COC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CO3 1 3.409 2 5 0 -7.49615049011805 11958556 CC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)OC)C(=O)NCC3=CC=CO3 1 3.23 2 5 0 -8.89130743589793 11958555 COC(=O)C1=C(ON=C1CCl)C(=O)NCC=C 1 1.071 2 4 0 -11.8798432800388 11958554 CCCCNC(=O)C1=C(C(=NO1)CCl)C(=O)OC 1 1.782 2 4 0 -10.34226191234 11958553 COC(=O)C1=C(ON=C1CCl)C(=O)NCC2CCCO2 1 0.812 2 5 0 -12.5129670445883 11958552 CC(C)NC(=O)C1=C(C(=NO1)CCl)C(=O)OC 1 1.18 2 4 0 -11.9209158651646 11958551 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC(=C(C=C2)C)C)C(=O)O 1 4.054 2 4 -7.23017855493834 11958550 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)Cl)C(=O)O 1 3.746 2 4 -4.95938370971635 11958549 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)OC)C(=O)O 1 3.066 2 5 0 -7.1943486094473 11958548 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)F)C(=O)O 1 3.288 2 4 -6.06950537483791 11958547 CCOC1=CC=CC=C1NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC(=CC=C4)Cl)C 1 5.039 4 2 3.10047144639965 11958546 CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)Cl)C3=CSC(=N3)NC4=CC(=CC=C4)Cl 1 5.371 4 1 5.47203693422253 11958545 C1C(ON=C1C2=C(C=CC=C2Cl)Cl)C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 5.602 2 2 -8.42970108321986 11958544 COC1=CC=C(C=C1)CCNC(=O)C2CC(=NO2)C3=C(C=CC=C3Cl)Cl 1 4.022 2 3 -9.79524774753891 11958543 C1C(ON=C1C2=C(C=CC=C2Cl)Cl)C(=O)NCC3=CC=C(C=C3)C(F)(F)F 1 4.66 2 2 -5.52926137536369 11958542 C1C(ON=C1C2=C(C=CC=C2Cl)Cl)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F 1 5.837 2 3 -6.43362561514976 11958541 C1C(ON=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CC=CS3 1 2.271 3 4 0 -13.0855376181596 11958540 CC1=CC=C(C=C1)CNC(=O)C2CC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.769 3 4 0 -9.33629660014915 11958539 C1C(ON=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCCCC3=CC=CC=C3 1 3.517 3 4 0 -11.8231335001667 11958538 C1C(ON=C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCCC3=CC=CS3 1 2.271 3 4 0 -12.3812674825527 11958537 C1C(ON=C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 4.168 3 4 0 -7.97914296276293 11958536 CC1=CC=C(C=C1)CNC(=O)C2CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.769 3 4 0 -8.53463223801742 11958535 COC1=CC=C(C=C1)CCNC(=O)C2CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.588 3 5 0 -9.20485172286034 11958534 CC1=CC=C(O1)CNC(=O)C2CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.61 3 5 0 -8.83568882115135 11958533 CC(C)CCNC(=O)C1CC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.28 3 4 0 -13.4396084444593 11958532 C1C(ON=C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCCCCC3=CC=CC=C3 1 3.517 3 4 0 -11.1188633645597 11958531 COCCNC(=O)C1CC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-] 1 0.569 3 5 0 -12.5995505177795 11958530 CCCCNC(=O)C1CC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.028 3 4 0 -11.8841242144097 11958529 CCCCN(CCCC)CCCNC(=O)C1CC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.558 4 4 0 -11.6562678123056 11958527 CN(C)C1=CC=C(C=C1)C=NNC2=NC(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/S2 1 3.904 5 3 0 -8.23408368280808 11958525 CC1=C(SC(=N1)NC(=O)C2=CC=CO2)C3=CSC(=N3)NC4=CC=CC=C4OC 1 3.421 4 3 0 2.32666114932178 11958524 CCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)OC)OC)C 1 4.381 4 3 0 -2.38988672449143 11958522 CC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCCOC 1 2.109 2 5 0 -6.97257273234117 11958521 C1CC(OC1)CNC(=O)C2=C(C(=NO2)CSC3=CC=CC=C3F)C(=O)O 1 2.318 2 5 0 -13.7185724324989 11958520 COC1=CC=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3 1 2.096 2 6 0 -9.3650537416956 11958519 C=CCNC(=O)C1=C(C(=NO1)CSC2=CC=CC=C2F)C(=O)O 1 2.576 2 4 -13.0854486679494 11958518 C=CCNC(=O)C1=C(C(=NO1)CSC2=CC=CC=C2)C(=O)O 1 2.37 2 4 -9.24212899331805 11958517 CC(C)C1=CC=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NC(C)C 1 3.674 2 4 -7.69401113815923 11958516 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC(=CC(=C2)C)C)C(=O)O 1 4.054 2 4 -7.9426417138059 11958515 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC(=CC=C2)Cl)C(=O)O 1 3.746 2 4 -5.91828568539744 11958514 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)C(C)C)C(=O)O 1 4.276 2 4 -6.49792270365153 11958513 CC1=C(C=C(C=C1)SCC2=NOC(=C2C(=O)OC)C(=O)NCC3=CC=C(C=C3)OC)C 1 4.518 2 5 0 -7.85765202103221 11958512 CC1=C(C=C(C=C1)Cl)NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C(C)(C)C)C 1 5.075 4 1 -0.243143022907153 11958511 CC1(CC1)C(=O)N2CC3(C[C@H]2C(=O)NCC(=O)N)CC(=NO3)C4=CC=CC=C4 1 -2.e-003 4 4 0 -7.32986528090929 11958510 C1CC(=O)N[C@@H]1C(=O)NC2=CC=CC(=C2)C3=NOC4(C3)C[C@H](N(C4)C(=O)C5=CC=CC=C5)C(=O)NC6(CC6)C(=O)N 1 -0.382 6 6 0 -13.4779114075241 11958509 CC1=CC(=C(C=C1)C)SCC2=NOC(=C2C(=O)O)C(=O)NCCOC 1 2.595 2 5 0 -10.6100224895288 11958508 C1COCCN1CCCNC(=O)C2=C(ON=C2CSC3=CC=C(C=C3)F)C(=O)NCC4=CC=CC=C4 1 3.009 4 4 0 -9.60861408680737 11958507 CC1=CC=C(C=C1)CNC(=O)C23CN(CC2C(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5 1 4.184 4 4 0 -2.80371724137121 11958506 C1C2C(=NOC2(CN1CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4C(F)(F)F)C5=CC=C(C=C5)[N+](=O)[O-] 1 4.64 4 4 0 -2.38964459984236 11958505 CCN1CCN(CC1)C2=CC(=NC(=N2)C3=CC=C(C=C3)OC)SC(C)C.Cl Cl- 1 4.469 4 1 3.88837330842636 11958504 C1C(ON=C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCCC3=CC=CS3 1 2.271 3 4 0 -13.6921508999734 11958503 C1C(ON=C1C2=C(C=CC=C2Cl)Cl)C(=O)NCC3=CC(=CC=C3)C(F)(F)F 1 4.66 2 2 -6.32210925757197 11958502 CCCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=CC=C3OC)C 1 4.853 4 2 -2.72513530431265 11958501 CC1=C(SC(=N1)NC(=O)C(C)(C)C)C2=CSC(=N2)NC3=CC=CC=C3OC 1 3.908 4 2 -3.73255116796696 11958500 CC1=C(SC(=N1)NC(=O)CC(C)C)C2=CSC(=N2)NC3=CC(=CC=C3)OC 1 3.737 4 2 -0.149157315843898 11958499 CC1=CC(=C(C=C1)C)SCC2=NOC(=C2C(=O)O)C(=O)NC(C)C 1 3.452 2 4 -11.4732501389837 11958498 COCCNC(=O)C1=C(C(=NO1)CSC2=CC=CC=C2)C(=O)O 1 1.622 2 5 0 -8.419973928989 11958497 CC(C)NC(=O)C1=C(C(=NO1)CSC2=CC=CC=C2F)C(=O)O 1 2.685 2 4 -13.1265212530752 11958496 CC1=CC(=C(C=C1)C)SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3 1 3.084 2 5 0 -12.0653013184074 11958494 CCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC34CC5CC(C3)CC(C5)C4)OCC 1 4.828 3 2 -7.3179898583633 11958493 CCOC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)O)C(=O)NC(C)C 1 2.812 2 5 0 -10.4486337496498 11958492 CCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=C(C=C3)Cl)C 1 5.078 4 1 0.666482831023365 11958491 CC1=CC=C(C=C1)CCNC(=O)C23CN(CC2C(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5 1 4.505 4 4 0 -2.97394438031342 11958490 CC1=CC=CC=C1NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC=CC=C4)C 1 4.529 4 1 1.76758939756718 11958489 C1CC(=O)N[C@H]1C(=O)N2CC3(C[C@@H]2C(=O)N)CC(=NO3)C4=CC(=CC=C4)NC(=O)C5=CC=CC=C5 1 -1.e-003 5 5 0 -13.6202889411712 11958488 COC1=CC=C(C=C1)C(=O)N2CC3(C[C@H]2C(=O)NCC(=O)N)CC(=NO3)C4=CC=C(C=C4)Cl 1 1.136 4 5 0 -5.23746083475032 11958487 COCCNC(=O)C1=C(C(=NO1)CSC2=CC(=CC=C2)Cl)C(=O)O 1 2.287 2 5 0 -6.63371198876716 11958486 CCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC4=C(C=C3)OCO4)OCC 1 3.182 3 4 0 -10.5231715479253 11958485 CC1=CC=C(C=C1)CNC(=O)C2=CC3=NN(C(=C3C=C2)OCC=C)C 1 3.819 3 2 -11.0211133434277 11958484 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F)OCC 1 6.278 3 2 -8.81263460263063 11958483 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)N(CC)C3=CC=C(C=C3)OC)OCC 1 4.925 3 3 -10.9986836392192 11958482 CC1=C(SC(=N1)NC(=O)CCC=C)C2=CSC(=N2)NC3=C(C=CC(=C3)Cl)OC 1 4.215 4 2 0.690379655301629 11958481 CCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)Cl)OC)C 1 5.062 4 2 -0.109765686928035 11958480 CC1=C(SC(=N1)NC(=O)CC(C)C)C2=CSC(=N2)NC3=C(C=CC(=C3)OC)OC 1 3.72 4 3 0 -1.72000861784799 11958479 COCCNC(=O)C1=C(C(=NO1)CCl)C(=O)OC 1 0.323 2 5 0 -10.8889153668003 11958478 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC=CC(=C2)C)C(=O)O 1 3.568 2 4 -6.25714642897144 11958477 CCCCNC(=O)C1=C(C(=NO1)CSC2=CC=CC(=C2)F)C(=O)O 1 3.288 2 4 -6.17552286339024 11958476 CC1=CC(=C(C=C1)C)SCC2=NOC(=C2C(=O)O)C(=O)NCC=C 1 3.343 2 4 -11.4321775538578 11958475 CC(C)C1=CC=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC=C 1 3.564 2 4 -8.0355040713503 11958474 CC(C)NC(=O)C1=C(C(=NO1)CSC2=CC=CC3=CC=CC=C32)C(=O)O 1 3.388 2 4 -10.2231265367173 11958473 CC(C)NC(=O)C1=C(C(=NO1)CSC2=CC(=CC=C2)Cl)C(=O)O 1 3.144 2 4 -7.49693963822203 11958472 CC(C)NC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)F)C(=O)O 1 2.685 2 4 -7.6481593276625 11958471 CC(C)NC(=O)C1=C(C(=NO1)CSC2=CC=CC=C2)C(=O)O 1 2.48 2 4 -9.28320157844387 11958470 COC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3 1 2.096 2 6 0 -9.94158225940112 11958469 CC1=C(C=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCCOC)C 1 2.595 2 5 0 -7.94560485830806 11958468 C1=CC(=CC(=C1)NC2=NC3=C(N2)C=C(C=C3)Br)C(=O)NCC4=CC=CS4 1 4.08 4 1 -5.71186163021553 11958467 CCCCNC(=O)C1CC(=NO1)C2=C(C=CC=C2Cl)Cl 1 3.463 2 2 -12.4745202390883 11958466 COC1=CC=CC=C1CNC(=O)C2CC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.267 3 5 0 -11.8635206403592 11958465 COCCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)F)C(=O)NCC=C 1 2.023 3 4 0 -13.3215334407111 11958464 COCCNC(=O)C1=C(C(=NO1)CSC2=CC=CC(=C2)OC)C(=O)O 1 1.606 2 6 0 -8.31753058161311 11958463 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NC[C@@H]3CCCO3)OCC 1 3.169 3 3 -16.7010359045258 11958462 CCN(C1=CC=C(C=C1)OC)C(=O)C2=CC3=NN(C(=C3C=C2)OCC=C)C 1 3.864 3 3 -10.0750866540655 11958461 CCC(C)C(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=CC=C3OC)C 1 3.947 4 2 0.191776167208041 11958460 CC1=C(SC(=N1)NC(=O)CC(C)C)C2=CSC(=N2)NC3=CC=CC=C3OC 1 3.737 4 2 -1.99800708013284 11958459 CCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=CC=C3OC)C 1 4.397 4 2 -2.66788518677628 11958458 CCCC(C)C(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=CC=C3OC)C 1 4.404 4 2 -0.929278428708893 11958457 CCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)OC)OC)C 1 3.468 4 3 0 -3.1689855693299 11958456 CCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)OC)OC)C 1 3.925 4 3 0 -1.74739901484456 11958455 CC1=C(SC(=N1)NC(=O)CCC=C)C2=CSC(=N2)NC3=C(C=CC(=C3)OC)OC 1 3.534 4 3 0 -1.58974138226176 11958454 CCC(C)C(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)OC)OC)C 1 3.931 4 3 0 0.469774629492893 11958453 CC1=C(SC(=N1)NC(=O)C(C)(C)C)C2=CSC(=N2)NC3=C(C=CC(=C3)OC)OC 1 3.892 4 3 0 -3.45455270568211 11958452 CCCC(C)C(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)OC)OC)C 1 4.387 4 3 0 -0.651279966424041 11958451 CCCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)OC)OC)C 1 4.837 4 3 0 -2.44713684202779 11958450 CCOC1=CC=CC=C1NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC=CO4)C 1 3.77 4 3 0 1.53341040044179 11958449 CCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=CC=C3OCC)C 1 4.746 4 2 -3.24283663244912 11958448 CC1=C(C=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NC(C)C)C 1 3.452 2 4 -8.80883250776293 11958447 COC1=CC=C(C=C1)CNC(=O)C2CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.267 3 5 0 -8.94759844716156 11958446 COCCNC(=O)C1CC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.569 3 5 0 -13.4012148799112 11958445 COC1=CC=CC=C1CNC(=O)C2CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.267 3 5 0 -11.1592505047523 11958444 C1C(ON=C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCC3=CC=CO3 1 1.465 3 5 0 -10.7855131390847 11958443 C1CC2=CC=CC=C2C1NC(=O)C34CN(CC3C(=NO4)C5=CC(=CC=C5)[N+](=O)[O-])CC6=CC=CC=C6 1 4.258 4 4 0 -3.54278866956796 11958442 C1C2C(=NOC2(CN1CC3=CC=CC=C3)C(=O)NCC4=CC=CO4)C5=CC=C(C=C5)[N+](=O)[O-] 1 2.88 4 5 0 -4.9144471555144 11958441 CC1=C(SC(=N1)NC(=O)C2=CC=CO2)C3=CSC(=N3)NC4=CC=C(C=C4)Cl 1 4.102 4 2 5.7584233936462 11958440 CCCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=C(C=C3)Cl)C 1 5.534 4 1 0.609232713487 11958439 CC1=CC=CC=C1OCC(=O)NN=C(C)/C=C/C2=CC3=C(C=C2)OCO3 1 3.211 2 4 -5.04129071021959 11958438 CCN1C(=C2C=CC(=CC2=N1)C(=O)N(CC)C3=CC=C(C=C3)OC)OC 1 3.596 3 3 -7.19325854753663 11958437 CCOC1=C2C=CC(=CC2=NN1C)C(=O)NCCCCC3=CC=CC=C3 1 4.298 3 2 -8.89494824061117 11958436 CCN1C(=C2C=CC(=CC2=N1)C(=O)NCCC3=CC=CS3)OCC 1 3.402 3 2 -11.4551498885857 11958435 CCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F)OCC 1 5.534 3 3 -5.92563411029732 11958434 CCCCNC(=O)C1=CC2=NN(C(=C2C=C1)OCC)CCCC 1 4.139 3 2 -13.6873862496753 11958433 CCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=CC=C3OC)OCC 1 3.397 3 3 -11.1442607980536 11958432 CCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F)OCC 1 6.057 3 3 -6.40820018394381 11958431 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC34CC5CC(C3)CC(C5)C4)OC 1 4.936 3 2 -10.0775884439286 11958430 CC1=CC=C(C=C1)CCNC(=O)C2=CC3=NN(C(=C3C=C2)OCC=C)C 1 4.14 3 2 -10.2961957832231 11958429 CN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC 1 4.601 3 2 -6.38372833193717 11958428 CC1=C(SC(=N1)NC(=O)CCC=C)C2=CSC(=N2)NC3=C(C=C(C=C3)Cl)Cl 1 4.896 4 1 2.34028368101911 11958427 CCOC1=C2C=CC(=CC2=NN1C)C(=O)NCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F 1 4.949 3 2 -4.03990714733907 11958426 CCCC(C)NNC(=O)C1=CC2=CC=CC=C2N1 1 2.837 3 1 -1.72725272425069 11958425 CCCN1C(=C2C=CC(=CC2=N1)C(=O)NC3CCC4=CC=CC=C34)OCC 1 4.497 3 2 -8.87307992956717 11958424 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC 1 5.929 3 2 -11.3747550904359 11958423 CCCN1C(=C2C=CC(=CC2=N1)C(=O)NCCC3=CC=CS3)OCC 1 3.926 3 2 -11.9377159622322 11958422 CCOC1=C2C=CC(=CC2=NN1C)C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 4.949 3 2 -6.83479290124253 11958421 CCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=C(C=C3)C)OC 1 4.075 3 2 -8.93788051402688 11958420 CN1CCC2=C(C1)C(=C3C=C(C=CC3=N2)F)C(=O)N.Cl Cl- 1 1.514 3 1 0 2.30689743755625 11958418 CCCN1C(=C2C=CC(=CC2=N1)C(=O)NC3CCCC4=CC=CC=C34)OCC 1 4.953 3 2 -7.98017404252223 11958417 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=CC=C3OC)OCC 1 4.377 3 3 -14.6191907233636 11958416 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC4=C(C=C3)OCO4)OCC 1 4.162 3 4 0 -13.9981014732353 11958415 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCCC3=CC=C(C=C3)C)OCC 1 5.201 3 2 -11.438092071584 11958414 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCCCCC3=CC=CC=C3)OCC 1 5.627 3 2 -13.512209702365 11958413 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F)OCC 1 6.513 3 3 -9.4005640356073 11958412 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)N[C@H](C)C3CCCCC3)OCC 1 5.376 3 2 -15.0666467497551 11958411 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC34CC5CC(C3)CC(C5)C4)OCC 1 5.285 3 2 -10.3103537100268 11958409 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NC3CCC4=CC=CC=C34)OCC 1 4.953 3 2 -11.8654437812307 11958408 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCCC3=CC=CS3)OCC 1 4.382 3 2 -14.9300798138957 11958407 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3CC3)OCC 1 3.63 3 2 -12.3953357266263 11958406 CCN1C(=C2C=CC(=CC2=N1)C(=O)NC3CCCC4=CC=CC=C34)OCC 1 4.429 3 2 -7.49760796887574 11958405 CCOC1=C2C=CC(=CC2=NN1C)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.833 3 4 0 -9.22537401794377 11958404 CCN1C(=C2C=CC(=CC2=N1)C(=O)N[C@H](C)C3CCCCC3)OCC 1 4.396 3 2 -11.5917168244451 11958403 CCOC1=C2C=CC(=CC2=NN1CCOC)C(=O)N[C@H](C)C3CCCCC3 1 3.917 3 3 -15.2035655557613 11958402 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=CC=C3)OCC 1 4.394 3 2 -12.9778245365682 11958401 CCCOC1=CC=C(C=C1)C(=O)N2CC3(C[C@H]2C(=O)NC4(CC4)C(=O)N)CC(=NO3)C5=CC(=CC=C5)NC(=O)[C@@H]6CCC(=O)N6 1 0.474 6 7 0 -13.3090701903289 11958400 CC(=C)C(=O)N1CC2(C[C@@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4 1 1.692 4 4 0 -7.69390217461463 11958399 CCCCCC(=O)N1CC2(C[C@@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4 1 2.584 4 4 0 -11.1256418438108 11958398 C1CC(=O)N[C@@H]1C(=O)NC2=CC=CC(=C2)C3=NOC4(C3)C[C@H](N(C4)C(=O)C5=CC=CC=C5)C(=O)N[C@@H](CC6=CC7=CC=CC=C7S6)C(=O)N 1 1.965 6 6 0 -9.89664011437547 11958397 C1CC(=O)N[C@@H]1C(=O)NC2=CC=CC(=C2)C3=NOC4(C3)C[C@H](N(C4)C(=O)/C=C/C5=C(C=CC=C5Cl)F)C(=O)N[C@@H](CC6=CC7=CC=CC=C7S6)C(=O)N 1 3.303 6 6 0 -8.88308906266607 11958396 C1CC(=O)N[C@@H]1C(=O)NC2=CC=CC(=C2)C3=NOC4(C3)C[C@H](N(C4)C(=O)CC5=CC=C(C=C5)C(F)(F)F)C(=O)NC6(CC6)C(=O)N 1 0.595 6 6 0 -9.9930327713245 11958395 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OCC 1 6.278 3 2 -11.6075203565341 11958394 CC/C=C/C(=O)N1CC2(C[C@@H]1C(=O)N)CC(=NO2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4 1 2.104 4 4 0 -4.86552735579316 11958393 CCCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=CO3)OCC 1 3.575 3 3 -14.3164963063311 11958392 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CC=CC=C3Br 1 4.385 1 1 -5.36050059669127 11958391 CCOC1=C2C=CC(=CC2=NN1CCOC)C(=O)NCC3=CC=CO3 1 2.116 3 4 0 -14.4534151123374 11958390 C1=CC(=CC(=C1)Cl)CNCCC2=CC=C(C=C2)F.Cl Cl- 1 4.142 1 0 5.24292964088187 11958389 CCCCCNCC1=CC=C(C=C1)Br.Cl Cl- 1 3.901 1 0 -0.472367111775273 11958388 C1CCC2=C(C1)N=C(S2)NN=CC3=C(C=C(C=C3)Cl)Cl.Cl Cl- 1 4.527 3 0 2.34286804299215 11958387 CC(=NNC1=NC2=C(S1)CCCC2)C3=CC=C(C=C3)Cl.Cl Cl- 1 3.844 3 0 -2.33776705059378 11958386 CCOC1=C(C(=CC(=C1)CNCCO)Br)OCC2=CC=CC=C2Cl.Cl Cl- 1 4.14 1 3 -1.68842701175991 11958385 C1=CC=C(C=C1)COC2=CC=CC3=C2N=C(C=C3)C=NNC(=O)C4=CC=C(C=C4)Br 1 5.613 3 2 -6.93435922341689 11958384 CCCCCCNCC1=CC(=CC=C1)Br.Cl Cl- 1 4.357 1 0 -0.643965486597164 11958383 CCCCCCNCC1=CC=C(C=C1)Br.Cl Cl- 1 4.357 1 0 -0.529617229311637 11958382 CCCCCNCC1=CC(=CC=C1)Br.Cl Cl- 1 3.901 1 0 -0.586715369060799 11958381 CCOC(=O)C1=CN=C2/C(=N/NC3=CC=CC=C3)/C(=NN2C1=N)N 1 0.617 7 2 0 -8.82533910230424 11958380 CC(C#CCN1CCCCC1)OCCOCC2=CC=CC=C2.Cl Cl- 1 3.526 1 2 -1.13312108950214 11958379 CCOC1=C(C(=CC(=C1)CNCC2=CC=CS2)Br)OC.Cl Cl- 1 3.755 1 2 -3.47681170667485 11958378 C1=CC(=CC=C1CCNCC2=CC(=C(C=C2)Cl)Cl)F.Cl Cl- 1 4.806 1 0 4.52350595565153 11958377 C1=CC=C(C=C1)COC2=CC=CC3=C2N=C(C=C3)C=NNC(=O)C4=CC=C(C=C4)Cl 1 5.529 3 2 -5.47769947831545 11958376 CCN(CCO)CC1=CSC2=C1C(=CC=C2)Br.Cl Cl- 1 3.323 1 1 4.80464165220053 11958375 CC1=CC(=C(C=C1)C)NC(=O)C(C)CC2COCCO2 1 2.407 1 3 -14.9289682924282 11958374 CC1CC(=O)NN=C1C2=CC=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)OC 1 2.573 4 3 0 -12.7292244848293 11958373 COC1=CC=CC=C1OCCN2C(=O)/C(=C/C3=CC=CO3)/SC2=O 1 3.159 1 5 -4.80589752438536 11958372 CC1(C(N(C(=S)S1)NC(=O)NC2=CC=CC=C2)N(C(=O)NC3=CC=CC=C3)O)C 1 3.923 5 3 0 -5.1120280612521 11958371 CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=C(C=C(C=C1)C(C(=O)OCC)(C(F)(F)F)O)C 1 3.996 2 6 0 -12.0703136039121 11958370 CC1(C2CCC1(C(=NNC3=NC(=O)/C(=C\C4=CC=C(C=C4)OC)/S3)C2)C)C 1 4.318 3 2 -3.69984595594396 11958369 CCOC1=C(C(=CC(=C1)CNCCO)Br)OCC2=CC=C(C=C2)Cl.Cl Cl- 1 4.14 1 3 -1.23138904936809e-002 11958368 CCC1=CC=CC(=C1NC(=O)C(C2=CC=CC=C2)N3CCC3=O)C 1 3.297 2 2 -12.3972220186921 11958367 CC(C)C(C(=O)NN=C(C)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2 1 3.05 3 2 -20.3587943309357 11958363 CCCOC1=NC(=C2C(=C1)C(=C(N=C2N)N3CCCC3)C#N)N 1 2.458 6 1 0 -3.92130269604167 11958362 CCOC1=NC(=C2C(=C1)C(=C(N=C2N)N3CCCC3)C#N)N 1 1.934 6 1 0 -4.93438135179068 11957728 C[N+]1(C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43)C.[I-] I- 1 1.253 2 2 0 -4.8947718490784 11957712 CN([C@@H]1CC[C@]2(CCCO2)C[C@H]1N3CCCC3)C(=O)CC4=CC=CC=C4 1 2.674 2 2 -3.74882670280003 11957706 C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3.Br Br- 1 3.295 1 2 -0.331336059577031 11957705 CCN(CC)CCOC(=O)C1=CC(=C(C=C1OC)N)Cl.Cl Cl- 1 2.423 2 3 -3.65637852284112 11957703 C=CCN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O.Br Br- 1 3.783 1 2 -3.0291039153883 11957695 C1C(C2=C(CN1)SC=C2)C3=CC(=C(C=C3)O)O.Br Br- 1 2.049 1 2 0.782191289645778 11957690 C[C@@H](CN1CCC(CC1)CC2=CC=CC=C2)[C@H](C3=CC=C(C=C3)O)O.Cl Cl- 1 4.319 1 2 3.82656108986345 11957689 CN=C1N=C(N(S1)C2=CC=CC=C2)C3=CC=CC=C3.Br Br- 1 3.476 3 0 2.38245374306064 11957685 CC1=CC=CC(=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)C.Br Br- 1 4.317 1 2 6.53753819725316 11957684 CC1CCN(CC1)CC[C@H]2CCCN2S(=O)(=O)C3=CC=CC(=C3)O.Cl Cl- 1 2.564 2 3 -7.68483310321964 11957683 COC1(COC2=CC=CC=C2O1)C3=NCCN3.Cl Cl- 1 1.015 2 3 0 -6.46716336453658 11957616 CC(CC1=CC=C(C=C1)O)(C(=O)OC)N.Cl Cl- 1 1.169 1 3 0 6.03948672539735e-002 11957618 C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)Cl.Cl Cl- 1 3.539 4 0 7.75135331343407 11957621 COC1=C(C=CC(=C1)CCN)O.Cl Cl- 1 0.998 1 2 0 1.45517560022698 11957671 CCCN(CCC1=CC=CC=C1)C2CCC3=C(C2)C=CC=C3O.Cl Cl- 1 5.319 1 1 0.551900083127886 11957669 CCCN1CCC[C@H](C1)C2=CC(=CC=C2)O.Cl Cl- 1 3.219 1 1 6.90271666780352 11957668 CCCN1CCO[C@H]2[C@H]1COC3=C2C=C(C=C3)O.Cl Cl- 1 2.081 1 3 6.78800973176504e-002 11957611 CC1=C(C(=CC=C1)C)OCC(C(C)C)N.I I- 1 3.177 1 1 -3.14363267617744 11957599 CCCN1CC[C@H]2[C@@H]1CCC3=C2C=C(C=C3)O.Br Br- 1 3.322 1 1 1.19220759578791 11957593 CC1=CNN=C1.Cl Cl- 1 0.76 2 0 0 -0.309494934759275 11957591 C1CC2=CC=CC=C2C3(C1)CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 4.881 1 0 6.72378429224812 11957584 CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C[C@@]34CCC(C3(C)C)CC4NC(=O)[C@H](CCS(=O)(=O)C)N.Cl Cl- 1 1.294 4 5 0 -14.4580501556404 11957583 C1CN=C(N1)NC2=C(C=C(C=C2Cl)I)Cl.Cl Cl- 1 2.932 3 0 -0.462348719927547 11957524 C=CCN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)O)O.Br Br- 1 3.732 1 2 -1.60484212543065 11957526 C1CC2=CC(=C(C=C2CC1N)O)O.Br Br- 1 1.332 1 2 0 1.84246559756981 11957528 CN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)OC)O.Cl Cl- 1 3.341 1 2 1.43383309888025 11957529 CCCN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)O)O.Cl Cl- 1 3.988 1 2 2.06443513776442 11957531 CN1CCC2=C3[C@H]1CC4=C(C3=CC(=C2)O)C(=C(C=C4)O)O.Br Br- 1 2.874 1 3 3.89690658387548 11957537 CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4.Br Br- 1 0.979 1 3 0 -4.93453691291927 11957541 C[C@H](CC1=CC(=C(C=C1OC)I)OC)N.Cl Cl- 1 2.179 1 2 -0.119654394537149 11957576 CC1(C2=CC=CC=C2N(C1=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C.Cl Cl- 1 4.125 2 2 1.26903949022192 11957570 CCCN(CCC)[C@@H]1CCC2=C(C1)C(=CC=C2)O.Br Br- 1 4.287 1 1 1.26296926635207 11957566 CCCN(CCC)C1CCC2=C(C1)C=C(C=C2)O.Br Br- 1 4.287 1 1 -0.301919092447398 11957564 C1CCC(CC1)[Si](CCCN2CCCCC2)(C3=CC=C(C=C3)F)O.Cl Cl- 1 6.652 1 1 3.32924015763121 11957555 C1CNCC(=C1)C(=O)O.Cl Cl- 1 -2.723 1 2 0 -6.90611019862413 11957548 CCC1(CC2=CC=CC=C2O1)C3=NCCN3.Cl Cl- 1 1.998 2 1 0 -5.70798060842058 11957547 CCCCCC[C@@H]([C@@H](C)O)N1C=NC2=C1N=CN=C2N.Cl Cl- 1 2.328 5 1 -5.95232155034478 11949594 CN(C)C(=O)C1=CC2=C(N1C[C@@H](CO)O)C[C@@H]3[C@H]2[C@](N(C3)C(=O)C4=CC=CC=C4)(CC5=CC=C(C=C5)F)C(=O)OC 1 2.774 3 6 0 -1.55435595115882 11949237 COC(=O)C1=CC=CC(=C1)C#CC(C2=CC=CC=C2)NP(=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 5.983 1 3 -7.19224596715695 11949236 C1[C@@H]2C(C3(CC2(C3)[C@H](N1P(=O)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C#N)C8=CN=C(C=C8)Cl 1 7.166 3 1 -6.07382724024742 11949235 COC(=O)C1=CC(=CC=C1)C23CC4(C2)[C@@H](C3C5=CN=C(C=C5)Cl)CN([C@@H]4C6=CC=CC=C6)CC7=CN=CC=C7 1 5.347 3 2 -5.68296343320309 11949234 COC(=O)C1=CC(=CC=C1)C23CC4(C2)[C@@H](C3C5=CN=C(C=C5)Cl)CN([C@@H]4C6=CC=CC=C6)CC7=CC=C(C=C7)C8=CC=CC=C8 1 8.016 2 2 -0.819372490835863 11949233 COC(=O)C1=CC(=CC=C1)C23CC4(C2)[C@@H](C3C5=CN=C(C=C5)Cl)CN([C@@H]4C6=CC=CC=C6)CC7=CC=C(C=C7)C(F)(F)F 1 7.44 2 2 -9.3470543453017e-002 11949230 COC(=O)C1=CC(=CC=C1)C23CC4(C2)[C@@H](C3C5=CC=C(C=C5)C(F)(F)F)CN([C@@H]4C6=CC=CC=C6)CC7=CN=CC=C7 1 6.567 2 2 -1.059610445639 11949229 COC(=O)C1=CC(=CC=C1)C23CC4(C2)[C@@H](C3C5=CC=C(C=C5)C(F)(F)F)CN([C@@H]4C6=CC=CC=C6)CC7=CC=C(C=C7)C8=CC=CC=C8 1 9.236 1 2 3.75367647916869 11949228 COC(=O)C1=CC(=CC=C1)C23CC4(C2)[C@@H](C3C5=CC=C(C=C5)C(F)(F)F)CN([C@@H]4C6=CC=CC=C6)CC7=CC=C(C=C7)C(F)(F)F 1 8.66 1 2 5.74925970016912e-002 11949226 CN1C[C@@H]2C(C3(CC2(C3)[C@H]1C4=CC=CC=C4)C5=CC=CC(=C5)C(=O)OC)C6=CC=C(C=C6)C(F)(F)F 1 6.134 1 2 0.570873770176256 11949225 COC(=O)C1=CC(=CC=C1)C23CC4(C2)[C@@H](C3C5=CC=CC=C5)CN([C@@H]4C6=CC=CC=C6)CC7=CN=CC=C7 1 5.624 2 2 -5.63248033395304 11949224 COC(=O)C1=CC(=CC=C1)C23CC4(C2)[C@@H](C3C5=CC=CC=C5)CN([C@@H]4C6=CC=CC=C6)CC7=CC=C(C=C7)C8=CC=CC=C8 1 8.293 1 2 -0.819193409145352 11949223 COC(=O)C1=CC(=CC=C1)C23CC4(C2)[C@@H](C3C5=CC=CC=C5)CN([C@@H]4C6=CC=CC=C6)CC7=CC=C(C=C7)C(F)(F)F 1 7.717 1 2 -9.32914617625064e-002 11949222 COC(=O)C1=CC(=CC=C1)C23CC4(C2)[C@@H](C3C5=CC=CC=C5)CN([C@@H]4C6=CC=CC=C6)CC7CCCCC7 1 7.38 1 2 -5.16227231559911 11949221 CN1C[C@@H]2C(C3(CC2(C3)[C@H]1C4=CC=CC=C4)C5=CC=CC(=C5)C(=O)OC)C6=CC=CC=C6 1 5.192 1 2 -4.00199611813779 11949220 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CN=CC=C4)C5=CC=CC=C5)C6=CN=CC=C6)C7=CN=C(C=C7)Cl 1 4.341 4 0 -1.88342281720385 11949219 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CN=CC=C7)C8=CN=C(C=C8)Cl 1 7.01 3 0 2.30676654354423 11949218 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5)C6=CN=CC=C6)C7=CN=C(C=C7)Cl 1 6.434 3 0 3.03266849092708 11949217 C1CCC(CC1)CN2C[C@@H]3C(C4(CC3(C4)[C@H]2C5=CC=CC=C5)C6=CN=CC=C6)C7=CN=C(C=C7)Cl 1 6.097 3 0 -2.03631236290953 11949216 CN1C[C@@H]2C(C3(CC2(C3)[C@H]1C4=CC=CC=C4)C5=CN=CC=C5)C6=CN=C(C=C6)Cl 1 3.908 3 0 -0.876036165448203 11949215 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CN=CC=C4)C5=CC=CC=C5)C6=CN=CC=C6)C7=CC=C(C=C7)C(F)(F)F 1 5.561 3 0 2.73993017036025 11949214 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CN=CC=C7)C8=CC=C(C=C8)C(F)(F)F 1 8.23 2 0 6.93011953110833 11949213 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5)C6=CN=CC=C6)C7=CC=C(C=C7)C(F)(F)F 1 7.654 2 0 3.23393564894133 11949212 C1CCC(CC1)CN2C[C@@H]3C(C4(CC3(C4)[C@H]2C5=CC=CC=C5)C6=CN=CC=C6)C7=CC=C(C=C7)C(F)(F)F 1 7.317 2 0 2.58704062465457 11949211 CN1C[C@@H]2C(C3(CC2(C3)[C@H]1C4=CC=CC=C4)C5=CN=CC=C5)C6=CC=C(C=C6)C(F)(F)F 1 5.128 2 0 3.74731682211589 11949210 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C#N)C8=CN=C(C=C8)Cl 1 8.04 3 0 1.36783544935734 11949209 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5)C6=CC=C(C=C6)C#N)C7=CN=C(C=C7)Cl 1 7.464 3 0 2.09373739674018 11949208 C1CCC(CC1)CN2C[C@@H]3C(C4(CC3(C4)[C@H]2C5=CC=CC=C5)C6=CC=C(C=C6)C#N)C7=CN=C(C=C7)Cl 1 7.127 3 0 -2.97524345709643 11949207 CN1C[C@@H]2C(C3(CC2(C3)[C@H]1C4=CC=CC=C4)C5=CC=C(C=C5)C#N)C6=CN=C(C=C6)Cl 1 4.938 3 0 -1.8149672596351 11949205 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C#N)C8=CC=C(C=C8)C(F)(F)F 1 9.259 2 0 5.94088441936189 11949204 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5)C6=CC=C(C=C6)C#N)C7=CC=C(C=C7)C(F)(F)F 1 8.683 2 0 2.24470053719489 11949203 C1CCC(CC1)CN2C[C@@H]3C(C4(CC3(C4)[C@H]2C5=CC=CC=C5)C6=CC=C(C=C6)C#N)C7=CC=C(C=C7)C(F)(F)F 1 8.346 2 0 1.59780551290813 11949202 CN1C[C@@H]2C(C3(CC2(C3)[C@H]1C4=CC=CC=C4)C5=CC=C(C=C5)C#N)C6=CC=C(C=C6)C(F)(F)F 1 6.157 2 0 2.75808171036946 11949201 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CN=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C#N)C7=CC=CC=C7 1 5.648 3 0 -3.44527239375984 11949200 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C#N)C8=CC=CC=C8 1 8.317 2 0 1.36801453104785 11949199 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5)C6=CC=C(C=C6)C#N)C7=CC=CC=C7 1 7.741 2 0 2.09391647843069 11949198 C1CCC(CC1)CN2C[C@@H]3C(C4(CC3(C4)[C@H]2C5=CC=CC=C5)C6=CC=C(C=C6)C#N)C7=CC=CC=C7 1 7.404 2 0 -2.97506437540592 11949197 CN1C[C@@H]2C(C3(CC2(C3)[C@H]1C4=CC=CC=C4)C5=CC=C(C=C5)C#N)C6=CC=CC=C6 1 5.215 2 0 -1.81478817794459 11949196 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CN=CC=C4)C5=CC=CC=C5)C6=CN=CC=C6)C7=CC=CC=C7 1 4.618 3 0 -1.8329397179538 11949195 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CN=CC=C7)C8=CC=CC=C8 1 7.287 2 0 2.35724964279429 11949194 C1[C@@H]2C(C3(CC2(C3)[C@H](N1CC4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5)C6=CN=CC=C6)C7=CC=CC=C7 1 6.711 2 0 3.08315159017713 11949193 C1CCC(CC1)CN2C[C@@H]3C(C4(CC3(C4)[C@H]2C5=CC=CC=C5)C6=CN=CC=C6)C7=CC=CC=C7 1 6.374 2 0 -1.98582926365948 11949192 CN1C[C@@H]2C(C3(CC2(C3)[C@H]1C4=CC=CC=C4)C5=CN=CC=C5)C6=CC=CC=C6 1 4.185 2 0 -0.825553066198153 11949191 COC(=O)C1=CC=C(C=C1)C23CC4(C2)[C@@H](C3C5=CN=C(C=C5)Cl)CN([C@@H]4C6=CC=CC=C6)CC7=CN=CC=C7 1 5.347 3 2 -5.27386941323127 11949190 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CCC1=C(N2C(=O)OC(=NCCC3=CNC4=CC=CC=C43)[C@@]2([C@H]5C1=CC[C@@H]6[C@H]5C(=O)N(C6=O)C)C)OC(=O)N(CC)CC 1 4.385 5 6 0 -9.85293952586616 11948953 CCC1=C(N2C(=O)OC(=NCCC3=CNC4=CC=CC=C43)[C@@]2([C@H]5C1=CC[C@@H]6[C@H]5C(=O)N(C6=O)CC)C)OC(=O)N(CC)CC 1 4.734 5 6 0 -11.5902537378964 11948987 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(C(=NCC5=CC=CC=C5)OC(=O)N4C1=O)CC6=CC=CC=C6)C(=O)N(C3=O)CC 1 4.712 3 5 0 -5.61404232657473 11948986 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(C(=NCC(=O)OC)OC(=O)N4C1=O)CC5=CC=CC=C5)C(=O)NC3=O 1 2.281 3 7 0 -10.12061706851 11948985 CCC1=C(N2C(=O)OC(=NCC(=O)OC)[C@@]2([C@H]3C1=CC[C@@H]4[C@H]3C(=O)NC4=O)CC5=CC=CC=C5)OC(=O)N(CC)CC 1 3.244 4 8 0 -12.0331477617811 11948984 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(C(=NCC(=O)OC)OC(=O)N4C1=O)CC5=CC=CC=C5)C(=O)N(C3=O)C 1 2.487 3 7 0 -6.58430769604807 11948983 CCC1=C(N2C(=O)OC(=NCC(=O)OC)[C@@]2([C@H]3C1=CC[C@@H]4[C@H]3C(=O)N(C4=O)C)CC5=CC=CC=C5)OC(=O)N(CC)CC 1 3.449 4 8 0 -8.80438051842357 11948982 CCC1=C(N2C(=O)OC(=NCC(=O)OC)[C@@]2([C@H]3C1=CC[C@@H]4[C@H]3C(=O)N(C4=O)CC(=O)OC)CC5=CC=CC=C5)OC(=O)N(CC)CC 1 3.157 4 10 0 -12.1599134800106 11948981 C[C@@H]1[C@H]2[C@@H]([C@@H]3C[C@@H]4[C@H]([C@@H]5C3=C1C(=O)N6[C@@]5(C(=NCC(=O)OC)OC6=O)CC7=CC=CC=C7)C(=O)N(C4=O)C8=CC=CC=C8)C(=O)N(C2=O)C9=CC=CC=C9 1 3.914 4 9 0 -6.12023246434942 11948980 CCC1=C(N2C(=O)OC(=NCC(=O)OC)[C@@]2([C@H]3C1=CC[C@@H]4[C@H]3C(=O)N(C4=O)C5=CC=CC=C5)CC6=CC=CC=C6)OC(=O)N(CC)CC 1 5.026 4 8 0 -8.25709187141341 11948979 CCC1=C(N2C(=O)OC(=NCCOC)[C@@]2([C@H]3C1=CC[C@@H]4[C@H]3C(=O)NC4=O)CC5=CC=CC=C5)OC(=O)N(CC)CC 1 3.406 4 7 0 -11.1799509287441 11948978 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(C(=NCCOC)OC(=O)N4C1=O)CC5=CC=CC=C5)C(=O)N(C3=O)C 1 2.649 3 6 0 -4.82388462140484 11948977 CCC1=C(N2C(=O)OC(=NCCOC)[C@@]2([C@H]3C1=CC[C@@H]4[C@H]3C(=O)N(C4=O)C)CC5=CC=CC=C5)OC(=O)N(CC)CC 1 3.612 4 7 0 -7.95118368538661 11948976 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(C(=NCCOC)OC(=O)N4C1=O)CC5=CC=CC=C5)C(=O)N(C3=O)CC 1 2.998 3 6 0 -6.56119883343506 11948975 CCC1=C(N2C(=O)OC(=NCCOC)[C@@]2([C@H]3C1=CC[C@@H]4[C@H]3C(=O)N(C4=O)CC)CC5=CC=CC=C5)OC(=O)N(CC)CC 1 3.96 4 7 0 -9.68849789741683 11948972 CCC1=C(N2C(=O)OC(=NCCOC)[C@@]2([C@H]3C1=CC[C@@H]4[C@H]3C(=O)N(C4=O)CC(=O)OC)CC5=CC=CC=C5)OC(=O)N(CC)CC 1 3.319 4 9 0 -14.0116869113039 11948970 CCC1=C(N2C(=O)OC(=NCCC3=CNC4=CC=CC=C43)[C@@]2([C@H]5C1=CC[C@@H]6[C@H]5C(=O)NC6=O)CC7=CC=CC=C7)OC(=O)N(CC)CC 1 5.735 5 6 0 -11.0074826074533 11948968 CCC1=C(N2C(=O)OC(=NCCC3=CNC4=CC=CC=C43)[C@@]2([C@H]5C1=CC[C@@H]6[C@H]5C(=O)N(C6=O)C)CC7=CC=CC=C7)OC(=O)N(CC)CC 1 5.941 5 6 0 -7.77871536409584 11948967 CCC1=C(N2C(=O)OC(=NCCC3=CNC4=CC=CC=C43)[C@@]2([C@H]5C1=CC[C@@H]6[C@H]5C(=O)N(C6=O)CC)CC7=CC=CC=C7)OC(=O)N(CC)CC 1 6.289 5 6 0 -9.51602957612606 11948965 CCC1=C(N2C(=O)OC(=NCCC3=CNC4=CC=CC=C43)[C@@]2([C@H]5C1=CC[C@@H]6[C@H]5C(=O)N(C6=O)CC(=O)OC)CC7=CC=CC=C7)OC(=O)N(CC)CC 1 5.648 5 8 0 -13.9369484902875 11948962 CCC1=C(N2C(=O)OC(=NCCC3=CNC4=CC=CC=C43)[C@@]2([C@H]5C1=CC[C@@H]6[C@H]5C(=O)N(C6=O)C7=CC=CC=C7)CC8=CC=CC=C8)OC(=O)N(CC)CC 1 7.517 5 6 0 -7.23142671708568 11948961 C[C@@H]1[C@H]2[C@@H]([C@@H]3C[C@@H]4[C@H]([C@@H]5C3=C1C(=O)N6[C@@]5(C(=NCCOC)OC6=O)CC7=CC=CC=C7)C(=O)N(C4=O)C8=CC=CC=C8)C(=O)N(C2=O)C9=CC=CC=C9 1 4.076 4 8 0 -4.35980938970619 11948955 CCC1=C(N2C(=O)OC(=NCCC3=CNC4=CC=CC=C43)[C@@]2([C@H]5C1=CC[C@@H]6[C@H]5C(=O)N(C6=O)CC(=O)OC)C)OC(=O)N(CC)CC 1 4.092 5 8 0 -16.0111726520578 11948924 CCOC(=O)C1=C(NC(=S)NC1C)C2=CC(=CC=C2)OC3=CC=CC=C3 1 4.262 2 3 -9.26938072960089 11948923 C1CN(CCN1CCN2C(=O)CC(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2=O)C5=CC(=CC=C5)Cl.O.Cl Cl- H2O 1 5.236 3 2 2.50974854353436 11948922 C1=CC(=C(C(=C1)Cl)Cl)CNCC2=CC=C(C=C2)C(=O)O.Cl Cl- 1 1.205 1 2 0 1.36937967684012 11948921 CC\1=NN(C(=O)/C1=C/NC2=CC=CC=C2C3=NNC(=NC3=O)SCC=C)C4=CC=CC=C4 1 3.388 6 2 0 -16.3303022641522 11948920 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C=CSC3=N.Cl Cl- 1 -1.6e-002 4 4 0 -29.0119165055409 11948918 CC(C)[C@@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)NC(=O)C3=CC(=CC(=C3)OC)OC 1 2.085 2 8 0 -25.8270425630366 11948916 CC1=CC(=NO1)NC(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5=CC=C(C=C5)Cl 1 4.131 6 2 0 -22.3109089931372 11948914 CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C=CSC3=N.Cl Cl- 1 2.739 3 2 -10.0883332959324 11948913 CC(C)C(C1=NC2=CC=CC=C2N1)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 5.187 3 1 -7.24070759936005 11948912 CSCCC1C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC3=CC=CC=C32 1 1.402 3 3 0 -12.5973960131142 11948911 CC\1=NN(C(=O)/C1=C/NC2=C(C3=C(S2)CCC3)C#N)C4=CC=CC5=CC=CC=C54 1 3.876 4 1 -12.8048715595072 11948910 CN1C=CC=C1CNC2CCCC2.Cl Cl- 1 2.147 2 0 -0.522347884332523 11948909 C1=CC=C(C=C1)COC2=CC=CC=C2CNCC3=CN=CC=C3.Cl Cl- 1 3.367 2 1 -1.06608235593691 11948908 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O)Cl 1 3.045 3 3 -5.47563533433296 11948907 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)NN=CC3=CC4=CC=CC=C4N=C3Cl 1 4.653 4 2 -12.5853756642534 11948906 CC1=CC(=CC=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC4=C(C=C3)OCO4 1 1.966 3 5 0 -6.69188636010089 11948903 CC1=C(OC2=CC=CC=C12)C(=O)OC(C)C(C)C[N+](C)(C)C.[I-] I- 1 2.439 1 3 -0.766035733348258 11948902 CC(C)CC1=C(C=C(O1)C(=O)O)CN.Cl Cl- 1 -0.998 1 3 0 -3.16815141195543 11948900 CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCOCC[N+]3=C(N(C4=CC(=C(C=C43)Cl)Cl)CC)C)C.[I-] I- 1 7.54 4 1 2.42201272819143 11948888 CC1CCCCN1C2=NC=NC3=CC=CC=C32.Cl Cl- 1 2.764 3 0 1.07274077609908 11948887 C1OC2=C(O1)C=C(C=C2)/C=C/C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.706 3 5 0 -3.68962372694119 11948886 C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N.Br Br- 1 2.392 3 2 2.33138128151398 11948884 C1C(CSC2=[N+]1C3=CC=CC=C3N2CC(=O)N)O.[Br-] Br- 1 1.093 3 2 0 -4.41306314362073 11948882 CN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3.Cl Cl- 1 2.48 3 2 -3.43862132913497 11948880 C1COCCN1CC2=NC3=C(N2)C=C(C=C3)N.Cl Cl- 1 0.553 4 1 0 2.05809516113951 11948877 CCOC1=C(C=CC(=C1)CNC(C)(C)CO)OCC=C.Cl Cl- 1 2.343 1 3 -13.2316828999388 11948876 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNCCC2=CC=CC=C2)OC.Cl Cl- 1 3.23 2 3 -14.2915859932676 11948875 CC(C)(CO)NCC1=CC(=C(C=C1)OCC=C)OC.Cl Cl- 1 1.994 1 3 0 -12.5479522365107 11948874 CC1=CC(=CN=C1NC(C)C2=CC=CC=C2)[N+](=O)[O-] 1 2.896 3 2 -2.11341580708249 11948873 CCOC1=CC2=C(C=C1)N(C(=N2)SCC(=O)C3=CC=CS3)C.Br Br- 1 4.176 2 2 -9.4284048486225 11948872 C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3Cl)C4=NC5=CC=CC=C5N4 1 5.644 4 1 -8.57160567212962 11948871 CCOCCN1CCN(CC1)C2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=NC3)C5=CC=CC=C5Cl.C(=O)O COOH 1 4.175 6 1 0 0.135903944151029 11948869 CC(C)C1=NC2=CC=CC3=C2C(=CC=C3)N1.Cl Cl- 1 2.995 2 0 -3.7744048958156 11948867 CN(C)CC1=C(OC2=CC=CC=C2C1C3=CC=CC=C3)C4=CC=C(C=C4)OC.Cl Cl- 1 5.008 1 2 -0.397173887555437 11948863 CC(C)(C)C1=CC=C(C=C1)C2CC2C(=O)NN=CC3=CC4=CC=CC=C4N=C3Cl 1 5.521 3 1 3.4601855958905 11948862 CC(=N/N=C(\N)/SC1CC(=O)N(C1=O)C2=CC=C(C=C2)OC)C3=CC=CS3 1 2.888 4 3 0 -3.81446423581002 11948861 CC(=NNC(=O)CSCC1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)OCCO3 1 3.514 2 3 -11.7161894022704 11948860 CC(=NNC1=CC=CC=C1)C2=CN=NC(=N2)SC 1 2.674 5 0 1.62312968059048 11948859 CC(C)N1C(=O)CC2(C1=O)CCN(CC2)CCOC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl Cl- 1 2.949 2 5 0 -6.32742655314038 11948856 CC1=CC=CC(=C1)/C=C/2\C(=O)N=C(S2)NN=C3CC4CCC3(C4(C)C)C 1 4.82 3 1 -2.10454278880508 11948855 CC1=CC=CC2=C1OCCC2=NNC(=O)COC3=CC=CC=C3Cl 1 3.567 2 3 -6.26157666978744 11948854 COCCCN1CCN(CC1)C2=NN=C3N2C4=C(C=C(S4)Br)C(=NC3)C5=CC=CC=C5Cl.CS(=O)(=O)O CS(=O)(=O)O 1 3.579 6 1 0 0.338224827544959 11948853 CC(C)(C)NCC1=CC(=C(C=C1)OCC=C)OC.Cl Cl- 1 2.882 1 2 -12.332800947821 11948852 C1=CC=C(C(=C1)COC2=CC=C(C=C2)CNCCCCO)Cl.Cl Cl- 1 3.702 1 2 0.722110151921566 11948851 C1=CC(=CC=C1CNCCCCO)OCC2=CC=C(C=C2)Cl.Cl Cl- 1 3.702 1 2 2.11669584857751 11948850 C1=CC(=CC=C1CNCCCCO)OCC2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 4.366 1 2 3.26963702555825 11948849 CC1=CC(=CC=C1)NC(=O)C(C2=CC(=CC=C2)[N+](=O)[O-])N3CCCCC3 1 3.973 3 3 -10.0184424999455 11948848 C1=CC=C(C=C1)N2C(=O)C3=C(SC=C3C(=N2)C(=O)NN=CC4=CC=C(C=C4)Cl)N 1 3.319 5 2 0 -1.62484318398501 11948844 CC(C)C1=CC=C(C=C1)C=NNC(=O)CN(C2=C(C(=CC=C2)Cl)Cl)S(=O)(=O)C 1 4.175 3 3 -13.0307182612316 11948843 CC(CNCCNCC1=C(C=CC2=CC=CC=C21)OCC3=CC=CC=C3)O.Cl Cl- 1 3.284 2 2 1.93472010977608 11948842 C1=CC=C(C(=C1)CCNCC2=C(C(=CC=C2)Cl)Cl)F.Cl Cl- 1 4.806 1 0 2.51747016956086 11948841 CC(C)(CO)NCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.Cl Cl- 1 3.726 1 2 -2.55920024653673 11948840 CC1=CC=CC=C1NC2=NC(=O)CC(S2)C3=CC=CC=C3 1 4.229 2 1 -3.96223497736551 11948839 C1C(N(N=C1C2=CC=CO2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 4.471 3 3 -2.01536892449553 11948838 C1CCC(=CC1)CCNCC2=CC=CC=C2.Cl Cl- 1 3.695 1 0 -1.75878664271651 11948837 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2Cl)CSC3=NC4=CC=CC=C4S3 1 6.082 3 2 -12.1051759811979 11948836 CN(C)CCOC(C1CCCCC1)C2CCCCC2.Cl Cl- 1 4.595 1 1 -0.609424102849945 11948835 CCCN1C(=O)/C(=C/C=C\2/C(C3=CC=CC=C3N2CC)(C)C)/SC1=S 1 5.263 2 1 -0.882719958279242 11948834 CC1=CC=C(C=C1)CNCCC2=CCCCC2.Cl Cl- 1 4.181 1 0 -0.943971737936918 11948833 C1CCC(=CC1)CCNCC2=CC=C(C=C2)Cl.Cl Cl- 1 4.359 1 0 0.878026952649901 11948832 COC1=C(C=CC(=C1)CNCCC2=CC=CC=C2)OCC3=CN=C(C=C3)Cl.Cl Cl- 1 4.546 2 2 -3.53314382491362 11948831 C1CCC(C1)NCC2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 4.098 1 0 4.74718727034579 11948830 CC(C)(C(=O)NN/C=C/1\C=NN=C1C2=CC=CC=C2)OC3=CC=C(C=C3)Cl 1 3.174 4 2 -1.40227587650953 11948829 CC(=O)C(=NNC1=CC(=CC=C1)Cl)N2CCOCC2.Cl Cl- 1 1.667 3 2 0 -0.290442750256098 11948828 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C/C=C/C4=CC=CO4)C 1 5.544 3 2 -1.02237798888991e-003 11948827 CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C#N)SCC(=O)N)C3=CC=CC=C3 1 1.891 4 3 0 -24.7221737580542 11948826 CCON=C(C1=NON=C1N)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.248 7 4 0 -6.34273067456921 11948825 CC1=CC=C(C=C1)NNC(=O)C(C2=CC=C(C=C2)OC)(C3=CC=CS3)O 1 3.989 2 3 -6.86127650455392 11948824 C1CCC(CC1)CNCCC2=CCCCC2.Cl Cl- 1 4.3 1 0 -1.55945730911688 11948823 CC1=CC(=CC=C1)NN=C(C(=O)C)N2CCOCC2.Cl Cl- 1 1.489 3 2 0 -1.15166645363241 11948822 COC1=C(C=CC(=C1)CNCCC2=CC=C(C=C2)F)OCC3=CN=C(C=C3)Cl.Cl Cl- 1 4.751 2 2 -2.28797931927906 11948821 CC(=NNC1=NC2=C(S1)CCCC2)C3=CC=CC=C3.Cl Cl- 1 3.179 3 0 -4.95541330868994 11948820 CCOC1=C(C(=CC(=C1)CNC2CCCC2)Cl)OCC3=CC=C(C=C3)F.Cl Cl- 1 5.539 1 2 1.33499323076176e-002 11948819 C1=CC=C(C=C1)C(C2=CC=CC=C2)NCC3=C(C=CC=C3Cl)F.Cl Cl- 1 5.433 1 0 -2.66944691179129 11948818 C1CCC(C1)NCC2=C(C=CC=C2Cl)Cl.Cl Cl- 1 4.098 1 0 1.91916767311138 11948817 COC1=C(C(=CC(=C1)CNC2CCCC2)Cl)OCC3=CC=CC=C3F.Cl Cl- 1 5.19 1 2 7.09702289552359e-002 11948816 C1CCC(C1)NCC2=CC=C(C=C2)Cl.Cl Cl- 1 3.434 1 0 4.97606877960892 11948815 CCN1CCN(CC1)C2=NC(=NC3=C2C=NN3CCC4=CC=CC=C4)C.Cl Cl- 1 2.347 6 0 -2.99565530823125 11948814 CC(C(C1=CC=CC=C1)O)NCC2=CC(=C(C=C2)Cl)Cl.Cl Cl- 1 4.146 1 1 1.89628320946965 11948813 CN1C(=NN=N1)SCCNCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3F)OC.Cl Cl- 1 3.914 5 2 0 -14.3194183892251 11948810 COC1=C(C=CC(=C1)CNCC(C2=CC=CC=C2)O)OCC3=CN=C(C=C3)Cl.Cl Cl- 1 3.714 2 3 -4.99094345611083 11948809 CCOC1=C(C=C(C(=C1)CNCCN(C)C)Cl)OCC(=O)NCCC2=CC=CC=C2.Cl Cl- 1 3.451 3 3 -7.67815460703827 11948808 CC(C1CCC2C1(C3(CC4C2CC[C@@H]5C4(CCC(C5)O)C)OCCO3)C)O 1 2.945 0 4 -11.0918369243342 11948807 COC1=C(C=C(C=C1)CCNCC2=CC(=C(C=C2)OCC3=CN=C(C=C3)Cl)OC)OC.Cl Cl- 1 4.513 2 4 -4.68997852040229 11948806 COC1=C(C=CC(=C1)CNCCC2=CC=CC=C2F)OCC3=CN=C(C=C3)Cl.Cl Cl- 1 4.751 2 2 -4.42974045083094 11948805 CC1=CC=C(C=C1)CNCC2=CC=CC=C2Cl.Cl Cl- 1 4.101 1 0 2.63251468909916 11948804 CCN(CC)C1=NC(=NC2=C1C=NN2CCC3=CC=CC=C3)C.Cl Cl- 1 2.739 5 0 -6.53426608760408 11948803 CCOC1=CC=C(C=C1)C2=C(C(C3=CC=CC=C3O2)C4=CC=C(C=C4)F)C=NC5=C(N(N(C5=O)C6=CC=CC=C6)C)C 1 6.07 3 3 -9.93962145947339 11948802 C1CCC(=CC1)CCNCC2CC2.Cl Cl- 1 2.931 1 0 -1.5508363409674 11948801 CCOC(=O)C1=NN(C=C1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C 1 4.579 2 3 -0.624783136464753 11948800 CC1=C(C(=NN1)C)CCOC2=CC=C(C=C2)C(C)C.Cl Cl- 1 3.784 2 1 1.34167913541331 11948799 CC1=C(C(=CC=C1)C)OCC(CN2CCC(CC2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O.Cl Cl- 1 4.553 2 4 -4.14222367018565 11948798 C1=CC=C(C(=C1)CNCCC2=CC=C(C=C2)F)Cl.Cl Cl- 1 4.142 1 0 3.27598054191708 11948797 COC1=C(C=CC(=C1)CNCCN2CCOCC2)OCC3=CC=C(C=C3)Cl.Cl Cl- 1 3.409 2 3 -4.31066870888283 11948796 CC(C)(C)N1CC2=CC=CC=C2C1=N.Br Br- 1 1.983 2 0 0 -3.46983117086924 11948795 CC1=C(C(=NN1)C)CCOC2=CC=CC(=C2)OC.Cl Cl- 1 2.574 2 2 5.56475024414477e-002 11948794 COC1=C(C=CC(=C1)CNCCC2=CNC3=CC=CC=C32)OCC4=CC=C(C=C4)F.Cl Cl- 1 5.322 2 2 -5.09949324423687 11948793 COC1=CC=CC(=C1OCC2=CC=C(C=C2)F)CNCCC3=CNC4=CC=CC=C43.Cl Cl- 1 5.322 2 2 -1.44363440881707 11948792 CCN1CCCC1CNCC2=CC=CC=C2OCC3=CC=C(C=C3)F.Cl Cl- 1 4.117 2 1 -2.70862823981456 11948791 CCN1CCCC1CNCC2=C(C(=CC=C2)OC)OCC3=CC=CC=C3F.Cl Cl- 1 4.101 2 2 -5.49139079789179 11948790 C=CCC1=CC=C/C(=C\NNC(=O)CNC2=CC=CC=C2)/C1=O 1 1.635 3 2 0 -11.1401478873299 11948789 CCCCCNCC1=CC=CN1C.Cl Cl- 1 2.53 2 0 -3.5302872055913 11948788 CC(=O)OC1=CC=C(C=C1)C=NNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.68 3 5 0 -12.6831107394982 11948787 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=CC=C3OC.Cl Cl- 1 3.794 4 5 0 -16.5444984459653 11948786 CC1=C(NC(=C1C(=O)NN/C=C/2\C=CC=C(C2=O)OC)C)C(=O)NN/C=C/3\C=CC=C(C3=O)OC 1 -0.424 5 6 0 -6.39797996061474 11948785 C1=CC=C(C(=C1)CNCC2=CN=CC=C2)OCC3=CC=C(C=C3)Cl.Cl Cl- 1 4.032 2 1 1.73914423644191 11948784 CN1C=CC=C1CNC2CCCCC2.Cl Cl- 1 2.603 2 0 -0.876816398500603 11948783 CC(C(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)SC3=CC=C(C=C3)Cl 1 3.258 2 3 -11.6202575302556 11948782 C1=CC(=CC=C1CNCC2=C(C=C(C=C2)Cl)Cl)C(=O)O.Cl Cl- 1 1.205 1 2 0 1.89603754147578 11948781 C1COCCN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-] 1 2.633 4 4 0 -6.82756996120141 11948778 C1C2=CC=CC=C2C(C3=CC=CC=C3S1)CN.Cl Cl- 1 2.903 1 0 -3.18863516962106 11948777 CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC(=N)N.Cl Cl- 1 3.207 4 1 -8.08512012604804 11948776 C1CN(CCN1CCCCN2C(=O)CC(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2=O)C5=CC(=CC=C5)Cl.Cl Cl- 1 5.878 3 2 5.66063418438613 11948775 CN(C)CC1C2=CC=CC=C2CSC3=CC=CC=C13.Cl Cl- 1 3.871 1 0 -1.02611189093903 11948774 CC1=CC=CC=C1N(CC(=O)NN=CC2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 4.676 3 2 -10.8645659571724 11948772 COC1=C/C(=C/C(=C\2/NC3=C(S2)CCCC3)/C#N)/C=CC1=O 1 2.387 2 2 -7.64936661618024 11948770 CC1CCN(CC1)C2=CC(=C(C=C2C=NNC3=NN=C(N3N)C)[N+](=O)[O-])N4CCC(CC4)C.Cl Cl- 1 3.042 9 2 0 -10.244885661701 11948769 CC1=CC=CC=C1N(CC(=O)NN=CC2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3 1 4.676 3 2 -11.0964248343769 11948768 C1CCC2=C(C1)C(=O)N3C(=N2)/C(=N/NC4=CC=C(C=C4)Cl)/C(=N3)N 1 2.631 6 1 0 -6.17787964292614 11948767 C1=CC=C2C(=C1)C=CC=C2OCC(=O)NN=CC3=CC=C(O3)SC4=NC5=CC=CC=C5S4 1 5.69 3 3 -5.6239491443251 11948766 CCCSC1=NC(=NC(=C1)N2CCN(CC2)C)C3=CC=C(C=C3)OC.Cl Cl- 1 4.266 4 1 3.37039360953676 11948765 CC1=CC=CC=C1NN=C(C)C2=CN=NC(=N2)SC 1 3.16 5 0 0.829154486081912 11948764 C1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C4=CC=CC=C42.[Br-] Br- 1 4.798 1 1 0.543902833770492 11948763 CCN1CC2=C(C(=C1)CC3=CC=CC=C3C)OC(=C(C2C4=CC=CC=C4C)C#N)N.CCO CCO 1 4.494 3 1 -10.1484837695361 11948762 CN(C)CC1=CC=CC=C1C2(C3=CC=CC=C3CSC4=CC=CC=C42)O.Cl Cl- 1 4.646 1 1 0.895066877754103 11948761 CC(C)OC1=CC=C(C=C1)C=NNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.622 3 4 0 -12.1499997269448 11948760 CC(C)C(C(=O)NN=C/C=C/C1=CC=CC=C1)NC(=O)COC2=CC3=CC=CC=C3C=C2 1 4.174 3 3 -7.77356627659049 11948759 CC\1=NN(C(=O)/C1=C/NC2=CC3=CC=CC=C3N=C2)C4=CC=CC=C4 1 2.562 4 1 -2.02099967561395 11948758 CC1=[NH+]C(=C(C=C1)O)CCC2=CC=C(C=C2)OC.[Cl-] Cl- 1 3.416 1 2 3.62703305880371 11948757 C1CCC2=C(C1)N=C(S2)N/C=C/3\C=C(C=C(C3=O)Br)Br 1 2.919 2 1 -3.33778272053638 11948756 CC1=NC(=NC(=C1)C2=CC=CC=C2)NN=C(C)C3=CC=CO3 1 3.159 4 1 0.967920229177311 11948754 CC1=CC=C(C=C1)S(=O)(=O)NCC23C=CC(O2)C4C3C(=O)N(C4=O)C5=CC=CC=C5 1 1.746 2 5 0 11.8818438248389 11948753 CCO.CC(CC1=CC=CC=C1SC2=CC=C(C=C2)O)N(C)C.Cl Cl- CCO 1 4.478 1 1 5.99873663253141 11948752 C/C(=C(/C#N)\C(=O)CSC1=NN=C(O1)C2=CC=CC=C2Br)/N 1 2.082 4 2 -15.6644631971405 11948750 CCN1C=C(C(=N1)C)C=NN=C2CCC3[C@@]2(CCC4C3CCC5=C4C=CC(=C5)O)C 1 5.125 4 1 -6.85577498235509 11948749 CCOC(=O)C1=C(N(C2=C1C(=C(C(=C2C(C(=O)C)C(=O)O)Br)O)O)C3=CC=C(C=C3)C)C 1 4.377 1 7 0 -7.02392925581641 11948747 COC1=C/C(=C/NNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])/C=CC1=O 1 -0.351 4 6 0 -12.9915170412722 11948745 CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)NC2=NS(=O)(=O)C3=CC=CC=C32 1 1.714 3 5 0 -16.9593099286292 11948744 C1=CC=C(C=C1)C\2=NC(=O)NC(/C2=C/3\NC4=CC=CC=C4S3)C5=CC=C(C=C5)O 1 5.137 3 2 -6.98915744261111 11948743 C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)CN3C=CSC3=N.Cl Cl- 1 2.917 3 2 -10.1587504704523 11948741 CC\1=NN(C(=O)/C1=C/NC2=CC3=C(C=C2)NC(=O)N3)C4=CC=CC5=CC=CC=C54 1 2.147 5 2 0 -10.5760021446426 11948740 CC1=C(C=C(C=C1)N2C(=O)/C(=C/NC34CN5CN(C3)CN(C4)C5)/C(=N2)C)C 1 1.197 6 1 0 -6.90573348945935 11948738 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC3=NN=C(C4=CC=CC=C43)C5=NC=CN5 1 2.256 6 1 0 -6.88624234398808 11948737 CN(CCO)CC1=CSC2=C1C=C(C=C2)Br.Cl Cl- 1 2.974 1 1 5.57080644565678 11948736 C1=CC=C(C(=C1)CNCC2=C(C=CC=C2Cl)F)Cl.Cl Cl- 1 4.485 1 0 -1.08865643759524 11948735 CN(C)C1=C(C=C(C=C1)C=NNC(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C)Br 1 3.227 4 3 0 -12.7567581183107 11948734 C1CC2C(N(N=C2/C(=C/C3=CC=CO3)/C1)C(=O)CSC4=NNC(=N4)N)C5=CC=CO5 1 3.021 6 3 0 -12.4276482052736 11948732 CC1(N=C(NC(=N1)NC2=CC=C(C=C2)Br)N)C.Br Br- 1 1.707 5 0 0 0.740037958371586 11948728 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.495 4 6 0 -10.0869970776444 11948726 COC1=CC=CC(=C1O)C2NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC5=C(C=C4)OCO5 1 2.997 3 6 0 -10.0437820124783 11948725 CC(C)N(CCNS(=O)(=O)C1=CC=C(C=C1)Cl)C(C)C.Cl Cl- 1 2.996 2 2 -4.08632019550477 11948658 CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C4=CC5=C(C(=C4O3)O)OC(C=C5)(C)C)(C)C 1 4.296 0 6 0.724234716780793 11947709 C1=CC=NC(=C1)/C(=C\C2=CC=CS2)/C#N 1 2.886 2 0 -8.42459902698968 11947660 C1CS(=O)(=O)CC1NC(=O)CSC2=NC=CC=N2 1 -0.319 3 3 0 -18.2697588759763 11947616 CCN1C(=O)/C(=C/2\C3=CC(=CC4=C3N(C2=O)C(CC4C)(C)C)OC)/SC1=S 1 3.865 2 3 -8.84710643330748 11947613 CC1CC(N2C3=C(C=CC=C13)/C(=C/4\C(=O)NC(=O)S4)/C2=O)(C)C 1 2.428 2 3 -1.41307757108197 11947595 CC1CC2=C(O1)C=CC(=C2)/C=C/3\C(=O)N(C(=S)S3)C 1 3.483 1 2 -5.45842218861359 11947541 COC1=CC=C(C=C1)/C=C(/C(=O)NCC2CCCO2)\NC(=O)C3=CC=CC=C3 1 2.337 2 4 -23.8062534369407 11957517 CC(C)(C)NCC(COC1=CC=CC2=C1NC(=O)N2)O.Cl Cl- 1 0.699 3 3 0 -13.6666344674561 11957513 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@H]4[C@@H](C[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6CC(=O)OC6)C)O)CO)O)O)O)O 1 -2.41 0 12 0 -10.4506520103825 11957512 C1CC1C2=CC=CC=C2OCC3=NCCN3.Cl Cl- 1 1.775 2 1 0 -8.62972632801962 11957505 COC1=C(C(=CC=C1)OC)OCCNCC2COC3=CC=CC=C3O2.Cl Cl- 1 2.846 1 5 0.549545209789409 11957499 C[C@@H]1CC[C@]2([C@@H](C[C@H]([C@H](O2)[C@H](C)C(=O)C3=CC=CN3)C)C)O[C@@H]1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC 1 4.9 3 6 0 -6.56910574817053 11957497 CCN(CCCl)CC1=CC=CC=C1Br.Cl Cl- 1 3.665 1 0 7.69675221278516e-002 11957493 C([C@@H](C(=O)O)N)Cl.Cl Cl- 1 -2.845 1 2 0 -5.53132670935951 11957483 C=CCN1CCC2=C(C(=C(C=C2[C@H](C1)C3=CC=CC=C3)O)O)Br.Br Br- 1 4.532 1 2 -0.900716510764519 11957479 C1=C(C(=CC(=C1O)O)F)C(CN)O.Cl Cl- 1 0.146 1 3 0 2.10270703147584 11957478 C[N+](C)(C)CCOC(=O)CBr.[Br-] Br- 1 -0.518 1 2 0 -4.11835695018185 11957475 C1CN(CCN1CC(C(C2=CC=CC=C2)C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl.Cl Cl- 1 5.359 2 1 5.98071742818493 11957454 CC(C(=O)OC(C)(C)CC1=CC=C(C=C1)Cl)N.Cl Cl- 1 2.695 1 2 -3.2660075512668 11957451 CC1C2CC3=C(C1(CCN2CC=C)C)C=C(C=C3)O.Cl Cl- 1 3.524 1 1 -1.50784703009569 11957445 C1CC1(C(=O)O)N.Cl Cl- 1 -3.086 1 2 0 -1.02027836430753 11957442 CN(C)C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N.Cl Cl- 1 -0.459 7 1 0 -5.82055486187286 11957325 C[N+]1=C2N(C3=CC=CC=C31)N=C(CS2)C4=CC=C(C=C4)Br.[Br-] Br- 1 4.992 3 0 -0.114904847113913 11957324 CCN(CC)CC#CCC(C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl Cl- 1 5.594 1 0 -1.26067817939315 11957323 CC(C)(C)N(C)CC#CCC(C1=CC=CC=C1)C2=CC=CC=C2.Cl Cl- 1 5.621 1 0 -4.14290241348615 11957322 CC(C)(C)NCC1=CC=CC=C1OCC2=CC=CS2.Cl Cl- 1 3.606 1 1 -5.89348274590513 11957321 C#CC[N+]1(CCCC1)CC#CC2=CC=CC=C2.[I-] I- 1 2.792 1 0 -1.53090537732693 11957320 C[N+]1(CCOCC1)CCOC2=CC=C(C=C2)[N+](=O)[O-].[I-] I- 1 0.179 2 4 0 -6.10103729010656 11957319 CC1(CC(CCS1)C2=NC(=CS2)C3=CC=C(C=C3)Cl)C.Cl Cl- 1 4.841 1 0 5.32006510144248 11957318 CN1C2=CC=CC=C2N=C1SCC(=O)NN=C/C=C\C3=CC=CO3 1 3.095 4 2 -6.53927873180963 11957316 CCC1=CC=C(C=C1)C(=NNC(=O)CNC(=O)/C=C/C2=CC=CO2)C 1 2.529 3 3 -13.3366038467918 11957315 C[N+]1(CCC(CC1)(C#N)C2=CC=C(C=C2)OC)C.[Br-] Br- 1 0.749 2 1 0 -4.17030252414122 11957314 CCCCCCCCC[N+]1=CC=CC2=C1C=CC3=CC=CC=C32.[Br-] Br- 1 7.152 1 0 5.66663126911342 11957313 CC1=CC=C(C=C1)C2=C(C=CC=N2)OC(=O)C34CC5CC(C3)CC(C5)C4.Cl Cl- 1 5.435 1 2 3.44766467481116 11957312 C/C(=C\C1=CC=CO1)/C=NNC(=O)CC2=CC=CS2 1 2.873 2 2 -8.43142395221348 11957311 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NN=CC3=CC=CO3 1 2.929 4 5 0 -19.5084533293275 11957310 CCOC(=O)C[N+]1=C(SC2=C1C=C(C=C2)OC)C.[Br-] Br- 1 2.65 1 3 -3.94289961563527 11957309 C1CCN(CC1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-].Cl Cl- 1 1.768 3 3 0 -6.65184838475411 11957308 C1CN(CCN1CCO)CCOC2=CC(=CC=C2)Cl.Cl Cl- 1 2.034 2 2 6.00559491129274 11957306 CCN1C2=C(C=CC(=C2)C(=O)OCC)[N+](=C1/C=C/NC3=CC=CC=C3)CC.[I-] I- 1 4.624 3 2 4.67868387781811 11957305 CCOC1=C(C=C(C=C1)CN=C(N)N=C(N)N)Cl.Cl Cl- 1 0.987 5 1 0 -1.20167187727402 11957304 CN(C)/C=C/1\C(=O)N(CS1=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 1.806 2 3 0 -2.65162318468121 11957303 C1=CC=C2C(=C1)/C(=C\C3=CC=CN3C4=CC=C(C=C4)OC(F)(F)F)/C(=O)N2 1 6.018 2 2 2.16928757648703 11957302 C[C@@H](C1=CC=CC=C1)NC(=O)CN2C=NC=N2 1 0.816 4 1 0 -17.9701542040313 11957301 COC1=C(C=C2C[C@@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O 1 2.573 1 4 -1.41366779944035 11957300 COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@H]5C6=CC(=C(C=C6CCN5)OC)O)O)O 1 5.723 2 6 0 -1.83995268327981 11957299 CN([C@@H]1[C@@H](COC2=C1C=C(C=C2)Br)CO)C(=O)NC3=C(C=C(C=C3)Cl)Cl 1 4.16 2 3 4.16292942928434 11957298 CN([C@@H]1[C@@H](COC2=C1C=CC=C2OC)CO)C(=O)NC3=C(C=C(C=C3)Cl)Cl 1 3.396 2 4 0.72832237509301 11957297 CN(C)C1=CC=C(C=C1)/C=C(\C(=O)NN=CC2=CC(=C(C=C2)[N+](=O)[O-])O)/NC(=O)C3=CC=CC=C3 1 3.454 5 5 0 -18.5128292056778 11957296 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C=CC=C3 1 2.972 3 2 -7.03964742520794 11957295 CN1C2=C(C=C(C=C2)S(=O)(=O)NC(C3=CC=CC=C3)C(=O)NC4CCCCC4)C(=O)N(C1=O)C 1 2.524 4 5 0 -27.1599993700765 11957294 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CN=CN3 1 0.588 4 2 0 -4.55501170329948 11957293 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC)N(C(=O)C1=O)C 1 1.245 3 6 0 -10.2899576994995 11957292 CC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 3.441 5 4 0 -15.1237985914419 11957291 CN1C2=C(C=C(C=C2)S(=O)(=O)NC(C3=CC=CC=C3)C(=O)NCC4=CC=CC=N4)C(=O)N(C1=O)C 1 1.314 5 5 0 -28.5806209074164 11957290 CC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 4.122 5 3 0 -10.9671507339851 11957289 CC1=CC=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4 1 3.356 3 4 0 -22.8090430597885 11957288 C1CCC2=CN(N=C2CC1)CC(=O)NC3=C(C(=CC(=C3F)F)F)F 1 3.914 3 1 -6.89418720526514 11957287 CCN1C2=C(C=C1NC(=O)NC3=CC=CC(=C3C)C)SC=C2 1 4.421 3 1 -8.10162566896511 11957286 CC1=CC(=CC(=C1)NC(=O)CN2C=C3CCCCCC3=N2)C 1 4.065 3 1 -7.50811285640442 11957285 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=C(C=CS4)NC3=O 1 2.617 3 5 0 -19.6613950185582 11957284 CC1=NN=C(S1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CS4)N 1 3.647 5 1 -9.36332792833251 11957283 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N4CCC5=CC=CC=C54 1 2.497 3 5 0 -23.5452037016163 11957282 CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3C(=CC(=N3)C4=CC=C(C=C4)Cl)N)C 1 4.905 3 5 0 2.97779090679845 11957281 CC1=CC=C(C=C1)N(C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C 1 2.612 3 5 0 -13.4549244487145 11957280 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=NC=CS4)OC1=O 1 1.052 4 5 0 -12.8847093195454 11957279 COC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.054 3 5 0 -18.482390977639 11957278 CCOC(=O)C1=C(N/C(=C/C2=CC(=CC=C2)OC)/C1=O)C 1 1.759 1 4 0 -13.1316995883151 11957277 C1CN(C(=C(/C=C(/[N+](=O)[O-])\Cl)[N+](=O)[O-])N1CC2=CN=C(C=C2)Cl)CC3=CN=C(C=C3)Cl 1 4.238 6 4 0 -0.54072523993326 11957276 CC1=C(C(=CC=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N)C 1 1.959 6 2 0 -23.0082579678118 11957275 CCC(C)(C(=O)NC1CCCCC1)N(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)CNC(=O)C 1 1.546 5 4 0 -25.6939323718906 11957274 CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 1.428 5 6 0 -14.3162905902981 11957273 COC1=CC=CC(=C1)CNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.867 3 4 0 -21.5079877778233 11957272 CC1=CC=C(C=C1)CNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.37 3 3 0 -20.9888662005489 11957271 CCCCNC(=O)CN1C2C(NC(=O)N2)NC1=O 1 -0.812 5 3 0 -19.4902778240308 11957270 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)NC(=O)NC5=NN=C(S5)C(F)(F)F 1 2.202 5 3 0 -4.70885660815008 11957269 CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N(C)CC4=CC=CO4 1 2.782 3 5 0 -12.391869131862 11957268 CCC1=CC=C(C=C1)N/C(=C(/C#N)\C(=O)NCC2=CC=CO2)/SCC3=CC=CC=C3C 1 5.686 3 2 -27.7911618901605 11957267 CN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)S/C(=C/C5=CC=CC=C5)/C1=O 1 3.713 4 2 -3.61166091272776 11957266 C1=CC=C2C(=C1)N=C(C3=NN=NN23)NC4=CC=CC=C4F 1 1.893 6 0 0 -4.97449405284051 11957265 CC1=C(SC2=C1C(=O)N(C(=O)N2CC(=O)NCC3=CC=CO3)C4=CC=C(C=C4)F)C 1 3.001 3 4 0 -16.4366698344386 11957264 CCC(C)NC(=O)C1C(N(C(=O)C2=CC(=C(C=C12)OC)OC)C)C3=CC=CS3 1 2.892 2 4 -16.5102774548003 11957263 CN1C(=O)CSC2=C1C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)OC)Cl 1 2.724 3 3 -8.55084373549261 11957262 CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=CC(=CC=C3)OC)C4=CN=CC=C4 1 2.205 3 5 0 -5.96601254371849 11957261 C1=CC=C2C(=C1)C=CC=[N+]2CC(=O)N.[I-] I- 1 1.488 2 1 0 -2.37567140926086 11957260 C1=CC=C2C(=C1)N=C(S2)SC3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCO 1 3.307 5 4 0 2.36632033664372 11957259 C1=CC(=CC=C1CCNC(=O)CSC2=C(SC=C2)[N+](=O)[O-])Cl 1 3.681 2 3 -11.5494900910989 11957258 CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N)C 1 2.445 6 2 0 -25.1422385563667 11957256 COC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(S2)Br 1 1.963 2 4 0 -11.6892433598732 11957255 CCN(CC)CCNS(=O)(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)O 1 -2.485 3 5 0 -14.2970889293159 11957254 COC1=CC(=CC(=C1OC)OC)NC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O 1 2.815 2 6 0 -11.5177492183454 11957253 C1=CC(=C(C=C1NC(=O)CCN2C(=O)C3=C(C=CS3)NC2=O)F)F 1 2.019 3 3 -11.1913060296184 11957252 CCN(CCNC(=O)C1=CC2=C(C=C1)N=C(C(=O)N2)C3=CC=CC=C3NC(=O)C)C4=CC=CC=C4 1 2.995 5 3 0 -19.2660613813808 11957251 C1=CC2=NSN=C2C(=C1)S(=O)(=O)N3C(=CC(=N3)C4=CC=C(C=C4)Br)N 1 3.832 5 2 0 -0.93790359916313 11957250 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4CCCO4)Cl 1 2.036 4 5 0 -21.8444255891312 11957249 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=CC=CC=N4)Cl 1 2.643 5 4 0 -14.7191063090489 11957248 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4=CC=C(C=C4)F)OC 1 2.786 4 5 0 -15.0633312749507 11957247 C1=CC(=CC=C1C(=O)/C=C\2/C(=O)NC3=CC(=CN=C3N2)Br)F 1 2.097 3 2 -3.56797915189264 11957246 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)OC 1 -0.302 4 6 0 -18.7459893635278 11957245 CC1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.571 4 4 0 -17.8056357042906 11957244 CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3N=C(NN3C2C4=CC(=CC=C4)F)SC)C)C 1 4.033 5 1 -16.9416972330344 11957243 CC1=CC=C(C=C1)CNC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CS2 1 2.984 2 3 -20.0906876671425 11957242 COC1=C(C=C(C=C1)CCNC(=O)CNS(=O)(=O)C2=CC=C(S2)Br)OC 1 2.027 2 5 0 -18.0609774861333 11957241 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 0.894 5 5 0 -12.3718341947076 11957240 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC(=O)OC)Cl 1 1.385 4 6 0 -20.6658616951925 11957239 CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 6.6e-002 4 5 0 -18.8144054601844 11957238 CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3N=CNN3C2C4=CC=C(C=C4)[N+](=O)[O-])C)C 1 2.442 6 3 0 -18.1875660163849 11957237 CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NCC4=CC=CO4)F 1 3.023 3 4 0 -15.2960504674942 11957236 COC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC(=O)NCC4=CC=CO4)OC 1 1.405 4 7 0 -20.7148648128391 11957235 C1OC2=C(O1)C=C(C=C2)NC3=C(N=C4N3C=CC=N4)C5=CC=C(C=C5)Cl 1 4.654 4 2 1.06035144119216 11957234 CC12CC(C3=CC=CC=C3O1)NC(=O)N2C4=CC=CC(=C4)C(=O)NCC5=CC=CC=C5 1 3.571 3 3 -13.8080011595505 11957233 CC1=CC(=C(C=C1)C)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N 1 1.959 6 2 0 -25.6957646968882 11957232 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NCC3=CC(=CC=C3)OC 1 3.536 1 4 -8.64205580275238 11957231 CC1=CC2=NC(=O)/C(=C\C3=CC(=C(C=C3)OCCOC4=CC=CC=C4OC)OC)/C(=N)N2O1 1 3.166 3 6 0 -14.2093813716416 11957230 CSC1=CC=C(C=C1)CCNC(=O)CSC2=C(SC=C2)[N+](=O)[O-] 1 3.559 2 3 -10.8852546127845 11957229 COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)NC4CCCCC4)OC 1 2.884 3 5 0 -11.4028073205915 11957228 C1CC1NC(=O)C2CCN(CC2)C3=NC=NC4=C3SC5=CC=CC(=C54)F 1 2.998 4 1 0.434130579559195 11957227 C1=CC2=C(C=CC(=C2N=C1)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)[N+](=O)[O-])Br 1 3.15 5 4 0 -8.69759767491315 11957226 COC1=CC=CC(=C1)C2C3=C(C(=O)N2C4=CC=C(C=C4)C(=O)O)NN=C3C5=CC=CC=C5 1 4.481 3 4 0 -7.44653734498701 11957225 C1CN(CCC1C(=O)NC2=NC=C(S2)[N+](=O)[O-])S(=O)(=O)C3=CN=CN3 1 -0.769 6 5 0 -3.60619003505182 11957224 COC1=CC(=CC(=C1OC)OC)CCNC(=O)C2=C3C=CC=CN3N=C2 1 2.121 3 4 0 -12.4449552651884 11957223 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NO4)C5=CC=C(C=C5)OC 1 5.449 4 3 0 -12.3368319127939 11957222 CCCC1=CC(=NO1)C(=O)NC2=NOC(=C2)C 1 1.904 3 3 0 -15.6231724026022 11957221 C1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)NC4=CN=CC=C4 1 3.087 3 1 -5.22993494874758 11957220 CCC1=CC2=C(S1)C=C3N2C=NN(C3=O)CC(=O)NCCCN4CC(CC(C4)C)C 1 3.378 5 2 0 -17.2304610403135 11957219 C1CCC(CC1)NC2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C54 1 3.197 3 3 -12.80883916079 11957218 CC1=CC=CC=C1CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)N5CCN(CC5)C6=CC=CC=C6 1 4.814 5 2 0 -7.58691349111726 11957217 COC1=CC=C(C=C1)CNC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCOCC4 1 1.432 3 5 0 -14.2002530340914 11957216 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)NC4CCCCC4 1 3.249 3 4 0 -8.10362817204004 11957214 CC1(C2=C(C=CC(=C2)C(=O)OC)[N+](=C1/C=C/C3=CC=CC=C3O)C)C.[I-] I- 1 4.329 1 3 7.41257867011118 11957213 CCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCOCC4 1 3.507 4 2 -6.26714504323288 11957212 COC(=O)C1=CC(=CC(=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC=CO4)C(=O)OC 1 3.13 2 6 0 -10.2266206054634 11957211 CCOC1=CC=C(C=C1)C2=CC(=NO2)CCCC(=O)NCC3=CC=C(C=C3)C 1 4.658 2 3 -13.0200282101125 11957210 C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)CNC3=CC=CC=C3 1 2.861 5 3 0 -7.31615604516475 11957209 CC(=O)OCCCNC1=C(C2=NON=C2C(=C1)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-] 1 3.748 5 5 0 -2.28603830793499 11957207 CC1(C2=C(C=CC(=C2)C(=O)OC)[N+](=C1/C=C/C3=CC=C(C=C3)O)C)C.[I-] I- 1 4.329 1 3 6.35918201726055 11957206 COC1=CC=C(C=C1)CN/C=C\2/C(=O)C3=C(N2)C=CC(=C3Cl)Br 1 3.428 2 2 -5.91389763208365 11957205 CC1=CC(=C(C=C1)C)NC(=O)C2=C3C=CC=CN3N=C2 1 2.815 3 1 -6.90598341480904 11957204 C1=CC(=CC=C1CN2C3=C(C=C2C(=O)NC4=NC=CS4)SC=C3)Cl 1 4.604 3 1 -5.24784273477583 11957203 CC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N4C2=NN=C4 1 3.185 5 0 0.907743217131477 11957202 CC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)/C(=C/C4=CC=CO4)/C 1 4.45 4 2 -5.50631364769426 11957201 CC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)C=C(O4)C)OC 1 3.669 3 5 0 -12.1511017748167 11957200 CCOC(=O)C1=CN(N=N1)CC(=O)NC2=C(C(=CC=C2)Cl)C 1 2.432 4 3 0 -16.2377575543223 11957199 COC1=C/C(=C/NNC2=NN3C=NN=C3C4=CC=CC=C42)/C=CC1=O 1 0.598 6 2 0 -3.32194005806723 11957198 CC1=C(C(=O)N2C(=N1)C=C(N2)C3=CC(=CC(=C3)OC)OC)CCC(=O)O 1 1.111 3 5 0 -9.69277532380973 11957197 CC1CCN(CC1)C2=NN=C(S2)NC(=O)CN3C4=CC=CC=C4OC3=O 1 1.909 5 3 0 -10.1835719257135 11957196 C1CCCN(CC1)C2=NN=C(S2)NC(=O)CN3C4=CC=CC=C4OC3=O 1 2.113 5 3 0 -8.77517373170462 11957195 CC1CCCC(N1C2=NN=C(S2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br)C 1 4.285 5 2 0 -8.59750515260601 11957194 CC1CCCN(C1)C(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCCCC4 1 2.377 3 3 -7.57211142757795 11957193 C1CCC(C1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCOCC4 1 1.107 3 4 0 -8.98614610308536 11957192 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCOCC4 1 1.768 3 4 0 -6.97094878931055 11957191 COCCNC(=O)CSC1=NC2=C(C=C(C=C2)N3CCOCC3)C(=O)N1CC4=CC=C(C=C4)OC 1 2.582 4 5 0 -22.774557973101 11957190 COC1=CC(=C(C=C1NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)Cl)OC 1 1.508 3 5 0 -20.9943468594606 11957189 COC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC(=O)NCC4=CC=CO4 1 1.421 4 6 0 -15.7977122729503 11957188 COC1=C(C=C(C=C1)Cl)NC(=O)CS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.768 3 4 0 -8.32505359775821 11957187 CC1=CC(=CC=C1)CCNC2=NC3=CC=CC=C3N4C2=NN=N4 1 2.502 6 0 -4.7307883443566 11957186 CC1=CC=C(C=C1)N/C=C\2/C(=O)OC(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 3.502 3 4 0 -5.55300672792229 11957185 C1=CC=C2C=C(C=CC2=C1)N/C=C\3/C(=O)OC(=N3)/C=C/C4=CC(=CC=C4)[N+](=O)[O-] 1 3.924 3 4 0 -4.10195345981701 11957184 CC1=C(C=CC(=C1)OCCN2C=C(C3=CC=CC=C32)/C(=N/O)/N)Cl 1 4.181 3 2 -0.719842551949776 11957183 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5S(=O)(=O)C4 1 3.827 2 3 -2.70742300330152 11957182 C1CN(CCN1C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CN=CN3 1 1.252 4 2 0 -2.47170981757043 11957181 CN(C)C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCCCC4 1 2.68 4 3 0 -11.1402390672158 11957180 C1=CC=C2C(=C1)N=C(S2)SC3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO 1 3.369 5 4 0 2.84384563039641 11957179 C1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)NC4=NC=C(C=C4)Cl 1 3.818 3 1 -2.50526720332439 11957178 C1CC1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3 1 2.6 2 2 -11.1963166791161 11957177 C1=COC(=C1)CSC2=CC=C(O2)/C=C/3\C(=N)N4C(=NC3=O)SC=N4 1 3.179 4 3 0 -10.8983551260395 11957176 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCN3C(=O)C4=C(C=C(C=C4)Cl)NC3=O 1 2.793 5 5 0 -8.48146891379272 11957175 CC1=CC(=NC2=NC(=C(N12)NC3=CC4=C(C=C3)OCCO4)C5=CC=CO5)C 1 3.967 4 3 0 -3.54811512419705 11957174 C1CN(CCC1C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)C3=CN=CN3 1 -0.752 5 5 0 -16.3037510441769 11957173 CC1=CC(=CC(=C1)NC(=O)CCC2=NC3=CC=CC=C3N2)C 1 3.578 3 1 -8.24148524068889 11957172 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4)C 1 2.26 4 4 0 -11.5671595070214 11957171 CCCCN(CC1=CC=CO1)C(=O)CN2C3=C(C=N2)C(=O)OC4=C3C=C(C=C4)C 1 3.737 3 4 0 -17.489652965226 11957170 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C3=NN=C(O3)SCC(=O)N)N.Cl Cl- 1 0.774 5 2 0 -14.2514937029847 11957169 C(CN)C1=NN=C(O1)SCC(=O)N.Cl Cl- 1 -1.312 4 2 0 -17.6329761346423 11957168 CN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CS3.Br Br- 1 2.368 3 1 -7.70592513832644 11957167 C1=C/C(=C\NNC(=O)CC2=NNC(=O)NC2=O)/C(=O)C=C1 1 -1.557 5 4 0 -21.53927003434 11957166 CCC1=CC=[N+](C=C1)C\2=NC(=O)S/C2=C\[O-] 1 2 2 2 0 -3.43329165469281 11957165 CC1=CC(=C[N+](=C1)C\2=NC(=O)S/C2=C\[O-])C 1 2.03 2 2 -3.51144342796059 11957164 CC(C)C1=CC=[N+](C=C1)C\2=NC(=O)S/C2=C\[O-] 1 2.252 2 2 -3.05073746410457 11957163 CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)OC.Br Br- 1 2.747 3 2 -3.79115111233468 11957162 C[C@@H](C1=NN=C(O1)SCC(=O)N(C)C)N.Cl Cl- 1 -0.664 4 2 0 -16.5857730154344 11957161 C[N+](C)(CC#C)C(CC=C)C#CC1=CC=CC=C1.[Br-] Br- 1 3.298 1 0 -3.30554567187866 11957160 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C(C)C)C(=O)NC3CCS(=O)(=O)C3 1 1.008 3 6 0 -34.7235096405972 11957159 C1=CC=C2C(=C1)C(=N)C=CN2CC(=O)NC(=O)N.Cl Cl- 1 0.255 4 2 0 -12.2479613453783 11957158 CCCCCOC1=C(C=C(C=C1)CSC(=N)N)[N+](=O)[O-].Cl Cl- 1 3.67 3 3 -4.90310603744312 11957157 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NCCO 1 -0.852 3 4 0 -13.5802329319684 11957154 C1CCC2=C(C1)C(=C(S2)N3C(=O)[C@H]4[C@@H](C3=O)C5(C6=C(C=CC(=C6)Cl)NC5=O)NC4CC(=O)N)C#N 1 1.565 5 4 0 -12.1911490018623 11957153 CN1C2=C(C(=O)N(C1=O)C)N/C(=C\3/C=CC=CC3=O)/N2 1 -0.264 4 3 0 -12.6876750724244 11957152 CCOC(=O)C1=C(C2=C(N3C(C(=C(C3=CC2=N1)C)C)C)C)C.Cl Cl- 1 4.363 2 2 -4.01202093949844 11957151 C1OC2=C(O1)C=C(C=C2)CN3C(=O)[C@@H]4[C@H](C3=O)C5C6=CC=CC=C6C=CN5[C@@H]4C(=O)C7=CC=CS7 1 3.19 2 5 0 -5.99895831000501 11957150 CC1=CSC(=N1)NCC(=O)C2=CNC3=C2C=C(C=C3)OC.I I- 1 1.979 3 2 0 3.91725202268167e-003 11957149 C1=CC=C(C(=C1)CNCCNC(=O)C2=NON=C2N)OCC3=CC=C(C=C3)F.Cl Cl- 1 2.022 5 3 0 -12.1264985111745 11957148 CC1=C(C2=C(C=C1)C3([C@H]4[C@@H](C(N3)CC(=O)N)C(=O)N(C4=O)C5=C(C6=C(S5)CCCC6)C#N)C(=O)N2)C 1 1.874 5 4 0 -10.5912863882818 11957147 CC1=CC(=NN1CC(=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)C)[N+](=O)[O-] 1 3.468 5 4 0 -13.8804251618415 11957146 CC1=C(C=C(C=C1)N2C(=O)/C(=C/NC3=CC4=C(C=C3)NC(=O)N4)/C(=N2)C)C 1 2.211 5 2 0 -13.8935756290142 11957145 CC\1=NN(C(=O)/C1=C/NC23CN4CN(C2)CN(C3)C4)C5=CC(=CC=C5)Cl 1 0.889 6 1 0 -2.88591582734019 11957144 CCC(=O)NN=C(C)CC(=O)NC1=CC2=CC=CC=C2C=C1 1 1.866 3 2 0 -4.14738535590339 11957143 CC1=CC=C(C=C1)C\2=NN=C(/C2=N/NC3=CC=CC=C3C)N 1 3.742 5 0 0.950184433711332 11957142 CC1=CC=C(C=C1)C\2=NN=C(/C2=N/NC3=C(C(=CC=C3)Cl)C)N 1 4.406 5 0 3.37931787808991 11957141 CC1=CC=CC=C1NN=C(C(=O)C)N2CCOCC2.Cl Cl- 1 1.489 3 2 0 -4.10674495356764 11957140 CC\1=NN(C(=O)/C1=C/NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=C(C=C4)F 1 3.63 4 1 -14.5814999651663 11957138 CC1=CC=CC(=C1)/C=C/2\C3CCC(N3C)/C(=C\C4=CC=CC=C4C)/C2=O.CS(=O)(=O)O CS(=O)(=O)O 1 5.398 1 1 4.44537699269131 11957137 CCCCNCC1=CC=C(C=C1)SC.Cl Cl- 1 3.238 1 0 1.56360152644369 11957136 CC(C)OCC(CN1CCNCC1)O.Cl Cl- 1 -0.174 2 2 0 -9.64781628446127 11957135 CC(C)(C)NC(=O)C(=O)NN=CC1=CC=CS1 1 1.257 3 2 0 -12.3440093762689 11957134 CCOC(=O)NC(C(Cl)(Cl)Cl)SC1=CC=CC=C1 1 4.353 1 2 -6.58116424571039 11957133 COC1=C(C=C(C=C1CNCCNCCO)Cl)Cl.Cl Cl- 1 1.743 2 2 0 5.90573002231009 11957131 C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC(=N)N)C3=CC=CC=C3Cl.Br Br- 1 3.386 4 1 -5.88546035543012 11957130 CCN(CC)CC1=CSC2=C1C=C(C=C2)Br.Cl Cl- 1 4.211 1 0 1.31749912853626 11957128 CCOC(=O)C1=C(C(NC(=S)N1)C2=CC=CC=C2)C 1 2.904 2 2 -14.1947232246575 11957127 C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)NN=CC3=CC=CC=C3Br 1 4.785 2 2 -0.708205704330773 11957126 CSC1=CC=C(C=C1)CNC2CC2.Cl Cl- 1 2.399 1 0 4.84558084932476 11957125 COC1=C(C=C(C=C1)[N+](=O)[O-])C=NNC(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CC=C3 1 3.471 4 5 0 -18.3333870265365 11957124 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NN=C/C=C/C2=CC=CO2 1 2.168 3 5 0 -5.67322141765829 11957123 CCCCCCCC(=NNC(=O)CC(=O)NCCC1=CC=CC=C1)C 1 3.567 3 2 -13.576646581196 11957122 C1CC(=C(C(=O)C1)[N+](=O)[O-])NCCCCCCNC2=C(C(=O)CCC2)[N+](=O)[O-] 1 1.64 4 6 0 -10.5260488124351 11957121 CCOC1=C(C=C(C=C1)Cl)CNCCNCC(C)O.Cl Cl- 1 1.805 2 2 0 3.21023811125569 11957120 CCOC1=C(C(=CC(=C1)CNCC2=CC=NC=C2)Br)OCC3=CC=CC=C3F.Cl Cl- 1 4.653 2 2 -2.34259751705012 11957119 CCN(CCO)CC1=CSC2=C1C=CC=C2Br.Cl Cl- 1 3.323 1 1 4.92734558484695 11957118 COC1=C(C=CC(=C1)CNCCN2CCOCC2)OCC3=C(C=C(C=C3)Cl)Cl.Cl Cl- 1 4.073 2 3 -3.29756543612373 11957117 CCOC1=C(C=C(C=C1)Cl)CNCCNCCO.Cl Cl- 1 1.427 2 2 0 4.49751670717858 11957116 CCN=C(NN=CC1=CC=C(C=C1)[N+](=O)[O-])SC.I I- 1 2.724 4 2 -4.40564646684498 11957114 CS/C(=N/N=CC1=CC=C(C=C1)[N+](=O)[O-])/N.I I- 1 2.169 4 2 3.84335971010261 11957113 COC1=C(C=CC(=C1)CNCC2=CC=CC=N2)OCC3=C(C=C(C=C3)Cl)Cl.Cl Cl- 1 4.895 2 2 -0.725453675700386 11957112 COC1=C(C=CC(=C1)CNCCN2CCOCC2)OCC3=CC=CC=C3Cl.Cl Cl- 1 3.409 2 3 -5.70525440553877 11936614 C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)NC3=NC=CS3 1 1.382 3 3 0 -14.3027665415343 11923600 COC1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3SC2=O 1 1.633 1 4 0 -8.7921700599489 11922845 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)C#N 1 2.265 3 3 -12.9888674712025 11920966 C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)COC4=CC5=C(C=C4)C=CC(=O)O5 1 1.027 2 5 0 -12.1236335979696 11920923 CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)N4CCC[C@H]4C(=O)O)(C)C 1 2.77 1 7 0 -14.9714905760399 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1 3.986 2 0 2.31362403312273 11842289 CC(C)NC(=O)N1CC(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.02 3 1 -6.44226257848401 11842288 CC(=O)N1CC(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.298 2 1 3.16261338336404e-002 11842277 CC1C(N(C2=C(N1)NC(=NC2=O)NC(=O)C(C)(C)C)C)C 1 1.136 5 2 0 -17.5099487194813 11842269 COCN1C2=CC=CC=C2C=C1C(C3=CC=CC=C3)O 1 3.373 1 2 -4.64165513747545 11842267 C1=CC=C(C=C1)C(CN2C=CC3=CC=CC=C32)O 1 3.402 1 1 -4.52490444315215 11842262 C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(C4=CC=CC=N4)O 1 3.951 2 3 -4.86123756473317 11842224 C1=CC=C(C=C1)/C(=C(\C(=O)C2=CC=C(C=C2)[N+](=O)[O-])/[N+]3=CC=CC=C3)/[O-] 1 3.24 2 4 -6.14763895446339 11842168 C1CCN2CCOC(C2C1)C3=CC=CC=C3 1 2.565 1 1 1.12857505147617 11842166 C1CCN2C(C1)C(OCC2=O)C3=CC=CC=C3 1 1.692 1 2 0 -2.4740967882011 11842165 CC(=O)NC1CCC2=C(C1=O)C=CC=C2OC 1 1.279 1 3 0 -7.18766783900483 11842158 C1=CC=C(C=C1)C(CC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)O 1 3.198 1 3 -10.337438191265 11842155 C1C=CCC(C1C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)O 1 3.93 2 4 -6.81611665857355 11842154 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CC=CCC3C(=O)O 1 2.585 2 5 0 -8.84917156093111 11842150 C1C=CCC(C1C(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F)C(=O)O 1 2.807 2 4 -7.72432832632172 11842149 CC(C)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CCCCC3C(=O)O 1 4.24 2 4 -7.84418229493371 11842145 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CCCCC3C(=O)O 1 3.029 2 5 0 -8.54060820072948 11842143 C1CCC(C(C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)Cl)C(=O)O 1 3.71 2 4 -5.47616696140468 11842141 C1CCC(C(C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F)C(=O)O 1 3.251 2 4 -7.41576496612009 11842140 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3NC(=O)C4CC=CCC4C(=O)O 1 2.86 3 4 0 -7.00314984952656 11842136 C1C=CCC(C1C(=O)NC2=CC=CC=C2C(=O)NC3=C(C=C(C=C3)F)F)C(=O)O 1 3.012 2 4 -7.82342453968163 11842135 CC(C)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CC=CCC3C(=O)O 1 3.795 2 4 -8.15274565513534 11842134 C1C=CCC(C1C(=O)NC2=CC=CC=C2C(=O)NC3=C(C(=CC=C3)Cl)Cl)C(=O)O 1 3.93 2 4 -8.22172255045157 11842132 C1CCC(C(C1)C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C(=O)O 1 3.51 3 4 0 -5.55299327170505 11842131 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4CCCCC4C(=O)O 1 3.288 3 5 0 -8.62724741780089 11842130 CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4CCCCC4C(=O)O 1 3.791 3 4 0 -6.2648702971703 11842129 CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4CCCCC4C(=O)O 1 3.791 3 4 0 -4.02220711308347 11842128 C1CCC(C(C1)C(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C(=O)O 1 3.374 2 4 -12.1660573143665 11842127 C1CCC(C(C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)O 1 3.916 2 4 -6.22917910013503 11842118 CC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4CCCCC4C(=O)O 1 4.539 3 3 1.21023833800651 11842098 CCC(=O)N1COC[C@@H]1CC2=CC=CC=C2 1 1.85 1 2 0 -4.83867870415659 11842087 CCC(=O)N1C(COC1(C)C)CC2=CC=CC=C2 1 1.967 1 2 0 -3.27577699444091 11841956 CCC(CO)NCC1=CC(=C(C=C1Br)OCC(=O)NCCC2=CC=CC=C2)OC 1 3.409 2 4 -10.4748717087296 11841949 CC1=C(C=CC(=C1)N2C(=O)/C(=C\NCCCOC)/C(=N2)C)Br 1 1.687 3 2 0 -10.9171750466523 11841944 CC1=C(C(=NN1C(C)C2=NC(=NO2)C3=CC(=C(C=C3)OC)OC)C)[N+](=O)[O-] 1 2.42 5 5 0 -1.65369479564029 11841943 CC1=C(C(=NN1C(C)C2=NC(=NO2)C3=CC=CC=C3)C)[N+](=O)[O-] 1 2.453 5 3 0 1.76042671734812 11841942 CC1=C(C(=NN1C(C)C2=NC(=NO2)C3=CC(=CC=C3)OC)C)[N+](=O)[O-] 1 2.437 5 4 0 3.76231008095965 11841929 CC(C(=O)O)NS(=O)(=O)C1=CC=CC(=C1)S(=O)(=O)C2=CC=CC=C2 1 1.809 1 6 0 -20.2657073974708 11841888 CN(C)P(=O)(N(C)C)OC1=CC=CC=C1C(C2=CC=C(C=C2)OC)O 1 1.893 2 4 0 -3.14384366680541 11841887 CN(C)P(=O)(N(C)C)OC1=C(C=C(C=C1)OC)C(C2=CC=C(C=C2)OC)O 1 1.876 2 5 0 -2.60690607515645 11841885 C1CC2C(=O)N(C(=O)N2C1)CCCCN3CCN(CC3)CCO 1 4.7e-002 4 3 0 -0.580546243721997 11841883 C1CC2C(=O)N(C(=O)N2C1)CCN3CCN(CC3)CCO 1 -0.596 4 3 0 -3.73143188457376 11841881 C1CC2C(=O)N(C(=O)N2C1)CCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 2.558 4 2 3.9368323863453 11841880 C1CC2C(=O)N(C(=O)N2C1)CCN3CCN(CC3)C4=CC=CC=C4 1 1.616 4 2 0 -1.91692208448025 11841877 CN1C2CCC1CC(C2)NC(=O)C3=CC(=CC4=C3N=CN4)Cl 1 1.847 4 1 0 -2.53921300835203 11841861 CC(C1=CC=CC=C1)NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 4.552 1 1 -6.48955139409631 11841742 CC1=C(C(=CC=C1)C)NC(=O)C(C)C2=CC(=C(C=C2)C3=CC=CC=C3)F 1 5.808 1 1 -1.14105370413592 11841739 CC1=CC=C(C=C1)NC(=O)C(C)C2=CC(=C(C=C2)C3=CC=CC=C3)F 1 5.322 1 1 -0.643945656638105 11841736 CC1=CC(=C(C=C1)NC(=O)C(C)C2=CC(=C(C=C2)C3=CC=CC=C3)F)C 1 5.808 1 1 -2.75732873366764 11841733 CC1=CC=CC=C1NC(=O)C(C)C2=CC(=C(C=C2)C3=CC=CC=C3)F 1 5.322 1 1 -2.58825550547163 11841732 CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)NC3=CC=CC=C3 1 4.835 1 1 -1.0936312570597 11841693 CC1CN2C(=CSC2=N1)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.101 3 2 -2.42613843809957 11841689 CN1C(=CC=C1)/C=C/2\C(=O)/C(=C\C3=CC=CN3C)/C4N(C2CC4)C 1 3.608 3 1 -0.851376774647484 11841648 CCOP(=S)(C(CCCCCN1C(=O)C(=CN(C1=O)C2CCCO2)F)O)OCC 1 1.447 2 6 0 -15.6902731328088 11841629 C1=CC=C(C=C1)C(C2=CC=[N+](C=C2)[O-])O 1 0.843 1 2 0 -5.48339855217401 11841616 COC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CNCC4CCCO4 1 2.424 3 3 -9.95759969709832 11841602 COC1=CC(=C(C(=C1)OC)C2=NO[C@H]([C@@H]2C(=O)OC)C(=O)OC)OC 1 1.235 1 8 0 -8.60588849414954 11841599 CC1CC(=NC2=CC=CC=C2N1C)NNC(=O)C 1 0.853 4 1 0 -6.59564887815443 11841593 CC12C=CC=CN1C(=C(C(=C2C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC 1 0.529 1 8 0 -7.04212409513659 11841589 COC(=O)C1=C(C2(C=CC=CN2C(=C1C(=O)OC)C(=O)OC)C=C)C(=O)OC 1 0.797 1 8 0 -8.09545097210161 11841586 C1C(CC(=O)C=C1C2=CC=CC=C2)/C=C/C3=CC=CC=C3 1 4.521 0 1 -1.34601232393358 11841561 CC1=C(C(=C2C3=C(C(=O)NC(N3)C4=CC=C(C=C4)OC)SC2=N1)C5=CC=C(C=C5)Cl)C(=O)C 1 4.839 3 3 -1.05885678173111 11841560 CC1=C(C(=C2C3=C(C(=O)NC(N3)C4=CC=CC=C4)SC2=N1)C5=CC=C(C=C5)OC)C(=O)C 1 4.174 3 3 -3.33320915657817 11841414 CC(C1=CC(=CC=C1)NC(=O)CCCC2=CC=CC=C2)O 1 3.334 1 2 -9.20670917021554 11841407 CC(C1=CC(=CC=C1)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)O 1 4.162 1 2 -9.57222842876483 11841386 CC(C1=CC(=CC=C1)NC(=O)C2CCCCC2)O 1 2.849 1 2 -1.90215649946709 11841308 CC(C(=O)NC1CCCC1)OC2=C(C=C(C=C2)Br)Br 1 4.256 1 2 -7.75471786755385 11841171 CCOC(=O)C1=NN(C2=NC(=C(C(N12)C3=CC=C(C=C3)C)C(=O)OC)C)C4=CC=CC=C4 1 3.99 4 4 0 -20.6117547665194 11841169 CCOC(=O)C1=NN(C2=NC(=C(C(N12)C3=CC(=CC=C3)OC)C(=O)OC)C)C4=CC=CC=C4C 1 3.973 4 5 0 -19.0195995318297 11841157 CC1=CC=C(O1)C2CC(=NN2C(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5 1 4.748 4 3 0 -13.964187514686 11841141 CC1=CC=C(O1)C2CC(=NN2C(=S)NC3=CC=CC=C3)C4=CC=CC=C4 1 5.252 3 1 -11.7116424068378 11841139 C=CCNC(=S)N1C(CC(=N1)C2=CC=CO2)C3=CC=CO3 1 3.264 3 2 -14.6484382974551 11841124 CN1CCN(CC1)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CO4 1 1.957 4 2 0 -7.49028299708886 11841123 CCN(CC)CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CO3 1 2.697 3 2 -9.71030688787086 11841121 CC1=CC=C(C=C1)NC(=O)N2C(CC(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F 1 5.221 3 1 -4.51722861367494 11841117 C1C(N(N=C1C2=CC=CS2)C(=O)NC3=CC=CC=C3)C4=CC=CS4 1 4.124 3 1 -6.93887357918761 11841109 C1C(N(N=C1C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 4.827 2 1 -6.14342815637169 11841105 CC1=CC(=NC2=C1C(=C(S2)C(=O)N3C(CC(=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)N)C 1 5.051 4 1 -5.42294782425953 11841102 CC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=C(C4=C(S3)N=C(C=C4C)C)N)C5=CC=C(C=C5)C 1 5.612 4 1 -6.32312144405859 11841101 CC1=CC(=NC2=C1C(=C(S2)C(=O)N3C(CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)N)C 1 4.64 4 1 -6.52840747013091 11841099 CC1=CC(=NC2=C1C(=C(S2)C(=O)N3C(CC(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)N)C 1 5.304 4 1 -3.93886090118065 11841097 CC1=CC(=NC2=C1C(=C(S2)C(=O)N3C(CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)N)C 1 5.304 4 1 -3.96102363323561 11841096 C=CCN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=CO3)C4=CC=CO4)C5=CC=NC=C5 1 2.996 6 3 0 -17.3263852494928 11841095 CC1=CC=C(O1)C2CC(=NN2C(=O)CSC3=NN=C(N3C)C4=CC=NC=C4)C5=CC=CC=C5 1 3.129 6 2 0 -15.9503383587592 11841044 CC1=CC=C(C=C1)N/N=C/2\C(=NN3C2=NC4=C(C3=O)CCCC4)N 1 2.453 6 1 0 -7.99987833351296 11841040 C1CCC2=C(C1)C(=O)N3C(=N2)/C(=N/NC4=CC=CC=C4)/C(=N3)N 1 1.966 6 1 0 -8.15653247188631 11841017 C1C(C(=N)C(=O)O1)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 2.165 2 3 -9.09654821366439 11840890 C1COCCN1CC(=O)NC2=CC=CC=C2C3COC(=O)C3=N 1 0.194 3 4 0 -11.1725929147321 11840889 C1CCN(CC1)CC(=O)NC2=CC=CC=C2C3COC(=O)C3=N 1 1.424 3 3 0 -8.77398670381999 11840887 CC1=C(C(N2C(=C(SC2=N1)C#N)N)C3=CC(=CC=C3)OC)C(=O)OC 1 1.83 4 3 0 -21.4073045531835 11840886 CC(=O)NC1=C(C=C(C=C1)Cl)C2COC(=O)C2=N 1 1.165 2 3 0 -5.77706765884364 11840884 COC1=CC(=C(C=C1)C2COC(=O)C2=N)NC(=O)C3=CC=CC=C3 1 2.149 2 4 -8.35837430220186 11840882 COC1=CC(=C(C=C1)C2COC(=O)C2=N)NC(=O)C3=CC=C(C=C3)Cl 1 2.813 2 4 -5.74072804410569 11840881 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2C3COC(=O)C3=N 1 2.116 2 6 0 -12.0252625816864 11840880 C1C(C(=N)C(=O)O1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F 1 2.37 2 3 -7.42061062367739 11840877 CC(=NC1=CC=CC=C1C2COC(=O)C2=N)C 1 1.283 2 2 0 -2.62865263957168 11840826 CC1=NN(C=C1C(C2=C(NC(=S)NC2=O)N)C3=C(NC(=S)NC3=O)N)C4=CC=CC=C4 1 1.582 8 2 0 -2.15397158661194 11840691 CCOC(=O)[C@]12C3CCCOC3[C@]1(NC(=O)C2=O)C4=CC=CC=C4 1 1.1 1 5 0 -7.24470461544626 11840671 COC1=CC(=CC=C1)OCC2=NN3C(=O)C(=NN=C3S2)C4=CC=CC=C4 1 3.754 4 3 0 -5.33949802971126 11840418 CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 3.08 2 3 -13.4422562208424 11840212 CCOC(=O)N1C2C=C([C@@H]2[C@H]3N1C(=O)C3)C 1 0.449 2 3 0 -2.55543632963997 11840214 CCOC(=O)N1C=CC(=C[C@H]2N1C(=O)[C@@H]2N3C(=O)C4=CC=CC=C4C3=O)C 1 1.145 3 5 0 -8.81409551219688 11840216 CCOC(=O)N1C=CC=C[C@H]2N1C(=O)[C@@H]2N3C(=O)C4=CC=CC=C4C3=O 1 0.699 3 5 0 -8.71799094218565 11840227 CC1CCCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=C(C(=C(C=C3)OC)OC)OC 1 3.274 2 5 0 -13.1095862316164 11840108 CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4CCCO4 1 3.22 2 3 0.903446212660302 11840107 C1CC(OC1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4 1 2.734 2 3 -2.33732862976349 11840103 C[C@H]1C2CC(C2(C)C)CC1NC(=O)C3=CC=CC=C3 1 3.349 1 1 -5.33554271692056 11840070 CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=CC=CC=C3OC)C(=O)C1)C 1 1.689 4 2 0 -21.5065379149633 11840060 CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCC3CCCO3)C 1 2.721 2 4 -21.7503042837414 11840058 CC1=CC=C(O1)/C=C(/C(=O)NCCC2=CC=CC=N2)\NC(=O)C3=CC=CC=C3 1 2.431 3 3 -20.110694851845 11840028 CC1=CC(=O)OC2=C1C=CC(=C2C(=O)/C=C\C3=CC=CS3)O 1 3.929 0 4 -2.19111380832035 11840027 C1=CSC(=C1)/C=C\C(=O)C2=C(C=CC3=C2OC(=O)C=C3)O 1 3.483 0 4 -2.49249936132218 11839800 C1=CC(=O)/C(=C\2/NNN=N2)/C=C1[N+](=O)[O-] 1 0.57 5 3 0 -5.57462870043495 11839640 CC1=CC(=NC=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)OC3=CC=CC=C3 1 4.258 3 3 -10.3118165815295 11839626 CCC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3=NC=CC(=C3)C)Cl 1 4.891 3 2 -10.6986091442721 11839563 CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC2=CC(=C(C=C2)O)C(=O)OC 1 4.375 1 4 -2.90992733875838 11839529 CCC(C1=CC=CC=C1)C(=O)NC2=C(N=CC=C2)Cl 1 3.291 2 1 -8.50380166860168 11839484 COC1=CC=CC(=C1)C(=O)NC2CCCC3=CC=CC=C23 1 3.62 1 2 -6.79801808395691 11839518 CCC(C)C(=O)NC1=CC(=CC=C1)SC 1 3.077 1 1 -6.10355942597637 11839503 CC1=CC=CC=C1S(=O)(=O)NCC2CCCO2 1 1.586 1 3 0 -10.9921593801466 11839497 CCCCC(CC)C(=O)NC1=CC(=CC=C1)SC 1 4.446 1 1 -4.99003083417449 11839466 CC1=CC(=C(C=C1)OCC(=O)NC2CCCC3=CC=CC=C23)C 1 4.445 1 2 -5.80901633752632 11839411 CC1=CC(=C(C(=C1)C)NC(=O)C(C)C2=CC=CC(=C2)C(=O)C3=CC=CC=C3)C 1 5.974 1 2 -7.81431988257831 11839407 CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)O 1 4.274 1 3 -6.38930558435154 11839399 CC(C1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)Br)Br 1 4.495 1 1 -4.00121457166598 11839386 CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)Br)Br 1 4.495 1 1 -5.27395967612962 11839301 CCN1C(=O)/C(=C\C2=CC(=C(C(=C2)OCC)OCC3=CC=C(C=C3)C(=O)O)CC=C)/NC1=O 1 3.828 2 6 0 -15.4092051318425 11839293 CC1=C(C(=CC=C1)C)NC(=O)CN2C(=O)/C(=C/C3=CC=CN3C)/SC2=O 1 3.348 3 3 -11.4598309137773 11839291 CC1=CC=CC=C1NC(=O)CN2C(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/SC2=O 1 4.068 3 5 0 -8.88241695825033 11839290 CC1=CC(=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/SC2=O)C 1 4.554 3 5 0 -9.12250895693397 11839289 CC1=C(C(=CC=C1)C)NC(=O)CN2C(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/SC2=O 1 4.554 3 5 0 -8.86362417119337 11839287 COCCN1C(=O)/C(=C/C2=CC(=C(C=C2OC)N3CCCC3)OC)/SC1=NC4=CC=CC=C4 1 4.444 3 4 0 -5.98451977052899 11839286 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=CN3C)/SC2=O 1 2.861 3 3 -9.1429096059718 11839280 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C\C3=C(N(C(=C3)C)C4=CN=CC=C4)C)/NC2=O 1 2.081 5 3 0 -10.540721280251 11839276 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/SC2=O 1 4.068 3 5 0 -4.89628944080519 11839273 COCCCN1C(=O)/C(=C/C2=CC(=C(C=C2OC)N3CCCC3)OC)/SC1=NC4=CC=CC=C4 1 4.507 3 4 0 -5.74770151212848 11839272 C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/SC2=O)F 1 4.734 2 4 -2.85155613742212 11839138 CC1=CC(=CC=C1)N/N=C\2/C(=C(C(=O)NC2=O)C#N)C 1 2.113 4 2 -5.10989016696143 11839093 CCOC([C@@H]1[C@H]([C@@H]([C@@H](N1)C2=CC=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3)O 1 3.468 2 4 1.03291982009356 11839076 CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CCCN2C(=C(C(=N2)[N+](=O)[O-])Cl)C 1 4.076 4 7 0 -24.4141616994749 11839063 C1CC[C@@H]([C@@H](C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)C(=O)O 1 2.361 2 5 0 -4.82288609790611 11839061 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)C 1 3.721 2 5 0 -7.57734505874182 11839058 CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)C)NC(=O)[C@@H]4CCCC[C@@H]4C(=O)O 1 5.183 2 6 0 -2.42996850492683 11839053 C1CC[C@@H]([C@@H](C1)C(=O)NNC(=O)COC2=CC=CC3=CC=CC=C32)C(=O)O 1 2.262 2 5 0 -9.19155874704975 11839049 CC1=CC(=C(C=C1)OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)Br 1 2.588 2 5 0 -8.90384840053043 11839048 C1CC[C@@H]([C@@H](C1)C(=O)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)C(=O)O 1 2.183 3 5 0 -10.2586852124245 11839043 CC(C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)OC2=C(C=C(C=C2)Cl)Cl 1 3.166 2 5 0 -7.3805942102475 11839038 COC1=CC=C(C=C1)CC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O 1 1.536 2 5 0 -8.91267118236545 11839037 C1CC[C@@H]([C@@H](C1)C(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2)C(=O)O 1 2.262 2 5 0 -6.71960476024809 11838982 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)C3=CC=C(C=C3)OC)O[C@@H]1O)O 1 -0.38 1 7 0 -7.3665908186396 11838962 CC1=CC=C(C=C1)C(C)NC(=O)C2=CC=CS2 1 3.438 1 1 -8.05543249515619 11838961 CC(C1=CC=C(C=C1)Cl)NC(=O)C2=CC=CS2 1 3.616 1 1 -6.23343380456937 11838959 CC(C1=CC=C(C=C1)Br)NC(=O)C2=CC=NC=C2 1 2.596 2 1 -7.85029528624976 11838957 CC(C1=CC=C(C=C1)Br)NC(=O)C2=CC(=CC=C2)OC 1 3.731 1 2 -7.99637560900515 11838941 CSCCC(C(=O)O)NC(=O)/C(=C/C1=CC=CO1)/NC(=O)C2=CC=CO2 1 1.078 2 6 0 -26.0051385493852 11838811 COC1=CC=C(C=C1)C(CC2=NC=CN2C=C)O 1 1.44 2 2 0 -0.961585907069912 11838796 CCN1CCCC(C1)OC(=O)C2(C3=CC=CC=C3C=CC4=CC=CC=C42)O 1 3.747 1 3 3.85569490385393 11838428 CC1=CC(=C2[C@@H]3[C@@H](CCO3)[C@H](NC2=C1)C4=CC=CS4)C 1 3.82 1 1 -6.03822135023037 11838420 CCC1(CC2=C(CO1)SC3=C2C(=O)N(N=N3)CC(=O)NC4=CC=CC5=CC=CC=C54)C 1 4.226 4 3 0 -25.18959222918 11838419 CCC1(CC2=C(CO1)SC3=C2C(=O)N(N=N3)CC(=O)NC4=CC=C(C=C4)C)C 1 3.804 4 3 0 -24.2132444740737 11838418 CCC1(CC2=C(CO1)SC3=C2C(=O)N(N=N3)CC(=O)NC4=CC=C(C=C4)Cl)C 1 3.982 4 3 0 -22.3912457834869 11838410 C1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3Br 1 3.76 3 4 0 -18.6345689117278 11838394 CCC1=CC=C(C=C1)C(C)NC(=O)/C(=C\C2=C(NN=C2)C3=CC=CC=C3)/C#N 1 4.502 4 1 -11.7869011848776 11838389 CC1=CC=C(C=C1)C(C)NC(=O)/C(=C\C2=C(NC3=CC=CC=C32)C)/C#N 1 4.231 3 1 -11.4221630801649 11838365 CC/C(=C\1/C=CC=CC1=O)/NNC(=O)C2=CC3=C(C=C2)OCO3 1 1.812 2 4 0 -8.83388131204682 11838364 C1CC1C(=O)NN/C=C\2/C=CC(=O)C(=C2)O 1 -0.438 2 3 0 -5.14519390830427 11838363 CC1=CC(=CS1)C(=O)NN/C=C/2\C=NN=C2C3=CC=CC=C3 1 1.686 4 1 0 -5.94526490862464 11838210 CC1=CC2=C(C=C1)OC=C(C2=O)/C=C(/C#N)\C(=O)OC(C)COC 1 2.243 1 5 -7.86245575854448 11838137 C[C@@]12C(C(C3=C(O1)C=CC(=C3)OC)NC(=S)N2)C(=O)NC4=CC=CC=C4 1 2.808 3 3 -4.84024249212156 11838160 COC1=C/C(=C/NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-])/C=C(C1=O)Br 1 0.748 5 6 0 -5.46926557392681 11838155 COC1=C/C(=C/NNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)/C=CC1=O 1 1.954 2 4 0 -4.30363650884056 11838104 CC1=CC2=C(C(=O)N=C2C=C1)NNC(=O)/C(=C/C(=C/C3=CC=CC=C3)/C)/NC(=O)C4=CC=CC=C4 1 3.433 4 3 0 -14.0685549834968 11838069 C1=CSC(=C1)C(=O)NN/C=C/2\C=NN=C2C3=CC=C(C=C3)Cl 1 2.496 4 1 -3.6075090194809 11838067 C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)N5C(=O)/C(=C/N)/C(=O)NC5=O 1 2.111 3 3 2.72711216018464 11837968 C1OC2=C(O1)C=C(C=C2)C(=O)NN3C(NC4=C(C3=O)C=C(C=C4)Br)C5=C(C=CC6=CC=CC=C65)O 1 4.67 3 5 0 -4.64387166520477 11837959 CN1C=CC(=N1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 1.478 3 3 0 -11.3208519707935 11837938 CC1=NN(C(=O)C1C(C2=CC(=CC=C2)O)C3=C(NN(C3=O)C4=CC=C(C=C4)F)C)C5=CC=C(C=C5)F 1 3.669 4 3 0 -1.04979386608053 11837846 C[C@@H]1C(C(=O)C2=CC=CC=C2O1)C(=O)C3=CC=CC=C3 1 3.245 0 3 -2.55706331779176 11837824 CCCOC(=O)C1C2C=CC(C1C(=O)OCC(=O)C3=CC=CC=C3)C4C2C4 1 3.049 0 5 -10.6628309992562 11837823 COC1=CC=C(C=C1)C(=O)COC(=O)C2C3C=CC(C2C(=O)OC)C4C3C4 1 2.16 0 6 -10.1314967627393 11837806 COC1=CC=CC(=C1)C(=O)COC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC4=CC=CC=C4OC 1 3.74 1 7 0 -13.3291573581088 11837805 COC1=CC=CC=C1OC2=CC=C(C=C2)N3CC(CC3=O)C(=O)OCC(=O)C4=CC=CC=C4 1 3.756 1 6 0 -13.2975682373669 11837804 COC1=CC=CC=C1OC2=CC=C(C=C2)N3CC(CC3=O)C(=O)OCC(=O)C4=CC=C(C=C4)F 1 3.962 1 6 0 -11.6216306473799 11837799 CC1=C(C=C(C=C1)C(=O)COC(=O)C2CC(=O)N(C2)C3=NC(=CS3)C4=CC=CC=C4)C 1 4.129 2 4 -8.41458960513175 11837798 C1C(CN(C1=O)C2=NC(=CS2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4 1 3.156 2 4 -9.56438555143293 11837796 CC1=CC=C(C=C1)C(=O)COC(=O)C2CC(=O)N(C2)C3=NC(=CS3)C4=CC=CC=C4 1 3.643 2 4 -8.47570652187533 11837760 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br 1 2.968 1 4 -15.1607377781107 11837731 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N3C(=O)C4CC=CCC4C3=O 1 2.266 2 6 0 -13.8915843838609 11837673 CCOC1=C/C(=C/NNC(=O)C2=CC=CS2)/C=C(C1=O)[N+](=O)[O-] 1 0.739 3 5 0 -7.12656706295758 11837609 CC(=O)OC1CC[C@@]2(C3CC[C@]4(C(C3C(=O)C=C2C1)CCC4OC(=O)C)C)C 1 3.205 0 5 -23.1320826570236 11837555 CC1=CC(=C(C=C1)COC2=CC=C(C=C2)N3C(=O)N(C(=N3)C)C(F)F)OC(C)C(=O)OC 1 4.248 3 5 0 -12.8762941086138 11837543 CC(C(=O)OC)OC1=CC(=C(C=C1)Cl)CN2C(=O)C(CO2)(C)C 1 2.661 1 5 -8.42428847232746 11837536 CC1CC2=C(O1)C=CC3=C2OC(=C(C3=O)OC)C 1 2.025 0 4 -2.05429269058894 11837531 CC1CC2=C3C(=C(C=C2O1)OC)C(=O)C(=C(O3)C)OC 1 2.009 0 5 -3.62180224976322 11837478 C1=CC=C2C(=C1)N=C(O2)/N=C(\N)/NC(=O)C3=CC=C(C=C3)Cl 1 2.534 4 2 0.402329467437315 11837264 C1C(OC(=O)N1CC2=CC=C(C=C2)[N+](=O)[O-])CCl 1 2.213 2 4 -4.55813150777918 11837232 CC1=CC=C(C=C1)NC(=O)C2C3=CC=CC=C3N(C2=O)C 1 2.272 2 2 -1.71523620301021 11837231 CN1C2=CC=CC=C2C(C1=O)C(=O)NC3=CC=CC=C3F 1 1.991 2 2 0 -2.50057550360101 11837209 C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CN=CC=C3 1 1.047 3 2 0 -10.9474209613789 11837143 COC(=O)C1=C(C=CS1)NC(=O)NC2=CC=C(C=C2)F 1 2.537 2 3 -7.28387105569615 11837070 COC1=CC=C(C=C1)N2C(C(=CC(=N2)C(=O)C3=CC=CS3)C(=O)OC)C(=O)OC 1 3.473 2 6 0 -10.6026290374235 11837035 CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)N(C3=CC=CC=C3)S(=O)(=O)C 1 4.186 2 3 -9.04732710448185 11837013 CCN1C(=CC(=C1C)/C=C/2\C(=O)N(C(=O)S2)C(C)C(=O)OC)C 1 2.278 2 4 -10.3893504318629 11837008 CC1=CC(=C(N1C(C)C)C)/C=C/2\C(=O)N(C(=O)S2)C(C)C(=O)OC 1 2.656 2 4 -9.5434786257781 11837006 CC1=CC(=C(N1CCOC)C)/C=C/2\C(=O)N(C(=O)S2)C(C)C(=O)OC 1 1.799 2 5 0 -16.108367762863 11836886 CN(C)C1=C2C3=C(C(=NC=N3)NCC(CO)O)SC2=NC=C1 1 0.577 5 2 0 -7.85919972196501 11836819 CC1=CC=C(C=C1)N/C(=C\C#N)/C 1 2.517 2 0 -3.11268216062507 11836791 C[C@@H]1C2CCC(C3C24C(OC1=O)O[C@](CC3)(OO4)C)C 1 1.998 0 5 0 -5.40209681966349 11836775 C1=CC=C2C=C(C(=CC2=C1)C(=O)NN/C=C\3/C=CC=N3)O 1 1.043 3 2 0 9.24289581277574e-002 11836764 CCC(C)(C(=O)O)NC(=O)C1=CC=CC=C1 1 1.839 1 3 0 -8.96777149554252 11836756 COC(=O)[C@H]1[C@@H]([C@@H](O[C@H]1C2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3 1 2.863 0 5 -5.36689663719651 11836673 CC(C1=CC=CC=C1)NC(=O)C2CC23CCC3 1 2.635 1 1 -2.87206952063422 11836535 CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)/C=C\C(=O)O)C 1 2.06 2 5 0 -4.06508405899932 11836391 CC(C)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=CC=CC=C4O3 1 4.329 2 3 2.63997135681342 11836370 COC1=CC=CC=C1C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O 1 3.12 4 5 0 -12.3290819847769 11836343 CC1=NN(C(=O)C1C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.168 2 2 6.75596459673077 11836305 CC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NN=C3CCCCCC3 1 2.892 4 3 0 -16.7157196417644 11836274 CC(C)(C)C1(CC(=NN1C(=O)C2=CC(=CC=C2)Cl)C(=O)OC)O 1 2.9 2 4 -1.61855076625129 11836247 CC(=O)NC1=CC=C(C=C1)C(=O)N(C)C(C2=CC=CC=N2)C(=O)NC3=CC=CC=C3 1 1.997 4 3 0 -12.1365804795211 11836240 CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=N2)N(C)C(=O)C3=CC=C(C=C3)NC(=O)C 1 2.483 4 3 0 -11.6491332441237 11836235 CC(C1=CC=C(C=C1)C(C)(C)C)S(=O)CC(CO)O 1 1.994 0 3 0 3.67187558089562 11836234 CC(C)(C)C1=CC=C(C=C1)CS(=O)CC(CO)O 1 1.617 0 3 0 4.93595001326605 11836208 CC(=O)NC1=C(NC2=C(C1=O)C(=O)N(C(=O)N2C)C)NC(=O)CC#N 1 -2.177 6 5 0 -19.8881909238385 11836085 CC(=O)C1=CC2=C(C=C1N/C=C\C3=NN=NN3C4=CC=C(C=C4)Br)OCO2 1 2.707 5 3 0 -9.03672875630609 11835983 C1=CC=C2C(=C1)C=CC=C2NC(=O)CSCC(=O)OCC(=O)C3=CC=C(C=C3)Br 1 4.051 1 4 -15.7241715431701 11835944 CC1(CC2=C(C(C(=C(O2)N)[N+](=O)[O-])C3=CC=CS3)C(=O)C1)C 1 1.956 2 4 0 -16.9977699086797 11835888 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C(=C(C=C3)OC)OC)[N+](=O)[O-])C(=O)C1)C 1 2.172 3 6 0 -17.4854741187624 11835772 CN1C=CN=C1SCC(=O)NC2=NC=C(C=C2)[N+](=O)[O-] 1 0.925 5 3 0 -12.3685786293685 11835537 C1CCC(=O)C(C1)C(C2=CC=CC=C2)NC3=CC=C(C=C3)Br 1 5.043 1 1 -5.85873460868444 11835476 CC(COC)NC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=CS3 1 4.645 3 2 -8.85843466950715 11835470 COCCCNC(CC(=O)NCCCOC)C(=O)O 1 -4.133 2 5 0 -16.9346162680603 11835464 CC(C1=CC=CC=C1)NC2=C(N=C(O2)C3=CC=CO3)C#N 1 3.249 3 2 -3.44187742042408 11835463 CC1CC(CN(C1)C2=C(N=C(O2)CC3=CC=CC=C3)C#N)C 1 3.837 3 1 -9.88900777925782 11835442 CC1(CC(CC(N1CC(COCCOC2=CC=C(C=C2)Br)O)(C)C)O)C 1 2.656 1 4 -2.48790042931237 11835427 CC(C)CC(C)NCC1=CC=C(C=C1)C(F)(F)F 1 4.268 1 0 3.55234401631063 11835426 CC(C)C(C)NCC1=CC=C(C=C1)C(F)(F)F 1 3.879 1 0 4.90748898285224 11835310 CCCN(CCC)CC(CN1C=C(C2=CC=CC=C21)/C=C/C(=O)C3=CC=CC=C3)O 1 5.574 2 2 2.50744964852432 11835308 C1CCCN(CC1)CC(CN2C=C(C3=CC=CC=C32)/C=C/C(=O)C4=CC=CS4)O 1 5.156 2 2 -0.837526884027206 11835306 CCCCN(C)CC(CN1C=C(C2=CC=CC=C21)/C=C/C(=O)C3=CC=CS3)O 1 5.111 2 2 0.795202533444826 11835305 CCCN(CCC)CC(CN1C=C(C2=CC=CC=C21)/C=C/C(=O)C3=CC=CS3)O 1 5.527 2 2 -1.23474563777451 11835257 CCOC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2CCC=CC2 1 2.093 2 4 -9.84406625987797 11835249 COC1=C(C=C2C(C3=CC(=C(C=C3C(=O)CC2=C1)OC)OC)CC(=O)OC)OC 1 3.003 0 7 0 -13.5020426424151 11835246 CC\1C2CC(C2(C)C)C(=O)/C1=C/C3=CC=C(C=C3)Cl 1 4.486 0 1 2.21692197320464 11835245 CC1=NN(C(=N1)C)C(C(=O)C(C)(C)C)OC2=C(C=C(C=C2)Cl)Cl 1 4.52 3 2 0.784350386968191 11835240 CC1(C(CCC1(C)C(=O)O)C(=O)NNC(=O)C2=CC=CC=C2Cl)C 1 2.601 2 4 -7.71961887468783 11835237 COC1=CC=CC=C1N2C(CC(=N2)C3=CC=CS3)C4=CC=CC=C4 1 5.118 2 1 -1.07830107599317 11835188 CC1=CC(=CC(=C1O)C)C(C(=O)OC)(C(F)(F)F)NC2=CC=CC=C2Cl 1 5.429 1 3 -1.50932616424372 11835122 C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)O 1 4.55 2 4 -15.650035349377 11835119 CC1(N=C([C@H]2N1C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C 1 3.215 3 2 2.42459028822101 11834987 CC1=CC(=C(C(=C1)C)C2=NOC3C2C4CCC3C4)C 1 4.26 1 1 -4.937375913709 11834970 COC1=CC=C(C=C1)N2[C@@H]([C@H]([C@@H]([C@H]2C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC 1 1.212 1 9 0 -3.32215516363909 11834943 C1CN=C(N1)C2C3=CC=CC=C3CSC4=CC=CC=C24 1 2.942 2 0 -8.1235189426511 11834742 CC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)C)/N=C(\N)/N[N+](=O)[O-] 1 4.945 6 2 0 -1.26915518595504 11834736 C[C@@]12CC([C@@H](C(C1)(C)C)C3(C2)C[C@@H](CC(C3)(C)C)O)O 1 3.04 0 2 -1.32131375837051 11834728 CCOC12CC(CC(C1)(CC3=C2C(=O)CC(C3)(C)C)C)(C)C 1 4.111 0 2 -10.2397397348114 11834664 CC1=C[C@@H]([C@@H]2C[C@H]1C2(C)C)C3=C(C=C(C=C3OC)OC)OC 1 4.107 0 3 -0.284280946585213 11834652 C[C@@]1(CC2=C(C[C@@H]1C(=O)O)C=NO2)C(=O)O 1 0.453 1 5 0 -3.64578172000805 11834651 C[C@@]1(CC2=C(C[C@@H]1C(=O)OC)C=NO2)C(=O)O 1 0.679 1 5 0 -3.99924372278188 11834649 [2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(SC(=N2)N3CCCCCC3)C(=O)C4=CC=CC=C4)[2H])[2H] 1 5.385 2 1 -0.761412222437977 11834648 [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C2=C(N=C(S2)N3CCCCCC3)C4=CC=CC=C4)[2H])[2H] 1 5.385 2 1 2.44916513563426 11834625 CC1(C2CCC1(C3(C2)NC(=O)C4=CC=CC=C4O3)C)C 1 3.064 1 2 -1.3570091647636 11834595 CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]2C(=O)O 1 0.931 1 4 0 -10.5037704644302 11834580 C1COC2(O1)C3C4C5C4C2(C6C3C56NC(=O)NC78C9C1C9C2(C7C8C1C21OCCO1)Br)Br 1 -1.128 2 5 0 -4.61279729157998 11834578 C1COC2(O1)C3C4C5C4C2(C6C3C56CS(=O)(=O)C7=CC=CC=C7)Br 1 1.298 0 4 0 -6.21056301065175 11834571 C1COC2(O1)C3C4C5C2(C6C5C4(C63)NC(=O)NC78C9C1C7C2C8C9C1(C21OCCO1)Br)Br 1 -1.004 2 5 0 -4.52660168124078 11834550 C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(/C(=C/[N+]#N)/[O-])O)Cl 1 2.272 2 2 -1.47288846381366 11834531 CN1C\2CCC1/C(=C/C3=CC=CC=C3Cl)/C(=O)/C2=C/C4=CC=CC=C4Cl 1 5.754 1 1 3.71870163925695 11834482 CCN(CC)CCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2.Cl Cl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l)S(=O)(=O)N(C)C2=CC=CC=C2.Cl Cl- 1 2.597 3 3 -14.0094291449435 11834464 C1CCC(CC1)NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3F 1 3.611 2 5 0 -19.562477274809 11834463 C\1CC(=C(/C1=C\C2=CC=CC=C2)N3CCOCC3)C=NNC4=C5C=C(C=CC5=NC4=O)Br 1 3.188 4 2 -4.29091725539443 11834462 CC1=CC(=C(C(=C1)C)C(=O)COC(=O)[C@H](C)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C 1 5.381 2 5 0 -8.39344113086912 11834461 CC1=C(C=C(C=C1)Cl)NC2=C/C(=N\S(=O)(=O)C3=CC=CS3)/C4=CC=CC=C4C2=O 1 5.196 2 3 0.732772467487584 11834460 CN(CC1=NC2=CC=CC=C2N1)CC(=O)O.Cl Cl- 1 -1.941 3 2 0 -2.79782208546552 11834455 CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C(=O)O)C.Cl Cl- 1 1.68 3 2 0 -4.64219307657908 11834450 CCN=C1N(CC2=C(S1)N=C3C=CC(=CC3=C2)OCC)CCOC.Cl Cl- 1 3.647 3 2 -4.73771400528123 11834446 C[C@@H](C(=O)OC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)C3=CC=CC=C3Cl 1 5.855 2 4 -17.7416727569892 11834445 COC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=N2)NCCO.Cl Cl- 1 2.141 4 2 4.52280913593893 11834444 C1=CC=C2C(=C1)/C(=C/3\NN=C(O3)SCC4=CC(=CC=C4)Cl)/C=N2 1 4.804 3 1 -5.60664487531801 11834443 CC1=CC=CC=C1OCC(=O)NN2CC3=CC=CC=C3C2=N.Br Br- 1 2.207 3 2 -6.02357136879307 11834442 CC1=CC=C(C=C1)N2C(=CC(=C2C)/C(=C(/C(=S)NC3=CC(=C(C=C3)F)Cl)\[N+]4=CC=CC=C4)/[O-])C 1 6.621 3 1 -1.82973480597796 11834441 CCC1=CC=[N+](C=C1)/C(=C(\C2=CC3=C(C=C2)OCCO3)/[O-])/C(=S)NC4=CC=CC=C4OCC 1 5.159 2 4 -8.73647032314352 11834440 CC(C)(C)C1=CC=C(C=C1)/C(=C(/C(=S)NCC2=CC=CO2)\[N+]3=CC=CC=C3)/[O-] 1 4.409 2 2 -2.66629812766866 11834437 CC1=CC=C(C=C1)/C(=C(/C(=S)NCC2=CC=CO2)\[N+]3=CC=CC=C3)/[O-] 1 3.495 2 2 -5.24443227677996 11834436 COC1=CC=CC=C1OCC(=O)NN2CC3=CC=CC=C3C2=N.Br Br- 1 1.704 3 3 0 -9.98403392165389 11834435 CC1=CC(=C(N1C2=CC=CC=C2)C)/C(=C(/C(=S)NC3=CC=CC=C3)\[N+]4=CC=CC=C4)/[O-] 1 5.265 3 1 -4.73825400144267 11834434 CCC1=C/C(=C(\CC2=CSC=N2)/NO)/C(=O)C=C1O 1 1.012 2 3 0 -2.57264287731884 11834433 CCOC1=CC=CC=C1OCC(=O)NN2CC3=CC=CC=C3C2=N.Br Br- 1 2.053 3 3 -9.62487469747718 11834432 CC1=CC(=NC2=CC=CC=C12)NCCN.[N+](=O)(O)[O-] NO3 1 1.548 3 0 0 5.08786706200551 11834430 CC(C)(CNC(=O)C1=CC(=O)C2=CC=CC=C2O1)CN(C)C.Cl Cl- 1 1.879 2 3 0 -8.30733844434167 11834429 C1CN(CCC1NC(=O)COC2=CC=CC=C2F)CC3=CC=CC=C3.Cl Cl- 1 2.773 2 2 -3.51494060556972 11834427 CC1(CC(=O)/C(=C\NC2=CC=C(C=C2)N)/C(=O)C1C(=O)OC)C 1 1.108 2 4 0 -6.97102280828851 11834426 COCCN1C(=CSC1=NC2=CN=CC=C2)C3=CC=CO3.Cl Cl- 1 1.701 3 2 0 -0.55330301810563 11834425 COC1=CC=C(C=C1)/C(=C/SC2=NN=C(O2)CC3=CC=CC=C3)/O.Br Br- 1 3.211 2 3 -9.75358794640274 11834424 CCOC(=O)C1=C(NC(=C1C)C(=O)C(CC2=CC=CC=C2)N(C)C)C.Cl Cl- 1 3.837 2 3 -3.87180808808012 11834423 CC(C)(C)NCC(COC1=C(C=C(C=C1F)Br)F)O.Cl Cl- 1 2.996 1 2 -3.06358724449256 11834421 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)Cl.Cl Cl- 1 2.081 3 4 0 -22.7612035786764 11834419 CC(C)(C)C1=CC=[N+](C=C1)/C(=C(\C2=CC=C(S2)Cl)/[O-])/C(=S)NC3CC3 1 4.546 2 1 0.395728382907872 11834418 C1CC(=NC1)NC2=CC(=CC=C2)Cl.Cl Cl- 1 2.13 2 0 -8.95466146239026e-002 11834417 C1=CC2=C(C=C1C(=O)O)NC(=N2)CO.Cl Cl- 1 0.564 2 3 0 -2.78699479022461 11834416 CC1=C(C=C(C=C1)N/N=C\2/C=CC(=O)C(=C2)C=NNC(=O)C3=CC=C(C=C3)N)C 1 3.479 5 2 0 -6.84367502093891 11834415 CC(=NNC1=CC=C(C=C1)Cl)C2=CC=CC=N2.Cl Cl- 1 3.371 3 0 2.95715860355842 11834414 C\1CC(=C(/C1=C\C2=CC=CC=C2)N3CCOCC3)C=NNC4=C5C=CC=CC5=NC4=O 1 2.735 4 2 -5.58233905271804 11834413 C[C@@H](C(=O)NC1=NC(=CS1)C2=CC=CC=N2)N3C(=O)C4CCCCC4C3=O 1 2.222 4 3 0 -4.7570595282132 11834411 CCN(CC)CCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=CC=CC=C2OC.Cl Cl- 1 3.072 3 4 0 -15.1903388955029 11834410 C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CO5.Cl Cl- 1 3.632 5 1 6.86894369370541 11834408 COC1=CC=C(C=C1)OCC(=O)NN2CC3=CC=CC=C3C2=N.Br Br- 1 1.704 3 3 0 -6.49025841166816 11834407 CSC1=C(C=CC=N1)C(=O)OCC2=CC=C(C=C2)C#N.Cl Cl- 1 3.078 2 2 -11.6212356114018 11834406 CC1=NC2=C(C=C(C=C2)O)C(=C1)NCCO.Cl Cl- 1 1.326 2 2 0 6.33989573274039 11834405 C1=CC=C(C=C1)CCN(CCC2=CC=CC=C2)C(=O)CN3C=CSC3=N.Cl Cl- 1 3.132 3 1 -13.7688790746503 11834404 COC1=CC=C(C=C1)C2/C(=C/3\NC4=CC=CC=C4S3)/C(=NC(=O)N2)C5=CC=CC=C5 1 5.363 3 2 -9.2819977628944 11834403 C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CO4 1 4.436 2 5 0 -16.6183617209861 11834402 C1COCCN1CCCNC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4.Cl Cl- 1 3.053 4 2 -3.89083166027197 11834401 C1C2=NN/C(=C/3\C=C4C=CC=CC4=CC3=O)/N2C5=CC=CC=C5S1 1 2.585 3 1 -8.34535255353567 11834400 CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)N.Cl Cl- 1 2.234 3 0 -1.01609812189657 11834399 CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC(=C(C=C3)OC)OC.Br Br- 1 2.731 3 3 -8.36475043768692 11834398 CN(C)C(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3.Cl Cl- 1 5.134 1 1 3.82596165993144 11834397 CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NNC3=NCCCCC3.Br Br- 1 4.108 4 0 3.74344924661015 11834395 C1=CSC(=C1)C(=O)SCC(C(CS)O)O 1 1.607 0 3 0 -5.3048671873664 11834392 COC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=CS3)NC(=O)C4=CC=CS4 1 4.402 3 6 0 -15.3667409085515 11834391 CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=O)N2)NC(=O)C3=CC=CS3 1 1.856 3 4 0 -13.3519832914223 11834389 CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=N2)OC(=O)C3=CC=CS3 1 4.042 2 4 -9.13312758081127 11834388 CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=O)N2 1 0.437 2 3 0 -10.0809860791054 11834387 COC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OCC3=CC=CS3)N 1 2.839 3 4 0 -6.95143708632567 11834386 COC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=NC=C3)N 1 1.813 4 5 0 -9.75012978640039 11834385 COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3C(=CC(=N3)OC(=O)C4=CC=CS4)N 1 4.435 3 5 0 -7.41331544960003 11834384 CC(=O)N(C1=CC(=NN1S(=O)(=O)C2=CC=C(C=C2)OC)OC(=O)C)C(=O)C 1 1.156 3 7 0 -8.22282279080543 11834383 CC(=O)OC1=NN(C(=C1)N)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.299 3 5 0 -7.01662621143877 11834380 COC1=CC=C(C=C1)NC(=O)N2C(=CC(=N2)OC(=O)C3=CC=CS3)N 1 3.122 4 4 0 -6.88963969432729 11834379 CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=O)N2)N 1 0.217 3 3 0 -8.69144551215441 11831774 C=CC[N+]1(CCOCC1)CC=C.[Br-] Br- 1 -0.114 1 1 0 -6.30711342946051 11831446 C1CCC2(C1)CC(=O)C3=C(O2)C=CC(=C3)Cl 1 3.41 0 2 -1.80965866478754 11823498 COC(=O)/C(=C/1\C=CC=CN1)/C(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.719 1 3 -1.23788258308751 11795481 CC1=NC(=O)C(=C(N1)NC2=C(C=C(C=C2)Br)Br)[N+](=O)[O-] 1 2.558 4 3 0 -4.21934090717595 10571607 C1CC2C(=O)N(C(=O)N2C1)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.342 4 2 3.63299502833177 10571215 CC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CCCCN4C3=O 1 2.62 4 2 -0.465409366929862 10565655 CCOC(=O)CN(CC1=CC=CC=C1)C(=O)OC(C)(C)C 1 2.793 1 4 -12.1111687764975 10560717 CC1=C(NC2=CC=CC=C12)CCOC(=O)C 1 2.71 1 2 4.65516229998989 10560368 C[C@@H]1CC2=C(C(=CC(=C2O)O)O)C(=O)O1 1 1.411 0 5 0 0.418147706155625 10546192 C1CC2C(=O)N(C(=O)N2C1)CCCCN3CCN(CC3)C4=CC=CC=C4 1 2.258 4 2 1.23396355637152 10544541 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NCCN3CCOCC3 1 0.878 2 5 0 -15.783185626125 10540924 CC1=C(N=CC=C1)NC(=O)CN2C3=CC=CC=C3OC2=O 1 2.057 3 3 -4.03616243969909 10525922 C1CCN2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.609 5 4 0 -1.29494659800415 10523324 CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCC4=CC=CC=C4 1 3.597 6 0 -5.44344254267051 10497464 CC1=NC(=C(N1CC(=O)C2=CC=C(C=C2)F)Br)[N+](=O)[O-] 1 2.646 3 3 -3.14703125853947 10494025 CC(C)CN1C2=CC=CC=C2C(=O)C(=C1[O-])[N+]3=CC=CC=C3 1 3.38 2 2 -4.86779542864542 10483388 COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]([C@@H](CC3=CC(=C(C(=C23)OC)O)OC)CO)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O 1 0.517 0 13 0 -12.8022266332723 10467247 CCN(CC)C1=CC(=O)/C(=C/NN=C(N)N)/C=C1 1 -0.345 5 1 0 -3.50932907856071 10450920 CC(=CCC1=C(C=C(C(=C1O)C(=O)CCC2=CC=C(C=C2)O)OC)O)C 1 4.839 0 5 -0.335530319685094 11647992 C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CCCC(=O)C3=CC=C(C=C3)F.Cl Cl- 1 4.165 1 2 6.61298798288315 11646585 CCC1=CN(C=C1C(=O)CC)/C(=C\C(=O)OC(C)(C)C)/CCC(OC)OC 1 3.752 1 5 -12.1987521214028 11646094 CC1=CC2=C(C=C1NC(=O)C(F)(F)F)N=C3C(=N2)C(=O)NC(=S)N3 1 2.59 5 2 0 -10.4116014953573 11644907 C1=CC(C=CC1=O)(C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O 1 1.044 0 6 0 5.38297959038515 11639023 C1C(ON=C1C2=CC=CC=C2)C3(CC(C3)O)S(=O)(=O)C4=CC=CC=C4 1 2.131 1 4 -3.36067835751377 11637235 C1=CC=C(C=C1)C2=CN=NC(=N2)C3=CC=CC=N3 1 2.428 4 0 7.47293665084377 11625520 C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4F 1 5.012 4 3 0 -5.36803565837124 11618315 COC(=O)C1=CC2=C(C=C1)NC3=CC=CC(=C32)/C(=C/C4=CC=CC=C4)/C5=CC=CC=C5 1 6.643 1 2 -1.01182408460167 11603245 COC1=CC2=C(C3=CC=CC=C3O2)C(=C1)/C(=C/C4=CC=CC=C4)/C5=CC=CC=C5 1 6.781 0 2 -2.51321357217817 11596309 CC(=CCC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(O2)C(=C(C=C3)O)CC=C(C)C)O)C 1 6.329 0 4 0.664491923706323 11595431 C1=CC=C(C=C1)OC2=CC=CC(=C2)CNC3=CC=C(C=C3)CCC(=O)O 1 4.903 1 3 -4.68285216201545 11586368 C1=CC(=CC(=C1)O)CNN.Cl Cl- 1 0.356 2 1 0 2.65561995491225 11582708 CCCCN1CC(=O)N2[C@@H]([C@H]3[C@@H]([C@@]2(C1=O)C)C(=O)N(C3=O)CC)C4=CC=C(C=C4)OC 1 1.124 3 5 0 -4.76095523717346 11572011 C1CNCC2=C1NC3=CC=CC=C23.Cl Cl- 1 1.74 2 0 0 -1.90427465784354 11568649 C1CCC2=[N+](C=C(N2CC1)C3=CC=CC=C3)CC4=C(C=C(C=C4)Cl)Cl.[Br-] Br- 1 6.647 2 0 5.98814906786492 11568371 C1C[C@H]([C@H](NC1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.Cl Cl- 1 5.223 1 1 0.693520658079776 11567115 CCC1=CN(C=C1C(=O)CC)[C@H](CCC(OC)OC)CC(=O)OC(C)(C)C 1 3.715 1 5 -13.8834724776602 11564745 C1C(CC1=O)C2=CC(=NO2)C3=CC=CC=C3 1 2.167 1 2 -0.742090453477836 11559425 CC1=NOC(=C1S(=O)(=O)N(C)CC2=CC=C(C=C2)F)/C=C/N(C)C 1 1.772 3 3 0 -1.51882771449306 11574130 C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4 1 4.791 4 1 -4.95235413908946 11553369 CC(C)[N+]1([C@@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-] Br- 1 1.092 1 3 0 -8.41162230278354 11543031 C1CC2=C(C=CC(=N2)C3=CC=CC=C3)OC1 1 3.147 1 1 1.96413537245237 11538542 CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CC#C)C 1 3.843 2 6 0 -20.8783337402791 11537321 CC1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 4.511 0 3 6.21751179133031 11521711 C1CN(CCN1)C2=NSC3=CC=CC=C32.Cl Cl- 1 1.544 3 0 0 -1.05818470318852 11506708 CC1(CCCCC1)COS(=O)(=O)N 1 1.267 1 3 0 -5.05332772266374 11499650 CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C2=O 1 2.704 0 3 -4.86894824719934 11497466 CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)N5CCN(CC5)C.Cl Cl- 1 4.373 5 3 0 4.13870787653477 11490752 CC1CC2C(CC(C3C(O2)CC4C(O3)(CCC5C(O4)CCC(C(O5)CC/C=C\C=C)(C)O)C)O)(OC1CC/C=C(\C)/C(=C/C=O)/C)C 1 5.056 0 8 0 -4.22076708211279 11481653 CC1=C(C(=O)N(C1OC)CC2=CC=CC=C2)C 1 2.492 1 2 -2.83667944570611 11462223 C1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)Br 1 4.022 3 1 -6.66477169225915 11460648 C1=CC=C(C=C1)CONC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.796 1 2 3.24611319037488 11460348 COC1=CC=C(C=C1)C2CC(=O)OC3=CC(=CC(=C23)O)O 1 2.706 0 5 1.41953193530116 11458340 COC1=CC=CC(=C1)C2=CC(=O)CCC2 1 2.753 0 2 -0.879880653473748 11472669 CC1=CC(=C(C=C1)C2(CO2)COC(=O)C(C)C)OC(=O)C(C)C 1 3.689 0 5 -7.14789952153949 11451524 COC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC=CS3 1 3.387 2 3 -2.18303303309375 11447214 CCCCCCC(C(=C)C(=O)O)C(=O)O 1 2.861 0 4 -7.27076336923589 11445389 CN1[C@H](C(=O)N2[C@H](C1=O)C[C@@]3([C@H]2NC4=CC=CC=C43)[C@@]56C[C@H]7C(=O)N([C@H](C(=O)N7[C@@H]5NC8=CC=CC=C68)CC9=CC=CC=C9)C)CC1=CC=CC=C1 1 3.956 6 4 0 -5.10377149356954 11417991 C1CN(CCC1OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CCCl.Cl Cl- 1 3.99 1 2 -8.06396941584676 11416197 CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)NC(=O)OC(C)(C)C 1 1.844 2 5 0 -20.2060749973771 11415993 CC1=CC=CC=[N+]1CC(=O)C2=CC=C(C=C2)OC.[Br-] Br- 1 2.819 1 2 -3.40887816817546 11414033 CC1=NN(C(=O)C1C2=CC=CC=C2)C3=CC=CC=C3 1 2.617 2 1 -2.55868417705449 11410169 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O 1 0.364 0 10 0 -10.670391536112 11405589 C1=CC2=C(/C(=C\3/C4=C(C=C(C=C4)Br)NC3=O)/N=C2C=C1)NO 1 1.571 3 2 0 -6.68796611909492 11405500 COC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC(=C2)N3C=NN=N3 1 1.192 5 4 0 -19.6244175638768 11403114 C[C@@]12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C 1 2.35 3 2 -6.25459683819762 11413780 C1C[C@H]2C3=C(CCN2C(=O)C1)C4=CC=CC=C4N3 1 2.456 2 1 -8.58681549690507 11393636 C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)N.[I-] I- 1 2.02 2 1 -1.86771544322636 11384313 COC1=CC(=C(C=C1)OC)NC(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.868 4 5 0 -20.849702274966 11382964 CC\1=NN(C(=O)/C1=C/NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 1.177 5 4 0 -8.73332509088502 11378883 C1COS(=O)(=O)NC1C2=CC=CC=C2 1 0.503 1 3 0 -1.53792900180983 11361568 C1=CC=C(C=C1)COC(=O)/C(=C/2\C=CC=CN2)/C(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.303 1 3 -1.48770917106146 11358771 COC1=C(C=C\2C(=C1)CCN/C2=C\C(=O)C3=CC=CC=C3)OC 1 2.978 1 3 -6.42685679809978 11340548 COCOC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OCOC)O)OCOC)OCOC 1 1.938 0 11 0 -2.37128025355489 11337269 COCOC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCOC)O 1 2.564 0 7 0 1.54379462472174 11332599 C1CCOC2(C1)COC(=O)N2 1 0.541 1 3 0 -3.99566050055806 11325914 C[N+]1=CC=C(C=C1)/C=C/C2=CNC3=CC=CC=C32.[I-] I- 1 3.714 2 0 6.99822885333788 11321197 C1COCCN1C2=CC(=O)OC2 1 -0.154 1 3 0 -2.94601089444351 11315337 C1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl Cl- 1 4.153 2 1 -3.80603086322045 11314197 C1CCC(CC1)(C2=CC=CC=C2)C(=O)OCCN3CCOCC3.Cl Cl- 1 3.423 1 3 -6.66367953061365 11303234 C1COC(CN1C(=O)C2=CC=C(C=C2)F)C3=NC(=NO3)C4=CC=C(C=C4)F 1 2.645 3 3 -1.22204104681619 11296670 C[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NC2=CC=CC=C2C(=O)N1)CC3=CC=C(C=C3)O)C)CC(C)C)CC4=CC=CC=C4)C 1 3.473 5 6 0 -12.3954380233978 11313383 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=C/C(=O)C(=O)OCC=C 1 1.994 2 4 0 -12.4167146844736 11293258 CCCCCCCCCCCCCCCCN1C=CC(=C[NH+]=O)C=C1.[Br-] Br- 1 6.436 2 1 0.386806575508494 11287929 CC(C)CC1=CC=C(C=C1)C(C)C(=N)N.Cl Cl- 1 3.034 2 0 2.61150851927328 11277899 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NNC(=S)O3 1 3.328 3 2 -10.1215266584434 11256151 CC[C@@H](CCC=C(C)C)C(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2 1 6.151 1 1 -5.65880303274907 11234412 CC(C)(C)OC(=O)CNC(=O)C1=C(N=CN1)C(=O)NCC(=O)OC(C)(C)C 1 0.13 4 6 0 -16.3652396169404 11229655 C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C.Cl Cl- 1 1.907 1 0 0 3.76272209148086e-002 11229230 C[C@H]1C=CC(=O)O[C@H]1C2=CC=CC=C2 1 2.641 0 2 -1.77737146342416 11226716 CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)N4CCC5=C4C=C6C(=C5)OCC67CCN(CC7)C.Cl Cl- 1 4.699 4 3 0 -7.86941124390959e-002 11217464 C1=CC(=C(C=C1CCCO)O)O 1 1.518 0 3 0 7.43047153351845 11231375 CSC(C1=CC=CC=C1)C(=O)C2=CC3=CC=CC=C3O2 1 4.364 0 2 0.574921811663311 11231255 CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC.Cl Cl- 1 0.598 5 1 0 -6.21915504397913 11211194 CC(=CCC1=C(C=CC2=C1C(=O)C3=C(O2)C(=C(C=C3O)O)CC=C(C)C)O)C 1 5.951 0 5 1.94568932344359 11199915 CC(C)[C@@H](C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2 1 3.531 2 4 -11.6033458755587 11198061 CCSC1=NSC(=N1)NC(=O)NC2=CC=CC(=C2)C(=O)C 1 2.544 4 2 -6.00912291266084 11197601 CC(C)(C)C(=O)OCCCCCCC1=CC=C(C=C1)SC 1 5.838 0 2 -1.57826231970838 9973697 CCOC(=O)C1C2CC=CC2C3=C(N1)C=CC(=C3)OC(F)(F)F 1 4.691 1 3 6.07540747092122e-002 9964861 CCCN[C@H]1CCC2=C(C1)SC(=N2)N.Cl Cl- 1 1.383 3 0 0 -1.0300176035783 9964741 CN(C)C(=NCCC[C@@H](C(=O)O)N)N.Cl Cl- 1 -3.419 4 2 0 -9.75628567794202 9951033 C1[C@H](O[C@H](C2=C1C(=C(C=C2)O)O)CN)C34CC5CC(C3)CC(C5)C4.Cl Cl- 1 2.927 1 3 3.13655115257621 9947479 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CN3C=CC(=N)C=C3.Br Br- 1 2.714 2 1 -9.37132905072291e-003 9944781 CC12CCCC(C1CCC3=C2C=CC(=C3)C(C)(C)O)(C)C(=O)O 1 4.173 0 3 0.383645524815236 9938327 CC1=C2[C@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C 1 0.743 0 11 0 -12.2536578692901 9933683 CC(=C)[C@@H]1CCC2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)O 1 6.647 0 3 -4.49250223841249 9931141 CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl Cl- 1 4.638 2 1 0.734505775879105 9926639 C1CCN(CC1)CCOC(=O)C2=CNC3=CC=CC=C32.Cl Cl- 1 3.034 2 2 -1.448225373713 9916275 CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+] Na+ 1 -0.233 2 7 0 -10.4698680388059 9909521 C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Cl.Br Br- 1 4.448 1 2 -0.530248704741216 9909368 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3(C2)[C@@]6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O 1 -2.2e-002 0 9 0 -1.82406562185783 9906851 COC1=C(C=CC=C1O)[C@@H](C2CCN(CC2)CCC3=CC=C(C=C3)F)O 1 3.794 1 3 7.66727866947631 9905648 C[C@@]12CC[C@H]([C@@](C1CCC(=C)[C@H]2/C=C/C3=CCOC3=O)(C)CO)O 1 2.579 0 4 -1.42411077611093 9905087 C[C@@]12CCC[C@@](C1CC[C@]34C2CC[C@](C3)(C(=C)C4)O)(C)C(=O)O 1 3.694 0 3 4.30447182480471 9904319 CC1=C[N+](=CS1)CC(=O)C2=CC=CC=C2.[Br-] Br- 1 3.029 1 1 -0.614513681777912 9899402 COC1=CC=CC=C1N2CCNCC2.Cl Cl- 1 1.397 2 1 0 -2.99542456829582 9887381 CC(C)(C)NC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OC)N 1 3.789 4 2 -5.96322855733111 9885440 CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=C(C=C3)F)Cl)NCCO 1 2.337 6 1 0 0.948371558332326 9884593 CNCC[C@@H](C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl Cl- 1 4.033 1 1 3.06112239073133 9884487 CC[N+](CC)(CC)CC(=O)NC1=C(C=CC=C1C)C.[Br-] Br- 1 1.62 2 1 0 -6.76977821418873 9884029 CN(C)CC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31.Cl Cl- 1 4.466 1 0 0.333678915259213 9883104 CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C.Cl Cl- 1 4.111 2 1 -0.67382904001148 9879642 C1=C/C(=C\NNC(=O)C2=CC(=CC=C2)C(F)(F)F)/C(=O)C=C1 1 1.949 2 2 0 -2.13924512884835 9870655 CC(C)(C1=CC=C(C=C1)[C@@H](CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O 1 2.607 1 4 -1.460428750543 9865387 CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3.Cl Cl- 1 3.268 3 3 -8.91002909780598 9855951 C1=CC=C(C(=C1)N/C=C/2\C=NNC2=O)Cl 1 1.179 3 1 0 -7.22014401589157 9855833 C[C@H](CC1=CC=CC=C1)NCC#C.Cl Cl- 1 3.258 1 0 -1.29808639125698 11030308 C1=CC=C(C=C1)OS(=O)(=O)N 1 0.567 1 3 0 -3.57021894398105 11023491 C1C[C@H](N[C@@H]1CCC2=CC=CC=C2)CCC3=CC=CC=C3 1 5.024 1 0 0.930341673043798 11022725 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C3=CC=CC=C32)O 1 3.264 1 3 -3.80235351039442 11022589 CC(C)(C)C(=O)/C(=C/C1=CC=C(C=C1)Cl)/N2C=NC=N2 1 3.485 3 1 -4.57011334208392 11012459 C1CCC(=O)C(C1)C(C2=CC=CC=C2)NC3=CC=C(C=C3)Cl 1 4.959 1 1 -4.402074863583 10999860 CCOC(=O)C(CCC(=O)C)C(=O)C1=CC=CC=C1 1 2.152 0 4 -11.0492799443405 10999049 CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 2.313 2 2 -3.48549748235256 10978144 C[C@@H]1CC[C@@H](C(=O)C1C(=O)C2=CC=CC=C2)C(C)C 1 4.117 0 2 -0.989159244850847 10971377 C1=CC=C(C=C1)COC(=O)/C(=C/2\C=CC=CN2)/C(=O)C3=C(C=CC=C3Cl)Cl 1 4.303 1 3 -5.31004903179801 10968580 C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2.[Br-] Br- 1 3.926 1 0 7.7426686112107 10966552 CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O 1 2.313 2 2 -3.81730525821111 10959850 CCOC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC=C(C=C2)OC.[Br-] Br- 1 2.878 1 4 -3.54616108767825 10958572 CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C=C(O3)C4=CC=CC=C4)C 1 3.907 0 4 4.40441606620906e-002 10950575 COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)NCC5=CC=C(C=C5)OC 1 4.24 6 2 0 -7.35443585923382 10949169 COC1=CC=C(C=C1)CNC2=NC(=NC3=C2NC=N3)NCC4=CC=C(C=C4)OC 1 2.629 6 2 0 -1.41762674343237 10947895 CN1CC[C@H]([C@@H](C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F 1 3.765 1 3 4.00682863315102 10938773 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O 1 2.938 3 5 0 -16.7228336279072 10936336 C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=CC=CC=C32.[Br-] Br- 1 3.89 1 1 -2.28130965681208 10932971 CC(=CCC1=C(C=CC(=C1O)C(=O)C)O)C 1 2.942 0 3 -0.734674293450069 10900597 C1C[C@H](N(C1)C(=O)[C@@H](C2=CC=CC=C2)O)CO 1 0.576 1 3 0 -6.46468566022838 10893800 CCOC(=O)C1=NN(C\2=C1CC/C2=C/C3=CC=CC=C3)C4=CC=C(C=C4)F 1 5.733 2 2 -3.14211163384773 10889077 CC1=CC(=NO1)NC(=O)C2=CC(=NO2)C 1 0.781 3 3 0 -13.9363746374186 10888484 C1C(O1)CCOCC2=CC=CC=C2 1 1.412 0 2 0 -3.24066943952469 10881409 CC1=CC=[N+](C=C1)CC2=CC=C(C=C2)[N+](=O)[O-].[Br-] Br- 1 3.398 2 2 0.993306681886142 10860295 CNC1=CC2=[N+](C3=CC=CC=C3N=C2C=C1)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 3.349 3 0 1.13527593241777 10855676 CCOC(=O)CC[NH3+].[Cl-] Cl- 1 -1.349 1 2 0 -7.43289738730553 10845643 C/C=C/C(C1=CC2=CC=CC=C2C=C1)O 1 3.181 0 1 2.7530363482636 10833431 C1C(N(N=C1C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)F 1 4.735 3 1 -4.67388275204829 10807217 CC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=CC=CC=C32.[Br-] Br- 1 4.376 1 1 -1.31724909229033 10787985 CCCCCCCCCCOCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-] Cl- 1 8.257 2 1 5.13105863565024 10783586 CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O 1 2.964 1 4 -11.6562857795842 10779018 C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=N2.[Br-] Br- 1 2.04 2 1 -3.14816303671486 10768387 CC(=[N+](C)CCNS(=O)(=O)C1=CC=C(C=C1)Cl)NC2=CC=C(C=C2)OC.[I-] I- 1 2.52 3 3 -4.24944763770362 10738328 C1CCN2C(C1)C(=O)N(C2=O)CCN3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.736 4 2 2.05116069803646 10735291 C1=CC=C2C=[N+](C=CC2=C1)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Cl-] Cl- 1 3.708 3 4 0 0.276210184883167 10731870 C=C1CN(S(=O)(=O)C2=CC=CC=C12)CC3=CC=CC=C3 1 2.795 1 2 0.173366596498364 10713707 C1=CC=C2C(=C1)C=CC=[N+]2CC(=O)C3=CC=C(C=C3)Cl.[Br-] Br- 1 4.554 1 1 0.504749598296486 10707928 C1=CC=C(C=C1)C2=C3N=C(C4=CC=CC=C4N3N=N2)Cl 1 3.444 4 0 1.18946336513364 10707508 C1=CC=[N+](C=C1)C2=C(NC3=CC=CC=C3C2=O)O.[Cl-] Cl- 1 2.538 2 2 -5.36833812242164 10692407 CCCCCCCCCOCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-] Cl- 1 7.801 2 1 5.13105863565024 10669105 C1=CC=C2C(=C1)C=CC=[N+]2CC(=O)C3=CC=C(C=C3)Br.[Br-] Br- 1 4.638 1 1 -0.951910146804952 10667945 C1CC2C(=O)N(C(=O)N2C1)CCCN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 1.572 5 4 0 -2.86399790856061 10667944 C1CCN2C(C1)C(=O)N(C2=O)CCN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 1.966 5 4 0 -4.44583223885592 10660611 CC1=CC(=NC=C1)NC(=O)CN2C3=CC=CC=C3OC2=O 1 2.057 3 3 -3.85620351776581 10644955 C1CCN2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.379 4 2 5.20204633888823 10644152 C1CC2C(=O)N(C(=O)N2C1)CCCCN3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.922 4 2 5.8978619010489 10640658 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=CC=C(C=C2)C(F)(F)F 1 3.501 1 3 -8.62904160078496 10638284 CC1=NC(=C(N=C1C(C)N(C2=CC=CC=C2)C(=O)C)C#N)C#N 1 2.035 5 1 -7.13362419778537 10631343 C/C(=C/1\C=NNC(=N1)SC)/N=O 1 1.008 4 1 0 -7.33471723239011 10617195 C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 2.381 1 4 -3.6114971505125 10609573 CCC1=C2CCC[C@H]3N2C(=C1C(=O)CC)CC3 1 3.765 1 1 -7.73847981479022 9282207 CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5O 1 4.675 4 1 3.26414238064146 9281242 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C(=O)C5=CC=CO5 1 4.094 4 2 -0.689996377240181 9280527 CN(C)C1=C2C=C(SC2=NC=N1)C3=CC=CC=C3 1 3.623 3 0 -1.10878682481097 9280425 C1COCCN1S(=O)(=O)C2=CN=C(C=C2)NCCCO 1 -1.118 3 4 0 -15.649920601591 9279077 CC1=CC=CC2=C1NC3=C2N=NC(=N3)NN=C/C(=C/C4=CC=CO4)/C 1 3.895 6 1 0 -7.13823671844515 9274410 CCC1=NOC(=C1C(=O)NNC(=O)C2=CC=CC=C2F)C 1 1.626 3 3 0 -15.6434029814289 9273721 CC1=C(C=CC(=C1)OCC(=O)OCC(=O)N2CCC3=CC=CC=C3C2)Cl 1 3.595 1 4 -12.5261112758322 9273649 CCC1=NOC(=C1C(=O)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C 1 1.371 3 6 0 -17.0365959380775 9271430 CCC1=NOC(=C1C(=O)NNC(=O)C2=CC=C(C=C2)N(CC)CC)C 1 2.28 4 3 0 -17.8047600251798 9271301 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NN3CCCCC3 1 2.643 3 3 -9.54477592377939 9271174 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C)C 1 3.037 3 3 -8.80655125255316 9271165 CCC1=NOC(=C1C(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)C 1 3.394 3 2 -7.69366535288171 9270857 C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.707 4 4 0 -22.1497313005033 9270833 C1=COC(=C1)CNC(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 1.899 2 5 0 -14.9560803455546 9270646 C1=CC=C(C(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Cl)F 1 2.618 1 4 -12.1104852680596 9270121 C1CN(CCN1C(=O)C2=NNC(=O)C=C2)S(=O)(=O)C3=CC=CC(=C3)F 1 0.123 4 4 0 -24.7095782240413 9270083 CC(=O)NC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3NC2=O 1 2.086 3 2 -10.3145574399814 9269981 COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)OC 1 2.559 2 5 0 -21.0140994295132 9269644 C1=CC=C2C(=C1)NC(=O)C(=N2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.427 3 3 -13.1914937098579 9269643 COC1=CC=C(C=C1)CC2=NC3=CC=CC=C3NC2=O 1 2.516 2 2 -11.5100621316448 9269642 C1=CC=C2C(=C1)NC(=O)C(=N2)CC3=CC=C(C=C3)Cl 1 3.197 2 1 -9.27509723191388 9269565 CC(=O)NC1=CC=CC(=C1)C(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32 1 0.141 5 4 0 -16.6304832865988 9269539 CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5 1 3.317 5 2 0 -7.15981736476051 9269532 CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5 1 3.666 5 2 0 -10.2422038687409 9269385 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3 1 2.208 4 4 0 -16.7759030745594 9269197 CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4CC4)C 1 2.052 5 2 0 -20.9813406948571 9269122 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2 1 2.131 4 4 0 -18.2270338267605 9268945 CCOC1=CC=CC=C1NC(=O)CC2(CCCC2)CC(=O)N3CCOCC3 1 2.054 2 4 -12.9647591866099 9268944 COC1=C(C=C(C=C1)NC(=O)CC2(CCCC2)CC(=O)N3CCOCC3)Cl 1 2.37 2 4 -9.47460854759092 9268929 C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)C3=NC=CN=C3 1 1.854 4 2 0 -15.648458061458 9268906 CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C 1 1.927 2 4 0 -11.9265574421887 9268830 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=NN=C4N3C=CC=C4 1 1.009 6 2 0 -16.5971767085389 9268811 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.86 2 6 0 -13.281482276022 9268785 C1CCN(C1)C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3 1 1.092 2 7 0 -13.994302055835 9268733 COC1=CC(=C(C=C1CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)OC)OC 1 2.36 1 6 0 -12.4403995826223 9268663 CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(SN=C2C)NC 1 2.111 3 3 -16.5293072410219 9268633 CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)COC(=O)C4=CC=C(C=C4)O 1 3.065 3 5 0 -5.47160351084783 9268568 C1CC(CCC1NC(=O)C2=CC=CC3=C2N=CC=C3)O 1 1.845 2 2 0 -5.68025031561173 9268561 CC(C)(C)NC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2 1 2.148 3 3 -27.0393836637674 9268549 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.316 2 5 0 -10.3824444952517 9268548 CC1=C(C(=NO1)C)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC 1 2.296 3 4 0 -8.24439638369381 9268495 C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NC=CN3C4=CC(=CC=C4)F)N 1 1.629 5 3 0 -6.23314606289865 9268465 C1CCC2=C(CC1)SC(=C2)C(=O)N3CCC(CC3)C(=O)N 1 2.511 2 2 -9.35137138193629 9268436 C1COC2=C(O1)C=CC(=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F 1 3.349 1 3 -7.5859890126814 9268287 CC1=C(C(=NO1)C)CCC(=O)NC2=CC=C(C=C2)NC(=O)C 1 1.108 3 3 0 -19.9912930761547 9268266 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)OC 1 2.8 2 4 -2.02063896190767 9268193 CC(=O)NC1=CC=C(C=C1)NC(=O)CC2(CCCC2)CC(=O)N3CCOCC3 1 0.842 3 4 0 -11.8297114269279 9268164 CCC1=NOC(=C1C(=O)NCCC2=CC=C(C=C2)Cl)C 1 3.156 2 2 -12.7418345418803 9268118 CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 1.984 5 3 0 -14.7152711083182 9268085 CN1C(=NN=C1SCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N)CC4=CC=CC=C4 1 1.284 6 3 0 -16.5413119174643 9268077 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.112 2 3 -14.0523097137641 9268067 COC1=CC=CC=C1CNC(=O)CN2C=NN=N2 1 -0.233 5 2 0 -26.6966299794062 9267983 CN(C)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3CC3 1 2.76 3 3 -16.3286653426557 9267924 CN1CC(=O)N=C1NC(=O)NC2=CC=C(C=C2)O 1 0.42 4 3 0 -4.80181300834955 9267921 CCN1C(=NC2=C1C=CC(=C2)NC(=O)NC3=CC=CC(=C3)C(=O)C)C 1 2.593 4 2 -5.82492769512769 9267846 CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CS2)C(C)C 1 3.591 1 3 -5.85753318297132 9267842 CCC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CC=CS2 1 2.99 1 3 -7.25684909896453 9267806 CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=CO2)S(=O)(=O)NC 1 0.715 3 5 0 -19.4051478767497 9267720 CC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)C 1 2.025 5 4 0 -12.6398280148592 9267686 CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O 1 2.321 1 5 -13.8217970302866 9267647 CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 4.338 1 5 -2.54368906686835 9267578 CC(C)N1C(=NN=N1)SCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4 1 1.542 6 3 0 -18.8012481482494 9267437 CCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CCN(CC3)C 1 2.668 2 3 -10.4813336118527 9267398 CC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3 1 3.538 1 4 -4.86700082468853 9267286 CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC(=O)C3=CC=CC=C3O2 1 3.157 1 3 -3.33688699718506 9267240 C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)Cl)F)N3C=NC=N3 1 3.027 4 1 -6.07181908789963 9267234 CC1=CC(=CC=C1)OCCNC(=O)C2CCN(CC2)C(=O)C 1 1.378 2 3 0 -9.33237165243016 9267227 CC(=O)N1CCN(CC1)C(=O)C2=CC(=O)C3=CC=CC=C3O2 1 0.249 2 4 0 -9.64112012570465 9267223 C1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 3.573 4 2 -9.09023116767353 9267199 CC1CCC(CC1)(C#N)N(C)C(=O)CSC2=NN=C(N2C3CC3)C4CC4 1 3.167 5 1 -17.1744158371852 9267198 C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NC(=CS3)C4=CC=CC=C4)N 1 2.156 4 3 0 -10.5361753591406 9267178 C1CCC(CC1)NC(=O)CN2C=NC3=C(C2=O)C=CS3 1 1.661 3 2 0 -13.709672128709 9267166 CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)OC 1 4.169 4 2 -6.33710883868677 9267164 COC1=CC=C(C=C1)NC(=O)C2=CN=CN2C3=CC=CC=C3 1 2.559 3 2 -2.4204825134779 9267147 CC1=CSC(=N1)SCC(=O)N(C2=CC=CC=C2)C(C)C 1 3.22 2 1 -16.046022970292 9267131 CC1=CC=CC=C1S(=O)(=O)NC2=NC=NC3=CC=CC=C32 1 2.901 3 2 -1.1845238987122 9267126 CC1=CC=CC=C1S(=O)(=O)NC2=C3C=CSC3=NC=N2 1 2.625 3 2 -6.34177318430625 9267120 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=NC3=CC=CC=C32 1 2.901 3 2 0.680661791746267 9267065 COC1=CC=C(C=C1)OCCC(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3 1 2.159 1 7 0 -11.6806496614668 9267028 CCOC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3 1 2.26 1 7 0 -13.3990776828141 9267026 COC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3 1 1.911 1 7 0 -13.7582369069908 9266986 CCC1=CC=CC=C1NC(=O)COC(=O)C2=C(SN=C2C)NC 1 2.492 3 3 -13.7583863011955 9266974 CC1=NSC(=C1C(=O)OCC(=O)N(C)CC2=CC=CC=C2)NC 1 1.762 3 3 0 -14.6324873477772 9266927 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N(C)CC3=CC(=CC=C3)F 1 1.624 4 2 0 -8.7759791819624 9266901 CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 1.84 3 4 0 -22.21980683569 9266892 C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=N4 1 3.333 4 1 0.239755180619834 9266785 CC(=O)C1=CC(=C(C=C1)OC)CC(=O)NC2=CC3=C(CCC3)C=C2 1 3.43 1 3 -12.7082362630181 9266424 C1OC2=C(O1)C=C(C(=C2)C3=NC4=CC=CC=C4S3)Br 1 4.355 1 2 8.18626511251577 9265987 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5 1 4.457 3 3 2.65939803937054 9265982 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OCC4=CSC=N4 1 2.702 3 3 -8.47454291302658 9265972 CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4 1 2.963 3 3 -8.99021970191343 9265870 COC1=C(C=C(C=C1)CNC(=O)CC2=CSC=C2)C(=O)OC 1 2.157 1 4 -15.5781773606698 9265404 CN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 4.576 1 3 -2.18487000246844 9265376 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3(CCCC3)NC2=O 1 1.927 3 5 0 -14.093352232521 9264072 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O 1 1.911 2 5 0 -15.3707318229393 9263808 CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC3=C(CCC3)C=C2 1 3.467 2 3 -7.84930117289149 9263275 C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)CNCCCO 1 4.223 2 1 2.53154146754807 9263144 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.169 4 3 0 -8.49330193698474 9262818 CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCCC3=CC=C(C=C3)OC 1 3.2 1 4 -7.83028702262414 9262732 CCCN1C=CN=C1SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.608 5 2 0 -22.7297776860442 9262645 C1=CC(=CC=C1OCC(=O)OCC(=O)NC2=NC=C(S2)Br)Cl 1 2.386 2 4 -7.38688039710151 9262548 CN(CC1=CC=CO1)CC(=O)NCCC2=CC=CC=C2 1 2.049 2 2 -11.0687231889326 9262541 CN(CC(=O)NC1=CC(=CC=C1)F)CC(=O)N2CCCCC2 1 1.344 3 2 0 -7.85673600745392 9262494 COC1=CC=CC=C1CNC(=O)CCCN2C(=O)C3(CCCC3)NC2=O 1 1.713 3 4 0 -17.3807456804242 9262486 C1CCC2(C1)C(=O)N(C(=O)N2)CCCC(=O)NC3=CC=C(C=C3)F 1 1.928 3 3 0 -8.95906829849871 9262304 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCCC2 1 2.413 2 2 -10.1625062690379 9262270 COC1=CC=CC(=C1OC)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.65 2 5 0 -23.3285396454103 9262257 CCCN1C(=O)NN=C1SCC(=O)C2=C(N(C(=C2)C)C3CC3)C 1 2.825 4 2 -15.8923925742222 9262178 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CC2=CC(=CC=C2)C(F)(F)F 1 3.829 2 2 -7.31394577179935 9262014 CC1=C(C(=CC=C1)NC(=O)CN(C)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)C 1 4.184 3 2 -10.0113476057118 9261962 CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)CSC3=NN=NN3C4CC4 1 2.714 6 1 0 -22.3308822759337 9261898 C1CN(C(=O)N1)C(=O)COC2=C(C=CC(=C2)Cl)Cl 1 2.006 2 3 -11.2157943848862 9261875 C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.71 3 3 -7.88051423306763 9261812 C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NN=C(O3)C4=CC=CC=C4F)N 1 1.259 5 4 0 -15.1968765190662 9261809 CC1=NN=C(N1CC=C)SCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N 1 0.201 6 3 0 -20.0645540504891 9261799 CCCCCN1C=NN=C1SCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N 1 1.109 6 3 0 -17.8527893629069 9261791 CCOC1=CC=C(C=C1)OCCNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4CC4 1 3.667 4 3 0 -13.1755869572502 9261735 C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=CC=CC=C4O3)C(=O)O 1 2.117 3 4 0 -5.59278147807844 9257996 C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N 1 1.94 3 2 0 -18.8088985722419 9253678 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CN3CCCCCC3 1 3.098 3 3 -10.072943667631 9253429 CN(CC(=O)NC1CCCCC1)CC(=O)NC2=CC=C(C=C2)F 1 2.08 3 2 -9.3264688604275 9253402 CN(CC(=O)NCCC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)F 1 2.126 3 2 -10.4391112158839 9253224 CN(CC(=O)NC1=CC=C(C=C1)F)CC(=O)N2CCCCCC2 1 1.801 3 2 0 -8.93586464761912 9246546 C1COCCN1C(=O)CCC(=O)NCCC2=C(C=C(C=C2)Cl)Cl 1 1.924 2 3 0 -18.24823390203 9246338 COC1=CC=CC=C1CNC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3 1 2.972 2 4 -23.6044325600972 9246286 COC1=CC=CC=C1CNC(=O)CNC(=O)C2=CC=C(O2)Br 1 1.628 2 4 0 -16.8170332416919 9246197 COC1=CC=CC=C1CNC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.495 3 4 0 -18.090606667065 9265057 COC1=CC=C(C=C1)CCNC(=O)C2=NC3=CC=CC=C3N=C2 1 2.819 3 2 -8.50024683772117 9246006 COC1=C(C=C(C=C1)CCNC(=O)CNC(=O)C2=CC=C(O2)Br)OC 1 1.933 2 5 0 -18.1093366271293 9245722 C1CN(CCC1O)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 1.353 1 5 0 -3.08026503675109 9264974 CN(CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=CC=CC3=CC=CC=C32 1 3.637 2 2 -4.8540828696869 9264970 CC(=C)CNC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC3=CC=CC=C3 1 3.066 2 4 -17.9000591411315 9264607 CC1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2N=CC=C3 1 3.287 2 1 -3.24440486951845 9264592 COC1=CC(=C(C=C1)NC(=O)CC2=CSC=C2)OC 1 2.278 1 3 -11.4179248998553 9264394 CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)NC3=C(C=CS3)C(=O)N 1 0.604 4 4 0 -12.9774656422749 9264094 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 2.816 3 4 0 -18.2441363780142 9244978 CC1=C(C=C(O1)CCC(=O)NC2CCCCCC2)C(=O)C 1 2.702 1 3 -12.9770235836863 9240253 C1CN(CCN1C(=O)CCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3Cl 1 2.448 2 4 -20.4632089172394 9238203 CC1=CC(=CC=C1)OC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O 1 4.484 1 5 -6.79968317207828 9223892 CCC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C 1 1.117 3 5 0 -31.7389625095073 9222808 CN(CC(=O)NC1=CC=C(C=C1)OC)CC(=O)N2CCCCCC2 1 1.579 3 3 0 -10.0607078822285 9221393 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.474 3 5 0 -9.96916688227441 9220189 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=COCCO3 1 1.142 2 5 0 -18.5236014686706 9219265 CC1=CC(=C(C(=C1)C)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C 1 4.906 2 3 -10.2049266231848 9218001 C1CCCC(CC1)NC(=O)CNC(=O)C2=CC=C(O2)Br 1 2.375 2 3 -13.9733910200599 9215516 CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.961 2 3 -7.56200927920467 9210462 C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)F 1 2.797 2 3 -15.7513035623131 9210309 CCC1=NOC(=C1C(=O)NC2=CC(=C(C=C2)F)F)C 1 2.574 2 2 -12.2122903229328 9210166 CN1C=C(C2=CC=CC=C21)C(=O)NC3CC3 1 2.027 2 1 -6.38583162175591 9210164 COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3CC3)CC4=CC=CC=C4)OC 1 3.675 3 3 -11.492101661969 9210148 COC1=C(C=C(C(=C1)CC(=O)NC2CC2)Br)OC 1 2.278 1 3 -10.7764489803816 9210093 COC1=CC=CC=C1C2=NN(C=C2C(=O)NC3CC3)C4=CC=CC=C4 1 3.684 3 2 -1.26599619648226 9209386 CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=C(O3)C4CC4 1 3.001 3 2 -7.69909686746126 9209264 CC1=CC(=CC=C1)NC(=O)CC2=NC(=CS2)C3=CNC(=C3)C(=O)N4CCCC4 1 3.204 4 2 -2.18649333615042 9209253 CC1=C(OC2=C1C=CC=C2F)C(=O)NCC3=CC=CC=C3CN4CCCC4 1 4.442 2 2 6.31869036640998 9209220 C1COCCN1CC2=CC=CC=C2CNC(=O)CCC3=NC(=NO3)C4=CC=CC=C4 1 2.249 4 3 0 -12.4751449694667 9209110 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)N4C=NN=N4 1 1.079 6 3 0 -30.4652431634127 9208936 C1CN(CCC1NC(=O)CC2=CC=C(C=C2)Br)CC3=CC=CC=C3 1 3.515 2 1 -3.08748753242332 9208928 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCCCC2=CC=CC=C2 1 1.53 3 4 0 -20.6329127834978 9208868 CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCC2 1 3.428 1 3 -8.52452433719754 9208822 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)C3=CNC(=C3)C(=O)N4CCCC4 1 3.204 4 2 -6.4989937612502 9208674 CCN(C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4)S(=O)(=O)C 1 2.713 4 3 0 -17.8855398148861 9208594 COC1=CC=CC(=C1)C2=NOC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 1.965 4 5 0 -1.39649572298368 9208579 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC(=NC4=CC=CC=C43)Cl 1 2.58 3 3 -6.709156910914 9208526 COC1=CC=CC(=C1)CN2C(=O)C3(CCCCCC3)NC2=O 1 2.996 2 3 -1.72606611210709 9208406 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CCNC(=O)C2=CC=CO2 1 1.35 3 4 0 -20.1972594607387 9208404 CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3 1 1.436 3 4 0 -26.6877722771019 9208324 CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=NC3=CC=CC=C3N=C2 1 3.59 3 1 -8.21150184785639 9208298 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 4.081 2 3 -5.4407083928751 9208256 COCC1=C(OC2=CC=CC=C21)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4 1 3.46 3 3 4.34554956843394 9208099 COC1=CC=CC(=C1)CNC2=NC(=NC3=CC=CC=C32)C(F)(F)F 1 3.874 3 1 1.26742854259692e-002 9208065 CN(CC(=O)NC1=CC(=CC=C1)F)CC(=O)N2CCC3=CC=CC=C32 1 2.079 3 2 -11.0370109776134 9207980 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NN=NN2C3CCCC3 1 2.341 5 2 0 -31.6603276757282 9207954 CCN1C(=CC(=C1C)C(=O)CSC2=NN=NN2C3CCCC3)C 1 2.821 5 1 -25.7725374958186 9207941 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N2CCC2 1 4.174 1 2 -5.52888813092152 9207931 C1CN(CCN1C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3F 1 2.154 3 3 -19.7401947915957 9207929 COC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F 1 1.932 3 4 0 -20.3415599698171 9207921 CC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.229 3 3 -21.357078901328 9207920 COC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.726 3 4 0 -21.7700451104721 9207918 C1CN(CCN1C(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 2.407 3 3 -19.5350802107411 9207912 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=CC=C3)OC 1 2.213 3 4 0 -20.8827966128414 9207910 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC=CC=C3OC 1 2.213 3 4 0 -22.9882933023019 9207906 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)F)C 1 2.921 3 3 -15.1852765567226 9207900 CC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.213 3 4 0 -20.8740354712359 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CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC(=NC3=CC=CC=C32)C 1 3.109 3 2 -11.0434893460141 9206616 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC3=C2N=CC=C3 1 1.921 3 2 0 -6.68551620284691 9206462 C1=CC2=C(C=C1NC(=O)COC(=O)/C=C/C3=CC=C(O3)Br)NC(=O)N2 1 1.615 3 5 0 -16.3667310642552 9206394 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NC3=C(C=C(C=C3)Cl)F 1 2.374 3 3 -7.93788771227422 9206325 CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCC(=CC3)C4=CC=CC=C4 1 3.799 2 1 -6.35034825994716 9206314 C1=CC=C(C=C1)/C=C/S(=O)(=O)NCCC(=O)NCCC2=CNC3=CC=CC=C32 1 2.189 3 3 -11.0013380546159 9206264 C1CC1N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=NC=C4 1 2.568 6 1 0 -17.1919910793136 9205925 CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4 1 4.175 4 2 -11.411684529409 9205921 C1CCC(CC1)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4 1 4.454 3 1 -5.93434008332711 9205830 CN(CC1=CC=CC=C1F)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3 1 2.594 2 4 -16.8235946007203 9205818 CCOC1=CC=C(C=C1)CN(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)C 1 3.224 2 4 -18.7205546845807 9205433 C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] 1 3.05 3 5 0 -5.41159185931233 9205386 COCC1=C(OC2=CC=CC=C21)C(=O)N3CCN(CC3)CC4=C(C=CC=C4Cl)F 1 4.053 2 3 -9.08204964600136e-002 9205294 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 4.008 2 3 -15.4931643125614 9205182 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C2=CC3=C(C=C2)OCCO3 1 2.314 2 5 0 -11.9596941929053 9205106 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)CC4(C3=O)CCCC4 1 2.025 3 4 0 -14.9932991390838 9204413 CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4 1 3.411 2 3 7.42064496593159 9204278 CCN1C2=C(C=C(C=C2)C(=O)N(CCOC)CC(=O)NC3=CC=CC(=C3C)C)N=N1 1 2.881 5 3 0 -16.6481199859214 9204201 COC1=CC=CC=C1CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.726 3 4 0 -24.0527159385504 9204198 C1CN(CCN1C(=O)NCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3F 1 2.613 3 3 -17.9032433840815 9204120 CCOC1=CC=CC=C1C(=O)NCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 1.945 3 5 0 -11.4468459235843 9203947 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N(CC3=CC=CO3)CC4=CC=CS4 1 2.328 3 4 0 -13.1858650484272 9203932 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=CC3=C(C=C2)OCCO3 1 3.108 2 4 -13.8988650284441 9203925 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC=C(O2)C3=CC=CC=C3F 1 3.386 2 3 -13.6484770788916 9203860 CN(CC1=CC=C(S1)Cl)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.436 3 2 -5.44416620250689 9203843 C1CN(CCN1CCOC2=CC=C(C=C2)Cl)C3=NC=C(C=C3)S(=O)(=O)N 1 1.719 4 3 0 2.84773639005124 9203780 CN(CC(=O)NC1=CC=CC=C1SC)C(=O)CN2C3=CC=CC=C3OC2=O 1 1.99 3 4 0 -16.9107413276597 9203775 CCC1=C(C=C(S1)C(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F)C 1 3.295 3 2 -6.97616402857633 9203733 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C3=NC=NC4=CC=CC=C43)C)C 1 3.998 4 2 -3.37293436830539 9203591 CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl 1 2.092 2 4 -19.7633249679219 9203584 CN(CC1=CC(=CC=C1)OC)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.221 3 3 -11.7790874337544 9198955 CN(CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.779 3 2 -9.45050888160533 9194112 C1CC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F 1 1.788 2 3 0 -15.5841351480121 9193483 CC1=CSC(=O)N1CC(=O)NC2=NC3=CC=CC=C3S2 1 1.777 3 2 0 -5.96128614939307 9192653 CC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=CSC2=O)C 1 2.303 2 2 -8.06956703453288 9186530 COC1=CC=CC=C1N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl 1 4.455 3 1 4.49523118065308 9204638 C1CC1C(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)Cl)F 1 1.801 3 2 0 -8.57243041613476 9204567 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=NSN=C3C=C2 1 3.123 4 3 0 -3.16902186852224 9204530 CN(CC1=CC=CO1)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 1.419 3 3 0 -15.1155309469088 9184438 CC(C)(CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])N2CCOCC2 1 2.884 3 3 -4.0919352612231 9184317 C1=CC(=CC=C1F)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3 1 2.73 4 2 -5.11427023851884 9179292 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=N3 1 1.581 3 3 0 -17.5108678741133 9178088 C1COC2(O1)C3=C(C=CC(=C3)Cl)N(C2=O)CC4=CC=CC=C4 1 2.973 1 3 -3.75015652991169 9177767 CCOC1=CC=CC=C1CN2C3=CC=CC=C3C4(C2=O)OCCO4 1 2.641 1 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CC(COC1=CC=C(C=C1)/C=C/C2=CC=CC=C2)[N+](C)(C)C.[I-] I- 1 2.961 1 1 -0.797724584421009 10042240 CC1=NN=C(C2=CC3=C(C=C2C1)OCO3)C4=CC=C(C=C4)N.Cl Cl- 1 2.337 3 2 4.68245533894482 10037895 C1=CC=C2C(=C1)N=C(O2)NN/C=C/3\C=CC=CC3=O 1 1.202 3 2 0 0.381294219790839 10037511 C1=CC=C(C=C1)OCC(=O)NCCC2=CN=CN2 1 0.67 3 2 0 -6.88079498634749 10013378 C1C2C(C3=CC=CC=C31)NS(=O)(=O)O2 1 0.544 1 3 0 -2.00540640722352 10006487 C/C=C/C=C/C(=O)N1CC[C@@]23[C@@H]1N4CC[C@@]25[C@@H](NC6=CC=CC=C36)N(C7=CC=CC(=C57)[C@@H]4C8C(O8)(C)C)C 1 4.444 4 2 -3.92391506630106 10000306 CC1=C(C=C2C(=C1)C3=C(N2)C4=CC=CC=C4[N+](=C3)C)C.[I-] I- 1 5.1 2 0 7.17450851805303 9993013 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=NC3=C(C=NN23)C#N 1 1.823 5 2 0 -6.64830186607183 9992755 COC1=CC=C(C=C1)CCC2=CC(=CC(=O)O2)OC 1 2.52 0 4 -2.13397034005055 10008573 CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F.CS(=O)(=O)O CS(=O)(=O)O 1 2.687 4 5 0 2.16641163943708 8674495 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(S2)NC3CC3 1 2.225 4 2 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C1=CC=C(C=C1)CCNC(=S)NCC2=CC(=CC=C2)Cl 1 4.81 2 0 -6.36431128463274 8663556 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CO2)O 1 1.719 1 6 0 -9.86879010045414 8663555 COC1=CC=CC=C1CNC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC 1 2.521 1 6 0 -9.70791941054097 8663169 CCN1C(=CC(=C1C)C(=O)CSC2=NN=C(O2)C3=CC=CO3)C 1 2.803 3 3 -10.5274602214149 8662955 C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 1.889 2 6 0 -20.0360083298009 8662405 COC1=C(C=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC=CS2)Cl 1 1.982 2 5 0 -15.8536026778667 8662294 CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CNC(=O)C2=CC=CS2 1 2.354 1 5 -16.3618932722338 8661406 C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC(=O)N3CCNC3=O 1 2.21 2 4 -12.2569922042918 8661334 C1=CC=C(C=C1)CCNC(=O)COC(=O)CC2=CC=CC=C2F 1 2.89 1 3 -14.2914482145236 8661312 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CC3=CC=CC=C3F 1 3.216 3 3 -11.0447195997806 8659969 COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.821 3 3 -23.3514900283601 8659967 CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 4.324 3 2 -23.2952292139037 8659951 COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 3.599 3 4 0 -25.2463913907306 8659853 CC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 4.826 3 2 -24.6196561819534 8659851 COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 3.616 3 3 -25.0567709195863 8659848 COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 3.616 3 3 -25.3160820877492 8659847 CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 4.118 3 2 -24.9031158786051 8659827 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC 1 4.102 3 3 -24.4200724485131 8658938 CCCCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2 1 3.052 4 2 -19.0277099871194 8655862 CC1=C(C=CC=C1Cl)NC(=S)N2CCCCCC2 1 5.572 2 0 -7.80329200804441 8655634 C1=CC=C(C(=C1)NC(=S)NN2C=NN=C2)F 1 1.841 5 0 0 -6.4595371692081 8653831 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=CS2 1 2.157 2 4 -12.7978562311081 8653731 C1CCC(CC1)NC(=O)COC(=O)/C=C/C2=CC=CS2 1 3.024 1 3 -10.7915254470054 8653103 C1=CSC(=C1)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)F 1 2.948 1 3 -7.06828020852725 8652492 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)/C=C/C2=CC=CS2 1 2.214 2 4 -12.4918362822777 8649435 CC(=O)C1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=CC=CS2 1 2.482 1 4 -13.6289501797427 8648868 C1=CC(=C(N=C1)[N+](=O)[O-])OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 2.45 4 4 0 -3.1189610838836 8648481 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)/C=C/C2=CC=CS2 1 2.494 2 4 -13.203713307743 8648327 COC1=CC(=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=CS2)OC 1 2.71 1 5 -12.2777925895385 8648199 CCC1=CC(=CC=C1)NC(=O)COC(=O)/C=C/C2=CC=CS2 1 3.685 1 3 -7.02820627797304 8646929 C1CCN(CC1)CC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F 1 3.228 3 1 1.09396150442405 8635108 COC1=C(C=C(C=C1)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)F 1 4.008 1 4 -4.56795270514665 8634442 CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CC=CC=C2OC 1 1.334 2 4 0 -14.669236766434 8634342 CC1=NC=C(N=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3 1 2.232 2 3 -8.96672436189763 8634350 CC1=NC=C(N=C1)C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl 1 1.402 3 3 0 -15.3660916430112 8633655 CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=C(S3)N 1 1.976 4 1 0 -12.4187976278661 8633568 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)CSC2=NN=C(S2)N 1 1.207 5 2 0 -18.7309829433203 8632431 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NN=C(S2)N 1 1.029 5 2 0 -18.7316472147464 8632260 C1=CC(=C(C=C1F)NC(=O)CSC2=NN=C(S2)N)F 1 1.688 4 1 0 -12.3996526902224 8631325 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)C3=CC=CS3 1 2.115 3 4 0 -8.47156101831479 8631318 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC=CS2)OCC 1 3.268 1 5 -19.1982670405049 8631185 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=CS3 1 2.533 2 3 -8.00315058914507 8630918 C1=CSC(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F 1 2.808 1 3 -12.8850426946901 8630419 CC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C32)[N+](=O)[O-] 1 2.982 2 5 0 -18.2185944515144 8628926 CCCN1C(=O)NN=C1SCC(=O)NC2CCC(CC2)C 1 2.659 4 2 -22.2076751104824 8627332 COCCNC(=S)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC 1 3.868 2 3 -16.6112622197445 8626612 CCCN1C(=O)C(=O)N(C1=O)CC(=O)C2=C(N(C(=C2)C)C3CC3)C 1 1.538 3 4 0 -11.7155618813596 8624379 COC1=CC=CC(=C1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3 1 5.689 2 1 -6.77130236770318 8624377 COC1=CC=C(C=C1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3 1 5.689 2 1 -7.03061353586606 8623814 CN(CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)C(=O)CC2=CC3=C(CCC3)C=C2 1 5.092 2 3 -6.82499920234778 8622910 CC1=C(C(=NO1)C)CCC(=O)NC2=CC=C(C=C2)C(=O)NC 1 1.195 3 3 0 -23.0685889409917 8622032 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)CC2=CC3=C(CCC3)C=C2 1 4.301 2 2 -8.8594622361519 8620900 C1CN(CCN1C(=O)CSCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)F 1 2.434 2 3 -22.787399884413 8620879 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CC2=CC3=C(CCC3)C=C2 1 2.955 2 3 -9.92936805903815 8620218 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCCC2=CC=CC=C2 1 4.797 3 2 -11.3860893435463 8619952 CC1=CC(=CC(=C1)NC(=S)N2CCCC2)C 1 4.481 2 0 -10.729465976617 8619951 CC1=CC(=C(C=C1)C)NC(=S)N2CCCC2 1 4.481 2 0 -10.483404192705 8619650 CCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C 1 3.947 3 0 -8.10213833584724 8619645 CC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C 1 4.199 3 0 -7.57924050341652 8619636 CC1=C(C(=CC=C1)NC(=S)N2CCCCCC2)C 1 5.394 2 0 -8.05297175127193 8619632 CC1=CC=CC=C1NC(=S)N2CCCCCC2 1 4.907 2 0 -11.6239237991703 8619051 C1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)F 1 4.03 2 0 -4.51865208120815 8614711 CC1=CC=CC=C1CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.713 2 3 -19.8592762085886 8613313 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CC3=CC=C(C=C3)F 1 1.971 1 5 0 -10.4261674123623 8613282 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CC3=CC=C(C=C3)F 1 1.655 3 4 0 -18.9718486397945 8613253 COC1=CC=CC=C1CNC(=O)COC(=O)CC2=CC=C(C=C2)F 1 2.552 1 4 -14.0786035879524 8613243 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)CC2=CC=C(C=C2)F 1 2.492 2 4 -13.1009912157913 8613103 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)CC2=CC=C(C=C2)F 1 2.417 1 5 -10.6687780660458 8606577 CCOC1=CC=CC=C1C(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.495 3 5 0 -8.08850063480497 8606123 C1CCN(CC1)C(=O)COC(=O)C2=CNC3=CC=CC=C32 1 2.161 2 3 -7.88012370717894 8606097 C1=CC=C2C(=C1)C(=CN2)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.509 3 5 0 -8.3042409477491 8606009 C1CN(CCN1C(=O)COC2=CC=CC=C2Br)C(=O)C3=CC=CS3 1 2.662 2 3 -12.2431473043366 8605707 CC1=CC(=C(N1C)C)C(=O)COC(=O)/C=C/C2=CC=CC=C2OC 1 2.983 1 4 -6.46474263639489 8605040 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 2.182 1 6 0 -8.23911737253626 8605008 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)N2CCCC3=CC=CC=C32 1 3.509 1 4 -8.69126216713675 8604909 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)NC(=O)NC2CCCCC2 1 2.834 2 5 0 -9.12173332965575 8604482 COC1=CC(=C(C=C1)/C=C/C(=O)OCC(=O)N2CCCCCC2)OC 1 2.759 1 5 -7.28090376624891 8604336 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC3=C(C(=CC=C3)Cl)Cl 1 2.871 3 3 -14.2872777983505 8604153 C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=C(C=CC(=C3)Cl)O 1 3.131 0 6 -5.84700319692805 8604149 C1=CC(=C(C=C1Cl)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)O 1 1.532 2 5 0 -6.32135387850013 8604126 C1CCC(=CC1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)Cl)O 1 3.495 1 4 -9.51638082097467 8603516 CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)NC(=O)C)OC 1 1.766 3 4 0 -12.2319472331703 8603514 CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)C)C 1 3.634 2 2 -6.62976963544408e-002 8603511 CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3F 1 2.867 2 2 -3.07715725866932 8603508 CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 3.073 2 2 -1.46474181555571 8603505 CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)F)F 1 3.073 2 2 -0.213550219914181 8597930 C1CN(CCN1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F 1 3.751 2 2 -7.15693729686138 8593545 CC1=CC2=C(C=C1)N(CCC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 3.223 3 3 -25.6624360585075 8592229 COC1=CC=CC(=C1)N2CCN(CC2)CC3=NC=C(O3)C4=CC=CC=C4 1 3.417 3 2 9.35999788399116 8590642 CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=C(C=C(C=C2)C)F 1 3.364 2 3 -17.7106660392626 8590507 C1=CC=C(C=C1)CCNC(=O)COC(=O)CC2=CC(=CC=C2)F 1 2.89 1 3 -10.8971475038836 8590457 COC1=CC=C(C=C1)CCNC(=O)COC(=O)CC2=CC(=CC=C2)F 1 2.873 1 4 -10.3268616330883 8589909 CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)NC3=CC=CC(=C3)N4CCCC4=O 1 2.903 4 3 0 -12.5803901750792 8588782 CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)N(C)CC2=CC=CC=C2 1 2.291 3 2 -10.7173795082176 8588737 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3CC3 1 -7.8e-002 4 6 0 -13.8609165886191 8587643 CC1=CC(=C(C=C1NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)OC)OC)[N+](=O)[O-] 1 2.933 4 5 0 -6.73792392519437 8587502 COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC4=C(C=C3Br)OCCO4 1 4.05 2 3 4.96136788901309 8587286 C1CC1(C2=CC=CC=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3F 1 2.326 2 4 -14.3843183579849 8582580 COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3)OC 1 1.147 3 5 0 -17.0685162920782 8580922 CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC(=S)N2CCCC2 1 3.145 3 3 -14.623521626467 8580921 CC(C)C1=CC=C(C=C1)CCNC(=O)CSC(=S)N2CCCC2 1 4.824 2 1 -12.8440192413827 8580918 CCC1=CC=CC=C1NC(=O)CNC(=O)CSC(=S)N2CCCC2 1 3.304 3 2 -17.9267206642712 8580917 C1CCN(C1)C(=S)SCC(=O)NCC(=O)NC2=CC(=C(C=C2)F)F 1 2.772 3 2 -14.9705798018694 8580916 C1CCN(C1)C(=S)SCC(=O)NCC(=O)NC2=CC=CC=C2Br 1 3.11 3 2 -17.286660023654 8580915 COC1=CC=CC=C1OCCNC(=O)CSC(=S)N2CCCC2 1 3.341 2 3 -17.0143350277702 8580908 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CSC(=S)N2CCCC2 1 2.551 3 3 -15.0246364959429 8580905 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CSC(=S)N2CCCC2 1 3.423 3 3 -20.8143997974861 8580902 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CSC(=S)N2CCCC2 1 3.54 3 2 -17.1879027627671 8580561 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCC2CCCC2 1 3.233 1 5 -17.8725044169527 8577801 CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=CC=C(C=C3)CN4CCCC4)C 1 3.995 4 1 -9.60801868530371 8576245 CC1=NN(C(=C1C(=O)OCC(=O)NCC2=CC=CC=C2OC)Cl)C3=CC=CC=C3 1 3.28 3 4 0 -14.6818410059342 8575969 CC1=NN(C(=C1C(=O)OCC(=O)NCC2=CC(=CC=C2)OC)Cl)C3=CC=CC=C3 1 3.28 3 4 0 -12.5053255459861 8575477 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC3=CC=C(C=C3)C#N 1 3.802 3 2 -6.18493171193315 8574869 C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(C=C2)Cl 1 2.616 1 5 -14.602417772348 8574636 C1=CC=C(C(=C1)COC(=O)CCNC(=O)C2=CC=C(C=C2)Br)Cl 1 3.989 1 3 -11.3439197494335 8566174 CCCN1C(=NN=N1)COC2=CC=C(C=C2)C(=O)N 1 0.775 5 2 0 -20.3260073863111 8566147 CCN(CC(=O)NCC1=CC=CS1)C(=O)COC2=CC=C(C=C2)C(=O)N 1 0.813 3 4 0 -23.0636749405096 8565464 C1COCCN1C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.205 3 6 0 -5.33691814981851 8576370 CC1=NN(C(=C1C(=O)OCC(=O)NCCC2=CC=CC=C2)Cl)C3=CC=CC=C3 1 3.618 3 3 -12.5735397723089 8554793 CC(=O)C1=CC(=C(C=C1)OC)CN2CCC(=CC2)C3=CC=CC=C3 1 3.713 1 2 -7.57637097971044 8551896 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC3=C2OC(C3)(C)C 1 1.786 2 6 0 -15.8632530668112 8551891 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C 1 1.795 2 5 0 -14.2909003440015 8551822 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCCC3=CC(=CC=C3)OC)C 1 3.402 1 4 -12.4439257150968 8551703 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3=CC=C(C=C3)C(=O)OC)C 1 2.946 1 5 -11.6346381268987 8551640 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3=CC=CC=C3C(F)(F)F)C 1 4.033 1 3 -9.57938420325114 8551546 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC)C 1 3.386 1 5 -16.1384314261889 8551539 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCCC3=CC=CC=C3OC)C 1 3.402 1 4 -16.4339589256215 8551532 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCC3=CC=CS3)C 1 2.837 1 3 -15.510473461774 8548981 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=C4Cl)C 1 4.013 2 3 -5.63863278496768 8549018 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C 1 3.555 2 3 -5.53725023477472 8549007 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=C4F)C 1 3.555 2 3 -5.77331014025069 8548995 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C 1 4.013 2 3 -2.27029924488424 8548829 CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C5 1 2.498 5 3 0 -1.7976237110316 8546049 C1CN(CCN1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C4=CC=CC=N4 1 2.759 5 2 0 -7.75783923581652 8544561 C1CC1NC(=O)C2=CC=CC=C2NC(=O)CN3CCN(CC3)C/C=C/C4=CC=CC=C4 1 2.662 4 2 -7.19637397650796 8541701 CCN(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C 1 3.409 3 3 -18.7458068612468 8541283 CCN(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.466 3 3 -17.8656669258664 8541274 CCN(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.693 3 4 0 -20.1783181614842 8541265 CCN(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.923 3 3 -18.2201354400345 8541262 CCN(CC1=CC=CC=C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.923 3 3 -17.5193256185615 8538198 COC1=CC=CC(=C1OC)C(=O)OCCCOC(=O)C2=C(C(=CC=C2)OC)OC 1 3.186 0 8 0 -7.23554095403396 9845819 CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCO)/SSCC2CCCO2)/C.Cl Cl- 1 0.221 4 3 0 -9.27437106490268 9842653 CC1(C2=CC=CC=C2[N+](=C1/C=C/NC3=CC=CC=C3)C)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.057 2 0 5.07647984682904 9842429 CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)C)O)O 1 4.231 0 6 -2.67941026981664 9841020 CS(=O)(=O)O.C1CC2=C(C3=CC=CC=C31)NN=C2C4=CC=NC=C4 CS(=O)(=O)O 1 3.48 3 0 2.70508209103662 9840475 CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)F)NCCO 1 1.673 6 1 0 0.840914332512457 9840076 CN(C)CC1=CC=C(C=C1)C2=NC3=CC=CC4=C3N2CCNC4=O 1 2.576 4 1 -1.161226458996 9839820 C1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl Cl- 1 0.126 3 2 0 -11.156857797065 9837961 CC(C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 1 3.561 1 2 -6.3331396402517 9836789 COC(=O)C1=CC=C(C=C1)N/C=C/2\C(=NNC2=O)C3=CC=CC=C3 1 2.122 3 3 -11.5102006261284 9828429 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O 1 2.339 0 8 0 -19.9138783912505 9823932 CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCC(=O)OC 1 3.521 2 5 0 -6.11858633057989 9821539 C/C=C(/C)\C(=O)O[C@@H]1[C@@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C 1 3.502 0 7 0 -9.800727400559 9821220 C1CN(CCC1NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)F 1 2.186 2 3 -17.7451934890845 9818540 CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl Cl- 1 2.608 2 2 -4.28504743801541 9818069 COC1=CC=C(C=C1)CNC(=O)C2=CNC3=CC=CC=C3C2=O 1 1.948 2 3 0 -10.9654268733524 9815583 C(CSC(=N)N)N.Br Br- 1 -0.406 3 0 0 -1.41433433430139 9814367 C1=CC=C(C=C1)C(=O)C[N+]2=CSC=C2.[Br-] Br- 1 2.884 1 1 -1.20427474155615 9803362 COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC.O.Cl Cl- H2O 1 0.76 5 4 0 -13.0163751185557 9798778 CCOC(=O)C1=C(C(=O)C2=C(C=C(C=C2O1)O)O)OCC3=CC=CC=C3 1 2.609 0 7 0 -2.39008225760578 9798284 CNCC[C@H](C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl Cl- 1 4.033 1 1 3.06112239073133 9798098 CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CO)O)OCCCN(C)C)C.Cl Cl- 1 -1.169 1 6 0 -10.3396183024356 9794588 CC1=CC=CC(=N1)C#CC2=CC=CC=C2.Cl Cl- 1 3.499 1 0 3.26059822344321 9776910 CC1=CC(=C(C(=C1)OCC(=O)O/N=C(/C2=CC=NC=C2)\N)C)C 1 2.53 3 3 2.95648648040717 9717976 CC1=CC=C(C=C1)NC(=O)C/C(=N/OC(=O)NC2=CC(=C(C=C2)C)Cl)/N 1 3.233 4 3 0 1.99633424636725 9717975 CC1=CC=C(C=C1)NC(=O)C/C(=N/OC(=O)NC2=CC=CC(=C2)C)/N 1 2.568 4 3 0 3.01342183643865 9717974 CC1=CC=C(C=C1)NC(=O)C/C(=N/OC(=O)NC2=CC(=CC=C2)Cl)/N 1 2.746 4 3 0 4.33926414348613 9695221 C1C2CC3CC1CC(C2)(C3)C(=O)O/N=C(/C4=CC=NC=C4)\N 1 2.127 3 2 3.19296025385031 9693364 CC1=CC=CC(=C1)/C(=N/OC(=O)C2=CC(=C(C=C2OC)OC)OC)/N 1 2.823 2 5 0 -2.31749391639424 9693363 COC1=CC(=C(C=C1C(=O)O/N=C(/C2=CC=CC=C2)\N)OC)OC 1 2.337 2 5 0 -2.01340746467423 9693090 CC(=O)/C(=N/NC1=CC(=CC=C1)Cl)/N 1 1.567 3 1 0 2.90007967653652 9689721 CC1=CC=CC(=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.151 3 2 4.61017098855407e-002 9685282 C1=CC=C2C(=C1)C(OC2=O)N3C4=CC=CC=C4/C(=N/NC(=O)C5=CC=C(C=C5)O)/C3=O 1 3.185 3 5 0 -6.42760059059943 9680650 COC1=CC(=C(C=C1)/C(=N/O)/N)OC 1 0.866 2 3 0 1.5965380397175 9678654 C1=CC=C(C=C1)C2=CSC(=N2)N/N=C\3/C4=CC=CC=C4C(=N3)N 1 2.877 5 0 3.54838819781262 9676060 CCC1=C(C(=CC=C1)CC)NC(=O)CO/N=C(/CC(=O)NC2CCCCC2)\N 1 3.042 4 3 0 -7.98564485034288 9676023 C1=CC=C2C(=C1)C=C(C(=O)O2)/C(=N/NC(=O)C3=CC=C(C=C3)F)/N 1 2.161 3 3 -11.7528048548663 9675652 COC1=CC=CC(=C1)C(=O)O/N=C(/CS(=O)(=O)C2=CC=CC=C2)\N 1 1.748 2 5 0 -5.86126376959737 9670739 COC1=C(C=C(C=C1)CC(=O)O/N=C(/C2=CC=CC=C2)\N)OC 1 2.389 2 4 -3.26466834209702 9667151 C1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=C(C=C2)F)/NC3=CC(=C(C=C3)Cl)S(=O)(=O)NC4=CC=CC=C4Cl 1 5.402 3 4 0 -9.38782759481515 9666663 CC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC=CS2)/N 1 2.826 2 2 -7.65941546632694e-002 9665726 CC1=CC(=C(C(=C1)OCC(=O)O/N=C(/C2=CN=CC=C2)\N)C)C 1 2.53 3 3 0.111175049812874 9663473 CC1=CC(=CC=C1)N/N=C/2\C=NN=C2C3=CC=CO3 1 3.3 4 1 2.60448627378246 9661080 CC1=CC=C(C=C1)OCC(=O)O/N=C(/C2=CC=CC=N2)\N 1 1.986 3 3 0 0.583788907626547 9661079 CC1=CC=C(C=C1)OCC(=O)O/N=C(/C2=CN=CC=C2)\N 1 1.557 3 3 0 -0.780989754477564 9661056 CC1=CC(=C(C=C1)OC)NC(=O)CO/N=C(/CC(=O)NC2CCCCC2)\N 1 1.627 4 4 0 -8.77267859605299 9661055 CC1=CC(=C(C=C1)OC)NC(=O)CO/N=C(/CC(=O)NC2=CC=CC=C2OC)\N 1 1.329 4 5 0 -6.36104708804319 9661043 COC1=CC=CC=C1NC(=O)C/C(=N/O)/N 1 0.184 3 3 0 -3.56286518361191 9661024 CCC1=CC=CC(=C1NC(=O)CO/N=C(/CC(=O)NC2CCCCC2)\N)C 1 2.586 4 3 0 -9.1960013147304 9660935 C1=CC(=C(C=C1C/C(=N/OC(=O)C2=CC=C(O2)Br)/N)Cl)Cl 1 3.713 2 3 4.31806908253008 9660909 CCOC1=CC2=C(C=C1)N=C(N=C2C)N/C(=N/S(=O)(=O)C)/N 1 1.269 5 3 0 -5.37490807792076 9660839 CC1=CC=CN2C1=NC(=C(C2=O)/C=N/C(=O)OC)NCC3=CC=CC=C3 1 2.303 4 3 0 -10.7666622870529 9660821 C1=CSC(=C1)C(=O)N/N=C(/C2=CC3=C(C=CC(=C3)Cl)OC2=O)\N 1 2.574 3 3 -9.41188032278334 9660820 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)/C(=N/NC(=O)C3=CC=CS3)/N 1 2.769 4 3 0 -16.1612049384599 9660743 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O/N=C(/C3=CC=CC=N3)\N 1 2.43 3 3 -0.520569700038272 9660679 C1=CC=C(C(=C1)/C=C/C(=O)O/N=C(/C2=CN=CC=C2)\N)Cl 1 2.368 3 2 0.169834282141191 9660675 CC(C)C(=O)O/N=C(/C1=CC=CC=N1)\N 1 1.13 3 2 0 -2.79197688165614 9660660 CCCCCC1CCC(CC1)C2=CC=C(C=C2)/C(=N/O)/N 1 5.167 2 1 3.66285815298683 9660655 CC1=CC(=C(C=C1)C)OCC(=O)O/N=C(/C2=CC(=CC=C2)[N+](=O)[O-])\N 1 3.089 3 5 0 -1.1660902367088 9660641 C1=CC=C2C(=C1)C=CC=C2C(=O)O/N=C(/C3=CC=C(C=C3)Br)\N 1 4.043 2 2 6.01331464695769 9660627 CC1=NC(=NC2=CC=CC=C12)N/C(=N/C(=S)NC3=CC=C(C=C3)OC)/N 1 4.074 6 1 0 -1.55449538855037 9660614 COC1=CC(=C(C=C1)C(=O)O/N=C(/CC2=CC=C(C=C2)[N+](=O)[O-])\N)OC 1 2.283 3 6 0 2.09214153816943 9660600 C1=CC=C2C(=C1)C=CC=C2C/C(=N/OC(=O)C3=CC=CC=C3Br)/N 1 4.078 2 2 5.75024372629349 9660595 CC1=CC(=CC=C1)OCC(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 3.456 2 3 4.33622124739061 9660561 COC1=CC=CC=C1C(=O)O/N=C(/C2=CC=CC=N2)\N 1 1.648 3 3 0 7.77562163982775e-002 9658382 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CO/N=C(/C2=CC=CC=C2Cl)\N)C 1 2.54 4 4 0 -13.4678143018273 9657406 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N/N=C/3\C=CC(=O)C4=CC=CC=C34 1 4.104 3 3 -2.36243605452762 9657325 CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/NC3=CC=CC=C3OC 1 3.85 2 3 -12.6668927491933 9657242 CC1=CC=C(C=C1)N/N=C\2/C3=CC=CC=C3N(C2=O)CN4CCOCC4 1 3.03 4 2 -3.28459085228447 9655462 CON/C=N/C(=S)NC1=C(C=C(C=N1)C(F)(F)F)Cl 1 3.124 4 1 4.71664441468222 9655415 C1=CC=C(C=C1)S(=O)(=O)C/C(=N/OC(=O)C2=CC=C(C=C2)F)/N 1 1.97 2 4 0 -3.37361243648853 9653290 COC1=CC=C(C=C1)/C(=N/OC(=O)COC2=CC=C(C=C2)OC)/N 1 2.189 2 5 0 1.49447779020519 9653289 COC1=CC=CC(=C1)C(=O)O/N=C(/CC2=CC=C(C=C2)Cl)\N 1 3.069 2 3 3.11087491445818 9650187 CCCCN1C2=CC=CC=C2/C(=N/NC(=O)C3=C(N=C4N3C=CC=C4)C)/C1=O 1 2.75 5 2 0 -6.32640162006432 9649723 COC1=CC=C(C=C1)C(=O)N/N=C(/C2=CC3=CC=CC=C3OC2=O)\N 1 1.939 3 4 0 -12.8776480894757 9649400 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=C(C(=O)C3=CC=CC=C32)NS(=O)(=O)C4=CC=CC=C4 1 4.115 2 5 0 0.30939930084389 9647004 C1=CC=C(C=C1)OCC(=O)O/N=C(/C2=CC=CC=N2)\N 1 1.5 3 3 0 -7.28581013546597e-002 9645014 CCOC(=O)C1(/C(=N/NC2=CC=C(C=C2)S(=O)(=O)N)/C(=O)C(=O)N1C3=CC=CC=C3)C 1 1.875 4 6 0 -9.21940741977836 9644242 C1=CC=C2C(=C1)C=C(C(=O)O2)/C(=N/NC(=O)C3=CC(=CC=C3)F)/N 1 2.161 3 3 -11.737542993567 9643570 C1CCC(CC1)C(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 3.597 2 2 2.12146324006266 9643387 C1=CC=C2C(=C1)C=C(C(=O)O2)/C(=N/NC(=O)C3=CC=CC=C3Cl)/N 1 2.62 3 3 -12.8042132454804 9642965 C1COC2=C(O1)C=CC(=C2)N/N=C/3\C=CC(=O)C4=C3C=CC=N4 1 2.68 3 3 -3.49578354359317 9642863 CC\1=NN(C(=O)/C1=N/NC2=CC=CC=C2C(F)(F)F)C(=S)N 1 2.631 5 1 -4.72058217381618e-002 9640650 CC1=C/C(=N\NC(=O)C2=CC=CC=C2O)/C3=CC=CC=C3C1=O 1 3.056 2 3 1.10972312494253 9640387 COC1=CC=C(C=C1)/C(=N/OC(=O)C2CCCCC2)/N 1 2.832 2 3 1.41420103406818 9638344 C1=CC=C\2C(=C1)C=CC(=O)/C2=N\NC3=CC=CC=C3F 1 3.813 2 1 -1.61253703589589 9637967 C1=CC(=CC=C1/C(=N/OC(=O)COC2=CC=C(C=C2)Cl)/N)Cl 1 3.551 2 3 3.87471926113571 9637684 CC(C)(C)C(=O)O/N=C(/C1=CC=C(C=C1)Br)\N 1 3.017 2 2 0.637751829255421 9637624 C1=CC(=CN=C1)/C(=N/OC(=O)COC2=CC=C(C=C2)Cl)/N 1 1.736 3 3 0 1.04100893610925 9637093 CC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC3=C(C=C2)OCO3)/N 1 2.641 2 4 0.412869006725743 9636745 C1=CC=C(C=C1)N/N=C/2\C=NN=C2C3=CC=CO3 1 2.814 4 1 0.443382968355798 9636613 CC1=CC=C(C=C1)/C(=N/OC(=O)CC2=CC=C(C=C2)OC)/N 1 2.891 2 3 1.50781594490553 9636162 CC(=O)N/N=C(/C1=NON=C1N)\N 1 -1.713 6 2 0 -10.265590955314 9635038 CC\1=NN(C(=O)/C1=N/NC2=CC3=CC=CC=C3C=C2)C(=S)N 1 2.597 5 1 0.375701366804858 9634568 COC1=CC=C(C=C1)CC(=O)O/N=C(/C2=CC(=CC=C2)[N+](=O)[O-])\N 1 2.299 3 5 0 -3.06019622079481 9634363 CC1=CC(=CC(=C1)OCC(=O)O/N=C(/C2=CC=CC=C2Cl)\N)C 1 3.859 2 3 0.128923344928311 9634331 C1=CC=C(C=C1)CN2C=C(C=CC2=O)C(=O)O/N=C(/C3=CC=CC=N3)\N 1 1.26 4 3 0 -1.51137265778429 9633698 C1=CC=C2C(=C1)C(OC2=O)N3C4=CC=CC=C4/C(=N/NC(=S)N)/C3=O 1 2.544 4 3 0 -6.55952649098468 9632742 C1=CC(=C(C=C1Cl)Cl)C(=O)O/N=C(/CN2C=NC=N2)\N 1 1.533 5 2 0 -0.768257257982834 9632671 CC1=NC(=NC2=CC=CC=C12)N/C(=N/C(=O)NC3CCCCC3)/N 1 3.001 6 1 0 -4.38948263569086 9632149 CC1=NC(=NC2=C1C=C(C=C2)OC)N/C(=N/S(=O)(=O)C)/N 1 0.921 5 3 0 -4.27580540824839 9632003 CN1C2=CC=CC=C2/C(=N/NC(=O)C3COC4=CC=CC=C4O3)/C1=O 1 1.743 3 4 0 -2.38913787371704 9631300 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=C(C=C2)C)Cl)/C(=N/C3=NC(=CC(=N3)C)C)/N 1 4.879 5 2 0 -5.80563296858351 9630702 CC1=CC=C(C=C1)S(=O)(=O)/N=C(/C2=CC=C(C=C2)Cl)\N 1 2.748 2 2 0.323655437266232 9630540 COC1=CC=CC(=C1)C(=O)O/N=C(/CC2=CC=CC3=CC=CC=C32)\N 1 3.313 2 3 2.8528363004081 9630380 C1=CC=C(C=C1)N/N=C/2\C=NN=C2C3=CC=C(C=C3)Cl 1 4.083 4 0 1.90225776184848 9629403 C1=CC(=CC=C1SC/C(=N/NC(=O)C2=CC=NC=C2)/N)Cl 1 1.833 4 1 0 -1.94490300353271 9629255 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N/N=C\2/C3=CC=CC=C3N(C2=O)C 1 2.444 5 5 0 -9.47068164601178 9628548 C1=CC=C(C=C1)C(=O)N/N=C(/C2=CC3=CC=CC=C3OC2=O)\N 1 1.956 3 3 0 -13.4287424448533 9628343 C1=CC=NC(=C1)/C(=N/OC(=O)C2=CC(=CC=C2)F)/N 1 1.87 3 2 0 0.692783948916905 9627065 COC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC=C(O2)Br)/N 1 2.333 2 4 2.04848400089616 9626903 CC1=CC(=CC=C1)OCC(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.557 3 3 0 3.15616446525552 9626620 CCN1C2=CC=CC=C2/C(=N/NC(=S)NCC3CCCO3)/C1=O 1 2.226 4 2 -13.5933251002378 9625271 COC1=CC=CC=C1OCC(=O)O/N=C(/C2=CC=CC=N2)\N 1 1.483 3 4 0 -3.46822938270288 9624916 CC1=CC=C(C=C1)NC(=O)C/C(=N/OC(=O)C2=CC=CC=C2)/N 1 2.174 3 3 -0.610599805791646 9622579 CC1=CC=CC(=C1)C(=O)O/N=C(/CS(=O)(=O)C2=CC=CC=C2)\N 1 2.25 2 4 -4.79365768456932 9621471 C1=CC=NC(=C1)/C(=N/OS(=O)(=O)C2=CC=C(C=C2)Cl)/N 1 2.186 3 3 0.181483058956898 9620345 CO/N=C(/C1=NON=C1N)\N 1 -1.037 5 2 0 -6.29922160507086 9620329 C1=CC=C2C(=C1)C=CC=C2C(=O)O/N=C(/C3=CC=NC=C3)\N 1 2.144 3 2 4.83325786482259 9620295 C1=CC=NC(=C1)/C(=N/OC(=O)C2=CC(=CC=C2)Cl)/N 1 2.329 3 2 2.34116427977222 9620215 C1=CC=C(C=C1)NC(=O)O/N=C(/C2=CC(=CC=C2)C(F)(F)F)\N 1 3.237 3 2 5.50344114655522 9615484 CC\1=NN(C(=O)/C1=N/NC2=CC(=CC=C2)Cl)C(=S)N 1 2.353 5 1 1.0536269155299 9615265 CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)/C=C/C3=CC=CC=C3Cl 1 4.283 3 3 -8.68549846879453 9615270 CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC=CC=C3Cl)S2)CCOC 1 3.934 3 3 -6.55657578195302 9614758 CC\1=NN(C(=N)/C1=N/NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4 1 1.683 6 3 0 -19.4274218238448 9614736 CC\1=NC(=N)S/C1=N\NC2=CC=CC=C2C(F)(F)F 1 3.762 4 0 -0.456771271169683 9614654 CC\1=NC(=N)S/C1=N\NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC 1 2.531 4 4 0 -8.67447368199537 9614636 CC\1=NC(=N)S/C1=N\NC2=CC=C(C=C2)F 1 3.025 4 0 -1.50973437886599 9614523 C1=C(C=NC(=C1Cl)NC(=S)/N=C/NO)C(F)(F)F 1 3.085 4 1 5.42344649924293 9614470 CCOC1=CC\2=C(C=C1)N(C(=O)/C2=N\O)C 1 1.276 2 3 0 -7.04039227740706e-002 9614338 CN1C2=C(C=C(C=C2)OC)/C(=N/O)/C1=O 1 0.927 2 3 0 1.0286987468983 9613295 C1=CC(=C(C=C1Cl)Cl)C(=O)O/N=C(/C2=CC=NC=C2)\N 1 2.565 3 2 7.3838020938165 9609431 CC1=CC(=C(C(=C1)C)S(=O)(=O)/N=C/2\C=C(C(=O)C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)O)C 1 4.701 2 5 0 -0.585492929593793 9605396 C1=CC=C\2C(=C1)C=CC(=O)/C2=N\NC3=CC(=CC(=C3)C(=O)O)C(=O)O 1 2.867 2 5 0 -6.41400596919099 9605083 C1=CC=C\2C(=C1)C=C(C(=O)/C2=N\NC3=CC=C(C=C3)CC(=O)O)C(=O)O 1 2.862 2 5 0 -9.97065740431868 9605073 CN(C)C1=CC=C(C=C1)N/C(=N/C2=NC(=CC(=N2)C(F)(F)F)C(F)(F)F)/N 1 4.223 6 0 -3.0174221149899 9605072 CC1=CC=C(C=C1)N/C(=N/C2=NC(=CC(=N2)C(F)(F)F)C(F)(F)F)/N 1 4.547 5 0 -0.356135736377245 9604886 C1CC(=O)N(C1)C/C(=N/OC(=O)C2=CC=CC=C2Cl)/N 1 0.908 3 3 0 -9.54882087172516 9604033 COC1=CC(=O)/C(=N/NC2=CC3=CC=CC=C3C=C2)/C=C1 1 3.143 2 2 1.41776083392552 9603976 C1=CC=C2C(=C1)C=C/C(=N\NC3=CC=C(C=C3)F)/C2=O 1 3.813 2 1 2.04816700119466 9603961 CC1=CC=C(C=C1)N/N=C/2\C=CC3=CC=CC=C3C2=O 1 4.093 2 1 1.33628997572941 9603877 CC1=CC2=C(C=C1)N=C(N=C2C)N/C(=N/C(=O)NC3CCCCC3)/N 1 3.487 6 1 0 -2.99369606107663 9601177 C1=CC=C2C(=C1)N=C(O2)/N=C(\N)/NC(=O)C3=CC=C(C=C3)F 1 2.075 4 2 -0.707792197684252 9601081 CC\1=CC(=O)C=C/C1=N\C2=C(NC3=CC=CC=C3N2)NC4=C(C=C(C=C4)O)C 1 4.802 4 2 0.737054015048697 9601080 CCOC(=O)N/C(=N/C1=NC2=CC=CC=C2S1)/N 1 2.402 4 2 1.22147544611346 9601050 C1=CC(=CC=C1N/N=C/2\C=NN=C2N)Cl 1 1.682 5 0 0 0.80205982616203 9600790 CCC(=O)NC1=CC=C(C=C1)N/C(=N/C2=NC(=CC(=N2)C)C)/N 1 1.672 6 1 0 -6.54274314904112 9600740 COC1=C(C=C(C=C1)/C(=N/O)/N)O 1 0.641 2 3 0 4.87814660389612 9600644 C1=CC=C2C(=C1)C=CC=C2C(=O)O/N=C(/C3=CC=CC=N3)\N 1 2.573 3 2 3.18431209932001 9595214 CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)/C(=N/O)/N)C 1 2.491 3 3 -2.59634376753637 9595213 COC1=NC(=NC(=N1)N2CCOCC2)OC/C(=N/O)/N 1 -0.373 6 4 0 -1.94535742959126 9595212 CC1=C(C=C(C=C1)OCCN2C=C(C3=CC=CC=C32)/C(=N/O)/N)C 1 4.003 3 2 -1.87710132950625 9595211 CC1=CC=C(C=C1)[N+]2=NOC(=C2)/N=C(\[O-])/OC 1 2.607 3 3 -6.14943016456343 9595210 CCCC[N+]1=NOC(=C1)/N=C(\[O-])/OC 1 1.873 3 3 0 -4.25619459784788 9595162 CC1=CC(=C(C=C1)N/C(=N/C2=NC(=CC(=N2)N3CCCCC3)C)/N)C 1 3.573 6 0 -4.71465942556037 9595161 CC1=CC(=O)N=C(N1)/N=C(\N)/NC2=CC(=CC=C2)OC 1 0.511 5 2 0 -11.0221410829653 9595108 COC1=C(C=C(C=C1)C(=O)O/N=C(/C2=CC=NC=C2)\N)OC 1 1.203 3 4 0 -3.18692839158807 9595107 COC1=CC=CC(=C1)C(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.219 3 3 0 0.823243798613235 9595104 CC1=CC(=CC=C1)N/N=C/2\C(=NN=C2N)C3=CC=C(C=C3)Cl 1 3.92 5 0 4.23012190574852 9595081 COC1=CC=CC=C1C(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 3.035 2 3 4.36341850913739 9595080 CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC=C(C=C2)OCCC(C)C)C 1 2.802 5 1 -5.39664471504978 9594850 C1=CC=C\2C(=C1)C=CC(=O)/C2=N\NC3=CC=C(C=C3)S(=O)(=O)N 1 2.312 3 3 -7.36966574034364 9594627 COC1=CC2=C(C=C1)OC(=O)C(=C2)/C(=N/NC(=O)C3=CC=NC=C3)/N 1 0.789 4 4 0 -12.004004792237 9594348 C1=CC(=CC=C1CC(=O)O/N=C(/CC2=C(C=C(C=C2)Cl)Cl)\N)Cl 1 4.449 2 2 6.15884921325753 9594347 COC1=CC=C(C=C1)C/C(=N/OC(=O)CC2=CC=CC=C2)/N 1 2.44 2 3 1.70119089993286 9594345 C1=CSC(=C1)C(=O)O/N=C(/CC2=C(C=C(C=C2)Cl)Cl)\N 1 3.703 2 2 3.58689124081097 9593988 CC1=CC=C(C=C1)C(=O)O/N=C(/CC2=CC=CC3=CC=CC=C32)\N 1 3.816 2 2 4.95498351570633 9593780 CC1=CC2=C(C=C1)N=C(N=C2C)N/C(=N/S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])/N 1 2.894 6 4 0 -6.19538321602213 9593779 CC1=NC(=NC2=CC=CC=C12)N/C(=N/S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])/N 1 2.408 6 4 0 -7.59116979063636 9593725 CCN(C1=CC=CC=C1)/C(=N/C2=NC(=CC(=N2)C)C)/N 1 2.439 5 0 -4.40454399226031 9593552 CC1=CC=C(C=C1)/C(=N/OC(=O)C23CC4CC(C2)CC(C4)C3)/N 1 3.764 2 2 4.00767809050002 9593459 COC1=CC=C(C=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N 1 1.648 3 3 0 0.41234667199199 9593249 C/C(=C\CN1C2=CC=CC=C2/C(=N/O)/C1=O)/Cl 1 2.128 2 2 -0.494502466211511 9593248 C/C(=C\CN1C2=C(C=C(C=C2)Br)/C(=N/NC(=S)N)/C1=O)/Cl 1 3.02 4 1 -1.74403150435109 9593246 C/C(=C\CN1C2=CC=CC=C2/C(=N/NC(=S)N)/C1=O)/Cl 1 2.272 4 1 -3.30747858357492 9591425 CC1=CC=CC=C1N/N=C\2/C3=CC=CC=C3N(C2=O)C 1 3.222 3 1 -0.494427291575855 9591424 CN1C2=CC=CC=C2/C(=N/N=C(N)N)/C1=O 1 0.15 5 1 0 0.332593818162483 9591422 CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=N/NC(=O)C4=CC5=CC=CC=C5C=C4O)/C2=O 1 3.759 4 4 0 -2.48450090020127 9591414 CC1=CC=CC=C1N/N=C\2/C3=CC=CC=C3N(C2=O)CC=C 1 3.838 3 1 -6.18938147747506 9591396 C1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=N/NC(=O)C4=CC5=CC=CC=C5C=C4O)/C2=O 1 4.22 3 3 2.55720008608245 9589698 CC1=C\2C(=CC=C1)N(C(=O)/C2=N\NC(=S)N)C3C(C(C(C(O3)CO)O)O)O 1 -0.583 4 6 0 -15.541541306831 9587861 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)O/N=C(/C3=CC=CC=N3)\N 1 0.797 4 4 0 -4.59956746203393 9587859 C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)O/N=C(/C3=CC=NC=C3)\N 1 2.728 3 3 5.49400505611617 9587856 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)O/N=C(/C3=CC=C(C=C3)Br)\N 1 2.019 3 4 0 0.152174916310821 9587849 CN(CC(=O)O/N=C(/C1=CC=CC=N1)\N)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.962 4 4 0 -2.09261575913184 9587840 C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)O/N=C(/C3=CC=CC=N3)\N 1 3.156 3 3 3.84505929061359 9587839 C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)O/N=C(/C3=CN=CC=C3)\N 1 2.728 3 3 2.55129939899709 9587831 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)O/N=C(/C3=CC=C(C=C3)Cl)\N 1 1.935 3 4 0 1.60883466141226 9587828 CC1=CC=CC=C1/C(=N/OC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)/N 1 4.852 3 2 3.52977120119228 9587827 CCOC1=CC2=C(C=C1)N=C(N=C2C)N/C(=N/C(=S)NC3=CC=CC(=C3)C)/N 1 4.909 6 1 0 -0.169508243336021 9587820 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)O/N=C(/C3=CC(=C(C=C3)OC)OC)\N 1 1.983 3 7 0 -15.9430172540315 9587819 COC1=C(C=C(C=C1)/C(=N/OC(=O)C2CCCCC2)/N)OC 1 2.816 2 4 -4.28155009565979 9587815 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)O/N=C(/C3=CC(=CC=C3)[N+](=O)[O-])\N 1 1.911 4 7 0 -14.4733550294948 9587814 CC1=C(C(=CC=C1)C)NC(=S)/N=C(\N)/NC2=NC3=C(C=C(C=C3)OC)C(=N2)C 1 5.046 6 1 0 -2.57737789701808 9587810 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)O/N=C(/C3=CC=C(C=C3)OC)\N 1 2 3 6 0 -10.2472661243036 9587807 CC1=CC=CC=C1/C(=N/OC(=O)C2=CC=C(C=C2)F)/N 1 3.078 2 2 0.271439139904656 9587805 CC1=CC(=CC(=C1)NC(=S)/N=C(\N)/NC2=NC3=CC=CC=C3C(=N2)C)C 1 5.063 6 0 -1.71858977257011 9587799 CC1=CC(=CC=C1)NC(=S)/N=C(\N)/NC2=NC3=C(C=CC(=C3)C)C(=N2)C 1 5.063 6 0 1.46592052388819 9587797 COC1=C(C=C(C=C1)/C(=N/OC(=O)CCC2CCCC2)/N)OC 1 3.061 2 4 -6.08221712990248 9587796 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)O/N=C(/C3=CC=C(C=C3)[N+](=O)[O-])\N 1 1.911 4 7 0 -11.9997406511517 9587795 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)O/N=C(/C3=CC=CC=C3)\N 1 2.016 3 5 0 -10.7009904313038 9587735 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N/C(=N/C3=NC(=CC(=N3)C)C)/N)C.Cl Cl- 1 1.68 8 2 0 -9.4217949499001 9587750 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)O/N=C(/C2=CN=CC=C2)\N 1 0.691 4 4 0 -5.62930312936323 9587752 CC(C(=O)O/N=C(/C1=CC(=C(C=C1)OC)OC)\N)OC2=CC=C(C=C2)OC 1 2.657 2 6 0 -7.54902463945508 9587783 C1=CN=CC=C1/C(=N/OC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl)/N 1 3.064 3 3 1.31678924517885 9587782 COC1=C(C=C(C=C1)/C(=N/OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)/N)OC 1 1.807 3 6 0 -9.48814730825886 9587779 C1=CC(=CN=C1)/C(=N/OC(=O)C2=C(C=CC(=C2)Br)Cl)/N 1 2.649 3 2 2.07251657207787 9587778 CC1=CC=CC(=C1)/C(=N/OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)/N 1 2.326 3 4 0 -4.50776325955429 9587777 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)O/N=C(/C3=CC=C(C=C3)Cl)\N 1 2.504 3 4 0 -1.62847422743497 9587775 C1=CC=NC(=C1)/C(=N/OC(=O)C2=C(C=CC(=C2)Br)Cl)/N 1 3.077 3 2 3.43729523418198 9587772 C1=CC=NC(=C1)/C(=N/OC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl)/N 1 3.493 3 3 -0.163743523311328 9587768 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)O/N=C(/C3=CC=C(C=C3)Br)\N 1 2.588 3 4 0 -3.08513397253641 9587761 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)O/N=C(/C3=CC=CC=N3)\N 1 1.118 4 4 0 -5.91413652017409 9587731 CC1=CC(=C(C=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N)C 1 2.637 3 2 3.62750328575775 9587730 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)O/N=C(/C2=CC=CC=N2)\N 1 1.119 4 4 0 -4.26452446725912 9587724 CC1=CC=C(C=C1)/C(=N/OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C)/N 1 2.328 3 4 0 -2.79559280433678 9587723 CCC1=CC=C(C=C1)NC(=S)/N=C(\N)/NC2=NC3=C(C=C(C=C3)CC)C(=N2)C 1 5.975 6 0 0.494794366629318 9587715 COC1=CC(=C(C=C1C(=O)O/N=C(/C2=CC=CC=N2)\N)OC)OC 1 1.615 3 5 0 -3.51301050230478 9587683 CC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC(=C(C=C2OC)OC)OC)/N 1 2.823 2 5 0 -1.21775989716489 9587679 COC1=CC=CC(=C1OC)C(=O)O/N=C(/C2=CC=C(C=C2)[N+](=O)[O-])\N 1 2.248 3 6 0 -1.15489207174764 9587671 CCOC1=C(C=C(C=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N)OCC 1 2.329 3 4 0 -6.19559167029046 9587662 C1CCC(C1)CCC(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 3.759 2 2 1.77745595092141 9587660 CC1=CC=C(C=C1)/C(=N/OC(=O)CCC2CCCC2)/N 1 3.58 2 2 -4.45427396654112e-002 9587658 C1CCC(C1)CCC(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.944 3 2 0 -0.859260576315124 9587654 CCOC1=C(C=C(C=C1)C(=O)O/N=C(/C2=CC=C(C=C2)[N+](=O)[O-])\N)OCC 1 2.946 3 6 0 -5.5455268545094 9587649 C1CCC(C1)CCC(=O)O/N=C(/C2=CC=CC=C2)\N 1 3.094 2 2 -0.840190307174758 9587648 C1CCC(C1)CCC(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 3.843 2 2 0.320796205819969 9587647 C1CCC(C1)CCC(=O)O/N=C(/C2=CN=CC=C2)\N 1 1.944 3 2 0 -3.70457200690942 9587631 COC1=C(C=C(C=C1)Cl)C(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 3.699 2 3 4.43569577549295 9587623 COC1=C(C=C(C=C1)Cl)C(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.884 3 3 0 3.78829351140012 9587622 CC1=NC(=NC2=C1C=C(C=C2)OC)N/C(=N/C(=S)NC3=CC=CC=C3)/N 1 4.074 6 1 0 -0.786570766810688 9587615 CC1=C(C(=O)N=C(N1)/N=C(\N)/NC2=CC=C(C=C2)OC)CC3=CC=CC=C3 1 2.445 5 2 0 -11.3633928416398 9587607 CCOC1=CC=C(C=C1)S(=O)(=O)/N=C(/C2=CC=CC=C2)\N 1 1.93 2 3 0 -3.4731801816821 9587601 CC1=CC(=CC=C1)N/C(=N/C2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3)/N 1 3.594 5 1 -9.34847190002515 9587592 C1=CC=C(C=C1)OCCCC(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.069 3 3 -3.56601233969068 9587589 CC1=CC=C(C=C1)CC(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.185 3 2 -0.445511399725271 9587588 CCC(C(=O)O/N=C(/C1=CC(=C(C=C1)OC)OC)\N)OC2=CC=CC=C2 1 3.197 2 5 0 -7.13854854493477 9587585 CC1=CC=C(C=C1)CC(=O)O/N=C(/C2=CC(=C(C=C2)OC)OC)\N 1 2.875 2 4 -4.18793518482244 9587582 C1=CC=C(C=C1)/C(=N/OC(=O)CCCOC2=CC=CC=C2)/N 1 2.791 2 3 -2.19102776709597 9587575 C1=CC=NC(=C1)/C(=N/OC(=O)C2=C(C=CC(=C2)Cl)Cl)/N 1 2.993 3 2 3.4407893050466 9587570 C1=CC=C(C=C1)SCC(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.058 3 2 -1.17237781906535 9587569 CC1=CC=C(C=C1)CC(=O)O/N=C(/C2=CC(=CC=C2)[N+](=O)[O-])\N 1 2.802 3 4 0 -2.71827296028572 9587565 C1=CC(=C(C=C1Cl)C(=O)O/N=C(/C2=CC=NC=C2)\N)Cl 1 2.565 3 2 4.92132207353678 9587550 C1=CC=C2C(=C1)C=CC=C2C(=O)O/N=C(/C3=CN=CC=C3)\N 1 2.144 3 2 1.89055220770352 9587549 C1=CC=C(C=C1)/C(=N/OC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)/N 1 4.366 3 2 6.2240820568845 9587548 CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O/N=C(/C2=CN=CC=C2)\N 1 1.628 4 4 0 -4.96469226022823 9587542 CCC1=CC(=C(C=C1)OCC(=O)O/N=C(/C2=CC=NC=C2)\N)Br 1 2.762 3 3 2.55122366333409 9587540 CC1=CC=CC(=C1)/C(=N/OC(=O)C2=CC=CC3=CC=CC=C32)/N 1 3.781 2 2 4.26431245228517 9587534 CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.056 4 4 0 -3.59991359812412 9587530 COC1=C(C=C(C=C1)C(=O)O/N=C(/CC2=CC(=C(C=C2)Cl)Cl)\N)OC 1 3.717 2 4 -0.851207816775952 9587524 C1COCCN1C(=O)O/N=C(/C2=CC=CC=C2)\N 1 0.612 3 3 0 -0.443536843182675 9587519 C1=CC=C(C=C1)CC(=O)O/N=C(/C2=CC=CC=C2Cl)\N 1 3.086 2 2 -1.63563151511171 9587517 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)O/N=C(/C4=CC=C(C=C4)Br)\N 1 5.114 3 2 7.55348156689163 9587512 C1CCC(CC1)CC(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 3.843 2 2 0.251164238624725 9587511 C1OC2=C(O1)C=C(C=C2)C(=O)O/N=C(/C3=CC=C(C=C3)Cl)\N 1 2.819 2 4 2.23486769731256 9587509 CC1=CC=CC(=C1)/C(=N/OC(=O)C2=CC=CC=C2Cl)/N 1 3.537 2 2 2.79569192013679 9587504 C1=CC(=CN=C1)C(=O)O/N=C(/C2=C(C=C(C=C2)Cl)Cl)\N 1 2.565 3 2 2.44910874307414 9587501 CC1=CC=CC(=C1)/C(=N/OC(=O)C2=CN=CC=C2)/N 1 1.722 3 2 0 0.259995636817491 9587500 C1=CC=C(C(=C1)C(=O)O/N=C(/CC2=C(C=C(C=C2)Cl)Cl)\N)F 1 3.956 2 2 6.90505912584052 9587499 C1=CC=C(C=C1)CCC(=O)O/N=C(/C2=CC=CC=C2Cl)\N 1 3.542 2 2 -1.98306622589772 9587497 C1COCCN1C(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 1.36 3 3 0 0.717449669812052 9587494 CC1=CC=CC(=C1)/C(=N/OC(=O)C2=CC3=C(C=C2)OCO3)/N 1 2.641 2 4 -0.869255831761238 9587493 COC1=C(C=C(C=C1)/C(=N/OC(=O)CC2CCCCC2)/N)OC 1 3.061 2 4 -6.15184909709772 9587491 COC1=C(C=C(C=C1)/C(=N/OC(=O)C2=CC3=C(C=C2)OCO3)/N)OC 1 2.122 2 6 0 -5.76464328773296 9587489 C1OC2=C(O1)C=C(C=C2)C(=O)O/N=C(/CC3=CC=CC4=CC=CC=C43)\N 1 3.098 2 4 1.86911998679269 9587488 CC1=CC=C(C=C1)/C(=N/OC(=O)N2CCOCC2)/N 1 1.098 3 3 0 0.352110724326672 9587485 C1OC2=C(O1)C=C(C=C2)C(=O)O/N=C(/C3=CC=C(C=C3)Br)\N 1 2.903 2 4 0.778207952211124 9587484 CC1=CC=C(C=C1)/C(=N/OC(=O)CC2=CC=CC3=CC=CC=C32)/N 1 3.816 2 2 3.71561496055236 9587483 COC1=C(C=C(C=C1)/C(=N/OC(=O)CCC2=CC=CC=C2)/N)OC 1 2.845 2 4 -5.35018480038805 9587476 CC1=CC=CC(=C1)/C(=N/OC(=O)CC2=CC=CC3=CC=CC=C32)/N 1 3.816 2 2 2.33195171136523 9587475 C1=CC=C(C=C1)CC(=O)O/N=C(/CC2=C(C=C(C=C2)Cl)Cl)\N 1 3.785 2 2 5.51134988103481 9587474 CC1=C(C=CC(=C1)C(=O)O/N=C(/C2=CC(=C(C=C2)OC)OC)\N)[N+](=O)[O-] 1 2.734 3 6 0 -7.93478372396894 9587473 CC(C)(C)CC(=O)O/N=C(/C1=CC=CC=N1)\N 1 1.581 3 2 0 -2.87094054673083 9587471 C1=CC=C2C(=C1)C=CC=C2C/C(=N/OC(=O)C3=CC=CC=C3F)/N 1 3.535 2 2 4.97862371141922 9587470 C1OC2=C(O1)C=C(C=C2)C(=O)O/N=C(/C3=CC=NC=C3)\N 1 1.004 3 4 0 -0.584239649181594 9587469 CC1=CC(=C(C(=C1)OCC(=O)O/N=C(/CC2=CC=CC=C2OC)\N)C)C 1 3.699 2 4 2.67230197890451 9587468 CC1=CC=CC(=C1)/C(=N/OC(=O)N2CCOCC2)/N 1 1.098 3 3 0 -0.607785390681046 9587458 C1=CC=NC(=C1)/C(=N/OC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)/N 1 3.398 3 3 -1.2394582208807 9587452 COC1=CC=C(C=C1)CC(=O)O/N=C(/CC2=CC(=C(C=C2)OC)OC)\N 1 2.407 2 5 0 -2.39923816065446 9587451 C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O/N=C(/C2=CC=NC=C2)\N 1 2.969 3 3 0.241074547609485 9587447 C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O/N=C(/C3=CN=CC=C3)\N 1 2.789 3 2 1.25521211364353 9587443 CC(C)(C(=O)O/N=C(/C1=CC=NC=C1)\N)OC2=CC=C(C=C2)Cl 1 2.532 3 3 4.31397091700977 9587439 C1=CC(=C(C=C1Cl)Cl)C/C(=N/OC(=O)C2=CC=C(O2)Br)/N 1 3.713 2 3 6.0538926568795 9587437 C1=CC=NC(=C1)/C(=N/OC(=O)C2=CC=C(O2)Br)/N 1 1.628 3 3 0 9.51566562653609e-002 9587431 CC1=C(C(=CC=C1)OCC(=O)O/N=C(/CC2=CC=CC=C2OC)\N)C 1 3.213 2 4 3.63936030941022 9587426 C1=CC(=CN=C1)/C(=N/OC(=O)C2=CC=C(O2)Br)/N 1 1.199 3 3 0 -1.26962200583875 9587420 COC1=C(C=C(C=C1)C(=O)O/N=C(/C2=CC(=C(C=C2)OC)OC)\N)[N+](=O)[O-] 1 2.232 3 7 0 -7.95518259288446 9587411 C1=CC=C(C=C1)C(CC(=O)O/N=C(/C2=CN=CC=C2)\N)C3=CC=CC=C3 1 3.011 3 2 -4.79895041612691 9587405 C1=CC=C2C(=C1)C=CC=C2C/C(=N/OC(=O)C3=CC=C(O3)Br)/N 1 3.293 2 3 4.2958702394706 9587402 COC1=C(C=C(C=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N)[N+](=O)[O-] 1 1.542 4 5 0 -5.2150494151955 9587374 C1=CSC(=C1)C(=O)O/N=C(/CC2=CC(=C(C=C2)Cl)Cl)\N 1 3.703 2 2 1.85106766646155 9587369 CC1=CC=CC(=C1)/C(=N/OC(=O)C2=CC=C(C=C2)F)/N 1 3.078 2 2 3.06832262683929 9587367 CC1=CC=CC(=C1)/C(=N/OC(=O)C2=CC=C(O2)Br)/N 1 2.836 2 3 1.43051114639754 9587366 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)O/N=C(/C2=CC=C(C=C2)[N+](=O)[O-])\N 1 3.278 3 7 0 -5.28230116967073 9587357 COC1=CC=C(C=C1)/C(=N/OC(=O)CC2=CC=CC=C2[N+](=O)[O-])/N 1 2.299 3 5 0 -1.91613432471548 9587336 CC1=CC(=O)N=C(N1)/N=C(\N)/NC2=C(C=CC(=C2)Cl)OC 1 1.175 5 2 0 -10.5381858128291 9587255 CC1=C(C(=CC=C1)C)NC(=O)C/C(=N/O)/N 1 1.173 3 2 0 -2.25067751733731 9587245 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O/N=C(/C4=CN=CC=C4)\N 1 3.369 4 2 -1.4895486193404 9587244 COC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)/N 1 4.503 3 3 1.92595161391929 9587238 C1=CC=C2C(=C1)C=CC=C2C/C(=N/OC(=O)CC3=CC=CS3)/N 1 3.318 2 2 2.17436093275463 9587237 C1=CC=C(C=C1)/C(=N/OC(=O)CC2=CC=CS2)/N 1 2.375 2 2 -1.33968979774561 9587235 COC1=CC=CC=C1CC(=O)O/N=C(/CC2=CC=CC3=CC=CC=C32)\N 1 3.348 2 3 2.96283532124379 9587234 COC1=CC=C(C=C1)/C(=N/OC(=O)CC2=CC=CC=C2OC)/N 1 2.389 2 4 0.292175840204351 9587233 CC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)/N 1 5.006 3 2 2.26787487442839 9587232 C1CCC(CC1)CCC(=O)O/N=C(/C2=CN=CC=C2)\N 1 2.4 3 2 -4.0590405210775 9587223 COC1=C(C=C(C=C1)/C(=N/OC(=O)CC2=CC=CS2)/N)OC 1 2.342 2 4 -6.48432239394855 9587222 COC1=C(C=C(C=C1)/C(=N/OC(=O)OC2=CC=CC=C2)/N)OC 1 2.909 2 5 0 -3.93383271931874 9587219 CC1=CC=CC(=C1)/C(=N/OC(=O)CC2=CC=CS2)/N 1 2.861 2 2 -1.50393834524398 9587212 CC1=CC=C(C=C1)/C(=N/OC(=O)CCC2CCCCC2)/N 1 4.037 2 2 -0.399011253833491 9587202 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O/N=C(/C4=CC=CC=N4)\N 1 3.798 4 2 -0.195788727723909 9587201 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O/N=C(/C4=CC=NC=C4)\N 1 3.369 4 2 1.45315703777867 9587198 C1CCC(CC1)CCC(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.828 3 2 -2.69426185897338 9587194 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O/N=C(/C4=CC=C(C=C4)Cl)\N 1 5.184 3 2 4.08987356501521 9587193 C1=CSC(=C1)CC(=O)O/N=C(/CC2=C(C=C(C=C2)Cl)Cl)\N 1 3.738 2 2 4.0297775766883 9587184 CC1=CC=CC(=C1)/C(=N/OC(=O)CCC2CCCCC2)/N 1 4.037 2 2 -1.35890736884121 9587165 COC1=CC=CC=C1CC(=O)O/N=C(/C2=CC(=CC=C2)[N+](=O)[O-])\N 1 2.299 3 5 0 -4.12903719178607 9587156 COC1=CC=CC(=C1)C(=O)O/N=C(/C2=CC=C(C=C2)[N+](=O)[O-])\N 1 2.264 3 5 0 -0.456436152094285 9587153 CC1=CC=CC(=C1)/C(=N/OC(=O)C2=CC=NC=C2)/N 1 1.722 3 2 0 1.54172776472433 9587150 C1=CC=C2C=C(C=CC2=C1)C(=O)O/N=C(/C3=CC=CC=C3Cl)\N 1 3.959 2 2 2.29337757961733 9587146 CC1=CC=CC(=C1)/C(=N/OC(=O)C2=C(OC=C2)C)/N 1 2.122 2 3 2.3917738021594 9587140 CC1=CC(=CC=C1)N/C(=N/C2=NC(=O)C=C(N2)C)/N 1 1.66 5 1 0 -9.2665313095135 9587130 CC1=C(C=C(C=C1)OCC(=O)O/N=C(/CC2=CC=CS2)\N)C 1 3.182 2 3 -0.588769255933264 9587122 CC1=C(C=C(C=C1)OCC(=O)O/N=C(/C2=CC(=CC=C2)[N+](=O)[O-])\N)C 1 3.089 3 5 0 -2.01472254232125 9587121 CC1=C(C=C(C=C1)OCC(=O)O/N=C(/CC2=CC=C(C=C2)[N+](=O)[O-])\N)C 1 3.123 3 5 0 0.516465507592697 9587112 CC1=C(C=C(C=C1)OCC(=O)O/N=C(/C2=CC=NC=C2)\N)C 1 2.044 3 3 1.87840969095102 9587091 CC1=C(C=C(C=C1)OCC(=O)O/N=C(/C2=CC=CC=N2)\N)C 1 2.472 3 3 0.39787692246084 9587083 CC1=CC=CC(=C1)/C(=N/OC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)/N 1 4.852 3 2 6.13085227987376 9587082 COC1=CC=CC=C1C(=O)O/N=C(/C2=CC=CC=C2Cl)\N 1 3.035 2 3 0.633214947776503 9587080 COC1=CC=C(C=C1)CC(=O)O/N=C(/CC2=CC=CC3=CC=CC=C32)\N 1 3.348 2 3 4.22621910789642 9587073 C1CCC(CC1)CC(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.372 3 2 -2.40942531200055 9587071 CC1=C(C=C(C=C1)OC2=CC=C(C=C2)/C(=N/O)/N)C 1 3.432 2 2 6.19105606853562 9587070 CC1=CC=C(C=C1)/C(=N/OC(=O)CC2=CC=CC=C2)/N 1 2.907 2 2 1.03492430063503 9587068 CCC1=CC=C(C=C1)OCC(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.442 3 3 0.344350771847463 9587066 COC1=CC(=CC(=C1OC)OC)C(=O)O/N=C(/C2=CC(=CC=C2)[N+](=O)[O-])\N 1 2.232 3 7 0 -5.28712495273022 9587065 COC1=CC=C(C=C1)C/C(=N/OC(=O)CC2=CC=C(C=C2)OC)/N 1 2.423 2 4 1.40815943788461 9587063 C1=CC(=CN=C1)/C(=N/OC(=O)C2=CC(=C(C=C2)Cl)Cl)/N 1 2.565 3 2 0.142951987383936 9587060 C1=CC=C(C=C1)CC(=O)O/N=C(/C2=CN=CC=C2)\N 1 1.271 3 2 0 -2.72249919313376 9587059 COC1=CC=C(C=C1)/C(=N/OC(=O)CC2=CC=CC=C2)/N 1 2.405 2 3 0.693001040125932 9587056 CC1=CC(=C(C=C1)C)OCC(=O)O/N=C(/C2=CN=CC=C2)\N 1 2.044 3 3 -0.118269434030823 9587054 C1CCC(CC1)CC(=O)O/N=C(/C2=CN=CC=C2)\N 1 1.944 3 2 0 -3.77420397410466 9587051 CC1=C(C=CC(=C1)C(=O)O/N=C(/C2=CC=NC=C2)\N)[N+](=O)[O-] 1 1.617 4 4 0 -2.75438008541757 9587044 COC1=CC=C(C=C1)/C(=N/OC(=O)CC2CCCCC2)/N 1 3.078 2 3 -0.456097967369749 9587043 CCC1=CC=C(C=C1)OCC(=O)O/N=C(/C2=CN=CC=C2)\N 1 2.014 3 3 -1.02042789025665 9587042 C1CCC(CC1)CC(=O)O/N=C(/C2=CC=CC=C2)\N 1 3.094 2 2 -0.909822274370002 9587033 CC1=CC=CC(=C1)/C(=N/OC(=O)C2=CC(=CC(=C2)OC)OC)/N 1 2.84 2 4 -0.569194422609349 9587030 C1CCC(CC1)CC(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.944 3 2 0 -0.928892543510368 9587023 C1CCC(CC1)CC(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 3.759 2 2 1.70782398372616 9587020 C1=CC=NC(=C1)/C(=N/OC(=O)C2=CC(=C(C=C2)Cl)Cl)/N 1 2.993 3 2 1.24090947074727 9586808 C1=CC=C(C=C1)CCCC(=O)O/N=C(/C2=CN=CC=C2)\N 1 2.183 3 2 -4.49063608680496 9586807 CC1=CC=CC(=C1)/C(=N/OC(=O)CCCC2=CC=CC=C2)/N 1 3.82 2 2 -1.79050293456867 9586806 COC1=C(C=C(C=C1)/C(=N/OC(=O)CCCC2=CC=CC=C2)/N)OC 1 3.301 2 4 -6.77088698327324 9586805 CC1=CC=C(C=C1)/C(=N/OC(=O)CCCC2=CC=CC=C2)/N 1 3.82 2 2 -0.733212593036172 9586804 C1=CC(=C(C=C1Br)Cl)OCC(=O)O/N=C(/C2=CC=NC=C2)\N 1 2.484 3 3 3.81737056653517 9586802 C1=CC=C(C=C1)CCCC(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.612 3 2 -3.19687619518847 9586799 COC1=CC=C(C=C1)/C(=N/OC(=O)CCCC2=CC=CC=C2)/N 1 3.317 2 3 -1.07513585354527 9586798 CC1=CC(=C(C=C1)C(=O)O/N=C(/CC2=CC=CS2)\N)Cl 1 3.525 2 2 5.05481118488804 9586793 C1=CC=C(C=C1)CCCC(=O)O/N=C(/C2=CC=CC=C2Cl)\N 1 3.998 2 2 -3.40376840878291 9586767 CC1=CC(=C(C=C1)OC)N/C(=N/C2=NC(=CC(=N2)C)C)/N 1 2.354 5 1 -4.46147446588911 9586762 CC1=CC(=NC(=N1)/N=C(\N)/NC2=C(C=CC(=C2)Cl)OC)C 1 1.886 5 1 0 -2.25813057931903 9586747 CC1=CC=CC=C1C(=O)O/N=C(/CC2=CC=CS2)\N 1 2.861 2 2 -1.57917033888954 9586746 CC1=CC=CC(=C1)/C(=N/OC(=O)C2=CC(=C(C=C2)OC)OC)/N 1 2.84 2 4 -3.47194457416771 9586744 C1=CC=C2C=C(C=CC2=C1)C(=O)O/N=C(/C3=CC=C(C=C3)Br)\N 1 4.043 2 2 5.77848433884785 9586738 CC1=CC=CC(=C1)/C(=N/OC(=O)COC2=CC=CC=C2Cl)/N 1 3.372 2 3 1.24161217704581 9586734 CC1=CC=CC=C1C(=O)O/N=C(/C2=CC=C(C=C2)[N+](=O)[O-])\N 1 2.767 3 4 0 -0.294277116187993 9586733 C1=CC=C2C=C(C=CC2=C1)C(=O)O/N=C(/C3=CC=NC=C3)\N 1 2.144 3 2 4.41603673745513 9586722 CC1=CC=C(C=C1)/C(=N/OC(=O)COC2=CC(=C(C=C2)Cl)C)/N 1 3.859 2 3 3.6620897108234 9586720 C1=CC(=CN=C1)/C(=N/OC(=O)COC2=C(C=C(C=C2)Cl)Cl)/N 1 2.4 3 3 0.627356331469089 9586719 CC1=CC=CC(=C1)/C(=N/OC(=O)COC2=CC(=C(C=C2)Cl)C)/N 1 3.859 2 3 2.56235569159405 9586717 COC1=CC=C(C=C1)OCC(=O)O/N=C(/C2=CC(=C(C=C2)OC)OC)\N 1 2.173 2 6 0 -3.61914775753994 9586716 COC1=C(C=C(C=C1)C(=O)O/N=C(/CC2=C(C=C(C=C2)Cl)Cl)\N)OC 1 3.717 2 4 0.884615757573465 9586715 CC1=C(C=CC(=C1)OCC(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N)Cl 1 4.037 2 3 4.85625599422555 9586712 C1=CC=C2C=C(C=CC2=C1)C(=O)O/N=C(/C3=CN=CC=C3)\N 1 2.144 3 2 1.47333108033606 9586711 CC1=C(C=CC(=C1)OCC(=O)O/N=C(/C2=CC=CC=C2)\N)Cl 1 3.372 2 3 3.05473873764786 9586709 CC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC3=CC=CC=C3C=C2)/N 1 3.781 2 2 5.41314539336247 9586707 COC1=CC=C(C=C1)/C(=N/OC(=O)COC2=CC=CC=C2Cl)/N 1 2.87 2 4 1.95697925806922 9586704 COC1=C(C=C(C=C1)C(=O)O/N=C(/CC2=CC=CS2)\N)OC 1 2.342 2 4 -5.92092851721313 9586702 CC1=CC=CC(=C1)/C(=N/OC(=O)C23CC4CC(C2)CC(C4)C3)/N 1 3.764 2 2 3.0477819754923 9586681 CC1=NC(=NO1)/C(=N/OC(=O)CC2=CC=CC=C2)/N 1 0.554 4 3 0 -2.95779881733751 9586680 CC1=CC(=NC(=N1)/N=C(\N)/N(C2=C(C=CC(=C2)OC)OC)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C 1 1.683 6 5 0 -9.7938992929726 9586667 CC1=CC(=NC(=N1)N/C(=N/S(=O)(=O)C2=CC=C(C=C2)F)/NC3=CC=CC=C3OC)C 1 3.431 5 3 0 -10.9665888212201 9586650 COC1=C(C=C(C=C1)C/C(=N/OC(=O)CC2=CC=CC=C2)/N)OC 1 2.423 2 4 -2.68833228058907 9586642 CC1=CC=C(C=C1)S(=O)(=O)/N=C(\N)/NC2=NC3=C(C=CC(=C3)OC)C(=N2)C 1 2.337 5 3 0 -5.45948367562147 9586625 COC1=CC(=CC(=C1OC)OC)C(=O)O/N=C(/C2=CC=CC=N2)\N 1 1.615 3 5 0 -3.14134666668891 9586612 CC1=CC(=C2C(=C1)C(=NC(=N2)N/C(=N/C(=O)NC3=CC=CC=C3)/N)C)C 1 3.691 6 1 0 -1.90153019207031 9586576 C1=CC(=CC(=C1)Br)C(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 3.883 2 2 2.40526621917234 9586575 C1=CC=C(C=C1)C(=O)O/N=C(/C2=CN=CC=C2)\N 1 1.236 3 2 0 -0.791978438298715 9586573 CC1=NC(=NC2=C1C=C(C=C2)OC)N/C(=N/C(=O)NC3=CC=CC=C3)/N 1 2.702 6 2 0 -0.902674379274764 9586568 CC1=CC=CC(=C1)/C(=N/OC(=O)C2=CC=CS2)/N 1 2.826 2 2 -1.13388449619577 9586555 COC1=C(C=C(C=C1)CC(=O)O/N=C(/CC2=CC=CC3=CC=CC=C32)\N)OC 1 3.332 2 4 0.249382388403221 9586553 C1CCC(CC1)C(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.698 3 2 0 0.941406457927563 9586546 C1CCC(CC1)C(=O)O/N=C(/C2=CN=CC=C2)\N 1 1.698 3 2 0 -1.90390497266673 9586495 C1CCC(CC1)C(=O)O/N=C(/CC2=CC=C(C=C2)Cl)\N 1 3.548 2 2 3.49585875251329 9586446 COC1=C(C=C(C=C1)C/C(=N/OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)/N)OC 1 3.918 2 4 -5.72320976872552 9586434 C1CCC(CC1)C(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 3.513 2 2 3.57812298516409 9586411 C1CCC(CC1)C(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.126 3 2 -0.539126310562618 9586376 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O/N=C(/C3=CN=CC=C3)\N 1 2.001 3 3 -1.81432959165476 9586364 C1=CC=C(C=C1)S(=O)(=O)O/N=C(/C2=CN=CC=C2)\N 1 1.093 3 3 0 -3.99869815949497 9586359 C1=CC=C(C=C1)S(=O)(=O)O/N=C(/C2=CC=CC=N2)\N 1 1.522 3 3 0 -2.70493826787848 9586354 CCCOC1=CC=CC=C1N/C(=N/C2=NC(=CC(=N2)C)C)/N 1 2.741 5 1 -4.72627360018573 9586346 C1=CC(=CN=C1)/C(=N/OS(=O)(=O)C2=CC=C(C=C2)Cl)/N 1 1.757 3 3 0 -1.18329560314721 9586337 C1=CC(=CN=C1)/C(=N/OC(=O)COC2=CC=C(C=C2)Br)/N 1 1.82 3 3 0 -0.415650808992184 9586332 CC1=C(C=CC(=C1)OCC(=O)O/N=C(/CC2=CC=CS2)\N)Br 1 3.445 2 3 -0.192736496648426 9586328 CC1=CC=CC=C1OCC(=O)O/N=C(/CC2=CC=C(C=C2)OC)\N 1 2.726 2 4 2.53170927915034 9586326 C1=CC=C(C=C1)OCC(=O)O/N=C(/CC2=CC=CC3=CC=CC=C32)\N 1 3.165 2 3 4.12785548185058 9586322 CCN(CC)C1=CC=C(C=C1)N/C(=N/C2=NC(=O)C=C(N2)C(F)(F)F)/N 1 2.692 6 1 0 -11.4976954528862 9586320 COC1=CC=CC=C1N/C(=N/C2=NC(=O)C=C(N2)C(F)(F)F)/N 1 1.815 5 2 0 -9.26585411693978 9586318 COC1=CC=CC(=C1)N/C(=N/C2=NC(=O)C=C(N2)C(F)(F)F)/N 1 1.815 5 2 0 -6.59928402747146 9586316 C1=CC(=CC=C1N/C(=N/C2=NC(=O)C=C(N2)C(F)(F)F)/N)Cl 1 2.496 5 1 -4.72102452242817 9586302 CC1=C(C(=CC=C1)N/C(=N/C2=NC(=O)C=C(N2)C(F)(F)F)/N)C 1 2.804 5 1 -4.72788009747844 9586298 COC1=C(C=C(C=C1)/C(=N/OC(=O)C2=CC=CO2)/N)OC 1 1.749 2 5 0 -2.37324408165544 9586284 COC1=C(C=C(C=C1)/C(=N/OC(=O)C2=CC=CS2)/N)OC 1 2.307 2 4 -6.11426854490034 9586270 COC1=CC=CC=C1C/C(=N/OC(=O)C2=CC=CS2)/N 1 2.358 2 3 -1.44777116323601 9586269 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)O/N=C(/CC2=CC=CC=C2OC)\N 1 2.785 3 5 0 0.386601051316467 9586266 CC1=CC=CC=C1/C(=N/OC(=O)C2=CC=CS2)/N 1 2.826 2 2 -3.66394680438962 9586264 CCN(CC)/C(=N/C1=NC(=CC(=N1)C)C)/N 1 1.211 5 0 0 -4.42403260481044 9586083 CC1=CC=C(C=C1)S(=O)(=O)/N=C(/C2=CC=C(C=C2)F)\N 1 2.289 2 2 -0.786466227855334 9585656 COC1=C(C=C(C=C1)C(=O)O/N=C(/C2=CC=CC=C2)\N)OC 1 2.354 2 4 -3.1678581224477 9585041 C1=CC(=CC=C1/C(=N/OC(=O)C2=COC=C2)/N)Br 1 2.239 2 3 -0.302723588019891 9584470 CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)/C(=N/OC(=O)C3=CC=CC=C3)/N 1 1.494 4 4 0 -7.50046687386982 9584431 CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)/C(=N/O)/N 1 0.739 4 3 0 -3.70243005659754 9584329 C1=CC(=CC(=C1)C(F)(F)F)C(=O)O/N=C(/C2=NC=CN=C2)\N 1 1.456 4 2 0 0.97696227391101 9584225 CC(C)S(=O)(=O)C/C(=N/OS(=O)(=O)C1=CC=C(C=C1)Cl)/N 1 1.435 2 5 0 -1.15183941496024 9584216 CCCS(=O)(=O)C/C(=N/OC(=O)C1=CC=CC=C1Cl)/N 1 1.725 2 4 0 -3.53959409216717 9584215 CC(C)S(=O)(=O)C/C(=N/OC(=O)C1=CC(=CC(=C1)Cl)Cl)/N 1 2.243 2 4 -3.91415738066336e-003 9584214 CCCS(=O)(=O)C/C(=N/OC(=O)C1=CC=C(C=C1)Cl)/N 1 1.725 2 4 0 -2.52105712560866 9584192 C1=CC=NC(=C1)SCC2=CC=CC(=C2)/C(=N/OC(=O)C3=CC(=C(C=C3)Cl)Cl)/N 1 5.229 3 2 -3.65467986422649 9584182 C1=CC=C(C(=C1)C(=O)O/N=C(/CS(=O)(=O)C2=CC=CC=N2)\N)Cl 1 1.817 3 4 0 -1.53874724221378 9584180 C1=CC=NC(=C1)S(=O)(=O)C/C(=N/OC(=O)C2=CC=C(C=C2)Cl)/N 1 1.817 3 4 0 -0.351797278642869 9584170 CC1=CC(=NC2=C(C=NN12)/C(=N/OC(=O)C3=CC=CC=C3F)/N)C 1 1.43 5 2 0 -7.56893796777943 9584168 CC1=CC(=NC2=C(C=NN12)/C(=N/OC(=O)NC3=CC=C(C=C3)Cl)/N)C 1 1.797 6 2 0 -5.45570850500163 9584167 CC1=CC(=NC2=C(C=NN12)/C(=N/OC(=O)NC3=CC=CC=C3)/N)C 1 1.133 6 2 0 -7.4343613339618 9583521 C1=CC=NC(=C1)SC/C(=N/OCC2=C(C=CC=C2Cl)Cl)/N 1 3.632 3 1 -3.82143908141776 9583500 C1=CC(=CC=C1/C(=N/S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)/N)C(=O)N 1 3.13 3 3 -2.86751295341217 9583498 C1CSCCN1C/C(=N/OCC2=C(C=CC=C2Cl)F)/N 1 2.166 3 1 -0.464873630682779 9583486 C1=CC(=CC=C1SC/C(=N/S(=O)(=O)C2=CC=C(C=C2)Cl)/N)Cl 1 3.966 2 2 -1.58867016015648 9583481 C1COCCN1/C(=N/S(=O)(=O)C2=CC=C(C=C2)Cl)/N 1 1.133 3 3 0 -6.79588813095361 9583460 C1=CSC(=C1)/C(=N/S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)/N 1 4.082 2 2 -3.22540265508473 9583437 C1=CN=CC=C1/C(=N/S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)/N 1 2.978 3 2 0.208264696194449 9583419 C1=CC=C(C=C1)/C(=N/S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)/N 1 4.128 2 2 0.227334965334815 9583079 C1CCN(CC1)C/C(=N/S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)/N 1 2.831 3 2 -2.51216955373942 9583056 C1=CSC(=C1)C(=O)O/N=C(/CC(=O)NC2=C(C=C(C=C2)F)F)\N 1 2.052 3 3 -2.63099929242877 9583055 C1=CSC(=C1)C(=O)O/N=C(/CC(=O)NC2=CC(=C(C=C2)F)Cl)\N 1 2.511 3 3 -1.04260403913623 9583052 CC1=C(C=C(C=C1)NC(=O)C/C(=N/O)/N)Cl 1 1.351 3 2 0 0.400705417852101 9581918 C1=CC=NC(=C1)/C(=N/OC(=O)C2=CN(C(=O)C=C2)CC3=CC=C(C=C3)Cl)/N 1 1.925 4 3 0 1.29385393459453 9581781 C1=CC=C2C(=C1)/C(=N/O)/C(=O)N2CC3=CC=C(C=C3)Cl 1 3.191 2 2 4.92068289467065 9581780 C1=CC=C2C(=C1)/C(=N/O)/C(=O)N2CC3=CC(=CC=C3)Cl 1 3.191 2 2 4.99891117179554 9581779 CC1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=N/O)/C2=O 1 3.013 2 2 3.09868420408383 9581773 C1=CC=C2C(=C1)/C(=N/O)/C(=O)N2CC3=CC(=CC=C3)C(F)(F)F 1 3.469 2 2 6.10285270798268 9581768 C1=CC=C2C(=C1)/C(=N/O)/C(=O)N2CC3=CC(=C(C=C3)Cl)Cl 1 3.856 2 2 4.65840913770027 9581708 C1=CC=C(C=C1)/C(=N/C(=S)NC2=CC=CC=C2)/N 1 3.82 3 0 -1.2205584768137 9581143 COC1=CC=C(C=C1)/C(=N/OC(=O)N2CCOCC2)/N 1 0.595 3 4 0 1.01874638175788e-002 9581142 C1COCCN1C(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 1.276 3 3 0 2.17410941491349 9581138 C1=CC(=CC=C1C(=O)N/N=C(/C2=NC=CN=C2)\N)Cl 1 0.717 5 1 0 -6.86750009472026 9581099 C1=CC(=CC(=C1)CN2C=C(C=CC2=O)C(F)(F)F)C(=O)O/N=C(/C3=CC(=CC=C3)C(F)(F)F)\N 1 3.867 3 3 2.69171947886684 9581098 C1=CC(=CC(=C1)CN2C=C(C=CC2=O)C(F)(F)F)C(=O)O/N=C(/C3=CC=C(C=C3)Cl)\N 1 3.589 3 3 3.9656081309316 9581097 CC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC(=CC=C2)CN3C=C(C=CC3=O)C(F)(F)F)/N 1 3.411 3 3 2.14360944034478 9581096 C1=CC=C(C=C1)/C(=N/OC(=O)C2=CC(=CC=C2)CN3C=C(C=CC3=O)C(F)(F)F)/N 1 2.925 3 3 1.69531855290832 9581065 C1=CN(C(=O)C(=C1)C(F)(F)F)CCC(=O)O/N=C(/C2=CC=C(C=C2)OC(F)(F)F)\N 1 3.561 3 4 0 1.65256750957738 9581064 C1=CN(C(=O)C(=C1)C(F)(F)F)CCC(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 2.105 3 3 1.53740036070762 9581056 C1=CC(=CC=C1/C(=N/OC(=O)C2=CN=C(C=C2)OCC(F)(F)F)/N)Cl 1 3.43 3 3 1.91889965739732 9580959 CC1=CC(=NO1)/C(=N/OC(=O)NC2=CC=CC(=C2)C(F)(F)F)/N 1 2.265 4 3 0 0.972766964473542 9580958 CC1=CC(=NO1)/C(=N/OC(=O)NC2=CC=CC=C2)/N 1 1.323 4 3 0 -3.4098618593029 9580957 CC1=CC(=NO1)/C(=N/OC(=O)C2=CC(=CC=C2)Cl)/N 1 2.079 3 3 -2.40264258496261 9580956 CC1=CC(=NO1)/C(=N/OC(=O)C2=CC=CC=C2Cl)/N 1 2.079 3 3 -3.14363153050857 9580955 CC1=CC(=NO1)/C(=N/OC(=O)C2=CC=C(C=C2)Cl)/N 1 2.079 3 3 -2.12509456395006 9580907 C1=CC(=CC(=C1)NC(=O)O/N=C(/C2=CC=NO2)\N)C(F)(F)F 1 1.983 4 3 0 4.53126206168125 9580751 CC(/C(=N/O)/N)OC1=C(C=C(C=C1)Cl)Cl 1 2.547 2 2 1.10946210069759 9580603 CCSC1=NC=C(C=C1)/C(=N/OC(=O)C2=CC=CS2)/N 1 2.619 3 2 -6.14072778229381 9580588 C1CC1(C2=C(C=C(C=C2)Cl)Cl)/C(=N/OC(=O)C3=CC=CS3)/N 1 4.211 2 2 -1.61374960283664 9580439 C1=CC=C(C(=C1)C(=O)O/N=C(/CCS(=O)(=O)C2=CC=C(C=C2)Cl)\N)Cl 1 3.341 2 4 -4.25235927946547 9580438 C1=CC=C(C(=C1)C(=O)O/N=C(/CCS(=O)(=O)C2=CC=C(C=C2)Cl)\N)C(F)(F)F 1 3.619 2 4 -3.19896780202462 9580428 C1=CC(=CC=C1/C(=N/OC(=O)C2=CSN=N2)/N)C(F)(F)F 1 2.302 4 2 -1.05194693980314 9580417 C1=CC=NC(=C1)/C(=N/NC(=O)NC2=CC=C(C=C2)Cl)/N 1 1.776 5 1 0 -2.64956766981012 9580416 C1=CC=C(C=C1)NC(=O)N/N=C(/C2=CC=CC=N2)\N 1 1.112 5 1 0 -4.79663349578269 9580414 C1=CC=NC(=C1)/C(=N/NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)/N 1 2.791 4 2 -2.58576201421403 9580413 C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)N/N=C(/C2=CC=CC=N2)\N 1 1.849 4 2 0 -4.45893353405893 9580412 C1=CC=C(C(=C1)S(=O)(=O)N/N=C(/C2=CC=CC=N2)\N)Cl 1 1.571 4 2 0 -5.74182414481111 9580411 C1=CC=C(C=C1)S(=O)(=O)N/N=C(/C2=CC=CC=N2)\N 1 0.907 4 2 0 -5.55629975350896 9580410 C1=CC=NC(=C1)/C(=N/NS(=O)(=O)C2=CC=C(C=C2)Cl)/N 1 1.571 4 2 0 -2.66987842667359 9579597 C1=CC=C(C=C1)/C(=N/S(=O)(=O)C2=CC=C(S2)Cl)/N 1 2.489 2 2 2.21969113140523 9579596 CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)/N=C(/N(C)C)\[O-].Cl Cl- 1 2.385 4 2 -1.2049894776196 9579595 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N/C(=N/C3=NC4=CC=CC=C4O3)/N 1 3.301 5 3 0 -6.81184720960702 9579594 CCCCC1CCC(CC1)/C(=N/O)/N 1 2.982 2 1 -3.96434476163981 9579593 COC1=CC=C(C=C1)C(=O)N/C(=N/C2=NC3=CC=CC=C3O2)/N 1 2.5 4 3 0 -1.83263543229364 9579592 CC[N+](CC)(CC)C/C(=N/O)/N.[Cl-] Cl- 1 -1.068 3 1 0 1.67548897172602 9578480 CC1=CC=C(C=C1)N/N=C/2\C=CC(=O)C3=C2C=CC=N3 1 3.381 3 1 0.789283561512966 9576957 CC1=C/C(=N\NC2=NC=CS2)/C(=O)C=C1 1 1.353 3 1 0 -2.20072643122841 9571124 C1=C/C(=N\NC2=NC=CS2)/C(=CC1=O)O 1 0.369 3 2 0 0.251454047580327 9569180 C1CCC(CC1)NC(=O)C/C(=N/OCC(=O)NC2=CC(=C(C=C2)Cl)Cl)/N 1 2.486 4 3 0 -4.82739617128761 9568818 COC1=CC=CC=C1NC(=O)O/N=C(/C2=CC=CC=C2)\N 1 2.278 3 3 -1.69707176552451 9568817 COC1=C(C=C(C=C1)/C=C/C(=O)O/N=C(/C2=CN=CC=C2)\N)OC 1 1.671 3 4 0 -5.68924783650179 9568815 COC1=C(C=C(C=C1)/C=C/C(=O)O/N=C(/C2=CC=CC=C2)\N)OC 1 2.821 2 4 -2.82486613676713 9568007 CC1=CC=CC(=C1)C2=NN(N=N2)CC/C(=N/O)/N 1 1.16 6 1 0 6.55353635184064 9568002 COC1=CC=CC=C1C2=NN(N=N2)C/C(=N/O)/N 1 0.41 6 2 0 1.21019011438898 9568001 COC1=CC=CC(=C1)C2=NN(N=N2)C/C(=N/O)/N 1 0.41 6 2 0 5.56336406485049 9568000 CC1=CC=CC=C1C2=NN(N=N2)C/C(=N/O)/N 1 0.912 6 1 0 4.94587439184926 9567999 CC1=CC=CC(=C1)C2=NN(N=N2)C/C(=N/O)/N 1 0.912 6 1 0 7.14087816399983 9567998 CC1=CC=C(C=C1)C2=NN(N=N2)C/C(=N/O)/N 1 0.912 6 1 0 4.03599711755416 9567989 CC1=CC(=C(C=C1)C)NC(=O)C(CC2=CC=C(C=C2)OC)/C(=N/O)/N 1 3.107 3 3 -3.29250504977463 9567988 CC1=CC=C(C=C1)CC(/C(=N/O)/N)C(=O)NC2=CC=C(C=C2)F 1 2.843 3 2 -1.17781605564133 9567967 C1=CC=NC(=C1)SCC2=CC(=O)N=C(N2)/N=C(\N)/NC3=C(C=C(C=C3)Cl)Cl 1 3.086 6 1 0 -9.80199894184561 9567960 C1OC2=C(O1)C=C(C=C2)C(=O)O/N=C(/C3=CN=CC=C3)\N 1 1.004 3 4 0 -3.42955107977589 9567955 C1CC2=C(C1)NC(=NC2=O)/N=C(\N)/NC3=CC(=CC=C3)Cl 1 1.79 5 1 0 -10.0231007904387 9567514 C1COCCN1/C(=N\C(=O)NC2=CC=CC=C2)/NC3=CC=CC=C3 1 2.456 4 2 -5.67482212222934 9567513 CS/C(=N\S(=O)(=O)C1=CC=CS1)/NC(=O)CSC2=NC3=CC=CC=C3S2 1 4.241 3 3 -10.6819233650129 9567510 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)O/N=C(/C3=CC=CC=C3)\N 1 3.597 3 3 -1.29595691921272 9567502 CC1=CC2=C(C=C1)C(=NC(=N2)N/C(=N/S(=O)(=O)C3=CC=CC=C3)/N)C 1 3 5 2 0 -4.57068139362566 9567497 COC1=CC=CC(=C1)/C(=N/OC(=O)CC2=CC=CC=C2[N+](=O)[O-])/N 1 2.299 3 5 0 -3.69910749076693 9567496 C1CC2=C(C1)NC(=NC2=O)/N=C(\N)/NC3=CC=CC=C3C(F)(F)F 1 2.068 5 1 -12.8245718700784 9567494 CC1=CC(=C(C=C1)N/C(=N/C2=NC(=O)C=C(N2)CSC3=CC=CC=N3)/N)C 1 3.376 6 1 0 -14.3968595992678 9567487 CC1=C(C=C(C=C1)NC(=O)C/C(=N/O)/N)C 1 1.173 3 2 0 -0.279065250696737 9567484 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)O/N=C(/C3=CC(=C(C=C3)OC)OC)\N 1 3.565 3 5 0 -6.36957074492803 9567479 CC1=CC2=C(C=C1)C(=NC(=N2)N/C(=N/S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])/N)C 1 2.894 6 4 0 -5.76906954174673 9567474 COC1=CC=CC(=C1)N/C(=N/C2=NC(=O)C=C(N2)CSC3=CC=CC=N3)/N 1 2.387 6 2 0 -12.5970573869005 9567468 C1=CC(=CC(=C1)Br)/C(=N/OC(=O)C2=CC=CS2)/N 1 3.088 2 2 -0.869865055930987 9567462 C1CCC(CC1)C(=O)O/N=C(/C2=CC(=CC=C2)Br)\N 1 3.597 2 2 1.06024761983434 9567456 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)O/N=C(/C3=CC=CC=N3)\N 1 2.03 4 4 0 -6.0442868559732 9567453 C1=CC=C(C=C1)OCCCC(=O)O/N=C(/C2=CC(=CC=C2)Br)\N 1 3.54 2 3 -1.8956196388061 9567452 CN(CC(=O)O/N=C(/C1=CC=CC=N1)\N)S(=O)(=O)C2=CC=C(C=C2)Br 1 1.382 4 4 0 -3.89918552177374 9567448 C1=CC=C(C=C1)CC(=O)O/N=C(/C2=CC(=CC=C2)Br)\N 1 3.17 2 2 0.241653399367308 9567442 C1OC2=C(O1)C=C(C=C2)C(=O)O/N=C(/C3=CC(=CC=C3)Br)\N 1 2.903 2 4 -0.605236391496457 9567433 C1=CC=C(C=C1)/C(=N/OC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O)/N 1 2.752 3 4 0 -4.54468381834265 9567426 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)O/N=C(/C2=CC(=CC=C2)Br)\N 1 2.59 3 4 0 -2.66515053686217 9567424 C1=CC=C(C=C1)CCC(=O)O/N=C(/C2=CC(=CC=C2)Br)\N 1 3.626 2 2 -0.105781311418707 9567405 C1CCC(CC1)CC(=O)O/N=C(/C2=CC(=CC=C2)Br)\N 1 3.843 2 2 -0.810051381603593 9567402 CCOC1=CC=C(C=C1)NC(=O)C/C(=N/O)/N 1 0.532 3 3 0 -1.21033979690879 9567398 CC1=C/C(=N\S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)/C(=O)C=C1N3NC4=CC=CC=C4N3 1 2.404 5 4 0 -9.00967922158067 9567395 COC1=CC=C(C=C1)/C(=N/OC(=O)CCC2CCCC2)/N 1 3.078 2 3 -0.386466000174505 9567394 CC1=CC(=CC(=C1)NC(=O)C/C(=N/O)/N)C 1 1.173 3 2 0 -0.495348351904775 9567393 C1CCC(C1)CCC(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.372 3 2 -2.3397933448053 9567389 COC1=CC(=CC=C1)OCC(=O)O/N=C(/C2=CC(=C(C=C2)OC)OC)\N 1 2.173 2 6 0 -4.2033148177381 9567347 COC1=CC=CC=C1C/C(=N/OC(=O)COC2=CC=CC3=CC=CC=C32)/N 1 3.149 2 4 1.85287905784241 9567354 CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC=C(C=C2)NC(=O)C)C 1 0.359 6 1 0 -6.60914369279919 9567379 CCCCN(CCCC)/C(=N/C1=NC(=CC(=N1)C)C)/N 1 3.171 5 0 -4.92994436929251 9567378 CC1=CC2=C(C=C1)C(=NC(=N2)N/C(=N/C(=S)NC3=CC=C(C=C3)OC)/N)C 1 4.56 6 1 0 0.267604860339251 9567377 CCOC1=CC2=C(C=C1)N=C(N=C2C)N/C(=N/C(=S)NC3=CC=C(C=C3)OC)/N 1 4.406 6 2 0 -2.28726207845341 9567370 CN(CC(=O)O/N=C(/C1=CC=CC=N1)\N)S(=O)(=O)C2=CC=CC=C2 1 0.633 4 4 0 -5.32894710350768 9567367 CC1=CC=C(C=C1)SCC(=O)O/N=C(/C2=CN=CC=C2)\N 1 2.116 3 2 -1.44557825884094 9567366 CC1=CC=C(C=C1)SCC(=O)O/N=C(/C2=CC(=CC=C2)[N+](=O)[O-])\N 1 3.161 3 4 0 -2.35356115729728 9567356 C1CC(=O)N(C1)C/C(=N/OC(=O)C2=CC(=C(C=C2)Cl)Cl)/N 1 1.572 3 3 0 -9.86564305750729 9567292 C1=CC(=C(C=C1Cl)Br)OCC(=O)O/N=C(/C2=CC=NC=C2)\N 1 2.484 3 3 5.3898330638687 9567289 C1=CC=C(C(=C1)OCC(=O)O/N=C(/C2=CC=CC=N2)\N)Cl 1 2.164 3 3 -0.164761083573988 9567287 COC1=CC=CC=C1C/C(=N/OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])/N 1 2.299 3 5 0 -2.54054651771515 9567283 C1=CC=C(C(=C1)OCC(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N)Cl 1 3.551 2 3 3.30477220764665 9567277 C1=CC(=CC=C1/C(=N/OC(=O)C2=CC=C(C=C2)Cl)/N)Cl 1 3.715 2 2 4.49441228400865 9567272 C1=CC=C(C(=C1)C(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N)Cl 1 3.715 2 2 4.85885195073763 9567265 CC1=CC=C(C=C1)/C(=N/OC(=O)COC2=CC=CC=C2Cl)/N 1 3.372 2 3 2.29890251857831 9567079 CC\1=NN(C(=O)/C1=N/NC2=CC=CC(=C2)C(F)(F)F)C(=S)N 1 2.631 5 1 2.67057024844919 9567050 C1C2CC3CC1CC(C2)(C3)C(=O)O/N=C(/C4=CN=CC=C4)\N 1 2.127 3 2 0.347648823256013 9567049 C1=CC(=CN=C1)/C(=N/OC(=O)C2=CC=CO2)/N 1 0.631 3 3 0 -9.29931851871641e-002 9567048 C1=CC=NC(=C1)/C(=N/OC(=O)C2=C(C=C(C=C2)Cl)Cl)/N 1 2.993 3 2 5.90326932532632 9567035 CC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC(=CC=C2)OC)/N 1 2.856 2 3 1.63796163526295 9567032 C1=CC=NC(=C1)/C(=N/OC(=O)COC2=C(C=C(C=C2)Cl)Cl)/N 1 2.828 3 3 1.9921349935732 9567028 COC1=C(C=C(C=C1)C(=O)O/N=C(/C2=CC=CC=C2Cl)\N)OC 1 3.018 2 4 -5.14117455241347 9567025 C1=CC(=C(C=C1Cl)Cl)OCC(=O)O/N=C(/C2=CC=NC=C2)\N 1 2.4 3 3 3.47266776206338 9567023 C1=CC=NC(=C1)/C(=N/OC(=O)C2=CC=CO2)/N 1 1.06 3 3 0 1.27178547691695 9567020 CC1=CC(=CC(=C1)OCC(=O)O/N=C(/C2=CN=CC=C2)\N)C 1 2.044 3 3 -1.02896310358136 9567019 COC1=CC(=CC=C1)OCC(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.055 3 4 0 1.0617497397965 9566912 C1=CC(=CN=C1)/C(=N/OC(=O)C2=CC=CS2)/N 1 1.189 3 2 0 -3.83401764843205 9566902 CC(C)(C)C1=CC=C(C=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N 1 3.065 3 2 3.33240408161239 9566735 CC1=CC(=NC2=C1/C(=N/NN3CCCCC3)/N=N2)C 1 2.798 6 0 -5.11553179787782 9566733 CC1=CC(=NC2=C1/C(=N/NN(C)C)/N=N2)C 1 1.881 6 0 0 -4.32346384472975 9566722 CC1=CC(=NC2=C1/C(=N/NN3CCOCC3)/N=N2)C 1 1.568 6 1 0 -6.93556186734706 9566592 C1=CC=C\2C(=C1)C=CC(=O)/C2=N\NC3=CC=C(C=C3)O 1 3.365 2 2 0.18060440463542 9566478 COC1=CC(=CC(=C1)/C(=N/O)/N)OC 1 0.866 2 3 0 -0.582983634420996 9566300 CC1=NC(=C(O1)C(F)(F)F)/C(=N/OC(=O)C2=CC=C(C=C2)Cl)/N 1 2.871 3 3 1.83500023504836 9566299 CC1=NC(=C(O1)C(F)(F)F)/C(=N/OC(=O)C2=CC(=CC=C2)Cl)/N 1 2.871 3 3 1.69729011825745 9566298 CC1=NC(=C(O1)C(F)(F)F)/C(=N/OC(=O)C2=CC=CC=C2Cl)/N 1 2.871 3 3 0.81646326848985 9566294 CC(C)(C)C(=O)OC/C(=N/OC(=O)C1=CC=C(C=C1)Cl)/N 1 2.64 2 4 0.200679890866125 9566293 CN1C=C(C(=N1)/C(=N/OC(=O)C2=CC=CC=C2C(F)(F)F)/N)Cl 1 3.072 4 2 2.42324148186629 9566283 CC(C)(C)C(=O)OC/C(=N/OC(=O)C1=CC(=C(C=C1)Cl)Cl)/N 1 3.304 2 4 -1.13467926147451 9566282 CC(C)(C)C(=O)OC/C(=N/OC(=O)C1=CC=CC=C1)/N 1 1.976 2 4 0 -2.41696636723004 9566221 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)/C(=N/OC(=O)C(C)(C)C)/N 1 4.144 3 3 -7.84366389181949 9566220 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)/C(=N/OC(=O)C3CC3)/N 1 3.355 3 3 -9.75463108675201 9565746 CCN1C2=CC=CC=C2/C(=N/NC(=O)C3=CC=C(C=C3)CSC4=NN=CN4C)/C1=O 1 2.556 6 2 0 -19.7082284050983 9564140 CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=N/NC(=S)N)/C2=O 1 2.209 5 2 0 -6.64644704296157 9564139 CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=N/NC(=O)N)/C2=O 1 1.218 5 3 0 -8.93442842419495 9563911 CC\1=NN(C(=O)/C1=N/NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=S)N 1 3.295 5 1 2.94230720707097 9560000 CC1=CC\2=C(C=C1)N(C(=O)/C2=N\O)CC3=CC=C(C=C3)Cl 1 3.677 2 2 5.9709745314091 9559994 C1=CC=C2C(=C1)/C(=N/O)/C(=O)N2CC3=C(C=CC=C3Cl)Cl 1 3.856 2 2 0.953924205933386 9559993 C1=CC=C2C(=C1)/C(=N/O)/C(=O)N2CC3=C(C=C(C=C3)Cl)Cl 1 3.856 2 2 5.01599351780586 9556704 CC1=CC\2=C(C=C1)N(C(=O)/C2=N\O)CC=C 1 2.046 2 2 -3.50630193797088 9552053 C1CC2C(N(N=C2/C(=C/C3=CC=CO3)/C1)C(=O)CSC4=NC=NN4)C5=CC=CO5 1 3.246 5 3 0 -17.1119458829643 9552052 CCCNCC1COC2=CC=CC=C2O1.Cl Cl- 1 2.119 1 2 -0.216585122289269 9552051 CC1=CC(=CC=C1)NC(=O)CN2C(=O)C(NC2=O)CC3=CC=CC=C3 1 2.208 3 3 -6.01677418608866 9552049 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 2.1 3 5 0 -23.4264414788884 9552048 C1=CC=C2C(=C1)C=CC=C2NC(=O)CN3C=CSC3=N.Cl Cl- 1 1.601 3 1 0 -13.1654937991068 9552047 CC1=CC(=CC(=C1)OCC(=O)NN2CC3=CC=CC=C3C2=N)C.Br Br- 1 2.693 3 2 -6.17998898042826 9552045 CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NN=CN2C 1 2.251 4 2 -14.3446651681295 9552044 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)NCC3=CC=CC=C3)C)C 1 3.272 4 4 0 -17.3300056584307 9552042 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CC=C4.Cl Cl- 1 3.279 3 3 -6.59490525402669 9552041 C[C@@H](C(=O)NCC1=CC=CC=C1)N2C(=O)C3CC=CCC3C2=O 1 1.562 2 3 0 -12.4428712905036 9552039 CC(C)[C@@H](C(=O)NCC1CCCCC1)NC(=O)C2=CC=C(C=C2)OC 1 3.597 2 3 -20.0276147011314 9552038 C[C@@H](C(=O)OCC(=O)C1=CC=C(C=C1)OC)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 3.906 2 6 0 -9.49818806114047 9552037 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CCO)Cl.Cl Cl- 1 1.816 3 4 0 -14.311163740306 9552036 CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)N3CCCCC3 1 3.876 2 1 -5.09329505914185 9552035 CC1=CC=CC=C1OCCN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 3.833 2 3 0.36308823178967 9552034 C1=CC2=C(C(=C1)SCC3=CC=C(C=C3)C(=O)NN/C=C\4/C=CC(=O)C(=C4)O)N=CC=C2 1 2.78 3 3 -8.63986314455512 9552032 CCN(CC)C1=C2C3=C(CCC3)SC2=NC=N1.Cl Cl- 1 3.438 3 0 -7.06287602772346 9552030 C/C(=C(/C#N)\C(=O)CSC1=NN=NN1C2=CC=CC=C2)/N 1 0.922 6 1 0 -23.1679212515876 9552029 CC1=CC(=C(C=C1Br)C)SCC(=O)NN/C=C\2/C=CC(=O)C(=C2)O 1 2.583 2 3 -5.98295360225337 9552027 CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NNC(=N2)N 1 2.216 5 2 0 -6.03124131993433 9552026 CCNC(=O)CN1C(=O)C(NC1=O)CCC2=CC=CC=C2 1 0.95 3 3 0 -10.6472033004124 9552025 C/C(=C(/C#N)\C(=O)CSC1=NC2=C(N1)C=C(C=C2)OC)/N 1 1.534 4 2 0 -8.39189070482512 9552024 CCNC(=O)NC(=O)C(C)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC=CC=C3 1 3.341 4 5 0 -22.0791399353259 9552023 COC1=C(C=C(C=C1)NC(=O)CSC2=CC3=C(C=C2)OCCO3)OC 1 2.761 1 5 -13.7308420918399 9552022 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl.Cl Cl- 1 3.589 3 3 -5.46026700592266 9552020 CC(C)NC(=O)CN1C(=O)C(NC1=O)CCC2=CC=CC=C2 1 1.328 3 3 0 -14.4885620900836 9552019 C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CN3C=CSC3=N.Cl Cl- 1 2.253 3 2 -13.4776888270692 9552017 CC[C@H](C)[C@@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)NC(=O)C3=CC=C(C=C3)Cl 1 3.238 2 6 0 -22.5372853147917 9552016 CC(C)[C@@H](C(=O)OCC(=O)NC1CCCCC1)NC(=O)OCC2=CC=CC=C2 1 3.552 2 5 0 -19.438752753238 9552015 CC1=C2C=CC=C3C2=[N+](CCC3)C=C1.[Cl-] Cl- 1 3.651 1 0 -0.997275832205731 9552014 C\1=CC(=O)C(=C/C1=C\NNC2=NC=CS2)[N+](=O)[O-] 1 -0.126 4 3 0 -1.60403760032341 9552013 C1=C/C(=C\NN=C(N)N[N+](=O)[O-])/C(=CC1=O)O 1 0.857 5 4 0 -3.76100821617237 9552012 C1CN(CCN1CCO)CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O.Cl Cl- 1 2.377 2 3 2.39535307891168 9552011 CC1=CSC(=N1)NN/C=C\2/C=CC(=O)C(=C2)[N+](=O)[O-] 1 0.157 4 3 0 -0.425756146203607 9552010 CN(CC(=O)O/N=C(/C1=CC=C(C=C1)[N+](=O)[O-])\N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.158 4 6 0 -4.60519523427304 9552009 CCN1C2=C(C=CC(=C2)C3=NNC(=O)CC3)/C(=C/NN=CC4=CC=CC=C4)/C1=O 1 1.565 5 2 0 -11.0251546555604 9552008 C/C(=C\C1=CC=CO1)/C=NNC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 3.409 6 1 0 -12.5764660410424 9552007 C1=CSC(=C1)C/C(=N/OC(=O)COC2=CC=C(C=C2)Br)/N 1 2.958 2 3 -3.75183252821756e-002 9552006 CCNC(=O)NC(=O)C(C)SC1=CC2=C(C=C1)OCCO2 1 1.83 2 4 0 -9.60024649361004 9552003 CCN(CC)CC.C1=CC=C(C=C1)C2=NC(ON2)C3=CC(=C(C(=C3)Br)O)Br NEt3 1 4.001 2 2 4.7271975341806 9552001 CCN(CC)C1=NC(=[N+](CC)CC)C2=CC=CC=C21.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 2.88 3 0 -1.97118484265348 9552000 C[C@@H](C(=O)OCC(=O)C1=C(C=C(C=C1)OC)OC)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 3.889 2 7 0 -7.97527006538774 9551999 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CN3C=CSC3=N)Cl.Cl Cl- 1 0.162 4 4 0 -25.8362449124925 9551997 COC1=CC=C(C=C1)C2=C[N+]3=C4N2CCCCC4=C(C3)C5=CC=CC=C5.[Br-] Br- 1 5.344 2 1 -0.41593505855489 9551996 CCN(CC)CC1=C(C=CC(=C1)C(=O)C)O.Cl Cl- 1 2.099 1 2 1.7027535853557 9551995 CN1C2=CC=CC=C2[N+](=C1C3=C(N(CC3=O)C4=CC=C(C=C4)OC)N)C.[Cl-] Cl- 1 3.216 4 2 -7.05318981575455 9551994 CC(C1=CC=CC=C1)NC2=NCCCCC2.Br Br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l)(Cl)Cl)N(CC)CC.[Cl-].[Cl-].[Cl-].[Nd+3] Cl- Cl- Cl- SingleAtom 1 1.535 3 2 0 -6.28909236599649 9551986 CC1(C(=O)N(C(=O)N1)CC(=O)NCCC2=CCCCC2)C3=CC(=C(C=C3)OC)OC 1 2.43 3 5 0 -18.5397997728156 9551985 C1=CC(=C(C=C1Cl)Cl)CCNC(=O)CN2C=CSC2=N.Cl Cl- 1 2.35 3 1 -15.6306537515278 9551984 C1COC2=C(O1)C=CC(=C2)/C(=C(/C(=S)NC3=CC=CC4=CC=CC=C43)\[N+]5=CC=CC=C5)/[O-] 1 4.792 2 3 -6.00217138575333 9551983 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)OC)OC 1 1.448 3 7 0 -14.2611255163243 9551982 CC1CCC2=C(C1)S/C(=C(\C=C\3/C=CC(=O)C(=C3)OC)/C#N)/N2 1 2.639 2 2 -7.73849140104726 9551981 C1=CC=C(C=C1)C\2=NC(=O)NC(/C2=C/3\NC4=CC=CC=C4S3)C5=CC=C(C=C5)F 1 5.584 3 1 -8.15715452828501 9551980 CC(C1=NN=C(N1C2=CC=C(C=C2)Cl)SCC(=O)N3CCC4=CC=CC=C43)N(C)C 1 4.392 5 1 -15.3382331710449 9551978 CCOC1=CC=C(C=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC(=O)NC5=NOC(=C5)C 1 3.799 6 3 0 -25.3120970445762 9551977 C1CCC(=NCC1)NN/C=C/2\C=CC=CC2=O.Cl Cl- 1 0.77 3 1 0 -6.208720580352 9551975 C[N+]1(CCN(CC1)C(=O)C2=CC=CO2)CC(=O)NC3=CC=C(C=C3)F.[Cl-] Cl- 1 8.3e-002 3 3 0 -7.46157793106701 9551974 COC1=CC=C(C=C1)C2=C[N+]3=C4N2CCCCC4=C(C3)C5=CC=C(C=C5)Br.[Br-] Br- 1 6.092 2 1 -0.414683271612673 9551973 C1CCC(CC1)NC2=NCCC2.Cl Cl- 1 1.748 2 0 0 -6.02296091545048 9551972 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3 1 2.285 4 5 0 -31.8139980101786 9551971 CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)N 1 2.758 3 4 0 -15.291564900818 9551970 CCOC1=C(C=CC(=C1)/C=C\2/C(=NN(C2=O)CCC#N)C)OCC(=O)N 1 0.606 4 4 0 -17.4718730212373 9551969 CC(C)CC(=O)NC1=CC=CC(=C1)C(C)O 1 2.098 1 2 -9.73543057762449 9551968 CC1CN(CC(O1)C)C(=O)CSC2=NC(=CS2)C3=CC=CC=C3 1 3.024 2 2 -13.8472312221124 9551967 C1=CC=C(C=C1)C2=NC(=C(N=N2)C3=CC=C(C=C3)Cl)C4=CNC5=CC=CC=C54 1 6.055 4 0 9.33846285757117 9551965 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCN3C=CN=C3.Cl Cl- 1 1.332 4 3 0 -20.0261122587572 9551964 CCN\1C2=CC=CC=C2C(/C1=C/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)CC)(C)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 6.408 2 0 14.1820600950127 9551963 CC1(N=C(N=C(N1C2=CC=C(C=C2)OC)N)N)C.Cl Cl- 1 0.296 5 1 0 10.23006619791 9551962 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC4=CC=CC=C4N3 1 3.335 3 3 -11.0751652415619 9551961 C1=CC=NC(=C1)/C(=N\C2=CC=CC=N2)/NN/C=C\3/C=CC(=O)C(=C3)[N+](=O)[O-] 1 1.252 6 3 0 7.04423081122829e-003 9551960 C[C@@H](C(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)Cl)N3C(=O)C4CC=CCC4C3=O 1 3.36 4 3 0 -17.5116529177477 9551959 CCCCC(=O)NC1=CC=CC(=C1)C(C)O 1 2.302 1 2 -10.1453864929379 9551958 C1C(C(=N)C(=O)O1)C2=CC=CC=C2NC(=O)NC3=CC=CC=C3 1 2.073 3 3 -7.80644730093091 9551957 CC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)Cl)C3COC(=O)C3=N 1 3.224 3 3 -4.46272536462219 9551956 CN1/C(=C\C2=CC(=C(C=C2OC)OC)OC)/C(=O)N=C1N 1 0.948 3 4 0 -5.87469083032027 9551955 CC1=CC(=CC(=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=CC=C3)C 1 2.685 3 3 -7.6768950303465 9551954 C1=CC(=CC(=C1)F)N/N=C/2\C(=NN3C2=NC(=O)C=C3C(F)(F)F)N 1 1.776 6 1 0 -3.18201147133728 9551953 CC(C)(CNS(=O)(=O)C1=C(C(=CC=C1)Cl)Cl)C[NH+](C)C.[Cl-] Cl- 1 1.562 2 2 0 -6.09377001682253 9551952 CC1=CC=C(C=C1)OCC2=NC(=NN2)C3=CC=C(C=C3)Cl.Cl Cl- 1 4.121 3 1 6.27592479703637 9551951 CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NOC(=C3)C 1 3.261 4 3 0 -28.3128195826421 9551949 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4C(=O)N3C(C)COC 1 3.765 7 2 0 -19.1530688105451 9551948 CCCN1C(=CC(=C1C)C2=CSC(=N2)N)C.Cl Cl- 1 2.49 3 0 1.08231654715849 9551947 CCNC(=O)NC(=O)C(C)SC1=NN=C(O1)COC2=CC=CC=C2Cl 1 2.385 4 4 0 -17.0895143271944 9551946 C1CCN(CC1)CC2=NC(=O)C3=CC=CC=C3N2.Cl Cl- 1 1.752 3 1 0 -3.73261748852487 9551945 CC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C=C(N=C3)[N+](=O)[O-] 1 2.933 5 6 0 -7.39720591273671 9551944 CC(=NNC1=CC=C(C=C1)Cl)C2=CN=NC(=N2)C3=CC=CC=C3 1 3.896 5 0 6.5840918961055 9551943 CC(C)N=C1N(C(=CS1)C2=CC=CO2)N/C=C\3/C=CC(=O)C(=C3)O 1 1.563 3 3 0 -1.66294294333719 9551942 CC(C)(C)CC(=O)N[C@@H](CCSC)C1=NC2=CC=CC=C2N1 1 3.058 3 1 -11.3460407495846 9551941 C[C@@H](C(=O)NC1=CC=CC=C1N2CCOCC2)N3C(=O)C4CC=CCC4C3=O 1 1.405 3 4 0 -12.8396874323976 9551940 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)OC)OC.Cl Cl- 1 2.246 2 5 0 -15.5726025924423 9551939 CC(C1=NN=C(N1C2=CC=C(C=C2)Cl)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4)N(C)C 1 4.364 5 3 0 -10.932647071123 9551938 C1COCCN1CCCNCC2=CC=CS2.Cl Cl- 1 0.996 2 1 0 -2.59780951096657 9551936 COC(=O)CC1=CSC(=[NH+]1)N.[Cl-] Cl- 1 0.49 2 2 0 -4.51128766155234 9551935 C1=CC=C2C(=C1)C(=CC=[NH+]2)C3=NC4=CC=CC=C4N3.O.[I-] I- H2O 1 3.869 3 0 5.42592299643219 9551934 CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=NC4=CC=CC=C43 1 3.357 3 3 -7.91878916727567 9551933 CC1=CSC(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl 1 2.53 3 3 -26.2407685880638 9551931 CCCC1(C(=O)N(C(=O)N1)CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4 1 2.737 3 4 0 -4.09397147446198 9551930 CC1=NN(C(=O)N=C1N)C2CCCO2 1 -0.383 4 2 0 -6.38660209641517 9551928 CC1(C(=O)N(C(=O)N1)CC(=O)NCCC2=CCCCC2)C3=CC=CC=C3 1 2.463 3 3 -14.6632127574913 9551927 CCCN1C(=O)NN=C1SCC(=O)NC2CCCCC2C 1 2.726 4 2 -22.9983704719903 9551926 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)/C(=C(\C)/N)/C#N)CC=C)C 1 2.393 4 2 -29.9033064419319 9551925 COC(=O)C1=CC(=CC=C1)NC(=O)C2=CN=CC=C2.Cl Cl- 1 1.319 2 3 0 -9.31487072964728 9551924 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCN3C=CN=C3.Cl Cl- 1 1.332 4 3 0 -20.4586247060212 9551923 CCSC1=NC2(CCCCC2)[NH2+]C3=C1C4=C(S3)CCCC4.[I-] I- 1 4.687 2 0 -6.19050709131274 9551921 C1CCCN(CC1)CC2=CN3C=C(C=CC3=N2)Cl.Br Br- 1 2.896 3 0 -1.02207813632921 9551920 CC1CN(CC(O1)C)C(=O)CSC2=NC(=CS2)C3=CC=C(C=C3)F 1 3.229 2 2 -12.660837780332 9551919 C1=CC(=C(C=C1C=NNC2=NN=CN2N)[N+](=O)[O-])Cl.Cl Cl- 1 0.784 7 2 0 -6.33683080941622 9551918 CC1(CC(=CC(=[N+]2CCOCC2)C1)NC3=CC(=CC=C3)N(C)C)C.[I-] I- 1 2.916 3 1 -8.44381763459486 9551916 CC1=CSC(=[NH+]C2=CC=CC=C2OC)N1.[Br-] Br- 1 2.027 2 1 -4.72257945760309 9551915 CC(C(=O)NC(=O)N)SC1=NN=C(N1C)C(F)(F)F 1 0.95 5 2 0 -8.86316891254243 9551914 CC1=CSC(=N1)SC(C)C(=O)NC2=NC=C(C=C2)Cl 1 2.825 3 1 -7.94482735577461 9551913 COC1=C(C=C(C=C1)C2N=C(N=C(N2C3=CC=CC=C3OC)N)N)OC.Cl Cl- 1 1.947 5 3 0 -1.4977632747708 9551912 C1COCCN1C(CNC(=O)C2=CC=C(O2)Br)C3=CC=CS3.Cl Cl- 1 2.286 2 3 -12.9823936763593 9551911 C1COCCN1C2=C(C=C(C=C2)Cl)N3C(=O)C4=CC=CC=C4/C(=C\NC5=CC=C(C=C5)Cl)/C3=O 1 4.905 3 3 -4.03550567746136 9551910 CC1=CC(=C(N1CCC(C)C)C)C2=CSC(=N2)N.Cl Cl- 1 3.198 3 0 -0.290736955123461 9551909 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCN3C=CN=C3.Cl Cl- 1 0.401 4 4 0 -22.4812596917926 9551907 CCC1=C/C(=C(\CC2=CC=CC=N2)/NO)/C(=O)C=C1O 1 1.406 2 3 0 -3.42254629915769 9551906 CCN(CC)CCNC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3.Cl Cl- 1 4.001 4 1 -1.65353227882888 9551905 C1COCCN1CCNC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4.Cl Cl- 1 2.991 4 2 -3.69804422175649 9551904 CC1=CC=C(C=C1)NC2=NCCCCC2.Cl Cl- 1 2.864 2 0 -3.83467421742236 9551903 CN(C)N=C/C=C/1\CC/C(=C\C2=CC(=C(C=C2)F)F)/C1=O 1 3.2 2 1 3.9371895605375 9551902 CC1=C(SC=[N+]1CC(=O)C2=CC=C(C=C2)Br)CCOC(=O)CC34CC5CC(C3)CC(C5)C4.[Br-] Br- 1 6.469 1 3 -1.4041742852785 9551901 CC(C)[C@@H](C(=O)NC(C)C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 4.228 2 5 0 -21.3245155008561 9551900 C[N+]1(CCN(CC1)C(=O)C2=CC=CS2)CC(=O)NC3=CC=CC=C3Cl.[Cl-] Cl- 1 1.1 3 2 0 -13.6861320942272 9551898 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 2.103 2 5 0 -14.6463213359814 9551896 CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OC(C)C(=O)NC3=C(C=C(C=N3)Cl)Cl 1 3.574 3 5 0 -11.8546889787786 9551895 CCN(CC)C1=NC2=CC=CC=C2N1.Cl Cl- 1 2.127 3 0 0.177521301278035 9551894 C1CN(C2=CC=CC=C21)C(=O)CN3C=CSC3=N.Cl Cl- 1 0.973 3 1 0 -16.9794067791072 9551893 CCCNC1CCS(=O)(=O)C1.Cl Cl- 1 0.164 1 2 0 -9.23334637222473 9551892 C1CN(CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)CC5=CC=CC=C5.Cl Cl- 1 4.143 4 1 -3.10162426710883 9551891 C1COC2=C(O1)C=CC(=C2)NC3=NC(=CS3)C4=CC=CC=C4.Br Br- 1 3.472 2 2 4.40409791096989 9551890 CCCNC(=O)NC(=O)CSC1=NN=C(N1CC=C)C2CCCCC2 1 3.199 5 2 0 -21.4633030766366 9551889 CCN(CC)CCN1C2=CC=CC=C2N=C1NCC3=CC=C(O3)C.Cl Cl- 1 3.176 4 1 -3.69807694559825 9551888 C1CCC(=CC1)CCNC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.904 3 3 0 -14.4489586052194 9551887 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCCC4=CC=CC=C34 1 1.971 3 4 0 -24.8798983629385 9551886 CC(C)C1=CC=C(C=C1)/C=C/2\CC/C(=C\C=NN(C)C)/C2=O 1 3.983 2 1 3.84585728697174 9551885 CCN1CCN(CC1)C(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C.Cl Cl- 1 2.966 3 2 -10.8581055789827 9551884 CC1(C(=O)N(C(=O)N1)CC(=O)NC(=O)NCC2=CC=CO2)C3=CC=CC=C3 1 0.681 4 5 0 -11.5823905045187 9551883 CC1=C(C=C(C=C1)NC2=NCCCCC2)C.Cl Cl- 1 3.351 2 0 -3.68984778052988 9551881 C1CCC(=NCC1)NNC2=NC(=CS2)C3=CC=C(C=C3)Br.Br Br- 1 3.456 4 0 1.53065404298423 9551880 C1CCN2C(=C[N+]3=C2C(=C(C3)C4=CC=C(C=C4)Cl)C1)C5=CC=CC=C5.[Br-] Br- 1 6.025 2 0 1.81902984117607 9551879 C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 0.831 4 5 0 -17.5518224808728 9551877 C1CN(CCN1CC(=O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.327 4 4 0 -22.3816441143302 9551876 COC1=CC=CC=C1CNC(=O)C[N+]2=CC=CC=C2.[Cl-] Cl- 1 2.061 2 2 -12.4755031682054 9551875 C1=CC=C2C(=C1)/C(=C/3\NN=C(O3)SCC4=CN5C=CC=CC5=N4)/C=N2 1 3.096 5 1 -7.98471319905206 9551874 C1CCC2(CC1)N=C(N=C(N2C3=CC(=CC=C3)Cl)N)N.Cl Cl- 1 2.368 5 0 10.6425788874982 9551872 CC1=CSC(=N1)NC(=O)C2COC3=CC=CC=C3O2 1 1.667 2 3 0 -3.96306725513124 9551871 CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1C)C(F)(F)F 1 2.261 5 1 -15.1211533358106 9551870 CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)/C(=C(\C)/N)/C#N 1 1.908 5 1 0 -16.163856110842 9551869 C1CN(C2=CC=CC=C21)C(=O)CNCCO.Cl Cl- 1 0.161 2 2 0 -7.61153221990697 9551868 CCOC(=O)C1=C(C2=CC=CC=C2N=C1C)C.Cl Cl- 1 2.989 1 2 -2.36177869797556 9551867 CCOC1=CC=CC=C1N2C3=[N+](C=C(C=C3)C)/C(=C(/NC4=CC=C(C=C4)OC)\[O-])/C2=S 1 4.823 3 3 -5.41225073192007 9551866 CC\1=NC(=N)S/C1=N\NC2=CC=C(C=C2)Br 1 3.568 4 0 -1.85627245884586 9551865 CCCN1C2=CC=CC=C2N3C1=NCCC3.Cl Cl- 1 2.118 3 0 -7.80769267107581 9551864 CCC(C)NC(=O)N[C@@H](CCSC)C(=O)OC 1 1.138 2 3 0 -20.9767213578502 9551863 C1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)Cl)/O)/C(=O)C(=O)O2 1 3.482 0 4 0.110992747195159 9551862 CC1=CC(=NC(=N1)NC2=N[C@@H]3CCCC[C@H]3N2C(=O)NC4=CC(=CC(=C4)Cl)Cl)C 1 4.655 6 1 0 -4.30060610864154 9551861 CC1=CC=C(C=C1)C2C3=CC=CC=C3OC(=C2/C=C/4\C(=O)NC(=S)S4)C5=CC=CS5 1 6.402 1 2 -0.796324112142927 9551860 CC(C)[C@@H](C1=NN=C(O1)SC/C=C/C2=CC=CC=C2)N.Cl Cl- 1 2.965 3 1 -7.88270906107498 9551859 C1=CC(=C(C=C1CSC2=NN=C(O2)CCCCCN)Cl)Cl.Cl Cl- 1 3.98 3 1 -12.1183999302802 9551858 C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl Cl- 1 0.453 2 3 0 -5.08344048122997 9551857 CC(C)CC[N+]1=CN(C=C1)C\2=C(C3=CC=CC=C3C(=O)/C2=N\S(=O)(=O)C4=CC=CC=C4)[O-] 1 4.216 3 4 0 -0.808492962189513 9551855 COC1=C(C=C(C=C1)C(=O)NCCN2CCCC2)OC.Cl Cl- 1 1.605 2 3 0 -11.4153213150038 9551854 COC1=CC=CC=C1N2CC3=CC=CC=C3C2.Br Br- 1 3.312 1 1 -0.5253498131935 9551853 CC(C)N1C=NC2=C1C=CC(=C2)NCC3=CC=CO3.Cl Cl- 1 2.851 3 1 -3.62817648733063 9551852 CCN(CC)CCN1C2=CC=CC=C2N=C1NCC3=CC=CO3.Cl Cl- 1 3.031 4 1 -5.64790126353165 9551851 COC1=CC=CC(=C1)CNCCNC(=O)C2=NON=C2N.Cl Cl- 1 0.233 5 3 0 -13.3208128752309 9551850 CCOC1=CC=CC(=C1)CNCCNC(=O)C2=NON=C2N.Cl Cl- 1 0.582 5 3 0 -14.4199155449032 9551849 COC1=CC=CC=C1C=NNC2=NCCCCC2.Cl Cl- 1 2.431 3 1 -4.51489784751735 9551848 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CN=CC=C5)/O 1 1.465 4 4 0 -4.34296380788859 9551847 CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=CO3.[Br-] Br- 1 3.167 3 2 -0.315357156109841 9551846 C1COC2=C(O1)C=CC(=C2)C3=C/C(=C\4/C=C(C=CC4=O)F)/NN3 1 1.044 2 3 0 -2.93239988371692 9551845 CCS/C(=N/N/C=C/1\C=C(C=CC1=O)C)/N 1 1.393 3 1 0 -4.55438875446038 9551844 CCCCS/C(=N/N/C=C/1\C=C(C=CC1=O)C)/N 1 2.373 3 1 -5.12759970932494 9551843 CN(CCCNC(=O)C1=CN/C(=C\N=O)/C=C1)CCCN(C)CC2=CC=CC=C2 1 1.045 5 2 0 -7.38133105224148 9551842 CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=N4)/O 1 1.837 4 3 0 -2.2944028843891 9551841 COC(=O)C(CC1=CC(=C(C=C1)O)O)N.Cl Cl- 1 0.615 1 4 0 0.696187415509687 9551840 CCCS/C(=N/N/C=C/1\C=CC=CC1=O)/N 1 1.471 3 1 0 -5.32391540297395 9551839 CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C(=C(C3=CC=CC=C3C2=O)[O-])N4C=C[N+](=C4)CCC(C)C 1 4.056 3 4 0 0.255929674059047 9551838 C[C@@H](C(=O)OC)NC(=O)NC(C)CCC1=CC=CC=C1 1 2.299 2 3 -10.8373700834287 9551837 C1=CC=C2C(=C1)C=CC=C2C(=O)O/N=C(/CC3=CC=C(C=C3)Cl)\N 1 3.994 2 2 7.38771015940832 9551833 CCN(CC)CC(C)OC(=O)C1=CC(=C(C(=C1)OC)OC)OC.Cl Cl- 1 2.849 1 5 -10.0125077191118 9551832 CC(C)OC(C1=CC=C(C=C1)Cl)C(C(=O)C2=CC=CC=C2)NC.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 4.047 1 2 -3.35106804803956 9551831 CN1CCC2=C(C1C3=CC=C(C=C3)OC)C4=C(N2C)CCN(C4C5=CC=C(C=C5)OC)C.Cl Cl- 1 4.627 3 2 -2.30120032624645 9551830 CN1CCC2=C(C1C3=CC=C(C=C3)F)C4=C(N2C)CCN(C4C5=CC=C(C=C5)F)C.Cl Cl- 1 5.071 3 0 -1.17635709163706 9551828 CN1CCC2=C([C@@H]1C3=CC=CC=C3F)C4=C(N2C)CCN([C@H]4C5=CC=CC=C5F)C.Cl Cl- 1 5.071 3 0 -4.14257143600572 9551827 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C\NC4CCS(=O)(=O)C4)/C2=O 1 1.865 2 4 0 -10.7143167425872 9551826 CC(C)CCN/C=C/1\C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3 1 3.452 2 2 -12.5464604500445 9551825 CC1=NC2=C(S1)N(C3=C2C=C(C=C3)Cl)CCN4CCCCC4.Cl Cl- 1 4.272 3 0 6.67878232115915 9551824 C1=C[C@@H]2[C@@H]3[C@H]([C@H](N2N=C1)C(=O)NC4=CC=C(C=C4)Cl)C(=O)N(C3=O)C5=C(C=C(C=C5)Cl)Cl 1 3.402 4 3 0 2.12534625388897 9551823 CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C\NC4CCS(=O)(=O)C4)/C2=O)C 1 2.352 2 4 -10.5995372868566 9551822 CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3/C(=C\NC4CCS(=O)(=O)C4)/C2=O)C 1 2.352 2 4 -11.023943854884 9551821 CCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CO3.Br Br- 1 3.139 3 2 -4.24978538069837 9551820 CCC1=CC=C(C=C1)C2=CSC3=[N+](CCN23)C(=O)C.[Br-] Br- 1 2.658 2 1 -2.86319843298164 9551819 C[C@@H](C1=NN=C(O1)SCC2=C(C=CC=C2Cl)Cl)N.Cl Cl- 1 2.983 3 1 -11.737146413163 9551818 C1[C@H](N2C(S1)C3=CC=CC=C3C2=O)C(=O)NCC4=CC=CC=C4 1 2.408 2 2 -14.2440180191888 9551816 CN1C(=NN=N1)SCCNCC2=CC(=C(C(=C2)OC)OC)OC.Cl Cl- 1 1.36 5 3 0 -16.1721651039428 9551815 CCCS/C(=N/N/C=C/1\C=C(C=CC1=O)C)/N 1 1.917 3 1 0 -5.5432931623479 9551814 CCN1C2=CC=CC=C2/C(=N/NC3=NC(=O)CS3)/C1=O.Br Br- 1 1.586 4 2 0 -8.30420072099364 9551813 CC1=CC=CC=C1N2C(=O)/C(=C(\C)/NCC3=CN=CC=C3)/C(=O)NC2=O 1 1.566 4 3 0 -10.0150100033793 9551812 C=CC[N+]1(CCOCC1)CC#CCOC(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] Cl- 1 2.925 1 2 -12.905915690413 9551811 CC1CCCCC1NC(=O)N[C@@H](CC(C)C)C(=O)OC 1 2.97 2 3 -18.5029581462772 9551810 C1CN(CCN1CC2=CC=CC=C2)C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4.Cl Cl- 1 4.368 4 1 11.1703797133711 9551809 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=NC=C5)/O 1 1.465 4 4 0 -3.66575029718175 9551808 CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C4=C2C=C(C=C4)Br)CN(C)C.Cl Cl- 1 5.064 2 1 1.35343839759682 9551807 CC1=CC(=C2C(=C1)C3([C@H]4[C@@H](C(N3)CC(=O)N)C(=O)N(C4=O)C5=C(C6=C(S5)CCCC6)C#N)C(=O)N2)Cl 1 2.052 5 4 0 -9.90689124623496 9551806 CCCCC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=C(C=CC(=C5)F)NC4=O)NC3CC(=O)N 1 1.913 4 4 0 -4.40493396199723 9551805 CC(C)[C@@H](C1=NN=C(O1)SCC(=O)C2=CC=C(C=C2)Cl)N.Cl Cl- 1 2.834 3 2 -10.0632260911565 9551804 C1=CC=C2C(=C1)C=CC(=C2CNCCNC(=O)C3=NON=C3N)OCC4=CC=CC=C4F.Cl Cl- 1 2.93 5 3 0 -11.9213221083171 9551803 C1=CC=C2C=C(C=CC2=C1)N3C(=O)[C@@H]4[C@H]5C=CC=NN5[C@@H]([C@@H]4C3=O)C(=O)NC6=CC=C(C=C6)Cl 1 2.982 4 3 0 3.09355235534536 9551802 C1=C[C@@H]2[C@@H]3[C@H]([C@H](N2N=C1)C(=O)NC4=CC=C(C=C4)Cl)C(=O)N(C3=O)C5=CC=C(C=C5)Cl 1 2.738 4 3 0 0.28651315107639 9551801 CC1(CC(=C2C(=NC3=C(N=CN=C3S2)OC)C1)NCCC(=O)O)C.Br Br- 1 1.691 4 3 0 -14.0326830873203 9551800 CCC1=NC2=C(C(=N1)N[C@@H](C(C)CC)C(=O)O)OC3=CC=CC=C32 1 3.746 3 3 -7.56140314397742 9551798 CCC(C)[C@@H](C(=O)O)NC1=NC(=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4.Cl Cl- 1 4.743 3 3 -1.50548672576712 9551797 CCCCCCCN1C=CC(=N)C=C1.I I- 1 2.637 2 0 -1.30517185525472 9551796 C1=CC=C(C(=C1)CN2C=CC(=N)C=C2)Cl.Cl Cl- 1 2.187 2 0 0.607296722093872 9551795 C1=CC(=C(C=C1Cl)Cl)CN2C=CC(=N)C=C2.Cl Cl- 1 2.852 2 0 3.15482359573055 9551794 CCC(C)[C@@H](C(=O)O)NC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 3.771 2 4 -13.206133325178 9551793 CCOC1=C2C(=[N+](C(=C2C(=CC=C1)OCC)C)CC3CCCO3)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 3.657 1 3 -5.34351414455624 9551792 CC1=CC=C(C=C1)C(=O)C\2=CNN/C2=C/3\C=CC=CC3=O 1 1.45 2 2 0 -6.02033829164603 9551791 C1[C@@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)C(=O)C4=CC=C(C=C4)C5=NN=C(C6=CC=CC=C65)NC7=CC(=CC=C7)Cl 1 4.476 5 2 0 -9.55898034777068 9551790 CCOC(=O)[C@@]1([C@@H]2C=CC(=CN2[C@H](C1C3=CC(=C(C=C3)Cl)Cl)C(=O)N)C(=O)C)C#N 1 2.095 3 4 0 -3.90863682136009 9551789 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(O2)[C@H](CC3=CC=CC=C3)N.Cl Cl- 1 3.235 4 2 -16.068105698363 9551788 CC1=CC=C(C=C1)CSC2=NN=C(O2)[C@@H]3CCCN3.Cl Cl- 1 2.684 3 1 -11.9911996067615 9551787 CC1=C(/C(=C\2/C=CC(=CC2=O)OCC(=C)C)/NN1)C3=CC=C(C=C3)OC 1 2.327 2 3 -8.88505757073122 9551785 CN1C2CCC1[C@H]3[C@@H](C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=CC(=CC=C4)F 1 1.683 5 0 0 6.06476129103177 9551784 CCCC[N+]12CCC(CC1)C(C2)C(=O)C3=CC=CS3.[Br-] Br- 1 2.099 1 1 -5.83304399446963 9551782 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC=C2)C(=O)N3CCC4(CCCCC4C3)O 1 2.906 2 4 -13.6464235581281 9551781 CC(C)[C@@H](C(=O)O)NC1=NC(=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4.Cl Cl- 1 4.287 3 3 0.669206156160905 9551780 C1CC[C@@]2(CCN(C[C@@H]2C1)C(=O)C(CC3=CC=C(C=C3)Cl)NS(=O)(=O)C4=CC=CC=C4)O 1 3.406 2 4 -10.9360757716847 9551779 COC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=C(C=C2)Cl)C(=O)N3CC[C@]4(CCCC[C@H]4C3)O 1 3.389 2 5 0 -10.4530323415927 9551778 CCC(C)[C@@H](C1=NN=C(O1)SCC2=C(NC(=O)NC2=O)C)NC(=O)OC(C)(C)C 1 2.181 5 5 0 -33.0571173763029 9551777 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CSC4=CC=CC=N4.CCO CCO 1 4.611 5 2 0 -16.3384639431305 9551776 CCO.CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=C(N(N=C3C)C4=CC=CC=C4)Cl)C5=CC=CC=C5 CCO 1 4.463 6 1 0 -5.16337798237024 9551775 CCO.C1C=C2C(CC1C3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CN=CC=C4 CCO 1 2.39 5 0 4.74212305307745 9551774 CC(C)(C)N(C)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.Cl Cl- 1 4.015 1 3 -4.5900631111631 9551773 C[C@@]12C[C@@H](CC(C1)(C)C)N(C2)C(=O)C(CCSC)N3C(=O)C4=CC=CC=C4C3=O 1 2.981 2 3 -22.0768173118015 9551772 CC1(CC2=C(C=CC3=CC=CC=C23)/C(=C/C(=O)N4CCCCC4)/N1)C.Cl Cl- 1 3.429 2 1 -6.27324421363178 9551771 CN1C2CCC1[C@@H]3[C@H](C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=C(C=CC=C4F)F 1 1.888 5 0 0 2.84782706014738 9551769 CCC1=NC2=C(C(=N1)NCC3=CC4=C(C=C3)OCO4)OC5=CC=CC=C52.Cl Cl- 1 3.832 3 3 1.99238713230262 9551768 C1=CC(=C(C=C1Cl)Cl)CSC2=NN=C(O2)CCCCCN.Cl Cl- 1 3.98 3 1 -12.5401780884728 9551767 CC1=C(SC(=N1)N)C(=O)NC2=CC=CC=C2.Cl Cl- 1 1.439 3 1 0 -2.14841118501521 9551765 C1CC(OC1)CNC2=NC=NC3=C2OC4=CC=CC=C43.Cl Cl- 1 2.217 3 2 0.909170793381541 9551764 CCC1=NC2=C(C(=N1)NC3=CC4=C(C=C3)OCCO4)OC5=CC=CC=C52.Cl Cl- 1 3.843 3 3 2.36191602062971 9551763 CCC1=NC2=C(C(=N1)NC3=CC4=C(C=C3)OCO4)OC5=CC=CC=C52.Cl Cl- 1 3.825 3 3 3.80721717419815 9551762 CCC1=NC2=C(C(=N1)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC6=CC=CC=C62.Cl Cl- 1 3.995 4 3 0 8.65225557199142 9551761 CCC1=NC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CC=C4)OC5=CC=CC=C52.Cl Cl- 1 3.568 4 2 1.84262136625202 9551760 CCC1=NC2=C(C(=N1)NCC3=CN=CC=C3)OC4=CC=CC=C42.Cl Cl- 1 2.914 4 1 1.06735744259365 9551759 CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(O2)[C@H](CC3=CC=CC=C3)N)C.Cl Cl- 1 3.235 4 2 -13.3805989692866 9551758 CC(C)SC1=NN=C(O1)[C@H](CC2=CC=CC=C2)N.Cl Cl- 1 2.353 3 1 -5.3115558249276 9551757 C1=CC=C(C(=C1)C(=O)N/C(=N/C2=NC3=CC=CC=C3O2)/N)F 1 2.722 4 2 -2.69295699575075 9551756 C[N+](C)(C)CCCC(=O)C1=CC2=C(C=C1)OCO2.[Cl-] Cl- 1 0.558 1 3 0 -7.84936878165224 9551755 C1=CC=C2C3C4[C@H](C(C2=C1)C5=CC=CC=C35)C6=NC7=CC=CC=C7N6C4=O 1 4.455 2 1 -5.42807130971162 9551754 CC(C)C(C#CCN1CCCC1)(C2=CC=CC=C2)O.Cl Cl- 1 3.492 1 1 1.60627756881269 9551753 COC1=CC=CC=C1C(=O)N/C(=N/C2=NC3=CC=CC=C3O2)/N 1 2.5 4 3 0 -3.02141796029818 9551752 CCC1=NC2=C(C(=N1)NC3=CC=CC=C3)OC4=CC=CC=C42.Cl Cl- 1 4.057 3 1 6.04597835254168 9551751 CC(C)(C)N(CC1=CC=C(C=C1)[N+](=O)[O-])CC(COC2=CC=CC3=C2C(=CN3)CC(=O)OC)O.Cl Cl- 1 4.034 3 6 0 -9.70746024125953 9551749 C[N+](C)(CC=C)C(CC=C)C#CC1=CC=CC=C1.[Br-] Br- 1 2.722 1 0 -1.63439637010695 9551748 CC(C)CC1CC(=O)OC1(C)C(=O)CSC2=NC3=CC=CC=C3S2.Br Br- 1 4.472 1 3 -10.1466439280042 9551746 C1=CC(=CC=C1F)SCCC2=CC=[NH+]C=C2.[Cl-] Cl- 1 3.88 1 0 6.57961293762185 9551745 CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3/C(=C\NC4CCS(=O)(=O)C4)/C2=O 1 1.865 2 4 0 -8.9279481845196 9551744 C1CC[C@@]2(CCN(C[C@@H]2C1)C(=O)[C@H](CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl)O 1 3.406 2 4 -10.8548810372281 9551742 C1C[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)C6(N2C1)C(=O)C7=CC=CC=C7C6=O 1 3.161 2 4 5.4191817459012 9551741 CC1=C(C=C(C=C1)CC2C(=O)N/C(=C(/C#N)\C(=O)C)/S2)C 1 2.865 2 2 -8.89258729358789 9551740 CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C=CC=NN4[C@@H]([C@@H]3C2=O)C(=O)NC5=CC=C(C=C5)Cl 1 2.56 4 3 0 1.11283209329394 9551739 CCOC1=C(C=C(C=C1)CN(CCCl)CCCl)C(=O)OC.Cl Cl- 1 3.421 1 3 -5.07768852591472 9551737 CC1=NN2C(=NN=C2C3=C(C=CC(=C3)S(=O)(=O)NC)OC)C4=CC=CC=C14.Cl Cl- 1 1.863 5 3 0 -13.6328656144664 9551736 CCN(CC#CCC(C1CCCC1)(C2=CC=CC=C2)O)C(C)C.Cl Cl- 1 4.968 1 1 -2.45415162519635 9551735 C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=CC(=C4)C(=O)O.Cl Cl- 1 2.758 5 2 0 3.39502142870844 9551733 CCCCOC(=O)C1CCC[C@H](N1)C.Cl Cl- 1 2.25 1 2 -6.16292108223163 9551732 CCOC(=O)/C(=C/1\N(C(=O)C(S1)C)C2=CC=C(C=C2)Br)/C#N 1 3.341 2 3 -5.17438753600164 9551731 C1C[C@H](NC1)C2=NN=C(O2)SCC3=CC=CC=C3.Cl Cl- 1 2.198 3 1 -12.8060145115411 9551730 CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CN3)C 1 1.187 4 3 0 -4.99239095663687 9551729 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC=CC=C4Cl)C 1 3.268 3 4 0 -26.5936648240937 9551728 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)NCC3=CC4=C(C=C3)OCO4)C 1 1.901 3 6 0 -22.5835176255994 9551727 COC1=CC(=CC(=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3)OC 1 1.038 3 6 0 -21.4957820783045 9551726 CCC1=CC=CC=C1NC(=O)N[C@@H](C(C)CC)C(=O)O 1 3.153 2 3 -17.9736378130044 9551725 C1=CC=C(C=C1)N2C3=CC=CC=C3SC2=NN.Cl Cl- 1 3.243 3 0 -1.45395106526141 9551724 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NN4C(=NN=C4C5=CC=CC=C53)C)C 1 2.781 6 4 0 -19.7701504294197 9551723 C1COCCN1CC(CCCCCC(CN2CCOCC2)C(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)F.Cl Cl- 1 5.356 2 4 -5.15820487020115 9551722 CCOC1=CC=C(C=C1)C(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 2.956 1 3 -4.78477933300656 9551721 CCCOC1=CC=C(C=C1)C(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 3.48 1 3 -4.32979054899334 9551720 CC1(CC2=C(CS1)SC3=C2C(=O)N(C4=NCCN34)C5=CC=CC=C5)C.Cl Cl- 1 3.702 3 1 -12.9813409025534 9551719 C1CC(OC1)CN/C=C/2\C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F 1 1.603 3 3 0 -8.67105880564472 9551718 COC1=CC=CC=C1NC(=O)CC2C(=O)NCCN2C(=O)NC3=CC=CC=C3 1 1.034 4 4 0 -29.0097938026931 9551717 C1COCCN1C(C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=C(C=C4)F)O.Cl Cl- 1 4.337 1 2 -3.48531687314276e-002 9551716 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(C)CC(=O)NC3=CC(=CC(=C3)OC)OC 1 1.895 3 5 0 -14.6160399753663 9551715 CC1=NN(C(=C1C(=O)O)N2C=CC=C2)C3=CC=CC=C3 1 2.969 3 2 -2.43308370390827 9551714 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=C(C=CC(=C3)OC)OC)OC1=O 1 1.309 3 7 0 -13.947097759492 9551713 CCCCNC(=O)C1=CC2=C(C=C1)C(=C3CCCCC3=N2)SCC(=O)O 1 4.096 2 3 -13.1791038178688 9551712 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)CC=C 1 3.414 3 4 0 -21.4508656313767 9551711 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)N4CCC5=CC=CC=C54 1 3.431 3 4 0 -23.7433879573377 9551710 CN1C(=O)[C@@]2(CC3=CC=CC=C3N4C2CN(CC4)C5=CC=CC=C5)C(=O)NC1=O 1 2.614 4 3 0 -2.9424628317695 9551709 C1COC2=C(O1)C=CC(=C2)NC3=NC=NC4=C3OC5=CC=CC=C54.Cl Cl- 1 3.221 3 3 3.55057062154761 9551708 CC(C)C[C@H](C1=NN=C(O1)SCC(=O)C2=CC=C(C=C2)Cl)N.Cl Cl- 1 3.222 3 2 -11.2679176655852 9551707 CC1=NC=C(/C(=C/NNC2=C(C(=C(C(=C2F)F)F)F)F)/C1=O)CO.Cl Cl- 1 1.21 3 2 0 1.05446541106404 9551706 CC1=NC=C(/C(=C\NNC2=CC=CC=C2OC)/C1=O)CO.Cl Cl- 1 0.167 3 3 0 -1.00232781803428 9551705 CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-].Cl Cl- 1 2.665 3 4 0 -4.25493467510675 9551704 COC1=C(C=C(C=C1)C2=NO[C@H]3[C@@H]2C(=O)N(C3=O)CC4=CC=CC=C4)OC 1 2.157 2 5 0 -6.64774568643835 9551703 CCC(C)[C@@H](C(=O)OC)NC(=O)NCCCC1=CC=CC=C1 1 3.221 2 3 -22.8315592170161 9551702 CCC(C)[C@@H](C(=O)OC)NC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F 1 3.637 3 3 -9.99613857853459 9551701 CCC(C)[C@@H](C(=O)OC)NC(=O)N1CCCC1 1 1.527 2 3 0 -19.5795327854875 9551700 CCC(C)[C@@H](C(=O)NN=CC1=CC2=CC=CC=C2OC1)NC(=O)OC(C)(C)C 1 3.494 3 4 0 -14.1391796806357 9551699 CCC(C)[C@@H](C(=O)NN=CC1=C2C(=CC=C1)N=CC=N2)NC(=O)OC(C)(C)C 1 2.901 5 3 0 -18.2339504301956 9551698 CCC(C)[C@@H](C(=O)NN=CC1=CC2=NC=CN=C2C=C1)NC(=O)OC(C)(C)C 1 2.901 5 3 0 -18.8814797198333 9551697 CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4 1 2.976 4 3 0 -8.25429202241739 9551696 CC1C(=CC2=CC=CC=C2O1)C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 1 3.804 3 4 0 -17.2297727847807 9551695 CC1=CC(=NC(=N1)N2CCN(CC2)C3=NC(=NC4=C3OC5=CC=CC=C54)C6=CC=CC=C6)C.Cl Cl- 1 4.001 6 1 0 12.042674631824 9551694 CC(C)(C)C(=O)[C@H]1[C@@H]([C@@]2(C3N1N=CC4=CC=CC=C34)C(=O)OC(=N2)C5=CC=CC=C5)C6=CC=CC=C6 1 5.304 3 3 -2.632333831011 9551693 CC(C)(C)C(=O)[C@H]1[C@@H]([C@@]2(C3N1N=CC4=CC=CC=C34)C(=O)OC(=N2)C5=CC=CC=C5)C6=CC(=C(C=C6)OC)OC 1 5.271 3 5 0 -6.33377826929627 9551692 CC[N+]1(CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1)C.[Br-] Br- 1 2.762 1 1 -6.3940486623047 9551691 C[N+]1(CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1)C.[I-] I- 1 2.413 1 1 -5.86820722999317 9551690 CCC(C)[C@@H](C(=O)NCC1CCC(CC1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2 1 4.048 4 4 0 -27.7914250707305 9551687 COC1=C(C=C(C=C1)C2=NC3=C(N2)C=NC=C3)OC.Cl Cl- 1 2.087 3 2 1.59274451823788 9551686 CCCC[N+]1=CN(C=C1)C\2=C(C3=CC=CC=C3C(=O)/C2=N\S(=O)(=O)C4=CC=CC=C4)[O-] 1 3.964 3 4 0 2.53380591673078 9551685 CCCCC[N+]1=CN(C=C1)C\2=C(C3=CC=CC=C3C(=O)/C2=N\S(=O)(=O)C4=CC=CC=C4)[O-] 1 4.42 3 4 0 3.58386521912399 9551684 CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]4[C@@H]5[C@H]([C@H]3O4)C(=NO5)C6=CC=CC=C6Cl 1 2.895 2 4 -0.8352751022511 9551683 CN(CC(=O)NC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=CC3=NSN=C32 1 1.678 4 5 0 -14.7764806997011 9551682 CCOC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.403 3 5 0 -19.248614129347 9551681 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CN4 1 1.327 5 3 0 -2.15572658301655 9551680 CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CN3 1 0.599 4 3 0 -11.3890487900484 9551679 CCC(C)[C@@H](C1=NN=C(O1)SCC(=O)C2=CC=C(C=C2)Cl)N 1 3.29 3 2 -12.8272321191793 9551678 CC(=O)[C@@H]1[C@H]2[C@@H](C3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5CCCCC5 1 2.069 2 3 -6.9511084717552 9551676 CC1=CC=C(C=C1)CNC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=C(N(N=C3C)C)C 1 2.714 4 4 0 -16.1569384126956 9551675 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(C)CC(=O)NC3=C(C=CC(=C3)OC)OC 1 1.895 3 5 0 -13.9908309952924 9551674 CCSC1=NN=C(O1)[C@H](CC2=CC=CC=C2)N.Cl Cl- 1 1.975 3 1 0 -7.90757795682375 9551673 COC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3CCCO3)C4=CC(=CC=C4)O)/O 1 2.476 1 6 0 -9.71047040713057 9551672 COC(=O)C1=CN(C(=O)C(=C1)Br)CCC2=CC=C(C=C2)O.Cl Cl- 1 1.813 1 4 0 -0.355355427790971 9551671 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)N(C(=O)C1=O)C 1 1.414 4 4 0 -11.6604448138333 9551670 C1CC1N2C(=O)[C@@H]3C4C=CC(C3C2=O)C5[C@H]4C(=O)N(C5=O)C6CC6 1 -0.312 2 4 0 -5.222161463157 9551669 COC1=CC2=C(C=C1)N3CCN=C(C3=C2)NN.O.Cl Cl- H2O 1 1.193 4 1 0 1.81513299071308 9551668 CCC(C)[C@@H](C(=O)OC)NC(=O)NCC1=CC=CC=N1 1 1.508 3 3 0 -21.8666229583618 9551667 C1=CC=C(C(=C1)C2=NO[C@H]3[C@@H]2[C@@H]4[C@@H]5[C@H]([C@H]3O4)C(=O)N(C5=O)C6=CC=C(C=C6)Cl)Cl 1 3.074 2 4 0.170594586817241 9551666 CCN(CC)CCNC1=NCCN2C1=CC3=C2C=CC(=C3)OC.Cl Cl- 1 2.727 4 1 -1.82486929540085 9551665 CCC(C)[C@@H](C(=O)O)NC(=O)NC1=CC(=CC=C1)Cl 1 2.875 2 3 -12.1955273610532 9551664 CC1CC(CN(C1)C(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3)C 1 1.256 3 4 0 -21.0250169681746 9551662 CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CCN(CC4)C.Cl Cl- 1 3.345 4 3 0 0.633805924385106 9551661 CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]4[C@@H]5[C@H]([C@H]3O4)C(=NO5)C6=C(C=C(C=C6)Cl)Cl 1 3.56 2 4 1.20067069905193 9551660 CC1=CC=C(C=C1)/C=[N+](\C2C(N(C(=S)S2)C)(C)C)/[O-] 1 4.031 2 1 -2.01814430073897 9551659 CCN(CC)CCC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN(CC)CC)C=C1.O.Cl Cl- H2O 1 4.109 4 2 -10.4725192310325 9551658 C[C@@H](C(=O)O)NC(=O)NC1CCCC2=CC=CC=C12 1 1.934 2 3 0 -10.191685276878 9551657 CC[N+](C)(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=N2.[Br-] Br- 1 2.761 3 0 -2.05512193123543 9551656 CC(C)(C)C(=O)[C@H]1[C@@H]([C@@]2(C3N1N=CC4=CC=CC=C34)C(=O)OC(=N2)C5=CC=CC=C5)C6=CC=C(C=C6)OC 1 5.288 3 4 0 -2.29991489384667 9551655 CCOC(=O)CN1C2=CC=CC=C2N(C1=N)CCOC3=CC=C(C=C3)OC.Cl Cl- 1 2.831 3 4 0 -5.14820864431616 9551654 C[N+]1(CCCCCC1)CCCCCCC(=O)C=NO.[I-] I- 1 1.723 2 2 0 -6.55979639961737 9551653 CC(CN1CCCCC1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24.Cl Cl- 1 4.378 1 3 -5.84536967244113 9551652 CCCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CO4)/O 1 2.324 3 5 0 -6.72214220169767 9551651 CN=C1C2=CC3=C(N2CCN1CC4=CC=CC=C4)C=CC(=C3)OC.Cl Cl- 1 3.68 3 1 2.39374308657461 9551650 CC(CN1CCCCC1)OC(=O)C(C)(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 5.065 1 2 -2.44970911258127 9551649 CCOC(=O)C1(/C(=N/NC2=CC=C(C=C2)Cl)/C(=O)C(=O)N1C3=CC=CC=C3)C 1 3.834 3 4 0 -1.72701269535163 9551648 C1CC(OC1)CNC2=NC(=NC3=C2OC4=CC=CC=C43)C5=CC=CC=C5.Cl Cl- 1 3.837 3 2 6.08092752422029 9551647 C1=CC=C(C=C1)C2=NC3=C(C(=N2)NCC4=CC=CO4)OC5=CC=CC=C53.Cl Cl- 1 4.243 3 2 8.59306256323255 9551646 C1=CC=C(C=C1)C2=NC3=C(C(=N2)NCCCN4C=CN=C4)OC5=CC=CC=C53.Cl Cl- 1 3.282 5 1 12.1136527863748 9551645 CC1=CC=CC=C1CS(=O)(=O)C2=NN=C(O2)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C 1 4.276 3 5 0 -12.7584533933646 9551644 CCCCC1=CC=C(C=C1)CC2C(=O)N(/C(=C(/C#N)\C(=O)N3CCOCC3)/S2)C4=CC=CC=C4 1 4.901 3 3 -12.1890362101296 9551643 CC1=CC(=O)/C(=C/2\C3=C(C(=O)N(C3C4=CC(=CC=C4)OC)CC5=CN=CC=C5)NN2)/C=C1Cl 1 1.801 4 3 0 -8.16413317347564 9551642 CCC(C)[C@@H](C(=O)OC)NC(=O)NC1CCN(CC1)CC2=CC=CC=C2 1 2.554 3 3 -16.5079295607595 9551641 C1=C/C(=C\2/C3=C(C(=O)N(C3C4=CC(=CC=C4)O)CC5=CC=CO5)NN2)/C(=O)C=C1 1 1.093 3 4 0 -10.4280984527197 9551640 C1=CC=C(C=C1)N2C(=O)/C(=N/NC3=CC=C(C=C3)S(=O)(=O)N)/C(=N2)CSC4=CC=CC=N4 1 2.975 6 3 0 -16.6615438226937 9551639 CC1=CC2=C(C=C1)OCCN2C(=O)CCC(=O)O 1 1.29 1 4 0 -11.0179175951979 9551637 COC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)CC3=CC=CC=C3 1 3.349 1 4 -16.9848648594524 9551636 CCN(CC)CCCNC(=O)C1=CC2=C(C=C1)C(=C3CCCC3=N2)SCC(=O)O 1 0.175 3 3 0 -12.2836266437715 9551635 CC1=CC(=C(C=C1)O)NC(=O)C2CC(=NO2)C3=CC=C(C=C3)F 1 2.832 2 3 0.502791304310184 9551634 CCOC(=O)CNC(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=O)N(C2=O)C)C 1 -0.749 4 7 0 -30.611819841605 9551633 CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=C3CCCCC3=N2)SCC(=O)O 1 4.348 2 3 -14.7345880479183 9551632 C=CCN1C2=CC=CC=C2[C@@]3(C1=O)C4CCCC=C4C(=C(C3(C#N)C#N)N)C#N 1 1.754 5 1 0 -5.15470445855192 9551631 COC1=C(C=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OC)/O)/C(=O)C(=O)N2C4=CC=CC=N4)OC 1 3.292 2 6 0 -10.3562168637698 9551630 CCOC(=O)CNC(=O)C1=CN=CC=C1.Cl Cl- 1 -5.7e-002 2 3 0 -13.6623968728782 9551629 CC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=C(N(N=C3C)C)C 1 2.579 4 5 0 -15.0105433098092 9551628 CC1=C(C(=NN1C)C)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC 1 2.212 4 5 0 -16.7949607605794 9551627 C1=C/C(=C\NCCNC(=O)C2=NON=C2N)/C(=O)C=C1 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CCN(CC)CCOC1=CC2=C(C=C1)N=C(S2)N(C)C.Cl Cl- 1 2.817 3 1 -1.73083857068423 9551616 CC1(C(SC(=S)N1C)/[N+](=C\C2=CC=C(C=C2)Cl)/[O-])C 1 4.209 2 1 -0.196145610152152 9551615 CC1(C(SC(=S)N1C)/[N+](=C\C2=CC=CC=C2)/[O-])C 1 3.544 2 1 -2.19008811782333 9551614 C[N+](C)(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=N2.[I-] I- 1 2.412 3 0 -2.61251552899189 9551613 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC4=C(N3C)C5=CC=CC=C5NC4=O 1 4.379 4 2 -3.30055722737413 9551612 CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)OC)NC(=O)CN3CCN(CC3)C.Cl Cl- 1 1.696 3 5 0 0.27830254001866 9551611 CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)/N=C(/NC3=CC=CC=C3)\[O-] 1 3.756 4 2 -1.17764771025255 9551610 C1CCC(CC1)N2C(=O)[C@@H]3C4C=CC(C3C2=O)C5[C@H]4C(=O)N(C5=O)C6CCCCC6 1 2.425 2 4 -5.52318879059866 9551609 C1CC12C3C=CC2C4[C@H]3C(=O)N(C4=O)CC5=CN=CC=C5 1 0.629 2 2 0 -4.7317933795042 9551608 CCN(CCNC(=O)CN(C)S(=O)(=O)C1=CC=CC2=NSN=C21)C3=CC=CC=C3 1 2.294 5 3 0 -14.9227514925278 9551607 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9551586 C1CN(CCN1CCO)CC(COC2=CC=C(C=C2)Cl)O.Cl Cl- 1 1.523 2 3 0 1.05445536750081 9551585 CN(C)CC1=CC(=NC(=C1O)CCC2=CC=CC=C2)CN(C)C.Cl Cl- 1 3.237 3 1 3.28319724618927 9551584 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CS3)C(=O)N 1 1.815 3 4 0 -19.8255626483001 9551583 COC1=CC=C(C=C1)S(=O)(=O)NCC2=CSC(=N2)C3=CN=CC=C3 1 1.753 3 3 0 -3.84029640926874 9551582 CCS(=O)(=O)NC(C)C(C1=CC=CS1)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.323 3 2 -3.80388415803798 9551581 C1=CSC(=C1)C/C(=N/OC(=O)COC2=C(C=C(C=C2)Cl)Cl)/N 1 3.539 2 3 1.0054888151791 9551580 CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 1.888 4 4 0 -22.5675512949376 9551579 COCCCNC(=O)C1=CC(=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)OC 1 1.29 3 6 0 -16.2800730800643 9551578 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CS3)C(=O)N)C 1 2.076 3 4 0 -23.5851543383327 9551577 COC1=CC=C(C=C1)C2=NC(=CS2)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.937 2 5 0 -5.60116718613809 9551520 CC(C)C1=CC=C(C=C1)C2=NC(=NC3=NNC(=C23)N)N4CCCCCC4 1 3.983 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COC1=CC(=CC(=C1OC)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CN3 1 0.166 4 6 0 -9.8409362592703 9551478 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)NC4=NC=CS4 1 2.482 4 4 0 -24.8157465650407 9551477 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)NC4CCCCC4 1 3.767 3 4 0 -27.4052766203725 9551476 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)NC4CCCCC4C 1 4.086 3 4 0 -29.6252669643966 9551475 CC1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 3.717 4 3 0 -16.1676466859717 9551474 C1=CC=C(C=C1)CCNC(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 3.552 4 3 0 -17.2336865768786 9551473 CCN1CCN(CC1)CCNC(=O)CCCCCN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=O 1 1.612 5 5 0 -21.3831270366122 9551472 CCC(COC(=O)NC)NC(=O)OC1=CC=CC=C1 1 2.33 2 4 -9.48157271120559 9551471 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC1=O 1 3.278 4 5 0 -8.4327643516989 9551470 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC)NC1=O 1 2.275 4 3 0 -9.75165203170235 9551469 CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCOC 1 1.632 3 4 0 -17.4668867442671 9551468 CC(C)C/C(=C/1\C=NC2=CC=CC=C21)/NO 1 2.402 2 1 -1.57012885608776 9551467 CC1=[N+](C=C2COC(OCC2=C1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C)C)C.[I-] I- 1 2.432 2 6 0 -9.91194591641361 9551466 C1=CC=C(C=C1)S(=O)(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.093 3 3 0 -1.0559925023759 9551465 CCOC1=CC=CC=C1NC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)F 1 3.173 2 4 -15.6731563155904 9551464 CCCCOC(=O)C1=C(N=C2N=NNN2C1C3=CC=CC=C3Cl)C 1 4.161 5 2 0 -20.2602640771172 9551463 CC1=CC=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3 1 3.697 2 3 -16.3143787902619 9551462 CCC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CC4=CC=C(C=C4)OC 1 3.565 4 4 0 -13.8102929682671 9551461 CC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4 1 3.379 4 3 0 -15.821643644873 9551460 CC(C)CCNC(=O)CCN1C(=O)C2=CC(=C(C=C2NC1=O)OC)OC 1 1.626 3 5 0 -22.6977907019838 9551459 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)N3CCC(CC3)N4CCCCC4)OC 1 1.279 4 5 0 -13.3970585491067 9551458 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)NC4CCCC4)OC 1 2.931 3 5 0 -12.6263358280338 9551456 CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC(=C(C=C4NC3=O)OC)OC 1 2.041 4 5 0 -10.2531146692233 9551455 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCCCC(=O)NCCC3=CNC4=CC=CC=C43)OC 1 3.477 4 5 0 -22.191642767552 9551454 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCCCC(=O)N3CCC(=CC3)C4=CC=CC=C4)OC 1 3.571 3 5 0 -15.6564545645229 9551453 COC1=CC=CC(=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.86 3 4 0 -17.2414605132399 9551452 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O 1 1.8 4 3 0 -10.7576155897074 9551451 CC1CC(CN(C1)CCCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)C 1 1.057 4 3 0 -23.7118186312507 9551450 CCN(C1=CC=CC(=C1)C)C(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=C4 1 4.237 3 3 -9.45147886999778 9551449 C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=C(C=CS4)NC3=O 1 3.726 3 3 -19.1357245202768 9551448 CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5)NC2=O 1 3.735 4 3 0 -7.64649748130899 9551447 CC1=C(SC2=C1C(=O)N3C=CC=C(C3=N2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)Cl)C 1 3.423 4 2 -9.21379372186035 9551446 CC1=CC=C(C=C1)N2C=C(N(C2=O)CC(=O)NC3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC 1 3.417 3 4 0 -7.27664373635446 9551445 CC1=CC=C(C=C1)N2C=C(N(C2=O)CC(=O)NC3=CC(=CC=C3)F)C4=CC=C(C=C4)OC 1 3.639 3 3 -4.65931912850646 9551444 C1CCN(C1)CCCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)NCC5CCCO5 1 3.47 4 3 0 -22.8372040589813 9551443 CC1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)C(C(=O)C)C(=O)OC 1 2.566 1 6 0 -5.46135355361485 9551442 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)NC(=O)OCCCl)C 1 2.637 3 4 0 -7.4763420966342 9551441 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCC4(CC3)OCCO4)C(=O)NCC5=CN=CC=C5 1 1.733 3 6 0 -16.5466406301356 9551440 CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCOCC4)C 1 2.993 2 5 0 -12.6730166722877 9551439 CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.586 3 3 -9.75495078367616 9551438 C1=CC(=CC=C1CNC(=O)CCCCCN2C(=O)C3=C(C=CS3)NC2=O)F 1 3.054 3 3 -17.2542640558678 9551437 CCOC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=C(C=CS3)NC2=O 1 1.94 3 4 0 -13.2063345793486 9551436 COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)C4=C(C=CS4)NC3=O 1 1.602 4 4 0 -9.93960613220894 9551435 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CN3C(=O)C4=C(C=CS4)NC3=O 1 2.482 4 3 0 -13.860075197772 9551433 CC1=C(C(=NC2=NC(=NN12)SCC(=O)NCCN3CCOCC3)C)CC4=CC=CC=C4 1 2.729 6 2 0 -22.4610760146305 9551432 CC1=C(C(=NC2=NC(=NN12)SCC(=O)N3CCC4(CC3)OCCO4)C)CC5=CC=CC=C5 1 3.173 5 3 0 -19.805065117918 9551431 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)NCCOC)Br 1 1.349 2 5 0 -27.0564954364865 9551430 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)NC1=O 1 2.528 3 4 0 -15.6950416361834 9551429 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)NC1=O 1 3.635 3 5 0 -17.3675562431711 9551428 CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=CSC(=N3)NC(=O)CCC(=O)NC4CCCC4 1 3.082 3 5 0 -11.0319362540606 9551427 CN(CC(=O)NCC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.441 3 3 -14.3055682142769 9551426 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=C(C(=O)N4)C5=CC=CC=C5NC(=O)C 1 3.643 5 3 0 -12.141368205786 9551425 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N4CCC5=CC=CC=C5C4 1 2.048 3 5 0 -22.8814154115259 9551424 CC1=C(C(=CC=C1)C)NC(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O 1 2.814 4 2 -10.2570528105759 9551423 C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CO4)C(=O)C5=CC=CC=C5 1 1.405 6 3 0 -8.28298446398781 9551422 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CSCC(=O)O 1 2.707 1 3 7.56023131620427 9551421 CC1=C(N=C(O1)C2=CC=CC=C2)CS(=O)CC(=O)O 1 0.931 1 4 0 10.9863202633125 9551420 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)N(C(=O)C1=O)C 1 1.414 4 4 0 -11.9918598894059 9551419 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC(F)(F)F)N(C(=O)C1=O)C 1 3.07 3 5 0 -0.869739042383977 9551418 CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C(=O)N4C)C 1 2.072 4 4 0 -20.4450194848291 9551417 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=CC=CS4 1 1.636 3 4 0 -25.0023204682542 9551416 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCCN(C)CCC4=CC=CC=C4 1 2.356 4 4 0 -20.0836056745505 9551415 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4=CC=C(C=C4)F 1 2.558 3 4 0 -21.7966601147799 9551414 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4COC5=CC=CC=C5O4 1 2.232 3 6 0 -22.9421304894148 9551413 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.552 3 6 0 -16.8071445202163 9551412 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)N4CCC5=CC=CC=C54 1 2.518 3 4 0 -23.3889194431696 9551411 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4=CC=CC=C4Cl 1 3.365 3 4 0 -22.5376926161775 9551410 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)NCC3=CC4=C(C=C3)OCO4)CC=C 1 2.518 3 6 0 -25.1079561634103 9551409 CN(CC1=CC=CO1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCC(=O)O 1 0.958 2 6 0 -23.4965777305176 9551408 CCCCN(CC)CC1=CC=C(O1)CNC(=O)NC2=CC=C(C=C2)OCC 1 3.873 3 3 -7.35084303660673 9551407 C1=CC=C(C=C1)CSCC(C(=O)NN/C=C/2\C=CC(=O)C=C2O)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.756 4 6 0 -17.835532081332 9551406 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NC(C(C)C)C(=O)OC 1 1.539 5 3 0 -33.453808952131 9551405 CCOC(=O)C1CCN(CC1)C(=O)CCC2=C(N3C(=NC=N3)N=C2C)C 1 1.387 5 3 0 -21.9901099339145 9551404 CCOC(CNC(=O)CCC1=C(N2C(=NC=N2)N=C1C)C)OCC 1 1.14 5 3 0 -25.2994109981958 9551403 CC1CC(CN(C1)C(=O)CCC2=C(N3C(=NC=N3)N=C2C)C)C 1 2.266 5 1 -20.7507804052613 9551402 CC1=C(C(=NC2=NC(=NN12)C3=CC(=CC(=C3)OC)OC)C)CCC(=O)NCC4=CC=CC=C4 1 3.675 5 3 0 -20.1028942956396 9551401 CCCCNC(=O)CCC1=C(N2C(=NC(=N2)C3=CC(=CC(=C3)OC)OC)N=C1C)C 1 3.42 5 3 0 -21.8641984967059 9551400 CCC(C)NC(=O)CCC1=C(N2C(=NC(=N2)C3=CC(=CC(=C3)OC)OC)N=C1C)C 1 3.342 5 3 0 -24.3219395175781 9551399 CC1=C(C(=NC2=NC(=NN12)C)C)CCC(=O)NC3=CC=C(C=C3)OC 1 2.02 5 2 0 -15.304284847677 9551398 CC1=C(C(=NC2=NC(=NN12)C)C)CCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.296 6 1 0 -11.2581306376991 9551397 CCOC(CNC(=O)CCC1=C(N2C(=NC(=N2)C)N=C1C)C)OCC 1 1.096 5 3 0 -21.8264812070166 9551396 COC1=C(C=C(C=C1)CCNC(=O)C2CC(=O)N(C2)C3CCCCCCC3)OC 1 3.375 2 4 -20.4867657342394 9551395 C1CN(CCN1CCCNC(=O)CCS(=O)(=O)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3F 1 3.371 3 3 -9.10025336381165 9551394 C1CCCC(CC1)N2CC(CC2=O)C(=O)NCCCN3CCC(CC3)CC4=CC=CC=C4 1 3.906 3 2 -12.848188059486 9551393 CCCCNC(=O)C1=CC(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C 1 3.254 2 4 -19.5622730674562 9551392 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CN(C4=C(C3=O)C=C(C=C4)S(=O)(=O)N(C)C)C 1 2.659 4 4 0 -11.6637088819614 9551391 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N(CC(=O)NC2CCCC2)C3=CC=C(C=C3)OC 1 0.345 4 6 0 -25.5338583169586 9551390 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=C(C=C3)OC 1 0.522 4 6 0 -23.8122187420656 9551389 CCOC1=CC=C(C=C1)N(CC(=O)NC2CCCCCC2)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 1.606 4 6 0 -26.6545499828347 9551388 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C(C)C)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 3.79 5 4 0 -16.2229012611143 9551387 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C(C)C)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 3.944 5 3 0 -12.5487411196734 9551386 CC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.047 4 4 0 -13.6831794414497 9551385 CC1CCCCC1NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.908 4 3 0 -15.6245350665747 9551384 CC1=C(C=CC=C1NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43)C(=O)O 1 2.423 4 5 0 -12.7962459432287 9551383 CCOC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4 1 3.181 5 2 0 -7.04884197583899 9551382 CSC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4 1 3.39 5 1 -3.66453567451701 9551381 CC1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5 1 4.121 4 1 -1.07974778439648 9551380 C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=C(S4)N5CCOCC5 1 3.756 3 2 -1.0913142650608 9551379 C1CN(CCC1C(=O)NCCN2CCOCC2)C3=NC=NC4=C3SC5=CC=CC(=C54)F 1 2.334 5 2 0 -4.60878519471934 9551378 CCCN(CCC)C(=O)CN1C2=C(SC(=S)N2C3=C(C1=O)SC=C3)C4=CC=CC=C4 1 5.652 3 2 -13.8105417612249 9551377 CCC1CCCCN1C(=O)CN2C3=C(SC(=S)N3C4=C(C2=O)SC=C4)C5=CC=CC=C5 1 5.725 3 2 -13.524616044154 9551376 CC1=CC=C(C=C1)CSC2=NC3=C(N2CC4=C(OC(=N4)C5=CC(=C(C=C5)OC)OC)C)C=NC=C3 1 5.287 4 3 0 0.767914701458609 9551375 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CN3C4=C(C=CN=C4)N=C3SCC5=CC=C(C=C5)F 1 5.007 4 3 0 1.66808832125767 9551374 CC(C)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(N2C)C=CS3 1 4.294 3 1 -6.41102794242317 9551373 CC1CCC2=NN(C=C2C1)CC(=O)N3CCC4=CC=CC=C43 1 3.169 3 1 -14.0891871054017 9551372 CCN1CCN(CC1)C(=O)CCCN2C(=C3C=NN(C(=O)C3=C2C)C4=CC=CC=C4)C 1 2.367 5 2 0 -12.712134141886 9551371 CC1=CC=C(C=C1)CCNC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCC4 1 3.029 3 3 -12.1009854637652 9551370 CCC(CC1=CC=CC=C1)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCC4 1 3.444 3 3 -8.45038408674988 9551369 CC1=CN=C(C=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 1 2.91 4 4 0 -21.8902791532568 9551368 CC1=CN=C(C=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5 1 4.14 4 3 0 -19.9320964318071 9551367 C1CN(CCN1C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54 1 3.483 5 3 0 -12.4270999484907 9551366 CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(ON=C2C)/C=C\C3=CC=C(C=C3)OC 1 2.497 3 5 0 -15.4799204602707 9551365 CCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(ON=C2C)/C=C\C3=CC=C(C=C3)OC 1 2.953 3 5 0 -16.1858017590823 9551364 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C43)/C=C/C5=CC=CO5 1 2.893 3 5 0 -15.2994504047271 9551363 CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)/C=C/C4=CC=CO4 1 3.106 3 5 0 -13.4068047854826 9551362 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4CCCCC4)N(C(=O)C1=O)C 1 1.395 4 4 0 -13.3423698992499 9551361 CC1=CC(=CC=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C(=O)N3C)C 1 1.764 3 4 0 -4.61977539274411 9551360 CCN(C1=CC=C(C=C1)OCC)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C(=O)N3C)C 1 1.837 3 5 0 -11.5213197045148 9551359 CC1=C(C(=NN1C)C)S(=O)(=O)N(CC(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)OC 1 2.228 4 4 0 -16.7834567231414 9551358 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCN3CCN(CC3)C4=CC=CC=C4)OC1=O 1 2.225 4 4 0 -1.77513026249921 9551357 CC(C)OC1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3OC2=O 1 2.899 2 4 -10.795471476182 9551356 CC1=CC2=C(O1)C=C(N2CC3=C(C=CC=C3Cl)F)C(=O)N4CCC(CC4)C(=O)N5CCCC5 1 4.375 3 3 -9.79169154338402 9551355 CC1CCCCN1C2=NN=C(S2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br 1 3.908 5 2 0 -9.14043072739362 9551354 C1=CC(=CC=C1CSC2=NC3=C(N2)C=NC=C3)Cl 1 3.526 3 0 -1.50823933524768 9551353 CN(C)C1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O 1 3.149 4 2 -16.5420988276721 9551352 COC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCOCC4)OC 1 1.249 3 6 0 -10.2574681948986 9551351 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C54 1 3.044 3 3 -12.761758567145 9551350 COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)NC4CCCCC4)OC 1 2.884 3 5 0 -12.2545575602208 9551349 CCNC(=O)/C=C\1/C2=C(CC(N1)(C)C)C3=CC=CC=C3C=C2 1 2.655 2 1 -6.49273583907326 9551348 CN(CCCNS(=O)(=O)C1=CC=CC2=C1N=CC=C2)CC3=CC=CC=C3 1 2.712 3 2 -6.82683994473757 9551347 COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2 1 0.808 2 5 0 -11.0853810075904 9551346 CCC1=C(SC(=C1C#N)NC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2)C 1 1.705 3 3 0 -12.443788362006 9551345 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4 1 1.662 4 4 0 -13.5694803729998 9551344 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CN=CC=C4 1 1.976 4 3 0 -10.8727178427836 9551343 C1CN(CCC1C(=O)NC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CN=CC=C3 1 1.923 3 3 0 -11.6847095687612 9551342 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=CO5 1 2.224 3 5 0 -21.1269669820805 9551341 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC=CO4 1 3.234 3 4 0 -14.8427912249075 9551340 CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=O)N3C(=N2)C(=CN3)C(=O)NCCOC 1 -0.474 5 5 0 -17.397284988715 9551339 CC1=C(N=C(O1)C2=CC=CC=C2)CN3C(=CC4=C3C=C(S4)Cl)C(=O)OC 1 4.655 2 3 8.76903019834197 9551338 CC1=CC=CC(=C1)C2=NC(=C(O2)C)CN3C(=CC4=C3C=C(S4)Cl)C(=O)OC 1 5.141 2 3 11.821508446432 9551337 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CN3C(=CC4=C3SC=C4)C(=O)OC 1 4.447 2 3 9.78609808538876 9551336 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3C(=CC4=C3SC=C4)C(=O)OC 1 4.447 2 3 11.109103067864 9551335 C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3 1 1.827 3 3 0 -24.7040485000074 9551334 CC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(C=C2)SCC(=O)N3C)C 1 3.049 3 2 -7.96394369271644 9551333 CCOC1=CC(=C(C=C1)OCC)NC(=O)NC2=CC3=C(C=C2)SCC(=O)N3C 1 2.741 3 4 0 -12.7903612276474 9551332 CCC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)SCC(=O)N3C 1 3.019 3 2 -7.89833764009681 9551331 CC1=NC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)SCC(=O)N3C 1 1.748 4 2 0 -7.31012769235279 9551330 CC12CC3CC(C1)(CC(C3)(C2)CN)C.Cl Cl- 1 2.239 1 0 0.82671945312992 9551329 CC1=CC=CC(=C1)C2=NC(=C(O2)C)CSCC(=O)NCC3=CC=CS3 1 3.431 2 2 -0.150389564793297 9551328 CC1=C(N=C(O1)C2=CC=CS2)CSCC(=O)NC3CC3 1 2.064 2 2 -4.82044895547398 9551327 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NC3=CC(=C(C=C3)OC)Cl 1 4.193 1 4 -6.20278328743069 9551326 CC1=NC2=C(C(=NN2C(=C1)N3CCC4(CC3)OCCO4)C)C5=CC(=C(C=C5)OC)OC 1 2.92 4 4 0 -10.1891232597138 9551325 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N(C)CC3=CC=CC=C3 1 1.995 2 3 0 -8.00482898255536 9551324 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N(CC)CC3=CC=CC=C3 1 2.693 2 3 -9.62601094252244 9551323 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NC(C)C3=CC4=C(C=C3)OCCO4 1 2.301 2 5 0 -10.8046866853925 9551322 CN1CCN(CC1)C(=O)CCCOC2=CC(=O)N(C3=CC=CC=C32)C 1 0.938 3 3 0 -6.26694454437575 9551321 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)NCC3=CC=CC=C3OC 1 2.342 2 4 -15.3538249489557 9551320 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)NCC3=CC=C(C=C3)OC 1 2.342 2 4 -13.0711541208774 9551319 CCOC1=CC=C(C=C1)CNC(=O)CCCOC2=CC(=O)N(C3=CC=CC=C32)C 1 2.691 2 4 -13.6279926639664 9551318 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)F)C)CCC(=O)NCC(OC)OC 1 2.311 4 3 0 -19.6766625173948 9551317 CC1=C(C(=NC2=CC(=NN12)C3=C(C=C(C=C3)OC)OC)C)CCC(=O)N4CCC5(CC4)OCCO5 1 2.552 4 5 0 -15.4406449461113 9551316 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NCCC3=CC=CC=C3 1 2.409 5 1 -23.7700861388761 9551315 CC1=CC(=CC=C1)CCNC(=O)CCC2=C(N3C(=NC=N3)N=C2C)C 1 2.895 5 1 -21.884466459188 9551314 CCOC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=CC=C3)CCO.Br Br- 1 3.38 2 2 0.773304400789703 9551313 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C1=CC=C(C=C1)CN2C(=NC3=C2N=CC=C3)CCC(=O)NCCC4=CC=C(C=C4)Cl 1 4.436 4 1 -14.2324311967237 9551262 CCOC1=CC=C(C=C1)C2=NN3C=C(C(=NC3=C2)C4CCN(CC4)C(=O)OC(C)(C)C)C(=O)OCC 1 4.329 4 5 0 -8.23870275849237 9551261 C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)SCC(=O)NCC4=CC=CO4 1 4.567 2 2 -7.72662547113746 9551260 CC(C1=CC2=CC=CC=C2O1)N(CCCN3CCOCC3)C(=O)NC4=CC(=CC=C4)OC 1 3.473 3 4 0 -2.72334476972702e-002 9551259 CCCCN(C1CCN(CC1)C(=O)C)C(=O)NC2=CC=C(C=C2)OCC 1 2.183 3 3 -8.61686130424053 9551258 CC1CCN(CC1)CCCNC(=O)C2=CC=C(O2)CSCC3=CC(=CC=C3)Cl 1 4.678 2 2 -11.0404862875583 9551257 CC1=CC(=CC=C1)CN2CCN(C2=O)CC(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F 1 2.765 5 2 0 -9.36304831801739 9551256 C1CCCC(CCC1)NC(=O)CN2CCCN(C2=O)CC3=C(C=C(C=C3)F)Cl 1 3.946 3 2 -10.8529289551985 9551255 C1CN(CCN1CCCNC(=O)CN2CCN(C2=O)CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F 1 2.943 5 2 0 -8.37122788538944 9551254 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C 1 1.276 3 2 0 -6.00056223619861 9551253 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.153 3 2 -4.46317829140649 9551252 CCN1CCN(CC1)C(=O)CSC2=CC(=O)N(C3=CC=CC=C32)CC 1 1.625 3 2 0 -7.47739604590052 9551251 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3=CC(=CC=C3)SC 1 3.231 2 2 -5.13087104188765 9551250 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CC=C(C=C3)C 1 3.182 2 2 -11.2921375183786 9551249 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3OC2=NC4=CC5=C(C=C4)OCO5 1 4.798 1 5 -0.980083695858864 9551248 C1CN2C(=NC3=CC=CC=C32)CN1C(=O)NC4=CC=CC=C4Cl 1 3.133 4 1 -4.5095259245455 9551223 CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)OC 1 1.201 4 4 0 -17.428182912018 9551222 CC1=CC=C(C=C1)N(CC(=O)N2CCC3=CC=CC=C32)S(=O)(=O)C4=CC=CS4 1 3.713 2 3 -17.279914229777 9551221 CC1=CC=C(C=C1)N(CC(=O)NC(C)C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 3.817 2 3 -16.868370399433 9551220 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCC4=CC=CC=C4Cl 1 3.138 4 3 0 -18.0367847787592 9551219 CC1CCCN(C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.332 4 3 0 -16.0768706582319 9551218 CCCNC(=O)CCC1=C(N2C(=NC(=N2)C3=CC(=CC(=C3)OC)OC)N=C1C)C 1 2.964 5 3 0 -21.1583171978943 9551217 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F 1 3.547 4 4 0 -9.14569914710303 9551216 COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC2=S 1 2.61 4 5 0 -26.7596342990787 9551215 COC1=CC(=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)NC2=S)OC 1 3.659 3 5 0 -16.5759458431379 9551214 COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC2=S)OC 1 2.61 4 5 0 -28.8404222597426 9551213 CN(C)CCNC(=O)CCCNC(=O)CN1C=NC2=C(C1=O)C3=C(S2)CCCC3 1 0.953 5 3 0 -31.3495463705385 9551211 COC1=CC(=CC(=C1OC)OC)NC(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.851 4 6 0 -23.2094180497073 9551210 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4=CC=CO4)OC 1 1.762 4 6 0 -18.0260892014833 9551209 COCCNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=C(C=C3)OC)Cl 1 1.547 4 5 0 -20.3088411997994 9551208 CCC(C)NC(=O)C1C(N(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC 1 4.622 2 4 -12.5537768890871 9551206 CCCCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC 1 4.701 2 4 -12.6991223005294 9551205 CC12CC(C3=CC=CC=C3O1)NC(=O)N2C4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)OC 1 3.547 3 4 0 -10.3520814216819 9551204 CC12CC(C3=CC=CC=C3O1)NC(=O)N2C4=CC=CC(=C4)C(=O)N(C)CC5=CC=CC=C5 1 3.777 3 3 -10.1145796428742 9551202 CC1=CC=CC=C1N/C(=C(/C#N)\C(=O)NCC2=CC=CO2)/SCC3=CC=C(C=C3)Cl 1 5.408 3 2 -26.6896983680114 9551201 COC1=CC=CC(=C1)N/C(=C(/C#N)\C(=O)N)/SC 1 1.687 3 2 0 -13.1588925416426 9551200 CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=CC=C4 1 3.808 3 4 0 -24.8540361165108 9551199 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CN4C3=NC5=CC6=CC=CC=C6C=C5C4=O 1 3.249 4 2 -7.56879801171487 9551198 COC1=CC=C(C=C1)C2C(CC(=O)N2C3=CC=C(C=C3)OC)C(=O)N4CCCCC4 1 3.012 2 4 -7.29036407744002 9551197 CC1=CC2=C(C=C1)N=C(C3=NN=NN23)N4CCN(CC4)C5=CC=CC(=C5C)C 1 3.405 7 0 0 2.26888852693005 9551196 CCC1=CC=C(C=C1)NC(=O)CCN2C=CN=C2C 1 2.01 3 1 -6.36934514875491 9551195 CC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)N4CCN(CC4)CC5=CC=CC=C5 1 4.809 3 1 2.18024660980641 9551194 CCN1CCN(CC1)C(=O)C2=CC3=C(S2)N=C4C=C(C=CC4=C3)OC 1 3.072 3 2 -2.28715264018313 9551193 CCC1=NC2=C(C=CC(=C2)C(=O)NCCCOC)SC3=CC=CC=C31 1 3.501 2 2 -13.8512185791188 9551192 CCC1=NC2=C(C=CC(=C2)C(=O)NCCCOC(C)C)SC3=CC=CC=C31 1 4.228 2 2 -15.1094264273076 9551191 CC1=CC(=CC=C1)CN2CCN(C2=O)CC(=O)N3CCC4(CC3)OCCO4 1 1 3 4 0 -14.3891396078319 9551190 CCOC1=C(C=C(C=C1)CCNC(=O)CN2CCN(C2=O)CC3=CC=CC=C3F)OCC 1 3.018 3 4 0 -20.46153144417 9551189 C1CN(C(=O)N1CC2=C(C=C(C=C2)F)Cl)CC(=O)NCCC3=CC=C(C=C3)Cl 1 3.682 3 2 -11.1446752749435 9551188 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CC3=CN(C4=CC=CC=C43)C 1 4.38 3 1 -3.72102957549269 9551187 CC1=CC(=NC2=NC(=C(N12)NC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)C 1 4.572 4 2 -3.65978260325356 9551186 COC1=CC=C(C=C1)C2C3=CC=CN3C4=CC=CC=C4CN2.Cl Cl- 1 3.777 2 1 -7.59669365670439 9551185 CC1=NC(=CS1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C.Cl Cl- 1 3.116 3 1 0.386599388987619 9551184 CCOCCCNC(=O)C(C1=CC=C(C=C1)C)NC(=O)CNC(=O)C 1 -2.2e-002 3 4 0 -20.8449740611353 9551183 CCOCCCNC(=O)C(C1=CC=C(C=C1)C)NC(=O)CNC(=O)C2=CC=CC=C2 1 1.643 3 4 0 -22.8969372563649 9551182 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=C(N=CC=C4)Cl)C(=C2)C 1 3.397 5 1 -0.143114588968644 9551181 COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=C(C=C5)F 1 3.738 3 3 -2.93976343363148 9551180 CC1=CC(=C(C=C1)OC)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 2.28 3 5 0 -13.625279483683 9551179 CCCCN(CC)CCCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)CC3=CN=CC=C3 1 2.526 5 2 0 -20.041351310267 9551178 CC1=CN=C(C=C1)NC(=O)CSCCC2=CC=CC=N2 1 2.202 3 1 -11.4042272021826 9551177 COCCCNC(=O)C1CC(=O)OC1C2=CC(=C(C=C2)OC)OC 1 0.685 1 6 0 -15.9923607395164 9551176 C1=CC=C(C=C1)CCNC(=O)CSC2=C(SC=C2)[N+](=O)[O-] 1 3.017 2 3 -14.1863036864653 9551175 CCC(CC1=CC=CC=C1)NC(=O)CSC2=C(SC=C2)[N+](=O)[O-] 1 3.918 2 3 -11.0283965870883 9551174 CCCNC(=O)CC1C(=O)N(C(C2=NC3=CC=CC=C3N12)C)CC4=CC=CC=C4 1 3.147 4 2 -17.3886582959424 9551173 CC1=CC=C(C=C1)/C=C(/C#N)\C(=O)NC(=O)OC2=CC=CC=C2 1 3.835 2 3 -10.8619723612894 9551172 CCC(C)(C(=O)NC1CCCCC1)N(C2=CC=CC=C2)C(=O)C3CCC(=O)N3 1 2.844 3 3 -22.3258390268793 9551171 CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C3=NC(C(=O)N31)C4=CC=CC=C4 1 3.995 4 2 -24.1976474147844 9551170 CC1COC(=N1)C2=CC=CN2CC3=CC=C(C=C3)C 1 3.802 2 1 -4.33098554940408 9551169 CC1(COC(=N1)C2=CC=CN2CC3=CC=CC=C3Cl)C 1 4.185 2 1 -2.29493045637904 9551168 CC1=C(N=C(O1)C2=CC=CC=C2Cl)CN3C=CC=C3C4=NC(CO4)C5=CC=CC=C5 1 5.398 3 2 8.6669562859828 9551167 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NCC3=CC=CS3)C 1 2.432 2 4 -29.6452992976462 9551166 CCOC(=O)C1CCN(CC1)C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 0.947 2 6 0 -26.9225104032904 9551165 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NCCC3=CC=CC=C3 1 2.636 2 4 -29.2717272043589 9551164 C1CCC2=C(C1)C3=C(S2)N=C4C(=CC=CN4C3=O)C(=O)NCC5=CC=CO5 1 2.44 3 3 -25.8063067782286 9551163 C1CCC2=C(C1)C3=C(S2)N=C4C(=CC=CN4C3=O)C(=O)NCC5=CN=CC=C5 1 2.108 4 2 -26.1757095040953 9551162 CCOC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CO3)N 1 0.761 6 4 0 -24.4015472064106 9551161 CCOC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)N 1 1.867 6 5 0 -25.8631809605417 9551160 COC1=CC(=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CO3)N)OC 1 0.395 6 5 0 -27.7910361497395 9551159 COC1=CC2=CC3=C(N=C2C=C1)OC(=C3)C(=O)NC4=CC(=C(C=C4)OC)OC 1 3.545 2 5 0 -4.18394399981048 9551158 COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC 1 3.529 2 6 0 -5.13155486360294 9551157 CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)N=C4C=C(C=CC4=C3)OC 1 3.911 2 4 -1.46392954008701 9551156 CC1=C(C=C(C=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4Cl)C)C 1 4.599 4 1 -6.90599749451535 9551155 C1C(ON=C1C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=N3 1 1.659 3 2 0 -8.73477538077444 9551154 COC1=CC(=C(C=C1)OC)C2=NOC(C2)C(=O)NC3=CC=CC=C3SC 1 2.891 2 4 -10.6108439504641 9551153 COC1=CC(=CC(=C1OC)OC)C2=NOC(C2)C(=O)NCC3=CC=CS3 1 2.08 2 5 0 -13.6022798116432 9551152 CCOC1=CC=CC=C1CNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.216 3 4 0 -24.2217598373541 9551151 CC1=CC(=CC=C1)CN2CCC(CC2)CNC(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O 1 2.059 4 3 0 -15.7082190956974 9551150 CCCN1CCN(CC1)CCCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.331 5 3 0 -18.8858886431322 9551149 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3=CC=C(C=C3)Cl 1 3.354 2 2 -5.59507520244223 9551148 CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C3=NC(C(=O)N31)C4=CC=CC=C4 1 3.649 4 2 -20.6675464665897 9551147 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C4C(=CC=C3)CN(C4=O)C5CCCCC5 1 4.13 3 4 0 -21.9788532987005 9551146 C1CN(CCN1CCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4NC3=O)CC5=CC=CC=C5 1 3.435 4 2 -10.9443656952863 9551145 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)NC4CCCCCC4 1 3.556 3 4 0 -25.4681880100144 9551144 CC1=CC(=NC=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)C 1 2.693 4 4 0 -21.2628535141154 9551143 CC(C)CC(C(=O)NC1=CC(=C(C=C1)OC)OC)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 2.461 3 6 0 -32.7752061769605 9551142 CCCCCCCCNC(=O)CC(C(C)C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C 1 3.543 3 4 0 -24.7921821957076 9551141 CCCCCCCNC(=O)CC(C(C)C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C 1 3.087 3 4 0 -24.7921821957076 9551140 COC1=CC(=CC(=C1OC)OC)C2=NOC(C2)C(=O)NCC3=CC=CC=N3 1 1.404 3 5 0 -12.9587815629138 9551139 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CCCC5=CC=CC=C54 1 4.351 5 0 2.05577111717363 9551138 CC1=CC=CC(=C1)C2=[N+](C(=C(O2)C)C)[O-].Cl Cl- 1 1.722 1 2 0 5.52189070609219 9551137 COC(=O)CN1C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3 1 3.998 2 2 1.9275961202501 9551136 CC1=CC=C(N1C2=NC(=S)NN2)C 1 2.058 4 0 -4.81258652145022 9551135 CCCCCCCCNC(=O)CCNC(=O)C1=CC=C(C=C1)C(C)(C)C 1 4.9 2 2 -15.6623131937644 9551134 COC(=O)C1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 2.45 1 5 -18.4919893827378 9551133 COC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 2.45 1 5 -14.4698079345703 9551132 CCOC1=CC(=C(C=C1)OCC)NC(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 3.259 1 5 -15.3216829101957 9551131 C1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 2.602 1 3 -17.3820223902279 9551130 C1=CSC(=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)F 1 3.024 2 4 -19.303551412958 9551129 C1=CC(=CC(=C1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)F)C(F)(F)F 1 4.454 2 2 2.56486318501285 9551128 C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CC=C4 1 2.867 4 4 0 -36.134022014124 9551127 C1CC(OC1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4 1 3.48 3 4 0 -29.8131085248509 9551126 COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3CCCCC3)CC4=CC=CO4 1 2.997 4 5 0 -31.9823604167084 9551125 CC1(CC2=C(C(=O)C1)C(C(=O)N2CC3=CC=CC=C3)(C(F)(F)F)O)C 1 2.375 1 3 -7.47359530833563 9551124 CC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CO3)N 1 0.914 6 3 0 -23.2223578455585 9551123 CCN(C1=CC=CC(=C1)C)C2=NC3=C(C(=O)S2)SC=C3 1 4.601 2 1 -9.52824024565423 9551122 CC1CCCCN1C(=S)NC2=C(SC=C2)C(=O)OC 1 4.151 2 2 -12.7926996493814 9551121 COC(=O)C1=C(C=CS1)NC(=S)N2CCCCC2 1 3.774 2 2 -14.624995817574 9551120 CCOC(=O)CN1C(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)NC1=S 1 3.457 2 4 -1.67218074662339 9551119 CCCCCOC(=O)C1=C(N=C2N=NNN2C1C3=CC=CC=C3Cl)C 1 4.617 5 2 0 -19.5661946632504 9551118 C1=CC(=CC=C1C2C3(C(NC(=S)N2)C4=CC=C(C=C4)F)C(=O)NC(=S)NC3=O)F 1 3.559 4 2 -2.71457413990583 9551117 CCN(CC)C(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC(=CC=C4)OC)C 1 3.364 4 2 -15.7417185522665 9551116 CC1=CC2=C(C=C1)OCC(=O)N2CCC(=O)NC(C)C 1 1.346 2 3 0 -17.7681444021709 9551115 CCN1CCN(CC1)C(=O)COC2=CC3=C(C=C2)OC4(CCN(CC4)C(=O)C)CC3=O 1 0.269 3 5 0 -13.2504556515398 9551114 CC(C)CCNC(=O)COC1=CC2=C(C=C1)OC(CC2=O)(C)C 1 2.694 1 4 -19.8175996310993 9551113 C1CCCC(CC1)NC(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 3.333 1 3 -14.7009654982678 9551112 CCOC(=O)C1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 2.799 1 5 -16.6231097002401 9551111 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3Cl 1 0.386 4 5 0 -26.9488730048953 9551110 CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 0.208 4 5 0 -25.7735301687456 9551109 C1=CC=C(C=C1)CN/C=C\2/C(=O)OC(=N2)C3=CC=CC4=CC=CC=C43 1 3.291 2 2 -7.069525449522 9551108 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)O 1 2.528 0 5 -8.70719648806268 9551107 CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCCC3=CC=CC=C3)F 1 2.421 3 5 0 -12.1929941983674 9551106 C1CCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4CCCO4)C(=O)N2CC5=CC=CO5 1 2.295 4 5 0 -31.3104792732688 9551105 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)N4CCCC4 1 3.501 4 4 0 -26.3788468823268 9551104 CC(C)C1=CC(=NO1)C(=O)NC2=C(C=CC(=C2)Br)O 1 3.278 2 3 -5.61769956057018 9551103 CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NON=C32 1 1.1 4 4 0 -16.0879814888748 9551102 C1CN(CCC1C(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC=CC4=NON=C43 1 0.623 5 4 0 -9.87605482562488 9551101 C1CN(CCN1C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5 1 4.681 4 2 -3.22496212277134 9551100 CC1=CN2C(=NC(=C2NC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5O)C=C1 1 4.636 3 3 0.382414749684467 9551099 C1CN(CCC1C(=O)NCCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(S3)Br 1 3.55 2 3 -14.462963177513 9551098 C1CN(CCC1C(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Br 1 2.886 2 3 -17.0997767728794 9551097 CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 6.6e-002 4 5 0 -16.9267599068553 9551096 CC1=CC=C(C=C1)CNC(=O)C(CCSC)NS(=O)(=O)C2=CC=CS2 1 2.468 2 3 -22.2371476003164 9551095 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(S2)Br 1 2.142 2 5 0 -13.346193898552 9551094 CC1=C(C=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(S2)Br)F 1 2.629 2 3 -7.18037966400469 9551093 CC1=CC=CC=C1CSC2=NC(=O)C3=C(N2)CCCC3 1 4.092 2 1 -17.6792980788323 9551092 CC1=CC(=CC=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl 1 3.373 3 3 -2.15123968388417 9551091 CN(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)S(=O)(=O)C3=CN=CN3 1 -0.163 5 4 0 -3.0146196727891 9551090 CN(CC(=O)N1CCN(CC1)C2=CC=CC=C2F)S(=O)(=O)C3=CN=CN3 1 5.9e-002 5 3 0 -2.0284421171309 9551089 CC1=CC(=C(C=C1)OC)NC(=O)CN(C)S(=O)(=O)C2=CN=CN2 1 6.4e-002 4 4 0 -8.37716494862588 9551088 CSC1=CC=C(C=C1)NC(=O)N2CCC(=CC2)N3C4=CC=CC=C4NC3=O 1 2.392 4 2 -6.57506829289176 9551087 CC1CCCCC1NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3 1 3.805 2 3 -18.8826053565562 9551086 CC1=C(C(=CC=C1)C)N=C2/C(=C\3/C=CC(=O)C(=C3)OC)/NC4=CNC=CN42 1 1.04 4 2 0 -4.43503143289299 9551085 CC(C)C1=CC=C(C=C1)N=C2/C(=C\3/C=CC(=O)C(=C3)OC)/NC4=CNC=CN42 1 1.262 4 2 0 -1.84180651552853 9551084 C1COC2=C(O1)C=CC(=C2)N=C3/C(=C\4/C=CC=CC4=O)/NC5=CNC=CN53 1 0.166 4 3 0 -6.5526728273258 9551083 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=C(NC4=CC=CC=C43)C(=O)O 1 4.273 3 3 -3.42264684442694 9551082 CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)NCCC(C)C)CC3=CC=CC=C3F 1 2.204 4 2 -18.5332841243689 9551081 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 2.599 3 4 0 -9.76470548316922 9551080 C1CN(CCC1C(=O)NCCC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CS3 1 2.982 2 3 -19.4866606515555 9551079 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)NS(=O)(=O)C4=CC=CS4)C 1 4.114 3 3 -9.19184255305512 9551078 C1CN(CCN1C2=CC=CC=C2F)C(=O)C(C3=CC=CC=C3)NS(=O)(=O)C4=CC=CS4 1 3.347 3 3 -11.9626640672536 9551077 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CO4)OC1=O 1 0.995 3 8 0 -22.1607137465228 9551076 CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C 1 0.84 4 7 0 -17.6496634364789 9551075 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3CCCCCC3)C(=O)N(C1=O)C 1 1.51 4 5 0 -24.4362053335674 9551074 CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC(=O)C3=C(N2)CCCC3 1 3.809 3 2 -18.3040297739373 9551073 [B-](F)(F)(F)F.CC(C)C[NH+]=C1C=C(OC2=C1C=C(C=C2)Cl)C3=CC=CC=C3 F[B-](F)(F)F 1 5.149 1 1 4.83715522401319 9551072 [B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[NH+]CCCCCO)C3=C(O2)C=CC(=C3)Cl F[B-](F)(F)F 1 4.516 1 2 6.08479418524045 9551071 [B-](F)(F)(F)F.CC(C[NH+]=C1C=C(OC2=C1C=C(C=C2)Cl)C3=CC=CC=C3)O F[B-](F)(F)F 1 3.795 1 2 5.46651373449387 9551070 C[N+]1(CCOCC1)CC(=O)OCCCC2=CC=CC=C2.[I-] I- 1 0.72 1 3 0 -6.67710177229235 9551069 C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S 1 4.796 4 2 -10.124024938467 9551068 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NON=C32)C(=O)N4CCN(CC4)C5=CC=CC=C5Cl 1 2.831 5 4 0 -9.81840157386952 9551067 COC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.892 4 5 0 -9.30179695563148 9551066 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NON=C32)C(=O)NCC4=CC=CC=C4 1 1.915 4 4 0 -17.0532502978199 9551065 CC1=CC2=C(C=C1)N(C(=C2CC(=O)NC3=CC=C(C=C3)F)C(=O)O)C 1 3.761 2 3 -2.62259767604289 9551064 CC1=CC2=C(C=C1)N(C(=C2CC(=O)NC3=CC(=C(C=C3)C)F)C(=O)O)C 1 4.248 2 3 -1.91920187407336 9551063 CC1=CC=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl 1 3.373 3 3 -4.43162648874589 9551062 CC1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3 1 0.851 3 3 0 -22.2068917065478 9551061 CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3 1 1.385 3 4 0 -14.7623618210636 9551060 C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3 1 0.599 3 3 0 -19.4478962942136 9551059 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NOC(=C2)C(C)C 1 3.28 2 5 0 -20.1661935315325 9551058 CCCC1=CC(=NO1)C(=O)NC2=C(N=CC=C2)Cl 1 2.488 3 2 -7.74708534711802 9551057 CC(C)CC1=CC(=NO1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 4.624 2 2 -1.58122087556832 9551056 COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)NCC4=CC=C(C=C4)Cl 1 4.562 2 3 -6.02543971825612 9551055 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=NOC4=C3CCC5=C4C=CC(=C5)OC 1 4.553 4 3 0 -8.07769760519389 9551054 COC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCC4 1 3.515 4 4 0 -23.021661810012 9551053 CCCCN(CCCC)S(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OCC)[N+](=O)[O-] 1 4.096 2 6 0 -22.6052120956824 9551052 CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-] 1 2.356 2 6 0 -24.1566639189545 9551051 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 1.203 4 4 0 -11.1220256292102 9551050 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)Cl 1 1.733 3 5 0 -10.7682882055244 9551049 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 0.119 4 6 0 -21.4927482502883 9551048 CCCCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C 1 2.627 3 4 0 -18.1529341846788 9551047 CC1=CC(=CC=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C 1 1.9 3 4 0 -16.3721322689267 9551046 COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CC4 1 2.467 2 4 -16.0586922001171 9551045 C1CC(C1)C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)NCC4=CC=CC=N4 1 2.004 3 3 -14.8862351052822 9551044 CCCCCCNC(=O)CCCCCNS(=O)(=O)C1=CC=C(C=C1)OC 1 3.507 2 4 -20.1305907821526 9551043 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)F)F 1 3.159 2 5 0 -19.9534697135764 9551042 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=C(C=C3)C(C)C 1 3.34 3 5 0 -19.4520024409997 9551040 CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCCC3)C(=O)N1CC4=CC=CC=C4 1 3.751 3 4 0 -22.6420441007281 9551039 CC1=NN(C(=C1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 3.924 4 3 0 -5.74835686286587 9551038 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC(=CC=C4)OC 1 2.383 4 4 0 -11.9822109658501 9551037 CC1=NN(C(=C1)NC(=O)C2=NOC(=C2)C3=CC(=CC=C3)OC)C4=CC=CC=C4 1 3.924 4 3 0 -3.989869947457 9551036 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=CC=C4)OC 1 3.533 3 4 0 -2.4833889566748 9551035 CCC1=C(SC(=C1C#N)NC(=O)C2=NOC(=C2)C3=CC(=C(C=C3)OC)OC)C 1 4.027 3 4 0 -14.3673266597629 9551034 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=NOC(=C4)C5=CC=CS5 1 5.042 3 2 -10.5091296416483 9551033 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NOC(=C3)C 1 2.901 4 2 -15.4516788421116 9551032 CC(C)C1=CC(=NO1)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.714 2 2 -5.96953212138388 9551031 CC(C)C1=CC(=NO1)C(=O)NC2=CC=CC=C2SC 1 3.314 2 2 -15.7379838936003 9551030 C[NH+](C)CCOC(=O)C1(CCOCC1)C2=CC=CC=C2.[Cl-] Cl- 1 0.405 1 3 0 -8.21281400171431 9551029 CC1=CC(=C2C(=C1)C(=C(N2)C(=O)NN=C(C)C3=CN=CC=C3)C4=CC=CC=C4)[N+](=O)[O-] 1 3.997 5 3 0 -6.19809692209354 9551028 C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=CC5=C(C=C4)N=CC=C5 1 1.181 3 3 0 -7.10158289058279 9551027 CN1C2=CC=CC=C2/C(=C\C3=CN(C4=CC=CC=C43)CC(=O)N5CCCCC5)/C1=O 1 3.619 3 2 -7.48889968732312 9551026 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F 1 3.489 4 3 0 -4.9463101674299 9551025 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3=CC(=C(C=C3)OC)OC 1 2.656 2 4 -12.747192642062 9551024 CC1=NC2=C(C=NN2C3=CC=CC=C3Cl)C(=O)N1C4=CC=C(C=C4)C(C)C 1 4.821 4 1 -6.54902065926048 9551023 CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)Cl)C 1 3.831 4 3 0 -7.80476582061923 9551022 CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C4=CC=CO4)C5=CC(=C(C=C5)C)C 1 5.48 4 2 -2.17966576184694 9551021 COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCOCC4)OC 1 2.532 4 4 0 -11.1049223091758 9551020 CC1=CC(=CC=C1)OCC(=O)NC2=CC=CC3=NSN=C32 1 3.064 3 2 -4.30676286270929 9551019 CC1=NC=C(N1CC(=O)NN=CC2=CC(=C(C=C2)OC(=O)N(C)C)OC)[N+](=O)[O-] 1 0.861 6 6 0 -18.860947331367 9551018 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4=CC(=C(C=C4)OC)OC 1 4.244 3 3 -5.82876429732803 9551017 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4=CC(=CC=C4)OC 1 4.26 3 2 -1.95937814234037 9551016 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4=CC=CC=C4OC 1 4.26 3 2 -3.40785073581502 9551015 CCCCN(CCCC)CCNC(=O)CNC(=O)C1=CC=CS1 1 2.847 3 2 -15.8455304700508 9551013 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)NC4=C(C=C(C=C4)OC)OC 1 3.66 3 5 0 -9.71999565962284 9551012 COC(CNC(=O)C1=CC=C(C=C1)N2CCCC2=O)OC 1 0.557 2 4 0 -21.5554859548157 9551011 CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)C(=O)NCC(OC)OC)CO 1 -5.8e-002 3 7 0 -16.3265446978313 9551010 CC(C)OCCCNC1=NC(=S)NC2=CC(=C(C=C21)OC)OC 1 2.821 3 3 -10.1236623867157 9551009 C1CCC(CC1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-] 1 2.693 5 5 0 0.475173801157495 9551008 C1CCC(C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-] 1 2.236 5 5 0 0.829642315325575 9551007 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC(=C(C=C3)OC)Cl 1 2.745 2 5 0 -21.3740833195665 9551006 CCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC=C(C=C3)CC 1 3.597 2 2 -8.86558332024304 9551005 CCCN1CC2=CC=CC(=C2C1=O)C(=O)NC(C)C3=CC=CS3 1 2.885 2 2 -11.0961881561598 9551004 CC(C1=CC=CS1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CCOC 1 1.882 2 3 0 -12.9781272361168 9551003 CC1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCCCC4 1 4.126 2 2 -7.94030530612548 9551002 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-9.04115280188971 9550916 CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)NCCN3CCCCC3C 1 1.471 3 4 0 -9.46113618167749 9550915 CCCN(CCC)CCNC1=C(C(=O)C1=O)NC2CCN(CC2)C(=O)OCC 1 0.936 4 4 0 -8.71754361179262 9550914 CCN(CCCNC1=C(C(=O)C1=O)NC2CCN(CC2)C(=O)OCC)CC3=CC=CC=C3 1 1.186 4 4 0 -4.45011437571914 9550913 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)N3CCN(CC3)C4=CC=CC(=C4C)C 1 2.572 4 4 0 2.26158825611067 9550912 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C 1 2.751 4 4 0 0.99716806585358 9550911 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 1.584 4 5 0 -1.3533490946233 9550910 CCCCNC1=C(C(=O)C1=O)N2CCN(CC2)C(=O)OCC 1 0.763 3 4 0 -5.14338901606586 9550909 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)Cl 1 1.683 3 4 0 -0.500357751700481 9550908 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCCCN3CCCC(C3)C 1 0.872 4 4 0 -3.91498158664417 9550907 CC1=C(C(=NN1C)C)S(=O)(=O)N(CC(=O)N2CCC3=CC=CC=C3C2)C4=CC=C(C=C4)C(C)C 1 3.719 4 3 0 -15.303226573931 9550906 CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)NCCCOC 1 3.769 3 4 0 -13.0763150823505 9550905 CCCN(CCC)C(=O)CN1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)NCCC3=CC=CC=C3 1 3.199 4 4 0 -23.2973766269234 9550904 COC1=CC(=C(C=C1)OC)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC(=O)NCC4=CC=CO4 1 1.405 4 7 0 -18.0460564893203 9550903 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC(=CC=C3)OC 1 1.599 4 3 0 -13.0639114539848 9550902 C1COC2=C(O1)C=CC(=C2)NC3=C(N=C4N3C=CC=N4)C5=CC=C(O5)Br 1 3.97 4 3 0 -3.96556860596004 9550901 CC1=C(C(CC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OC4CCCCCCC4 1 4.599 1 5 -21.8933990495771 9550900 CC1=C(C(CC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCOC(C)C 1 2.424 1 6 0 -24.2583860338349 9550899 C1COCCN1CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4F 1 2.405 4 4 0 -4.42307387071957 9550898 CC12CC(C3=CC=CC=C3O1)N(C(=O)N2C4=CC=CC=C4)C(=O)C5=CC=C(O5)Br 1 4.397 2 4 -9.08229526506456 9550897 CC1=CC(=CC(=C1)NC(=O)C(=O)C=C(C2=C(C=CC(=C2)OC)OC)O)C 1 3.36 1 5 -5.12730509642273 9550896 COC1=CC(=C(C=C1)OC)C(=CC(=O)C(=O)NC2=CC=CC=C2OC)O 1 2.371 1 6 0 -7.36915381049242 9550895 COC1=CC=CC(=C1)NC2=NC3=CC=CC=C3N4C2=NN=N4 1 1.671 6 1 0 -3.81631202734434 9550894 C1COC2=C(O1)C=CC(=C2)N3N=C(C(=NCCCO)N3O)[N+](=O)[O-] 1 0.357 5 6 0 -2.19096857294032 9550893 CC1=CC=C(C=C1)NC(=O)CCN2C(=CC(=N2)C)C 1 2.278 3 1 -13.4343255824489 9550892 CC1=NC(=C(N1CC(=O)C2=CC3=CC=CC=C3C=C2)Br)[N+](=O)[O-] 1 3.349 3 3 -1.17146574082285 9550891 C1CCC(CC1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NC3=CC=C(C=C3)Br 1 4.676 3 4 0 -11.6138380085293 9550890 CCCCCCC1CCC(CC1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C 1 4.863 3 2 -11.9946493051687 9550889 C1=C(C=C(C=C1Cl)Cl)N2C(=O)NC3=CC(=C(C=C3N2O)Cl)Cl 1 4.653 3 2 0.802700816728542 9550888 CCCCN1C2=CC=CC=C2N=C1N.Cl Cl- 1 2.675 3 0 -0.346560215106659 9550887 CC1=CC(=C(C=C1)C)C(=O)CN2C3=CC=CC=C3N4C2=NCCC4.Br Br- 1 3.474 3 1 -10.0789994884704 9550886 CC1=CC=CC=C1OCCCOC2=C(C=C(C=C2)/C=C\3/C(=N)N4C=CSC4=NC3=O)OC 1 3.96 3 4 0 -16.9562159650399 9550885 CC1=CC(=C(C=C1)C)OCCCOC2=C(C=C(C=C2)/C=C\3/C(=N)N4C=CSC4=NC3=O)OC 1 4.446 3 4 0 -16.5101908083586 9550884 CC1=C(C(=CC=C1)C)OCCCOC2=C(C=C(C=C2)/C=C\3/C(=N)N4C=CSC4=NC3=O)OC 1 4.446 3 4 0 -18.1217579220558 9550883 C1CC(OC1)CN2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)C4=CC(=C(C=C4)Cl)Cl 1 3.919 2 4 -10.7576683827586 9550882 COC1=C(C=C(C=C1)/C=C/2\C(=S)N(C(=O)S2)NS(=O)(=O)C3=CC=CC=C3)OC 1 3.55 2 5 0 -9.08490634287995 9550881 CC1=NC(=O)C(N1C2=CC=CC=C2)N=NC3=CC=CC(=C3)C(=O)O 1 3.376 4 3 0 -2.84644628489143 9550880 CCC1=CC=C(C=C1)CNC(=O)CCC2=NC(=NO2)C3=CC=CS3 1 3.383 3 2 -16.8776782837344 9550879 C1=CSC(=C1)C2=NOC(=N2)CCC(=O)NCC3=C(C=C(C=C3)F)Cl 1 3.311 3 2 -16.0003559241267 9550878 CC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC(=C(C=C3)OC)OC)SCC(=O)NCC4=CC=CO4 1 4.811 3 4 0 -16.1474669996241 9550877 CC1=C(C=C(C=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC(=C(C=C4)C)C)C)C 1 4.907 4 1 -3.8187209450274 9550876 CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C4=CC=CO4)C5=CC=C(C=C5)C 1 4.994 4 2 -2.93246756546126 9550875 CC1=CC=CC=C1NC2C3=CC=CC=C3C(=O)N2CC4=CC=CO4 1 3.905 2 2 -5.65082256101126 9550874 C1COCCN1CCN2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)Cl 1 3.145 3 2 -6.80913027022367 9550873 CC1=CC(=NC=C1)N2C(C3=CC=CC=C3C2=O)O 1 2.109 2 2 -4.01918189575863 9550872 CCOC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)NC4=CC=CC=C4 1 3.016 3 3 -7.86399359085897 9550871 CCOC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)NC4=C(C=CC=C4C)C 1 3.989 3 3 -8.11618376527325 9550870 CCOC1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5 1 4.338 2 4 -6.64228522882535 9550869 COC1=CC(=CC(=C1OC)OC)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5 1 3.956 2 6 0 -9.89819696193297 9550868 COC1=C(C=C(C=C1)NC2C3=CC=CC=C3C(=O)N2C4=CC=CC=N4)Cl 1 4.267 3 2 -7.276250699998 9550867 CCOC(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2C4=CC=CC=N4 1 3.823 3 3 -11.0308370798884 9550866 CCOC(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)C 1 4.309 3 3 -10.9228132630921 9550865 CC1=CC(=CC(=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C 1 2.93 3 3 -16.1037444198316 9550864 COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC4=C(CCC4)C=C3)O.Cl Cl- 1 4.111 2 3 -3.48363168047746 9550863 COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC4=C(CCC4)C=C3)O.Cl Cl- 1 4.111 2 3 -1.91895328583801 9550862 C1=CC=C2C(=C1)C=CC=C2CC(=O)O/N=C(/C3=CC=CC=N3)\N 1 2.608 3 2 1.25195135840006 9550861 C1CC2=C(C1)C=C(C=C2)OCC(CN3CCN(CC3)C4=CC(=CC=C4)Cl)O.Cl Cl- 1 4.792 2 2 2.9020467398192 9550860 CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2P(=O)(O)O 1 2.911 0 5 -6.0244270345999 9550859 COC1=C(C=C(C=C1)/C(=N/OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])/N)OC 1 2.248 3 6 0 -7.08006062486034 9550858 COC1=CC=C(C=C1)OCC(=O)O/N=C(/CC2=C(C=C(C=C2)Cl)Cl)\N 1 3.569 2 4 5.98428212789698 9550857 CCOC1=CC=C(C=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC(=O)NCC5=CC=CO5 1 3.849 5 3 0 -22.2545263763262 9550856 CC(C)(C)CC1=NC2=C(C(=N1)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C(=O)N(C(=O)N2C)C 1 2.776 5 5 0 -23.9953707065056 9550855 CC1=CC(=CC=C1)NC(=O)NC(C)C(C2=CC=CS2)N3CCOCC3 1 3.095 3 2 -4.66696818885983 9550854 CC(C)(C)CC1=NC2=C(C(=N1)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N(C(=O)N2C)C 1 2.766 5 5 0 -25.1638175502499 9550853 CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3)NC(=O)NC4CCCCC4 1 4.832 4 1 -5.68211167234868 9550852 CCOC(=O)N1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3=CC=C(C=C3)Br 1 2.476 4 4 0 -4.11196777725863 9550851 CN1C2=C(C(=NC(=N2)C3=CC=CO3)SCC4=CC=C(O4)C(=O)OC)C(=O)N(C1=O)C 1 2.745 4 6 0 -12.5775874651294 9550850 CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)NC4CCCCC4 1 4.743 4 1 -5.85781820545058 9550849 C1CN(CCN1CC2=CC=CC=C2)C3=CC(=O)N(C(=O)N3)C4=CC=C(C=C4)Br 1 3.808 4 2 1.90391124328267 9550848 C1CN(C2=CC=CC=C21)C(=O)CSC3=NN4C(=NN=C4C5=CC=C(C=C5)Cl)C=C3 1 4.44 5 1 -11.9046050399672 9550847 C1=CC=C(C=C1)C2=NC(=CS2)CCNC(=O)C3=CC=C(O3)Br 1 3.428 2 2 -5.70691266928052 9550846 CN(CC(CN)O)CC(CN1CCCCC1)O.Cl Cl- 1 -0.475 3 2 0 -2.03763652991642 9550845 CC1=CC(=NO1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)CC(C)(C)C 1 2.129 6 4 0 -28.8524490993601 9550844 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN4C(=NN=C4C5=CC=CC=C5)C=C3 1 3.27 5 3 0 -15.5716747839252 9550843 CC(C)(C)CC1=NC2=C(C(=N1)SCC3=C(C=CC=C3Cl)F)C(=O)N(C(=O)N2C)C 1 4.808 4 2 -16.3582414118872 9550842 CC1=CC=CC=C1C(=O)NC(C)C(C2=CC=CS2)N3CCOCC3 1 3.187 2 2 -10.3091785188275 9550841 COC1=CC=CC(=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC(=O)NCC5=CC=CO5 1 3.5 5 3 0 -20.8992423501856 9550840 COC1=CC=C(C=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC(=O)NCC5=CC=CO5 1 3.5 5 3 0 -21.4883032246182 9550839 CC1=CC(=C(C=C1)C)C(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 4.107 2 2 3.6304081291949 9550838 CN1CCN(CC1)C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 0.759 3 4 0 3.65030703041914 9550837 CCC(C1=CC=CC=C1)C(=O)O/N=C(/C2=CC=CC=C2)\N 1 3.34 2 2 -2.75082599249115 9550836 CCCN/C(=C/1\C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)/C 1 4.207 4 1 -6.08596728710686 9550834 C1=CC(=CC=C1NC=CC=CC=NC2=CC=C(C=C2)Br)Br.Cl Cl- 1 5.092 2 0 10.0109230809054 9550833 C[N+]12CCC(CC1)C(C2=C)(C3=CC=CC=C3)O.[Cl-] Cl- 1 0.512 1 1 0 -1.43715539986769 9550832 CCN(CC)C(=O)CN1C2=C(C3=C(S2)CCC3)C(=O)N(C1=O)C4=CC=CC=C4 1 3.229 3 3 -19.9007520772783 9550831 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)F)OC 1 4.309 2 4 -4.88858786769261 9550830 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NC4CCCCC4 1 3.454 3 4 0 -11.3148765792122 9550829 CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NCC4=CC5=C(C=C4)OCO5 1 3.705 3 5 0 -14.85437276866 9550828 C1CCC(C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NCCC4=CC=C(C=C4)Cl 1 3.315 4 4 0 -16.3542337579828 9550827 CC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CO4)C 1 3.35 3 4 0 -11.6704664170975 9550826 C1CCC(C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NCC4=CC=CO4 1 1.511 4 5 0 -21.0186668615027 9550825 CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)NCCCOC 1 4.255 3 4 0 -11.9490181812785 9550824 C1=CC=C2C(=C1)C(=O)N(C(=O)N2CC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)C(=O)NCC5=CC=CO5 1 4.781 3 4 0 -9.78883767311869 9550823 C1=CC=C2C(=C1)C(=O)N(C(=O)N2CC3=CC(=CC=C3)F)CC4=CC=C(C=C4)C(=O)NCC5=CC=CO5 1 4.322 3 4 0 -9.52249086612882 9550822 COC1=CC=CC(=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4CCCO4 1 1.955 3 5 0 -13.6540366182475 9550821 CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NC4CCCC4 1 2.809 4 4 0 -12.291410308578 9550820 C1CCC(=CC1)CCNC(=O)CCCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=O 1 3.391 3 3 -17.5393652541067 9550819 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=C(C=C(C=C4)Cl)NC3=O 1 2.883 4 4 0 -6.80003733557962 9550818 CCC(C)NC(=O)CN1C2=CC=CC=C2C(=O)N(C1=O)CCCC(=O)NCC3=CC=CC=C3Cl 1 3.163 4 4 0 -26.2417397392393 9550817 CC1=CC2=C(C=C1C)N(C(=N2)C)CCCNC(=O)NC3=CC=CC=C3 1 3.611 4 1 -9.75943075795773 9550816 CC1=C(C(=CC=C1)C)NC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3 1 3.759 4 1 -1.38282353003873 9550815 CSC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3 1 3.328 4 1 2.58274494512248 9550814 CCOC1=CC=C(C=C1)NC(=O)N2CCC(CC2)(C(=O)N)N3CCCCC3 1 1.436 4 3 0 -8.48138573109823 9550813 CC1=C(C=C(C=C1)N2C3=C(C=C(C2=O)C#N)C(=O)N4C=CC=CC4=N3)C 1 2.419 4 2 -14.4896029068866 9550812 CC1=CC=CC=C1N2C3=C(C=C(C2=O)C#N)C(=O)N4C=CC=CC4=N3 1 1.933 4 2 0 -15.6688104587125 9550811 CC1=C(C=C(C=C1)Cl)N2C(=N/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C2=O)C 1 3.828 3 3 -5.36931818101516 9550810 CC1=C(C=CC(=C1)N2C(=N/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C2=O)C)Br 1 3.912 3 3 -7.31206702624565 9550809 CC1=CC(=C(C=C1)NC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3CCCCC3)C 1 4.9 3 4 0 -14.6546998803621 9550808 C1CCC(CC1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 3.822 4 6 0 -13.044263937135 9550807 CC1=C(C=C(C=C1)N2C(=N/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C2=O)C)Cl 1 3.828 3 3 -7.64296192631602 9550806 C1CCC2(CC1)NC(=O)C(=N2)C3=CC=C(C=C3)Br 1 3.241 2 1 4.0343971210019 9550805 CC1=CC=C(C=C1)C2=NC(NC2=O)(C)C 1 1.588 2 1 0 0.904377783495478 9550804 C1CC1(C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.139 2 3 4.13407446923715 9550803 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.625 2 3 1.15483228046767 9550802 C1CC1(C(=O)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.134 3 3 0.447730487698598 9550801 CC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4CCCO4 1 2.621 2 3 -14.0634420570134 9550800 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCCC3=CCCCC3 1 3.14 3 4 0 -23.1957942350131 9550799 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCCN2CCOCC2)C3=CC=C(C=C3)OC 1 1.957 3 5 0 -20.5402313848756 9550798 CCOC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.104 3 5 0 -18.9005653634093 9550797 CCOC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.785 3 4 0 -16.5203238924788 9550796 CC1=CC=CC=C1CSCC(C(=O)O)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 3.463 2 6 0 -18.0860131626768 9550795 CC1=CC=C(C=C1)CSCC(C(=O)O)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 3.463 2 6 0 -16.3653008973875 9550794 C1=CC(=CC=C1CSCC(C(=O)O)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])F 1 3.182 2 6 0 -15.6534238719223 9550793 CC1=CC=C(C=C1)C2=NN=C(O2)CC3=CC=C(C=C3)Cl 1 4.239 2 1 -1.28657434650845 9550792 COC1=C(C=C(C=C1)CC2=NN=C(O2)C3=CC=C(C=C3)F)OC 1 3.261 2 3 -7.96343138173825 9550791 C1=CC=C2C(=C1)N=C(C3=NN=NN23)NCC4=CC=C(C=C4)F 1 1.9 6 0 0 -6.48100978629386 9550790 COC1=C(C=C(C=C1)CCNC2=NC3=CC=CC=C3N4C2=NN=N4)OC 1 1.983 6 2 0 -10.3035764245872 9550789 COC1=C(C=C(C=C1)CCNC(=O)C2=NN=C(O2)CC3=CC=C(C=C3)Cl)OC 1 3.315 3 4 0 -12.5448305734512 9550788 C1=COC(=C1)CNC(=O)C2=NN=C(O2)CC3=CC=C(C=C3)Cl 1 2.208 3 3 -10.5954538925783 9550787 CNC(=O)C1=NN=C(O1)CC2=CC=C(C=C2)Cl 1 1.443 3 2 0 -8.2992257767349 9550786 C1CN(C(=O)N1CC2=CC(=CC=C2)Cl)CC(=O)NCC3=CC=CC=N3 1 1.555 4 2 0 -14.4351755833672 9550785 CC1=C(N=C(O1)C2=CC=CC=C2Cl)CS(=O)CC(=O)NCC3=CC=CS3 1 2.497 2 3 4.04338943344802 9550784 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)(=O)CC(=O)NC3CCCC4=CC=CC=C34 1 3.188 2 5 0 4.56515940146621 9550783 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)(=O)CC(=O)N3CCC4=CC=CC=C43 1 2.446 2 5 0 1.85662145442051 9550782 CCN1C2=C(C=CC(=C2)C(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4C1=O 1 1.543 2 5 0 -8.5563795793615 9550781 CC1=CC=C(C=C1)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C 1 3.901 3 1 -5.16116840225448 9550780 CC1CC(CN(C1)CCCNC(=O)C2=CC(=NN2C3=CC=CC=C3)C)C 1 3.595 4 1 -11.901114503253 9550779 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCCNC(=O)C3=CC(=NN3C4=CC=CC=C4)C 1 4.819 5 1 -1.86149633443694 9550778 CCOC1=CC=C(C=C1)NC(=O)C2=C(C(=O)OC23CCC(CC3)C)C 1 3.878 1 4 -6.54715779086657 9550777 CC1=C(C=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)SC)N)C 1 3.701 5 1 -11.867405061084 9550776 CSCC[C@@H](C(=O)NCC1=CC=CS1)N2CC3=CC=CC=C3C2=O 1 2.192 2 2 -17.8998465584269 9550775 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35 1 4.13 3 2 -5.28680739050829 9550774 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)OC 1 1.866 4 4 0 -5.27892362960229 9550773 COC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl)OC 1 2.181 4 4 0 -7.90121757075606 9550772 CCC1CCCCN1CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.369 2 3 -18.138986019524 9550771 CCN1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OCC 1 2.814 4 3 0 -8.87530803743766 9550770 CC1CC(CN(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=CC(=C4)OC)OC)C 1 3.699 3 4 0 -14.7608954765699 9550769 C1CC(OC1)CNC(=O)CN2CCN(C2=O)CC3=CC(=CC=C3)Cl 1 1.266 3 3 0 -16.7159507960145 9550768 C1CN(C(=O)N1CC2=CC=C(C=C2)Cl)CC(=O)NCCCN3CCOCC3 1 0.796 4 3 0 -14.9890273656824 9550767 CC1=CC(=CC=C1)N2C3=C(C=C(C2=O)C#N)C(=O)N4C=CC=CC4=N3 1 1.933 4 2 0 -12.7206195780247 9550766 C1CN(CCN1CC2=CC=CC=C2)C(=O)CSCC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5 1 4.412 5 1 -6.19215464587328 9550765 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=C2C)C(=O)NCC3=CC=C(C=C3)C 1 4.003 2 4 -8.95472259474549 9550764 COC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5 1 4.354 5 3 0 2.11916262450067 9550763 CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-] 1 3.704 5 4 0 -16.1139171393409 9550762 CC1=C(SC2=C1C(=O)N3CCCCC3=N2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-] 1 3.248 5 4 0 -15.7594486251728 9550761 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 5.152 3 2 0.456035570239794 9550760 C1CN(CCN1CC(=O)C2=CC3=C(C=C2)C=CN3)C4=CC=CC=C4 1 3.498 3 1 -0.220106007089375 9550759 CC(C1=CC=CC=C1)N2C(C3=CC=CC=C3C2=O)O 1 2.618 1 2 -3.34595204089467 9550758 CCC(=O)OC1C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3 1 3.287 1 3 -8.38534318246365 9550757 CCOC1=C(C=C(C=C1)CCNC(=O)C2=NN3C=CC=CC3=C2)OCC 1 3.264 3 3 -13.6480117979419 9550756 CCOC(=O)C1=CC=CC=C1NC2C3=CC=CC=C3C(=O)N2C4=NC=CC(=C4)C 1 4.309 3 3 -12.1143372038328 9550755 C1CN(C(=O)N1CC2=CC=CC=C2F)CC(=O)NCCC3=CC=C(C=C3)Cl 1 3.018 3 2 -12.9671424845985 9550754 COC1=C(C=C(C=C1)CCNC(=O)CN2CCN(C2=O)CC3=CC=C(C=C3)F)OC 1 2.32 3 4 0 -17.6549993359202 9550753 CN1C=C(C2=CC=CC=C21)CC(=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.613 3 1 -2.63533572259751 9550752 CC1=C(C(=NC2=CC(=NN12)C3=CC=CC=C3)C)CCC(=O)NCC4=CC=CO4 1 3.079 4 2 -17.6363484802097 9550751 CCOC(=O)C1CCN(CC1)C(=O)CCC2=C(N3C(=CC(=N3)C4=CC=CC=C4)N=C2C)C 1 3.196 4 3 0 -13.7533188500766 9550750 CC1=C(C(=NC2=CC(=NN12)C3=CC=CC=C3)C)CCC(=O)N4CCN(CC4)C5=CC=CC=C5 1 4.149 5 1 -6.86273472410673 9550749 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)F)C)CCC(=O)NCC4=CC=CO4 1 3.139 4 2 -17.7754950734676 9550748 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)F)C)CCC(=O)NCCOC 1 2.242 4 2 -18.8381198911226 9550747 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)F)C)CCC(=O)N4CCOCC4 1 2.267 4 2 -12.3832148648941 9550746 CCOC(=O)C1CCN(CC1)C(=O)CCC2=C(N3C(=C(C(=N3)C)C4=CC=C(C=C4)F)N=C2C)C 1 3.256 4 3 0 -13.9898596698593 9550745 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)F)C)CCC(=O)N4CCN(CC4)C5=CC=CC=C5 1 4.209 5 1 -6.80624408184119 9550744 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)F)C)CCC(=O)N4CCC(CC4)CC5=CC=CC=C5 1 5.237 4 1 -6.81282916690357 9550743 CC1=C(C(=NC2=CC(=NN12)C3=CC=C(C=C3)Cl)C)CCC(=O)NCC4=CC=CO4 1 3.744 4 2 -15.2424391467829 9550742 CC1=C(C(=NC2=CC(=NN12)C3=CC=C(C=C3)Cl)C)CCC(=O)N4CCN(CC4)C5=CC=CC=C5 1 4.813 5 1 -4.27318815515647 9550741 CC1=C(C(=NC2=CC(=NN12)C3=CC=CC=C3OC)C)CCC(=O)NC(C)CCC4=CC=CO4 1 4.01 4 3 0 -22.2124598071273 9550740 CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=C(N4C(=C(C(=N4)C)C5=CC=CC=C5)N=C3C)C 1 4.213 6 1 0 -9.75236706049484 9550739 CCOC(=O)N1CCC(CC1)NC(=O)CCC2=C(N=C3C(=C2C)C(=NN3C4=CC=C(C=C4)C)C)C 1 3.903 5 3 0 -13.4748498762228 9550738 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3[N+](=O)[O-])C(C)C 1 1.759 5 5 0 -17.1454758706062 9550737 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NCCCN4CCC5=CC=CC=C5C4 1 3.458 4 2 -8.75357108505807 9550736 CC1=CC=C(C=C1)CNC(=O)C2=CSC3=C2CCCCC3 1 4.609 1 1 -8.98852136404034 9550735 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CN3C4=C(C=C3C(=O)OC)SC=C4 1 4.86 2 3 9.62918772340882 9550734 CC(C)CCNC(=O)CN1C(=CC2=C1C=C(S2)Cl)C(=O)OC 1 3.528 2 3 -16.6496294695761 9550733 COC(=O)C1=CC2=C(N1CC(=O)NCC3CCCO3)C=C(S2)Cl 1 2.307 2 4 -17.1763830833186 9550732 CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)N4CCC5(CC4)OCCO5 1 2.28 3 4 0 -4.81598234490221 9550731 CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)NCCCN4CCOCC4)C 1 2.674 4 2 -5.80404265065145 9550730 CCC1=CC2=C(S1)C=C3N2C(=NN(C3=O)CC(=O)NCCCN(CC)CC)CC 1 3.265 5 2 0 -14.8391881530347 9550729 CN1C(=O)CSC2=C1C=C(C=C2)NC(=O)NCCCOC 1 0.431 3 3 0 -15.4834684768358 9550728 CCC(C(=O)OCC)N1C(=O)C2=CC3=C(N2C(=N1)C)C=CO3 1 2.333 3 4 0 -9.56088379868642 9550727 CCOC1=CC=CC=C1CNC(=O)C2=CC3=C(N2C)C4=CC=CC=C4O3 1 4.339 2 3 -6.49853463451186 9550726 CC1=CC=C(C=C1)CNC(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3 1 3.954 2 2 -13.8838562292155 9550725 CC1=CN=C(C=C1)NC(=O)NC2=CC=CS2 1 2.184 3 1 -7.10865165076866 9550724 CCOC1=CC=C(C=C1)NC(=O)NC2=CC=CS2 1 2.641 2 2 -5.89675583781361 9550723 CC1CCC(CC1)NC(=O)NC2=CC=CS2 1 2.842 2 1 -11.2946558904229 9550722 CCN(CC)CCCNC(=O)CN1C(=O)C2=CC=CN2C=N1 1 0.554 5 2 0 -14.6066603794464 9550721 CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)C(C)C(=O)NCC4=CC=CC=C4Cl 1 3.984 3 2 -9.62692543053605 9550720 CCC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.311 3 3 -11.9031908945106 9550719 COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)NCC3=CN=CC=C3)C4=CC(=C(C=C4)OC)OC 1 2.761 3 5 0 -18.7785475309478 9550718 COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)NCC3=CC=CC=N3)C4=CC=C(C=C4)F 1 3.215 3 3 -11.2785214416161 9550717 COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=C5OC 1 4.05 4 3 0 -2.24180159725054 9550716 COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCC(CC4)C(=O)N 1 1.911 4 3 0 -4.20959333758256 9550715 COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)CC5=CC=CC=C5 1 3.978 4 2 -0.653620050785919 9550714 C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=S)NCC(=O)NC3CC3 1 4.39 3 1 -13.0929406819435 9550713 CCCCOC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2CC3CCCO3)C4CCCCC4 1 3.779 2 4 -15.015637582286 9550712 CC1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=CC(=C3)Br)OC 1 2.126 3 4 0 -17.1966367029537 9550711 CC1=CC(=NC2=C1C(=O)N(S2)CC(=O)NC(C)CCC3=CC=CC=C3)C 1 3.536 3 2 -10.7888720285773 9550710 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N2C)C=C(S3)Cl)OCC 1 4.81 2 3 -7.79930588663932 9550709 C1=CC=C2C(=C1)NC(=O)N(N2O)C3=CC(=NO3)C4=CC(=CC=C4)Cl 1 3.186 4 3 0 4.40055726420883 9550708 CCOC1=CC=C(C=C1)C2=NOC(=C2)N3C(=O)NC4=CC=CC=C4N3O 1 2.854 4 4 0 -0.364387421264605 9550707 CCN1C(=C(C=N1)C2=NOC(C2)C(=O)NC3=CC=C(C=C3)C)C 1 2.012 4 2 -7.97951000609561 9550706 CCC(C)NC(=O)CCN1C(=C(C=C1C2=CC=C(C=C2)C)C(=O)OCC)C 1 4.333 2 3 -17.5759581887748 9550705 CCCNC(=O)CCN1C(=C(C=C1C2=CC=C(C=C2)C)C(=O)OCC)C 1 3.955 2 3 -14.412335869091 9550704 CN1CCN(CC1)CCCNC2=NC3=CC(=C(C=C3C4=NC(=NN42)C5=CC=CC=C5)OC)OC 1 2.937 7 2 0 -0.268797895629891 9550703 CC1=CC(=C(C=C1)NC(=O)CN2C=CC=C2)C 1 2.738 2 1 -7.05329034149817 9550702 CCN1CCN(CC1)CCCNC2=C(C(=O)C2=O)NC3CCN(CC3)C(=O)OCC 1 -0.44 5 4 0 -5.34849892910994 9550701 CCN(CC)CCCNC1=C(C(=O)C1=O)N2CCN(CC2)C(=O)OCC 1 0.333 4 4 0 -4.55672196285324 9550700 CC1CC(CN(C1)CCCNC(=O)C2=CSC3=C2CCCC3)C 1 3.84 2 1 -13.6226387728295 9550699 C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 4.86 2 1 2.63837146058307 9550698 C1CCC2=C(CC1)SC=C2C(=O)NCC3=CC=CC=C3 1 4.123 1 1 -9.80333626881994 9550697 CCC(C)NC(=O)C1=CSC2=C1CCCCC2 1 3.789 1 1 -13.0663958120114 9550696 CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.58 2 2 -19.7126166251967 9550695 CCOC(=O)C1CCN(CC1)C(C2=CC=C(C=C2)C)C(=O)NC3CCCC3 1 3.663 2 3 -12.3791750944912 9550694 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4F)C(=C2)C 1 3.88 4 1 -3.77185139222073 9550693 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC)C(=C2)C 1 3.641 4 3 0 -7.44481425405248 9550692 CCC(C)C(C(=O)NC1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3CCC(CC3)C 1 4.289 3 2 -19.8145075502795 9550691 CC1=CC=C(C=C1)C2=C(N3C=CN=CC3=N2)NC4=CC5=C(C=C4)OCO5 1 3.71 4 2 1.059209436651 9550690 CC1=CC=C(C=C1)NC2=C(N=C3N2C=CN=C3)C4=CC=C(O4)C 1 3.482 4 1 3.62577655741676 9550689 CC1=C(SC2=C1C(=O)N3C=CC=C(C3=N2)C(=O)N4CCN(CC4)C5=CC=CC=N5)C 1 2.147 5 2 0 -12.1474903012943 9550688 C1CN(CCN1C2=CC=C(C=C2)F)C3=NC4=C(C(=O)S3)SC=C4 1 4.024 3 1 -5.93706207527816 9550687 C1CC1C2=CC(=NO2)C(=O)NCC3=CC=CS3 1 2.147 2 2 -18.3430102463157 9550686 C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)CS3)CC(=O)NCCC4=CC=CC=C4 1 2.839 3 4 0 -27.0513175667317 9550685 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCCCN2CCC(CC2)CC3=CC=CC=C3 1 2.781 3 3 -20.4485284348713 9550684 CCCCOC1=CC=C(C=C1)C(C)NC(=O)C2CCCN(C2)S(=O)(=O)CCC 1 3.331 2 4 -22.6686595460925 9550683 C1CC(CCC1CNS(=O)(=O)C2=CC=CC=C2)C(=O)NCCN3CCOCC3 1 1.519 3 4 0 -19.765646598207 9550682 COC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NNC(=O)NC3=CC=CC=C3.[Br-] Br- 1 3.749 4 2 -8.20158649153576 9550681 CCOC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NNC(=O)NC3=CC=CC=C3.[Br-] Br- 1 4.098 4 2 -8.96780964324378 9550680 CC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NNC(=O)NC3=CC=CC=C3.[Br-] Br- 1 4.252 4 1 -7.78862028239162 9550679 C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C=NNC(=O)C3=CC(=CN=C3)Br 1 3.63 5 6 0 -5.23014228610511 9550678 C1=CC=C(C=C1)/C=C/C=NNC(=O)C2=CC(=CC=C2)Br 1 3.792 2 1 0.244079953242414 9550676 CCN(CC)CCCNC(=O)C1C(N(C(=O)C2=CC(=C(C=C12)OC)OC)C)C3=CC=CS3 1 2.541 3 4 0 -16.0689558130299 9550674 C1CN(CCC1C(=O)N)C(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3 1 1.565 3 3 0 -9.98826824943076 9550673 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C=CC=C3C(=O)C4=CC=CC=C4)C 1 4.692 3 2 -2.65125237367749 9550672 CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)N4CCC5(CC4)OCCO5 1 1.18 4 4 0 -9.2428957163602 9550671 C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C4=C(C=N3)C5=CC=CC=C5N4CC6=CC=CC=C6 1 2.451 7 2 0 -6.88795948271 9550669 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NC(C)C4=CC=CC=C4 1 2.991 5 2 0 -12.6560649940648 9550668 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCC4=C(C(=CC=C4)OC)OC 1 2.581 5 4 0 -15.4445382320731 9550667 CC1=NN(C(=O)C2=CC3=C(N12)C=CO3)C(C)C(=O)NCCCC4=CC=CC=C4 1 3.174 4 3 0 -12.6162789535954 9550666 CCC(C(=O)NCC1=CC=C(C=C1)OC)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4 1 2.904 4 4 0 -11.3143919197387 9550665 CCC(C(=O)NCC1=CC=CC=C1OC)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4 1 2.904 4 4 0 -13.4286497508046 9550664 COC(=O)C1=CC=C(N1CC2=CC=CC=C2Cl)C3=CC=CO3 1 4.729 1 3 -3.99432706917189 9550663 CC1=C(C=C(C=C1)NC(=O)CCN2C=CC=C2)F 1 2.705 2 1 -4.69272610758176 9550662 CCC(CC1=CC=CC=C1)NC(=O)CCN2C=CC=C2 1 3.243 2 1 -9.6046080879829 9550661 C1=CN(C=C1)CCC(=O)NC2=CC=C(C=C2)F 1 2.219 2 1 -5.72425640810673 9550660 COC1=CC=CC=C1NC(=O)CCN2C=CC=C2 1 1.997 2 2 0 -10.0652424076521 9550659 CCOC1=CC=C(C=C1)NC(=O)NCCCN2C(=NC3=C2C=C(C(=C3)C)C)C 1 3.944 4 2 -10.7819659804365 9550658 CC1=CC2=C(C=C1)N=C3C=CC(=NN3C2=O)N4CCCCCCC4 1 3.434 4 1 -4.42200462415499 9550657 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=C(N=CC=C3)Cl)N4CCN(CC4)C 1 3.048 5 1 1.46354131448222 9550656 CCCCNC(=O)C1CC(=O)N(C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC 1 3.217 2 4 -11.1387141818909 9550655 CC(C)CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)NC4CCN(CC4)CC5=CC=CC=C5 1 3.777 4 2 -4.4367855887129 9550654 C1CN2C(C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C61 1 3.65 3 2 -5.43418125728535 9550653 C1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)OCC4=CC=CC=C4 1 3.112 3 5 0 -22.2973374555557 9550652 CC1=CC=CC=C1CN2C3=C(C(=O)N(C2=O)CCCC(=O)NCC4=CC=CO4)SC=C3 1 3.394 3 4 0 -21.0547741342185 9550651 CC1=C(SC2=C1C(=O)N(C(=O)N2CC(=O)NCC3=CC=CO3)C4=CC=CC(=C4)C(F)(F)F)C 1 3.738 3 4 0 -12.1097844367645 9550650 C1CCCC2(CC1)NC(=O)C(=N2)C3=CC=C(C=C3)F 1 3.154 2 1 4.38093520098177 9550649 CC1(N=C(C(=N1)SCC(=O)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C 1 4.533 3 1 -4.80986118194487 9550648 CC1=CC(=C(C=C1)C)CN2C(=CC=C2C(=O)OC)C3=CC=CO3 1 5.037 1 3 -2.15059482691141 9550647 CCOC(=O)C1=C(N(C(=C1C=O)C)CC2=CC=C(C=C2)C)C 1 3.453 1 3 -7.4370381294105 9550646 CC(C)OCCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC=C2 1 2.35 2 4 -22.4730858112605 9550645 CC(C)OCCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.015 2 4 -19.7550774814375 9550644 CCN(CC)CCCNC(=O)C(C)N1C(=O)C2=C(C(=N1)C)SC3=CC=CC=C32 1 2.635 4 2 -10.5586381746002 9550643 CCCN(CCC)CCCNC1=NN2C(=NN=C2C3=CC=C(C=C3)F)C=C1 1 3.805 6 0 -2.58480406128167 9550642 COC1=CC=CC(=C1)NC2=NC3=CC=CC=C3N4C2=NN=C4 1 2.676 5 1 4.28431800154625 9550641 CCOC1=CC=C(C=C1)NC(=O)CN2CC(CC2=O)C3=CC=CC=C3 1 2.155 2 3 -9.94374867249193 9550640 C1=CC=C2C(=C1)N=C(C3=NN=NN23)NCCC4=CC=C(C=C4)Cl 1 2.68 6 0 -4.07049679648722 9550639 CC1=CC=C(C=C1)CNC2=NC3=C(C=C(C=C3)C)N4C2=NN=C4 1 3.671 5 0 0.576060435532801 9550638 CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2NC4=CC(=CC=C4)OC)C 1 3.923 5 1 -2.17590896656228 9550637 COC1=CC=CC(=C1)NC(=O)CN2CC(CC2=O)C3=CC=CC=C3 1 1.806 2 3 0 -8.91821435262102 9550636 CC(C)C1NC(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4O 1 3.767 2 3 10.6450682141092 9550635 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4CC4 1 1.493 4 3 0 -23.4568664415013 9550634 CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=O)C3=NOC(=C3)C(C)C 1 4.354 4 2 -12.9583900769051 9550633 CCCC1=CC(=NO1)C(=O)NCC2=CN=CC=C2 1 1.622 3 2 0 -12.9150835804868 9550632 CCCC1=CC(=NO1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.858 4 3 0 -18.3543022174402 9550631 CCCC1=CC(=NO1)C(=O)NC2=C(C=C(C=C2)F)F 1 3.176 2 2 -6.86024587640444 9550630 CC(C)CC1=CC(=NO1)C(=O)NCC2=CN=CC=C2 1 1.874 3 2 0 -11.0781387946368 9550629 CC(C)CC1=CC(=NO1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.8 3 2 -9.20512137215444 9550628 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)CC(C)C 1 2.11 4 3 0 -16.5173574315902 9550627 CCC1=C(SC(=C1C#N)NC(=O)C2=NOC(=C2)CC(C)C)C 1 3.771 3 2 -13.6592963924459 9550626 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NOC(=C2)CC(C)C 1 3.525 2 5 0 -15.2545273440136 9550625 CC1=CC(=C(C=C1)C)CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)CC(=O)NCC5=CC=CO5)SC=C3 1 5.07 3 4 0 -17.1854659344052 9550624 C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CS4)N(C3=O)CC5=CC=C(C=C5)F 1 4.275 3 4 0 -14.6156875484463 9550623 C1=CC(=CC(=C1)F)CN2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)NCC5=CC=CO5)SC=C3 1 4.275 3 4 0 -13.2392190763349 9550622 CC(C)C(C(=O)NCCC1=CCCCC1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.583 4 3 0 -23.0416363695004 9550621 CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5)C 1 3.132 4 3 0 0.579076355418969 9550620 C1=CC=NC(=C1)C2/C(=C(\C3=CC=C(C=C3)F)/O)/C(=O)C(=O)N2CCCN4C=CN=C4 1 1.557 4 3 0 -1.58252585892385 9550619 C[NH+]1CC[NH+](CC1)CCC(=O)NC2=C(C=CC(=C2)Cl)OC.[Cl-] Cl- 1 -1.312 3 2 0 -6.07145607834264 9550618 CN(CCCCCCCCC(=O)C=NO)CC1=CC=CC=C1.Cl Cl- 1 4.201 2 2 0.748330628028646 9550617 CC[N+](CC)(CC)CCCCCCCCCC[N+](CC)(CC)CC.[Br-] Br- 1 3.221 2 0 0.331430908888503 9550616 COCCCNC(=O)CN1CCN(C1=O)CC2=CC=C(C=C2)Cl 1 0.839 3 3 0 -16.1583739350955 9550615 CC(C)(C)C1CCC(CC1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O.Cl Cl- 1 4.332 2 2 -0.978512964903452 9550614 C1CN(CCN1CCCCOC2=CC=C(C=C2)F)C(=O)C3=CC=CO3.Cl Cl- 1 3.076 2 3 2.79271071127258e-002 9550613 CN(CC(=O)O/N=C(/C1=CC(=CC=C1)[N+](=O)[O-])\N)S(=O)(=O)C2=CC=CC=C2 1 1.25 4 6 0 -7.53068989358051 9550612 CCOCCCNC(=O)CNC(=S)N(CC1=CC=CC=C1F)C2CCCCC2 1 4.181 3 2 -18.4877799563648 9550611 CN(CCO)C1=C(C2=NON=C2C(=C1)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-] 1 3.66 5 4 0 2.03575949049703 9550610 COCCCNC(=O)CNC(=S)N(CC1=CC=CC=C1F)C2CCCCC2 1 3.832 3 2 -16.9798680176351 9550609 CC1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4 1 3.253 4 3 0 -15.3237722030383 9550608 CC1=CC=C(C=C1)N\2C(=C(C(=O)/C2=C\C3=CC=C(O3)CNC(=O)C(=O)NC4=CC=CC=C4)C(=O)OC)C 1 3.652 3 6 0 -16.5111753831637 9550607 CCOC1=CC=C(C=C1)N/C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])/N2C=NC=N2 1 3.598 5 3 0 -0.497563900492694 9550606 CC1=CC=CC=C1NC2=C(C(=O)OC2OC(=O)C3=CC=CO3)Cl 1 3.431 1 5 -5.38390718849338 9550605 CCOP(=O)(C1=CC=CC=C1OCCCCCOC2=CC=CC=C2P(=O)(O)OCC)O 1 3.647 0 8 0 -4.3081226838361 9550603 CCOC1=CC=CC(=C1)CNC2CN3CCC2CC3.Cl Cl- 1 2.236 2 1 6.01314813817056 9550602 CN(C)CCCN1C2=CC=CC=C2N=C1NCC3=CC4=C(C=C3)OCO4.Cl Cl- 1 2.982 4 2 -6.01722194988076 9550601 COC1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)OC)/O)/C(=O)C(=O)N2C4=NC=CC=N4 1 2.662 3 5 0 -4.67557496671945 9550600 CC1=NC=C(C=C1)C(=O)NN/C=C\2/C=CC=N2 1 -0.491 4 1 0 -7.71406098579093 9550598 CCOC(=O)C1=CN=C2C(=C1NCCN(C)C)C=CC=C2Cl.Cl Cl- 1 2.832 3 2 -4.47587138976481 9550597 C1=CC=C2C=C(C=CC2=C1)C(=O)O/N=C(/CC3=CC=C(C=C3)Cl)\N 1 3.994 2 2 6.70366785330008 9550596 CC1=CC=C(C=C1)CCCOC(=O)C[N+]2(CCOCC2)C.[I-] I- 1 1.207 1 3 0 -5.86228686751275 9550595 CCOC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4OC 1 2.63 3 5 0 -21.405559339764 9550594 COC1=CC=CC(=C1)C2=NOC(C2)C(=O)NCC3=CC=CS3 1 2.112 2 3 -7.55668849636202 9550593 CCOC1=CC=C(C=C1)NC(=O)CCCOC2=CC(=O)N(C3=CC=CC=C32)C 1 2.684 2 4 -8.44541634771627 9550591 CC1=C(C=C(C=C1)N/C(=C(/C#N)\C(=O)NCC2=CC=CO2)/SCC3=CC=CC=C3C)C 1 5.716 3 2 -28.1351735289245 9550590 C1=CC=C(C(=C1)OCC(=O)O/N=C(/CC2=CC=CS2)\N)Cl 1 2.874 2 3 -1.08038849148047 9550589 CC(C)OC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CO4)/O 1 2.807 2 5 0 -10.3259360641119 9550588 CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)N3CCN(CC3)C4=CC=CC=C4OC 1 4.328 3 4 0 -1.19823134075806 9550587 CC1=C(C(=CC=C1)C)NC(=O)C2(CCCC2)N(CC3=CC=CO3)C(=O)CC4C(=O)NC(=O)N4 1 2.334 4 5 0 -27.4757392854978 9550586 COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3CCCC3)CC4=CC=CO4 1 2.54 4 5 0 -31.6278919025403 9550585 CCOC(CNC(=O)C1=CC(=NN1C2=CC=CC=C2)C)OCC 1 2.474 3 3 -8.73965490858933 9550584 CCCCNC(=O)CSC1=NC2=C(C(=O)N1C3CCN(CC3)C(=O)OCC)SC=C2 1 2.94 4 4 0 -35.4902569752886 9550583 CCN(CC)CCCNC(=O)C1CCCN(C1)C2=NN=C(S2)N3CCCC3=O 1 0.683 6 2 0 -17.8279970957973 9550582 CC1=CC(=C(C=C1)NC(=O)NC2=CC=CS2)Cl 1 3.46 2 1 -3.87409770349156 9550581 CCN1C(=CC2=C1C3=CC=CC=C3O2)C(=O)N4CCC5=CC=CC=C5C4 1 4.636 2 2 -7.58806722540969 9550580 CCN(CC)CCCNC(=O)C1=C(C(=C(N1)C)C(=O)NC2CCCCC2)C 1 3.02 4 2 -13.2781186509402 9550578 CCOC(=O)C1=C(N(C(=C1C=O)C)CC2=CC=CC=C2Cl)C 1 3.632 1 3 -8.02704637893762 9550577 CCOC(=O)C1CCN(CC1)C(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3 1 2.767 2 4 -13.271791020538 9550576 CC1=C(C(=CC=C1)N2CCN(CC2)CCNC(=O)CN3C=CC=C3C(=O)C4=CC=CC=C4C)C 1 5.111 4 2 -9.17223519173112 9550575 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NC(C)C4=CC=CC=C4 1 2.856 5 2 0 -10.871108246131 9550574 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(C)N3C(=O)C4=CC5=C(N4C(=N3)C)C=CO5)C 1 3.621 5 3 0 -3.46319800039878 9550573 CN1C(=CC2=C1C3=CC=CC=C3O2)C(=O)NCCOC 1 2.292 2 3 -6.34838844156531 9550572 COC1=CC=C(C=C1)CNC(=O)CCN2C=CC=C2 1 2.004 2 2 -12.0316759589663 9550571 CCC1=CC=CC(=C1N(COCC)C(=O)CN2C3=CC=CC=C3N=C2COC)C 1 4.019 3 3 -8.58145517351094 9550570 CC1=CC2=C(C=C1C)N(C(=N2)C)CCCNC(=O)NC3=CC=C(C=C3)F 1 3.817 4 1 -8.89089959411913 9550569 CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C#N)C(=O)N4C=CC=C(C4=N3)C 1 2.379 4 2 -15.1489853313466 9550568 CCN(CC)CCNC(=O)CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=O 1 2.003 4 5 0 -21.2371677615712 9550567 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCCCC(=O)NCC3=CC=CO3)OCC 1 2.742 3 6 0 -22.3692088592645 9550566 C1=CC=C(C=C1)/C=C(/C=NNC(=O)CNC2=CC=CC3=CC=CC=C32)\Br 1 4.065 3 1 -10.1820397931948 9550564 COC1=CC=C(C=C1)C2=CSC(=NN2)N=CC3=CC=C(C=C3)F.Br Br- 1 3.116 3 1 -0.36258644560624 9550563 C1=CC(=C(C=C1N2C(=O)NC3=CC(=C(C=C3N2O)Cl)Cl)Cl)Cl 1 4.653 3 2 -1.1293104795892 9550562 CCCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)NC(=O)C 1 3.798 3 2 -5.20196335789054 9550561 COC1=C(C=C(C=C1)C2=CSC(=[N+]2CC=C)NNC(=O)NC3=CC=CC=C3)OC.[Br-] Br- 1 3.733 4 3 0 -12.1159974092927 9550560 CCN(CCCNC(=O)C1CCC(=O)N1CC2=CC=CC=C2Cl)C3=CC=CC(=C3)C 1 3.986 3 2 -13.1254455123421 9550559 CCOC(=O)CCC(=O)N1CCOCCOCCOCC1 1 -0.575 1 6 0 -17.5559897617447 9550558 CC1=C(OC(=[N+]1[O-])C2=CC=CC=C2Cl)C.Cl Cl- 1 1.9 1 2 0 2.87580639275745 9550557 C1CC(OC1)CSC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-] 1 3.225 4 7 0 -15.5625121955878 9550556 CCN(CC)CCOC1=CC2=C(C=C1)C3=C(C2=NO)C=C(C=C3)OCCN(CC)CC.Cl Cl- 1 4.629 3 3 -1.58371205888004 9550555 COCCCNC(=O)CNC(=S)N(CC1=CC=C(C=C1)F)C2CCCCC2 1 3.832 3 2 -17.0300590569878 9550554 CC1CCN(CC1)CC(C)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 4.268 4 1 -10.4093348599828 9550553 CCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-] 1 4.353 5 5 0 -3.13126339311822 9550552 CN1CCN(CC1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC 1 1.16 5 5 0 -15.4127618442538 9550551 CC1CC(CN(C1)C(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NCCO)C 1 3.047 2 4 -6.82826461985652 9550550 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC=C(O3)Br)N4CCCCC4 1 4.248 3 2 -4.11411307904909 9550549 CCN(CC)C(=O)C1CC(=O)N(C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC 1 2.792 2 4 -7.52007179371067 9550548 CCOC(CNC(=O)C1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C)OCC 1 3.01 3 3 -8.99853379422479 9550547 CC1=CC(=[NH+]C2=CC=CC=C2N1)C.O.[Cl-] Cl- H2O 1 1.786 2 0 0 -4.50104448504024 9550546 CC(=O)C1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.108 3 4 0 -14.658483816032 9550545 CC1=CC=C(C=C1)N(CC(=O)NC2=CC(=CC(=C2)C)C)S(=O)(=O)C3=CC=CC4=NON=C43 1 4.188 4 4 0 -12.8453171135937 9550544 C1COCCN1CCNCC2=CC=CS2.Cl Cl- 1 0.934 2 1 0 -3.10210547477979 9550543 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)NCCCN3C=CN=C3 1 1.518 4 3 0 -2.67960720621161 9550542 CC1=CC=C(C=C1)N2C=C(N(C2=O)CC(=O)NC3=C(C=C(C=C3)OC)OC)C4=CC=C(C=C4)OC 1 3.401 3 5 0 -11.2346637084961 9550541 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC(=O)NCCC3=CC=CC=C3)CC4=CC=CC=C4)OC 1 3.491 3 5 0 -15.4268892203545 9550540 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NCC3=CC=CO3)OC 1 2.463 2 5 0 -11.4922002531051 9550539 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NCCCN3C=CN=C3)OC 1 1.501 4 4 0 -8.09561208281155 9550538 COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=C(C=C3)OC)CN4C=CC=N4)/CC2 1 4.463 2 3 -4.75896982207472 9550537 CCN1CCN(CC1)C(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 -0.188 4 3 0 -18.1824135697195 9550536 CCOC(=O)N1CCC(CC1)NC(=O)C(CC(C)C)NC(=O)C2CCC(CC2)C 1 2.89 3 4 0 -22.5135420704264 9550535 CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CC=CC=C3OC 1 1.635 2 5 0 -18.5700645264283 9550534 CC1=NN(C(=C1C(=O)OC)N2C=CC=C2)C3=CC=CC=C3 1 3.195 3 2 -5.18368495025639 9550533 CC1=CC=CC=C1C(=O)C2=CC=CN2CC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.722 2 4 -17.1513448856508 9550532 CCCN1CCCC2=C1C=CC(=C2)CN(CCCN3CCOCC3)C(=O)NC4=CC=C(C=C4)OCC 1 4.522 4 3 0 -14.3078438545216 9550531 CCCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CO3)C4CCCCCC4)OC 1 4.169 2 5 0 -13.2199220375228 9550530 CCOC(=O)C1=C(N(C(=C1C=O)C)CC2=CC=C(C=C2)Cl)C 1 3.632 1 3 -5.42674284448988 9550529 CC1=CC(=CC=C1)CN2C(=CC=C2C(=O)OC)C3=CC=CO3 1 4.551 1 3 -2.40937742551758 9550528 CCOC1=C(C=C(C=C1)CCNC(=O)C2CCC(=O)N2CCC3=CC=CC=C3)OCC 1 3.504 2 4 -17.553819284141 9550527 COC1=CC(=CC(=C1OC)OC)C2=NN(C(=C2)N)S(=O)(=O)C3=CC=CC=C3 1 2.906 3 5 0 -7.79414742718777 9550526 CCCS(=O)(=O)N1C(=CC(=N1)C2=CC=C(C=C2)OC)N 1 2.235 3 3 -3.88049924702114 9550524 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN4C(=NN=C4C5=CC=C(C=C5)F)C=C3 1 3.135 6 2 0 -12.2711250281984 9550523 CCOCCCN(CC1=CC=CO1)C(=O)C2=CC3=C(S2)C4=C(C=CC(=C4)C)NC3=O 1 3.493 2 4 -15.3715857921432 9550522 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5 1 2.019 4 5 0 -15.8762413652798 9550521 COC1=C(C=C(C=C1)S(=O)(=O)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)N)OC 1 3.587 3 4 0 -4.86227683398782 9550520 CCOC1=CC=C(C=C1)C2=NN(C(=C2)N)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 3.255 3 5 0 -7.79242193679176 9550519 CC1=CN=C(C=C1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.707 5 3 0 -18.605666700053 9550518 CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.423 4 5 0 -14.4822221977282 9550517 C1CC(C2=CC=CC=C2C1)NC(=O)C3CCC(CC3)CNS(=O)(=O)C4=CC=CC5=NSN=C54 1 4.42 4 3 0 -14.8315520690304 9550516 CN(CC(=O)NCCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.324 3 6 0 -25.9974193910236 9550515 CC(C)CC(C(=O)NCC1=CC=CC=C1OC)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 2.8 3 6 0 -21.8724088663801 9550514 C1CCC(=CC1)CCNC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4 1 3.614 3 4 0 -25.7097800999959 9550513 CCCCN(C)C(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C 1 2.522 4 5 0 -22.8914446825667 9550512 CCC(C)NC(=O)CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(C(=O)N(C2=O)C)C 1 0.403 4 5 0 -27.8902844359821 9550511 CCC(CC1=CC=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C 1 1.959 4 5 0 -20.820362337918 9550510 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=O)O2)CC(=O)OCC 1 1.841 2 6 0 -13.3267769832173 9550509 CC1=CC(=CC(=C1)NC(=O)C2=NC=CN=C2C(=O)O)C 1 1.772 3 3 0 -8.93965352764583 9550508 CC1=C(C(=NN1C)C)S(=O)(=O)N(CC(=O)NC2CCCCCC2)C3=CC=C(C=C3)C(C)C 1 4.17 4 3 0 -14.3828349500235 9550507 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)NC4=CC(=C(C=C4)C)C 1 3.44 3 5 0 -21.0933682472628 9550506 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.824 3 5 0 -21.4880722681571 9550505 CC1=CSC(=N1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C 1 1.334 4 5 0 -12.2459946417042 9550504 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F)OC1=O 1 2.132 3 5 0 -17.3416958578572 9550503 C1=CC=C(C=C1)C2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)F 1 3.161 3 2 -0.890487891032702 9550502 CCN1/C(=C\2/C=NC3=CC=CC=C32)/NN=C1SCC(=O)NC4=NN=C(S4)SCC 1 3.006 7 1 0 -24.3663489024067 9550501 CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)NC3CCCCC3 1 3.509 4 1 -8.44301130768337 9550500 CCC1=CC=C(C=C1)NC(=O)N(CCN2CCOCC2)CC3=CC4=C(C=C3)N(CCC4)CC 1 4.546 4 2 -12.9765462742735 9550499 CC1=CC=C(C=C1)CN2CCN(C2=O)CC(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F 1 2.765 5 2 0 -10.1932265759763 9550498 CCCCNC(=O)C1=CC=C(C=C1)CNC2=C(C(=O)C2=O)N3CCC(CC3)C(=O)OCC 1 2.022 3 5 0 -12.3107723939456 9550497 COCCNC(=O)C(=O)NC1=CC(=CC=C1)Br 1 0.921 2 3 0 -11.90188537104 9550496 CCCN1CCCC2=CC=CC=C21.Cl Cl- 1 3.395 1 0 -8.41620520637284 9550495 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=O)COC4=CC=CC=C4 1 3.431 3 3 -0.718156984058989 9550494 CCOP(=O)(C1=CC=CC=C1OCCOC2=CC=CC=C2P(=O)(O)OCC)O 1 2.548 0 8 0 -5.47024366759521 9550493 CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=O)NC4=CC(=C(C=C4)C)C 1 4.576 4 2 -12.9264601824565 9550492 CNC(=O)C1=C(SC2=C1CCCC2)NC(C(=O)C3=CC=C(C=C3)Cl)NC(=O)C4=CC=CO4 1 4.607 3 4 0 -19.2433364364707 9550491 CC1=CC=C(C=C1)NC2=C(C(=O)OC2OC(=O)C3=CC=CO3)Cl 1 3.431 1 5 -5.11300947387928 9550490 CCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 1 2.329 4 3 0 -10.3088443024563 9550489 CCOC(=O)C1=C(N/C(=C/C2=CC(=C(C=C2)OC)OC)/C1=O)C 1 1.743 1 5 0 -17.4675785451885 9550488 CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C=CSC3=NC2=O)OCCCOC4=CC=CC=C4C 1 4.309 3 4 0 -17.6399466284679 9550487 CC1=CC=C(C=C1)/C(=C/2\C(OC(=O)C2=O)C3=CC=C(C=C3)Cl)/O 1 3.968 0 4 0.563346431455391 9550486 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)F 1 3.322 4 3 0 -3.66678223213195 9550485 C1=CC2=C(N=C1)SC(=N2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(S4)Cl 1 3.62 3 2 7.54462232058273 9550484 CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)C4=CC=CC=C4 1 4.831 3 2 -4.66564224798574 9550483 COC1=CC=C(C=C1)C2=NC(=CS2)CNS(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.871 2 5 0 -6.48683684279926 9550481 CCCCCCCC(=O)OC(CN1CCCCC1)CN2CCCC2=O.Cl Cl- 1 3.707 2 3 -17.5982100710029 9550480 CC1=CC2=C(C=C1)OC(=O)C3=C2N(N=C3)CC(=O)N(CCN(C)C)CC4=CC=CO4 1 2.547 4 4 0 -17.3592836898046 9550479 CC1=NOC(=C1Cl)C(=O)NCC2=CC=CC=C2 1 2.314 2 2 -4.88604733466071 9550478 CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C4=CC=CC=C4N=C3C 1 4.011 2 3 -2.98951325742165 9550477 COC1=C(C=C2C(=C1)C3=NN=C(C3=CN2CC4=CC=C(C=C4)F)C5=CC=C(C=C5)F)OC 1 5.956 3 2 -2.2615836045282 9550476 CN1CCN(CC1)C(=O)C2CC(=NO2)C3=CC=C(C=C3)F 1 1.174 3 2 0 -5.67377132359521 9550475 COC(=O)C(CCSC)NC(=O)CN1C2=C(C=N1)C(=O)OC3=CC=CC=C32 1 1.47 3 5 0 -25.5151480917218 9550474 CC1=C(N=C(O1)C2=CC=CC=C2F)CS(=O)(=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.646 3 4 0 6.24895807418534 9550473 CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C 1 4.387 3 1 -6.40314031416225 9550472 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NCC3=CC=C(C=C3)OC 1 3.536 1 4 -8.63329466114689 9550471 COC1=CC=CC(=C1)CN2C(=C(N=N2)C(=O)NCCC3=CC=C(C=C3)Cl)N 1 3.163 5 2 0 -15.4130022271133 9550470 CC1=C(C(=NC2=CC(=NN12)C3=CC(=CC(=C3)OC)OC)C)CCC(=O)NCC4=CC=CO4 1 3.046 4 4 0 -20.6402111105058 9550469 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)F)C)CCC(=O)NCCN4CCOCC4 1 2.2 5 2 0 -18.0225007021116 9550468 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)F)C)CCC(=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 4.414 5 1 -7.37125982891651 9550467 CC1=C(C(=NC2=CC(=NN12)C3=CC=C(C=C3)Cl)C)CCC(=O)N4CCN(CC4)C5=CC=CC=N5 1 4.202 6 1 0 -5.12358284886139 9550466 CC1=CC=C(C=C1)N2C3=NC(=C(C(=C3C(=N2)C)C)CCC(=O)NC(C)C4=CC=CC=C4)C 1 5.502 4 1 -15.535845895688 9550465 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)N4CCN(CC4)C 1 2.473 3 2 -4.96949282822436 9550464 C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)Cl 1 4.284 3 1 -2.08604731053481 9550463 C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)N/N=C(/COC3=CC=C(C=C3)F)\N 1 2.915 4 3 0 -3.43077067643891 9550462 C1=COC(=C1)CNC(=O)CC2=CC=C(C=C2)N3C(=O)C4=C(C=CS4)N(C3=O)CC5=CC=C(C=C5)F 1 4.303 3 4 0 -17.2433788430949 9550461 CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2N4C(=CC(=N4)C)C 1 4.426 5 0 -2.46345386722578 9550460 CC(CCC1=CC=CC=C1)NC(=O)C2=NN=C(O2)CC3=CC=C(C=C3)Cl 1 4.181 3 2 -9.30579787945741 9550459 CCC1=NC2=C(C=NN2C3=CC=C(C=C3)F)C(=O)N1C4=CC=C(C=C4)N5CCC(CC5)C 1 5.166 5 1 -3.91768080983878 9550458 CCC(C)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)NCC4=CC=CO4 1 4.779 3 3 -8.81553169432649 9550457 CC1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CCN4CCOCC4 1 2.967 3 2 -8.63112896081048 9550456 CCOC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C 1 3.503 3 3 -7.53892645547322 9550455 CC1=CN=C(C=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC=CC=C4 1 4.105 3 1 -5.91824724831452 9550454 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.356 3 4 0 -18.209524488364 9550453 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CS(=O)CC(=O)NCC3=CC=CS3 1 2.497 2 3 6.11532903474565 9550452 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCCC3=CC=C(C=C3)C 1 1.826 3 4 0 -2.52723643675953 9550451 CC(C1=CC=CC=C1)NC(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O 1 2.144 3 5 0 -22.3147684479552 9550450 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)C 1 2.284 4 3 0 -12.0022989020939 9550449 COC1=C(C=CC(=C1)C2C3=C(C(=O)N2C4=CC=C(C=C4)C(=O)O)NN=C3C5=CC=CC=C5)O 1 4.24 3 5 0 -7.40066570271116 9550448 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=CO5 1 3.454 3 4 0 -19.1687842606307 9550447 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3C5=CC=CC=N5 1 2.424 4 4 0 -21.998302970053 9550446 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NCCC(C)C)/C=C\C3=CC=C(C=C3)OC 1 3.205 3 5 0 -17.7412859891318 9550445 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC=CC=C3)/C=C/C4=CC=CO4 1 2.997 3 5 0 -12.708264645697 9550444 CC1=CC(=CC(=C1)N(CC(=O)N2CCC(=CC2)C3=CC=CC=C3)S(=O)(=O)C4=C(ON=C4C)C)C 1 3.73 3 4 0 -15.2624476439863 9550443 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N(CC(=O)NC2CCCCC2)C3=CC=C(C=C3)OC 1 0.801 4 6 0 -25.8883268311267 9550442 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3C4=C(C=C3C(=O)OC)SC=C4 1 4.86 2 3 10.9521927058841 9550441 CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)SCC(=O)N3C)C 1 3.049 3 2 -8.34988150738108 9550440 CCCOC1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3OC2=O 1 3.045 2 4 -9.90551376387812 9550439 CC(=O)N1CCC(CC1)N(C2CCCC2)C(=O)NC3=CC=C(C=C3)F 1 2.13 3 2 -5.24448281759247 9550438 CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(N2)C=NC=C3)C 1 2.887 4 1 -7.654131341413 9550437 CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCOCC4)C 1 2.254 3 4 0 -7.35971278814062 9550436 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCCC4 1 2.548 3 3 -8.12448417443509 9550435 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NC4=CC(=CC(=C4)OC)OC 1 2.89 3 5 0 -9.78622760725118 9550434 C1CCN(C1)C2=NN3C(=NN=C3C4=CC=CC=C4)C=C2 1 2.32 5 0 6.19506874763044e-002 9550433 COC1=CC=CC=C1NC(=O)CN2C3=C(COC4=CC=CC=C43)C=N2 1 2.646 3 3 -9.94922740082145 9550432 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)N4C=CC=C4)C 1 5.037 3 1 0.843685265887612 9550431 CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)NC3=CC(=CC(=C3)C)C 1 2.864 2 4 -5.44866018341228 9550430 CCN(CCNC1=C(C(=O)C1=O)N2CCCC(C2)C(=O)OCC)C3=CC=CC=C3 1 2.197 3 4 0 -10.492945211974 9550429 CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)NCCN3CCN(CC3)C4=CC=CC=C4F 1 1.026 5 4 0 -1.78738673801187 9550428 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCCC3=CC=CC=C3 1 1.339 3 4 0 -3.34205134153913 9550427 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCCCN3CCCCCC3 1 1.009 4 4 0 -3.14277401817121 9550426 CCCCN(CC)C(=O)CN1C2=C(COC3=C2C=C(C=C3)C)C=N1 1 3.456 3 2 -12.0385458347989 9550425 CC1=CC(=C(C=C1)OC)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCOCC4 1 1.912 3 5 0 -8.29338824167083 9550423 CCN1CCN(CC1)C(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3 1 2.204 3 3 -14.2325957984931 9550421 C1=CC(=CC(=C1)F)CSCC(C(=O)O)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 3.182 2 6 0 -15.3007593072371 9550420 CC(C)C1=CC(=NO1)C(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 3.403 2 4 -16.3151694892874 9550419 CCC1=CC=C(C=C1)NC(=O)C2=NOC3=C2CCC4=CC=CC=C43 1 4.85 2 2 -5.12039608955082 9550418 CC1=CC(=C(C(=C1)C)CN2C3=C(C(=O)N(C2=O)CCCC(=O)NCC4=CC=CO4)SC=C3)C 1 4.366 3 4 0 -19.6849905433375 9550417 CC1(N=C(C(=N1)SCC(=O)NC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3)C 1 4.533 3 1 -4.44753778618623 9550416 CCC(C)NC(=O)C1C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3OCC 1 3.358 2 3 -15.8956375651321 9550415 COC1=CC=CC(=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4CCCO4 1 2.118 2 4 -14.7076870431676 9550414 COC1=CC(=CC(=C1OC)OC)N2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4 1 4.087 2 5 0 -6.29622964767121 9550413 CC1=CC=CC=C1CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)NCCCOC 1 3.769 3 4 0 -14.0916038666439 9550412 C1=CC=C2C(=C1)C(=O)N(C(=O)N2CC3=CC(=CC=C3)Cl)CC4=CC=C(C=C4)C(=O)NCC5=CC=CO5 1 4.781 3 4 0 -8.96764874262736 9550411 C1CCCC(CC1)NC(=O)CCCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=O 1 3.378 3 3 -12.7772244750581 9550410 CC1=CC=CC=C1NC(=O)NCCCN2CCN(CC2)C3=CC=CC=C3 1 3.263 4 1 -7.0325004183407 9550409 C1CN(CCN1CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4F)C(=O)C5=CC=CO5 1 2.994 5 5 0 -5.42753867826218 9550408 COC1=CC(=C(C=C1)OC)C(=CC(=O)C(=O)NC2=C(C=CC(=C2)OC)OC)O 1 2.355 1 7 0 -7.00438293284278 9550407 COC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)N4CCN(CC4)CC5=CC=CC=C5 1 4.307 3 2 0.39543468857444 9550406 CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCOCC)SC3=CC=CC=C31 1 4.306 2 2 -14.7989567586977 9550405 CN1CCN(CC1)C(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 -0.537 4 3 0 -16.5757576662686 9550404 CC1=CC=C(C=C1)N2C=C(N(C2=O)CC(=O)NC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)OC 1 3.401 3 5 0 -11.6116706942604 9550403 CC1=C(C(=NN1)C)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)NC5=CC=CC=C5F 1 4.222 7 1 0 -14.3856877115611 9550402 CCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=C(C=C3)OC)SCC)C 1 2.607 4 3 0 -18.0220880799905 9550401 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)O 1 2.528 0 5 -9.51334496946344 9550400 CC(C)CC(C(=O)N1CCN(CC1)C2=CC=CC=N2)NC(=O)C3CCCCC3 1 3.499 4 2 -11.1539869039112 9550399 CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NC2=NC=C(C=C2)C 1 3.978 3 2 -19.4563979359417 9550398 CCC(C)C(C(=O)NC1CCN(CC1)C(=O)OCC)NC(=O)C2CCC(CC2)C 1 2.957 3 4 0 -25.62447656764 9550397 CCC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C2CCC(CC2)C 1 3.243 3 2 -25.9701713540194 9550396 C1=CC(=CC=C1CCNC(=O)CCN2C(=O)C3=C(C=CS3)NC2=O)Cl 1 2.601 3 3 -14.796169332294 9550395 CC1=CC=C(C=C1)CC2=C(N3C(=NC(=N3)SCC(=O)NCCN4CCOCC4)N=C2C)C 1 3.215 6 2 0 -21.8345577041847 9550394 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)NCCC3=CC=CC=C3)Br 1 3.385 2 4 -23.9882114201847 9550393 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)NC1=O 1 3.457 4 3 0 -8.74046424109123 9550392 C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4 1 1.772 4 4 0 -15.1147891501566 9550391 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)N3CCC(=CC3)C4=CC=CC=C4)OC 1 2.337 3 5 0 -16.1987988029783 9550390 CC1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC(=C(C=C4NC3=O)OC)OC 1 2.899 4 5 0 -16.1656953057247 9550389 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 2.799 1 5 -15.8070380777553 9550388 CC(C)CCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)OC 1 3.257 2 4 -20.9382802838059 9550387 CCOC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCC(CC3)C)OCC 1 2.38 3 5 0 -22.2332680840497 9550386 CCOC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3)OCC 1 2.128 3 5 0 -20.8413108400869 9550385 CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCCC2=CC=C(C=C2)Cl 1 3.594 3 3 -16.8909954762106 9550384 CCCCNC(=O)CCC1=NC2=C(N1CC3=CC=C(C=C3)OC)N=CC=C2 1 3.18 4 2 -18.5122531123472 9550383 CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)C3CCN(CC3)C(=O)OC(C)(C)C 1 4.531 3 4 0 -4.91238808737097 9550382 COC1=CC=C(C=C1)C2=NOC(C2)C(=O)NCC3=CC=CS3 1 2.112 2 3 -10.5031168641132 9550381 CCC1=CC=CC=C1NC(=O)C2CC(=NO2)C3=CC=C(C=C3)F 1 3.53 2 2 -4.76420745932136 9550380 COCCNC(=O)C1CC(=NO1)C2=CC=C(C=C2)F 1 0.88 2 3 0 -10.5949400670887 9550379 COC1=CC(=C(C=C1)OC)C2=NOC(C2)C(=O)NCC3=CC=CO3 1 1.538 2 5 0 -11.0176597449451 9550378 COC1=C(C=C(C=C1)C2=NOC(C2)C(=O)NCC3=CC=CS3)OC 1 2.096 2 4 -12.8752991464372 9550377 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=C(C=C4)C 1 4.045 3 3 -8.62766762698598 9550376 CC(C(=O)NCCC1=CC=C(C=C1)Cl)SC2=C(SC=C2)[N+](=O)[O-] 1 4.165 2 3 -8.84140822169208 9550375 CCN1C2=C(C=C1C(=O)NCCC3=CC(=C(C=C3)OCC)OCC)SC=C2 1 4.7 2 3 -10.6739826682988 9550374 CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)CCC(=O)NCCCOC)C 1 3.014 2 4 -16.614512001698 9550373 CCN(CC)CCCNC1=NC2=CC(=C(C=C2C3=NC(=NN31)C4=CN=CC=C4)OC)OC 1 2.527 7 2 0 -6.70789852428596 9550372 CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)NC3=CC=C(C=C3)F 1 1.112 3 4 0 -2.6997427535193 9550371 C1CCC2=C(CC1)SC=C2C(=O)NCC3=CC=CC=C3Cl 1 4.787 1 1 -10.3521607945238 9550370 CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)N4CCN(CC4)C5=NC=CC=N5)C 1 2.742 6 1 0 2.43883860783662 9550369 CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)SCC(=O)N3C 1 1.816 3 3 0 -11.3735820351144 9550368 COC1=CC=C(C=C1)CN2C(C3=C(C2=O)C=CC=N3)O 1 1.508 2 3 0 -3.24023663253132 9550367 CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)/C(=C\N(C)C)/C#N 1 4.524 2 2 -0.748420452955522 9550366 CC1=CC(=C(C=C1)NC(=O)C2=C(C=CS2)N3C=CC=C3)C 1 4.416 2 1 -8.9449588232547 9550365 CCN1C(=CC2=C1C3=CC=CC=C3O2)C(=O)NCC4=CC=CC=C4OCC 1 4.688 2 3 -7.48019819783282 9550364 CC1CCN(CC1)C2=[N+](N(N=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4)[O-] 1 2.032 5 5 0 -4.07506257882783 9550363 CCCCN(CC)CCNC(=O)C1=C(C(=C(N1)C)C(=O)C)C 1 2.611 3 2 -10.2388395880503 9550362 CCOC1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CCOC 1 1.983 2 4 0 -11.8345299798453 9550361 COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 2.582 4 3 0 -4.51220398313442 9550360 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=CN(C4=CC=CC=C43)C 1 4.558 3 1 -1.03154017213139 9550359 C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC(C(=O)N42)C5=CC=CC=C5 1 4.604 4 2 -19.6958364673044 9550358 COC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)N 1 1.518 6 5 0 -24.9992279085592 9550357 COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)N4CCN(CC4)C5=CC=CC=C5 1 3.837 3 3 2.65632918321815 9550356 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)CO)C(=O)NC3CCN(CC3)C(=O)OCC 1 1.784 3 7 0 -12.5231886730832 9550355 COC1=CC=C(C=C1)CN/C=C/2\C(=NNC2=O)C(F)(F)F 1 1.394 3 2 0 -9.50298225954266 9550354 CCC1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCN(CC4)C(=O)OCC 1 3.087 3 4 0 -10.2349637174822 9550353 CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)NCC5=CC=C(O5)C 1 4.158 4 3 0 -7.60286978156237 9550352 CCC1=CC=C(C=C1)NC(=O)C2=CC3=CC4=C5C(=C3OC2=N)CCCN5CCC4 1 4.865 3 2 -12.4962430774359 9550351 CCC1=NN2C(=N)/C(=C\C3=CC=C(O3)SCC4=CC=CO4)/C(=O)N=C2S1 1 3.924 4 3 0 -17.0782320685347 9550350 CCC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)C3=CC=CC=C3F 1 3.291 3 2 -4.30605401232982 9550349 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CS3 1 3.43 1 4 -16.3138770478121 9550348 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CSCC(=O)NC3CCCC4=CC=CC=C34 1 4.188 2 4 -3.17692115639154 9550347 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NC3=CC=CC=C3C(=O)OCC 1 2.335 2 5 0 -12.0795224490398 9550346 CC1=C(C(=NC2=CC(=NN12)C3=C(C=C(C=C3)OC)OC)C)CCC(=O)NC(C)CCC4=CC=CO4 1 3.993 4 4 0 -21.2945374095919 9550345 CC1=C(C(=NC2=NC(=NN12)C)C)CCC(=O)NC3=CC(=CC(=C3)OC)OC 1 2.004 5 3 0 -18.253271961139 9550344 CCOC(=O)N1CCC(CC1)NC(=O)CCC2=C(N=C3C(=C2C)C(=NN3C4=CC(=C(C=C4)C)C)C)C 1 4.39 5 3 0 -11.823264500328 9550343 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CC=C(O3)C 1 2.023 2 3 -11.5931941015125 9550342 CCS(=O)(=O)NC1=CC=CC(=C1C)C2=NC3=C(S2)N=CC=C3 1 2.633 3 2 -2.38336615140893 9550341 CCC1=CC=C(S1)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)N=CC=C4 1 3.974 3 2 3.11786052536624 9550340 CC1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 2.443 3 3 -15.7149804210015 9550339 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCCCN3S(=O)(=O)C4=CC=C(C=C4)F 1 4.072 3 3 -10.2971806081185 9550338 C1=CC=C(C=C1)CC(C(=O)NCC2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=CS3 1 3.416 2 3 -15.6025017647967 9550337 C1CCC(CC1)N=C2/C(=C\3/C=C(C=CC3=O)Br)/NC4=CNC=CN42 1 1.114 4 1 0 -5.27997376813149 9550336 CC1=C(C(=CC=C1)N(CC(=O)NNC2=C3C=CC=CC3=NC2=O)S(=O)(=O)C)C 1 1.056 4 4 0 -15.2739982108284 9550335 CC1=CC(=NC2=CC=CC=C12)OCC[N+]3(CCCCC3)C.[I-] I- 1 2.726 2 1 1.16177101285723 9550334 CCOP(=O)(C1=C(OC(=N1)/C=C/C2=CC=CC=C2)NCC3=CC=C(C=C3)OC)OCC 1 4.099 2 5 0 -0.374697242187141 9550333 COC1=C/C(=C/NNC2=NC(=NC(=N2)N3CCCC3)N4CCCC4)/C=CC1=O 1 0.508 7 2 0 1.69823734283489 9550332 CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCN(CC3)C 1 3.642 2 3 -1.31787700864575 9550331 CC\1=NOC(=O)/C1=C\C2=CC=C(O2)C3=CC(=CC=C3)Cl 1 3.582 1 3 12.5006127679692 9550328 CC1=CC=C(C=C1)C(=O)CC(=O)C2=C(C=CC(=C2)Cl)O 1 4.063 0 3 7.78451479885808 9550327 CC1=CC=C(C=C1)S(=O)(=O)N=C(C)N2CCN(C2C(C)C)S(=O)(=O)C3=CC=CC=C3 1 2.677 3 4 0 -12.9911067716216 9550326 CC(C)OC(=O)NCN1C(=O)C2C3CC(C2C1=O)C=C3 1 0.654 2 4 0 -7.8334940197673 9550325 [B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[NH+]CCCO)C3=C(O2)C=CC(=C3)Cl F[B-](F)(F)F 1 3.48 1 2 6.30759183654042 9550324 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)CC4=CC=CC=C4OC)C(=C2)C 1 3.693 4 2 -5.59910635470158 9550323 CCCN(CCC)CCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)CCOC)C3=CC=C(C=C3)F 1 3.787 3 3 -9.386943706732 9550322 CC1=C(C(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32)C 1 3.341 3 3 -11.0812606210048 9550321 COCCNC(=O)C1CCC(=O)N(C1C2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)OC 1 2.197 2 6 0 -20.1518035613911 9550320 CCN(CC)C1=NC2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)Br)C(=C1)C 1 4.029 3 2 -5.54700311242881 9550319 COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 4.272 4 2 0.663679699935868 9550318 CCCN(CCC)CCNC(=O)C1CC(=O)N(C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC 1 3.772 3 4 0 -9.47050300671681 9550317 CCC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 4.166 4 3 0 -15.3523008874244 9550316 CN(CC(=O)N1CCN(CC1)C2=CC=CC=N2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 1.358 6 3 0 -7.27617926124622 9550315 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(C(C)C)C(=O)NC3CCCC4=CC=CC=C34 1 3.795 3 4 0 -28.6419694637593 9550314 CCOC(=O)/C(=C/C(=C(\N)/N1CCN(CC1)C2=C(C=CC=C2C)C)/C(=O)OCC)/C#N 1 3.378 4 4 0 -5.08994414611987 9550313 CCOC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C(=O)N3C)C 1 1.282 3 5 0 -8.38446875700035 9550312 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=C(N(N=C3C)C)C 1 2.928 4 5 0 -16.3477734529942 9550311 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCC5=CC=CC=C5C4 1 2.633 3 4 0 -24.6401688972796 9550310 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)N4CCC5(CC4)OCCO5 1 0.932 3 6 0 -21.799369315071 9550309 CCN(C1=CC(=C(C=C1)C)C)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCC(=O)O 1 3.091 2 5 0 -24.9983914087923 9550308 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=C(C=C(C=C3)OC)OC)C(=O)N(C1=O)C 1 0.739 4 7 0 -25.8283872129005 9550307 CC1=C(C(=CC=C1)NC(=O)CSC2=NC(=O)C3=C(N2)CCCC3)C 1 3.631 3 2 -18.5537095171649 9550306 CN(CC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CN=CN3 1 0.518 5 3 0 1.80094168589018 9550305 CCC1CCCN1CN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Cl 1 3.688 4 1 -1.31551862072069 9550304 CCOCCCNC(=O)CCCC1=NS(=O)(=O)C2=CC=CC=C2N1 1 0.692 3 4 0 -23.2414629230277 9550303 CCC1=NC2=C(C(=N1)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)C(=O)N(C(=O)N2C)C 1 3.363 5 3 0 -15.2497015298773 9550302 CC(C(C1=CC=CS1)N2CCOCC2)NC(=O)C3=CC=CC=C3 1 2.7 2 2 -9.21228698340238 9550301 CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(O4)C(=O)OC)C(=O)N(C1=O)C 1 3.244 5 7 0 -12.891647016581 9550300 CCCCN(C)S(=O)(=O)C1=C(NC(=O)NC1=O)C 1 -0.348 3 4 0 -17.1061163736755 9550299 C1=CC(=CC=C1NC(=O)CCNS(=O)(=O)C2=CC=C(S2)Br)Cl 1 2.644 2 3 -9.45427846014227 9550298 C1CC2=C(C3=CC=CC=C31)ON=C2C(=O)NC4=CC(=CC=C4)O 1 3.665 2 3 -2.44658934581488 9550297 C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5 1 4.681 4 2 -0.881597794569425 9550295 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC(=CC=C3)OC 1 -0.295 4 6 0 -26.0069609251615 9550294 COC1=CC(=C(C=C1)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.875 4 6 0 -10.9122163285662 9550293 CC1=CC=C(C=C1)CN/C=C\2/C(=O)C3=C(N2)C=CC(=C3Cl)Br 1 3.93 2 1 -5.50093142293951 9550292 CC(C)C1=CC=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl 1 4.081 3 3 -4.14816679209425 9550291 CCOC1=CC(=C(C=C1)OCC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3 1 1.717 3 5 0 -16.8822993577737 9550290 CCC(CC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C 1 2.315 3 4 0 -13.7923356668198 9550289 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)C 1 2.376 2 3 -18.209085095673 9550288 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CCC4 1 3.265 2 4 -12.4370057386499 9550287 CC1=CC(=CC=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 3.146 4 3 0 -16.2907558738539 9550286 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4 1 3.279 3 3 -5.41275211970841 9550285 CCC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NC4CCCC4 1 3.213 3 4 0 -13.5414144601563 9550284 CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=O)N3C(=N2)C=C(N3)C4=CC(=CC(=C4)OC)OC 1 2.205 4 5 0 -6.11180580593861 9550283 CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=C(NN=C3C)C 1 1.704 4 3 0 -17.2035132972076 9550282 CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3 1 3.645 2 3 -16.353251285756 9550281 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCC4=CC=C(C=C4)F 1 2.679 4 3 0 -15.8638740962857 9550280 CCC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4OC 1 3.239 3 4 0 -20.5368510633259 9550279 C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=C(C=CC=C5F)F 1 3.882 5 1 -0.236611108013001 9550278 CCN(CC)CCNC(=O)CN1C(=CC2=CC=CC=C2C1=O)C 1 1.342 3 2 0 -11.4170918033211 9550277 CN(CC(=O)NCCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=C(S2)Br 1 2.233 2 5 0 -16.5619200747567 9550276 CC1=CC=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(S3)Br 1 4.265 2 3 -13.9974953897485 9550275 CC1=C(C=C(C=C1)C2=NC3=C(S2)N=CC=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5 1 3.647 3 4 0 -3.12219413797262 9550274 CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C 1 1.714 3 4 0 -17.0808946510032 9550273 CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.907 4 4 0 -6.24553405116653e-002 9550272 CC1=C(C=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl)C 1 3.859 3 3 -4.28680005185341 9550271 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)C)Cl 1 3.296 3 5 0 -19.4434441879643 9550270 CSCCC(C(=O)NCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CS2 1 1.982 2 3 0 -23.1493567316208 9550269 C1CC(N(C1)C(=O)NC2=CC=C(C=C2)Cl)C(=O)O 1 1.894 2 3 0 -4.9566407757937 9550268 CCCN(CCC)CCCNC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Br 1 2.743 3 3 -17.3880929053131 9550266 CC1(N=C(C(=N1)SCC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)Cl)C 1 3.869 3 1 -4.14019637810067 9550265 CCC1=CC=C(C=C1)NC(=O)CCC2=NC3=C(N2CC4=CC=C(C=C4)OC)N=CC=C3 1 4.37 4 2 -11.4851297211552 9550264 CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4Cl)C 1 3.831 4 3 0 -12.1621135060755 9550263 CC1=CC=C(C=C1)N2C3=NC(=C(C(=C3C(=N2)C)C)CCC(=O)N4CCC(CC4)N5CCCCC5)C 1 4.775 5 1 -6.30935726766092 9550262 CC1=CSC(=N1)NC(=O)CCSCCC2=CC=CC=N2 1 1.855 3 1 0 -10.4634602735241 9550261 CC1=CC(=C(C=C1)C(=O)CN2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C4=CC=CC=C4S2(=O)=O)C 1 3.96 1 5 0.935440803939543 9550260 C1CN(CCC12OCCO2)C(=O)C3CC(=NO3)C4=CC=C(C=C4)F 1 1.281 2 4 0 -10.7098280122492 9550259 COC1=C(C=C(C=C1)C2=NOC(C2)C(=O)NCC3=CC=CC=N3)OC 1 1.42 3 4 0 -12.2318008977078 9550258 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCCC(=O)N3CCN(CC3)C4=CC=CC=C4)C 1 1.898 5 3 0 -24.5060276562205 9550257 CC1=N/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)N1C3=C(C=C(C=C3)Cl)Cl 1 4.007 3 3 -4.53342128129752 9550256 CC1CC(CN(C1)CC(=O)N2CCCC3=C2C(=O)OC4=C3C=C(C=C4)OCC5=CC=CC=C5)C 1 4.55 2 4 -16.2700302489089 9550255 CCN1CCN(CC1)CC(COC2=CC=C(C=C2)Cl)O.Cl Cl- 1 2.412 2 2 -1.08732460471602 9550254 CC1=CC=CC=C1C(CC2=CC=CC=C2)(C3CN4CCC3CC4)O.Cl Cl- 1 4.036 1 1 2.10307176581137 9550253 CCC1=CC=C(C=C1)OP(=O)(C)O.N NH3 1 2.161 0 3 0.503027395950905 9550252 CC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC4=NON=C43 1 3.702 4 4 0 -12.81825345331 9550251 C1CCC(=NCC1)NNC2=NC(=CS2)C3=CC=CC=C3.Br Br- 1 2.707 4 0 0.690798681183647 9550250 COC1=C(C=C(C=C1)/C(=N/OC(=O)CSC2=CC=CC=C2)/N)OC 1 2.747 2 4 -4.74638860715012 9550249 CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=O)N3C(=N2)C=C(N3)C4=CC=C(C=C4)Cl 1 2.902 4 3 0 -2.63727117078195 9550248 CCCCN(CC)CCCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C)C3=CN(C4=CC=CC=C43)C 1 4.206 4 2 -10.4205859558526 9550247 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CN4C3=NC5=C(C4=O)C(=C(S5)C)C)C 1 3.731 4 2 -8.5806171465646 9550246 CC1CCCN(C1)C(=S)NC2=C(SC=C2)C(=O)OC 1 4.093 2 2 -13.779330087436 9550245 CCN(C1=CC=C(C=C1)OCC)C(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.764 3 4 0 -20.8246552773287 9550244 CC1=CC(=NN1CC2=C(C=CC(=C2)/C=C/3\CCC4=C(C3=O)C=CC(=C4)OC)OC)C 1 4.891 2 3 -7.24022792182017 9550243 CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NCC2=CN=CC=C2 1 2.96 3 2 -22.7399670693434 9550242 C1=CC=C(C(=C1)CNC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32)Cl 1 3.039 3 3 -18.3073627319899 9550241 CN(CC1=CC=CC=C1)C(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3 1 3.674 2 2 -11.1266157930298 9550240 CC1=CC=C(C=C1)NC(=O)CCN2C=CC=C2 1 2.5 2 1 -6.43613343357198 9550239 CC1CCCC(C1C)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 3.16 4 3 0 -13.4973967847936 9550238 CCCCN(C)CCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=O)C(=O)N2C)C 1 0.841 4 4 0 -8.59513096176821 9550237 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4 1 2.164 4 3 0 -10.9944229012313 9550236 CN(CC(=O)NCC1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 1.982 3 3 0 -15.4156898793985 9550235 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=C(C=C4)F 1 3.712 3 3 -11.2078280111856 9550234 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC4=CC(=CC(=C4OC3=O)Br)Br 1 4.878 1 3 -12.3310245122028 9550233 CC1=NOC(=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 0.735 4 3 0 -16.6675044522567 9550232 CC1CCN(CC1)C2=CC=C(C=C2)N3C(=NC4=C(C3=O)C=NN4C5=CC=C(C=C5)Cl)C 1 4.958 5 1 -3.55742734229515 9550231 CN(CC(=O)NC1=C(C=C(C=C1)OC)OC)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 0.996 3 6 0 -22.9279646104429 9550230 CCCCCC1=CC=C(C=C1)CC(=O)NN2C(=NC3=CC=CC=C3C2=O)C 1 4.214 3 2 -11.2824758906532 9550229 CCOC(=O)C(=C(C)C)NC(=O)C1=CC=CC=C1 1 2.405 1 3 -7.43531479361534 9550228 CC\1(CC2=C(C=NN2C3=CC=CC=C3)C(=O)/C1=N\NC(=O)C4=CC=C(C=C4)OC)C 1 3.824 4 3 0 -5.33989626900991 9550227 CCN1C(=C2C(=[N+]1CC)CC(CC2=O)(C)C)C.[I-] I- 1 2.411 2 1 -6.86349385939278 9550226 CC1=CC=CC=C1CC2=C(N3C(=NC(=N3)SCC(=O)N4CCC5(CC4)OCCO5)N=C2C)C 1 3.659 5 3 0 -19.5695218262778 9550225 CC1=CC(=C(C=C1)CS/C(=C(\C#N)/C(=O)NCC2=CC=CO2)/NC3=CC=CC=C3C)C 1 5.716 3 2 -28.8184817498115 9550223 CC1=C(C(=CC=C1)C)N2C(C3=CC=CC=[N+]3CC2=O)C(=O)NC4=CC=CC=C4C.[I-] I- 1 4.552 3 2 -8.0237130386141 9550222 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)N3CCC4(CC3)OCCO4 1 1.046 2 5 0 -11.02183336677 9550221 C1CC(CCC1CNS(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCC4=CC=CS4 1 3.144 4 3 0 -20.2910861823943 9550220 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4CCCC5=CC=CC=C45)OC1=O 1 3.077 3 5 0 -15.2033050885336 9550219 COC1=CC(=CC(=C1)C2=NN(C(=C2)N)S(=O)(=O)CC3=CC=CC=C3)OC 1 2.93 3 4 0 -4.90860693076061 9550218 CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3C(=CC(=N3)C4=CC=C(C=C4)C)N)C 1 4.727 3 5 0 0.967495621877831 9550217 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCCC(=O)NCCC3=CC=CC=C3)OCC 1 3.425 3 5 0 -20.3817334600995 9550216 CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.472 3 6 0 -34.2825583029843 9550215 CCN(CC)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC 1 3.048 4 4 0 -20.620823401089 9550214 CC[N+]1(CC2CC3=C(C=C2C1)C4=CC=CC=C4C=C3)CC.[Br-] Br- 1 2.635 1 0 1.55396530102707 9550213 CC1=C(C(=CC=C1)C)NC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.341 3 3 -14.3070469741916 9550212 CCOC(=O)CC1=C(N=C2C(=C(NN2C1=O)C3=CC=CC=C3)C4=CC=CC=C4)C 1 2.741 3 3 -12.0412549831682 9550211 CC(C)C[C@@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)C3=CC=CC=C3 1 3.296 3 6 0 -23.5136504606614 9550210 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](CCSC)C(=O)NC3CCS(=O)(=O)C3 1 0.492 3 6 0 -35.8513904196093 9550209 CCC(C)[C@@H](C(=O)OC)NC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N 1 1.148 3 5 0 -25.3322653987539 9550208 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)OC 1 2.966 3 4 0 -17.292639734706 9550207 COC1=CC=CC=C1N2CCN(CC2)CCCCOC3=CC=CC4=CC=CC=C43.Cl Cl- 1 5.116 2 2 4.92675535642967 9550206 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CN3C(=O)C4=C(C=CS4)NC3=O 1 2.591 4 3 0 -8.42653751198427 9550205 CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)OC 1 3.562 2 4 -30.0847300486678 9550204 CC(C)C(C(=O)NCC1=CN=CC=C1)NC(=O)C2CCC(CC2)C(C)(C)C 1 3.486 3 2 -23.9566295775445 9550203 C1=CC(=CC(=C1)Br)/C(=N/OC(=O)C2=CC=CO2)/N 1 2.53 2 3 2.8711594073139 9550202 CC(C(=O)NCC(=O)OC)NC(=O)CNC(=O)OCC1=CC=CC=C1 1 -8.9e-002 3 6 0 -19.6884338574538 9550201 COC1=CC=C(C=C1)/C=C/C(=O)NCC(=O)NN=CC2=C(C=CC(=C2)Br)OC 1 2.926 3 4 0 -8.98653509139075 9550200 C1CC(OC1)CNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 3.308 1 5 -14.9796420984918 9550199 C1CCC2(C1)NC(=O)C(=N2)C3=CC=C(C=C3)F 1 2.242 2 1 4.73540371514985 9550198 CC1=CC=CC=C1CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NCC4=CC5=C(C=C4)OCO5 1 3.705 3 5 0 -16.2271685198705 9550197 COC1=CC=CC(=C1)C2=NOC(C2)C(=O)NC3=CC=CC=C3SC 1 2.907 2 3 -6.45510753424647 9550196 CCCCN(C)C(=O)C1=CC2=C(S1)N=C3C=C(C=CC3=C2)OC 1 4.094 2 2 -1.57218053215247 9550195 CC1=CC(=C(C=C1)OC)NC(=O)C(=O)C=C(C2=C(C=CC(=C2)OC)OC)O 1 2.858 1 6 0 -6.14416224065996 9550194 CC1(COC(=N1)C2=CC=CN2CC3=C(C=C(C=C3)F)Cl)C 1 4.391 2 1 -0.612712553649085 9550193 CCOC1=CC=CC=C1NC(=O)C(=O)C=C(C2=C(C=CC(=C2)OC)OC)O 1 2.72 1 6 0 -8.45108922242245 9550192 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4=C(C=CC(=C4)OC)OC 1 4.244 3 3 -2.03764504695955 9550191 CCOC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NN=N4 1 2.02 6 1 0 -5.23458759874784 9550190 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=C(C=CS4)NC3=O 1 2.172 4 4 0 -9.99256161887496 9550189 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NC3=CC=C(C=C3)C(=O)OCC 1 2.335 2 5 0 -8.77065114802381 9550188 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCC3=NC4=CC=CC=C4N3 1 3.728 4 1 -10.1700574615888 9550187 CC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4 1 2.695 3 2 -12.7561192115373 9550186 CCOC1=CC=C(C=C1)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCOCC4 1 1.774 3 5 0 -7.71426576577127 9550185 CC1=CC=C(C=C1)CN2CCN(C2=O)CC(=O)NC(C)CCC3=CC=CC=C3 1 3.467 3 2 -14.1907074692902 9550184 CC1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6 1 3.889 4 3 0 -2.22514812994345 9550183 CCOC1=CC=CC=C1CNC(=O)CN2C3=CC=CC=C3OC2=O 1 2.521 2 4 -12.4142068238444 9550182 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCCOC 1 -0.696 3 5 0 -6.76034531924988 9550181 CC1=NOC(=C1Cl)C(=O)NC2=CC=CC(=C2)C(=O)C 1 2.047 2 3 -4.96313207115467 9550180 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)NC3=CC(=CC=C3)OC 1 2.335 2 4 -7.62926663646438 9550179 CCCCNC1=NC(=S)NC2=CC(=C(C=C21)OC)OC 1 3.492 3 2 -7.58745900793853 9550178 CCN(CC)CCNC1=NC2=CC(=C(C=C2C3=NC(=NN31)C4=CC=CC=C4)OC)OC 1 3.615 6 2 0 -5.5098494991114 9550177 CN1C(=O)CSC2=C1C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC 1 2.06 3 3 -7.93466979254445 9550176 CC1CCCC(C1C)NC(=O)C2CC(=O)OC2C3=CC(=C(C=C3)OC)OC 1 3.183 1 5 -11.3005697296433 9550175 CCOC(=O)N1CCC(CC1)N(CCOC)C(=O)NC2=CC(=C(C=C2)C)C 1 2.356 3 4 0 -6.24192372561171 9550174 CCSC1=NC=C(C(=N1)N)C#N 1 1.134 4 0 0 -3.6376350099831 9550173 C1CCC2=[N+](CC1)C(=CN2)C3=CC=CC=C3.[Cl-] Cl- 1 3.529 2 0 1.60839036347248 9550171 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC5=NON=C54 1 2.866 5 5 0 -10.2279394218392 9550170 CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CS3 1 4.104 2 3 -18.5261619682295 9550169 CCN1CCN(CC1)CCCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4NC3=O 1 2.263 4 2 -13.6513274655469 9550168 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NON=C32)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl 1 2.831 5 4 0 -6.45006803378608 9550167 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)NCC4=CC=C(C=C4)F 1 1.972 3 5 0 -21.3969646695094 9550166 CSC1=CC=CC=C1NC(=O)C2=NOC(=C2)C3CC3 1 2.942 2 2 -17.7658267159924 9550165 CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4N3)C 1 3.837 4 1 -1.84803269425284 9550164 CC1=CC(=CC=C1)CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)CC(=O)NCC5=CC=CO5)SC=C3 1 4.584 3 4 0 -16.9409444125158 9550163 CC1=C(SC2=C1C(=O)N3C=CC=C(C3=N2)C(=O)N4CCN(CC4)C5=CC=CC=C5)C 1 2.759 4 2 -11.2970956075894 9550162 COCCCNC(=O)CN1CCN(C1=O)CC2=CC=CC=C2Cl 1 0.839 3 3 0 -18.1766458201339 9550161 CC1=C(C(=NC2=CC(=NN12)C3=CC=CC=C3)C)CCC(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.538 6 1 0 -7.58851095277581 9550160 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NCC3=CC=CC=C3OC 1 3.536 1 4 -10.7475524922128 9550159 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C 1 2.572 4 4 0 -1.69232133750772 9550158 CCN(CC1=CC=CC=C1)C(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCOCC4 1 2.004 3 4 0 -14.7068711629739 9550157 CC(CCC1=CC=CC=C1)NC(=O)CN2CCN(C2=O)CC3=CC=C(C=C3)Cl 1 3.646 3 2 -12.3687087787034 9550156 CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4 1 3.211 3 3 -15.8352248689513 9550155 CCCN1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4S(=O)(=O)C3 1 3.116 2 3 -4.33592651783842 9550154 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CN3C4=C(C=CN=C4)N=C3SCC5=CC=CC=C5F 1 5.023 4 2 2.76390575583022 9550153 CC1=CC=CC(=C1)C2=C3C(=C4N2C5=CC=CC=C5N=C4)N(C(=O)N(C3=O)C)C 1 3.719 4 2 -3.00726052494468 9550152 C1OC2=C(O1)C=C(C=C2)NC3=C(N=C4N3C=CN=C4)C5=CC=C(C=C5)Cl 1 3.888 4 2 2.88120812723782 9550151 CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)C3=NOC4=C3CCC5=CC=CC=C54 1 4.774 4 2 -7.01427973957734 9550150 CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCOC(C)C)SC3=CC=CC=C31 1 4.684 2 2 -14.7675519713639 9550149 COC1=C(C=C2C(=C1)C(C3C4=CC=CC=C4CCN3C2=O)C(=O)NCC5=CC=CO5)OC 1 2.636 2 5 0 -15.1825712244593 9550148 CC12CC(C3=C(O1)C(=CC=C3)OC)N(C(=S)N2C4=CC=C(C=C4)F)C(=O)C5=CC=CO5 1 5.537 2 4 -4.41212478554386 9550147 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCC4=CC=CC=C4C3 1 1.929 2 4 0 -25.3697626492064 9550146 CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)NCC4=CC=CS4 1 3.576 3 2 6.53410868789273 9550145 CC1=CC=C(O1)CNC(=O)CSC2=C3CCCCC3=NC4=C2C=C(C=C4)Cl 1 4.713 2 2 -6.4958120458952 9550144 CN1C2=C(C=C(S2)C(=O)NC3=CC(=C(C=C3)OC)OC)C(=N1)C4=CC(=C(C=C4)OC)OC 1 4.177 3 5 0 -7.50035599039471 9550143 CCN(CC1=CC=CC=C1)C(=O)C2=CC3=C(S2)C4=C(C=CC(=C4)C)OC3=O 1 5.027 1 3 -9.69218756386276 9550142 CCC1CCCCN1CCNC2=C(C(=O)C2=O)N3CCCC(C3)C(=O)OCC 1 1.994 3 4 0 -8.29181803711739 9550141 C1CCC(CC1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCOCC4 1 1.563 3 4 0 -9.34061461725344 9550140 C1CN(CCN1C2=NN3C=NN=C3C=C2)C4=CC=CC=N4 1 1.257 7 0 0 -0.656390771921589 9550139 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)N4C=CC=C4 1 5.037 3 1 -3.012830101206 9550138 C[N+](C)(CC=C)C/C(=C(/C1=CC=CC=C1)\Cl)/Cl.[Br-] Br- 1 2.37 1 0 -4.87285715865097 9550137 CCCCOC1=C(C=C(C=C1)CSC(=N)N)[N+](=O)[O-].Cl Cl- 1 3.214 3 3 -5.59717545130992 9550136 C1CC2=NC(=CN2C1)C3=CC=C(C=C3)C4=CC=CC=C4.Br Br- 1 3.904 2 0 2.61966978054372 9550135 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)NCC3=CC=CS3)C 1 1.873 3 4 0 -23.5966776263298 9550134 CC1=CC=C(C=C1)CNC(=O)CN(C)S(=O)(=O)C2=CN=CN2 1 8.8e-002 4 3 0 -9.7995339275532 9550133 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NC4=CC5=C(C=C4)OCCO5 1 2.252 4 5 0 -13.7254114205531 9550132 COC1=CC=CC(=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.899 4 5 0 -16.9865356514446 9550131 CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCCC3 1 1.502 3 4 0 -15.1564751689618 9550130 CCC(C)N(C)CC1=CC=CC(=C1)C2(CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C)O 1 3.834 2 3 -10.9245912743965 9550129 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCC5=CC=CC=C5C4 1 2.982 3 4 0 -23.3056849427285 9550128 CC1=CC(=CC(=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl)C 1 3.859 3 3 -4.57324791455658 9550127 C1=CC=C(C(=C1)CSCC(C(=O)O)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])F 1 3.182 2 6 0 -17.2798697799803 9550126 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C(=CC=C3)Cl)C 1 3.296 3 5 0 -18.3892133277404 9550125 CCC1CCCCN1C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N(C)C4=CC=C(C=C4)Cl 1 3.763 3 4 0 -17.635657064095 9550124 C1CN(C(=O)N1CC2=C(C=C(C=C2)F)Cl)CC(=O)NCCC3=CC=CC=C3 1 3.018 3 2 -12.9653598687914 9550123 COC1=C(C=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3)SCC(=O)NCC4=CC=CO4)OC 1 4.325 3 4 0 -15.8807740676057 9550122 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=CC=C3)C)CCC(=O)NC(C)CCC4=CC=CO4 1 3.88 4 2 -20.2316188606896 9550121 CCOC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)NCCC3=CC=C(C=C3)Cl)N 1 3.512 5 2 0 -16.3033347947808 9550120 CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4C)C5=CC=CO5 1 4.994 4 2 -6.13530688599841 9550119 C1CC[N+]2(C1)CC3CC4=C(C=C3C2)C5=CC=CC=C5C=C4.[Br-] Br- 1 2.398 1 0 0.839256972235735 9550118 CCCCCCCC1CC(OC1=O)CSC(=N)N.Br Br- 1 3.747 2 2 -4.71385395460891 9550117 C1=CSC(=C1)C/C(=N/OC(=O)COC2=C(C=C(C=C2)Br)Cl)/N 1 3.623 2 3 1.35019161965089 9550116 C[N+](C)(C)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.[I-] I- 1 1.924 1 2 0 -7.58317227816654 9550115 CCOC(=O)CC1=C(N=C2C(=CNN2C1=O)C#N)C 1 -0.647 4 3 0 -15.6054640199198 9550114 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)O/N=C(/C2=CC(=CC=C2)[N+](=O)[O-])\N 1 1.736 4 6 0 -6.53728602781957 9550113 CCCC1=NN2C(=N)/C(=C\C3=CC=C(O3)SCC4=CC=CO4)/C(=O)N=C2S1 1 4.38 4 3 0 -15.5712521772196 9550111 C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCC3=CC=CC=C3 1 2.132 2 3 -17.6497314102464 9550110 CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C(=O)N4 1 1.661 4 4 0 -24.4640985909022 9550109 CC1=CC=C(C=C1)N=C2/C(=C\3/C=CC(=O)C(=C3)OC)/NC4=CNC=CN42 1 0.554 4 2 0 -2.12526621218017 9550108 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC(=C(C=C4)OC)OC)OC1=O 1 2.022 3 7 0 -15.9782334050819 9550107 CCCCNC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C 1 2.316 4 5 0 -28.7747489670675 9550106 CC1CCC(CC1)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC4=NSN=C43 1 3.931 4 3 0 -17.7234922672144 9550105 CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3C(=CC(=N3)C4=CC=CC=C4)N)C 1 4.241 3 5 0 0.681275799896435 9550104 C1CN(C2=CC=CC=C21)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5 1 3.884 3 3 -21.1835729364573 9550103 C1CCN(C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 3.274 3 1 -7.14280939878824 9550101 CC1=CC=CN2C1=NC(=C2C(=O)C3=CC=CC=C3)C.Cl Cl- 1 3.171 2 1 -6.99319535853957 9550100 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CC=C(C=C3)F)CC4=CN=CC=C4 1 2.437 4 2 -17.2759467723268 9550099 C1=CC2=CC(=NN2C=C1)C(=O)NCC3=CC=C(C=C3)Cl 1 2.942 3 1 -6.73870249435346 9550098 CN(C)CCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3OC2 1 2.677 2 2 -3.44571033940383 9550097 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)C 1 3.92 4 3 0 -15.6061033960839 9550096 CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 2.607 4 5 0 -21.2912444789127 9550095 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3C5=CC=CC=N5 1 4.11 4 3 0 -20.0401202486033 9550094 CC(C)CCNC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C 1 2.246 4 5 0 -30.57073687453 9550093 CC1=CSC(=N1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C 1 1.199 4 5 0 -12.5390803531711 9550092 CCCS(=O)(=O)N1C(=CC(=N1)C2=CC=C(C=C2)C)N 1 2.738 3 2 -3.467533037877 9550091 C1CN(CC2=CC=CC=C21)CCCNC(=O)NC3=CC=C(C=C3)Br 1 3.554 3 1 -9.17899329166976 9550090 COCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4C#N 1 3.162 4 4 0 -14.7053733105217 9550089 COCCNC(=O)CN1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=CO3 1 0.67 3 5 0 -16.6034197464228 9550088 CCC(C)NC(=O)C1C2=CC=CC=C2C(=O)N1CC3=C(C=C(C=C3)OC)OC 1 2.993 2 4 -14.052698788054 9550087 CC1=CC=C(C=C1)C2=NC(N=C2SCC(=O)NC3=CC=C(C=C3)Cl)(C)C 1 4.355 3 1 -3.98354223972732 9550086 CC1(N=C(C(=N1)SCC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C 1 3.869 3 1 -4.45805865604252 9550085 CC1=CC(=C(C=C1)C)CN2C3=C(C(=O)N(C2=O)CCCC(=O)NCC4=CC=CO4)SC=C3 1 3.88 3 4 0 -18.9832072193407 9550084 CC1CC(CN(C1)C(=O)CN2CCN(C2=O)CC3=CC=C(C=C3)Cl)C 1 2.669 3 2 -12.9668132305701 9550083 CC1=NC(=C(N1CC(=O)C2=CC=C(C=C2)Br)Br)[N+](=O)[O-] 1 3.189 3 3 -4.07039806756243 9550082 CC1=CC(=NN1CCC2=NN3C(=N2)C4=CC(=C(C=C4N=C3SCC5=CC=C(C=C5)C#N)OC)OC)C 1 4.624 7 2 0 -17.397161622619 9550081 CCCN(C1=CC=CC(=C1)C)C(=O)CN2C3=C(C=N2)C(=O)OC4=CC=CC=C43 1 4.092 3 3 -13.0219700195114 9550080 CN(C)CCOC(=O)C12CC3CC(C1)CC(C3)C2.Cl Cl- 1 2.715 1 2 -0.47586587303837 9550079 CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)C)C2=C(C=CS2)C)C#N 1 2.764 2 3 -31.6511812171328 9550078 C1=CC=C(C=C1)C(=O)N/C(=N/C2=NC3=CC=CC=C3O2)/N 1 2.516 4 2 -2.38372978767125 9550076 CN1CCN(CC1)CC(COC2=CC=C(C=C2)Cl)O.Cl Cl- 1 2.063 2 2 1.17407861254149 9550075 CC1C2=NC3=CC=CC=C3N2C(C(=O)N1CC4=CC=CC=C4)CC(=O)NCCC(C)C 1 3.855 4 2 -19.6500238248036 9550074 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)N=C1CN4CCCC4.Cl Cl- 1 3.017 4 1 -1.42316595028198 9550072 C[N+]1(CCCC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Br-] Br- 1 2.529 1 1 -3.94636881839008 9550071 CC1CCN(CC1)C2=CC=C(C=C2)N3C(=NC4=C(C3=O)C=NN4C5=CC=CC=C5Cl)C 1 4.958 5 1 -7.91477502775138 9550070 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NC3=CC=CC(=N3)C 1 1.802 3 3 0 -4.3229476350751 9550069 CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CCC2=C(N3C(=NC(=N3)C)N=C2C)C 1 2.556 5 3 0 -23.2333579320092 9550068 CC1=CC=C(O1)CNC(=O)CSC2=C3CCCCC3=NC4=C2C=CC(=C4)Cl 1 4.713 2 2 -5.87419537972885 9550067 CC1=NC(=CC=C1)NC(=O)CCC2=C(N3C(=NC=N3)N=C2C)C 1 1.752 6 1 0 -18.4534485038968 9550066 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC 1 2.64 2 5 0 -12.4381000932845 9550065 CC1=CC2=C(C=C1)OC3=NN(C(=O)C3=C2)C4=CC(=C(C=C4)C)C 1 4.365 2 2 -1.20379762132137 9550064 CCOC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2C)C4=CC=CC=C4O3 1 4.339 2 3 -4.44483035855879 9550063 CC(C)CCNC(=O)NC1=CC2=C(C=C1)SCC(=O)N2C 1 2.08 3 2 -15.6899142276619 9550062 CC(C)(C)C(=O)CN1C2=CC=CC=C2N(C1=N)CC3=CC=CC=C3Cl.Br Br- 1 4.535 3 1 -2.60829697388543 9550061 C1CCC2=C(C1)C(=O)N=C(N2)/N=C(\N)/NC3=CC=CC=C3SC4=CC=CC=C4 1 3.7 5 1 -13.2244910581635 9550060 CC\1(CC2=C(C=NN2C3=CC=CC=C3)C(=O)/C1=N\NC(=O)C4=CC=CC=C4)C 1 3.841 4 2 -6.01560908942337 9550059 CC1CCC2=C(C1)C(=NC(=N2)SC)C(F)(F)F 1 4.256 2 0 -2.01406642973998 9550058 C1=CC(=C(C=C1Cl)S(=O)(=O)O/N=C(/C2=CC=NC=C2)\N)Cl 1 2.422 3 3 0.697883834252426 9550057 C[N+]1(CCOCC1)CCCOC(=O)C2(CCCC2)C3=CC=CC=C3.[I-] I- 1 1.674 1 3 0 -9.18420349061911 9550056 CN(C)C1=CC=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4 1 2.462 5 4 0 -10.6291355966488 9550055 CC1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2)NC)OC.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 3.143 1 2 -6.61402077344413 9550054 CCC(C)[C@@H](C(=O)O)NC(=O)NC1=CC=C(C=C1)S(=O)(=O)N 1 0.916 3 5 0 -20.6147926515985 9550053 C1CC(=NC1)NC23CC4CC(C2)CC(C4)C3.Br Br- 1 2.032 2 0 -5.24108907489674 9550052 CC1=C(C=C(C=C1)C(=O)O/N=C(/C2=CC=C(C=C2)Br)\N)C 1 4.107 2 2 3.15215871240956 9550051 C[N+]1(CCCCC1)CCC(=O)C2=CC=CC=C2.[I-] I- 1 1.386 1 1 0 -5.61040192867675 9550050 CCOC1=CC=C(C=C1)C2=CN=C3N2CCC3.Cl Cl- 1 2.581 2 1 2.45839749731989 9550049 CCC(C)[C@@H](C(=O)O)NC(=O)CCN1C(=O)C2=CC=CC=C2N=N1 1 2.405 4 4 0 -37.4395074438151 9550048 CCC(C)[C@@H](C(=O)O)NC(=O)NC(C)C 1 1.36 2 3 0 -18.7672661365921 9550047 CC(C)(C)SC1=CN2C3=C(CCCC3)N=C2C=C1.Cl Cl- 1 3.571 2 0 -1.14401716016639e-002 9550046 C1CN(CC(C2=CC=CC=C21)C3=CC=CC=C3)CCC(=O)C4=CC5=C(C=C4)OCCO5.Cl Cl- 1 4.94 1 3 -4.79897254104356 9550045 C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCCl.Cl Cl- 1 5.64 3 0 7.53355170486208 9550044 CCOC1=C(C=C(C=C1)Cl)CN2CCOCC2.Cl Cl- 1 2.588 1 2 0.775686103611022 9550043 C[N+]1=CN(C=C1)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] Cl- 1 4.404 3 1 0.460581254585196 9550042 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NC5=CC=CC=C5N4.O H2O 1 5.403 3 0 5.5550941374502 9550041 CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O 1 3.805 2 5 0 -17.541972001977 9550040 CCO.CN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=COC=C3 CCO 1 6.3e-002 5 1 0 1.29882187849261 9550039 C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=O)N(N=N4)CC5=CC=CC=C5)N6CCOCC6.O H2O 1 5.519 5 2 0 -16.2549256899458 9550038 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C)C(=O)NC3CCS(=O)(=O)C3 1 0.165 3 6 0 -29.5010876101179 9550037 CCCCOC1=CC=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C 1 3.864 3 5 0 -21.4853081796957 9550036 CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NCCCN34)C)C.Cl Cl- 1 1.443 3 2 0 -17.8450966035315 9550035 CN(C)CCNCC1=CC=CC=C1OC2CCCC2.Cl Cl- 1 2.892 2 1 1.89381714423316 9550034 CCOC(=O)/C(=C/C(=C(\N)/N1CCN(CC1)C2=CC=CC=C2)/C(=O)OCC)/C#N 1 2.405 4 4 0 -4.03875340140813 9550033 CC(=O)[N+]1=C2N(CC1)C(=CS2)C3=C(C=C(C=C3)Cl)Cl.[Br-] Br- 1 3.045 2 1 -1.19126572670484 9550032 CC(=O)[N+]1=C2N(CC1)C(=CS2)C3=CC=C(C=C3)Cl.[Br-] Br- 1 2.38 2 1 -0.801761606615741 9550031 CON/C=N/C(=O)N1[C@@H]2[C@@H](COC3=C2C4=CC=CC=C4C=C3)CO1 1 1.431 3 4 0 0.687722000730791 9550030 C1=CC(=C(C=C1NC(=O)O/N=C(/C2=C(C=C(C=N2)C(F)(F)F)Cl)\N)Cl)Cl 1 4.508 4 2 5.77881177820009 9550029 CC(C)(C)C1=CC=[N+](C=C1)C\2=NC(=O)S/C2=C\[O-] 1 2.458 2 2 -1.0861259544646 9550028 C1CCC(CC1)N(CC2=CC=CC=C2F)C(=S)NCC(=O)NC3CC3 1 4.39 3 1 -13.0427496425908 9550027 CN1C2=C(C(=O)/C(=C(\NC3=CC(=C(C=C3)F)Cl)/S)/S1(=O)=O)SC=C2 1 3.475 2 3 -0.938364668596697 9550026 COC1=CC2=C(C=C1)NC=C2/C=C(/C#N)\S(=O)(=O)C3=CC=CC=C3 1 3.26 2 3 -3.46078628175619 9550025 CCN(CC)CCN1C2=CC=CC=C2N=C1NCC3=CC=CC=N3.Cl Cl- 1 2.913 5 0 -5.15031338295687 9550024 C/[N+](=C\C1=COC2=CC=CC=C2C1=O)/[O-] 1 0.331 1 3 0 -5.70843358629346e-002 9550023 CCCOC1=CC=C(C=C1)C(=O)C(CN2CCCC2)C3=CC=CC=C3.Cl Cl- 1 4.635 1 2 -4.01166794289694 9550021 CC(C(C)(C)NO)[NH2+][O-].[Cl-] Cl- 1 -0.601 2 2 0 6.33013484284413e-002 9550020 CCN1CCCC1CNCC2=CC(=C(C(=C2)OC)OC)OC.Cl Cl- 1 2.295 2 3 -8.23302315969168 9550019 CCOC1=CC=C(C=C1)C(=O)C(CN2CCOCC2)C3=CC=CC=C3.Cl Cl- 1 3.338 1 3 -7.21973145199033 9550017 CC[N+](C)(CC)CCCC(=NO)C(=O)OCC.[I-] I- 1 0.231 2 3 0 -3.51009791258609 9550016 C[N+]1(CCOCC1)CC(COCC2=CC=CC=C2)OC(=O)CC3=CC=CC=C3.[I-] I- 1 1.673 1 4 0 -10.9983537410308 9550015 C1COCCN1C2=NC(=NC3=CC=CC=C32)NC4=CC=CC5=CC=CC=C54.Cl Cl- 1 3.499 4 1 1.16082123671279 9550014 CCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=NC=CC=N3)C4=CC=CC=C4)/O 1 3.027 3 4 0 -5.16522708699493 9550013 CC1=C(C(=NC(=N1)C)NN=CC2=CC=C(C=C2)[N+](=O)[O-])CC=C.Cl Cl- 1 2.712 5 2 0 -7.41307366047893 9550012 CCOC1=C(C=C(C=C1)Br)C(=NNC2=NCCN2)C.Cl Cl- 1 2.155 4 1 -6.68512822493846 9550011 CC(=NNC1=NCCN1)C2=C(C=CC(=C2)Br)OC.Cl Cl- 1 1.806 4 1 0 -6.30443001326091 9550010 CCCCCCC1CC(OC1=O)CSC(=N)N.Br Br- 1 3.291 2 2 -4.71385395460891 9550009 C1CN(CCN1CCCCOC2=CC=CC3=CC=CC=C32)C(=O)C4=CC=CO4.Cl Cl- 1 3.779 2 3 -0.445216249569038 9550008 CCCC1CC(OC1=O)CSC(=N)N.Br Br- 1 1.922 2 2 0 -4.12151727142237 9550007 CC12CC3=C(C=C1C[N+](C2)(C)C)C4=CC=CC=C4C=C3.[Cl-] Cl- 1 2.211 1 0 -2.59738960569426 9550006 CCCCOC1=CC(=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=NC=C4)/O)C 1 3.457 3 4 0 -5.23651869519613 9550005 CCCC[N+]1=CN(C=C1)C\2=C(C3=CC=CC=C3C(=O)/C2=N\S(=O)(=O)C4=CC=C(C=C4)Br)[O-] 1 4.713 3 4 0 3.96356749846472 9550004 CCOC(=O)C1=CN=C2C=CC(=CC2=C1OCC3=CC(=CC(=C3)F)F)C 1 4.684 1 3 0.286604226806857 9550003 CC1=CC(=NC(=N1)NN=C/C=C/C2=CC=CC=C2)C 1 2.479 4 0 1.52363667008014 9550002 CC1=CC=CC(=C1)C(=O)N2C(C[C@]3(C2NC(=O)C3)C)C4=CC=CC=C4OC(=O)C5=CC(=CC=C5)C 1 5.089 2 4 -12.5342613936987 9550000 C[C@]12CC(N(C1NC(=O)C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4OC(=O)C5=CC=CC=C5 1 4.117 2 4 -13.0246236320804 9549999 COC1=CC=C(C=C1)OC/C(=N/NC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)/N 1 2.693 4 4 0 -4.70089048224786 9549998 C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)N/N=C(/COC3=CC=CC(=C3)C(F)(F)F)\N 1 3.652 4 3 0 -1.44400522520677 9549997 C1=CC=C(C=C1)OC/C(=N/NC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)/N 1 2.71 4 3 0 -5.09465120060304 9549996 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC2=CC3=C(C=C2)N(C(=N3)CN4CCCC4)C 1 4.579 4 2 -0.441002406376593 9549995 COC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3CCCO3)C4=CC(=C(C=C4)OC)OC)/O 1 2.685 1 7 0 -14.9124911373148 9549994 CCOC1=C(C=CC=C1OC)CNCCN2CCOCC2.Cl Cl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l)C)NC(=O)C3=NOC4=C3CCC5=CC=CC=C54 1 5.233 4 2 -5.90415807445578 9549987 CC(C)CC1=CC(=NO1)C(=O)NC2=C(C3=C(S2)CCC3)C#N 1 3.61 3 2 -19.1034598102046 9549986 CC(C)CC1=CC(=NO1)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.313 2 4 -12.3812506757577 9549985 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCN3C(=O)C4=C(C=CS4)NC3=O 1 2.16 3 5 0 -19.6041449010218 9549984 CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NC2=CC3=C(C=C2)OCCO3 1 3.89 2 4 -23.3446290186059 9549983 C1=CC(=CC=C1NC(=O)O/N=C(/C2=C(C=C(C=N2)C(F)(F)F)Cl)\N)Cl 1 3.844 4 2 6.26748767748021 9549982 C1=CC=C(C=C1)NC(=O)O/N=C(/C2=C(C=C(C=N2)C(F)(F)F)Cl)\N 1 3.179 4 2 5.10496385003852 9549981 CC(C)NC1=NC(=NC(=N1)C(=O)OCCO)NC(C)C 1 0.53 5 3 0 -10.0279392374931 9549980 CC1=CC=C(C=C1)C2=C3C(=C4N2C5=CC=CC=C5N=C4)N(C(=O)N(C3=O)C)C 1 3.719 4 2 -5.44229931335398 9549978 C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CCC(=O)O 1 1.6e-002 6 8 0 -17.7774702203692 9549977 C1CCNC2=C(C=C(C=C2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C1)C(=O)NC(CC(=O)O)C(=O)N)CCC(=O)N)[N+](=O)[O-])I 1 -1.369 8 10 0 -23.2105401432889 9549976 C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CC(=O)N 1 -1.969 7 7 0 -14.2809412543843 9549975 C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCOC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)NC(CC(=O)O)C(=O)N)CCC(=O)O 1 -1.921 6 12 0 -20.6620586230767 9549974 C1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C3=CC(=CC(=C3NC1)I)[N+](=O)[O-])CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)N 1 -1.825 8 10 0 -23.4638412335048 9549973 C[C@@H]1CCC[C@]2(O1)[C@@H]([C@H](C[C@@H](O2)CCO)O)O 1 -0.456 0 5 0 0.681526867368864 9549972 CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CO 1 -0.768 6 7 0 -9.23568239352958 9549971 C[C@H]1C(=O)N[C@@H](CCOC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)CC(=O)N)[N+](=O)[O-])I)C(=O)NC(CC(=O)O)C(=O)N 1 -2.87 7 11 0 -20.6700926199268 9549970 C[C@H]1C(=O)N[C@@H](CCOC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)[N+](=O)[O-])I)C(=O)NC(CC(=O)O)C(=O)N 1 -2.292 9 10 0 -19.7067853827744 9549969 C1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2NC1)I)[N+](=O)[O-])CCCN=C(N)N)CCCN=C(N)N)C(=O)N 1 -1.482 12 6 0 -14.4880058651802 9549968 C1COC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)NC(CC(=O)O)C(=O)N)CCC(=O)N)CC3=CC=C(C=C3)O)[N+](=O)[O-])I 1 -1.235 7 12 0 -15.6900383969839 9549967 C1COC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N)CC3=CC=C(C=C3)O)CO)[N+](=O)[O-])I 1 -0.122 5 9 0 -2.93816450463082 9549966 C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCOC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)NC(CC(=O)O)C(=O)N)CC(=O)N 1 -2.87 7 11 0 -20.5045450861632 9549965 CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCOC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CO 1 -0.593 5 8 0 -6.27099227989488 9549964 CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CCCN=C(N)N 1 -9.3e-002 9 6 0 -15.4180978045882 9549963 C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CC(=O)N 1 -0.933 7 7 0 -16.0586029425847 9549962 C1CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C1)C(=O)N)CO)CCC(=O)O)[N+](=O)[O-])I 1 -0.873 6 9 0 -16.3841737185911 9549961 CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)NC(CC(=O)O)C(=O)N)CO 1 -1.263 7 10 0 -20.4890457661701 9549960 C1CCO[C@@]2(C1)[C@H]([C@@H](C[C@H](O2)CCO)O)O 1 -0.833 0 5 0 -5.02480569818569e-002 9549959 C[C@H]1CCC[C@@]2(O1)[C@@H]([C@H](C[C@H](O2)CCO)O)O 1 -0.456 0 5 0 0.681526867368864 9549958 C[C@H]1C(=O)N[C@@H](CCCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)[N+](=O)[O-])I)C(=O)N 1 -0.812 9 6 0 -15.5141443294117 9549957 C1C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CCOC3=C(C=C(C=C3C(=O)N2C1)[N+](=O)[O-])I)C(=O)NC(CC(=O)O)C(=O)N)CCC(=O)N 1 -2.23 7 11 0 -18.4934400770134 9549956 C1COC2=C(C=C(C=C2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H]1C(=O)N)CO)[N+](=O)[O-])I 1 -1.92 5 8 0 -11.3109395420794 9549955 C1CNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N)CO)CCC(=O)O)[N+](=O)[O-])I 1 -1.909 6 9 0 -14.6065120303908 9549954 C[C@H]1CCC[C@]2(O1)[C@@H]([C@H](C[C@H](O2)CCO)O)O 1 -0.456 0 5 0 0.681526867368864 9549953 C[C@@H]1CC[C@]2(O1)[C@H]([C@@H](C[C@H](O2)CCO)O)O 1 -0.912 0 5 0 0.70912363893803 9549952 C1COC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N)CC(=O)N)CCC(=O)O)[N+](=O)[O-])I 1 -2.092 6 10 0 -15.0860366452814 9549951 C[C@H]1CC[C@]2(O1)[C@@H]([C@H](C[C@@H](O2)CCO)O)O 1 -0.912 0 5 0 0.70912363893803 9549950 C1C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2NC1)I)[N+](=O)[O-])CO)C(=O)N 1 -1.515 6 7 0 -14.558832227567 9549949 CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)NC(CC(=O)O)C(=O)N)CO 1 -0.807 7 10 0 -20.2357446759542 9549948 C1CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C1)C(=O)NC(CC(=O)O)C(=O)N)CO)[N+](=O)[O-])I 1 -2.134 7 10 0 -23.7705656288237 9549947 C1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C3=CC(=CC(=C3NC1)I)[N+](=O)[O-])CCC(=O)N)C(=O)N 1 -0.75 7 7 0 -14.2755472880912 9549946 C1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2NC1)I)[N+](=O)[O-])CO)CC3=CC=C(C=C3)O)C(=O)N 1 0.283 6 8 0 -7.93381739668177 9549945 C[C@@H]1CCC[C@]2(O1)[C@H]([C@@H](C[C@@H](O2)CCO)O)O 1 -0.456 0 5 0 0.681526867368864 9549944 C1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2NC1)I)[N+](=O)[O-])CO)CC3=CC=C(C=C3)O)C(=O)NC(CC(=O)O)C(=O)N 1 -0.792 7 11 0 -17.3988518881544 9549943 C[C@H]1C(=O)N[C@@H](CCCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)CCC(=O)N)[N+](=O)[O-])I)C(=O)N 1 -1.068 7 7 0 -16.3200762389193 9549942 CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CO 1 -0.188 6 7 0 -11.2666451719458 9549941 C[C@H]1CCC[C@@]2(O1)[C@@H]([C@H](C[C@@H](O2)CCO)O)O 1 -0.456 0 5 0 0.681526867368864 9549940 C[C@H]1CC[C@@]2(O1)[C@@H]([C@H](C[C@@H](O2)CCO)O)O 1 -0.912 0 5 0 0.70912363893803 9549939 C[C@H]1CCC[C@@]2(O1)[C@H]([C@@H](C[C@H](O2)CCO)O)O 1 -0.456 0 5 0 0.681526867368864 9549938 C[C@@H]1CCC[C@]2(O1)[C@H]([C@@H](C[C@H](O2)CCO)O)O 1 -0.456 0 5 0 0.681526867368864 9549937 C1COC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)NC(CC(=O)O)C(=O)N)CO)CCC(=O)O)[N+](=O)[O-])I 1 -2.809 6 13 0 -19.2687621212986 9549936 C[C@@H]1CCC[C@@]2(O1)[C@H]([C@@H](C[C@@H](O2)CCO)O)O 1 -0.456 0 5 0 0.681526867368864 9549935 C1CNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N)CC3=CC=C(C=C3)O)CO)[N+](=O)[O-])I 1 -0.297 6 8 0 -5.90285461826553 9549934 C1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2NC1)I)[N+](=O)[O-])CCC(=O)O)CO)C(=O)N 1 -1.329 6 9 0 -16.637474808807 9549933 C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCOC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CCC(=O)O 1 -0.846 5 9 0 -13.0351184185341 9549932 C1COC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)NC(CC(=O)O)C(=O)N)CC3=CC=C(C=C3)O)CO)[N+](=O)[O-])I 1 -1.197 6 12 0 -12.4031989961034 9549931 C[C@H]1C(=O)N[C@@H](CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)CCC(=O)N)[N+](=O)[O-])I)C(=O)N 1 -1.648 7 7 0 -14.289113460503 9549930 C1[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2S1)I)[N+](=O)[O-])CCCCN)CC3=CC=C(C=C3)O)C(=O)N 1 1.183 6 7 0 -5.31823658079576 9549929 C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CCC(=O)O 1 -1.021 6 8 0 -15.9998085321688 9549928 CC1=C(C(=O)C2=CC=CC=C2N1C)O 1 1.542 1 2 0 -6.46237816126027e-003 9549927 CC(=O)C[C@H](C1=CC(=CC=C1)C(F)(F)F)NC(=O)OC 1 2.401 1 3 -5.70207244002956 9549925 CCCCC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)[C@H](CC5=CC=C(C=C5)O)N6C=C(N=N6)CCO)NCCOCCOCCOCC#C.[Cl-] Cl- 1 1.478 15 7 0 -11.6514513846073 9549924 CCCCCCC(=O)CC1=CC(=C(C=C1C=C(C(=O)OCC)C(=O)OCC)OC)OC 1 4.89 0 7 0 -5.59386452155088 9549923 C1[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2S1)I)[N+](=O)[O-])CCCCN)CCC(=O)N)C(=O)N 1 -1.057 7 7 0 -11.7455986434167 9549922 C1[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2S1)I)[N+](=O)[O-])CCCCN)C(=O)N 1 -0.616 6 6 0 -13.9677521643034 9549921 C[C@H]([C@H]1C(=O)NCC(=O)N[C@@H](CCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)O 1 -1.718 6 7 0 -12.2450579560973 9549920 C[C@H]1C(=O)N[C@@H](CCOC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)[N+](=O)[O-])I)C(=O)N 1 -1.217 8 7 0 -10.5184914373608 9549919 CC(C)C[C@H]1C(=O)N[C@@H](CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CC=C(C=C3)O)CCC(=O)N)[N+](=O)[O-])I)C(=O)N 1 0.441 8 9 0 -12.4260343480655 9549918 C1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2NC1)I)[N+](=O)[O-])CC3=CC=CC=C3)CC4=CN=CN4)C(=O)N 1 0.861 8 6 0 -8.74222718715106 9549917 CC1=C(C(=O)C=CN1CC2=CC=CC=C2)O 1 1.444 1 2 0 -2.94032533909293 9549915 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCCN=C([NH3+])N)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 -0.352 20 5 0 -28.5763486208921 9549913 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)[C@H]([C@@H](C)CC)N4C=C(N=N4)CCCN=C([NH3+])N)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 1.432 20 5 0 -19.5664986528416 9549911 CCCCC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)[C@H](C)N5C=C(N=N5)CCCN=C([NH3+])N)NCCOCCOCCOCC#C.[Cl-] Cl- 1 -4.2e-002 18 5 0 -19.7133408411745 9549909 C[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CC(C)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 -1.067 17 6 0 -24.4074915266807 9549908 C1CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C1)C(=O)N)CCCCN)[N+](=O)[O-])F 1 -0.623 7 6 0 -17.2512966405725 9549907 CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])F)C(=O)N)CCCCN 1 1.161 7 6 0 -17.383876958578 9549906 C[C@H](C1C(=O)N[C@@H](CCCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)CCCCN)[N+](=O)[O-])I)C(=O)N)O 1 -0.733 7 7 0 -14.0674965765637 9549905 C1COC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N)CCC(=O)N)CC3=CC=C(C=C3)O)[N+](=O)[O-])F 1 -0.532 6 9 0 -7.23936728601447 9549904 C1CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C1)C(=O)N)CCC(=O)O)CC(=O)O)[N+](=O)[O-])F 1 -0.976 6 10 0 -20.3952137885862 9549903 C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCOC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CCCCN 1 -0.627 6 7 0 -9.52669798888348 9549902 C1CNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N)CCC(=O)N)CO)[N+](=O)[O-])I 1 -2.536 7 8 0 -12.4535288789023 9549900 C[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCCN=C([NH3+])N)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 -1.651 20 5 0 -25.2985450425401 9549898 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](C(C)C)N4C=C(N=N4)CCO)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 1.181 17 6 0 -19.2117529405916 9549897 C1[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2S1)I)[N+](=O)[O-])CCCCN)C(=O)NCC(=O)N 1 -1.556 7 7 0 -17.0676294280269 9549896 C1CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C1)C(=O)N)CCCN=C(N)N)[N+](=O)[O-])F 1 -1.213 9 6 0 -18.0775425552862 9549894 C[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)[C@H](CC4=CC=C(C=C4)O)N5C=C(N=N5)CCO)N6C=C(N=N6)CCCN=C([NH3+])N.[Cl-] Cl- 1 0.353 17 7 0 -11.8568372605374 9549892 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CC(C)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 0.232 17 6 0 -27.6852951050327 9549890 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](C)N4C=C(N=N4)CCCN=C([NH3+])N)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 0.132 20 5 0 -19.649901459951 9549889 CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])F)C(=O)N)CC(=O)N 1 -7.e-003 7 7 0 -19.1734301104441 9549887 CCCCC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)[C@H]([C@@H](C)CC)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 1.258 18 5 0 -22.7728451163193 9549886 C1COC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N)CCCCN)CCC(=O)O)[N+](=O)[O-])I 1 -3.404 6 9 0 -12.8964307493404 9549885 C1[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2S1)I)[N+](=O)[O-])CCC(=O)O)CCCCN)C(=O)NCC(=O)N 1 -3.848 7 9 0 -16.7217185125696 9549883 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](CC4=CC=C(C=C4)O)N5C=C(N=N5)CCO)NCCOCCOCCOCC#C)N6C=C(N=N6)CCCN=C([NH3+])N.[Cl-] Cl- 1 1.652 17 7 0 -15.1346408388894 9549882 C[C@@H]1CCC[C@@]2(O1)[C@H]([C@@H](C[C@H](O2)CCO)O)O 1 -0.456 0 5 0 0.681526867368864 9549881 C[C@@H]1[C@H]([C@@H](NC(=O)O1)C2=CC=CC=C2)C(=O)OC 1 1.691 1 4 0 -4.29042602080578 9549879 CC(CC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCOCC4)O.[Cl-] Cl- 1 -1.032 11 6 0 -17.1102827039758 9549878 C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])F)C(=O)N)CC(=O)N 1 -1.762 7 7 0 -17.3262674133037 9549876 C[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)[C@H](C)N4C=C(N=N4)CCCN=C([NH3+])N)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 -1.167 20 5 0 -16.2886950744896 9549875 C1C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2NC1)F)[N+](=O)[O-])CO)C(=O)N 1 -1.888 6 7 0 -15.5731956080701 9549874 C1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C3=CC(=CC(=C3NC1)F)[N+](=O)[O-])CCC(=O)N)C(=O)N 1 -1.123 7 7 0 -15.2899106685943 9549872 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)CN3C=C(N=N3)CCCN=C([NH3+])N)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 -2.135 20 5 0 -20.9563917858359 9549871 C1COC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N)CCC(=O)N)CO)[N+](=O)[O-])I 1 -2.362 6 9 0 -9.48883876526763 9549870 C1CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C1)C(=O)N)CO)CC(=O)N)[N+](=O)[O-])F 1 -2.194 7 8 0 -15.4029292752507 9549868 C[C@H]([C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](C)N4C=C(N=N4)CCCN=C([NH3+])N)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+])O.[Cl-] Cl- 1 -1.988 18 6 0 -17.2095801730528 9549866 C[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCOCC3)N4C=C(N=N4)CCCN=C([NH3+])N.[Cl-] Cl- 1 -0.531 13 5 0 -18.4848635075125 9549865 CC(C)C[C@H]1C(=O)N[C@@H](CCOC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)CO)[N+](=O)[O-])I)C(=O)N 1 -0.204 5 8 0 -9.97104526461679 9549864 C[C@H]1C(=O)N[C@@H](CCCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)CCC(=O)O)[N+](=O)[O-])F)C(=O)N 1 -0.813 6 8 0 -19.2106822248518 9549863 CC(C)C[C@H]1C(=O)N[C@@H](CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)C(C)C)[N+](=O)[O-])I)C(=O)N 1 1.352 6 6 0 -12.8989033215013 9549862 C1COC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N)CCCCN)CCC(=O)O)[N+](=O)[O-])I 1 -3.404 6 9 0 -12.8964307493404 9549860 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)[C@H]([C@@H](C)O)N4C=C(N=N4)CCCC[NH3+])N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 -0.689 18 6 0 -20.4873837514048 9549859 CC(=O)C1=C(C=C(C=C1OC)OC)OC(=O)C2=CC=C(C=C2)OC 1 2.952 0 6 -8.69110094516216 9549858 C[C@@H]1C=CCCO[C@H]1C2=C(C=CC(=C2)OC)OC 1 2.878 0 3 -3.34147540421623 9549857 CCOP(=O)(CC(C(C1=CC=CC=C1)O)C(=O)C)OCC 1 1.007 0 5 0 -7.62784649004803 9549856 C1CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C1)C(=O)N)CCC(=O)N)CCCCN)[N+](=O)[O-])F 1 -1.064 8 7 0 -16.7769033262492 9549855 C1COC2=C(C=C(C=C2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H]1C(=O)N)CO)[N+](=O)[O-])F 1 -2.293 5 8 0 -12.3253029225826 9549854 CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CCCCN 1 1.168 6 6 0 -12.3525722757455 9549853 C1C[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2NC1)I)[N+](=O)[O-])CCC(=O)O)CC(=O)N)C(=O)N 1 -1.687 7 9 0 -20.0816895373324 9549852 CC(CC1=CN(N=N1)CC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)CN5C=C(N=N5)CC(C)O)O 1 -0.968 14 7 0 -16.7835151894985 9549850 CCCCC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)[C@H](CCCC[NH3+])N5C=C(N=N5)CCCC.[Cl-] Cl- 1 1.083 16 5 0 -17.3160231553981 9549848 CC(CC1=CN(N=N1)CC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)[C@H](CCCC[NH3+])N5C=C(N=N5)CCC(=O)O)O.[Cl-] Cl- 1 -1.676 15 8 0 -29.5334082260416 9549846 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCOCC2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCCN=C([NH3+])N.[Cl-] Cl- 1 -1.016 13 5 0 -23.1525602188587 9549844 C[C@H]([C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCO)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+])O.[Cl-] Cl- 1 -2.267 15 7 0 -23.286838552766 9549842 CC(C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCCN=C([NH3+])N)NCCOCCOCCOCC#C)N5C=C(N=N5)CCO.[Cl-] Cl- 1 -0.602 17 6 0 -24.8603965231808 9549840 C[C@H]([C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](CC4=CC=C(C=C4)O)N5C=C(N=N5)CCO)NCCOCCOCCOCC#C)N6C=C(N=N6)CCCC[NH3+])O.[Cl-] Cl- 1 -0.469 15 8 0 -10.7970768404518 9549838 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](C)N4C=C(N=N4)CCC(=O)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 0.297 15 7 0 -23.4672726090184 9549837 CC(CC1=CN(N=N1)CC(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCOCC4)O 1 -0.432 10 6 0 -18.9796836225214 9549836 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)[C@H](CC3=CC=C(C=C3)O)N4C=C(N=N4)CCO)N5CCN(CC5)C(=O)[C@H](CC6=CC=C(C=C6)O)N7C=C(N=N7)CCO 1 1.873 14 9 0 -7.96911423356469 9549834 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](C(C)C)N4C=C(N=N4)CCO)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 0.87 15 6 0 -17.6964206486799 9549832 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCCN=C([NH3+])N)NCCOCCOCCOCC#C)N5C=C(N=N5)CCC(=O)O.[Cl-] Cl- 1 0.123 17 7 0 -33.9090520618713 9549830 CC(CC1=CN(N=N1)CC(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCCC[NH3+])NCCOCCOCCOCC#C)O.[Cl-] Cl- 1 -1.863 15 6 0 -18.9325714963815 9549829 C1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2NC1)F)[N+](=O)[O-])CCC(=O)O)CO)C(=O)N 1 -1.702 6 9 0 -17.6518381893102 9549828 CC[C@H](C)C1C(=O)NC(CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)CC(=O)O)[N+](=O)[O-])I)C(=O)N 1 -4.3e-002 6 8 0 -17.6607682773418 9549826 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](CCCC[NH3+])N4C=C(N=N4)CCC(=O)O)NCCOCCOCCOCC#C)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 -0.476 18 7 0 -27.6363693314412 9549824 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCOCC3)N4C=C(N=N4)CCCN=C([NH3+])N.[Cl-] Cl- 1 0.768 13 5 0 -21.7626670858645 9549823 CCCCCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CCC3=CC=CC=C3)(C)OC(=O)C 1 5.134 1 4 -3.8430325645514 9549822 CC1=CC2=C(CCCN2C[C@@H](C)ON=C3[C@H]4CCN5C(=O)N(C(=O)N5[C@H]4[C@@H]([C@H]6[C@@H]3O6)O)C7=CC=CC=C7)N=C1C 1 2.527 6 5 0 -10.4814377757117 9549821 C[C@H](C1C(=O)N[C@@H](CCCCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)CCCCN)[N+](=O)[O-])F)C(=O)N)O 1 -0.649 7 7 0 -14.8285588668509 9549820 CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCOC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])F)C(=O)N)CCCCN 1 0.299 6 7 0 -12.6415251567429 9549819 C1CNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N)CC3=CC=C(C=C3)O)CCC(=O)N)CO)[N+](=O)[O-])I 1 -1.679 8 10 0 -8.65698844783586 9549818 CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C=NOC[C@@H](C)[C@@H](C(C)C)OCC2=CC=CC=C2)[C@H](C)/C=C/CC(=O)OC 1 5.22 2 6 0 -14.3012369576524 9549817 CC(C)C(=O)NC(=O)[C@@H]1CCCN1C(=O)/C=C/C2=CC=CC=C2 1 2.281 2 3 -10.689021235365 9549815 CC(C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCCC[NH3+])NCCOCCOCCOCC#C)N5C=C(N=N5)CCO.[Cl-] Cl- 1 -0.913 15 6 0 -23.345064231269 9549813 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)[C@H]([C@@H](C)CC)N4C=C(N=N4)CCCC[NH3+])N5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 0.81 16 5 0 -18.0511663609298 9549812 C1CCO[C@]2(C1)[C@H]([C@@H](C[C@H](O2)CCO)O)O 1 -0.833 0 5 0 -5.02480569818569e-002 9549811 C1CCO[C@@]2(C1)[C@@H]([C@H](C[C@@H](O2)CCO)O)O 1 -0.833 0 5 0 -5.02480569818569e-002 9549810 C[C@@H]1CC[C@]2(O1)[C@@H]([C@H](C[C@@H](O2)CCO)O)O 1 -0.912 0 5 0 0.70912363893803 9549809 C[C@@H]1CC[C@@]2(O1)[C@H]([C@@H](C[C@H](O2)CCO)O)O 1 -0.912 0 5 0 0.70912363893803 9549808 C1CNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N)CCCCN)CCC(=O)O)[N+](=O)[O-])I 1 -3.579 7 8 0 -15.8611208629751 9549807 CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C=NO[C@H](C)C2=CN(N=N2)[C@@H]3COC[C@H]3O)[C@H](C)/C=C/CC(=O)OC 1 1.707 5 7 0 -15.8208821927039 9549806 C1C[C@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C2=CC(=CC(=C2NC1)F)[N+](=O)[O-])CC3=CC=C(C=C3)O)CCC(=O)N)C(=O)N 1 -0.127 7 8 0 -12.2350201780654 9549804 CCCCC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCN(CC4)C(=O)[C@H](C(C)C)N5C=C(N=N5)CCO.[Cl-] Cl- 1 1.007 15 6 0 -17.1012090642167 9549802 C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)CN3C=C(N=N3)CCCC[NH3+])N4CCN(CC4)C(=O)CN5C=C(N=N5)CCCC[NH3+].[Cl-] Cl- 1 -2.757 16 5 0 -19.441059493924 9549801 CC(C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCO)NCCOCCOCCOCC#C)N5C=C(N=N5)CCO 1 -0.396 14 7 0 -21.1960079243859 9549799 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCOCC3)N4C=C(N=N4)CCCC[NH3+].[Cl-] Cl- 1 0.457 11 5 0 -20.2473347939527 9549797 C[C@H]([C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCOCC3)N4C=C(N=N4)CCCC[NH3+])O.[Cl-] Cl- 1 -1.353 11 6 0 -17.1483625413679 9549796 CC(C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)[C@H](C(C)C)N4C=C(N=N4)CCO)N5C=C(N=N5)CCO 1 0.931 14 7 0 -12.1861579563355 9549795 C1CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C1)C(=O)N)CC(=O)O)[N+](=O)[O-])F 1 -1.163 6 8 0 -20.1546654942762 9549794 C1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2NC1)I)[N+](=O)[O-])CO)CCC(=O)N)CC3=CC=C(C=C3)O)C(=O)N 1 -1.099 8 10 0 -10.6879512262521 9549793 CC(C)C[C@H]1C(=O)N[C@@H](CCCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)CC3=CC=C(C=C3)O)[N+](=O)[O-])I)C(=O)N 1 2.403 6 7 0 -11.7028632969114 9549792 C1C[C@H]2C(=O)NC(CCOC3=C(C=C(C=C3C(=O)NC(C(=O)N2C1)CC(=O)N)[N+](=O)[O-])I)C(=O)N 1 -1.476 6 8 0 -10.2024955166896 9549790 C[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)CN4C=C(N=N4)CCCC[NH3+])NCCOCCOCCOCC#C)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-] Cl- 1 -1.962 18 5 0 -25.9571960082268 9549789 CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C=NO[C@@H](C)C2=CN(N=N2)[C@@H](CC3=CC=CC=C3)CO)[C@H](C)/C=C/CC(=O)OC 1 3.895 5 6 0 -12.3503812522713 9549788 CCCNC(=O)OCC1C(C=CC(O1)CCON=CC2=CC=C(C=C2)C(=O)N3[C@@H](CCC([C@H]3C4=CC=C(C=C4)C)C)C(=O)OC)OC5=CC=C(C=C5)OC 1 6.915 3 9 0 -14.8043020243157 9549787 CC(=O)OC[C@@H]1[C@H](C=C[C@H](O1)CC=NO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C 1 -0.679 1 15 0 -22.1995314393994 9549786 CC1=CC2=C(CCCCN2CCC(=NOC[C@@H]3[C@H](C=C[C@H](O3)C4=CC=CC=C4)OC5=CC=C(C=C5)OC)C)N=C1C 1 5.982 3 4 0 -9.11072361001531 9549785 C[C@H](/C=C/CC(=O)OC)[C@@H](C=NOC[C@@H]1[C@H](C=C[C@H](O1)C2=CC=CC=C2)OC3=CC=C(C=C3)OC)OC 1 4.3 1 7 0 -8.70279512804704 9549784 CCCNC(=O)OC[C@@H]1[C@H](C=C[C@H](O1)CCON=C[C@H]([C@H](C)/C=C/CC(=O)OC)OC)OC2=CC=C(C=C2)OC 1 3.487 2 9 0 -18.1778781339541 9549783 CC1CC[C@H](N([C@@H]1C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C=NOC(C)C4=CN(N=N4)C(CC5=CC=CC=C5)CO)C(=O)OC 1 6.146 5 5 0 -5.27309913368568 9549782 CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C=NOC[C@@H]2[C@H](C=C[C@H](O2)C3=CC=CC=C3)OC4=CC=C(C=C4)OC)[C@H](C)/C=C/CC(=O)OC 1 5.477 2 8 0 -13.1105829488024 9549781 CCCNC(=O)OC[C@@H]1[C@H](C=C[C@H](O1)CCON=C[C@H]([C@H](C)/C=C/CC(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C)OC3=CC=C(C=C3)OC 1 4.664 3 10 0 -22.2444532492922 9549780 CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C=NOCC[C@@H]2C=C[C@@H]([C@H](O2)COC(=O)C)OC(=O)C)[C@H](C)/C=C/CC(=O)OC 1 2.019 2 10 0 -21.5120174391114 9549779 CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C=NO[C@H]2C=C[C@H](O[C@@H]2CO)CC=C)[C@H](C)/C=C/CC(=O)OC 1 2.676 2 7 0 -19.8517819885318 9549778 CC1=CC2=C(CCCCN2CCC(=NO[C@@H](C)CN3CCCCC4=C3C=C(C(=N4)C)C)C)N=C1C 1 5.341 5 1 -9.24956218951896 9549777 CC1=CC2=C(CCCCN2C[C@H](C)ON=C(C)CCC(=O)OC[C@@H]3[C@H](C=C[C@H](O3)C4=CC=CC=C4)OC5=CC=C(C=C5)OC)N=C1C 1 6.314 3 6 0 -16.280624469479 9549776 C[C@@H](C1=CN(N=N1)[C@@H](CC2=CC=CC=C2)CO)ON=C(C)CCC(=O)OC[C@@H]3[C@H](C=C[C@H](O3)C4=CC=CC=C4)OC5=CC=C(C=C5)OC 1 5.373 4 7 0 -11.9628039775952 9549775 CC1=CC=C(C=C1)O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CCC(=NO[C@@H](C)CN3CCCCC4=C3C=C(C(=N4)C)C)C)C#CC5=CC=CC=C5 1 7.407 3 5 0 -13.3406211206807 9549773 CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](C)N4C=C(N=N4)CCCN=C([NH3+])N)NCCOCCOCCOCC#C)N5C=C(N=N5)CCC(=O)O.[Cl-] Cl- 1 0.608 17 7 0 -24.9826049009301 9549772 CCCCCCCC#CC1=CC=CC=C1C=NS(=O)C2=CC=C(C=C2)C 1 7.703 1 1 3.84812425082368 9549771 C1C[C@H](N(C1)C(=O)/C=C/C2=CC=CC=C2)CO 1 1.662 1 2 0 -2.07355217650215 9549770 CC(=O)C[C@H](C1=CC=CC=C1)NC(=O)OC 1 1.459 1 3 0 -9.47237296182749 9549769 C[C@H]1CC[C@H](N([C@@H]1C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C=NO[C@@H](C)CN4CCCCC5=C4C=C(C(=N5)C)C)C(=O)OC 1 7.087 4 4 0 -10.0722476819515 9549768 C1CNC2=C(C=C(C=C2C(=O)NCC(=O)N[C@H](C(=O)NC1C(=O)N)CC(=O)N)[N+](=O)[O-])I 1 -2.454 7 7 0 -14.0654690707749 9549767 CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCOC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CCC(=O)O 1 -3.e-003 5 9 0 -11.7108148322638 9549766 C[C@H](C1C(=O)N[C@@H](CCOC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)CCCCN)[N+](=O)[O-])I)C(=O)N)O 1 -1.138 6 8 0 -9.07184368451271 9549765 C1CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C1)C(=O)N)CC3=CC=C(C=C3)O)CCC(=O)N)CO)[N+](=O)[O-])I 1 -0.642 8 10 0 -10.4346501360362 9549764 CC(C)C[C@H]1C(=O)N[C@@H](CCOC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)C(C)C)[N+](=O)[O-])I)C(=O)N 1 1.527 5 7 0 -9.93421320786663 9549763 CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])F)C(=O)N)CO 1 -0.561 6 7 0 -12.281008552449 9549762 C1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2NC1)F)[N+](=O)[O-])CO)CC3=CC=C(C=C3)O)C(=O)N 1 -9.e-002 6 8 0 -8.94818077718493 9549761 CC1=CC=CC=C1COC[C@H](CC(C)C)N2CCN(CCC2=O)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 5.066 2 3 -9.65701967826399 9549760 C[C@H]1CCC[C@]2(O1)[C@@H]([C@H](C[C@@H](O2)CCO)O)O 1 -0.456 0 5 0 0.681526867368864 9549759 CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@@]5(C4C(C[C@@]3([C@@]2(O1)C(=O)COC(=O)C)C)OC(=O)C)C 1 2.956 0 8 0 -9.12997276443637 9549758 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)F)F 1 3.022 2 4 -15.7744156265922 9549757 C1=CC=[N+]2C(=C1)C=CC3=C2C=C(C=C3)O.[I-] I- 1 2.925 1 1 4.01140631065365 9549756 CC1=C(C=C(N1CCOC)C2=CC=CC=C2)C(=O)O 1 2.583 1 3 -6.36991301029608 9549755 COC1=CC(=NC=C1)CSC(=NC2=CC=C(C=C2)F)N.Cl Cl- 1 3.043 3 1 0.723790621730452 9549754 CCC(C)N(CC(C)C)C(=S)SC(C(Cl)(Cl)Cl)NC(=O)C 1 5.636 2 1 -9.26914604847736 9549753 CCN1C=NC2=C1C=CC(=C2)NCC3=NC4=CC=CC=C4N3CC5=CC=CC=C5 1 4.79 5 0 -5.33090628643399 9549752 COC1=CC=C(C=C1)N2COC3C2C4=CC=CC5=C4C3=CC=C5 1 3.948 1 2 -0.45141667965573 9549751 C1=CC=C(C=C1)C2N(C3C(O2)C4=CC=CC5=C4C3=CC=C5)C6=CC=CC=C6 1 5.765 1 1 0.625028516640681 9549750 CC(C)C1N(C2C(O1)C3=CC=CC4=C3C2=CC=C4)C5=CC=CC=C5 1 5.244 1 1 0.434562851358583 9549748 C1CNC(=S)C(C2=CC=CC=C21)C3=CC=CC=C3Cl 1 4.4 1 0 -6.80994749260215 9549746 CC(=O)NCCCOC1=CC=CC=C1 1 1.068 1 2 0 -6.68704591789152 9549745 C1C(CN(C1=O)CC2=CC=CO2)C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4 1 2.833 1 7 0 -21.9987170318821 9549743 C1CCC2(CC1)C(=C(NC(=C2C#N)SCC(=O)NC3=CC=CC=C3)N)C#N 1 2.702 5 1 -15.8584819712572 9549742 COC1=CC=CC=C1C=NNC(=O)C2=NNC(C2)(C3=CC=CC=C3)C4=CC=CC=C4 1 3.633 4 2 -7.65493266548876 9549741 CCCNCC1=CC(=C(C(=C1)Cl)OCC)Cl.Cl Cl- 1 3.901 1 1 -1.45737268513063 9549740 C1C(C(=N)C(=O)O1)C2=C(C=CC(=C2)Cl)NC(=O)NC3=CC=CC=C3 1 2.738 3 3 -5.14137374835077 9549739 CCOC(=O)C1=NN(C2=NC(=C(C(N12)C3=CC=CS3)C(=O)OC)C)C4=CC=C(C=C4)F 1 3.556 4 4 0 -20.0444016833178 9549738 CC1=CC=C(O1)C=C2C(=O)N3CCCN=C3S2 1 1.83 2 2 0 -10.1392898770384 9549737 CCC(=NNC1=CC=CC=C1)C2=CN=NC(=N2)C3=CC=CC=C3 1 3.898 5 0 2.59321711047698 9549736 CC1=CC(=CC=C1)N2C3=C(C(=N2)C)N=C(N=N3)SC 1 3.469 5 0 2.10665075016771 9549735 CCOC(=O)C[N+]1=C(C=CC2=C1CCC2)C.[Br-] Br- 1 2.563 1 2 -6.06234513508899 9549734 CCCCCCCCCCNC(=O)CCN1C(=O)C2=CC=CC=C2C(=O)N1 1 3.621 3 3 -10.3056752283274 9549733 C1CNC(=NC1)SCC2=CC(=CC=C2)Cl.Cl Cl- 1 2.964 2 0 -8.48993880423647 9549732 C1CN(CCN1CCCCN2C(=O)CC(=C3C4=CC=CC=C4C5=CC=CC=C53)C2=O)C6=CC=CC=C6.O.Cl Cl- H2O 1 4.902 3 2 -0.3032443183682 9549731 CC1=NC(=C(C(=C1)C#N)C)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=CC=C4 1 4.084 6 1 0 -11.331181993037 9549729 CC1=CC=C(C=C1)NC2=C(C(C(C(=C2)C)C(=O)OC)C3=CC(=CC=C3)OC)C(=O)OC 1 4.363 1 5 -6.12863931619687 9549728 CCN\1C2=C(C=C(C=C2)C(=O)OCC)N(/C1=C\C=C/3\C(=O)N(C(=S)S3)CC)CC 1 5.05 3 3 -9.90446365642474 9549726 CN(C)CC1CSCCC1(C2=CC=C(C=C2)Cl)O.Cl Cl- 1 2.464 1 1 7.1871261263453 9549725 CO[C@H]1[C@@H]([C@@H](O[C@H]2[C@@H]1OC(OC2)C3=CC=CC=C3)OC)O 1 0.722 0 6 0 -5.3937330981409 9549724 CC(CS(=O)(=O)C1=CC2=CC=CC=C2C=C1)N3CCN(CC3)C4CCCCC4 1 4.596 2 2 -4.07219366418042 9549723 CCCCOC1=C(C=C(C=C1Br)C=NO)OCC 1 4.049 1 3 3.92816834008306e-002 9549722 CC(C1C(=O)OC2(N1C(=S)NC(C2)(C)C)C)O 1 1.488 2 3 0 -6.11632630827512 9549721 CCOC(=O)C1=NN(C2=NC(=C(C(N12)C3=CC=CS3)C(=O)OC)C)C4=CC(=CC=C4)Cl 1 4.015 4 4 0 -17.8318955430989 9549720 CN1C[C@@H]2[C@H](C(C(C(=C2C=C1)C#N)N)(C#N)C#N)C3=CC=CC=C3 1 0.823 5 0 0 -4.93572619550284 9549719 CCOC(=O)C(C(=O)C)SC1=NN=C(O1)C2=CC=NC=C2 1 1.048 3 4 0 -8.41979595229851 9549718 CCCC(=NNC1=CC=C(C=C1)Cl)C2=CN=NC(=N2)C3=CC=CC=C3 1 5.019 5 0 2.40895153809488 9549717 CC1=NC2=CC=CC=C2N1CC(COC3=CC=CC(=C3)NC(=O)C)O 1 2.054 3 3 -1.40513400967329 9549716 C[C@@H](C1=CC=CC=C1)NC2=NC(=C(N(C2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)Cl 1 4.684 3 3 -5.20239232317202 9549715 CCOC1=C(C=C(C=C1Cl)CNCC(C)C)Cl.Cl Cl- 1 4.22 1 1 -3.15063083529173 9549714 CC1N(CCS1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.448 1 2 -11.3713364409848 9549713 CC(C)CNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)NCC2CCCO2)Cl 1 1.999 2 5 0 -21.4524705437298 9549712 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)(C)C)O[C@H]1OC3=CC(=CC=C3)OC)O 1 0.108 1 7 0 -14.1792565775578 9549711 CCC1=C(N(C(=O)/C(=C(/C)\NOCC)/C1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.588 2 3 -2.55118383202579 9549710 CCC1=C(N(C(=O)/C(=C(/C)\NOCC=C)/C1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.856 2 3 -6.24903110225099 9549709 C1C(=NN(C1(C2=CC=C(C=C2)[N+](=O)[O-])O)CC(=O)C3=CC=CC=C3)C(F)(F)F 1 3.265 3 4 0 -3.57833514502627 9549708 CN(CC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31)CC#C.Cl Cl- 1 5.658 1 0 -3.35854574105328 9549707 CCCCNC1=C(C=NC=C1)S(=O)(=O)NC(=O)NC(C)C.[N+](=O)(O)[O-] NO3 1 1.234 4 3 0 -14.7198957476702 9549706 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43 1 2.911 1 3 -13.7320177278226 9549705 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CO3)N/C=C/4\C=CC=CC4=O 1 2.063 3 3 -3.80268100497958 9549704 CCN=C(NC1=CC2=C(C=C1)OCO2)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)OC 1 3.208 3 5 0 -5.2414413536573 9549703 CC1=C(N(C(=O)/C(=C(/C)\NOCC=C)/C1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.399 2 3 -4.65426880554483 9549698 CC\1=NN(C(=O)/C1=C\C=C\C2=CC=CO2)C3=CC=CC(=C3)C(=O)O 1 2.527 2 4 -2.7437384065713 9549696 CC1CCC(C(C1)OC(=O)C2=C3C4=CC=CC=C4S(=O)(=O)N3CC2)C(C)C 1 3.893 1 4 -3.37046624145366 9549695 CC(C(=O)O)OC1=CC=CC2=C1OC(C2)(C)C 1 2.42 0 4 -9.73616849846762 9549694 CCCCC(=NN/C=C\1/C2=C(C=C(C=C2)C3=NNC(=O)CC3)N(C1=O)CC)CCCC 1 3.03 5 2 0 -13.5972884334461 9549693 C/C(=C/C(=O)C)/NC(CC1=CNC2=CC=CC=C21)C(=O)O 1 1.843 2 3 0 -8.57191209233229 9549692 COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC(=C4C5=CC=CC=C5C6=CC=CC=C64)C3=O.Cl Cl- 1 4.243 3 3 -5.38679088769592 9549691 COC1=CC2=C(C=C1)N3C(=CC(=O)N=C3S2)C(=O)OC 1 2.052 2 4 -9.18207312632001 9549690 C1=CC(=CC=C1NCC2=NN=C(O2)SCC#N)F 1 1.809 4 1 0 -13.9118015795405 9549689 CC(C)(C)C1=CC=CC=C1N/C(=C/2\C(=O)C3=CC=CC=C3N(C2=O)C)/C4=NNN=N4 1 3.263 6 2 0 -3.61727489990617 9549688 CC1=CC(=C(C=C1)NC2=C/C(=N\S(=O)(=O)C3=CC=CS3)/C4=CC=CC=C4C2=O)C 1 5.018 2 3 -1.74083701412983 9549687 CC1=CC(=NC(=N1)N)N2CCN(CC2)C3=CC=CC=C3.Cl Cl- 1 1.819 5 0 0 2.03523306495104 9549686 CN1C=NN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4Cl 1 4.534 5 1 -22.7270182710264 9549685 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)N(C2=CC=CC=C2)S(=O)(=O)C 1 1.882 3 5 0 -16.982835288608 9549684 CC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC=CO2)/N 1 2.268 2 3 3.66443030858162 9549683 C1CN(CCN1C2=NC3=CC=CC=C3C(=N2)N)C(=O)C4=CC=CO4.Cl Cl- 1 1.52 5 2 0 1.39605340315824 9549682 C1CN(C2=CC=CC=C2[N+]3=C1SC=C3)C=O.[Br-] Br- 1 1.878 2 1 0 -2.46696592942884 9549678 CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C 1 2.189 3 4 0 -21.6947133031153 9549677 C/C(=C/CC(C(=O)C)C(=O)NC1=CC=C(C=C1)OC)/Cl 1 2.397 1 3 -7.33018393562473 9549676 C1CC[C@@H]([C@@H](C1)C(=O)NNC(=O)C2=CC=CS2)C(=O)O 1 1.471 2 4 0 -9.24560459257104 9549675 CCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3CCCO3)C4=CC=CO4)/O 1 2.355 1 6 0 -13.5520697767843 9549674 CC(C(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)N(C3=CC=CC=C3)S(=O)(=O)C 1 1.169 3 5 0 -17.0097649976388 9549673 CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NCC#C.[N+](=O)(O)[O-] NO3 1 1.097 4 3 0 -15.5985184699728 9549672 CCN1C(=NN=C1SCC(=O)O)COC2=CC3=C(C=C2)OCO3.CCO CCO 1 1.842 3 5 0 -17.0146763004117 9549671 CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)Br 1 3.495 4 3 0 -8.34279404109742 9549670 CCOC(=O)C1=C(C2=C(N3CC(=C(C3=CC2=N1)C)C)CC(C)C)C.Cl Cl- 1 5.36 2 2 2.76441281281319 9549669 CCOC(=O)C1=CN2C3=C(C(=C(C=C3C1=O)F)F)SC(=N2)N4CCOCC4 1 2.43 3 4 0 -8.32879886949544 9549668 CC(C)N1C(C(SC1=S)(C)C)N2C(=O)N(C(=O)O2)C3=CC(=C(C=C3)Cl)Cl 1 6.073 3 3 -5.794951374292 9549667 CCOC(=O)C1=NN(C2=NC(=C(C(N12)C3=CC=CS3)C(=O)OC)C)C4=CC=CC=C4C 1 3.836 4 4 0 -20.107527709035 9549666 CCOC(=O)C1=NN(C2=NC(=C(C(N12)C3=CC=CS3)C(=O)OC)C)C4=CC=CC=C4 1 3.35 4 4 0 -21.1149761304501 9549665 CCOC1=C/C(=C/NNC2=NC(=NC(=N2)N3CCCC3)N4CCCC4)/C=CC1=O 1 0.856 7 2 0 -0.244441517455032 9549664 CCCCCCC12CCC(CC1)(CC2)C(=O)O 1 4.706 0 2 -2.70162905798237 9549663 CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=NC=C2)NC(=O)C 1 1.534 5 5 0 -13.5446551004446 9549662 CC1(C2CCC1(C(=O)N(C2=O)CSC(=S)NN/C=C/3\C=CC=CC3=O)C)C 1 2.665 3 3 -9.11267346256232 9549661 CCCCCN1C2=CC=CC=C2N3C1=NCC3.Br Br- 1 2.968 3 0 -6.12194306946032 9549660 CN(C)CC1CSCCC1(C2=CC=CC=C2Cl)O.Cl Cl- 1 2.464 1 1 5.50298328414503 9549659 CN(C)CC1CSCCC1(C2=CC=CC=C2)O.Cl Cl- 1 1.8 1 1 0 4.25495732611231 9549658 CCCN1C2=CC=CC=C2N(C1=N)CCOCCOCCN3C4=CC=CC=C4N(C3=N)CCC.Cl Cl- 1 3.62 6 2 0 -3.47164225955164 9549657 CCN(CC)CC(C)OC(=O)COC1=CC=C(C=C1)OC.Cl Cl- 1 2.718 1 4 -7.45134542917617 9549655 CC1=CC(=CC=C1)NC(=O)C2C3C=CC(C2C(=O)O)C4C3C4 1 2.11 1 3 -3.42180642484823 9549654 C1CC(=O)/C(=C\NCCCC(=O)O)/C(=O)C1C(=O)C2=CC=CC=C2 1 1.142 1 5 0 -15.278440805754 9549653 CC\1(CC2=C(C=NN2C3=CC=CC=C3)C(=O)/C1=N\NC(=O)C4=CC=NC=C4)C 1 2.69 5 2 0 -5.74164789651549 9549652 CC(=NNC(=O)C1CC1(C)C2=CC=CC=C2)/C=C/C3=CC=CC=C3 1 3.705 2 1 -3.22400990730311 9549649 CN(C)CC1CCCCC1C2(C3=C(SCC4=CC=CC=C42)SC=C3)O 1 4.736 1 1 0.245708007210201 9549648 C1=CC=C(C=C1)C2C3=CC=CC=C3OC4=CC=CC=C4N2 1 4.564 1 1 -8.74460621731416 9549645 CNCC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31.Cl Cl- 1 3.93 1 0 -0.451308520059831 9549641 CC1=C/C(=C\NNC(=O)C2=NNC(C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)C=C1 1 2.419 4 2 -8.61829093093976 9549640 COC1=CC=C(C=C1)N/C=C\2/C(=O)OC(=N2)C3=CC=CO3 1 2.032 2 4 -6.68580176025012 9549638 CN1CCN(CC1)C2=CC3=C(C=C(C=C3)Cl)SC4=C2C=C(C=C4)F.CS(=O)(=O)O.O H2O CS(=O)(=O)O 1 4.702 2 0 9.05140199561017 9549637 CN(CC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31)CC=C.Cl Cl- 1 5.083 1 0 -3.76679699632074 9549636 COC1=CC(=NC=C1)CSC(=NC2=CC=CC=C2OC)N.Cl Cl- 1 2.821 3 2 -0.460056619777866 9549635 CN(C)CC1CSCCC1(C2=CC(=CC=C2)Cl)O.Cl Cl- 1 2.464 1 1 7.00192732635303 9549632 CC1(OC(=C/C(=C\C=NC2=CC=C(C=C2)OC)/O1)C3=CC=CC=C3)C.Br Br- 1 3.531 1 3 7.63425938712442 9549631 C1=CC=C(C=C1)C(=O)C2C(C(=C(S2)N)C#N)C3=CC=CS3 1 3.042 2 1 -7.12232054563666 9549630 CC1(CC(N(C(=S)N1)C2=CC3=CC=CC=C3C=C2)(C)C4=C(C=C(C=C4)O)O)C 1 5.57 2 2 3.72623947174055 9549629 CCSC1=NN=C(O1)C(CC2=CC=CC=C2)N.Cl Cl- 1 1.975 3 1 0 -7.90757795682375 9549628 CNCCCC1=CC=CC=C1.Cl Cl- 1 2.145 1 0 -1.77678453727374e-002 9549627 COC1=CC=C(C=C1)CN2C(=NN=N2)CN3CCC4=CC=CC=C4C3.Cl Cl- 1 2.632 5 1 -20.1887028696067 9549626 C1CN(CCC1(C2=CN=CC=C2)O)C(=O)C3=CC(=CC=C3)F.Cl Cl- 1 1.171 2 2 0 -1.13425084043862 9549624 C1CCN(C1)C(C2=CC=C(C=C2)C#N)C3=NN=NN3CC4=CC=CC=C4.Cl Cl- 1 3.049 6 0 -18.1240422991423 9549623 C1CCC(C1)N2C(=NN=N2)C(C3=CC=CS3)N4CCN(CC4)CC5=CC=CO5.Cl Cl- 1 3.204 6 1 0 -17.9082420098526 9549622 CC1=CC(=CC=C1)CNC(C)COC.Br Br- 1 2.1 1 1 0.945488044377598 9549621 CN1C=CC=C1CNCCC2=CC=CC=C2.Cl Cl- 1 2.649 2 0 -1.06130971383817 9549620 COC1=CC=C(C=C1)NC2=NCC(=O)N2C3=CC=CC=C3F.Cl Cl- 1 2.648 3 2 -5.3075233000075e-002 9549619 C1CCCN(CC1)C(C2=CC=CC(=C2)C#N)C3=NN=NN3C4CCCC4.Cl Cl- 1 3.78 6 0 -23.0106178619747 9549618 CC1=NC2=CC=CC=C2C(=C1)NCCCOC.Cl Cl- 1 2.039 2 1 -2.04378277075626 9549617 COC(=O)C1=NN(N=C1C2=NN(N=C2C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4.Cl Cl- 1 3.926 6 4 0 -3.52781499521472 9549616 C#CC[N+]1(CCOCC1)CC#CC2=CC=CC=C2.[I-] I- 1 2.019 1 1 -2.726060895013 9549615 CCOC1=C(C=C(C=C1)C=O)CN2CCCCC2.Cl Cl- 1 2.912 1 2 -4.61529505288412 9549614 C1CC1N(CC2=CC=CC=N2)C(=O)C3=C(C=CC=C3F)F.Cl Cl- 1 2.792 2 1 -2.64100931735621 9549613 CC(=O)N(CCCN1CCOCC1)CC2=CC=NC=C2.Cl Cl- 1 -9.9e-002 3 2 0 -5.85196009613509 9549612 CCN(CC)CCN1C2=CC=CC=C2N=C1NCC3=C(C=CC(=C3)OC)OC.Cl Cl- 1 3.816 4 2 -4.85359823106756 9549611 CCN(CC)CC(=O)NCC1(CCOCC1)C2=CC=CC=C2.Cl Cl- 1 1.802 2 2 0 -21.1999783481576 9549610 CCN(CC)CCNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CC3=CC=CC=C3)O.Cl Cl- 1 3.594 3 3 -2.97992229634864 9549609 C1=CC=C(C=C1)CC(=O)O/N=C(/C2=CC=CC=N2)\N 1 1.699 3 2 0 -1.42873930151727 9549608 CC1=CC(=C(C=C1)C)OCC(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.472 3 3 1.24650922807329 9549606 C1=CC(=CN=C1)/C(=N/OC(=O)C2=CC=C(C=C2)Cl)/N 1 1.9 3 2 0 1.47831113972457 9549605 CC1=C(C(=CC=C1)OCC(=O)O/N=C(/C2=CC=CC=N2)\N)C 1 2.472 3 3 2.27642403360809 9549604 COC1=CC=CC=C1CNC(=O)CN2CCC(CC2)NC(=O)C3=CC=CC=C3F.Cl Cl- 1 1.981 3 3 0 -16.5800866908793 9549603 CN1CCC(CC1)OC(=O)C2=CC=C(C=C2)OC.Cl Cl- 1 1.779 1 3 0 -5.26230965050239 9549602 COC1=CC=CC(=C1)C(=O)OCCN2CCCCC2.Cl Cl- 1 2.724 1 3 -5.10732598270371 9549601 CC1=CC=C(C=C1)C(=O)NCCN2CCCC2.Cl Cl- 1 2.124 2 1 -6.44435096539737 9549600 CC1=CC(=CC=C1)OCC(=O)OC2CCN(CC2)C.Cl Cl- 1 2.117 1 3 -2.81334018247277 9549599 CC1=CC(=C(C=C1)NC2=NCC(=O)N2C3CCCC3)C.Cl Cl- 1 3.257 3 1 -3.93758568963008 9549598 CN1CCN(CC1)CCC(=O)OC2CC3CCC(C2)N3C.Cl Cl- 1 0.861 3 2 0 -3.32406324949344 9549597 CC1=CN=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3F.Cl Cl- 1 1.934 4 1 0 -1.02845011186837 9549596 CCN1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)OCC)OCC.Cl Cl- 1 1.927 3 3 0 -8.58160921499208 9549595 CC(C)(C)C1=NC2=C(C(=N1)NCC3=CC4=C(C=C3)OCO4)N=NN2CC5=CC=CC=C5Cl.Cl Cl- 1 5.038 6 2 0 -9.69832992377781 9549594 CCOC1=CC=C(C=C1)NC2=NCC(=O)N2CC3=CC=CS3.Cl Cl- 1 2.538 3 2 -1.80639501415515 9549593 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)CN4CCCCC4.Cl Cl- 1 4.727 4 1 2.27156202760459 9549592 C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCCO.Cl Cl- 1 2.158 4 1 3.95865579000184 9549591 COC1=CC=C(C=C1)NC2=NCC(=O)N2CC3=CC=CS3.Cl Cl- 1 2.189 3 2 -1.04017186244712 9549590 C1C(=O)N(C(=N1)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3.Cl Cl- 1 3.123 3 1 0.772057645657496 9549589 CCN1C2=CC=CC=C2N(C1=N)CC(C3=CC=CC=C3)O.Cl Cl- 1 2.58 3 1 -1.14960534239113 9549588 CC1=C(SC2=NC=NC(=C12)NCC3CCCO3)C.Cl Cl- 1 2.45 3 1 -4.70277788258732 9549587 C1CN(CCN1CC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC(=C3)C(F)(F)F.Cl Cl- 1 4.47 3 1 4.63402825439013 9549586 COCCN(C1=NN=C(S1)C2=CN=CC=C2)C(=O)COC3=CC=C(C=C3)Cl.Cl Cl- 1 2.437 4 3 0 -4.63607639505285 9549585 C1=CC=C(C(=C1)C(=O)O/N=C(/C2=CN=CC=C2)\N)Cl 1 1.9 3 2 0 9.55587679005048e-002 9549584 CCOC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2CCN4CCOCC4.Cl Cl- 1 3.171 4 2 -6.99215685125229 9549583 CC(CN1CCN(CC1)C)OC(=O)C2=CC=CC=C2.Cl Cl- 1 2.158 2 2 -3.19823257711073 9549581 COCCN1C(=NN=N1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 3.478 6 1 0 -11.9883139084242 9549578 CC(CNCC1=CC=CC2=CC=CC=C21)O.Cl Cl- 1 2.114 1 1 4.5147312497465 9549577 COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CN3CCCCC3.Cl Cl- 1 2.625 3 4 0 -13.0666212746176 9549575 CCCCC(C1=NN=NN1CCOC)N2CCN(CC2)C.Cl Cl- 1 1.153 6 1 0 -19.8163796108678 9549574 CCCCCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CO3.Br Br- 1 4.507 3 2 -4.30823498944439 9549573 CC(C)C(C1=NN=NN1C2CCCC2)N3CCCCC3.Cl Cl- 1 3.053 5 0 -19.7665249696568 9549572 CCC(C1=NN=NN1C2CCCC2)N3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 3.358 6 0 -19.7020364555208 9549571 CCCCC(C1=NN=NN1CCOC)N2CCN(CC2)CC.Cl Cl- 1 1.502 6 1 0 -21.2047362111115 9549570 CC1CCN(CC1)C(C2=CC=C(C=C2)C)C3=NN=NN3CCC4=CC=CC=C4.Cl Cl- 1 4.685 5 0 -17.5770044550714 9549569 C1CN(CCN1CCO)CC(COCC2=CC3=C(C=C2)OCO3)O.Cl Cl- 1 0.448 2 5 0 -3.90467641689118 9549568 CCNCCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)NC(=O)OCC.Cl Cl- 1 3.2 3 3 -1.05196164564571 9549567 C1CCC(C1)N2C(=NN=N2)C(C3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CO5.Cl Cl- 1 2.804 6 2 0 -25.572029929714 9549566 CC1=CC=C(C=C1)NC(=O)C(CC2=CC=CS2)/C(=N/O)/N 1 2.169 3 2 -5.86198989497404 9549565 C1CCN(CC1)CCN2C3=CC=CC=C3N=C2NCCO.Cl Cl- 1 1.945 4 1 0 -1.82691054383986 9549564 CN(CC(=O)NC1=CC=CC=C1C2=CC=CC=C2)C3CCCCC3.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 4.333 2 1 -3.43860344284369 9549563 CC[N+](C)(CC)CCCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[I-] I- 1 2.763 1 3 -5.89417977274226 9549562 CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC(=CC(=C2)OC)OC.Cl Cl- 1 1.38 3 5 0 -8.75380897342582 9549561 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CO3.Cl Cl- 1 2.937 2 3 0.768717386343518 9549559 CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCN(CC3)C.Cl Cl- 1 2.66 2 3 4.85248566072712 9549553 COC(=O)C1=C(C2(C=CC1O2)C(CC=C)NC3=CC=CC=C3)C(=O)OC.Cl Cl- 1 2.592 1 5 -10.3896726318333 9549552 C1CN2C=C(C=C2C3=CC=CC=C31)C4=CC=CC=C4.Br Br- 1 4.532 1 0 3.96363401149497 9549551 C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CN=CC=C3.Cl Cl- 1 2.645 3 1 -8.69934556156644 9549550 C1COCCN1CC#CCOC(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 3.662 1 2 -7.04555243849495 9549549 C1CCC(CC1)C2=CC3=C(C=C2)N4CCCNC5C4=C3CCC5.Cl Cl- 1 5.139 2 0 6.88994620774304 9549548 CC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C/C=C/C3=CC=CC=C3.Cl Cl- 1 3.699 3 1 2.23199014462655 9549547 COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C(=O)CC3=CC=CC=C3.Cl Cl- 1 3.551 2 2 -6.19706398165001 9549546 CCOCC1=CN(C(=NC1=N)C)CC(=O)C2=CC=C(C=C2)Cl.Br Br- 1 1.546 3 2 0 -7.41160424838349 9549545 C1CN(CCN1CC2=CC=CC=C2F)C(=O)C3=CC=CC=C3F.Cl Cl- 1 3.195 2 1 -3.69733701178698 9549544 CCOCC1=CN(C(=NC1=N)C)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Br Br- 1 0.776 4 4 0 -11.3280007263275 9549543 CN(C)CCCNC1CS(=O)(=O)CC1O.Cl Cl- 1 -1.081 2 3 0 -6.13310172721717 9549542 CC[N+](CC)(CC)CCCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[Cl-] Cl- 1 3.112 1 3 -3.39258100471956 9549540 CC(C)CCOC1=CC=C(C=C1)C(=O)C[N+]2(CCOCC2)C.[I-] I- 1 1.473 1 3 0 -8.14651445364554 9549539 CC1=CC(=NN1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)C.[Cl-] Cl- 1 3.745 3 1 -1.56731717240485 9549538 CCN(CC)C(C1=CC=C(C=C1)F)C2=NN=NN2CC3CCCO3.Cl Cl- 1 2.388 5 1 -17.8348736299151 9549535 CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCN(CC2)CCO)O.Cl Cl- 1 2.539 2 3 -0.956070281047069 9549534 COC1=C(C=C(C=C1)CCNCC2=CC=CC=C2F)OC.Cl Cl- 1 3.445 1 2 -1.92031573996041 9549532 CCOC(=O)C1=CC2=C(CC(OC2)(C)C)N=C1N.Cl Cl- 1 1.279 2 3 0 -12.4541446315019 9549531 CC1=CC2=NC(=C(N2C=C1)C3=CSC(=N3)NCC4=CC=CC=C4)C.Cl Cl- 1 3.631 4 0 3.14833186373333 9549529 CC1CC2(CCCCC2)NC3=C1C4=CC=CC=C4C=C3.Cl Cl- 1 5.044 1 0 -0.803865165430493 9549528 CC1(OC(=C/C(=C/C=NC2=CC=CC=C2)/O1)C3=CC=CC=C3)C.Br Br- 1 3.548 1 2 7.05809066129564 9549527 CCCCCOC(=O)CC(C(=O)OCCCCC)N1CCCCC1.Cl Cl- 1 4.604 1 4 -10.7734603942612 9549525 CC1C(N(CCC1(C2=CC=CC=C2)OC(=O)C)C)C.Cl Cl- 1 2.397 1 2 -1.53129453853457 9549524 CC1(CN2C(=O)C3=CC=CC=C3N=C2S1)CBr.Br Br- 1 3.098 2 1 -5.94848558701736 9549522 C1CN(CC(C2=CC=CC=C21)(C3=CC=CC=C3)O)CCC(=O)C4=CC5=C(C=C4)OCCO5.Cl Cl- 1 4.197 1 4 -2.98850575887727 9549521 CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CCN(CC4)CCO.Cl Cl- 1 2.805 4 4 0 0.146367999718277 9549520 CC1CC2(CCCCC2)NC3=C1C=CC4=CC=CC=C43.Cl Cl- 1 5.044 1 0 1.53986251901017 9549518 C1COCCN1CC23CC4CC(C2)CC(C4)C3.Cl Cl- 1 2.482 1 1 1.3868708308329 9549517 CCOC(=O)CSC1=NC2=C(N1)C=C(C=C2)C.Cl Cl- 1 2.971 2 2 -6.69372322849116 9549516 CCCN1CC(C(CC1C)(C2=CC=CC=C2)OC(=O)C)C.Cl Cl- 1 3.27 1 2 -4.12782118805212 9549513 CC1=CC2=NSN=C2C(=C1)C[N+]3=CC=CC=C3.[Cl-] Cl- 1 3.632 3 0 3.65405603096099 9549512 C1CCCC(CC1)N2CCNCC2.Cl Cl- 1 2.055 2 0 -2.16690899934718 9549510 CC1=CS(=O)(=O)CC1SC2=NC3=CC=CC=C3N2.Br Br- 1 2.255 2 2 0.814629438357858 9549509 C1C(OC2=CC=CC=C2O1)C(=O)NC3=C(C=CC=N3)Cl.Cl Cl- 1 2.44 2 3 -2.92184182983097 9549507 CN1CCN(CC1)CCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl Cl- 1 4.175 3 1 8.14789785921133 9549505 CC1CN(CC(O1)C)CCC(=O)NC2=C(C=C(C=C2)OC)OC.Cl Cl- 1 1.614 2 4 0 -13.5332608764665 9549504 CC1=CC=CC=C1N=C/C=C\2/C=C(OC(O2)(C)C)C3=CC=CC=C3.Br Br- 1 4.034 1 2 6.12435110553879 9549503 CC1CCCN(C1)CCC(=O)NC2=CC=C(C=C2)Br.Cl Cl- 1 3.189 2 1 -3.8314209591788 9549502 CC1CCCN(C1)CC(=O)N2CCCC3=CC=CC=C32.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 2.929 2 1 -8.14638770318034 9549501 CCN(CC)CC#CCC(C1CCCC1)(C2=CC=CC=C2)O.Cl Cl- 1 4.59 1 1 -2.28581081543028 9549498 CC(C)C(C#CCN1CCCCC1)(C2=CC=CC=C2)O.Cl Cl- 1 3.948 1 1 1.25180905464461 9549497 CCN(CC)CC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN(CC)CC)C=C1.O.Cl Cl- H2O 1 3.861 4 2 -8.70130678946514 9549495 CC1CN(C(CC1(C2=CC=CC=C2)O)(C)C)C.Cl Cl- 1 2.223 1 1 0.426324241888234 9549494 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(COC4=CC=CC=C4)O.Cl Cl- 1 4.35 3 2 -0.311770692264315 9549493 C[N+]1(CCOCC1)CC(=O)C2=CC=C(C=C2)OC.[I-] I- 1 -0.108 1 3 0 -5.70882307851705 9549492 C[N+]12CCCCC1C(CCC2)COC(=O)C3=CC4=C(C=C3)OCO4.[I-] I- 1 1.739 1 4 0 -8.29268649415625 9549491 CCS(=O)(=O)CCSC(=N)N.Cl Cl- 1 0.37 2 2 0 -5.22832287218871 9549490 C1=CC(=CC=C1N)NC2=NC(=CS2)C3=CC=NC=C3.Br Br- 1 1.789 4 0 0 8.92855824149171 9549489 C1CN(CCN1C2=CC=CC=C2)C3=C(C=CC=N3)C(=O)NC4=CC=CC(=C4)C(F)(F)F.Cl Cl- 1 4.737 4 1 4.01734658931633 9549488 CCC(C)C(C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N)NC(=O)C(CC(C)C)N.Cl Cl- 1 1.82 4 5 0 -28.4966426309128 9549487 CC1(CC2=CC=CC=C2/C(=C/C(=O)N3CCCCCC3)/N1)C.Cl Cl- 1 2.977 2 1 -8.8886709216518 9549486 CCCC1CC(OC1=O)(C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3.Br Br- 1 3.944 3 3 -5.79903306434843 9549485 CC1=CC=C(O1)C=NN2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 2.645 3 1 2.96026627241851 9549483 CC1=CC(=CC=C1)N2CCC3=C(C4=C(C=CC(=C4)Br)N=C32)N.Cl Cl- 1 4.236 3 0 8.78154721086556 9549480 C1CCC2=C(C1)C(=N)C3=C(N2CC4=CC(=CC=C4)Cl)CCC3.Cl Cl- 1 4.868 2 0 -3.15842008916055 9549476 CCN(CC)CCCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC(C)C.Cl Cl- 1 4.647 1 3 -2.93572828633415 9549474 CCCCCCCCCCN1C2=C(CCC2)C(=N)C3=C1CCC3.Br Br- 1 6.23 2 0 -7.19357293349857 9549473 CNCC1(CCCC1)C2=CC=CC=C2.Cl Cl- 1 2.822 1 0 -8.49973457046577 9549472 CC\1(C2=CC=CC=C2N(/C1=C\C=C\C3=[N+](C4=C(C3(C)C)C5=CC=CC=C5C=C4)C)C)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 6.619 2 0 20.7526605505978 9549471 COC1=C(C=C(C=C1)C(CC=C)NCC2=CC=CO2)OC.Cl Cl- 1 3.066 1 3 -6.60117244977883 9549469 CC(CC=C)(C1=CC=CO1)NCC2=CC=CC=C2.Cl Cl- 1 3.518 1 1 -7.83976811676743 9549468 CC(=O)C1=CC(=C(C=C1)OC)CN(C)C.Cl Cl- 1 1.627 1 2 0 -2.89945577669793 9549467 C1CCN(C1)CCC(=O)NC2=CC=CC=C2.Cl Cl- 1 1.665 2 1 0 -3.22673796039649 9549465 C1=CC2=C(C=C1Cl)NC(=N2)NCCCl.Cl Cl- 1 2.553 3 0 1.89407119510633 9549464 CCCCC1CC(OC1=O)CSC(=N)N.Br Br- 1 2.378 2 2 -5.0545294183602 9549462 CC(C)CCC1CC(OC1=O)CSC(=N)N.Br Br- 1 2.63 2 2 -5.38155409679089 9549460 CN1CCC2=C(C1)C3=CC=CC=C3N2C.Cl Cl- 1 2.482 2 0 1.19476198225875 9549459 CC1=NC2=CC=CC=C2C(=C1)NCCO.Cl Cl- 1 1.568 2 1 0 2.09722055143936 9549457 C1C(=O)N(C(=N1)NC2=CC=CC=C2)CC3=CC=CS3.Cl Cl- 1 2.206 3 1 -0.881254018201111 9549456 COC1=CC(=CC(=C1OC)OC)NC2=NN=C(C=C2)C3=CC=CC=C3F.Cl Cl- 1 3.767 3 3 -1.46080851006945 9549455 CN1CCC(CC1)OC(=O)COC2=CC=CC=C2.Cl Cl- 1 1.631 1 3 0 -4.39341698358037 9549454 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=O)COC4=CC=CC=C4)C)C.Cl Cl- 1 3.117 4 2 -8.45015656245146 9549453 C1COCCN1C2=NC(=CS2)C3=CC=CC=C3.Cl Cl- 1 2.004 2 1 1.59723034697855 9549452 CC1=CC=CC=C1/C(=N/OC(=O)/C=C/C2=CC=CC=C2)/N 1 3.341 2 2 -1.64991875165992 9549451 CCCCCCN1C2=CC=CC=C2N3C1=NCC3.Cl Cl- 1 3.424 3 0 -6.17919318699668 9549450 CN(C)CC#CCC(C1CCCC1)(C2=CC=CC=C2)O.Cl Cl- 1 3.893 1 1 -1.21874977922793 9549449 CN1CCC(CC1)N2CCCC(C2)C(=O)O.Cl Cl- 1 -2.367 2 2 0 3.85568417991258 9549448 CC(C)C1=NC=CN1CCC(=O)O.Cl Cl- 1 1.043 2 2 0 -9.75066983171788 9549446 C1CCN(CC1)C(=O)C2C/C(=C\3/C=CC=CC3=O)/NO2 1 0.383 2 3 0 -12.7681156825248 9549445 COC1=C/C(=C\2/NC3=CC=CC=C3S2)/C=CC1=O 1 2.757 1 2 -1.38937522788527 9549444 CC1=CC(=C(C=C1)N/C(=N/C2=NC(=O)C3=C(N2)CCCC3)/N)C 1 3.2 5 1 -15.0342374213774 9549443 COC1=CC=C(C=C1)N/C(=N/C2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)Cl)/N 1 3.663 5 2 0 -6.03661196240294 9549440 CCC1=NC2=CC=CC=C2N1CCC(=O)O.Cl Cl- 1 2.208 2 2 -4.05359678811927 9549439 CC(C)C1=C(N=C(NC1=O)SCCN2CCOCC2)O.Cl Cl- 1 1.874 3 3 0 -13.9398704049115 9549438 C1/C(=C\2/C=C(C=CC2=O)Cl)/NC3=CC=CC=C3N=C1C4=CC=CO4 1 3.539 2 2 -6.82565018328957 9549437 CCC1=NC2=CC=CC=C2N1CC(C)C(=O)O.Cl Cl- 1 2.671 2 2 -3.25348286254981 9549436 C1=CC2=NSN=C2C=C1CC(C(=O)O)N.Cl Cl- 1 -1.477 3 2 0 4.34685511486075e-002 9549435 CCC(C)(C)N1C(=NN=N1)C(C2=CC(=C(C=C2)O)OC)N3CCC4=CC=CC=C4C3.Cl Cl- 1 3.98 5 2 0 -10.0288393171465 9549434 CC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C(C=C3)O)C(=O)OC.Cl Cl- 1 3.632 2 3 6.65437365060168 9549433 CCOC1=C/C(=C\2/C=C(NC(=C2C#N)N)C3=CC=C(C=C3)C)/C=CC1=O 1 2.252 3 2 -4.39525757637902 9549432 CCC1=CC2=C(N=C(N=C2S1)C)NCC3CCCO3.Cl Cl- 1 2.586 3 1 -7.63306959556961 9549429 CC(C)(C)N1C(=NN=N1)C(C2=CN=CC=C2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F.Cl Cl- 1 3.478 7 0 0 -5.43593579002515 9549428 COCCN1C(=NN=N1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCOCC3.Cl Cl- 1 1.625 5 2 0 -15.7780823143578 9549427 CCOC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CO4)/O 1 2.429 2 5 0 -10.775620990572 9549423 CC1CCN(CC1)C(C2=CC=CS2)C3=NN=NN3CC4=CC=CC=C4.Cl Cl- 1 3.832 5 0 -17.9195803109936 9549419 CC(C)(C)N1C(=NN=N1)CN2CCSCC2.Cl Cl- 1 0.77 5 0 0 -8.7255513480404 9549418 C1CCC(C1)N2C(=NN=N2)CN(CC3=CC=CC=C3Cl)CC4=CC=CO4.Cl Cl- 1 3.822 5 1 -18.4510678462682 9549417 CCOC1=CC=C(C=C1)N=C2N(CCCS2)C.I I- 1 2.831 2 1 -6.2686291531287 9549416 C1=COC(=C1)CNCC2=CC=CS2.Cl Cl- 1 1.872 1 1 0 -1.26170760228523 9549415 CCOC1=CC2=CC3=C(N=C2C=C1)SC(=NC)N(C3)CCOC.Cl Cl- 1 3.298 3 2 -4.09575735311642 9549414 C1CSCCN1C(C2=CC=C(C=C2)Cl)C3=NN=NN3CC4=CC=C(C=C4)F.Cl Cl- 1 4.011 5 0 -11.1991984416952 9549413 CC1CCCN(C1)C(C2=CC=CS2)C3=NN=NN3CC4=CC=CC=C4.Cl Cl- 1 3.899 5 0 -15.4806516796303 9549412 CN1CCCSC1=NC2=CC=C(C=C2)OC.I I- 1 2.482 2 1 -5.50240600142067 9549410 CCCCC1=C(C(=N)C2=CC=CC=C2N1C)CCC.I I- 1 4.929 2 0 -0.240636746316692 9549407 CC1=C(C2=CC=CC=C2C=C1)NC(=O)CNC3CCCCC3.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 3.673 2 1 -2.24195731212593 9549406 CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)C)N3CCC(CC3)C.Cl Cl- 1 4.236 5 0 -13.9918680071311 9549403 CC1CCN(CC1)C(C2=CC=C(C=C2)C)C3=NN=NN3C(C)(C)C.Cl Cl- 1 3.712 5 0 -13.2279296467478 9549402 COC1=CC=CC=C1C(C2=NN=NN2CC3=CC=CC=C3)N4CCC(CC4)C(=O)N.Cl Cl- 1 2.167 6 2 0 -19.6135200122318 9549399 CCCN(CCC)CC(=O)NCC1(CCOCC1)C2=CC=CC=C2.Cl Cl- 1 2.85 2 2 -21.8267781488431 9549398 CC(C)C(C1=NN=NN1CC2=CC3=C(C=C2)OCO3)N4CCN(CC4)C.Cl Cl- 1 2.043 6 2 0 -14.3517095709282 9549397 CCN1CCN(CC1)C(C2=NN=NN2CC3=CC4=C(C=C3)OCO4)C(C)C.Cl Cl- 1 2.392 6 2 0 -15.9583654743791 9549395 CCN1CCN(CC1)C(C2=CC=CC=C2)C3=NN=NN3CC4=CC=CC=C4.Cl Cl- 1 3.015 6 0 -17.4583044323687 9549394 C1CN(CCC1NC(=O)C23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5.Cl Cl- 1 3.623 2 1 -2.48753646499832 9549393 CCOC(=O)C1CCCN(C1)CCC(=O)NC2=CC=C(C=C2)C.Cl Cl- 1 2.502 2 3 -6.07191954003789 9549392 C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=N3)N5CCOCC5.Cl Cl- 1 2.761 5 1 6.4785091771456 9549391 COCCN1C(=NN=N1)C(C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4.Cl Cl- 1 2.624 6 1 0 -16.5505219552563 9549390 CC(C)N(C)CCOC(=O)C1=CC2=C(C=C1)OCCO2.Cl Cl- 1 2.336 1 4 -10.1165887285331 9549389 CC(C)(C)N(C(C1=CC=NC=C1)C(=O)NC2CCCC2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F.Cl Cl- 1 2.937 7 2 0 -7.5106741478333 9549388 CCC(C)(C)C1(CC(OC1=O)CSC2=NC3=CC=CC=C3N2)C(=O)OCC.Cl Cl- 1 4.52 2 4 -6.08029822801072 9549387 CCOC(=O)C1=C(SC2=C1C3CCN2CC3)NC(=O)C.Cl Cl- 1 1.598 2 3 0 -8.11124848076077 9549385 COC1=CC=C(C=C1)N2CCN(CC2)C(C3=C(C=CC(=C3)OC)OC)C4=NN=NN4CC5CCCO5.Cl Cl- 1 3.065 6 4 0 -19.7266701089 9549384 CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2OC)N3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 3.581 6 1 0 -10.5263380344838 9549383 CC1=NC=C(C2=C1OC(OC2)(C)C)CCl.Cl Cl- 1 1.267 1 2 0 -2.61832450298118 9549382 COC1=CC=CC=C1C(C2=NN=NN2CC3=CC=CC=C3)N4CCN(CC4)C5CCCC5.Cl Cl- 1 4.052 6 1 0 -15.7075312934523 9549381 C1COCCN1C2=NC(=NC3=CC=CC=C32)N4CCOCC4.Cl Cl- 1 0.908 4 2 0 3.19866766314775 9549380 C#CC[N+]1(CCOCC1)CC#CC2=CC=C(C=C2)C#CC[N+]3(CCOCC3)CC#C.[Br-] Br- 1 2.208 2 2 -3.01840201080336 9549378 C1CCC(C1)N2C(=NN=N2)C(C3=CC=CC=C3F)N4CCN(CC4)CC5=CC=CC=C5.Cl Cl- 1 4.274 6 0 -17.3468297218772 9549377 CC1=CC2=NC(=C(N2C=C1)NCC3CCCO3)C4=CC(=C(C=C4)OC)OC.Cl Cl- 1 3.677 3 3 -8.62339995317636 9549375 CCCC(C1=NN=NN1CCOC)N2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 2.281 6 1 0 -19.0253052425608 9549374 CCCCC(C1=NN=NN1CCOC)N2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 2.737 6 1 0 -18.665014268543 9549373 CCCCC(C1=NN=NN1CC2CCCO2)N3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 3.227 6 1 0 -21.889730396878 9549372 CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C.Cl Cl- 1 2.583 4 0 3.26299240173548 9549370 COC1=C(C=C(C=C1)C(C2=NN=NN2CC3=CC=CC=C3)N4CCN(CC4)C5=NC6=CC=CC=C6S5)OC.Cl Cl- 1 4.311 7 2 0 -14.3591848328072 9549369 COC1=CC=CC=C1N2CCN(CC2)C(C3=CC=CC=C3)C4=NN=NN4CCC5=CC=CC=C5.Cl Cl- 1 4.643 6 1 0 -16.0475358628918 9549368 COC1=CC=CC=C1C(C2=NN=NN2CC3CCCO3)N4CCC(CC4)C(=O)N.Cl Cl- 1 0.942 6 3 0 -24.6902203367312 9549367 C1CCN(C1)CCC(=O)NC2=CC=C(C=C2)Br.Cl Cl- 1 2.414 2 1 -2.70474487653776 9549366 CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3.Cl Cl- 1 0.987 2 3 0 -5.49457771758093 9549365 CCCN1C2=C(CCCC2)C(=O)C(=C1O)C(=O)NCCCN(CC)CC.Cl Cl- 1 2.832 3 3 -14.3386962818059 9549363 CCOC(=O)C1=C(NC(=NC1C2=CC=C(C=C2)OC)SC)C.I I- 1 2.863 2 3 -14.0008930181285 9549362 CCCCCOC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)N3CCOCC3.Cl Cl- 1 4.751 1 3 -7.13171940450265 9549361 C1CCN(CC1)CCN2C=NC3=CC=CC=C32.Br Br- 1 2.607 3 0 -3.26868727022524 9549360 C1CCC2(CC1)N=C(N=C(N2C3=CC=C(C=C3)F)N)N.Cl Cl- 1 1.909 5 0 0 7.08581551349003 9549358 CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SC)C.I I- 1 2.879 2 2 -14.1113234418797 9549357 CC1CCCN(C1)CCC(=O)NC2=CC3=C(CCC3)C=C2.Cl Cl- 1 3.498 2 1 -7.86502362283921 9549356 CC1=CC=C(O1)C(CC=C)NCC2=CC=CC=C2.Cl Cl- 1 3.351 1 1 0.2141838374886 9549355 COC1=CC=C(C=C1)C2=C/C(=C/3\C(=C4C=COC4=C(C3=O)OC)OC)/NN2 1 4.4e-002 2 5 0 -1.85909223026153 9549354 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)C4=C(N=C(S4)NC(=O)C5=CC=CC=C5)C.Br Br- 1 3.669 6 4 0 -10.3297000047389 9549352 CC1=NC2=CC=CC=C2N1CCC(=O)O.Cl Cl- 1 1.541 2 2 0 -5.6110107627635 9549351 C1=CC=C2C(=C1)C=CC=C2N/N=C/3\C=CC(=O)C(=C3)C=NNC(=O)C4=CC=C(C=C4)N 1 3.415 5 2 0 -5.05002978225995 9549350 CCCCCCC1=CC2=C/C(=C\3/NN=C(O3)C4=CC=CC=C4OC)/C(=O)OC2=CC1=O 1 4.788 2 5 0 -9.32790470685456 9549349 CCOC1=C/C(=C/C(=C\2/C(=C(NN2)N)C#N)/C#N)/C=CC1=O 1 -0.437 5 2 0 -4.69910889888852 9549348 C1=CSC(=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)CN(CCO)CCO.Cl Cl- 1 2.244 1 5 5.5614536098381 9549347 CCN(CC)CC1=C(C2=C(C=C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)OCC)O.Cl Cl- 1 4.334 2 4 -4.63813159237506 9549346 CCCN1C2=CC=CC=C2N(C1=N)CC(=O)O.Br Br- 1 1.513 3 2 0 -7.18188262977845 9549343 CCCCCCC1=CC2=C/C(=C\3/NN=C(O3)C4=CC(=C(C(=C4)OC)OC)OC)/C(=O)OC2=CC1=O 1 4.755 2 7 0 -10.9697753262041 9549342 CCCCCCC1=CC2=C/C(=C\3/NN=C(O3)C4=CC(=CC=C4)OC)/C(=O)OC2=CC1=O 1 4.788 2 5 0 -6.49199015157468 9549341 CC(C)(C)C1=C(C(=CC(=N1)CN2CCOCC2)CN3CCOCC3)O.Cl Cl- 1 2.004 3 3 -0.861537986039073 9549340 COC1=CC=C(C=C1)C2=C/C(=C\3/C=C(C=CC3=O)OC)/NN2 1 1.02 2 3 0 -0.857115762429485 9549339 CC/C(=C\1/C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)/NCC4=CC=CC=C4 1 4.856 4 1 -4.97697839602327 9549336 CCN(CC)CC1=C(C=CC(=C1)NC2=NS(=O)(=O)C3=CC=CC=C32)OC(=O)C(C)C.Cl Cl- 1 3.864 3 4 0 -7.95766940061021 9549333 CCCC1=C(N=C(NC1=O)SCCN(CC)CC)O.Cl Cl- 1 3.088 3 2 -12.5465260960652 9549174 CC[C@@H]1C=C(C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)C 1 4.766 1 12 0 -5.6648604232019 9549172 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)CO)O.O H2O 1 -1.115 5 3 0 -5.91193366967629 9549170 C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2N)C(=O)N.O H2O 1 -2.101 5 5 0 -13.0140690937203 9549169 CC(=O)O[C@H]1[C@@H]2[C@]([C@H](CCC2(C)C)O)([C@]3(C(=O)C[C@](O[C@@]3([C@H]1O)C)(C)C=C)O)C 1 0.837 0 7 0 -8.87114284615061 9549167 C[C@@H]1[C@H]([C@]2([C@H]3C4[C@]1([C@@H]5C=C(C(=O)[C@]5([C@@H]([C@@]6([C@H]4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)/C=C/C=C/C8=CC=CC=C8 1 3.945 0 10 0 0.754118600954045 9549166 C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)Cl 1 3.617 3 3 -10.0345745089257 9549165 CC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=C(C4=CC=CC=C4S3)Cl 1 4.638 1 3 -6.43270862769273 9549164 CCNCCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl Cl- 1 3.197 1 1 -5.2951447551111 9549163 CC(C1=CC=CC=N1)N(CCCOC)C(=O)NC2=CC(=CC=C2)Cl 1 2.88 3 2 -1.98921691804662 9549162 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(=O)NC4CCCCC4)C 1 3.925 3 3 -11.7348861349719 9549161 CN(C)C1=CC=[N+](C=C1)CC2=C(C=CC=C2Cl)Cl.[Cl-] Cl- 1 4.509 2 0 -1.061654885097 9549160 CC(=O)O[C@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)N2C=CC3=C2C=CC(=C3)[N+](=O)[O-] 1 1.716 2 9 0 -9.89783436148521 9549159 COC(=O)C12CC3CC(C1)CC(C3)(C2)N4C=NC(=N4)Cl 1 2.369 3 2 0.108485059325252 9549158 CSCCC(C(=O)NC1CC1)NC(=O)C2=CC=CC=C2 1 1.399 2 2 0 -21.9349220472754 9549157 C/C(=C(\C(=O)OC)/NC(=O)C)/C1=CC=C(C=C1)Cl 1 2.088 1 3 -1.37276573171241 9549156 CCC1=C(C2=CC3=NC(=C(C3=C(N2C1C)C)C)C(=O)OCC)C.Cl Cl- 1 4.819 2 2 -3.92692524040788 9549154 CC(=O)O[C@@]1(CCN([C@@H]2[C@@H]1CCCC2)C)C3=CC=CC=C3.Cl Cl- 1 3.006 1 2 -1.18408300951205 9549153 CN1C=CC=C1CNCCC2=CC=C(C=C2)F.Cl Cl- 1 2.855 2 0 0.562776442931458 9549152 CC1(C2CCC1(C(=O)N(C2=O)CSC(=S)NN=CC3=CC=C(C=C3)N(C)C)C)C 1 4.503 4 2 -11.1359842648034 9549151 C1=CC=C(C=C1)CC(=O)NN=CC2=CC=C(C=C2)OC(=O)/C=C\C3=CC=CO3 1 4.013 2 4 -9.82438802622229 9549150 CC1=CC2=C(N=CN=C2S1)NCC(C)O 1 1.443 3 1 0 4.76342060717405 9549149 CC1=CC(=C(C(=C1)C)NC2=NCCCS2)C.Cl Cl- 1 3.751 2 0 -6.68423002760194 9549147 COC1=CC=C(C=C1)/C=C/2\C(=NO)C3CCN2CC3.Cl Cl- 1 2.156 2 2 1.6491339103537 9549145 CC(C)N(CCN1C2=C(C=C(C=C2)OC)S[C@H]([C@@H](C1=O)OC(=O)C)C3=CC=C(C=C3)OC)C(C)C.Cl Cl- 1 4.529 2 5 0 -5.16043814817625 9549143 CCCNCC1=CC(=C(C=C1Cl)OCCC)OC.Cl Cl- 1 3.744 1 2 -2.10087273483355 9549142 CC(C)CNCC1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC=CC=C2)OC.Cl Cl- 1 3.911 2 3 -9.91461061388859 9549141 C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)C(=O)C4=CC=CC=C43 1 4.326 0 2 6.54383548995096 9549140 CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2CC=C)C(C)NC(=O)C3=CC=CC=C3Cl 1 3.149 6 2 0 -25.1127177525357 9549139 CC1=CC=C(C=C1)/C=C\C2C(C(C2(OC)OC)(OC)OC)(C#N)C#N 1 2.029 2 4 0.272534061115607 9549138 CC1=CC(=O)C(=CC1(C)C(Cl)Cl)C 1 3.176 0 1 -1.03322019379592 9549137 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)N(CC4=CC=CO4)CC5=CC=CO5.Cl Cl- 1 3.595 3 3 4.42398690935467 9549136 CN=C1C2=CC3=C(N2CCN1C)C=CC(=C3)OC.Cl Cl- 1 2.097 3 1 2.83758505873734 9549135 CCN1C(=C(C=N1)/C=C\2/CC3C4CC=C5CC(CCC5(C4CCC3(C2=O)C)C)O)C 1 4.394 2 2 -13.1854100913048 9549134 CC1=C(C=NN1C)/C=C\2/CC3C4CC=C5CC(CCC5(C4CCC3(C2=O)C)C)O 1 4.045 2 2 -11.9217110524798 9549133 CCN1C=C(C(=N1)C)/C=C\2/CC3C4CC=C5CC(CCC5(C4CCC3(C2=O)C)C)O 1 4.531 2 2 -13.7626300430018 9549132 CCOC(=O)C(CC(=O)NC1=C(C=C(C=C1)Cl)Cl)(C(F)(F)F)O 1 3.016 1 4 -5.84395790344038 9549131 CC1=NN(C=C1/C=C\2/CC3C4CC=C5CC(CCC5(C4CCC3(C2=O)C)C)O)C 1 4.182 2 2 -10.7349333911252 9549130 CC1=C(C(=NN1C)C)/C=C\2/CC3C4CC=C5CC(CCC5(C4CCC3(C2=O)C)C)O 1 4.327 2 2 -11.8425402245923 9549129 COC1=CC(=C(C(=C1)OC)C2=NOC(C2)C(=O)OC)OC 1 1.403 1 6 0 -7.82163315967721 9549128 C1CSC2=[N+]1C(=CS2)C3=CC=C(C=C3)F.[Br-] Br- 1 3.636 1 0 1.49762320279124 9549127 CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=CO3 1 3.302 1 2 -7.1991138529297 9549126 CC(C1=NN=C(N1CC=C)SCC(=O)NCCC2=CC=CC=C2)NC(=O)C3=CC=CS3 1 3.487 5 2 0 -29.2045160873745 9549125 C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)N 1 3.438 4 0 -6.9042053864073 9549124 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(=O)NC4CCCCC4 1 3.438 3 3 -11.8565731995126 9549123 C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 2.952 3 3 -12.2862893916672 9549122 CC1=CC=C(C=C1)[C@H]2N(N=C(S2)C)/C(=N/C3=NN=C(S3)C)/NC4=CC=C(C=C4)C(C)(C)C 1 5.847 6 0 -3.38407064062223 9549121 CC1=CC=C(C=C1)[C@H]2N(N=C(S2)C)/C(=N/C3=NN=C(S3)C)/NC4=CC=CC=C4 1 4.447 6 0 -6.11885892810689 9549120 CC1=CC=C(C=C1)[C@H]2N(N=C(S2)C)/C(=N/C3=NN=C(S3)C)/NC4=CC=C(C=C4)C 1 4.933 6 0 -6.78852373195109 9549119 CC1=NN=C(S1)/N=C(\NC2=CC=CC=C2)/N3[C@@H](SC(=N3)C)C4=CC=CC5=CC=CC=C54 1 4.223 6 0 -4.89878205222436 9549118 COC1=CC=C(C=C1)C2=CSC(=NC3=CC=C(C=C3)OC)N2CCO.Br Br- 1 3.015 2 3 1.18772502659537 9549117 CCOC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)OC)CCO.Br Br- 1 3.364 2 3 0.689578036761202 9549115 CCC(CO)NCC1=CC=C(C=C1)OC2CCCC2.Cl Cl- 1 3.115 1 2 0.673451309947495 9549114 CCNCC1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC=CC=C2)OC.Cl Cl- 1 3.068 2 3 -7.93089437959378 9549113 CCOC1=CC=CC=C1CNCCO.Cl Cl- 1 1.16 1 2 0 0.154027674230622 9549112 CC1=CC=CC(=N1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F 1 4.002 3 1 -8.40491456304995 9549111 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=CC=N3)C4=CC=CC=C4F 1 3.719 3 1 -7.17616414082013 9549110 CCCCCCCCCN1C2=C(CCC2)C(=N)C3=C1CCC3.Br Br- 1 5.774 2 0 -7.19357293349857 9549109 CC1=CC(=C(C=C1)N=C2CCCCCN2C)C#N.Cl Cl- 1 2.949 3 0 -1.69092641224552 9549108 C1N(C2C(O1)C3=CC=CC4=C3C2=CC=C4)C5=CC=C(C=C5)Cl 1 4.629 1 1 1.78354822007523 9549103 C1CNC(=S)C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3Cl 1 5.064 1 0 -5.43911813732159 9549102 C1CN(CCN1CCO)CC(=O)NC2=CC=CC=C2.Cl Cl- 1 0.374 3 2 0 -2.60099039729923 9549101 C[N+](C)(C)CC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31.[I-] I- 1 3.111 1 0 -3.19439210721802 9549100 COC1=CC=CC=C1NC(=O)CC(C(=O)OC)(C(F)(F)F)O 1 1.322 1 5 0 -10.6075942826071 9549099 CN1CCC(CC1)C2(C3=C(SCC4=CC=CC=C42)SC=C3)O 1 3.464 1 1 1.42660597273396 9549098 CC(=O)O[C@H]1CC[C@]2(C(C1)CCC3C2CC[C@]4(C3CCC(=O)O4)C)C 1 3.679 0 4 -17.2715475127679 9549097 CC1CCN(CC1)C2=NC=NC3=CC=CC=C32.Cl Cl- 1 2.638 3 0 4.52107072635774 9549096 CC1=CC(=CC(=C1)OCC2=NC3=NC=C(C=C3N2)Br)C.Cl Cl- 1 3.871 3 1 -1.07541382977463 9549095 CCSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(O3)C 1 4.567 2 1 -6.13783542194147 9549094 CC1=CC=CC(=C1)C(=O)NN/C(=C\2/C(=O)C=C(OC2=O)C)/C 1 1.44 2 4 0 -8.3031251088086 9549093 CC1(C2CCC1(C(=O)N(C2=O)CSC(=S)NN=CC3=CC=CC=C3Cl)C)C 1 5.006 3 2 -6.71614507579601 9549092 CCN(CC)CC(=O)N1C2=CC=CC=C2SC3=C1C(=C(S3)C)C(=O)OCC.Cl Cl- 1 3.861 2 3 -3.87674440656353 9549091 CCCCCOC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)N(C4=O)C 1 2.139 2 4 -0.315863934356516 9549090 CCOC(=O)N1CC=C2C(C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3 1 0.953 5 2 0 -3.47282635381422 9549089 CC1C2=C(CCCC2=O)N(C3=C1C(=O)CCC3)C4=CC=CC5=CC=CC=C54 1 4.431 1 2 -8.950180294845 9549088 C1C(C1C(=O)NN=C/C=C/C2=CC=CC=C2)C3=CC=CC=C3 1 3.421 2 1 0.170629822910462 9549087 CC1=CN=C(S1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3 1 2.214 5 1 -6.23540972936036 9549086 CC1=C(C2=CC=CC=C2N1)CC3=NN=C(O3)SCCC#N 1 2.665 4 1 -12.4677863489802 9548433 CC1=C([C@H](NC(=O)N1CCOC)C2=CC(=CC=C2)C(F)(F)F)C(=O)OC 1 2.082 2 4 -16.457136742931 9548427 CC1=C([C@@H](NC(=O)N1CC2CC2)C3=CC=C(C=C3)Br)C(=O)OC 1 2.839 2 3 -17.729694641482 9548426 CCOC(=O)CN1C(=C([C@H](NC1=O)C2=CC=C(C=C2)Br)C(=O)C)C 1 1.95 2 4 0 -19.459012956646 9548424 CCN1C(=C([C@H](NC1=O)C2=CC=C(C=C2)Br)C(=O)C)C 1 2.242 2 2 -15.6012527953728 9548423 CC1=C([C@@H](NC(=O)N1CC2=CC=CC=C2)CCC3=CC=CC=C3)C(=O)C 1 3.506 2 2 -9.19903101288825 9548422 CC1=C([C@@H](NC(=O)N1CC2=CC=CC=C2)C3=CC=CS3)C(=O)C 1 2.575 2 2 -14.8480685436614 9548421 CC1=C([C@@H](NC(=O)N1CC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)C 1 3.671 2 2 -12.2602489494603 9548418 CC1=C([C@H](NC(=O)N1CC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)C 1 3.671 2 2 -12.2602489494603 9548416 CC1=C([C@@H](NC(=O)N1CCC2=CC(=C(C(=C2)OC)OC)OC)CCC3=CC=CC=C3)C(=O)C 1 3.778 2 5 0 -12.9728119635522 9548415 CC1=C([C@@H](NC(=O)N1CCC2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=CC=C3)C(F)(F)F)C(=O)C 1 3.943 2 5 0 -16.3695050398693 9548413 CC1=C([C@@H](NC(=O)N1CCC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CS3)C(=O)OC 1 2.973 2 6 0 -20.2909797168157 9548412 CC1=C([C@@H](NC(=O)N1CCC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(C=C3)Br)C(=O)OC 1 3.874 2 6 0 -20.3310647898479 9548411 CC1=C([C@@H](NC(=O)N1CCOC)CCC2=CC=CC=C2)C(=O)C 1 1.792 2 3 0 -11.5916160303719 9548410 CC1=C([C@@H](NC(=O)N1CCOC)C2=CC=CO2)C(=O)C 1 0.303 2 4 0 -18.1675507912111 9548408 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CC1=CC=CC(=C1)C(=O)NCCC2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(=O)O 1 2.468 5 4 0 -22.1150034879418 9542930 CC1=CC=C(C=C1)C(=O)NCCC2=NN=C(N2C)SCC(=O)NC3=NC(=CS3)C4=CC=CC=C4 1 3.783 6 2 0 -16.5805096292904 9542929 CC1=CC=C(C=C1)C(=O)NCCC2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(=O)O 1 2.468 5 4 0 -22.1740002303964 9542914 CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C3=CC=CC=C3)CCNC(=O)C4=CC=CS4 1 3.599 6 2 0 -19.2901114340926 9542913 CC1=C(N=C(S1)NC(=O)CSC2=NN=C(N2C)CCNC(=O)C3=CC=CS3)C4=CC=CC=C4 1 3.395 6 2 0 -22.5948349807334 9542909 C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=NN=C(O2)CCCOC3=C(C=C(C=C3)Cl)Cl 1 4.212 3 5 0 -17.2239769501421 9542901 C1COCCOCCOC2=C(C=CC(=C2)C3=CN=C(C(=N3)C#N)C#N)OCCOCCO1 1 1.352 4 6 0 -2.29385485028742 9541975 CC(=O)NC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C(=O)NCCOC3=CC=C(C=C3)OC 1 2.394 3 6 0 -15.2445532788668 9541908 C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C4=CN5C=CC=NC5=N4 1 4.138 4 2 3.01223945103777 9541655 CCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O)C 1 3.509 1 7 0 -13.4804266116831 9541651 CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O)C(=O)OC 1 3.16 1 7 0 -13.9417972500674 9541563 COC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC=NC=C3)C(=O)C4=CC=NC=C4 1 3.086 3 6 0 -11.9492170677474 9541466 CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CN=CC=C4)C)/S2)C 1 4.206 4 3 0 -9.84565748799853 9541173 CCC(=O)NC1=CC=C(C=C1)C2=NN=C(N2CC)SCC3=CC=C(C=C3)C(=O)NC4=NC=CS4 1 3.909 6 2 0 -16.0608955849267 9541172 CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=NC=CS3)C4=CC=C(C=C4)NC(=O)C 1 3.242 6 2 0 -16.3455954318919 9541170 CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=NC=CS3)C4=CC=C(C=C4)N 1 3.375 6 1 0 -12.1870856582185 9541048 CCOC(=O)COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=NC3=CC=CC=C3)S2)CC4=CN=CC=C4)OC 1 4.441 3 5 0 -15.5906315051986 9540952 C1COCCN1CCCNCC2=C(C=CC(=C2)Br)OCC(=O)NC3=CC=CC=C3 1 2.624 3 3 -4.89087279696732 9540934 CN(C)CCNCC1=CC(=C(C=C1Br)OCC(=O)NCC2=CC=CC=C2)OC 1 2.865 3 3 -9.3058229463687 9540806 CCOC1=C(C(=CC(=C1)C=NNC(=O)CN2CCOCC2)Br)OCC#C 1 2.969 3 4 0 -11.8725433350499 9540794 CCOC1=C(C=CC(=C1)C=NNC2=CC=C(C=C2)[N+](=O)[O-])OCC(=O)NC3=CC(=C(C=C3)C)C 1 5.268 4 5 0 -10.8025814617181 9540773 CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=NNC(=O)CN3CCOCC3)OC)C 1 2.288 4 5 0 -15.0718367558503 9538692 CCN(CC)C1=CC=C(C=C1)C=C(C2=NN=NN2C3=CC=C(C=C3)C)C4=NN=NN4C5=CC=C(C=C5)C 1 5.714 9 0 0 -10.9642862647287 9537577 CC(C)N1C(=O)/C(=C\NC2=CC(=CC=C2)[N+](=O)[O-])/C(=O)N(C1=O)CCC3=CC=CC=C3 1 3.142 4 5 0 -9.7228862088831 9537242 COC(=O)C1=CC=CC=C1S(=O)(=O)NNC2=C(C=CC=N2)[N+](=O)[O-] 1 1.478 4 6 0 -11.8889060248348 9536009 CC1=CC(=CC=C1)OCCNC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 3.075 2 4 -13.2185725484581 9535994 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC 1 4.197 2 4 -18.5476455908841 9535993 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(S3)[N+](=O)[O-] 1 2.234 4 3 0 -1.45986642377793 9535982 COC1=CC=CC(=C1)CC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4 1 3.452 1 4 -8.09363941781216 9535952 CC1=C(C=CO1)C(=O)/C(=C/C2=CC(=C(C=C2)O)Br)/C#N 1 3.296 1 3 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CC1=C(OC2=C1C=CC=C2F)C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4 1 4.539 2 2 13.8373981626485 9534923 CC1=CC=C(C=C1)NC(=O)C2=NN(C=C2OC)C3=CC=CC=C3 1 3.739 3 2 0.232278277079253 9534854 C1=CC(=CC=C1CNC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)F 1 3.12 2 2 -15.9301062990237 9534819 CC(C)SC1=NN=C(S1)SCC(=O)NCCCN2CCCC2=O 1 1.431 4 2 0 -32.0188249941046 9534811 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 4.354 1 4 -2.71717758267062 9534809 CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCN2C(=O)C3(CCCC3)NC2=O 1 3.79 3 3 -9.79268865715705 9534713 COC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3(CCCC3)NC2=O 1 1.713 3 4 0 -15.2664878493583 9534712 CN(CC1=CC(=CC=C1)OC)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3 1 4.378 1 3 -5.96732439934651 9534711 CN(CC1=CC(=CC=C1)OC)C(=O)C23CC4CC(C2)CC(C4)C3 1 3.702 1 2 -0.404890005605227 9534710 C1CCC2(C1)C(=O)N(C(=O)N2)CCCC(=O)NCC3=CC=CC=C3 1 1.73 3 3 0 -15.6683365449937 9534703 CN(CC1=CC=CS1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 3.057 2 3 -20.0082483216646 9534679 CC(C)N(CC(=O)N)C1=NC=C(C=C1)S(=O)(=O)N2CCCC2 1 -8.2e-002 4 3 0 -17.3238379275956 9534436 CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=CC(=CC=C3)N(C)C 1 2.226 3 3 -16.2913040649945 9534416 CC1=C(C=CC(=C1)Cl)NC(=O)CCN2C(=O)C(NC2=O)(C)C 1 1.876 3 3 0 -12.3167482212163 9534411 CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NCCC4=CC(=CC=C4)F 1 3.813 4 1 -9.9979493316322 9534296 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCO4 1 3.184 3 3 -2.05467943359237 9534152 CC(=O)N1CCC(CC1)C(=O)NCCOC2=CC=CC=C2OC 1 0.875 2 4 0 -14.0462587110039 9534116 CN(CC(=O)NCC1=CC=CO1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl 1 0.972 3 5 0 -18.3776328298284 9534070 CC1=CC=CC(=C1O)C(=O)OCC(=O)NCCSCC2=CC=CC=C2C#N 1 3.065 2 4 -13.1892090472356 9533978 C1CCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 0.873 3 3 0 -18.7122413413642 9533976 C1CCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl 1 2.415 3 3 -18.844586259198 9533974 C1CCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl 1 1.332 3 3 0 -14.2114079904281 9533951 C1=CC=C(C(=C1)CNC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)F 1 3.12 2 2 -18.0789610738715 9533890 CC1=CC=CC=C1NC(=O)COC2=NOC(=C2)C 1 2.074 2 3 -11.6926914502917 9533868 C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4 1 2.47 3 2 -4.56778787878754 9533848 CNC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.668 4 1 1.68042943328927 9533833 C1=CC=C(C(=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)Cl 1 3.189 4 2 -8.25526487238214 9533819 CCN1C(=NN=N1)SCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4 1 1.164 6 3 0 -21.5330380175843 9533805 CC1=CC(=C(C=C1)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)Br 1 4.339 3 2 -5.11255318744864 9533791 CN(C)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2 1 0.604 3 3 0 -21.3693650644998 9533757 CC1(C(=O)N(C(=O)N1)CCC(=O)NC2=CC=C(C=C2)C(=O)OC)C 1 0.581 3 5 0 -15.3727391119408 9533729 CC1=CC=CC=C1CN2CCC3=C2C=CC(=C3)[N+](=O)[O-] 1 4.03 2 2 -8.9433401539555 9533687 CC1=CC(=C(C=C1)[N+](=O)[O-])OCC2=NC=C(N2C)Cl 1 2.523 3 3 -2.36130685697778 9533680 CCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3 1 1.577 4 4 0 -26.8625658895728 9533635 CCCCC1CCC(CC1)C(=O)NC2=C(C=C(C=C2)N3CCOCC3)N4CCOCC4 1 4.396 3 3 -4.97238488410358 9533438 CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C 1 4.416 1 3 -11.0034382871542 9533403 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC(=C(C=C3)OC)OCC 1 2.331 2 6 0 -21.488812206753 9533402 CC1=CC(=C(S1)C)C(=O)CCC(=O)N(C)CC(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.436 2 4 -11.7805432485508 9533090 CCN(C1=NON=C1OC)N=NC2=NON=C2OC 1 1.871 7 4 0 -3.4264826537984 9532258 CCOC(=O)C1=CC=C(C=C1)/C=C\2/C=C(N(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C4=CC=CC=C4 1 5.184 1 5 -7.80527343841345 9532010 CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)COC3=CC=CC=C3CC4=CC=CC=C4 1 3.569 3 3 -11.8081399222015 9531908 CCOC(=O)C1=C(C(=C(S1)N/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)C#N)C 1 2.635 4 5 0 -16.5492577246352 9531890 CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C 1 2.443 5 3 0 -13.1739366197533 9531366 CNC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)NC2=CC=CC=C2 1 1.039 4 3 0 -17.4471051991924 9526049 C1=CC=C(C=C1)CSCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.429 2 4 -15.2808280753843 9525184 CC1=C(C(=NC(=C1CC(=O)C2=CC=C(C=C2)Br)C)SCC(=O)NC3=CC=CC=C3C(F)(F)F)C#N 1 6.174 3 2 -15.6758759814323 9522863 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C2=CC=NC=C2 1 2.058 3 2 -8.30042153372802 9522851 CC1=CC(=NC(=N1)SCC(=O)N(C)CC(=O)NC2=C(C=CC=C2Cl)Cl)C 1 2.91 4 2 -16.2845450687479 9522816 CCC1=C(SC(=C1)C(=O)N(C)CC(=O)NC2=C(C=CC=C2Cl)Cl)C 1 4.25 2 2 -5.67880603589624 9522373 COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=C2C#N)SCC(=O)NC3=NC=CS3)C4=CC=CC=C4 1 4.688 4 4 0 -17.9667334920815 9519431 C1CCC(=NNC(=O)C2=CC(=CC=C2)O)C1 1 1.71 2 2 0 -6.57805275891727 9517207 C1CN(CCC1C(=O)NCC2=CC=CO2)C(=O)C3=CC=C(C=C3)Cl 1 2.353 2 3 -9.84578245364512 9516939 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC3=NN=C(S3)C 1 2.414 3 3 -0.835889826825749 9516862 CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC)N2CCCCC2 1 1.587 3 3 0 -16.9200489119736 9516708 CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)OC 1 4.654 2 2 -4.9326646174719 9516681 C1=CC=C(C(=C1)NC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N)F 1 2.059 4 3 0 -8.39059770819936 9516406 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=NC3=CC=CC=C3N2 1 1.174 4 4 0 -11.4967739420774 9516249 CCC1=CC(=CC=C1)NC(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32 1 2.404 3 3 -6.90213948405492 9515980 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC3=CC=CC=C3Br 1 3.761 2 2 -2.33127660491611 9515745 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)F)C(=O)COC3=CC=CC=C3C#N 1 1.757 4 3 0 -10.2973116870993 9515552 C1CN(CCN1CC2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3F 1 2.001 3 3 -10.465437762816 9515535 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CC2=CC3=C(CCC3)C=C2 1 4.263 2 2 -14.3288109617091 9514734 CC1=CC(=NO1)NC(=O)COC2=C(C=CC(=C2)OC)C(=O)N 1 0.574 3 5 0 -15.0972816620814 9514661 COC1=CC=CC(=C1)CNC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 4.158 1 2 -6.11128562963281 9514654 COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3CC3)C4=CC=CC=C4 1 3.684 3 2 2.73988251420064 9514475 C1CN(CC=C1C2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.884 2 2 -3.18290731961021 9514326 CC1=CC=C(C=C1)COC2=CC=C(C=C2)CNCCCN3CCCCCC3=O 1 4.049 2 2 -12.8289326693454 9513798 CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NCCC4=CC=C(C=C4)F 1 3.813 4 1 -11.0179365839637 9513205 CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C=N3)CC(=O)OCC=C)C 1 2.25 3 3 -14.1351170267015 9512780 CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)C3CCCCC3 1 3.786 3 2 -11.5689993730831 9512005 C1COCCN1C2=CC=C(O2)/C=C\3/C(=O)N(C(=NC4=CC=CC=C4)S3)CCC5=CNC6=CC=CC=C65 1 5.553 4 3 0 -3.43777631083323 9512029 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OCC(=O)O)OC)/SC2=O 1 3.383 2 7 0 -14.7441981474339 9511301 CC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)CC(=C(C4=CC=CC=C4)C5=CC=CC=C5)C3=O 1 5.12 3 2 -7.78402919195901e-002 9511286 C1CN(CCN1CCCCN2C(=O)CC(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2=O)C5=CC=CC=C5 1 5.214 3 2 0.80109860418528 9511277 C1CN(CCN1CCCN2C(=O)CC(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2=O)C5=CC(=CC=C5)Cl 1 5.298 3 2 3.395767311669 9511214 CC1=C(N=NN1C2=CC=C(C=C2)Cl)C3=NNC(=S)N3C4=CC=C(C=C4)Br 1 5.424 6 0 -3.10075606062179 9511206 CC1=CC=C(C=C1)C2=NC(=C(O2)NC)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 5.758 2 2 1.45955041002918 9511014 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C(\C#N)/C3=NC4=CC=CC=C4O3)OC 1 3.204 6 5 0 -16.5463374429288 9510880 CCNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=C(C=CC=C2Cl)Cl)Br 1 4.467 1 2 -4.47618667646147 9510878 CCNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)Br 1 4.467 1 2 0.254728929589523 9510845 CNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)Br 1 4.118 1 2 0.277897219857485 9510841 CNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=C(C(=CC=C2)Cl)Cl)Br 1 4.118 1 2 -0.968733097948894 9509787 CN1CC(=O)N(C1=O)CCCC(=O)NC2=CC(=C(C=C2)OC)Cl 1 1.105 3 4 0 -14.101400141691 9509783 CC1=CC(=CC=C1)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.742 2 2 -14.12961963683 9509774 CCC1=CC=CC=C1NCC2=CC(=O)OC3=C2C=CC(=C3)C 1 4.68 1 2 -2.93800762173595 9509742 CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)/C=C/C3=CC=CC=C3F 1 1.446 3 4 0 -17.2710516711235 9509712 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=C(C=C3)N4C=NN=N4 1 1.565 6 3 0 -29.7631812989601 9509710 CCC1=CC=CC(=C1NC(=O)CCN2C(=O)C(NC2=O)(C)C)C 1 2.154 3 3 -15.0360787967981 9509703 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCC3=CC=CC=C32 1 1.026 3 4 0 -18.5923906138263 9509690 CC(=O)NC1=CC=C(C=C1)CC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.838 2 2 -17.0960918193251 9509679 CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=CC=CC=C3OC 1 4.203 2 2 -11.07642817556 9509643 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCC(C)(C)N3CCOCC3 1 1.511 3 4 0 -24.2143245098189 9509611 C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=CC=CC=N3)N 1 0.601 4 3 0 -11.9547463164272 9509567 CC1=CC=CC2=NC(=CN12)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4 1 2.273 6 1 0 -8.56137855600936 9509566 C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)F)N3C=NN=N3 1 2.078 5 3 0 -17.8087547138883 9509562 CC1=CC=CC=C1NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 3.394 2 2 -15.3056153721911 9509560 CSC1=CC=CC(=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 3.45 2 2 -10.6384427469641 9509555 C1CC1N2C(=NN=N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)O 1 1.366 6 2 0 -21.1122730379817 9509532 COC1=CC=CC=C1CNCC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.607 1 1 -4.17395729695824 9509462 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)C3=CC(=C(C=C3)OC)OC 1 2.656 3 4 0 -6.95766711089308 9509453 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C2=CC3=NNN=C3C=C2 1 2.088 5 3 0 -8.42470071468902 9509332 C1CC(CCC1NCC2=CN(C3=CC=CC=C32)CCC#N)O 1 2.467 3 1 -2.13565343971814 9509315 CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)C2=CC=C(C=C2)N3C=CC=N3)C 1 2.948 4 3 0 -8.03784452367275 9509306 CN(CCCC(=O)NC1=CC=C(C=C1)OC(F)F)S(=O)(=O)C2=CC=C(C=C2)F 1 3.163 2 4 -9.80511801460785 9509286 CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)C 1 2.805 4 3 0 -15.8348410310934 9509252 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3 1 1.337 4 4 0 -17.2574627365147 9509229 COC1=CC=C(C=C1)S(=O)(=O)NCCOC2=CC=C(C=C2)Cl 1 3.021 1 4 -2.85716051236959 9509183 C1COCCN1C2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.813 2 1 5.34425823861157 9509162 CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2 1 2.496 4 3 0 -17.2884183607108 9509159 CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3 1 3.588 3 3 -3.15915298909931 9509130 CC(=O)NCCSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2 1 0.53 3 3 0 -21.3966743830183 9509102 CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NCC(=O)OC 1 3.426 2 5 0 -16.7380509351848 9509096 CC1(C(=O)N(C(=O)N1)CCC(=O)NC2=C(C=CC(=C2)Cl)OC)C 1 1.374 3 4 0 -12.6687517345194 9509095 CC1=CC(=C(C=C1Cl)OC)NC(=O)CCN2C(=O)C(NC2=O)(C)C 1 1.86 3 4 0 -15.0801463311722 9509083 CN(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC3=C2N=CC=C3 1 3.395 3 2 -6.88870531973381 9509052 CC1=C(C=CC(=C1)Cl)NC(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32 1 2.612 3 3 -7.68327631472202 9509000 COC1=C(C=C(C=C1)CNC(=O)CCNC(=O)C2=CC=CO2)OC 1 1.291 2 5 0 -20.5078322520026 9508981 COC1=CC=CC=C1NC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N 1 1.837 4 4 0 -10.667461308741 9508973 CCC1=C(C=C(S1)C(=O)NC2=CC=CC(=C2)N3C=NN=N3)C 1 2.753 5 1 -16.2558791044734 9508938 COC1=CC(=C(C=C1)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)OC 1 -0.399 3 5 0 -13.5993830855085 9508873 COC(=O)C1=CC(=CC=C1)NC(=O)CCCN2C(=O)C3(CCCC3)NC2=O 1 1.578 3 5 0 -13.5721937118208 9508872 CC(=O)C1=CC(=CC=C1)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)F 1 2.098 2 4 -14.0882520960713 9508832 C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)NC3=CC=C(C=C3)C(F)(F)F 1 3.211 2 2 -7.69763383139565 9508810 COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)NC(=O)NC3CCCCC3)OC 1 2.17 6 4 0 -9.53874017484708 9508798 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43 1 2.386 4 3 0 -25.286891209319 9508775 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCN2C(=O)C(NC2=O)(C)C 1 1.388 3 5 0 -19.3410561808258 9508767 CCN1CCN(CC1)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C 1 1.771 3 3 0 -8.86545009342221 9508757 C1CN(CC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)Cl 1 3.481 2 1 -9.02176249117507 9508755 CCOC1=C(C=C(C=C1)CN(C)C(=O)NNC(=O)C2=CC=C(C=C2)C)OC 1 2.794 3 4 0 -9.288938375737 9508752 COC1=CC=C(C=C1)CNC(=O)N2CCC3=CC=CC=C3C2 1 2.8 2 2 -11.256727390906 9508654 CC1=C(OC2=C1C=C(C=C2)F)C(=O)NC3=NC=CS3 1 2.898 2 2 5.85643656407292 9508625 CCC1=CC2=C(S1)N=CN=C2SCC(=O)N3CCCC3=O 1 2.31 3 2 -15.9155225608744 9508611 CC1=CC(=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)O)C 1 3.804 2 3 -4.26657615890477 9508609 CCOC(=O)C1=C(C(=C(N1)C)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O)C 1 3.552 1 5 -8.05002568699766 9508589 C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.917 4 2 -4.24965890936817 9508461 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 -0.391 3 4 0 -24.5386207919466 9508453 COC1=CC=C(C=C1)CCNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.128 3 5 0 -17.4021318779126 9508363 CC1=CC(=C(C=C1)OC)NC(=O)CCCN2C(=O)C(NC2=O)(C)C 1 1.517 3 4 0 -15.3100682375431 9508334 CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CN(N=C2)C 1 1.559 4 2 0 -14.7523809664049 9508307 CC1=C(C(=NO1)C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N(C)C 1 1.693 4 4 0 -25.5860495837434 9508261 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)NC3CCCCC3 1 1.985 3 5 0 -21.90192654656 9508252 CC1CCC(CC1)NC(=O)COC(=O)C2=NN3C(=CC=NC3=N2)C 1 1.65 5 3 0 -20.5091156560357 9508210 C1CCC2=C(CC1)SC3=NC=NC(=C23)NC4=CC=CC(=C4)CO 1 4.436 3 1 -4.33834094182393 9508170 C1=CC=C(C(=C1)CCNC(=O)C2=CC=CC3=C2N=CC=C3)F 1 3.334 2 1 -7.87332171518736 9508162 CCC1=CC=C(C=C1)CN(C)C(=O)C2=CC(=O)C3=CC=CC=C3O2 1 3.558 1 3 -6.19814205154078 9508136 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3CC#N 1 4.031 2 3 -13.1982444222802 9508099 CCOC(=O)C1=C(NC(=C1C)NC(=O)NC2=CC=C(C=C2)NC(=O)C)C 1 1.697 4 4 0 -7.26143834839021 9508066 C1=CC2=NN=C(N2C=C1)CNS(=O)(=O)C3=CC=CC(=C3)C#N 1 0.887 5 2 0 -11.9683524928475 9508065 C1=CC2=NN=C(N2C=C1)CNS(=O)(=O)C3=CC=C(C=C3)F 1 1.213 4 2 0 -8.11626020437432 9508043 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3C#N 1 4.002 3 1 -5.96483347060224 9508026 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4 1 4.103 4 2 -7.30334387823964 9507988 COC1=CC(=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CS3)OC 1 4.439 1 3 -6.54791508403338 9507875 CC(C)C1=NC2=C(C=CC(=C2)Cl)N(C1=O)CC3=CC=CC=C3 1 4.416 2 1 0.782151738103097 9507851 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O 1 2.285 2 5 0 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5 2 0 -15.267801810779 9465652 CC1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)CC3=CC=CC=C3OC 1 2.077 3 4 0 -9.7093379268072 9465647 CCOC(=O)C1=C(NC(=C1C)C(=O)NCCN2CCOCC2)C 1 1.085 3 4 0 -12.5411702700207 9465080 C1=CC(=C(N=C1)NCCOC2=CC=C(C=C2)Cl)C#N 1 3.202 3 1 -0.243480913224074 9465062 CC1=CC2=C(C=C1)C(=CC(=O)O2)CNCC3=CC=CC=C3 1 3.467 1 2 -1.88131530766757 9464898 CC(C)(CNCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)CN(C)C 1 3.358 2 2 -3.69443598439193 9464686 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)COC(=O)C3=CC(=CC=C3)OC(F)F)C 1 1.504 3 6 0 -14.0719145195348 9464498 C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.166 2 5 0 -9.7566282209827 9464398 CN(C)C1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CC2=CC=CC3=CC=CC=C32 1 2.837 3 3 -14.1551385330457 9464352 COC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CO3)OC 1 2.214 2 6 0 -1.78545581253034 9464322 COC1=CC=CC=C1CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 4.337 3 2 -12.352324074778 9464275 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=NN=NN3C4CC4)C 1 2.58 6 1 0 -19.719133058896 9464268 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C1CCC(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F 1 2.285 2 3 -20.9233982955259 9369504 CC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F 1 2.924 2 4 -19.1776788484447 9369441 CC1=C(SC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F 1 2.473 2 3 -20.3334589231097 9369415 C1CN(CCN1C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=CC(=C3)F 1 0.883 3 3 0 -19.450576366428 9369226 C1=CC=C2C(=C1)C=NN(C2=O)CCOC3=CC(=CC=C3)Br 1 3.439 2 2 4.50824139069527e-002 9369161 C1=CC=C2C(=C1)C=NN(C2=O)CC3=C(C=C(C=C3)Br)F 1 3.596 2 1 2.52311929303594 9368937 CCC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C 1 2.041 3 4 0 -26.2022812881239 9368901 C1CN(CCN1C(=O)CN2CSCC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl 1 0.376 3 4 0 -23.8891924097766 9368524 CCC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C 1 1.863 3 4 0 -28.2125765730445 9366753 CC1=C(C=CO1)C(=O)/C(=C/C2=CC(=C(C(=C2)Cl)O)O)/C#N 1 2.97 1 4 -1.70882387125282 9364448 COC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3 1 1.805 3 4 0 -13.2562193282026 9364149 CC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Cl 1 2.899 1 4 -9.97059095187085 9363731 CC1=CC=CC(=C1)C(=O)NCC(=O)OCC2=CC(=O)N3C=CSC3=N2 1 1.096 3 4 0 -21.4473626699377 9363676 CC1=CC=CC(=C1)C(=O)NCC(=O)OCCOC2=CC=CC=C2Cl 1 3.527 1 4 -11.3273864198625 9363380 CCN(CC(=O)NCC1=CC=C(C=C1)F)CC(=O)NC2CCCC2 1 1.979 3 2 0 -13.2063052958821 9363352 CN(CC(=O)NCC1CCCCC1)CC(=O)NC2=CC=CC=C2Br 1 2.953 3 2 -12.6397115163469 9363279 CCCN(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C(=O)C2=CC3=NNN=C3C=C2 1 3.641 5 2 0 -9.42897188895404 9363248 CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4 1 2.996 4 3 0 -16.0496143071929 9363225 CC1=C(C(=NN1CC(=O)NCCC2=CCCCC2)C)[N+](=O)[O-] 1 2.189 4 3 0 -17.9247166702704 9363214 C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl)C5=CC=CC=C5 1 5.007 4 1 1.81465236720769 9363159 COCC1=C(OC2=CC=CC=C21)C(=O)NCC3=CC=CC=C3CN4CCCC4 1 3.555 2 3 -0.408175097429618 9363150 C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CCC3=NC(=NO3)C4=CC=CC=C4 1 2.178 4 3 0 -12.3089850190356 9363069 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5 2 0 -11.1458294002672 9360932 CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4CC4)OC 1 3.595 4 3 0 -16.0184408249613 9360874 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=CC=C(C=C3)Cl)C 1 2.05 3 3 -8.46352837289674 9360860 CC1=CC(=C(C=C1)C)SCC(=O)NC2=C3C(=C(O2)C)C(=NNC3=O)C 1 2.358 3 3 -12.3528512022465 9360826 CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CSC3=CC=C(C=C3)NC(=O)C)C 1 0.506 4 4 0 -13.7460289648058 9360823 COC1=CC(=C(C=C1NC(=O)C2=CN=CN2C3=CC=C(C=C3)F)Cl)OC 1 3.412 3 3 -4.44537836070538 9360813 C[C@@H](C(=O)NC1CCCCCC1)NC(=O)C2=CC=CO2 1 2.291 2 3 -12.8275419745569 9360639 C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NC4=CC=CC=C4O3)N 1 1.28 4 4 0 -8.99980775461214 9360634 COCCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N 1 1.344 5 4 0 -18.4633062430804 9360573 CCCC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3O2)COCC 1 3.22 3 3 -7.56623730135758 9360553 CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)C 1 2.396 5 3 0 -7.28273389046283 9360551 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N 1 1.161 6 3 0 -15.5830649902252 9360473 CC1=CC(=C(C=C1Cl)OC)NC(=O)CN2CCN(CC2)C(=O)C3CC3 1 2.065 3 3 -13.6395200020564 9360469 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCCC3=CNC4=CC=CC=C43 1 2.483 4 3 0 -15.564260487107 9360455 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CCC3 1 2.954 1 2 9.04564891466695 9360307 CC(=O)N(C)CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4 1 2.58 4 2 -12.1866753725218 9360297 C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NC=CC=N3)N 1 -4.5e-002 5 3 0 -10.7999609202251 9360295 CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N 1 0.788 5 4 0 -16.0008258388612 9360291 C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NN=CN3C4=CC=CC=C4)N 1 0.9 6 3 0 -13.650060331115 9360232 CN(CC(=O)NC1=CC=CC2=CC=CC=C21)C(=O)C3=C(C=C(C=C3)SC)OC 1 3.314 2 3 -7.78575364181401 9360204 CC(=O)C1=CC(=C(C=C1)OC)CC(=O)NCCCN2C=CN=C2 1 0.6 3 3 0 -11.8635977337238 9360157 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2=CC=C(C=C2)N3C=NC=N3 1 2.039 5 2 0 -12.7230030547969 9360061 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C(=O)C4(CCCCCC4)NC3=O)C 1 3.297 4 3 0 -1.92397925063851 9357716 CC1=CC=C(C=C1)OCCNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4CC4 1 3.821 4 2 -11.9946254297299 9357710 CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4CC4 1 3.281 5 2 0 -18.3269935854875 9357708 CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4CC4 1 3.487 5 2 0 -14.4548698379924 9357707 CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NCCC4=CC=C(C=C4)OC 1 3.591 4 2 -12.1427798185731 9357704 CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NC4=CC(=C(C=C4)OC)OC 1 3.246 4 3 0 -14.5148317277328 9357703 CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NCCC4=CC=CC=C4OC 1 3.591 4 2 -16.5056158286645 9357701 CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NCC4=CC=C(C=C4)OC 1 3.27 4 2 -12.8676973787776 9357695 CC1=CC=CC=C1CCNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4CC4 1 4.093 4 1 -13.4866145469641 9356001 COC1=CC=C(C=C1)C2=NOC(=N2)CN3C=C(C=CC3=O)S(=O)(=O)N4CCCC4 1 0.314 4 5 0 -6.09883831244232 9355996 COC1=CC=CC=C1C2=NOC(=N2)CN3C=C(C=CC3=O)S(=O)(=O)N4CCCC4 1 0.314 4 5 0 -11.4448174268289 9351069 COC1=CC(=C(C=C1)C2=NC3=C(C(=C2)C(=O)OC)C(=O)N=C(N3)SC)F 1 3.41 3 4 0 -8.25810243158617 9366247 CC1=CC=C(C=C1)OCCNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C 1 2.653 2 4 -15.8624973124413 9366140 CC1=CC=C(C=C1)OCCNC(=O)CNC(=O)C2=CC(=C(C=C2)C)C 1 3.188 2 3 -12.9446795930981 9366137 CCOC1=CC=C(C=C1)C(=O)NCC(=O)NCCOC2=CC=C(C=C2)C 1 2.548 2 4 -14.0140566279181 9366079 CC1=CC=C(C=C1)OCCNC(=O)CNC(=O)C2=CC=CC=C2Cl 1 2.88 2 3 -13.6023672400032 9345359 CC1=C(C=CC2=C1OC(=O)C=C2CNC3=CC=CC=C3OC)O 1 3.479 1 4 2.80079377328446 9344082 CC(=O)NCC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=CS3 1 3.238 2 1 -4.77382363609627 9343974 CC1=CC=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C 1 3.121 2 3 -20.328928015712 9343893 CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3)C 1 3.71 3 3 -10.9772620786336 9343778 CCC1=C(SC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3)C 1 3.779 3 3 -11.9977003151973 9343757 CSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3 1 3.28 3 3 -17.6682138892577 9341932 CC1=CC=CC=C1NC(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32 1 3.103 2 2 -12.8990437026396 9341826 CCN1C(=O)C(=O)N(C1=O)CC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC 1 0.569 3 6 0 -17.0405860942093 9330731 COC1=C(C=C(C=C1)CCC(=O)NNC(=O)C2=CC=CC=N2)OC 1 1.607 3 4 0 -15.6326347801636 9330084 CC1=C(C=C(C=C1)C(=O)N2CCC2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 2.082 2 4 -8.47099325568834 9330053 COC1=CC=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3 1 1.29 2 4 0 -8.19424243331027 9329385 COC1=CC=CC=C1CNC(=O)COC(=O)COC2=CC=CC=C2CC3=CC=CC=C3 1 4.122 1 5 -15.8139632035141 9329383 CN(C1=CC=CC=C1)C(=O)COC(=O)COC2=CC=CC=C2CC3=CC=CC=C3 1 4.337 1 4 -9.62704268476578 9329267 CC1=CC(=C(C=C1)C)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 4.228 2 2 -13.9013026096092 9329256 C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CN3 1 3.535 3 1 -1.53738830969719 9329249 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4 1 4.552 3 3 3.22736881944696 9329233 C1CC(=O)N(C1)C2=CC=CC=C2NCC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4 1 2.063 6 2 0 -17.490378941335 9329209 CN(CC1=CC=CC=C1N2CCCC2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl 1 4.71 2 2 4.20551807997821 9329171 COC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 2.349 3 5 0 -11.8415466305689 9329152 C1COCCN1C2=CC=C(C=C2)NC(=O)CN3CCSC3=O 1 1.086 3 3 0 -10.5656254493333 9329073 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)NCC2=CC=CC=C2 1 3.812 1 4 -11.19153353111 9328995 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4 1 1.906 3 4 0 -8.91843276895866 9328794 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC(=O)NC3=CC=CC=C3OC)C 1 2.781 1 6 0 -16.3021017413848 9328739 CC1=CC(=CC(=C1)NC(=O)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C)C 1 3.77 1 5 -13.47426816748 9328685 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC(=O)NC3=CC=C(C=C3)OC)C 1 2.781 1 6 0 -13.427427429159 9328677 COC1=CC(=CC(=C1)C(=O)NCC2(CCCCC2)N3CCCCC3)OC 1 3.775 2 3 -11.3912827140691 9328637 CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)N4CCCC4=O 1 2.664 4 2 -14.278310146731 9328567 CCC1=NOC(=C1C(=O)NNC(=O)C2=CC(=CC(=C2)OC)OC)C 1 1.387 3 5 0 -15.9267814586493 9328566 CC(C)COC1=C(C=C(C=C1)C(=O)NCC2(CCCCC2)N3CCOCC3)OC 1 3.737 2 4 -19.3534282923064 9328552 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC(=O)C3=C(C=C(C=C3)OC)OC)C 1 3.384 0 7 0 -12.3079635883445 9328523 C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)N(C)CC3=CC=CC=C3N4CCCC4 1 4.839 2 2 0.802419184669366 9328398 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(ON=C3C)C 1 1.782 3 4 0 -26.5400947782751 9328358 C1CN(CCN1C2=CC=CC=C2O)C(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4 1 4.326 3 3 6.47485215863567 9328357 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC(=O)NCC3=CC=C(C=C3)F)C 1 3.01 1 5 -16.3179502260952 9328356 CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NCC3(CCCCC3)N4CCCCC4 1 4.116 6 1 0 -28.1781927473206 9328330 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3)C)C 1 3.337 2 4 -16.9300872442314 9328322 CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=CC=NN3C4CCCC4 1 3.094 5 2 0 -28.3106114723526 9328183 CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC 1 2.525 4 3 0 -12.9032257114027 9328168 CC1=C(C=CC(=C1)NC(=O)C2=C(OC=C2)C)Br 1 3.098 1 2 -3.05209145415952 9328049 CCC1=C(SC(=C1)C(=O)NN2C(=O)C3(CCCCC3)NC2=O)C 1 2.848 3 3 -7.08940903163762 9327914 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5 1 4.415 4 2 -0.798117709058738 9327903 C1=CC(=CC=C1C(=O)NCCCC(=O)NC2=CC=C(C=C2)Br)Cl 1 3.656 2 2 -12.3755836507134 9327801 C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)CC4=CC=CC=C4 1 3.469 1 3 -8.67196677889986 9327631 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CS3)C(=O)N 1 0.398 4 4 0 -11.1546077895248 9327583 CC1(C(=O)N(C(=O)N1)CCCC(=O)NC2=C(C=CC(=C2)C(C)(C)C)OC)C 1 2.431 3 4 0 -12.6943629492666 9327549 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(SN=C2C)NC)F 1 2.241 3 3 -11.5778417318855 9327537 CC1=NSC(=C1C(=O)OCC(=O)C2=C(C=CC(=C2)F)OC)NC 1 2.358 2 4 -10.7974995111205 9327503 CC1=NSC(=C1C(=O)OCC(=O)C2=CC=C(C=C2)Cl)NC 1 2.833 2 3 -10.8754711455574 9327499 CC1=NSC(=C1C(=O)OCC(=O)N(C)C2=CC=CC=C2)NC 1 1.755 3 3 0 -11.8503181162537 9327493 CC1=NSC(=C1C(=O)OCC(=O)C2=CC(=C(C=C2)OC)F)NC 1 2.358 2 4 -13.1397307973299 9327476 CCN(C1=CC=CC=C1)C(=O)COC(=O)C2=C(SN=C2C)NC 1 2.104 3 3 -14.3196401859069 9327357 CC1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)CCC3=CNC4=CC=CC=C43 1 2.843 4 3 0 -11.6376183810821 9327204 C1=CC=C(C=C1)CCCNC(=O)CNC2=CC(=CC=C2)[N+](=O)[O-] 1 2.953 3 3 -13.2978418263661 9327132 CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)N4CCCC4=O 1 3.329 4 2 -9.59372390218308 9327096 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(ON=C3CC)C 1 1.648 5 4 0 -17.8370419635307 9326883 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)C2=C(N(C(=C2)C)C3CC3)C 1 3.263 1 5 -15.9869055946579 9326863 CCC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C)C 1 3.322 3 4 0 -24.4254131354475 9326753 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)N2CCCC3=CC=CC=C32 1 3.3 1 5 -16.3665300814385 9326737 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4 1 4.552 3 3 5.17677973093341 9326707 CCC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C 1 1.163 3 4 0 -26.4156900448158 9326570 CC1=CC(=C(C=C1)C)OCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)N4CCOCC4 1 3.122 3 4 0 -4.71990868462479 9326474 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2Br)S(=O)(=O)N(C)C 1 2.966 2 3 -10.6508504919889 9326401 CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5 1 4.917 4 1 0.446441819507182 9326397 C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)O)C5=CC=CC=C5 1 4.189 4 2 1.49472261122455 9326342 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)C2=C(N(C(=C2)C)C)C 1 2.774 1 5 -13.4405342580444 9326323 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)NCC2=CC=CS2 1 2.31 1 5 -19.9164485353334 9326309 C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)C(F)(F)F)OC1 1 3.035 1 5 -5.86751637199427 9326297 C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)C3=CC=CC=C3C(F)(F)F)OC1 1 3.035 1 5 -8.29776516453685 9326276 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCCC(=O)O 1 2.028 3 4 0 -17.9812425759297 9326107 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2C3CC3)C4CC4)N 1 1.74 6 3 0 -20.2688001638347 9326052 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)NCCC2=CCCCC2 1 3.314 1 5 -19.9640954850243 9326076 CC1=CC=CC=C1CN2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.365 4 2 -8.41970221126552 9325804 CC(=O)NC1=C(C=CC(=C1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4)O 1 2.125 4 3 0 -12.0353704835743 9325780 CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CO3 1 2.733 2 4 2.03213916813823 9325593 CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NCCOC4=CC=C(C=C4)OC 1 3.318 4 3 0 -12.5528682100736 9325520 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NCC2(CCCCC2)N3CCCCC3)OC 1 2.615 3 4 0 -16.0632366314178 9325516 CCC(C)(C)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=CC=C3O 1 4.443 3 2 -7.20239277033465 9325508 CC1=CC=C(C=C1)CNC(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32 1 1.955 3 3 0 -11.4726960991887 9325506 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CS3)OC 1 1.331 3 4 0 -23.3819632297914 9325326 COC1=C(C=CC(=C1)CNC(=O)C2CC2)OCC3=CC=CC=C3 1 3.265 1 3 -15.5280830134713 9325257 COC1=CC2=CC=CC=C2C=C1C(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.153 3 2 -3.49017689149403 9325050 C1CC1NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 1.726 3 5 0 -10.2432561998926 9324888 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=CS3 1 2.835 2 4 -25.4038190575164 9324767 CC1=CC=NN1C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=CSC(=N4)C 1 3.649 4 1 -3.19406690083315 9324430 CC1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)C3=CC4=CC=CC=C4O3 1 2.653 3 4 0 -2.74597230505594 9324426 CC1=CC=C(C=C1)C2=NOC(=N2)CN3C=C(C=CC3=O)S(=O)(=O)N4CCCC4 1 0.817 4 4 0 -5.68587210329818 9324274 CCC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=C(ON=C2CC)C 1 2.198 3 4 0 -16.5245505331858 9324257 COC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 3.088 1 4 -4.79729635337728 9324244 C1=CC2=NN=C(N2C=C1)CNS(=O)(=O)C3=CC=C(C=C3)Cl 1 1.672 4 2 0 -7.00613853925276 9322888 C1CCN(C1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC(=CC=C3)F)/C(=O)O 1 3.267 1 4 -10.0118121255749 9322696 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3CC3 1 1.803 3 4 0 -22.2725649634195 9322679 CC1=NOC(=C1C(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3)C(C)C 1 2.644 3 5 0 -20.905976657209 9321394 CC1=CC=CC=C1CN(C)C2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 1.904 4 2 0 -12.5699037137768 9321372 CCC1=NOC(=C1C(=O)NNC(=O)COC2=CC=CC=C2Cl)C 1 1.92 3 4 0 -17.1640005294751 9321203 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C3N2CCCCC3)N 1 1.341 6 3 0 -20.3462446683199 9320942 CC1=CC=C(C=C1)C2=CSC(=N2)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N 1 2.643 4 3 0 -10.0616589428254 9320743 CCC1=NOC(=C1C(=O)NNC(=O)COC2=CC=CC=C2C)C 1 1.742 3 4 0 -16.6953028700769 9320325 CN(CC1=CSC=C1)C(=O)CN2C=C(C=CC2=O)Br 1 0.846 2 2 0 -10.4304077612408 9320199 CC1=C(C=CC(=C1)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Cl 1 3.352 1 4 -13.7714434573187 9319735 CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC3=C(C(=C2)Cl)OCCO3 1 3.819 1 3 -2.29202795668777 9319331 CC1=CC(=CC=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.408 2 2 -15.557959909061 9319241 CN1C(=O)C2=C(N=C(C=C2C(=O)O)C3=CC=CC=C3OC)N(C1=O)CC4=CC=CC=C4 1 3.508 3 5 0 -9.17442108775723 9319232 CN1C(=O)C2=C(N=C(C=C2C(=O)O)C3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4 1 3.525 3 4 0 -6.40523874459229 9319123 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=CC=N4 1 2.541 5 2 0 -2.55166718935034 9318984 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3OC 1 2.341 4 5 0 -12.8691185570818 9318929 C1=CC(=CC=C1C2=NN=CO2)OCC3=C(C=C(C=C3)F)Cl 1 3.566 2 2 3.90274514359545 9318901 CCCOC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 2.036 3 4 0 -15.0658778725298 9318885 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CC3=C(S2)CCCCC3 1 4.645 2 2 -11.7230592042264 9318828 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)C(=O)NC3=NCCS3 1 3.06 3 4 0 -18.2135142202976 9318811 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3 1 2.525 2 4 -8.04201539162172 9318797 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCC3 1 1.352 2 4 0 -9.42424366705439 9318261 COC1=CC(=CC=C1)OCC(=O)NC2CCCCCC2 1 3.171 1 3 -8.37961809931206 9317685 CCCNC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br 1 1.191 3 3 0 -21.9969070285514 9314939 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCCC3 1 3.591 2 3 -7.07942132222748 9314931 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCCC3 1 3.591 2 3 -8.38324818718769 9314923 C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.999 3 5 0 -10.3819168837331 9314922 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCCCC2 1 2.114 2 3 -11.6901920128689 9314916 C1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 3.769 2 3 -9.00945208835775 9314907 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCCCC3 1 3.591 2 3 -8.85648743312072 9314906 C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 3.31 2 3 -6.50541751947238 9314901 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCCCC3 1 3.437 2 4 -8.3964839057898 9314525 C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 2.655 2 3 -9.99966903865736 9314517 C1CCN(CC1)C(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.038 2 2 -6.08656308533622 9314512 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.854 2 3 -6.50541751947238 9314509 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCCC3 1 2.981 2 4 -8.3964839057898 9314454 C1CCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.648 2 3 -7.93043707632754 9314446 C1CCN(CC1)C(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 2.217 2 2 -12.7297699868319 9314222 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CO3 1 2.274 2 5 0 -13.1271057472955 9314169 CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC2=CC=CO2 1 1.742 2 3 0 -12.8634255603197 9314147 C1=COC(=C1)CNC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 1.859 2 3 0 -17.7643369160725 9314146 C1=COC(=C1)CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 1.562 2 4 0 -17.640935584584 9301133 C1CN(CCN1CCOC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F 1 3.478 2 3 -7.89774574604743 9300245 COC1=CC(=C(C=C1)OC)NC(=O)CN(CC2=CC=C(C=C2)F)C3CCCCC3 1 4.571 2 3 -7.97787103148439 9299883 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3N4CCCC4 1 1.776 4 3 0 -7.58960404357975 9298567 CC(C)CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3CCCCC3 1 3.73 2 3 -19.6263687813431 9296498 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=NC=CN=C3 1 1.534 4 2 0 -5.96196414022593 9292383 C1CN(CCN1CC2=C(N=C3N2C=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)O 1 4.193 4 1 5.48134208455201 9292362 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC(=S)N2CCCC2 1 3.492 2 3 -15.1403881314011 9292360 CC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 2.299 2 4 -19.7133987226896 9292114 CC1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 3.153 2 4 -17.8885248529102 9291878 COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)CN3CCCCCC3 1 3.916 2 3 -8.16483658205622 9291764 C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4F)C5=CC=CC=C5 1 4.548 4 1 -2.13047429685434 9291752 C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C5=CC=CC=C5 1 4.222 5 1 -2.63308547304982 9291702 C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)CCC3=CC=CC=C3Cl)OC1 1 3.248 1 5 -13.5471024199565 9291690 CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C3=NC4=CC=CC=C4N=C32)C 1 2.975 4 2 -8.00463063855584 9291680 C1CCC(CC1)(CNC(=O)CSC2=NN=NN2C3=CC=CC=C3)N4CCCCC4 1 3.63 6 1 0 -26.1903743246577 9291678 C1CCC(CC1)(CNC(=O)CSC2=NN=NN2C3=CC=CC=C3)N4CCOCC4 1 2.401 6 2 0 -27.5387596735926 9291631 CC1=CC=C(O1)C(=O)OCC(=O)NC(=O)C2=CC=C(C=C2)OC 1 1.717 1 6 0 -7.84884409377037 9291619 CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=CC=C(C=C2)N3C=CC=N3 1 2.648 4 2 -10.6893355186501 9291613 CCOC(=O)C1=C(NC(=C1C)C(=O)NCCC2=CC(=C(C=C2)OC)OC)C 1 3.13 2 5 0 -13.8137285268285 9291601 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C 1 3.525 3 4 0 -12.017709611615 9291515 CN(CC1=C(C=CC(=C1)Br)OC)C(=O)CC2=CNC3=CC=CC=C32 1 3.887 2 2 -5.40403302567489 9291388 CC1CCN(CC1)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3 1 2.552 1 5 -12.780459998034 9291376 CC(C)C1=CC=C(C=C1)C(=O)NCC2(CCCCC2)N3CCOCC3 1 3.773 2 2 -9.59781399621883 9291211 CC1=C(C(=NN1CC(=O)NC2CCCC2)C)[N+](=O)[O-] 1 1.264 4 3 0 -11.6862644711658 9289991 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)CSCC2=CC=CC=C2 1 3.78 2 2 -16.9569492015463 8071304 C1COCCN1CCCNC(=O)CCN2C3=C(C=CC(=C3)Cl)OC2=O 1 1.407 3 4 0 -11.4693188398937 8071297 COC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=CC3=CC=CC=C3N2)OC 1 2.509 3 4 0 -8.10090609224936 8071229 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCC4=CC=C(C=C4)O 1 4.345 2 3 0.237143106919028 8071224 CCN1CCN(CC1)CC2=NN=C(O2)C3=CC=CC=C3 1 1.702 4 1 0 -0.274963691759799 8071206 C1=CC=C(C=C1)N2C(=NC(=N2)N)NCC3=CC=CC=C3Cl 1 3.272 5 0 -1.22057283171921 8071109 C1=CC=C2C(=C1)N(C(=O)O2)CC3=CC(=CC=C3)F 1 3.335 1 2 3.40218701558567 8071103 C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)CC(=O)NCCO)CC4=CC=CC=C4 1 2.25 3 4 0 -18.8736346904533 8071090 CC1(CC2=C(CO1)C3=C(S2)C(=O)N(C(=O)N3CC(=O)NC4=CC=CC=C4)C)C 1 2.032 3 4 0 -16.802684636159 8071050 CC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)O 1 2.697 2 2 -1.32778963712049 8071049 C1=CC=C(C(=C1)C2=NC3=C4C=CC=CC4=NC(=S)N3N2)Cl 1 3.915 4 0 -1.97311518607808 8071017 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CCC(=O)NC3CC3 1 3.542 1 4 -19.9677274974226 8070962 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NCCC(=O)OC 1 0.807 2 6 0 -12.0843152347068 8070960 CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2OC 1 1.855 4 1 0 3.85366861646167 8070952 CC1=C(NC2=C1C=C(C=C2)C(=O)NC3=CC=CC=C3OC)C 1 3.523 2 2 -4.07719925998567 8070950 C1=CC=C(C=C1)C2=NOC(=N2)CNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.802 4 5 0 -5.59975732233236 8070899 CC1=C(NC2=C1C=C(C=C2)C(=O)NC3=C(C=C(C=C3)OC)OC)C 1 3.507 2 3 -5.25400072083308 8070898 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-2.52654028774589 8016786 CCCC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)N[C@@H](C)C(=O)O)(C)C 1 3.364 1 7 0 -17.167634698898 8016735 CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)O)C 1 2.706 2 5 0 -7.72379171691929 8016699 COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC=CC=C3)O)O)OC 1 2.619 0 6 2.70604974678549 8016663 CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)NCCC3=CC=C(C=C3)OC)O)C 1 2.759 1 6 0 -13.6191933666058 8016656 CC1=C(C(=O)OC2=CC3=C(CCC(O3)(C)C)C=C12)CC(=O)NCCCCCC(=O)O 1 3.609 1 6 0 -22.5523305997357 8016642 CC1=C(C(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)N4CCC(CC4)O)(C)C)C 1 2.571 1 6 0 -11.2000663259135 8016641 C1C(=O)NC2=CC=CC=C2N1C(=O)NCC(=O)NCCC3=CNC4=CC=CC=C43 1 1.216 5 3 0 -22.8595742241297 8016637 CC1=C(C(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NC4=CN=CC=C4)(C)C)C 1 3.358 2 5 0 -10.7084766994728 8016566 CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4 1 1.93 2 5 0 -13.3431794474406 8016556 CC1=C(C(=O)OC2=CC3=C(CCC(O3)(C)C)C=C12)CC(=O)N[C@@H](C(C)C)C(=O)O 1 3.454 1 6 0 -20.3525370860002 8016513 CC1=CC=C(C=C1)CNC(=O)COC2=CC(=C3C(=O)CC(OC3=C2)(C)C)O 1 2.941 1 5 -13.7781886546092 8016512 CC1=C(C(=O)OC2=CC3=C(CCC(O3)(C)C)C=C12)CC(=O)NCCCC(=O)O 1 2.697 1 6 0 -22.3397079523216 8016506 CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC(=O)C)OC=C3)OC 1 1.956 0 6 0 -5.68195392604292 8016502 CCC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NC4=CN=CC=C4)(C)C 1 3.368 2 5 0 -11.6700984559579 8016476 CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)NCC3=CC(=CC=C3)OC)O)C 1 2.438 1 6 0 -14.3593459242987 8016475 CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NC4=CN=CC=C4)(C)C 1 2.912 2 5 0 -11.6331155495254 8016387 COC1=C(C=C2CN([C@@H](CC2=C1)C(=O)O)C(=O)CCC3=CNC4=CC=CC=C43)OC 1 3.27 2 5 0 -16.1713938228656 8016382 CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)NCC3=CC=C(C=C3)OC)O)C 1 2.438 1 6 0 -14.2107468784716 8016353 CC1=CC2=C(C=C1)C(=CC(=O)O2)C3=C(C4=CC=CC=C4O3)NC(=O)C 1 3.58 1 4 -0.605393347117916 8016348 C[C@@H](C(=O)OC)NC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2 1 2 3 3 0 -9.10343564725775 8016331 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4)C)C(=C1)O 1 1.877 2 5 0 -10.6187699425973 8016324 CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)NC3=CC=C(C=C3)OC)O)C 1 2.431 1 6 0 -10.2664237955611 8016269 COC(=O)[C@H](CCSC)NC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2 1 2.328 3 3 -16.1660093538358 8016242 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCCC(=O)O)C)C3=C1C(=CO3)C 1 2.554 1 6 0 -17.3522751969975 8016229 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N[C@@H](C(C)C)C(=O)O)C)C3=C1C(=CO3)C 1 3.634 1 6 0 -18.6808440763555 8016224 CC(=O)NC1=CC=C(C=C1)NC(=O)COC2=CC(=C3C(=O)CC(OC3=C2)(C)C)O 1 1.568 2 6 0 -13.023783308452 8016220 CC[C@@H](C)[C@@H](C(=O)O)NC(=O)CC1=C(C2=C(C=C(C3=C2OC=C3C)C)OC1=O)C 1 4.09 1 6 0 -20.5479948291791 8016217 CC1=C(C(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)N[C@@H](C)C(=O)O)(C)C)C 1 2.898 1 7 0 -16.7579855595537 8016199 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCC(=O)NCC(=O)O)C)C3=C1C(=C(O3)C)C 1 1.512 2 7 0 -15.6916944175624 8016194 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N[C@@H](CC(C)C)C(=O)O)C)C3=C1C(=C(O3)C)C 1 4.168 1 6 0 -16.5422613378581 8016184 CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)NCC3=C(C=C(C=C3)OC)OC)O)C 1 2.422 1 7 0 -15.109274130069 8016181 CC1=C(C(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)O)(C)C)C 1 3.354 0 6 -10.7760639927899 8016122 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N[C@@H](CC(C)C)C(=O)O)C)C3=C1C(=CO3)C 1 4.022 1 6 0 -18.3710553881711 8016171 CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4 1 1.96 2 5 0 -10.7248675946541 8016170 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N[C@@H](C)C(=O)O)C)C3=C1C(=CO3)C 1 2.79 1 6 0 -15.3311458836337 8016168 CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)NC3=CC(=CC(=C3)OC)OC)O)C 1 2.415 1 7 0 -13.3552488132447 8016166 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4 1 1.96 2 5 0 -13.4427814497689 8016163 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4)C 1 1.92 2 5 0 -12.5857316209439 8016155 CC[C@@H](C)[C@@H](C(=O)O)NC(=O)CC1=C(C2=C(C=C(C3=C2OC(=C3C)C)C)OC1=O)C 1 4.235 1 6 0 -18.7192007788661 8016151 COC1=CC=CC(=C1)C(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.106 2 3 0 -8.83640655346422 8016092 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)NCCC3=CNC4=C3C=C(C=C4)OC 1 4.057 2 5 0 -15.3554739583258 8016091 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N[C@@H](C(C)C)C(=O)O)C)C3=C1C(=C(O3)C)C 1 3.779 1 6 0 -16.8520500260424 8016069 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N[C@@H](C)C(=O)O)C)C3=C1C(=C(O3)C)C 1 2.936 1 6 0 -13.5023518333207 8016065 CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)NC3=CC(=CC=C3)OC)O)C 1 2.431 1 6 0 -10.0495563050951 8016062 COC1=CC2=C(C=C1)NC=C2CCNC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4 1 3.124 2 5 0 -14.3280795433792 8016045 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N[C@@H](CCSC)C(=O)O)C)C3=C1C(=CO3)C 1 3.118 1 6 0 -21.3344949466989 8016043 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCC(=O)NCC(=O)O)C)C3=C1C(=CO3)C 1 1.366 2 7 0 -17.5204884678755 8016038 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCCC(=O)O)C)C3=C1C(=C(O3)C)C 1 2.7 1 6 0 -15.5234811466844 8016022 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCC(=O)O)C)C3=C1C(=CO3)C 1 2.306 1 6 0 -15.528669794642 8016020 CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4 1 1.877 2 5 0 -6.39129604637742 8016009 CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4 1 1.617 2 5 0 -13.138951479251 8015998 C[C@@H](C(=O)O)NC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2 1 1.775 3 3 0 -8.0109179720765 8015988 COC1=CC=C(C=C1)CCN2C(=O)[C@@H](NC2=O)CCC(=O)O 1 1.12 2 5 0 -9.1148710861616 8015947 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4 1 1.474 2 5 0 -12.5185104699938 8015927 COC1=CC(=CC(=C1OC)OC)C(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.073 2 5 0 -12.3634787713583 8015915 CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)NC3=CC=C(C=C3)CCO)O)C 1 2.164 1 6 0 -8.83553462094823 8015914 CC1=C(C(=O)OC2=CC3=C(CCC(O3)(C)C)C=C12)CC(=O)NCC(=O)NCC(=O)O 1 1.187 2 7 0 -19.1921814775202 8015881 CC1=C(C(=O)OC2=CC3=C(CCC(O3)(C)C)C=C12)CC(=O)N[C@@H](C)C(=O)O 1 2.611 1 6 0 -17.0028388932784 8015790 C[C@H](C(=O)O)NC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CC=CC=C4 1 3.721 3 3 -4.44548872143125 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COC1=CN(N=C1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3 1 3.253 3 2 -0.21740732334234 7992106 CC(C)[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)NC(=O)N 1 -6.8e-002 4 5 0 -30.0829068719266 7991843 CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=CC(=C(C=C3)OC)F 1 2.253 2 4 -13.0059297089816 7990673 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C(C=C(C=C3)O)O 1 2.096 2 5 0 -1.64481138460346 7990486 CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NCC2=CC(=CC=C2)OC 1 2.781 3 4 0 -17.7733803249529 7986481 CC1=CC=C(C=C1)N2C(=O)[C@@H](NC2=S)CSC 1 2.951 2 1 -6.72214504168926 7986442 CN\1CCC/C1=C/2\C(=NN(C2=O)C3=CC=CC=C3)NC(=O)NC4=CC(=CC=C4)Cl 1 3.182 5 2 0 -7.90004592093745 7986407 CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCC(=O)NC3CCCCC3)C)C 1 4.048 3 3 -25.1535721998329 7986253 C1CN(C2=CC=CC=C21)C(=O)COC(=O)COC3=CC=CC=C3F 1 2.643 1 4 -14.0256975524179 7985822 CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)COC(=O)C3=NC=CN=C3 1 1.353 3 6 0 -12.9439583045388 7985755 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2=NC=CN=C2 1 0.379 4 4 0 -16.6054984315579 7985751 C1=CC=C(C(=C1)CN2C=CSC2=NC(=O)COC(=O)C3=NC=CN=C3)Cl 1 1.793 4 3 0 -13.6247086206201 7985595 CCC1=CC(=C(S1)NC(=O)COC(=O)C2=NC=CN=C2)C(=O)OCC 1 1.252 3 5 0 -17.6838947091647 7985581 CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3=NC=CN=C3 1 2.547 3 4 0 -16.1819686117435 7985572 C1=CSC(=C1C(=O)N)NC(=O)COC(=O)C2=NC=CN=C2 1 -0.763 4 4 0 -15.0384031302285 7985530 C1=CN=C(C=N1)C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 1.166 4 3 0 -7.32389131115183 7985491 C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=NC=CN=C4 1 1.95 2 3 0 -6.6048178279141 7985030 C1CC[C@@]2(CCN(C[C@@H]2C1)C(=O)CC3=CC=CC4=CC=CC=C43)O 1 2.881 1 2 -5.7974382187542 7981279 COC1=CC=CC=C1C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.502 1 6 0 -24.6182666403286 7980531 CC1=C(C=CC(=C1)F)NC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 3.1 3 2 -3.35139274372463 7980436 C1=CC=C(C=C1)COC(=O)CNC(=O)CC2=C(C=CC=C2Cl)F 1 3.233 1 3 -14.3041799674911 7979925 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CCOC3=C(C=CC(=C3)C)C 1 2.632 4 4 0 -12.4192664056693 7979818 COC1=CC(=CC(=C1)C(=O)NNC(=O)CCC(=O)C2=CC=CS2)OC 1 1.747 2 5 0 -16.2165566631835 7979658 CC1=CC(=C(C=C1)NC(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32)O 1 2.861 2 3 -7.55850718214517 7978577 CC1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC=C(O2)Br 1 2.13 2 3 -14.2898092014819 7976367 CC1=CC(=C(O1)C)C(=O)NNC(=O)/C=C/C2=CC=C(C=C2)F 1 1.939 2 3 0 -7.70903194905562 7976363 CC1=CC(=C(O1)C)C(=O)NNC(=O)/C=C/C2=CC=CC=C2Cl 1 2.398 2 3 -6.67404768424931 7976309 CC1=CC(=C(C=C1)C)OCCC(=O)NNC(=O)C2=C(OC(=C2)C)C 1 2.322 2 4 -11.7726472733265 7975929 CC(C)N1C(=O)C(=O)N(C1=O)CC(=O)N2CCC3=CC=CC=C32 1 0.973 3 4 0 -14.8259842782907 7975786 CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2C(=O)C(=O)N(C2=O)C(C)C)C 1 1.771 3 6 0 -15.9047044544986 7975134 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)F 1 3.597 2 3 -13.739363926075 7974889 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl 1 4.493 3 2 -2.00456943071907 7974869 COC1=CC=CC(=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.713 3 2 -1.67573854609262 7974863 C1CN(CCN1C2=CC=CC=N2)C(=O)/C=C/C3=CC(=CC=C3)C(F)(F)F 1 3.672 3 1 2.93258300481714 7973622 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)NCC2=CC=C(C=C2)OC)C 1 1.4 3 5 0 -16.8625507335234 7973605 C1=CC=C2C(=C1)N=C(S2)CCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.208 3 3 -15.9797581458994 7973328 C1=CC(=CC(=C1)Cl)CNC(=O)CNC(=O)C2=CC=C(O2)Br 1 2.308 2 3 -12.1670645983656 7972308 CSC1=CC=C(C=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCC3)\C(=O)O 1 3.603 1 4 -10.0929231637807 7972298 C1CCN(C1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC=C(C=C3)Cl)/C(=O)O 1 3.726 1 4 -10.4760414136637 7972196 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)CCC(=O)C2=CC=CC=C2 1 3.164 2 3 -11.6987756896018 7972157 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)CCC2CCCC2 1 3.916 2 2 -12.2885602212019 7972136 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)CNC(=O)C2=CC=CO2 1 1.664 3 4 0 -14.4973683235272 7971587 C1=CC(=CC=C1C(=O)NNC(=O)CNC(=O)C2=CC=C(O2)Br)Cl 1 1.558 3 4 0 -12.5654863941587 7970892 CN(CC1=CC=C(C=C1)F)C(=O)CNC(=O)C2=CC=CS2 1 2.046 2 2 -12.6580850656165 7970565 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CCNC(=O)C2=CC=CC=C2Cl 1 1.836 3 4 0 -18.3825545796649 7970561 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.842 4 4 0 -14.7070836498954 7969446 CC1=CC(=NN1CC(=O)NNC(=O)CCNC(=O)C2=CC=CC=C2Cl)C 1 0.773 5 3 0 -23.2886565946061 7969428 CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)CN2C(=CC(=N2)C)C 1 1.612 4 4 0 -16.6196725169226 7969426 COCCNC1=NN=C(S1)SCC(=O)NC(=O)C2=CC=CC=C2OC 1 1.084 4 4 0 -21.3345133467397 7969384 CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NNC(=O)CN2C(=CC(=N2)C)C 1 1.729 4 3 0 -17.2440833843018 7969356 CC1=CC(=NN1CC(=O)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)C)C 1 2.356 4 3 0 -13.2889031525582 7969338 COCCNC1=NN=C(S1)SCC(=O)NC(=O)C2=CC=CC=C2 1 1.1 4 3 0 -20.8655980230222 7968948 COC1=C(C=C(C=C1)CC(=O)OCC(=O)N2CCCC3=CC=CC=C32)OC 1 3.06 1 5 -15.9513928901272 7987588 CCOC1=C(C=C(C=C1)CN(C)C(=O)[C@H](C)NC(=O)C2=CC=CO2)OC 1 2.082 2 5 0 -12.9726475410943 7987377 C[C@@H](C(=O)NNC(=O)C1=CC=CS1)NC(=O)C2=CC=C(C=C2)Cl 1 2.033 3 3 -12.4229047936519 7968658 CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC2=CSC=C2 1 2.425 1 4 -15.4621709384717 7968129 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)N 1 2.894 4 3 0 -9.20510044007676 7967994 C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N 1 1.496 3 4 0 -12.8577237690168 7967921 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC(=C2)N3C=NN=N3 1 1.452 5 4 0 -20.1251906590421 7965901 COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 2.264 3 4 0 -5.24983724721494 7965409 CN(CC1=CC=CC=C1F)C(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32 1 3.035 2 2 -12.0552808619263 7965397 C1CN(CCN1C(=O)C2=CC=CC=N2)S(=O)(=O)C3=CC(=CC=C3)Br 1 1.854 3 3 0 -18.5731300037597 7965361 CN(CC1=CC=CS1)C(=O)CNC(=O)C2=CC=CO2 1 1.022 2 3 0 -13.8128890888887 7965339 CN(CC1=CC=CS1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.041 2 4 -21.3863608359561 7964795 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NNC(=O)C2=CC=CC=C2Cl)C 1 2.519 3 4 0 -15.571205623939 7964781 C1=CC=C(C(=C1)C(=O)NNC(=O)CC2=CC=CS2)Cl 1 2.524 2 2 -11.9119931851153 7964766 C1=CC=C(C(=C1)C(=O)NNC(=O)CCSC2=CC=C(C=C2)F)Cl 1 3.383 2 2 -8.83789448083695 7964563 C1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC=C(O2)Br 1 1.644 2 3 0 -15.1046241062615 7964473 CCN1CCN(CC1)C(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 1.344 4 2 0 -7.03256814185673 7964060 C1CCN(CC1)C(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.133 2 2 -13.8643810719226 7963357 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC(=CC=C3)Cl)[N+](=O)[O-] 1 3.013 4 4 0 -9.60673303560317 7963347 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=C(C=C3)F)[N+](=O)[O-] 1 2.554 4 4 0 -11.8966286141543 7962662 CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.46 2 4 -11.5367094071326 7962238 C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 3.116 1 4 -5.51672808854814 7961610 C1CC(=O)N(C1)C(=O)COC(=O)CNS(=O)(=O)C2=CC=CC(=C2)F 1 -4.2e-002 2 6 0 -16.6201667862669 7960898 COC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC 1 1.957 2 5 0 -13.0649169759689 7960320 C1=CC=C(C=C1)CCNC(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 2.978 2 3 -13.1574451949525 7960289 COC1=CC=CC=C1CNC(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 2.64 2 4 -15.6178596502203 7960288 CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32)C 1 3.622 2 3 -9.06936253675585 7960162 C1=CC=C2C(=C1)C(=CN2)CC(=O)OCC(=O)NC3=C(C=CS3)C(=O)N 1 1.438 3 4 0 -12.6772442231108 7960043 COC1=CC(=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O)OC 1 2.085 1 5 -5.87529182908398 7958685 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2CCC2 1 2.721 2 2 -9.65536404044365 7958555 C1CN(CCN1C(=O)CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CC(=C3)F 1 2.938 2 3 -22.3841163142439 7958553 C1CC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F 1 1.583 2 3 0 -16.3110240039818 7958302 COC1=CC=C(C=C1)CCNC(=O)CC2=CSC=C2 1 2.623 1 2 -10.8249321990988 7958287 CCOC1=CC=C(C=C1)OCCCC(=O)NCCC2=CC=C(C=C2)OC 1 3.663 1 4 -12.9429756764185 7958162 COCC1=C(OC2=CC=CC=C21)C(=O)N3CCC4=CC=CC=C43 1 3.294 1 3 -5.52169959577512 7956892 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC2=CC=C(C=C2)C(=O)OC 1 3.229 0 6 -15.5054530006276 7954888 CC1=C(SC(=N1)C)C(=O)OCC(=O)NCC2=CC=CC=C2 1 1.619 2 3 0 -16.8019678080685 7954872 CC1=C(SC(=N1)C)C(=O)OCC(=O)NCCC2=CC=C(C=C2)OC 1 1.923 2 4 0 -15.7375226519323 7954832 CC1=C(SC(=N1)C)C(=O)OCC(=O)NCC2=CC=CC=C2OC 1 1.602 2 4 0 -18.4433339948639 7954823 CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=C(N=C(S2)C)C)C 1 2.584 2 3 -11.2248671428062 7954816 CC1=C(SC(=N1)C)C(=O)OCC(=O)N(C)C2=CC=CC=C2 1 1.818 2 3 0 -11.9138506035433 7954621 CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=C(S2)C)C 1 2.018 2 4 -16.8665652724536 7954519 CC1=C(SC(=N1)C)C(=O)OCC(=O)C2=CC(=C(C=C2)OC)OC 1 2.198 1 5 -17.6765249092952 7954461 CC1=C(SC(=N1)C)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F 1 2.145 2 3 -14.6837223659579 7954436 C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=NC=CN=C4N 1 1.742 3 3 0 -7.16709808912918 7954411 C1CC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO 1 1.309 3 3 0 -21.2645146724826 7952977 COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.894 2 5 0 -25.0870621874054 7952646 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] 1 3.139 3 5 0 -5.23588532621043 7951679 CCOC1=C(C=CC=N1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C 1 2.856 3 4 0 -23.1858053611553 7951233 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 1.464 3 5 0 -7.41868753505256 7951224 COC1=CC=CC=C1C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.808 1 6 0 -10.8818049247599 7951074 CC(C)(C(=O)OCC(=O)NCCC1=CC=CC=C1)OC2=CC=C(C=C2)Cl 1 3.945 1 4 -6.80067969586988 7951013 CC(C)(C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=CC=C(C=C3)Cl 1 3.876 2 4 -0.294701433555248 7950707 CCOC1=C(C=CC=N1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 3.127 3 3 -6.98587497268364 7950235 CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)COC(=O)C3=CN=C(C=N3)C 1 1.636 3 6 0 -15.3058648385224 7950188 CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CC=C(C=C2)F 1 1.556 2 3 0 -13.5508086408072 7950186 CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Cl 1 2.015 2 3 -12.4406869756856 7950061 CC1=NC=C(N=C1)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2 1 0.603 3 4 0 -15.9685465918041 7950006 CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)F)F 1 1.762 2 3 0 -13.2378294010681 7950002 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N 1 0.903 4 4 0 -21.1734853859618 7949997 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N 1 1.324 4 3 0 -27.7112631840619 7949980 CC1=NC=C(N=C1)C(=O)OCC2=CC(=C(C=C2OC)Br)OC 1 2.394 2 4 -9.57410741950997 7949947 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3 1 2.728 2 4 -10.0307184796137 7949580 COC1=CC(=C(C=C1)OC)/C=C/C(=O)OCC(=O)NCC2=CC=CO2 1 1.945 1 6 0 -12.443690629635 7949225 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC=NC=C3 1 1.314 3 2 0 -7.30376315051549 7948483 C1CCC2=C(C1)N=C(S2)NC(=O)COC3=CC=C(C=C3)F 1 3.043 2 2 -7.08203510423166 7948302 CCC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)N3CCOCC3 1 4.494 1 2 0.801081285703004 7948233 CC1=C(C(=NO1)C)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F 1 2.646 3 2 -4.44734259285649 7947636 COC1=CC=CC(=C1OC)/C=C/C(=O)C2=CC3=C(C=C2)OCO3 1 3.437 0 5 -1.80094733200713 7946933 C1CC[C@@H]([C@@H](C1)C(=O)NNC(=O)NC2=CC=CC=C2)C(=O)O 1 1.426 3 4 0 -6.30899993657706 7946865 COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)OC(F)(F)F 1 4.718 1 3 -1.42908957203761 7946302 C1C/C(=C\C2=CC=CC=C2[N+](=O)[O-])/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O 1 4.972 2 4 -0.986442653611144 7946312 CCOC1=C(C=C(C=C1)/C=C/2\CCCC3=C(C4=CC=CC=C4N=C23)C(=O)O)OC 1 5.394 1 4 -6.37367564548134 7946085 C1CCC(C1)CC(=O)NNC(=O)C2=CC=C(C=C2)F 1 2.328 2 2 -9.47121479531958 7945759 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCCC3=CC=CC=C3 1 4.007 1 3 4.72137095815677 7944518 COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl 1 2.092 2 4 -15.0692104489647 7944506 C1CC1NC(=O)C2=CC=CC=C2NC(=O)COC3=CC=C(C=C3)Br 1 2.896 2 3 -12.0890138144979 7944501 COC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.131 2 4 -16.5063710503127 7944498 CC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.633 2 3 -12.5459084974518 7944478 C1CC1NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 2.312 2 2 -12.2556521120497 7944313 C1CCC(CC1)NC(=S)NCC2=CC=CC=C2F 1 4.305 2 0 -10.2647193115524 7944116 CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 4.324 3 2 -21.4075836605745 7944024 CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 4.118 3 2 -23.1128645518007 7943994 CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 4.451 3 3 -25.1862956002211 7943589 COCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl 1 1.892 3 3 0 -21.8588121570825 7943416 C1CCC(CC1)NC(=S)NCCC2=CC=C(C=C2)Cl 1 5.085 2 0 -7.54188243926441 7943415 C1=CC=C(C=C1)CNC(=S)NCCC2=CC=C(C=C2)Cl 1 4.81 2 0 -6.56766297063744 7943253 CCCNC(=S)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC 1 4.871 2 2 -15.3587274664726 7943008 C1=CC=C(C=C1)CNC(=S)NCC2=CC(=CC=C2)Cl 1 4.489 2 0 -3.41044673140409 7942984 C1=CC=C(C=C1)CNC(=S)NCC2=CC=CC=C2Cl 1 4.489 2 0 -8.51792142704766 7942522 C1CC1NC(=S)N2CCN(CC2)C(=S)NC3CC3 1 3.003 4 0 -10.0546057103196 7942369 CNC(=S)N1CCC(CC1)CC2=CC=CC=C2 1 3.851 2 0 -6.04094757483349 7942188 CCOC1=CC=C(C=C1)NC(=S)N2CCCC2 1 3.841 2 1 -11.444457421621 7941390 CCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3 1 3.731 5 1 -14.0786177339422 7941084 COC1=C(C=C(C=C1)S(=O)(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-] 1 2.343 3 6 0 -11.5183152466836 7940736 C1=CC(=C(C=C1NS(=O)(=O)C2=CN=C(C=C2)Cl)[N+](=O)[O-])Cl 1 2.599 3 4 0 -5.78891598513702 7939547 C[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)C)NC(=O)C3=CC=CC=C3Cl 1 2.821 3 3 -11.9576892738424 7939270 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=CS3 1 0.908 2 5 0 -16.1767043396948 7938968 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCOCC3)C 1 3.139 2 3 -2.01214950215568 7938432 CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C=NN=N3 1 2.398 5 2 0 -12.7838606139846 7938182 CC1=C(C=CC(=C1)S(=O)(=O)NCCC2=CCCCC2)Br 1 4.303 1 2 -6.19308906312409 7938156 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CCCCCCC2 1 3.251 1 3 -11.6790856009634 7938012 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC=C2Br 1 3.073 1 2 -4.42779152024375 7936857 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CCC3 1 1.301 2 5 0 -16.9486137093186 7936693 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 3.424 2 4 -6.56299375296471 7936680 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)C2CCC2 1 3.036 2 2 -8.11769906718098 7936400 COC1=CC=CC=C1C(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.307 1 5 -15.1866415368513 7935389 CC1=CC(=C(C=C1)C)OCCC(=O)NCCC2=CC=C(C=C2)F 1 4.204 1 2 -8.56831765201852 7935369 COC1=CC(=CC(=C1OC)OC)CCC(=O)NCCC2=CC=C(C=C2)F 1 3.59 1 4 -14.9924477626983 7935357 C1=CC(=CC=C1CCNC(=O)C2=CC=NC=C2)F 1 1.997 2 1 0 -6.30822068660977 7933438 C1CCC(=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl)C1 1 4.749 3 1 -7.61185315720811 7930809 COC1=CC=CC=C1CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.895 1 4 -17.8878009984206 7930059 CC(=C1C=CC(=O)C=C1)NNC2=NN=CC3=CC=CC=C32 1 1.478 4 1 0 1.53878738305917 7930019 C1=CC(=CC(=C1)NC(=O)CC2=CSC=C2)C#N 1 2.19 2 1 -8.74970982613046 7929800 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCC3 1 2.654 2 3 -12.7594382102531 7929772 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3Cl 1 3.804 2 3 -18.487061989771 7929118 CC1=C(C=C(C=C1)NC(=O)CCCOC2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 2.31 2 5 0 -21.1823870592769 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9142951 CC1=C(OC2=CC=CC=C12)C(=O)NCC3=CC=CC=C3CN4CCCC4 1 4.237 2 2 2.57861897489107 9142914 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC3=CC=CC=C3CN4CCCC4 1 4.569 2 3 4.88360306644314 9142844 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCC3=CC=CC=C3CN4CCCC4 1 4.22 2 3 5.9827057361155 9142816 C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3=CC4=CC=CC=C4O3 1 3.751 2 2 -1.42758378877957 9142808 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3CN4CCCC4 1 2.511 4 2 -8.42144628111538 9142639 C1CCN(C1)CC2=CC=CC=C2CNC(=O)COC3=CC=CC=C3C#N 1 2.87 3 2 -9.83090098473661 9142272 CCC1=NOC(=C1C(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)OC)OC)C 1 3.075 3 4 0 -12.0430261591794 9142163 CCC1=NOC(=C1C(=O)NC2=NC3=C(C=CC=C3S2)C)C 1 3.275 3 2 -11.7822165303417 9142007 CCC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C 1 2.835 3 4 0 -23.5820977818549 9141731 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NN=C(N2N)C3CC3 1 1.941 5 3 0 -19.844203976226 9141303 CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)COC3=CC=C(C=C3)C#N 1 2.735 2 4 -14.3194489425501 9141245 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)COC3=CC=C(C=C3)C#N 1 1.885 3 5 0 -12.5447941094529 9141221 CN(CC1=CC=CC=C1)C(=O)COC(=O)COC2=CC=C(C=C2)C#N 1 2.248 2 4 -14.1096069728263 9141193 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)COC2=CC=C(C=C2)C#N 1 1.507 3 5 0 -16.1680960064231 9141157 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)COC3=CC=C(C=C3)C#N)C 1 1.844 3 5 0 -17.3882874536721 9140970 CC(=O)N1CCN(CC1)C(=O)COC(=O)COC2=CC=C(C=C2)C#N 1 -0.118 3 5 0 -14.2192888085413 9140062 CC1=CC=CC=C1OCCC(=O)OCC(=O)NC2CCCC2 1 2.717 1 4 -11.3290111079502 9140055 CC1=CC=CC=C1OCCC(=O)OCC(=O)NC2=CC(=C(C=C2)OC)Cl 1 3.539 1 5 -9.26100287399098 9140054 CC1=CC=CC=C1OCCC(=O)OCC(=O)NC2=C(C=CC=C2F)F 1 3.302 1 4 -8.83381004094217 9140028 CC1=CC=CC=C1OCCC(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C 1 2.699 2 5 0 -14.772394901652 9139968 CC1=CC=CC=C1OCCC(=O)OCC(=O)NNC(=O)C2=CC=CS2 1 2.101 2 5 0 -14.8507073014971 9139919 C1=CC=C(C=C1)CCNC(=O)COC(=O)CCOC2=CC=CC=C2 1 2.733 1 4 -13.9593796423726 9139604 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 2.3 1 6 0 -11.7585976914266 9139575 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2CCCC2 1 2.717 1 4 -11.6674293913761 9139570 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCC2=CC=CC=C2 1 2.898 1 4 -13.7696676802213 9139544 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C 1 3.546 3 4 0 -10.1196821479464 9139521 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC(=O)C2=CC=CC=C2OC 1 2.746 1 6 0 -12.0012083451102 9139484 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC 1 2.865 1 6 0 -17.5986904667234 9139478 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 3.267 1 5 -12.3329797092923 9125973 CC1=C2C(=C(C=C1)C)N(C(=O)C23OCCCO3)CC=C 1 2.377 1 3 -10.3223088995499 9125829 COC1=CC=CC=C1CNC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl 1 4.474 1 3 -3.12124504502587 9124637 CNC(=O)C1=CC=C(C=C1)CN(C)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 1.445 4 3 0 -17.1714265655573 9124218 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C 1 2.689 3 2 -4.70877549354845 9124056 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)OC)OC 1 3.536 2 3 -5.99722626619882 9120668 CN1C(=O)C2=C(N=C(C(=O)N2)CCC3=CC=CC=C3)N=C1N 1 0.793 5 2 0 -7.3369241390867 9120572 CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4 1 4.381 4 2 -9.42430982318963 9120569 CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4)C 1 4.205 4 2 -8.21410481349144 9120568 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4 1 3.422 4 3 0 -7.42908809785627 9120566 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4 1 3.422 4 3 0 -7.54856136179751 9120523 C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5 1 3.82 5 1 -1.66526238577415 9120493 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC4=C(C=C3)OCCCO4 1 1.458 3 5 0 -11.2529548542223 9120485 CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4 1 3.504 4 1 4.01801958697188 9120483 CN(CC1=CC2=CC=CC=C2C=C1)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 4.678 1 1 2.0985545924376 9120470 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CCNC(=O)NC2=CC=CC=C2 1 1.08 4 4 0 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9117488 COC(=O)C1=CC=CC=C1S(=O)(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O 1 3.968 0 7 0 -10.9857203282861 9117486 CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3)OC 1 1.539 3 4 0 -10.2359834628103 9117474 CCN1C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3F)N=N1 1 3.307 4 1 -14.0226609703272 9117452 C1OC2=C(O1)C(=CC(=C2)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3)Cl 1 4.364 1 4 -2.21126620078324 9117446 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)C3=CC=C(C=C3)C)C 1 2.688 4 2 -5.18053512253883 9117445 C1CCC(C1)CCC(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3 1 3.836 2 2 -7.82151561529323 9117425 C1CN(C(=O)N1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl 1 0.638 4 4 0 -24.1085900688152 9117413 COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC 1 3.191 1 5 -14.2905186178064 9117335 CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CN3C2=NS(=O)(=O)CC3 1 1.822 3 3 0 -6.9327464262016 9117301 C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C(C2=O)CCC(=O)N 1 2.783 3 2 -3.06433249649316 9117297 CCCCNC(=S)NNC(=O)C1=NN(C(=O)CC1)C2=C(C=CC(=C2)C)C 1 3.194 5 2 0 -19.2519788828042 9117242 CSCCC(=O)N1CCN(CC1)CC(=O)N2CCCC2 1 -7.e-003 3 2 0 -12.3186785666246 9117233 COCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)N3CCCC3 1 0.732 3 3 0 -9.47555909567607 9117194 CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)N3CCCC3)OCC 1 1.592 3 4 0 -13.9281917234398 9117170 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC=C2 1 2.355 3 2 -14.0703431347402 9117011 C1COC2=C(O1)C=CC(=C2)C(=O)NCCC3=CC=CC=C3F 1 2.934 1 3 -11.7945037717521 9116954 CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)C 1 3.355 3 3 -4.46851204999012 9116969 CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC=CC=C2OC3=CC=CC=C3)N 1 2.558 4 4 0 -6.71619983285307 9117005 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C(=O)C2=CC=C(C=C2)N3C=CC=N3 1 3.784 4 2 -6.37097939959884 9117004 CCN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)N4C=CC=N4 1 3.309 5 1 -0.441115024829127 9116885 CN(CC1=CC=C(C=C1)OCC=C)C(=O)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.006 2 3 -14.7889007168901 9116881 CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC=C(C=C2)N3C=CC=N3)N 1 1.224 6 3 0 -4.88198920846678 9116869 CCOC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)S(=O)(=O)N3CCCC3 1 1.92 2 5 0 -16.7689323329221 9116850 CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.046 2 5 0 -11.1437043246005 9116837 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2CCC2 1 0.899 3 3 0 -11.9837961106322 9116820 C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)C3=CC(=CC=C3)OC(F)F 1 3.154 1 5 -5.85031566846471 9116797 CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 2.549 5 3 0 -15.1859867732855 9116738 CCC1=CC=CC=C1NC(=O)CNC(=O)CNC(=O)C2CCCCC2 1 2.138 3 3 -13.2140779394733 9116690 CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)CC2=CNC3=CC=CC=C32 1 3.153 3 2 -11.3047401793474 9116682 COC1=CC(=C(C=C1)OC)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.98 2 7 0 -6.54929192669319 9116679 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)C2=CC3=C(C=C2)C=C(C=C3)OC 1 3.792 2 3 -10.2289493391288 9116668 COC1=CC=CC=C1CCNC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.465 3 4 0 -15.6077744158383 9116477 C1=CSC(=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)Cl 1 3.394 2 2 2.2210168690996 9116461 CN(CC(=O)NC1=CC=C(C=C1)F)CC(=O)N2CCCC2 1 0.888 3 2 0 -8.58139613345104 9116347 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4 1 1.589 5 4 0 -24.3854132085882 9116340 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)OCC3=CC=C(C=C3)F 1 3.262 0 4 -4.04659546129845 9116295 CCNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3 1 1.385 4 3 0 -15.2082758075499 9116270 CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3 1 2.125 3 4 0 -19.3038119722322 9116260 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCC3=CC(=CC=C3)OC 1 3.259 3 2 -8.09543048234518 9116229 CN(CC1=CC=C(C=C1)SC)CC(=O)NC(=O)NCCC2=CCCCC2 1 3.612 3 2 -7.13296944953731 9116220 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC(=O)NC3=C(C=CS3)C(=O)N 1 0.295 4 5 0 -21.7421578220147 9116200 CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC(=O)CC2=CC=CC=C2 1 1.348 2 5 0 -13.4313936939026 9116177 CCN1C2=C(C=C(C=C2)C(=O)N(C)CC3=CC(=C(C=C3)OC)F)NC(=O)C1=O 1 1.792 3 4 0 -10.1925106121663 9116152 CC(C)COC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2 1 3.055 2 4 -21.6199740755691 9116132 C1COCCN1C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4 1 2.173 3 3 -1.70740099967998 9116120 CC1=C(NC(=C1C(=O)C)C)C(=O)N(C)CC2=CC(=C(C=C2)OC)F 1 2.773 2 3 -5.63692795430908 9116113 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC3)Br 1 1.653 2 4 0 -20.9595196686557 9116101 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)/C=C/C2=CC=C(C=C2)C#N 1 3.247 3 2 -13.2973530199687 9116066 COC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3(CCCC3)NC2=O)Cl 1 2.049 3 4 0 -9.87949097059283 9116001 C1COC2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)OC1 1 2.791 1 3 -10.2609072513356 9115944 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCCC2 1 0.292 3 4 0 -15.5209428002296 9115940 C1CC1NC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4 1 3.708 3 1 -8.21874560754025 9115939 C1=CC=C(C=C1)OCCNC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.589 2 4 -14.7298302158317 9115937 CC(C)[C@@H](C(=O)N(C)CC1=CC=CS1)NC(=O)C2=CC=C(C=C2)F 1 3.16 2 2 -14.9798309368332 9115901 CC1=C(C=CO1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.283 2 4 0 -17.6565771941271 9115876 CC1=CC(=NC(=N1)SCC(=O)NNS(=O)(=O)C2=CC=C(C=C2)C#N)C 1 1.154 5 3 0 -17.4056743496037 9115836 C1CCN(C1)C(=O)C2=CC3=C(O2)C=CC(=C3)Cl 1 2.964 1 2 1.84922866712286 9115821 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=NC=CC=N3 1 0.339 5 4 0 -9.1224123328663 9115794 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CCC2=CC=CC=C2O 1 3.149 2 3 -15.5025322644224 9115771 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 3.933 2 3 -8.65323018720041 9115763 COC1=C(C=C(C=C1)F)CN2CCN(CC2)CC(=O)N3CCC4=CC=CC=C43 1 2.967 3 2 -8.87194375176294 9115742 CN(CC1=C(C=C(C=C1)Cl)Cl)C(=O)C2=CC(=O)C3=CC=CC=C3O2 1 3.944 1 3 -2.03487106316462 9115724 CCC1=CC=CC=C1NC(=O)CNC(=O)CNC(=O)CC2=CC=CC=C2 1 1.711 3 3 0 -14.5856481570167 9115721 CCC1=CC=CC=C1NC(=O)CNC(=O)CNC(=O)C2=CC=CS2 1 1.63 3 3 0 -16.7857072627074 9115704 C1CCC(CC1)(C#N)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 1.475 4 5 0 -11.0035717433474 9115682 CC(C)(C(=O)OCC1=NC(=O)C2=C(N1)C=CS2)OC3=CC=C(C=C3)Cl 1 3.449 2 4 -4.09340799261944 9115661 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=C(ON=C3C)C 1 0.484 5 4 0 -13.2353559068094 9115659 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)C 1 3.607 3 2 -6.54789334117492 9115658 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NCC3=CC(=CC=C3)OC 1 2.755 3 3 -4.1398417457445 9115650 COC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3 1 1.911 1 7 0 -10.4328743940175 9115648 COC1=CC=CC(=C1OC)CCC(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3 1 2.55 1 7 0 -15.2274824182134 9115646 CS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3 1 1.003 2 7 0 -14.7470520424521 9115622 CCOC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3 1 2.26 1 7 0 -11.0555931411941 9115581 CC1=CC(=C(N1)C2=NC3=CC=CC=C3S2)C 1 3.855 2 0 3.27615375188141 9115533 CC1=CC=C(C=C1)C(=O)C(=O)NC2=CC=C(C=C2)C 1 3.472 1 2 -5.459163455593 9115460 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=NC=C3 1 0.451 5 3 0 -9.54003837897942 9115397 CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC3=C(S2)CCCCC3)N 1 2.791 4 3 0 -10.1948946126767 9115374 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CNC(=O)C=C3 1 -0.592 5 4 0 -11.3511886087054 9115367 CCC1=CC=C(C=C1)NC(=O)C2=CC=CN3C2=NS(=O)(=O)CC3 1 1.223 3 3 0 -10.0812517165603 9115295 C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2Cl 1 4.136 3 2 -2.08722660554976 9115291 C1CN(CCN1C(=O)CCl)S(=O)(=O)CC2=CC=CC=C2 1 0.703 2 3 0 -20.0127604075024 9115247 C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)NC(=O)CCl)C3=CC=CC=C3 1 2.012 3 3 -6.56047574785939 9115245 C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCl)OC1 1 0.544 2 5 0 -21.2446655852312 9115192 CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CCCN2C3=CC=CC=C3OC2=O 1 2.96 3 4 0 -14.8905728561398 9115139 C[C@@H](C(=O)OCC1=CN2C=C(C=CC2=N1)Cl)NC(=O)C3=CC=CC=C3Cl 1 3.097 3 3 -13.955818603789 9115123 C1=CC=C2C=C(C=CC2=C1)C(=O)NCC(=O)NCC3=CC=CC=C3F 1 2.795 2 2 -12.0621898102857 9115108 CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC=C(O2)Br)N 1 0.961 4 4 0 -9.23910064456138 9115084 CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)OCC(=O)N(C)C3=CC=CC=C3 1 2.974 3 4 0 -14.7252159756794 9115082 CCOC(=O)N1CCN(CC1)C(=O)COC(=O)CC2=CC=C(C=C2)OC 1 1.178 2 6 0 -10.3685753065326 9115081 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.11 3 5 0 -11.7994906895468 9115049 C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC3=NC(=CS3)C4=CC=CC=N4)F 1 4.247 3 2 5.2801790030927 9115040 CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CCC2=C(ON=C2C)C 1 3.786 2 3 -15.6086819657513 9115037 CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)COC3=C(C=C(C=C3)F)Cl 1 3.793 3 3 -12.0521815856494 9115033 C1=CC(=CC(=C1)Cl)CCNC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 2.494 5 1 -16.8554655067787 9115029 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC4=C(C(=C3)Cl)OCO4 1 2.897 2 4 -6.57023294064511 9115027 COC1=CC(=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC 1 2.194 2 5 0 -19.9386190659064 9115009 C1=CC(=C(C(=C1)F)NS(=O)(=O)C2=CN=C(C=C2)Cl)F 1 2.451 2 2 -3.23839510648027 9114980 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CSC2=NN=CS2 1 1.085 4 3 0 -21.0475357023355 9114979 C1=CC=C(C=C1)C(=O)NCC(=O)OCCOC2=CC(=CC=C2)Cl 1 3.041 1 4 -10.6284034732541 9114945 C1CN(CCN1CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)C#N 1 2.106 3 2 -15.8189663915314 9114937 C1=CC(=C(C=C1Cl)C(F)(F)F)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-] 1 1.933 2 4 0 -11.3396016826103 9114914 CSC1=C(C=CC=N1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3 1 2.084 3 3 -14.5568737025931 9114848 C1=CC(=CC=C1C(=O)NCCC(=O)NCC2=CC=NC=C2)Br 1 1.527 3 2 0 -16.134854692306 9114768 CN(CC(=O)NC1CCCCC1)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 3.481 3 2 -10.1557711395068 9114749 CC1=CC(=NO1)NC(=O)CN(C)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 2.338 4 3 0 -14.6843092697757 9114741 CC1=CC(=C(C=C1)C)OCCC(=O)N(C)CC(=O)NC2=C(C=CC=C2C)C 1 3.908 2 3 -13.6171945308877 9114686 C1CC2=CC=CC=C2N(C1)C(=O)CN3C4=CC=CC=C4N=CC3=O 1 2.334 3 2 -10.5392248399095 9114596 CC1=C(NC2=C1C=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)C 1 1.952 3 5 0 -11.6146759559967 9114589 CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 1.619 2 6 0 -12.1758765552395 9114563 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.106 2 7 0 -14.9730183581445 9114544 C1CN(CCN1C(=O)CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)F 1 2.438 2 4 -19.7633070869383 9114533 CC1=CSC(=O)N1CC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 1.963 3 4 0 -7.92979735534884 9114532 CC1=CSC(=O)N1CC(=O)OCC(=O)C2=C(C=C(C=C2)OC)OC 1 1.446 1 6 0 -10.4382352418014 9114511 COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)OC 1 3.208 2 5 0 -20.0206374813733 9114509 CC1=NC2=CC=CC=C2C(=C1)C(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 3.004 3 2 -4.59244864894469 9114471 C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N 1 0.959 6 2 0 -19.8674047219493 9114450 CC1CCC(CC1)(C#N)N(C)C(=O)CN(C)CC(=O)NC2=CC=C(C=C2)OC 1 2.116 4 3 0 -10.5544024239754 9114448 CC1=CC=CN2C1=NC(=C2)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F 1 3.754 3 2 -7.95333885003342 9114447 CNC(=O)NC(=O)COC1=CC2=C(C=C1)OC3=C2CCCC3 1 2.34 2 4 -8.23812217282431 9114438 CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SC 1 0.709 2 4 0 -16.2611571264923 9114427 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)/C(=C/C3=CC(=C(C=C3)O)O)/C#N 1 2.623 3 3 -7.98143175177505 9114403 C1CCC(CC1)(C#N)NC(=O)COC(=O)CSC2=CC=C(C=C2)F 1 3.002 2 3 -10.1379003811733 9114378 CC1=CC(=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC=CS2)O 1 1.776 2 5 0 -10.4630707596506 9114337 CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN3CCOCC3 1 1.797 3 4 0 -14.9959212445157 9114325 CCOC1=C(C=C(C=C1)CCNC(=O)CCOC2=C(C=CC(=C2)C)C)OCC 1 4.663 1 4 -14.6371148495404 9114293 CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=CC=CC=N2)C 1 1.907 3 3 0 -12.4033616916027 9114290 CCOC(=O)N1CCN(CC1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C 1 0.706 3 6 0 -15.6939400177617 9114254 CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=CC2=O 1 3.945 2 1 2.45913314664124 9114239 C1CC(CCC1=NNS(=O)(=O)C2=CC=CC=C2)(C#N)C3=CC=CC=C3 1 2.994 3 2 -8.34276238464362 9114227 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCNC(=O)C2=CC=CO2 1 1.508 2 5 0 -17.1883101906462 9114074 C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SCCO 1 2.5e-002 2 4 0 -18.5017617153781 9114061 CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CC23CC4CC(C2)CC(C4)C3 1 3.652 2 2 -13.1883501572904 9114060 C1OC2=C(O1)C(=CC(=C2)C(=O)NCCC3=CNC4=CC=CC=C43)Cl 1 3.668 2 3 -9.74715686894749 9114041 COC1=CC=CC=C1OCCNC2=NC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.748 3 4 0 -18.1556505369826 9114006 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC=C(C=C2)C(=O)OC)C 1 3.107 1 6 0 -13.506329219763 9113985 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=COCCO2)Cl 1 0.309 2 5 0 -10.740992672042 9113961 CC(=O)C1=CC(=C(C=C1)OC)CC(=O)NC2CCCCCC2 1 3.11 1 3 -11.9561997079603 9113959 COC1=CC(=C(C=C1)CC(=O)NC2CCCCCC2)OC 1 3.354 1 3 -8.95613614067028 9113958 CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)C(=O)OCC)C 1 1.673 3 5 0 -9.68231765250449 9113818 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC3=CC=CC=N3 1 3.515 2 2 4.16617976004384 9113795 C1CCN(C1)C(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 1.8 2 4 0 -11.7968109140977 9113756 CC1=C(NC2=C1C=C(C=C2)C(=O)OCC(=O)NC3(CCCCC3)C#N)C 1 3.328 3 3 -7.71346432609414 9113741 C1=CNC(=C1)C(=O)COC(=O)C2=NC=CN=C2N 1 0.246 4 3 0 -10.257201792924 9113631 CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C(=O)C 1 3.398 1 4 1.9075549588962e-002 9113562 COC1=CC=CC=C1OCCNC(=O)C2=CC3=C(CCC3)C=C2 1 3.71 1 3 -12.9381942501887 9113502 CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C 1 3.545 3 3 -2.69530215323565 9113215 CCOC1=C(C=CC=N1)C(=O)NCCC2=CC=C(C=C2)OC 1 2.647 2 3 -11.4383892113019 9113213 C1=CC=NC(=C1)COC(=O)CC2=C(C=CC=C2Cl)Cl 1 3.697 1 2 -6.29521876239516 9112918 C1=CSC(=C1)C(=O)NCC(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F 1 1.725 3 4 0 -18.3413172726696 9112899 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CCC(=O)N2CCOCC2 1 0.299 3 4 0 -23.5928227507376 9112856 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4 1 3.029 5 3 0 -11.5440341972692 9112789 C=CCNC1=NC(=CS1)C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl 1 2.371 3 3 -14.5621577132922 9112714 C1=CC=C(C(=C1)CC(=O)OCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-] 1 2.277 2 6 0 -10.4946187212826 9112663 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CC2CCCC2 1 2.122 4 3 0 -12.2544717955319 9112379 C1CN(CCN1C(=O)C2=CC=C(C=C2)NC(=O)N)S(=O)(=O)CC3=CC=CC=C3 1 0.745 4 4 0 -21.3488516102963 9112296 CC1=C(SC(=N1)NCCC2=CC=CC=C2)C(=O)N(C)C 1 2.056 3 1 -6.89012618867474 9112224 CCC1=NOC(=C1C(=O)OCC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F)C 1 3.226 3 4 0 -10.7523609876371 9112164 CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)CC2=CC=CS2)C 1 2.71 2 3 -15.3977215735055 9112028 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl 1 4.726 2 3 3.40181667991967 9112007 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC3=C(C=C(C=C3)Cl)Br 1 3.272 1 4 -2.01585833897689 9111971 COC1=CC(=C(C=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)Cl)N 1 1.632 2 6 0 -11.3504320708876 9111929 C1=CC=C(C=C1)CNC(=O)COC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 1.135 2 4 0 -12.2054752414474 9111921 C1=CC(=CC=C1CCNC(=O)COC(=O)C2=NC=CN=C2N)Cl 1 1.234 4 3 0 -13.2756577709065 9111878 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NC(=O)NC2CCCC2 1 2.983 2 5 0 -11.5023016942708 9111423 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)C)C 1 2.63 3 4 0 -20.3553319987916 9111326 CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)N 1 2.071 2 6 0 -8.93232630192633 9111282 C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.147 4 6 0 -12.5066760843673 9111207 CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)COC(=O)/C=C/C2=CC=CS2)C 1 3.261 2 4 -15.0369824009239 9111195 CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)C2=CC3=C(S2)CCC3)C 1 3.602 2 3 -12.4357113812307 9111153 COC1=C(C=C(C=C1)CNC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC 1 3.466 2 4 -12.358231852937 9111151 C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)NCC3=CC=C(C=C3)F)Cl 1 3.704 2 2 -6.93147418755499 9110830 CC1=C(C(=NN1CC(=O)N(C)C)C)S(=O)(=O)N2CCOCC2 1 -1.022 4 4 0 -20.8069392523885 9110823 CN(C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O)C3(CCCCC3)C#N 1 1.739 4 4 0 -11.7219178315438 9110688 CCOC1=C(C=C(C=C1)CCNC(=O)C2=NC=CN=C2)OCC 1 1.734 3 3 0 -15.6064980671239 9110686 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC3=C(C=C2)N=CN3)C 1 1.905 4 3 0 -13.494958721303 9110677 COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 1.825 2 4 0 -19.4014065598038 9110656 CN(CC1=CC(=CC=C1)OC)C(=O)CCNC(=O)C2=CC=CO2 1 1.514 2 4 0 -14.1558831774036 9110637 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)NNC(=O)COC3=CC=CC=C3Cl 1 1.586 4 4 0 -14.696361245859 9110586 C1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3 1 2.872 2 4 -21.2975776125747 9110597 C1COC2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3C#N)OC1 1 2.177 2 4 -10.7896457160251 9110529 C1=CC(=NC(=C1Cl)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)Cl 1 1.926 3 4 0 -14.9595939199019 9110510 CC1=CSC(=O)N1CCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 1.16 3 4 0 -12.7068076857178 9110262 C1=CC=C(C=C1)C(=O)COC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.152 2 5 0 -19.0253850797874 9110092 CN1C(=NN=C1SCC(=O)NNC(=O)C2=CC=CC=C2F)C3=CC=CC=C3OC 1 2.49 5 3 0 -18.0870445859492 9109839 CSC1=CC=CC=C1NC(=O)COC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 1.669 2 4 0 -13.0791241353481 9109824 C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N3C=NN=N3 1 1.828 4 3 0 -23.1954958290017 9109777 C1CCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3F 1 2.398 2 3 -8.44476017084184 9109753 CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C 1 0.686 2 7 0 -18.1152318217904 9109692 CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.736 2 4 0 -21.3260435382852 9109466 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)CC4=CC=C(C=C4)C#N 1 1.758 5 2 0 -9.15363374705151 9109324 CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)N2CCOCC2)C3=CC=CC=C3 1 2.211 2 4 -14.4603774997834 9109279 COC1=CC=CC=C1S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC3CCC(CC3)O 1 2.137 2 5 0 -12.3358475541372 9109275 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(CCC3)C=C2 1 3.716 3 2 -12.9110693583962 9109202 CC1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C 1 1.91 2 3 0 -14.3793016167733 9109021 CC1=CN=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.864 3 5 0 -16.5179919116459 9109008 C1CN(CCN1C2=CC=CC=N2)C(=O)/C=C/C3=CC(=C(C=C3)Cl)C(F)(F)F 1 4.336 3 1 -1.27443037441932 9109006 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.711 4 3 0 -9.92457745333381 9108979 CC1=C(SC=C1)CN(C)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.325 3 3 -5.62660582913238 9108965 CC1=NC(=C(C=C1)OCC2=CC=CC=C2C)[N+](=O)[O-] 1 3.448 2 3 -3.71031333803991 9108961 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O 1 0.891 3 5 0 -21.1894516473662 9108771 C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 1.29 6 3 0 -23.6353343077676 9108665 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCC3=CC(=C(C=C3OC)OC)OC 1 3.637 1 6 0 1.01551520904569 9108611 COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C=NN=N3)OC 1 1.795 4 5 0 -21.0293912248965 9108479 C1CCN(C1)C2=C(C=C(C=C2)Cl)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 3.117 4 2 -8.73576265350545 9108379 C1CC(CCC1NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3Cl)O 1 3.83 2 2 -9.27334355506752 9108087 CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3 1 2.253 0 7 0 -20.8278804402586 9108004 C1COCCN1C(=O)COC(=O)/C=C/C2=C(C(=CC=C2)Cl)Cl 1 2.435 1 4 -5.98831175601788 9107649 C1=CC2=C(C=C1C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)F)SC=N2 1 3.275 2 3 -10.2042926849754 9107521 CN(C)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 1.635 3 4 0 -17.1102244218782 9107463 CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)CN2C=NC3=CC=CC=C3C2=O)C 1 1.7 4 4 0 -16.3133526630804 9107412 CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)C2=CC3=C(C=C2)OCO3)C 1 2.49 2 5 0 -12.9746616337779 9107408 CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)C2=CC3=CC=CC=C3C=C2OC)C 1 3.613 2 4 -11.1852784711076 9107403 CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)C2=NC3=CC=CC=C3C=C2)C 1 3.336 3 3 -12.4615418503435 9107360 CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(S2)Cl 1 3.666 1 3 -6.7201625138194 9107269 CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCC2(CCCCC2)N3CCCCC3 1 3.341 2 3 -14.2019127269167 9107187 C1CCN(C1)C(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F 1 2.833 1 3 -2.88838602468611 9107155 C=CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3 1 3.579 2 4 -9.2126375858064 9107103 COC1=C(C=CC(=C1)SC)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3 1 2.351 3 4 0 -10.3268508476177 9107099 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CN=C(C=C3)OC 1 2.051 3 4 0 -20.4608676863747 9107096 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3CCCC3 1 2.275 2 4 -24.8267725541512 9106971 CC1=CC(=CC(=C1O)C)CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N 1 2.976 2 4 -12.3018695734378 9106954 C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)C2=CC=CN2 1 2.794 1 3 -4.25912831748095 9106949 COC1=CC=CC=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.83 1 5 -20.207761972003 9106946 C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)C3=CN=C(C=C3)Cl 1 2.071 2 4 -8.13722395137059 9106883 CC1=CC=C(S1)C(=O)NC2=NC=C(S2)C 1 1.856 2 1 0 -4.37380925193794 9106867 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CCC3=CC=CC=C3 1 3.055 2 4 -7.63436752209843 9106592 COC1=CC=C(C2=CC=CC=C21)C(=O)N3CCC(CC3)C(=O)O 1 2.237 1 4 -6.39462736853569 9106498 CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3 1 2.347 4 3 0 -13.6032646820026 9106442 CC(=O)NCCSC1=NC2=C(C(=O)N1CC=C)SC(=C2)C3=CC=CC=C3 1 3.808 3 2 -22.2232094587587 9106429 CN(C1CCCCC1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)N 1 1.239 3 3 0 -11.9750250916941 9106421 C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 4.333 2 5 0 -15.9335472265332 9106417 C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(C=C2)F 1 2.157 1 5 -15.7125394374695 9106349 CN(CC1=CC=CC=C1OC)C(=O)CN2CCN(CC2)C(=O)C3=CC=CS3 1 1.987 3 3 0 -15.6746636814785 9106203 CC1=CC(=C(C=C1)OCC(=O)N(C)CC(=O)NCC2=CC=CO2)Br 1 2.139 2 4 -15.8873499889159 9106115 COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)C2=CC=CC=C2 1 1.943 2 8 0 -14.9837041866898 9105944 CC1=CC=C(C=C1)C2=NOC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 2.468 4 4 0 -2.82646844375523 9105795 C1CN(CCC1CC2=CC=CC=C2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.647 3 3 -10.205417071561 9105696 CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=CN4C3=NS(=O)(=O)CC4 1 2.327 3 4 0 -7.74100083271304 9105556 CCNC(=O)CSC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3 1 3.008 3 2 -23.6466279585264 9105528 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N=C2N(C=CS2)C 1 2.091 3 3 -8.05723338241796 9105468 CC1=CC(=C(C=C1)C)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 3.985 2 5 0 -4.36648248077047 9105342 CN(CC1=CC=C(C=C1)F)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.55 3 4 0 -19.1521730269336 9104968 CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)NC2=CC3=C(CCC3)C=C2 1 3.441 2 3 -15.910579997413 9104933 C1=CC=C(C(=C1)CC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])F 1 1.713 3 6 0 -16.0945013302969 9104909 CC1=CC(=CC(=C1O)C)CNC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C 1 2.179 2 5 0 -16.8550110925516 9104903 CC1=CC(=NC2=NC(=NN12)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C 1 2.969 6 1 0 -10.4117523748171 9104897 CN(CCOC1=CC=C(C=C1)OC)CC(=O)NC2=CC=CC=C2SC 1 3.114 2 3 -10.0428510628891 9104728 CC1=CC=CC=C1CNC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3 1 3.474 2 3 -22.2289852504761 9104680 CC1=CC(=C(C=C1)NC(=O)CSC2=NC=CC=N2)[N+](=O)[O-] 1 2.131 4 3 0 -10.6421443564707 9104642 C1CN(CCC1C(=O)OCC(=O)NCC2=CC=CC=C2)C3=NC=C(C=C3)C(F)(F)F 1 2.673 3 3 -4.44078102699198 9104614 CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.41 2 2 -0.817884169488922 9104572 CC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4CC4 1 3.772 4 1 -12.4547311696335 9104487 CC1=CC=CC=C1CNC(=O)C2=NC3=CC=CC=C3C=C2 1 3.722 2 1 -10.6538195135057 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CCCN(CC1CC1)C(=O)COC(=O)C2=C(C3=C(O2)C(=CC=C3)F)C 1 3.93 1 4 -3.45012601386832 9104078 CC(=C1C=CC(=O)C=C1)NNC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.071 4 3 0 -15.24708672149 9103925 CC1=C(C=C(C=C1)C(=O)N=C2N(C=CS2)C)C 1 2.683 2 1 -9.31933989754719 9103882 C1CCC(CC1)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 2.948 3 3 -2.76289706074458 9103870 CC1=CC(=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(S2)Cl)O 1 2.073 2 4 -2.81842228957705 9103834 CC1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 3.153 3 3 0.318356960698102 9103682 CC1=CC(=C(C=C1)C)OCC(=O)N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C4CC4 1 4.281 3 3 -5.61139464038994 9103676 COC1=CC=CC=C1OCC(=O)N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C4CC4 1 3.292 3 4 0 -10.3261332511661 9103658 CC1=CC(=CC=C1)OCC(=O)N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C4CC4 1 3.795 3 3 -5.27966639822267 9103627 CCOC1=C(C=C(C=C1)NC(=O)CCC2=C(ON=C2C)C)OC 1 2.303 2 4 -23.6351031856629 9103625 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NNC(=O)C3=CC=CC=C3O 1 2.454 2 4 -3.94868575955766 9103607 C1CC1C2=NN=C(N2N)SCC(=O)NC3=NN=C(O3)C4=CC=CC=C4 1 1.281 7 2 0 -11.7157669922891 9103592 CN1C=CSC1=NC(=O)C2=CC=CC=C2OC(F)F 1 2.516 2 2 -9.10714724213972 9103271 CCOC1=C(C=C(C=C1)NC(=O)COC2=CC3=C(CCC3)C=C2)OC 1 3.823 1 4 -13.2845477242077 9102753 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCOC3=CC=CC=C3 1 2.414 3 5 0 -8.88043023251727 9102748 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2OC)S(=O)(=O)N3CCCCC3 1 3.118 2 4 -17.9341675086411 9102614 CC1=CC=C(O1)CN(C)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 1.565 3 3 0 -12.6344107196657 9102552 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCCOC3=CC(=CC=C3)Cl 1 2.521 2 5 0 -5.3573627780486 9102475 CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)COC(=O)CC2=CC=CS2)C 1 2.828 2 4 -17.9431888149897 9102460 C1CC2=CC=CC=C2N(C1)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.964 3 4 0 -28.2405824127547 9102306 CC1=C(OC2=CC=CC=C12)C(=O)N(CC3=NN=C(O3)C4=CC=CC=C4Cl)C5CC5 1 4.555 3 3 2.73052947228592 9102304 C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)C3=C(C=CC=C3Cl)F)OC1 1 2.962 1 5 -10.8375349209349 9102294 C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)C3=C(C=CC=C3F)F)OC1 1 2.503 1 5 -11.0681113796439 9102168 CC1=CC=CC=C1CC(=O)OCC(=O)NCC(=O)NC2=C(C=C(C=C2C)C)C 1 3.361 2 4 -16.6326479998424 9101469 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(NN=C3C)C)C 1 1.375 4 4 0 -16.2776672115308 9101457 CC1=CC(=C(C=C1NC(=O)CN(C)CC2=C(C=C(C=C2)OC)OC)OC)[N+](=O)[O-] 1 2.871 3 6 0 -9.00538508078807 9101363 CN1C=CSC1=NC(=O)C2=CC=C(C=C2)CS(=O)(=O)C 1 1.244 2 3 0 -16.0850481342039 9101322 CC(=O)C1=CC=CC=C1NC(=O)CCNC(=O)C2=CC=CO2 1 1.057 2 4 0 -17.740683829546 9101290 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC3=CC=CC(=C3)C#N 1 2.188 4 3 0 -22.1651255106072 9101240 CCCCOC1=C(C=C(C=C1)C(=O)N=C2N(C=CS2)C)OC 1 3.007 2 3 -15.7264261005507 9101219 CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 3.409 1 5 -12.3138156123752 9101213 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.227 2 5 0 -9.17462549951741 9101159 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 2.457 6 2 0 -16.2757818228244 9100924 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CCN(CC(=O)NC1=CC=CC=C1OC)C(=O)/C=C/C2=CC=CS2 1 2.634 2 3 -14.6067977384467 9094985 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N(CC3=CC=CO3)CC4=CC=CS4 1 4.397 1 4 2.8715339540328 9094642 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N(C)CC3=CC=C(C=C3)OC(F)F 1 4.697 1 4 10.0189648344118 9093972 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.585 2 5 0 6.91072010203147 9093910 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC3=C(C=C2)OC4=C3CCCC4 1 2.974 2 5 0 -8.42587230388343 9092269 CCN(CCNC(=O)C1=CC=C(C=C1)C#N)C2=CC=CC(=C2)C 1 3.562 3 1 -8.89577755564669 9091993 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC=C(O2)C3=CC=CC=C3Cl 1 3.733 2 4 -1.73707826887427 9087050 C1CN(CCN1C(=O)CN2CCSC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.114 3 4 0 -23.8329033804948 9087029 C1CN(CCN1C(=O)CN2CCSC2=O)S(=O)(=O)C3=CC=CC=C3 1 0.449 3 4 0 -26.5509117103178 9085542 CC1=C(OC2=C1C=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)N=C(S4)C 1 4.246 2 2 7.43214055406164 9083867 CC1=C(C=C(C=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)F 1 2.544 3 3 -17.5287660640289 9083865 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC(=CC=C3)F 1 2.058 3 3 -18.1191881003524 9083795 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC=CC(=C3)C#N 1 1.732 4 3 0 -21.8106569964391 9083783 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=C(C=C(C=C3)F)F 1 2.264 3 3 -18.9621057518614 9083780 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=C(C=CC(=C3)Cl)C#N 1 2.396 4 3 0 -19.7522864087382 9083776 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC(=C(C=C3)F)F 1 2.264 3 3 -18.4363342011412 9083514 CC1=C(C=C(C=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)F 1 3.001 3 3 -17.883234578197 9083512 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC(=CC=C3)F 1 2.514 3 3 -18.4736566145205 9083507 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC=CC=C3F 1 2.514 3 3 -20.839049373504 9083464 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC=CC(=C3)C#N 1 2.188 4 3 0 -22.1651255106072 9083287 CC1=C(C=C(C=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)F 1 1.771 3 4 0 -19.8414172996467 9082192 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C1=CC=C2C(=C1)C=NN(C2=O)CC3=CC(=C(C=C3)Cl)Cl 1 3.971 2 1 1.65826393305027 8933838 C1CN(CCC1C(=O)N)C(=O)C2=CC(=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O 1 1.334 3 4 0 -5.82140565319252 8933823 COC1=CC=CC=C1C(=O)NCC(=O)NC2=CC3=C(C=C2)OCO3 1 1.426 2 5 0 -15.9293321497002 8933819 C1CC1C(=O)N2CCN(CC2)C3=CC=C(C=C3)O 1 1.724 2 2 0 -2.47609848202494 8933818 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CCOC3=CC=CC=C3 1 3.214 1 4 -11.2934654134202 8933814 C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)CCC(=O)C3=CC=CS3 1 2.492 3 2 -4.60394038101521 8933759 CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=NC=CC=N3 1 2.231 4 2 6.08247614891805e-002 8933703 CC1=C(C(=CC=C1)OCC(=O)OCC(=O)N2CCCC3=CC=CC=C32)C 1 3.866 1 4 -10.3806991536784 8933697 CCOC1=C(C=CC(=C1)C(=O)NCC2=CC=CC=C2)OCC(=O)N3CCOCC3 1 1.891 2 5 0 -21.3469580895051 8933682 CC(=O)C1=CC2=C(C=C1NC(=O)CC3=CSC=C3)OCO2 1 1.819 1 4 0 -12.7949774575323 8933679 CC1=NC=C(N=C1)C(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC(C)C)N 1 0.463 6 3 0 -16.7468863998667 8933650 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=NC=CN=C3 1 0.252 6 3 0 -11.4408242582383 8933630 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=CS3 1 2.078 4 3 0 -10.2684122985875 8933617 CC(C)CC1=NN=C(S1)NC(=O)CCNC(=O)C2=CC=CO2 1 1.427 4 3 0 -16.5986052320612 8933590 CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N 1 1.101 3 4 0 -20.8790567329506 8933589 C1=CC=C(C=C1)COC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O 1 4.005 1 5 -7.94245410417544 8933549 CCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3 1 1.957 3 4 0 -24.1908445653394 8933548 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)Cl 1 1.44 4 3 0 -19.0765327304266 8933544 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=CC=CS3 1 0.432 3 5 0 -27.6523264606475 8933527 C1CC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 1.675 3 5 0 -15.7942714407405 8933513 C1=CC(=CC=C1CCNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl 1 2.809 3 4 0 -15.1671669781817 8933506 CCN(CC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 3.696 2 3 -22.5463645391432 8933469 CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C(=O)OC 1 1.478 1 6 0 -21.2588125191146 8933457 CC1=CC(=CC(=C1S(=O)(=O)NNC2=NC(=CC(=N2)C)C)C)C(C)(C)C 1 3.383 4 2 -1.1960762548517 8933454 CC1=C(C(=NN1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F 1 0.608 4 4 0 -15.6834901613139 8933449 CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NNC(=O)C2=CC=CS2)C 1 2.13 2 5 0 -12.6115036457427 8933305 COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=C(C=CC=C2Cl)Cl)OC 1 3.624 1 5 -16.2601583174545 8933304 COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=C(C=C(C=C2)Cl)Cl)OC 1 3.624 1 5 -12.0436102970538 8933262 C1CN(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)F)C3=NC=C(C=C3)C(F)(F)F 1 3.491 2 3 3.32878170451231e-002 8933226 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NNC(=O)C2=CC=NC=C2 1 3.77 3 3 -10.6098610616319 8933212 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)O 1 0.819 2 4 0 -21.4181815170798 8933191 CC1=CC=CC=C1OCCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.133 2 5 0 -6.4143376879819 8933132 CCC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 4.228 2 3 -0.639253678136378 8933114 CCCOC1=C(C=C(C=C1)C(F)(F)F)NS(=O)(=O)C2=CN=C(C=C2)Cl 1 3.839 2 3 -1.74143057572236 8933113 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2)C 1 1.839 3 3 0 -5.19381263154368 8933112 CN1C=CC(=N1)NS(=O)(=O)C2=C(C=CC(=C2)Br)Br 1 3.003 3 2 -3.54310768593677 8933084 CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CN3CCN(CC3)C 1 2.191 4 2 -11.4457073493158 8933071 CCCC1=CC=C(C=C1)S(=O)(=O)N(C)S(=O)(=O)C2=CC=C(C=C2)F 1 3.702 1 4 5.90723340790915e-002 8932998 CC1=CC=C(C=C1)N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4N=N3 1 3.919 7 1 0 -27.7905958278217 8932874 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CC3 1 1.372 3 4 0 -20.6044384909149 8932872 C1=CC2=C(C=C1NC(=O)COC(=O)C3=NC=CN=C3N)NC(=O)N2 1 -0.896 6 4 0 -20.809045695203 8932841 COC1=CC=C(C=C1)S(=O)(=O)NCCCCOC2=CC=C(C=C2)Cl 1 3.663 1 4 -4.13608107090933 8931908 CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 1.95 4 4 0 -12.0233908571361 8929562 CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)COC3=CC=CC=C3C4=CC=CC=C4 1 3.461 3 3 -11.2540140225836 8926871 CNC(=O)CSC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 1.97 3 5 0 -10.8270946730521 8925411 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Cl 1 2.602 1 5 -8.71203998679419 8925328 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NCC2=CC=CC=C2OC 1 1.561 2 6 0 -18.6801540404039 8925144 C1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)/C=C/C3=CC=CC=C3 1 1.664 3 5 0 -10.5399518944013 8924857 CC1=CC=CC=C1OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.603 2 4 -20.1347030556043 8924267 C1CC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.272 3 5 0 -20.0125696174493 8924146 CC1=CC(=CC(=C1)OCC(=O)NC2=NC(=CS2)C3=CC=CC=N3)C 1 3.644 3 2 0.516654481299572 8924029 CC1=C(OC2=CC=CC=C12)C(=O)NC3=NC(=CS3)C4=CC=CC=N4 1 3.917 3 2 8.10791641668671 8922756 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2CCCC2)N 1 2.196 4 3 0 -8.36476645746969 8922754 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2CCC2)N 1 1.739 4 3 0 -8.4302156843676 8919134 CC(C)N(CCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C(C)C 1 3.568 4 2 -10.1186708493701 8918655 CCCCC1=NN=C(S1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C 1 3.993 3 3 -0.915357293481926 8918599 CC1=CC(=C(C=C1)C)OCC(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C 1 3.784 3 4 0 -9.27710994343566 8918497 CC(=O)C1=C(N=C(S1)NC(=O)CC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3 1 3.592 2 4 -8.69235087702086 8918002 CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2CCCC2)N 1 1.004 4 3 0 -6.6286120259199 8917416 CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(=O)C3=C(N(C(=C3)C)C4CC4)C 1 3.222 4 2 -11.7497388729074 8917300 CC1CCN(CC1)C(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 3.202 5 1 -20.6606920777346 8917283 COC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 3.394 5 2 0 -20.9190875902855 8914485 CCCN1C2=CC=CC=C2N=C1NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 3.722 4 2 -14.1710481028051 8913886 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC3=CC=CC=C3O2)N 1 2.922 4 4 0 -3.97510561495772 8913855 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2CCCC2)N 1 2.584 4 3 0 -9.57244961840041 8913492 CC1=CC=CC=C1OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 3.059 3 4 0 -13.0696322267388 8912539 C1CCC(CC1)NC(=O)NC(=O)COC(=O)COC2=CC=CC(=C2)C(F)(F)F 1 3.161 2 5 0 -9.63442494079971 8912239 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)C2=C(N(C(=C2)C)C3CC3)C)C 1 3.829 1 4 -12.3452515575567 8912174 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)N2CCC3=CC=CC=C32)C 1 3.41 1 4 -13.850677955672 8912106 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C 1 3.371 2 5 0 -6.91151239980086 8904577 CC1=CC(=C(C=C1NC(=O)CN2CCC(CC2)CC3=CC=CC=C3)OC)[N+](=O)[O-] 1 3.978 3 4 0 -5.91743722054974 8904114 CC(=O)N1CCN(CC1)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 1.46 2 3 0 -9.45046314105921 8903122 CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC(=O)NC3=C(C=C(C=C3)C)C 1 3.585 6 2 0 -13.3649544832251 8903073 C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)O)C(F)(F)F 1 3.537 0 5 -6.94248753460093 8903062 CC1=NN=C(O1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl 1 1.25 4 4 0 -14.5192745902635 8902979 C1CCN(CC1)NC(=O)CC2=CC=CC=C2 1 1.704 2 1 0 -6.23060374645138 8902909 C1CCC(C1)C(=O)NC2=CC3=C(C=C2C(=O)O)OCCO3 1 2.036 1 5 -4.54746660289018 8902732 C1=CC(=CC(=C1)Cl)OCCOC(=O)C2=CC3=C(C=C2)N=CS3 1 4.065 1 3 -7.8878682580956 8902712 COC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)C2=CC=CC3=CC=CC=C32 1 2.893 1 5 -11.5854512413202 8902708 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N 1 1.357 3 6 0 -18.8786718331643 8902671 CC1=CC=C(S1)C(=O)CCC(=O)N(C)CC(=O)NC2=C(C=C(C=C2C)C)C 1 3.393 2 3 -15.1478736231105 8902638 C1CC1NC(=S)N=C2N(C=CS2)CC3=CC=CC=C3 1 3.209 3 0 -9.76622795242458 8902545 C1=CC=C(C=C1)CC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N 1 1.408 3 5 0 -16.3846065498539 8902540 CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 2.689 1 5 -18.135884276607 8902468 CCC1=CC=CC2=C1NC=C2C3=CSC(=N3)NCC=C 1 3.963 3 0 -1.40677746056058e-002 8902381 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.871 4 3 0 -3.93024527644204 8921617 CC1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)OC)S(=O)(=O)N3CCCCC3 1 3.125 2 4 -21.2100613979945 8902135 CC1=CC=C(C=C1)OCCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)N4CCOCC4 1 2.884 3 4 0 -6.4905663682992 8902035 CCC(CC)(C#C)NC(=O)C1=NN(C(=CC1=O)C)C2=CC=CC=C2Cl 1 5.026 3 2 -7.51669872026796 8901980 CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC=C(C=C3)F 1 3.835 2 4 -4.1272511466497 8920954 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCCC2 1 1.872 2 4 0 -12.794942294178 8901795 CC1=C(C=C(C=C1)C(=O)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-] 1 3.871 4 3 0 -5.63264896799656 8901737 C1=CC(=CC=C1C(=O)OCC(=O)NC2=NC=C(C=C2)Cl)[N+](=O)[O-] 1 2.269 3 5 0 -8.70791869403633 8901422 CCOC1=C(C=C(C=C1)C(=O)NNC(=O)CCNC(=O)C2=CC=CO2)OC 1 0.89 3 6 0 -21.2737114053635 8901104 CCCCNC(=O)CN1C(=C(C(=N1)C)S(=O)(=O)N2CCOCC2)C 1 0.101 4 4 0 -29.3441032758375 8901092 CC(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O 1 3.853 0 6 -10.6649766109381 8900999 CN(CC1=CC=CC=C1)CC(=O)NC(=O)NC2=CC=CC=C2F 1 2.525 3 2 -3.89574303034129 8900963 C1=CC=NC(=C1)C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.751 4 6 0 -16.0469431743143 8900952 COC1=C(C=C(C=C1)CCNC2=C(C=CC=N2)C#N)OC 1 2.778 3 2 -5.79069581097905 8900732 C1CN(CCN1C2=CC=CC=N2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 2.318 4 2 -9.5714903472595 8900633 C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 1.71 4 4 0 -9.22333914176833 8900390 CN(C)C1=NC(=CS1)C2=CN(C3=CC=CC=C32)CCC#N 1 2.794 4 0 -2.47447983836752 8900354 C1CCC(CC1)NC(=O)NC(=O)COC(=O)CC2=CC=CC=C2 1 2.418 2 4 -12.9753132039483 8900316 C1=CC=C(C=C1)CC(=O)OCC(=O)NCCNC(=O)COC(=O)CC2=CC=CC=C2 1 1.378 2 6 0 -13.3112711280511 8900126 CC1=CC(=NC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.067 3 3 -16.8981717694191 8900131 CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3F 1 2.045 4 3 0 -17.7335799671977 8900108 CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F 1 2.656 2 4 -17.3021461490459 8900062 CCOC(=O)N1CCN(CC1)C(=O)COC(=O)CC2=CC=C(C=C2)Cl 1 1.859 2 5 0 -8.20465335543672 8899935 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CSC2=NC(=CS2)C 1 1.891 3 3 0 -22.8776405128255 8899831 CC1CCC(CC1)N(C)C(=O)CN2C(=C(C(=N2)C)S(=O)(=O)N(C)C)C 1 1.4 4 3 0 -15.2495766437368 8899316 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N(C)CCOC3=CC=CC=C3 1 3.396 2 4 -18.8516855821671 8899214 C=CCNC(=O)CSC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3 1 3.276 3 2 -27.2678025808515 8899177 CC(C)SC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3 1 4.326 2 1 -12.599376998375 8898403 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC=CC=N2)N 1 0.862 5 3 0 -13.8874136379466 8898031 CNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2OCC3=CC=CC=C3 1 3.389 2 3 -11.0745853360695 8897907 CC(C)C1=CC=CC=C1NC(=S)NCC2(CCCCC2)N(C)C 1 5.559 3 0 -7.01033184927171 8897727 CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=CC(=C2)Cl)N3CCCCC3 1 3.641 3 2 -14.2162833225169 8897416 CCOC1=C(C=CC=N1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.428 4 3 0 -19.7424384546892 8897067 C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N 1 3.074 3 2 -13.7509103211467 8897027 C1CC1NC(=O)C2=CC=CC=C2NC(=O)CN3CCC4=CC=CC=C4C3 1 2.312 3 2 -16.5592292161247 8896869 COC1=C(C=C(C=C1)CNC2C3=CC=CC=C3C4=CC=CC=C24)OC 1 4.219 1 2 -2.06883777154958 8896856 CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CNC3=CC=C(C=C3)OC 1 2.356 2 4 -10.3111707545949 8896769 CCC1=CC=CC=C1OCC(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.773 4 2 0 -4.42879821596043 8896393 CC1=C(C(=CC=C1)NC(=O)CNC(=O)CN2CCN(CC2)C)C 1 0.945 4 2 0 -8.16176376299227 8896319 CN(C)S(=O)(=O)C1=CC=CC(=C1)COC2=C(N=CC=C2)[N+](=O)[O-] 1 1.797 3 5 0 -9.31305335564831 8896226 CN1CCN(CC1)CC(=O)NC(=O)NC2CCCCC2 1 0.975 4 2 0 -6.38784480830654 8896099 CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4 1 1.638 5 3 0 -6.1699738608421 8895953 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3CCC(CC3)O 1 1.399 3 4 0 -11.8886557475389 8895933 C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)Cl 1 3.077 2 4 -9.24938766519282 8895893 CN1C=CSC1=NC(=O)C2=CC=CC(=C2)C#N 1 1.59 3 1 0 -12.134648933429 8895749 CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CN3CCCCCC3 1 3.447 3 3 -10.839166819339 8895736 C1CCCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 3.114 3 2 -9.98504459387262 8895648 CCCN1C(=O)NN=C1SCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)Cl 1 2.055 5 3 0 -20.3832434705157 8895632 C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)C3=C(N=CC=C3)SC(F)F 1 3.1 2 4 -10.2726971165601 8895580 CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=NOC(=C3)C)C(=O)OCC 1 2.532 4 4 0 -19.3641598520617 8895578 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC(=C(C=C2)OC)OC)C 1 2.565 2 5 0 -16.000263753765 8895574 COC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3OC 1 3.115 3 3 -6.28697755284082 8895518 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCCCCC3 1 4.029 2 4 -16.119755113208 8895440 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CN3C=CC=CC3=O)Cl 1 1.217 3 4 0 -21.4610929156534 8895416 CC1=C(OC2=C1C=C(C=C2)F)C(=O)NC3=NC(=C(S3)C(=O)C)C 1 3.212 2 3 3.59220069628717 8895388 C1=C[N+](=CC=C1C(=O)OCCCOC(=O)C2=CC=[N+](C=C2)[O-])[O-] 1 -0.738 2 6 0 -8.80246159317738 8895033 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C2CC2 1 2.473 2 2 -12.0528740640138 8895031 CCCN(CC1=NN=C(O1)C2=CC=CC=C2Cl)C(=O)C3=CC4=CC=CC=C4O3 1 4.451 3 3 -4.05239325454451 8894979 CC(=O)C1=CC(=C(C=C1)OC)CC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3 1 4.162 1 3 -6.9411265980888 8894935 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=CN4C3=NS(=O)(=O)CC4 1 1.203 4 3 0 -2.21843606631401 8894934 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CN4C3=NS(=O)(=O)CC4 1 0.872 4 4 0 -9.95375242487016 8894919 CS(=O)(=O)CC1=CC=CC(=C1)C(=O)NN(C2=CC=CC=C2)C3=CC=CC=C3 1 3.952 2 3 -10.0511934990641 8894901 CN1C=CSC1=NC(=O)C2=CC=C(C=C2)C(=O)OC 1 1.566 2 3 0 -13.0519885185964 8894734 CC1=CC(=C(C=C1NC(=O)CN2CCCCC2)OC)[N+](=O)[O-] 1 2.237 3 4 0 -10.0764807258934 8894728 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CN4C3=NS(=O)(=O)CC4 1 0.523 4 4 0 -8.81499533946734 8894706 COC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.003 2 5 0 -15.4684865767203 8894654 C1CCN(CC1)CC(=O)NC(=O)NC2=CC=CC=C2F 1 1.859 3 2 0 -4.83998267040761 8894649 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N(C)CC3=CC=CC=C3OC 1 1.402 4 3 0 -13.2666897772022 8894623 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.075 3 6 0 -22.1071856939983 8894513 CCCN(CC1CC1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OCC)C 1 4.057 1 5 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COC1=C(C=C(C=C1)CCNC(=O)CCC(=O)C2=CC=CS2)OC 1 2.818 1 4 -18.7770460191247 8893354 CC1=C(C(=NN1CC(=O)NC(=O)C2=CC=CC=C2OC)C)[N+](=O)[O-] 1 1.294 4 5 0 -11.8594277351851 8893265 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N 1 2.207 3 2 2.31143385679675 8893255 CC1=C(C=CC(=N1)C2=CC=CS2)C(=O)O 1 2.492 1 2 -2.5467815195304 8892972 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 0.941 4 5 0 -22.0971010568583 8892033 CCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)OC)OC)N=N1 1 2.741 4 3 0 -13.4416937109272 8891445 CCNC(=O)CSC1=NN=C(N1C2=CC=CC=N2)CN3CCCCCC3=O 1 1.551 6 2 0 -27.0014158405541 8891226 CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(ON=C2C)C)OCC 1 2.489 2 4 -16.6677841956727 8891153 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)N(C)CC3=CC=CC=C3 1 3.599 1 5 -1.02733357810932 8886704 CN1C=CC=C1C(=O)OCC2=NOC(=C2)C3=CC=CO3 1 2.734 2 4 -4.14021994734809 8885754 CC1=C(C=C(C=C1)C(=O)NC2CC(NC(C2)(C)C)(C)C)S(=O)(=O)N3CCCCC3 1 2.298 3 3 -25.4874662434042 8884663 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=CC=C(C=C3)C(=O)N 1 1.357 4 4 0 -13.5206451333529 8884594 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.685 3 4 0 -23.0075386989954 8884091 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3C#N 1 1.906 3 4 0 -20.1732403214346 8884001 CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 3 2 4 -20.3751618211777 8883221 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC(=O)NC3=NOC(=C3)C 1 2.164 4 4 0 -17.1498337126775 8883083 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 2.111 4 4 0 -7.54785676599762 8882421 CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=NC3=CC=CC=C3S2 1 1.832 4 3 0 -14.0617953231389 8882088 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=NC4=CC=CC=C4S3 1 1.779 4 3 0 -4.59965628068065 8882039 CC1=C(NC(=C1C(=O)C)C)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 2.896 1 5 -9.95938603183089 8881186 C1CC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=CC(=C4)[N+](=O)[O-])C(=O)N2C1 1 2.616 3 5 0 -17.645316251051 8880709 C1=CC(=CC(=C1)C(F)(F)F)CC(=O)NCC2=CN=CC=C2 1 2.448 2 1 -7.82358023070735 8876574 C1CCN(C1)C(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl 1 1.864 1 5 0 -9.23339000806727 8874377 CCCCNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O 1 3.043 1 4 -8.75450996048306 8874293 COC1=CC=CC=C1CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.894 2 5 0 -26.3088350354293 8874332 COC1=CC=CC=C1/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.87 2 5 0 -19.985408570556 8873698 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NN2C(=O)C3(CCCCC3)NC2=O 1 0.924 4 5 0 -12.4302427947192 8873472 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-] 1 3.629 3 4 0 -5.92768834493445 8873307 CC1=CC=CC=C1OCC(=O)NNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 1.653 4 4 0 -16.5152089717282 8872220 CC1=CC(=C(C=C1C2=CSC(=N2)NC(=O)C3=COCCO3)C)C 1 2.931 2 3 -1.19606223699228 8871033 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCC3=CC=CC=C3F 1 2.099 2 4 -23.0734220631742 8870667 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3F 1 4.006 2 3 -14.6613647438295 8867850 CC1=C(OC2=C1C=CC=C2F)C(=O)NCC3=CC=CO3 1 3.09 1 3 2.99376625848373 8856508 COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(S2)Cl)O 1 3.856 0 3 5.82025081004641 8856484 COC1=CC(=CC(=C1O)OC)/C=C/C(=O)C2=CC=C(S2)Cl 1 3.839 0 4 3.01903853312141 8853414 COC1=CC(=C(C=C1)OC)/C=C/C2=NC3=CC=CC=C3NC2=O 1 2.932 2 3 -7.689993013842 8853384 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC(=O)C3=CC(=C(C=C3)F)F 1 2.536 2 4 -17.5796775588707 8853383 CC1=C(C=C(C=C1)/C=C/C2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2)[N+](=O)[O-] 1 3.535 3 5 0 -13.4086820028564 8853376 CC1=C(C(=NC(=O)N1)SCC2=CC(=C(C=C2)Cl)Cl)C#N 1 3.719 3 1 -9.92115154917676 8853373 CC1=C(C(=NC(=O)N1)SCC2=CC(=CC=C2)Cl)C#N 1 3.055 3 1 -9.48325528855671 8853303 C1CC2=CC=CC=C2N(C1)C(=O)C3=CNC(=O)C=C3 1 1.157 2 2 0 -12.3647691780272 8853175 CC1=CC=C(O1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3 1 1.694 2 4 0 -5.96185339143439 8853119 C1=CNC(=C1)C(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.142 2 3 -9.61611232138225 8852925 COC1=CC=CC=C1C(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.74 1 4 -12.2285210221238 8852528 C1CC1N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C(=O)COC4=CC=CC=C4C#N 1 3.188 4 3 0 -8.96645234606759 8852475 CC1=NN=C(N1N)SCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N 1 2.187 6 1 0 -30.3488126941908 8852438 C1=CC(=CN=C1)CNC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 1.527 3 2 0 -18.1337396419392 8852343 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=NC=C2 1 -0.398 4 4 0 -20.2075430936636 8852215 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC3(CCCC3)C#N 1 3.012 2 5 0 -0.16279589993573 8852038 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCCN3CCOCC3 1 2.694 2 3 4.10380509864394 8851911 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC(=C2)OC3=CC=CC=C3 1 3.424 2 4 -7.85945916451236 8851735 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC(=O)C3=CC=CN3 1 3.537 2 4 -9.77978226415666 8851636 C1CCC(=CC1)CCNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F 1 4.482 1 3 -8.72193035884262 8850722 CCC1=NOC(=C1C(=O)OCC(=O)C2=CC=CC=C2OC)C 1 2.474 1 5 -17.5668747455872 8850684 CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CC=CN2 1 0.736 3 3 0 -12.0568280656924 8850679 CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)OC(F)F)OC 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3 3 0 -2.38670385631611 8729726 CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N 1 1.794 4 3 0 -12.4882591021152 8725692 CC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4CC4 1 2.769 4 2 -8.34559389697589 8723935 CCN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C(=O)N)C3CC3 1 1.275 5 2 0 -17.7098656210059 8722509 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4 1 2.123 5 2 0 -15.9092750721894 8721991 COC1=C(C=C(C=C1)Cl)NC(=O)CN2CCN(CC2)C(=O)N3CCOCC3 1 0.71 4 4 0 -9.06324400514563 8721869 CC1=CC(=NN1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)C 1 2.132 3 2 -8.9352770901289 8721477 C1=CC(=CC(=C1)F)N2C=CN=C(C2=O)SCC(=O)NC3=C(C=C(C=C3)Cl)F 1 2.909 3 2 -7.21102935496249 8718771 CCN(CC1=CC=CS1)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.326 3 2 -13.3084876822331 8713661 C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 1.726 3 4 0 -13.8222354013606 8713420 C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)C(=O)NCCC4=CC=CC=C4 1 3.018 3 3 -12.9902579997109 8713414 C1=CC=C(C=C1)CCNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.145 3 4 0 -17.8039805735481 8713390 C1CCC(CC1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 1.813 2 4 0 -19.4846164423904 8713385 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3 1 2.983 3 3 -20.7878352730258 8713336 C1CCC(CC1)NC(=O)C2=CC3=C(C=C2Cl)N4CCCCCC4=NS3(=O)=O 1 3.636 3 3 -9.56083500830047 8713322 CCOC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2CCCCC2 1 1.991 2 4 0 -13.2166400405036 8713008 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)NCC3=CC=C(C=C3)Cl 1 3.355 2 3 -21.5535055072578 8712713 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CCCC4=CC=CC=C43 1 4.416 1 3 2.8737958111523 8708669 CC1=CC=CC(=C1)C(=O)OCC(=O)NN2C(=O)C3(CCCCC3)NC2=O 1 2 3 5 0 -10.4697499333198 8707925 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.324 1 5 -14.8680157632812 8707776 COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O)OC 1 2.938 0 7 0 -12.4867139431763 8707515 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=CC=C(C=C3)Br 1 3.166 1 3 -1.09896664927314 8706337 CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=NN2)C 1 1.583 4 3 0 -22.1044695803671 8706252 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=NN3)C 1 1.495 5 3 0 -22.1219435508882 8704908 CC1=CC=CC=C1OCC(=O)OCC(=O)C2=C(N(C(=C2)C)C3CC3)C 1 3.343 1 4 -11.8051491276694 8703501 CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4CC4 1 2.616 4 3 0 -12.6783214224311 8701788 CCOC1=CC=CC=C1OCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.875 3 4 0 -19.3522862424592 8701780 CC1=CC(=C(C=C1)C)OCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.515 3 3 -15.1850034501936 8701507 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N3C=NN=N3 1 0.621 6 2 0 -19.7997876361212 8701379 CC(=O)NC1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.804 3 4 0 -22.1296216038414 8700197 C1CC1NC(=O)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3C#N 1 2.026 3 3 -15.1466901452141 8700193 CCOC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.48 2 4 -16.147211826136 8700187 CC1=C(C=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3)C 1 3.12 2 3 -12.6402647451489 8700179 CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 3.12 2 3 -11.7916324395365 8700142 C1CC1NC(=O)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3 1 2.147 2 3 -13.1109997689644 8691146 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)O 1 3.862 3 2 3.95425810674348 8690884 C1CN(C2=CC=CC=C21)C(=O)CN3CCN(CC3)C4=CC=C(C=C4)O 1 2.624 3 2 -4.30813012645157 8690634 CC1=CC(=C(N1C2CC2)C)C(=O)CN3CCN(CC3)CC(=O)NC4=CC(=CC=C4)F 1 2.455 4 2 -7.6907474358841 8690616 C1CN(CCN1CC2=CC3=C(C=C2Br)OCCO3)C4=CC=C(C=C4)O 1 3.825 2 3 7.25420820929638 8688727 CC1=CC(=C(C=C1NC(=O)CN2CCN(CC2)C3=CC=CC=C3)OC)[N+](=O)[O-] 1 2.95 4 4 0 -6.7550337601019 8688604 C1CN(CCN1CC2=CC3=C(C=C2Br)OCCO3)C4=CC=CC=C4 1 4.067 2 2 5.113030903015 8688253 C1CN(CCN1CC2=NC=C(O2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.433 3 1 8.17327393549298 8687419 COC1=CC=CC=C1N2CCN(CC2)CC3=CC4=C(C=C3Br)OCCO4 1 4.05 2 3 3.18036997453904 8684995 C1CN(CCN1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Br 1 3.163 2 2 -8.1412148522908 7456277 CC1=C(C=C(C=C1)SCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C 1 4.08 2 3 -6.7667090188146 7456050 CCCN1C(=O)NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 1.823 5 3 0 -24.4686777878857 7455916 COCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)F 1 3.894 2 2 -15.4760243582971 7455842 CCCN1C(=O)NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.692 4 2 -18.1570641878315 7455446 CC(C)C(=O)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 3.16 2 5 0 -3.97674805169992 7455337 C1CCC(C1)(C2=CC=CC=C2)C(=O)OCC(=O)N3CCNC3=O 1 2.004 2 4 -14.1070478734076 7455079 C1CC1(C2=CC=C(C=C2)Cl)C(=O)OCC3=CC(=O)N4C=CSC4=N3 1 2.757 2 3 -12.4814782313402 7454979 CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)Br 1 4.665 1 1 6.62000025826441 7454663 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C 1 2.078 3 3 -9.02006613333908 7454652 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C 1 1.924 3 4 0 -10.1992554941912 7454642 CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C 1 1.796 3 5 0 -14.3496992835024 7454640 CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C)C 1 3.05 3 3 -9.84120546466467 7454633 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C)C 1 2.564 3 3 -10.9967452467306 7454312 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 1.666 3 3 0 -11.5783459888558 7454310 CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3)C 1 2.152 3 3 -11.1947376658106 7454298 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)F)/C(=O)NCC3=CC=NC=C3 1 3.119 3 2 -16.8270547720699 7453857 CCOC(=O)C1=C(/C(=N/NC2=CC=CC(=C2)C)/N=C1C)C 1 2.698 3 2 -4.56978132757103 7452861 CC1=NOC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 1.812 3 2 0 -4.29158323852948 7452697 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3OC 1 2.165 2 4 -14.0422435568425 7449610 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=NC(=NO2)C3=CC=C(C=C3)OC 1 1.012 4 5 0 -4.17403328632548 7448783 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3 1 1.638 1 7 0 -22.3791266462148 7448066 C=CCN1C(=O)/C(=C/C2=C(NN=C2)C3=CC=CC=C3)/SC1=S 1 3.917 3 1 -10.2979387366862 7446717 COC1=CC=CC=C1CNC2=C(C=CC=N2)[N+](=O)[O-] 1 2.488 3 3 -5.58533917937663 7446646 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)N3CCCC3=O)OCC 1 3.189 2 4 -23.8630344627498 7446642 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCCC3=O 1 0.783 3 2 0 -12.6630513235148 7446632 CC1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.989 3 2 0 -20.182287863467 7441600 C1=CC=C2C(=C1)N=C(S2)/C(=C\C3=CC=CO3)/C#N 1 3.541 2 1 -6.16800715453816 7440039 C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)NCCC3=CC=CC=C3 1 2.465 2 4 -19.2399496993655 7439216 C1CCC(CC1)NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CS3 1 3.656 2 4 -18.0487613985329 7438553 CC1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 2.543 1 6 0 -20.2709837602215 7437463 CC1=CC=C(C=C1)CNC(=O)CCC2=NC(=NO2)C3=CC=CS3 1 2.927 3 2 -16.2215401698484 7437457 COC1=CC(=CC(=C1OC)OC)NC(=O)CCC2=NC(=NO2)C3=CC=CS3 1 2.385 3 5 0 -16.0599900538537 7437035 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCCN3CCCCC3 1 1.26 3 3 0 -15.5634201707945 7437032 CC1CCN(CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 1.512 3 3 0 -18.1710094345883 7436944 CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C 1 1.572 3 4 0 -8.23412438911283 7436939 CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C)C 1 2.058 3 4 0 -10.3696847570821 7436935 CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C 1 1.418 3 5 0 -11.1126627089603 7436932 CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C 1 2.028 3 4 0 -10.1729114838872 7436914 CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=CC=C2Cl 1 1.864 2 3 0 -3.11021993778094 7433523 CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=COCCO2 1 1.521 1 6 0 -21.3061241620185 7433343 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)C3=CC=CC=C3F 1 2.026 1 4 -2.55796446213113 7432716 C1CCC(CC1)(C#N)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.58 3 3 0 -8.77175437742031 7432245 CC1=CC=CC=C1C2=NN(N=N2)CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.379 5 3 0 -13.2681615919292 7431619 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CN(C3=CC=CC=C32)C)/C(=O)N4CCN(CC4)C 1 3.143 4 2 -10.889243546938 7431155 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3(CCCCC3)C#N 1 2.148 4 3 0 -9.58786898615471 7431129 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3(CCCCC3)C#N 1 1.943 4 3 0 -10.9887594007028 7430740 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C3=C(N2)CCC3 1 2.058 3 4 0 -26.3585168817259 7430578 CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=O)C3=C(N2)CCC3)C 1 3.175 3 2 -22.0134997651653 7430277 CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)/C=C\C4=CC=CC=C4 1 2.929 3 1 -4.53921993241016 7428287 CN1C/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O 1 0.766 2 2 0 -0.555756353765598 7427633 CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)N3CCCCC3 1 1.84 4 2 0 -13.0376172089449 7424594 C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C(=O)/C=C/C5=CC=CO5 1 4.773 1 3 -2.39389869366629 7423415 COC1=CC=C(C=C1)CCNS(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 1.677 2 6 0 -11.2720401763167 7423413 COC1=CC=CC=C1CCNS(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 1.677 2 6 0 -15.6348761864082 7423412 C1OC2=C(O1)C=C(C=C2)C(=O)NCCS(=O)(=O)NCCC3=CC=CC=C3 1 1.694 2 5 0 -11.6738888719521 7423407 CC1=CC=C(C=C1)CNS(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 1.859 2 5 0 -11.0566048774457 7423406 COC1=CC=C(C=C1)CNS(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 1.356 2 6 0 -11.4695710865899 7423404 C1OC2=C(O1)C=C(C=C2)C(=O)NCCS(=O)(=O)NCC3=CC=C(C=C3)F 1 1.578 2 5 0 -10.3447278519805 7423403 C1OC2=C(O1)C=C(C=C2)C(=O)NCCS(=O)(=O)NCC3=CC=CC=C3Cl 1 2.037 2 5 0 -13.0793974429176 7423402 C1OC2=C(O1)C=C(C=C2)C(=O)NCCS(=O)(=O)NCC3=CC=CC=C3 1 1.372 2 5 0 -11.8714197822253 7423392 C1CCC(CC1)NS(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 1.647 2 5 0 -14.8859619347107 7423368 COC(=O)C1CCN(CC1)S(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 0.322 2 7 0 -22.5414288813768 7423367 CCOC(=O)C1CCN(CC1)S(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 0.671 2 7 0 -24.5747578090779 7423364 CC1CCN(CC1)S(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 1.164 2 5 0 -24.0889261582416 7423361 C1CCN(CC1)S(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 0.912 2 5 0 -21.3674379048765 7423358 CCN(CC1=CC=CC=C1)S(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 1.927 2 5 0 -15.6974315657458 7423357 CN(CC1=CC=CC=C1)S(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 1.578 2 5 0 -12.1587457031415 7423356 CCN(C1CCCCC1)S(=O)(=O)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 2.202 2 5 0 -14.8435439600351 7423345 C1CCC(C1)NS(=O)(=O)CCNC(=O)C2=CC=C(C=C2)F 1 1.628 2 3 0 -11.5223777365124 7423339 CCOC(=O)N1CCN(CC1)S(=O)(=O)CCNC(=O)C2=CC=C(C=C2)F 1 0.641 3 5 0 -21.8179100181229 7423337 C1CN(CCC12OCCO2)S(=O)(=O)CCNC(=O)C3=CC=C(C=C3)F 1 0.497 2 5 0 -21.8555360940685 7423335 COC(=O)C1CCN(CC1)S(=O)(=O)CCNC(=O)C2=CC=C(C=C2)F 1 0.76 2 5 0 -19.5323131973466 7423334 CCOC(=O)C1CCN(CC1)S(=O)(=O)CCNC(=O)C2=CC=C(C=C2)F 1 1.108 2 5 0 -21.5656421250478 7423331 CC1CCN(CC1)S(=O)(=O)CCNC(=O)C2=CC=C(C=C2)F 1 1.601 2 3 0 -21.0798104742114 7423329 C1CCCN(CC1)S(=O)(=O)CCNC(=O)C2=CC=C(C=C2)F 1 1.806 2 3 0 -18.3583222208464 7423324 COC1=CC=C(C=C1)CCNS(=O)(=O)CCNC(=O)C2=CC=C(C=C2)OC 1 1.893 2 5 0 -9.80112045996936 7423323 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NCCC2=CC=CC=C2 1 1.909 2 4 0 -9.7896164225314 7423322 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NCC2=CC=CS2 1 1.328 2 4 0 -13.0392062683541 7423321 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NCC2=CC=CO2 1 0.77 2 5 0 -12.5540748889093 7423318 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 1.356 2 6 0 -10.8675863652501 7423317 CC1=CC=C(C=C1)CNS(=O)(=O)CCNC(=O)C2=CC=C(C=C2)OC 1 2.074 2 4 -9.17233242802498 7423316 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NCC2=CC=CC=C2OC 1 1.571 2 5 0 -12.189936754314 7423315 COC1=CC=C(C=C1)CNS(=O)(=O)CCNC(=O)C2=CC=C(C=C2)OC 1 1.571 2 5 0 -9.99865137024253 7423313 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NCC2=CC=C(C=C2)F 1 1.793 2 4 0 -8.46045540255973 7423312 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NCC2=CC=CC=C2 1 1.588 2 4 0 -9.98714733280457 7423309 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NC2CCCC2 1 1.406 2 4 0 -12.6472209711218 7423294 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCC3=CC=CC=C3C2 1 1.868 2 4 0 -20.329523950502 7423293 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.487 3 6 0 -23.3028575397924 7423292 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3 1 1.751 3 4 0 -17.8341004737973 7423290 CCOC(=O)N1CCN(CC1)S(=O)(=O)CCNC(=O)C2=CC=C(C=C2)OC 1 0.419 3 6 0 -22.8717103040972 7423289 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCOCC2 1 -0.102 2 5 0 -21.4413481769055 7423288 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCC3(CC2)OCCO3 1 0.275 2 6 0 -22.9803793286779 7423279 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCCC2 1 0.671 2 4 0 -19.1286969412877 7423278 COC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCCCCC2 1 1.584 2 4 0 -19.4831654554558 7423277 CCN(CC1=CC=CC=C1)S(=O)(=O)CCNC(=O)C2=CC=C(C=C2)OC 1 2.142 2 4 -13.8131591163251 7423276 CN(CC1=CC=CC=C1)S(=O)(=O)CCNC(=O)C2=CC=C(C=C2)OC 1 1.794 2 4 0 -10.2744732537207 7423274 CN(C1CCCCC1)S(=O)(=O)CCNC(=O)C2=CC=C(C=C2)OC 1 2.069 2 4 -10.5142955340128 7423266 COC1=CC=C(C=C1)CCNS(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 1.909 2 4 0 -9.77044908526115 7423264 COC1=CC=CC=C1CCNS(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 1.909 2 4 0 -14.301698092365 7423263 C1=CC=C(C=C1)CCNS(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 1.925 2 3 0 -10.4653292429448 7423261 C1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NCC2=CC=CO2 1 0.786 2 4 0 -13.0341504737993 7423260 C1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NCC2=CC=C(C=C2)Cl 1 2.269 2 3 -7.73301509580337 7423257 C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)CCNC(=O)C3=CC=CC=C3 1 1.372 2 5 0 -11.2502677236153 7423255 CC1=CC=C(C=C1)CNS(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 2.09 2 3 -9.55501378639018 7423254 COC1=CC=CC=C1CNS(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 1.588 2 4 0 -12.909803958601 7423253 COC1=CC=C(C=C1)CNS(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 1.588 2 4 0 -9.96797999553432 7423252 C1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NCC2=CC=C(C=C2)F 1 1.81 2 3 0 -8.84313676092493 7423251 C1=CC=C(C=C1)C(=O)NCCS(=O)(=O)NCC2=CC=CC=C2Cl 1 2.269 2 3 -11.7462193488745 7423250 C1=CC=C(C=C1)CNS(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 1.604 2 3 0 -10.662860153218 7423240 C1CCC(CC1)NS(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 1.879 2 3 0 -13.3843708436551 7423239 C1CCC(C1)NS(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 1.423 2 3 0 -13.029902329487 7423225 C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC=CC=C3 1 1.767 3 3 0 -18.5098132942107 7423223 CCOC(=O)N1CCN(CC1)S(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 0.436 3 5 0 -23.3254346110975 7423222 C1CN(CCC12OCCO2)S(=O)(=O)CCNC(=O)C3=CC=CC=C3 1 0.291 2 5 0 -23.3630606870431 7423216 CCOC(=O)C1CCN(CC1)S(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 0.903 2 5 0 -23.0731667180224 7423213 CC1CCN(CC1)S(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 1.396 2 3 0 -22.587335067186 7423208 C1CCN(CC1)S(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 1.144 2 3 0 -19.865846813821 7423207 C1CCN(C1)S(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 0.688 2 3 0 -19.5113782996529 7423206 C1CCCN(CC1)S(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 1.6 2 3 0 -19.865846813821 7423205 CCN(CC1=CC=CC=C1)S(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 2.159 2 3 -14.4888719367385 7423202 CCN(C1CCCCC1)S(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 2.434 2 3 -13.3419528689796 7423200 CN(C1CCCCC1)S(=O)(=O)CCNC(=O)C2=CC=CC=C2 1 2.085 2 3 -10.896976892378 7423043 CC(=O)NC1=CC(=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O 1 0.57 3 5 0 -7.38415243741163 7423041 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 2.066 2 4 -4.45777866212821 7423032 CC1=CC(=NC(=N1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O)C 1 0.757 4 4 0 -7.17044514069581 7423030 CC1=NC(=NC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O 1 0.474 4 4 0 -8.96988200869427 7423026 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-] 1 1.549 3 6 0 -6.36870325538368 7423024 CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O)F 1 2.141 2 4 -2.52600668574758 7422999 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC(=CC=C3)F 1 1.655 2 4 0 -2.57580257263214 7422985 CCN(C1=CC=CC=C1)C(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.004 2 4 -8.36747226264982 7422978 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=NOC=C3 1 0.195 3 5 0 -5.30507490397106 7422975 CC1=CSC(=N1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 0.481 3 4 0 -5.25908942650545 7422974 CC1=CC(=NC(=N1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C 1 0.509 4 4 0 -6.90429925641144 7422972 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=NC=CC=N3 1 -5.6e-002 4 4 0 -6.22819168055784 7422965 COC1=CC=CC=C1CCNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.513 2 5 0 -12.8351127659425 7422955 CCN(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.763 2 4 0 -9.49386507233065 7422654 C1C(=O)N(C(=S)N1)CCCC2=CC=CC=C2 1 2.5 2 1 -4.05307358997306 7422650 C1=CC=[N+](C=C1)[C@@H]2[C@H](C(=C(N=C2[O-])S)C#N)C3=CC=C(C=C3)Cl 1 3.58 3 1 -3.82611403086503 7422648 COC1=CC=CC=C1CN2C(=O)CNC2=S 1 1.706 2 2 0 -6.83966669068484 7422647 C1C(=O)N(C(=S)N1)CC2=CC=C(C=C2)F 1 1.928 2 1 0 -2.89495456009239 7422529 CCOC1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)C3=CC=C(O3)Br 1 3.778 3 3 -3.37868236661011 7422527 CCOC1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)C3=CC=CS3 1 3.768 3 2 -3.69666863121811 7422526 CCOC1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 3.21 3 3 -2.16286660868622 7422517 CCOC1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3 1 3.65 3 3 -3.59756402115756 7422480 CC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4)[N+](=O)[O-] 1 3.093 5 4 0 -6.60419841297574 7422479 C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=C(C=C(C=C4)F)F 1 3.123 4 2 -0.130674509791747 7422477 CCOC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4 1 3.045 4 3 0 -4.2413802086993 7422476 CC1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4)C 1 3.685 4 2 -2.82728169865492 7422468 C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.607 5 4 0 -4.09137920131047 7422461 C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)Cl 1 3.377 4 2 -0.174982723366419 7422460 C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4Cl 1 3.377 4 2 -2.33944973014886 7422452 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4)OC 1 2.679 4 4 0 -7.10778966778129 7422451 COC1=CC=CC(=C1OC)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4 1 2.679 4 4 0 -4.93798679769297 7422450 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4)C 1 3.685 4 2 -2.06010721654133 7422449 COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4 1 2.696 4 3 0 -2.40994762309738 7422448 COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4 1 2.696 4 3 0 -3.5213846117594 7422447 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4)[N+](=O)[O-] 1 3.093 5 4 0 -5.87145907214214 7422446 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4 1 3.198 4 2 -1.99698141395324 7422445 CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4 1 3.198 4 2 -4.72937312211516 7422444 C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4 1 2.712 4 2 -2.89002320798736 7422442 C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)COC4=CC=CC=C4 1 2.547 4 3 0 -2.90364821201662 7422386 CC1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=CO4 1 3.589 4 2 -1.00783531358738 7422385 CC1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C(F)(F)F 1 3.617 4 1 -0.552173795760891 7422384 CCC(=O)NC1=CC=CC(=C1)C2=NN=C(C=C2)N3CCC(CC3)C 1 3.196 4 1 -1.46782154692687 7422382 C1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=CO4 1 3.337 4 2 0.400562880421551 7422381 C1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C(F)(F)F 1 3.366 4 1 0.856224398248036 7422380 CCC(=O)NC1=CC=CC(=C1)C2=NN=C(C=C2)N3CCCCC3 1 2.944 4 1 -5.94233529179401e-002 7421868 CC1=CC=CC(=C1)C(=O)N/C(=C\C2=CC=C(O2)C)/C(=O)O 1 2.443 1 4 -11.0161244001808 7421716 CN1C(=NN=C1SCC(=O)NC2=CC3=C(CCC3)C=C2)C4CC4 1 3.195 4 1 -16.7597417679847 7421289 CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(O3)C(=O)OC 1 3.148 2 4 -16.7654563248207 7420958 CC1=NN=C(N1CC=C)SCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 1.695 5 2 0 -25.9447291622679 7420731 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4 1 2.251 6 1 0 -14.9067669619802 7420714 CCOC1=C(C=C(C=C1)CCNC(=O)CCC2=C(N3C(=NC=N3)N=C2C)C)OCC 1 3.074 5 3 0 -28.6276615030811 7420679 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CN(C3=CC=CC=C32)C)/C(=O)N4CCOCC4 1 2.874 3 3 -15.2145763715823 7420485 CC1=CC=C(C=C1)C(=O)N/C(=C\C=C\C2=CC=CC=C2)/C(=O)NCC3=CC=CO3 1 3.714 2 3 -14.0571291651631 7419537 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=C(C=CC=C2Cl)C(F)(F)F 1 3.323 1 4 -9.34398242424033 7419525 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 1.594 2 7 0 -13.6670697418093 7419328 CC1CCC(CC1)NC(=O)COC(=O)C2=C(OC(=C2)C)C 1 2.25 1 4 -16.3954260621853 7418592 CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3 1 1.631 3 4 0 -11.0405647322537 7418253 CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2 1 1.313 2 5 0 -14.6472416678826 7418041 CC(=O)NC1=CC=CC(=C1)C(=O)OCCCOC2=CC=C(C=C2)F 1 2.705 1 4 -7.34901771296854 7416722 C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=CO5)Cl 1 2.413 3 2 -3.92320714057916 7416707 C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=C(C=C5)F)Cl 1 3.436 3 1 -1.93993011392606 7416486 CC1=CC=CC(=C1O)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3 1 2.755 2 4 -3.26141777557771 7416477 CC1=CC=CC(=C1O)C(=O)OCC(=O)C2=CC(=CC=C2)Br 1 3.933 0 4 -6.11511635445244 7416263 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=C(C(=CC=C3)C)O 1 3.896 2 4 -8.99900801686502 7416144 CC1=CC=CC(=C1O)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2 1 2.437 1 5 -7.92087950196226 7416106 CC1=CC=CC(=C1O)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N 1 1.678 3 6 0 -14.2388421167402 7416045 CC1=CC=CC(=C1O)C(=O)OCC(=O)NNC(=O)C2=CC=CS2 1 1.776 2 5 0 -11.5780477392422 7435223 CC1=CC(=NC(=N1)N/N=C\2/C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)Cl)C 1 3.654 5 1 1.99328633955347 7415657 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3CCCC3 1 2.792 3 2 -8.029867763094 7415285 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COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=CO4 1 2.361 3 5 0 -15.2250580765139 7409958 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC=CC=C3F 1 1.285 3 4 0 -22.7972320949537 7409949 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC(=C(C=C3)F)F 1 1.49 3 4 0 -20.748985436759 7409805 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CC3=CC(=CC=C3)OC 1 3.147 2 5 0 -10.1963269853087 7409794 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=COCCO3 1 1.043 2 6 0 -10.2924432091783 7409674 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CC3=CC=CC=C3OC 1 3.147 2 5 0 -12.4939111943977 7409190 CCN1C2=C(C=C(C=C2)Br)/C(=N/NC(=O)C3=CN=CC=C3)/C1=O 1 1.917 4 2 0 -5.84260538670996 7409168 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=NC=CN=C3 1 0.591 4 2 0 -8.47599373469947 7408936 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CS3 1 2.105 3 4 0 -11.7005538026292 7408875 CC1=CC(=C(C=C1)Cl)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 4.156 2 5 0 -7.71519724128179 7408048 C1=CC(=CC(=C1)N2C(=O)[C@H]3[C@@H](C2=O)NN=C3C(=O)C4=NC=CN=C4)C(F)(F)F 1 0.79 5 3 0 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CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CC=N3 1 2.096 3 3 -24.1381248547764 7374939 CC1=C(C2=CC=CC=C2N1)C(=O)/C=C\C3=CC=CC=C3Cl 1 4.805 1 1 3.81231228294169 7374613 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3N2 1 2.88 4 3 0 -18.23799392888 7374466 CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.656 1 5 -15.7198238518943 7374426 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2(CCCCC2)C#N 1 2.666 4 2 -17.7921537110919 7374258 C1=CC=C(C(=C1)/C=C\C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4O)[N+](=O)[O-] 1 4.396 3 4 0 -4.33386397295697 7374224 C1=CC=C2C(=C1)C=C(C(=O)O2)/C(=N/NC(=O)C3=CC=CS3)/N 1 1.909 3 3 0 -13.2232694427292 7373898 C1=CC(=CC=C1C(=O)OCCCOC2=CC=C(C=C2)F)NC(=O)CC#N 1 2.765 2 4 -11.6246328907312 7373350 CC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)C 1 3.483 2 3 -3.79261041329104 7373154 CC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCNC2=O)C 1 1.522 2 4 0 -13.2293734247741 7373054 CNC1=CC=CC=C1C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 1.898 2 5 0 -16.2213960404243 7373051 CNC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.372 3 4 0 -11.3482654594562 7372701 COC1=CC=CC(=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)C5=CC=CC=C5C4)/C(=O)NC2=O 1 4.293 2 4 1.10123941719725 7372404 CC\1=NN(C(=O)/C1=C/NN2CCOCC2)C3=CC=CC=C3 1 -0.149 4 2 0 -5.94650610668897 7372360 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.209 4 3 0 -1.58647696136063 7370913 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CN=CC=C2)/C(=O)O 1 1.265 2 3 0 -13.5076559512827 7370903 CCOC(=O)C1=CC=C(C=C1)N/C=C\C(=O)C2=CC(=CC=C2)OC 1 3.231 1 4 -5.11848239101952 7370799 CC\1=NN(C(=O)/C1=C/NC2=CC=CC3=C2N=CC=C3)C4=CC=CC=C4 1 2.562 4 1 -5.74048587792024 7369491 CC1=C(C=CC=C1Cl)NC(=O)CN2C(=CC=C2C3=CC=CC=C3)CCC(=O)O 1 4.717 2 3 -8.55969624813644 7369089 COC1=C(C=C(C=C1)Cl)NC(=O)COC2=CC3=C(C=C2)OCO3 1 2.866 1 5 -7.34709933257094 7368383 C1=CC=C2C(=C1)C(=O)N=C(N2)/C(=C\C3=CC=NC=C3)/C#N 1 1.649 4 1 0 -10.1314656660919 7367763 C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)/C(=C\C3=CC=C(C=C3)F)/C#N 1 3.526 4 1 -16.6702168324846 7367736 COC1=CC=CC(=C1)N2C(=O)[C@@H]3[C@H](C2=O)NN=C3C(=O)C4=NC=CN=C4 1 -0.168 5 4 0 -9.34097452944675 7367443 CC1=C(C2=C(N1)C(=CC=C2)Br)[C@H]3[C@H](C3(C)C)CC#N 1 3.977 2 0 1.12200443758117 7367310 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CN=CC=C2)/C(=O)N 1 0.638 3 2 0 -13.6056926303794 7367149 C1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=N/O)/C2=O 1 2.527 2 2 2.11545630229183 7367113 CC(C)C1=CC=C(C=C1)/C=C(/C#N)\C2=NN=C(S2)NC(=O)C3=CC=CC=C3 1 4.514 4 1 -17.0986341612983 7366046 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=C(C=CC(=C3)Cl)O 1 3.48 1 4 -5.91881541738888 7365939 C1CC(=O)N(C1)C(=O)COC(=O)C2=C(C=CC(=C2)Cl)O 1 1.412 1 5 0 -7.2212480557767 7365683 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=C(C=CC(=C3)Br)O 1 3.564 1 4 -6.73843848977197 7365259 CC1=CC(=C(C=C1)N/C(=C\2/C(=O)C3=CC=CC=C3S2)/C)C 1 4.522 1 1 -2.86723257319158 7364522 CN1C=CN=C1SCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)F 1 1.114 4 2 0 -13.5535342422246 7364481 CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CSC2=NC=CN2C 1 1.619 4 4 0 -22.8725951991171 7363990 CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)/C=C\C(=O)O 1 2.461 2 3 -2.87850131045493 7360902 C1=CC=C(C=C1)N2C(=O)/C(=N/NC3=CC=C(C=C3)F)/C(=N2)CSC4=CC=CC=N4 1 4.475 5 1 -10.2792707633885 7360388 CCOC1=CC=C(C=C1)NC(=S)NCCCN2CCN(CC2)C3=CC=C(C=C3)OC 1 4.658 4 2 -6.46046394822953 7359933 CN(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CS3 1 1.612 3 4 0 -7.4242479026607 7359928 CN(CC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CS3 1 2.293 3 3 -2.70608077050619 7359926 CN(CC(=O)N1CCN(CC1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 1.628 3 3 0 -7.36997911518358 7359729 CCCCN1C(=O)C(=O)N(C1=O)CC(=O)C2=CC=CN2 1 1.299 3 4 0 -6.43943247684687 7359717 CCCCN1C(=O)C(=O)N(C1=O)CC(=O)C2=CC3=C(CCCC3)C=C2 1 3.427 2 4 -10.8229000514734 7358249 CN(C)/C=C/1\C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 1 2.625 4 3 0 -5.9771320870219 7357333 C1=CC=C(C(=C1)COC2=CC=C(C=C2)C3=NN(N=N3)CC(=O)O)Cl 1 3.218 4 3 0 -1.97494105283972 7355598 C1CC1NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F 1 2.645 1 3 -5.05221436307609 7354609 COC1=CC2=C(C=C1)NC=C2CCNC(=O)CCC3CCCCC3 1 4.383 2 2 -15.0237600162847 7353114 C1=CC=C(C=C1)CN2C(=O)[C@H]3[C@@H](C2=O)NN=C3C(=O)C4=CC=C(C=C4)F 1 1.933 3 3 0 -5.71819840014586 7353046 C1=CC=C(C(=C1)C(F)(F)F)N2C(=O)[C@H]3[C@@H](C2=O)NN=C3C(=O)C4=NC=CN=C4 1 0.79 5 3 0 -9.07826334492 7352723 CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NCCC2=CC=CC=C2)C 1 4.015 1 3 -13.3230371864151 7352664 CC1=C(C=C(C=C1)SCC(=O)OCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)F)C 1 3.158 2 4 -13.867131758876 7352578 CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NCC2=CC=CS2)C 1 3.434 1 3 -15.9480276356784 7352144 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(S2)CCCCC3 1 3.528 2 4 -16.6007198328542 7351819 C1=CC=C(C(=C1)C(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl)Cl 1 4.421 1 3 -10.5987070718029 7351803 C1=CC(=NC=C1Cl)NC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.19 3 3 -10.3428836388406 7351747 C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 3.674 3 3 -10.5117459268215 7351715 C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 3.464 2 4 -10.7172245877075 7351704 C1CC(=O)N(C1)C(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 2.261 2 4 -12.9137141857191 7351675 C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 2.849 3 4 0 -13.1334915278827 7351671 C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 3.315 3 3 -9.82592989741641 7350211 CC1=CC=CC=C1C2=NN(N=N2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.533 6 3 0 -5.83576793656669 7350090 C1=CC=C(C=C1)/C(=C\C(=O)C2=CC=CC=C2)/N3C=NC=N3 1 2.948 3 1 -2.77822873499984 7349533 CC1=CC(=C2C(=C1)[C@@H]3C=CC[C@@H]3[C@@H](N2)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)C 1 3.769 2 3 -10.6701479303724 7349358 C1=CC=C2C(=C1)/C(=N/NC(=S)N)/C(=O)N2CC3=CC=C(C=C3)Br 1 3.418 4 1 0.2056095529546 7349276 CC\1=NN(C(=O)/C1=N/NC2=CC=CC=C2C(=O)N3CCCCC3)C4=CC=CC=C4 1 3.155 5 2 0 -9.65644661332934 7346914 CC1=CC(=C(C=C1)N/C(=C(\[N+](=O)[O-])/Cl)/C(=C(Cl)Cl)Cl)C 1 5.03 2 2 -0.924198483765723 7345532 CC1=CC(=C(C=C1)C)OCCN2C=C(C3=CC=CC=C32)C(=O)O 1 4.563 1 3 -4.50258385008302 7345167 CC(C)OC1=CC=C(C=C1)C(=O)/C(=C\C2=CC=CS2)/C3=NC4=CC=CC=C4O3 1 5.776 1 3 -3.76401497260337 7341556 CN1C(=O)/C(=C/C2=CC=CN2C3=CC4=CC=CC=C4C=C3)/C(=O)NC1=S 1 4.045 3 2 3.61642928987817 7341289 C1C2=C(N(N=C2CN1)C3=CC=C(C=C3)C(=O)O)N 1 -2.135 4 2 0 -3.58726714670349 7341067 COC1=CC=C(C=C1)N2C(=C/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C2=O)C4=CC=CC=C4 1 4.563 2 4 -3.33150884400118 7340048 CCCCCC1=C(NC2=NC3=CC=CC=C3N2C1=O)C 1 3.832 3 1 -11.694496131042 7339743 C1=CC=C(C=C1)N2C(=O)C3=C(C=CN=C3N2)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.753 4 3 0 -2.18874630085207 7339742 CC1=CC=CC=C1C2=C3C(=NC=C2)NN(C3=O)C4=CC=CC=C4 1 3.345 3 1 -1.40079136500939 7339687 C1=CC=C(C=C1)N2C(=O)C3=C(C=CN=C3N2)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.753 4 3 0 -1.50181644307092 7338786 CC1=C(C=C(C=C1)NC2=C(N=C3N2C=CC=N3)C4=CC=C(C=C4)N5CCOCC5)C 1 5.044 5 1 0.858630349912078 7338781 CC1=CC=C(C=C1)NC2=C(N=C3N2C=CC=N3)C4=CC=C(C=C4)N(C)C 1 4.87 5 0 -0.859105314278029 7338363 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CS3 1 1.654 3 4 0 -10.6587354790345 7338359 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCNS(=O)(=O)C3=CC=CS3 1 2.335 3 3 -5.94056834687998 7338316 CC1=CC=C(C=C1)NC2=C(N=C3N2C=CC=N3)C4=CC=C(O4)C 1 4.248 4 1 1.8049198713711 7338267 CC1=CC(=CC=C1)NC2=C(N=C3N2C=CC=N3)C4=CC=C(C=C4)O 1 4.465 4 1 5.86504775381071 7338255 CC1=C(C(=CC=C1)C)NC2=C(N=C3N2C=CC=N3)C4=CC=C(C=C4)N5CCOCC5 1 5.044 5 1 -0.684689338846397 7338235 CC1=CC=C(O1)C2=C(N3C(=CC(=NC3=N2)C)C)NC4=CC5=C(C=C4)OCCO5 1 4.113 4 3 0 -3.18252737990189 7338081 CC1=CC=CC=C1NC2=C(N=C3N2C=CC=C3)C4=CN=CC=C4 1 3.942 4 0 -1.91935647357101 7336695 COC1=CC=CC(=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F 1 1.739 4 3 0 -3.15645944196661 7336682 C1CN(CCN1C(=O)COC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.557 3 6 0 -21.9290856758232 7336681 C1CN(CCN1C(=O)CC2=CC=CS2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.71 3 5 0 -25.2989040112896 7336305 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CN=CC=C2)/C(=O)NC3=CC=CC=C3 1 2.42 3 2 -16.7871873350632 7334804 CC1=CC=CC=C1/C=C\C2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4 1 5.237 2 1 -2.44846110060899 7334761 CCN1C(=NC2=CC=CC=C2C1=O)/C=C\C3=CC=CC=C3C 1 4.002 2 1 -2.40423801515541 7334515 CC1=NC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CS3 1 3.2 3 3 -14.5804160812633 7334009 COC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NCCCC2=CC=CC=C2)OCC(=O)O 1 3.154 2 5 0 -23.2770049380939 7333930 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)NC3=C(C=CC=C3F)F 1 4.205 2 3 -9.76156667156629 7333760 C=CCN1C(=O)/C(=C/C2=CC=C(S2)Br)/C(=O)NC1=S 1 3.107 2 2 -4.05083819443423 7333697 CSC1=CC=C(C=C1)C(=S)N2CCCCCC2 1 4.582 1 0 -1.0037690985632 7333696 CC1=CC=C(C=C1)C(=S)N2CCCCCC2 1 4.527 1 0 -3.20888603903301 7333695 CSC1=CC=C(C=C1)C(=S)N2CCCC2 1 3.67 1 0 -0.649300584395118 7332834 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(N3)C=CC(=C4)Cl 1 3.511 4 1 5.20390167716169 7326949 CC1=C(C2=NC(=C(C(=O)N2N1)CC3=CC=CC=C3)C)C4=CC=C(C=C4)Cl 1 3.906 3 1 -5.38871448255896 7326499 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=C(C=C3)N4CCOCC4)/NC2=O 1 1.915 4 4 0 -9.76499378768874 7326491 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC4=C(C=C3)OCCO4)/NC2=O 1 1.851 3 5 0 -12.139784713735 7326481 CC(C)N1C(=O)/C(=C\C2=CC=C(O2)SC3=NC4=CC=CC=C4N3)/SC1=O 1 4.569 3 3 -0.53702975481508 7326473 CC(C)N1C(=O)/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)/SC1=O 1 4.373 1 5 -1.5568155187793e-002 7326464 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=C(S3)C)/NC2=O 1 2.164 3 3 -6.77123001175739 7326265 CC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CCC3=CC=CC=C3 1 2.625 4 2 -14.9497803531933 7326186 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)C 1 2.524 3 3 0.48005834775025 7326182 CC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCC(CC3)C(=O)N 1 1.789 3 2 0 0.869569292765237 7326176 COC1=CC(=C(C=C1)OC)NC(=O)CCCC(=O)NC2CCCCC2 1 2.655 2 4 -15.6477988081853 7326141 C1CN(CCN1C=O)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl 1 1.631 3 2 0 2.4140233183958 7325068 CC1=CC=CC=C1/C=C\C2=NC(=O)C3=CC=CC=C3N2 1 3.447 2 1 -3.66840196773196 7322837 CC(=O)NCC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2 1 1.398 2 6 0 -17.4609041492534 7318449 CCN1C(=O)/C(=C/2\C3=CC(=CC4=C3N(C2=O)C(C=C4C)(C)C)C)/SC1=S 1 4.253 2 2 -6.59299431602505 7317256 C1=COC(=C1)/C=C(/C(=O)NCCCN2C=CN=C2)\NC(=O)C3=CC=CO3 1 0.589 4 4 0 -15.9092565209333 7316188 C[C@@H]1C[C@@H](C2=C(N1N=O)C=CC(=C2)C)O 1 1.836 2 2 0 0.839411219795125 7315607 C1COC2=C(C=C(C(=C2)NC(=O)C3=CC=CC=C3)Cl)OC1 1 3.127 1 3 -4.75294158175151 7315606 C1COC2=C(C=C(C(=C2)NC(=O)CC3=CC=CC=C3)Cl)OC1 1 3.162 1 3 -5.41856687159994 7315552 CC(=O)C1=CC=CC2=C1N/C(=C/3\C(=O)C4=CC=CC=C4N3)/C2=O 1 1.846 2 3 0 -10.8108825305479 7315478 CCN1C(=NNC1=S)CCNC(=O)C2=CC=CC=C2Cl 1 2.423 4 1 -12.9541123809448 7315429 C1COCCOCCOC2=C(C=CC(=C2)C3=NC(=CN=C3)C#N)OCCOCCO1 1 1.045 3 6 0 -3.04462405876219 7315421 C1COCCOC2=C(C=C(C=C2)C3=CN=C(C(=N3)C#N)C#N)OCCOCCO1 1 1.483 4 5 0 -2.29385485028742 7315398 CCCSC1=NC(=NC(=C1)N2CCCC2)C3=CC=CC=C3 1 4.787 3 0 0.683906520520122 7315397 CC(C)SC1=NC(=NC(=C1)N2CCCC2)C3=CC=CC=C3Cl 1 5.305 3 0 1.37776420042052 7315396 CCCSC1=NC(=NC(=C1)N2CCOCC2)C3=CC=CC=C3Cl 1 4.678 3 1 -2.6904260388008 7315361 COC1=CC=C(C=C1)N(C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.01 2 4 -6.2802521768614 7315360 COC1=CC=C(C=C1)N(C(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.469 2 4 -4.42173735791603 7315339 COC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2C(=O)O 1 2.235 1 4 -9.7338300160366 7315336 CC1=CC=CC=C1CNC(=O)C2=CC=CC=C2C(=O)O 1 2.737 1 3 -10.6410535344938 7315332 CCOC(=O)NC1=NC(=C(S1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 5.246 2 3 0.161709302269589 7315331 CCOC(=O)NC1=NC(=C(S1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.582 2 3 -2.74896841787482 7314915 CC(=O)N1CCC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 0.305 3 3 0 -21.2112427913923 7314910 CC1=CC(=C(C=C1NC(=O)C)S(=O)(=O)NC)C 1 0.833 2 3 0 -12.5279639153992 7314901 CC1=CC(=CC=C1)NC(=O)CCSC2=NC(=CC(=N2)C)C 1 3.05 3 1 -9.16213544422699 7314670 CCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)C=CC(=C2)Br)O 1 3.349 0 4 -1.97410882003413 7314662 COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)C=CC(=C2)Br)O 1 3 0 4 -1.20788566832611 7314659 C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)C=CC(=C2)Br)O 1 3.017 0 3 -0.966863276266321 7314658 CCC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)C=CC(=C2)Br)O 1 3.959 0 3 -1.03435759496105 7314657 CC1=CC=CC(=C1)/C=C/C(=O)C2=C(C(=O)C=CC(=C2)Br)O 1 3.503 0 3 0.738510800692885 7314651 CCNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)Br 1 2.906 1 4 -5.38641562207076 7314647 CCNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=CC=C(C=C2)Cl)Br 1 3.803 1 2 -1.8976433095712 7314646 CCNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=CC=CC=C2Cl)Br 1 3.803 1 2 -1.97278070988646 7314643 CCNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=CC=C(C=C2)OCC)Br 1 3.471 1 3 -4.68053205780303 7314640 CNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)Br 1 2.558 1 4 -5.3632473318028 7314636 CNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=CC=C(C=C2)OC)Br 1 2.773 1 3 -4.1094399190342 7314634 CNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=CC(=CC=C2)OC)Br 1 2.773 1 3 -3.64125275654796 7314627 CNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=C(C=CC(=C2)OC)OC)Br 1 2.757 1 4 -4.63592215931071 7314626 CNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=C(C=C(C=C2)OC)OC)Br 1 2.757 1 4 -3.90066450659056 7314625 CNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=C(C(=CC=C2)OC)OC)Br 1 2.757 1 4 -4.55564831329297 7314608 CC1=CC(=C(C=C1)C)/C=C/C(=O)C2=C(C(=O)C=CC=C2)O 1 3.536 0 3 0.426035928460044 7314606 CC1=CC(=C(C=C1)/C=C/C(=O)C2=C(C(=O)C=CC=C2)O)C 1 3.536 0 3 -0.190933293729792 7314381 CCOC(=O)[C@H]1[C@H](ON=C1C2=C(C=C(C=C2OC)OC)OC)C(=O)OCC 1 1.933 1 8 0 -11.0859101417075 7314253 C1=CC(=CC=C1OCCSCC(=O)O)OCCSCC(=O)O 1 1.987 0 6 0 -8.11594820663103 7314247 CC(=O)C1=CC=CC=C1OCCOCCOC2=CC=CC=C2C(=O)C 1 2.794 0 5 -7.56631032050912 7314234 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C=CC=C3O 1 4.117 0 4 -2.32762484600571 7314123 COC(CNC(=O)C1=CN=CC=C1)OC 1 -0.175 2 3 0 -13.0426524403545 7314098 CC1=C(C=CC(=C1)O)NC(=O)CC2=CC=CC3=CC=CC=C32 1 3.802 1 2 -4.57718816015415 7314053 C1=CC2=C(C=CC=C2OC(=O)C3=CC=CO3)C(=C1)O 1 3.323 0 4 0.595438622205081 7314046 CC1=CC=CC=C1S(=O)(=O)OC2=CC=CC3=C2C=CC=C3O 1 4.117 0 4 -2.77817572499057 7313813 CC1=CC(=NC2=C(C(=NN12)N)N=NC3=CC4=C(C=C3)OCO4)C 1 2.598 6 2 0 -1.72407839110052 7313811 CC1=CC=C(C=C1)N=NC2=C3N=C(C=C(N3NC2=O)C)C 1 2.415 5 1 -2.32413011282264 7313810 CC1=CC(=NC2=C(C(=O)NN12)N=NC3=CC=C(C=C3)S(=O)(=O)N)C 1 0.634 6 3 0 -7.80622955232874 7313809 CC1=CC(=NC2=C(C(=O)NN12)N=NC3=CC=CC=C3F)C 1 2.134 5 1 -3.02065651429621 7313808 CC1=CC(=NC2=C(C(=O)NN12)N=NC3=CC(=CC=C3)Cl)C 1 2.593 5 1 0.254102884916717 7313807 CCOC1=CC=C(C=C1)N=NC2=C3N=C(C=C(N3NC2=O)C)C 1 2.261 5 2 0 -3.31502287934099 7313806 CC1=CC(=NC2=C(C(=O)NN12)N=NC3=CC(=CC=C3)OC)C 1 1.912 5 2 0 -1.64924294621768 7313804 CC1=CC(=NC2=C(C(=O)NN12)N=NC3=CC=CC(=C3)C(F)(F)F)C 1 2.871 5 1 1.14598254565088 7313803 C1OC2=C(O1)C=C(C=C2)NN=C3C(=NN=C3N)N 1 0.136 6 2 0 -4.66794670800555 7313792 C1=CC=C(C=C1)N2C(=N)C(=NNC3=CC(=CC=C3)Cl)C(=O)N2 1 2.76 5 1 -1.49229428285334 7313791 C1=CC=C(C=C1)N2C(=N)C(=NNC3=CC=CC=C3F)C(=O)N2 1 2.301 5 1 -4.17384025615035 7313789 CC1=CC=C(C=C1)NN=C2C(=N)N(NC2=O)C3=CC=CC=C3 1 2.582 5 1 -4.26057292675819 7313788 CCOC(=O)C1=NN(C(=C1C(=O)C)C)C2=CC=CC=C2F 1 2.78 2 3 -7.29126296028953 7313089 CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C(C)C 1 4.727 5 1 -18.1431022870476 7312627 CCCCC1=CC=C(C=C1)NC2=C(C=CC=N2)C#N 1 4.502 3 0 -0.819742346455804 7312626 CC1=CC(=C(C(=C1)C)NCC2=NC(=C(N=C2C)NCC=C)C#N)C 1 4.149 5 0 -6.78226803034421 7312564 C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)Cl)N 1 2.539 2 1 -5.45117986951326 7312502 CC(C)NS(=O)(=O)C1=CC2=C(CCN2)C=C1 1 1.35 2 2 0 -15.6700029368584 7312501 CCNS(=O)(=O)C1=CC2=C(CCN2)C=C1 1 0.973 2 2 0 -10.8616507710602 7312407 CC1=CC2=C(C=C1C)N=C(N2)/C=C/C3=CN=CC=C3 1 3.56 3 0 5.21313639954073 7312382 CC1=CC(=NC(=C1C#N)SC2=CC=C(C=C2)N)C 1 3.238 3 0 -1.90693995789938 7312244 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3 1 2.828 4 4 0 -4.61423826273805 7312243 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3)C 1 3.954 4 3 0 -1.18516346951715 7312196 CC1=CC(=C(C=C1NC(=O)C)S(=O)(=O)NC2=CC=CC=C2)C 1 2.41 2 3 -7.7672116695876 7312197 CC1=CC=CC=C1NS(=O)(=O)C2=C(C=C(C(=C2)NC(=O)C)C)C 1 2.896 2 3 -9.3728820001302 7312198 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=C(C(=C2)NC(=O)C)C)C 1 2.896 2 3 -6.07126012640842 7312199 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C(C(=C2)NC(=O)C)C)C 1 2.896 2 3 -7.79885412554806 7312201 CC1=CC(=C(C=C1NC(=O)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)C 1 2.04 2 5 0 -9.57588524795433 7312147 C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C43)[N+](=O)[O-] 1 4.325 3 3 -12.3003498689317 7312054 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.484 5 4 0 -6.27438999843263 7312033 CC(C)CCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC2=CC=CC=C2 1 4.102 2 2 -16.5942037152385 7312005 CC1=C(C(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=NC=C3)C 1 3.885 3 2 -4.87046748341417 7312003 COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=NC=C3 1 2.896 3 3 -7.28318276857018 7312002 CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=NC=C3 1 3.399 3 2 -8.44141953131251 7311963 CCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CN=CC=C2 1 2.332 2 3 -11.1390166705563 7311962 C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3)Cl 1 2.913 3 2 -7.87807382350534 7311959 CCOC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)C3=CN=CC=C3 1 2.581 3 3 -11.8837936634299 7311957 CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CN=CC=C3 1 3.399 3 2 -9.70725673138255 7311956 COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CN=CC=C3 1 2.896 3 3 -8.45162574211544 7311935 CCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 5.001 1 3 -5.810568639106 7311931 CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC2=CC=CC=C2 1 3.514 2 3 -12.9225003159437 7311907 COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.652 1 3 -4.473338495921 7311893 CSC1=CC=CC(=C1)NC(=O)CCC2=CC=CC=C2 1 3.647 1 1 -5.24549350800594 7311888 CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.485 1 4 -9.8268169485208 7311763 CC\1=NN(C(=O)/C1=C\C=C\C2=CC=CO2)C3=CC=C(C=C3)C(=O)OC(C)C 1 3.479 2 4 -4.98292661156081 7311268 CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CBr)OC(=O)C2=CC=CC=C2)O)O 1 1.287 0 6 0 -13.1409069771489 7309632 CC(=O)OCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 1 1.706 2 3 0 -16.1502836871039 7309622 CC1=C(C2=C(S1)N=C(NC2=O)CN3CCOCC3)C4=CC=CC=C4 1 1.973 3 2 0 -6.7150779199843 7309570 CCCCSC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)C#N 1 4.266 3 0 -1.69335043216191 7309526 CC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)NCC4=NC5=CC=CC=C5N4C 1 5.414 5 0 3.49023207027203 7309417 C1OC2=C(O1)C=C(C=C2)NNC3=C(N=NC3=O)N 1 0.975 5 3 0 -6.21245747725346 7309415 COC1=CC=CC(=C1)NNC2=C(N=NC2=O)N 1 1.191 5 2 0 -3.31214872644805 7309413 CC1=CC=C(C=C1)NN=C2C(=O)NN3C2=NC(=CC3=O)C 1 1.343 5 2 0 -6.92957321821486 7309412 CC1=CC(=O)N2C(=N1)C(=NNC3=CC=CC=C3)C(=O)N2 1 0.857 5 2 0 -6.8979307622544 7309410 CCOC1=CC=C(C=C1)NN=C2C(=O)NN3C2=NC(=CC3=O)C 1 1.189 5 3 0 -7.92046598473322 7309408 CC1=CC(=O)N2C(=N1)C(=NNC3=CC(=CC=C3)OC)C(=O)N2 1 0.841 5 3 0 -6.68073382461335 7309405 CCOC1=CC=C(C=C1)NN=C2C(=O)NN3C2=NC4=C(C3=O)CCCC4 1 2.244 5 3 0 -10.2320102993336 7309404 C1CC2=C(C1)N=C3C(=NNC4=CC=CC=C4)C(=O)NN3C2=O 1 1.456 5 2 0 -8.90066495597013 7309402 CCOC1=CC=C(C=C1)NN=C2C(=O)NN3C2=NC4=C(C3=O)CCC4 1 1.788 5 3 0 -9.92320017844895 7309400 C1CCC2=C(C1)C(=O)N3C(=N2)C(=NNC4=CC(=CC=C4)Cl)C(=O)N3 1 2.576 5 2 0 -6.18714806805183 7309397 COC1=CC=CC(=C1)NN=C2C(=O)NN3C2=NC4=C(C3=O)CCC4 1 1.439 5 3 0 -8.68346801832908 7309396 C1CCC2=C(C1)C(=O)N3C(=N2)C(=NNC4=CC=CC(=C4)C(F)(F)F)C(=O)N3 1 2.854 5 2 0 -4.57020473513254 7309373 C1CC2=C(C1)N=C3C(=NNC4=CC(=CC=C4)Cl)C(=O)NN3C2=O 1 2.12 5 2 0 -5.87833794716716 7309334 C1[C@H]([C@@H](OC2=CC=CC=C21)C3=CC=CC=C3)O 1 2.989 0 2 3.10990245763167 7309194 CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)N3CCOCC3)C 1 2.814 2 3 -19.3248751448422 7309015 CC1=CC(=O)OC2=C1C=CC(=C2C(=O)/C=C\C3=CC(=C(C=C3)OC)OC)O 1 3.943 0 6 -4.16908994925548 7309014 CC1=CC(=O)OC2=C1C=CC(=C2C(=O)/C=C\C3=CC=C(C=C3)OC)O 1 3.959 0 5 -0.301398154868379 7308671 CCCCCN1C=CC(=O)C2=C1C=CN=C2C(F)(F)F 1 3.571 2 1 -2.84917650718196 7308519 CCCCC1=CC=C(C=C1)C2=CSC(=N2)/C(=C\C3=CC=CO3)/C#N 1 5.714 2 1 -8.77859251542454 7308510 C1=CC=C(C=C1)C2=CC=C(O2)/C=C(/C#N)\C3=NC(=CS3)C4=CC=CS4 1 5.622 2 1 -6.9958503660587 7329118 CN1C2=CC=CC=C2C=C1C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.869 3 1 3.17647310065327 7329099 CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=C(C=C(C=C3)OC)OC)C 1 3.858 2 3 -3.45350085042472 7329097 CC1=CC2=C(C=C1)N(C(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)C 1 3.538 4 1 2.92209771522623 7329083 CN1C2=CC=CC=C2C=C1C(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.052 4 1 1.18448518932846 7329071 CC1=CC2=C(C=C1)N(C(=C2)C(=O)NCC3=CC=CC=C3)C 1 3.898 2 1 -1.66520003097227 8534185 CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3CC3 1 2.371 2 1 -0.204346312577971 8533654 CCN(CC1=CC=CC=C1)CC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C 1 3.183 3 2 -12.2055103454251 8533565 CCN(CC1=CC=CC=C1)CC(=O)NCC(=O)NC2=CC=CC(=C2C)C 1 2.92 3 2 -8.87834627573653 8533445 CCN(CC1=CC=CC=C1)CC(=O)NC(=O)NCC2=CC=CO2 1 1.857 3 3 0 -7.2768886905383 8533440 CCN(CC1=CC=CC=C1)CC(=O)NC(=O)NC2CCCC2 1 2.494 3 2 -6.33911803471221 8533408 CCN(CC1=CC=CC=C1)CC(=O)NC(=O)NC2CCCCC2 1 2.95 3 2 -6.69358654888029 8530807 C1CC1NC(=O)C2=CC=CC=C2NC(=O)CN3CCC(CC3)C(=O)N 1 0.128 4 3 0 -12.5642874122661 8528787 C1CN(CCN1CCS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C3=CC=CC=C3O 1 4.21 2 3 0.361725769839034 8528677 C1CN(CCN1CC2=NC=C(O2)C3=CC=CC=C3)C4=CC=CC=C4O 1 3.191 3 2 9.61271481124158 8524336 COC1=CC=CC=C1CCC(=O)OCC(=O)NC2CCCC2 1 2.621 1 4 -15.9399646792901 8536826 CC1=CC(=C(N1C2CC2)C)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Cl 1 2.956 3 2 -5.64147641744898 8522807 CC(C)(C)C(=O)NCC1=CC=C(S1)C(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.478 3 4 0 -14.1731105459207 8522790 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4 1 1.073 4 4 0 -15.523951767588 8522549 CC(=O)C1=C(C=CC(=C1)Cl)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 2.606 1 5 -17.702391344642 8522017 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)C3=CC=C(S3)CNC(=O)C(C)(C)C 1 3.186 3 4 0 -15.4448094696821 8522012 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4 1 1.325 4 4 0 -16.4411821771813 8520992 CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CNC(=O)C3=CC(=CC=C3)C 1 3.614 1 6 0 -7.81290412918543 8520905 COC1=CC=C(C=C1)OCC(=O)OCC(=O)C2=CC(=C(C=C2)OC)F 1 2.949 0 6 -10.4516241527777 8535454 CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CNC(=O)C3=CC=CC=C3OC 1 3.111 1 7 0 -10.2812352317742 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-4.31483933518893 8442471 C1CCC(C1)N2C(=CC=N2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4O 1 2.52 5 2 0 -23.9243710477611 8441933 C1COCCN1C2=NC(=NS2)C3=C(C=C(C=C3)Cl)Cl 1 2.878 3 1 4.57903815067776 8441798 CCC1=NN=C(S1)NC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 3.287 4 1 -11.7692499091033 8441531 CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 4.665 2 3 -9.77244370835264 8441513 COC1=C(C=C(C=C1)Cl)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CS4 1 4.134 3 3 -8.07520940356356 8441346 CCC1=NN=C(S1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)C(=O)C 1 2.961 3 3 -10.3225455737026 8440498 CCC1=NN=C(S1)NC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 0.555 5 3 0 -15.2008222672555 8440427 CC(C)(C)CC1=NC2=C(C(=N1)SCC3=CC=CC=N3)C(=O)N(C(=O)N2C)C 1 3.002 5 2 0 -13.5414111464866 8439729 CCOC(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2 1 2.577 3 3 -16.7929426208541 8439723 CCOCCSC1=NNC(=O)N1CCC2=CC=CC=C2 1 2.739 3 2 -13.424201705669 8439437 CC(C)N(C(C)C)C(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2 1 3.24 4 2 -16.330663602961 8439403 CCCNC(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2 1 2.453 4 2 -20.8430109424867 8439366 CCN(CC)C(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2 1 2.485 4 2 -19.6533824958766 8439357 COCCNC(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2 1 1.45 4 3 0 -22.264318544668 8439295 CN(C)C(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2 1 1.787 4 2 0 -14.955491652152 8438809 CC(C)SC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.666 3 3 -14.6567253633597 8438774 CCCSC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 3.535 3 1 -18.9819439355446 8438755 COC(=O)CSC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 2.37 3 3 -23.9172797957598 8438747 COC(=O)CSC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3 1 1.647 3 5 0 -23.1172139010685 8438614 C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CC3=CC=CS3 1 3.001 3 1 -10.5563165484695 8438611 CC(C)C1=NN=C(S1)NC(=O)COC2=CC3=CC=CC=C3C=C2 1 3.222 3 2 -8.0209428435104 8438517 C1CC2=NC3=C(C=CC(=C3)C(=O)NCCC4=CC=C(C=C4)F)C(=O)N2C1 1 2.608 3 2 -13.6752383300003 8432211 CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)COC2=CC=CC=C2 1 1.935 1 5 0 -13.0013881893989 8431942 CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=CC=C(C=C2)OC 1 2.083 1 5 -12.2149633177358 8429366 C[C@@H]1CN(C[C@@H](O1)C)CC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 2.594 3 2 2.54267854688772 8421104 CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC=NC4=C3C=CS4 1 3.159 3 3 -18.2407229644635 8417363 C1=CN=CC=C1CNC(=S)NC2=CC(=CC(=C2)Cl)Cl 1 4.274 3 0 -6.429166773307 8416706 CC1=C(SC=C1)/C=C/C2=NNC(=O)C(=C2C)C#N 1 2.63 3 1 -7.1574378335215 8416681 CC1=C(C(=O)NN=C1/C=C/C2=CC(=CC=C2)OC)C#N 1 2.174 3 2 -5.11040658775527 8414650 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C(NC3=O)(C)C 1 0.663 4 5 0 -22.7039282911351 8414636 CC1(C(=O)N(C(=O)N1)CC(=O)N(C)CC(=O)NC2=C(C=CC(=C2)Cl)OC)C 1 0.391 4 5 0 -16.9758295918287 8414614 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CN2C(=O)C(NC2=O)(C)C 1 0.716 4 4 0 -18.8141672851587 8414589 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)C 1 -0.103 4 5 0 -24.7988326886065 8414192 C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=NNC(=S)S3 1 3.79 3 1 -6.38113418181019 8414103 COC1=C(C=C(C=C1)Cl)S(=O)(=O)NCC2=CC=NC=C2 1 1.822 2 3 0 -2.7440856363492 8414062 CC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.895 3 2 -3.95942080948252 8410055 CC1=CC=C(S1)C(=O)CSC2=NN=C3N2CCCCC3 1 3.266 3 1 -13.6018570210097 8407897 COC1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.047 1 5 -14.477264117051 8407895 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)OC 1 3.538 1 5 -20.1148326994051 8405963 C1CN(CCN1C2=CC=CC=N2)C(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 1.991 4 4 0 -6.99843792793672 8402716 CCN(CC1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 1.785 2 5 0 -15.175865239529 8402671 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N(C)CC2=CC3=C(C=C2)OCCO3)OC 1 1.42 2 6 0 -18.3808511813097 8402637 CN(CC1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.299 1 5 -5.89936181867085 8402127 C1CC1NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 1.699 5 2 0 -17.8752269434324 8392125 CC1=C(C(=NO1)C)C(=O)OCC(=O)C2=C(C=C(C=C2)NC(=O)C)F 1 1.149 2 5 0 -13.9894493672227 8390715 CC1CCN(CC1)C(=O)COC(=O)C2=NN(N=C2C)C3=CC=CC=C3 1 2.407 4 3 0 -13.7168978518412 8388788 COC1=CC=CC=C1CCNC(=O)CN2C3=CC=CC=C3OC2=O 1 2.494 2 4 -13.5339748914214 8388664 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CN2C3=CC=CC=C3OC2=O 1 1.431 3 5 0 -11.2631964900378 8386244 CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=C(O3)C4CC4 1 3.797 3 2 -8.4035212229933 8385061 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CN2C(=O)C3(CCCC3)NC2=O 1 0.403 4 5 0 -13.4080147849423 8385043 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.067 4 5 0 -13.7329433584366 8385034 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.391 4 4 0 -15.5712810517665 8385032 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.918 4 4 0 -15.392765668803 8384995 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCCC3=CNC4=CC=CC=C43 1 2.231 4 3 0 -14.6470300775137 8384901 CCNC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 1.166 4 4 0 -14.3751939484604 8384878 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCCCSC3=CC=CC=C3 1 2.286 3 3 -13.6980333187418 8384868 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCC(=O)NC3=CC(=C(C=C3)F)F 1 1.08 4 4 0 -13.0295415746059 8384866 COC1=CC=CC=C1OCCNC(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 1.649 3 5 0 -15.0732968005067 8384828 CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CN3C(=O)C4(CCCCC4)NC3=O 1 1.957 3 5 0 -15.1770227063413 8384826 CN(CC1=CC2=C(C=C1)OCCO2)C(=O)CN3C(=O)C4(CCCCC4)NC3=O 1 1.608 3 5 0 -12.8659366460106 8384806 CN(CCOC1=CC=C(C=C1)Cl)C(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 2.535 3 4 0 -8.10333860359066 8382147 C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(N=CC=C3)SC(F)F)[N+](=O)[O-] 1 3.504 2 6 0 -9.98557972677695 8381818 C1CC1NC(=O)COC(=O)C2=C(N=CC=C2)SC(F)F 1 1.987 2 3 0 -16.0881037973941 8377584 CC1=NOC(=C1C(=O)NC2=CC=C(C=C2)C3=NN=C4N3CCCCC4)C(C)C 1 3.549 5 2 0 -12.0578862886536 8377206 C1CCCC(CC1)NC(=O)CC2=CC=C(C=C2)O 1 3.145 1 2 -5.72287831654481 8373681 COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=C(N=CC=C2)SC 1 2.838 1 5 -15.2816316237798 8369085 CC(=O)NCCC1=CC=C(C=C1)C(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.66 3 3 0 -12.1433001543449 8368789 COC1=CC(=C(C=C1)OC)C(=O)CN2C=NC3=CC=CC=C3C2=O 1 2.179 2 4 -8.45167934741399 8363121 CC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)S(=O)(=O)N(C)C 1 2.171 2 3 -11.9520118365281 8362990 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 2.06 4 3 0 10.1744314940804 8362560 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)Cl 1 3.185 2 3 -18.3678289895487 8361988 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CC3=CC=CC=C32 1 3.602 3 2 -11.2805475752039 8357191 C1=CC(=CC=C1C(=O)CCCOC(=O)C2=C(C=C(C=C2)O)O)Br 1 3.775 0 5 -1.12364324430759 8357053 C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=C(C=C(C=C3)O)O 1 2.225 0 7 0 -7.15404942182564 8356925 C1=CC(=C(C=C1O)O)C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 2.555 2 5 0 -0.138589822656116 8356901 CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)C2=C(C=C(C=C2)O)O 1 2.774 1 5 -5.53634504284308 8353635 COC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)N3C=NN=N3)OC 1 1.304 5 4 0 -21.6283972714062 8353562 C1=CC(=CC=C1N2C=NN=N2)OCC(=O)NC3=CC(=CC(=C3)Cl)Cl 1 2.665 5 2 0 -15.366502352927 8351870 COC1=CC=CC=C1C(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.811 4 4 0 -21.3189308125101 8351751 CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3 1 2.16 4 4 0 -21.5713141265672 8351312 COC1=C(C=C(C=C1)S(=O)(=O)NCC2(CCCCC2)N3CCOCC3)OC 1 2.249 2 5 0 -11.9873117529387 8351272 C1CCC(CC1)(CNS(=O)(=O)C2=CC=CC=C2Cl)N3CCOCC3 1 2.946 2 3 -8.66159078267307 8351269 C1CCC(CC1)(CNS(=O)(=O)C2=C(C(=C(C=C2)F)F)F)N3CCOCC3 1 2.898 2 3 -6.35961898185837 8351209 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2(CCCCC2)N3CCOCC3 1 1.402 3 4 0 -11.2407127953453 8350564 C1=CC=C2C(=C1)C(=O)C=NN2CC3=C(C=CC=C3Cl)Cl 1 4.515 2 1 -0.776309506669499 8349938 CCNC1=NN=C(S1)SCC(=O)C2=C(N(C(=C2)C)C3CC3)C 1 2.408 4 1 -16.7740672081483 8348973 CC1=C(C(=NO1)C)S(=O)(=O)N(C)CC2=C(C(=CC=C2)OC)OC 1 1.379 2 5 0 -5.30018664223197 8348192 CC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)NCC2=CC=CO2 1 1.085 1 6 0 -18.6431700967169 8346693 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3=CC=CC=C3CN4CCOCC4 1 2.735 4 3 0 -11.8322155561391 8342656 CC(=O)C1=CNC(=C1)C(=O)NC2=CC=C(C=C2)N3CCCCCC3 1 3.275 3 2 -3.15015012686072 8341206 COC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 1.205 4 6 0 -14.2339428027881 8340296 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCCC3=O)CCOC)C 1 1.829 3 4 0 -27.3375550171796 8339685 CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)NC3=C(C=CC=C3F)F 1 2.705 4 2 -11.7613968962186 8339669 CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)N(C)C3=CC=CC=C3 1 2.5 4 2 -11.8477369661458 8338653 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)C4CC4 1 3.698 4 2 -14.4341210207432 8338478 CN1C(=NN=C1SCC(=O)NC2=NN=C(O2)C3=CC=CC=C3)C4CC4 1 1.979 6 2 0 -10.6309054096858 8331742 CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C3CC3)C)CCC(=O)N 1 1.646 5 2 0 -17.031990411461 8331544 C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=C(O3)Br 1 3.173 3 3 -11.3115216160816 8331535 C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=CO3 1 2.605 3 3 -9.9983116316329 8321458 CC1=CC(=C(C=C1)S(=O)(=O)N2CCNC(=O)C2)C 1 0.797 2 3 0 -15.9524082743062 8321164 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)CSC3=CC=CC=C3F 1 2.329 3 3 -15.1547440072924 8320968 C1=CC=C(C(=C1)OCCNS(=O)(=O)C2=CC=CC(=C2)C#N)F 1 2.457 2 3 -7.25415061057583 8320965 C1=CC=C(C(=C1)OCCNS(=O)(=O)C2=CC(=CC=C2)Br)F 1 3.327 1 3 -3.73496682798908 8320592 CCN(CC(=O)NCC1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)F 1 1.884 2 3 0 -20.9622736372618 8320218 CN(CCOC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2C#N 1 2.458 2 3 -7.50553667412508 8319306 COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)/C=C/C3=CC=CC=C3)OC 1 2.514 1 4 -8.19931402152509 8317344 COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br 1 1.629 1 4 0 -12.4920224665425 8333538 CCC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=C3F)CC 1 1.989 4 3 0 -4.8854300214163 8333174 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C 1 1.679 4 3 0 -2.49295978440414 8309108 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CCC3=CC=C(C=C3)OC 1 3.45 3 4 0 -10.3401054600327 8305336 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC(=O)C3=CC=CO3 1 2.64 2 4 -0.205719245153253 8304183 CC1=CSC(=N1)SCC(=O)NC2CCCC2 1 2.113 2 1 -17.2562511576459 8304066 CC1=CSC(=N1)SCC(=O)N(C)CC(=O)NC2=CC=CC=C2Cl 1 2.218 3 2 -19.8513315971205 8303581 CC1=C(C=CO1)C2=NN=C(O2)SCC(=O)N(C)C3=CC=CC=C3 1 2.304 3 3 -14.5448231146994 8303052 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=NN=CS2 1 0.953 4 2 0 -17.4983106269252 8303044 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)CSC2=NN=CS2 1 1.412 4 2 0 -18.2095233809643 8303014 CC1CCC(CC1)NC(=O)CSC2=NN=C(O2)C3=C(OC=C3)C 1 2.631 3 3 -20.1464168550431 8302969 CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NN=CS2)N 1 6.9e-002 5 3 0 -14.2510224203978 8302771 COC1=CC=CC=C1C(=O)NC(=O)CSC2=NN=CS2 1 1.337 3 3 0 -14.9519459448399 8302690 C1=COC(=C1)C(=O)NNC(=O)CSC2=NN=CS2 1 0.134 4 3 0 -15.3184319237561 8302678 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)CSC3=NN=CS3 1 1.322 5 2 0 -9.8702756411807 8301003 CC1=NN=C(S1)SCC(=O)NC(=O)C2=CC=CC=C2OC 1 1.598 3 3 0 -19.078670723528 8300983 CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3F 1 3.26 3 2 -13.3828682101104 8300941 CC1=NN=C(S1)SCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 1.583 5 2 0 -13.9970004198689 8300871 C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3F 1 3.136 4 2 -14.7857229543309 8300303 C1CN(C(=O)N1)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3F 1 1.282 4 3 0 -19.6928815789621 8300116 CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(O3)C(=O)OC 1 4.021 2 4 -18.7866932955485 8300040 C1CN(CCC1C(=O)N2CCN(CC2)C3=NC=CC=N3)C(=O)C4=CC=C(C=C4)Cl 1 1.546 5 2 0 -1.89173879363846 8300016 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=CC=N3 1 1.012 4 4 0 -12.2465949040931 8299957 C1=CC=C2C(=C1)N=CC(=N2)C(=O)OCC3=C(C=CC=C3Cl)F 1 4.031 2 2 -5.79335772832226 8296949 C1=CC=C(C(=C1)CNC(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2)F 1 3.616 5 1 -22.1115121275363 8296385 COC1=CC=CC=C1OCC(=O)OCC2=NOC(=C2)C3=CC=CO3 1 2.962 1 6 0 -9.63884079003975 8295963 COC1=C(C(=CC=C1)OC)C(=O)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3 1 4.353 1 5 -9.67124525283818 8295475 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=C(S3)CCCCC4 1 4.649 2 2 -4.52459583925419 8294576 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(S3)CCCCC4 1 4.649 2 2 -5.52750766200918 8286651 CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C2CC2)F 1 1.36 1 4 0 -10.7568860496859 8285101 C1CCC(CC1)(C#N)NC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 2.426 3 4 0 -10.2328249426817 8284606 C1CC1NC(=O)C2=CC=CC=C2NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 2.042 3 5 0 -14.5487505473405 8284116 C1CC1NC(=O)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3Cl 1 2.812 2 3 -13.2029027511838 8283075 CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=CO2)F 1 1.662 1 5 0 -7.46472839585962 8280181 C1CC1NC(=O)/C(=C/C2=CC(=C(C=C2)F)Br)/C#N 1 2.788 2 1 -11.9544332866966 8280154 C1CC1NC(=O)/C(=C/C2=C(C=CC(=C2)Br)F)/C#N 1 2.788 2 1 -9.06492677700535 8280042 C1CC1NC(=O)/C(=C/C2=CC=CC=C2Br)/C#N 1 2.583 2 1 -12.0902338599763 8279977 C1CC1NC(=O)/C(=C/C2=C(C=CC=C2Cl)F)/C#N 1 2.704 2 1 -13.0279575188868 8277238 CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3CC3 1 3.162 3 2 -11.3890984531676 8275599 CCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=NC=C2)/C#N 1 2.713 3 1 -11.5601486531377 8272034 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.15 1 4 2.83896273778915 8271986 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)C3=CC=CC=C3Cl 1 2.485 1 4 -1.67498792802018 8271970 CC1=CC(=C(N1C(C)C)C)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.138 2 4 -4.59862581353397 8271924 CCN1C(=CC(=C1C)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C 1 1.76 2 4 0 -5.14812771164106 8264012 CC1=CC=C(C=C1)NC(=O)CSCC2=CC(=O)N3C=CSC3=N2 1 1.782 3 2 0 -19.4711306178477 8263975 COC1=CC=CC(=C1)NC(=O)CSCC2=CC(=O)N3C=CSC3=N2 1 1.28 3 3 0 -19.5273914323042 8259799 C1=CC=C2C(=C1)N=C(S2)/C(=C\C3=CC(=CC=C3)O)/C(=O)NC4=CC=C(C=C4)Cl 1 5.474 2 2 1.26838824181466 8257101 CCC1=NN2C(=O)C=C(N=C2S1)CSCC(=O)NC3=CC=CC=C3F 1 2.787 4 2 -20.9680019849492 8255629 CN(C)S(=O)(=O)C1=CN=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.299 3 5 0 -18.2842346983307 8254583 CC1=CC=C(S1)C(=O)COC(=O)C2=CN=C(C=N2)C 1 1.45 2 3 0 -13.8687662283453 8254091 COC1=C(C=C(C=C1)Cl)CN2C(=O)C3(CCCCCC3)NC2=O 1 3.661 2 3 -0.788557811827213 8250515 CC(=O)NC1=CC=C(C=C1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 1.939 3 2 0 -8.26391616923219 8249016 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)NC4CC4 1 2.257 3 4 0 -12.5052517484848 8246922 C1OC2=C(O1)C=C(C(=C2)CSC3=NC=CC=N3)Br 1 3.214 2 2 -3.67984095089055 8246695 COC1=CC=C(C=C1)CCOC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-] 1 2.721 2 5 0 -4.98069702981037 8246466 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC3(CCCCC3)C#N 1 1.494 6 3 0 -18.513533049534 8246323 CC1=CC=C(S1)C(=O)COC(=O)C2=CC(=CC=C2)O 1 2.798 0 4 -7.53402315227614 8246167 CC1=CC=C(S1)C(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 2.769 1 6 0 -12.6906604212816 8246092 COC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC=C(O3)Br 1 2.799 2 5 0 -4.92978625393378 8246087 CC1=CC=C(S1)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2 1 2.1 1 4 -14.9888684489741 8245896 CC1=NN=C(N1C2CC2)SCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.793 5 1 -8.23064747939142 8245895 CC1=NN=C(N1C2CC2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.334 5 1 -12.0600312824125 8239952 COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=CC=NN3C4CCCC4 1 2.745 5 2 0 -27.1718543869498 8239234 CN1C(=C(C(=O)NC1=O)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)N 1 1.805 6 3 0 -6.87145604740638 8234051 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CC2CCCC2 1 3.439 2 5 0 -10.8966362986473 8234026 COC1=C(C=C(C=C1)NC(=O)COC(=O)CC2CCCC2)Cl 1 3.221 1 4 -9.95338756790969 8233956 CCC1=CC=CC(=C1NC(=O)COC(=O)CC2CCCC2)C 1 4.001 1 3 -11.9381321093578 8233782 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.735 2 7 0 -9.27095245276218 8233772 C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.752 2 6 0 -8.91490879746135 8233711 C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.603 3 5 0 -8.02361410717023 8229332 CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=C(S3)NC 1 2.059 4 1 -16.8193780218886 8226399 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)COC(=O)C3=CC=C(C=C3)O 1 2.701 2 4 -13.1240485149122 8225706 C1CN(C2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-] 1 4.689 3 2 -13.3287589235687 8225401 CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.28 4 3 0 -6.44663984709945 8225066 CCN(CC(=O)NCC1=CC=CS1)C(=O)COC2=CC=C(C=C2)C(=O)C 1 1.551 2 4 0 -22.7105226393989 8224611 C1CN(CCN1C(=S)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.632 3 2 -25.3528014790267 8220578 CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C2CCCCC2)F 1 2.729 1 4 -7.36220744394615 8219209 CNC1=CC=CC=C(C1=O)C(=O)/C=C/C2=CC=CC=C2OC 1 2.32 1 3 -5.37029154677116 8219205 C1=CC=C(C(=C1)/C=C/C(=O)C2=C(C(=O)C=CC=C2)O)Cl 1 3.228 0 3 0.279856672071452 8219202 CN1CC2=C(N=CC=C2)N(CC3=C1C=CC(=C3)Cl)C 1 3.544 3 0 1.66013033743402 8219193 CC1=NN(C2=C1C(=O)/C(=C/NC3=CC=CC=C3C(=O)OC)/CC2)C4=CC=CC=N4 1 3.227 4 3 0 -9.31622859267992 8219179 CCOC(=O)CN1C(=O)C2=C(C3=C(C4=C(CCC4)N=C3S2)C5=CC=CC=C5)N=N1 1 4.672 4 3 0 -15.8193278841886 8232890 CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC=CC=C2N3CCCC3 1 4.045 2 2 -4.29411871088543 8232877 C1CCN(C1)C2=CC=CC=C2NC(=O)CC3=CC(=CC=C3)C(F)(F)F 1 4.215 2 1 -1.73757900550507 8232869 COC1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2N3CCCC3 1 3.256 2 2 -5.60491483870725 8232846 COC1=CC=CC=C1CC(=O)NC2=CC=CC=C2N3CCCC3 1 3.256 2 2 -8.06931382325192 8232844 CC1=C(C(=CC=C1)OCC(=O)NC2=CC=CC=C2N3CCCC3)C 1 4.045 2 2 -3.26420390535062 8231972 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3CC3)CCC(=O)N 1 0.296 6 3 0 -24.4271606765254 8231769 CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=C(N3C)CCC(=O)N 1 1.298 5 2 0 -15.6729822582537 8209243 CCCCC1=NN2C(=N)CC(=O)N=C2S1 1 2.098 4 1 -10.9212776607964 8208942 CC1=CC(=C(C(=C1)C)NN=C2C(=O)C3=CC=CC=C3C2=O)C 1 4.484 2 2 0.239508102533191 8208756 CC1=CC=CC(=C1)/C=C\C2=NC(=O)C3=CC=CC=C3N2 1 3.447 2 1 -1.43554771294653 8196429 C1=CC=C(C(=C1)C(=O)O)OCC2=NC3=CC=CC=C3S2 1 3.304 1 3 -1.8944064648119 8195766 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC=C(C=C2)C 1 2.356 4 3 0 -10.3843892235351 8195648 CC1=C(C(=CC=C1)NC(=O)CNC(=O)CC2=CC3=C(C=C2)OCCO3)C 1 2.467 2 4 -12.516492549315 8195643 CC1=CC=C(C=C1)OCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.762 2 4 -19.5979010221384 8195637 C1=CC=C(C(=C1)F)S(=O)(=O)NNC2=CC(=CC=C2)[N+](=O)[O-] 1 2.439 3 4 0 -6.55877283770897 8195602 CC1=NN=C(S1)SCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3 1 1.713 4 3 0 -24.2009543793271 8195591 COC1=C(C(=CC=C1)OC)C(=O)OCC(=O)NC2CCCCCC2 1 3.026 1 5 -12.4076667049784 8195569 COC1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 1.643 2 5 0 -18.6702637079028 8195568 C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 2.086 2 4 -13.1101549893267 8195567 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CS3)F 1 1.613 2 4 0 -21.0457417607843 8195562 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)OCCO3 1 1.501 2 6 0 -17.3051861359786 8195496 C1=CC(=CC(=C1)N2C=NN=N2)C(=O)NC3=C(C=CS3)C#N 1 1.167 6 1 0 -21.4022447203136 8195490 CCC1=CC=CC(=C1NC(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32)C 1 2.89 3 3 -10.5000011168285 8195483 CC1(C(=O)N(C(=O)N1)CCCC(=O)NC2=CC=C(C=C2)C(F)(F)F)C 1 1.989 3 3 0 -9.31806467002382 8195395 CC1=C(C(=CC=C1)NC(=O)[C@@H]2CCCN2C3=NS(=O)(=O)C4=CC=CC=C43)C 1 3.031 3 3 -4.87313422152993 8195383 CCC1=CC=CC=C1OCC(=O)NC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 2.402 2 5 0 -19.8362825023412 8195379 CC1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)COC2=CC=CC=C2C#N 1 1.779 3 5 0 -15.3992549979386 8195376 CC1=CC=CC(=C1C)C(=O)OCC(=O)C2=CC=C(S2)CC(=O)N3CCOCC3 1 3.295 1 5 -14.5542606556804 8195346 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)N4C=CC=CC4=N3)C 1 1.621 4 3 0 -18.4991647849728 8195301 CC1=CN=C(S1)NC(=O)C2=CC3=C(C=C2)OCCO3 1 1.543 2 3 0 -8.40896344158202 8195288 CC1=CC=C(C=C1)OCCNC(=O)C2=NC3=CC=CC=C3C=C2 1 3.771 2 2 -8.87352404600074 8195285 CN(CC1=CC=C(C=C1)Cl)C(=O)C2=NC3=CC=CC=C3C=C2 1 4.106 2 1 -3.49307007563874 8195241 C1=CC=C(C=C1)CCNC2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)F 1 4.176 2 2 -7.58847462491777e-002 8195158 CCC1=CC(=CC=C1)NC(=O)[C@@H]2CCCN2C3=NS(=O)(=O)C4=CC=CC=C43 1 3.001 3 3 -5.66797315432701 8195135 C1CC1NC(=O)CNC(=O)C2=CC=C(C=C2)Br 1 1.335 2 2 0 -12.6372173310543 8195133 CC1=C(SC=C1)C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)OC 1 2.001 2 5 0 -15.8986328032149 8195052 CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3Cl 1 2.123 3 3 -8.77481701247157 8195007 CC1=CC(=C(C=C1)C)OCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.248 2 4 -18.6736196778096 8194972 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N(C)CC3=CC=C(C=C3)OC(F)F 1 3.349 3 3 -3.93588872155574 8194854 CCOC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2)OCCCO3 1 2.183 2 4 -12.3115707936699 8194744 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.224 2 3 -13.533770548005 8194733 COC1=C(C=C(C=C1)CCC(=O)OC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)OC 1 3.43 0 8 0 -13.9021889454804 8194675 CC1=CC=CC=C1OCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.429 1 6 0 -13.1556912677537 8194669 COC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.559 1 6 0 -10.5499527074266 8194605 CC1=C(C(=CC=C1)NC(=O)CN(C)C(=O)C2=NC3=CC=CC=C3C=C2)C 1 3.467 3 2 -8.86545489049035 8194582 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=N3)C)C 1 3.05 3 3 -16.1508641001844 8194573 CC1=CC=C(C=C1)C(=O)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)OC)O 1 3.56 2 4 -0.587461040660827 8194517 CC1=CC=CC(=C1)/C=C(\C#N)/C(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 3.784 2 2 -8.51434108470909 8193434 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N3CCCCC3)OC 1 2.501 3 4 0 -13.3133260883551 8191671 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 1.755 2 4 0 -14.4315370096126 8190403 COC1=CC=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.879 2 5 0 -12.3859352619483 8189733 C1=CC(=CC(=C1)Cl)S(=O)(=O)NC2=CC=C(C=C2)N3C=NN=N3 1 1.868 5 2 0 -12.0032239677841 8189726 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C=NN=N3)F 1 1.41 5 2 0 -12.521535415987 8189723 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C=NN=N3 1 1.69 5 2 0 -13.0673203106363 8189722 C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C=NN=N3 1 0.991 5 2 0 -14.184429819288 8187608 CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CN3C(=O)C4(CCCC4)NC3=O 1 3.429 3 3 -6.37435289451186 8186050 C1=CC=C(C=C1)C(=O)N2C(=O)C(=CN(C2=O)COCCBr)F 1 1.419 2 4 0 -7.13091010731313 8185635 CCN(CC)C1=N/C(=C\C2=CC=C(C=C2)OC)/C(=O)N1C3=CC=CC=C3 1 3.666 3 2 -7.04148204545311 8184158 CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)NCCCN3C=CN=C3)C 1 2.724 4 2 -17.1048624895916 8184016 C[C@@H]1[C@H](C[C@H]([C@H](O1)OC)NC(=O)OCC2=CC=CC=C2)O 1 1.314 1 5 0 -6.94585419367694 8183699 CC1=CC=C(C=C1)C(=O)C(=S)N2CCOCC2 1 2.727 1 2 -7.07114602266513 8181355 CCOC1=CC=CC=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 3.064 2 2 -4.57009790215991 8180381 CCC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)C 1 2.037 4 1 -2.24414989077663 8180374 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 1.367 5 2 0 -5.52986930955768 8180364 CC1=NN(C(=C1C(=O)NNC(=O)C2=CC=CC=C2O)Cl)C3=CC=CC=C3 1 2.597 4 3 0 -2.57336721898797 8180071 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N2CCCC2 1 4.754 1 2 -6.23294102743495 8179316 CCC1=CC=CC=C1NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2 1 0.577 3 3 0 -11.1510064548513 8179254 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2 1 -0.626 3 4 0 -11.691978499226 8179231 CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2 1 1.035 3 3 0 -6.54288042699355 8178372 C1=CC=C2C(=C1)NC(=N2)C(=O)/C=C/C3=CC(=CC=C3)Cl 1 4.288 2 1 6.89481128108569 8178339 C1CNC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3C(=O)N1 1 1.68 2 4 0 -7.32405155485023 8178333 CCOC(=O)C(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)F 1 2.646 3 3 -13.5018362123515 8178286 CN1C=NC2=C(C1=O)OC3=CC=CC=C32 1 1.551 2 2 0 0.409213949044455 8177748 C1=CC=C(C(=C1)/C=C/C(=O)C2=CC(=CC=C2)[N+](=O)[O-])F 1 3.801 1 3 -1.81583834249342 8177315 COC1=C(C=C(C=C1)F)CSC2=NN=NN2C3=CC=C(C=C3)O 1 3.33 4 2 -14.332653503639 8173044 CCOC(=O)NC(=O)C(=CNC1=CC=CC=C1C)C(=O)NC(=O)OCC 1 2.053 3 6 0 -6.24205541216121 8169271 C1=CC=C2C(=C1)C(=O)C=NN2CC3=CC=C(C=C3)F 1 3.391 2 1 2.13794275889749 8166529 C1OC2=C(O1)C=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Cl)C(=O)N 1 1.884 2 5 0 -7.46990392738885 8166504 C1CC2=CC=CC=C2N(C1)C(=O)COC3=C(C=C(C=C3)Cl)C(=O)N 1 2.853 2 3 -7.84447286080893 8163769 C1CCC(CC1)(C#N)NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 1.871 3 2 0 -7.57203671075481 8162282 CN(CC(=O)NC1=CC=C(C=C1)F)CC(=O)N(C)C2(CCCCC2)C#N 1 2.086 4 2 -8.42613316943357 8160713 CN(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3 1 4.56 2 3 -5.13505874571597 8160532 CCOC1=C(C=C(C(=C1)CC(=O)NC2CCCCCC2)Br)OCC 1 4.8 1 3 -11.5104265864296 8160527 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC(=O)NC2CCCCCC2 1 2.082 2 5 0 -14.2548270101857 8160454 CC1=C(C(=CC=C1)NC(=O)CNC(=O)CSC2=NN=C(N2C)C(F)(F)F)C 1 2.5 5 2 0 -16.5227594223133 8160378 COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCNC(=O)C2)OC 1 -0.851 3 5 0 -28.8198614476747 8160246 COC1=CC=C(C=C1)OCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N 1 2.399 3 4 0 -11.064471856707 8160198 CCN(C1=CC=C(C=C1)F)C(=O)CSC2=NC(=NC3=C2C(=C(S3)C)C)C 1 4.177 3 1 -15.335224627328 8160187 CC1=CC=CC=C1NC(=O)C2=CC=CN3C2=NS(=O)(=O)CC3 1 0.767 3 3 0 -12.316196561996 8159868 CC1=CC(=C(C=C1C(C)C)CN2CCC(=CC2)C3=CC=CC=C3)O 1 5.428 1 1 1.21450759941623 8159835 C1CN(CCN1CC2=CC(=O)N3C=C(C=CC3=N2)Cl)S(=O)(=O)C4=CC=CC=C4 1 1.017 4 3 0 -21.8588091535468 8159824 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)N4C=CC=CC4=N3 1 0.632 4 4 0 -23.4760466740208 8159803 C1CN(CCN1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.473 2 2 -8.93070549360685 8159698 C1=CC(=CC(=C1)C(F)(F)F)CC(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 2.161 3 4 0 -14.0422092973254 8159350 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=N3 1 2.078 3 3 -17.3860815559092 8159337 CN(C)S(=O)(=O)C1=CC=CC(=C1)CN(C)CCOC2=CC=C(C=C2)Cl 1 3.317 2 3 -1.50672827480565 8159047 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3CCCCCC3 1 2.14 2 5 0 -23.5990332914227 8158991 CCN(C1=CC=CC=C1)C(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 3.502 3 3 -10.1510233642521 8158990 COC1=CC=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 2.931 3 4 0 -7.66544927860087 8158736 CC1=CSC(=O)N1CC(=O)NC2=CC=C(C=C2)C(C)C 1 2.346 2 2 -8.02251294642245 8158571 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)OC(F)F 1 2.631 3 4 0 -10.1335957812225 8152086 C1CN(CCN1C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4 1 1.711 6 3 0 -4.82625229375019 8152026 CC1=NOC(=C1)C(=O)NC2=CC(=C(C=C2)OC)Cl 1 2.29 2 3 -6.22034380723859 8152025 CC1=CC=CC=C1NC(=O)C2=CC(=NO2)C 1 2.129 2 2 -7.90837062114931 8152024 COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OC 1 2.65 2 5 0 -24.1729268243835 8152006 COCC1=C(OC2=CC=CC=C21)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 1.394 4 3 0 3.37932518454884 8151995 CC1=C(NC(=C1C(=O)C)C)C(=O)N(C)CC2=C(C(=C(C=C2)OC)OC)OC 1 2.534 2 5 0 -6.26969150784643 8151989 CC1=C(NC(=C1C(=O)C)C)C(=O)N(C)CC2=C(C(=CC=C2)OC)OC 1 2.551 2 4 -6.07184130798647 8151973 C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)CNS(=O)(=O)C3=CC=CC=C3F 1 2.203 2 5 0 -11.9798091906808 8151894 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CCCSC2=CC=CC=C2 1 2.678 2 4 -16.17947130393 8151863 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)N4C=CC=CC4=N3)C 1 1.621 4 3 0 -21.8618130946495 8151802 CC1=CC(=C(C=C1)C)OCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 3.248 2 4 -18.0152535340334 8151801 COC1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 3.579 2 4 -20.3894427059609 8151735 C1=CC=C(C(=C1)C(=O)NCCC(=O)NCCC2=CC=C(C=C2)C(F)(F)F)Cl 1 3.857 2 2 -12.0682731336843 8151726 CC(C)(CNC(=O)CC1=C(C=C(C=C1)Cl)Cl)N2CCCCC2 1 4.04 2 1 -8.46538702712454 8151722 CC1=C(C=C(C=C1)NC(=O)C2=CN=C(C=N2)C)S(=O)(=O)N3CCCCCC3 1 2.001 4 3 0 -22.06104147339 8151700 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC=CC=C2C)N 1 3.064 4 3 0 -11.8136361528672 8151663 CC1=CN=C(S1)NC(=O)C2CCC(CC2)C(C)(C)C 1 3.385 2 1 -5.59622056111354 8151642 CCOC(=O)C1=C(NC(=C1C)C(=O)CN2C(=O)C(NC2=O)(C)C)C 1 1.318 3 5 0 -13.4041733727233 8151620 CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=NC3=CC=CC=C3C=C2 1 3.729 3 2 -12.1926189601789 8151613 C1=CC=C2C=C(C=CC2=C1)C(=O)NCC(=O)NCC3=CC=C(C=C3)F 1 2.795 2 2 -9.74492203842554 8151607 CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NNC(=O)C2=CC=CC=C2Cl 1 2.684 2 5 0 -16.2680801414087 8151579 CC1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.31 2 5 0 -22.9098476044981 8151555 CC1=NC=C(N=C1)C(=O)NCCC2=CC=C(C=C2)C(F)(F)F 1 2.295 3 1 -8.70024744479057 8151507 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 1.351 3 3 0 -11.7041880711221 8151455 C1CCCC(CC1)NC(=O)COC(=O)COC2=CC=CC=C2C#N 1 2.773 2 4 -14.3659704096986 8151452 C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 0.744 5 5 0 -16.660825976774 8151439 C1=CC=C(C(=C1)C(=O)NNC(=O)CSC2=CC=C(C=C2)F)Br 1 3.218 2 2 -7.28154928869362 8151426 CC1CCN(CC1)C(=O)COC(=O)/C=C/C2=CC=C(O2)Br 1 2.551 1 4 -11.6619624101922 8151423 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC3=CC=CC=C3F 1 2.514 3 3 -20.212144626232 8151403 C1=CC(=CC=C1C(=O)N)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 1.91 3 3 0 -16.3595454301077 8151371 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 3.298 2 4 -11.99133225727 8151255 CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)OC)OC 1 1.318 2 5 0 -19.1782082521337 8151167 COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=CC=C(C=C3)F)OC 1 3.468 1 3 -11.7323606198239 8150778 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.522 4 3 0 -14.7211773345004 8150667 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC3=C(C=C(C=C3)Cl)Cl 1 3.53 1 4 -13.3695977892087 8150664 C1=CC=C(C=C1)C(=O)NC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.65 1 3 -5.38136529261932 8147518 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 3.85 2 2 -13.6024082627635 8147464 C1CCCC(CC1)NC(=O)COC(=O)C2=C(N=CC=C2)N 1 1.701 3 3 0 -12.9453037551327 8147406 CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC3=CC=CC=C3C=C2)N 1 3.235 4 3 0 -6.73588512270833 8147403 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC3=CC=CC=C3C=C2)N 1 3.487 4 3 0 -8.06728180153187 8147290 CC(=O)NC1=CC(=CC=C1)NC(=O)COC2=CC3=C(CCC3)C=C2 1 2.627 2 3 -9.74859163434942 8147163 CC(=O)NC1=CC(=CC(=C1)C(=O)NCC2(CCCCC2)N3CCOCC3)NC(=O)C 1 0.819 4 4 0 -15.1618916976562 8147124 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(N=C3)Cl)Cl 1 3.346 3 1 -3.52232970757613 8147028 COC1=C(C=C(C=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)OC 1 2.875 2 4 -18.0710413452317 8147025 COC1=CC(=CC(=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)OC 1 2.875 2 4 -16.0274420017869 8147021 COC1=CC(=C(C=C1)OC)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.875 2 4 -15.4022330217129 8146977 CC1=C(C=C(C=C1)C(C)C)OCC(=O)NC2=CC=C(C=C2)N3C=NN=N3 1 3.017 5 2 0 -15.4077663493504 8146907 CC1=C(SC=C1)C(=O)OCC(=O)C2=CC=C(C=C2)OC(F)F 1 4.186 0 4 -10.1682424714682 8146669 C1CCCC(CC1)NC(=O)COC(=O)COC2=CC=C(C=C2)Cl 1 3.559 1 4 -10.0200473308933 8146215 CC1=C(C=CC(=C1)N2CCCCC2)[N+](=O)[O-] 1 3.289 2 2 -2.15568640474741 8145913 CCC1=NOC(=C1C(=O)NC2=CC=C(C=C2)C#N)C 1 2.042 3 2 -15.6738686614815 8145904 C1CCC(CC1)NC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F 1 3.265 2 3 -11.9814554966779 8145808 C1CCC(=NNC(=O)CC(=O)NCCC2=CC=CC=C2)C1 1 1.581 3 2 0 -13.2395565182678 8145470 CC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NNC(=O)C4=CC=C(C=C4)OC 1 4.63 3 2 4.81137073886271 8144904 C1OC2=C(O1)C=C(C=C2)C=NNC3=NC(=O)C4=CC=CC=C4N3 1 2.238 4 3 0 -8.36408702267779 8144119 CC(C)CNC(=O)C(=O)NN=C1CCCCCC1 1 1.746 3 2 0 -13.2428601684495 8143319 CC1=CC=CC=C1C(=O)NCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2 1 2.219 4 3 0 -19.227032049022 8143318 CC1=CC=CC=C1C(=O)NCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2C 1 2.705 4 3 0 -17.0526964299292 8143134 CC1=CC(=CC(=C1)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-])C 1 3.816 4 3 0 2.83854285086562 8143087 CCO/C=C/1\C2=C(C=C(C=C2)OC)C(=O)N(C1=O)C 1 1.08 1 4 0 -3.64418289388324 8143084 CCCCOC1=CC=C(C=C1)CC(=O)NCC(=O)O 1 1.866 1 4 0 -13.1330653906163 8142978 CC1=C(C(=NC=C1[N+](=O)[O-])SC2=CC=CC=C2)[N+](=O)[O-] 1 3.611 3 4 0 1.45198853289465 8142876 C1CN(CCN1CCC2=CC=CC=C2)S(=O)(=O)C3=CC(=CC=C3)Br 1 3.557 2 2 -9.31237273315396 8142752 CCC1=NC2=CC=CC=C2C(=O)N1NCCC3=CC=CC=C3 1 3.114 3 1 -6.40963590170313 8142677 CCC1=CC(=CC(=C1N)CC)[N+](=O)[O-] 1 2.862 2 2 -1.31399611538968 8142548 COC(=O)NC1=C(C=NN1)[N+](=O)[O-] 1 5.6e-002 4 4 0 -5.38922810929988 8142514 CC1=C(C=C(C=C1)NC(=O)/C=C\C(=O)NCC(=O)O)C 1 1.226 2 4 0 -10.8494649719444 8142460 C1CCN(CC1)C2=C(N=NC(=N2)C3=CC=CO3)C4=CC=C(C=C4)Cl 1 4.828 4 1 9.59563496722947 8142438 CN1CCN(CC1)C2=NC(=NN2C)[N+](=O)[O-] 1 0.252 6 2 0 0.686686669751081 8142369 CCOC(=O)CNNC(=O)NC1=CC(=C(C=C1)Cl)Cl 1 1.839 3 3 0 -5.82178453026978 8142126 CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3CCC3)C 1 2.359 3 2 -6.15697885253692 8141705 CCC1=NN=C(S1)NC(=O)CN2C(=O)C3(CCCCC3)N(C2=O)C 1 1.217 5 3 0 -17.3781486341737 8141687 CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)NC3=NC=CS3 1 0.813 4 3 0 -11.0916390351912 8141015 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.126 3 3 -16.8166389448898 8140995 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3 1 1.372 3 5 0 -15.715391253652 8140994 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2 1 2.513 3 3 -10.7151148670152 8140966 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)CC2=C(C=CC=C2Cl)F 1 3.449 2 2 -8.74000916126615 8140870 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4CC4 1 2.337 5 2 0 -14.9424462713259 8140798 CC1=NN=C(N1C2CC2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.128 5 1 -12.8945458240688 8140709 C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)C3=CC(=CC(=C3)F)F 1 2.218 3 3 -6.01587569971983 8140698 C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)C3=CC4=CC=CC=C4O3 1 2.402 3 4 0 -1.82874189546265 8140697 CC(C)OC1=CC=C(C=C1)C(=O)NN2C(=O)C3(CCCCC3)NC2=O 1 2.517 3 4 0 -8.47336695153883 8140693 C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl 1 1.779 4 4 0 -11.5761847755456 8140682 C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)CCC3=CNC4=CC=CC=C43 1 2.591 4 3 0 -10.7203879714888 8140644 C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)C3=CC=C(C=C3)C#N 1 1.685 4 3 0 -9.48494781206671 8129803 COC1=CC=CC=C1N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 3.284 2 3 3.08459102922777 8129040 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3F 1 3.321 2 3 -13.6850702349486 8128871 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCN3C4=CC=CC=C4OC3=O 1 2.75 3 4 0 -7.47663207715599 8128123 CC1=C(SC(=N1)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)NC 1 3.089 3 2 -7.12471819485971 8127946 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4 1 4.941 2 2 -1.67668796563478 8125627 CN(C)C1=CC=CC(=C1)C(=O)NN2C(=O)C3(CCCCC3)NC2=O 1 1.969 4 3 0 -10.5712487947047 8124901 CC1=C(C(=NN1C)C)NS(=O)(=O)C2=CC(=C(C=C2)NC(=O)C)OC 1 0.499 4 4 0 -12.8901937780561 8124895 CC1=C(C(=NN1C)C)NS(=O)(=O)C2=CC=CC(=C2)C(=O)C 1 1.135 3 3 0 -6.92592635539803 8124894 CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N(N=C2C)C)C)C 1 2.368 3 2 -2.02969971964927 8123755 C1=CC(=CC(=C1)F)OCC(=O)NC2=NC(=CS2)C3=CC=NC=C3 1 2.448 3 2 1.64217245745516 8123738 CC1=CC=CC=C1OCC(=O)NC2=NC(=CS2)C3=CC=NC=C3 1 2.729 3 2 -0.516908341116996 8123633 CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=NC(=CS2)C3=CN=CC=C3 1 2.65 3 3 -6.857608150693 8123627 C1=CC(=CC(=C1)F)OCC(=O)NC2=NC(=CS2)C3=CN=CC=C3 1 2.448 3 2 -0.425868517323293 8123625 CC1=CC(=CC(=C1)OCC(=O)NC2=NC(=CS2)C3=CN=CC=C3)C 1 3.215 3 2 -2.81238569801826 8123422 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC 1 2.73 3 3 -22.8525140569684 8122343 CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C 1 4.604 3 2 -25.1510306932452 8122330 CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 4.604 3 2 -24.8334251815865 8122316 CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 4.604 3 2 -25.1212520105412 8122299 CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C 1 4.604 3 2 -25.2918798774352 8122161 C1=CC=C(C=C1)C2=NSC(=N2)NC3=CC=CC=C3 1 3.232 3 0 7.21105453486565 8120211 CC1=C(C(=NN1CC(=O)NC2=CC=CC=N2)C)Br 1 1.681 4 1 0 -8.53548492567595 8120197 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl 1 2.198 4 3 0 -6.93646817897571 8120195 COC1=CC=CC(=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl 1 2.198 4 3 0 -4.55233918548582 8120181 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3OC 1 1.507 3 5 0 -22.1103176441212 8119952 COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=NC3=CC=CC=C3C=C2)OC 1 2.453 3 4 0 -8.72082884573546 8119543 CSC1=C(C=CC=N1)C(=O)NC2CCCCCCC2 1 3.739 2 1 -12.1337809750827 8119510 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NCCC3=CNC4=CC=CC=C43 1 4.477 3 1 -16.2782418921318 8119252 CCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)NC2CC2)OC 1 2.899 2 3 -14.5811723076332 8119025 CCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 4.574 3 2 -25.1425540143842 8118628 CC1=C(C=C(C=C1)CC(=O)NNC(=O)C2=CC=CS2)C 1 2.832 2 2 -8.87797849330496 8116715 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NC3=CC(=C(C=C3)OC)OC)C 1 4.106 3 4 0 -14.8172908158365 8115720 C1CN(CCN1C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC(=CC=C3)Cl 1 1.342 3 3 0 -18.9322649182251 8115719 C1CN(CCN1C(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC(=CC=C3)Cl 1 1.342 3 3 0 -16.5021741806462 8114806 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CSC2=CC=CC=C2 1 3.687 1 3 -11.4084634649668 8114397 C1C(=O)NC2=CC=CC=C2N1C(=O)COC3=C(C=CC=C3Cl)Cl 1 2.791 2 3 -11.3700788125597 8114141 CCCNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.264 2 5 0 -9.84153754137981 8114138 CCCNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)C3CCC(CC3)C 1 3.21 2 3 -8.84956766979953 8114120 CCCNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)C3=CC=CS3 1 2.449 2 3 -8.21345353202292 8113870 COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN=C2)Br 1 2.522 1 4 -10.2552870185381 8113656 C1=CNC(=C1)C(=O)COC(=O)C2=CC(=CN=C2)Br 1 1.924 2 3 0 -7.97432733618985 8113643 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)C3=CC(=CN=C3)Br 1 1.76 4 4 0 -7.59202907639386 8112872 CC1=CC=CC=C1C(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.648 3 4 0 -8.44910157050876 8112670 CCCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC(=C(C=C3)C)C 1 3.171 2 4 -5.76711429251093 8112666 CCCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.166 2 6 0 -11.3915947178375 8112365 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=NC=CC=N2 1 1.221 4 2 0 -13.7048233797555 8112042 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC=CC=N3 1 0.737 6 3 0 -13.9317426070371 8111411 C1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NC=CC=N2 1 1.007 4 2 0 -12.3051415352344 8110490 C=CCN1C(=NN=C1SCC(=O)NC2(CCCCC2)C#N)C3=CC=NC=C3 1 2.592 6 1 0 -16.3450145792465 8110228 COC(=O)CSC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3 1 3.306 2 3 -21.9675673388727 8110226 C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC#N)SC=C3 1 3.33 3 1 -19.1183261267815 8110222 CCSC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3 1 3.948 2 1 -15.0633176884585 8110173 CNC(=O)NC(=O)CSC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3 1 2.439 4 3 0 -22.5967149851157 8110142 COC(=O)CNC(=O)CSC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3 1 2.366 3 4 0 -29.4549143968908 8110132 CNC(=O)CSC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3 1 2.659 3 2 -22.4582887277605 8110122 COCCNC(=O)CSC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3 1 2.528 3 3 -28.2618774007538 8108917 COC1=CC=CC=C1N(CCC#N)C(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F 1 2.651 2 5 0 -17.1728558230636 8108859 COC1=CC=CC(=C1O)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N 1 1.779 2 6 0 -13.4784744794274 8108481 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)COC3=CC=CC=C3F 1 2.13 1 6 0 -12.0418273225664 8108341 C1CCC(CC1)C2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)OCC(=O)O 1 5.358 0 4 -0.61562095182491 8108202 CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N(C)CCC2=CC(=C(C=C2)OC)OC 1 9.3e-002 3 6 0 -13.399082543369 8108141 C1CN(CCN1C(=O)CN2CCSC2=O)S(=O)(=O)C3=CC=C(C=C3)F 1 0.655 3 4 0 -24.9430250456163 8107712 C1CN(CCN1C2=CC=CC=N2)C(=O)CNC(=O)C3=CC=C(O3)Br 1 1.284 4 3 0 -9.57474143422543 8106910 C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.184 3 4 0 -18.0503700605276 8105234 C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)COC3=C(C=C(C=C3)F)Cl 1 3.651 2 3 -11.3913897036462 8100349 CC1=CC=CC=C1OCC(=O)OCC(=O)NC2=NC=C(C(=C2Cl)C)Cl 1 3.846 2 4 -6.90001972482654 8100182 CC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)O)[N+](=O)[O-] 1 3.824 1 5 1.75331690412833e-003 8100181 CC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC)[N+](=O)[O-] 1 3.807 1 6 0 -2.79945896002087 8100179 CC1=C(C=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCCC3 1 3.609 2 4 -17.1369755190423 8100177 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N(C)C 1 2.112 3 5 0 -13.4184599995403 8099700 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 1.051 4 3 0 -17.3283075344269 8099698 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)NCC3=CC=CC=C3OC 1 0.577 3 4 0 -15.9818194668643 8099681 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 0.845 4 3 0 -18.3014877550344 8099658 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)NCC3=CC=CC=C3Cl 1 1.258 3 3 0 -14.8182348571377 8099640 CCOC(=O)C1=CC=CC=C1NS(=O)(=O)C2=C(N=C3N(C2=O)C=CS3)C 1 0.791 3 5 0 -21.15804768961 8099636 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)NC3=CC=CC=C3OC 1 0.57 3 4 0 -16.0607559160348 8099633 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(N=C3N(C2=O)C=CS3)C 1 1.559 3 3 0 -13.564787756506 8099630 CCC1=CC=CC(=C1NS(=O)(=O)C2=C(N=C3N(C2=O)C=CS3)C)C 1 2.015 3 3 -14.6873581339896 8099621 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)NC3=C(C=CC(=C3)Cl)OC 1 1.235 3 4 0 -12.2819812336435 8099619 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(N=C3N(C2=O)C=CS3)C)C 1 1.559 3 3 0 -12.4871046567864 8099616 CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(N=C3N(C2=O)C=CS3)C 1 0.791 3 5 0 -17.360312748008 8099613 CCOC1=C(C=C(C=C1)CNS(=O)(=O)C2=C(N=C3N(C2=O)C=CS3)C)OC 1 0.91 3 5 0 -19.013932028811 8099612 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)NC3=C(C=CC(=C3)OC)OC 1 0.554 3 5 0 -14.5621022712068 8099610 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)NCCC3=CC=C(C=C3)Cl 1 1.579 3 3 0 -12.4471290487482 8099147 CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=NO2)C)C 1 2.941 1 4 -6.02002056951053 8099017 CC1=NOC(=C1)C(=O)OCC(=O)C2=C(C=C(C=C2)OC)OC 1 1.936 1 6 0 -9.06474577770745 8098898 CC1=NOC(=C1)C(=O)OCC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC 1 1.74 3 7 0 -11.9404148100433 8097209 C1CN(CC=C1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O 1 2.421 1 5 -10.919318991219 8097106 C1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC(=CC=C3)Cl 1 3.162 1 4 -15.3144843904739 8097072 C1CN(CC=C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 2.663 1 4 -15.1868615146881 8096945 CC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C)C 1 2.837 3 3 -13.0544327216174 8096682 CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl)N=N1 1 2.964 4 3 0 -15.3612838174122 8096034 CC1=C(C(=NN1C)C)NC(=O)COC2=C(C=C(C=C2)Cl)Br 1 2.94 3 2 -1.96760608002386 8095164 CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NC4=CC(=CC=C4)SC 1 3.181 3 2 -13.7724961925381 8095155 CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NCCC4=CC=C(C=C4)Cl 1 3.631 3 2 -16.3369475206201 8095142 CCC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCN4C3=O)C 1 3.581 3 2 -16.1144141775519 8095099 CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NC4=CC=CC=C4F 1 2.844 3 2 -17.039517394009 8094678 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C 1 3.476 2 4 -15.3821511639253 8094616 CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)O 1 4.388 1 2 -6.81326069683152 8088998 CC1=CC(=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 2.565 3 5 0 -12.999273016781 8088984 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NCCCN3CCOCC3 1 3.376 4 1 -5.37255870596729 8088839 CN(C)C(=O)C1=CC=C(C=C1)NC2=C3C4=C(CCCCC4)SC3=NC=N2 1 4.454 4 1 -10.5069048335313 8088492 CC1=CC=C(C=C1)N/C=C\2/C(=O)C3=CC=CC=C3N(C2=O)C 1 2.65 2 2 -0.963063308582787 8088364 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3CCSC3=O 1 1.75 3 5 0 -14.9827770570784 8088000 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NCC3=CC=CC=C3)C 1 1.107 3 3 0 -12.0597643350448 8087999 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NCC3=C(C=CC(=C3)OC)OC)C 1 1.075 3 5 0 -13.0896960093989 8087998 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NCC3=CC=C(C=C3)F)C 1 1.313 3 3 0 -10.5330724047999 8087997 CC1=CC=C(C=C1)CNS(=O)(=O)C2=C(N=C3N(C2=O)C(=CS3)C)C 1 1.594 3 3 0 -11.433246024599 8087996 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NCCC3=CC=CC=C3)C 1 1.429 3 3 0 -13.533449782714 8087990 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4)C 1 0.748 5 3 0 -17.6013895873387 8087987 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)NCCC3=CC=C(C=C3)Cl)C 1 2.093 3 3 -10.8966361873476 8087977 CC1CCC(CC1)C(=O)NC2=C(C3=CC=CC=C3OC2=O)NC 1 2.337 2 3 -9.64713666514234 8087972 CCNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)C3CCC(CC3)C 1 2.686 2 3 -9.5047574216467 8087933 CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=C(N=C3N(C2=O)C=CS3)C 1 1.737 3 3 0 -11.5856881259056 8087932 CC1=CC=C(C=C1)CCNS(=O)(=O)C2=C(N=C3N(C2=O)C=CS3)C 1 1.401 3 3 0 -14.4574243336688 8087931 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)NCC3=CC=CC=C3 1 0.594 3 3 0 -13.6102571964454 8087632 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)Cl)N4CCCC4 1 2.441 4 3 0 -4.75088400404921 8087590 CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)NC3=CC=CC=C3N4CCCC4 1 3.684 4 2 -10.9975763668828 8087560 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=NNC(=O)CC3 1 0.929 4 2 0 -17.010732533191 8087426 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.976 2 3 0 -12.4600473664959 8087386 COC1=CC=C(C=C1)CNC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.393 1 4 -9.02867775339256 8087252 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4 1 4.357 2 3 0.343487033203259 8087250 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4 1 4.357 2 3 -2.5114414745134 8085719 COC1=C(C=C(C=C1)S(=O)(=O)NC2=NOC3=CC=CC=C32)OC 1 2.477 2 5 0 -8.16845873163125 8085718 CC1=C(C=CC(=C1)S(=O)(=O)NC2=NOC3=CC=CC=C32)F 1 3.202 2 3 -3.55994881692292 8085717 COC1=CC=C(C=C1)S(=O)(=O)NC2=NOC3=CC=CC=C32 1 2.494 2 4 -3.09684895421502 8085716 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NOC3=CC=CC=C32 1 3.911 2 3 -0.105748595959574 8085715 COC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2=NOC3=CC=CC=C32 1 3.158 2 4 -2.59020901145669 8085714 COC1=CC(=CC=C1)S(=O)(=O)NC2=NOC3=CC=CC=C32 1 2.494 2 4 -3.31279223940208 8085615 CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)C 1 1.359 4 3 0 -16.7509948936338 8085236 CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)F 1 3.31 2 1 -3.53906149779264 8085071 CC1=CSC(=O)N1CC(=O)NC2=C(C=C(C=C2)OC)OC 1 1.119 2 4 0 -12.8746509472551 8084964 CC1=CC(=CC(=C1)NC(=O)CCN2C(=O)CSC3=CC=CC=C32)C 1 3.241 2 2 -11.682164717558 8084846 CCOC1=CC=C(C=C1)NC(=O)CCN2C(=O)CSC3=CC=CC=C32 1 2.601 2 3 -12.4725900795801 8084766 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3 1 3.01 4 2 -5.82614726398409 8083965 CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(N=C4N(C3=O)C=CS4)C 1 1.818 4 3 0 -18.9093766576195 8083962 CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC(=O)CN3CCCC3=O 1 1.607 5 3 0 -25.4922098038498 8083801 CC1=CC(=C(C(=C1)Cl)NC(=O)CSCC2=C(ON=C2C)C)C 1 3.534 2 2 -13.7478181983432 8083800 C1COC2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3Br)OC1 1 3.046 1 4 -8.09021507883656 8083797 C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.076 3 3 -3.26483311368883 8083795 C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 1.871 3 3 0 -4.23801333429632 8083685 C1CC2=C(C1)C=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.971 2 2 -3.50815545559183 8083581 CCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC(=C(C=C3)F)Cl 1 2.545 2 4 -5.86895220028733 8083583 CNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC(=C(C=C3)F)Cl 1 2.196 2 4 -6.01133144378298 8083595 CCC1=CC(=CC=C1)NS(=O)(=O)C2=C(N=C3N(C2=O)C(=CS3)C)C 1 2.043 3 3 -9.6510552038676 8083617 CCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC(=C(C=C3)OC)Cl 1 2.323 2 5 0 -8.60222994915393 8083616 CNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC(=C(C=C3)OC)Cl 1 1.974 2 5 0 -8.74460919264957 8083560 CCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(S3)Cl 1 1.921 2 4 0 -1.96189486485929 8083559 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=CC=CC=C3OC2=O)NC 1 2.727 2 4 -4.12645357750867 8083552 CCNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)OC 1 1.659 2 5 0 -6.97517469226847 8083550 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)NC3=CC=C(C=C3)N4CCN(CC4)C 1 0.706 5 3 0 -8.55056523043321 8083546 CNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(S3)Cl 1 1.572 2 4 0 -2.10427410835493 8083544 CNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=C(C=CC(=C3)Cl)OC 1 1.974 2 5 0 -6.61091399300579 8083542 CNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 1.294 2 6 0 -8.37609764773906 8083541 CNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)C4CCCCC4 1 3.518 2 4 -4.08513428688504 8083535 CC1=C(C(=O)N2C=CSC2=N1)S(=O)(=O)NC3=CC(=CC=C3)OC 1 0.57 3 4 0 -12.107154062269 8083532 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(N=C3N(C2=O)C=CS3)C 1 0.919 3 4 0 -13.2098689586968 8083531 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(N=C3N(C2=O)C=CS3)C)C 1 1.559 3 3 0 -14.0558174013483 8083530 COC1=CC=C(C=C1)S(=O)(=O)NC2=C(OC3=CC=CC=C3C2=O)O 1 2.003 1 6 0 -1.89651132664719 8083527 CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(OC3=CC=CC=C3C2=O)O)C 1 2.991 1 5 -1.34364067873682 8083521 CNC1=C(C(=O)OC2=CC=CC=C21)NS(=O)(=O)C3=CC4=C(CCCC4)C=C3 1 2.84 2 4 -10.5132955903259 8083512 CCC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C 1 2.534 3 3 -8.33077250498433 8083388 C1CCC(CC1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3 1 4.403 2 1 -7.9699423508336 8083294 CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)[C@H](C)NC(=O)C2=CC=CC=C2)Cl 1 3.069 3 4 0 -13.5455525514004 8083271 CC1=CC=C(C=C1)CNC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2 1 3.529 2 2 -18.4083754457737 8083268 CCOC(=O)C1=CC=CC=C1NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C 1 2.591 2 5 0 -17.2170257420221 8083216 CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=C(C=CS2)C(=O)N 1 2.276 3 3 -20.1274151624317 8083185 C[C@@H](C(=O)NCC1=CC=CS1)NC(=O)C2=CC=CO2 1 1.3 2 3 0 -14.9068386004777 8083183 C[C@@H](C(=O)N1CCCC1)NC(=O)C2=CC=CO2 1 0.644 2 3 0 -11.2049525772931 8083144 C1=CC=C(C=C1)C[C@@H](C(=O)NCCC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CO4 1 3.731 3 3 -16.7597589253784 8083126 CC1=CC(=C(C=C1)C)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC=C3F 1 3.357 2 3 -13.0670508140761 8083125 CN(CC1=C(C=C(C=C1)OC)OC)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 3.289 2 5 0 -7.50695074961718 8083109 CC(C)[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCCCC2)NC(=O)N 1 1.25 5 4 0 -23.2674291893753 8083097 CCOC1=CC=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2Br 1 4.082 2 3 -17.6462994892879 8078175 CN(CC(=O)NC1=CC(=CC=C1)OC)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.012 3 5 0 -18.4155471207183 8076096 CC1=CC(=C(C=C1)NC(=O)C2=C(N=C(S2)C)C)C 1 2.877 2 1 -9.22212106072747 8076095 CC1=CC(=C(C=C1)C)C2=NN(C(=O)C=C2)CC3=C(C=CC=C3Cl)F 1 5.079 2 1 -0.734204072149037 8075593 CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.27 3 3 -11.1749389206914 8075581 CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.065 3 3 -12.1481191412988 8075477 CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C 1 2.956 2 3 -15.6839752118247 8075467 CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)Br 1 2.554 2 3 -15.2399222822475 8073958 CC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O 1 0.935 3 4 0 -32.4047991267307 8073895 CC1=NN=C(S1)NC(=O)CCN2C3=C(C=CC(=C3)Cl)OC2=O 1 1.829 4 3 0 -10.4897279958296 8073890 C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C4=C(C=CC(=C4)Cl)OC3=O 1 3.265 3 3 -2.12239185954188 8073883 CC1=C(C=CC=C1Cl)NC(=O)CCNC(=O)N2CC(=O)NC3=CC=CC=C32 1 1.993 4 3 0 -18.735736267486 8073870 CC1=CSC(=N1)NC(=O)CCN2C3=C(C=CC(=C3)Cl)OC2=O 1 2.374 3 3 -4.71625866486082 8073855 CC1=C(N(C2=C1C(=NC=N2)NCCO)CCC3=CC=CC=C3)C 1 2.622 4 1 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COC1=CC=CC(=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CN=CC=C4 1 3.387 4 1 -4.76745098922465 6625050 CCC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4CCCO4 1 3.077 2 3 -14.7195801708993 6625049 C1CN(C(=O)N1CC2=CC=CC=C2)CC(=O)NCCCN3CCOCC3 1 0.132 4 3 0 -17.6258409610488 6625048 CC1=CC(=CC=C1)N(C)CC2=NN=C(O2)C3=CC(=CC=C3)Br 1 4.302 3 1 1.13643446424667 6625042 C1=CC=C(C=C1)CCNC(=O)C2=NN=C(O2)CS(=O)(=O)C3=CC=CC=C3 1 2.026 3 4 0 -14.8613040497043 6625021 CC1=C(N=C(O1)C2=CC=CC=C2Cl)CS(=O)(=O)CC(=O)NCCN3CCOCC3 1 1.096 3 5 0 -0.457476856791509 6625011 C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(=O)O 1 0.457 1 4 0 -4.70392106442508 6625003 C1CN(CCC12OCCO2)C(=O)C3=CC4=C(C=C3)SCCN4CC5=CC=CC=C5 1 3.414 2 3 -11.4405734169023 6625000 CCN1CCN(CC1)C2=C(C=NC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OC 1 3.872 3 2 1.8757283094251 6624981 CC(C)CCN1C(C2=CC=CC=C2C1=O)C(=O)NCC3=CN=CC=C3 1 2.206 3 2 -16.005972771894 6624952 CC(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C=CC=N3 1 3.738 3 2 2.40327180733061 6624931 CC1=CC=CC=C1COC(=O)CCCC2=NS(=O)(=O)C3=CC=CC=C3N2 1 3.129 2 4 -14.499150934736 6624922 C1=CC=C2C(=C1)NC(=NS2(=O)=O)CCCC(=O)OCC3=CC=C(C=C3)Cl 1 3.307 2 4 -11.5086237672021 6624915 COC1=CC=C(C=C1)N(C(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.772 2 6 0 -13.0640579343236 6624904 COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NCC3=C(C=CC(=C3)Br)O 1 2.976 4 4 0 -4.58849242874799 6624813 CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)N4CCCCC4 1 1.895 5 2 0 -17.2655506410481 6624801 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C3=CC=CC=C3 1 5.335 1 3 -4.80950318324409 6624784 CN(C1CCCCC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl 1 2.259 2 4 -2.45716796380862 6624756 CN(CC1=CC=CC=C1)C(=O)CCCN2C3=C(C=CC=N3)N4C=CC=C4C2=O 1 2.965 4 2 -13.5454230475322 6624747 CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)NC4=CC=CC=C4 1 2.349 5 2 0 -16.2260462705549 6624692 CN(CC1=CC=CC=C1)C(=O)CN2C3=C(C=CC=N3)N4C=CC=C4C2=O 1 2.395 4 2 -11.546337684702 6624675 CC1=NN=C2N(C1=O)N=C(S2)SCC3=CC=CC=C3 1 3.382 4 1 -7.93836780434121 6624662 CCNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)C3=CC=CS3 1 1.926 2 3 0 -8.8686432838701 6624620 CCC(C)N1C(CCC1=O)C(=O)O 1 0.701 1 3 0 -9.64939736905213 6624570 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3 1 0.853 2 3 0 -18.8751849239353 6624569 CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)NCCCN3CCOCC3)C 1 0.549 5 4 0 -28.864186870658 6624540 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCC(=O)C3=CC=CC=C3 1 3.268 2 3 -6.05307305480253 6624535 C1CCCC(CCC1)NC(=O)CC2CC3CCC2C3 1 4.192 1 1 -4.23555773049202 6624522 CC1=C(C(=NN1)C)S(=O)(=O)N2CCC3=CC=CC=C3C2 1 1.477 3 2 0 -12.8329618784012 6624516 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCC(=O)C3=CC=CC=C3 1 3.034 2 2 -3.47106486408665 6624514 COC1=NC(=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)OC 1 4.627 2 3 -11.9684023386078 6624513 C1=CC=C(C(=C1)CNC(=O)CCCC2=CNC3=CC=CC=C32)C(F)(F)F 1 4.804 2 1 -14.0430506523759 6624492 C1=CC=C(C=C1)C(=O)CCCC(=O)NC2=CC=C(C=C2)O 1 2.784 1 3 -6.83405175407223 6624488 C1CCCC(CC1)NC(=O)CN2CCCN(C2=O)CC3=C(C=C(C=C3)F)Cl 1 3.49 3 2 -10.8529289551985 6624467 COC1=CC=C(C=C1)C(=O)CCC(=O)NC2=NCCS2 1 2.041 2 3 -12.8139909770957 6624464 CC1=CC=C(C=C1)C(=O)CCC(=O)NC2=NCCS2 1 2.544 2 2 -12.4010247679516 6624461 C1CC1NC(=O)C2=CC=C(O2)CS(=O)C3=CC=CC=C3 1 2.014 1 3 -3.8164543837092 6624453 C1CCC(C1)NC(=O)CCN2C(=O)CCC(=N2)C3=CC=CC=C3 1 1.965 3 2 0 -13.5644540131091 6624448 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C)NC(=O)C 1 1.91 3 4 0 -14.179903792789 6624440 C1CC(CCC1CNS(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CS3 1 3.016 2 3 -19.4619935761579 6624432 CC1CC(CN(C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=C(C=CC(=C3)OC)OC)C 1 1.883 3 5 0 -18.8228513345147 6624426 CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)F 1 0.774 4 5 0 -18.6185042589749 6624419 CC1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)N(C=N3)C4CCCC4 1 3.531 4 1 -14.6077069571447 6624417 CCOC1=CC=C(C=C1)NC(=O)N(CCCN2CCOCC2)CC3=CN=CC=C3 1 1.806 4 3 0 -7.58830741876517 6624412 CC1CCN(CC1)CCCNC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 2.007 3 2 -19.0274311881642 6624408 C1COCCN1CCCN(CC2=CN=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 2.802 4 2 -4.78902936469958 6624406 C1CC(=O)N(N=C1C2=CC=CC=C2)CC3=C(C=CC=C3Cl)F 1 3.708 2 1 -7.04049335959014 6624405 CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC(OC)OC 1 2.554 4 3 0 -19.079243520476 6624404 C1CCC(=CC1)CCNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3 1 4.02 2 3 -20.2610530868886 6624399 CC1=CC=C(O1)CN(CC2=CC=CC=C2)C(=S)NCC(=O)N3CCC4(CC3)OCCO4 1 3.018 3 4 0 -17.1848718089881 6624396 CC1CCC(CC1)NC(=O)CCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.407 2 5 0 -21.6033807834691 6624394 CCC1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC=CC=C3F 1 5.606 3 1 -6.66940830146874 6624390 CCOC(=O)CN1C(=O)CCC(=N1)C2=CC=C(C=C2)Cl 1 1.975 2 3 0 -7.15854297248549 6624389 C1=CC=C(C(=C1)CN/C=C\2/C3=CC=CC=C3N=C2C(=O)O)Cl 1 3.024 2 2 -8.39446840426598 6624380 COC1=CC(=CC(=C1OC)OC)CN(C2CCCC2)C(=S)NCC(=O)N3CCCC3 1 3.856 3 4 0 -15.0343958022435 6624379 CC1CCCC(C1C)NC(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=CC=CS3 1 5.589 3 1 -17.7618229806346 6624372 C1CCC(=CC1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 4.776 3 1 -10.8955611622638 6624370 CCC1=NC2=C(C=CC(=C2)C(=O)O)SC3=C1C=C(C=C3)Cl 1 4.656 1 2 -2.24409312092963 6624362 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C 1 2.901 2 5 0 -11.0964475198437 6624360 CN1CCN(CC1)C(=O)CCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 0.46 3 5 0 -14.3062814070104 6624355 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)OC)CC=C 1 1.813 2 5 0 -19.7829987820914 6624350 COC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCCCC3)CC=C 1 2.489 2 5 0 -21.5431101381839 6624348 CC1=CC=C(C=C1)CNC(=O)C2CCC(CC2)CNC3=NC(=S)NC4=CC=CC=C43 1 5.218 4 1 -15.5945489492407 6624345 CC1=C2C(=NC3=C(C=CC(=C3)C(=O)O)SC2=C(C=C1)C)C 1 4.297 1 2 -4.24398161671084 6624343 C1CN(CCN1CCNC(=O)C2=CN3C(=NC4=C(C3=O)C=C(C=C4)Cl)C=C2)C5=CC=CC=C5 1 2.938 5 2 0 -7.83671089871264 6624341 CC1=C(N=C(O1)C2=CC=CC=C2Cl)CSCC(=O)O 1 2.707 1 3 4.1228430547345 6624340 CC1=NC2=C(C=CC(=C2)C(=O)O)SC3=C1C=C(C=C3)Br 1 4.073 1 2 -0.9018101874254 6624305 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl 1 2.867 4 3 0 0.505775354761109 6624271 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N(C)CC(=O)N(C)CC3=CC=CC=C3 1 1.574 3 4 0 -20.5633310174412 6624264 CN(C1=CC=CC=C1)C(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 1.651 3 5 0 -17.8954256892177 6624259 CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)N4CCCC4 1 4.111 4 3 0 -25.4390956572538 6624249 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)SCC(=O)N4CCOCC4 1 0.778 3 4 0 -15.9790472402891 6624246 CCN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC3=C(C=C2)N(C(C3)C)C(=O)C4CC4 1 3.392 2 4 -19.6269530767073 6624237 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NCC3=CC=C(C=C3)F 1 2.667 3 4 0 -19.656155584946 6624223 COC1=CC=CC=C1CCNC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.583 3 3 -15.0207648947884 6624211 COC1=CC=CC(=C1)C2=NOC(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.196 3 5 0 1.21543173944095 6624186 C1=CC=C(C=C1)CSC2=NN=C(C=C2)C3=CC=CO3 1 4.218 2 1 -1.92753915512307 6624182 CC1=CC=C(C=C1)S(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.493 2 5 0 -1.60382309262626 6624181 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2C)NC(=O)CO3)C 1 1.779 2 4 0 -12.5837448905501 6624152 C1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=NC=C3 1 2.272 4 1 -8.7051729389654 6624149 C1=CC=C(C=C1)CSC2=NN=C(C=C2)C3=CC=CS3 1 4.776 2 0 -4.63432316445844 6624119 C1CCN(C1)C2=NN3C(=NN=C3CCNC(=O)C4=CC=CC=C4)C=C2 1 1.628 6 1 0 -13.066083487077 6624109 CSC1=NN=C(C=C1)C2=CC=CO2 1 2.635 2 1 1.21800442595604 6624098 COC1=CC=CC(=C1)C2=NOC(=C2)C(=O)NCC3CCCO3 1 2.072 2 4 -4.86868533482927 6624089 C1=CC=C2C(=C1)N3C=CC=C3C(=O)N2CC(=O)NCCC4=CC=C(C=C4)Cl 1 3.787 3 2 -9.03931842935522 6624069 C1CCN(C1)C(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 2.361 3 2 -7.85011453941445 6624044 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC3=CC=CC=C32 1 0.43 3 4 0 -21.7539097660525 6624032 C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC=CS3 1 4.157 3 1 -13.7665615896677 6624012 C1CCN(CC1)CCCNC(=O)CN2C3=CC=CC=C3N4C=CC=C4C2=O 1 2.336 4 2 -11.6475441625977 6624002 CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC(=O)N)CCC4=CC=CC=C4 1 1.072 6 3 0 -12.978027422572 6623975 CCCNC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCC3=CC=CC=C32 1 2.269 3 3 -18.1252898248508 6623955 CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 4.213 3 2 -7.1034964713233 6623953 C1=CC=C(C=C1)CSC2=NN3C(=NN=C3C4=CC=CC=N4)C=C2 1 3.72 5 0 -5.88272985113629 6623951 CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CC=C3 1 3.601 1 3 -4.16302750994803 6623945 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC(=NO3)C4=CC=C(C=C4)F 1 2.418 3 4 0 0.297812786387777 6623939 CCN(C1=CC=CC=C1)C(=O)C2=CC(=CN2C)S(=O)(=O)N3CCC4=CC=CC=C43 1 3.528 3 3 -16.8927447493029 6623915 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N(C)CC2=CC=CC=C2 1 2.325 2 4 -6.51923016501392 6623903 C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=O)COCC(=O)O 1 1.671 1 5 0 -8.9470963742099 6623876 CCN(CC)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C3=NC=CC=N3 1 0.759 5 4 0 -18.4248160631451 6623875 CCOC1=CC=C(C=C1)NC(=O)NN2C(CCCC2C)C 1 2.664 3 2 -4.82471528699013 6623874 C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NCCC3=CN4C=CC=CC4=N3 1 3.041 3 2 -12.8491495219609 6623870 C1=CC2=NC(=CN2C=C1)CNC(=O)C3=CC=CO3 1 0.972 3 2 0 -11.4477929685996 6623860 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CN(C(=C3)C(=O)OC)C 1 2.422 2 4 -8.90463080957114 6623844 CC1CCCC(N1NC(=O)NC2=C(C=CC=C2C)C)C 1 3.304 3 1 -5.40441676406304 6623841 C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3S2)C(=O)C4=CC=CO4 1 1.123 3 4 0 -6.40378374002281 6623827 CCC(C(=O)NC1CCCC1)N2C3=CC=CC=C3C4=NC(=O)C=C(N42)C 1 3.081 4 2 -13.2504708429708 6623820 COC1=CC=CC=C1NC2CCCCC2NS(=O)(=O)C3=CC=CC=C3 1 3.612 2 3 -9.7683550343587 6623814 CC1=C(C(=CC=C1)C)NC(=O)NC2CCC3=CC=CC=C23 1 4.061 2 1 -6.78192585741518 6623801 CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCCC2 1 1.203 2 4 0 -13.7912911482182 6623783 CC1=CC2=NC(=CN2C=C1)CNC(=O)CCC3=CC=C(C=C3)OC 1 2.537 3 2 -16.1801377462451 6623771 CN1C=C(C=C1C(=O)OC)S(=O)(=O)N(C)C2CCCCC2 1 2.251 2 4 -4.56080920430303 6623763 COC(=O)C1CN(C2=CC=CC=C2O1)C(=O)COC3=CC=CC=C3 1 2.3 1 5 -5.67365518275489 6623759 CC1CCCN(C1)C2=NN3C(=NC4=CC=CC=C4C3=O)C=C2 1 2.355 4 1 -8.07737784283198 6623748 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 2.036 3 2 -6.1298738939812 6623731 CC1=CC2=C(C=C1C)N(C(=N2)C)CCCNC(=O)NC3=CC=CC4=CC=CC=C43 1 4.52 4 1 -11.7063631996197 6623726 CCN1CCN(CC1)C(=O)CN2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43 1 1.764 4 2 0 -5.83165911435199 6623720 CC1CN(C2=C(O1)C=CC(=C2)C)C(=O)CCC(=O)N3CCC4(CC3)OCCO4 1 1.516 2 5 0 -12.4259478698664 6623682 C1=CC(=CC=C1CN2C3=C(C(=NC=N3)SCC(=O)N)N=N2)F 1 1.784 6 1 0 -13.9194016140307 6623680 CN(C1=CC=CC=C1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4S(=O)(=O)C3 1 3.863 1 3 -2.87736976063364 6623658 CC(C)CN(CC(C)C)C(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)OC1=O 1 2.773 3 5 0 -23.3349807997159 6623637 CCN(C1=CC=CC=C1)C(=O)CN2C(=O)C3=CC4=C(N3C(=N2)C)C=CC(=C4)C 1 3.552 4 2 -6.69772013447176 6623635 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(C)C(=O)N(C)CC4=CC=CC=C4 1 3.27 4 3 0 -7.11974059408288 6623629 CC1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SN=N3 1 3.321 3 1 -12.5496389661461 6623623 CCCNC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)OC1=O 1 1.056 3 5 0 -23.9036455849909 6623618 CN(C)CCNC(=O)C1=CC2=C(S1)C3=C(C=C(C=C3)Cl)SC2 1 3.899 2 1 -4.15851244489507 6623602 CC1=CC2=C(C=C1)N3C(=NN(C(=O)C3=C2)CC(=O)N4CCCC4)C 1 2.087 4 2 -6.57187422128156 6623595 CC(C)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SN=N3 1 3.982 3 1 -7.6528042954391 6623590 C1CCN(C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O 1 0.85 3 5 0 -19.2778333882471 6623587 CCOC1=C(C=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)OC 1 -0.474 1 8 0 -23.3438282689499 6623584 CCC1=CC=C(C=C1)NC(=O)CCN2C=CC=C2 1 2.956 2 1 -6.67557156935107 6623577 C1CCN(C1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4S(=O)(=O)C3 1 2.747 1 3 -6.0175092922965 6623528 CCC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)SN=N3 1 3.73 3 1 -9.96625587083715 6623520 CCC1CCCN1CN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)C 1 3.51 4 1 -2.62835149196667 6623506 CN1C(=CC2=C1C3=CC=CC=C3O2)C(=O)NCC4=CC=CC=C4 1 4.007 2 2 -4.24886889949863 6623498 C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3 1 2.492 4 1 1.81781969788005 6623493 CC1=NC(=CS1)CNS(=O)(=O)C2=CC=CS2 1 1.042 2 2 0 -7.86135105656225 6623491 COC1=CC=C(C=C1)C(CC(=O)NC2=CC(=CC(=C2)OC)OC)N3C=CC=C3 1 3.577 2 4 -9.17186353619588 6623472 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CCCC(=O)N(C)CC4=CC=CC=C4 1 3.355 4 3 0 -15.0530369987082 6623465 CNC(=O)NC1=CC2=C(C=C1)SN=N2 1 1.119 4 1 0 -7.86512129446518 6623460 C1C=CCC(C1C(=O)NCCC2=CSC(=N2)C3=CC=CC=C3)C(=O)O 1 2.667 2 3 -6.57961724041294 6623441 CCC1=NN(C(=O)C2=CC3=C(N21)C=CC(=C3)C)CC(=O)N(C)C4CCCCC4 1 4.151 4 2 -7.05242653869075 6623425 CCOC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 3.648 3 3 -15.4229315217387 6623422 CCN1CCN(CC1)C2=C(N=C(S2)S(=O)(=O)C)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.252 3 4 0 -7.27722902412323 6623418 COC1=C(C=C(C=C1)Cl)C(=O)NC2=CC3=C(C=C2)N=C4CCCCN4C3=O 1 3.179 3 3 -11.164373678861 6623411 CC1CC(CN(C1)CCCNC(=O)CN2C(=O)C3=CC4=C(N3C=N2)C=C(S4)C)C 1 2.711 5 2 0 -15.326774297081 6623374 CCC1=NNC(=O)C2=CC3=C(N21)C=C(O3)C 1 1.876 3 2 0 -7.13207556344199 6623378 CC1CCCC(C1C)NC(=O)NC2=CC=CS2 1 3.162 2 1 -8.67535953778306 6623409 CC1CCN(CC1)C2=NN=C(S2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br 1 3.782 5 2 0 -7.31895277413898 6623406 C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)CSC3=NC4=C(N3)C=NC=C4)Cl 1 4.317 4 1 -10.5833085504376 6623394 CC(C(=O)O)N1C2=CC=CC=C2C3=C1C(=O)N(N=C3)C 1 1.815 3 3 0 -6.11476475819982 6623393 CC(C(=O)NCC1=CC=CC=C1OC)N2C=CC=C2C(=O)C3=CC=CC=C3 1 3.936 2 3 -11.3312883553552 6623381 CC1=CC(=C(C=C1)C)NC(=O)CN2C(=O)CCC(=N2)C3=CC=C(C=C3)OC 1 2.847 3 3 -11.285375271209 6623380 CC1=CC(=CC(=C1)NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C 1 5.214 4 1 -8.51452836318794 6623340 CC1=NN(C(=O)C2=CC3=C(N12)C=CO3)CC(=O)NCC4=CC=C(C=C4)OC(C)C 1 2.623 4 4 0 -13.7883945017974 6623337 CN1C2=C(C=C1C(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4)SC=C2 1 3.251 3 2 -9.02626301130408 6623335 CN(C1=CC=CC=C1)C(=O)CN2C3=C(C=C2C(=O)OC)SC=C3 1 3.271 2 3 -7.39471768592153 6623334 COC1=C(C=C(C=C1)CNC(=O)CC2=CC=CS2)OC 1 2.577 1 3 -16.1232128028019 6623332 CN(CC(OC)OC)C(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2 1 2.254 2 4 -12.0930077365929 6623326 CC(C(=O)NCC1=CC=C(C=C1)Cl)N2C=CC=C2C(=O)C3=CC=CC=C3 1 4.617 2 2 -6.81365262754592 6623319 CCS(=O)(=O)C1=NC(=C(S1)NCCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.767 3 5 0 -15.4976616435729 6623318 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C)N3CCCC3 1 3.228 2 4 -10.1175086931048 6623299 CN1C(=O)CSC2=C1C=C(C=C2)NC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.335 4 2 -6.80415910372928 6623298 C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3 1 3.229 3 2 -11.6144807128459 6623293 C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N 1 1.803 4 2 0 -3.3957358741966 6623292 CCC(C(=O)O)N1C2=CC=CC=C2C3=C1C(=O)NN=C3 1 2.133 3 3 -11.3118699204239 6623291 CC1=CC=CC=C1C(=O)C2=CC=CN2CC(=O)NC(C)C3=CC4=C(C=C3)OCCO4 1 4.118 2 4 -16.4003154663271 6623284 CCS(=O)(=O)C1=NC(=C(S1)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.755 2 4 -11.7955381116244 6623272 CCCNC(=O)C1=C(C2=C(O1)C=CC3=C2C(=O)CC(O3)(C)C)C 1 3.232 1 4 -7.68663801714113 6623254 C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCCCC4 1 3.241 4 1 -5.37976771801748 6623247 CCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 3.93 3 2 -12.3224398116494 6623244 CN(CC(=O)NC1=CC(=CC=C1)SC)S(=O)(=O)C2=CN=CN2 1 0.136 4 3 0 -3.87844841920413 6623240 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=C(C=C3)Cl 1 2.91 4 1 -0.730225553134654 6623232 CCC1=CC=C(C=C1)NC(=O)C2=C(C=CS2)N3C=CC=C3 1 4.386 2 1 -6.51236565683216 6623231 CCC1=NN=C(S1)NC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.906 4 3 0 -22.7040477139757 6623229 CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=C(N3)C=NC=C4)C 1 3.831 4 1 -13.0131338848654 6623199 CC1=CC(=C(C=C1)C)NC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.477 2 3 -16.102698839967 6623196 COC(=O)C1=CC2=C(N1CC(=O)N3CCCC4=CC=CC=C43)C5=CC=CC=C5O2 1 4.444 2 4 -9.60224256360709 6623180 COC1=CC(=C(C=C1)OC)CCNC(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3 1 3.756 2 4 -16.286720514924 6623178 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(C)CC(=O)NC3=CC=C(C=C3)NC(=O)C 1 1.048 4 4 0 -14.3796004023099 6623173 CCNC1=C(N=C(S1)S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.941 2 4 -10.7153369765807 6623131 C1=CC=C(C=C1)CN2C(=O)C3=C(N=CC=C3)N(C2=O)CC(=O)N 1 0.802 4 3 0 -7.1620276937162 6623124 CC1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)NC4=CC=CC=C4N3O 1 2.358 5 4 0 -8.42178751951879 6623118 COC1=CC(=CC(=C1OC)OC)C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)NCC4CCCO4 1 2.613 2 6 0 -18.7723119710219 6623117 CCC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C3=C(N2)CCCC3 1 3.601 3 2 -18.7106236065267 6623116 COC1=CC(=CC(=C1OC)OC)CCNC2=NN3C(=NN=C3C4=CC=CC=C4)C=C2 1 3.509 5 3 0 -5.66471814173083 6623094 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4 1 4.234 3 2 -0.125126158313283 6623082 CN(C1=CC=CC=C1)C(=O)CSC2=NC(=O)C3=C(N2)CCC3 1 2.408 3 2 -19.4018031434255 6623074 COC1=CC=CC=C1CNC(=O)CN2C=CC=C2 1 1.756 2 2 0 -13.3044939452485 6623071 C1CCC(C1)NC(=O)C(CC2=CC=CC=C2)N3C=CC=C3 1 3.631 2 1 -7.56610523685333 6623051 CC1=CC=C(C=C1)S(=O)(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)NCC5CCCO5 1 2.985 5 3 0 -15.5464899855407 6623050 CCN1C(=C(C=N1)C2=NOC(C2)C(=O)NCC(C)C)C 1 1.141 4 2 0 -11.6333488683747 6623038 CN(C1CCCCC1)C(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.943 3 3 -19.4738181776328 6623034 COC1=CC=CC(=C1)CNC(=O)C(CC2=CC=CC=C2)N3C=CC=C3 1 3.796 2 2 -7.62232282867209 6623028 CC(CNC1=NC2=CC=CC=C2N3C1=NN=C3)C4=CC=CC=C4 1 3.339 5 0 -0.424532486239641 6623016 C1=CC=C(C(=C1)C2=NOC(=C2)N3C(=O)NC4=CC=CC=C4N3O)Cl 1 3.186 4 3 0 -8.19352783255676e-002 6623006 COC(CNC(=O)CN1C(=O)C2=C(C=CS2)C=N1)OC 1 1.e-002 3 4 0 -16.8467536566015 6623002 C1CC(CCC1CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)N4CCC5=CC=CC=C54 1 3.736 3 3 -22.543096970833 6622999 CC(C1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)N3C=CC=C3 1 4.19 2 1 -7.56004618686843 6622981 CCN(CC)C(=O)C1=C(C(=C(S1)N2C(=O)NC3=CC=CC=C3N2O)C(=O)OC)C 1 2.527 4 5 0 -16.6526588482312 6622977 CCN1C2=C(C=C1C(=O)NC3CCC(CC3)C)SC=C2 1 4.241 2 1 -8.54212566297152 6622974 CC1=CC=CC=C1C2=NC(=C(O2)C)CSC3=NC(=O)C4=C(N3)CCC4 1 3.819 3 2 -2.4567218790038 6622972 CC1=C2C(=NC3=C(C=CC(=C3)C(=O)NCCCN4CCOCC4)SC2=C(C=C1)C)C 1 3.764 3 2 -12.1653145733716 6622955 CC1=CC2=C(C=C1)NC(=O)C3=C2SC(=C3)C(=O)N(C)C4CCCCC4 1 4.306 2 2 -7.56422218953126 6622949 CC1C2=CC(=C(C=C2CCN1C(=O)C3=CC4=C(S3)C5=C(C=CC=C5OC4)C)OC)OC 1 5.233 1 4 -13.8870741807934 6622941 C1CN(CC=C1C(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.627 2 3 -19.3437380547016 6622940 CN1C(=O)CC(SC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 3.228 1 2 -1.61166990797071 6622924 CCN(CC)CCCNC1=NC2=CC(=C(C=C2C3=NC(=NN31)C4=CC=CC=C4)OC)OC 1 3.677 6 2 0 -3.98251759082001 6622896 CC1CCCCC1NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.37 3 3 -18.2725904499416 6622892 CC1=CC=C(C=C1)NC(=O)CN2C=CC=C2 1 2.252 2 1 -4.29094924451911 6622858 CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=C(C=C4)C 1 4.142 3 1 -7.19635772691952 6622851 C1=CC2=C(C=NN2C=C1)C(=O)NCC3=CC=C(C=C3)Cl 1 2.514 3 1 -6.80550893045984 6622846 CCCC1CCC(CC1)C(=O)N2C3=C(C=C4C=CC(=CC4=N3)OC)C(=N2)N 1 4.915 4 2 -7.66525578482501 6622837 CC1=NOC(=C1Cl)C(=O)N(C)C2=CC=CC=C2 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5.091 2 4 -8.90647396393035 6622695 CCC(C)NC(=O)C1=CC2=C(C=C1)C(=C3CCCC3=N2)Cl 1 4.202 2 1 -9.72239959521714 6622694 CCOC(=O)C1=C(N(N=C1)CCOC(=O)C2=CC=CC=C2F)NC(=O)C3=CC=CC=C3F 1 3.508 3 5 0 -14.0317205608398 6622688 C1C2=CC=CC=C2OC3=C1C(=NC(=N3)C4=CC=CC=C4)SCC(=O)NC5=CC=CC=C5 1 5.632 3 2 -5.32507614720597 6622683 CCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(O2)C4=CC=CC=C4N=C3C 1 4.627 2 2 -6.07473487893355 6622678 CC1CCCN(C1)C(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C 1 0.637 4 5 0 -22.9232710299683 6622665 C1CC1NC(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=CC=C4 1 3.633 2 1 -11.1388243502156 6622664 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)N(C)CC4=CC=CC=C4)N(C(=O)C1=O)C 1 1.025 4 5 0 -14.7158593761698 6622661 CC1CC(CN(C1)CCCNC(=O)C2=CC3=C(C=C2)C(=C4CCCC4=N3)SCC(=O)O)C 1 1.034 3 3 0 -15.4161245624343 6622658 CC1=C(OC=N1)C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.154 2 2 -18.6352348674046 6622623 CCC1=CC=C(C=C1)NC(=O)C2=C3C=CC=CN3N=C2 1 2.785 3 1 -5.45708966167049 6622611 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=C(C(=NO3)C)Cl 1 3.716 3 2 2.34386330667379 6622592 CC1=C2C=CC(=O)C=C2NC(=C1)N(C)CC3=CC=CC=C3 1 2.941 2 1 -1.5887784130551 6622590 COC1=CC=C(C=C1)CNC(=O)OCC2=NC=CN=C2C(=O)NC3=NC=C(C=C3)Br 1 2.431 5 4 0 -11.3924952840834 6622586 C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)Cl)C(=C2C1)SCC(=O)O 1 5.214 2 3 -6.16749964493039 6622576 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N(C)CC3=CC=CC=C3 1 2.902 2 2 -10.6403600142005 6622575 CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2C)C4=CC=CC=C4N(C3=O)C 1 3.669 3 2 -5.39768523761986 6622573 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NCCC4=CC(=C(C=C4)OC)OC 1 3.471 3 4 0 -9.2236865191501 6622557 CCN1C(=C(C2=CC=CC=C21)C3=CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C 1 4.026 2 2 -13.4005640653242 6622554 CC1CCN(CC1)C2=CC(=C3C(=O)C=CC=C3N2)C 1 2.527 2 1 -6.56948526232013 6622549 C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)C(=C2C1)SCC(=O)O 1 5.286 2 3 -3.70014994675597 6622540 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NCCN(C)C 1 2.449 3 2 -6.75319766019456 6622539 COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCC(=O)O 1 1.547 2 6 0 -21.5758884414795 6622520 CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4 1 1.429 5 2 0 -4.31763923269971 6622517 C1CCCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)Cl 1 4.983 3 1 -4.87752242682762 6622503 CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)CCC(=O)O 1 2.795 3 5 0 -27.4575724338305 6622499 C1CCN(C1)CCCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4N=C3Cl 1 3.913 3 1 -4.21211210058998 6622494 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC=C4OC 1 2.477 4 5 0 -18.3074790691219 6622493 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 1.428 5 4 0 -13.8783661209024 6622480 C1C2=C(C=NC=C2)C(=O)N1CC3=CC=CC=C3 1 1.43 2 1 0 -5.17067529475553 6622479 COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)SCC(=O)O)OC 1 4.639 2 5 0 -14.6377839589101 6622478 CC1=C(N=C(N1)C2=CC3=C(C=C2)OCO3)C(=O)O 1 1.614 2 4 0 -1.42159864891751 6622477 CCOC(=O)N1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C 1 -0.432 5 7 0 -22.4415267903174 6622472 CC1=CC2=C(C=C1)OC(=O)C3=C2SC(=C3)C(=O)NCCCN4CCCCCC4 1 4.464 2 3 -9.18152751375434 6622467 CCC(C)NC(=O)C1=CC2=C(S1)C3=CC=CC=C3N(C2=O)CC 1 3.56 2 2 -13.3513082546908 6622452 CC1=CC(=NC=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC(=C(C(=C4)OC)OC)OC 1 4.056 3 4 0 -9.65020587180526 6622450 COC(=O)C1=C(ON=C1C2=CC=C(C=C2)Br)N 1 2.212 2 3 -2.57506752956155 6622439 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NCC(OC)OC 1 2.248 2 4 -13.1489677565991 6622432 CCCCN(C)C(=O)C1=CC2=C(S1)C3=CC=CC=C3N=C2Cl 1 4.785 2 1 -1.34667419388214 6622429 COC1=CC(=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4)OC 1 1.614 5 4 0 -10.4203629409769 6622426 C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCCC4=CC=CC=C4 1 2.635 4 3 0 -15.0124487277734 6622405 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)N(C)CC(OC)OC 1 2.454 2 4 -7.9205966913465 6622403 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)N(C)C4=CC=CC=C4OCC 1 4.425 2 3 -8.50838876600139 6622393 CN(CC(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.036 3 4 0 -22.8528689659341 6622388 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCCCN3CCCC3=O 1 0.271 3 4 0 -21.8661508921708 6622383 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)NC3CCCCC3)OC1=O 1 2.371 2 6 0 -13.4372668418687 6622379 CC1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)Cl 1 4.784 2 1 -5.02999920510264 6622375 CC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)N(C4=O)C)C 1 2.729 4 5 0 -27.0969802314633 6622366 CCOC(=O)N1CCN(CC1)C(=O)C(CC(C)C)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 1.647 4 7 0 -19.5726306303228 6622365 CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(N2C)C4=CC=CC=C4N(C3=O)C 1 3.508 3 3 -4.56178390907881 6622356 C1CCCN(CC1)C(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.31 4 3 0 -12.6426955425682 6622342 COC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)SCC(=O)O 1 4.328 2 4 -8.12222335083718 6622340 CCN1CCN(CC1)C(C2=CC=CS2)C(C)NS(=O)(=O)C3=CC=C(C=C3)C 1 3.508 3 2 -7.42654188332043 6622328 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)N3CCCCC3 1 1.628 5 1 0 -18.8151686791738 6622321 CCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.693 4 3 0 -19.9890507912731 6622319 CC(C)C(C(=O)NCC1=CC=CO1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.021 4 4 0 -21.8468714427549 6622315 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N(CC)C3=CC=C(C=C3)OCC 1 3.018 2 4 -7.42619330243817 6622312 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.078 2 5 0 -12.3877326813023 6622306 CC1=C(N=C(O1)C2=CC=CC=C2Cl)CS(=O)CC(=O)NC3CC3 1 1.663 2 3 0 7.60179693714374 6622298 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)N(C)CC(OC)OC 1 2.25 1 6 0 -14.3000530524281 6622296 C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)Br 1 3.207 2 0 5.13578218932907 6622293 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C)C(=O)NCCC3=CC=CC=C3 1 2.105 3 4 0 -15.0619500233446 6622279 CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)OC)C3=CC=CC=C3 1 3.398 3 2 -5.38583801706481 6622277 CCCCN(C)C(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CC 1 3.088 2 3 -9.56456747601454 6622276 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)(=O)CC(=O)NCCC3=CC=CC=C3 1 2.493 2 5 0 3.10348874232328 6622249 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCCC3=CCCCC3 1 2.533 2 3 -11.5351469961579 6622245 CC1=CC=CC=C1NC(=O)CS(=O)(=O)CC2=C(OC(=N2)C3=CC(=CC=C3)OC)C 1 2.652 2 5 0 4.4863613270249 6622243 CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)NC3CC3 1 3.053 2 2 4.54155220131454e-002 6622242 CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN(C2)CC3=C(OC(=N3)C4=CC(=CC=C4)C)C 1 2.75 4 4 0 13.992278188299 6622238 CCOC1=CC=C(C=C1)CCNC(=O)C2=C(C(=O)OC23CCC(CC3)C)C 1 4.206 1 4 -8.67460025265034 6622236 CCC(C)NC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCCCC3)CC 1 2.824 3 4 0 -23.7673522464129 6622235 COC1=CC2=C(C=C1)N=C(S2)NC3=CC=CC=C3 1 3.352 2 1 2.97019627996143 6622228 COC1=CC=CC=C1NC(=O)CSC2=C3CCCC3=NC4=CC=CC=C42 1 4.242 2 2 -7.98325742473701 6622221 CC1CCCCN1CCNC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C)C 1 2.429 3 3 4.68051743443725 6622211 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCCC(C)C 1 2.698 3 4 0 -25.0968585562325 6622210 CCOC(=O)C1=C(C=C(S1)NC2=NC3=C(S2)C=C(C=C3)OC)C 1 4.12 2 3 -4.13148642534655 6622203 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N(C)C3=CC=CC=C3)N)C(=O)OC 1 2.8 4 4 0 -25.8319007572524 6622198 C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 3.552 4 3 0 -16.9275280316348 6622194 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCCC3=CCCCC3 1 3.323 2 3 4.05738680013413 6622185 COC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCCCC3 1 3.918 1 5 -13.4689784241732 6622165 CC1=CC=CC(=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCC3=CC=CS3 1 2.319 2 3 6.91373585363048 6622158 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NC(C)C3=CC=CC=C3 1 4.067 1 4 -14.5552589469268 6622154 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC(OC)OC 1 0.599 3 6 0 -24.9487788660556 6622134 CC1=C(N=C(O1)C2=CC=CS2)CSCC(=O)N3CCC4(CC3)OCCO4 1 1.845 2 4 0 -5.03812915343238 6622126 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCC3 1 3.509 1 4 -12.3551842579472 6622104 CC1=C(N=C(O1)C2=CC=CC=C2F)CS(=O)CC(=O)NCC3=CC=CC=N3 1 1.363 3 3 0 2.98195657224337 6622102 CC1=C(N=C(O1)C2=CC=CC=C2Cl)CSCC(=O)NC3CCCC3 1 3.688 2 2 0.645913153773349 6622084 C1CCN(C1)C(=O)CSC2=C3CCCC3=NC4=CC=CC=C42 1 3.348 2 1 -5.3232860719044 6622071 C1CN(CCC1C(=O)N2CCN3C2=NC4=CC=CC=C43)S(=O)(=O)C5=CN=CN5 1 0.503 6 3 0 -8.00801428035747 6622068 CCC1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CC=C3 1 2.13 3 3 -12.538135792725 6622065 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC=C(C=C4)OC 1 3.677 3 4 0 -6.44767986039008 6622062 CC1=CC=CC=C1N2C(C(C2=O)OC3=CC=C(C=C3)Cl)CNC(C)(C)C 1 4.323 2 2 -2.79155589255881 6622048 CC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.557 3 4 0 -18.0694247684948 6622039 CCC1=CC(=CC=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4CCCO4 1 3.083 2 3 -12.8527217314238 6622014 C1COCCN1C2=C(C=C(S2)C(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4 1 4.388 2 2 -7.29753840434438 6622012 COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CO4 1 3.425 3 3 -6.23163832430212 6622009 C1CCN(C1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)Br 1 2.948 2 3 -7.20169880544947 6622007 CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=O)N3C(=N2)C(=CN3)C(=O)NC4=CC(=C(C=C4)F)Cl 1 2.104 5 4 0 -9.18004023806706 6621992 CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(N(N=C3C)C)C)Cl 1 2.432 4 3 0 -6.54320458750963 6621983 C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2C4=CN=CC=C4 1 3.08 3 1 -6.73657325599505 6621979 CC1=CC(=CC=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.204 3 3 -19.1533551689351 6621978 CC(C)C1=CC=C(C=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4)CC5=CN=CC=C5)O3 1 1.735 3 3 0 -0.456610861105537 6621960 CC1CCN(CC1)S(=O)(=O)C2=CN=CN2 1 0.127 3 2 0 -9.17670538844304 6621946 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NCCC3=CC=CC=C3 1 2.524 2 2 -18.9630154208479 6621945 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(O2)N=C4C=C(C=CC4=C3)OC 1 3.019 2 5 0 -5.85624434187345 6621933 CC1CCN(CC1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.197 5 3 0 -20.1910164307496 6621932 C1CN(CCC1C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CN=CN4 1 2.333 4 3 0 -11.505916994143 6621912 COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC5=CC=CC=C5C4)OC 1 4.507 3 3 -8.81537689209568 6621911 CC(CCC1=CC=CO1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCCCC4 1 3.776 2 3 -13.8173927425177 6621910 CCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 1 3.145 3 4 0 -23.1833608065494 6621897 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 1.067 4 6 0 -12.0331864811122 6621896 CC1CCC(CC1)NC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C 1 4.129 2 3 -11.401311907359 6621891 CCCCN(C)C(=O)C1=CC2=C(O1)N=C3C=C(C=CC3=C2)OC 1 3.536 2 3 -1.13430113377084 6621886 CC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCOCC4)C 1 3.537 4 2 -7.47193010142872 6621884 CCCN1CC2=CC=CC(=C2C1=O)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.913 3 2 -6.00563304082699 6621876 CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3C(=O)NCC4=C(C=CC(=C4)OC)OC)C5=CC=C(C=C5)OC 1 4.295 4 5 0 -8.92773686756226 6621861 CC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NCCCN4CCCC4 1 3.166 3 2 -1.66976552356444 6621858 C1CCN(CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CC4 1 2.018 3 3 -18.8239094532151 6621856 COC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)NC4=CC=CC=C4 1 4.205 4 1 1.13516649029236 6621854 CC1=C(C(=NO1)C)S(=O)(=O)N(C)C2=C(C=C(C=C2)OC)OC 1 1.372 2 5 0 -7.5663425931557 6621851 CCC1=CC=C(C=C1)NC(=O)CC2=CN(C3=CC=CC=C32)C 1 4.091 2 1 -4.71930716584362 6621850 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCC(C)C)N3CCOCC3 1 4.534 4 1 -13.3430461641276 6621843 CCCNC1=NC2=CC=CC=C2N3C1=NN=C3C 1 1.944 5 0 0 -4.90736880188655 6621837 CC1=C(C=CC=C1Cl)NC(=O)C2C(CC(=O)N2)C3=CC=CC=C3 1 2.903 2 2 -2.22342667265493 6621829 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(ON=C2C)C 1 1.686 2 3 0 -0.90227495410819 6621826 CN1C=C(C2=CC=CC=C21)CC(=O)NCCCN3CCOCC3 1 1.461 3 2 0 -11.0922491244162 6621816 CCC1=NC2=C(C=CC(=C2)C(=O)N3CCC4(CC3)OCCO4)SC5=CC=CC=C51 1 3.841 2 3 -9.99265611787823 6621813 CC1=C(C(=CC=C1)C)NC(=O)C2C(CC(=O)N2)C3=CC=CC=C3 1 2.724 2 2 -6.80225505836385 6621798 C1C(N=C(O1)C2=CC=CN2CC3=CC=C(C=C3)F)C4=CC=CC=C4 1 4.756 2 1 -2.7316531907939 6621788 CCC1=NC2=C(C=CC(=C2)C(=O)NCC3CCCO3)SC4=C1C=C(C=C4)Br 1 4.677 2 2 -13.5758613768418 6621783 CC(C)CCNC(=O)C1=NN=C(O1)CC2=CC=C(C=C2)Cl 1 3.023 3 2 -12.3647725885742 6621773 C1CC1C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)NCC4=CC=CC=C4 1 2.483 2 3 -16.4605408957525 6621756 CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)SC4=C1C=C(C=C4)Br 1 4.207 3 2 -11.4977507974677 6621739 CCC1COC(=N1)C2=CC=CN2CC3=CC=CC=C3Cl 1 4.504 2 1 -3.72215427614881 6621668 CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCN(CC3)C(=O)OCC)SC4=CC=CC=C41 1 3.932 3 3 -11.0683033391992 6621699 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C(C3=CC=C(C=C3)C(F)(F)F)SCC(=O)O 1 5.187 1 5 -3.11131253895076 6621686 CN(C1=CC=C(C=C1)OC)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.521 4 4 0 -12.6831546077541 6621654 COC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32)OC 1 0.693 4 5 0 -20.7037489469631 6621653 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3)C 1 2.77 2 3 -12.885721867714 6621648 CCC1=CC2=C3C(=CN=C2C=C1)C(=NN3CC(=O)OCC)C4=CC=CC=C4 1 4.811 3 2 2.02660970483893 6621635 CCC1=CC=C(C=C1)NC(=O)CCC2=NC3=CC=CC=C3N2 1 3.548 3 1 -8.09215937763791 6621633 CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2NCCC4=CC=CC=C4)C 1 4.268 5 0 -4.6413982683986 6621626 CCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 5.277 1 3 -4.7897661369277 6621625 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 -0.51 4 7 0 -27.280487511637 6621596 CC(C)CC1(NC(=S)C(=N1)C2=CC=CC=C2)C 1 3.557 2 0 0.53974009550788 6621590 C1CN(CCC1C(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.78 4 4 0 -17.3463360092869 6621576 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)NC3=CC(=CC=C3)SC 1 3.579 1 3 -3.07401073283414 6621571 CCC1CCCCN1C(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CC4=CC=CC=C4Cl)OC)OC 1 4.275 3 5 0 -14.8628271154156 6621568 CCN(C1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.328 4 4 0 -14.5627140381365 6621557 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC=CC=C3 1 -3.6e-002 4 5 0 -25.2706815139023 6621554 CC1=CC(=NN1)NC(=O)CN2C3=C(C4=C(S3)CCCC4)C(=O)N(C2=O)C5=C(C=C(C=C5)OC)OC 1 3.455 5 5 0 -18.8966200293808 6621552 CC1(NC(=O)C(=N1)C2=CC=CC=C2)C 1 1.102 2 1 0 0.429861367180278 6621547 C1CCCC(CCC1)NC(=O)CCCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=O 1 3.834 3 3 -12.7772244750581 6621536 CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.293 4 4 0 -15.6307976210638 6621535 CC1=CC(=CC(=C1)NC(=O)CS(=O)(=O)C2=CC=CC3=NSN=C32)C 1 3.092 3 3 -8.33262820863755 6621534 CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 0.522 4 5 0 -18.8655470016297 6621533 CSC1=CC=C(C=C1)NC(=O)NCCCN2CCC(CC2)CC3=CC=CC=C3 1 4.346 3 1 -0.129442340384985 6621530 CCOC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC(=O)NCC4CCCO4)SC5=C3CCCC5 1 3.473 3 5 0 -25.5241777774654 6621529 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCCCC3)N4CCN(CC4)C 1 4.676 5 0 -7.38954463823747 6621526 C1CCC2(C1)NC(=S)C(=N2)C3=CC=CC=C3 1 3.13 2 0 4.8137626698815 6621522 CC1=CC2=C(C=C1N=CN(C)C)N=C3C(=N2)C(=O)N(C(=O)N3)CC=C 1 1.813 6 2 0 -5.69359948385005 6621521 CC1CCCC(C1C)NC(=O)CCCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=O 1 3.493 3 3 -13.6844907008974 6621519 CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)C(C)(C)C 1 4.623 2 3 -7.50900727805891 6621518 CN(CC(=O)NC1=NC2=C(S1)C=C(C=C2)OC)S(=O)(=O)C3=CC=CS3 1 1.979 3 4 0 -9.89496782027405 6621516 CC(C)CC(=O)NC(=S)NC1=CC=CC2=NSN=C21 1 3.604 4 1 -9.50938586581301 6621506 CC1=C(C(=CC=C1)C)NC(=S)NCCCN2CCN(CC2)C3=CC=C(C=C3)OC 1 5.298 4 1 -5.79140251652975 6621489 CCOC1=CC=C(C=C1)/C(=C/C(=O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C)/O 1 1.448 2 7 0 -10.3251423336945 6621466 CC1CCCC(N1CCNC(=O)NC2=CC=C(C=C2)Cl)C 1 3.421 3 1 -8.36515032505213 6621465 C1CC1(C(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.544 1 3 -6.0866954439346 6621464 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N(C)CC4=CC=CC=C4)C(=C2)C 1 5.691 5 0 -3.49051331456911 6621460 CCCCN(CC)C(=O)CN1C2=CC(=C(C=C2C(=O)N(C1=O)CC3=CC=CC=C3Cl)OC)OC 1 4.134 3 5 0 -16.85630338559 6621457 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C(=O)C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5 1 3.219 3 5 0 -15.5560732458417 6621443 CN(C1=CC=CC=C1)C(=O)C2=NOC3=C2CCC4=C3C=CC(=C4)OC 1 4.097 2 3 -3.30534527125662 6621438 CCC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 2.705 2 3 -7.77359639047026 6621436 CCCN1C=NC2=C1C=CC(=C2)NCC3=CC=CS3 1 3.556 3 0 -6.8567998576576 6621429 CC1=CC=C(C=C1)N2C=C(N(C2=O)CC(=O)NC3=CC=C(C=C3)OC)C4=CC=CC=C4 1 3.433 3 3 -6.92484121045211 6621419 CCOC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(S2)Br 1 2.312 2 4 -12.4554665115812 6621412 CCN(CC)C(=S)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC 1 3.456 2 4 -16.5121716641302 6621410 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NCC3COC4=CC=CC=C4O3 1 2.842 2 5 0 -11.7863062655543 6621400 CCOC1=CC=C(C=C1)NC(=O)C2=CN(C(=O)C3=C2C4=CC=CC=C4N3C)CC(C)C 1 3.992 3 3 -8.62623174722905 6621397 C1=CC=C(C=C1)CNC(=O)CNS(=O)(=O)C2=CC=C(S2)Br 1 1.738 2 3 0 -15.0562649652654 6621395 CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 4.038 2 2 -10.832451445422 6621390 CCOC(=O)C1=CC=CC=C1NC(=S)N2CC(CC(C2)C)C 1 4.808 2 2 -17.8747586260511 6621384 CC1CC(CN(C1)C(=O)CN2C3=C(C(=O)N(C2=O)CCCC(=O)NCC4=CC=CO4)SC=C3)C 1 2.145 4 5 0 -28.5662425663363 6621377 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=NOC4=C3CCC5=CC=CC=C54 1 4.569 4 2 -8.7093846668346 6621373 C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 3.326 2 2 -13.923189907311 6621367 CC1CC(CN(C1)C(=S)NC2=C(SC=C2)C(=O)OC)C 1 4.412 2 2 -15.0044193826177 6621366 CC1CCCCN1C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC 1 4.053 2 4 -16.5060623239506 6621364 COC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=C(C=CS3)N(C2=O)CC4=CC=CC=C4 1 3.702 3 4 0 -13.2280152985199 6621361 CC1C(NC(C(C1=O)C)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br 1 5.194 1 1 -0.573122213298082 6621358 CC(C)CC1=CC(=NO1)C(=O)NC2=CN=CC=C2 1 1.867 3 2 0 -5.8805847604138 6621355 CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NCC4CCCO4)F 1 2.616 3 4 0 -17.7254868255715 6621349 C1=CN(N=C1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F 1 4.321 4 0 6.5998473054782 6621348 CC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 3.088 1 3 -16.5672074854484 6621347 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NOC4=C3CCC5=CC=CC=C54 1 5.166 4 2 -9.58250529637006 6621345 COC1=CC=CC(=C1)CN2CCC3=C(C2)C(=O)NC(=S)N3 1 1.728 3 2 0 -8.23354083454197 6621342 CCC1=CC(=CC=C1)NC(=O)NC(=O)CN2C(=C(N=N2)C(=O)OC)C(=O)OC 1 1.802 5 6 0 -14.8284274474881 6621329 CC1CC(CN(C1)C2=NC3=C(C=C(C=C3)NC(=O)CCC(=O)N4CCCC4)C(=C2)C)C 1 3.35 4 2 -15.1664115799139 6621322 CC(C)N1C=NC2=C1C=CC(=C2)NCC3=CC=CC=C3O 1 3.427 3 1 1.76267041225405 6621319 CC1CC(CN(C1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C 1 4.314 2 4 -18.7177820571869 6621318 CC1=CC(=C(C=C1)N2C=C(NC2=S)C3=CC(=C(C=C3)OC)OC)C 1 4.774 2 2 -3.35762392853376 6621317 CCC1=CC(=CC=C1)NC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=O 1 2.872 3 3 -11.8040692467396 6621307 COC1=CC=CC=C1C2=CC(=NO2)C(=O)N3CCCC4=CC=CC=C43 1 4.027 2 3 -7.54560873706674 6621296 C1CC(CN(C1)C2=NC3=C(C(=O)S2)SC=C3)C(=O)NCC4=CC=CC=C4 1 3.588 3 2 -16.963465115083 6621289 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CS5)NC4=O 1 4.652 3 4 0 -7.51640939033655 6621281 CCC(C)NC(=O)C1=CN(C(=O)C2=C1C3=CC=CC=C3N2C)CCOC 1 2.01 3 3 -14.0782592370429 6621278 C1CC2=CC=CC=C2N(C1)C(=O)C3=NOC(=C3)C4=CC=C(C=C4)F 1 4.249 2 2 -3.87534425078446 6621273 CC1(CC(=O)C2=C(O1)C=CC(=C2)OCC(=O)NCCN3CCOCC3)C 1 0.94 2 5 0 -18.1619225154085 6621269 COC(=O)C1=C(C=CS1)NC(=S)NC2=CC=CC=C2 1 4.175 2 2 -9.48648856121683 6621247 CCC1=CC=C(C=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.819 3 3 0 -17.3272436080378 6621246 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=C(C=CS5)NC4=O)C 1 4.351 4 3 0 -6.30861181975741 6621232 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)N4CCN(CC4)C 1 3.276 4 4 0 -4.75996293353897 6621226 C1CCN(CC1)C(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.423 3 3 0 -19.3327940411374 6621193 COC1=CC2=C(C=C1)N=C(S2)NC(=O)CNS(=O)(=O)C3=CC=CS3 1 1.773 3 4 0 -12.2062563544756 6621188 CCC1=CC=C(C=C1)NC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.571 3 3 0 -15.3614431727375 6621186 C1=CC=C(C=C1)NC2=C(N=C3N2C=CC=C3)C4=CC=CO4 1 4.001 3 1 1.02239149116768 6621177 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NCC3=CC=CC=C3OC)Br 1 3.124 2 4 -13.4749388792065 6621173 C1CCN(CC1)C(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.175 3 3 0 -17.2678036185635 6621172 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4 1 3.131 3 4 0 -4.47739273431394 6621168 CC(=O)NC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCCC3 1 3.297 3 3 -13.2154053120766 6621166 CC1C(NC(CC1=O)C2=C(C=CC(=C2)Br)OC)C3=C(C=CC(=C3)Br)OC 1 4.699 1 3 0.256566790672533 6621163 CC(C)CCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)NC2=O 1 3.096 3 3 -16.0631360986765 6621149 CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCN(C)C)C3=CC=CS3 1 1.781 3 4 0 -12.0217258238787 6621139 CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NC2=CC=CC(=N2)C 1 3.775 3 2 -16.7892076969881 6621133 C1CCC(C1)NC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3 1 4.628 3 0 2.43729682499346 6621129 CCC1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=N3 1 4.527 4 1 -10.4062567020856 6621116 CC1=CC(=C(C=C1)C)N(C)C(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 2.988 3 4 0 -11.104018833066 6621103 C1=CC2=NON=C2C(=C1)S(=O)(=O)CCC(=O)NCC3=CC=C(C=C3)Cl 1 2.481 3 4 0 -14.5896204291593 6621092 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)OCC 1 2.109 1 3 -8.81857378355496 6621081 COC1=CC=CC=C1CNC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 1.8 3 5 0 -19.036237386481 6621071 CC1CCCC(C1C)NC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 3.443 4 4 0 -16.2540402823858 6621056 CN(C1=CC=C(C=C1)OC)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5 1 2.395 6 2 0 0.58080709746541 6621049 CC1CCCN(C1)C(=O)CC2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)Cl 1 5.262 2 1 -8.81619131979008 6621007 CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)N3CCN(CC3)C4=CC=CC=C4 1 4.344 3 3 0.663386639082848 6621000 CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)N(C)CC3=CC=CC=C3 1 4.298 2 3 -0.901130415163808 6620956 CC1=C(/C(=C\2/C=CC(=O)C=C2O)/NN1)C3=CC(=C(C=C3)OC)OC 1 1.021 2 4 0 -7.18692844355846 6620948 CC1=C(/C(=C/2\C(=CNN2)C3=NC4=CC=CC=C4S3)/C=CC1=O)O 1 1.478 3 2 0 1.7877131845392 6620926 CCOC(=O)COC1=CC=C(C=C1)C2CC(=NN2C3=CC=CC=C3)C 1 3.547 2 3 -9.98042690505819 6620901 C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Br 1 4.574 4 2 -18.3874914787836 6620894 CC1=NC(=C2C(=C1)C3=CC=CC=C3OC2=O)NC(=O)C 1 1.741 2 3 0 -7.3191705295835 6620893 COC1=CC=C(C=C1)C(=O)N=C2CCC(=C3N2CCC4=CC(=C(C=C43)OC)OC)C#N 1 3.227 3 4 0 -12.5373751800779 6620847 CC(C)NC(=O)C(=NO)C1=CC=CC=C1 1 1.717 2 2 0 -9.62533038962111 6620839 CC1=CC2=C3CCCC(=C3N=C2C=C1)NCC=C 1 2.599 2 0 -9.21633895337147 6620823 CCOC(=O)C1=CC=CC=C1OC2=C(C(=NC(=C2F)F)NCCO)F 1 2.777 2 4 2.35649440531525 6620819 CN1CCN(CC1)C(=S)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)F 1 4.913 3 0 -3.15818644154329 6620818 COC(=O)C1=CC=CC=C1OC2=C(C(=NC(=C2F)F)N3CCOCC3)F 1 2.861 2 4 -2.41736550692052 6620813 C1=CC=C(C=C1)/C(=C/2\C(OC(=O)C2=O)C3=CC=C(C=C3)Cl)/O 1 3.482 0 4 -0.232301136053956 6620795 C=CCN1[C@H]2CS(=O)(=O)C[C@H]2NC1=S 1 1.103 2 2 0 -12.1424586449635 6620761 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)N=CC3C(=O)CCCC3=O 1 3.287 1 4 -2.91649560400373 6620755 CC1=CC(=C(C=C1)NCC2=CN=C(C=C2)Cl)NCC3=CN=C(C=C3)Cl 1 4.546 4 0 -1.17795223577258 6620751 CCOC(=O)C1=C(SC(=C1)C)N=CC2C(=O)NC(=S)NC2=O 1 1.453 3 4 0 -7.70184880864715 6620747 C1COCCN1NC(=O)C2=CC(=CC=C2)COC3=CC(=CC=C3)Br 1 2.755 2 3 -7.58004792476822 6620731 CC(C(=O)O)NC=C1C(=O)OC(OC1=O)(C)C 1 -0.661 1 6 0 -10.3960423311981 6620704 C1CSC(=N1)NC(=O)CNC(=O)C2=CC=C(C=C2)Br 1 1.91 3 2 0 -17.2667280566181 6620698 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)NC4=CC=CC=C4F 1 3.364 2 2 -36.0226287800932 6620684 CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C#N)SCC(=O)N)C 1 1.807 3 3 0 -32.5967430951192 6620682 CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=CC=CC=C3F 1 3.624 2 3 -7.87384194295911 6620674 CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)OC)C 1 2.357 2 4 -21.9929118308099 6620659 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC(=O)C 1 2.934 2 6 0 -7.65741555897195 6620652 C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)C(F)(F)F 1 4.414 5 1 2.44590501525844 6620650 CCN(CC)C(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C 1 2.732 5 3 0 -19.8569731306105 6620649 CC(C(=O)O)NC(=O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3 1 3.413 1 3 -6.67979502359805 6620639 CCC1(CC(=NN1C(=O)C2=CC=CC=C2)C(=O)OC)O 1 1.383 2 4 0 -7.47125881042963 6620638 CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3CCCCCC3 1 4.156 2 3 -9.45254267840713 6620610 C=CCN1C(=O)C(SC1=NC2=CC=C(C=C2)C(=O)O)CC3=CC(=CC=C3)Cl 1 5.039 2 3 -7.52817647509276 6620587 CC1=CC2=CC(=C(C=C2C(=N1)CC3=CC=CC4=CC=CC=C43)OC)OC 1 4.727 1 2 -0.530846731985208 6620582 COC1=C(C=C(C=C1)CCN=C2N(C(=O)CS2)CC3=CC=CC=C3)OC 1 3.967 2 3 -11.9938385892912 6620539 C1=CC=C(C(=C1)C(=O)C(=NO)N2C=NC=N2)Cl 1 1.861 4 2 0 -4.19923002100829 6620535 CN(C1CCCCC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)OC)OC 1 4.001 3 4 0 -8.05535656372655 6620526 CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)SC4=C1C=C(C=C4)C 1 4.489 3 1 -12.0738799469993 6620524 CC1=CC=C(C=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCC3 1 3.516 1 4 -8.67374530293883 6620517 COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3CCN(CC3)S(=O)(=O)N4CCOCC4 1 0.143 5 5 0 -14.9060776573723 6620510 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CSCC(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 3.283 3 4 0 0.641667181644061 6620509 C1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=C(C=C3)F 1 3.737 1 4 -9.19998489670815 6620506 C1CCCC(CC1)NC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=C(C=C3)F 1 4.147 1 4 -8.31633679164166 6620502 CCC1CCCCN1CCCNC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=O 1 3.741 4 3 0 -19.001360791926 6620499 CN(CC1=CC=CC=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O 1 1.973 3 5 0 -21.2667038979299 6620494 COC1=CC=CC(=C1)NC(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O 1 1.744 3 6 0 -17.825757479546 6620479 C1CCN(C1)CCCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)NCC5=CC=CC=C5 1 4.695 4 2 -19.1834087402886 6620473 C1CC(OC1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4F 1 4.013 3 3 -33.0267790330497 6620462 C1CCC(C1)(CC2=NS(=O)(=O)C3=CC=CC=C3N2)CC(=O)NCCC4=CC=CC=C4 1 3.315 3 3 -10.954338494467 6620454 C1CCC(C1)NC(=O)CSC2=NC3=C(C(=O)N2CCCN4CCOCC4)SC5=CC=CC=C53 1 3.74 4 3 0 -20.2322524935296 6620445 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2 3 -2.57747104111779 6619170 C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(=CC3)C4=CC=CC=C4)NC1=O 1 2.887 3 3 -15.6042327224184 6619168 CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4 1 2.395 4 3 0 -8.85024441392922 6619155 C1CCC(CC1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3 1 3.485 2 3 -16.6626150125321 6619154 CCC(C)NC(=O)C1CCCCN1S(=O)(=O)C2=CC=C(C=C2)F 1 2.514 2 3 -18.5796731428835 6619153 CC(C)CC(C(=O)N1CCN(CC1)C2=CC=CC=C2OC)NC(=O)C3CCCCC3 1 4.094 3 3 -12.2362531386822 6619152 CCN1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4 1 2.39 5 3 0 -12.9832110661372 6619148 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N(C)C3=C(C=C(C=C3)OC)OC)Br 1 3.307 2 5 0 -13.5339469899822 6619146 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCN3C=CN=C3 1 1.518 4 3 0 -4.53548834814527 6619139 COC1=C(C=C(C=C1)CCNC(=O)C2=NOC(=C2)C3=CC=CO3)OC 1 2.997 2 5 0 -10.6600703212212 6619138 C1CCN(C1)C(=O)C2=NOC(=C2)C3=CC(=CC=C3)O 1 2.155 2 3 -0.482708650945563 6619137 C1CCC(C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CS4)NC3=O 1 2.917 3 3 -11.269869996692 6619133 CC(C)CCNC(=O)C1CCCCN1S(=O)(=O)C2=CC=C(C=C2)F 1 2.845 2 3 -20.0456298056532 6619130 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4=CC=C(C=C4)OC 1 2.491 2 6 0 -12.897686287098 6619116 C1CCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)OCC(=O)NCC4=CC=CC=C4 1 3.829 1 4 -15.5309118273771 6619115 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)CCC(=O)NC4=CC(=C(C=C4)OC)OC)C(=C2)C 1 2.977 5 4 0 -9.25092476132905 6619110 COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3=C(C=CS3)NC2=O)OC 1 1.655 3 5 0 -18.1461703160114 6619109 CCC(C)C(C(=O)NC1=C(C=CC(=C1)OC)OC)NC(=O)C2CCC(CC2)C 1 4.139 2 4 -24.133968784114 6619107 CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)N2CCC3=CC=CC=C3C2 1 4.003 2 2 -22.6124491678764 6619102 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3CCCC3 1 3.116 2 3 -4.25390117029057 6619100 COC1=CC(=C(C=C1NC(=O)C2=NOC(=C2)C3CC3)OC)Cl 1 3.032 2 4 -18.3430123116795 6619098 CC1CCCC(N1C(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4)C 1 3.376 2 4 -6.46821223267977 6619097 CCC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CS4)NC3=O 1 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1 4 0 -10.2532818611498 7909311 C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CN2 1 1.337 2 5 0 -14.3159530888796 7909292 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)CCNS(=O)(=O)C3=CC=CC=C3 1 1.772 3 5 0 -15.1846925059672 7909279 CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 2.483 2 5 0 -15.3942171291098 7908231 C1=CC(=C(C(=C1)F)NC(=O)COC2=CC=C(C=C2)C3=NN=CO3)F 1 2.16 3 3 -3.82849284076675 7908167 CN(C)C(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.517 2 5 0 -11.0381850798606 7905842 CC[C@H](C)[C@@H](C(=O)NCCC1=CC=C(C=C1)Cl)NC(=O)N 1 2.576 3 2 -16.1486936509762 7903274 C1=COC(=C1)CNC(=O)COC(=O)CSC2=CC=C(C=C2)Br 1 2.652 1 4 -14.4391273679232 7903084 COC1=CC=CC(=C1)N2C=NN=C2SCC(=O)NC3CC3 1 1.593 4 2 0 -14.3265824968596 7901364 COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=CC=C3F)F 1 3.608 4 2 -5.73106975741106 7901316 CC1=CC(=CC(=C1)NC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)C 1 3.971 3 2 -20.7642019920059 7901304 CC(=O)C1=CC(=CC=C1)NC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 2.739 3 3 -22.8709679992789 7901206 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O 1 1.63 2 5 0 -16.1054904316403 7899967 COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 1.946 2 3 0 -14.2927499563535 7899222 CC1=CSC2=NC(=CC(=O)N12)COC(=O)CNC(=O)C3=CC=C(C=C3)Cl 1 1.788 3 4 0 -17.135265436917 7898150 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCC3=CC(=CC=C3)Br 1 2.556 2 4 -5.28237619131892 7898134 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCC3=C(C=CC=C3Cl)F 1 2.677 2 4 -6.94045362913913 7898133 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCC3=CC=C(C=C3)C#N 1 1.686 3 4 0 -8.12687018031858 7898098 CC1=CC(=CC=C1)OCCOC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.342 2 5 0 -5.61942540697952 7898067 CSC1=NN=C(S1)SCC(=O)NC(=O)C2=CC=CC=C2 1 2.437 3 2 -15.177023152369 7897818 CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)C)N 1 2.287 6 3 0 -7.04443917716523 7897207 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCCC3 1 2.395 4 3 0 -21.548228050925 7894432 CC1=CC(=C(C=C1)NC(=O)COC2=CC3=C(C=C2)OCO3)C 1 3.19 1 4 -9.79929399023432 7894417 CC1=CC(=C(C=C1)NC(=O)COC2=CC3=C(C=C2)OCO3)Cl 1 3.368 1 4 -5.06624529485633 7893958 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=CC=CC4=C3N=CC=C4 1 2.214 3 4 0 -23.23928438897 7893829 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)F)C(=O)N 1 2.182 2 4 -15.0018721933263 7893825 COC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N 1 2.009 2 6 0 -16.4546418694858 7893821 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCCOC3=CC=CC=C3F)C(=O)N 1 2.231 2 5 0 -16.1673336486073 7893131 C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)CC3=NC(=NO3)C4=CC=CC=C4 1 0.331 4 4 0 -6.16038851961338 7893019 COC1=CC=CC=C1OCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)N4CCOCC4 1 2.133 3 5 0 -9.12639639416692 7892717 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4 1 2.617 4 4 0 -3.73981713457251 7892710 CC1=C(OC2=C1C=CC=C2Cl)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.619 2 2 11.1093447260245 7890955 COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CC2=CC=CS2 1 2.958 1 4 -10.996510087374 7890942 CCOC1=CC=CC=C1NC(=O)COC(=O)CC2=CC=CS2 1 2.642 1 4 -15.0376804223833 7890940 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)CC2=CC=CS2 1 1.913 2 5 0 -19.3489508812245 7890742 C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3O 1 4.197 1 4 -9.8215958187223 7890703 COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC2CCCCC2 1 2.562 1 5 -11.711413861934 7890422 C1CCC(CC1)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-] 1 0.542 3 4 0 -11.7628526414974 7890305 C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=C(C=CC3=O)[N+](=O)[O-] 1 2.8e-002 3 6 0 -11.8241059518688 7890276 C1CN(CCN1C(=O)COC(=O)C2=CC(=CC=C2)O)C(=O)C3=CC=CO3 1 0.985 2 6 0 -9.80677517050225 7890273 COC1=CC=CC=C1CNC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-] 1 0.251 3 5 0 -15.8739433609237 7890131 C1=CC(=C(C=C1Cl)Cl)CNC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-] 1 1.596 3 4 0 -12.1628318775605 7889414 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC=NC3=C2C=CS3)N 1 1.622 5 3 0 -15.6047196896582 7889281 CC1=C(C=C(O1)CSC2=NC=NC3=C2C=CS3)C(=O)OC 1 2.959 2 3 -9.20968695575735 7889279 C1CC(=O)N(C1)C(=O)CSC2=NC=NC3=C2C=CS3 1 1.498 3 2 0 -16.0198756094621 7888960 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C3N2C=CC=C3)N 1 1.117 6 3 0 -18.9386107872237 7888866 COC1=CC=CC=C1NC(=O)COC(=O)C2=CNC3=CC=CC=C32 1 2.598 2 4 -9.83892795632452 7888653 CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C3N2C=CC=C3 1 2.705 5 3 0 -18.0225214506889 7888316 CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)N4CCNC4=O 1 2.822 4 2 -19.969165616179 7888068 CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O)C 1 2.882 2 4 -18.8391602947473 7888050 CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O 1 3.31 2 4 -15.8722621468059 7888046 CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O 1 3.061 2 4 -18.0256940930422 7888034 CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O 1 3.061 2 4 -17.1944572807836 7888012 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O)Cl 1 3.061 2 4 -16.4796886975183 7884409 COC1=CC(=CC(=C1)C(=O)NCC(=O)OCC2=CC(=C(C=C2)Cl)Cl)OC 1 3.624 1 5 -11.078272846896 7883811 COC1=CC=CC=C1C(=O)COC(=O)CNC(=O)C2=CC=C(O2)Br 1 1.947 1 6 0 -16.3119604234066 7881393 CC1CCC(CC1)NC(=O)COC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2 1 2.823 2 4 -16.2680913363067 7879666 C1=COC(=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 1.494 3 5 0 -9.54836087766442 7877621 C1=CC(=CC=C1C(=O)NCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)F 1 0.375 3 5 0 -16.8599711807829 7877286 CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NN=C3N2CCCCC3)N 1 1.135 6 3 0 -18.5792153853359 7876459 CC(C)(C)C1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 3.308 6 1 0 -13.0777903579386 7876085 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCCC3)C#N 1 3.303 4 2 -19.3987543947809 7875717 CC(C)[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CO4 1 2.963 2 3 -16.6844093133613 7875101 CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)CC(=O)N3CCOCC3)C 1 3.295 1 5 -16.2671685639112 7874990 CC1=CC(=C(N1C2CC2)C)C(=O)CN3C=NC4=CC=CC=C4C3=O 1 2.292 3 2 -10.2249904740626 7874947 COC1=CC(=C(C=C1)C(=O)CN2C=NC3=CC=CC=C3C2=O)OC 1 2.179 2 4 -6.83034130187555 7874936 COC1=CC=C(C=C1)C(=O)CN2C=NC3=CC=CC=C3C2=O 1 2.195 2 3 -6.73871730052621 7874903 COC1=C(C=C(C=C1)C(=O)CN2C=NC3=CC=CC=C3C2=O)OC 1 2.179 2 4 -11.3123166258784 7874758 CC1=CC(=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)CC(=O)N3CCOCC3)C 1 3.295 1 5 -13.3927308180208 7874697 C1=CC=C(C=C1)CC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.507 3 6 0 -15.3438419323218 7874687 C1=CC=C(C=C1)CC(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.197 3 4 0 -7.62783944843942 7873748 CC(C)[C@@H](C(=O)N(C)CC1=C(C=CC=C1Cl)F)NC(=O)C2=CC=CO2 1 3.479 2 3 -14.6445741053371 7873277 COC1=CC=C(C=C1)/C=C(/CC(=O)NC2=CC=CC=C2)\C3=NC4=CC=CC=C4S3 1 5.07 2 2 -2.98834459369182 7873222 C1CC1C(=O)OCC(=O)NC2=C(C=CC=C2Cl)C(F)(F)F 1 3.021 1 3 -8.68184244182096 7873214 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2CC2 1 1.018 2 5 0 -19.0653620367886 7872437 CC(=O)NC1=CC=C(C=C1)NC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 2.119 4 3 0 -23.489921812911 7872398 CCC1=CC(=CC=C1)NC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 3.941 3 2 -19.4506588936135 7871136 COC1=CC=CC=C1CCC(=O)OCC(=O)NC2CC2 1 1.709 1 4 0 -16.4535708594572 7871107 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CCC3=CC=CC=C3OC 1 3.038 2 5 0 -10.9275613590474 7871097 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CCC3=CC=CC=C3OC)C 1 2.604 2 5 0 -19.3833484729919 7871050 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCC2=CC=CC=C2OC)N 1 1.908 3 6 0 -22.122455250335 7870975 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCCCCC2 1 0.413 3 6 0 -18.2622045412988 7870949 CC1=CC(=CC=C1)OCCOC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.892 2 6 0 -12.5320838919924 7870790 C1=CC(=CC=C1C(=O)CCCOC(=O)C2=C(C=C(C=C2)O)O)F 1 3.232 0 5 -0.777105164327717 7870784 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=C(C=C(C=C3)O)O 1 2.492 3 5 0 -4.90406103217514 7870757 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=C(C=C(C=C2)O)O)N 1 0.95 3 7 0 -12.8225954409836 7870753 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)C3=C(C=C(C=C3)O)O 1 1.678 3 6 0 -2.11322181377318 7870707 C1=CC(=C(C=C1O)O)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 1.89 2 5 0 -2.40616238950908 7870704 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=C(C=C(C=C3)O)O 1 1.623 1 7 0 -8.52491379414571 7870425 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CC=C2 1 1.072 2 6 0 -20.1548051785686 7870411 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC=CC=C2F 1 1.605 2 5 0 -15.0215492015222 7870200 CC1=CC=C(C=C1)NC(=O)C/C(=C/C2=CC=C(C=C2)OC)/C3=NC4=CC=CC=C4S3 1 5.556 2 2 -2.66327745830607 7869250 CC1=C(C(=NN1CC(=O)OCC(=O)C2=CC=CC=C2OC)C)[N+](=O)[O-] 1 1.749 3 6 0 -11.5087914227609 7868862 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)/C=C/C3=CC=C(O3)Br 1 2.162 1 6 0 -10.0506402583961 7868251 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NCC2=CC=CC=C2OC 1 2.602 2 5 0 -17.4617839960354 7867559 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)C3=C(N=CC=C3)Cl 1 1.885 4 4 0 -5.8335631565607 7886435 CC1=C(C(=NN1CC(=O)N(C)C2(CCCCC2)C#N)C)[N+](=O)[O-] 1 1.726 5 3 0 -10.2628131626673 7886303 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC 1 2.665 1 6 0 -14.0516201612324 7866524 C1=CC=NC(=C1)C(=O)OCC(=O)NC2=C(N=CC=C2)Cl 1 1.322 3 3 0 -10.6027431547844 7866208 C1CCC(C1)(C2=CC=C(C=C2)F)C(=O)OCC(=O)N3CCNC3=O 1 2.21 2 4 -12.2850007382962 7866037 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.269 3 5 0 -10.8324109534625 7864530 C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.298 3 5 0 -14.2822685224352 7864467 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.056 4 6 0 -10.4375773114441 7863733 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CC2)Cl 1 2.565 1 3 -9.97091894971371 7863705 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2CC2 1 1.345 2 4 0 -15.8256666059468 7863473 C1CC1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2 1 1.287 1 4 0 -12.8268082322095 7863396 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2CC2)OCC 1 2.408 1 5 -19.3568916950167 7863373 C1CC1C(=O)OCC(=O)NCCNC(=O)COC(=O)C2CC2 1 -0.504 2 6 0 -14.5846885049799 7863291 C1CC1C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 2.132 2 3 -6.49375546798124 7863233 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)COC(=O)C3CC3 1 2.326 2 5 0 -9.21799331530554 7863195 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2CC2)C 1 2.255 1 5 -14.4274520470111 7862895 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)C3=CC=C(C=C3)F)C 1 2.224 4 3 0 -15.2888499551952 7862794 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)NNC(=O)C3=CC=C(C=C3)Cl)C 1 1.32 6 4 0 -17.505208588271 7862790 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)N(CC3=CC=CC=C3)C(C)C)C 1 2.338 5 3 0 -17.7736088988134 7862764 CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 2.07 6 3 0 -19.093001895571 7861876 COC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.146 3 5 0 -6.66250359145229 7861191 C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-] 1 2.483 3 5 0 -3.6060010972071 7860706 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)/C=C/C3=CC=CC=C3 1 3.444 3 3 -6.86330651161037 7860683 C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.94 3 6 0 -11.7884697770908 7859422 C1=CNC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.22 2 5 0 -8.79727637809642 7858791 CC(C)[C@@H](C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CO4 1 2.67 2 5 0 -20.8247160868697 7858789 CC(C)[C@@H](C(=O)NC1CCCCCC1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.69 2 5 0 -23.6192550392449 7858642 CC1CCN(CC1)C(=O)COC(=O)[C@H](C)NS(=O)(=O)/C=C/C2=CC=CC=C2 1 1.309 2 5 0 -11.1501021825602 7858185 CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.337 3 3 -18.9711573786476 7856937 CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC 1 1.88 4 4 0 -29.4105056358813 7856530 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NC2CCCC2 1 3.203 1 4 -10.7431480470472 7856516 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NC2CC2 1 2.29 1 4 -11.2567542272144 7856493 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.619 2 5 0 -5.82847462707895 7856485 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C 1 3.185 2 5 0 -14.0181188437366 7856414 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2 1 3.164 2 5 0 -11.0040063538092 7856384 CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NCC2=CC=C(C=C2)F 1 3.59 1 4 -11.3186944056476 7856020 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2CC2 1 2.718 1 4 -9.60290142243194 7855959 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC(=O)NC2CCCC2 1 3.411 2 5 0 -9.84844888948837 7855934 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl 1 3.528 2 4 -7.14900528019739 7855787 CCOC1=CC=C(C=C1)NC(=O)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C 1 3.13 1 6 0 -13.984265972248 7855781 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)OC)C 1 2.653 1 7 0 -16.0996379853869 7855780 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N)C 1 1.8 2 6 0 -17.1533390005572 7855779 CC1=CC(=C(C=C1)NC(=O)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C)C 1 3.77 1 5 -15.847845265629 7855777 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C 1 3.77 1 5 -14.864145852345 7855770 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC(=O)NC3=CC=CC=C3)C 1 2.797 1 5 -13.3395525335481 7855755 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC(=O)NC3=CC(=CC=C3)OC)C 1 2.781 1 6 0 -13.4944891686508 7855752 CC1=C(C=C(C=C1)NC(=O)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C)C 1 3.77 1 5 -13.33341898329 7855171 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2CCCC2 1 2.389 1 5 -15.7807733090906 7855163 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)N2CCC3=CC=CC=C3C2 1 2.851 1 5 -17.7906538700015 7855158 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)N2CCC3=CC=CC=C32 1 2.844 1 5 -17.8959004083467 7854523 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.826 2 5 0 -11.284824386264 7854334 C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 3.609 4 3 0 -12.5104826903449 7853966 C1CCC(C1)NC(=O)COC(=O)COC2=CC=CC(=C2)C(F)(F)F 1 2.924 1 4 -8.52080277940805 7853846 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)NC2CCCC2)C 1 2.955 1 4 -11.8109847734339 7853842 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C)C 1 3.763 3 4 0 -12.2256689808764 7853822 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)F)C 1 2.6 2 5 0 -13.7903302058563 7853725 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)COC2=CC(=CC(=C2)C)C)OCC 1 4.122 1 6 0 -17.9632213445679 7852958 C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.63 3 4 0 -4.07246729320841 7852937 C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 1.578 2 4 0 -9.50521568947577 7852898 COC1=CC=CC=C1C(=O)COC(=O)/C=C/C2=CC=CC=C2 1 3.392 0 4 -6.94255578871016 7852855 C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=C(N=CC=C2)Cl 1 2.512 2 3 -6.46342315178298 7852850 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)/C=C/C3=CC=CC=C3 1 2.575 1 5 -10.0512899073111 7852431 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)/C=C/C3=CC=CO3 1 1.594 1 6 0 -8.8901380857539 7852003 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 2.29 2 7 0 -10.2096882535304 7851949 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 2.735 2 7 0 -10.1018594343012 7851946 C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 2.752 2 6 0 -9.74581577900041 7851232 CCC(=O)OCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2 1 3.209 0 4 -5.28134089495485 7850180 CCC1=CC=CC2=C1NC=C2C(=O)CN3C(=O)C4(CCCCC4)N(C3=O)C 1 3.671 3 3 -5.98499404212375 7849440 CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)N2CCCC2=O 1 1.002 1 6 0 -20.4559746874437 7848979 CN(CC(=O)OCC(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)F 1 1.502 2 5 0 -16.4672214639587 7847693 C1CC1NC(=O)COC2=CC=CC=C2Br 1 2.111 1 2 -7.36067758002086 7847650 C1CCC(C1)NC(=O)NC(=O)COC2=CC=CC=C2Br 1 2.803 2 3 -7.60622504707728 7847625 C1OC2=C(O1)C=C(C=C2)C(=O)COC3=CC=CC=C3Br 1 3.586 0 4 -5.30896392115203 7847588 C1CCC(=CC1)CCNC(=O)COC2=CC=CC=C2Br 1 3.949 1 2 -11.0303935757874 7847536 CCC1=C(SC(=C1)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)C 1 3.552 2 3 -5.87875857126979 7846111 CC1=C(C=CC(=C1)OCC(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)Cl 1 3.115 2 5 0 -13.7912015116107 7845980 CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NCCN2C(=O)CSC2=O)Cl 1 1.8 2 6 0 -21.4460424655295 7845922 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)COC2=CC(=C(C=C2)Cl)C)C)C 1 3.516 1 6 0 -9.58738089534203 7845725 COC1=CC=CC(=C1OC)/C=C/C(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.597 3 6 0 -4.49301789536846 7845286 CC1=NN=C(N1N)SCC(=O)NC2CCCCCC2 1 1.42 5 1 0 -19.1027470247817 7845119 CC1=NN=C(N1N)SCC(=O)NNC(=O)C2=CC=CC=C2 1 -6.1e-002 6 2 0 -19.1350701250032 7844497 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2(CCCCC2)C#N 1 1.798 2 4 0 -13.2834695537428 7843884 C1CCC(CC1)NC(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.992 2 4 -13.1511543890744 7843862 COC1=CC=C(C=C1)CCOC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.962 1 4 -5.36231599503592 7843845 C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.737 2 5 0 -8.99327789719568 7843825 C1CC(=O)N(C1)C(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 1.379 2 5 0 -15.0260879910592 7843780 CCOC1=CC=C(C=C1)OCCOC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.038 1 5 -8.6939630956184 7843778 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.149 3 4 0 -9.66641596551824 7843771 C1=CC=C(C=C1)OCCOC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.706 1 4 -8.00123558006692 7843769 COC1=CC=C(C=C1)OCCOC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.689 1 5 -8.07124434844182 7843173 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)COC3=CC=C(C=C3)C#N 1 2.278 3 5 0 -9.41496275684907 7842710 C1=CC=C(C=C1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 6.124 3 0 -4.74425628760492 7842498 CC(=O)NC1=CC=CC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O 1 1.469 2 5 0 -10.5336980017044 7842455 CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 1.283 4 5 0 -10.694548081275 7842384 COC1=CC=CC=C1NC(=O)COC(=O)COC2=CC=CC=C2F 1 2.346 1 5 -12.372874100527 7842062 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)COC2=CC=CC=C2F 1 2.738 1 5 -12.2194111797318 7842025 C1=CC=C(C(=C1)OCC(=O)OCC(=O)NCCC2=CC=C(C=C2)F)F 1 2.896 1 4 -12.249628359272 7841962 CC1=CC=CC=C1OCCC(=O)OCC(=O)NCCC2=CC=CC=C2 1 3.219 1 4 -13.0081088819421 7841916 CC1=CC=CC=C1OCCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.741 2 5 0 -9.76048856042036 7841818 CC1=CC=CC=C1OCCC(=O)OCC(=O)NC(=O)C2=CC=CC=C2 1 2.763 1 5 -11.2645578347048 7841794 CC1=CC=CC=C1OCCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N 1 2.003 3 6 0 -17.5115016789951 7841727 CC1=CC=CC=C1OCCC(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.924 2 6 0 -17.69527701399 7841524 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CCOC3=CC=CC=C3 1 3.059 3 4 0 -10.7126510276297 7840791 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)CCC2CCCCC2 1 3.088 2 5 0 -19.6412293200706 7840769 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCC2=CC=C(C=C2)OC 1 2.881 1 5 -13.5130955557854 7840712 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC=C(C=C2)F 1 3.097 1 4 -8.298652667066 7840705 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.659 1 6 0 -11.9670992577931 7840697 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.741 2 5 0 -10.0989068438463 7840664 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.133 2 5 0 -6.96907549124242 7840645 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C 1 2.699 2 5 0 -14.9424001880655 7840591 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC(=O)C2=CC=CC=C2 1 2.763 1 5 -11.4345631211183 7840574 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC(=O)NC2CCCC2 1 2.497 2 5 0 -12.4265830385997 7840553 CC1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)COC(=O)C3=C(C(=CC=C3)C)O 1 2.01 3 6 0 -7.98509450540899 7840486 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32 1 1.903 2 5 0 -15.9745628056978 7840474 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.677 1 6 0 -13.4124004113616 7840332 CC1=CC(=CC=C1)OCCC(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C 1 3.546 3 4 0 -9.12523358533243 7840286 COC1=CC=CC(=C1)CC(=O)OCC(=O)NC2(CCCC2)C#N 1 1.965 2 4 0 -10.2042354662822 7840277 COC1=CC=CC(=C1)CC(=O)OCC(=O)NC2CCCCCC2 1 3.078 1 4 -11.4269513427803 7840249 COC1=CC=CC(=C1)CC(=O)OCC(=O)NC2CCCC2 1 2.165 1 4 -11.0724828286122 7840171 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)CC2=CC(=CC=C2)OC 1 1.811 2 5 0 -13.1272621780526 7840168 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)CC2=CC(=CC=C2)OC 1 2.27 2 5 0 -13.9358691586165 7840072 COC1=CC=CC(=C1)CC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.491 3 7 0 -14.5546337183775 7839571 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NCCC2=CC=CC=C2 1 1.898 2 5 0 -16.4472343417428 7839505 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NCC2=CC=CS2 1 1.317 2 5 0 -19.0722247910061 7838492 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC=C(C=C3)C(F)(F)F 1 4 1 3 -7.8374532721242 7838220 CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NC2=NC3=C(S2)CCCC3 1 3.721 3 3 -19.9892227092694 7837492 CCC1=CC(=C(S1)NC(=O)CN2C(=O)C(=O)N(C2=O)CC(C)C)C(=O)OCC 1 1.961 3 6 0 -18.2125380396828 7837487 CC(C)CN1C(=O)C(=O)N(C1=O)CC(=O)C2=CC3=C(C=C2)OCO3 1 1.545 2 6 0 -11.6303759965112 7837484 CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=O)C(=O)N(C2=O)CC(C)C)C 1 1.431 3 6 0 -20.5356407929907 7837478 CC(C)CN1C(=O)C(=O)N(C1=O)CC(=O)C2=CC3=C(CCCC3)C=C2 1 3.29 2 4 -12.4879057438585 7837314 C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3 1 2.921 4 5 0 -10.6172216353513 7835099 CC1=C(SC=C1)C(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.602 3 4 0 -9.64207338413236 7835096 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CS2)C)OCC 1 3.754 1 5 -20.4661736328472 7834847 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.071 2 7 0 -13.2756401281999 7834708 C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.939 3 5 0 -11.0015712123985 7834124 C1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])C(F)(F)F 1 1.933 2 4 0 -10.8572751637185 7834041 CC1=CC=CC=C1NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-] 1 0.813 2 4 0 -15.1429003015123 7832260 C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=NN4O 1 1.034 3 1 0 1.04151441784564 7832117 C1C2CC3CC1CC(C2)(C3)N4N=C(N=N4)C5=CC(=CC=C5)[N+](=O)[O-] 1 3.542 5 2 0 0.957919472475976 7831486 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)[C@H](C)NC(=O)C2=CC=CO2 1 1.792 3 4 0 -13.8088678527672 7830051 CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3OC(=O)C(C)(C)C)C 1 6.815 0 2 -8.09761400074671 7828176 CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCCC3=CC=CC=C32 1 2.318 2 5 0 -18.0094234487899 7828090 CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC 1 2.542 1 7 0 -14.1450819764863 7825576 C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=COCCO2 1 0.317 2 5 0 -12.5747883780776 7825547 CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=COCCO2 1 0.597 2 6 0 -9.97796433031147 7825476 CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)COC(=O)C2=COCCO2)C 1 0.754 2 6 0 -17.6884926943261 7824863 CN1C(=C(C=N1)Cl)C(=O)N(C)C23CC4CC(C2)CC(C4)C3 1 2.992 3 1 -2.50640551843904 7824740 CC(C)[C@@H](C(=O)OCC(=O)NC(=O)C1=CC=CN1C)NC(=O)C2=CC=C(C=C2)F 1 2.377 3 5 0 -20.1133743034263 7824256 CCN1C(=O)C(=O)N(C1=O)CC(=O)C2=C(N(C(=C2)C)C3CC3)C 1 1.014 3 4 0 -10.8937380123185 7824070 CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CN2C(=O)C(=O)N(C2=O)CC 1 2.113 3 5 0 -6.99111600656541 7824005 CCN1C(=O)C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2OC(F)F 1 1.12 3 5 0 -10.0582603954646 7822115 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F 1 1.803 3 5 0 -10.5407511760636 7822112 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.065 3 7 0 -16.9275963537152 7821999 CC1=CC(=CC(=C1COC(=O)CN2C(=O)C3(CCCC3)NC2=O)C)C(C)(C)C 1 4.18 2 4 -3.60570270200988 7821993 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCC3=CC(=C(C=C3)Cl)Cl 1 3.136 2 4 -3.84851853702252 7821992 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCC3=C(C=C(C=C3)Cl)Cl 1 3.136 2 4 -2.62584609068942 7821986 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCC3=CC=C(C=C3)Br 1 2.556 2 4 -5.13579208516252 7821979 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCC3=CC=CC=C3F 1 2.013 2 4 -6.05982960301714 7821975 CC1=CC=CC=C1COC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.294 2 4 -6.50124651058265 7821800 COC1=C(C=C(C=C1)COC(=O)CN2C(=O)C3(CCCC3)NC2=O)F 1 1.997 2 5 0 -6.1687679989887 7821744 CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.88 2 6 0 -10.61011530723 7821638 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCCOC3=CC=C(C=C3)Br 1 2.605 2 5 0 -6.34592925063293 7821544 CCOC1=CC=C(C=C1)OCCOC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.189 2 6 0 -7.8922297236386 7821530 CC1=CC=C(C=C1)COC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.294 2 4 -5.5011310306479 7821520 COC1=CC=CC=C1C(=O)COC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.464 2 6 0 -10.8039891127159 7821459 COC1=CC=C(C=C1)OCCOC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.84 2 6 0 -7.26951097646202 7821458 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCCOC3=C(C=C(C=C3)Cl)Cl 1 3.185 2 5 0 -5.04136108628954 7821456 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCCOC3=CC(=CC=C3)Br 1 2.605 2 5 0 -5.96846009821494 7821454 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCCOC3=CC=C(C=C3)F 1 2.062 2 5 0 -5.99939117065306 7821450 CC1=CC=C(C=C1)OCCOC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.342 2 5 0 -6.71126819611831 7821447 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCCOC3=CC=C(C=C3)Cl 1 2.521 2 5 0 -4.8892695055315 7821446 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCCOC3=CC=CC=C3Cl 1 2.521 2 5 0 -7.02984416642432 7821432 CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.88 2 5 0 -7.81930386344297 7821053 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSC2=CC=CC=C2)N 1 0.804 4 4 0 -11.6665438733694 7819637 C1=CC=C(C=C1)CN2C(=O)C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)OC(F)F 1 2.355 3 5 0 -6.20271841204475 7818754 CC1=CC(=C(N1C2CC2)C)C(=O)COC3=CC=C(C=C3)C#N 1 3.028 2 2 -7.94223495769469 7818396 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/N=C/3\C(=NC4=CC=CC=C43)C 1 1.891 5 1 0 -13.6808552375556 7817335 CC(C)[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CC(=C4)OC)OC 1 3.535 2 4 -20.9937511525308 7816020 C1CN=C2NN=C(N2C1)SCC(=O)C3=CC=C(C=C3)Cl 1 2.678 4 1 -12.0109316569882 7815987 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2C)C3=CC=CO3 1 1.578 5 3 0 -19.1156457615016 7815905 COC1=CC=CC=C1C(=O)NCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC 1 2.122 3 5 0 -19.4451411589913 7815737 COCCN1C(=NN=C1SCC(=O)NC2CC2)CC3=CC=CC=C3 1 1.861 4 2 0 -25.0641243738256 7815577 COCCN1C(=NN=C1SCC(=O)N2CCCC2=O)CC3=CC=CC=C3 1 1.617 4 3 0 -25.3692828753544 7814755 CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2F)NC(=O)C3=CC=C(C=C3)OC 1 3.449 3 3 -13.8293745807079 7814464 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=CC=CO2 1 2.989 1 5 -6.16086886176255 7814111 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)C3=CC=CO3 1 1.557 3 5 0 -5.33802801900035 7814068 C1=COC(=C1)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC=CO2 1 9.9e-002 2 8 0 -11.2170969341355 7813185 CC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC2=C(C=CC(=C2)C(=O)C)OC 1 2.931 1 5 -14.7885834286422 7812973 C1=CC=C\2C(=C1)C=C(C(=O)/C2=N\NC3=CN=CC=C3)C(=O)O 1 2.047 3 3 -7.51157416851233 7812970 CC\1=NN(C(=O)/C1=N/NC2=CN=CC=C2)C3=CC=C(C=C3)Cl 1 2.337 5 1 -3.46527584058457 7811767 COC1=CC=CC=C1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.883 2 6 0 -22.6930107666728 7810777 COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3)OC)OC 1 2.113 3 7 0 -11.2985691418305 7810776 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CSC(=N3)C 1 2.361 4 3 0 -20.2352456894902 7810752 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CSC(=N3)C)C 1 3.001 4 2 -22.0066940199509 7810695 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CSC(=N3)C 1 2.514 4 2 -19.2443529229719 7810685 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(O2)CC3=CSC(=N3)C 1 3.001 4 2 -21.4638800042525 7810650 CC1=NC(=CS1)CC2=NN=C(O2)SCC(=O)N(C)C3=CC=CC=C3 1 2.234 4 2 -19.2067008038773 7810467 CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(O2)CC3=CSC(=N3)C)C 1 3.457 4 2 -21.9928693732012 7810463 CC1=NC(=CS1)CC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3C(=O)C 1 1.768 4 3 0 -24.8074550478635 7809342 CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 4.816 2 2 -18.1552306370536 7809285 C1=CC=C(C=C1)C(=O)NNC(=O)CNC(=O)C2=CC=C(O2)Br 1 0.894 3 4 0 -15.1831326522549 7809250 CCC1=C(SC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3)C 1 3.166 2 2 -6.29177764534461 7809225 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC3 1 1.2 2 3 0 -16.1931899275963 7809214 CC1=CC=CC(=C1)C(=O)NCC(=O)N2CCC2 1 0.67 2 2 0 -10.3666763793391 7809163 C1=CC=C(C=C1)CC(=O)NCC(=O)NCC2=CC=CS2 1 1.456 2 2 0 -16.9453140291909 7809159 CCC1=C(SC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)C 1 3.841 2 3 -16.5923592157968 7808964 CC1=CC(=C(O1)C)C(=O)NNC(=O)CC2=CC(=C(C=C2)OC)OC 1 1.268 2 5 0 -15.2702379076669 7808701 CC1=CC=C(C=C1)OCCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.523 1 3 -2.29891773202589 7808572 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.745 3 5 0 -17.3938952481268 7808490 C1=CC(=CC(=C1)Br)/C=C/C(=O)OCC(=O)NCC2=CC=CO2 1 2.726 1 4 -9.19893905384454 7808320 COC1=CC=C(C=C1)CCOC(=O)C2=CC=C(C=C2)NC(=O)CC#N 1 2.753 2 4 -11.9555569040119 7808192 C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)NC(=O)CC#N 1 3.002 2 4 -12.8009912629516 7808183 C1=CC=C(C=C1)OC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 4.009 2 4 -11.3149373136036 7808153 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CNC(=O)C2=CC=CS2 1 2.201 3 6 0 -16.7214174915862 7807968 CCC1=CC=CC(=C1NC(=O)COC(=O)CNC(=O)C2=CC=CS2)C 1 2.763 2 4 -17.9357414458396 7807325 C=CCN1C(=O)C(=O)N(C1=O)CC(=O)C2=CC3=C(CCCC3)C=C2 1 2.715 2 4 -14.9032087040023 7805189 CC(C)NC(=O)COC(=O)C1=CC=CC=C1CSC2=NCCS2 1 3.084 2 3 -25.4994225945274 7802676 CCC1=NN=C(S1)NC(=O)C2=NC=CC(=C2)Cl 1 1.958 4 1 0 -12.2105520065043 7802625 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=NC=CC(=C3)Cl 1 2.325 2 3 -7.0172787130615 7802221 COC1=C(C=C(C=C1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N)F 1 2.166 2 5 0 -16.1169922407726 7802220 CC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N 1 2.512 2 5 0 -15.8963990891421 7802218 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCCOC3=CC=CC=C3)C(=O)N 1 2.026 2 5 0 -16.3846331011109 7802217 CC1=CC=C(C=C1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N 1 2.463 2 4 -15.7137492187916 7801686 CC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)NC3CC3)C 1 2.734 3 2 -14.1744289691213 7801294 CC1CCN(CC1)C2=NC(=NC(=N2)Cl)NC3=CC=C(C=C3)[N+](=O)[O-] 1 3.361 6 2 0 -4.02872009023533 7800924 COC1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4 1 2.276 3 5 0 -15.3005688208365 7800772 COC1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)C3=CC4=C(C=C3)OCO4 1 3.255 2 5 0 -15.5835071684514 7800079 CC1=CC=CC=C1NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.716 1 4 -17.8269960855042 7800072 COC1=CC=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.214 1 5 -15.2475211753333 7799486 C1=CC(=CC(=C1)F)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.436 1 4 -13.4712976438815 7799310 CC1=CC(=C(C=C1)NC(=O)COC(=O)CC2=CC=CS2)Br 1 3.544 1 3 -11.8694334090896 7799302 CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CC2=CC=CS2)C 1 3.768 1 3 -11.9114791912319 7799160 CC1=C(C(=CC=C1)NC(=O)COC(=O)CC2=CC=CS2)C 1 3.282 1 3 -9.777498602677 7799157 C1=CSC(=C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 4.429 1 4 -7.92391805187699 7799145 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)CC2=CC=CS2 1 1.781 2 4 0 -15.3980426963435 7799127 CC1=CC(=NO1)NC(=O)CSCC(=O)OCC(=O)C2=CC=CC=C2OC 1 1.516 2 6 0 -24.7032290283776 7798198 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=CC=C3O 1 1.657 2 6 0 -19.3108342471786 7796360 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CC2=CC=CC=C2F 1 2.766 1 5 -17.3721945829156 7796275 C1=CC=C(C(=C1)CC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)Cl)F 1 2.483 2 4 -12.1781048523528 7793869 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.614 3 5 0 -3.57862233862345 7792246 C1CN(CCN1CC2=CC=CC=C2)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)F 1 5.078 4 0 6.80931401874022 7791367 C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C(=O)NC(=S)N3)S(=O)(=O)N 1 1.74 3 4 0 -8.70229088311481 7790279 C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC=C3)O 1 4.197 1 4 -11.121447465775 7789735 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 1.361 3 6 0 -21.045452970611 7789618 COC1=CC=CC=C1C(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 2.109 2 5 0 -19.1794979212491 7789614 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 2.223 4 4 0 -13.9019080683604 7789137 CCOC(=O)C1=C(/C(=N/NC2=C(C=C(C=C2)C)C)/N=C1C)C 1 3.184 3 2 -6.03707183567437 7788748 CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N2CCCC2=O 1 3.104 1 4 -15.7335474047966 7787613 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=C(C=CC(=C3)Cl)O 1 3.398 3 4 0 -3.59701480727754 7787525 C1=CC(=CC=C1C(=O)NNC(=O)COC(=O)C2=C(C=CC(=C2)Cl)O)[N+](=O)[O-] 1 1.895 3 7 0 -8.81520953480623 7786274 C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O 1 2.551 2 4 -4.2123917553567 7786271 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)O 1 2.614 1 6 0 -8.0374906416312 7785633 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC(=O)NC3=CC(=CC=C3)Br 1 3.1 1 5 -11.7280517676256 7783431 CCOC(=O)N1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl 1 3.051 3 2 1.62992186851779 7783377 C1CCC(C1)NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2 1 1.207 2 4 0 -17.1685989716073 7783201 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2 1 1.236 2 6 0 -16.9193780642457 7783145 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)CNC(=O)C3=CC=CC=C3 1 1.222 4 5 0 -12.9347473774901 7783069 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)CNC(=O)C3=CC=CC=C3 1 1.821 3 4 0 -14.3313605242674 7782538 CC1=CC=C(C=C1)CN2C=CSC2=NC(=O)COC(=O)C(C)C 1 2.953 2 3 -10.2134787845258 7781863 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 3.139 3 5 0 -4.98338856392306 7780765 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3 1 1.623 3 5 0 -12.5951382570562 7780441 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 3.972 3 4 0 -9.22397887344825 7780091 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CC2=C(C=C(C=C2)Cl)Cl 1 3.227 2 3 -4.75559798070474 7780024 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3 1 2.32 3 4 0 -12.6239503877329 7780022 CC1=CC(=C(C=C1)C)OCCC(=O)NNC(=O)C2=CC=CC=C2 1 2.927 2 3 -9.14347337344959 7779934 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CS3 1 3.016 2 3 -14.3633920998626 7779746 CC(C)NC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2 1 0.904 4 4 0 -27.3635363531886 7779737 COC1=CC=C(C=C1)OCCSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.954 2 4 -15.654731858551 7779734 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCCOC3=CC=C(C=C3)F 1 3.176 2 3 -14.3846120527421 7779721 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCCOC3=CC=C(C=C3)Cl 1 3.634 2 3 -13.2744903876205 7779719 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCCOC3=CC=CC=C3Cl 1 3.634 2 3 -15.4150650485133 7779669 CC1=C(C=C(C=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)F 1 2.666 3 3 -19.8436095134785 7779629 CC1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.408 2 2 -16.1497385906569 7779529 C1CN(CCC1C(=O)NNC(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3 1 1.871 4 3 0 -7.59549790731757 7779508 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC(=CC=C3)Cl 1 3.586 2 2 -14.3905169727834 7779506 CC(C)(C)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2 1 2.466 2 3 -21.8587368543232 7779499 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3 1 2.921 2 2 -16.9645534954365 7779497 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)Cl 1 3.586 2 2 -14.3277399000701 7779491 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3F 1 3.127 2 2 -18.016500566894 7779489 C1=CC=C(C(=C1)C(=O)NNC(=O)CC2=C(C=CC=C2Cl)F)Cl 1 3.44 2 2 -12.3494224676273 7779314 C1CCCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3F 1 3.31 2 3 -8.79922868500992 7778881 C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C#N 1 3.713 3 2 -19.1299462544957 7778681 C1COC2=C(O1)C=CC(=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N 1 2.266 5 4 0 -9.16019009721055 7776701 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=CC=N3 1 1.009 2 5 0 -12.6559605845996 7776477 C1=CC=NC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2Cl)S(=O)(=O)N)Cl 1 1.633 3 5 0 -13.3048614076809 7776315 CCC1=CC(=C(S1)NC(=O)COC(=O)C2=CC=CC=N2)C(=O)OCC 1 2.402 2 5 0 -16.3337467486174 7776273 COC1=CC=CC(=C1)CNC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 2.754 1 7 0 -18.0209366366224 7776268 C1=CC=NC(=C1)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 0.388 3 4 0 -13.7636890866992 7776253 CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=CC=CC=N2)C 1 1.873 2 5 0 -18.9003409216345 7776186 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=CC=N3)C 1 1.785 3 5 0 -19.9901770541056 7776181 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)C2=CC=CC=N2 1 1.782 3 6 0 -22.103793715769 7775323 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)C3=CC=CC=C3Br 1 2.91 3 4 0 -6.23602849643746 7774962 CCOC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N(C)C2CCCCC2 1 2.571 3 5 0 -12.8463470151609 7774959 CNC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N(C)C2CCCCC2 1 1.575 4 4 0 -13.1801755861951 7774956 CCNC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N(C)C2CCCCC2 1 1.924 4 4 0 -14.1095592038924 7774952 CC(C)CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N(C)C2CCCCC2 1 2.987 3 3 -16.3674788958613 7774951 CC(C)(C)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N(C)C2CCCCC2 1 2.726 3 3 -17.3435566997928 7774872 CC(C)(C)C1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3 1 3.548 2 3 -15.8842556771634 7774868 CCC(CC)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCOCC2 1 1.398 3 4 0 -27.1151282931989 7774857 CC1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.634 2 3 -18.4623898262748 7774835 C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N 1 -0.582 3 4 0 -22.3522584606321 7771999 COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC 1 1.957 2 5 0 -15.1085163194138 7770827 CC1=CSC(=N1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C 1 2.959 2 3 4.93757950414302 7770823 CC1=CSC(=N1)NC(=O)C2=C(C3=CC=CC=C3O2)C 1 2.975 2 2 1.70190573993099 7770356 C1=CC(=C(C=C1F)NC(=O)CC2=CSC=C2)F 1 2.722 1 1 -6.34249125437136 7770013 COC1=C(C=C(C=C1)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3)OC 1 4.135 1 3 -4.31806951143154 7768900 COC1=CC=C(C=C1)CCNC(=O)COC2=CC=CC(=C2)N3C=NN=N3 1 1.648 5 3 0 -20.3956115420469 7768794 C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.603 1 7 0 -15.3134768070383 7768705 CCOC1=C(C=C(C=C1)CCNC(=O)COC2=CC=CC(=C2)N3C=NN=N3)OCC 1 2.329 5 4 0 -25.4948539341367 7768645 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.474 3 5 0 -10.1684541750816 7768484 COC1=CC=CC(=C1)CNC(=O)COC2=CC=CC(=C2)N3C=NN=N3 1 1.327 5 3 0 -21.730269258601 7768385 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC=CC=C43 1 2.599 3 2 -14.1266993351476 7767931 C1CCN(CC1)C(=O)C(=O)NNC(=O)C2=CC(=CC=C2)Br 1 1.432 3 3 0 -10.3409637640602 7767823 CC1=CC=CC=C1OCC(=O)OCC(=O)NCC2=CC=CO2 1 1.831 1 5 0 -14.9490245329012 7767845 CC1=CC=CC=C1OCC(=O)OCC(=O)NCCC2=CC=CC=C2 1 2.971 1 4 -13.0898180217602 7767831 CC1=CC=CC=C1OCC(=O)OCC(=O)N2CCCC3=CC=CC=C32 1 3.38 1 4 -12.1648900171285 7767804 CC1=CC=CC=C1OCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl 1 2.833 1 6 0 -14.0502398557739 7767732 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)COC2=CC=CC=C2C)OCC 1 3.636 1 6 0 -17.3236723878031 7767186 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)/C=C/C3=CC=C(C=C3)F 1 2.835 3 4 0 -2.89561498861056 7785483 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC3=C(C=C(C=C3)Br)F 1 4.252 0 4 -4.51050638987534 7785128 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CSC2=NC=NN2 1 0.913 5 3 0 -21.0320021444017 7785005 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC=NN2)N 1 0.422 6 3 0 -17.6653673271825 7784996 CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=NN2)OCC 1 2.302 4 3 0 -21.3253152937039 7784961 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=NN3 1 1.009 5 3 0 -26.6858592307921 7784936 C1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NC=NN2 1 0.566 5 2 0 -15.9857009979456 7765542 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)CC2=CSC=C2 1 1.621 2 5 0 -19.3010227195627 7765437 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.795 4 2 -3.60678086456133 7784470 CN1C2=C(C(=O)NC1=S)N=CC(=O)N2 1 -7.2e-002 4 2 0 -4.61192181320011 7764679 C1=CC(=CC(=C1)C(F)(F)F)/C=C/C(=O)OCC(=O)NCC2=CC=CO2 1 2.92 1 4 -7.00913685112235 7764194 C1=CC(=CC=C1C2=NN=C(O2)COC(=O)CCC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-] 1 2.816 3 6 0 -10.9346041791845 7763771 CC(=O)C1=CC=C(C=C1)OCC(=O)NC(=O)NC2CCCCC2 1 2.251 2 4 -11.8508823410121 7763694 C1CCC(CC1)(C#N)NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.287 3 5 0 -11.7317891752134 7763635 COC1=CC(=C(C=C1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O)OC 1 1.792 1 7 0 -8.98600818812058 7761870 C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.786 3 4 0 -16.0366257873048 7761836 C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.576 2 5 0 -16.4859513622213 7761661 CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N 1 1.696 5 4 0 -20.5940285782057 7761200 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC4=C(C=C3)OCCO4 1 2.306 2 5 0 -23.5989334200112 7761073 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCC3 1 2.908 2 4 -15.029353057504 7760876 CNC1=C(C=C(C=C1)/C=C/2\COC3=CC=CC=C3C2=O)[N+](=O)[O-] 1 3.102 2 4 -2.26494247100345 7760837 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)F)F 1 4.209 1 3 -7.8007487875585 7760488 CC1=NC=C(N=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N 1 -0.156 5 5 0 -22.4593373501249 7760460 CC1=NC=C(N=C1)C(=O)OCC2=C(C=C(C=C2)Br)F 1 2.632 2 2 -4.96564547350622 7760211 C1=CC(=CC=C1C(=O)NNC(=O)CSC2=NN=C(S2)N)Cl 1 1.198 5 2 0 -13.9050478601392 7760208 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)CSC3=NN=C(S3)N 1 1.117 6 2 0 -10.3917352035367 7760156 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CC=C(C=C3)F 1 2.433 2 3 -17.075154279457 7760137 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)OC(F)F 1 2.998 2 4 -17.3815590458319 7760126 C1=CC(=C(N=C1)Cl)NC(=O)CSC2=NN=C(S2)N 1 1 5 1 0 -13.6230177683028 7760103 CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)CSC2=NN=C(S2)N)C 1 1.795 5 2 0 -20.1694076579139 7760101 C1=CC(=CC=C1OCCCSC2=NN=C(S2)N)F 1 2.54 3 1 -4.49446983377809 7760077 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC(=C3)C#N 1 2.071 3 3 -20.5330851197708 7760005 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.791 3 5 0 -17.5224684880114 7759992 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)Br 1 3.177 2 3 -15.4599013597118 7759990 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Br 1 3.177 2 3 -15.2494228115278 7759881 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCC3 1 2.198 2 3 -12.7594382102531 7759868 CC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)[N+](=O)[O-] 1 2.891 3 5 0 -11.2111393556159 7759846 CC1=CC(=C(O1)C)C(=O)NNC(=O)C2=CC(=CC=C2)N(C)C 1 1.428 3 3 0 -11.8434193098216 7759461 COC1=C(C=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)F 1 3.567 2 3 -17.5741741581727 7759445 CCCNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2 1 1.726 3 3 0 -27.6113528690026 7759435 CC(C)N(C(C)C)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2 1 2.512 3 3 -23.0990055294768 7759432 CCC(CC)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2 1 2.627 3 3 -25.1569455717492 7759411 CC1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.864 2 2 -16.504207104825 7759348 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2CCC2 1 1.42 4 3 0 -8.80545231700891 7759347 C1CCC(CC1)NC(=O)COC(=O)CC2=CC=C(C=C2)F 1 2.843 1 3 -10.6894676264798 7759324 C1=CC=C(C=C1)CCNC(=O)COC(=O)CC2=CC=C(C=C2)F 1 2.89 1 3 -11.9808564427878 7759319 COC(=O)C1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.233 2 4 -20.4966101118034 7759315 C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N 1 0.648 3 3 0 -20.3940757391824 7759290 C1CCC(C1)NC(=O)COC(=O)CC2=CC=C(C=C2)F 1 2.387 1 3 -10.3349991123117 7759106 C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CC3=CC=C(C=C3)F 1 2.588 1 4 -6.19037842918391 7759086 C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)CC2=CC=C(C=C2)F 1 2.433 1 4 -10.102132842054 7759082 C1CCC(C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.425 2 4 0 -14.5980715169401 7759053 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)/C=C/C3=CC=CO3 1 1.282 2 5 0 -19.9083537201833 7759022 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)CC2=CC=C(C=C2)F)OCC 1 3.555 1 5 -17.048916282968 7759008 C1CCC(CC1)NC(=O)NC(=O)COC(=O)CC2=CC=C(C=C2)F 1 2.623 2 4 -11.4486212737034 7758754 CC(C)(C)NC(=O)C(=O)NNC(=O)C12CC3CC(C1)CC(C3)C2 1 1.383 3 3 0 -12.0177351394196 7758295 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3F 1 3.317 2 3 -22.7061915038907 7758173 C1=CC=C(C(=C1)CNC(=O)CCNC(=O)C2=CC=C(C=C2)Br)F 1 2.883 2 2 -17.0478279909125 7756365 CCC1=CC=CC2=C1NC=C2C(=O)CN3C(=O)C(=O)N(C3=O)C4CCCC4 1 3.223 3 4 0 -7.48063895433792 7755252 C1CC1NC(=O)CSC2=NC3=CC=CC=C3C=C2 1 2.646 2 1 -9.46088703192257 7754917 C1CC(=O)N(C1)C(=O)CSC2=NC3=CC=CC=C3C=C2 1 2.402 2 2 -9.76604553345137 7754453 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C 1 2.979 2 5 0 -10.167028308886 7753325 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC(=CC=C3)N4C=NN=N4 1 1.648 6 3 0 -19.4751004248889 7753120 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CC=N3)C 1 2.582 3 3 -19.5742091748725 7753067 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CC3=CC(=CC=C3)OC 1 2.582 2 5 0 -6.3188284109758 7752519 CN=C1N(C(=O)/C(=C/C2=CC(=C(C=C2)O)OC)/S1)C 1 2.15 2 3 -2.78363072060298 7752415 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC=NN3 1 1.552 5 2 0 -9.8529283099984 7751601 COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC2CCCC2 1 2.884 1 5 -13.6383073894733 7751189 CC1=CC(=C(C=C1NC(=O)CC2=CSC=C2)OC)OC 1 2.764 1 3 -11.6483151139135 7750974 CC1=CC(=C(C=C1NC(=O)COC2=CC3=C(CCC3)C=C2)OC)OC 1 3.96 1 4 -11.4592730048046 7750779 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC=CS3)C 1 4.881 1 4 -13.7091186184172 7750742 CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C3=C(ON=C3C)C 1 3.413 3 2 -5.05209298891728 7750457 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3)C 1 3.881 2 4 -8.44506169622888 7750278 CC1=C(OC2=CC=CC=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC 1 2.893 2 5 0 -10.1970971216488 7750246 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)CC2=CC=C(C=C2)Cl)OCC 1 4.013 1 5 -15.9387946178465 7743649 CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3(CCCCC3)C#N 1 4.787 3 1 -7.02938758028263 7743611 CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)N3CCCC3=O 1 3.374 2 2 -9.28030060080886 7742757 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)CC3=CC=CS3 1 3.238 4 1 -17.1957118095515 7742698 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)CC3=CC=CS3 1 2.035 5 2 0 -19.9113012679204 7742692 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)CC3=CC=CS3 1 3.016 4 2 -19.4725754100931 7742629 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CC3=CC=CS3 1 3.016 4 2 -16.2564326451572 7742191 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3CCC3 1 1.675 4 3 0 -6.66088383585058 7742182 COC1=C(C=C(C=C1)NC(=O)CC2=CSC=C2)S(=O)(=O)N3CCOCC3 1 1.099 2 5 0 -22.0951666218243 7742156 CCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 3.574 2 4 -17.5718148308886 7742153 CC1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3)C 1 3.604 2 4 -18.1626769798112 7742116 CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 3.784 1 4 -6.38718881999409 7741908 CC\1=NN(C(=N)/C1=N/NC2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4 1 3.787 5 0 -1.51715183110802 7741752 CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 4.691 1 4 -0.923396625662025 7741427 C1=CC(=CC=C1C#N)OC(=O)CC2=CSC=C2 1 2.837 1 2 -9.29614125083955 7741138 CC1=CC(=C(N1CC2=CC=CC=C2)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C 1 3.605 5 1 -17.6579247452305 7740931 CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CN=CC=C4 1 1.518 3 3 0 -4.75524651290707 7740866 CS(=O)(=O)NC1=CC=CC=C1C(=O)OCC(=O)NC2CC2 1 0.145 2 5 0 -18.8867260899748 7739310 CC1=CC(=CC=C1)NC(=S)N2CCCC2 1 3.995 2 0 -8.3776225074397 7738792 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC=CC=C2C(=O)N(C)C3=CC=CC=C3 1 3.518 2 4 -10.9752821501062 7738355 CCCCN1C(=O)C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2C(=O)OCC 1 1.499 3 6 0 -16.4801463408275 7738312 CCCCN1C(=O)C(=O)N(C1=O)CC(=O)NC2=C(C=C(S2)CC)C(=O)OCC 1 2.098 3 6 0 -16.3292330440905 7738310 CCCCN1C(=O)C(=O)N(C1=O)CC(=O)NC2=C(C(=C(S2)C)CC)C(=O)OCC 1 2.373 3 6 0 -15.2772309774975 7738299 CCCCN1C(=O)C(=O)N(C1=O)CC(=O)C2=CC3=C(C=C2)OCO3 1 1.682 2 6 0 -9.9653703041261 7738294 CCCCN1C(=O)C(=O)N(C1=O)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC 1 1.568 3 6 0 -18.8706351006056 7738226 CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC3=O 1 2.199 3 4 0 -24.5244738526581 7738112 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.879 2 4 -11.8838874233668 7737666 CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=NO2)C 1 2.02 3 4 0 -13.3380154278616 7734584 C1=CC=C2C=C(C=CC2=C1)N3C(=O)[C@H]4[C@@H](C3=O)ON=C4C5=CN=CC=C5 1 1.94 3 3 0 -2.87192047738044 7733308 CC1=C(C(=NO1)C)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC 1 2.424 3 3 -5.57218582746588 7733249 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)/C=C/C3=CC=CC=C3 1 1.87 2 5 0 -20.8957937480006 7733204 CCOC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)F)F 1 3.358 1 2 -3.21768394287815 7733150 C1CN(CCC1C(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F 1 2.911 2 2 -2.37652596641353 7733132 COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)F 1 2.675 1 3 -5.96872713231753 7732868 C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)F)F 1 3.025 1 1 -2.19514872039934 7732801 C1=CC(=CC=C1C(=O)NNC(=O)CC2=CSC=C2)F 1 1.773 2 2 0 -9.18049212797628 7732767 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 3.141 2 4 5.87990251662093 7732742 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCCC3=CC=CC=C3)C 1 3.418 1 3 -12.8854830125108 7732724 C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 3.619 1 4 -6.64549916158152 7732723 CC(=O)C1=CC=C(C=C1)OCCCC(=O)NCCC2=CC=CC=C2 1 3.087 1 3 -15.7332688041307 7732698 C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 3.573 1 4 -5.87119660271622 7732285 CC(=O)C1=CC=C(C=C1)OCCCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.545 1 5 -14.7293018137971 7731096 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O 1 3.059 1 6 0 -6.59793824425685 7729615 C1CN(CCN1C(=O)C2=CC3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(S4)Cl 1 2.668 2 4 -6.90171321538393 7729581 CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.554 2 4 -16.7475485617618 7729548 C1CC1NC(=O)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3F 1 2.353 2 3 -12.8773457058329 7729535 COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.131 2 4 -13.0125955403269 7728616 CC1=CC(=CC=C1)NC(=O)C(=O)NNC(=O)COC2=CC=CC(=C2)OC 1 1.443 3 5 0 -10.0303929082569 7727968 CC1=CC(=C(C=C1)NC(=O)COC(=O)CN2CCCCCC2=O)C 1 2.063 2 4 -21.4302173696326 7727275 CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl 1 3.389 2 4 -3.47586267189237 7727121 COC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3)OC 1 2.129 3 6 0 -9.10638245070494 7726776 CC1=NOC(=C1)C(=O)NC2=CC=C(C=C2)OC 1 1.626 2 3 0 -5.6586572547448 7726312 CC1=C(C=CC=C1Cl)NC(=O)C(=O)NNC(=O)C2=CC=CC=C2F 1 2.494 3 3 -9.48460662579689 7725473 CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)C(=O)NC2=CC=CC=C2 1 2.207 3 4 0 -9.06295389233704 7724968 C1=COC(=C1)CNC(=O)COC(=O)CC2=CC(=C(C=C2)Cl)Cl 1 2.874 1 4 -12.4778601426096 7724021 COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CN=CC=C4 1 1.015 3 4 0 -5.16821272205121 7723434 CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CN=CC=C4)C 1 2.004 3 3 -4.80881651569762 7723347 CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)N4CCOCC4)/C(=O)NC2=O 1 2.983 3 4 0 -3.78154554245525 7722886 CC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3N2 1 2.646 2 4 -9.41122749156528 7722630 CC1=CC(=C(N1CC2=CC=CC=C2)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C(C)C 1 4.734 5 1 -21.5233170054365 7722099 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)N3CCCCC3 1 3.068 2 5 0 -22.0926554198437 7720817 C1=CC=C2C(=C1)C3=C(O2)C=C4N3C=NNC4=S 1 3.207 3 1 -1.83021188554676 7720011 C1=CC(=CC=C1NNC2=C3C=C(C=CC3=NC2=O)F)[N+](=O)[O-] 1 1.685 4 3 0 -3.20162694346049 7719905 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 1.646 4 3 0 -13.3647961102073 7719804 COC1=CC=C(C=C1)CC(=O)NCC(=O)NC2=CC=CC=C2Br 1 2.441 2 3 -12.6004816837576 7719802 C1=CC=C(C=C1)CC(=O)NCC(=O)NC2=CC=CC=C2Br 1 2.457 2 2 -13.1707433764055 7719557 C1CC(=O)N(N=C1C(=O)NNC(=O)C2=CC=CC=C2F)C3=CC=CC=C3 1 1.551 4 3 0 -15.7913427896359 7719360 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)COC2=CC=CC=C2CC3=CC=CC=C3 1 3.673 2 4 -11.2517707647991 7719285 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CCC2=CC=CC=C2 1 2.354 2 3 -12.7776950067003 7719006 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)COC2=CC=CC=C2CC3=CC=CC=C3 1 3.673 2 4 -10.9924595966362 7718974 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CC2=CC=CC3=CC=CC=C32 1 2.807 2 3 -6.79754962807141 7718450 CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 1.718 3 7 0 -8.12755097596568 7718323 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CC3=C(C=CC=C3Cl)F)C 1 3.034 2 4 -15.6661257792856 7718248 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)CC3=C(C=CC=C3Cl)F 1 3.067 3 4 0 -7.86427192643084 7717685 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2CCCC2 1 2.531 1 5 -13.901958527931 7717410 C1CC(C1)C(=O)OCC(=O)NC2=CC(=CC=C2)Cl 1 2.535 1 3 -3.97020765390708 7717405 C1CC(C1)C(=O)OCC(=O)NCC2=CC=CC=C2 1 1.878 1 3 0 -11.4782148983026 7717397 C1CC(C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C#N 1 1.75 2 3 0 -8.61954014106876 7717326 C1CC(C1)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2 1 1.743 1 4 0 -9.14311033919957 7717310 CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2CCC2 1 2.986 1 4 -15.5161295458533 7717294 C1CC(C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 2.784 1 3 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C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)N3C=NN=N3)Br 1 2.249 5 1 -15.5167603286073 7711809 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC(=O)N(C(=O)N2C)C)C 1 1.097 3 4 0 -10.2379011577171 7711817 CC1=C(SC=C1)C(=O)NC2=CC=CC(=C2)N3C=NN=N3 1 1.941 5 1 0 -17.8603940612244 7711843 COC1=C(C2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)OC 1 3.336 3 3 -0.572036489946243 7711821 C[C@@H](C1=NN=C2N1C=CC=C2)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl 1 3.523 4 2 -15.7765943231568 7711792 CC1=C(C=CC(=C1)Cl)OCCCC(=O)NCCC2=NN=C3N2C=CC=C3 1 3.108 4 2 -14.4447601967032 7711772 COC1=C(C2=C(C=C1)NC(=C2)C(=O)N3CCNCC3)OC 1 1.217 3 3 0 -8.69569814478329 7711767 CC1=C(C=CC(=C1)OCCCC(=O)NC2=CC=CC(=C2)N3C=NN=N3)Cl 1 3.056 5 2 0 -17.8291781078685 7711628 C[C@@H](C(=O)NC1=CC(=CC=C1)OC)NC(=O)N2CCN3C2=NC4=CC=CC=C43 1 2.338 5 3 0 -9.41626457733756 7711621 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=O)N(C(=O)N2C)C 1 -0.755 4 5 0 -15.1157826254503 7711582 C[C@@H](C(=O)NC1CC1)NC(=O)N2CCN3C2=NC4=CC=CC=C43 1 1.267 5 2 0 -11.4290761898021 7711579 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=CC(=C2)N3C=NN=N3 1 1.468 5 3 0 -18.7601782817905 7711562 COC1=CC=C(C=C1)CNC(=O)CCNC(=O)N2CCN3C2=NC4=CC=CC=C43 1 2.109 5 3 0 -15.7453792696034 7711559 C[C@@H](C(=O)NCC1=CC=C(C=C1)F)NC(=O)N2CCN3C2=NC4=CC=CC=C43 1 2.566 5 2 0 -9.69171205555667 7711531 CC(C)[C@@H](C(=O)NC1CCCCC1)NC(=O)N2CCN3C2=NC4=CC=CC=C43 1 3.479 5 2 0 -15.6864300906156 7711496 CSCC[C@@H](C1=NN=C2N1C=CC=C2)NC(=O)C3=CC=C(O3)Br 1 2.08 4 2 -15.9043810542071 7711398 CC1=CC=C(C=C1)CNC(=O)CCNC(=O)N2CCN3C2=NC4=CC=CC=C43 1 2.611 5 2 0 -15.3324130604592 7711373 C1=COC(=C1)C(=O)NCC2=NN=C3N2C=C(C=C3C(F)(F)F)Cl 1 2.307 4 2 -9.02283696324515 7711326 C1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl)N3C=NN=N3 1 2.83 5 1 -12.1319521473722 7711320 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)N3C=NN=N3 1 1.69 5 2 0 -13.1318288714423 7711296 CC(C)C[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)N2CCN3C2=NC4=CC=CC=C43 1 3.593 5 2 0 -15.3370532481185 7711284 CC(C)C[C@@H](C(=O)NC1CCCCC1)NC(=O)N2CCN3C2=NC4=CC=CC=C43 1 3.867 5 2 0 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CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC(=CC=C3)OC(F)F 1 3.781 3 4 0 -9.51346655789292 7700714 C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F 1 3.503 1 4 -5.67531179452884 7700192 C1=COC(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)F 1 3.011 1 2 -5.76013557894916 7697711 COC1=CC=CC=C1CNC(=O)CC2=CSC=C2 1 2.302 1 2 -13.395570988534 7697585 C1=CC=C(C=C1)CCNC(=O)COC(=O)COC2=CC=CC=C2 1 2.485 1 4 -13.7795277583086 7697488 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)COC3=CC=CC=C3 1 2.893 1 4 -12.7299812886411 7696510 CN(C)C1(CCCCC1)CNC(=O)C2=CC=C(C=C2)Br 1 3.639 2 1 -6.9268524911783 7696319 CC1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)COC(=O)C3=CC=C(C=C3)C 1 2.252 3 5 0 -10.7762063468223 7695818 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCC3 1 2.684 2 3 -13.445388836028 7694329 C1CN(CC2=C1NN=C2C3=CC=CC=C3)C(=O)CC4=CC=CC=C4 1 3.332 3 1 -6.29375358920645 7694192 CC1=C(SC=C1)C(=O)NCCC2=NN=C3N2C=CC=C3 1 1.993 4 1 0 -15.4336505333826 7694189 C1CN(CCN1CC2=CC=CC=C2)C3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N 1 2.583 5 1 -3.60486497621667 7694185 CC1=CC=C(C=C1)C2=NON=C2NC(=O)C3=CC=CO3 1 2.786 3 3 -2.78630616217438 7694172 CC1=CC=C(O1)C(=O)NCCC2=NN=C3N2C=C(C=C3C(F)(F)F)Cl 1 2.701 4 2 -8.44316121410184 7694170 C1CNC2(CCN(CC2)C(=O)C3=CC(=CC=C3)F)C4=C1NC=N4 1 0.859 4 1 0 -4.81148334062684 7694146 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)N3C=NN=N3)C 1 2.663 5 2 0 -10.8819434390736 7694137 CC1=CC=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)OC)NC(=O)C4=CC=CO4 1 4.197 1 5 0.151611383964256 7694107 COC1=CC(=CC(=C1)C(=O)N2CCC3(CC2)C4=C(CCN3)NC=N4)OC 1 0.621 4 3 0 -9.01407235178712 7694076 CC(C)[C@@H](C(=O)NCCC1=CC=CC=C1)NC(=O)N2CCN3C2=NC4=CC=CC=C43 1 3.525 5 2 0 -16.3635490319368 7694069 C1CCN(C1)C(=O)CN2C3=CC=CC=C3C4=C2C(=O)N5CCSC5=N4 1 2.572 4 2 -15.0647001858049 7694056 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(N=C2)Cl)Cl)N3C=NN=N3 1 1.591 6 2 0 -13.2655709203576 7694019 C1=COC(=C1)C(=O)NC2=NON=C2C3=CC=C(C=C3)Cl 1 2.964 3 3 -0.964307471587564 7694012 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCC3=CN=CN3 1 2.353 3 1 -1.71659692678264 7693999 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC3(CC2)C4=C(CCN3)NC=N4 1 2.054 4 1 -3.38580404127979 7693962 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)N3C=NN=N3)OC 1 1.171 5 4 0 -18.7562427622243 7693917 C1=CC(=CC(=C1)NC(=O)C2=C(C=CN=C2)Cl)N3C=NN=N3 1 1.015 6 1 0 -15.372505105336 7693891 CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C3=CC=CC=C3 1 3.626 2 2 -0.688134838391346 7693885 CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C3=CC=C(C=C3)OC 1 3.61 2 3 -0.30545348002614 7693798 C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=CC(=C2)N3C=NN=N3 1 2.165 5 1 -14.1832694165331 7693797 CC1=CC=C(C=C1)C2=NO[C@@](C2)(CC(=O)O)C(=O)NC3=CC4=C(C=C3)OCCO4 1 2.346 2 6 0 -9.18874245724418 7693745 C1CNC2(CCN(CC2)C(=O)C3=CC(=CC=C3)Cl)C4=C1NC=N4 1 1.318 4 1 0 -3.16310300977152 7693732 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)N3C=NN=N3 1 1.188 5 3 0 -13.5447950805865 7693686 C1=CC(=CC(=C1)NC(=O)C2=CC(=NC(=C2)Cl)Cl)N3C=NN=N3 1 2.098 6 1 0 -18.5505734722846 7693685 CCOC1=CC=C(C=C1)C(=O)N2CCC3(CC2)C4=C(CCN3)NC=N4 1 0.986 4 2 0 -7.14312755124326 7693682 CC(C)[C@@H](C(=O)NC1CC1)NC(=O)N2CCN3C2=NC4=CC=CC=C43 1 2.11 5 2 0 -15.8455677566147 7693632 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)N3C=NN=N3)OCC 1 2.166 5 3 0 -22.4646954075762 7693587 CC1=C(C(=CC=C1)C)NC(=O)[C@]2(CC(=NO2)/C=C/C3=CC=CC=C3)CC(=O)O 1 3.505 2 4 -4.87015091519933 7693531 C1CNC2(CCN(CC2)C(=O)C3=CC=C(C=C3)F)C4=C1NC=N4 1 0.859 4 1 0 -5.25206116492585 7693535 C1=CC=C(C=C1)S(=O)(=O)NCC2=NN=C3N2C=C(C=C3C(F)(F)F)Cl 1 2.615 4 2 -6.00083628843034 7693541 COC1=CC=C(C=C1)NC(=O)[C@]2(CC(=NO2)/C=C/C3=CC=CC=C3)CC(=O)O 1 2.516 2 5 0 -3.97400706732652 7693498 CC1CCN(CC1)C(=O)CN2C3=CC=CC=C3C4=C2C(=O)N5CCSC5=N4 1 3.28 4 2 -18.1082783038774 7693490 C1=CC(=CC(=C1)NC(=O)C2=CN=CC=C2)N3C=NN=N3 1 0.35 6 1 0 -18.1731328589964 7693486 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCSC)C2=NN=C3N2C=CC=C3 1 1.559 4 3 0 -22.0615410101088 7693466 CC1=C(SC=C1)C(=O)N[C@@H](C)C2=NN=C3N2C=CC=C3 1 2.229 4 1 -13.6062129819467 7693465 CC(C)C[C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)N2CC(=O)NC3=CC=CC=C32 1 1.042 4 5 0 -24.2250524027618 7693457 C1=CC(=CC(=C1)NC(=O)C2=CC=NC=C2)N3C=NN=N3 1 0.35 6 1 0 -16.9072956589264 7693429 C1CNC2(CCN(CC2)C(=O)C3=CC(=CC=C3)C(F)(F)F)C4=C1NC=N4 1 1.596 4 1 0 -2.48418602444545 7693403 CC1=CC=C(C=C1)C(=O)N2CCC3(CC2)C4=C(CCN3)NC=N4 1 1.14 4 1 0 -5.9639381903911 7693352 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)N3C=NN=N3 1 0.944 5 3 0 -17.7537376438452 7693333 CC1CCN(CC1)C(=O)CN2C3=C(C=C(C=C3)F)C4=C2C(=O)N5CCCSC5=N4 1 3.548 4 2 -19.9764857679036 7693269 C1CN(C2=CC=CC=C21)C(=O)C3=CC4=C(N3)C=CC(=C4)Br 1 4.228 2 1 -3.47428986986383 7693255 C1CSC2=NC3=C(C(=O)N21)N(C4=CC=CC=C43)CC(=O)NC5=CC=CC=C5 1 3.482 4 2 -13.4218003203415 7693249 CC1=CC=C(C=C1)C(=O)NNC(=O)CC2=NN3C(=CC(=NC3=N2)C)C 1 1.47 6 2 0 -14.4939488473375 7693248 C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)OC(F)(F)F)N3C=NN=N3 1 3.621 5 2 0 -13.4011751747305 7693219 C1C(=O)NC2=CC=CC=C2N1C(=O)NCC(=O)N[C@@H](C3=CC=CC=C3)C(=O)O 1 0.218 4 5 0 -23.7292951586171 7693217 CC1=CC=CC2=C1OC(=C(C2=O)C3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CO5 1 3.982 1 6 0 -0.244505890636628 7693197 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCC3(CC2)C4=C(CCN3)NC=N4 1 1.651 4 4 0 -12.7325153307206 7693186 CC1=CC=CC(=C1)C2=C(OC3=C(C2=O)C=CC=C3C)NC(=O)C4=CC=CO4 1 4.7 1 4 3.50911843187733 7693135 CC1=CC=CC2=C1OC(=C(C2=O)C3=CC(=C(C=C3)OC)OC)NC(=O)C4=CC=CO4 1 4.181 1 6 0 -2.87233681535872 7693129 CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=CC(=C2)N3C=NN=N3)C)C 1 3.149 5 2 0 -12.4869169062775 7693123 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=CC=C2)Cl)N3C=NN=N3 1 1.868 5 2 0 -12.6313375669912 7693097 CC(C)[C@@H](C(=O)NC1=CC(=CC=C1)OC)NC(=O)N2CCN3C2=NC4=CC=CC=C43 1 3.181 5 3 0 -14.0718191692464 7693085 COC1=CC=C(C=C1)C(=O)N2CCC3(CC2)C4=C(CCN3)NC=N4 1 0.637 4 2 0 -6.37690439953524 7693058 C1=CC2=NN=C(N2C=C1)CCNC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl 1 3.287 4 2 -16.8710889933173 7693050 CC1=C(C(=CC=C1)OCC(=O)NNC(=O)CC2=NN3C(=CC(=NC3=N2)C)C)C 1 1.791 6 3 0 -12.0097552049661 7693015 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)N3C=NN=N3)C(=O)O 1 1.32 5 4 0 -18.016188306302 7692953 C1CNC2(CCN(CC2)C(=O)CC3=CC=C(C=C3)F)C4=C1NC=N4 1 0.894 4 1 0 -8.20481307126783 7692951 C1CCC(C1)C(=O)NCC2=NN=C3N2C=C(C=C3C(F)(F)F)Cl 1 2.917 4 1 -8.70259796420079 7692936 CC1=CC=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)Cl)NC(=O)C4=CC=CO4 1 4.878 1 4 2.38657628369521 7692935 COC1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 3.207 4 3 0 3.92403760044305 7692920 C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=C(C=C3)F)F 1 3.15 3 3 -16.4318126818774 7692888 CC1=CC=CC(=C1)C2=NOC(=N2)CNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 1.514 4 4 0 -0.656186030735677 7692847 C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=NN=C4N3C=C(C=C4C(F)(F)F)Cl 1 2.68 4 3 0 -11.6431511009611 7692841 C1CNC2(CCN(CC2)C(=O)C3=CC=C(C=C3)Br)C4=C1NC=N4 1 1.402 4 1 0 -5.59859924490572 7692803 CC(=O)C1=CC=C(C=C1)NC(=O)[C@]2(CC(=NO2)/C=C/C3=CC=CC=C3)CC(=O)O 1 2.272 2 5 0 -7.27572338897904 7692801 C1C(=NO[C@@]1(CC(=O)O)C(=O)NC2=CC=C(C=C2)F)/C=C/C3=CC=CC=C3 1 2.738 2 4 -2.84916383271712 7692783 C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)Cl)Cl)N3C=NN=N3 1 2.83 5 1 -13.8507905816362 7692762 C1=CC(=CC=C1CC(=O)NCCC2=CN=CN2)F 1 1.075 3 1 0 -5.99057081688357 7692739 CC1=CC=CC=C1NC(=O)CCCCCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O 1 3.649 3 3 -14.3114829993717 7692637 C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCC(=O)N[C@@H](C4=CC=CC=C4)C(=O)O 1 1.553 3 5 0 -20.0868124309746 7692493 COC1=CC=CC(=C1)NC(=O)CCCCCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O 1 3.146 3 4 0 -11.7320322673483 7692481 COC1=C(C=C2C(=C1)C=C(N2)C(=O)N3CCC4=CC=CC=C4C3)OC 1 3.454 2 3 -8.24525465596295 7692458 CC1=CC(=C(C=C1)C)NC(=O)CCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O 1 2.902 3 3 -12.6005993634756 7692277 CCSC1=NN=C(S1)SCC(=O)NNC(=O)C2=CC=CC=C2F 1 2.376 4 2 -19.807259066244 7692134 CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)OCC3=NN=C(O3)C4=CC=CS4 1 3.16 4 4 0 -18.149698015689 7692130 CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 3.207 4 4 0 -12.7396879337939 7691391 CCC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC2=C(C=CC(=C2)OC)OC)CC 1 1.199 3 7 0 -12.885649527613 7691264 CCC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC(=O)C2=CC=CC=C2OC)CC 1 1.087 3 7 0 -13.2860607033129 7691142 CCC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)C2=CC=CC=C2OC)CC 1 1.835 2 6 0 -11.4201056539509 7691139 CCC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl)CC 1 1.949 4 5 0 -6.38636271509273 7690212 C1CCC(C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F 1 3.557 1 3 -4.53860818290893 7690211 C1CCC(CC1)CNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F 1 4.344 1 3 -6.05777520197949 7690201 C1=COC(=C1)CNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F 1 2.92 1 4 -7.97951824151713 7689079 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2CCCC2 1 2.223 2 3 -7.12383891434078 7689062 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=CC=CC=C2Br 1 2.966 2 3 -11.9437051086037 7688748 C1CCCC(CC1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 3.409 2 2 -15.0261238423094 7688715 COC1=CC=C(C=C1)CCC(=O)NCCC2=CC=C(C=C2)Cl 1 4.081 1 2 -10.3131147627528 7688623 CCSC1=NN=C(S1)NC(=O)CC2=CC(=CC=C2)OC 1 2.539 3 2 -15.2427454223455 7688293 C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3C2=O)F 1 2.651 1 2 -1.71604161854181 7686565 CC1=CC(=C(C(=C1)OC)OCC(=O)NC2=NOC(=C2)C)OC 1 2.042 2 5 0 -17.1580205780805 7683640 CCCC1=C(SC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C 1 4.061 2 4 -4.70016589662532 7681680 CCN1C(=NN=C1SCC(=O)N2CCCC2=O)CC3=CC=CC=C3 1 2.097 4 2 -19.6538839161233 7680978 COC1=CC(=C(C=C1)OCC(=O)NC(=O)C2=CC=CC=C2)[N+](=O)[O-] 1 2.199 2 6 0 -8.96228735343528 7680804 C1=CC(=CC=C1C2=NN=CO2)OCC3=C(C=C(C=C3)Br)F 1 3.65 2 2 5.09097226916813 7680756 CC1=CC=C(C=C1)CNC(=O)CCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O 1 2.422 3 3 -16.0045339960306 7680694 CC1=CC(=C(C=C1)C)NC(=O)CCCCCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O 1 4.135 3 3 -13.3570189100621 7680503 C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.284 1 5 -6.92859612584576 7680295 C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCCCCC(=O)NCCC4=CC=CC=C4 1 3.491 3 3 -17.1526279325434 7680173 CC(C)C1=CC=C(C=C1)NC(=O)CCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O 1 3.123 3 3 -10.5384979831288 7680165 C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCC(=O)NCC4=CC=CC=C4Cl 1 2.601 3 3 -17.5365864235265 7680162 COC1=CC=CC(=C1)CNC(=O)CCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O 1 1.92 3 4 0 -16.523655573305 7680154 C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCC(=O)NC4=CC(=CC=C4)F 1 2.135 3 3 -9.12834624067481 7679972 C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCCCCC(=O)NC4=CC(=CC=C4)F 1 3.368 3 3 -9.88476578726134 7679666 CCCNC(=O)[C@@H]1CCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 1.847 3 4 0 -25.3676663791272 7679662 C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F 1 2.392 2 5 0 -12.862044813347 7679511 CCCC1=CC(=O)OC2=C3CN(COC3=C(C=C12)Cl)CCCO 1 3.304 1 4 -0.461791858979326 7679501 CC1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O 1 3.649 3 3 -11.578377226367 7679210 CC1=CC(=CC=C1)NC(=O)CCCCCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O 1 3.649 3 3 -9.78812589956265 7678844 CC1=CC(=CC(=C1)NC(=O)CCCCCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O)C 1 4.135 3 3 -11.9671412251971 7678818 C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCC(=O)NCCC4=CC=CC=C4 1 2.257 3 3 -16.3962083859569 7678778 COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCC3=CC=CC=C3 1 1.906 2 4 0 -14.7370096054095 7678747 C1CCCN(CC1)C2=CC(=O)N(C2=O)C3=CC=C(C=C3)Cl 1 3.197 2 2 -0.10092932375069 7678591 C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Cl 1 3.949 1 5 -4.61836342329014 7678412 CC1=CC=C(C=C1)CNC(=O)C2=NC3=CC=CC=C3N=C2 1 3 3 1 -8.8121981887816 7678163 C1CCN(C1)C(=O)CNC(=O)CC2=CC=CC=C2 1 0.799 2 2 0 -13.3134194139234 7677997 C1=CC=C(C(=C1)CC(=O)NNC(=O)C2=CC=NC=C2)F 1 0.961 3 2 0 -11.3486414884473 7677980 CC1=NN(C(=C1C(=O)NNC(=O)C2=CC=NC=C2)Cl)C3=CC=CC=C3 1 1.689 5 2 0 -5.88829214029196 7677977 CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)C3=CC=NC=C3 1 1.802 3 3 0 1.11763389029394 7677973 CC1=C(C=C(C=C1)CC(=O)NNC(=O)C2=CC=NC=C2)C 1 1.728 3 2 0 -7.65614746534048 7677970 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NNC(=O)C3=CC=NC=C3 1 1.545 3 3 0 -7.43202367787406 7677965 CC1=C(C=CC(=C1)OCC(=O)NNC(=O)C2=CC=NC=C2)C(C)C 1 2.236 3 3 -10.266184777042 7677963 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NNC(=O)C3=CC=NC=C3 1 2.55 3 3 5.91297270526578 7677905 CC1=C(SC=C1)C(=O)NNC(=O)C2=CC=NC=C2 1 1.16 3 2 0 -7.72972734230585 7677890 COC1=C(C=C2C(=C1)C=C(N2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC 1 3.105 3 5 0 -2.12681977405978 7677858 C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCC(=O)NCC4=CC=CC=C4 1 1.936 3 3 0 -16.9877618978226 7677838 CC1=C(C(=NN1C)C)NS(=O)(=O)C2=CC=CC=C2Cl 1 2.06 3 2 -3.59429617096127 7677801 CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)NCC3=CC=CC=C3OC 1 1.806 3 4 0 -16.1280761155967 7677788 CCSC1=NN=C(S1)NC(=O)CN2C(=O)C3(CCCCC3)N(C2=O)C 1 1.722 5 3 0 -19.7424112929633 7677785 CC1=C(C=CC(=C1)NC(=O)CN2C(=O)C3(CCCCC3)N(C2=O)C)Br 1 3.05 3 3 -8.97355119663515 7677745 C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCCCCC(=O)NC4=CC=CC=C4F 1 3.368 3 3 -13.0016413703931 7677714 CC1=CC=C(O1)C(=O)NCC2=NN=C3N2C=C(C=C3C(F)(F)F)Cl 1 2.452 4 2 -7.82994172290487 7677688 C1CN(CCC12OCCO2)C(=O)C3=CC4=C(N3)C=CC(=C4)Br 1 2.642 2 3 -1.7663666343322 7677683 C1CN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br 1 4.006 2 1 -3.65521209184511 7677661 C1CN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl 1 3.922 2 1 -3.5444188575011 7677656 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC3 1 2.098 2 3 -6.15877313425613 7677651 C1CN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl 1 3.922 2 1 -2.19855234674367 7677545 C1=CC=C2C(=C1)C(=CN2)CC(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 2.619 3 2 -12.6516496183466 7677405 COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CC=N3 1 0.65 3 4 0 -16.8518658542823 7677140 C1=CC(=CN=C1)C(=O)NCC2=NN=C3N2C=C(C=C3C(F)(F)F)Cl 1 1.761 5 1 0 -11.1892353483695 7676900 CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)C3=CC(=CC=C3)OC 1 2.251 2 3 -3.54226353444949 7676839 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32 1 2.649 3 3 -13.584076285089 7676816 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 3.193 3 3 -16.7549862462858 7676753 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=C(OC(=C2)C)C 1 2.041 2 3 -15.5737963714229 7676723 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3 1 4.214 2 3 -14.9126817592174 7676699 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CC2=CNC3=CC=CC=C32 1 2.975 3 2 -14.7802062757617 7675826 CC(C)N1C=NN=C1SCC(=O)NCC(=O)NC2=CC=C(C=C2)F 1 1.111 5 2 0 -19.6223058698617 7675821 CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NN=CN3C(C)C 1 2.771 5 2 0 -16.3658103550105 7675654 CC(C)N1C=NN=C1SCC(=O)NC(=O)C2=CC=CC=C2OC 1 1.701 4 3 0 -16.9387302048006 7675641 CC(C)N1C=NN=C1SCC(=O)NC(=O)C2=CC=CC=C2 1 1.717 4 2 0 -16.3010420321737 7675534 CC(C)N1C=NN=C1SCC(=O)NNC(=O)COC2=CC=C(C=C2)Cl 1 1.602 5 3 0 -14.6762082678789 7675391 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 0.983 3 6 0 -16.0880033568433 7671459 CC1=CC=CC=C1CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2 1 0.131 4 4 0 -14.4728768209696 7671442 CC1=CC=C(C=C1)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2 1 0.131 4 4 0 -13.4256282296304 7671436 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=CC=CC=C4 1 -0.355 4 4 0 -14.24044313441 7670115 CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 3.936 2 3 -8.15816478035972 7669436 CCC1=CC=CC=C1NC(=O)CCC2=C(N=C(N=C2C)SC)C 1 3.897 3 1 -11.693941085158 7669432 CCC1=CC=CC=C1NC(=O)C2=CC(=NO2)C 1 2.585 2 2 -7.27568292434707 7669109 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CC3=CC=C(C=C3)F 1 2.804 2 4 -5.42032569234347 7668428 C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 4.388 2 3 -8.60199807118172 7668144 C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.211 2 2 -7.02498235562799 7668119 CC1=NOC(=C1)C(=O)NC2=CC=C(C=C2)Cl 1 2.307 2 2 -3.42369235501384 7667512 COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3 1 2.508 4 3 0 -6.23911347312823 7667435 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3)F 1 1.998 2 3 0 -6.39457429286357 7667386 C1C2=C(C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)F)NC1=O 1 1.512 2 3 0 -6.34697595322334 7667046 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC(=CC=C2)N(C)C)OCC 1 3.476 2 5 0 -21.7851834865372 7666225 C1=CC=C2C(=C1)C(=CN2)CC(=O)OCC(=O)NC3=C(C=CC=C3Cl)C(F)(F)F 1 4.256 2 3 -7.19790958683904 7665969 CN(CC1=CC=CC=C1OC)C(=O)CSC2=NN=C(N2C3CC3)C4CC4 1 2.824 4 2 -18.8294537401598 7665942 CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4 1 3.914 4 2 -19.9301468811573 7665911 C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(N2C3CC3)C4CC4 1 2.709 5 1 -16.7701938813779 7665170 COC1=CC(=C(C=C1)C(=O)COC(=O)CC2=CNC3=CC=CC=C32)OC 1 3.236 1 5 -8.21878758570586 7665121 C1CC1C2=NN=C(N2C3CC3)SCC(=O)C4=CC(=C(C=C4)F)F 1 3.658 3 1 -8.67357256736644 7665081 C1CC1C2=NN=C(N2C3CC3)SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N 1 1.333 5 3 0 -20.8773423242515 7665074 CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4 1 4.189 3 1 -9.93786696834987 7664946 C1CC1C2=NN=C(N2C3CC3)SCC(=O)C4=CC=CC=C4F 1 3.452 3 1 -10.9616006306018 7664786 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CC3=C(C=CC=C3Cl)F 1 3.468 2 4 -7.3790873361032 7664483 C1CC1C2=NN=C(N2C3CC3)SCC(=O)C4=CC=C(C=C4)F 1 3.452 3 1 -8.98655180710554 7664461 C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)F 1 2.281 3 4 0 -7.88854149219977 7663895 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=NC=CN=C3 1 0.691 4 4 0 -8.92483290811006 7663500 C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC3=CC(=CC=C3)Br 1 3.242 1 3 -0.808621584559642 7662570 CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=C(C=CC=C3Cl)F 1 4.593 2 1 -0.681237063209251 7662548 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32 1 2.682 3 4 0 -16.7488589139825 7662489 CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=C(C=CC(=C3)C)C 1 4.695 2 1 3.03999213097335 7662356 CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)F 1 3.928 2 1 3.59613094458413 7661858 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CC=C3F 1 3.399 2 3 -19.9301920934227 7661857 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CC=C3 1 3.194 2 3 -17.321058660218 7661853 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43 1 3.585 3 3 -20.1213589991533 7661837 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CS3)C 1 3.24 2 3 -19.6487618102327 7661831 C1CN(CCN1C(=O)CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.82 3 3 -20.3409615558449 7661828 CC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C 1 2.835 2 3 -20.8591966866013 7661825 CC1=CC=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.374 3 4 0 -25.3945212572999 7661824 C1CN(CCN1C(=O)CCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4 1 2.612 3 3 -23.8131615342921 7661823 CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.223 2 4 0 -22.2741159172344 7661822 C1CN(CCN1C(=O)CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 1.757 3 5 0 -26.2198618691178 7661798 CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.251 2 3 -4.54517535720448 7661771 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCO4)C 1 4.025 2 3 -2.05841853797918 7661750 CC1=CC=CC=C1SCC(=O)NNC(=O)C2=CC=CC=C2O 1 2.509 2 3 -8.73834382862609 7661749 C1=CC=C2C(=C1)C=C(O2)C(=O)NNC(=O)C3=CC=CC=C3O 1 2.224 2 4 1.8089594803573 7661741 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NNC(=O)C4=CC=CC=C4O 1 2.612 4 3 0 -3.05282549985289 7661711 CNC(=O)COC1=CC2=C(C=C1)OC3=C2CCCC3 1 2.56 1 3 -8.33875894056536 7661441 CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NC3CC3)C 1 2.322 5 1 -21.9174236158027 7661135 CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N3CCNC3=O 1 1.409 4 4 0 -18.1078260687649 7661058 CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3CC3 1 2.094 3 3 -15.1464219631311 7660698 CCC1=NOC(=C1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2)C 1 1.742 2 5 0 -18.8661845709572 7660675 CCC1=NOC(=C1C(=O)OCC(=O)C2=CC(=C(C=C2)OC)OC)C 1 2.457 1 6 0 -22.0758462312869 7660608 CCC1=NOC(=C1C(=O)OCC(=O)NC2=CC=CC=C2C(=O)OCC)C 1 2.075 2 6 0 -22.8760532158312 7660589 CCC1=NOC(=C1C(=O)OCC(=O)NCC2=CC=CC=C2)C 1 1.877 2 4 0 -21.2012891300603 7660582 CCC1=NOC(=C1C(=O)OCC(=O)NC2=CC=CC=C2OCC)C 1 2.203 2 5 0 -20.4777743869633 7660567 CCC1=NOC(=C1C(=O)OCC(=O)NC2=CC=CC(=C2)C)C 1 2.357 2 4 -14.7428021833748 7660358 COC1=C(C=C(C=C1)/C=C(\C(=O)N2CCC3=CC=CC=C32)/NC(=O)C4=CC=CO4)OC 1 3.214 2 5 0 -21.7175214188318 7660311 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC5(CC4)OCCO5 1 3.425 2 4 -7.77105897094139 7660294 CC1=CC(=NC2=NC(=NN12)CC(=O)NNC(=O)C3=CC=C(C=C3)OC)C 1 0.967 6 3 0 -14.7186184621478 7659976 CC1=CC(=CC=C1)NC(=O)N[C@@H](C)C(=O)O 1 1.398 2 3 0 -7.59030127636256 7659668 CC1=CC(=C(C=C1)C)CN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 4.209 2 1 3.21189040686805 7659607 C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)F 1 3.442 2 1 3.12161452826893 7659512 C1=COC(=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 3.013 3 3 -2.94666026311295 7659509 C1=COC(=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl 1 3.291 3 3 -1.09919293450984 7659444 C1=COC(=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)Br 1 2.433 3 3 -4.48600184216835 7658636 C=CCN1C2=CC=CC=C2/C(=N/NC(=O)C3=CC4=C(C=C3)OCO4)/C1=O 1 2.355 3 4 0 -11.8601940406427 7655129 C[C@@]1([C@@H](C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C(=O)OC 1 3.128 0 4 -2.59115123004826 7654736 CCOC1=C(C(=CC(=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CO2)Cl)OC 1 2.958 1 6 0 -14.5476369717366 7654679 C1=CC=C(C=C1)CCC(=O)OCC(=O)NCC2=CC=CC=C2 1 2.819 1 3 -15.0794832464567 7654011 COC1=CC(=C(C=C1)OC)/C=C/C(=O)OCC(=O)N2CCCC2 1 1.847 1 5 0 -7.66169290480098 7653921 CCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)C2=CC=CC=C2OC)OC 1 3.708 0 6 -11.8518580197925 7653805 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OCC(=O)C3=CC=C(C=C3)F 1 2.036 2 5 0 -14.358711572549 7653792 CC1=CC(=C(C=C1)C)COC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 3.131 2 4 -9.51542978058346 7653715 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43 1 1.651 4 5 0 -13.7062461760108 7653711 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OCC(=O)C3=CC=CC=C3Cl 1 2.495 2 5 0 -13.0526817456638 7652453 CC1=CC(=NO1)NC(=O)COC2=CC3=C(C=CC(=C3)OC)C=C2 1 2.48 2 4 -12.3458051566151 7651227 C1CCC(CC1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F 1 2.434 1 5 -19.1239721036489 7651214 CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2Cl)[N+](=O)[O-])OC 1 3.643 2 4 -6.14934986803209 7649265 C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 3.921 2 3 -12.4607756349448 7649230 COC1=CC=CC=C1CNC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 3.583 2 4 -14.693695333606 7647648 CC1=CC(=NC2=NC(=NN12)CC(=O)NNC(=O)C3=CC=CC=C3Cl)C 1 1.648 6 2 0 -15.6878968435914 7647528 COC1=C(C=C(C=C1)C2=NON=C2NC(=O)C3=CC=CO3)OC 1 2.267 3 5 0 -6.82721009496652 7647311 CC1=CC(=C(C=C1)NC(=O)CCCCCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O)C 1 4.135 3 3 -14.3407183233461 7647256 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C(=C(C=C3N2)OC)OC)OC 1 2.456 2 6 0 -8.30368032559925 7647239 C[C@H]1C(=O)N(C(=O)N1)C2=CC=C(C=C2)F 1 1.312 2 2 0 -3.29728159889332 7647132 COC1=CC=C(C=C1)CCNC(=O)CCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O 1 2.241 3 4 0 -15.825946693309 7647062 CC(C)[C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)N2CC(=O)NC3=CC=CC=C32 1 0.653 4 5 0 -24.5917692434627 7646889 C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCC(=O)NCC4=CC=C(C=C4)Cl 1 2.601 3 3 -14.1825353054438 7646617 COC1=CC=C(C=C1)CNC(=O)CCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O 1 1.92 3 4 0 -16.4175002051748 7645684 CC1CCN(CC1)C(=O)COC(=O)C2=CC3=C(C(=C2)OC)OCCO3 1 1.889 1 6 0 -16.3915405561137 7645645 COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)NC3CCCCC3 1 2.372 1 6 0 -15.0435186184351 7642658 C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CCC(=O)NC3=CC(=C(C=C3)O)C(=O)O 1 2.42 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3.965 3 2 -11.83866546331 7623136 C[C@H](C(=O)NC1CCCC1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C 1 2.953 3 4 0 -16.3187419127701 7623064 CC1=CC(=C(C=C1)NC(=O)C2CCC(CC2)CNC(=O)[C@@H]3CC4=CC=CC=C4CN3)C 1 4.138 3 2 -10.074932978601 7623046 CN1C2=C(C=C(C=C2)Cl)C=C1C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O 1 4.014 2 3 -4.0677665696656 7621836 C1[C@H](NCC2=CC=CC=C21)C(=O)NCC(=O)NCC3=CC=CO3 1 0.462 3 3 0 -13.4640897183686 7621516 C[C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2=CC3=C(N2C)C=CC(=C3)Cl 1 2.345 3 4 0 -6.6871860141523 7620449 C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)[C@@H]3CC4=CC=CC=C4CN3 1 1.526 3 4 0 -13.0154298817404 7620272 C[C@@H](C(=O)NC1CCCC1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2 1 1.583 3 2 0 -11.7117207897571 7639119 CC1=CC2=NC(=O)/C(=C/C3=CC=CN3CC4=CC=CC=C4)/C(=N)N2O1 1 2.758 4 2 -9.3284541148876 7638797 CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC2CCC(CC2)C(=O)O 1 3.421 2 5 0 -22.8709241750445 7638262 CN1C=CC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 0.92 4 3 0 -10.599759873199 7619468 CN1C2=C(C=CC=N2)C=C(C1=O)C(=O)N3CCC4=CC=CC=C43 1 1.872 3 2 0 -12.3957563214051 7619157 CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)[C@@H]3CC4=CC=CC=C4CN3 1 3.042 3 2 -3.25108725012198 7619145 CC1=CC=C(C=C1)S(=O)(=O)N2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O 1 2.682 2 4 -8.74077684043245 7618785 COC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)N2CCC3=CC=CC=C3C2)OC 1 1.852 2 5 0 -24.8875280909643 7618568 COC1=CC(=C(C=C1)C(=O)NCCS(=O)(=O)N2CCC3=CC=CC=C3C2)OC 1 1.852 2 5 0 -20.4796784082092 7618335 C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC=C(C=C3)F 1 1.973 3 3 0 -16.7092572391879 7618113 COC1=CC=CC(=C1)CCNS(=O)(=O)CCNC(=O)C2=CC(=CC=C2)OC 1 1.893 2 5 0 -10.6755937209067 7618095 COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)NCCCC2=CC=CC=C2 1 2.365 2 4 -12.4819967557332 7618092 COC1=C(C=C(C=C1)CCNS(=O)(=O)CCNC(=O)C2=CC(=CC=C2)OC)OC 1 1.876 2 6 0 -13.9047794608381 7618088 COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)NCCC2=CC=CC=C2 1 1.909 2 4 0 -10.4348425993171 7618086 COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)NCC2=CC=CS2 1 1.328 2 4 0 -13.6844324451398 7618084 COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)NCC2=CC=CO2 1 0.77 2 5 0 -13.199301065695 7618083 COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)NCC2=CC=CC=N2 1 0.652 3 4 0 -12.7417656121299 7618082 COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)NCC2=CN=CC=C2 1 0.437 3 4 0 -12.34044800522 7618079 COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)NCC2=CC=C(C=C2)Cl 1 2.252 2 4 -7.89816568769912 7618075 COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 1.356 2 6 0 -11.5552562197327 7618071 COC1=CC=C(C=C1)CNS(=O)(=O)CCNC(=O)C2=CC(=CC=C2)OC 1 1.571 2 5 0 -10.2231066411269 7618054 CN1C2=C(C=C(C=C2)F)C=C1C(=O)N[C@H](C3=CC=CC=C3)C(=O)O 1 3.234 2 3 -5.37447599019212 7618026 COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)NC2CCCC2 1 1.406 2 4 0 -13.1950529213828 7615277 CC1=CC2=C(C=C1C)SC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.246 3 2 -0.43790926916898 7615272 CC1=CC2=C(C=C1C)SC(=N2)N3CCN(CC3)C(=O)C4=CC=CS4 1 3.804 3 1 -5.85385645176528 7615225 CSC1=CC=CC2=C1N=C(S2)NC(=O)C3=COCCO3 1 1.695 2 3 0 -8.27832113731255 7614593 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CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)COC(=O)C3=CC=CC=C3NCCO)C 1 2.731 4 4 0 -10.0556504938481 7602128 CC(C)[C@@H](C(=O)O)NC(=O)NCCC1=CCCCC1 1 2.505 2 3 -19.8382348881773 7601955 C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3F 1 1.968 2 3 0 -10.0448241588973 7601938 C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 2.427 2 3 -8.99169969347029 7601909 CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CO3)[N+](=O)[O-] 1 3.175 3 5 0 -9.87678326424347 7601426 C1CN(C1)C(=O)CNC(=O)CC2=CC=CC=C2 1 0.219 2 2 0 -12.60936651741 7601418 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C 1 3.301 4 2 -13.8334875495402 7601407 CN(CC1=C(C=CC(=C1)Br)OC)C(=O)CNC(=O)CC2=CC=CC=C2 1 2.654 2 3 -14.2078728062154 7601105 COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)N2CCC3=CC=CC=C3C2 1 1.868 2 4 0 -20.9747501272878 7601104 COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.487 3 6 0 -23.9480837165782 7601098 CCOC(=O)N1CCN(CC1)S(=O)(=O)CCNC(=O)C2=CC(=CC=C2)OC 1 0.419 3 6 0 -23.4195422543582 7601086 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COC(=O)C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 0.158 2 6 0 -7.16345100339334 7600558 CCOC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(OC(=C2)C)C 1 1.598 2 4 0 -9.17073063414346 7600545 CC1=C(SC=C1)C(=O)NNC(=O)C2=C(OC(=C2)C)C 1 1.705 2 3 0 -10.1999930688207 7600525 CC1=CC(=C(O1)C)C(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.16 3 5 0 -11.8454587164002 7600162 C[C@@H](C(=O)NC1CCCCC1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C 1 3.409 3 4 0 -16.6732104269382 7599546 CCCCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=C(C=C3)OCC)C(=O)N 1 3.446 5 3 0 -9.04295601694965 7599545 CCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=C(C=C3)OCC)C(=O)N 1 2.533 5 3 0 -8.49944615440502 7599537 CCCCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=CC=C3F)C(=O)N 1 3.319 5 2 0 -6.93353713337348 7599536 CCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=CC=C3F)C(=O)N 1 2.406 5 2 0 -6.39002727082886 7599528 CCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=CC=C3F)C(=O)N 1 1.494 5 2 0 -4.50615167630459 7599526 CCCCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=C(C=C(C=C3)OC)OC)C(=O)N 1 3.081 5 4 0 -9.54211762857879 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CC1=CC=C(C=C1)CNC(=O)CNC(=O)[C@@H]2CC3=CC=CC=C3CN2 1 1.767 3 2 0 -11.2132088173013 7598302 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NC=CC(=C3)Cl 1 2.901 3 1 -4.16004182319918 7598201 COC1=C(C=C(C=C1)C(=O)/C=C/C2=CSC=C2)CSCC(=O)O 1 3.377 0 4 -11.3641697092275 7597950 CC1=CSC(=O)N1CC(=O)NC2=C(C=C(C=C2)Cl)F 1 2.022 2 2 -6.03146704175595 7597411 CNC(=O)C1=C(SC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 0.984 3 4 0 -16.6018550633673 7597410 C1CN(CCC1C(=O)NC2=C(C=CS2)C(=O)N)S(=O)(=O)C3=CC=CS3 1 0.779 3 4 0 -13.2105445805075 7597406 C1CN(CCC1C(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C3=CC=CS3 1 1.655 3 3 0 -14.546459340853 7597320 COC1=CC(=CC(=C1)C2=NN=C(O2)NC(=O)CC3=CC=C(C=C3)F)OC 1 2.663 3 4 0 -4.20753633705486 7597312 C1=CC(=CC=C1CC(=O)NC2=NN=C(O2)C3=CC=C(C=C3)F)F 1 2.901 3 2 -2.37072969132638 7597274 CC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC3=CC=C(C=C3)F 1 1.129 3 3 0 -12.9045819675962 7597271 CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CC3=CC=C(C=C3)F 1 2.006 3 2 -19.751169886581 7597268 CC1=CC(=C(C=C1)C)C2=NN=C(O2)NC(=O)CC3=CC=C(C=C3)F 1 3.668 3 2 -2.11063274335678 7597258 CC1=CC(=C(C=C1)C2=NN=C(O2)NC(=O)CC3=CC=C(C=C3)F)C 1 3.668 3 2 -2.4247122778056 7597179 C1=CC(=CC=C1CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F)F 1 4.004 2 1 -0.286123690201673 7597012 CC1=CC(=C(C=C1)CC(=O)NC2=NN=C(O2)C3=CC=C(C=C3)F)C 1 3.668 3 2 -1.92463990973251 7596958 CC1=CC(=C(C=C1)CC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)C)C#N)C 1 2.773 3 2 -20.8432760726699 7596612 C[C@@H](C(=O)NCC1=CC=CC=C1OC)NC(=O)[C@@H]2CC3=CC=CC=C3CN2 1 1.748 3 3 0 -13.8954768983666 7596411 CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(=O)[C@@H]3CC4=CC=CC=C4CN3)C 1 3.072 3 2 -5.13606536788668 7595149 COCC1=C(OC2=CC=CC=C21)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4 1 2.553 2 5 0 -3.89435945065185 7595135 CC1=C(OC2=CC=CC=C12)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4 1 3.235 2 4 -1.76417869551879 7595078 C1=CC=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3 1 2.154 2 3 -9.06952967502394 7595073 CC1=C(SC=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3 1 2.593 2 3 -10.6845421871525 7594067 CCCNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2 1 1.27 3 3 0 -27.2568843548345 7594047 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.947 3 3 -23.3656585231638 7594024 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C#N 1 2.8 3 2 -18.7754777403276 7593932 C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3 1 3.834 2 2 -17.3190220096046 7593819 C1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N 1 2.436 5 3 0 -9.66824784835059 7593614 CCOC1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)COC3=CC=C(C=C3)Cl 1 4.314 3 3 -1.18993709207716 7593595 COC1=NN=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.429 3 3 -5.41326138565536 7593581 COC1=NN=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.861 3 3 -4.10005140120669 7593572 C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl 1 3.1 5 3 0 -6.75757012820618 7593509 COC1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)C3=CC=CS3 1 3.419 3 2 -3.39866067858317 7593506 COC1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 2.861 3 3 -1.86485865605129 7593500 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COC1=CC=C(C=C1)N(C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.469 2 4 -5.17013051173983 7573833 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)C 1 2.8 2 4 -8.26179197068147 7571571 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3CC3 1 1.245 4 5 0 -14.512481231503 7571578 C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC3=CC=CC=C3Br 1 3.242 1 3 -1.18538118009846 7571466 CC(C)N1C(=O)C(=O)N(C1=O)CC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC 1 0.947 3 6 0 -18.1832320160546 7571349 CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC(=NC3=C2C(=C(S3)C)C)C)N 1 2.004 5 3 0 -15.2019852136104 7571309 CCN1C(=O)C(=O)N(C1=O)CC(=O)N(C)CC(=O)NC2=CC=CC=C2Cl 1 0.245 4 5 0 -14.8088556081207 7571304 CCN1C(=O)C(=O)N(C1=O)CC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 0.691 3 5 0 -10.4894287761047 7570114 CC(C)C1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3 1 3.342 2 3 -18.1789301296231 7569980 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=CC=C2OC)C 1 2.66 1 6 0 -13.6056817357864 7569256 CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-] 1 1.54 3 7 0 -8.88224970500945 7568313 CC1=CC(=C(C=C1)C(=O)OCC(=O)NC(=O)C2=CC=C(C=C2)C(C)(C)C)O 1 3.838 1 5 -3.43212080574999 7567657 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC 1 2.116 3 5 0 -16.8545191089097 7567613 CC1=CC(=C(C=C1)C(=O)OCC(=O)NNC(=O)COC2=CC=C(C=C2)Cl)O 1 2.322 2 6 0 -4.42992015610743 7567477 CC1=CC(=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC=CC=C2)O 1 1.822 2 5 0 -9.22216946254578 7565389 CC1=C(NC(=C1C(=O)C)C)C(=O)CN2C(=O)C(NC2=O)(C)C 1 0.854 3 4 0 -12.2745491004358 7562431 CC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)NC3=NOC(=C3)C)C 1 2.96 4 3 0 -20.0184119268741 7561675 C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3 1 3.377 2 2 -17.3190220096046 7561249 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3CC3 1 0.402 4 5 0 -14.7726143361942 7561038 CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(ON=C2C)C 1 2.066 2 5 0 -23.8813677078819 7560574 C1CCC(CC1)(C#N)NC(=O)CN2C(=O)C(=C(C=N2)Cl)Cl 1 1.356 4 2 0 -1.91655156964619 7560571 CC1=CC(=C(O1)C)C(=O)OCC(=O)N(C)CC2=CC=CC=C2OC 1 1.912 1 5 0 -14.4487947202082 7560543 CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=COCCO2 1 1.098 1 6 0 -20.6022631970993 7560390 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)C3=CC(=CC=C3)Br 1 2.569 1 4 -1.6096339759389 7560383 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)C3=CC=C(C=C3)OC(F)F 1 2.626 1 5 5.2428945358203e-002 7560363 CC1=CC(=C(N1CC=C)C)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.028 2 4 -8.31798822336546 7560362 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)C3=CC(=C(C=C3)F)F 1 2.232 1 4 -0.913658613842566 7560235 C1CCC(CC1)(C#N)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.32 3 3 -5.02228739393083 7560044 CC(C)C[C@@H](C(=O)O)NC(=O)NCC1=CC=C(C=C1)F 1 2.356 2 3 -14.5089005892372 7559267 COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 1.682 4 3 0 -13.4235331638523 7579364 C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)NC(=O)[C@@H]2CC3=CC=CC=C3CN2 1 1.748 3 3 0 -11.6128060702883 7579221 CC1=CC(=CC(=C1)NC(=O)[C@@H](C2=CC=CC=C2)NC(=O)[C@@H]3CC4=CC=CC=C4CN3)C 1 3.965 3 2 -11.9795146475 7579125 C[C@H](C(=O)NC1CCCCC1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2 1 2.039 3 2 -12.0661893039252 7579057 CC1=CC=C(C=C1)NC(=O)[C@@H](C)NC(=O)[C@@H]2CC3=CC=CC=C3CN2 1 2.244 3 2 -10.0588603164785 7578945 C1=CC=C(C=C1)C2=NN(C(=O)O2)CC(=O)OCC(=O)C3=CC(=C(C=C3)F)F 1 3.101 2 5 0 -9.20221776829572 7578580 CC1=CC(=CC=C1)NC(=O)C2CCC(CC2)CNC(=O)[C@@H]3CC4=CC=CC=C4CN3 1 3.652 3 2 -6.1602653982529 7558340 C1=CC=C(C=C1)C(=O)NC(=O)CSC2=NN=C3N2C=CC=C3 1 2.196 4 2 -17.4786637700853 7558318 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C3N2C=CC=C3 1 2.666 4 3 0 -21.808166093499 7558014 CC1=CC(=C(N1C2CC2)C)C(=O)CN3C(=O)C(=O)N(C3=O)CC(C)C 1 1.857 3 4 0 -13.2922154527549 7557987 CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2C(=O)C(=O)N(C2=O)CC(C)C)C 1 2.236 3 6 0 -17.1605359730898 7556879 CC1=NN=NN1/C(=C\C2=CC=CC=C2)/C(=O)OCC(=O)NC(C)(C)C 1 0.996 5 3 0 -17.2864318027659 7556897 CC1=NN=NN1/C(=C\C2=CC=CC=C2)/C(=O)OCC(=O)NC3=CC=CC=C3C(=O)C 1 1.381 5 4 0 -17.4937564650225 7556598 CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)NC3CCCC3 1 3.356 4 1 -13.6541480761024 7556589 C1CCC(CC1)(C#N)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3 1 3.296 5 1 -7.45022777574213 7556206 C1=CC(=CC=C1C2=NN=CO2)OCC(=O)NC3=CC=C(C=C3)C(F)(F)F 1 2.691 3 3 -0.168421548122396 7555452 CC1=CC(=CC=C1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 2.582 2 6 0 -15.4145737967415 7555180 C[C@H](C(=O)NC1CCCCC1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C 1 3.409 3 4 0 -16.6732104269382 7555151 CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OC/C=C/C2=CC=CC=C2 1 3.029 1 3 -7.595596686887 7555085 CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCC(=O)NC(=O)C2=CC=CC=C2OC 1 1.469 2 6 0 -14.3446811207919 7554980 CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCC(=O)C2=CC=CC=C2OC 1 2.217 1 5 -12.9399525414174 7554440 CC1=CC(=CC=C1)NC(=O)[C@@H](C2=CC=CC=C2)NC(=O)[C@@H]3CC4=CC=CC=C4CN3 1 3.479 3 2 -9.80049932186558 7554411 C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)[C@@H]3CC4=CC=CC=C4CN3 1 1.543 3 4 0 -14.4607310353088 7554360 C1CCC(CC1)NC(=O)CNC(=O)[C@@H]2CC3=CC=CC=C3CN2 1 1.555 3 2 0 -10.8967906358793 7554262 CC(C)[C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2=CC3=C(N2C)C=CC(=C3)OC 1 2.507 3 5 0 -13.9288465994477 7554122 COC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)[C@@H]3CC4=CC=CC=C4CN3 1 2.083 3 3 -3.42461532348704 7554104 C[C@H](C(=O)NC1CCCC1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2 1 1.583 3 2 0 -11.7117207897571 7553723 CCOC1=NN=C(C=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.412 4 5 0 -4.41734693858343 7553686 CCOC1=NN=C(C=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.412 4 5 0 -5.49584150741383 7553646 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)OC 1 3.549 4 5 0 -4.1687329165133 7553645 COC1=NN=C(C=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.063 4 5 0 -4.11933898594849 7553644 COC1=NN=C(C=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 3.063 4 5 0 -5.18956353738668 7553598 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)OC 1 3.549 4 5 0 -1.99619749902261 7553597 COC1=NN=C(C=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.063 4 5 0 -1.80696566423616 7553596 COC1=NN=C(C=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 3.063 4 5 0 -3.44079525407541 7553595 COC1=NN=C(C=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.063 4 5 0 -5.1978335547789 7553095 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4 1 3.361 3 3 -4.39766131294467 7552227 CC(C)[C@@H](C(=O)NC1CCCCC1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2 1 2.882 3 2 -17.2886113344045 7551836 CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCC3=CC=C(C=C3)OC 1 3.873 3 2 -1.97623459505757 7551794 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)N4CCCC4 1 3.258 4 2 -4.06185072186522 7551758 CCCCN1C(=O)C2=CC3=CC=CC=C3N(C2=NC1=O)C4=CC=CC=C4 1 4.188 3 2 -0.325445614715342 7551492 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCC3 1 3.058 3 3 -15.0166580643201 7551368 C1CC1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 2.5 2 2 -0.875056152701352 7551341 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)NC(=O)C2CCCC2 1 3.294 3 3 -12.5141628433921 7551225 CC1=CC(=CC(=C1)OCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C 1 2.537 3 4 0 -11.6138853736234 7551202 CC1=C(C=C(C=C1)CC(=O)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C 1 2.737 3 3 -8.50831208095069 7551121 COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)N3CCCC3=O 1 1.389 1 6 0 -8.68491084054818 7551077 CC1=CC(=C(C=C1)C)OCC(=O)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3 1 2.898 4 3 0 -2.4803086099468 7550989 CC1=CC(=CC=C1)OCCCC(=O)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3 1 2.981 4 3 0 -2.22218100423157 7550953 CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2N3CCCCC3 1 3.936 2 3 -9.60450334727879 7550905 CC1=C(C(=CC=C1)OCC(=O)NC2=CC=CC=C2N3CCCCC3)C 1 4.501 2 2 -3.6186724195187 7550840 COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=C(C=C3)OC(F)F 1 3.526 1 6 0 -2.07783495792748 7550538 CC1=C(C(=NO1)C)C(=O)OCC(=O)N(C)C2(CCCCC2)C#N 1 1.491 3 4 0 -14.4839706900201 7550321 CC1=C(C(=NO1)C)C(=O)OCC(=O)NCCC2=CC=CC=C2 1 1.532 2 4 0 -17.8029225969835 7548995 COC1=CC(=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-] 1 2.372 2 6 0 -3.36505040692542 7548810 CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(ON=C3C)C 1 2.305 6 3 0 -10.5031717985926 7547931 CC[C@H](C(=O)O)NC1=NC=NC2=C1OC3=CC=CC=C32 1 2.348 3 3 -2.64549439786644 7546402 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3 1 3.372 4 2 -16.4186794569576 7545476 COC1=CC=C(C=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCCCC4 1 2.926 5 3 0 -21.5993738900416 7545139 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C=NC4=CC=CC=C43 1 1.765 4 3 0 -21.5865252249838 7544275 COC(=O)C1=C(SC=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.546 1 5 -15.7431749302984 7543995 C1=CC=C(C=C1)CNC(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.663 1 3 -11.2018515723496 7543058 C1=CC=C(C=C1)CNS(=O)(=O)C2=CNC(=O)NC2=O 1 -0.813 3 4 0 -10.2421002701587 7542830 CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)COC(=O)C3=COCCO3 1 2.73 0 7 0 -0.126900216582668 7542337 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=CS3 1 0.913 4 5 0 -12.8012919823053 7542122 CCOC(=O)C1=C(/C(=N/NC2=CC(=CC(=C2)C(=O)O)C(=O)O)/N=C1C)C 1 1.472 3 6 0 -10.2688778383896 7541959 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4 1 3.361 3 3 -4.21479420509843 7541887 COC1=C(C=C(C=C1)F)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32 1 2.28 2 5 0 -14.6457736908905 7541565 COC1=CC=CC(=C1)NC(=O)C(=O)NCCCN2CCCC2=O 1 4.e-003 3 4 0 -24.1817239650787 7540299 CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.424 3 2 0.510537487564218 7540255 COC1=C(C=C(C=C1)C(=O)COC(=O)/C=C/C2=CC=CO2)F 1 2.993 0 5 -7.30250355109967 7539806 C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)NC3=CC(=CC=C3)F 1 1.677 3 4 0 -14.1339600737531 7539798 CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)C 1 3.246 3 2 1.81579028342942 7539794 CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=CS4)C 1 3.804 3 1 -3.60015689916688 7539642 C1CN(CCN1C2=NC3=C(C=C(C=C3S2)F)F)C(=O)C4=CC=C(O4)[N+](=O)[O-] 1 2.704 4 4 0 1.05842834019539 7539638 C1CN(CCN1C2=NC3=C(C=C(C=C3S2)F)F)C(=O)C4=CC=CS4 1 3.243 3 1 -3.95649496890163 7539421 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=CO3 1 0.704 4 6 0 -11.5778509088927 7539374 COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(O4)[N+](=O)[O-] 1 2.276 4 5 0 -1.91813212113432 7539370 COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.257 3 3 -1.61450247415982 7539367 COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=CS4 1 2.815 3 2 -7.03044965675612 7539229 CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=CS4 1 3.318 3 1 -4.84720130756994 7539205 C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=COCCO4 1 0.687 4 5 0 -4.64172525555162 7539187 C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CS4 1 2.726 4 3 0 -6.70514972664774 7539178 CCCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Br 1 3.086 3 1 -3.48597496851267 7539176 CC(C)(C)C(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Br 1 3.509 3 1 -0.976181439578991 7539175 CCCCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Br 1 3.542 3 1 -2.07052311038576 7539173 CCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Br 1 2.629 3 1 -1.24465974067259 7539166 CC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Br 1 1.963 3 1 0 1.59765953805855 7539142 CCCCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)F 1 2.999 3 1 -2.54180914672282 7539130 C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)F)C(=O)C4=CC=C(O4)[N+](=O)[O-] 1 2.498 4 4 0 1.17690721612985 7539094 CCCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl 1 3.002 3 1 -2.2207233861649 7539085 CCCCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl 1 3.458 3 1 -0.805271528037978 7539084 CC(C)C(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl 1 3.008 3 1 -6.64921007706711e-002 7539038 CCCCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OCC 1 3.126 3 2 -5.84272275196001 7539007 COC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)N=CS5 1 2.946 4 2 -5.09991547878768 7538979 COC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(O4)[N+](=O)[O-] 1 2.276 4 5 0 -1.24320302264212 7538944 CCCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)CC 1 3.28 3 1 -4.23799221896666 7538937 CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C(C)(C)C 1 3.703 3 1 -1.94649799324012 7538855 CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.76 3 2 1.73287832262572 7538367 CSCC[C@@H](C(=O)O)NC(=O)NC1=CC=C(C=C1)S(=O)(=O)N 1 -5.6e-002 3 5 0 -21.7954048104674 7537873 C1CN(CCN1C(=O)C2=NNC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.564 4 3 0 -23.4648925187322 7537871 C1CN(CCN1C(=O)C2=NNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4 1 1.9 4 3 0 -26.3513138455676 7537158 COC1=C(C=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2)F 1 2.19 1 5 -15.74652426368 7536960 COC1=CC=C(C=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCOCC4 1 1.697 5 4 0 -23.1676703398172 7536747 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=CC=C3)F 1 1.808 2 5 0 -21.5717465830451 7536382 C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)COC(=O)C4=NC=CN=C4N 1 1.29 5 3 0 -20.0839331627811 7536377 CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3)C 1 2.579 3 4 0 -18.5405740894839 7536259 CC1=CC(=C(S1)C)C(=O)CCC(=O)NNC(=O)C2=CC=CC=C2O 1 1.537 2 4 0 -6.02749067335984 7536230 C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3 1 1.165 3 5 0 -17.0894867218904 7536193 CC1=CC=CC(=C1)C(=O)NCC(=O)N2CCCC2 1 1.25 2 2 0 -11.0707292758525 7536126 C1=CC=C(C(=C1)F)SCC(=O)NNC(=O)C2=CC=NC=C2 1 1.319 3 2 0 -11.8764840286066 7536116 C1=CN=CC=C1C(=O)NNC(=O)C2=CC(=C(S2)Br)Br 1 1.99 3 2 0 -7.23432651225621 7536105 CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=NC=C3 1 1.405 5 3 0 -12.4106484659426 7536070 C1=CC=C(C(=C1)CC(=O)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-] 1 0.65 4 4 0 -13.2071174553137 7536024 C1=CC=C2C(=C1)C(=O)N=C(N2)COC3=C(C=C(C=C3)Cl)Br 1 3.741 2 2 -0.464949255618396 7536005 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N=C2C)C)C 1 1.21 4 4 0 -9.25556705044366 7535933 CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)NCC3=C(C=C(C=C3)Cl)Cl 1 3.151 3 3 -12.4169646322335 7535897 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC4)OC 1 3.225 2 3 -7.70966570888723 7535806 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3 1 1.91 3 4 0 -13.1162606713547 7535801 C1CN(CCN1C(=O)CC2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3 1 2.908 2 2 -8.92479297289375 7535656 CC(=C1C=CC(=O)C=C1)NNC(=O)CC2=CC=C(C=C2)F 1 1.76 2 2 0 -4.2365610825257 7535641 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NCC(=O)NC3=C(C=CC=C3C)C 1 3.471 2 3 -12.0884938525685 7535636 CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(=O)NC3=C(C=CC=C3C)C 1 3.331 4 3 0 -19.1281938035754 7535621 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3 1 1.474 3 5 0 -17.710998038672 7535600 C1=CSC2=C1NC(=NC2=O)COC(=O)C3=CC=C(S3)Cl 1 2.566 2 3 -4.89829080641447 7535598 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC3=C(C=C2)OCCO3 1 2.432 2 4 -16.6443250713741 7535285 C1CN(CCN1C(=O)C2=CC(=C(C=C2)O)Cl)S(=O)(=O)C3=CC=CC=C3 1 2.25 2 4 -13.9955268021749 7535249 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC 1 2.244 3 3 -25.4798939558586 7535246 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CS3)C 1 2.754 2 3 -22.1289033435538 7535151 C1=CC=C(C(=C1)C(=O)NNC(=O)CCNC(=O)C2=CC=C(C=C2)Br)O 1 1.686 3 4 0 -11.9484105063059 7535141 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=CC=C3O 1 2.176 3 4 0 -5.77723681300608 7535133 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3O 1 2.078 3 5 0 -10.4720952989088 7535118 CC1=CC=CC(=C1)C(=O)NCC(=O)NNC(=O)C2=CC=CC=C2O 1 1.175 3 4 0 -10.5084359458264 7535108 CC1=CC(=C(O1)C)C(=O)NNC(=O)C2=CC=CC=C2O 1 1.024 2 4 0 -4.18396912278829 7535086 COC1=CC2=CC=CC=C2C=C1C(=O)NNC(=O)C3=CC=CC=C3O 1 2.521 2 4 -1.97770580696367 7535080 C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)NNC(=O)C3=CC=CC=C3O 1 3.196 2 4 -3.23042049912255 7535068 C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=CC=C4O 1 2.52 2 3 -3.01412231559106 7535006 C1=CC(=CC=C1C(=O)CCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3)Cl 1 2.773 2 4 -10.4024268209923 7534925 COC1=CC2=CC=CC=C2C=C1C(=O)N3CCCC3 1 2.596 1 2 -6.12557501988599 7534913 COC1=C(C=CC(=C1)SC)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3 1 2.679 2 4 -5.7888581839112 7534909 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OCC3=NC(=O)C4=C(N3)C=CS4 1 1.038 3 5 0 -10.2751796711985 7534903 CC1=NC=C(N=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3 1 0.564 4 3 0 -13.6278315824678 7534722 CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCNC3=O)C 1 1.637 6 2 0 -24.8788277214366 7534716 C1=CC=C2C(=C1)C(=O)N=C(N2)COC3=C(C=C(C=C3)Cl)Cl 1 3.657 2 2 -2.38211455742371 7534629 C1=COC(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3 1 1.549 2 4 0 -7.19393556904697 7534626 C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CC=CO4 1 2.9 2 4 -3.59125716015033 7534391 CC(=O)CCSC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.847 3 5 0 -24.3110889549007 7534245 C1CN(CCN1C(=O)C2=CNC(=O)C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 0.299 3 4 0 -20.7887177447931 7534242 C1CN(CCN1C(=O)C2=CNC(=O)C=C2)S(=O)(=O)C3=CC=CC=C3 1 -0.366 3 4 0 -23.5067260746161 7534232 COC1=CC(=C(C=C1)C2=NN=C(O2)SCC(=O)NC3CC3)OC 1 1.729 3 4 0 -17.0701178108523 7533764 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-] 1 2.301 2 6 0 -16.8406632415086 7533620 CC(C)[C@@H](C(=O)OCC(=O)NC1(CCCC1)C#N)NC(=O)OCC2=CC=CC=C2 1 2.896 3 5 0 -18.2160368767399 7533454 CC(C)[C@@H](C(=O)OCC(=O)NCCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 1 3.599 2 5 0 -21.0231730315942 7533343 C1COC(=CO1)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Br 1 1.117 3 4 0 -2.7659368291816 7533312 C1=COC(=C1)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Br 1 2.599 3 3 -0.501603346924912 7533289 CC1=CC(=C(C=C1)C)C2=NN=C(O2)NC(=O)COC3=CC=CC=C3 1 3.263 3 3 -3.07563418255989 7533288 CC1=CC(=C(C=C1)C)C2=NN=C(O2)NC(=O)C3=COCCO3 1 1.341 3 4 0 -3.69749776891493 7533251 CC1=CC(=C(C=C1)C)C2=NN=C(O2)NC(=O)C3=CC=CO3 1 2.823 3 3 -1.43316428665824 7533159 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)NC(=O)C3=COCCO3 1 0.32 3 7 0 -8.06435129426383 7532830 C1CCC(C1)(C#N)NC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 1.046 3 2 0 -8.44641986370863 7532500 CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(O4)Br 1 2.808 5 2 0 -6.42001618317593 7532486 CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)NC(=O)CC4=CC(=C(C=C4)OC)OC 1 2.847 5 3 0 -11.0984475875738 7532476 CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=CO4 1 2.24 5 2 0 -5.20420042525204 7532473 CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CN=C(C=C4)Cl 1 2.568 6 1 0 -8.24096805393325 7532466 CCOC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C3=NN4C(=NN=C4C=C3)C 1 3.212 5 2 0 -7.74799611556697 7532449 CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)NC(=O)CC4=CC=CS4 1 2.833 5 1 -9.45464524326524 7532425 CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)NC(=O)CC4=CC=C(C=C4)OC 1 2.863 5 2 0 -6.98177296385894 7532305 C1CCC(CC1)(C#N)NC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 2.601 2 4 -10.8805675864536 7532286 C1CCC(CC1)CC(=O)NC2=CC=C(C=C2)C3=NN4C=NN=C4C=C3 1 3.597 5 1 -9.09865821562957 7532226 CCC(CC)C(=O)NC1=CC=CC(=C1)C2=NN3C=NN=C3C=C2 1 3.267 5 1 -6.45743245250155 7532223 COCC(=O)NC1=CC=CC(=C1)C2=NN3C=NN=C3C=C2 1 0.962 5 2 0 -5.67386924697412 7532182 C1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)F)C3=NN4C=NN=C4C=C3 1 3.13 5 1 -3.96698724697938 7532165 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=CC(=C2)C3=NN4C=NN=C4C=C3 1 2.857 5 3 0 -6.79031657415769 7532156 CCCCC(=O)NC1=CC=CC(=C1)C2=NN3C=NN=C3C=C2 1 2.804 5 1 -7.77495175648357 7532150 C1=CC(=CC(=C1)NC(=O)C(F)(F)F)C2=NN3C=NN=C3C=C2 1 2.313 5 1 -2.85859642515538 7532131 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 3.123 6 2 0 -15.9959721978629 7532120 CC1=CC=CC=C1CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 4.087 5 0 -10.8071501445308 7532116 C1CCN(CC1)C(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 2.2 6 1 0 -14.9402602357142 7532111 C1=CC(=CC=C1NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4)F 1 2.859 6 1 0 -12.8878584922107 7532107 CCOC1=CC=CC=C1NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 2.986 6 2 0 -17.9247010141112 7532102 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 2.637 6 2 0 -14.0127017268201 7532101 COC1=CC=CC(=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 2.637 6 2 0 -13.6559963321324 7532090 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 3.139 6 1 0 -13.5997355176759 7532086 CC1=CC=CC=C1NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 3.139 6 1 0 -16.1644282936682 7532084 CC1=CC=C(C=C1)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 4.087 5 0 -8.13424478559714 7532083 C1=CC(=CC=C1CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4)F 1 3.806 5 0 -7.42236776013189 7532082 C1=CC=C(C(=C1)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4)F 1 3.806 5 0 -10.0010067618342 7532081 C1=CC(=CC(=C1)F)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 3.806 5 0 -6.92986529122503 7532078 C1=CC=C(C=C1)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 3.6 5 0 -8.94905969037674 7532071 COC1=CC=CC=C1CNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4 1 2.644 6 2 0 -22.070064158014 7532061 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4 1 3.123 6 2 0 -17.9666189461166 7532054 C1=CC(=CC(=C1)F)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4 1 2.859 6 1 0 -13.8767708268239 7532052 C1=CC(=CN=C1)C2=NN3C(=NN=C3SCC(=O)NC4=C(C=C(C=C4)F)F)C=C2 1 3.064 6 1 0 -15.2603146277718 7532044 C1=CC(=CN=C1)C2=NN3C(=NN=C3SCC(=O)NC4=CC=C(C=C4)F)C=C2 1 2.859 6 1 0 -14.8585052404644 7532041 C1=CC=C(C(=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4)F 1 2.859 6 1 0 -16.9226276394681 7532038 CCOC1=CC=CC=C1NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4 1 2.986 6 2 0 -19.9927419888897 7532034 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4 1 2.637 6 2 0 -15.9833484750737 7532032 COC1=CC=CC=C1NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4 1 2.637 6 2 0 -19.1994912400097 7532020 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4 1 3.139 6 1 0 -15.5703822659296 7532016 CC1=CC=CC=C1NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4 1 3.139 6 1 0 -18.2324692684467 7532015 C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4 1 2.653 6 1 0 -15.8244306308277 7531986 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4 1 3.552 6 2 0 -15.8417065899813 7531966 C1=CC=NC(=C1)C2=NN3C(=NN=C3SCC(=O)NC4=C(C=C(C=C4)F)F)C=C2 1 3.493 6 1 0 -13.1354022716365 7531962 COC1=CC=C(C=C1)C(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4 1 3.685 5 2 0 -8.58401720362149 7531957 C1CCN(C1)C(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4 1 2.172 6 1 0 -14.4315261136645 7531955 C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4 1 3.41 6 1 0 -17.7122079250701 7531947 C1=CC=C(C(=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4)F 1 3.287 6 1 0 -14.8687340538204 7531944 CCOC1=CC=CC=C1NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4 1 3.414 6 2 0 -17.938848403242 7531941 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4 1 3.065 6 2 0 -13.8584361189384 7531940 COC1=CC=CC(=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4 1 3.065 6 2 0 -13.5991249507756 7531937 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COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 2.971 3 3 -12.4959678850145 7518961 CC1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F 1 3.582 4 1 0.581794130350904 7518526 C1=CC(=CC(=C1)F)C2=NC(=CS2)CCNC(=O)C3=CC=CO3 1 3.066 2 2 -1.94381308972534 7517548 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCCN3C(=O)C)C=C2)C 1 3.147 2 3 -9.02036647686043 7516647 CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3CC3)C 1 2.617 2 5 0 -13.5066290066857 7516121 COC1=C(C=C(C=C1)CNC(=O)CNC(C2=CC=CC=C2)C3=CC=CC=C3)OC 1 3.59 2 3 -15.2954329867551 7515944 CCN1C/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O 1 1.115 2 2 0 -0.934355784540206 7515619 CCNC(=O)COC1=C(C=C(C=C1)/C=C/2\COC3=CC=CC=C3C2=O)OC 1 2.775 1 5 -9.6726131061517 7515484 CC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)OC)[N+](=O)[O-] 1 4.066 1 4 -2.46379077488614 7515255 COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCO3)Cl)O 1 3.876 0 5 0.525995722631233 7515081 C1=CC=C(C(=C1)C(=O)/C=C/C2=CC=C(C=C2)F)Br 1 4.655 0 1 1.61934079640849 7515010 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC=CC=C2 1 1.792 2 4 0 -13.6978903040584 7514876 C1=CC(=CN=C1)C(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl 1 3.88 1 1 3.30751663855395 7514833 CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)OCC(=O)N(C)C 1 3.041 1 5 -5.42689117324241 7514664 CC1=CC=CC=C1N=C2N(C(=O)CS2)CC3=CC=CC=C3 1 4.158 2 1 -4.47434906484223 7514390 C1=CC=C(C(=C1)S(=O)(=O)NC2=CC=CC(=C2)C#N)Cl 1 2.86 2 2 -4.69473650343534 7514214 CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3CC3)OC 1 1.119 3 5 0 -17.0611299955612 7514097 C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCC(=O)O)NCCC(=O)O 1 1.885 2 6 0 -6.05537472015679 7510394 CC1=CC(=NC(=N1)NNS(=O)(=O)C2=CC(=C(C=C2)OC)Br)C 1 1.742 4 3 0 -5.81397850475811 7510387 C1=CC(=CC=C1NS(=O)(=O)C2=CC=C(C=C2)Cl)N3C=NN=N3 1 1.868 5 2 0 -11.2453216200494 7510344 COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)N 1 1.95 1 5 0 -10.1947819206799 7510298 C1CN(CCN1C/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl 1 3.825 2 2 -6.37762710542949 7510293 C1CCC(=CC1)CCNS(=O)(=O)C2=CC=CC=C2Br 1 3.816 1 2 -8.40570136985473 7510030 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NC2=CC3=C(CCC3)C=C2 1 2.599 3 3 -14.1011070929973 7509966 C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC=C2Cl 1 0.489 2 3 0 -19.3822808549474 7509955 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)/NNC(=O)C3=CC=CC=C3O 1 1.174 4 5 0 -5.9700670488838 7509947 CCN(CC(=O)NCC1=CC=CS1)S(=O)(=O)C2=CC=CC=C2Cl 1 2.343 2 3 -21.456917962177 7509684 C/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)/NNC3=CC=CC=C3 1 2.158 4 4 0 -4.22120126129046 7509109 C1CN(CCN1C(=O)COC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CC=CO3 1 2.556 2 5 0 -10.0152384125134 7506773 CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC 1 2.839 3 4 0 -23.8056501256735 7505989 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC3=CC=C(C=C3)C#N 1 2.08 2 4 -17.2286914951585 7505713 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)/NC3=CC4=C(CCC4)C=C3 1 4.066 3 4 0 -9.20217990907304 7505581 C1CCC(=CC1)CCN2C(=O)/C(=C\NNC(=O)C3=CC=CC=C3)/C(=O)NC2=O 1 1.646 4 4 0 -11.7193827815974 7505307 CC1=CC=C(S1)C(=O)OCC2=CC(=O)N3C(=CSC3=N2)C 1 2.162 2 3 -12.6481234109067 7505151 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(S2)C)OCC 1 3.413 1 5 -17.8138683338938 7504645 C1=CC=C2C(=C1)N=C(O2)/C(=C/C3=CC(=CS3)Br)/CC(=O)O 1 4.075 1 3 2.91170849849731 7503613 CC(=O)CCSC1=NC=NC2=C1C=C(S2)C3=CC=CC=C3 1 3.833 2 1 -7.53051731679135 7503590 C1=CC(=CC=C1C(=O)OCCCOC(=O)C2=CC=C(C=C2)O)O 1 2.767 0 6 -2.534943644782 7503587 C1=CC=C(C(=C1)C(=O)OCCCOC(=O)C2=CC=CC=C2O)O 1 2.767 0 6 -2.25145033159879 7503584 CC(=O)NC1=CC=C(C=C1)C(=O)OCCCOC(=O)C2=CC=C(C=C2)NC(=O)C 1 1.492 2 6 0 -8.586781248699 7503572 COC1=CC(=CC(=C1)C(=O)OCCCOC(=O)C2=CC(=CC(=C2)OC)OC)OC 1 3.186 0 8 0 -7.27605379270097 7503561 C1=CC(=CC=C1C#N)OCC(=O)OCCCOC(=O)COC2=CC=C(C=C2)C#N 1 2.68 2 6 0 -8.65455525962373 7503197 C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC(=O)NC(=O)N 1 1.92 3 5 0 -6.40692881074741 7502932 COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3)OC 1 2.692 4 3 0 -12.6218143747688 7502931 COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3)OC 1 3.121 4 3 0 -9.72440291464915 7502918 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3 1 3.009 4 3 0 -9.52306027443316 7502916 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 3.667 4 1 -10.2941748622703 7502868 COC1=CC=CC(=C1)C2=NN=C(C=C2)SCC(=O)NCCC3=CC=CC=C3 1 4.187 3 2 -9.03644593100803 7502863 CC(=O)COC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3 1 2.868 1 4 -4.35809708715739 7502856 C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC(=O)N 1 2.14 2 4 -4.74550551057745 7502837 CC1=CSC(=N1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)F 1 3.361 4 1 -7.25139906907149 7502835 C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)F 1 4.409 3 1 -10.0939027882828 7502810 CC1=CC(=NO1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)Br 1 3.763 4 2 -15.5256310446662 7502785 COC1=CC=CC=C1C2=NN=C(C=C2)SCC(=O)NCCC3=CC=CC=C3 1 4.187 3 2 -14.4428645705356 7502784 COC1=CC=CC=C1C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.634 3 4 0 -15.7464441178345 7502726 CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SCC 1 3.921 2 1 -1.52742374638976 7502724 CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SC 1 3.572 2 1 0.195418605163363 7502691 C1CCC(C1)NC(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.596 4 3 0 -11.9183770518795 7502688 CCSC1=NN=C(C=C1)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.483 3 2 -3.03484545275094 7502647 COC1=CC=C(C=C1)C2=NN=C(C=C2)SC 1 3.223 2 1 0.961641756871385 7502637 COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=NC=CS3)OC 1 2.84 4 3 0 -12.151267539713 7502456 C1=CC(=C(C(=C1)F)C(=O)NCC2=NN=C(O2)SCC(=O)NCC3=CC=CO3)F 1 1.508 4 4 0 -27.0458765893444 7502448 CC1CCN(CC1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=C(C=CC=C3F)F 1 2.118 4 3 0 -26.5722946782475 7502446 C1CCN(C1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=C(C=CC=C3F)F 1 1.41 4 3 0 -23.528716560175 7502325 C1=CC(=CC=C1C(=O)NCC2=NN=C(O2)SCC(=O)NC3=NC=CS3)F 1 1.111 5 3 0 -22.424315246358 7502323 C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=C(C=C3)F 1 2.121 4 3 0 -23.9381422116339 7502296 C1CCCN(CC1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=C(C=C3)F 1 2.116 4 3 0 -22.2115166929202 7502215 C1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NCC3=CC=CC=C3Cl 1 2.58 4 3 0 -26.1629043273248 7502163 CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3 1 2.401 4 3 0 -24.6308518998289 7502161 C1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NCC3=CC=C(C=C3)F 1 2.121 4 3 0 -23.9189748743637 7502160 C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3 1 1.915 4 3 0 -25.7386982666567 7502106 CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3 1 2.114 4 3 0 -22.822192505144 7502122 C1CCN(C1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3 1 0.999 4 3 0 -23.3645727717268 7502024 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(C4=CC=CC=C4O3)NC(=O)CCl 1 2.648 2 5 0 -4.97763923134623 7501772 C1CCC(CC1)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)CO 1 3.781 1 4 -9.68220081871187 7501725 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43 1 3.213 5 3 0 -29.3666381420475 7501723 C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCCC4=CC=CC=C4 1 4.402 4 2 -24.4498609626564 7501716 C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4CCCC4 1 3.9 4 2 -23.337183502683 7501697 C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCOCC4 1 2.391 4 3 0 -23.0919441151946 7501695 C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCC4 1 3.165 4 2 -21.1691791512509 7501598 CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2CCOC)NC4=CC=CC=C43 1 3.125 4 3 0 -20.9709985076876 7501597 COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCOCC4 1 1.644 4 4 0 -19.8501853535588 7501595 COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCCCC4 1 3.329 4 3 0 -18.2818889037832 7501594 COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCCC4 1 2.873 4 3 0 -18.2818889037832 7501593 COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCC4 1 2.417 4 3 0 -17.9274203896151 7501519 CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=NOC(=C4)C 1 2.945 5 3 0 -23.5747311175061 7501513 CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCCC4=CC=CC=C4 1 4.134 4 2 -18.657953938115 7501481 CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCOCC4 1 2.123 4 3 0 -17.3000370906531 7501480 CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCCCC4 1 3.809 4 2 -15.7317406408776 7501462 CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N(C)C4=CC=CC=C4 1 4.012 4 2 -14.7102733950909 7500956 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=C(C=C(C=C3)O)O 1 3.167 2 5 0 -7.08817285593675 7500946 CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)O)O)C3=CC=CC=C3 1 4.017 3 5 0 -6.14002213240469 7500893 C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C(C=C(C=C4)O)O 1 3.338 0 5 0.670017547243716 7500892 C1=CC(=CC=C1OCCCOC(=O)C2=C(C=C(C=C2)O)O)F 1 3.101 0 5 1.84637591946411 7500604 CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 3.901 4 4 0 -13.2472621891143 7499814 CC1CCC(CC1)NC(=O)CSC2=NC(=CS2)C 1 2.821 2 1 -19.8544288179265 7499690 C1CN(CCN1C(=O)CSC2=NN=CS2)C(=O)C3=CC=CO3 1 0.387 4 3 0 -14.3665069029164 7499340 CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(O2)[C@H](C)NC(=O)OC(C)(C)C)C 1 3.275 4 4 0 -21.7616845606805 7498980 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)N3CCCCS3(=O)=O)OC 1 2.488 2 5 0 -14.0711636415636 7498978 C1CCS(=O)(=O)N(C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.656 3 3 -3.5356073274188 7498689 C1CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)N(C1)C(=O)C4=CC=CS4 1 4.089 2 2 -17.3864362089171 7498683 COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC=CS4 1 4.073 2 3 -18.3570949979515 7498674 C1CC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)N(C1)C(=O)C4=CC=CS4 1 4.295 2 2 -15.90609343234 7498672 C1CC2=C(C=CC(=C2)NC(=O)C3=C(C=CC=C3Cl)F)N(C1)C(=O)C4=CC=CS4 1 4.959 2 2 -17.9650403030161 7498670 C1CC2=C(C=CC(=C2)NC(=O)C3=C(C=CC=C3F)F)N(C1)C(=O)C4=CC=CS4 1 4.5 2 2 -18.1956167617251 7498662 CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC=CS4 1 4.575 2 2 -19.2257861230449 7497069 C/C(=C\1/C(=O)NC(=O)N(C1=O)C2CCCCC2)/NNC(=O)C3=CC=CC=C3O 1 1.449 4 5 0 -8.07742440055517 7494639 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(S3)CCCCC4 1 4.649 2 2 -7.30850557648323 7494504 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 3.397 3 2 -5.73226434350872 7494496 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=C(C=C3)N=CS4 1 3.899 3 1 1.74279790201886 7493852 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C1CCN(C1)C2=CC=CC=C2NC(=O)CC3=CC(=C(C=C3)Cl)Cl 1 4.601 2 1 -3.18202257578748 7491265 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O 1 2.882 2 4 -20.6699233771979 7491262 CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O 1 3.104 2 4 -18.1669365992656 7491037 COC(=O)C1CCN(CC1)C(=O)CN2N=C(N=N2)C3=CC(=CC=C3)F 1 1.304 5 3 0 -3.95175083561525 7490670 C1CCC(CC1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N 1 2.764 2 4 -12.8512402534998 7488504 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl 1 1.728 4 3 0 -9.11819962261366 7488377 CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N(C)C3CCCCC3 1 2.812 4 3 0 -18.7208259123992 7488328 C1CSC2=NC(=CN21)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F 1 3.465 3 2 -0.791030755642852 7488233 C1CSC2=NC(=CN21)C3=CC(=CC=C3)NS(=O)(=O)C4=C(C=C(C=C4)F)F 1 3.67 3 2 4.38494960482462 7488220 C1CSC2=NC(=CN21)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4 1 3.259 3 2 2.42187284400356 7488219 C1CSC2=NC(=CN21)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4F 1 3.465 3 2 1.4239483395447 7487727 C1=C(OC(=C1)Br)C(=O)NC2=C(NC(=NC2=O)SCCO)N 1 0.147 4 4 0 -14.0365372514126 7487714 CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(O2)Br 1 1.035 4 3 0 -13.0331456752547 7487712 CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(O2)Br 1 0.687 4 3 0 -10.6118744083908 7487697 C1=COC(=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)O)N 1 -0.4 4 5 0 -15.9710165246387 7487241 COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)C3=CC=CC=C3)N 1 1.963 4 4 0 -12.7130779278103 7487118 C1=CC=C(C(=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)O)N)F 1 0.41 4 4 0 -18.3147143148218 7487058 C1CCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F 1 1.112 5 3 0 -19.8240743552491 7487033 CC(C)(C)NC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2F 1 0.92 5 3 0 -23.7317307473001 7486753 C1CCC(CC1)CNC(=O)COC(=O)C2=CC=CO2 1 2.329 1 4 -11.2866838677115 7486750 CC1=C(C(=CC=C1)NC(=O)CNC(=O)COC(=O)C2=CC=CO2)C 1 1.749 2 5 0 -12.2334617281727 7486278 C=CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N2CCCC3=CC=CC=C32 1 4.126 1 4 -14.6907223547966 7486129 C=CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CS2 1 3.136 1 4 -18.2406408086915 7486093 COC1=CC=CC(=C1)CNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OCC=C 1 3.38 1 5 -15.8337083319823 7485399 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)/C=C/C3=CC=CC=C3F 1 2.835 3 4 0 -3.41954988058289 7484879 C1CCN(C1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3 1 0.45 5 3 0 -18.8274080165941 7484803 CC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC5=CC=CC=C5O4 1 3.548 3 4 0 -0.510286959051669 7484766 CC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC(=C(C=C4)F)F 1 3.364 3 3 -4.69213954269375 7484758 CC1=CC(=CC=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC5=CC=CC=C5O4 1 3.548 3 4 0 2.33592515721931 7484716 CC1=CC=CC=C1N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC5=CC=CC=C5O4 1 3.548 3 4 0 -4.72970952706458 7484655 C1C2=C(N(N=C2CS1(=O)=O)C3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5O4 1 3.062 3 4 0 -1.3451924666517 7484639 C1C2=C(N(N=C2CS1(=O)=O)C3=CC=CC=C3)NC(=O)COC4=CC=CC=C4F 1 2.508 3 4 0 -6.7850246582419 7484624 COC1=CC=C(C=C1)OCC(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=CC=C4 1 2.286 3 5 0 -6.92027449273591 7484622 COC1=CC=CC=C1OCC(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=CC=C4 1 2.286 3 5 0 -10.4140500027216 7484613 CCOC1=CC=C(C=C1)OCC(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C 1 1.989 3 5 0 -9.96506567650776 7484601 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 1.751 4 5 0 -11.1136115345756 7484600 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)CC3=CC=C(C=C3)Cl 1 2.521 3 3 -7.1972150566316 7484598 CCOC1=CC=C(C=C1)CC(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C 1 2.189 3 4 0 -10.1984031080706 7484596 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)COC3=CC=C(C=C3)F 1 1.862 3 4 0 -8.07222712352223 7484594 CC(C)C1=CC=C(C=C1)OCC(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C 1 2.851 3 4 0 -8.50064445233584 7484591 CC1=CC=C(C=C1)OCC(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C 1 2.143 3 4 0 -8.78410414898748 7484589 CC1=CC(=CC=C1)OCC(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C 1 2.143 3 4 0 -7.69226135984869 7484587 CC1=CC=CC=C1OCC(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C 1 2.143 3 4 0 -8.70724688944368 7484584 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)COC3=CC=C(C=C3)OC 1 1.64 3 5 0 -9.34234692933118 7484577 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=CC=C(C=C3)C(F)(F)F 1 2.764 3 3 -5.37879688756415 7484575 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=CC(=C(C=C3)F)F 1 2.232 3 3 -7.78070448987666 7481717 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)[C@H](C)NC(=O)OC(C)(C)C)C 1 3.275 4 4 0 -25.5302849295656 7481645 CC1=CC=CC=C1N2C(=O)/C(=C(\C)/NN3CCCCCC3)/C(=O)NC2=O 1 2.149 4 3 0 -6.94791035996842 7481503 CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=CC=C3 1 3.272 3 2 -12.3199900961452 7481245 C1=CC=C(C=C1)COC2=CC=CC=C2/C=C/3\C(=O)N(C(=S)S3)CCCC(=O)O 1 4.665 1 4 -12.5947649554629 7481176 C1=CC=C2C(=C1)NC(=N2)/C(=C\C3=CC=C(C=C3)C(=O)O)/C4=NC5=CC=CC=C5S4 1 5.337 3 2 0.142240499548458 7481152 CCOC1=CC=CC=C1NC(=O)/C(=C/C2=CN=CC=C2)/C#N 1 2.103 3 2 -16.1861695096768 7480839 C1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]3[C@@H]([C@@H]4N2N=CC=C4)C(=O)N(C3=O)C5=CC=C(C=C5)F 1 1.615 4 3 0 -0.153943710200974 7480453 C1=CC=C(C=C1)/C=C/C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCC(=O)O 1 1.339 2 5 0 -14.9887779855695 7480159 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)OCC3=CC=CO3 1 2.786 1 6 0 -12.2147299554942 7480032 C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)C4=NC=CC=N4 1 1.181 4 3 0 7.67766686893035 7479827 C1CN(CC2=CC=CC=C21)CC3=CC4=C(C=C3O)OCO4 1 3.087 1 3 5.31538258032349e-002 7479635 CC1=CC(=C(C=C1)NC(=O)CCCN2C3=CC=CC=C3OC2=O)O 1 2.996 2 4 -4.22833781842257 7479631 CC1=CC(=C(C=C1)NC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3)O 1 2.844 2 3 -8.23499452598893 7479409 COC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2F)S(=O)(=O)N3CCCCC3 1 2.673 2 5 0 -17.662071810986 7478965 CC1=CC(=C(O1)C)C(=O)NNC(=O)/C=C/C2=CC(=CC=C2)OC 1 1.717 2 4 0 -8.50552592540041 7478949 CC1=CC(=C(O1)C)C(=O)NNC(=O)CC2=CC=C(C=C2)Cl 1 1.965 2 3 0 -8.91859838422113 7478941 CC1=CC(=C(O1)C)C(=O)NNC(=O)/C=C/C2=CC=CO2 1 1.129 2 4 0 -9.08550368998301 7478939 CC1=CC(=C(O1)C)C(=O)NNC(=O)CCCOC2=CC=CC=C2 1 1.671 2 4 0 -13.8563234778105 7478817 C1=CC(=CC=C1CNC(=O)CNC(=O)C2=CC=C(O2)Br)F 1 1.85 2 3 0 -13.5779321760166 7478792 C1=CC(=CC=C1CCNC(=O)CNC(=O)C2=CC=C(O2)Br)F 1 2.171 2 3 -12.9863786641509 7478715 C1CN(CCN1C2=CC=CC=N2)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 2.624 4 3 0 -4.06055940151253 7478690 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 1.617 5 2 0 -6.47871585364552 7478561 COC1=NC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)F 1 2.66 2 2 -5.6369226688448 7478560 COC1=NC=C(C=C1)NC(=O)/C=C/C2=CC(=CC=C2)OC 1 2.438 2 3 -6.12480589205852 7478550 COC1=NC=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2 1 2.454 2 2 -6.52074351139441 7477474 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC=CC=N3 1 2.929 3 3 -13.1812732675596 7477399 C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=CC=CC=N2 1 1.471 2 4 0 -12.5003390113036 7477362 CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=N2 1 3.375 2 4 -19.3748233275885 7476690 CC1=NC2=C(C(=NN2C(=C1)N3CCCCCC3)C)C4=CC(=C(C=C4)OC)OC 1 4.228 4 2 -6.73456331436153 7475842 CCCCC1=NC2=C(C(=N1)SCC(=O)NC3CCCC3)C(=O)N(C(=O)N2C)C 1 2.814 5 3 0 -23.0246361268987 7475839 CCCCC1=NC2=C(C(=N1)SCC(=O)N3CCOCC3)C(=O)N(C(=O)N2C)C 1 1.306 5 4 0 -22.7793967394102 7475837 CCCCC1=NC2=C(C(=N1)SCC(=O)N3CCCCC3)C(=O)N(C(=O)N2C)C 1 2.535 5 3 0 -21.2111002896346 7475836 CCCCC1=NC2=C(C(=N1)SCC(=O)N3CCCC3)C(=O)N(C(=O)N2C)C 1 2.079 5 3 0 -20.8566317754666 7475830 CC(C)CC1=NC2=C(C(=N1)SCC(=O)NC3CCCC3)C(=O)N(C(=O)N2C)C 1 2.61 5 3 0 -20.2179565573634 7475827 CC(C)CC1=NC2=C(C(=N1)SCC(=O)N3CCOCC3)C(=O)N(C(=O)N2C)C 1 1.101 5 4 0 -19.972717169875 7475825 CC(C)CC1=NC2=C(C(=N1)SCC(=O)N3CCCCC3)C(=O)N(C(=O)N2C)C 1 2.331 5 3 0 -18.4044207200994 7475824 CC(C)CC1=NC2=C(C(=N1)SCC(=O)N3CCCC3)C(=O)N(C(=O)N2C)C 1 1.875 5 3 0 -18.0499522059313 7475460 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=O)N2CCOC)SCC3 1 0.596 4 4 0 -27.3923175244263 7475453 COCCN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3=CC(=CC=C3)F 1 1.663 3 3 0 -16.3423627471109 7475448 COCCN1C(=O)C2=C(CCS2)N=C1SCC(=O)N3CCCCCC3 1 1.46 3 3 0 -19.5493270477978 7475424 CCN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3=C(C=CC(=C3)OC)OC 1 1.904 3 4 0 -18.2445305753499 7475422 CCN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3=CC(=CC=C3)OC 1 1.921 3 3 0 -15.6394809642922 7475415 CCN1C(=O)C2=C(CCS2)N=C1SCC(=O)N3CCOCC3 1 0.254 3 3 0 -18.5674752346677 7475414 CCN1C(=O)C2=C(CCS2)N=C1SCC(=O)N3CCCCCC3 1 1.94 3 2 0 -16.9991787848922 7475389 CN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)N 1 0.59 4 3 0 -18.3200820188489 7475379 CN1C(=O)C2=C(CCS2)N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.363 3 4 0 -19.8225647495162 7475375 CN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3=CC(=C(C=C3)OC)OC 1 1.555 3 4 0 -19.5823659359745 7475370 CN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3=CC=C(C=C3)F 1 1.794 3 2 0 -13.5403701614763 7475369 CN1C(=O)C2=C(CCS2)N=C1SCC(=O)N3CCOCC3 1 -9.5e-002 3 3 0 -17.2365022717736 7475368 CN1C(=O)C2=C(CCS2)N=C1SCC(=O)N3CCCCCC3 1 1.591 3 2 0 -15.668205821998 7475218 CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)NC2=CC=CC3=CC=CC=C32 1 1.014 3 4 0 -8.26530097403542 7475223 CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)NC2CCCCCC2 1 0.843 3 4 0 -14.0523774749031 7475224 CCN(C1CCCCC1)S(=O)(=O)C2=C(N(C(=O)N(C2=O)C)C)C 1 0.942 3 4 0 -13.2464685013814 7475201 CC1CCN(CC1)S(=O)(=O)C2=C(N(C(=O)N(C2=O)C)C)C 1 -9.6e-002 3 4 0 -19.4414144830181 7475179 CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)N2CCCC2 1 -0.804 3 4 0 -16.365457715485 7475174 CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)N2CCCCC2 1 -0.348 3 4 0 -16.719926229653 7475171 CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)NC2CCCCC2 1 0.387 3 4 0 -14.0523774749031 7475138 CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)NCC2=CC=C(C=C2)F 1 -0.196 3 4 0 -7.29003104367259 7475135 CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)NC2CCCCC2 1 -0.127 3 4 0 -12.9061577432985 7475131 CC1=CC2=NC(=CN2C=C1)CNS(=O)(=O)C3=CC=CS3 1 1.552 3 2 0 -9.4617277039992 7475023 CC(C)C(=O)NC1=C(C2=C(S1)CCC2)C(=O)NC 1 2.001 2 2 -20.3763535353708 7475011 CNC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O 1 1.696 3 4 0 -25.1257130580888 7474993 CNC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CO3 1 1.931 2 3 0 -15.387101439411 7474792 CNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=COCCO3 1 0.906 2 4 0 -18.0356789595705 7474654 CC1=CC(=C(C=C1)C)OCC(=O)NCC2=C(C(=C(C=C2)C)NC(=O)C)C 1 3.522 2 3 -11.6247101010179 7474639 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CN(C3=CC=CC=C32)C)/C(=O)OCCN(C)C 1 3.766 3 3 -7.27431020826248 7474456 CC1=NN=C(S1)SCC(=O)N(C)CC(=O)NC2=CC=CC=C2Cl 1 1.673 4 2 0 -22.3362481596525 7474380 CC1CCC(CC1)NC(=O)CSC2=NN=C(S2)C 1 2.276 3 1 -22.3393453804585 7474059 CC1=CC=C(C=C1)CNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl 1 3.717 3 1 -2.65180713939131 7473462 C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)NC4=NC=CS4 1 3.112 2 2 -4.08396992051438 7473408 COC1=CC(=C(C=C1)OCC(=O)N2CCCC2=O)[N+](=O)[O-] 1 0.996 2 6 0 -11.3116629661396 7472903 CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2)C 1 3.652 1 4 -11.4810927006248 7472344 CC(C)(C)C(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5CCCCC5 1 3.616 2 3 -7.03087447468711 7472371 CC(C)SC1=NN=C(O1)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C 1 3.949 3 3 -12.4363485336119 7472268 CCSC1=NN=C(O1)[C@H](C(C)C)NC(=O)OC(C)(C)C 1 2.858 3 3 -17.233776037466 7472265 C1C/C(=C/NC2=CC(=CC=C2)F)/C(=O)C1 1 2.316 1 1 -3.08972417298922 7472244 CC(C)C[C@@H](C1=NN=C(O1)SCC2=CC=CC=C2)NC(=O)OC(C)(C)C 1 4.482 3 3 -21.2752853478076 7472218 CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2=NN=C(O2)SCC(=O)N 1 2.076 4 4 0 -18.5481708043777 7472115 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)/NNC(=O)C3=CC=CC=C3 1 1.416 4 4 0 -9.55895316309567 7471903 C/C(=C\1/C(=O)NC(=O)N(C1=O)C2CCCCC2)/NNC(=O)C3=CC=CC=C3Cl 1 2.355 4 4 0 -12.1282890728096 7471762 COCCOC(=O)N/C=C\C1=NC(=O)C2=CC=CC=C2N1 1 0.549 3 4 0 -8.65784914526548 7469416 CC1=C(SC(=N1)C)C(=O)OCC(=O)NC2=CC=CC=C2 1 1.612 2 3 0 -12.1994839587518 7469397 CC1=C(SC(=N1)C)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N 1 1.884 3 3 0 -21.0983835415398 7469275 C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=NC=CN=C2N 1 0.323 5 3 0 -13.9634416581496 7469233 CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=NC=CN=C3N 1 2.097 4 3 0 -9.05504836382688 7469206 C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=NC=CN=C2N 1 -0.502 5 4 0 -16.5851872592108 7469205 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)C2=NC=CN=C2N 1 -7.e-003 5 4 0 -17.1684429641991 7469126 C=CCNC1=NC(=CS1)C(=O)OCC(=O)C2=CC(=CC=C2)Br 1 3.068 2 3 -13.3736893123378 7468971 CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N3CCCC3 1 2.72 1 4 -10.4400593366999 7466771 CC1=CC(=C(C=C1)NC(=O)COC(=O)CSCC(=O)NC2=NOC(=C2)C)C 1 1.886 3 5 0 -24.7325113339529 7466646 CC1=CC(=NO1)NC(=O)CSCC(=O)OCC(=O)NC2=CC=CC=C2C(=O)C 1 0.653 3 6 0 -27.3934344576439 7465924 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CN3N=C(N=N3)C4=CC=C(C=C4)F 1 2.098 5 3 0 -13.3687676142343 7464492 C/C(=C\C1=CC=CC=C1)/C=NN2CCN(CC2)C3=CC=C(C=C3)Cl 1 4.664 3 0 3.17495154067 7463872 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.146 3 6 0 -17.7304524710891 7463806 C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.087 2 6 0 -14.7315940973518 7463379 C1OC2=C(O1)C=C(C=C2)C3=C(OC4=CC=CC=C4C3=O)N 1 2.415 1 4 2.18638374601215 7462722 C/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)/NC3=CC4=C(CCC4)C=C3 1 3.542 3 4 0 -8.61082155930809 7461435 C/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)/NN3CCCCCC3 1 1.646 4 4 0 -6.75053262848093 7461390 CC1=C(C=C(C=C1)N2C(=O)/C(=C/NNC(=O)C3=CC=NC=C3)/C(=O)NC2=O)C 1 0.717 5 4 0 -5.94349437042329 7461306 CCCCN1C(=O)/C(=C(\C)/NC2=CC3=C(CCC3)C=C2)/C(=O)NC1=O 1 3.311 3 3 -10.339213388989 7461210 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)/NNC(=O)C3=CC=CC=C3O 1 1.697 4 5 0 -6.56142539864874 7461143 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)/NNC3=CC=CC=C3 1 2.181 4 3 0 -4.69865939976429 7461113 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NC2=CC=CC(=C2)C(F)(F)F 1 3.008 3 3 -6.71248932282729 7461106 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)/NNC3=CC=CC4=CC=CC=C43 1 3.09 4 3 0 -4.37417892862752 7460987 C[C@@H](C1=NN=C(O1)SCC(=O)NC2=CC(=CC=C2)Cl)NC(=O)OC(C)(C)C 1 2.967 4 4 0 -20.0190745758811 7459571 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)NCC3=CC=C(C=C3)OC)C 1 1.389 5 4 0 -19.5688008210246 7459557 CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 2.341 5 3 0 -15.5219926133841 7459531 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl)C 1 2.07 5 3 0 -17.4048788699287 7459424 CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 2.351 4 4 0 -17.1088733928775 7459316 C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=C(C=CC=C3F)F 1 3.26 3 2 -10.9357809149615 7459101 C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 2.622 2 5 0 -10.0090138708289 7458270 CC1=CC(=C(C=C1)C)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3 1 3.546 2 4 -8.55646963322127 7457960 C1COC2=C(O1)C=CC(=C2)SCC(=O)NC3=CC=C(C=C3)Br 1 3.542 1 3 -7.89554649309994 7457897 CCCNC(=O)NC(=O)CSC1=CC2=C(C=C1)OCCO2 1 1.869 2 4 0 -13.3943562216387 7457372 C1=CC=C(C=C1)CCNC(=O)CSC2=NNC(=N2)C3=CC=CS3 1 3.495 4 1 -12.5043122068156 7477217 COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=N2)OC 1 2.186 1 5 -15.5415876746209 7477211 C1=CC=NC(=C1)C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl 1 2.271 2 3 -11.8268652920232 7477200 C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=CC=N4 1 3.1 1 3 -5.25466986736672 7456395 CC1=C(C=C(C=C1)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C 1 3.546 2 4 -7.12623824342727 5790432 COC1=CC=CC=C1/C=C/2\C(=O)N(C(=O)N2)CC(=O)OC 1 0.633 2 5 0 -8.93789446791948 5790220 COC(=O)CNC(=O)COC(=O)/C=C/C1=CC=CS1 1 0.873 1 5 0 -16.0625858566025 5790418 CCC1=NC2=CC=CC=C2C(=C1)C(=O)NNC3=C4C=C(C=CC4=NC3=O)[N+](=O)[O-] 1 1.993 5 4 0 -9.48591520386149 5790282 CC1=CC(=C(O1)C)C(=O)N/N=C\2/C3=CC=CC=C3N(C2=O)C 1 1.365 3 3 0 -5.7535619425582 5790077 C1=CSC(=C1)C(=O)NCC(=O)NNC2=C3C=C(C=CC3=NC2=O)Br 1 0.581 4 3 0 -14.1263699851784 5789987 C1=CC(=CC=C1C2=CSC(=N2)N/C=C/3\C=C(C=C(C3=O)Cl)Cl)Cl 1 3.972 2 1 6.22758238670033 5789932 CCOC(=O)C1=C(S/C(=C\C2=CC=CC=N2)/C1=O)NC3=CC=C(C=C3)Cl 1 4.282 2 3 -0.950917479213317 5789620 COC1=CC(=C(C=C1)OC)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.627 2 5 0 -17.9129998962208 5789606 CC1=CC=C(O1)/C=C\2/C(=O)N(C(=S)S2)CC3CCCO3 1 2.946 1 3 -11.3000860481999 5789230 CC1=C(C=C(C=C1)N=C2N(C(=O)/C(=C\C3=CC(=CC=C3)OCC(=O)O)/S2)C)C 1 4.422 2 4 -7.49355598016153 5788694 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)/C=C/C2=CC=CC=C2Cl)N 1 1.374 3 5 0 -11.99247213417 5788506 CCC1=NC2=CC=CC=C2C(=C1)C(=O)NNC3=C4C=C(C=C(C4=NC3=O)Br)Br 1 3.156 4 2 -9.673995340079 5788411 COC1=CC=C(C=C1)C(=O)NNC2=NC(=O)/C(=C\C(=O)OC)/S2 1 1.356 3 5 0 -7.17517395340017 5788401 CN1CCN(CC1)CC2=C3C(=C/C(=C\4/C=CC=CN4)/C(=O)O3)C=CC2=O 1 0.356 3 3 0 -3.34977658756683 5788341 COC1=CC(=C/C(=C\NNC(=O)C2COC3=CC=CC=C3O2)/C1=O)[N+](=O)[O-] 1 0.209 3 7 0 -1.69814932047333 5788151 COC1=CC=C(C=C1)C(=O)/C=C\2/C(=O)N3CCC4=CC=CC=C4C3CN2 1 2.321 2 3 -6.12832756289346 5788116 CC1=C(C(C(=C(N1)C)C(=O)OCCOC)/C=C/C2=CC=CC=C2OC)C(=O)OCCOC 1 2.061 1 7 0 -16.2543762493333 5787963 CC1=C2C(C3=C(C4=CC=CC=C4C3=O)N=C2N(N1)C5=CC=CC=N5)C6=CC=CC=C6Cl 1 3.997 4 1 -7.29394709361059 5787830 CC1=C(C=CC(=C1)Cl)OC2=CC=CC(=C2)C(=O)/C(=C/N(C)C)/C#N 1 4.274 2 2 -0.371819691001698 5787676 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC=CN3 1 2.855 1 3 -0.567078825250375 5787636 CCCC1=C(N=NN1C2=NON=C2N)C(=O)NNC(=C3C=CC(=O)C=C3)C 1 1.112 8 3 0 -21.7285168213338 5787510 C/1CC2C(C2C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])CC/C=C1 1 3.114 2 3 -3.143450015871 5787451 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)/C=C/C2=C(C=C(C=C2)OC)OC)N 1 0.677 3 7 0 -13.872481272507 5787357 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)F)N 1 0.915 3 5 0 -13.0274563989763 5787255 C1=CC=C(C=C1)/C=C/S(=O)(=O)NCC2=CC=CC=C2Cl 1 2.931 1 2 2.63021910967041 5787253 CC(C)N(CC1=CC=CO1)N/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3 1 1.274 4 4 0 -6.92067766764928 5787252 COC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCOCC4)OCC5=CC=C(C=C5)F 1 3.469 5 5 0 -26.4372592613518 5786987 CC(C)N1C2=CC=CC=C2/C(=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)/C1=O 1 4.591 3 2 -8.80933675319973 5786980 CN1CCN(CC1)C/C(=C/2\C(=O)OC(=N2)C3=CC=CC=C3)/N(C)C 1 1.596 4 2 0 -1.94081269121988 5786772 CC(C)(C)C1=CC=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)O 1 4.232 2 3 -2.80035166174343 5786740 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)CNC(=O)C3=CC=CO3 1 0.217 4 3 0 -11.3001086199758 5786641 CN(C)C1=CC=C(C=C1)/C=C(\C(=O)NCCCN2C=CN=C2)/NC(=O)C3=CC=CC=C3 1 1.961 5 2 0 -20.3515712016192 5786591 CC(C)CCNC(=O)CC1C(=O)N2C(=N1)C3=CC=CC=C3NC2=S 1 2.896 4 2 -19.4708465506482 5786464 C1C(=NC2=CC=CC=C2NC1=O)/C=C/C3=CC=NC=C3 1 1.85 3 1 0 -5.02285533072312 5786418 CN(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)/C=C/C3=CC=CC=C3Cl 1 3.629 2 3 -11.6726265830226 5786338 CC1=CC(=O)/C(=C/NNC(=O)C2=NNC(C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C=C1 1 2.419 4 2 -8.54309376394811 5786109 C1=CC=C(C=C1)/C=C/C(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.704 3 2 0 1.19373483190435 5786086 COC1=C/C(=C\2/C=C(NC(=N2)C3=CC=CC=C3)C(C(F)F)(F)F)/C(=O)C=C1 1 2.535 2 2 -4.2982003153442 5786057 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)(C4)O)OC 1 4.243 1 4 -6.23686839883095 5786055 CC1=CC(=CC=C1)N2C(=O)/C(=C\C3C(=NN(C3=O)C4=CC=CC=C4)C)/C(=O)NC2=O 1 2.402 4 4 0 -0.415820065769001 5785873 COC1=CC=C/C(=C\NNC(=O)CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)/C1=O 1 1.284 3 4 0 -15.6413002074636 5785948 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)CNC(=O)COC3=CC=CC=C3 1 0.657 4 3 0 -11.7577283731383 5785910 C1=CC=C(C=C1)CN2C(=O)C3=C(S2=O)C=C(C=C3NN)[N+](=O)[O-] 1 1.72 4 4 0 -2.2844376057254 5785755 CCC1=C/C(=C/2\C(=CNN2)C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)C=C1OC 1 1.563 3 4 0 -2.36602266001664 5785734 COC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=NC=C4)/O)OC 1 1.081 3 6 0 -13.3309591326318 5785659 CC(=O)/C=C\1/N(C(=O)C(S1)CC(=O)O)C2=CC=CC=C2 1 1.661 1 4 0 -7.69659206134848 5785464 CC1=CC=C(C=C1)N2C3=NC4=C(C(C3=C(N2)C)C5=CC=CC=C5OCC(=O)O)C(=O)CC(C4)(C)C 1 3.638 3 4 0 -21.5912572602866 5785387 CN1C=CC=C1/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)O 1 3.229 3 3 -9.08045640903211 5785332 C1=CC(=O)/C(=C/NNC(=S)NC2=C(C=C(C=C2)Cl)Cl)/C=C1[N+](=O)[O-] 1 3.48 4 3 0 -2.54028457431355 5785263 COC1=CC=C(C=C1)C2=CC(N3C(=N2)N=CN3)C4=CC=CO4 1 1.337 4 2 0 -4.29509177910988 5785241 COC1=CC=C(C=C1)CC(=O)NCC(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 0.762 4 3 0 -9.6319442689473 5785083 CC1=CC=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4 1 5.237 2 1 -0.215606845823565 5784901 C/C(=C(/C#N)\C(=O)CSC1=NNC(=N1)C2=CC=CS2)/N 1 1.653 5 1 0 -10.9086794467993 5784796 CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)NCC2=CC(=C(C=C2)OC)OC 1 1.303 2 6 0 -19.5797551103167 5784786 CN(C)C1=CC=C(C=C1)C2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(=O)N2CCCC(=O)O 1 2.589 2 5 0 -15.1473079532947 5784775 CC1=C2C(SCC(=O)N=C2N(N1)C3CCOC(C3)(C)C)C4=CC=C(C=C4)OC 1 1.695 3 3 0 -14.0360750377043 5784664 C1=CC(=CC(=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)C3=CC=C(C=C3)Br 1 3.35 2 7 0 -11.9244504808999 5784595 CCOC1=CC(=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Br)[N+](=O)[O-] 1 5.209 3 4 0 -7.88138686584977 5784294 CC1=CC(=C(C=C1)OCC(=O)NN/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)[N+](=O)[O-] 1 1.499 5 5 0 -8.39274184361948 5784065 C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)Cl)C(=O)/C=C/C3=CC=CC=C3 1 3.467 1 3 -9.10814662117908 5783707 CCN1CCCC1CN/C(=C/2\C(=O)C3=C(CCCC3)NC2=O)/O 1 1.502 3 3 0 -17.9009993212917 5783664 CCN(CC)CCN1C(/C(=C(\C2=CC=C(C=C2)F)/O)/C(=O)C1=O)C3=CC=C(C=C3)OCC 1 3.75 2 4 -6.93120736034592 5783532 CCCCCNC(=O)CC1C(=O)N2C(=N1)C3=CC=CC=C3NC2=S 1 3.101 4 2 -18.1115529638332 5783449 COC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)NC(=O)C4=CC=CS4)C5=CC=C(C=C5)OC 1 3.5 5 3 0 -3.85455133841725 5783261 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)OC 1 3.173 3 5 0 -16.7513830033979 5783248 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CO3 1 2.911 2 5 0 -20.4020655746823 5783061 CCCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)/C=C/C1=CC=CC=C1 1 0.102 3 6 0 -10.1292433227558 5782953 C=CCNC(=S)/C(=C(\C1=CC=CC=C1Br)/[O-])/[N+]2=CC=CC=C2 1 3.609 2 1 -8.14566003416996 5782902 CC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Br)C)O 1 5.255 1 3 4.53831202800572 5782869 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)/C=C/C3=CC(=C(C=C3)O)OC 1 3.051 2 7 0 -18.7754059873134 5782691 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)CNC(=O)C3=CC=CC=C3 1 0.822 4 2 0 -12.3500125329022 5782644 CC1=CC(=CC=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)OC 1 2.611 3 4 0 -11.6642996518634 5782642 COC1=CC(=O)/C(=C\2/C(=C(NC(=N2)N)C(F)(F)F)C3=CC=CC=C3OC)/C=C1 1 2.126 3 3 -5.45089532309484 5782612 C1C(=O)N(C(S1)C2=C(C(=CC=C2)Cl)Cl)C3=CC=CC=N3 1 3.956 2 1 -9.65474014942728 5782497 C1=CC(=CC=C1CN2C(=O)/C(=C/NCCCN3C=CN=C3)/C(=O)NC2=S)F 1 1.049 5 2 0 -3.56415708842237 5782471 CN(C)/C=C(\C#N)/C(=O)C1=CC(=CC=C1)OC2=CC=C(C=C2)Br 1 3.872 2 2 -2.96121565658145 5782470 C1=CC=C2C(=C1)C(=O)/C(=C/NC3=CC=C(C=C3)[N+](=O)[O-])/S2 1 2.93 2 3 -2.88849405114952 5782370 CCC(C)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CN3CCOC4=CC=C(C=C4)C)/C(=O)NC2=O 1 6.006 3 4 0 -2.98819749668265 5782231 CCOC(=O)CC1=CSC(=N1)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=C(C=C(C=C4)C)C 1 3.891 3 4 0 -11.5294527982705 5782151 COC1=CC=C(C=C1)/C=C/2\C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCCN4CCCCCC4 1 3.779 3 3 -9.77141954984864 5782070 CCOC1=CC=C(C=C1)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC(=N4)C 1 3.73 3 3 -5.28541593147139 5782040 CC(=O)OCC1=C/C(=C/2\C(=O)N=C3C=CC=CC3=N2)/NN1C4=CC=C(C=C4)Cl 1 2.383 4 3 0 -3.96026668363883 5781911 C/C(=C\1/C(=C2C=C(C=CC2=NC1=O)Cl)C3=CC=CC=C3)/NNC(=O)CCCC(=O)O 1 2.312 3 4 0 -14.88957964389 5781884 COC(=O)C1=CC=CC=C1NNC2=C(N=NC2=O)N 1 1.063 5 3 0 -9.25115611634127 5781656 C1C(OC2=CC=CC=C2O1)C(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 1.456 3 3 0 -1.2699747310121 5781566 CN1C2=CC=CC=C2/C(=N/NC3=CC=CC=C3)/C1=O 1 2.735 3 1 -1.38588840988595 5781332 COC1=CC2=C(C=C1)C(=O)/C(=C\C3=CC=CO3)/CC2 1 3.641 0 3 3.78641789088529 5781274 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Cl)OC4=CC(=C(C=C4)Cl)C 1 5.378 3 4 0 -10.4519450883304 5780920 COC1=CC=C(C=C1)/C=C(\C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)/NC(=O)C4=CC=CC=C4 1 3.793 3 5 0 -22.6699209114838 5780784 C1CN(CCN1C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)/C=C/C5=CC=CC=C5 1 1.721 3 4 0 -12.8922535745083 5780779 C1=CC=C(C(=C1)C(=O)NN/C=C\2/C=C3C=CC=CC3=N2)Cl 1 1.85 3 1 0 -6.04166459648112 5780741 CN1CCN(CC1)N/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F 1 -5.5e-002 5 3 0 -1.86084875817721 5780671 C1=CC2=NC(=O)C(=C2C=C1Br)NNC3=NC=C(C=C3)C(F)(F)F 1 2.027 4 1 -0.324295245507298 5780532 C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=CN=CC=C3)/SC2=S 1 1.404 2 3 0 -15.6516908478849 5780375 CC(C)CC(C(=O)O)N/C=C/1\C(=O)C2=CC=CC=C2OC1=O 1 1.948 1 5 0 -12.0091447596978 5780285 CC(C)(C)C1=NN2C=NN=C2N(C1=O)NC=C3C=CC(=O)C=C3 1 0.714 6 2 0 -4.25194588474232 5780053 CC(C1=CC=CC=C1)N/C(=C/2\C(=O)C3=CC=CC=C3NC2=O)/O 1 2.503 2 3 -9.61991985633501 5779914 C1CCC(CC1)NC(=O)CSC2=NN/C(=C/3\C=CC=CC3=O)/O2 1 2.797 3 3 -17.6332903636353 5779834 CC1=NN(C(=C1)NC(=O)/C=C/C2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4N3CC5=CC(=CC=C5)[N+](=O)[O-] 1 5.44 6 4 0 -11.6445899085322 5779800 CC1=CC\2=C(C=C1)N(C(=O)/C2=N\NC3=CC=CC(=C3)C(=O)O)C 1 2.851 3 3 -2.84651259126696 5779708 C/C(=C/1\C(=O)NC(=O)N(C1=O)CC=C)/NN2CCN(CC2)C 1 -0.713 5 3 0 -10.0245098576323 5779525 C1=CC=C2C(=C1)/C(=C(/C#N)\C3=NC4=CC=CC=C4S3)/C(=O)N2 1 3.06 3 1 -6.30880335560347 5779524 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N 1 2.376 4 6 0 -28.4415075063774 5779317 CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)/C=C(/C(=O)N3CCCC3)\NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 2.277 4 7 0 -20.9409368272114 5779316 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN/C=C/3\C=C(C=CC3=O)OC)C 1 2.127 4 3 0 -12.744437977717 5779206 C1=CC=C(C=C1)/C=C(/C#N)\C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 2.523 3 5 0 -13.8858443304964 5778982 CC(C)OCCCNC(=O)CN1C2=CC=CC=C2S/C(=C\C3=CC=CC=C3)/C1=O 1 2.998 2 3 -14.3673246052585 5779160 CCOCCCNC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)/C#N 1 1.634 3 6 0 -32.7414436471013 5778780 CC1CCCCN1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)OC)O 1 3.976 1 4 2.37253400538235 5778770 CC1=CC(=CC=C1)N2C3=NC4=C(C(C3=C(N2)C)C5=CC=CC=N5)C(=O)CCC4 1 2.782 4 1 -11.393824553311 5778764 C1C(N2C(=NC1=O)N=CN2)C(=O)NC3=CC(=CC=C3)Cl 1 0.105 5 2 0 -4.6239810477961 5778563 C1COCCN1C2=CC=C(O2)/C=C/3\C(=O)N(C(=O)S3)CC4=C(C=CC=C4Cl)F 1 3.971 2 4 -3.07156202864685 5778449 CCN1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)NCCOC 1 0.606 6 3 0 -24.2733547616718 5778391 COC1=CC=C/C(=C\NNC(=O)CNC(=O)C2COC3=CC=CC=C3O2)/C1=O 1 -0.473 3 6 0 -8.16319617258817 5778362 CCC1=CC=C(C=C1)NNC2=C3C(=NC=N3)C(=O)C=C2 1 2.07 4 1 -1.90193444272328 5778358 CCCCN1C(=O)/C(=C(\CC)/NCC2=CC=C(C=C2)F)/C(=O)NC1=O 1 2.712 3 3 -8.58692249573114 5778282 CCCCC/C(=C/1\C(=NC2=CC=CC=C21)C)/NO 1 3.141 2 1 -4.94760836152502 5778058 CCC1(CC2=C(CO1)C=C3C(=N2)NC(=S)N(C3=O)C4=CC=C(C=C4)C)C 1 4.248 3 2 -6.90083975597055 5777938 CCCOC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCCN5C=CN=C5 1 2.822 3 6 0 -7.03550662654001 5777886 C=CCNC(=S)/C(=C(\C1=CC=C(C=C1)[N+](=O)[O-])/[O-])/[N+]2=CC=CC=C2 1 2.755 3 3 -10.1316553692704 5777878 CC(=O)NC(CC(=O)NCCN1C(=O)/C(=C/C2=CC=CC=C2)/SC1=O)C3=CC=CC=C3 1 2.26 3 4 0 -18.263674619977 5777865 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NN/C=C/2\C=C(C=CC2=O)OC 1 1.214 4 4 0 -12.1717571431955 5777341 C1COCCN1N/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Cl 1 1.027 4 3 0 -0.759926573487961 5777409 COC1=CC=CC(=C1OC)/C=C/C(=O)OCC(=O)NCC2CCCO2 1 1.538 1 6 0 -14.7928531416946 5777299 CCC(C)N1C(=O)/C(=C/NN2CCOCC2)/C(=O)NC1=S 1 3.6e-002 4 3 0 -6.11448963927709 5777227 CCOC1=CC=C(C=C1)C2=CC(N3C(=N2)N=CN3)C4=CC=CC=C4 1 2.397 4 1 -1.93225965417003 5776902 CC(=C1C=CC(=O)C=C1)NNC2=CC=CC(=C2)C(F)(F)F 1 3.228 2 1 4.84862086489499 5776900 C1=CC=C(C=C1)CN(C2=CC=CC=C2)NC=C3C=CC(=O)C=C3 1 3.561 2 1 0.318941743899219 5776876 CC1=CC(OC1=O)C/C(=C/COC2=CC3=C(C=C2)C=CC(=O)O3)/C 1 3.8 0 5 -8.7535981367314 5776662 CC1=CC(=CC=C1)CN2C3=CC=CC=C3S/C(=C/C4=CC=C(C=C4)C(=O)NCCN5CCOCC5)/C2=O 1 4.385 3 3 -6.94774890329873 5776526 CCOCCCNC(=O)CN1C2=CC=CC=C2S/C(=C\C3=CC=CC=C3)/C1=O 1 2.621 2 3 -14.6170286957995 5776416 CC1CN/C(=C\C(=O)C2=CC=C(C=C2)Br)/C(=O)N1 1 1.571 2 2 0 -3.61517159165991 5776408 COC1=CC(=CC(=C1OC)OC)C2=C3C(=CC(=N2)C(=O)NC4CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6N3 1 5.401 4 4 0 -0.890287476604619 5776407 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=CN=C3C)NC2=O)OCC 1 2.122 3 4 0 -18.5052904840458 5776290 C1=CC=C(C=C1)S(=O)(=O)NN/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4 1 1.725 4 4 0 -8.49313671689432 5776268 CCN1C(=NN=C1SCC(=O)NNC2=C3C=CC=CC3=NC2=O)C4=CC=C(C=C4)C(C)(C)C 1 3.295 6 2 0 -10.8522934622671 5776036 C1CC(OC1)CNC(=S)NNC=C2C=C(C(=O)C(=C2)Br)Br 1 1.819 3 2 0 -9.08894960428346 5775976 CCOC1=CC=CC=C1N/C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])/N2C=NC=N2 1 3.598 5 3 0 -3.21132376650809 5775810 CC(=O)OC1=CC=CC=C1C2=NN(C(C2)C3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4 1 4.651 2 3 -4.3927786569521 5775732 CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(=O)NN/C=C/3\C=CC=CC3=O 1 2.103 3 5 0 -19.1547543484804 5775469 CCCN1C(=O)/C(=C\C2=CC=C(O2)N3CCOCC3)/SC1=O 1 2.39 2 4 -2.034802522907 5775435 C1CC2C(N(N=C2/C(=C/C3=CC=CC=C3)/C1)C(=O)CSCC(=O)O)C4=CC=CC=C4 1 4.166 2 3 -11.7872558618287 5775404 CN1C=CC=C1/C=C\2/C(=O)N(C(=S)S2)CC(=O)O 1 2.119 2 3 -12.4853199989588 5775329 COC1=CC(=CNNC2=CC=CC=C2[N+](=O)[O-])C=C(C1=O)OC 1 1.042 3 5 0 0.734394376897509 5775281 C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)O)/C1=C/C4=CC(=C(C=C4)Cl)Cl 1 4.16 2 3 -4.90312907656467 5774988 CCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C(C=CC(=C42)NC1=O)Cl 1 3.134 1 4 -10.7616506968193 5774890 COC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC=N3)C4=C(C(=CC=C4)OC)OC)/O 1 3.292 2 6 0 -9.38527232571586 5774735 CC1=NC=C(/C(=C/NNC(=O)C2=CC=CC=C2Br)/C1=O)CO 1 0.166 3 3 0 -3.86729785314442 5774635 CCOC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2 1 3.814 1 3 -1.50960153306228 5774630 CC1=CC=C(C=C1)NCC(=O)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-] 1 1.004 5 4 0 -9.25193659365167 5774462 CN1C(=O)C(=CNNC2=CC=CC=C2)C(=O)N(C1=O)C 1 0.29 4 3 0 -4.17231112899656 5774407 CCCCCCCCCCS(=O)(=O)NNC=C1C=CC(=O)C=C1 1 3.199 2 3 -4.57952329970814 5774391 CCC(CC)(C#C)NC(=O)/C=C/C(=O)O 1 2.439 1 3 -7.80238103157541 5774232 C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NCCN3C(=O)/C(=C/C4=CC=CC=C4)/SC3=O)Cl)Cl 1 3.138 3 6 0 -20.4072411012741 5774334 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.333 4 5 0 -26.4077816326856 5774261 CC1CC1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3Cl 1 4.136 2 2 -17.2206239141095 5773870 COC1=CC=CC(=C1OC)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCCN5CCOCC5 1 2.017 2 8 0 -16.1111175526634 5773826 COCCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)\O)/C(=O)C1=O)C4=CC(=C(C=C4)O)OC 1 2.083 2 8 0 -21.3677639304126 5773550 C1=CC(=CC(=C1)O)NC(=S)NNC2=C3C=C(C=CC3=NC2=O)Br 1 2.729 4 2 -3.29203947419606 5773351 COC1=CC(=C(C=C1)OC)/C=C\2/C(=O)N(C(=S)S2)C(C3=CC=CC=C3)C(=O)O 1 4.214 1 5 -8.80882900081622 5773328 CC(C1=CC=CC=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC)O)/C#N 1 3.047 2 3 -10.062286271421 5773323 CC1=NC2=C(C=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3Cl)C(=C1)N 1 3.469 3 1 -1.95010900311755 5773281 CC1=NC(=CS1)CSC2=NSC(=C2C#N)/C=C/N(C)C 1 2.617 4 0 -6.7455637136407 5773027 C1CCC2=C(C1)N=C(S2)/C(=C/C3=CC=NC=C3)/C#N 1 2.757 3 0 -10.8287855275588 5772747 CCN(CC)CCN1C(/C(=C(/C2=C(NC(=C2C)C(=O)OC)C)\O)/C(=O)C1=O)C3=CC=C(O3)C 1 2.518 3 6 0 -14.7899337680367 5772628 C1=CC=C(C=C1)CN2C(=O)/C(=C\NNC3=C(C(=C(C(=C3F)F)F)F)F)/C(=O)NC2=O 1 2.695 4 3 0 -2.22523416017996 5772313 CC1=CC=C(C=C1)C2=CS/C(=C(\C#N)/C(=O)CCl)/N2 1 2.565 2 1 -4.69377944469812 5772085 COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=NC(=O)CC(N3N2)C4=CC=C(C=C4)Cl 1 2.801 5 4 0 -2.49233009680896 5772079 CC\1=NN(C(=O)/C1=C\NCC(C)C)C2=CC(=CC=C2)Cl 1 2.377 3 1 -4.43793207602153 5772018 COC1=CC(=C(C=C1)OC)NC=C2C(=O)NC(=O)NC2=O 1 0.172 3 5 0 -9.48744127322001 5771900 CC1CCCCC1NC(=O)/C(=C/C2=CC3=C(C=C2)OCCO3)/C#N 1 3.308 2 3 -17.6836623330581 5771861 CCC/C=C(\CCC)/C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F 1 6.585 1 2 -11.0184765417007 5771858 CCC/C=C(\CCC)/C(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(F)(F)F 1 6.882 1 1 -10.9015499946995 5771856 CCC/C=C(\CCC)/C(C1=CC=CC=C1)NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 7.244 1 1 -11.6475835085647 5771850 CCC/C=C(\CCC)/C(C1=CC=C(C=C1)C(F)(F)F)NC(=O)CCC2=CC=CC=C2 1 7.373 1 1 -11.6336934206477 5771847 CCC/C=C(\CCC)/C(C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC(C)C 1 5.966 1 4 -14.805828658416 5771842 CCC/C=C(\CCC)/C(C1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 5.685 2 4 -19.5205599540979 5771820 C/C(=C\C1CCCCC1)/C(C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F 1 8.281 1 1 -3.43755875177096 5771797 CCC/C=C(\CCC)/C(C1=CC=C(C=C1)C(=O)OC)NC(=O)CC2=CC=CC=C2 1 5.83 1 3 -15.2058499019821 5771796 CCC/C=C(\CCC)/C(C1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)C(=O)OC 1 5.651 1 5 -16.1438946861679 5771790 CCCC/C=C/C(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(=O)OC 1 4.893 1 3 -10.2828577155066 5771788 CCCC/C=C/C(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 6.556 1 1 -4.77702800818348 5771786 CCCC/C=C/C(C1=CC=CC=C1)NC(=O)CCC2=CC=CC=C2 1 5.529 1 1 -12.1534637598273 5771779 C[C@H](CO)NC(=O)[C@@H]1C[C@H]1[C@H](C2=CC=CC=C2)NP(=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 3.375 2 3 -9.19657399806032 5771738 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CCCN(C)C)C4=CC=NC=C4)/O 1 1.862 3 4 0 -6.00546844885013 5771737 CC1=C(C=NN1C2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=CS5)/O 1 3.027 4 3 0 -7.59362700187225 5771735 C\1C(ON/C1=C/2\C=CC=CC2=O)C(=O)NCC3=CC=CS3 1 0.583 2 3 0 -14.286432626702 5771733 CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=CC=N4)/O 1 1.86 3 4 0 -8.60219383877725 5771732 C1CCN(CC1)/C(=C\2/C=CC(=O)C(=C2)Cl)/S 1 3.107 1 1 -0.561832600521647 5771731 CC1=CC(=NN1C2=NN=C3N2N/C(=C\4/C=NC5=CC=CC=C54)/CS3)C 1 2.309 7 0 0 -11.4351506126075 5771729 CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CC=N4)/O 1 2.466 3 3 -5.00823903449948 5771728 CC1=CC=CC=C1C2=C/C(=C\3/C=CC=CC3=O)/NN2 1 1.834 2 1 0 -1.52046750843958 5771727 C1COCCN1CCSC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 2.594 5 1 -12.5903751567391 5771726 CCCOC1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)F)/O)/C(=O)C(=O)N2CCCN(C)C 1 3.638 2 4 -5.16038676990155 5771724 C1COCCN1CCCN2C(/C(=C(\C3=CC4=C(C=C3)OCO4)/O)/C(=O)C2=O)C5=CC=CS5 1 1.879 2 6 0 -13.6876494564686 5771723 C1CCN(C1)C(=O)C2C/C(=C\3/C=CC=CC3=O)/NO2 1 -7.3e-002 2 3 0 -12.4136471683568 5771722 C\1C(ON/C1=C/2\C=CC=CC2=O)C(=O)NCCC3=CC=CC=C3 1 1.165 2 3 0 -12.5102489650032 5771721 CN1/C(=C/2\C=NC3=CC=CC=C32)/NN=C1SCC(=O)NCC4=CC5=C(C=C4)OCO5 1 2.526 5 3 0 -20.606419544023 5771720 C1/C(=C\2/C=CC=CC2=O)/NC3=CC=CC=C3N=C1C4=CC=CO4 1 3.17 2 2 -8.15990340209 5771719 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CC4CCCO4)C5=CC=CO5)/O 1 2.459 1 6 0 -13.653784076429 5771718 CSC1=CC=CC=C1NC(=O)C2C/C(=C\3/C=CC=CC3=O)/NO2 1 1.378 2 3 0 -13.1848516645864 5771717 C1COCCN1CCN2C(/C(=C(\C3=CC4=C(C=C3)OCO4)/O)/C(=O)C2=O)C5=CC=NC=C5 1 0.82 3 6 0 -10.8964244096385 5771716 COC(=O)C1=CC=CC=C1NC(=O)C2C/C(=C\3/C=CC=CC3=O)/NO2 1 0.692 2 5 0 -14.6594229965353 5771714 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CC4=CC=CO4)C5=CC=CS5)/O 1 3.423 1 5 -8.77288929141835 5771712 C1COCCN1C(=O)/C(=C\2/NC3=CC=CC=C3S2)/C#N 1 1.549 3 2 0 -10.2976581379905 5771624 C1=CC=C\2C(=C1)C=C(C(=O)/C2=N\NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)O 1 1.902 3 5 0 -12.0087560432436 5771514 C1=CC=C(C=C1)C2=NC3=C(NC=NC3=O)N=C2C4=CC=CC=C4 1 3.31 4 1 0.156933867154165 5771512 C1CC(=C2C(=C1N=O)NN(N2)C3=C(C=C(C=C3)Cl)Cl)N=O 1 2.221 5 2 0 0.784737451043675 5771511 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)/C(=C/C3=CC=CC=C3)/C 1 4.027 4 1 -5.28745452441108 5771510 CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)C3=CC(=C(C=C3)OC)OC 1 3.439 3 3 -11.8514627254502 5771509 CC1=C(C(N=C2N1NN=N2)C3=CC=C(C=C3)Cl)C(=O)OC 1 2.832 5 2 0 -7.58376804141874 5771508 COC1=C(C=C(C=C1)N/C=C\2/C3=CC=CC=C3NC2=O)OC 1 2.039 2 3 -11.0837991419743 5771507 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2 1 1.895 2 3 0 -4.83950846061547 5771506 C1CC(OC1)CNC(=O)C2=CN/C(=C\N=O)/C=C2 1 -0.582 3 3 0 -12.8526144025402 5771505 CC1=C/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)S1 1 2.642 0 3 -3.76675215874881 5771502 COC1=CC=C(C=C1)C2CC(N3C(=N2)N=NN3)C4=C(C=CC(=C4)OC)OC 1 3.529 5 3 0 -3.2907324878243 5771501 COC1=C/C(=C\2/C=C(C3=C(C(=C(C=C3N2)OC)OC)OC)C(=O)O)/C=CC1=O 1 1.714 1 7 0 -7.19852916808924 5771499 CCOC1=CC=CC=C1C2C(=C(N=C3N2NC(=N3)C4=CC=C(C=C4)OC)C)C(=O)N 1 2.498 5 3 0 -12.5011742438041 5771498 CC1=C2C(C3=C(CC(CC3=O)(C)C)N=C2NN1)C4=CC=C(C=C4)F 1 2.11 3 1 -16.2252194221669 5771495 CC1=C(C(N2C(=N1)N=CN2)C3=CC(=C(C=C3OC)OC)OC)C(=O)NC4=CC=CC=C4 1 1.526 5 4 0 -19.1893545699328 5771494 CCOC(=O)C1=C(N=C2C=CNC(=O)C2=C1)C 1 0.491 2 3 0 -8.75188782097668 5771492 COC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)C/C=C/C4=CC=CC=C4)N=N2 1 3.303 5 2 0 -3.99339184700437e-002 5771491 CCCCCOC(=O)C1=C(N=C2N=NNN2C1C3=C(C(=C(C=C3)OC)OC)OC)C 1 3.904 5 5 0 -21.1995604422335 5771490 CC1=CC=CC=C1C2C(=C(N=C3N2NC=N3)C)C(=O)NC4=CC=CC=C4OC 1 2.691 5 2 0 -18.722346094607 5771489 CC1=CC(=CC=C1)NC(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC5=C(C=C4)OCO5 1 2.981 4 3 0 -2.57070658737921 5771488 CCCCOC(=O)C1=C(N=C2N=CNN2C1C3=C(C=CC(=C3)OC)OC)C 1 1.942 4 4 0 -18.1412632389814 5771487 CC1=NOC(=C1S(=O)(=O)NC2CCCCC2)/C=C/N(C)C 1 1.636 3 3 0 -6.90437970027174 5771486 CC1=C(SC=C1)C2C=C(N=C3N2NN=N3)C4=CC=C(C=C4)OC 1 3.903 5 1 -3.01482585846402 5771485 CC1=C(C(=NN1C)C)CN(C)C(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC=CS4 1 1.864 6 1 0 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5 2 0 -19.11129565647 5771471 C1=CC=C(C=C1)C2=N/C(=C/C3=CC=CO3)/C(=O)S2 1 3.266 1 2 -1.96586533861634 5771470 CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 3.506 4 3 0 -22.8018997411677 5771469 CN(C)C1=CC=C(C=C1)C2=N/C(=C/3\C=CC=CC3=O)/ON2 1 2.195 3 2 -5.72282273170251 5771468 CCOC1=CC=CC=C1C2C(=C(N=C3C2=C(NO3)C4=CC=CC=C4)N)C#N 1 2.527 4 2 -14.3109296506645 5771467 CC1=C(C(N2C(=N1)N=C(N2)C3=CC(=CC=C3)OC)C4=CC5=C(C=C4)OCO5)C(=O)N 1 1.287 5 4 0 -10.8944077527069 5771466 CC1=C(C(N2C(=N1)N=C(N2)C3=CC(=CC=C3)Cl)C4=C(C=CC(=C4)OC)OC)C(=O)N 1 2.167 5 3 0 -7.50353756208887 5771465 CCOC1=N/C(=C/2\C=CC=CC2=O)/NC3=CC=CC=C31 1 2.992 2 2 -5.91845155879643 5771464 CN/C=C\1/C(=O)C2=CC=CC=C2S1 1 1.181 1 1 0 -2.06836383401421e-003 5771463 CC\1=NN(C(=O)/C1=C/NC2=CC=CC=N2)C3=CC=CC=C3 1 1.764 4 1 0 -1.97646601360881 5771462 COC1=CC=CC(=C1)C2CC(N3C(=N2)N=CN3)C4=CC=CC=C4Cl 1 2.704 4 1 1.97154917838409 5771461 CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)/C=C/C5=CC=CO5 1 2.9 3 5 0 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CC1=C(C(N2C(=N1)N=NN2)C3=CC=NC=C3)C(=O)NC4=CC=CC=C4 1 1.947 7 1 0 -14.9157746334559 5771395 CC1=C(C(N2C(=N1)N=CN2)C3=C(C=CC(=C3)Br)F)C(=O)OCC=C 1 2.217 4 2 -17.4858017734664 5771393 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=C/C(=C/3\C=CC=CC3=O)/ON2 1 1.895 2 3 0 -7.24461993068002 5771392 CCN1C(=C(C(=N1)C)/C=C/2\CCCC3=C2OC(=C(C3C4=C(N(N=C4C)CC)C)C#N)N)C 1 3.332 6 1 0 -10.8341504509587 5771391 CN(CC1=CC=C(C=C1)N2C=CC=N2)C(=O)C3=CNN4C3=NC(CC4C(F)(F)F)C5=CC=CO5 1 2.184 6 2 0 -3.91234568961106 5771390 COCCN1/C(=C/2\C=NC3=CC=CC=C32)/NN=C1SCC(=O)NC4=CC5=C(C=C4)OCCO5 1 2.406 5 4 0 -21.7083601554752 5771389 CCCC1=CC=C(C=C1)OC\2=CNN/C2=C/3\C=CC(=O)C(=C3O)C 1 2.171 2 3 -2.1713367157233 5771386 CC1=C(C(N2C(=N1)N=NN2)C3=CC=CC=N3)C(=O)NC4=CN=CC=C4 1 1.118 8 1 0 -15.2436617162353 5771384 COC1=CC=C(C=C1)C2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(=O)N2CO 1 1.802 1 5 0 -5.7826731180352 5771383 CC1=CC=CC(=C1)C2=NC3=NC(=C(C(N3N2)C4=CC5=C(C=C4)OCO5)C(=O)N)C 1 2.436 5 3 0 -9.50519024789135 5771381 CC1=CC=CC=C1C2CC(N=C3N2NC=N3)C4=CC=CC=C4OC(F)F 1 3.994 4 1 -1.1451952708164 5771380 CC1=C(C(N2C(=N1)N=NN2)C3=CN=CC=C3)C(=O)NC4=CC=CC=N4 1 1.335 8 1 0 -14.8963555170861 5771379 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2CCOC 1 1.459 6 4 0 -18.8569006346968 5771377 COC1=CC=C/C(=C\NC2=CC3=C(C=C2)OCCO3)/C1=O 1 1.573 1 4 0 -7.75701684572269 5771376 CCCCOC(=O)C1=C(N=C2N=NNN2C1C3=C(C(=C(C=C3)OC)OC)OC)C 1 3.447 5 5 0 -21.8936298561003 5771375 CCOC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=NO 1 3.194 1 3 -4.32473401086786 5771372 CC1=C(C(N2C(=N1)N=CN2)C3=CC=CC=C3Cl)C(=O)C 1 1.185 4 1 0 -13.687282210854 5771370 CCCC1=C2C(C(=C(N=C2ON1)N)C#N)C3=COC=C3 1 1.043 4 2 0 -12.8606764331584 5771369 CC(CN1C(/C(=C(\C2=CC=CC=C2)/O)/C(=O)C1=O)C3=CC=CC=C3OC)O 1 2.197 1 5 -8.00319505730545 5771368 CC1=CC=CC(=C1)C2=NC3=NC(=C(C(N3N2)C4=CN=CC=C4)C(=O)N)C 1 1.518 6 1 0 -6.71329926291741 5771367 CC1=CC=C(C=C1)C2C=C(N=C3N2NC=N3)C4=CC5=C(C=C4)OCO5 1 2.966 4 2 -1.22751034873714 5771366 CCC1=NN=C(S1)NC(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2CCOC 1 2.022 7 2 0 -25.4875350125207 5771365 CN/C=C/1\C=C(SC1=O)C2=CC=CC=C2 1 1.595 1 1 0 1.39399412147117 5771364 CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=CC=C3Cl)C4=CN=CC=C4)C(=O)N 1 2.17 6 1 0 -15.923665910519 5771363 CC1=C(C(N2C(=N1)N=NN2)C3=C(C(=CC=C3)OC)OC)C(=O)NC4=CN=CC=C4 1 1.914 7 3 0 -19.9877440498411 5771362 C1CCC(CC1)NCCCNC(=O)C2=CN/C(=C\N=O)/C=C2 1 0.583 4 2 0 -9.6080743945229 5771361 CC1=NOC(=C1S(=O)(=O)N(C)CC(=O)NC2CCCCC2)/C=C/N(C)C 1 0.901 4 4 0 -11.8095792938721 5771360 COC1=C(C=C(C=C1)C2CC(N3C(=N2)C(=CN3)C(=O)NCC4=CN=CC=C4)C(F)(F)F)OC 1 1.28 5 3 0 -14.0973330389561 5771358 CC1=C(C(N2C(=N1)N=C(N2)C3=CC(=CC=C3)Cl)C4=CC=CS4)C(=O)N 1 2.047 5 1 -8.49946592580153 5771356 COC1=CC=CC=C1C2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(=O)N2CCO 1 1.82 1 5 0 -6.73662648892585 5771354 CCOC(=O)C1=C(N=C2N=CNN2C1C3=C(C=CC(=C3)Br)F)C 1 1.949 4 2 0 -13.6991414234998 5771353 CCOC1=CC=CC=C1C2C(=C(N=C3N2NC(=N3)C4=CC=CC=C4Cl)C)C(=O)N 1 3.179 5 2 0 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CC1=CC=CC=C1/C=C\C2=NC(=C(C(=O)N2)[N+](=O)[O-])O 1 2.052 3 4 0 -7.63481355549348 5769370 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O 1 2.717 4 5 0 -9.7403229035855 5769365 CCOC1=C(C=CC(=C1)/C=C\C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC=C 1 2.499 3 6 0 -17.0311917298158 5769362 C=CCOC1=CC=CC(=C1)/C=C\C2=NC(=C(C(=O)N2)[N+](=O)[O-])O 1 2.167 3 5 0 -12.9127341473912 5769361 C1=CC=C(C(=C1)/C=C\C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)F 1 1.772 3 4 0 -8.16523005938924 5769351 CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC=C(O3)C4=CC=CC=C4C(=O)O)/C#N 1 4.898 3 3 0.461625208046763 5769349 COC1=CC=CC(=C1OCC(=O)O)/C=C(\C#N)/C2=NC3=CC=CC=C3N2 1 3.026 3 4 0 -7.17699686734236 5769346 C1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCC3=CNC4=CC=CC=C43)C5=CN=CC=C5)/O 1 3.423 3 3 -6.89358579815014 5769321 CC1=CC=C(C=C1)/C(=C\C2=CC(=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-])OC)/C#N 1 4.968 3 4 0 -11.6070963546413 5769307 CCCOC1=C(C=C(C=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OCC 1 2.135 3 6 0 -14.5772714438028 5769297 CC\1=C(C(=O)NC(=O)/C1=C\C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)OCC=C)C#N 1 4.179 2 5 0 -6.77726137732069 5769296 C=CCN1/C(=C/2\C=CC=CC2=O)/NN=C1SCC(=O)N 1 0.909 4 2 0 -20.1185783943574 5769294 CN1C=CC=C1/C=C(/C#N)\C2=CC=C(C=C2)F 1 3.451 2 0 -6.04768925127679 5769288 C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=CO3)/C#N 1 3.541 2 1 -6.16800715453816 5769276 C1=CC2=CN=C(N2C=C1)/C=C/C3=CC=C(C=C3)Cl 1 3.649 2 0 5.59339129104672 5769273 CCN1C/C(=C\C2=CC=CS2)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=CS4 1 3.294 3 1 -9.67086289011395 5769237 CCOC1=CC=CC(=C1OCC(=O)O)/C=C(/C#N)\C2=NC3=CC=CC=C3N2 1 3.375 3 4 0 -8.05618970675884 5769232 C1=CC=C(C=C1)C2=CC(N3C(=N2)N=NN3)C4=CC=CS4 1 3.434 5 0 -5.73421187319191 5769217 C/C(=C\C1=CC=CO1)/C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N 1 2.62 2 3 -15.8620316511633 5769210 COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OCC(=O)NC4=CC=CC=C4 1 4.749 3 3 -16.7024938626467 5769202 COC1=CC=CC(=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=CC=N4 1 4.005 3 2 -5.92830840509511 5769184 C1C(N=C2N=C(NN2C1C3=CC=CS3)N)C4=CC=CC=C4 1 1.772 5 0 0 -3.50473791316855 5769182 C1C(N=C2N=C(NN2C1C3=CC=CO3)N)C4=CC=C(C=C4)Cl 1 1.878 5 1 0 -1.8666830021398 5769168 COC1=C(C=C(C=C1)C2CC(N=C3N2NC=N3)C4=CC=CC=C4Cl)OC 1 3.334 4 2 -3.01349749481425 5769138 CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)/C=C(/C#N)\C3=NC4=CC=CC=C4N3 1 4.004 4 4 0 -6.64945302176494 5769131 CC1=CC=C(C=C1)C(=O)NN/C(=C\2/C(=NN(C2=O)C3=CC=CC=C3)C)/C 1 2.283 4 2 -7.3439111537082 5769126 CC\1=C(C2=NC3=CC=CC=C3N2C(=O)/C1=C\NC4=CC=CC=C4OC)C#N 1 3.601 4 2 -6.25574930220105 5769124 CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)/C=C(/C#N)\C3=NC4=CC=CC=C4N3)OC 1 4.667 4 3 0 -12.5363582676335 5769119 C/C(=C\CN1C2=C(N=C1NC3=CC=CC=C3)N(C(=O)N(C2=O)C)C)/Cl 1 2.54 5 2 0 -12.4111964576994 5769116 C/C(=C\CN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C)/Cl 1 2.542 5 2 0 -12.4760655453243 5769113 C/C(=C/CN1C2=C(N=C1NCCCN3C=CN=C3)N(C(=O)NC2=O)C)/Cl 1 0.561 7 2 0 -6.24087894267474 5769109 CCC1=CC=C(C=C1)C2C(=C(N=C3N2NN=N3)C(=O)OC)C(=O)C 1 2.557 5 3 0 -12.8020713668429 5769095 COC(=O)C1=NNC(=C1)/C=C/C2=CC=CC=C2 1 2.835 2 2 -2.3041148650962 5769094 COC(=O)C1=NOC(=C1)/C=C/C2=CC=CC=C2 1 2.845 1 3 -3.23740072612534 5769080 COC1=CC(=CC(=C1OC)OC)/C=C/C2=NC(=N/C(=C\3/C=CC=CC3=O)/N2)N 1 2.44 4 4 0 -6.10348993671067 5769061 CC1=C(C(N2C(=O)CCSC2=N1)/C=C/C3=CC=CC=C3)C(=O)OCCOC 1 2.792 2 4 -21.5381664540704 5769057 COC1=CC=C(C=C1)/C=C/C2=NC3=C(C4=C(S3)CCC4)C(=O)O2 1 4.305 1 3 -8.77835582948924 5769025 C1CCN(C1)C2=C(C=C(C=C2)/C=C\[N+](=O)[O-])F 1 2.638 2 2 8.46669979626416 5769020 CCN(CC)CCCN1C(/C(=C(/C2=C(C=CC(=C2)C)C)\O)/C(=O)C1=O)C3=CN=CC=C3 1 3.096 3 3 -7.55086352916081 5769011 CC1=CC(=C(C=C1)C)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CN=CC=C4)/O 1 2.63 3 3 -5.85944411699843 5768983 CC1=CC(=C(C=C1)C)/C(=C\2/C(N(C(=O)C2=O)CCCN(C)C)C3=CN=CC=C3)/O 1 2.399 3 3 -5.98927028839402 5768894 CC1=CC=C(O1)C2/C(=C(/C3=CC(=CC=C3)OC)\O)/C(=O)C(=O)N2CCOC 1 1.662 1 6 0 -9.61376071712476 5768893 COCCN1C(/C(=C(/C2=CC(=CC=C2)OC)\O)/C(=O)C1=O)C3=CC=CO3 1 1.517 1 6 0 -10.3577316522064 5768891 COCCN1C(/C(=C(/C2=CC(=CC=C2)OC)\O)/C(=O)C1=O)C3=CC=NC=C3 1 1.078 2 5 0 -6.76639583172979 5768864 COC1=C(C=CC(=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3N2)OC(=O)C4=CC=CO4 1 4.388 3 4 0 -7.20725663112258 5768828 COC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3/C(=N/NC(=O)C4=CC=CC=C4O)/C2=O 1 2.348 4 5 0 -7.9214009288226 5768822 C1=CC=C(C=C1)CCN2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=C(O4)[N+](=O)[O-] 1 4.486 3 4 0 -1.48477441643074 5768818 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=C(C=C3)F)C4=CC=CC=N4 1 4.337 3 1 -4.32107721605225 5768784 COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)OC 1 3.853 3 6 0 -8.01786007679423 5768774 CC1=CC2=C(C=C1)N=C(N2)/C(=C\C3=CC=C(C=C3)OC(=O)C4=CC=CS4)/C#N 1 5.449 3 2 -6.19463158252515 5768743 COC1=C/C(=C/C(=C/2\NC3=CC=CC=C3C(=O)N2)/C#N)/C=CC1=O 1 1.73 3 3 0 -6.74693778104525 5768696 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)NC4=CC=CC(=C4)C(=O)O 1 2.952 2 7 0 -18.4683840873028 5768695 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)NC4=CC=C(C=C4)C(=O)O 1 2.952 2 7 0 -18.2057606591621 5768680 C1=CC=C(C=C1)C(=O)CSC2=NN/C(=C\3/C=NC4=CC=CC=C43)/O2 1 3.812 3 2 -8.0193261188622 5768679 CCOC(=O)CSC1=NN/C(=C\2/C=NC3=CC=CC=C32)/O1 1 2.612 3 3 -13.9494836633905 5768671 CC1=CC2=C(C=C1)N=C(N2)/C(=C\C3=CC=C(O3)N4CCOCC4)/C#N 1 3.433 4 2 2.67038437720688 5768667 COC1=CC(=CC(=C1O)OC)/C=C/2\C(=O)N=C(S2)NC3=CC=C(C=C3)O 1 3.262 2 5 0 -3.9064224570137 5768666 COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NCCCN3CCOCC3 1 2.227 3 4 0 -20.8399878115722 5768602 CC1=CC(N2C(=N1)N=C(N2)NC(=O)CCCC(=O)O)C3=CC=CC=C3 1 0.991 5 3 0 -15.0345404111401 5768597 C1COCCN1C2=CC=C(O2)/C=C(/C#N)\C3=NC4=CC=CC=C4N3 1 2.947 4 2 1.38430962439781 5768529 CCOC(=O)N1CCN(CC1)/C(=C\2/C(=O)C3=C4C(=CC=C3)CCN4C2=O)/O 1 1.568 3 5 0 -4.96735412925334 5768441 COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2NC=N5)OC 1 3.239 4 2 -8.2723828491719 5768475 CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC(C)O)C3=CC=CC=C3OC)/O 1 2.684 1 5 -7.0391344927837 5768421 CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCCOC)C3=CC=NC=C3)/O)OC(C)C 1 2.353 2 5 0 -8.94867153413568 5768279 C=CCN(CC=C)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3)O 1 3.931 1 3 -0.500803475831854 5768270 CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCCCN3C=CN=C3)C 1 2.166 4 3 0 -16.0473018789513 5768233 COC1=CC=C(C=C1)NC(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC=CO4 1 1.999 4 3 0 -6.57837760101603 5768213 CCOC1=CC=C(C=C1)NC(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC=CO4 1 2.347 4 3 0 -7.34460075272405 5768210 C1C(N=C2C=C(NN2C1C(F)(F)F)C(=O)NC3=CC=C(C=C3)O)C4=CC=CO4 1 1.773 4 3 0 -4.28553728073274 5768195 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=NC(CC(N4N3)C(F)(F)F)C5=CC=CO5 1 1.662 6 2 0 -4.94446070475215 5768192 C1CCCC(CC1)NC(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC=CO4 1 2.753 4 2 -8.90522721159235 5768188 CN(C1=CC=CC=C1)C(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC=CO4 1 2.221 4 2 -6.31101355032419 5768166 CC(C)NC(=O)C1=CC2=NC(CC(N2N1)C(F)(F)F)C3=CC=CO3 1 1.165 4 2 0 -12.7598748809316 5768144 CC1=CC=CC(=C1)/C=C/C2=NC(=O)C3=CC=CC=C3N2 1 3.447 2 1 -1.43554771294653 5768017 CC1=C(C(NC(=O)N1)/C=C/C2=CC=CC=C2)C(=O)OC(C)C 1 2.259 2 3 -21.2146413966911 5768010 COCCCN1C(/C(=C(/C2=CC=C(C=C2)OC)\O)/C(=O)C1=O)C3=CC(=CC=C3)OC 1 2.274 1 6 0 -7.48026729012638 5767921 CC1=C/C(=N\NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)/C(=O)C=C1 1 1.798 3 4 0 -18.5891303658462 5767920 CC1=C/C(=N\NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)/C(=O)C=C1 1 2.571 3 3 -16.2764791302284 5767878 C1=CC(=CC=C1/C=C/C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Cl 1 4.297 3 2 6.33915540901216 5767863 CC1=C(C=CC(=C1)OCC=C)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CC=C4F)/O 1 3.557 2 5 0 -15.4063301838966 5767802 CCOC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC(=O)OC(C)C 1 3.533 4 3 0 -16.7632282239457 5767764 CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCOC)C3=CC=CC=C3)/O 1 2.793 1 4 -7.92348315701129 5767747 CC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC 1 2.213 4 3 0 -15.3207182995572 5767745 CC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)OC)C(=O)C 1 0.504 4 2 0 -12.4335175799682 5767744 CC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)O)C(=O)C 1 0.279 4 2 0 -10.1406772596849 5767688 C1=CC=C(C=C1)S(=O)(=O)/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)Cl)/C(=O)NCC4=CN=CC=C4 1 4.615 2 4 -7.56371492932961 5767632 CCN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C4=CC=CC=C34)CCCS(=O)(=O)[O-] 1 2.856 2 3 5.98412732870911 5767616 CCOC1=CC=C(C=C1)N(C)C2=CC=C(C=C2)/C=C/3\C(=O)NC(=S)S3 1 4.929 2 2 3.65358201985688 5767612 CCN1/C(=C/C2=[N+](C3=CC=CC=C3C=C2)CCCS(=O)(=O)[O-])/C=CC4=C1C=CC(=C4)C 1 3.05 2 3 7.86132146946673 5767600 CC[N+]1=C(SC2=CC=CC=C21)/C=C/3\N(C4=C(S3)C=CC(=C4)C)CCCS(=O)(=O)[O-] 1 3.465 2 3 8.3315039160437 5767585 CCOC(=O)COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N=C(S2)N 1 2.784 2 4 -6.46189700215892 5767584 COC1=C(C=C(C=C1)/C=C\2/C(=O)N=C(S2)N)Br 1 2.728 2 2 -2.70021343048084 5767580 CCOC1=C(C=C(C=C1/C=C\2/C(=O)N=C(S2)N)Br)Br 1 3.826 2 2 1.85293705628782 5767569 C1=CC(=CC=C1C2=CC=C(O2)/C=C/3\C(=O)N=C(S3)N)Cl 1 3.866 2 2 3.64609701027298 5767555 CCCOC1=CC=CC=C1/C=C\2/C(=O)N=C(S2)N 1 2.852 2 2 -1.28782843878394 5767547 C1=CC=C(C(=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N)Cl 1 2.329 3 2 1.38931865951699 5767543 COC1=C(C=C(C=C1)/C=C(/C(=O)NCCN2CCOCC2)\NC(=O)C3=CC=CC=C3)OC 1 1.788 3 5 0 -25.502623172242 5767542 CSC1=CC=C(C=C1)/C=C(/C(=O)NCCN2CCOCC2)\NC(=O)C3=CC=CC=C3 1 2.363 3 3 -18.9953976331354 5767541 COC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C3=NC4=CC=CC=C4N3)OC 1 4.148 3 3 -7.09857135713101 5767539 C1=COC(=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)NCCCN3C=CN=C3 1 1.147 4 3 0 -16.8084048645174 5767537 CCOC(=O)N1CCN(CC1)C(=O)/C(=C/C2=CC=CS2)/NC(=O)C3=CC(=C(C=C3)OC)OC 1 2.33 3 6 0 -23.0141476263201 5767534 C1COCCN1C(=O)/C(=C/C2=CC=CS2)/NC(=O)C3=CC=CO3 1 1.237 2 4 0 -19.028417519768 5767525 CC1=CC=CC=C1NN=C2C(=NN=C2N)N 1 0.854 6 0 0 -1.09337377653111 5767515 CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N 1 2.856 3 1 -6.97991998814673 5767510 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NCCCN3CCOCC3 1 2.73 3 3 -20.50717007145 5767482 C1=CC=C(C=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N 1 1.664 3 2 0 -0.209790632020667 5767481 CCO/C(=C\1/C(=O)C2=C(CCCC2)N(C1=O)CC3=CC=CO3)/O 1 2.298 1 5 -10.4101255576069 5767463 CC(C)C1CC(N2C(=N1)C=C(N2)C(=O)O)C(F)(F)F 1 1.18 3 2 0 -1.87264171700162 5767462 CC1(CC1)C2CC(N3C(=N2)C=C(N3)C(=O)O)C(F)(F)F 1 1.082 3 2 0 -1.57734535974785 5767461 C1CC1C2CC(N3C(=N2)C=C(N3)C(=O)O)C(F)(F)F 1 0.808 3 2 0 -1.85596325251173 5767456 CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OCC#C)OC)C3=CC=CC(=C3)C(=O)O 1 3.823 2 5 0 -17.4877953347854 5767451 CC1CC2=CC=CC=C2N1C(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3 1 4.062 5 1 -18.685296384684 5767415 CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CNN4C3=NC(CC4C(F)F)C5=CC=CC=C5 1 3.714 4 3 0 -16.7870371350322 5767414 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC4=NC(CC(N4N3)C(F)F)C 1 2.78 5 3 0 -14.8403743003666 5767399 C1=CC=C(C=C1)COC(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 4.058 4 2 -17.4339787204529 5767397 CC(CCC1=CC=CC=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC 1 4.211 1 3 -11.0779998501233 5767395 CC1=CC(=C(C=C1)OC)NC(=O)CCN2CCN(CC2)C/C=C/C3=CC=CC=C3 1 3.683 3 2 -0.164246535560457 5767392 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5767127 CC1=NN(C=C1CNC(=O)C2=CNN3C2=NC(CC3C(F)(F)F)C4=CC=C(C=C4)Br)C 1 2.144 6 1 0 -6.85051021431532 5767122 CC1=C(C(=NN1C)C)CNC(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC=CS4 1 1.658 6 1 0 -8.47394345056535 5767088 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CNN4C3=NC(CC4C(F)(F)F)C5=CC(=CC=C5)OC 1 3.814 4 4 0 -14.0503729242618 5767082 CC(C)(C)NC(=O)C1=CNN2C1=NC(CC2C(F)(F)F)C3=CC(=CC=C3)OC 1 1.795 4 2 0 -7.62328389625529 5767069 COC1=CC=CC(=C1)C2CC(N3C(=N2)C(=CN3)C(=O)NCC4CCCO4)C(F)(F)F 1 1.222 4 3 0 -10.4215777898027 5767037 COCCNC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CC=CO3)/C#N 1 1.538 4 4 0 -27.5392196225872 5767029 CCN=C1N(C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)NCC4=CC=CO4)/S1)CC 1 3.43 4 3 0 -18.569441397562 5767023 COCCNC(=O)CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NC3CC3 1 1.262 4 3 0 -26.3256148308825 5767022 COCCNC(=O)CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NC3CCCC3 1 2.175 4 3 0 -25.8120086507153 5767009 CCN=C1N(C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)NCCOC)/S1)CC 1 2.534 4 3 0 -19.5346719886922 5766997 COCCNC(=O)CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NCC3=CC=CO3 1 1.538 4 4 0 -26.5497722664369 5766988 COC1=CC=C(C=C1)/C=C(/C(=O)NNC(=O)CCN2CCOCC2)\NC(=O)C3=CC=CC=C3 1 1.089 4 5 0 -19.9441957242074 5766987 C1COCCN1CCC(=O)NNC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 1.106 4 4 0 -19.9962047941959 5766967 C1=CC(=C(C=C1Cl)C(=O)O)C2=CC=C(O2)/C=C/C3=NC(=O)NC(=C3)C(F)(F)F 1 4.574 2 4 -0.742314028169807 5766946 CC1=C(C(=O)/C(=C\C2=CC=C(O2)CNS(=O)(=O)C3=CC=CC=C3)/N1)C(=O)OC 1 1.394 2 6 0 -16.3979006822783 5766945 CC1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=C(O2)/C=C(/C#N)\C(=O)NCC3=CN=CC=C3 1 1.795 5 4 0 -21.7662343503767 5766943 C1=CC(=CN=C1)CNC(=O)/C(=C\C2=CC=C(O2)CNC(=O)C(=O)NC3=CC(=CC(=C3)Cl)Cl)/C#N 1 2.637 5 4 0 -20.7634152322954 5766915 CC(=C(C(=O)NN/C(=C/1\C=CC=CC1=O)/C)NC(=O)C2=CC=CC=C2)C 1 1.891 3 3 0 -10.2960400842501 5766876 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)NC(C)C(=O)O)/NC(=O)C3=CC=CC=C3 1 3.581 2 7 0 -29.7256890213086 5766870 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C\C2=CC=CC=C2F)/NC(=O)C3=CC=CC=C3 1 3.721 2 4 -19.718478984872 5766869 CN1C2=CC=CC=C2N=C1/C(=C/C3CCC=CC3)/C#N 1 4.011 3 0 -3.79474184786135 5766851 CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)/C(=C\C3=CC(=CC=C3)OC)/SC2=S 1 2.753 3 5 0 -15.4989697198251 5766844 C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)NNC(=O)C4=CN=CC=C4 1 1.806 4 5 0 -20.1579702641937 5766840 C1=CC(=CC(=C1)Br)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CN=CC=C3 1 2.786 4 3 0 -16.1148505672761 5766838 CN1CCN(CC1)C(=O)CCN2C(=O)/C(=C/C3=CC(=CC=C3)Br)/SC2=S 1 3.266 3 2 -10.1135275167553 5766837 C1COCCN1CCCNC(=O)CCN2C(=O)/C(=C\C3=CC(=CC=C3)Br)/SC2=S 1 2.992 3 3 -18.3845230718004 5766811 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(O2)/C=C(/C#N)\C(=O)NCCOC 1 1.668 3 5 0 -21.629585347211 5766810 COCCNC(=O)/C(=C\C1=CC=C(O1)CNS(=O)(=O)C2=CC=CC=C2)/C#N 1 1.181 3 5 0 -22.5255949864471 5766805 CNC(=O)/C(=C\C1=CC=C(O1)CNS(=O)(=O)C2=CC=C(C=C2)Cl)/C#N 1 1.977 3 4 0 -15.640699945715 5766797 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CNC(=O)/C(=C/C1=CC=C(C=C1)OCCOC2=CC=CC=C2)/C#N 1 2.96 2 3 -12.8055779475688 5766238 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=O)/C=C/C(=O)O)C 1 0.759 3 5 0 -13.4857278788737 5766233 C/C(=C/C(=O)C)/N1C(C2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC=CC=C4 1 3.895 2 2 -4.52071268573881 5766218 CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N)OS(=O)(=O)C2=CC=CC=C2 1 2.606 2 5 0 -19.3997625115199 5766212 C1=CC=C(C(=C1)/C=C/C(=O)NCCCN2C=CN=C2)Cl 1 1.974 3 1 0 -3.54237266313429 5766180 CC(C)CN1C(/C(=C(\C2=CC=CC=C2)/O)/C(=O)C1=O)C3=CC=CC=C3OC 1 3.551 1 4 -7.86982584041179 5766174 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])CCO 1 2.522 3 4 0 -4.79904850096821 5766088 C1COCCN1CCCNC(=O)/C(=C/C2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 2.089 3 3 -20.6814249866554 5766074 C1CS(=O)(=O)CC1NC(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC=CC=C3 1 0.897 2 5 0 -23.0106405296537 5766042 CC\1=NN(C(=O)/C1=C/NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.025 5 5 0 -13.8001227258238 5766036 C1CCC2=C(C1)C(=O)/C(=C(/NCC3CCCO3)\O)/C(=O)N2 1 0.884 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CC1=CC=CC(=C1)C(=O)/C=C\2/C3=CC=CC=C3CC(N2C)(C)C 1 4.616 1 1 -2.78044427674717 5765844 CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)C)OS(=O)(=O)C4=CC=C(C=C4)C 1 4.384 4 5 0 -24.8704951003261 5765843 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C)OC 1 4.035 4 5 0 -23.9773798282791 5765826 C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNS(=O)(=O)C2=CC=CC=C2 1 2.844 3 3 -9.40872350671897 5765817 CC1=CC(=C(C=C1)C)OCCN2C=C(C3=CC=CC=C32)/C=C(/C#N)\C(=O)NCC4CCCO4 1 4.807 3 3 -17.3686571137179 5765815 CC1=CC(=C(C=C1)C)OCCN2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NCC4=CC=CS4 1 5.772 3 2 -14.7315908688916 5765807 C1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NCC4=CC=CO4 1 4.241 3 3 -15.6177540545671 5765784 C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 1.521 4 5 0 -19.3433679579612 5765765 COC1=CC=C(C=C1)/C=C(\C(=O)NCCCC(=O)O)/NC(=O)C2=CC=CC=C2Cl 1 2.693 2 5 0 -26.0661766083383 5765757 C1=CC=C(C=C1)/C=C/C=C(\C(=O)NCCCC(=O)O)/NC(=O)C2=CC=CC=C2Cl 1 3.178 2 4 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COCCNC(=O)C1=CNN2C1=NC(CC2C(F)(F)F)C3=CC=CO3 1 3.8e-002 4 3 0 -14.1413901006748 5764425 CCC(C)NC(=O)C1=CNN2C1=NC(CC2C(F)(F)F)C3=CC=CS3 1 1.977 4 1 0 -13.2006380883634 5764375 C1CC(OC1)CNC(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC=C(C=C4)F 1 1.714 4 2 0 -9.25061340256339 5764262 CC1CC(N2C(=N1)C=C(N2)C(=O)O)C(F)(F)F 1 0.337 3 2 0 -2.8032075638284 5764239 CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC(=NC=N3)NN/C=C/4\C=CC=C(C4=O)OC 1 2.441 6 2 0 0.309661663236136 5764238 CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC(=NC=N3)NN/C=C/4\C=CC=CC4=O 1 2.753 6 1 0 -0.321879039828101 5764138 CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3CCCO3)C4=CC(=C(C=C4)OC)OC)/O 1 3.188 1 6 0 -14.6682977770801 5763976 CC(=C1C=CC(=O)C=C1)NNC(=O)CSC2=NC3=CC=CC=C3N2C 1 2.177 4 2 -9.09251519158509 5763951 CCN1C2=CC=CC=C2N=C1SCC(=O)NNC=C3C=C(C(=O)C(=C3)OC)OC 1 1.388 4 4 0 -7.42635115898752 5763920 CC1=C(C=CO1)C(=O)NNC=C2C=C(C(=O)C(=C2)OC)OC 1 -0.369 2 5 0 -1.43335583355303 5763901 C1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)O)/NC(=O)C3=CC=CC=C3 1 2.876 2 3 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-1.52050818522017 5763789 CC1=C(CC(C(C1)C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)C(=O)O)C 1 0.312 2 3 0 0.799048477982168 5763757 CC1=C(C=C(C=C1)S(=O)(=O)NN/C=C/2\C=C(C(=O)C(=C2)OC)[N+](=O)[O-])[N+](=O)[O-] 1 0.52 4 8 0 -5.40298546793393 5763735 CC(C(=O)O)NC(=O)/C(=C/C1=CC=CC=C1)/NC(=O)C2=CC=CC=C2OC 1 1.944 2 5 0 -22.0613509062448 5763731 COC1=CC=CC=C1C(=O)N/C(=C\C2=CC=C(C=C2)Br)/C(=O)NCCC(=O)O 1 2.456 2 5 0 -23.4933639749022 5763728 COC1=CC=CC=C1C(=O)N/C(=C\C2=CC=C(C=C2)Br)/C(=O)NCC(=O)O 1 2.208 2 5 0 -20.66327498288 5763722 COC1=CC=CC=C1C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NCC3=CC=CO3 1 2.743 2 4 -21.0395008020594 5763719 COC1=CC=CC=C1C(=O)N/C(=C\C2=CC=C(C=C2)Br)/C(=O)NCCCO 1 2.249 2 4 -18.3035665496631 5763716 COC1=CC=CC=C1C(=O)N/C(=C\C2=CC=C(C=C2)Br)/C(=O)NCCO 1 2.187 2 4 -19.2516582339137 5763704 C1=CC=C2C(=C1)C=C(O2)C(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 2.279 3 2 1.67766419276289 5763688 C1COCCN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=CC=C4Br 1 2.405 2 5 0 -19.7966917911645 5763681 C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NCCO)\NC(=O)C3=CC=C(C=C3)Br 1 1.971 2 5 0 -19.5065467107957 5763583 CC(=C1C(=O)N(C(=O)N(C1=O)C)C)NNC(=O)N 1 -1.836 5 4 0 -10.7007490223487 5763546 CCN(CC)C1=CC(=C(C=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3N2)OCC 1 4.769 4 1 -4.59395124132091 5763534 C1=CC=C(C(=C1)NC(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C#N)O 1 2.574 3 4 0 -10.2211207288051 5763525 C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)NN/C=C/4\C=C(C=C(C4=O)Br)[N+](=O)[O-] 1 1.667 7 3 0 -7.10092732279321 5763459 CC(C)COC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NN/C=C/3\C=C(C(=O)C(=C3)OC)[N+](=O)[O-] 1 2.001 5 7 0 -10.5861836853796 5763449 COC1=C/C(=C/NNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4)/C=C(C1=O)[N+](=O)[O-] 1 2.392 5 7 0 -8.41457618291697 5763354 COC1=CC=C(C=C1)N/C=C\C(=O)C2=CC3=C(C=C2)OCO3 1 2.794 1 4 -2.78334631814219 5763346 CN(C)C1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)[N+](=O)[O-] 1 3.758 2 3 -1.04415321055856 5763342 COC1=CC(=CC(=C1OC)OC)C(=O)C(=C2NC3=CC=CC=C3N2)C#N 1 3.069 3 4 0 -10.4107933991757 5763337 CCC(=O)N1CCN(CC1)CCNC=C2C(=O)N(C(=O)N(C2=O)C)C 1 -1.215 5 4 0 -18.0204584997897 5763336 CN(C)CCCN/C=C/1\C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4 1 3.022 5 1 -4.94343604955314 5763322 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=CC=C4 1 1.877 6 5 0 -15.4226975749583 5763302 C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC=CC=C3F 1 4.636 1 0 3.48989210154212 5763301 CN1C(=NC2=CC=CC=C2C1=O)/C=C/C3=CC=C(C=C3)Cl 1 3.831 2 1 -1.80203761592522 5763292 CCCCN1C(=O)/C(=C/C=C\2/C(C3=CC=CC=C3N2C)(C)C)/SC1=S 1 5.371 2 1 3.41348941957643 5763241 COC1=C/C(=C/NNC(=O)CN(CC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3)/C=CC1=O 1 0.428 3 6 0 -14.8263556988686 5763232 CCOC1=C/C(=C/NNC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)/C=CC1=O 1 1.037 4 6 0 -18.9651024069247 5763051 CC(C)COC1=CC=C(C=C1)C/C(=N/N2C=NN=C2)/N 1 1.498 5 1 0 -3.13026609457385 5762896 COC1=CC=CC=C1/C=C\2/C(=O)N=C(S2)NNC(=O)C3=CC(=CC=C3)Br 1 3.768 3 3 -5.91760570622096 5762895 C1=CC=C(C=C1)COC2=CC=CC=C2/C=C\3/C(=O)N=C(S3)NNC(=O)C4=CC=CC5=CC=CC=C54 1 5.511 3 3 -4.87815325885788 5762894 COC1=CC(=C(C=C1)OC)/C=C\2/C(=O)N=C(S2)NNC(=O)C3=CC4=CC=CC=C4C=C3 1 3.911 3 4 0 -3.90947095230967 5762833 CCCCC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/C3=CC=C(O3)C)/C#N 1 5.859 2 1 -8.79628573954268 5762790 COC1=C(C=C(C=C1)C(=O)/C=C\NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC)OC 1 3.285 4 7 0 -19.4244148736648 5762777 C1CCN(CC1)C(=O)CCN2C(=O)/C(=C\C3=CC=CC=C3)/SC2=S 1 3.478 2 2 -15.1651547083579 5762776 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C(CC3=CC=CC=C3)C(=O)O 1 4.552 1 4 -8.10479070649951 5762772 C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 4.325 2 2 2.31127897660228 5762771 COC1=CC=C(C=C1)N2/C(=C/C=C\3/C=CC(=O)C(=C3)OC)/NC4=CC=CC=C4C2=O 1 3.657 2 4 -2.86613418424398 5762749 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2)NNC=C3C=CC(=O)C=C3 1 1.186 5 3 0 -4.30162959112445 5762732 C1=CC=C2C(=C1)N=C(S2)N3C(=O)/C(=C/NCC4=CN=CC=C4)/C(=N3)C(F)(F)F 1 2.668 5 1 -6.09272450908705 5762726 CCC(CC1=CC=CC=C1)NC(=O)/C=C/C2=CC=CO2 1 3.707 1 2 -4.96798404227413 5762722 CC(C)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2CCCO2)OC 1 2.397 2 4 -21.7746793316052 5762720 C1CC(OC1)CNC(=O)/C(=C/C2=CC=CS2)/C#N 1 1.657 2 2 0 -19.3203967041405 5762717 CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2CCCO2)OCC(=O)N 1 0.873 3 5 0 -26.0988462975542 5762712 COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NCC2CCCO2)[N+](=O)[O-])OC 1 1.565 3 6 0 -23.3872316457793 5762519 CCOC1=C/C(=C/NNC(=O)C(=O)NC)/C=C(C1=O)Br 1 -0.814 3 4 0 -6.2211973749235 5762499 C1=CC(=NC2=C(C3=C(C=C2)NON3)[N+](=O)[O-])C(=O)C=C1 1 2.161 4 4 0 -0.549542814194686 5762489 C1CCC(CC1)NC(=O)/C(=C\C2=CC=C(C=C2)OCC3=CC=CC=C3)/C#N 1 4.77 2 2 -12.9002997044704 5762474 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)CC3=CC=CS3 1 1.75 3 1 0 -7.90677502957373 5762464 CC(C)N1C2=CC=CC=C2/C(=N/NC(=O)C3COC4=CC=CC=C4O3)/C1=O 1 2.469 3 4 0 -5.03928132667726 5762418 CC1=CC=C/C(=C\NNC(=O)C2=CC=C(C=C2)Cl)/C1=O 1 2.117 2 2 -3.93690380898006 5762414 COC(=O)CN1C2=CC=CC=C2/C(=N/NC(=O)C3=CC4=C(C=C3)OCO4)/C1=O 1 1.445 3 6 0 -10.5848831731785 5762397 C1CCN(C1)C(=O)/C(=C\C2=CC=CC=C2Cl)/NC(=O)C3=CC=CC=C3 1 3.326 2 2 -15.6964029340943 5762396 C1CCN(C1)C(=O)/C(=C\C2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 2.867 2 2 -17.2756554888482 5762395 C1CCN(C1)C(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 2.556 3 4 0 -20.0819303016707 5762394 COC1=C(C=C(C=C1)/C=C(\C(=O)N2CCCC2)/NC(=O)C3=CC=CC=C3)OC 1 2.629 2 4 -22.2896411129503 5762389 CN1CCN(CC1)C(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 2.052 4 4 0 -18.033409377321 5762388 CN1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 2.052 4 4 0 -17.67936244097 5762386 COC1=C(C=C(C=C1)/C=C(/C(=O)NCC2=CC=CO2)\NC(=O)C3=CC=CC=C3)OC 1 2.727 2 5 0 -24.3635644139726 5762384 CC1=CC(=C(C=C1)NN=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-] 1 1.034 5 5 0 -11.6779247826582 5762113 CC1=CC=CC=C1OCCNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 3.518 2 4 -7.82820921318455 5762115 CC1=C(C=C(C=C1)OCCNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C 1 4.004 2 4 -8.35253948177617 5762165 C1CCC2=N/C(=C/3\C(=C(NN3)N)C#N)/C=C2C1 1 -0.134 5 0 0 -5.65280906154445 5762148 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)O)OC 1 1.469 4 7 0 -18.5737235354729 5762147 CC\1=NN(C(=O)/C1=C(/C)\NCCCN2C=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 0.733 6 3 0 -7.42835099197247 5762138 CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C)C 1 -6.7e-002 6 3 0 -10.6619747126955 5762132 CC1=CC2=C(C=C1)OC(=N2)/N=C(\N)/NC(=O)C 1 0.692 4 2 0 1.39953545802218 5762034 C1CCC2(CC1)/C(=C/C#N)/N3C4=CC=CC=C4N=C3O2 1 3.653 3 1 -0.582749148347793 5762063 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=CC=C3)C(=O)/C=C/C(=O)O 1 2.756 2 6 0 -5.54377212289064 5762048 C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])/C=C/C(=O)O 1 2.514 3 5 0 -2.11151442638829 5762046 COC1=C(C(=C(C(=C1)/C=C\2/C(=O)N=C(S2)NC3=CC(=C(C=C3)Cl)C(=O)O)Br)Br)O 1 5.312 2 5 0 -6.06242398832792 5762015 C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=CC=CO3)/SC2=S 1 1.95 1 4 0 -14.3167162983914 5762009 COCCCNC(=O)/C=C/C1=C(C=C(C=C1)Cl)Cl 1 2.766 1 2 -6.27432413912164 5762008 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCCCN3C=CN=C3 1 1.68 4 3 0 -16.1240139805849 5762007 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCCCN3C=CN=C3 1 1.194 4 3 0 -17.017055774619 5761997 COC1=CC=C(C=C1)C(=O)/C(=C\C2=CC=CO2)/N3C=CC=CC3=C(C#N)C#N 1 2.956 3 3 -7.98613358558689 5761934 C=CCOC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCCCC3 1 3.926 2 2 -11.3024788550088 5761906 C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NC3=CC4=CC=CC=C4C=C3)/NC(=O)C5=CC=CO5 1 3.643 2 5 0 -13.9724032008098 5761888 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3 1 2.806 3 7 0 -22.3855350192579 5761886 CC(C(=O)O)NC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=CO2 1 1.25 3 7 0 -22.2655391224874 5761858 C/C=C/CSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C 1 2.523 4 2 -8.17590782791711 5761835 CCOC(=O)/C=C/C(=O)NNC(=O)C1=CC=CC=C1Cl 1 1.689 2 4 0 -8.74598280355896 5761827 CN1C2=CC=CC=C2N=C1N/C=C/3\C=CC=C(C3=O)OC 1 1.577 3 2 0 -2.29869339761975 5761786 CCCN1C2=C(N=C1SC/C=C/C)N(C(=O)NC2=O)C 1 2.669 4 2 -8.96902169543456 5761783 CC1=CC(=C(C(=C1)C)NC(=O)C2C3C2/C=C\CCCC3)C 1 4.678 1 1 -3.51456217919798 5761729 COC1=C(C(=CC(=C1)/C=C\2/C(=O)N=C(S2)NC3=CC=CC=C3)Br)OCC=C 1 5.111 2 3 -10.2521058571798 5761721 COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/C(=O)NC2=S 1 3.496 2 5 0 -6.11633829629458 5761705 C1=CC=C(C(=C1)C(=O)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])N 1 0.111 5 4 0 -6.68817406013851 5761681 CCN1C(=NC2=CC=CC=C2C1=O)/C=C\3/C4=C(C=CC(=C4)C)N(C3=O)C 1 3.123 3 2 -1.58888948575418 5761678 CCN1C2=CC=CC=C2/C(=C/C3=NC4=CC=CC=C4C(=O)N3CC)/C1=O 1 2.985 3 2 -5.74659152298499 5761677 CCN1C(=NC2=CC=CC=C2C1=O)/C=C\3/C4=CC=CC=C4N(C3=O)C 1 2.636 3 2 -3.66392170183285 5761676 CCN1/C(=C/C2=C3C=CC=CC3=NC2=O)/NC4=CC=CC=C4C1=O 1 2.597 3 2 -7.51072624860389 5761675 CCN1C(=NC2=CC=CC=C2C1=O)/C=C/C3=C(NC4=CC=CC=C43)C 1 3.955 3 1 -4.0550200532574 5761626 C1=CC=C(C(=C1)C(=O)NCC(=O)NN/C=C/2\C=CC=CC2=O)Br 1 0.815 3 3 0 -11.9784941737275 5761625 C1=CC=C(C(=C1)C(=O)NCCC(=O)NNC=C2C=CC(=O)C=C2)Cl 1 0.979 3 3 0 -11.9470424069539 5761600 CC1=NC2=C(C=CC=C2OC(=O)/C=C\C3=CC=CC=C3)C=C1 1 4.198 1 2 -3.96064860609588 5761597 CN1C\2CCC1/C(=C/C3=CC=CC=C3)/C(=O)/C2=C/C4=CC=CC=C4 1 4.426 1 1 2.15352309078004 5761593 CCC1=C/C(=C\2/C(=C(NN2)C)C3=NC4=CC=CC=C4S3)/C(=O)C=C1OCC(=O)NN 1 1.035 5 3 0 -5.22394338008031 5761591 CCC1=C/C(=C\2/C(=C(NN2)C)C3=NC4=CC=CC=C4N3C)/C(=O)C=C1O 1 2.085 4 2 -4.74409305316289 5761549 CCCCCC1=CC2=C(C3=C(CN(CC3)C)C(=O)O2)C(=C1)O 1 4.037 1 3 -3.29292240383365 5761539 CCCN1C(=O)/C(=C\C=C\2/C=CN(C3=CC=CC=C23)CC)/SC1=S 1 4.547 2 1 -5.1856469778266 5761538 CCCN1C(=O)/C(=C\C=C\2/C(C3=CC=CC=C3N2CC)(C)C)/SC1=S 1 5.263 2 1 -0.882719958279242 5761537 CCCN1C(=O)/C(=C\C=C/2\N(C3=CC=CC=C3S2)CC)/SC1=S 1 5.4 2 1 2.6869677197585 5761536 CCCN1C(=O)/C(=C/NC2=CC=CC=C2)/SC1=S 1 3.261 2 1 -7.83665482858045 5761520 C1OC2=C(O1)C=C(C=C2)/C=C/C3=C(C(=O)NC(=O)N3)[N+](=O)[O-] 1 0.714 3 6 0 -11.3301417881311 5761516 C1=CC2=C(C=C1N/C=C\3/C4=C(C=CC3=O)C=C(C=C4)Br)NC(=O)N2 1 2.761 3 2 -9.11797764135713 5761510 CCOC(=O)/C=C/C(=O)N1CCN(CC1)C(=O)/C=C/C(=O)OCC 1 0.432 2 6 0 -6.06508320392857 5761453 C1OC2=C(O1)C=C(C=C2)C3C(=C(C(=O)N3CCO)O)C(=O)/C=C/C4=CC=CC=C4 1 2.072 1 6 0 -14.5787181813732 5761452 C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)N(C2C3=CC=CC=C3[N+](=O)[O-])CCO)O 1 2.199 2 6 0 -14.3128539949505 5761414 CC1=C(SC2=NC=NC(=C12)NNC3=C4C=CC=CC4=NC3=O)C 1 2.334 5 1 -3.94477574223229 5761382 C1=CC(=C(C=C1Cl)Cl)C(=O)NNC(=O)/C=C/C(=O)O 1 1.779 2 4 0 -2.87794465877466 5761341 CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=CC=C(C=C3)OC)O 1 5.153 1 5 -11.2547355142167 5761279 COC1=C/C(=C/NNC(=O)CC#N)/C=C(C1=O)Br 1 -0.458 3 3 0 -4.8992184960842 5761206 C/C=C/CN1C2=C(N=C1SCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C 1 3.866 4 2 -10.7443788547431 5761205 C/C=C/CN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C 1 4.044 4 2 -8.92238016415628 5761203 C/C=C/CN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C 1 3.38 4 2 -11.5591937595227 5761192 CC(=C(C(=O)NNC=C1C=CC(=O)C=C1)NC(=O)C2=CC=CC=C2)C 1 1.377 3 3 0 -7.87176866410573 5761184 CC1=CC=C(C=C1)S(=O)(=O)N(C)N/C=C/2\C=C(C(=O)C(=C2)OC)[N+](=O)[O-] 1 0.832 3 6 0 -1.97025498389431 5761117 CC1=NC2=CC=CC=C2N1CC(=O)NN=C/C=C/C3=CC=CC=C3 1 2.877 4 1 -1.72860880897298 5761073 COC1=CC=C(C=C1)/C=C/C2=N/C(=C\3/C=CC=CC3=O)/N(N2)C4=CC=CC=C4 1 4.443 3 2 -2.06909115684692 5761072 COC1=CC=C(C=C1)/C=C\C2=NC(=O)C3=CC=CC=C3O2 1 3.592 1 3 1.09824756068307 5761066 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/C(=O)NCCO 1 1.3 3 8 0 -22.3829966258487 5761065 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/C(=O)NCC(=O)O 1 1.321 3 9 0 -23.794613374815 5761061 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Br)/C(=O)NNC(=S)N 1 2.693 4 2 -15.4903000440543 5761059 CCN(CC)C(=O)/C(=C\C1=CC=NC=C1)/NC(=O)C2=CC=CC=C2 1 1.747 3 2 0 -15.8825970807725 5761057 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=NC=C2)/C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.126 4 4 0 -21.2407481977454 5761054 CC(=O)C1=CC(=CC=C1)NC(=O)/C(=C/C2=CC=NC=C2)/NC(=O)C3=CC=CC=C3 1 2.16 3 3 -17.527138228213 5761053 COC1=CC=CC=C1NC(=O)/C(=C/C2=CC=NC=C2)/NC(=O)C3=CC=CC=C3 1 2.404 3 3 -19.04382383362 5761049 CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=NC=C2)/NC(=O)C3=CC=CC=C3 1 2.907 3 2 -15.5703521639055 5761037 CN(C)C1=CC=C(C=C1)/C=C(/C(=O)C2=C(C=C(C=C2)Cl)Cl)\N3C=NC=N3 1 4.439 4 1 -3.59707123815489 5761023 CCOC(=O)/C=C(/C)\N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.687 3 5 0 -6.68358726725073 5760981 C1=CC=C(C=C1)/C=C/C(=O)/C=C\2/C(=O)OC3=C(N2)C=CC(=C3)[N+](=O)[O-] 1 3.227 2 5 0 -4.53514069920234 5760829 CC1=CC(=CC(=C1)N2C(=O)/C(=C/C3C(=NN(C3=O)C4=CC=CC=C4)C)/C(=O)NC2=O)C 1 2.888 4 4 0 -2.23983145110628 5760790 CCOC1=C/C(=C/NN/C=C\2/C=CC(=O)C(=C2)OCC)/C=CC1=O 1 0.215 2 4 0 -1.81458942852671 5760788 CCC1(OC(=C/C(=C/C=C2C(=O)NC(=O)NC2=O)/O1)C3=CC=CC=C3)C 1 1.747 2 5 0 -4.45098899334702 5760727 CCOC1=C/C(=C\2/C=C(NC(=C2C#N)N)C3=CC=C(C=C3)N)/C=CC1=O 1 1.019 4 2 0 -3.88336409815561 5760722 C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)N(CC3=CC4=C(C=C3)OCO4)C(=O)/C=C/C(=O)O 1 2.198 2 7 0 -6.56054394667476 5760685 COC1=C/C(=C/C(=C\2/NC(=CS2)C3=CC4=CC=CC=C4OC3=O)/C#N)/C=CC1=O 1 2.462 2 4 -3.3163166800245 5760622 CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CO3 1 2.302 3 3 -15.0712902138998 5760562 CC1=CC=C(C=C1)C2=C/C(=C/C3=CC=CS3)/C(=O)O2 1 3.99 0 2 -1.16127596594995 5760569 CCOC1=C/C(=C\2/C=C(NC(=C2C#N)N)C3=CC=C(C=C3)NC(=O)C)/C=CC1=O 1 0.886 4 3 0 -9.47444731076315 5760564 CC1=C(SC(=C1C(=O)N)N/C=C/2\C=CC=C(C2=O)OC)CC3=CC=CC=C3 1 2.906 2 3 -4.40883535025446 5760487 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=CS3 1 4.423 1 3 -6.49152076020983 5760486 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=CS3)F 1 4.645 1 2 -6.1630597956624 5760485 COC1=C(C=C(C=C1/C=C/C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)Cl)Cl 1 5.752 1 3 0.29142624861771 5760482 COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)OC 1 4.407 1 4 -7.23374594242153 5760474 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)Br 1 4.63 1 3 -1.05394697087302 5760510 CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 3.328 1 4 -3.87767975193158 5760507 COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Br)OCC4=CC=CC=C4 1 5.876 3 2 -1.17477480406108 5760488 C1=CC(=CC(=C1)Br)C(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=CS3 1 5.188 1 2 -4.01652291040255 5760438 CC1=CC=C(C=C1)N2C(=O)/C(=C\NC3=NC=C(C=C3)Br)/C(=O)NC2=O 1 2.138 4 3 0 -4.591988922187 5760441 CC1=CC=C(C=C1)N2C(=O)/C(=C\NC3=CC=C(C=C3)S(=O)(=O)N)/C(=O)NC2=O 1 1.179 4 5 0 -9.97520128690284 5760442 CC1=CC=C(C=C1)N2C(=O)/C(=C\NC3=CC=C(C=C3)S(=O)(=O)NC)/C(=O)NC2=O 1 1.385 4 5 0 -11.5203310309635 5760443 CC1=CC=C(C=C1)N2C(=O)/C(=C\NC3=CC=C(C=C3)S(=O)(=O)N(C)C)/C(=O)NC2=O 1 1.591 4 5 0 -9.87583938538606 5760451 C1C2(CN3CN1CN(C2)C3)N/C=C\4/C(=O)NC(=O)N(C4=O)C5=CC=CC=C5 1 -0.163 6 3 0 -6.46818991141214 5760387 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CCC1=CC=C(C=C1)OCCCN/C=C\2/C(=O)NC(=S)N(C2=O)CC=C 1 2.71 3 3 -12.623391413473 5760282 C1=CC=C2C(=C1)N/C(=C(\C#N)/C(=O)C3=CC=C(C=C3)F)/S2 1 4.057 2 1 -4.66886042412521 5760277 CN1CCN(CC1)NC(=O)CN2C(=O)/C(=C/C3=C(C=CC=C3Cl)Cl)/SC2=O 1 2.208 4 3 0 -4.78737099638989 5760275 C1=CC(=CN=C1)NC(=O)CCN2C(=O)/C(=C/C3=CC=C(C=C3)F)/SC2=S 1 2.986 3 2 -12.3831557130456 5760273 CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2 1 2.272 3 2 -16.291834776881 5760270 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)O 1 1.083 4 5 0 -15.0210746439131 5760267 CC(C1=CC=CC=C1)NC(=O)/C(=C/C2=CC=CO2)/C#N 1 2.701 2 2 -15.0622544346198 5760265 CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CN=CC=C2)O 1 1.868 3 3 0 -13.2407083815038 5760259 COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2CCCO2)OC 1 1.67 2 4 0 -21.3618826358907 5760257 C1CC(OC1)CNC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C#N 1 1.598 3 4 0 -19.4108245344373 5760254 C1CC(OC1)CNC(=O)/C(=C/C2=CC=CO2)/C#N 1 1.098 2 3 0 -19.4630335239012 5760250 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5 3 0 -8.74732432801011 5758016 CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=N/NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])O)/C2=O 1 2.745 5 6 0 -4.5517215631911 5758009 CC(C)(C)C1=NN(C(=C1)C(=O)NNC=C2C=CC(=O)C=C2)C3=CC=CC=C3 1 3.353 4 2 -1.37149764803354 5757916 COC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N/C=C/2\C=CC=CC2=O 1 3.484 2 3 -15.2390741708035 5757884 COC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)C(CC3=CC=CC=C3)C(=O)O 1 4.552 1 4 -8.08509107241816 5757875 CN\1C2=CC3=C(C=C2S/C1=C\C(=O)C4=CC=C(C=C4)Cl)OCO3 1 4.798 1 3 4.93646606526278 5757797 CCCCN1C(=O)/C(=C/C=C\2/C=CC3=CC=CC=C3N2CC)/SC1=S 1 5.273 2 1 1.54573694245974 5757793 CCCCN1C(=O)/C(=C/C=C\2/CC(CN2C)(C)C)/SC1=S 1 4.085 2 1 -7.27786280802389 5757723 CCOC1=C/C(=C/NNC(=O)C(C)SC2=CC=CC=C2)/C=CC1=O 1 1.921 2 3 0 -5.80274542890409 5757714 CCOC1=C/C(=C/NNC(=O)CN2CCCCC2)/C=CC1=O 1 0.302 3 3 0 -5.64341239373732 5757650 CC(=C1C=CC(=O)C=C1)NNC(=O)C(C2=CC=CC=C2)OC 1 1.311 2 3 0 -15.502337870254 5757648 CCOC1=C/C(=C/NNC(=O)C(C2=CC=CC=C2)OC)/C=CC1=O 1 0.834 2 4 0 -17.2125346588904 5757590 COC1=CC=C/C(=C\NNC(=O)C(=O)NN/C=C\2/C(=O)C(=CC=C2)OC)/C1=O 1 -1.959 4 6 0 -5.09805705461441 5757585 CC1=C(C=C(C=C1)/C=C\2/C(=O)NC(=S)N2)[N+](=O)[O-] 1 2.211 3 3 -9.85909134800736 5757581 COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CO3)/C(=O)NC2=S 1 2.924 2 4 0.160297818924602 5757579 C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CNC4=CC=CC=C43)/C(=O)NC2=O 1 2.947 3 3 0.340941672332954 5757539 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\3/C(=NN(C3=O)C4=CC(=CC=C4)Cl)C 1 2.929 6 3 0 -11.8404234908864 5757502 CC1=C(C=C(C=C1)N2C(=O)/C(=C/NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)/C(=N2)C)C 1 2.833 5 3 0 -11.0613602536221 5757496 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)C)C)OC 1 3.819 4 4 0 -11.2218056167107 5757494 CC1=CC=C(C=C1)N2C(=O)/C(=C/NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)/C(=N2)C 1 2.347 5 3 0 -10.2516165780456 5757492 CC1=CC=C(C=C1)N2C(=O)/C(=C/NC3=NC=C(C=C3)Br)/C(=N2)C 1 2.526 4 1 -4.48109201980003 5757481 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C)OC 1 3.333 4 4 0 -10.6567898696354 5757480 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)N/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C)OC 1 3.333 4 4 0 -9.02659009702051 5757479 CCOC(=O)C1=C(C(=C(S1)N/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C)C#N)C 1 3.023 4 3 0 -16.4383608222482 5757467 CC1=C(C=C(C=C1)N2C(=O)/C(=C/NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])/C(=N2)C)C 1 2.15 5 4 0 -9.51250584334988 5757447 C1=CC(=O)/C(=C/NN2C(=NN=N2)N)/C=C1Cl 1 -0.728 6 1 0 -6.37727057082239 5757392 C1CC(OC1)CN/C(=C\2/C(=O)C3=CC=CC=C3NC2=O)/O 1 0.901 2 4 0 -13.4889711196243 5757382 C1=CC=C2C(=C1)N=CN2C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 3.361 3 3 -3.02694309883743 5757303 C/C(=C/CN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C)/Cl 1 2.579 4 2 -11.9863512085897 5757257 C1=CC=C2C=C(C=CC2=C1)/C=C\3/C(=O)NC(=S)S3 1 3.749 1 1 4.405430998582 5757248 CC\1=NN(C(=O)/C1=N/NC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.706 6 3 0 -1.64934077380424 5757136 C1=CC=C(C=C1)C\2=NN(C(=O)/C2=N/NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4 1 3.5 5 2 0 -12.3792385236257 5757130 CC(=O)C1=CC(=CC=C1)N/N=C/2\C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.237 4 2 -10.8629582276401 5757129 CC(=O)C1=CC=C(C=C1)N/N=C/2\C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.237 4 2 -12.0260862225151 5757029 C1=C/C(=C\NNC(=S)N)/C(=O)C(=C1)O 1 -0.415 3 2 0 -4.18929540994597 5756988 CCN1C(=O)/C(=C/NC2=CC=CC=C2)/OC1=S 1 2.179 2 2 -3.42693078418723 5756985 CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-])/C=C\3/N(C4=C(S3)C=CC(=C4)OC)CC 1 4.316 2 5 0 4.90977188513005 5756971 CN(/C=C/C(=C\C=[N+](C)C1=CC=CC=C1)/OCCCS(=O)(=O)[O-])C2=CC=CC=C2 1 0.961 2 4 0 -8.7314193612818 5756955 CCN\1C2=CC=CC=C2O/C1=C\C=C/3\C(=O)SC(=N3)SCC 1 4.68 2 2 -2.73193136343669 5756839 C1=CC(=CC(=C1)[N+](=O)[O-])N/N=C\2/C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.151 7 5 0 -7.35120581654761 5756838 C1=CC=C(C(=C1)N/N=C\2/C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.151 7 5 0 -7.8199249688612 5756833 C1=CC(=CC=C1C\2=NN(C(=O)/C2=N\NC3=CC=C(C=C3)Cl)C(=S)N)[N+](=O)[O-] 1 3.921 6 3 0 -4.61930180947673 5756832 C1=CC(=CC(=C1)Cl)N/N=C\2/C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.921 6 3 0 -3.57562762963392 5756791 C/C(=C\1/C=C(C=CC1=O)O)/NNC(=O)CSCC2=CC=CC=C2Cl 1 2.047 2 3 -10.0942571102835 5756577 COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CC=CC=C3OC 1 3.156 3 5 0 -18.8604540604059 5756576 COC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CC=CC=C3OC 1 3.156 3 5 0 -19.2849131138199 5756571 C1CS(=O)(=O)CC1NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 1.678 1 3 0 -11.6329306500295 5756550 C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C\4/C(=O)NC(=S)S4 1 4.944 2 1 3.59564105373388 5756549 CC\1(C2=CC=CC=C2N(/C1=C\C=C/3\C(=O)NC(=S)S3)C)C 1 3.836 2 1 12.3622822746881 5756548 CC\1(C2=CC=CC=C2N(/C1=C/C=C(/C#N)\C(=O)N)C)C 1 2.134 3 1 3.36251152042629 5756371 CCN1C2=NC(=O)N(C(=O)C2=NC(=N1)/C=C/C3=CC=CC=C3)C 1 2.047 5 2 0 4.62526800250732 5756367 C1=CC=C(C=C1)/C(=N/S(=O)(=O)C2=CC=CC=C2)/NC#N 1 2.382 3 2 -10.6127161809055 5756361 CC1=C(C=C(C=C1)N/N=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)Br 1 4.058 4 1 -2.9182379356905 5756357 CC1=C(C=CC=C1Cl)N/N=C/2\C(=NN(C2=O)C3=CC=CC=C3)C 1 3.974 4 1 -1.59450819027298 5756350 CC\1=NN(C(=O)/C1=N/NC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4 1 3.732 4 1 -2.97863675297911 5756349 CC\1=NN(C(=O)/C1=N/NC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3 1 2.453 4 3 0 -7.26629706953808 5756347 CC\1=NN(C(=O)/C1=N/NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 2.718 5 3 0 -6.50936814097542 5756345 CC1=CC(=C(C=C1)N/N=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)C 1 3.796 4 1 -4.12389572911356 5756344 CC1=CC=CC=C1N/N=C/2\C(=NN(C2=O)C3=CC=CC=C3)C 1 3.31 4 1 -4.09466040513918 5756343 CC\1=NN(C(=O)/C1=N/NC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3 1 4.152 4 1 -1.87248676767836 5756342 CC\1=NN(C(=O)/C1=N/NC2=C(C=CC=C2Cl)Cl)C3=CC=CC=C3 1 4.152 4 1 -2.17443032707755 5756334 C1=CC=C(C=C1)/C=C(/C#N)\C2=NN(C(=C2C#N)N)CCO 1 1.451 5 1 0 -9.5744445508109 5756168 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(C=C3)OC 1 4.149 5 5 0 -12.248625664425 5756050 C1=CC=C(C=C1)C2=CN=C(N=C2)NN/C=C/3\C=C(C=CC3=O)Br 1 1.848 4 1 0 0.996980303566059 5756036 C1CCN(CC1)C2=CC(=C(C=C2/C=C(\C#N)/C3=NN(C(=C3C#N)N)C4=CC=CC=C4)[N+](=O)[O-])N5CCCCC5 1 5.62 8 2 0 -10.8625504205678 5756028 C1=CC(=CC=C1/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO)/C=C(/C#N)\C3=NN(C(=C3C#N)N)CCO 1 1.072 10 2 0 -10.2288196759441 5755921 CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)C3=CC=CC=C3Cl 1 4.136 3 1 -7.80237155140272 5755870 CC1=C(C2=CC=CC=C2N1)C(=O)/C=C/C3=CC=CC=C3Cl 1 4.805 1 1 3.81231228294169 5755365 C1=CC(=CC(=C1)Br)C(=O)/C=C/NNC(=O)C2=CC(=CC=C2)Br 1 3.447 2 2 -1.58653138665454 5755207 CN1C(=C(C=N1)N/C=C/2\C=CC=CC2=O)C(=O)NC3=CC=CC=C3OC 1 1.808 4 3 0 -11.1146378851359 5755204 CCCC1CCC(CC1)C2=CC=C(C=C2)/C(=N/O)/N 1 4.254 2 1 2.88450238873201 5755180 C/C(=C\C(=O)C(C(C(F)(F)F)(F)F)(F)F)/NNC(=O)C1=CC=C(C=C1)OC 1 2.845 2 3 -5.26049691264936 5755155 C1=CC=C(C=C1)/C(=C/C(=O)C(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-])/O 1 1.572 3 6 0 -10.0848329051821 5755145 C1COCCN1C(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.677 4 7 0 -22.5307873910516 5755140 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCC3=CC=CO3 1 2.155 2 4 -19.5466390340043 5755139 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)N(C)C)/C(=O)NCC3CCCO3 1 3.002 3 3 -25.2589260388999 5755133 C1CC(OC1)CNC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=C(C=C3)Cl 1 2.413 2 4 -20.0050176947881 5755127 C1CC(OC1)CNC(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 2.248 3 5 0 -25.8417319515048 5755123 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)OC)/C(=O)NCC3CCCO3 1 2.823 2 4 -23.0106058694314 5755121 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)NCC3CCCO3 1 3.504 2 3 -20.7756409697004 5755116 C1CC(OC1)CNC(=O)/C(=C\C2=CC=C(C=C2)Cl)/NC(=O)C3=CC=CC=C3 1 3.018 2 3 -21.5712885372098 5755111 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NCC3CCCO3 1 2.839 2 3 -22.7695834773716 5755105 C1CC(OC1)CNC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 2.353 2 3 -23.8582625069292 5755095 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NCC3CCCO3 1 2.793 2 3 -22.8845769960152 5755085 C1CC(OC1)CNC(=O)/C(=C\C2=CC=CC=C2F)/NC(=O)C3=CC=CC=C3 1 2.559 2 3 -21.7128271608536 5755005 C1=CC=C(C(=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)NN)Cl 1 1.914 3 2 0 -13.8919656663647 5754917 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=C(O3)Br 1 4.228 2 5 0 -21.3643958370313 5754840 C1=CC=C(C=C1)C2=N/C(=C\C=C\C3=CC=CC=C3[N+](=O)[O-])/C(=O)O2 1 3.675 2 4 -1.84957559461592 5754835 C1CCN(C1)CC(=O)NN/C=C/2\C(=O)C=CC3=CC=CC=C32 1 0.86 3 2 0 -2.50779886619568 5754800 CC(C)NC(C(Cl)(Cl)Cl)NC(=O)/C=C/C1=CC=CC=C1 1 3.632 2 1 -11.8245804682918 5754795 CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=CC=CC=C3/C(=N/NC(=S)N)/C2=O 1 0.579 4 8 0 -13.6988974006951 5754774 C1=CC=C(C=C1)/C=C/C=C(\C(=O)NCCC(=O)O)/NC(=O)C2=CC=CC=C2 1 2.192 2 4 -18.3053671271456 5754772 CCCOC(=O)/C(=C\C=C\C1=CC=CC=C1)/NC(=O)C2=CC=CC=C2 1 3.982 1 3 -8.66093410626118 5754767 C=CCOC(=O)/C(=C\C1=CC=CC2=CC=CC=C21)/NC(=O)C3=CC=CC=C3 1 4.167 1 3 -14.2608987122418 5754763 CC(C)OC(=O)/C(=C\C1=CN=CC=C1)/NC(=O)C2=CC=CC=C2 1 2.217 2 3 -15.7419455682656 5754760 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(O2)[N+](=O)[O-])/C(=O)NCCO 1 0.869 3 6 0 -17.5768096512163 5754759 CCCCOC(=O)/C(=C\C1=CC=C(O1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2 1 3.384 2 6 0 -13.0492500057824 5754758 CCCOC(=O)/C(=C\C1=CC=C(O1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2 1 2.928 2 6 0 -11.6853951953064 5754757 CCOC(=O)/C(=C\C1=CC=C(O1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2 1 2.405 2 6 0 -10.7039932446765 5754756 CCCCNC(=O)/C(=C\C1=CC=C(O1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2 1 2.737 3 5 0 -19.8982081036906 5754748 CC(C)OC(=O)/C(=C\C1=CC2=C(C=C1)N(C3=CC=CC=C32)C)/NC(=O)C4=CC=CC=C4 1 5.067 2 3 -11.6519461249298 5754674 COC1=C/C(=C/NNC(=O)C(=O)NC2=CC=CC=N2)/C=CC1=O 1 -0.651 4 4 0 -4.25905759242597 5754673 C1=CC=NC(=C1)NC(=O)C(=O)NN/C=C/2\C=CC=CC2=O 1 -0.339 4 3 0 -6.82531357157563 5754640 COC1=C/C(=C/NNC(=O)CC(=O)NC2CCCCC2)/C=CC1=O 1 0.277 3 4 0 -6.48426155878334 5754517 COC1=CC=C/C(=C\NNC(=O)C(=O)NCC2=CN=CC=C2)/C1=O 1 -1.183 4 4 0 -11.949360154174 5754516 CCOC1=C/C(=C/NNC(=O)C(=O)NCC2=CN=CC=C2)/C=CC1=O 1 -0.834 4 4 0 -11.9573237383785 5754515 COC1=C/C(=C/NNC(=O)C(=O)NCC2=CN=CC=C2)/C=CC1=O 1 -1.183 4 4 0 -10.0146448780885 5754471 C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5 1 4.512 2 3 -7.11105420684291 5754388 COC1=C/C(=C/NNC(=O)C2=CC(=CC=C2)N3CCCC3=O)/C=CC1=O 1 0.276 3 4 0 -13.8735145779447 5754304 C=CCN1C2=CC=CC=C2/C(=N/NC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)/C1=O 1 4.156 5 2 0 -12.9164405786325 5754255 CC1=CC2=C(C(=O)N=C2C=C1)NNC3=NC4=CC=CC=C4S3 1 2.315 4 1 -0.26976376199758 5754245 C1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=N/NC(=S)N)/C2=O 1 2.67 4 1 -1.14295729432278 5754241 CC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3/C(=N/NC(=O)C4=CC=CC=C4O)/C2=O 1 2.85 4 4 0 -6.9543789572596 5754238 C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=N/NC(=O)C4=CC=CC=C4O)/C2=O 1 2.364 4 4 0 -4.54634031964066 5754230 C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=N/NC(=S)N)/C2=O 1 1.723 5 2 0 -6.97151417834732 5754228 C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=N/N)/C2=O 1 1.075 4 2 0 -5.61330341783074 5754196 C1=CC=C(C=C1)C(=O)NCC(=O)NNC2=C3C=C(C=CC3=NC2=O)Br 1 0.628 4 3 0 -13.5482384888553 5754188 C/C(=C\C1=CC=C(C=C1)N)/C2=NC3=CC=CC=C3N2 1 3.438 3 0 6.76720490107076 5754158 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 0.276 7 4 0 -3.42628673412311 5754148 CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)OC)C3=C(C(=C(C(=C3F)F)F)F)F 1 4.045 2 2 -4.1012406807022 5754108 C1=CC=C(C(=C1)N/N=C\2/C=CC(=O)C(=C2)C=O)Cl 1 2.823 2 2 -2.71315147032082 5754077 CCOC(=O)/C(=C/C1=C2C=CC=CC2=CC3=CC=CC=C31)/NC(=O)C4=CC=CC=C4 1 4.807 1 3 -6.95018139852371 5753962 C/C(=C\C(=O)C(C(C(F)(F)F)(F)F)(F)F)/NNC(=O)C1=CC(=CC=C1)OC 1 2.845 2 3 -5.80832886291032 5753957 CC\1=NN(C(=O)/C1=C(/C2=CC=CC=C2)\NC3=C(C=C(C=C3)OC)OC)C4=CC=CC=C4 1 4.091 3 3 -8.42408189197791 5753952 CC\1=NN(C(=O)/C1=C(/C)\NNC(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 1.797 4 2 0 -8.24429358893199 5753949 CC1=CC=C(C=C1)C(=O)/C=C/NNC(=O)C2=CC=CC=C2O 1 2.194 2 3 1.88420780754439 5753894 CCOC(=O)/C(=C\C1=C(CC(OC1)(C)C)N2CCOCC2)/C#N 1 0.911 2 4 0 -15.940078832534 5753884 CC(=O)NC\1C(CS/C1=C/CCCC(=O)OC)NC(=O)C2=CC=CC=C2 1 1.688 2 4 0 -16.3802275175134 5753872 COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)S2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.274 3 8 0 -0.795425383016049 5753767 C1CC2C=CC1C3C2C(=O)N(C3=O)N/C=C/4\C(=O)C=CC5=CC=CC=C54 1 1.586 2 3 0 0.508249376087148 5753762 C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)NN/C=C/3\C=CC=CC3=O 1 0.483 3 3 0 -7.52468678599906 5753704 COC1=C(/C(=C/C(=C2NC3=CC=CC=C3N2)C#N)/C=CC1=O)[N+](=O)[O-] 1 2.073 4 4 0 -11.5085255225126 5753591 CC\1=NN(C(=O)/C1=C/NNC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br 1 2.031 4 2 -5.37467111480734 5753589 CC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C4=CC=C(C=C4)Br 1 2.609 5 3 0 -9.69798103822646 5753566 CC1=CC(=C(C=C1)N2C(=O)/C(=C/NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)/C(=N2)C)C 1 2.153 4 4 0 -17.7851761210494 5753525 CC1=CC(=C(C=C1)N2C(=O)/C(=C/NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])/C(=N2)C)C 1 2.15 5 4 0 -5.99693089781891 5753523 CC1=CC(=C(C=C1)N2C(=O)/C(=C/NC3=CC=C(C=C3)S(=O)(=O)NC4=NC(=CC(=N4)C)C)/C(=N2)C)C 1 3.143 6 3 0 -8.9652784544216 5753521 CC1=CC(=C(C=C1)N2C(=O)/C(=C/NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)/C(=N2)C)C 1 2.833 5 3 0 -7.54578530809109 5753363 C1COCCN1C2=NC(=NC(=N2)NN/C=C/3\C=CC=C(C3=O)[N+](=O)[O-])NCC4=CC=CC=C4 1 0.705 8 4 0 -3.83877936361507 5753333 C1=CC=C(C=C1)C2=NNC(=S)N2NC=C3C=C(C(=O)C(=C3)Br)Br 1 2.976 4 1 -1.60317224965637 5753327 C1=CC=C(C(=C1)C(=O)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])[N+](=O)[O-] 1 0.752 5 6 0 -10.0122185527354 5753096 CC1=CC(=N/C(=C/2\C=CC=CC2=O)/N1)NN/C=C/3\C=CC=C(C3=O)OC 1 0.312 4 3 0 -7.8494183471976 5753078 CC1=NC(=NC(=C1)C2=CC=CC=C2)NN/C=C/3\C=CC(=O)C=C3O 1 1.569 4 2 0 2.25390714278986 5752945 CC1=NC(=CC(=N1)Cl)NN/C=C/2\C=CC(=O)C=C2O 1 0.824 4 2 0 -2.03160058188003 5752892 CC1=CC=C/C(=C\NN2C(=NNC2=S)C3=CC=CC=C3)/C1=O 1 2.517 4 1 -5.98323900441474 5752889 CC\1=C(C(=C(C(=O)/C1=C/NN2C(=NNC2=S)C3=CC=CC=C3)Br)O)Br 1 2.884 4 2 -3.06562387491397 5752808 CCOC1=C/C(=C/NNC(=O)NC2=CC=CC=C2)/C=CC1=O 1 0.951 3 3 0 -3.89957686826677 5752756 C1=C/C(=C\NN2C=NN=C2)/C(=O)C(=C1)[N+](=O)[O-] 1 -0.89 5 3 0 -5.08828316066315 5752711 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 0.963 4 5 0 -8.20044253468653 5752531 COC1=C(C=C(C=C1)C/C(=N/N2C=NN=C2)/N)Cl 1 0.97 5 1 0 -2.54849410350047e-002 5752530 CCOC1=CC=C(C=C1)C/C(=N/N2C=NN=C2)/N 1 0.655 5 1 0 -0.759696805033093 5752526 CC1=CC2=C(C(=O)N=C2C=C1Br)NNC(=O)C3CC3C4=CC=CC=C4 1 2.392 3 2 -4.98202821059724 5752498 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C/3\C(=O)OC(=N3)C4=CC=CC=C4 1 4.934 1 5 -16.1694528380383 5752381 CC1=CC=CC=C1NC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C 1 2.393 2 2 -14.3150448621213 5752321 CC1=CC=CC=C1/C(=N/O)/N 1 1.385 2 1 0 0.136012918990046 5752240 CC1=CC=C(C2=C(C(=O)N=C12)NNC3=CC=CC=C3)Cl 1 2.696 3 1 -2.27184157504644 5752181 CCCCSC1=NC2=C(C3=CC=CC=C3N2)N=N1 1 4.096 4 0 -11.2544916720069 5752025 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)OC 1 3.844 4 5 0 -18.4079973378634 5752022 C1=CSC(=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.892 3 3 -13.591780877387 5752018 C1=CC=C2C(=C1)C3=CC=CC=C3C2=NN/C=C/4\C=CC=C(C4=O)[N+](=O)[O-] 1 2.894 3 3 -5.11230711489623 5752007 CN(C)C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=S)S2)C3=CC=CC=C3 1 5.253 2 1 7.90580574755305e-002 5752001 CC1=CC=CC=C1N/C(=C\2/C(=NON2)N)/N=O 1 1.274 5 2 0 -3.90513783330137 5751951 CC\1=NN(C(=O)/C1=C/C2=C(C=C(C=C2)OC)OC)C3=CC(=CC=C3)F 1 3.207 2 3 -2.45656430675605 5751802 CCOC1=CC(=C(/C(=C/NC2=CC=C(C=C2)NC(=O)C)/C1=O)Br)Br 1 2.161 2 3 -7.55839846944796 5751684 C1COCCN1CC(=O)NN/C=C/2\C(=O)C=CC3=CC=CC=C32 1 8.6e-002 3 3 0 -5.26087359127585 5751662 C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CO3)/NC2=S 1 3.008 2 2 -1.48330081372371 5751659 C1CS(=O)(=O)CC1NC(=O)/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)Cl)/NC(=O)C4=CC=C(C=C4)Cl 1 4.036 2 5 0 -17.3388594207194 5751473 C1=COC(=C1)C(=O)OC2=CC=C(C=C2)/C=C/3\C(=O)NC(=S)S3 1 3.668 1 4 -1.93297361708003 5751386 CCC1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)N/C=C/4\C=CC=C(C4=O)OC)/N2 1 2.837 2 4 -4.01658383347649 5751340 C1=CC(=CN=C1)C(=O)NNC=C2C=C(C(=O)C(=C2)Br)Br 1 0.761 3 2 0 -3.36199655500348 5751332 C1COCCN1CCC(=O)NN/C=C/2\C=C(C=C(C2=O)Br)Br 1 0.189 3 3 0 -5.08513457268917 5751277 C1CC2=C3C=C(C=CC3=NC2=C(C1)NCCO)Br 1 1.449 2 1 0 -3.27433248645385 5751261 CCN1C2=CC(=C(C=C2[N+](=C1/C=C/N(C3=CC=CC=C3)C(=O)C)CCCS(=O)(=O)[O-])Cl)Cl 1 2.139 3 4 0 2.16889960487558 5751236 CCN1C(=O)/C(=C/C=C/2\N(C3=CC=CC=C3S2)CCO)/SC1=S 1 3.988 2 2 1.57804780708774 5751075 C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/3\C(=O)NC(=O)S3 1 3.509 1 3 3.21867558298032 5751064 C1=CC(=CC=C1/C=C/C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.527 4 4 0 3.45206973530496 5751033 COC1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)S2 1 1.925 1 3 0 3.64287714302696 5751004 CC(C)(C)NC(=O)/C(=C/C1=CC=CC=C1F)/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.026 3 4 0 -19.7616010408088 5750985 CN(C)CCCNC(=O)/C(=C\C1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 3.295 4 5 0 -17.0369955236947 5750932 C/C=C/C=C/C(=O)NC1=NC=CS1 1 1.515 2 1 0 -4.9582898597303 5750899 CCOP(=O)(C1=C(OC(=N1)/C=C/C2=CC=CC=C2)NCC3=CC=CC=C3)OCC 1 4.115 2 4 -1.14062034850589 5750890 C1=CC=C2C=C(C=CC2=C1)C3=NC4=C(O3)C=CC(=C4)N=C/C=C/C5=CC(=CC=C5)[N+](=O)[O-] 1 6.04 3 3 25.1488592843404 5750828 COC1=C/C(=C/NNC(=O)C2=CN=CC=C2)/C=C(C1=O)Br 1 -4.e-003 3 3 0 -1.59789287802963 5750824 CC1=CC\2=C(C=C1)N(C(=O)/C2=N\NC(=O)N)C 1 0.582 4 2 0 -3.81953149227474 5750774 C1=CC=C(C(=C1)NC2=NC(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/S2)Cl 1 4.338 3 3 -4.84896487272551 5750692 C1=COC(=C1)/C=C/C(=O)NCCCCCC(=O)O 1 1.864 1 4 0 -15.0129209867156 5750686 CC(=O)OC1C(C2=C(C=CC(=C2O)/C=C/C(=O)N3CCCCC3)OC1(C)C)N4CCCCC4 1 3.659 2 5 0 -7.25523503190067 5750648 CC(C)OC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)C2=CC=CC=C2 1 3.368 1 3 -15.253521194524 5750590 CC1=C(C(=NN1C)C)/C=C/C(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.108 2 1 4.35365075854387 5750547 C1=CC(=C(C=C1O)O)/C=C/2\C(=O)NC(=O)S2 1 1.458 1 4 0 9.44558800634305 5750514 CC1(C2CCC1(C(C2)NC(=O)/C=C/C3=CC=CC=C3)C)C 1 3.839 1 1 -3.99430403341712 5750492 CCCOC(=O)/C(=C\C=C\C1=CC=CO1)/NC(=O)C2=CC=CC=C2 1 3.377 1 4 -9.96953699838582 5750365 C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=CC(=C2)Cl)Cl 1 6.962 3 1 -12.8538949149416 5750335 C1C(N(N=C1/C=C/C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CO4 1 4.342 3 4 0 -2.27336788842829 5750306 CN1C2=C(C=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)N(C1=O)C 1 2.852 5 1 -7.94837227244053 5750144 CCCCCN1C2=CC=CC=C2C(=O)C(=C3NC4=CC=CC=C4N3)C1=O 1 4.185 3 2 -5.21767012911201 5750142 CCCN1C2=CC=CC=C2C(=O)C(=C3NC4=CC=CC=C4N3)C1=O 1 3.273 3 2 -5.30482275889215 5750137 CCO/C(=C\1/C(=O)C2=CC=CC=C2N(C1=O)CC=C)/O 1 2.167 1 4 -6.30529191572457 5750132 C1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 3.012 3 4 0 -20.4363988158388 5750116 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 3.41 3 6 0 -23.4933368391723 5750111 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.095 3 6 0 -19.1770064071239 5750108 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)NC3=CC=CC=C3 1 3.465 3 4 0 -17.9281854695462 5750101 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)NC3=CC=CC(=C3)C(=O)O 1 3.095 3 6 0 -18.7700444317124 5750053 CC1=C/C(=C(/C)\NNC2=CC(=NC(=N2)C3=CC=CC=C3)OC)/C=CC1=O 1 3.635 4 2 -1.61433280845749 5749859 CN(C)CCCNC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 3.295 4 5 0 -16.693162111181 5749834 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NC3=NC=CS3 1 1.674 2 1 0 -2.24260617727416 5749752 CC1=NC(=CC(=N1)NN/C=C/2\C=CC(=O)C=C2O)N3CCOCC3 1 -0.298 5 3 0 -2.92547611761553 5749722 CC(=C1C=CC(=O)C=C1)NNC2=NC=NC(=C2)N3CCOCC3 1 0.798 5 2 0 -1.05460281026462 5749690 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NC3=CC=CC=C3Br 1 3.898 1 1 -1.04650331630271 5749675 CN(C)C1=CC=C(C=C1)/C=C/C2=NN=NN2C3=CC=CC=C3 1 3.272 5 0 -4.37003869028546 5749610 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NC3=CC=C(C=C3)C(=O)O 1 2.779 1 3 -3.89559056500901 5749609 CC1=CC2=C(C(=O)N=C2C=C1)NNC3=CC=CC=C3C 1 2.813 3 1 -3.79852796401294 5749597 CC1=C(/C(=C/NNC2=C(C=CC=N2)[N+](=O)[O-])/C=CC1=O)O 1 0.963 4 4 0 -2.26729064979247 5749545 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)NN/C=C/3\C=CC(=O)C=C3O 1 8.6e-002 4 3 0 -7.18145669575766 5749544 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)NN/C=C/3\C=CC=CC3=O 1 0.624 4 2 0 -8.05488433159824 5749511 CC/C(=C/C1=[N+](C2=C(S1)C=CC(=C2)C)CCCS(=O)(=O)[O-])/SC 1 1.987 1 3 0 -0.654719194167716 5749486 CC(=O)/C(=C/C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)/C(=O)OCCOC 1 4.271 0 5 0.26235381037846 5749472 C1CS(=O)(=O)CC1NC(=O)/C(=C\C2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 1.708 2 4 0 -22.971992552576 5749438 CC(=O)/C=C/N1C2=CC=CC=C2OC1=S 1 2.795 1 2 6.44009254396562 5749406 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)N3CCCCC3 1 2.999 2 3 -16.7757301860599 5749374 CC1=NC(=CC(=N1)/C=C/C2=CC=CC=C2)/C=C/C3=CC=CC=C3 1 4.836 2 0 1.80130956835959 5749372 CN(C)/C=C/C1=C(C(NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-] 1 0.611 5 5 0 -16.412856850346 5749242 CCOC(=O)/C=C(\C)/N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.809 2 2 -5.46716778200808 5749233 C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC(=CC=C3)O)/SC2=S 1 4.388 1 2 -2.3034777479047 5749222 C1=CC=C(C=C1)N/C=C\2/C(=O)N(C(=S)S2)CC(=O)O 1 1.87 2 3 0 -10.9354836005105 5749163 CCN1C(=O)/C(=C/C=C\2/CCCN2C)/OC1=S 1 1.954 2 2 0 -3.26008592932675 5748605 COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)OC 1 2.591 0 5 -0.506227404847134 5748551 COC1=C2C(=CC(=C1)O)OC=C(C2=O)C3=CC=C(C=C3)O 1 2.366 0 5 4.65239175024642 5747582 CC1=CC(N2C(=N1)N=C(N2)NC(=O)CCC(=O)O)C3=CC=CC=C3 1 0.534 5 3 0 -12.0476376742534 5744756 CN(C)CCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.Cl Cl- 1 1.837 1 5 0 -6.94186760934618 5744689 CC(C)(C)C1=CC=C(C=C1)C(=O)OCCN2CCCCC2.Cl Cl- 1 4.141 1 2 -0.850811752473597 5744586 C1=CC(=CC=C1N/N=C\2/C(=NC(=NC2=O)N)N)S(=O)(=O)N 1 -0.532 7 3 0 -8.54006863697081 5744443 C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3)F 1 3.167 1 1 0.429925772360476 5743234 CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)OC 1 3.831 1 3 -2.245081871421 5742583 CC(=O)/C=C\1/N(C(=O)C(S1)CC(=O)O)C2=CC=C(C=C2)OC 1 1.644 1 5 0 -7.84825507535039 5742582 CC(C(C(=O)OCC(=O)/C(=C(\C)/N)/C#N)NS(=O)(=O)C1=CC=C(C=C1)Cl)O 1 0.207 3 6 0 -20.2369759532915 5742581 C/C(=C(/C#N)\C(=O)COC(=O)CC1CCCC1)/N 1 1.058 2 3 0 -13.3383637931977 5742580 C1C/C(=C\C2=CC=CO2)/C(=NO)C1 1 2.232 1 2 0.319567801957594 5742579 C/C(=C(/C#N)\C(=O)CSC1=NNC(=N1)C2=CC=CC=C2Br)/N 1 2.448 5 1 -8.95558547288586 5742578 CCC(=O)OC1=CC=C(O1)C/C(=C/2\C=CC(=O)C=C2O)/NO 1 1.18 1 6 0 -4.36416443310981 5742577 C/C(=C(/C#N)\C(=O)CN1CCCCC1)/N 1 0.359 3 1 0 -8.45762537045101 5742576 CC\1=CC(=O)C=C(/C1=C/2\C(=C(NO2)C(F)(F)F)C3=CSC=N3)O 1 1.381 2 3 0 -0.335473918952937 5742575 C/C(=C(/C#N)\C(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl)/N 1 2.783 3 1 -11.1589765959904 5742574 CC(C)NC1=NN=C(S1)SCC(=O)/C(=C(\C)/N)/C#N 1 0.571 5 1 0 -21.2957437287079 5742573 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CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)COC3=CC4=CC=CC=C4C=C3 1 4.206 3 2 -4.46745239733775 5742547 COC1=C/C(=C\2/C=C(NN2)C3=CC=CS3)/C(=O)C=C1 1 0.989 2 2 0 -3.73202217219283 5742542 C/C(=C(/C#N)\C(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)OC(F)F)/N 1 2.139 4 3 0 -10.9087085271762 5742538 C1CCC2=C(C1)C(N3C(=N2)N=CN3)C4=CC=CC=C4 1 1.885 4 0 0 -6.5614744950824 5742537 CC1=C(/C(=C\2/C=CC(=CC2=O)OC)/NO1)C3=NC4=CC=CC=C4C=C3 1 2.232 2 3 -3.24383301929447 5742536 C/C(=C(/C#N)\C(=O)COC1=NC=NC2=CC=CC=C21)/N 1 1.032 4 2 0 -6.07160309467012 5742535 CC1=C2C(C3=C(CC(CC3=O)(C)C)N=C2NN1)C4=CC=C(C=C4)OC 1 1.888 3 2 0 -17.3500626567763 5742534 C/C(=C(/C#N)\C(=O)COC(=O)CCSC1=CC=CC=C1)/N 1 1.448 2 3 0 -13.2776762569223 5742533 CC1=CC(=CC(=C1)C(=O)/C=C/2\NC(=O)CS2)C 1 2.659 1 2 -7.09000574310436 5742531 CCO.CC1=C2C(C3=C(CCCC3=O)N=C2N(N1)C4=CC=CC=N4)C5=CSC=C5 CCO 1 2.279 4 1 -14.8814633019137 5742529 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC(=O)C3COC4=CC=CC=C4O3)C)C 1 3.699 1 5 4.66578683839874 5742528 CCOC(=O)C1CCCN(C1)CC(=O)/C=C/2\C(C3=CC=CC=C3N2C)(C)C 1 3.372 2 3 4.93429514215456 5742526 COC(=O)C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4OC3)N=C5N2NN=N5 1 3.14 5 3 0 -7.68080081576338 5742524 CC1=CC=CN2C1=NC(=NCCO)/C(=C\NC3=CC=CC=C3)/C2=O 1 1.146 4 2 0 -11.0791070549103 5742523 CCCN1C(=O)NN=C1SCC(=O)/C(=C(\C)/N)/C#N 1 0.611 5 2 0 -19.0555233796714 5742522 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 2.467 4 2 -4.45326986201041 5742521 CC1=C(C(=CC=C1)C)NC2=NN=C(S2)SCC(=O)/C(=C(\C)/N)/C#N 1 2.394 5 1 -18.9009737147902 5742520 C1=CC=C2C(=C1)NC3=NC(=NC(N23)C4=CC=C(C=C4)F)N 1 2.801 5 0 -0.625768230234643 5742519 CCOC(=O)/C=C\1/N(C(=O)CS1)CCOC2=CC(=CC=C2)Br 1 3.073 1 4 -5.26648826721011 5742518 CCC1=C/C(=C(\CC2=NC3=CC=CC=C3C=C2)/NO)/C(=O)C=C1O 1 2.743 2 3 1.46637499837731 5742517 CC1=CSC(=NC)N1N/C=C/2\C=CC(=O)C=C2O 1 0.207 3 2 0 -5.56599858490761 5742512 C1=CC=C(C(=C1)C2N=C(N=C3N2C4=CC=CC=C4N3)N)Cl 1 2.613 5 0 -3.51797069524973 5742511 CC1=CSC(=NC)N1NC=C2C=CC(=O)C=C2 1 0.745 3 1 0 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C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC3=NN/C(=C/4\C=CC=CC4=O)/O3 1 2.575 3 4 0 -4.97932258712437 5740367 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3 1 4.834 6 1 0 -12.514888543641 5740366 C1CCC2C(C2C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])/C=C\C1 1 3.114 2 3 -3.80459500759197 5740364 CN1C2=C(N=C1OC/C=C/C3=CC=CC=C3)N(C(=O)N(C2=O)C)C 1 2.476 4 3 0 -8.11460519829113 5740355 C1CN(CCC12OCCO2)C(=O)C3C/C(=C/4\C=CC=CC4=O)/NO3 1 -0.469 2 5 0 -15.0471359963101 5740341 CCCC1=C2C(C(=C(N=C2ON1)N)C#N)C3=C(C=CC(=C3)Br)F 1 2.893 4 1 -7.79650687136487 5740317 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CSC3=NN/C(=C\4/C=C(C=CC4=O)Cl)/N3C 1 3.105 6 2 0 -20.1564547820854 5740304 CC(=O)OC1=C(C=C(C=C1/C=C/C2=NC3=CC=CC=C3C=C2)Cl)Cl 1 5.527 1 2 4.92256423072883 5740298 CC(=O)OC1=C(C=C(C=C1)Cl)/C=C/C2=NC3=CC=CC=C3C(=C2)OC(=O)C 1 4.63 1 4 4.94200508351211 5740288 CC(=O)OC1=C(C=C(C=C1/C=C/C2=NC3=CC=CC=C3C=C2)Cl)OC 1 4.846 1 3 3.30365174775385 5740287 CC(=O)OC1=C(C=C(C=C1/C=C/C2=NC3=C(C=CC=C3OC)C=C2)OC)[N+](=O)[O-] 1 4.06 2 6 0 -3.0050493483353 5740281 CC1=C(C(N=C2N1NN=N2)C3=CC4=CC=CC=C4O3)C(=O)OC 1 2.656 5 3 0 -8.27811881887053 5740248 CCOC1=CC=CC(=C1OC(=O)C)/C=C/C2=NC3=CC=CC=C3C=C2 1 4.531 1 3 0.735549369070635 5740245 CC(=O)OC1=C(C(=C(C=C1)/C=C/C2=NC3=CC=CC=C3C=C2)[N+](=O)[O-])OC 1 4.076 2 5 0 1.2501777862652 5740237 C1=CC=C(C=C1)/C=C/C2=NC(=NO2)C3=CC=NC=C3 1 2.462 3 1 5.38382339761577 5740209 C1CCC(C1)(C2=CC=CC=C2)C(=O)NC3=C/C(=C/4\NC5=CC=CC=C5O4)/C(=O)C=C3 1 4.455 2 3 -10.9569508681568 5740170 COC1=CC=C(C=C1)NC(=O)C2CC(=O)N3C4=CC=CC=C4NC3=N2 1 1.632 4 3 0 -6.83864449205261 5740162 CC(C)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)/C=C(/C#N)\C3=NC4=CC=CC=C4N3)OC 1 5.375 4 3 0 -10.8465194610956 5740156 C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2/C=C\C3=C(C(=O)NC(=O)N3)[N+](=O)[O-] 1 1.566 4 6 0 -16.3946848122108 5740153 C1C(N=C2NN=CN2C1=O)C(=O)NC3=CC=C(C=C3)F 1 0.292 5 2 0 -7.08862466925725 5740149 COC1=C(C=CC(=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3N2)OC4=C(C=CC=N4)[N+](=O)[O-] 1 4.404 5 4 0 -7.06918668409567 5740140 C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2/C=C\C3=NC(=C(C(=O)N3)[N+](=O)[O-])O 1 2.186 4 6 0 -13.737724977063 5740138 CCC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)/C=C(/C#N)\C3=NC4=CC=CC=C4N3)OC 1 5.123 4 3 0 -10.0426906304079 5740130 C1CCC(C1)(C2=CC=C(C=C2)Br)C(=O)NC3=C/C(=C/4\NC5=CC=CC=C5O4)/C(=O)C=C3 1 5.203 2 3 -9.31302881601286 5740122 CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC=CC=C3C(=O)O)/C#N 1 3.693 3 2 -1.40250810146477 5740112 C1=CC(=CC(=C1)Cl)/C=C\C2=NC(=C(C(=O)N2)[N+](=O)[O-])O 1 2.231 3 4 0 -4.00961396114983 5740080 C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)NC3=C/C(=C/4\NC5=CC=CC=C5O4)/C(=O)C=C3 1 5.119 2 3 -7.85636907091142 5740061 C1=CC(=CC(=C1)C(F)(F)F)/C=C\C2=NC(=C(C(=O)N2)[N+](=O)[O-])O 1 2.509 3 4 0 -2.34286582681868 5740058 COC1=C(C(=CC(=C1)Br)/C=C\C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC#C 1 3.474 3 6 0 -6.90962063229964 5740026 C1CCC(C1)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C/C(=C/4\NC5=CC=CC=C5O4)/C(=O)C=C3 1 4.349 3 5 0 -11.7727655488555 5740023 C1=CC(=CC(=C1)F)/C=C\C2=NC(=C(C(=O)N2)[N+](=O)[O-])O 1 1.772 3 4 0 -4.69872975728933 5740001 CCC1=C(C2=CC(=C(C(=C2OC1=O)CN(CC)CC)O)Cl)C 1 4.442 1 3 -0.483066476712216 5739993 C=CCN1/C(=C/2\C=CC=CC2=O)/NN=C1SCC(=O)NC3=CC4=C(C=C3)OCO4 1 2.459 4 4 0 -24.5471236570557 5739979 CC1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)/C=C\C3=C(C(=O)NC(=O)N3)[N+](=O)[O-] 1 2.052 4 6 0 -13.4580223014076 5739974 C=CCN1/C(=C/2\C=C(C=CC2=O)Br)/NN=C1SCC3=CC=CC=C3C#N 1 3.97 4 1 -19.9362563508139 5739958 CC1=CC=C(O1)C(=O)/C=C(\C)/NC2=CC3=C(C=C2)OCO3 1 2.865 1 4 -1.90407023517231 5739955 CCOC1=CC=C(C=C1)N/C(=C/C(=O)C2=CC=C(O2)C)/C 1 3.429 1 3 -0.126690030762593 5739942 CC1=C(/C(=C/2\C(=C(NN2)C)C3=CN(N=C3)C4=CC=CC=C4)/C=CC1=O)O 1 1.727 4 2 0 -1.11220376924191 5739939 CCC1=C(C2=CC(=C(C(=C2OC1=O)CN(C)C)O)Cl)C 1 3.744 1 3 1.06174015290849 5739922 CC1=CC=C(O1)C(=O)/C=C(\C)/NC2=CC=C(C=C2)C(=O)OC 1 2.952 1 4 -2.0326774352825 5739891 CCC(C)OC1=C(C=C(C=C1)/C=C\C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OCC 1 2.512 3 6 0 -16.0097985750382 5739885 CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CN(C)C)C 1 3.288 1 3 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COC1=CC(=C(N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S)C=C(C1=O)OC 1 4.35 2 3 -3.71863337119601 5739695 COC1=C/C(=C(/N2CCCC2)\S)/C=C(C1=O)Cl 1 2.339 1 2 2.09994167455776 5739690 COC1=C(C=CC(=C1)[N+](=O)[O-])N/C=C/C(=O)C2=CC=CS2 1 2.874 2 4 -7.83201263670436 5739681 CC1=CC=C(O1)C(=O)/C=C(\C)/NC2=C(C=C(C=C2)C(=O)O)C 1 3.213 1 4 -3.54492160346397 5739636 CSC1=NC2=C(C3=C(C=CC(=C3)Br)N=CO2)N=N1 1 3.577 4 1 3.01238419843588e-002 5739634 CC1=CC(=C2C(=C1)/C(=C/3\C(=O)N=C(S3)N4CCCCCC4)/C(=O)N2)Br 1 3.931 3 2 -6.20762970971303 5739630 CC(=O)OC1=C(C=C(C=C1)Cl)/C=C/C2=NC3=CC=CC=C3C=C2 1 4.863 1 2 4.59910122519767 5739622 CC(=O)COC1=CC=CC2=C1N=C(C=C2)/C=C/C3=CC=C(S3)Br 1 4.518 1 2 -3.80423405784322 5739604 C/C(=C\C(=O)C1=CC=C(C=C1)F)/NC2=CC=C(C=C2)N3CCOCC3 1 3.612 2 2 -0.36806196830544 5739595 CC1CCN(CC1)/C(=C/2\C=CC=CC2=O)/S 1 2.991 1 1 -5.86500121873351 5739594 C1=CC=C2C(=C1)N=C(S2)/C(=C\C3=CC=C(O3)C4=CC(=CC(=C4)C(=O)O)C(=O)O)/C#N 1 4.61 2 5 0 -6.62488221970815 5739589 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CC1=C(C(N2C(=N1)N=NN2)C3=CC=CC=N3)C(=O)NC4=CC=CC=C4OC 1 2.252 7 2 0 -18.278494692577 5738872 CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)/C#N 1 3.925 4 4 0 -5.39209879954379 5738868 CCOC(=O)C1=C(N=C2N=CNN2C1C3=C(C(=CC=C3)OC)OC)C4=CC=CC=C4 1 2.197 4 4 0 -13.2285344582971 5738863 COC1=CC=CC=C1C2CC(N=C3N2NC=N3)C4=CC=C(C=C4)Cl 1 3.35 4 1 2.25075086865562 5738848 CC1=C(SC(=N1)N)C2=NN=C(N2CC=C)SC/C=C/C3=CC=CC=C3 1 3.901 5 0 -2.01085821272798 5738837 COCCOCCN1C2=CC=CC=C2N=C1/C=C/C3=CC=CC=C3 1 3.682 2 2 1.12931994126702 5738821 CC1C/C(=C\C2=CC=CC=C2F)/C3=C(C1)C(NC(=S)N3)C4=CC=CC=C4F 1 5.88 2 0 -11.6836156103998 5738789 COC1=CC=CC(=C1)C2CC(N=C3N2NC(=N3)N)C4=C(C=C(C=C4)Cl)Cl 1 3.883 5 1 4.80041366478611 5738776 CC1=CC=CC=C1NC(=O)C2=C(N=C3N=C(NN3C2C4=CN=CC=C4)CCCO)C 1 0.887 6 2 0 -15.6287986629474 5738752 CC1=C(C(N2C(=N1)N=C(N2)C3=CC=CC=C3)C4=CC=CC=N4)C(=O)NC5=CC=CC=C5OC 1 2.473 6 2 0 -15.2242706636542 5738747 C1C(N=C2N=CNN2C1C3=CC=CC=C3)C4=CC=C(C=C4)F 1 2.262 4 0 2.91727338119327 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2.51417974149534 5738404 CC(C)(C)NC(=O)CSC1=NN/C(=C\2/C=CC=CC2=O)/N1CC=C 1 2.046 4 2 -27.2553818243184 5738400 C1=CC=C(C(=C1)/C=C/C2=NC(=NO2)C3=CC=CC=N3)Cl 1 3.555 3 1 3.92509929685979 5738387 CCCCSC1=NC2=C(C3=CC=CC=C3N=CO2)N=N1 1 4.157 4 1 -6.55415122449036 5738369 CC1CCCCN1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)O 1 4.657 1 3 4.6074989051133 5738340 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC(=C4)C(=O)O 1 4.268 3 5 0 -11.3481980158015 5738335 CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC(=CC(=C2)OC)OC)C 1 1.205 5 2 0 -6.04777835760493 5738327 CC1=CC=C(S1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2 1 3.676 3 0 1.48858495265131 5738286 C1=CC=C(C(=C1)/C=C/C2=NC(=NO2)C3=CN=CC=C3)Cl 1 3.126 3 1 3.14735349528407 5738276 CCOC(=O)C1=C(N=C2N=CNN2C1C3=CC4=C(C=C3)OCO4)C 1 0.763 4 4 0 -18.3070697351562 5738268 CN1C=CC=C1/C=C(\C#N)/C2=CC=CC=C2 1 3.246 2 0 -7.65260807077617 5738266 C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=C(O3)SC4=CC=C(C=C4)Cl)/C#N 1 5.88 3 1 5.01140118156491 5738263 C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CN=CC=C4 1 3.6 3 1 -2.97376306356789 5738261 COC1=CC=C(C=C1)/C=C(\C(=O)N2CCCC2=O)/NC(=O)C3=CC=CO3 1 1.619 2 5 0 -18.8375772247569 5738251 CCOC(=O)C1=C(N=C2N=NNN2C1C3=CNC4=CC=CC=C43)C 1 2.81 6 2 0 -16.8216150399562 5738245 COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)OC)OC)/NC(=O)C3=CC=CO3 1 2.917 2 6 0 -18.664192519897 5738238 CC1=C2C(SCC(=O)N=C2N(N1)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5 1 2.632 3 3 -11.2962356225395 5738236 C1=CC(=CC(=C1)N2C=CC=C2/C=C(/C#N)\C3=CC=C(C=C3)F)C(=O)O 1 4.658 2 2 -3.88225932029982 5738230 CSC1=CC=C(C=C1)/C=C(\C(=O)NCC2=CC=CO2)/NC(=O)C3=CC=CO3 1 2.697 2 4 -16.7485396211802 5738226 C1CCCN(CC1)C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3 1 2.863 3 5 0 -19.5242342314479 5738220 CN1C(=O)/C(=C/2\C3=CC=CC=C3NC2=O)/NC1=S 1 0.951 3 2 0 -9.42736248664929 5738192 CC1=C2C(SCC(=O)N=C2N(N1)C3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC 1 2.815 3 4 0 -12.9553135292682 5738190 CC(C)(C)NC(=O)/C(=C\C1=CC=CO1)/NC(=O)C2=CC=CO2 1 1.716 2 4 0 -18.5306955828431 5738182 C1=CC(=CC(=C1)N2C=CC=C2/C=C(/C#N)\C3=CC=C(C=C3)Cl)C(=O)O 1 5.117 2 2 -2.77213765517826 5738149 CC1=CC(=C(C=C1)C)/C(=C\2/C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CN=CC=C4)/O 1 2.002 4 3 0 -3.64955213672564 5738120 CCC(=O)NC1=CC=CC(=C1)C(=O)/C=C/C2=CC=CS2 1 3.442 1 2 -5.17761986031604 5738117 CC(=O)OC1=C(C(=C(C=C1)/C=C/C2=NC3=C(C=CC=C3OCC4=CC=CC=C4)C=C2)[N+](=O)[O-])OC 1 5.643 2 6 0 -3.96311789657038 5738116 CC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC=C2)NC(=O)C 1 3.308 1 2 -2.84394431495322 5738109 CC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=C(C=CC(=C2)Br)OC 1 3.554 1 3 -4.54532617784939e-002 5738104 CCC(=O)NC1=CC=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)F 1 3.694 1 2 -2.0656667457299 5738100 CCN1C(=O)/C(=C\NCCC2=CNC3=CC=CC=C32)/C(=O)NC1=O 1 1.104 4 3 0 -11.9618178976251 5738090 CC(C)CC(C(=O)OC)NC(=O)/C=C/C1=CC=C(C=C1)Cl 1 3.593 1 3 -11.9397805796732 5738082 CC1=C(C(NC(=S)N1)/C=C/C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 1 4.404 2 2 -17.485937499103 5738076 C1=CNC(=C1)/C=C/C(=O)C2=CC=C(C=C2)F 1 3.292 1 1 3.93099292210523 5738061 C1=CC=C(C=C1)CCN2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=CC=C4 1 5.071 2 1 -2.6282714921301 5738020 CCN1C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4C)/C(=O)NC1=O 1 2.478 4 4 0 -11.735844584635 5738011 CC1CN(CC(O1)C)C(=O)/C(=C\C2=CC=CC=C2)/C 1 2.6 1 2 -10.7221513370233 5738010 CC1=CC(=C(N1C2=CC=CC=N2)C)/C=C/3\C(=O)N(C(=O)S3)C(C)C(=O)OC 1 2.895 3 4 0 -9.64027516417812 5738002 CCOC(=O)C1CCCN(C1)C(=O)/C=C/C2=CC=C(C=C2)OC 1 2.506 1 4 -8.93588555681244 5737996 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)N4CCOCC4 1 2.142 2 5 0 -20.8028741277661 5737994 COC1=CC=C(C=C1)OCC(CNC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])O 1 2.505 2 6 0 -8.42387767584022 5737987 C#CCN1C2=CC=CC=C2C(C1=O)(CC(=O)/C=C/C3=CC=CO3)O 1 2.885 1 4 -8.92148867743299 5737946 CC(COC)NC(=O)/C=C/C1=CC=C(C=C1)OC 1 1.736 1 3 0 -9.56962632997184 5737937 CCOC(=O)C1CCCN(C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.417 2 5 0 -10.6883600836606 5737930 CC(=O)NC1=CC=C(C=C1)N2C(=O)C(=C(N2)C3=CC=CC=C3)/C=C/4\C=CC(=O)C(=C4)OC 1 1.944 3 4 0 -4.89969450683249 5737924 CC1=C(C(N2C(=O)CCSC2=N1)/C=C/C3=CC=CC=C3)C(=O)OCC=C 1 3.539 2 3 -23.3452363805065 5737914 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCOCC4)S(=O)(=O)NCC5=CN=CC=C5 1 2.666 5 3 0 -10.1051208729709 5737910 CC(COC)NC(=O)/C(=C/C1=CC=CC=C1)/C2=CC=CC=C2 1 3.231 1 2 -9.43539536532691 5737899 C/C(=C\C1=CC=CC=C1)/C(=O)NCCCN2C=CN=C2 1 1.756 3 1 0 -7.22532137172986 5737890 CC1CC(CN(C1)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])C 1 3.162 2 3 -7.00201669513685 5737877 CC1=CC(=C(N1CCOC)C)/C=C/2\C(=O)N(C(=O)N2)C3=CC(=CC=C3)Cl 1 2.643 3 3 -7.58011039747905 5737875 CC1=C(OC2=C1C=C(C=C2)F)C(=O)/C=C/C3=CC=CS3 1 4.942 0 2 9.12447868905037 5737863 CC1=CC=C(C=C1)/C=C(/C(=O)NC(CC2=CC=CC=C2)C(=O)O)\NC(=O)C3=CC=CC=C3 1 4.002 2 4 -21.398939051815 5737848 C1=CC=C(C=C1)/C=C(\C(=O)NC2=CC=CC(=C2)C(=O)O)/NC(=O)C3=CC=CC4=CC=CC=C43 1 4.109 2 4 -14.7279604451594 5737830 CC1=CC=C(C=C1)/C=C(/C(=O)N2CCCC2C(=O)O)\NC(=O)C3=CC=CC=C3 1 2.764 2 4 -17.49273035863 5737822 CC1=C(C=CC(=C1)N2CCOCC2)/C=C\3/C(=O)N(C(=O)S3)C(C)C=C 1 3.478 2 3 -1.90562881194129 5737804 COC1=CC2=C(C=C1/C=C/3\C(=O)N(C(=O)N3)CC(=O)NC4=CC=CC=C4)OCO2 1 1.33 3 6 0 -10.5057583996388 5737802 CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC4=C(C=C3)N(C(=O)N4C)C)/C(=N2)C)C 1 3.281 4 2 -12.3021208348843 5737793 CCN1C(=O)/C(=C\C2=CSC=C2)/SC1=O 1 2.159 1 2 -3.84192751681299 5737792 CC1CC(CN(C1)C(=O)/C(=C\C2=CC=CC=C2)/C3=CC=CC=C3)C 1 4.746 1 1 -7.9119545054253 5737786 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CC=C3OCC(=O)OC)/N(C2=S)CC(=O)OC 1 3.879 2 7 0 -11.0336705766144 5737776 CC1=C(C(NC(=S)N1)/C=C/C2=CC=CC=C2)C(=O)OCCOC 1 2.69 2 3 -19.7442074699811 5737760 C1=CC=C(C(=C1)/C=C/C(=O)NCCCN2C=CN=C2)[N+](=O)[O-] 1 1.204 4 3 0 -6.15216672796876 5737754 C1CC(OC1)CNC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 1.759 2 4 0 -11.4021706035366 5737744 CN(CC(COC1=CC=C(C=C1)OC)O)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 2.711 2 6 0 -6.73174056408591 5737736 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)OC)/C(=O)N3CCCCC3 1 3.587 2 3 -17.9593196701164 5737733 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NC(CC3=CC=CC=C3)C(=O)O 1 4.002 2 4 -20.77523530139 5737732 CC\1=NN(C(=O)/C1=C/C2=CC3=C(C=C2)N(C(=O)N3C)C)C4=CC=C(C=C4)F 1 2.514 4 2 -10.4523656352872 5737730 CC\1=NOC(=O)/C1=C\C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl 1 4.246 1 3 12.4983935268126 5737728 CCOC(=O)C1CCCN(C1)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.417 2 5 0 -9.45689507086625 5737727 CC1=CC(=NC(=N1)SC/C=C/C2=CC=CC=C2)C.Cl Cl- 1 3.73 2 0 -1.33584627251658 5737725 COC1=C(C=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OCCO)OC)/CC2)OCCO 1 3.536 0 7 0 -2.9186215048962 5737692 CC1CN(CC(O1)C)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.048 2 4 -9.17000189519017 5737688 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NC(CC3=CC=CC=C3)C(=O)O 1 3.897 3 6 0 -22.7587047459656 5737684 CCOC(=O)/C(=C\C1=CC=C(C=C1)C)/NC(=O)C2=CC=CC=C2 1 3.477 1 3 -12.1064926002324 5737668 C1=CC=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl)O 1 4.124 0 2 8.39934288619775 5737667 COC1=C(C=C(C=C1)/C=C/C(=O)N2C3=CC=CC=C3N=C2SCC=C)OC 1 5.135 2 3 -7.59929763571969 5737662 CC1CN(CC(O1)C)C(=O)/C=C/C2=CC(=C(C=C2)OC)OC 1 2.121 1 4 -12.5877271241585 5737659 C/C(=C/CN1C(=O)C2C3CC(C2C1=O)C=C3)/Cl 1 1.295 1 2 0 -1.40856959462994 5737640 CC1=C(C(NC(=S)N1)/C=C/C2=CC=CC=C2)C(=O)OCC=C 1 3.437 2 2 -21.5512773964172 5737638 CC1CCCCN1C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.9 2 3 -5.48144170869155 5737635 C/C(=C\C1=CC=CC=C1)/C(=O)NC2CCSC2=O 1 2.233 1 2 -12.5099240319158 5737626 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)NCCC3=CC=CC=C3 1 4.28 3 4 0 -20.3220338831804 5737621 C1=CC(=CC(=C1)Cl)N2C(=O)/C(=C\N)/C(=O)NC2=O 1 0.366 3 3 0 1.61076694662431 5737575 C1=CNC(=C1)C(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl 1 4.415 1 1 5.07406572640991 5737579 CCOC(=O)C1CCCN(C1)C(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.187 1 3 -6.77196360571653 5737580 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/N(C2=S)CC(=O)OC 1 4.139 2 7 0 -12.9042797774553 5737608 CC\1=NN(C(=O)/C1=C/C2=CC3=C(C=C2)N(C(=O)N3C)C)C4=CC=C(C=C4)Br 1 3.057 4 2 -10.7989037152671 5737607 C/C(=C\C1=CC=CC=C1)/C(=O)N2C3=CC=CC=C3N=N2 1 4.003 3 1 -4.39156694545931 5737606 CC1CCCCN1C(=O)/C(=C\C2=CC=CC=C2)/C3=CC=CC=C3 1 4.485 1 1 -7.22092126988239 5737602 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NC3=CC=CC(=C3)C(=O)O 1 3.581 3 6 0 -19.1420112925032 5737556 CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC(=C(C=C2OC)Cl)OC)C 1 1.87 5 2 0 -7.94707576442451 5737527 CCOC1=C/C(=C(/N2CCCC2)\S)/C=CC1=O 1 2.319 1 2 -2.58494497568112 5737524 C1COCCN1C(=O)/C(=C\C=C/C2=CC=CC=C2)/NC(=O)C3=CC=C(C=C3)Br 1 3.104 2 3 -13.5668413077308 5737518 CC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4OC)C)O 1 4.49 1 4 1.70698105068704 5737516 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2C3=CC=CC=C3N=C2SCC=C 1 5.118 2 4 -6.75730877458468 5737491 CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4 1 4.208 3 4 0 3.14785159344635 5737486 CCOC(=O)C1CCCN(C1)C2=NC(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/S2 1 3.382 3 3 -13.172744758021 5737480 CC1CCCCN1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Br)O 1 4.741 1 3 3.15083916001187 5737463 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 2.26 3 5 0 -15.2459940383239 5737438 CC1CCCN(C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)N)O 1 4.205 3 3 12.074475385487 5737412 CCOC1=C(C=CC(=C1[N+](=O)[O-])/C=C/C2=NC3=C(C=CC=C3OC(=O)C)C=C2)OC(=O)C 1 4.193 2 7 0 -3.42508980722071 5737231 C1=CC2=NC(=C(C(=O)N2C=C1)/C=C/3\C(=O)N(C(=S)S3)CC4=CC=CO4)NCCOCCO 1 1.246 4 5 0 -15.8015261039379 5737176 CC(=O)OC1=CC=CC2=C1N=C(C=C2)/C=C/C3=CC=C(C=C3)C(=O)OC 1 4.054 1 4 -3.09550820613176 5737082 CC1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.041 2 5 0 -12.1301694502585 5737078 C1=COC(=C1)C2C=C(N=C3N2NC=N3)C4=CC=C(C=C4)Br 1 2.748 4 1 -3.51678662448036 5737071 CC(CCC1=CC=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)F 1 4.449 1 1 -6.08546482112678 5737040 C1N(CCN(C1)CCCNC(=O)/C=C/C2=CC=C(C=C2)F)CCCNC(=O)/C=C/C3=CC=C(C=C3)F 1 3.462 4 2 -5.6537496864576 5737031 CC1=CC=C(O1)/C=C/C(=O)NCCCN2CCN(CC2)CCCNC(=O)/C=C/C3=CC=C(O3)C 1 2.132 4 4 0 -6.20610431797695 5737026 CC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC=CS2)[N+](=O)[O-] 1 3.416 2 3 -7.44855287561738 5737024 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NC3=CC=C(C=C3)C(=O)NCC(=O)O 1 2.244 3 6 0 -23.1319123030869 5737020 C1C(N(N=C1/C=C/C2=CC=CO2)C3=CC=CC=C3)C4=CC=CO4 1 4.323 2 2 -3.59141073326515 5737008 C1=CC(=CC=C1/C=C/C(=O)NCCCN2C=CN=C2)Br 1 2.058 3 1 -4.92389500792048 5736998 CC(C1=CC=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)Br 1 4.215 1 1 -6.66759765604214 5736986 C1C(N2C(=NC1=O)N=CN2)C3=CC=CC=C3 1 0.281 4 1 0 -2.32775498409385 5736984 CCN1C=C(C(=N1)C)/C=C/C(=O)C2=CC=C(C=C2)O 1 2.741 2 2 2.2620988504631 5736983 CC1=CC=C(C=C1)/C=C/C(=O)NC(C)C2=CC=CC=C2 1 3.953 1 1 -7.03293660152752 5736977 CC1=CC(N2C(=N1)N=C(N2)N3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5 1 2.178 5 2 0 -7.36993944571768 5736973 COC(=O)C1=CC=CC=C1C2=CC=C(O2)/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5 1 5.769 2 4 -4.32321186931624 5736971 CC1=CC=C(O1)/C=C/C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])NC(=O)/C=C/C3=CC=C(O3)C 1 3.31 3 6 0 -6.42076922788852 5736969 CC1=CC=C(C=C1)/C=C/C(=O)NCCCN2CCN(CC2)CCCNC(=O)/C=C/C3=CC=C(C=C3)C 1 4.023 4 2 -6.36562671192286 5736966 C1=CN(N=C1)C(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl 1 3.724 2 1 6.79356569083011 5736964 C1=CC=C(C(=C1)C(=O)O)NC(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=C(O3)Br 1 3.058 3 7 0 -20.8099745186951 5736959 CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NCCCN2C=CN=C2 1 2.71 3 1 -2.71109980429455 5736957 C1=CN(N=C1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl 1 3.724 2 1 3.78548270147437 5736946 C1=CC(=C(C=C1/C=C/C(=O)NCCCN2C=CN=C2)Cl)Cl 1 2.638 3 1 -4.32294601301405 5736936 COC1=C(C=C(C=C1)/C=C/C(=O)NCCCNC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)OC 1 2.827 2 6 0 -11.9940259335846 5736923 C1=CSC(=C1)/C=C/C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.93 2 3 -8.04454943581946 5736918 COC1=CC=C(C=C1)/C=C/C(=O)NCCCN2C=CN=C2 1 1.293 3 2 0 -5.70220016255 5736917 COC1=CC(=C(C=C1)C2=CC=C(O2)/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-] 1 5.791 3 5 0 -8.61780599397697e-002 5736911 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=O)/C=C(\C3=CC=C(C=C3)Cl)/O 1 2.178 3 4 0 -10.8701165983874 5736881 C1=COC(=C1)C2C=C(N=C3N2NC=N3)C4=CC=C(C=C4)Cl 1 2.664 4 1 -2.06012687937892 5736873 CC(CCC1=CC=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 4.908 1 1 -4.97534315600521 5736871 CCOC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)OC)[N+](=O)[O-] 1 3.292 2 5 0 -7.28589332874717 5736862 C1=CC(=CC=C1C2=CC(N3C(=N2)N=CN3)C4=CC=C(O4)Br)F 1 2.127 4 1 -3.22587476000003 5736857 CC1=C(C=NN1C)/C=C/C(=O)C2=CC=C(C=C2)O 1 2.255 2 2 4.10301784098504 5736849 CC(CCC1=CC=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)OC 1 4.227 1 2 -7.21030805573617 5736831 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)OCC3=CC=CC=C3 1 4.711 1 3 -11.8571441512031 5736823 CC1CCCN(C1)C(=O)/C=C/C2=CC=C(C=C2)C 1 3.434 1 1 -4.93450204023394 5736817 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)/C=C/C2=CC=CS2 1 3.416 2 3 -9.89749978203935 5736803 COC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 2.944 2 5 0 -6.25717469805338 5736801 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)/C=C/C4=C(C=C(C=C4)Cl)Cl 1 4.414 4 4 0 -0.243757567119657 5736794 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)OC 1 2.52 2 6 0 -13.7375861415146 5736768 CCCCC(CC)CNC(=O)/C=C/C1=CC=C(C=C1)F 1 4.728 1 1 -7.33581650171834 5736758 C1=COC(=C1)C2C=C(N=C3N2NC=N3)C4=CC=C(C=C4)F 1 2.205 4 1 -3.17024854450049 5736724 C1N(CCN(C1)CCCNC(=O)/C=C/C2=CC=CO2)CCCNC(=O)/C=C/C3=CC=CO3 1 1.841 4 4 0 -7.03022142738499 5736722 C1=CC(=C(C(=C1)Cl)/C=C/C(=O)NCCCN2C=CN=C2)Cl 1 2.638 3 1 -6.04577862970931 5736704 COC1=C/C(=C/NN2C(=NNC2=S)COC3=CC=CC=C3)/C=C(C1=O)Br 1 2.046 4 3 0 -2.1059308759933 5736686 C1CC2CC1CC2NC(=O)/C=C/C3=CC=C(C=C3)Cl 1 3.771 1 1 -1.5164200411598 5736679 CC(CN1CCOCC1)OC(=O)/C=C/C2=CC=CC=C2.Cl Cl- 1 2.357 1 3 -5.89095413022451 5736676 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCCCC4)S(=O)(=O)NCC5CCCO5 1 3.821 4 3 0 -12.9314830787021 5736670 COC1=CC=CC=C1/C=C/C(=O)OC2=CC=CC3=C2N=CC=C3.Cl Cl- 1 3.899 1 3 -5.93806498933023 5736657 COC1=CC=C(C=C1)/C=C/C2=NC(=N/C(=C\3/C=CC=CC3=O)/N2)N 1 2.473 4 2 -3.00235308644048 5736651 CC1=CC=C(O1)/C=C(/C(=O)NCC2CCCO2)\NC(=O)C3=CC=CC=C3 1 1.894 2 4 0 -22.6403571770024 5736647 CN(C)CCCOC(=O)/C=C/C1=CC=CC=C1OC.Cl Cl- 1 2.337 1 3 -2.42853386875685 5736634 CN(C)CCCOC(=O)/C=C/C1=CC=C(C=C1)OC.Cl Cl- 1 2.337 1 3 -2.09985051206608 5736625 CC(CN1CCCCC1)OC(=O)/C=C/C2=CC=CC=C2.Cl Cl- 1 3.586 1 2 -3.49234791931243 5736624 CC1=CC=C(C=C1)C2=NN(C=C2/C=C\C(=O)C3=CC=C(C=C3)Br)CCC(=O)O 1 5.263 2 3 -8.88647951049146e-002 5736602 CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)N3CCSCC3)C 1 3 2 3 -16.0196916124493 5736562 CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)N3CCN(CC3)C)C 1 3.083 3 2 -14.9995423201978 5736540 CCN\1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N(/C1=C\C=C/3\C(=O)N(C(=S)S3)CC=C)CC 1 4.231 4 3 0 -15.7738432292876 5736528 CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)NCCC3=CNC4=CC=CC=C43)C 1 5.118 3 2 -21.1810300184056 5736523 CC1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)/C=C/C3=CC=CS3 1 4.087 1 3 -13.3553257295259 5736510 CCN(CC)CCOC(=O)/C=C/C1=CC=CC=C1OC.Cl Cl- 1 2.973 1 3 -2.76669890193499 5736499 CC(CN1CCOCC1)OC(=O)/C=C/C2=CC=CC=C2OC.Cl Cl- 1 2.34 1 4 -6.38961693034002 5736472 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=C(O3)[N+](=O)[O-])CCCO 1 2.104 3 5 0 -1.16774583509995 5736459 C1=CC=C(C=C1)N2/C(=C/3\C=CC=CC3=O)/N/C(=C/C=C4C=CC(=O)C=C4)/N2 1 3.546 3 2 0.92173903777719 5736420 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)NCCO)/NC(=O)C 1 1.412 2 6 0 -23.8742413736777 5736415 CCCC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4 1 5.354 2 4 -8.56013113211291 5736405 CC(CN1CCCCC1)OC(=O)/C=C/C2=CC=CC=C2OC.Cl Cl- 1 3.57 1 3 -3.99101071942793 5736403 COC1=CC=CC=C1/C=C/C(=O)NC2CC3CCC2C3 1 3.091 1 2 -4.08006829758152 5736398 CC(CN1CCOCC1)OC(=O)/C=C/C2=CC=C(C=C2)OC.Cl Cl- 1 2.34 1 4 -6.06093357364925 5736396 COC1=C/C(=C/NN2C(=NNC2=S)C3CCCCC3)/C=C(C1=O)Br 1 2.673 4 2 -1.07584121852462 5736368 C1CN2CCC1C(C2)OC(=O)/C=C/C3=CC=CC=C3.Cl Cl- 1 2.689 1 2 -0.881252256674945 5736340 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)/C=C\C(=O)O 1 1.071 2 6 0 -9.42706734468877 5736321 CC1=C(SC=C1)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=C(C=C3)F 1 3.171 2 2 -2.43711240099713 5736304 CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCCN3CCOCC3)C 1 2.188 3 4 0 -19.55753162955 5736302 CCOC1=C/C(=C/NN2C(=NNC2=S)COC3=CC=CC=C3)/C=CC1=O 1 1.942 4 3 0 -6.94931263899898 5736279 CN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)/C=C/C3=CC=CO3)O 1 2.441 1 4 -0.307512335865931 5736276 CN1CCCC(C1)OC(=O)/C=C/C2=CC=C(C=C2)OC.Cl Cl- 1 2.765 1 3 -1.93266741127818 5736252 CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)NCC2=CC3=C(C=C2)OCO3 1 1.682 2 4 0 -15.930321933696 5736250 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F)/C(=O)NCC4=CN=CC=C4 1 4.575 3 3 -11.2803874515164 5736241 COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)Br)O)OC 1 4.175 0 4 2.08930392481409 5736210 CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC=C(C=C2)CC(=O)OC(C)C)C 1 1.855 5 2 0 -10.2650474372336 5736205 CN(C)C1=CC=C(C=C1)/C=C(/C(=O)NCCCN2CCOCC2)\NC(=O)C3=CC=CC=C3 1 2.045 4 3 0 -24.0545883907333 5736201 C1CC2=C(C1)SC3=C2C(=O)OC(=N3)/C=C/C4=CC=CC=C4 1 4.322 1 2 -8.53733343742945 5736175 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)OC)/C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.134 4 4 0 -25.9786283905173 5735968 CSC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 5.063 1 2 -1.49098443665573 5735947 CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)/C=C/3\C(=O)N(C(=O)N3)C4=CC=CC=C4 1 3.84 2 5 0 -2.44585416623326 5735910 CC(=O)NC1=CC=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)F 1 3.027 1 2 -2.13206728948797 5735906 COC1=CC=C(C=C1)C(=O)/C=C\C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 4.423 1 3 -3.36605414803443 5735894 CCOC(=O)C(C)N1C(=O)/C(=C\C2=C(N(C(=C2)C)C3=CC=NC=C3)C)/SC1=O 1 2.704 3 4 0 -10.1505735304339 5735889 CCOC(=O)C(C)N1C(=O)/C(=C\C2=CC3=C(C=C2)N(C(=O)N3C)C)/SC1=O 1 1.962 3 5 0 -14.8123913468021 5735881 CC(=O)NC1=CC=CC(=C1)C(=O)/C=C/C2=CC=CO2 1 2.217 1 3 -3.60593325694014 5735873 CN1C2=CC=CC=C2C(C1=O)(CC(=O)/C=C\C3=CC4=C(C=C3)OCO4)O 1 2.066 1 5 -3.57928809248141 5735869 CCOC(=O)C(C)N1C(=O)/C(=C\C2=C(N(C(=C2)C)C3=CC=CC=N3)C)/SC1=O 1 3.244 3 4 0 -9.79644203212675 5735867 C1=CC=C(C=C1)/C=C/C=C\C(=O)CC2(C3=CC=CC=C3N(C2=O)CC(=O)N)O 1 1.62 2 4 0 -4.76738856885349 5735866 CC(=O)NC1=CC=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)Br 1 3.57 1 2 -2.47860536946784 5735806 CN1C2=CC=CC=C2C(C1=O)(CC(=O)/C=C/C3=CC=CO3)O 1 1.693 1 4 0 -2.67450341255558 5735797 CC(=O)NC1=CC=CC(=C1)C(=O)/C=C/C2=CC=CS2 1 2.775 1 2 -5.24402040407411 5735793 COC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O 1 4.044 1 3 0.496036434190963 5735740 CCOC1=CC=CC(=C1OC)/C=C/C2=NC3=C(C=CC=C3O)C=C2 1 4.504 1 3 2.01645836223166 5735694 C\1C(NN/C1=C\2/C=C(C=CC2=O)Cl)C3=C4C(=CC(=C3)Br)COCO4 1 2.045 2 3 -0.549001781453008 5735717 COC1=CC(=O)/C(=C\2/CC(NN2)C3=C4C(=CC(=C3)Cl)COCO4)/C=C1 1 1.28 2 4 0 -0.739692214298186 5734576 C1COCCN1C(=O)OC2=C(C=C(C=C2)F)C(=O)/C=C/C3=CC=CS3 1 3.518 1 4 -5.54799386944064 5734546 COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CO3)OC 1 5.244 0 6 -3.46798165872592 5734490 COC1=CC=CC=C1/C=C/C(=O)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CO3 1 5.261 0 5 -0.115880950018546 5734470 COC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)/C=C/C3=CC=CS3 1 4.965 1 6 0 -10.6190065536868 5734448 C1=CC=C(C(=C1)/C=C/C(=O)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CO3)F 1 5.483 0 4 0.736200353791058 5734439 COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CS2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.965 1 6 0 -8.78505172015379 5734432 CCN1/C(=C/2\C=C(C=CC2=O)Br)/NNC1=S 1 2.32 3 1 -3.14521068020541 5734427 CC1=C(C(N2C(=N1)N=CN2)C3=CC(=C(C=C3)OC)OC)C(=O)C 1 0.488 4 3 0 -17.3864118957492 5734409 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C2=NN=C(S2)N 1 1.844 4 2 0 -0.525042025890627 5734364 C1COCCN1C(=O)OC2=C(C=C(C=C2)Br)C(=O)/C=C/C3=CC=CS3 1 4.06 1 4 -4.84067990182778 5734356 COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)F)OC(=O)C3=CC=CC=C3)OC 1 5.306 0 5 -6.30286555823538 5734261 CCOC1=C(C=CC(=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)C)OCCOC4=CC=CC(=C4)OC 1 4.362 4 5 0 -19.5360093194985 5734258 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C/3\C(=O)N(C(=S)S3)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.534 4 3 0 -9.03194448385473 5734256 C/C(=C\C(=O)C1=CN=CC=C1)/NC2=CC=C(C=C2)NC(=O)C 1 1.526 3 2 0 -5.60730116054153 5734250 C/C(=C\C(=O)C1=CC=C(C=C1)Cl)/NC2=CC=C(C=C2)Br 1 4.969 1 1 2.19577579361653 5734247 C/C(=C\C(=O)C1=CC=C(C=C1)Br)/NC2=CC(=CC=C2)OC 1 4.288 1 2 0.317516288573241 5734234 CCCC1=C/C(=C\2/C(=CNN2)C3=CC4=C(C=C3)OCCCO4)/C(=O)C=C1OC 1 1.973 2 4 0 -2.77698767170497 5734232 C/C(=C\C(=O)C1=CC=CC=C1)/NC2=CC=C(C=C2)OC 1 3.54 1 2 -1.20017561910915 5734230 CC1=CC=C(C=C1)C(=O)/C=C(\C)/NCC2=CC=C(C=C2)F 1 3.977 1 1 -1.06308475508382 5734224 C/C(=C\C(=O)C1=CC=CC=C1)/NC2=CC(=C(C=C2)Cl)Br 1 4.969 1 1 0.810683216834442 5734220 C/C(=C\C(=O)C1=CC=CC=C1)/NC2=CC=C(C=C2)O 1 3.314 1 2 1.09266470117413 5734190 COC1=CC(=C(C=C1)O)C(=O)/C=C/C2=CC3=CC=CC=C3O2 1 4.038 0 4 5.67953686111894 5734189 CC1=NN2C(=N)/C(=C\C3=CC=C(C=C3)OCCOC4=CC=CC=C4OC)/C(=O)N=C2S1 1 4.03 4 4 0 -17.2565484425588 5734185 C/C(=C\C(=O)C1=CC=C(C=C1)Br)/NC2=CC=C(C=C2)OC 1 4.288 1 2 -3.91891061144247e-002 5734176 C/C(=C\C(=O)C1=CC=C(C=C1)Br)/NC2=CC=C(C=C2)Cl 1 4.969 1 1 2.19577579361653 5734170 C/C(=C\C(=O)C1=CC=C(C=C1)Br)/NC2=CC(=CC=C2)Cl 1 4.969 1 1 3.12264635973516 5734165 C/C(=C\C(=O)C1=CC=CC=C1)/NC2=C(C=CC(=C2)OC)OC 1 3.524 1 3 -3.01650356591142 5734149 C/C(=C\C(=O)C1=CC=C(C=C1)Br)/NCC2=CC=CC=C2 1 4.034 1 1 -2.22443773984329 5734131 CC\1=NOC(=O)/C1=C/C2=CC=CC=C2OCC#C 1 2.888 1 3 1.79119615615601 5734124 C1=COC(=C1)C(=O)/C=C/C2=CC=C(C=C2)N 1 2.35 1 2 2.87258526012783 5734118 COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2 1 4.001 2 2 -10.6802470862086 5734113 CC(C)CC(C(=O)OC)NC(=O)/C=C/C1=CC=CC=C1Cl 1 3.593 1 3 -12.0149179799884 5734104 CC1CN(CC(O1)C)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 2.105 1 5 -11.8211721800416 5734070 CC1=CC2=C(C=C1)NC(=O)C2(CC(=O)/C=C/C=C/C3=CC=CC=C3)O 1 3.046 1 3 -3.34301578781706 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CN(C)CCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC=C(C=C4)F 1 1.525 3 6 0 -21.820895552707 5733588 CC\1=NOC(=O)/C1=C\C2=CC=C(O2)C3=C(C=C(C=C3)Br)C(=O)O 1 3.296 1 5 6.6148480224825 5733585 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC(=C3)C(=O)O)OC 1 3.85 2 6 0 -19.8018694391869 5733574 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O)OC 1 3.85 2 6 0 -19.7216368303039 5733534 CCOC1=CC=C(C=C1)N/C(=N/C2=NC(=O)C(=C(N2)C)C)/N 1 1.952 5 2 0 -9.65893810639311 5733508 CC(C)N1C=C(C2=CC=CC=C21)/C=C/3\C(=O)NC(=O)N3 1 1.962 3 2 0 -8.60111410181526 5733483 CC\1=NN(C(=O)/C1=C\C=C/C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)O 1 3.132 2 3 -1.23949827892319 5733482 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=C(C=C3)F)C4=CC=CC=C4O 1 4.707 2 2 -1.07546431709237 5733460 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])/C(=O)NCCN(C)C 1 3.719 4 5 0 -14.6648287671581 5733433 CC1=CC(=O)N=C(N1)/N=C(\N)/NC2=CC=C(C=C2)OC 1 0.511 5 2 0 -11.378846477653 5733428 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NCCSCC2=CC=CO2 1 2.779 2 4 -8.85475554359077 5733427 COC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=O)N2)Br)OC 1 1.452 2 4 0 -9.44427100924419 5733327 CN(C)CCNC(=O)/C(=C/C1=CC=C(O1)C2=CC(=CC=C2)Cl)/NC(=O)C3=CC=CC=C3 1 4.002 3 3 -8.67150961885012 5733278 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3C(=O)O)OC 1 3.85 2 6 0 -21.2674413742807 5733178 CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)C3=CC=CC=C3C(=O)O)C4=CC=C(C=C4)Br 1 4.617 2 4 -3.54300224274752 5733133 CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC(C)C(=O)O 1 3.859 3 4 0 -10.8280008678183 5733100 CC(C)(C)NC(=O)/C(=C\C1=CN=CC=C1)/NC(=O)C2=CC=CO2 1 1.17 3 3 0 -19.9989120170488 5733091 COC1=CC=C(C=C1)/C=C(\C(=O)NCCCN2C=CN=C2)/NC(=O)C3=CC(=C(C=C3)OC)OC 1 1.749 4 5 0 -22.1098009653383 5733085 CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NC2CCS(=O)(=O)C2 1 2.413 1 3 -10.876795191505 5733077 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C(=C\C3=CN=CC=C3)/NC(=O)C4=CC=CO4 1 2.437 4 3 0 -21.453640483953 5733057 COC1=C(C=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NCCCN3C=CN=C3)OC 1 1.719 4 4 0 -22.1525449408315 5733023 COC1=CC=CC=C1/C=C/C(=O)N2CCC(C2)C3=CC=CC=C3 1 3.507 1 2 -2.0855494693563 5732985 C1=CC=C(C(=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)NCCCN3C=CN=C3)F 1 0.853 5 2 0 -18.8337582897383 5732945 CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C=C/C2=CC=CC=C2)/C(=O)NCCO 1 3.235 2 4 -14.8907727713697 5732898 COC1=CC=C(C=C1)/C=C/C(=O)N2CCC(C2)C3=CC=CC=C3 1 3.507 1 2 -1.58845311565314 5732891 C1=CC=C(C(=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)NCCCN3C=CN=C3)F 1 2.752 4 2 -17.6341730856007 5732885 CCCCOC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)OCC3=CC=CO3 1 4.614 2 7 0 -16.326768729809 5732879 COC1=C(C=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4N3)OC 1 4.148 3 3 -7.09857135713101 5732869 CCCCOC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)OCC3=CC=CO3 1 4.614 2 7 0 -16.6808156661599 5732857 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C(=C\C3=CN=CC=C3)/NC(=O)C4=CC=CS4 1 2.995 4 2 -22.4446408083324 5732852 COC1=CC=C(C=C1)C(=O)C\2=CNN/C2=C/3\C=C(C=CC3=O)Cl 1 1.316 2 3 0 -5.09905128198974 5732836 CCOC1=C/C(=C\2/NC(=C(N2)C3=C(C=CC(=C3)[N+](=O)[O-])C)C4=CC=CC=C4)/C=CC1=O 1 3.592 3 4 0 -3.66612642381011 5732831 CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C=C/C2=CC=CC=C2)/C(=O)NCCCO 1 3.298 2 4 -13.7872150935814 5732797 C1=CC(=CN=C1)/C=C(\C(=O)NCCCN2C=CN=C2)/NC(=O)C3=CC=CO3 1 4.3e-002 5 3 0 -17.2583195609169 5732752 CC(C)(C)NC(=O)/C(=C\C1=CC(=C(C=C1)OC)OC)/NC(=O)C2=CC=CS2 1 2.846 2 4 -24.3386212871908 5732751 C=CCOC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)C2=CC=CO2 1 2.654 1 4 -15.8117428130774 5732735 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2F)/C(=O)NCCCN3C=CN=C3 1 2.004 4 2 -16.0098247560635 5732413 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CC=C3Br 1 3.66 2 5 0 -18.7992616342807 5732405 COC1=C(C=C(C=C1)/C=C(\C(=O)NCCN2CCOCC2)/NC(=O)C3=CC=CC=C3)OC 1 1.788 3 5 0 -25.502623172242 5732382 CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NC3=CC=CC(=C3)C(=O)O 1 4.496 3 6 0 -16.5638771433919 5732342 C1=CC=C(C=C1)CCN2C3=CC=CC=C3C(C2=O)(CC(=O)/C=C/C=C/C4=CC=CC=C4)O 1 4.67 1 3 -1.78070374021548 5732323 COC1=CC=C(C=C1)/C=C(\C(=O)OCC=C)/NC(=O)C2=CC=CO2 1 2.637 1 5 -15.8843280299774 5732304 CCCCOC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)OCCC 1 4.721 2 6 0 -15.9226798144838 5732254 CCCCOC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)OC(C)C 1 4.575 2 6 0 -18.1886963112006 5732253 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C(=C\C3=CC=CO3)/NC(=O)C4=CC=CO4 1 2.983 3 4 0 -19.9854240497473 5732244 CC1=C(/C(=C\2/C=CC(=CC2=O)OCC3=CN(N=C3)C4=CC=CC=C4)/NN1)OC5=CC=CC=C5F 1 3.081 4 3 0 2.10811311495219 5732207 CCN1C2=CC=CC=C2C(C1=O)(CC(=O)/C=C/C=C/C3=CC=CC=C3)O 1 3.114 1 3 -1.79335603646214 5732176 CSC1=CC=C(C=C1)/C=C(\C(=O)NCCCN2C=CN=C2)/NC(=O)C3=CC=CC=C3 1 2.34 4 2 -15.4851678825367 5732140 COC1=CC=C(C=C1)C\2=C(NN/C2=C/3\C=CC(=O)C=C3O)C(F)(F)F 1 1.697 2 3 0 -1.01708547846665 5732131 CSC1=CC=C(C=C1)/C=C(\C(=O)NCCN2CCOCC2)/NC(=O)C3=CC=CC=C3 1 2.363 3 3 -18.9953976331354 5732095 C/C(=C\C(=O)C1=CC=CC=C1)/NCC2=CC=C(C=C2)F 1 3.491 1 1 -1.85873232259317 5732091 C1=COC(=C1)/C=C(\C(=O)NCCCN2C=CN=C2)/NC(=O)C3=CC=CO3 1 0.589 4 4 0 -15.9092565209333 5732085 CCCCOC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)OC)/C(=O)OCC3=CC=CO3 1 4.703 1 6 0 -14.7906137227955 5732079 CC1=C(C2=CC=CC=C2N1)/C=C/C3=NC4=CC=CC=C4C(=O)N3CCO 1 3.066 3 2 -4.81965463190296 5732077 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=C(C=C3)Br 1 3.66 2 5 0 -19.2716920283845 5732062 CCCCC(CC)CN1C(=O)/C(=C/C2=CC=NC=C2)/SC1=S 1 4.913 2 1 -8.77476965534444 5732042 CCCC1=CC=C(C=C1)OC\2=CNN/C2=C/3\C=CC(=O)C=C3O 1 1.725 2 3 0 -1.57241454099746 5732023 C1=CC=C2C(=C1)N=C(S2)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)S(=O)(=O)N)/C#N 1 4.056 3 3 -8.36939945823605 5731992 C#CCN1C2=CC=CC=C2C(C1=O)(CC(=O)/C=C/C=C/C3=CC=CC=C3)O 1 3.958 1 3 -4.94557653094771 5731976 C1=COC(=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NCCCN3C=CN=C3 1 1.147 4 3 0 -16.8084048645174 5731960 CCCC1=CC=C(C=C1)OC\2=C(NN/C2=C/3\C=CC(=O)C(=C3O)C)C 1 2.685 2 3 -3.89706271614194 5731936 CC1=CC=CC=C1C(=O)C\2=CNN/C2=C/3\C=CC=CC3=O 1 1.45 2 2 0 -8.7375783035087 5731923 CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C=C/C2=CC=CC=C2)/C(=O)NCC=C 1 4.391 2 3 -17.7610224682285 5731901 C1=CC(=CC=C1/C=C(\C(=O)NCCCC(=O)O)/NC(=O)C2=CC=C(C=C2)Br)Cl 1 3.458 2 4 -23.5537692898586 5731899 CC1=CC(=O)/C(=C/2\C(=CNN2)C(=O)C3=CC(=CC=C3)C)/C=C1 1 1.897 2 2 0 -6.06011581283555 5731886 CC(C)(C)NC(=O)/C(=C\C1=CC=CS1)/NC(=O)C2=CC(=C(C=C2)OC)OC 1 2.846 2 4 -24.7739840027414 5731884 CCCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC3CCCO3 1 4.262 1 3 -12.0728799023514 5731847 CC1=C(/C(=C\2/C=CC(=CC2=O)OCC3=CN(N=C3)C4=CC=CC=C4)/NN1)OC5=CC=C(C=C5)F 1 3.081 4 3 0 1.3107326171267 5731832 CC(C)COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)OC(C)C 1 4.438 2 6 0 -19.4400990285064 5731806 CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C=C/C2=CC=CC=C2)/C(=O)N3CCOCC3 1 3.668 2 4 -15.8479706679864 5731761 C1=CC2=C(C(=C1)O)N=C(C=C2)/C=C/C3=C(C=CC=C3Cl)F 1 5.058 1 1 3.20156018123901 5731731 COC1=C(C(=CC(=C1)/C=C/C2=NC3=C(C=CC=C3O)C=C2)Br)OC 1 4.904 1 3 5.36731392287839 5731721 COC1=C(C=C(C(=C1)/C=C/C2=NC3=C(C=CC=C3O)C=C2)Br)OC 1 4.904 1 3 1.55701746128499 5731715 COC1=C(C(=CC(=C1)Br)/C=C/C2=NC3=C(C=CC=C3O)C=C2)OC 1 4.904 1 3 7.46044458980029 5731706 COC1=C(C(=CC(=C1)/C=C/C2=NC3=C(C=CC=C3O)C=C2)Cl)OC 1 4.82 1 3 4.77467241580245 5731702 COC1=CC=CC(=C1)/C=C/C2=NC3=C(C=CC=C3O)C=C2 1 4.172 1 2 5.63233812611059 5731689 CSC1=CC=C(C=C1)/C=C/C2=NC3=C(C=CC=C3O)C=C2 1 4.73 1 1 8.20600124741772 5731684 C1=CC=C(C(=C1)/C=C/C2=NC3=C(C=CC=C3O)C=C2)Br 1 4.937 1 1 5.43345505172099 5731619 COC1=CC=CC=C1/C=C/C2=NC3=C(C=CC=C3O)C=C2 1 4.172 1 2 3.64666365576418 5731541 COC1=CC(=C(C=C1)OC)/C=C/C2=NC3=C(C=CC=C3O)C=C2 1 4.156 1 3 3.54625899870321 5731505 COC1=C(C=C(C=C1)Br)/C=C/C2=NC3=C(C=CC=C3O)C=C2 1 4.92 1 2 6.48332110632611 5731496 C1=CC=C(C(=C1)/C=C/C2=NC3=C(C=CC=C3O)C=C2)Cl 1 4.853 1 1 6.13517451187065 5731487 CCOC1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])/C=C\2/C(=O)SC(=N2)SC 1 3.402 2 6 0 -13.3801812866154 5731459 COC1=C(C=C(C=C1)/C=C/C2=NC3=C(C=CC=C3O)C=C2)Br 1 4.92 1 2 5.67701192662266 5731430 COC1=CC2=C(C=C1)C3=C(C=C(C=C3)O)OC2=O 1 2.691 0 4 -0.478294719238516 5731389 COC1=CC=C(C=C1)C2=NNC(=S)N2N=C/C=C\C3=CC=CC=C3OC 1 4.074 4 2 1.38121648073533 5731382 C1=COC(=C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.991 1 4 8.01796004193486e-002 5731334 C1=CC(=CC(=C1)F)N/C=C\C(=O)C2=CC=CS2 1 3.202 1 1 -2.59761930191555 5731322 CC1=CC=C(C=C1)C(=O)/C=C\NC2=CC=CC(=C2)C(=O)C 1 3.269 1 2 -1.98651186110576 5731319 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)N2)C)OCC3=CC=C(C=C3)C(=O)O 1 3.565 2 5 0 -11.1891462883742 5731313 CCCCN(CCCC)C(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-] 1 4.263 2 3 -7.3533558771362 5731269 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\C(=O)C3=CC=C(C=C3)C 1 3.418 4 3 0 -10.1562999343499 5731229 C1COCCN1CCCNC(=O)CCCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S 1 3.229 3 3 -18.5248922854524 5731224 CC1CN(CC(O1)C)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 2.048 2 4 -10.6366690227051 5731220 CCCC(C)NC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-] 1 3.106 2 3 -11.8755904054746 5731204 CC1=CC=C(C=C1)C(=O)/C=C\NC2=CC(=C(C=C2)OC)OC 1 3.496 1 3 -5.01248786575835 5731191 CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])/C=C/C2=CC(=C(C=C2)OC)O 1 1.1 3 6 0 -6.58474318096387 5731161 CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NCCCN3CCOCC3 1 2.73 3 3 -20.50717007145 5731157 CC1=CC=C(C=C1)C(=O)/C=C\NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC 1 3.804 4 5 0 -13.7089488259097 5731155 CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])/C=C/C2=C(C=C(C=C2)Cl)Cl 1 2.687 3 4 0 -6.64631415517274 5731153 CC1=CC(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=C(O4)[N+](=O)[O-] 1 4.644 3 4 0 -2.54967403814116 5731126 CCOC(=O)C1CCCN(C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 2.417 2 5 0 -10.9235621983812 5731123 CCN1C(=NC2=CC=CC=C2C1=O)/C=C/C3=CC=C(O3)[N+](=O)[O-] 1 2.93 3 4 0 -0.928897997153298 5731122 CC1=CC=C(C=C1)C(=O)/C=C\NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)C 1 3.756 2 4 -3.66315302467409 5731106 CC1CN(CC(O1)C)C(=O)/C=C/C2=CC=CC=C2Cl 1 2.818 1 2 -6.5602078303557 5731104 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=C(O3)[N+](=O)[O-])C4=CC=C(C=C4)O 1 3.915 3 5 0 -2.45616848506962 5731099 CC1CN(CC(O1)C)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 1.922 1 4 0 -9.97384274254001 5731091 CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=C(O4)[N+](=O)[O-] 1 4.644 3 4 0 -4.33604259620877 5731089 CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O 1 4.391 3 5 0 -12.1076588357119 5731085 CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\C(=O)C3=CC=C(C=C3)F 1 3.476 2 4 -2.95127599920884 5731073 CN1C(=NC2=CC=CC=C2C1=O)/C=C/C3=CC=C(O3)[N+](=O)[O-] 1 2.581 3 4 0 -2.94551450994528 5731042 CC1=CC(N2C(=N1)N=C(N2)NC(=O)CCC(=O)O)C3=CC=C(C=C3)Cl 1 1.199 5 3 0 -9.77328529940633 5730862 CC1=NC2=CC=CC=C2C(=O)N1N/C=C/3\C=CC(=O)C=C3O 1 0.466 3 3 0 -5.73372056582762 5730860 C1CN(CCN1CCC(=O)NC2=CC=CC=C2Cl)C/C=C/C3=CC=CC=C3.Cl Cl- 1 3.877 3 1 2.06424141904029 5730856 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\C(=O)C3=CC4=C(C=C3)OCO4 1 2.646 3 6 0 -8.40456180649037 5730829 CCOC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 5.552 0 2 4.11260361394264 5730819 CC1=CC(=CC=C1)NC(=O)CCN2CCN(CC2)C/C=C/C3=CC=CC=C3.Cl Cl- 1 3.699 3 1 4.0222414714309 5730810 COC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C/C=C/C3=CC=CC=C3 1 3.196 3 2 1.81902393548241 5730806 C1=CC(=CC=C1N/C=C\C(=O)C2=CC=NC=C2)S(=O)(=O)N 1 0.597 3 3 0 -5.78482467808634 5730786 CC1=C(C=CC(=C1)NC(=O)CCN2CCN(CC2)C/C=C/C3=CC=CC=C3)Br.Cl Cl- 1 4.447 3 1 2.38010808927128 5730784 COC1=CC(=C(C=C1)OC)NC(=O)CCN2CCN(CC2)C/C=C/C3=CC=CC=C3.Cl Cl- 1 3.18 3 3 -0.429320280887572 5730777 COC1=C(C=C(C=C1)N/C=C\C(=O)C2=CC=C(C=C2)Br)OC 1 3.758 1 3 -4.64714892027297 5730769 CC1=CC=CC=C1OCCNC(=O)/C=C/C2=CC=CC=C2 1 3.624 1 2 -6.07416823992407 5730767 CC1=C(C=C(C=C1)N2C(=O)/C(=C\C=C\C3=CC=CO3)/C(=O)N2)C 1 3.087 2 3 1.71741767671127 5730712 COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC)OC 1 5.508 0 6 -2.97808037295168 5730684 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CC(=N2)/C=C/C3=CC=C(S3)Br 1 3.249 4 2 -3.28550805360225 5730682 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=N2)/C=C/C3=CC=CC=C3F 1 2.8 4 3 0 -10.4676944513711 5730675 CC1=CC2=C(C=C1)OC=C(C2=O)/C=C/C(=O)C3=CC=C(C=C3)Cl 1 4.37 0 3 5.25969471736546 5730637 CC(CC1=CC=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 4.452 1 1 -3.65570098797599 5730631 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=N2)/C=C/C3=CC=C(C=C3)Cl 1 3.259 4 3 0 -7.48687403246559 5730630 CC1=CC2=C(C=C1)OC=C(C2=O)/C=C/C(=O)C3=CC=C(C=C3)OC 1 3.69 0 4 3.0247298176345 5730624 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\C(=O)C3=CC=C(C=C3)Br 1 3.626 3 4 0 -4.96855355960365 5730621 COC1=CC(=CC(=C1)NC(=O)CCN2CCN(CC2)C/C=C/C3=CC=CC=C3)OC 1 3.18 3 3 -1.05452926096151 5730620 CC(CCC1=CC=CC=C1)NC(=O)/C=C/C2=CC=CC=C2 1 4.244 1 1 -7.26231712572463 5730619 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\C(=O)C3=CC=NC=C3 1 1.727 4 4 0 -6.14861034173874 5730616 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\C(=O)C3=CC=CC=C3 1 2.878 3 4 0 -6.12954007259838 5730614 COC1=CC=C(C=C1)C\2=NN(C(=O)/C2=C/NCCN3CCNCC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 1.633 6 4 0 -13.5224920901578 5730603 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\C(=O)C3=CC=C(C=C3)F 1 3.083 3 4 0 -4.62201547962378 5730602 C1=CC(=CC=C1N/C=C\C(=O)C2=CC=NC=C2)S(=O)(=O)N=C(N)N 1 -0.214 5 3 0 -5.47297337628537 5730601 COC1=C(C=C(C=C1)N/C=C\C(=O)C2=CC3=C(C=C2)OCO3)OC 1 2.778 1 5 -8.22299507138133 5730589 CC1=CC2=C(C=C1)OC=C(C2=O)/C=C/C(=O)C3=CC=CC=C3O 1 3.464 0 4 4.9640687073322 5730585 CC1=CC(=NO1)N/C=C\C(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.038 2 2 -6.11333841378177 5730576 CC(C)(C)C(=O)NC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CO2 1 3.763 1 3 -8.05714066080996 5730575 C1CC(OC1)CNC(=O)/C(=C\C2=CC(=CS2)Br)/C#N 1 2.405 2 2 -14.398746563828 5730539 CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C\3/C=CC=N3 1 1.271 3 1 0 -4.38081931303745 5730529 CCOC(=O)C1=C(N/C(=C/C2=CC=C(O2)CNC(=O)C(=O)NC3=CC(=C(C=C3)C)C)/C1=O)C 1 2.279 3 6 0 -21.9800312739682 5730513 CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)NC2=O 1 0.849 3 7 0 -7.70999942784603 5730504 C1=CC=C(C(=C1)CSCCNC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])Cl 1 4.262 2 3 -11.1651086194559 5730502 C1=CC(=CC(=C1)Cl)CSCCNC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 4.262 2 3 -9.17631123252723 5730500 CCOC(=O)/C=C/C(=O)NC1=CC=CC=C1C2=CC=CC=C2NC(=O)/C=C/C(=O)OCC 1 3.225 2 6 0 -4.44684047040984 5730489 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)N/C=C/5\C=NC6=CC=CC=C65 1 0.888 3 2 0 -4.55138128583491 5730485 C/C=C/C1=CC(=C(C=C1)OCCCCOC2=CC=C(C=C2)OC)OC 1 5.009 0 4 -2.2390860988668 5730472 C/C=C/C1=CC(=C(C=C1)OCCCCOC2=CC=CC=C2F)OC 1 5.231 0 3 -2.04950777826265 5730461 CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2=CC=C(O2)/C=C/3\C(=O)C(=C(N3)C)C(=O)OC)C 1 1.93 3 6 0 -21.1897749754734 5730450 CC1=C(C(=O)/C(=C\C2=CC=C(O2)CNS(=O)(=O)C3=CC=C(C=C3)Cl)/N1)C(=O)OC 1 2.059 2 6 0 -13.6798923524553 5730441 COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NCC2CCCO2)OC 1 1.164 1 7 0 -11.4308960542364 5730440 C1CS(=O)(=O)CC1NC(=O)/C=C/C2=CC=CC=C2 1 1.013 1 3 0 -13.6268731577007 5730413 C1CC(OC1)CN2C(=O)/C(=C\C3=CNC4=CC=CC=C43)/C(=O)NC2=O 1 1.722 3 4 0 -6.63735088145389 5730407 CC(=O)N/C(=C\C1=CC=C(C=C1)F)/C(=O)OC 1 1.183 1 3 0 -7.47866209125872 5730387 CCOC(=O)C1=C(N/C(=C/C2=CC=C(O2)CNS(=O)(=O)C3=CC=C(C=C3)Br)/C1=O)C 1 2.492 2 6 0 -15.9268083960516 5730377 C1=CC=C(C=C1)COC(=O)CCCNC(=O)/C(=C\C2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 4.06 2 4 -27.7770976809475 5730359 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CC=C3 1 2.911 2 5 0 -20.7257100034275 5730357 C1COCCN1C(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC=CC=C3Cl 1 1.948 2 4 0 -18.3535243356236 5730347 CCC(=O)C1=CC=C(O1)/C=C/C2=NC3=CC=CC=C3N2C 1 4.037 2 2 4.09670519611826 5730343 C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)/C=C/C3=CC=C(C=C3)Cl 1 4.564 3 3 -0.758748875238742 5730308 CN1C2=CC=CC=C2N=C1COC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)C(=O)N(C)C 1 4.502 5 2 0 -3.26473835361871 5730299 C1=CC=C(C=C1)COC(=O)CNC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=C(C=C3)Br 1 4.033 2 4 -20.4216087416625 5730279 COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)OC)OC 1 3.524 0 5 -6.08269633810997 5730277 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C\C2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 3.721 2 4 -20.6870620263498 5730275 C1=CC=C(C=C1)COC(=O)CNC(=O)/C(=C\C2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 3.491 2 4 -20.6987744121076 5730266 COC1=CC=CC=C1/C=C(\C(=O)O)/NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.729 1 4 -7.38899433140346 5730254 CC1=CC=C(O1)/C=C/C2=NC3=CC=CC=C3N2 1 3.279 2 1 5.1622511001923 5730252 CCC(C)C(C(=O)O)NC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)C2=CC=C(C=C2)OC 1 3.243 2 5 0 -26.2596662428828 5730249 C1CC2CC1CC2NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 3.001 2 3 -5.43281651910385 5730238 COC1=CC(=CC(=C1OC)OC)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2Cl 1 3.031 1 6 0 -14.904204033513 5730217 COC1=C(C=C(C=C1)Cl)/C=C/C2=NC3=C(C=CC=C3O)C=C2 1 4.836 1 2 6.8058740273743 5730206 CC1=C(SC=C1)/C=C/C2=NC3=C(C=CC=C3O)C=C2 1 4.628 1 1 4.19737060885758 5730194 CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC=CC=N4 1 3.944 5 2 0 -11.4273911691581 5730138 COC1=CC=CC(=C1OC)/C=C/C2=NC3=C(C=CC=C3O)C=C2 1 4.156 1 3 3.20276571054154 5730137 CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CC=N4 1 3.327 5 2 0 -6.58271773121817 5730126 C1=CC2=C(C(=C1)O)N=C(C=C2)/C=C/C3=CC=C(C=C3)C(=O)O 1 3.818 1 3 2.44013973962885 5730116 COC1=C(C(=CC(=C1)Cl)/C=C/C2=NC3=C(C=CC=C3O)C=C2)OC 1 4.82 1 3 5.00866354884389 5730111 CC1=CC=C(C=C1)C2=NC(=O)/C(=C/C3=CC(=C(C(=C3)Br)O)O)/S2 1 4.621 1 3 6.72973811860266 5730070 C1CC(OC1)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 2.406 1 5 -10.2884091019065 5730061 C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=CC=N3)/C#N 1 3.423 3 0 -5.47912636429132 5730039 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)O)/NC(=O)C3=CC=CC=C3 1 4.037 1 6 0 -21.1966394001959 5730031 CC[N+]1=C(SC2=CC=CC=C21)/C=C(\C)/NC3=CC=CC=C3.[I-] I- 1 4.947 2 0 9.67709881983142 5730028 CC1=C2C(=C3C(CC(CC3=N1)(C)C)O)C4=CC=CC=C4N2 1 3.331 2 1 -1.67027835802628 5729999 CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC=CC(=C2)NC(=O)C)C 1 0.359 6 1 0 -6.57640805941662 5729990 CC[N+]1=C(SC2=C1C=C(C=C2)OC)/C=C/3\CC(CC(=C3)C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] Cc1ccc(cc1)S(=O)(=O)O 1 5.946 1 1 10.3325078721055 5729982 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC(=CC=C3)Br)CCCO 1 3.438 2 2 0.530078443338169 5729968 C1CN(CC1C2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3 1 3.524 1 1 -1.64046218564159 5729957 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O)OC 1 2.951 2 7 0 -15.8917870625587 5729954 C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCCO 1 2.69 2 2 -2.18662444576347 5729925 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=C(C=C3)Br)CCCO 1 3.438 2 2 -1.48092868618133 5729923 CC(C)(C)N(C)CCOC(=O)/C=C/C1=CC=CC=C1.Cl Cl- 1 3.223 1 2 -2.45838787679958 5729916 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCOCC4)S(=O)(=O)NC 1 2.233 4 3 0 -11.0767315836232 5729911 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])CCCO 1 2.584 3 4 0 -3.94066541902394 5729894 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])CCCO 1 2.584 3 4 0 -4.2732617602693 5729892 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)NCC(=O)O)/NC(=O)C3=CC=CC=C3 1 3.097 2 7 0 -29.0333088575259 5729887 C1CC(CN(C1)C(=O)/C=C/C2=CC=CO2)C3=CC=CC=C3 1 3.375 1 2 -0.907086025994111 5729858 CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NCCCN3CCOCC3 1 2.897 3 4 0 -22.1571626495518 5729851 C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=C(C=C3)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])/C#N 1 5.974 4 3 0 3.14158844734267 5729835 C1CS(=O)(=O)CC1N2C(=O)/C(=C\C3=CN=CC=C3)/SC2=S 1 1.404 2 3 0 -15.6516908478849 5729690 CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1)O 1 3.622 0 3 2.63043429264766 5729526 CCCOC1=CC=CC=C1N/C(=N\C(=O)NC2=CC=C(C=C2)Cl)/NC3=NC(=CC(=N3)C)C 1 4.968 6 2 0 -5.48084330946154 5729506 C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3NC2=O 1 2.965 2 1 -5.57572451969406 5729462 C/C(=C/C(=O)C)/N1C(C2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC=C(C=C4)F 1 4.101 2 2 -2.33699465062285 5729425 CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=N/C2=NC3=CC=CC=C3O2)/N 1 3.916 4 2 1.1584649259618 5729422 C1=CC(=CC=C1/C=C/C2=NC(=NC=C2)NS(=O)(=O)C3=CC=C(C=C3)N)[N+](=O)[O-] 1 2.622 5 4 0 -5.96728560909144 5729368 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=C(C=C3)Br)CCO 1 3.376 2 2 -2.00671542688024 5729353 C1=CC=C(C=C1)/C=C/C2=NC(=NO2)C3=CC=CC=C3 1 3.612 2 1 5.27346894469468 5729352 CCN(CC)C(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=C(C=C3)Br 1 3.414 2 4 -16.223584702658 5729339 C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C(=O)N=C(S3)N)S(=O)(=O)N 1 1.907 3 4 0 -3.84629771415375 5729338 C=CCNC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=C(C=C3)Br 1 3.128 2 4 -22.3767964076545 5729327 CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)O 1 3.946 0 2 4.00877068393626 5729280 C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(C=C2)F)/NC(=O)C3=CC=CO3 1 3.172 2 3 -13.6600619004584 5729277 C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NC3=CC=CC(=C3)C(=O)O)/NC(=O)C4=CC=CO4 1 2.364 2 7 0 -17.9490693301917 5729239 COC1=CC=CC=C1C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NC(CCSC)C(=O)O 1 2.271 2 5 0 -28.7642118381821 5729222 C1=CC=C(C=C1)/C=C/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/NC(=O)C3=CC=CC=C3Cl 1 4.333 2 4 -11.4256196186106 5729203 COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)O)COC3=CC=C(C=C3)F 1 5.216 0 4 1.72342244032489 5729202 CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NCCCN3CCOCC3 1 3.19 3 3 -15.4329083143865 5729182 CCN(CC)C(=O)/C(=C\C1=CC=C(C=C1)Br)/NC(=O)C2=CC=CC=C2OC 1 3.63 2 3 -15.9686962257759 5729167 COC1=C(C=C(C=C1)/C=C/C(=O)C23CC4CC(C2)CC(C4)C3)CN5CCOCC5 1 4.328 1 3 -3.28095053135283 5729148 CCOC(=O)C1=CC(=CC=C1)NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3Cl 1 4.44 2 4 -20.1767875591848 5729099 C1COCCN1CCCNC(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=S 1 2.244 3 3 -20.6791138885343 5729089 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC=CO3 1 2.865 0 4 0.507803765863836 5729084 C1=COC(=C1)CNC(=O)/C(=C\C2=CC=C(C=C2)F)/NC(=O)C3=CC=CO3 1 2.36 2 4 -18.2417795361848 5729082 COC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)F 1 5.441 0 4 -0.616964550883565 5729077 C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NC3=CC=CC(=C3)C(=O)O)/NC(=O)C4=CC=C(C=C4)Br 1 3.717 2 6 0 -17.6900789326733 5729024 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C\C2=CC=C(C=C2)F)/NC(=O)C3=CC=CO3 1 3.117 2 5 0 -19.2252132700845 5729018 COC1=C/C(=C\2/C(=C(NC3=C2C(=O)NC(=S)N3)N)C#N)/C=CC1=O 1 0.138 5 3 0 -7.84081750303128 5728991 C1CN(CCN1CCN2C(=O)C3C4CC(C3C2=O)C=C4)S(=O)(=O)/C=C/C5=CC=CC=C5 1 0.775 3 4 0 -6.60762837124075 5728986 CC\1=NN(C(=O)/C1=C/NCCN2CCN(CC2)C(=S)NCC=C)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.002 7 3 0 -22.5427498507197 5728915 CCC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NCCCN3CCOCC3 1 3.186 3 3 -20.7466082072291 5728920 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CC(=N2)/C=C/C3=C(C=C(C=C3)Cl)Cl 1 4.056 4 2 -1.4136937508107 5728923 C1COCCN1CCCNC(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3F)/SC2=S 1 2.449 3 3 -18.8232698879365 5728926 C1=CSC(=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O 1 3.858 3 5 0 -13.6396939661841 5728957 C1=CC(=CC(=C1)Br)/C=C/C2=NC(=NC=C2)NS(=O)(=O)C3=CC=C(C=C3)N 1 3.476 4 2 -1.39914752020454 5728943 CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NCCCN3CCOCC3 1 2.328 3 4 0 -16.8955573718903 5728937 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N/C(=N/C3=NC(=CC(=N3)C)C)/N 1 1.397 8 2 0 -11.9818578573396 5728881 COC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NCCCN3CCOCC3 1 2.099 3 5 0 -23.592346836822 5728867 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CO3 1 2.306 2 6 0 -19.4222735142183 5728844 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)OCC4=NC5=CC=CC=C5N4C 1 5.574 4 1 3.07163694801686 5728842 CCN(CC)C(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=CO2 1 2.188 3 5 0 -16.8785802016007 5728817 CC(=O)NC1=C(N=C(NC1=O)SC/C=C/CSC2=NC(=C(C(=O)N2)NC(=O)C)O)O 1 -0.277 6 6 0 -12.4259202735233 5728815 C/C(=C\C(=O)C1=CC=C(C=C1)OC)/NC2=CC=C(C=C2)NC(=O)C 1 2.66 2 3 -3.22451650569496 5728809 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CO3 1 2.911 2 5 0 -20.4020655746823 5728807 C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NC3=CC=CC=C3)/NC(=O)C4=CC=CO4 1 2.734 2 5 0 -16.060163142942 5728804 C=CCNC(=O)/C(=C\C1=CC=CO1)/NC(=O)C2=CC=CO2 1 1.402 2 4 0 -20.0685304015576 5728794 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C\C2=CC=C(C=C2)Cl)/NC(=O)C3=CC=CO3 1 3.576 2 5 0 -18.1150916049629 5728787 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC5=CC=CC=C5O4 1 6.278 3 1 0.556124354472235 5728785 CN1C2=CC=CC=C2N=C1COC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)Cl 1 5.752 4 1 4.89363563860368 5728775 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3 1 2.806 3 7 0 -22.031488082907 5728773 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C\C2=CC=C(C=C2)Cl)/NC(=O)C3=CC=CC=C3 1 4.18 2 4 -19.5769403612282 5728760 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3 1 2.806 3 7 0 -22.3855350192579 5728759 COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC5=CC=CC=C5O4 1 5.775 3 2 0.143158145328094 5728741 CC(C)CC(C(=O)O)NC(=O)/C(=C\C1=CC=CO1)/NC(=O)C2=CC=CO2 1 1.982 2 6 0 -23.0416989908574 5728725 CC(C(=O)O)NC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=CO2 1 1.25 3 7 0 -22.2655391224874 5728712 CC(=C1C=CC(=O)C=C1)NN2CCN(CC2)C3=CC=CC=C3 1 2.03 3 1 1.42090614586953 5728640 COC1=C/C(=C/NN2CCN(CC2)CC3=CC=C(C=C3)Cl)/C=C(C1=O)Br 1 2.233 3 2 8.07589639532096 5728633 C1C(N=C2C=C(NN2C1C(F)(F)F)C(=O)O)C3=CC=CO3 1 0.86 3 3 0 -5.24884693785126 5728626 COC1=CC=C(C=C1)NC2=N/C(=C/3\C=CC=CC3=O)/NC4=CC=CC=C42 1 3.556 3 2 -4.07306471597391 5728549 CC1=CC(=NC(=N1)/N=C(\N)/NC2=C(C=C(C=C2)OC)OC)C 1 1.205 5 2 0 -6.44561949554936 5728425 C1=CC=C2C(=C1)/C(=C/3\C(=O)N(C(=S)S3)NC(=O)C4=CC(=CC=C4)O)/C(=O)N2 1 2.553 3 4 0 -12.599324346123 5728401 C1=CC=C(C=C1)/C(=C\2/C=C(C=CC2=O)O)/NNC3=CC=CC=C3 1 2.983 2 2 -0.221801509325405 5728400 C1=CC=C(C=C1)C\2=NN=C/C2=C\NNC(=O)CNC(=O)C3=CC=CC=C3 1 0.938 5 2 0 -11.7925865769944 5728381 CCOC(=O)C1=CC2=C(C3=CC=CC=C3N2)[N+](=C1C)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-] Cl- 1 5.04 3 4 0 -9.30999572287228 5728359 C1=CC=C2C(=C1)C3=C(N2)C=C(C(=[N+]3C4=CC=C(C=C4)[N+](=O)[O-])N)C#N.[Cl-] Cl- 1 3.947 5 2 0 -6.43540884269941 5728356 CCOC(=O)C1=CC2=C(C3=CC=CC=C3N2)[N+](=C1N)C4=CC=C(C=C4)[N+](=O)[O-].C(=O)(C(F)(F)F)[O-] OC(=O)C(F)(F)F 1 4.272 4 4 0 -8.66824771161484 5728350 COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC5=C(C=C4)OCO5 1 4.495 2 4 -7.09430422383242 5728334 C1=CC=C(C=C1)C2=N/C(=C\3/C=C(C=CC3=O)Cl)/C=C(N2)C(C(F)F)(F)F 1 3.216 2 1 -3.78370510408695 5728322 CCOC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)OC 1 4.001 0 4 -3.25990784295124 5728270 COC1=CC=CC(=C1)/C=C/C(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.579 1 4 -2.58318333153293 5728178 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\C(=O)C3=CC=C(C=C3)F)OC 1 3.524 4 5 0 -12.9970718004445 5728161 COC1=CC=C(C=C1)N/C=C\C(=O)C2=CC3=CC=CC=C3C=C2 1 3.935 1 2 2.21693006849453 5728143 C1=CC=C(C=C1)C(=O)CN/C=C\C(=O)C2=CC=C(C=C2)F 1 2.65 1 2 -1.20281612097879 5728121 CC(C)CN1C2=CC=CC=C2N=C1/C=C/C3=CC=CC=C3 1 5.136 2 0 2.42046555537587 5728118 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\C(=O)C3=CC=C(C=C3)F 1 3.138 4 3 0 -9.44442290888464 5728090 CC1=NNC(=S)N(C1=O)N/C=C/2\C=C(C(=O)C(=C2)OC)[N+](=O)[O-] 1 -0.288 5 5 0 -5.58075080633545 5728065 C1OC2=C(O1)C=C(C=C2)N/C=C\C(=O)C3=CC=C(S3)Cl 1 3.223 1 3 -1.46834948987037 5727972 C1=CC(=CC=C1C(=O)/C=C\NC2=NC=C(C=C2)Cl)Br 1 3.372 2 1 3.93494455701112 5727950 CC(C)C1=CC(=NNC(=O)N)C=C(C1=O)C(C)C 1 2.216 3 2 -5.15841854412178 5727876 CCNC(=O)C(=O)NN/C=C/1\C=C(C=CC1=O)[N+](=O)[O-] 1 -1.213 4 5 0 -9.67346777631581 5727907 C/C(=C\C1=[N+](C(=CS1)C2=CC=CC=C2)C3=CC=CC=C3)/NC4=CC=C(C=C4)OC.[Br-] Br- 1 6.477 2 1 -3.0772146026333 5727858 C1=CC=C(C(=C1)NC(=O)C(=O)NN/C=C/2\C=C(C=CC2=O)Br)OC(C(F)F)(F)F 1 2.206 3 4 0 -9.79813366073612 5727814 CC1=C(C2=CC=CC=C2N1)/C=C(\C#N)/C(=O)NCC3CCCO3 1 2.142 3 2 -17.5477457070924 5727805 C1CC(OC1)CNC(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/C#N 1 2.22 2 4 -18.9008739783821 5727770 C1CCC(CC1)(/C=C\2/C(C3=C(O2)C=CC(=C3)[N+](=O)[O-])N4CCOCC4)O 1 2.591 2 5 0 -4.15212798332358 5727768 CCOC(=O)N1CCN(CC1)C(=O)/C(=C\C2=CC=C(C=C2)SC)/NC(=O)C3=CC=CC=C3 1 2.951 3 4 0 -16.4178135166603 5727765 CCOC(=O)N1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)Cl)/NC(=O)C3=CC=CC=C3 1 3.074 3 4 0 -16.8009317665433 5727763 COC1=CC(=CNNC2=NC=C(C=C2)[N+](=O)[O-])C=C(C1=O)OC 1 -0.207 4 5 0 -0.902324811316479 5727752 C1COCCN1C2=CC=C(O2)/C=C(/C#N)\C(=O)NC3=CC=CC=C3 1 2.291 3 3 -12.8136257404621 5727746 CCOC(=O)N1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 2.615 3 4 0 -17.9110534316649 5727739 COC1=CC=C(C=C1)/C=C(\C(=O)N2CCCC2)/NC(=O)C3=CC=CC=C3 1 2.645 2 3 -18.4004987234576 5727713 CN1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/NC(=O)C3=CC=CC=C3 1 2.32 4 2 -18.2462510322255 5727710 CCOC(=O)N1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/NC(=O)C3=CC=CC=C3 1 2.571 4 4 0 -21.2842168357428 5727455 CCCC\1=NN(C(=O)/C1=C/NCC2CCCO2)C3=NC4=CC=CC=C4S3 1 2.628 4 2 -10.6108861047697 5727452 CC(C)(C)C(=O)N/C(=N/C1=NC2=CC=CC=C2O1)/N 1 2.398 4 2 -5.68231525026001 5727434 CC1=CC=C(C=C1)/C=C/C(=O)NCCCN2C=CN=C2 1 1.796 3 1 0 -5.28923395340586 5727431 CC1=NNC(=NC1=O)NN/C=C\2/C=CC(=O)C(=C2)[N+](=O)[O-] 1 -0.943 6 4 0 -7.2320520174711 5727429 CC(C)(C)NC(=O)/C(=C\C1=CC=CO1)/NC(=O)C2=CC=CS2 1 2.274 2 3 -19.3632836401664 5727422 C1COCCN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=CS4 1 1.61 2 5 0 -21.3233104989131 5727407 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=CS3 1 4.926 1 2 -4.17860817914291 5727397 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)N3CCCCCC3 1 4.013 2 2 -17.8332907967002 5727370 C1=CC=C(C=C1)CC(C(=O)N/C(=N/C2=NC3=CC=CC=C3O2)/N)N4C(=O)C5=CC=CC=C5C4=O 1 3.44 5 4 0 -6.57115037570129 5727347 COC1=CC=C(C=C1)/C=C/2\C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl 1 6.366 3 2 -1.11945321151831 5727343 C1=CC=C2C(=C1)N=C(O2)/N=C(\N)/NC(=O)C3=CC(=CC=C3)Br 1 2.618 4 2 -1.07519313515152 5727324 C1=COC(=C1)CNC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CS3 1 2.108 2 4 -19.2714278376419 5727181 C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)S(=O)(=O)N)/SC2=S 1 2.465 2 6 0 -16.4219869242023 5727172 CC1CCN(CC1)C(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CC=C3 1 3.323 2 2 -21.4154421946387 5727130 CCOC(=O)/C(=C/C1=C/C(=C/N(C)C)/C(=O)O1)/C(=O)C 1 0.417 1 5 0 -2.80572975903301 5727092 CNC(=O)/C(=C\C=C\C1=CC=CC=C1)/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.357 3 4 0 -12.9966105371637 5727075 C1CC(OC1)CNC(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CC=C3 1 2.307 2 3 -23.7776187900493 5727029 C1=CC2=C(C=C1[N+](=O)[O-])/C(=C\3/C(=O)NC(=O)S3)/C(=O)N2 1 0.751 3 5 0 -4.45403087408211 5727024 CC(C)C1=CC=C(C=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-] 1 2.141 3 4 0 -9.37990846956671 5727003 CS/C(=N/N/C=C/1\C(=O)C=CC2=CC=CC=C21)/N 1 1.649 3 1 0 1.20913825679917 5727001 CC1=C(C=CC(=C1)[N+](=O)[O-])N/C=C/C(=O)C2=CC(=C(C=C2)OC)OC 1 3.39 2 5 0 -7.70909488626694 5726945 CC(=O)C1=CC=C(O1)/C=C/C2=NC3=CC=CC=C3N2C 1 3.37 2 2 6.40906254595491 5726879 CCN(CC)C1=CC(=O)/C(=C/NN2CCN(CC2)CC3=CC=CC4=CC=CC=C43)/C=C1 1 2.805 4 1 1.53980804158809 5726822 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC=C3C(=O)N(C(=O)N(C3=O)C)C 1 0.13 6 5 0 -17.4082610932789 5726820 COCCCN/C=C/1\C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4 1 2.752 4 2 -8.44073482275592 5726799 C1=CC=C(C=C1)OC2=CC=CC=C2NC=C3C(=O)NC(=O)NC3=O 1 1.765 3 4 0 -7.52928058606427 5726775 C1CN(CCN1)CCN/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 1.649 6 3 0 -13.5840422973289 5726723 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=C(C=C3)O)NC=C4C=CC(=O)C=C4 1 2.381 3 3 -1.69649381737389 5726710 CC(C(=O)NNC1=C2C=C(C=CC2=NC1=O)[N+](=O)[O-])OC3=CC=CC=C3 1 1.177 4 5 0 -8.82271324062464 5726651 C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 4.325 2 2 1.85915413356016 5726633 CCN1C(=NC2=CC=CC=C2C1=O)/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 3.41 3 3 -4.15394242411942 5726632 CCN1C(=NC2=CC=CC=C2C1=O)/C=C/C3=CC=CC=C3F 1 3.721 2 1 -2.93465451905117 5726630 CCN1C(=NC2=CC=CC=C2C1=O)/C=C/C3=CC=CC=C3 1 3.516 2 1 -1.94777660781682 5726616 CCCN1C2=CC=CC=C2/C(=C\C3=NC(=O)C4=CC=CC=C4N3)/C1=O 1 2.954 3 2 -6.47373666350661 5726614 CC1=C(C2=CC=CC=C2N1)/C=C/C3=NC(=O)C4=CC=CC=C4N3 1 3.4 3 1 -5.31918400583394 5726596 CC1=CC(=CC(=C1)N/C(=N/C2=NC(=CC(=N2)C)C)/N)C 1 2.857 5 0 -3.33831954518075 5726593 CCCCC1=CC=C(C=C1)N/C(=N/C2=NC(=CC(=N2)C)C)/N 1 3.739 5 0 -3.36912769748171 5726591 CCOC1=CC=C(C=C1)N/C(=N/C2=NC(=CC(=N2)C)C)/N 1 2.217 5 1 -3.72517649162932 5726568 CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC=C(C=C2)C(C)C)C 1 2.432 5 0 -2.26252743412552 5726562 CC1=CC(=NC(=N1)/N=C(\N)/NC2=C(C=CC(=C2)OC)OC)C 1 1.205 5 2 0 -4.53825161688243 5726481 COC1=CC(=CC(=C1O)OC)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-] 1 0.672 3 7 0 -10.0192493150291 5726457 C1COCCN1C2=C(C=C(C=C2)/C=C(/C#N)\C(=O)N)[N+](=O)[O-] 1 0.883 4 4 0 -10.113881432745 5726434 CN1C(/C(=C(/C2=CC=C(C=C2)Br)\O)/C(=O)C1=O)C3=CC=CC=C3F 1 3.33 1 3 -5.11239057952589 5726406 COC1=CC=CC=C1/C=C/C=NN2CCN(CC2)CC3=CC=CC=C3Cl.Cl Cl- 1 4.112 3 1 6.78720575522612 5726371 CCCC\1=NN(C(=O)/C1=C/NCCN2CCNCC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.099 6 3 0 -15.775165974596 5726370 COC1=C(C=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)Cl)/O)/C(=O)C(=O)N2)OC 1 2.801 1 5 -7.74908994382808 5726360 CC1=CC(=C(C(=O)N1)C(=O)/C(=C/C2=CC=C(C=C2)F)/C)C 1 3.11 1 2 -13.4391787616739 5726342 CN1C(/C(=C(/C2=CC=C(C=C2)Br)\O)/C(=O)C1=O)C3=CC=C(C=C3)F 1 3.33 1 3 -2.14617623515722 5726289 CCN(CC)CCCN/C=C/1\C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4 1 3.719 5 1 -6.50502929031993 5726284 COC1=CC(=C/C(=C\2/C(=C(NN2)N)C#N)/C#N)C=C(C1=O)OC 1 -1.098 5 3 0 -1.36052237800401 5726276 CCC1=CC=C(C=C1)/C=C(\C)/C(=O)C2=C(C=C(NC2=O)C)C 1 3.847 1 2 -14.3904939229182 5726238 CCOC1=CC=C(C=C1)/C=C(\C)/C(=O)C2=C(C=C(NC2=O)C)C 1 3.237 1 3 -15.3302451479913 5726235 CCOC1=C/C(=C/NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)/C=CC1=O 1 3.176 3 3 -6.45036477622758 5726229 CCCC\1=NN(C(=O)/C1=C/NCCCN2C=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.343 6 3 0 -9.60550758860331 5726227 CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C)C3=CC=C(C=C3)[N+](=O)[O-])/O 1 2.756 2 5 0 -5.31778999346509 5726185 CCOC1=C/C(=C/NNC(=O)CN2C3=CC=CC=C3N=N2)/C=CC1=O 1 0.706 5 3 0 -12.9737674238724 5726173 CC1=CC(=C(C(=O)N1)C(=O)/C(=C/C2=C(C(=CC=C2)Cl)Cl)/C)C 1 4.234 1 2 -11.2152972051695 5726168 CC1=CC(=C(C(=O)N1)C(=O)/C(=C/C2=CC(=CC=C2)Cl)/C)C 1 3.569 1 2 -11.175712012324 5726165 CCC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(NC2=O)C)C 1 3.401 1 2 -11.9092036068405 5726135 C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)NN/C=C/4\C=NC5=CC=CC=C54 1 3.274 5 1 4.79867448362557 5726115 C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)NNC=C5C=CC(=O)C=C5 1 2.58 4 2 1.04695604832967 5726086 CCN(CC)C1=CC(=O)/C(=C/NN2CCN(CC2)CC3=CC=CC=C3Cl)/C=C1 1 2.561 4 1 -0.767418775730763 5726049 C1C(OC2=CC3=CC=CC=C3C=C2O1)C(=O)NN=C4C(=O)NC(=O)NC4=O 1 0.569 4 6 0 -10.1908515900527 5726044 CC1=C2C3=CC(=C(C=C3/C(=C/4\C=CC=CC4=O)/N=C2N(N1)C5=CC=CC=C5)OC)OC 1 3.098 3 3 -7.68226290182203 5726038 CC1=NC2=CC=CC=C2N=C1NN/C(=C/3\C=CC=CC3=O)/C 1 1.934 4 1 0 -2.72267121153488 5725998 CC1=NC2=CC=CC=C2N=C1NNC=C3C=CC(=O)C=C3 1 1.421 4 1 0 1.63894232124471 5725993 CC1=NC2=CC=CC=C2N=C1NN/C=C/3\C=CC(=O)C=C3O 1 0.883 4 2 0 0.789438701978777 5725981 CCC1=CC2=C(C=C1)NC3=C2N=NC(=N3)NN/C=C/4\C=CC(=O)C=C4O 1 1.935 6 2 0 -3.36583139921311 5725884 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)C2=CC=CS2 1 3.549 1 3 -4.90695918010127 5725836 C1=CC(=C(C=C1Cl)Cl)CN2C=CC(=N2)C(=O)NN/C=C/3\C=NC4=C3C=C(C=C4)Br 1 4.423 5 1 -3.72914025842779 5725835 COC1=CC=C/C(=C\NNC(=O)C2C(CNC2=O)C3=CC=CC=C3)/C1=O 1 -0.179 3 4 0 -8.93300014300145 5725816 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC(=C(C=C3)OC)OC)C(=O)/C=C/C(=O)O 1 2.723 2 8 0 -9.06899520698917 5725808 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=C(C=C3)OC)C(=O)/C=C/C(=O)O 1 2.739 2 7 0 -5.28719999845474 5725793 C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C4=CC=CC=C4C(=O)O 1 5.634 1 4 -3.93528919125563 5725757 C1OC2=C(O1)C=C(C=C2)C(=O)NN/C=C/3\C=NC4=C3C=C(C=C4)Br 1 2.2 3 3 -3.18593183878705 5725732 COC1=CC(=CNNC(=O)C2C(CNC2=O)C3=CC=CC=C3)C=C(C1=O)OC 1 -0.491 3 5 0 -5.60237720632143 5725687 C1=CC(=CC=C1CN2C=CC(=N2)C(=O)NN/C=C/3\C=NC4=C3C=C(C=C4)Br)Cl 1 3.758 5 1 -4.08102872232094 5725668 C1=CC2=C(C(=O)N=C2C=C1)NNC3=NC=C(C=C3)C(F)(F)F 1 1.574 4 1 0 -1.61571704283091 5725620 C1C2C=CC1C3C2C(=O)N(C3=O)N/C=C/4\C=C(C=C(C4=O)[N+](=O)[O-])Br 1 0.274 3 5 0 -1.00462551673177 5725609 C1COCCN1C\2C3=C(C=CC(=C3)[N+](=O)[O-])O/C2=C\COC4=CC=C(C=C4)[N+](=O)[O-] 1 2.943 3 7 0 -7.02327201585378 5725597 C1COCCN1C\2C3=C(C=CC(=C3)[N+](=O)[O-])O/C2=C\COC4=C(C5=CC=CC=C5C=C4)Br 1 4.705 2 5 0 -1.84208856280191 5725578 CC1=CC=C(C=C1)/C(=C\2/C(=NN(C2=O)C3=CC=CC=C3)C)/C=C/C4=CC=CC=C4OC 1 5.451 2 2 -2.90367140103269 5725566 C1COCCN1C\2C3=C(C=CC(=C3)[N+](=O)[O-])O/C2=C\COC4=CC=C(C=C4)F 1 3.254 2 5 0 -5.24630800726815 5725516 C1=CC=C2C(=C1)C=NN=C2NNC3=C4C=CC=CC4=NC3=O 1 1.073 5 1 0 -1.85152989434577 5725510 C1=CC=C2C(=C1)N/C(=C(\C#N)/C(=O)C3=CC(=CC=C3)F)/S2 1 4.057 2 1 -3.07110751638026 5725491 CC1=CC(=CC=C1)N/C(=N/C2=NC(=CC(=N2)C)C)/N 1 2.371 5 0 -0.986476076003465 5725473 CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC=CC=C2OC)C 1 1.222 5 1 0 -5.26881803470195 5725468 CC1=CC=C(C=C1)N/C(=N/C2=NC(=CC(=N2)C)C)/N 1 2.371 5 0 -2.73428372511096 5725455 CC\1=NN(C(=O)/C1=C\NCCN2CCN(CC2)C(=O)C(C)C)C3=CC=C(C=C3)[N+](=O)[O-] 1 0.9 6 4 0 -15.6059184591206 5725449 CC\1=NN(C(=O)/C1=C/NCCN2CCN(CC2)C(=O)C3=CC=CC=C3F)C4=CC=C(C=C4)[N+](=O)[O-] 1 1.641 6 4 0 -13.1858727189083 5725431 C1=C(OC(=C1)C2=C(C=C(C=C2Br)[N+](=O)[O-])Br)/C=C/3\C(=O)NC(=S)N3 1 4.426 3 4 0 -5.24828996234881 5725402 C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)/C(=N/NC4=CC=C(C=C4)S(=O)(=O)N)/C(=N3)C5=CC=CC=C5 1 4.147 6 3 0 -12.6466076604318 5725397 CN1C(=O)C(=CNCCN2CCN(CC2)C(=O)NC3=CC=CC=C3)C(=O)N(C1=O)C 1 -0.309 6 4 0 -15.0958798109381 5725391 CN1/C(=C\C2=CC(=C(C(=C2)OC)OC)OC)/C(=O)N=C1N 1 0.948 3 4 0 -5.93418754464678 5725390 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)NN=C3C(=O)NC(=O)NC3=O 1 2.057 4 4 0 -13.2696302122307 5725382 C/C(=C\1/C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)/NCC4=CC=C(C=C4)OC 1 4.316 4 2 -3.90155396394967 5725368 CC\1=NN(C(=O)/C1=C(/C=C/C2=C(C(=CC=C2)OC)OC)\C3=CC=CC=C3)C4=CC=CC=C4 1 4.948 2 3 -3.85056010333686 5725360 C1COCCN1C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 1.782 3 5 0 -22.0046952656144 5725290 CCN1C2=CC=CC=C2/C(=C\C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C)/C1=O 1 4.699 3 2 -7.81115387585689 5725289 CCN1C2=CC=CC=C2/C(=C\C3=NC(=O)C4=CC=CC=C4N3)/C1=O 1 2.431 3 2 -6.05143493569444 5725227 C1=CC(=CC=C1/C=C/C(=O)NCCCN2C=CN=C2)F 1 1.515 3 1 0 -4.57735692794061 5725106 CCOC(=O)/C(=C\C1=CC=C(C=C1)[N+](=O)[O-])/C(=O)C2=CC(=C(S2)NC3=CC=CC=C3)C(=O)C 1 5.128 2 6 0 -4.79775057290527 5725076 CNC1=C(C=CC(=C1)[N+](=O)[O-])N/C=C/C(=O)C2=CC=CS2 1 2.699 3 3 -8.56392867850545 5724949 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/C2=CC=C(C=C2)Br)/NC(=O)C3=CC=C(O3)Br 1 4.228 2 5 0 -21.3643958370313 5724916 CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C=C3)OC)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])/C#N 1 6.444 4 4 0 0.955701862330354 5724859 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)/C=C/C5=CC=CC=C5 1 3.258 3 3 -5.22963402049398 5724853 CN1C(=O)C(=CNC2=CC=CC=C2C3=CC=CC=C3)C(=O)N(C1=O)C 1 2.135 3 3 -4.95234008199977 5724809 COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO 1 1.401 5 4 0 -12.7114264800952 5724716 CCCCOC1=CC=C(C=C1)/C(=N/O)/N 1 2.211 2 2 1.38409290451439 5724654 CC1=CC=C(C=C1)/C=C(/C2=NC(=S)NN2)\NC(=O)C3=CC=C(C=C3)C 1 3.825 4 1 -6.59141581886525 5724621 C1CC2C=CC1C3C2C(=O)N(C3=O)N/C=C/4\C=NC5=CC=CC=C54 1 1.212 3 2 0 2.27273636805732e-002 5724466 CC(=O)/C=C/1\N(C(=O)C(S1)CC(=O)O)C2=CC=CC=C2 1 1.661 1 4 0 -7.69659206134848 5724415 C1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=C(C=C3)[N+](=O)[O-])NN=C4C=CC(=O)C=C4 1 2.049 5 4 0 -3.6381494584284 5724363 C1COCCN1C(=O)/C(=C/C2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 2.093 2 3 -19.1984204527919 5724361 CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.366 4 3 0 -10.5573812096466 5724334 C1=CC=C(C=C1)CS(=O)(=O)NNC2=C3C=C(C=CC3=NC2=O)Br 1 1.278 3 3 0 -8.84320270948734 5724294 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\3/C(=NN(C3=O)C4=CC(=C(C=C4)C)C)C 1 3.237 6 3 0 -15.8602411530055 5724291 C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O 1 2.437 3 6 0 -5.72315033544879 5724284 CCO/C(=C(\C#N)/C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])/O 1 2.947 3 6 0 -16.2724262997264 5724229 C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=N/NC(=O)C4=CC=NC=C4)/C2=O 1 1.456 5 3 0 -9.07239146339587 5724217 C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)/C(=N/NC(=O)N)/C2=O 1 2.428 4 2 -2.16086736167499 5724211 C1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=N/NC(=O)C4=CC=NC=C4)/C2=O 1 2.403 4 2 -3.70562334172639 5724207 CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3/C(=N/NC(=O)C4=CC=NC=C4)/C2=O 1 1.942 5 3 0 -6.95707300120576 5724084 COC1=CC(=CNNC2=CC=CC=N2)C=C(C1=O)OC 1 0.536 3 3 0 3.25931236405556 5723983 COC1=C/C(=C/NN2C(=NNC2=S)C3=CC=CC=C3)/C=CC1=O 1 1.758 4 2 0 -2.9491560840173 5723956 COC1=CC(=CNN2C(=NNC2=S)C3=CC=CC=C3)C=C(C1=O)OC 1 1.446 4 3 0 -1.55324842342271 5723948 CC1=CC(=O)N=C(N1)NNC=C2C=C(C(=O)C(=C2)OC)OC 1 -0.893 4 4 0 -5.36183190090553 5723940 COC1=CC(=CNNC2=CC=CC3=C2N=CC=C3)C=C(C1=O)OC 1 1.334 3 3 0 1.55222286459313 5723866 C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC(=CC=C3)OCC(=O)O)/C#N 1 3.042 3 3 -6.36840422966986 5723855 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)Br)/C3=NC(=S)NN3 1 3.601 4 1 -4.20584896425773 5723854 C1=CC=C(C(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC(=O)O 1 3.042 3 3 -7.10830973897167 5723827 C1CC12C3C=CC2C4C3C(=O)N(C4=O)N/C=C/5\C=C(C(=O)C=C5O)[N+](=O)[O-] 1 -0.63 3 6 0 -4.23662467856157 5723788 COC1=C/C(=C/NNC(=O)CCN2C3=CC=CC=C3C4=CC=CC=C42)/C=CC1=O 1 2.493 3 3 -2.9920353843332 5723719 COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2C(F)(F)F 1 4.627 0 2 3.12076851831916 5723716 COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)O)OC(=O)C3=CC=CO3 1 3.339 1 7 0 -16.3291249069599 5723534 CC1=CC(=C(C(=O)N1)C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C)C 1 2.673 1 4 -15.8392800041575 5723494 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=CC=C3)C(=O)/C=C/C(=O)O 1 2.407 2 6 0 -4.77754897118262 5723391 CC1=C(C(NC(=S)N1)/C=C/C2=CC=CC=C2)C(=O)OC 1 2.82 2 2 -16.929283808901 5723273 C\1=C(C=C(C(=O)/C1=C/NN2C(=NN=N2)N)Cl)Cl 1 -0.359 6 1 0 -4.69496906224734 5723267 C1=CC=C(C=C1)COC(=O)CCCNC(=O)/C(=C\C2=CC=CC=C2F)/NC(=O)C3=CC=CC=C3 1 4.06 2 4 -26.8085146394697 5723128 CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O 1 5.147 3 3 -8.06157377104803e-002 5722977 COC1=CC=C(C=C1)/C=C\C(=O)CC(C2=CC=CC=C2)(C(F)(F)F)O 1 4.063 0 3 -1.32840522688173 5722965 CCOC1=C/C(=C/NNC(=O)C2=C(N=C3N2C=CC=C3)C)/C=CC1=O 1 0.495 4 3 0 -5.36574565387167 5722934 CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)N(C)C)CC3=CC=CC=C3 1 3.203 3 1 -6.17781412611792 5722931 C1CS(=O)(=O)CC1NS(=O)(=O)/C=C/C2=CC=CC=C2 1 0.19 1 4 0 -5.21288781251309 5722732 C1=CC(=O)C=CC1=NNC2=NNC(=N2)C3=CC=C(C=C3)Cl 1 2.78 5 1 4.83842096119103 5722712 C1=CC=C2C(=C1)/C(=C/NNC3=NC4=CC=CC=C4N3)/C=N2 1 1.869 5 0 0 4.36054130575356 5722655 CCCOC1=C(C=CC(=C1)N(CC)CC)/C=C(/C#N)\C2=NC3=C(N2)C=C(C=C3)C 1 5.779 4 1 -2.11191920933727 5722634 C/C(=C(\C(=O)NC1=CC=CC=C1)/N=O)/NNC(=O)C2=C(C=CC(=C2)Br)O 1 2.302 4 4 0 -0.628652323571765 5722600 C1=CC(=O)/C(=C/NNC(=O)CN2C(=NN=N2)N)/C=C1[N+](=O)[O-] 1 -2.294 8 4 0 -15.267275561415 5722358 C1=CC=NC(=C1)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 0.903 4 3 0 -0.427291863131815 5722346 C1=C/C(=C\NN2C(=NN=N2)N)/C(=O)C=C1 1 -1.096 6 1 0 -7.71152378962282 5722344 COC1=CC=C(C=C1)C(=O)NN/C=C/2\C=NN=C2C3=C(C=C(C=C3)OC)OC 1 1.829 4 4 0 -5.10535246557359 5722335 C1=CC(=O)/C(=C/NN2C(=NN=N2)N)/C=C1Br 1 -0.644 6 1 0 -7.03943863060467 5722313 C1=CC(=O)/C(=C/NNC2=NNN=N2)/C=C1[N+](=O)[O-] 1 -0.753 7 3 0 -3.29356507934234 5722276 COC(=O)CCC/C=C/1\C(C(CS1)NC(=O)C2=CC=CC=C2)O 1 1.956 1 4 0 -13.533189766292 5722249 COC(=O)CCC/C=C/1\C(=O)C(CS1)NC(=O)C2=CC=CC=C2 1 2.236 1 4 -14.7794803862026 5722242 COC1=C/C(=C/NNC2=NC3=C(C4=CC=CC=C4N3)N=N2)/C=CC1=O 1 1.218 6 2 0 -6.94101608104663 5722160 CC\1=NN(C(=O)/C1=N/NC2=CC(=CC=C2)Cl)C3=CC=CC=C3 1 3.488 4 1 -1.70447914982488 5722076 C[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)[N+](=O)[O-].[I-] I- 1 3.606 2 2 8.71200337084564e-002 5721950 CC1=CC(=CC=C1)N/N=C/2\C(=NN(C2=O)C3=CC=CC=C3)C 1 3.31 4 1 -2.753999447535 5721949 CC\1=NN(C(=O)/C1=N/NC2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4 1 3.732 4 1 -2.45342346903755 5721842 COC1=C/C(=C/NNC(=O)CNC(=O)C2=CC=CS2)/C=CC1=O 1 -0.293 3 4 0 -10.9350309286699 5721803 CC\1=NN(C(=O)/C1=N/NC2=CC=CC=C2C(=O)N3CCOCC3)C4=CC=CC=C4 1 1.925 5 3 0 -11.2247430631049 5721756 CCN(CC)C(=O)C1CCCN(C1)C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.984 3 3 -1.6993510845872 5721738 CCOC(=O)N1CCN(CC1)C/C(=C/C2=CC=CC=C2)/Cl 1 2.949 2 2 3.7313100312909 5721735 CCOC(=O)C1CCCN(C1)C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 3.077 2 4 0.113118176321246 5721733 C1CC(CN(C1)C/C=C/C2=CC=CC=C2[N+](=O)[O-])CO 1 2.282 2 3 6.55612827096756 5721730 CC(CN(C/C=C(\C)/CCC=C(C)C)CC(C)O)O 1 3.288 1 2 -2.28964180454049 5721718 CC1CC(CN(C1)C/C=C/C2=CC=CC=C2[N+](=O)[O-])C 1 3.821 2 2 -0.816186330279956 5721715 CC1CCCN(C1)C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 3.502 2 2 2.89550405330123 5721711 CCCCN(C/C=C/C1=CC=CC=C1OC)CC2=CC=CC=C2 1 5.267 1 1 4.12727290932223 5721692 C1CN(CCN1C/C=C/C2=CC=CC=C2[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4 1 3.574 3 4 0 4.94715052100385 5721691 CCOC(=O)C1CCCN(C1)C/C=C/C2=CC=CC=C2 1 3.182 1 2 2.18229898215175 5721689 CC1CN(CC(O1)C)C/C=C/C2=CC=CC=C2OC 1 2.797 1 2 -0.971640771244411 5721688 CCC1CCCCN1C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 4.084 2 2 -3.82732487813101 5721686 C/C(=C\C1=CC=CC=C1)/CN(C)CCN(C)C 1 2.956 2 0 1.52568459542647 5721604 CCOC(=O)/C(=C\1/C2=CC=CC=C2CC(N1)(C)C)/N=O 1 2.345 2 3 -5.52773011550987 5721594 CC1=C2CCCCC2=C(C(=O)N1)C(=O)/C=C/C3=CC=CC=C3F 1 3.651 1 2 -9.09765142980042 5721593 CC1=C2CCCCC2=C(C(=O)N1)C(=O)/C=C/C3=CC=CC=C3 1 3.446 1 2 -9.62595037739011 5721587 CC1=CC(=C(C(=O)N1)C(=O)/C(=C/C2=CC=CS2)/C)C 1 2.858 1 2 -16.2189048953229 5721574 CC1=CC=C(C=C1)N2C(=O)/C(=C\NC3=CC=C(C=C3)OC)/C(=O)NC2=O 1 2.458 3 4 0 -4.71777146220707 5721510 CCC1=NN=C(N1N)NN/C=C/2\C=C(C(=CC2=O)O)Br 1 -0.609 6 2 0 -5.54521243953451 5721553 C1=CC(=C(C=C1Cl)Cl)/C=C/C2=NC(=O)NC(=C2)C(F)(F)F 1 4.404 2 1 -0.585695749710878 5721474 COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)OC 1 3.54 0 4 -0.751261554811253 5721447 C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)/C#N 1 4.412 3 3 1.44805432914083 5721432 CC1=CC(=C(C(=O)N1)C(=O)/C(=C/C2=CC(=CC=C2)Br)/C)C 1 3.653 1 2 -11.6987660807151 5721431 CC1=CC(=C(C(=O)N1)C(=O)/C(=C/C2=CC=C(C=C2)OC)/C)C 1 2.888 1 3 -14.5640219962833 5721425 C1=CC(=O)/C(=C/NNC(=O)C2=CC=NC=C2)/C=C1Br 1 0.309 3 2 0 -5.43370823595066 5721357 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C3CCS(=O)(=O)C3 1 3.041 1 3 -14.600936958324 5721337 CCOC(=O)C1=C(/C(=N/NC2=CC=CC=C2)/N=C1C)C 1 2.212 3 2 -6.54258803866388 5721280 C1C2CC3CC1CC(C2)(C3)C(=O)NNC4=C5C=C(C=CC5=NC4=O)[N+](=O)[O-] 1 1.749 4 4 0 -5.74497398964057 5721301 C1CS(=O)(=O)CC1N2C(=O)/C(=C\C3=CC=CS3)/SC2=S 1 2.508 1 3 -16.1329720887962 5721263 C1=CC=C(C(=C1)/C=C/C(=O)C2=CN=CC=C2)Cl 1 3.215 1 1 0.982612772553194 5721056 COC1=CC=C/C(=C\NNC2=NC=CN=C2Cl)/C1=O 1 -6.6e-002 4 2 0 -0.365949674560473 5721041 C1=C/C(=C\NNC2=NC=CN=C2Cl)/C(=CC1=O)O 1 -0.292 4 2 0 0.827600437979688 5721034 C1=CC(=O)C=CC1=CNNC2=NC=CN=C2Cl 1 0.246 4 1 0 1.67710405724562 5720916 CC1=NC(=CC(=N1)Cl)NN/C=C/2\C=CC=C(C2=O)OC 1 1.049 4 2 0 -3.22515069442019 5720897 CC1=NC(=CC(=N1)Cl)NNC=C2C=CC(=O)C=C2 1 1.362 4 1 0 -1.18209696261409 5720741 CC(C1=CC=CC=C1)NC=C2C(=O)NC(=O)NC2=O 1 0.312 3 3 0 -8.35735629000234 5720713 C1=CC(=O)/C(=C/NN2C(=NN=N2)N)/C=C1[N+](=O)[O-] 1 -1.354 7 3 0 -7.43596437706594 5720710 CCN(CC)C1=CC(=O)/C(=C/NN2C(=NN=N2)N)/C=C1 1 -0.628 7 1 0 -8.15555433810885 5720701 CCOC1=CC=C(C=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-] 1 1.279 3 5 0 -10.8425575270705 5720699 C1CC1C2=CSC(=N2)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C#N 1 3.452 3 2 -14.6825170561911 5720694 COC1=CC=CC=C1NNC2=C3C=C(C=CC3=NC2=O)Br 1 2.317 3 2 -3.69533626037181 5720679 C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC(=O)NN/C=C\3/C=CC(=O)C(=C3)O 1 0.169 5 4 0 -13.4957423657485 5720659 CC1=CC(=CC=C1)NC(=S)NN/C=C/2\C=NC3=CC=CC=C32 1 3.572 4 0 -0.517555949133726 5720651 C1=C/C(=C\NNC2=NNN=N2)/C(=O)C=C1 1 -0.495 6 1 0 -3.56912449189921 5720645 C1CC1C2=CSC(=N2)/C(=C/C3=CC=CC=C3[N+](=O)[O-])/C#N 1 3.452 3 2 -14.8538353885091 5720640 COC1=CC(=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)OC)OC 1 3.636 0 5 0.267671367765167 5720628 COC1=CC(=C(C=C1)C(=O)/C=C/C2=CN=CC=C2)OC 1 2.518 1 3 -0.808521450677824 5720571 CCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(OC(=CC2=O)C)O 1 2.91 0 5 -3.38702188218695 5720556 C1CC2=C3C=C(C=CC3=NC2=C(C1)NNC(=O)C4=CC=NC=C4)Cl 1 1.516 4 1 0 -6.44936914899194 5720547 CN1C2=CC=CC=C2/C(=N/NC(=O)C3=CC=CO3)/C1=O 1 1.365 3 3 0 -3.98532534949614 5720514 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC3=CC=CC4=C3N=CC=C4 1 3.009 3 1 0.82195321353931 5720510 CCC(C)N/C=C\1/C(=O)NC(=O)N(C1=O)C2=CC=CC=C2 1 1.383 3 3 0 -7.66213214740525 5720499 CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=CC=CC=C2Br 1 3.326 0 4 -1.16269069121288 5720357 C1=CC(=O)C=CC1=NNC2=NNC(=N2)C3=CC=C(C=C3)Br 1 2.864 5 1 3.38176121608959 5720334 C1=CC=C2C(=C1)C=C/C(=C\NNC3=CC=CC4=C3N=CC=C4)/C2=O 1 3.018 3 1 0.493896636367389 5720312 CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=CC=C(C=C2)SC 1 3.119 0 4 -2.71558086497314e-003 5720301 COC1=CC=C(C=C1)C2=NC(=NN2)NN=C3C=CC(=O)C=C3 1 2.099 5 2 0 2.60345606146007 5720252 CC1=CC(=C(C(=O)N1)C(=O)/C=C/C2=CC=CO2)C 1 1.854 1 3 0 -12.3343601865235 5720198 COC1=CC=C(C=C1)CN2CCC(=CC2)/C=C/C3=CC=C(C=C3)OC.Cl Cl- 1 4.424 1 2 1.32088606392259 5720196 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)CC3=CC=CC=C3 1 3.287 2 1 -1.82364321083274 5720182 CC(C1=CC=CC=C1)NC(=O)/C=C/C2=CC=CC=C2 1 3.466 1 1 -7.49791188066012 5720147 CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(C(=N3)C)N/N=C/4\C=CC=CC4=O 1 2.715 5 2 0 0.766613677471783 5720124 CC1=CC(=C(C=C1)N/C=C/2\C=CC=C(C2=O)O)C 1 2.534 1 2 -4.05777231063614 5720119 CC1=CC(=C(C(=O)N1)C(=O)/C=C/C2=CC=CS2)C 1 2.412 1 2 -13.9724473336575 5720115 CC1=C(CCN(C1)C)/C=C/C2=CC=CC=C2.Cl Cl- 1 3.32 1 0 3.86726550849637 5720078 CC1=NC2=C(CCCC2)C=C1C(=O)/C=C/C3=CC=CC=C3 1 4.354 1 1 -4.09330181546723 5720071 CC1=NC2=C(CCCC2)C=C1C(=O)/C=C/C3=CC=CC=C3Cl 1 5.018 1 1 -2.17449670811131 5720044 CC1=CC(=C(C(=O)N1)C(=O)/C=C/C2=CC=C(C3=CC=CC=C23)OC)C 1 3.35 1 3 -8.55773013303336 5719967 CN(C1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)N/C=C/4\C=CC(=O)C=C4O 1 3.439 4 2 3.38610384066594 5719932 CC1=CC(=C(C(=O)N1)C(=O)/C=C/C2=CC=CC3=CC=CC=C32)C 1 3.367 1 2 -8.59006420566424 5719921 CC1=C(C2=CC=CC=C2N1)C(=O)/C=C/C3=CC=CC=C3 1 4.14 1 1 1.89350717558578 5719919 C1CN(CC=C1/C=C/C2=CC=C(C=C2)Br)CC(C3=CC=CC=C3)O.Cl Cl- 1 4.695 1 1 -0.36613336473702 5719819 C1C(OC2=CC=CC=C2O1)C(=O)NN=C3C(=O)NC(=O)NC3=O 1 -0.339 4 6 0 -11.4239503927827 5719806 CC\1=NN(C(=O)/C1=C/NNC(=O)C2COC3=CC=CC=C3O2)C4=CC=CC=C4 1 1.056 4 4 0 -4.11811090854945 5719594 COC(=O)/C(=C\C=C\C1=CC=CC=C1)/NC(=O)C2=CC=CC=C2 1 3.109 1 3 -7.51102940700481 5719587 CCOC1=CC=CC=C1/C=C(\C(=O)NC(C)C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 4.288 2 3 -19.1870835289226 5719582 C1=CC(=NC2=C3C(=C(C=C2)[N+](=O)[O-])NON3)C(=O)C=C1 1 2.161 4 4 0 -1.78004500589428 5719581 C1=CC(=NC2=CC(=C3C(=C2[N+](=O)[O-])NON3)Cl)C(=O)C=C1 1 2.826 4 4 0 0.996344018148497 5719580 C1=CC(=O)C=CC1=NC2=C3C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NON3 1 2.056 5 6 0 -2.33247057622365 5719579 C1=CC(=NC2=C3C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NON3)C(=O)C=C1 1 2.056 5 6 0 -3.30163702059312 5719535 CN1CCC(=CC1)/C=C/C2=CC=C(C=C2)OC.Cl Cl- 1 2.857 1 1 3.69971736003067 5719485 C1CCN(CC1)C(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 2.95 5 1 -17.9715824738302 5719375 CC[N+]1=C(N(C2=C1C=C(C=C2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)/C=C/N(C)C6=CC=CC=C6.[I-] I- 1 8.01 4 0 20.9078441192636 5719373 CCN1C2=C(C=CC(=C2)C(=O)OCC)[N+](=C1/C=C/N(C)C3=CC=CC=C3)CC.[I-] I- 1 4.977 3 2 8.27159173697408 5719372 CCN1C2=CC(=C(C=C2[N+](=C1/C=C/NC3=CC=CC=C3)CC)Cl)Cl.[I-] I- 1 5.748 3 0 10.4665112774618 5719371 CCN1C2=C(C=CC(=C2)Cl)[N+](=C1/C=C/N(C)C3=CC=CC=C3)CC.[I-] I- 1 5.437 3 0 16.4104053883639 5719370 CCN1C2=C(C=CC(=C2)Cl)[N+](=C1/C=C/NC3=CC=CC=C3)CC.[I-] I- 1 5.084 3 0 12.8174975292079 5719283 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC(=O)C3=CC(=CN=C3)Br 1 1.655 3 2 0 -1.63179298229758 5719243 C1=CC=C(C=C1)P(=O)(CC(=O)NN/C=C/2\C=C(C=C(C2=O)Br)Br)C3=CC=CC=C3 1 3.334 2 3 -5.77108981531359 5719239 COC1=C/C(=C/C2=C(NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4)/C=CC1=O 1 1.405 4 6 0 -3.57365505401965 5719237 CN(C)C1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4 1 2.462 5 4 0 -10.6291355966488 5719134 CC1=CC=C(C=C1)NC(=S)NN/C=C/2\C(=NC3=CC=CC=C32)C 1 3.651 4 0 -4.68809404259598 5719122 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NN/C=C\2/C=CC=N2 1 0.271 4 3 0 -7.7432285840272 5719079 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NC3=CC=C(C=C3)C(=O)N 1 2.152 2 2 -5.99809768017623 5719015 COC1=CC=CC=C1C(=O)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-] 1 0.841 4 5 0 -8.63579734214654 5718914 CC1=CC(=C(C=C1)NC(=O)/C=C/C(=O)O)[N+](=O)[O-] 1 1.574 2 5 0 -5.66288674431505 5718917 C1CN2C3=CC=CC=C3NC2=C(C1=O)C(=O)NC4=CC=CC=C4[N+](=O)[O-] 1 2.532 4 4 0 -12.0104116634491 5718958 CC1=C(C2=CC=CC=C2N1)/C=C/C(=O)C3=CC=NC=C3 1 2.99 2 1 8.03887780538354e-002 5718935 CC1(CC(=O)C(C(=O)C1C(=O)OC)C(=O)/C=C/C2=CC=CC=C2)C 1 2.441 0 5 -3.68900268045666 5718848 COC1=C/C(=C/NNC(=O)C2=CC=NC=C2)/C=CC1=O.O H2O 1 -0.456 3 3 0 -3.53953741581915 5718846 C1=CC(=CC=C1NC(=O)/C=C\C(=O)O)OC2=CC=C(C=C2)Br 1 3.502 1 4 -1.69833382360639 5718838 C1CCN(C1)C2=N/C(=C/3\C=CC=CC3=O)/NC4=CC=CC=C42 1 2.662 3 1 -6.02991645147005 5718821 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)N3CCOCC3 1 0.549 3 2 0 -10.275331598998 5718810 CC\1=NN(C(=O)/C1=C/C=C/C=C/N(C)C)C2=CC=CC=C2 1 1.992 3 1 0 2.16483854720562 5718801 CC(=O)/C(=C(\C=C\C=C\N(C)C)/N(C)C)/C(=O)OC 1 0.572 2 3 0 -1.66570115605584 5718793 CC1=C(C2=C(C(=O)N=C2C=C1)NNC(=O)C3CC3C4=CC=CC=C4)Br 1 2.392 3 2 -5.06919042280861 5718774 C1=C/C(=C/NNC2=CC=C(C=C2)[N+](=O)[O-])/N=C1 1 1.037 4 2 0 -0.958067839335542 5718770 CC1=CC=CC(=C1)C(=O)NN/C=C\2/C=CC=N2 1 0.863 3 1 0 -4.13511253333458 5718763 CC(=O)N/C(=C\C1=CC(=C(C=C1)OC(=O)C)OC)/C(=O)N2CCCCC2 1 1.204 2 5 0 -18.3417320218183 5718761 CC(=O)N/C(=C\C1=CC(=C(C=C1)OC(=O)C)OC)/C(=O)NC(C)(C)C 1 1.013 2 5 0 -20.3114548782531 5718760 CC(=O)N/C(=C\C1=CC(=C(C=C1)OC(=O)C)OC)/C(=O)NC(C)(C)CC(C)(C)C 1 2.451 2 5 0 -21.0833566556114 5718744 C1CC2=C(C1)/C(=C/3\C=CC(=O)C(=C3)O)/NC4=C2C5=CC=CC=C5C=C4 1 3.833 1 2 -5.70714818869086 5718652 C/C(=C\C(=O)C)/N1C(C2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC(=CC=C4)F 1 4.101 2 2 -4.38434327843005 5718650 C/C(=C\C(=O)C)/N1C(C2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC(=CC=C4)F 1 4.101 2 2 -5.40383060382052 5718631 CCN1/C(=C/C=C/C2=[N+](C3=C(O2)C=CC4=CC=CC=C43)CC)/OC5=C1C6=CC=CC=C6C=C5.CC1=CC=C(C=C1)S(=O)(=O)[O-] Cc1ccc(cc1)S(=O)(=O)O 1 7.273 2 2 16.7076347716602 5718556 C1=CC=C2C(=C1)N=C(S2)NN/C=C/3\C=C(C=C(C3=O)Br)[N+](=O)[O-] 1 1.955 4 3 0 4.48650485204257 5718467 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)CC(COC3=CC=CC=C3)O.Cl Cl- 1 2.741 2 6 0 -10.2338338367027 5718412 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)C3CC3(C4=CC=CC=C4)C5=CC=CC=C5 1 3.378 3 1 -0.829190277685764 5718243 C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O 1 3.94 1 5 -8.0474950082532 5718242 C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O 1 3.94 1 5 -9.79079372968326 5718213 COC1=CC=C(C=C1)NC(=O)C2C3C2CC/C=C\CC3 1 3.203 1 2 -1.50039649057004 5718167 CC(=O)OC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)O2 1 3.376 1 4 -4.05382479280289 5718143 C1=C/C(=C\NNC2=CC=CC3=C2N=CC=C3)/C(=O)C=C1 1 1.958 3 1 0 -2.40994077515112 5718138 C1=CC=C2C(=C1)C=C/C(=N\NC3=CC=CC=N3)/C2=O 1 2.996 3 1 3.81015620953138 5718132 CC1=CC(=C(C=C1)OC)N/N=C/2\C=CC(=O)C3=C2C=CC=N3 1 3.364 3 2 0.191790932226272 5718107 CC(=C1C(=O)N(C(=O)N(C1=O)C)C)NC2=CC=CC=C2N 1 0.384 4 3 0 -10.4671727606838 5718086 C1=CC=C2C(=C1)/C(=C/NNC3=CC=C(C=C3)[N+](=O)[O-])/C=N2 1 2.343 4 2 0.997366057868771 5718044 CCOC(=O)/C(=C(\C)/NNC(=O)C)/N=O 1 -0.45 3 4 0 -3.93982034921991 5718033 CC1=CC=C(O1)C(=O)/C=C/C2=CC=C(C=C2)Br 1 3.991 0 2 4.58404641735165 5717957 CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 2.472 1 6 0 -4.5374324234126 5717939 CN(/C=C/C(=C/C=[N+](C)C1=CC=CC=C1)/OCCCS(=O)(=O)[O-])C2=CC=CC=C2 1 0.961 2 4 0 -8.7314193612818 5717927 CC/C(=C\C1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)[O-])/C=C\3/N(C4=C(O3)C=CC(=C4)OC)C 1 3.426 2 5 0 3.33013443550711 5717882 CC1=CC=C(C=C1)S(=O)(=O)NN/C(=C/2\C(=O)C3=CC=CC=C3OC2=O)/C 1 2.215 2 5 0 -7.6600520276678 5717862 COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3 1 4.165 5 4 0 -12.1763761212747 5717823 CC1=CC(=C(C=C1)NNC2=C(N=NC2=O)C)C 1 2.913 4 1 -5.73650100357411 5717798 C1=CC=C(C=C1)/C=C/S(=O)(=O)NCCCC(=O)O 1 0.734 1 4 0 -5.90922868985392 5717780 C1COCCN1C(C(Cl)(Cl)Cl)NC(=O)/C=C/C2=CC=CC=C2 1 3.129 2 2 -11.9189467356102 5717769 C1=CC=C(C=C1)C[N+]2=C(SC=C2C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C4.[Br-] Br- 1 5.461 3 2 0.488470178449169 5717745 C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 6.962 3 1 -12.9260558790393 5717744 C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)C(=O)O 1 5.263 3 3 -17.3314057853947 5717737 C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)Cl 1 6.298 3 1 -13.9410165883647 5717736 COC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)/C=C/C2=CC=CC=C2 1 5.617 3 2 -15.7790442777987 5717668 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NNC=C2C=CC(=O)C=C2 1 -0.231 3 4 0 -9.54295511746388 5717651 CC1=CC=C(O1)C(=O)/C=C/C2=CC=C(C=C2)F 1 3.448 0 2 4.93058449733152 5717622 CCCCCCOC(=O)C1=CC=CC=C1NC(=O)/C=C/C(=O)O 1 3.29 1 5 -11.8780968230496 5717583 C1=CC(=O)C=CC1=CNN2C(=NN=N2)N 1 -1.096 6 1 0 -5.03692935475248 5717567 C1=CC=C2C(=C1)/C(=C/NNC3=C(C(=C(C(=C3F)F)F)F)F)/C=N2 1 3.476 3 0 2.58715895302932 5717543 CCC(C1=CC=CC=C1)NC(=O)/C=C/C2=CC(=CC=C2)Br 1 4.739 1 1 -4.8164271399587 5717503 CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=C(C(=CC=C2)OC)O 1 2.319 0 6 0.220713076424702 5717501 CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC 1 2.303 0 7 0 -3.4894666046036 5717500 CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=C(C=C(C=C2)OC)OC 1 2.545 0 6 -2.41202331803529 5717454 C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NN/C=C/4\C=NC5=CC=CC=C54 1 3.299 3 1 1.36279989463833 5717413 C1=CC(=CC=C1N/N=C/2\C=CC(=O)C=C2O)[N+](=O)[O-] 1 1.904 3 4 0 -1.93424863406672 5717399 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CN=CC=C3 1 2.319 1 3 -2.33362791310633 5717398 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC=CC=N3 1 2.748 1 3 -2.71320984164713 5717385 CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=CC=CC=C2O 1 2.335 0 5 1.31486216702093 5717382 CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=CC=CC=C2 1 2.577 0 4 -2.37977633841914 5717339 C1C(C1C(=O)NN/C=C/2\C=NC3=CC=CC=C32)C4=CC=CC=C4 1 2.061 3 1 -2.32493014630448 5717209 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC(=O)C3=CC=C(C=C3)O 1 1.815 2 3 0 -8.19132319647365e-002 5717105 CCN1/C(=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[Cl-] Cl- 1 5.69 2 0 18.7387419807138 5717091 COC(=O)/C=C(/C1(CCCCC1)O)\OC2=CC=CC=C2 1 3.009 0 4 -0.755268496531765 5717090 C1CCC(CC1)(/C(=C/C(=O)O)/OC2=CC=CC=C2)O 1 2.783 0 4 1.33814510885544 5716992 C/C(=C\1/C(=O)C2=CC=CC=C2OC1=O)/N 1 0.832 1 3 0 -2.5769153149722 5716919 CC(CC1=CC=CC=C1)NC(=O)/C=C/C(=O)O 1 1.899 1 3 0 -5.99471540985658 5716911 CCCC/C(=C/1\C(=NC2=CC=CC=C21)C)/NO 1 2.685 2 1 -4.30512065187816 5716892 C1=CC=C2C(=C1)NC(=O)/C(=C\C3=CC=CS3)/S2 1 3.028 1 1 -2.09942543092246 5716883 C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)/C=C/C(=O)O)NC(=O)/C=C/C(=O)O 1 2.532 2 6 0 -5.56788093285788 5716880 CC(=O)NC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N 1 0.259 3 2 0 -11.455947354878 5716799 CC(=O)N1CC(=O)N/C(=C/C2=CC=CS2)/C1=O 1 -4.1e-002 2 3 0 -10.5784062259781 5716752 C1=CC=NC(=C1)/C(=C/C2=CC=NC=C2)/C#N 1 1.782 3 0 0 -6.78085814212919 5716751 C1=CC=NC(=C1)/C(=C/C2=CN=CC=C2)/C#N 1 1.782 3 0 0 -7.5480077128653 5716729 C1=CC=NC(=C1)/C=C(\C#N)/C2=CC=CC=N2 1 2.211 3 0 -5.35190292871459 5716715 CC(C)(C)C1=CC=C(C=C1)N2C(=O)CC(C2=O)C/C=C/C3=CC=CC=C3 1 4.809 1 2 1.23610157952282 5716713 CCOC(=O)/C(=C/C1=CC=C(C=C1)SC)/C#N 1 2.882 1 2 -5.49613926209226 5716499 C1CCCN(CC1)/C=C/C2=NN=NN2C3=CC=C(C=C3)C4=CC=CC=C4 1 4.024 5 0 -1.25729776726022 5716432 CO/C(=C\1/C(=O)C2(CC(C1)(C(=O)/C(=C(/OC)\O)/C2)C(=O)O)C(=O)O)/O 1 0.603 0 10 0 -5.40230403284003 5716358 CSC1=CC=CC(=C1)N/C(=N/S(=O)(=O)C2=CC=CC=C2)/NN 1 2.202 4 2 -4.61529606101202 5716328 CC1=CC=C(C=C1)N/N=C/2\C(=NN(C2=O)C)NC3=CC=CC=C3Cl 1 3.452 5 1 -2.44133384594816 5716327 CN1C(=O)/C(=N\NC2=CC(=CC=C2)Cl)/C(=N1)NC3=CC=CC=C3Cl 1 3.63 5 1 -0.489184203561797 5715775 CN1C(=CC(=N1)C(F)(F)F)C2=CC=C(S2)/C=C(\C#N)/C(=O)C3=CC(=CC=C3)C(F)(F)F 1 6.558 3 1 -1.57627375317529 5715773 CN1C(=CC(=N1)C(F)(F)F)C2=CC=C(S2)/C=C(\C#N)/C(=O)C3=CC=CC=C3 1 5.616 3 1 -5.61928562249979 5715699 CN(C)N1C=CC=C1/C=C(\C#N)/S(=O)(=O)C2=CC(=CC=C2)Cl 1 2.953 3 2 -4.69367646396805 5715694 CN(C)N1C=CC=C1/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.953 3 2 -4.75830176860481 5715448 C1=CC=NC(=C1)S(=O)(=O)/C(=C/C2=C(C=CC=C2Cl)F)/C#N 1 3.241 2 2 -5.7609070826424 5715389 CC(C)(C)C1=CC=C(C=C1)C(=O)/C(=C/C2=CC=CS2)/C#N 1 4.894 1 1 -7.34023483724466 5715386 CC(C)(C)C(=O)/C=C/1\NC(=O)CS1 1 1.559 1 2 0 -10.2373331829255 5715382 CC(C)(C)C1=CC=C(C=C1)C(=O)/C=C/2\NC(=O)CS2 1 3.087 1 2 -2.94382446401136 5715380 CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)C2CC2 1 2.787 2 1 -11.6093935451738 5715278 C1=CC=C(C=C1)N2/C(=C/3\C=NN=C3C4=CC=CC=C4F)/N=NN2 1 4.202 6 0 -3.30463644685061 5715188 CC(C)(C)C(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/N2C=NC=N2 1 2.715 4 3 0 -8.74316252985412 5715100 C1=CC=C(C=C1)C2=N/C(=C\C3=CC=CO3)/C(=O)NN2 1 1.446 3 2 0 -3.31538943968149 5715099 COC1=CC=C(C=C1)/C=C\2/C(=O)NNC(=N2)C3=CC=CC=C3 1 2.034 3 2 -4.7976134103165 5715098 C1=CC=C(C=C1)/C=C\2/C(=O)NNC(=N2)C3=CC=CC=C3 1 2.05 3 1 -4.84962248030496 5715097 C1=CC=C(C=C1)C2=N/C(=C\C3=CC=CC=C3Cl)/C(=O)NN2 1 2.715 3 1 -2.26348319776137 5715096 C1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)Cl)/C(=O)NN2 1 2.715 3 1 -2.56264851058554 5715095 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)NNC(=N2)C3=CC=CC=C3 1 2.001 3 4 0 -8.24181618842623 5715093 CC1=CC=C(C=C1)/C=C/2\C(=O)NNC(=N2)C3=CC=CC=C3 1 2.537 3 1 -4.38464720117236 5714962 C1CN=C2NN=C(N2C1)SCC(=O)C3=CC=CC=C3 1 2.014 4 1 -14.6285779150843 5714938 CCOC(=O)C1=NN(/C(=C/C2=NCCC3=CC(=C(C=C32)OC)OC)/S1)C4=CC=C(C=C4)Cl 1 5.794 3 4 0 -5.5281980071819 5714925 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)C/C=C/C4=CC=CC=C4 1 1.723 5 3 0 -12.8714841152353 5714902 CC1=CC(=NC2=C1C(=C(S2)C(=O)NN/C=C/3\C=CC(=O)C(=C3)OC)N)C 1 0.918 4 3 0 -3.69557725086341 5714865 C1CN=C2NN=C(N2C1)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.908 5 3 0 -15.9273281349322 5714812 COC1=C(C=C(C=C1)C(F)(F)F)N/C=C/C2=NN=NN2C3=CC4=CC=CC=C4C=C3 1 4.285 5 1 0.564022969680413 5714782 CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C=N3)N/C=C/4\C=CC(=O)C(=C4)OC)C 1 1.583 4 3 0 -4.39678953951112 5714738 C1CN=C2NNC(=S)N2C1 1 0.314 4 0 0 -5.66290585665559 5714708 COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)/C=C/C(=O)O 1 3.476 1 5 -3.7881848370752 5714657 C1=CC2=C(C=C1Cl)N=CN=C2OC3=NC=C(C=C3)NC(=O)/C=C/C(=O)O 1 2.904 4 4 0 7.817869827272e-002 5714656 C1CC1N2C(=O)NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O 1 2.478 3 4 0 -13.7105593711789 5714589 COC1=CC=C(C=C1)N2C(=NN=N2)/C=C/NC3=C(C=CC(=C3)C(F)(F)F)OC 1 3.36 5 2 0 -2.15897481977926 5714588 CC1=CC=C(C=C1)N2C(=NN=N2)/C=C/NC3=C(C=CC(=C3)C(F)(F)F)OC 1 3.863 5 1 -1.91478145954455 5714575 CC1=NC=C(N1)/C=C\2/C3=CC=CC=C3NC2=O 1 1.17 3 1 0 -3.41904044573825 5714572 C1=CC=C2C(=C1)/C(=C/C3=CN=CN3)/C(=O)N2 1 0.909 3 1 0 -0.99841306893897 5714571 C1=CC=C(C=C1)C2=NC=C(N2)/C=C\3/C4=CC=CC=C4NC3=O 1 2.834 3 1 -0.309296966188875 5714570 CCC1=NC=C(N1)/C=C\2/C3=CC=CC=C3NC2=O 1 1.837 3 1 0 -3.30048305028566 5714550 C1COCCN1C2=NC(=C(C=C2)NC(=O)/C=C/C(=O)O)N3CCOCC3 1 0.201 4 5 0 -4.43411671582298 5714545 CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)/C=C/C(=O)O 1 4.212 1 5 -3.03204937855071 5714537 COC(=O)C1=C(C=C(S1)C2=CC=CS2)NC(=O)/C=C/C(=O)O 1 2.765 1 5 -8.48897392213949 5714513 CCOC(=O)C1=C(N=C2C=CNC(=O)C2=C1)C(F)(F)F 1 1.579 2 3 0 -6.57031062884264 5714498 C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)N2C=CC(=N2)C(F)(F)F 1 2.791 3 3 -0.262033987763164 5714422 CC1=CSC=C1NC(=O)/C=C/C(=O)O 1 1.342 1 3 0 -4.26102627019069 5714421 CC1=CSC=C1NC(=O)/C=C(\C)/C(=O)O 1 1.788 1 3 0 -3.56590012337762 5714323 C1=CC(=CC(=C1)Cl)NC(=O)N/C=C/C2=CC=CO2 1 2.524 2 2 2.4489437614654 5714258 CC1=C(C2=C(C=C1)N/C(=C/3\C=CC=CC3=O)/CC(=O)N2)C 1 2.291 2 2 -8.63676559273469 5714163 C1=CC=C(C=C1)C2N=C3C=CC=CC3=C4N2C5=CC=CC=C5N4 1 4.551 3 0 -3.11910054784375 5714141 COC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/CC2)OC 1 4.615 0 5 -3.30010531259918 5714117 C1COCCN1C(=O)/C(=C/C2=CC=CS2)/C#N 1 1.192 2 2 0 -14.8368897151189 5714061 CN(C)/C=C/C(=O)C1=CC=C(C=C1)OC2=CC=CC=C2 1 3.284 1 2 2.42118521984468 5714039 C1=CC=C2C(=C1)N=CC(=N2)/C=C/C3=C(C=CC=C3Cl)F 1 4.578 2 0 2.3580807570931 5714027 CN(C)/C=C/C(=O)C1=C(C=C(C=C1)F)F 1 2.135 1 1 2.15107566973027 5714022 CC1=NC=C(C=C1)C(=O)/C=C/N(C)C 1 0.856 2 1 0 -3.53076570473007 5714003 CC1=C(N=NN1C2=C(C=C(C=C2)Cl)C#N)C(=O)/C=C/N(C)C 1 2.6 5 1 -7.55365832257954 5713998 CC1=C(N=NN1C2=C(C=C(C=C2)Cl)Cl)C(=O)/C=C/N(C)C 1 3.386 4 1 -5.52572217269161 5713997 CC1=C(N=NN1C2=CC(=C(C=C2)Cl)Cl)C(=O)/C=C/N(C)C 1 3.386 4 1 -4.55809004671988 5713994 CC1=CC(=O)/C(=C(\C)/NNC2=CC=CC=C2)/C(=O)O1 1 1.719 2 3 0 -4.22803319291075 5713982 CC1=C(N=NN1C2=CC(=C(C=C2)F)Cl)C(=O)/C=C/N(C)C 1 2.927 4 1 -4.27971584848298 5713979 C1=CC(=C(C(=C1)Cl)/C=C/C2=NC(=NC=C2)N)Cl 1 3.569 3 0 -0.696575830915602 5713978 C1=CC(=C(C(=C1)Cl)/C=C/C2=CC=NN2)Cl 1 3.88 2 0 -0.745868645210212 5713977 C1=CC(=C(C(=C1)Cl)/C=C/C2=NC(=NC=C2)N)F 1 3.11 3 0 -1.27019084171026 5713976 C1=CC(=CC=C1/C=C/C2=NC(=NC=C2)N)Cl 1 2.904 3 0 2.92736484040604 5713950 CC1=CC(=NO1)N2C=N/C(=C\3/C=NN=C3C)/N2 1 7.1e-002 6 1 0 -6.99158806110647 5713908 CC(C)(C)SCCNC(=O)/C=C/C1=CC=CC=C1 1 3.05 1 1 -8.80548400961966 5713900 C1=CC(=CC=C1/C(=N/S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)/N)Cl 1 4.793 2 2 2.84498122343098 5713872 C1=CSC(=C1)CNC(=O)/C=C/C(=O)NCC2=CC=CS2 1 1.842 2 2 0 -8.78677443277759 5713840 CN1/C(=C/2\C=C(C=C(C2=O)Cl)Cl)/C=CN1 1 0.543 2 1 0 -2.09081440024159 5713838 CN(C)/C=C/C(=O)C1=C(C=CC=C1F)F 1 2.135 1 1 -2.53393381897309 5713824 CC(C)(C)C(=O)/C(=C/C1=CC=CS1)/C#N 1 3.366 1 1 -10.0345860890249 5713776 C1=CC=C(C(=C1)C(=O)/C(=C/C2=CC=CS2)/C#N)Cl 1 4.158 1 1 -9.18673834498168 5713752 C1=CC=C(C(=C1)N)SC/C=C/CSC2=CC=CC=C2N 1 3.536 2 0 -2.77656747994813 5713747 C1=CC(=C(C(=C1)F)NC(=O)/C=C/C(=O)O)F 1 1.604 1 3 0 -3.29864867423569 5713719 CCOC(=O)/C(=C/C1=CC=CN1C2=CC=C(C=C2)Cl)/C#N 1 4.173 2 2 -3.46169757928528 5713687 C1=CC=C(C=C1)/C=C/C2=NC(=NO2)C3=CC=C(C=C3)Cl 1 4.277 2 1 7.86301551364495 5713608 COC1=CC=C/C(=C\NNC(=S)NC2CC3CC2C4C3CC=C4)/C1=O 1 1.988 3 2 0 -5.47333136890902 5713607 C1C=CC2C1C3CC2C(C3)NC(=S)NN/C=C/4\C=CC=CC4=O 1 2.3 3 1 -6.10487207197326 5713606 COCCCNC(=S)NN/C=C/1\C=CC(=O)C=C1O 1 -5.2e-002 3 3 0 -11.2992092822437 5713602 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN/C=C/3\C=CC(=O)C(=C3)OC 1 1.241 3 4 0 -6.10740917236926 5713592 C1CC2CC1CC2NC(=S)NNC=C3C=CC(=O)C=C3 1 2.156 3 1 -2.15793797738417 5713591 C1CC2CC1CC2NC(=S)NN/C=C/3\C=CC=CC3=O 1 2.156 3 1 -4.83253241225451 5713582 COCCCNC(=S)NNC=C1C=CC(=O)C=C1 1 0.486 3 2 0 -10.4497056629778 5713572 COCCCNC(=S)NN/C=C/1\C=CC=C(C1=O)OC 1 0.174 3 3 0 -12.3239865458744 5713504 C1=CC(=CC=C1/C(=C/C2=CC=NC=C2)/C#N)NC(=O)N 1 1.415 4 1 0 -8.5629738179648 5713502 COC1=CC(=C(C=C1NC(=O)/C=C/C(=O)O)Cl)OC 1 1.825 1 5 0 -7.59417891406403 5713499 CCOC(=O)NC(=O)/C(=C/C1=CC=C(C=C1)N(C)C)/C#N 1 2.283 3 3 -14.7630836780555 5713482 COC1=C/C(=C/NNC(=S)NC2CC3CCC2C3)/C=CC1=O 1 1.844 3 2 0 -2.26627643310485 5713463 CC(C)C1=CC=C(C=C1)NN=C2C(=O)NC(=O)NC2=O 1 1.847 4 3 0 -9.98058709392659 5713455 CN(C)C1=CC=C(C=C1)C(=O)NN/C=C/2\C=C(C=C(C2=O)Br)Br 1 2.074 3 2 -5.36166780200579 5713435 C1C2CC(C1C=C2)NC(=S)NN/C=C/3\C=C(C=C(C3=O)Cl)Cl 1 2.449 3 1 -0.387750360789347 5713426 C1CCN(CC1)C(=O)/C(=C/C2=CC=CN2)/C#N 1 1.853 3 1 0 -9.47947511546315 5713425 CC1CC(CC(C1)(C)C)NC(=O)/C(=C/C2=CC=CN2)/C#N 1 3.298 3 1 -11.7238770102496 5713424 C1CC(OC1)CNC(=O)/C(=C/C2=CC=CN2)/C#N 1 1.088 3 2 0 -15.5312785542603 5735640 CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=N4)C(=O)C)N=N1 1 3.676 5 2 0 -8.99681569912123 5735581 CC1=C(C(NC(=O)N1)/C=C/C2=CC=CC=C2OC)C(=O)OCC=C 1 2.133 2 4 -25.3573002178537 5735510 COC1=CC=CC=C1NC2=N/C(=C/3\C=CC=CC3=O)/NC4=CC=CC=C42 1 3.556 3 2 -5.49982060880142 5735517 CC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)\O)/C(=O)C(=O)N2CCCOC 1 1.598 2 7 0 -23.7682285130791 5735531 CC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)\O)/C(=O)C(=O)N2CCOC 1 2.765 2 6 0 -20.8302371102864 5735530 COCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC(=C(C=C4)OC)OC 1 1.017 2 9 0 -27.9855075077519 5735526 COCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)\O)/C(=O)C1=O)C4=CC(=C(C=C4)OC)OC 1 2.246 2 8 0 -26.0273247863022 5735423 C1=CC=C(C=C1)CCNC(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3 1 3.189 3 5 0 -19.9488641564727 5735441 CC1=CC=C(C=C1)N=C(C2=NC3=CC=CC=C3S2)NN/C=C/4\C=CC(=O)C(=C4)OC 1 3.508 4 2 2.34437234781117 5735443 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NC(CCSC)C(=O)O 1 2.271 2 5 0 -27.5754293101776 5735479 C1=CC=C(C=C1)CCNC(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3 1 3.189 3 5 0 -20.3029110928236 5735467 CN(C1CCS(=O)(=O)C1)C(=O)/C=C/C2=CC=CC=C2 1 1.219 1 3 0 -12.5428526702522 5735464 CCC(=O)NC(/C=C/C1=CC=CC=C1)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-] 1 3.542 3 4 0 -3.59514499609003 5735462 C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=CC=CC=C4C(=O)N3CCCO 1 2.458 2 4 -3.51304125357946 5735458 CC(CC1=CC=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 3.682 2 3 -7.57209746592004 5735412 C1=CC=C(C=C1)CCNC(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 3.794 3 4 0 -21.410712912738 5735409 COC1=CC(=C(C=C1)OC)NC2=N/C(=C/3\C=CC=CC3=O)/NC4=CC=CC=C42 1 3.539 3 3 -5.05340914950417 5735380 CC1=CC=C(O1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 3.01 0 4 2.55193384995353 5735374 CC(C)CCOC1=C(C=C(C=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OC 1 2.494 3 6 0 -16.2382970910156 5735373 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NC3=CC=CC=C3C(=O)O 1 3.184 2 5 0 -18.6262537233626 5713372 C1OC2=C(O1)C=C(C=C2)C(=O)/C=C\3/C4=C(C=CC(=C4)Br)NC3=O 1 3.133 1 4 -3.02498557410131 5713332 C/C(=C\C(=O)O)/C12CC3CC(C1)CC(C3)C2 1 3.265 0 2 4.18836239930764 5713317 C1=CC=C(C=C1)/C=C/CSC2=CC=CC=N2 1 3.811 1 0 -0.954123847351122 5713258 COC1=C(C=C(C=C1)/C=C/2\C(=O)N=C(N2)SC)OC 1 2.169 2 3 -10.4957894138731 5713290 COC1=CC=C(C=C1)/C=C\2/C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4 1 4.995 0 3 0.88708436949338 5713277 CC(=O)OC(C)(C)/C=C/C(=O)C(C)(C1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3(C2CC=C4C3CC[C@H](C4(C)C)O)CO)C)C)O)O 1 1.908 0 8 0 -2.34951916330569 5713207 CC1=CC(=NC(=N1)S/C=C/C(=O)C2=CC=C(C=C2)F)C 1 3.289 2 1 -8.50250472553989e-002 5713206 CC1=CC(=NC(=N1)S/C=C/C(=O)C2=CC=CC=C2F)C 1 3.289 2 1 -2.77273853063384 5713202 CC1=CC(=NC(=N1)S/C=C/C(=O)C2=CC=CC=C2)C 1 3.083 2 1 -1.59254964023 5713198 C1=CC(=CC=C1/C(=C/C=C(C#N)C#N)/NC2=CC=C(C=C2)Cl)Cl 1 4.902 3 0 0.834157253046952 5713186 COC1=CC=C(C=C1)C(=O)/C=C/SC2=NC3=CC=CC=C3O2 1 3.827 1 3 2.16259940775859 5713123 CC[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)N(C)C.[I-] I- 1 4.223 2 0 0.709584288840002 5713121 C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C.[I-] I- 1 5.074 2 0 3.44271821673896 5713065 CCO/C(=C/1\CN(C(=O)C1=O)CC2=CC=CC=C2)/O 1 1.612 1 4 0 -4.20047282891758 5712983 C1=CC=C(C=C1)/C=C/C(=O)NC2=C(N=CC=C2)OC3=CC=CC=C3F 1 4.236 2 2 -4.15578784780273 5712973 C1=CC(=CC=C1/C=C\2/C(=O)NC(=O)N2)OS(=O)(=O)C3=C(C=C(C=C3)F)F 1 2.282 2 5 0 -14.1842534728123 5712940 CN1C(=CN=C1/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)OC)OC)[N+](=O)[O-] 1 1.407 5 5 0 -17.8588412049476 5735359 C1=CC=C(C=C1)CCNC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CO3 1 3.294 2 3 -18.3194416482481 5735353 CC1=C(C=C/C(=C\2/C(=C(NN2)C)C3=CC=C(C=C3)OC)/C1=O)OC 1 1.71 2 3 0 -4.96132238181531 5735338 C1=CC=C(C=C1)CCNC(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=C(C=C3)Br 1 4.542 3 4 0 -19.956694937695 5735320 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=NC(=CC(N3N2)C4=CC=C(C=C4)Cl)C 1 3.853 5 2 0 -3.47030035273914 5735319 COC1=CC=C(C=C1)/C=C(\C(=O)O)/NC(=O)/C=C/C2=CC=CC=C2 1 2.867 1 4 -8.23830378577123 5735313 CCNC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)/C=C/C2=CC=CC=C2 1 2.811 2 2 -13.6148136201441 5735304 C1COCCN1C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC(=CC=C3)Br 1 2.531 3 5 0 -20.7671773835823 5735297 C1=CC=C(C=C1)/C=C/C(=O)N/C(=C\C2=CC=CO2)/C(=O)N 1 1.652 2 3 0 -7.25014520733626 5735286 C1=CC=C(C=C1)/C=C/C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCCO 1 1.318 2 4 0 -13.5771612366032 5735281 C1=CC=C(C=C1)/C=C/C(=O)N/C(=C\C2=CC=CO2)/C(=O)O 1 2.279 1 4 -7.15210852823954 5735268 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)N3CCOCC3 1 1.872 2 4 0 -19.6995599369763 5735264 COC1=CC=C(C=C1)/C=C(\C(=O)NCCC2=CC=CC=C2)/NC(=O)C3=CC=CO3 1 3.278 2 4 -18.2674325782596 5735252 CC1=CC(N2C(=N1)N=C(N2)NC(=O)C)C3=CC=C(C=C3)Cl 1 1.353 5 1 0 -4.34591914704798 5735251 CC1=CC2=CC(=C(N=C2C=C1)N3CCCCC3)/C=C/4\C(=NN(C4=O)C5=CC=CC=C5)C 1 5.325 4 1 0.740296231895294 5735236 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=C(C=C3)Cl)CCO 1 3.292 2 2 -0.550055681778803 5735219 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.184 2 5 0 -16.6894802592282 5735215 CCNC1=NC(=NC(=N1)OC2=NN=C(C=C2)OCC3=CC=CC=C3)NCC 1 3.466 7 2 0 -5.59238851970765 5735208 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NC3=CC=CC(=C3)C(=O)O 1 3.184 2 5 0 -16.909660009672 5735198 CN1C2=CC=CC=C2N=C1/C=C/C3=CC=C(C=C3)OC 1 3.927 2 1 7.78877192991451 5735193 CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)N(C2=O)CC3CCCO3 1 2.289 3 4 0 -16.1348573037623 5735184 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)/C=C/C4=CC=CC=C4 1 3.085 4 4 0 -4.25023440972991 5735149 CC1=C(/C(=C\2/C=CC(=CC2=O)OCC3=CN(N=C3)C4=CC=CC=C4)/NN1)OC5=CC=C(C=C5)Cl 1 3.54 4 3 0 2.42085428224827 5735148 COC1=CC=C(C=C1)C(=O)/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4O3 1 5.049 1 3 -2.56282289260471 5735143 CC1=CC=C(S1)/C=C\2/C(=O)NC(=O)N(C2=O)CC3CCCO3 1 1.528 2 4 0 -7.55677602578161 5735128 COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)F)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 5.217 1 6 0 -3.40876844191986 5735057 CCOC(=O)C1=C(NC(=O)NC1/C=C/C2=CC=CC=C2OC)C 1 1.865 2 4 0 -21.4846204986829 5735038 CC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CO3 1 5.763 0 4 0.477239449810504 5735026 C1CC2=C(C3=CC=CC=C31)N=C4N=CNN4C2C5=CC=C(C=C5)Cl 1 3.29 4 0 -1.08452363365986 5735010 CC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 5.498 1 6 0 -4.12064546738511 5735007 C1COCCN1C(=O)OC2=C(C=C(C=C2)Cl)C(=O)/C=C/C3=CC=CS3 1 3.976 1 4 -4.02105682944469 5734989 CC1=C/C(=C/2\CC(ON2)(C(C(F)F)(F)F)O)/C(=O)C=C1 1 1.348 1 3 0 -6.40319547871284 5734987 CC1=C(C(NC(=O)N1)/C=C/C2=CC=CC=C2)C(=O)OCCOC 1 1.401 2 4 0 -21.9282963716704 5734968 COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2F)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 5.217 1 6 0 -3.76429033687977 5734937 C1=CC=C(C=C1)CN2/C(=C/3\C=C(C=CC3=O)Br)/NNC2=S 1 3.555 3 1 -2.33863528140775 5734909 CCN1/C(=C/2\C=CC=CC2=O)/NNC1=S 1 1.867 3 1 0 -3.81729583922356 5734908 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)F)C(=O)/C=C/C3=CC=CS3 1 5.187 1 5 -8.32080092231553 5734882 CC1=C(C(NC(=O)N1)/C=C/C2=CC=CC=C2OC)C(=O)OC(C)C 1 2.242 2 4 -22.8365753164383 5734870 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=C(O3)Br 1 3.479 2 5 0 -21.6178813326062 5734863 CC1=C/C(=C/2\CC(NN2)(C(F)(F)F)O)/C(=O)C=C1 1 1.013 2 2 0 -3.11863205608119 5734843 CC(=O)NC1=NN=C(S1)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 1.711 4 3 0 -7.21013162433126 5712544 CC(C)(C)NC(=S)N(C)N/C=C/1\C=C(C=C(C1=O)Cl)Cl 1 2.429 3 1 -8.43923414162669 5712446 C1=CC=C(C=C1)N2C(=C(C(=N2)/C(=C/C3=C(C=CC=C3Cl)Cl)/C#N)C#N)N4C=CC=C4 1 6.518 5 0 -6.59793171198759 5712445 C1=CC=C(C=C1)N2C(=C(C(=N2)/C(=C/C3=C(C=CC=C3Cl)F)/C#N)C#N)N4C=CC=C4 1 6.059 5 0 -7.08535111244306 5734793 CC1=CC(=NC(=N1)N/C(=N\S(=O)(=O)CC2=CC=CC=C2)/NC3=CC=CC=C3)C 1 3.249 5 2 0 -9.23498425308805 5734791 COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)F)OC(=O)C3=CC(=C(C=C3)OC)OC)OC 1 5.273 0 7 0 -8.36499133024154 5734740 CC1=CC(=C(C=C1)C)N/C(=N/C2=NC(=CC(=N2)C)C)/N 1 2.857 5 0 -3.84387946939718 5734713 CC1=C(C(N2C(=N1)N=CN2)C3=CN=CC=C3)C(=O)NC4=CN=CC=C4 1 -0.726 7 1 0 -13.5575962166354 5734646 CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3 1 3.62 6 3 0 -26.1433065369402 5734638 COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2OC)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.995 1 7 0 -4.51864174041499 5734620 CC1=C(C(NC(=O)N1)/C=C/C2=CC=CC=C2)C(=O)OC 1 1.532 2 3 0 -19.1133727105903 5712236 C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)N2C(=CC=N2)C(F)(F)F 1 2.654 3 3 -7.29076462186427 5712177 C1=COC(=C1)C(=O)/C=C/C2=CC=C(C=C2)Br 1 3.845 0 2 2.53991633326196 5711948 CC1=C(C(N2C(=N1)N=NN2)C3=CC=NC=C3)C(=O)NC4=CC=CC=C4OC 1 1.93 7 2 0 -18.2005254478603 5711924 CCN(CC)C(=O)C1=C(N=C2N=CNN2C1C3=CN=CC=C3)C 1 -0.248 6 1 0 -14.8451325615865 5711796 CC1=C(C(N2C(=N1)N=NN2)C3=C(C=C(C=C3)OC)OC)C(=O)NC4=CC=CC=C4OC 1 3.048 6 4 0 -19.4419513061354 5711794 CC1=C(C(N2C(=N1)N=NN2)C3=CC=CC=C3OC)C(=O)NC4=CC=CC=C4OC 1 3.064 6 3 0 -19.1577375546065 5711760 CC1=C(C(N2C(=N1)N=CN2)C3=CC=NC=C3)C(=O)OC(C)C 1 0.222 5 2 0 -16.2323637349277 5711745 CC1=C(C(N2C(=N1)N=CN2)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)C 1 2.088 4 2 -14.6130230340116 5711742 CCCCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)C)OC 1 2.919 4 3 0 -18.051746233646 5711741 CC1=C(C(N2C(=N1)N=CN2)C3=CC(=CC=C3)OC)C(=O)C 1 0.504 4 2 0 -11.6955197742678 5711738 CC1=C(C(N2C(=N1)N=CN2)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)C 1 0.399 5 4 0 -17.7811118206675 5711682 CC1=C(SC=C1)C2C(=C(N=C3N2NN=N3)C)C(=O)N 1 1.648 6 1 0 -12.3693801285905 5711680 CC1=C(C(N2C(=N1)N=CN2)C3=CC=CS3)C(=O)N 1 -0.361 5 1 0 -13.1633774095926 5711676 CCOC1=C(C=C(C=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)N)OC 1 0.755 5 3 0 -17.4259234470427 5711672 CC1=C(C(N2C(=N1)N=CN2)C3=CC=CC=C3OC)C(=O)N 1 -0.224 5 2 0 -11.6229505688434 5711671 CC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)OC)C(=O)N 1 -0.224 5 2 0 -10.9694200340331 5711668 CC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)Br)C(=O)N 1 0.541 5 1 0 -10.1911148794036 5711667 CC1=C(C(N2C(=N1)N=CN2)C3=CC(=C(C=C3)Cl)Cl)C(=O)N 1 1.122 5 1 0 -10.3455760256468 5711666 CC1=C(C(N2C(=N1)N=CN2)C3=C(C=C(C=C3)Cl)Cl)C(=O)N 1 1.122 5 1 0 -8.81626444124035 5711664 CC1=C(C(N2C(=N1)N=CN2)C3=CC=CC=C3[N+](=O)[O-])C(=O)N 1 -0.313 6 3 0 -13.1668490426924 5711660 CCN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)CCC3=CC=CC=C3 1 4.302 3 1 -6.99010658490013 5711655 CC1=C(SC=C1)C2C3=C(CCCC3=O)N=C4N2NC=N4 1 1.863 4 1 0 -10.757776817219 5711640 CCOC(=O)C1=C(N=C2N=NNN2C1C3=C(C(=CC=C3)OC)OC)C 1 2.484 5 4 0 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5708411 C1=C(C=NC(=C1Cl)NCCNC(=O)/C=C/C(=O)O)C(F)(F)F 1 2.069 3 3 -1.95265897164649 5708371 CCN1C2=CC=CC=C2N=C1/C=C/C3=CC=CC=C3 1 4.293 2 0 5.88009070341429 5708370 CN1C2=CC=CC=C2N=C1/C=C/C3=CC=CC=C3 1 3.944 2 0 7.8613813249619 5708351 C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=CCOC3=O)(C)CO)O 1 2.579 0 4 -1.42411077611093 5708253 CC(=O)N/C(=C\C1=CC=CS1)/C(=O)O 1 0.705 1 3 0 -9.09374289925452 5708224 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N(CCO)CC3=CC=CC=C3)OC 1 3.572 2 5 0 -22.8069630514983 5708220 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N(CCO)C3=CC=CC=C3)OC 1 3.565 2 5 0 -17.9153621283007 5708215 CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N(CCO)C3=CC=CC=C3 1 3.93 2 4 -14.4628001837415 5708210 C1=CSC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O 1 3.858 3 5 0 -13.6396939661841 5708187 COC1=C/C(=C/NNC(=O)CCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)/C=CC1=O 1 2.437 4 3 0 -7.13735004882491 5708162 C1=CC=C(C=C1)C2=CC=C(O2)/C=C\C(=O)C3=CC=CC=C3 1 4.907 0 2 4.52597631151933 5708138 COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NC2CCS(=O)(=O)C2 1 0.33 1 7 0 -15.5028933834486 5708135 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 0.966 6 4 0 -15.0853984915553 5708117 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NNC(=O)C3=CC=CC=C3O 1 3.251 3 5 0 -14.5275578684708 5708114 COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCC2CCCO2 1 1.181 1 6 0 -11.1496351470745 5708099 CC1=NC(=C(C(=C1)/C=C\C2=CC=CC=C2)C#N)SCC=C 1 4.524 2 0 -7.24273986628762 5708098 CC1=NC(=C(C(=C1)/C=C\C2=CC=CC=C2)C#N)SC 1 3.907 2 0 -3.90109992891588 5708076 CN1C2=CC=CC=C2/C(=N/NC3=CC=C(C=C3)F)/C1=O 1 2.941 3 1 -0.348944249034944 5708073 C1=CC=C(C=C1)/C=C/C2=NN(C(=O)C=C2)CC3=C(C=C(C=C3)Cl)Cl 1 5.024 2 1 2.43758406571277 5708069 C1=CC=C(C=C1)/C=C/C2=NN(C(=O)C=C2)CC3=CC=CC=C3Cl 1 4.359 2 1 -0.278355804936313 5708068 CC1=CC=C(C=C1)/C=C/C2=NN(C(=O)C=C2)CC3=C(C=C(C=C3)Cl)Cl 1 5.51 2 1 2.60952788279712 5708066 CC1=CC=C(C=C1)/C=C/C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)F 1 4.386 2 1 0.955032646524101 5708065 CC1=CC=C(C=C1)/C=C/C2=NN(C(=O)C=C2)CC3=CC=CC=C3Cl 1 4.845 2 1 6.20010091604443e-002 5708056 CC(C(=O)/C=C/N(C)C)OC1=C(C=C(C=C1)F)F 1 2.445 1 2 -2.87847400964213 5708052 CC(C(=O)/C=C\N(C)C)OC1=CC(=CC=C1)F 1 2.239 1 2 -0.882329465786273 5708036 CN\1C2=CC=CC=C2N/C1=C/3\C=CC(=O)N=C3 1 2.187 3 1 -4.88410852922264 5708035 CC1=CC2=C(C=C1C)NC(=C3C=CC=NC3=O)N2 1 2.806 3 1 -6.46351205782363 5708032 CC1=CC=CC=C1CN\2C3=CC=CC=C3N/C2=C/4\C=CC(=O)N=C4 1 4.257 3 1 -5.14452191782394 5708029 C1=CC=C2C(=C1)N/C(=C\3/C=CC(=O)N=C3)/N2CC4=CC=C(C=C4)Cl 1 4.435 3 1 -1.53302749791981 5708028 C1=CC=C(C(=C1)CN\2C3=CC=CC=C3N/C2=C\4/C=CC(=O)N=C4)Cl 1 4.435 3 1 -4.15365674543368 5708015 C1CN(CCN1CC2CN3C(=N2)C4=CC=CC=C4NC3=O)C(C5=CC=CC=C5)C6=CC=CC=C6 1 4.17 5 1 -7.53843505862116 5708012 COC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2/C=C/C4=CC=CC=C4 1 5.511 2 1 3.81404593450614 5708007 C1CN(CCN1CC2CN3C(=N2)C4=CC=CC=C4NC3=O)CC5=CC=CC=C5 1 2.557 5 1 -0.621058408466672 5708003 C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N2 1 3.738 2 0 4.79294179429043 5708002 C1=CC=C2C(=C1)NC(=N2)/C=C/C3=CC=C(C=C3)Cl 1 4.402 2 0 6.95529729897401 5708000 C1CN(CCN1CC2CN3C(=N2)C4=CC=CC=C4NC3=O)C5=CC=CC=C5F 1 2.852 5 1 1.04390998009817 5707999 C1CN(CCN1CC2CN3C(=N2)C4=CC=CC=C4NC3=O)C5=CC=C(C=C5)F 1 2.852 5 1 1.35098865606176 5707997 C1=CC=C2C(=C1)NC(=N2)/C=C/C3=C(C=CC=C3Cl)Cl 1 5.067 2 0 3.23396240112759 5707974 CC(C)SC1=NC(C=C(N1)/C=C/C2=C(C=C(C=C2)Cl)Cl)(C)C 1 5.443 2 0 2.08719101499132 5707958 CC(C)SC1=NC(C=C(N1)/C=C/C2=C(C=CC=C2Cl)Cl)(C)C 1 5.443 2 0 -2.17394503666701 5707908 C1=CC(=CC(=C1)Cl)/C=C(\C#N)/C2=NNC(=N2)CN3C=NC=N3 1 1.924 7 0 0 -9.81515650230046 5707907 COC1=CC=C(C=C1)/C=C(\C#N)/C2=NNC(=N2)CN3C=NC=N3 1 1.243 7 1 0 -13.2034664862597 5707906 C1=CC(=CC=C1/C=C(\C#N)/C2=NNC(=N2)CN3C=NC=N3)F 1 1.465 7 0 0 -12.0786232516503 5707905 C1=CC(=C(C=C1Cl)Cl)/C=C(\C#N)/C2=NNC(=N2)CN3C=NC=N3 1 2.588 7 0 0 -10.1275345563386 5707904 C1=CC(=CC=C1/C=C(\C#N)/C2=NNC(=N2)CN3C=NC=N3)Cl 1 1.924 7 0 0 -10.9685015865288 5707869 CSC1=NN2C(=CC=NC2=N1)/C=C\C3=CC=CC=C3 1 3.718 4 0 -1.46780164416419 5707864 CCOC(C1=CC=C(C=C1)/C=C\C2=NC=CC(=N2)N)OCC 1 2.501 3 2 0.814711348725903 5707834 CN1C=CC=C1C(=O)/C(=C/C2=CC=CC=C2OC)/C#N 1 3.115 2 2 -10.1641986378346 5707820 CC(C(=O)OC)SC1=NC(=O)/C(=C\C2=CC=C(C=C2)N3C=NC=N3)/N1 1 1.936 5 3 0 -16.6450298231024 5707818 CCOC(=O)CSC1=N/C(=C/C2=CC=C(C=C2)N3C=NC=N3)/C(=O)N1C(=O)C 1 1.791 5 4 0 -21.8723298654885 5707816 CCOC(=O)CSC1=NC(=O)/C(=C\C2=CC=C(C=C2)N3C=NC=N3)/N1 1 1.801 5 3 0 -19.6242460604727 5707815 COC(=O)/C=C/CSC1=NC(=O)/C(=C\C2=CC=C(C=C2)N3C=NC=N3)/N1 1 2.133 5 3 0 -13.6336349524046 5707799 C/C(=C/1\C=CC=N1)/NNC2=CC=CC3=C2N=CC=C3 1 1.842 4 0 0 -3.19205943332845 5707744 C1=CC(=O)C=CC1=C2NNC(=C3C=CC(=O)C=C3)N2N 1 0.219 4 2 0 -3.05235555687049 5707725 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)/C=C/C3=CC=C(C=C3)OC 1 5.304 1 2 4.5547233948072 5707722 C1=C/C(=C\NN2C(=NNC2=S)C3=CC=CS3)/C(=O)C=C1 1 2.024 4 1 -8.61358900567042 5707713 C1=CC=C(C(=C1)/C=C/2\C(=O)NC(=O)S2)OC3=CC(=C(C=C3)F)F 1 3.913 1 3 7.86787533406242 5707712 C1=CC=NC(=C1)C2=CC=NC(=C3C=CC(=O)C=C3)N2 1 1.611 3 1 0 -1.49190544874391 5707703 CC(C)(C)C1=C/C(=C\NO)/C(=O)C=C1 1 1.34 1 2 0 -0.941450513203121 5707702 CC1=C(C(N2C(=N1)N=CN2)C3=CC(=C(C=C3)O)OC)C(=O)C 1 0.262 4 3 0 -11.4703018124577 5707557 CCOC(=O)CN1C(=O)C=CC(=N1)/C=C/C2=CC=C(C=C2)C(C)C 1 3.361 2 3 -6.44296068494566 5707556 CC(C)C1=CC=C(C=C1)/C=C/C2=NN(C(=O)C=C2)C 1 3.305 2 1 -0.682309085939687 5707555 C1=CC=C(C=C1)/C=C/C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)F 1 3.9 2 1 0.783088829439746 5707553 CC1=CC=C(C=C1)/C=C/C2=NN(C(=O)CC2)CC3=CC(=C(C=C3)Cl)Cl 1 5.112 2 1 0.140603506849447 5707551 CC(C)(C)C1=CC=C(C=C1)CN2C(=O)CCC(=N2)/C=C/C3=CC=CC=C3 1 4.697 2 1 0.987068905259957 5707550 CCOC(=O)C(C)N1C(=O)CCC(=N1)/C=C/C2=CC=C(C=C2)OC 1 2.237 2 4 -9.24808894486751 5707549 CCOC(=O)C(C)N1C(=O)C=CC(=N1)/C=C/C2=CC=C(C=C2)OC 1 2.635 2 4 -6.97046794717073 5707548 CCOC(=O)CN1C(=O)C=CC(=N1)/C=C/C2=CC=C(C=C2)OC 1 2.151 2 4 -7.06834364210639 5707547 COC1=CC=C(C=C1)/C=C/C2=NN(C(=O)C=C2)CC3=CC=CC=C3 1 3.678 2 2 -0.984625492864887 5707544 CCOC(=O)CN1C(=O)C=CC(=N1)/C=C/C2=CC=C(C=C2)C 1 2.653 2 3 -6.72642038159729 5707505 C1=CC=C2C(=C1)C3=NNC(=C4C=CC(=O)C=C4)C=C3C2=O 1 1.865 2 2 0 -4.35875693420647 5707487 C1CN(CCN1CC2CN3C(=N2)C4=CC=CC=C4NC3=O)C5=CC(=CC=C5)Cl 1 3.31 5 1 4.94431255360688 5707484 CC1=CC=C(O1)C(=O)/C=C/N(C)C 1 1.265 1 2 0 2.77273282633319 5707443 CCSC1=NC(C=C(N1)/C=C/C2=C(C=C(C=C2)Cl)Cl)(C)C 1 5.065 2 0 1.14554746949828 5707438 CC1(C=C(NC(=N1)SC)/C=C/C2=CC=C(C=C2)Cl)C 1 4.052 2 0 2.31692588194935 5707428 C1=CC=C(C=C1)COC(=O)/C=C/C2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.621 1 2 1.92097751538251 5707405 C1=CC=C2C(=C1)/C(=C/NNC(=NC3=CC=C(C=C3)F)C[N+](=O)[O-])/OC2=O 1 1.726 4 4 0 0.911177690209175 5707376 COC\1=CC(=O)O/C1=C\NC2=CC=C(C=C2)C(F)(F)F 1 2.043 1 3 1.19313199519399 5707375 COC\1=CC(=O)O/C1=C\NC2=CC=C(C=C2)C(=O)O 1 0.73 1 5 0 -5.27518885048465 5707374 COC\1=CC(=O)O/C1=C\NC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.661 1 4 -0.593328650922607 5707373 COC\1=CC(=O)O/C1=C\NC2=C(C=C(C=C2)Cl)Cl 1 2.429 1 3 -0.20354431372949 5707370 COC\1=CC(=O)O/C1=C\NC2=CC=C(C=C2)Cl 1 1.765 1 3 0 -0.580636201551485 5707369 COC\1=CC(=O)O/C1=C\NC2=CC=CC=C2 1 1.1 1 3 0 -2.55928903051165 5707319 C1=CC(=CC(=C1)C(F)(F)F)CN/C=C\2/C(=NNC2=O)C(F)(F)F 1 2.352 3 1 -7.21044918097466 5707305 CSC1=NC(=O)/C(=C\C2=CC=C(C=C2)N3C=NC=N3)/N1 1 1.745 5 1 0 -10.2560332020478 5707302 CN(C)/C=C/C(=O)C1=C(C=C(C=C1)C(F)(F)F)F 1 2.872 1 1 4.09412671893873 5707301 CN(C)/C=C/C(=O)C1=CC(=CC(=C1)F)C(F)(F)F 1 2.872 1 1 2.35661205796989 5707297 C1=CC(=CC=C1/C=C/2\C(=O)N=C(N2)SCCCF)N3C=NC=N3 1 2.208 5 1 -14.4171541413596 5707265 CN1C(=O)C(=CC2=C(NC3=CC=CC=C32)C(=O)OC)C(=O)N(C1=O)C 1 1.716 3 5 0 -8.66758634675733 5707228 C1CN\2CCC1C(/C2=C/C3=CC=C(C=C3)C(F)(F)F)O 1 2.804 1 1 5.08094817858983 5707221 C1CN\2CCC1C(/C2=C/C3=CC=CC=C3F)O 1 2.067 1 1 2.79853554739115 5707216 C1CN\2CCC1C(/C2=C/C3=CC=CC=C3C(F)(F)F)O 1 2.804 1 1 2.90997172578285 5707211 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3 1 4.656 1 1 2.20619921791672 5707201 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)OC 1 4.64 1 2 2.25820828790518 5707080 COC1=CC=C(C=C1)/C=C/C2=NNC(=O)C=C2 1 1.889 2 2 0 -6.05560374109641 5707079 CC1=CC=C(C=C1)/C=C/C2=NNC(=O)C=C2 1 2.392 2 1 -5.64263753195227 5707078 CCOC(=O)CN1C(=O)C=CC(=N1)/C=C/C2=CC=CC=C2 1 2.167 2 3 -6.89836419868165 5707077 CCOC(=O)C(C)N1C(=O)C=CC(=N1)/C=C/C2=CC=CC=C2 1 2.651 2 3 -6.800488503746 5707075 CN1C(=O)C=CC(=N1)/C=C/C2=CC=CC=C2 1 2.111 2 1 -1.13771259967568 5707074 CCOC(=O)C(C)N1C(=O)CCC(=N1)/C=C/C2=CC=C(C=C2)C 1 2.739 2 3 -8.90616568435841 5707073 C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)/C=C/C3=CC=CC=C3 1 3.695 2 1 -1.03663456285335 5707072 C1=CC=C(C=C1)/C=C/C2=NNC(=O)C=C2 1 1.905 2 1 0 -5.81458134903662 5706991 CC1(C=C(NC(=N1)SC)/C=C/C2=C(C=CC=C2Cl)Cl)C 1 4.716 2 0 -1.30701478937229 5706989 CC1(C=C(NC(=N1)SC)/C=C/C2=C(C=C(C=C2)Cl)Cl)C 1 4.716 2 0 2.95412126228603 5706980 CON/C=C(\C=NC1=CC=C(C=C1)Cl)/C2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.075 3 1 8.3603441172714 5706969 CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=C(C=C3)OC)/C(=C/C(=O)C)/O 1 1.56 3 4 0 -0.869096788546628 5706965 CC1=CC(=O)/C(=C(\C)/NNC2=CC=C(C=C2)Cl)/C(=O)O1 1 2.384 2 3 -2.24938036395058 5706962 CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=C(N3)C)/C(=C/C(=O)C)/O 1 2.063 3 3 -0.644427173736291 5706948 CC1(CC(=CC(=O)C1)/C=C/N(C)C)C 1 1.718 1 1 0 -6.93547715119787 5706931 CCOC(=O)/C(=C/C1=CC=C(O1)C2=C(SC=C2)C(=O)OC)/C#N 1 3.354 1 5 -11.9731135252517 5706902 CC1=C(C=CC(=C1)O)N/C=C/C2=C(C(=NO2)C)[N+](=O)[O-] 1 2.324 3 4 0 3.32729299338065 5706892 CC1=NOC(=C1[N+](=O)[O-])/C=C/NC2=CC=CC=C2OC 1 2.063 3 4 0 0.418550635321022 5706891 CC1=CC=C(C=C1)N/C=C/C2=C(C(=NO2)C)[N+](=O)[O-] 1 2.566 3 3 1.87054525850957 5706888 CC1=C(C(=CC=C1)C)N/C=C/C2=C(C(=NO2)C)[N+](=O)[O-] 1 3.052 3 3 1.53236780380016 5706880 CC1=NOC(=C1[N+](=O)[O-])/C=C/NC2=C(C=C(C=C2)F)F 1 2.49 3 3 3.33500221166226 5706877 CC1=NOC(=C1[N+](=O)[O-])/C=C/NC2=CC(=CC=C2)OC 1 2.063 3 4 0 1.61992272925819 5706876 CC1=CC(=CC=C1)N/C=C/C2=C(C(=NO2)C)[N+](=O)[O-] 1 2.566 3 3 3.37553250270999 5706873 C1=CSC(=C1)CN/C=C\2/C(=NNC2=O)C(F)(F)F 1 1.15 3 1 0 -11.5433796794589 5706870 C1COCCN1N/C=C\2/C(=NNC2=O)C(F)(F)F 1 -0.843 4 2 0 -9.41843366462868 5706866 CN(C)/C=C/C(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] 1 2.283 2 3 -2.95445887288696 5706853 C1=CC(=CC=C1/C(=C\C#N)/N)Br 1 1.728 2 0 0 -1.60948148041013 5706848 C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)/C(=C\C#N)/N 1 2.937 4 0 2.01654846188842 5706846 CCOC(=O)C/C(=N/NC(=O)C1=C(C=C(C=C1)Cl)Cl)/N 1 1.975 3 3 0 -3.26150867562536 5706842 C1=CC(=C(C=C1Cl)Cl)C(C#N)C2=NN=C(C=C2)Cl 1 4.251 3 0 1.62325960806871 5706837 COC1=CC=C(C=C1)C(C#N)C2=NN=C(C=C2)Cl 1 2.906 3 1 -0.230887829359227 5706822 CN(C)/C=C/C(=O)C1=C(C=CS1)Br 1 2.426 1 1 -2.20757652337503 5706819 CC1=C2C(C3=C(CC(CC3=O)(C)C)N=C2NN1)C4=CC=CC=C4 1 1.904 3 1 0 -17.3894501318924 5706800 C1=CN=C(N=C1)OC2=CC=C(C=C2)/C=C/C(=O)O 1 2.23 2 3 -0.639799168045742 5706764 COC1=CC=CC=C1CNC(=O)C2=CC=C(O2)C3=CC=CC=C3C(F)(F)F 1 4.752 1 3 -5.16152433596804 5706431 CC1=CC=C(C2=CC=CC=C12)C3=CC=C(O3)C(=O)NC4=CC=CC=C4 1 5.214 1 2 1.25614820187459 5706409 CC1=NN(C(=C1/C=C/C(=O)O)Cl)C 1 1.319 2 2 0 1.62525034325383 5706357 CC(=O)C1=C(C=C(S1)C(C)(C)C)NC(=O)/C=C/C(=O)O 1 2.578 1 4 -5.76190012173236 5706277 COC1=CC(=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)OC 1 3.669 0 3 1.12905820858726 5706270 CC1=CC=C(C2=CC=CC=C12)C3=CC=C(O3)C(=O)NC4=CC=C(C=C4)OC 1 5.197 1 3 1.1682491281162 5706181 CC1=CC=C(C2=CC=CC=C12)C3=CC=C(O3)C(=O)NC4=CC(=CC=C4)F 1 5.419 1 2 3.27482677636601 5706152 CC1=CC=C(C=C1)C2=CC=C(O2)/C=C/C(=O)C3=CC=CC=C3 1 5.393 0 2 5.29352418988278 5706137 CC1=CC=C(C2=CC=CC=C12)C3=CC=C(O3)C(=O)NCC4=CC=CC=C4 1 5.221 1 2 -3.01028543300981 5705988 CC1=CC(=O)N=C2N1NC(=C2NN=C3C=CC(=O)C=C3)N 1 -0.997 6 2 0 -5.34290464866251 5705811 C1=CC=C(C=C1)C2=CC(=O)N=C3N2NC(=C3NN=C4C=CC(=O)C=C4)N 1 0.237 6 2 0 -2.51918789261637 5705794 C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CN=CC=C3)/C#N 1 2.426 4 0 -1.10105691580991 5705712 C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C(=O)C3=CC=CC=C3 1 4.907 0 2 4.52597631151933 5704220 CC1=C(C(=NO1)C2=C(C=C(C=C2)Cl)Cl)C(=O)/C=C/N(C)C 1 3.599 2 2 -2.19271352057296 5704195 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)/C=C/N(C)C 1 2.271 2 2 -3.66562305759067 5704122 CC1=CC(=NO1)/C(=N/OC(=O)NC2=CC=C(C=C2)Cl)/N 1 1.987 4 3 0 -1.43120903034273 5704007 CC1=NC(=CS1)C(=O)NN/C=C\2/C(=CN=N2)Br 1 0.329 5 1 0 -8.31276241177611 5704005 C1=CC(=CC=C1C(=O)ON/C(=C\2/C(=CN=N2)Br)/N)Cl 1 2.09 4 2 -0.835850168372712 5704003 C1=CC(=CC=C1C(=O)ON/C(=C\2/C=CN=N2)/N)Cl 1 1.637 4 2 0 -2.06634587906107 5704002 C1=CC=C(C=C1)C(=O)ON/C(=C\2/C=CN=N2)/N 1 0.973 4 2 0 -4.68399213715724 5704001 CN(C)/C=C/C(=O)C1=NN(C=CC1=O)C2=CC=C(C=C2)F 1 1.908 3 2 0 -1.51575206156045 5703976 CC1=C(SC(=N1)COC2=CC(=CC=C2)Cl)C(=O)/C=C/N(C)C 1 3.178 2 2 -0.455483475597879 5703889 CC1=C(/C(=C\2/C(=NNS2)C)/N=N1)C(=O)OC 1 0.834 4 2 0 -10.0834596339976 5703653 C/C=C/C(=O)NC1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 2.321 5 1 1.55223429586911 5703613 CN1CCN(CC1)C2=CC=CC=C2/C=C/3\C4=CC=CC=C4NC3=O 1 2.85 3 1 1.21519021073672 5703533 CC1=CC=C(C=C1)NNC2=C3C=C(C=CC3=NC2=O)F 1 2.277 3 1 -1.10722915610326 5703532 C1=CC=C(C=C1)NNC2=C3C=C(C=CC3=NC2=O)F 1 1.791 3 1 0 -1.26388329447661 5703517 CC1=CC(=C(N1)/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2)C 1 3 2 2 -8.58747485992476 5703451 COC1=CC(=CC(=C1OC)OC)/C=C/C2=NNC(=O)CC2 1 1.458 2 4 0 -10.3388051908018 5703458 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/COC2 1 3.539 0 8 0 -3.17718865193338 5703486 COC1=C(C=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/COC2)O 1 3.121 0 6 2.0397730302187 5703437 C/C=C(\C)/C(=O)N1CCC(CC1)C(=O)C2=CC=CC=C2 1 3.002 1 2 -5.96237708793256 5703420 C/C=C(\C)/C(=O)NNC(=O)C1=C(N=C(S1)C2=CC=CC=C2)C 1 2.708 3 2 -4.37174572904764 5703394 CCOC\1=CC(=CN/C1=C(/N)\N=O)C(F)(F)F 1 0.611 3 2 0 -2.91996229214536 5703330 CS(=O)(=O)/C(=C/C1=CC=CN1S(=O)(=O)C2=CC=CC=C2)/C#N 1 2.149 2 4 -9.10503432917805 5703328 COC(=O)/C(=C/C1=C(N=C2N1CCS2)C3=CC=CC=C3)/C#N 1 3.225 3 2 -5.47289352482616 5703327 CS(=O)(=O)/C(=C/C1=C(N=C2N1CCS2)C3=CC=CC=C3)/C#N 1 2.64 3 2 -4.06337578317345 5703293 CSC1=C(C=CS1)/C=C(/C#N)\C(=O)C2=CC=CO2 1 3.264 1 2 -8.16389628240248 5703256 CC(=O)N/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O 1 1.416 1 3 0 -6.98480687293977 5703255 CC(=O)N/C(=C\C1=CC(=C(C(=C1)OC)OC)OC)/C(=O)O 1 0.703 1 6 0 -12.1157313098952 5703249 CC\1=NN(C(=O)/C1=N/NC2=CC=C(C=C2)S(=O)(=O)C)C 1 0.773 4 3 0 -10.7766205624562 5703232 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N/C=C/2\C=CC(=O)C=C2O 1 2.435 3 2 2.60559950010109 5703185 C1/C(=C/C2=CC=C(C=C2)C(F)(F)F)/C(=O)C3=C(S1)SC=C3 1 4.686 0 1 2.57621071979032 5703184 C1/C(=C\C2=CC(=CC=C2)Cl)/C(=O)C3=C(S1)SC=C3 1 4.408 0 1 1.62614490049862 5703135 CC(C)(C)S(=O)(=O)/C(=C/C1=C(C=CS1)C2OCCO2)/C#N 1 1.983 1 4 0 -7.8974249251241 5703066 C1=CC=NC(=C1)S(=O)(=O)/C(=C/C2=CC(=C(C=C2)F)Cl)/C#N 1 3.241 2 2 -3.66183941992551 5703047 C1=CC=NC(=C1)S(=O)(=O)/C(=C/C2=C(C=C(C=C2)F)F)/C#N 1 2.783 2 2 -2.73645667025059 5702998 CN1C2/C(=C\C3=CC=C(C=C3)F)/C(=O)/C(=C/C4=CC=C(C=C4)F)/C1CC2 1 4.837 1 1 3.03734393332965 5702992 C1=CC=C2C(=C1)/C(=C/C3=CC=NC4=CC=CC=C34)/C(=O)N2 1 2.917 2 1 -1.2974042367124 5702967 C1/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)C3=C(S1)C=CC(=C3)Cl 1 4.516 1 3 0.769067151986656 5702920 COC1=CC=CC=C1CNC(=O)/C=C/C(=O)O 1 1.184 1 4 0 -8.38358504496752 5702914 COC1=CC=C(C=C1)CNC(=O)/C=C/C(=O)O 1 1.184 1 4 0 -6.26932721390161 5702759 CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C.[I-] I- 1 5.423 2 0 8.38158723799609 5702699 CCN\1C2=CC=CC=C2S/C1=C\C=C\C=C\C=C\C3=[N+](C4=CC=CC=C4S3)CC.[I-] I- 1 7.508 2 0 28.9297119948789 5702697 CCN\1C2=CC=CC=C2S/C1=C\C=C\C=C\C3=[N+](C4=CC=CC=C4S3)CC.[I-] I- 1 7.041 2 0 28.9297119948789 5702484 C1=CC(=C(C(=C1NC(=O)/C=C\C(=O)O)F)F)F 1 1.81 1 3 0 -3.8005682602344 5702481 CC1=CC=C(O1)/C=C/2\CCC3=C(C2=O)C=CC(=C3)OC 1 3.787 0 3 3.55079050826523 5702471 C1C/C(=C\C2=CC=NC=C2)/C(=O)C3=CC=CC=C31 1 3.112 1 1 2.59619903212936 5702393 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)/C=C\C(=O)O 1 2.06 2 5 0 -5.31922424936279 5702387 COC1=CC(=C(C=C1)NC(=O)/C=C/C(=O)O)[N+](=O)[O-] 1 1.071 2 6 0 -6.14556361002487 5702338 C1=CC(=C(C=C1NC(=O)/C=C/C(=O)O)C(=O)O)Cl 1 1.488 1 5 0 -6.88033263339082 5702253 C1CNCC2=C1C(=O)NO2.Cl Cl- 1 -1.144 2 2 0 -6.15865706425797 5702238 CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-] Cl- 1 5.307 1 2 -6.88398057965442 5702161 CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O.Br Br- 1 2.413 1 4 5.18280082057043 5702094 CC(=O)O[C@]1(CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@H]34)C)C#C 1 4.694 0 3 -10.908701287172 5702093 C[C@]12CCC3[C@H]4CCC(=O)C=C4CCC3C1CC[C@]2(C#C)O 1 4.315 0 2 -8.02744707132499 5701804 CC1=CC=CC=C1C2=CC=C(O2)C(=O)NC3=CC(=CC=C3)F 1 4.511 1 2 3.36172391580546 5701802 CCN(CC)C1=CC(=O)/C(=C/NC2=C(C3=C(S2)N4CCC3CC4)C#N)/C=C1 1 2.891 4 1 -7.58845929375593 5701640 CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC)C3=CC=CS3 1 3.312 3 4 0 -14.8980637379984 5701589 C1=CC(=CC=C1C(=O)NNC(=O)CSC2=NN=C(S2)N)[N+](=O)[O-] 1 0.428 6 4 0 -17.8214443380832 5701540 CC(C)(C)NC(=O)NC(=O)CN1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.715 5 2 0 -5.91866756436775 5701539 CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.817 3 5 0 -32.6587835541185 5698111 CC(C)(C)NN/C=C\1/C2=CC=CC=C2C(=O)N(C1=O)C3=NC=C(C=C3)Cl 1 2.292 4 2 -1.58168964633602 5698092 CC1CCC2=C(C1)SC3=NC(=NC(=C23)NC4=CC=C(C=C4)OC)CN5CCOCC5 1 4.469 4 2 -8.32742232261549 5697313 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)OC 1 1.534 3 4 0 -16.6661959346956 5697191 COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 3.448 3 5 0 -4.92714445507999 5695943 CC1=C(C=C(C=C1)C(=O)NNC(=O)C2=C(OC(=C2)C)C)[N+](=O)[O-] 1 1.646 3 5 0 -12.054315525814 5695835 CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.593 4 7 0 -18.7096155079785 5695521 COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.571 7 5 0 -25.2293447719302 5695514 CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.074 7 4 0 -24.816378562786 5695490 C1=CC(=CC=C1C(=O)NNC(=O)CSC2=NN=NN2C3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 2.252 7 4 0 -22.9943798721992 5695479 CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.057 7 5 0 -25.4582478756849 5695422 COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.414 3 5 0 -8.29091138369928 5694352 C1=CC=C(C=C1)CNC(=O)COC2=C(N=CC=C2)[N+](=O)[O-] 1 1.739 3 4 0 -11.9599465507577 5694308 CC1CCN(CC1)C(=O)COC2=C(N=C(C=C2)C)[N+](=O)[O-] 1 1.813 3 4 0 -12.4173594943372 5694301 CCC1=CC=CC=C1NC(=O)CN(C)C(=O)COC2=C(N=C(C=C2)C)[N+](=O)[O-] 1 2.223 4 5 0 -15.8618080086843 5694299 CC1=NC(=C(C=C1)OCC(=O)NCC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-] 1 1.28 4 5 0 -13.1494820102274 5694239 CC1=NC(=C(C=C1)OCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-] 1 2.022 3 4 0 -12.588787399625 5694222 CC1=NC(=C(C=C1)OCC(=O)NCCC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 2.327 3 5 0 -11.5243422434887 5694052 COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N 1 3.215 3 5 0 -6.87909569730647 5694035 CC1=CC(=NC2=NC(=NN12)SCC3=CC(=O)OC4=C3C=CC(=C4)O)C 1 3.24 4 3 0 -10.6102098013717 5693817 CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(ON=C3C)C)O 1 2.881 1 6 0 -10.2899806241304 5693081 CN(C)CCN/C=C/1\C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=CC=C3 1 2.017 3 2 -5.42602851890119 5693111 CC(C)(C)C1=NN=C2N(C1=O)N=C(S2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N 1 4.476 7 2 0 -12.9217199758734 5693065 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3/C(=C/NC4=NC=NN4)/C2=O 1 1.562 5 2 0 -6.40250170774283 5692680 CC(C)OCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N 1 3.941 3 5 0 -7.90654080530133 5692638 C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl)N2 1 3.11 4 4 0 -20.3050362140478 5691857 COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=CC(=C(C=C45)O)O 1 4.926 2 6 0 -18.113158403453 5691932 C1CN(C2=CC=CC=C21)CC3=CC(=O)OC4=C3C=CC(=C4)O 1 3.438 1 3 -8.06220827793739 5691098 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)Cl 1 2.285 4 6 0 -26.7921253421359 5690790 CC1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)N=C(C=C3C)C 1 4.257 3 1 -10.545829177131 5690702 C1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=CC=C2)/NC3=NC4=CC=CC=C4S3 1 4.652 3 2 -7.52995069368129 5690367 CCOC(=O)CC1=CSC(=N1)SCC2=CC(=O)OC3=C2C=CC(=C3)O 1 3.407 1 5 -13.6326282746577 5690558 C1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=C(C=C2)F)/NC3=NC4=CC=CC=C4S3 1 4.857 3 2 -5.62903256693163 5690551 CC1=CC2=C(C=C1)N=C(S2)N/C(=N/S(=O)(=O)C3=CC=C(C=C3)F)/C4=CC=CC=C4 1 5.343 3 2 -4.73465991379525 5689920 C1=CSC(=C1)C2=CSC3=C2C(=O)NC(=C4C=CC(=O)C=C4)N3 1 2.993 2 2 -4.51651249890295 5690275 CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C/NNC4=NC(=O)C(=NN4)C)/C2=O 1 1.274 6 4 0 -10.9796069603872 5690274 CC1=NNC(=NC1=O)NN/C=C\2/C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC(=C4)C(F)(F)F 1 1.884 6 3 0 -4.76165517639569 5690249 COC1=CC(=C(C=C1)/C=C/C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC 1 2.166 1 7 0 -8.49852912257887 5689808 CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)O 1 3.699 3 3 -12.5908875229323 5689963 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3=CC(=O)OC4=CC(=C(C=C34)O)O 1 3.292 2 8 0 -12.0524258537135 5689510 C1CCC2(CC1)C3=C(CCCC3)N4C(=N2)N=CN4 1 1.987 4 0 0 -3.68314725102547 5688359 C1=CC(=O)C=CC1=C2C3=C(C=CC(=C3)Cl)NO2 1 2.692 1 2 1.3354391889062 5688424 C1CN(CCN1CC2=CC(=O)OC3=C2C=CC(=C3)O)S(=O)(=O)/C=C/C4=CC=CC=C4 1 2.217 2 5 0 -4.59916900799707 5688422 C1CN(CCN1CC2=CC(=O)OC3=C2C=CC(=C3)O)S(=O)(=O)C4=CC5=C(C=C4)OCCO5 1 2.061 2 7 0 -18.2561176243443 5688097 CCC1=CC=C(C=C1)NC(=O)/C(=C/C2=C(N=C3C=C(C=CC3=C2)C)N4CCOCC4)/C#N 1 4.925 4 2 -9.52062549294773 5688173 CC1=C(C2=CC=CC=C2N1)/C=C\3/C(=O)OC(=N3)C4=CC=C(C=C4)C(F)(F)F 1 4.694 2 2 -3.28015212937399 5687982 C1=CC=C(C(=C1)C(=O)OCC(=O)/C(=C\2/NC3=CC=CC=C3S2)/C#N)O 1 3.307 2 4 -5.90987082267669 5687329 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CCN1C(=O)/C(=C/NC2=CC=C(C=C2)S(=O)(=O)N)/C(=O)NC1=S 1 0.364 4 4 0 -10.4897761699967 5647031 C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=CN3)/C(=O)NC2=O)Cl 1 2.703 3 3 -1.49259592772827 5646668 C1=CC=C(C(=C1)CN2C(=O)/C(=C/NC3=CC=C(C=C3)F)/C(=O)NC2=O)Cl 1 2.865 3 3 -4.92324745391239 5646641 CN1C(=O)/C(=C/NC2CCCCC2)/C(=O)NC1=S 1 1.314 3 2 0 -1.57716415190203 5646504 C/C(=C/C1=CC=CC=C1)/C(=O)N2CCC(CC2)C(=O)OC 1 2.485 1 3 -9.17777758340204 5646255 CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)/N=C(\N)/NC3=C(C=CC(=C3)Cl)OC 1 3.503 5 2 0 -7.01794998816586 5646019 CC1=C(C2=CC=CC=C2N1)/C=C\3/C(=O)OC(=N3)C4=CC=C(C=C4)F 1 3.957 2 2 -6.16404199124104 5645776 COC1=CC=CC=C1N/C(=N/S(=O)(=O)C2=CC=C(C=C2)Cl)/C3=CC=CC=C3 1 4.674 2 3 -10.8448940586065 5645216 CCN1C(=O)/C(=C/NC2=CC=CC=C2)/N(C1=S)C3=CC=CC=C3 1 3.934 3 1 -4.19705696308158 5645022 CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)O 1 3.959 0 3 -2.40395928365601 5644690 CN1C(=O)C(=CNC2=CC=C(C=C2)C(=O)OC)C(=O)N(C1=O)C 1 0.472 3 5 0 -12.5186026167746 5644829 CC\1=NN(C(=O)/C1=C/NCCC2=CNC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.614 5 3 0 -11.5903160587267 5644611 C1=COC(=C1)/C=C/C(=O)NCC2=CC=C(C=C2)F 1 2.69 1 2 -5.29206296346058 5643743 CC1=CC(=NC2=NN=C(N12)SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)C 1 2.999 7 1 0 -17.7819241258046 5642410 CCC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC(=C(C=C3)C)C)N4CCCC4 1 5.656 2 2 -1.58973983305627 5641628 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC=C3C(=O)NC(=O)NC3=O 1 1.609 3 4 0 -11.0364354684033 5641627 CN1C(=O)C(=CNC2=CC=CC=C2C(=O)C3=CC=CC=C3)C(=O)N(C1=O)C 1 2.021 3 4 0 -11.6464827563403 5641514 COC1=C(C=C(C=C1)[N+](=O)[O-])N/C(=N/S(=O)(=O)C2=CC=CC=C2)/C3=CC=CC=C3 1 3.904 3 5 0 -14.6818409037641 5641185 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NNC2=CC(=O)N(C(=O)N2C)C 1 0.754 5 5 0 -13.3109516590403 5640523 CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCC5(CC4)OCCO5 1 4.164 2 5 0 -8.2875388181832 5640410 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C(=N/S(=O)(=O)C3=CC=CC=C3)/C4=CC=C(C=C4)Cl 1 3.783 4 3 0 -18.4789479419392 5640244 CC1=CC=C(C=C1)C(=O)C2=CN=C3C=CC(=CC3=C2N4CCCCC4)OC 1 4.969 2 2 1.4960366809835 5640242 CCC1=CC2=C(C(=CN=C2C=C1)C(=O)C3=CC=CC=C3)N4CCC(CC4)C(=O)OCC 1 5.201 2 3 0.750938929773617 5640241 CCC1=CC2=C(C(=CN=C2C=C1)C(=O)C3=CC=CC=C3)N4CCOCC4 1 4.212 2 2 0.837783348698978 5640183 C1COCCN1C2=C3C=C(C=CC3=NC=C2C(=O)C4=CC=CC=C4)Cl 1 3.934 2 2 1.49660647998651 5640144 CCC1=CC=C(C=C1)C(=O)C2=CN=C3C=CC(=CC3=C2N4CCN(CC4)CC)OC 1 4.814 3 2 2.84764734097436 5639929 CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC=C(C=C3)F)O 1 5.437 0 5 -6.77267670435805 5640093 CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCC5(CC4)OCCO5 1 3.678 2 5 0 -9.18354845741936 5640085 COC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCC5(CC4)OCCO5 1 3.329 2 5 0 -8.08444578774699 5639838 CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)O 1 6.101 0 5 -6.86801438775587 5639798 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(C=C(C=C3)O)OC2=O)C 1 3.437 0 5 -4.4298390662225 5639796 C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C(C=C3)O)OC2=O 1 2.464 0 5 -5.38903620345532 5639514 CCOC1=CC2=C(C=C1)N=C(S2)NN=C3C(=O)NC(=O)NC3=O 1 0.974 5 4 0 -8.5557356637547 5639072 CC1=NC(=CC=C1)N/C=C\2/C(=O)C=C(OC2=O)C 1 1.204 2 3 0 -3.81910188324192 5638819 C1CN(CCN1CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C=CC(=C4)O 1 3.232 2 3 0.351154806183452 5638671 COC1=CC=CC(=C1)N/N=C/2\C=CC3=C(C2=O)N=CC=C3 1 2.869 3 2 1.87527752329436 5638559 COC1=CC2=C(C=C1)N=C(S2)N/C(=N/S(=O)(=O)C3=CC=CS3)/C4=CC=CC=C4Cl 1 5.086 3 3 -6.64948802073801 5638194 C1=CC=C2C(=C1)C(=CN2)CC(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N 1 3.144 4 3 0 -11.5607216884546 5638060 C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)C3=C(N=CC=C3)Cl)N2 1 2.539 4 3 0 -10.2744074832077 5638151 COC1=C(C=C(C=C1)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)S(=O)(=O)N4CCOCC4 1 1.604 4 7 0 -28.319903551159 5637963 CCOC(=O)/C(=C/C1=CC2=CC=CC=C2N=C1N3CCCCC3)/C#N 1 3.525 3 2 -5.27686843401586 5637473 CCOC(=O)CC1=CSC(=N1)N/C(=N/S(=O)(=O)C2=CC=C(C=C2)Cl)/C3=CC=CC=C3 1 4.355 3 4 0 -13.6763737748451 5637091 C1=CC=C(C=C1)C2=C(NNC2=C3N=C4C=CC=CC4=N3)C5=CC=CO5 1 2.619 4 1 1.68994041658385e-002 5637127 CN1CCC2(CC1)C3=C(CCN(C3)C)N4C(=N2)N=C(N4)SCC5=CC=C(C=C5)Cl 1 2.279 6 0 -2.21256274474926 5636860 COC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5 1 4.886 5 2 0 9.83113021128782 5636759 CN(C)C1=CC=CC(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O 1 3.219 1 5 -9.03454590683693 5636730 COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)O 1 5.168 2 5 0 -17.9716134311175 5636346 CSC1=NC(=O)C2=C(N1)N=C(C=C2C(F)(F)F)C3=CC=CS3 1 4.261 3 1 -4.46749299961564 5636299 CC1=C(C=CO1)C2=C(C(=C3N=C4C=CC=CC4=N3)NN2)C5=CC=CC=C5 1 2.474 4 1 -1.65066829338115 5636191 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C 1 3.624 3 4 0 -11.6495121268974 5636055 CCN(CC)C1=CC=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O 1 3.916 1 5 -9.34871523982909 5635472 C1COC2=C(O1)C=CC(=C2)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N 1 2.602 3 5 0 -15.2925893400723 5635159 CC1=C(C=C/C(=C/2\C(=C(NO2)C)C3=CN(N=C3)C4=CC=CC=C4)/C1=O)OC 1 2.291 3 3 -0.177864816540462 5634955 COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N 1 5.381 6 2 0 -16.9240142834006 5634603 C1CN(CCN1C2=CC=CC=N2)C(=O)/C=C/C3=CN(N=C3C4=CC(=CC=C4)Cl)C5=CC=CC=C5 1 5.567 5 1 13.4780624838178 5633498 C1CCC(CC1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Br 1 3.819 1 3 -6.01510328287964 5630633 CCCCCCN1C(=O)/C(=C/NCCN2CCOCC2)/C(=O)NC1=O 1 0.624 4 4 0 -12.9484734447136 5630624 CC(C)C1=CC=C(C=C1)N2C(=O)/C(=C/NNC(=O)C3=CC=CC=C3O)/C(=O)NC2=S 1 2.746 4 4 0 -1.01330689992221 5630726 CC1=CC(=CC=C1)NC(=S)/N=C(\N)/NC2=NC3=C(C=C(C=C3)C)C(=N2)C 1 5.063 6 0 1.03960684961279 5630492 CCCCCCN1C(=O)/C(=C/NC2=CC=CC=C2N3CCOCC3)/C(=O)NC1=S 1 3.401 4 3 0 -7.0084047407001 5630482 C1=CC=C(C=C1)N2C(=O)/C(=C/NCC3=CC=CC=N3)/C(=O)NC2=S 1 1.68 4 2 0 -6.52622424996948 5630167 C1CCN(CC1)N/C=C/2\C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F 1 1.804 4 2 0 -2.07362350993628 5630271 C1=CC=C(C=C1)N/C=C/C(=O)C(F)(F)F 1 2.457 1 1 -2.38990542837335 5629536 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NN=C4C(=O)NC(=S)NC4=O 1 2.321 5 4 0 -23.3377715426527 5629088 COC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.916 2 3 -5.14881314632528 5626807 CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=C(C=C3)C)OC 1 4.386 2 5 0 -12.9620197587716 5626673 C1=CC2=C(C=C1Br)C(=CN2)/C=C\3/C(=O)NC(=O)N3 1 1.778 3 2 0 -2.65971418273213 5626555 CC1=C(C=C2C(=N1)N=C(N2)SCC3=NC4=CC=CC=C4N3)Br 1 3.797 5 0 -4.94498622029835 5626411 CC(=C)COC1=CC(=O)/C(=C\2/C(=CN=C(N2)N)C3=CC=C(C=C3)Br)/C=C1 1 2.781 3 2 -6.43876773091089 5626145 CC1=C(C=C2C(=N1)N=C(N2)SCC(=C)C)Br 1 3.568 3 0 -5.96393821285806 5626008 CC1=CC(=O)/C(=C/2\C=C(NN2)C(=O)NC3=CC=C(C=C3)NC(=O)C)/C=C1 1 0.181 4 3 0 -9.4177472901985 5626220 CC1=CC(=CC=C1)OC2=N/C(=C/3\C=CC=C(C3=O)OC)/NC4=CC=CC=C42 1 4.394 2 3 -0.934640359973326 5625901 CC1=C(C=C(C=C1)NC(=O)C2=C/C(=C\3/C=C(C(=CC3=O)C)C)/NN2)C 1 2.48 3 2 -4.81576516016918 5625527 CC1=C(C(=O)/C(=C/2\C=C(NN2)C(=O)NC3=CC=C(C=C3)NC(=O)C)/C=C1)C 1 0.628 4 3 0 -7.99469235915564 5625279 C1=CC=C2C(=C1)/C(=C/NCCO)/C(=O)N2 1 -0.322 2 2 0 -7.69535153865061 5625113 CCOC1=CC(=O)/C(=C\2/C(=C(NC(=N2)N)C)C3=CC=C(C=C3)Cl)/C=C1 1 2.497 3 2 -5.31731126050346 5625022 C1=CC=C2C=C(C=CC2=C1)N3C(=O)/C(=C/C4=NC5=CC=CC=C5N4)/SC3=S 1 5.454 3 1 -0.144832294574058 5624749 CC1=CC(=C(C=C1)N/C(=N/C2=NC(=O)C=C(N2)C)/N)C 1 2.146 5 1 -13.1076341161912 5624787 CC1=C(C(=O)/C(=C/2\C=C(NN2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)/C=C1)C 1 1.803 3 4 0 -11.4294936320385 5624444 CCN(CC)C1=CC=C(C=C1)N2C(=O)/C(=C/C3=NC4=CC=CC=C4N3)/SC2=S 1 5.405 4 1 -6.91181179948432 5624579 CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCC3)OC4=CC(=CC=C4)OC 1 3.442 1 5 7.39218949510176 5624027 CN1C(=O)C(=C(NCC=C)SCC(=O)C2=CC=C(C=C2)Cl)C(=O)N(C1=O)C 1 2.523 3 4 0 -12.9761116686169 5623770 COC1=CC(=O)/C(=C\2/C(=CN=C(N2)N)C3=CC=CC=C3OC)/C=C1 1 0.953 3 3 0 -6.37917654902781 5623626 C[C@@H](C(=O)OC)NC(=O)NCC1=CC=CC=C1 1 1.144 2 3 0 -13.4444878062553 5623509 CCNC(=S)NCCC1=C(NC2=CC=CC=C21)C=C3C(=O)N(C(=O)N(C3=O)C)C 1 2.942 5 3 0 -13.5645385230866 5622697 CCCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CN3CCCC3 1 4.671 1 3 1.1000481042775 5622157 CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN(CC)CC)O 1 3.909 1 6 0 -3.70280373530947 5622132 CC1=CC=C(C=C1)N2C(=O)/C(=C/NCCN3CCN(CC3)C(=O)C)/C(=O)NC2=S 1 0.874 5 3 0 -9.60314163604353 5622046 CC1=CC=CC=C1OCCNC=C2C(=O)N(C(=O)N(C2=O)C)C 1 0.881 3 4 0 -9.9768667944299 5621198 CCOC(=O)C1=CC=C(C=C1)OC\2=CNN/C2=C/3\C=CC(=CC3=O)OCC(=O)NN 1 -0.882 4 6 0 -11.6656592993497 5620224 CN1C(=O)C(=CC2=C(C3=CC=CC=C3N2)CCNC(=S)NC4CC4)C(=O)N(C1=O)C 1 3.083 5 3 0 -15.2013278211933 5620316 C1CCCN(CC1)N/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43 1 2.058 4 3 0 -1.79483448037831 5620126 CC(=C)COC1=CC(=O)/C(=C\2/C(=CN=CN2)C3=CC=CC=C3)/C=C1 1 2.164 2 2 -6.29758622605679 5619879 CCCCCCC(=O)NN/C=C\1/C(=O)NC(=S)N(C1=O)C2CC2 1 1.535 4 3 0 -13.0770643313752 5619754 CCOC1=CC(=O)/C(=C\2/C(=CN=C(N2)N)C3=CC=C(C=C3)Cl)/C=C1 1 1.983 3 2 0 -1.7357354548172 5619529 CC1=C(/C(=C/2\C=CC(=CC2=O)OCC(=C)C)/NN1)C3=CC=C(C=C3)Br 1 3.092 2 2 -8.17779536473675 5619250 CC1=C(C=C(C=C1)N2C(=O)/C(=C/NN3CCCCCC3)/C(=O)NC2=O)C 1 2.122 4 3 0 -4.0495868830677 5619181 CC(=C)COC1=CC(=O)/C(=C\2/C(=CN=CN2)C3=CC=C(C=C3)Cl)/C=C1 1 2.829 2 2 -4.00107111915477 5619172 COC1=CC(=O)/C(=C\2/C(=CN=CN2)C3=CC=C(C=C3)Cl)/C=C1 1 1.765 2 2 0 -0.138086485093553 5618794 CCCCC(=O)NN/C=C\1/C(=O)NC(=O)N(C1=O)CCC2=CCCCC2 1 1.561 4 4 0 -15.1822048485295 5618635 CC1=C(/C(=C/2\C=CC(=CC2=O)OCC(=C)C)/N=C(N1)N)C3=CC=C(C=C3)OC 1 2.53 3 3 -10.7276057425916 5618371 C1=CC=C(C(=C1)CN2C(=O)/C(=C\3/C4=CC=CC=C4NC3=O)/SC2=S)Cl 1 4.21 2 2 -9.61233258443933 5618332 CC1=CC=C(C=C1)N/C(=N/C2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)C)/N 1 3.987 5 1 -8.27196338606317 5618021 COC1=CC2=C(C=C1)N=C(S2)N3C(=O)/C(=C/C4=CC=CC=C4)/NC3=S 1 4.222 3 2 -1.80216216921452 5617938 COC1=CC2=C(C=C1)N=C(S2)N3C(=O)/C(=C/C4=CC=C(C=C4)Cl)/NC3=S 1 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CC1=CC(=CC=C1)N2C(=O)/C(=C/NCCN3CCNCC3)/C(=O)NC2=S 1 1.079 5 2 0 -7.77812802630902 5545047 CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C(=O)OCC)O 1 4.589 0 5 -9.24908102079709 5544790 C1=CC=C(C=C1)CN2C(=O)/C(=C/NNC(=O)C3=CC=NC=C3)/C(=O)NC2=O 1 -0.248 5 4 0 -7.57319039733352 5544029 C1=CC=C(C=C1)NC2=NC(=O)/C(=C/C3=CNC4=CC=CC=C43)/S2 1 4.072 3 1 -0.754749886688124 5543950 CCCCN(C)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3OC)O 1 4.01 1 4 3.14726882018107 5543869 CC1=CC2=C(C=C1)C(=NC(=N2)N/C(=N/C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)/N)C 1 5.276 6 1 0 3.43412108110427 5543863 C1CCN(CC1)CCN/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=CC=C3Cl 1 1.853 4 3 0 -5.53476073748331 5543815 C1CN(CCN1)CCN/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC=C3 1 0.592 5 2 0 -9.92319400604364 5543786 CN1C(=O)/C(=C/NC2CCN(CC2)CC3=CC=CC=C3)/C(=O)NC1=O 1 0.251 4 3 0 2.59452659671169 5543668 CCCCN(CC)CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)O 1 4.386 1 3 -1.87611517300551 5543429 CN1C(=O)/C(=C/NNC(=O)C2=CC=NC=C2)/C(=O)NC1=S 1 -0.933 5 3 0 -6.05288272166568 5543397 CC1=CC\2=C(C=C1)NC(=O)/C2=C/3\C(=O)N=C(S3)N(C)C4=CC=C(C=C4)O 1 3.144 3 3 -4.14334572712743 5543378 CC1=CC2=C(C=C1)N=C(N=C2C)N/C(=N/C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)/N 1 5.276 6 1 0 3.00780740682887 5543213 CN1C(=O)C(=CNCCN2CCOCC2)C(=O)N(C1=S)C 1 -0.512 4 3 0 -9.33425681006789 5543001 C1=CC2=C(C=C1Br)/C(=C\3/C(=O)NC(=O)S3)/C(=O)N2 1 1.605 2 3 0 -1.66179313287672 5543154 COC1=C(C=CC(=C1)C(=O)NN2C(=O)/C(=C\3/C4=CC=CC=C4NC3=O)/SC2=S)O 1 2.537 3 5 0 -13.137912263044 5543083 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)OC 1 0.786 5 5 0 -12.9610130648474 5542762 CCOC1=CC=C(C=C1)N/C(=N/C2=NC(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4)/N 1 2.776 9 2 0 -24.7519835180141 5542728 C1=CC=C2C(=C1)C=CC=C2N/C(=N/C3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl)/N 1 4.588 5 1 -5.7911096647346 5542556 C1CCC(CC1)N2C(=O)/C(=C/NCCN3CCOCC3)/C(=O)NC2=S 1 1.14 4 3 0 -12.7744449030877 5541651 CCCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CN(CC)CC 1 4.908 1 3 -0.960958072190938 5541998 COC1=C(C=C(C=C1)CCN2C(=O)/C(=C/NC3=CC=CC=C3F)/C(=O)NC2=O)OC 1 2.489 3 5 0 -10.3462130179827 5541890 C1CCN(CC1)CCN/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl 1 1.853 4 3 0 -5.30207787688278 5541761 C1=CC=C(C=C1)CCNC=C2C(=O)NC(=O)NC2=O 1 0.255 3 3 0 -10.7606843749234 5541621 C=CCN1C(=O)/C(=C/NC2=CC=C(C=C2)CC3=CC=NC=C3)/C(=O)NC1=S 1 2.751 4 2 -10.5445698376792 5541376 C1CN(CCN1)CCN/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F 1 0.798 5 2 0 -9.33806168083662 5541361 CCOC(=O)/C=C\1/C(=O)SC2=CC=CC=C2N1 1 2.233 1 3 -3.02704011362256 5540661 C1=CC=C(C=C1)CC(=O)NN2C(=O)/C(=C/C3=CNC4=CC=CC=C43)/SC2=S 1 4.209 3 2 -4.86078715919578 5540343 CC1=C(C=C2C(=C1)C(=NC(=N2)N/C(=N/C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)/N)C)C 1 5.762 6 1 0 1.58740282435575 5540164 COC1=CC(=C(C=C1)N/C=C\2/C(=O)NC(=S)N(C2=O)CC3=CC=CC=C3)OC 1 2.861 3 4 0 -6.63401813976316 5540081 COC1=CC(=C(C=C1)OC)N/C=C\2/C(=O)NC(=S)N(C2=O)CC3=CC=CC=C3 1 2.861 3 4 0 -5.31204330580652 5539847 C1=CC=C2C(=C1)/C(=C\3/C(=O)N(C(=S)S3)C4=CC=C(C=C4)O)/C(=O)N2 1 3.296 2 3 -7.01396886399077 5539232 CC1=CC=C(C=C1)C(=O)/C=C\2/C(=O)OC3=CC=CC=C3N2 1 3.361 1 3 -2.63988670631713 5538801 C1=CC=C2C(=C1)C(=CN2)/C=C\3/C(=O)NC(=O)N3 1 1.03 3 2 0 -4.66826068005373 5538639 CCOC(=O)C1=CC2=C(O1)C=CC(=C2)C3=C(OC4=CC(=CC(=C4C3=O)O)O)C(=O)OCC 1 3.616 0 9 0 2.73602373345554 5538633 COC(=O)CSC1=C(C(=C2C=CC(=O)C=C2)C3=C(N1)CCCC3)C#N 1 2.699 2 3 -21.3122884163958 5536524 CC(=C1C=CC(=O)C=C1)NNC(=O)CSC2=NC3=CC=CC=C3O2 1 1.981 3 3 0 -6.99190849461921 5536216 CC1=CC=C(C=C1)CN2CCN(CC2)N/C=C/3\C=C(C=C(C3=O)Br)Br 1 2.819 3 1 3.16824834917566 5536140 COC1=CC=CC=C1N2CCN(CC2)NC=C3C=C(C(=O)C(=C3)OC)OC 1 0.876 3 4 0 2.13672140274974 5535958 C1CN(CCN1CC2=CC=CC=C2)N/C=C/3\C=C(C=C(C3=O)Br)Br 1 2.333 3 1 2.35343344439607 5535745 C1=CC=C(C=C1)OCC2=NNC(=S)N2N/C=C/3\C=C(C=CC3=O)Br 1 2.358 4 2 -7.18123215609464 5535669 C/C(=C\1/C=CC(=O)C(=C1)OC)/NNC(=O)CSC2=NC3=CC=CC=C3N2 1 1.659 4 3 0 -6.59350376450231 5535574 CN1C2=CC=CC=C2N=C1SCC(=O)NN/C=C\3/C=CC(=O)C(=C3)O 1 1.125 4 3 0 -7.75967151912798 5535011 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN/C=C\3/C=CC(=O)C(=C3)O 1 -0.119 4 5 0 -17.783238500505 5534997 COC1=CC(=CNN2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35)C=C(C1=O)OC 1 2.104 3 3 1.14280705419573 5534493 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC3=C4C=C(C=CC4=NC3=O)Br 1 1.786 6 2 0 -15.1384833606767 5534276 CC1=C2C(=O)C=CNC2=NC(=N1)C(Cl)(Cl)Cl 1 1.417 3 1 0 -4.50819485025853 5534187 C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NNC=C4C=CC(=O)C=C4 1 1.457 4 4 0 -0.207794136728611 5533449 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NN=C3C(=O)NC(=S)NC3=O 1 0.131 6 3 0 -16.9325236994942 5533417 C1OC2=C(O1)C=C(C=C2)NN=C3C(=O)NC(=S)NC3=O 1 1.32 4 4 0 -11.1732906352601 5533054 C1=CC=C2C(=C1)C(=O)/C(=C/NC3=CN=CC=C3)/C(=O)O2 1 1.454 2 3 0 -3.90327034730415 5533049 CC1=NC(=CC=C1)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O 1 2.276 2 3 -1.58016022849335 5533044 C1=CC=C2C(=C1)C(=O)/C(=C/NCC3=CC=CC=N3)/C(=O)O2 1 1.398 2 3 0 -6.4401895387144 5533041 C1=CC=C(C=C1)/C(=C\2/C3=CC=CC=C3C=CN2)/N=O 1 2.69 2 1 -2.84583610091299 5533035 CCOC(=O)C1=C(OC2=C1/C(=C/NC3=CC=CC=N3)/C(=O)C4=CC=CC=C42)C 1 3.343 2 4 -2.61209720118767 5533015 C1COCCN1C(=S)NNC=C2C=CC(=O)C=C2 1 0.778 3 2 0 -9.16519484884639 5532983 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C(=C/C(=O)C)/C 1 0.697 3 2 0 -12.367205285743 5532792 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CO3 1 1.964 4 4 0 -13.0930435147123 5532602 COC1=C(C=C(C=C1)C(=O)NN/C=C/2\C=C(C=CC2=O)Br)OC 1 1.426 2 4 0 -9.58996074890736 5531279 COC1=C(C=C(C=C1)CCN2C(=O)/C(=C\C3=CC=CO3)/SC2=S)OC 1 4.314 1 4 -8.91687293390249 5530131 C1=CC=C2C(=C1)C(=CN2)/C=C\3/C(=O)N=C(S3)NC4=C(C=C(C=C4)Cl)Cl 1 5.401 3 1 3.49289165251627 5530129 C1=CC=C2C(=C1)C(=CN2)/C=C\3/C(=O)N=C(S3)NC4=CC=C(C=C4)F 1 4.278 3 1 0.282194274162879 5529576 CCNC(=S)N/N=C\1/C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)Cl 1 4.115 4 1 -3.84836158444818 5529247 CCN=C1N(C(=O)/C(=C\C2=CC=C(O2)C3=C(C=C(C=C3)Cl)C(=O)O)/S1)CC 1 4.605 2 4 -2.58835827629017 5529236 C1=CC(=O)C=CC1=CNNC(=O)CC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 1.636 3 3 0 -1.26733851129942 5529021 C/C(=C\1/C=CC=CC1=O)/NNC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 1 3.252 3 2 -8.79737905392934 5528856 C1COC2=C(O1)C=CC(=C2)C(=O)NN/C=C/3\C=C(C(=C(C3=O)Br)O)Br 1 1.16 2 5 0 -6.80024990113175 5528598 CC1=C(C=CC(=C1)CCCC(=O)NN/C=C/2\C=CC=C(C2=O)OC)OC 1 2.111 2 4 -5.78664336528453 5528110 C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)N/C=C/4\C=C(C=CC4=O)[N+](=O)[O-] 1 3.282 4 3 0 1.51977101338149 5527691 C1=CC(=CC(=C1)Br)C(=O)NN/C=C/2\C=CC(=O)C3=C2C=CC=N3 1 2.093 3 2 -2.49237424649426 5526748 C=CCN1C(=O)/C(=C\C2=CC(=CC=C2)OC(=O)C3=CC=CO3)/SC1=S 1 4.491 1 4 -15.8819107391745 5526411 COC1=CC=C(C=C1)C2=CS/C(=C/3\C(=NC=N3)N)/N2 1 0.64 4 1 0 -1.70395314928007 5525432 CN1C(=O)C(=C(C2=CC=CC=C2)NCCC3=CNC4=CC=CC=C43)C(=O)N(C1=O)C 1 2.709 4 3 0 -13.7972803415455 5525417 C/C(=C\C(=O)C1=C(C=CS1)Cl)/N(C)C 1 2.856 1 1 -3.38050496288636 5525375 CC1=C(/C(=C/N(C)C)/C(=O)N1CCC2=CNC3=CC=CC=C32)C(=O)OC 1 1.91 3 3 0 -12.9821968758465 5525367 COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)N4CCOCC4)/C(=O)NC2=O 1 2.48 3 5 0 -4.19451175159939 5525299 CN1C(=O)/C(=C\NO)/C(=N1)C2=CC=CC=C2 1 0.354 3 2 0 -1.9880462194382 5525262 CC1=CC=C(C=C1)N/C(=C/2\C(=O)C3=CC=CC=C3N(S2(=O)=O)C)/S 1 3.138 2 3 0.26022618759317 5525255 CC1=C(C(=CC=C1)C)N/C(=C/2\C(=O)C3=CC=CC=C3N(S2(=O)=O)C)/O 1 3.022 2 4 -2.76452268187396 5525254 CC1=CC=C(C=C1)N/C(=C/2\C(=O)C3=CC=CC=C3N(S2(=O)=O)C)/O 1 2.536 2 4 -0.821768170763042 5525253 CC1=CC(=CC=C1)N/C(=C/2\C(=O)C3=CC=CC=C3N(S2(=O)=O)C)/O 1 2.536 2 4 0.968483156041309 5525248 CC1=CC=CC=C1N/C(=C/2\C(=O)C3=C(C=CS3)N(S2(=O)=O)C)/S 1 3.092 2 3 -5.13505160023519 5525245 CC1=CC=C(C=C1)N/C(=C/2\C(=O)C3=C(C=CS3)N(S2(=O)=O)C)/S 1 3.092 2 3 -2.83682756004701 5525243 CCN/C(=C/1\C(=O)C2=C(C=CS2)N(S1(=O)=O)C)/O 1 0.498 2 4 0 -6.78049426834624 5525231 C1=CC=C2C(=C1)N/C(=C\3/C=CC=NC3=O)/N2CC4=CC=C(C=C4)Cl 1 4.435 3 1 -2.51898419854896 5525230 CN\1C2=C(C=C(C=C2)Cl)N/C1=C\3/C=CC=NC3=O 1 2.852 3 1 -2.49728827287635 5525229 C1=CC=C(C=C1)CN\2C3=C(C=C(C=C3)Cl)N/C2=C\4/C=CC(=O)N=C4 1 4.435 3 1 -0.797064136310778 5525228 C1=CC=C(C=C1)CN\2C3=C(C=C(C=C3)Cl)N/C2=C\4/C=CC=NC4=O 1 4.435 3 1 -1.78302083693993 5525216 C1=CC(=CN=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/NC2=S 1 3.133 3 1 -1.05247059428702 5525182 CC1=C(/C(=C/N(C)C)/C(=O)N1)C(=O)OC 1 -0.494 2 3 0 -11.1868997384521 5525152 COC1=CC=C(C=C1)C2=C(C3=C(S2=O)C=C(C=C3)OC)OC4=CC=C(C=C4)OC 1 3.912 0 5 1.9039322938658 5525151 COC1=CC=C(C=C1)C2=C(C3=C(S2=O)C=C(C=C3)OC)OC4=CC=C(C=C4)F 1 4.134 0 4 3.4421282615486 5525092 C1=CC=C2C(=C1)/C(=C/NC3=CC=C(C=C3)F)/SC2=O 1 3.227 1 1 -1.80454406119537 5525089 CN(C)/C=C(/C(=O)C1=CC=CC=C1)\S(=O)(=O)C2=CC=CC=C2 1 2.531 1 3 -7.58690348772195 5525072 CN1C(=O)/C(=C\NC2=CC=C(C=C2)Br)/SC1=O 1 2.237 2 2 -3.64076349247421 5525055 C1=CC=C(C=C1)C\2=NOC(=O)/C2=C\NC3=CC=C(C=C3)Cl 1 3.392 2 2 2.58242793919727 5525053 C1=CC=C(C=C1)C\2=NNC(=O)/C2=C\NC3=CC=C(C=C3)C(F)(F)F 1 3.209 3 1 -3.92203073181775 5525045 C1=CC=C(C=C1)OC2=CC=C(C=C2)N/C=C/3\C=NNC3=O 1 2.075 3 2 -5.84911601270277 5525039 CC\1=NNC(=O)/C1=C/NCC2=CC(=CC=C2)C(F)(F)F 1 1.264 3 1 0 -6.75916108497001 5525038 C1=CC(=CC(=C1)C(F)(F)F)CN/C=C/2\C=NNC2=O 1 1.186 3 1 0 -4.8068215138488 5525005 C1=CC=C(C=C1)N/C=C/C(=O)C2=CC=C(C=C2)OC3=NC=CC=N3 1 3.345 3 2 -1.00463737836127 5525004 C1=CN=C(N=C1)OC2=CC=C(C=C2)C(=O)/C=C/NC3=CC=C(C=C3)F 1 3.551 3 2 -3.87119879978872e-002 5525003 C1=CC(=CC(=C1)N/C=C/C(=O)C2=CC=C(C=C2)OC3=NC=CC=N3)C(F)(F)F 1 4.288 3 2 3.13517104050811 5524996 CC1=CC2=C(C=C1C)N(/C(=C/3\C=CC(=O)N=C3)/N2)CC4=CC=CC=C4 1 4.743 3 1 -3.63683151866864 5524993 CCCN\1C2=C(C=C(C(=C2)C)C)N/C1=C\3/C=CC=NC3=O 1 4.032 3 1 -6.33053941056097 5524990 CC1=CC2=C(C=C1C)N(/C(=C/3\C=CC=NC3=O)/N2)CC4=CC=CC=C4F 1 4.949 3 1 -5.49196340940121 5524980 C1=CC=C(C=C1)S(=O)(=O)/C(=C/NC2=C(C=C(C=C2)F)F)/[N+](=O)[O-] 1 3.346 2 4 -3.90516500470685 5524977 C1=CC=C(C=C1)S(=O)(=O)/C(=C/NC2=CC=C(C=C2)Br)/[N+](=O)[O-] 1 3.683 2 4 -4.22943909301268 5524967 CN(C)C(=C(C#N)C#N)/C=C/NC1=CC=CC=C1OC 1 1.579 4 1 0 -5.84287919658824 5524966 CN(C)C(=C(C#N)C#N)/C=C/NC1=CC(=CC=C1)[N+](=O)[O-] 1 1.49 5 2 0 -7.05271608555341 5524964 CN(C)C(=C(C#N)C#N)/C=C/NC1=CC(=CC=C1)Br 1 2.344 4 0 -3.12652974970926 5524963 CN(C)C(=C(C#N)C#N)/C=C/NC1=CC=CC=C1F 1 1.801 4 0 0 -4.49134640541845 5524962 CC1=CC=CC=C1N/C=C/C(=C(C#N)C#N)N(C)C 1 2.081 4 0 -4.79279589617086 5524961 CC1=CC(=CC=C1)N/C=C/C(=C(C#N)C#N)N(C)C 1 2.081 4 0 -2.69760073486546 5524935 C1=CC=C(C(=C1)N/C=C/C2=C(C=C(C=N2)C(F)(F)F)Cl)Cl 1 4.706 2 0 4.92088488206215 5524868 CC\1=NNC(=O)/C1=C\NC2=CC=C(C=C2)OC 1 0.577 3 2 0 -8.97220597542509 5524862 C1=CC=C(C(=C1)N/C=C/2\C=NNC2=O)O 1 0.273 3 2 0 -4.78373172459683 5524861 C1=CC(=C(C=C1Cl)N/C=C/2\C=NNC2=O)O 1 0.937 3 2 0 -2.14525951531295 5524858 C1=CC(=C(C=C1Cl)Cl)N/C=C/2\C=NNC2=O 1 1.843 3 1 0 -5.38828872687461 5524857 COC1=CC=CC(=C1)N/C=C/2\C=NNC2=O 1 0.498 3 2 0 -8.0262984288686 5524844 C/C(=C\C(=O)C1=C(C=C(C=N1)C(F)(F)F)Cl)/N(C)C 1 3.122 2 1 2.46877788963258 5524836 CC1=C(/C(=C/N(C)C)/C(=O)N1CCC2=CC(=C(C=C2)OC)OC)C(=O)OC 1 1.584 2 5 0 -14.6882092940484 5524780 COC1=CC=C(C=C1)N/C=C/C(=O)C2=CC=C(C=C2)OC3=NC=CC=N3 1 3.329 3 3 -1.30883179380684 5524676 CC1=C/C(=C\2/C(=NN(C2=O)C3=CC=CC=C3)C)/N(N1)C4=CC=CC=C4 1 2.687 4 1 -6.2438188533942 5524647 C1=CC(=CC=C1CN/C=C/2\C=C(C=C(C2=O)Br)Br)F 1 2.939 1 1 -0.74758570830552 5524597 C1=CC=C(C=C1)N/C(=C/[N+](=O)[O-])/NN 1 0.594 4 2 0 -0.335519798710493 5524566 CCOC(=O)C1=CC(=NC2=C1C(=O)NC(=O)N2)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.998 4 6 0 -12.8383547994538 5524550 CC1=CC=C(C=C1)N/C=C/C(=O)C2=C(N=C(S2)C3=CC=CC=C3)C 1 4.484 2 1 1.05427052232168 5524501 CC(=O)/C(=C/NC1=CC=C(C=C1)OC2=CC=CC=C2)/C3=CC=CC=C3 1 4.408 1 2 -0.420655190306482 5524499 CC(=O)/C(=C/NC1=CC=C(C=C1)OC)/C2=CC=CC=C2 1 2.831 1 2 -2.27885322998303 5524488 C1=CC(=CC(=C1)N/C=C/2\C=NN(C2=O)C3=NC(=CC=C3)Cl)C(F)(F)F 1 3.501 4 1 0.340532929382806 5524487 C1=CC=C(C=C1)OC2=CC=C(C=C2)N/C=C/3\C=NN(C3=O)C4=NC(=CC=C4)Cl 1 4.119 4 2 -1.57798515087793 5524483 C1=CC(=NC(=C1)Cl)N2C(=O)/C(=C/NC3=CC=C(C=C3)Cl)/C=N2 1 3.224 4 1 -2.21298452786546 5524422 C1=CC(=O)C=CC1=C2NC(=CC=N2)C3=CC=C(C=C3)Br 1 3.082 2 1 -0.763844961245252 5524420 C1=CC(=O)C=CC1=C2NC(=CC=N2)C3=C(C=C(C=C3)Cl)Cl 1 3.662 2 1 1.84896953991538 5524419 COC1=CC=C(C=C1)C2=CC=NC(=C3C=CC(=O)C=C3)N2 1 2.317 2 2 -1.54215011587477 5524418 C1=CSC(=C1)C2=CC=NC(=C3C=CC(=O)C=C3)N2 1 2.287 2 1 -3.75961980911095 5524417 CC1=CC=C(C=C1)C2=CC=NC(=C3C=CC(=O)C=C3)N2 1 2.82 2 1 -1.12918390673063 5524416 C1=CC(=O)C=CC1=C2NC(=CC=N2)C3=CC=C(C=C3)F 1 2.539 2 1 -0.417306881265381 5524392 COC1=CC=C(C=C1)C(=O)/C(=C/N=O)/NNC2=CC=C(C=C2)F 1 2.855 3 3 -3.33574064847735 5524384 C1=CC(=CC=C1/C(=C\2/C(=CC(=CN2)C(F)(F)F)Cl)/N=O)Cl 1 3.575 2 1 1.27833647817379 5524359 CCOC(=O)C\1=C(NC(=O)/C1=C\N(C)C)C 1 -0.145 2 3 0 -11.9771560369469 5524335 CC1=CC=C(C=C1)N2CS(=O)(=O)/C(=C/N(C)C)/C2=O 1 0.828 2 3 0 -4.46871709063268 5524329 C1=CC=C2C(=C1)/C(=C/NC3=C(C=C(C=C3)F)F)/OC2=O 1 2.874 1 2 -0.630991562817993 5524327 CSC1=NSC(=C1C#N)/C=C/NC2=C(C=C(C=C2)F)F 1 3.831 3 0 -4.44391583242172 5524326 CC1=C(C=CC(=C1)O)N/C=C/C2=C(C(=NS2)SC)C#N 1 3.665 3 1 -4.26332845636953 5524324 CC1=C(C=C(C=C1)N/C=C/C2=C(C(=NS2)SC)C#N)C 1 4.393 3 0 -6.35064931500943 5524322 CSC1=NSC(=C1C#N)/C=C/NC2=CC(=CC=C2)Cl 1 4.085 3 0 -3.35386524366387 5524318 CCOC\1=NN(C(=O)/C1=C/NCC(=O)OC)C2=CC=C(C=C2)Cl 1 1.366 3 4 0 -9.64957813850864 5524313 CSC1=NSC(=C1C#N)/C=C/NC2=CC=C(C=C2)F 1 3.626 3 0 -5.00819916577536 5524312 CSC1=NSC(=C1C#N)/C=C/NC2=CC=C(C=C2)Cl 1 4.085 3 0 -3.89807750065379 5524311 CSC1=NSC(=C1C#N)/C=C/NC2=CC=C(C=C2)C(=O)O 1 3.05 3 2 -9.00408021250067 5524310 CC1=CC=C(C=C1)N/C=C/C2=C(C(=NS2)SC)C#N 1 3.907 3 0 -5.72007619124061 5524309 CCOC\1=NN(C(=O)/C1=C/NCC(=O)OC)C2=CC=CC=C2 1 0.702 3 4 0 -11.7328800242377 5524299 CCOC\1=NN(C(=O)/C1=C\N(C)C)C2=CC=C(C=C2)Cl 1 2.195 3 2 -2.51850077297012 5524293 CCOC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3 1 2.705 3 4 0 -8.6103198771353 5524290 CCOC\1=NN(C(=O)/C1=C\N(C)C)C2=CC=CC=C2 1 1.531 3 2 0 -4.60180265869917 5524289 C1=CC(=CC=C1N/C=C/2\C=NNC2=O)Cl 1 1.179 3 1 0 -5.7653806146966 5524198 C1C(=O)N(/C(=C/C2=CC=CC=C2)/C(=O)N1)CC3=CC=CC=C3 1 1.806 2 2 0 -5.67644644886875 5524197 CC(=O)N1CC(=O)N(/C(=C/C2=CC=CC=C2)/C1=O)CC3=CC=CC=C3 1 1.795 2 3 0 -7.80214864778821 5524165 CN(C)S(=O)(=O)C1=CC=C(C=C1)N/C=C/2\C(=NNC2=O)C(F)(F)F 1 0.798 4 3 0 -13.2344427247291 5524164 CN1C(=O)/C(=C\NCC2=CC=C(C=C2)Cl)/C(=N1)C(F)(F)F 1 2.28 3 1 -3.65670058673154 5524161 CC\1=NN(C(=O)/C1=C/NCC2=CC=NC=C2)C3=CC=CC=C3 1 0.954 4 1 0 -6.21752686025292 5524155 CN1C(=O)/C(=C\NC2=CC=C(C=C2)Cl)/C(=N1)C(F)(F)F 1 2.552 3 1 -2.23009312873904 5524146 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=CC=CC=C3O)/OC2=O 1 1.129 2 4 0 -1.16341814003409 5524143 C1=CC=C(C(=C1)C2=NOC(=C2C#N)/C=C/NC3=CC=C(C=C3)C(=O)O)Cl 1 4.022 3 3 -2.69212665620727 5524125 C/C(=C(\C(=O)NC1=CC=CC=C1)/N=O)/NNC2=CC=C(C=C2)OC 1 2.544 4 3 0 -2.88861124636584 5524114 COC1=CC=C(C=C1)C(=O)/C(=C/N=O)/NNC2=CC=C(C=C2)OC 1 2.634 3 4 0 -4.87393661616015 5524103 CC1=CC(=C(C=C1)NC(=O)N/C=C/C2=CC=CO2)C 1 2.832 2 2 -4.09211119062337 5524102 CC1=C(C=C(C=C1)NC(=O)N/C=C/C2=CC=CO2)C 1 2.832 2 2 -0.450446083355374 5524101 CC1=CC=C(C=C1)NC(=O)N/C=C/C2=CC=CO2 1 2.346 2 2 -0.202531268715259 5524091 C1=CC=C(C=C1)/C=C/NC(=O)NC2=CC=C(C=C2)Cl 1 3.129 2 1 2.53796167801039 5524090 COC1=CC=C(C=C1)NC(=O)N/C=C/C2=CC=CC=C2 1 2.448 2 2 0.30299677827943 5524089 CC1=CC=C(C=C1)NC(=O)N/C=C/C2=CC=CC=C2 1 2.951 2 1 0.71596298742357 5524055 CC1=C(C=C(C=C1)N/C=C/C(=C(C#N)C#N)OC)C 1 2.485 3 1 -4.87178919914494 5524053 COC1=CC=C(C=C1)N/C=C/C(=C(C#N)C#N)OC 1 1.496 3 2 0 -4.48540943561082 5524047 CC1=CC=C(C=C1)N/C=C/C(=C(C#N)C#N)OC 1 1.998 3 1 0 -4.24121607537612 5524045 COC(=C(C#N)C#N)/C=C/NC1=CC=C(C=C1)Br 1 2.261 3 1 -3.87587712989074 5524043 COC(=C(C#N)C#N)/C=C/NC1=CC=C(C=C1)Cl 1 2.177 3 1 -2.4192173847893 5524036 COC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=CC=C2)/C=C/NC3=CC=C(C=C3)OC4=CC=CC=C4 1 3.745 2 6 0 -7.77497970015662 5524030 CC1=CC(=CC(=C1)N/C=C/C2=C(C=C(C(=O)O2)NC(=O)C3=CC(=CC=C3)Cl)C(=O)OC)C 1 3.822 2 5 0 -5.83671414639563 5524005 COC1=CC=C(C=C1)N\2C(=O)CS/C2=C\[N+](=O)[O-] 1 1.561 2 4 0 -2.22365080713485 5524004 C1C(=O)N(/C(=C/[N+](=O)[O-])/S1)C2=CC=CC=C2 1 1.578 2 3 0 -2.07198779313294 5523962 C1=CC(=O)C=CC1=C2NC(=CC=N2)C3=CC=C(C=C3)Cl 1 2.998 2 1 0.692814783856186 5523942 CC1=C(C(=CC=C1)C)N/C(=C/2\C(=O)C3=C(C=CS3)N(S2(=O)=O)C)/O 1 2.976 2 4 -5.76418220298936 5523941 CC1=CC=C(C=C1)N/C(=C/2\C(=O)C3=C(C=CS3)N(S2(=O)=O)C)/O 1 2.49 2 4 -3.91882191840322 5523891 CN1C(=O)/C(=C\C2=CN=CC=C2)/SC1=O 1 0.997 2 2 0 -4.18854274917532 5523849 CC1=CC2=C(C=C1C)N(/C(=C/3\C=CC=NC3=O)/N2)CC4=CC=C(C=C4)F 1 4.949 3 1 -3.09609628905295 5523847 C1=CC=C(C(=C1)CN\2C3=CC=CC=C3N/C2=C\4/C=CC=NC4=O)F 1 3.976 3 1 -6.1933859810312 5523845 CCN\1C2=CC=CC=C2N/C1=C\3/C=CC=NC3=O 1 2.536 3 1 -5.88693927569495 5523844 CCCN\1C2=CC=CC=C2N/C1=C\3/C=CC=NC3=O 1 3.06 3 1 -6.78811506816047 5523843 CC1=CC(=CC=C1)CN\2C3=CC=CC=C3N/C2=C\4/C=CC=NC4=O 1 4.257 3 1 -3.60819885770169 5523839 C1=CC=C2C(=C1)N/C(=C\3/C=CC=NC3=O)/N2CC4=CC=C(C=C4)F 1 3.976 3 1 -3.62910586367053 5523829 CCOC(=O)/C(=C/C1=C(C=C(C=N1)C(F)(F)F)Cl)/N 1 2.189 2 2 2.59208740517731 5523824 C1=CC=C(C=C1)S(=O)(=O)/C(=C/NC2=CC=CC=C2Cl)/[N+](=O)[O-] 1 3.599 2 4 -4.76649405997705 5523813 C1=C(/C(=C/2\C(=O)NOC2=O)/NC=C1C(F)(F)F)Cl 1 7.4e-002 2 3 0 -3.09746776468077 5523795 CN1C(=O)/C(=C\N(C)C)/C(=N1)C(F)(F)F 1 0.568 3 1 0 -3.95417296591191 5523788 CS/C(=C\[N+](=O)[O-])/NC1=CC=C(C=C1)Cl 1 3.038 2 2 2.16648057196582 5523776 CC1=C/C(=C\2/C(=NN(C2=O)C3=CC=C(C=C3)Cl)C)/N(N1)C4=CC=C(C=C4)Cl 1 4.015 4 1 -4.16051696766515 5523772 CC1=C/C(=C\2/C(=NN(C2=O)C3=CC=C(C=C3)Cl)C)/N(N1)C4=CC=CC=C4 1 3.351 4 1 -3.59550122058983 5523750 CC1=C(C=CC(=C1)O)N/C=C/2\C(=NNC2=O)C(F)(F)F 1 1.925 3 2 0 -6.42266986870418 5523724 C1=CC(=C(C(=C1)Cl)C2=NOC(=C2C#N)/C=C/NC3=CC=C(C=C3)C(=O)O)Cl 1 4.687 3 3 -7.35946567101267 5523717 CC\1=NN(C(=O)/C1=N/NC2=CC=CC=C2)C3=NCCS3 1 2.312 5 1 -10.7992353017039 5523713 CS/C(=C\[N+](=O)[O-])/NC1=CC=C(C=C1)F 1 2.579 2 2 1.05635890684425 5523581 CN(C)/C=C/C(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.392 2 5 0 -6.87342758606061 5523579 C1=CC=C2C(=C1)NC(=C3C=CC=NC3=O)N2 1 1.834 3 1 0 -7.15087765550199 5523563 CN(C)C(=C(C#N)C#N)/C=C/NC1=C(C=CC(=C1)OC)OC 1 1.563 4 2 0 -5.55786791925738 5523562 CN(C)C(=C(C#N)C#N)/C=C/NC1=C(C=C(C=C1)F)F 1 2.006 4 0 -2.926427620247 5523561 CN(C)C(=C(C#N)C#N)/C=C/NC1=CC=C(C=C1)O 1 1.353 4 1 0 -2.32271386792674 5523557 CN(C)C(=C(C#N)C#N)/C=C/NC1=CC=C(C=C1)C#N 1 1.474 5 0 0 -5.3617543074331 5523552 CN(C)C(=C(C#N)C#N)/C=C/NC1=CC=C(C=C1)OC 1 1.579 4 1 0 -4.61555418821003 5523550 CN(C)C(=C(C#N)C#N)/C=C/NC1=CC=C(C=C1)F 1 1.801 4 0 0 -3.49071095360064 5523486 C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)/C=C/C4=CC=CC=C4 1 2.184 4 2 -7.39720270227046 5523474 CC(C)(C)CC(C)(C)N=C1C(=C2C=CC(=O)C=C2)NC3=CNC=CN31 1 1.173 4 1 0 -7.88948360399342 5523405 CN1C(=C2C=CC(=O)C=C2)NN=C1SC 1 1.438 3 1 0 -6.08785611221081 5522952 CCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C2C(=CC=C4)NC1=O 1 2.469 1 4 -10.4628989284423 5522479 CCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)NC(=O)C4=CC=CC=C4O)/C1=O 1 3.108 3 4 0 -5.81255756931922 5522448 CC1=C(C=C2C(=N1)N=C(N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br 1 3.655 4 3 0 -6.09089210503445 5522428 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 1.217 4 4 0 -6.53510918083321 5522397 CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NN/C=C/3\C=CC(=O)C=C3O)[N+](=O)[O-] 1 1.281 5 5 0 -12.2087710685192 5522209 CC1=C(C=C2C(=N1)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-])Br 1 3.982 4 2 -6.35033128832768 5522204 C1=CC=C(C=C1)C\2=CNN/C2=C\3/C=CC(=CC3=O)OCC4=CC=C(C=C4)[N+](=O)[O-] 1 2.244 3 4 0 -2.55213259004626 5522202 CC1=C(C=C2C(=N1)N=C(N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br 1 3.655 4 3 0 -4.59959162684544 5522154 C1=CC(=CC=C1COC2=CC(=O)/C(=C\3/C(=CNN3)C4=CC=C(C=C4)Cl)/C=C2)[N+](=O)[O-] 1 2.909 3 4 0 -0.255617483144239 5522153 CC(=C1C=CC(=O)C=C1)NNC(=O)CN2C=C(C=N2)[N+](=O)[O-] 1 -8.4e-002 5 4 0 -10.5501608820859 5522144 CCC1=CC\2=C(C=C1)N(C(=O)/C2=N\NC3=NC(=O)CS3)CC 1 2.529 4 2 -7.63333294977967 5522016 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=C(C=C4)F 1 1.015 5 4 0 -12.6787426368155 5521968 C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2N/C=C/4\C=C(C=CC4=O)[N+](=O)[O-] 1 2.245 4 5 0 -6.09131662976361 5521861 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)NNC3=CC(=CC=C3)[N+](=O)[O-] 1 2.337 5 4 0 -16.0810992258896 5521850 CC1=C/C(=C\2/CC(=NC3=CC=CC=C3N2)C4=CC=C(C=C4)[N+](=O)[O-])/C(=O)C=C1 1 4.116 3 3 -10.5877589676712 5521841 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 1.1 3 7 0 -10.3232678918008 5521832 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN/C=C/3\C=C(C=C(C3=O)OC)[N+](=O)[O-] 1 0.905 4 5 0 -4.47371013193288 5521786 COC1=CC(=C/C(=C\NNC(=O)CC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])/C1=O)Br 1 2.018 3 5 0 -1.46465579211016 5521713 CCOC1=CC=C(C=C1)N2C(=O)/C(=C\NC3=CC=C(C=C3)NC(=O)C)/C(=O)NC2=O 1 1.44 4 5 0 -10.0595915428704 5521687 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C/3\C(=O)NC(=S)N(C3=O)C4=C(C=CC(=C4)OC)OC 1 1.669 5 5 0 -12.8833979106283 5521669 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=C(C4=CC=CC=C4S3)Cl)/C(=N2)Cl 1 4.056 3 1 0.716467710205871 5521642 C1=CC=C(C=C1)C(=O)NN/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F 1 1.429 4 4 0 -6.45288592143299 5521627 C1=CC=C2C(=C1)C(=NN3C2=NN=C3)NNC=C4C=CC(=O)C=C4 1 0.91 6 1 0 -3.21360160234655 5521609 C1=CC2=NC(=O)C(=C2C=C1Br)NNC(=O)CNC(=O)C3=CC=NC=C3 1 -0.523 5 3 0 -13.5673087579957 5521452 CN1C(=O)C(=C(NC2=CC=CC=C2)SCC3=CC=CC=C3Cl)C(=O)N(C1=O)C 1 4.088 3 3 -10.725708049751 5521244 C1=CC=C2C(=C1)C(=C3C=CC(=O)C=C3)NN=C2NC4=CC(=CC=C4)O 1 2.52 3 2 -1.68722842092839 5521128 CN1C(=O)C(=C(NC2=CC=CC=C2)SCC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C1=O)C 1 4.753 3 3 -8.69502413201477 5521078 CC1=CC(=O)/C(=C\2/C(=CNN2)C(=O)C3=CC(=CC=C3)F)/C=C1 1 1.616 2 2 0 -5.22513697947038 5521060 COC1=CC(=C/C(=C\NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)/C1=O)[N+](=O)[O-] 1 2.57 4 5 0 -4.73698343363011 5521053 C1=CC=C(C=C1)CCN2C3=CC=CC=C3/C(=N/NC(=O)CNC(=O)C4=CC=CO4)/C2=O 1 2.33 4 4 0 -11.784159487725 5521016 CN1C(=O)C(=C(NC2=CC=CC=C2)SCC3=CC=C(C=C3)Cl)C(=O)N(C1=O)C 1 4.088 3 3 -8.19435079868148 5520991 C1=CC(=O)C=CC1=CNN2C(=O)/C(=C\C3=CC=C(C=C3)O)/SC2=S 1 2.774 2 3 -1.22281159036343 5520950 C1CN(CCC1N/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=CO3)CC4=CC=CC=C4 1 1.016 4 4 0 -1.07936717878826 5520729 C1CCN(CC1)N/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43 1 1.601 4 3 0 -1.79483448037831 5520723 COC1=CC=C(C=C1)CC(=O)NCC(=O)NNC2=C3C=CC=CC3=NC2=O 1 0.193 4 4 0 -14.4819951915605 5520632 C1COCCN1NC=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4 1 2.145 4 3 0 -6.61760920312017 5520480 C1=CC=C(C=C1)NC2=NNC(=C3C=CC(=O)C=C3)C4=CC=CC=C42 1 2.762 3 1 -4.83940541580359 5520426 CCN(CC)C1=CC=C(C=C1)N/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3 1 2.854 4 3 0 -10.7743940641138 5519976 CCN(CC)C1=CC=C(C=C1)N/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=CO3 1 2.036 4 4 0 -12.7087540964337 5519506 C1CCC(CC1)N2C(=O)/C(=C\NN3CCOCC3)/C(=O)NC2=S 1 0.644 4 3 0 -9.23615853297357 5518721 C/C(=C/1\C(=O)NC(=O)N(C1=O)CC=C)/NCC2=CC=CO2 1 0.452 3 4 0 -14.8411208531894 5518248 CCC(=C1C(=O)N(C(=O)N(C1=O)C)C)NC2=CC=CC(=C2)C(F)(F)F 1 2.597 3 3 -4.35678402427186 5518189 C1CCC(=CC1)CCN2C(=O)/C(=C/NNC3=CC=CC=C3)/C(=O)NC2=S 1 3.311 4 2 -3.35676158013928 5518131 C1=CC=C(C=C1)C(=O)NN/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F 1 1.108 4 4 0 -6.02742819794831 5518110 CC(C)(C)N1C(=O)/C(=C\NCC2=CC(=CC(=C2)OC)OC)/C(=O)NC1=O 1 1.039 3 5 0 -11.5849435271405 5518068 C1CC1N2C(=O)/C(=C/NNC3=CC=CC4=CC=CC=C43)/C(=O)NC2=S 1 2.381 4 2 -2.90773392565532 5518046 C1=CC=C(C(=C1)C(=O)NN/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F)O 1 0.866 4 5 0 -2.56316054877228 5518042 CCC(=C1C(=O)N(C(=O)N(C1=O)C)C)NC2=CC=C(C=C2)C(=O)OCC 1 1.859 3 5 0 -13.3884929816016 5517961 CC(=O)NC1=CC=C(C=C1)N/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC(=C(C=C3)OC)OC 1 1.403 4 6 0 -14.4170425094162 5517957 CC(=C1C(=O)N(C(=O)N(C1=O)C)C)NN2CCCCCC2 1 0.292 4 3 0 -9.96054678063276 5517862 CC(=C1C(=O)NC(=O)NC1=O)NNC2=CC=CC=C2 1 0.392 4 3 0 -7.32983424294687 5517814 C/C(=C/1\C(=O)NC(=O)N(C1=O)CC=C)/NC2=CC=CC(=C2)C(F)(F)F 1 2.484 3 3 -6.12113097306235 5517809 CCC(=C1C(=O)NC(=O)NC1=O)NCC2=CC(=CC(=C2)OC)OC 1 0.939 3 5 0 -14.2371849672851 5517793 CC1=CC(=NC(=N1)NC(=C2C(=O)NC(=O)NC2=O)N)C 1 -1.179 6 3 0 -10.8604049287697 5517556 CCC(=C1C(=O)NC(=O)NC1=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.033 3 3 -16.180671207434 5517140 CCC(=C1C(=O)NC(=O)NC1=O)NCCC2=CC=CC=C2 1 1.293 3 3 0 -11.7584794692429 5517107 CC1=NC(=CS1)C\2=C(NC=N/C2=C\3/C=CC(=CC3=O)OC)C(F)(F)F 1 1.418 3 2 0 -2.11706982638893 5517062 C1CCC(=CC1)CCN2C(=O)/C(=C/NNC(=O)C3=CC=CC=C3)/C(=O)NC2=S 1 2.545 4 3 0 -9.44504836488953 5517057 CCC(=C1C(=O)NC(=O)NC1=O)NC2=C(C=CC(=C2)OC)OC 1 1.21 3 5 0 -11.0914910501293 5517049 CCC(=C1C(=O)NC(=O)NC1=O)NN2CCCCC2 1 -5.2e-002 4 3 0 -10.5259578769204 5517020 CCOC(=O)C1=CC=C(C=C1)NC(=C2C(=O)NC(=O)NC2=O)C 1 0.923 3 5 0 -12.9894866815664 5516962 COC(=O)C1=CC(=CC=C1)N/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F 1 2.056 3 5 0 -9.48416283258956 5516848 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C(=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4)/C 1 1.323 5 4 0 -15.3354252048152 5516837 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NCCC2=CNC3=CC=CC=C32 1 1.885 4 3 0 -16.194548133474 5516783 C/C(=C/1\C(=O)NC(=O)N(C1=O)CC=C)/NC2=CC=CC(=C2)C(=O)O 1 1.171 3 5 0 -12.8544547464436 5516744 C1OC2=C(O1)C=C(C=C2)CN/C=C\3/C(=O)NC(=O)N(C3=O)CCC4=CC=C(C=C4)F 1 2.018 3 5 0 -8.25704899080687 5516710 C1=CC=C2C(=C1)C(=CN2)/C=C\3/C(=O)N=C(S3)NC4=CC(=CC=C4)Cl 1 4.737 3 1 2.61453353041089 5516654 CC(=C1C(=O)NC(=O)NC1=O)NCCC2=CC=CC=C2 1 0.769 3 3 0 -11.167121119478 5516571 C1CC1N2C(=O)/C(=C/NC3=CC=CC(=C3)C(F)(F)F)/C(=O)NC2=S 1 2.742 3 2 -3.19695185281321 5516390 COC(=O)C1=CC=CC=C1NC=C2C(=O)NC(=O)NC2=O 1 6.1e-002 3 5 0 -14.1864362109923 5516377 CCN1C2=C(C=C(C=C2)C)/C(=N/NC3=NC(=O)CS3)/C1=O 1 2.073 4 2 -7.25390908425518 5516333 C1=CC=C(C=C1)C(=O)NN/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=CO3 1 8.4e-002 4 5 0 -9.58587438703779 5516215 CCO/C(=C/1\C(=O)C2=C(CCCC2)NC1=O)/O 1 1.327 1 4 0 -10.2750356405733 5516251 C1=CC=C(C=C1)C2=NNC(=S)N2N/C=C/3\C=C(C=C(C3=O)Br)Br 1 2.976 4 1 -2.924717928241 5516221 CCN(CC)C1=CC=C(C=C1)N/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl 1 3.512 4 3 0 -7.43747880234736 5516182 CC(C)N1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)C3=CC=CC=C3OC)/C1=O 1 1.74 4 4 0 -16.0403180589562 5516062 CC1=CC\2=C(C=C1)N=C(/C2=C\NNC3=NC4=CC=CC=C4S3)C 1 3.002 4 0 4.70110238936519 5516000 C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)/C(=O)NCC4=CN=CC=C4 1 5.279 2 4 -8.09339044176457 5515977 CC1=C(C2=CC=CC=C2N1)/C=C\3/C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O 1 4.692 2 3 -7.75255024458048 5515965 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NN/C=C/3\C=CC=CC3=O 1 1.358 2 5 0 -10.5988273043577 5515920 C1=CC=C(C=C1)C(=O)NN/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC=C3 1 1.794 4 3 0 -5.31536890294035 5515832 CC1=CC(=CC=C1)N2C(=O)C3=CC4=C(CC(OC4)(C)C)N=C3NC2=S 1 3.724 3 2 -9.14595252881136 5515724 C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2N/C=C/4\C=CC(=O)C=C4O 1 1.965 3 4 0 -4.54178522671608 5515627 C1=CC=C(C(=C1)C(=O)NN/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=CO3)O 1 -0.158 4 6 0 -6.12160673786176 5515505 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C/3\C(=O)NC(=O)N(C3=O)CC=C 1 -0.157 5 4 0 -19.5973127935281 5515485 C1CCN(CC1)N/C=C\2/C(=O)NC(=O)N(C2=O)CC3=CC=CO3 1 -0.118 4 4 0 -7.61364294229779 5515429 C1CCC(CC1)N2C(=O)/C(=C/NNC(=O)C3=CC=CC=C3)/C(=O)NC2=S 1 2.076 4 3 0 -9.21553176470147 5515414 CC(C)C1=CC=C(C=C1)N2C(=O)/C(=C\NN3CCOCC3)/C(=O)NC2=S 1 1.557 4 3 0 -4.42276740035225 5515318 COC1=CC=C/C(=C\NNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)/C1=O 1 1.389 5 2 0 4.32702046516671 5515224 C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C/4\C(=O)NC(=O)N(C4=O)C5=CC=CC=C5 1 4.75 3 3 -1.32433665039663 5515127 CC1=CC=C(C=C1)N2C(=O)C3=CC4=C(CC(OC4)(C)C)N=C3NC2=S 1 3.724 3 2 -10.8898774091821 5515095 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C(=O)N(C(=O)N(C3=O)C)C 1 -0.568 5 4 0 -17.1930802188738 5515067 COC1=CC=CC=C1N2C(=O)C(=CNN3CCCCC3)C(=O)N(C2=S)C4=CC=CC=C4OC 1 3.342 4 4 0 -6.06264800355055 5514958 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C/3\C(=O)NC(=O)N(C3=O)C 1 -0.774 5 4 0 -13.1551364293284 5514898 C1CCC(CC1)N2C(=O)/C(=C/NNC(=O)C3=CC=CC=C3O)/C(=O)NC2=S 1 1.834 4 4 0 -5.75126411552544 5514833 C1COCCN1N/C=C\2/C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3 1 -0.208 4 4 0 -7.92477070293185 5514799 C1CN(CCN1CC2=CC=C(C=C2)Cl)CC(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 2.231 5 1 1.79436324958316 5514796 C1COCCN1N/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl 1 1.027 4 3 0 -2.88422840641707 5514790 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F)O 1 3.27 2 5 0 -2.50264527047494 5514777 C=CCN1C(=O)/C(=C\NN2CCCCC2)/C(=O)NC1=O 1 -0.267 4 3 0 -11.1465950534638 5514507 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4 1 0.81 5 4 0 -14.4984660291086 5514466 CC1=NC2=CC=CC=C2C(=O)N1N/C=C/3\C=C(C=CC3=O)Br 1 1.456 3 2 0 -6.88672622241387 5514357 COC1=CC=C/C(=C\NNC2=NN3C=NN=C3C4=CC=CC=C42)/C1=O 1 0.598 6 2 0 -5.25665533415265 5514307 CC1=C/C(=C\2/CC(=NC3=CC=CC=C3N2)C4=CC=CS4)/C(=O)C=C1 1 4.175 2 1 -10.8100787129894 5514048 CN1C(=O)C(=C(C2=CC=CC=C2)NC3=CC=C(C=C3)F)C(=O)N(C1=O)C 1 2.571 3 3 -7.3817769689593 5514008 C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2N/C=C\4/C=CC(=O)C(=C4)O 1 1.965 3 4 0 -4.21997806122429 5513944 C=CCN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)C3=CC=CS3)/C1=O 1 1.6 4 3 0 -18.0973846787617 5513910 CN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)C3=CC(=C(C=C3)OC)OC)/C1=O 1 0.997 4 5 0 -15.9022275521117 5513895 COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F)O 1 2.922 2 5 0 -1.64788652845151 5513860 CC1=C(/C(=C/NNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)/C=CC1=O)O 1 1.61 5 2 0 4.92164840298104 5513855 CN1C(=O)C(=CNNC(=O)C2=CC=NC=C2)C(=O)N(C1=S)C 1 -0.727 5 3 0 -5.79441394082199 5513761 C1CN2C3=CC=CC=C3NC2=C(C1=O)C(=O)NC4=CC=C(C=C4)C5=CC=CC=C5 1 4.156 3 2 -6.20942400114438 5513649 CC(=O)NC1=CC=C(C=C1)N/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=CO3 1 0.297 4 5 0 -12.3296787855178 5513690 CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)OC)O 1 1.994 0 5 0 -1.8405229565827 5513575 C1=CC=C(C=C1)C2=CSC3=NC(=O)/C(=C/C4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)/C(=N)N23 1 4.395 3 4 0 -7.73995561513172 5513482 CC(C)CC(=O)/C=C\1/C(=O)OC2=C(N1)C=C(C=C2)Cl 1 3.24 1 3 -3.89568592830066 5513118 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NN/C=C/3\C=C(C=CC3=O)Cl 1 1.409 3 4 0 -18.295738658397 5512920 CCOC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)OC(=O)C)OC)/NC(=O)C 1 1.99 2 6 0 -16.4919794873212 5512725 C1=CC(=O)C=CC1=C2C=C(C3=C(N2)C=CC(=C3)Br)C(=O)NN 1 1.704 3 2 0 -3.14560760485661 5512702 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC=C4C=CC(=O)C=C4 1 3.14 3 2 -4.39934746021698 5512669 COC1=C/C(=C\NNC(=O)C2=CC=C(C=C2)OCC3=CC(=CC=C3)Br)/C(=O)C=C1 1 3.01 2 4 -4.20387262722308 5512658 COC1=CC=C/C(=C\NNC(=O)C2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)/C1=O 1 2.911 4 3 0 -1.55256761942781 5512437 COC(=O)C1=C(C2=CC=CC=C2N1)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br 1 3.835 3 5 0 -3.99216646196474 5512399 COC1=CC(=C/C(=C\NC2=CC=CC(=C2)C(F)(F)F)/C1=O)Br 1 3.182 1 2 3.51722052644642 5512033 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 0.33 4 5 0 -16.1642111445375 5512031 C/C(=C\1/C=CC(=O)C=C1O)/NNC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 0.564 3 4 0 -13.8332607870866 5511942 C1=CC=C2C(=C1)C=C(N2)C=C3C(=O)NC(=S)NC3=O 1 2.348 3 2 -0.159155925655425 5511940 CC(=C1C(=O)NC(=O)NC1=O)NC2=CC=C(C=C2)OC 1 0.703 3 4 0 -8.51825721979844 5511900 C1=CC=C(C=C1)N/C=C/2\C(=O)N(C(=S)S2)CC(=O)O 1 1.87 2 3 0 -10.9354836005105 5511872 C1=CC=C(C=C1)NC(=O)CC(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C4=CC=CC=C4 1 3.562 4 3 0 -13.5455115808487 5511845 CC1=CC=C(C=C1)N2/C(=C/3\C=CC=CC3=O)/NN=C2SCC(=O)OC 1 3.208 3 3 -17.4659004522124 5511401 C1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)/C(=C/3\C4=CC=CC=C4NC3=O)/S2 1 2.269 3 4 0 -13.7828052753654 5511344 C1=CC=C(C=C1)CNC(=O)/C(=C\C2=CC=C(C=C2)O)/NC(=O)C3=CC=CO3 1 2.731 2 4 -15.5766984136918 5511001 CC1=CC=C(C=C1)S(=O)(=O)NN/C=C/2\C=C(C=CC2=O)Br 1 1.648 2 3 0 -5.35841919403848 5510861 COC1=CC(=C(C=C1)C\2=NN=C/C2=C\NNC(=O)C3=CC=NC=C3)OC 1 0.695 5 3 0 -5.29144348290102 5510461 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=NN(C=C3)CC4=CC=C(C=C4)Cl)/C=N2 1 3.01 5 1 -5.68970295670868 5510106 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=NN(C=C3)CC4=C(C=C(C=C4)Cl)Cl)/C=N2 1 3.674 5 1 -5.19797658859387 5509882 COC1=CC=C(C=C1)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)OC 1 3.693 2 4 -7.22000754605176 5509864 COC1=CC(=C(C=C1)C\2=NN=C/C2=C\NNC(=O)C3=C(C=CC(=C3)Br)O)OC 1 2.352 4 4 0 0.989940735017298 5509682 C1=CC=C(C=C1)/C=C/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/NC(=O)C3=CC=C(C=C3)Br 1 4.417 2 4 -10.530552204851 5509550 C1CN(CCN1CC2=CC=CC3=CC=CC=C32)N/C=C/4\C=C(C=CC4=O)Br 1 2.789 3 1 2.65592374909228 5509545 COC1=C/C(=C/2\C(=C\3/C=CC(=O)C(=C3)OC)\NC4=CC=CC=C4N2)/C=CC1=O 1 1.892 2 4 0 -5.63011417028682 5509252 C1=CC=C(C=C1)N2C(=O)/C(=C\NN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)/C(=O)NC2=O 1 1.628 4 5 0 -2.01489288401097 5509098 CC1=CC(=CC=C1)NC(=O)/C(=C\C2=CC=C(O2)[N+](=O)[O-])/NC(=O)C3=CC=C(C=C3)Cl 1 4.136 3 5 0 -9.47631091478621 5509036 COC1=CC(=CNNC(=O)C2=CC=CC3=CC=CC=C32)C=C(C1=O)OC 1 1.291 2 4 0 -0.268712597122882 5508807 CC\1=NNC(=O)/C1=C\C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 4.09 4 1 6.55862483609606 5508438 COC1=CC(=C(C=C1)C\2=NN=C/C2=C\NNC(=O)C3=CC=C(C=C3)Br)OC 1 2.594 4 3 0 -4.11138670076593 5508430 C=CCC1=CC=C/C(=C\NNC(=O)C2=CC=CC=C2Br)/C1=O 1 2.723 2 2 -8.50820031816668 5508279 CC\1=NN(C(=O)/C1=C/NN2C(=NC3=CC=CC=C3C2=O)C)C4=CC=CC=C4 1 1.28 5 2 0 -7.88892527600292 5508229 CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=CC=C2)Br)/NC(=O)C3=CC=CO3 1 4.201 2 3 -11.7629950811262 5508197 CN(C)C(=O)/C(=C\C1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 3.3 3 5 0 -11.5568709970047 5508046 C1CN(CCN1CC2=CC=CC=C2)N/C=C/3\C=C(C=CC3=O)Br 1 1.88 3 1 0 0.434824468488257 5508044 CC(C)(C)C1=NN=C(N(C1=O)N/C=C/2\C(=O)C=CC3=CC=CC=C32)SC 1 3.323 4 2 -3.34270276183864 5507635 CC1=C(C=C/C(=C\2/C(=C(NN2)C)OC3=CC=CC=C3)/C1=O)OCC4=CN(N=C4)C5=CC=CC=C5 1 3.322 4 3 0 8.81529013290832e-002 5507531 C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=S)NC(=O)/C=C/C4=CC=CO4 1 5.638 3 2 2.10930706818108 5507491 CN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Cl)/NC1=S 1 3.897 2 4 -6.71422379808284 5507445 CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(S3)Br)/C(=N2)C 1 4.042 2 1 -0.442427184615522 5506533 C1COCCN1C2=CC=C(C=C2)N/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl 1 3.401 4 3 0 -2.46761985175559 5506512 CN1C(=O)C(=CNC2=CC=C(C=C2)N3CCOCC3)C(=O)N(C1=S)C 1 1.366 4 3 0 -5.12932251904608 5506502 CCN1C(=O)C(=CNC2=CC(=C(C=C2)N3CCOCC3)Br)C(=O)N(C1=S)CC 1 2.812 4 3 0 -4.66841867989731 5506501 C1CCC(CC1)N2C(=O)/C(=C/NC3=CC(=C(C=C3)N4CCOCC4)Br)/C(=O)NC2=O 1 2.868 4 4 0 -8.24752159813567 5506489 C1CCC(CC1)N2C(=O)/C(=C/NC3=CC=C(C=C3)N4CCOCC4)/C(=O)NC2=O 1 2.119 4 4 0 -8.58428372230723 5506481 C1COCCN1C2=CC=C(C=C2)N/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br 1 3.485 4 3 0 -3.92427959685703 5506477 CN1C(=O)C(=CNC2=CC(=C(C=C2)N3CCOCC3)Br)C(=O)N(C1=S)C 1 2.114 4 3 0 -4.79256039487452 5506362 COC1=CC=C(C=C1)N/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=CS3 1 1.718 3 4 0 -7.16142329848548 5506357 CCN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Cl)/NC1=S 1 4.246 2 4 -6.39767650065799 5506242 CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)OC)OC)/NC(=O)C3=CC=CS3 1 3.978 2 4 -19.4109994840418 5506186 CC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)/C=C/C3=CC=CC=C3 1 3.779 2 3 -15.0874415034139 5506031 CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)COCC(=O)O)C3=NC4=CC=CC=C4S3)O 1 4.029 1 6 0 3.17584369559438 5506168 CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)/C=C/C3=CC=CC=C3 1 4.525 2 2 -11.3727589726173 5505376 CC1=C(C=C/C(=C/2\C(=C(NN2)C)C3=CN(N=C3)C4=CC=CC=C4)/C1=O)OC 1 1.953 4 2 0 -1.29209998667154 5505366 CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCCC(=O)O)C3=NC(=CS3)C)O 1 3.383 1 5 -5.35778191031359 5505361 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.821 3 5 0 -7.5363197118831 5505357 CN1C(=O)C(=CNC2=CC=CC=C2SC3=CC=CC=C3)C(=O)N(C1=O)C 1 2.735 3 3 -8.25768336770491 5505332 C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)Cl)/C(=O)NCC4=CN=CC=C4 1 4.615 2 4 -5.94409566332722 5505289 CCOC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 3.237 1 6 0 -14.025679284872 5505226 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC3=CC=CC=C3C2 1 3.32 1 4 -10.6505627012824 5505126 CC(=O)C1=CC(=CC=C1)NC(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CO3 1 1.555 3 4 0 -17.7396483635457 5505116 C1=CC(=CC(=C1)Cl)NC(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CO3 1 2.48 3 3 -12.4198151837191 5505094 CC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CO3 1 2.659 2 4 -18.2169046540749 5505076 C1=CC(=CC(=C1)F)NC(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CO3 1 2.021 3 3 -13.3776787747941 5504900 CC1=CC(=O)/C(=C\2/C(=CNN2)C(=O)C3=CC=C(C=C3)Br)/C=C1 1 2.159 2 2 -5.79917993854294 5504787 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)OCN3C(=O)C4=CC=CC=C4C3=O 1 3.686 3 7 0 -16.172668343914 5504786 CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC)C4=CC=C(C=C4)S(=O)(=O)N 1 2.55 3 7 0 -17.1382977213438 5504784 CCN1C(=O)/C(=C\C2=CNC3=CC=CC=C32)/SC1=O 1 2.79 2 2 1.73744786443006 5504747 CC\1=NN(C(=O)/C1=C\C2=CC3=C(C=C2)N(C(=O)N3C)C)C4=CC=C(C=C4)C(=O)OC(C)C 1 2.891 4 4 0 -18.5671898327177 5504677 C1CCC(CC1)N2C(=O)/C(=C\C3=NC4=CC=CC=C4N3)/SC2=S 1 4.827 3 1 -5.79685820630568 5504660 COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=CC=C3F)OC4=NC=C(C=C4)[N+](=O)[O-] 1 3.558 4 6 0 -10.7098108075597 5504559 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/2\C(=O)N=C(S2)NO 1 1.903 3 4 0 -5.99033348132639 5504419 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NONC2=C3N=C4C=CC=CC4=N3 1 2.913 5 2 0 -5.62125854179243 5504391 COC1=C(C=C(C=C1)/C=C/C(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3)OC 1 4.227 2 3 -8.44159576612033 5504333 CCOC1=C(C(=CC(=C1)[N+](=O)[O-])/C=C/2\C(=O)N(C(=O)N2)CC3=CC=CC=C3F)O 1 2.716 3 6 0 -1.81659929655518 5504308 CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC)C4=CC=CC(=C4)C(F)(F)F 1 4.787 2 5 0 -7.4935002998932 5504262 CCOC1=C(C=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)OC(=O)C4=CC=CS4 1 4.752 2 4 -15.3283494889091 5504255 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN/C(=C\3/C=CC=CC3=O)/N2C4=CC=CC=C4 1 4.322 3 3 -18.7487896954218 5504124 CCC1=NN2C(=N)/C(=C/C3=CC(=C(C=C3)OC(=O)C4=CC=CO4)OCC)/C(=O)N=C2S1 1 4.257 4 5 0 -24.3760803977152 5503982 CCOC1=C(C=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)OC(=O)C4=CC=CO4 1 4.194 2 5 0 -12.719714381218 5503930 CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NNC(=O)C3=CN=CC=C3 1 0.625 4 4 0 -13.120829058408 5503860 C/C(=C\C(=O)C1=CC=C(C=C1)Br)/NCC2=CC3=C(C=C2)OCO3 1 3.802 1 3 -3.10487677228881 5503392 C1=CC(=CC=C1C(=O)O)OC2=C(OC3=C(C2=O)C=CC(=C3)O)C(F)(F)F 1 3.212 0 6 2.79498891265413 5503355 C1=CSC(=N1)N/C=C/2\C=C(C=C(C2=O)Br)Br 1 1.529 2 1 0 -2.30833787353153 5503269 CCCN1C(=O)/C(=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)/NC1=S 1 4.105 2 4 -5.09361596690604 5503040 CCN(CC)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC4=C(C=C3)OCCO4)O 1 3.181 1 5 1.68787914192143 5501997 C1CC2=NC(=NC2=C3C1=NON3)C4=CC=CC=C4 1 0.929 4 1 0 -0.837998722225351 5501156 C/C(=C\C(=O)C1=CC=C(C=C1)Br)/NC2=C(C=CC(=C2)OC)OC 1 4.272 1 3 -1.85551705291669 5501075 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN/C=C/3\C=CC=CC3=O 1 1.224 5 2 0 -15.3609579041122 5499874 C1=CN=CC=C1C(=O)NN/C=C/2\C=C(C=C(C2=O)Br)Br 1 0.761 3 2 0 -3.51509926004285 5498930 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN/C=C/3\C=C(C=C(C3=O)[N+](=O)[O-])Cl)O 1 2.046 3 5 0 -9.22461605648784 5498884 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN/C=C\3/C=CC(=O)C(=C3)[N+](=O)[O-])O 1 1.678 3 5 0 -9.35615090971977 7307113 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 3.938 3 2 -6.4146373750408 7307112 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3 1 3.308 3 2 -8.29193920605835 7307110 CC1=CC(=NC=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CC=C3F 1 4.143 3 2 -7.64957356849261 7307109 CC1=CC(=NC=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CCC3=CC=CC=C3 1 4.429 3 2 -10.2593905696886 7307107 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl 1 4.602 3 2 -2.81972294965202 7307104 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.224 3 5 0 -8.95747492041202 7307102 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3 1 3.109 3 3 -7.73024871501662 7304593 CC1=CC=CC=C1NC2=NC(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/S2 1 5.062 3 3 -3.70214703308793 7304501 CC1=CC2=C(C=C1)N=C(N2)CSC3=C(C=CC(=N3)C)C#N 1 3.7 4 0 -7.3746287408929 7303994 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=CC(=C3)C 1 3.463 3 3 -5.60492669743477 7303993 CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 4.253 2 3 -3.19959965151161 7303054 CCOC1=C(C=C(C=C1Br)/C=C\2/C(=NN(C2=O)CCC#N)C)OC 1 2.501 3 3 -10.1785116768142 7303032 CC1=C(C=CC(=C1)[N+](=O)[O-])N/N=C\2/C(=NN(C2=O)C3=CC=CC=C3)N 1 2.476 6 3 0 -6.02099924013013 7303025 COC1=C(C=CC(=C1)[N+](=O)[O-])N/N=C\2/C(=NN(C2=O)C3=CC=CC=C3)N 1 1.973 6 4 0 -8.55913772350467 7302223 CC(=O)NC1=CC(=CC=C1)OCC2=CC=C(C=C2)S(=O)(=O)CC3=CC=CC=C3 1 3.627 1 4 -14.1107167913388 7299201 CC1=C(C(=CC=C1)C)NC2=C(N=C3N2C=CN=C3)C4=CC=C(C=C4)N5CCOCC5 1 4.278 5 1 1.23356157372404 7299199 CSC1=CC=C(C=C1)C2=C(N3C=CN=CC3=N2)NC4=CC5=C(C=C4)OCO5 1 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0 -10.4935260026745 7292921 CCC1=CC=C(C=C1)NC(=O)COC2=COC(=CC2=O)CN3CCC4=CC=CC=C4C3 1 3.03 2 4 -10.6503520461073 7292919 CC1=CC(=CC(=C1)NC(=O)COC2=COC(=CC2=O)CN3CCC4=CC=CC=C4C3)C 1 3.06 2 4 -10.7996779091583 7292917 CC1=CC(=C(C=C1)NC(=O)COC2=COC(=CC2=O)CN3CCC4=CC=CC=C4C3)C 1 3.06 2 4 -13.1732550073073 7292915 CC1=CC(=C(C=C1)C)NC(=O)COC2=COC(=CC2=O)CN3CCC4=CC=CC=C4C3 1 3.06 2 4 -12.1895555940233 7292909 CC1=CC(=CC=C1)NC(=O)COC2=COC(=CC2=O)CN3CCC4=CC=CC=C4C3 1 2.574 2 4 -8.6206625835239 7292895 C1CN(CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC(=O)N4CCOCC4 1 0.405 2 5 0 -13.9649081955379 7292873 CC1=CC(=C(C=C1)NC(=O)C(=O)NCCCN2CCCC2=O)C 1 0.992 3 3 0 -26.661148172748 7292864 CC1=CC=CC=C1NC(=O)C(=O)NCCCN2CCCC2=O 1 0.506 3 3 0 -26.4634998517613 7292855 COC1=CC=CC=C1NC(=O)C(=O)NCCCN2CCCC2=O 1 4.e-003 3 4 0 -27.4305218233242 7292824 C1CC(=O)N(C1)CCCNC(=O)C(=O)NC2=CC(=CC=C2)F 1 0.226 3 3 0 -22.3344574849917 7292775 C1CC(=O)N(C1)CCCNC(=O)C(=O)NC2=CC=CC=C2C#N 1 -0.101 4 3 0 -26.4368428782754 7292736 CC1=CC(=CC(=C1)NC(=O)C(=O)NCCCN2CCCC2=O)C 1 0.992 3 3 0 -24.5896610664703 7292708 CC1=CC=C(C=C1)NC(=O)C(=O)NCCCN2CCCC2=O 1 0.506 3 3 0 -24.1254631506222 7292667 CC1=C2C(=C(C=C1)C)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(O4)[N+](=O)[O-] 1 3.265 4 4 0 -1.03825217488402 7292627 C1CN(CCN1C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC=C(O4)[N+](=O)[O-] 1 2.957 4 4 0 -0.789111150876711 7292609 CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(O4)[N+](=O)[O-] 1 3.235 4 4 0 -1.49209160175534 7292488 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)C(=O)C4=CC=C(C=C4)C(F)(F)F 1 1.885 5 2 0 -1.22764495610031 7292486 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 0.837 6 4 0 -7.92575528339233 7292485 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)C(=O)C4=CC=CC=C4[N+](=O)[O-] 1 0.837 6 4 0 -8.69974420537836 7292483 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)C(=O)C4=CC(=CC=C4)Cl 1 1.607 5 2 0 -2.02257666281303 7292481 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)C(=O)C4=CC=C(C=C4)F 1 1.149 5 2 0 -4.11153481796735 7292479 COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4)OC 1 0.91 5 4 0 -7.79811208781055 7292478 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4)OC 1 0.91 5 4 0 -9.46646045656411 7292477 CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4 1 2.255 5 3 0 -6.73920225820287 7292476 CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4 1 1.275 5 3 0 -6.00260120428477 7292475 COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4 1 0.927 5 3 0 -5.4562882663628 7292474 COC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4 1 0.927 5 3 0 -8.16308062532562 7292473 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4 1 2.343 5 2 0 -2.2452776943213 7292472 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4)C 1 1.915 5 2 0 -4.41877800532415 7292471 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4 1 1.429 5 2 0 -4.82341184343261 7292470 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4 1 1.429 5 2 0 -6.54214944224023 7292469 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)C(=O)C4=CC=CC=C4 1 0.943 5 2 0 -5.61905941094195 7292424 C1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(O4)Br 1 2.136 5 2 0 -5.02733981608847 7292423 C1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.568 5 2 0 -3.17062300869201 7292187 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N3CCC(CC3)C(=O)OC 1 2.359 1 6 0 -4.4217102014596 7292183 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)C 1 3.154 2 5 0 -7.29271294435227 7292067 COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3)OC 1 2.256 1 6 0 -18.3515106832245 7291468 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)C2=C(C=CC(=C2)Cl)OC 1 2.44 2 5 0 -12.0594603022216 7291179 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3 1 2.74 2 5 0 -13.3241017615064 7291150 CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 3.82 1 5 -12.4333557861437 7290878 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCN2C(=O)C3=CC=CC=C3C2=O 1 2.729 2 6 0 -4.60067329609603 7290874 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)N2CCCC2=O 1 1.371 2 6 0 -11.7906632074986 7290628 C1CCN(C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-] 1 1.012 3 6 0 -20.8885591986551 7290055 C1=CC=C(C=C1)C/C(=N/OC(=O)C2=CC=CC3=CC=CC=C32)/N 1 3.33 2 2 4.5824835670295 7289751 CCOC1=CC=CC=C1N/N=C\2/C(=NN(C2=O)C(=S)N)C 1 2.021 5 2 0 -4.06041648482876 7289711 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CN=CC=C2)/C(=O)NCCC3=CC=C(C=C3)Cl 1 3.413 3 2 -17.3398697208404 7289709 C1COCCN1CCCNC(=O)/C(=C/C2=CN=CC=C2)/NC(=O)C3=CC=CC=C3 1 0.733 4 3 0 -22.3467016649949 7287430 CC1=CC=C(C=C1)C2=NC(=CS2)CCNC(=O)C3=CC=CO3 1 3.346 2 2 -3.91918626851666 7287268 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=CC=C(C=C3)F 1 2.452 8 1 0 -16.7595425271052 7287267 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=CC(=C(C=C3)C)C 1 3.218 8 1 0 -17.7193343672106 7287266 CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=NC(=N3)NCC)NCC 1 3.188 8 1 0 -17.4925583851424 7287264 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=C(C=CC=C3C)C 1 3.218 8 1 0 -19.6909466338511 7287263 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=CC=CC=C3Cl 1 2.91 8 1 0 -17.4707552811443 7287262 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=CC=CC=C3F 1 2.452 8 1 0 -18.7262706995841 7287261 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=CC(=CC=C3)F 1 2.452 8 1 0 -15.68041388694 7287259 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=CC(=CC=C3)Cl 1 2.91 8 1 0 -14.722550295865 7287255 CC1=C(SC(=C1C(=O)OC)NC(=O)CS(=O)(=O)C2=CC=CC=C2)C 1 2.266 1 5 -18.8520651873926 7287252 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=COCCO2)C 1 0.802 1 5 0 -14.7910443137023 7287230 CC1=C(SC(=C1C(=O)NC)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl)C 1 2.283 2 4 -14.8675846671745 7287226 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C(=C(S2)C)C)C(=O)NC 1 2.353 2 4 -20.5814444885994 7287224 CC1=C(SC(=C1C(=O)NC)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F)C 1 2.072 2 4 -19.6812708688003 7287223 CC1=C(SC(=C1C(=O)NC)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)F)C 1 1.824 2 4 0 -15.977706332296 7287222 CC1=C(SC(=C1C(=O)NC)NC(=O)CS(=O)(=O)C2=CC=CC=C2)C 1 1.618 2 4 0 -17.5855929969974 7287220 CC1=C(SC(=C1C(=O)NC)NC(=O)C2=CC3=C(C=C2)N=CS3)C 1 2.324 3 2 -14.8099629816572 7287189 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)N 1 1.899 2 4 0 -13.1619747138333 7287179 CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC3=C(C=C2)N=CS3)C 1 2.118 3 2 -11.8454706015035 7287148 CC1=C(SC(=C1C#N)NC(=O)CS(=O)(=O)C2=CC=CC=C2)C 1 2.289 2 3 -17.3159933080327 7287147 CC1=C(SC(=C1C#N)NC(=O)CCS(=O)(=O)C2=CC=CC=C2)C 1 2.537 2 3 -21.019557844537 7287144 CC1=C(SC(=C1C#N)NC(=O)C2=COCCO2)C 1 0.825 2 3 0 -13.2549724343424 7287045 C1CC2=C3C(=CC(=C2)S(=O)(=O)NC4=CC=CC=C4Cl)CC(=O)N3C1 1 2.708 2 3 -9.00791238050068 7287042 C1CC2=C3C(=CC(=C2)S(=O)(=O)NCC4=CC=CC=C4Cl)CC(=O)N3C1 1 2.715 2 3 -11.2061069914926 7287041 CC(C)CNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2 1 1.659 2 3 0 -14.3289508850297 7287024 COC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3 1 2.355 2 4 -11.069966082834 7286926 CC1=CC(=C(C=C1)C)NC(=O)CN2C=CN(C(=O)C2=O)C3=CC4=C(C=C3)OCO4 1 1.314 3 5 0 -11.4716704305006 7286905 CC1=CC(=C(C=C1)NC(=O)CN2C=CN(C(=O)C2=O)C3=CC=CC=C3OC)Cl 1 1.708 3 4 0 -6.95594554288015 7286901 CC1=CC(=CC=C1)NC(=O)CN2C=CN(C(=O)C2=O)C3=CC4=C(C=C3)OCCO4 1 0.845 3 5 0 -9.25068434704487 7286857 COC1=CC=CC=C1NC(=O)CN2C=CN(C(=O)C2=O)C3=CC=CC4=CC=CC=C43 1 1.465 3 4 0 -10.0979472783146 7286842 CCOC1=CC=C(C=C1)N2C=CN(C(=O)C2=O)CC(=O)NCCC3=CC=CC=C3 1 1.234 3 4 0 -14.3287077625352 7286837 C1=CC=C(C=C1)CCNC(=O)CN2C=CN(C(=O)C2=O)C3=CC(=C(C=C3)F)Cl 1 1.771 3 3 0 -12.20430166478 7284118 CCOC1=C(C=C(C=C1)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)OCC 1 2.562 2 4 -18.11545525323 7283943 C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3 1 2.59 2 4 -18.5571763470827 7283871 COC1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.792 3 4 0 -18.0275589365833 7279061 CC\1=NN(C(=O)/C1=N/NC2=C(C=C(C=C2)Cl)Cl)C(=S)N 1 3.018 5 1 0.788225071151643 7278857 C1C2CC3CC1CC(C2)(C3)NC(=O)COC4=CC=CC=C4C(=O)N 1 2.018 2 3 -9.31620331099594 7278793 C1=CC=C(C(=C1)C(=O)N)OCC(=O)NC2=C(N=CC=C2)Cl 1 1.175 3 3 0 -8.00737134715526 7278341 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=C(C=C2)C)C 1 3.976 1 4 -7.96214046122166 7278130 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3N=C(N=N3)C4=CC=CC=C4 1 1.719 6 3 0 -15.404486178278 7278076 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CN2N=C(N=N2)C3=CC=CC=C3 1 1.612 6 2 0 -9.37537379778847 7277818 C1=CNC(=C1)C(=O)COC(=O)C2=NC(=C(C(=C2Cl)Cl)Cl)Cl 1 4.471 2 3 -6.82435586859954 7277783 CC1CCC(CC1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C 1 1.972 4 3 0 -14.2844421314464 7277269 CCOC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3(CCCC3)NC2=O)OCC 1 2.146 3 5 0 -16.5043624655873 7277194 CC1=CC=CC=C1CN(C)C(=O)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.949 1 4 -11.5743930283537 7273981 CCOC1=CC=C(C=C1)OCC(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.395 2 7 0 -12.3229535984833 7273408 CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC=CO3 1 2.228 5 2 0 -14.0401722215986 7273075 C1=COC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)OC(F)F 1 2.547 5 3 0 -9.38714139467636 7272910 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3 1 1.714 6 2 0 -19.896178112113 7272554 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3)OC 1 2.267 5 3 0 -19.4471574191784 7270936 CN1C(=O)/C(=C/C2=CC=C(S2)Cl)/C(=O)NC1=S 1 2.381 2 2 3.43827633699763 7270402 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)N3CCCCC3 1 2.933 1 5 -4.44241102079575e-002 7270401 CC1CCN(CC1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C 1 3.184 1 5 -2.73353371411238 7270392 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC3=CC=C(C=C3)NC(=O)C 1 2.507 2 6 0 -1.56406130017415 7270391 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N(C)C 1 2.8 2 6 0 -3.39184256053648 7270365 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC3=CC=CC=C3OC 1 3.37 1 6 0 -1.73708546206675 7270356 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC3CCCC3 1 3.212 1 5 -1.03104326226573 7270332 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NCC3=CC=CO3 1 2.575 1 6 0 -4.47195332087392 7270223 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)N3CCCC3=O 1 2.055 1 6 0 -2.91923267300143 7270182 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)N3CCC(CC3)C(=O)OC 1 2.343 1 7 0 -1.01726358833814 7270176 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 3.826 2 5 0 3.21391995073468 7285520 C1=CC=C(C=C1)SCCCN2C=NC3=CC=CC=C3C2=O 1 3.209 2 1 -2.22336937751162 7285517 CCOC(=O)CN1C(=O)SCC(=N1)C2=CC=C(S2)Cl 1 2.561 2 3 -6.43674193931522 7285515 CSC1=NN=C(S1)SCC2=NNC(=O)SC2 1 1.828 4 1 0 -14.1096547594348 7285303 C1=CC=C(C=C1)N2C(=NN=N2)C3=CN=C(N=C3C4=CC=CS4)C5=CC=NC=C5 1 3.232 7 0 0 -1.98897279114269 7285300 C1=CC=C(C=C1)C2=CNC=C2C(=O)C3=CC=CS3 1 3.799 1 1 -0.154151920498605 7285299 C1=CC=C(C=C1)C2=CNC=C2C(=O)C3=CC=CC4=CC=CC=C43 1 4.754 1 1 3.91208473329885 7285296 C1CCN(C1)C2=NC=C(C(=N2)C(F)(F)F)C3=NN=NN3C4=CC=C(C=C4)Cl 1 3.422 7 0 0 1.64272198686719 7285295 CC1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)O)C 1 3.024 1 2 0.704226689391998 7285292 CC1=C(C=CC(=N1)C2=CC=CC3=CC=CC=C32)C(=O)O 1 3.447 1 2 3.15249384557703 7285290 CC1=C(C=CC(=N1)C2=CC=C(C=C2)Br)C(=O)O 1 3.287 1 2 1.25786222921118 7285288 CC1=CC=C(C=C1)N2C(=NN=N2)/C=C\NC3=CC4=C(C=C3C(=O)C)OCO4 1 2.445 5 3 0 -9.40206770179147 7285286 CC1=CC(=NO1)N/C=C\C2=NN=NN2C3=CC=CC=C3 1 1.117 6 1 0 -11.7130768623106 7285284 CC1=CC(=NO1)N/C=C\C2=NN=NN2C3=CC=C(C=C3)F 1 1.322 6 1 0 -10.3347073262577 7285283 CC1=CC=C(C=C1)N2C(=NN=N2)/C=C\NC3=NOC(=C3)C 1 1.603 6 1 0 -11.2348809460568 7285281 CC1=CC=C(C=C1)N2C(=NN=N2)/C=C\NC3=C(C=CC(=C3)C(F)(F)F)OC 1 3.863 5 1 -1.91478145954455 7285280 COC1=C(C=C(C=C1)C(F)(F)F)N/C=C\C2=NN=NN2C3=CC=CC=C3 1 3.376 5 1 -2.58127397013219 7285277 CC(C)(C)C1=CC(=NO1)N/C=C\C2=NN=NN2C3=CC=C(C=C3)Br 1 3.411 6 1 0 -7.61098373323195 7285276 CC(=O)C1=CC(=C(C=C1N/C=C\C2=NN=NN2C3=CC=C(C=C3)Cl)OC)OC 1 2.822 5 3 0 -10.5563361639685 7285274 CC(=O)C1=CC2=C(C=C1N/C=C\C3=NN=NN3C4=CC=C(C=C4)Cl)OCO2 1 2.623 5 3 0 -7.58006901120466 7285271 CC(=O)C1=CC(=CC=C1)N/C=C\C2=NN=NN2C3=CC=C(C=C3)F 1 2.396 5 1 -7.43138239530565 7285238 C1=CC(=CN=C1)C(=O)/C=C\NC2=CC=C(C=C2)Br 1 2.641 2 1 -1.73012272610204 7285210 CCSC1=NC2=CC=CC=C2N1C(=O)/C=C\C3=CC(=C(C=C3)OC)OC 1 4.867 2 3 -5.32524093472725 7285157 COC1=C(C2=CC=CC=C2C=C1)C(=O)/C=C\C3=COC=C3 1 3.697 0 3 -2.40983624159025 7285118 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CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3 1 3.591 2 4 -0.769106730235136 7267028 CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)SC=C3 1 3.002 1 3 -8.87830943277627 7267027 CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3 1 3.591 2 4 0.927940136836319 7284714 CC1=CC=C(C=C1)COC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C 1 3.047 1 3 -7.79749461700269 7284476 CN1C=CC=C1C(=O)OCC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC 1 2.303 3 6 0 -11.3070716237548 7284243 COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 3.716 1 5 -14.2321105818614 7266745 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CN=C3N(C2=O)C=C(S3)C 1 0.804 4 4 0 -15.9905896850702 7266741 CC1=CC(=C(C(=C1)C)NC(=O)C2=CN=C3N(C2=O)C=C(S3)C)C 1 2.598 3 2 -9.70101662561811 7266705 CC1=CN2C(=O)C(=CN=C2S1)C(=O)NC3=CC=CC=C3SC 1 1.681 3 2 0 -14.8295970538036 7266408 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCC(CC2)CC3=CC=CC=C3)C 1 1.764 3 3 0 -8.35329934029207 7262385 COC1=CC=CC=C1/C=C/C2=N/C(=C\C=C/C3=CC=CC=C3)/C(=O)O2 1 4.232 1 3 1.71668039625092 7262050 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COC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3 1 2.065 1 5 -17.1789979652328 7260663 CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3 1 2.567 1 4 -16.7660317560887 7260661 C1CN(CCC12CC(=O)C3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4 1 2.081 1 4 -17.8304543923372 7260646 CCSC1=CC=CC=C1C(=O)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3 1 3.269 1 3 -13.2665739386258 7260645 CSC1=CC=CC=C1C(=O)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3 1 2.92 1 3 -13.7161810693303 7260633 C1CN(CCC12CC(=O)C3=CC=CC=C3O2)C(=O)C(=O)C4=CNC5=CC=CC=C54 1 2.557 2 4 -7.64884318740687 7260608 C1CN(CCC12CC(=O)C3=CC=CC=C3O2)C(=O)COC4=CC=C(C=C4)F 1 2.419 1 4 -8.07794501932457 7260607 C1CN(CCC12CC(=O)C3=CC=CC=C3O2)C(=O)COC4=CC=CC=C4F 1 2.419 1 4 -9.21281499063952 7260606 CC1=CC=C(C=C1)OCC(=O)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3 1 2.7 1 4 -8.78982204478983 7260605 CC1=CC(=CC=C1)OCC(=O)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3 1 2.7 1 4 -7.79537348217581 7260604 CC1=CC=CC=C1OCC(=O)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3 1 2.7 1 4 -8.88137778225843 7260603 CCOC1=CC=C(C=C1)OCC(=O)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3 1 2.546 1 5 -9.97078357231011 7260602 COC1=CC=C(C=C1)OCC(=O)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3 1 2.197 1 5 -9.34806482513353 7260601 COC1=CC(=CC=C1)OCC(=O)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3 1 2.197 1 5 -9.88978820763483 7260600 COC1=CC=CC=C1OCC(=O)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3 1 2.197 1 5 -12.8418403351193 7260594 C1CN(CCC12CC(=O)C3=CC=CC=C3O2)C(=O)COC4=CC=C(C=C4)Cl 1 2.878 1 4 -6.967823354203 7260593 C1CN(CCC12CC(=O)C3=CC=CC=C3O2)C(=O)COC4=CC=CC=C4 1 2.213 1 4 -9.44646905377103 7260554 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3 1 2.759 2 5 0 -9.8900951487435 7260553 C1CN(CCC12CC(=O)C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.272 2 5 0 -9.45693742046148 7260552 C1CN(CCC12CC(=O)C3=CC=CC=C3O2)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.272 2 5 0 -10.5622772995888 7260551 C1CN(CCC12CC(=O)C3=CC=CC=C3O2)C(=O)C4=CC=CC=C4[N+](=O)[O-] 1 2.272 2 5 0 -11.4072849920624 7260550 COC1=C(C=C(C=C1)Cl)C(=O)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3 1 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CC1=CC=C(C=C1)COC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.645 2 4 -10.1742816161079 7251556 C1=CC=C(C=C1)C(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 2.125 2 4 -19.5685943885968 7251475 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC(=O)C3=CC=C(C=C3)F 1 2.331 2 4 -17.8926567986098 7251446 C1CCC(CC1)(C#N)NC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 1.588 4 4 0 -20.0294821717025 7251411 COC1=CC(=C(C=C1)C(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32)OC 1 2.093 2 6 0 -17.2837011846098 7251360 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 1.427 4 5 0 -20.1090154316857 7251300 CCOC1=CC=C(C=C1)C(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 2.458 2 5 0 -19.7126802362921 7251297 C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 0.763 4 5 0 -22.8950746867942 7251279 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC(=O)NC3=NC=C(C=C3)Cl 1 1.559 4 4 0 -16.309318539435 7249344 CC1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.607 2 5 0 -16.7599415053152 7247769 C1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.355 2 5 0 -14.0708319014108 7247746 CS(=O)(=O)NC1=CC=CC=C1C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3 1 1.422 3 5 0 -13.9904176155949 7247548 CCOC1=C2C(=CC=C1)SC(=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F)N2C 1 3.728 2 4 -10.6237387892798 7247221 CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)NC3=CC=CC=C3SC)C 1 2.906 3 2 -20.1510269651153 7247215 CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)NC3=C(C=CC=C3F)F)C 1 2.776 3 2 -14.863661717268 7247199 CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)NC3(CCCCC3)C#N)C 1 2.446 4 2 -16.5967034454461 7247183 CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)NC3=CC=CC=C3C(=O)C)C 1 2.104 3 3 -20.5507560311814 7247166 CC1=C(C=C(C=C1)F)NC(=O)CSCC2=NC3=C(C(=C(S3)C)C)C(=O)N2 1 3.056 3 2 -15.9181708011287 7246384 COC1=CC=C(C=C1)N2C=CN=C(C2=O)SCC(=O)NCC3=CC=CC=C3Cl 1 2.488 3 3 -15.5068823908597 7246143 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 4.016 0 6 -9.4578682321928 7245511 C1CN(S(=O)(=O)N(C1)CC2=C(C=CC=C2Cl)F)CC3=CC=CC=C3F 1 3.084 2 2 -3.57539786309746 7245509 CC1=CC=C(C=C1)CNC(=O)CN2C(=C(N=N2)C(=O)NC3=CC=CC(=C3C)C)N 1 2.705 6 2 0 -23.1197706129613 7245014 CCCCS(=O)(=O)/C=C/[C@@H]1[C@H]2C[C@@H]([C@H]1S(=O)(=O)CCCC)C=C2 1 2.894 0 4 -2.4164553406822 7244645 C1COCCN1S(=O)(=O)C2=CNC(=O)NC2=O 1 -2.503 3 5 0 -18.8710709054003 7244627 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CNC(=O)NC3=O 1 -8.3e-002 3 4 0 -18.4161437014104 7244114 CC1=CC(=C(C=C1)C)C2=NN=C(O2)NC(=O)CC3=CC=CC=C3 1 3.462 3 2 -3.63732467360162 7244093 CC1=CC(=C(C=C1)C)C2=NN=C(O2)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.841 4 5 0 -1.81712508177476 7244079 CC1=CC(=C(C=C1)C2=NN=C(O2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3)C 1 3.053 3 4 0 -11.4318107268444 7244076 CC1=CC(=C(C=C1)C2=NN=C(O2)NC(=O)C3=COCCO3)C 1 1.341 3 4 0 -4.01157730336375 7244053 CC1=CC(=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C 1 2.841 4 5 0 -2.13120461622358 7244050 CC1=CC(=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=CO3)C 1 2.823 3 3 -1.74724382110706 7244039 C1COC(=CO1)C(=O)NC2=NN=C(O2)C3=C(C=CC(=C3)Cl)Cl 1 1.698 3 4 0 -1.82851233415727 7244019 C1=COC(=C1)C(=O)NC2=NN=C(O2)C3=C(C=CC(=C3)Cl)Cl 1 3.179 3 3 0.435821148099419 7244013 CCOC1=CC(=CC(=C1OCC)OCC)C2=NN=C(O2)NC(=O)C3=COCCO3 1 1.366 3 7 0 -10.6729797937691 7244007 CCOC1=CC(=CC(=C1OCC)OCC)C2=NN=C(O2)NC(=O)C3=CC=CO3 1 2.847 3 6 0 -8.33321239449432 7243998 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)NC(=O)C3=CC=CO3 1 1.801 3 6 0 -5.72458389498906 7243578 CC1=C(C=C(C=C1)NC(=O)C2(CCOCC2)C3=CC=CS3)C 1 3.682 1 2 -11.9586203387149 7243574 C1COCCC1(C2=CC=CS2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4 1 4.328 1 2 -15.4481927627319 7243564 C1COCCC1(C2=CC=CS2)C(=O)NC3=CC=CC=C3 1 2.709 1 2 -11.9647538889729 7243529 C1COCCC1(C2=CC=CS2)C(=O)NCC3=CC=C(C=C3)F 1 2.922 1 2 -11.9568752608327 7243520 CC1=CC(=CC(=C1)NC(=O)C2(CCOCC2)C3=CC=CS3)C 1 3.682 1 2 -12.0994695229048 7243515 CC1=CC=C(C=C1)CNC(=O)C2(CCOCC2)C3=CC=CS3 1 3.202 1 2 -12.668752286298 7243337 CCN1CCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CC=C4)/C3=O)O 1 3.274 2 3 6.42311144624571 7243309 CCN1CCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)C)/C3=O)O 1 3.76 2 3 6.59505526333007 7243149 CCOC(=O)C1=C(N(C(=NC(=O)CCS(=O)(=O)C2=CC=CC=C2)S1)C)C 1 2.284 2 5 0 -17.1818539254147 7241294 CC(=O)[C@H]1[C@@H](C([C@H]2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC(=CC=C4)Cl 1 3.193 3 1 -3.74672458878955 7241267 CC(C)(C)C(=O)N1CCC[C@@]1(CO)C(=O)O 1 0.627 1 4 0 -3.28629725488726 7241149 CC1=C(C(=S)NC(=O)N1)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.474 3 2 -11.9390034533717 7241147 CO/C=C\C=C/C1=NN(N=N1)C2=CC=C(C=C2)Cl 1 2.621 4 1 4.37822511365236 7241013 CCCCN1C(=O)/C(=C\NC2=C(N=CC=C2)Cl)/C(=O)N(C1=O)CC=C 1 2.285 4 3 0 -12.0872552998706 7241012 CCCCN1C(=O)/C(=C\NC2=C(C=CC=C2OC)[N+](=O)[O-])/C(=O)N(C1=O)CC=C 1 2.44 4 6 0 -13.9377941664867 7240798 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)C3=CC=CS3 1 2.639 2 3 -8.44379079311103 7240778 CC1=CC(=C(C=C1)C(=O)CN2C(=O)C3(CCCCCC3)NC2=O)C 1 3.658 2 3 -3.01629277705471 7240776 CCC(=O)NC1=CC=C(C=C1)C(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 2.473 3 4 0 -9.92133026674679 7240774 CCOC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3(CCCCCC3)NC2=O)OCC 1 3.059 3 5 0 -16.8588309797554 7240768 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 3.25 3 5 0 -13.0610654940623 7240754 CCOC1=CC=C(C=C1)C(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 3.018 2 4 -6.99495667857916 7240724 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.427 4 6 0 -10.4799764651092 7240710 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=C(N=CC=C3)Cl 1 1.584 4 3 0 -8.93265143490048 7239354 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N(C)CC(=O)NC3=CC=C(C=C3)F 1 2.874 2 5 0 -6.39253932455322 7237360 C1=CC(=CC(=C1)F)NC2=C(C=NC=C2)[N+](=O)[O-] 1 2.329 3 2 1.83839935982199 7236767 C1COCCC12[C@@H](C2(C#N)C#N)C(=O)C34CC5CC(C3)CC(C5)C4 1 2.138 2 2 -4.83909712434424 7235297 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.202 4 6 0 -10.9150297844715 7234547 CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1 1 2.744 2 1 -15.5350017707577 7234408 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)N2CCCC2=O)C 1 0.974 2 6 0 -19.2154189914575 7233737 C1=CC(=C(C(=C1)Cl)NC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3)C(F)(F)F 1 4.126 1 4 -7.01651437396924 7231881 CC1=C(SC=C1)/C=C(/C2=NC3=CC=CC=C3O2)\C(=O)C4=CC=C(C=C4)OC(C)C 1 6.262 1 3 -2.18124974309074 7230794 CC1=CC(=NC=C1)N/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3Br 1 2.804 3 2 -5.89592854852773 7230647 CCCCN1C=NC(=C1N)C(=O)OCC 1 1.262 3 2 0 -11.6701861009575 7230574 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3C(=O)OC 1 2.547 2 5 0 -6.00646674032441 7230554 C1=CC(=C(C=C1Cl)S(=O)(=O)NNC2=NC=C(C=C2)[N+](=O)[O-])Cl 1 2.314 4 4 0 -4.86077414153578 7230550 C1=COC(=C1)C(=O)OC2=CC(=CN=C2)Cl 1 2.171 1 3 -5.43903940333689 7229752 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-] 1 2.869 2 5 0 -14.6999653796495 7229234 COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 3.702 1 5 -12.4019509523412 7228629 C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O 1 2.828 2 5 0 -8.56326056105084 7225982 C1CCC(CC1)(C#N)NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 0.672 4 5 0 -8.069087757241 7225939 C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 -0.153 4 6 0 -10.9346802723327 7222732 CC1=CC=C(C=C1)C(=O)NCCC2=C(N=C(S2)C)C 1 2.432 2 1 -10.8725836533004 7222728 CC1=C(SC(=N1)C)CCNC(=O)C2=CC=C(C=C2)C(F)(F)F 1 2.889 2 1 -7.08852017163433 7222724 CC1=C(SC(=N1)C)CCNC(=O)C2=CC(=CC=C2)Cl 1 2.611 2 1 -8.21137361482195 7222721 CC1=C(SC(=N1)C)CCNC(=O)C2=CC=CC=C2Br 1 2.695 2 1 -10.5352733887069 7222584 CC1=C(SC(=N1)C)C2=NN=C(C=C2)SCC(=O)NC3=CC(=CC=C3)OC 1 3.15 4 2 -7.22829334974267 7222518 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3)Cl 1 3.876 4 1 -8.90343911527203 7222501 C1=CC(=CN=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)F 1 3.136 4 1 -8.4994557803028 7222496 CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 2.465 4 2 -12.0036531188266 7222488 C1=CC(=CN=C1)C2=NN=C(C=C2)SCC(=O)NC3=C(C=C(C=C3)F)F 1 3.136 4 1 -9.02522733102298 7222480 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=NC=C3 1 1.563 5 3 0 -8.98610236761396 7222478 C1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 2.272 4 1 -10.6758196872191 7222469 C1=CC(=CN=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)Br 1 3.474 4 1 -8.96995602369537 7222467 C1=CC(=CN=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)F 1 2.931 4 1 -8.6234179437155 7222465 C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3)F 1 2.931 4 1 -10.6875403427192 7222463 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 1.846 5 2 0 -12.525212705934 7222457 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 3.058 4 2 -10.5144843300329 7222455 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 2.692 4 3 0 -11.9966053946949 7222453 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3)OC 1 2.692 4 3 0 -13.9039732733618 7222450 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 2.709 4 2 -9.74826117832489 7222442 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3)C 1 3.698 4 1 -12.0976360661598 7222440 CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 3.668 4 1 -9.57473310495984 7222433 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 3.211 4 1 -9.33529496918075 7222431 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 3.211 4 1 -7.5450436423764 7222429 CC1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 3.211 4 1 -11.9973819716978 7222428 C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 2.725 4 1 -9.58934333407888 7222420 COC1=CC=CC(=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.261 3 3 -11.2582435381682 7221251 CCC1=CC(=O)OC2=C1C=CC(=C2OCC)OCC 1 3.467 0 4 -5.35557893892957 7221250 COC1=C(C2=C(C=C1)C3=C(CCCC3)C(=O)O2)OCC(=O)O 1 2.782 0 6 -12.9898166785475 7218890 COC1=CC=C(C=C1)/C=C(/C(=O)C2=C(C=C(C=C2)Cl)Cl)\N3C=NC=N3 1 4.261 3 2 -1.34875106868638 7218014 CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CS3 1 2.272 2 4 -14.1663685288567 7218013 C1=CN=C(N=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CS3 1 1.989 2 4 0 -10.7517329355802 7218012 CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CO3)C 1 1.996 2 5 0 -10.5704878786336 7218011 CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CO3 1 1.713 2 5 0 -11.5577334211655 7218010 C1=CN=C(N=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CO3 1 1.431 2 5 0 -8.14309782788903 7217990 C1=CC=C(C=C1)CC(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3 1 2.07 2 4 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CC1=NN=C2N1N=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=C(N=CC=C4)Cl 1 2.568 6 1 0 -6.15435415733846 7217835 CC1=NN=C2N1N=C(C=C2)C3=CC=C(C=C3)NC(=O)CC4=CC=CS4 1 2.833 5 1 -11.6898379884206 7217828 CC1=NN=C2N1N=C(C=C2)C3=CC=C(C=C3)NC(=O)C 1 1.181 5 1 0 -8.06317417402979 7217822 C1=CC(=CC=C1C2=NN3C=NN=C3C=C2)NC(=O)C4=CC=C(O4)Br 1 2.852 5 2 0 -6.86266067258594 7217821 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C3=NN4C=NN=C4C=C3 1 3.351 5 1 -1.8643087346929 7217816 C1CCC(C1)C(=O)NC2=CC=C(C=C2)C3=NN4C=NN=C4C=C3 1 2.895 5 1 -1.50984022052482 7217807 CC(C)C(=O)NC1=CC=C(C=C1)C2=NN3C=NN=C3C=C2 1 2.354 5 1 -10.9758867449585 7217798 CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN4C=NN=C4C=C3 1 3.222 5 2 0 -5.30190547549605 7217796 CCOC1=C(C=CC=N1)C(=O)NC2=CC=CC(=C2)C3=NN4C=NN=C4C=C3 1 2.61 6 2 0 -8.58699836660171 7217794 CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN4C=NN=C4C=C3 1 3.376 5 1 -4.50847027878696 7217792 COC1=C(C=C(C=C1)CC(=O)NC2=CC=CC(=C2)C3=NN4C=NN=C4C=C3)OC 1 2.891 5 3 0 -9.20850510530361 7217791 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN4C=NN=C4C=C3)OC 1 2.857 5 3 0 -9.23352436847194 7217790 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C3=NN4C=NN=C4C=C3 1 2.284 5 2 0 -3.31425794298187 7217786 COC1=C(C=C(C=C1)Cl)C(=O)NC2=CC=CC(=C2)C3=NN4C=NN=C4C=C3 1 3.537 5 2 0 -2.95133751653113 7217784 C1=CC(=CC(=C1)NC(=O)CC2=CC=CS2)C3=NN4C=NN=C4C=C3 1 2.878 5 1 -7.56470276099507 7217780 COC1=CC=CC(=C1OC)C(=O)NC2=CC=CC(=C2)C3=NN4C=NN=C4C=C3 1 2.857 5 3 0 -7.06372149838362 7217778 CCOC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=NN4C=NN=C4C=C3 1 3.222 5 2 0 -6.36711490938995 7217777 C1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)Cl)C3=NN4C=NN=C4C=C3 1 3.389 5 2 0 -2.62175598362687 7217775 CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=NN4C=NN=C4C=C3 1 3.376 5 1 -6.85510782280581 7217774 COC1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN4C=NN=C4C=C3)OC 1 2.857 5 3 0 -7.04551447198104 7217772 COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN4C=NN=C4C=C3 1 2.873 5 2 0 -4.53568232378803 7217768 C1=CSC(=C1)C(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4 1 3.226 5 1 -12.540389461704 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3.151 4 1 -7.23709937138143 7217464 CC1=CC=C(C=C1)C2=NN3C(=NN=C3SCC(=O)N)C=C2 1 2.508 5 1 -11.3951324777791 7217462 CCSC1=NN=C2N1N=C(C=C2)C3=CC=C(C=C3)C 1 4.002 4 0 -6.2231947487761 7217445 COC1=CC=C(C=C1)C2=NN3C(=NN=C3SCC(=O)N)C=C2 1 2.005 5 2 0 -11.8080986869233 7217442 CCSC1=NN=C2N1N=C(C=C2)C3=CC(=C(C=C3)OC)OC 1 3.483 4 2 -9.77247151611119 7217440 C1=CC(=CC=C1C2=NN3C(=NN=C3SCC(=O)N)C=C2)Cl 1 2.686 5 1 -9.57313378719229 7217414 COC1=C(C=C(C=C1)Cl)NC(=O)C2(CCOCC2)C3=CC=CS3 1 3.357 1 3 -11.5686492961902 7217412 C1COCCC1(C2=CC=CS2)C(=O)NC3=C(C=C(C=C3)F)F 1 3.12 1 2 -10.8773922700817 7217406 CC1=CC(=CC=C1)NC(=O)C2(CCOCC2)C3=CC=CS3 1 3.196 1 2 -9.92045419727041 7217405 CC(C)CCNC(=O)C1(CCOCC1)C2=CC=CS2 1 2.713 1 2 -17.4867023559832 7217404 COC1=CC=C(C=C1)NC(=O)C2(CCOCC2)C3=CC=CS3 1 2.693 1 3 -12.1236717332189 7217109 CC1=CC=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC(=O)C3=CC=CC=C3 1 3.147 3 3 -10.5391696609837 7217092 CN1C(=O)C(=CN=C1SCC(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F 1 2.866 3 3 -9.82729263551847 7217075 CN1C(=O)C(=CN=C1SCC(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3 1 2.866 3 3 -9.18829920638247 7217074 CC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=O)N2C)C(=O)NC3=CC=CC=C3 1 3.147 3 3 -9.90017623184772 7217069 CN1C(=O)C(=CN=C1SCC(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 2.661 3 3 -10.9888552614053 7217063 CN1C(=O)C(=CN=C1SCC(=O)NCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 2.048 4 3 0 -19.8162924339249 7217021 CC1=C(C(=O)N2C=CC=CC2=N1)NC(=O)C3=CC=CS3 1 0.717 3 2 0 -14.5600118691917 7216577 C1=COC(=C1)C(=O)NCCC2=CSC(=N2)C3=CC=C(C=C3)Cl 1 3.525 2 2 -2.09718757792984 7216404 CCN(CCO)C1=NC2=C(C=NN2C)C(=N1)N3CCCCC3 1 0.971 6 1 0 -1.06151420758407 7216390 CN1C2=C(C=N1)C(=NC(=N2)NCCOC)N3CCCCC3 1 0.825 6 1 0 -4.84853734188674 7216388 CN1C2=C(C=N1)C(=NC(=N2)NCCCO)N3CCCCC3 1 0.478 6 1 0 -0.109347256549875 7216353 CCN(CCO)C1=NC2=C(C=NN2C)C(=N1)NCC3=CC=CC=C3 1 1.431 6 1 0 -1.654083413933 7216348 CN1C2=C(C=N1)C(=NC(=N2)N(C)CCO)NCC3=CC=CC=C3 1 1.082 6 1 0 1.88710118572389 7216332 CN1C2=C(C=N1)C(=NC(=N2)NCCOC)NCC3=CC=CC=C3 1 1.285 6 1 0 -5.15807475438627 7216330 CN1C2=C(C=N1)C(=NC(=N2)NCCCO)NCC3=CC=CC=C3 1 0.939 6 1 0 -0.418884669049411 7216284 CCCCNC1=NC2=C(C=NN2C)C(=N1)NC3=CC(=C(C=C3)C)Cl 1 3.888 6 0 -0.431340418798591 7215655 CCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N(CC)CC)Cl 1 2.552 2 3 -19.7085313443409 7215654 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=CC=C2C 1 3.579 2 3 -17.3976961380827 7213142 CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 4.246 3 4 0 -23.5303921142554 7211972 CC1=CSC(=N1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3 1 3.156 4 1 -8.43779251085194 7211646 COC(=O)CC1=C([C@H](C(=C(O1)N)C#N)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC 1 1.115 3 7 0 -18.5870153239102 7211076 CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCCCC2)OC 1 4.218 1 5 -21.3916684224263 7210203 COC1=CC=C(C=C1)OCCCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.762 2 5 0 -10.1749455573995 7209840 CC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)C2=CC=C(C=C2)F)C 1 1.01 2 5 0 -12.9284472204812 7209183 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C1=CC(=CC=C1C(=O)CSC2=NN=C(C=C2)C3=CC=NC=C3)Cl 1 4.009 3 1 -0.268230615023302 7207483 C1=CC(=CN=C1)C2=NN=C(C=C2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.239 4 3 0 -6.15527384122103 7207482 C1=CC=NC(=C1)C2=NN=C(C=C2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.668 4 3 0 -3.25786238110137 7207478 COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC=NC=C3 1 3.037 4 2 -11.061124543555 7207475 COC1=CC=CC(=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC=NC=C3 1 2.716 4 2 -11.6614391970262 7207470 COC1=CC=CC(=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3 1 3.144 4 2 -10.832068711685 7207467 COC1=CC=CC=C1CNC(=O)CSC2=NN=C(C=C2)C3=CC=NC=C3 1 2.716 4 2 -13.7669358864867 7207466 COC1=CC=CC=C1CNC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3 1 3.144 4 2 -13.0085841716331 7207460 CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3 1 3.647 4 1 -10.3129471344106 7207453 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 3.195 4 2 -11.7315316493678 7207450 C1=CC=NC(=C1)C2=NN=C(C=C2)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.995 4 2 -3.09500304760653 7207445 C1=CC=NC(=C1)C2=NN=C(C=C2)SCC(=O)C3=CC=C(C=C3)F 1 3.979 3 1 -0.451587568278889 7207443 CC1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)C3=CC=NC=C3 1 3.831 3 1 -2.09022930561012 7207441 CC1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 3.831 3 1 -4.0608760538638 7207435 CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3 1 2.893 4 2 -9.10624165870699 7207422 C1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)C3=CC=NC=C3 1 3.345 3 1 -2.88587687311947 7207419 C1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3 1 3.773 3 1 -2.12752515826589 7207416 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 2.127 6 1 0 -16.8716510743885 7207414 CC1=NN=C(S1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 1.46 6 1 0 -15.7198961285335 7207412 CC1=NN=C(S1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3 1 1.888 6 1 0 -12.8224846684138 7207402 CC1=CSC(=N1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3 1 2.433 5 1 -7.69370480811312 7207400 C1=CC=NC(=C1)C2=NN=C(C=C2)SCC(=O)NC3=NC=CS3 1 2.151 5 1 -8.2132660917323 7207396 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(C=C3)C4=CN=CC=C4 1 3.462 4 1 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CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=NC=C3 1 2.929 4 3 0 -11.7870551294841 7207359 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 2.929 4 3 0 -13.7577018777378 7207356 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 1.846 5 2 0 -12.4500333948546 7207354 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3 1 2.274 5 2 0 -9.55262193473492 7207343 CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3)C 1 4.184 4 1 -10.5604105123544 7207341 CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3)C 1 4.126 4 1 -5.52901846367983 7207338 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3 1 3.64 4 1 -6.4378835090611 7207334 C1CCC(C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3 1 2.979 4 1 -9.59194406436343 7207329 C1CCC(CC1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3 1 3.435 4 1 -9.94641257853151 7207304 C1=CC=C(C=C1)CSC2=NN=C(C=C2)C3=CN=CC=C3 1 3.672 3 0 -4.39877578875961 7207303 C1=CC=C(C=C1)CSC2=NN=C(C=C2)C3=CC=CC=N3 1 4.101 3 0 -1.57238309912758 7207296 C1=COC(=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC=C(C=C3)Cl 1 3.942 3 2 -8.91712327030691 7207292 C1=CC(=C(C(=C1)Cl)CSC2=NN=C(C=C2)C3=CC=CO3)F 1 5.088 2 1 -3.07027198896593 7207290 C1=COC(=C1)C2=NN=C(C=C2)SCC3=CC=C(C=C3)Cl 1 4.882 2 1 0.806668666768125 7207288 C1=CC(=CC(=C1)Cl)CSC2=NN=C(C=C2)C3=CC=CO3 1 4.882 2 1 0.6464973675301 7207284 C1=CC=C(C(=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC=CO3)Cl 1 3.942 3 2 -12.200155617902 7207274 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.785 3 4 0 -5.13289400807664 7207272 COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.583 3 3 -10.5605346581721 7207270 CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.764 3 2 -10.7391219608937 7207264 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.741 3 3 -9.26029501573122 7207263 COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3)OC 1 3.238 3 4 0 -10.1505777411323 7207258 C1=COC(=C1)C2=NN=C(C=C2)SCC3=CC=C(C=C3)Br 1 4.966 2 1 -0.649991078333313 7207253 C1=CSC(=C1)C2=NN=C(C=C2)SCC(=O)C3=CC=CS3 1 4.402 2 1 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3.599 3 2 -11.0597775803324 7207181 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(C=C3)C4=CC=CO4 1 3.046 3 4 0 -12.4343758981189 7207178 C1=COC(=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC=C(C=C3)F 1 3.483 3 2 -10.0272449354285 7207175 C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.278 3 2 -11.6513310921981 7207172 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.011 3 3 -10.5787408663409 7207159 C1=COC(=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)F 1 3.476 3 2 -6.15218131007896 7207156 C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3)F 1 3.476 3 2 -8.21630370908267 7207152 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 2.391 4 3 0 -10.0539760722975 7207150 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 2.391 4 3 0 -9.97879676121803 7207142 CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.603 3 3 -11.2864180585043 7207140 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.603 3 3 -8.04324769639637 7207139 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.238 3 4 0 -9.52536876105833 7207138 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3)OC 1 3.238 3 4 0 -11.4327366397253 7207136 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CS3)OC 1 3.796 3 3 -14.1395206490606 7207135 COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3)OC 1 3.238 3 4 0 -12.1941770845771 7207134 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.255 3 3 -7.27702454468835 7207133 COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.255 3 3 -7.01771337652546 7207131 COC1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.255 3 3 -10.4931673096243 7207124 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3)C 1 4.243 3 2 -9.62639943252327 7207119 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 4.243 3 2 -8.64270001923929 7207118 CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3)C 1 4.243 3 2 -7.25282233437428 7207117 CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3)C 1 4.243 3 2 -5.95519329016294 7207115 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.757 3 2 -6.86405833554421 7207114 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.757 3 2 -5.07380700873986 7207113 CC1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.757 3 2 -9.52614533806128 7207110 C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.271 3 2 -7.11810670044234 7207106 C1CCC(C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.096 3 2 -10.0181188908465 7207103 CC1=CC=C(C=C1)CSC2=NN=C(C=C2)C3=CC=CO3 1 4.704 2 1 -1.01533002381869 7207099 C1CCC(CC1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3 1 3.553 3 2 -10.3725874050146 7207098 C1=COC(=C1)C2=NN=C(C=C2)SCC3=CC=C(C=C3)F 1 4.423 2 1 -0.303452998353442 7207095 C1=CC=C(C(=C1)CSC2=NN=C(C=C2)C3=CC=CO3)F 1 4.423 2 1 -2.97948622658057 7207093 C1=CC(=CC(=C1)F)CSC2=NN=C(C=C2)C3=CC=CO3 1 4.423 2 1 9.16552440286387e-002 7207092 CC1=CC(=CC=C1)CSC2=NN=C(C=C2)C3=CC=CO3 1 4.704 2 1 -0.520945568747517 7207091 CCSC1=NN=C(C=C1)C2=CC=CO2 1 2.983 2 1 -0.723137228804242 7206330 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)F 1 4.335 3 3 -6.02533121632914 7206324 CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4 1 3.384 3 4 0 -10.3397024654405 7206318 CC1=CC=CC=C1CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4 1 5.077 2 2 -4.45307768530584 7206308 C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC(=O)NC4=NC=CS4 1 2.641 4 3 0 -9.52343661499094 7206305 CC1=CC(=NO1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4 1 2.782 4 4 0 -16.9522537369862 7206282 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4 1 3.384 3 4 0 -11.3435831688944 7206276 CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C 1 4.616 3 3 -6.62264136619167 7206274 CC1=CC=C(C=C1)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4 1 5.077 2 2 -1.78017232637221 7206270 C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC4=CC=C(C=C4)F 1 4.796 2 2 -1.06829530090695 7206267 C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC4=CC(=CC=C4)F 1 4.796 2 2 -0.715630736221733 7206266 C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC4=CC=CC=C4 1 4.591 2 2 -2.5949872311518 7206253 COC1=CC=CC(=C1)C2=NN=C(C=C2)SCC(=O)C3=CC=CC=C3 1 4.479 2 2 -0.459349564937043 7206246 COC1=CC=CC(=C1)C2=NN=C(C=C2)SCC(=O)N3CCC4=CC=CC=C43 1 4.14 3 2 -9.1378838382634 7206245 COC1=CC=CC(=C1)C2=NN=C(C=C2)SCC(=O)N3CCOCC3 1 2.176 3 3 -7.74954785403378 7206241 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)OC 1 2.698 4 4 0 -6.39113788427172 7206215 COC1=CC=CC(=C1)C2=NN=C(C=C2)SCC(=O)NC3CCCC3 1 3.685 3 2 -7.99478724152221 7206214 COC1=CC=CC(=C1)C2=NN=C(C=C2)SCC(=O)NC3CCCCC3 1 4.141 3 2 -8.34925575569029 7206192 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)F 1 3.483 5 1 -13.5319338752272 7206187 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F 1 4.818 3 1 -8.66597036862994 7206179 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F 1 3.867 3 3 -10.3974484888498 7206160 C1COCCN1C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)Br 1 2.941 3 2 -9.25093701781325 7206149 C1CCC(C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)Br 1 4.45 3 1 -9.49617640530168 7206128 CCC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=NN=C(S3)C 1 3.553 5 1 -13.3314940906165 7206087 COC1=CC=CC=C1C2=NN=C(C=C2)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 4.701 3 3 -6.83324609380529 7206079 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3OC 1 3.261 5 2 0 -17.7124826604676 7206075 CC1=CC(=NO1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3OC 1 2.998 4 3 0 -19.3596417499267 7206071 COC1=CC=CC=C1C2=NN=C(C=C2)SCC(=O)N3CCOCC3 1 2.176 3 3 -13.0849477230738 7206069 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3OC 1 2.698 4 4 0 -11.7265377533117 7206043 COC1=CC=CC=C1C2=NN=C(C=C2)SCC(=O)NC3CCCC3 1 3.685 3 2 -13.3301871105622 7206042 CC1=CC=C(C=C1)CSC2=NN=C(C=C2)C3=CC=CC=C3OC 1 5.293 2 1 -4.32739824353434 7206040 COC1=CC=CC=C1C2=NN=C(C=C2)SCC(=O)NC3CCCCC3 1 4.141 3 2 -13.6846556247303 7206037 COC1=CC=CC=C1C2=NN=C(C=C2)SCC3=CC=C(C=C3)F 1 5.012 2 1 -3.61552121806908 7206036 COC1=CC=CC=C1C2=NN=C(C=C2)SCC3=CC=CC=C3F 1 5.012 2 1 -6.36257321678384 7206034 COC1=CC=CC=C1C2=NN=C(C=C2)SCC3=CC(=CC=C3)F 1 5.012 2 1 -3.220412975687 7206032 CC1=CC(=CC=C1)CSC2=NN=C(C=C2)C3=CC=CC=C3OC 1 5.293 2 1 -3.83301378846316 7206031 COC1=CC=CC=C1C2=NN=C(C=C2)SCC3=CC=CC=C3 1 4.806 2 1 -5.31062614532634 7206013 CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)C3=CC=C(C=C3)OC 1 4.965 2 2 -1.8460020893119 7206012 CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)C3=CC=CC=C3 1 4.981 2 1 -2.22868344767711 7206011 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)C 1 3.764 5 1 -14.2438109006925 7206008 CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=NOC(=C3)C 1 3.501 4 2 -16.0792665844853 7206007 CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)N3CCCC4=CC=CC=C43 1 5.099 3 1 -9.3778473940952 7206004 CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)N3CCC4=CC=CC=C43 1 4.643 3 1 -10.9072177210035 7205987 CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCCO4 1 4.148 3 3 -11.109325514315 7205981 CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3CCCC3 1 4.187 3 1 -9.86151535078706 7205980 CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3CCCCC3 1 4.644 3 1 -10.2159838649551 7205978 CCSC1=NN=C(C=C1)C2=CC=C(C=C2)C 1 4.074 2 0 -0.566533688744752 7205958 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)OCC 1 3.61 5 2 0 -15.2047009583375 7205957 CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=NN=C(S3)C 1 2.943 5 2 0 -14.2712453156896 7205954 CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)N3CCOCC3 1 2.525 3 3 -10.7954653241508 7205933 CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3CCCCC3 1 4.49 3 2 -11.3951732258073 7205923 COC1=CC=CC=C1CNC(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.761 4 4 0 -15.2639983886615 7205910 CC1=CC(=NO1)NC(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.909 5 4 0 -18.0876695954656 7205909 C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.773 4 3 0 -10.1048412146155 7205908 CC1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.568 4 3 0 -12.7939508185199 7205907 C1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.317 4 3 0 -10.1048412146155 7205906 C1CCN(C1)C(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.86 4 3 0 -9.75037270044743 7205904 C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.777 4 3 0 -13.5515892532311 7205897 CSC1=NN=C(C=C1)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.134 3 2 -1.09370379799066 7205890 COC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)C3=CC=CS3 1 4.432 2 2 -6.0610749486569 7205866 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)OC 1 2.698 4 4 0 -8.6708322026807 7205831 COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)C3=CC=CS3)OC 1 4.416 2 3 -9.19738550684786 7205828 COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)C3=CC=C(C=C3)F)OC 1 4.668 2 3 -4.27043562203761 7205820 COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)C3=CC=CC=C3)OC 1 4.462 2 3 -5.77796021501221 7205812 COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3CCCC3)OC 1 3.668 3 3 -13.4107921181221 7205787 CC1=NN=C(S1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)Cl 1 3.275 5 1 -11.2700572642506 7205784 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)Cl 1 5.277 3 1 -7.55584870350838 7205771 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)Cl 1 4.326 3 3 -9.28732682372821 7205761 C1CCC(C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)Cl 1 4.366 3 1 -8.03951666020024 7205753 COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3 1 4.187 3 2 -10.8784475344278 7205744 C1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)C3=CC=CS3 1 4.449 2 1 -6.22001938235274 7205740 CC1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3 1 4.981 2 1 -1.90755229648296 7205728 COC1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3 1 4.479 2 2 -2.3205185056271 7205727 C1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)C3=CC=CC=C3 1 4.495 2 1 -2.99623132604055 7205721 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4 1 4.613 3 1 -10.0207768074228 7205716 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3 1 2.714 4 3 0 -8.80342535848681 7205713 CC1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3 1 3.674 3 1 -11.2116055337427 7205712 C1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3 1 3.422 3 1 -8.52249592983824 7205696 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4 1 3.662 3 3 -11.5838419306302 7205695 C1CCC(C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3 1 3.701 3 1 -10.3360317671023 7205676 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4=C(C=C(C=C4)C(=O)C)OC)C 1 4.471 4 3 0 -1.73820049520795 7205674 CC(=O)C1=CC(=C(C=C1)OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F)OC 1 3.704 4 3 0 -2.53807094141592 7205669 CC(=O)C1=CC(=C(C=C1)OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl)OC 1 4.163 4 3 0 -1.42794927629435 7205666 CC(=O)C1=CC(=C(C=C1)OC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl)OC 1 4.163 4 3 0 0.497898752148679 7205656 CC(=O)C1=CC(=C(C=C1)OC2=NC=NC3=C2C=NN3C4=CC=CC=C4)OC 1 3.499 4 3 0 -3.9164404774688 7205654 COC1=CC=CC=C1OC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 3.759 4 2 0.569879418188716 7205638 CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NNC(=O)C4=CC=CS4 1 2.825 6 1 0 -0.786232656896074 7205311 C1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=C(C=CC=C3F)F 1 2.939 3 3 -18.1612832350219 7205306 CC1=CC(=NO1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=C(C=CC=C3F)F 1 1.458 5 4 0 -31.3849628455544 7205293 C1COCCN1C(=O)CSC2=NN=C(O2)CNC(=O)C3=C(C=CC=C3F)F 1 0.636 4 4 0 -25.4514815241186 7205292 C1CCN(CC1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=C(C=CC=C3F)F 1 1.866 4 3 0 -23.883185074343 7205284 C1CCN(C1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC(=CC=C3)C(F)(F)F 1 1.941 4 3 0 -19.4170947747467 7205279 C1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=C(C=C3)F 1 2.733 3 3 -16.1253994483335 7205274 CC1=CC(=NO1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=C(C=C3)F 1 1.253 5 4 0 -29.7132944641316 7205271 C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=C(C=C3)F 1 2.442 4 3 0 -23.3465886997682 7205262 CC1CCN(CC1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=C(C=C3)F 1 1.912 4 3 0 -24.9006262968247 7205260 C1CCN(CC1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=C(C=C3)F 1 1.66 4 3 0 -22.2115166929202 7205259 C1CCN(C1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=C(C=C3)F 1 1.204 4 3 0 -21.8570481787522 7205251 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3CCCC3 1 3.134 4 3 0 -21.817582701121 7205239 C1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Cl 1 3.192 3 3 -15.015277783212 7205235 COC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3 1 2.511 3 4 0 -17.2502426829429 7205234 C1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3 1 2.528 3 3 -17.4812045967587 7205223 CC1=CC(=NO1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3 1 1.047 5 4 0 -31.2208190571062 7205222 C1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=NC=CS3 1 0.906 5 3 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-19.1864316548614 7202588 COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 2.721 2 5 0 -15.3442132813771 7202555 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)F 1 3.071 2 3 -9.98031005497503 7202446 CC1=CC(=CC=C1)CSC2=NN3C(=O)C(=NN=C3S2)C 1 3.868 4 1 -6.72007081229946 7202430 CC1=C(C=C(C=C1)NC(=O)CSC2=NN3C(=O)C(=NN=C3S2)C)Cl 1 3.586 5 2 0 -11.7960667372676 7202413 CC1CCN(CC1)C(=O)CSC2=NN3C(=O)C(=NN=C3S2)C 1 2.233 5 2 0 -16.1446942358034 7202409 CC1=NN=C2N(C1=O)N=C(S2)SCC(=O)N3CCCCC3 1 1.982 5 2 0 -13.455584631899 7200176 CCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4CC4 1 3.42 2 4 -3.73852612233599 7200143 C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCCN4CCCC4 1 4.038 4 1 -13.8882579160546 7200140 CNC(=O)CSC1=NC2=C(C(=O)N1CCOC)NC3=CC=CC=C32 1 1.75 4 3 0 -18.2289506302986 7200105 CC(C)(C)N1C(=C2CSCC2=N1)NC(=O)C3=CC4=CC=CC=C4O3 1 3.432 3 2 -1.23903017864619 7200097 CC(C)(C)N1C(=C2CSCC2=N1)NC(=O)COC3=CC=C(C=C3)OC 1 2.656 3 3 -6.9825252017428 7200072 COC1=C(C=C(C=C1)N2C3=C(C(=O)N(C=N3)CC=C)N=N2)OC 1 1.852 5 3 0 -10.2191935975626 7200069 CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)NC4=NOC(=C4)C)N=N2)Cl 1 2.194 7 3 0 -19.5942031445998 7200063 CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C=N3)CC=C)N=N2)Cl 1 3.035 5 1 -6.83014063812937 7200053 CC1=CC(=CC(=C1)N2C3=C(C(=O)N(C=N3)CC=C)N=N2)C 1 2.857 5 1 -6.05077243621687 7200044 CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C=N3)CC=C)N=N2)C 1 2.857 5 1 -5.25995536694423 7200038 CC1=CC(=CC=C1)N2C3=C(C(=O)N(C=N3)CC(=O)NC4=NOC(=C4)C)N=N2 1 1.529 7 3 0 -16.5921590022921 7200015 C=CCN1C=NC2=C(C1=O)N=NN2C3=CC=C(C=C3)Cl 1 2.549 5 1 -5.08954205225227 7200007 CC1=CC(=NO1)NC(=O)CN2C=NC3=C(C2=O)N=NN3C4=CC(=CC=C4)F 1 1.249 7 3 0 -16.7861334515167 7199976 CCOC(=O)CSC1=NC=NC2=C1C=NN2C3=C(C=C(C=C3)C)C 1 3.785 4 2 -11.8023089817364 7199975 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)OC)C 1 3.437 4 2 -10.9793748436692 7199971 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=NOC(=C4)C)C 1 3.505 6 2 0 -19.6941594812256 7199935 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SC)C 1 3.73 4 0 -2.49744355675632 7199916 CC1=CC(=NO1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl 1 3.197 6 2 0 -12.9719670192642 7199763 C1CCC(C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F 1 3.425 5 1 -9.97848207346433 7199481 CN1C2=C(C(=NC(=N2)C3CCCC3)SCCN4CCOCC4)C(=O)N(C1=O)C 1 2.27 5 3 0 -12.9133611830982 7199455 CCCCC1=NC2=C(C(=N1)SCCOC)C(=O)N(C(=O)N2C)C 1 2.221 4 3 0 -14.6959570207406 7199369 CC1=CC(=C(C=C1)NC(=O)NC(=O)COC2=CC=CC=C2C(=O)N)C 1 2.204 3 4 0 -9.00457588280925 7199294 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NCCC2=CC=CC=C2)OC(F)F 1 3.906 1 5 -11.6138359316677 7199245 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)N2CCCC3=CC=CC=C32)OC(F)F 1 4.315 1 5 -10.6889079270361 7199196 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CO2)OC(F)F 1 2.767 1 6 0 -13.5440612132964 7198682 CCN(CCO)CC1=CC(=O)OC2=CC3=C(CCC3)C=C12 1 2.8 1 3 -3.00159746135266 7198661 CC(C)C1=CC2=C(C=C1)OC(=O)C=C2CN3CCOCC3 1 2.815 1 3 -4.59689956237186 7198545 CC1=C(C=CC(=C1O)C(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O 1 2.887 2 5 0 5.04458839218571 7198542 CC1=C(C=CC(=C1O)C(=O)CN2CCN(CC2)CC3=CC=CC=C3)O 1 3.119 2 3 6.05015083351104 7198540 CCOC(=O)N1CCN(CC1)CC(=O)C2=C(C(=C(C=C2)O)C)O 1 1.787 2 5 0 1.59624536838266 7198537 CCOC(=O)N1CCN(CC1)CC(=O)C2=C(C=C(C=C2)O)O 1 1.3 2 5 0 0.398767956341206 7198534 CCOC(=O)C1CCN(CC1)CC(=O)C2=C(C(=C(C=C2)O)C)O 1 2.254 1 5 0.541170717015987 7198315 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C)C3=CC=C(C=C3)OC 1 3.374 0 5 -5.51788345534336 7198312 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C)C3=CC=CC=C3 1 3.39 0 4 -5.43415709131486 7198273 C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OCC(=O)N)OC2=O 1 2.215 1 4 -2.1411758992435 7198052 CC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)CCO 1 2.872 2 4 8.7368352355469 7198037 CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)C 1 4.119 2 3 9.13991817723922 7198016 CC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)C 1 3.411 2 3 8.85645848058758 7197826 CCOC1=CC=CC=C1C=NNC2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl 1 2.994 4 2 -0.36134300693399 7197667 CN1C(=C(C(=O)N(C1=O)C)S(=O)(=O)NCC2=CC=C(C=C2)Cl)N 1 4.3e-002 4 4 0 -7.04873978484039 7197662 CC1=CC=C(C=C1)CNS(=O)(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 -0.135 4 4 0 -8.87073847542721 7197659 CN1C(=C(C(=O)N(C1=O)C)S(=O)(=O)NCC2=CC=C(C=C2)F)N 1 -0.416 4 4 0 -8.15886144996196 7197657 CN1C(=C(C(=O)N(C1=O)C)S(=O)(=O)NCC2=CC=CC=C2Cl)N 1 4.3e-002 4 4 0 -10.8935310408991 7197649 CN1C(=C(C(=O)N(C1=O)C)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)N 1 -0.458 5 4 0 -14.5524904718977 7197643 CN1C(=C(C(=O)N(C1=O)C)S(=O)(=O)N2CCCC2)N 1 -1.538 4 4 0 -15.9225208564062 7197640 CCCCN(CC1=CC=CC=C1)S(=O)(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 0.914 4 4 0 -14.0385987422376 7197638 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 -6.6e-002 4 4 0 -13.4095941103169 7197635 COCCN1C(=O)C2=C(CCS2)N=C1SCC(=O)C3=CC=CC=C3 1 2.077 2 3 -13.6545970649338 7197607 CCN1C(=O)C2=C(CCS2)N=C1SCC3=CC=C(C=C3)F 1 3.09 2 1 -10.8322540669183 7197606 CCN1C(=O)C2=C(CCS2)N=C1SCC3=CC(=CC=C3)F 1 3.09 2 1 -10.3397515980115 7197604 CCN1C(=O)C2=C(CCS2)N=C1SCC3=CC=CC=C3 1 2.884 2 1 -12.3589459971632 7197588 CN1C(=O)C2=C(CCS2)N=C1SCC3=CC(=CC=C3)[N+](=O)[O-] 1 2.43 3 3 -13.8351304099533 7197580 CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2C)SCC3 1 3.022 2 1 -9.62137944789346 7197578 CN1C(=O)C2=C(CCS2)N=C1SCC3=C(C=CC=C3Cl)F 1 3.405 2 1 -12.1707058681119 7197576 CN1C(=O)C2=C(CCS2)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-] 1 2.43 3 3 -12.3075559168466 7197569 CN1C(=O)C2=C(CCS2)N=C1SCC3=CC=C(C=C3)Br 1 3.284 2 1 -9.84781918400404 7197558 COC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC2=CC(=C(C=C2)OC)OC)N 1 2.431 3 5 0 -8.97232697811468 7197555 COC1=CC=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.447 3 4 0 -5.55633783172849 7197550 COC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC2=CC=CC=C2OC)N 1 2.447 3 4 0 -7.99221395196667 7197489 CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC2=CC(=C(C=C2)OC)OC)N 1 2.933 3 4 0 -8.72813361787997 7197493 CC1=C(C=CC(=C1)S(=O)(=O)NC(=NCCC2=CC(=C(C=C2)OC)OC)N)OC 1 2.917 3 5 0 -7.7090421850219 7197497 COC1=C(C=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC)OC 1 2.414 3 6 0 -11.3108877240007 7197500 COC1=CC=CC=C1CCN=C(N)NS(=O)(=O)C2=C(C=CC(=C2)F)F 1 2.875 3 3 -8.81821019454771 7197507 CC1=C(C=C(C=C1)S(=O)(=O)NC(=NCCC2=CC=CC=C2OC)N)C 1 3.436 3 3 -7.60811615296574 7197512 COC1=CC=CC=C1CCN=C(N)NS(=O)(=O)C2=CC=CC=C2 1 2.464 3 3 -8.81244322798053 7197547 COC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC2=CC=CC=C2)N 1 2.464 3 3 -5.54483379429054 7197542 COC1=CC=CC=C1CCN=C(N)NS(=O)(=O)C2=CC=CC=C2F 1 2.669 3 3 -10.1287362838459 7197540 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC(=NCCC2=CC=CC=C2OC)N 1 2.431 3 5 0 -9.20329100867691 7197531 CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC2=CC=CC=C2OC)N 1 2.95 3 3 -7.74802059173197 7197528 COC1=CC=CC=C1CCN=C(N)NS(=O)(=O)C2=CC=CS2 1 2.25 3 3 -9.66518575007246 7197515 COC1=CC=CC=C1CCN=C(N)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.669 3 3 -7.03614356626672 7197486 COC1=C(C=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC=CS2)OC 1 2.234 3 4 0 -10.5479045496957 7197482 COC1=C(C=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC=C(C=C2)F)OC 1 2.653 3 4 0 -8.01625659241473 7197476 COC1=C(C=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC=CC=C2)OC 1 2.447 3 4 0 -9.62414325711613 7197471 CC1=C(C=C(C=C1)S(=O)(=O)NC(=NCCC2=CC(=C(C=C2)OC)OC)N)C 1 3.42 3 4 0 -8.72806708333539 7197450 CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC2=CC=C(C=C2)OC)N 1 2.95 3 3 -4.73001888951094 7197447 COC1=CC=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC=CS2 1 2.25 3 3 -6.54978982132665 7197441 COC1=CC=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 3.372 3 3 -3.76702372613771 7197435 COC1=CC=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.669 3 3 -4.01814186404569 7197429 CC1=C(C=C(C=C1)S(=O)(=O)NC(=NCCC2=CC=C(C=C2)OC)N)C 1 3.436 3 3 -4.59011445074471 7197426 COC1=CC=C(C=C1)CCN=C(N)NS(=O)(=O)C2=C(C=CC(=C2)F)OC 1 2.653 3 4 0 -6.18609457064075 7197423 COC1=CC=C(C=C1)CCN=C(N)NS(=O)(=O)C2=C(C=CC(=C2)F)F 1 2.875 3 3 -5.80020849232668 7197416 CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC2=CC=C(C=C2)Cl)N 1 3.631 3 2 -2.49505398977998 7197410 C1=CC(=CC=C1CCN=C(N)NS(=O)(=O)C2=CC=C(C=C2)F)Cl 1 3.35 3 2 -1.78317696431473 7197407 C1=CC=C(C=C1)S(=O)(=O)NC(=NCCC2=CC=C(C=C2)Cl)N 1 3.144 3 2 -3.39106362901614 7197404 CC1=C(C=C(C=C1)S(=O)(=O)NC(=NCCC2=CC=C(C=C2)Cl)N)C 1 4.117 3 2 -2.35514955101375 7197398 C1=CC=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC=CC=C2F 1 2.685 3 2 -7.51258327726035 7197390 C1=CC=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC=CS2 1 2.266 3 2 -7.04903274348689 7197387 C1=CC=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 3.388 3 2 -4.33728541878557 7197384 C1=CC=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.685 3 2 -4.41999055968115 7197378 C1=CC=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC=CC=C2 1 2.48 3 2 -6.3209086864308 7197374 CC1=C(C=C(C=C1)S(=O)(=O)NC(=NCCC2=CC=CC=C2)N)C 1 3.452 3 2 -4.99196314638017 7197266 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC(=NCCC3=CNC4=CC=CC=C43)N 1 3.682 4 2 -5.63822557287839 7197263 C1=CC=C2C(=C1)C(=CN2)CCN=C(N)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.979 4 2 -5.72093071377397 7197248 C1=CC=C2C(=C1)C(=CN2)CCN=C(N)NS(=O)(=O)C3=C(C=CC(=C3)F)F 1 3.184 4 2 -7.50299734205496 7197245 CC1=NN=C2N(C1=O)N=C(S2)SCC3=CC(=CC=C3)Cl 1 4.047 4 1 -5.36433128168804 7197243 CC1=CC=C(C=C1)CSC2=NN3C(=O)C(=NN=C3S2)C 1 3.868 4 1 -7.31184949389541 7197242 CC1=NN=C2N(C1=O)N=C(S2)SCC3=CC=CC=C3Cl 1 4.047 4 1 -8.77153257413736 7197240 CC1=NN=C2N(C1=O)N=C(S2)SCC3=CC=C(C=C3)Cl 1 4.047 4 1 -5.30155420897479 7197239 CC1=CC=CC=C1CSC2=NN3C(=O)C(=NN=C3S2)C 1 3.868 4 1 -9.98475485282905 7197237 CC1=NN=C2N(C1=O)N=C(S2)SCC3=CC=C(C=C3)Br 1 4.131 4 1 -6.75821395407623 7197236 CC1=NN=C2N(C1=O)N=C(S2)SCC(=O)NC3=CC=C(C=C3)OC 1 2.419 5 3 0 -12.4525922059867 7197234 CC1=NN=C2N(C1=O)N=C(S2)SCC(=O)NC3=CC(=CC=C3)OC 1 2.419 5 3 0 -12.095886811299 7197232 CC1=NN=C2N(C1=O)N=C(S2)SCC(=O)NC3=CC=CC=C3OC 1 2.419 5 3 0 -15.5713407443979 7197230 CC1=NN=C2N(C1=O)N=C(S2)SCC(=O)NC3=CC=C(C=C3)Cl 1 3.1 5 2 0 -10.2176273062558 7197229 CC1=NN=C2N(C1=O)N=C(S2)SCC(=O)NC3=CC(=CC=C3)Cl 1 3.1 5 2 0 -9.29075674013712 7197225 CC1=CC=CC=C1NC(=O)CSC2=NN3C(=O)C(=NN=C3S2)C 1 2.921 5 2 0 -14.7926153671687 7197224 CC1=NN=C2N(C1=O)N=C(S2)SCC(=O)N3CCC4=CC=CC=C43 1 2.716 5 2 0 -16.2393889223613 7197210 CN1C2=C(C=N1)C(=NC=N2)NNC(=O)CC3=CC=CC4=CC=CC=C43 1 1.752 6 1 0 -2.87720268759899 7197208 CN1C2=C(C=N1)C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)Cl 1 2.137 6 1 0 -0.721118373607851 7197203 CN1C2=C(C=N1)C(=NC=N2)NNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.137 6 1 0 0.966910296006434 7197194 CN1C2=C(C=N1)C(=NC=N2)NC3=CC(=C(C=C3)Cl)Cl 1 2.88 5 0 5.75669659503485 7197189 CCOC(CNC1=NC=NC2=C1C=NN2C)OCC 1 0.611 5 2 0 -2.3760917171993 7197187 CN1C2=C(C=N1)C(=NC=N2)NCC(OC)OC 1 -8.7e-002 5 2 0 -4.75359350045355 7197035 CC1=C(C=C(C=C1)OS(=O)(=O)C2=CN(C(=O)N(C2=O)C)C)C 1 1.211 2 5 0 -11.6235227622339 7197032 CC1=CC=CC=C1OS(=O)(=O)C2=CN(C(=O)N(C2=O)C)C 1 0.725 2 5 0 -10.7533110256125 7197013 CCC1=CC=C(C=C1)OS(=O)(=O)C2=CN(C(=O)N(C2=O)C)C 1 1.181 2 5 0 -11.7744982280836 7197007 CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)OC2=CC=CC=C2 1 0.239 2 5 0 -12.0232941042733 7196922 COC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4CCCCC4 1 2.732 5 3 0 -5.82940312845938 7196918 C1=CSC(=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N 1 2.445 5 2 0 -4.4347434011539 7196904 CC(C)C1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=C(C=C3)F)C(=O)N 1 1.957 5 2 0 -5.79015944466823 7196833 CC1=CC(=NO1)NC(=O)CSC2=NN=CC(=O)N2N 1 -0.244 6 3 0 -24.2734731192624 7196831 CC1=CSC(=N1)NC(=O)CSC2=NN=CC(=O)N2N 1 -0.103 6 2 0 -16.3457792236476 7196830 C1=CSC(=N1)NC(=O)CSC2=NN=CC(=O)N2N 1 -0.385 6 2 0 -16.9844939014888 7196827 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=CC(=O)N3N 1 1.729 6 2 0 -11.9438778577725 7196826 C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NN=CC(=O)N3N 1 1.243 6 2 0 -12.6698375138965 7196813 C1=CC=C(C=C1)CNC(=O)CSC2=NN=CC(=O)N2N 1 0.624 5 2 0 -19.7044025377067 7196801 C1=CC(=C(C=C1C(F)(F)F)NC(=O)CSC2=NN=CC(=O)N2N)Cl 1 2.224 5 2 0 -11.2623761544336 7196795 C1=CC(=CC(=C1)NC(=O)CSC2=NN=CC(=O)N2N)C(F)(F)F 1 1.56 5 2 0 -10.6487114179528 7196794 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NN=CC(=O)N2N 1 1.56 5 2 0 -15.8760096741423 7196792 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=CC(=O)N3N 1 0.403 5 4 0 -19.4163947264078 7196788 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=CC(=O)N3N 1 0.386 5 4 0 -17.9710935728394 7196787 COC1=C(C=C(C=C1)NC(=O)CSC2=NN=CC(=O)N2N)OC 1 0.585 5 4 0 -20.3446427566105 7196784 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=CC(=O)N2N 1 0.585 5 4 0 -17.6758344330917 7196782 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=CC(=O)N2N 1 0.95 5 3 0 -16.1937133684297 7196709 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=CC(=O)N3N 1 1.354 5 2 0 -17.684916606188 7196703 CC1=NN=C(N(C1=O)N)SCC(=O)C2=CC=C(C=C2)Cl 1 1.98 4 2 0 -7.39597118544688 7196696 CC1=CC=C(C=C1)CSC2=NN=C(C(=O)N2N)C 1 2.129 4 1 -10.6415963282323 7196695 CC1=CC(=C(C=C1)C)CSC2=NN=C(C(=O)N2N)C 1 2.615 4 1 -10.3072935062129 7196692 CC1=NN=C(N(C1=O)N)SCC2=CC=CC=C2Cl 1 2.307 4 1 -12.1012794084742 7196691 CC1=CC(=CC=C1)CSC2=NN=C(C(=O)N2N)C 1 2.129 4 1 -10.0498176466363 7196687 CC1=CC=CC=C1CSC2=NN=C(C(=O)N2N)C 1 2.129 4 1 -13.3145016871659 7196680 CC1=NN=C(N(C1=O)N)SCC2=CC=CC=C2 1 1.643 4 1 0 -11.2681146386781 7196678 CC1=CSC(=N1)NC(=O)CSC2=NN=C(C(=O)N2N)C 1 -2.4e-002 6 2 0 -16.0119406017546 7196676 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(C(=O)N3N)C 1 1.808 6 2 0 -11.6100392358795 7196674 CC1=NN=C(N(C1=O)N)SCC(=O)NC2=NC3=CC=CC=C3S2 1 1.321 6 2 0 -12.1477022976696 7196670 CC1=NN=C(N(C1=O)N)SCC(=O)NCC2=CC=CC=C2Cl 1 1.367 5 2 0 -19.7310918471836 7196649 CC1=NN=C(N(C1=O)N)SCC(=O)NC2=C(C=C(C=C2)F)F 1 1.107 5 2 0 -14.1823211531929 7196648 CC1=NN=C(N(C1=O)N)SCC(=O)NC2=CC=C(C=C2)F 1 0.901 5 2 0 -13.7805117658854 7196644 CC1=NN=C(N(C1=O)N)SCC(=O)NC2=CC=CC=C2F 1 0.901 5 2 0 -15.7472399383643 7196642 CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C(=O)N2N)C 1 2.551 5 2 0 -15.3155293580552 7196640 CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C(=O)N2N)C 1 1.638 5 2 0 -14.7318269271297 7196638 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(C(=O)N2N)C 1 1.668 5 2 0 -16.4593270693795 7196636 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C(=O)N2N)C 1 1.182 5 2 0 -14.6806853856845 7196635 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(C(=O)N2N)C 1 1.182 5 2 0 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C1COC2=C(O1)C=C3C(=C2)SC(=N3)NC(=O)COC4=CC=CC=C4 1 2.861 2 4 -6.59823415956839 7189917 C1OC2=C(O1)C=C3C(=C2)N=C(S3)NC(=O)COC4=CC=CC=C4 1 2.843 2 4 -5.15293300599995 7189900 COC1=C(C(=CC=C1)OC)C(=O)NC2=NC3=CC4=C(C=C3S2)OCO4 1 2.975 2 5 0 -6.69612894684625 7189883 COC1=CC=CC=C1C(=O)NC2=NC3=CC4=C(C=C3S2)OCCO4 1 3.009 2 4 -7.66390313162403 7189882 COC1=CC=CC=C1C(=O)NC2=NC3=CC4=C(C=C3S2)OCO4 1 2.991 2 4 -6.2186019780556 7189877 CC(C)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC3 1 3.527 2 1 -0.398492622439006 7189863 C1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)NC3=NC4=CC5=C(C=C4S3)OCO5 1 2.168 3 5 0 -12.3384513778396 7189861 CCC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 3.342 3 3 -12.2337934007412 7189860 C1CCC(CC1)C(=O)NC2=NC3=CC4=C(C=C3S2)OCO4 1 3.47 2 3 -0.309996590673039 7189838 COC1=CC(=C(C=C1)C(=O)NC2=NC3=CC4=C(C=C3S2)OCCO4)OC 1 2.993 2 5 0 -6.07635729621878 7189836 COC1=CC(=C(C=C1)C(=O)NC2=NC3=CC4=C(C=C3S2)OCO4)OC 1 2.975 2 5 0 -4.63105614265034 7189775 CNC(=O)C1=C(SC=C1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2 1 1.235 2 4 0 -20.1431159556383 7189774 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C=CS2)C(=O)N 1 1.029 2 4 0 -16.7518054727784 7189767 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NN=C(O2)C3=CC=CO3 1 1.476 3 5 0 -12.1294686500415 7189763 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C=CS2)C#N 1 1.906 2 3 0 -18.087720233124 7189699 CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 1.391 3 4 0 -28.7582683356198 7189696 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 1.067 2 5 0 -17.5346044752256 7189656 CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 1.273 2 5 0 -18.9951501844394 7189654 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=CC3=C2C(=O)NC3=O 1 1.067 2 5 0 -18.7120410431562 7189652 CC1=C(SC(=N1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2)C(=O)C 1 1.551 2 4 0 -16.8664842221286 7189650 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F 1 3.39 2 3 -7.75502617155768 7189641 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC(=CS2)C3=CC=CS3 1 3.138 2 3 -10.8158447645774 7189638 CC1=NC2=C(S1)C=CC(=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 2.585 2 3 -14.925151629223 7189636 CCOC1=C2C(=CC=C1)SC(=N2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 3.198 2 4 -16.5525562696505 7189631 CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 2.585 2 3 -12.995341647183 7189600 CC1=CC(=C2C(=C1)N=C(S2)NC(=O)CN3C(=O)CCC3=O)C 1 1.647 3 3 0 -9.36257191360654 7189599 CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)CN3C(=O)CCC3=O 1 1.647 3 3 0 -10.7921040064058 7188831 CC1=CC=C(C=C1)S(=O)(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.045 3 4 0 -14.1956580950266 7188830 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CCNS(=O)(=O)C3=CC=CC=C3 1 1.559 3 4 0 -15.384699196311 7188828 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC=CS3 1 1.809 3 3 0 -18.7166010219084 7188827 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC=CO3 1 1.251 3 4 0 -17.1595843831466 7188823 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CCNC(=O)CCC3=CC=CC=C3 1 2.347 3 3 -23.1746812532745 7188819 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CCNC(=O)CC3=CC=C(C=C3)Cl 1 2.555 3 3 -17.2463835545329 7188818 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CCNC(=O)CC3=CC=C(C=C3)F 1 2.096 3 3 -18.3565052196544 7188817 COC1=CC=C(C=C1)CC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 1.874 3 4 0 -19.4813484542638 7188812 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CCNC(=O)COC3=CC=CC=C3 1 1.691 3 4 0 -19.5397608511666 7188800 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC(=CC=C3)F 1 2.061 3 3 -16.5182888447866 7188799 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC=CC=C3F 1 2.061 3 3 -19.3758841704944 7188786 C1CCC(C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 1.862 3 3 0 -17.6486880764627 7188785 C1CC1C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 0.95 3 3 0 -21.3978351963705 7188782 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC=CS3 1 1.793 3 4 0 -18.7708698093855 7188775 C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)CCNC(=O)C3=CC=CS3 1 2.015 3 3 -17.8820864802521 7188774 C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)CCNC(=O)C3=CC=CO3 1 1.457 3 4 0 -16.3250698414903 7188759 C1CC1C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 1.614 3 3 0 -16.7339368516932 7188588 COC(=O)CCCC[C@H]1[C@H]([C@@H](CS1)NC(=O)OC)NC(=O)OC 1 1.56 2 6 0 -16.6563867586798 7186976 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)N(C)C3CCCCC3 1 3.874 1 5 -0.1235620612426 7186969 CCN(C1CCCCC1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C 1 4.222 1 5 0.134856252932812 7186963 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NCCC3=CC=CC=C3 1 3.714 1 5 -2.54172803924523 7186945 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC3=CC=CC=C3 1 3.386 1 5 1.46920229820576 7186940 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3 1 3.571 2 5 0 -2.49849447540084 7186873 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3 1 3.258 1 6 0 -0.798176992007945 7186300 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCCOC2=CC=CC=C2 1 2.93 1 6 0 -19.098723411838 7186232 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CCCOC3=CC=CC=C3 1 3.381 3 4 0 -12.8958668937389 7186025 CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NC2=NC(=CS2)C)C 1 1.048 4 4 0 -20.8413146861169 7185862 C1=CC=C(C=C1)OCCCC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.877 3 7 0 -17.8210301592193 7185847 CC1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)NC3=CC=CC=C3C 1 3.859 4 2 -21.4255697838704 7185833 CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)CC3=CC=CC=C3)Cl 1 4.038 4 2 -19.0555394644152 7185813 CC1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)NC3=C(C=C(C=C3)C)C 1 4.346 4 2 -22.0813362027333 7185811 CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)CC3=CC=CC=C3)C 1 3.859 4 2 -22.249736415303 7185808 CCC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C(=NN2)CC3=CC=C(C=C3)OC 1 3.813 4 3 0 -18.3713739936408 7185789 CC1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)NC3=C(C=CC=C3C)C 1 4.346 4 2 -21.0804040891588 7185788 CC1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)NC3=CC=CC=C3Cl 1 4.038 4 2 -18.6719161421182 7185734 CCOC1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)NC3=CC=CC=C3 1 3.219 4 3 0 -20.0084239127698 7185732 COC1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)NC3=CC=CC=C3 1 2.871 4 3 0 -19.2422007610618 7185730 CC1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)NC3=CC=CC=C3 1 3.373 4 2 -18.8292345519177 7185728 C1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)NC3=CC=CC=C3 1 2.887 4 2 -19.9370809187455 7185513 CC1=CSC(=N1)NC(=O)CSC2=NC(=O)NC3=C2CCCC3 1 1.938 4 2 0 -19.7627721384552 7185429 CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC(=O)NC3=C2CCCC3 1 2.323 4 4 0 -25.0263514534145 7185004 C1=CC(=CC=C1F)S(=O)(=O)C2=CC3=C(C=CC(=C3)C(=O)O)OC2=O 1 2.541 0 6 -8.58943515804607 7185002 C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=CC(=C3)C(=O)O)OC2=O 1 2.336 0 6 -10.1973218227475 7184766 CCN1CCN(CC1)C2=C(C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.251 3 2 -1.11921967498605 7184632 CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)NC4=CC=C(C=C4)OC 1 2.332 5 3 0 -16.4823583413256 7184635 CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)NCC4=CC(=CC=C4)OC 1 2.339 5 3 0 -21.6736957991813 7184630 CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)NCC4=CC=CC=C4OC 1 2.339 5 3 0 -23.7791924886417 7184628 CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)NCCC4=CC=CC=C4 1 2.677 5 2 0 -21.4752298413455 7184615 C1OC2=C(O1)C=C(C=C2)C(=O)NCCSC3=NC=C(N3)C4=CC=C(C=C4)F 1 3.44 3 3 -7.66831815300048 7184449 C1=CC=C(C=C1)C2=CN=C(N2)SCCNC(=O)C3=CC=CO3 1 2.862 3 2 -6.47162958781142 7184448 COC1=CC=C(C=C1)C2=CN=C(N2)SCCNC(=O)C3=CC4=C(C=C3)OCO4 1 3.218 3 4 0 -8.79316138760987 7184443 CCN1CCC2(CC1)N=C(C(=S)N2C(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)F 1 5.243 3 1 0.944844489332892 7184080 C1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)C4=CC=C(O4)Br 1 3.119 3 2 -6.1706319368711 7184040 CC1=C(NC(=O)N=C1)SCC(=O)C2=CC=C(C=C2)F 1 2.823 2 2 -8.10377247379054 7184030 CC1=CSC(=N1)NC(=O)CSC2=C(C=NC(=O)N2)C 1 1.278 4 2 0 -15.6096202249767 7184028 CC1=C(NC(=O)N=C1)SCC(=O)NC2=NC=CS2 1 0.995 4 2 0 -16.060038308484 7184019 CC1=CC(=NC(=O)N1)SCC2=C(C=C(C=C2)Cl)Cl 1 3.88 2 1 -8.42643257701326 7184018 CC1=CC(=NC(=O)N1)SCC2=CC(=C(C=C2)Cl)Cl 1 3.88 2 1 -8.00465441882066 7184017 CC1=CC(=NC(=O)N1)SCC2=CC=CC=C2Cl 1 3.216 2 1 -10.9739594506499 7184013 CC1=CC(=NC(=O)N1)SCC2=C(C=CC=C2Cl)F 1 3.421 2 1 -11.2835275146966 7184012 CC1=CC(=NC(=O)N1)SCC2=CC=C(C=C2)Br 1 3.3 2 1 -8.96064083058881 7184011 CC1=CC(=NC(=O)N1)SCC2=CC=C(C=C2)Cl 1 3.216 2 1 -7.50398108548737 7184010 CC1=CC(=NC(=O)N1)SCC2=CC(=CC=C2)Cl 1 3.216 2 1 -7.56675815820061 7184008 CC1=CC(=NC(=O)N1)SCC(=O)C2=CC=C(C=C2)Cl 1 2.888 2 2 -6.8793243102473 7183993 CC1=CC(=NC(=O)N1)SCC2=CC(=CC=C2)[N+](=O)[O-] 1 2.446 3 3 -12.9479520565381 7183990 CC1=CC(=NC(=O)N1)SCC2=CC=C(C=C2)C(F)(F)F 1 3.493 2 1 -5.73021288874189 7183989 CC1=CC(=NC(=O)N1)SCC2=CC(=CC=C2)C(F)(F)F 1 3.493 2 1 -6.46281662201347 7183979 CC1=CC(=NC(=O)N1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.118 3 4 0 -12.1471833621587 7183965 CC1=CC(=NC(=O)N1)SCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.446 3 3 -11.4203775634314 7183962 CC1=CC=C(C=C1)C(=O)CSC2=NC(=O)NC(=C2)C 1 2.71 2 2 -8.88961959516793 7183952 CC1=CC=CC=C1CSC2=NC(=O)NC(=C2)C 1 3.037 2 1 -12.1871817293416 7183951 CC1=CC(=NC(=O)N1)SCC(=O)C2=CC=C(C=C2)OC 1 2.207 2 3 -9.11428920997826 7183876 CC1=CC=C(C=C1)CSC2=NC(=O)NC(=C2)C 1 3.037 2 1 -9.51427637040799 7183873 CC1=CC(=NC(=O)N1)SCC2=CC=C(C=C2)F 1 2.757 2 1 -8.61410275060894 7183872 CC1=CC(=NC(=O)N1)SCC2=CC=CC=C2F 1 2.757 2 1 -11.1927417523113 7183690 CCOC(=O)C1CCN(CC1)C2=C3C=C(C=CC3=NC=C2C(=O)C4=CC=CC=C4)Cl 1 4.923 2 3 1.19146275785399 7183668 CCN1CCN(CC1)C2=C(C=NC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OCC 1 4.221 3 2 1.32780446092423 7183662 CCN1CCN(CC1)C2=C3C=C(C=CC3=NC=C2C(=O)C4=CC=C(C=C4)OC)OCC 1 4.204 3 3 1.42974002673738 7183501 CC1=CC(=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N)C 1 2.54 6 2 0 -21.547532514421 7183499 CC1=CC=C(C=C1)CNC(=O)C2=C(N(N=N2)CC(=O)NC3=CC(=CC(=C3)C)C)N 1 2.705 6 2 0 -21.9222537735172 7183455 CC1=CC(=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N)C 1 1.959 6 2 0 -26.6794641101721 7183450 CC1=CC(=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N)C 1 2.54 6 2 0 -23.92110961257 7183443 CC1=CC(=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CO3)N)C 1 1.401 6 3 0 -25.9846989425375 7179208 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)NCCCCCC(=O)O 1 2.682 1 6 0 -13.5394071085883 7178592 C1CN(C2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC(=O)NC4=CC(=CC=C4)F 1 2.382 2 4 -11.9891983353112 7178551 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7151125 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=CN2CC3=CC=CO3 1 2.375 3 4 0 -13.8869966905019 7151124 COC1=CC(=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC=CO3)OC 1 2.375 3 4 0 -15.7943645691689 7151123 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC=CO3 1 2.74 3 3 -12.40487562584 7151118 C1=COC(=C1)CN2C=CN=C2SCC(=O)NC3=CC=C(C=C3)F 1 2.613 3 2 -10.5138092395226 7151117 C1=CC(=CC(=C1)F)NC(=O)CSC2=NC=CN2CC3=CC=CO3 1 2.613 3 2 -9.53207482588216 7151109 CCOC(=O)CNC(=O)CSC1=NC=CN1CC2=CC=CO2 1 0.887 3 4 0 -19.4101224111944 7151104 CCCNC(=O)CSC1=NC=CN1CC2=CC=CO2 1 1.704 3 2 0 -16.8955537803536 7151102 C1OC2=C(O1)C=C(C=C2)CN3C=CN=C3SCC(=O)N 1 1.212 3 3 0 -11.3864842522139 7151085 COCCNC(=O)CSC1=NC=CN1CC2=CC3=C(C=C2)OCO3 1 1.287 3 4 0 -20.0250689842154 7151082 C1=CC(=CC=C1CN2C=CN=C2SCC(=O)N)Cl 1 2.108 3 1 -7.72057475735663 7151062 CNC(=O)CSC1=NC=CN1CC2=CC=C(C=C2)Cl 1 2.314 3 1 -10.5555708163648 7151061 CC1=NN=C(S1)NC(=O)CSC2=NC=CN2CC3=CC=C(C=C3)OC 1 1.944 5 2 0 -18.5322399015628 7151057 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC=CN2CC3=CC=C(C=C3)OC 1 2.33 4 3 0 -14.5202934706911 7151045 COC1=CC=C(C=C1)CN2C=CN=C2SCC(=O)NC3CCCCC3 1 3.491 3 2 -15.0114783410125 7151044 CCCNC(=O)CSC1=NC=CN1CC2=CC=C(C=C2)OC 1 2.506 3 2 -17.1728167869078 7151024 CC1=CC=C(C=C1)CN2C=CN=C2SCC(=O)NC3CCCC3 1 3.538 3 1 -14.2440436177002 7151020 CC1=NN=C(S1)NC(=O)CSC2=NC=CN2CC3=CC=C(C=C3)F 1 2.166 5 1 -17.4073966669535 7151015 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC=CN2CC3=CC=C(C=C3)F 1 2.552 4 2 -13.3954502360817 7150995 CC1=NN=C(S1)NC(=O)CSC2=NC=CN2CC3=CC=CC=C3 1 1.961 5 1 0 -18.9340885971983 7150991 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC=CN2CC3=CC=CC=C3 1 2.346 4 2 -15.0195363928513 7150980 C1CCC(C1)NC(=O)CSC2=NC=CN2CC3=CC=CC=C3 1 3.052 3 1 -15.0588585224798 7150958 COC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)NCC3=CC=CO3)OC 1 2.375 3 4 0 -16.1688986969647 7150956 COC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)NCC3=CC=C(C=C3)F)OC 1 3.399 3 3 -13.3035349969569 7150955 COC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)NCC3=CC=CC=C3)OC 1 3.193 3 3 -14.8302269272018 7150953 COC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)NC3CCCC3)OC 1 3.012 3 3 -13.294408952375 7150930 COC1=CC=CC=C1N2C=CN=C2SCC(=O)NCC3=CC=CO3 1 2.391 3 3 -17.0673895293224 7150925 CC(C)(C)NC(=O)CSC1=NC=CN1C2=CC=CC=C2OC 1 2.557 3 2 -16.530838818412 7150916 CC1=CC(=C(C=C1)C)N2C=CN=C2SCC(=O)N 1 2.409 3 1 -6.47836601877034 7150886 CC1=CC=CC=C1N2C=CN=C2SCC(=O)NCC3=CC=CO3 1 2.894 3 2 -15.6348617515811 7150883 CC1=CC=CC=C1N2C=CN=C2SCC(=O)NC3CCCC3 1 3.531 3 1 -12.6629777804666 7150870 COC1=CC=CC(=C1)C(=O)COC2=CC=CN3C2=NC=C3C(=O)C4=CC(=CC=C4)OC 1 3.609 2 5 0 -8.06883022184057 7150806 CC1=CC=CN2C1=NC(=C2)CCNS(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.981 3 4 0 -13.8031836321012 7150804 CC1=CC=CN2C1=NC(=C2)CCNS(=O)(=O)C3=CC=CS3 1 1.801 3 2 0 -11.2415566575067 7150803 CC1=CC=CN2C1=NC(=C2)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.909 4 4 0 -10.4130054328981 7150797 CC1=CC=CN2C1=NC(=C2)CCNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.909 4 4 0 -11.5806242108611 7150796 CC1=CC2=NC(=CN2C=C1)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.8 3 4 0 -12.7753547275487 7150792 CC1=CC2=NC(=CN2C=C1)CCNS(=O)(=O)C3=CC4=C(CCCC4)C=C3 1 3.527 3 2 -12.5344795397227 7150791 CC1=CC2=NC(=CN2C=C1)CCNS(=O)(=O)C3=CC(=C(C=C3)F)C(F)(F)F 1 3.162 3 2 -8.1653145920954 7150789 CC1=CC2=NC(=CN2C=C1)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.909 4 4 0 -10.6803315591524 7150788 CC1=CC2=NC(=CN2C=C1)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.922 3 2 -7.76277651264362 7150784 CC1=CC2=NC(=CN2C=C1)CCNS(=O)(=O)C3=CC=C(C=C3)C(=O)C 1 1.754 3 3 0 -13.2078425441981 7150783 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=CN3C=CC=CC3=N2 1 1.909 4 4 0 -11.7300997855922 7150781 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC2=CN3C=CC=CC3=N2 1 1.86 3 3 0 -10.2196310191071 7150779 C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NCCC3=CN4C=CC=CC4=N3 1 3.046 3 2 -6.04595825326969 7150776 C1=CC2=NC(=CN2C=C1)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.422 4 4 0 -11.1348394456122 7150768 C1=CC2=NC(=CN2C=C1)CCNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.422 4 4 0 -12.3024582235752 7150757 CC1=CC=CN2C1=NC(=C2)CCNC(=O)C3=CC=CS3 1 2.265 3 1 -12.753586853882 7150755 CC1=CC=CN2C1=NC(=C2)CCNC(=O)C3=CC=CO3 1 1.706 3 2 0 -11.1965702151202 7150753 CC1=CC=CN2C1=NC(=C2)CCNC(=O)CC3=CC=CS3 1 2.299 3 1 -15.9912065656437 7150752 CC1=CC2=NC(=CN2C=C1)CCNC(=O)COC3=CC=CC=C3 1 2.146 3 2 -13.5510413473463 7150742 CC1=CC2=NC(=CN2C=C1)CCNC(=O)C3=CC=C(C=C3)OC 1 2.295 3 2 -11.9627058989233 7150733 CC1=CC2=NC(=CN2C=C1)CCNC(=O)CC3=CC=CS3 1 2.299 3 1 -16.1611384653733 7150730 COC1=CC=C(C=C1)C(=O)NCCC2=CN3C=CC=CC3=N2 1 1.809 3 2 0 -12.417213785383 7150722 C1=CC2=NC(=CN2C=C1)CCNC(=O)CC3=CC=CS3 1 1.813 3 1 0 -16.7130405783578 7150721 CC1=CC=CN2C1=NC(=C2)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.674 3 2 -5.50324585545534 7150716 CC1=CC2=NC(=CN2C=C1)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.674 3 2 -5.81301565940654 7150712 CC1=CC2=NC(=CN2C=C1)CNC(=O)C3=CC=CS3 1 2.016 3 1 -12.4529074943768 7150700 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 2.597 2 5 0 -16.3974819097441 7150699 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)CC2=CC=CC3=CC=CC=C32 1 2.011 2 5 0 -13.1052797416232 7150696 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)CC2=CC=C(C=C2)OC 1 1.086 2 6 0 -15.31307875727 7150694 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)/C=C/C2=CC(=C(C=C2)OC)OC 1 1.503 2 7 0 -18.0053172655703 7150690 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC3=CC=CC=C3C=C2 1 1.976 2 5 0 -12.971587083043 7150688 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C(F)(F)F 1 2.01 2 5 0 -11.2902330534338 7150687 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)C(F)(F)F 1 2.01 2 5 0 -12.5227943816441 7150686 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2C(F)(F)F 1 2.01 2 5 0 -12.9073545943976 7150684 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.627 3 7 0 -13.9888276285438 7150678 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 0.962 3 7 0 -16.4729829578597 7150676 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)Br)Cl 1 2.481 2 5 0 -11.2650534926674 7150674 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.397 2 5 0 -11.2615594218028 7150673 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.397 2 5 0 -8.79907940152307 7150668 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)Br 1 1.816 2 5 0 -15.232754496592 7150667 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2Br 1 1.816 2 5 0 -12.9844055867487 7150665 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)Cl 1 1.732 2 5 0 -13.2017113669701 7150664 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2Cl 1 1.732 2 5 0 -13.14461707032 7150663 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)F 1 1.273 2 5 0 -14.1741229153008 7150662 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)F 1 1.273 2 5 0 -14.8500916978255 7150661 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2F 1 1.273 2 5 0 -13.756025601623 7150660 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-] 1 2.065 2 8 0 -21.4656789564794 7150659 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.019 2 8 0 -18.8570504569741 7150658 CCOC1=C(C=C(C=C1)C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-])OCC 1 1.733 2 7 0 -21.8358615435576 7150655 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=C(C(=CC=C2)OC)OC 1 1.035 2 7 0 -16.0580936163797 7150653 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=C(C=C(C=C2)OC)OC 1 1.035 2 7 0 -12.7287957738118 7150652 CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-] 1 2.38 2 6 0 -16.7307474069013 7150651 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)OC(C)C 1 1.778 2 6 0 -16.4291152812738 7150650 CCOC1=CC=C(C=C1)C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-] 1 1.4 2 6 0 -15.9941463529832 7150649 CCOC1=CC=CC=C1C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-] 1 1.4 2 6 0 -14.8368777251163 7150648 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)OC 1 1.052 2 6 0 -15.2279232012752 7150647 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)OC 1 1.052 2 6 0 -16.5643800218849 7150646 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2OC 1 1.052 2 6 0 -14.4561795134387 7150645 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C(C)(C)C 1 2.468 2 5 0 -12.3078657916547 7150644 CC1=C(C=C(C=C1)C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-])C 1 2.04 2 5 0 -15.7862093038151 7150643 CC1=CC(=CC(=C1)C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-])C 1 2.04 2 5 0 -15.9140774478793 7150642 CC1=CC=C(C=C1)C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-] 1 1.554 2 5 0 -15.0742965350999 7150641 CC1=CC=CC(=C1)C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-] 1 1.554 2 5 0 -15.6850705311906 7150640 CC1=CC=CC=C1C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-] 1 1.554 2 5 0 -15.3857752551539 7150639 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2 1 1.068 2 5 0 -15.6816475082754 7150630 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2CC2 1 0.161 2 5 0 -18.1204815875666 7150629 CCCC(CCC)C(=O)OC1=C(C(=O)NC(=C1)C)[N+](=O)[O-] 1 2.358 2 5 0 -17.4410866759647 7150625 CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C(C)(C)C 1 0.95 2 5 0 -15.4185971527226 7150624 CCCCC(=O)OC1=C(C(=O)NC(=C1)C)[N+](=O)[O-] 1 0.983 2 5 0 -18.6403996032181 7150387 C1COCCN1C2=C(C=C(C=C2)N3C=CC=C3)[N+](=O)[O-] 1 2.45 3 3 -2.39045937293894 7149776 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4 1 3.599 2 4 -8.23673776437298 7147846 CC1=CC=C(C=C1)OCCCC(=O)OCC(=O)NC2=CC=CC=C2SC 1 3.754 1 4 -16.8265324402312 7147482 COC1=CC=C(C=C1)OCCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 2.119 1 7 0 -14.5000563378795 7147050 COC1=CC=C(C=C1)OCCCC(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.55 3 6 0 -9.88200498166358 7147023 COC1=CC=C(C=C1)OCCCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 1.498 2 6 0 -15.6077848399792 7147002 COC1=CC=C(C=C1)OCCCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 3.427 2 5 0 -7.76753508632487 7146937 CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(S2)Cl 1 2.845 2 4 -12.930015610937 7146099 CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N(C)C3(CCCCC3)C#N 1 3.349 4 1 -10.4634180023653 7136463 CCCC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3S2 1 2.337 3 1 -4.52827342797712 7136406 C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)C4=CC=CS4 1 2.832 3 1 -4.50642274261933 7136377 CC(C)(C)C(=O)N1CCN(CC1)C2=NC3=CC=CC=C3S2 1 2.76 3 1 -2.01847989904344 7133622 C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O 1 3.68 2 4 -5.65500118435301 7132388 COC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)N3CCCCC3)C4=CC=CC=C4 1 3.985 2 4 -8.73674762645495 7132385 COC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)NC3CC3)C4=CC=CC=C4 1 3.351 2 4 -10.2369729586799 7132297 C1=CC=C(C=C1)CCCNC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 3.393 2 5 0 -16.1846193605719 7132270 CC1=CC=C(C=C1)CN(C)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 3.308 2 5 0 -12.6394294532216 7132269 CC1=CC=CC=C1CN(C)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 3.308 2 5 0 -13.5591911626889 7132262 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 1.915 2 7 0 -15.3317417764964 7132239 C1=COC(=C1)CNC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 1.798 2 6 0 -16.8988641007658 7132223 CN(C1=CC=CC=C1)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 2.815 2 5 0 -10.6720751264777 7132112 C1CC(=O)N(C1)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 1.278 2 6 0 -15.3461434528934 7132106 C1=CSC(=C1)CNC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 2.356 2 5 0 -17.5936292684004 7132044 C1CCC(=CC1)CCNC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 3.36 2 5 0 -17.6412762180913 7131654 C1CN(CCC1C(=O)O)C(=O)C2=CC=CC3=CC=CC=C32 1 2.254 1 3 -5.87680949637777 7131628 CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)O 1 3.287 1 2 2.92158876355098 7131550 C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 2.587 2 1 -8.71763081390391 7131532 CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C=O 1 2.034 2 3 3.90760377855131 7131529 C1=CC=C(C=C1)OC(=O)NC2=NC3=C(S2)C=C(C=C3)F 1 4.001 2 2 1.30163229505981 7131495 CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)O 1 2.399 1 3 -9.6036175210829 7131404 CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCC2 1 0.916 2 2 0 -17.4845442934711 7131185 C1=CC=C(C=C1)OCC2=NN(N=N2)CC(=O)O 1 0.822 4 3 0 -8.98018588403288 7131116 C1COCCN1C(=O)C2=C(C3=CC=CC=C3O2)N 1 0.78 2 3 0 1.88151056536823e-002 7131063 C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCl 1 1.753 2 3 0 -21.1968076175232 7131003 CC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3C(=O)O 1 3.578 1 3 3.87105772696073 7130994 C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)NN 1 -1.47 4 4 0 -15.035488528741 7130993 C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C(=O)O 1 2.154 2 2 2.23329035805909 7130946 C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)O 1 -0.351 2 5 0 -14.4148136115868 7130878 CC1=C(C(=NN1)C)S(=O)(=O)N(C)CC2=CC=CO2 1 0.584 3 3 0 -6.16786257962253 7130848 COC1=CC=CC(=C1)/C=C/2\CCCCC2=O 1 3.209 0 2 -3.68811011633046 7130847 CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)O 1 2.166 2 3 -3.1145825379985 7130760 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(S3)C(=O)O 1 4.741 0 2 -1.65421147098285e-002 7130757 C1CC2=C(N(N=C2C1)C3=CC=CC=C3)N 1 2.498 3 0 5.15771802292597e-002 7125893 CC1=CC=CC=C1COC(=O)CCC2=NS(=O)(=O)C3=CC=CC=C3N2 1 2.672 2 4 -12.2949944235971 7125884 CC(C)CCNC(=O)CCC1=NN=C2N1C3=CC=CC=C3C(=O)N2CCCOC(C)C 1 2.601 5 3 0 -25.71688341621 7125872 CCN(C1=CC=CC=C1)C(=O)CN2C=NS(=O)(=O)C3=CC=CC=C32 1 1.85 3 3 0 -8.93133355483509 7125865 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4C5=CC(=CC=C5)Cl 1 4.851 4 1 1.44088424960753 7125864 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4C5=CC=C(C=C5)F 1 4.392 4 1 -0.812596950895375 7125863 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4C5=CC(=CC=C5)F 1 4.392 4 1 1.15433671626102 7125851 CC(C)CN1C(=O)C2=CC=CC=C2N3C1=NN=C3CCC(=O)O 1 1.976 4 3 0 -14.3815464496286 7125637 C1CC1NC(=O)C2=C(C3=C(C4=C(/C(=C\C5=CC=CO5)/CC4)N=C3S2)C6=CC=CO6)N 1 4.267 3 3 -5.26285893923789 7125404 CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC=CS3)S2)CCOC 1 3.223 3 3 -10.6061189348207 7125403 CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC=CC=C3)S2)CCOC 1 3.27 3 3 -8.47538088930894 7124764 CC\1=NN(C(=N)/C1=N/NC2=CN=CC=C2)C3=CC=CC=C3 1 1.727 6 0 0 -4.70970031490887 7122815 COC1=CC2=C(C=C1)N=C(S2)N/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Cl 1 2.789 4 4 0 1.17646580636942 7122777 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)NCC(=O)O 1 1.201 1 6 0 -10.2857260794643 7121894 CCOC(=O)C1=C(OC2=C([C@@]13C4=CC=CC=C4N(C3=O)CC(=O)N)C(=O)CCC2)N 1 -8.8e-002 3 6 0 -14.9464310270769 7121685 CCC(=O)NC1=C(C=C(S1)[N+](=O)[O-])C(=O)OCC 1 1.626 2 5 0 -7.29226367722682 7121651 CC(=NNC1=CC=CC=C1)C2=CC3=C(C=CC(=C3)OC)OC2=O 1 3.433 2 3 -5.31624172807977 7121590 C1CCN(CC1)C(=O)CCN2C(=O)/C(=C\C3=CC=CC=C3F)/SC2=S 1 3.683 2 2 -13.3093107077601 7121221 CC1=CC(=NO1)NC(=O)CCCN2C(=O)/C(=C/C3=CC(=CC=C3)OC)/SC2=S 1 3.375 3 4 0 -22.7437832555789 7121039 CC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)CSCC(=O)OC 1 2.023 3 3 -11.8086321481245 7121015 CC\1=NN(C(=N)/C1=N/NC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.543 5 0 -1.71448746521338 7120762 CCOC(=O)C1=C(N(C(=NC(=O)/C=C/C2=CC=CS2)S1)C)C 1 3.08 2 3 -9.95142504442364 7120761 CCOC(=O)C1=C(N(C(=NC(=O)COC2=CC=C(C=C2)Cl)S1)C)C 1 3.158 2 4 -6.66250726037112 7120760 CCOC(=O)C1=C(N(C(=NC(=O)/C=C/C2=CC=CC=C2)S1)C)C 1 3.126 2 3 -7.82068699891189 7120758 C1=CC=C2C(=C1)NC(=C(C#N)C(=O)C3=C(SC(=C3)Cl)Cl)N2 1 3.699 3 1 -5.15046042866907 7120755 C1=CC(=CC=C1NC(=O)C2=C(SC(=C2)Cl)Cl)F 1 3.4 1 1 -0.977156361773174 7120754 CC1=CC(=CC(=C1)NC(=O)C2=C(SC(=C2)Cl)Cl)C 1 4.167 1 1 -2.29306920730822 7120751 C1=CC(=CC=C1NC(=O)C2=C(SC(=C2)Cl)Cl)[N+](=O)[O-] 1 3.089 2 3 -3.78343117459566 7120750 CC(=O)C1=CC(=CC=C1)NC(=O)C2=C(SC(=C2)Cl)Cl 1 2.934 1 2 -4.39983521458118 7120749 CC1=C(C(=CC=C1)NC(=O)C2=C(SC(=C2)Cl)Cl)C 1 4.167 1 1 -0.592464320554932 7120692 CC1=CC=C(C=C1)NC(=O)C2=CSC3=C2CCCC3 1 4.146 1 1 -5.22419675471701 7120217 C1C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)C3=C(C=CC=C3Cl)Cl 1 3.825 2 3 -3.43891450787778 7120071 CC1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C(C2=O)C=CC(=C3)C(=O)O)O 1 2.575 1 6 0 -10.1749662395883 7120060 CCCCN1C(=O)C2=C(C3=CC=CC=C3O2)NC1=O 1 2.694 2 3 -1.97277734211835 7120059 C1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4O3)NC2=O 1 2.949 2 3 -0.597225185875458 7120056 CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4O3)NC2=S 1 4.799 2 2 0.886816166465264 7120055 CC1=C(C=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4O3)NC2=S)C 1 5.286 2 2 1.00159562219583 7120054 COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4O3)NC2=S 1 4.297 2 3 1.06291083175375 7120053 CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4O3)NC2=S 1 4.799 2 2 2.67318472453287 7120051 COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4O3)NC2=S 1 4.297 2 3 0.473849957321124 7120050 C1=CC=C2C(=C1)C3=C(O2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F 1 4.519 2 2 1.59869319193052 7119667 CC1=C(N=C(C(=O)N1CC2=CC=CC=C2)NCCC#C)Cl 1 3.041 3 1 -4.74498884308664 7119659 C#CCCNC1=NC(=CN(C1=O)CC2=CC=CC=C2)Cl 1 2.528 3 1 -4.15450792076368 7119652 COC1=CC=C(C=C1)CNC2=NC(=C(N(C2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)Cl 1 4.29 3 4 0 -4.15008876480722 7119632 COC1=C(C=C(C=C1)C2=C(N=C(C(=O)N2C3=CC=CC=C3)NCC4=CC=CC=C4OC)Cl)OC 1 4.29 3 4 0 -5.4558221373175 7119438 CCOC(=O)CNC(=O)CSC1=NC(=NS1)C2=CC=C(C=C2)OC 1 1.961 3 4 0 -15.2827252133702 7119417 CC1=CC=CC=C1C2=NSC(=N2)SCC(=O)C3=CC=C(C=C3)Cl 1 5.268 2 1 0.477429969559931 7119398 CC1=CC=CC=C1C2=NSC(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 3.752 3 3 -9.57555720160572 7119349 CCOC(=O)CNC(=O)CSC1=NC(=NS1)C2=CC=C(C=C2)C 1 2.463 3 3 -14.9408019528611 7119342 CC1=CC=C(C=C1)C2=NSC(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 3.752 3 3 -9.71293537191647 7119313 CCOC(=O)CSC1=NC(=NS1)C2=CC=CC=C2 1 2.917 2 2 -8.85068141670285 7119291 CCOC(=O)CNC(=O)CSC1=NC(=NS1)C2=CC=CC=C2 1 1.977 3 3 0 -15.4153183691763 7119247 C1COCCN1C(=O)CSC2=NC(=NS2)C3=CC=CC=C3 1 1.815 3 2 0 -10.1397033907837 7119208 COC1=CC=C(C=C1)C2=NC(=CS2)CCNC(=O)C3=CC=C(O3)Br 1 3.412 2 3 -5.64536246210946 7119205 COC1=CC=C(C=C1)C2=NC(=CS2)CCNC(=O)C3=CC=CS3 1 3.402 2 2 -5.76858947766041 7119188 C1=CSC(=C1)C(=O)NCCC2=CSC(=N2)C3=CC=C(C=C3)C(F)(F)F 1 4.361 2 1 -1.75985638118398 7119164 CC1=CC=C(C=C1)C(=O)NCCC2=CSC(=N2)C3=CN=CC=C3 1 2.801 3 1 -6.77168654756648 7119161 C1=CC=C2C(=C1)C=CC=C2C(=O)NCCC3=CSC(=N3)C4=CN=CC=C4 1 3.223 3 1 -5.19590900165692 7119150 C1=CC(=C(C(=C1)F)C(=O)NCCC2=CSC(=N2)C3=CN=CC=C3)F 1 2.725 3 1 -7.82887213004879 7119148 C1=CC=C(C=C1)C(=O)NCCC2=CSC(=N2)C3=CN=CC=C3 1 2.314 3 1 -7.6647283416006 7119147 C1=CC(=CC(=C1)Cl)C(=O)NCCC2=CSC(=N2)C3=CN=CC=C3 1 2.979 3 1 -4.39616732994659 7119146 C1=CC(=CN=C1)C2=NC(=CS2)CCNC(=O)C3=CC=C(C=C3)Cl 1 2.979 3 1 -4.94968785697966 7119145 C1=CC=C(C(=C1)C(=O)NCCC2=CSC(=N2)C3=CN=CC=C3)Br 1 3.063 3 1 -6.72006710383157 7119113 C1=CC=C(C=C1)C2=NC(=CS2)CCNC(=O)C3=C(C=CC=C3Cl)F 1 4.335 2 1 -5.40354938353457 7119107 C1=CC=C(C=C1)C2=NC(=CS2)CCNC(=O)C3=CC=CO3 1 2.86 2 2 -4.49109691135664 7119106 C1=CC=C(C=C1)C2=NC(=CS2)CCNC(=O)C3=CC=CC=C3F 1 3.671 2 1 -6.70739669870446 7119102 C1=CC=C(C=C1)C2=NC(=CS2)CCNC(=O)CC3=CC=CS3 1 3.453 2 1 -9.16515362311802 7119101 CC1=CC=CC(=C1)C(=O)NCCC2=CSC(=N2)C 1 2.287 2 1 -8.51117797740104 7119100 CC1=CC=C(C=C1)C(=O)NCCC2=CSC(=N2)C 1 2.287 2 1 -8.68902885165903 7119098 CC1=NC(=CS1)CCNC(=O)CC2=CC=C(C=C2)F 1 2.041 2 1 -9.61180974542847 7119095 CC1=NC(=CS1)CCNC(=O)CC2=CC=C(C=C2)Cl 1 2.5 2 1 -8.5016880803069 7119084 CCCS(=O)(=O)NCCC1=CSC(=N1)C2=CC(=C(C=C2)OC)OC 1 2.431 2 4 -9.34525068436935 7119083 CCS(=O)(=O)NCCC1=CSC(=N1)C2=CC(=C(C=C2)OC)OC 1 1.907 2 4 0 -7.3923335029716 7119072 C1=CC(=CC(=C1)S(=O)(=O)NCCC2=CSC(=N2)C3=CN=CC=C3)F 1 2.223 3 2 -3.35948996145803 7119064 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC2=CSC(=N2)C3=CN=CC=C3 1 1.757 3 3 0 -8.42978940198549 7119061 C1=CC(=CN=C1)C2=NC(=CS2)CCNS(=O)(=O)C3=C(C=CC(=C3)F)F 1 2.428 3 2 -5.10556809040694 7119034 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CSC(=N2)C 1 1.636 3 4 0 -8.03433063155438 7119032 C1=COC(=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=C(C=C4)Cl)Cl)C(=O)N 1 3.01 5 3 0 3.53433425411759e-002 7119024 CC1=C(SC=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)Cl)C(=O)N 1 3.39 5 2 0 -3.02272537976349 7119016 CCOC(=O)CC(=O)CSC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)OC 1 2.669 5 4 0 -12.4799992473496 7118981 COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)NC4=CC=CC=C4F)N=N2 1 3.544 6 2 0 -13.1791011916799 7118968 CCOC(=O)CC(=O)CSC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F 1 2.891 5 3 0 -11.4261989613753 7118887 CCOC(=O)CC(=O)CSC1=NC=NC2=C1N=NN2C3=CC=CC=C3 1 2.685 5 3 0 -12.8045684974282 7118810 C1CCC(CC1)NC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=C(C=C4)F 1 3.849 6 1 0 -18.9753402979555 7118808 C1CCC(C1)NC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=C(C=C4)F 1 3.393 6 1 0 -18.6208717837875 7118743 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=CC(=C(C=C3)Cl)Cl 1 3.574 4 1 -0.99249931010503 7118725 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC(=C(C=C3)OC)OC 1 1.265 5 4 0 -16.1992109901462 7118693 CC1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C 1 1.096 5 2 0 -15.3108264048729 7118692 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCCCC3 1 0.844 5 2 0 -12.6217168009685 7118691 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCCC3 1 0.388 5 2 0 -12.2672482868004 7118271 CCOC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)NC4=NOC(=C4)C 1 2.966 6 3 0 -19.8895453605543 7118252 CCOC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SC(C)C 1 3.917 4 1 -3.8625285387507 7118245 COC1=C(C=C(C=C1)C(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54)O 1 5.417 2 2 4.80428975678859 7118233 COC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC4=CC=C(O4)C(=O)OC 1 3.754 4 4 0 -8.207215197367 7118230 COC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC4=CC=CC=C4 1 4.426 4 1 -4.90589360723354 7118229 CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3C4=CC=C(C=C4)OC)C=C2 1 2.617 6 3 0 -19.1233222088463 7118134 CC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)NC4=CC=CC=C4OC 1 3.965 5 2 0 -13.0585555525906 7118096 CC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCC5=CC=CC=C54 1 4.262 5 1 -13.7266037305541 7118095 CC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCCC5=CC=CC=C54 1 4.718 5 1 -12.1972334036458 7117998 COC(=O)C1=CC=C(O1)CSC2=NN3C(=NN=C3C4=CC=C(C=C4)F)C=C2 1 3.976 4 3 0 -7.25114481166705 7117984 CCOC(=O)CNC(=O)CSC1=NN2C(=NN=C2C3=CC=C(C=C3)F)C=C1 1 2.18 5 3 0 -16.9993999257766 7117780 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN4C(=NN=C4C5=CC=CC=C5)C=C3 1 4.232 5 1 -12.8401628169734 7117680 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)N3CCC(=CC3)C4=CC=CC=C4 1 3.654 2 2 -3.54503508884194 7117696 CCCCN(C)CCNC(=O)C(=O)C1=C(NC2=CC=CC=C21)C 1 2.83 3 2 -2.97340187685184 7117694 CCN1CCN(CC1)CCCNC(=O)C(=O)C2=C(NC3=CC=CC=C32)C 1 1.87 4 2 0 -3.37159586271938 7117668 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)NCCC3=CNC4=CC=CC=C43 1 3.561 3 2 -6.82620424970742 7117653 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.707 2 4 -1.23240144671713 7117595 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)NCCCC3=CC=CC=C3 1 3.723 2 2 -4.51754913639784 7117590 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)NCCC3=CC=C(C=C3)OC 1 3.251 2 3 -2.73130690231521 7117588 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.972 3 4 0 -7.98873672701098 7117559 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)NCCC3=CCCCC3 1 3.69 2 2 -5.80579299690484 7117518 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.845 3 4 0 -4.52374689065686 7117512 CCN1CCN(CC1)C(=O)C(=O)C2=C(NC3=CC=CC=C32)C 1 1.874 3 2 0 -2.63493847700548 7117510 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)N3CCN(CC3)C 1 1.526 3 2 0 -1.02828257355462 7117504 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)N3CCC4(CC3)OCCO4 1 1.633 2 4 0 -6.06433926220863 7117477 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)N(C)C3CCCCC3 1 3.427 2 2 -0.466873816523702 7117406 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(=O)C4=CNC5=CC=CC=C54 1 2.732 3 4 0 -2.12748121523137 7117403 C1CN(CC=C1C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=CC=CC=C43 1 3.509 2 2 -4.71460271450007 7117308 C1CCC(=CC1)CCNC(=O)C(=O)C2=CNC3=CC=CC=C32 1 3.544 2 2 -8.46841201939992 7117369 C1OC2=C(O1)C=C(C=C2)NC(=O)C(=O)C3=CNC4=CC=CC=C43 1 2.562 2 4 -3.89502046921221 7117359 CSC1=CC=CC=C1NC(=O)C(=O)C2=CNC3=CC=CC=C32 1 3.335 2 2 -6.51299470770028 7117334 C1=CC=C(C=C1)CCCNC(=O)C(=O)C2=CNC3=CC=CC=C32 1 3.578 2 2 -7.18016815889291 7117332 C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.827 3 4 0 -10.6513557495061 7117331 C[C@H](C1=CC=CC=C1)NC(=O)C(=O)C2=CNC3=CC=CC=C32 1 3.178 2 2 -5.02223794694346 7117262 C1CN(CCC12OCCO2)C(=O)C(=O)C3=CNC4=CC=CC=C43 1 1.488 2 4 0 -7.23390688786675 7117226 CC1=CC(=CC=C1)CSC2=NC=NC3=CC=CC=C32 1 4.538 2 0 -0.605089241045628 7117225 CC1=CC=CC=C1CSC2=NC=NC3=CC=CC=C32 1 4.538 2 0 -3.94079205206285 7117102 CC1=CC(=NO1)NC(=O)CN2C(=O)CCSC3=CC=CC=C32 1 1.407 3 3 0 -17.0220507368491 7117022 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C(C)(C)C 1 3.295 1 4 -6.51393669630571 7117021 CCCC(=O)NC1=C(OC2=CC=CC=C21)C(=O)OCC 1 2.872 1 4 -5.93449735928075 7116925 C1CC1C(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=CC=C4 1 3.087 2 3 0.339475440948493 7115460 CC(=O)NC1=NC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)C(=O)C)/S1 1 2.367 4 3 0 -2.65584853731435 7114415 CC(=NNC1=NC(=CS1)C2=CC=CC=C2)/C=C/C3=CC=CC=C3 1 4.194 3 0 3.31412309430409 7113449 CC1=C(OC(=N1)C)C(=O)NC2=NC=C(S2)[N+](=O)[O-] 1 0.362 4 4 0 -2.53646286123793 7113431 CC1=C(OC(=N1)C)C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.415 2 2 -10.2894677541303 7113285 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 2.152 3 3 -13.0639954574051 7113157 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC(=C4)C(=O)O 1 2.925 1 6 0 -5.61239399152135 7113151 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O 1 2.925 1 6 0 -5.41455350614565 7113042 C[C@]1(N(C(=NO1)C2=CC=CC=C2)C)C3=CC=CC=C3 1 2.891 2 1 0.379734988069264 7111610 COC1=C(C(=C(C=C1)/C=C/C2=NC3=C(C=CC=C3O)C=C2)OC)OC 1 4.139 1 4 3.37852923666793 7111202 CCOC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)NCC4=CC=CO4)N=N2 1 1.426 6 4 0 -17.9758125255888 7111180 CCOC(=O)CN1C=NC2=C(C1=O)N=NN2C3=CC=C(C=C3)F 1 1.529 5 3 0 -7.71293976356078 7111179 COC(=O)CN1C=NC2=C(C1=O)N=NN2C3=CC=C(C=C3)F 1 1.181 5 3 0 -7.36987069424664 7111172 CC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)C4=CC=CC=C4)N=N2 1 3.01 5 2 0 -7.62933027578124 7111151 C1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)NCC4=CC=C(C=C4)F)N=N2 1 2.117 6 2 0 -14.5977519753165 7111103 C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)F 1 2.117 6 2 0 -14.2761350874237 7110461 CC1=CC(=C(C=C1)C)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CO4 1 4.388 4 3 0 -8.36982536220129 7110415 CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC(=O)N4CCCC4)C(=O)N(C1=O)C 1 2.164 5 3 0 -13.5771688829109 7110391 CN1C2=C(C(=NC(=N2)C3CC3)SCC4=CC=CC=C4)C(=O)N(C1=O)C 1 3.114 4 2 -14.0645623226728 7110383 CN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)N4CCOCC4)C(=O)N(C1=O)C 1 0.484 5 4 0 -21.4268088171357 7110368 CC(C)C1=NC2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C 1 3.158 4 3 0 -14.2798506801441 7110352 CCCC1=NC2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C 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CCC1=NC2=C(C(=N1)SCC(=O)N3CCCCC3)C(=O)N(C(=O)N2C)C 1 1.623 5 3 0 -19.3272246951104 7110280 CCC1=NC2=C(C(=N1)SCC(=O)N3CCCC3)C(=O)N(C(=O)N2C)C 1 1.167 5 3 0 -18.9727561809423 7110276 CC1=NC2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C 1 2.029 4 3 0 -15.6676001791468 7110153 C1CCN(C1)C2=NC3=C(C=C(C=C3S2)F)F 1 2.869 2 0 4.47058336003946 7110151 COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCC4=CC=CC=C4C3 1 3.623 2 2 -1.45209894311965 7110130 C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)F 1 2.664 2 0 4.664496152992 7110129 C1COCCN1C2=NC3=C(S2)C=C(C=C3)F 1 1.89 2 1 0 2.72094151611115 7110118 C1CCN(C1)C2=NC3=C(S2)C=CC=C3Br 1 3.207 2 0 3.04770691372806 7110114 C1CCN(C1)C2=NC3=C(C=CC=C3S2)F 1 2.664 2 0 2.44544690973961 7110105 C1COC2=C(O1)C=C3C(=C2)SC(=N3)NC4=NC5=C(C=CC=C5S4)F 1 3.985 3 2 -0.85187843027745 7110104 C1COC2=C(O1)C=C3C(=C2)SC(=N3)NC4=NC5=C(S4)C=C(C=C5)F 1 3.985 3 2 1.05496774276233 7110103 COC1=CC2=C(C=C1)N=C(S2)NC3=NC4=CC5=C(C=C4S3)OCCO5 1 3.763 3 3 -1.36514249600964 7110102 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-3.48071240352097 7032943 C1=CC=C(C=C1)N/C=C(/C#N)\C(=O)CCl 1 1.741 2 1 0 -6.15858680188854 7029231 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)O)Br)/SC2=O 1 3.484 2 6 0 -11.5322074205813 7028277 CCN1C=C(C=N1)CNC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-] 1 1.895 5 5 0 -12.5415814679487 7028263 C1C2CC3CC1CC(C2)C3NS(=O)(=O)C4=CC=C(C=C4)F 1 3.203 1 2 -1.88856904111528 7028028 CCCCNC(=O)NC1=CC=CC=C1Br 1 3.023 2 1 -11.331660385054 7027628 CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CO2 1 3.278 0 4 -8.06822778863063 7027059 CCCNCC1=C(C=CC(=C1)Br)OCC(=O)NCCC2=CC=CC=C2 1 3.936 2 2 -7.70885708402624 7027057 CCCNCC1=CC(=C(C=C1Br)OCC(=O)NCCC2=CC=CC=C2)OC 1 3.92 2 3 -11.3277969537959 7027055 CCOC1=C(C=C(C(=C1)CNC(C)C)Cl)OCC(=O)NCCC2=CC=CC=C2 1 4.038 2 3 -12.2506077640266 7025756 COC1=CC=CC=C1C(=O)NCCCC2=NC3=CC=CC=C3N2CC=C 1 3.706 3 2 -14.7298512849186 7025675 CCCCCN1C2=C(N=C1SC3=CC=CC=C3)N(C(=O)NC2=O)C 1 4.139 4 2 -6.1136107374908 7025619 COC1=C(C=CC(=C1)S(=O)(=O)N2C=CN=C2)Br 1 1.806 2 3 0 -6.14320516114899 7025565 CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=C)C)C#N 1 4.845 3 0 -13.0545556619035 7025556 C1CN(CCN1C2=CC=CC=N2)C3=NC4=CC=CC=C4N3 1 2.447 5 0 2.55223039866068 7021979 CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=O)C2=NC=CN=C2 1 1.471 4 3 0 -9.48564467108876 7021665 C1=CC(=CN=C1)C(=O)NNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.279 4 4 0 -9.07380012134703 7019465 COC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)O 1 2.04 1 4 -4.27367793332321 7019243 COC1=C(C=C(C=C1)C=O)COC2=CC3=C(C=C2)OCO3 1 2.908 0 5 -7.94334823621682 7018464 CC1=C(C(=NN1CC(=O)NN)C(F)(F)F)Cl 1 1.022 4 1 0 -4.88632409254382 7015846 C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3)C=O 1 3.45 1 2 0.885392059651438 7014361 CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OCCC#N)OC)OC 1 3.841 2 3 -11.739340533356 7014344 C1CCC(CC1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.655 2 3 -13.6212069228609 7013345 C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4 1 4.645 2 2 3.64146310048054 7013279 CC1=CC(=C2C(=C1)C3(C(=O)N2)OCCO3)C 1 1.492 1 3 0 -6.57932175880564 7012503 CN(CC(=O)NCC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CS2 1 2.041 2 3 -12.387163466838 7012502 CN(CC(=O)NCCC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CS2 1 2.362 2 3 -11.7956099549722 7012455 CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(S2)Br 1 3.142 1 3 -2.22764605230509 7012288 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCNS(=O)(=O)C3=CC=CS3 1 1.876 3 3 0 -9.5338922444251 7010816 C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=NN(C=C3/C=C(/C#N)\C(=O)NCCCN4C=CN=C4)C5=CC=CC=C5 1 4.889 6 2 0 0.141148531361333 7009260 CC(C)(C)OC(=O)N1CCC[C@H]1C2=NN=C(O2)SCC3=CC=C(C=C3)Cl 1 4.232 3 3 -10.9274408304768 7007384 C=CCON1[C@@H]2CCCC[C@@H]2N(C(=O)C1=O)OCC=C 1 1.314 2 4 0 -5.89675239080208 7006952 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@H]3C(=O)NCC(C)C 1 2.167 3 4 0 -23.2425660830474 7006395 CC(C)(C)OC(=O)N1CCC[C@H]1C2=NN=C(O2)SCC3=CC(=CC=C3)Cl 1 4.232 3 3 -10.9902179031901 7005769 CC(C)(C)OC(=O)N1CCC[C@H]1C2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)Cl 1 3.285 4 4 0 -14.1646356524472 7005607 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC4=C(C=C3)N(C(=N4)CCNC(=O)C)C 1 0.966 6 3 0 -14.2924656779114 7005445 C1[C@H]2C(=O)N(CC(=O)N2CS1)CC3=CC=C(C=C3)F 1 0.87 2 2 0 -4.06567664556802 7004333 CC(C)(C)OC(=O)NN1CC(=O)N2CC3=C(C[C@H]2C1=O)C4=CC=CC=C4N3 1 1.44 4 4 0 -8.76392620398333 7003957 C1[C@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)F 1 1.815 3 4 0 -18.2597215538427 7003888 CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@@H]2C(=O)O 1 2.331 2 5 0 -15.6996075186984 7003482 COCCCN1CC(=O)N2CC3=C(C[C@H]2C1=O)C4=CC=CC=C4N3 1 0.627 3 3 0 -7.79226997049633 7003681 CCCCCN1CC(=O)N2CC3=C(C[C@H]2C1=O)C4=CC=CC=C4N3 1 2.481 3 2 -6.66726822999414 7003666 CCCCCCN1CC(=O)N2CC3=C(C[C@H]2C1=O)C4=CC=CC=C4N3 1 2.937 3 2 -6.72451834753051 7003475 CCCCN1CC(=O)N2CC3=C(C[C@H]2C1=O)C4=CC=CC=C4N3 1 2.025 3 2 -6.66606873878448 6999736 COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)O)OC 1 3.101 1 3 -6.3893422878889 6998831 C/C=C/C=NNC(=O)C1=CC=NC=C1 1 0.86 3 1 0 -4.9238834019634 6998060 CN(C1=CC=CC=C1)C(=NS(=O)(=O)C2=CC=CC=C2)C(F)(F)F 1 3.656 2 2 -6.47111121580509 6996969 CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3CCCCC3 1 4.414 3 4 0 -11.9791769540147 6996550 C1=CC(=CN=C1)/C=C(/C(=O)NCCCN2C=CN=C2)\NC(=O)C3=CC=CO3 1 4.3e-002 5 3 0 -17.2583195609169 6992431 C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)OCC3=CC=CC=C3 1 2.959 3 5 0 -15.0243531099585 6990211 C1COC2=C(O1)C=CC(=C2)N/N=C/3\C=CC(=O)C=C3O 1 1.795 2 4 0 -4.12491795181562 6974998 CC1=CC=CC=C1NC2=NC(=O)/C(=C/C3=CC=CN3C)/S2 1 3.856 3 1 -5.7175004417202 6974996 CCN=C1N(C(=O)/C(=C/C2=CC(=C(C=C2OC)N3CCCC3)OC)/S1)CC 1 3.696 3 3 -6.16285710142732 6974601 C1[C@@H]([C@@H](CS1(=O)=O)O)NC2=CC=C(C=C2)Cl 1 1.237 1 3 0 -4.64943940359355 6974358 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)/C(=C/C3=CC=C(O3)Br)/S2 1 3.803 2 4 -7.9936215773704 6995255 COC1=CC=CC=C1/C=C/C=NNC(=O)CC2=CC=CS2 1 3.015 2 2 -4.40379777364364 6963061 CC1=CN2C(=NC(=C2NC3=CC=CC=C3)C4=CC=NC=C4)C=C1 1 3.942 4 0 2.18100984520166 6959313 CCOC(=O)C1CCN(CC1)C(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 2.877 2 4 -21.9819175623549 6958953 C1=CC(=CC(=C1)Br)C(=O)NC2=CC=C(C=C2)C3=NNC(=S)O3 1 4.076 3 2 -8.88400877641132 6953878 CCCN1CC(=O)N2CC3=C(C[C@H]2C1=O)C4=CC=CC=C4N3 1 1.569 3 2 0 -4.69190607577098 6953765 CC(C)CN1CC(=O)N2CC3=C(C[C@H]2C1=O)C4=CC=CC=C4N3 1 1.888 3 2 0 -6.56093337743667 6953764 CC(C)CCN1CC(=O)N2CC3=C(C[C@H]2C1=O)C4=CC=CC=C4N3 1 2.276 3 2 -6.69402344466685 6953757 CN1CC(=O)N2CC3=C(C[C@H]2C1=O)C4=CC=CC=C4N3 1 0.696 3 2 0 -3.45018170593647 6953733 C=CCN1CC(=O)N2CC3=C(C[C@H]2C1=O)C4=CC=CC=C4N3 1 1.313 3 2 0 -8.21045126623247 6952358 C1=CC=C(C=C1)/C=C/C2=N/C(=C/C3=CC=CO3)/C(=O)O2 1 3.176 1 3 -1.9807493862633 6952315 COC1=CC=CC(=C1OC)/C=C\2/C(=O)OC(=N2)C3CCCCC3 1 3.742 1 4 -5.43258375814059 6952226 CC1=CC=CC=C1NC2=C(N=C3N2C=CC=C3C)C4=CC=CC=N4 1 4.856 4 0 -2.47864994948781 6952211 CC1=CC=C(C=C1)NC2=C(N=C3N2C=CC(=C3)C)C4=CC=CC=N4 1 4.856 4 0 -1.33981755459639 6952026 CC1=CC=CC2=NC(=C(N12)NC3=CC=CC=C3)C4=CN=CC=C4 1 3.738 4 0 -0.854672880560307 6947253 CN1/C(=C(/C#N)\C(=O)OC)/C=CC2=CC=CC=C21 1 2.073 2 2 -0.980953375708514 6945886 CC1=CC=CC2=NC(=C(N12)NC3=CC=CC=C3)C4=CC=CO4 1 4.284 3 1 2.03210498293831 6945186 CC\1=NN(C(=S)/C1=C/NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 3.806 4 2 -6.28727859358275 6944298 CC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)SC#N)C3=CC=CC=C3 1 2.85 4 1 -3.77119097910264 6943547 CC1=CC=C(C=C1)N2C(=O)/C(=C/NC3=CC4=C(C=C3)NC(=O)N4)/C(=N2)C 1 1.725 5 2 0 -12.9439940492161 6941717 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.689 2 2 -17.426291760286 6941500 CC1=C(C=C(C=C1)NC(=O)CCN2C=CC=C2)C 1 2.986 2 1 -6.6840482482121 6937254 C1CC[C@@H]([C@@H](C1)C(=O)NNC(=S)N)C(=O)O 1 0.634 3 3 0 -6.73745073868283 6937223 CC1=NC=C(N1CC(=O)NC2=CC=C(C=C2)Br)[N+](=O)[O-] 1 1.587 4 3 0 -10.3859795217894 6936599 CC1=CC=CC=C1C2=N/C(=C/C3=CN=CC=C3)/C(=O)O2 1 2.648 2 2 -8.15766913642447 6936297 CC1=C([C@@H](NC(=O)N1CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC 1 2.854 2 3 -17.543749317839 6935000 C1=CC=C(C=C1)N/C=C\2/C(=O)OC(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 3.016 3 4 0 -5.80705509282041 6934998 C1=CC=NC(=C1)N/C=C\2/C(=O)OC(=N2)C3=CC=C(C=C3)Br 1 2.791 3 2 -4.57369593473699 6933580 CC(C)C[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)Br 1 2.686 1 4 -17.0015077053659 6926621 C[C@H](C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)OC)OC 1 3.191 3 2 -1.29592145884252 6922771 COC1=CC=CC(=C1O)/C=C\2/C(=O)NC(=O)N2 1 0.478 2 4 0 -3.92839634473987 6919196 C1C(=O)C(=C(O1)NC2=CC=CC=C2)C(=O)O 1 1.31 1 4 0 -3.54821442500314 6918774 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O 1 5.525 0 4 -0.280202736957915 6918469 CC1=CC(=C(C=C1C2=CC(=CC(=C2C(=O)O)O)OC)O)O 1 2.722 0 6 2.10103169035291 6918303 C1C[C@@H]2CN(C(=O)C3=C2C(=CC=C3)C1)[C@@H]4CN5CCC4CC5.Cl Cl- 1 2.745 2 1 2.15355335974045 6918132 CCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C.Cl Cl- 1 0.145 2 4 0 -5.63217635903737 6918003 CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C.Cl Cl- 1 2.401 4 1 -4.48685694372595 6917843 CCN(CC)CCCCCCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.Cl Cl- 1 4.939 1 5 -8.95807528736483 6917841 CN(CCC1=CC(=C(C=C1)OC)OC)CCC2=CC(=C(C=C2)OC)OC.Cl Cl- 1 4.063 1 4 -2.28027822975431 6917797 C1CC(CN(C1)CCC=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O.Cl Cl- 1 1.373 1 2 0 -0.210069243395935 6917794 CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O.Br Br- 1 4.287 1 1 1.26296926635207 6917603 CCOC(=O)C1=NC(=CN=N1)C2=CC=CC=C2 1 1.836 3 2 0 0.321440339568614 6917582 COC1=CC2=C(C=C1)O[C@@H]([C@H](C2=O)O)C3=CC(=C(C=C3)OC)Br 1 3.163 0 5 -0.545728397522019 6917421 COC1=CC2=C(C=C1)C(=O)[C@@H]([C@H](O2)C3=CC4=C(C=C3)OCO4)O 1 2.199 0 6 -2.42872386801137 6917329 C[C@H]1CC[C@H]2C(=O)N3[C@@H](CC4=C([C@@H]3C5=CC(=C(C(=C5)OC)OC)OC)NC6=CC=CC=C46)C(=O)N2[C@@H]1C7=CC(=CC=C7)CC=C 1 6.358 3 5 0 -11.4763724227186 6917325 COC1=CC(=CC(=C1OC)OC)[C@H]2C3=C(C[C@@H]4N2C(=O)[C@@H]5CC6=C([C@@H](N5C4=O)C7=CC(=C(C(=C7)OC)OC)OC)NC8=CC=CC=C68)C9=CC=CC=C9N3 1 6.201 4 8 0 -8.51005729239387 6917324 C1[C@H]2C(=O)N3[C@@H](CC4=C([C@H]3C5=CC=CC=C5)NC6=CC=CC=C46)C(=O)N2[C@@H](C7=C1C8=CC=CC=C8N7)C9=CC=CC=C9 1 6.299 4 2 -5.95333804844787 6917323 C[C@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H]([C@H]3C4=CC(=CC=C4)N5CCCC5=O)C)C(=O)N2[C@@H]1C6=CC(=CC=C6)N7CCCC7=O 1 3.663 4 4 0 -9.96765714877546 6917321 C[C@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H]([C@H]3C4=CC=CC=C4Br)C)C(=O)N2[C@@H]1C5=CC=CC=C5Br 1 5.996 2 2 -1.08982472346171 6917182 CC1=CC(=C(C=C1)N2C(=O)CC(=O)NC2=O)C 1 1.707 2 3 0 -6.60963490651104 6916239 C1CC(OC1)CNC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 2.353 2 3 -23.8582625069292 6916166 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)NC(C(C)C)C(=O)O 1 3.802 1 6 0 -22.1316079235343 6916165 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)N2C(=CC(=N2)C)C)C3=CC=CC=C3 1 3.465 3 3 -17.8067284150816 6916157 CN1C(=NN=C1SCC(=O)NCC2CCCO2)C3=CC=CO3 1 1.222 4 3 0 -18.3901172248042 6916146 CC1=C(SN=N1)C(=O)NC(C)C2=CC=CC=C2 1 2.118 3 1 -14.4582246665154 6916139 CC1CC(=NC1(C)C)NC2=CC=CC=C2 1 2.368 2 0 -0.216942634238693 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0.552147632934471 6870668 COC1=CC\2=C(C=C1)N(C(=O)/C2=N\NC(=S)N)CC(=O)C3=CC=CC=C3 1 2.326 4 3 0 -6.40992520937692 6870349 C1=CC=C(C=C1)/C=C\C(=O)/C=C\2/C(=O)OC3=CC=CC=C3N2 1 3.333 1 3 -3.45998145739275 6870326 CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3/C(=N/NC(=O)C4=CC=CC=C4O)/C2=O 1 2.85 4 4 0 -2.43102185745056 6867514 COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C\2/C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)OC 1 2.58 4 5 0 -14.9251318610098 6867236 COC(=O)CN1C2=CC=CC=C2/C(=N/NC(=O)OC)/C1=O 1 0.656 3 5 0 -8.32718530867127 6866797 CCOC(=O)CN1C2=CC=CC=C2/C(=N/NC(=O)OC)/C1=O 1 1.005 3 5 0 -9.2705937072563 6864510 CCCCN1C(=O)/C(=C\NN2CCOCC2)/C(=O)NC1=S 1 0.115 4 3 0 -6.84437763301273 6864444 C1COC2=C(O1)C=CC(=C2)N/N=C/3\C(=NN(C3=O)C4=CC=CC=C4)N 1 1.881 5 3 0 -9.10593606027226 6863660 C1=CC=C2C(=C1)C(=C(N2)/C=C\3/C(=O)NC(=S)N(C3=O)CC4=CC=C(C=C4)F)CCNC(=O)CCC(=O)O 1 3.637 4 5 0 -12.7808368255388 6863538 C=CCN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)CC3=CC=CC=C3)/C1=O 1 1.681 4 3 0 -17.6344555539433 6863081 CCN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)CC3=CC=CC=C3)/C1=O 1 1.413 4 3 0 -13.4943918276043 6862860 CC1=CC(=CC=C1)N2C(=O)/C(=C\C=C\NC3=CC=CC=C3)/C(=O)NC2=O 1 2.942 3 3 1.8317331464968 6861088 C/C(=C\1/C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)/NC4=CC=C(C=C4)Cl 1 4.215 4 3 0 -6.33356591705037 6860932 CC1=CC(=C(C=C1)N/C=C\2/C(=O)C=C(OC2=O)C)C 1 2.505 1 3 -6.54210555622081 6860931 CC1=CC(=CC=C1)N/C=C\2/C(=O)C=C(OC2=O)C 1 2.019 1 3 -4.03325306275938 6860790 C/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)/NCC3=CC4=C(C=C3)OCO4 1 1.998 3 5 0 -8.74093956818092 6860769 C/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)/NC3=CC4=C(CCC4)C=C3 1 3.558 3 3 -8.45915854530619 6860728 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NC2=CC=C(C=C2)C(=O)O 1 1.171 3 5 0 -12.9140600417822 6860699 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NCCC2=CCCCC2 1 2.015 3 3 -16.296844987483 6860690 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NC2=CC=CC(=C2)C(=O)O 1 1.695 3 5 0 -13.4458130962086 6860656 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NC2=CC3=C(CCC3)C=C2 1 3.122 3 3 -14.6924654427622 6860646 C/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)/NCC3=CC4=C(C=C3)OCO4 1 1.982 3 6 0 -8.89260258218283 6860174 CC/C(=C\1/C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)/NCC4=CC=CO4 1 4.037 4 2 -6.2446313952986 6859795 C1=CC(=CC(=C1)Cl)N/N=C/2\C(=NC(=O)NC2=O)N 1 1.372 5 2 0 -4.37394461658342 6859500 CCC(=NN/C=C\1/C2=C(C=C(C=C2)C3=NNC(=O)CC3)N(C1=O)CC)C 1 0.539 5 2 0 -13.637262756398 6859230 C/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)/NNC3=CC=CC=C3 1 2.174 4 3 0 -4.36256970933679 6859133 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NCC2=CC3=C(C=C2)OCO3 1 1.039 3 5 0 -14.382888115872 6859005 CC1=CC(=CC=C1)N/C(=C\2/C(=O)C3=CC=CC=C3S2)/C 1 4.035 1 1 1.41889111478772 6858996 CC1=CC=C(C=C1)N/C(=C\2/C(=O)C3=CC=CC=C3S2)/C 1 4.035 1 1 -0.371360212016633 6858276 [3H]C([3H])([3H])N(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F 1 3.721 2 1 -0.156115878711331 6856595 COC1=C/C(=C/NNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3)/C=CC1=O 1 0.968 3 5 0 -9.09443178788169 6856347 CN(C)N/C=C/1\C=C(C=C(C1=O)[N+](=O)[O-])Cl 1 -2.e-003 3 3 0 -1.74136352176076 6855221 CCOC1=C/C(=C/C2=C(NC(=O)S2)N)/C=CC1=O 1 0.771 2 3 0 -1.12536734383484 6854612 CC1=CC(=NN1)C(=O)NN/C=C/2\C=CC=C(C2=O)[N+](=O)[O-] 1 -0.233 5 4 0 -7.747772005797 6854486 CC1=CC(=NC(=N1)N/C(=N\C(=O)NC2=CC(=C(C=C2)Cl)Cl)/NC3=CC(=CC=C3)Cl)C 1 5.44 6 1 0 -1.65215515249628 6854474 CC1=CC(=NC(=N1)N/C(=N\C(=O)NC2=CC(=CC=C2)Cl)/NC3=CC=CC=C3)C 1 4.111 6 1 0 -2.86728707711507 6854389 CC1=CC(=NC(=N1)N/C(=N\C(=O)NC2=CC(=C(C=C2)Cl)Cl)/NC3=CC=CC=C3)C 1 4.776 6 1 0 -3.684420172298 6853760 C1=CC(=C(C=C1C(F)(F)F)NC(=O)CCC(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-])Cl 1 1.691 4 5 0 -5.32628495057555 6852411 C1C[C@H]2C3C([C@@H]1O2)C(=O)OC3=O 1 -0.117 0 4 0 -0.191552586477428 6852408 C1[C@@H](C2C(O1)[C@H](CO2)O)O 1 -1.408 0 4 0 -1.45006612147864 6852407 C[C@@H]1[C@@H](O1)P(=O)([O-])[O-].[Na+] Na+ 1 -2.496 0 4 0 -3.4753232644252 6852398 CC(C)[C@@H](C(=O)NC(CCCN=C(N)N)C=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O 1 -0.529 10 6 0 -22.8566728948536 6852393 C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CCC(=O)C4)C 1 3.959 0 1 -6.20015911170976 6852392 CCCCC/C=C\C[C@@H](/C=C/C1=NC(=CC=C1)C[C@@H](CCCCO)O)O 1 4.611 1 3 -0.817058908619007 6852390 C[C@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O 1 0.181 0 6 0 -7.35140400147659 6852389 CN1CCC2=CC=CC3=C2[C@@H]1CC4=C3C(=C(C=C4)O)O.Cl Cl- 1 3.116 1 2 4.02243290816942 6852386 C[N+]1(CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[Br-] Br- 1 1.474 1 6 0 -7.35452467409433 6852385 C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(C[N+](CCO4)(C)C)O)O)C.[Br-] Br- 1 -0.561 2 4 0 2.70248661846664e-002 6852383 C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Ca+2] Na+ Ca+2 1 -7.512 2 8 0 -3.58329061642407 6852379 C=CCN1CCC2=C(CC1)SC(=N2)N.Cl Cl- 1 1.313 3 0 0 -4.04446592575515 6852377 C1=CC2C(=CN=NC2=NN)C=C1.Cl Cl- 1 0.822 4 0 0 -3.29738897929564 6852375 C1CNC[C@@H](C2=CC(=C(C=C21)O)O)C3=CC=CC=C3.Cl Cl- 1 2.631 1 2 -3.38964412805879 6852090 C1=CC=C(C=C1)CC2=NNC(=NC2=O)NCCO 1 0.506 4 2 0 -10.6835290774501 6852075 C1=COC(=C1)C2=NN3C(=NN=C3SCC(=O)N)C=C2 1 1.417 5 2 0 -11.7172835516022 6852072 CC1=CC(=NC(=O)N1)SCC(=O)C2=CC=CC=C2 1 2.223 2 2 -9.49697056834347 6852062 CCOC(=O)CNC(=O)CSC1=NC(=O)C(=NN1)C 1 -0.333 4 4 0 -23.822296647492 6852060 CC1=CC(=NO1)NC(=O)CSC2=CC=NC(=O)N2 1 0.69 4 3 0 -20.4674933445931 6852042 CC1=C(OC=N1)C(=O)NC2=NC=C(S2)[N+](=O)[O-] 1 0.102 4 4 0 -10.8822299745122 6851990 C1=CC=NC(=C1)/C(=N\C2=CC=CC=N2)/NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.081 6 2 0 -2.00458189079554 6851411 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@@H]3C(=O)O 1 2.61 2 5 0 -15.1244603755247 6851207 CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2)CC(=O)N[C@@H](C)C(=O)O 1 3.201 1 6 0 -19.8914077065848 6851204 CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=CC=C4)CCC(=O)N[C@@H](C)C(=O)O 1 3.793 1 6 0 -17.3747732855711 6851203 CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=CC=C4)CC(=O)N[C@@H](C)C(=O)O 1 3.337 1 6 0 -12.4525531336479 6851192 CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O 1 2.868 1 6 0 -7.51924400949632 6851185 CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O 1 2.626 1 7 0 -5.75030792803568 6851174 CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC=CC=C4)CC(=O)N[C@@H](C)C(=O)O 1 3.823 1 6 0 -10.0188761337558 6851158 CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC(CC2)C(=O)O 1 2.355 2 5 0 -17.1723536704506 6851005 CC1=CC=C(C=C1)S(=O)(=O)/N=C(\N)/NC2=NC3=CC=CC=C3C(=N2)C 1 2.354 5 2 0 -5.68506859761293 6850924 CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C)/NC(=S)NC2=CC=CC=C2 1 3.353 3 2 -9.29312808704861 6849785 C1CCN(CC1)C(=N)C(=NNC2=CC=CC=C2[N+](=O)[O-])C#N 1 2.206 6 2 0 -5.25377973213519 6849703 COC1=CC=C(C=C1)NN=C(C=NOC)C(=O)C2=CC=C(C=C2)F 1 3.398 3 3 -1.50732752817646 6848341 C1COCCN1C(=N)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])C#N 1 0.976 6 3 0 -5.13944174375597 6847250 CC1=CC2=C(C=C1)NC3=C2N=NC(=N3)NN=CC4=CC(=CC=C4)O 1 3.451 6 1 0 -4.8433244451029 6847066 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NN=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br 1 1.763 6 4 0 -14.2011902497223 6846557 COC1=CC(=C(C=C1)C=NNC2=NN=CC3=CC=CC=C32)OC 1 2.608 4 2 3.77524603721773 6845263 CN(C)CCNC(=O)C=NO 1 -0.623 3 2 0 -3.73150613513354 6844086 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NN=C2C(=O)C3=CC=CC=C3OC2=O 1 2.867 3 5 0 -14.4415421910494 6843557 C1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)Br)NN=C3N=NN=N3 1 5.779 8 0 0 -3.43677424661653 6842960 C1CC2=CC=CC=C2N(C1)CC(=O)NN/C=C/3\C(=O)C=CC4=CC=CC=C43 1 2.602 3 2 -10.9920475640308 6842389 CCC1=CC2=C(C=C1)NC3=C2N=NC(=N3)NN=CC4=CC(=CC=C4)O 1 3.907 6 1 0 -4.18931470514444 6842119 C1=CC=C(C=C1)C2=CN=NC(=N2)NN=CC3=CC=C(O3)C4=CC=CC=C4Cl 1 4.902 5 1 7.9034509959513 6841915 CC(=NNC1=NN=CC2=CC=CC=C21)C3=CC=C(C=C3)C(C)(C)C 1 4.022 4 0 3.02786417032258 6841056 CC(=NOCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)C3=CC=C(C=C3)OC 1 2.791 4 3 0 -8.52449707587297 6840487 COC1=C/C(=C/NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4)/C=CC1=O 1 0.781 8 4 0 -21.8338367077835 6838507 C1=CC(=CC=C1C(=O)NN=CC2=CC(=O)C(=O)C=C2)N3C=NNN3 1 -0.287 6 3 0 -7.85609940507072 6838420 CC(=NNC1=NN=CC2=CC=CC=C21)C3=CC(=CC=C3)OC(F)F 1 3.427 4 1 1.80798627775612 6838294 CC(=NNC1=NN=CC2=CC=CC=C21)C3=CC=C(C=C3)OCC(=O)N(C)C 1 1.87 5 2 0 -5.18960763340142 6837910 CN(C)N=CC1=CC=C(O1)C=NNC(=S)N 1 1.22 5 1 0 -4.72478435206465 6836350 CC(=NNC(=O)C1=CC=C(C=C1)OC)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=CC=C5 1 4.81 3 2 -0.14858337292486 6835673 CC(=NOCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)C3=C(C=C(C=C3)OC)OC 1 2.774 4 4 0 -8.02632413379196 6835541 CN(CCO)C1=CC=C(C=C1)C=NNC2=NN=CC3=CC=CC=C32 1 2.263 5 1 3.86384010705057 6835279 CC1=CC=C(O1)C=NNC2=NC(=CN=N2)C3=CC=CC=C3 1 2.574 5 1 2.77026406166023 6834114 COC1=CC=CC=C1C2=CN=NC(=N2)NN=CC3=CC=C(O3)C4=CC(=CC=C4)Br 1 4.97 5 2 0 5.13790162677287 6833945 C1CCCN(CC1)C(=N)C(=NNC2=CC=C(C=C2)F)C#N 1 2.973 5 0 -0.353420418244175 6833007 C1COCCN1C(=N)C(=NNC2=CC=C(C=C2)Br)C#N 1 1.83 5 1 0 -2.26825494799964 6831853 C1=CC=C(C=C1)C=NNC2=NN=C(C=C2)N3C=CN=C3 1 1.941 6 0 0 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C1=CC=C(C=C1)C2=CN=NC(=N2)NN=CC3=CC=C(O3)C4=CC=C(C=C4)Br 1 4.986 5 1 6.1337369965158 6808750 CC1=CC=C(C=C1)NN=C(C#N)C(=N)N2CCOCC2 1 1.568 5 1 0 -2.63359389348502 6808694 COC1=CC=CC(=C1OC)C=NNC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 3.174 6 2 0 -11.2176085727975 6808564 C1=CC(=CC=C1C=NO)C(=O)O 1 1.286 1 3 0 -0.564114638394865 6808482 C1=CC=C(C=C1)C2=C(SNN2)C(=O)N=C3C=C(C=CC3=O)Cl 1 1.946 3 2 0 -4.59129055702595 6808308 CON=CC(=NNC1=CC=CC=C1)C(=O)C2=CC=CC=C2 1 3.209 3 2 -3.22034436133795 6808292 C1=CC=C(C(=C1)C=NNC2=NC3=C(C(=O)NC(=O)N3)N=N2)F 1 0.994 7 2 0 -8.24925778412823 6808043 CN(C)CCCNC(=O)C(=NO)C1=CC=CC=C1 1 1.192 3 2 0 -7.27801455884487 6807874 CC(=NOCC(=O)NNC1=C2C=CC=CC2=NC1=O)C3=CC=C(C=C3)OC 1 0.797 4 4 0 -9.38660116420805 6806966 CC1=CC=CC=C1OCC(=O)NN=CC(=NNC(=O)COC2=CC=CC=C2C)C 1 2.524 4 4 0 -6.47221334376086 6806947 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NN=C3C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4 1 1.021 6 4 0 -15.1895998535563 6806750 COC1=CC(=CC(=C1)NN=C(C=NOC)C(=O)C2=CC=CC=C2)OC 1 3.176 3 4 0 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6 0 -8.84736538597326 6795301 CC(=NNC1=CC=C(C=C1)OC)C2=CN=NC(=N2)C3=CC=CC=C3 1 3.215 5 1 4.34912699637455 6795202 COC1=CC=C(C=C1)NN=C(C#N)C(=N)SCC2=CC=CC=C2 1 3.961 4 1 -1.36541969958839 6794932 C1=CC=C(C(=C1)C=NNC2=NN=C(C=C2)Cl)F 1 2.811 4 0 0.95936524753921 6793662 C1=CC=C(C=C1)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N=CNO 1 3.224 3 2 1.65137283101035 6791901 CC1=CC(=O)N=C(N1)NNC(=NN=C2C=CC(=O)C=C2)C3=CC=CC=C3 1 1.6 6 2 0 -11.4914065677992 6790265 CCOC1=CC=CC=C1C=NNC2=NN=C(C=C2)Cl 1 2.938 4 1 -0.619196496996827 6790259 CCC(=NNC1=CC=CC(=C1)C)C2=CN=NC(=N2)SC 1 3.827 5 0 2.06504249139702 6790149 COC1=CC(=CNN=C(C2=NON=C2N)N)C=C(C1=O)OC 1 -1.538 6 4 0 -5.46358961532472 6789359 C1CCN(CC1)C(=N)C(=NNC2=CC=CC=C2F)C#N 1 2.517 5 0 -2.49558808890784 6788178 COC1=CC=C(C=C1)NN=C(C=NOC)C(=O)C2=CC=CC=C2 1 3.193 3 3 -3.01485212115106 6787777 CN(C)C1=CC=C(C=C1)C=NNC2=NN=C(C=C2)N3C=CN=C3 1 2.103 7 0 0 -3.13900145389709 6787739 C1CCCN(CC1)C(=N)C(=NNC2=CC(=CC=C2)F)C#N 1 2.973 5 0 0.842511835645198 6787361 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CCN(CC)S(=O)(=O)C1=CN=C(C=C1)NC2CCN(CC2)CC3=CC=CC=C3 1 2.063 4 2 -8.16859340876903 4963675 CC1=CC=C(C=C1)CN(C)CC(=O)NC(C)C2=CC=CC=C2 1 3.41 2 1 -7.09140453287212 4963578 CC1=CC=C(C=C1)NC(=O)CN2C(=CSC2=O)C 1 1.638 2 2 0 -8.49426923740788 4963561 C1COCCN1C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl 1 2.837 3 3 1.010607330143 4963523 CC1CC2=CC=CC=C2N1CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.922 2 2 -5.50183277279354 4963516 CCOC(CNC1=C2C=C(SC2=NC=N1)C3=CC=CC=C3)OCC 1 3.905 3 2 -0.352889051403923 4963499 CCCCN(CCO)C1=C2C=C(SC2=NC=N1)C3=CC=CC=C3 1 4.412 3 1 -4.7198593367843e-002 4963490 C1=CC=C(C=C1)C2=NN(C(=O)O2)CC(=O)OCC(=O)NC3=CC=C(C=C3)F 1 2.276 3 5 0 -8.79702450497943 4963484 CC1CCC(CC1)NC(=O)CCNC(=O)C2=CC=CC=C2OC 1 2.439 2 3 -19.9256763403855 4963483 CN(CC1=CC=CS1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 3.038 2 4 -8.3792062885088 4963460 CC1=NN=C(S1)SCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2 1 1.071 3 3 0 -28.1278856868693 4963438 C1=CC=NC(=C1)CNC2=NC=C(C=C2)C(F)(F)F 1 2.145 3 0 1.09324952176851 4963437 CC1=NC2=C(C=C(C=C2)OC)C(=C1)NCCN3CCOCC3 1 1.917 3 2 0 0.972411811953994 4963433 CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)N3CCC4=CC=CC=C43)C 1 3.838 3 1 -3.39273993215099 4963426 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCC3=CC=C(C=C3)F)C 1 4.186 3 2 -11.3290597260391 4963418 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=NOC(=C2)C 1 1.394 3 3 0 -15.43943626893 4963407 C1=CC=C2C(=C1)NC(=N2)NC(=O)NC3=CC=CC=C3F 1 2.785 4 1 -3.30173961529849 4963385 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=CC=C(C=C3)F)NC(=O)C4=CC=CS4 1 4.167 3 2 -14.2744643275875 4963373 C1=CC2=C(C=C1C(=O)NCC3=C(C=C(C=C3)Cl)Cl)NC=N2 1 3.465 3 1 -8.03390143259763 4963339 CCCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NC(C)CC 1 3.738 1 2 -16.3138426201698 4963334 CC(C)CC(C(=O)N1CCC2=CC=CC=C2C1)N3C(=O)C4=CC=CC=C4C3=O 1 3.502 2 3 -17.6209911968229 4963319 CC1=CC=C(C=C1)NC(=O)C[N+]2=CN(C=C2)C3=C(C4=CC=CC=C4C3=O)[O-] 1 2.47 3 3 -2.93059356126086 4963299 CC1CN(CC(O1)C)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 2.038 1 5 -15.1345210124338 4963298 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(O2)Br)S(=O)(=O)N(C)C 1 2.181 2 4 -11.7314197984449 4963295 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC(=NC(=C3)Cl)Cl 1 2.495 4 4 0 -20.8262591086748 4963286 CC(C)(C)C(=O)CSC1=NN=C(N1CC2CCCO2)C3=CC=CS3 1 3.848 3 2 -23.3231037665011 4963278 CC1=C(C=C(C=C1)NC(=O)CNC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N(C)C 1 3.207 3 3 -11.5828836618556 4963271 CCCCCN1C2=C(C(=C1N)C3=NC4=CC=CC=C4O3)C(=NN(C2=O)C)[N+](=O)[O-] 1 3.414 6 4 0 -2.39944421319745 4963220 CC1CCCN(C1)CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O 1 4.11 1 2 -8.43442452633558 4963218 CCOC(=O)C1CCCN(C1)CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O 1 3.685 1 4 -11.5572175175942 4963217 C1CN(CC2=CC=CC=C21)CC(COC(C3=CC=CC=C3)C4=CC=CC=C4)O 1 4.532 1 2 -11.735019092599 4963216 CCN(CC)CC(COC(C1=CC=CC=C1)C2=CC=CC=C2)O 1 3.571 1 2 -9.47080427437217 4963214 CN(CC(COC(C1=CC=CC=C1)C2=CC=CC=C2)O)C3CCCCC3 1 4.732 1 2 -10.5215187957944 4963136 CC1CC(CN(C1)C(=O)C2=CC3=C(S2)CCC3)C 1 3.68 1 1 -11.9145023040364 4963132 CN(CC(COCC1=CC=CC=C1F)O)C2CCCCC2 1 3.325 1 2 -7.08129833192787 4963102 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NOC(=C2)C 1 1.567 3 4 0 -22.9560891776973 4962992 C1CCC(C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 2.998 1 3 -8.77595207603828 4962934 CC12CCC3C1(COC2(C3)C(=O)NC4=NC=CS4)C 1 1.354 2 2 0 -5.88415263128643 4962901 C1=CC=C2C(=C1)N=C(C(=N2)Cl)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 4.136 3 2 1.24435418282784 4962866 C1=CC=C(C=C1)N2C=C3C4=CC=CC=C4NC(=O)C3=N2 1 2.958 3 1 3.00384229195888 4962864 CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)O 1 2.903 2 3 -3.16930414386069 4962855 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)O 1 3.142 1 3 -7.66572508496583 4962812 CCS(=O)(=O)N1CCC(CC1)C(=O)O 1 -0.179 1 4 0 -18.0384738113227 4962804 CN1C2=CC=CC=C2N=C1CC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.347 2 4 -3.48489190059192 4962774 C1=CC2=C3C(=C1)N(S(=O)(=O)C3=CC=C2)CCC(=O)O 1 1.331 1 4 0 -4.3995203390438 4962738 CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)O 1 2.903 2 3 0.311001491213141 4962695 C1CC(N(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)O 1 0.903 2 4 0 -6.39759922652307 4962650 C1=CC2=C3C(=C1)N(S(=O)(=O)C3=CC=C2)CCBr 1 2.411 1 2 3.70787334236822 4962642 C1CC2=CC(=CC3=C2N(C1)C(=O)C3)C(=O)CCl 1 1.828 1 2 0 -9.11364198983869 4962629 CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2Cl 1 3.886 3 2 0.902232360984693 4962595 C1=CC=C2C(=C1)N=C(S2)CCN 1 1.461 2 0 0 0.771013572120022 4962569 C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CCl 1 1.022 1 3 0 -14.7829092807301 4962514 C1COCCN1C(=O)C(C2=CC=CC=C2)Cl 1 1.518 1 2 0 -7.85790049862567 4962513 C1CCN(C1)C(=O)C(C2=CC=CC=C2)Cl 1 2.292 1 1 -5.935135534682 4962453 C1C(N(C2=CC=CC=C2S1)C(=O)CCl)C3=CC=CC=C3 1 3.661 1 1 -2.63807006001758 4962447 CC1C(=O)N(C(=S)N1)CC2=CC=CC=C2 1 2.207 2 1 -3.36888255557624 4962446 C1CCCC(CC1)N2C(=O)CNC2=S 1 2.453 2 1 -7.83356976744174 4962437 C1=CC=C2C(=C1)C3=C(O2)C(=O)N(C=N3)CC(=O)O 1 1.032 2 4 0 -6.03987157831253 4962426 CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)O 1 2.625 2 3 -2.23609437828234 4962418 CC1=CC(=CC=C1)N2C(=C(C3=C2N=CN=C3N)C)C 1 3.236 4 0 3.21722540628884 4962417 CC1=CC=C(C=C1)N2C(=C(C3=C2N=CN=C3N)C)C 1 3.236 4 0 0.893685508542482 4962416 CC1=C(N(C2=C1C(=NC=N2)N)C3=CC=C(C=C3)OC)C 1 2.734 4 1 0.669015893732146 4962371 CC1=C(N(C2=C1C(=NC=N2)N)C3=CC=C(C=C3)Cl)C 1 3.414 4 0 2.9039807934631 4962335 COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)N 1 1.622 3 4 0 -3.79973484540731 4962322 C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-] 1 2.741 4 4 0 -6.60277604210169 4962290 C1CCCN(CC1)S(=O)(=O)C2=CNC(=S)C=C2 1 0.964 2 2 0 -10.8536631572009 4962255 COC1=CC=C(C=C1)N2C(=O)C(=O)NC2=O 1 0.684 2 4 0 -3.59370596231387 4962192 C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NOC(=N3)CC#N 1 3.07 3 1 -9.88777365168482 4962172 CN(C1CCCCC1)S(=O)(=O)C2=CNC(=S)C=C2 1 1.449 2 2 0 -4.48114529686392 4962134 C1COCCN1S(=O)(=O)C2=CNC(=S)C=C2 1 -0.722 2 3 0 -12.8118458786506 4962104 C1=CC=C(C=C1)CN2C(=CNC2=S)C3=CC=C(C=C3)F 1 3.952 2 0 1.92244054201292 4962103 CC1=CC=C(C=C1)C2=CNC(=S)N2C3=CC=CC=C3 1 4.321 2 0 0.313177015286315 4962102 CC1=CC=C(C=C1)C2=CNC(=S)N2C3=CC=CC=C3F 1 4.527 2 0 1.7230090363597 4962093 CC1CCCN(C1)C(=S)SCC(=O)OC 1 3.148 1 2 -11.3837119958841 4962092 CC1CCCC(N1C(=S)SCC(=O)OC)C 1 3.583 1 2 -12.5594815079067 4962090 CCOCCCN1C(=O)C2=CC=CC=C2N=C1NN 1 0.613 4 2 0 -5.61659702203934 4962089 CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1NN 1 0.991 4 2 0 -5.36689293149839 4962086 CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2NN)C 1 2.882 4 1 -4.20513736571587 4962085 C1=CC(=CC(=C1)Cl)NC2=NNC(=S)S2 1 3.674 3 0 -1.37663729950257 4962070 CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)O 1 1.855 3 5 0 -5.80706476243089 4962067 C1=CC=C(C=C1)C2=NN(C(=O)O2)CC(=O)O 1 1.208 2 4 0 -7.2182539885406 4962066 C1CCC(C1)(CC2=NC3=CC=CC=C3N2)C(=O)O 1 2.871 2 2 0.349816393244803 4962065 CC1=NC(=NC2=C1CCCC2)N 1 1.628 3 0 0 -1.99771913925011 4962062 C1COC(CN1CC2=CC=CC=C2Cl)CCl 1 2.949 1 1 -0.860285240246197 4962061 C1CCC2(C1)C(C(=NC(=C2C#N)S)N)C3=NC(=CS3)C4=CC=CC=C4 1 3.937 4 0 -0.758856242480793 4962058 C1CCN(CC1)S(=O)(=O)C2=CNC(=S)C=C2 1 0.508 2 2 0 -10.8536631572009 4962052 CCN1C(=CNC1=S)C2=CC=CC=C2 1 2.512 2 0 4.90561845288842e-003 4962048 CN1C(=CNC1=S)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.681 2 0 2.09564035423704 4962047 COC1=CC=CC(=C1)N2C(=CNC2=S)C3=CC=CC=C3 1 3.818 2 1 0.276058459401831 4962046 C1=CC=C(C=C1)C2=CNC(=S)N2C3=CC(=CC=C3)Cl 1 4.499 2 0 3.94887009110449 4962045 CC1=C(C(=CC=C1)N2C(=CNC2=S)C3=CC=CC=C3)C 1 4.807 2 0 2.7912108358433 4962043 COC1=CC=CC=C1N2C(=CNC2=S)C3=CC=CC=C3 1 3.818 2 1 -1.88025654467046 4962041 CC1CCCC(N1C(=S)SCC(=O)O)C 1 3.358 1 2 -11.6784704157182 4962040 CC1CCCN(C1)C(=S)SCC(=O)O 1 2.922 1 2 -10.5027009036956 4962039 CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)O)C 1 1.619 2 5 0 -37.1099516181463 4962038 CCOC(=O)C(=O)C1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)C 1 3.522 2 3 -0.494088528419988 4962027 CC(=O)NCC1=CC=C(S1)C(=O)CCl 1 1.261 1 2 0 -6.54459760048746 4962025 CC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(=O)O)SC(=N3)N4CCCCC4 1 4.022 3 2 -1.72825672422536 4962022 CC1=NC2=C(C=CS2)C(=O)N1N 1 0.123 3 1 0 -6.27390637060102 4962018 CC(C)CC(C1=CC=CC=C1)NC(=O)CCl 1 3.099 1 1 -9.85094566431687 4962012 CC1=C(N(C(=C1C#N)NC(=O)CCl)CC2=CC=C(C=C2)F)C 1 3.206 3 1 -9.20214750566664 4962005 C1=CC=C(C=C1)C2=CNC(=S)N2C3=CC=CC=C3Cl 1 4.499 2 0 1.0667824716235 4962004 CCN1C(=CNC1=S)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.03 2 0 2.00109606062851 4961984 CCN(CC1=CC(=C(C=C1)OC)F)C(=O)CCl 1 2.233 1 2 -8.51154151273518 4961982 CCCN(C1=CCCCC1)C(=O)CCl 1 2.593 1 1 -7.82372220631885 4961958 C1CC2=CC=CC=C2C3(C1)C(=O)N(C(=O)N3)CC(=O)O 1 1.196 2 4 0 -6.27095340563318 4961955 CN(CC1=CC=C(C=C1)Cl)C(=O)CCl 1 2.36 1 1 -4.7118646179496 4961932 CC1=CC=C(C=C1)SC2=C(CCCC2)C(=O)O 1 4.056 0 2 -1.04025943594108 4961902 CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)O 1 1.904 2 4 0 1.21802678589681 4961867 C1=COC(=C1)C(=O)NC2=NC(=CS2)CC(=O)O 1 1.1 2 4 0 -7.18043142631786 4961864 CN1C=CN=C1C(=O)C2=CC=C(C=C2)N 1 0.987 3 1 0 -1.96713285970059 4961858 CC1=C(SC(=N1)NCCC2=CC=CC=C2)C(=O)O 1 2.272 2 2 -5.63927142251642 4961852 CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)C=O 1 0.175 2 3 0 -10.8363689169616 4961836 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC 1 0.45 2 2 0 -6.28067521862814 4961825 CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)Cl 1 2.313 2 2 -6.47854895860182 4961822 CN(C1CCCC2=CC=CC=C12)C(=O)CCl 1 2.711 1 1 -3.83079765685558 4961805 C1=CC(=CC(=C1)Cl)N2C=CN=C2SCC(=O)O 1 2.729 2 2 -2.74473353950982 4961804 CC(C)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)O 1 3.258 2 2 -6.22851381388467 4961800 CC1=C(C(=NN1C2=CC=CC=C2)C)CNC 1 2.022 3 0 -0.616281045131504 4961796 CCCCN1C(C(CCC1=O)C(=O)O)C2=CC=C(C=C2)OC 1 2.535 1 4 -7.66410039826177 4961795 CC(C)(C)C1CCC2=C(C1)C=C(S2)C3=NN=C(O3)CCl 1 4.425 2 1 -8.57762802677063 4961793 CC(C)CN1C2=C(C=C(C=C2)Cl)NC1=S 1 4.746 2 0 -1.41651385861751 4961787 CC1=CC(=C(C=C1)C)N2C=CN=C2SCC(=O)O 1 3.037 2 2 -7.85694031083581 4961786 CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)O)C 1 3.037 2 2 -7.49553341033678 4961785 CC1=CC=CC=C1N2C=CN=C2SCC(=O)O 1 2.55 2 2 -9.34008190277525 4961784 CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)O)C 1 3.037 2 2 -7.61376728265963 4961783 CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)O)C 1 3.037 2 2 -6.30995676103732 4961781 CC(C)C1=CC=CC=C1N2C=CNC2=S 1 3.281 2 0 -3.20418692363808 4961780 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)OC 1 1.66 3 6 0 -24.458235684427 4961777 C1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(S3)Cl 1 2.743 1 4 -11.2331261534312 4961773 CC1=CC(=C(C=C1)C)N2C=CNC2=S 1 3.059 2 0 -2.00693820042616 4961772 CC1=C(C(=CC=C1)N2C=CNC2=S)C 1 3.059 2 0 0.155211923964182 4961771 CC1=CC=CC=C1N2C=CNC2=S 1 2.573 2 0 -2.15117612795766 4961769 CCCC(C1=CC=CC=C1)NC(=O)CCl 1 2.847 1 1 -11.5551452052061 4961761 CC1(C(=O)NC(=O)N1)CCC2=CC=C(C=C2)O 1 1.405 2 3 0 -0.815157846050842 4961760 CC1(C(=O)N(C(=O)N1)CC(=O)O)CCC2=CC=CC=C2 1 1.335 2 4 0 -6.55732879087104 4961737 C1=C2C(=CC(=C1NC(=O)CCl)Br)NC(=O)N2 1 1.094 3 2 0 -12.482013804517 4961736 CC1CCC2=C(C1)C=C(S2)C(=O)NN 1 1.928 2 1 0 -5.81875725299382 4961735 CC(C)NCC1=NN=C(O1)C2=CC=CC=C2Cl 1 2.25 3 1 -4.45601601889743 4961713 CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)O)C 1 3.037 2 2 -4.98083278686645 4961712 CC1=CC(=CC(=C1)N2C=CNC2=S)C 1 3.059 2 0 -2.62404533318467 4961710 COC(=O)C1CC2=CC=CC=C2CN1C(=O)CCl 1 1.612 1 3 0 -6.21029408056186 4961704 CC1=C(C=C(C=C1)N2C=CNC2=S)C 1 3.059 2 0 -3.43040464926077 4961690 CC1=C(C=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)O)C(=O)O 1 1.15 1 6 0 -23.791127638541 4961688 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O)OC 1 0.111 3 7 0 -22.00799641191 4961669 C1CCC2=C(C1)C=C(S2)C3=NN=C(O3)CCl 1 3.259 2 1 -8.22972350079211 4961662 C1C(N(N=C1C2=CC=CO2)C(=O)CCl)C3=CC=CS3 1 2.526 2 2 -7.20255454532971 4961661 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O 1 0.114 2 6 0 -16.7168286625018 4961660 CC1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.689 2 5 0 -16.6646322180977 4961656 CC(C)CN1C(=CNC1=S)C2=CC=C(C=C2)Br 1 4.103 2 0 -1.71926399394656 4961650 CC1CCC2=C(C1)SC(=C2C(=O)C3=CC(=CC=C3)C)N 1 4.395 1 1 -2.63694533312871 4961648 CC1=CC=C(O1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCl 1 2.671 2 2 -7.19194433429691 4961647 C1C(N(N=C1C2=CC=CO2)C(=O)CCl)C3=CC=CO3 1 1.968 2 3 0 -8.0946585027289 4961646 CC1=CC=C(O1)C2=NN(C(C2)C3=CC=CO3)C(=O)CCl 1 2.113 2 3 -7.92563602463998 4961645 CC1=C(C2(CCCCC2)C(=C(N1)S)C#N)C(=O)NC3=CC=CC=C3 1 3.523 3 1 -10.2710038519321 4961643 CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O 1 1.366 2 6 0 -17.9613197828351 4961636 CC(C1=NNC(=S)N1C2=CC=CC=C2)N3CCCCC3 1 3.421 4 0 -6.69862584847337 4961635 CCOC(=O)C1=C(SC2=C1CCSC2)N 1 1.775 1 2 0 -4.26570934739793 4961630 CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)CCl 1 3.242 2 2 -12.5604687762743 4961626 CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C 1 0.677 2 5 0 -22.3877670260469 4961625 C1=CC=C2C(=C1)C=CC=C2CN3C=CSC3=NC(=O)CCl 1 3.071 2 1 -5.12537088335147 4961621 CC(CCC1=CC=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O 1 3.773 1 4 -12.2921966522943 4961610 CC1=CC=C(C=C1)N2C(=CNC2=S)C3=CC=CC=C3 1 4.321 2 0 9.99637941133481e-002 4961592 CC1=CC(=CC=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O 1 3.042 2 4 -14.1162243203859 4961590 CC(C)OCCCN1C(=CNC1=S)C2=CC=C(C=C2)Br 1 3.569 2 1 -2.35247177112289 4961584 CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)O 1 1.235 3 4 0 -11.5387410962109 4961580 C1CC(N(C1)C(=O)CCl)C2=CC3=C(C=C2)OCCO3 1 1.971 1 3 0 -3.38633272133793 4961576 CCOC1=CC=C(C=C1)N2C(=CNC2=S)C3=CC=CC=C3 1 4.167 2 1 -1.07922556673881 4961574 COC1=CC=CC=C1N2C(=CNC2=S)C3=CC=C(C=C3)Cl 1 4.483 2 1 0.58467155924396 4960106 CCCOC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C 1 2.842 3 3 -10.3709541345344 4957892 CCC(=O)NC1=CC=C(C=C1)OCC2CCCO2 1 1.959 1 3 0 -9.36332341033502 4957874 C1CC(OC1)COC2=CC=C(C=C2)NC(=O)CCC(=O)O 1 1.138 1 5 0 -14.9909347851427 4957475 CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C 1 2.318 3 3 -10.8259429185476 4957459 CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 2.048 2 4 -15.1512757431919 4957424 CCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C 1 2.573 3 5 0 -18.6207062714765 4957414 CCOC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2 1 2.954 1 2 -9.90240739601173 4955493 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N 1 5.759 3 1 -19.5645937778012 4953656 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)OC3=CC=C(C=C3)C(C)C 1 3.754 3 5 0 -19.3138699875589 4953377 CCC1=CC=C(C=C1)OC(C)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 2.978 2 4 -16.0938603583251 4953336 CCC1=CC=C(C=C1)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 3.361 3 4 0 -13.9007134179079 4953335 CCC1=CC=C(C=C1)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C 1 3.503 3 5 0 -20.2193333383065 4952757 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3 1 2.817 2 3 -3.36980372832696 4951892 CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.398 3 4 0 -19.4245804420784 4950178 C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3F 1 2.387 2 3 -17.4291042436685 4950135 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 1.894 3 3 0 -19.2482675449319 4950080 CCC(C(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)OC3=CC=C(C=C3)C 1 3.045 2 4 -16.0133137920272 4948552 CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.021 3 4 0 -18.9896115137878 4947978 CCCOC1=CC=CC=C1C(=O)N2CCNC(=O)C2CC(=O)OC(C)C 1 1.795 2 5 0 -29.007192230206 4947928 CCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.545 3 4 0 -18.6216315377607 4944987 CC(C)OC(=O)CC1C(=O)NCCN1C(=O)COC2=CC=C(C=C2)C(C)(C)C 1 2.175 2 5 0 -24.9686983194803 4944950 CCOC(=O)CC1C(=O)NCCN1C(=O)COC2=CC=C(C=C2)C(C)(C)C 1 1.797 2 5 0 -23.5688667144965 4944777 CC1=CC(=C(C=C1)C)OC(C)C(=O)NC2=NC=CS2 1 2.903 2 2 -6.76682607753258 4944069 CC(C(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)OC3=CC=C(C=C3)Cl 1 2.7 2 4 -14.0324235319592 4943959 CC(C(=O)N1CCCC2=CC=CC=C21)OC3=CC=C(C=C3)Cl 1 4.335 1 2 -8.7344660546842 4943720 CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)Cl 1 2.65 3 2 -6.29312864532543 4943689 CC1=CC=C(C=C1)OC(C)C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C 1 2.791 3 3 -11.5290893979016 4943677 CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3Cl 1 2.485 3 3 -9.8285462084931 4943673 CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C 1 2.793 3 3 -8.41727589684582 4943672 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C 1 3.386 3 2 -6.09051371383401 4943590 CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3Br 1 2.734 3 2 -7.40149819479088 4943179 CC(C(=O)N1CCC2=CC=CC=C21)OC3=CC=CC=C3OC 1 3.198 1 3 -15.2883650677638 4942535 CN(C)C(=O)C1=CC=CC=C1NC(=O)CC2=CC=CC3=CC=CC=C32 1 2.971 2 2 -10.2486069794504 4940211 CC(C(=O)N1CCN(CC1)C(=O)C(C)OC2=CC=CC=C2)OC3=CC=CC=C3 1 2.764 2 4 -9.41195047414513 4940140 CC(C(=O)NNC(=O)NC1=CC=CC=C1)OC2=CC3=CC=CC=C3C=C2 1 3.007 3 3 -4.93646950024559 4939934 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C)OC3=CC=CC=C3 1 2.008 3 4 0 -21.8575838292545 4939412 CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3 1 3.232 2 2 -15.7444796960887 4939347 CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)NC3=CC=CC=C3 1 3.105 3 2 -13.7887534935068 4939340 CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3 1 3.151 2 2 -14.8401376925884 4938737 CC(=O)NC1=CC=C(C=C1)OC(=O)CC2=CC=C(C=C2)Cl 1 3.081 1 3 -6.77190785589555 4938440 CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.545 3 4 0 -18.5346227297745 4938089 CC1=CC=C(S1)C=NNC(=O)CC2=CC=C(C=C2)Cl 1 3.481 2 1 -0.994740922416308 4937925 CC(=NNC(=O)C1=CC=CC=C1OCC2=CC=CC=C2)C3=C(C=C(C=C3)OC)OC 1 4.198 2 4 -8.22364774060777 4937818 C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl 1 4.066 2 2 -9.60368554722725 4937385 CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=O)C3CC3 1 2.705 2 2 -8.56634169474471 4936683 C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)Cl 1 3.645 2 2 -10.2501434998054 4936677 C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)Cl 1 3.188 2 2 -9.89567498563736 4936236 CCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OC(C)C 1 2.251 2 5 0 -29.1729038409239 4936079 CC1=CC(=CC=C1)OC(C)C(=O)NC2=CC=CC=C2C(=O)N3CCCCC3 1 3.751 2 3 -13.9889804266455 4936043 C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3Cl 1 3.445 2 3 -12.5855825833619 4935995 CC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)N3CCCCC3 1 3.267 2 3 -11.8370325921613 4935693 C1CN(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3 1 3.457 1 2 -8.44059818757695 4935418 C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3 1 2.216 2 3 -18.9662955121107 4933116 CC1=CC=C(C=C1)OC(C)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 2.522 2 4 -15.854422222546 4933102 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3Cl 1 2.216 2 4 -14.1538790331374 4933096 CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 2.524 2 4 -12.7426087214902 4933066 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)COC3=CC=C(C=C3)Br 1 2.3 2 4 -13.0399900964515 4933060 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)Br 1 2.448 2 4 -13.8582287900426 4933055 CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 2.702 2 4 -9.57065415937617 4933015 CC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 2.745 2 4 -13.1218693452853 4933014 CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 2.524 2 4 -15.9021962487686 4933013 CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)C 1 2.524 2 4 -13.6533023910407 4933011 CC(C)C1=CC=CC=C1OCC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 2.745 2 4 -14.4751172271689 4932446 COC1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 2.508 2 3 -12.1306398853683 4932418 CC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 2.811 2 3 -11.4825640779932 4932099 CC(C(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)OC3=CC=CC=C3Cl 1 2.7 2 4 -17.0187877063448 4932013 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2)OC3=CC=CC=C3Cl 1 3.083 3 4 0 -14.6572277689153 4932012 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl 1 3.224 3 5 0 -20.9758476893139 4932006 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC3=CC=CC=C3Cl 1 3.176 2 4 -22.5839673462558 4931103 CC1=CC(=CC=C1)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.998 2 4 -21.1934752868197 4930405 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3 1 1.75 3 3 0 -21.9197617993022 4929656 CCC(C(=O)NC1=CC=CC=C1C(=O)N2CCN(CC2)C)OC3=CC=CC=C3 1 2.829 3 3 -12.3446279763641 4929646 CCC(C(=O)NC1=CC=CC=C1C(=O)N2CCCCC2)OC3=CC=CC=C3 1 3.789 2 3 -15.1016643512329 4929642 CCC(C(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)OC3=CC=CC=C3 1 2.559 2 4 -16.6699608010084 4928584 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C1=CC=NC(=C1)CNC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 1.591 2 4 0 -14.886523412129 4910373 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)NCCCN3C=CN=C3 1 2.126 3 4 0 -12.3582445644592 4910360 CCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.821 5 4 0 -5.56861165662459 4910359 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(C)C(=O)NCC3=CC=CC=N3 1 3.007 2 4 -16.1855558360803 4910349 CCN1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C 1 3.047 5 3 0 -7.5130951122451 4910337 CC(C(=O)NCC(C1=CC=CC=C1)O)OC2=CC3=C(C=C2)C4=C(CCCC4)C(=O)O3 1 3.933 1 5 -17.2951631163716 4910283 CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NCC3=CC=CC=N3 1 3.436 2 4 -15.3407554315288 4910308 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)NC3CC3 1 2.811 1 4 -12.6941648079728 4910270 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 4.016 2 4 -8.17449472168385 4910250 C1CN(C2=CC=CC=C21)C(=O)C3=CC4=C(N3)C=CC(=C4)F 1 3.685 2 1 -2.68629483621032 4910217 CN(C)C1=CC=C(C=C1)N2C3CS(=O)(=O)CC3SC2=NC(=O)CC4CCCCC4 1 4.229 3 3 -15.8305008936442 4910187 CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)F 1 3.789 2 1 0.248832205873146 4910162 C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OCC(=O)NCCN4CCOCC4 1 2.411 2 5 0 -19.8141232241259 4910155 CC(C(=O)NCCCN1CCOCC1)OC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4 1 2.794 2 5 0 -13.1841500127627 4910154 COC1=CC=CC(=C1)CN2C3CS(=O)(=O)CC3SC2=NC(=O)C4CC4 1 2.443 2 4 -13.2882562563098 4910138 COC1=CC2=C(C=C1)C=C(N2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.425 3 3 0.762761555562343 4910132 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)NCCCN3C=CN=C3 1 2.62 3 4 0 -13.2587364499428 4910119 C1CC(OC1)C(=O)N=C2N(C3CS(=O)(=O)CC3S2)CC4=CC=CC=C4 1 2.034 2 4 -18.4462276187159 4910088 CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OC(C)C(=O)NCC4=CC=NC=C4 1 3.78 2 4 -15.5242524883688 4910072 CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NCCCN3CCCC3=O 1 2.504 2 5 0 -26.4956770730505 4910064 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)NCC3=CC=NC=C3 1 2.755 2 4 -13.9165525456293 4910060 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4905868 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)NCCCN3CCCC3=O 1 2.038 2 5 0 -26.7522233298227 4905858 CC1=C2C(=O)C3=C(CCCC3)N=C2N(N1)C4=CC=C(C=C4)OC 1 2.35 3 2 -7.01550227173419 4905846 CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC3CC3 1 3.277 1 4 -12.4376185512006 4905842 CSC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SC)O)C(=O)C4=CC=CO4 1 3.456 3 4 0 -17.6618705181094 4905838 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 4.026 2 4 -8.46992108205255 4905820 C1CCC(C1)CCC(=O)N=C2N(C3CS(=O)(=O)CC3S2)C4=CC=CC=C4F 1 4.272 2 3 -11.445789409763 4905808 CCC(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC=C(C=C3)Cl 1 4.178 2 2 1.96893807120777 4905783 CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)NCCCN3C=CN=C3 1 3.076 3 4 0 -12.7067638328019 4905778 CCC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)N4C(=O)C5=CC=CC=C5NC4=O 1 2.353 4 5 0 -12.1291825453775 4905770 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.911 2 6 0 -18.701256232007 4905762 CC(C(=O)N=C1N(C2CS(=O)(=O)CC2S1)C3=CC=CC=C3OC)OC4=CC=CC=C4 1 3.662 2 5 0 -13.1790795251602 4905748 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)NC3CCN(CC3)CC4=CC=CC=C4)C 1 4.016 2 4 -5.7750189691011 4905699 CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NCCCN3CCOCC3 1 1.764 2 5 0 -13.8762835570677 4905679 CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3)N=C1CCN4CCN(CC4)C5=CC=CC=N5 1 3.704 6 2 0 -0.177078914918239 4905646 CSC1=NC(=O)C2=C(N1)NC(=O)CC2C3=CC(=CC=C3)Cl 1 2.49 3 2 -8.21984407824939 4905594 C1CC1C(=O)N=C2N(C3CS(=O)(=O)CC3S2)C4=CC=C(C=C4)F 1 2.658 2 3 -13.1617912287685 4905540 CCC(C(=O)NC1=CN=CC=C1)N2C(=O)C3=CC=CC=C3NC2=O 1 1.264 4 3 0 -15.4978400241386 4905543 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N=C1CCN4CCCC4 1 3.015 4 2 0.824196124330562 4905527 CC1=CC(=CC=C1)CN2C(=NC3=C2C(=O)NC(=O)N3C)CN4CCN(CC4)CC5=CC=CC=C5 1 3.571 6 2 0 -3.4102878097601 4905480 C1=CC=C2C(=C1)C(=O)N(N=N2)CCCCCC(=O)NC3=CC=CC=C3C(=O)N 1 2.952 5 3 0 -30.0133119144586 4905472 C1C2=CC=CC=C2C(=N)N1NC(=O)C3=CC=C(O3)Br 1 1.848 3 2 0 -7.02191442478074 4905442 C1CC1C(=O)N=C2N(C3CS(=O)(=O)CC3S2)C4=C(C=C(C=C4)Br)Cl 1 3.865 2 3 -9.9629646665215 4905426 CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(N2)C=C(C=C3)OC 1 3.396 2 2 1.76973810456549 4905418 CC1=CC=C(C=C1)C2=NC3=C(COC(C3)(C)C)C(=N2)SCC(=O)N4CCOCC4 1 2.795 3 3 -13.7063022929117 4905417 CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NCCN3CCOCC3 1 1.702 2 5 0 -13.6834961185523 4905405 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(N2)C=C(C=C3)OC 1 2.623 2 4 -5.98592388996274 4905403 CC1=C(N(C2=C1C(=NC=N2)NCCN(C)C)C3=CC=C(C=C3)OC)C 1 2.955 5 1 0.935725077526542 4905401 CC(C(=O)NC1CC(NC(C1)(C)C)(C)C)OC2=CC3=C(C=C2)C4=C(CCCC4)C(=O)O3 1 3.6 2 4 -24.5857946362939 4905395 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)NCCCN3C=CN=C3 1 1.679 3 4 0 -12.8911802230683 4905380 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(C)C(=O)NCCCN3C=CN=C3 1 2.164 3 4 0 -13.4962457481833 4905344 CN1CCN(CC1)C(=O)C2=CC3=C(N2)C=C(C=C3)OC 1 1.769 3 2 0 1.27501167672026 4905325 CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=NC=C(C=C3)Cl 1 1.417 8 1 0 -13.0585974844006 4905323 CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OCC(=O)NCCCN4CCCC4=O 1 2.579 2 5 0 -26.7773654022508 4905310 CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)NCC3=CC=CC=N3 1 4.098 2 4 -15.9601839204112 4905301 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=N3)CCN4CCCC4)C 1 3.501 4 2 1.72020576356672 4905265 CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NCC(C3=CC=CC=C3)O 1 3.86 1 5 -12.2312165493769 4905226 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCCCN3C=CN=C3)C 1 1.64 3 4 0 -12.0341303942434 4905194 CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)F)F 1 1.775 7 1 0 -14.4654105320492 4905171 CCCCC(CC)C(=O)NC1=CC(=O)N=C2N1C3=CC=CC=C3N2 1 3.534 4 2 -13.5457847697723 4905160 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(C)C(=O)NCCN3CCOCC3 1 2.186 2 5 0 -17.0064754987819 4905153 CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)NCC3=CN=CC=C3 1 3.705 2 4 -15.7142097276605 4905143 CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)NCC3=CC=NC=C3 1 4.161 2 4 -15.4050964161116 4905097 CCCC(=O)NC1=CC2=C(C=C1)N3CCN(CC3=N2)CCOC 1 1.749 4 2 0 -9.92908654052251 4905085 COC1=CC=CC=C1N2C3CS(=O)(=O)CC3SC2=NC(=O)CCC4=CC=CC=C4 1 3.833 2 4 -12.4490282909844 4905063 CCN1C2=C(C=C3C=CC(=CC3=N2)C)C(=N1)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.821 5 4 0 -5.04920500007801 4905053 CC1CN(CC(O1)C)C(=O)C2=CC3=C(N2)C=CC(=C3)F 1 2.477 2 2 -3.98516452773322 4905049 CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NCCCN3CCOCC3 1 2.676 2 5 0 -15.8047154968011 4905026 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(=O)NCCCN4CCOCC4 1 2.796 2 5 0 -9.1170354623629 4905025 CCN1CCN(CC1)C(=O)C2=CC3=C(N2)C=C(C=C3)OC 1 2.118 3 2 -0.331644226730602 4904978 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCCCN3C=CN=C3 1 1.193 3 4 0 -11.9669092432933 4904971 CSC1=NC(=O)C2=C(N1)NC(=O)CC2C3=CC=C(C=C3)F 1 2.031 3 2 -9.45985967852901 4904960 C1CC(OC1)C(=O)N=C2N(C3CS(=O)(=O)CC3S2)CC4=CC=C(C=C4)Cl 1 2.699 2 4 -15.8094140233495 4904900 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)NCC3=CN=CC=C3 1 2.308 2 4 -16.4483731538717 4904895 CCN(C1CCCCC1)C(=O)C2=CC3=C(N2CCCOC)N=C4C=CC=CN4C3=O 1 2.605 4 3 0 -21.206734736566 4904868 CC(C(=O)NCC1=CC=CC=N1)OC2=CC3=C(C=C2)C4=C(CCCC4)C(=O)O3 1 3.509 2 4 -20.4830408589626 4904826 CC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2C)N4CCOCC4)C 1 3.061 4 1 -3.53511503696257 4904795 CC(C)CC(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC(=C(C=C3)OC)OC 1 4.189 2 4 -7.2632922110118 4904776 CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OC(C)C(=O)NC4CC(NC(C4)(C)C)(C)C 1 3.63 2 4 -20.9989452874873 4904760 COC1=CC(=C(C=C1)OC)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2 1 3.917 4 4 0 -29.149626303773 4904751 CC1=CC(=CC=C1)NC(=O)CN2C(=CC(=C(C2=O)C#N)COC)C 1 1.121 3 3 0 -8.36640485613655 4904725 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 3.996 2 4 -8.40436033686343 4904708 CCCC(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC(=CC=C3)C 1 4.456 2 2 -1.81614441326921 4904700 CC(=O)NC1=CC=C(C=C1)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O 1 1.282 4 3 0 -12.4178113200403 4904663 CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCC(C3=CC=CC=C3)O 1 4.345 1 5 -10.4557774085016 4904637 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 4.51 2 4 -10.4107394942405 4904604 CC(C(=O)NCCN1CCOCC1)OC2=CC3=C(C=C2)C4=C(CCCC4)C(=O)O3 1 2.687 2 5 0 -21.2285266046461 4904575 CCN1C2=NC3=CC=CC=C3C=C2C(=N1)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.335 5 4 0 -6.06717643229643 4904566 CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=NNC(=C3)C)C 1 2.337 7 1 0 -15.4279726803889 4904517 CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=C(C=C4)OC 1 3.943 2 5 0 -9.88023283929377 4904494 CC1=CC=CC(=C1)C2=NC3=C(COC(C3)(C)C)C(=N2)SCC(=O)N4CCOCC4 1 2.795 3 3 -10.601421246466 4904438 CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OCC(=O)NCC(C4=CC=CC=C4)O 1 3.935 1 5 -12.9439748418393 4904429 COC1=CC=C(C=C1)CN2C3CS(=O)(=O)CC3SC2=NC(=O)C4CC4 1 2.443 2 4 -13.1543717058245 4904405 CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)OC)OC 1 1.332 7 3 0 -20.1055969192399 4904384 CN(CC1=CC=CC=C1)C(=O)C2=CC3=CC(=C(C=C3N2)OC)OC 1 3.379 2 3 -1.56262442597429 4904379 CC1(CC(CC(N1)(C)C)NC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3)C 1 1.683 2 4 0 -17.1037772664425 4904355 CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3CCCO3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C 1 1.878 3 5 0 -19.4786673980155 4904346 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)NCC3=CN=CC=C3 1 2.755 2 4 -15.9154374952625 4904330 CN1C2=CC=CC=C2C3=C(C1=O)C(CC(=O)O3)C4=CC(=C(C=C4)O)OC 1 2.241 1 5 -1.02869544260706 4904302 CC(C(=O)NCC1=CN=CC=C1)OC2=C(C=C3C4=C(CCC4)C(=O)OC3=C2)Cl 1 3.502 2 4 -20.3756302499353 4904258 CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)N3C(=O)C4=CC=CC=C4N=N3 1 3.262 4 4 0 -24.0422732841821 4904249 CC1=C(N(C2=C1C(=NC=N2)NCCO)C3=CC=C(C=C3)OC)C 1 2.277 4 2 2.17916256178264 4904245 C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)NCC4=CC=NC=C4)OC2=O 1 2.809 2 4 -18.1598517965308 4904239 C1CCC(CC1)CC(=O)N=C2N(C3CS(=O)(=O)CC3S2)C4=CC=CC=C4 1 4.066 2 3 -13.4305177101737 4904227 C1CC(OC1)C(=O)N=C2N(C3CS(=O)(=O)CC3S2)C4=CC=C(C=C4)Br 1 2.776 2 4 -18.3983365260043 4904223 C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OCC(=O)NCC(C4=CC=CC=C4)O 1 3.657 1 5 -16.4334117152173 4904218 COC1=CC2=C(C=C1)C=C(N2)C(=O)N3CCC4=CC=CC=C43 1 3.463 2 2 -5.46896824746537 4904215 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)NCCCN3CCOCC3 1 2.21 2 5 0 -16.0612617535733 4904209 CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NCCN3CCOCC3 1 3.07 2 5 0 -14.3776775918664 4904196 CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)N3C(=O)C4=CC=CC=C4NC3=O 1 2.2 3 5 0 -19.2055723752983 4904185 CCN1C2=NC3=CC=CC=C3C=C2C(=N1)NS(=O)(=O)C4=CC=C(C=C4)C 1 3.926 4 2 -3.9727786449392 4904163 C1COCCN1CCCNC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4 1 2.31 2 5 0 -11.9919630570578 4904161 CC1=CC(=C(C(=O)N1CC(=O)NCC2=CC=CC=C2)C#N)COC 1 0.642 3 3 0 -15.3597516540183 4904115 CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.587 2 4 -7.30717956657351 4904113 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)NCCCN3CCOCC3 1 2.704 2 5 0 -16.9617536390569 4904099 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCCCN3C=CN=C3 1 2.106 3 4 0 -12.5126762626206 4904094 CN(C)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2 1 4.112 5 2 0 -29.1496022568715 4904063 CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NCC3=CC=CC=N3 1 4.07 2 4 -17.135411712891 4904059 COC1=CC=CC(=C1)N2C3CS(=O)(=O)CC3SC2=NC(=O)C4CCCO4 1 2.011 2 5 0 -18.7484429710368 4904047 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)NCC3=CC=CC=N3 1 2.523 2 4 -16.1302373469102 4904038 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCCCN3CCOCC3 1 2.19 2 5 0 -16.2156934517348 4903991 CN1CCN(CC1)CC2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)NC(=O)N3C 1 2.371 6 2 0 -4.26357103271646 4903965 CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)NCCCN4CCCC4=O 1 2.122 2 5 0 -26.4685552813661 4903964 CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCC3=CC=CC=N3)C 1 2.968 2 4 -15.9910613548634 4903963 C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OCC(=O)NCC4=CC=CC=N4 1 3.233 2 4 -19.5429505973691 4903947 CCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NCC3=CC=CC=N3 1 2.979 2 4 -12.7710692021627 4903930 CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC(=O)NCC(C4=CC=CC=C4)O 1 3.479 1 5 -15.6689877702385 4903904 CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)NCC4=CC=NC=C4 1 2.839 2 4 -14.0639544604348 4903875 CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)NC4CC(NC(C4)(C)C)(C)C 1 3.219 2 4 -15.0137070306392 4903869 CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCCCN3C=CN=C3)C 1 2.61 3 4 0 -11.5845698378525 4903843 COC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3SC2=NC(=O)C4CCCCC4 1 3.804 2 4 -10.8919558576381 4903837 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=NNC(=C3)C 1 1.851 7 1 0 -14.8239368603191 4903835 C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)NCCCN4CCCC4=O)OC2=O 1 2.092 2 5 0 -30.5644526174621 4903804 CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)F 1 1.57 7 1 0 -13.92376324052 4903803 COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CN=CC=C2)CC3=CC4=CC=CC=C4NC3=O 1 2.329 3 4 0 -13.0132872150529 4903770 CCC(=O)NC1=C(C(=O)C2=CC=CC=C2N1CC)C3=CC=CC=C3Cl 1 4.527 2 2 9.03197111523421e-002 4903769 CC(C(=O)N=C1N(C2CS(=O)(=O)CC2S1)C3=CC=C(C=C3)F)OC4=CC=CC=C4 1 3.884 2 4 -11.5290558209165 4903707 COC1=CC=C(C=C1)CN2C3CS(=O)(=O)CC3SC2=NC(=O)C4CCCCC4 1 3.811 2 4 -9.75969310008475 4903678 C1=CC=C(C=C1)C2=CC(=O)OC3=CC(=C(C=C23)Cl)OCC(=O)NCC4=CC=CC=N4 1 3.734 2 4 -11.9122912454341 4903668 CCN1C2=NC3=CC=CC=C3C=C2C(=N1)NS(=O)(=O)C4=CC=CC=C4 1 3.44 4 2 -5.03720128118776 4903667 C1CCC2=C(C1)C3=CC(=C(C=C3OC2=O)OCC(=O)NCC4=CN=CC=C4)Cl 1 3.474 2 4 -20.1698965252154 4903645 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=NNC(=C3)C 1 1.697 7 2 0 -15.8148296268374 4903631 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(C)C(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 4.054 2 4 -10.648248792481 4903562 CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCCCN3C=CN=C3 1 1.649 3 4 0 -12.79157822074 4903526 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCCCN3CCCC3=O)C 1 1.552 2 5 0 -26.4281091596069 4903466 COC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3SC2=NC(=O)C4CCCO4 1 2.011 2 5 0 -19.1766416806338 4903451 COC1=CC2=C(C=C1)C=C(N2)C(=O)NCCC3=CC=CC=C3 1 3.511 2 2 -1.08164087699734 4903419 COC1=C(C=C(C=C1)Cl)N2C3CS(=O)(=O)CC3SC2=NC(=O)C4CCCO4 1 2.675 2 5 0 -16.8122054503236 4903404 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NCCCN3CCOCC3 1 2.22 2 5 0 -16.356688113942 4903399 CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.809 2 3 -4.54000409644125 4903392 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2.71 2 4 -8.12781364115466 4885401 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CC2=CC=CS2 1 1.703 2 4 0 -16.8577106342274 4885397 CN(CCOC1=CC=CC=C1)C2=NC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.427 3 3 -14.0691824309868 4885392 CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.752 2 2 -7.13501424363492 4885388 CN(C)C(CNC1=NS(=O)(=O)C2=CC=CC=C21)C3=CC=CO3 1 1.659 3 3 0 -6.51539199944771 4885372 COC1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.1 3 2 -13.9897952418496 4885371 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 2.466 2 5 0 -22.278756638487 4885365 C1=CC(=CC=C1CNC(=O)C(CCC(=O)N)NS(=O)(=O)C2=CC=C(C=C2)Cl)Cl 1 2.271 3 4 0 -18.0761300848022 4885363 CC(=O)C1=C(C=CC(=C1)F)OCC(=O)N2CCCC3=CC=CC=C32 1 3.132 1 3 -11.3808126207589 4885361 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.477 2 7 0 -15.8325915622326 4885360 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C=CC=C3F)F 1 3.962 3 1 -5.13822844007016 4885357 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 2.445 1 6 0 -14.423696949241 4885354 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CSC4=NN=C(O4)C5=CC=CC=C5F 1 4.128 4 4 0 -18.3489356367902 4885353 CCCN1C(=O)NN=C1SCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 3.686 4 3 0 -17.6685457609501 4885343 COC1=CC(=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)Br)F)OC 1 3.196 2 3 -6.3412427925742 4885334 CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4 1 3.84 3 2 -8.52864193919044 4885331 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl 1 3.071 2 4 -14.5637131325618 4885329 CC1=C(C(=NO1)C)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-] 1 2.045 2 5 0 -11.4479644436401 4885316 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CC2=COC3=C2C=CC(=C3)OC 1 3.51 2 7 0 -9.25935840476844 4885310 COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl 1 2.79 1 6 0 -14.0556736719582 4885308 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2OC)OC)OC 1 2.305 1 5 -11.2649959606322 4885289 CC(=O)C1=CC(=CC=C1)NC(=O)CC2=COC3=CC4=C(CCC4)C=C32 1 3.75 1 3 -10.2498606216378 4885280 CC1=C(C(=NN1C)C)NC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.929 4 1 -1.02269786833301 4885279 CC1=C(C(=NN1C)C)NC(=O)NC2=CC=CC=C2OC 1 1.584 4 2 0 -7.30174013403076 4885256 CCCN1C(=C(C(=O)NC1=O)C(C2=CC=C(C=C2)OC)N3CCN(CC3)C4=CC=CC=C4)N 1 3.106 5 3 0 -6.07488960088284 4885255 CC(C1=CC=C(C=C1)Cl)OC(=O)NC2=CC=CC=C2OC 1 4.202 1 3 -3.04280572149792 4885252 C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.921 4 3 0 -3.57495899536601 4885250 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=CC4=C(C=C3)NC(=O)N4 1 2.089 3 3 -9.3248919851776 4885249 C1=CC(=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)N3)Cl 1 1.845 3 3 0 -8.32605055374238 4885240 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCC2=CC=CO2 1 1.168 2 4 0 -13.5814483712912 4885189 CC1=CC(=C(C=C1)C)OCCN2C(=O)C3(CCC4=CC=CC=C4C3)NC2=O 1 4.184 2 3 -0.717017175677266 4885228 CC(=C(C#N)C#N)NC1=CC(=CC=C1)NC(=O)C 1 0.991 4 1 0 -7.07933409227653 4885216 CC1(CCS(=O)(=O)C1)NC(=O)COC2=CC=CC=C2C3=CC=CC=C3 1 2.104 1 4 -8.65932500919117 4885212 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])NC(=O)C4=CC=CS4 1 4.061 4 4 0 -17.0856305966986 4885211 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NS(=O)(=O)C2=C(C(=C(C=C2)F)F)F 1 2.034 2 5 0 -8.09269984012507 4885208 CCCC(C)NC(=O)C1=C(C2=C(S1)N=C3CCCN3C2=O)C 1 2.768 3 2 -22.3099243709063 4885174 C1=CC(=CC(=C1)Cl)NC(=O)COC2=CC=C(C=C2)N3C=CN=C3 1 2.784 3 2 -2.05020107485692 4885154 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.168 1 5 -16.2026265058462 4885153 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N(C)CCC2=CC(=C(C=C2)OC)OC 1 2.447 3 4 0 -11.7164167747662 4885146 C1CC(C2=CC=CC=C2C1)NC(=O)CCN3C=CC4=CC=CC=C43 1 4.236 2 1 -13.6902572892869 4885144 C1C(OC2=CC=CC=C2O1)CNC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5 1 3.196 4 2 4.98329000920113 4885142 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl 1 4.212 3 1 2.37949637235314 4885141 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N(C)CC2=C(C(=CC=C2)OC)OC 1 2.126 3 4 0 -9.35174079354402 4885140 CC(CCC1=CC=CC=C1)NC(=O)CN2CCC3=CC=CC=C3C2 1 3.776 2 1 -12.8746232983897 4885137 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C2=NC=C(C=C2)C(F)(F)F 1 1.808 4 2 0 -7.09677837238311 4885103 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CC2(Cl)Cl)C 1 2.625 1 3 -4.58869354560711 4885101 CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC=CC=C3)C 1 4.198 3 1 -12.1527127818176 4885093 CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC)C 1 5.044 2 4 -10.2748082677498 4885085 CC1=CC=C(C=C1)NC(=O)NCC2CC2(Cl)Cl 1 2.457 2 1 -3.28072099594425 4885084 COC1=CC=CC=C1NC(=O)NCC2CC2(Cl)Cl 1 1.954 2 2 0 -7.93967456842858 4885079 CC1=CC=C(C=C1)NC(=O)NCC(=O)NC 1 0.492 3 2 0 -9.77635831478765 4885078 CNC(=O)CNC(=O)NC1=CC(=C(C=C1)Cl)Cl 1 1.334 3 2 0 -8.15626962157423 4885071 C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 1.907 2 6 0 -21.4813094833693 4885041 CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2CCCCC2 1 2.669 1 3 -11.026286418158 4885033 CC1=CC=CC=C1N2C(=NN=N2)SC3=NN=NN3C4=CC=CC=C4 1 3.291 8 0 0 -12.7201410912526 4885032 CN(CC1=C(C(=CC=C1)OC)OC)CC(=O)NCC2=CC=C(C=C2)F 1 2.719 2 3 -7.58638387421449 4884993 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 2.08 4 2 4.68289038304959 4884981 COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCCC4 1 3.224 4 4 0 -17.8144515961136 4884978 COC1=CC=C(C=C1)C2=NN=C(N2CC3CCCO3)SCC4=NN=C(O4)C5=CC=CS5 1 3.78 5 3 0 -19.8733736027726 4884964 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(S2)Br)C 1 3.436 2 3 -11.719358762554 4884963 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C 1 2.87 4 5 0 -13.2560304246969 4884957 CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3C(=O)NC4=CC=CC=C4S3 1 2.002 2 6 0 -18.6504104474672 4884956 CC1=CC(=C(N1CC=C)C)C2=NN=C(SC2)NC(C)(C)C 1 3.286 4 0 -12.2724528119891 4884952 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCC4=CC=CC=C4C3 1 1.493 4 2 0 -12.5227269860744 4884951 C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 2.091 4 1 1.04727008264592 4884950 CN(C1CCCCC1)C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.423 3 3 0 -18.0219684578518 4884925 COC1=C(C=C(C=C1)CNC(=O)CC23CC4CC(C2)CC(C4)C3)OC 1 3.514 1 3 -13.4699193725481 4884909 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SC(C)C(=O)N)C3=CC=C(C=C3)OC 1 3.347 4 4 0 -15.1772139887809 4884906 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCCN4C=CN=C4 1 2.687 5 0 9.73435750777878 4884902 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC2=C(C=C(C=C2)C#N)OC 1 2.127 3 5 0 -22.5849387510109 4884896 CN(C)C(CNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.307 2 1 -3.49708000845154 4884886 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC3=CC=CC=C3C2 1 2.396 3 3 -14.6686213190899 4884871 CC1=CC(=NC2=NN=C(N12)SC(C)C(=O)NC3(CCCCC3)C#N)C 1 3.071 6 1 0 -15.882540278335 4884859 CC1=NC(=C(C=C1)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)[N+](=O)[O-] 1 1.823 4 5 0 -13.98983983918 4884851 CC1=NC(=C(C=C1)OCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 4.798 3 4 0 -5.8686672327847 4884850 COC1=CC(=C(C=C1)Br)C(=O)NCC(C2=CC=C(C=C2)F)N3CCOCC3 1 3.414 2 3 -13.2985648908627 4884840 CN(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)OC 1 2.567 3 4 0 -15.6669466345142 4884835 COC1=CC=C(C=C1)C(CNC(=O)CC2=CC=CC=C2F)N3CCCCC3 1 3.93 2 2 -18.4033737327336 4884831 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCN3C=CN=C3 1 1.884 4 3 0 -14.0644637651428 4884824 CN(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C(=CC=C2)Cl)Cl)C3=CC=CC=C3 1 3.706 3 3 -14.7219800168092 4884820 CN(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.354 3 3 -19.8921695257342 4884815 C1CCC(CC1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3 1 2.256 4 1 -5.02009263311292 4884814 CC(C1=CC=C(C=C1)F)NC(=O)CN2CCOCC2 1 1.234 2 2 0 -9.15196161738809 4884812 CC(C(=O)N1CCCC2=CC=CC=C21)SC3=NN=C(N3C4=CC=CC=C4F)C5=CN=CC=C5 1 4.897 5 1 -12.4924920105919 4884797 CC1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 2.762 3 3 -5.16414675610754 4884785 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)NCC3CCCO3 1 0.356 4 3 0 -19.8751391412493 4884728 C1CCN(C1)C(CNC(=O)COC2=CC=CC=C2F)C3=CC=CO3 1 2.579 2 3 -14.6265642160954 4884775 C1CC(OC1)CNC(=O)C2=CC(=CN=C2)Br 1 0.994 2 2 0 -11.2137632645789 4884765 COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=CC=CC=C3C=C2OC)N4CCCC4 1 4.125 2 3 -13.4841066396772 4884764 CC1=C(OC2=CC=CC=C12)C(=O)N(C)CC3COC4=CC=CC=C4O3 1 3.788 1 4 4.65445820664994 4884753 CC1=C(C=C(C=C1)S(=O)(=O)NC(C)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)OC)C 1 2.68 2 6 0 -18.989098461775 4884062 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NCC(=O)NC2=C(C=C(C=C2)F)F 1 1.786 3 4 0 -13.4512996709016 4884058 CC1=C(C=CC(=C1)NC(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N(C)C)OC)Br 1 2.61 3 4 0 -13.8256527435848 4884052 CC1=C(C=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N(C)C)OC)F 1 2.067 3 4 0 -12.2303633622393 4884051 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NCC(=O)NC2=CC=CC3=CC=CC=C32 1 2.284 3 4 0 -14.5978771599441 4884050 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NCC(=O)NC2=C(C=C(C=C2)Br)F 1 2.329 3 4 0 -12.119193713428 4884049 CCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NCC(=O)NC2=CC=CC=C2Br 1 2.298 4 3 0 -16.7822664637083 4884040 CC1=CSC(=N1)NC(=O)C2=C(C3=CC=CC=C3O2)COC 1 2.293 2 3 -1.09659173805589 4884038 CCC1=NC2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)CC)N=C1CC 1 3.379 5 1 -15.1348155066065 4884036 CC1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.172 2 3 -14.0139626712879 4884024 C1CC2=C(C1)SC3=NC=NC(=C23)N4C5=CC=CC=C5N=C4NCCO 1 3.214 5 1 -7.23969495757252 4884020 C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-] 1 2.798 3 3 -6.25758406790422 4884019 CCOC(=O)C1=C(C2=CC(=CN=C2S1)C(=O)C3=C(C=CC(=C3)F)O)C 1 4.089 1 4 -2.18629921273698 4884017 CCN1C(N(C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)CC4=CC=C(C=C4)OC)C 1 2.853 3 4 0 -16.7069870962235 4884014 CC1=NN(C2=NC=C(C=C12)C(=O)C3=C(C=CC(=C3)F)O)CCO 1 1.839 3 3 0 0.472314473252627 4884012 COC1=CC=C(C=C1)CN2C3CCCN3C4=C2C=C(C=C4)S(=O)(=O)N5CCOCC5 1 2.746 3 4 0 -15.8440896017789 4884010 CC1=NN(C2=NC=C(C=C12)C(=O)C3=C(C=CC(=C3)F)O)C 1 2.378 3 2 1.42346030315312 4884007 CC1=NN(C2=NC=C(C=C12)C(=O)C3=C(C=CC(=C3)OC)O)C 1 2.156 3 3 -0.945788276853192 4884003 C1=CC=C(C=C1)CCC2=NC3=CC=CC=C3NC2=O 1 2.989 2 1 -10.9733934656124 4884002 CC1=CC(=C(C=C1)O)C(=O)C2=CN=C3C(=C2)C(=NN3C)C 1 2.659 3 2 1.03533238068209 4884000 CC1=CC(=C(C=C1)O)C(=O)C2=CN=C3C(=C2)C(=O)N(C(=O)N3C)C 1 2.013 3 4 0 -8.42778181876293 4883986 C1CC2N(C1)C3=C(N2CC4=CC=C(C=C4)Cl)C=C(C=C3)S(=O)(=O)N5CCOCC5 1 3.427 3 3 -13.609124702048 4883962 CN(CC(=O)NC1=CC(=CC=C1)OC)CC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.518 3 3 -1.04185612887198 4883961 CC(C1=CC=CC=C1)NC(=O)CN(C)CC(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.625 3 3 -11.014764098073 4883960 CC(C(=O)NCC1CCCCC1)N(C)CC2=CC(=CC=C2)Cl 1 4.3 2 1 -3.02574367803718 4883958 CCN(CC(=O)NC1=CC(=CC=C1)F)CC(=O)NC2=CC=CC=C2OC 1 2.13 3 3 -7.49733351623124 4883957 CN(CC(=O)NC1=CC=CC=C1Cl)CC(=O)NC2=C(C=CC(=C2)OC)OC 1 2.224 3 4 0 -6.83803219343165 4883952 C1CCN(C1)CC(=O)NC2=C(C=CC(=C2)F)F 1 1.828 2 1 0 -3.73460479483808 4883950 CC1=CC(=C(C(=C1)Br)NC(=O)CN(C)CCOC2=CC=CC=C2)Br 1 4.571 2 2 -3.21112640998056 4883949 CCC1=CC=C(C=C1)CN(C)CC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 3.376 3 3 -6.95149018104118 4883947 CN(CC1=CC=C(C=C1)OC)CC(=O)NC2=CC=CC=C2C(F)(F)F 1 3.465 2 2 -4.8414028877797 4883946 CC(C(=O)N1CCCCC1)N(C)CC(=O)NC2=CC=C(C=C2)Cl 1 2.287 3 2 -8.67523015339031 4883944 COC1=CC(=CC(=C1)NC(=O)CN2CCCCCC2)OC 1 2.297 2 3 -7.95778197291516 4883943 COC1=CC=CC=C1NC(=O)CN2CCCCCC2 1 2.313 2 2 -8.1275433978643 4883942 COC1=C(C=C(C=C1)NC(=O)CN2CCCCCC2)OC 1 2.297 2 3 -9.92594739934195 4883900 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C=CC(=N3)C(F)(F)F 1 3.007 4 3 0 -21.9083144730888 4883897 CC(C1=CC=CC=C1OC)NCC(=O)NCC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.041 3 3 -11.3676522689725 4883889 CC1CC2=CC=CC=C2N1CC(=O)NC3=C(C(=C(S3)C(=O)N)C)C(=O)OCCOC 1 2.371 3 5 0 -19.8880038754066 4883878 COC1=C(C(=CC(=C1)C(=O)NCC2CCCO2)Br)OCC3=CC=CC=C3 1 3.695 1 4 -13.3750344313819 4883868 CSCCC(C(=O)NCC1CCCCC1)NC(=O)C2=CC=CO2 1 2.493 2 3 -19.2736853558185 4883861 CC1CCCCC1NC(=O)CCCOC2=CC=C(C=C2)C(=O)C 1 3.36 1 3 -16.6781699316568 4883860 CC1=C(C=C(C=C1)F)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 2.906 2 2 -8.1837178212587 4883858 COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OCC3CCCO3)OC 1 2.924 1 5 -14.9708711490554 4883853 CC1=CC=C(O1)C(=O)NC(C)C2=CC=CC=C2OC 1 2.523 1 3 -9.28679495895654 4883851 C1C=CCC2C1C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3SCC#N 1 1.343 3 3 0 -16.0969977510802 4883849 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC2=CC=CC(=C2)C#N 1 1.445 3 4 0 -14.8453915435735 4883847 C1=CC=C(C=C1)CCCNC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)N 1 3.109 3 2 -12.4292739742221 4883846 C1CC(OC1)CNC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 1.785 2 3 0 -14.1664942953909 4883845 CC1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br 1 3.032 2 2 -21.3040822115157 4883838 CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCN(CC4)C 1 3.254 4 3 0 -17.0932185371477 4883829 COC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)N3CCOCC3)C4=CC=C(C=C4)OC 1 1.231 3 6 0 -10.2917351994835 4883817 C=CCN1C(=NN=C1SCC(=O)NCC2CCCO2)C3=CC=NC=C3 1 1.293 5 2 0 -23.0810890207438 4883815 CN(CC1=CC(=CC=C1)F)C(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.415 2 2 -7.47396296541948 4883786 CC1=CC=CC(=C1)C(=O)NCC(C2=CC=CO2)N(C)C 1 2.563 2 2 -7.08658860932952 4883785 CC1CC1C(=O)NC2=NC(=CS2)C3=CC=CC=N3 1 2.181 3 1 1.67939824644491 4883777 C1=CC=C(C=C1)CC(C(=O)NCCC2=CC=CC=N2)NC(=O)C3=CC=CS3 1 2.987 3 2 -17.8913762748161 4883775 CC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.473 3 2 -19.0133631494696 4883774 CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCC2=CC=CC=N2 1 2.405 3 3 -22.7706866594331 4883760 CCCC(C1=CC=CC=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 3.057 2 3 -16.1006040184885 4883754 CN(C)C1(CCCCC1)CNC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC 1 1.918 3 4 0 -18.6375861667896 4883751 CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3CCCO3 1 2.628 4 2 -18.9909758203699 4883741 CC1=CC(=C(C=C1)C)N2C=C(N=C2SCC(=O)NC3CCS(=O)(=O)C3)C4=CC=C(C=C4)Cl 1 4.734 3 3 -13.890820621348 4883739 CN(C)C(CNC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=C(C=C3)OC 1 4.325 2 2 -3.41635923926204 4883737 CCN1CCN(CC1)C(=O)C(C)SC2=NN=C3N2C(=CC(=N3)C)C 1 1.924 6 1 0 -14.2206600973032 4883728 COC1=CC=CC=C1CC(=O)NCC(C2=CC=CO2)N3CCCCC3 1 3.013 2 3 -17.7452918460727 4883725 CC(COC)NC(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)C 1 2.126 2 3 -14.3426622677609 4883721 C1CCN(C1)C(CNC(=O)C2=CC=CC=C2F)C3=CC=CO3 1 2.744 2 2 -15.0288641879893 4883719 CC(CCC1=CC=CC=C1)NC(=O)CN(C)CC2=CC=C(C=C2)F 1 3.907 2 1 -6.23365926608537 4883712 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC2=NN=C(CS2)C3=CC=CC=C3OC 1 2.824 4 3 0 -10.5429116807087 4883709 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CC=C4F 1 2.47 3 4 0 -9.99450378631349 4883700 COCCNC(=O)CSC1=CC=CC=C1C(=O)NCC2CCCCC2 1 2.697 2 3 -22.0608729891273 4883683 CC(C)C(C(=O)NCC1=CC(=C(C=C1)OC)OC)NC(=O)C 1 1.311 2 4 0 -21.5368882931611 4883672 CC(C(=O)NC1CCCC2=CC=CC=C12)N(C)CC3=CC=C(C=C3)OC 1 4.03 2 2 -4.53841443396957 4883663 CC(C(=O)NCC1=CC=C(C=C1)OC)N(C)CC2=CC(=CC=C2)F 1 3.22 2 2 -3.90081977732516 4883662 CC1CN(CCN1C2=CC=CC(=C2)C)CC(=O)N(C)CC3=CC=CC=C3 1 3.662 3 1 -9.15527749286846 4883659 CC(CCC1=CC=CC=C1)NC(=O)CN(C)CC2=CC=CC=C2F 1 3.907 2 1 -6.2042564529033 4883657 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(C)C(=O)N3CCC(CC3)C 1 3.072 3 4 0 -15.1612136574093 4883651 CC1=CC(=C(C=C1)OC)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 2.684 2 3 -9.64943760660675 4883650 CN(C)C1=C(C=C(C=C1)S(=O)(=O)N(C)C)[N+](=O)[O-] 1 1.003 3 4 0 -9.2062029335473 4883642 CC1=CC=C(C=C1)CC2=CN=C(S2)N3C(=O)C(SC3=N)C4=CC=CC=C4 1 4.929 3 1 -3.76215897338189 4883636 CN(C)C(CNC(=O)C1=C(C=CC(=C1)Br)Cl)C2=CC=CO2 1 3.49 2 2 -5.31311223299972 4883633 CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC2=C(S1)CCCCC2 1 3.439 2 4 -11.4351353768228 4883631 C1=CC=C2C(=C1)N=C(N2CCC#N)SCC(=O)NCC3=CC=CO3 1 2.438 4 2 -18.516497868597 4883629 CC1=C(C=C(C=C1)C2=CN(C(=N2)SCC(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4)C 1 4.07 3 3 -12.9075255310379 4883627 CCOC1=C(C=C(C=C1)C(=O)C)CN2C(=O)C(NC2=O)(C)C3CC3 1 1.968 2 4 0 -7.88639788021385 4883620 CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)N3CCCC3 1 3.468 2 2 -11.0373112037514 4883616 COC1=C(C=C(C=C1)CN2C(=O)C3(CCOC4=CC=CC=C43)NC2=O)F 1 2.364 2 4 -1.36360995303343 4883614 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2CC=C)C3COC4=CC=CC=C4O3 1 2.573 5 4 0 -23.6527930144048 4883613 C1CN(CCC1C(=O)N)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.025 3 3 2.23461309014277 4883606 CC(C)C(C(=O)NCCC1=CC=CC=N1)NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.721 3 2 -19.2535462271747 4883603 CC(C)C(C(=O)NCCC1=CC=CC=N1)NC(=O)C2=CC=CC=C2F 1 2.526 3 2 -22.6954803865921 4883601 CC(C)C(C(=O)NCCC1=CC=CC=N1)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.65 3 2 -16.9887584184573 4883596 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2C)C3COC4=CC=CC=C4O3 1 1.956 5 4 0 -19.5353785952477 4883585 CC1CC1C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.013 2 4 -9.82900362474795 4883579 CC(C1=CC=C(C=C1)F)NC(=O)COC2=CC=CC=C2NC(=O)C 1 2.16 2 3 -13.4388630849739 4883577 CC(C)C(C(=O)NCC1CCCO1)NC(=O)C2=CC=C(C=C2)F 1 1.989 2 3 0 -23.253950864137 4883576 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CS3)N(C)C 1 3.678 3 3 -13.4688628370632 4883568 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)S(=O)(=O)NC4=CC=CC=C4Cl 1 3.616 3 4 0 -7.96481980101797 4883551 C1CN(CCC1NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)CC4=CC=CC=C4 1 2.408 3 4 0 -8.35164094538376 4883548 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC4=CC=CC=C4C=C3 1 2.825 3 3 -5.04299961693132 4883540 CN(C)C(CNC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)F)C3=CC=CC=C3 1 4.095 3 1 -6.97291217999621 4883535 CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)NC(C)COC)Cl 1 3.536 2 2 -11.2424482642063 4883531 CCC(CC)NC(=O)C1=CC2=C(C=C1)OCCO2 1 2.597 1 3 -12.299887456451 4883530 CC1=CC=C(S1)C(=O)NC(C)C2=CC=C(C=C2)S(=O)(=O)N 1 1.803 2 3 0 -12.2135163704715 4883529 CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NC2=NC(=CS2)C3=CC=CC=N3 1 3.709 4 2 -9.94567991191731 4883528 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=C(N3C)C 1 1.902 3 2 0 -14.078149473532 4883526 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3CCCO3 1 2.265 3 6 0 -15.6512012490184 4883517 CC(C)C(C(=O)NCC1CCCO1)NC(=O)C2=CC=C(C=C2)OC 1 1.767 2 4 0 -24.3787940987464 4883516 COC1=C(C=C(C=C1)C(=O)NCC2CCCO2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 2.604 2 5 0 -27.4139990621505 4883515 C1CC(OC1)CNC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)Br 1 2.765 2 4 -16.4096133861795 4883514 CCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 1.294 4 2 0 -16.7647392409864 4883504 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OCC4CCCO4 1 2.535 2 5 0 -23.7503433412326 4883502 CC1=C(SC2=NC=NC(=C12)NCC(C3=CC=CC=C3OC)N(C)C)C 1 3.826 4 1 -2.90632405670614 4883501 C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC3=CC=C(C=C3)C#N 1 2.324 2 4 -17.5106302981796 4883498 CC(C(=O)C1=CC(=C(C=C1)F)F)OC2=CC=C(C=C2)C#N 1 3.843 1 2 -4.14394247249804 4883496 COC1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 2.26 3 4 0 -5.57711296525168 4883494 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)CC2=CC(=C(C=C2)Cl)Cl 1 2.683 2 3 -8.63519397501966 4883486 CN(C)C1=CC=C(C=C1)C(=O)N(C)CC2COC3=CC=CC=C3O2 1 2.869 2 3 -6.56044996446203 4883464 C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC=CS3 1 2.454 1 3 -8.8350640751567 4883457 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)NCC2=CC=CC=C2Cl 1 2.892 2 2 -7.57504848968243 4883454 CC1CN(CC(O1)C)C(=O)C(C)SC2=NN=NN2C 1 0.416 5 2 0 -20.5402280573882 4883451 CC1=CC=CC=C1CN(C)C(C)C(=O)NCC2=CC=CC=C2 1 3.517 2 1 -6.7425235214891 4883449 CC1(CCS(=O)(=O)C1)NC(=O)CC2=C(C=CC=C2Cl)Cl 1 2.114 1 3 -11.7913941362237 4883448 CN(C)C(CNC(=O)C1=CC=CC=C1SC)C2=CC=C(C=C2)OC 1 3.314 2 2 -10.6917193745573 4883447 CC1=CC=CC=C1SCC(=O)NCC(C2=CC=C(C=C2)OC)N(C)C 1 3.652 2 2 -10.2523437598294 4883445 C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(=O)NCC3=CC=C(C=C3)F 1 3.334 2 3 -12.6208692190653 4883439 CCC1=CC=C(C=C1)CN(C)C(C)C(=O)NCC2=CC=CC=C2 1 3.973 2 1 -6.92236903205657 4883437 CC(C(=O)NCC1CCCCC1)N(C)CC2=CC=C(C=C2)Cl 1 4.3 2 1 -3.72214955616186 4883433 CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2)SC3=NN=CN3C 1 2.396 5 2 0 -12.6281331317977 4883425 CC(C(=O)N1CCCC2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=N4 1 3.195 4 1 -10.2183270097396 4883423 CC(C(=O)NC1CCCC2=CC=CC=C12)N3CCN(CC3)C4=CC=C(C=C4)F 1 4.298 3 1 -5.19179589273877 4883422 CCCC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN2CC 1 3.116 2 2 -8.46363315591431 4883410 COC1=C(C=C(C=C1)NC(=O)C2=CC(=CN=C2)Br)S(=O)(=O)N 1 0.901 3 4 0 -10.5048583212547 4883406 C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NNC(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.336 4 2 -1.08898038069029 4883398 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)N(C)CC(=O)NC2=CC=CC=C2Br 1 1.945 4 3 0 -13.767258659524 4883383 CC(C1=CC=C(C=C1)Cl)OCC(CNCC2COC3=CC=CC=C3O2)O 1 3.231 1 4 0.787379757717949 4883377 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5 1 3.552 4 3 0 -9.86669118234312 4883375 CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=C(C=C3N2C=CC=C3)C 1 3.104 2 3 -12.4949158482302 4883370 COC1=C(C=C(C=C1)C2N=C(NO2)C3=CC=CC=C3)OC 1 2.713 2 3 -2.94616593255095 4883368 CC1=CC=CC=C1C2=NC(ON2)C3=C(C(=CC=C3)OC)OC 1 3.199 2 3 -1.97897501315008 4883364 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=CC=C4OC)O 1 3.209 2 7 0 -14.8502436813966 4883358 C1=CC=C(C=C1)C2=NC(ON2)C3=CC=C(C=C3)OC(F)F 1 3.551 2 2 3.68440294231938 4883339 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NCC2CCCCC2)OCC 1 2.951 2 4 -19.6238601080454 4883335 CSCCC(C(=O)NCC1CCCCC1)NC(=O)C2=CC=CC=C2Br 1 3.846 2 2 -19.3089627259576 4883329 CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)Cl 1 3.125 4 1 -0.229502696841585 4883319 CC(C)C(C(=O)NCCC1=CC=CC=N1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.007 3 4 0 -22.1414358142728 4883314 CC1CCN(CC1)C(=O)CC(C2=CC=CC=C2Cl)NC(=O)N 1 2.123 3 2 -13.4862231763942 4883265 COC1=CC=C(C=C1)CCNC(=O)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.839 3 2 0.203343237904741 4883305 CC(C(=O)NCCCC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32 1 2.524 3 3 -14.4018312560183 4883302 COC1=C(C=C(C=C1)CNC(=O)CC(C2=CC=CC=C2Cl)NC(=O)N)OC 1 2.299 3 4 0 -18.443801649055 4883300 C1=CC=C(C=C1)CC(C(=O)NCCC2=CC=CC=N2)NC(=O)C3=CC=CC=C3 1 3.034 3 2 -18.2281449777781 4883298 C1CC(C2=CC=CC=C2C1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F 1 4.168 2 3 -12.1334829264184 4883297 CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2CCCC3=CC=CC=C23 1 3.421 2 3 -14.299336350477 4883296 COCCNC(=O)CSC1=CC=CC=C1C(=O)NC2CCCC3=CC=CC=C23 1 3.108 2 3 -21.734758533286 4883286 CC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NC3CCCC4=CC=CC=C34 1 5.058 3 1 -5.16501285884068 4883276 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC 1 1.902 2 5 0 -21.2333508545861 4883251 CC1=CC(=CC=C1)OCCC(=O)NC(C)C2=CC=CC=C2OC 1 3.552 1 3 -14.3070433227839 4883248 COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=CC=CC=C3O2)N4CCCCC4 1 4.284 2 3 -9.39862058726437 4883241 CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 3.246 1 3 -8.38454596505041 4883238 CC1CCCCC1NC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2 1 1.158 4 2 0 -5.25486203312138 4883236 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)NCC3CCCO3 1 1.846 2 4 0 -19.7141847844821 4883222 COCCN1C(=NN=C1SC2CCCCC2=O)C3=CC=NC=C3 1 2.012 4 2 -9.55021811075 4883221 CC(C(=O)NCC1CCCCC1)N(C)CC2=CC=C(C=C2)Br 1 4.384 2 1 -5.1788093012633 4883220 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC=CC=N3 1 3.015 3 1 -9.11145407306905 4883217 CC1CC1C(=O)NC2=NC(=C(S2)C3=CC=CS3)C4=CC=CS4 1 4.62 2 1 -5.98004913994729 4883203 CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CC=CO2)N3CCCCC3 1 2.52 2 4 -20.1138609903169 4883199 CC1=C(C=C(C=C1)CC(=O)NCC(C2=CC=CO2)N(C)C)C 1 3.084 2 2 -7.97961516894604 4883195 CC1CC(CN(C1)C(=O)C(C)OC2=CC=CC=C2NC(=O)C)C 1 2.239 2 3 -17.8831833973029 4883190 CC(CC(=O)NCC1=CC(=C(C=C1)OC)C(=O)OC)C2=CC=CC=C2 1 3.203 1 4 -13.9773339855922 4883187 CC1=CC=CC=C1C(=O)NCC(C2=CC=C(C=C2)OC)N3CCCC3 1 3.719 2 2 -16.7030368151469 4883159 CCCN(CC1=CC2=C(C=C(C=C2)C)NC1=O)S(=O)(=O)C3=CC=CC=C3 1 3.271 2 3 -12.0229946931197 4883153 COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NCC4CCCO4 1 3.613 3 3 -17.1640314388802 4883148 CC(C1=CC=CC=C1OC)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.677 4 1 0.974009960690187 4883140 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2 1 1.735 3 4 0 -20.6772337321413 4883130 CC(CCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)N 1 3.002 3 2 -11.3065856153095 4883123 CC1=C(SC(=N1)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4)C(=O)N(C)C 1 3.482 4 2 -9.44342853623632 4883117 CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)NC3=NC=CS3 1 2.058 4 2 -12.3071468476293 4883099 CC1=CC(=NC2=NC(=NN12)SC(C)C(=O)NC3=NC=C(C=C3)Cl)C 1 3.042 6 1 0 -9.57444814199921 4883097 CC(CNC1=NC2=CC=CC=C2N1CC(=O)NCCC3=CC=C(C=C3)Cl)O 1 2.896 4 2 -10.9661011058211 4883087 C1=CC=C2C(=C1)N=C(N2CC(=O)NCCC3=CC=C(C=C3)F)CO 1 2.31 3 2 -8.26965062712999 4883078 CC1=NN=C(N1C2=CC=CC=C2)SC(C)C(=O)NC3CCCC4=CC=CC=C34 1 4.464 4 1 -10.6163780736001 4883076 CSC1=NC2=CC=CC=C2N1CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4 1 4.063 4 2 -5.00427428007388 4883072 CN(C)C(CNC(=O)C1=CC(=C(C=C1OC)OC)OC)C2=CC=CS2 1 2.586 2 4 -10.0279535780893 4883071 CN(C)C(CNC(=O)C1=CC2=CC=CC=C2C=C1OC)C3=CC=CS3 1 3.527 2 2 -5.20063321681065 4883054 CC(C(=O)N1CCC2=CC=CC=C2C1)NC(=O)C3=CC=CO3 1 1.841 2 3 0 -13.5555166440134 4883053 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC4=CC=CC=C4C3 1 2.506 2 3 -15.4276768789067 4883052 C1CC(OC1)COC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3 1 3.244 1 3 -13.9350194023144 4883049 C1CN(CC2=CC=CC=C21)C(=O)CC(C3=CC=C(C=C3)Cl)NC(=O)N 1 2.612 3 2 -11.0547243161936 4883034 CCN(C(=O)C1=CC=C(C=C1)S(=O)(=O)C)C23CC4CC(C2)CC(C4)C3 1 3.261 1 3 -10.3276003159351 4883031 CC1(C(=O)N(C(=O)N1)CN2CCOCC2)C3=CC=C(C=C3)Cl 1 1.549 3 3 0 -1.7499559056597 4883020 C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=CC4=CC=CC=C4C=C3 1 3.492 3 1 5.57102125062142 4883004 CCCCN1C(C(CC1=O)C(=O)O)C2=CC=C(C=C2)OC 1 2.079 1 4 -5.21298967497797 4883001 CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)NC2=C(C=CC(=C2)NC(=O)C)OC 1 2.479 3 3 -11.1803359367003 4882997 CC(C(=O)NCC1=CC=CC=C1)NC2=CC(=CC=C2)SC 1 3.308 2 1 -8.10886384070788 4882996 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)N3CCNC(=O)C3 1 2.023 3 3 -20.1092861135187 4882995 COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)N3CCNC(=O)C3 1 1.537 3 3 0 -18.6555003984841 4882993 CC(C(=O)NC1=CC=C(C=C1)C#N)N(C)CC(=O)NC2=CC=CC=C2Br 1 2.704 4 2 -13.2030800724414 4882987 CC1CC2=CC=CC=C2N1C(=O)CSC3=NN4C(=CC(=NC4=N3)C)C 1 3.163 5 1 -15.9389078425435 4882986 CC1CCC(CC1)NC(=O)CC(C2=CC=CC=C2Cl)NC(=O)N 1 2.858 3 2 -14.5523021918893 4882964 CCOC1=C(C=CC=N1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3 1 1.546 4 4 0 -16.5888218575854 4882951 C1=CC2=NC(=CN2C=C1)CSC3=NN=NN3C4=CC=C(C=C4)Cl 1 3.003 6 0 -12.9837875643272 4882942 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 4.434 3 3 -22.8352732518612 4882909 CN(C)C(CNC(=O)C1=CC2=CC=CC=C2C=C1)C3=CC=CO3 1 2.985 2 2 -4.56140175551567 4882895 C1CCCC(CC1)NC(=O)CN2C3=CC=CC=C3N=C2CO 1 2.514 3 2 -6.58499627139249 4882894 CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC(C3=CC=CC=C3OC)N(C)C 1 3.241 3 2 -9.1711701128769 4882890 CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C3=NN=C(SC3)NCCCOC 1 3.917 4 1 -11.286838996531 4882885 CC(COC)NC1=NN=C(CS1)C2=CC=C(C=C2)NC(=O)C 1 1.514 4 2 0 -10.6605119644977 4882879 C1CN(CCC1NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC5=CC=CC=C5 1 3.427 5 0 6.05167374990022 4882873 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43 1 1.377 4 4 0 -27.9932801341861 4882872 COC1=CC=C(C=C1)C(CNC(=O)COC2=C(C=C(C=C2)Br)F)N3CCCC3 1 4.022 2 3 -13.34582717417 4882849 CC(C)CC(C(=O)OCC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)NC(=O)N 1 3.019 3 4 0 -17.7185242501526 4882843 CC1=CC(=C(N1C)C)C2=NN=C(SC2)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.119 5 3 0 -19.8830128719166 4882839 C1=CC=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3N=C2CO 1 2.104 3 2 -9.96475555438724 4882836 CCNC(=O)C(CCSC)NS(=O)(=O)C1=CC=C(C=C1)C 1 1.447 2 3 0 -21.2488197113268 4882827 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C 1 3.104 4 4 0 -30.8593953176924 4882824 CC1(C(=O)N(C(=O)N1)CC(=O)N2CC(=O)NC3=CC=CC=C32)CCC4=CC=CC=C4 1 1.502 4 4 0 -11.3511376309541 4882823 CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)NCC(C)(C)N3CCOCC3 1 3.52 3 2 -13.4130451940765 4882814 C1C(CN(C1=O)CC2=CC=CO2)C(=O)NC3=NC4=C(C=C(C=C4S3)F)F 1 2.111 3 3 -6.96190192791554 4882811 CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC3CCS(=O)(=O)C3 1 0.914 3 5 0 -22.2754764637622 4882807 CC1=CC=CC2=NC(=CN12)CSC3=NN=C(S3)N 1 1.462 5 0 0 -4.82389104168213 4882805 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32)C 1 2.1 4 4 0 -24.0630292567327 4882803 CC(C(=O)NC1=CC=CC=C1)N(C)CCOC2=CC=CC=C2 1 3.072 2 2 -6.14812387165677 4882800 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(C)C3=CC=CC=C3 1 2.411 3 3 -23.0195192234186 4882792 C1CCC2(CC1)C(C(=NC(=C2C#N)N)SCC3=CC=CC4=CC=CC=C43)C(=O)N 1 3.71 4 1 -9.01119567493309 4882790 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2CC2(Cl)Cl 1 1.827 1 4 0 -8.045571840591 4882774 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=C(N3C5=CC=CC=C5)C=CC(=C4)[N+](=O)[O-] 1 4.517 4 5 0 -15.7021165014203 4882769 COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(=O)NC3CCCC4=CC=CC=C34)OC 1 4.224 2 5 0 -18.0153508389909 4882766 CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NC3=C(C=CC(=C3)OC)OC 1 5.061 2 3 -8.10055371221032 4882763 CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=NN3C4=CC=C(C=C4)O 1 2.557 6 2 0 -12.6401044554076 4882753 CCN(CC(=O)NC1=CC=CC=C1C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3OC 1 3.443 3 3 -3.5244932768371 4882752 CC(C1=CC=CC=C1)NC(=O)CN(C)CC2=C(C=C(C=C2)OC)OC 1 2.891 2 3 -7.51939059438208 4882749 CC(C(=O)N1CCC2=CC=CC=C21)NC3=CC=CC=C3N4CCCCC4 1 4.119 3 1 -12.1979242170431 4882745 C1CCC(CC1)(CNC(=O)CC2=CC=CC=C2F)N3CCOCC3 1 2.819 2 2 -14.6057627281073 4882743 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CC3=CC=CS3 1 3.301 2 3 -19.9577122271419 4882740 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)C)NC(=O)C2CCCC2 1 2.597 3 3 -12.8978094975712 4882739 CN(CC1=CC=CS1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.601 2 3 -19.9248578700966 4882729 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)CC(=O)NC3=CC4=C(C=C3)OCO4 1 1.495 3 6 0 -10.0295629413052 4882721 CC1=C(SC2=NC=NC(=C12)N(C)CC3=CC=CO3)C 1 3.21 3 1 -3.77600099989076 4882717 CC1=CC(=C(C=C1COC2=NC=NC3=CC=CC=C32)OC)OC 1 3.947 2 3 2.53007262397737 4882705 CC(C1=NC(=O)C2=CC=CC=C2N1)N(C)CCOC3=CC=C(C=C3)Cl 1 3.616 3 2 -1.84031741467818 4882702 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)NCC4=CC=CS4 1 4.16 3 0 0.515353040756775 4882693 CCOC1=CC=CC=C1C(=O)NCC(=O)N(C)CC2=CN=CC=C2 1 1.069 3 3 0 -16.5790814076942 4882684 CCNC(=O)COC(=O)C1CCC(=O)N(C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC 1 2.401 2 6 0 -13.2524199548488 4882680 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCC3=CC=CC=C3C2)C4=CC=C(C=C4)Cl 1 2.664 3 3 -9.52062152500533 4882675 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC2=NN=CS2)N 1 0.92 6 3 0 -20.1619253523921 4882649 CC1=NC(=C2C(=CSC2=N1)C3=CC(=C(C=C3)OC)OC)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C 1 4.624 4 3 0 -4.98229502621204 4882643 CC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 2.846 2 5 0 -19.33227945944 4882633 COC1=C(C(=CC(=C1)C(=O)OC2CCOC2=O)Cl)OC 1 2.04 0 6 -7.87296962577793 4882630 CC(=O)NC1=CC=C(C=C1)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3 1 2.857 2 3 -6.43415267303973 4882627 CC1=CC(=CC=C1)S(=O)(=O)N(CC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)OC 1 3.415 2 6 0 -18.5166663819882 4882625 C1C(=NN=C(S1)NCC2=CC=CC=C2)C3=CC(=C(C=C3)F)F 1 4.142 3 0 -0.314978900966238 4882623 CCCN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.235 1 4 -15.3272298515337 4882619 CCCN(CC1=C(C=CC2=CC=CC=C21)O)CC(=O)NC3=CC=CC=C3OC 1 4.062 2 3 -2.83874195628124 4882613 CSCCC1C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3 1 2.012 3 3 -8.45815185601024 4882612 CC1=CC(=C(N1C)C)C(=O)CN2C3=CC=CC=C3N=C2CO 1 1.986 3 2 0 -2.89252006589855 4882611 C1CN(CCC1CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 3.916 2 4 -5.90776589594217 4882601 CN(C)C(CNC(=O)C1=C(C=CC(=C1)SC)Cl)C2=CC=C(C=C2)OC 1 3.978 2 2 -2.39863618070302 4882591 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCSC2=CC=CC=C2 1 3.767 1 3 -12.0074117867886 4882584 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC2=NN=C(CS2)C3=C(C=C(C=C3)OC)OC 1 3.294 4 4 0 -8.37405258914443 4882569 CC1=CC(=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)NC3=C(C=C(C=C3)C)C)C 1 5.402 2 4 -5.97909830156295 4882564 C1C(=NN=C(S1)NCC2=CC=CC=C2)C3=CC4=CC=CC=C4O3 1 4.325 3 1 1.80998464181482 4882563 C1CN(CC2=CC=CC=C21)C(=O)CNC(=O)C3=CC=CC=C3Cl 1 2.626 2 2 -15.537233513865 4882561 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCC=C 1 1.269 3 4 0 -17.4092482740728 4882544 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)OCC(=O)NCC(F)(F)F 1 2.419 1 4 -10.8447117000381 4882542 CN(CC1=C(C=CC2=CC=CC=C21)O)CC(=O)NC3=CC=CC=C3C(F)(F)F 1 4.148 2 2 0.456767048140055 4882540 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CN=C(C=C4)Cl 1 1.978 3 4 0 -13.4095560559151 4882535 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=NC=C4 1 2.815 6 2 0 -18.1681683879507 4882532 CC(=O)NC1=CC(=CC=C1)NC(=O)CCNC(=O)C2=CC=CC=C2 1 1.043 3 3 0 -15.9855144519083 4882528 CC(C(=O)N)OC(=O)C1=CN(N=C1C2=CN=CC=C2)C3=CC=CC=C3 1 2.046 4 3 0 0.850335543163928 4882516 CCCOC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CO2)N(C)C)OC 1 2.917 2 4 -12.3058295205014 4882513 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)OC)N3CCCC3 1 2.35 3 4 0 -19.1148754158984 4882512 CN(C)C(CNC(=O)CC1=CC(=CC=C1)C(F)(F)F)C2=CC=CO2 1 3.054 2 2 -5.32772602217441 4882509 CN(CC1=C(C=CC=C1Cl)F)C(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 3.297 2 2 -14.7253387571745 4882507 CC(C)C(C(=O)NCC(C1=CC=CO1)N(C)C)NC(=O)C2=CC=CO2 1 1.859 3 4 0 -18.2754716146119 4882503 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2CC2 1 1.916 2 2 0 -12.5454573731416 4882501 CC(C)(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N3CCOCC3 1 1.024 3 4 0 -23.959675877073 4882500 CN(C)C(CNC(=O)CCOC1=CC=CC=C1)C2=CC=C(C=C2)OC 1 2.856 2 3 -9.2632233007656 4882492 CN(C)C(CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2=CC=CO2 1 2.028 2 5 0 -11.0598201896065 4882490 CN(C)C(CNC(=O)CCOC1=CC=CC=C1)C2=CC=CO2 1 2.161 2 3 -11.5438655175449 4882489 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CN4C=CC=CC4=N3 1 2.906 4 1 -10.2468053464135 4882488 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC4=C(C=C3)OCCO4 1 3.522 2 3 -10.3679699899345 4882487 CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2=CC3=C(C=C2)OCO3 1 3.995 1 3 -2.95598042840713 4882482 CN(CC1=C(C(=C(C=C1)OC)OC)OC)CC2=CC(=O)N3C=CSC3=N2 1 1.719 3 4 0 -8.5702790381834 4882475 CC(C)CNC(=O)CSC1=NN=C2N1C=CC=C2 1 1.939 4 1 0 -19.9942574816044 4882471 C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=NC4=CC=CC=C43 1 3.51 2 3 -5.18744615514736 4882470 C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)C3=CC=CS3 1 3.678 2 1 -5.74177824399385 4882454 CC1=C(C(=CC=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)C 1 3.643 2 2 -10.7035302413337 4882449 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)NCC3=CC=CC=C3 1 1.818 3 4 0 -27.427141883777 4882447 C1=CN=C(N=C1)NCC2=CC=C(C=C2)Cl 1 2.156 3 0 0.894592094677726 4882445 CNC1=C2C=C(SC2=NC=N1)C3=CC=CC=C3 1 3.269 3 0 0.605287562770059 4882436 C1=CC(=CC(=C1)Br)CSC2=NN=C(O2)C3=CC=NC=C3 1 3.393 3 1 -5.58654989668573 4882430 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3CC3)C 1 2.38 2 3 -16.9713909319124 4882427 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N(CCOC)CC3=CC=CC=C3 1 3.351 3 2 -8.97586876858564 4882426 COCCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.1 1 3 -11.1382521750476 4882415 CC(C)(CNC(=O)CC1=CC=C(C=C1)OC)N2CCOCC2 1 1.465 2 3 0 -12.8551951258282 4882413 CN(C)C(CNC(=O)C1=CC(=CC=C1)OC(F)F)C2=CC=CO2 1 2.883 2 3 -6.60887644664847 4882410 CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC2=CC=CO2)Cl 1 1.378 2 4 0 -16.3750676317458 4882392 CCCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=CO2)N(C)C 1 2.933 2 3 -7.89124583390167 4882391 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=C(N3C)C 1 1.748 3 3 0 -15.0690422400503 4882369 CCOC1=C(C=CC=N1)C(=O)N(C)CC2COC3=CC=CC=C3O2 1 2.428 2 4 -8.67750305231429 4882368 CC1=CC=C(N1C)CNC(=O)C2=CC=C(C=C2)OCC(C)C 1 3.32 2 2 -12.5527376462502 4882367 C1CC(CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)O 1 4.457 2 2 -4.66125256843933 4882359 C1=CC=NC(=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N 1 1.303 3 3 0 -15.4052360344211 4882354 CN(C)C1(CCCCC1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)C 1 2.417 2 3 -14.0821573932788 4882340 COC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 1.875 4 3 0 -8.0085555359296 4882334 CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC(=CS2)C)N 1 0.875 4 3 0 -15.892830636554 4882326 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NC(=CS2)C 1 2.039 3 2 -20.0402924628804 4882314 C1CC(OC1)CN2C(=C(N=C2SCC(=O)NC(=O)N)C3=CC=CC=C3)C4=CC=CC=C4 1 3.756 4 3 0 -15.6687076641706 4882299 CC(C(=O)NC1=CC=C(C=C1)Cl)N(C)CC2=CC=CS2 1 3.428 2 1 -4.43092657994835 4882277 CC(C(=O)NC1=CC=CC2=CC=CC=C21)NC3=C(C=CC(=C3)NC(=O)C)OC 1 2.771 3 3 -11.9683190414162 4882273 CC1=C(C=C(C=C1OC)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OC 1 2.646 2 5 0 -18.8125335255367 4882264 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.704 3 5 0 -13.9974991819902 4882263 CC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br 1 3.72 2 2 -17.806738569945 4882259 CN(C)C(CNC(=O)C1=CC=C(C=C1)N2CCCC2=O)C3=CC=C(C=C3)OC 1 2.354 3 3 -15.4601995767462 4882249 CC1CCC(CC1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 2.205 2 4 -13.9685403611593 4882233 CCN(C1=CC=CC=C1)C(=O)C(C)OC(=O)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC 1 1.673 2 7 0 -19.125449021989 4882211 CC1=C(NC2=C1C=C(C=C2)C(=O)NC3CCCC3)C 1 3.365 2 1 -2.65099162098263 4882207 C1CN(CCN1C(=O)CCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 1.698 2 4 0 -20.1620366690943 4882191 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=NN2C3=CC=C(C=C3)O 1 2.865 4 3 0 -18.8249676371091 4882189 CN(C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=CS3 1 2.842 2 6 0 -17.5981387308865 4882187 CC1(C(=O)N(C(=O)N1)CC(=O)NC2CCS(=O)(=O)C2)C3=CC=CC4=CC=CC=C43 1 0.552 3 5 0 -13.6138899586714 4882182 CCC1=CC=CC2=C1NC=C2C(=O)CN3C(=O)C(NC3=O)(C)C4=CC=CC5=CC=CC=C54 1 4.476 3 3 -2.62477559643701 4882178 CN(CC1=CC=CS1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl 1 2.522 3 3 -17.7000777266881 4882169 CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(OC(=C3)C)C 1 3.921 1 4 -17.2837745188425 4882164 CC1CN(CC(O1)C)CC(=O)NC2=CC(=C(C=C2)OC)Cl 1 2.047 2 3 -10.206942687576 4882157 COC1=CC=C(C=C1)OCCOC(=O)C2=CC=C(C=C2)N3C=NN=N3 1 2.188 4 4 0 -17.4044784854219 4882153 COC1=C(C=C2CN(CCC2=C1)CC(=O)NC3=CC=CC=C3SC)OC 1 3.123 2 3 -17.3333124907454 4882151 CC(C1=CC=C(C=C1)F)NC(=O)CSC2=NC3=CC=CC=C3N2CCC#N 1 3.84 4 1 -14.7773741510725 4882141 C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CC3=C(C=CC=C3Cl)F 1 3.253 1 4 -8.24653429946842 4882139 C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=C(C=CS4)C(=O)N 1 2.51 5 2 0 -20.1777590855496 4882134 C1CC2=C(C1)SC3=NC(=NC(=C23)N4CCOCC4)C5=CN=CC=C5 1 2.897 4 1 -3.87865542101172 4882133 CC1=C(C=C(C=C1)SCC(=O)NCCN2C(=O)CSC2=O)C 1 2.473 2 3 -18.6750771607628 4882124 CC1CN(CC(O1)C)C2=NC=C(C=C2)S(=O)(=O)N3CCCC3 1 0.781 3 3 0 -15.8276806655991 4882122 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC3=CC=C(C=C3)C#N 1 2.983 4 2 -7.91227296073099 4882120 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C)N 1 1.757 6 3 0 -20.625561011938 4882119 CC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)NC2=CC=CC=C2CO 1 3.483 2 2 -6.36428725303706 4882108 CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CCCSC2=CC=CC=C2 1 3.689 2 2 -14.8260357037115 4882106 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=C3C(F)(F)F 1 3.722 4 3 0 -17.2206693971267 4882098 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)C2=CC(=CC(=C2)OC)OC 1 2.867 2 4 -15.5623145914571 4882091 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=NC=NC4=CC=CC=C43 1 2.789 4 3 0 -0.119912780290347 4882079 CCN(CC(=O)NC1=CC=C(C=C1)Br)CC(=O)NC2=NOC(=C2)C 1 1.828 4 3 0 -14.4774064569631 4882078 CC(C(=O)N1CCC2=CC=CC=C21)SC3=NN=C(N3C4CCCCC4)CC5=CC=CS5 1 5.656 4 1 -22.0525551013586 4882075 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)CC(=O)NC2=CC(=C(C=C2)F)Cl 1 1.931 4 3 0 -6.20103219011758 4882074 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)OC3=C(C=C(C=C3)F)Br 1 2.806 3 3 -10.78675326009 4882072 CCCN(CC(=O)NC1=CC=CC=C1C)CC(=O)NC2=NOC(=C2)C 1 2.09 4 3 0 -18.5245331824459 4882068 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CN3CCCC3 1 2.185 3 3 -11.4253383848055 4882059 CCSC1=NC2=NN(C(=O)C2=C3N1CCCCC3)C4=CC=CC=C4 1 3.554 4 1 -13.270251729469 4882051 CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.278 3 6 0 -28.7003412111912 4882049 COC1=CC=CC=C1CNC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.393 1 4 -11.3113485814709 4882048 CCCCCC1=NN=C(S1)NC(=O)CN2C=NC3=CC=CC=C3C2=O 1 2.363 5 2 0 -17.4393363752165 4882047 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CS2 1 2.176 2 3 -19.7914725609621 4882045 CC1=NN(C(=C1C(=O)NCC2=CC=CS2)Cl)C3=CC=CC=C3 1 3.329 3 1 -10.2395840765002 4882044 CC(C(=O)NCC1=CC=CS1)N2C(=O)C3=CC=CC=C3C2=O 1 1.729 2 3 0 -17.3547212398619 4882042 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2(CCCCC2)N3CCOCC3 1 2.021 2 4 -11.1246445387812 4882034 CC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C3=NC=CN=C3 1 3.452 3 2 -4.77867720308993 4882032 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCC3=CC=CS3 1 3.016 3 1 -10.5219549737727 4882031 C1CN(CCC1C(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3F 1 2.156 2 3 -21.052368491587 4882023 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CSC 1 3.656 1 1 -11.6380494335494 4882015 C1C(=NN=C(S1)NCC2=CC=CC=C2)C3=CC=CC=C3 1 3.73 3 0 -3.10733943516923 4882012 CCOC(=O)C=C1N(C(=O)C(=CC2=CC=C(C=C2)C#N)S1)CC(=O)NC3=CC=CC(=C3C)C 1 4.078 3 4 0 -8.01217198577576 4882010 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4 1 4.657 3 2 -16.8137652828711 4882007 CC(C1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(C=C3)OCCO4)O 1 2.046 3 4 0 -12.8261437830796 4882003 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C3=NN=C(SC3)NC4CC4 1 3.787 4 1 -5.63997245635285 4881998 CC(C1=CC=CC=C1Cl)OC(=O)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 2.193 2 5 0 -12.1089687248232 4881995 CC1=CC=C(O1)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2 1 2.225 2 4 -5.01949307767105 4881981 CCOC1=C(C=CC=N1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 2.809 3 5 0 -23.920654003346 4881978 CC1=CC(=CC=C1)OCCC(=O)NCC(C2=CC=CO2)N3CCCCC3 1 3.564 2 3 -16.1206384930764 4881975 CC1=C(C=C(C=C1)CC(C(=O)O)SCC2=CC=CC=C2)C 1 4.872 0 2 -3.90518944183626 4881971 C1C(=NN(C(=O)C1=O)C2=NC=NC3=CC=CC=C32)C4=CC=CC=C4Cl 1 3.435 4 2 3.70182963112979 4881965 COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3CC3)C4=CC=CC=C4 1 3.2 2 4 -12.2348386619816 4881963 CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3 1 2.204 2 5 0 -22.1727520111568 4881957 CC(C(=O)N1CCCCC1)N(C)CC(=O)NC2=CC=C(C=C2)OC 1 1.607 3 3 0 -10.9101950531213 4881954 C1=CC=C(C=C1)OCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 3.85 2 4 -9.19854883377181 4881950 CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 2.305 4 2 -4.04259664924134 4881949 CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 2.74 4 4 0 -22.6319936657383 4881943 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)CC 1 2.23 4 2 -13.1685900635421 4881940 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CSC3=CC=CC=C3 1 2.957 2 4 -7.37204806014826 4881939 COC1=C(C=CC(=C1)C(=O)OCC2=CC=CC=C2C#N)OCC(=O)N3CCOCC3 1 2.068 2 6 0 -19.3195923611153 4881938 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=CN3C 1 1.342 4 3 0 -22.7566164040254 4881936 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC3=NC=CN=C3C=C2 1 1.195 4 3 0 -11.0065791391808 4881933 CC(C(=O)NCC1=CC(=CC=C1)Cl)N2C(=O)C3=CC=CC=C3C2=O 1 2.654 2 3 -12.3837247945684 4881932 CN(C)C(CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C2=CC=CC=C2)Cl)C3=CC=CC=C3 1 4.147 3 3 -15.5229823853729 4881925 CC(C(=O)N1CCC2=CC=CC=C21)N(C)CC(=O)NC3=CC=CC=C3Cl 1 3.022 3 2 -14.1515675480479 4881923 CCN1C2=C(C=C(C=C2)C)C3=NC4=C(C=CC(=C4)C(=O)O)N=C31 1 4.085 3 2 -1.8293747628109 4881921 CC1CC2=CC=CC=C2N1C(=O)C(C)N3CCN(CC3)C4=CC=CC=N4 1 3.116 4 1 -8.88814041533436 4881920 CC(C#N)SC1=NN=C(S1)NC2=CC=CC=C2 1 2.515 4 0 -5.77255475724306 4881917 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3CCC(CC3)C(=O)N)C4=CC5=CC=CC=C5C=C4 1 3.124 4 3 0 -1.04976146590716 4881913 C1CS(=O)(=O)CC1N(CC2=CC=CC=C2)C(=O)CSC3=NC4=NC=C(C=C4N3)Cl 1 2.495 4 3 0 -16.8813079816625 4881911 C1C=CCC2C1C(=O)N(C2=O)CC(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 0.747 3 4 0 -13.7963781552634 4881901 C1COC(=O)C1SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)F 1 3.92 3 2 -4.45774608640594 4881897 CC(C1=CC=CC=C1)NC(=O)CN(C)CC2=CC(=CC=C2)Cl 1 3.588 2 1 -4.6703941906854 4881894 CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.34 2 5 0 -22.5879296315111 4881853 CCOC1=CC=C(C=C1)CN(C)C(=O)CCNC(=O)C2=CC=CO2 1 1.863 2 4 0 -15.2116109265765 4881854 CC1=CC(=C(C=C1)C)C2=NN=C(SC2)NCC3=CC=CC=C3 1 4.703 3 0 -1.0948114212811 4881892 C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N 1 2.427 5 3 0 -22.3238513874431 4881886 CC(C(=O)N1CCCC1)N(C)CC(=O)NC2=CC(=CC=C2)F 1 1.372 3 2 0 -8.35175466417861 4881880 CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)CN2C(=O)C(NC2=O)(C)C3CC3 1 2.662 3 3 -8.36390500311998 4881871 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32 1 2.493 2 5 0 -21.3930066178887 4881846 CC1=C(C(=NO1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=CC=C3)Cl)Cl 1 2.039 3 4 0 -21.9495992756081 4881824 COC1=CC=C(C=C1)N2CCN(CC2)CC3=C(C=C4CCCC4=C3)O 1 4.331 2 2 8.27216707495424 4881817 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NCC3=CC=CC=C3Cl 1 3.106 3 3 -16.9652092520784 4881816 CC(C)NC(=O)NC(=O)COC(=O)C1=C(C=C(C=C1)SC)OC 1 1.776 2 5 0 -11.9767834039237 4881814 CCOC1=C(C=CC=N1)C(=O)OC(C)C(=O)NC(=O)NC2CCCCC2 1 2.588 3 5 0 -16.2161213996358 4881805 C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4 1 2.579 4 2 -4.64301227514741 4881802 CCC(C)NC(=O)C1=C(C(=C(N1)C)C(=O)OC)C 1 2.16 2 3 -14.9939152481952 4881796 COC1=C(C=C2CN(CCC2=C1)C(=O)CCOC3=CC=CC=C3)OC 1 2.952 1 4 -15.0211537393263 4881794 CC1=CC(=C(C=C1)NCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C)Cl 1 2.542 3 3 -11.0246228860855 4881783 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3=CC=CC=C3F 1 3.329 2 4 -23.1612804249467 4881774 CCC1=CC2=C(S1)N=CN=C2SCC(=O)NC3CCS(=O)(=O)C3 1 1.572 3 3 0 -21.5455610608348 4881737 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)NS(=O)(=O)C3=CC=CS3 1 3.564 2 4 -2.26522460033831 4881733 COC1=CC=C(C=C1)CNC2=NN=C(CS2)C3=CC(=CC=C3)OC 1 3.698 3 2 0.602937470264674 4881730 CCCCNC1=NC2=CC=CC=C2N1CC(=O)NC3=C(C=CC=C3CC)C 1 4.823 4 1 -11.5415502820565 4881725 CC1=CC(=C(N1CC=C)C)C(=O)CN2C3=CC=CC=C3N=C2C(C)O 1 3.087 3 2 -12.413365449848 4881724 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC(=CC=C3)Br 1 2.644 2 4 -11.2559905327247 4881718 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC=NC3=C2C=CS3 1 2.315 4 2 -14.3733747329439 4881709 CN(CC1=CC(=C(C=C1)OC)OC)CC(=O)NC2CCCC3=CC=CC=C23 1 3.529 2 3 -10.3488862177279 4881702 CC1=CC=C(C=C1)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4 1 5.063 3 3 -13.5902236640599 4881686 CCOC1=C(C=C(C=C1)C(C)NC(=O)CC2=CC=CC=C2F)OCC 1 3.904 1 3 -16.1220120689626 4881679 COC1=CC=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 3.331 2 4 -18.1831780679546 4881677 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)NC(=O)CC4=C(C=CC=C4Cl)F 1 3.403 3 4 0 -21.9359870721493 4881671 C1=CC(=CC(=C1)Br)C(CC(=O)NC2=CN=CC=C2)NC(=O)N 1 1.258 4 2 0 -9.64598851685133 4881669 COC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.176 2 4 -19.0945837301901 4881666 CC1=CC=C(O1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.733 2 4 0 -15.1321355085945 4881662 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC(=O)NC5=CC=CC=C54 1 2.772 3 4 0 -22.1864274310572 4881660 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CCC4=CC=CC=C4 1 2.533 3 4 0 -22.3375901938901 4881659 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.927 3 3 0 -13.9671310793371 4881657 C1C(OC2=CC=CC=C2O1)CNC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3 1 0.77 3 5 0 -8.03820569994734 4881642 C1C(OC2=CC=CC=C2O1)CNC(=O)CCCC3=CNC4=CC=CC=C43 1 3.741 2 3 -14.7363806564386 4881641 CN(C)C(CNC(=O)C1=CC=CC=C1C(F)(F)F)C2=CC=CO2 1 3.019 2 2 -6.83372100742334 4881638 CN(C)C(CNC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=NN3)C4=CC=CO4 1 3.099 5 3 0 -8.80455253896919 4881633 CN(C)C(CNC(=O)CNC(=O)C1=CC(=C(C=C1)OC)OC)C2=CC=CO2 1 1.104 3 5 0 -18.2930148869419 4881632 C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(=O)NCC3=CC=CO3 1 2.31 2 4 -15.3048534795351 4881623 C1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)C#N)C3=CC=CO3 1 2.873 3 2 -15.9496341833725 4881621 CN(C)C(CNC(=O)C1=NC2=CC=CC=C2C=C1)C3=CC=C(C=C3)OC 1 3.387 3 2 -7.36753760236448 4881618 CC(=O)C1=CC(=C(C=C1)OCC(=O)NCC2(CCCCC2)N3CCCCC3)OC 1 3.367 2 4 -17.2771388468488 4881617 CCC(=O)C1=CC=C(C=C1)OCC(=O)NCC2(CCCCC2)N3CCCCC3 1 4.05 2 3 -14.3506727671604 4881616 CN(C)C(CNC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.193 2 2 -8.309121592497 4881605 CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=O)NC3=CC=CC=C32)OCC 1 3.046 2 4 -17.1879375462309 4881604 CC1=CC=CC(=C1C)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 3.556 3 1 3.11334649030904 4881602 C1C(=NN=C(S1)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 1 3.499 3 2 -3.69474700556651 4881597 CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.638 4 4 0 -24.2884234883958 4881591 COC1=CC=C(C=C1)C(CNC(=O)COC2=C(C=C(C=C2)F)Br)N3CCCC3 1 4.022 2 3 -13.9728508820616 4881578 C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C4=CC=CC=C4N=C3CO 1 1.551 3 4 0 -11.2683351016861 4881576 CCC(=O)NC1=CC=C(C=C1)C2=NN=C(SC2)NCC3CCCO3 1 2.293 4 2 -11.2584240710722 4881566 C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NC3=CC=CC=C3OC(F)F 1 3.235 2 3 -13.7810585994746 4881564 CC(C(=O)NC1CCCC2=CC=CC=C12)SC3=NN=C(S3)NC4=CC=CC=C4 1 4.443 4 1 -10.3388327184102 4881561 CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC(C2=CC=CC=C2)N(C)C)C3=CC=CC=C3 1 4.068 3 3 -16.4586278308291 4881560 COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.346 2 4 -16.7625497480983 4881554 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4CC4 1 2.467 3 3 -2.57907968538983 4881546 C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC(=CN=C4)Br 1 2.817 2 3 -11.773998536068 4881537 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)C4=CC=CC=C4Cl 1 2.128 5 2 0 -7.06055150248263 4881534 CC(C(=O)NC(=O)NC1CCCCC1)SC2=NN=NN2C 1 1.406 6 2 0 -19.8793504754444 4881526 CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CN=CC=C5 1 4.923 6 1 0 -10.8731135334384 4881525 CC(C1=CC=CC=C1)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C 1 3.191 3 1 -0.712702164847752 4881524 C1CC(OC1)CNC2=NN=C(CS2)C3=C(C=CC(=C3)F)F 1 2.917 3 1 -5.35144572199454 4881521 C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CC4=CSC=C4 1 2.916 1 3 -12.874987671732 4881507 CC(C)CCC(C)NC(=O)C1=CC2=NC=CN=C2C=C1 1 2.916 3 1 -10.2338169647477 4881488 CC(C(=O)NC(=O)NC1CCCCC1)N2CCN(CC2)C3=CC=C(C=C3)O 1 2.889 4 3 0 -6.98053450271759 4881473 CN(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.378 3 3 -18.9706044575749 4881472 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.565 3 3 -6.65996346393056 4881471 COC1=CC=C(C=C1)C(CNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3)N4CCOCC4 1 3.813 2 4 -12.8872241930712 4881441 CC(=O)NC(CC(=O)NCC1=CC(=CC=C1)OC)C2=CC=CC=C2 1 1.861 2 3 0 -15.7153429752737 4881429 CC1=CC=C(O1)C(=O)NC2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)NC4=CC=C(C=C4)OC 1 3.706 3 5 0 -3.03470190974359 4881420 COC1=C(C=C(C=C1)NC(=O)CCCSC2=CC=CC=C2)S(=O)(=O)N 1 2.266 2 4 -13.3613678673683 4881406 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CC=C(C=C3)Cl 1 4.007 2 3 -11.4401503629456 4881401 CCC(C)C(C(=O)NC1=CN=CC=C1)NC(=O)C2=CC=C(C=C2)Cl 1 2.971 3 2 -18.5820491379785 4881398 COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)Br)N3CCCC3 1 3.981 2 2 -13.1019709690525 4881397 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)NCCC3=CC4=C(C=C3)OCCO4)(C)C 1 2.433 3 5 0 -18.4064564600064 4881395 CN(C)C(CNC(=O)C1=CC(=CN=C1)Br)C2=CC=C(C=C2)OC 1 2.37 3 2 -4.63421089128371 4881390 COC1=CC=C(C=C1)NC2=NN=C(S2)SCC3CCCO3 1 2.642 3 2 -12.2435947879941 4881349 C1C=CCC2C1C(=O)N(C2=O)CC3=NN=C(O3)C4=CC=C(C=C4)Cl 1 2.175 3 3 -1.73518393550579 4881343 CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NC2=CN=CC=C2 1 2.183 3 3 -19.9814647845218 4881338 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CN=CC=C4 1 2.609 3 3 -15.0456566021403 4881336 CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 3.273 2 4 -10.0289791628699 4881319 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC3=C(C=C2)OCCO3 1 1.49 2 5 0 -16.8138522410587 4881291 CN(CC1=CC=CC=C1OC)C(=O)C2=CC3=CC=CC=C3O2 1 3.406 1 3 0.571704302859113 4881286 C1CN(CCN1C2=CC=CC=C2)C(=O)C3CC4CC3C=C4 1 2.566 2 1 0.601057447120231 4881278 CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)NC3=NC=CC=N3 1 3.205 5 1 -15.9682951362574 4881276 C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=CC4=C(C=C3)OCO4 1 2.352 3 3 0.570744863984691 4881272 CC1=CC(=NC2=CC=CC=C12)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.343 2 2 4.13991158982383 4881259 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=CS3 1 2.175 4 3 0 -21.0463099744919 4881250 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CSC3=NN4C(=O)C(=NN=C4S3)C(C)(C)C 1 5.974 5 2 0 -8.42327218755504 4881249 CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NN=C(N2CCOC)C3=CC=NC=C3 1 2.3 6 2 0 -11.399101239619 4881247 CC1=CSC(=N1)SC(C)C2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2 1 3.956 3 1 -7.14945060476572 4881245 CC1=CSC(=N1)SCC(=O)NC(C)C2=CC=C(C=C2)F 1 2.877 2 1 -16.4135774942179 4881244 CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)F 1 3.623 3 3 -17.2559241945654 4881230 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CN3C(=O)C4(CCC5=CC=CC=C54)NC3=O 1 3.665 3 4 0 -6.52456399379569 4881229 CC(C(=O)N1CCC2=CC=CC=C21)N3CCC4=CC(=C(C=C4C3)OC)OC 1 3.346 2 3 -17.0666499197735 4881226 CC1CC2=CC=CC=C2N1C(=O)CSC3=NN4C(=O)C(=NN=C4S3)C(C)(C)C 1 4.64 5 2 0 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-14.5741664551421 4880369 CCN1C2=CC=CC=C2N=C1SCC3=CC(=O)N4C=CSC4=N3 1 2.848 4 1 -16.419112927978 4880364 CC1CC2=CC=CC=C2N1C(=O)C(C)NC3=CC4=C(C=C3)OCCO4 1 3.203 2 3 -14.3040362149846 4880363 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)N3CCCC4=CC=CC=C43 1 3.247 3 3 -26.1841132538179 4880356 COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=N4 1 3.676 4 2 -7.27749131858802 4880355 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCCCCC2 1 2.111 3 3 -10.962308560291 4880352 C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)N4C=NN=N4 1 1.723 7 1 0 -11.6333879220743 4880322 CC(=O)NC(CC(=O)N(C)CC1=C(C(=CC=C1)Cl)Cl)C2=CC=CC=C2 1 3.412 2 2 -9.43560310803991 4880320 CC1CC(CN(C1)C(=O)C(C)N(C)CC(=O)NC2=CC=CC=C2Cl)C 1 2.926 3 2 -11.2077095970333 4880305 CC(C(=O)NCC1=CC=CC=C1)NC2=CC(=C(C=C2OC)OC)Cl 1 3.397 2 3 -11.7119337060813 4880293 CC1=C(C=CC=C1NC(=O)C2=CN3C=CC=CC3=N2)N4C=NN=N4 1 1.156 7 1 0 -19.5950858590782 4880286 CC1=NC2=C(C=C(C=C2)OC)C(=C1)N3CCC(CC3)C(=O)N 1 1.919 3 2 0 4.70001286665921 4880283 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN=CC=C3 1 1.01 3 4 0 -22.1395193268656 4880279 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 4.903 2 4 -5.00305237496847 4880266 CC1=C(C(=CC=C1)NC(=O)CNC(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C 1 3.879 3 3 -9.21805820804681 4880260 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N 1 3.041 2 3 -14.5117538368629 4880253 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2 1 3.713 1 3 -6.68754907863199 4880243 CCOC1=CC=C(C=C1)NC(=O)CNC(=O)CC2=CC=CC=C2 1 2.041 2 3 -12.7012787073386 4880239 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NCC3=CC=C(C=C3)OC 1 2.425 3 4 0 -16.0145360307391 4880236 CC1=CC(=NC2=CC=CC=C12)SCC(=O)N(C)CC(=O)NC3=CC=C(C=C3)F 1 3.691 3 2 -9.30495687424428 4880233 CC1=CC2=C(C=C1)N=C(N2)SCN3C(=O)C4=CC=CC=C4N=N3 1 4.548 5 1 -15.0166535640061 4880217 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4 1 1.893 2 4 0 -6.51494666359489 4880201 C1CN(CCC1CC2=CC=CC=C2)CC(=O)NC(=O)NCC3=CC=CC=C3 1 3.4 3 2 -3.79861655424275 4880188 CCN(CC1=CC(=O)N2C=CSC2=N1)CC(=O)NCC3=CC=C(C=C3)F 1 1.382 4 2 0 -19.1512501705902 4880180 CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(S3)N 1 2.186 5 0 -4.67878523195933 4880179 CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=NN=C(S3)N 1 2.81 4 1 -13.7117159790661 4880177 CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)NCCOC)[N+](=O)[O-] 1 2.389 3 4 0 -11.9076187130773 4880172 C1C(=O)NC2=CC=CC=C2N1C(=O)COC3=C(C=C(C=C3)F)Cl 1 2.332 2 3 -11.1123881063412 4880168 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC3=C(C(=C(C=C3)C)C)[N+](=O)[O-] 1 3.301 4 5 0 -10.4613478235783 4880167 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C4=CC=CC=C4 1 4.029 3 3 -18.7163905333036 4880158 CN(CC(=O)NC1=CC=C(C=C1)Br)CC(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.989 3 3 -5.25938135973859 4880155 CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)NC3=CC=C(C=C3)OC 1 3.717 2 3 -12.8229292818223 4880154 C1CCC(CC1)NC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F 1 4.203 2 1 -7.63666787891809 4880128 CC1=C(C=CC=C1Cl)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 2.542 3 3 -12.452631612087 4880121 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)NC3=CN=CC=C3 1 1.913 3 3 0 -12.8872446076699 4880120 CC(C)(C)C1=NC2=C(N1)C=C(C=C2)NS(=O)(=O)C3=C(C(=C(C=C3)F)F)F 1 4.256 3 2 0.165851944939059 4880075 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NCCC3=CC=C(C=C3)Cl 1 2.813 4 2 -10.7354316638978 4880078 CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)NC3=CC(=C(C(=C3)OC)OC)OC 1 3.684 2 5 0 -15.7715512686992 4880080 CC1=C(C=C(C=C1)NC(=O)C(C)NC2=NS(=O)(=O)C3=CC=CC=C32)F 1 2.432 3 3 -9.36004241805664 4880081 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CN=CC=C2 1 0.375 3 3 0 -13.4481789147053 4880083 C1CCC(CC1)NC2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl 1 4.589 2 2 -0.236637030358647 4880073 CCOC(=O)C1CCN(CC1)CC(=O)NC(=O)NC2CCCCC2 1 1.694 3 4 0 -11.5455266217313 4880070 CC(C(=O)NC1=CC=C(C=C1)C#N)N(C)CC(=O)NC2=CC(=CC=C2)OC 1 1.939 4 3 0 -11.7790998539913 4880065 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)NC2=CC=C(C=C2)Cl 1 3.163 2 2 -9.73156375398865 4880050 CN(CCOC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.166 3 4 0 -18.3245032176337 4880048 C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=NC=CN=C3)F 1 2.088 5 1 -17.7505966022693 4880047 C1=CC(=CC=C1CSC2=NNC(=N2)NC(=O)C3=CC=C(C=C3)C#N)Cl 1 4.106 5 1 -9.00888950686934 4880039 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC2=NN=CN2C3=CC=CC=C3)N 1 2.134 7 3 0 -19.2185375161123 4880034 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3 1 5.25 2 1 -12.4969261614691 4880032 C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)F 1 3.671 2 1 -5.36169160215235 4880029 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CS2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 3.061 2 5 0 -3.86735143120324 4880003 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CN4C=CC=CC4=N3 1 2.806 3 1 -9.12561597697365 4879989 C1CCN(C1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 3.535 2 1 -5.1939548699061 4879988 CC(C(=O)N1CCC2=CC=CC=C21)NCC3=CC4=C(C=C3)OCO4 1 2.537 2 3 -9.0725738923824 4879980 CN(CC1=CC=C(C=C1)Br)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 3.847 3 3 -4.62564795042961 4879979 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N(C)CC2=C(C=CC(=C2)Br)OC 1 3.634 3 5 0 -7.04471780669468 4879971 CC(=O)NC1=CC=C(C=C1)NC(=O)CN(C)CC2=CC=C(C=C2)SC 1 2.202 3 2 -4.55175180835427 4879968 CC1=CC(=C(C=C1)NC(=O)CN(C)CC2=CC=C(C=C2)F)[N+](=O)[O-] 1 3.126 3 3 -4.90575712107664 4879964 C1=CNC(=O)C(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F 1 0.661 2 4 0 -15.1878582789108 4879957 CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)O 1 3.508 2 4 -0.755299112873565 4879950 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CN=CC=C3 1 1.678 3 2 0 -5.40114317586747 4879946 CC1=CC(=C(O1)C)C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.077 1 2 -13.9261010362443 4879932 CC(C(=O)NC1=CC=C(C=C1)C#N)N(C)CC(=O)NC2=CC(=CC=C2)F 1 2.161 4 2 -9.93183337390436 4879916 CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 2.793 3 3 -10.2050415251054 4879910 C1=CC=C(C=C1)OCCNC(=O)CCC2=CNC3=CC=CC=C32 1 3.454 2 2 -14.9098145977481 4879906 CC1=CC=CC=C1NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 3.608 2 3 -11.9946155714161 4879901 COC1=CC=CC(=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.132 1 4 1.3039282595533 4879896 COC1=C(C(=C(C=C1)C(=O)NC2CCCC3=CC=CC=C23)OC)OC 1 3.588 1 4 -7.03752604112763 4879891 C1=CC=C2C=C(C=CC2=C1)C(=O)NCCCN3C=CN=C3 1 1.75 3 1 0 -2.98415821180705 4879890 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCCC2=CC=CC=N2 1 4.984 2 2 -13.2142552435996 4879889 C1CN(CC=C1C2=CC=CC=C2)C(=O)C3=CC=CC=N3 1 2.608 2 1 -7.92916155358593 4879888 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCCC3=CC=CS3 1 3.715 2 1 -18.6930230667992 4879886 CC(C)C1=CC=CC=C1OCC(=O)NC2CCCC3=CC=CC=C23 1 4.666 1 2 -7.98032418298757 4879883 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CSC3=C2CCCC3 1 3.839 1 3 -5.60517973034263 4879880 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC=CC=C2Cl 1 2.64 2 2 -18.0048477250482 4879879 COC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC=C2)Cl)C(=O)OC 1 3.124 1 4 -9.17187975455625 4879876 CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)NCC3=CC=CC=N3 1 3.273 3 1 -8.53565718198935 4879875 CCOC(=O)C1CCN(CC1)C2=CC(=NC3=C2C=C(C=C3)OC)C 1 3.121 2 3 1.48753304418706 4879874 CN(CC1=CC=C(C=C1)Cl)CC(=O)NCC2=CC=CC=C2 1 3.211 2 1 -6.51354543887448 4879872 CC1CN(CC(O1)C)C(=O)C(C)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 2.806 3 2 -6.13323715674982 4879867 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C2CCCCC2 1 3.841 2 2 -8.65819545827409 4879857 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=NN=C(S3)CC(C)C 1 3.075 3 4 0 -13.8390379560604 4879853 CC(C(=O)NCCC1=CC=C(C=C1)F)N2CCN(CC2)CC3=CC=CC=C3 1 3.515 3 1 -7.28459782069633 4879849 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N(C)CC2=CN=CC=C2 1 1.008 4 2 0 -9.56004851354347 4879847 CN(CC1=CC(=CC=C1)F)CC(=O)NC2=CC=C(C=C2)C(=O)OC 1 2.6 2 3 -4.68856533223286 4879844 CCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CC2CC3CCC2C3 1 2.596 2 3 -11.6794098163543 4879840 CCOC(=O)C1CCCN(C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C 1 1.569 2 4 0 -14.6641970329994 4879825 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)COC2=NC=NC3=CC=CC=C32 1 2.755 4 3 0 -9.09112215650566 4879824 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=CC=C3C4=CC=CC=C4 1 3.339 4 2 -5.41590468530667 4879819 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC(=CC=C3)F 1 2.026 4 2 -7.63676676813039 4879810 C1C(=O)NC2=CC=CC=C2N1C(=O)CN3C(=O)C(=C(C=N3)Cl)Cl 1 0.287 4 3 0 -6.40204767247215 4879803 CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)NC3CCCCCC3 1 4.297 1 3 -4.98255947225952 4879792 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCOCC3)Br 1 2.899 2 4 -2.57106681793658 4879787 COC1=CC=CC=C1CNC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F 1 4.377 1 3 -9.43182041770171 4879781 CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC(CC(C)C)C(=O)OC 1 2.748 1 5 -18.6287096803528 4879767 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C4=CN=CC=C4 1 2.951 2 3 -12.5675735281175 4879758 CC1=C(C=C(C=C1)NC(=O)C2=NC=CN=C2)S(=O)(=O)N(C)C 1 0.345 4 3 0 -14.6670394051584 4879756 COC1=C(C=C(C=C1)Cl)NC(=O)CN2C3=CC=CC=C3N=C2NCCO 1 2.174 4 3 0 -6.50316345348801 4879752 CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)N4CCS(=O)(=O)N=C4S3 1 3.28 3 4 0 -10.9494588201652 4879719 CCC1=CC=CC(=C1NC(=O)CN(C)CC2=CC=C(C=C2)Br)C 1 4.717 2 1 -5.95012851681482 4879718 C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 2.328 4 3 0 -15.6152532767253 4879710 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)NC2=CC(=CC=C2)OC 1 3.301 3 4 0 -8.98949369232373 4879707 C1=CC=C2C(=C1)N=C(S2)CCC(=O)NC3=CN=CC=C3 1 2.024 3 1 -6.41247767534567 4879706 CCC(=O)C1=CC=C(C=C1)OC(C)C(=O)NC2(CCCCC2)C#N 1 3.422 2 3 -12.322085788815 4879696 CCOC1=CC=CC=C1C(=O)NCC(=O)NCCCC2=CC=CC=C2 1 2.791 2 3 -17.4386943414794 4879694 CC1=CC(=NC2=CC=CC=C12)SCC(=O)N(C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 2.858 5 3 0 -7.09937901224514 4879691 C1CCCN(CC1)CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 3.89 2 2 -5.88437143337771 4879690 CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NN=C4N3C=CC=C4 1 3.096 4 1 -16.1977623691667 4879689 CC1=CC=CC=C1N2C(=NN=N2)SCCCC(=O)C3=CC=C(C=C3)F 1 4.317 4 1 -17.0054549698358 4879671 CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)C 1 2.75 2 3 0.867159500746999 4879668 COC1=C(C=C(C=C1)CC(=O)NC2=CC(=CC=C2)SC)OC 1 3.158 1 3 -7.0279485318341 4879667 COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CO2)N3CCCCC3 1 3.085 2 3 -13.715072222814 4879665 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CC2=CNC3=CC=CC=C32 1 2.192 3 3 -9.02783492690097 4879655 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)NC3=CC4=C(C=C3)OCO4)C 1 2.395 4 5 0 -20.4977202400196 4879650 COC1=CC=C(C=C1)OCCCC(=O)NC2=CN=CC=C2 1 1.852 2 3 0 -7.76773548565956 4879649 C1CC1(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F 1 4.099 1 1 -4.57505062559699 4879647 CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)CCNC(=O)C 1 2.815 2 4 -10.0837384958642 4879644 CN(C)C(CNC(=O)C1=C(C=CC=C1Cl)F)C2=CC=CO2 1 2.947 2 2 -7.99365438083603 4879643 C1CN(CCN1C(=O)CC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CS4 1 1.435 2 5 0 -21.9725549702709 4879638 CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CCNC(=O)C 1 2.151 2 4 -13.2342638554687 4879637 COC1=CC=C(C=C1)NC(=O)CCSC2=CC=C(C=C2)F 1 3.445 1 2 -4.20996216655251 4879635 COC1=CC(=C(C=C1)OC)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 2.181 2 4 -9.91451135193387 4879631 CN(CC1=C(C(=CC=C1)OC)OC)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 3.291 3 4 0 -9.9662654106538 4879619 CC1=C(C=C(C=C1)F)NC(=O)CCNC(=O)C 1 0.95 2 2 0 -12.2084190441685 4879609 C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN=C(S3)N)C(=O)C4=CC=CC=C4 1 3.851 4 2 -21.0512221467929 4879603 CCN(CC(=O)NC1=CC(=C(C=C1)Br)C)CC(=O)NC(C)C 1 2.325 3 2 -13.1374501426466 4879602 CC(C(=O)NCC1=CC=C(C=C1)OC)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C 1 2.8 3 3 -11.5937477802827 4879601 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)N(C)CC(=O)NC2=CC=C(C=C2)Cl 1 2.481 3 3 -10.719199565505 4879596 CC1=CC=C(C=C1)NC(=O)CN(C)CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br 1 3.454 4 2 -5.1181228936031 4879595 CC(C(=O)NC1=CC=C(C=C1)C#N)N(C)CC(=O)NC2=CC=CC=C2SC 1 2.497 4 2 -17.3556259211256 4879593 CC1CC2=CC=CC=C2N1CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl 1 3.624 3 1 -3.89610360534813 4879579 CCN(CC(=O)NCC1=CC=C(C=C1)F)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 3.672 3 2 -5.95902814806278 4879578 CC(=O)NC(CC(=O)NC1=C(C=CC(=C1)OC)OC)C2=CC=CC=C2 1 1.837 2 4 0 -13.6797813490855 4879575 C1CCCC(CC1)NC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.539 3 5 0 -28.2054063181792 4879566 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=NC(=CS3)C 1 2.266 3 2 -5.90683613267946 4879565 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CC(=CN=C3)Br 1 3.235 2 1 -5.40983133722072 4879563 CC1=CC(=C(C=C1NC(=O)CN(C)C2CCCCC2)OC)[N+](=O)[O-] 1 3.179 3 4 0 -13.5917764838437 4879562 C1CCN(C1)CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl 1 4.2 2 1 -2.28037795699077 4879560 CCN(CC(=O)NC1=CC(=C(C=C1)C#N)Cl)CC(=O)NC(C)(C)C 1 1.839 4 2 0 -13.6342292577618 4879558 C1=CC=C(C=C1)C2=NC=C(S2)CSC3=NN=CN3C4=CC=CC=C4 1 4.102 4 0 2.14209361394876 4879552 C1=CC(=CC=C1C(=O)OCC2=NC3=C(N2CCO)C=C(C=C3)Cl)O 1 3.066 2 4 1.44786277335114 4879551 CCOC1=CC=C(C=C1)CN(C)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.431 3 4 0 -5.65222350983423 4879550 C1CCCN(CC1)CC(=O)NC2=C(C=C(C=C2)Cl)F 1 3.199 2 1 -2.32132304899089 4879549 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CN=CC=C4)Cl 1 2.896 3 3 -19.0485347162207 4879545 C1COCCN1C2=CC=CC=C2NC(=O)COC3=CC=CC4=C3N=CC=C4 1 2.486 3 3 -12.261383442837 4879544 CC(=O)NCCC(=O)NC1=NC(=CS1)C2=CNC3=CC=CC=C32 1 1.496 4 2 0 -9.30260224103618 4879542 CC(C(=O)N1CCCC1)NC2=CC(=C(C=C2OC)OC)Cl 1 2.481 2 3 -10.5069847275606 4879541 CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2)NC3=C(C=CC(=C3)NC(=O)C)OC 1 2.655 4 4 0 -9.79646654215043 4879540 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3CCCO3 1 3.027 3 3 -19.4213861612114 4879539 CC(CCC1=CC=CC=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)O 1 3.505 3 2 -3.61270718752354 4879538 CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N 1 4.039 4 3 0 -14.2949673746553 4879533 CC1=CC(=C(C(=C1)Br)NC(=O)C(C)SC2=NN=NN2C)Br 1 3.327 5 1 -14.196079427623 4879525 CC1CN(CC(O1)C)C(=O)C(C)NC2=CC(=CC(=C2)OC)OC 1 1.798 2 4 0 -13.4729477205507 4879517 CN(CC1=C(C=CC=C1Cl)F)CC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 3.427 3 4 0 -19.6555797682299 4879513 CC(C(=O)N1CCCC2=CC=CC=C21)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F 1 2.967 3 3 -25.8200507494115 4879509 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)C3=C(C=CC(=C3)C)C 1 4.026 2 3 -9.61053169652297 4879508 CN(CC1=CC=C(C=C1)Br)CC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 3.182 3 3 -5.93001312166989 4879505 CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)OCC3CCCO3 1 2.236 2 3 -11.0762518347601 4879502 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C 1 4.34 3 5 0 -14.1600076325054 4879501 CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CN2C)F 1 2.334 3 1 -6.69676475847855 4879500 CN1C=CN=C1SCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N 1 0.331 4 4 0 -15.090547471899 4879496 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCC4=CC=CC=C4C3 1 2.506 2 3 -17.0168228292658 4879491 CC1CC2=CC=CC=C2N1C(=O)CNC3=CC=CC=C3N4CCCCC4 1 4.012 3 1 -8.66953730645858 4879488 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 3.021 3 4 0 -17.7060255028103 4879485 CC1=CC(=C(C=C1)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3)C 1 3.186 2 2 -10.0155420233988 4879478 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)CCC3=CC=C(C=C3)OC 1 2.204 3 4 0 -13.0512572532357 4879470 CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NN=CN2C 1 1.656 5 1 0 -11.4337114027363 4879469 CC1=CC(=C(C=C1)NC(=O)CN(C)CCOC2=CC=CC=C2)[N+](=O)[O-] 1 2.969 3 4 0 -6.39073854739454 4879468 CN(CC1=C(C=CC=C1Cl)F)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br 1 4.052 3 3 -9.45071380028289 4879467 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)N3CCOCC3 1 0.752 3 4 0 -14.858842918017 4879461 CN(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC)C3CCCCC3 1 2.832 3 4 0 -23.4812354128725 4879457 CN(CCOC1=CC=CC=C1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.147 3 4 0 -5.24613854983471 4879448 CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.386 3 3 -6.59814590341482 4879446 COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NC2CCCCCC2 1 3.207 2 3 -22.003984791608 4879444 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)NC3=CC4=C(C=C3)OCO4 1 1.697 4 5 0 -16.0558310891876 4879442 C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.982 2 4 0 -10.8476953351169 4879441 COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCO4)OC 1 1.949 2 6 0 -14.5837992720721 4879433 CC1CCCCC1NC(=O)CSCC(=O)O 1 1.514 1 3 0 -16.9187040273534 4879431 CN(C)C(CNC(=O)CC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2 1 2.718 3 3 -10.0763931249279 4879424 CC(CN1CC(=O)C(=C1N)C2=NC3=CC=CC=C3S2)O 1 1.324 3 2 0 -0.977211432832705 4879406 CC(C(=O)NCC1=CC=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.282 3 1 -7.5690369196562 4879401 CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CC(=O)N(C3)CC4=CC=CO4)C 1 2.672 3 3 -6.60556385818079 4879395 CC1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 2.684 3 3 -7.09498519107272 4879369 C1COC(=O)C1SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4 1 3.103 3 3 -1.50681867405204 4879367 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CN(C)C2CCCCC2 1 2.629 3 3 -19.8917253230474 4879365 CC1CC2=CC=CC=C2N1CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC 1 3.031 2 4 -12.0755998115331 4879358 C1CN(CCN1C2=CC=CC=N2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 5.198 3 0 0.502071443607752 4879353 C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC3=C(C=C(C=C3)Cl)Cl 1 3.774 1 4 -13.4765450625623 4879345 CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C 1 3.556 3 1 4.94395740699544 4879344 CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2CCCC3=CC=CC=C23 1 3.163 1 3 -12.5297916546421 4879342 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCN3C=CN=C3 1 1.336 4 3 0 -10.8365779928027 4879335 CN(CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])C2CCCCC2 1 2.692 3 4 0 -10.6444844084402 4879329 CC(C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)Cl 1 2.723 2 2 -12.4716988583381 4879325 CC(C(=O)NC1=CC=C(C=C1)F)NC2=C(C=CC(=C2)NC(=O)C)OC 1 2.068 3 3 -11.1189134641743 4879318 CC(C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)SC4=NNC(=N4)N 1 2.705 6 1 0 -6.0173682411106 4879312 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4 1 4.054 3 3 -16.0941345155463 4879311 CC(C1=CC=CC=C1)NC(=O)CN(C)CC2=CC(=C(C=C2)OC)OC 1 2.891 2 3 -11.4106252071936 4879304 CC1C(=O)N(C(=N)S1)C2=NC=C(S2)CC3=CC=CC(=C3)C 1 3.694 3 1 -4.39396075388292 4879303 CC1C(=O)N(C(=N)S1)C2=NC=C(S2)CC3=CC=C(C=C3)C 1 3.694 3 1 -4.49740769053008 4879299 C=CCN1C2=CC=CC=C2C3(C1=O)NNC4=CC=CC=C4O3 1 2.718 3 2 -7.96496715516607 4879298 C1=CC=C2C(=C1)NNC3(O2)C4=C(C=CC(=C4)Br)NC3=O 1 2.643 3 2 -3.65278623230555 4879291 CC1(C(=O)N(C(=O)N1)NC(=O)CSC2=NN=CN2C)C3=CC=CC=C3 1 0.414 6 3 0 -19.358154767072 4879285 CC(C(=O)NC1CCCC2=CC=CC=C12)SC3=NC4=CC=CC=C4S3 1 5.14 2 1 -6.4634154202035 4879284 CC1=CC(=C(C=C1NC(=O)CN(C)CCOC2=CC=CC=C2)OC)[N+](=O)[O-] 1 2.952 3 5 0 -9.67423062285473 4879277 CC(C(=O)NCC1CCCCC1)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.539 4 3 0 -11.8384146483982 4879271 CC1CCCCN1C(=O)CSC2=NC(=O)C=C(N2)N 1 0.795 4 2 0 -17.3747945930196 4879270 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN(C)CC3=CC(=CC=C3)F 1 4.452 3 3 -11.0133343005299 4879265 CC1=CC(=C(N1CC=C)C)C2=NN=C(SC2)NCC3=CC=CC=C3 1 3.938 4 0 -9.22606497854989 4879251 CN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCCN3C=CN=C3)Cl 1 2.2 4 3 0 -12.4462479713398 4879246 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C(C=C(C=C3)F)Cl 1 3.81 2 4 -17.6005852365659 4879241 CCOC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)NC3CCCC4=CC=CC=C34)OC 1 4.573 2 5 0 -15.7485929536019 4879239 CC(C)CC1C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 2.916 3 3 -7.5878073102463 4879234 CC(C(=O)NC1CCCC2=CC=CC=C12)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C 1 3.832 3 2 -9.61835544900069 4879229 CCC1=CC=CC(=C1NC(=O)CN2C3=CC=CC=C3N=C2NCCO)C 1 2.955 4 2 -8.96788474229143 4879225 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CNC(=O)C3=CC=CC=C3F 1 1.934 4 2 0 -15.4269479940171 4879217 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC3=CC(=CC(=C3)C)C 1 3.407 3 3 -11.9757694899894 4879215 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N(C)CC2=C(C(=CC=C2)OC)OC 1 2.869 3 6 0 -7.73307825019293 4879201 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC(=C4)C 1 3.089 4 5 0 -15.745623884249 4879191 CC(C)C(C(=O)N(C)CC(=O)NC1=CC=C(C=C1)OC)NC(=O)C2=CC=CO2 1 1.646 3 5 0 -17.0933060677802 4879165 C1C(CN(C1=O)CC2=CC=CO2)C(=O)NC3=CC(=C(C=C3)F)Cl 1 1.944 2 3 0 -6.93769932063735 4879158 CC1=CC=C(C=C1)C2C(C(=O)NN2)NC(=O)C3=CC=CC=C3 1 1.658 3 2 0 -5.83429237854411 4879149 CCOC1=C(C=CC(=C1)C(=O)NCC2=CC=CC=C2)OCC(=O)N3CCCCC3 1 3.12 2 4 -19.7786616397295 4879148 CS(=O)(=O)C1=CC=CC=C1C(=O)NC2CCCC3=CC=CC=C23 1 3.163 1 3 -11.8352559264062 4879144 CSCC1=C(OC2=CC=CC=C21)C(=O)NC3CCCC4=CC=CC=C34 1 4.781 1 2 -3.49506025284153 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CCCC(C)NC(C)C(=O)NC1CCCC1 1 2.436 2 1 -11.646899665291 4878511 CCOC(=O)C=C1N(C(=O)C(=CC2=CC=CC=C2C)S1)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.488 2 6 0 -11.3760547480421 4878503 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4 1 3.661 3 3 -24.7841031860729 4878501 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3)N 1 1.249 4 6 0 -23.8143612669062 4878497 C1=CC(=CC(=C1)F)NC(=O)COC2=CC=C(C=C2)N3C=CN=C3 1 2.325 3 2 -3.00806466593191 4878484 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=NC=CC=N3 1 2.773 3 1 -11.7308743527586 4878482 CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)NCC3CCCO3 1 2.984 2 2 -12.7491109167443 4878479 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)NC2=CC(=CC=C2)F 1 1.67 3 3 0 -12.0375453821821 4878458 CN(CC1=CC=C(C=C1)Cl)C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 3.442 2 2 -8.9601710357668 4878446 CCC1=C(C=C(S1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC)C 1 2.655 2 5 0 -21.7462929301945 4878437 CC1=CC=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)F)N3CCOCC3 1 3.168 2 2 -13.2969863938024 4878436 COCC1=C(OC2=CC=CC=C21)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F 1 2.983 3 3 7.10680817308484 4878433 CC1=C(C(=NO1)C)C(=O)NC(C)C2=C(C=C(C=C2)Cl)Cl 1 3.21 2 2 -8.42719104697281 4878431 CCC(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 4.261 2 3 -17.4329865968414 4878376 C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(S3)[N+](=O)[O-] 1 2.556 4 3 0 2.75891173951557 4878380 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)C2=C(OC(=C2)C)C 1 2.31 2 4 -19.3464569460992 4878382 COC1=CC=CC(=C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-] 1 2.786 3 4 0 -7.24353004163429 4878385 CCCN(C1CCS(=O)(=O)C1)C(=O)CC2=CSC(=N2)C3=CC=CC=C3 1 2.468 2 3 -13.699446271494 4878390 CC(C1=CC=C(C=C1)F)NC(=O)C2=CC=C(C=C2)N(C)C 1 3.366 2 1 -9.35032574823283 4878426 CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=C(N=CC=C2)OCC)OCC 1 3.384 2 4 -15.9282491843889 4878418 CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)C2=CC=NC=C2 1 3.177 2 1 -6.45853480241739 4878417 CC1CCCCN1C(=O)COC(=O)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC 1 0.558 2 7 0 -20.2408354807064 4878366 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F)(C)C 1 2.419 4 5 0 -13.4414645638739 4878363 CC(C)NC(=O)NC(=O)CN1C(=O)C2(CCC3=CC=CC=C3C2)NC1=O 1 1.145 4 4 0 -13.0504034328239 4878361 CC1=CC(=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC=N3)C 1 3.566 3 1 2.55560792601258 4878357 CCC1CCCCN1C(=O)CSC2=NN=C3N2C(=CC(=N3)C)C 1 2.952 5 1 -21.0257037180748 4878355 COC1=CC2=C(C=C1)C3(CCC2)C(=O)N(C(=O)N3)CC(=O)C4=C(C=CC(=C4)F)F 1 3.365 2 4 -2.57880632144385 4878352 CC(C)(C)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N3C=CN=C3 1 3.52 3 2 -2.22093618245106 4878349 C1C(OC2=CC=CC=C2O1)C3=NN=C(O3)SCC(=O)NC4=C(C=C(C=C4)F)Cl 1 3.491 3 4 0 -10.5895226296789 4878328 CC1C(=NN2C(=NN=C2S1)C)C3=CC(=C(C=C3C)C)C 1 3.998 4 0 -3.26007892922633 4878325 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CSC=C3)CC4=CC=CC=C4 1 4.193 4 2 -6.42047398521857 4878307 C1C(=NN=C(S1)NCC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.393 4 4 0 -5.06425198161216 4878304 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CS3 1 3.088 2 3 -19.4468669600674 4878299 CC(C(=O)N(CCC#N)CC1=CN=CC=C1)SC2=CC=CC=C2 1 2.533 3 1 -10.0075488234621 4878293 COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)N=CN4 1 2.594 4 3 0 -16.0355642349601 4878292 CC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.268 3 2 -5.3246933141138 4878285 CC(C1=CC=CC=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2F 1 2.779 2 3 -23.6396215063433 4878277 CC(C1=CC=CC=C1)NC(=O)COC2=CC=CC=C2C3=CC=CC=C3 1 4.352 1 2 -8.10133250463642 4878275 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CO5 1 3.311 3 4 0 -5.15234581278501 4878270 CC(C(=O)NCCC1=CC=CC=N1)NS(=O)(=O)C2=CC=CC=C2 1 1.181 3 3 0 -17.9238664448716 4878268 CC1CCN(CC1)C(=O)CCNC(=O)C2=CC=CC=C2 1 1.72 2 2 0 -16.5798661037311 4878260 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CC2CC3CCC2C3 1 3.236 2 2 -8.50075099204282 4878256 CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4CC=CCC4C3=O 1 1.708 4 5 0 -9.35668583808862 4878254 CC(C)OC1=C(C=C(C=C1Cl)C(=O)NCC2(CCCCC2)N3CCOCC3)OC 1 3.936 2 4 -13.0293139376921 4878242 CN(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)C23CC4CC(C2)CC(C4)C3 1 4.1 2 2 -3.44207540807197 4878220 CCC(C1=CC=CC=C1)C(=O)NC2=NC=C(S2)C 1 2.71 2 1 -6.26540479415993 4878219 CC(C1=CC=C(C=C1)F)NC(=O)CC2=CC=C(C=C2)F 1 3.444 1 1 -7.65815234534294 4878205 CC1CCCN(C1)C(=O)COC(=O)C2=CC=CNC2=O 1 -6.e-003 2 4 0 -15.0760997490148 4878203 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)N3CCC(=N3)C4=CC=CC=C4)C(=O)OC 1 2.804 4 3 0 -30.3879036178213 4878202 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NCC(C)(C)CN(C)C)C 1 1.56 2 3 0 2.75515107674304 4878152 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)NC(=O)C3=C(ON=C3C)C 1 2.454 3 5 0 -17.0214701200105 4878148 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC=NC=C3 1 1.901 4 3 0 -16.0506670609773 4878144 CN(CC1=CC=CC=C1)C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 2.778 2 2 -11.5969846311332 4878143 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N(C)CC2=CC=C(C=C2)C(F)(F)F 1 3.101 3 2 -4.09967607288743 4878127 CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C 1 4.761 4 4 0 -3.78330809621723 4878118 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)CC3=C(C=CC(=C3)OC)OC 1 3.212 3 4 0 -6.90999694946238 4878078 CC1=C(C=CC=C1Cl)N2C(=O)CC(C2=O)NNC(=O)C3=CN=CC=C3 1 1.242 4 3 0 -8.64860370106913 4878112 CC1=CC(=NC2=NC(=NN12)SC(C)C(=O)N3CCOCC3)C 1 1.306 5 2 0 -15.0530149523855 4878106 COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=CC=CC=C3O2)N4CCCC4 1 3.828 2 3 -9.04415207309629 4878098 CC(=O)C1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 2.159 3 3 -2.31144926482131 4878096 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CO3)Cl 1 2.708 2 4 -14.8277031392645 4878085 COC1=CC=C(C=C1)CCN2C(=O)CC(C2=O)NNC(=O)C3=CC(=CC=C3)O 1 1.311 3 5 0 -6.57464277023369 4878082 CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)NNC(=O)CC3=CC=C(C=C3)F)Cl 1 2.633 3 3 -7.24068192564209 4878076 CCCC(C)NC(=O)C1=C2CCCC2=NC3=CC=CC=C31 1 3.994 2 1 -8.59655666535992 4878064 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=NC=C2 1 1.245 3 3 0 -11.1355273422633 4878058 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC4=CC=CC=C4O3 1 3.73 2 4 -13.7364512062075 4878056 C1C=CCC2C1C(=O)N(C2=O)CCC(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)F 1 2.674 3 3 -3.62690762768563 4878053 CSCCC(C(=O)NCCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2 1 2.814 2 2 -22.3584154964165 4878046 CC(=O)NC1=CC=C(C=C1)C2=NN=C(SC2)NC3=CC(=CC=C3)S(=O)(=O)N(C)C 1 1.961 5 3 0 -13.3239976391473 4878043 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)CN3C(=O)C4(CCCC5=C4C=CS5)NC3=O 1 4.334 3 3 -6.45226112379717 4878041 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CN3C(=O)C4(CCCC5=C4C=CS5)NC3=O 1 3.653 3 4 0 -8.68722602352813 4878039 CC1=C(C(=CC=C1)C)OCCN2C(=O)C(NC2=O)(C)C3=CC=CC=C3 1 3.68 2 3 -3.2931387636945 4878038 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3C(=O)C4(CCCC5=C4C=CS5)NC3=O 1 3.669 3 3 -8.94075232497162 4878036 C1=CC=C(C=C1)CCCNC(=O)CC(C2=CC=CC=C2Cl)NC(=O)N 1 3.109 3 2 -15.3365759404993 4878034 CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC(=CC=C2)OC 1 3.401 1 4 -11.8739560191319 4878031 C1=CC=C(C=C1)C(CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)NC(=O)C3=CC=CC=C3Cl 1 3.232 3 4 0 -21.4649150326304 4878027 CC1=CC(=C(N1CCOC)C)C2=NN=C(SC2)NC(C)(C)C 1 2.538 4 1 -14.9903824801743 4878026 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=C(O3)Br 1 3.098 2 4 -19.2262749219842 4878012 CC(=O)C1=CC=C(C=C1)OCC(=O)NCC(C2=CC=CO2)N3CCCCC3 1 2.569 2 4 -18.3437410856981 4878003 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=CC=C3 1 2.586 2 3 -18.9156322227888 4877989 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=NOC(=C2)C 1 1.441 3 5 0 -24.5217309894476 4877981 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C3=NN=C(SC3)NC 1 3.979 4 0 -3.27639135553072 4877971 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CC34CC5CC(C3)CC(C5)C4 1 4.055 2 4 -10.9979051626619 4877969 CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)N2CCCCCC2 1 3.43 2 1 -9.95418067494792 4877961 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)N(C)CC3=C(C=CC=C3Cl)F 1 3.679 2 3 -10.9205737480613 4877960 CC1=CC=CC=C1CN(C)C(C)C(=O)NC2=CC=CC=C2F 1 3.715 2 1 -5.33897990522559 4877945 C1CC(OC1)CNC(=O)CN2C3=CC=CC=C3N=C2NCCO 1 0.308 4 3 0 -17.0938235321516 4877935 CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)NC3=CC=CC=C3)C 1 4.966 2 1 -10.5800545222839 4877929 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CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N(C)C 1 1.975 3 4 0 -12.0326803150503 4877851 C1CC(C2=CC=CC=C2C1)NC(=O)C34CC5CC(C3)CC(C5)(C4)O 1 3.312 1 2 -6.51024034534387 4877843 C1CC(OC1)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=CC=CO4 1 4.109 2 3 -15.6764077621946 4877838 CCNC(=O)NC(=O)C(C)N1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 1.983 4 4 0 -12.8673491544973 4877832 CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)N2CCCC2)C 1 2.742 2 3 -9.97700967520719 4877831 C1CCN(CC1)C(CNC2=NS(=O)(=O)C3=CC=CC=C32)C4=CC=CO4 1 2.576 3 3 -12.2828984756284 4877830 CC(C(=O)N1CCC2=CC=CC=C21)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.334 3 2 -10.8805526599324 4877824 C1CCN(C1)C(CNC(=O)C2=CC=C(C=C2)C#N)C3=CC=CO3 1 2.417 3 2 -15.5951656692044 4877821 CC(C1=CC=CC=C1OC)NCC(=O)NC2=C(C=CC=C2F)F 1 2.776 2 2 -6.330522008353 4877808 C1CCN(C(C1)C(=O)NC2=NN=C(S2)C3CC3)S(=O)(=O)C4=CC=CC=C4 1 2.128 4 3 0 -18.681567652113 4877807 CC(C(=O)OCC(=O)NC(=O)NCC=C)OC1=C(C=C(C=C1)Cl)Cl 1 2.79 2 5 0 -15.4333046066041 4877804 CC(CCC1=CC=CC=C1)NC(=O)CN2CCSC3=CC=CC=C32 1 4.15 2 1 -12.3444274341045 4877802 CN(C)C1=CC=CC(=C1)C(=O)NC2CCCC3=CC=CC=C23 1 3.799 2 1 -9.54926005686052 4877786 C1=CC=C2C(=C1)C(=CN2)C3=CN4C=CC=CC4=N3 1 2.81 3 0 -1.42601581336258 4877776 CC1C2=CC=CN2CCN1S(=O)(=O)C3=CC=CC=C3C(=O)OC 1 2.066 2 4 -21.5651507835464 4877774 C1=CC(=CN=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.302 4 3 0 -4.4464067637524 4877773 CC1CCC2=C(C1)SC=C2C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.761 2 2 -8.0057603601355 4877770 CC1=C(SC(=N1)NC(C)COC)C(=O)C 1 0.723 2 2 0 -8.35990081340909 4877769 CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)NCCCOC(C)C 1 3.624 2 2 -11.2528344196501 4877762 CC1CN(CC(O1)C)CC(=O)NCC2=CC=C(C=C2)F 1 1.611 2 2 0 -13.1394337388013 4877756 CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3N2C 1 3.481 3 1 -6.13232286806564 4877735 C1CC(C2=CC=CC=C2C1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F 1 3.432 2 3 -15.6638531487107 4877709 COC1=CC=C(C=C1)NC2=NN=C(CS2)C3=CC4=C(C=C3)OCCO4 1 3.493 3 3 -3.24418496430176 4877702 COC1=CC(=C(C=C1)OC)C2=NN=C(SC2)NCC3=CC4=C(C=C3)OCO4 1 3.466 3 4 0 -5.13521016584057 4877701 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CC4=CC=CC=C4F 1 3.008 4 3 0 -17.9946925539092 4877700 CN(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3 1 3.32 3 3 -13.8871306295917 4877695 CC(C)C1=CC=C(C=C1)CN(C)C(=O)C(C)NC(=O)OCC2=CC=CC=C2 1 4.128 2 3 -5.32963375946286 4877694 CC(C(=O)N(C)CC1=CC=C(C=C1)Cl)NC(=O)OCC2=CC=CC=C2 1 3.598 2 3 -4.17366028384457 4877693 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=CC=C2F)C3=CC=C(C=C3)OC 1 1.908 3 4 0 -12.5070878145038 4877687 CC(C1=CC=C(C=C1)F)NC(=O)COC2=CC=C(C=C2)NC(=O)C 1 2.16 2 3 -10.5793301598359 4877685 CC(C1=CC=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C2NCCO 1 1.91 4 2 0 -12.3669221737787 4877671 C1CCC(C1)C(=O)NC2CCCC3=CC=CC=C23 1 3.643 1 1 -3.7942048613161 4877669 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.873 2 5 0 -20.0224282240762 4877661 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C 1 2.393 3 5 0 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C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)N4CCC(CC4)C(=O)N 1 2.009 4 3 0 -7.37062336266866 4877568 CCC1=NN=C(S1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3 1 2.037 4 3 0 -22.2569444939924 4877567 CCCC(C1=CC=CC=C1)C(=O)NC2=NCCS2 1 3.512 2 1 -15.1317980756661 4877563 CC(C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)NC(=O)C3=CC=CO3 1 2.477 3 3 -2.98424264003121 4877559 C1CN(CCN1CC(=O)NC2=C(C=CS2)C#N)C3=CC=CC=N3 1 1.639 5 1 0 -7.39192155658106 4877558 CC1CC2=CC=CC=C2N1C(=O)C(C)NC3=CC=C(C=C3)N4CCOCC4 1 3.267 3 2 -10.8336476472872 4877554 CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC3=CC=C(C=C3)OC 1 2.913 3 2 -5.61113849083366 4877547 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C2=NC=C(C=C2)C(F)(F)F 1 3.311 3 1 -4.14137102090515 4877543 CC(C1=CC=CC=C1)NC(=O)CSC2=CC=CC(=C2)C(F)(F)F 1 4.334 1 1 -7.42323549710677 4877537 CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 4.135 3 2 -15.5908536457266 4877520 CC1CC1C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3 1 3.478 1 1 0.193885458885089 4877515 CC(C(=O)N1CCCC1)N2CCN(CC2)C3=CC=CC=C3O 1 1.918 3 2 0 -6.33581170894684 4877513 CC1=C(C(=CC=C1)OCC(=O)NC2CCCC3=CC=CC=C23)C 1 4.445 1 2 -5.21790087177409 4877512 CC(CCC1=CC=CC=C1)NC(=O)C2=CN=C(C=C2)Cl 1 3.499 2 1 -11.0507267802835 4877507 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=CS3)N(C)C 1 3.678 3 3 -16.5646511904828 4877505 CC(C(=O)N1CCN(CC1)C2=CC=CC=C2OC)NC(=O)C3=CC=CO3 1 1.796 3 4 0 -9.58080191318454 4877504 COC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C2)CC3=CC=CO3 1 1.058 2 4 0 -8.98981725306892 4877480 C1CCN(C1)C(CNC(=O)C2=CC=C(C=C2)Cl)C3=CC=CO3 1 3.202 2 2 -11.1474278289469 4877474 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)Cl 1 1.233 4 5 0 -24.7606202705494 4877465 CN(CC(=O)NC1=CC=C(C=C1)F)C2=NC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.18 4 3 0 -17.4453268650874 4877459 CC1CC2=CC=CC=C2N1CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.786 3 3 0 -12.7249696451175 4877457 CC1=CC(=C(C=C1Cl)OC)NC(=O)CNC(C)C2=CC=CC=C2OC 1 3.499 2 3 -8.35136538852091 4877452 C1C2CC3CC1CC(C2)(C3)CC(=O)NCC4=CC=C(C=C4)S(=O)(=O)N 1 2.252 2 3 -14.4254347664713 4877451 COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)CN2C(=O)C3CC=CCC3C2=O 1 0.976 3 5 0 -10.3445426631184 4877450 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3Cl 1 2.564 2 2 -16.8860599218099 4877444 C1CC(OC1)C(=O)N2CCN(CC2)CC3=C(C=CC4=CC=CC=C43)O 1 2.119 2 3 -6.2841107821542 4877442 C1=CC(=C(C=C1Cl)Cl)C(=O)NCC(=O)NCCCN2C=CN=C2 1 1.23 4 2 0 -8.47383381535887 4877436 CCN1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCCC3 1 0.644 4 2 0 -10.025296830918 4877389 CC(C1=CC=CC=C1)NC(=O)COC2=CC=CC=C2NC(=O)C 1 1.954 2 3 0 -16.1348590129067 4877380 CC(C)CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCC2 1 3.203 3 3 -8.07600830002477 4877370 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)OC 1 3.017 3 4 0 -25.8263736101166 4877362 CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4 1 2.991 2 5 0 -21.063323220274 4877347 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)NN3C(CCCC3C)C 1 3.837 2 3 3.75171883807512 4877346 CCCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C2=CC=CC=C2 1 2.767 2 3 -17.7798230920567 4877345 CC(CCC1=CC=CC=C1)NC(=O)C2=CC(=CN=C2)Br 1 3.374 2 1 -8.49242296245797 4877340 C1CN(CCN1C2=CC=CC=C2)C(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5 1 1.93 3 4 0 -9.0526072862145 4877334 CCC(C)NC(=O)C(CCSC)NC(=O)C1=CC=CC=C1 1 2.159 2 2 -23.9660818181714 4877326 CCN1C(=O)C(=O)N(C1=O)CC(=O)NC(C)CCC2=CC=CC=C2 1 1.476 3 4 0 -12.806177575692 4877320 CC1CC1C(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 2.904 2 1 0.503681824507904 4877319 CC(=O)NC(CC(=O)NC1=CC2=C(C=C1)OCCO2)C3=CC=CC=C3 1 1.656 2 4 0 -15.4203416424017 4877306 CC(C(=O)NC1CC1)OC(=O)C2=CC=CC=C2OC3=CC=CC=C3 1 3.279 1 4 -9.52571406882074 4877291 CC(C(=O)NCCC1=CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC=C 1 4.724 3 2 -25.6096603033822 4877285 CC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 2.849 2 4 -15.6129261991823 4877283 COC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC=CC=C3N4CCOCC4 1 1.719 3 4 0 -8.47168555781027 4877281 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NCC3COC4=CC=CC=C4O3)C 1 2.745 2 4 -8.79202863494797 4877277 COC1=CC=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CO2 1 1.871 2 4 0 -19.4587467781084 4877268 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3CC4=CC=CO4)C5=CC=C(C=C5)OC 1 4.052 4 5 0 -12.4666467364967 4877263 CC(C)C(C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 2.967 3 4 0 -19.2443255772472 4877259 CC(CCC1=CC=CC=C1)NC(=O)C2=C(N=CC=C2)SC 1 3.706 2 1 -13.7713553059711 4877254 C1CN(CC2=CC=CC=C21)C(=O)CNC(=O)CC34CC5CC(C3)CC(C5)C4 1 2.887 2 2 -15.9847235680524 4877253 CC(C(=O)N1CCC2=CC=CC=C2C1)NC3=NS(=O)(=O)C4=CC=CC=C43 1 2.028 3 3 -14.2004441351612 4877250 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCOC3=CC=CC=C3)C 1 3.194 2 3 -1.46876913139237 4877230 CCC(C1=NN=C(N1C2CCCCC2)SCC(=O)NCC=C)N(C)C 1 3.292 5 1 -24.3120781405385 4877225 CSCCC(C(=O)NCCC1=CC=C(C=C1)F)NC(=O)C2=CC=CO2 1 2.414 2 3 -18.2920970675781 4877213 CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)NC(=O)COC4=CC=CC=C4C#N 1 3.887 4 2 -7.55009887455751 4877197 CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)NCCC2=CC=CC=N2 1 0.741 3 4 0 -12.5355661702188 4877194 CCC(C)NC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 1 3.692 1 2 -13.8485395772677 4877185 CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCCO3)C 1 2.881 2 2 -9.43526181552288 4877184 CCOC1=C(C=CC=N1)C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 2.578 3 4 0 -19.7459750487163 4877182 CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F 1 3.347 1 3 -12.928859791598 4877178 CC(C(=O)C1=CC=CC=C1)OC(=O)CN2C(=O)C(NC2=O)(C)C 1 1.288 2 5 0 -11.7609023496594 4877174 CC1=NN(C(=C1C(=O)NC2CCCC3=CC=CC=C23)Cl)CC4=CC=CC=C4 1 4.612 3 1 -10.0516677604232 4877173 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)CC3)C4CCS(=O)(=O)C4 1 1.45 4 4 0 -16.0375514306281 4877159 CC(C1=CC=C(C=C1)F)NC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C 1 2.032 2 4 -15.2202875206055 4877155 CC(C1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)O 1 2.674 1 2 -8.44873885788547 4877144 CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC(C)C(=O)OC 1 1.517 1 5 0 -16.357281010811 4877140 CCC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OC 1 2.499 1 3 -20.1369702782127 4877137 CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NNC(=N4)N 1 3.069 4 1 0.554943460027038 4877131 CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=CC=N3)[N+](=O)[O-] 1 3.189 2 5 0 -5.18388788453058 4877129 CCC(C1=NN=C(N1C2CCCCC2)SCC(=O)N3CCOCC3)N(C)C 1 2.569 5 2 0 -21.1237990107076 4877126 CCOC(=O)C=C1N(C(=O)C(=CC2=C(C=CS2)C)S1)CC(=O)NCC3=CC=C(C=C3)C 1 4.159 2 4 -11.894423270524 4877112 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CCC2=CNC3=CC=CC=C32 1 2.516 3 3 -16.8334389545624 4877108 CC(C)NC(=O)NC(=O)COC(=O)C1CCCN1C(=O)C2=CC=CS2 1 1.067 3 5 0 -21.2462146362797 4877102 CC(=O)NC(CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)C3=CC=CC=C3 1 1.904 3 4 0 -24.6565774209766 4877095 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC3=C(S2)CCC(C3)C)C 1 3.978 2 3 -13.1416975588771 4877073 COC1=CC=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 1.627 4 3 0 -5.18678902081778 4877048 COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)CNC(=O)C2CCCCC2 1 2.414 1 7 0 -16.8385101989504 4877034 CN1C(=O)CCC(=N1)C(=O)NC2=CC3=C(CCC3)C=C2 1 1.568 3 2 0 -20.0485743607129 4877032 CCOC(=O)C1=C(NC(=C(C1C(=O)OCC(=O)N2CCCCC2C)C(=O)OCC)C)C 1 1.256 2 7 0 -20.7466579293426 4877028 CN1C(=O)CCC(=N1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 0.665 5 4 0 -17.6666840751117 4876973 C1C(CN(C1=O)CC2=CC=CO2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 0.676 3 7 0 -18.3680646399517 4876981 CC1=CC=C(C=C1)C(=O)C(CC2=C(C=CC(=C2)C(=O)C)OC)N(C)C 1 3.825 1 3 -3.37305308293976 4877012 CCN1CCCC1CNS(=O)(=O)C2=CC(=C(C=C2)F)Cl 1 2.588 2 2 -9.14428696581689 4877009 COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=C(C(=C3)Br)OCO4)CC5=CC=CC=C5 1 3.588 4 5 0 -6.48758847701045 4877005 C1CC(C2=CC=CC=C2C1)NC(=O)COC3=CC=CC=C3C(=O)O 1 3.102 1 4 -10.0233251273457 4876990 CC(=O)C1=CC(=C(C=C1)OC)CC(C(=O)C2=CC=C(C=C2)F)N(C)C 1 3.545 1 3 -2.66117605747451 4876966 CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)NCC3=CC=C(C=C3)F 1 3.392 3 3 -13.9286573758682 4876964 CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C4N2N=CC4)C 1 4.001 5 1 -20.0389772281307 4876963 CC(C)CN1C(=O)C(=O)N(C1=O)CC(=O)NC(C)CCC2=CC=CC=C2 1 2.319 3 4 0 -14.8220894978115 4876939 CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 1.785 4 5 0 -9.70157207885855 4876915 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NS(=O)(=O)C2=CC=CC=C2F 1 2.095 2 5 0 -10.6195393079714 4876909 COC1=CC=CC=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.871 1 4 -11.5322087105785 4876898 CCC(C)NC(=O)COC(=O)C1=CSC2=C1CCCC2 1 3.04 1 3 -18.4485071894422 4876897 CC(=O)C1=CC(=C(C=C1)OC)CC(C(=O)C2=CC=C(C=C2)OC)N3CCCC3 1 3.784 1 4 -6.53221539422756 4876892 CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NCC3=CC=C(C=C3)OC 1 2.437 2 3 -15.8966395735509 4876890 CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3=C(C=C(C=C3C)C)C 1 3.905 2 2 -12.8880193706836 4876888 CN(C)C(CC1=CC=CC=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 2.227 3 3 -9.09192848466369 4876881 CCOC(=O)C1=C(N(C(=O)NC1C2=C(N(N=C2C)C3=CC=C(C=C3)C)Cl)C)C 1 3.074 4 3 0 -15.2473118287971 4876873 CN(C)C(CNC(=O)CC1=C(C=CC=C1Cl)Cl)C2=CC=CC=C2 1 4.152 2 1 -9.59376888528686 4876871 C1CCN(C(C1)C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.635 2 3 -14.0436879277134 4876863 C1=CC=C(C=C1)NC(=O)C2=CN3C=CC=CC3=N2 1 1.783 3 1 0 -7.85556102015014 4876861 CCCCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.986 4 4 0 -14.1871148778744 4876859 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=C(C=CC=C3Cl)F 1 4.213 2 3 -15.948732733046 4876858 CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.91 4 3 0 -11.3923528350006 4876853 CC12CCC(=O)N1C(CS2)C(=O)NC3=NC=CS3 1 -8.4e-002 3 2 0 -8.37926407346925 4876845 CNC(=O)NC(=O)CN1C(=O)C2(CCOC3=CC=CC=C32)NC1=O 1 -0.569 4 5 0 -8.51281071066085 4876838 C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NCC3=CC=CO3 1 3.363 1 3 -7.44291504411655 4876837 CC(C(=O)NC1CC1)SC2=NN=C(S2)NC3=CC=CC=C3OC 1 2.317 4 2 -13.8286128644257 4876833 CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3 1 2.534 3 5 0 -17.0849002144528 4876832 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NS(=O)(=O)C3=CC=C(S3)Cl 1 1.899 2 5 0 -5.53093438793568 4876822 C1C(OC2=CC=CC=C2O1)CNC(=O)CNC(=O)C3=CC=CC=C3 1 1.561 2 4 0 -14.6023874655366 4876821 COC1=CC=C(C=C1)C(=O)NCC(=O)NCC2COC3=CC=CC=C3O2 1 1.544 2 5 0 -14.051293110159 4876814 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)CC(C)C)N)C 1 1.678 4 6 0 -16.3328438868577 4876804 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=CC=CC=C4C=C3)CC 1 4.205 4 2 0.886559093959857 4876798 COC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl 1 3.611 2 3 -9.09831599879726 4876797 CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl)C 1 4.272 2 2 -1.42380090856629 4876796 C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCC4=CC=CC=C43 1 3.869 3 3 -9.03281146251233 4876785 COC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCCCC4 1 1.782 4 5 0 -24.4012587067578 4876781 CC(C(=O)NC1CC1)SC2=NN=C(O2)C3=CC=C(C=C3)OC 1 2.229 3 3 -10.1638699350342 4876778 CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 2.988 2 5 0 -7.92880416643935 4876764 C1CC(=O)N(C1=O)CC(=O)NCC23CC4CC(C2)CC(C4)C3 1 0.948 2 3 0 -13.6060462703229 4876743 CC1(CCS(=O)(=O)C1)NC(=O)CC2=CC(=C(C=C2)Cl)Cl 1 2.114 1 3 -8.26708876125673 4876732 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C 1 1.515 2 4 0 -18.5145277403888 4876727 CC1=CSC(=N1)SC(C)C(=O)NCC2CCCCC2 1 3.384 2 1 -12.5353146852477 4876722 CC(C1=CC=C(C=C1)F)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)O 1 3.334 1 4 -6.21249213607817 4876717 C1=CC(=CC(=C1)NC(=O)CCN2C=CN=C2)C#N 1 0.686 4 1 0 -5.75904099274262 4876715 C1=CC(=C(C=C1Cl)NC(=O)CCN2C=CN=C2)O 1 1.23 3 2 0 1.30316662005758 4876712 C1=CC=C2C(=C1)NC(=N2)NC(=O)CCN3C=CN=C3 1 0.864 5 1 0 -1.76437892649616 4876708 CC(CC(=O)NC1=NC2=CC=CC=C2N1)N3C=CN=C3 1 1.242 5 1 0 -6.73675487293189 4876704 CNS(=O)(=O)C1=CC2=C(C=C1)N3CCCC3C(=O)N2 1 0.306 3 3 0 -11.7724980771203 4876699 COC1=C(C=C(C=C1)NC(=O)NC2=CC=CC3=CC=CC=C32)S(=O)(=O)N 1 2.12 3 4 0 -10.9299452545707 4876697 C1CCN(CC1)CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)N5CCCC(C5)CO 1 4.227 4 1 2.68129150417127 4876694 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)NC4=CC=CC=C4F 1 2.156 4 4 0 -19.4012590540779 4876691 CCC(CO)NC1=C2C(=CSC2=NC(=N1)CN3CCCCC3)C4=CC=CC=C4 1 4.219 4 1 -1.00266100833952 4876689 CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2F)S(=O)(=O)N3CCOCC3 1 2.019 3 4 0 -18.6394777421858 4876686 CC1=CC(=CC=C1)NC(=O)NCC(C2=CC=CO2)N3CCCCC3 1 3.389 3 2 -9.80695702369477 4876683 COC1=CC=CC=C1NC(=O)NCC(C2=CC=CO2)N3CCCCC3 1 2.886 3 3 -16.3535561495082 4876678 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 4.372 3 3 -16.2313029277592 4876677 CC1=CC(=CC=C1)NC(=O)NC(C)CCC2=CC=CC=C2 1 4.17 2 1 -4.33717956836937 4876668 CC(C1=CC=CC=C1)OC(=O)CCC2=NC3=CC=CC=C3NC2=O 1 2.865 2 3 -16.4050760894535 4876657 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCC4=CC=CC=C4C3 1 3.308 3 3 -17.131915911443 4876654 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.567 3 2 -5.95270430808276 4876638 CC1=CC=CC=C1OCCC(=O)OCC(=O)NC(C)C2=CC=CC=C2 1 3.275 1 4 -13.7510087595344 4876618 CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)NC2CCCC3=CC=CC=C23)Cl 1 2.919 2 5 0 -18.8153301279627 4876599 CC1=NC2=C(C(=N1)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)N(C(=O)N2CC(C)C)C 1 3.168 5 3 0 -22.1055607839107 4876596 CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)OC(=O)C4CC(=O)N(C4)CC5=CC=CO5 1 2.753 2 7 0 -23.2072970981214 4876594 CC1=CC(=C(C=C1)Cl)OCC(=O)OCC(=O)NC2CCCC3=CC=CC=C23 1 4.33 1 4 -11.0007213813156 4876593 CC(CC(=O)OCC(=O)NCC1=CC=C(C=C1)Cl)C2=CC=CC=C2 1 3.735 1 3 -10.6418805735675 4876582 CCOC(=O)C1=C(N=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3OC)C 1 1.645 3 5 0 -13.6310103778725 4876575 CC1=C(C(=NO1)C)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.05 4 4 0 -15.5401206451063 4876573 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 1 4.512 3 3 -23.1466804696093 4876569 CC(C(=O)NC(=O)N)OC(=O)C1=CC2=C(S1)CCCCC2 1 2.596 2 4 -11.7006399710525 4876562 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3 1 2.288 1 6 0 -7.08470704111815 4876558 CC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)N3CCCCC3 1 3.582 3 1 -5.90349591190152 4876556 COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)NC(=O)C3=CC=CS3)OC 1 2.814 3 7 0 -20.8773033336895 4876554 CC1=CC=CC=C1CN(C)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.719 3 3 -13.5845128275236 4876548 CC1CCCCN1CC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F 1 4.053 2 3 -9.35439725394707 4876538 CC(C)C(C)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1C4=CC=CC=C4 1 5.142 3 3 -20.3178591991435 4876536 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=C(C4=C(S3)N=C(NC4=O)C)C 1 2.543 3 4 0 -21.8756736096907 4876524 CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)N2CCN(CC2)C3=CC=CC=N3 1 3.106 4 2 -7.63590164557927 4876517 COC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 2.349 3 5 0 -11.6929475847418 4876515 CC1=C(SC(=N1)NC(C)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 3.483 3 1 -7.31093722987183 4876507 CC(C1=CC=CC=C1)NC(=O)CN(C)CC2=CC=C(C=C2)Br 1 3.672 2 1 -6.72606558738674 4876503 C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)OCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5 1 4.193 1 5 -12.674333118081 4876492 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3 1 4.751 4 3 0 -4.14152990744974 4876481 C1OC2=C(O1)C=C(C=C2)NC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl 1 3.967 2 4 -15.1648916014902 4876480 CC(C1=CC=CC=C1OC)NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.365 2 3 -16.1977837219391 4876479 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=C(C=C(C=C4)F)F 1 3.179 4 3 0 -12.591914151349 4876475 CC(C)CN1C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 4.797 4 2 -11.7457020592801 4876435 CC1=CC=C(S1)C(=O)NCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=CC=C3OC 1 2.909 3 5 0 -15.4281355101595 4876432 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.795 3 5 0 -24.0749438209785 4876426 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)OC(F)F 1 1.754 3 5 0 -21.0963740043906 4876424 C1=CC=C(C(=C1)CNC(=O)C(CCC(=O)N)NS(=O)(=O)C2=CC=C(C=C2)Cl)Cl 1 2.271 3 4 0 -19.4295795745866 4876423 CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2C3=CC=CC=C3 1 4.345 1 1 -2.52625628549943 4876409 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NN=C(S3)NCC=C 1 2.892 4 3 0 -9.56602167571462 4876405 COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4 1 3.166 2 4 -12.4255095375675 4876403 CC(C(=O)NC1=CC=CC=C1)N(C)CCOC2=CC=C(C=C2)Br 1 3.821 2 2 -5.00151945215434 4876398 C1CS(=O)(=O)CC1NC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4 1 2.57 3 3 -19.1585909369025 4876395 CN(CC1=CC=CC=C1OC)CC(=O)NC2CCCC3=CC=CC=C23 1 3.546 2 2 -7.98163308561886 4876378 CCNC(=O)NC(=O)COC(=O)C1CSC2(N1C(=O)CC2)C 1 -0.822 3 5 0 -12.3519197218402 4876376 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)CC4=CC=CO4 1 2.186 3 3 -6.24741265310746 4876371 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)C3=CC=CN3 1 1.866 3 3 0 -5.5198937434959 4876354 CC(CC(=O)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F)N3C=CN=C3 1 1.154 5 1 0 -3.31490254540764 4876352 CCC1CCCCN1C(=O)CCN2C=CN=C2 1 1.255 3 1 0 -10.1037209265787 4876350 CC(CC(=O)NC1=CC=CC=C1)N2C=CN=C2 1 1.185 3 1 0 -8.98760784709546 4876343 CCCOC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)N(C)C)OC 1 3.475 2 3 -10.1329850487132 4876341 CC(C(=O)N1CCC(=O)CC1)NC(=O)CC2=CC=CC3=CC=CC=C32 1 1.495 2 3 0 -12.427006906913 4876339 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.075 2 4 -10.1233504511795 4876338 CN(C)C1(CCCCC1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 3.385 3 3 -12.4415734895875 4876337 CCOC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)N(C)C)OCC 1 3.3 2 3 -11.2264804663523 4876333 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 2.165 3 4 0 -26.1280385815677 4876320 CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C 1 3.249 3 3 -5.1591582234367 4876287 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Br)NS(=O)(=O)C3=CC=CS3 1 3.34 2 4 -2.97978078351535 4876283 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)CC(=O)NC2=CC=CC=C2N3CCOCC3 1 2.059 4 3 0 -6.90046640796817 4876279 C1CN(CC2=CC=CC=C21)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-] 1 2.02 3 4 0 -12.0959087545342 4876263 CC(C(=O)NC1=CC=CC(=C1)C(=O)C)N(C)CC2=CC=CC=C2OC 1 2.747 2 3 -8.069655898442 4876256 CC1=CC(=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl)C 1 4.272 2 2 -3.30030234746996 4876255 CC(C)(C)NC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)Cl 1 2.505 2 2 -20.9184764198251 4876247 CCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)N(C)C 1 2.968 2 2 -6.17339014612666 4876242 CN1C(=O)C=CC(=N1)C(=O)NC2CCCC3=CC=CC=C23 1 1.932 3 2 0 -8.06892472998594 4876239 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)N=CS4 1 3.392 3 3 -16.3165575174994 4876234 CCOC(=O)C=C1N(C(=O)C(=CC2=CC=C(C=C2)C(F)(F)F)S1)CC(=O)NCC3=CC=CO3 1 3.357 2 5 0 -9.4295948293282 4876231 COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3C(=O)C4(CCC5=CC=CC=C5C4)NC3=O 1 3.697 3 5 0 -19.0614658735918 4876230 CC1=CC(=C(N1C2=CC=CC=C2F)C)C3=NN=C(SC3)NCCCOC 1 3.451 4 1 -7.70253564029353 4876213 CC(C1=CC=CC=C1)NC(=O)CN(C)CC2=CC=CS2 1 2.664 2 1 -9.10791357127593 4876210 COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=N4)Cl 1 4.341 4 2 -7.95865113502305 4876208 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)N(C)CC(=O)NC2=CC=CC=C2Cl 1 2.481 3 3 -12.8111181492347 4876205 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC2=NN=C(CS2)C3=CC=CC=C3 1 2.841 4 2 -9.15793125302034 4876202 CC1=C(SC2=NC=NC(=C12)OCC(=O)NC(C)C(C)C)C 1 2.895 3 2 -8.13117599465448 4876197 COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)OC 1 3.865 3 4 0 -5.90730915934664 4876195 CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 1.993 3 5 0 -16.7395809870327 4876189 COC(=O)C1CCN(CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 3.402 2 3 -6.6085153710032 4876188 CC(C(=O)NC1=CC=CC(=C1)C(=O)C)N(C)CC2=C(C=CC(=C2)Br)OC 1 3.496 2 3 -6.64240231839932 4876177 CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=CC=C(C=C2)NC(=O)C 1 2.585 2 3 -8.64045641340295 4876164 CC1CC2=CC=CC=C2N1CC3=CC(=CC=C3)S(=O)(=O)N(C)C 1 3.144 2 2 -9.94818561994338 4876162 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 3.231 4 4 0 -14.8245273239541 4876138 CCNC(=O)NC(=O)C(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)Cl 1 2.653 2 5 0 -6.65579406892393 4876125 C1CS(=O)(=O)CC1NC(=O)CN2C(=O)C(=C(C=N2)Cl)Cl 1 -0.794 3 4 0 -8.91275978697974 4876119 COCCCN1C2=C(N=C1C3=CC(=CC=C3)Cl)N(C(=O)NC2=O)CC4=CC=CC=C4 1 3.798 4 3 0 -3.48083800088734 4876116 CC(C)C(C)NC(=O)CN1C(=O)C2(CCC3=CC=CC=C32)NC1=O 1 1.887 3 3 0 -7.96361587164609 4876113 CC1=CC=C(S1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 1.814 3 5 0 -16.2259550787824 4876042 COC1=C(C=C(C=C1)COCC(CN2CCC(CC2)C(=O)N)O)OC 1 0.703 2 5 0 -9.85658646431484 4876025 CS(=O)(=O)N(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C2=CC=CC=C2Cl 1 3.576 2 3 -13.4197103279868 4876022 CS(=O)(=O)N(CC(=O)NC1=C(C(=CC=C1)Cl)Cl)C2=CC=CC=C2 1 2.912 2 3 -12.8907990936364 4876014 C1=CC=C(C=C1)SCC(=O)N(C2=CC=C(C=C2)Br)C3=NC=CS3 1 4.536 2 1 -4.875026882933 4876009 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCC4=CC=CC=C4C3 1 1.441 3 3 0 -12.1090020680836 4876008 CC(C)NC(=O)NC(=O)COC(=O)CCOC1=CC=CC=C1 1 1.335 2 5 0 -15.7700073437634 4876006 CS(=O)(=O)NC1=CC=CC(=C1)C(=O)OCCCOC2=CC=C(C=C2)F 1 2.496 1 5 -7.44495198288238 4876001 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC(=CN=C2)Br 1 1.998 2 4 0 -17.6674369205545 4875987 CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC3=O 1 2.414 3 3 -22.2284168937472 4875984 COC(=O)C1=CC=C(O1)COC(=O)C2=CC=C(C=C2)CO 1 1.993 0 6 0 -7.10432941559862 4875983 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=C(C=C3)OC)OC 1 2.934 5 4 0 -10.7943369078165 4875974 CC(C)C(C)NC(=O)CN1C(=O)C2(CCCC3=CC=CC=C32)NC1=O 1 2.343 3 3 -7.06046754047495 4875945 CC(C)C(C)NC(=O)COC1=NC=NC2=CC=CC=C21 1 2.54 3 2 -4.43086591943664 4875941 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC3=C(N=CC=C3)[N+](=O)[O-])C 1 1.541 4 5 0 -13.3609989903128 4875937 CC(C)C(C)NC(=O)COC1=C2C=CSC2=NC=N1 1 2.263 3 2 -9.49100279691281 4875922 CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC(C)C(C)C)C 1 3.453 3 1 -14.1868843062017 4875912 CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC2CCCCC2)[N+](=O)[O-] 1 2.046 4 5 0 -17.213381044289 4875908 CCOC(=O)C=C1N(C(=O)C(=CC2=CC3=C(C=C2)C=C(C=C3)OC)S1)CC(=O)NCC4CCCO4 1 2.901 2 6 0 -13.726499387954 4875900 CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.64 4 5 0 -8.44448684835109 4875890 C1CC2=CC=CC=C2N(C1)CC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-] 1 3.259 3 3 -14.0264417826859 4875876 CC1=NC(=C(C=C1)OCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-] 1 1.486 4 5 0 -13.0296293096952 4875874 CC(C)C(C)NC(=O)CN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 2.94 3 3 -9.30860775286114 4875864 CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)CC3CC4CCC3C4 1 3.039 2 4 -5.79766023798745 4875858 CC(C)C(C)NC(=O)CN1C(=O)C(NC1=O)(C)C2=CC3=CC=CC=C3C=C2 1 2.613 3 3 -6.20832246044013 4875852 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=C(C=CC=C2Cl)Cl)C 1 3.947 2 4 -6.49997030048232 4875841 C1CN(C2=CC=CC=C21)C(=O)CCNC(=O)C3=CC=CO3 1 1.598 2 3 0 -16.0807133975095 4875840 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=C(C=C2)OC)C3=CC(=CC=C3)Br 1 2.451 3 4 0 -10.4304010183578 4875837 CN(C1CCCCC1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CC=C3 1 3.601 2 4 -19.4730715929597 4875810 CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC=CC=C2C(=O)N(C)CC3=CC=CC=C3 1 4.338 1 5 -13.4608181162373 4875807 COC1=CC(=CC(=C1OC)OC)CC(=O)NCC2=CC=CC=N2 1 1.671 2 4 0 -14.8432704069835 4875802 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(O3)Br)C 1 2.763 2 4 -15.0420140337743 4875796 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CC3=CC=C(C=C3)OC 1 3.07 3 4 0 -16.2953733860499 4875784 CCCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)N(C)C 1 3.491 2 2 -5.71840136211343 4875779 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC)C(=O)N3CCCCCC3 1 3.78 2 4 -17.8626191443573 4875758 CC(C)C(C)NC(=O)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC 1 3.855 4 2 -7.44975191975546 4875747 CC1(C(=O)N(C(=O)N1)CC(=O)NC2CCCC2)C3=CC(=C(C=C3)OC)OC 1 1.505 3 5 0 -13.6301318705451 4875743 CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3 1 3.312 2 4 -12.4621458674486 4875727 COC1=C(C=C(C=C1)NC(=O)CC2=CNC3=CC=CC=C32)S(=O)(=O)N4CCCCC4 1 2.96 3 4 0 -19.6445353791596 4875726 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)NC(=O)C4=CC=CO4 1 2.186 3 5 0 -9.89413877661923 4875722 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC4=C(CCC4)C=C3 1 2.667 3 3 -10.9670750067048 4875719 CN1C2=CC=CC=C2C(=O)N=C1CCC(=O)OCC(=O)NCC3=CC=CC=C3Cl 1 2.413 3 4 0 -15.2720615892347 4875718 CC1=CC(=C(N1C)C)C(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 1.82 3 3 0 -7.24406928081203 4875708 CC1=CC(=C(C=C1)C)SCC(=O)NC2=CN=C(C=C2)OC 1 3.352 2 2 -9.2891864671086 4875707 CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2F)C3=CNC4=CC=CC=C43 1 4.955 3 1 -10.1070766202258 4875701 CCC1=NC2=CC=CC=C2C(=C1C)C(=O)NCC3=CC=C(C=C3)OC 1 4.227 2 2 -6.84448675588851 4875700 CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC(C2=CC=CO2)N(C)C 1 2.134 4 4 0 -11.7728737280433 4875698 CC(C)C(C)NC(=O)CN1C(=O)C2(CCCCCC2)NC1=O 1 2.058 3 3 -9.43036988895223 4875697 CC(C)C(C)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])Cl 1 3.001 2 4 -7.97743391112034 4875635 CC1=NN(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3 1 2.934 3 3 -5.20151810701072 4875636 C1COCCN1C2=CC(=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)F)N4CCOCC4 1 2.92 3 3 -9.06532848346363 4875638 CNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3 1 2.273 2 4 -10.6388909407377 4875640 CC(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1O 1 1.009 2 5 0 -12.2984399032048 4875690 C1CSC(=N1)NC(=O)C2=CC=CC=C2OCC3=CC=CC=C3Cl 1 4.334 2 2 -11.9163148680196 4875686 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CC2=CC(=CC=C2)F 1 2.111 4 3 0 -8.43047493280497 4875681 CCOC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NN=C(S3)C)OC 1 3.601 3 2 -11.5016740150353 4875671 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2 1 1.46 2 5 0 -22.84306464378 4875670 C1CN(CC(=O)N1)CC(=O)NC2=CC=C(C=C2)SC(F)F 1 1.198 3 2 0 -17.5122366620898 4875633 COC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)CC2)S(=O)(=O)N3CCCCC3 1 0.323 4 5 0 -29.7976185513156 4875632 CC1=CC=NC2=NC(=NN12)C(=O)NC3=CN=C(C=C3)OC 1 0.781 6 2 0 -12.5480391386581 4875631 C1=CC=C(C(=C1)CC(=O)NC2=CN=CC=C2)Cl 1 2.163 2 1 -5.54309386003628 4875621 C1COC(=O)C1NC(=O)CCCC2=NC3=CC=CC=C3S2 1 1.777 2 3 0 -10.7191017962986 4875603 CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-] 1 4.851 3 6 0 -7.45041479795611 4875598 CCOC(=O)C=C1N(C(=O)C(=CC2=CC=C(C=C2)C#N)S1)CC(=O)NCC3=CC=CO3 1 2.294 3 5 0 -15.6511008663312 4875581 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCC3=CNC4=CC=CC=C43 1 3.63 2 3 -15.7847314875991 4875570 CC1(CC1(Cl)Cl)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2 1 1.856 2 4 0 -7.53585988180626 4875561 CC1CN(CC(O1)C)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br 1 2.041 3 4 0 -12.4549991669131 4875555 CN(CC1=CC(=CC=C1)F)CC(COCC2=CC=CC=C2Cl)O 1 3.715 1 2 3.50731563573602 4875553 CC1CC2=CC=CC=C2N1C(=O)CN3C(=O)C(=O)N(C3=O)CC4=CC=CC=C4 1 2.207 3 4 0 -11.1365721469747 4875539 COC1=CC=C(C=C1)CNC(=O)CC23CC4CC(C2)CC(C4)C3 1 3.531 1 2 -9.16800494177551 4875527 CC1=CC(=C(N1CC(F)(F)F)C)C(=O)COC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3 1 3.013 3 4 0 -18.2612264586012 4875521 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 1.311 4 4 0 -18.3432838615576 4875518 CCCN(CC1CC1)C2=C(C3=CC(=NC(=C3C(=N2)N)N)OC)C#N 1 2.817 6 1 0 -8.89057974370071 4875512 CN(C1CCCCC1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCC=C 1 2.634 2 4 -20.7118803634629 4875495 C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3N2)[N+](=O)[O-] 1 2.566 4 3 0 -6.11568674049155 4875494 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=CS3)N(C)C 1 3.609 3 3 -8.62455621325343 4875488 CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)N2CCC3=CC=CC=C32 1 3.835 2 2 -10.7104710134472 4875479 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CSC4=NC(=CC(=N4)N)N 1 2.911 6 2 0 -14.7877169528712 4875474 CCOC(=O)C(C1=CC=CC=C1)SC2=NNC(=N2)N 1 2.222 4 2 -6.77131824846263 4875472 C=CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCC3)C#N)C4COC5=CC=CC=C5O4 1 4.026 5 3 0 -28.5605939235648 4875468 CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 3.388 2 4 -10.0123256699082 4875437 CN1C(=NN=N1)SCC(=O)NC2CCCC3=CC=CC=C23 1 1.882 5 1 0 -22.2561974594395 4875432 C1C(OC(=O)C2=CC=CC=C21)C(=O)NCC3=CC=CC=C3 1 2.538 1 3 -9.13233529010471 4875429 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3Cl)N 1 1.377 4 6 0 -22.3320213647595 4875422 CC1=CC(=C(N1C2=CC=CC=C2)C)C3=NN=C(SC3)NCCCOC 1 3.246 4 1 -7.59701758083359 4875421 CC1=CC=C(C=C1)C(=O)C(C)N2C(=O)C(NC2=O)(C)C3=CC=CC=C3 1 3.302 2 3 -6.14751935526519 4875371 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=C(C4=C(S3)CCC4)C(=O)N 1 1.645 4 4 0 -15.1973246003831 4875370 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=C(C=C4)Cl 1 4.444 4 3 0 -17.410237610472 4875364 COC(=O)C1=CC=CC=C1CC2C(=O)N=C(S2)N 1 1.995 2 3 0 -9.08284834086541 4875356 C1CN(CCC1C(=O)OCC(=O)NC(=O)C2=CC=C(C=C2)OC(F)F)S(=O)(=O)C3=CC=CC=C3 1 2.588 2 7 0 -19.4038473906541 4875354 CC(C(=O)NC1=CC=CC(=C1)C(=O)C)N(C)CC(=O)NC2=CC=C(C=C2)Cl 1 2.481 3 3 -9.84606512239842 4875333 CCN1C2=CC=CC=C2C3=NC4=C(C=CC(=C4)C(=O)O)N=C31 1 3.599 3 2 -4.04413252547549 4875326 CC1=C(C=C(O1)CSC2=NC3=CC=CC=C3C(=O)N2C(C)COC)C(=O)OC 1 3.249 2 5 0 -20.3606737786274 4875319 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3CCCC4=CC=CC=C34)C 1 3.535 3 3 -16.1238660290635 4875314 C1CC2=C(C1)C=C(C=C2)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-] 1 2.789 3 4 0 -10.7175778668531 4875313 CC1=NC(=C(C=C1)OCC(=O)NC2=CC3=C(CCC3)C=C2)[N+](=O)[O-] 1 3.072 3 4 0 -11.4438129422451 4875306 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=NN=CN3C4=CC=CC=C4 1 3.719 4 1 -14.7274264511543 4875305 CC(C)CC1C(=O)N(C(=O)N1)CC2=NC3=CC=CC=C3S2 1 2.622 3 2 -5.65240742949813 4875302 CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2CCCC3=CC=CC=C23 1 3.101 3 2 -9.57183572065655 4875294 CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-] 1 1.378 5 3 0 -2.0067869018544 4875293 C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C(=O)C5=CC=CC=C5S4 1 2.784 2 2 -5.45831350303689 4875289 CCC1=NC2=CC=CC=C2N1CC(=O)NC3=NOC(=C3)C 1 2.254 4 2 -13.9207671001225 4875281 CC1(OCC(O1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)C 1 0.487 1 6 0 -10.5704629142743 4875268 C1CN(CCN1CC(C2=CC=CC=C2)O)S(=O)(=O)C3=CC=CC=C3F 1 2.182 2 3 -15.1078522704934 4875260 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC(=C3)C#N 1 3.187 3 3 -16.008202868381 4875256 CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2Br)C3=CNC4=CC=CC=C43 1 5.498 3 1 -7.99601950803527 4875255 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=O)NC4=CC=CC=C43 1 2.15 4 4 0 -8.95520809608196 4875250 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCC3=CNC4=CC=CC=C43 1 2.187 3 5 0 -27.0259950164476 4875248 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)C)NC(=O)CC(C2=CC=CC=C2)NC(=O)C 1 1.847 4 4 0 -25.455028739968 4875246 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4 1 2.79 3 4 0 -15.0760609631442 4875241 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C(=O)C4CCCCC4C3=O 1 2.457 3 5 0 -19.4979948453019 4875234 COC1=C(C=C(C=C1)CN2C(=O)C3(CCCCC3)NC2=O)F 1 2.746 2 3 -2.01078282946243 4875224 CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=NCCS2 1 3.972 2 1 -8.98875951170375 4875210 C1CC(CN(C1)CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O)O 1 2.824 1 3 -6.35800334452228 4875208 CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3CC3 1 3.466 1 4 -21.2779082546976 4875205 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC3=CC=CC=C32)C 1 3.488 3 3 -20.4714646554514 4875183 C1=CC=C(C=C1)C(CC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N)NC(=O)C3=CC=CC=C3Cl 1 2.908 3 5 0 -18.4489635561116 4875182 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CN=C(C=C3)Cl)Cl 1 3.489 3 3 -10.0175264563092 4875171 C1CC(=O)NN=C1C(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3 1 1.866 3 3 0 -14.0396523421693 4875162 C1=CC=C(C(=C1)[N+](=O)[O-])OC2=C(C=CC=N2)[N+](=O)[O-] 1 2.567 3 5 0 -4.67671637415561 4875138 CCOC(=O)CCCNC(=O)CN1C(=O)C(NC1=O)(C)C2=CC3=CC=CC=C3C=C2 1 1.669 3 5 0 -19.0125929111727 4875135 CN(CC(=O)NC1=CC=C(C=C1)Cl)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-] 1 3.221 4 5 0 -18.2635558036829 4875117 CC1CCCCN1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C 1 4.378 1 2 -4.5853729478925 4875112 CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)F)C3=CNC4=CC=CC=C43 1 4.955 3 1 -7.2647431558173 4875108 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC(=C(C(=C3)OC)OC)OC 1 3.298 2 5 0 -7.32783159454131 4875106 CC(=O)N1CCN(CC1)C(=O)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 1.08 3 4 0 -12.4845415866895 4875105 CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)O 1 4.131 1 5 -16.0141080621209 4875072 CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4CNC(=O)O4 1 4.818 4 2 -2.91811043697 4875068 CC1CN(CC(O1)C)C(=O)COC2=NC=NC3=CC=CC=C32 1 1.619 3 3 0 -8.15156397434176 4875066 CC1CCC2=C(C1)SC3=NC(=NC(=C23)NCC4=CN=CC=C4)C 1 3.483 4 0 -10.8720211889608 4875045 COC1=C(C=C(C=C1)NC(=O)CC2=CNC3=CC=CC=C32)S(=O)(=O)N4CCOCC4 1 1.731 3 5 0 -21.6027181006093 4875040 CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)C3=CNC4=CC=CC=C43 1 4.749 3 1 -8.9406807458043 4875039 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl 1 2.572 3 5 0 -15.9259622400641 4875036 COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3CCCC4=CC=CC=C34 1 3.702 4 2 -14.3054871526984 4874977 CCOCC(=O)OCC(=O)NC1=CC(=C(C=C1C)[N+](=O)[O-])OC 1 1.107 2 7 0 -16.1810627556613 4875016 CCOC(=O)CCCNC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1CC=C 1 3.238 3 5 0 -35.0827445878579 4875011 C1CCCN(CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br 1 2.972 3 3 -7.6786999870624 4875001 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCC4=CC=CC=C43 1 2.499 2 3 -17.5631989157188 4874952 CC1=CC(=CC=C1)OCCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 3.704 2 4 -16.9729666885331 4874951 CC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O)S(=O)(=O)NC4=CC=CC=C4OC 1 3.602 2 6 0 -17.2314185420223 4874926 CCOC(=O)C1=C(NC(=C(C1C(=O)OCC(=O)N(C)C)C(=O)OCC)C)C 1 -3.9e-002 2 7 0 -17.6314131240261 4874920 CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3 1 4.373 1 4 -18.9826612028177 4874882 CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=C(C=C2)C)O 1 2.299 1 4 -4.88682400698855 4874869 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)NC4=CC=CC=C4Cl 1 3.106 4 5 0 -10.6594335965282 4874852 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl)C 1 2.887 3 4 0 -22.1977877041143 4874845 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 3.237 2 5 0 -21.4609611804211 4874829 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl 1 4.752 3 1 -7.24234035667084 4874826 CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(OC(=C3)C)C 1 3.767 1 5 -20.7290175451501 4874818 CCCN1C(=O)NN=C1SCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3 1 3.401 4 2 -18.8042804445872 4874619 COCCCN1C(C(=O)N(C1=O)C2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)F 1 1.985 3 4 0 -16.0649786074819 4874235 CC1=C2C(=NN=C(C2=C(N1C3=CC(=C(C=C3)Cl)N)C)C)C 1 2.77 4 0 0.904215407729613 4874234 CC1=C2C(=NN=C(C2=C(N1C3=CC=CC=C3)C)C)C 1 2.852 3 0 -0.515194888052774 4874044 CCN(CC)C1=NC(=NC(=N1)NCC(=O)OCC)OC2=NN(C(=O)C=C2)C 1 0.991 7 4 0 -13.299846500398 4873970 CC1CC2=C(C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)C)C(=O)C1 1 1.453 4 3 0 -7.58393780422631 4873969 CC1=NC(=NC2=C1C(=O)CCC2)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.202 4 3 0 -9.24063545955051 4873967 C1CC2=NC(=NC=C2C(=O)C1)N3CCN(CC3)C(=O)C4=CC=CO4 1 0.919 4 3 0 -4.71663586494366 4873783 COCC1=CC(=O)N=C(N1)N2CCN(CC2)C(=O)C3=CC=CO3 1 -0.235 4 4 0 -12.456286739601 4873778 CC1=CC(=O)N=C(N1)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.244 4 3 0 -13.3769560539854 4873776 CC1=CC(=O)N=C(N1)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 2.262 4 1 -5.82336980010011 4872830 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)O 1 2.254 2 6 0 -18.0407896072918 4872626 CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=NC=C3)CC4=CC=C(C=C4)Cl 1 2.314 7 2 0 -6.9229235356792 4872401 CC1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=CC(=C3)C)N)[N+](=O)[O-] 1 3.528 6 2 0 1.06244905389207 4872337 C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN 1 0.562 7 2 0 -2.77529024327434 4872315 CCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 0.549 5 5 0 -34.1049677491221 4872167 CCCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NOC(=C3)C)O)C(=O)C4=CC=C(O4)C 1 4.41 2 6 0 -18.6867243361668 4872054 CC1CN(CC(O1)C)C2=C(C(=NC(=N2)NC3=CC=CC(=C3)C)N)[N+](=O)[O-] 1 2.802 6 3 0 -2.0104580580665 4871947 CN1C(=O)C(C(=O)N(C1=O)C)C2C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)[N+](=O)[O-] 1 1.598 4 6 0 -10.1023442626562 4871853 C1CC(CN(C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCC4=CC=CC=C4C3 1 3.477 3 3 -5.30339255404168 4871776 CCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F 1 1.711 5 3 0 -16.8998667104894 4871598 CCOC(=O)C1CCCN(C1)C2=CC=C(C3=NON=C23)[N+](=O)[O-] 1 2.267 4 5 0 -7.58830947167281 4871560 CC1C2=CC=C(N2CCN1C(=O)C3=CC=C(C=C3)C)C 1 3.139 2 1 -11.7773348496573 4871547 CSC1=NC(=O)C2=C(N1)NC(=O)CC2C3=CC=C(C=C3)C(F)(F)F 1 2.768 3 2 -6.57596981666197 4871484 C1C2C(CS1(=O)=O)SC(=NC(=O)CCC3=CC=CC=C3)N2CC4=CC=C(C=C4)F 1 4.062 2 3 -9.73087143404881 4871448 CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NCCCN3CCCC3=O 1 2.504 2 5 0 -23.5716549685469 4871439 CC1(CC(CC(N1)(C)C)NC(=O)COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3)C 1 2.66 2 4 -21.7490446726313 4871428 C1CC1C(=O)N=C2N(C3CS(=O)(=O)CC3S2)CCC4=CC=CC=C4 1 2.78 2 3 -12.4706150753241 4871418 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(C=C3C2)OCCCO4 1 1.573 2 5 0 -21.2051040826334 4871402 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=NNC(=C3)C)C 1 2.337 7 1 0 -15.2116895791808 4871376 C1C2C3C(C1C4C2C(=O)N(C4=O)CC(=O)O)SC5=C(C3C6=CC=C(C=C6)Cl)SC(=O)N5 1 2.333 2 5 0 -10.6694280989394 4871357 C1=CC=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.01 3 3 -10.7783223153219 4871353 CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OC(C)C(=O)NCCN4CCOCC4 1 2.79 2 5 0 -14.6934268290586 4871310 COC(=O)C1=CC=CC=C1NC(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2 1 3.805 4 4 0 -33.7640870888109 4871289 CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 1.601 2 5 0 -13.8126344075245 4871174 CCOC1=CC(=C(C=C1)N)SSC2=C(C=CC(=C2)OCC)N 1 3.71 2 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CCCC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCC4=CC=CC=N4)(C)C 1 4.047 2 5 0 -16.6704583740295 4868992 CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCC4=CC=CC=C4OC)(C)C 1 4.053 1 6 0 -17.2619951389695 4868943 CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCC4=CC=CC=C4)(C)C 1 4.07 1 5 -15.7955093960697 4868938 CC1=C(C(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCC4=CC=CO4)(C)C)C 1 3.698 1 6 0 -16.20954231578 4868928 CCCC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCCCN4C=CN=C4)(C)C 1 3.203 3 5 0 -13.4314012501876 4868904 CN(CC(=O)NC1=CC(=CC=C1)F)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N 1 0.503 4 4 0 -9.46489681477359 4868892 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCCCO)C)C3=C1C(=C(O3)C)C 1 2.493 1 5 -10.3336837214453 4868874 CC1=C(C(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCC(C)C)(C)C)C 1 4.124 1 5 -14.8697419444811 4868872 CC1=CSC(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4 1 0.942 4 5 0 -29.1188738732189 4868864 CC(C(=O)NC1=CC2=CC=CC=C2C=C1)NCC3=CC(=C(C=C3)OC)OC 1 3.363 2 3 -5.6446247447562 4868856 CC1=C(C(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCC(C4=CC=CC=C4)O)(C)C)C 1 4.005 1 6 0 -13.1512703525334 4868839 CC1=C(C(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCCN4CCOCC4)(C)C)C 1 2.759 2 6 0 -16.531981861442 4868821 CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C 1 3.794 2 3 -8.06931872865807 4868816 CCN(CC(=O)NC1CCS(=O)(=O)C1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 0.855 5 3 0 -12.3980607432779 4868810 CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=CN3CCCOC)C(=O)C 1 1.234 5 3 0 -22.8004501589428 4868796 CC1=C(C(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCCCOC)(C)C)C 1 2.864 1 6 0 -17.9101702776717 4868790 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=CC=CC=C3C(=O)N)C 1 2.414 2 5 0 -12.5561277979324 4868788 CCC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCCCN4C=CN=C4)(C)C 1 2.746 3 5 0 -13.9833738673285 4868747 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3 1 1.268 3 5 0 -11.5284704763641 4868739 C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O 1 3.637 3 3 -19.1854498762217 4868648 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl)C3CC3 1 0.73 4 5 0 -13.6180805607874 4868616 CC(=C(C#N)C#N)NC1=CN=CC=C1 1 0.72 4 0 0 -4.15542449166258 4868611 CCOC(=O)C(=CNC1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)NC3=CC=CC=C3OC)C(=O)OCC 1 3.558 3 7 0 -6.56015801864382 4868500 CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCCCN4CCOCC4)C 1 2.684 2 5 0 -19.1852367615169 4868486 CCOC(=O)C=C1N(C(=O)C(=CC2=CC3=C(C=C2)C=C(C=C3)OC)S1)CC(=O)NCC4=CC5=C(C=C4)OCO5 1 3.893 2 7 0 -10.9786681967809 4868475 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN(C)C3CCS(=O)(=O)C3 1 -0.245 3 6 0 -33.781436078776 4868446 CN1C(=NN=C1SCC(=O)NC2CCS(=O)(=O)C2)C3=CC(=CC=C3)OC 1 0.959 4 4 0 -18.8293389699871 4868438 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 1.374 2 6 0 -23.4102249396636 4868418 CC(CC1=CC=CS1)NCC2=CC=CC=C2 1 3.316 1 0 -1.4781556628754 4868416 CC(CC1=CC=CS1)NCC2=CC=C(C=C2)Cl 1 3.981 1 0 1.2560521590158 4868415 CC(CC1=CC=CS1)NCC2=CC=C(C=C2)OC 1 3.3 1 1 -0.97891274071516 4868411 C1CN(CCC1C(=O)O)C2=CC=CC=C2[N+](=O)[O-] 1 1.988 2 4 0 -3.17275927480599 4868392 CC(C(=O)C1=CNC2=CC=CC=C21)Cl 1 2.88 1 1 1.02493000624165 4868391 C1=CC=C(C=C1)CN2C(=CNC2=S)C3=CC=C(C=C3)Cl 1 4.411 2 0 3.03256220713449 4868383 C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NCC(=O)O 1 1.735 1 4 0 -12.6161111849778 4868381 C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NCCC(=O)O 1 1.984 1 4 0 -13.6217168088905 4868379 CCCN1C2=C(C=C(C=C2)Cl)NC1=S 1 4.427 2 0 0.246335323117003 4868373 CC1=CC(=C(N1C2=NOC=C2)C)C(=O)CCl 1 2.262 2 2 -5.78855185440481 4868369 CCN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N 1 0.964 3 1 0 -4.94751792900916 4868368 CCC(C1=CC=C(C=C1)C)NC(=O)CCl 1 2.877 1 1 -7.13629535016837 4868363 C1CN(CCN1)S(=O)(=O)C2=CC=C(S2)Br 1 0.722 2 2 0 -12.7104719592104 4868361 C1=CC=C(C=C1)NC(=O)NN(C2=CC=CC=C2)C(=O)CCl 1 2.43 3 2 -11.1457303310552 4868360 C1=CC=C2C(=C1)N=C(S2)C3=CN=C(C=C3)N 1 2.48 3 0 7.3203092585531 4868358 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)O)[N+](=O)[O-] 1 2.022 3 6 0 -15.6966148068625 4868345 CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N 1 1.585 4 2 0 -11.9710564070904 4868340 CN(CC1=CC=C(C=C1)OC)C(=O)CCl 1 1.679 1 2 0 -6.54989230738362 4867929 CC1=CC=C(C=C1)CONC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.848 2 4 -3.09165006764535 4867896 CCOC1=C(C=CC(=C1)C2=NNC(=S)N2CC3=CC=CC=C3)OC(F)F 1 4.823 3 2 -3.54634735879823 4865337 CC1=CC=C(C=C1)C(=O)NC2=NN(C=C2)C 1 2.289 3 1 -5.0287257408759 4884715 C1CCN(CC1)C(CNC(=O)CC2=CC(=CC=C2)C(F)(F)F)C3=CC=CO3 1 3.971 2 2 -11.4845757988135 4884704 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NCCC3=CC=CC=N3 1 2.163 3 3 -16.0787127947018 4884703 CC(CC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.867 2 2 -8.8793477491605 4884702 CN(C)C(CNC(=O)C1=CC=CC(=C1)C#N)C2=CC=CO2 1 1.956 3 2 0 -10.0030364178357 4884636 CC1=C(C=C(C=C1)NC2=C3C=CSC3=NC=N2)S(=O)(=O)NC 1 2.598 4 2 -5.74829602435148 4884632 CC1=CC(=NC2=CC=CC=C12)N3CCN(CC3)C4=CC=C(C=C4)OC 1 4.196 3 1 6.79727999839659 4884619 CCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NCC(=O)NC2=CC=CC=C2Cl 1 2.214 4 3 0 -15.3013611593755 4884618 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NCC(=O)NC2=CC(=C(C=C2)C#N)Cl 1 3.119 4 3 0 -18.3009548397818 4884602 CCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NCC(=O)NC2=CC(=C(C=C2)F)Cl 1 2.419 4 3 0 -13.7558038227431 4884600 CSCCC(C(=O)NCC1=CC=C(C=C1)F)NC(=O)C2=CC=CO2 1 2.093 2 3 -18.3339035434991 4884599 CCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NCC(=O)NC2=C(C=C(C=C2)Br)F 1 2.503 4 3 0 -13.3008490297542 4884598 CCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NCC(=O)NC2=C(C=CC=C2F)F 1 1.96 4 3 0 -15.5787332152839 4884596 CC1CC2=CC=CC=C2N1C(=O)CNC3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 2.511 3 3 -21.0959069340911 4884591 CN(C)C(CNC1=NC(=NC2=CC=CC=C21)C3=CN=CC=C3)C4=CC=C(C=C4)OC 1 3.467 5 1 5.9002212711949 4884585 CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)N3C=CN=C3)Cl 1 3.27 3 2 -4.36721447765364 4884572 CCOC(=O)C=C1N(C(=O)C(=CC2=CC=C(C=C2)C)S1)CC(=O)NCC3=CC=CO3 1 2.901 2 5 0 -13.0253617166605 4884565 CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)CC(C2=CC=CC=C2)NC(=O)C 1 3.583 2 2 -9.57327153951931 4884563 COC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)N2CCCCCC2 1 2.472 2 3 -20.4436089156522 4884562 CN(C)C(CNC(=O)C1=CC=CS1)C2=CC=CO2 1 2.03 2 2 -8.63821854741989 4884556 CC(C1=NC2=CC=CC=C2N1CC(=O)N3CCN(CC3)C4=CC=CC=C4)O 1 2.519 4 2 -6.81934988606544 4884553 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CCC2=CC(=C(C=C2)OC)OC 1 2.189 2 5 0 -18.3253948316272 4884550 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CC3CC4CCC3C4 1 3.35 5 2 0 -0.866882852708678 4884539 CC(C1=CC(=CC=C1)Cl)NC(=O)CNC(=O)C2CCCCC2 1 3.185 2 2 -10.1368954621263 4884537 CN(C)C(CNC(=O)C1=C(C=CC(=C1)Cl)OC)C2=CC=CO2 1 2.725 2 3 -6.38002680466282 4884532 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CSC4=NC5=NC=C(C=C5N4)Cl 1 3.848 5 3 0 -12.3190902579448 4884529 C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCC(CC3)C(=O)N 1 0.269 4 3 0 -11.2704481529932 4884523 CCOC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)C)OCC(=O)N3CCCCC3 1 2.853 2 5 0 -18.5221693383311 4884521 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3N4CCOCC4 1 1.779 4 4 0 -10.3577780288923 4884508 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)NCCC3=CNC4=CC=CC=C43)(C)C 1 2.941 4 3 0 -19.0302904383592 4884507 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)NC3=NS(=O)(=O)C4=CC=CC=C43 1 1.515 3 5 0 -13.9396832259376 4884506 C1OC2=C(O1)C=C(C=C2)CNC(=O)CC(C3=CC=CC=C3Cl)NC(=O)N 1 2.1 3 4 0 -15.4241749463634 4884505 CSCCC(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CO3 1 1.656 2 5 0 -20.7410345061894 4884496 CC(C(=O)NCC1CCCCC1)N2CCC3=CC=CC=C3C2 1 3.711 2 1 -12.2689893084465 4884489 CC(C)C(C)NC(=O)COC1=CC=C(C=C1)NC(=O)C 1 1.563 2 3 0 -10.4779280870733 4884487 CCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NCC(=O)NC2=CC=CC=C2F 1 1.755 4 3 0 -16.5568765778154 4884480 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)N3CCN(CC3)C4=NC=CC=N4 1 -0.104 5 3 0 -7.05800404439602 4884460 COC1=CC=C(C=C1)CC(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.686 2 5 0 -11.1579656226085 4884451 CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)COC2=CC=C(C=C2)C3=NN=CO3 1 3.462 3 3 -5.10186745409851 4884443 CC(C(=O)N(C)CC1=CC=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.266 3 2 -3.57692599894853 4884442 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C4=NC(=C(S4)CC(=O)O)C5=CC=CC=C5 1 4.716 3 4 0 -6.62483842682549 4884436 CC1=CC(=CC=C1)N2C(=O)CCC(=N2)C(=O)N3CC(=O)NC4=CC=CC=C43 1 1.587 4 3 0 -18.1619189957478 4884419 C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)C5=CN=C(C=C5)Cl 1 3.668 3 1 -1.67189905322927 4884412 C1CC2CC1CC2CC(=O)NCCC3=CC=C(C=C3)Cl 1 3.99 1 1 -2.88016297728206 4884406 CC(=O)NC(CC(=O)N(C)CC1=C(C=CC=C1Cl)F)C2=CC=CC=C2 1 2.953 2 2 -13.268244268113 4884404 CC1CC1C(=O)N(C)CC(=O)NC2=C(C=CC=C2C)C 1 2.198 2 2 -10.7215195001768 4884397 C1C(=NN=C(S1)NCC2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 4.395 3 0 -0.517792866218969 4884393 C1COC(=O)C1NC(=O)CCC2=NC3=CC=CC=C3S2 1 1.321 2 3 0 -11.4406321293003 4884390 CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.748 2 2 -8.73817040992401 4884388 C1COC(=O)C1SC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl 1 4.606 2 2 -2.6854387370863 4884386 COC1=CC=C(C=C1)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl 1 4.455 3 1 6.99988899852566 4884384 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COC1=CC=C(C=C1)C2=NOC(C2)CNC(=S)N3CCOCC3 1 2.322 3 3 -13.2828154167858 4860275 CCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CCN3CCCCC3)C 1 2.77 4 1 -1.24653976311321 4860264 CCOC(=O)N1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N 1 1.308 7 3 0 -3.13295512272616 4860237 COC1=CC=CC(=C1OCC2=CC=CC=C2F)C3NC(=O)C4=CC=CC=C4O3 1 4.379 1 4 -4.18449543622738 4860224 CN1CCN(CC1)C2=NC=C3C(=N2)CC(CC3=O)C4=CC=CC=C4F 1 2.089 4 1 -2.58334654573139 4860216 CCC(C)NC1=C2CCCC2=NC3=C(C(=NN31)C)C4=CC=CC=C4 1 4.565 4 0 -6.55875454447136 4860210 C1COCC2=NC3=C(N21)C=CC(=C3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-] 1 1.881 4 5 0 -8.05159610459158 4860198 CS(=O)(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC4=CC=CC=C4N=C3Cl 1 2.674 4 3 0 -6.15068706260039 4860171 CN1C(C2(CC3=C1C=CC(=C3)[N+](=O)[O-])C(=O)NC(=O)N(C2=O)C4=CC=CC=C4)C5=CC=CC=C5 1 4.039 4 5 0 -4.52141941771192 4860169 CC(C)(C)N1CC(CC1=O)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl 1 4.35 3 1 -5.88028142991368 4860135 C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=CC=C5)Cl)CC(=O)O 1 2.616 3 3 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C1=C(OC(=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.79 4 7 0 -7.15482523954878 4858075 CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C=CC(=N2)C(F)(F)F)Cl 1 3.344 3 3 -9.80404495008503 4858051 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C4=CC=CC=C4OC3=O)C 1 2.368 3 5 0 -15.2822937553 4858043 CC1(C(=O)N(C(=O)N1)CC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)C 1 0.206 5 7 0 -17.6103010529692 4858009 COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N2)[N+](=O)[O-] 1 2.421 4 5 0 -7.50993790584482 4858003 CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)OC(C)C(=O)NC(=O)N 1 1.969 4 5 0 -7.99049614477107 4857982 CC1=CC=C(C=C1)OCCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4 1 2.16 3 6 0 -21.7048657520635 4857981 CC1=C(C=CC(=C1)OCCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4)Cl 1 2.824 3 6 0 -20.8733568638944 4857924 CCOC1=CC=CC=C1NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 3.24 2 3 -17.0658880926341 4857923 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.511 3 4 0 -21.403509829365 4857906 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4857726 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)S(=O)(=O)N4CCOCC4 1 0.998 4 6 0 -24.1981800941643 4857720 CC(=O)N1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 -0.529 3 4 0 -13.6787929557214 4857708 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.528 4 4 0 -19.2600989640152 4857695 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)OC 1 3.154 2 6 0 -18.8680857284022 4857689 C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=C3Br 1 5.152 1 1 -4.1434149037507 4857685 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl)C 1 2.32 2 6 0 -20.4707213078689 4857682 CN(C(=O)COC(=O)C1COC2=CC=CC=C2O1)C3(CCCCC3)C#N 1 2.382 2 5 0 -6.98366819105908 4857661 CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSC2=NN=C(N2C)C3=CC=CO3)N 1 0.555 7 5 0 -17.6295293823871 4857607 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C(=O)NC(=O)NC2CCCCC2)C 1 2.602 3 6 0 -15.7456849989748 4857553 CC1=C(C(=CC=C1)NC(=O)CNC(=O)COC(=O)C2=CC=C(C=C2)C(C)(C)C)C 1 3.754 2 4 -10.6378798910042 4857519 CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl)S(=O)(=O)N3CCCCCC3 1 3.563 3 4 0 -24.9676223600187 4857466 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4 1 1.603 4 6 0 -29.8029686694294 4857451 CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)CC2=CC=C(C=C2)OC)Cl 1 3.543 2 4 -6.68980228101057 4857270 CC1=C(C=C(C=C1)NC(=O)COC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3)[N+](=O)[O-] 1 2.607 2 8 0 -16.1015357272597 4857257 CC1=CC(=C(C=C1)C)OCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 3.704 2 4 -18.3697220482015 4857248 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.661 3 5 0 -17.4687718055691 4857239 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3COC4=CC=CC=C4O3 1 1.305 2 6 0 -24.1908964989164 4857235 CC1CC1C(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 2.832 2 2 -8.61941767251008 4857205 CC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.177 2 6 0 -22.287030574709 4857179 C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 0.469 3 5 0 -16.7411279163431 4857156 C1CC(OC1)CNC(=O)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)F 1 4.559 3 2 -17.8821547694482 4857034 COC1=CC(=C(C=C1)NC(=O)CN2C(=O)C(=O)N(C2=O)C3CCCC3)[N+](=O)[O-] 1 1.246 4 7 0 -13.1506740536749 4856978 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2=CC3=C(S2)CCCCC3 1 4.421 2 2 -11.2848206492163 4856880 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.435 3 6 0 -18.6337100786599 4856799 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)OC)OC 1 2.375 2 7 0 -19.6691049249435 4856765 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=NNC(=O)C=C3)S(=O)(=O)NC4=CC=CC=C4Cl 1 1.706 5 5 0 -14.5981996002782 4856678 CC(C)(C)C1=CC=C(C=C1)COC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 3.208 2 4 -2.9229968815366 4856618 C1=CC(=CC=C1CNC(=O)CN2C=C(C=CC2=O)C(F)(F)F)F 1 1.633 2 2 0 -10.853525247536 4856595 C1CN(CCN1CC(=O)NC2=CC=CC=C2Br)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.074 3 5 0 -22.8028706893088 4856573 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 2.449 3 7 0 -22.8463269066641 4856570 COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4 1 1.252 3 6 0 -20.1470828471518 4856560 COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32 1 2.2e-002 3 7 0 -23.0878849046955 4856511 CC1=CC=CC(=C1C)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 3.008 4 5 0 -15.3597679789121 4856509 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3Br 1 3.621 2 5 0 -18.3001924293848 4856487 CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32)C 1 4.078 2 3 -14.8012361735666 4856464 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 1.1 3 7 0 -12.4854823766273 4856381 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=C(C=C4)OC)C 1 4.523 3 4 0 -7.0952996907073 4856376 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)OC(F)F 1 2.338 3 6 0 -14.2084771304421 4856367 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 1.348 3 7 0 -15.6123487450493 4856356 COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2 1 1.767 2 6 0 -17.6047228399828 4856321 C1CN(CCN1C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Cl 1 3.515 5 3 0 -10.1514432824121 4856320 CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NNC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 1.359 8 3 0 -33.0737212010009 4856303 CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCCC3=CC=C(C=C3)OC 1 4.438 2 5 0 -17.0574318878149 4856287 CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)NC2=CC=CC=C2N3CCOCC3 1 4.644 2 3 -2.30159867858586 4856284 CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)OC 1 3.785 2 4 -16.6357473304859 4856274 CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 3.365 2 5 0 -5.14423439964658 4856257 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)CC3=CC=CC=C3 1 2.419 3 5 0 -14.6539677833334 4856244 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32)OC 1 0.433 3 5 0 -26.1908076584659 4856153 CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2C(=O)C3(CCCCCCC3)NC2=O 1 4.91 3 3 -8.04682383251024 4856150 C1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=CC(=CC=C3)Cl 1 2.759 1 5 -3.55899450903564 4856149 C1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=CC=C(C=C3)Cl 1 2.759 1 5 -4.38847084862948 4856148 COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2COC3=CC=CC=C3O2 1 2.742 1 6 0 -6.52061597853199 4856129 COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)OC 1 2.323 2 7 0 -28.3880905845225 4856105 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC=C2OC)C3=CN=CC=C3 1 1.984 4 4 0 -14.9378655431423 4856104 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC=C2OC)C3=CC=NC=C3 1 1.984 4 4 0 -15.3403986997815 4856102 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)C3=CN=CC=C3 1 1.984 4 4 0 -11.2233612075715 4856099 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4 1 0.878 2 9 0 -28.8454500513161 4856075 CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C3CCC3 1 3.414 1 3 -1.64650256372328 4856074 CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)N3CCC4=CC(=C(C=C4C3)OC)OC 1 1.87 3 6 0 -30.6310102277377 4856072 C1C=CCC2C1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 -0.517 3 7 0 -15.446762798896 4856056 CC1=C(C(=NN1CC(=O)OCC(=O)C2=CC=C(C=C2)OC(F)F)C)[N+](=O)[O-] 1 2.57 3 6 0 -9.04025354955906 4856014 C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NNC(=O)C4=CC=CC=C4 1 2.602 2 4 -9.94911174167375 4855940 CC1=CC=C(C=C1)NC(=O)COC(=O)C2COC3=CC=CC=C3O2 1 2.58 1 5 -6.2104695392163 4855942 CC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C 1 3.462 3 3 -9.22554797820742 4855972 CC1=C(C(=NO1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 -9.1e-002 3 6 0 -19.3057341549991 4855961 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=C(ON=C2C)C)C 1 1.504 3 6 0 -23.1770218212768 4855901 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C 1 0.456 2 7 0 -29.7455616831944 4855894 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N 1 2.234 3 5 0 -24.357015108815 4855860 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 2.471 3 6 0 -19.4579206983711 4855835 CC1=CC(=C(N1CC(F)(F)F)C)C(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 2.723 3 4 0 -20.1108244896015 4855822 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CSC3=CC=C(C=C3)F)C 1 2.728 2 4 -13.9266500260246 4855802 COC1=CC(=C(C=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-] 1 2.643 4 6 0 -22.1600019043681 4855780 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.328 2 5 0 -24.3081216908371 4855769 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 3.006 3 4 0 -9.72479636321661 4855761 CC1=CC=CC=C1NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32 1 3.592 2 3 -14.7720008495922 4855760 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32 1 4.078 2 3 -14.355816384393 4855759 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N 1 2.22 4 4 0 -12.0374289423787 4855756 C1=CC(=CC=C1CC(=O)OCC(=O)NC2=NC=C(C=C2)Cl)F 1 2.615 2 3 -6.10105663188223 4855750 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.994 3 5 0 -28.3606918951117 4855721 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O 1 0.682 3 7 0 -25.3769661951771 4855702 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 3.134 3 4 0 -23.2302806213187 4855698 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CCCOC3=CC=C(C=C3)C(=O)C 1 3.121 3 5 0 -15.8292839505185 4855691 COC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 4.172 1 3 -8.28550848218089 4855690 COC1=CC=CC(=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.557 3 4 0 -19.889106855555 4855643 C1CC1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F 1 2.251 2 5 0 -12.8620233902815 4855636 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2=CC=C(C=C2)C(F)(F)F 1 3.194 2 4 -10.0176886032558 4855616 CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C 1 2.571 2 5 0 -16.7730532451023 4855595 CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O 1 5.038 1 4 -1.32348497742175 4855545 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N(CC)CC(=O)NC2CCS(=O)(=O)C2 1 -2.6e-002 3 6 0 -29.8727970215678 4855511 CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)CC2=CC(=CC=C2)C(F)(F)F 1 3.221 2 4 -10.2332553741914 4855459 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3COC4=CC=CC=C4O3 1 1.192 2 6 0 -17.8216385841094 4855458 C1CCN(C(C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4 1 1.44 3 6 0 -24.6891567311496 4855457 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 5.42 2 3 1.51551655362005 4855407 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CC=CC=C3OC(F)F 1 3.642 2 7 0 -12.5381734452883 4855406 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3OC(F)F 1 4.206 2 4 -6.85329302437913 4855386 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C(=C3)OCC)N4CCOCC4)OCC 1 2.833 4 5 0 -12.5264105297272 4855374 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)N(C)C3(CCCCC3)C#N 1 0.531 6 5 0 -22.6333980544358 4855321 C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=CN3N 1 0.709 5 1 0 -17.8797514335612 4855305 C1CN(CCC1C(=O)N)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br 1 1.56 3 4 0 -6.0063333632343 4855271 CC1=C(C=C(C=C1)NC(=NC2=CC=C(C=C2)Br)N3CCOCC3)C 1 4.397 3 1 -1.61327585572513 4855252 CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=C(N3C(=NC(=N3)N)N=C2C)C)C 1 2.535 6 3 0 -15.4711599504875 4855203 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])C 1 2.36 5 6 0 -24.541810746105 4855182 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 1.013 3 7 0 -25.2604802724096 4855165 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 1.489 4 7 0 -20.4490166137257 4855153 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=NC(=C(C(=C2Cl)N)Cl)Cl 1 3.062 3 3 -10.8033232181094 4855133 CC1=CC=CC(=C1)C(=O)NCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3 1 2.307 3 4 0 -13.1622248469766 4855101 CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C(=O)O 1 4.411 3 5 0 -26.6393771972703 4855055 C1=CC=C(C=C1)CC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 1.145 2 4 0 -13.0605878447068 4855037 CCC1=CC=C(C=C1)C(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32 1 1.963 4 3 0 -12.9143296563564 4855036 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)OC(F)F 1 2.759 4 4 0 -5.34863321247865 4855012 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)O 1 1.29 3 6 0 -14.3905897923431 4854954 CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CC2CCCCC2 1 4.18 1 3 -9.11938197042153 4854936 CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)C)C)Cl 1 2.887 4 4 0 -20.5914337563032 4854930 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 1.385 4 6 0 -25.9633491760406 4854914 C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-] 1 1.163 3 6 0 -14.8812014746921 4854913 C1COC(=CO1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F 1 1.072 2 7 0 -12.8154821970356 4854881 C1CN(CCN1CC(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)C3=C(C=CC(=C3)Br)Br 1 3.708 3 3 -20.800980321191 4854862 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CC2)S(=O)(=O)N3CCOCC3 1 0.525 2 6 0 -27.8260758664675 4854816 CC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)N3C=NN=N3 1 2.056 6 1 0 -16.7231517769645 4854790 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C 1 2.876 3 4 0 -33.1024844362257 4854779 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C 1 1.872 1 7 0 -8.8827159756497 4854756 COC1=C(C=C(C=C1)[N+](=O)[O-])NCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.731 4 6 0 -22.2175704188042 4854659 CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 2.693 3 5 0 -6.5286697574304 4854633 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4 1 1.424 3 7 0 -26.9741254745408 4854620 COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC 1 1.877 2 6 0 -26.4855780600013 4854581 C1=CC=C(C=C1)NC(=O)COC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 1.128 2 4 0 -7.6029913921307 4854525 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C=C(C=C3)F)Cl 1 1.996 2 6 0 -20.3537087655033 4854517 CCOC1=CC=CC=C1NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O 1 2.329 1 5 -10.6545916566322 4854508 C1CCCC(CC1)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N 1 2.239 3 4 0 -18.8993613935982 4854411 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=NC=C5 1 2.693 4 5 0 -18.9082753129316 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CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)C 1 3.824 3 6 0 -22.7531157029771 4851275 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)NC4=CC=C(C=C4)C(=O)N 1 1.501 4 5 0 -21.7532976340943 4851254 CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)OCC 1 2.278 2 7 0 -26.845331587205 4851242 C1=CC=C(C=C1)S(=O)(=O)NNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.335 3 2 1.31553784254222 4851215 COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC 1 2.779 2 7 0 -27.0271153626881 4851204 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 1.707 3 7 0 -26.2763462818935 4851199 CCCN1C(=C(C(=O)NC1=O)C(=O)CN(C)CC(=O)NC2=C(C=CC(=C2)C)C)N 1 1.152 5 4 0 -13.4264765846674 4851139 CC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)CC2)S(=O)(=O)NC3=CC=CC=C3OC 1 1.263 4 5 0 -23.2112420905925 4851107 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC 1 3.336 4 5 0 -18.6594466580548 4851082 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C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)Cl)Cl 1 1.46 3 6 0 -21.8159945961366 4850796 CC(=NNC(=O)C1=CC=C(C=C1)N2C=NN=N2)C3=CC=C(C=C3)Cl 1 2.215 6 1 0 -16.8645031281477 4850793 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC(=O)CNC(=O)C3=CC=C(C=C3)F 1 0.876 3 7 0 -30.8613330370223 4850783 CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CNC(C)C3=CC=CC=C3OC 1 3.454 2 5 0 -9.13537902760547 4850779 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)C)C)N 1 1.147 4 6 0 -21.157093397192 4850769 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F 1 1.926 4 4 0 -19.8203691105698 4850755 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC 1 2.332 3 5 0 -22.9173773301505 4850752 COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCOCC4 1 1.909 3 6 0 -16.5350635240213 4850744 COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 -0.635 4 8 0 -28.1554630299047 4850717 COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CN2)[N+](=O)[O-] 1 1.215 3 8 0 -17.9308574804424 4850701 COC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.318 3 7 0 -23.7637960263576 4850647 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C(CCC(=O)N)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 0.213 6 6 0 -18.7140705694779 4850617 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC(C2=CC=C(C=C2)F)N3CCOCC3 1 2.137 3 4 0 -19.6043218401372 4850602 CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 0.111 2 7 0 -23.7745153834359 4850527 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNC(=O)C3=CC=CS3 1 0.416 3 6 0 -29.6846992941585 4850514 C1CN(CCN1C(=O)C2=CC(=O)NC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C#N 1 1.089 4 4 0 -23.7760708906274 4850509 C1CCCC(CC1)NC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F 1 3.722 2 3 -11.9814554966779 4850492 CC1CCN(CC1)CC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 0.763 5 3 0 -9.02448511237595 4850487 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3COC4=CC=CC=C4O3 1 1.902 2 7 0 -19.9941592048356 4850486 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC(C)C 1 1.733 3 7 0 -24.687769660192 4850485 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.827 3 6 0 -24.6389467712058 4850484 CCCCC1CCC(CC1)C(=O)NC2=CC=CC=C2N3CCOCC3 1 4.547 2 2 -6.6299874514667 4850478 CC(C(=O)N)OC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 0.374 4 6 0 -17.9465214318514 4850477 CC1=CC(=NN1CC(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C 1 -1.9e-002 6 3 0 -23.5875265968532 4850448 CN(CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)CC(=O)NC3=C(C=CC(=C3)Cl)OC 1 1.818 4 5 0 -18.950801966158 4850444 CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC(C)C2CC3CCC2C3 1 3.292 1 3 -13.3483927924496 4850443 CCOC1=CC=C(C=C1)OCCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4 1 2.006 3 7 0 -22.8858272795838 4850415 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-] 1 3.072 3 7 0 -19.9900810942855 4850402 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)OC 1 1.788 3 7 0 -15.904095050734 4850390 CCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 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CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C 1 1.676 3 6 0 -27.2188960451115 4849945 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4)S(=O)(=O)N(C)C 1 2.102 4 6 0 -23.4841387007958 4849944 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 2.102 4 6 0 -23.6589143480043 4849933 C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)NC1=S 1 2.576 4 4 0 -21.5895949440357 4849874 C1C(CN(C1C(=O)NN)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)O 1 -0.277 3 4 0 -7.37821592412556 4849818 CC1=CC=CC=C1OCCOC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 3.687 2 6 0 -18.9201823829338 4849814 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC3=C(C=CC=C3Cl)Cl)C 1 4.837 2 3 -8.22423117015544 4849806 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F 1 1.324 3 6 0 -22.9903336574257 4849783 CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.174 2 5 0 -23.6720581628293 4849777 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4836374 CC(C)CCNCC(CON=C1C2=CC=CC=C2C3=CC=CC=C31)O 1 3.701 2 2 -3.35395072021967 4836362 C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)NNC(=S)NC3=CC=C(C=C3)OC(F)F)[N+](=O)[O-] 1 4.857 5 7 0 -9.23366080668188 4836324 CC(C(=O)N1CCCC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC(=C(C=C3OC)OC)Cl)Cl 1 3.68 2 7 0 -17.7690849000708 4836291 CCC1CCCCN1C(=O)COC2=C(C=C(C3=C2N=CC=C3)Br)Br 1 4.58 2 2 -6.35450617995631 4836287 CC(C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N3CC(=O)NC4=CC=CC=C43)N(C)C 1 2.466 6 2 0 -23.7188405596839 4836266 CC(C1CC1)N(CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3Cl 1 6.493 2 0 -5.58184869217005 4836261 C1CC1C2=NN=C(S2)NC(=O)C3=NN(C(=O)CC3)C4CCS(=O)(=O)C4 1 -0.488 5 4 0 -25.1477598564031 4836220 C1C(OC2=CC=CC=C2O1)CNC(=S)NC3=CC=CC(=C3)C(F)(F)F 1 4.917 2 2 -3.38943622148899 4836219 CCN(CC1COC2=CC=CC=C2O1)C(=S)NC3CC4CCC3C4 1 4.607 2 2 -7.76413288544663 4836216 CCN(CC1COC2=CC=CC=C2O1)C(=S)NC3=CC=C(C=C3)F 1 5.065 2 2 -9.07250091611489 4836209 CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OC(C)C(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O 1 4.537 2 7 0 -13.6166688819909 4836203 CC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O 1 3.933 2 7 0 -14.3079731144787 4836157 C1C(C(=O)N(C1=O)C2=CC3=CC=CC=C3C=C2)NNC(=O)CC4=CC=C(C=C4)Cl 1 2.849 3 3 -4.32975731341415 4836129 COCCN1C(=O)CC(C1=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 -0.888 4 6 0 -25.0235880675932 4836074 CCC1=CC=C(C=C1)NC(=S)N2CCCC(C2)C(F)(F)F 1 5.378 2 0 -8.35050029329425 4836050 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)C 1 2.519 3 4 0 -21.077873721944 4836049 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 2.191 3 5 0 -12.5283885932347 4836021 CC(=O)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=CO2)N3CCCC3 1 3.752 3 2 -17.7344611906424 4836020 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)NS(=O)(=O)C3=C(C=CC(=C3)NC(=O)C)OC 1 2.379 3 7 0 -12.274303713917 4836019 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C2=NC=C(C=C2)S(=O)(=O)N(C(C)C)C(C)C)OCC 1 2.631 4 5 0 -16.3535166120251 4836011 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3 1 1.374 4 5 0 -16.5502261571812 4836010 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=O)C4=CC=CC=C4O3)OC 1 2.857 2 7 0 -9.23526501185536 4836006 CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CC=C3)OC 1 2.173 3 7 0 -15.9946446228806 4835997 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC(=CC(=C3)OC)OC 1 2.515 3 7 0 -16.5434865122446 4835962 CCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)C)OC1=O)C 1 4.835 2 7 0 -15.3902785225526 4835900 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O 1 4.389 2 7 0 -15.7566122406773 4835878 C1C(OC2=CC=CC=C2O1)CNC(=S)NC3=CC=C(C=C3)OC(F)F 1 4.78 2 3 -5.66691076018382 4835793 CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OC(C)C(=O)NCC4CCC(CC4)C(=O)O 1 5.221 1 6 0 -15.4765748642081 4835790 CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)NC3CCCC3)Cl 1 4.692 2 1 -7.56222053630654 4835789 CCCC(C)NC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.313 4 1 -5.30293535599484 4835732 CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC=C2C)C)OCC(=O)N3CCOCC3 1 2.563 2 7 0 -24.1356083973596 4835730 CCC(C1=NN=C(N1C2CCCCC2)SCC(=O)NC3=C(C=CC(=C3)Cl)C#N)N(C)C 1 4.796 6 1 0 -18.6196569445947 4835727 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 1.448 5 5 0 -12.730734407828 4835711 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O 1 4.379 2 7 0 -15.4611858803086 4835652 CC(C)NC(=S)N(C)C1(CCCCC1=O)C2=CC=CC=C2Cl 1 5.016 2 1 -8.9227786714172 4835628 C1=CC=C(C=C1)C(=NNC2=CC=CC=C2)CC3=NC=CN3 1 3.422 4 0 -2.88552767094835 4835598 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O 1 3.905 2 7 0 -13.4128452871707 4835587 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)C 1 3.895 2 7 0 -10.5781052699976 4835550 CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C2=CC(=C(C=C2)C)C 1 0.835 2 5 0 -25.3954668348992 4835523 CC1=C(C=C2C(=C1)C(=CO2)CC(=O)NC3CCCC4=CC=CC=C34)C 1 4.948 1 2 -7.43780964108245 4835520 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.931 2 4 0 -4.05175678076717 4835496 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CNC(=O)C=C3 1 -0.791 3 6 0 -25.6584730009577 4835445 C1=CC=C(C=C1)C2=CC(=O)OC3=CC(=C(C=C23)Cl)OCC(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O 1 4.659 2 7 0 -9.2639954869227 4835439 C1CCN(CC1)C(CNC(=S)NCC2=CC=CO2)C3=CC=CO3 1 3.379 3 2 -15.9058547115229 4835327 CC(CC1=NN=C(N1N)SC(C)C(=O)N)C2=CC=CC=C2 1 1.791 5 1 0 -9.011601169323 4835287 CC(C)C1=CC=CC=C1NC(=S)NC(C)C2=CC=CC=C2 1 5.667 2 0 -7.55320480349543 4835286 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC=C(C=C3)SC(F)F 1 5.429 4 0 -8.33082882031696 4835229 CC1=NC=C(N=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCN(CC4)C 1 -5.2e-002 6 4 0 -22.1212875039191 4835204 C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)NC5=CC=CC(=C5)C#N)C=CC=C4C2=O 1 4.888 2 2 -6.956710345755 4835128 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O 1 3.933 2 7 0 -15.9941215389178 4835105 COC1=CC=C(C=C1)NC(=S)NCC(C2=CC=CO2)N3CCCC3 1 3.996 3 2 -13.5595060437211 4835070 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2N)C3COC4=CC=CC=C4O3 1 1.258 6 4 0 -20.8593032029472 4835043 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4 1 5.13 2 6 0 -20.7292400008515 4835042 CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC(=C(S2)Br)Br)C 1 5.534 1 3 -9.4986065914043 4835001 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=CC=CO4 1 2.523 3 5 0 -27.1237443578952 4834997 CC(=O)NC1=CC=C(C=C1)C2=NN=C(SC2)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.649 5 4 0 -22.5127460670402 4834989 CCC(C1=CC=CC=C1)C(=O)NCCC2=CNC3=C2C=CC(=C3)OC 1 4.173 2 2 -12.1478490012115 4834978 CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC(=O)NCC4CCC(CC4)C(=O)O 1 4.737 1 6 0 -15.341467754282 4834938 CC1=CC=C(S1)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)S(=O)(=O)NC4=CC=C(C=C4)OC 1 3.034 3 5 0 -5.83817313680395 4834936 CCN(CC(=O)NC1CCS(=O)(=O)C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N 1 0.921 4 4 0 -31.0239399856189 4834910 C1=CC=C(C(=C1)C(CC(=O)O)NS(=O)(=O)C2=C(C=C(C=C2Br)F)F)Cl 1 3.906 1 4 -9.81323929903996 4834878 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 -0.413 4 6 0 -18.9880272640211 4834875 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5 1 0.883 4 6 0 -14.627901715479 4834863 CC(C(=O)NCC1CCC(CC1)C(=O)O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=CC=C4 1 4.279 1 6 0 -13.5120761227182 4834852 CC(C1CC2CCC1C2)NS(=O)(=O)C3=CC=CC=C3Cl 1 3.647 1 2 -7.91751511059314 4834844 COC1=CC=CC=C1S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 2.185 3 6 0 -17.8831633004274 4834791 CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)N(C)CC2=CC=C(C=C2)SC 1 4.182 2 1 -1.45591131131752 4834751 COC1=CC(=CC(=C1OC)OC)C2CC3=NC(=NC=C3C(=O)C2)NC(=O)C4=CC=CO4 1 2.515 3 6 0 -19.4280556123974 4834741 CC(C1CC2CCC1C2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 3.252 2 2 -16.8660332180571 4834733 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 0.922 4 4 0 -15.6683102845849 4834658 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=NN2C 1 0.189 5 3 0 -30.8303909942171 4834644 CC(C(=O)NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)O)OC3=CC4=C(C=C3)C=CC(=O)O4 1 3 2 7 0 -15.3375290347265 4834624 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl 1 1.869 2 6 0 -21.0482197456726 4834526 CC(=O)C1=CC(=C(C=C1)OCC(CN(CCO)CC2=CC=CC=C2)O)OC 1 2.209 1 5 -8.56039698517874 4834524 CC(C1CC2CCC1C2)NC(=O)COC(=O)CN3C=NC4=CC=CC=C4C3=O 1 1.965 3 4 0 -12.1819642444541 4834494 CC1CCCN(C1)C2=C3C(=CSC3=NC(=N2)C4=CN=CC=C4)C5=CC=CC=C5 1 5.037 4 0 0.38979397224044 4834479 CC(C(=O)NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)O)OC3=CC4=C(C=C3)C5=CC=CC=C5C(=O)O4 1 4.051 2 7 0 -16.2679431241302 4834449 CC1=C(C(=NO1)C)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(C)C 1 1.325 3 6 0 -25.2064433547925 4834443 CC1CC(CN(C1)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C 1 1.545 3 3 0 -18.2419655736346 4834373 CCN1C=C(C2=CC=CC=C21)C3CC(=O)NC3=O 1 1.55 2 2 0 -8.90771707010293 4834371 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.697 3 3 -14.1182855449941 4834367 CC(C)(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3 1 1.56 3 6 0 -28.3190592245558 4834260 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4 1 2.364 3 5 0 -14.6999253222055 4834251 CC1CC1C(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl 1 3.316 2 1 3.34576235416914 4834245 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2N)CC3=CC=CC=C3F 1 0.724 5 3 0 -27.4189537885037 4834221 CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC(=CC(=C2)Cl)Cl)[N+](=O)[O-] 1 2.469 4 7 0 -14.7629216123095 4834173 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=CC(=C3)C#N 1 2.158 4 4 0 -20.0579386996782 4834145 C1=CN(C=N1)CCCNC(=O)C2=CC(=C(S2)Br)Br 1 2.112 3 1 -6.62461442726115 4834138 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CNC(=O)C2CCCCC2 1 1.226 3 4 0 -16.6014521714657 4834113 CC(C)(CNC(=S)NCCC1=CC=CC=C1)CNC(=S)NCCC2=CC=CC=C2 1 5.857 4 0 -8.9337358634416 4834110 CC(C)C(C(=O)OCC(=O)C1=CNC2=CC=CC=C21)NS(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 4.653 2 5 0 -14.0862343567567 4834045 CC(C(=O)NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C5=CC=CC=C5 1 4.479 2 7 0 -12.0544425314011 4834000 CN=C1N(C(=O)C(S1)CC(=O)NC2=C(C=C(C=C2)F)F)N=CC3=CC(=C(C=C3)OC(F)F)OC 1 4.377 4 4 0 -11.4605084641822 4833922 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F 1 2.996 2 5 0 -19.3293578470508 4833920 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)N4CCOCC4 1 2.029 3 5 0 -5.52621992509202 4833845 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OCC 1 2.123 3 6 0 -28.8443533252999 4833757 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4 1 2.349 4 5 0 -19.8923966244158 4833752 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C)C 1 2.201 3 5 0 -17.0434954725389 4833747 CC(C(=O)NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C5=CC=C(C=C5)OC 1 4.462 2 8 0 -12.1381688954296 4833727 COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=C(C=C2F)F)Cl)F)S(=O)(=O)N3CCCCC3 1 3.616 2 5 0 -9.37559766044108 4833722 CC(C1CC2CCC1C2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)F 1 2.454 2 3 -9.1048592909024 4833715 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O 1 3.895 2 7 0 -13.117418926802 4833625 CC1CC2=CC=CC=C2N1C(=O)C(C)SC3=NC(=CS3)C4=CC=C(C=C4)F 1 5.3 2 1 -5.84930119806517 4833601 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 2.252 3 5 0 -20.8029897105468 4833581 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N(C)CC(=O)NC3=CC(=CC=C3)OC 1 1.638 4 5 0 -23.1378085090308 4833565 CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)CC(=O)O 1 -0.373 2 4 0 -20.1958778355034 4833559 CC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)C 1 1.339 4 7 0 -25.4906321597974 4833515 CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)N2C3=CC=CC=C3N=N2)[N+](=O)[O-] 1 2.224 6 4 0 -9.57823562888211 4833514 CC(C)(C)C(=O)C=C1N(C(=O)C(=CC2=CC=C(C=C2)SC)S1)CC(=O)NCCC3=CCCCC3 1 5.591 2 3 -13.0979886586473 4833500 CN1C(=O)CCC(=N1)C(=O)N=C2N(C3=CC=CC=C3S2)C 1 1.71 4 2 0 -20.1488789220943 4833497 CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)Br 1 2.03 5 3 0 -16.0540654197491 4833482 CCN1CCCC1CNS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F 1 3.325 2 2 -9.78154806568034 4833479 C1CC(OC1)CNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.055 3 6 0 -29.4799117049173 4833461 CSCCC(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=C(C=C2)F 1 1.106 3 5 0 -23.6498480787312 4833436 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC(=O)NCC3=CC=CC=C3 1 2.112 4 3 0 -7.66138841390457 4833431 CCCN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 1.075 3 5 0 -18.96565436752 4833418 CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)OC(F)F 1 5.484 2 1 -3.4145562083037 4833408 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.059 3 8 0 -33.7880176375657 4833396 COC1=CC=CC(=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4 1 1.287 3 6 0 -19.9293922797952 4833395 CCOC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C)OCC(=O)N3CCOCC3 1 2.225 2 7 0 -23.6029829257851 4833383 CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)CC2=CSC=C2 1 4.024 1 1 -8.03507004673725 4833367 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-] 1 1.784 3 7 0 -6.54015650188144 4833365 CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)C 1 3.755 3 5 0 -18.6525255839266 4833354 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NN=C(N3N)C4=CN=CC=C4 1 0.665 7 4 0 -28.0483700063148 4833337 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)Cl 1 2.398 3 4 0 -5.81061470786526 4833334 C1CC(CN(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)N 1 2.154 3 3 -11.2369573976548 4833332 C1CCN(C1)C(CNC(=S)NC2=CC=CC=C2)C3=CC=CO3 1 4.012 3 1 -13.4005881994751 4833304 CC1CN(CC(O1)C)C(=O)CSC2=NN=C3N2C=C(C=C3Cl)Cl 1 2.725 4 2 -17.6266811032552 4833287 CCCN1C2=C(C(=NC(=N2)CC(C)C)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)N(C1=O)C 1 4.223 5 3 0 -17.2848021602648 4833285 CN(CC(=O)NC1=CC=C(C=C1)OC)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 2.27 4 5 0 -13.8316047001278 4833281 COC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 2.402 3 5 0 -15.8452364450696 4833279 CC(C(=O)OCC(=O)C1=C(N(C(=O)N(C1=O)C)C)N)NC(=O)C2=CC=CC=C2 1 -0.214 4 6 0 -24.1907207282934 4833277 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=O)NC4=CC=CC=C43 1 1.208 4 4 0 -18.4321800826753 4833255 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)O 1 1.23 3 6 0 -14.1056145799294 4833233 CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)N(C)CC(=O)NC2=CC=CC=C2Br 1 3.441 3 2 -9.76450626981987 4833225 C1=CC=C2C=C(C=CC2=C1)NC(=O)CCN3C=CN=C3 1 1.716 3 1 0 -1.78763405430598 4833217 CC(C)(CNC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)CN(C)C 1 4.799 3 1 -6.75609458165955 4833204 CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=O)C3CCCCC3C2=O)S(=O)(=O)N4CCOCC4 1 0.513 3 8 0 -25.3777068057546 4833203 CC(=O)N1CCN(CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 0.663 4 4 0 -21.0736464163569 4833185 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3=CC(=C(C=C3)OC(F)F)Cl 1 2.985 2 4 -7.42150982821976 4833145 CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.693 3 8 0 -19.3967809248222 4833123 CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)CC4=CC=CC=C4 1 3.203 6 3 0 -23.1890576725606 4833108 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O 1 1.566 5 5 0 -18.7157678930963 4833098 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCCO4 1 1.188 2 7 0 -24.9394731347693 4833079 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CN4CCC5=CC=CC=C5C4 1 2.042 4 4 0 -23.4762498292183 4833036 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N 1 1.038 5 4 0 -18.6821014653473 4833028 CCOC1=C(C=C(C=C1)C=NN2C(=O)C(SC2=NC)CC(=O)NC3=C(C=C(C=C3)F)F)OC 1 3.904 4 4 0 -14.9261828657971 4833026 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC 1 2.1e-002 2 9 0 -26.9769776837343 4833022 CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCC(=O)N(C)C3CCS(=O)(=O)C3)C)C 1 1.903 3 5 0 -32.2564202642314 4832979 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C)N 1 0.62 4 7 0 -22.0793032419986 4832969 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl 1 2.213 2 5 0 -16.0468336145382 4832960 CCN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)C(NC2=O)CCSC 1 -1.021 3 5 0 -23.0105003329867 4832947 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32 1 0.881 4 4 0 -18.5496273925383 4832944 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)OCC 1 1.749 2 8 0 -28.1468976028676 4832936 CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.75 2 5 0 -12.4885441384048 4832935 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5 1 4.544 4 5 0 -2.40070830842357 4832934 CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 2.591 3 5 0 -15.3443879340003 4832932 COCCCN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.029 3 5 0 -16.5489395658908 4832930 CC1=CC=C(C=C1)S(=O)(=O)N(CCCOC)CC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 1.851 3 5 0 -18.3709382564777 4832929 COCCCN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)S(=O)(=O)C3=CC=CC=C3 1 1.364 3 5 0 -19.2669478957138 4832926 CC1CCCC(C1C)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 3.058 3 6 0 -26.5793067972916 4832920 CN(C)S(=O)(=O)C1=CC=CC(=C1)N=C2N(CCS2)CC3=CC=CC=C3 1 3.137 3 2 -9.14546886763495 4832919 CCC1=CC=C(C=C1)NC2=NCC(S2)C3=CC=CC=C3 1 4.785 2 0 -3.2578559738906 4832903 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)NC(C)C(C)C 1 3.535 5 3 0 -29.0264742741626 4832875 CC1CCC2=C(C1)C=C(S2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F 1 5.549 3 1 -16.1265778657493 4832854 COC1=CC=C(C=C1)CCNC(=O)CC2C(=O)N=C(S2)NCCC3=CC=CC=C3 1 3.542 3 3 -15.791015072886 4832853 CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C4=NN=C(SC4)NCC5=CC=CC=C5 1 3.991 6 1 0 -13.7870727442142 4832851 CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 4.87 3 3 -16.3638116174169 4832832 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)OCC(=O)N4CCOCC4)OC)OC 1 2.446 3 7 0 -14.2862437655739 4832812 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br 1 2.085 5 5 0 -9.41477940534164 4832805 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)N 1 0.979 6 5 0 -25.0523455623097 4832787 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC(=NC3=C2C(=C(S3)C(=O)OCC)C)C 1 2.252 3 5 0 -32.3011355417977 4832748 CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.42 3 6 0 -16.811428768541 4832712 CC(C)CCNC(=O)NC(=O)COC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21 1 0.995 4 6 0 -21.4108960332613 4832705 COC1=C(C=C(C=C1)NC(=O)C2=NC=CN=C2)S(=O)(=O)NC3=CC(=C(C=C3)OC)Br 1 1.945 4 5 0 -10.6365203788949 4832701 COC1=CC=C(C=C1)CCNC(=O)CC2C(=O)N=C(S2)NCC3=CC=CC=C3 1 3.22 3 3 -16.9247939506927 4832698 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)N4CCCC4=O 1 2.214 3 5 0 -30.2620007960051 4832682 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCN(CC2)C3=CC=CC=N3)C 1 2.759 5 3 0 -17.3968952875835 4832673 COCCNC(=O)NC(=O)CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 2.182 4 3 0 -16.0875840804845 4832643 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N)C 1 1.277 4 6 0 -14.2141783180509 4832639 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C4N2N=CC4 1 4.028 4 3 0 -20.8177670704009 4832603 CC1=C(C=C(C=C1)NC(=O)C2=NN3C(=CC(=NC3=N2)C)C)S(=O)(=O)NC4=CC=C(C=C4)OC 1 2.649 6 4 0 -13.1252305443839 4832593 CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)C 1 -0.397 2 6 0 -29.5727638233755 4832592 CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F 1 1.47 2 5 0 -25.4793760906919 4832591 COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=C(C=C2)F)F)F)S(=O)(=O)N3CCOCC3 1 1.722 2 6 0 -13.2354255221719 4832589 C1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.397 3 4 0 -25.1499136233145 4832586 CN1CCC2(CC1)CC(C3=CC=CC=C3O2)NC=O 1 0.738 2 2 0 1.92801032077867 4832574 CCN(CC)C(CNC(=O)C1=CC(=O)NC2=CC=CC=C21)C3=CC=CC=C3Cl 1 3.533 3 2 -13.2505093659913 4832513 C1CN(CCN1C2=CC=C(C=C2)F)C3=C4C(=CSC4=NC(=N3)CN5CCOCC5)C6=CC=CC=C6 1 4.816 5 1 2.61467897321734 4832471 CCOC(=S)SCC(=O)NC1=NC(=C(S1)C)C 1 2.532 2 2 -9.75504927421716 4832468 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC(=S)N2CCOCC2 1 3.151 2 4 -21.0404178192415 4832447 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 2.081 3 6 0 -8.75918740061137 4832437 C1CC1NC(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-] 1 2.107 2 7 0 -9.48305648741919 4832415 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)NC4=CC=C(C=C4)OC 1 2.425 4 6 0 -10.0440241850936 4832404 CC1=CC(=NC2=NC(=NN12)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4OC)C 1 2.163 6 4 0 -16.4447785660378 4832403 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC)C 1 4.484 3 5 0 -28.8601709284798 4832402 CC1=CC=C(C=C1)N2C3=C(C(=N2)C)C(=CC(=N3)C4=CC=CC=C4)C(=O)OCC(=O)N(C)C5CCS(=O)(=O)C5 1 3.649 4 5 0 -17.898314590863 4832398 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)N 1 0.17 2 5 0 -13.1316420508626 4832390 CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=C(C4=CC=CC=C4O3)COCC)C(=O)OCC 1 4.252 3 5 0 -9.53013585965011 4832361 CCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 -0.786 3 8 0 -27.2375767749366 4832360 CN(CC1=C(C(=CC=C1)OC)OC)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl 1 2.749 3 5 0 -16.6936671433037 4832333 CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC)C 1 2.718 3 7 0 -20.1442577112379 4832332 CCC(CO)NCC(COCC1=CC2=C(C=C1)OCO2)O 1 0.855 1 5 0 -3.33484364023477 4832262 CCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4 1 1.23 5 4 0 -20.3366569501135 4832240 CC1CCC2=C(C1)C=C(S2)C(=O)OC(C)C(=O)NC3=C(C=C(C=N3)Cl)Cl 1 5.111 2 3 -6.13863740567191 4832231 CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)OC3=CC=CC=C3OC 1 4.699 4 5 0 -16.1199664335964 4832224 COC1=CC=CC=C1NC(=O)CC2=NOC(=N2)CSC3=CC=CC=[N+]3[O-] 1 1.367 4 4 0 -14.8463883520014 4832213 C1=CC=C(C(=C1)C2=CSC(=N2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl)Cl 1 4.195 3 2 -9.515196875539 4832207 C1CN(CCN1C(=O)COC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl)C(=O)C3=CC=CO3 1 0.902 3 7 0 -16.1548464668116 4832194 CC1=C(C(=CC=C1)C)OCC(CN(CC2=CC=CC=C2O)C3CCCCC3)O 1 5.613 1 3 -8.46970527614055e-002 4832190 COC1=CC=C(C=C1)COCC(CN(CC2=CC=CC=C2O)CC3=CC=CO3)O 1 3.352 1 5 -0.454146793725939 4832189 C1=CC=C(C(=C1)CN(CC2=CC=CO2)CC(COCC3=CC=C(C=C3)Cl)O)O 1 4.033 1 4 1.70977515736997 4832187 CC1=CC=CC=C1OCC(CN(CC2=CC=CC=C2O)C3CCCCC3)O 1 5.127 1 3 0.195807343103134 4832147 CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NC(=O)NCCOC 1 1.148 4 6 0 -24.0380817514178 4832129 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4 1 2.439 3 5 0 -27.4996922727853 4832123 C=CCNC(=O)NC(=O)CSC1=NC2=C(N1C3=CC=CC(=C3)C(F)(F)F)C=CC(=C2)[N+](=O)[O-] 1 4.504 5 4 0 -11.6497406662527 4832119 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.508 5 5 0 -9.5832761629363 4832094 CCCN(CC1=NN=C(O1)C2=CC=CC=C2Cl)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.645 5 6 0 -11.9386875107785 4832080 CCC1=CC(=C(S1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])C(=O)OCC 1 1.13 2 6 0 -19.0040616884332 4832077 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC(=O)NC4CCS(=O)(=O)C4 1 0.137 3 8 0 -31.7122750510757 4832020 CC1=C(C=C(C=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)Cl 1 3.951 3 2 -12.5579716834572 4832012 CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-] 1 1.805 4 7 0 -13.0168714736853 4832009 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 4.812 3 2 -9.82154979909581 4832002 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NC2=CC(=CC(=C2)Cl)Cl 1 4.812 3 2 -10.4657342966925 4831941 CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4 1 4.139 2 5 0 -24.1830608576615 4831929 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C3N2C=CC=C3)S(=O)(=O)N4CCOCC4 1 1.615 5 4 0 -29.4623459531673 4831921 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5 1 1.261 3 6 0 -11.3275541192817 4831912 CC(C)(C)C1=C(C=CC(=C1)OC)OCC(CNCCC2=CC=C(C=C2)OC)O 1 4.178 1 4 0.772490964607668 4831887 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=CC3=C(C=C2)N=CS3 1 3.607 3 3 -8.24384429039156 4831884 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NC2CCCCC2 1 3.487 3 2 -15.1704844696802 4831881 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)CC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 1.292 5 4 0 -6.30037008328153 4831864 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CO3)N4CCOCC4 1 2.331 3 6 0 -9.69356770837908 4831863 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3 1 1.256 5 6 0 -38.7031119170201 4831862 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4 1 2.236 3 6 0 -18.9608446158601 4831844 CC(=NN1C(=O)C(SC1=NC)CC(=O)NC2=C(C=C(C=C2)F)F)C3=CC(=CC=C3)OCC(=O)O 1 3.033 4 5 0 -15.3114206647468 4831833 CC(C(=O)NC(=O)N)N1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 1.429 4 4 0 -10.603562547137 4831793 C1COCCN1C2=CC(=C(C=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4 1 1.516 5 6 0 -15.0466393969533 4831734 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=C4CCCC4=NC5=CC=CC=C53 1 3.529 4 4 0 -16.8566712809168 4831685 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OC(C)C(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-] 1 4.582 3 7 0 -16.5131662353978 4831673 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)OC)Cl 1 1.357 4 5 0 -10.3457352923565 4831653 CCN(CC)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2C(C)NC(=O)C4=CC=C(C=C4)C 1 5.002 5 2 0 -17.9266365084216 4831642 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 0.799 5 5 0 -22.7383569468629 4831623 CN(C)C(CNC(=O)C1=CC2=C(C=C1)NC(=O)C(=O)N2)C3=CC=CO3 1 0.298 4 4 0 -15.498706327321 4831586 CCCN1C(=O)NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.594 5 5 0 -30.9066661162375 4831585 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)CNC(=O)C2=CC=CO2 1 0.558 3 7 0 -19.8992940403056 4831572 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C 1 3.05 4 5 0 -17.8676074725275 4831563 CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl)OCC(=O)N3CCOCC3 1 1.644 3 7 0 -20.3390385344943 4831537 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3CC=CCC3C2=O)S(=O)(=O)N4CCOCC4 1 0.362 3 6 0 -21.1228485130568 4831516 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F 1 1.47 6 5 0 -19.3067182790056 4831504 CC1=CC(=C(C=C1)NC(=O)CC2C(=O)N(C(=NC)S2)N=C(C)C3=CC=C(C=C3)OCC(=O)O)C 1 3.595 4 5 0 -18.4060013708156 4831483 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4 1 2.397 3 5 0 -20.5747194742066 4831453 CC12CCC(=O)N1C(CS2)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl 1 0.407 3 6 0 -15.7928452696544 4831444 CN=C1N(C(=O)C(S1)CC(=O)NC2=C(C=C(C=C2)F)F)N=CC3=CC=C(C=C3)OCC=C 1 4.188 4 3 0 -15.0322195664661 4831440 COC1=C(C=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F)OCC(=O)N4CCOCC4 1 2.684 3 5 0 -11.9304068629014 4831426 C1CN(CCN1CC2=NC(=O)C3=C(N2)C=CS3)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.312 5 3 0 -3.45608756037785 4831422 COC1=C(C=C(C=C1)CCNCC(COC2=CC(=CC=C2)Br)O)OC 1 3.526 1 4 -2.39145070684883 4831418 CCCCN(CCCC)CC(COC1=CC=C(C=C1)Br)O 1 4.847 1 2 -2.6511235812585 4831404 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)COC(=O)C2=CC=C(O2)Br 1 2.453 4 6 0 -13.1958488270852 4831395 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=CC4=C3OC(=C(C4=O)C)C5=CC=CC=C5 1 4.032 3 6 0 -13.6866351548829 4831392 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4 1 1.739 3 6 0 -22.0918204830481 4831360 CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)Cl 1 3.617 5 4 0 -28.0648522042503 4831357 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N3C(=O)C4CC=CCC4C3=O 1 0.36 3 6 0 -27.3908666786627 4831341 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)N4CCOCC4 1 2.029 3 5 0 -9.30571013414968 4831336 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])N 1 1.918 7 5 0 -9.00483658049289 4831335 CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N(C)C 1 2.672 2 7 0 -12.6867530875005 4831314 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N2CCN(CC2)C3=CC=C(C=C3)O 1 3.386 4 4 0 -5.6871761414864 4831299 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)OC(C)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-] 1 3.056 4 8 0 -19.1735980263814 4831293 CC12CCC(=O)N1C(CS2)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4 1 1.116 3 6 0 -22.967077630553 4831292 CC(C(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=CC=C(C=C2)Br)NC(=O)N 1 2.184 4 4 0 -10.255072350892 4831290 C1CN(CCC1C(=O)OCC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 3.065 2 5 0 -19.8932835535001 4831284 CC1CCCC(C1C)NC(=O)COC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.604 3 6 0 -23.4308018108923 4831277 C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(COC4=CC=C(C=C4)C#N)O 1 4.383 2 3 -5.92573061865734 4831256 CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)C(=O)NC4=CC=CC=C4OC 1 5.329 3 4 0 -22.3057604885046 4831254 CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-] 1 6.327 4 3 0 -14.9780870234151 4831229 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 1.159 1 8 0 -24.105895878512 4831224 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C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)NNC(=O)COC3=CC(=CC=C3)F 1 1.127 4 4 0 -11.8092674230673 4826625 CC1=CN=C(S1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.05 3 2 -13.2540716481879 4826553 C1CN(CCN1C(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4 1 2.714 3 6 0 -13.9579228704492 4826520 CC1=CC2=C(C=C1C)N(C=N2)C3=C(C=CC=N3)[N+](=O)[O-] 1 3.383 4 2 -3.36607909359405 4826489 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 1.523 2 5 0 -13.7391046909758 4826488 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4CC=CCC4C3=O 1 1.353 3 5 0 -23.655614101297 4826486 CC1=C(C(=CC=C1)C)NC(=O)CN2C(=O)C3CC=CCC3C2=O 1 2.043 2 3 -9.26097111119953 4826485 CC1=C(C(=CC=C1)NC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32)C 1 2.798 3 3 -11.4410343183064 4826440 CC1=C(OC2=C1C=CC=C2Cl)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 2.741 4 2 10.8476394336018 4826437 CCOC(=O)C1=C(N=C(S1)NC(=O)CN2C(=O)C3CC=CCC3C2=O)C 1 0.846 3 5 0 -14.310908554881 4826429 COC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.074 2 5 0 -22.7339385047981 4826410 CC12CCC(=O)N1C(CS2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4 1 1.863 3 2 0 -2.45470482111266 4826345 CC1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(C=C2)Cl)SC3=NC=NN3)O 1 3.646 4 3 0 -4.85952769615812 4826327 CC(=O)C1=CC(=CC=C1)OCC(=O)NC2CCCCCC2 1 2.927 1 3 -10.8012748022022 4826326 C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 2.895 2 3 -10.9987018983152 4826325 CC1=CC(=C(C=C1)OCC(=O)NC2CCCCCC2)OC 1 3.657 1 3 -10.6693783075124 4826305 CCCCN1C(=O)C(=O)N(C1=O)CC(=O)C2=C(N(C(=C2)C)C3=NOC(=C3)C)C 1 2.22 4 5 0 -14.2867909945175 4826277 CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=CC(=C(C=C3)OC(F)F)OC)Cl 1 5.456 1 4 -0.582836383210427 4826258 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCCC3 1 3.492 3 2 -24.8092739208886 4826253 CC1=CC(=CC=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.974 2 5 0 -19.3078425477448 4826245 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CNC(=O)C=C3 1 0.911 3 4 0 -21.6608330142496 4826240 COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N3CCCC3 1 2.288 4 2 -6.65282155596925 4826238 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C=C(C=CC3=O)C(F)(F)F 1 1.941 3 4 0 -21.6720334129222 4826237 CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)C2=CC=CS2 1 2.636 2 4 -11.8706193181021 4826230 CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3F 1 2.975 2 4 -21.5347368058881 4826221 CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NN=C(N3C)C4=CC=CO4 1 2.774 5 3 0 -8.69133342352801 4826212 CC(C)C(C(=O)NCC1(CCCCC1)N2CCCCC2)NC(=O)C3=CC=C(C=C3)OC 1 4.179 3 3 -21.1499886319052 4826189 CC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)NCC(C)(C)N3CCOCC3 1 3.196 2 4 -6.40909536100169 4826177 CC1=CC2=C(C=C1NS(=O)(=O)C3=CC=CC=C3)SC(=O)O2 1 3.519 1 4 -2.64275881313961 4826176 CC1=CC2=C(C=C1NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)SC(=O)O2 1 3.705 2 4 -5.78858430504195 4826143 CC1=CC(=NC2=CC=CC=C12)NCC3CCCCC3 1 4.566 2 0 5.25360834015232 4826074 COC1=CC=CC=C1N2CCN(CC2)CC3=NC4=CC=CC=C4N3 1 3.225 4 1 4.02536067970503 4826079 C1C(N(N=C1C2=CC=C(C=C2)Cl)C(=O)C3=CC=NC=C3)C4=CC=CC=C4O 1 3.687 3 2 -2.59696360789793 4826088 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC3=CC(=C(C=C3)Cl)Cl 1 2.766 2 5 0 -20.3593614510219 4826111 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3COC4=CC=CC=C4O3)Cl 1 2.743 2 5 0 -20.2933153633787 4826105 C1CC2=CC=CC=C2N(C1)C(=O)COC3=CC=CC=C3C(=O)N 1 2.189 2 3 -10.832756783769 4826104 CC1(C(=O)NC2=CC=CC=C2N1C(=O)CN3C(=O)C(NC3=O)(C)C4=CC=C(C=C4)OC(F)F)C 1 2.326 4 5 0 -9.48177548902865 4826101 COC1=C(C=C(C=C1)CCC(=O)NC2CCCC3=CC=CC=C23)OC 1 4.095 1 3 -13.6966693272829 4826066 C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=CC=C3Br 1 1.447 4 2 0 -9.80480214118919 4826065 C1CC2=C(C=CS2)C3(C1)C(=O)N(C(=O)N3)CC(=O)N 1 0.1 3 3 0 -7.24520458050629 4826038 C1CCN(C1)CC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)C4=CC5=C(C=C4)OCO5 1 4.017 4 3 0 -8.95858173509578 4826031 CC(C)(CNC(=O)CNC(=O)C1=CC=CC=C1F)N2CCOCC2 1 0.712 3 3 0 -18.9442212497179 4826026 CC1=CSC(=N1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3OC 1 1.149 3 3 0 -7.76384401761548 4826021 CN(C)C(CNC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-])C2=CC=CO2 1 2.513 3 4 0 -11.8998851311102 4826013 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NNC(=O)C2=CC3=C(C=C2)OCO3 1 1.421 3 6 0 -15.4816349469682 4825981 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)C3=CC=NC=C3 1 3.62 2 2 -3.98210564409794 4825978 CC(C)N1C(=CC=N1)N(CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3 1 3.486 4 2 -11.6291035931882 4825974 CC1=C(C(=NN1C)C)NC(=O)COC2=CC=C(C=C2)Cl 1 2.192 3 2 -3.47111877718901 4825964 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C#N)C3=CC=NC=C3 1 2.835 3 2 -8.42984348435544 4825943 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC4=CC=CC=C4C(=O)N3C 1 3.143 3 4 0 -19.5231355296788 4825930 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C(C)(C)OC2=CC=C(C=C2)Cl 1 3.166 4 4 0 -5.86670491473681 4825913 C1CN(CCN1C(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)C3=CC=CC=C3 1 2.513 3 3 -9.5271671303329 4825908 COC1=C(C=C(C=C1)CCNC(=O)C2=CNC(=O)C=C2)OC 1 0.716 2 4 0 -14.6586441426661 4825903 CN(C)C(CNC1=NC=CC=N1)C2=CC=CC=C2 1 1.659 4 0 0 -3.31614305820541 4825898 CC1=C(C=C(C=C1)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)F 1 2.18 3 3 -18.8448630876187 4825891 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CNC3=CC=CC=C3F 1 3.179 3 3 -18.9301151665629 4825866 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)NCCC2=CC=CC=N2 1 1.265 4 2 0 -13.0717209751401 4825858 CCN(CC)C1=NC2=CC=CC=C2N(C1=O)CC3=CC(=CC=C3)OC 1 2.988 3 2 -3.25872265752718 4825855 C1=CC=C2C(=C1)C=CC(=N2)NCC3=CC=C(C=C3)S(=O)(=O)N 1 2.18 3 2 -1.99059018259923 4825853 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)NCCOC3=CC=CC=C3 1 1.764 3 3 0 -15.0218402795165 4825824 C1=CC=C2C(=C1)C=C(O2)C(=O)NCCC3=CC=CC=N3 1 2.529 2 2 -4.36084680903253 4825796 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2C)C3=CC=CO3)N 1 1.552 6 4 0 -15.1526490657637 4825791 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC3=CC=C(C=C3)C#N 1 2.188 4 3 0 -23.5873534723418 4825774 C1CC2=CC=CC=C2N(C1)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-] 1 0.997 3 4 0 -12.1284267948053 4825765 C1CCCC(CC1)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3 1 3.218 3 2 -8.85885269357728 4825738 C1=CC(=CC=C1NCCNC(=O)COC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 2.889 3 4 0 -9.52479079839364 4825665 C1=COC(=C1)C2=NC(=C(O2)NCCCN3C=CN=C3)S(=O)(=O)C4=CC=C(C=C4)Br 1 3.175 4 4 0 -5.82231984538384 4825664 CN(C)C1=C(N=C(O1)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.724 2 4 -4.5964050542673 4825657 C1CN(CCC1C(=O)N)C2=C(N=C(O2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4 1 3.26 3 4 0 -5.49705168801746 4825654 CCN1CCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3C)S(=O)(=O)C4=CC=CC=C4 1 4.373 3 3 -6.10557241706476 4825646 C1CC(OC1)CNC2=C(N=C(O2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4 1 3.791 2 4 -8.89815105816065 4825620 CN1C=CC=C1CC(=O)NNC(=O)NC2=CC=CC=C2F 1 1.611 4 2 0 -12.0805783512034 4825618 C1=CC=C(C=C1)NNC(=O)NC2=CC=CC=C2F 1 2.75 3 1 -4.24419646644774 4825573 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2CCCC2 1 2.196 4 3 0 -10.8351987649034 4825510 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=CC=C3)Cl 1 3.109 4 3 0 -5.64315199779781 4825494 C1CCC(CC1)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O 1 2.056 2 3 -15.6568006729519 4825259 CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NC3(CCCCC3)C#N 1 3.712 2 4 -11.039048223053 4825134 CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)NC3(CCCC3)C#N 1 1.919 5 2 0 -13.0645361932105 4825109 CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N3CC(=O)NC4=CC=CC=C43 1 2.642 2 5 0 -15.3161150848864 4824930 CN(CCOC1=CC=C(C=C1)Br)CC(=O)NC2=C(C=CC(=C2)OC)OC 1 3.304 2 4 -6.29306945218298 4824786 CN(CC(=O)NC1=CC=CC=C1Cl)CC(=O)N2CCC3=CC=CC=C32 1 2.537 3 2 -12.8983711423054 4824710 COC1=CC=CC(=C1)N2CCN(CC2)CC(=O)NC(=O)NC3CCCCC3 1 2.631 4 3 0 -4.06968621990513 4824619 C1CN(CCN1CC2=NN=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.185 4 3 0 -13.4460894883378 4824613 C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)F 1 2.157 3 3 -18.4789775240403 4824531 C1COC2=C(C=C(C=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4O)OC1 1 2.192 3 4 0 -3.93503656865053 4824513 C1COC2=C(C=C(C=C2)NC(=O)CN3CCC4=CC=CC=C43)OC1 1 2.551 2 3 -15.5913132186818 4824485 C1COC2=C(C=C(C=C2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)O)OC1 1 2.192 3 4 0 -3.10868167308191 4824402 CC1CC2=CC=CC=C2N1CC(=O)NC3=CC4=C(C=C3)OCCCO4 1 2.929 2 3 -10.9546169891053 4824386 COC1=CC(=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])OC 1 3.286 2 7 0 -15.4260623844451 4824368 CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-] 1 2.381 4 6 0 -18.9182710556309 4843293 COC1=CC=C(C=C1)CNC(=O)CSC(=S)N2CCCC2 1 3.292 2 2 -14.1319986590442 4824154 C1CN(CCN1C(=O)COC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(S3)Cl 1 1.787 3 4 0 -15.7565138948348 4843260 CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)NC3=C(C=CS3)C(=O)N)C(=O)OC 1 2.206 4 4 0 -23.6028511004359 4843247 COC1=CC=CC=C1CNC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O 1 1.987 1 5 0 -12.8011732833175 4843228 CC1=C(C(=NN1CC(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C)[N+](=O)[O-] 1 0.179 5 7 0 -19.4072334244285 4843201 C1CN(CCC1C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl 1 3.206 4 6 0 -8.88374867073843 4843194 COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)CN2C(=O)C3CC=CCC3C2=O)C(=O)OC 1 0.489 2 9 0 -14.9960471660611 4843192 COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCOCC2)S(=O)(=O)N3CCOCC3 1 -0.573 2 8 0 -27.1362684231698 4843093 C1=CC(=CC=C1NC(=O)CCC(=O)C2=CC=C(S2)Cl)S(=O)(=O)N 1 1.687 2 4 0 -9.34862089860537 4843071 CN(CC(=O)NC1=CC=CC=C1SC)C(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.919 4 4 0 -13.8576197195795 4843068 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CSC2=NC(=CC(=N2)N)N 1 1.543 6 2 0 -16.6996773393946 4843066 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CNC(=O)C2=CC=CO2 1 0.159 3 5 0 -18.5186706294133 4843050 COC1=CC=CC=C1OCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.486 2 6 0 -24.8317867057181 4843002 CC(C)(C)NC1=C2C=C(SC2=NC=N1)C3=CC=CC=C3 1 4.201 3 0 -1.26339934327298 4842958 CC(C)C(C)NC(=O)COC1=NC2=CC=CC=C2N=C1N(C)C3CCCCC3 1 4.385 4 2 -10.6742830636687 4842934 CC(C(=O)NCC(C1=CC=CO1)N(C)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 0.444 4 5 0 -18.3291268097646 4842920 CC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=NN=CN3C 1 2.512 4 1 -12.6813279963695 4842861 CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 2.674 2 9 0 -18.7287363587475 4842874 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32 1 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CC1=C(C=C(C=C1)Cl)NC(=O)CON=C(C2=CC=CC=C2)N 1 2.725 3 2 -1.98322974194349 4842829 CC1=CC=CC=C1NC(=O)CON=C(C2=CC=CC=C2)N 1 2.061 3 2 -5.14103771782319 4842789 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 2.001 3 7 0 -21.2087399478457 4842771 CC(C(=O)NCC(C1=CC=CO1)N2CCCCC2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 1.362 4 5 0 -24.4859765864037 4842756 C1CN(CCN1C(=O)CNC(=O)N)S(=O)(=O)C2=CC=C(S2)Cl 1 -0.741 4 4 0 -16.6666878827066 4842745 CC1=CC(=CC(=C1C)C)S(=O)(=O)NC2=C3C4=C(CCC4)SC3=NC(=N2)CN5CCOCC5 1 4.174 4 3 0 -10.4888082200653 4842743 C1CC2C(=O)N(C(=S)N2C1)C3=CC=C(C=C3)Cl 1 3.512 2 1 4.63188977491599e-002 4842742 COC1=CC=C(C=C1)N2C(=O)C3CCCN3C2=S 1 2.831 2 2 -2.1886460019818 4842643 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N 1 -0.307 5 5 0 -23.4144150464885 4842542 C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)SCC(=O)N3)C(=O)N 1 0.201 3 3 0 -14.0248478490866 4842537 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CSC3=NC(=O)C(=NN3)C 1 1.611 5 3 0 -24.3417539144833 4842460 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CN1C2=C([C@H]3[C@H](COC4=C3C5=CC=CC=C5C=C4)CO2)C(=O)N(C1=O)C 1 2.189 2 4 -8.39986670575205 6609993 CC1=CC=C(C=C1)[C@@H]2CC=C([C@@H](N2S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C(=O)O 1 5.341 1 4 -9.16355987666473 6604858 COC(=O)[C@@H](C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.597 2 3 -16.0804092430144 6604561 CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C(N)N.CS(=O)(=O)O CS(=O)(=O)O 1 2.188 3 4 0 -13.9619757936422 6604471 CC(C)SC1=CC2=C(C=C1)N=C(N2)NC(=O)OC 1 2.918 3 2 -1.46369723640649 6604218 COC1=CC=CC=C1OC[C@@H](CO)O 1 0.747 0 4 0 -6.32584391881141 6604199 C[C@H]1C[C@H](C(=O)[C@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C 1 0.933 1 4 0 -6.22811812660247 6604176 CC1=C(C2=C3N1[C@@H](COC3=CC=C2)CN4CCOCC4)C(=O)C5=CC=CC6=CC=CC=C65.CS(=O)(=O)O CS(=O)(=O)O 1 4.444 2 3 -1.11345485905833 6604126 CS(=O)(=O)O.C1CCC(CC1)(C2=CC(=CC=C2)N=C=S)N3CCCCC3 CS(=O)(=O)O 1 5.294 2 0 4.10710776592655e-002 6604102 COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)[C@H]4COC5=CC=CC=C5O4)N)OC 1 1.865 5 5 0 -4.3452439728098 6604076 CS(=O)(=O)O.C1CCC(C1)N2C=NC3=C2N=CN=C3N CS(=O)(=O)O 1 1.166 5 0 0 -6.30785115025739 6603931 CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C#N 1 3.863 6 4 0 -10.2735345557161 6603901 CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=C(C=C2)OCC(=O)O 1 3.869 0 7 0 -6.90352046349329 6603900 CCCCOC(=O)NS(=O)(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CN3C(=NC4=C3N=C(C=C4C)C)CC 1 7.372 4 4 0 -6.81295926318988 6603827 C1=CC=C(C=C1)C(CCNCC(=O)N)C2=CC=CC=C2 1 2.282 2 1 -7.3984090327219 6603822 CCCCCCCCCCCCCCC[C@@H]([C@@H](CO)N)O 1 5.134 1 2 -4.12099665436748 6603792 C1CCC(C1)N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5 1 5.022 4 1 0.276478902079106 6603782 CCCN(CCC)C(=O)CC1=C(N=C2N1C=C(C=C2Cl)Cl)C3=CC=C(C=C3)Cl 1 6.132 3 1 -4.57635043370867 6603748 C1CN=C(N1)C2=CC3=C(O2)C=CC(=C3)SC#N 1 2.186 3 1 -3.82503648778099e-003 6603717 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)N)Cl 1 2.356 2 2 -0.3405818943006 6603710 CCS(=O)(=O)NC1=CC=CC(=C1)C(=C2CCCCC2)C3=CN=CN3 1 3.144 3 2 -0.365499526894988 6603686 CC1CCCC(N1CC2=CN3C=CC=CC3=N2)C.Br Br- 1 2.531 3 0 -7.28530438728319 6603685 CNC(=NC)SCC1=NC(=O)C2=C(N1)C=CS2.Cl Cl- 1 1.304 4 1 0 -9.60886169475164 6603684 C1CCC(CC1)N2CCN(CC2)CC#CCN3C(=O)C4=CC=CC=C4C3=O.Cl Cl- 1 3.407 3 2 1.03948952911717 6603683 C1CN(CCN1C/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3.Cl Cl- 1 2.742 2 2 -6.62105061235736 6603682 CC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3CCCCC3)O.Cl Cl- 1 3.743 2 2 0.986815804692968 6603681 CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NCC3CCCCC3)C.Cl Cl- 1 4.17 3 1 -2.52642488528022 6603680 CC1=CC2=C(C=C1)N=C(C=C2OCC(=O)O)C.Cl Cl- 1 2.25 1 3 -2.32658309376484 6603679 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(O4)CN5C=C(C=N5)Cl.Cl Cl- 1 2.923 4 4 0 -4.18981863046727 6603678 CC1=C(C(=NN1)C)CCCCCOC2=C(C=CC=C2OC)OC.Cl Cl- 1 3.926 2 3 -0.503708212635686 6603677 CC1CC(NCC2=CC=CC=C12)(C)C.Cl Cl- 1 2.732 1 0 -3.28951535451312 6603676 CC1=CC(=C(C=C1)N2C(=NC(=NC23CCCC3)N)N)C.Cl Cl- 1 2.866 5 0 8.81483971378346 6603675 CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)N3CCN(CC3)C.Cl Cl- 1 2.672 3 3 0.493154153221381 6603674 CCCCC(C1=NN=NN1C2CCCC2)N3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 3.005 6 2 0 -27.7064529454223 6603672 C1CN2CCC1C(=O)C2CC3=CC=C(C=C3)OCCOC4=CC=CC=C4.Cl Cl- 1 3.864 1 3 -1.52840241362271 6603670 C1CN(CCN1CC(COCC2COC3=CC=CC=C3O2)O)C4=CC=CC=N4.Cl Cl- 1 2.159 3 4 0 -1.86424553880231 6603669 CCN1CCN(CC1)CC(COCC2=CC=CC=C2)O.Cl Cl- 1 1.568 2 2 0 -5.13378150779161 6603668 CN1CCCC(C1)OC(=O)COC2=CC=CC=C2.Cl Cl- 1 2.149 1 3 -3.60637977805373 6603666 C1CC(CC=C1)COCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O.Cl Cl- 1 2.303 2 3 -5.37076559098106 6603665 CC1=CC=C(O1)CN(C2CC(NC(C2)(C)C)(C)C)C(=O)C3=C(C=CC=C3F)F.Cl Cl- 1 3.305 2 2 -6.36311617937395 6603664 CC1=C(C=C(C=C1)NC(=O)CCN2CCN(CC2)C/C=C/C3=CC=CC=C3)C.Cl Cl- 1 4.185 3 1 1.98407532998644 6603663 CCCCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)OCC.Cl Cl- 1 2.477 3 4 0 -8.26062307650059 6603661 CCCC1=C(N=C(NC1=O)SCCN(CCC)CCC)O.Cl Cl- 1 4.136 3 2 -12.8089725596092 6603660 C1CCC2=C(C1)N(C(=N)S2)CC3=CC=CC=C3.Cl Cl- 1 3.343 2 0 -4.80390612859632 6603658 CC(C)(C)C1=CC(=C(O1)CN2CCCCC2)C(=O)O.Cl Cl- 1 0.289 1 3 0 -1.85383564665911 6603657 CCN1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4.Cl Cl- 1 1.636 3 6 0 -30.2315996603501 6603656 CC(C)C(C1=NN=NN1CC2=CC=CO2)N3CCN(CC3)C4CCCC4.Cl Cl- 1 2.859 6 1 0 -11.6287335526754 6603655 CC1=C(C(=NN1)C)CCN.Cl Cl- 1 0.129 3 0 0 -1.61567514563021 6603654 COC1=C(C=C(C=C1)C2C3=CC=CN3C4=C(CN2)C=CC5=C4OCO5)OC.Cl Cl- 1 3.529 2 4 -9.45195504147029 6603653 C1C2=C(C3=C(C=C2)OCO3)N4C=CC=C4C(N1)C5=CC6=C(C=C5)OCO6.Cl Cl- 1 3.33 2 4 -7.0215053135455 6603652 CCN1CCC2(C1)CCNC2.Cl Cl- 1 0.362 2 0 0 1.33193639259831 6603651 C1CCN(CC1)CC(CN2C3=CC=CC=C3N=C2C(F)(F)F)O.Cl Cl- 1 3.445 3 1 2.24642034851872 6603650 COC1=CC(=C(C=C1)NC2=NCC(=O)N2C3=CC=CC=C3F)OC.Cl Cl- 1 2.632 3 3 -2.59798252796248 6603649 CCNCCNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CC)O.Cl Cl- 1 1.474 3 3 0 -3.28559246432432 6603648 CN1CCN(CC1)C(=O)N2CCNC2=O.Cl Cl- 1 -0.663 4 2 0 -9.38713006002372 6603646 CN1CCN(CC1)C(C2=CC=CC=C2)C3=NN=NN3CCOC.Cl Cl- 1 0.952 6 1 0 -17.5091284516166 6603645 CCN(CC)CCCOC1=NC(=NC2=C1OC3=CC=CC=C32)C.Cl Cl- 1 3.36 3 2 4.59266766646463 6603644 C1CCN(CC1)CC(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O.Cl Cl- 1 3.068 2 3 -9.44255445317999 6603640 CCC1=NC2=C(C(=N1)OCCN(CC)CC)OC3=CC=CC=C32.Cl Cl- 1 3.964 3 2 6.21998962790909 6603639 CCN(CC)CCCN(C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)C(=O)C.Cl Cl- 1 2.966 3 3 -5.33551970117474 6603637 CCOC(=O)C1CC2=CC=CC=C2CN1.Cl Cl- 1 1.633 1 2 0 -5.22139953454006 6603636 CC(C)CCC(C)NCC(=O)NC1=CC(=CC=C1)OC.Cl Cl- 1 2.818 2 2 -7.12166908798543 6603635 C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CCO.Cl Cl- 1 2.203 3 1 1.15538159089785 6603634 C1=CC=C(C=C1)NC(=O)CC2=CC=CC=N2.Cl Cl- 1 1.927 2 1 0 -6.64931678864231 6603633 CN=C1C2=CC3=C(N2CCN1C)C=CC(=C3Br)OC.Cl Cl- 1 2.845 3 1 3.11546982245249 6603632 C1CC(C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 2.334 2 1 -1.1092844283983 6603631 C=CCN1C(=O)CN=C1NCC2=CC=CC=C2.Cl Cl- 1 1.506 3 1 0 -7.20813034632167 6603630 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CCCCC2)O)C3=CC=CC=C3.Cl Cl- 1 3.554 2 3 -8.2535133518956 6603629 C1CC2=CC=CC=C2N(C1)CC3=NN=NN3CCC4=CC=CC=C4.Cl Cl- 1 3.514 5 0 -26.1125720729622 6603628 COC(=O)CC1=NC2=CC=CC=C2N1.Cl Cl- 1 1.642 2 2 0 -4.70763837570577 6603627 CC1(C(=O)N(C(=O)N1)CC(CN2C3=CC=CC=C3N=N2)O)C.Cl Cl- 1 0.79 5 3 0 -11.1217763524235 6603625 CCN1CCN(CC1)C(C2=CC=CC=C2OC)C3=NN=NN3C4CCCCC4.Cl Cl- 1 3.274 6 1 0 -22.6021210129376 6603623 CCOC(=O)C1CCCN(C1)C2CC(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F.Cl Cl- 1 2.769 2 4 3.75338920193406 6603622 C1COCCN1CC(COC2=C(C=C(C=C2Br)Br)Br)O.Cl Cl- 1 3.374 1 3 -1.32966996626965 6603621 C1=CC=C(C(=C1)CSC2=NN=C(O2)CCCCCN)Cl.Cl Cl- 1 3.316 3 1 -15.0877049621095 6603620 COC1=CC=CC=C1N2CCN(CC2)CCCCOC3=CC=C(C=C3)F.Cl Cl- 1 4.413 2 2 5.12944903088887 6603619 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)OCCN(C)C.Cl Cl- 1 2.452 2 3 -1.96244185291464 6603617 CC1(CC2=C(CS1)SC3=C2C4=NCCN4C=N3)C.Cl Cl- 1 2.105 3 0 -10.5177990945745 6603616 C1CCC(CC1)N2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F.Cl Cl- 1 3.605 3 1 -1.30157681866429 6603615 CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CN4CCN(CC4)C5=CC=CC(=C5C)C.Cl Cl- 1 4.63 4 1 4.38146848146975 6603614 CC1=CC=C(C=C1)SC2=C(C=C(C(=C2)OC)N)OC.Cl Cl- 1 3.655 1 2 3.20425847276223 6603613 C=CCN1C2=CC=CC=C2N(C1=N)CC(=O)O.Br Br- 1 1.257 3 2 0 -10.8681043318035 6603612 CC1=CC=CC(=C1NC2=CC(=O)CC(C2)(C)C)C#N.Cl Cl- 1 3.068 2 1 -14.4976387034096 6603611 CCCCC1=CC2=C(C=C1)NC=C2CCN.Cl Cl- 1 3.405 2 0 -3.8608287685079e-002 6603608 C1CN(CC2=CC=CC=C21)CC3=NN=NN3CC4=CC=C(C=C4)F.Cl Cl- 1 2.854 5 0 -19.0638596349973 6603607 COC1=CC2=C(C=C1)N=C(N2)N3CCCC3.Cl Cl- 1 1.874 3 1 0 1.34406328918487 6603606 CC1CN(CC(O1)C)CCC(=O)NC2=CC=CC(=C2)C.Cl Cl- 1 2.133 2 2 -7.07693701895633 6603605 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)[C@H](CC3=CNC4=CC=CC=C43)N)C.Cl Cl- 1 3.529 5 2 0 -18.5612444144182 6603604 C1CN(CCN1CC(=O)NC2=CC=CC=C2N3C=CC=C3)C4=NC=CC=N4.Cl Cl- 1 1.584 6 1 0 -3.93010649349596 6603602 COC1=C(C=C(C=C1)CN(CCN2CCOCC2)C(=O)C3=C(C=CC=C3F)F)OC.Cl Cl- 1 3.032 2 4 -11.5804594612965 6603601 CC1=CC=C(C=C1)OCC(=O)NCCN2CCCC2.Cl Cl- 1 1.959 2 2 0 -7.95741861099573 6603600 CC1=CC(=CC=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CCN4CCCCC4)O.Cl Cl- 1 3.822 4 2 -2.88489314340372 6603599 C1=CC=C(C(=C1)CSC2=NN=C(O2)CCN)F.Cl Cl- 1 1.623 3 1 0 -15.4889721157068 6603598 CC(C)(C)N(C)CCOC(=O)C1=CC(=CC=C1)Br.Cl Cl- 1 3.503 1 2 -3.84608845712233 6603597 CCCOC1=CC=CC(=C1)CN2CCCCC2C3=CN=CC=C3.Cl Cl- 1 4.138 2 1 3.82779743097627 6603596 C1CCN(CC1)CCN/C(=C\2/C(=O)C3=CC=CC=C3NC2=O)/O.Cl Cl- 1 1.598 3 3 0 -8.62130062723437 6603595 C1CCC(CC1)N2CCN(CC2)CC(=O)NC3=CC=CC=C3N4CCCCC4.Cl Cl- 1 3.851 4 1 -2.79091909249889 6603594 C1CN(CCC1C(=O)N)CC2=NN=NN2CC3=CC=CO3.Cl Cl- 1 -0.354 6 2 0 -16.2069682984963 6603593 CC1(CC2=CC(=C3C(=C2C(=O)C1)C4=CC=CC=C4N3)N5CCN(CC5)C)C.Cl Cl- 1 4.422 3 1 -2.11641492724149 6603592 C1C2=CC=CC=C2N3C=CC=C3C(N1)C4=CC=CC=C4.Cl Cl- 1 3.794 2 0 -7.80449412883288 6603591 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCN(CC3)C)O)C)C.Cl Cl- 1 2.247 3 4 0 -5.40021779065888 6603590 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)OCC(=O)N4CCN(CC4)CC5=CC=CC=C5.Br Br- 1 3.494 4 3 0 -6.48032245189858 6603589 CC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O.Cl Cl- 1 2.49 2 5 0 -6.26565724318726 6603588 CC1CCCC(N1CC(COC2=CC=C(C=C2)C(=O)C)O)C.Cl Cl- 1 2.853 1 3 -11.3393028883646 6603587 CC1=CC(=C(S1)C)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 2.44 2 2 -9.88989144646753 6603586 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCCCCC3)O)C)C.Cl Cl- 1 3.664 2 4 -7.3945928810237 6603584 CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)OCCN(C)C)C=C1.Cl Cl- 1 4.228 3 4 0 -2.45564846673595 6603583 CC1=CC=C(S1)CNC2=CC=C(C=C2)N3CCN(CC3)C(=O)C.Cl Cl- 1 2.486 3 1 -0.772278525033583 6603582 CC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CCO)O.Cl Cl- 1 0.599 2 4 0 -5.80090215840267 6603581 CC(=O)C1=CC=C(C=C1)OCC(CN2CCOCC2)O.Cl Cl- 1 0.869 1 4 0 -10.0742602146389 6603580 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(NN=C2C)C.Cl Cl- 1 0.495 3 4 0 -15.8813791332015 6603579 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CC=CO3.Cl Cl- 1 2.647 2 2 2.20326354784012 6603578 CN1CCN(CC1)CC(COCC2=CC3=C(C=C2)OCO3)O.Cl Cl- 1 0.987 2 4 0 -3.7850531718505 6603577 C=CCN1C2=CC=CC=C2N=C1N.Cl Cl- 1 1.963 3 0 0 -0.120416310527706 6603576 CC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)C(CNC)O.Cl Cl- 1 2.775 1 3 -6.94743944338537 6603575 COC1=CC=C(C=C1)N2C(=NC(=NC23CCCC3)N)N.Cl Cl- 1 1.877 5 1 0 6.31544079304872 6603574 CC1=C(C2=CC(=C(C=C2C(=N1)C)OC)OC)C#N.Cl Cl- 1 1.999 2 2 0 -5.21825092936064 6603573 CC1CC(C(CN1C)C)NCCC2=CC(=C(C=C2)OC)OC.Cl Cl- 1 2.593 2 2 -4.63693980829325 6603572 CC1=C(C(=C(O1)C(C)(C)C)CN2CCCC2)C(=O)O.Cl Cl- 1 -0.1 1 3 0 -0.292216937734424 6603571 C1CCN(CC1)CCNC2=NC=NC3=C2C=NN3C4=CC=CC=C4.Cl Cl- 1 2.607 6 0 2.62707127110443 6603570 CCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CO3.Br Br- 1 2.682 3 2 -4.33813750168817 6603569 CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)S(=O)(=O)C4=CC=C(C=C4)F.Cl Cl- 1 2.976 2 2 -1.44865986228427 6603568 CCN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCCN(CC)CC.Cl Cl- 1 1.613 4 2 0 -15.6003283758223 6603567 C1CN=C2N(C1)C3=CC=CC=C3N2CC(COC4=CC=C(C=C4)Cl)O.Cl Cl- 1 3.032 3 2 -7.86423246140718 6603566 CN(C)CCNC(=O)C(C(=O)C1=CC=CC=C1)N2C=CC=CC2=O.Cl Cl- 1 0.685 3 3 0 -9.51912811582334 6603565 CC(C)(C)N1C(=NN=N1)C(C2=C(C=CC(=C2)OC)OC)N3CCC4=CC=CC=C4C3.Cl Cl- 1 3.682 5 2 0 -13.40282053791 6603564 C1CC(OC1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3.Cl Cl- 1 1.825 3 2 0 -15.7322366053403 6603563 CC(C1=CC=CC=C1)NC2=NCCC2.Cl Cl- 1 1.85 2 0 0 -5.41224756009777 6603562 C1CCC2=NN=C(N2CC1)CC3=NC(=CS3)C4=CC=C(C=C4)OC(F)F.Br Br- 1 4.402 4 1 -1.97488388886425 6603561 C1COCCN1CC#CCOCC2=CC=CC=C2.Cl Cl- 1 2.05 1 2 -3.33575326783947 6603559 CCOC1=CC=CC=C1N=C2N(CCCS2)C.I I- 1 2.831 2 1 -8.02091138212746 6603557 CC1CCCCN1CC(COC2=C(C=C(C=C2)CC=C)OC)O.Cl Cl- 1 3.727 1 3 -12.9206144406445 6603556 C1CCN(CC1)CCN2C3=CC=CC=C3N4C2=NCC4.Cl Cl- 1 2.239 4 0 -7.22726430456954 6603555 CC1=NC2=C(S1)C=C(C=C2)NC3=NCCCCC3.Br Br- 1 2.723 3 0 -3.54126564128932 6603554 CN1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F.Cl Cl- 1 2.308 2 1 1.72948737610787 6603553 CCOC(=O)C1CCCN(C1)C2=NC=NC3=C2OC4=CC=CC=C43.Cl Cl- 1 2.875 3 3 -0.347054593861555 6603552 CC1(CC2=C(CO1)SC3=C2C4=NCCN4C=N3)C.Cl Cl- 1 1.361 3 1 0 -16.027962017965 6603551 C1CN(CCN1C(C2=CC=CC=C2Cl)C3=NN=NN3CC4=CC=CO4)C(=O)C5=CC=CO5.Cl Cl- 1 2.832 6 3 0 -19.2422043821388 6603550 CC12CCCCN1CCCC3=C2NC4=CC=CC=C34.Cl Cl- 1 4.17 2 0 -2.98652739391595 6603549 C1=CC(=CC(=C1)F)C(=O)NC2=C(C=CC=N2)Cl.Cl Cl- 1 2.873 2 1 -3.44339648727183 6603547 C1CCCN(CC1)CCCCN2CCCCCC2.Cl Cl- 1 3.847 2 0 1.68388161333918 6603546 CC1=CC2=C(C=C1)N(C(=O)C2CCN)CC3=CC=CC=C3.Cl Cl- 1 2.498 2 1 -0.800492997034734 6603545 C1C2CC3(CC1CC(C2)(C3)O)N.Br Br- 1 0.155 1 1 0 -1.07208680126155 6603544 CCC1=NC2=C(C(=N1)NCCN3CCOCC3)OC4=CC=CC=C42.Cl Cl- 1 2.307 4 2 1.49284173580797 6603543 C[C@@]1(C2C[C@H]3[C@@H](C(=O)/C(=C(/N)\O)/C(=O)[C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)N(C)C)O.Cl Cl- 1 7.8e-002 2 8 0 -0.529938009024456 6603541 CCC1=NC2=C(C(=N1)N3CCCC(C3)C)OC4=CC=CC=C42.Cl Cl- 1 3.923 3 1 3.93170791792515 6603540 C1C[C@H](NC1)C2=NN=C(O2)SCC3=CC(=C(C=C3)Cl)Cl.Cl Cl- 1 3.527 3 1 -10.669874249508 6603539 C1COCCN1CC(COC2=CC=C(C=C2)Br)O.Cl Cl- 1 1.877 1 3 0 -4.67556243383686 6603538 C1CCC(=NCC1)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3.Br Br- 1 3.17 3 1 -2.22042532183236 6603537 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(CNCC3=CC=CO3)O)Cl.Cl Cl- 1 1.14 2 6 0 -19.484103291222 6603536 CC(C(=O)NCCN(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2.Cl Cl- 1 1.612 3 2 0 -9.79574860400267 6603535 C1CN2CC(C1C=C2)C3=CC=CC=C3.Cl Cl- 1 2.043 1 0 0.461227895493799 6603534 CCCC(CCN1CCOCC1)(C2=CC=C(C=C2)Br)O.Cl Cl- 1 3.076 1 2 -1.92719839854961 6603533 C1CN(CCN1CC(COC2=C(C=C(C=C2F)Br)F)O)C3=CC=C(C=C3)F.Cl Cl- 1 4.435 2 2 2.37760099785536 6603532 CCOC(=O)CN1C2=CC=CC=C2N(C1=N)CC3=CC=CC=C3.Br Br- 1 2.798 3 2 -3.96224759581634 6603531 CC1CC2=CC=CC=C2C(=N1)C.Cl Cl- 1 2.282 1 0 0.83432257539971 6603530 COC1=CC=C(C=C1)C(CCC2=CC=CO2)N.Cl Cl- 1 2.282 1 2 -1.80907560062506 6603529 COC1=C(C=C(C=C1)C2=CSC(=N2)CC3=NN=C4N3CCCCC4)OC.Br Br- 1 3.564 4 2 -7.51510448060447 6603528 CC1=C(SC=N1)CCOC(=O)C2=CN=CC=C2.Cl Cl- 1 1.182 2 2 0 -13.7721115492074 6603527 CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)N3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 3.292 3 3 -10.7651718584344 6603526 C1COCCN1C(CNC(=O)C2=CC3=CC=CC=C3O2)C4=CC=CS4.Cl Cl- 1 2.918 2 3 -7.45012628288577 6603525 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(S3)Br.Cl Cl- 1 3.378 2 2 -4.7661495065845 6603524 CC1=C(OC(=[N+]1[O-])C2=CC=CC=C2)C.Cl Cl- 1 1.236 1 2 0 2.16840745983186 6603522 CN1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4.Cl Cl- 1 1.287 3 6 0 -30.0553243772977 6603521 CN1CCC2=C(C1)C3=C(N2)C=CC(=C3)OC.Cl Cl- 1 2.26 2 1 4.67610978564356 6603520 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=NC=CN2C)C(C)C.Cl Cl- 1 2.029 3 2 -3.93732977405278 6603519 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)N(C)C)CCN3CCOCC3)O.Cl Cl- 1 0.7 3 4 0 -23.2298899499663 6603518 CN1CCN(CC1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)OC.Cl Cl- 1 1.522 4 2 0 -2.10586488190778 6603517 C1COCCN1CCCNC(=O)C2=COC3=CC=CC=C3C2=O.Cl Cl- 1 0.445 2 4 0 -7.27106544071049 6603516 C1CN(CC2=CC=CC=C21)CC(COC3=CC4=C(C=C3)OCO4)O.Cl Cl- 1 2.867 1 4 -9.14574387615472 6603514 CC1=CN2C=C(N=C2C=C1)C3=CC=CC=C3.Br Br- 1 3.003 2 0 1.55094255966947 6603513 C1CCC2=C(C1)C(=N)C3=C(N2CC4=C(C=C(C=C4)Cl)Cl)CCC3.Cl Cl- 1 5.532 2 0 -3.23873196967501 6603511 CC1=NC2=CC=CC=C2C(=N1)NCCCN3C=CN=C3.Cl Cl- 1 1.023 5 0 0 3.28182444416567 6603510 CCOC(=O)N1CCN(CC1)CCC(=O)C2=CC=C(C=C2)Cl.Cl Cl- 1 2.697 2 3 1.25064185184485 6603509 CC(C)COC1=C(C=C(C=C1)C(=O)C)CN2CCCCC2.Cl Cl- 1 3.736 1 2 -6.84252700751973 6603508 CC1(N=C(N=C(N1C2=C(C=C(C=C2)F)F)N)N)C.Cl Cl- 1 0.724 5 0 0 11.894585291057 6603507 C1C(OC(S1)(N)N)CN2C(=O)C3=CC=CC=C3C2=O.Br Br- 1 1.311 3 3 0 -3.51309942203671 6603506 C1CCCN(CC1)CC(COC2=CC=C(C=C2)OCC(CN3CCCCCC3)O)O.Cl Cl- 1 3.799 2 4 -3.4686141106277 6603505 COC1=C(C(=CC=C1)OC)OCC(CN2CCN(CC2)C3=CC=CC=C3OC)O.Cl Cl- 1 3.021 2 5 0 -2.89489999879824 6603504 CCN(CC)CCOC(=O)C1(CCOCC1)C2=CC=CC=C2.Cl Cl- 1 2.663 1 3 -6.67571731031473 6603503 CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN4CCN5CCCC5C4)C=C1.O.Cl Cl- H2O 1 4.147 4 3 0 -0.852823395251597 6603502 CCC1(CC(OC1=O)CSC2=NC3=CC=CC=C3N2)C(=O)OCC.Cl Cl- 1 3.606 2 4 -5.77948858393439 6603501 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=NC4=C3OC5=CC=CC=C54.Cl Cl- 1 2.814 5 2 0 4.87675492314064 6603500 CCSC1=NN=C(O1)[C@H](CC2=CNC3=CC=CC=C32)N.Cl Cl- 1 2.269 4 1 -9.417017259595 6603499 CC(CN1CCN(CC1)C)OC(=O)C2=CC(=C(C=C2)OC)OC.Cl Cl- 1 2.126 2 4 -8.0911372809215 6603497 COCCN1C(=NN=N1)C(C2=CC=C(C=C2)Cl)N3CCSCC3.Cl Cl- 1 2.092 5 1 -14.6764017566871 6603495 CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)CN3CCCCC3C.Cl Cl- 1 3.767 1 4 -3.715914453249 6603494 C1CN(CCN1CCO)CCSC2=CC=CC=C2.Cl Cl- 1 1.928 2 1 0 2.11958876720478 6603493 CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCN(CC3)C4=CC=CC=C4.Cl Cl- 1 4.332 2 3 5.93571062212332 6603492 C1CCN(CC1)CCOC(=O)C2=CC3=CC=CC=C3O2.Cl Cl- 1 3.336 1 3 1.22546680405501 6603491 COC1=CC=C(C=C1)C(=O)NCCCN2C=CN=C2.Cl Cl- 1 0.825 3 2 0 -6.10016214902303 6603490 CC(C)C(C1=NN=NN1CCOC)N2CCC(CC2)CC3=CC=CC=C3.Cl Cl- 1 3.26 5 1 -13.0695681308278 6603489 C1CCN(C1)CC(=O)NCC2(CCOCC2)C3=CC=CC=C3.Cl Cl- 1 1.566 2 2 0 -20.314219523171 6603488 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N4C2=NCCC4.Cl Cl- 1 3.315 3 0 -5.43991241547553 6603487 CCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C(C)(C)C.Br Br- 1 3.616 3 1 -5.01446107031023 6603486 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Br)NCCCO.Br Br- 1 2.956 3 2 -3.40269990543107 6603485 CCN(CC)C(=O)CSC1=NN=C(O1)[C@H](CC2=CC=CC=C2)N.Cl Cl- 1 1.59 4 2 0 -18.7697030834235 6603484 CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2CCN(CC2)C3=CC=CC(=C3)C.Cl Cl- 1 3.736 3 3 -2.82534464100091 6603483 CN1C(=NN=C1SC)C2CCNCC2.Cl Cl- 1 0.834 4 0 0 -8.17040177543102 6603481 CCOCC1=CN=C(N=C1NCC(=O)C2=C(N(C3=C2C=C(C=C3)OC)C)C)C.I I- 1 1.919 4 3 0 -5.54069305219522 6603480 CC(C)COC1=CC(=C(C=C1)C(=O)OCCN2CCOCC2)O.Cl Cl- 1 2.445 1 5 -5.92519957361666 6603479 COC1=C(C=CC(=C1)C(=O)OCCN2CCCCC2)O.Cl Cl- 1 2.482 1 4 -3.20138808961353 6603478 CCOC1=CC(=CC(=C1)CN2CCOCC2)C(=O)C.Cl Cl- 1 1.663 1 3 0 -4.53352690854678 6603476 CCC(C1=NN=NN1C2CCCCC2)N3CCN(CC3)C4CCCC4.Cl Cl- 1 3.632 6 0 -20.280735962773 6603475 CCC12CCCN3C1C4(CC3)C5=CC=CC=C5NC4=C(C2)C(=O)OC.I I- 1 3.116 2 2 -4.09538315516572 6603474 CCC1=NN=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3OC.Cl Cl- 1 1.971 5 2 0 -11.4635221058874 6603473 CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)C)N3CCCC3.Cl Cl- 1 3.528 5 0 -11.2596180684255 6603472 C1=CC=C(C=C1)/C=C/CSC2=NN=C(O2)CCCCCN.Cl Cl- 1 3.119 3 1 -9.64553234415746 6603471 CC1=CC=C(C=C1)C2=CN3CCCCC3=N2.Cl Cl- 1 3.328 2 0 0.501327451384881 6603470 C1CN(CC(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)CN4CCOCC4.Cl Cl- 1 2.604 2 2 -10.5422927555857 6603469 CC1=CC(=C(C(=C1)C)C(=O)CN2CCOCC2)C.Cl Cl- 1 2.722 1 2 -5.28981275076927 6603468 CC1=CC(=NO1)COC2=CC=CC=C2OCCN3CCN(CC3)C.Cl Cl- 1 2.291 3 3 -3.45904209070271 6603467 CC1=C(C(=CC=C1)NC2=NCC(=O)N2CC3=CC=C(C=C3)OC)C.Cl Cl- 1 3.422 3 2 2.94832036409266 6603465 COC1=CC=C(C=C1)NC2=NCCC(=O)N2CC3=CC=CS3.Cl Cl- 1 2.438 3 2 -4.45940038284988 6603464 CCCC(C1=NN=NN1CC2=CC=CO2)N3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 1.912 6 3 0 -23.3215152109154 6603462 COC1=CC(=C(C=C1)OC)C(C2=NN=NN2CC3CCCO3)N4CCN(CC4)CC=C.Cl Cl- 1 2.026 6 3 0 -25.2167047151875 6603461 CN1CCN(CC1)C(C2=C(C=CC(=C2)OC)OC)C3=NN=NN3CC4CCCO4.Cl Cl- 1 1.409 6 3 0 -20.6109844431286 6603459 CCCC(C1=NN=NN1C2CCCC2)N3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 2.549 6 2 0 -28.0667439194401 6603458 CCCC(C1=NN=NN1CC2=CC=CS2)N3CCN(CC3)C4CCCC4.Cl Cl- 1 3.554 6 0 -17.227890503015 6603457 CCC(C1=NN=NN1CCOC)N2CCN(CC2)C(=O)C3=CC=CO3.Cl Cl- 1 0.56 6 3 0 -24.2354645196718 6603455 CC1=CC=C(C=C1)SCC2=CN3C(=CSC3=N2)C.Br Br- 1 3.41 2 0 5.40196427254098 6603453 CCCCOC(=O)CCC1=NC2=CC=CC=C2N1.Cl Cl- 1 3.005 2 2 -8.03655256553466 6603452 C1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CS3.Cl Cl- 1 2.072 3 2 -15.2301087211014 6603451 CCCC(C1=NN=NN1CCOC)N2CCN(CC2)C3=CC(=CC=C3)OC.Cl Cl- 1 2.353 6 2 0 -17.6897391475747 6603450 CC1=C(C2=C(N1C)C(=O)C3=C2C=C(C=C3)Br)CN(C)C.Cl Cl- 1 3.481 2 1 5.82100884283659 6603449 C1=CC=C(C(=C1)CNCCNC(=O)C2=NON=C2N)OCC3=CC=CC=C3F.Cl Cl- 1 2.022 5 3 0 -14.0060562016929 6603447 CC(CN1CCCC1)OC(=O)COC2=CC=CC=C2.Cl Cl- 1 2.497 1 3 -5.38237104369565 6603446 CCOC(=O)NC1=CC2=C(C=C1)S(=O)C3=CC=CC=C3N2C(=O)CCN4CCOCC4.Cl Cl- 1 1.963 3 5 0 -8.55132753076098 6603445 C1CCC(C1)N2CCN(CC2)CC3=NN=NN3CC4=CC=CO4.Cl Cl- 1 1.531 6 1 0 -12.1866571523209 6603444 C1CN2C3=CC=CC=C3N(C2=N1)CC(C4=CC5=C(C=C4)OCO5)O.Cl Cl- 1 2.024 3 3 -6.18319732520609 6603443 COC1=C(C=C(C=C1)CCNCC2=CSC3=NC4=CC=CC=C4N23)OC.Cl Cl- 1 3.691 3 2 -2.64827927812938 6603442 CC1CC(C(CN1C)C)(CCN)C2=CC=C(C=C2)OC.Cl Cl- 1 2.348 2 1 -1.02687138970233 6603441 C1=CC(=C(C=C1Cl)Cl)OCC(=O)NCCCN2C=CN=C2.Cl Cl- 1 2.006 3 2 -5.79191749953059 6603440 CCN(CC)CCN/C(=C/1\C(=O)C2=CC(=C(C=C2NC1=O)OC)OC)/O.Cl Cl- 1 1.346 3 5 0 -10.2352681223109 6603439 C1COCCN1CC(COCC2=CC=CC=C2)OC(=O)CC3=CC=CC=C3.Cl Cl- 1 3.027 1 4 -9.47837280612564 6603438 CC1(CC2=C(CO1)SC3=C2C(=N)N4CCCCCC4=N3)C.Cl Cl- 1 2.583 3 1 -20.7786836782496 6603436 CCNCCNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CC=C)O.Cl Cl- 1 1.742 3 3 0 -8.24415667677909 6603435 CCCCCCN1C2=C(CCC2)C(=N)C3=C1CCC3.Br Br- 1 4.405 2 0 -7.19357293349857 6603434 C1=CC(=CC=C1CN2C=CC(=N)C=C2)Cl.Cl Cl- 1 2.187 2 0 2.59536257966331 6603433 CCOC(=O)CN1C2=C(CCC2)C(=N)C3=CC=CC=C31.Cl Cl- 1 2.789 2 2 -9.90381542702891 6603432 C1C2CC3CC1CC(C2)C3(CNCCO)O.Cl Cl- 1 0.818 1 2 0 1.75121364312114 6603431 C1=CC=C(C=C1)CN(CCC(=O)NC2=CC=C(C=C2)Br)CCO.Cl Cl- 1 2.997 2 2 -1.70257728200616 6603430 COC1=C(C=C(C=C1)CCNC2=NC=NC3=C2OC4=CC=CC=C43)OC.Cl Cl- 1 3.73 3 3 1.67941044727834 6603429 C[C@@H](C1=NN=C(O1)SCC2=C(C=C(C=C2)Cl)Cl)N.Cl Cl- 1 2.983 3 1 -10.3457019817155 6603428 CCC1=NC2=C(C(=N1)N3CCCCC3C)OC4=CC=CC=C42.Cl Cl- 1 3.981 3 1 1.91093436368862 6603427 CCNC1=NC(=NC2=C1OC3=CC=CC=C32)C.Cl Cl- 1 2.163 3 1 2.65691889532369 6603426 CCCN1CN(CC2=C1CC(CC2=O)(C)C)CC3=CC=CC=C3.Cl Cl- 1 3.675 2 1 -11.272792297266 6603424 CC1CCN(CC1)C(C2=CC=CC=C2)C3=NN=NN3C(C)(C)C.Cl Cl- 1 3.226 5 0 -15.0436355522029 6603423 C1CCC2=NC=C(N2CC1)C3=CC(=CC=C3)Br.Cl Cl- 1 3.909 2 0 3.98280867846302 6603422 CC(C#CCN1CCOCC1)(C2=CC=CC=C2)O.Cl Cl- 1 1.876 1 2 0 -0.727355629245361 6603421 C1CN(CCN1CCO)CC#CCN2C3=CC=CC=C3C4=CC=CC=C42.Cl Cl- 1 3.676 3 1 5.64039186491832 6603420 CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC(=C(C=C2)C)Br.Cl Cl- 1 2.648 3 3 -3.83688576080588 6603419 CC1(CC(CC(N1)(C)C)CCNC(=O)C2=CC=C(C=C2)N3C=NN=N3)C.Cl Cl- 1 1.631 6 1 0 -22.9762643060958 6603418 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCCNC4=NCCCC4.Cl Cl- 1 1.128 7 2 0 -19.3111923160711 6603417 CCCCOC1=CC=C(C=C1)C(=O)OC(C)CN(C)C.Cl Cl- 1 3.513 1 3 -5.24451412958527 6603416 CCOC1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N.Cl Cl- 1 1.291 5 1 0 9.463843046202 6603415 CC1=CC=CC=C1N2C(=NC(=NC2(C)C)N)N.Cl Cl- 1 1.445 5 0 0 11.8591916577935 6603414 CC1(CC(CCO1)CCNCC2=CC(=C(C=C2)O)OC)C.Cl Cl- 1 2.499 1 3 -1.15054823302572 6603413 CCC(C1=CC=CC=C1)OCC(CN2CCN(CC2)C(=O)OCC)O.Cl Cl- 1 2.372 2 4 -7.76247637889256 6603412 CC1CN(CC(O1)C)CC(COC2=CC=C(C=C2)C(=O)C)O.Cl Cl- 1 1.624 1 4 0 -11.1988179572777 6603411 C1=CC(=CC(=C1)Cl)CSC2=NN=C(O2)CCCCCN.Cl Cl- 1 3.316 3 1 -11.6805036696602 6603410 CC(C)[C@@H](C1=NN=C(O1)SCC2=CC=C(C=C2)Cl)N.Cl Cl- 1 3.161 3 1 -9.85490331386447 6603409 C1CN(CCN1CC(COC2=CC=CC=C2)O)C(=O)COC3=CC=CC=C3.Cl Cl- 1 2.158 2 4 -9.16673226782166 6603408 CC1(CC2=C(C=NC3=CC=CC=C3N2)C(=O)C1)C.Cl Cl- 1 2.322 2 1 -16.025094655976 6603407 COC1=C(C=C(C=C1)C2=CN3C=C(C=CC3=N2)Cl)OC.Br Br- 1 3.149 2 2 -0.948114900101211 6603406 CC(C)N(CC(COC1=CC=CC=C1CC=C)O)C(C)C.Cl Cl- 1 3.902 1 2 -8.46937381069024 6603405 CN(C)CCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3.Cl Cl- 1 2.866 3 1 -4.13569522516031 6603403 C1CN2C(=CSC2=N1)C3=CC=CC4=CC=CC=C43.Br Br- 1 2.738 2 0 0.854161407931983 6603402 CCCOC1=C(C=C(C=C1)N)N.Cl Cl- 1 1.192 2 1 0 1.11258127143884 6603401 C1=CC=C(C=C1)C2=NC3=C(C(=N2)NCC4=CN=CC=C4)OC5=CC=CC=C53.Cl Cl- 1 3.911 4 1 7.3415731640111 6603400 CC(CN1CCN(CC1)C)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl Cl- 1 2.109 2 5 0 -6.37363552580946 6603399 CC(CN1CCCC1)OC(=O)C2=CC(=CC=C2)OC.Cl Cl- 1 2.646 1 3 -5.72087166691694 6603398 CCOCCCNCC(=O)NC1(C2CCC(C2)C1(C)C)C.Cl Cl- 1 1.523 2 2 0 -9.15149840862644 6603397 CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2CCN(CC2)C(=O)OCC.Cl Cl- 1 1.83 3 5 0 -10.1309807836132 6603396 CCOC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)C(C)(C)C)O.Cl Cl- 1 3.518 1 4 -4.40521528981396 6603395 C1=CC(=CN=C1)C(=O)NCCCCNC(=O)C2=CN=CC=C2.Cl Cl- 1 0.235 4 2 0 -10.7894915004839 6603394 CCOC(=O)C(CCSC)NC(=O)CN.Cl Cl- 1 -0.721 2 3 0 -17.8765067104934 6603393 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN3CC4=CC=CC=C4C3=N2.Br Br- 1 2.909 4 2 -6.58084134809402 6603392 C1CCC2=C(C1)N3C=C(N=C3S2)C4=CC=CC=C4.Br Br- 1 3.638 2 0 2.80713214688001 6603391 CN1C=C(C2=CC=CC=C21)C(CN3C(=O)C4CC=CCC4C3=O)N(C)C.Cl Cl- 1 2.685 3 2 -1.06522291586347 6603390 C1CN2CCC1C(C2)NC(=O)COC3=CC=C(C=C3)Cl.Cl Cl- 1 2.074 2 2 0.455022832955904 6603389 CCOC(=O)C1CCCN(C1)C2=NC(=NC3=C2OC4=CC=CC=C43)C.Cl Cl- 1 2.831 3 3 -2.68327631696258 6603388 CC(C(=O)NC1=CC=C(C=C1)Br)NCCOC.Cl Cl- 1 1.522 2 2 0 -8.37450011428661 6603387 C1CCC(CC1)N2CCN(CC2)CC(=O)NC3=CC=CC=C3C4=CC=CC=C4.Cl Cl- 1 4.29 3 1 2.61396049907097 6603384 CCOC(=O)CN1C2=C(CCC2)C(=N)C3=C1CCC3.Cl Cl- 1 2.22 2 2 -11.971825781938 6603383 CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)O.Br Br- 1 2.122 1 2 1.08804511213286 6603381 CC(C)(C)NC(=O)CN1C=CC(=N)C2=CC=CC=C21.Cl Cl- 1 1.612 3 1 0 -17.3074427571524 6603380 CCCN1C2=CC=CC=C2N(C1=N)CC(C3=CC=CO3)O.Cl Cl- 1 2.393 3 2 -3.12637335362565 6603379 C1COCCN1CC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F.Cl Cl- 1 3.212 1 2 -5.32866506567291 6603377 CC1=NC2=C(C(=N1)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C)OC5=CC=CC=C52.Cl Cl- 1 2.77 5 2 0 3.40781133703478 6603376 CC1=CC(=CC=C1)N2C(=NC(=NC23CCCCC3)N)N.Cl Cl- 1 2.836 5 0 8.58004114857464 6603331 CCOC1=C(C2=CC=CC=C2C=C1)CNCCN3CCOCC3.Cl Cl- 1 2.434 2 2 -0.957414141165933 6603332 C1=CC(=CC(=C1)Cl)CN2C=CC(=N)C=C2.Cl Cl- 1 2.187 2 0 2.77098508331298 6603333 COC1=C(C=C(C=C1)CSC2=NCCN2)Cl.Cl Cl- 1 2.885 2 1 -9.27830503073884 6603334 C1CCN(CC1)CC2=C(C=CC3=C2N=CN3)O.Cl Cl- 1 2.094 3 1 5.78088860976441 6603335 CN1CCN(CC1)/C(=C\2/C(=O)C3=C4C(=CC=C3)CCCN4C2=O)/O.Cl Cl- 1 1.772 3 3 0 -2.94257859474804 6603336 C1COC2=C(O1)C=CC(=C2)C3=CSC(=N3)N.Cl Cl- 1 1.813 2 2 0 4.81154565429081 6603337 CC(C)(C)SC1=CN=C(C=C1)N.Cl Cl- 1 1.944 2 0 0 0.848380076162265 6603338 C1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)N.Cl Cl- 1 2.161 4 0 4.22554417887782 6603339 CP(=O)(CCCN)O.Cl Cl- 1 -1.157 1 2 0 -1.1720273119848 6603340 CCN1C2=CC=CC=C2N3C1=NCCC3.Cl Cl- 1 1.595 3 0 0 -6.8203212682711 6603341 CC(C)(C)C(=O)CN1C2=CC=CC=C2N=C1NCCCO.Br Br- 1 2.08 3 2 -5.97852538845063 6603342 CCC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)OC.Cl Cl- 1 1.625 4 3 0 -14.9372680393032 6603343 C=CCC(C1=CC=CC=C1)NC2=CC=CO2.Cl Cl- 1 3.417 1 1 -5.15993455584895 6603375 CN(C)CC1(CCCC1)C2=CC=CC=C2.Cl Cl- 1 3.358 1 0 -4.75050569069224 6603374 CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)Br.Cl Cl- 1 2.162 3 3 -4.00418206096939 6603373 COC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCCCC2.Cl Cl- 1 1.977 2 3 0 -6.50972910156329 6603372 C1OC2=C(O1)C=C(C=C2)C3=CSC(=NC4=CC=CC=C4)N3CCO.Br Br- 1 2.816 2 3 0.282451824513596 6603371 C1COCCN1CCNC2=NC=NC3=C2OC4=CC=CC=C43.Cl Cl- 1 1.685 4 2 0 2.59530072638668 6603370 CC1=NC2=C(C(=N1)NCCN3CCOCC3)OC4=CC=CC=C42.Cl Cl- 1 1.64 4 2 0 1.21255275062002 6603369 COC1=CC(=CC(=C1OC)OC)C(=O)N(CC2CCCO2)CC3=CC=CC=N3.Cl Cl- 1 2.201 2 5 0 -18.1673351479292 6603368 CC(C(=O)C12CC3CC(C1)CC(C3)C2)NCCO.Cl Cl- 1 1.866 1 2 0 1.72964132955822 6603367 C1=CC(=C(C(=C1)Cl)CSC2=NN=C(O2)CCN)F.Cl Cl- 1 2.288 3 1 -15.5797578780922 6603366 CN(C)C(=O)CSC1=NN=C(O1)CCN.Cl Cl- 1 -0.9 4 2 0 -18.9627339741278 6603365 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NCCCN4C=CN=C4.Cl Cl- 1 1.662 5 1 0 6.94189605553607 6603364 CN(C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=COC4=C3C=C(C=C4)OC)O.Cl Cl- 1 3.656 1 5 10.0292258271869 6603363 CCN(CC)CCCNC1CCS(=O)(=O)C1.Cl Cl- 1 0.19 2 2 0 -10.1868218488397 6603362 CCC1=C(C(=CC(=N1)C)N)OCC2=CC=CC=C2.O.Cl Cl- H2O 1 2.732 2 1 -2.68433834004431 6603361 CCOC1=C(C=C(C=C1C)C2=C(C=CC=N2)O)C.Cl Cl- 1 3.689 1 2 2.7718468262112 6603360 C1=CC=C(C(=C1)CSC2=NN=C(O2)[C@H](CC3=CNC4=CC=CC=C43)N)F.Cl Cl- 1 3.709 4 1 -12.5788313546863 6603359 CC1=C(C(=NN1)C)CCNC.Cl Cl- 1 0.561 3 0 0 -6.91696930575364e-002 6603358 CN1CCN(CC1)/C(=C\2/C(=O)C3=C4C(=CC=C3)CCN4C2=O)/O.Cl Cl- 1 1.316 3 3 0 -1.46759956338094 6603357 C1CCN(C1)CCN2C3=CC=CC=C3N(C2=N)CC(C4=CC=CO4)O.Cl Cl- 1 2.12 4 2 -3.70297608785055 6603356 CC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)C4=CC=CC(=C4C)C)C(=O)O.Cl Cl- 1 1.224 4 3 0 2.36962082794767 6603355 CCN(CC)CC(COC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O)O.Cl Cl- 1 3.545 1 4 -7.67684332117472 6603354 COC1=C(C(=CC=C1)OC)OCCN2CCN(CC2)C3=CC=CC=C3OC.Cl Cl- 1 3.532 2 4 3.30802533440645 6603353 CC1=CC(=CC=C1)OCC(=O)OC2CN3CCC2CC3.Cl Cl- 1 2.543 1 3 -0.135011726479252 6603351 CCOC1=C(C=CC=C1OC)CNCCNC(=O)C2=NON=C2N.Cl Cl- 1 0.565 5 4 0 -16.0521783246892 6603350 CCCCN1CCCCC1C(=O)NC2=C(C=C(C=C2C)C)C.Cl Cl- 1 4.796 2 1 -8.10156881944828 6603349 C1CN(CCC1N2C3=C(C=C(C=C3)F)N=N2)CC4=NN=NN4CCC5=CC=CC=C5.Cl Cl- 1 2.948 8 0 0 -25.1996982815857 6603348 C1=CC(=CC=C1CSC2=NN=C(O2)CCN)F.Cl Cl- 1 1.623 3 1 0 -12.9103331140045 6603346 C1CC(C2=CC=CC=C2C1)NCC3=CN=CC=C3.Br Br- 1 2.816 2 0 1.81627515488537 6603345 CCCCCOC1=C(C=C(C=C1)Cl)CN2CCOCC2.Cl Cl- 1 4.024 1 2 1.61396086294271 6603344 CCC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)[C@H](CC3=CNC4=CC=CC=C43)N.Cl Cl- 1 3.499 5 2 0 -18.315112744582 6603330 COC1=CC(=C(C=C1)OC)NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 2.712 3 3 -3.67030355984047 6603327 C1CN(CCN1CC2=NN=NN2CCC3=CC=CC=C3)C(=O)C4=CC=CO4.Cl Cl- 1 1.588 6 2 0 -21.3950569229731 6603324 C1CCC(C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=NN=NN4CC5=CC=CO5.Cl Cl- 1 3.25 6 1 0 -13.9621311746324 6603323 CCC(C1=NN=NN1CC2=CC=CO2)N3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 1.456 6 3 0 -21.7442411175113 6603321 CC1=CC(=C(C(=C1)C#N)NC2=CC(=O)CC(C2)(C)C)C.Cl Cl- 1 3.555 2 1 -14.1486340112988 6603320 CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl Cl- 1 4.945 2 4 -10.058959023982 6603319 C1=CC=C(C=C1)CNCCCNC(=O)C2=CC=NC=C2.Cl Cl- 1 1.136 3 1 0 -7.9133459496455 6603317 CC(C)C(C1=NN=NN1CC2CCCO2)N3CCN(CC3)C4CCCC4.Cl Cl- 1 2.452 6 1 0 -17.7998994900646 6603316 CC(C)N1C(=NN=N1)C(C2=CC=C(C=C2)F)N3CCN(CC3)C4CCCC4.Cl Cl- 1 3.417 6 0 -7.89691091370405 6603314 CN1CCCC(C1)OC(=O)CCCC(=O)OC2CCCN(C2)C.Cl Cl- 1 1.805 2 4 0 -7.73514052181335 6603313 CN1CCCC(C1)OC(=O)CCCCC(=O)OC2CCCN(C2)C.Cl Cl- 1 2.261 2 4 -7.00120174744311 6603312 CCOC(=O)CC(C1=CC=C(C=C1)OC)N.Cl Cl- 1 1.252 1 3 0 -6.49866858517126 6603311 CC1=C(C(=NN1)C)S(=O)(=O)N2CCC(CC2)C(=O)O.Cl Cl- 1 -8.e-002 3 4 0 -14.5402972505676 6603310 CC1=C(OC(=[N+]1[O-])C2=CC=C(C=C2)Cl)C.Cl Cl- 1 1.9 1 2 0 4.46492256673388 6603309 C1C(=NN2C(=NN=C2S1)C3=CN=CC=C3)C4=CC=C(S4)Br.Br Br- 1 3.09 5 0 -2.77212530028833 6603308 CC1=CC2=C(C=C1C)N(C(=N2)C)CCCN.Cl Cl- 1 2.018 3 0 -2.45126096362347 6603307 CC1=C(C(=NC2=NC(=NN12)C)C)CCC(=O)NC(C)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 2.207 5 3 0 -23.1930007280123 6603306 CC(=O)OC(CN1C=CN=C1)C2=CC=CC=C2.Cl Cl- 1 1.374 2 2 0 1.31356844350221 6603305 C1=C(N=CS1)C(=O)O.Br Br- 1 0.343 1 2 0 -3.97881185317928 6603304 CCN(CC)CCOC(=O)C1=CC(=CC=C1)Cl.Cl Cl- 1 3.186 1 2 -1.62469355252034 6603302 CC(C)CCN(C)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F.Cl Cl- 1 2.843 2 2 -15.9375562381964 6603299 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NN4C=CC=CC4=C3.Cl Cl- 1 2.441 4 1 -2.99496009824905 6603298 CC1=CC(=NC(=C1)NS(=O)(=O)C2=CC=C(S2)Br)C.Cl Cl- 1 2.829 2 2 -2.84194939838451 6603297 C1CN(CCN1CC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)Cl.Cl Cl- 1 3.357 3 1 1.08185886374358 6603296 CCN(CC)CC(COC1=CC2=C(C=C1)N(C(=C2C(=O)OCC)C)C)O.Cl Cl- 1 2.988 2 4 -9.05250342529197 6603294 CC1CCN(CC1)CC(C)OC(=O)C2=CC3=C(C=C2)OCCO3.Cl Cl- 1 3.156 1 4 -11.5357140462421 6603293 CC(CN(C)CC1=CC=CC=C1)OC(=O)C2COC3=CC=CC=C3O2.Cl Cl- 1 3.558 1 4 -1.40879984369303 6603292 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CCCN.Cl Cl- 1 2.629 2 1 -1.64577612133121 6603291 CCOC(=O)C1CCCN(C1)CCCC2=CC=CC=C2.Cl Cl- 1 3.492 1 2 -0.980468962244701 6603290 CC1=CC=CC=C1CNC2=NN(C(=N2)N)C3=CC=CC=C3.Cl Cl- 1 3.094 5 0 2.84738456232521 6603289 CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.Cl Cl- 1 4.066 2 0 -1.23335680497306 6603287 CCOC1=CC=CC=C1C2CC(N=C3N2NC(=N3)N)C4=CC=CC=C4.Cl Cl- 1 2.903 5 1 -3.61975304847886 6603286 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4.Cl Cl- 1 3.799 3 2 -1.65988011481287 6603285 C1=CC=C2C(=C1)N(C(=N)N2CCOC3=C(C=C(C=C3)Cl)Cl)CCO.Cl Cl- 1 3.58 3 2 2.13256509289885 6603284 CC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl Cl- 1 2.199 3 3 -5.2800356486583 6603283 CCOC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)C(=O)C)O.Cl Cl- 1 1.857 1 5 0 -10.6980319697219 6603282 CCN1CCN(CC1)CC(COC2=CC=C(C=C2)C(=O)C)O.Cl Cl- 1 1.487 2 3 0 -7.9426821306195 6603281 CC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC=CC=C3)O.Cl Cl- 1 2.722 2 3 -5.26009480186193 6603280 CC1CCCN(C1)CC(COC2=CC=C(C=C2)C(=O)C)O.Cl Cl- 1 2.417 1 3 -8.51548410316565 6603279 CC1CCN(CC1)CC(COC2=CC=C(C=C2)C(=O)C)O.Cl Cl- 1 2.35 1 3 -10.2832432675206 6603278 C1CCN(CC1)CC(COC2=CC3=CC=CC=C3C=C2C(=O)N4CCCCC4)O.Cl Cl- 1 3.598 2 3 -10.3691552831215 6603277 CC(=O)N1C=C(C2=CC=CC=C21)C3=CC=NC=C3.Cl Cl- 1 2.481 2 1 6.26643417364335 6603275 C1C2CC3CC1CC(C2)(C3)NC(=O)CNCCO.Cl Cl- 1 0.447 2 2 0 -5.46906166453415 6603273 C1CC2=C(C1)C=C(C=C2)NC(=O)CN3C=CSC3=N.Cl Cl- 1 1.75 3 1 0 -15.8033095743107 6603271 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC3=NC4=CC=CC=C4N3.Cl Cl- 1 1.746 5 1 0 -9.85651681987668 6603270 C1CN(CCN1CCO)CC(COC2=CC3=C(C=C2)OCO3)O.Cl Cl- 1 0.627 2 5 0 -3.29898036214071 6603269 C1=CC(=CC=C1CCNC(=O)CN2C=CSC2=N)Cl.Cl Cl- 1 1.685 3 1 0 -14.2547767756548 6603268 C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CN4C=CC=NC4=N3.Cl Cl- 1 1.954 7 0 0 -13.7891247669495 6603267 C1CN(CCN1CC#CC2=CC=CC=C2)C3=CC=CC=N3.Cl Cl- 1 3.511 3 0 7.77950728722099 6603266 C1CCN2C(=NC=C2C3=CC=CS3)C1.Cl Cl- 1 2.658 2 0 -0.856911545532671 6603265 C1=CC=C2C(=C1)N=C(O2)SCC3=CN4C=CSC4=N3.Br Br- 1 2.709 3 1 -1.06403329981104 6603264 COC1=CC=C(C=C1)C2=CN3CCCC3=N2.Br Br- 1 2.369 2 1 0.685029545539157 6603262 C1CN(CCN1CC(COC2=CC=CC3=CC=CC=C32)O)C4=CC=CC=N4.Cl Cl- 1 3.367 3 2 -1.58677417748903 6603261 CN1CCC(CC1)N(C)C(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O.Cl Cl- 1 1.368 2 4 0 -6.15567248283952 6603260 CC1CCCC(C1C)NC(=O)CSC2=NC=CN2C.Cl Cl- 1 2.495 3 1 -12.9314012967965 6603259 CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CCO.Cl Cl- 1 1.856 2 2 0 -0.98463533044592 6603258 CC1=CC2=C(C=C1)N3CC(=C4C(=O)OC(OC4=O)(C)C)NC5C3=C2CCC5.Cl Cl- 1 3.126 2 4 0.958013737965904 6603257 CN(C)CCOC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl Cl- 1 3.907 2 2 -6.15966393649441 6603256 CCN(CC)CCOC(=O)C1(CCCC1)C2=CC(=C(C=C2)OC)OC.Cl Cl- 1 3.943 1 4 -6.92469477476528 6603255 CC1(CCC(=O)O1)C(=O)CSC2=NC3=CC=CC=C3S2.Br Br- 1 2.988 1 3 -7.1296885574631 6603254 CC1(CCC(=O)O1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Cl.Br Br- 1 3.233 3 3 -3.91346847425053 6603253 CCCC1CC(=O)OC1(C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3.Br Br- 1 3.801 3 3 -5.19505676210317 6603252 CC1(CCC(=O)O1)C(=O)CSC2=NC=NN2.Br Br- 1 0.665 3 3 0 -11.0820881223971 6603251 C1COCCN1C(C2=CC=CC=C2)C(C3=CC=C(C=C3)F)O.Cl Cl- 1 2.898 1 2 -1.84047188195612 6603250 CC(C)COC1=CC=C(C=C1)C(=O)OC2CC(OCC2CN(C)C)(C)C.Cl Cl- 1 3.417 1 4 -8.62458034532878 6603249 CNC(C(C1=CC=CC=C1)OC)C(=O)C2=CC=CC=C2.OCl(=O)(=O)=O OCl(=O)(=O)=O 1 2.656 1 2 -8.72275814094749 6603248 C1COCCN1C(C2=CC=CC=C2)C(=O)N3CCOCC3.Cl Cl- 1 0.68 2 3 0 -10.5735104096572 6603247 C1CC2=C(C1)N(C3=C(C2=N)CCC3)CC4=CC=CC=C4.Cl Cl- 1 3.747 2 0 -5.51572425447916 6603246 CCCCN1C2=C(CCC2)C(=N)C3=C1CCC3.I I- 1 3.493 2 0 -7.13512332475254 6603245 C1CCC(CC1)N2CC3=C(CC(CC3=O)C4=CC=CC=C4)NC2.Cl Cl- 1 3.368 2 1 -12.1890727761271 6603244 CCN(CC)CC1=C(C=CC2=C1OC(=O)C(=C2C)CC(=O)OC)O.Cl Cl- 1 2.725 1 5 -4.49369017359339 6603243 C1CC2=C(C1)N=CN=C2N.Cl Cl- 1 0.907 3 0 0 -1.97051868212174 6603242 CC1=C(C(=C(C=C1)C)NC2=CC(=O)CC(C2)(C)C)C#N.Cl Cl- 1 3.555 2 1 -16.8907990632774 6603241 C1=CC(=C(C=C1CN2C=CC(=N)C=C2)Cl)Cl.Cl Cl- 1 2.852 2 0 2.33308882269293 6603240 CCCCCCN1C=CC(=N)C=C1.Br Br- 1 2.181 2 0 -1.30517185525472 6603239 CCCCCN1C=CC(=N)C=C1.I I- 1 1.724 2 0 0 -1.24792173771836 6603238 CCN1C=CC(=N)C=C1.Br Br- 1 0.288 2 0 0 0.284939458313654 6603237 CCCC1=C(C(=N)C2=CC=CC=C2N1C)CC.I I- 1 4.017 2 0 -6.51652657927722e-002 6603236 CCN(CC)CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)C)C.Cl Cl- 1 3.15 2 3 -2.40028331703253 6603235 CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2OC4=CC=CC=C43)C5=CC=CC=C5.Cl Cl- 1 4.36 3 3 8.45580912595713 6603234 CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CCCCC3C.Cl Cl- 1 4.17 1 2 -4.54180307448606 6603233 CC(C)C[C@@H](C1=NN=C(O1)S(=O)(=O)CC2=CC=C(C=C2)F)N.Cl Cl- 1 2.075 3 3 -12.1605420543833 6603232 CC(=CCSC1=NN=C(O1)[C@H](CC2=CNC3=CC=CC=C32)N)C.Cl Cl- 1 3.385 4 1 -11.073082459606 6603231 C1COCCN1CCN2C3=CC=CC=C3N=C2NCC4=CC=CC=N4.Cl Cl- 1 1.903 5 1 0 -6.68417383753798 6603230 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=COC(=O)C=C4.Cl Cl- 1 1.634 1 3 0 -9.502274006517 6603229 CC(C)C[C@@H](C1=NN=C(O1)S(=O)(=O)CC2=CC(=CC=C2)F)N.Cl Cl- 1 2.075 3 3 -9.71736171567155 6603228 COC1=CC=C(C=C1)C(=O)OCCNC(=O)C2=C(N=C3N2C=CC=C3)Cl.Cl Cl- 1 2.568 3 4 0 -11.0248429812522 6603227 CCC1=NC2=C(C(=N1)NCCCN3C=CN=C3)OC4=CC=CC=C42.Cl Cl- 1 2.285 5 1 5.83943706495736 6603226 CC1=NC2=C(C(=N1)NCCCN3C=CN=C3)OC4=CC=CC=C42.Cl Cl- 1 1.618 5 1 0 5.55914807976941 6603225 C1COCCN1CC2=CC=C(C=C2)NC3=NC=NC4=C3OC5=CC=CC=C54.Cl Cl- 1 3.196 4 2 7.02463833151529 6603224 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NC4=CC=CC=C4O.Cl Cl- 1 3.193 3 2 9.81387994909682 6603223 COC1=CC=CC=C1NC2=NC=NC3=C2OC4=CC=CC=C43.Cl Cl- 1 3.418 3 2 5.33359694838746 6603222 CC1CN(CC(O1)C)C2=NC=NC3=C2OC4=CC=CC=C43.Cl Cl- 1 2.507 3 2 1.91094067188421 6603221 CCC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)[C@H](CC3=CC=CC=C3)N.Cl Cl- 1 3.205 4 2 -16.5781786852042 6603220 C1=CC=C(C=C1)C[C@@H](C2=NN=C(O2)SCC3=CC=CC=C3F)N.Cl Cl- 1 3.415 3 1 -10.8418972953084 6603218 CC(C)COC(=O)C(C1=CC=CC=C1)C(C(=O)OCC(C)C)N.Cl Cl- 1 3.028 1 4 -7.38105050801285 6603216 CCC(=O)NCC(C1=CC=CS1)N2CCOCC2.Cl Cl- 1 1.326 2 2 0 -12.7500365515793 6603214 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)CC4=CC=CS4.Cl Cl- 1 3.056 2 1 -3.29873229944633 6603213 CC1=CC(=NC(=O)N1CCO)C.Cl Cl- 1 -4.9e-002 2 2 0 -5.04194914343474 6603212 C1CC2=C(C1)N(C3=C(C2=N)CCC3)CC4=CC=C(C=C4)Cl.Cl Cl- 1 4.412 2 0 -2.87891065911275 6603211 COC1=CC=CC(=C1OC)C(CC=C)NCCCO.Cl Cl- 1 1.824 1 3 0 -3.14251273876201 6603210 C1CCC2(C1)CC3=CC=CC=C3C(=N2)CC(=O)N4CCOCC4.Cl Cl- 1 2.445 2 2 -9.83477614177696 6603209 CC1=C(N=CN1)CSCCN.Cl Cl- 1 -0.203 3 0 0 -1.75797959032844 6603208 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C=C(C3=O)C#N)C(=O)C4=CC=CC=C4O.Cl Cl- 1 1.513 4 4 0 -12.622594151757 6603207 COC1=CC(=C(C=C1CNCCNC(=O)C2=NON=C2N)OC)OC.Cl Cl- 1 0.2 5 5 0 -15.4149450987348 6603205 C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=C(O2)CCCCCN.Cl Cl- 1 2.369 4 2 -16.1735977234373 6603204 CCC(C)[C@@H](C1=NN=C(O1)SCC(=O)NC2=CC(=CC=C2)Cl)N.Cl Cl- 1 2.67 4 2 -17.1747804683776 6603203 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCCCN4C=CN=C4.Cl Cl- 1 2.101 3 2 -8.62350876957133 6603202 COC(=O)C1=CC2=C(C=C1)SC(=NS2(=O)=O)NCCCN3CCOCC3.Cl Cl- 1 1.477 3 5 0 -9.33008007087007 6603201 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)C.Cl Cl- 1 2.661 3 3 -6.69906276949081 6603200 CCN(CC)CCNCC1=CC=C(O1)C2=CC=C(C=C2)Cl.Cl Cl- 1 3.86 2 1 8.44319403694216 6603198 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)C(=O)C3=CC=CO3.Cl Cl- 1 0.975 3 5 0 -10.8474528639866 6603197 CC(C)CCOC1=C(C=C(C=C1)Cl)CN2CCOCC2.Cl Cl- 1 3.819 1 2 -1.49757204264538e-002 6603196 CCCOC1=C(C=C(C=C1)Cl)CN2CCOCC2.Cl Cl- 1 3.111 1 2 2.11148128700723 6603195 CCN(CC)CCNC(=O)C1=C(N2CCCC3=CC=CC(=C32)C1=O)O.Cl Cl- 1 2.541 3 3 -7.19391407355006 6603194 CN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC(=CC=C3)OC.Br Br- 1 2.398 3 2 -6.05429500723749 6603192 CC(CN1CCOCC1)C(=O)O.Cl Cl- 1 -2.835 1 3 0 -7.86906934619612 6603191 CN1CCCSC1=NC2=CC=CC=C2OC.I I- 1 2.482 2 1 -6.12050413676488 6603189 CCC(C1=NN=NN1C(C)C)N2CCN(CC2)C3CCCC3.Cl Cl- 1 2.5 6 0 -11.4285662741501 6603188 COC1=CC(=C(C=C1)C2=CSC(=N2)NCC=C)OC.Cl Cl- 1 2.694 2 2 -1.15509294471899 6603186 C1=CC=C(C=C1)CNCC2=CC=CC=C2CO.Cl Cl- 1 2.346 1 1 2.49084763801714 6603185 CCC(CO)(C1=CC=CC=C1)C(=O)OC2CN3CCC2CC3.Cl Cl- 1 2.501 1 3 0.146037601274287 6603184 C1C2=CC=CC=C2CN1CCCC(=O)C3=CC=C(C=C3)F.Cl Cl- 1 3.687 1 1 -2.0390079826546 6603183 C1CN(CCN1CCOCCOC2=CC=CC3=CC=CC=C32)C(=O)C4=CC=CO4.Cl Cl- 1 3.006 2 4 -3.3351668077115 6603182 CC(CNCC1CCCO1)COC2=C(C=CC=C2OC)OC.Cl Cl- 1 2.253 1 4 -5.95790839320102 6603181 CN1CCCC(C1)OC(=O)C2=CC(=CC=C2)OC.Cl Cl- 1 2.297 1 3 -5.81172926558547 6603179 CN1CCCC(C1)OC(=O)C2=CC3=C(C=C2)OCCO3.Cl Cl- 1 2.099 1 4 -8.66451386694873 6603178 CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCOCC3.Cl Cl- 1 2.39 1 4 0.459504359450212 6603177 CCN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4.Cl Cl- 1 2.244 5 0 7.2466119431583 6603176 CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CN3CCCCC3.Cl Cl- 1 3.164 1 4 1.03513872056308 6603175 CC(CN(C)CC1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)OCCO3.Cl Cl- 1 3.57 1 4 -6.05931437407935 6603174 CCCC(C1=NN=NN1CCC(C)C)N2CCC(CC2)C(=O)N.Cl Cl- 1 1.926 6 1 0 -20.7929980650988 6603173 COC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CCOCC4.Cl Cl- 1 2.726 3 4 0 -3.75218023607502 6603172 CC1CCN(CC1)C(C2=CC=C(C=C2)OC)C3=NN=NN3C4CCCC4.Cl Cl- 1 3.68 5 1 -22.9179217968623 6603171 C1CCC2(CC1)CC3=CC=CC=C3CN2.Cl Cl- 1 3.156 1 0 -1.22975799510009 6603170 CC1=C(OC2=CC=CC=C12)C(=O)OCC(C)(C)CN(C)C.Cl Cl- 1 3.819 1 3 3.50294388201631 6603169 COCCN1C(=NN=N1)C(C2=CC=CC(=C2)C#N)N3CCCCCC3.Cl Cl- 1 2.247 6 1 0 -20.7025123677457 6603168 CCOC1=CC=C(C=C1)NC2=NCC(=O)N2CCC3=CC=CC=C3.Cl Cl- 1 3.119 3 2 -1.30311747254107 6603166 CCOC(=O)CN1C2=CC=CC=C2N(C1=N)CCOC3=CC=CC(=C3)C.Cl Cl- 1 3.333 3 3 -3.59551730135845 6603164 C1CN(CCC1C(=O)N)C(C2=CC=CC=C2F)C3=NN=NN3CC4=CC=CO4.Cl Cl- 1 1.571 6 2 0 -16.3593342856026 6603163 CCC(C)(C)N1C(=NN=N1)C(C(C)C)N2CCN(CC2)C.Cl Cl- 1 2.146 6 0 -9.15936250740937 6603162 C1CCC(CC1)N2CCN(CC2)CC3=NN=NN3CC4=CC=CO4.Cl Cl- 1 1.988 6 1 0 -12.541125666489 6603160 CCN(CC)CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C.Cl Cl- 1 2.954 1 4 -5.18115744154453 6603159 CC(CN1CCCCC1)OC(=O)C2=CC3=CC=CC=C3O2.Cl Cl- 1 3.713 1 3 -0.374820033735992 6603158 CC1=CC=C(C=C1)NC(=O)CCN2CCC3=CC=CC=C3C2.Cl Cl- 1 3.349 2 1 -6.55071570416597 6603156 C1=CC2=NON=C2C=C1CC(C(=O)O)N.Cl Cl- 1 -2.036 3 3 0 -3.25826690060984 6603155 CCN(C1=NN=C(S1)C2=CN=CC=C2)C(=O)C3CCCCC3.Cl Cl- 1 2.879 4 1 -5.50592350724454 6603154 COC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CCN4CCCCC4)O.Cl Cl- 1 3.32 4 3 0 -4.43758448636144 6603153 CC1CN(CC(O1)C)CC2=C(C=C(C=C2)C#N)Cl.Cl Cl- 1 2.889 2 1 -3.77548590546179 6603152 CCC1=C(C=C(O1)C(=O)O)CN(CC)CC.Cl Cl- 1 -0.597 1 3 0 -2.83931867627788 6603151 C1=CC=C(C=C1)CCC2=C(C(=CC(=N2)CO)CO)O.Cl Cl- 1 1.881 1 3 0 1.97094294256379 6603150 CC(C(=O)O)SC1=NN=C(N1C)COC2=CC3=CC=CC=C3C=C2.Br Br- 1 3.117 3 3 -6.88623857581317 6603148 C1COCCN1CC#CCOCC#CC2=CC=CC=C2.Cl Cl- 1 2.641 1 2 -8.21282595403991e-002 6603147 CCCN(CCC(=O)NC1=CC(=CC(=C1)OC)OC)CC2CC2.Cl Cl- 1 2.864 2 3 -7.8653600672304 6603146 CC1=C(OC2=CC=CC=C12)C(=O)OCCN3CCCCC3.Cl Cl- 1 3.822 1 3 3.0807575104109 6603145 CCC1=C(C2=CC=CC=C2O1)C(=O)CCN3CCCCC3.Cl Cl- 1 3.857 1 2 2.41684847277498 6603144 CC1=CC=C(C=C1)S(=O)(=O)NCCCN(C)C.Cl Cl- 1 1.428 2 2 0 -5.01672597913679 6603143 CC1=C(C(=CC=C1)C)OCC(CN)O.O.Cl Cl- H2O 1 1.446 1 2 0 -3.31174767394264 6603142 CC(C1=CC=CC=C1)NC/C=C(\C)/Cl.Cl Cl- 1 2.93 1 0 -0.19815865445455 6603141 C1=C(C(=NS1)C(=O)O)N.Cl Cl- 1 0.154 2 2 0 -3.60437206158175 6603140 CCOC(=O)CN1C2=CC=CC=C2N3C1=NCC3.Br Br- 1 1.239 3 2 0 -10.9955667869602 6603139 CC1=CC=C(C=C1)C2=C(C(=CC(=N2)CN(C)C)CN(C)C)O.Cl Cl- 1 3.232 3 1 7.26528633996007 6603138 C1CCC(CC1)N2CCN(CC2)CC(=O)NCCC3=CCCCC3.Cl Cl- 1 3.522 3 1 -9.56317629720247 6603137 C1CCCN(CC1)C2=CC=C(C=C2)N.Cl Cl- 1 2.619 2 0 2.92678864520218 6603136 CC1=CC=C(C=C1)C(CN2C3=CC=CC=C3N4C2=NCC4)O.Cl Cl- 1 2.742 3 1 -5.35889336968002 6603135 C\1CN2C(=NC3=CC=CC=C3C2=O)/C1=C\N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F.O.Cl Cl- H2O 1 3.796 4 1 3.31790026269755 6603133 CCCCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=C(C=C3)C)O.Cl Cl- 1 4.095 3 2 -2.85991833663496 6603132 COC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)N3CCOCC3.Cl Cl- 1 2.966 1 3 -6.32296461274332 6603131 CC(CCC1=NC2=C(N1)C=C(C=C2)C(=O)O)O.Cl Cl- 1 1.511 2 3 0 -2.74432697517906 6603130 CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2Cl)N3CCN(CC3)C4=CC=CC=C4OC.Cl Cl- 1 4.334 6 1 0 -9.82083275346942 6603129 C1=CC=C(C=C1)CNC2=NC=NC3=CC=CC=C32.Cl Cl- 1 2.847 3 0 2.22529542508807 6603128 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCNCCO.Cl Cl- 1 0.586 3 4 0 -1.84086608775008 6603127 CC(=O)OC1(CCN(C2C1CCCC2)C)C3=CC=CC=C3.Cl Cl- 1 3.006 1 2 -1.18408300951205 6603126 C1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)F.Cl Cl- 1 2.324 3 2 -8.72540940076863 6603125 CCCC(C1=NN=NN1CC2=CC=CC=C2)N3CCC(CC3)C(=O)N.Cl Cl- 1 1.929 6 1 0 -21.1593523941323 6603124 C1=CC2=NSN=C2C(=C1)CC(C(=O)O)N.Cl Cl- 1 -1.477 3 2 0 -3.60739042885668 6603123 CC1=CC=CC=C1OCC(CN)O.O.Cl Cl- H2O 1 0.96 1 2 0 -2.96022450759048 6603122 CC(C(C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O.Cl Cl- 1 2.655 1 3 1.3884427082392 6603121 CC1CC(CC(N1C)C)(C#C)O.Cl Cl- 1 1.556 1 1 0 -1.16142116085212 6603120 CCOC1=C(C2=C(C=C1C)NC(=N2)CCC(=O)O)C.Cl Cl- 1 2.756 2 3 -6.36741619925324 6603118 CCN(CC)C(C1=CC=C(C=C1)F)C2=NN=NN2C3CCCCC3.Cl Cl- 1 3.887 5 0 -17.2186313221123 6603117 COC1=CC(=C(C=C1)NC2=NCC(=O)N2CC=C)OC.Cl Cl- 1 1.466 3 3 0 -8.12775028333798 6603116 CCCC(C1=NN=NN1CC2=CC=C(C=C2)OC)N3CCC(CC3)C(=O)N.Cl Cl- 1 1.912 6 2 0 -20.7575036984969 6603113 CN(CCC(=O)NC1=CC2=C(C=C1)OCO2)CC3=CC=CC=C3.Cl Cl- 1 2.556 2 3 -6.03088192613368 6603112 C1CCN(C1)C(C2=CC=CC=C2)C(=O)O.Cl Cl- 1 -1.054 1 2 0 -6.86293671142326 6603111 CCC(C1=NN=NN1CCOC)N2CCN(CC2)CC3=CC=CC=C3OC.Cl Cl- 1 1.808 6 2 0 -19.9680033821746 6603109 CCC(C1=NN=NN1CC2=CC=CS2)N3CCN(CC3)C4CCCC4.Cl Cl- 1 3.098 6 0 -15.6506164096108 6603108 CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.Br Br- 1 0.823 1 4 0 -7.75254352339326 6603107 CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O.Cl Cl- 1 -0.576 1 4 0 0.390166910135062 6603106 CC1=CC(=C(C=C1)C2=CSC3=NCCN23)C.Br Br- 1 2.802 2 0 -0.264023817489309 6603104 CC(CCCNC1=C2C(=CC(=C1)OC)C=CC=N2)N.Cl Cl- 1 1.999 3 1 0 -4.59247729354814 6603102 CCC(C1=NN=NN1CC2=CC=CO2)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C.Cl Cl- 1 3.96 6 1 0 -12.2553976252033 6603101 COC1=CC=C(C=C1)C(C2=NN=NN2CCC3=CC=CC=C3)N4CCN(CC4)C5CCCC5.Cl Cl- 1 4.373 6 1 0 -12.6049671296852 6603098 CCCC(C1=NN=NN1CC2=CC=CO2)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C.Cl Cl- 1 4.416 6 1 0 -13.8326717186074 6603097 C1CN(CCN1C/C=C/C2=CC=CC=C2)C3=NC4=CC=CC=C4C(=N3)N.Cl Cl- 1 3.252 5 0 11.3534512821387 6603096 C1CCN(CC1)CCCNCC2C3=CC=CC=C3CCO2.Cl Cl- 1 2.458 2 1 -4.40530538872022 6603095 CCC(C)C(C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N)N.Cl Cl- 1 1.044 3 4 0 -20.0242914683344 6603091 CC(C)C(C1=NN=NN1CCOC)N2CCN(CC2)C(=O)C3=CC=CO3.Cl Cl- 1 0.879 6 3 0 -20.9846270013929 6603090 CCC(C1=NN=NN1CCC2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 2.596 6 2 0 -21.7287987283438 6603088 CCCCC(C1=NN=NN1CC2CCCO2)N3CCN(CC3)C4=NC5=CC=CC=C5S4.Cl Cl- 1 3.321 7 1 0 -19.9424862257883 6603087 C1CN(CCN1C2=CC=CC=C2F)C(C3=CC=CS3)C4=NN=NN4CCC5=CC=CC=C5.Cl Cl- 1 4.819 6 0 -10.8606502480726 6603085 CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2CCN(CC2)C3=CC=CC(=C3C)C.Cl Cl- 1 4.223 3 3 -1.75255005716601 6603084 CC1=CC=C(C=C1)C2=CSC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=CO4.Cl Cl- 1 3.534 3 3 -1.65538526124134 6603083 C1CCN(C1)CCNC(=O)CC2=CC=C(C=C2)Cl.Cl Cl- 1 2.337 2 1 -6.44530678837905 6603082 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC4=C(N3)C(=O)N=C(N4)N.Cl Cl- 1 1.793 6 2 0 -15.4212538889164 6603081 CCC(C1=NN=NN1CC2=CC=CO2)N3CCC(CC3)C(=O)N.Cl Cl- 1 0.654 6 2 0 -18.7855597897338 6603080 C1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)NC(=O)C4=CC=CO4)C5=CC=CC=C5.Cl Cl- 1 3.63 5 2 0 -4.43436851969058 6603079 CC(=O)NC1=CC=C(C=C1)NCC(COC2=CC=CC=C2)O.Cl Cl- 1 1.88 2 3 0 -8.80209629550674 6603078 COC1=CC=C(C=C1)C(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 2.607 1 3 -4.01855618129854 6603077 COC1=CC=C(C=C1)C(=O)CCN2CCCCCC2.Cl Cl- 1 3.181 1 2 1.0540232153774 6603076 CC(C)CC(C1=NN=NN1C2CCCC2)N3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 2.801 6 2 0 -27.6489428274093 6603074 CCCC(C1=NN=NN1CCOC)N2CCN(CC2)C(=O)C3=CC=CO3.Cl Cl- 1 1.016 6 3 0 -25.8127386130759 6603073 CC(C)CCN1C(=NN=N1)C(C2=CC=C(C=C2)Cl)N3CCN(CC3)C.Cl Cl- 1 3.328 6 0 -12.0363421448855 6603072 COCCN1C(=NN=N1)C(C2=CC=CC=C2OC)N3CCN(CC3)C4=CC=CC=C4.Cl Cl- 1 2.608 6 2 0 -17.1349934786489 6603070 CCCCC(C1=NN=NN1CC2=CC=CO2)N3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 2.369 6 3 0 -22.9612242368976 6603069 CCN1CCN(CC1)C(C2=CC=CC=C2F)C3=NN=NN3CC4=CC5=C(C=C4)OCO5.Cl Cl- 1 2.989 6 2 0 -16.685583262002 6603068 CCCC(C1=NN=NN1C2CCCC2)N3CCN(CC3)C4=CC=CC=C4F.Cl Cl- 1 4.108 6 0 -20.2690894741667 6603067 CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3C=NC4=CC=CC=C34.Cl Cl- 1 1.984 2 2 0 -6.20294463426064 6603064 CC(CN1CCCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl Cl- 1 2.613 1 5 -8.01354210200621 6603063 CC(CN1CCCC1)OC(=O)CC2=CC=C(C=C2)OC.Cl Cl- 1 2.681 1 3 -4.54048262876367 6603062 C1COCCN1CCOC2=CC=C(C=C2)C(=O)OCCN3CCOCC3.Cl Cl- 1 1.321 2 5 0 -5.66134174614873 6603061 C1CCN(CC1)CCCNCC(COC2=CC=CC=C2)O.Cl Cl- 1 2.023 2 2 -2.16012454063115e-002 6603060 C1CN=C(N1)NCCO.I I- 1 -1.091 3 1 0 -3.84161045068883 6603059 CN1C=C(C2=CC=CC=C21)C(=O)NCN3CCCCC3.Cl Cl- 1 2.575 3 1 -5.40611375375779 6603058 CCN1CCN(CC1)C(C2=CC(=C(C(=C2)OC)OC)OC)C3=NN=NN3C(C)C.Cl Cl- 1 2.109 6 3 0 -14.3796098302411 6603057 CC(C)CC(C1=NN=NN1CC2=CC=CO2)N3CCN(CC3)C4CCCC4.Cl Cl- 1 3.247 6 1 0 -16.0390440723277 6603055 CCCCC(C1=NN=NN1C2CCCC2)N3CCN(CC3)C4CCCC4.Cl Cl- 1 4.088 6 0 -21.1432505679912 6603052 CCC(C1=NN=NN1CC2=CC=C(C=C2)F)N3CCN(CC3)C4CCCCC4.Cl Cl- 1 4.019 6 0 -14.503866165872 6603051 CCCC(C1=NN=NN1CC2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4OC.Cl Cl- 1 4.067 6 1 0 -19.0001612502002 6603050 CCCCC(C1=NN=NN1CC2CCCO2)N3CCN(CC3)C4=CC=CC(=C4C)C.Cl Cl- 1 4.288 6 1 0 -18.179706578409 6603048 C1CCC(C1)N2C(=NN=N2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.Cl Cl- 1 3.962 6 0 -22.2300394638913 6603044 COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC4=CC=CC=C43)O.Cl Cl- 1 3.962 2 3 -2.25652901091483 6603043 CCN(CC)C(=O)CN1CCN(CC1)C2=CC=CC=C2F.Cl Cl- 1 2.118 3 1 -3.96304286742789 6603042 CC(CN1CCN(CC1)C)OC(=O)C2=CC=C(C=C2)Cl.Cl Cl- 1 2.823 2 2 -0.580586319014567 6603041 CCCCC1=NC=CN1CCN2C=CN=C2CCCC.Cl Cl- 1 3.345 4 0 -3.31767183899869 6603040 CCOC(=O)C1=C(N2CCN=C2S1)C3=CC=CC=C3.Br Br- 1 2.264 2 2 -7.18815012563625 6603038 CCN(CC)CCCC1(C2=CC=CC=C2CCO1)CN.Cl Cl- 1 2.243 2 1 -1.66017082725261 6603037 CC1(CC2=C(CO1)SC3=C2C4=NCCN4C(=N3)SC)C.Cl Cl- 1 2.641 3 1 -21.0586096427449 6603035 CCN(CC)CC(COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC)O.Cl Cl- 1 3.697 1 4 -5.9456652892113 6603034 CCCC(C1=NN=NN1C2CCCCC2)N3CCN(CC3)C4=NC=CC=N4.Cl Cl- 1 2.481 8 0 0 -21.7952117394318 6603033 CCCCC(C1=NN=NN1CC2CCCO2)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C.Cl Cl- 1 4.466 6 1 0 -19.4441267686661 6603032 CN1CCN(CC1)CCCCC(=O)C2=CC=CC=C2.Cl Cl- 1 2.558 2 1 0.149062564870525 6603031 C1CC2C3CCC(C3)[C@@]2(C1)CN.Cl Cl- 1 1.827 1 0 0 0.145368059237158 6603030 C1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)Cl.Cl Cl- 1 2.786 2 1 -0.675683079485774 6603029 C1CCCN(CC1)C(C2=CC=CS2)C3=NN=NN3CC4=CC=CC=C4.Cl Cl- 1 4.036 5 0 -15.5417988864562 6603027 CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC(=O)C=C(N2)C.Cl Cl- 1 1.269 4 4 0 -25.1445377688391 6603026 CC(C)N1C(=NN=N1)CN2CCN(CC2)C.Cl Cl- 1 9.e-002 6 0 0 -7.52444082357535 6603025 COC1=C(C=C(C=C1)C(C2=NN=NN2C3CCCC3)N4CCC5=CC=CC=C5C4)OC.Cl Cl- 1 4.153 5 2 0 -24.3881511725953 6603024 CCCC(C1=NN=NN1CC2=CC=CO2)N3CCC(CC3)C(=O)N.Cl Cl- 1 1.11 6 2 0 -20.362833883138 6603023 CC(C)OC1=CC(=CC(=C1)CN2CCCCC2)C(=O)C.Cl Cl- 1 3.27 1 2 -3.2026388087845 6603022 CCCOC1=CC(=CC(=C1)CN2CCCCC2)C(=O)C.Cl Cl- 1 3.416 1 2 -1.67993191362148 6603021 C=CCNC1=NC(=CS1)C2=CC(=C(C=C2)O)C(=O)N.Cl Cl- 1 1.487 3 2 0 2.24326887967889 6603020 CC(CCN(C)C)OC(=O)C1=CC=C(O1)C(C)C2=CC=CC=C2.Cl Cl- 1 3.966 1 3 -4.79635385552643 6603019 CC1=CC(=NC(=N1)NC2=NC(=O)CS2)C.Br Br- 1 1.189 4 1 0 -9.67455342532349 6603018 CCC1=NC2=CC=CC=C2NC3=C1C(=O)CCC3.Cl Cl- 1 2.61 2 1 -16.9459705472487 6603017 CC(C)(C)N(C)CCOC(=O)C1=CC(=CC=C1)OC.Cl Cl- 1 2.739 1 3 -5.17771398241515 6603016 C1CN(C2=CC=CC=C21)CCC(=O)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 3.356 1 3 -12.0561494552098 6603015 CN(C)CC(COC1=CC(=CC=C1)OCC(CN(C)C)O)O.Cl Cl- 1 1.053 2 4 0 -1.41210020737741 6603013 CC1=CC(=CC=C1)N(CC(CN(C)C)O)S(=O)(=O)C2=CC=CC=C2.Cl Cl- 1 2.637 2 3 -5.06277809003814 6603012 CC1=CC=C(C=C1)N(CC(CN(C)C)O)S(=O)(=O)C2=CC=CC=C2.Cl Cl- 1 2.637 2 3 -5.17475907063589 6603008 CCOCCCNCC(=O)NC1=CC=C(C=C1)OC(F)(F)F.Cl Cl- 1 2.82 2 3 -6.23222153570453 6603007 COCCCNCC(=O)NC1=CC=C(C=C1)OC(F)(F)F.Cl Cl- 1 2.472 2 3 -4.72430959697478 6603006 CC1=CC=C(C=C1)CN2C(=NN=N2)CN3CCC(CC3)N4C5=CC=CC=C5N=N4.Cl Cl- 1 2.908 8 0 0 -22.8936895119198 6603004 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C.Cl Cl- 1 1.267 4 3 0 -17.3631977985689 6603003 CN(C1CCCCC1)C(=O)CN2CCC(CC2)NC(=O)C3CCCCC3.Cl Cl- 1 2.734 3 2 -7.6899754860009 6603002 C1=CC=C(C=C1)OC2=CC=CC(=C2)NC(=O)CN3C=CSC3=N.Cl Cl- 1 2.253 3 2 -9.71891713955465 6603001 CC(=O)C(=NO)CN1CCCCC1.Cl Cl- 1 0.762 2 2 0 2.85831538577814e-002 6603000 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=CSC3=N.Cl Cl- 1 -0.502 4 4 0 -28.4862450843286 6602999 CCOC(=O)C1CC2=C(CN1)NC3=CC=CC=C23.Cl Cl- 1 2.005 2 2 -4.79702971160635 6602998 CC1=NC=CN1CCC(=O)O.Cl Cl- 1 -8.7e-002 2 2 0 -5.71213744067806 6602997 CC1=CC=CC2=C1N=C(C=C2OCC(=O)O)C.Cl Cl- 1 2.25 1 3 -4.0843589613475 6602996 CC(=O)OC(CN1CCCCC1)COC2=CC=CC=C2CC=C.Cl Cl- 1 3.745 1 3 -5.82984766365108 6602995 C1COC(C2=CC=CC=C21)CNCC3=CC=CO3.Cl Cl- 1 2.105 1 2 -5.75099962833072 6602994 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C=CSC4=N.Cl Cl- 1 1.968 3 1 0 -14.384129457981 6602993 CC1=CC=C(C=C1)OC2=CC=C(C=C2)N.Cl Cl- 1 3.129 1 1 4.52689242187257 6602992 CC1=CC=C(C=C1)CC(=O)OCCNC(=O)C2=CN=CC=C2.Cl Cl- 1 1.912 2 3 0 -12.6654274468379 6602991 CC1(CC(CC(N1)(C)C)NC(=O)CCC2=CC=CC=C2)C.Cl Cl- 1 2.268 2 1 -15.9218757774444 6602990 CC1CCCCN1CC(COC2=C(C=CC(=C2)C)C)O.Cl Cl- 1 3.708 1 2 -4.88518380863932 6602989 C1CNC(=NC1)SCCCN.Br Br- 1 -5.e-002 3 0 0 -10.5009303048147 6602987 C1CN(CCN1)CCNC(=O)C2=CC=CC=N2.Cl Cl- 1 -0.124 4 1 0 -13.9867551613612 6602986 CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCNC3.Cl Cl- 1 2.553 4 0 -12.5589897171379 6602985 C1C(OC2=CC=CC=C2O1)CNCC(=O)O.Cl Cl- 1 -1.976 1 4 0 -3.50013803721915 6602984 CC1=CN2C=C(N=C2C=C1)C3=CC(=C(C=C3)OC)OC.Cl Cl- 1 2.97 2 2 -1.52381779135043 6602982 C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3CCN(CC3)C4=CC=C(C=C4)F.Cl Cl- 1 4.078 3 1 1.63903212835907 6602981 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(N3)COC4=CC=CC=C4.Cl Cl- 1 1.91 3 4 0 -13.5982750168644 6602979 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O.Cl Cl- 1 1.692 3 5 0 -2.90732498637089 6602978 CN(C)C1=NC2=CC(=C(C=C2C(=N1)N)OC)OC.Cl Cl- 1 1.211 4 2 0 -2.08735100566513 6602977 COC1=C(C=C(C=C1)C2=C3C(=NN=C2N)C4=CC=CC=C4N3)OC.Cl Cl- 1 3.411 4 2 -2.98415923290633 6602976 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C(=O)O.Cl Cl- 1 2.775 3 4 0 -4.19248990131502 6602975 CC1=CC(NC2=CC=CC=C12)(C)C.Cl Cl- 1 2.888 1 0 -3.02202284775112 6602974 CC1CC(NC(C2=CC=CC=C12)C)(C)C.Cl Cl- 1 3.11 1 0 -2.8554594310345 6602973 C1=CN=CC=C1C2=CSC(=C2Cl)N.Cl Cl- 1 1.902 2 0 0 6.4554354940993 6602971 C1CN(CCN1CCO)CC(COC2=CC3=CC=CC=C3C=C2)O.Cl Cl- 1 1.767 2 3 0 1.77897753514179 6602970 CCN1CCN(CC1)CC(COC2=CC(=C(C=C2)C)C)O.Cl Cl- 1 2.72 2 2 -3.09523528046855 6602969 CN1CCCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC.Cl Cl- 1 2.637 2 3 -2.43158033952588 6602968 CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O)C.Cl Cl- 1 3.722 2 4 -1.51686789042405 6602967 CCCN1C2=CC=CC=C2N(C1=N)CCOC=C.Cl Cl- 1 2.171 3 1 -4.25646583951594 6602966 CN(C)CCCN1C2=CC=CC=C2N(C1=N)CC(C3=CC=C(C=C3)OC)O.Cl Cl- 1 2.416 4 2 0.652721287210861 6602965 COC1=CC(=C(C=C1)OC)N2C(=NC(=NC23CCCC3)N)N.Cl Cl- 1 1.861 5 2 0 7.78654091196968 6602964 CC1=CC(=C(C=C1)N2C(=NC(=NC2(C)C)N)N)C.Cl Cl- 1 1.931 5 0 0 12.9693826929893 6602963 CC1(N=C(N=C(N1C2=CC(=CC=C2)OC)N)N)C.Cl Cl- 1 0.296 5 1 0 11.2388611748249 6602962 CCOC(=O)C1=CC(=CC=C1)N2C(=NC(=NC2(C)C)N)N.Cl Cl- 1 1.163 5 2 0 3.07932450131364 6602961 CC1C2CC(C2(C)C)C(C1=NO)CN(C)C.Cl Cl- 1 2.027 2 1 1.7257195774385 6602960 COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)N4CCCC4.Cl Cl- 1 3.348 4 1 3.4942209009514 6602959 C1CCC2=C(C1)C(=N)C3=C(N2CC4=CC(=C(C=C4)Cl)Cl)CCC3.Cl Cl- 1 5.532 2 0 -3.5963163497806 6602958 CC1(CC2=C(O1)C(=CC=C2)OCC(CNCC3=CC=CC=N3)O)C.Cl Cl- 1 2.194 2 3 -6.80877165140958 6602957 CC1(C2CCC1(C(C2)NC3=NCCC3)C)C.Cl Cl- 1 2.223 2 0 -4.28584097292006 6602956 CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NN=C(N3C4=CC=CC=C4C)C5=CN=CC=C5.Cl Cl- 1 4.797 6 2 0 -9.49971028433954 6602955 C1=CC=NC(=C1)CCNS(=O)(=O)C2=CC=CS2.Cl Cl- 1 1.423 2 2 0 -8.65126611648106 6602954 COC1=CC(=C(C=C1)OC)N.Cl Cl- 1 1.05 1 2 0 1.45684455274931 6602953 CCC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C(=O)OCC)O.Cl Cl- 1 3.3 2 4 -8.42126633496881 6602952 CCOC(=O)N1CCN(CC1)CC(COC2=CC=CC=C2C(C)C)O.Cl Cl- 1 2.844 2 4 -7.83326731709093 6602951 COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3CC=C)O.Cl Cl- 1 4.062 2 3 -5.31727305642308 6602949 CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)CC(CC2=O)(C)C.Cl Cl- 1 2.715 2 4 -13.6890892878302 6602948 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCC(=O)O.Cl Cl- 1 2.613 3 2 2.5346645005395 6602946 CCOC(=O)[C@@H]1CCNC[C@@H]1C2=CC=CC=C2.Cl Cl- 1 1.812 1 2 0 -8.98658268974051 6602945 C1=CC(=CC=C1[N+]2=CC(=N)O[N-]2)Cl.Cl Cl- 1 2.086 3 1 -1.52162906160066 6602944 C1C2CC3CC1CC(C2)(C3)C[N+]4=CC(=N)O[N-]4.Cl Cl- 1 2.319 3 1 1.85114244503379 6602943 CC(=O)OC1C2CCCC1C(CC2)N3CCCC3.Cl Cl- 1 2.51 1 2 -5.83586302811243 6602941 CC1CN(C(=NC2CCCCC2)S1)CC(=O)NC3=CC=C(C=C3)C.Cl Cl- 1 4.218 3 1 -8.53147078209721 6602940 C=CCC(CCN1CCCCC1)(C2=CC=CC=C2)O.Cl Cl- 1 3.166 1 1 -5.40370591545336 6602939 CCOC(=O)C1CN(CCC1=O)C.Cl Cl- 1 0.264 1 3 0 -5.53669262226368 6602937 C1COCCN1CCOC(=O)CCC2=CC=CC=C2.Cl Cl- 1 2.002 1 3 -7.90910385828941 6602936 CCCCCC(=O)OC(CN1CCCCC1)CN2CCCC2=O.Cl Cl- 1 2.794 2 3 -17.5409599534665 6602935 CCCCOC(=O)C1CCCC(N1)C(=O)OCCCC.Cl Cl- 1 3.043 1 4 -6.12190432258435 6602934 CC(=O)NC1=CC(=C2C(=C1)SC(=N2)N)NC(=O)C.Cl Cl- 1 -5.1e-002 4 2 0 -3.86296034966665 6602932 CCOC(=O)N1CCN(CC1)CC(COC2=C(C=CC=C2OC)OC)O.Cl Cl- 1 1.617 2 6 0 -8.09803357611464 6602931 C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=C3F)O.Cl Cl- 1 4.284 2 2 -4.57055144641232 6602930 C1CN(CCN1CC(COCC2=CC=CC=C2)O)C3=CC=CC=C3F.Cl Cl- 1 3.096 2 2 -0.954638787481604 6602929 CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)N.Cl Cl- 1 3.522 3 0 -1.06965188560875 6602928 COC1=CC(=CC=C1)OCC(CN2CCN(CC2)CCO)O.Cl Cl- 1 0.843 2 4 0 -1.77011525940624 6602927 C1CN2C(=CSC2=N1)C3=CC(=C(C=C3)Cl)Cl.Br Br- 1 3.158 2 0 1.04810233528211 6602926 CC1=CC(=C(C=C1)C)C2=CSC3=NCCN23.Br Br- 1 2.802 2 0 2.18137493946403e-002 6602925 CCC1=NN=C(N1N)N2C(=CC(=N2)C)C3=CC=CC=C3.Cl Cl- 1 2.49 6 0 -4.22253829422632 6602924 CCCCOC(=O)CN1C2=CC=CC=C2N(C1=N)CCC.Cl Cl- 1 3.067 3 2 -5.76011753446501 6602923 CCOC(=O)CN1C2=CC=CC=C2N(C1=N)CC=C.Br Br- 1 1.832 3 2 0 -9.95838817039109 6602922 CCCN1C2=CC=CC=C2N(C1=N)CC(=O)OCC.Br Br- 1 2.087 3 2 -6.05386716515885 6602921 CCN(CC)C1=CC2=C(C=C1)NCCC2.Cl Cl- 1 3.029 2 0 -9.33362968845899 6602920 CCCCN1C2=C(C=C(C(=C2)C)C)N3C1=NCCC3.Br Br- 1 3.547 3 0 -7.63856535012764 6602919 CCN1C2=C(C=C(C(=C2)C)C)N3C1=NCCC3.Br Br- 1 2.567 3 0 -6.73954606831273 6602918 CCCN1C2=C(C=C(C(=C2)C)C)N3C1=NCC3.Cl Cl- 1 3.028 3 0 -6.12832049928208 6602917 CCCC(CCC)C(=O)NCCN1CCOCC1.Cl Cl- 1 2.154 2 2 -12.5676285730605 6602916 CC(C)NCC(COC1=C(C=C(C=C1F)Br)F)O.Cl Cl- 1 2.791 1 2 -0.287724503994172 6602915 COC1=CC=C(C=C1)OCCOCC(CN2CCOCC2)O.Cl Cl- 1 0.981 1 5 0 -6.38281076106594 6602914 C1COCCN1CC2=CN3C=CSC3=N2.Br Br- 1 0.278 3 1 0 -3.56431493811651 6602913 COC1=CC=C(C=C1)NC2=CC=NC3=CC=CC=C32.Cl Cl- 1 3.549 2 1 0.751075184180328 6602912 CCCN(CCC)C(=O)CN1C=CC(=N)C2=CC=CC=C21.Cl Cl- 1 2.632 3 1 -15.0954293948792 6602911 CC1=CC=C(O1)CCC(C2=CC=C(C=C2)OC)N.Cl Cl- 1 2.428 1 2 -0.495290185890433 6602910 C1CNC(=NC1)SCC2=CC(=C(C=C2)Cl)Cl.Cl Cl- 1 3.629 2 0 -8.92783506485652 6602909 CN1CCCC(C1)OC(=O)C2=C(C=CC(=C2)Br)Cl.Cl Cl- 1 3.726 1 2 -1.34175059013966 6602907 CN1CCN(CC1)C2=NC=CC3=C2N=CN3C.Cl Cl- 1 0.439 5 0 0 2.87383697634865 6602906 CN(CCC1=CC=CC=N1)S(=O)(=O)C2=CC=CC=C2F.Cl Cl- 1 2.048 2 2 -7.77660961937037 6602905 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(N3)CC4=CC=CC=C4.Cl Cl- 1 2.11 3 3 -14.9536990510955 6602904 CN1CCC(CC1)N(C)C(=O)COC2=CC=CC=C2C3=CC=CC=C3.Cl Cl- 1 2.708 2 2 -1.44523728269252 6602903 C1COCCN1C(CNC(=O)C2=CC=C(S2)Cl)C3=CC=CS3.Cl Cl- 1 2.735 2 2 -7.66910911681193 6602901 C/C(=C(\C1=CC=CC=C1)/O)/SC2=NN=C(O2)CC3=CC=CC=C3.Br Br- 1 3.742 2 2 -10.2721955064704 6602900 C1CC2=CC=CC=C2N(C1)CC3=CN4C=C(C=CC4=N3)Cl.Br Br- 1 3.726 3 0 -11.4926868302933 6602899 C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(CN(CCO)CCO)O.Cl Cl- 1 2.078 2 3 7.12339515291885 6602898 C1CCN(CC1)CC2=CN3C=C(C=CC3=N2)Cl.Br Br- 1 2.44 3 0 -1.02207813632921 6602896 C1CN(CCN1CC2=CC=CC=C2)C(=O)C34CC5CC(C3)CC(C5)C4.Cl Cl- 1 3.676 2 1 1.82310278815251 6602895 C1CCC2=C(C1)C=C(S2)C(=O)NCCCN3CCOCC3.Cl Cl- 1 2.263 2 2 -12.8586444364741 6602894 C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.Cl Cl- 1 3.889 2 3 -6.34248301248806 6602893 C1CN=C(N1)SCC(=O)NC23CC4CC(C2)CC(C4)C3.Cl Cl- 1 1.857 3 1 0 -14.8868141793988 6602892 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CN3C=CSC3=N.Cl Cl- 1 2.211 3 1 -7.51662507858488 6602891 C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CN3C=CSC3=N.Cl Cl- 1 2.667 3 1 -13.7586013726294 6602890 CC1(CC2=C(O1)C(=CC=C2)OCC(CN3CCN(CC3)C4=CC=CC=N4)O)C.Cl Cl- 1 3.1 3 3 -5.84514863861026 6602889 CC1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=N3.Cl Cl- 1 1.867 4 0 0 0.258822101598184 6602888 CN1CCN(CC1)CC(=O)N2C3=C(CCCC3)C4=CC=CC=C42.Cl Cl- 1 3.46 3 1 2.12723743058529 6602887 CCN(CC)CCNS(=O)(=O)C1=CC=C(C=C1)Cl.Cl Cl- 1 2.241 2 2 -4.56814005930192 6602885 C=CCN1C(=NN=C1N2CCOCC2)CC#N.Cl Cl- 1 0.108 5 1 0 -11.545533151506 6602883 C1C(NCC2=CC=CC=C2N1)CC3=CC=CC=C3.Cl Cl- 1 2.928 2 0 -2.45969428916408 6602882 CC1=C(C(=NN1)C)S(=O)(=O)N2CCC3=CC=CC=C32.Cl Cl- 1 1.47 3 2 0 -12.9465243739342 6602881 CCC1=CC(=CC=C1)NS(=O)(=O)C2=C(NN=C2C)C.Cl Cl- 1 2.132 3 2 -0.896575692418663 6602880 CC(C)CCN(C)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F.Cl Cl- 1 3.58 2 2 -12.6576063104382 6602879 CC(C)CCN(C)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C.Cl Cl- 1 1.758 3 3 0 -21.7286229980458 6602878 CCOC(=O)CCCCNCC1=CC=CC=C1.Cl Cl- 1 2.449 1 2 -10.8109061644058 6602877 COC1=C(C=C(C=C1)C2N=C(N=C(N2C3=CC=CC=C3)N)N)OC.Cl Cl- 1 1.964 5 2 0 -1.45289789509259 6602876 CCCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O.Cl Cl- 1 4.469 2 2 1.7593286698957 6602875 C1CCCN(CC1)CC(COCC2=CC=CS2)O.Cl Cl- 1 2.375 1 2 -5.72602059706159 6602874 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CCN(CC3)C4=CC=CC=C4)O.Cl Cl- 1 3.587 2 4 -4.57437784036646 6602873 CC1=CC=C(C=C1)C2=CSC3=NC(=O)C(=NN23)C.Br Br- 1 2.213 3 1 -4.97566300883281 6602872 CC1=C(OC(=[N+]1[O-])C2=CC(=CC=C2)Cl)C.Cl Cl- 1 1.9 1 2 0 6.0889325473795 6602871 CC1=C(OC(=[N+]1[O-])C2=CC=CS2)C.Cl Cl- 1 1.189 1 2 0 -0.610641544626653 6602870 C1C(=NN2C(=NN=C2S1)C3=CN=CC=C3)C4=CC5=CC=CC=C5OC4=O.Cl Cl- 1 2.59 5 2 0 -4.10248761919065 6602869 CC1=C2C=CC(=O)C=C2NC(=C1)N3CCN(CC3)C4=CC=CC=C4F.Cl Cl- 1 3.193 3 1 0.553776806934096 6602868 CC1=C(C(=NC2=NC(=NN12)C)C)CCC(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl.Cl Cl- 1 2.955 7 1 0 -12.3586570921221 6602867 CC1=C(C(=NN1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)C.Cl Cl- 1 0.815 4 4 0 -12.6270559174337 6602864 CC1=CC(=NC=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32.Cl Cl- 1 2.32 4 2 -3.80139474483091 6602863 CC1=CC(=C(S1)C)S(=O)(=O)NCCN(C)C.Cl Cl- 1 0.832 2 2 0 -5.2784433067458 6602862 CC1=CC(=C(S1)C)S(=O)(=O)NCCN2CCOCC2.Cl Cl- 1 0.52 2 3 0 -8.32150840235716 6602861 COC1=C(C=C(C=C1)C2C3=CC=CN3C4=C(CN2)C=CC5=C4OCO5)O.Cl Cl- 1 3.303 2 4 -3.29714721289157 6602860 C1CN(CCN1CC2=CC=C(C=C2)N)C3=NC4=CC=CC=C4C=C3.Cl Cl- 1 2.891 4 0 10.3605045728501 6602859 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC3=NCCCCC3.Cl Cl- 1 2.893 3 3 -8.08274101106806 6602858 C1CCN(CC1)C2=CC=CC=C2NC3=NCCC3.Cl Cl- 1 2.545 3 0 -3.96969716537021 6602857 COC1=C(C=C(C=C1)C2=NN=C3N2C4=CC=CC=C4SC3)OC.Cl Cl- 1 3.357 3 2 -5.33240937448163 6602856 CC(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O.Cl Cl- 1 4.265 2 2 1.12981147426323 6602855 CCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O.Cl Cl- 1 4.013 2 2 0.364279744584186 6602854 COC(=O)CC1=CSC(=N1)N.Cl Cl- 1 0.399 2 2 0 -4.2952289133335 6602853 C1=CC(=CC=C1CCS(=O)(=O)N)N.Cl Cl- 1 0.116 2 2 0 -2.15811107150886 6602852 CC1=C(C=CC(=C1)OCC(CN2CCN(CC2)C)O)C(C)C.Cl Cl- 1 3.079 2 2 -1.44642236995752 6602851 C1C2=CC=CC=C2N3C=CC=C3C(N1)C4=CC(=C(C=C4)O)Cl.Cl Cl- 1 4.216 2 1 -2.27750012474126 6602850 CCOC1=CC=CC(=C1O)C2C3=CC=CN3C4=CC=CC=C4CN2.Cl Cl- 1 3.884 2 2 -6.59404353051421 6602849 CCOC1=C(C=CC(=C1)C2C3=CC=CN3C4=CC=CC=C4CN2)O.Cl Cl- 1 3.884 2 2 -5.90309941794151 6602848 COC1=C(C=CC(=C1)C2C3=CC=CN3C4=CC=CC=C4CN2)O.Cl Cl- 1 3.535 2 2 -5.04834067591808 6602847 CC1(CC2=NOC(=C2C(N1O)(C)C)N)C.Cl Cl- 1 0.522 3 2 0 -1.75148393583237 6602846 CC1(CC(CC(N1O)(C)C)OC(=O)C2=CC=CO2)C.Cl Cl- 1 1.761 1 4 0 -5.04257864630039 6602845 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCN=CN(C)C.Cl Cl- 1 -0.749 7 3 0 -15.8553568949531 6602844 CC1=C(C2=C(N1)C(=CC=C2)C(F)(F)F)CCN.Cl Cl- 1 2.638 2 0 2.0394795911904 6602843 COC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)CCCO.Br Br- 1 1.899 3 5 0 -14.1687183937299 6602842 CC1=CN=C(N=C1C)SCCC2=CC=NC=C2.Cl Cl- 1 2.637 3 0 0.545561580839998 6602841 CC1=CC(=NC2=C1C=C3C(=C2)C=CN3C4[C@@H]([C@H]([C@H](CO4)O)O)O)C.Cl Cl- 1 1.639 2 4 0 -0.729640480116841 6602839 CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=CC=C2C(=O)NCCCN3C=CN=C3)C)C.Cl Cl- 1 3.274 4 3 0 -9.44458209304575 6602838 C1CCC(=NCC1)NCC2=CC=CC=C2.Cl Cl- 1 2.385 2 0 -5.72006036975557 6602837 CC(CC1=CNC2=CC3=C(C=C21)OCCO3)N.Cl Cl- 1 1.713 2 2 0 -2.57048820250495 6602836 COC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)CN.Cl Cl- 1 0.772 3 5 0 -20.6328082265775 6602835 CC1=CC=CC=C1NCC2=CC=CC=C2O.Cl Cl- 1 3.466 1 1 4.23475049573628 6602834 C1CN(CCN1CCC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3F.Cl Cl- 1 4.407 2 1 5.91285596043664 6602832 CC(C)COC1=CC=C(C=C1)C(=O)OCCN2CCOCC2.Cl Cl- 1 2.687 1 4 -9.30626781425486 6602831 CC1=NC2=C(N1)C3(CCN(CC3)CC4=CC=CC=C4)C(=C(O2)N)C#N.Cl Cl- 1 2.095 5 1 -0.136363850755597 6602830 C1=CC(=CN=C1)OC(=O)C2=CC=C(C=C2)Cl.Cl Cl- 1 2.775 1 2 -3.84470555172925 6602829 CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(O2)[C@H](CC3=CNC4=CC=CC=C43)N)C.Cl Cl- 1 3.529 5 2 0 -14.8900382720579 6602828 CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)CCN.Cl Cl- 1 2.39 3 1 -13.2879073174504 6602827 CN(C)C(=O)CSC1=NN=C(O1)[C@H](CC2=CC=CC=C2)N.Cl Cl- 1 0.892 4 2 0 -14.0718122396989 6602826 CCC1=NC2=C(C(=N1)NC3=CC4=NC=CN=C4C=C3)OC5=CC=CC=C52.Cl Cl- 1 3.522 5 1 7.21051920828552 6602824 CC1=NC2=C(C(=N1)NC3=CC=C(C=C3)C(=O)C)OC4=CC=CC=C42.Cl Cl- 1 3.13 3 2 1.05739766742282 6602823 CC1=NC2=C(C(=N1)N3CCN(CC3)C4=CC=CC=C4OC)OC5=CC=CC=C52.Cl Cl- 1 3.633 4 2 5.10458821113745 6602822 CCN(CC)CC(=O)NC1=C(C=CC2=C1OCO2)Br.Cl Cl- 1 2.17 2 3 -3.76998400784855 6602821 C1CC1C(C#CCN2CCOCC2)(C3=CC=CC=C3)O.Cl Cl- 1 2.347 1 2 -0.795353941861121 6602818 C1CCN(CC1)CCCCC(C2=CC=CC=C2)O.Cl Cl- 1 3.408 1 1 -1.41969298948168 6602817 CCOC(=O)C1=C(SC2=C1C3CCN2CC3)N.Cl Cl- 1 1.731 2 2 0 -1.80540203750014 6602816 C1C[C@H](NC1)C2=NN=C(O2)SCC3=CC(=CC=C3)Cl.Cl Cl- 1 2.862 3 1 -10.2319779888879 6602815 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C3=NN=C(O3)SCC4=CC=C(C=C4)F)N.Cl Cl- 1 3.709 4 1 -9.60428459936495 6602814 CC1=CC=C(C=C1)C(=O)C2CN3CCC2CC3.Cl Cl- 1 2.657 1 1 2.8873870887558 6602813 CC(C(C)(C)NO)NO.Cl Cl- 1 -0.183 2 2 0 -1.32659561535447 6602811 CCCCCCN1CC2=CC=CC=C2C1.Br Br- 1 3.898 1 0 -0.759533384641181 6602810 C1COCCN1C2=NC=NC3=C2OC4=CC=CC=C43.Cl Cl- 1 1.752 3 2 0 4.80315985513894 6602809 CC1(CC(=C2C(=NC3=C(N=CN=C3S2)OC)C1)N)C.Br Br- 1 1.53 4 1 0 -6.9815768468759 6602808 CCC1=NC2=C(C(=N1)NC3=CC=NC=C3)OC4=CC=CC=C42.Cl Cl- 1 2.907 4 1 5.95375514158718 6602807 CCC1=NC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CO4)OC5=CC=CC=C52.Cl Cl- 1 2.963 4 3 0 2.77299041627681 6602806 CCC1=NC2=C(C(=N1)N3CCC(CC3)C)OC4=CC=CC=C42.Cl Cl- 1 3.856 3 1 4.19408299798746 6602805 CCC1=NC2=C(C(=N1)N3CCCCC3)OC4=CC=CC=C42.Cl Cl- 1 3.604 3 1 5.60248119199639 6602804 CCC1=NC2=C(C(=N1)NCC3CCCO3)OC4=CC=CC=C42.Cl Cl- 1 2.839 3 2 -0.193288197197166 6602803 CCC1=NC2=C(C(=N1)NCC3=CC=CC=N3)OC4=CC=CC=C42.Cl Cl- 1 3.129 4 1 2.81643472238988 6602802 CCC1=NC2=C(C(=N1)NCC3=CC=CO3)OC4=CC=CC=C42.Cl Cl- 1 3.246 3 2 2.3188468418151 6602801 CCC1=NC2=C(C(=N1)NC(C)C)OC3=CC=CC=C32.Cl Cl- 1 3.207 3 1 1.81139980209978 6602800 CCC1=NC2=C(C(=N1)NCC)OC3=CC=CC=C32.Cl Cl- 1 2.83 3 1 3.1555071837188 6602799 CCC1=NC2=C(C(=N1)N(CC)CC)OC3=CC=CC=C32.Cl Cl- 1 3.384 3 1 4.09098164603409 6602798 CC1=NC2=C(C(=N1)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC6=CC=CC=C62.Cl Cl- 1 3.329 4 3 0 7.10579863474571 6602797 CC1=NC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CO4)OC5=CC=CC=C52.Cl Cl- 1 2.296 4 3 0 1.22653347903111 6602795 CC1=NC2=C(C(=N1)NCCC3=CN=CN3)OC4=CC=CC=C42.Cl Cl- 1 1.611 5 1 0 6.03362995566982 6602794 CC1=NC2=C(C(=N1)NCCCN3CCOCC3)OC4=CC=CC=C42.Cl Cl- 1 1.703 4 2 0 1.85613089065528 6602793 CC1=NC2=C(C(=N1)NC(C)C)OC3=CC=CC=C32.Cl Cl- 1 2.54 3 1 1.53111081691182 6602792 C1COCCN1CCCNC2=NC=NC3=C2OC4=CC=CC=C43.Cl Cl- 1 1.747 4 2 0 3.23887886642194 6602791 CC1CC(=NO)C(CN1CC#C)C.Cl Cl- 1 2.183 2 1 -2.21468704237344 6602790 CN(C)CCCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.Cl Cl- 1 3.146 1 3 -4.06154630300486 6602789 CC1=CC=C(C=C1)OCC(=O)OC2CN3CCC2CC3.Cl Cl- 1 2.543 1 3 -1.22685451561805 6602788 CCN(CC)CCOC1=NC(=NC2=C1OC3=CC=CC=C32)C.Cl Cl- 1 3.297 3 2 4.5536102440587 6602787 CC1=CC2=C(C=C1)N(C(=N2)NCCO)C.Cl Cl- 1 1.376 3 1 0 1.97120662626342 6602786 CC(C)(C)C1=CC=C(C=C1)OCC(=O)OC2CCN(CC2)C.Cl Cl- 1 3.031 1 3 -1.32704882250026 6602785 COC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N4CCN(CC4)CCO.Cl Cl- 1 2.26 3 3 -0.568541980475373 6602784 CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN(C)C.Cl Cl- 1 3.388 3 3 -0.441257143174588 6602778 CC1=CC(=NC2=CC=CC=C12)OCCN3CCCCC3.Cl Cl- 1 4.081 2 1 7.06102577669988 6602777 CCCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC(=C3)C)O.Cl Cl- 1 3.639 3 2 -1.95382189501075 6602776 CCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC(=C3)C)O.Cl Cl- 1 3.115 3 2 -0.899778687788217 6602775 COC1=C(C(=CC=C1)OC)OCCN2CCN(CC2)C(=O)C3=CC=CO3.Cl Cl- 1 2.195 2 5 0 -2.42364970512992 6602774 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)N4CCN(CC4)C(=O)OCC.Cl Cl- 1 1.823 5 4 0 -2.19508304375136 6602773 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(O2)[C@H](CC3=CNC4=CC=CC=C43)N.Cl Cl- 1 3.529 5 2 0 -17.5775450011342 6602772 C1=CC=C(C=C1)CSC2=NN=C(O2)CCN.Cl Cl- 1 1.418 3 1 0 -14.4370250442493 6602771 CN1C(CN(CC1C#C)CC2=CC=CC=C2)C#C.Cl Cl- 1 4.302 2 0 2.60992567276074 6602770 C1OC2=C(O1)C=C(C=C2)NC3=NC=NC4=C3OC5=CC=CC=C54.Cl Cl- 1 3.203 3 3 4.99587177511605 6602769 CN1C=[N+](C=C1C=NO)C.[I-] I- 1 1.383 3 1 0 4.16167424189955 6602768 CC(C1=[N+](C=C(N1C)Cl)C)O.[I-] I- 1 1.028 2 1 0 0.22145606835869 6602766 CSC1=NN=C(O1)[C@H](CC2=CC=CC=C2)N.Cl Cl- 1 1.626 3 1 0 -4.79375463800488 6602765 CCN(CCC(=O)NC1=C(C=C(C=C1)OC)OC)CC(=C)C.Cl Cl- 1 2.583 2 3 -13.3400580730722 6602764 CCN(CC)C(C1=CC=C(C=C1)C)C2=NN=NN2C3CCCCC3.Cl Cl- 1 4.168 5 0 -17.9305083475776 6602763 C1CN2C3=CC=CC=C3N(C2=N1)CC(=O)C45CC6CC(C4)CC(C6)C5.Br Br- 1 3.321 3 1 -6.05841488670996 6602762 CC(CN1CCOCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl Cl- 1 1.84 1 6 0 -10.7666168270864 6602761 CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC(=CN=C1)O.Cl Cl- 1 0.462 2 6 0 -18.8931389417659 6602759 COC1=CC=C(C=C1)C2(CCOCC2)C(=O)NCCCN3CCOCC3.Cl Cl- 1 1.052 2 4 0 -12.5547829335751 6602758 COC1=CC=CC(=C1OC)CNCCOCCO.Cl Cl- 1 0.664 1 4 0 -0.161054981829928 6602757 CCN(CC)CCOC1=NN=C2C(=C1)N(C3=CC=CC=C3O2)C.O.Cl Cl- H2O 1 3.596 4 2 4.69651963518598 6602756 C1=CC=C(C=C1)CCP(=O)(CCCN)O.Cl Cl- 1 0.748 1 2 0 -1.39712009785688 6602755 COC1=C(C=C(C=C1)C2=CN3C=CC=CC3=N2)OC.Br Br- 1 2.484 2 2 -2.19704305292556 6602754 CN1C2=C(C(=NC=C2)N3CCCCC3)N=N1.Cl Cl- 1 1.488 5 0 0 -2.12846028378582 6602753 CCN(CC)CC(=O)NC1=C(C=C(C=C1C)C(C)(C)C)C.Cl Cl- 1 4.026 2 1 -4.90707846956581 6602752 C1C(C[N+]2=CC=CN21)O.[Cl-] Cl- 1 -0.11 2 1 0 0.294638929203909 6602748 CN=C1C2=C(C3=C(N2CCN1C)C=CC(=C3)OC)C4=CC=CC=C4.Cl Cl- 1 3.615 3 1 6.08327602917397 6602746 CCC(=O)OC1(CCN(CC1)C)C#CCOC2=CC=C(C=C2)OC.Cl Cl- 1 2.861 1 4 -3.10287234255883 6602745 CCOC(=O)C1=C(NC(=O)N=C1)C.Cl Cl- 1 0.37 2 3 0 -9.20645578672362 6602744 C1CC(=O)C(C(=O)C1)C2=CSC(=N2)N.Cl Cl- 1 0.486 2 2 0 -1.19940935102322 6602743 CC1(CC2=C(CS1)SC3=C2C(=O)N(C4=NCCN34)C)C.Cl Cl- 1 2.126 3 1 -10.7363367083057 6602742 CCOC(=O)C1=C(C2=C(O1)C=CC=C2OCC(CNC(C)C)O)C.Cl Cl- 1 2.917 1 5 -1.49537859283081 6602740 C1C[C@H](NC1)C2=NN=C(O2)SCC3=CC=C(C=C3)Cl.Cl Cl- 1 2.862 3 1 -10.1692009161747 6602739 C1=CC=C(C=C1)C[C@@H](C2=NN=C(O2)SCC3=CC=CC=C3Cl)N.Cl Cl- 1 3.874 3 1 -10.6231149936471 6602738 CCC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)NC)C)C.Cl Cl- 1 1.88 3 2 0 -15.2301685537621 6602737 CC(C#CCN1CCN(CC1)C)(C2CC3CC2C=C3)O.Cl Cl- 1 1.982 2 1 0 5.0983741924813 6602736 CC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)C(=O)O.Cl Cl- 1 0.614 2 2 0 4.6613342175429 6602735 CC(C)CCC(CCN1CCOCC1)C2=CC3=C(C=C2)OCO3.Cl Cl- 1 4.009 1 3 -3.57364900572969 6602734 CCN(CC)C(=O)CSC1=NN=C(O1)CCN.Cl Cl- 1 -0.202 4 2 0 -23.6606248178524 6602733 CN(C)CC1=C(C=CC2=C1N=CN2)O.Cl Cl- 1 1.177 3 1 0 5.53296196674556 6602732 CC1(CC2=C(CN1C)SC(=C2C#N)N)C.Cl Cl- 1 1.557 3 0 0 -2.14928361847025 6602731 C1C2CC3CC1CC(C2)(C3)NC(=O)CN(CCO)C4=CC=CC=C4.Cl Cl- 1 2.655 2 2 -7.92306958315547 6602730 CN1CCN(CC1)CC(=O)C23CC4CC(C2)CC(C4)C3.Cl Cl- 1 2.414 2 1 2.09089543462405 6602729 CC(C12CC3CC(C1)CC(C3)(C2)C(C)N)N.Cl Cl- 1 1.408 2 0 0 -1.55768655150781 6602728 C1COCCN1CC2(C3CC4CC(C3)CC2C4)O.Cl Cl- 1 1.581 1 2 0 0.75617350352353 6602727 CNCCC1=NC(=NN1)N.Br Br- 1 -0.657 5 0 0 -1.2553081898175 6602726 C1=CC(=CN=C1)OC(=O)C2=CC=CO2.Cl Cl- 1 1.506 1 3 0 -4.43217610445358 6602725 C1CN2C3=CC=CC=C3N(C2=N1)CC(=O)N4CCOCC4.Cl Cl- 1 0.137 4 2 0 -14.462225787275 6602724 C1CCC(C1)(CN)C2=CC3=C(C=C2)OCCO3.Cl Cl- 1 2.176 1 2 -6.74465244889148 6602723 CNC(=O)OCC1=NC(=CC=C1)COC(=O)NC.Cl Cl- 1 0.65 3 4 0 -4.66943155447175 6602722 CSC1=CC=C(C=C1)CNC2CN3CCC2CC3.Cl Cl- 1 2.445 2 0 9.73909509906239 6602721 COC1=CC=CC(=C1OC)CNC2CN3CCC2CC3.Cl Cl- 1 1.871 2 2 0 5.7623724307313 6602720 C1=CC(=CC=C1C(CC(=O)O)CN)Cl.Cl Cl- 1 -1.06 1 2 0 -3.75010787526149 6602719 COC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2N4CCOCC4)OC.Br Br- 1 2.546 3 4 0 -9.95968018270752 6602718 CC1=CC2=C(C=C1)N=C(N2)N3CCN(CC3)C.Cl Cl- 1 1.872 4 0 0 4.6868803563256 6602717 CC1CC(NC2=C1C=CC(=C2C)C)C.Cl Cl- 1 3.771 1 0 0.667045143302925 6602716 CC1CC(NC2=C1C=CC=C2C)C.Cl Cl- 1 3.285 1 0 -1.07690463622224 6602714 CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)[C@H](C(C)C)N.Cl Cl- 1 3.469 3 1 -11.3425991824319 6602713 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C3=NN=C(O3)SCC4=C(C=CC=C4Cl)F)N.Cl Cl- 1 4.373 4 1 -12.3711035899774 6602712 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C3=NN=C(O3)SCC4=CC=C(C=C4)Cl)N.Cl Cl- 1 4.168 4 1 -8.49416293424338 6602711 C1=CC=C(C=C1)CSC2=NN=C(O2)[C@H](CC3=CNC4=CC=CC=C43)N.Cl Cl- 1 3.503 4 1 -11.2993895266222 6602710 CC(=C)CSC1=NN=C(O1)[C@H](CC2=CNC3=CC=CC=C32)N.Cl Cl- 1 2.983 4 1 -13.907794858474 6602709 CC(C)SC1=NN=C(O1)[C@H](CC2=CNC3=CC=CC=C32)N.Cl Cl- 1 2.646 4 1 -6.82099512769885 6602708 CCC(C)[C@@H](C1=NN=C(O1)SCC2=CC(=CC=C2)F)N.Cl Cl- 1 3.159 3 1 -13.236528538102 6602707 CC1=CC=CC=C1OCC(=O)OC(C)CN2CCN(CC2)C.Cl Cl- 1 2.48 2 3 -3.1773731959863 6602706 C1=CC=C2C(=C1)N(C(=N)N2CC(C3=CC=CO3)O)CC4=CC=C(C=C4)Cl.Cl Cl- 1 3.768 3 2 1.98877211130282 6602705 C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(C4=CC=CO4)O.Cl Cl- 1 3.104 3 2 -0.816454481076001 6602704 CC1=CC=CC=C1CN2C3=CC=CC=C3N4C2=NCC4.Cl Cl- 1 3.253 3 0 -5.6308111729575 6602703 CC1=CC=CC=C1CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=CO4.Br Br- 1 3.88 3 2 -2.83448645666383 6602702 CCN1C2=CC=CC=C2N(C1=N)CC(=O)OC.Br Br- 1 1.215 3 2 0 -4.87505419182933 6602701 CC(C)(C)C(=O)CN1C2=CC=CC=C2N(C1=N)CC3=CC=CC=C3.Br Br- 1 3.871 3 1 -2.79289431875038 6602700 C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(C4=CC=CC=C4)O.Cl Cl- 1 3.815 3 1 -1.83481420998542e-002 6602699 COC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N(C2=N)CCO.Cl Cl- 1 2.235 3 3 -9.55847972736298e-002 6602698 C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N(C2=N)CCO.Cl Cl- 1 2.252 3 2 -0.193989025911136 6602694 CCC1(CC2=CC=CC=C2/C(=C/C(=O)N3CCCCC3)/N1)C.Cl Cl- 1 3.045 2 1 -7.13069836070469 6602693 C1CN(CCN1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 2.806 2 1 -8.19167958001672 6602692 C1=CC=C(C(=C1)NC(=O)CNCC2=CC=CO2)N3C=CC=C3.Cl Cl- 1 2.062 3 2 -7.89820912981009 6602691 CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC=O.Cl Cl- 1 -0.422 9 4 0 -9.86079252226118 6602690 CN(C)CCNC(=O)C(C(=O)C1=CC=C(C=C1)F)N2C=CC=CC2=O.Cl Cl- 1 0.89 3 3 0 -8.01160352284875 6602689 CC1=CC(=C(C=C1)C)NC2=NCC(=O)N2CC3=CC=C(C=C3)OC.Cl Cl- 1 3.422 3 2 0.256829212773979 6602687 CC(C)C(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CC=N3.Cl Cl- 1 2.708 2 3 -7.30518048265797 6602685 C1COCCN1CC#CCOC/C=C/C2=CC=CC=C2.Cl Cl- 1 2.518 1 2 -1.12522577336719 6602684 CN(C)CC1=NC(=C(C=C1)O)CCC2=CC=CC=C2.Cl Cl- 1 3.164 2 1 4.89431720198049 6602681 C1CCN(C1)C(C2=CC=CC(=C2)C#N)C3=NN=NN3CC4=CC=CC=C4.Cl Cl- 1 3.049 6 0 -18.4949266953554 6602679 CCCC1=NN=C(S1)NC(=O)CN2CCOCC2.Cl Cl- 1 0.502 4 2 0 -13.7461264090411 6602678 C1CN=C2N(C1)C3=CC=CC=C3N2CC(COC4=CC=CC=C4)O.Cl Cl- 1 2.367 3 2 -10.3428781609752 6602676 C1CCC(C1)N2C(=NN=N2)C(C3=CC=C(C=C3)O)N4CCC5=CC=CC=C5C4.Cl Cl- 1 3.944 5 1 -19.0372407906794 6602674 CC(C)C(C1=NN=NN1CC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CO4.Cl Cl- 1 3.04 6 1 0 -13.6917948324727 6602672 CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCN(CC2)C3=CC=CC=C3.Cl Cl- 1 4.47 3 1 -2.98536981390222 6602671 CC1(C2CCC(C2)C1(C)NC(=O)CN3CCOCC3)C.Cl Cl- 1 1.467 2 2 0 -7.31731762195428 6602670 CC(C)(C)C1=C(C=CC(=N1)CN2CCOCC2)O.Cl Cl- 1 2.242 2 2 2.20058607083183 6602669 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(C3=CC=CC=N3)C4=NN=NN4CCOC.Cl Cl- 1 2.874 7 1 0 -15.6786603615125 6602668 CN1C2=C(C=C1C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)SC=C2.Cl Cl- 1 3.297 3 3 -0.846582198997877 6602667 CCC(C1=NN=NN1CCOC)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F.Cl Cl- 1 2.855 6 1 0 -11.4185701452292 6602666 CN1CCN(CC1)C(C2=CC=C(C=C2)F)C3=NN=NN3CC4=CC=CS4.Cl Cl- 1 2.612 6 0 -13.0055609636113 6602664 CC(C)(C)N1C(=NN=N1)C(C2=CC(=C(C=C2)OC)OC)N3CCN(CC3)CC=C.Cl Cl- 1 2.598 6 2 0 -16.8170442628208 6602662 CN1CCCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl Cl- 1 4.199 2 0 -7.15881390459275e-002 6602661 CC1=CC=CC=C1OCC(=O)NCCN2CCCC2.Cl Cl- 1 1.959 2 2 0 -7.88056135145193 6602660 C1CCN(CC1)CCOC(=O)C2=CC=CC=C2Cl.Cl Cl- 1 3.405 1 2 -3.33619255363802 6602659 CCOC1=CC=C(C=C1)NC2=NCCC(=O)N2CC3=CC=CS3.Cl Cl- 1 2.786 3 2 -5.2256235345579 6602658 C1CCC(CC1)N2C(=NN=N2)CN3CCC(CC3)(C4=CN=CC=C4)O.Cl Cl- 1 0.987 6 1 0 -15.1688584040824 6602657 CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C4=NN=C(S4)CC.Cl Cl- 1 3.036 6 0 -1.74246246992994 6602656 CCCCCOC1=C(C=C(C=C1)CN2CCOCC2)Cl.Cl Cl- 1 4.024 1 2 0.631646522783035 6602655 C1CCC(C1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=NN=NN4CC5=CC=CS5.Cl Cl- 1 4.014 6 0 -12.1081993558437 6602654 CCN1CCN(CC1)C(C2=CC(=C(C=C2)OC)OC)C3=NN=NN3C(C)(C)C.Cl Cl- 1 2.33 6 2 0 -13.8179798942127 6602653 CC(C)CC(C1=NN=NN1CC2CCCO2)N3CCN(CC3)C4CCCC4.Cl Cl- 1 2.841 6 1 0 -22.2102100097168 6602652 CCCCC(C1=NN=NN1CCOC)N2CCN(CC2)C3=CC(=CC=C3)OC.Cl Cl- 1 2.809 6 2 0 -17.329448173557 6602651 CCCC(C1=NN=NN1C2CCCCC2)N3CCN(CC3)C4CCCC4.Cl Cl- 1 4.088 6 0 -21.8580100561771 6602649 CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)Cl)N3CCN(CC3)C.Cl Cl- 1 3.202 6 0 -7.6822273897815 6602648 CCCCC(C1=NN=NN1CCOC)N2CCN(CC2)C(=O)C3=CC=CO3.Cl Cl- 1 1.473 6 3 0 -25.4524476390582 6602647 COC1=CC=C(C=C1)CN2C(=NN=N2)C(C3=CC=CC=C3)N4CCN(CC4)C5CCCC5.Cl Cl- 1 4.052 6 1 0 -14.2594067634665 6602646 CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2F)N3CCN(CC3)C4CCCC4.Cl Cl- 1 3.622 6 0 -8.14984640986332 6602645 CC(C)CC(C1=NN=NN1CCOC)N2CCN(CC2)C3=CC(=CC=C3)OC.Cl Cl- 1 2.605 6 2 0 -17.2719380555439 6602644 CN1CCN(CC1)C(C2=CC=CC=C2Cl)C3=NN=NN3CC4=CC=C(C=C4)OC.Cl Cl- 1 3.314 6 1 0 -13.5721715321836 6602643 C1CCC(CC1)NC(=O)NC2CCN(CC2)CC(=O)N3CCOCC3.Cl Cl- 1 0.292 4 3 0 -12.0585693624637 6602642 CC(C(=O)N1CCC2=CC=CC=C2C1)NCC3=CC=CO3.Cl Cl- 1 1.957 2 2 0 -9.59158469170422 6602641 C1CCN(CC1)C(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)F.Cl Cl- 1 2.998 3 1 -3.85478317916123 6602640 CC1=NC2=CC=CC=C2N1C3CCN(CC3)CC4=NN=NN4CCC5=CC=CC=C5.Cl Cl- 1 2.914 7 0 0 -20.6206514010954 6602639 C1CN=C(N(C1=O)CC2=CC=CC=C2)NC3=CC=C(C=C3)F.Cl Cl- 1 2.92 3 1 -2.40582188314174 6602638 CCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC)Cl.Cl Cl- 1 3.206 3 1 -5.30207129733063 6602637 CCCC(C1=NN=NN1C(C)(C)CC)N2CCN(CC2)C3CCCC3.Cl Cl- 1 3.685 6 0 -12.8718132081177 6602636 C1OC2=C(O1)C=C(C=C2)CNCCC3=CNC4=CC=CC=C43.Br Br- 1 3.333 2 2 -2.6123627381711 6602635 C1CCC(C1)N2CCN(CC2)CC3=NN=NN3CCC4=CC=CC=C4.Cl Cl- 1 2.671 6 0 -14.6887991434723 6602634 C1CCN(CC1)CC2=NC(=C(C=C2)O)C3=CC=CC=C3.Cl Cl- 1 3.59 2 1 8.23321197520261 6602632 CC(C)CC(C1=NN=NN1C(C)(C)C)N2CCN(CC2)C3CCCC3.Cl Cl- 1 3.413 6 0 -11.9083730589107 6602631 CCC(C1=NN=NN1C2CCCC2)N3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 2.093 6 2 0 -26.489469826036 6602630 COC1=CC=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3OC)C4=NN=NN4C5CCCC5.Cl Cl- 1 4.124 6 2 0 -19.3722488020025 6602626 CC(C)CC(C1=NN=NN1CCOC)N2CCN(CC2)C(=O)C3=CC=CO3.Cl Cl- 1 1.268 6 3 0 -25.3949375210451 6602625 CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.Cl Cl- 1 3.012 1 7 0 -7.38896161312611 6602624 CC1=CC(=C(C=C1)C)NC2=NCC(=O)N2CC=C.Cl Cl- 1 2.472 3 1 -5.61642587388868 6602623 C1COCCN1CCCN(C2=NC(=CS2)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4.Cl Cl- 1 3.254 3 3 -0.943508235776091 6602622 CC(C1=CC=CC=C1)N2C=NC=C2C(=O)N3CCCC3=O.Cl Cl- 1 1.629 3 2 0 -10.699757441381 6602619 CCCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)N4CCCCC4.Cl Cl- 1 2.843 5 1 -4.02737018761433 6602618 CC1=CC2=C(C=C1)N=C(N2)C3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 3.038 3 2 -3.02784037666558 6602617 CCC1=CC=CC=C1NC(=O)CN2CCC(CC2)NC(=O)COC.Cl Cl- 1 0.799 3 3 0 -10.9300968013453 6602616 COCCN1C(=NN=N1)CN2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O.Cl Cl- 1 1.091 5 2 0 -13.0279464962546 6602615 CC1=CC(=C(C=C1)C)N2C(=O)CN=C2NC3=CC=CC=C3Cl.Cl Cl- 1 4.096 3 1 -0.569307903834502 6602614 C1C(=O)N(C(=N1)NC2=CC=CC=C2F)C3=CC=CC=C3.Cl Cl- 1 2.664 3 1 -1.83225666390946 6602613 C1CN(CCC1O)CC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42.Cl Cl- 1 2.327 2 2 -5.57278907563502e-002 6602610 CC1=CC2=C(C=C1)N(C(=C2C(=O)OC)C(=O)OC)CCCN.Cl Cl- 1 2.051 2 4 -5.25192793116477 6602609 CC1=CC(=CC=C1)NC2=NCC(=O)N2CC=C.Cl Cl- 1 1.985 3 1 0 -2.88948997436971 6602607 COC1=CC=C(C=C1)C2=CSC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=CO4.Cl Cl- 1 3.032 3 4 0 -2.06835147038548 6602605 C1CCC(C1)(C2=CC=CC=C2)C(=O)OCCN3CCCC3.Cl Cl- 1 3.74 1 2 -3.61023647923025 6602604 CN(CCC1=CC(=C(C=C1)OC)OC)CCN2C(=O)C3=CC=CC=C3C2=O.Cl Cl- 1 2.872 2 4 -4.55169711780222 6602603 CN(C)[C@@H]1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)[C@]2(C(=O)/C(=C(\N)/O)/C1=O)O)O)O)N(C)C.Cl Cl- 1 0.405 3 7 0 -4.1186134044964 6602602 C1COCCN1CCCN/C(=C\2/C(=O)C3=CC=CC=C3NC2=O)/O.Cl Cl- 1 0.431 3 4 0 -11.2126942766619 6602601 C1=CC2=C(C(=C1)OC(=O)C3=CC=CS3)N=CC=C2.Cl Cl- 1 3.401 1 2 -8.62240614844185 6602600 COC1=CC(=C(C=C1)NC2=NCC(=O)N2C3=CC=CC=C3)OC.Cl Cl- 1 2.426 3 3 -4.00781454903587 6602599 CC1=CC(=CC(=C1)NC2=NCC(=O)N2CC=C)C.Cl Cl- 1 2.472 3 1 -5.31149820504213 6602598 C1CN(CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)NCC4=CC=CO4.Cl Cl- 1 1.782 5 2 0 -21.2247244149164 6602597 C1CCN(C1)CC2=NN=NN2CC3=CC=CC=C3.Cl Cl- 1 1.451 5 0 0 -15.5204438472796 6602595 CC12CN3CC(C1=O)(CN(C2)C3C4=CC5=CC=CC=C5N4)C.Br Br- 1 2.89 3 1 -2.09151672913548 6602591 C1CN(CCN1CCN2CCN3C2=NC4=CC=CC=C43)CC5=CC=CC=C5.Cl Cl- 1 3.133 5 0 -1.55184070159079 6602590 CC(C)CC(C1=NN=NN1CCOC)N2CCN(CC2)CC=C.Cl Cl- 1 1.566 6 1 0 -24.3645897649137 6602589 CCC(C1=NN=NN1CCOC)N2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 1.824 6 1 0 -17.4480311491567 6602588 CCN(CC)CCNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CC=C)O.Cl Cl- 1 2.627 3 3 -8.28291569036344 6602587 CC1=NC(=NN1)SC2CS(=O)(=O)C=C2.Br Br- 1 0.294 3 2 0 -0.493786389794133 6602586 CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CN2C=CC=CC2=N.Cl Cl- 1 2.515 3 2 -8.82151092805181 6602585 COC1=CC=CC(=C1)NC2=NCC(=O)N2CC3=CC=CS3.Cl Cl- 1 2.189 3 2 -0.388119442751645 6602584 COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)CN4CCCCC4.Cl Cl- 1 3.56 4 2 -1.93099599598139 6602583 CCC1=CC2=C(N=CN=C2S1)NCCN3CCCCC3.Cl Cl- 1 3.328 4 0 -0.39233658338377 6602582 CC(CN(C)CC1=CC=CC=C1)OC(=O)C2=CC=CS2.Cl Cl- 1 3.738 1 2 -3.73408658330172 6602581 C1CCC(CC1)N2C(=NN=N2)CN(CC3=CC=CO3)CC4=CC=CS4.Cl Cl- 1 3.354 5 1 -21.3444692664677 6602579 CC1=C(OC2=CC=CC=C12)C(=O)OC(C)CCN(C)C.Cl Cl- 1 3.345 1 3 1.39587762779428 6602578 CCOCCN1CCC(C(C1)C)OC(=O)C.Cl Cl- 1 0.798 1 3 0 -7.10135456397403 6602577 COC1=CC=C(C=C1)C2=C(N3CCCC3=N2)Br.Br Br- 1 2.937 2 1 4.65679984610994 6602576 C1CC(=NC1)NCC(=O)C2=CC3=C(C=C2)OCCO3.Cl Cl- 1 0.931 2 3 0 -11.4969904136601 6602575 C1CC(OC1)CNCC(=O)NC2=CC=CC=C2N3C=CC=C3.Cl Cl- 1 1.655 3 2 0 -11.1995688397789 6602574 CCC(=O)OC1(CC(N(CC1C)C)C)C2=CC(=CC=C2)C.Cl Cl- 1 3.55 1 2 -3.62951434222967 6602573 CCC(C)(C)N1C(=NN=N1)CN2CCSCC2.Cl Cl- 1 1.294 5 0 0 -9.48948970842369 6602572 CC1=C(SC(=N1)NC2=CC=CC=N2)C(=O)C.Br Br- 1 1.442 3 1 0 -2.24042907180984 6602571 COCCN1C(=NN=N1)CN2CCC(CC2)CC3=CC=CC=C3.Cl Cl- 1 1.933 5 1 0 -16.1009862711319 6602569 C1CC(OC1)CN2C(=NN=N2)C(C3=CC=CC=C3Cl)N4CCC(CC4)C(=O)N.Cl Cl- 1 1.623 6 2 0 -22.2277606603428 6602566 CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)N4CCN(CC4)CCO.Cl Cl- 1 0.907 6 1 0 10.3453806673789 6602565 C1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4.Cl Cl- 1 3.009 4 1 2.98201986939745 6602564 CCNCCNC(=O)C1=C(N2CCCC3=CC=CC(=C32)C1=O)O.Cl Cl- 1 1.656 3 3 0 -7.15515505996572 6602563 C1COCCN1C(C2=CC=CS2)C3=NN=NN3CC4=CC=CC=C4.Cl Cl- 1 2.35 5 1 -16.2431695913826 6602562 C1CN(CC2=CC=CC=C21)C(C3=CC=CS3)C4=NN=NN4CC5=CC=CC=C5.Cl Cl- 1 4.321 5 0 -16.5700384305362 6602561 COCCN1C(=NN=N1)CN2CCN3CCCC3C2.Cl Cl- 1 -0.277 6 1 0 -14.5910518991961 6602560 C1CC2=CC=CC3=C2N(C1)C(=C(C3=O)C(=O)NCCNCCO)O.Cl Cl- 1 0.768 3 4 0 -5.49212938018432 6602559 CCOC(=O)CNC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)O.Cl Cl- 1 3.343 3 3 -2.28797665999951 6602558 CCOC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)N3CCOCC3.Cl Cl- 1 3.315 1 3 -7.08918776445134 6602557 CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NN=N2)C(CC(C)C)N3CCN(CC3)C(=O)C4=CC=CO4.Cl Cl- 1 3.042 6 4 0 -25.6187610928874 6602556 CCCOC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)N3CCOCC3.Cl Cl- 1 3.838 1 3 -6.63419898043812 6602555 COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC.Cl Cl- 1 3.599 1 4 -7.70678218891698 6602554 CCN(CC)CCOC(=O)C1=CC(=CC=C1)Br.Cl Cl- 1 3.27 1 2 -3.65573668214223 6602553 C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)O.Cl Cl- 1 2.814 4 2 1.89656531599021 6602552 C1CCN(C1)C2=NC(=NC3=CC=CC=C32)NC4=CC=C(C=C4)O.Cl Cl- 1 3.122 4 1 5.78706122123469 6602551 CCN(CC)CC.CC1=NNC(=NC1=O)SCC(=O)NCC2=CC3=C(C=C2)OCO3.Cl Cl- NEt3 1 0.963 4 4 0 -21.132744146842 6602550 CC(C)C(C1=NN=NN1CCOC)N2CCOCC2.Cl Cl- 1 0.291 5 2 0 -18.1597901803543 6602549 CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)OCCN(C)C.Cl Cl- 1 2.276 2 3 -1.272143958077 6602548 COCCN1C(=NN=N1)CN2CCOCC2.Cl Cl- 1 -1.037 5 2 0 -22.6586359873877 6602547 C1CCC(CC1)N2C(=NN=N2)CN3CCC(CC3)N4C5=C(C=C(C=C5)F)N=N4.Cl Cl- 1 2.902 8 0 0 -18.9766808525755 6602544 CC(C)CCN1C(=NN=N1)C(C2=CC=CC=C2)N3CCN(CC3)CC=C.Cl Cl- 1 3.28 6 0 -20.2797670129864 6602543 CC(CNC(=O)C1=CC(=CN=C1)O)NC(=O)C2=CC(=CN=C2)O.Cl Cl- 1 -0.513 4 4 0 -10.4653297373201 6602541 C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)NC4=CC=CC=C4O.Cl Cl- 1 2.814 4 2 1.34616852129348 6602540 COC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=N2)NCCO.Cl Cl- 1 2.141 4 2 2.08015298947095 6602539 CN1C(=NN=C1SC)C2CCCN2.Cl Cl- 1 0.81 4 0 0 -6.15273882861891 6602537 CN(C)CCSC1=NN=C(O1)C2=CC=CC=C2.Cl Cl- 1 2.351 3 1 -4.32166857096886 6602536 CC1=NC=C(C(=C1N)COC)CN.Br Br- 1 -0.875 3 1 0 -3.58938475912981 6602535 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=N2)CCCOC)O.Cl Cl- 1 -0.186 2 4 0 -17.2463209860046 6602534 CC(C)C(C1=NN=NN1C2CCCC2)N(C)C3CCCCC3.Cl Cl- 1 3.994 5 0 -19.4029466775009 6602533 COCCCNC(C1=CC=CC=C1)C2=CC=NC=C2.Cl Cl- 1 1.76 2 1 0 -3.89160659103806 6602532 C1=CC=NC(=C1)CN(CC2=CC=CO2)C(=O)C3=C(C=C(C=C3)F)F.Cl Cl- 1 3.068 2 2 -5.89583461237357 6602531 COC1=CC(=CC(=C1OC)OC)CNC2CCCC2.Cl Cl- 1 2.72 1 3 -1.59773781754825 6602530 C1CCC(CC1)NC(=O)NC2CC3CCC(C2)N3CC(=O)NC4CC4.Cl Cl- 1 1.406 4 2 0 -10.6554405988557 6602528 C1C2CC(C1C=C2)CNCC3=CC=CO3.Cl Cl- 1 1.969 1 1 0 7.52748614459574 6602526 CCOC(=O)C1(CCN(CC1)CC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3.Cl Cl- 1 0.624 1 4 0 -1.38317367719642 6602524 CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3.Cl Cl- 1 -0.154 6 2 0 -10.8704700056431 6602523 CCC1=CC2=C(N=CN=C2S1)NCC3=CC=CO3.Cl Cl- 1 3.037 3 1 -1.79210954474586 6599357 CC(C)[C@@H](C(=O)OCC(=O)NC1=C(C(=CC=C1)Cl)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 3.526 2 7 0 -24.0931881757083 6599313 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.463 3 8 0 -22.2800694418005 6597267 CC(C)[C@@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)NC(=O)C3=CC=CC=C3 1 2.118 2 6 0 -23.7709347218438 6597225 CC(C)[C@@H](C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=CC=C2 1 2.711 2 4 -22.9599684484763 6586186 CC1=C[C@H]2[C@H]3[C@@H]([C@@H](N2C4=C1C=C(C=C4)Cl)C(=O)C5=CC=CC=C5)C(=O)N(C3=O)C6=CC7=C(C=C6)OCO7 1 4.962 2 5 0 2.02806821453302 6584729 CC1=C(C=CC2=C1NC(=O)[C@@]23[C@H]4[C@@H]([C@@H](N3)CC5=CC=CC=C5)C(=O)N(C4=O)C6=CC=C(C=C6)F)Cl 1 4.011 3 3 5.94365899604581 6582918 C1=CC=C2C(=C1)C=C[C@H]3N2[C@@H]([C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=C(C=C5)F)C(=O)N 1 1.886 3 3 0 -8.82864294742466e-002 6582014 C[C@H]1C(=O)N/C(=C/C2=CC=CC=C2Cl)/C(=O)N1 1 1.165 2 2 0 -5.13272844449286 6581795 C[C@H]1C(=O)N/C(=C/C2=CC=CC=C2Br)/C(=O)N1 1 1.249 2 2 0 -6.15016941037916 6581476 CC(C)(C)NC(=S)NNC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 1 2.728 3 1 -11.5261128310818 6579532 COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3)OC 1 3.486 3 4 0 -9.83588007458248 6579165 C1[C@@H]([C@H]1C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3 1 3.256 3 2 -7.52037662193951 6578905 COC1=CC(=CC(=C1)C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3)OC 1 3.018 3 4 0 -11.0152141005203 6578895 COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3 1 3.018 3 4 0 -8.49472871730273 6578678 COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3)OC 1 3.018 3 4 0 -13.2032239970112 6578542 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3 1 3.002 3 5 0 -12.1250285799485 6577948 C1COCCN1CCN2C(=O)[C@@H](NC2=O)CC3=CC=CC=C3 1 0.912 3 3 0 -7.46423921517067 6576809 COC1=C(C=C(C=C1)[C@H]2[C@@H](CC3=C(C=C(C=C3O2)OC)OC)O)OC 1 2.924 0 6 -5.08009053555122 6576116 CCC1=C(N=C(NC1=O)SCC(=O)N2CCC3=CC(=C(C=C3[C@@H]2C)OC)OC)O 1 3.064 3 5 0 -27.0407531556987 6575509 CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N(C)CC(OC)OC)OC)OC)OC 1 2.064 2 7 0 -11.7904389297172 6574716 C[C@H]1C2=CC(=C(C=C2CCN1C(=O)CSC3=NC(=C(C(=O)N3)C(C)C)O)OC)OC 1 3.316 3 5 0 -27.0981123744647 6574175 COC1=C(C=C(C=C1)C(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)OC 1 1.089 2 4 0 -12.8465787436655 6572379 CC1(C2=C(C[C@H]3N1C(=O)N(C3=O)CC4=CC=C(C=C4)OC)C5=CC=CC=C5N2)C 1 3.779 3 3 -3.53695886496535 6572255 CC(C)[C@H]1C(=O)N(C(=O)N1)CCC2=CC=C(C=C2)OC 1 2.261 2 3 -2.23209186149012 6569745 CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OC(C)C(=O)N[C@@H](C4=CC=CC=C4)C(=O)O 1 4.547 1 6 0 -18.5969703637851 6569809 CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)N3CCC[C@@H]3C(=O)O 1 3.1 1 6 0 -12.7647048834172 6569799 CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)N4CCC[C@@H]4C(=O)O 1 2.69 1 6 0 -13.5094123652554 6569556 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N3CCC[C@@H]3C(=O)O 1 2.615 1 6 0 -13.6787705399718 6569514 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)N3CCC[C@@H]3C(=O)O 1 2.605 1 6 0 -13.3833441796031 6569645 CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC[C@@H]3C(=O)O 1 3.071 1 6 0 -10.2027758183273 6569385 CCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC[C@@H]3C(=O)O 1 2.615 1 6 0 -10.4816777764467 6569026 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC[C@@H]3C(=O)O)C 1 2.605 1 6 0 -10.9084345100023 6552971 C[C@]12CS(=O)(=O)C[C@H]1SC(=S)N2C3=CC=CC=C3 1 3.374 1 2 -5.58834513643845 6552077 COC(=O)[C@@H]1[C@H](C2(C3=CC=CC=C3C4=CC=CC=C42)N(N1C#N)C5=CC=C(C=C5)Cl)C#N 1 4.611 4 2 -1.74573570813496 6552076 COC(=O)C[C@@]1(CN(N(C12C3=CC=CC=C3C4=CC=CC=C24)C5=CC=C(C=C5)Cl)C#N)C(=O)OC 1 4.566 3 4 0 -2.5441486235281 6546894 CC(C)[C@@H](C(=O)O)NC1=NC=NC2=C1OC3=CC=CC=C32 1 2.667 3 3 -4.50255057467784 6546196 CC1=CC=CC=C1N2C(=NNC2=S)[C@@H]3C[C@H]3C4=CC=CC=C4 1 4.542 3 0 -5.68062595231151 6546259 CC1=CC=C(C=C1)N2C(=NNC2=S)[C@@H]3C[C@H]3C4=CC=CC=C4 1 4.542 3 0 -4.44778485920373 6546221 C1[C@H]([C@@H]1C2=NNC(=S)N2C3=CC=CC=C3)C4=CC=CC=C4 1 4.056 3 0 -5.00211951639421 6546218 C1[C@H]([C@@H]1C2=NNC(=S)N2C3=CC=CC=C3Cl)C4=CC=CC=C4 1 4.72 3 0 -3.48096618169359 6545265 CC(C)(C)OC(=O)NN1CC(=O)N2CC3=CC=CC=C3C[C@@H]2C1=O 1 1.068 3 4 0 -10.396896456355 6545196 C[C@H]1C(=O)N/C(=C/C2=CC=C(C=C2)C)/C(=O)N1 1 0.986 2 2 0 -7.50240182524321 6545175 CC1(C2=C(C[C@H](N1C(=O)CCl)C(=O)OC)C3=CC=CC=C3N2)C 1 2.78 2 3 -6.13539225033548 6544462 C[C@@H]1CC[C@H](C2=C1C(=NN2)C3=CC=CC=C3OC)C(C)C 1 5.009 2 1 -0.739968849933573 6544456 C[C@@H]1CC[C@H](C2=C1C(=NN2)C3=CC=CC=C3)C(C)C 1 5.026 2 0 2.63837010458573 6544420 CC(C)(C)C(=O)N1CCC[C@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 4.128 1 2 -5.67075753563784 6544419 C1C[C@H](NC1)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O 1 3.197 1 1 -2.02542017001816 6544295 CC(C)C1=CC2=C(C=C1)N[C@@H]([C@H]3[C@@H]2OCC3)C4=CC=CS4 1 4.042 1 1 -2.81906478315668 6544294 C1CO[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)Br)C4=CC=CS4 1 3.596 1 1 -3.14495019391776 6544293 CCC1=CC2=C(C=C1)N[C@@H]([C@H]3[C@@H]2OCC3)C4=CC=CS4 1 3.79 1 1 -3.77552803303298 6543919 CCOC(=O)[C@@H]1[C@H](C(=NN1)C(=O)OC)C2=CC=CC=C2 1 1.286 2 4 0 -9.96770444648631 6543916 COC(=O)[C@@H]1[C@H](C(=NN1)C(=O)OC)C2=CC=CC=C2 1 0.937 2 4 0 -7.99548714654076 6540548 C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\NN5CCN(CC5)C6CCCC6)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C 1 2.79 4 12 0 -12.9200000765004 6538887 C1=CC=C(C=C1)C2=C3C(=NN=C2C4=CC=CC=C4)NN=C3NC(=O)NC5=CC=CC=C5 1 4.752 6 1 0 -1.81212622211023 6538680 CC1=C(C=C(C=C1)N2C(=O)/C(=C/N3CCN(CC3)C(=O)C4=CC=CO4)/C(=O)NC2=S)C 1 2.817 4 4 0 -5.17656319200351 6538678 C1=C/C(=C\NN2C=NN=C2)/C(=O)C=C1 1 -0.632 4 1 0 -4.42071295495032 6538519 CCN1C(=O)/C(=C\C2=CC=C(O2)SC3=CC=C(C=C3)C)/NC1=O 1 3.415 2 3 -1.00369067007803 6538487 CC1=NC=CN1CC(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 -0.111 5 1 0 -4.55756244470081 6538476 CC\1=NN(C(=O)/C1=C/C2=CN(C3=CC=CC=C32)C)C4=CC=CC=C4 1 3.534 3 1 -1.42998352198272 6538470 C1=CC=C2C(=C1)C=CC=C2NCC(=O)NN/C=C\3/C=CC=N3 1 0.946 4 1 0 -5.69538002869615 6538464 COC1=C/C(=C/NN2C(=NNC2=S)C3CCCCC3)/C=CC1=O 1 2.22 4 2 -4.1859287298594 6538442 COC1=C/C(=C/NNC(=O)C2=NNC(=O)C=C2)/C=CC1=O 1 -1.216 4 4 0 -10.412117649095 6538410 CC1=C(C(=NN1CC(=O)NN/C=C/2\C=CC=C(C2=O)OC)C)[N+](=O)[O-] 1 -0.482 5 5 0 -9.58934869298278 6538395 CC1=CC=NN1CC(=O)NN/C=C/2\C=NN=C2C3=CC=CC=C3 1 0.526 6 1 0 -14.6560264521868 6538383 CC1=CC=NN1CC(=O)NN/C=C/2\C=NN=C2C3=CC=C(C=C3)F 1 0.731 6 1 0 -13.4696330104064 6538374 C1=CC=C(C=C1)CC(=O)NN/C=C\2/C=CC=N2 1 0.412 3 1 0 -5.5991951706831 6538350 CC1=CC=NN1CC(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 0.331 5 1 0 -13.1460807008064 6538343 CC1=CC(=NN1CC(=O)NN/C=C/2\C=NC3=CC=CC=C32)C 1 0.613 5 1 0 -11.0751333672536 6538273 CC1=NC2=CC=CC=C2C(=O)N1N/C=C/3\C=NN=C3C4=CC=CC=C4 1 1.876 5 1 0 -7.00035549723701 6538252 CC(C)N1C2=CC=CC=C2N=C1N/C=C/3\C=NC4=CC=CC=C43 1 3.293 4 0 -1.76931532249054 6538240 CN1CCC2=C(C1)SC(=C2C#N)N/C=C/3\C=NC4=CC=CC=C43 1 2.668 4 0 -9.24240779272562 6538239 CN1CCN(CC1)N/C=C/2\C=NC3=CC=CC=C32 1 0.521 4 0 0 2.03180399500797 6538226 CN1CCC2=C(C1)SC(=C2C(=O)N)N/C=C/3\C=NC4=CC=CC=C43 1 1.791 4 1 0 -5.40074234846039 6538223 CCOC(=O)C1=C(SC(=C1C)C)N/C=C/2\C=CC=C(C2=O)[N+](=O)[O-] 1 2.463 2 5 0 -13.0263941786718 6538221 CCOC1=C/C(=C/NNC(=O)CCN2C(=CC(=N2)C)C)/C=CC1=O 1 0.221 4 3 0 -14.4751220297672 6538219 COC1=CC=C(C=C1)C(=O)NN/C=C\2/C(=O)C3=CC=CC=C3S2 1 1.926 2 3 0 -3.26574039749637 6538218 CC(C)(C)N/C=C/1\C(=O)C=CC2=C1C3=C(O2)CCCC3 1 3.005 1 2 -6.65735464827106 6538206 CC1=NC(=CC=C1)N/C=C\2/C(=O)C3=CC=CC=C3S2 1 2.707 2 1 0.827647933400813 6538203 CCCC\1=NN(C(=O)/C1=C/NCC(C)C)C2=NC3=CC=CC=C3S2 1 3.461 4 1 -7.60798743521421 6538202 C\1=C(C=C(C(=O)/C1=C/NC2=NNN=C2)Br)Br 1 0.865 4 1 0 -0.552093944240286 6538199 CC1=CC(=NC=C1)N/C=C/2\C(=O)C=CC3=C2C4=C(O3)CCCC4 1 3.33 2 2 -3.5693672154631 6538195 CC1=NC(=CC=C1)N/C=C/2\C(=O)C=CC3=C2C4=C(O3)CCCC4 1 3.599 2 2 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C1COCCN1C2=CC=C(C=C2)N/C=C/3\C(=O)C=CC4=CC=CC=C43 1 2.999 2 2 -2.11141375797769 6537748 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 2.23 4 2 -5.90853210060048 6537735 CC1=C2C(=NN=C(C2=C(N1N/C=C/3\C=CC=C(C3=O)CC=C)C)C)C 1 2.213 4 1 -6.87417335633969 6537697 CC1=CC=CC=C1NCC(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 1.83 4 1 0 -5.42619967687298 6537694 CN1C=CC(=N1)C(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 0.762 5 1 0 -4.25730383956591 6537683 CCN\1C2=C(C=C/C1=C/3\C(=NN(C3=O)C4=CC=CC=C4)C)C=C(C=C2)C 1 3.95 3 1 -2.48095780550175 6537678 CCN(CC)C1=CC(=O)/C(=C/NNC(=O)OCC)/C=C1 1 0.803 3 3 0 -5.60607348503541 6537677 CC1=C(C=CO1)C(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 0.933 3 2 0 -2.46197342536644 6537676 CC1=C(C=CO1)C(=O)NN/C=C/2\C(=CN=C(C2=O)C)CO 1 -1.333 3 4 0 -3.69607958173372 6537635 CC1=CC=C(C=C1)S(=O)(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 1.873 3 2 0 -3.09695830512578 6537631 CC1=CC=CN2C1=NC(=NC)/C(=C\NC3=CC=C(C=C3)OC)/C2=O 1 1.669 4 2 0 -10.2970655066184 6537622 CC\1=CC(=O)C=C(/C1=C/NCC2=CC=CO2)O 1 0.918 1 3 0 -4.19798343676853 6537610 COC1=C/C(=C/NNC(=O)C2=NNC(=C2)C3CC3)/C=CC1=O 1 0.47 4 3 0 -2.55111946402901 6537606 CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 2.852 5 1 1.11244122316654 6537573 CC\1=NOC(=O)/C1=C\C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O 1 3.212 1 5 5.81922706370968 6537570 CC1=CC(=NN1)C(=O)NN/C=C\2/C=CC=N2 1 -0.605 5 1 0 -6.10208964935763 6537568 CCOC1=CC=C(C=C1)C(=O)NN/C=C\2/C(=NC(=O)NC2=O)C 1 0.228 4 4 0 -8.44265418192547 6537566 C1=C/C(=C\NNC(=O)CN2C=NC(=N2)[N+](=O)[O-])/C(=O)C=C1 1 -0.761 6 4 0 -10.5172237230715 6537565 COC1=C/C(=C/NNC(=O)CSC2=CC=CC=N2)/C=CC1=O 1 0.476 3 3 0 -8.19464538592368 6537555 C1=CC=C2C(=C1)C3=CC=CC=C3C2(C(=O)NN/C=C/4\C=CC=CC4=O)O 1 1.624 2 3 0 -4.91289229430395 6537545 CC(C)C1=CC(=NN1)C(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 1.831 5 1 0 -0.279726442066942 6537544 C1CCC2=C(C1)C\3=C(O2)C=CC(=O)/C3=C\NC4=CC=C(C=C4)C(=O)O 1 3.558 1 4 -8.51814799579964 6537519 CC\1=NN(C(=O)/C1=C/C2=CC=CS2)C3=CC=CC=C3 1 2.988 2 1 -3.66338422304689 6537515 CC1=C(SC(=N1)N)C(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 0.508 5 1 0 -0.556986128868886 6537512 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NS(=O)(=O)C3=CC=CS3 1 2.038 1 3 -4.57056224793495 6537428 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NC3=NC=C(C=C3)Cl 1 2.73 2 1 2.77963747933767 6537416 CCOC1=C/C(=C/C2=C(NOC2=O)C)/C=C(C1=O)Br 1 1.068 1 4 0 -3.41562560184539 6537414 C1=CC=C2C(=C1)N/C(=C\C(=O)C3=CC=C(C=C3)Br)/C(=O)O2 1 3.623 1 3 -2.27454776083175 6537407 CCOC(=O)C1=C(N=C(S1)N2C(=O)/C(=C/C3=CC=CO3)/C(=N2)C)C 1 2.205 3 4 0 -10.4645465800671 6537391 CC1=CC=C(O1)C2=CC(=NN2)C(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 1.907 5 2 0 1.70339528818151 6537375 CC1=C(C=CO1)C(=O)NN/C=C/2\C=CC=C(C2=O)OC 1 -5.6e-002 2 4 0 -4.76397877023305 6537362 C1=CC=C2C(=C1)C3=CC=CC=C3N2N/C=C/4\C=CC=CC4=O 1 3.497 2 1 -1.13419597902177 6537345 COC1=CC=CC=C1NCC(=O)NN/C=C/2\C=CC=C(C2=O)CC=C 1 1.619 3 3 0 -11.7162746613181 6537328 CC1=C(C(=NN1)C)CCC(=O)NN/C=C/2\C=CC(=O)C(=C2)OC 1 5.7e-002 4 3 0 -7.35357806279881 6537327 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC(=O)CC3=NNC(=O)NC3=O 1 -0.506 5 4 0 -18.1345479021067 6537299 CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)N3CCCC3)C4=CC=CC=C4 1 3.177 3 2 1.66568390033098e-002 6537271 C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 2.366 5 1 0.469511809838936 6537263 C1=CC=C(C=C1)NCC(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 1.344 4 1 0 -5.62184885728652 6537260 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC(=O)C3=CN=CC=C3 1 0.906 3 2 0 -4.04234237982364 6537259 C1=CC=C(C=C1)C(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 1.683 3 1 0 -3.32159007491 6537245 C1=CC(=CC(=C1)Br)C(=O)NN/C=C\2/C=CC=N2 1 1.125 3 1 0 -3.8710930930698 6537244 C1CN(CC2=CC=CC=C21)C3=NC(=O)/C(=C/C4=CC=C(C=C4)O)/S3 1 3.824 2 2 -4.61374015093015 6537225 C1CCC(CC1)C2=NNC(=S)N2N/C=C/3\C=CC(=O)C=C3O 1 1.995 4 2 0 -4.92709389340466 6537158 COC1=CC=CC=C1N2/C(=C/C=C3C=CC(=O)C=C3)/NC4=CC=CC=C4C2=O 1 3.969 2 3 -3.96622306027608 6537082 CC1=CC=CC=C1SCC(=O)NN/C=C/2\C=CC=C(C2=O)OC 1 1.574 2 3 0 -8.72559252086899 6537062 C1=C/C(=C\NNC2=NC=C(C=N2)Br)/C(=O)C=C1 1 0.625 4 1 0 -2.82507015297289 6537026 COC1=C/C(=C/NNC(=O)C2=CC3=CC=CC=C3N2)/C=CC1=O 1 1.279 3 3 0 2.64566234856953 6537004 CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)N3CCOCC3)C 1 2.256 2 4 -18.2673145342019 6536994 C1=CC=C2C=C(C=CC2=C1)N/N=C\3/C=CC(=O)C(=C3)[N+](=O)[O-] 1 3.197 3 3 -1.03988928355076 6536725 C1CCN(C1)C2=C(C=C(C=C2)/C=C(\CCC(=O)O)/C3=NC4=CC=CC=C4S3)[N+](=O)[O-] 1 4.905 3 4 0 -5.46997792071417 6536615 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)NC4CCS(=O)(=O)C4 1 3.088 3 7 0 -20.4289369564459 6536415 CC1=CC=C(C=C1)NC(=O)CCC(=O)NN/C=C/2\C=C(C=CC2=O)OC 1 0.516 3 4 0 -8.53423420873314 6536395 COC1=C/C(=C/NC2=C(C=C(O2)C3=CC=CC=C3)C#N)/C=CC1=O 1 2.704 2 3 1.75627361923244 6536391 CC1=CC=C(C=C1)NC(=O)CCC(=O)NN/C=C/2\C=CC(=O)C(=C2)OC 1 0.516 3 4 0 -6.78773623712665 6536372 CC1=CC=C(C=C1)NC(C)C(=O)NN/C=C/2\C=CC=C(C2=O)CC=C 1 2.605 3 2 -11.1523778726467 6536229 CN(C1=NS(=O)(=O)C2=CC=CC=C21)N/C=C/3\C=CC=C(C3=O)OC 1 0.482 3 4 0 -4.66052602253076 6536107 CC1C(=O)N(/C(=C/C2=NC(=CS2)C3=CC=C(C=C3)C)/S1)CC(=O)NC4=CC=CC=C4F 1 4.629 3 2 -2.70679899548293 6536014 C1=CC(=CC(=C1)Cl)NC(=O)CCC(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 0.749 4 5 0 -6.32956354701399 6535954 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=CS3)/NC(=O)C4=CC=CC=C4 1 2.617 4 3 0 -26.8503761788497 6535834 C1=CSC(=C1)/C=C\2/C(=O)OC(=N2)/C=C/C3=C(C=C(C=C3)Cl)Cl 1 5.063 1 2 -0.834529689503036 6535821 C/C(=C(/C#N)\C(=O)COC(=O)CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)/N 1 0.478 3 5 0 -15.7311816250135 6535755 CCCC(C(=O)O)N1C(=O)/C(=C/C2=CC=CN2C)/SC1=S 1 3.583 2 3 -14.4344377797632 6535602 CC(C(=O)NCCN1C(=O)/C(=C/C2=CN=CC=C2)/SC1=O)OC3=CC=C(C=C3)Cl 1 2.838 3 4 0 -10.6361179139244 6535438 C1CC2C(N(N=C2/C(=C/C3=CC=CC=C3)/C1)C(=O)C4=CC=CC=N4)C5=CC=CC=C5 1 5.145 3 1 -7.77731151864264 6535381 CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC)C4=CC=CC=C4 1 4.153 2 5 0 -16.2487071640675 6535379 C/C(=C\1/C=CC(=CC1=O)OC)/NN2CCOCC2 1 -0.224 2 3 0 -5.32428267669873 6535373 CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)O)C)/C(=O)NC2=O 1 3.93 3 5 0 -5.86954762747836 6535361 C/C=C/C=C\1/C(=O)OC(=N1)C2=CC(=C(C=C2)Cl)Cl 1 4.077 1 2 -3.33035262193004 6535326 CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 1.057 4 5 0 -10.8570744874145 6535287 CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 4.023 2 3 -8.35869448660394 6535274 C1=CC=C(C=C1)CCC(=O)NCC(=O)NN/C=C/2\C=CC(=O)C=C2O 1 1.9e-002 3 4 0 -14.1407008382361 6535273 CC1(CC2CC(C1)(CN2/C=C\3/CCCCC3=O)C)C 1 3.29 1 1 -10.9265305156115 6535225 CCOC1=C/C(=C/NNC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C)/C=CC1=O 1 2.416 3 3 -5.69263356360856 6535220 CCOC1=C/C(=C/NNC(=O)C2=CC=CC=C2N3C=CC=C3)/C=CC1=O 1 1.919 3 3 0 -7.01916412050462 6535215 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)/C(=C(\C)/N)/C#N 1 3.421 4 2 -23.4247613768854 6535149 CSC1=CC=C(C=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCCC3)\C(=O)O 1 4.06 1 4 -10.4473916779488 6535130 CCOC1=C/C(=C/NNC2=NC(=C(S2)NC(=O)C)C3=CC=C(C=C3)C)/C=CC1=O 1 1.846 4 3 0 -1.24202821262026 6535043 CN\1C2=CC=CC=C2N/C1=C(\C=C3C=C(C(=O)C(=C3)OC)OC)/C#N 1 2.372 3 3 -3.99063145885599 6535036 CCN(CC)C1=CC(=O)/C(=C/NNC(=S)NC)/C=C1 1 1.023 4 1 0 -8.72806426054413 6534923 CN1C2=N/C(=N/NNC3=CC=CC=C3F)/N=C2C(=O)N(C1=O)C 1 0.844 7 2 0 -6.54215881766735 6534867 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 0.519 6 3 0 -5.44316656634272 6534766 COC1=C/C(=C/NNC(=O)C(=O)/C=C\2/C3=CC=CC=C3CC4(N2)CCCC4)/C=CC1=O 1 1.606 3 4 0 -3.71199250910431 6534751 C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])NN/C=C/2\C=CC(=O)C=C2O 1 -0.166 4 6 0 -6.82653501203802 6534693 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C(=N/S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)/C4=CC=CC=C4 1 3.678 5 5 0 -19.3540595481976 6534622 CN(C1=C(C(=O)N(N=C1)C2=CC(=C(C=C2)F)Cl)Cl)N/C=C/3\C=NC4=CC=CC=C43 1 2.731 5 1 1.00570337516423 6534525 CC1=CC=CC=C1NC(C)C(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 2.314 4 1 -6.02859333375896 6534402 CN1C2=CC=CC=C2/C(=C(\C#N)/C3=NC4=CC=CC=C4N3)/C1=O 1 2.698 4 1 1.73149003689202 6534392 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COC1=C/C(=C/NNC2=CC=CC=C2C(F)(F)F)/C=CC1=O 1 2.402 2 2 1.9816578901035 6530507 CC(C)NC(=S)NN/C=C/1\C=NC2=CC=CC=C21 1 1.958 4 0 0 -7.82647686746808 6530456 C1=CC=NC(=C1)NN/C=C/2\C=NC3=C2C=CC=C3C(=O)O 1 1.467 4 2 0 -0.703949956362209 6530152 COC1=CC=C(C=C1)/C=C/C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCCC3=NC4=CC=CC=C4N3 1 3.382 4 4 0 -13.7634962534408 6530097 CCN1C(=NC2=C1C=CC(=C2)C(=O)NN/C(=C/3\C=CC(=CC3=O)OC)/C)C 1 1.539 4 3 0 -5.68006033257517 6530035 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCN2C(=O)/C(=C/C3=CN=CC=C3)/SC2=O 1 1.668 4 5 0 -20.4630885028522 6529992 COC1=C/C(=C/NNC2=NC(=O)C(S2)C3=CC=CC=C3)/C=CC1=O 1 1.681 3 3 0 -2.18220833553116 6529937 CCOC(=O)C1=C(N=C(S1)N2C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)OC)/C(=N2)C)C 1 2.5 3 6 0 -18.2861133612587 6529929 CC1=NC(=CS1)C/C(=C/2\C=CC(=O)C=C2O)/NN 1 -0.135 3 2 0 -2.69929892298605 6529816 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)NN/C=C/4\C=NC5=CC=CC=C54 1 2.119 8 1 0 0.373808793293234 6529787 CCOC1=C/C(=C/NNC(=O)C(=O)NC2=C(C=CC(=C2)Cl)C)/C=CC1=O 1 1.46 3 4 0 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CCOC(=O)C1=C(N=C(S1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/C(=N2)C)C 1 2.777 3 5 0 -16.8389125955606 6529291 C1=CC=C2C(=C1)C=CC(=N2)/C(=C/C3=CSC=C3)/C(=O)C(=O)O 1 3.559 1 3 -3.83614649563621 6529275 CC1=C(C(=NN1C(C)C(=O)NN/C=C/2\C=CC=C(C2=O)OC)C)[N+](=O)[O-] 1 3.e-003 5 5 0 -6.59859078579383 6529072 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NCCN3C(=O)/C(=C/C4=CC=CC=C4F)/SC3=O 1 2.488 3 4 0 -16.5930736228796 6529004 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2CCCO2)OC(=O)C3=CC=CO3 1 2.514 2 6 0 -23.1487403536473 6528830 C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC=C(C=C3)Br)/C(=O)O 1 4.266 1 4 -12.2871696729332 6528820 C1=CC(=CC=C1N2C(=O)/C(=C/C3=CSC=C3)/C(=O)NC2=O)F 1 2.514 2 3 -3.65414749194783 6527101 C/C(=C\1/C=CC=CC1=O)/NNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-] 1 1.815 3 4 0 -13.4071521076201 6527035 COC1=C/C(=C/NNC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)O)/C=CC1=O 1 1.312 2 4 0 -2.34663631515429 6526976 CC1=NC(=CS1)C/C(=C/2\C=CC(=O)C=C2O)/NNC3=CC=CC=C3 1 2.162 3 2 -1.55700557180062 6526972 C1=CC(=CC(=C1)[N+](=O)[O-])NN/C=C/2\C=CC=C(C2=O)O 1 1.129 3 4 0 -1.42838367389579 6526885 CCCCCC#C/C=C\1/CN2C3=CC=CC=C3N=C2S1 1 5.52 2 0 -0.876565190721655 6526832 CC1=NN=NN1/C(=C\C2=CC=CC=C2)/C(=O)OCC(=O)N3CC4(CC3CC(C4)(C)C)C 1 2.312 5 3 0 -19.2779718534714 6526694 C1=CC=C2C(=C1)NC(=N2)/C(=C\C3=CC=C(C=C3)Cl)/C(=O)C4=CC=CS4 1 5.72 2 1 1.62362887864432 6526576 CCNC1=NC(=NC(=N1)NN/C=C\2/C=CC(=O)C(=C2)O)NCC 1 -0.354 7 2 0 -1.33177993238001 6526561 CCOC(=O)C1=C(N=C(S1)N2C(=O)/C(=C/C3=CC=CS3)/C(=N2)C)C 1 2.763 3 3 -11.4408246174345 6526481 CC(C(=O)NCCN1C(=O)/C(=C/C2=CC=CS2)/SC1=O)N3C(=O)C4=CC=CC=C4C3=O 1 2.326 3 5 0 -17.9458606950014 6526229 C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)/C(=O)N2 1 3.751 2 5 0 -0.279734873089344 6526060 CC1=C(N2C=CC=CC2=N1)C(=O)NN/C(=C/3\C=CC(=O)C=C3O)/C 1 0.434 4 3 0 -4.73224509218571 6525933 COCCN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)OC)/SC1=NC4=CC=CC=C4 1 5.034 2 6 0 -12.0746575548722 6525926 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCN2C(=O)/C(=C/C3=CN=CC=C3)/SC2=O 1 2.851 3 6 0 -16.9515686517461 6525833 CC1(C(N(C(=S)S1)N/C=C/2\C=CC=CC2=O)N(C(=O)NC)O)C 1 1.573 4 3 0 -8.10687979659498 6525831 CC(C(=O)NCCN1C(=O)/C(=C/C2=CN=CC=C2)/SC1=O)N3C(=O)C4=CC=CC=C4C3=O 1 1.222 4 5 0 -17.4645794540901 6525830 CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)N3)CC4=CC=CC=C4Cl 1 4.511 2 5 0 -1.35341855022462 6525815 CC1CCCC(N1N/C=C\2/C=C(C(=O)C(=C2)Br)OC)C 1 1.7 2 2 0 1.13891530792089 6525793 CC1=CC=CC=C1S(=O)(=O)/N=C(\C2=CC=CC=C2)/NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.959 4 3 0 -20.7910199630338 6525727 COC1=CC=C(C=C1)N/C=C(\C=C\C#N)/S(=O)(=O)C2=CC=CC=C2 1 2.776 2 3 -7.20241799607305 6525537 C1CN(CCN1CCC(=O)NN/C=C/2\C=CC(=O)C=C2O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.212 4 3 0 -7.87851521237017 6525558 CC\1=NN(C(=O)/C1=C/C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(C=C3)Br 1 3.734 2 4 -7.63389646449823 6525568 CC/C(=C\1/C=CC=CC1=O)/NNC(=O)C(=O)N 1 -0.472 3 3 0 -6.46685133817749 6525220 CC1CCCC(N1N/C(=C/2\C=CC=CC2=O)/C)C 1 2.073 2 1 -5.03852497334094 6525140 C1=CC=C(C=C1)NN/C(=C/2\C=CC(=O)C=C2O)/CC3=NC4=CC=CC=C4C=C3 1 3.632 3 2 2.8175133479973 6525097 CC1=CC=CC=C1N2C(=CC(=C2C)/C=C(\C#N)/C(=O)NCC3CCCO3)C 1 3.357 3 2 -19.7681841959676 6525083 C1=CC=C(C=C1)CCN2/C(=C/C=C3C=CC(=O)C=C3)/NC4=CC=CC=C4C2=O 1 4.313 2 2 -0.981394975956968 6525063 C1CCCN(CC1)C2=NC(=NC(=N2)NN/C=C/3\C=CC(=O)C=C3O)N4CCCCCC4 1 2.107 7 2 0 0.602603665121547 6525041 CCCCCCCCNC(=O)/C(=C/C1=CC2=C(C=C1)OCCO2)/C#N 1 4.284 2 3 -18.3541604000615 6525026 CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)/C(=C(\C)/N)/C#N)Cl 1 4.085 4 2 -23.2448440619403 6525018 CCOC1=C/C(=C/NNC2=NC(=NC(=C2)C)N3C(=CC(=N3)C)C)/C=CC1=O 1 1.39 6 2 0 -3.15679527622503 6525008 C1C(=O)N/C(=C\C2=CC=CO2)/C(=O)N1 1 -0.589 2 3 0 -6.16256427508798 6524937 C1=CC=C2C(=C1)C(=O)N(/C(=C/C=C3C=CC(=O)C=C3)/N2)C4=CC=CC=C4O 1 3.743 2 3 1.01942728192777 6524889 COC1=CC=C(C=C1)C2(NC(=O)N(/C(=C(/C#N)\C3=NN=C(N3C4=CC=CC=C4)N5CCOCC5)/S2)CC=C)C(F)(F)F 1 4.669 7 3 0 -12.5319780932956 6524899 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)NN/C=C/2\C=CC=C(C2=O)OCC 1 0.374 4 4 0 -12.8913112043175 6524819 C=CCC1=CC=C/C(=C\NNC(=O)CCC(=O)NC2=CC=C(C=C2)F)/C1=O 1 1.516 3 3 0 -11.395281169936 6524822 C/C(=C\1/C=CC(=CC1=O)OC)/NNC2=CC=CC=C2Cl 1 2.638 2 2 -1.45174902230784 6524839 COC1=C/C(=C/NNC(=O)/C(=C/C2=CC=CC=C2)/CCO)/C=CC1=O 1 0.839 2 4 0 -2.74351284478068 6524677 C1=CC2=C(C=CN=C2C=C1Cl)NN/C=C\3/C=CC(=O)C(=C3)O 1 2.085 3 2 2.05336522886398 6524630 C1CCN(CC1)N/C=C/2\C=CC(=O)C=C2O 1 0.266 2 2 0 -1.85527743880615 6524509 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)F)OCC4=CC=C(C=C4)C(=O)O 1 2.981 3 6 0 -8.87092257755419 6524439 C1=CC=C2C(=C1)C(C3=CC=CC=C32)SCC(=O)NN/C=C/4\C=CC=CC4=O 1 2.707 2 2 -7.28963602913193 6524415 C1CC(=O)N(N=C1C(=O)NCCN2C(=O)/C(=C/C3=CN=CC=C3)/SC2=O)C4=CC=CC=C4 1 1.328 5 4 0 -17.345630008767 6524412 COC1=C(/C(=C/NNC(=O)C2=CC3=C(C=C2)OCCO3)/C=CC1=O)[N+](=O)[O-] 1 0.222 3 7 0 -12.8149923594602 6524376 CCCC/C(=C/1\C=NC2=CC=CC=C21)/NO 1 2.607 2 1 -1.80486620504951 6524335 CC1=NN=NN1/C(=C\C2=CC=CC=C2)/C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3 1 1.826 6 3 0 -15.9913271228128 6524333 C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NCCC3=NC4=CC=CC=C4N3)\NC(=O)C5=CC=CC=C5Cl 1 3.967 4 4 0 -19.8977147513347 6524080 CCOC1=C(C=CC(=C1)/C=C/2\CCCC3=C(C4=CC=CC=C4N=C23)C(=O)O)OC 1 5.394 1 4 -6.05186648334996 6524065 C1=CC=C(C(=C1)CN2C(=O)/C(=C\C3=CC=CN3C4=CC=C(C=C4)F)/NC2=O)F 1 4.104 3 2 -1.50817965823269 6524061 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCN2C(=O)/C(=C/C3=CN=CC=C3)/SC2=O 1 2.234 4 5 0 -12.7196334128563 6523927 CC1=CC=C(C=C1)NC(=O)CCC(=O)NN/C=C/2\C=CC=CC2=O 1 0.828 3 3 0 -9.35399221627631 6523757 CC(CN/C=C/1\C=C(C=CC1=O)OC)N/C=C/2\C=C(C=CC2=O)OC 1 6.1e-002 2 4 0 -5.52360209249359 6523699 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCN3C(=O)/C(=C/C4=CC=C(C=C4)F)/SC3=O 1 2.015 3 6 0 -25.417145792263 6523642 C/C(=C(/C#N)\C(=O)COC(=O)CCS(=O)(=O)C1=CC=CC=C1)/N 1 0.433 2 5 0 -21.7938047723885 6523638 C\1C2=CC=CC=C2C(=O)/C1=C/C3=CC=NC=C3 1 2.656 1 1 2.32940366887909 6523624 CCOC1=CC=CC(=C1)OC2=C(C=CC=N2)C(=O)/C(=C/N(C)C)/C#N 1 2.844 3 3 -7.23253852194484 6523672 COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)N2)CC3CCCO3 1 2.378 2 3 -9.91921917843345 6523470 CC1=C(C=C(C=C1)S(=O)(=O)NN/C=C\2/C=CC(=O)C(=C2)O)[N+](=O)[O-] 1 0.552 3 6 0 -7.0458599059036 6523576 CC\1CC/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)/C1=C/C4=CC5=C(C=C4)OCO5 1 4.925 0 5 -0.176917822665604 6523423 CCCC#C/C=C\1/CN2C3=CC=CC=C3N=C2S1 1 4.607 2 0 0.213205854995789 6523357 C1C/C(=C(/C#N)\C2=CC=CC=N2)/NC1 1 1.045 3 0 0 -9.18197904127302 6523294 CN1C2=CC=CC=C2N=C1NN/C=C/3\C=NC4=CC=CC=C43 1 2.075 5 0 2.27419835090965 6523261 CN1C=C(C(=N1)C(=O)NN/C=C/2\C=NC3=CC=CC=C32)[N+](=O)[O-] 1 0.656 6 3 0 -4.29689457710142 6522870 CC1=CC=CC(=C1)/C=C(/C2=NC3=CC=CC=C3C=C2)\C(=O)C(=O)O 1 4.383 1 3 -0.905605853448942 6522797 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.728 3 7 0 -10.2224339737572 6522725 CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)/C=C/3\C(=C(C(=O)NC3=O)C#N)C)Cl 1 3.911 2 5 0 -2.90458165814989 6522724 CCN1C2=CC=CC=C2/C(=C(\C#N)/C3=NC4=CC=CC=C4N3)/C1=O 1 3.047 4 1 0.567835559639495 6522920 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC3=NC(=CC(=N3)Cl)N 1 1.594 5 1 0 0.527475654530676 6522912 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC3=CC(=C(C=C3)Cl)C(=O)O 1 3.117 2 3 -0.456141731530742 6522902 C=CCNC(=O)/C(=C/C1=CC=CC=C1Cl)/C#N 1 2.626 2 1 -15.3533848010127 6522604 C1OC2=C(O1)C=C(C=C2)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3 1 3.699 1 4 -3.95710947017015 6522541 COC1=C/C(=C/C(=C/2\NN=C(N2C3=CC=CC=C3)N4CCOCC4)/C#N)/C=CC1=O 1 1.697 5 3 0 -9.19241006599564 6522483 CCC(C)N=C1/C(=C\NC2=CC=C(C=C2)OC)/C(=O)N3C=CC=C(C3=N1)C 1 2.919 4 2 -11.2033947454802 6521852 CCOC1=C/C(=C/NNC(=O)C(C)SC2=CC=CC=N2)/C=CC1=O 1 1.309 3 3 0 -8.39289496217697 6521795 COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC=C)OC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5 1 3.346 6 5 0 -16.1132304791234 6521640 C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=CO2)NC(=O)CN3C(=O)/C(=C/C4=CC=C(C=C4)F)/SC3=O 1 2.666 3 6 0 -12.3418215791064 6521681 CCCC1CCC(CC1)C2=N/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/C(=O)O2 1 4.89 1 5 -11.6149732189554 6521579 CC\1=NC2=CC=CC=C2/C1=C/NNC(=S)NCCOC 1 1.179 4 1 0 -11.2622480664559 6521535 COC1=CC=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=CC(=CN=C3)Br 1 2.894 2 3 -8.19534790827387 6521532 COC1=CC=CC(=C1)/C=C\2/C(=O)OC(=N2)C3=CC(=CN=C3)Br 1 2.894 2 3 -8.21809195188938 6521439 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)/N=C(\C2=CC=CC=C2)/NC3=NC(=CS3)CC(=O)OCC 1 4.125 3 5 0 -14.6783059683163 6521340 C1=CC=C(C=C1)NN/C(=C/2\C=CC(=O)C=C2O)/CC3=CC=CC=N3 1 2.295 3 2 -2.0714079495377 6521139 CCOC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=N2)/C#N 1 3.05 2 4 -14.0250760661318 6521134 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC(=CC=C3)Br 1 4.159 3 6 0 -22.8804394698439 6521114 COC1=C(C=C(C=C1)/C=C/C(=O)/C(=C/2\NN=C(N2C3=CC=CC=C3)N4CCOCC4)/C#N)OC 1 2.911 5 4 0 -13.4499450143045 6520877 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3=CC=CO3)C4=CC=CC=C4 1 4.098 5 4 0 -14.4828473098529 6520828 C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/CCC(=O)O 1 4.946 2 4 -5.92779877494178 6520797 CCC1=CC=C(C=C1)/C=C/2\CN(CC3=C(C4=CC=CC=C4N=C23)C(=O)O)CC 1 2.104 2 2 0.790468885416273 6520784 CC1=CC(=CC=C1)NC(=O)CCC(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 0.571 4 5 0 -7.19078725039031 6520768 CC1=C(C=CC(=C1)Cl)NC(=O)CCC(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 1.235 4 5 0 -9.10761867836708 6520713 CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCC(=O)N2CCCCCC2 1 1.617 2 4 0 -13.317096487975 6520690 CC1CCCC(N1N/C=C/2\C=C(C=C(C2=O)Br)Br)C 1 2.464 2 1 -1.94673404763759 6520668 C1=CC=C2C(=C1)NC(=C(/C(=C(/Cl)\Br)/Cl)[N+](=O)[O-])N2 1 3.388 3 2 -1.21815528465862 6520605 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC(C)C(=O)O)OC)/SC2=O 1 3.203 2 7 0 -14.0639300560388 6520603 C1=CC(=CC(=C1)N/N=C\2/C=CC(=O)C(=C2)C=O)C(=O)O 1 1.789 2 4 0 -6.1777122566388 6520573 CC1CCCC(N1N/C=C/2\C=NC3=C2C=C(C=C3)Br)C 1 2.985 3 0 0.491676079686833 6520560 CC1=CC=CC(=C1O)C(=O)OCC(=O)/C(=C(\C)/N)/C#N 1 1.051 2 4 0 -9.47276606390158 6520528 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)O)C)/NC2=O 1 2.862 4 5 0 -12.0147030795256 6520504 CCN1C(=O)/C(=C/N2CCC3=CC=CC=C3C2)/SC1=S 1 3.076 2 1 -8.10088664927277 6520467 CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)/C(=C(\C)/N)/C#N 1 3.421 4 2 -23.673782093234 6520369 CC(C1=CC=CC=C1)NC(=O)/C(=C/C=C/C2=CC=CC=C2OC)/C#N 1 3.757 2 2 -9.975222837612 6520321 CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)/C(=C(\C)/N)/C#N)C)C 1 3.677 3 1 -8.13603216262292 6520275 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)/C(=C(\C)/N)/C#N 1 1.871 2 5 0 -2.44745778047205 6520257 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)/C(=C/C2=CC=C(C=C2)F)/C3=CC=CS3 1 4.03 2 5 0 -15.0599521612735 6520192 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN/C=C\3/C=CC(=O)C(=C3)O 1 4.7e-002 3 5 0 -17.5611378291972 6520144 C1=CC=C(C(=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCCC3=NC4=CC=CC=C4N3)Br 1 3.679 4 3 0 -16.6179756760638 6520117 COCCN1C(=O)/C(=C/C2=CC(=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-])OC)/SC1=NC4=CC=CC=C4 1 4.681 4 6 0 -11.1109239189734 6520089 CCN(CC)C1=CC(=O)/C(=C/NN2C(CCCC2C)C)/C=C1 1 2.028 3 1 -4.98145873104958 6520001 C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/C3=CC=CC=N3)/SC2=S 1 2.861 3 3 -7.04928439671727 6519946 CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCC(=O)N(C)C2CCCCC2 1 2.101 2 4 -13.3962344390097 6519903 C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)O)/C1=C/C4=C(C=C(C=C4)OC(F)F)OC(F)F 1 4.442 2 5 0 -3.96864351818425 6519820 CC1=CC=C(C=C1)NC(=O)CCC(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 0.571 4 5 0 -9.07843280371944 6519786 C/C(=C\1/C=CC(=O)C=C1O)/NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 1.965 4 3 0 -7.89916920143482 6519770 CCOC1=CC=C/C(=C\NCCC2=CC(=C(C=C2)OC)OC)/C1=O 1 2.153 1 4 -10.2182470947534 6519723 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C\C3=CC(=C(C=C3)OCC(=O)N)OC)/NC2=O 1 0.886 4 6 0 -15.613793290913 6519710 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCCN3C(=O)/C(=C/C4=CC=CC=C4Cl)/SC3=O 1 2.96 3 6 0 -23.4980779999629 6519655 CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(=O)/C(=C(\C)/N)/C#N 1 1.793 2 4 0 -9.06931714295763 6519643 C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NCC(=O)NN/C=C/2\C=CC(=O)C=C2O 1 -0.874 4 7 0 -11.5908468848509 6519632 C/C(=C(/C#N)\C(=O)COC(=O)CNC(=O)C1=C(C=C(C=C1)Cl)Cl)/N 1 1.195 3 4 0 -14.5543130985298 6519476 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)COC(=O)/C(=C/C2=CC=CS2)/C3=CC=CS3 1 2.88 2 5 0 -14.6143022809912 6519480 C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)O)/C1=C/C4=C(C=C(C=C4)Cl)Cl 1 4.16 2 3 -1.1663594375517 6519531 CCOC1=CC=C/C(=C\NN2C(CCCC2C)C)/C1=O 1 1.596 2 2 0 -5.76237072945003 6519447 C1=C/C(=C\NNC(=O)CN2C=NC(=N2)[N+](=O)[O-])/C(=CC1=O)O 1 -1.298 6 5 0 -8.69213290746714 6519378 CC/C(=C\1/C(=O)N=C(S1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)/C 1 4.85 3 1 2.52081513876504 6519303 CC1=CC(=NC2=CC=CC=C12)SCC(=O)/C(=C(\C)/N)/C#N 1 2.705 3 1 -6.79168120126029 6519294 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)N2)CC3=CC=C(C=C3)F)OCC4=CC=C(C=C4)C(=O)O 1 3.928 2 5 0 -4.24080039497879 6519283 C1COCCN1C2=C(C=C(C=C2)/C=C(\CCC(=O)O)/C3=NC4=CC=CC=C4S3)[N+](=O)[O-] 1 4.132 3 5 0 -7.41353255759502 6519183 C1=C/C(=N\NC2=C(C=C(C=C2)N)N)/C(=O)C=C1 1 1.054 4 1 0 -1.59238988992295 6519071 C1=CC(=CC(=C1)Br)NC(=O)CCCC(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 1.289 4 5 0 -9.71311434605314 6518999 CCCCNC(=O)N(C1C(SC(=S)N1N/C=C/2\C=CC=CC2=O)(C)C)O 1 2.902 4 3 0 -10.8868806366388 6518971 C1=CC=C(C(=C1)C(=O)NN2C(=O)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])O)/SC2=S)O 1 3.291 3 6 0 -2.40486519534857 6518965 CC1=NNC(=O)C1CC(=O)NN/C=C/2\C=CC(=O)C(=C2)OC 1 -1.784 4 4 0 -13.7498089454971 6518935 COC(=O)/C(=C\NC1=CC=C(C2=CC=CC=C21)Cl)/C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.43 2 2 1.43304973298983 6518809 CC1=CC(=NC(=N1)N2CCOCC2)NN/C=C/3\C=CC(=O)C=C3O 1 -0.609 5 3 0 -1.0801085325879 6518747 CC(C)CN/C=C\1/C2=C(C=C(C1=O)[N+](=O)[O-])OC3=C2CCCC3 1 3.007 2 4 -9.59764542524373 6518656 CC1=CN2C(=N)/C(=C/C3=CC=C(O3)SC4=CC=C(C=C4)Cl)/C(=O)N=C2S1 1 4.628 3 2 -3.72519879275065 6518655 COC1=CC=C(C=C1)N=C2N(C(=O)/C(=C/C3=CC=C(O3)N4CCOCC4)/S2)CCC5=CNC6=CC=CC=C65 1 5.536 4 4 0 -2.98622605004029 6518625 C1=CC=C(C=C1)CNC(=O)CCC(=O)NN/C=C/2\C=C(C=C(C2=O)Cl)Cl 1 1.087 3 3 0 -12.3348287099306 6518624 CCN(CC)C1=CC(=O)/C(=C/NNC(=O)CCC(=O)NCC2=CC=CC=C2)/C=C1 1 0.818 4 3 0 -15.7954139857921 6518539 CCC(C(=O)O)N1C(=O)/C(=C/C(=C/C2=CC=CC=C2)/C)/SC1=S 1 4.45 1 3 -10.8301634959629 6518531 C/C(=C\1/C=NC2=CC=CC=C21)/NNC(=O)C3=CC=NC=C3 1 1.047 4 1 0 -5.04035923287735 6518494 C1C/C(=C\C2=CC(=CC=C2)F)/C3=C(C1)C(NC(=S)N3)C4=CC(=CC=C4)F 1 5.628 2 0 -13.1855731641268 6518455 CC(C)OC(=O)C(=O)/C=C(\C1=CC=CC=C1)/NC2=CC=C(C=C2)Br 1 4.593 1 3 -1.9388204751298 6518126 C/C(=C\1/C=CC(=O)C=C1O)/NNC(=O)C(=O)N 1 -1.534 3 4 0 -3.96420656246895 6518109 CC1=CC(=NN1/C(=C\N(C)C)/C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C 1 1.977 4 3 0 -9.36256742787588 6518096 C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC4=C(C=C3)OCO4.[I-] I- 1 4.68 1 2 4.43723097343887 6518077 CCOC(=O)C1=C(N=C(S1)N2C(=O)/C(=C/C3=CC=C(C=C3)OCC#C)/C(=N2)C)C 1 3.985 3 4 0 -15.75180619843 6518031 C1=CC=C(C=C1)/C=C(\CCO)/C(=O)NN/C=C/2\C=CC(=O)C=C2O 1 0.613 2 4 0 -3.76141855438494 6517977 C1=CC=C(C=C1)/C=C(/C(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O)\NC(=O)C3=CC=CC=C3 1 2.261 3 5 0 -23.990015942758 6517967 CC(C)CCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2CCCO2)OC 1 3.251 2 4 -23.6561535571567 6517919 CCOC1=C/C(=C/NNC2=NC(=C(S2)NC(=O)C)C3=CC=CS3)/C=CC1=O 1 1.314 4 3 0 -5.58211630321217 6517907 CC1CCCN(C1)C2=NC(=O)/C(=C/C3=CN(N=C3C4=CC(=CC=C4)S(=O)(=O)N(C)C)C5=CC=CC=C5)/S2 1 4.935 5 3 0 -1.83952007772182 6517905 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN/C=C/3\C=CC(=CC3=O)[N+](=O)[O-] 1 0.966 6 4 0 -15.0102013245637 6517856 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C3=NC4=CC=CC=C4N3 1 4.667 3 1 -2.1276010075246 6517848 C/C(=C\1/C=CC(=O)C(=C1)OC)/NNC(=O)CSC2=NC3=CC=CC=C3N2C 1 1.865 4 3 0 -9.20085364730577 6517721 CC1=CC(=NN1/C(=C\N(C)C)/C(=O)C2=CC=C(C=C2)Cl)C 1 2.747 3 1 -5.55295670307841 6517706 CC1=CC=C(C=C1)S(=O)(=O)NN/C=C/2\C=NC3=C2C=CC(=C3)OC 1 1.856 3 3 0 -2.59346804869081 6517685 C1C(=O)N/C(=C\C2=CC=CS2)/C(=O)N1 1 -3.1e-002 2 2 0 -7.57248547218195 6517668 CC1=CC(=N/C(=C/2\C=CC=CC2=O)/N1)NN/C(=C/3\C=CC=CC3=O)/C 1 1.138 4 2 0 -9.6557078191683 6517666 C\1CC2=C(/C1=C/C3=CC=C(C=C3)F)OC(=C(C2C4=CC=C(C=C4)F)C#N)N 1 4.434 2 1 -6.24329653794115 6517665 CC1=CC=CC=C1OC2=C(C=CC=N2)C(=O)/C(=C/N(C)C)/C#N 1 2.998 3 2 -7.03741225134749 6517636 C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)/C(=C/C3=CN=CC=C3)/SC2=S 1 3.418 2 3 -8.83997261344105 6517628 COC(=O)C1=CC=C(C=C1)/C=C(\C(=O)N2CCOCC2)/NC(=O)C3=CC=CC=C3 1 1.743 2 5 0 -22.7286530648884 6517627 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NN/C=C/3\C=CC(=O)C=C3O 1 0.815 6 2 0 -1.95528157948037 6517621 COC1=C/C(=C/C=C/2\NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4O)/C=CC1=O 1 3.431 2 4 0.383489179410751 6517489 CC1=CN=C(C=C1)N2C(=CC(=C2C)/C=C/3\C(=O)N(C(=O)S3)CC(=O)N4CCOCC4)C 1 2.143 4 4 0 -12.8732326296606 6517477 CC1=CC(=NC(=N1)NN/C=C/2\C=NN=C2C3=CC=CC=C3)C 1 1.314 6 0 0 -0.830857850204258 6517473 COC1=CC=CC(=C1O)/C=C\2/C(=O)C3=C(O2)C=CC(=C3)O 1 2.636 0 5 4.68223558487685 6517467 COC1=C/C(=C/C(=C\2/NC(=CS2)C3=CC4=CC=CC=C4OC3=O)/C#N)/C=C(C1=O)[N+](=O)[O-] 1 2.204 3 6 0 -2.80577168400403 6517412 CCN1C(=NC2=CC=CC=C2C1=O)/C=C\3/C4=CC=CC=C4N(C3=O)C(C)C 1 3.363 3 2 -6.2325561492805 6517406 CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/C3=CC=CC=N3)/SC2=S 1 3.347 3 3 -5.9848617604687 6517388 COC1=CC=C(C=C1)N/N=C\2/C=CC(=O)C(=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 5.382 2 3 -6.26061322789126 6517360 CCNC1=NC(=NC(=N1)NN/C=C\2/C=CC(=O)C(=C2)OC)NCC 1 -0.129 7 2 0 -0.91242193432654 6517353 C1=CC=C2C(=C1)C(=O)N(/C(=C/C=C/3\C=CC=CC3=O)/N2)C4=CC=CC=C4O 1 3.743 2 3 -1.57581522951816 6517290 CCOC(=O)C(C)N1C(=O)/C(=C/C2=CC=C(O2)C3=CC=CC=C3C(=O)O)/SC1=O 1 3.523 1 7 0 -8.17870063146098 6517258 C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)SCC(=O)NN/C=C/4\C=NC5=CC=CC=C54 1 4.126 5 1 -11.4104728010659 6517238 CC1(CC2=CC=CC=C2/C(=C/C(=O)C(=O)NN/C=C/3\C=CC(=O)C(=C3)OC)/N1)C 1 0.931 3 4 0 -6.37447997227196 6517214 CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/C3=CC=CC=C3OC)/SC2=S 1 4.053 2 4 -7.15947709625401 6517164 COC1=C/C(=C/NNC2=CC=CC=N2)/C=CC1=O 1 0.848 3 2 0 1.86340470346097 6517118 C/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NC2=CC=CC3=CC=CC=C32 1 3.277 1 4 -7.6858941980287 6517068 C/C(=C\1/C=CC=CC1=O)/NNC(=O)CCCCCNC(=O)C2=CC=CC=C2 1 2.062 3 3 -18.8218688775542 6516704 CC1=C(C=C(C=C1)C(=O)NN/C=C\2/C=CC=N2)[N+](=O)[O-] 1 0.758 4 3 0 -8.04760316155983 6516584 CN1C(=O)/C(=C\C2=C(C3=C(C=C2CCN(C)C(=O)C4=CC=CC=C4)OCO3)OC)/C(=O)NC1=O 1 2.14 3 7 0 -5.02945332637005 6516607 C1=CC(=CC=C1NC(=O)CCC(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-])Br 1 0.833 4 5 0 -8.71309385823406 6516377 COC1=CC=CC=C1C(=O)N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)NCCC4=NC5=CC=CC=C5N4 1 3.287 4 5 0 -21.4189470182075 6516390 CC1=CN2C(=N)/C(=C/C3=CN(C4=CC=CC=C43)CCCOC5=CC=CC(=C5)OC)/C(=O)N=C2S1 1 4.503 4 3 0 -11.5266601520342 6516336 COC(=O)/C(=C\NC1=CC=CC=C1N)/C2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.11 3 2 -0.203997190572203 6516325 CCOC(=O)/C(=C/NC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)C)C)/C#N 1 3.142 3 4 0 -8.87175639206839 6516205 C/C(=C\1/C=CC(=O)C=C1O)/NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 1.257 3 5 0 -7.19019320915433 6516190 CCCCCCCCC(=O)NN/C(=C/1\C=CC(=O)C=C1O)/C 1 2.722 2 3 -9.81143772635166 6516168 C1=CC=C2C(=C1)C(=O)N(/C(=C/C=C/3\C=C(C=CC3=O)Br)/N2)CCO 1 2.322 2 3 -3.11331048775286 6516071 CC1=C(C=C(C=C1)C(=O)OCC(=O)/C(=C(\C)/N)/C#N)S(=O)(=O)N2CCCCC2 1 1.327 3 5 0 -26.770701483057 6515925 CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SCC(=O)/C(=C(\C)/N)/C#N 1 2.142 4 3 0 -19.2615493118734 6516058 COC1=CC(=C/C(=C\2/C=CC=CN2)/C#N)C=C(C1=O)OC 1 0.314 2 3 0 -3.67478856686272 6516057 CC(C)(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)N4CCOCC4 1 4.194 1 5 -5.57377477035251 6516048 COC1=C(C=CC(=C1)C(=O)NCCN2C(=O)/C(=C/C3=CC=C(C=C3)F)/SC2=O)OCC(=O)N4CCOCC4 1 2.131 3 7 0 -21.6056493903385 6516024 CC1=C(C=CC(=C1OC)/C=C\2/C(=O)N(C(=S)N2)CC3CCCO3)OC 1 2.848 2 4 -7.16047874533114 6515900 C1CCC2=C(C1)C(=C(S2)N/C=C\3/C=CC(=O)C(=C3)[N+](=O)[O-])C#N 1 2.89 3 3 -13.5801948587969 6515898 COC1=CC=CC(=C1)/C=C(\C2=CC=CC=C2)/C(=O)OCC(=O)NC3CCCCCCC3 1 5.445 1 4 -8.5407278593072 6515815 C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)N/C=C\4/C=CC(=O)C(=C4)[N+](=O)[O-] 1 1.972 4 4 0 -0.258658673196147 6515798 C1COCCN1C2=C(C=C(C=C2)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3)[N+](=O)[O-] 1 3.675 3 5 0 -5.09878282379671 6515686 C1CCC2=NN/C(=C(/C#N)\C(=O)COC3=CC=C(C=C3)Br)/N2CC1 1 2.761 4 2 -10.7500001509289 6515658 CCOC1=C/C(=C/C(=C\2/C=CC=CN2)/C#N)/C=CC1=O 1 0.974 2 2 0 -7.01337508774724 6515568 COC1=C/C(=C/NS(=O)(=O)CCC2=CC=CC=C2)/C=CC1=O 1 1.217 1 4 0 -3.37109058579489 6515554 COC1=CC=CC(=C1)NN/C=C/2\C=CC=C(C2=O)Br 1 2.208 2 2 1.22624469464218 6515367 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)NN/C(=C/2\C=CC(=CC2=O)OC)/C 1 0.539 4 4 0 -12.9361991543019 6515365 COC1=CC2=C(C=C1)N=C(S2)N/C=C/3\C=CC=C(C3=O)OC 1 1.923 2 3 0 -1.12890652871617 6515345 CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/C3=CC(=CC=C3)F)/SC2=S 1 4.275 2 3 -4.87007408423065 6515168 CC1=C/C(=C\NNC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C)/C(=O)C=C1 1 1.804 2 5 0 -11.0065016580654 6515114 C/C(=C\1/C=CC=CC1=O)/NNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C 1 0.489 3 4 0 -14.5694059337541 6514824 C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)NN/C=C/3\C=CC=C(C3=O)O)[N+](=O)[O-] 1 1.246 4 8 0 -9.6392268048287 6514766 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN/C=C/3\C=NC4=CC=CC=C43 1 2.815 5 5 0 -4.87322970839916 6514808 CCCCNC(=O)/C(=C/C1=C(C=C(C=C1)F)F)/C#N 1 3.084 2 1 -13.4666343714858 6514735 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCN3C(=O)/C(=C/C4=CC(=C(C=C4)OC)OC)/SC3=O 1 2.576 3 7 0 -20.3116223516659 6514703 CCCC/C=C/1\CCC2=C(C1=O)NC3=CC=CC=C23 1 5.184 1 1 -2.55002414576191 6514671 CC1=CC=CC=C1C(=O)NN2C(=O)/C(=C/C(=C/C3=CC=CC=C3)/C)/SC2=S 1 5.281 2 2 -12.2323152960206 6514655 C1COCCN1C2=NC(=NC(=N2)NN/C=C/3\C=NC4=CC=CC=C43)NC5=CC=CC=C5 1 1.633 8 1 0 4.87416579074827e-002 6514500 C1C(OC2=CC=CC=C2O1)C(=O)NN/C=C/3\C=CC=C(C3=O)[N+](=O)[O-] 1 0.521 3 6 0 -4.70267798764337 6514459 CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=C3 1 2.802 2 3 -7.45786516117447 6514457 COC1=C/C(=C/NNC2=NC=C(C=C2)C(F)(F)F)/C=CC1=O 1 1.153 3 2 0 3.65418426030328 6514446 CC1=C/C(=C\NN2C(=NC3=CC=CC=C3C2=O)COC4=CC=CC=C4)/C(=O)C(=C1)[N+](=O)[O-] 1 2.692 4 5 0 -6.38700652932768 6514245 C\1CC2=C(C(=O)/C1=C/C3=CN=CC=C3)NC4=CC=CC=C24 1 3.697 2 1 -1.74880827883818 6514206 CN(C)/C=C/C(=O)C1=CC=CC=C1OCC2=CN=C(S2)Cl 1 2.701 2 2 -1.59749078945891 6514026 COC1=C/C(=C/NNC(=O)C(=O)NCC2CCCO2)/C=C(C1=O)Cl 1 -0.889 3 5 0 -9.95360976281278 6513742 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)/C(=C(\C)/N)/C#N 1 3.426 3 3 -13.1133025312813 6513724 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN/C=C/3\C=CC=C(C3=O)[N+](=O)[O-])O 1 1.678 3 5 0 -11.0391230417024 6513669 CC1=CN=C(C=C1)N/C=C\2/C3=C(C=C(C2=O)Br)OC4=C3CCCC4 1 3.783 2 2 -3.4980971328024 6513304 CCC(CC)C1=NN2C(=N)/C(=C/C3=CC=CO3)/C(=O)N=C2S1 1 3.867 4 2 -14.8079391307411 6513263 CCC(C)N1C(=O)/C(=C/C2=CC3=C(C=C2)N(CC3)CCCCl)/C(=O)NC1=S 1 4.183 3 2 -13.7451298713023 6513200 CC1=CC(=NO1)NC(=O)CCCCCN2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/SC2=S 1 4.271 3 5 0 -27.2098125482514 6513191 COC1=C/C(=C/NNC(=O)CCN2C=NC(=C2C3=CC=CC=C3)C4=CC=CC=C4)/C=CC1=O 1 2.644 4 3 0 -4.49788004865211 6512916 C\1CN2C(=NC3=CC=CC=C3C2=O)/C1=C/C4=CC=CC=C4[N+](=O)[O-] 1 3.096 3 3 -4.85190209950342 6512769 CCOC1=CC=CC=C1C(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 2.016 3 2 -5.8101175765388 6512678 CCC1=CC=C(C=C1)OCC(=O)NN/C(=C/2\C=CC(=O)C=C2O)/C 1 1.76 2 4 0 -6.33050590407152 6512633 C1=CC=C(C=C1)C(C(=O)O)N2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 4.201 1 3 -9.89485163575 6512584 C=CCNC(=O)/C(=C/C1=CC2=C(C=C1)OCCO2)/C#N 1 1.747 2 3 0 -18.649570883675 6512362 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NCCN3C(=O)/C(=C/C4=CC(=C(C=C4)OC)OC)/SC3=O 1 3.796 2 6 0 -14.9673507885849 6512200 CC(C)C/C=C/1\CCC2=C(C1=O)NC3=CC=CC=C23 1 4.979 1 1 -2.66377599328228 6512195 C1=C/C(=C(\CC2=CSC=N2)/NN)/C(=CC1=O)O 1 -0.395 3 2 0 -2.11995096485379 6512165 CCOC(=O)N1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)Br)/NC(=O)C3=CC=C(C=C3)OC 1 3.141 3 5 0 -17.8038672046445 6512008 CC1=C(C=CC(=C1)C(=O)NCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=O)[N+](=O)[O-] 1 3.338 3 5 0 -15.3988255554093 6512137 COC1=CC=C(C=C1)/C=C/2\C(=O)C3=C(N2)N(C(=O)N(C3=O)CC(=O)OC)CC4=CC=CC=C4 1 2.16 3 6 0 -11.042065283257 6511938 CC1=CC=C(C=C1)C(=O)NN2C(=O)/C(=C/C3=CC=CN3C)/SC2=S 1 3.957 3 2 -10.9603305201713 6511854 CCOC1=C/C(=C/NNC(=O)NN(C)C2=C(C=C(C=N2)C(F)(F)F)Cl)/C=CC1=O 1 2.175 5 3 0 -1.84913348479026 6511847 COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC=C)C3=CC=CC=C3)[N+](=O)[O-] 1 4.013 5 4 0 -9.61494968729969 6511833 CC1=C(C=CC=C1Cl)N/C=C(/C2=C(C=C(C=N2)C(F)(F)F)Cl)\C(=O)OC 1 5.008 2 2 2.61654055078001 6511602 CCCC\1=NN(C(=O)/C1=C/N(C)C)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.074 4 3 0 -8.16825576428904 6511468 C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)O 1 3.412 2 6 0 -15.003559115602 6511422 COC1=C/C(=C\NN2C(=CSC2=NC3=CN=CC=C3)C4=CC=CO4)/C(=O)C=C1 1 1.489 4 3 0 -1.05910602826171 6511413 COC1=C/C(=C/NNC(=O)C(=O)NCC2=CC=CO2)/C=C(C1=O)Br 1 -0.398 3 5 0 -6.53515464088699 6511353 CC1=CC(=NN1C2=NC(=NC(=N2)NN/C=C/3\C=CC=C(C3=O)OC)NC4=CC=CC=C4)C 1 2.069 8 2 0 -3.69978003838159 6511308 CC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)N4CCOCC4 1 3.279 1 5 -8.15190891946381 6511277 C1COCCN1C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=CC=C4Cl)F 1 3.971 2 4 -3.07156202864685 6511170 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)/C(=C/C3=CC=CO3)/NC(=O)C4=CC(=CC=C4)Br 1 3.679 4 3 0 -17.111268927655 6511153 CCCN1C(=O)/C(=C/C2=CC=C(O2)N3CCOCC3)/SC1=O 1 2.39 2 4 -2.034802522907 6511112 C1=CC=C(C=C1)C(=O)NNC(=O)CCCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S 1 4.174 3 3 -15.2941913022678 6510999 CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)/C(=C(\C)/N)/C#N 1 1.554 2 5 0 -9.48064448277773 6510966 CCOC(=O)C1=CC(=C2C=CC(=C(C2=C1)OC)OC)N/C=C(\C#N)/C(=O)OCC 1 2.762 2 6 0 -10.1802555238851 6510913 C1=CC=C2C(=C1)N/C(=C\C=C3C=CC(=O)C=C3)/C(=O)N2 1 1.751 2 2 0 -2.87062537049536 6510896 C1=CC(=NC(=C1)Cl)NN/C=C/2\C=CC(=O)C=C2O 1 0.859 3 2 0 0.669344473250775 6510886 CC1=NC2=C(C=CC=C2OC)C(=C1)NN/C=C\3/C=CC(=O)C(=C3)O 1 1.687 3 3 0 3.59520296257046 6510868 CC1=CC(=C(C=C1)C)OCCN2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NCC4CCCO4 1 4.807 3 3 -17.3686571137179 6510866 C1CCN(C1)C2=NC(=NC(=N2)NN/C=C\3/C=CC(=O)C(=C3)O)N4CCCC4 1 0.282 7 2 0 1.27887934478142 6510843 C1=CC=C2C(=C1)C(=O)N(/C(=C/C=C3C=CC(=O)C=C3)/N2)C4=CC(=CC=C4)O 1 3.743 2 3 0.756495197111494 6510775 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)Br)/C(=O)NC4CCS(=O)(=O)C4 1 3.942 2 5 0 -17.9692002236033 6510725 CC(C)CC(=O)/C(=C\C1=C(C=C(C=C1)Cl)Cl)/N2C=NC=N2 1 3.978 3 1 -3.85915024412461 6510717 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C/C4CCC=CC4)/SC3=S 1 3.945 3 2 -10.5781412094838 6510669 COC1=C/C(=C/NN(C2=CC=CC=C2)C3=CC=CC=C3)/C=CC1=O 1 3.242 2 2 -0.774215564147064 6510653 C1=CC=C2C(=C1)N/C(=C/3\C=C(C=CC3=O)N=C/C=C/C4=CC(=CC=C4)Br)/S2 1 5.478 2 1 8.25094043949547 6510651 CC12CCCCC1C2C(=O)NN/C=C\3/C=C(C(=O)C(=C3)Br)OC 1 1.491 2 3 0 1.42553596163963 6510640 COC1=C/C(=C/NNC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)/C=CC1=O 1 1.032 3 7 0 -18.4095184453001 6510598 C1COCCN1C2=CC=C(C=C2)N=CC3=C/C(=N\NC4=CC=CC(=C4)C(F)(F)F)/C=CC3=O 1 4.788 4 2 6.33160057379758 6510561 C1COCCN1C2=CC=C(C=C2)N=CC3=C/C(=N\NC4=CC(=CC=C4)Cl)/C=CC3=O 1 4.51 4 2 4.7146572408783 6510409 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)NC(C)(C)C 1 4.511 3 5 0 -17.3032304493099 6510401 C1=CC=C2C(=C1)N/C(=C/3\C=C(C=CC3=O)N=C/C=C/C4=CC=C(C=C4)Br)/S2 1 5.478 2 1 6.23993330997597 6510357 C1CCN(CC1)C2=NC(=NC(=N2)NN/C=C\3/C=CC(=O)C(=C3)[N+](=O)[O-])N4CCCCC4 1 1.474 8 3 0 -0.20708522421306 6510340 C1CS(=O)(=O)CC1NC(=O)/C(=C/C2=CC=C(C=C2)Cl)/NC(=O)C3=CC=CC=C3 1 2.166 2 4 -21.8618708874545 6510066 COC1=CC=CC=C1C(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 1.667 3 2 0 -5.42941936486126 6509634 C1CCN(CC1)C2=CC=C(C=C2)N/C=C/3\C=CC(=CC3=O)Br 1 3.631 2 1 -2.35603722342036 6509614 CCNC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=C(C=C3)Br 1 2.86 2 4 -18.1533944333177 6509574 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCCC3=CNC4=CC=CC=C43 1 4.074 3 3 -20.2001815093989 6509573 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)NCCC3=CNC4=CC=CC=C43 1 4.632 3 2 -21.2577421200392 6509514 C1=CC=C2C(=C1)C(=O)N(/C(=C/C=C/3\C=C(C=CC3=O)Br)/N2)CCCO 1 2.384 2 3 -2.58752374705395 6509469 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Cl)/C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.456 2 6 0 -15.9460732800705 6509466 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CN=CC=C2)/C3=NC4=CC=CC=C4N3 1 3.563 4 1 -0.608215196585935 6509448 CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)N(C)C)CCC#N 1 1.599 4 1 0 -9.85721819116895 6509384 COC1=CC=C(C=C1)N2/C(=C/C=C3C=CC(=O)C=C3)/NC4=CC=CC=C4C2=O 1 3.969 2 3 -2.39896893063641 6509382 CCN1/C(=C/C=C/2\C=NC3=CC=CC=C32)/NC4=CC=CC=C4C1=O 1 3.435 3 1 -1.62818948936304 6509379 CCN1/C(=C/C=C2C=CC(=O)C=C2)/NC3=CC=CC=C3C1=O 1 2.758 2 2 -1.11866573723947 6509327 C/C(=C/CC(C(=O)C)C(=O)NC1=CC=CC=C1OC)/Cl 1 2.397 1 3 -9.66013654986471 6509284 COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC=C)OC(=O)C3=CC=CO3 1 4.474 1 5 -17.9602625306494 6509206 C1=C/C(=C\NNC2=NC=CN=C2Cl)/C(=O)C=C1 1 0.246 4 1 0 -0.997490377624709 6509204 C\1=C(C=C(C(=O)/C1=C/NNC2=NC=C(C=N2)Br)Cl)Cl 1 1.363 4 1 0 0.191484574402586 6509203 C1=C/C(=C\NNC2=NC=C(C=N2)Br)/C(=CC1=O)O 1 8.8e-002 4 2 0 -0.999979337368488 6509025 CC1=C/C(=N/NC2=CC=C(C=C2)OC)/C=C(C1=O)CN3CCCCC3 1 3.928 3 2 -2.50874147099852 6509024 CC1=C/C(=N/NC2=CC=C(C=C2)Cl)/C=C(C1=O)CN3CCCC3 1 4.153 3 1 8.06919429005201e-002 6509023 CC1=C/C(=N/NC2=CC=C(C=C2)Cl)/C=C(C1=O)CN3CCOCC3 1 3.379 3 2 -2.67238278217964 6508961 COC1=C/C(=C/NNC2=CC=C(C=C2)C(=O)O)/C=CC1=O 1 1.09 2 4 0 -0.148080181901524 6508698 CCCCCCCN/C(=C/1\C=CC=CC1=O)/C 1 3.455 1 1 -8.23802784778979 6508695 CC/C(=C\1/C=CC=CC1=O)/NCCC2=CC(=C(C=C2)OC)OC 1 3.154 1 3 -9.81935375658539 6508569 CC1=CC=CC=C1N/C=C\2/C=CC=N2 1 1.956 2 0 0 -2.64905234839314 6508454 COCCN=C1N(C(=CS1)C2=CC=CC=C2)N/C=C/3\C=NC4=CC=CC=C43 1 2.526 4 1 -3.66958120202372 6508451 C1=C/C(=C\NNC(=O)C(=O)NN/C=C\2/C(=CC(=O)C=C2)O)/C(=CC1=O)O 1 -2.41 4 6 0 -3.90450694207425 6508436 COCCN=C1N(C(=CS1)C2=C(C=CC(=C2)OC)OC)N/C=C/3\C=NC4=CC=CC=C43 1 2.493 4 3 0 -5.55737090326664 6508428 CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)NN/C=C\3/C=CC=N3)Br 1 3.927 3 2 -3.2367072681167 6508425 C1CCC2(CC1)C(=O)N(C(=O)N2)N/C=C/3\C=CC(=O)C=C3O 1 0.404 3 4 0 -2.50148173631322 6508424 COC1=CC=C/C(=C\NN2C(=O)C3(CCCCC3)NC2=O)/C1=O 1 0.63 3 4 0 -3.69503184885338 6508422 COC1=CC=C/C(=C\NN2CCOCC2)/C1=O 1 -0.737 2 3 0 -4.86885762081555 6508419 CCOC1=C/C(=C/NN2C(=O)C3(CCCCC3)NC2=O)/C=C(C1=O)Br 1 1.431 3 4 0 -1.52597267662761 6508400 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN/C=C\3/C=CC(=O)C(=C3)O 1 0.676 4 5 0 -19.8030044460145 6508399 CC1=CC=CC=C1NC(=S)NN/C=C/2\C=CC(=O)C=C2O 1 2.358 3 2 -5.38796550770142 6508380 CCN(CC)C1=CC(=O)/C(=C/NNC(=S)NCC2=CC=CC=C2)/C=C1 1 2.607 4 1 -9.33029488649736 6508355 COC1=C/C(=C/NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)/C=CC1=O 1 2.877 4 3 0 -6.87776085144135 6508342 CC1=NC=C(/C(=C\NNC(=S)NC2=CC=C(C=C2)C(C)C)/C1=O)CO 1 2.015 4 2 -3.48160720423364 6508340 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NN/C=C\4/C=CC=N4 1 2.464 4 1 -8.71654082461887 6508339 COC1=C/C(=C\NNC(=S)NCCC2=CC=CC=C2)/C(=O)C=C1 1 2.147 3 2 -8.60264589814954 6508333 C1=CC(=CN=C1)NC(=S)NN/C=C/2\C=CC(=O)C=C2O 1 0.721 4 2 0 -4.42445671232403 6508323 CC1=CC(=C(C=C1)C(C)C)OCC2=CC=C(C=C2)C(=O)NN/C=C/3\C=CC(=O)C=C3O 1 3.716 2 4 -2.70840084922008 6508320 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN/C=C/3\C=CC=C(C3=O)O)C 1 1.901 4 3 0 -13.0140745258074 6508318 C1=CC2=C3C(=C1)C(=O)N(C3=CC=C2)CC4=CC=C(C=C4)C(=O)NN/C=C/5\C=CC(=O)C=C5O 1 2.121 3 4 0 -0.859156713081907 6508312 CCOC(=O)C1=C(C=C(S1)N/C=C/2\C=CC(=O)C=C2O)C 1 2.329 1 4 -6.63098125469999 6508309 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NN/C=C/3\C=CC(=O)C(=C3O)O 1 -0.773 3 7 0 -23.8129710056075 6508306 C\1=C(C=C(C(=O)/C1=C/NN2C=NN=C2)[N+](=O)[O-])Cl 1 -0.521 5 3 0 -3.27377617544861 6508305 C1COCCN1C2=NC(=CS2)CC(=O)NN/C=C/3\C=CC(=O)C(=C3O)O 1 -1.379 4 5 0 -7.918717024557 6508301 CC1=CC(=C(C=C1Br)C)SCC(=O)NN/C=C/2\C=CC(=O)C=C2O 1 2.583 2 3 -6.30476076774516 6508291 COC1=C/C(=C/NNP(=S)(C2=CC=CC=C2)C3=CC=CC=C3)/C=CC1=O 1 2.897 2 2 -2.18950804516693 6508242 COC1=C/C(=C/NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)/C=C(C1=O)Br 1 1.181 3 5 0 -14.386160833977 6508227 C1=CC=C(C(=C1)CN2C(=S)N(C=N2)N/C=C/3\C=CC(=O)C=C3O)Cl 1 2.243 4 2 -1.41358711860612 6508226 CCOC1=C/C(=C/NN2C(=NC3=CC=CC=C3C2=O)C)/C=CC1=O 1 1.04 3 3 0 -6.93523426257228 6508152 CC1=C(SC(=N1)C)C(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 0.974 4 1 0 -4.92702224641907 6508103 C1=CC=C(C=C1)CCN/C=C/2\C=C(C=CC2=O)Cl 1 2.518 1 1 -4.13382824496791 6508051 CC\1=NC(=O)NC(=O)/C1=C\NOCC2=CC=C(C=C2)OC 1 0.475 3 4 0 -3.48852149176514 6507997 COC1=C/C(=C/NNC(=O)C(=O)NCC2=CC=CO2)/C=CC1=O 1 -0.851 3 5 0 -9.64524215222177 6507300 COC1=C/C(=C/NNC(=O)CCNC(=O)C2=CC=CC=C2Cl)/C=CC1=O 1 0.667 3 4 0 -12.0553808626745 6507285 C1=CC=C(C=C1)N=C2N=C(/C(=C/NNC(=O)COC3=CC=C(C=C3)C#N)/S2)Cl 1 2.354 5 2 0 -3.49820130975947 6507270 CCOC1=C/C(=C/NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)/C=CC1=O 1 2.026 4 3 0 -8.53266976312079 6507097 CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN/C=C/4\C=NC5=CC=CC=C54 1 2.149 9 3 0 -20.4399189801563 6507009 CC\1=NC(=O)NC(=O)/C1=C\NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 1 0.581 5 5 0 -20.1070145783228 6506958 C1=CC=C(C(=C1)CSC2=NN=C(S2)SCC(=O)NN/C=C/3\C=NC4=CC=CC=C43)Cl 1 3.882 5 1 -14.6545857302752 6506954 C1=C/C(=C\NNC(=O)CN2C=NC=N2)/C(=O)C=C1 1 -1.176 5 2 0 -13.5500509614595 6506899 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC(=O)C3=CC(=CC=C3)C(F)(F)F 1 2.999 2 2 1.09264885984208 6506872 COC1=C/C(=C\NNC(=O)C2=CC3=C(C=C2)OCCO3)/C(=C(C1=O)Br)Br 1 1.385 2 5 0 -4.79990516583564 6506865 COC1=C/C(=C/NNC(=O)C2=CC3=C(C=C2)OCCO3)/C=C(C1=O)Cl 1 0.849 2 5 0 -3.27106744589006 6506858 CCOC1=C/C(=C/NNC(=O)C(=O)NCCCOC(C)C)/C=C(C1=O)Br 1 -0.157 3 5 0 -13.3591814223121 6506841 COC1=CC=CC=C1/C=C\C(=O)NCC(=O)NN/C=C/2\C=CC(=O)C=C2O 1 -2.e-002 3 5 0 -9.86895056492408 6506839 CS/C(=N/N/C=C/1\C=C(C=C(C1=O)Br)Br)/N 1 1.504 3 1 0 1.00206182971259 6506836 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCC(=O)NN/C=C/3\C=CC(=O)C=C3O 1 1.058 3 4 0 -14.4477500949234 6506827 CC1=CC(=CC=C1)OCC(=O)NCC(=O)NN/C=C/2\C=CC=C(C2=O)OC 1 7.6e-002 3 5 0 -10.0482107989258 6506824 C1=C/C(=C\NNC(=O)CNC(=O)C2=CC=NC=C2)/C(=CC1=O)O 1 -1.622 4 4 0 -11.1171348650325 6506823 C1=CC=C(C=C1)OCC(=O)NCC(=O)NN/C=C/2\C=CC(=O)C=C2O 1 -0.636 3 5 0 -10.5057804361283 6506815 COC1=CC=C(C=C1)/C=C\C(=O)NCC(=O)NN/C=C/2\C=CC=C(C2=O)OC 1 0.205 3 5 0 -10.565044471864 6506814 C1=CSC(=C1)C(=O)NCC(=O)NN/C=C/2\C=CC(=O)C=C2O 1 -0.518 3 4 0 -11.6761960922152 6506808 C1=COC(=C1)C(=O)NCC(=O)NN/C=C/2\C=CC(=O)C=C2O 1 -1.076 3 5 0 -10.1191794534534 6506754 CC1=NC(=CC=C1)N/C=C\2/C3=C(C=C(C2=O)Br)OC4=C3CCCC4 1 4.052 2 2 -1.74943285730514 6506792 COC1=CC=C(C=C1)/C=C\C(=O)NCC(=O)NN/C=C/2\C=CC(=O)C=C2O 1 -2.e-002 3 5 0 -9.54026720823332 6506791 CC1=CC(=CC=C1)OCC(=O)NCC(=O)NN/C=C/2\C=CC(=O)C=C2O 1 -0.15 3 5 0 -8.92570363502068 6506776 C1=CC(=CN=C1)C(=O)NCC(=O)NN/C=C/2\C=CC(=O)C=C2O 1 -1.622 4 4 0 -12.2855778385778 6506759 C1=CC=C(C=C1)C(=O)NCCCCCC(=O)NN/C=C/2\C=CC(=O)C=C2O 1 1.01 3 4 0 -15.5233369295984 6506745 CCCCN1C2=CC=CC=C2N=C1N/C=C/3\C=NC4=CC=CC=C43 1 3.895 4 0 -5.33702937800793 6506742 CC1=CC(=NC=C1)N/C=C\2/C3=C(C=C(C2=O)Br)OC4=C3CCCC4 1 3.783 2 2 -1.39234445903283 6506740 CN1C(=C(C=N1)N/C=C/2\C(=O)C=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4OC 1 2.859 4 3 0 -8.7020589679831 6506725 CCOC(=O)/C(=C/1\C2=CC=CC=C2CC(N1)(C)C)/C(=O)NC3=CC=C(C=C3)Br 1 3.887 2 3 -7.30116247484139 6506711 CC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN/C=C/4\C=NC5=CC=CC=C54 1 2.303 9 2 0 -19.2607296193042 6506709 CC\1=NC(=O)NC(=O)/C1=C/NNC(=O)CCNC(=O)OC(C)(C)C 1 -0.886 5 5 0 -17.6777600119925 6506668 C1CCC2(C1)CC3=CC=CC=C3/C(=C/C(=O)C(=O)NN/C=C/4\C=CC=CC4=O)/N2 1 1.918 3 3 0 -6.27824848825397 6506664 COC1=CC=C/C(=C\NNC(=O)CNC(=O)/C=C\C2=CC=CC=C2)/C1=O 1 0.222 3 4 0 -10.4927949287137 6506596 CCCCOC1=CC=C(C=C1)N/C=C\2/C=CC=N2 1 2.782 2 1 -3.75862583488918 6506575 COC1=C/C(=C/NNC(=O)C2=CC3=C(C=C2)OCO3)/C=CC1=O 1 0.462 2 5 0 -5.02205823773432 6506573 C1CN(/C(=C/[N+](=O)[O-])/N1)CC2=CN=C(C=C2)Cl 1 1.169 4 2 0 -7.2798003150199 6506568 C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)NNC=C4C=C(C(=O)C(=C4)Br)Br 1 3.415 2 3 2.20431036327163 6506540 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)CCC(=O)NCC3=CC=CC=C3 1 1.105 4 2 0 -14.7782405587117 6506539 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)CCC(=O)NC3=CC=CC=C3 1 1.098 4 2 0 -8.93750347605532 6506518 CC(=O)N(CCC#N)N/C=C/1\C=C(C=C(C1=O)OC)[N+](=O)[O-] 1 -1.043 4 5 0 -6.12477987577534 6506511 C1=CC=C2C(=C1)/C(=C/NNC(=O)CCC(=O)NC3=CC=CC=C3Cl)/C=N2 1 1.684 4 2 0 -6.58819489393173 6506503 CC1=CC=C(C=C1)NC(=O)C(=O)NN/C=C/2\C=CC=C(C2=O)CC=C 1 1.727 3 3 0 -10.5203747505427 6506492 CCOC1=C/C(=C/NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC)/C=CC1=O 1 3.16 3 4 0 -4.1068964357465 6506485 CCC1=CC2=C(C=C1)C(=C(S2)C(=O)NN/C=C/3\C=NC4=CC=CC=C43)Cl 1 4.444 3 1 2.56734054228414 6506237 CC\1=NC(=O)NC(=O)/C1=C\NNC(=O)[C@H](C)NC(=O)OC(C)(C)C 1 -0.65 5 5 0 -16.1864544638064 6506229 CC\1=NC(=O)NC(=O)/C1=C/NNC(=O)CCCCCNC(=O)OC(C)(C)C 1 0.347 5 5 0 -20.3781754874671 6506225 CC\1=NC(=O)NC(=O)/C1=C\NNC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C 1 0.193 5 5 0 -20.9745769176878 6506188 CC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 3.704 5 1 -12.838193058687 6506183 CC1=CC(=CC=C1)OCC(=O)NCC(=O)NN/C=C/2\C(=NC3=CC=CC=C32)C 1 1.143 4 3 0 -10.2949293958769 6506157 C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)Br)C(=O)NN/C=C/4\C=NC5=CC=CC=C54 1 4.535 4 1 1.24526836476536 6506080 C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 3.218 5 1 -13.821420960479 6506065 C1=C/C(=C\NNC(=O)CSC2=NNC(=O)NC2=O)/C(=O)C=C1 1 -1.203 5 4 0 -21.771366334291 6506053 COC1=C/C(=C/NNC(=O)CNC2=NNC(=O)NC2=O)/C=CC1=O 1 -2.72 6 5 0 -19.278370343942 6506042 CC\1=NC(=O)NC(=O)/C1=C\NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C 1 -0.323 5 5 0 -22.6396056976686 6506039 COC1=C/C(=C/NNC(=O)CC2=NN=C(S2)NC(=O)C3=CC=CC=C3)/C=CC1=O 1 0.394 5 4 0 -13.076384367695 6506002 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC(=O)C3=C(C=NN3)Br 1 1.541 4 2 0 -2.59283574113041 6505864 COC1=C/C(=C/NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)/C=CC1=O 1 2.827 3 3 -4.50768591593766 6505850 COC1=C/C(=C/NNC(=O)C2=CC3=C(C=C2)OCCO3)/C=C(C1=O)Br 1 0.933 2 5 0 -3.35727187996798 6505844 C1=CC=C2C(=C1)C=CC=C2N/C=C/3\C=CC=C(C3=O)[N+](=O)[O-] 1 2.75 2 3 -3.31778726552465 6505842 CCC(CC)(C(=O)NN/C=C/1\C=C(C=C(C1=O)Br)Br)O 1 1.419 2 3 0 -7.28471702654953 6505720 C/C(=C/1\C(=CC(=CN1)C(F)(F)F)Cl)/N=O 1 1.676 2 1 0 -0.550003354789875 6505713 CC(=O)/C(=C\NC1=CC(=C(C=C1)OC)OC)/C2=CC(=C(C=C2)OC)OC 1 2.782 1 5 -8.5931656068949 6505712 CC(=O)/C(=C\NC1=CC(=CC=C1)Br)/C2=CC(=C(C=C2)OC)OC 1 3.563 1 3 -4.84599010403794 6505707 CC(=O)/C(=C\NC1=CC(=CC(=C1)OC)OC)/C2=CC=CC=C2 1 2.815 1 3 -4.43782520210081 6505706 CC(=O)/C(=C\NC1=CC=C(C=C1)OCC2=CC=CC=C2)/C3=CC=CC=C3 1 4.414 1 2 -2.99608625207791 6505673 CCOC\1=NN(C(=O)/C1=C/N(C)C)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.526 4 2 -1.17404646022618 6505666 CCOC(=O)C(=O)/C=C\1/C(=CC(=CN1)C(F)(F)F)Cl 1 1.522 1 3 0 -1.02310408005535 6505615 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 1.566 5 1 0 -1.01086334279566 6505604 COC1=C/C(=C/NNC(=O)C2=C3CCC4=CC=CC=C4C3=NN2)/C=CC1=O 1 1.977 4 3 0 -1.36865607252536 6505603 CC1=CC=C(C=C1)C\2=NN=C/C2=C\NN3C(=NC4=CC=CC=C4C3=O)COC5=CC=CC=C5C 1 4.348 5 2 0 -4.82384969306502 6505598 CCN1C(=NN=C1SCC(=O)NN/C=C/2\C=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C 1 3.863 6 1 0 -6.00224253965388 6505546 CC1=CC(=NN1)C2=NNC(=S)N2N/C=C/3\C=CC=C(C3=O)OC 1 0.776 6 2 0 -7.88815886194477 6505532 CC1=CC=CC=C1OCC2=NC3=CC=CC=C3C(=O)N2N/C=C/4\C=NC5=CC=CC=C54 1 3.666 4 2 -2.888496448251 6505529 CCN1C(=NN=C1SCC(=O)NN/C=C/2\C=NC3=CC=CC=C32)C4=CC=C(C=C4)C 1 2.949 6 1 0 -8.58037668876518 6505520 CCN1C(=NN=C1SCC(=O)NN/C=C/2\C=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl 1 3.127 6 1 0 -6.75837799817837 6505503 C1=CC=C(C=C1)C\2=NN=C/C2=C\NN3C(=NC4=CC=CC=C4C3=O)COC5=CC=CC=C5 1 3.375 5 2 0 -5.93303862316131 6505492 CC1=CC=CC=C1OCC2=NC3=CC=CC=C3C(=O)N2N/C=C/4\C=NN=C4C5=CC=CC=C5 1 3.861 5 2 0 -5.27848251205882 6505466 CC1=CC(=C(C=C1)OCC(=O)NN/C=C/2\C=NC3=CC=CC=C32)[N+](=O)[O-] 1 1.899 4 4 0 -5.35630907174832 6505458 COC1=C/C(=C/NNC(=O)C2=CC=C(C=C2)N3CCCC3=O)/C=CC1=O 1 0.276 3 4 0 -12.5240824884826 6505449 COC1=C/C(=C/NNS(=O)(=O)C2=CC=C(C=C2)Br)/C=CC1=O 1 1.146 2 4 0 -3.09890942842159 6505442 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC(=O)C3=CC=C(O3)Br 1 2.02 2 3 -3.38784226293861 6505433 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NN/C=C/3\C=CC=C(C3=O)OC 1 1.037 5 3 0 -13.7576793358071 6505141 CC1=C(N2C=C(C=CC2=N1)Br)C(=O)NN/C=C/3\C=CC=C(C3=O)OC 1 0.894 4 3 0 -1.7919657893915 6504951 CC(C)(C)OC(=O)NN/C=C/1\C=NC2=CC=CC=C21 1 1.594 3 2 0 -4.9887180101995 6504913 CCOC1=C/C(=C/NC2=CC=C(C=C2)N3CCOCC3)/C=C(C1=O)CC=C 1 2.954 2 3 -6.20531319851055 6504901 CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])/C(=O)N2 1 2.374 3 6 0 -3.06584482798191 6504876 CC1=CC(=CC=C1)OCC(=O)NN/C(=C/2\C=CC3=CC=CC=C3C2=O)/C 1 2.902 2 3 -3.92047838323953 6504850 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NC3=CC=CC=C3C4=NC5=CC=CC=C5N4 1 4.59 3 1 1.13778083096941 6504838 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)NC3=CC=CC4=CC=CC=C43 1 4.374 3 4 0 -18.3966045463901 6504796 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 -0.395 7 3 0 -18.3966038358107 6504794 CC[N+]1=C(SC2=CC=CC=C21)/C=C\3/CC(CC(=C3)C)(C)C.[I-] I- 1 5.963 1 0 12.6606953298916 6504754 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NN/C=C/3\C(=O)C=CC4=CC=CC=C43 1 2.091 3 4 0 -16.3007036619822 6504702 CC1=CC=C(C=C1)C2=C/C(=C\C3=C(C(=CC=C3)OC)OC(=O)C)/C(=O)O2 1 3.788 0 5 -1.08470656621402 6504693 COC1=CC2=C(CCC3=C2N=C(S3)N/C=C/4\C=CC=C(C4=O)OC)C=C1 1 2.713 2 3 4.04446930750279 6504656 CC\1=NC(=O)NC(=O)/C1=C\NNC(=O)CCC2=CC=C(C=C2)OC(C)C 1 1.096 4 4 0 -11.7995480213271 6504637 CCOC1=C/C(=C/NNC(=O)CC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])/C=CC1=O 1 1.915 3 5 0 -3.97917344002872 6504597 CC1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)OC)/NC(=O)C3=CC=CC=C3 1 3.353 2 3 -21.4440768415301 6504579 CC1=CC=C(C=C1)NC(=O)/C(=C/C=C/C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 4.525 2 2 -10.4684544611523 6504457 CN1C(=C(C=N1)N/C=C/2\C(=O)C=CC3=CC=CC=C32)C(=O)NC4=CC(=CC=C4)Cl 1 3.54 4 2 -2.65316936718231 6504438 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC(=O)CCSC3=NC4=CC=CC=C4S3 1 3.324 3 2 -5.98051723222767 6504434 C1COCCN1C2=NSN=C2OCC(=O)NN/C=C/3\C=CC=CC3=O 1 -0.488 5 4 0 -8.8716217177223 6504433 CC1=C(C(=CC=C1)C)OCC2=NC3=CC=CC=C3C(=O)N2N/C=C/4\C=NC5=CC=CC=C54 1 4.153 4 2 -4.76019012444283 6504432 C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2N/C=C/4\C=NC5=CC=CC=C54 1 3.18 4 2 -3.41843409431765 6504365 CCN\1CCS/C1=C\C=C\C2=[N+](CCS2)CC.[I-] I- 1 3.122 2 0 5.53786714548275 6504330 COC1=C/C(=C/NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3Cl)/C=C(C1=O)Br 1 2.852 2 5 0 -1.60807207913432 6504327 COC1=C/C(=C/NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3)/C=CC1=O 1 1.941 3 4 0 -2.24664740946341 6504326 CCOC1=C/C(=C/NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)/C=CC1=O 1 0.921 3 4 0 -7.58400487549308 6504263 CNC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=C(C=C3)Br 1 2.511 2 4 -17.4337771040027 6502653 C1=CC=C2C(=C1)C(=C(C(=O)N2)C=O)NCC3=CC=C(C=C3)Cl 1 2.347 2 2 -3.23404816800178 6502652 C1=CC=C2C(=C1)C(=C(C(=O)N2)C=O)NCCC3=CC=C(C=C3)F 1 2.209 2 2 -4.54904982759558 6502651 C1=CC=C2C(=C1)C(=C(C(=O)N2)C=O)NCCC3=CC(=CC=C3)F 1 2.209 2 2 -3.48661889756723 6502650 C1=CC=C(C(=C1)CNC2=C(C(=O)NC3=CC=CC=C32)C=O)Cl 1 2.347 2 2 -5.97699703718768 6502649 COC1=C(C=C(C=C1)CCNC2=C(C(=O)NC3=CC=CC=C32)C=O)OC 1 1.971 2 4 0 -9.67200779057401 6502647 C1CCC(CC1)NC2=C(C(=O)NC3=CC=CC=C32)C=O 1 1.957 2 2 0 -6.95089708180117 6502646 C1=CC=C2C(=C1)C(=C(C(=O)N2)C=O)NCC3=CC=C(C=C3)F 1 1.888 2 2 0 -4.34416983312335 6502644 C1=CC=C(C=C1)CNC2=C(C(=O)NC3=CC=CC=C32)C=O 1 1.683 2 2 0 -6.0392747603806 6502643 C1=CC=C2C(=C1)C(=C(C(=O)N2)C=O)NCC3=CC(=CC=C3)F 1 1.888 2 2 0 -3.58553860549854 6502460 CN1C(=O)C2=CC=CC=C2N(C1=O)CC3=C(C=CC(=C3)C(=O)OC)OC 1 2.398 2 5 0 -11.1792876228216 6502458 CN1C(=O)C2=CC=CC=C2N(C1=O)CC3=CC(=CC=C3)F 1 2.765 2 2 -2.45525459690737 6502450 CN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.398 3 5 0 -14.2359104856608 6502434 CN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)N3CCCC4=CC=CC=C43 1 2.349 3 3 -14.1346676682178 6502430 CN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NCCC3=CCCCC3 1 2.363 3 3 -17.2091214928054 6502399 CN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC3CCCC3 1 1.438 3 3 0 -12.2994535905348 6502383 CN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC3CCCCC3 1 1.894 3 3 0 -12.6539221047029 6502324 C1CC(OC1)CNC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=C(C=C4)F 1 2.184 3 4 0 -14.4117850977556 6502312 COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NCC4CCCO4 1 1.955 3 5 0 -16.9680393336338 6502309 CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCOC 1 2.977 2 3 -2.91109016229687 6502308 COCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3 1 2.491 2 3 -3.89431806408886 6502307 COCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC3=C(C=CC(=C3)C(=O)OC)OC 1 2.33 2 6 0 -10.1209654950914 6502306 CC1=CC(=CC=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCOC 1 2.977 2 3 -2.17830613086277 6502302 CC1=CC=CC=C1CN2C3=CC=CC=C3C(=O)N(C2=O)CCCOC 1 2.977 2 3 -4.70058589161418 6502295 COCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.33 3 6 0 -13.3463612068401 6502282 COCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)N3CCCC4=CC=CC=C43 1 2.281 3 4 0 -13.2451183893971 6502278 COCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NCCC3=CCCCC3 1 2.295 3 4 0 -16.3195722139846 6502249 COCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC3CCCC3 1 1.369 3 4 0 -11.4099043117141 6502237 COCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC3CCCCC3 1 1.826 3 4 0 -11.7643728258822 6502206 CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NCCC3=CCCCC3 1 2.712 3 3 -14.4598992342215 6502162 CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC3CCCCC3 1 2.243 3 3 -9.90469984611902 6502072 C1=CC2=C(N=C1)N(C(=S)N2)C3=CC=C(C=C3)F 1 4.078 3 0 -1.20121200593503 6502012 C1CC(=O)N(C1)CCOC2=CC=C(C=C2)C=O 1 1.226 1 3 0 -13.6408789299189 6501977 COC1=C(C=CC(=C1)CNC2=CC3=C(C=C2)NC(=O)N3)OCC4=CC=CC=C4 1 3.635 3 3 -14.5385642679726 6501976 C1=CC=C(C(=C1)CNC2=CC3=C(C=C2)NC(=O)N3)OCC4=CC=CC=C4Cl 1 4.316 3 2 -9.96485158558771 6501975 COC1=C(C=CC(=C1)CNC2=CC3=C(C=C2)NC(=O)N3)OCC4=CC=C(C=C4)Cl 1 4.3 3 3 -12.1832780972164 6501974 C1=CC=C(C(=C1)CNC2=CC3=C(C=C2)NC(=O)N3)OCC4=CC=C(C=C4)Cl 1 4.316 3 2 -7.86162886863878 6501940 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C 1 2.183 3 3 -3.33517189239786 6501878 CCCSC1=NN=C(S1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 3.217 5 3 0 -24.3877072366212 6501877 CCCSC1=NN=C(S1)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 3.088 5 3 0 -22.3461069147967 6501876 CCSC1=NN=C(S1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 2.693 5 3 0 -23.2016506664579 6501870 COC1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 2.97 3 4 0 -16.4449817010492 6501869 C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 2.986 3 3 -16.8468303966846 6501862 C1=CC(=CC=C1NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O)Br 1 3.406 3 3 -12.3831664329359 6501859 CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 3.144 3 3 -10.8608598250921 6501857 CSC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 3.2 3 3 -10.26227120952 6501853 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 2.625 3 5 0 -15.4098158039354 6501852 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 2.754 3 5 0 -16.2474926874347 6501851 CC1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 3.144 3 3 -15.3131981544136 6501598 CC1=C(C=C(C=C1)OCC2CN3C4=C(N=C3O2)N(C(=O)NC4=O)C)C 1 2.671 4 4 0 -2.63222875382786 6501596 CCN1C2=C(N=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N(C(=O)NC2=O)C 1 3.279 6 2 0 -8.47661297091722 6501580 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=CC=N3 1 2.662 3 3 -23.7286159807018 6501579 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCC(CC3)CC4=CC=CC=C4 1 3.192 2 4 -18.2082482394676 6501574 CC(C)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3 1 2.237 3 4 0 -19.2348594195819 6501571 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)F 1 3.144 2 3 -8.75072435965142 6501570 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)F)N(C1=O)C 1 1.781 3 4 0 -10.5895242157219 6501568 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)F 1 2.445 2 5 0 -13.1371079841513 6501565 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC=NC=C3 1 1.991 3 3 0 -22.0478668380301 6501562 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC=CC=N3 1 2.206 3 3 -23.7286159807018 6501561 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 2.849 3 3 -16.0647184518893 6501558 CC1=C(C=C(C=C1)N2C(=O)CC(=O)NC2=O)Cl 1 1.885 2 3 0 -6.47548053066646 6501492 COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.088 2 6 0 -12.490116665468 6501461 CCC(C(=O)NC1=NN=C(S1)C)SC2=NN=C(N2C)C3=CC=CO3 1 2.182 6 2 0 -14.4644497304382 6501449 CC(C(=O)NC1=NC=C(C=C1)Br)SC2=NC(=O)C3=C(N2)CCCC3 1 3.28 4 2 -19.3374693366084 6501446 CC(C(=O)NC1=CC=CC=C1C#N)SC2=NC(=O)C3=C(N2)CCCC3 1 3.022 4 2 -20.3154117614328 6501444 C1CCC2=C(C1)C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3C(=O)N 1 1.661 4 3 0 -22.9165518282583 6501441 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=O)C3=C(N2)CCCC3 1 1.848 4 4 0 -24.2365679169375 6501439 C1CCC2=C(C1)C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.364 4 4 0 -25.2303648229108 6501437 CC1=CC(=NO1)NC(=O)C(C)SC2=NC(=O)C=C(N2)C3=CC=CC=C3 1 2.462 4 3 0 -20.4996065253451 6501436 CC(C(=O)NC1=NC2=C(S1)CCCC2)SC3=NC(=CC(=O)N3)OC 1 2.627 4 3 0 -15.6651012204605 6501432 CC1=CC(=NO1)NC(=O)C(C)SC2=NC(=CC(=O)N2)OC 1 1.378 4 4 0 -22.4052026026801 6501425 CC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=NC(=CC(=O)N3)OC 1 3.148 3 3 -12.8168273030438 6501406 CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NC(=CC(=O)N3)OC 1 3.148 3 3 -15.0753228419593 6501065 CC(C(=O)NC1=NC=CS1)SC2=NN=C(N2C)C3=CC=NC=C3 1 1.375 6 1 0 -7.71003216561051 6501062 CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)C 1 0.726 5 1 0 -16.5699681241113 6501035 CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)F)CNC(=O)C3=CC4=C(C=C3)OCO4 1 2.283 5 4 0 -22.0488884211674 6501017 C=CCOC1=CC=CC=C1NC(=O)CN2C(=O)CNC2=O 1 0.282 3 4 0 -17.6125476564007 6500990 CC(C(=O)NC1=NC=CS1)SC2=NC=C(C=C2)[N+](=O)[O-] 1 1.772 4 3 0 -9.35530698677306 6500966 CCOC1=CC=CC=C1NC(=O)CN2C(=O)C=CC(=N2)C3=CC=CO3 1 2.017 3 4 0 -9.27370051061379 6500960 C1=COC(=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.013 3 3 -3.23125209444031 6500953 CC1=CC(=C(C=C1C(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CO3)C)OC 1 3.075 4 4 0 -11.6237740736215 6500948 CC1=NN=C(S1)NC(=O)C(C)SC2=NN=C(N2C)CCNC(=O)C3=CC=CC=C3F 1 1.777 7 2 0 -23.8262314070976 6500944 CC1=NN=C(S1)NC(=O)C(C)SC2=NN=C(N2C(C)C)C3=CC=CO3 1 2.385 6 2 0 -12.0283281142787 6500921 CCN1C(=NN=C1SC(C)C(=O)NC2=NN=C(S2)C)C3=CC=CO3 1 2.007 6 2 0 -12.1449097638547 6500889 CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SC(C)C(=O)NC3=NN=C(S3)C 1 1.809 7 2 0 -21.2614141940457 6500884 CC1=NN=C(S1)NC(=O)C(C)SC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3F 1 1.529 7 2 0 -23.2130119159006 6500473 COC1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.216 2 5 0 -8.53629572359459 6500442 COC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)N)C3=CC=CC=C3 1 2.385 4 2 2.8029944146372 6500438 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=NC=NN2 1 1.7 4 3 0 -7.41836859547311 6500437 COC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2=NC=NN2 1 1.267 4 3 0 -5.60697429854662 6500352 CC1=CC=CC=C1CSC2=NN3C(=C(C=NC3=N2)C(=O)C)C 1 3.395 4 1 -14.6228785539576 6500299 CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)CNC(=O)C3=CC=CC=C3OC 1 3.262 4 3 0 -17.8401132105199 6500294 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)CNC(=O)C3=CC=CC=C3OC 1 1.085 6 3 0 -24.1069198799101 6500286 CN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)C3=CC=CC=C3OC 1 2.369 5 3 0 -25.7209129724873 6500285 CC(C(=O)NC1=NC=CS1)SC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3OC 1 1.569 6 3 0 -19.0514076979885 6500235 CC(C)N1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=CO3 1 3.448 4 2 -14.0345726828092 6500230 CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C(C)C)C3=CC=CO3 1 1.9 6 2 0 -16.9106447726915 6500136 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CN=CC=C2 1 0.968 3 3 0 -18.3756772559362 6500132 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)N3CCCCCC3 1 2.09 3 5 0 -15.1668550813884 6500127 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3 1 2.394 2 6 0 -25.2196494212546 6500126 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N)C(=O)N3CCCCCC3 1 1.192 3 5 0 -22.0071695987824 6500122 CCN(CC)C(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCOCC3 1 1.514 3 6 0 -22.3574925317188 6500118 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)F)F)C(=O)N3CCOCC3 1 1.813 2 5 0 -11.9915290645682 6500116 CC1=C(C=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCOCC3)C(=O)OC 1 1.744 2 7 0 -16.5398043107622 6500115 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC=C)C(=O)N3CCOCC3 1 1.227 3 6 0 -25.8631480657234 6500112 COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)F)F)C(=O)N3CCOCC3 1 1.813 2 5 0 -12.8241699583791 6500111 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C(=O)N4CCOCC4 1 1.867 3 5 0 -20.8537171800959 6500110 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)C(=O)N4CCOCC4 1 1.645 3 6 0 -21.8097875657959 6500108 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)N3CCOCC3 1 0.591 2 6 0 -16.7532708803063 6500097 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCC3 1 1.938 2 6 0 -25.2196494212546 6500093 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CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)CN3C(=C(C(=N3)C)C)C 1 2.441 4 3 0 -21.6558522184838 6499851 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)CN3C(=C(C(=N3)C)C)C)C 1 2.927 4 3 0 -20.4545848482566 6499850 CC1=CC(=NN1C(=O)CN2C(=C(C(=N2)C)Br)C)C 1 2.034 4 1 -11.1838308800087 6499847 CC1=NN(C(=N1)C)CCNS(=O)(=O)C2=CC=CC=C2 1 0.572 4 2 0 -7.87619048390445 6499846 CC1=CC=C(C=C1)S(=O)(=O)NCCN2C(=NC(=N2)C)C 1 1.058 4 2 0 -7.1684774390021 6499845 CC1=C(C=C(C=C1)S(=O)(=O)NCCN2C(=NC(=N2)C)C)C 1 1.544 4 2 0 -7.02857300023587 6499844 CC1=NN(C(=N1)C)CCNC(=O)C2=CC=CO2 1 0.264 4 2 0 -8.79824533395706 6499842 CC(CNC(=O)C1=CC(=CC=C1)Br)N2C=NC=N2 1 1.778 4 1 0 -9.38727634491543 6499841 CC(CNS(=O)(=O)C1=CC=C(C=C1)Cl)N2C=NC=N2 1 1.397 4 2 0 -7.18809137452319 6499840 CC1=C(C=C(C=C1)S(=O)(=O)NCC(C)N2C=NC=N2)C 1 1.705 4 2 0 -8.87018562634377 6499838 CC1=CC=C(C=C1)S(=O)(=O)NCC(C)N2C=NC=N2 1 1.219 4 2 0 -9.01009006511 6499837 CC1=CC(=NN1C(C)CNC(=O)C2=CC3=C(C=C2)OCO3)C 1 1.91 3 3 0 -10.2424239265912 6499836 CC1=NN(C(=N1)C)C(C)CNC(=O)C2=CC(=CC=C2)Br 1 1.994 4 1 0 -6.3586984918845 6499834 CC1=NN(C(=N1)C)C(C)CNC(=O)C2=CC=CC=C2 1 1.246 4 1 0 -7.59621637391661 6499832 CC1=NN(C(=N1)C)C(C)CNC(=O)C2=CC=CO2 1 0.641 4 2 0 -6.61733123147786 6499831 CC1=C(C=C(C=C1)S(=O)(=O)NCC(C)N2C(=NC(=N2)C)C)C 1 1.921 4 2 0 -6.02990436764665 6499830 CC1=CC=C(C=C1)S(=O)(=O)NCC(C)N2C(=NC(=N2)C)C 1 1.435 4 2 0 -6.16980880641288 6499828 CC1=NN(C(=N1)C)C(C)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.613 4 2 0 -4.15951352149226 6499827 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=C(C(=N3)C)C)C)C 1 2.95 4 3 0 -18.8942829071516 6499826 CC1=C(N(N=C1C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C 1 2.156 4 3 0 -21.5144664134206 6499825 CC1=C(N(N=C1C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C 1 1.492 4 3 0 -24.2324747432436 6499824 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=C(C(=N3)C)C)C 1 1.978 4 3 0 -23.5247616983412 6499823 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=C(C(=N3)C)C)C)C 1 2.464 4 3 0 -22.3234943281141 6499817 CC1CCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C 1 1.686 3 4 0 -16.4789742377422 6499812 CC1=CC(=NN1C(=O)CN2C(=C(C(=N2)C)Cl)C)C 1 1.95 4 1 0 -10.2740583865353 6499808 CC1CCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)Cl)OC 1 1.372 4 4 0 -17.7095565487467 6499807 CC1CCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)Cl)C 1 1.874 4 3 0 -16.903664957921 6499804 CC1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4 1 0.779 3 5 0 -18.7761901648643 6499800 CC1CCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 -0.165 4 5 0 -26.1220796520303 6499793 CC1CCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.378 3 4 0 -19.2208912270593 6499792 CC1CCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C 1 1.686 3 4 0 -19.841622547419 6499791 CC1CCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C 1 2.173 3 4 0 -16.4124111264566 6499790 CC1CCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 1.2 3 4 0 -21.0428899176462 6499787 CC1=CC(=NN1C(C)CNS(=O)(=O)C2=CC=C(C=C2)Cl)C 1 2.509 3 2 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-10.2852298657374 6499473 C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=C(C4=C(S3)C(=O)C=C(N4)O)C#N 1 3.413 4 3 0 -11.3275283252018 6499472 CC1=CSC(=N1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 2.067 4 3 0 -14.9174374779907 6499471 C1=CSC(=N1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 1.784 4 3 0 -15.5561521558319 6499470 CCC1=NN=C(S1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 2.189 5 3 0 -21.9286943117767 6499469 C1=C(NC2=C(C1=O)SC(=C2C#N)SCC(=O)NC3=NN=CS3)O 1 1.261 5 3 0 -17.718683926535 6499461 CC1=CC(=C(C=C1)C)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 3.76 3 3 -15.3648239456156 6499460 C1=CC(=C(C=C1Cl)Cl)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 4.116 3 3 -11.7536627014774 6499458 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 3.129 3 5 0 -20.0134068853902 6499455 CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 3.921 3 4 0 -16.3787662465241 6499454 COC1=CC(=C(C=C1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N)OC 1 2.754 3 5 0 -18.1548605661016 6499453 CC1=C(C=CC(=C1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N)Br 1 4.022 3 3 -13.4380643172758 6499452 C1=CC(=CC(=C1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N)C#N 1 2.666 4 3 0 -13.4686917022853 6499441 COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 3.435 3 4 0 -13.9673716498713 6499440 CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 3.938 3 3 -13.1614800590456 6499439 CCOC1=CC=CC(=C1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 3.12 3 4 0 -14.7415457460494 6499438 CC1=CC(=C(C=C1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N)F 1 3.479 3 3 -13.3376427718007 6499437 CC1=C(C=C(C=C1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N)C 1 3.76 3 3 -13.8340970765607 6499436 COC1=CC=CC=C1NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 2.771 3 4 0 -17.1178970094758 6499435 CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 3.938 3 3 -12.330243246787 6499434 C1=CC(=CC=C1C(F)(F)F)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 3.729 3 3 -9.99041537458826 6499433 C1=CC(=CC(=C1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N)C(F)(F)F 1 3.729 3 3 -9.22036967229582 6499432 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 3.729 3 3 -14.4476679284853 6499421 C1=CC(=CC(=C1)F)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 2.993 3 3 -11.7951765962901 6499378 COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(S2)C(=O)NC(=O)N3)OC 1 1.537 4 5 0 -22.7934197391161 6499374 C1=CC(=CC(=C1)F)NC(=O)CSC2=NC3=C(S2)C(=O)NC(=O)N3 1 1.776 4 3 0 -15.6722953244527 6499355 C1=CSC(=N1)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 1.655 4 3 0 -14.7184752723326 6499354 CCC1=NN=C(S1)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 2.06 5 3 0 -21.0910174282774 6499351 CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O)C 1 3.63 3 3 -13.2127032942694 6499350 CCC1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 3.6 3 3 -14.8688070519451 6499349 C1=CC(=CC=C1C#N)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 2.537 4 3 0 -15.3742445280919 6499348 COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 2.609 3 6 0 -17.8449654956948 6499347 CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O)Br 1 3.893 3 3 -13.9315751394526 6499345 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 3 3 5 0 -19.1757300018909 6499342 COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O)OC 1 2.625 3 5 0 -17.3171836826023 6499341 CC1=C(C=CC(=C1)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O)Br 1 3.893 3 3 -12.6003874337765 6499340 C1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O)C#N 1 2.537 4 3 0 -14.6489686088775 6499339 C1=CC(=CC(=C1)Br)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 3.406 3 3 -11.2897888399359 6499338 C1=C(C=C(C=C1Cl)Cl)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 3.987 3 3 -11.821120177358 6499336 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O 1 3.63 3 3 -14.9680324597019 6499335 COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O)OC 1 2.625 3 5 0 -18.0786241274542 6499334 C1=CC(=C(C=C1NC(=O)CSC2=NC3=C(S2)C(=O)C=C(N3)O)C(F)(F)F)Cl 1 4.265 3 3 -12.8659306320353 6499096 C1COCCN1CC2=CN(C3=CC=CC=C32)CC(=O)O 1 -1.463 2 3 0 -5.7305057278734 6499078 CC1=CC(=CC(=C1Br)C)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=CS3 1 3.964 3 2 -8.67780106279383 6499077 CC1=C(C=CC(=C1C)Br)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=CS3 1 3.964 3 2 -8.68005972888762 6499073 CC1=C(C(=CC=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=CS3)C 1 3.215 3 2 -7.37619783377054 6499071 CC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=CS3 1 3.393 3 2 -7.8603606762768 6499066 C1=CSC(=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)Br 1 2.991 3 2 -7.91972393366642 6499037 CC1=CC=C(C=C1)OC(C)C(=O)N2CC(=O)NC3=CC=CC=C32 1 2.432 2 3 -13.9113511589374 6499034 CCC(C(=O)NC1=CC2=C(C=C1)N(C(=O)N2C)C)OC3=CC=C(C=C3)C 1 3.218 3 3 -15.448413524781 6499031 CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C 1 2.599 3 3 -13.3447525800925 6499026 CCC(C(=O)NC1=CC2=C(C=C1)N(C(=O)N2C)C)OC3=CC=CC=C3OC 1 2.716 3 4 0 -18.378003327224 6499018 CS(=O)(=O)N(CCCC(=O)N1CCCCCC1)C2=CC(=CC=C2)Cl 1 2.819 2 3 -12.4434988859804 6499017 CCC(C(=O)NC1=CC2=C(C=C1)OCO2)OC3=CC=CC=C3OC 1 3.209 1 5 -13.6486179919453 6499014 CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCC3 1 3.027 2 3 -14.5684239912436 6499008 CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)N 1 1.747 3 4 0 -13.2497053957132 6499004 COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC 1 2.736 2 4 -16.8470471929782 6499003 CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCOCC3 1 1.057 3 4 0 -19.9632648700367 6498996 COC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC 1 3.057 2 4 -17.104300468677 6498935 CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=C3 1 3.073 2 3 -17.5061491643124 6498937 CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC3 1 1.658 2 3 0 -14.7275616572426 6498941 CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3 1 3.033 2 3 -18.251608442695 6498974 CCC(C(=O)NCCN1CCOCC1)OC2=CC=CC=C2F 1 1.913 2 3 0 -12.0432145861639 6498969 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC 1 1.866 3 4 0 -12.3717883005591 6498967 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC3=CC=CC=C3OC 1 2.703 1 5 -15.0395547721616 6498931 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3COC4=CC=CC=C4O3 1 1.175 2 7 0 -19.2160865741852 6498925 CC(C)SC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C 1 3.157 3 2 -15.026808339393 6498924 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC 1 2.92 2 6 0 -18.2031523307982 6498922 COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)S(=O)(=O)N3CCOCC3 1 0.798 2 6 0 -18.3847070183724 6498921 CC(C(=O)NC1=CC=CC=C1C(=O)NCC2=CN=CC=C2)OC3=CC=CC=C3OC 1 2.558 3 4 0 -21.4818385424782 6498917 CCOC1=C(C=C(C=C1)CNS(=O)(=O)C2=CC=CS2)OCC 1 2.775 1 4 -10.5696332666014 6498903 CC1=CC(=C(C=C1)OC(C)C(=O)N2CC(=O)NC3=CC=CC=C32)C 1 2.918 2 3 -14.2192519670042 6498892 CC1=C(C=C(C=C1)OC(C)C(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C)C 1 3.181 3 3 -16.3125750611762 6498889 CC1=CC(=CC(=C1)OC(C)C(=O)NCCCN2C=CN=C2)C 1 2.134 3 2 -8.65130377367407 6498888 CC(C)(C)C1=CC=CC=C1OCC(=O)NCCCN2C=CN=C2 1 2.077 3 2 -6.58573895349793 6498885 CCN1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC 1 1.681 3 3 0 -13.8962139263901 6498882 C1CCCC(CC1)NC(=O)CNC(=O)C2=CC=CO2 1 1.807 2 3 0 -12.6601810356112 6498846 CN(C)C(=O)N1CCN(C1C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.116 3 5 0 -15.9515872350265 6498844 CC1CN(C(N1C(=O)N(C)C)C(C)C)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.988 3 4 0 -15.0338215266934 6498843 CC(C)C1N(CCN1S(=O)(=O)C2=CC=CC=C2)C(=O)N(C)C 1 1.627 3 3 0 -14.619002851009 6498840 CC1CN(C(N1C(=O)N(C)C)C)S(=O)(=O)C2=CC=C(C=C2)OC 1 0.887 3 4 0 -15.3251429618174 6498839 CC1N(CCN1S(=O)(=O)C2=CC=CC=C2)C(=O)N(C)C 1 0.525 3 3 0 -15.6220769343454 6498838 CC1N(CCN1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)N(C)C 1 0.509 3 4 0 -15.1390335042534 6498832 CC(C)C1N(CCN1S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCOCC3 1 1.315 3 4 0 -14.9987750862194 6498831 CC1CN(C(N1C(=O)N2CCOCC2)C)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 1.533 3 4 0 -11.2130246777241 6498830 CC1N(CCN1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCOCC3 1 1.156 3 4 0 -11.1140125770962 6498829 CC1CN(C(N1C(=O)N2CCOCC2)C)S(=O)(=O)C3=CC=C(C=C3)F 1 0.796 3 4 0 -14.4929746054824 6498827 CC1N(CCN1S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)N3CCOCC3 1 0.878 3 4 0 -13.2838408397329 6498826 CC1N(CCN1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)N3CCOCC3 1 0.197 3 5 0 -15.5188057394638 6498825 CC1CN(C(N1C(=O)N2CCOCC2)C)S(=O)(=O)C3=CC=C(C=C3)C 1 1.077 3 4 0 -15.2048516309476 6498824 CC1CN(C(N1C(=O)N2CCOCC2)C)S(=O)(=O)C3=CC=CC=C3 1 0.591 3 4 0 -16.1008612701838 6498823 CC1CN(CN1C(=O)N2CCOCC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 1.355 3 4 0 -14.689045010467 6498822 CC1CN(CN1C(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)F 1 0.618 3 4 0 -17.9689949382252 6498821 C1CN(CN1C(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 0.7 3 4 0 -17.2868587479732 6498820 CC1CN(CN1C(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 0.396 3 5 0 -19.0938381728346 6498819 CC1CN(CN1C(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C 1 0.899 3 4 0 -18.6808719636905 6498818 CC1CN(CN1C(=O)N2CCOCC2)S(=O)(=O)C3=CC=CC=C3 1 0.413 3 4 0 -19.5768816029266 6498770 C1CC(=O)N(C1)CCOC2=CC=CC(=C2)C(=O)O 1 1.097 1 4 0 -13.8128775440752 6498761 CN1C2=C(C=C(C=C2)Cl)C=C1CNC(=O)C3CCCCC3 1 4.325 2 1 -2.70788072402068 6498760 CN1C2=C(C=C(C=C2)Cl)C=C1CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.814 2 4 -6.96493553760984 6498756 CCN1C2=C(C=C(C=C2)C)C=C1CNC(=O)C3=CC=CC=C3F 1 4.239 2 1 -8.44448633376914 6498753 CCN1C2=C(C=C(C=C2)C)C=C1CNC(=O)C3CCCCC3 1 4.496 2 1 -6.25800091501458 6498751 CCN1C2=C(C=C(C=C2)C)C=C1CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.984 2 4 -10.5150557286038 6498745 CC1=CC2=C(C=C1)NC(=C2)CNC(=O)C3=CC=CC=C3F 1 3.684 2 1 -0.172339712078955 6498741 CC1=CC2=C(C=C1)NC(=C2)CNC(=O)C3CCCCC3 1 3.941 2 1 2.0141457066756 6498740 CC1=CC2=C(C=C1)NC(=C2)CNC(=O)C3=CC=C(C=C3)F 1 3.684 2 1 2.50158075531709 6498724 CCN1C2=CC=CC=C2C=C1CNC(=O)C3=CC=CC=C3F 1 3.753 2 1 -10.1820988596669 6498721 CCN1C2=CC=CC=C2C=C1CNC(=O)C3CCCCC3 1 4.009 2 1 -7.82720044389995 6498720 CCN1C2=CC=CC=C2C=C1CNC(=O)C3=CC=C(C=C3)F 1 3.753 2 1 -7.33976539525846 6498718 CCN1C2=CC=CC=C2C=C1CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.498 2 4 -12.0842552574891 6498714 CCN1C2=CC=CC=C2C=C1CNC(=O)C3=CC=CC=C3Cl 1 4.212 2 1 -8.98932755734144 6498712 CCN1C2=CC=CC=C2C=C1CNC(=O)C3=CN=CC=C3 1 2.397 3 1 -10.1321974574435 6498696 CN1C2=CC=CC=C2C=C1CNC(=O)C3=CC=CC=C3F 1 3.404 2 1 -7.91661292986343 6498693 CN1C2=CC=CC=C2C=C1CNC(=O)C3CCCCC3 1 3.661 2 1 -5.56171451409647 6498692 CN1C2=CC=CC=C2C=C1CNC(=O)C3=CC=C(C=C3)F 1 3.404 2 1 -5.07427946545498 6498691 CN1C2=CC=CC=C2C=C1CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.149 2 4 -9.81876932768564 6498689 CN1C2=CC=CC=C2C=C1CNC(=O)C3=CC=C(C=C3)OC 1 3.182 2 2 -6.19912270006437 6498673 CC1=NC=C(C=C1)C(=O)NCCCNC(=O)COC2=CC(=C(C=C2)Cl)C 1 2.075 3 3 -14.9742316330169 6498672 CC1=NC=C(C=C1)C(=O)NCCCNC(=O)C2=C(C(=CC=C2)C)OC 1 1.558 3 3 0 -14.5079693420588 6498665 CC1=NC=C(C=C1)C(=O)NCCCNC(=O)CC2=CC=C(C=C2)Cl 1 1.788 3 2 0 -14.2451700084571 6498664 CC1=NC=C(C=C1)C(=O)NCCCNC(=O)CC2=CC=CC=C2 1 1.123 3 2 0 -16.8819836038235 6498663 CC1=NC=C(C=C1)C(=O)NCCCNC(=O)C2=CC=CO2 1 0.484 3 3 0 -12.6559319745491 6498662 CC1=NC=C(C=C1)C(=O)NCCCNC(=O)COC2=CC=C(C=C2)Cl 1 1.588 3 3 0 -13.935283140487 6498661 CC1=NC=C(C=C1)C(=O)NCCCNC(=O)COC2=CC=CC=C2Cl 1 1.588 3 3 0 -16.3374188252619 6498660 CC1=C(C=C(C=C1)OCC(=O)NCCCNC(=O)C2=CN=C(C=C2)C)C 1 1.896 3 3 0 -16.1314904105733 6498659 CC1=CC=C(C=C1)OCC(=O)NCCCNC(=O)C2=CN=C(C=C2)C 1 1.41 3 3 0 -15.9455784254076 6498658 CC1=CC(=CC=C1)OCC(=O)NCCCNC(=O)C2=CN=C(C=C2)C 1 1.41 3 3 0 -14.8537356362688 6498656 CC1=NC=C(C=C1)C(=O)NCCCNC(=O)C2=CC=C(C=C2)OC 1 1.072 3 3 0 -11.9753355512733 6498651 CC1=NC=C(C=C1)C(=O)NCCCNC(=O)C2=CC=C(C=C2)Cl 1 1.753 3 2 0 -9.74037065154231 6498648 CC1=NC=C(C=C1)C(=O)NCCCNC(=O)C2=CC=CC=C2F 1 1.294 3 2 0 -14.8012129914093 6498647 CC1=CC=C(C=C1)C(=O)NCCCNC(=O)C2=CN=C(C=C2)C 1 1.575 3 2 0 -11.7506659364629 6498646 CC1=NC=C(C=C1)C(=O)NCCCNC(=O)C2=CC(=CC=C2)C 1 1.575 3 2 0 -11.7552058814626 6498645 CC1=NC=C(C=C1)C(=O)NCCCNC(=O)C2=CC=CC=C2C 1 1.575 3 2 0 -16.186661675384 6498635 CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2=CN=C(C=C2)C 1 1.215 3 3 0 -14.3473701015355 6498634 CC1=NC=C(C=C1)C(=O)NCCNS(=O)(=O)C2=CC=CC=C2 1 0.729 3 3 0 -15.0550831464379 6498633 CC1=NC=C(C=C1)C(=O)NCCNC(=O)CC2=CC=CC=C2 1 1.061 3 2 0 -15.729743776017 6498632 CC1=NC=C(C=C1)C(=O)NCCNC(=O)C2=CC=CO2 1 0.421 3 3 0 -11.5036921467426 6498631 CC1=NC=C(C=C1)C(=O)NCCNC(=O)COC2=CC=C(C=C2)Cl 1 1.526 3 3 0 -12.7830433126805 6498630 CC1=NC=C(C=C1)C(=O)NCCNC(=O)COC2=CC=CC=C2Cl 1 1.526 3 3 0 -15.1851789974554 6498629 CC1=C(C=C(C=C1)OCC(=O)NCCNC(=O)C2=CN=C(C=C2)C)C 1 1.834 3 3 0 -14.9792505827668 6498628 CC1=CC=C(C=C1)OCC(=O)NCCNC(=O)C2=CN=C(C=C2)C 1 1.348 3 3 0 -14.7933385976011 6498627 CC1=NC=C(C=C1)C(=O)NCCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 0.977 3 5 0 -14.485295266124 6498625 CCCOC1=CC=CC(=C1)C(=O)NCCNC(=O)C2=CN=C(C=C2)C 1 1.882 3 3 0 -12.1974323786445 6498624 CC1=NC=C(C=C1)C(=O)NCCNC(=O)C2=CC=C(C=C2)OC 1 1.01 3 3 0 -10.8230957234668 6498623 CC1=NC=C(C=C1)C(=O)NCCNC(=O)C2=CC(=CC=C2)OC 1 1.01 3 3 0 -11.5533184929853 6498622 CC1=NC=C(C=C1)C(=O)NCCNC(=O)C2=CC=CC=C2OC 1 1.01 3 3 0 -13.9774341281503 6498619 CC1=NC=C(C=C1)C(=O)NCCNC(=O)C2=CC=C(C=C2)F 1 1.232 3 2 0 -9.69825248885737 6498616 CC1=CC=C(C=C1)C(=O)NCCNC(=O)C2=CN=C(C=C2)C 1 1.512 3 2 0 -10.5984261086564 6498611 C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C(=O)NCCCNC(=O)C3=NC=CN=C3 1 1.953 4 3 0 -4.6239454237081 6498610 CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NCCCNC(=O)C3=NC=CN=C3)Cl 1 2.44 4 3 0 -8.05886726797493 6498608 C1=CC(=C(C=C1Cl)Cl)OCC(=O)NCCCNC(=O)C2=NC=CN=C2 1 1.248 4 3 0 -14.6765660896428 6498607 C1=CC=C(C(=C1)C(=O)NCCCNC(=O)C2=NC=CN=C2)Cl 1 0.748 4 2 0 -13.9360720335995 6498598 C1=CC(=CC=C1OCC(=O)NCCCNC(=O)C2=NC=CN=C2)Br 1 0.668 4 3 0 -15.7195732301041 6498597 C1=CC(=CC=C1OCC(=O)NCCCNC(=O)C2=NC=CN=C2)Cl 1 0.584 4 3 0 -14.2629134850027 6498596 C1=CC=C(C(=C1)OCC(=O)NCCCNC(=O)C2=NC=CN=C2)Cl 1 0.584 4 3 0 -16.6650491697776 6498595 CC1=C(C=C(C=C1)OCC(=O)NCCCNC(=O)C2=NC=CN=C2)C 1 0.892 4 3 0 -16.2708241607552 6498593 CC1=CC(=CC=C1)OCC(=O)NCCCNC(=O)C2=NC=CN=C2 1 0.406 4 3 0 -14.9930693864507 6498591 COC1=CC=C(C=C1)C(=O)NCCCNC(=O)C2=NC=CN=C2 1 6.8e-002 4 3 0 -13.5797661031383 6498590 COC1=CC=CC=C1C(=O)NCCCNC(=O)C2=NC=CN=C2 1 6.8e-002 4 3 0 -15.4573043004724 6498589 COC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=NC=CN=C2)Br 1 0.816 4 3 0 -14.0310479964471 6498588 C1=CC(=C(C=C1C(=O)NCCCNC(=O)C2=NC=CN=C2)Cl)Cl 1 1.413 4 2 0 -11.8915354853993 6498587 C1=CC(=C(C=C1Cl)C(=O)NCCCNC(=O)C2=NC=CN=C2)Cl 1 1.413 4 2 0 -11.3093727990666 6498586 C1=CC(=CC=C1C(=O)NCCCNC(=O)C2=NC=CN=C2)Br 1 0.832 4 2 0 -12.8014609485088 6498585 C1=CC(=CC(=C1)Cl)C(=O)NCCCNC(=O)C2=NC=CN=C2 1 0.748 4 2 0 -10.6938864498495 6498584 C1=CC(=CC=C1C(=O)NCCCNC(=O)C2=NC=CN=C2)Cl 1 0.748 4 2 0 -11.3448012034074 6498583 C1=CC(=CC(=C1)F)C(=O)NCCCNC(=O)C2=NC=CN=C2 1 0.29 4 2 0 -12.3422667807048 6498582 CC(C)C1=CC=C(C=C1)C(=O)NCCCNC(=O)C2=NC=CN=C2 1 1.278 4 2 0 -12.8833401973426 6498580 CC1=CC=CC=C1C(=O)NCCCNC(=O)C2=NC=CN=C2 1 0.57 4 2 0 -16.3259954255658 6498571 C1=CC(=CC=C1OCC(=O)NCCNC(=O)C2=NC=CN=C2)Cl 1 0.521 4 3 0 -13.1106736571961 6498570 C1=CC=C(C(=C1)OCC(=O)NCCNC(=O)C2=NC=CN=C2)Cl 1 0.521 4 3 0 -15.5128093419711 6498569 CC1=C(C=C(C=C1)OCC(=O)NCCNC(=O)C2=NC=CN=C2)C 1 0.829 4 3 0 -15.1185843329487 6498568 CC1=CC=C(C=C1)OCC(=O)NCCNC(=O)C2=NC=CN=C2 1 0.343 4 3 0 -14.932672347783 6498567 CC1=CC(=CC=C1)OCC(=O)NCCNC(=O)C2=NC=CN=C2 1 0.343 4 3 0 -13.8408295586442 6498566 COC1=CC(=CC(=C1OC)OC)C(=O)NCCNC(=O)C2=NC=CN=C2 1 -2.8e-002 4 5 0 -15.9827689157495 6498565 COC1=C(C=C(C=C1)C(=O)NCCNC(=O)C2=NC=CN=C2)OC 1 -1.1e-002 4 4 0 -16.9855304157941 6498564 CCCOC1=CC=CC(=C1)C(=O)NCCNC(=O)C2=NC=CN=C2 1 0.878 4 3 0 -13.6194721112519 6498563 COC1=CC=C(C=C1)C(=O)NCCNC(=O)C2=NC=CN=C2 1 5.e-003 4 3 0 -12.4275262753318 6498562 COC1=CC=CC(=C1)C(=O)NCCNC(=O)C2=NC=CN=C2 1 5.e-003 4 3 0 -12.9753582255928 6498560 C1=CC(=C(C=C1C(=O)NCCNC(=O)C2=NC=CN=C2)Cl)Cl 1 1.35 4 2 0 -10.7392956575928 6498559 C1=CC(=C(C=C1Cl)C(=O)NCCNC(=O)C2=NC=CN=C2)Cl 1 1.35 4 2 0 -10.1571329712601 6498558 C1=CC(=C(C=C1Cl)Cl)C(=O)NCCNC(=O)C2=NC=CN=C2 1 1.35 4 2 0 -8.43829453699609 6498557 C1=CC(=CC(=C1)Cl)C(=O)NCCNC(=O)C2=NC=CN=C2 1 0.686 4 2 0 -9.54164662204302 6498556 C1=CC(=CC=C1C(=O)NCCNC(=O)C2=NC=CN=C2)Cl 1 0.686 4 2 0 -10.1925613756009 6498554 CC1=CC=C(C=C1)C(=O)NCCNC(=O)C2=NC=CN=C2 1 0.508 4 2 0 -12.0145600661877 6498553 CC1=CC=CC(=C1)C(=O)NCCNC(=O)C2=NC=CN=C2 1 0.508 4 2 0 -11.8367091919297 6498552 CC1=CC=CC=C1C(=O)NCCNC(=O)C2=NC=CN=C2 1 0.508 4 2 0 -15.1737555977593 6498520 CC1=CC2=C(C=C1)N3C(=NN=N3)C(=C2)CN(CC(C)(C)CN(C)C)C(=S)NC 1 3.444 7 0 0 -10.790186414743 6498519 CCCNC(=S)N(CC1=CC2=C(C=CC(=C2)C)N3C1=NN=N3)CC(C)(C)CN(C)C 1 4.316 7 0 0 -12.9708011190989 6498518 CCC(C)NC(=S)N(CC1=CC2=C(C=CC(=C2)C)N3C1=NN=N3)CC(C)(C)NC(C)C 1 4.553 7 0 0 -17.4741621258846 6498473 CC(C(=O)O)SC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3 1 3.798 2 3 -6.82996274070144 6498472 C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)SCC(=O)O 1 3.314 2 3 -7.96515999536319 6498452 COC1=C(C=C2C(=C1)C3=C(N2CC(=O)NC4CCCC4)C(=O)N5CCSC5=N3)OC 1 3.275 4 4 0 -19.8452417774286 6498451 COC1=C(C=C2C(=C1)C3=C(N2CC(=O)NCC4CCCO4)C(=O)N5CCSC5=N3)OC 1 2.231 4 5 0 -27.770718217285 6498448 CC1CCN(CC1)C(=O)CN2C3=CC(=C(C=C3C4=C2C(=O)N5CCSC5=N4)OC)OC 1 3.247 4 4 0 -21.8104138695923 6498447 COC1=C(C=C2C(=C1)C3=C(N2CC(=O)N4CCCC4)C(=O)N5CCSC5=N3)OC 1 2.539 4 4 0 -18.7668357515198 6498441 C1CCC(C1)NC(=O)CN2C3=C(C=C(C=C3)F)C4=C2C(=O)N5CCSC5=N4 1 3.513 4 2 -13.5700130735804 6498439 COC1=CC=CC=C1NC(=O)CN2C3=C(C=C(C=C3)F)C4=C2C(=O)N5CCSC5=N4 1 3.671 4 3 0 -14.0553547943778 6498438 C1CCN(C1)C(=O)CN2C3=C(C=C(C=C3)F)C4=C2C(=O)N5CCSC5=N4 1 2.778 4 2 -12.4916070476716 6498434 CC1=CC2=C(C=C1)N(C3=C2N=C4N(C3=O)CCS4)CC(=O)N5CCCC5 1 3.058 4 2 -12.7884115731298 6498431 CC1CCCN(C1)C(=O)CN2C3=CC=CC=C3C4=C2C(=O)N5CCSC5=N4 1 3.348 4 2 -16.2025882518513 6498394 C1COC2=C(O1)C=CC(=C2)N3C(=C(N=N3)C(=O)NC4=CC=CC=C4Cl)N 1 2.63 5 3 0 -11.7137178952772 6498393 C1COC2=C(O1)C=CC(=C2)N3C(=C(N=N3)C(=O)NC4=CC(=CC=C4)F)N 1 2.171 5 3 0 -10.153524200072 6498391 CC1=CC=CC=C1NC(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)N 1 2.452 5 3 0 -14.2790749426957 6498388 CCOC1=CC=CC=C1NC(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)N 1 2.298 5 4 0 -16.0393476631387 6498387 C1COC2=C(O1)C=CC(=C2)N3C(=C(N=N3)C(=O)NC4=CC=CC=C4)N 1 1.966 5 3 0 -11.9613460998542 6498386 CC1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)N 1 2.452 5 3 0 -11.8046919614808 6498226 CCOC1=C(C=C(C=C1)Cl)CNCCCSC2=NC=CC=N2 1 3.359 3 1 -0.511483199114039 6498225 CCOC1=CC=C(C=C1)CNCCCSC2=NC=CC=N2 1 2.695 3 1 -4.0048826956973 6498216 CC1=CC=C(C=C1)CNCCCSC2=NC=CC=N2 1 2.849 3 0 -2.82569333484514 6498152 CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC)CNC(=O)C3=CC=CO3 1 2.086 4 5 0 -19.7920012462059 6498145 CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC)CNC(=O)C3=CC=CC=C3F 1 2.896 4 4 0 -21.937282263066 6498138 COC1=C(C(=CC(=C1)CN2C3=CC=CC=C3N=N2)Br)O 1 3.714 3 2 -3.38629919222271 6498136 COC1=C(C=CC(=C1)CN2C3=CC=CC=C3N=N2)O 1 2.965 3 2 -4.86076482225805 6498134 C1=CC=C2C(=C1)N=NN2CC3=C(C=CC(=C3)Br)O 1 3.73 3 1 -0.87175644359169 6498106 C1COC2=C(O1)C=CC(=C2)NC(=O)CCSCC3=CC=CC=C3 1 3.049 1 3 -13.7424896411937 6498050 CN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C3CC3)COC4=CC=CC=C4OC 1 2.356 6 3 0 -21.1891144145395 6498044 CN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C3CC3)COC4=CC=C(C=C4)OC 1 2.356 6 3 0 -17.8285982761203 6498042 CCN1C(=NN=C1SCC(=O)NC2=NN=CS2)C3=CC=CO3 1 1.262 6 2 0 -14.1286575190134 6498039 CCCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C)C3=CC=CO3 1 2.297 6 2 0 -15.9636987269687 6497864 C=CCN1C(=NN=C1SCC(=O)NC2=NN=CS2)C3=CC=CO3 1 1.53 6 2 0 -17.519864549503 6497856 CCN1C(=NN=C1SCC(=O)NC2=NCCS2)CC(=O)NC3=CC=C(C=C3)F 1 2.388 6 2 0 -23.2902332907975 6497855 CCN1C(=NN=C1SCC(=O)NC2=NN=CS2)CC(=O)NC3=CC=C(C=C3)F 1 1.374 7 2 0 -19.7528027435824 6497839 CCN1C(=NN=C1SCC(=O)NC2=NCCS2)CC(=O)NC3=CC=CC=C3C 1 2.668 6 2 0 -26.5668030922551 6497838 CCN1C(=NN=C1SCC(=O)NC2=NN=CS2)CC(=O)NC3=CC=CC=C3C 1 1.654 7 2 0 -23.0293725450399 6497831 CN1C(=NN=C1SCC(=O)NC2=NN=CS2)CC(=O)NC3=CC=C(C=C3)F 1 1.025 7 2 0 -18.4799902007143 6497820 CN1C(=NN=C1SCC(=O)NC2=NCCS2)CC(=O)NC3=CC=CC=C3Cl 1 2.498 6 2 0 -22.7286335019686 6497819 CN1C(=NN=C1SCC(=O)NC2=NN=CS2)CC(=O)NC3=CC=CC=C3Cl 1 1.484 7 2 0 -19.1912029547534 6497814 CC1=CC(=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=NN=CS3)C 1 1.792 7 2 0 -21.9542083231586 6497809 CN1C(=NN=C1SCC(=O)NC2=NCCS2)CC(=O)NC3=C(C(=CC=C3)Cl)Cl 1 3.162 6 2 0 -22.8163327516491 6497804 CN1C(=NN=C1SCC(=O)NC2=NCCS2)CC(=O)NC3=CC=CC=C3OC 1 1.817 6 3 0 -26.26101252095 6497801 CN1C(=NN=C1SCC(=O)NC2=NCCS2)CC(=O)NC3=CC=C(C=C3)OC 1 1.817 6 3 0 -23.1422639825389 6497797 CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=NCCS3 1 2.32 6 2 0 -25.293990549387 6497784 CC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=NCCS3 1 2.32 6 2 0 -22.7292977733947 6497783 CC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=NN=CS3 1 1.306 7 2 0 -19.1918672261796 6497777 CCN1C(=NN=C1SCC(=O)NC2=NCCS2)CC(=O)NC3=CC=CC=C3 1 2.182 6 2 0 -24.1587644546361 6497776 CCN1C(=NN=C1SCC(=O)NC2=NN=CS2)CC(=O)NC3=CC=CC=C3 1 1.168 7 2 0 -20.621333907421 6497772 CN1C(=NN=C1SCC(=O)NC2=NCCS2)CC(=O)NC3=CC=CC=C3 1 1.833 6 2 0 -22.8859519117681 6497764 CCN1C(=NN=C1SCC(=O)NC2=NN=CS2)CC(=O)NC3=CC=CC=C3F 1 1.374 7 2 0 -21.7195309160613 6497760 CN1C(=NN=C1SCC(=O)NC2=NCCS2)CC(=O)NC3=CC=CC=C3F 1 2.039 6 2 0 -23.9841489204084 6497759 CN1C(=NN=C1SCC(=O)NC2=NN=CS2)CC(=O)NC3=CC=CC=C3F 1 1.025 7 2 0 -20.4467183731932 6497747 CN1C(=NN=C1SCC(=O)NC2=NCCS2)CC(=O)NC3=CC(=CC=C3)OC 1 1.817 6 3 0 -22.7855585878512 6497736 CCN1C(=NN=C1SCC(=O)NC2=NCCS2)CNC(=O)C3=CC=C(C=C3)Cl 1 2.605 6 2 0 -26.3225021729634 6497731 CN1C(=NN=C1SCC(=O)NC2=NCCS2)CNC(=O)C3=CC=C(C=C3)Cl 1 2.256 6 2 0 -25.0496896300953 6497725 CCN1C(=NN=C1SCC(=O)NC2=NCCS2)CNC(=O)C3=CC(=CC=C3)C 1 2.427 6 2 0 -27.9666499892922 6497721 CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=NCCS3 1 2.078 6 2 0 -26.6938374464242 6497720 CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=NN=CS3 1 1.064 7 2 0 -23.156406899209 6497710 CC(C1=NN=C(N1C)SCC(=O)NC2=NCCS2)NC(=O)C3=CC=CC=C3 1 2.076 6 2 0 -27.7432596899151 6497708 CC(C1=NN=C(N1C)SCC(=O)NC2=NN=C(S2)C3CC3)NC(=O)C4=CC=CC=C4 1 2.081 7 2 0 -24.6845443206702 6497706 CN1C(=NN=C1SCC(=O)NC2=NCCS2)CNC(=O)C3=CC=C(C=C3)OC 1 1.576 6 3 0 -27.2846545298263 6497701 CC(C1=NN=C(N1C)SCC(=O)NC2=NCCS2)NC(=O)C3=CC=CC=C3Br 1 2.825 6 2 0 -25.5319420235089 6497700 CCN1C(=NN=C1SCC(=O)NC2=NCCS2)C(C)NC(=O)C3=CC=C(C=C3)Cl 1 3.09 6 2 0 -26.3122303643478 6497696 CC(C1=NN=C(N1C)SCC(=O)NC2=NCCS2)NC(=O)C3=CC=C(C=C3)Cl 1 2.741 6 2 0 -25.1256134318189 6497685 CN1C(=NN=C1SCC(=O)NC2=NN=CS2)CCNC(=O)C3=CC=CC=C3F 1 1.032 7 2 0 -25.9095207065948 6497683 CC(C1=NN=C(N1C)SCC(=O)NC2=NCCS2)NC(=O)C3=CC=C(C=C3)OC 1 2.06 6 3 0 -27.3605783315499 6497681 CCN1C(=NN=C1SCC(=O)NC2=NCCS2)C(C)NC(=O)C3=CC=CC=C3F 1 2.631 6 2 0 -28.8296160682283 6497677 CC(C1=NN=C(N1C)SCC(=O)NC2=NCCS2)NC(=O)C3=CC=CC=C3F 1 2.282 6 2 0 -27.6429991356994 6497676 CC(C1=NN=C(N1C)SCC(=O)NC2=NN=C(S2)C3CC3)NC(=O)C4=CC=CC=C4F 1 2.286 7 2 0 -24.5842837664545 6497675 CCN1C(=NN=C1SCC(=O)NC2=NCCS2)CNC(=O)C3=CC=CC=C3Br 1 2.689 6 2 0 -27.9954871932905 6497674 CCN1C(=NN=C1SCC(=O)NC2=NN=CS2)CNC(=O)C3=CC=CC=C3Br 1 1.675 7 2 0 -24.4580566460754 6497673 CCN1C(=NN=C1SCC(=O)NC2=NN=CS2)CNC(=O)C3=CC=CC=C3F 1 1.132 7 2 0 -26.5691137582658 6497670 CN1C(=NN=C1SCC(=O)NC2=NN=CS2)CNC(=O)C3=CC=CC=C3F 1 0.784 7 2 0 -25.2963012153978 6497668 CN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C3CC3)CNC(=O)C4=CC=CC=C4F 1 1.802 7 2 0 -25.7750163933681 6497665 CCN1C(=NN=C1SCC(=O)NC2=NCCS2)C(C)NC(=O)C3=CC=CC=C3Br 1 3.174 6 2 0 -26.7185589560378 6497664 CCN1C(=NN=C1SCC(=O)NC2=NN=CS2)C(C)NC(=O)C3=CC=CC=C3Br 1 2.159 7 2 0 -23.1811284088226 6497657 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4CCCO4)C 1 2.128 3 5 0 -14.1682031448096 6497655 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCO4)C 1 2.626 2 4 -7.53968130388542 6497652 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4)C 1 2.644 2 4 -8.98498245745386 6497647 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C 1 2.436 3 4 0 -18.4277216391121 6497645 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC(=CS3)C)C 1 2.138 3 2 -6.36928831861251 6497644 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)C 1 2.343 4 4 0 -10.5009820617716 6497643 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)C 1 2.088 5 4 0 -11.4298579824351 6497642 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C 1 3.01 3 4 0 -9.14528714286349 6497627 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)Cl 1 3.155 3 3 -12.2051746652253 6497622 COCCSC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 1.977 4 3 0 -14.9450022039409 6497614 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)Cl 1 2.584 3 4 0 -17.0818785272341 6497604 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 2.035 4 4 0 -8.80067043572546 6497603 CCN1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 1.486 3 2 0 -8.0710943111628 6497602 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 1.78 5 4 0 -9.72954635638899 6497601 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4CC(=O)N(C4)C5=CC=C(C=C5)Cl 1 2.488 3 4 0 -6.39406942373056 6497599 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.325 2 4 -11.6904265656091 6497589 C1CC2=CC=CC=C2N(C1)C(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)Cl 1 3.287 2 2 -11.0631390287521 6497586 C1CCCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 2.553 2 2 -9.22147478258069 6497584 C1CCCC(CC1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 3.288 2 2 -8.05962982736368 6497572 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4CCCO4 1 2.098 3 5 0 -14.5293283451294 6497569 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4 1 2.614 2 4 -9.206269753552 6497561 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 2.313 4 4 0 -10.8621072620914 6497560 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 2.058 5 4 0 -11.7909831827549 6497559 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C 1 2.98 3 4 0 -9.36657443896163 6497554 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCCCCC3 1 2.831 2 2 -11.2829116089466 6497548 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC 1 2.209 3 6 0 -13.6621935153765 6497545 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NCCCOC(C)C 1 1.339 3 4 0 -21.8501160389537 6497544 CCCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)C 1 2.116 5 3 0 -15.7993215367477 6497541 CCOCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)C 1 1.078 5 4 0 -17.5564798982444 6497536 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=NN=C(S4)C(C)C 1 2.122 5 3 0 -15.3248496577051 6497535 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=NN=C(S4)C(C)(C)C 1 2.539 5 3 0 -12.7929943579258 6497532 CCCC(C)NC(=O)C1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)C 1 2.388 3 3 -17.9603593079408 6497531 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C 1 1.379 4 4 0 -11.8310850518743 6497528 CCOC1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)C 1 2.591 3 4 0 -12.328207968121 6497526 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)OC)OC 1 2.225 3 5 0 -10.6645528971999 6497524 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4OC 1 2.242 3 4 0 -11.534957219241 6497521 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)Br 1 3.007 3 3 -7.18245077663568 6497520 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)OC 1 2.906 3 4 0 -8.38443185963646 6497518 CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)C 1 2.591 3 4 0 -9.82035667597317 6497517 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)OC 1 2.242 3 4 0 -9.05413352426515 6497516 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)Br 1 3.007 3 3 -8.27582836963563 6497513 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)OC)OC 1 2.225 3 5 0 -12.5719207758668 6497512 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C)OC 1 2.728 3 4 0 -11.0458938440826 6497509 COC1=CC=CC=C1CC2=NN=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4 1 2.313 4 4 0 -10.4132662736672 6497506 CCC(C)(C)C1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 2.633 4 3 0 -7.2329942847593 6497457 CCOCCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 1.488 4 3 0 -16.8998481409342 6497458 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 1.679 3 4 0 -12.5994244235264 6497460 COC1=CC(=CC(=C1OC)OC)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 2.37 2 5 0 -11.3854600398656 6497462 CCC(C)(C)C1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 3.157 4 2 -11.3990467867361 6497464 CC(C)(C)NC(=O)C1CCN(CC1)C(=O)C2=CC=CO2 1 1.25 2 3 0 -10.818435317843 6497503 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4 1 2.249 3 5 0 -17.0300113846879 6497500 CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4 1 2.831 3 5 0 -12.7765405665234 6497496 CCCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 1.753 4 3 0 -9.35653555926011 6497494 CCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 1.297 4 3 0 -10.861323504334 6497492 CCC1=C(C(=CC=C1)CC)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 3.78 2 3 -4.29937299585942 6497491 CCC(CC)C1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 2.672 4 3 0 -9.39105074552669 6497489 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 2.057 3 5 0 -13.9171866524044 6497487 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4 1 1.93 3 5 0 -16.6243950134478 6497485 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4 1 2.182 3 5 0 -19.4157690752427 6497484 COCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 0.367 4 4 0 -9.53864325689346 6497483 CC(C)C1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 1.76 4 3 0 -8.88206368021747 6497479 CC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 0.63 4 3 0 -9.70956855847898 6497478 CC1=CC(=C(C(=C1)C)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3)C 1 3.354 2 3 -3.88893432666643 6497456 CC(C)OCCCNC(=O)C1CC(=O)N(C1)CCC2=CC=C(C=C2)F 1 1.501 2 3 0 -19.5733825634428 6497455 COCCSC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 1.846 4 3 0 -18.5664738351953 6497453 CCCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 2.277 4 2 -13.5225880612369 6497452 CCCC(C)C1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 3.196 4 2 -14.2209510938715 6497450 CCOCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 1.239 4 3 0 -15.2797464227335 6497449 CCC(C)(C)NC(=O)C1CC(=O)N(C1)CCC2=CC=C(C=C2)F 1 2.298 2 2 -13.8367292996882 6497447 CCC(CC)C1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 3.196 4 2 -13.5571032475035 6497446 COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)CCC4=CC=C(C=C4)F)OC 1 2.82 4 4 0 -19.595990978555 6497439 CC(C)C1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 2.284 4 2 -13.0481161821942 6497437 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 2.262 3 4 0 -16.1400366946417 6497436 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)CCC4=CC=C(C=C4)F 1 1.997 3 4 0 -20.3488816443204 6497435 CC(C)(C)C1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 2.7 4 2 -10.516260882415 6497432 C1C(CN(C1=O)CCC2=CC=C(C=C2)F)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.194 2 4 -15.7285981749703 6497431 CCC(CC)NC(=O)C1CC(=O)N(C1)CCC2=CC=C(C=C2)F 1 2.616 2 2 -12.4983384575478 6497428 CCCC(C)NC(=O)C1CC(=O)N(C1)CCC2=CC=C(C=C2)F 1 2.549 2 2 -15.68362583243 6497386 CC(C)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3CCCC3 1 2.905 2 2 -7.92829289017953 6497389 COCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3CCCC3 1 0.182 4 3 0 -15.6274484231093 6497393 CCC(CC)C1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3CCCC3 1 2.488 4 2 -15.4798559117425 6497425 CCC(C)NC(=O)C1CC(=O)N(C1)CCC2=CC=C(C=C2)F 1 2.093 2 2 -16.311954247581 6497421 C1C(CN(C1=O)CCC2=CC=C(C=C2)F)C(=O)NCCCCl 1 1.57 2 2 0 -16.2502467886252 6497419 COCCCNC(=O)C1CC(=O)N(C1)CCC2=CC=C(C=C2)F 1 0.774 2 3 0 -18.315174715254 6497408 COC1=CC(=C(C=C1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F)OC 1 2.387 2 4 -10.295187300356 6497407 C1CCC(CC1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 2.701 2 2 -11.6811014586181 6497405 CC(C)(C)NC(=O)C1CC(=O)N(C1)CCC2=CC=C(C=C2)F 1 1.774 2 2 0 -14.9844878198198 6497397 COCCSC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3CCCC3 1 1.138 4 3 0 -20.4892264994343 6497396 CCCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3CCCC3 1 1.569 4 2 0 -15.445340725476 6497395 CCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3CCCC3 1 1.113 4 2 0 -16.9501286705498 6497382 C1CCC(C1)N2CC(CC2=O)C(=O)NC3=CC(=CC(=C3)Cl)Cl 1 3.04 2 2 -7.28436738576791 6497375 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C(C)(C)C 1 1.594 3 4 0 -19.8175895936492 6497362 CC(C)(C)N1CC(CC1=O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.275 3 4 0 -19.3542295957225 6497355 CC(C)(C)N1CC(CC1=O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 -5.4e-002 3 4 0 -10.6857093106842 6497354 CC(C)(C)N1CC(CC1=O)C(=O)NC2=C(C(=CC=C2)Cl)Cl 1 2.569 2 2 -4.46442341166333 6497353 CC(=O)NC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C2)C(C)(C)C 1 0.361 3 3 0 -8.03265747599329 6497352 CCOC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C(C)(C)C 1 1.445 2 4 0 -11.9402536459696 6497334 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)COC)Cl 1 1.508 4 3 0 -11.7183978944475 6497329 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl 1 1.841 3 5 0 -20.6752350155154 6497312 CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4CCCO4 1 1.642 3 5 0 -13.41832681863 6497309 CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.14 2 4 -6.64996707348425 6497306 CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NN=C(S3)CC4=CC(=C(C=C4)OC)OC 1 2.773 4 4 0 -16.5082546690604 6497303 CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 2.406 3 4 0 -18.0323138271007 6497300 CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 1.95 3 4 0 -17.6778453129326 6497298 CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.177 3 5 0 -19.9904965485504 6497293 CC1CN(CC(O1)C)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3C 1 1.444 2 3 0 -14.3105746393562 6497291 CC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCC4=CC=CC=C43 1 2.653 2 2 -14.0917132107997 6497289 CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3CCCC3 1 2.197 2 2 -8.6555966130622 6497286 CC1CC2=CC=CC=C2N1C(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 2.544 2 2 -12.7192675202109 6497283 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 2.239 3 4 0 -19.6285404108898 6497279 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 1.156 3 5 0 -14.5511934044925 6497272 COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4)OC 1 2.287 4 4 0 -17.6411212549229 6497270 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 1.92 3 4 0 -19.1651804129631 6497269 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 2.172 3 4 0 -21.8866686663282 6497268 C1CCC(CC1)C2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 2.747 4 2 -9.07441235530604 6497263 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 1.116 5 4 0 -11.9102424686428 6497262 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 2.037 3 4 0 -9.38843949832478 6497235 C1CC(=O)N(C1)CCOC2=CC=C(C=C2)C(=O)O 1 1.097 1 4 0 -13.0192181233245 6497060 CC1CC2=C(O1)C=CC(=C2)C3=CSC(=N3)N 1 2.463 2 1 6.56024957887288 6496995 COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=O)C4=CC=CS4 1 3.047 3 3 -1.25241583291376 6496984 COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=O)C4=CC=CO4 1 2.489 3 4 0 0.281386189618127 6496964 COC1=CC(=C(C=C1)N2CCCC2)NC(=O)COC3=CC=CC=C3Cl 1 3.721 2 3 -5.07610692382755 6496962 COC1=CC(=C(C=C1)N2CCCC2)NC(=O)COC3=CC=CC=C3 1 3.056 2 3 -5.0748389049615 6496961 COC1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.635 3 5 0 -3.10732917629191 6496960 COC1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC=C(O3)Br 1 3.184 2 3 -4.56302211018908 6496957 COC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)OC)N3CCCCC3 1 3.496 2 4 -5.69538478296438 6496936 CC1=NC2=CC=CC=C2C(=C1C(=O)/C=C/C3=CC=CC=C3)N 1 3.424 2 1 2.0719048500227 6496922 C=CCNC1=NN=C(S1)SCC(=O)N2CCC(CC2)C(=O)N 1 8.e-002 5 2 0 -21.1368296179543 6496920 COC1=CC=CC=C1C2=NC(=NN2)SCC(=O)N3CCC(CC3)C(=O)N 1 1.301 5 3 0 -9.52337572472192 6496911 CC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)CCCOC 1 1.121 4 3 0 -8.80854559349741 6496908 CC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)C(C)C 1 1.916 4 2 0 -8.82754424754769 6496896 CCCN1CNC(=NC1)NS(=O)(=O)C2=CC=C(C=C2)C 1 2.062 4 2 -7.77549601558172 6496893 COC1=CC=C(C=C1)NC(=O)CC2C(=O)NC3CCCCC3N2C(=O)C4=CC=C(C=C4)F 1 2.762 3 4 0 -15.8714390327655 6496840 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C(=O)NC3=CC(=C(C=C3)O)C(=O)O 1 2.182 2 6 0 -4.63597052473388 6495975 CCN1C(=NN=C1SCC(=O)NC2CCCC2)CC(=O)NC3=CC=CC=C3C 1 3.006 5 2 0 -23.1413037094524 6495977 CCN1C(=NN=C1SCC(=O)NC2CCCC2)CC(=O)NC3=CC=CC=C3Cl 1 3.184 5 2 0 -20.575946662034 6495980 CCN1C(=NN=C1SCC(=O)NC2CCCC2)CC(=O)NC3=CC=C(C=C3)F 1 2.725 5 2 0 -19.8647339079949 6495973 CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3CCCC3)C 1 3.143 5 2 0 -19.5517132052322 6495970 CC1=CC(=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3CCCC3)C 1 3.143 5 2 0 -22.0661394875711 6495969 CN1C(=NN=C1SCC(=O)NC2CCCC2)CC(=O)NC3=CC=CC=C3OC 1 2.154 5 3 0 -22.8355131381473 6495967 CN1C(=NN=C1SCC(=O)NC2CCCC2)CC(=O)NC3=CC=C(C=C3)OC 1 2.154 5 3 0 -19.7167645997362 6495965 CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)NC3CCCC3 1 2.657 5 2 0 -21.8684911665843 6495963 CC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3CCCC3 1 2.657 5 2 0 -19.303798390592 6495962 CCN1C(=NN=C1SCC(=O)NC2CCCC2)CC(=O)NC3=CC=CC=C3F 1 2.725 5 2 0 -21.8314620804738 6495961 CN1C(=NN=C1SCC(=O)NC2CCCC2)CC(=O)NC3=CC=CC=C3F 1 2.376 5 2 0 -20.5586495376057 6495959 CN1C(=NN=C1SCC(=O)NC2CCCC2)CC(=O)NC3=CC(=CC=C3)OC 1 2.154 5 3 0 -19.3600592050485 6495956 CN1C(=NN=C1SCC(=O)NC2CCCC2)CNC(=O)C3=CC=C(C=C3)Cl 1 2.594 5 2 0 -21.2539413612542 6495955 CCN1C(=NN=C1SCC(=O)NC2CCCC2)CNC(=O)C3=CC(=CC=C3)C 1 2.765 5 2 0 -24.1709017204511 6495954 CC(C)C(C1=NN=C(N1C)SCC(=O)NC2CCCC2)NC(=O)C3=CC=CC=C3 1 3.257 5 2 0 -22.7324136092641 6495949 CC(C1=NN=C(N1C)SCC(=O)NC2CCCC2)NC(=O)C3=CC=C(C=C3)OC 1 2.397 5 3 0 -23.5648300627087 6495948 CCN1C(=NN=C1SCC(=O)NC2CCCC2)C(C)NC(=O)C3=CC=CC=C3F 1 2.968 5 2 0 -25.0338677993871 6495947 CC(C1=NN=C(N1C)SCC(=O)NC2CCCC2)NC(=O)C3=CC=CC=C3F 1 2.619 5 2 0 -23.8472508668582 6495946 CCN1C(=NN=C1SCC(=O)NC2CCCC2)C(C)NC(=O)C3=CC=CC=C3Br 1 3.511 5 2 0 -22.9228106871966 6495943 CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.02 4 4 0 -17.2855638842785 6495867 CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)F)C3=CC=CO3 1 3.309 4 2 -7.65762496551666 6495856 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=CC=CC=C4O3 1 2.76 5 3 0 -9.36281765326128 6495832 CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=CC=C3F 1 3.88 4 1 -15.4701236312215 6495650 CN1C(=NN=C1SCC(=O)NC2CCCCC2)CC(=O)NC3=CC=C(C=C3)F 1 2.833 5 2 0 -18.9463898792949 6495608 CN1C(=NN=C1SCC(=O)NC2CCCCC2)CC(=O)NC3=CC=CC=C3Cl 1 3.291 5 2 0 -19.657602633334 6495580 CN1C(=NN=C1SCC(=O)NC2CCCCC2)CC(=O)NC3=CC=CC=C3OC 1 2.611 5 3 0 -23.1899816523154 6495579 CC1CCCCC1NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3OC 1 2.93 5 3 0 -26.2243861599358 6495576 CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)CC(=O)NC3=CC=CC=C3OC 1 3.154 4 3 0 -15.2613774427665 6495571 CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3OC 1 2.949 4 3 0 -16.9373150327535 6495570 CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)F)CC(=O)NC3=CC=CC=C3OC 1 2.74 5 3 0 -17.9349911807192 6495565 CN1C(=NN=C1SCC(=O)NC2CCCCC2)CC(=O)NC3=CC=C(C=C3)OC 1 2.611 5 3 0 -20.0712331139043 6495564 CC1CCCCC1NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=C(C=C3)OC 1 2.93 5 3 0 -23.1056376215247 6495560 CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)OC 1 3.154 4 3 0 -12.1426289043553 6495557 CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)OC 1 2.949 4 3 0 -13.6501534973299 6495552 CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)NC3CCCCC3 1 3.113 5 2 0 -22.2229596807524 6495542 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(O3)C(=CC=C4)OC 1 2.743 5 4 0 -12.3145214592642 6495506 CC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.682 6 3 0 -16.010009173042 6495501 CCN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C)CC(=O)NC3=CC=CC=C3 1 1.429 7 2 0 -23.5935567898454 6495485 CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CC(=O)NC3=CC=CC=C3F 1 3.181 5 2 0 -22.1859305946419 6495476 CN1C(=NN=C1SCC(=O)NC2CCCCC2)CC(=O)NC3=CC=CC=C3F 1 2.833 5 2 0 -20.9131180517738 6495475 CC1CCCCC1NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3F 1 3.152 5 2 0 -23.9475225593942 6495471 CC(C(=O)NC1=NC=CS1)SC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3F 1 2.032 6 2 0 -15.0983719865231 6495469 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Br)CC(=O)NC3=CC=CC=C3F 1 3.299 5 2 0 -17.5206504160874 6495456 CN1C(=NN=C1SCC(=O)NC2CCCCC2)CC(=O)NC3=CC(=CC=C3)OC 1 2.611 5 3 0 -19.7145277192166 6495386 C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)CNC(=O)C3=CC=CO3 1 2.941 4 3 0 -18.4500361304975 6495382 CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)C3=CC=CO3 1 2.844 4 3 0 -15.4767976532254 6495380 CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)CNC(=O)C3=CC=CO3 1 2.673 4 3 0 -15.3663712291123 6495370 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)CNC(=O)C3=CC=CO3 1 2.512 5 3 0 -21.108184419576 6495369 CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)F)C)CNC(=O)C3=CC=CO3 1 2.54 5 3 0 -21.9419713593163 6495356 CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3F)CNC(=O)C4=CC=CO4 1 1.964 6 3 0 -16.6745846966559 6495354 CC(C(=O)NC1=NC=CS1)SC2=NN=C(N2C)CNC(=O)C3=CC=CO3 1 0.981 6 3 0 -16.5776657165809 6495341 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)CNC(=O)C3=CC=CO3 1 2.164 5 3 0 -19.8353718767079 6495340 CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CO3 1 2.191 5 3 0 -20.6691588164482 6495339 CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CO3 1 2.442 5 3 0 -21.9563378216579 6495338 CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)CNC(=O)C3=CC=CO3 1 1.483 5 4 0 -19.8922969625905 6495337 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)CNC(=O)C3=CC=CO3 1 1.483 5 4 0 -23.3677508956893 6495327 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)CNC(=O)C3=CC=CO3 1 2.164 5 3 0 -17.9166432310224 6495326 CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CO3)C 1 2.472 5 3 0 -20.1274059204393 6495325 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CO3)C 1 2.472 5 3 0 -19.9865567362494 6495324 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CO3 1 2.472 5 3 0 -21.5172836053043 6495323 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CO3)C 1 2.472 5 3 0 -22.5009830185883 6495322 CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CO3)C 1 2.472 5 3 0 -18.829776876228 6495321 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CO3 1 1.986 5 3 0 -19.7386419216093 6495320 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CO3 1 1.986 5 3 0 -17.9483905948049 6495319 CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CO3 1 1.986 5 3 0 -22.4007289241263 6495245 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=CC=CC=C3 1 1.99 7 2 0 -28.3298069709794 6495254 CCN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C)C(C)NC(=O)C3=CC=CC=C3 1 1.672 7 2 0 -28.3646689576532 6495276 CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)CNC(=O)C3=CC(=C(C=C3)OC)OC 1 2.896 4 4 0 -18.7985546127816 6495273 CCN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C)CNC(=O)C3=CC(=CC=C3)C 1 1.674 7 2 0 -27.5897389188353 6495227 CC(C1=NN=C(N1C)SCC(=O)NC2CCCCC2)NC(=O)C3=CC=CC=C3Br 1 3.618 5 2 0 -22.0906622688358 6495190 CC(C1=NN=C(N1C)SCC(=O)NC2CCCCC2)NC(=O)C3=CC=C(C=C3)OC 1 2.854 5 3 0 -23.9192985768768 6495182 CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C(C)NC(=O)C3=CC=CC=C3F 1 3.424 5 2 0 -25.3883363135552 6495181 CCN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C)C(C)NC(=O)C3=CC=CC=C3F 1 1.877 7 2 0 -28.2644084034375 6495177 CC(C1=NN=C(N1C)SCC(=O)NC2CCCCC2)NC(=O)C3=CC=CC=C3F 1 3.075 5 2 0 -24.2017193810263 6495176 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=CC=CC=C3F 1 2.195 7 2 0 -28.2295464167637 6495162 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3F 1 1.711 7 2 0 -29.4202790436772 6495160 CC(C(=O)NC1=NC=CS1)SC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3F 1 1.791 6 2 0 -18.7229467334411 6495124 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCN3CCOCC3)Cl 1 1.585 3 5 0 -23.1656268587512 6495121 CCN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OCC)Cl 1 2.27 3 4 0 -17.018383047485 6495119 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCOCC3)Cl 1 1.652 2 5 0 -19.9553592718856 6495118 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCC(CC3)C(=O)N)Cl 1 1.439 3 5 0 -18.5209729232569 6495117 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCC(CC3)C(=O)OCC)Cl 1 2.641 2 6 0 -21.3642498234073 6495109 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=NC=C3)Cl 1 2.191 3 4 0 -20.3532348618401 6495108 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CN=CC=C3)Cl 1 2.191 3 4 0 -22.3521198114734 6495107 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=N3)Cl 1 2.407 3 4 0 -22.0339840045119 6495106 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3CCCO3)Cl 1 2.117 2 5 0 -24.0159954332654 6495101 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CC3)Cl 1 2.248 2 4 -18.1227110844727 6495098 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NCCN3CCOCC3 1 -1.e-002 3 6 0 -23.1306901348984 6495096 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NCCCN3C=CN=C3 1 -3.2e-002 4 5 0 -21.4718115395253 6495092 CCN1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 0.676 3 5 0 -19.4725432680431 6495091 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NCC3=CC=CC=C3OC 1 1.731 2 6 0 -24.8628496346168 6495088 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 1.983 3 6 0 -16.6948694715505 6495083 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)N3CCOCC3 1 5.7e-002 2 6 0 -20.252771677075 6495081 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)N3CCC(CC3)C(=O)N 1 -0.156 3 6 0 -20.5143422230946 6495080 CCOC(=O)C1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 1.046 2 7 0 -23.7268220455667 6495079 CC1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 1.539 2 5 0 -23.3120333433654 6495076 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NC3=C(C=CC(=C3)Cl)OC 1 2.388 2 6 0 -18.6829783969829 6495072 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NC3=CC(=C(C=C3)OC)OC 1 1.708 2 7 0 -23.6319077580651 6495061 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.683 2 5 0 -14.4112512186239 6495060 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NC3=CC=CC=C3C(F)(F)F 1 2.683 2 5 0 -19.4987115705917 6495059 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NC3=CC(=C(C=C3)F)Cl 1 2.61 2 5 0 -16.8786009167983 6495058 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NC3=C(C=C(C=C3)Br)F 1 2.694 2 5 0 -17.1348902126172 6495056 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NC3=C(C=C(C=C3)F)F 1 2.151 2 5 0 -18.4669961700908 6495055 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NC3=CC=C(C=C3)F 1 1.946 2 5 0 -17.9253488785617 6495054 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NC3=CC(=CC=C3)F 1 1.946 2 5 0 -16.9860581426181 6495053 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NC3=CC=CC=C3F 1 1.946 2 5 0 -19.8920770510406 6495050 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NCC3=CC=CC=N3 1 0.812 3 5 0 -24.7863025803852 6495049 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NCC3CCCO3 1 0.523 2 6 0 -26.6385757899739 6495048 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NCC3=CC=CO3 1 0.929 2 6 0 -24.73503566148 6495047 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NCCC3=CC=C(C=C3)OC 1 2.052 2 6 0 -22.3319187355808 6495046 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)NCC3=CC=C(C=C3)OC 1 1.731 2 6 0 -22.9234722474465 6495041 CCCNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2)C 1 3.007 2 4 -15.6060437392438 6495040 CCCNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C 1 2.658 3 6 0 -9.92197657164664 6495036 CCCNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCCO3)C 1 2.505 2 6 0 -14.911439465412 6495007 CCCC(C)NC(=O)CN(C1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC=CC=C3 1 3.075 2 5 0 -22.1620050758307 6495005 C1CN(CCC1C(=O)N)C(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4 1 1.049 3 6 0 -16.9144787841869 6495004 CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4 1 2.251 2 7 0 -20.1980015552941 6494981 COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC4=C(C=C3)OCO4)OC 1 2.88 2 5 0 1.8322934636605 6494956 CC(C(=O)N(C)CC1=NC(=NO1)C2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC 1 2.697 3 5 0 -2.09908570111356 6494952 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C)C(=O)C(C)OC3=CC=C(C=C3)OC 1 3.2 3 4 0 -1.27276675889601 6494911 CC(C)N(CC1=NC(=NO1)C2=CC(=C(C=C2)OC)OC)C(=O)C3=CC4=C(C=C3)OCO4 1 2.872 3 6 0 -6.99028596688489 6494910 CN(CC1=NC(=NO1)C2=CC(=C(C=C2)OC)OC)C(=O)C3=CC4=C(C=C3)OCO4 1 2.146 3 6 0 -7.34519808641703 6494909 COC1=C(C=C(C=C1)C2=NOC(=N2)CNC(=O)C3=CC4=C(C=C3)OCO4)OC 1 1.94 3 6 0 -8.47173245797324 6494908 COC1=CC=C(C=C1)C2=NOC(=N2)CN(CC=C)C(=O)C3=CC4=C(C=C3)OCO4 1 2.779 3 5 0 -9.6683880505171 6494907 CCN(CC1=NC(=NO1)C2=CC=C(C=C2)OC)C(=O)C3=CC4=C(C=C3)OCO4 1 2.511 3 5 0 -6.12268623322583 6494906 CN(CC1=NC(=NO1)C2=CC=C(C=C2)OC)C(=O)C3=CC4=C(C=C3)OCO4 1 2.162 3 5 0 -3.72968846203592 6494899 CCN(CC1=NC(=NO1)C2=CC(=CC=C2)C)C(=O)C3=CC4=C(C=C3)OCO4 1 3.014 3 4 0 -2.74467688185766 6494898 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C)C(=O)C3=CC4=C(C=C3)OCO4 1 2.665 3 4 0 -0.351679110667749 6494897 C=CCN(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4 1 2.795 3 4 0 -9.72993825768816 6494715 CC1=C(C=CO1)C(=O)N(C)CC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC 1 1.627 3 5 0 -5.36297463618197 6494714 CC1=C(C=CO1)C(=O)NCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC 1 1.421 3 5 0 -5.52612735918253 6494713 CC1=C(C=CO1)C(=O)N(C)CC2=NC(=NO2)C3=CC=C(C=C3)OC 1 1.643 3 4 0 -1.8873029160225 6494712 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C)C(=O)C3=C(OC=C3)C 1 2.146 3 3 -1.66263330121216 6494711 CC1=C(C=CO1)C(=O)N(C)CC2=NC(=NO2)C3=CC=CC=C3 1 1.66 3 3 0 -1.94885312319356 6494571 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4CCCO4)C 1 2.128 3 5 0 -11.2090071964636 6494567 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4)C 1 2.644 2 4 -5.88594860488628 6494564 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C 1 2.892 3 4 0 -15.8229942049343 6494558 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C 1 1.663 3 5 0 -17.781176926384 6494557 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)C 1 2.343 4 4 0 -7.54178611342565 6494555 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C 1 3.01 3 4 0 -6.04625329029591 6494541 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CNC4=C3C=C(C=C4)OC 1 2.823 3 4 0 -15.3516392878638 6494539 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CNC4=C3C=C(C=C4)C 1 3.326 3 3 -14.1338920986851 6494538 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(=O)N4CCOCC4 1 1.32 3 5 0 -14.1458765083175 6494536 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC(=C(S3)C(=O)OCC)C 1 1.994 3 5 0 -12.9798315876068 6494533 CCOCCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OCC 1 1.286 4 4 0 -15.839318690162 6494532 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.124 3 5 0 -12.8636965497284 6494531 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCCOC 1 1.645 4 4 0 -17.8751473067448 6494530 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4CCCO4 1 1.488 3 6 0 -15.4690795702024 6494529 CCCC(C)C1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OCC 1 2.995 4 3 0 -13.3823682108489 6494528 CCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OCC 1 1.62 4 3 0 -14.1887931232882 6494526 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4 1 2.004 2 5 0 -10.1460209786251 6494524 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4 1 2.652 4 3 0 -13.8070869553042 6494523 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)CC4=CC(=C(C=C4)OC)OC 1 2.619 4 5 0 -18.4879644719978 6494520 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 2.252 3 5 0 -20.083066578673 6494517 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)C4CCCCC4 1 3.079 4 3 0 -9.99229852101597 6494514 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CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3CCCC3 1 2.044 2 3 -10.7063493646346 6494486 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CC=N3 1 1.29 3 3 0 -15.2011142732707 6494442 CC(C)C1=CC(=O)N=C(N1)SCC(=O)NC2=NC=C(S2)CC(=O)OC 1 1.626 4 4 0 -20.2919509389519 6494441 CCOC(=O)CC1=CN=C(S1)NC(=O)CSC2=NC(=O)C=C(N2)C(C)C 1 1.975 4 4 0 -21.073685283743 6494326 CCCC1=NN=C(O1)SCC(=O)NC2=CC=CC=C2F 1 2.513 3 2 -18.7559086527062 6494325 COC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3F 1 2.873 3 4 0 -19.1021234494597 6494320 CCCC1=NN=C(O1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC 1 2.512 3 4 0 -21.7051651110425 6494309 COC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3C#N 1 2.546 4 4 0 -20.3853081049524 6494295 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CC(=C(C=C3)OC)OC)C 1 3.823 3 4 0 -24.0866141201393 6494273 COC1=C(C=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)OC)OC 1 2.834 3 5 0 -23.7261872710462 6494270 CCCC1=NN=C(O1)SCC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 3.636 3 2 -15.6685379452495 6494237 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6493455 C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N3CCOCC3 1 0.571 4 4 0 -14.9449729356672 6493454 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 1.801 4 3 0 -12.9867902142175 6493442 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3C=CN=C3)O 1 1.56 2 4 0 -2.47455272233032 6493417 C1=CC=C2C(=C1)NC(=N2)CCCCC3=NC4=C(N3)C=C(C=C4)N 1 3.428 5 0 1.77865731737313 6493399 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)NC(=O)C 1 1.656 3 5 0 -15.5835210642769 6493395 CC(CCC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 3.349 2 4 -18.3704970494349 6493390 CCN(CC(=O)NCC1=CC=NC=C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.117 3 3 -15.9478661103266 6493388 CCN(CC(=O)NCC1=CC=CC=N1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.332 3 3 -17.6286152529983 6493385 CCN(CC(=O)NCC1=CC=CO1)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.104 2 5 0 -21.3923517042366 6493317 C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)NC3=NC=C(S3)[N+](=O)[O-] 1 1.107 4 4 0 -2.58905983195478 6493320 C1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 1.638 2 2 0 -10.3315964477023 6493325 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F 1 2.243 3 4 0 -8.4152592777173 6493343 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=CN=CC=C3)C 1 2.258 6 1 0 -24.9643644395951 6493333 C1CCC(CC1)C2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F 1 2.952 4 2 -8.10123213469855 6493328 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F 1 0.896 3 5 0 -20.1501829138054 6493316 C1CC2=CC=CC=C2N(C1)C(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F 1 2.828 2 2 -12.1732606938736 6493315 C1CSC(=O)C1NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 0.796 2 3 0 -14.5061396545276 6493312 CC1CC(CN(C1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F)C 1 2.276 2 2 -12.3022758045578 6493311 C1CCCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 2.094 2 2 -10.3315964477023 6493310 C1CN(C2=CC=CC=C21)C(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F 1 2.372 2 2 -13.7026310207819 6493309 C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=NC=C3 1 0.941 3 2 0 -4.2703742198176 6493306 C1CCC(C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 1.917 2 2 0 -8.81528297831717 6493294 CCOC(=O)C1=C(N=C(S1)NC(=O)COC2=CC3=C(C=C2)OCO3)C 1 1.993 2 6 0 -14.0201026483426 6493292 COCCSC1=NN=C(S1)NC(=O)COC2=CC3=C(C=C2)OCO3 1 1.644 3 5 0 -18.5462154451589 6493290 CCCC1=NN=C(S1)NC(=O)COC2=CC3=C(C=C2)OCO3 1 2.075 3 4 0 -13.5733726198355 6493289 CCCC(C)C1=NN=C(S1)NC(=O)COC2=CC3=C(C=C2)OCO3 1 2.994 3 4 0 -14.2717356524702 6493287 CCC1=NN=C(S1)NC(=O)COC2=CC3=C(C=C2)OCO3 1 1.619 3 4 0 -15.0781605649094 6493286 CCOCC1=NN=C(S1)NC(=O)COC2=CC3=C(C=C2)OCO3 1 1.038 3 5 0 -15.2594880326972 6493283 CCC(CC)C1=NN=C(S1)NC(=O)COC2=CC3=C(C=C2)OCO3 1 2.994 3 4 0 -13.6078878061021 6493282 C1OC2=C(O1)C=C(C=C2)OCC(=O)NC3=NN=C(S3)CC4=CC=CC=C4 1 2.651 3 4 0 -14.4781550937182 6493278 COCC1=NN=C(S1)NC(=O)COC2=CC3=C(C=C2)OCO3 1 0.689 3 5 0 -13.6844373688338 6493276 CC(C)C1=NN=C(S1)NC(=O)COC2=CC3=C(C=C2)OCO3 1 2.082 3 4 0 -13.0989007407929 6493274 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)COC3=CC4=C(C=C3)OCO4 1 2.635 3 5 0 -14.2215829692823 6493272 CC(C)(C)C1=NN=C(S1)NC(=O)COC2=CC3=C(C=C2)OCO3 1 2.499 3 4 0 -10.5670454410136 6493270 C1OC2=C(O1)C=C(C=C2)OCC(=O)NC3=CC=CC=C3C(=O)N 1 1.22 2 5 0 -10.253698028221 6493268 CCOC1=CC=CC=C1NC(=O)COC2=CC3=C(C=C2)OCO3 1 2.55 1 5 -10.9416529282148 6493267 CC(=O)NC1=CC(=CC=C1)NC(=O)COC2=CC3=C(C=C2)OCO3 1 1.338 2 5 0 -10.0542970924043 6493266 COC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC3=C(C=C2)OCO3 1 2.073 1 6 0 -9.91124880577064 6493264 CCOC1=CC=C(C=C1)NC(=O)COC2=CC3=C(C=C2)OCO3 1 2.55 1 5 -8.01219631246632 6493263 C1OC2=C(O1)C=C(C=C2)OCC(=O)NC3=CC(=CC=C3)F 1 2.423 1 4 -5.24594722762481 6493262 CCOC(=O)C1=C(N=C(S1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2)C 1 2.015 2 5 0 -20.0900395797275 6493261 CCC1=NN=C(S1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2 1 1.642 3 3 0 -21.0770545476592 6493260 CC(C)C1=NN=C(S1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2 1 2.104 3 3 -19.0977947235427 6493259 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 1.47 4 5 0 -17.7691221437969 6493258 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NN=CS2 1 0.714 3 3 0 -16.9530767193798 6493257 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC=C(S2)[N+](=O)[O-] 1 1.256 3 5 0 -11.1500883394361 6493241 CCOC(=O)C1=C(N=C(S1)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)C)C 1 2.254 2 5 0 -15.6787619983208 6493240 CCOCC1=NN=C(S1)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)C 1 1.298 3 4 0 -16.7298507883415 6493239 CCC(CC)C1=NN=C(S1)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)C 1 3.255 3 3 -15.0072076131115 6493237 CCOC(=O)C1=C(N=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC)C 1 1.645 3 5 0 -12.5828113582205 6493233 COCCSC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC 1 1.296 4 4 0 -17.0111942547624 6493226 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4 1 1.655 2 5 0 -9.37979782691705 6493224 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4 1 2.303 4 3 0 -13.0408638035961 6493222 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)C4CCCCC4 1 2.731 4 3 0 -9.22607536930794 6493217 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)OC 1 2.287 4 4 0 -13.0523678410341 6493216 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 1.447 3 5 0 -18.9623749127969 6493213 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.334 3 3 -6.61325080737799 6493210 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 1.808 3 5 0 -8.62903432346152 6493209 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C 1 2.021 3 5 0 -9.54010251232669 6493207 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC 1 2.478 3 4 0 -5.17989563105324 6493197 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3CCSC3=O 1 0.575 2 4 0 -15.630982889137 6493165 CCN(CC(=O)NCC1=CC=NC=C1)S(=O)(=O)C2=CC=C(C=C2)OCC 1 1.12 3 4 0 -20.310793328971 6493164 CCN(CC(=O)NCC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OCC 1 1.12 3 4 0 -22.3096782786043 6493142 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C 1 1.924 3 4 0 -9.9490347009675 6493112 CC(C)N1CC(CC1=O)C(=O)NC2=CC=CC=C2C(=O)NCC=C 1 0.86 3 3 0 -16.5811145652262 6493109 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(=O)NC4CC4 1 1.567 3 4 0 -12.4286770746558 6493108 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(=O)NC4CC4 1 1.916 3 4 0 -13.1949002263638 6493107 CC(C)OC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(=O)NC4CC4 1 2.294 3 4 0 -13.6298691546544 6493106 CC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C(C)C 1 0.97 3 3 0 -15.8463597465258 6493104 CCNC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C(C)C 1 0.592 3 3 0 -12.7266677376872 6493099 C1CC(OC1)CNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OCC(=O)NC4=CC=CC=C4 1 1.288 3 5 0 -20.4704652247457 6493094 CC1=CC(=C(C=C1)NC(=O)COC2=CC=C(C=C2)N3CC(CC3=O)C(=O)N)C 1 1.696 3 4 0 -13.9071183870936 6493091 CNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=C3 1 0.936 3 4 0 -17.4866938507733 6493087 CNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)OC 1 0.913 3 5 0 -13.2857986434269 6493076 CC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)N3CC(CC3=O)C(=O)NC 1 1.415 3 4 0 -15.2922486390755 6493070 CCOC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NCC2=CC3=C(C=C2)OCO3 1 1.969 2 6 0 -17.2889504355474 6493069 CCOC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NCC2=CC=NC=C2 1 1.05 3 4 0 -16.1177009490984 6493068 CCOC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NCC2=CN=CC=C2 1 1.05 3 4 0 -18.1165858987316 6493067 CCOC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NCC2=CC=CC=N2 1 1.265 3 4 0 -17.7984500917701 6493065 C1COCCN1CCNC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl 1 0.168 3 6 0 -24.8409246830526 6493063 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCCCN3C=CN=C3)Cl 1 0.146 4 5 0 -23.1820460876794 6493062 CCN1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl 1 0.854 3 5 0 -21.1827778161973 6493061 C1COCCN1C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl 1 0.236 2 6 0 -21.9630062252291 6493060 C1CCN(C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.009 2 5 0 -21.9786897734471 6493055 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC=CC=N3)Cl 1 0.99 3 5 0 -26.4965371285394 6493054 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC=CO3)Cl 1 1.107 2 6 0 -26.4452702096341 6493052 C1CC1NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl 1 0.832 2 5 0 -23.5179663311931 6493049 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2)C(=O)N3CCCC3 1 1.535 3 3 0 -12.1404351564323 6493039 CC(C)NC(=O)C(C)OC1=CC=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 2.346 2 6 0 -15.1511885254289 6492946 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3)OC 1 2.428 3 4 0 -13.6977472103041 6492942 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3 1 1.942 3 4 0 -14.5056832942614 6492939 COC1=C(C=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32)Cl 1 1.977 2 4 0 -16.980730205104 6492933 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)N(CC=C)S(=O)(=O)C)N(C1=O)C 1 1.623 4 4 0 -24.127892550834 6492932 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3 1 1.079 4 4 0 -17.923467872478 6492830 CC1=CC(=O)N=C(N1)SCC(=O)NC2=NON=C2C 1 0.23 5 3 0 -23.0028386200021 6492829 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=NON=C2C 1 1.21 5 3 0 -20.2596463654604 6492827 CC1=NON=C1NC(=O)CSC2=NN=NN2C3=CC=CC=C3 1 1.062 7 2 0 -24.7572396376563 6492825 CC1=NON=C1NC(=O)CSC2=NN=C(S2)N 1 -9.7e-002 6 2 0 -17.1712468193839 6492823 CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 2.678 3 4 0 -20.986109407826 6492822 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 1.761 4 4 0 -15.3372638792427 6492821 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 2.263 4 3 0 -14.6193836939475 6492819 C1=CC(=C(C=C1NC(=O)CSC2=NNN=C2)C(=O)O)O 1 0.729 4 4 0 -7.51816409877136 6492818 C1=CC=C(C(=C1)C(=O)O)NC(=O)CSC2=NNN=C2 1 0.971 4 3 0 -12.1906259280432 6492817 C1=CC(=CC(=C1)NC(=O)CSC2=NNN=C2)C(=O)O 1 0.971 4 3 0 -10.5852160887277 6492816 CC1=NON=C1NC(=O)CSC2=NNN=C2 1 -3.3e-002 6 2 0 -12.9443324551849 6492814 C1=CC=C(C(=C1)C(=O)N)NC(=O)CSC2=NNN=C2 1 0.343 5 2 0 -12.0360767065136 6492808 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NNN=C3 1 2.299 5 2 0 -9.28300765896221 6492799 CSC1=NSC(=N1)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O 1 3.235 3 3 -13.054940261456 6492792 COC1=CC(=C(C=C1)NC(=O)CSC2=NC(=NS2)SC)OC 1 2.908 3 3 -14.6679002594008 6492738 CN1C(=NN=C1SCC(=O)NCC2CCCO2)COC3=C(C=C(C=C3)Cl)Cl 1 2.991 4 3 0 -20.4640562383466 6492741 CC1=CC(=C(C(=O)N1CC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl)C#N)COC 1 1.149 4 4 0 -9.42949844421108 6492770 CC(COC)NC(=O)C(C)N1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 1.392 2 4 0 -9.9764437571896 6492575 CC1=CC(=CC=C1)OCC2=CC=C(O2)C(=O)NC3=NOC(=C3)C 1 3.279 2 4 -12.6098526106867 6492572 CCC1=NN=C(S1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Cl 1 3.721 3 3 -13.3800057796973 6492571 CCC1=NN=C(S1)NC(=O)C2=CC=C(O2)COC3=CC=CC(=C3)C 1 3.542 3 3 -11.6728723709244 6492546 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Cl 1 3.056 3 4 0 -7.57230516812873 6492545 CC1=CC(=CC=C1)OCC2=CC=C(O2)C(=O)NC3=NC(=NS3)CC(=O)C 1 2.877 3 4 0 -5.86517175935586 6492544 CC1=CC=CC=C1OCC2=CC=C(O2)C(=O)NC3=NC(=NS3)CC(=O)C 1 2.877 3 4 0 -6.9153109143968 6492407 CC1=C(C=CC(=C1)S(=O)(=O)NC(C)C(=O)NCC2=CN=CC=C2)OC 1 1.187 3 4 0 -16.5424266630663 6492405 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC(C)C(=O)NC2=CC3=C(C=C2)OCO3 1 2.099 2 6 0 -16.42658052523 6492402 CCN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.241 3 5 0 -20.1767772075644 6492400 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCOCC3)OC 1 0.622 2 6 0 -22.8954541287578 6492395 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CN=CC=C3)OC 1 1.162 3 5 0 -25.2922146683457 6492393 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3CCCO3)OC 1 1.088 2 6 0 -26.9560902901376 6492392 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CO3)OC 1 1.494 2 6 0 -24.9228119424789 6492389 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)N3CCC(CC3)C(=O)N 1 0.409 3 6 0 -16.1347800046494 6492387 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=NC=C3 1 1.162 3 5 0 -17.9670419432327 6492386 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=N3 1 1.377 3 5 0 -19.6477910859044 6492380 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2)NC(=O)C3=CC=C(C=C3)Cl 1 2.606 3 4 0 -7.79255884221435 6492379 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2)NC(=O)C3=CC=C(C=C3)Cl 1 2.606 3 4 0 -9.79144379184762 6492378 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2)NC(=O)C3=CC=C(C=C3)Cl 1 2.821 3 4 0 -10.1927613987575 6492377 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CC1=CC2=C(S1)N=C(N(C2=O)C)SCC(=O)NC3=CC(=CC=C3)F 1 3.01 3 2 -14.0580612790244 6491498 CCOC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.347 2 5 0 -5.02192548038055 6491488 COC1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=CC=C3 1 3.072 4 1 1.11666654708095 6491438 CC1=CC(=C(C=C1OC)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)OC 1 2.546 1 6 0 -3.11923170488717 6491434 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NNC(=N2)C3=CC=CC=N3 1 3.464 5 1 -8.35980005115841 6491422 CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl)N(C1=O)C 1 2.389 3 3 -10.2296341599327 6491421 CN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)OC)OC)N(C1=O)C 1 1.856 3 4 0 -14.6533926482869 6491403 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3Cl 1 1.919 2 5 0 -20.6621127188808 6491402 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCCC3=CC=CC=C3 1 1.582 2 5 0 -24.8303614661313 6491397 CC1=NNC(=NC1=O)SC(C)C(=O)NC2=C(C3=C(S2)CCCC3)C#N 1 2.721 5 2 0 -27.8529302623324 6491396 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NC(=O)C(=NN3)C 1 3.046 4 4 0 -25.2694426703165 6491379 CC(C(=O)NC1=NC2=C(S1)CCCC2)SC3=NC(=O)C=C(N3)N 1 1.742 5 2 0 -14.7677183560799 6491358 CC1CCCN(C1)C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)S(=O)(=O)C 1 1.533 5 3 0 -13.5806027771217 6491357 CCN(CC)C(=O)CN1N=C(N=N1)C2=CC=C(C=C2)S(=O)(=O)C 1 0.994 5 3 0 -13.7533906965936 6491356 CS(=O)(=O)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N 1 -0.115 5 3 0 -7.87920382038284 6491293 CC1=C(C=C(C=C1)Cl)N2C(=NN=N2)SCC(=O)NC3=NOC(=C3)C 1 2.726 6 2 0 -27.9428796190423 6491292 CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NOC(=C3)C)Cl 1 2.726 6 2 0 -29.3315918447406 6491290 CC1=CC(=NO1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(C)C 1 2.769 6 2 0 -28.8013977542433 6491250 C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)O 1 2.974 5 3 0 -20.7188311839017 6491188 COC1=C(C=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)OCC(=O)N4CCOCC4 1 2.156 1 6 0 -14.1103903035556 6491093 COC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)OC 1 3.155 2 5 0 -14.7188107892917 6491079 CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.074 4 5 0 -8.55892095483128 6491060 COC1=C(C=CC(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])NC(=O)C3=CC=CS3 1 2.75 3 6 0 -12.2085540925443 6491026 CCOC(=O)C(CC(=O)NC1=NC(=C(S1)C)C(=O)C)C(C)C2=CC=CC=C2 1 2.883 2 4 -14.2195744651542 6491002 CC1=CC=C(C=C1)C2=NN=C(S2)NC3CCCC3 1 3.453 3 0 -2.02111849886334 6490954 CC1=CC(=CC(=C1)OCCN2C3=CC=CC=C3N=N2)C 1 4.245 3 1 -6.50420943648724 6490952 CC1=CC(=C(C=C1)C)OCCN2C3=CC=CC=C3N=N2 1 4.245 3 1 -5.33195474305458 6490921 C1=CC=C(C(=C1)OCC(=O)NCCNC(=O)C2=CC=CO2)Cl 1 1.789 2 4 0 -11.6982380708524 6490920 C1=CC=C(C(=C1)OCC(=O)NCCCNC(=O)C2=CC=CO2)Cl 1 1.852 2 4 0 -12.850477898659 6490919 CC1=C(C=C(C=C1)OCC(=O)NCCNC(=O)C2=CC=CO2)C 1 2.097 2 4 -11.2066188353052 6490918 CC1=C(C=C(C=C1)OCC(=O)NCCCNC(=O)C2=CN=CC=C2)C 1 1.614 3 3 0 -14.5252570482361 6490917 CC1=C(C=C(C=C1)OCC(=O)NCCCNC(=O)C2=CC=CC=N2)C 1 2.042 3 3 -15.0295501840295 6490916 CC1=C(C=C(C=C1)OCC(=O)NCCCNC(=O)C2=CC=CO2)C 1 2.16 2 4 -12.3588586631118 6490915 CC1=CC=C(C=C1)OCC(=O)NCCNC(=O)C2=CC=CO2 1 1.611 2 4 0 -11.0207068501395 6490914 CC1=CC=C(C=C1)OCC(=O)NCCCNC(=O)C2=CC=CO2 1 1.673 2 4 0 -12.172946677946 6490913 CC1=CC(=CC=C1)OCC(=O)NCCNC(=O)C2=CC=CO2 1 1.611 2 4 0 -10.0262582875255 6490912 CC1=CC(=CC=C1)OCC(=O)NCCCNC(=O)C2=CC=CO2 1 1.673 2 4 0 -11.178498115332 6490910 CC1=CC=CC=C1OCC(=O)NCCCNC(=O)C2=CC=CO2 1 1.673 2 4 0 -12.193483644927 6490908 COC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=CC=CO2)OC 1 1.319 2 5 0 -14.2258047459572 6490907 CC(C)OC1=CC=C(C=C1)C(=O)NCCNC(=O)C2=CC=CO2 1 1.999 2 4 0 -9.71675285768705 6490905 CCCOC1=CC=CC(=C1)C(=O)NCCNC(=O)C2=CC=CO2 1 2.146 2 4 -9.80490084013329 6490904 COC1=CC=CC(=C1)C(=O)NCCCNC(=O)C2=CC=CO2 1 1.336 2 4 0 -10.3130267822807 6490902 C1=COC(=C1)C(=O)NCCNC(=O)C2=CC(=C(C=C2)Cl)Cl 1 2.618 2 3 -6.82733015994932 6490901 C1=COC(=C1)C(=O)NCCCNC(=O)C2=CC(=C(C=C2)Cl)Cl 1 2.681 2 3 -7.97956998775584 6490900 C1=COC(=C1)C(=O)NCCNC(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.618 2 3 -6.24516747361664 6490899 C1=COC(=C1)C(=O)NCCCNC(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.681 2 3 -7.39740730142315 6490898 C1=COC(=C1)C(=O)NCCNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.618 2 3 -4.52632903935266 6490897 C1=COC(=C1)C(=O)NCCCNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.681 2 3 -5.67856886715917 6490896 C1=COC(=C1)C(=O)NCCCNC(=O)C2=CC=C(C=C2)Cl 1 2.016 2 3 -7.43283570576395 6490895 C1=COC(=C1)C(=O)NCCCNC(=O)C2=CC=C(C=C2)F 1 1.557 2 3 0 -8.54295737088552 6490894 C1=CC(=CC(=C1)F)C(=O)NCCCNC(=O)C2=CC=CO2 1 1.557 2 3 0 -8.5276955095862 6490892 C1=CC=C(C(=C1)C(=O)NCCCNC(=O)C2=CC=CO2)F 1 1.557 2 3 0 -11.3142720648063 6490891 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCNC(=O)C2=CC=CO2 1 2.69 2 3 -5.52446041943295 6490889 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCNC(=O)C2=CN=CC=C2 1 2.207 3 2 -7.74868924427206 6490888 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCNC(=O)C2=CC=CC=N2 1 2.635 3 2 -9.34739176815717 6490887 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCNC(=O)C2=CC=CO2 1 2.752 2 3 -6.67670024723946 6490884 CC1=C(C=C(C=C1)C(=O)NCCNC(=O)C2=CC=CO2)C 1 2.262 2 3 -8.02588246691071 6490883 CC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=CC=CO2)C 1 2.324 2 3 -9.17812229471722 6490882 CC1=CC=C(C=C1)C(=O)NCCCNC(=O)C2=CC=CO2 1 1.838 2 3 0 -9.25483439635077 6490881 CC1=CC=CC(=C1)C(=O)NCCNC(=O)C2=CC=CO2 1 1.776 2 3 0 -8.02213792081105 6490880 CC1=CC=CC(=C1)C(=O)NCCCNC(=O)C2=CC=CO2 1 1.838 2 3 0 -9.17437774861756 6490879 CC1=CC=CC=C1C(=O)NCCNC(=O)C2=CC=CO2 1 1.776 2 3 0 -11.3591843266407 6490878 CC1=CC=CC=C1C(=O)NCCCNC(=O)C2=CC=CO2 1 1.838 2 3 0 -12.5114241544472 6490716 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCC3)OC 1 2.131 2 5 0 -20.6032999490426 6490706 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.516 3 5 0 -20.3924095003164 6490705 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.603 2 7 0 -21.7341749654773 6490704 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.614 2 7 0 -23.2998122024169 6490703 CC(C(=O)NC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.596 2 7 0 -21.8545110488484 6490702 CC(C(=O)NCC1=CC=NC=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 0.685 3 5 0 -20.4230875748066 6490701 CC(C(=O)NCC1=CN=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 0.685 3 5 0 -22.4219725244398 6490700 CC(C(=O)NCC1=CC=CC=N1)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 0.9 3 5 0 -22.1038367174783 6490699 CC(C(=O)NCC1CCCO1)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 0.611 2 6 0 -24.4781673084996 6490698 CC(C(=O)NCC1=CC=CO1)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 1.017 2 6 0 -22.0525697985731 6490668 CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)OC)OC 1 3.245 2 3 -3.97166268920607 6490617 CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3CCCCC3 1 2.307 3 3 -19.3584487568033 6490615 CCOC(=O)C1=C(N=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)C)C 1 2.147 3 4 0 -12.4291846920453 6490609 CCOC(=O)C1=C(N=C(S1)NC(=O)CC2=CC=CC=C2OC)C 1 2.408 2 4 -14.4327274041953 6490502 CC(C)(C)OC(=O)CN1C(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)/SC1=O 1 3.621 1 7 0 -5.24936539474107 6490447 C1CN(CCN1C2=CC=CC=N2)C(=O)NC3=CNC4=C(C3=O)C=CC=C4Cl 1 1.921 5 2 0 -4.79621098380158 6490297 CC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC(=O)N3CCCC3)N4CCOCC4 1 2.21 3 4 0 -7.90941080835295 6490296 C1CCN(C1)C(=O)CN2C(=O)/C(=C\C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/SC2=O 1 2.672 3 5 0 -8.03402102231843 6490291 C1CCN(C1)C(=O)CN2C(=O)/C(=C\C3=CC=CN3C4=CC=C(C=C4)C(=O)O)/SC2=O 1 2.672 3 5 0 -8.02693271106662 6490290 C1CCN(C1)C(=O)CN2C(=O)/C(=C\C3=CC=CN3C4=CC=C(C=C4)O)/SC2=O 1 2.8 3 4 0 -4.1817308831874 6490288 CN1C=CC=C1/C=C/2\C(=O)N(C(=O)S2)CC(=O)N3CCCC3 1 1.465 3 3 0 -10.956600672557 6490284 CC1=CC(=C(N1CCOC)C)/C=C/2\C(=O)N(C(=O)S2)CC(=O)N3CCCC3 1 1.334 3 4 0 -17.0248889283318 6490283 CCN1C(=CC(=C1C)/C=C/2\C(=O)N(C(=O)S2)CC(=O)N3CCCC3)C 1 1.814 3 3 0 -11.1370987484222 6490274 CC1=CC(=C(N1C)C)/C=C/2\C(=O)N(C(=O)S2)CC(=O)N3CCCC3 1 1.465 3 3 0 -9.53209710599785 6490208 COC(=O)CN1C(=O)/C(=C\C2=CC=C(C=C2)OCC(=O)OC)/NC1=O 1 0.34 2 7 0 -11.8956509120794 6490172 C1=CC(=CC(=C1)N)C(=O)NC2=CC=CC3=C2C=CC=N3 1 2.054 3 1 -6.54900882865749 6490171 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C3=CC=C(C=C3)N 1 2.054 3 1 -5.10988600459082 6490168 C1=CC=C(C=C1)OCC2=NC3=C(N2)C=C(C=C3)N 1 2.359 3 1 3.03455832983272 6490167 C1=CC=C(C=C1)OCC2=NC3=C(N2)C=C(C=C3)Cl 1 3.77 2 1 3.61795584933163 6490117 CC(C)OC(=O)CN1C(=O)OC(=N1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.69 2 4 -11.0720593271943 6490080 CC(=O)NC(CC1=CC(=C(C=C1)F)F)C(=O)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 2.583 3 3 -12.5572938000046 6490066 CC1=CC=CC(=C1)C(=O)N2CCC(CC2)NC(=O)C(CC3=C(C=CC(=C3)OC)OC)NC(=O)C 1 1.961 3 5 0 -16.7417459261022 6490065 CCS(=O)(=O)N1CCC(CC1)NC(=O)C(CC2=C(C=CC(=C2)OC)OC)NC(=O)C 1 -5.e-002 3 6 0 -28.39986513802 6490058 CC(=O)NC(CC1=C(C(=CC=C1)OC)OC)C(=O)NC2CCN(CC2)C(=O)C3=CC=NC=C3 1 0.324 4 5 0 -18.3027989206851 6490056 CC(=O)NC(CC1=C(C(=CC=C1)OC)OC)C(=O)NC2CCN(CC2)C(=O)C3CCCCC3 1 1.937 3 5 0 -17.9522423915178 6490054 CCS(=O)(=O)N1CCC(CC1)NC(=O)C(CC2=C(C(=CC=C2)OC)OC)NC(=O)C 1 -5.e-002 3 6 0 -28.7802655894419 6490035 CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC(C)C)C)[N+](=O)[O-] 1 2.96 3 4 0 -6.30904225976883 6489835 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CO2)C3=CC=C(C=C3)F 1 2.537 2 5 0 -18.1683999371559 6489831 CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3=CC=C(C=C3)F 1 2.554 3 4 0 -19.3040258147306 6489828 C1=CC2=C(C=C1NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-])NC(=O)N2 1 1.154 5 4 0 -20.3682324255093 6489823 CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-])N(C1=O)CC 1 2.263 5 4 0 -15.2370328240021 6489811 COC1=CC(=CC(=C1OC)OC)CNC2=NC3=CC=CC=C3S2 1 3.326 2 3 -0.909221753337421 6489804 C1COCCN1CC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl 1 1.934 3 2 0 -2.34219832572787 6489739 COC1=C(C=C(C=C1)C2=C(N=CO2)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)N5CCOCC5)OC 1 2.417 4 6 0 -9.95494520163951 6489734 COC1=CC=C(C=C1)C2=C(N=CO2)C(=O)N3CCN(CC3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5 1 3.773 3 4 0 -12.2719731445024 6489730 COC1=CC=C(C=C1)C2=C(N=CO2)C(=O)NC3=CC4=C(CCC4)C=C3 1 3.79 2 3 -8.34780047256254 6489688 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(OC=N3)C4=CC=CC=C4 1 1.084 4 5 0 -23.4479431614995 6489723 COC1=CC=CC(=C1)C2=C(N=CO2)C(=O)NC3=CC4=C(CCC4)C=C3 1 3.79 2 3 -7.36630049925624 6489717 COC1=CC=CC=C1C2=C(N=CO2)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)N5CCOCC5 1 2.433 4 5 0 -8.29954168521135 6489715 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(OC=N3)C4=CC=CC=C4OC 1 1.067 4 6 0 -26.1654943411939 6489713 C1COCCN1C2=CC(=C(C=C2)NC(=O)C3=C(OC=N3)C4=CC(=CC=C4)F)N5CCOCC5 1 2.655 4 4 0 -2.86922851228324 6489709 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(OC=N3)C4=CC(=CC=C4)F 1 1.289 4 5 0 -20.5953432640442 6489704 C1COCCN1C2=CC(=C(C=C2)NC(=O)C3=C(OC=N3)C4=CC=CC=C4F)N5CCOCC5 1 2.655 4 4 0 -6.88733859047133 6489703 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(OC=N3)C4=CC=CC=C4F 1 2.639 3 5 0 -18.9301668034642 6489702 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=C(OC=N3)C4=CC=CC=C4F 1 4.012 2 2 -9.71469876468799 6489701 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(OC=N3)C4=CC=CC=C4F 1 1.289 4 5 0 -24.7532912464539 6489670 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(OC=N3)C4=CC=C(C=C4)F 1 1.289 4 5 0 -22.2615497197191 6489665 C1CN(CCC1CNS(=O)(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.112 3 5 0 -14.3993609058246 6489664 CC1=CC=C(C=C1)S(=O)(=O)NCC2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.393 3 5 0 -15.1112379312898 6489663 C1CN(CCC1CNS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.906 3 5 0 -16.5350461647746 6489658 CCOC1=CC=C(C=C1)C(=O)NCC2CCN(CC2)CC3CCCCC3 1 4.248 2 2 -5.71752781915469 6489653 COC1=CC=C(C=C1)CN2CCC(CC2)CNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.939 2 3 1.215436894199 6489634 CC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)N(C(=O)N3)CCOC 1 0.287 5 3 0 -17.8154882619265 6489623 C1=CC(=CC=C1CN2C3=C(C=C(C=C3)C(=O)NC4=C(C=C(C=C4)F)F)NC2=O)F 1 3.883 3 2 -7.11371601791253 6489585 CN1C(=NN=C1SC)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.167 4 2 -9.19176659675218 6489584 CN1C(=NN=C1SCC2=CN=CC=C2)CCNS(=O)(=O)C3=CC=C(C=C3)F 1 2.057 5 2 0 -14.5130165258065 6489583 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=NN=C(N2C)SCC3=CN=CC=C3 1 2.338 5 2 0 -15.2248935512717 6489541 CCCC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=C(N2C)SC 1 2.569 4 2 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CC(C)OC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.23 2 4 -5.96789665712824 6473679 COC1=CC2=C(C=C1)N(C=C2)S(=O)(=O)C3=CC=CC=C3 1 3.464 1 3 -3.31663469905044 6473678 CC1(CC(CC(N1)(C)C)NS(=O)(=O)C2=CC=CC3=CC=CC=C32)C 1 2.389 2 2 -12.4052325295301 6473673 CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCOCC3 1 1.062 2 4 0 -16.6148908475836 6473670 CCSC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C 1 2.779 3 2 -16.484303232778 6473669 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCCCC3 1 2.635 2 4 -21.4762901553781 6473623 CC1=C(C(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)OC)N3CCOCC3)C 1 3.255 2 4 -4.64949521401394 6473615 CCC(C(=O)N1CC(=O)NC2=CC=CC=C21)OC3=CC=CC=C3OC 1 2.453 2 4 -16.4779090789263 6473612 CCOC(=O)N1CCN(CC1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)OC 1 1.774 4 4 0 -6.06754328690106 6473549 CC1=C(C=CO1)C(=O)N(C)CC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 2.324 3 3 0.347661983708457 6473547 CC1=C(N=CC=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl 1 2.001 3 3 -3.36948426676721 6473527 CC(C(=O)N1CC(=O)NC2=CC=CC=C21)OC3=CC=CC=C3OC 1 1.93 2 4 0 -17.1138811545219 6473518 CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3)C 1 3.359 1 4 -5.2010869196641 6473517 CC(C(=O)N1CCCCC1)NC(=O)C2=CC=CO2 1 1.1 2 3 0 -11.5594210914612 6473515 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=N2)C(=O)NC3=CC=CC=C3 1 2.474 3 4 0 -9.5832507764036 6473513 CCN(CC(=O)NC1CC1)S(=O)(=O)C2=CC=C(C=C2)OCC 1 1.177 2 4 0 -19.0565455816515 6473490 C1=CC=C(C(=C1)C(=O)NCCNC2=C3C=CC(=CC3=NC=C2)Cl)F 1 3.551 3 1 -8.67694770388732 6473461 CC1CN(CC(O1)C)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCC3 1 1.704 2 5 0 -24.0189100945234 6473445 COC1=CC(=O)NC(=N1)SCC(=O)NC2=CC3=CC=CC=C3C=C2 1 2.664 3 3 -13.8106242090171 6473441 CCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC=CC=C3)C 1 2.5 4 1 -7.20548043921716 6473435 CC1=C(C=CC=C1Cl)C2=CC=C(O2)CNCC3=CC=CC=N3.Cl Cl- 1 4.157 2 1 7.53134694906164 6473420 CCCCS(=O)(=O)N1CCCC(C1)C(=O)NCC2CCCO2 1 0.873 2 4 0 -24.6250639240654 6473415 CC1=CC(=NO1)NC(=O)CSC2=NC(=C(N2)C)CC3=CC=CC=C3 1 2.703 4 2 -15.9036725950614 6473403 CCC(C(=O)NC1CCCC1)OC2=CC=C(C=C2)Cl 1 3.947 1 2 -7.46900404506892 6473397 COC1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CN=CC=C3 1 1.297 3 3 0 -8.08237997100304 6473394 CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=CO3 1 1.812 3 3 0 -7.64814098470859 6473379 CC1(CC(CC(N1)(C)C)NS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)OC)C 1 2.373 2 3 -10.5371917128721 6473372 CN(C)C(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC 1 2.796 4 2 0.892841634393399 6473367 CN(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)COC3=CC=CC(=C3)OC 1 2.229 3 4 0 -6.04944416389642 6473361 CC1=NC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.539 3 3 -9.04058286203449 6473317 CCOC1=C(C=CC(=C1)S(=O)(=O)NCCCN2CCOCC2)F 1 1.167 2 4 0 -9.63358960078875 6473310 CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(CCC3)C=C2 1 2.032 2 3 -17.1684320853779 6473305 CCCCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)Cl 1 3.267 1 4 -15.7021812592057 6473278 CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C)C 1 2.595 1 4 -18.6064928959147 6473265 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCCCCC3 1 1.908 2 4 0 -22.2103374876826 6473261 CCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C 1 2.484 4 2 -7.35714345321907 6473240 CC(=O)NC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 1.54 3 3 0 -9.38177803875922 6473228 CC1=CC=C(C=C1)C2=NOC(=N2)CNC(=O)C3=C(OC=C3)C 1 1.94 3 3 0 -1.82578602421272 6473223 CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)N)C3=CC=CC=C3 1 2.887 4 1 3.21596062378134 6473222 CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3 1 1.934 2 4 0 -18.5875676583766 6473218 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCCN3CCOCC3 1 0.928 3 4 0 -23.5236194848698 6473196 CCCCS(=O)(=O)N1CCCC(C1)C(=O)NCCC2=CC=CC=C2 1 2.419 2 3 -21.4349331653244 6473184 COC1=CC=CC2=C1OC(=C2)C(=O)NCCC3=CC=CC=C3 1 3.521 1 3 -4.91964799379933 6473162 CC1(C2(CCC1(OC2=O)C(=O)OC3CCCCC3)C)C 1 3.457 0 4 -8.70171098994805 6473156 CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CCCO3 1 1.527 2 4 0 -20.5667458181705 6473154 CCCS(=O)(=O)N1CCCC(C1)C(=O)OC2=CC=C(C=C2)OC 1 2.265 1 5 -22.2692019602939 6473138 CC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C 1 2.708 4 1 -3.34408196404701 6473128 COC1=C(C=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32)F 1 1.519 2 4 0 -16.6205497104593 6473116 CC1=C(SC=C1)CNCCC2=CC=C(C=C2)OC.Cl Cl- 1 3.482 1 1 1.38054125282371 6473095 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCCN3CCOCC3 1 1.447 3 4 0 -24.0708754375533 6473087 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CN=CC=C3 1 2.44 3 3 -18.7107504332446 6473082 COC(=O)C1=CC=C(C=C1)CN2CCC3=CC=CC=C32 1 3.505 1 2 -10.189656692288 6473081 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)NC3CCCCC3 1 1.954 3 4 0 -21.0677170136211 6473066 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)C(=O)N 1 2.59 2 4 -13.4587371690237 6473042 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCCCCC3 1 2.635 2 4 -21.4762901553781 6473039 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3CCCCC3 1 1.684 2 5 0 -23.5990332914227 6473033 CC1=C(SC=C1)CNCC(C2=CC=CC=C2)O.Cl Cl- 1 2.666 1 1 -0.614279627505493 6473028 CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3 1 1.601 3 3 0 -16.9580854346101 6473016 COCCSC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 1.312 4 3 0 -17.0283040896699 6473009 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCC3 1 3.016 2 4 -18.3154148804573 6472980 C1=COC(=C1)CNC(=O)C2=NC(=NO2)C3=CC=C(C=C3)F 1 1.805 3 3 0 -2.58564556669545 6472952 CCCCS(=O)(=O)N1CCCC(C1)C(=O)OC2=CC=CC=C2 1 2.738 1 4 -18.9534988749533 6472946 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C)C(=O)COC3=CC=CC(=C3)OC 1 2.716 3 4 0 -2.93625751301183 6472943 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2)C(=O)NC3=CC=CC=C3 1 1.942 3 4 0 -11.3883930409686 6472905 CCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC=C(C=C3)F)C 1 2.706 4 1 -6.23230021860968 6472898 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=NC=C(C=C3)Cl 1 2.156 2 4 -5.12038777554835 6472859 C1=CC=C(C(=C1)C(=O)O)NCC2=CC=CS2 1 2.591 1 2 -4.34940959545546 6472855 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C)C(=O)C(C)OC3=CC=C(C=C3)OC 1 3.2 3 4 0 1.83211428754966 6472824 CCCCS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC3=C(CCC3)C=C2 1 3.147 2 3 -16.7789182829929 6472820 CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3 1 1.601 3 3 0 -18.9569703842434 6472813 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)OCC=C)N(C1=O)C 1 2.489 3 3 -17.6862083825881 6472811 CCOC(=O)N1CCN(CC1)C(=O)C(C)NC(=O)C2=CC=CO2 1 0.392 3 5 0 -11.8403505201097 6472769 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2)C(=O)N3CCCCC3 1 1.488 3 4 0 -14.3261213700557 6472751 CCN(CC1=NC(=NO1)C2=CC=C(C=C2)C)C(=O)C3=CC=CO3 1 2.641 3 3 -3.27010327378822 6472747 COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CS2)S(=O)(=O)N3CCCCC3 1 2.122 2 5 0 -13.8681524255401 6472743 C1CN(C2=CC=CC=C21)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 2.166 2 2 -14.8442242384018 6472730 COC1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=CC=CC=C4O3 1 3.043 2 4 -1.0167530312933 6472723 CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=NC=C2)OC 1 0.365 3 4 0 -11.6680017388632 6472712 CC(C)OC1=CC=C(C=C1)C(=O)NC2=NC=NN2 1 1.626 4 2 0 -8.90714562874755 6472708 CC1=CC=C(S1)CNC2=C(C=CC(=C2)C(=O)O)Cl 1 3.401 1 2 5.76457400954381e-002 6472699 CCCCS(=O)(=O)N1CCCC(C1)C(=O)OC2=CC=C(C=C2)Cl 1 3.402 1 4 -16.6432661723977 6472686 COC1=CC=CC2=C1OC(=C2)C(=O)NCCN3CCOCC3 1 1.443 2 4 0 -6.99948467754718 6472666 COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.154 3 3 -10.7798130964167 6472652 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)F 1 1.608 2 5 0 -13.3476717321546 6472640 CCN1C(=NN=C1SC(C)C(=O)NC2=NC=CS2)C3=CC=NC=C3 1 1.724 6 1 0 -8.05130727737291 6472622 CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CN=CC=C3 1 1.595 3 3 0 -9.77861470495168 6472616 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCC3=CC=CC=C3 1 3.463 2 3 -21.6137597318291 6472614 COC1=CC=CC2=C1OC(=C2)C(=O)N3CCCC4=CC=CC=C43 1 3.93 1 3 -4.96395349639716 6472611 COC1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=CO3 1 1.843 2 4 0 -5.19336676262127 6472594 CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCN3CCOCC3 1 0.995 3 4 0 -19.7704774315212 6472583 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCCCC3 1 0.949 2 5 0 -24.0415551871379 6472563 COC1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=CC4=CC=CC=C43 1 3.356 2 3 -3.90184933843924 6472536 CC(C)C1=CC(=O)N=C(N1)SCC(=O)NC2CCCC2 1 2.272 3 2 -18.2581328724169 6472529 CC(C)N1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=CC=CO4 1 3.016 5 3 0 -11.6144207646538 6472507 COC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)Br 1 2.696 3 3 -12.4851962736082 6472498 C1CN(CCN1C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4 1 1.456 3 4 0 -9.8625084982894 6472475 CCCS(=O)(=O)N1CCCC(C1)C(=O)OC2=CC=C(C=C2)Cl 1 2.946 1 4 -19.8889604893634 6472463 CC1=C(C=CC(=C1)Br)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 3.13 2 3 -3.97875551850544 6472462 C1C2CN(CC1C3=CC=CC(=O)N3C2)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl 1 2.154 2 3 -10.1593869191062 6472454 C1CCC(CC1)C(CNC(=O)N)C2=CC=CC=C2 1 3.092 2 1 -6.60952746480666 6472450 C1=CC=C(C=C1)CC2C(=O)NC3=C(C=C(C=C3)Br)C(=O)N2 1 2.632 2 2 -5.74517628539045 6472439 CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=CC=C2Cl 1 2.287 1 4 -18.1614402192363 6472432 CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)Cl 1 2.287 1 4 -16.4226800117908 6472430 CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=CC=C2 1 1.623 1 4 0 -18.7329127143464 6472427 CCCCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=CC=C2 1 2.603 1 4 -18.0124139617613 6472426 COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC=CC=C3 1 3.22 2 2 1.65647280519514 6472425 CC(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.763 3 3 -8.54810758029567 6472417 CCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC(=CC=C3)OC)C 1 2.484 4 2 -6.21439372624245 6472408 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NN=C(O2)C3=CC=CC=N3 1 3.069 4 2 -14.7500225639798 6472395 CC(C)C1=CC(=C(C=C1)OC)S(=O)(=O)NC2CCCC2 1 3.321 1 3 -7.70359804608079 6472386 C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=O)CC(=O)O 1 2.169 2 3 -7.95702225009586 6472376 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)NC3=CC(=CC=C3)Cl 1 2.357 4 3 0 -12.8672416438116 6472367 CC(C)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C 1 1.968 3 4 0 -12.5674470582778 6472335 COC1=CC=CC=C1OC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.275 0 5 -10.9933585416154 6472323 CCCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC(=CC=C3)OC)C 1 2.94 4 2 -5.80404016629053 6472322 CCOC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3 1 2.719 1 5 -10.4080223097795 6472307 COCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3 1 2.059 3 3 -16.254352024165 6472290 CCOC1=C(C=CC(=C1)C2=NN(N=N2)CC(=O)N3CCCCC3)OC 1 2.004 5 3 0 -11.077655133029 6472287 CCC1=CC=CC=C1NC(=O)CSC2=NC(=C(O2)C)C 1 2.817 2 2 -9.60577556578098 6472270 CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3 1 1.817 3 3 0 -18.6388345772818 6472260 CCCCC1=C(NC2=NC3=CC=CC=C3N2C1=O)C 1 3.376 3 1 -11.2082363860337 6472252 CCCCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=CC=C2OC 1 2.586 1 5 -19.5278351505349 6472230 COC1=CC(=O)NC(=N1)SCC(=O)NC2=NC3=C(S2)CCCC3 1 2.143 4 3 0 -19.3852360137336 6472206 CC(C(=O)N(C)CC1=NC(=NO1)C2=CC=CC=C2)OC3=CC=C(C=C3)OC 1 2.714 3 4 0 -1.74728317521121 6472188 CC1=C(C=CO1)C2=NC(=NO2)C3=CC(=C(C=C3)OC)OC 1 2.361 2 4 1.89760720448272 6472170 COC1=CC(=CC=C1)OCC2=NNN=N2 1 1.118 4 2 0 -4.89223580416484 6472157 COC(=O)C1=CC(=NN1)C2=C(C=C(C=C2)Cl)Cl 1 3.696 2 2 3.05034886579552 6472151 CC1=C(C=C(C=C1)C(=O)O)NCC2=CC=NC=C2 1 2.187 2 2 -2.94614415129266 6472108 CC1=C(C=CC(=C1)C(=O)O)NCC2=CN=CC=C2 1 2.187 2 2 -5.83429694337261 6472100 COC1=C(C=C(C=C1)S(=O)(=O)NC2CCCCC2)C(=O)N3CCCCC3 1 2.914 2 4 -16.7921519621314 6472096 CCCCS(=O)(=O)N1CCCC(C1)C(=O)NC2=NC=C(C=C2)Cl 1 2.143 3 3 -11.4212389143374 6472088 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCC3 1 1.219 3 4 0 -21.5102389093364 6472087 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCC3=CC=CC=N3 1 1.75 3 3 0 -23.3741474665338 6472064 CC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC(=CC=C3)OC)C 1 2.027 4 2 -4.43629713680134 6472043 CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)Br 1 2.371 1 4 -17.8793397568922 6472042 CC1=CC=C(C=C1)OC(C)C(=O)NC2=CC=NC=C2 1 2.269 2 2 -8.02085740109943 6472027 CC1=CSC(=N1)NC(=O)C(C)SC2=NN=C(N2C)C3=CC=NC=C3 1 1.658 6 1 0 -7.19047088199134 6472026 CCCCS(=O)(=O)N1CCC(CC1)C(=O)NCC2CCCO2 1 0.738 2 4 0 -24.2940789738654 6472025 CC1=NC2=C(N1)C=C(C=C2)NC(=O)CSC3=NN=C(S3)C 1 1.519 5 1 0 -18.7580502240399 6472023 CC1=CSC(=N1)NC(=O)CSC2=NC=CN2C 1 0.922 4 1 0 -9.77142730053888 6472020 CCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC=CC=C3F)C 1 2.706 4 1 -6.37096589756086 6472019 CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)F 1 2.656 3 2 -11.8626208996745 6472012 CCS(=O)(=O)N1CCCC(C1)C(=O)OC2=CC=C(C=C2)Br 1 2.506 1 4 -18.8204246700842 6471996 CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OC3=CC=C(C=C3)OC 1 3.607 0 6 -10.3993899545627 6471963 CC(C)(C)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)OC 1 2.607 2 5 0 -17.6879103864538 6471941 CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCCN3CCOCC3 1 1.636 3 4 0 -26.5995762524029 6471940 CC1=CC(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)OC)N3CCOCC3 1 2.769 2 4 -5.57815464495639 6471921 COC1=CC=CC2=C1OC(=C2)C(=O)NC3CC4CCC3C4 1 3.218 1 3 -0.524207615998558 6471908 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCCC3 1 1.722 2 4 0 -21.4762901553781 6471906 CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=CC=C2Br 1 2.371 1 4 -17.4799344211005 6471889 C1CN(CCC1C(=O)NC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.717 3 3 0 -9.98227916002913 6471874 COC1=C(C=C(C=C1)S(=O)(=O)N2CCSCC2)C(=O)N 1 0.365 2 4 0 -15.6960321449286 6471867 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)N4CCCC4 1 2.435 3 4 0 -19.9041324367597 6471827 CC1=NN=C(S1)NC(=O)C(C)SC2=NN=C(N2C)C3=CC=CO3 1 1.658 6 2 0 -11.261219544266 6471824 CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC3=CC=CC=C3OC 1 4.204 1 3 -9.11483671373481 6471823 CC(C)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3CCCC3 1 2.905 2 2 -8.44868171285023 6471819 CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCSCC2)OC 1 0.919 2 4 0 -20.8736072731386 6471809 CCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C 1 3.164 4 1 -5.12217855348811 6471808 CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC(OC(C3)C)C 1 2.049 1 5 -17.9645486294117 6471764 CCCCS(=O)(=O)N1CCCC(C1)C(=O)OC2=CC=CC=C2OC 1 2.721 1 5 -20.4689200637269 6471744 COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CCCC3 1 2.3 1 3 -9.82496837693345 6471741 CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=CC=C2OC 1 1.606 1 5 0 -20.24833390312 6471738 CC1CN(CC(O1)C)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 1.622 2 3 0 -13.3601393394896 6471733 C1=CC(=C(C=C1C(=O)O)NCC2=CC=NC=C2)Cl 1 2.365 2 2 -2.7115802732284 6471731 CCCS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC3=C(CCC3)C=C2 1 2.691 2 3 -20.0246125999587 6471728 COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 1.796 2 5 0 -20.8779142657017 6471716 CCCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCOCC2 1 0.407 2 4 0 -20.5644277626856 6471706 CCCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)OC 1 2.13 1 5 -21.328117047102 6471698 CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4 1 3.449 4 2 -6.97683114294729 6471687 COC1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=CS3 1 2.401 2 3 -6.72716878515315 6471685 CCCS(=O)(=O)N1CCCC(C1)C(=O)OC2=CC(=C(C=C2)C)C 1 3.254 1 4 -22.0727733734874 6471658 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C)C(=O)C3=CC=C(O3)Br 1 2.86 3 3 -2.54144157096603 6471627 CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)C 1 2.477 2 3 -22.5867958559692 6471625 CCCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC=CC=C3OC)C 1 2.94 4 2 -8.7277878077412 6471594 CCOCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3CCCC3 1 0.531 4 3 0 -17.2024990869726 6471593 C1=CSC(=C1)CNC2=C(C=CC(=C2)C(=O)O)Cl 1 3.256 1 2 -4.99219173245018 6471578 CC1=CC=C(S1)CNC2=C(C=CC(=C2)C(=O)O)OC 1 2.721 1 3 -1.64669929371209 6471576 CCCS(=O)(=O)N1CCCC(C1)C(=O)OC2=CC=CC=C2Cl 1 2.946 1 4 -21.6277206968089 6471568 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)SC)C(=O)N3CCOCC3 1 1.944 2 5 0 -10.7248884042114 6471522 CCN1C(=O)C2=CC=CC=C2N(C1=O)CC3=CC=CC(=C3)C 1 3.394 2 2 -0.318633151099622 6471502 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2)C(=O)NC3CCCCC3 1 2.223 3 4 0 -13.6294841258593 6471496 COC1=CC=CC(=C1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl 1 4.467 1 2 5.41796508129925 6471490 CN(C)C(=O)CN1C2=CC=CC=C2N(C1=O)S(=O)(=O)C3=CC=CC=C3 1 1.521 3 4 0 -13.1427162423869 6471461 CCOC(=O)C1CCCN(C1)CC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 2.711 3 3 -2.44273628795484 6471449 COC1=C(C=C(C=C1)S(=O)(=O)NCC2CC3CC2C=C3)OC 1 2.128 1 4 -2.21556256974652 6471441 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=CO3)Cl 1 2.835 3 3 -4.41948493374501 6471438 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCCC3 1 0.493 2 5 0 -23.6870866729698 6471437 C=CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3 1 2.856 3 3 -20.6230682454677 6471430 CCCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC=CC=C3F)C 1 3.162 4 1 -5.96061233760895 6471429 COC1=CC=CC2=C1OC(=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCOCC4 1 2.294 2 5 0 -10.1708190779267 6471406 COC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.977 3 2 -2.9162613158328 6471391 COC1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=C(O3)Br 1 2.411 2 4 -6.50657674706993 6471379 COC1=C(C=C(C=C1)S(=O)(=O)NC2CCCCCC2)C(=O)N 1 2.041 2 4 -12.5246929474605 6471347 COC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCOCC2)F 1 0.819 2 4 0 -8.93742179737529 6471344 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCCCCC3 1 1.405 2 5 0 -24.0415551871379 6471332 CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCC3=CC=CC=N3 1 2.458 3 3 -26.4501042340669 6471321 CCN(CC(=O)N1CCCC1)S(=O)(=O)C2=CC=C(C=C2)OCC 1 1.354 2 4 0 -15.0559381604709 6471297 CCOC1=CC=CC(=C1)CNCCSC2=NN=NN2C.Cl Cl- 1 1.742 5 1 0 -12.9411872177945 6471283 CCCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC=C(C=C3)F)C 1 3.162 4 1 -5.82194665865776 6471275 CCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 1.821 4 2 0 -15.0273760063108 6471268 CC1=C(C=CC(=C1)C(=O)O)NCC2=CC=NC=C2 1 2.187 2 2 -3.83541199373933 6471265 CCN1C(=O)C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3C 1 3.394 2 2 -2.84091291185103 6471255 CC(=O)NC1=NN(C(=N1)NCC2=CC=C(C=C2)OC)C3=CC=CC=C3 1 2.459 5 2 0 -4.52635021011596 6471249 COC1=C(C=C(C=C1)S(=O)(=O)NC2CCCC2)C(=O)N 1 1.128 2 4 0 -12.1702244332925 6471223 CC(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CO4 1 3.336 3 3 -15.1533375845233 6471217 COC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=O 1 3.94 0 5 -5.55507992076613 6471193 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCCCC3 1 1.722 2 4 0 -21.4762901553781 6471189 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)N3CCCCC3 1 1.821 2 5 0 -15.1849744305307 6471175 CC(C)(C)N1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C#N 1 1.119 3 2 0 -7.64105242651492 6471156 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)NC3=CC=CC=C3 1 1.672 3 4 0 -18.7292317022056 6471152 CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 3.995 3 3 -4.35463911330629 6471132 CCC1=NN=C(N1CC2CCCO2)SCC(=O)NC3=CC=CC=C3 1 2.406 4 2 -24.90523469999 6471127 CCC(CC)NC(=O)NC1=CC=C(C=C1)OC 1 2.703 2 2 -6.77069781143968 6471104 C1CN(CCC1NC(=O)NC2=CC(=CC=C2)F)CC3=CC=CC=C3 1 2.846 3 1 -0.530653612076644 6471094 CC1=CC(=CC=C1)NC(=O)NCCN2CCCCC2 1 2.488 3 1 -4.33773587733578 6471089 CCC1=NN=C(N1CC)SCC(=O)NC2=NC=CS2 1 1.393 5 1 0 -17.6655405386752 6471080 CC1=CC(=CC=C1)CC(=O)NCC2CCCCC2 1 3.747 1 1 -7.5712521577464 6471076 COC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C)OC 1 0.127 3 5 0 -21.2378507557938 6471072 C=CCN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CC=CC=N3 1 2.765 5 1 -18.5804219737651 6471069 CCN1C=C(C=N1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)OC 1 1.925 4 3 0 -3.65481925000965 6471065 C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3 1 2.397 3 2 -7.35140320730771 6471057 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCCCCCC3 1 3.087 1 4 -11.4001465228501 6471056 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C 1 2.581 2 5 0 -12.7123151721495 6471054 CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)C3CCCO3 1 1.314 2 3 0 -19.7792173062779 6471049 COC(=O)C1=C(C=CS1)NC(=O)NC2=CC(=CC=C2)F 1 2.537 2 3 -6.20474241553096 6471042 CCCC1=CC(=CS1)C(=O)N2CCCN(CC2)C 1 2.194 2 1 -4.96506780417833 6471041 C1CCN(C1)C(=O)C2C3CCC(C3)C2C(=O)O 1 1.027 1 3 0 -6.53258969566556 6471034 C1CC1NC(=O)NC2=C(C=C(C=C2)F)F 1 1.847 2 1 0 -7.48567240722446 6471032 CCC(C)NC(=O)NC1=CC=C(C=C1)OCC 1 2.528 2 2 -10.4652980247744 6471020 C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F 1 0.907 2 4 0 -26.7636118916377 6471014 CC1=CC(=CC=C1)CC(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3 1 2.237 2 3 -10.1350961335919 6471004 CCC1=C(SC(=C1C(=O)N2CCOCC2)NC(=O)CC3=CC=CC=C3C)C 1 3.111 2 3 -16.2205465257405 6471003 CC1=CN=C(S1)NC(=O)C2=C(C=NN2C)Cl 1 1.363 4 1 0 -4.40636100929686 6470989 COC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCCC2=O)OC 1 0.424 2 5 0 -24.1298498041431 6470987 CC1=CC=CC=C1CC(=O)N2CCCC2 1 2.225 1 1 -9.0514122816376 6470985 CN1C(=CC=N1)C(=O)NC2=CC3=C(C=C2)OCO3 1 1.324 3 3 0 -12.4794708356673 6470980 CN1C(=NN=C1SCC(=O)NC2CC2)COC3=CC=C(C=C3)OC 1 1.776 4 3 0 -17.6051715566912 6470978 CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2 1 1.583 3 3 0 -11.4383437296034 6470972 CC1=CC=C(C=C1)C2=NC(=CS2)CNC(=O)C3=NOC(=C3)C 1 2.731 3 2 -12.2922658468334 6470969 CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)C3CC3 1 1.484 5 1 0 -15.8240390139222 6470964 CC1CCCCC1NC(=O)NC2=CC(=CC=C2)OC 1 3.107 2 2 -8.31717544416438 6470963 CCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.724 3 1 -1.63334776911427 6470953 C1CCC(C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.03 3 3 -18.9778246694488 6470944 CCC1=CC=CC=C1NC(=O)NCC2=CC=CC=N2 1 2.536 3 1 -10.1137545095501 6470938 CCN1C=C(C=N1)S(=O)(=O)NCC2=CC=C(C=C2)OC 1 1.306 3 3 0 -5.01715248922052 6470936 CCOC1=CC=CC=C1NC(=O)NCC2=CC=C(C=C2)F 1 3.067 2 2 -9.23337471653612 6470921 CCOC(=O)CC1=CSC(=N1)NC(=O)CN2CCOCC2 1 0.308 3 4 0 -13.5892693922505 6470903 CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NCC3=CC=C(C=C3)Cl)C 1 4.229 3 1 -0.472682559688488 6470895 CN1C(=C(C=N1)Cl)C(=O)NC2=CC3=C(C=C2)OCO3 1 1.988 3 3 0 -6.61540840094153 6470862 CC1=C(C=C(C=C1)NC(=O)N2CCCC2)Cl 1 2.763 2 1 -4.61625959853574 6470861 C1=CC=C(C=C1)C#CC(=O)NC2=CC(=CC=C2)F 1 3.41 1 1 4.7083561535026 6470857 CCC(C)C1=CC=C(C=C1)NC(=O)NC2=CN=CC=C2 1 3.022 3 1 -3.11782889988951 6470854 CC1=C(C=C(C=C1)NC(=O)N2CCCCCC2)C 1 3.498 2 1 -5.65049878125266 6470850 CCC1=CC=CC=C1NC(=O)NCCN2CCCCC2 1 2.944 3 1 -9.47292192911781 6470847 C1CC2C(C(C1O2)C(=O)NC3=CC=CC=C3Br)C(=O)O 1 1.572 1 4 0 -4.09727427215822 6470846 C1CCCN(CCC1)C(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=O 1 3.767 1 3 -7.76338240614028 6470839 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC3=CC=CC=C3 1 2.792 2 3 -11.1656703933378 6470838 CCN(CC1=CC=NC=C1)C(=O)C2=CC=CO2 1 1.42 2 2 0 -8.39497728601779 6470822 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.755 3 3 -3.37729897798958 6470820 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NN3C)C 1 1.741 4 3 0 -22.9820415639724 6470810 C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 1.245 2 4 0 -28.7323096282323 6470809 CC1=CC(=CC=C1)CC(=O)NCCN2CCOCC2 1 1.385 2 2 0 -9.74000082592797 6470808 C1=CC(=C(C=C1S(=O)(=O)NC2=NOC=C2)F)F 1 1.721 2 3 0 -4.27523141290765 6470804 CCC1=NN=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3Cl 1 2.563 5 1 -10.4474425610348 6470803 COC1=CC=CC=C1NC(=O)NC2=NC=CN=C2 1 0.744 4 2 0 -8.03762061886067 6470799 CC1=CC=C(C=C1)S(=O)(=O)N2CCN3CCCC3C2 1 1.88 2 2 0 -8.79470155128207 6470798 CC(C1=CC(=CC=C1)OC)NC(=O)C2CCCC2 1 2.988 1 2 -5.06341617414191 6470787 CCN1C=C(C=N1)S(=O)(=O)N2CCCC2 1 0.406 3 2 0 -13.7976017984706 6470773 C=CCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CS3 1 2.528 4 1 -21.2755469039601 6470771 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2OC 1 1.766 3 4 0 -13.0699274435057 6470768 C=CCNC(=O)NC1=C(C=C(C=C1)F)F 1 1.974 2 1 0 -9.36349648647349 6470766 CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=CN2C)C 1 1.916 3 3 0 -18.1752267536003 6470764 CC1=CC=C(C=C1)NC(=O)NC2=NC=C(C=C2)Cl 1 3.062 3 1 -0.734868523132649 6470761 COC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)OC 1 1.932 3 4 0 -9.9950655217745 6470760 CCOC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C 1 1.596 2 2 0 -4.32640390820931 6470751 CN1C(=CC=N1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.36 4 4 0 -25.0217962627356 6470744 CCC(C1=CC=CC=C1)NC(=O)CC2=CC=CS2 1 3.511 1 1 -11.9418039407025 6470731 C1CC2C(C(C1O2)C(=O)NC3=C(C=C(C=C3)Cl)F)C(=O)O 1 1.694 1 4 0 -0.342527637933452 6470719 CC1=C(C=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)O3)C 1 1.796 1 4 0 -3.50287289732697 6470718 C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC=CO3 1 3.049 2 2 -4.67845634656059 6470717 CC1=NN(C=C1S(=O)(=O)NC2=C(C=CC(=C2)Cl)OC)C 1 1.898 3 3 0 -0.883664372508138 6470708 CC1=NC(=NC=C1)NC(=O)NC2=CC(=CC=C2)F 1 1.753 4 1 0 -5.36535012039024 6470686 CC1=NN=C(N1C(C)C)SCC(=O)NC2CCCC2 1 1.932 4 1 0 -17.8116482944524 6470685 CC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CN(N=C3C)C 1 2.361 4 2 1.99955345062689 6470683 CCC1=C(SC(=C1C(=O)N2CCOCC2)NC(=O)CC3=CC=CC=C3OC)C 1 2.609 2 4 -16.7663514509415 6470681 CCN1C=C(C=N1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 1.091 3 4 0 -6.29944021730149 6470666 CC(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 0.87 3 4 0 -17.0759526013555 6470658 CCC(CC)(C#C)NC(=O)NC1=CC=C(C=C1)OCC 1 4.1 2 2 -8.19741501625668 6470653 CCC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)F)F 1 3.876 2 1 -4.86963087925616 6470649 CC(=O)N(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.771 4 3 0 -6.78682884943129 6470641 CC(C(=O)N1CCCN(CC1)C)OC2=CC(=CC=C2)Br 1 2.331 2 2 -7.6263198837665 6470636 CC1=CC(=CC=C1)CC(=O)N2CCOCC2 1 1.452 1 2 0 -8.07766499479079 6470630 CC1=C(C=CC=C1Cl)NC(=O)NCC2=CC=NC=C2 1 2.529 3 1 -4.88835168120855 6470627 CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3 1 2.399 3 3 -15.2805332905829 6470622 C1CN(CCN1CCC2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)F)Cl 1 3.975 2 1 1.38193546261828 6470621 C1CN(CCN1CC(=O)NC2=NC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 1.593 4 3 0 -17.6533763939827 6470620 CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)C3=CC=CC=N3 1 1.668 6 1 0 -13.8105369706444 6470617 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3OC 1 1.707 3 4 0 -21.0755225074128 6470615 CC1=C(C=CC=C1Cl)NC(=O)NC2=CC=CC(=C2)NC(=O)C 1 2.793 3 2 -5.48839443022907 6470613 CC1=CC(=CC(=C1)NC(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)C 1 4.133 3 1 1.28260311368574 6470602 CCC(CC)(C#C)NC(=O)NC1=CC=CC=C1C(=O)OC 1 3.623 2 3 -15.4711219970804 6470601 CCN1C=C(C=N1)S(=O)(=O)NC2=C(C=CC(=C2)C)F 1 2.008 3 2 -4.93171218152435 6470599 CC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CN(N=C2C)C 1 2.4 3 2 3.68729911993509e-002 6470582 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C)C3CC3 1 1.539 6 1 0 -20.7573682599003 6470576 CCOC(=O)C1=C(SC(=C1)C)NC(=O)CSC2=NC=CC=N2 1 1.886 3 3 0 -11.4452517729145 6470566 C1COCCN1CC(=O)NCCC2=CC=CC=C2 1 0.972 2 2 0 -11.6968791882418 6470536 C1CCC(CC1)CNC(=O)C2=C(C=C(C=C2)F)Cl 1 4.096 1 1 -4.50358197899212 6470530 CCC1=CC(=C(S1)NC(=O)CSC2=NC=CN2C)C(=O)OC 1 2.097 3 3 -15.6149163044786 6470523 CC1CN(CC(O1)C)CC(=O)NC2=NN=C(S2)C 1 0.133 4 2 0 -16.4768523771986 6470522 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32)Cl 1 3.11 3 2 -2.86911652683425 6470517 CCC(C1=CC=CC=C1)NS(=O)(=O)C2=CN(N=C2)CC 1 2.224 3 2 -12.3609651722143 6470511 CC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC(=CC=C2)OC 1 3.657 2 2 -3.0746186278373 6470497 COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.842 3 3 -7.60952079964944 6470494 COC1=CC=C(C=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C 1 0.143 3 4 0 -17.3077841633383 6470491 CC1=C(SC(=N1)NC(=O)CN2CCCCC2)C(=O)N(C)C 1 0.858 4 2 0 -10.6736178145296 6470487 CC(C)C1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2 1 2.573 3 1 -6.73247712439472 6470484 C1CC2C(C(C1O2)C(=O)NC3=C(C=C(C=C3)Br)F)C(=O)O 1 1.778 1 4 0 -0.974859643620216 6470483 CC1=CC=C(C=C1)S(=O)(=O)NCCCN2CCCC2=O 1 0.943 2 3 0 -18.6452738175828 6470474 C1=CC=C(C(=C1)NC(=O)NCC2=CC=CC=N2)F 1 1.799 3 1 0 -9.24830398303994 6470464 COC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC3=CC=CC=C3)OC 1 2.776 2 4 -8.69985194668484 6470463 C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C3=CC(=CC=C3)Cl 1 3.257 3 1 -2.07730932226941 6470462 COC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3)OC 1 1.591 3 5 0 -14.3934567464566 6470426 COC1=CC=C(C=C1)NC(=O)NC2CCCCCCC2 1 3.7 2 2 -6.92232976359825 6470422 COC1=CC=CC(=C1)NC(=O)NC2=CC=CC=C2C(=O)N 1 1.508 3 3 0 -6.81346019220279 6470414 CC(C1=CC=CC=C1)NC(=O)CN2CCOCC2 1 1.028 2 2 0 -11.6795445483085 6470413 COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)CC3=CC=CO3 1 1.73 3 4 0 -9.89644146373725 6470411 CCN1C(=C(C=N1)S(=O)(=O)NC2=CN=CC=C2)C 1 0.311 4 2 0 -5.18168775210691 6470404 CC1=C(C=CC=C1Cl)NC(=O)NC2=CC=CC=C2C(=O)N 1 2.675 3 2 -5.16123626230166 6470395 CCN1CCC(CC1)NC(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.053 3 2 -6.41528059281965 6470393 C1=CC(=CC(=C1)NC(=O)NC2=NOC=C2)C(F)(F)F 1 2.458 3 2 0.752094508389779 6470382 CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3)C(=O)OCC 1 2.035 3 5 0 -14.3307971994382 6470379 CC1=CC(=C(C=C1)C)NC(=O)NC2=C(SC=C2)C(=O)OC 1 3.304 2 3 -9.53056449671238 6470377 CCC(CC)NC(=O)NC1=CC(=C(C=C1)F)Cl 1 3.589 2 1 -4.45926871084522 6470376 COC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCO3 1 2.146 2 5 0 -8.29039636455758 6470367 CCOC1=CC=CC=C1NC(=O)NCC2=CC=CC=N2 1 1.926 3 2 0 -12.3184183324615 6470362 CCC(C)(C)NC(=O)NC1=C(C=CC(=C1)Cl)OC 1 3.049 2 2 -8.72789676799194 6470360 CC(C1=CC(=C(C=C1)OC)OC)NC(=O)C2CCCC2 1 2.972 1 3 -8.35502203028647 6470358 CCC1=C(C=C(S1)C(=O)N2CCCN(CC2)C)Br 1 2.777 2 1 -4.65047741331554 6470346 COC1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)F)F 1 2.917 2 2 -3.40612068302055 6470344 CCOC1=CC(=C(C=C1)C(=O)NCCN2CCCCC2)OCC 1 2.758 2 3 -8.43534394339016 6470341 COC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)F)F 1 2.917 2 2 -5.99909767071152 6470327 CCOC1=CC=CC=C1NC(=O)NC2=NC=C(C=C2)Br 1 2.992 3 2 -10.2769305996214 6470326 CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C(=O)C3CCCO3)C(=O)OC 1 0.96 3 5 0 -25.5174590880784 6470323 C1COC2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4 1 2.076 2 5 0 -7.36863563041419 6470312 CN1C(=C(C=N1)Cl)C(=O)NC2=NN=C(S2)C3CC3 1 1.712 5 1 0 -8.3786908653149 6470311 C1CN(CCN1C(=O)C2=CC=C(S2)Cl)C34CC5CC(C3)CC(C5)C4 1 3.756 2 1 -4.96277180290473 6470296 CCCN1CCC(CC1)NC(=O)C2CC=CCC2C(=O)O 1 -1.812 2 3 0 -5.05036482185134 6470295 CCOC(=O)C1=C(SN=C1C)NC(=O)C2CCCCC2 1 2.7 2 3 -5.11458663687939 6470292 CN1C(=C(C=N1)Cl)C(=O)N2CCOCC2 1 0.537 3 2 0 -8.29728607329475 6470285 CCC1=C(SC=C1C(=O)NC(C)C2CCCO2)C 1 2.524 1 2 -13.050995996508 6470283 COC1=CC=CC=C1CC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.538 2 4 0 -10.878410257574 6470280 CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)C3=CN=CC=C3 1 1.24 6 1 0 -14.4697359398699 6470273 CCC(C)NC(=O)NC1=CC=C(C=C1)Br 1 2.944 2 1 -9.13906902164403 6470271 CC1=C(CC(C(C1)C(=O)NCC2=CC=CC=C2F)C(=O)O)C 1 2.922 1 3 -8.43208499735249 6470268 C1CC1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 0.659 3 3 0 -20.6015525147375 6470267 CC(C)C1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2 1 4.004 2 1 -8.47773579114929 6470264 C1CN(CCN1CC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F 1 3.462 3 1 -3.03381962444811 6470259 CC1=CC=C(C=C1)NC(=O)NCCN2CCCCC2 1 2.488 3 1 -6.22538143066491 6470253 CCC1=CC=CC=C1NC(=O)NCC2=CC3=C(C=C2)OCO3 1 3.24 2 3 -9.43584185631507 6470252 CC1=C(C=C(C=C1)F)NC(=O)C2C3CCC(C2C(=O)O)O3 1 1.515 1 4 0 -3.54755013409054 6470250 C1=CC(=C(C=C1NC(=O)NC2=NC=CN=C2)Cl)F 1 1.63 4 1 0 -1.48020415492602 6470235 CCN1C(=NN=C1SCC(=O)NC2CCCCCC2)C 1 2.467 4 1 -18.1839612166885 6470222 C1=CSC(=C1)CNS(=O)(=O)C2=CC=C(S2)Br 1 2.419 1 2 -6.24082796155368 6470219 CC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3 1 1.719 3 3 0 -9.65636620314973 6470209 CN1CCCN(CC1)C(=O)C2=CC3=C(S2)CCCC3 1 2.6 2 1 -6.91701337081495 6470206 CCCNC(=O)N1CCC2(CC1)OCCO2 1 0.512 2 3 0 -13.3424923530367 6470203 CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.849 2 2 -8.42501784663194 6470200 C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C3=NNN=N3 1 2.037 5 1 -2.60846321021748 6470199 COC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.508 3 3 0 -10.9027716914968 6470194 CC1=CC(=C(C=C1)C)C(C)NC(=O)C2=CC=NC=C2 1 2.82 2 1 -9.98895522681632 6470189 C1CC(OC1)CNC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 2.957 1 3 -9.90263214886987 6470186 CCCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CS3 1 2.783 4 1 -18.7833944954615 6470173 CCC(C(=O)N1CCCN(CC1)C)OC2=CC(=CC=C2)Cl 1 2.771 2 2 -5.81058346362797 6470169 C1=CSC(=C1)S(=O)(=O)NCCC2=CC=C(C=C2)Cl 1 3.096 1 2 -4.24513005229563 6470167 CC1=C(C=CC(=C1)OCC(=O)N2CCCN(CC2)C)Cl 1 2.249 2 2 -3.05036043490156 6470166 C1CN(CCN1CC(=O)NCC2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3 1 1.904 3 3 0 -9.65146344415267 6470157 C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)O)C(=O)NCC3=CC=CC=C3 1 2.757 2 4 -25.001528138178 6470155 COC1=CC=CC(=C1)NC(=O)NCCC2=CCCCC2 1 3.257 2 2 -9.17565494471501 6470137 CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C 1 0.992 3 4 0 -21.0639191382572 6470129 COC1=CC=C(C=C1)NC(=O)C#CC2=CC=CC=C2 1 3.188 1 2 2.60177850525279 6470128 CCOC1=CC(=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)OCC 1 2.279 2 5 0 -18.8900145236542 6470104 CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.041 2 3 -8.43078163884196 6470100 CCC(C1=CC=CC=C1)NC(=O)C2=CC=NC=C2 1 2.372 2 1 -9.56802454824438 6470097 CCC1=NN=C(N1CC)SCC(=O)NC2=NC(=C(S2)C(=O)N(C)C)C 1 1.381 6 2 0 -21.7733598089845 6470088 CC1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)C 1 3.502 2 1 -5.3193663628546 6470079 C1=CC(=CC=C1S(=O)(=O)NC2=NOC=C2)Br 1 2.059 2 3 -3.7682116710625 6470077 CC(C)C1=CC=C(C=C1)NC(=O)NCC2=CC=CC=N2 1 2.788 3 1 -6.41434131743318 6470055 C1CC(OC1)C(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)F 1 0.907 3 3 0 -16.6801763242919 6470050 CN1C(=C(C=N1)Cl)C(=O)N2CCC(CC2)CC3=CC=CC=C3 1 3.507 3 1 -2.6514664582861 6470043 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC(C)C2CCCO2 1 3.244 1 3 -10.5947102837725 6470042 CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC=C(C=C2)OC 1 2.717 2 4 -9.25737758970322 6470035 C1CCCN(CCC1)C(=O)COC2=C(C=C(C=C2)F)F 1 3.319 1 2 -6.16424970398058 6470034 C1=CC(=C(C=C1Cl)S(=O)(=O)NC2=NOC=C2)Cl 1 2.639 2 3 -2.14784854310306 6470023 CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)N(C)C(=O)C 1 2.335 3 2 -9.50460487018731 6470018 C=CCN1C(=NN=C1SCC(=O)N)CCC2=CC=CC=C2 1 2.37 4 1 -17.7236657145684 6470017 CC1=CC(=C(C=C1)OC)NC(=O)NCC2=CC=CC=N2 1 2.064 3 2 -10.2212765192009 6470016 CC1=C(CC(C(C1)C(=O)NCC2=CC(=CC=C2)Cl)C(=O)O)C 1 3.38 1 3 -4.87236264485367 6470011 CC1=C(C=C(C=C1)NC(=O)N2CCC3=CC=CC=C32)C 1 3.775 2 1 -8.41665943131008 6470002 COC1=CC=CC(=C1)NC(=O)N2CCCC2 1 1.596 2 2 0 -5.10437626690094 6469996 COC1=CC=CC(=C1)NC(=O)CN2CCC3=CC=CC=C3C2 1 2.598 2 2 -8.45579645008926 6469994 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCO3 1 0.983 2 4 0 -29.0976485737176 6469989 C1CC2CC1C(C2C(=O)O)C(=O)NCCC3=CC(=CC=C3)Cl 1 2.929 1 3 -6.27379869817839 6469979 CC1=C(C=C(C=C1)NC(=O)NCC2=CC=C(C=C2)OC)C 1 3.485 2 2 -5.1539284444213 6469972 CC1=C(C=C(C=C1)C(C)NC(=O)C2CCCC2)C 1 3.977 1 1 -4.09041320194114 6469965 CCC1=CC=CC=C1NC(=O)NC2=NC=CN=C2 1 1.703 4 1 0 -6.62620754482924 6469961 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)NC2=CC=CC3=CC=CC=C32 1 2.757 3 2 -7.91625984930131 6469954 CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)NC3CCCCC3 1 3.926 3 1 -13.8093964723112 6469953 CN1C(=NN=C1SCC(=O)NC2CC2)C3CC3 1 1.051 4 1 0 -16.9585646985918 6469944 CC1=CC(=C(C=C1)NC(=O)NC2=CC=C(C=C2)NC(=O)C)C 1 2.615 3 2 -9.2554809457665 6469936 CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl 1 3.843 3 1 2.95484298225846 6469931 CCN(CC1=CC=NC=C1)C(=O)CC2=CC=CS2 1 2.013 2 1 -12.8877070666042 6469916 COC1=CC=CC(=C1)NC(=O)NCC2=CC=C(C=C2)F 1 2.718 2 2 -3.83743120962827 6469913 CC1=CC(=C(C=C1)NC(=O)NCC2=CC=C(C=C2)OC)C 1 3.485 2 2 -8.7955935516893 6469911 CC1=C(C=C(C=C1)NC(=O)NCCN2CCCCC2)Cl 1 3.152 3 1 -5.79352557675618 6469905 CCCNC(=O)N1CCC(CC1)CC2=CC=CC=C2 1 3.105 2 1 -6.98594887401839 6469899 CC(C)C1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)NN=C3 1 3.288 3 2 -6.39477347117185 6469889 C1CN(CCN1CC2=CC=C(C=C2)F)CC(=O)NCC3=CC=CC=C3 1 2.709 3 1 -6.08274791058225 6469888 CN1C(=CC=N1)C(=O)N2CCOCC2 1 -0.128 3 2 0 -12.7756857824568 6469886 COC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)OC)OC 1 2.345 2 5 0 -10.4951726994192 6469878 CC1=CC(=NC=C1)NC(=O)NC2=C(C=C(C=C2)Br)Cl 1 3.81 3 1 -0.555838933786571 6469875 CCC(C1=CC=CC=C1)NS(=O)(=O)C2=CN(N=C2C)C 1 2.158 3 2 -8.44487442387418 6469870 CC1=C(C(=CC=C1)NC(=O)NC2=NOC(=C2)C)C 1 2.634 3 2 -11.8047026467409 6469860 CN1C(=NN=C1SCC(=O)NC2CC2)CC3=CC=C(C=C3)Cl 1 2.657 4 1 -15.43909927636 6469837 CCN1C=CC(=N1)C(=O)NCCCN2CCCC2=O 1 0.181 4 2 0 -26.1056059846352 6469831 CC1CN(CC(O1)C)CC(=O)NC(C)C2=CC=CC=C2 1 1.783 2 2 0 -14.0572375172471 6469828 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCO3 1 0.48 2 5 0 -29.5106147828618 6469819 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3 1 1.437 3 5 0 -11.4166861091897 6469807 C1CCCN(CC1)C(=O)NC2=CC(=CC=C2)F 1 2.731 2 1 -3.6115783009821 6469799 CC1=CC=CC=C1CN2C=C(C=N2)NS(=O)(=O)C3=CN(N=C3C)C 1 1.969 5 2 0 -7.03221565957989 6469782 CC1=CC(=C(C=C1)OC)NC(=O)NCC2=CC=C(C=C2)F 1 3.205 2 2 -7.30464590028785 6469780 CC1=CC=CC=C1CC(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 3.651 1 3 -11.9557130037084 6469777 CC1=CC(=C(C=C1)C(C)NC(=O)C2=CC=NC=C2)C 1 2.82 2 1 -9.51030239505281 6469776 C1CCC(C(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)O 1 1.68 2 5 0 -18.5817096256386 6469773 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC3CCCCC3 1 2.001 3 4 0 -23.2179674760844 6469763 CN1CCCN(CC1)C(=O)C2=CC=CC=C2Cl 1 1.928 2 1 0 -4.21182102222471 6469762 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4 1 2.059 2 5 0 -5.92333447684575 6469761 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=CC(=N2)C)C 1 2.884 3 3 -6.89062712977628 6469694 CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3)C 1 1.962 3 5 0 -13.9584650744367 6469698 CCN1C(=NN=C1SCC(=O)N)CCC2=CC=CC=C2 1 2.102 4 1 -14.6400008131832 6469701 CCN1C=C(C=N1)S(=O)(=O)NCCC2=CC=C(C=C2)F 1 1.85 3 2 0 -5.36599470228032 6469705 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN3CCCC3C2 1 0.514 3 3 0 -13.8738912856662 6469710 CC1CN(CC(O1)C)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.007 3 2 -3.12102336481244 6469727 CN1C(=C(C=N1)Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.462 4 2 -2.79654438722563 6469722 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CC3=CC=CC=C3OC 1 3.149 1 4 -12.5015179289095 6469717 CCC1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)OC 1 3.448 2 2 -2.70672908417084 6469687 CCOC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3)OCC 1 2.381 2 5 0 -11.9716537677994 6469684 CC1=CC=CC=C1CC(=O)NC2=C(C=C(S2)C(C)C)C(=O)N3CCOCC3 1 3.298 2 3 -13.3980392980124 6469679 CCC(CC)NC(=O)NC1=CC=CC(=C1C)C 1 3.692 2 1 -6.47871115531853 6469655 COC1=CC=CC=C1NC(=O)NCCN2CCCCC2 1 1.985 3 2 0 -10.8843350031492 6469650 CC1=NN=C(N1C(C)C)SCC(=O)NC2CCCCCC2 1 2.844 4 1 -18.1661168086205 6469648 CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3CCCO3 1 0.642 3 5 0 -21.1965054189834 6469647 CCC1=CC=CC(=C1NC(=O)NC2=CC3=C(C=C2)OCO3)C 1 3.719 2 3 -7.42043305924077 6469634 C=CCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Cl)C3CC3 1 2.808 5 1 -15.4468868501506 6469600 CC1=NN(C=C1S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C 1 1.714 4 2 0 -6.98975157289674 6469596 C1CCN(C1)C(=O)NC2=CC3=C(C=C2)OCO3 1 1.381 2 3 0 -8.00468501770634 6469577 C1CN(CCN1S(=O)(=O)C2=CC(=C(C=C2)F)F)S(=O)(=O)C3=CC=CS3 1 1.728 2 4 0 -16.0932614283912 6469573 CN1C(=CC=N1)C(=O)N2CCC3(CC2)OCCO3 1 0.25 3 3 0 -13.4864096464665 6469564 CCC1=NN=C(S1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)OC 1 1.882 5 2 0 -10.0933508791698 6469560 CC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl 1 3.219 2 2 -6.34079902295442 6469553 CC1=CC(=CC=C1)CC(=O)NC2CCN(CC2)C 1 1.669 2 1 0 -2.72214442927025 6469552 C1CC1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.118 3 3 0 -19.4914308496159 6469549 CCOC(=O)C1=C(SC(=C1)C)NC(=O)CSC2=NC=CN2C 1 1.779 3 3 0 -11.2939626353837 6469544 CCCN1CCN(CC1)CC(=O)NC2=NN=CS2 1 0.26 5 1 0 -8.1096876246079 6469540 CC1=CC(=CC=C1)NC(=O)NC2=CC=NC=C2 1 1.858 3 1 0 -0.940674926946402 6469538 CCOC1=CC=CC=C1NC(=O)N2CCC3=CC=CC=C3C2 1 3.142 2 2 -13.0289284786671 6469534 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3F 1 2.889 2 3 -21.8297174129086 6469531 CCC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)OCO3 1 3.233 2 3 -8.38009335081992 6469528 CC(C1=C(C=CC(=C1)OC)OC)NC(=O)NC2=CC=CC=C2 1 2.874 2 3 -9.50277275608803 6469527 CC1=NC(=NC=C1)SCC(=O)NC2CCCCCC2 1 2.771 3 1 -15.6120201112713 6469521 CCOC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C(=O)N 1 1.857 3 3 0 -7.8389945120737 6469514 CCCN1CCC(CC1)NC(=O)CC2=CC=CC=C2OC 1 2.039 2 2 -7.82352263263788 6469507 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.031 4 3 0 -12.6384177188532 6469502 CCCNC(=O)N1CCN(CC1)S(=O)(=O)C 1 -0.545 3 3 0 -22.5557060268331 6469501 CN1C(=C(C=N1)Cl)C(=O)NC2=CC3=C(CCC3)C=C2 1 3.277 3 1 -7.27300236598985 6469490 CCC1CCCCN1C(=O)NC2=C(C=CC(=C2)Cl)OC 1 3.618 2 2 -7.6080246172804 6469486 C1CC2CC1C(C2C(=O)O)C(=O)NCCC3=CC=C(C=C3)F 1 2.47 1 3 -7.98846597823298 6469472 CC(C1=CC=CC=C1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)F 1 3.087 3 1 -4.70517938654165 6469408 COC1=CC(=CC(=C1)NC(=O)C2C3CCC(C2C(=O)O)O3)OC 1 0.791 1 6 0 -6.616911405293 6469414 C1=CC(=CC(=C1)NC(=O)C2=CC=C(S2)Br)C3=NNN=N3 1 2.605 5 1 -0.204451625708722 6469418 C1CC2=CC=CC=C2N(C1)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.027 2 3 -9.59594385502358 6469448 C1=CC(=C(C=C1NC(=O)NC2=NC=C(C=C2)Cl)Cl)F 1 3.445 3 1 0.347465366799189 6469447 CCCCNC(=O)N1C(CC2=CC=CC=C21)C 1 2.933 2 1 -12.6843430561167 6469443 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=N2)C 1 2.398 3 3 -6.32228513051577 6469441 COC(=O)CSC1=NN=C(N1CC=C)CCC2=CC=CC=C2 1 3.223 3 2 -20.0679403846887 6469438 CCN1C=C(C=N1)S(=O)(=O)NCC2=CC=CC=C2Br 1 2.071 3 2 -5.66841114363718 6469432 CCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3CCCC3 1 2.588 4 2 -18.7586196505647 6469431 CCCN1CCC(CC1)NC(=O)CC2=CC=C(C=C2)C 1 2.542 2 1 -5.11457043596146 6469424 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC3=CC=CC=C3 1 1.929 3 3 0 -15.8318939185778 6469392 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=C(C=NN3C)Cl 1 2.736 3 3 -8.85061701970285 6469391 CC1=C(C=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)O3)Cl 1 1.974 1 4 0 -2.82310222877814 6469386 CC1=CC=C(O1)C(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4 1 2.885 2 2 -5.49498763476628 6469364 C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3 1 1.523 2 4 0 -16.3010665380271 6469363 C1CCN(CC1)CCNC(=O)NC2=CC=CC=C2F 1 2.207 3 1 -8.60747140260763 6469354 CC1=NC(=NC=C1)SCC(=O)NC2=C(C=CS2)C#N 1 1.698 4 1 0 -17.2952023031415 6469348 CCN1C=C(C=N1)S(=O)(=O)NCCC2=CC=CC=C2OC 1 1.628 3 3 0 -10.8536739469812 6469345 CCN1C(=NN=C1SCC(=O)NC2CC2)C(C)OC3=CC=CC=C3 1 2.626 4 2 -18.379389196478 6469335 CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2CCCC2 1 3.337 1 2 -6.41924861774073 6469333 CC1=NC(=CC=C1)NC(=O)NC2=CC=CC=C2C(=O)OC 1 2.049 3 3 -10.2318694869522 6469332 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)C 1 1.671 4 2 0 -10.2579609877739 6469329 COC1=CC=CC=C1CCNC(=O)NC2CCCCC2 1 3.116 2 2 -14.641457528605 6469323 CC1=CC=CC=C1NC(=O)NCCC2=CC=C(C=C2)Cl 1 4.001 2 1 -7.50187473685928 6469317 CC1=CC(=CC=C1)NC(=O)NC2=C(C=CC(=C2)C)OC 1 3.478 2 2 -4.9141093378164 6469310 C1=CC(=C(C=C1Cl)NC(=O)NCC2=CC=NC=C2)Cl 1 2.708 3 1 -4.23961017180134 6469294 CCCC1=CC(=CS1)C(=O)NC(C)C2CCCO2 1 2.705 1 2 -15.2643152988105 6469292 C=CCN1CCN(CC1)C(=O)C2=CC3=C(S2)CCCC3 1 3.154 2 1 -10.9541682813248 6469282 CCOC(=O)C1=C(N=C(S1)NC(=O)CN2CC(OC(C2)C)C)C 1 1.174 3 4 0 -16.6415923551219 6469260 CN1C(=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 1.124 4 3 0 -21.5718196022967 6469248 CC1=CC(=C(C=C1)C)C(C)NC(=O)C2CCCO2 1 2.64 1 2 -14.9881102284439 6469246 CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3)C 1 3.565 3 1 -3.20689038157968 6469244 CCN1CCC(CC1)NC(=O)NC2=CC=C(C=C2)F 1 1.611 3 1 0 -4.19497535447463 6469243 CC1=NN=C(S1)NC(=O)C23CC4CC(C2)(CC(C4)(C3)C)C 1 2.652 3 1 -10.3744824505578 6469232 CCC1=CC=C(C=C1)NC(=O)NC2=CC=NC=C2 1 2.314 3 1 -2.9595545514973 6469227 CC(C)N1C(=NN=C1SCC(=O)NC2=NN=CS2)C3CC3 1 1.338 6 1 0 -17.2378412955501 6469225 COC1=CC=CC(=C1)NC(=O)NC2=CC=CC=C2Br 1 3.254 2 2 -4.93711818592208 6469219 COC(=O)C1=CC=CC=C1NC(=O)NCC2=CC=NC=C2 1 1.234 3 3 0 -13.2516489098818 6469199 CCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.793 3 4 0 -3.75436796861458 6469196 CC1=CC(=CC=C1)CC(=O)NC2CCCCCC2 1 3.873 1 1 -6.3223730495659 6469195 CN1C(=NN=C1SCC(=O)OC)CCC2=CC=CC=C2 1 2.606 3 2 -15.6252673300963 6469189 COC1=CC=CC(=C1)NC(=O)N2CCC3(CC2)OCCO3 1 1.2 2 4 0 -7.73786509485427 6469181 CC1CC(CN(C1)C(=O)NC2=CC=CC=C2F)C 1 2.913 2 1 -7.9820364596471 6469175 C1CC2C(C(C1O2)C(=O)NC3=CC(=CC=C3)Br)C(=O)O 1 1.572 1 4 0 -1.79624154420153 6469170 CCCN1CCC(CC1)NC(=O)NC2=CC=CC3=CC=CC=C32 1 2.838 3 1 -6.12476814276695 6469168 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NN3C 1 1.741 4 3 0 -21.5559290353093 6469164 C1=CSC(=C1)CNC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 3.598 2 1 -6.56385756320245 6469143 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C=CC=N3 1 2.539 2 2 -3.24493548054345 6469137 CN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CC=N3 1 1.235 5 1 0 -14.9186724481923 6469136 C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)CC(=O)NCC3=CC=CC=C3 1 3.374 3 1 -5.97557114784023 6469111 CCC(C1=CC=C(C=C1)C)NC(=O)C2CCCC2 1 4.014 1 1 -3.96356351877914 6469107 C1CCN(C1)C(=O)NC2=C(C=CC(=C2)Cl)Cl 1 2.941 2 1 -2.91778942532219 6469092 CCOC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2)NC(=O)C 1 1.975 3 3 0 -10.7429260341433 6469080 CC1=NN(C=C1S(=O)(=O)NCCC2=CC(=C(C=C2)OC)OC)C 1 1.545 3 4 0 -7.76720725147216 6469077 C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=NC=CN=C2 1 2.089 4 1 -4.59294084955975 6469073 CC1=CC(=C(C=C1)NC(=O)NCC2=CC3=C(C=C2)OCO3)C 1 3.27 2 3 -10.2177191839919 6469065 CCC(C)C1=CC=C(C=C1)NC(=O)NCCN2CCCCC2 1 3.652 3 1 -6.33543605547335 6469050 CC1=C(C=CC=C1Cl)NC(=O)NCC2=CN=CC=C2 1 2.529 3 1 -6.98463085736661 6469048 C1CN(CCN1CC(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.868 3 3 0 -24.2258949646363 6469044 COC1=CC=CC(=C1OC)C(=O)NC2=CC3=C(C=C2)NN=C3 1 2.225 3 3 -7.68959797294283 6469041 CC(C1=CC(=CC=C1)OC)NC(=O)C2CCCO2 1 1.651 1 3 0 -14.3501621402983 6469029 C=CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=CC=N3 1 3.221 5 1 -18.9348904879332 6469019 CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3 1 3.615 3 2 -12.1579723840918 6469017 C1=CC(=C(C=C1Cl)Cl)NC(=O)NC2=NOC=C2 1 2.844 3 2 -2.90843734572089 6469007 CCC(CC)NC(=O)NC1=C(C=C(C=C1)F)F 1 3.13 2 1 -7.17490278906681 6468993 CC1=CC(=CC=C1)NC(=O)NC2=CC(=CC(=N2)C)C 1 3.166 3 1 -1.18503117578288 6468991 CC1=NN=C(N1CC=C)SCC(=O)NC2CC2 1 0.91 4 1 0 -21.5991550047512 6468977 CC1=C(C(=CC=C1)C(C)C)NS(=O)(=O)C2=CN(N=C2C)C 1 2.93 3 2 -2.56556563541078 6468972 CC1=CC(=C(S1)NC(=O)CSC2=NC=CC=N2)C(=O)OC 1 1.537 3 3 0 -10.9897447738935 6468971 CC1=CC=CC=C1CC(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 3.253 2 1 -5.46091759856614 6468969 CC(C1CCCO1)NC(=O)CCC2=CC=C(C=C2)OC 1 2.249 1 3 -17.2354919396842 6468967 CC12CC3CC(C1)(CC(C3)(C2)C(=O)NCC4=CN=CC=C4)C 1 2.774 2 1 -9.12762376634003 6468966 CC1=CC=C(O1)C(=O)NC(C)C2=CC=NC=C2 1 1.389 2 2 0 -5.63627661222592 6468965 CN1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)F)Cl 1 1.968 2 2 0 -3.57606433877718 6468945 CC1=CC=CC=C1NC(=O)NC2=CC=CC=C2C(=O)N 1 2.011 3 2 -9.05288682391515 6468925 CC1=C(C=CC(=C1)Br)NC(=O)C2C3CCC(C2C(=O)O)O3 1 2.058 1 4 -5.03533226355889 6468922 CC1=C(C=C(C=C1)Cl)NC(=O)C2C3CCC(C2C(=O)O)O3 1 1.974 1 4 0 -2.19233103637658 6468919 CC(=O)N1CCN(CC1)C23CC4CC(C2)CC(C4)C3 1 1.679 2 1 0 -6.6713675570845 6468911 C1CC2CC1C(C2C(=O)O)C(=O)NCCC3=CC=CC=C3 1 2.265 1 3 -9.51515790847782 6468901 CCCNC(=O)NC1=CC=CC(=C1)NC(=O)C 1 0.939 3 2 0 -11.0356434275558 6468900 CCOC1=CC=CC=C1NC(=O)NCC2=CC=CO2 1 2.043 2 3 -12.1961326430687 6468887 COC1=CC=C(C=C1)NC(=O)NCCN2CCCCC2 1 1.985 3 2 0 -6.63834763980905 6468882 C1CN(CCN1C(=O)C2=C(C=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3 1 2.698 2 3 -16.9434869927983 6468881 CC(=O)N1CCC(CC1)C(=O)NC2=CC3=C(CCC3)C=C2 1 1.893 2 2 0 -6.26410245585125 6468878 CCOC(=O)C1=C(N=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3)C 1 2.361 4 3 0 -8.54384620947967 6468857 C1OC2=C(O1)C=C(C=C2)NC(=O)NCCC3=CC=C(C=C3)F 1 2.824 2 3 -7.87663436632139 6468853 CC1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)CCC(=O)O 1 1.914 2 4 0 -24.9314441418158 6468850 C1=CC=NC(=C1)CNC(=O)NC2=CC=C(C=C2)Br 1 2.342 3 1 -6.33246206859943 6468849 CC1=C(C=C(C=C1)OCC(=O)N2CCCCCCC2)C 1 3.881 1 2 -6.45019041364256 6468841 CN1CCCN(CC1)C(=O)C2=CC=C(C=C2)Cl 1 1.928 2 1 0 -0.772426125019931 6468832 C1CC(OC1)C(=O)N2CCN(CC2)C(=O)NC3=CC(=CC(=C3)Cl)Cl 1 2.03 3 3 -16.4646681486939 6468811 CC1=CC2=C(C=C1)N(CCC2)C(=O)CC3=CC=CC=C3OC 1 3.856 1 2 -10.6547606569648 6468809 C1CC2=C(C1)C=C(C=C2)NC(=O)NC3=C(C=C(C=C3)F)F 1 3.99 2 1 -6.74715590840825 6468786 C1=CC(=CN=C1)CNC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 2.708 3 1 -6.01311770296502 6468780 COC1=CC=CC=C1CC(=O)NC2=CC3=C(C=C2)NN=C3 1 2.276 3 2 -8.43746007785966 6468778 CC(C1CCCO1)NC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3 1 3.128 1 3 -9.4549611571891 6468773 CCCN1CCC(CC1)NC(=O)CC2=CC=CC(=C2)C 1 2.542 2 1 -3.83419105784341 6468769 CCN1C=CC(=N1)C(=O)NC2=C(SC=C2)C(=O)OC 1 1.85 3 3 0 -13.5888046990699 6468768 CC1=C(C=C(C=C1)NC(=O)NC2=NC=CN=C2)C 1 1.733 4 1 0 -3.62658186101645 6468758 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NOC=C2 1 1.72 3 4 0 -8.03612498979203 6468754 C=CCN1CCN(CC1)C(=O)CCCC2=CC=CC=C2 1 2.765 2 1 -9.70564588905838 6468750 C1=CC(=CC=C1CC(=O)NC2=CC3=C(C=C2)NN=C3)F 1 2.498 3 1 -5.016630855718 6468745 C1CCC(C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CCC(=O)O 1 2.575 2 4 -23.2516972336125 6468742 C1CC2C(C(C1O2)C(=O)NC3=CC(=C(C=C3)F)F)C(=O)O 1 1.235 1 4 0 -2.41911889380891 6468739 COC1=CC=CC(=C1)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3 1 2.576 3 2 -5.75012095397208 6468738 C1CCCN(CCC1)C(=O)COC2=CC=CC=C2Cl 1 3.573 1 2 -6.84441542266499 6468734 CC1=NN(C=C1S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C 1 2.173 4 2 -3.29903344882685 6468720 CCC1=NN=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)F 1 2.104 5 1 -8.83462309407509 6468713 CC1=CC(=C(C=C1)C)C(C)NC(=O)CC2=CC=CS2 1 3.959 1 1 -12.1054756856975 6468708 CCCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3CC3 1 3.292 4 1 -18.4931681472593 6468701 CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C(=O)C3CCCO3)C(=O)OCC 1 1.309 3 5 0 -25.7546667838922 6468699 CN1C(=NN=C1SCC(=O)NC2=NN=CS2)C3CC3 1 0.612 6 1 0 -16.6333904316209 6468690 CCC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)F 1 3.67 2 1 -4.71164676009279 6468689 CN1C(=CC=N1)C(=O)N2CCC(CC2)CC3=CC=CC=C3 1 2.842 3 1 -7.20530008446625 6468687 CC1=CC=CC=C1NC(=O)CN2CCC3=CC=CC=C3C2 1 3.1 2 1 -11.0352471821127 6468675 CC(C1=NN=C(N1C)SCC(=O)NC2CC2)OC3=CC=CC=C3 1 2.277 4 2 -17.1927722639491 6468668 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=NOC(=C2)C 1 2.428 2 3 -11.9495669745592 6468666 COC1=CC=CC=C1NC(=O)NCC2=CC=CC=C2F 1 2.718 2 2 -10.7573917395163 6468665 CC1=C(C=C(C=C1)NC(=O)NCCN2CCCCC2)C 1 2.974 3 1 -6.47329624530502 6468661 CC(C1=CC=NC=C1)NC(=O)C23CC4CC(C2)(CC(C4)(C3)C)C 1 3.152 2 1 -6.69307645692761 6468651 CC(C)CN(CC(C)C)C(=O)NC1=C(C=C(C=C1)F)F 1 3.946 2 1 -5.20316453458967 6468650 C1CCCN(CCC1)C(=O)COC2=CC(=C(C=C2)F)Cl 1 3.778 1 2 -5.31296307950988 6468649 COC1=CC=CC=C1CC(=O)NC2=NOC=C2 1 1.626 2 3 0 -8.6115465214039 6468644 CC1=CC=C(C=C1)C2=NC(=CS2)CNC(=O)C3=CC=CO3 1 3.098 2 2 -5.01778543306107 6468642 CCC1=CC=CC=C1NC(=O)N2CCC3=CC=CC=C32 1 3.745 2 1 -10.2318137846247 6468639 CC1=CC=CC=C1CC(=O)N2CCOCC2 1 1.452 1 2 0 -10.9741772455813 6468634 CN1CCC(CC1)NC(=O)NC2CCCCC2 1 1.338 3 1 0 -3.1347673606918 6468617 CCN(CC1=CC=NC=C1)C(=O)C2=CC=C(O2)C 1 1.566 2 2 0 -6.78176128527241 6468604 CC1=C(CC(C(C1)C(=O)NCCC2=CC=C(C=C2)F)C(=O)O)C 1 3.243 1 3 -6.54048349820349 6468602 CCOC1=CC=CC=C1NC(=O)NC2=C(C=CC(=C2)C(=O)O)C 1 2.971 2 4 -11.8160609973397 6468586 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=CC=N2 1 2.115 3 3 -6.50108758280208 6468582 CC1=CC(=C(C=C1)F)NC(=O)NC2=CC(=C(C=C2)OC)OC 1 3.181 2 3 -8.40277356212023 6468574 CCN1C(=C(C=N1)S(=O)(=O)NCC2=CC=CO2)C 1 0.65 3 3 0 -7.88020756111722 6468532 CCOC1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2 1 1.711 3 2 0 -8.19512618189852 6468527 CCCCNC(=O)N1CCN(CC1)CC2=CC(=CC=C2)F 1 2.65 3 1 -5.60335764535487 6468523 CCOC(=O)CC1=CSC(=N1)NC(=O)CN2CCCCC2 1 1.538 3 3 0 -11.1906631813384 6468522 CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CN3CCOCC3)C 1 2.56 3 2 -0.795672370309994 6468521 C1CCN(C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl 1 2.941 2 1 -4.12073025138121 6468517 C1CC2C(C(C1O2)C(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)O 1 1.694 1 4 0 -1.35649519123655 6468487 C1C2C=CC1C(C2C(=O)NCC3=CC=CC=C3F)C(=O)O 1 1.705 1 3 0 -8.85489356246486 6468486 CCC(C)C1=CC=C(C=C1)NC(=O)NC2=NC=CN=C2 1 2.411 4 1 -3.48872167118478 6468485 COC1=CC=CC(=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C 1 0.143 3 4 0 -16.9510787686507 6468481 C1=CC(=CN=C1)NC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 2.701 3 1 -2.00495515699974 6468478 COC1=CC=CC=C1CC(=O)NCCN2CCCCC2 1 2.112 2 2 -11.3307261898104 6468464 C1CCC(C1)NS(=O)(=O)C2=C(C=CC(=C2)F)F 1 2.554 1 2 -7.80806236112188 6468456 COC1=C(C=C(C=C1)NC(=O)NCCC2=CC(=CC=C2)Cl)OC 1 3.482 2 3 -8.67535417425949 6468441 CCC(C)NC(=O)NC1=C(C=C(C=C1)C)C 1 3.168 2 1 -13.3939878890375 6468437 CN1CCCN(CC1)C(=O)C2=CC(=CC=C2)Cl 1 1.928 2 1 0 0.206410365012826 6468426 CCN1C=C(C=N1)S(=O)(=O)N2CCC3=CC=CC=C3C2 1 1.603 3 2 0 -15.2181992036461 6468424 C1C2C=CC1C(C2C(=O)NCC3=CC(=CC=C3)Cl)C(=O)O 1 2.164 1 3 -5.29517120996603 6468409 CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC=CC=N2)C 1 1.525 4 3 0 -15.8609257469618 6468408 CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.971 2 2 -8.08026845618024 6468406 CN1C(=NN=C1SCC(=O)NC2CC2)COC3=CC=C(C=C3)F 1 1.998 4 2 0 -16.3350517508822 6468404 CCCN1CCN(CC1)C(=O)NC2=CC=C(C=C2)OCC 1 2.314 3 2 -4.3274227356314 6468397 CC1=C(SC(=N1)NC(=O)CSC2=NCCS2)C(=O)N(C)C 1 1.481 4 2 0 -19.5038078382698 6468388 CN1C(=CC=N1)C(=O)N2CCN(CC2)C3=CC=CC=C3Cl 1 2.479 4 1 -6.22952310246457 6468384 CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=CC=C2Cl 1 3.872 3 2 -9.55173937988138 6468378 CC1=NN(C=C1S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3Cl)C 1 2.084 4 2 -8.22476586332096 6468372 CCC1=CC=C(C=C1)C(C)NC(=O)C2CCCC2 1 3.947 1 1 -4.16748140298546 6468358 CC12CC3CC(C1)(CC(C3)(C2)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5)C 1 2.824 2 3 -2.91366274779327 6468347 CC(C)N1C(=NN=C1SCC(=O)NC2=NN=CS2)C3=CC=CO3 1 1.64 6 2 0 -13.9384218902671 6468346 C=CCN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CC=NC=C3 1 2.336 5 1 -17.7771629180768 6468325 CN1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)F)F 1 1.51 2 2 0 -3.92167850279605 6468314 CSC1=CC=CC=C1NC(=O)NC2=CC=CC=C2Cl 1 3.729 2 1 -8.76373361890013 6468313 CC(C1CCCO1)NC(=O)C2=C(C=NN2C)Cl 1 1.38 3 2 0 -12.3392701952742 6468311 COC1=CC=CC(=C1)NC(=O)NC2CCCC3=CC=CC=C23 1 3.529 2 2 -4.18638994690165 6468301 C=CCN1CCN(CC1)C(=O)CSC2=CC=CC=C2 1 2.211 2 1 -8.8212028547801 6468273 CC1=C(C=CC(=C1)OC)NC(=O)C2C3CCC(C2C(=O)O)O3 1 1.294 1 5 0 -5.92260895675262 6468272 CN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CS3 1 1.911 4 1 0 -17.1001911982202 6468253 CN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CC=CC=N3 1 2.148 5 1 -14.4050662680252 6468250 CC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)N3CCCCC3 1 3.466 2 2 -9.84717906193434 6468231 CC1CCC(CC1)NC(=O)NC2=CC=CC=C2C(=O)OC 1 2.911 2 3 -16.9876697390353 6468225 CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C(=O)C3CCCO3)C(=O)OC 1 0.293 3 5 0 -20.7409984199625 6468224 CSC1=CC=CC=C1NS(=O)(=O)C2=CC=CC3=NON=C32 1 2.429 3 3 -7.59892281818047 6468221 CC1=CC=C(O1)C(=O)NC(C)C2CCCO2 1 1.315 1 3 0 -11.0148315550192 6468217 C1CC2=C(C1)C=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4 1 3.348 2 3 -8.8765125032543 6468212 CC1=CC(=CC(=C1)NC(=O)NCC2=CC=C(C=C2)OC)C 1 3.485 2 2 -5.29477762861126 6468209 C1=CC(=CC=C1CC(=O)O)NC(=O)NC2=CC=C(C=C2)Br 1 2.935 2 3 -5.64727560880126 6468208 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CO3)C 1 2.642 2 3 -8.15703227859362 6468205 CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=NC=C2 1 1.842 3 2 0 -6.11674913856145 6468204 C1CN(CCN1C(=O)CCC(=O)O)S(=O)(=O)C2=CC=CS2 1 -0.205 2 5 0 -22.8971644011718 6468194 CC1CN(CC(O1)C)CC(=O)NC2=NC3=CC=CC=C3S2 1 2.024 3 2 -7.02744133647874 6468193 CCC1=NOC(=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C 1 2.198 3 4 0 -27.3870458306891 6468184 COC1=CC=CC(=C1)NC(=O)NC2=NC=C(C=C2)Br 1 2.643 3 2 -4.88098709271353 6468180 CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3 1 1.369 3 5 0 -9.77263583452946 6468133 CC1=CC(=CC(=C1)NC(=O)NC2=NC=C(C=C2)Cl)C 1 3.548 3 1 -1.12363252196272 6468135 CCCNC(=O)NC1=CC=C(C=C1)C(F)(F)F 1 2.761 2 1 -4.42253234107442 6468137 CCOC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3CCCO3 1 0.838 3 4 0 -22.6676803645038 6468179 CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.222 3 3 -19.274513207367 6468172 C1CN(CCN1CC(=O)NC2=NC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)F 1 1.799 4 3 0 -16.0454897292813 6468169 CC1=NN=C(S1)NC(=O)CN2CCN(CC2)CC3=C(C=C(C=C3)F)Cl 1 2.101 5 1 -7.7108639389746 6468167 C1CC1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 0.453 3 3 0 -22.2094391794389 6468158 CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.641 4 2 0 -11.6986664937801 6468155 CCOC1=CC=C(C=C1)NC(=O)NC2=NC=CN=C2 1 1.093 4 2 0 -4.5578564072285 6468152 C1CN(CCN1CC2=CC=CO2)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.642 3 4 0 -5.87390409151619 6468128 COC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C(=O)N3CCCCC3 1 2.837 3 3 -12.081328373314 6468123 CCN1C(=NN=C1SCC(=O)NC2CC2)CC3=CC=C(C=C3)OC 1 2.325 4 2 -18.946876718959 6468116 C1CN(CCN1CC2=CC=C(C=C2)F)CC(=O)NC3=NC4=CC=CC=C4S3 1 3.328 4 1 1.69110897548171 6468112 CN1CCC(CC1)NC(=O)NC2=CC=C(C=C2)Br 1 1.805 3 1 0 -2.54379598867308 6468110 C1CCN(CC1)CCNC(=O)NC2=CC=C(C=C2)Br 1 2.75 3 1 -5.86004248517953 6468106 CC1=C(C=CC=C1Cl)NC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.579 3 3 -4.65942739113097 6468104 CC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 0.255 3 4 0 -20.1126039770129 6468097 C1=CC=C(C=C1)C#CC(=O)NC2=CC=C(C=C2)F 1 3.41 1 1 3.72662173986218 6468094 CCC1=CC(=CS1)C(=O)NC(C)C2CCCO2 1 2.248 1 2 -16.5497530271696 6468093 CCN1C(=C(C=N1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)C)C 1 2.612 3 2 -2.57915124274379 6468083 CN1C(=CC=N1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 1.673 4 1 0 -7.74633861488162 6468080 CCCCNC(=O)N1CCN(CC1)C2=CC=CC=C2OC 1 2.517 3 2 -9.61790601624355 6468078 CC(C1CCCO1)NC(=O)C2=CC=C(O2)Br 1 1.737 1 3 0 -13.5209367798082 6468077 CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)NN=C3 1 3.211 3 1 -9.60631396244401 6468067 CCN1C(=NN=C1SCC(=O)NC2CC2)C3=CSC(=C3)C 1 2.114 4 1 -16.0964950653462 6468066 CCOC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)NN=C3 1 2.59 3 2 -7.37209845668163 6468051 C1=CC=C(C(=C1)C(=O)N)NC(=O)NC2=CC=CC=C2Cl 1 2.189 3 2 -6.48752977649672 6468025 CC1=C(CC(C(C1)C(=O)NC2CCN(CC2)C(C)C)C(=O)O)C 1 -1.065 2 3 0 -7.16548547659028 6468022 CC1=CC(=CC(=C1)OCC2=NN=C(N2C)SCC(=O)NC3CC3)C 1 2.765 4 2 -17.3703360424694 6468012 CCOC1=CC=CC=C1NC(=O)NC2=NOC=C2 1 1.848 3 3 0 -9.06592240259928 6468008 CC1=NN(C=C1S(=O)(=O)NC2CCCC2)C 1 1.075 3 2 0 -6.70036117383317 6468005 CC(C)C1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)F)F 1 4.128 2 1 -3.62418317518665 6468001 CCOC1=CC=C(C=C1)NC(=O)NC2=NC=C(C=C2)Br 1 2.992 3 2 -6.00391563910922 6467997 COC1=CC=CC=C1NC(=O)N2CCCC2 1 1.596 2 2 0 -8.35418469741826 6467995 CC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCO3)F 1 2.982 2 3 -3.51894164695388 6467994 CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC(=CC=C2)OC 1 2.976 2 3 -5.72678466198988 6467973 CCN1C=CC(=N1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 1.816 3 3 0 -13.9532512369047 6467963 CC1=CC2=C(C=C1)N(CCC2)C(=O)NC3CCCCC3 1 4.027 2 1 -10.1317859973511 6467959 CCN1C=C(C=N1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)F 1 2.186 3 2 -1.95255195165157 6467955 CC(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.93 3 3 -18.9910535107154 6467951 CCOC1=CC=CC=C1NC(=O)C2C3CCC(C2C(=O)O)O3 1 1.156 1 5 0 -6.94199873568686 6467948 CN1CCCN(CC1)C(=O)C2=CC=C(S2)Cl 1 1.676 2 1 0 -1.34911785432489 6467947 CN1C(=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.133 4 3 0 -23.5073490751156 6467940 CCCN(CCC)C(=O)NC1=C(C=CC(=C1)Cl)OC 1 3.545 2 2 -4.57627058832833 6467924 CCN1CCN(CC1)CC(=O)NC2=NC(=C(S2)C(=O)N(C)C)C 1 0.247 5 2 0 -10.9406459414223 6467918 CN1CCCN(CC1)C(=O)CSC2=CC=CC=C2 1 1.657 2 1 0 -4.72994775640541 6467910 C1CCCN(CCC1)C(=O)COC2=CC=CC=C2 1 2.908 1 2 -6.75251244044566 6467909 CC1=CC=CC=C1CC(=O)NC2=NOC(=C2)C 1 2.274 2 2 -15.9474500143521 6467900 CN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CC=C3Cl 1 2.622 4 1 -14.1933563865736 6467892 CCN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl 1 2.15 4 2 -9.61513531494604 6467888 CC(C)(C)NC(=O)NC1=CC=C(C=C1)Br 1 2.625 2 1 -7.9416605258594 6467880 CC1=C(C=C(C=C1)Cl)NC(=O)NCCN2CCCCC2 1 3.152 3 1 -6.92791805271895 6467878 CC1=C(C(=CC=C1)OC(C)C(=O)NC(C)C2CCCO2)C 1 3.066 1 3 -12.4362865493092 6467872 CC1=CC(=C(C=C1)S(=O)(=O)N2CCC3(CC2)OCCO3)C 1 1.984 1 4 0 -11.9555927736571 6467868 CCCN1CCN(CC1)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.924 3 1 0.999279911638346 6467856 CC1CCC2=C(C1)C=C(S2)C(=O)NC(C)C3CCCO3 1 3.362 1 2 -15.4634863650621 6467850 CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C(F)(F)F 1 3.951 2 1 -2.27214800069418 6467849 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC3(CC2)OCCO3 1 1.984 1 4 0 -13.8921285546708 6467847 CCC1=CC(=CS1)C2=NN=C(N2C)SCC(=O)NC3CC3 1 2.432 4 1 -16.9001588259267 6467846 CC1=CC=CC=C1CN2CCN(CC2)CC(=O)NC(C)C3=CC=CC=C3 1 3.367 3 1 -8.110784841649 6467841 CCCN(CCC)C(=O)NC1=C(C=C(C=C1)F)F 1 3.308 2 1 -3.88501356221983 6467836 C1CN(CCN1CC2=CSC(=N2)C3=CC=CC=C3Cl)C(=O)C4=CC=CO4 1 3.44 3 2 1.45606868876348 6467830 CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 2.399 3 3 -16.4489762641282 6467826 CCCN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C)C3CC3 1 1.745 6 1 0 -21.2993544287119 6467820 CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CO3 1 3.068 2 3 -11.5653371689651 6467814 COC1=CC=C(C=C1)NC(=O)N2CCC3(CC2)OCCO3 1 1.2 2 4 0 -8.09457048954194 6467813 CC1=CC=CC=C1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.21 3 3 -20.3414209878779 6467810 CCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC(=CC=C3)OC 1 2.29 4 2 -13.1358755359219 6467807 CC1CN(CC(O1)C)CC(=O)NCC2=CC=CC=C2 1 1.406 2 2 0 -14.6661256690462 6467803 CC1=CC=CC=C1CC(=O)NC2=NOC(=C2)C(C)(C)C 1 3.82 2 2 -12.6888917470126 6467784 CN1C(=C(C=N1)Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl 1 1.679 4 3 0 -14.3361810247069 6467767 CCN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)F 1 1.692 4 2 0 -10.9008794837173 6467748 CC(=O)NC1=CC(=CC=C1)NC(=O)NC2=CC=CC=C2OC 1 1.626 3 3 0 -9.9496752852633 6467745 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCCN(CC2)C 1 2.26 2 4 -9.36300195593628 6467735 CCC(C1=CC=CC=C1)NC(=O)NC2CCCCC2 1 3.712 2 1 -9.9345758780305 6467732 CCC(CC)NC(=O)NC1=CC=C(C=C1)C 1 3.206 2 1 -6.35773160229554 6467727 COC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=N2)OC 1 1.878 3 3 0 -7.40879942327794 6467717 COC1=C(C=C(C=C1)Cl)NC(=O)NCC=C 1 2.211 2 2 -10.054753512582 6467714 CCC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OCO3 1 3.233 2 3 -4.57538389041151 6467697 CN1C(=CC=N1)C(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.02 4 1 -6.36420045774758 6467692 COC1=CC=CC(=C1)NC(=O)NCCN2CCCCC2 1 1.985 3 2 0 -6.28164224512138 6467687 CC(C)(C)NC(=O)NC1=C(C(=CC=C1)Cl)Cl 1 3.206 2 1 -9.52127327452819 6467686 CC1=C(C=CC(=C1)F)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.137 3 2 -3.03386577861472 6467681 C1CC1NC(=O)NC2=CC(=C(C=C2)F)Cl 1 2.305 2 1 -4.77003832900288 6467675 C1CC2CCC1C(C2C(=O)O)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)F 1 -0.266 2 3 0 -0.279157419682399 6467670 CCC(C(=O)N1CCCN(CC1)C)OC2=CC=CC=C2C 1 2.593 2 2 -7.69522167783182 6467666 CC1=NN=C(N1C)SCC(=O)NC2CCCCCC2 1 2.118 4 1 -16.9111486738204 6467663 C1CN(CCN1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.809 2 2 -11.9417452854781 6467659 CC1=C(CC(C(C1)C(=O)NC2=NC=CS2)C(=O)O)C 1 1.706 2 3 0 -5.50615153937224 6467641 CC1=CC=C(C=C1)CC(=O)NC2CCN(CC2)C 1 1.669 2 1 0 -4.00252380738831 6467640 CCOC(=O)C1=C(SC(=C1)C)NC(=O)CSC2=NCCS2 1 2.632 2 3 -16.2798092249641 6467636 COC1=CC(=C(C=C1)NC(=O)NCC2=CC=CC=N2)OC 1 1.561 3 3 0 -12.3937181431949 6467632 CCC1=NN=C(S1)NC(=O)CN2CCCC(C2)C 1 1.594 4 1 0 -12.7786455039203 6467624 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.632 3 5 0 -10.4660245908783 6467618 CC1CN(CC(O1)C)CC(=O)NC2=NC=C(C=C2)Br 1 1.536 3 2 0 -11.8849428036995 6467616 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=NON=C32 1 1.887 3 3 0 -2.06225103532687 6467613 CCC(C(=O)N1CCCCCCC1)OC2=CC=C(C=C2)F 1 4.122 1 2 -7.99787984092786 6467610 COC1=CC=CC=C1NC(=O)NC2=CC=CC=C2Br 1 3.254 2 2 -8.14356678919743 6467605 CC1=CC(=C(C=C1)OC)NC(=O)N2CCCC3=CC=CC=C32 1 3.729 2 2 -8.80996546736722 6467596 CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3 1 3.069 2 2 -11.3591141523539 6467592 CC1=C(SC(=N1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3OC)C(=O)N(C)C 1 1.554 5 3 0 -9.2848317772141 6467580 CC1=CC(=C(C=C1)NC(=O)NC2=CC=CC(=N2)C)C 1 3.166 3 1 -5.97775473820061 6467579 C1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F 1 3.173 2 2 -9.57223124830752 6467578 CCOC(=O)CC1=CSC(=N1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3 1 2.25 4 3 0 -7.86921621554693 6467575 CN1CCC(CC1)NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 2.709 2 2 -1.24838503855909 6467574 COC1=CC=C(C=C1)NC(=O)NCCC2=CCCCC2 1 3.257 2 2 -9.53236033940268 6467567 CC1CC(CN(C1)C(=O)NC2=CC=C(C=C2)Br)C 1 3.456 2 1 -6.58749186972953 6467566 C1CCCN(CC1)CC(=O)NC2=NC=C(C=C2)Br 1 2.466 3 1 -7.10864362384875 6467563 CCC1=NN=C(S1)NC(=O)CN2CCN(CC2)CC 1 0.664 5 1 0 -12.9010369668884 6467529 CCC1=CC=C(S1)C(=O)N2CCCN(CC2)C 1 2.029 2 1 -6.04362762121055 6467519 CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.041 2 3 -10.1443087380392 6467513 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)C3=CC=CC=N3 1 1.319 6 1 0 -13.026388295394 6467503 C1CC(OC1)CNC(=O)NC2=CC3=C(C=C2)OCO3 1 1.073 2 4 0 -12.8023769561659 6467496 COC1=CC(=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3)OC 1 1.591 3 5 0 -14.6865883797153 6467494 C1CC(=O)N(C1)CCCNS(=O)(=O)C2=CC=C(S2)Br 1 0.811 2 3 0 -19.2513394290352 6467490 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C3CCCO3 1 0.71 3 5 0 -22.7651217766256 6467483 CC(C)C1=CC=CC=C1OCC(=O)N2CCCCCCC2 1 4.103 1 2 -7.16565361669639 6467470 COC1=CC=CC(=C1)NC(=O)NCC2=CC=CC=C2F 1 2.718 2 2 -6.08368021100083 6467463 COC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3 1 0.35 5 3 0 -7.17669518229614 6467461 C1CC2CN(CCN2C1)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.058 2 2 -6.97270286069525 6467460 CC(C)N1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)C3CC3 1 3.07 4 1 -13.0381520761385 6467458 CC1=CC=CC=C1CC(=O)NC2CCCCCC2 1 3.873 1 1 -9.57760310482554 6467447 CCCN1CCC(CC1)NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 3.581 2 2 -2.36043166713224 6467438 CN1CCCN(CC1)C(=O)COC2=CC=C(C=C2)Br 1 1.847 2 2 0 -3.65636828180695 6467436 CCOC1=CC=CC=C1NC(=O)NCCC2=CCCCC2 1 3.606 2 2 -14.5715984516229 6467434 CC1=NN(C=C1S(=O)(=O)NC2=CC=CC=C2Br)C 1 1.998 3 2 0 -1.85526207516883 6467424 COC1=CC(=C(C=C1NC(=O)CN2CCN(CC2)C(=O)C3CCCO3)OC)Cl 1 1.137 3 5 0 -24.4128494411248 6467394 CC1=CC=CC(=C1)C2=NC(=CS2)CN3CCN(CC3)C(=O)C4CCCO4 1 2.535 3 2 -7.0973896099435 6467381 CC1=CC=CC=C1CC(=O)NC2=CC3=C(CCC3)C=C2 1 4.192 1 1 -10.1898017556616 6467380 C1CN(CCN1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.014 2 2 -10.0408271587284 6467378 CCCCNC(=O)N1CCN(CC1)CC2=CC=C(C=C2)F 1 2.65 3 1 -6.33425969062465 6467371 CC(C1=CC=CC=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)OC 1 2.953 3 2 -6.18658830262486 6467368 CC1=CC(=C(C=C1)OC)NC(=O)N2CCC3(CC2)OCCO3 1 1.686 2 4 0 -9.85219545800331 6467358 C1CC(OC1)C(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl 1 2.113 3 3 -14.5905670149247 6467357 CC1=C(C=C(C=C1)NC(=O)NC2=NC=CN=C2)Cl 1 1.911 4 1 0 -2.94681119246761 6467356 CC1=C(C=CO1)C2=NN=C(N2C(C)C)SCC(=O)NC3CC3 1 1.933 4 2 0 -15.8724766625408 6467355 CCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.929 3 1 -0.660167548506785 6467354 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CCC(=O)O 1 2.282 1 5 -15.8564677226604 6467346 C1=CC(=CC=C1C(=O)O)NC(=O)NC2=C(C=C(C=C2)F)F 1 2.563 2 3 -4.95848219061649 6467343 CC1=C(SC(=N1)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)OC)C(=O)N(C)C 1 1.554 5 3 0 -6.36108413576342 6467341 CC1=NN(C=C1S(=O)(=O)NC2=NC=CC=N2)C 1 -8.e-003 5 2 0 -5.65529497903142 6467336 C=CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CN=CC=C3 1 2.792 5 1 -19.5940894571587 6467306 CC1=CC=C(C=C1)OCC(=O)N2CCCCCCC2 1 3.395 1 2 -6.26427842847686 6467302 CC1=CC(=C(C=C1)C(C)NC(=O)C2CCCC2)C 1 3.977 1 1 -5.22271143052405 6467288 COC1=CC=C(C=C1)S(=O)(=O)N2CCN3CCCC3C2 1 1.377 2 3 0 -9.20766776042621 6467280 C=CCN1CCN(CC1)C(=O)CCC2=CC=CC=C2 1 2.309 2 1 -9.47474936034968 6467277 C1CCC(C(C1)C(=O)NC2C3CC4CC(C3)CC2C4)C(=O)O 1 2.942 1 3 -3.38737117487644 6467262 CCC(CC)(C#C)NC(=O)NC1CCCCC1 1 4.05 2 1 -11.1012464627808 6467249 COC1=CC(=C(C=C1)NC(=O)NC2=NOC=C2)OC 1 1.483 3 4 0 -9.30963521034506 6467240 C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=CC=CO3 1 3.122 2 2 2.87865790409045 6467239 CCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CC=N3 1 1.584 5 1 0 -15.7028211234427 6467232 C1CN(CCN1CC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.547 3 3 0 -24.8174484765021 6467231 CC1=CC(=CC=C1)CC(=O)NC2=NOC=C2 1 2.128 2 2 -4.62221494660943 6467230 CC(C(=O)N1CCCN(CC1)C)OC2=CC=CC=C2Cl 1 2.247 2 2 -8.66777725196724 6467229 CCCN1CCC(CC1)NC(=O)C2CCN(CC2)C(=O)C 1 0.243 3 2 0 -5.71084163521043 6467227 CC1=CC(=CC=C1)CC(=O)NC2=CN=CC=C2 1 1.985 2 1 0 -4.01454653776237 6467226 C1CCN(CC1)CCNC(=O)NC2=CC=CC=C2Cl 1 2.666 3 1 -7.35195598416781 6467215 COC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C3CCCO3)OC 1 0.473 3 5 0 -22.9113931722496 6467214 CC1=CC=CC=C1CC(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3 1 3.01 2 2 -11.4675612249078 6467211 CC(C)C1=CC=C(C=C1)C(C)NC(=O)C2CCCC2 1 4.199 1 1 -3.52357890229631 6467207 COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)NN=C3)OC 1 2.225 3 3 -10.2831679772106 6467204 CC(C)NC(=O)NC1=C(C=C(C=C1)Br)Cl 1 3.085 2 1 -8.55797737844749 6467202 C1CN(CCN1CC2=C(C=CC=C2Cl)Cl)C(=O)C3=CC=CO3 1 3.508 2 2 -3.21794637780942 6467201 CC1=CC(=CS1)C2=NN=C(N2C(C)C)SCC(=O)NC3CC3 1 2.491 4 1 -15.9062594365998 6467189 CCC1CCC2=C(C1)C=C(S2)C(=O)N3CCCN(CC3)C 1 3.308 2 1 -4.98852593345863 6467183 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC=NN3C 1 2.072 3 3 -14.7146794544286 6467181 CC1=NN=C(N1CC=C)SCC(=O)NC2=NC=CS2 1 0.994 5 1 0 -19.8260242461749 6467179 CCOC1=CC=CC=C1NC(=O)NC(C)C2=CC=NC=C2 1 2.089 3 2 -12.2347231768485 6467167 COC1=CC(=C(C=C1)S(=O)(=O)NC2CCCC2)OC 1 2.11 1 4 -8.07193707183737 6467142 CC12CC3CC(C1)(CC(C3)(C2)C(=O)N4CCN(CC4)C(=O)C5CCCO5)C 1 2.097 2 3 -14.3375323322472 6467137 CC1=CC(=NC=C1)NC(=O)NC2=CC=CC=C2C(=O)OC 1 2.252 3 3 -9.70058160801947 6467130 CC1=C(N=CC=C1)NC(=O)NC2=CC=CC=C2C(=O)OC 1 2.252 3 3 -10.9694003794046 6467126 CCC(C1=CC=CC=C1)NC(=O)C2CCCO2 1 2.191 1 2 -15.0660153903906 6467115 CCC1CCC(CC1)NC(=O)NC2=CC(=CC=C2)OC 1 3.496 2 2 -9.49458905122566 6467110 C1CC(=O)N(C1)CCCNS(=O)(=O)C2=CC=CC=C2 1 0.457 2 3 0 -19.5412834568189 6467107 CC(C1=CC=C(C=C1)OC)NC(=O)C2CCCC2 1 2.988 1 2 -4.34100947635052 6467102 C1CN(CCC12OCCO2)C(=O)C3=C(C=C(C=C3)F)Cl 1 2.178 1 3 -5.35057806582908 6467094 C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC(=C(C=C3)F)F 1 1.109 4 2 0 -10.5395462228999 6467087 CC1=CC(=C(O1)C)C(=O)NC(C)C2CCCO2 1 1.169 1 3 0 -14.9511662706248 6467085 C1=CC=C(C=C1)C#CC(=O)NC2=CC=C(C=C2)C(=O)N 1 2.207 2 2 -1.05309011751037 6467082 CCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CC=C3OCC 1 2.639 4 2 -17.703702051978 6467078 COC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)F)Cl 1 3.635 3 2 -1.42810767036082 6467072 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3CCCO3 1 0.489 3 4 0 -21.8744296156238 6467071 CC1=CC=CC=C1CC(=O)N2CCCC3=CC=CC=C32 1 3.872 1 1 -10.4511111186335 6467046 CC1=CC=CC=C1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.94 2 4 0 -22.8727372656795 6467041 CCC(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3CCCO3 1 2.352 3 3 -17.5021079745656 6467040 CC(C1CCCO1)NC(=O)NC2=CC=C(C=C2)Cl 1 2.347 2 2 -9.68397793638101 6467033 CCN1CCC(CC1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.348 3 1 -0.541039790315145 6467026 C=CCN1C(=NN=C1SCC(=O)NC2CC2)C3CC3 1 1.668 4 1 0 -20.8369160926527 6467017 COC1=CC(=C(C=C1)S(=O)(=O)N2C=CC=C2)OC 1 2.248 1 4 -5.8382782554481 6467010 CN1C(=CC=N1)C(=O)NC2=C(SC=C2)C(=O)OC 1 1.364 3 3 0 -14.1251174447552 6467008 C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=CC(=C3)C4=NNN=N4 1 3.129 5 1 -3.06267672365551 6467005 CCCN1CCC(CC1)NC(=O)NC2=CC=C(C=C2)Br 1 2.678 3 1 -3.65584261724623 6466991 C1CC1NC(=O)NC2=C(C=C(C=C2)Br)Cl 1 2.848 2 1 -5.61851768046734 6466990 COC1=CC(=CC(=C1OC)OC)NC(=O)NC2=CC3=C(C=C2)OCO3 1 2.241 2 6 0 -10.5284638036743 6466988 C1=CC(=NC=C1Br)NS(=O)(=O)C2=CC=C(S2)Cl 1 2.7 2 2 -0.560348860875895 6466979 CN1C(=C(C=N1)Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.684 4 1 -1.67170115261624 6466967 C1CC(OC1)CNC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 2.633 2 2 -8.91842218984081 6466963 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NCCC3=CC=CC=C3 1 2.825 3 1 -7.3109177910096 6466955 C1CN(CCN1CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.418 2 3 -12.3556090130122 6466954 COC(=O)C1=C(C=CS1)NC(=O)NC2=CC=CC=C2F 1 2.537 2 3 -9.00677396003098 6466952 COC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3CCCO3 1 0.685 3 4 0 -17.8050195589013 6466949 C1CC(OC1)C(=O)N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 1.835 3 3 0 -16.7226261748551 6466938 CC1=CC(=CC=C1)NC(=O)NC2=C(SC=C2)C(=O)OC 1 2.817 2 3 -6.10810252783228 6466927 CC1=CC=CC=C1CC(=O)NCC2=CN=CC=C2 1 1.992 2 1 0 -13.2150222049352 6466920 CC(C)N1CCC(CC1)NC(=O)NC2=CC=CC=C2 1 1.783 3 1 0 -7.24865268825215 6466917 CC(C1=CC=NC=C1)NC(=O)NC2=CC3=C(C=C2)OCO3 1 1.524 3 3 0 -9.73908842074608 6466915 CCOC1=CC=CC=C1NC(=O)NC2=NC=CN=C2 1 1.093 4 2 0 -8.83087136774066 6466910 CCC1=C(SC=C1C(=O)N2CCCN(CC2)C)C 1 2.013 2 1 -3.98789941723776 6466888 COC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2)C(=O)O 1 2.136 2 4 -8.83805350751575 6466879 CN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Br)C3CC3 1 2.275 5 1 -15.6583932112142 6466878 CCOC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)NC(=O)C 1 1.975 3 3 0 -6.50955306697173 6466875 CCCN1CCN(CC1)S(=O)(=O)C2=CN(N=C2C)C 1 0.709 4 2 0 -10.0109887551735 6466864 CN1C(=CC=N1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 2.479 4 1 -2.5348166547265 6466857 CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN3CCCC3C2 1 3.044 2 2 -8.90475617609051 6466850 C1CC2CN(CCN2C1)S(=O)(=O)C3=CC(=C(C=C3Cl)Cl)Cl 1 3.387 2 2 -4.82028430410352 6466839 C1=CC(=CC(=C1)NC(=O)C2=CC=C(S2)Cl)C3=NNN=N3 1 2.496 5 1 3.04602223016776 6466832 CC(C1CC2CCC1C2)NC(=O)NC3=CC=C(C=C3)OC 1 3.171 2 2 -5.55381395123492 6466831 COC(=O)C1=CC=CC=C1NC(=O)NC2CCCC2 1 2.203 2 3 -14.3894920787547 6466823 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3C(=O)OC 1 2.62 3 4 0 -8.25851250938581 6466802 CCC(CC)NC(=O)NC1=CC=CC=C1C 1 3.206 2 1 -10.0496632032169 6466787 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C=NN2C)Cl)C 1 2.494 3 3 -13.046762674903 6466779 C1CCN(CC1)CCNC(=O)NC2=C(C=C(C=C2)F)F 1 2.413 3 1 -7.04255261743618 6466776 CC(C)N1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)OCO3 1 1.551 3 3 0 -10.0485681151407 6466774 CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3)C(=O)OC 1 1.02 3 5 0 -9.31712883550849 6466772 CCC(C)NC(=O)NC1=C(C=C(C=C1)Br)Cl 1 3.609 2 1 -8.45442442714356 6466770 COC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2)C(=O)OC 1 2.361 2 4 -10.6648066250617 6466769 CC1=C(C=C(C=C1)NC(=O)NCC2=CC=NC=C2)Cl 1 2.529 3 1 -4.58519601750435 6466761 CCCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Cl)C3CC3 1 3.063 5 1 -13.2622765707564 6466750 CC1=CC=CC=C1NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.222 3 3 -21.7819734777902 6466746 C1CN(CCN1CC2=CC=C(C=C2)F)CC(=O)NCCC3=CC=CC=C3 1 3.03 3 1 -5.49119439871651 6466745 CC(C1=CC=C(C=C1)OC)NC(=O)CC2=CC=CS2 1 2.97 1 2 -10.7451208997604 6466739 C1=CC=NC(=C1)CNC(=O)NC2=CC(=CC=C2)F 1 1.799 3 1 0 -5.00418957497915 6466738 CC1=CC(=NO1)NS(=O)(=O)C2=CN(N=C2C)C 1 0.388 4 3 0 -11.2333355731003 6466737 CC1=CC(=CC=C1)CC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.041 2 3 -7.24779648724869 6466729 CCN1C(=C(C=N1)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)OC)C 1 1.704 4 3 0 -9.25677424694544 6466721 CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 3.425 3 3 -20.865973387934 6466709 CC1=NN=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 1.232 5 1 0 -9.20956007846494 6466704 CC1=CC(=C(C(=C1C)S(=O)(=O)NCCCN2CCCC2=O)C)C 1 2.402 2 3 -18.9570441913489 6466697 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)F)Cl 1 2.558 3 3 -14.672661771241 6466690 CC(C1=CC2=C(C=C1)OCO2)NC(=O)NC3CCCCC3 1 2.957 2 3 -10.7207036172411 6466674 CCC1=NN=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C 1 2.385 5 1 -9.54650011954035 6466671 CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC(C)C3=CC=CC=C3 1 3.302 3 2 -9.27475629951413 6466664 CSC1=CC=CC=C1NC(=O)NC2=CC(=CC=C2)F 1 3.27 2 1 -7.24239755451928 6466662 CC1=CC=CC=C1NC(=O)NC2=CC3=C(CCC3)C=C2 1 4.066 2 1 -9.48207841833667 6466657 C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)NN=C3)Br 1 3.006 3 1 -4.49914800318834 6466638 CCN1C(=C(C=N1)S(=O)(=O)NCC2=CC=CC=C2Cl)C 1 2.133 3 2 -6.52125766570479 6466633 CCN1C(=C(C=N1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC)C 1 1.666 3 4 0 -12.1574557592107 6466621 CC1=CC(=C(C=C1)OC)NC(=O)NC2=NC=CN=C2 1 1.23 4 2 0 -6.90214255149239 6466620 CC1=CC(=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)O3)Br 1 2.058 1 4 -3.80010300028287 6466619 CN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=CC=N3 1 2.604 5 1 -14.7595347821933 6466610 COC1=C(C=C(C=C1)CCNC(=O)C2C3CCC(C3)C2C(=O)O)OC 1 2.232 1 5 -13.1114239412114 6466607 CCC1=CC=C(S1)C(=O)NC2=CC=CC(=C2)C3=NNN=N3 1 2.849 5 1 -1.6484875367179 6466595 CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC=NC=C2 1 1.832 2 2 0 -8.62860044087928 6466594 COC1=CC=CC(=C1)CN2CCN(CC2)C(=O)CC3=CC=CC=C3OC 1 2.786 2 3 -5.96767174763024 6466593 CC(C(=O)NC1=CC=CC(=C1)C2=NNN=N2)OC3=CC=C(C=C3)F 1 2.609 5 2 0 -4.73016999823242 6466590 COC1=CC=CC=C1CC(=O)NC2CC2 1 1.546 1 2 0 -10.4708422903595 6466581 C1=CC(=CC=C1CC(=O)NC2=CC3=C(C=C2)NN=C3)Br 1 3.041 3 1 -5.36316893569787 6466579 CCN1CCN(CC1)C(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.106 3 2 -4.40774738056389 6466560 CCOC1=CC=C(C=C1)NC(=O)NC2=CN=CC=C2 1 1.704 3 2 0 -4.18696363593323 6466553 CCC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)CC=C 1 3.862 2 1 -9.07978103183332 6466545 CC1=CC=CC=C1CC(=O)NCCN2CCOCC2 1 1.385 2 2 0 -12.9952308811876 6466542 CC1=CC=CC=C1N2CCN(CC2)CC(=O)NCC3=CC=C(C=C3)Cl 1 3.743 3 1 -2.74569033347918 6466539 C1CC2CN(CCN2C1)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 2.722 2 2 -5.34375102002884 6466534 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3CCCC3)C 1 3.268 4 1 -16.1258638480663 6466530 CC1CN(CC(O1)C)C(=O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 3.246 1 3 -8.22919596165887 6466515 CC1=CC(=NC(=C1)NC(=O)NC2=CC3=C(C=C2)OCO3)C 1 2.448 3 3 -5.56462769070272 6466503 CC1=C(C=CC(=C1)OC)NC(=O)NC2=CC=CC=C2F 1 3.198 2 2 -7.6198237084048 6466497 CC1=C(CC(C(C1)C(=O)NCC2=CC(=C(C=C2)OC)OC)C(=O)O)C 1 2.683 1 5 -11.7099878878867 6466495 CC1=C(C(=CC=C1)NC(=O)NCC2=CC3=C(C=C2)OCO3)C 1 3.27 2 3 -6.30928091088516 6466435 COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC=CC=C2C(=O)N 1 2.173 3 3 -6.79716927102816 6466438 CN1CCCN(CC1)C(=O)C2=C(C(=CC=C2)OC)OC 1 1.23 2 3 0 -6.47764402038097 6466443 CC1=CC(=NC=C1)NC(=O)NC2=CC3=C(C=C2)OCO3 1 2.165 3 3 -4.5623920390343 6466448 CN1C(=CC=N1)C(=O)NC2=CC=CC=C2C(=O)OC 1 1.411 3 3 0 -16.5399496891676 6466450 C1=CC(=CC(=C1)F)C(=O)NC2=CC3=C(C=C2)NN=C3 1 2.464 3 1 -4.4876645143148 6466482 CCN1C=C(C=N1)S(=O)(=O)NCCC2=CC(=C(C=C2)OC)OC 1 1.611 3 4 0 -10.4889526652587 6466475 COC1=CC=CC(=C1)NC(=O)NC2=CC=CC=C2SC 1 3.048 2 2 -9.08966403460621 6466474 C1CCC(CC1)NC(=O)N2CCN(CC2)CC3=CC=CO3 1 2.156 3 2 -7.3438322250637 6466468 CN1CCCN(CC1)C(=O)C2=CC(=CC=C2)Br 1 2.012 2 1 -1.82463276460907 6466466 CCN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CC=CC=N3 1 2.497 5 1 -15.1892149432755 6466463 CC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2C)C3CC3)C(=O)N(C)C 1 1.123 6 2 0 -19.2233674018951 6466423 CCC1=CC=C(C=C1)NC(=O)NCCN2CCCCC2 1 2.944 3 1 -6.46481956644399 6466398 CCCN1CCN(CC1)C(=O)C2=C(C=NN2C)Cl 1 1.679 4 1 0 -4.69293833489301 6466395 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN3CCCC3C2 1 1.361 2 4 0 -7.89162683090181 6466391 COC1=CC=CC=C1CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.437 2 5 0 -22.9060289637413 6466387 CCN(CC1=CC=NC=C1)C(=O)CCC2=CC=CC=C2 1 2.516 2 1 -12.6394883898105 6466383 CC(C)CNC(=O)NC1=CC(=C(C=C1)F)Cl 1 3.008 2 1 -4.11794032326234 6466377 CCOC1=CC=C(C=C1)NC(=O)CN2CCC3=CC=CC=C3C2 1 2.947 2 2 -9.48133076996016 6466355 CC1CCCCC1NC(=O)NC2=CC=CC=C2C 1 3.61 2 1 -11.9528462306292 6466353 C1CC(OC1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)Cl 1 1.17 3 3 0 -16.5207161774817 6466341 CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC=CN2C)C 1 1.418 4 3 0 -15.7096366094309 6466340 CCN1C=C(C=N1)S(=O)(=O)NC2=CN=CC=C2 1 0.165 4 2 0 -5.83327534136555 6466336 CC1=CC=C(C=C1)C2=NC(=CS2)CN3CCN(CC3)C(=O)C4CCCO4 1 2.535 3 2 -9.07795930165259 6466333 COC1=CC=CC(=C1)NC(=O)NC2=NC=CN=C2 1 0.744 4 2 0 -3.43492786083281 6466319 COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3CC3 1 2.558 4 2 -16.5270825664115 6466312 C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=C(C=CC(=C3)F)F 1 2.147 2 4 -16.7421324411741 6466310 C1CC(OC1)C(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC=C3Cl)Cl 1 1.835 3 3 0 -17.6857752543264 6466309 CCC1=NN=C(S1)NC(=O)CN2CC(OC(C2)C)C 1 0.8 4 2 0 -17.6286073230536 6466302 COC1=C(C=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)O3)OC 1 0.791 1 6 0 -8.58507683171979 6466285 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=C(C=CC(=C3)F)F 1 2.375 3 2 -9.71388107720334 6466281 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCCCN2CCCC2=O 1 0.424 2 5 0 -20.862650148117 6466273 CC1=CC(=C(C=C1)C(C)NC(=O)CC2=CC=CS2)C 1 3.959 1 1 -11.626822853934 6466269 CC1=NN(C=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC)C 1 1.492 4 3 0 -9.89559272198018 6466266 C1CCCN(CCC1)C(=O)COC2=CC=C(C=C2)F 1 3.114 1 2 -5.55240140301161 6466262 CC1=C(SC(=N1)NC(=O)CN2CCOCC2)C(=O)N(C)C 1 -0.371 4 3 0 -13.0722240254417 6466244 CCN1C=C(C=N1)S(=O)(=O)NC2CCCCC2 1 1.598 3 2 0 -9.96890851588272 6466239 C1CCN(CC1)CCNC(=O)C2=C(C=C(C=C2)F)Cl 1 2.963 2 1 -4.18525714780537 6466224 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3 1 2.708 3 3 -15.907777807614 6466218 CCC1=NN=C(N1CC)SCC(=O)NC2CC2 1 1.309 4 1 0 -19.4386712972514 6466215 COC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)F 1 2.583 2 3 -3.7052012336769 6466213 CC1=C(SC(=N1)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)N(C)C 1 2.235 5 2 0 -2.68827250406076 6466212 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)C3CC3 1 1.135 5 1 0 -15.1155481315858 6466209 CC(C1CCCO1)NC(=O)C2=CC=CS2 1 1.727 1 2 0 -14.3131903644662 6466207 CCOC1=CC=CC=C1NC(=O)NC2=CC=CC=N2 1 2.243 3 2 -7.69929799262173 6466199 C1CCN(C1)C(=O)NC2=CC(=C(C=C2)F)Cl 1 2.483 2 1 -3.14965256099415 6466196 CCCNC(=O)NC1CCCCCCC1 1 3.012 2 1 -12.3274466282695 6466187 CCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=C(C=C3)OC 1 2.29 4 2 -14.6553348514561 6466176 COC1=CC=CC=C1CC(=O)NC2=CC=C(C=C2)C(=O)N3CCCCC3 1 2.964 2 3 -12.5561312586107 6466164 C1OC2=C(O1)C=C(C=C2)NC(=O)NCC3=CC=NC=C3 1 1.147 3 3 0 -7.97362143667495 6466155 CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3)C(=O)OC 1 1.687 3 5 0 -14.0935895036244 6466147 CCC1=CC=C(C=C1)C(C)NC(=O)C2=CC=NC=C2 1 2.79 2 1 -8.45507236751423 6466146 C1=CC(=C(C=C1F)Cl)C(=O)NC2=NC=CN=C2 1 1.722 3 1 0 -1.68864605983987 6466144 CC1=NN(C=C1S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)C 1 2.084 4 2 -5.32620222759004 6466132 CC1=C(C=CC=C1Cl)NC(=O)NC2=CC=C(C=C2)C(=O)N 1 2.675 3 2 -6.11511792880791 6466122 CC1=C(C(=CC=C1)NC(=O)NC2=CC=C(C=C2)NC(=O)C)C 1 2.615 3 2 -5.48688057688139 6466121 CC1=NN=C(N1CC=C)SCC(=O)NC2CCCCC2 1 2.279 4 1 -21.4400173387521 6466120 CC1=C(C=C(C=C1)NC(=O)NCC2=CC3=C(C=C2)OCO3)C 1 3.27 2 3 -6.57605407672392 6466116 CCOC(=O)C1=C(SC(=C1)C)NC(=O)CSC2=NN=NN2C 1 0.996 5 3 0 -22.0679691061201 6466102 CC(C)N1CCC(CC1)NC(=O)NC2CCCCC2 1 2.065 3 1 -7.31763097641214 6466099 COC1=CC=CC=C1NC(=O)NC2=CC=CC=C2SC 1 3.048 2 2 -12.2961126378816 6466094 C=CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.336 2 1 -3.52278351198375 6466088 CC1=CC=C(C=C1)CC(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 3.253 2 1 -3.4528264779087 6466087 CC(C1=CC(=CC=C1)OC)NC(=O)NC2=CC=CC=C2Cl 1 3.555 2 2 -8.26265761593069 6466086 CCCN1CCC(CC1)NC(=O)CC2=CC=CC=C2C 1 2.542 2 1 -7.08942111310304 6466081 CC1=CC(=CC=C1)CC(=O)NC2=C(C=C(S2)C(C)C)C(=O)N3CCOCC3 1 3.298 2 3 -10.2826471469744 6466070 CC1=CC=C(C=C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.94 2 4 0 -20.0996825405401 6466060 CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC=CC=N2 1 1.798 3 3 0 -11.1202079226419 6466048 CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)NC3CC3 1 1.207 4 2 0 -15.364759226376 6466043 CCN1C(=NN=C1SCC(=O)NC2CC2)CC3=CC=CS3 1 2.294 4 1 -20.7839457143506 6466041 CN1C(=C(C=N1)Cl)C(=O)NCC2=CC3=C(C=C2)OCO3 1 1.995 3 3 0 -8.48037077676412 6466040 COC1=CC=C(C=C1)NC(=O)NC2=NC=CN=C2 1 0.744 4 2 0 -3.79163325552048 6466039 CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CN(N=C2C)C 1 1.591 3 4 0 -7.7222800767516 6466029 C1CC(C1)C(=O)NC2=CC3=C(C=C2)NN=C3 1 1.808 3 1 0 -0.292346084481178 6466024 CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3CCCO3)C 1 1.478 3 3 0 -17.3364555961625 6466022 CC1=C(C=CC=C1Cl)NC(=O)N2CCCC2 1 2.763 2 1 -3.5665309347294 6466017 CCCCC1=CC=C(C=C1)NC(=O)NCC2=CC=CC=N2 1 3.449 3 1 -7.52094158078937 6465990 CC1=C(C=C(C=C1)NC(=O)NC2=NOC=C2)Cl 1 2.666 3 2 -3.18186222732623 6465983 CC1=NN(C=C1S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C 1 1.025 3 4 0 -3.5776948035149 6465979 CC(C)(C)NC(=O)NC1=CC(=C(C=C1)F)Cl 1 2.747 2 1 -6.40853657989446 6465967 CCN(CC1=CC=NC=C1)C(=O)C2=CC=C(O2)Br 1 1.988 2 2 0 -9.28786651006136 6465965 COC1=CC(=C(C=C1)NC(=O)NC2=CC(=C(C=C2)F)F)OC 1 2.901 2 3 -7.17589913155894 6465963 C1=CC(=C(C=C1Cl)NC(=O)NC2=NOC=C2)Cl 1 2.844 3 2 -2.83627638162321 6465957 CC1=C(C=C(C=C1)Cl)NC(=O)CN2CCN(CC2)C(=O)C3CCCO3 1 1.656 3 3 0 -17.9180126651936 6465949 CCCN1CCN(CC1)CC(=O)NC2=NN=C(S2)CC 1 1.187 5 1 0 -12.0153661496802 6465920 CCN1C=C(C=N1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)OC)C 1 1.658 3 4 0 -10.8015953056196 6465899 C1CC2=C(C1)C=C(C=C2)NC(=O)C3CC=CCC3C(=O)O 1 2.873 1 3 -7.6241449173546 6465897 CC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=NC(=C(S3)C(=O)N(C)C)C 1 2.057 5 2 0 -6.27915793149553 6465895 CC1CCCCN1S(=O)(=O)C2=CN(N=C2C)C 1 1.174 3 2 0 -8.25311084254879 6465886 COC1=CC=CC(=C1)CN2CCN(CC2)CC(=O)NCCC3=CC=CC=C3 1 2.809 3 2 -6.84731641033598 6465884 CCN1CCN(CC1)C(=O)NC2=C(C=C(C=C2)OC)OC 1 1.425 3 3 0 -8.59523629679422 6465871 C1CC2CN(CCN2C1)S(=O)(=O)C3=CC=CC=C3 1 1.393 2 2 0 -9.69071119051822 6465870 CCN1CCC(CC1)NC(=O)NC2=C(C=C(C=C2)F)F 1 1.816 3 1 0 -5.72402356671115 6465868 C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3F 1 2.798 3 1 -5.97771189577812 6465863 C1CC2C(C(C1O2)C(=O)NC3=CC(=CC=C3)Cl)C(=O)O 1 1.488 1 4 0 -0.506088825981415 6465853 CC(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3CC3 1 3.152 4 1 -13.7171753782364 6465848 CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCO3 1 2.351 2 4 -29.9207891404222 6465839 COC1=CC=CC(=C1)NC(=O)NCC2=CC=CC=N2 1 1.577 3 2 0 -6.85145605506607 6465836 CC(C1CCCO1)NC(=O)COC2=CC=C(C=C2)Br 1 2.358 1 3 -12.2525186137014 6465831 CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCC3(CC2)OCCO3 1 2.648 1 4 -10.4742703547488 6465830 CC1=C(C(=NO1)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.531 3 4 0 -23.81860652491 6465823 CC1=NN=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3Cl 1 1.896 5 1 0 -9.29568761517977 6465816 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.297 3 3 -13.2271071201355 6465814 CCN1C(=NN=C1SCC(=O)NC2CC2)COC3=CC=CC=C3 1 2.142 4 2 -18.8079753311843 6465812 CCOC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(=O)O 1 2.485 2 4 -5.49594191618894 6465797 CC1CCN(CC1)C(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.969 2 2 -8.24723745588621 6465785 C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC=C(C=C2)CC(=O)O 1 2.851 2 3 -3.53432946215016 6465781 CC1=NC(=NC=C1)NC(=O)NC2=CC(=CC=C2)OC 1 1.531 4 2 0 -7.21261660047716 6465775 CC1=C(C=C(C=C1)NC(=O)NC2=NOC(=C2)C)C 1 2.634 3 2 -12.0714758125797 6465765 CCOC1=CC=CC=C1NC(=O)NCCN2CCCCC2 1 2.334 3 2 -11.6775857520292 6465764 CCOC1=CC=C(C=C1)NC(=O)N(CC=C)CC=C 1 2.718 2 2 -10.6634629807105 6465760 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)C 1 1.671 4 2 0 -6.89531267809713 6465752 COC1=CC=CC(=C1)NC(=O)NC2=CC=C(C=C2)CC(=O)O 1 2.171 2 4 -6.33945953331208 6465742 C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C3=NNN=N3 1 1.919 5 2 0 -2.789786157411 6465741 CC(=O)NC1=CC(=CC=C1)NC(=O)NC2=C(C=C(C=C2)OC)OC 1 1.61 3 4 0 -11.0290825195859 6465738 CC1=CC(=CC=C1)CC(=O)NCCN2CCCCC2 1 2.615 2 1 -7.34139461501589 6465735 CC1=NN(C=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)C 1 1.714 4 2 0 -7.12841725184793 6465732 CCCN1CCN(CC1)CC(=O)NC2=NN=C(S2)C 1 0.521 5 1 0 -11.0819105070323 6465729 CCC(C)C1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2 1 3.029 3 1 -7.1259914458548 6465725 CC1=CC=CC=C1CC(=O)NCCN2CCCCC2 1 2.615 2 1 -10.5966246702755 6465724 C1CCN(CC1)CCNC(=O)NC2=CC(=CC=C2)F 1 2.207 3 1 -4.43437576503446 6465714 CN1C(=NN=C1SCC(=O)N)CCC2=CC=CC=C2 1 1.753 4 1 0 -13.2809926599759 6465713 CC1=CC(=CC(=C1)NC(=O)NC(C)C2CCCO2)C 1 2.654 2 2 -11.970174542816 6465707 CC1=CC(=C(C=C1)C)C(C)NC(=O)C2CCCC2 1 3.977 1 1 -5.70136426228756 6465706 CC1=NC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OCO3 1 1.962 3 3 0 -4.85644778722058 6465696 CN1CCCN(CC1)C(=O)C2=CC=C(S2)Br 1 1.785 2 1 0 -4.59959171020137 6465678 CC1CN(CC(O1)C)CC(=O)NCC2=CC=C(C=C2)Cl 1 2.07 2 2 -12.0293120736797 6465669 COC1=CC=CC(=C1)NC(=O)NC2=CC=NC=C2 1 1.355 3 2 0 -2.88458129473201 6465663 COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CC(=O)O 1 2.171 2 4 -6.42558076343078 6465652 CC(=O)NC1=CC(=CC=C1)NC(=O)NC2=C(C=C(C=C2)F)F 1 2.054 3 2 -6.15033657724709 6465631 CCC(CC)NC(=O)NC1=CC=CC=C1C(F)(F)F 1 3.662 2 1 -8.34645609378931 6465630 CN1C(=C(C=N1)Cl)C(=O)NC2=C(SC=C2)C(=O)OC 1 2.029 3 3 -8.26105501002943 6465627 CC1=C(C=C(C=C1)NC(=O)CN2CCC3=CC=CC=C3C2)C 1 3.587 2 1 -8.55005622374811 6465620 CC(C)N1C(=NN=C1SCC(=O)NC2CC2)C3CC3 1 1.777 4 1 0 -17.5630155625211 6465613 CCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Br)C3CC3 1 2.624 5 1 -16.3668840935506 6465606 CCC(C1=CC=C(C=C1)C)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 2.886 1 3 -5.37338143046727 6465603 C1=CC=C2C(=C1)N=C(S2)NS(=O)(=O)C3=C(C=CC(=C3)F)F 1 3.354 2 2 0.278755284529924 6465591 COC1=CC=CC(=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3 1 1.216 3 4 0 -7.14793424161392 6465583 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=CC=N3 1 1.679 3 3 0 -5.03525023950688 6465581 CCOC(=O)CSC1=NC=CC=N1 1 1.17 2 2 0 -10.2866943327507 6465578 CC1CN(CC(O1)C)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C 1 2.829 3 2 -4.94302205539925 6465574 CCOC1=CC=C(C=C1)NC(=O)NCC2=CC=CC=N2 1 1.926 3 2 0 -7.87699037493698 6465571 COC(=O)CN1CCN(CC1)C(=O)C2=CC=CO2 1 0.303 2 4 0 -7.42262607821367 6465558 CC1=C(SC(=N1)NC(=O)CSC2=NC=CN2C)C(=O)N(C)C 1 0.628 5 2 0 -14.5179612486894 6465555 C1CCC(CC1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.223 3 3 -22.093124241475 6465554 CC(=O)NC1=CC(=CC=C1)NC(=O)NC2=CC(=CC=C2)F 1 1.848 3 2 0 -4.33251841717621 6465550 C1CN(CCN1CCC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)F 1 3.22 2 2 -9.83302204909252 6465548 COC1=CC(=C(C=C1)S(=O)(=O)NC2CCCCCC2)OC 1 3.022 1 4 -8.42640558600545 6465535 CCN1C=CC(=N1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 0.422 6 1 0 -5.96722493464349 6465533 CC1=C(C(=CC=C1)NC(=O)NC2=CC=CC=N2)C 1 2.883 3 1 -2.29705445379278 6465532 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C)C 1 1.022 3 4 0 -19.623213632251 6465521 CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C3CCCO3)C 1 1.478 3 3 0 -21.1050559650476 6465514 CCCCNC(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2 1 2.912 3 1 -4.6199683419166 6465507 COC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2SC 1 3.048 2 2 -9.34897520276909 6465494 CN1C(=CC=N1)C(=O)NC2=NN=C(S2)C3CC3 1 1.048 5 1 0 -14.1673193830226 6465485 C1OC2=C(O1)C=C(C=C2)NC(=O)NCCC3=CC=CC=C3 1 2.619 2 3 -9.40332629656624 6465484 C1COCCN1C(=O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 2.491 1 3 -4.51167917059469 6465482 CC1=CC=CC=C1CC(=O)NC2=CN=CC=C2 1 1.985 2 1 0 -7.26977659302201 6465474 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CO3 1 2.002 2 4 -13.9001373193497 6465472 CC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2CC=C)C)C(=O)N(C)C 1 0.982 6 2 0 -24.122140110818 6465454 CCOC1=CC=C(C=C1)NC(=O)N2CC(OC(C2)C)C 1 1.927 2 3 0 -10.3000053761204 6465450 CC1=C(OC2=CC=CC=C12)C(=O)N3CCN(CC3)CC=C 1 2.899 2 2 1.34310479182345 6465446 CC1=CC=CC=C1NS(=O)(=O)C2=CC=CC3=NON=C32 1 2.373 3 3 -3.54478978513661 6465442 CC1CN(CC(O1)C)CC(=O)NC2=NC(=C(S2)C(=O)N(C)C)C 1 0.384 4 3 0 -15.4499169943804 6465440 COC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(CCC3)C=C2)OC 1 3.547 2 3 -11.2500616870254 6465428 C1=CC=C(C(=C1)NC(=O)NC2=CC=CC=C2Br)F 1 3.476 2 1 -5.86670318865582 6465421 CCN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 2.239 4 2 -10.1685629951312 6465419 CC12CC3CC(C1)(CC(C3)(C2)C(=O)NCC4=CC=NC=C4)C 1 2.774 2 1 -7.12873881670675 6465414 CC1=CC=CC=C1NC(=O)NC2CCCCCCC2 1 4.203 2 1 -10.2012951553754 6465408 CC1=NC(=NC=C1)SCC(=O)NC2CC2 1 0.946 3 1 0 -15.7711577772704 6465398 CC1=C(C=CO1)C(=O)NC2=CC=CC=C2C#N 1 1.742 2 2 0 -5.45963881219941 6465394 C=CCNC(=O)NC1=CC(=C(C=C1)F)Cl 1 2.433 2 1 -6.6478624082519 6465389 C1CN(CCN1CC2=CC=CO2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 2.998 2 3 -9.26999742724432 6465387 CC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3 1 2.237 2 3 -11.4154755117099 6465369 CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(=O)C3CCCO3 1 1.314 2 3 0 -21.3953501789503 6465363 CC1=NN(C=C1S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)C 1 2.29 4 2 -6.63994218711579 6465362 CCCNC(=O)NC1CCCC2=CC=CC=C12 1 2.841 2 1 -9.77538406271765 6465361 CC(C)NC(=O)NC1=C(C=CC(=C1)Cl)OC 1 2.32 2 2 -11.1163891313131 6465352 C1CCCN(CCC1)C(=O)C2=CC3=CC=CC=C3OC2=O 1 3.103 1 3 -11.4773772995614 6465339 CC(C1CC2CCC1C2)NC(=O)NC3=CC(=CC=C3)OC 1 3.171 2 2 -5.19710855654725 6465336 CC1=C(SC(=N1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3F)C(=O)N(C)C 1 1.776 5 2 0 -6.51765630708184 6465331 C1CN(CCN1C(=O)C2=CC=C(O2)Br)C34CC5CC(C3)CC(C5)C4 1 3.307 2 2 -8.00109285955523 6465328 CC1=C(C=C(C=C1)NC(=O)NCC2=CC=CC=N2)Cl 1 2.744 3 1 -6.26594516017609 6465318 CCOC1=CC=CC=C1NC(=O)NC2=CC=NC=C2 1 1.704 3 2 0 -8.04547795480972 6465316 COC(=O)C1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)F)F 1 2.789 2 3 -6.07833123924848 6465310 C1CN(CCC1NC(=O)NC2=CC=C(C=C2)F)CC3=CC=CC=C3 1 2.846 3 1 -1.51238802571706 6465309 CC(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CS2)CC(=O)O 1 0.503 2 5 0 -21.2461390140717 6465307 COC1=CC(=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)O3)OC 1 0.791 1 6 0 -7.18571154343264 6465298 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCO3)C 1 1.469 2 4 0 -27.8963812034905 6465295 CCC1=NN=C(S1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Cl 1 2.563 5 1 -7.54887892530386 6465287 CC(C1=CC(=CC=C1)OC)NC(=O)CC2=CC=CS2 1 2.97 1 2 -11.5649218240766 6465286 C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3 1 3.357 3 1 0.910543290555984 6465278 CC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl 1 0.295 3 4 0 -14.7150577176471 6465271 COC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC3=CC=CC=C3 1 3.124 2 2 -5.85490209769081 6465270 C1CN(CCN1CC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=N4 1 2.599 5 1 -2.39367985719096e-002 6465267 C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F 1 3.535 3 1 -0.887453196121242 6465259 COC1=CC=CC=C1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.633 2 4 0 -21.6047062094887 6465251 COC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)NN=C3 1 2.242 3 2 -6.27299578700926 6465235 C1=CC2=NON=C2C(=C1)S(=O)(=O)NC3=C(C=CC(=C3)F)F 1 2.298 3 3 -2.70359015390767 6465226 CC(C1=CC(=CC=C1)OC)NC(=O)C2=CC=NC=C2 1 1.832 2 2 0 -9.35100713867067 6465212 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.803 2 4 0 -17.0129435634924 6465210 CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=CC=N3 1 2.953 5 1 -15.5436834574436 6465202 C1CN(CCC12OCCO2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 2.34 1 4 -13.0685579223077 6465197 CCN1CCC(CC1)NC(=O)NC2=CC=CC=C2C(=O)OC 1 1.261 3 3 0 -13.1414494184086 6465196 COC1=CC=CC=C1NC(=O)NC2=CC=CC=C2C(=O)N 1 1.508 3 3 0 -10.0199087954781 6465188 CC1=CC=CC=C1CN2CCN(CC2)CC(=O)NCC3=CC=CC=C3 1 2.99 3 1 -8.71967299344807 6465186 C1CCCC(CCC1)NC(=O)NC2=CC=CC=C2F 1 3.922 2 1 -8.89145352639684 6465185 CC1=CC(=CC=C1)CC(=O)N2CCCC2 1 2.225 1 1 -6.15490003084712 6465173 CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCC3(CC2)OCCO3)C)C 1 3.442 1 4 -12.4090351502804 6465172 CC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 3.102 4 2 -10.7772554432243 6465170 C1CC2C(C(C1O2)C(=O)NC3=CC=C(C=C3)OC(F)F)C(=O)O 1 1.629 1 5 0 -1.26401425828174 6465167 CC1=C(C=C(C=C1)C(=O)O)NC(=O)NC2=CC(=CC=C2)OC 1 2.622 2 4 -7.93101948772663 6465161 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2 1 2.363 2 4 -11.0827495127078 6465157 CC1=CC(=NO1)C(=O)NCC2=CSC(=N2)C3=CC=CC=C3 1 2.245 3 2 -12.5784856688148 6465146 CC(C)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C3CCCO3 1 1.7 3 3 0 -18.0592551714169 6465145 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C 1 1.122 3 4 0 -19.8673266631503 6465140 CC1=NN=C(N1C(C)C)SCC(=O)NC2=NC=CS2 1 1.103 5 1 0 -16.5521237160433 6465133 C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)S(=O)(=O)CC3=CC=CC=C3 1 3.364 2 2 -11.1290210605294 6465121 CN1C(=CC=N1)C(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4 1 2.285 4 1 -12.5784720800766 6465117 CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3CC3 1 1.489 6 1 0 -23.4839647081061 6465103 CC1=CC(=CC=C1)NC(=O)NC2=NC=CN=C2 1 1.247 4 1 0 -1.49102149304721 6465101 CCN1C=C(C=N1)S(=O)(=O)NC2=CC(=C(C=C2)C)Cl 1 2.467 3 2 -3.48833235597022 6465100 CC1=CC=C(C=C1)CC(=O)NCCN2CCCCC2 1 2.615 2 1 -8.62177399313394 6465087 C1CN(CCN1C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.549 3 3 -4.35047919859706 6465068 CC1=CC=C(C=C1)CC(=O)NCC2CCCCC2 1 3.747 1 1 -8.85163153586445 6465065 C1CCC(C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.571 3 3 0 -20.0879463345703 6465049 CC(C)N1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CO3 1 2.079 4 2 -14.1937103488082 6465046 COC(=O)C1=CC=CC=C1NC(=O)NC2CC2 1 1.291 2 3 0 -14.9030982589219 6465039 COC1=CC=CC=C1NC(=O)NC2=C(C=CC(=C2)F)F 1 2.917 2 2 -6.08435625014251 6465038 C1=CC=NC(=C1)CNC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 2.923 3 1 -8.00946904379301 6465036 COC1=CC(=C(C=C1)S(=O)(=O)NCCCN2CCCC2=O)OC 1 0.424 2 5 0 -20.2068359891226 6465020 CCC1=CC=CC=C1NC(=O)NC2=C(C=CC(=C2)F)F 1 3.876 2 1 -4.67294317611108 6465019 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCN(CC2)C(=O)C3CCCO3 1 1.128 3 5 0 -27.6163988988158 6465014 CCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl 1 0.548 2 4 0 -18.1067900591425 6465012 CC1=CC=CC=C1CC(=O)NC2=NOC=C2 1 2.128 2 2 -7.87744500186907 6465011 C=CCN1C(=NN=C1SCC(=O)NC2CC2)CC3=CC=CS3 1 2.562 4 1 -23.8676106157358 6465005 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3CC3)C 1 2.356 4 1 -16.6394700282334 6464996 CCN1C=C(C=N1)S(=O)(=O)NC(C)C2=C(C=CC(=C2)OC)OC 1 1.668 3 4 0 -13.0644882349132 6464993 CCCCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl 1 1.528 2 4 0 -17.3862913065574 6464992 CCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=C(C=C3)F 1 2.512 4 1 -13.5304916168467 6464989 CC1=CC=CC=C1OCC(=O)N2CCCCCCC2 1 3.395 1 2 -6.18742116893306 6464970 CCC1=CC=CC=C1NC(=O)NC2=CC(=CC=C2)F 1 3.67 2 1 -3.72991234645238 6464966 CCCCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CS2 1 1.069 2 4 0 -21.8871246574936 6464965 CC1=CC(=C(C(=C1)C)C(=O)N2CCC3(CC2)OCCO3)C 1 2.767 1 3 -8.70565685740032 6464952 C1CC1NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 3.088 1 2 -5.00775132485382 6464949 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C3CCCO3 1 0.838 3 4 0 -19.5219042289207 6464947 CC1=C(C(=CC=C1)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C 1 3.433 3 3 -1.34327383327487 6464946 C=CCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CC=N3 1 1.852 5 1 0 -19.0940281539323 6464935 CC1=C(C=C(C=C1)C(=O)O)NC(=O)NC2=CC3=C(C=C2)OCO3 1 2.407 2 5 0 -10.831328238532 6464933 CCCNC(=O)NC1=CC=CC=C1SC 1 2.36 2 1 -14.7783249349265 6464929 CCN1C=CC(=N1)C(=O)NC2CCCC2 1 1.867 3 1 0 -10.7333086260739 6464923 CN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3CCCC3 1 2.239 4 2 -18.0501287682282 6464905 COC1=CC=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)O 1 2.136 2 4 -5.06816311951558 6464902 CC(C)(C)C1=CC(=NO1)NS(=O)(=O)C2=CC=CS2 1 2.789 2 3 -9.4477669502921 6464895 CN1C(=CC=N1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 2.756 4 1 -1.34496052857832 6464883 CC1=C(C=CC(=C1)OC)NC(=O)NC2=CC=C(C=C2)F 1 3.198 2 2 -5.89692080406998 6464881 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=NN3C)Cl)C 1 3.451 4 1 0.889435912143387 6464880 C1=CC=NC(=C1)CNC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 2.923 3 1 -5.69498189600348 6464877 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=NN3C)Cl 1 2.811 4 2 -5.7162993871025 6464864 CC1CCCN(C1)C(=O)NC2=C(C=C(C=C2)Br)Cl 1 3.801 2 1 -3.86455594755292 6464858 C1=CC(=CC(=C1)F)NC(=O)NCC2=CN=CC=C2 1 1.584 3 1 0 -5.32232538194069 6464856 CN1C(=C(C=N1)Cl)C(=O)NCC2CCCO2 1 1.002 3 2 0 -11.3985770292943 6464848 CC1=C(C=CC=C1Cl)NC(=O)NCC2=CC=CC=N2 1 2.744 3 1 -6.66649505040506 6464847 C1CN(CCN1C(=O)C2=C(C=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CS3 1 2.484 2 3 -14.4388874196673 6464837 CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4=NN=CS4)C 1 2.392 3 1 -7.40225956813339 6464827 CC1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C(=O)C3CCCO3)C 1 1.478 3 3 0 -18.8069127839167 6464817 CN1C=NN=C1SCC(=O)NC2CCCC2 1 0.945 4 1 0 -21.2522501523055 6464811 C1CN(CCC12OCCO2)S(=O)(=O)C3=C(C=CC(=C3)F)F 1 1.422 1 4 0 -14.185471771481 6464810 CC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)N(C)C(=O)C 1 2.335 3 2 -5.77713595152715 6464809 C1CN(CCN1CC2=CC(=CC=C2)F)CC(=O)NCC3=CC=CC=C3 1 2.709 3 1 -5.44924009183726 6464804 CC1=CN=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCO3 1 2.165 3 3 -7.52363802617424 6464785 C1CC(OC1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)Br 1 1.254 3 3 0 -17.9773759225832 6464766 CCCNC(=O)NC1=CC=C(C=C1)NC(=O)C 1 0.939 3 2 0 -11.20821696516 6464754 CC1=NN(C=C1S(=O)(=O)NC2=CC=C(C=C2)OC)C 1 1.233 3 3 0 -1.04532894585345 6464748 C1CC(OC1)C(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 1.835 3 3 0 -16.4380343435278 6464746 CCC(C)C1=CC=CC=C1NS(=O)(=O)C2=CN(N=C2)CC 1 2.966 3 2 -7.33320265187454 6464729 CN1C(=C(C=N1)Cl)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl 1 3.807 4 1 -1.52219039701608 6464727 CC1=CC=CC=C1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.135 2 3 -20.8706046899539 6464718 CCC1=CC=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)O3 1 1.766 1 4 0 -3.49439621846595 6464715 CC1CCC2=C(C1)SC=C2C(=O)NC3=CC=CC(=C3)C4=NNN=N4 1 3.381 5 1 -4.75586317775896 6464707 CC1=C(C=CC=C1Cl)NC(=O)NCC2=CC=C(C=C2)F 1 3.885 2 1 -3.65247020496727 6464700 CC(C)N1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3CC3 1 2.053 4 2 -19.7785794014958 6464697 CC1=NN(C=C1S(=O)(=O)NCCC2=CC=CC=C2OC)C 1 1.561 3 3 0 -8.13192853319458 6464693 CCOC(=O)C1=C(N=C(S1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)OC)C 1 2.344 4 4 0 -8.62446627484653 6464684 CC(C1=CC=CC=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.634 3 1 -3.9516234028939 6464678 CC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.76 2 2 -10.9390266004154 6464675 CCOC(=O)CSC1=CC=CC=N1 1 1.816 1 2 0 -11.4414797289528 6464671 CCOC1=CC=C(C=C1)NC(=O)NC2=NOC=C2 1 1.848 3 3 0 -4.79290744208712 6464670 CC(C1CCCO1)NC(=O)C2=CC(=CS2)Br 1 2.476 1 2 -10.9580601018926 6464666 C1=CC=C(C=C1)C#CC(=O)NCC2=CC=CC=C2F 1 3.417 1 1 -2.24515736274387 6464660 CCC1=NN=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3C 1 2.385 5 1 -11.438307733425 6464658 CC1=CC=CC=C1CC(=O)NCC2CCCCC2 1 3.747 1 1 -10.826482213006 6464652 CC12CC3CC(C1)(CC(C3)(C2)C(=O)N4CCCC4)C 1 3.008 1 1 -1.99359443493456 6464642 C1CC2CN(CCN2C1)S(=O)(=O)C3=C(C=CC(=C3)F)F 1 1.804 2 2 0 -6.46066486920208 6464634 CC(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3 1 1.652 3 4 0 -7.68173682088432 6464623 CC(C)C1=CC=CC=C1OCC(=O)N2CCCN(CC2)C 1 2.293 2 2 -4.92308241551186 6464603 C1=CC=C(C=C1)C#CC(=O)NC2=CC=CC=C2F 1 3.41 1 1 1.25099773595422 6464597 C1CC(=O)N(C1)CCCNS(=O)(=O)C2=CC(=C(C=C2)F)F 1 0.868 2 3 0 -18.7869546139425 6464590 CCOC(=O)C1=C(SN=C1C)NC(=O)C2=CC=CO2 1 1.633 2 4 0 -8.42452436680969 6464588 C1=CC=C(C(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)O)Cl 1 2.817 2 3 -5.30567448853432 6464587 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=NN3C)C 1 2.787 4 1 -3.66439771403677 6464584 C1CCN(CC1)CCNC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 3.33 3 1 -7.43965523384832 6464582 CC(C)C1=CC=C(C=C1)NC(=O)NC2=NC=CN=C2 1 1.955 4 1 0 -3.0952073497247 6464578 CCNC(=O)NC1=C(C=C(C=C1)OC)OC 1 1.262 2 3 0 -10.9361418940696 6464564 CCC1=NN=C(N1CC2CCCO2)SCC(=O)NC3=NN=C(S3)C 1 1.14 6 2 0 -31.2086156379875 6464558 CCN1C=C(C=N1)S(=O)(=O)NC2=NC=CC=N2 1 5.8e-002 5 2 0 -8.9229068022332 6464556 CN1C(=C(C=N1)Cl)C(=O)N2CCC3(CC2)OCCO3 1 0.914 3 3 0 -9.00800993730442 6464536 C=CCNC(=O)NC1=C(C=C(C=C1)Br)Cl 1 2.975 2 1 -7.49634175971636 6464523 CC1=CC(=CC=C1)CC(=O)NC2=CC=C(C=C2)C(=O)N3CCCCC3 1 3.466 2 2 -8.56679968381628 6464510 C1CCCN(CCC1)C(=O)COC2=CC=C(C=C2)Cl 1 3.573 1 2 -4.44227973789004 6464492 C1COCCN1C(=O)NC2=C(C=C(C=C2)Br)Cl 1 2.252 2 2 -4.56801254889174 6464479 CC1=CC(=CC(=C1)NC(=O)NCC2=CC=CC=N2)C 1 2.566 3 1 -7.08656501291488 6464475 C1CC(OC1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F 1 0.711 3 3 0 -17.6308378426033 6464474 CN1C(=C(C=N1)Cl)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.479 4 1 -2.64488137322373 6464473 CC(C1=CC=CC=C1)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)OC 1 2.953 3 2 -5.14123280217301 6464463 CC1=C(CC(C(C1)C(=O)NC2=NC(=CS2)C)C(=O)O)C 1 1.989 2 3 0 -5.05573345586485 6464455 C1CCCN(CC1)C(=O)NC2=CC(=C(C=C2)F)Cl 1 3.395 2 1 -3.50412107516223 6464445 CN1CCCN(CC1)C(=O)C2=C(C=C(C=C2)OC)OC 1 1.23 2 3 0 -4.20670985787287 6464444 CC1CCCCC1NC(=O)NC2=CC=C(C=C2)OC 1 3.107 2 2 -8.67388083885205 6464443 CCCCC1=CC=C(C=C1)NC(=O)NC2=CN=CC=C2 1 3.227 3 1 -3.83091484178562 6464441 CC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NCC3=CC=CC=C3 1 2.99 3 1 -6.7946249360475 6464413 CCN1CCN(CC1)CC(=O)NC2=NC(=CS2)CC(=O)OCC 1 0.927 4 3 0 -11.239392005024 6464408 CC1=CC=CC(=C1)C2=NC(=CS2)CNC(=O)C3=CC=CO3 1 3.098 2 2 -3.13460996787676 6464407 CC1CC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.994 2 3 0 -17.3079272619909 6464393 CCOC1=CC=CC=C1NC(=O)NCC2=CC=CC=C2F 1 3.067 2 2 -11.5506424883963 6464386 CN1CCCN(CC1)C(=O)C2=CC=C(C=C2)Br 1 2.012 2 1 -2.22908587012137 6464369 CN1C(=C(C=N1)Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.639 4 3 0 -18.9175982825541 6464350 CC1=CC(=C(C=C1)OC)NC(=O)NC(C)C2=CC=NC=C2 1 2.226 3 2 -10.3059943606003 6464348 CC1=CC=C(C=C1)CNC(=O)NC2=CC=CC(=C2)C 1 3.502 2 1 -3.07002047097909 6464340 CN1C(=C(C=N1)Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.22 4 3 0 -18.0208853741245 6464339 CCN1C=CC(=N1)C(=O)NC2=NC=C(S2)C 1 1.184 4 1 0 -9.60837276375975 6464337 COC1=CC=C(C=C1)NC(=O)NC2=NC=C(C=C2)Br 1 2.643 3 2 -5.2376924874012 6464332 CC1=CC(=C(C=C1)C)NC(=O)NCCN2CCCCC2 1 2.974 3 1 -9.13126193928903 6464323 CCC(C(=O)N1CCCN(CC1)C)OC2=CC(=C(C=C2)C)C 1 3.079 2 2 -7.35040086686339 6464314 C1CN(CCN1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Cl 1 3.054 2 2 -4.64328089936267 6464311 CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)NC(=O)C)C 1 2.615 3 2 -5.686482585317 6464301 CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2CCCO2 1 3.841 1 2 -12.6831361213308 6464300 C1=CC=C(C=C1)CS(=O)(=O)NCCC2=CC(=CC=C2)Cl 1 3.317 1 2 -4.50755063528106 6464286 CC(C1=CC=CC=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3F 1 3.175 3 1 -5.36882374397905 6464283 CC1=CC=CC=C1CC(=O)NC2CCCC3=CC=CC=C23 1 4.158 1 1 -9.27950593660174 6464282 CCCN1C(=NN=C1SCC(=O)NC2CCCCC2)C 1 2.534 4 1 -19.1692114490186 6464279 CC1=NN=C(S1)NC(=O)CN2CCN(CC2)CC3=C(C=CC=C3Cl)Cl 1 2.56 5 1 -11.3897867251616 6464276 CC1=CC=CC=C1CC(=O)NC2CCN(CC2)C 1 1.669 2 1 0 -5.97737448452989 6464266 C1=CC=NC(=C1)CNC(=O)NC2=CC(=C(C=C2)F)Cl 1 2.464 3 1 -4.7993381226345 6464253 CC1=NN(C=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C 1 1.508 4 2 0 -7.96293179350423 6464249 C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3Cl 1 4.178 3 1 -1.439013387026 6464236 CC(C)(C)C1CCCCC1NC(=O)C2=CC=NC=C2 1 2.979 2 1 -6.87406360442501 6464232 CCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NN=C3 1 2.59 3 2 -6.35154908423468 6464227 CCC1=CC=C(C=C1)C(C)NC(=O)C2CCCO2 1 2.61 1 2 -13.4542273691418 6464202 CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.436 2 6 0 -13.827346808653 6464198 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC(F)F 1 2.224 2 5 0 -21.9075803480016 6464196 CCC1=CC=CC=C1NC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 2.261 2 3 -11.4369994559426 6464187 CC1=CC=CC=C1NC(=O)CCCN2C(=O)C3CC=CCC3C2=O 1 2.126 2 3 -12.5076597691984 6464166 CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4 1 3.007 3 3 -1.21482739212959 6464165 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NCCOC 1 0.551 3 4 0 -19.9582960149112 6464154 C1CN(CCC1C(=O)NC2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3 1 2.56 2 3 -0.376382647046589 6464153 CCC1=NC(=NN1)SCC2=CC=CC=C2C#N 1 3.042 4 0 -7.57283390847887 6464146 CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=NC=C3)C)C 1 3.417 3 3 -11.6724899947558 6464139 C1CN(CCN1C2=C(N=C(O2)C3=CC=CC=C3Cl)C#N)C(=O)C4=CC=CO4 1 3.187 4 3 0 -3.90920223319289 6464138 COC1=CC=C(C=C1)CNC/C=C/C2=CC=CC=C2.Cl Cl- 1 3.402 1 1 2.73458436645224 6464135 CC1=C(C=C(C=C1)C(=O)N2CCOCC2)S(=O)(=O)N3CCOCC3 1 0.222 2 5 0 -19.9024010037095 6464128 CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 2.933 2 3 -21.0034799485502 6464125 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 2.128 3 3 -9.39717626052074 6464123 CC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)S(=O)(=O)N3CCCCCC3 1 2.447 3 3 -23.1713855434325 6464121 C1CN(CCN1C2=C(N=C(O2)C3=CC=CC=C3F)C#N)C(=O)C4=CC=CO4 1 2.728 4 3 0 -5.54311457263928 6464120 CC1=CC(=C(C(=O)N1CC(=O)NC2=CC3=C(C=C2)OCO3)C#N)C 1 1.085 3 4 0 -12.4784227934724 6464114 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C)C(=O)C3=CC=CO3 1 2.292 3 3 1.35893447299843 6464106 CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)N3CCOCC3)C4=CC=CC=C4 1 2.434 3 3 -17.6927845632024 6464103 COC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3CC=CCC3C2=O 1 1.624 2 4 0 -10.3559332023502 6464089 COC1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 1.879 2 4 0 -5.18956546827819 6464081 CN1C(=NN=C1SCCOC2=CC=CC=C2OC)CNC(=O)C3=CC=CO3 1 2.479 4 4 0 -17.3377953678235 6464072 CN(CC1=NC(=NO1)C2=CC=C(C=C2)OC)C(=O)NC3=CC=CC=C3 1 2.302 4 3 0 -8.48339952271808e-002 6464066 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)CN3CCOCC3 1 2.087 5 2 0 -16.9618827927508 6464065 C1CN(CCC1C(=O)NC2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.053 3 3 0 -12.7002874898521 6464057 COC1=CC=CC(=C1)NC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 1.303 2 4 0 -9.37295859687517 6464046 C=CCN(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)C3=CC=CO3 1 2.422 3 3 -7.38771573391947 6464045 C1=CC=NC(=C1)CNCC2=CC=C(O2)C3=CC=C(C=C3)F.Cl Cl- 1 3.212 2 1 8.08360681254064 6464037 C1CN(CCC1C(=O)NC2=NN=C(S2)CC3=CC=CC=C3)C(=O)C4=CC=CO4 1 2.329 4 3 0 -10.3587122596676 6464032 C1CCC(C1)N2CC(CC2=O)C(=O)NC3=NN=CS3 1 0.185 4 2 0 -12.8261508422704 6464027 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OC3=CC=CC=C3 1 3.275 0 5 -9.14818654699083 6464017 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 3.036 3 4 0 -4.52816718667135 6464015 C1C(CN(C1=O)CCC2=CC=C(C=C2)F)C(=O)NCC#N 1 0.573 3 2 0 -13.9568937866137 6464013 CCOC(=O)N1CCN(CC1)CC(=O)NC2=NC3=CC=CC=C3S2 1 1.79 4 3 0 -4.28948841989151 6464007 C1CN(CCC1C(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CC=CO3 1 3.224 2 3 -0.578292644419988 6464004 C1CN(CCC1C(=O)NCC2=CC=CC=C2Cl)C(=O)C3=CC=CO3 1 2.567 2 3 -10.9116254146698 6463999 COC1=CC=C(C=C1)C2=C3C(=NC=C2)NN(C3=O)C4=CC=CC=C4 1 2.842 3 2 -0.507314722638979 6463987 COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CN=CC=C3 1 1.169 3 4 0 -12.2185917321341 6463984 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 3.595 3 3 -6.06196920920323 6463976 COC(=O)CNC(=O)C1CC(=O)N(C1)CCC2=CC=C(C=C2)F 1 0.55 2 4 0 -16.5893447981159 6463963 C1CN(CCC1C(=O)NCCCN2C=CN=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 0.636 4 3 0 -17.666390238991 6463949 CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 2.382 2 3 -2.19838133763341 6463928 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCCN3C=CN=C3 1 0.771 4 3 0 -17.373304527524 6463917 CN(CC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.299 1 5 -8.70856849317413 6463914 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C)C(=O)N3CCOCC3 1 2.391 2 4 -12.8108268478874 6463912 CC(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 1.016 3 4 0 -5.31311976330723 6463911 CC1=CC=C(C=C1)C2=NOC(=N2)C3=C(OC=C3)C 1 2.88 2 2 5.59794853945253 6463891 CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3 1 2.037 3 3 -19.5737321947598 6463885 COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=CO3 1 1.715 2 5 0 -9.59639970249311 6463883 C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C3=CN4C=CC=NC4=N3 1 2.752 4 2 -2.22068503334153 6463880 C1=CC(=CC=C1NC(=O)C2=CC=NC=C2)N3C=C(C=N3)Cl 1 2.355 4 1 0.308306204829847 6463868 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3Cl 1 1.424 3 3 0 -15.7027811960272 6463846 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)Cl 1 2.84 3 3 -22.4189441218249 6463837 COC1=C(C=C(C=C1)Cl)NC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 1.967 2 4 0 -9.69788717036943 6463825 CC1=CC=CC(=C1)C2=NOC(=N2)C3=C(OC=C3)C 1 2.88 2 2 8.70282958589819 6463821 CN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=CC=C3F 1 3.532 4 1 -14.7721705663104 6463802 C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C(=O)NCC3=CC=CC=N3 1 3.917 2 2 -7.97103044365138 6463799 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4 1 2.853 3 4 0 -3.28379192009414 6463794 CCN(CC1=NC(=NO1)C2=CC(=CC=C2)C)C(=O)C3=CC=CO3 1 2.641 3 3 -0.262616453867337 6463785 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C)C(=O)COC3=CC=CC=C3 1 2.732 3 3 -1.95570877678413 6463765 CCC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3CC=CCC3C2=O 1 2.583 2 3 -10.1824051289852 6463736 CC1=CC(=C(C=C1)OC)NC(=O)CCCN2C(=O)C3CC=CCC3C2=O 1 2.11 2 4 -12.3392036733931 6463729 CC1CCN(CC1)C(=O)CN(CC2=CC=C(C=C2)F)S(=O)(=O)C 1 1.594 2 3 0 -12.9022507291984 6463707 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCCC3 1 1.919 2 2 0 -10.9284430947785 6463685 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC(C)(C)C 1 1.613 3 3 0 -17.2612212953306 6463673 CCNCC1=CC(=C(C=C1)OCC2=CC=CC=C2F)OC.Cl Cl- 1 3.472 1 2 -4.875579436422 6463672 CC1CCCN(C1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 2.416 2 2 -9.80543307133504 6463663 CC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C(=O)C3=CC=CC=C3 1 1.849 3 4 0 -11.0603558887071 6463655 CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NCCS2 1 2.16 3 3 -20.0208532050786 6463628 CC1=C(N(C2=C1CCCC2)CCN(C)C)C(=O)C.Cl Cl- 1 3.168 2 1 -3.88949139199209 6463620 COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCCO4 1 2.105 2 6 0 -13.4095215894531 6463613 CC(C)C1=CC(=C(C=C1)OC)S(=O)(=O)NC2=NC=NN2 1 1.797 4 3 0 -6.34800476852893 6463607 C1CN(CCC1C(=O)NC2=CC=C(C=C2)Br)C(=O)C3=CC=CO3 1 2.644 2 3 -1.83304239214803 6463588 C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)C3=CC=CO3 1 1.895 2 3 0 -2.45242970253154 6463582 CC1=C(C=CC(=C1)S(=O)(=O)NC(C)C(=O)N2CCCC2)OC 1 1.421 2 4 0 -13.7195168056614 6463578 CC(C(=O)N1CCCC1)NS(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 1.599 2 4 0 -16.1545081465042 6463577 CCC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=C(C=C3)F 1 2.29 3 3 -25.8393280591661 6463570 C1C=CCC2C1C(=O)N(C2=O)CCC(=O)NC3=NC=CS3 1 0.316 3 3 0 -11.28666767633 6463560 CC1=CC(=CC=C1)NS(=O)C23CC4CC(C2)CC(C4)C3 1 3.772 1 1 6.05230319620537 6463555 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4 1 2.313 4 4 0 -9.85946933750735 6463547 CCN(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)C3=C(OC=C3)C 1 2.008 3 3 -4.19038108040213 6463533 C1C=CCC2C1C(=O)N(C2=O)CCCC(=O)NC3=CC=CC=C3Cl 1 2.305 2 3 -9.94230272177997 6463529 CC1=C(C=C(C=C1)C(=O)NC(C)C2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 2.29 2 4 -24.8930037293836 6463520 C1CCC(CC1)NC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 1.601 2 3 0 -12.7084660285064 6463518 CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 2.248 3 3 -16.7296842585818 6463512 C1CCC(C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.634 3 2 -6.01769248310134 6463507 CCOC(=O)C1CCCN(C1)CC(=O)NC2=NC=CS2 1 0.764 3 3 0 -8.36729554031142 6463506 C1CN(CCN1C2=C(N=C(O2)C3=CC=C(C=C3)F)C#N)C(=O)C4=CC=CO4 1 2.728 4 3 0 -2.94738429701682 6463499 C1CSCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N 1 0.381 2 3 0 -16.264940031003 6463482 COCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)F 1 0.891 4 3 0 -13.7046957588702 6463480 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CC(=O)N(C3)C4CCCC4)C 1 2.942 3 2 -7.14727354241161 6463474 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCC3 1 1.245 3 3 0 -14.0853849894092 6463453 CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)CC4=CC=CC=C4 1 3.806 2 3 -2.83223584363934 6463449 C1C(CN(C1=O)CCC2=CC=C(C=C2)F)C(=O)NC3=NN=CS3 1 0.893 4 2 0 -10.9033981780313 6463440 CC(C)(C)C1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 2.176 4 3 0 -6.35020838043821 6463437 C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3 1 2.567 2 3 -7.62859306707476 6463428 CCOC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2CCCC2 1 1.741 2 4 0 -13.0696619679081 6463426 CCOCCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 0.964 4 4 0 -12.7337956389574 6463423 CC(=O)NC1=CC(=C(C=C1)N2CCOCC2)C(=O)OC 1 0.655 2 4 0 -8.41749332373704 6463421 COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=CS3 1 2.273 2 4 -11.130201725025 6463420 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4 1 3.676 3 3 -6.80498264743848 6463417 CC(=O)OC1=CC=CC=C1C2=NC(=NO2)/C=C/C3=CC=CC=C3 1 3.38 2 3 2.47047330357345 6463414 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCCC3)Cl 1 3.316 2 3 -17.2729824196896 6463413 CCC(=O)NCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC=N3 1 2.119 3 2 -2.19888566977021 6463407 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)N3CCOCC3)Cl 1 1.353 2 3 0 -12.4249449991879 6463401 C1CN2CCC1C3=C2C(=O)N=CN3.Cl Cl- 1 -0.522 3 1 0 -1.75820374660466 6463398 CCCC1=NN=C(O1)SCC(=O)NC2=CC=C(C=C2)OC 1 2.291 3 3 -17.9140237148367 6463395 CC1=C(C=C(C=C1)C(=O)N2CCOCC2)S(=O)(=O)N3CCCC3 1 0.995 2 4 0 -19.5281982802533 6463381 CC1=C(C=CO1)C(=O)NCC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 2.118 3 3 0.184509260707902 6463378 COC1=CC=CC(=C1)C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC=CO4)C#N 1 2.506 4 4 0 -2.42807331782596 6463357 CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3 1 1.49 3 4 0 -15.8332586978664 6463356 CCC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCC(=O)O 1 3.386 2 3 -15.488026562152 6463353 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CN=CC=C3)Cl 1 1.706 3 3 0 -17.5708081101341 6463352 CCCC1=NN=C(O1)SCC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 3.636 3 2 -17.5880924839469 6463346 CSC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.746 5 2 0 -10.8622033701664 6463343 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C)S(=O)(=O)N3CCCCCC3 1 2.177 3 3 -15.557333969777 6463339 COCCSC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 1.322 4 4 0 -14.4004213332185 6463336 CC1=CC=C(C=C1)C2(CN3CCC2CC3)O.Cl Cl- 1 2.104 1 1 4.87033499595148 6463330 C1C=CCC2C1C(=O)N(C2=O)CCCC(=O)NC3=CC=CC=C3F 1 1.846 2 3 0 -11.1978181402198 6463323 CC1=CC=C(C=C1)C2(CN3CCC2C4=CC=CC=C43)OC(=O)C.Cl Cl- 1 3.768 1 2 1.71433129203461 6463307 CC1=C(C=C(C=C1)C(=O)N2CCCCC2)S(=O)(=O)N3CCCCCC3 1 3.137 2 3 -17.7072880343357 6463302 CC1=CC(=C(C=C1CN2CCOCC2)C)OC(=O)C3=CC(=C(C=C3)OC)OC 1 3.962 1 5 -8.71768767263542 6463294 COC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3)OC 1 1.863 2 5 0 -6.12913479837919 6463287 C1CN(CCC1C(=O)N)C(=O)CCSCC2=CC=CC=C2 1 1.366 2 2 0 -11.4059041953942 6463283 C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CN=CC=C3 1 1.958 3 3 0 -9.56487469861103 6463281 C1=CC=C(C=C1)C2=C3C(=NC=C2)NN(C3=O)C4=CC=CC=C4 1 2.859 3 1 -0.861896391858283 6463280 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3 1 2.408 2 5 0 -22.277436425651 6463276 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)S(=O)(=O)N3CCN(CC3)C 1 2.661 3 3 -19.9996224825685 6463255 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCCN3CCOCC3)C 1 1.108 3 3 0 -14.9447833451811 6463249 CC1=CC=CC=C1C2=CC(=O)N=C(N2)N3CCN(CC3)C4=CC(=CC=C4)OC 1 3.302 4 2 -1.88019134739839 6463240 CC(C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4 1 1.169 6 4 0 -13.4481597321149 6463238 C1C=CCC2C1C(=O)N(C2=O)CCCC(=O)NC3=CC(=CC=C3)F 1 1.846 2 3 0 -8.15196132757566 6463231 CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC=NC=C3 1 1.221 3 2 0 -4.11068785456262 6463230 CS(=O)(=O)N(CC1=CC=C(C=C1)F)CC(=O)NC2CCCCC2 1 2.077 2 3 -13.7001423663074 6463229 CC1=C(C=C(C=C1)C(=O)N2CCCCCC2)S(=O)(=O)N3CCOCC3 1 1.908 2 4 0 -20.2725530660955 6463219 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NC=CC(=O)N3 1 1.882 4 3 0 -12.077061390224 6463205 C1C=CCC2C1C(=O)N(C2=O)CCC(=O)NC3=CC(=CC=C3)Cl 1 1.983 2 3 0 -6.56782852571325 6463202 C1CC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 3.004 1 4 -9.11726916370329 6463185 CC1=C(C=C(C=C1)C(=O)NCC2=CC=NC=C2)S(=O)(=O)N3CCCCC3 1 1.991 3 3 0 -21.1725005937992 6463168 C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=CC(=O)N3)Cl 1 1.605 4 3 0 -12.7761486676843 6463145 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCOCC3)Cl 1 2.086 2 4 -19.4483611797753 6463138 C1=CC(=CC=C1NC(=O)C2=CC=NC=C2)N3C=C(C=N3)Br 1 2.439 4 1 0.713405333382234 6463123 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3C=CN=C3 1 0.917 4 3 0 -18.3782672644562 6463118 CC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCCCCC3 1 2.375 2 2 -10.1719100824473 6463103 CCOCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 0.716 4 4 0 -11.1136939207568 6463100 C1CCC2=NNC(=O)C=C2C1.Br Br- 1 0.971 2 1 0 -8.0064056742 6463099 C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CO4 1 2.521 3 3 -0.432985661301961 6463090 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4 1 2.505 3 4 0 -2.18468925042177 6463068 CC1=C(C(=NN1C(=O)N(C)C)C)CN2C(=O)C3=CC=CC=C3C2=O 1 1.509 4 3 0 -2.58912377196388 6463056 CC1=CC(=CC=C1)NC(=O)CCCN2C(=O)C3CC=CCC3C2=O 1 2.126 2 3 -8.05532143987698 6463047 CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3)C 1 2.868 2 3 -0.651591448816858 6463041 CCCC1=NN=C(O1)SCC(=O)NC2=NC=CS2 1 1.304 4 2 0 -19.4710273996039 6463040 CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 2.365 2 4 -3.95669317438514 6463032 CC(COC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.782 2 4 0 -18.4612638686017 6463031 CC1CCCCC1NC(=O)CN2C(=CC(=C(C2=O)C#N)C)C 1 1.918 3 2 0 -15.4515739907214 6463022 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4 1 2.491 4 3 0 -7.15035921631234 6463016 CC(C)C1=CC=C(C=C1)CNCCOC.Cl Cl- 1 2.43 1 1 -0.67301968746723 6463002 C1COCCN1CCCNC(=O)C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3 1 3.158 2 3 -8.05777954655435 6462973 CN(CC1=CC=CC=C1)CC2=CC(=O)OC3=C2C=C(C=C3)OC 1 3.5 1 3 0.226473944193848 6462968 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CN=CC=C3)Cl 1 2.162 3 3 -17.9252766243022 6462954 CC1=C(SC(=N1)NC(=O)CCN2C(=O)C3CC=CCC3C2=O)C 1 0.744 3 3 0 -10.656807307214 6462917 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)N3CCCC3 1 0.831 2 5 0 -20.2684552252929 6462908 C1COCCN1C(=O)C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3 1 3.163 1 3 -6.6068681963796 6462907 C1=CC=NC(=C1)CNCC2=CC=C(O2)C3=CC=C(C=C3)Cl.Cl Cl- 1 3.671 2 1 9.19372847766221 6462904 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 2.35 3 2 -6.49752756365298 6462902 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O 1 1.594 3 4 0 -14.9204717176297 6462900 CN1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 1.137 3 2 0 -6.46443840771193 6462894 CCSC1=CC=CC=C1C2=NC(=NO2)C3=CC=NC=C3 1 2.885 3 1 1.5476562973674 6462890 C1CCC(CC1)N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4 1 3.534 3 1 -2.38752652564048 6462884 CCN(CC1=NC(=NO1)C2=CC=C(C=C2)OC)C(=O)C3=C(OC=C3)C 1 1.992 3 4 0 -4.12883087323107 6462883 C1C=CCC2C1C(=O)N(C2=O)CCC(=O)NC3=CC=CC=C3Cl 1 1.983 2 3 0 -9.31603351099255 6462872 CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=N2)S(=O)(=O)N3CCCCC3 1 2.206 3 3 -22.853249736471 6462871 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=NN=CS4 1 0.732 5 3 0 -13.1801316535422 6462865 CC1=CC(=CC(=C1)NC(=O)N2CCCCCCC2)C 1 3.954 2 1 -5.86678188246069 6462853 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 2.162 2 5 0 -20.7005374705724 6462835 C1=CC=C2C=C(C=CC2=C1)C3=NC(=NO3)C4=CN=CC=C4 1 2.902 3 1 8.31801130004425 6462833 CCOC(=O)C1CCN(CC1)C(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.149 2 5 0 -15.3251524690329 6462831 CC1=C(C=CO1)C(=O)N(CC=C)CC2=NC(=NO2)C3=CC=CC=C3 1 2.276 3 3 -7.7360828976934 6462809 CCOC1=CC=C(C=C1)NC(=O)NC2CCS(=O)(=O)C2 1 0.786 2 4 0 -13.7828875827945 6462806 CCCC1=NN=C(O1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.25 3 2 -13.1352449160678 6462805 CC1=C(C=CC=C1Cl)NC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 2.47 2 3 -8.06075876728512 6462798 CC1=CC=CC(=C1)C2=NOC(=N2)CNC(=O)C3=C(OC=C3)C 1 1.94 3 3 0 1.27909502223295 6462784 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCSCC2)C)C 1 3.324 1 2 -7.50271551989245 6462763 CN(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)C3=CC=CO3 1 1.806 3 3 0 -2.22046298976244 6462758 CCOC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2 1 2.276 1 4 -17.7310608605518 6462751 CC(C)C1=CC(=O)N=C(N1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.964 4 1 -11.2412564663513 6462742 CN(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4 1 2.179 3 4 0 -3.79123866920698 6462741 CC1=CC(=C(C(=O)N1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C#N)COC 1 0.485 4 4 0 -11.1541309664469 6462731 COC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC 1 2.138 2 6 0 -9.41007320930557 6462725 C1CN(CCC1C(=O)N)CC(=O)NC2=NC=CS2 1 -0.573 4 2 0 -6.37569668774329 6462724 CC1=C(C=C(C=C1)C(=O)NCC2CCCO2)S(=O)(=O)N3CCCCC3 1 1.917 2 4 0 -25.2406226036253 6462719 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3)Cl 1 3.203 2 4 -18.734829536505 6462708 COC1=CC=CC=C1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC=CO4)C#N 1 2.506 4 4 0 -6.84212098539557 6462704 CC(C)N1CC(CC1=O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.07 3 4 0 -18.8087994299804 6462688 COC1=CC=CC=C1NC(=O)CCCN2C(=O)C3CC=CCC3C2=O 1 1.624 2 4 0 -13.4746817407614 6462673 CCC(C)SC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 2.703 4 3 0 -12.5052713843298 6462672 CCC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=CC=C3OC 1 2.068 3 4 0 -29.2563808604025 6462668 C1CN2CCC1C(C2)C(CC3=CC=CC=C3)(C4=CC=CC=C4)O.Cl Cl- 1 3.549 1 1 3.01161412773183 6462658 CSC1=CC=C(C=C1)CNCC2=CC=CO2.Cl Cl- 1 2.674 1 1 2.90450310877564 6462653 CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=NOC(=C2)C)C)C 1 3.401 2 3 -11.019737660833 6462652 COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCSCC2 1 0.992 1 5 0 -14.6191787998883 6462651 CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3)C 1 2.868 2 3 -2.44629615227352 6462633 C1=CC=NC(=C1)CNCC2=CC=C(O2)C3=CC=C(C=C3)Br.Cl Cl- 1 3.755 2 1 7.73706873256077 6462628 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCN3CCOCC3 1 0.794 3 4 0 -20.9706316350588 6462581 C1C(CN(C1=O)CCC2=CC=C(C=C2)F)C(=O)N 1 0.637 2 2 0 -8.16917678386996 6462583 CC1=C(C=C(C=C1)C2=CN3C=CC=NC3=N2)NC(=O)C4=CC=CS4 1 3.356 4 1 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CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=NC=C3 1 1.539 3 3 0 -11.8042778506159 6460129 CC1=C(C(=O)N2C3=CC=CC=C3N=C2N1)CCC(C)C 1 3.628 3 1 -11.728389960751 6460126 C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)NC3=CN=CC=C3 1 0.941 3 2 0 -4.44982801462313 6460124 CC1=C(C(=CC=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)C 1 3.036 5 1 -4.90473329649117 6460117 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=CC=NC=C3 1 1.7 3 3 0 -13.8587208227052 6460115 C1COCCN1CCCNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 1.711 3 3 0 -12.9605389136418 6460105 CCOC(=O)C1CCCN(C1)CCSC2=CC=C(C=C2)C.Cl Cl- 1 3.808 1 2 -2.43022668154376 6460093 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4 1 2.082 2 5 0 -19.7822325403996 6460089 CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC=CC=C2Cl 1 1.426 2 3 0 -9.28808868150827 6460081 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NCC2=CC=CC=C2 1 2.485 1 3 -13.0238502629364 6460061 CC1=NC2=C(C=CC=C2OCC3=CC=C(C=C3)F)C=C1 1 4.071 1 1 -1.06093117520887 6460014 CCC1=C(N=C(S1)NC(=O)CN2CCC(CC2)C(=O)N)C3=CC=CC=C3 1 2.187 4 2 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-8.3752506639331 6459936 CCOC(=O)C1CCN(CC1)CCCSC2=CC=C(C=C2)C.Cl Cl- 1 3.735 1 2 -1.644181115824 6459929 CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2)NC(=O)C3=CC=CC=C3 1 2.506 3 4 0 -13.772071402746 6459911 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.942 2 3 -5.12758717330019 6459908 C1CN(CCN1C(=O)CNC(=O)C2=CC=C(C=C2)Br)C(=O)C3=CC=CO3 1 1.328 3 4 0 -11.8787434345019 6459860 CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=NN2C3=CN=CC=C3)C 1 2.744 6 1 0 -23.4271388857896 6459843 COC1=C(C=C(C=C1)Cl)NS(=O)(=O)N2CCOCC2 1 0.667 2 4 0 -3.53676374965399 6459840 CCC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)OC 1 2.149 2 5 0 -18.9243746084072 6459829 CCN1C(=NN=C1SCC(=O)N2CCOCC2)CC(=O)NC3=CC=C(C=C3)Cl 1 1.676 5 3 0 -20.0755936560886 6459805 C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C(=O)NC3=CC=CC=C3 1 2.966 2 2 1.2338694591181 6459802 CC1=CC(=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)N3CCOCC3)C 1 2.252 5 3 0 -27.7435983450397 6459800 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=N3 1 2.232 3 3 -9.83457493594005 6459794 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)N3CCCCC3 1 2.06 2 4 -18.0576587077012 6459782 C1CN(CCN1C(=O)CNS(=O)(=O)C2=CC=CC=C2)C(=O)C3=CC=CO3 1 0.283 3 5 0 -12.1057583474462 6459768 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCS(=O)(=O)C3=CC=CC=C3 1 3.441 2 3 -4.86264530098202 6459758 CN1C(=NN=C1SCC(=O)N2CCOCC2)CNC(=O)C3=CC=C(C=C3)Cl 1 1.085 5 3 0 -21.3499146791829 6459738 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCC(C2)C(=O)N3CCOCC3 1 1.303 2 5 0 -15.8039826985449 6459725 CC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C 1 2.21 3 3 -11.9747755909757 6459719 CC1=CC(=C(C=C1)O)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3 1 3.458 4 2 -2.58161846916238 6459716 C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.859 2 4 0 -6.80965343873922 6459703 CCN1C(=NN=C1SCC(=O)N2CCOCC2)CC(=O)NC3=CC=C(C=C3)F 1 1.217 5 3 0 -21.1857153212101 6459696 CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC=NC=C4)C.Cl Cl- 1 2.772 2 0 0.65361466671499 6459692 C1CN(CCN1C2=CC=CC=C2)C(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F 1 2.35 3 2 -6.49752756365298 6459661 CC1=CC=C(C=C1)C(=O)NCC(=O)N2CCC(CC2)CC3=CC=CC=C3 1 3.447 2 2 -7.60095941606363 6459649 CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)NCCN2CCOCC2 1 0.598 3 4 0 -21.5947239503618 6459647 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCCC3 1 0.995 2 4 0 -21.8558689735145 6459644 C1CN(CCN1C2=CC=CC=C2)C(=O)CNC(=O)CC3=CC=C(C=C3)Cl 1 2.632 3 2 -7.02239999944775 6459638 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3 1 2.072 3 5 0 -12.703566081156 6459631 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=NC=C3 1 1.068 3 3 0 -6.16144060613501 6459613 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C43 1 2.97 2 3 -20.6227459113574 6459605 CC1=NC(=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.515 3 3 -9.65577248365375 6459598 CN1CCN(CC1)C2=NC(=O)C=C(N2)C3=CC=C(C=C3)Cl 1 1.824 4 1 0 -1.62775446428798 6459573 C1C(=O)NC2=CC=CC=C2N1C(=O)COC3=CC=CC=C3 1 1.462 2 3 0 -12.2146780038375 6459564 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)N4C=NN=C4 1 1.611 5 2 0 -3.99408183457129 6459554 CC1=C(N=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.718 3 3 -10.518434765624 6459544 CC1=CC=CC(=C1)C2=NOC(=N2)CNC(=O)NC3=CC=C(C=C3)F 1 2.804 4 2 4.10799012102065 6459530 CC1=C(OC2=C1C(=C(C=C2)OC)OC)C(=O)NCCN3CCOCC3 1 1.912 2 5 0 -2.08825120036004 6459527 CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCOCC2 1 0.333 2 4 0 -15.9362854914733 6459519 CCC(C)SC1=NN=C(S1)NC(=O)C2=CC=CO2 1 2.817 3 2 -13.0724156351445 6459512 CC1=C(C=CC(=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32)OC 1 1.799 2 4 0 -14.5457388642611 6459504 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC(NC(C3)(C)C)(C)C 1 1.853 3 3 0 -22.0586174409424 6459491 CCOC1=CC=C(C=C1)S(=O)(=O)NCCCN2C=CN=C2 1 0.877 3 3 0 -4.7337529977284 6459487 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)NC(=O)C4=CC=CO4 1 3.523 3 4 0 -6.66335864316785 6459481 CC(C1=NN=C(N1CC=C)SCC(=O)N2CCOCC2)NC(=O)C3=CC=CC=C3 1 1.522 5 3 0 -28.399962183256 6459479 CCC1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 1.897 5 2 0 -15.6432389460788 6459465 CC(C)N1CC(CC1=O)C(=O)NC2=CC=CC=C2C(=O)NC 1 0.244 3 3 0 -11.7988979743092 6459458 CC1=CC=CC=C1OC(=O)CC2=CC=C(C=C2)OC 1 3.766 0 3 -4.64560000110224 6459452 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=CN=CC=C3 1 1.7 3 3 0 -15.8576057723385 6459449 CN1/C(=C/2\C=CC=CC2=O)/NN=C1SCC(=O)NC3CCCCC3 1 2.356 4 2 -20.3397078754262 6459433 CN(C)CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.674 3 3 0 -15.3304347634982 6459430 COC(=O)C1=CC=C(C=C1)OCC(=O)NC2CCCCCC2 1 3.043 1 4 -10.3911799797289 6459419 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NCC3=CC=CO3 1 1.356 2 5 0 -23.3817970665315 6459396 CC1=CC=CC=C1NC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.784 2 3 -9.8802329587835 6459390 CC1=CC=CC=C1OCC2=CC=C(O2)C(=O)N3CCOCC3 1 2.458 1 4 -8.17964034830355 6459372 CSC1=NSC(=N1)SCC(=O)NC2=CC=CC=C2C(=O)N 1 1.943 4 2 0 -13.4558049944071 6459360 C1=CC=C(C(=C1)NC(=O)CSC2=NNN=C2)F 1 1.547 4 1 0 -9.93434481433993 6459331 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)N4C=NN=C4)Cl)Cl 1 2.939 5 2 0 -0.695220776525393 6459330 C1OC2=C(O1)C=C(C=C2)CN3C=NC4=CC=CC=C4C3=O 1 2.307 2 3 -3.15953128791059 6459312 C1COCCN1CCNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 0.341 3 3 0 -14.3545933842565 6459303 C1=CC=C(C(=C1)CNCC2=CC=NC=C2)Cl.Cl Cl- 1 2.465 2 0 2.10851023832313 6459300 CC(C(=O)NC1=NC=CS1)SC2=NN=C(N2C)C3=CC=CO3 1 1.921 5 2 0 -6.77115436180644 6459280 COC1=CC(=C(C=C1)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C 1 0.729 2 5 0 -11.9500633784485 6459253 C1CCC(C1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2 1 2.066 1 3 -15.857874786685 6459250 CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC=CC(=N2)C)C 1 1.808 4 3 0 -19.7987548066884 6459237 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4 1 3.641 3 3 -8.53273348306037 6459213 CSC1=CC=CC=C1C(=O)NC2=NC=NN2 1 1.458 4 1 0 -12.4963034121375 6459212 CCC1CCCCN1C(=O)CCS(=O)(=O)C2=CC=CC=C2 1 2.688 1 3 -18.8836096669067 6459209 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C 1 3.334 2 4 -10.6514259002822 6459195 CSC1=CC=C(C=C1)S(=O)(=O)NCCCN2C=CN=C2 1 1.087 3 2 0 -1.34944669640642 6459167 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43 1 3.423 1 4 -3.83061874552082 6459151 CC(C1=NC(=NO1)C2=CC=C(C=C2)C(C)(C)C)NC(=O)C3=CC=CO3 1 3.484 3 3 -0.492432720719952 6459142 C1=CC(=CC(=C1)NC(=O)CSC2=NNN=C2)C(F)(F)F 1 2.283 4 1 -4.31368107770152 6459138 C1CS(=O)(=O)CC1NC(=O)CC2=CC=C(C=C2)Cl 1 1.244 1 3 0 -11.8750884045854 6459134 C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 3.237 2 1 1.30189113597584 6459133 C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=NN2C3=CN=CC=C3 1 1.95 6 1 0 -19.5505483124353 6459129 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CC=CC=C3 1 2.021 3 4 0 -21.4539788411564 6459126 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCOCC3 1 0.535 2 4 0 -15.211692237142 6459123 CS(=O)(=O)N(CC1=CC=C(C=C1)F)CC(=O)N2CCCC2 1 0.886 2 3 0 -9.85867261112592 6459121 CC1=CC(=CC=C1)OCC2=CC=C(O2)C(=O)N3CCOCC3 1 2.458 1 4 -7.12950119326261 6459118 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NNN=C2 1 2.283 4 1 -9.54097933389098 6459115 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC3 1 2.361 2 4 -17.5982617783975 6459113 C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=NC=C3)Cl 1 2.623 3 3 -7.40557622076433 6459094 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N(C1=O)C 1 1.592 3 3 0 -9.66585497935149 6459091 COC1=CC=CC=C1C2=NC(=NN2)SCC(=O)NC3=CC=CC=C3F 1 3.403 4 2 -9.71469666707609 6459088 CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3CC3 1 3.61 1 1 -4.51429398511651 6459085 COC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3 1 2.074 3 4 0 -19.882233656614 6459078 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCC3 1 1.396 2 5 0 -15.7005015771993 6459077 CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)N3CCOCC3 1 1.149 5 3 0 -23.1894725797996 6459071 CCN1CCN(CC1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)C 1 2.374 4 1 -1.79221062739672 6459031 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OCC(=O)N3CCCC3 1 2.06 2 4 -18.0576587077012 6459037 C1CCN(C1)C(=O)NCC2=CC=CC=C2 1 1.62 2 1 0 -7.94549605118502 6459068 CSC1=NSC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.943 4 2 0 -14.167056787127 6459052 COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)N3CCCCC3 1 2.547 3 4 0 -8.55884771865115 6459014 CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)OCC(=O)NCC3=CN=CC=C3 1 2.287 3 4 0 -13.659381506175 6459013 CC(C1=NC(=NO1)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3 1 2.748 3 3 -1.24856817924444 6459000 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCC3 1 2.817 2 4 -17.9527302925655 6458991 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)N3CCCCC3 1 2.941 3 3 -14.6580644203179 6458989 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.354 3 4 0 -7.83318069359342 6458942 CCOC(=O)C(C)N1CC(=O)N(C1=O)C2=CC=CC=C2 1 1.368 2 4 0 -13.1357855276359 6458937 CCOC1=C(C=CC(=C1)S(=O)(=O)NCCCN2C=CN=C2)Cl 1 1.542 3 3 0 -6.87560210121622 6458922 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C 1 1.579 5 2 0 -15.688375381515 6458916 C=CCN1C(=NN=C1SCC(=O)N2CCOCC2)CNC(=O)C3=CC=CC=C3F 1 1.243 5 3 0 -29.4904342559538 6458907 CCN(CC(=O)N1CCOCC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)C 1 1.067 2 5 0 -18.1382790932662 6458895 C=CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.152 2 3 -19.2540208036005 6458894 C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.26 2 5 0 -17.9602338498127 6458873 CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)C(=O)O 1 2.608 2 4 -8.82254241396234 6458872 C1CN(CCN1C2=CC=CC=C2)C(=O)CNC(=O)C3=CC=CS3 1 1.886 3 2 0 -9.06554762135842 6458867 CC1=CC=C(C=C1)CN2C(=O)CC(C2=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.677 3 3 -6.88774117894371 6458866 CC1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=CC=N3 1 2.978 5 1 -9.31426414046802 6458860 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCC3 1 2.077 2 4 -13.935317922466 6458857 C1CCC(CC1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2 1 2.522 1 3 -16.212343300853 6458834 CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)OCC(=O)NCC3=CC=CC=N3 1 2.502 3 4 0 -13.2770919162046 6458818 CC1CC2=CC=CC=C2N1C(=O)C3=CC=C(O3)Br 1 3.236 1 2 -8.38322021392957 6458813 CCN1C(=NN=C1SCC(=O)N2CCOCC2)CC(=O)NC3=CC(=CC=C3)OC 1 0.995 5 4 0 -21.9538531611319 6458806 CCN1C(=NN=C1SCC(=O)N2CCOCC2)CC(=O)NC3=CC=C(C=C3)OC 1 0.995 5 4 0 -22.3105585558195 6458805 CCOC(=O)CN1C(=CC(=N1)NC(=O)C2=CC=C(C=C2)C(=O)OC)C 1 1.86 3 5 0 -14.8127383757274 6458800 CC1=NC2=C(C=C1)C(=CC=C2)NC(=O)C3=CC=CO3 1 2.478 2 2 -4.7292923006302 6458794 CC1=NN(C=C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3 1 1.983 2 4 0 -11.1439322026155 6458793 CCC(CO)NCC1=CC=C(C=C1)Br.Cl Cl- 1 2.477 1 1 2.69723927498593 6458731 CC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C 1 2.315 3 3 -7.26784111555131 6458740 CC1=CC=CC=C1C2=NOC(=N2)C(C)NC(=O)C3=CC=CO3 1 2.57 3 3 -5.19122214242645 6458748 CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)NCCCN2C=CN=C2 1 0.576 4 3 0 -18.0844941997632 6458768 CC1=CC2=C(S1)N=CN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.233 4 1 -4.07427426425364 6458727 CSC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OCC=C 1 3.756 1 2 -15.2771379043818 6458718 COC1=C(C=C(C=C1)Cl)NC(=O)C2CCCN(C2)S(=O)(=O)C 1 1.41 2 4 0 -9.66994234088515 6458707 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)N4C=NN=C4)Cl 1 2.275 5 2 0 -2.40928721655712 6458685 CC(C)OC1=CC=CC(=C1)C(=O)NC2=NC=NN2 1 1.626 4 2 0 -10.485160313462 6458680 CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3)C 1 2.515 2 4 -21.5434077101385 6458673 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)N(C1=O)C 1 2.094 3 2 -11.0187172654845 6458656 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CO4 1 3.036 3 4 0 -4.32508642885724 6458636 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3)F 1 2.592 1 4 -7.16662938278164 6458634 CCC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CN=CC=C3 1 2.228 6 1 0 -22.4414614783951 6458630 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCOCC3 1 0.186 2 4 0 -13.0247361320872 6458628 CCN1C(=NN=C1SCC(=O)N2CCOCC2)CC(=O)NC3=CC=CC=C3F 1 1.217 5 3 0 -23.1524434936891 6458577 CC1=C(SC=C1)CNCCC2=CC(=C(C=C2)OC)OC.Cl Cl- 1 3.465 1 2 -2.61757347554532 6458572 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=CC=C2F 1 2.446 1 3 -14.3192731158095 6458547 CN1C=NC2=C1C=CC(=C2)NC(=O)COC3=CC=CC=C3 1 2.171 3 2 -5.06801696985915 6458533 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.337 4 3 0 -14.0934316987054 6458526 C1COCCN1S(=O)(=O)NC2=CC(=C(C=C2)Cl)Cl 1 1.348 2 3 0 -1.30594633477726 6458525 CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C)C4=CC=NC=C4 1 1.517 7 2 0 -18.9178502328254 6458521 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC(=NS2)SC 1 2.061 4 2 -13.1165661543688 6458507 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCC3 1 2.496 2 4 -17.3592762547953 6458506 C1COCCN1C(=O)C2=CC=C(O2)COC3=CC=CC=C3Cl 1 2.636 1 4 -8.83663460203548 6458480 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3OC)N(C1=O)C 1 1.872 3 3 0 -13.4969006474935 6458472 CC1=CC=CC=C1CNC(=O)C2=CC3=CC=CC=C3O2 1 3.702 1 2 -3.75079795275221 6458471 COC1=CC=C(C=C1)CC(=O)OC2=CC=C(C=C2)F 1 3.485 0 3 -4.26830880858295 6458470 C1CN(CCN1C2=CC=CC=C2F)C(=O)CNC(=O)CC3=CC=CC=C3 1 2.173 3 2 -8.99311205017027 6458429 CC1CN(CC(O1)C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 1.762 2 4 0 -21.1756491031342 6458428 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2CC(=O)NC3=CC=CC=C32 1 0.538 3 4 0 -15.9063858809225 6458425 COC1=CC=C(C=C1)CCC2=NC(=NO2)C3=CC=CS3 1 3.573 2 2 -3.63324176830421 6458412 C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC3=NSN=C32)Cl 1 3.242 3 2 -3.92016927761302 6458411 CC1=CC(=C(C=C1)O)NC(=O)CC2=CC3=CC=CC=C3C=C2 1 3.802 1 2 0.521669229640025 6458409 CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4C=C3 1 2.902 3 2 -4.23031229267602 6458406 C1CC(OC1)CNC(=O)C2=CC3=CC=CC=C3O2 1 1.991 1 3 0 -6.96863449788813 6458380 COC1=C(C=C(C=C1CNCC2=CC=CC=C2)Cl)Cl.Cl Cl- 1 4.263 1 1 5.59493420154529 6458372 C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)Cl 1 3.901 2 1 4.2317361933905 6458367 CC1=CC=CC=C1C2=NOC(=N2)CNC(=O)COC3=CC=CC=C3 1 2.526 3 3 -6.20562961819425 6458354 C1CCC(C1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.035 1 2 -1.41756150398786 6458349 CC1=CC=CC=C1NC(=O)CSC2=NNN=C2 1 1.827 4 1 0 -11.2441864433185 6458334 CCOC(=O)CN1C(=CC(=N1)NC(=O)C2=CC(=CC(=C2)OC)OC)C 1 1.972 3 5 0 -15.175005882709 6458328 CC1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC=CS3 1 3.2 2 3 -7.65512647407477 6458326 CCC1=NN=C(N1C)SC(C)C(=O)NC2=NC=CS2 1 1.528 5 1 0 -11.4693195067535 6458298 C1OC2=C(O1)C=C(C=C2)C3=NC(=NO3)C4=CC=CC=C4 1 2.913 2 3 6.22485645572892 6458297 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3)OC 1 2.222 3 4 0 -19.6384245034357 6458272 COCCSC1=NN=C(S1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2 1 1.667 3 4 0 -24.6161523765437 6458268 CC(C)C(C(=O)N1CCCC1)NS(=O)(=O)C2=CC=CC=C2 1 1.794 2 3 0 -19.437186259657 6458264 CSC1=CC=C(C=C1)CNCC2CCCO2.Cl Cl- 1 2.268 1 1 0.24383240592394 6458257 CC1=CC=C(C=C1)CNC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.747 2 5 0 -24.6071000732174 6458254 CC1=NC(=NN1)SCC2=CC=C(C=C2)C#N 1 2.375 4 0 -6.88862309104305 6458248 CC1=C(C=C(C=C1)Cl)NS(=O)(=O)N2CCOCC2 1 1.17 2 3 0 -2.4279297916127 6458229 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)N3CCCCC3 1 3.142 2 3 -10.7868291749707 6458225 CCOC(=O)CN1C(=CC(=N1)NC(=O)C2=CC3=C(C=C2)OCO3)C 1 1.773 3 5 0 -14.6848931197753 6458208 CC(C)C1=CC(=O)N2C3=CC=CC=C3N=C2N1 1 2.404 3 1 -4.84720915155997 6458205 CCOC(=O)CN1C(=CC(=N1)NC(=O)COC2=CC=C(C=C2)F)C 1 2.045 3 4 0 -12.070923832992 6458180 C1CN(CCN1C2=CC=CC=C2F)C(=O)CCS(=O)(=O)C3=CC=CC=C3 1 2.704 2 3 -9.95290400063889 6458174 C1CC(OC1)CNC/C=C/C2=CC=CC=C2.Cl Cl- 1 2.194 1 1 -1.8515840809712 6458173 CCN1C(=NN=C1SCC(=O)NC2CCCC2)CC(=O)NC3=CC=CC=C3 1 2.52 5 2 0 -20.7332650718335 6458157 CC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)N(C=N3)C 1 2.657 3 2 -4.50292569834655 6458154 CC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CC=CS2 1 2.534 1 3 -7.1040524508039 6458151 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3 1 2.04 2 5 0 -18.1244262237329 6458143 CC1=CC=C(C=C1)SCCSC2=NC(=O)C=C(N2)N 1 2.911 3 1 -7.30446937891879 6458137 CCN(CC)C1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C.Cl Cl- 1 2.187 5 0 4.49971444446768 6458136 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3CC3)C 1 2.71 2 3 -12.0091140950559 6458134 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F 1 2.555 3 2 -7.0625433107283 6458126 COC(=O)C1=CC=CC=C1NC(=O)NCC2=CC=CC=C2 1 2.385 2 3 -13.7108723608977 6458112 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)NC 1 1.797 2 5 0 -13.9700030128565 6458103 CC1=C(C(=CC=C1)C)NC(=O)CN2CCC3=CC=CC=C3C2 1 3.587 2 1 -10.6190627169135 6458101 CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3OC)N(C1=O)C 1 1.708 3 4 0 -15.9352381438365 6458098 C1CC2=CC=CC=C2N(C1)C(=O)CCS(=O)(=O)C3=CC=CC=C3 1 2.977 1 3 -16.3381703622611 6458086 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)N3CCCCC3 1 3.043 3 3 -9.08086267752481 6458083 CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=CC=CC(=C3C)C 1 3.468 3 3 -8.32596953083229 6458062 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2)NC(=O)C3=CC=CC=C3 1 1.942 3 4 0 -10.4102051003105 6458060 CC1=CC2=C(S1)N=CN=C2SCC(=O)NC3=CC=C(C=C3)OC 1 2.958 3 2 -7.15539008863681 6458057 CC(C1=NC(=NO1)C2=CC=CC=C2Cl)NC(=O)C3=CC=CO3 1 2.748 3 3 -5.75175222635153 6458049 C1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)NC3CCCC3 1 2.309 2 4 -14.3377086692735 6458038 C1=CC=C(C(=C1)C#N)NC(=O)CSC2=NNN=C2 1 1.22 5 1 0 -11.2175294698327 6458036 CCC1=CC2=C(N=C(N=C2S1)C)NC3=CC=C(C=C3)O.Cl Cl- 1 3.727 3 1 -0.11307447363711 6458034 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CC=CC=C3F 1 1.878 3 4 0 -20.4895207621925 6458024 CCOC(=O)C1CCN(CC1)C(=O)COC2=CC3=C(C=C2)OCO3 1 1.523 1 6 0 -11.8996137736373 6458011 CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=N4 1 3.829 3 2 6.26773995511014 6458002 CCOC(=O)C1=CN2C(=NC(=N2)SCC3=CC=CC=C3)N=C1C 1 3.373 4 2 -12.1551070365892 6457998 CC1=CC(=CC=C1)NC(=O)CSC2=NNN=C2 1 1.827 4 1 0 -6.79184811399712 6457997 COC1=CC=CC=C1C2=NC(=NN2)SCC(=O)NC3=CC=CC=C3 1 3.197 4 2 -8.61649965843576 6457994 CC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.39 5 1 0 -4.09205642569339 6457989 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=NN=C4)Cl 1 2.275 5 2 0 -1.8264770468612 6457966 C1OC2=C(O1)C=C(C=C2)OCC(=O)NC3=NC=CS3 1 1.215 2 4 0 -8.79165096592683 6457960 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CC3=CC=C(C=C3)Cl 1 3.935 2 1 -9.66692506514983 6457936 CC(=O)NC1=CC=C(C=C1)OCC2=CC3=C(C=C2)OCO3 1 2.285 1 4 -5.51241064635183 6457934 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3 1 1.392 3 4 0 -20.3423917359321 6457921 CCN(C1C2CC3CC(C2)CC1C3)C(=O)C4=CC=CO4 1 3.245 1 2 -1.98393493917493 6457916 CNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)OCC(=O)N3CCCC3 1 2.e-002 3 4 0 -14.6129005328302 6457913 CC1=CC(=C(C=C1OC)S(=O)(=O)NC2CCCC2)OC 1 2.596 1 4 -6.10206017098381 6457907 CC1CN(CC(O1)C)C(=O)C2=CC=C(O2)COC3=CC=CC=C3Cl 1 3.391 1 4 -12.5541513930997 6457905 C1=CC(=CN=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N.Cl Cl- 1 0.827 3 2 0 -6.19642748486262 6457894 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC4=CC=CC=C43 1 2.15 2 3 -14.8274742553913 6457883 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CC(OC(C3)C)C 1 1.29 2 4 0 -16.3613273909286 6457861 CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC=CC=C2 1 2.734 2 3 -9.73026923397372 6457824 C1=CC=C(C=C1)OCC(=O)NC2=CN(N=C2)CCCC(=O)O 1 1.15 3 4 0 -14.271438344774 6457810 C1=CC=C(C=C1)SCCNC(=O)C2=CC=CC=C2F 1 3.434 1 1 -8.6455860825272 6457804 CC1=CC(=O)NC(=O)N1C2=CC=C(C=C2)OC 1 1.268 2 3 0 -6.30816067089009 6457794 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCCC3 1 2.225 2 3 -19.6450724559228 6457780 COC1=C(C=C(C(=C1)CO)Br)OCC(=O)N 1 0.795 1 4 0 -7.37110142362872 6457777 CCCN1C(=O)C2=C(N=C3N2CCN3CC4=CC=CO4)N(C1=O)C 1 1.44 5 3 0 -9.09422360182449 6457762 CCN(CC)C1=NC(=NC2=CC=CC=C21)N3CCOCC3.Cl Cl- 1 1.918 4 1 0 -6.87770742587446e-002 6457755 C1CN(CCN1CCO)C(=O)NCC2=CC=CC=C2 1 0.577 3 2 0 -4.73106357565938 6457754 CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3CCCC3 1 2.416 5 2 0 -22.898089177583 6457728 CCOC(=O)CSC1=NC2=C(C=C(C=C2)C)N3C1=NN=C3 1 2.863 4 2 -9.42891758572287 6457724 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F 1 1.894 3 3 0 -16.9858890396463 6457713 COC1=C(C=C(C=C1CNCCO)Cl)Cl.Cl Cl- 1 2.14 1 2 5.55666938374761 6457707 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=CC=CC=C3O2 1 2.047 2 4 -0.316146327345206 6457694 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3)C(=O)NC 1 1.78 2 5 0 -12.524701859288 6457674 COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)N3CCCCC3 1 2.54 3 4 0 -11.4717461075319 6457658 CC1=C(C=C(C=C1)S(=O)(=O)NCCCN2C=CN=C2)C(=O)NC(C)C 1 0.965 4 3 0 -16.3289948776395 6457652 C1=CSC(=C1)C(=O)NCCC2=CN=CN2 1 0.788 3 1 0 -6.25327239261272 6457650 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=CC=NC=C4 1 2.092 6 2 0 -12.3202724835999 6457646 CC(CNCC1=C(C=C(C=C1)Cl)Cl)O.Cl Cl- 1 2.534 1 1 3.59630040424115 6457636 CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C)C 1 2.801 3 3 -7.4242587271865 6457634 CCC1=NN=C(N1CC)SCC(=O)N2CCC3=CC=CC=C32 1 2.676 4 1 -19.8953335702826 6457630 CC1CCCN(C1)C(=O)COC2=CC3=C(C=C2)OCO3 1 2.083 1 4 -9.57913501940989 6457628 C1=CC=C(C=C1)C(CNCC2=CC(=CC=C2)Cl)O.Cl Cl- 1 3.104 1 1 2.16104385291503 6457620 CC1=CC(=C(C=C1OC)S(=O)(=O)NCC2=CC=NC=C2)OC 1 1.627 2 4 0 -1.80814431421644 6457609 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=N3 1 2.058 3 4 0 -17.8826074311711 6457606 CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.259 3 4 0 -12.2919756368963 6457604 C1COCCN1S(=O)(=O)NC2=CC(=CC(=C2)Cl)Cl 1 1.348 2 3 0 -2.7263654803387 6457597 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(C)C2CCCCC2 1 3.214 1 3 -13.5786471808998 6457568 COC1=CC=C(C=C1)CNC(=O)CSC2=NC(=NS2)SC 1 2.931 3 2 -14.3872517897134 6457564 C1CN(CCN1C2=CC=CC=C2)C(=O)CNC(=O)C3=CC=CO3 1 1.328 3 3 0 -7.50853098259663 6457552 CC1=C(C(=CC=C1)OCC2=NNN=N2)C 1 2.107 4 1 -2.13478814078423 6457540 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3F 1 1.46 2 5 0 -21.9176281373206 6457539 C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.164 3 3 -13.380840059652 6457525 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3Cl 1 2.902 3 4 0 -11.3577498081732 6457519 CCC1=CC2=C(C=C1)NC(=C(C2=O)CC3=CC=CC=C3)O 1 4.529 1 2 -2.61395220656297 6457512 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)N3CCCCC3 1 3.043 3 3 -5.57423788598045 6457510 C1CN(CCN1C2=CC=CC=C2F)C(=O)CNC(=O)C3=CC=CO3 1 1.533 3 3 0 -6.67401644094033 6457500 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2)NC(=O)C3=CC=CC=C3F 1 2.147 3 4 0 -11.0524029247975 6457497 C1=CC=C(C=C1)COC2=CC=CC(=C2)CNCC3=CC=CC=N3.Cl Cl- 1 3.582 2 1 -0.246082376084512 6457492 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 2.112 3 4 0 -9.21165342860081 6457485 CSC1=CC=CC=C1C(=O)NCCCN2C=CN=C2 1 1.384 3 1 0 -11.4147100623462 6457460 C1CC(OC1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)O 1 1.826 2 4 0 -12.8012367138167 6457455 CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2 1 1.846 1 4 0 -16.7102412923971 6457426 CC1=CC2=C(S1)N=CN=C2SCC(=O)NC3CCCC3 1 2.8 3 1 -9.97191835181309 6457423 C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=CC=C3O 1 2.972 4 2 -2.76160020101206 6457413 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)C(=O)N3CCCC3 1 2.678 2 3 -9.06998817423103 6457392 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CC3)OC 1 1.219 2 5 0 -21.0628059413449 6457385 CC1=C(C(=CC=C1)C)OCC(=O)NC2=C(N(N=C2C)C)C 1 2.5 3 2 -7.88088704241657 6457312 CSC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl 1 3.506 2 3 -1.52430563858832 6457308 COC1=C(C=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3O2)OC 1 3.183 1 4 -7.28532676928923 6457206 COC1=C(C(=CC(=C1)CNC2CCCCCCC2)Cl)OC.Cl Cl- 1 4.77 1 2 1.20811007359081 6457176 CC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C 1 2.911 3 4 0 -6.27406598766568 6457175 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)N2CCCCC2 1 1.877 3 4 0 -17.0346664034769 6457154 C1CCN(CC1)C(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.825 2 2 -10.9149476693704 6457151 CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=CC=C3 1 2.424 3 4 0 -6.76229999963449 6457149 CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 4.407 3 3 -0.294045318593174 6457128 C1CCC(CC1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 3.369 3 2 -5.18230487112124 6457116 C1=CC(=CC=C1OCC(=O)NCCCNC(=O)C2=CC=NC=C2)Br 1 1.39 3 3 0 -12.8055631440398 6457115 CC1=CC=CC=C1OCC(=O)NCCCNC(=O)C2=CC=NC=C2 1 1.128 3 3 0 -13.0940448299814 6457114 CCCOC1=CC=CC(=C1)C(=O)NCCCNC(=O)C2=CC=CC=N2 1 2.091 3 3 -13.6278321888575 6457101 C1=CC=NC(=C1)C(=O)NCCCNC(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.563 3 2 -10.0680988223409 6457096 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2)C(=O)NC3CCCCC3 1 2.726 3 3 -12.5977792977741 6457051 C1=CC(=CC=C1CNC(=O)NC(=O)C2=CC=C(C=C2)Cl)F 1 3.271 2 2 -4.4536466135467 6457050 C1CCCN(CC1)C(=O)NC(=O)C2=CC=C(C=C2)Cl 1 3.061 2 2 -4.14936342277262 6457048 C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)N3CCOCC3 1 0.571 4 4 0 -14.6603811043399 6457045 CC1CCCCN1C(=O)C2=CC=C(C=C2)CS(=O)(=O)C3=CC=C(C=C3)C 1 4.134 1 3 -16.7855647460249 6457026 CC1CCN(CC1)C(=O)CNC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C 1 0.721 3 4 0 -19.7216626746463 6457023 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)N2CCCCCC2 1 2.333 3 4 0 -17.0346664034769 6457006 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(=O)N4CCOCC4 1 1.474 3 4 0 -12.9666871474653 6457004 CC1=CC=C(C=C1)C(=O)NCCCNC(=O)C2=CN=CC=C2 1 1.292 3 2 0 -10.3268233933834 6456987 C1=CC=C(C(=C1)OCC(=O)NCCCNC(=O)C2=CC=NC=C2)Cl 1 1.306 3 3 0 -13.7510390837133 6456985 CC1=CC(=CC=C1)OCC(=O)NCCCNC(=O)C2=CC=CC=N2 1 1.556 3 3 0 -13.8491896362497 6456984 CC1=CC=C(C=C1)C(=O)NCCCNC(=O)C2=CC=CC=N2 1 1.721 3 2 0 -11.9255259172685 6456979 C1CCC(CC1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br 1 2.777 2 3 -11.5077085509912 6456978 CC1=CC(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C 1 2.911 3 4 0 -5.32206110274853 6456971 CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CS3 1 2.543 3 3 -6.56171020629857 6456969 C1=CC=NC(=C1)C(=O)NCCNC(=O)C2=CC=C(C=C2)Cl 1 1.837 3 2 0 -8.95128739887514 6456959 CN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 4.394 1 2 -5.43699793787873 6456958 CC1=CC(=CC=C1)OCC(=O)NCCCNC(=O)C2=CC=NC=C2 1 1.128 3 3 0 -12.0790593003864 6456953 C1CCN(C1)C(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.369 2 2 -10.5604791552023 6456952 COC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=CC=CC=N2)Br 1 1.967 3 3 0 -12.7897740197214 6456951 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)N2CCCC2 1 1.421 3 4 0 -16.6801978893088 6456939 CCN(CC1=NC2=CC=CC=C2N1C)C3=CC=CC=C3 1 3.839 3 0 0.719084981844805 6456930 COC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=CN=CC=C2)OC 1 0.773 3 4 0 -15.2977937429898 6456925 CC(C1=CC=CC=C1)NC(=O)NC(=O)C2=CC=C(C=C2)Cl 1 3.443 2 2 -7.44488509343739 6456922 C1COCCN1C(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 1.596 2 3 0 -12.483244119146 6456892 C1=CC(=CC=C1OCC(=O)NCCCNC(=O)C2=CC=NC=C2)Cl 1 1.306 3 3 0 -11.3489033989383 6456891 CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl 1 4.459 3 4 0 1.61469521906283 6456890 CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=CC=C3Cl 1 3.089 3 4 0 -6.85420298185382 6456886 CC(C1=NC(=O)C2=CC=CC=C2N1)SCC(=O)NC3=CC=C(C=C3)F 1 2.636 3 2 -9.32618867354324 6456882 CC1=NC=C(N1CC(=O)NC2CCCCCC2)[N+](=O)[O-] 1 1.577 4 3 0 -14.2275939252189 6456877 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)NC(=O)C3=CC=C(C=C3)Cl 1 3.982 3 2 3.11913593124054 6456870 CC1=CC=CC=C1C(=O)NCCCNC(=O)C2=CC=CC=N2 1 1.721 3 2 0 -15.2531344458525 6456866 CCOC1=C(C=CC(=C1)S(=O)(=O)NC2=NC=NN2)Br 1 1.7 4 3 0 -8.12369010046608 6456861 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC=NN2 1 0.951 4 3 0 -6.87983739301297 6456845 CC1=CC(=C(C=C1CN2CCOCC2)C)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.89 2 5 0 -7.42290589199428 6456768 CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.988 2 2 -12.7090932082981 6456759 CC(=O)C1=CC(=CC=C1)NS(=O)(=O)N2CCOCC2 1 -0.241 2 4 0 -6.40422519271806 6456743 CC1=CC(=NO1)C2=NN=C(O2)SCCC(=O)NC3=CC=CC=C3 1 2.125 4 3 0 -20.2664051640721 6456737 CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)CN3CCOCC3 1 0.726 6 5 0 -15.1292675345181 6456709 COC1=CC(=C(C=C1)NC(=O)CCC(=O)N2CCOCC2)[N+](=O)[O-] 1 0.145 3 6 0 -16.6366928125403 6456706 COC1=CC(=C(C=C1)NC(=O)CCC(=O)N2CCCC2)[N+](=O)[O-] 1 0.918 3 5 0 -14.7139278485966 6456698 COC1=CC(=C(C=C1)NC(=O)CCC(=O)NCC2=CC=CO2)[N+](=O)[O-] 1 1.017 3 6 0 -17.4461789637562 6456697 C1CCCN(CC1)C(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.847 3 4 0 -14.6294341499411 6456675 C1CCC(CC1)(CC2=CC=C(C=C2)O)N3CCCC3.Cl Cl- 1 4.158 1 1 3.63940113948953 6456674 CCOCCC1=NN=C(S1)NS(=O)(=O)CC2=CC=CC=C2 1 1.392 3 3 0 -14.2257775777862 6456670 C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=C(C=C(C=C3)Br)F)NC4=CC=CC=C4 1 3.783 6 2 0 -8.38630879689416 6456664 CC1=CC(=C(C=C1)OCC(=O)NC2=NOC=C2)[N+](=O)[O-] 1 1.823 3 5 0 -7.42842678429109 6456617 COC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3C=C2)OC 1 3.307 2 3 -5.34873164905671 6456612 C1=CC=C(C=C1)COCCNC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.265 1 2 -15.0254947783458 6456591 CC1(C2CCC1(C(=O)N(C2=O)CC(CN3CCCCC3)O)C)C.Cl Cl- 1 1.843 2 3 0 -7.69333731597011 6456547 COC1=CC=C(C=C1)OCC(CN2CCCCC2)O.Cl Cl- 1 2.342 1 3 -3.20053794875385 6456545 CCCCOC1=C(C=C(C=C1)CSCCN)Cl.Cl Cl- 1 3.526 1 1 -5.2062532167999 6456544 COC1=CC=C(C=C1)C/C(=N/N2C=NN=C2)/N 1 0.306 5 1 0 6.52634667493004e-003 6456528 CN1C2CCC1C=C(C2)N(C3=CC=C(C=C3)OC)C(=O)/C=C/C4=CC=CC=C4.Cl Cl- 1 3.91 2 2 -1.23126904101273 6456525 CCN(CC)CC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl Cl- 1 4.389 2 1 4.28375954551587 6456511 C1=CC=C(C=C1)OC2=CC(=CC(=C2)N)OC3=CC=C(C=C3)N.Cl Cl- 1 3.457 2 2 3.35642874163198 6456491 CCN(CC)CCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC=C3)O.Cl Cl- 1 3.117 4 2 -4.42429156056511 6456485 CN1C2=C(C=C(C=C2)OC)N3C1=NCC3.Cl Cl- 1 1.167 3 1 0 -3.65441225929463 6456468 CN1CCN(CC1)C(=O)CC2=CC(=C(C=C2)OC)OC.Cl Cl- 1 1.203 2 3 0 -9.42251447690184 6456430 CN(C)CCCNC(=O)N1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl Cl- 1 3.086 3 1 -4.67951381378892 6456368 CCOC(=O)N1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3.Cl Cl- 1 2.311 3 2 1.81048282708094 6456085 C1COCCN1CC#CC2=CC=CC=C2.Cl Cl- 1 2.181 1 1 3.1536957182528 6451074 CC[C@H](C)/C=C(\C)/C=C/C1=CC2=CC(=O)[C@]3([C@@H](C2=CO1)[C@@H](C(=O)O3)C(=O)C)C 1 2.944 0 5 -4.83566585071581 6450453 C/C=C(/C)\C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)/C(=C\C)/C 1 5.048 0 7 0 -8.31261329211748 6449251 CC1(CC2=CC(=C(C=C2/C(=C/C(=O)N3CCOCC3)/N1)OC)OC)C.Cl Cl- 1 1.259 2 4 0 -13.81456165971 6446975 CN(C)CC/C=C/1\C2=C(C=C(C=C2)F)SC3=CC(=C(C=C31)Cl)F.Cl Cl- 1 5.535 1 0 3.66363259706399 6446974 CN(C)CC/C=C/1\C2=CC=CC=C2SC3=CC(=C(C=C31)Cl)F.Cl Cl- 1 5.329 1 0 3.18433186038501 6446777 CN(C)CC/C=C\1/C2=C(C=C(C=C2)F)SC3=C1C=C(C=C3)Cl.Cl Cl- 1 5.329 1 0 6.67091060798639 6446728 CN(C)CC/C=C\1/C2=CC(=C(C=C2SC3=C1C=C(C=C3)Cl)F)F.Cl Cl- 1 5.535 1 0 5.95235984053888 6445118 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.68 3 4 0 -5.07223441530618 6462567 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3CCC(CC3)C(=O)N 1 1.861 4 2 0 2.33789809284906e-002 6462564 CC(C)(C)CC(=O)NC1=CC=CC(=C1)C2=CN3C=CC=NC3=N2 1 2.834 4 1 -3.53746611613488 6462538 COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC=CO3 1 1.886 2 4 0 -9.86355796680571 6462534 CN1C2=C(C(=CC(=N2)C(=O)OC)C3=CC=C(C=C3)Br)C(=O)N(C1=O)C 1 2.915 3 4 0 -8.16363387563654 6462528 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 1.973 3 5 0 -18.5952997732944 6462526 CC1CC(CN(C1)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3C)C 1 2.557 2 2 -12.1425894393029 6462496 CC1=CC(=C(C(=O)N1CC(=O)N2CCC3=CC=CC=C32)C#N)C 1 1.598 3 2 0 -14.8030829012333 6462495 C1CN(CCC1C(=O)N)C(=O)CCSCC2=CC(=C(C=C2)Cl)Cl 1 2.695 2 2 -9.26976393336108 6462440 CC1=C(C=C(C=C1)C(=O)NC2=CN=CC=C2)S(=O)(=O)N3CCCCCC3 1 2.44 3 3 -18.3595822389482 6462438 CC1=CC(=O)N=C(N1)N2CCN(CC2)C3=CC(=CC=C3)OC 1 1.581 4 2 0 -6.91558497285444 6462431 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.654 2 4 0 -7.7828336593467 6462427 COC1=CC2=C(C=C1)OC(=O)C=C2CN3CCOCC3 1 1.604 1 4 0 -5.81618370343018 6462422 CCOC1=CC=C(C=C1)C2=NON=C2NC(=O)C3=CC=CO3 1 2.632 3 4 0 -3.96549552302655 6462390 CCOC1=C(C=CC(=C1)CNC)OCC(=O)NC(C)(C)C.Cl Cl- 1 1.674 2 3 0 -16.6903416582442 6462372 CN(CC1=NC(=NO1)C2=CC=C(C=C2)OC)C(=O)C3=CC=CO3 1 1.789 3 4 0 -2.0615185560666 6462369 C1CN(CCC1C(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC=CO3 1 2.101 2 3 -0.50476989852774 6462337 CC1=C(C=C(C=C1)C(=O)N(C)CC2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 2.118 2 4 -19.7280722525762 6462329 CC1=C(C=CO1)C2=NC(=NO2)C3=CC=C(C=C3)OC 1 2.378 2 3 5.37327892464219 6462322 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)OC)C(=O)N3CCCCC3 1 3.118 2 4 -9.48411491867174 6462315 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2)C(=O)NCC(C)C 1 2.06 3 3 -12.3264034557927 6462308 CC1=CC(=C(C=C1C)S(=O)(=O)NC2=NC=NN2)C 1 2.078 4 2 -4.45351290351182 6462275 C1CSCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)O 1 1.009 1 4 0 -14.1624329158358 6462258 C1CN(CCC1C(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.717 3 3 0 -10.1617329548347 6462249 CC(=O)OC1(CN2CCC1C3=CC=CC=C32)CC4=CC=CC=C4.Cl Cl- 1 3.604 1 2 2.36854298353912 6462244 CC1=C(C=CO1)C(=O)NCC2=NC(=NO2)C3=CC=C(C=C3)OC 1 1.437 3 4 0 -2.05045563902306 6462239 CC1=CC(=C(C(=O)N1CC(=O)NCC2=CC=CC=C2)C#N)C 1 1.324 3 2 0 -14.8158510670969 6462234 CC(C)C1=CC(=O)N=C(N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.12 4 3 0 -4.91732884096377 6462220 CCN(CC1=CC(=O)OC2=C1C=CC(=C2)C)C3=CC=CC=C3 1 4.44 1 2 -5.00837709144652 6462201 COC1=CC=CC(=C1)N2CCN(CC2)CC(=O)NC3=NC=CS3 1 1.566 4 2 0 -2.25326486545409 6462182 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)N3CCCCC3 1 1.287 2 5 0 -20.622923739461 6462134 COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=C(O3)Br 1 2.283 2 5 0 -10.9096096869418 6462128 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC)C 1 2.984 2 3 -11.7202948131311 6462126 CC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.314 2 3 -20.5960758533658 6462123 CC1=NN=C(O1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC 1 1.04 3 4 0 -20.775856317797 6462116 CN(CC1=NC(=NO1)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3 1 2.47 3 3 0.173446343664363 6462111 CC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3 1 2.641 2 5 0 -10.8425575063921 6462081 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CN=CC=C3)Cl 1 1.886 3 2 0 -4.97488011633322 6462074 CC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCC3 1 1.245 3 3 0 -13.5796123786763 6462073 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)S(=O)(=O)NCC3=CN=CC=C3 1 2.931 3 3 -14.9911805595337 6462072 C1CN(CCN1C2=C(N=C(O2)C3=CC=CC=C3)C#N)C(=O)C4=CC=CO4 1 2.522 4 3 0 -4.23117196532205 6462071 CC1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 2.233 2 4 -22.6965762090479 6462066 C1CN(CCN1C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.736 3 3 0 -19.7241988077886 6462060 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CN=CC=C3)C 1 1.708 3 2 0 -5.04001797554769 6462021 COC1=CC=CC(=C1)NC(=O)CCCN2C(=O)C3CC=CCC3C2=O 1 1.624 2 4 0 -9.99922780766259 6462017 CCOC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2CC2 1 0.828 2 4 0 -13.5832681480753 6462016 CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCOCC3 1 2.848 2 4 -11.0755371355804 6462013 CC1=C(C=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2)C(=O)N3CCCCC3 1 3.347 2 3 -13.2649598976966 6462003 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)N3CCOCC3)C 1 1.175 2 3 0 -12.4900828584024 6461987 CCN(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)C3=CC=CO3 1 2.154 3 3 -3.8420139166282 6461975 CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)OC 1 2.059 3 4 0 -14.8760012312054 6461963 COC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)NC3CC4CCC3C4 1 2.692 3 4 0 -18.3225338429552 6461962 CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CO3)Br 1 3.13 2 3 -2.05026339298868 6461944 CC1=C(C=C(C=C1)C(=O)NC2=CN=CC=C2)S(=O)(=O)N3CCCC3 1 1.528 3 3 0 -18.0051137247801 6461930 CC1=C(C=C(C=C1)C(=O)NCC2=CC=NC=C2)S(=O)(=O)N3CCOCC3 1 0.761 3 4 0 -23.1306833152489 6461926 C1C(CN(C1=O)CCC2=CC=C(C=C2)F)C(=O)NC3=NC=CS3 1 1.417 3 2 0 -8.74086640732817 6461918 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCOCC3 1 2.391 2 4 -11.0243955941352 6461908 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 1.594 3 4 0 -15.3633263439439 6461901 CC1=C(C=CO1)C(=O)NCC2=NC(=NO2)C3=CC=CC=C3 1 1.454 3 3 0 -2.11200584619412 6461895 CC1=NC2=C(C=C1)C(=CC=C2)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.05 2 3 -8.32071092540773 6461894 CC(C)(C)NCC1=C(C=CC(=C1)Br)OCC=C.Cl Cl- 1 3.647 1 1 -6.74092856491665 6461880 CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)C(=O)C4=CC=CO4 1 2.542 2 5 0 -7.82235695412037 6461879 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCC3 1 1.984 2 5 0 -21.1348430852185 6461876 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C)S(=O)(=O)N3CCOCC3 1 0.492 3 4 0 -17.5155166912268 6461874 CCN(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4 1 2.527 3 4 0 -6.18423644039689 6461872 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C)C(=O)NC3=CC=C(C=C3)F 1 3.01 4 2 1.19666337775556 6461855 CC1=CC=C(C=C1)C2=C3C(=NC=C2)NN(C3=O)C4=CC=CC=C4 1 3.345 3 1 -9.43485134948387e-002 6461852 CC(C)(C)C1=NN=C(S1)NC(=O)CCC2=CC=C(C=C2)OC 1 3.37 3 2 -10.5186608870605 6461849 CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC 1 1.889 2 5 0 -24.2179891296349 6461842 CCOC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)N3CCOCC3 1 0.995 5 4 0 -21.8039691646595 6461839 C1COCCN1C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 0.408 2 3 0 -11.8998928974778 6461835 CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3 1 2.741 3 2 -14.6674541538293 6461833 C1=CC=C2C(=C1)C=CC=C2CNCCO.Cl Cl- 1 1.736 1 1 0 5.32082660268201 6461823 C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=N3 1 2.492 5 1 -6.90622550284908 6461820 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)CC3=CC=C(C=C3)Cl 1 2.616 3 3 -7.17406301344966 6461797 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCCCC3 1 2.308 2 5 0 -16.0549700913674 6461785 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCC3)OC 1 1.396 2 5 0 -21.026789352679 6461776 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3 1 1.923 3 4 0 -18.1756931426381 6461761 CN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3C)C4=CC=NC=C4)N(C1=O)C 1 1.168 7 2 0 -18.6761166654015 6461752 CC1=CC=C(C=C1)NC(=O)CSC2=NNN=C2 1 1.827 4 1 0 -8.67949366732625 6461750 C1=CC=C(C=C1)SCCSC2=NC(=O)C=C(N2)N 1 2.425 3 1 -8.22763460423491 6461723 CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2)NC(=O)C3=CC=CC=C3F 1 2.711 3 4 0 -14.414269227233 6461720 CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 2.831 3 3 -6.26928446010547 6461719 C1CN(CCN1C2=CC=CC=C2)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 2.145 3 2 -8.03572353133578 6461718 CCN(CC)C(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SC 1 3.268 2 2 -17.807208483759 6461716 CCN(CC)C(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CS2 1 2.215 2 3 -13.0861841675429 6461703 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.128 3 3 -7.62237079826237 6461691 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=NC=C3)C 1 2.653 3 3 -14.1642039554052 6461689 C1CN(CCN1C2=CC=CC=C2)C(=O)CCS(=O)(=O)C3=CC=CC=C3 1 2.499 2 3 -10.912037007331 6461687 COC1=CC=C(C=C1)CCC2=NN=C(S2)NS(=O)(=O)C 1 1.614 3 3 0 -9.694294991873 6461664 CC1=CC=C(S1)CNCC(C2=CC=CC=C2)O.Cl Cl- 1 2.326 1 1 3.32183140480285 6461663 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 0.775 3 5 0 -12.0974733980204 6461646 C1COCCN1CCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 1.352 3 4 0 -12.1325211524429 6461641 C1OC2=C(O1)C=C(C=C2)OCC(=O)NC3=NC=C(C=C3)Cl 1 2.271 2 4 -5.32007220744894 6461640 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 2.35 3 2 -6.63000079038849 6461637 CS(=O)(=O)N1CCCC(C1)C(=O)NC2=C(C=CC=C2F)F 1 1.173 2 3 0 -10.4564196475411 6461611 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.942 2 3 -5.26625285225137 6461581 CC1=C(OC2=C1C=CC(=C2)OC)C(=O)N3CCN(CC3)CC4=CC=CC=C4.Cl Cl- 1 3.849 2 3 4.55459498549619 6461557 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)N3CCCCC3)C 1 2.405 2 2 -10.9217864086268 6461555 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)N(C)S(=O)(=O)C)N(C1=O)C 1 1.006 4 4 0 -17.6665256695673 6461552 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3C=CN=C3)OC 1 0.901 4 4 0 -16.9219344581821 6461550 COC1=CC=CC=C1CNCC2=CC=CS2.Cl Cl- 1 2.674 1 1 -0.492163691218473 6461546 C1COCCN1CCCNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 0.198 3 3 0 -15.5205610433795 6461533 C1CN(CCN1C2=CC=CC=C2)C(=O)CNC(=O)CC3=CC=CC=C3 1 1.968 3 2 0 -9.95224505686241 6461519 CC1=NC(=NN1)SCC2=CC=CC=C2C#N 1 2.375 4 0 -7.31976041686272 6461514 CCC1CCCCN1C(=O)COC2=CC3=C(C=C2)OCO3 1 2.665 1 4 -11.6080119375932 6461499 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=CN=CC=C3 1 1.017 3 4 0 -18.4151984379795 6461481 CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CC=N3)OC 1 2.643 3 4 0 -14.8181705679939 6461455 CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O 1 2.261 2 3 -11.963094330081 6461447 CC1=NON=C1NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl 1 2.355 5 2 0 -8.38972632327716 6461436 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCC3)C 1 2.887 2 3 -11.97309750639 6461424 CCOC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC2CCCC2 1 2.019 2 4 -16.1055774269353 6461408 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2O)C3=CC=CO3 1 2.198 4 3 0 -6.89439643808917 6461388 C1=CC=NC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC(=CC=C3)Cl 1 3.156 5 1 -3.92968333728266 6461371 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=NC=C3 1 1.527 3 4 0 -20.0493060244651 6461363 CC1=CC=CC(=C1)C2=NOC(=N2)C(C)NC(=O)C3=CC=CO3 1 2.57 3 3 -6.30800499103708e-002 6461351 C1COC2=C(O1)C=CC(=C2)NC(=O)CNC(=O)C3=CC=CO3 1 0.855 2 5 0 -14.900891321861 6461347 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)S(=O)(=O)N3CCN(CC3)C 1 2.175 3 3 -17.346358679824 6461336 COC1=CC(=C(C=C1Br)OC)S(=O)(=O)NCC2=CC=NC=C2 1 1.889 2 4 0 -4.37670987472182 6461333 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCCC3 1 1.769 3 4 0 -13.9302850983547 6461315 CC1=CC(=C(C=C1C)Br)S(=O)(=O)NCC2=CC=NC=C2 1 2.894 2 2 -1.72015227447535 6461311 C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3O 1 2.25 2 3 -3.36545879035652 6461310 CN1C(=NN=C1SCC(=O)N2CCOCC2)CC(=O)NC3=CC=C(C=C3)Cl 1 1.327 5 3 0 -18.8027811132205 6461305 C1=CC=C(C=C1)/C=C/CNCCC2=CC=C(C=C2)S(=O)(=O)N.Cl Cl- 1 2.445 2 2 -1.72365485572557 6461297 C1=CC=C2C=C(C=CC2=C1)CC(=O)NC3=CC=C(C=C3)CC(=O)O 1 3.222 1 3 -5.96111833434763 6461294 C1CN(CCN1C2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3 1 1.884 3 3 0 -8.87055878087591 6461292 COC1=CC=C(C=C1)CC(=O)OC2=CC=C(C=C2)C#N 1 3.159 1 3 -7.60592498371889 6461251 CN1C2=C(C=C(C=C2)NC(=O)CSC3=CC=CC=C3)N(C1=O)C 1 2.282 3 2 -13.3179491400922 6461242 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3 1 2.29 2 4 -14.9258609991637 6461235 CC1CCN(CC1)CC2=NC(=NO2)C3=CC=CC=C3.Cl Cl- 1 2.655 3 1 2.52284388002757 6461234 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OCC(=O)N3CCOCC3 1 1.287 2 5 0 -20.2330374677869 6461216 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NN=C(S2)SCCOC 1 1.905 3 4 0 -20.0165782008033 6461209 CC(C1=NN=C(N1C)SCC(=O)NC2CCCC2)NC(=O)C3=CC=CC=C3 1 2.414 5 2 0 -23.9475114210739 6461179 CC1CCCC(N1C(=O)C2=CC=C(C=C2)CS(=O)(=O)C3=CC=CC=C3)C 1 4.025 1 3 -17.5407254279516 6461171 CC1CCCN(C1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC 1 1.735 2 3 0 -12.040397971066 6461167 CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)Cl 1 2.692 3 2 -5.58939628572682 6461143 C1CN(CCC1CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC=C(C=C3)Cl 1 3.625 2 2 -5.77896072547681 6461141 CCOC(=O)C1CCN(CC1)CCCSC2=CC=C(C=C2)Cl.Cl Cl- 1 3.913 1 2 0.177817574762819 6461113 C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC=CC=C3F 1 3.442 2 1 1.0063973589245 6461111 CC1=CC2=C(N=CN=C2S1)NC3=CC=C(C=C3)C(=O)O.Cl Cl- 1 2.976 3 2 5.22093469825731 6461092 CCN1CCN(CC1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)OCC 1 2.22 4 2 -5.24807146563051 6461080 CC1=CC2=C(S1)N=C(N(C2=O)C)SCC(=O)NC3CCCC3 1 2.63 3 2 -18.9387235127536 6461078 C1CN(CCN1C(=O)CNC(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3 1 1.244 3 4 0 -10.4220836894005 6461073 COC1=CC=C(C=C1)C2=NOC(=N2)CNC(=O)NC3=CC=C(C=C3)F 1 2.302 4 3 0 0.590142865430839 6461071 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CO4 1 3.053 3 3 -4.27081764138012 6461062 C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)Cl 1 3.497 4 1 -1.45752197842651 6461056 C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=CN=CC=C3)F 1 1.491 6 1 0 -23.5542687161545 6461055 C1CN(CCN1C(=O)C2CC(=O)N(C2)C3=CC=CC=C3)C(=O)C4=CC=CO4 1 0.792 3 4 0 -12.0432046105432 6461051 CC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3 1 2.873 1 4 -7.22388813089244 6461043 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4O3 1 2.311 2 4 -7.94008965086566 6461037 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2CCCC2 1 2.552 1 3 -14.9618651474488 6441916 CC[N+]1=C(OC2=CC=CC=C21)/C=C/NC3=CC=CC=C3.[I-] I- 1 3.875 2 1 9.53065712509567 6461027 CC1=CC2=C(S1)N=CN=C2SCC(=O)NC3CCCCC3 1 3.256 3 1 -10.3263868659812 6461026 CCOC1=CC=CC=C1CNCCOC.Cl Cl- 1 1.569 1 2 0 -2.5656546941382 6461024 CC(=O)NC1=CC=C(C=C1)OCC2=CC=CC3=CC=CC=C32 1 3.425 1 2 -2.42034666771122 6461015 CC1=CC(=C(C(=O)N1CC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl)C#N)C 1 1.832 4 3 0 -8.88559785728972 6461012 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC=CS3 1 1.87 3 3 0 -9.11981640883555 6461005 CC1=CC(=C(C=C1C)S(=O)(=O)NCC2=CC=CS2)C 1 3.523 1 2 -4.85805971384938 6461001 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)N3CCCCC3 1 3.043 3 3 -7.27928968933008 6460950 C1=CC(=CC=C1NC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O)O 1 2.853 2 4 -0.499068746682529 6460930 COCC1=NN=C(S1)NC(=O)CCC2=CC=C(C=C2)OC 1 1.56 3 3 0 -13.5383229146063 6460927 CNCC1=CC=CC=C1OCC2=CC=C(C=C2)F.Cl Cl- 1 3.14 1 1 -0.467514053196912 6460917 CC1=NC2=C(C=C1)C(=CC=C2)NC(=O)C3=C(C=C(C=C3)OC)OC 1 3.05 2 3 -5.57667308920906 6460908 CC12CC3CC(C1)(CC(C3)(C2)C(CN4CCOCC4)O)C.Cl Cl- 1 2.384 1 2 -4.15735663915799 6460875 CCOC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=CO2 1 1.273 2 5 0 -14.9214275115877 6460868 CC(C)C(C(=O)NC1CCCC1)NS(=O)(=O)C2=CC=CC=C2 1 2.53 2 3 -20.0893765435937 6460856 CC1=CC2=C(S1)N=C(N(C2=O)C)SCC(=O)NC3=CC=CC=C3 1 2.805 3 2 -15.8658831788065 6460848 CC1=CC(=NO1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 1.23 3 3 0 -12.9242261992484 6460843 C1CN(CCC1C(=O)N)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 0.195 3 3 0 -10.3956207404194 6460825 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=NC=C3 1 1.843 3 4 0 -16.2018582884994 6460818 CC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.251 3 2 -3.88461992074789 6460812 CC(C)SC1=NC2=CC=CC=C2N3C1=NN=C3 1 3.047 4 0 -0.515061747803963 6460809 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCC3 1 1.761 2 4 0 -17.7827656584317 6441458 C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/C(=O)O)/C)CCC=C2C)C 1 5.669 0 2 -2.29935428155036 6460793 CN1C(=NN=C1SCC(=O)NC2CCCC2)CC(=O)NC3=CC=CC=C3 1 2.171 5 2 0 -19.4604525289654 6460792 C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)NC(=O)C3=CC=CS3 1 2.209 3 2 -15.3927980046991 6460764 CCOC(=O)C1CCN(CC1)CCCSC2=CC=CC=C2.Cl Cl- 1 3.249 1 2 -2.56734634114012 6460757 CC1=CC2=C(S1)N=CN=C2SCC(=O)NCC3CCCO3 1 1.757 3 2 0 -15.2758444544801 6460756 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2)NC(=O)C3=CC=CC=C3F 1 2.362 3 4 0 -13.621018478353 6460750 CCC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4 1 3.583 2 3 -2.77577354624075 6460733 CCOC(=O)C1=CC=C(C=C1)NC(=O)NCCC2=CN=CN2 1 0.947 4 3 0 -8.72846218843686 6460724 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)N3CCOCC3 1 1.168 2 5 0 -16.1517494129399 6460721 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCCC3)OC 1 3.118 2 4 -9.70456443618083 6460708 C1=CC=C(C(=C1)COC2=CC=CC3=C2N=CC=C3)F 1 3.788 1 1 -4.56616808589494 6460704 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)NC3=CC4=C(C=C3)OCCO4 1 2.725 2 4 -2.67770260028557 6460702 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CN=CC=C3 1 0.719 3 3 0 -5.57467124923253 6460689 CC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3CCCO3 1 1.949 2 4 0 -14.9037110255357 6460679 COC1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3)OC 1 2.222 3 4 0 -17.4504146069448 6460668 CC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.798 2 2 -13.3326510812048 6460661 COC1=C(C=C(C=C1)NC(=O)CSC2=NNN=C2)OC 1 1.308 4 3 0 -14.0096124163592 6460643 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCS(=O)(=O)C3=CC=CC=C3 1 2.704 2 3 -9.64582532467531 6460635 CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3CC3 1 1.932 2 3 0 -10.2984800601848 6460634 CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2)NC(=O)C3=CC=CC=C3F 1 2.496 3 4 0 -13.9419328498355 6460630 CCC1=CC2=C(N=C(N=C2S1)C)NCC3=CC=CC=C3.Cl Cl- 1 3.811 3 0 -4.49152131660622 6460622 CCN(CC(=O)NC1CC1)S(=O)(=O)C2=CC=C(C=C2)OC 1 0.828 2 4 0 -18.5086217331506 6460614 CC(C)(C)NCC1=CC=C(C=C1)OCC2=CC=CS2.Cl Cl- 1 3.606 1 1 -5.29854039942397 6460613 CC1=CC=CC=C1C2=NOC(=N2)CNC(=O)C3=CC=CO3 1 2.086 3 3 -4.08343566354889 6460612 CCOC1=CC=CC=C1NC(=O)CSC2=NNN=C2 1 1.674 4 2 0 -13.0044591637615 6460594 CC1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43 1 3.916 1 2 -3.34478709468446 6460572 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC3 1 1.764 2 4 0 -14.2644202225989 6460564 C1=COC(=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Br 1 2.904 2 4 -4.15625452927496 6460553 CCC(C)SC1=NN=C(S1)NS(=O)(=O)CC2=CC=CC=C2 1 3.131 3 2 -13.9972533231586 6460552 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=CC(=C4)Cl)OC3=O 1 2.956 3 3 -4.60510276656784 6460543 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=CC=C3F 1 1.957 2 5 0 -23.8140877888741 6460542 CC1=C(C=C(C=C1)Cl)NC(=O)C2CCCN(C2)S(=O)(=O)C 1 1.912 2 3 0 -8.86405075005941 6460532 C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC(=O)O 1 2.157 2 4 -10.1924813607557 6460530 CN1C=CN=C1SCC(=O)NC2CCCC2 1 1.468 3 1 0 -11.6696665567892 6460526 CCNC(=O)C1CCCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.86 2 3 0 -12.1306473458576 6460522 CC(C)C(C(=O)N1CCCCCC1)NS(=O)(=O)C2=CC=CC=C2 1 2.707 2 3 -19.7916547738251 6460518 CCN1C(=NN=C1SCC(=O)N2CCOCC2)CNC(=O)C3=CC=C(C=C3)Cl 1 1.434 5 3 0 -22.622727222051 6460510 COC1=C(C=C(C=C1)S(=O)(=O)NCCCN2C=CN=C2)Cl 1 1.193 3 3 0 -5.59458510290584 6460497 C1CN(CCN1C2=CC=CC=C2)C(=O)CNC(=O)C3=CC=C(O3)Br 1 1.896 3 3 0 -8.72434674052051 6460494 CN(CC(=O)N1CCOCC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)OC 1 0.548 2 5 0 -11.1091328199365 6460491 C1CC1NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.167 2 5 0 -23.8332828693189 6460430 C1CCCC(CC1)NC(=O)C2=CC=C(C=C2)N3C=NN=C3 1 2.498 4 1 -4.83239824572488 6460483 CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CO 1 1.717 2 3 0 -24.4722037883006 6460474 CC1=C(C=C(C=C1)S(=O)(=O)NC(C)CCC2=CC=CC=C2)C(=O)N 1 2.967 2 3 -12.7799502271244 6439446 CC(=CCC/C(=C/COC1=C(C=C(C=C1OC)/C=C/CO)OC)/C)C 1 4.936 0 4 -3.85819477151028 6438503 CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)C 1 5.058 0 4 1.84962025449399 6438130 C1=CC(=CC=C1CN2C=CN=C2)/C=C/C(=O)O.Cl Cl- 1 1.604 2 2 0 7.81283465630067e-002 6436246 C/C=C(/C)\C(=O)OC(C)(C)[C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3 1 3.955 0 5 -5.92273980153132 6436173 C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)/C 1 4.805 3 11 0 -15.4476682265881 6433339 CC[N+](CC)(CC)CCOC1=CC=C(C=C1)/C=C/C2=CC=CC=C2.[I-] I- 1 3.63 1 1 2.51219453813674 6432394 CCOC(=O)C1(CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl Cl- 1 5.689 2 2 -3.12958914600982 6427274 CC(=O)O[C@@H]1[C@H](C2=CC=CC=C2C3=CC=CC=C13)OC(=O)C 1 2.773 0 4 -4.40636826624315 6426894 CC(=O)O[C@H]1C[C@@H]2CCC3[C@@H](C2(CC1[N+]4(CCCCC4)C)C)CCC5([C@H]3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C 1 2.793 2 4 -13.8572647264346 6426860 C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)C4C(C(C(C(O4)CO)O)O)O)O)O)O 1 -0.224 0 11 0 -3.5646951693334 6426453 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC4=C(C=NC=C4Cl)Cl 1 5.103 4 0 8.54271129866734 6426428 CC1=CC=C(C=C1)CNC2=NC(=S)NC3=CC(=C(C=C32)OC)OC 1 4.233 3 2 -5.97299612119549 6426151 C1=CC=C(C(=C1)NC(=O)C2=C(NC=N2)C(=O)NCCO)[N+](=O)[O-] 1 -0.216 5 5 0 -13.6036835922029 6425630 CC1=NN(C(=O)C1(C)[N+](=O)[O-])C2=CC=CC=C2 1 1.432 3 3 0 -2.44511071742468 6425107 CC(C)(C)NC1=C2C=CC=CC2=NC3=CC=CC=C31 1 4.093 2 0 1.60744504957812 6424847 COC1=CC=C/C(=C\NCCCN/C=C\2/C(=O)C(=CC=C2)OC)/C1=O 1 -0.254 2 4 0 -5.84167126552704 6420242 CC1CCCN(C1)C2(C3=C(C=CC(=C3)Br)NC2=O)O 1 2.547 2 2 -4.9480616159819 6420084 C/C=C\1/C[N+]2(CCC34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C=O)C.[Cl-] Cl- 1 0.897 2 1 0 -4.57512340837843 6420082 C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.Cl Cl- 1 -0.443 2 8 0 -1.9835930841134 6420080 C[C@]12CC[C@H](C[C@H]1CC[C@@H]3C2CC[C@]4([C@H]3CCC4=O)C)O 1 3.588 0 2 -11.4986259814969 6420073 C[C@@]1(C2CC3[C@@H](C(=O)/C(=C(\NCN4CCCC4)/O)/C(=O)[C@]3(C(=O)C2=C(C5=C1C=CC=C5O)O)O)N(C)C)O 1 0.427 3 8 0 -2.39518223835237 6420066 CC(C)(C)NC[C@H](COC1=CC=CC2=C1CCCC2=O)O.Cl Cl- 1 2.358 1 3 -10.1829408509445 6420040 CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N.Cl Cl- 1 3.087 2 3 -6.28948825988925 6420035 CC1C2=CC(=C(C=C2CCN1)OC)OC.Cl Cl- 1 1.787 1 2 0 -10.0648827291565 6420031 CC[C@H]1CN2CCC1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)O.O.Br Br- H2O 1 3.124 2 2 5.6966271501183 6420019 CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 3.473 2 0 -2.80094752334067 6420006 C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5CC6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O CS(=O)(=O)O 1 3.2 5 5 0 -3.91583679033882 6420002 C1CCC2=NC3=CC=CC=C3C(=C2C1)N.O.Cl Cl- H2O 1 2.79 2 0 3.69052504086345 6419979 C[C@H]1C2=CC(=C(C=C2CCN1)O)O.Br Br- 1 1.335 1 2 0 -3.42246951333925 6419978 C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)[O-].Br Br- 1 1.6e-002 1 5 0 -10.4307146780095 6419976 C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O.O H2O 1 -1.952 5 7 0 -12.6440204006868 6419975 COC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)C(=O)NCC3=CN=CC=C3.O H2O 1 1.095 4 3 0 -13.5925816196117 6419962 C1C[C@@H]([C@@H]([C@@H]2[C@@H]1CN3CCC4=C([C@@H]3C2)NC5=CC=CC=C45)C(=O)O)O.O H2O 1 -0.438 2 3 0 -5.45931513442113 6419954 CC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)N.O.[Na+] H2O Na+ 1 -0.118 2 3 0 -2.91370426272351 6419942 CN1CCC2=CC3=C(C(=C2C1)OC)OCO3.Br Br- 1 1.729 1 3 0 -0.582061534215734 6419941 CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)O.Br Br- 1 1.697 1 3 0 -8.66527292579247 6419900 CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.O.[Cl-] Cl- H2O 1 3.864 1 4 -0.800165471381116 6419884 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H](C2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl.Cl Cl- 1 1.277 2 5 0 -7.81890874812855 6419883 COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O.O H2O 1 -0.849 0 9 0 -9.43484307569941 6419301 CC(=NO)C(=O)C1=CC(=C(C=C1)OC)OC 1 1.48 1 4 0 -4.63768714092294 6419300 CC1CCC(C(C1)OC(=O)C(=NO)C)C(C)C 1 3.101 1 3 1.08350533922545 6419299 C1CCCN(CC1)CCCNC(=O)C=NO 1 0.813 3 2 0 -6.05939151945947 6419298 C1=CC(=C(C=C1Br)Br)C(=O)C(=NO)N2C=NC=N2 1 2.694 4 2 0.325413363885038 6419297 C1=CC=C(C=C1)C(=NO)C(=O)C2=CC=CC=C2 1 3.187 1 2 -3.42295946863019 6419296 CN(C)CCCCCNCCCNC(=O)C=NO 1 0.141 4 2 0 -5.78541509556972 6419295 C1=CC=C(C=C1)CNCCCNC(=O)C=NO 1 0.487 3 2 0 -6.09097879735625 6419294 CC(=NO)C(=O)C(CN1CCCCC1)CN2CCCCC2 1 1.978 3 2 0 -1.21153843138933 6419238 C1(=NNN=C1Cl)C2=[15N]NN=N2 1 0.395 7 0 0 -0.314535124841402 6418891 C1=CC=C(C=C1)C2=NC(=C(N=N2)C(F)(F)F)SC3=CC=CC(=C3)C(F)(F)F 1 6.174 3 0 6.37745439982649 6418831 CC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(C4(CCC3C4(C)C)C)N=N2 1 4.266 4 1 -13.551860160439 6418774 C1C(=O)N(C(=S)S1)N/C=C/2\C=CC(=O)C(=C2O)O 1 4.3e-002 2 4 0 -6.81958949888038 6418733 CC1=C(N=C(N=N1)SCC=C)/C=C/NC2=CC=C(C=C2)Cl 1 3.966 4 0 -4.18583018421576 6418723 C1=CC(=C(C=C1Cl)Cl)CC2=NN=C(C=C2)Cl 1 4.396 2 0 0.154877161347243 6418684 CC1=CC(=CC=C1)N/N=C\2/C=NC(=N)S2 1 3.228 4 0 0.374607631021521 6418640 CCOC(=O)C1=C(N=C(N=N1)C2=CC=C(C=C2)C)SC3=CC(=CC=C3)Cl 1 5.644 3 2 -0.263045827670213 6418635 C1=CC=C(C=C1)C2=NC(=C(N=N2)C(F)(F)F)SC3=CC=C(C=C3)Cl 1 5.896 3 0 7.55747966278518 6418587 CC(C)C1=NC(=C(N=N1)C2=CC=C(C=C2)Cl)N(C)C 1 3.981 4 0 1.31098493447715 6418547 CCOC(=O)C1=C(N=C(N=N1)C2=CC=C(C=C2)C)SC3=CC=C(C=C3)Cl 1 5.644 3 2 0.906760707444658 6418533 CC1=C(N=C(N=N1)SCC2=CC=CC=C2)/C=C/NOCC3=C(C=C(C=C3)Cl)Cl 1 5.1 4 1 -2.50603504715388 6418532 CC1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-] 1 4.749 5 3 0 -7.37232823060002 6418527 CC1CN(CC(O1)C)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C 1 4.077 3 1 -4.38412166203437 6418375 CCC(C)NC(=O)CSC1=NC(=C(N=N1)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC 1 4.784 4 5 0 -19.7843343279855 6418271 CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=C(C4=CC=CC=C4N3C(C)C)N=N2 1 5.119 6 3 0 -19.9883636563385 6418022 CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.575 7 2 0 -25.1594501758102 6416738 CC(C(=O)N1CCC2=CC=CC=C21)SC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5 1 5.941 4 1 -10.5770847707081 6416736 C1CC(OC1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.899 3 1 -7.09631931086806 6416728 C1CC(OC1)CNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4 1 3.566 3 2 -18.3238952204275 6416719 CC(COC)NC(=O)COC1=NN=CC2=CC=CC=C21 1 0.949 3 3 0 -10.2137557548776 6416598 C1CN(CCN1C2=CC=CC=C2)C3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5 1 4.778 4 0 2.31086065043241 6416510 COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5 1 5.934 3 3 -4.56247801835939 6416474 C1CCOC(C1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.355 3 1 -6.79264047782815 6416438 CC1=NN=C(C2=CC=CC=C12)NCCC3=CC=CC=C3 1 3.183 3 0 -5.17370843002657 6416437 CC1=NN=C(C2=CC=CC=C12)NCC3=CC(=CC=C3)Cl 1 3.526 3 0 -3.46552147632812 6416317 C1=CC=C(C(=C1)CSC2=NC3=C(C4=CC=CC=C4NC5(O3)C6=C(C=CC(=C6)F)NC5=O)N=N2)F 1 5.519 5 2 0 -14.2259216992625 6416305 CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NCC3CCCO3)C4=CC=C(C=C4)C 1 4.931 4 2 -16.1910770362123 6415951 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N/N=C\3/C(=NC(=N)S3)C4=CC=CC=C4 1 3.282 5 4 0 -17.4215373215798 6415914 COCCCNC1=NN=C(C2=CC=CC=C21)CC3=CC=CC=C3 1 2.908 3 1 -8.52465921257684 6415899 CC1CN(CC(O1)C)C2=C(N=NC(=N2)C3=CC=C(C=C3)C)C 1 3.116 4 1 0.26792910673181 6415616 COC1=C(C=C2C=NN=CC2=C1)OC 1 1.087 2 2 0 -1.06196474152488 6415561 CC1=CC(=CC=C1)NC2=NN=C(C=C2)NCC3=CC=CC=C3 1 3.609 4 0 2.0945717377538 6415306 COC1=CC=C/C(=C\NN2C(=NNC2=S)C3=NNC4=C3CCC4)/C1=O 1 1.558 6 2 0 -6.19966615968884 6415168 CC1CN(CC(O1)C)C2=C(N=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.294 4 1 0.932717929113601 6415138 CN(C1=C(N=NC(=N1)C2=CC=CC=C2)C(F)(F)F)NC(=O)C3=CC=C(C=C3)OC 1 4.11 5 2 0 -1.40416291281049 6415133 C1CS(=O)(=O)CC1NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.108 4 3 0 -17.8104705315168 6415102 C1=CC=C(C=C1)C2=NC(=C(N=N2)C(F)(F)F)OC3=CC=CC(=C3)C(F)(F)F 1 5.616 3 1 10.0292686329198 6415062 CCOC(=O)N1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4 1 3.357 4 2 -2.91773803152913 6415056 CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3CCS(=O)(=O)C3)C4=CC=C(C=C4)C 1 4.08 4 3 0 -17.3359541152016 6415055 C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC5(O3)C6=C(C=CC(=C6)F)NC5=O)N=N2 1 5.314 5 2 0 -12.6504965714171 6414946 CCC1=C(N=NC(=N1)SCC(=O)NCCC2=CCCCC2)CC 1 3.933 4 1 -21.9920166151822 6414945 CCC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)CC)CC 1 4.124 4 1 -15.0863072788454 6414925 CCOC(=O)CC1=NN=C(S1)NC(=O)CSC2=NC=C(N=N2)C3=CC=CC=C3 1 2.349 6 3 0 -16.137672848883 6414923 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 6.378 5 1 -0.934367981749602 6414698 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3 1 2.192 6 5 0 -34.2597198081579 6414679 C1=CC=C(C=C1)C2=C(C(=CN=N2)[N+](=O)[O-])N 1 1.306 4 2 0 3.25363669538815 6414589 C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC(=O)NC4=NN=CS4 1 1.877 7 1 0 -20.0434360327202 6414489 C1=CC=C2C(=C1)C=CC=C2CN3C4=NC(=NC(=O)C4=NN3)C(=O)NC5=CC=C(C=C5)F 1 2.717 6 2 0 -2.19234652525299 6414487 CCCN1C2=C(C=C(C=C2)F)C3=C1N=C(N=N3)NN 1 2.148 6 0 -1.17850490235518 6414486 CCN1C2=C(C=C(C=C2)F)C3=C1N=C(N=N3)NN 1 1.624 6 0 0 0.311933684776448 6414465 CCCCN1C2=C(C=C(C=C2)F)C3=C1N=C(N=N3)NN 1 2.604 6 0 -4.11685873312473 6414449 CC1CN(CC(N1)C)C2=C(N=NC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4 1 4.776 5 0 7.09029916665871 6414439 C1=CC=C(C=C1)CNC2=NN=C(C=C2)NC3=CC=C(C=C3)Cl 1 3.787 4 0 1.73357785000368 6414404 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)N/N=C\2/C(=NC(=N)S2)C 1 2.634 5 2 0 -14.2968587683088 6414356 CC1CN(CC(O1)C)C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4 1 3.591 3 1 -5.02705107536197 6414329 CC(C)N1C2=CC=CC=C2/C(=N/NC3=NN=C(C=C3)Cl)/C1=O 1 2.619 5 1 -4.66836767790269 6414251 CC1=C(C(=CC=C1)N/N=C/2\C(=NN(C2=N)C3=CC=CC=C3)C)C 1 3.851 5 0 -0.907916295570984 6414170 CCN(CC)CCSC1=NC2=C(C3=CC=CC=C3N2CCC4=CC=CC=C4)N=N1 1 5.714 5 0 -11.2588928629547 6414072 COC1=C(C2=C(N=NC=C2C=C1)SCC(=O)NC3=CC=CC=C3)OC 1 2.804 3 3 -9.58401004473355 6414047 CC(C)NC(=O)COC1=NN=CC2=CC=CC=C21 1 1.429 3 2 0 -10.2740424618463 6414025 CCC1=CC=C(C=C1)NC(=O)C(C)OC2=NC(=C(N=N2)C3=CC=CS3)C4=CC=CS4 1 5.952 4 2 -10.1671101329375 6413788 CCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SCCN4CCCCC4 1 4.864 5 0 -3.41296488848751 6413621 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F 1 3.475 3 3 -19.3854938383076 6413486 CN(C1=C(N=NC(=N1)C2=CC=CC=C2)C(F)(F)F)N 1 2.595 5 0 3.53667701962742 6413481 C1=CC=C(C=C1)C2=NC(=C(N=N2)C(F)(F)F)OC3=C(C=C(C=C3)Cl)Cl 1 6.002 3 1 8.10750525215252 6413477 CC1=CC=C(C=C1)C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.583 3 0 6.43133428794008 6413469 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=NN=C(C=C3)Cl 1 3.355 5 2 0 1.51742341450517 6413445 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)OC)S(=O)(=O)NC(C)C 1 3.713 3 3 -13.5577979388031 6413405 CCCSC1=NC(=C(N=N1)C)/C=C/NC2=CC=C(C=C2)F 1 3.763 4 0 -5.30082572455045 6413397 C1COCCN1C2=C(C=C(C=C2)C3=NN=C(C4=CC=CC=C43)NC5=CC=CC=C5)[N+](=O)[O-] 1 4.263 5 3 0 -7.69739536598577 6413389 C1=CC=C(C=C1)C2=NN=C(C=C2Cl)SC3=CC=C(C=C3)Br 1 6.229 2 0 6.37777945298213 6413378 C1=CC=C(C(=C1)C(C#N)C2=NN=C(C=C2)Cl)Cl 1 3.586 3 0 -2.32344000439591 6413336 C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C4=NN=C(C=C4)Cl)[N+](=O)[O-] 1 2.989 6 2 0 -1.21327503289737 6413332 COC1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)N5CCCCC5 1 4.834 4 2 -13.0052440624786 6413326 CC1=C(N=C(N=N1)C2=CC=C(C=C2)Cl)OC 1 2.673 3 1 4.89280841926184 6413325 CCCCC(=O)NN(C)C1=C(N=NC(=N1)C2=CC=CC=C2)C(F)(F)F 1 4.041 5 1 -4.32965584798894 6413324 CC(C)(C)C(=O)NN(C)C1=C(N=NC(=N1)C2=CC=CC=C2)C(F)(F)F 1 4.008 5 1 -5.63248621795037 6413293 C1CCN(C1)C2=C(N=NC(=N2)C3=CC=CC=C3)C(F)(F)F 1 3.736 4 0 5.87506059832807 6413289 C1CC2=CC(=NN=C2C3=CC=CC=C31)SCC4=CC(=C(C=C4)Cl)Cl 1 6.752 2 0 1.04766530841851 6413250 CC1=CC=C(C=C1)OC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4 1 5.652 2 1 2.28801757415104 6413243 C1=CC(=C(C=C1Cl)Cl)CC2=NN=C(C=C2)NN 1 2.7 4 0 3.01330063466277 6413225 CC1=C(N=C(N=N1)C2=CC(=CC=C2)C(F)(F)F)N3CCOCC3 1 2.817 4 1 7.9872414693731 6413218 CC1=C(C(=CC=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4)C 1 4.939 4 3 0 -6.56487767897728 6413217 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=NC5=CC=CC=C5N4)S(=O)(=O)N6CCOCC6 1 3.525 6 3 0 -19.7793618059772 6413200 C1=CC(=C(C(=C1)Cl)C(C#N)C2=NN=C(C=C2)Cl)F 1 3.792 3 0 -1.78680020333531 6413198 CC(C)CC(=O)NN(C)C1=C(N=NC(=N1)C2=CC=CC=C2)C(F)(F)F 1 3.837 5 1 -4.02668655599878 6413187 CC1=CC=C(C=C1)C(=O)NN(C)C2=C(N=NC(=N2)C3=CC=CC=C3)C(F)(F)F 1 4.612 5 1 -0.991196703666353 6413186 CN(C1=C(N=NC(=N1)C2=CC=CC=C2)C(F)(F)F)NC(=O)C3=CC=C(C=C3)Cl 1 4.791 5 1 0.830801986920465 6413172 C1=CC(=CC=C1C(C#N)C2=NN=C(C=C2)Cl)Cl 1 3.586 3 0 1.18794806885325 6413148 CN(C)CCNC1=C(N=NC(=N1)C2=CC=CC=C2)C(F)(F)F 1 3.061 5 0 4.06918185145221 6413147 CCN(CC)CCNC1=C(N=NC(=N1)C2=CC=CC=C2)C(F)(F)F 1 3.758 5 0 1.57998963765728 6413140 CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5 1 4.351 4 2 -3.77437887968866 6413127 CCOC(=O)C1=C(N=C(N=N1)C2=CC=C(C=C2)C)OC3=CC=CC=C3Cl 1 5.086 3 3 -0.460653834687747 6413099 CCCC(=O)N1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C 1 3.974 4 1 -8.17010499974054 6413078 CCOC(=O)C1=C(N=C(N=N1)C2=CC=C(C=C2)C)SC3=CC=CC=C3Cl 1 5.644 3 2 -3.20109841638783 6413050 CC1=CC=C(C=C1)SC2=C(N=NC(=N2)C3=CC=CC=C3)C(F)(F)F 1 5.718 3 0 5.73548097219837 6413030 COC1=CC=C(C=C1)N2C(=O)C=C3C(=N2)C(=NN3)N 1 -9.3e-002 5 2 0 -5.85969188843066 6413024 C=CCNC1=C(N=NC(=N1)C2=CC=CC=N2)C3=CC=CC=C3 1 3.393 5 0 1.45131570337718 6413016 CC1=C(N=C(N=N1)SC)/C=C/NOCC2=CC(=CC=C2)F 1 2.394 4 1 2.79726470190646 6413011 CC1=CC=C(C=C1)SC2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4 1 6.245 2 0 0.283146041430943 6413005 C1=CC=C(C=C1)SC2=NN=C(C=C2)C(C3=C(C=C(C=C3)Cl)Cl)C(=O)N 1 5.158 3 1 1.23972452333549 6412980 CC1=CC(=NN1)C2=NNC(=S)N2N/C=C/3\C=CC(=O)C(=C3)OC 1 0.776 6 2 0 -5.95344358585935 6412918 COC1=CC(=CNN2C(=NNC2=S)C3=NNC4=C3CCC4)C=C(C1=O)OC 1 1.246 6 3 0 -2.86904322300883 6412895 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=CC3=CC=CC=C32 1 3.218 4 3 0 -11.0661833903875 6412821 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.313 4 3 0 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C1=CC(=CC=C1NCCNC2=NN=C(C=C2)Cl)[N+](=O)[O-] 1 2.312 5 2 0 -5.40723744978941 6412170 C1CC2=CC(=NN=C2C3=CC=CC=C31)SCC4=C(C=CC=C4Cl)Cl 1 6.752 2 0 -0.723113603524773 6412115 COC1=CC=C(C=C1)SC2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4 1 5.743 2 1 -0.129820167713197 6412058 CC(C)NS(=O)(=O)C1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC(=O)NC4=CC(=C(C(=C4)OC)OC)OC 1 2.992 6 6 0 -32.3056473943608 6412039 CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC4=C(C5=CC=CC=C5N4CC=C)N=N3 1 6.283 6 1 0 -30.5967902373521 6412021 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3 1 2.208 6 4 0 -32.2273469746468 6411941 CC1=CC(=NC2=NC(=CN12)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5)C 1 5.259 6 0 -3.89323078825034 6411790 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F 1 3.127 3 3 -19.1224792575342 6411721 CC1=CC(=CC=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-] 1 4.749 5 3 0 -5.32917355648471 6411703 CC1=C(N=C(N=N1)C2=CC=C(C=C2)Cl)NCCN(C)C 1 2.637 5 0 4.45582746111654 6411702 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C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC4=CC(=CC=C4)F 1 4.556 4 0 -10.9528756141634 6409321 CC1=NC(=C(C=C1Cl)Cl)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 6.176 5 1 -6.02433825337225 6409315 C1=CC=C(C=C1)C2=NNSC2=C3N=CC=N3 1 1.778 4 0 0 -1.11173312695653 6409306 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)OC 1 5.079 3 3 -17.5604996134551 6409291 CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)N3CCOCC3)C4=CC=C(C=C4)C 1 4.466 4 2 -10.6419115460569 6409278 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)C4=C(N(C(=O)N(C4=O)C)C)N 1 1.879 7 3 0 -16.8498356474228 6409200 C1=CC=C(C(=C1)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2)C(=O)O 1 3.98 4 2 -16.1704765449792 6409108 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC 1 3.428 3 0 -4.82519403983711 6409093 C1=CC=C(C=C1)C2=NNC(=O)C3=CN(N=C32)C4=CC=C(C=C4)Br 1 3.901 4 1 2.33710714730424 6409092 COC1=CC=C(C=C1)N2C=C3C(=N2)C(=NNC3=O)C4=CC=CC=C4 1 3.136 4 2 1.55880199267471 6409085 CC(C)C1=CC=C(C=C1)NC(=O)COC2=NC(=C(N=N2)C3=CC=CS3)C4=CC=CS4 1 5.719 4 2 -6.47413332830516 6409084 CC(C)C1=CC=C(C=C1)NC(=O)COC2=NN=CC3=CC=CC=C32 1 3.473 3 2 -2.84380432511728 6409081 CC1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C 1 4.803 3 0 -1.3112145500758 6409025 C1=CC2=NC(=C3C(=NNS3)C4=CC=CS4)N=C2C=C1 1 2.804 4 0 -4.82995003785302 6409016 CN(C)C(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F 1 3.619 3 1 -8.29345034869628 6409012 CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)N(C)C)C3=CC=C(C=C3)C 1 4.778 4 1 -7.515438603274 6408988 C1=CC=C(C=C1)C2=NNC(=O)C3=CN(N=C32)C4=CC=CC=C4 1 3.153 4 1 1.01224422918298 6408977 CCOC(=O)CCCNC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.225 4 3 0 -22.4638826199378 6408969 C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=C(C=C(C=N3)Cl)Cl)C4=CC=CC=C4 1 5.894 5 1 -4.22315354189889 6408961 CN(C1CCCCC1)C(=O)CSC2=NN=CC3=CC=CC=C32 1 3.325 3 1 -9.50765023522772 6408948 CCNC(=S)NNC1=NN=CC2=CC=CC=C21 1 1.726 5 0 0 -3.35907024080789 6408927 CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)N)C3=CC=C(C=C3)C 1 4.366 4 1 -6.1856807637885 6408884 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3 1 3.172 5 3 0 -19.5876273210537 6408872 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3 1 3.253 6 2 0 -17.7194349071069 6408843 COC1=CC=C(C=C1)C(=O)SC2=NN=CC3=CC=CC=C32 1 3.633 2 2 1.1157002401694 6408839 CN1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F 1 3.311 4 0 3.78846606541204 6408837 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC 1 5.247 4 1 1.14574760031989 6408790 CC1=CC=C(C=C1)OC2=NN=C(C=C2)OC3=CC=C(C=C3)C 1 5.383 2 2 0.660923033942195 6408753 CCOC(=O)CC1=NN=C(S1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 2.523 7 3 0 -27.2307995880276 6408752 C1=CC=C(C=C1)C2=NNN=C2C(=O)C3=CC=CO3 1 2.799 3 2 0.860250980783593 6408686 CC1=NN=C(C2=CC=CC=C12)NCCO 1 0.739 3 1 0 -4.1575336507577 6407889 CC1(C(=O)/C(=N\O)/C2=C(O1)C=CC3=C2OC(=O)C=C3)C 1 2.048 1 5 -2.34751639595522 6407882 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3 1 3.239 7 4 0 -22.6652394532842 6407879 C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5 1 2.634 8 3 0 -23.7150361303498 6407663 C1=CC=C2C(=C1)C(=O)N=C3N2NN=C3C4=CC(=CC=C4)Br 1 2.897 4 1 1.37696356398821 6407682 C1=CC=C(C=C1)C2=NNSC2=C3N=C4C=CC=CC4=N3 1 2.851 4 0 -2.33126248628907 6407676 CCOC1=CC=CC=C1NC(=O)CSC2=NN=CC3=CC=CC=C32 1 3.17 3 2 -11.8394186768068 6407673 COC1=CC=C(C=C1)NC(=O)CSC2=NN=CC3=CC=CC=C32 1 2.821 3 2 -7.75900639250326 6407630 C1=CC(=C(C=C1C(=O)O)N/N=C\2/C=NC(=N)S2)Cl 1 3.035 4 2 -4.08190386555504 6407628 C1=CC=C(C=C1)C\2=NC(=N)S/C2=N\NC3=CN=CC=C3 1 3.343 5 0 -2.35338341630902 6407597 C1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)Cl 1 2.112 3 2 -5.54842994178597 6407590 C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F 1 4.99 3 1 -8.836169259051 6407570 CC1=CC(=C(C(=C1)C)NC(=O)COC2=NN=CC3=CC=CC=C32)C 1 3.738 3 2 -4.35237956494256 6407567 CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC2=NN=CC3=CC=CC=C32 1 4.667 3 2 -3.9726707922742 6407535 CC1=NN=C(C2=CC=CC=C12)OCC(=O)NCCC3=CCCCC3 1 3.313 3 2 -13.7898091604419 6407532 CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NCCOC)C3=CC=C(C=C3)C 1 4.441 4 2 -14.82426549579 6407449 CCCCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SCCN4CCCCC4 1 5.844 5 0 -7.84175730638869 6407447 CCN(CC)CCSC1=NC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)C)N=N1 1 5.879 5 0 -8.47978894910197 6407401 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)C 1 4.837 4 2 -4.95221697119262 6407399 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)COC5=CC=CC(=C5)C 1 4.837 4 2 -3.59606807003222 6407394 C1[C@@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)C(=O)C4=CC=C(C=C4)C5=NN=C(C6=CC=CC=C65)NC7=CC=CC=C7 1 3.811 5 2 0 -12.9282637648697 6407393 COC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)N4CCCCC4)NC(=O)C5CCCCC5 1 5.916 4 2 -0.876397241463579 6407386 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)OC 1 4.334 4 3 0 -4.68414080931877 6407382 CC1=CC(=CC=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)N5C[C@H]6C[C@H](C5)C7=CC=CC(=O)N7C6 1 4.298 5 2 0 -10.420204051147 6407380 CCCCSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)C 1 5.963 2 0 -2.99501890459931 6407378 COC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)N4CCCCC4)NC(=O)COC5=CC=CC=C5 1 5.289 4 3 0 -7.31232738274923 6407377 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)C5=CC=CS5 1 4.469 4 1 -8.14825431438274 6407376 CCN(CC)CCN1C2=CC=CC=C2/C(=N/O)/C1=O 1 1.78 3 2 0 -1.65820567014162 6407366 COC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)COC5=CC=CC=C5 1 4.059 4 4 0 -8.901413505462 6407360 CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(C=C3)OC 1 4.651 5 4 0 -12.0044323041903 6407344 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)COC5=CC=CC=C5 1 4.351 4 2 -4.78254503795628 6407317 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)N5CCCCC5 1 5.32 4 2 -12.362314649151 6407296 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N(C)C)S(=O)(=O)NC(C)(C)CO 1 3.373 5 4 0 -18.3305049926374 6407290 C1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5 1 3.732 4 2 -14.899787513966 6407273 C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=NC=C(C=C3)Br)C4=CC=CC=C4 1 5.313 5 1 -10.7204217680979 6407214 CCN1C2=C(C=C(C=C2C3=C1N=C(N=N3)SCCN4CCOCC4)C)C 1 4.121 5 1 -8.28457115769099 6407175 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=NC5=CC=CC=C5N4)S(=O)(=O)N(C)C 1 3.838 6 2 0 -12.9773801446131 6407173 CC(=O)OCCCN1C2=CC=CC=C2NC3=NN=C(C=C31)C4=CC=CC=C4 1 3.439 4 2 -2.9903981935946 6407158 COC(=O)CC1=NN=C(C2=CC=CC=C21)SCC(=O)NC3=CC=CC=C3 1 3.156 3 3 -14.2908285956907 6407153 COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5 1 3.987 5 3 0 -9.55371919692427 6407144 CCCCOC1=NN=C(C=C1)N2C(=CC(=N2)C)C 1 3.257 4 1 -6.26878959420138 6407143 CCOC(=O)CC1=NN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)C(=O)NC 1 2.448 4 3 0 -15.7820012595725 6407070 COC1=C(C2=C(N=NC=C2C=C1)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)OC 1 2.66 3 5 0 -12.3437598228228 6406993 CCOC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)N5CCCCC5 1 5.166 4 3 0 -13.4704610613681 6406979 CCN(CC)C(=O)COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)NC 1 3.657 5 4 0 -20.2167667668833 6406851 CCC1=NN=C(S1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 2.805 7 1 0 -24.1674138609996 6406850 CCSC1=NN=C(O1)C2=C(C3=C(C(=NN=C3S2)C4=CC=CC=C4)C5=CC=CC=C5)N 1 5.014 5 1 -4.85389729274806 6406809 COC1=C(C=C(C=C1)C2=C(N=NC(=N2)SC)C3=CC(=C(C=C3)OC)[N+](=O)[O-])[N+](=O)[O-] 1 4.296 5 6 0 -3.67685766204942 6406244 CC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(C=C3)Cl 1 2.025 6 3 0 -21.4948131128616 6405730 C1CSCCN1C2=C(N=NC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Br 1 5.697 4 0 8.33593758199513 6405717 C1=CC(=CC=C1C2=NC(=C(N=N2)C3=CC=C(C=C3)Br)NCCCO)Cl 1 4.434 4 1 9.17174877498706 6405448 C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCCCO 1 2.465 3 1 -2.70864853973678 6405450 COC1=CC=CC=C1N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F 1 4.967 4 1 1.85762462578515 6405334 C1=CC=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)Cl 1 5.19 3 0 -3.03781183352898 6405329 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCCCO 1 2.951 3 1 -2.06571912640918 6405280 CCN1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F 1 3.66 4 0 2.18181016196117 6405278 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4C(=C(C=N4)C#N)N)C 1 4.062 6 0 -2.66375857718033 6405276 C1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)C5=CC=CO5 1 3.425 4 2 -3.37523654511405 6405267 COC1=CC=CC(=C1)NC(=O)C2=CC(=NN=C2Cl)Cl 1 2.727 3 2 -3.53015958171697 6405258 COC1=CC(=C(C=C1)OC)NC2=NN=C(C=C2)NC3=C(C=CC(=C3)OC)OC 1 3.05 4 4 0 -1.25891059455665 6405171 CC1=CC=C(C=C1)S(=O)(=O)NC2=NNN=C2C(=O)NC3CCCCC3 1 2.632 5 3 0 -9.93801411605109 6405118 C1=CC=C(C=C1)C2=CN=C(N=N2)C3=CC=CC=N3 1 2.428 4 0 6.9508072752458 6404754 C1=CC=C(C=C1)C2=NN=C(C=C2Cl)SC3=CC=C(C=C3)F 1 5.686 2 0 6.724317532962 6404752 C1=CC=C(C=C1)C2=NN=C(C=C2Cl)SC3=CC=C(C=C3)Cl 1 6.145 2 0 7.0183101965651 6404717 CC1=C(N=C(N=N1)SCC2=CC=C(C=C2)Cl)/C=C/N(C)C 1 3.614 4 0 -4.35722615877115 6404702 C1COCCN1C2=C(N=NC(=N2)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=C4 1 4.482 4 1 9.13388734925975 6404701 C1=CSC(=C1)C2=NN=C(C=C2)Cl 1 2.985 2 0 -1.33868016935885 6404677 CCOC(=O)C1=C(N=C(N=N1)C2=CC=CS2)NC(C)C 1 2.864 4 2 -9.10948493100478 6404676 CC1=CC=C(C=C1)C2=NC(=C(N=N2)C)N3CCOCC3 1 2.361 4 1 3.16014828998654 6404673 CC1=CC=C(C=C1)C2=NC(=C(N=N2)C3=CC=CC=C3)N4CCOCC4 1 4.026 4 1 5.48985962944425 6404653 CC1=CC=CC=C1CC2=NN=C(C=C2)Cl 1 3.553 2 0 -1.75655911603133 6404650 C1=CC(=CC=C1C2=CN=NC(=C2C#N)N)Br 1 2.15 4 0 0.142081800358387 6404648 C1CN(CCN1C2=NN=C(C=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F 1 3.029 4 2 -9.89541110519541 6404647 C1CCC(CC1)NC2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=CC=C4 1 4.634 5 0 3.36385656290816 6404645 CN(C)C1=C(N=NC(=N1)C2=CC=CC=N2)C3=CC=CC=C3 1 3.13 5 0 3.71246042169955 6404643 CNC1=C(N=NC(=N1)C2=CC=CC=N2)C3=CC=CC=C3 1 2.776 5 0 4.25707971179986 6404641 CCOC(=O)C1=C(N=C(N=N1)C2=CC=CS2)OC3=CC=C(C=C3)Cl 1 4.553 3 3 -1.11871514799933 6404631 CCOC(=O)C1=C(N=C(N=N1)C2=CC=C(C=C2)C)N3CCSCC3 1 3.456 4 2 -1.78258112921064 6404630 CCOC(=O)C1=C(N=C(N=N1)C2=CC=CC=C2)NCC3=CC=C(C=C3)Cl 1 4.432 4 2 -1.32395554752253 6404629 CCOC(=O)C1=C(N=C(N=N1)C2=CC=CC=C2)NCC3=CC=CC=C3 1 3.767 4 2 -4.25380060493719 6404626 CCOC(=O)C1=C(N=C(N=N1)C2=CC=CC=C2)NC 1 2.184 4 2 -4.18076126596185 6404625 CCOC(=O)C1=C(N=C(N=N1)C2=CC=CC=C2)N3CCSCC3 1 2.97 4 2 -2.25709754552584 6404621 CC1=CC=C(C=C1)C2=NC(=C(N=N2)C)N3CCCC3 1 3.135 4 0 5.10370292686739 6404619 CC1=C(N=C(N=N1)C2=CC=CC=C2)N3CCOCC3 1 1.875 4 1 0 2.87392846800514 6404618 CC1=C(N=C(N=N1)C2=CC=CC=C2)N(C)C 1 2.187 4 0 0.489985318355864 6404615 CC(C)NC1=C(N=NC(=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.224 4 0 1.99647101703953 6404603 COC1=C(N=NC(=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.673 3 1 4.39959396051862 6404590 C1=CC(=CC(=C1)Cl)CC2=NN=C(C=C2)Cl 1 3.731 2 0 -0.68876139283826 6404581 CC1=CC(=CC=C1)CC2=NN=C(C=C2)Cl 1 3.553 2 0 -1.0400753275974 6404578 C1=CC=C(C=C1)C2=CN=NC(=C2C#N)N 1 1.401 4 0 0 -0.697773561442193 6404571 C1=CC=C(C(=C1)CC2=NN=C(C=C2)Cl)F 1 3.272 2 0 -2.4731637611152 6404569 C1=CC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)SC4=CC=CC=C4 1 5.759 2 0 -0.933050645933416 6404567 C1COCCN1C2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4 1 2.871 3 1 -3.33231394899899 6404558 CCOC(=O)C1=C(N=C(N=N1)C2=CC=CC=C2)OC3=CC=CC=C3Cl 1 4.6 3 3 -1.10358324801535 6404552 CCOC(=O)C1=C(N=C(N=N1)C2=CC=CC=C2)OC3=CC=C(C=C3)Cl 1 4.6 3 3 2.96857427746815 6404548 CCOC(=O)C1=C(N=C(N=N1)C2=CC=CC=C2)SC3=CC=CC=C3Cl 1 5.158 3 2 -3.84402782971543 6404544 CCOC(=O)C1=C(N=C(N=N1)C2=CC=CC=C2)SC3=C(C=CC=C3Cl)Cl 1 5.822 3 2 -1.88205769053117 6404540 CC(C)OC1=C(N=NC(=N1)C2=CC=CC=C2)C(=O)OC(C)C 1 3.463 3 3 -3.5384480358814 6404538 COC1=C(N=NC(=N1)C2=CC=CC=C2)C(=O)OC 1 2.01 3 3 -1.50678125465836 6404535 C1=CC=C(C=C1)CC2=NN=C(C=C2)Cl 1 3.067 2 0 -1.95833716902416 6404530 CC1=CC=C(C=C1)OC2=NN=C(C=C2C#N)C3=CC=CC=C3 1 4.623 3 1 3.35633352758323 6404528 C1=CC=C(C=C1)C2=NN=C(C(=C2)C#N)OC3=CC=CC=C3Cl 1 4.801 3 1 1.10617469268655 6404526 C1=CC=C(C=C1)C2=NN=C(C(=C2)C#N)OC3=CC=CC=C3 1 4.137 3 1 2.57506805356618 6404525 COC1=CC=C(C=C1)OC2=NN=C(C=C2C#N)C3=CC=CC=C3 1 4.12 3 2 2.79809074723953 6404516 CN(C)C1=C(N=NC(=N1)C2=CC=CC=C2)C(F)(F)F 1 3.276 4 0 2.39985481559356 6404515 CNC1=C(N=NC(=N1)C2=CC=CC=C2)C(F)(F)F 1 2.922 4 0 2.94447410569387 6404514 C1COCCN1C2=C(N=NC(=N2)C3=CC=CC=C3)C(F)(F)F 1 2.963 4 1 3.93150596144722 6404513 C1=CC=C(C=C1)C2=NC(=C(N=N2)C(F)(F)F)SC3=CC=CC=C3 1 5.232 3 0 4.519284284834 6404511 C1=CC=C(C=C1)C2=NC(=C(N=N2)C(F)(F)F)OC3=CC=CC=C3 1 4.674 3 1 7.41950253588496 6404509 C1=CC=C(C=C1)C2=NC(=C(N=N2)C(F)(F)F)SC3=CC=C(C=C3)F 1 5.437 3 0 6.16858433160078 6404508 C1CC2=CC(=NN=C2C3=CC=CC=C31)SCC4=CC=C(C=C4)Cl 1 6.088 2 0 1.68817654597345 6404504 C1CC2=CC(=NN=C2C3=CC=CC=C31)SCC4=CC=CC=C4Cl 1 6.088 2 0 -1.95021481620152 6404496 C1=CC=C(C=C1)C2=NN=C(C(=C2)C#N)SC3=CC=C(C=C3)F 1 4.9 3 0 2.32083536454695 6404493 C1=CC=C(C=C1)C2=NN=C(C(=C2)C#N)SC3=CC=CC=C3 1 4.695 3 0 0.392761651717341 6404491 COC1=CC=C(C=C1)SC2=NN=C(C=C2C#N)C3=CC=CC=C3 1 4.678 3 1 1.19599212993756 6404490 CC1=CC=C(C=C1)SC2=NN=C(C=C2C#N)C3=CC=CC=C3 1 5.181 3 0 1.6089583390817 6404488 C1=CC=C(C=C1)C2=NN=C(C(=C2)C#N)SC3=CC=C(C=C3)Cl 1 5.359 3 0 3.43095702966852 6404485 C1=CC(=CC=C1N2C(=O)C=C3C(=N2)C(=NN3)N)Cl 1 0.588 5 1 0 -3.6247269886997 6404484 CC1=C(C2=CC=CC=C2N1)C3=NN=C(C=C3)Cl 1 3.471 3 0 0.411520901463285 6404473 CC1=CC=CC(=C1)C2=NN=C3C4=CC=CC=C4C(=O)C3=C2 1 4.166 2 1 6.81491107932817 6404314 CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4 1 4.129 5 3 0 -10.1350291029712 6404262 COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4)OC 1 3.934 4 5 0 -12.8038614733915 6404197 COC1=CC=CC=C1N2CCN(CC2)C3=NN=C(C=C3)Cl 1 2.779 4 1 0.615822659769264 6404196 COC1=CC=C(C=C1)N2CCN(CC2)C3=NN=C(C=C3)Cl 1 2.779 4 1 2.39682057424331 6404186 C1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)COC5=CC=C(C=C5)[N+](=O)[O-] 1 3.759 5 4 0 -6.8632252296599 6404160 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCCCC4)S(=O)(=O)N(C)C 1 3.669 4 2 -8.91259858431323 6404049 CC1=CC(=NN1)C2=NNC(=S)N2NC=C3C=C(C(=O)C(=C3)OC)OC 1 0.464 6 3 0 -4.55753592526476 6403921 C1=CC=C(C=C1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4 1 4.586 3 3 -3.09236560307572 6403907 CC1=CC(=CC=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4 1 4.453 4 3 0 -5.6834913975542 6403897 CC1=NC2=C(N1C)C=CC(=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5 1 4.501 5 0 -1.34166241446186 6403881 CC1=CC(=NC=C1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 3.278 6 1 0 -15.7851310206253 6403829 C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5 1 4.004 5 2 0 -9.78368240110773 6403605 COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)N5CCCCC5 1 4.817 4 3 0 -12.6065080093857 6403524 COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br 1 3.294 4 4 0 -10.065029768163 6403467 CC1=CC=C(C=C1)C2=NN=C(SC2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4C)N=N3 1 5.077 7 1 0 -15.4769719270341 6403443 CCOC(=O)C(=NC1=CC=C(C=C1)Cl)NO 1 2.032 2 3 3.40467946007302 6403441 CCOC(=O)C(=NC1=CC=CC=C1)NO 1 1.367 2 3 0 0.886577296561519 6403417 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC(=NN=C2Cl)Cl 1 2.694 3 4 0 -8.57035888453404 6403411 CC1=CC=C(C=C1)N2C3=C(C(=N2)C)N=C(N=N3)SC 1 3.469 5 0 -0.976793496849685 6403402 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4)OC 1 4.262 4 5 0 -15.1683337753555 6403238 C1COCCN1C2=C(N=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 3.434 5 3 0 2.98401177917329 6403211 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)NC)S(=O)(=O)N 1 2.918 5 3 0 -17.6599896409842 6403209 CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NCC4=COC=C4 1 2.72 5 2 0 -22.0279840615869 6403182 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC)C 1 5.734 4 1 2.42377715101347 6403179 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4C5=CC=CC=C5N=N4)C 1 5.966 5 0 4.23131535241487e-002 6403054 COC1=CC=CC(=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4 1 3.95 4 4 0 -7.6273977653398 6402994 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4 1 3.707 4 4 0 -11.1884252551552 6403001 COC1=CC=C(C=C1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4 1 4.57 3 4 0 -2.61229001818573 6402998 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4 1 4.939 4 3 0 -9.79066403216402 6402832 C1=CC=C(C=C1)NC(=O)CSC2=NN=CC3=CC=CC=C32 1 2.837 3 1 -7.67110731874487 6402754 CCN(CC)C(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.503 4 1 -12.6878458633138 6402475 C1=CC(=CC=C1C2=NC(=C(N=N2)C3=CC=C(C=C3)Br)N)Cl 1 4.356 4 0 8.16450496209027 6402473 C1=CC=C(C=C1)C2=C(N=C(N=N2)C(Cl)Cl)C3=CNC4=CC=CC=C43 1 4.921 4 0 4.66062492571114 6402472 C1CSCCN1C2=C(N=NC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 4.948 4 0 8.33468579505292 6402471 C1CSCCN1C2=C(N=NC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4 1 5.032 4 0 6.87802604995148 6402470 C1CSCCN1C2=C(N=NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 4.948 4 0 8.33468579505292 6402465 CN1CCN(CC1)C2=C(N=NC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4 1 4.557 5 0 10.4236900936561 6402463 CC1=C(C2=CC=CC=C2N1)C3=C(N=NC(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5 1 6.201 4 0 9.82586976184108 6402462 C1=CC=C(C=C1)C2=C(N=C(N=N2)C3=CC=C(C=C3)Cl)C4=CNC5=CC=CC=C54 1 6.055 4 0 9.33846285757117 6402455 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)OC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5 1 6.437 3 2 -3.80582476890542 6402449 CC1=NN=C(C=C1)NC2=CC=CC(=C2)C(F)(F)F 1 2.888 3 0 4.86995448795643 6402446 CC1=CC2=C(C=C1C)N(N=N2)C3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5 1 5.966 5 0 -1.79401861964438 6402409 C1CCN(CC1)CCSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)N=N2 1 5.612 5 0 -9.39771923934897 6402388 C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)SCC(=O)NC5=CC=CC=C5F 1 5.07 4 1 -11.0747778302928 6401847 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCOCC4)S(=O)(=O)N 1 2.027 4 3 0 -9.30585757907058 6401820 C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4C5=CC=CC=C53)N=N2 1 4.865 4 1 -9.9765808216525 6401801 COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br 1 3.294 4 4 0 -9.75715699345425 6401797 CCNC(=S)NNC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.065 6 0 -2.44958018294861 6401740 C1=CC=C(C=C1)NC2=NN=C(C=C2)Cl 1 2.537 3 0 4.52072078718487e-002 6401738 COC1=CC=C(C=C1)NC2=NN=C(C=C2)Cl 1 2.521 3 1 -0.211104862898942 6401736 C1=CC=C(C=C1)OCC2=NNC(=S)N2N/C=C\3/C=CC(=O)C(=C3)O 1 1.368 4 3 0 -5.70641933401659 6401731 CCOC1=NN=C(C=C1)OC2=NC(=CC(=N2)OC)C 1 2.73 4 3 0 -8.82729833036256 6401723 CN1C2=C(C=C(C=C2)F)C3=C1N=C(N=N3)NN 1 1.275 6 0 0 -1.56639448089696 6401719 C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)F)C4=C2N=C(N=N4)NN 1 2.859 6 0 -3.14981200218637 6401717 C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)F)C4=C2N=C(N=N4)NN 1 3.18 6 0 -3.40590725214051 6401699 CCC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)NN)C 1 2.012 6 0 -1.20918926639665 6401698 CCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)NN 1 1.905 6 0 0 1.51291593182984e-002 6401697 CCC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)NN)CC 1 2.361 6 0 0.887438202483908 6401690 C1=CC=C(C=C1)C2=C(N=C(N=N2)C3=CC=CC=C3)C4=CNC5=CC=CC=C54 1 5.391 4 0 5.85154164990843 6401689 C1COCCN1C2=NC(=CN=N2)C3=CC=CC=C3 1 1.281 4 1 0 7.8610429492363 6401687 CCN(CC)C(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)OC 1 3.701 3 2 -10.11118213078 6401686 CC1=CC(=CC=C1)NC2=NN=C(C3=CC=CC=C32)CC(=O)OC 1 3.377 3 2 -6.55006073485418 6401684 C1=CC=C(C=C1)C2=NN=C3C=CC4=[N+](ON=C4C3=C2)[O-] 1 0.375 4 2 0 7.19712276299351 6401682 CC(C)(C)C(=O)NC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.665 4 1 -7.31446989639762 6401679 COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)OCC4=CC=CC=C4 1 5.157 2 2 -0.300823091358296 6401678 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4 1 5.012 3 0 -4.8598105241158 6401677 CC1=NN=C(C2=CC=CC=C12)SCC(=O)NC3=CC=C(C=C3)OC 1 3.103 3 2 -11.2502345888705 6401676 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)OC4=CC=C(C=C4)C 1 6.139 2 1 2.10462804526109 6401675 CC1=NN=C(C2=CC=CC=C12)NCC3=CC=CC=C3 1 2.861 3 0 -6.47409975471164 6401670 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)OC4=CC=CC(=C4)C 1 6.139 2 1 3.76701633793966 6401668 COC1=C(C=C(C=C1)CC2=NN=C(C3=CC=CC=C32)Cl)OC 1 3.942 2 2 -5.01304707744126 6401665 CC1=CN=NC2=C1C3=NO[N+](=C3C=C2)[O-] 1 -1.086 4 2 0 4.97019926313763 6401647 COC(=O)C1=NNN=C1C2=CC=CC=C2 1 1.855 3 2 0 -0.681029223561587 6401640 C1=CC(=CC=C1F)S(=O)(=O)NNC2=NN=C(C=C2)Cl 1 1.702 4 2 0 -4.83197135588464 6401637 C1=CC(=CC=C1C(=O)NNC2=NN=C(C=C2)Cl)Cl 1 2.458 4 1 -3.65004449105847 6401520 CC1=CC(=CC=C1)NC(=O)CSC2=NC(=C(N=N2)C)C 1 2.334 4 1 -9.43747042143069 6401499 C1CCC(CC1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 3.685 5 1 -20.1395868252623 6401490 CC1=CC(=C2C(=C1)C3=C(N2)N=C(N=N3)SCCC(=O)O)C 1 3.469 4 2 -11.2969143549307 6401485 CC1=CC(=C2C(=C1)C3=C(N2)N=C(N=N3)SCC(=O)O)C 1 3.221 4 2 -11.4496752122358 6401479 CCC1=C(N=NC(=N1)SCC(=O)NC2=CC=CC=C2Cl)CC 1 3.846 4 1 -15.1449560095204 6401474 CCC1=C(N=NC(=N1)SCC(=O)NC2CCCC2)CC 1 3.007 4 1 -18.375114753267 6401469 C1=CC(=C(C=C1NC2=NN=C(C=C2)N3C=CN=C3)Cl)Cl 1 3.201 5 0 2.05264396627114 6401440 CCOC(=O)CSC1=NC2=C(C3=CC=CC=C3N2C)N=N1 1 3.029 4 2 -15.704976724745 6401431 COC1=CC=CC=C1NC(=O)C2=CC(=NN=C2Cl)Cl 1 2.727 3 2 -6.7754658158167 6401430 C1=CC=C(C=C1)OC2=NN=C(C3=CC=CC=C32)C4=CC=CS4 1 5.12 2 1 -0.727150927323669 6401387 CCN(CC)C1=C(N=NC=N1)C2=CC=CC=C2 1 2.929 4 0 0.997617129844747 6401302 C1=CC=C(C=C1)C2=NNN=C2NC3=CC=CC=C3 1 3.023 4 0 4.8365900810672 6401297 COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCOCC4 1 2.819 3 2 -1.90486868792378 6401290 C1CCCN(CC1)C2=NN=C(C=C2)Cl 1 2.54 3 0 -0.601154293629905 6401273 C1CCC(CC1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3 1 4.157 3 1 -10.6905002812703 6401261 CC1=CC2=C(C=C1)NC3=C2N=NC(=N3)NN 1 1.35 6 0 0 -3.48118275984379 6401255 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)NN 1 1.418 6 0 0 -2.33946650756793 6401209 CC(C)CSC1=NC2=C(C3=CC=CC=C3N2)N=N1 1 3.959 4 0 -11.8181517444158 6401203 CC1=NN=C(C2=CC=CC=C12)SCC(=O)NC3=CC=CC=C3 1 3.12 3 1 -11.1623355151121 6401200 CC1=CC(=NN1C2=NC3=C(C4=CC=CC=C4N3C)N=N2)C 1 3.086 6 0 -2.10451818892987 6401181 C1=CC=C(C=C1)C(=O)C2=NC=CN2C3=NN=C(C=C3)Cl 1 3.105 4 1 -4.52934745517118 6401174 C1=CC=C(C=C1)C2=C3C(=C(SC3=NN=C2C4=CC=CC=C4)C(=O)N)N 1 3.285 4 1 -1.12376266532381 6401162 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4C(=CC(=N4)C)C 1 4.747 4 0 -4.23856955086405 6401155 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4C5=CC=CC=C5N=N4 1 5.479 5 0 -1.23571639716943 6401148 COC1=CC=C(C=C1)C2=CC3=C(S2)N=C(N=N3)C4=CC=CC=C4 1 4.486 3 1 3.46414375209532 6401144 C1=CC=C2C(=C1)C=NN(C2=O)C3=NN=C(C=C3)Cl 1 2.43 4 1 -1.45514788963012 6401134 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCCCC4 1 4.552 3 0 9.71836439331271e-002 6401129 CC1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)C 1 5.289 3 0 -3.31849993822233e-002 6401120 CC1=NN(C(=O)C2=CC=CC=C12)C3=NN=C(C=C3)Cl 1 2.411 4 1 -3.77331888988598 6401119 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)Cl 1 1.232 4 3 0 -9.39039733151677 6401118 C1=CC(=NN=C1N2C=CN=C2)OCC(F)(F)F 1 1.95 4 1 0 -3.96154970117707 6401112 CCOC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCCCC4 1 4.398 3 1 -1.08200571691904 6401111 CCOC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCOCC4 1 3.168 3 2 -2.6710918396318 6401109 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)CCO 1 3.052 4 1 3.88845365477175 6401106 CC1=CC=CC=C1OC2=NN=C(C3=CC=CC=C32)C4=CC=CS4 1 5.606 2 1 -1.83922585923194 6401104 CC1=C(C=C(C=C1)OC2=NN=C(C3=CC=CC=C32)C4=CC=CS4)C 1 6.092 2 1 4.98234880100051e-002 6401103 CC1=CC=C(C=C1)OC2=NN=C(C3=CC=CC=C32)C4=CC=CS4 1 5.606 2 1 -7.05039183424621e-002 6401102 CC1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=CS4 1 4.271 3 0 -4.3126654558969 6401101 CN1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=CS4 1 3.059 4 0 7.51381341256851e-002 6401094 CC1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4 1 4.317 3 0 -1.9541439634034 6401093 CCN1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4 1 3.454 4 0 0.82700372316832 6401058 CC1=C(C=C(C=C1)NC2=NN=C(C=C2)NCC3=CC=CC=C3)C 1 4.095 4 0 5.64055963093369e-002 6400980 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCCCCC4 1 5.008 3 0 9.71836439331271e-002 6400979 CCN1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C 1 3.94 4 0 1.46993313649592 6400964 CN1C2=CC=CC=C2C3=C1N=C(N=N3)SC4CCOC4=O 1 2.697 4 2 -6.33933843826487 6400963 CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SC)CC4=CC=CC=C4 1 5.043 4 0 -3.65497965010318 6400962 CCOC(=O)CSC1=C2C(=CN=N1)C=CC(=C2OC)OC 1 2.224 2 4 -10.9761121514582 6400928 CC(C)CC1=CC=C(S1)C(=NO)C(=O)O 1 2.886 1 3 1.56447832819155 6400927 CCCCNC(=O)N(C)C1=C(N=CN=N1)C(=O)NC 1 0.41 6 2 0 -13.8598811512273 6400926 C1=CC=C(C=C1)C2=NN=C3C(=C2)N(C4=CC=CC=C4N3)CCCO 1 3.059 4 1 0.325731437503065 6400925 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC)(C(F)(F)F)C(F)(F)F 1 3.34 4 4 0 -9.80639121000871 6400924 CC1=C2C(=NN1)C=NN2 1 0.491 4 0 0 0.656065009775423 6400923 C1CCN(CC1)C2=NC(=CN=N2)C3=CC=CC=C3 1 2.511 4 0 9.45012907194907 6400922 CC1=NN=C(C2=CC=CC=C12)SCC(=O)N3CCOCC3 1 1.437 3 2 0 -13.7460895475402 6400920 CC[N+]1=NC(=NC(=C1)C2=CC=CC=C2)N3CCOCC3.[I-] I- 1 2.203 4 1 4.12860769975478 6400919 CC1=NN=C(C2=CC=CC=C12)NCC=C 1 1.895 3 0 0 -9.33144288919483 6400918 COC(=O)C1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.434 3 2 -0.521218919181097 6400908 CC(=NO)C(=O)NCCN1CCCCC1 1 0.373 3 2 0 -5.20626498664009 6400907 C1=CC=C2C(=C1)C=NN3C2=NNC3=O 1 0.895 4 1 0 -4.02014510991932 6400906 C1=CC(=CN=C1)CNC(=O)C=NO 1 -0.329 3 2 0 -7.25254734470649 6400903 C1CCCN(CC1)CCCCCC(=O)C=NO 1 2.622 2 2 -0.965866836404648 6400960 C1=CC=C(C=C1)C(=NO)C(=O)N 1 0.785 2 2 0 -2.45657998036834 6400958 CC(=O)C(=NO)C[N+]1(CCCCC1)C.[I-] I- 1 -0.593 2 2 0 -2.98733092637372 6400956 C[N+]1(CCCCC1)CCNC(=O)C=NO.[I-] I- 1 -1.061 3 2 0 -8.99618733342155 6400955 CN(C)CCCNCCCCNC(=O)C=NO 1 -0.315 4 2 0 -5.36932269646084 6400953 C[N+]1=CC=CC(=C1)CNC(=O)C=NO.[I-] I- 1 0.426 3 2 0 -5.59309821677095 6400952 CNC(=O)C(=NO)C1=CC=CC=C1 1 0.991 2 2 0 -5.68413552200342 6400951 C1=CC=C(C=C1)CNCCCNC(=O)C(=NO)C2=CC=CC=C2 1 2.239 3 2 -7.52031585174946 6400950 C1=CC=C(C=C1)CNC(=O)C(=NO)C2=CC=CC=C2 1 2.574 2 2 -7.04398867467405 6400949 C1=CC=C(C=C1)CCNC(=O)C(=NO)C2=CC=CC=C2 1 2.895 2 2 -7.44188251895858 6400948 C1=CC=C(C=C1)C(=NO)C(=O)NCC2=CN=CC=C2 1 1.424 3 2 0 -8.5564259347803 6400947 CN(C)CCCN(CCCNC(=O)C=NO)CC1=CC=CC=C1 1 1.224 4 2 0 -5.85647660423386 6400946 C1CCN(CC1)CCNC(=O)C(=NO)C2=CC=CC=C2 1 2.047 3 2 -6.92747575627088 6400944 C[N+](C)(CCCNC(=O)C=NO)CC=C.[I-] I- 1 -1.299 3 2 0 -12.2075780689984 6400943 CN(CCCCCNC(=O)C=NO)CC1=CC=CC=C1 1 2.059 3 2 -4.37782033789359 6400941 CCCCN1C2=CC=CC=C2N(C3=CC(=NN=C31)C)CCCO 1 2.93 4 1 0.205717911403442 6400940 CN(CCCNC(=O)C=NO)CC=C 1 5.6e-002 3 2 0 -9.94188736881263 6400939 CC(C)(C)NC(=O)C=NO 1 0.17 2 2 0 -7.92162710973044 6400938 CC(=NO)C(=O)NCCCNCCCN(C)C 1 -0.817 4 2 0 -4.01398282839443 6400937 C1COCCN1CCCNC(=O)C=NO 1 -0.873 3 3 0 -8.45799773037156 6400936 CN(CCCCCC(=O)C=NO)CC1=CC=CC=C1 1 2.832 2 2 0.748330628028646 6400934 CC(=NO)C(=O)NCCCN1C=CN=C1 1 -0.879 4 2 0 -4.09464144695353 6400933 CCNC(=O)N(C)C1=C(N=CN=N1)C(=O)NC 1 -0.57 6 2 0 -11.5546908171111 6400932 C1=CN(C=N1)CCCNC(=O)C=NO 1 -0.958 4 2 0 -4.75498054125743 6400931 CNC(=O)C1=C(N=NC=N1)N(C)C(=O)NCC2=CC=CC=C2 1 0.665 6 2 0 -11.3813469267866 6400930 C1=CC(=CC=C1NC(=O)C=NO)F 1 1.02 2 2 0 -1.55811259942715 6400286 C1=CC=C(C(=C1)C(=O)O)NC(=O)C=NO 1 0.445 2 4 0 -5.5055805243524 6400215 CC1=NNSC1=C2N=C3C=CC=CC3=N2 1 1.177 4 0 0 -3.44813855043805 6399627 C1=NNN=C1CC(=NO)C(=O)O 1 -0.34 4 3 0 -1.29472612550729 6399229 C1CCN(CC1)CCNC(=O)C=NO 1 0.294 3 2 0 -5.86660408094399 6399197 C1=CC(=CN=C1)NC(=O)C=NO 1 -0.336 3 2 0 -2.86673376603819 6399157 C1=CC=C(C=C1)N/N=C/2\C(=NN(C2=N)C3=CC=CC=C3)N 1 2.15 6 0 -3.80535621861441 6399063 C1=CC=C(C=C1)NC(=O)C=NO 1 0.815 2 2 0 -2.42664376326575 6399038 C1C2=CC=CC=C2C(=O)C1=NO 1 1.382 1 2 0 1.2564564128059 6398943 CCOC1=C/C(=C/2\C3=C(C(CCC3)C)NC(=C2C#N)N)/C=CC1=O 1 1.905 3 2 0 -8.14514534249141 6398942 COC1=CC=CC=C1N2/C(=C\3/C=CC=CC3=O)/NN=C2SCC(=O)N4CCCCC4 1 3.181 4 3 0 -19.8213674563563 6398899 CC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCCN4CCOCC4 1 3.08 5 1 -8.92803505131881 6398901 CCNCCN/C(=C/1\C(=O)C2=C(CCCC2)NC1=O)/O 1 0.477 3 3 0 -12.581419652095 6398940 C1=C/C(=C\NC2=C(N=C3N2C=CC=C3)C4=CC=CO4)/C(=O)C=C1 1 2.721 3 2 -3.14958707820766 6398939 CN(C)CCN/C(=C/1\C(=O)C2=C(CCCC2)NC1=O)/O 1 0.664 3 3 0 -10.1309864518844 6398935 COC1=CC=C(C=C1)CCN/C(=C/2\C(=O)C3=C(CCCC3)NC2=O)/O 1 2.413 2 4 -12.0101770856807 6398933 CCCCN1C2=CC=CC=C2C(=O)/C(=C(/O)\OCC)/C1=O 1 2.879 1 4 -2.28087849300076 6398931 CCOC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CCOC)C3=CC=CO3)/O 1 1.866 1 6 0 -11.5545642221532 6398929 C1CCC2=C(C1)C(=O)/C(=C(/NCC3=CC=CC=N3)\O)/C(=O)N2 1 1.173 3 3 0 -13.8418354922393 6398926 CCCCCCN1C2=CC=CC=C2C(=O)/C(=C\3/NC4=CC=CC=C4C(=O)N3)/C1=O 1 4.041 3 3 -7.45059991981229 6398919 CCOC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CCOC)C3=CC=NC=C3)/O 1 1.427 2 5 0 -7.96322840167655 6398918 CCOC(=O)CC(=O)CSC1=NC2=C(C3=CC=CC=C3N2)N=N1 1 2.734 4 3 0 -17.2578499071103 6398916 CCOC(=O)CN(C1=CC=CC=C1)C(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 3.665 5 3 0 -22.5879138221066 6398914 COC1=C(C=C(C=C1)CCN/C(=C/2\C(=O)C3=C(CCCC3)NC2=O)/O)OC 1 2.397 2 5 0 -16.0082918140498 6398912 CC1=NN=C(N1N=C/C=C/C2=CC=CC=C2)C 1 1.926 4 0 0 5.32617379476152 6398908 COC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=NO 1 2.845 1 3 -3.86922701184689 6398906 CCN(CC)CCN/C(=C/1\C(=O)C2=C(CCCC2)NC1=O)/O 1 1.361 3 3 0 -12.6201786656793 6398905 C1CCC(CC1)NC(=O)/C(=C\2/C=CC=CN2)/N=O 1 1.188 3 2 0 -8.98534711263422 6398904 COC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=CS4)/O 1 2.032 2 5 0 -12.6878001518818 6398903 CC1=CC(=C(C=C1)C)/C(=C/2\C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=CO4)/O 1 2.463 2 5 0 -12.7740711743588 6398588 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].O.O.O.[Al] H2O H2O H2O Al+3 1 -23.778 0 35 0 -12.7478441699996 6396876 CC1=CN2C(=N)/C(=C\C3=CN(C4=CC=CC=C43)CCCOC5=CC=CC=C5)/C(=O)N=C2S1 1 4.519 4 2 -11.0833409981704 6393890 CCOC(=O)/C=C/C(=O)OCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] 1 1.369 2 7 0 -8.19302552054154 6393804 C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/C=C/C3=CC=CO3)/SC2=S 1 3.446 2 4 -2.79986668852655 6393683 CC\1=NN(C(=O)/C1=N\NC2=CC=C(C=C2)N(C)C(=O)C)C(=S)N 1 1.015 6 2 0 -5.91052469941562 6393553 CC(C1=CC=CC=C1)NC(=O)/C(=C/C2=CC=C(O2)[N+](=O)[O-])/C#N 1 2.72 3 4 0 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9.21878696491459e-002 6339385 CC1=CC(=C(N1C(C)C)C)/C=C/2\C(=O)N(C(=O)N2)C3=CC=CC=C3 1 2.836 3 2 -5.29677974423811 6339373 CC\1=NN(C(=O)/C1=N\NC2=CC=C(C=C2)N(C)C(=O)C)C3=CC=CC=C3 1 2.15 5 2 0 -9.01667401749682 6339121 CC\1=NN(C(=O)/C1=C/C=C/C2=CC=CC=C2)C3=CC=CC=C3 1 3.502 2 1 3.36992603086201 6392042 C/C(=C(\C(=O)C1=C(C=CC=C1F)F)/C(=O)OC)/NC 1 1.928 1 3 0 -5.52537250263413 6391584 C/C(=C\C(=O)OCC(=O)NCC1=CC=CC=C1)/C(=O)OCC(=O)NCC2=CC=CC=C2 1 2.223 2 6 0 -10.2681859828619 6391326 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC 1 2.962 2 8 0 -7.31526846770773 6390973 CCCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)CC4=CC=CC=C4)C)/C(=O)N=C2S1 1 4.728 5 1 -19.2052906346486 6390924 C/C(=C(/C#N)\C(=O)COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)/N 1 2.336 2 3 -13.8459322764834 6390914 CCOC(=O)/C(=C\C1=CNC2=CC=CC=C21)/NC(=O)C 1 1.62 2 3 0 -3.95536678400203 6390760 C1C2CN(CC1C3=CC=CC(=O)N3C2)/C=C/4\C(=O)OC(=N4)C5=CC=C(C=C5)[N+](=O)[O-] 1 1.108 4 5 0 -10.1955931958936 6338637 CN\1CCC/C1=C/C=C\2/C(=O)N(C(=S)N2C)C 1 1.688 3 1 0 -4.5400521257097 6338610 C1=CC=C(C=C1)COC(=O)NC[P+](=O)O 1 1.389 1 4 0 -4.10458364466886 6338099 C1CCN2[C@H](C1)C34C[C@H]2C=CC3=CC(=O)O4 1 1.449 1 2 0 -2.85808740290859 6338045 CCOC(=O)C1=CN=CN1[C@@H](C)C2=CC=CC=C2 1 2.379 2 2 -6.04936880905366 6335412 C1=CC(=CC=C1C(=O)NCCC(=O)O)N/N=C\2/C=CC(=O)C(=C2)C(=O)O 1 1.075 3 6 0 -15.9732610687235 6335338 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NC3=CC=CC=C3O 1 2.908 1 2 1.61219797701153 6326580 CCOC(=O)C1(/C(=N/NC2=CC=CC=C2OC)/C(=O)C(=O)N1C3=CC=CC=C3)C 1 3.154 3 5 0 -5.10150121536485 6324617 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3([C@H]2O)[C@@]6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O 1 -0.854 0 10 0 -2.06312864695404 6324594 CCN1C2=CC=CC=C2N=C1N/C=C/3\C=CC=C(C3=O)CC=C 1 3.207 3 1 -6.97154352079655 6324593 C1=CC=C(C=C1)CNC(=O)C2=CN/C(=C\N=O)/C=C2 1 0.643 3 2 0 -9.05396911756441 6324592 C1=CC=C(C=C1)CNCCCNC(=O)C2=CN/C(=C\N=O)/C=C2 1 0.308 4 2 0 -8.40748489015072 6324591 C1=CC=C(C=C1)CN/C=C/2\C=CC=C(C2=O)O 1 1.29 1 2 0 -4.31485031402356 6324590 CCOC1=C/C(=C/NN2C=NN=C2)/C=C(C1=O)CC=C 1 0.373 4 2 0 -6.30525136838669 6324589 CN(C)CCCNCCCNC(=O)/C(=C\1/C=CC=CN1)/N=O 1 -0.804 5 2 0 -8.4890071145408 6324588 CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C(C)C)C 1 2.762 2 2 -11.2570992498562 6324587 CCOC1=CC=C/C(=C/2\NC(=C3C(=N2)N(C(=O)N3)C4=CC(=CC=C4)Cl)C(=O)N)/C1=O 1 1.088 5 4 0 -5.51719246015166 6324586 CCC(CC)C(=O)NCCC1=CC2=C(C(=C(C=C2)C)C)NC1=O 1 3.675 2 2 -9.90343571626724 6324585 CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=CO3)C 1 2.693 2 3 -8.43352158339757 6324584 CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C)C 1 1.633 2 2 0 -7.81953284893135 6324583 CC(C)(C)C(=O)NCCC1=CC2=C(C=CC(=C2NC1=O)OC)OC 1 2.174 2 4 -15.9779072129816 6324582 CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=O)CC(C)(C)C)C 1 3.214 2 2 -11.9143179940765 6324581 C1COCCN1C(=O)CCC2=NNC(=O)NC2=O 1 -1.597 4 4 0 -25.598710717336 6324580 CCCCN(C)C(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.72 3 5 0 -24.8215397649337 6324579 C1CC(OC1)CNC(=O)CC2=CC(=O)NC(=O)N2 1 -1.18 3 4 0 -22.171826829127 6324578 C=CCNC(=O)C1=C/C(=C/2\C=CC=CC2=O)/ON1 1 -8.e-003 2 3 0 -13.3923361164261 6324577 CC1(CC2CC(C1)(CN2C(=O)C3=C/C(=C\4/C=CC=CC4=O)/ON3)C)C 1 1.623 2 3 0 -15.2645117003748 6324576 C1CC2=C(C1)NC(=O)C=C2C3=CC=CC=C3Cl 1 2.931 1 1 -6.99915155667745 6324573 CN1CCN(CC1)C(=O)C2=CC(=C3C=CC(=O)C=C3)ON2 1 -0.461 3 3 0 -3.22666485690544 6324572 CC1=CC2=C(C=C1)NC(=O)C3=C2SC(=C3)C(=O)NCCN4CCN(CC4)C 1 2.338 4 2 -10.2495804460797 6324571 C1COC2=C(O1)C=CC(=C2)N=C3C(=C4C=CC(=O)C=C4)NC5=CNC=CN53 1 0.166 4 3 0 -4.14756135726125 6324570 CC1=C2C(=O)C=CC=C2NC(=C1)N3CCN(CC3)C4CCCCC4 1 3.173 3 1 -1.63878857869804 6324569 C1COCCN1CCCNC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2 1 -0.736 3 4 0 -9.54223783153694 6324568 CC1=CC2=C(C=C1)NC(=O)C3=C2SC(=C3)C(=O)N(C)CC4=CC=CO4 1 3.213 2 3 -9.40316536595407 6324567 CC1=C2C=NNC(=O)C2=C(N1CC3=CC=C(C=C3)F)C 1 2.233 3 1 -8.37965994797185 6324566 COC1=C/C(=C/2\C(=NC3=CC=CC=C3)N4C=CNC=C4N2)/C=CC1=O 1 6.8e-002 4 2 0 -2.82136968510485 6324565 CCN(CC)CCCNC(=O)C1=CC(=C2C=CC(=O)C=C2)ON1 1 0.274 3 3 0 -8.86297622545015 6324564 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4 1 1.001 4 5 0 -20.2108625456725 6324563 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=C4C=CC(=O)C=C4)ON3 1 1.689 2 3 0 -8.39917663382549 6324562 CC(C1=CC=CC=C1)NC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2 1 1.337 2 3 0 -8.12975130635712 6324560 CCOC(=O)CCC1=C(C2=C(NN(C2=NC1=O)C3=CC=CC=C3)C)C 1 2.421 3 3 -11.2542046599368 6324559 C1COCCN1CCNC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2 1 -0.798 3 4 0 -9.34945039302146 6324557 CC1CCN(CC1)C(=O)C2=C/C(=C\3/C=CC=CC3=O)/ON2 1 0.75 2 3 0 -11.0779223057432 6324556 CCCNC(=O)C1=CC(=C2C=CC(=O)C=C2)ON1 1 0.248 2 3 0 -8.74376197985119 6324555 CCOC1=CC2=C(C=C1)NC=C(C2=O)S(=O)(=O)C3=CC=C(C=C3)F 1 2.557 1 4 -9.03826649978048 6324553 CC1=CC2=NC(=O)/C(=C/3\NOC(=N3)C4CCCCC4)/C=C2C=C1 1 3.371 3 2 -3.75019020658085 6324552 C1CCN(C1)C(=O)C2=C/C(=C/3\C=CC=CC3=O)/ON2 1 4.2e-002 2 3 0 -8.03434418767067 6324551 C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C4C=CC(=O)C=C4)ON3 1 1.24 2 3 0 -9.33913474203078 6324550 CC(COC)NC(=O)C1=CC(=C2C=CC(=O)C=C2)ON1 1 -0.378 2 4 0 -10.339071369244 6324548 CC1=C2C=CC(=O)C=C2NC(=C1)NCC3=CC=CO3 1 1.587 2 2 0 -4.92050371998913 6324547 CC1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C(=O)NN=C4 1 3.713 3 1 -7.00206334194253 6324546 CC1=C(C=CC=C1Cl)NC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2 1 2.103 2 3 -2.72208377891716 6324545 CCC(C)NC(=O)C1=C/C(=C/2\C=CC=CC2=O)/ON1 1 0.626 2 3 0 -13.5930687881192 6324544 CC1=CC2=C(C=C1)NC(=O)C3=C2SC(=C3)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 2.724 3 4 0 -10.5989314847268 6324543 CC1=C2C=CC(=O)C=C2NC(=C1)N3CCN(CC3)C4=CC=C(C=C4)OC 1 2.971 3 2 -0.43240074872411 6324542 CC1=CC(=O)N=C(N1)SCC2=CC(=O)N3C(=N2)SC(=N3)C 1 1.451 5 2 0 -20.8142897136688 6324541 C1CN(CC2=CC=CC=C21)C(=O)C3=C/C(=C\4/C=CC=CC4=O)/ON3 1 1.24 2 3 0 -11.7442462120953 6324540 CC1=C2C=CC(=O)C=C2NC(=C1)N3CCC(CC3)N(C)C4CCCC4 1 2.871 3 1 -3.39985748254192 6324539 COC1=C(C=C(C=C1)NC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2)OC 1 0.919 2 5 0 -9.39845133786111 6324537 C1=CC(=O)C=CC1=C2C=C(NO2)C(=O)NC3=C(C=C(C=C3Br)F)F 1 2.112 2 3 -1.76206817913587 6324536 CC1=C2C=CC(=O)C=C2NC(=C1)N3CCOCC3 1 1.045 2 2 0 -5.09489565632818 6324535 COC(=O)CSCC1=NC2=CC=CC=C2NC1=O 1 1.022 2 3 0 -18.806264047911 6324455 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32 1 2.117 2 3 -18.6684858947291 6324429 CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)O)C 1 2.715 3 4 0 -18.4956297041904 6324404 CC1=CC(=O)NC2=C(C=C(C=C12)S(=O)(=O)N3CCCCC3)C 1 2.219 2 3 -18.6430685371359 6324349 CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)O 1 4.752 3 4 0 -14.1176269577522 6324332 CC1=CC(=O)NC2=C(C=C(C=C12)S(=O)(=O)NCC3=CC=CC=C3)C 1 2.679 2 3 -10.2175415384575 6324217 C1=C(C(=CC(=C1NC2=C(NC=NC2=O)N)[N+](=O)[O-])C#N)C#N 1 -0.304 7 3 0 -7.93937956725473 6324196 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)NC2=CC(=C(C=C2)F)Cl 1 0.563 3 4 0 -10.3669389519055 6324160 CC\1=CC(=NC(=O)/C1=C\2/CC(N(N2)C3=CC=CC=C3F)C4=CC(=C(C(=C4)OC)OC)OC)C 1 3.815 3 4 0 -7.88180067146994 6324103 C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3NC2=O 1 1.895 3 1 0 -8.68704431988054 6323989 C1C(C2=C(C3=CC=CC=C3NC2=O)OC1=O)C4=CC(=CC=C4)F 1 2.499 1 3 -6.14336145803544 6323985 C1C(C2=C(C3=CC=CC=C3NC2=O)OC1=O)C4=CC=CC=C4F 1 2.499 1 3 -8.38888038714612 6323941 CC1=CC(=O)N=C(N1)SCC(=O)NC(CSCC2=CC=CC=C2)C(=O)OC 1 2.067 3 4 0 -30.2202167863469 6323939 CSC1=NC(=O)C2=C(N1)NC(=O)CC2C3=CC(=CC=C3)Br 1 2.574 3 2 -9.41831210592895 6323934 CSC1=NC(=O)C2=C(N1)NC(=O)CC2C3=C(C(=CC=C3)Cl)Cl 1 3.154 3 2 -10.0151749926787 6323933 CCC1=C(NC(=NC1=O)SCC(=O)NC2=NC=C(S2)CC(=O)OCC)C 1 2.034 4 4 0 -22.7293290702271 6323932 CSC1=NC(=O)C2=C(N1)NC(=O)CC2C3=CC=C(C=C3)Br 1 2.574 3 2 -9.80639775850888 6323923 COC(=O)C(CSCC1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)N 1 1.334 4 4 0 -26.6546986011542 6323818 C=CCN1/C(=C/2\C=CC=CC2=O)/NN=C1SCC3=CC=CC(=C3)C#N 1 3.517 4 1 -20.6702054960733 6323812 CC1=CC=C(C=C1)N/N=C\2/C=CC(=O)C(=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 5.885 2 2 -5.84764701874712 6323808 CC1=CC(=NC(=N1)Cl)OC2=NN=C(C=C2)OC 1 2.732 4 2 -2.08211130769053 6323782 COC1=CC=C(C=C1)C2=NN/C(=C\3/C=CC=CC3=O)/O2 1 2.326 2 3 -6.42641615263409 6323753 CC\1=NN(C(=O)/C1=N/NC2=CC=CC=C2Cl)S(=O)(=O)CC3=CC=CC=C3 1 3.07 4 3 0 -10.0610463651732 6323709 CCOC(=O)C1(/C(=N/NC2=CC(=CC=C2)Cl)/C(=O)C(=O)N1C3=CC=CC=C3)C 1 3.834 3 4 0 -0.780732742033603 6323682 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.051 7 2 0 -23.6690115886785 6323681 CCOC(=O)C1(/C(=N/NC2=CC=CC=C2Cl)/C(=O)C(=O)N1C3=CC=CC=C3)C 1 3.834 3 4 0 -2.94900864591645 6323667 CCO/C(=C/1\C(=O)C(=C(NC1=O)C)Cl)/O 1 0.641 1 4 0 -5.3850955100828 6323639 C1=CC=C2C(=C1)C(=CN2)CC(=O)NN/C=C/3\C=CC=CC3=O 1 1.335 3 2 0 -7.51850294287941 6323625 COC1=C/C(=C/NNC2=C(C(=NS2)SC)C#N)/C=CC1=O 1 1.556 4 2 0 -6.13388717842575 6323147 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NN/C=C/3\C=CC=C(C3=O)[N+](=O)[O-] 1 0.276 7 4 0 -4.36941635239281 6323075 COC1=CC=C/C(=C/NC2=C(N=C3N2C=CC=C3)C4=CC(=C(C=C4)O)OC)/C1=O 1 2.755 3 4 0 -1.38242119511738e-002 6323035 CCOC1=C/C(=C/NNC(=O)CSC2=CC=CC3=C2N=CC=C3)/C=CC1=O 1 1.623 3 3 0 -8.58270592826092 6322980 C1CCC2=C(C1)N=C(S2)N/C=C/3\C(=O)C=CC4=CC=CC=C43 1 3.065 2 1 -3.27205102427901 6322971 CCN(C1=CC(=O)/C(=C/NN/C=C\2/C(=O)C=C(C=C2)N(CC)CC)/C=C1)CC 1 1.079 4 2 0 -2.88219709587248 6322970 C1CCN(C1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN/C=C/4\C=CC=CC4=O 1 -5.7e-002 9 3 0 -23.1986483014929 6322526 COC1=C/C(=C/NNC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)/C=CC1=O 1 2.264 5 3 0 1.72159164783378 6322477 CC1=C(C=C(C=C1)N/C=C/2\C=CC(=CC2=O)OCC=C)Cl 1 3.554 1 2 -6.99333844071686 6322475 COC1=CC=C(C=C1)N/C=C/2\C=CC(=CC2=O)OCC=C 1 2.387 1 3 -7.38445924600598 6322434 CCOC1=C/C(=C/NNC(=O)C2=CC3=C(C=C2)OCCO3)/C=C(C1=O)Br 1 1.282 2 5 0 -6.23301549516241 6321632 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NN/C=C\2/C=CC(=O)C(=C2)[N+](=O)[O-] 1 0.478 4 7 0 -8.52456583373901 6321604 COC1=C/C(=C/NNC(=O)CNC(=O)C2=CC=CO2)/C=CC1=O 1 -0.851 3 5 0 -9.37801428990815 6314190 COC1=CC=CC=C1/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC=C3 1 3.529 2 3 -1.19200718623038 6314053 CC1CCCCC1NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 3.158 1 5 -13.1900217139425 6314034 CC(C(=O)NNC=C1C=CC(=O)C=C1)NC(=O)C2=CC=CC=C2 1 0.55 3 3 0 -10.7901654685165 6313124 COC1=CC=CC(=C1)NC(=S)/C(=C(/C2=CC=C(C=C2)OC(F)F)\[O-])/[N+]3=CC=CC=C3 1 4.887 2 3 0.271886600913176 6313026 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)/C=C/C3=C(C(=CC=C3)OC)OC 1 3.325 1 6 0 -17.3599186844749 6313017 C1=CC(=CC(=C1)NNC=C2C=CC(=O)C=C2)C(=O)NNC=C3C=CC(=O)C=C3 1 0.949 4 3 0 -1.85631852855498 6311834 C1CC(OC1)CNC(=O)C2=C(C3=C(C4=C(/C(=C/C5=CC=CO5)/CC4)N=C3S2)C6=CC=CO6)N 1 4.136 3 4 0 -10.2958272948089 6311495 C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)CCCN3C=CN=C3 1 1.84 4 1 0 5.36313252091049e-002 6311448 CNC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=N2)[N+](=O)[O-] 1 2.013 5 3 0 -14.6784496757241 6310940 CC1=CC=CC=C1NNC2=NC3=C(C2=O)C=C(C=C3)OC 1 2.999 3 2 -0.900870020848937 6310810 CC1=CC=CC2=C(C(=O)N=C12)NNC(=O)C3=NC(=O)C4=CC=CC=C4N3 1 0.707 5 3 0 -9.70921736990587 6310750 C1=CC=C2C(=C1)NC(=N2)C(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl 1 4.952 2 1 7.96978206743731 6310548 C1=CC=C(C=C1)C2=CSC3=NC(=O)/C(=C\C4=CC=CN4CCOC5=CC=CC=C5)/C(=N)N23 1 4.783 4 2 -10.5758701481183 6310289 C1=CC(=CN=C1)/C=C(/C(=O)C2=C(C=C(C=C2)Cl)Cl)\N3C=CN=C3 1 3.254 3 1 1.0594083550175 6310253 CC1CCCCC1NC(=O)/C(=C/C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC)/C#N 1 5.127 2 5 0 -24.876790700608 6310010 C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)O)/C1=C/C4=CC(=CC=C4)O 1 2.59 2 4 -3.89120605023311 6310216 CC1=CC2=C(C(=O)N=C2C(=C1)C)NNC3=CC=C(C=C3)C(=O)O 1 2.403 3 3 -6.7036721226605 6309649 C1C/C(=C\C2=CC=C(C=C2)Cl)/C3=C1C=NN3C4=CC=CC=C4C(=O)O 1 5.189 2 2 0.17250402546508 6309277 C1=CC=C(C=C1)/C=C/CSC2=CC=CC=[N+]2[O-] 1 2.967 1 1 0.114803265288873 6309282 CC1(OCCO1)CC(=O)NN/C=C\2/C=C(C(=O)C(=C2)Br)OC 1 -0.706 2 5 0 -4.03450395248752 6309260 CC1=CC=CC=C1N\2C(=O)C(S/C2=C(/C#N)\C(=O)NC)CC3=CC=C(C=C3)F 1 3.844 3 2 -8.68245392657401 6309183 C1/C(=C\C2=CN=CC=C2)/C3=C(CN1CC4=CC=CC=C4)C(C(=C(O3)N)C#N)C5=CN=CC=C5 1 2.531 5 1 -4.76684188683048 6309180 C/C(=C(/C#N)\C(=O)CSC1=C(C=CC(=C1)Cl)Cl)/N 1 2.822 2 1 -7.34621057684023 6309027 COC1=CC(=CNNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C=C(C1=O)OC 1 -4.e-002 3 6 0 -15.7458721705491 6309019 CC1=NC(=NC(=C1)C2=CC=CC=C2)NNC=C3C=CC(=O)C=C3 1 2.106 4 1 3.1034107620558 6308829 CC1=CC=C(C=C1)N2C(=O)/C(=C(\C)/NCC3CCCO3)/C(=O)NC2=O 1 1.492 3 4 0 -12.2056215100888 6308825 CC1=C(C(N2C(=N1)N=NN2)C3=C(C=C(C=C3)OC)OC)C(=O)OCC=C 1 2.752 5 4 0 -22.3218388251245 6308774 C1=C/C(=C\NCCCCCCN/C=C\2/C(=O)C=CC=C2)/C(=O)C=C1 1 1.863 2 2 0 -7.22546285989015 6308684 C1=CC=C\2C(=C1)C=CC(=O)/C2=N\NC3=NC=CS3 1 1.967 3 1 0 -1.53253089519583 6307542 CCN1C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4)/C(=O)NC1=O 1 2.101 4 4 0 -11.495327873566 6307479 CCN(P(=O)(/C=C(\Cl)/C1=CC=CC=C1)/C=C(\Cl)/C2=CC=CC=C2)CC 1 3.866 1 1 -2.02019968093828 6307384 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NCC2CCCO2)OCC#N 1 1.269 2 6 0 -22.9046673903727 6307111 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC(=CC=C5)OCC=C)/O 1 3.301 2 6 0 -15.8481764218203 6306769 CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/NC(=S)NC3=CC=CC=C3 1 5.018 3 2 -12.4467777796611 6306680 C1=CC=C(C=C1)N/C(=C(\C#N)/C(=O)NC2=CC=C(C=C2)Cl)/S 1 3.968 3 1 -6.89015953825558 6306265 CCNC(=S)/C(=C(\C1=CC=C(C=C1)[N+](=O)[O-])/[O-])/[N+]2=CC=CC=C2 1 2.487 3 3 -6.75707573051945 6306284 COC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 3.686 1 4 -2.57013170112804 6306026 CC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4 1 5.558 2 1 -2.1632962129975 6305875 CCOC1=CC\2=C(C=C1)N(C(=O)/C2=N\NC3=CC=CC(=C3)C(=O)O)C 1 2.697 3 4 0 -5.10556876196936 6305911 CC\1=NN=C(/C1=N/NC2=CC=C(C=C2)Br)N 1 1.844 5 0 0 -1.58208734575305 6305826 C/C(=C\1/C=CC(=O)C=C1O)/NNP(=S)(C2=CC=CC=C2)C3=CC=CC=C3 1 3.185 2 2 -3.83834951572232 6305743 COCCCNC1=C(N=C(O1)/C=C/C2=CC=CC=C2)C#N 1 2.292 3 2 -6.1876741609064 6305688 C1=CC(=CC=C1/C=C/C(=O)C2=C(C=CC(=C2)Br)O)F 1 4.413 0 2 7.22167685803223 6305631 C1CN(CCN1CCO)CC2=C3C(=C/C(=C\4/C=CC=CN4)/C(=O)O3)C=CC2=O 1 -0.183 3 4 0 -3.19265928654851 6305584 CN(C)/C=C/C(=O)C1=C(C=CC(=C1)N2CCOCC2)[N+](=O)[O-] 1 1.468 3 4 0 -2.54076427264976 6305556 COC1=CC=C(C=C1)CNC(=O)/C=C/C2=C(C=CC(=C2)[N+](=O)[O-])OC(F)F 1 3.772 2 5 0 -5.75426371655443 6305399 COC1=C(C(=CC=C1)OC)C(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.203 3 4 0 0.62716045185033 6305059 CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OC(C)C(=O)NC3=C(C=C(C=N3)Cl)Cl 1 4.645 4 3 0 -3.01712729311693 6304996 CC(C)C1=CC2=C(C(=O)N=C2C=C1)NNC(=S)NC 1 1.818 4 1 0 -8.34170833122719 6304902 CC1=N/C(=N\NC2=CC=CC=C2)/C(=O)C=C1 1 2.124 3 1 -3.62560543869606 6304516 CC1=CC=CC=C1N/N=C/2\C(=NN(C2=O)C(=S)N)C 1 2.175 5 1 -1.26553556929678 6304176 CC\1=NN(C(=O)/C1=C\NN(C)C2=CC=CC=C2)C3=CC=CC=C3 1 2.254 4 1 -3.72293080630187 6303976 CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)NC(C)C 1 0.479 2 4 0 -17.4535721756943 6304043 CCCCN1C(=O)/C(=C\C=C\NC2=CC=CC=C2)/C(=O)NC1=O 1 2.208 3 3 -3.01351713600577 6303399 CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)/C=C(\C#N)/C3=CC=CC=N3 1 5.027 3 0 -9.9984491588066 6302967 CC(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)/C=C/C3=CC=CO3 1 3.392 1 4 -11.139336513492 6302770 C1CCN(CC1)N/C=C/2\C=NC3=C2C=C(C=C3)Br 1 2.23 3 0 1.34873600783983 6302758 CCN1C(=O)C(=NNC2=CC(=CC=C2)S(=O)(=O)N(CC)CC)C(=O)N(C1=S)CC 1 2.476 5 4 0 -14.8815307241534 6302725 C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)O)/C1=C/C4=CC=CC=C4OC(F)F 1 3.637 2 4 -4.35188380040423 6302649 C\1C2=C(C=C(C=C2)Cl)C(=O)/C1=C/C3=CN=CC=C3 1 3.32 1 1 4.47629962303726 6302638 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C(\C#N)/C3=NC4=C(O3)C=CC(=C4)Cl)OC 1 3.868 6 5 0 -14.1913232283533 6302446 C1=NNC(=N1)SC/C=C/CSC2=NC=NN2 1 1.633 6 0 0 -6.37713145415506 6302332 COC1=CC(=CC(=C1O)CC=C)/C=C/2\C(=O)N(C(=O)N2)CC(=O)OC 1 1.399 2 6 0 -12.6040680416834 6302330 CC(=O)/C(=C/1\NC(=O)C(S1)CC2=C(C=CC(=C2)Cl)Cl)/C#N 1 3.221 2 2 -5.79883103784068 6297827 COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)S2)OC3=NC=CN=C3 1 1.724 3 4 0 -0.584354082221125 6297652 CC1=C(C=C(C=C1)NC(=S)/C(=C(/C2=CC(=C(C=C2)C)[N+](=O)[O-])\[O-])/[N+]3=CC=CC=C3)C 1 5.451 3 3 -6.27937325748258 6297601 CCOC1=C(C=C(C=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=C(C=C2)Cl)OCC 1 3.745 1 5 -15.5000279704206 6297486 CCOC1=CC=C/C(=C\NNC(=S)NC2=CC=CC=C2[N+](=O)[O-])/C1=O 1 2.34 4 4 0 -8.60170714928445 6297320 CCC(C)N1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)NCCCOC(C)C)/SC1=S 1 3.505 4 3 0 -16.9302608304274 6297108 CCN(CC)C1=CC(=O)/C(=C/NNC(=O)CC2=CC=CS2)/C=C1 1 1.463 3 2 0 -8.99496722714174 6297073 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NCCN2C(=O)CSC2=O)OCC#N 1 0.98 3 7 0 -27.9641327242954 6296804 CCN\1C2=C(C=C(C=C2)C)S/C1=C\C3=[N+](C4=CC=CC=C4S3)CCCS(=O)(=O)[O-] 1 3.465 2 3 6.59589137471225 6296662 CC1CCCCN1C(=O)CN2C=C(C3=CC=CC=C32)/C=C/4\C5=CC=CC=C5NC4=O 1 3.79 3 2 -11.3725070273401 6296529 CCC1=C/C(=C\2/C(=C(NN2)CCC(=O)O)C3=NC4=CC=CC=C4N3C)/C(=O)C=C1O 1 1.787 4 4 0 -8.37538254028311 6296456 C1=CC=C2C(=C1)C=CC=C2/C=C(/C3=NC4=CC=CC=C4C=C3)\C(=O)C(=O)O 1 4.805 1 3 -2.20566791102834 6296286 COC1=C(C=C(C=C1)CC2=NNC(=NC2=O)NN/C=C/3\C=CC=CC3=O)OC 1 0.981 5 4 0 -16.848909226108 6296179 COC1=CC=CC(=C1)NC(=S)N/N=C\2/C3=CC=CC=C3N(C2=O)CC=C 1 3.973 4 2 -11.731024912782 6296217 CCC1=NN2C(=N)/C(=C/C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)/C(=O)N=C2S1 1 4.232 4 4 0 -25.9138219051247 6296199 C=CCOC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCN5CCOCC5 1 2.588 2 7 0 -17.9296614719222 6296178 COC1=CC=C(C=C1)NC(=S)N/N=C\2/C3=CC=CC=C3N(C2=O)CC=C 1 3.973 4 2 -11.9903360809449 6296120 CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)NC(C)C2=CC=CC=C2 1 1.714 2 4 0 -15.1418441720155 6296112 C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)O)C4=CC=CC=C4[N+](=O)[O-])/O 1 3.605 2 6 0 -6.62007739500466 6296094 CC1=CC(=CC=C1)NC(=S)N/N=C\2/C3=CC=CC=C3N(C2=O)CC=C 1 4.476 4 1 -9.78711854499637 6295909 CC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N)O 1 2.031 2 4 -5.58651574465516 6295685 CCC/C(=C/1\C(=NC)CC(CC1=O)(C)C)/NOCC=C 1 2.314 2 2 -15.5805754411786 6295644 COCCCNC(=O)/C=C/C1=CC=C(C=C1)OCC2=C(C=CC=C2Cl)F 1 3.874 1 3 -12.0594314497965 6295632 CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/S(=O)(=O)C4=CC=C(C=C4)C 1 2.998 4 4 0 -19.8801269208663 6295617 C1CC(=O)N(C1)C/C(=N/OC(=O)C2=CC=C(C=C2)Cl)/N 1 0.908 3 3 0 -8.53028390516666 6295563 CN(C1=CC=CC=C1)C2=C(C=C(C=C2)/C=C(\C#N)/C3=NN=C4N3CCCCC4)[N+](=O)[O-] 1 4.71 6 2 0 -13.7481106182741 6295227 C1=CC=C2C(=O)C=C/C(=C\NNC(=O)C3=CN=CC=C3)/C2=C1 1 0.916 3 2 0 -5.63318498308797 6295221 COC1=CC=C(C=C1)/C=C/C(=O)NCCCN2CCCC2 1 2.151 2 2 -6.65214262658396 6295152 COC1=CC=C(C=C1)/C=C/C(=O)NCCCN2CCCCCC2 1 3.064 2 2 -7.00661114075204 6295081 CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN/C=C/4\C=C(C=CC4=O)Br 1 1.103 9 3 0 -25.4886209204366 6295079 CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN/C=C/4\C=C(C=CC4=O)Cl 1 1.019 9 3 0 -24.8264528606544 6295077 CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN/C=C/4\C=CC=CC4=O 1 0.651 9 3 0 -26.1607060794548 6294881 CC1=CC2=C(C=C1)N=C(C2=O)NNC3=CC=C(C=C3)OC 1 2.999 3 2 0.61773281239829 6294434 CCN1C(=CC(=C1C)/C=C\2/C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)F)C 1 1.724 4 3 0 -10.7280155074194 6294352 C=CCN1C(=O)/C(=C/NCCCN2C=CN=C2)/C(=O)NC1=O 1 -1.023 5 3 0 -12.6371286319499 6294314 C1=CC=C2C(=C1)/C(=C/NNC(=O)CNC(=O)COC3=C(C=C(C=C3)Cl)Cl)/C=N2 1 1.907 4 3 0 -7.50074510588637 6294297 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)/C=C/C3=CC=C(C=C3)F)C(F)(F)F 1 4.718 2 3 -1.94887047318452 6294028 CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3 1 1.581 3 5 0 -15.9256814437983 6294012 CCN1C(=O)/C(=C\N2CCN(CC2)C3=CC=C(C=C3)F)/SC1=S 1 3.253 3 1 -1.88522811682781 6293661 C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br)/N 1 3.688 3 3 -12.747963585796 6293650 COC1=CC=C(C=C1)N2C(=NN=N2)/C=C\NC3=CC=CC=C3C(=O)C4=CC=CC=C4 1 3.838 5 2 0 -7.59965129143375 6293506 COC1=CC=C(C=C1)/C=C/C(=O)NC(CCSC)C(=O)OC 1 2.008 1 4 -17.6378397414616 6293464 C1=CC=C(C(=C1)NC(=O)COC(=O)/C=C/C(=O)OCC(=O)NC2=CC=CC=C2F)F 1 2.174 2 6 0 -7.1567878978421 6293382 CC(C)CN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCC5=CC=CC=C5C4)/SC1=S 1 4.536 4 2 -17.6670135166622 6293266 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3OC)OC)OC 1 4.626 1 6 0 -4.42309450493278 6293174 COC1=CC=C(C=C1)OCC(=O)O/N=C(/CC2=CC=CS2)\N 1 2.194 2 4 -0.961100051111256 6293048 C=CCC1=CC=C/C(=C\NC2=CC=CN3C2=NC(=C3)C4=CC=CC=C4)/C1=O 1 3.754 3 1 -5.75211361121479 6293013 CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)/C=C/C2=CC=CO2)Cl 1 3.388 2 4 -4.09997266842784 6292924 C1=C/C(=C/NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])/N=C1 1 -0.258 5 4 0 -7.67351367691589 6292742 CC1=CC=C(S1)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=CC=C3 1 2.625 2 2 -1.44369991991469 6292540 CCOC(=O)CN1C2=CC=CC=C2O/C(=C\C3=CC=CC=C3Br)/C1=O 1 3.527 1 4 -4.77916836354786 6292539 CC1=N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)N1C3=CC=C(C=C3)Cl 1 3.342 3 3 -5.81258395634043 6292538 CC1=N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)N1C3=C(C=C(C=C3)F)F 1 3.089 3 3 -6.60167729738779 6292537 CC1=N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)N1C3=CC=C(C=C3)OC 1 2.661 3 4 0 -8.04754885607139 6292469 CCC1=CC=C(C=C1)CC2C(=O)N/C(=C(/C#N)\C(=O)C)/S2 1 2.835 2 2 -8.94937413299995 6292453 CCOC(=O)CN1C2=CC=CC=C2O/C(=C\C3=C(C=CC=C3Cl)F)/C1=O 1 3.648 1 4 -6.58509657153228 6292351 CCOC(=O)/C=C\1/N(C(=O)C(S1)C)CC(=O)N(CCC#N)C2=CC=CC=C2 1 1.998 3 4 0 -11.1711704806112 6292079 COC1=C(C=C(C=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2)O 1 3.673 1 4 -4.63113491840342e-002 6292001 CCOC(=O)N/N=C\1/C2=CC=CC=C2N(C1=O)CC(=O)OC 1 1.005 3 5 0 -8.96877239234001 6291948 CC\1=NC2=CC=CC=C2/C1=C/NNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)NC4=CC=C(C=C4)OC 1 2.893 5 5 0 -3.49210015383496 6291897 CC1CCCC(C1C)NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 2.43 2 7 0 -24.3962870200974 6291563 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)N2)CC(=O)OC)OC 1 0.965 2 6 0 -14.3352203458088 6291459 C1CC2CC3CC1CC(C2)(C3)C(=O)NN/C=C/4\C=C(C=C(C4=O)Br)[N+](=O)[O-] 1 2.549 3 4 0 -1.99736488590947 6291421 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)C3=C(C4=C(S3)C=C(C=C4)OC)Cl 1 3.563 3 2 -1.54572935148786 6291074 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NN/C=C/3\C=CC(=O)C(=C3O)O 1 1.098 3 4 0 -6.99745171437061 6290975 CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N4CCOCC4)C5=CC=CC=C5 1 3.386 5 4 0 -2.83507044992082 6290772 CCCC(=O)NC1=NN=C(S1)/C=C/C2=CC=CC=C2 1 2.94 3 1 -11.2321849852271 6290402 COC1=CC=C/C(=C\NNC(=O)C2=CC3=C(C=C2)N=CN3)/C1=O 1 0.21 4 3 0 -6.80718839115417 6290259 CC1=C(SC(=N1)N2C(/C(=C(/C3=CC=CC=C3)\O)/C(=O)C2=O)C4=CC=CO4)C(=O)OC 1 2.667 2 6 0 -14.0767040403963 6290236 CC1=CC=C(C=C1)C2=N/C(=C\NC3=CC=CC(=C3)C)/C(=O)O2 1 3.626 2 2 -6.35752817458108 6290108 CC(=C1C=CC(=O)C=C1)NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4 1 1.607 8 3 0 -22.7668059913406 6289851 CCNC1=CC=CC=C(C1=O)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.454 1 4 -6.31858389311696 6289828 CN(C)S(=O)(=O)C1=CC=C(C=C1)N/C=C(\[N+](=O)[O-])/S(=O)(=O)C2=CC=CC=C2 1 2.052 3 6 0 -7.95494696827664 6289442 CC1=CC=C(O1)/C=C/2\C(=O)NC(=O)N2C 1 0.483 2 3 0 -4.32464415573113 6289422 CC(C)(C)C1=NN=C(N(C1=O)N)NN/C=C/2\C=C(C=CC2=O)Br 1 0.822 6 2 0 -3.98975958234213 6289341 CC1(CCCCC1=O)/[N+](=C/C2=C(C=C(C=C2)Cl)Cl)/[O-] 1 3.446 1 2 6.05463591833645 6289301 CC1(C(N(C(=S)S1)N/C=C/2\C=C(C=CC2=O)Br)N(C(=O)NC)O)C 1 2.026 4 3 0 -7.43479463757684 6289299 CC1=CC(=NC(=N1)N)NN/C=C/2\C=CC(=O)C(=C2)OC 1 -0.36 5 2 0 0.889713751749181 6289258 C1=CC2=C(C=CC=N2)C(=C1)N/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 2.027 3 3 -3.25187417345905 6289256 C/C(=C\1/C(=O)C2=CC=CC=C2OC1=O)/NC 1 1.264 1 3 0 -4.94226798179359 6289234 CCCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4CCNC(=O)C4CC(=O)OCC)/SC1=S 1 2.323 5 5 0 -37.1047412394346 6288749 COC1=CC=C(C=C1)/C=C/C(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 1 2.526 1 4 -13.8951139892873 6288431 CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NNC=C4C=CC(=O)C=C4 1 1.472 8 4 0 -20.6988705932168 6288415 COC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCOCC4)OCC5=CC=CC=C5 1 3.264 5 5 0 -27.9639511915966 6288353 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3O)OCC(=O)O 1 3.103 2 6 0 -9.0996500492722 6288147 C1=C/C(=C\NNC(=S)NC2=CN=CC=C2)/C(=O)C(=C1)O 1 0.721 4 2 0 -5.69942606847566 6288083 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC(=C3)C)OC 1 2.381 3 5 0 -12.7423602277747 6288073 CC1=C(C=C(C(=C1)O)C(C)C)N/C=C/2\C=CC=CC2=O 1 3.537 1 2 -2.8962596090196 6287772 CCC1=CC=C(C=C1)OCC(=O)O/N=C(/C2=CC=NC=C2)\N 1 2.014 3 3 1.82488354033764 6287760 COC1=CC(=CNNC(=O)C2COC3=CC=CC=C3O2)C=C(C1=O)OC 1 0.155 2 6 0 -7.29441421862863e-002 6287631 C1=CC=C2C(=C1)C=CC=C2C3=N/C(=C\NC4=NC=CS4)/C(=O)O3 1 2.087 3 2 -6.65365541716753 6287582 COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4)OC 1 3.32 3 4 0 2.72462305636061 6287503 CC1=CC=C(C=C1)C2/C(=C(/C3=C(N(N=C3)C4=CC=CC=C4)C)\O)/C(=O)C(=O)N2CCN(C)C 1 3.373 4 3 0 -5.62164069407041 6287311 COC1=CC(=CNNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC5=C4C(=CC=C5)C3=O)C=C(C1=O)OC 1 2.035 3 5 0 1.27791611105794 6287295 C1=CC2=C(C(=O)N=C2C=C1)NNC3=CC=C(C=C3)F 1 2.086 3 1 -2.52669768178406 6287028 C1COCCN1N/C=C/2\C=CC(=O)C(=C2O)O 1 -1.501 2 4 0 -4.80326981972922 6286855 C1CC(OC1)CN/C=C/2\C(=O)NC(=S)N(C2=O)C3CC3 1 0.304 3 3 0 -13.7824222402009 6286845 CC1=C2C3=CC(=C(C=C3/C(=C\4/C=CC(=O)C(=C4)OC)/N=C2N(N1)C5=CC=CC=C5)OC)OC 1 2.786 3 4 0 -5.21671703856872 6286530 CCOC(=O)C(=O)/C(=C\N(C)C)/C1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OC 1 3.297 2 6 0 -7.10796649221553 6286510 CC1=CC(=CC(=C1)NC(=O)C2CCCN2/C=C/C(=O)C(F)(F)F)C 1 3.344 2 2 -3.80197396089263 6286507 CC1=CC(=C(C=C1)C)NC(=O)C2CCCN2/C=C/C(=O)C(F)(F)F 1 3.344 2 2 -4.47849288530428 6286505 CC1=C(C(=CC=C1)NC(=O)C2CCCN2/C=C/C(=O)C(F)(F)F)C 1 3.344 2 2 -1.69359192970315 6286444 CC\1=NC2=CC=CC=C2/C1=C/NNC3=NC(=NC(=N3)N4CCCCC4)N5CCCCC5 1 2.488 8 0 0 5.95270505569745e-003 6286181 CC1CCCCC1NC(=O)/C(=C/C2=CC=C(C=C2)SC)/C#N 1 4.064 2 1 -12.3450200220016 6285515 CCC(C)C1=C/C(=C\NO)/C(=O)C=C1 1 1.59 1 2 0 -1.92366884536583 6285343 C1CCN(CC1)C2=C(C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)O)[N+](=O)[O-] 1 4.433 2 4 2.78940983110972 6285300 C1C(=NC2=CC=CC=C2NC1=O)/C=C/C3=CC=C(C=C3)Cl 1 3.665 2 1 -3.01460655799815 6285134 CCN(CC)CCCN1C(/C(=C(/C2=CC3=C(C=C2)OC(C3)C)\O)/C(=O)C1=O)C4=CC=CC=C4 1 3.71 2 4 -8.44291380405175 6285070 C1=CC=C(C=C1)OCC(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.071 3 3 0 1.57608766414792 6284856 C1CC(C(=O)NC1)C(=O)NN/C=C/2\C=CC=CC2=O 1 -0.762 3 3 0 -16.6843156354852 6284688 COC1=C(C=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)O)OC 1 2.799 2 5 0 -10.1500750204877 6284317 CCC(=C1C(=O)N(C(=O)N(C1=O)C)C)NCC2=CC(=CC(=C2)OC)OC 1 1.351 3 5 0 -14.2631322207625 6284304 CC(C1=CC=CC=C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.838 1 3 -8.56596103422626 6284241 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)/C=C/C2=CC=C(O2)Br 1 1.869 2 6 0 -14.6412840234568 6284238 CCC(=O)NC1=CC=CC(=C1)C(=O)/C=C/C2=C(C=CC(=C2)Br)OC 1 4.221 1 3 -0.919768017214543 6284152 C1CCC(C1)C2CC/C(=C\C3=CC=CC=C3)/C2=O 1 4.481 0 1 -1.52147899993087 6284028 CN(C1=C(C=CC=C1Cl)[N+](=O)[O-])N/C=C/2\C=C(C=C(C2=O)Cl)Cl 1 3.274 3 3 -1.0901109600035 6283998 C1=CC=C2C(=C1)C(=CN2)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)F 1 3.146 3 3 3.66117875979537 6283963 C/C(=C\1/C(=O)C(OC1=O)C2=CC=CC=C2)/NCCC3=CC(=C(C=C3)OC)OC 1 3.12 1 5 -9.90893352061882 6283541 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)NNC4=C5C=C(C=CC5=NC4=O)[N+](=O)[O-] 1 3.655 5 4 0 -6.39612522829716 6283257 C1=CC2=C(C=CN=C2C=C1Cl)NN/C=C/3\C=CC(=O)C(=C3O)O 1 1.547 3 3 0 0.603595751918355 6283255 C1=CC2=C(N(C(=C2C=C1)O)N/C=C/3\C=CC(=O)C(=O)C3=O)O 1 1.056 2 5 0 0.249933119759552 6283215 CSC1=CC=C(C=C1)/C=C(/C(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3)\NC(=O)C5=CC=CC=C5F 1 2.826 3 3 -17.212818249655 6282995 C1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)/C=C/C(=O)O 1 -1.7e-002 2 5 0 -4.82775931510116 6282858 CC1=CC(=C(C=C1)C(C)C)OCC2=CC=C(C=C2)C(=O)NNC=C3C=C(C(=O)C(=C3)OC)OC 1 3.63 2 5 0 -0.500285076445179 6282754 CC1=C(/C(=C/C2=CC=C(C=C2)O)/C(=O)N1CC3CCCO3)C(=O)OC 1 1.806 1 5 0 -15.8657670278727 6282675 CCC(=C1C=CC(=O)C=C1)NNC(=O)CCC(=O)NCC2=CC=CC=C2 1 1.387 3 3 0 -15.1286874784319 6282141 CC(C(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)ON/C=C/3\C=CC=CC3=O 1 0.241 3 5 0 -18.0884680443753 6282071 C=CCN=C1N(C(=CS1)C2=CC=CO2)N/C=C/3\C=CC(=O)C(=C3O)O 1 0.916 3 4 0 -5.80646228799197 6281884 CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)OCC3=CC=CC=C3)\O)/C(=O)C1=O)C4=CN=CC=C4 1 3.628 3 4 0 -7.87047140441396 6281694 CC1=CC=C(O1)/C=C(\C#N)/C(=O)NC2=CC=CC=N2 1 1.85 3 2 0 -12.6135179461437 6281646 C1=CC(=CC=C1/C=C(\C#N)/S(=O)(=O)C2=C(C=CC(=C2)Br)Br)C(=O)O 1 4.11 1 4 -6.96106779467271 6281522 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 1.694 2 7 0 -30.6809078101487 6281477 C1CS(=O)(=O)CC1NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 1.488 2 7 0 -29.5874251108278 6281401 COCCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC=C(C=C4)F 1 1.317 2 7 0 -23.0563514876138 6281308 C/C(=C(/C#N)\C(=O)COC(=O)CC1=COC2=C1C3=CC=CC=C3C=C2)/N 1 2.053 2 4 -9.92299610451345 6281277 COC1=CC=C(C=C1)/C=C/C(=O)NCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.928 3 4 0 -11.2143224278473 6281206 CCCCC(=O)NN/C=C/1\C(=O)NC(=S)N(C1=O)CCCC 1 1.461 4 3 0 -9.44362840907061 6281152 C1CN(CCN1C(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC(F)F)C(=O)C3=CC=CO3 1 2.5 2 6 0 -5.72680286085199 6281103 CCC1=CC=CC2=C(C(=O)N=C21)NO 1 0.991 2 2 0 -5.56211969380987 6281033 C1COCCN1C2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)F 1 3.757 1 2 1.75239644694734 6281019 COC1=CC=C/C(=C\NNC2=CC=C(C=C2)[N+](=O)[O-])/C1=O 1 1.354 3 4 0 -1.30463928699783 6280810 COC1=C(C=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)/C=C/C3=CC=CO3)OC 1 2.165 1 6 0 -15.7420168844652 6280679 C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O/N=C(/C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)\N)C(F)(F)F 1 5.731 4 2 1.32645640225806 6280515 COC1=CC=C/C(=C\NNC2=C(C(=NS2)SC)C#N)/C1=O 1 1.556 4 2 0 -8.06860245451118 6280341 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(\C(=O)NCC(=O)O)/NC(=O)C2=CC=CO2 1 0.766 3 7 0 -21.5731589587047 6279732 COC1=CC(=CNN2C=C(NC2=S)C3=CC=CC=C3)C=C(C1=O)OC 1 1.106 3 3 0 -0.394321985541794 6279606 COC1=CC=C/C(=C\NNC(=O)C(=O)NC2=CC=CC=C2OC(C(F)F)(F)F)/C1=O 1 1.441 3 5 0 -9.76763516805498 6279471 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 2.458 2 7 0 -13.2114501788892 6279580 CC(C)(C)C1=CC(=CNN2C=NN=C2)C=C(C1=O)C(C)(C)C 1 2.089 4 1 -1.63680800248693 6279578 CN1C(=O)/C(=C/C2=CNC3=CC=CC=C32)/SC1=NC4=CC=C(C=C4)C(=O)O 1 3.908 3 3 -0.413850640810081 6279308 CC1=NN(C=C1/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4 1 3.543 4 1 1.99616367243209 6279076 C1COCCN1C(=O)/C=C/C2=CC=C(C=C2)OCCCF 1 1.846 1 3 0 -7.86752952227654 6279075 C1=CC(=CC=C1/C=C/C(=O)NCC2=CC(=C(C=C2)Cl)Cl)OCCCF 1 4.864 1 2 -5.16188509098602 6279051 C/C(=C(/C#N)\C(=O)COC(=O)C1=C(C=CC=C1OC)OC)/N 1 0.774 2 5 0 -13.4696127090166 6279050 CC(C)NC(=O)/C(=C/C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2Cl)/C#N 1 3.52 3 2 -17.9414398679917 6278975 CCOC(=O)NC(=O)/C(=C\NC1=C(C=C(C=C1)Cl)Cl)/C#N 1 2.791 3 3 -8.0704330624444 6278881 CC1C/C(=C\C2=CC=C(C=C2)C)/C3=C(C1)C(NC(=S)N3)C4=CC=C(C=C4)C 1 6.441 2 0 -13.9604354168073 6278153 C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)O)/C1=C/C4=C(C(=CC=C4)Cl)Cl 1 4.16 2 3 -2.58887335687309 6278152 CC1=NN(C(=C1/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2)Cl)C4=CC=C(C=C4)F 1 5.561 3 2 -1.07080094443072 6278116 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)Br)N 1 1.458 3 5 0 -11.2655931229119 6278102 C1=CC(=CC=C1N/N=C/2\C=CC(=O)NC2=O)S(=O)(=O)N 1 4.6e-002 4 4 0 -10.93148508686 6278026 C1=CC=NC(=C1)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N 1 2.563 2 2 -9.55232799622192 6277813 CCNC(=S)NNC1=C2C=C(C=CC2=NC1=O)C(C)C 1 2.167 4 1 -8.65111326421444 6277550 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)/C=C/C3=C(C=CC(=C3)OC)OC)N4CCCCC4 1 4.6 3 6 0 -6.0312269075481 6277463 CC1=CC=C(C=C1)NC2=NC(=O)/C(=C/C=C/C3=CC=CO3)/S2 1 4.128 2 2 0.432127501208934 6277393 CC1=CC(=NN1C2=NC(=NC(=N2)NN/C=C/3\C=C(C=CC3=O)OC)NC4=CC=CC=C4)C 1 2.069 8 2 0 -3.51156273390265 6277262 C1=CC=C(C=C1)CCNC(=S)NN/C=C/2\C=C(C=CC2=O)Br 1 2.912 3 1 -8.75031874667457 6277064 CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=CC=N2 1 3.095 3 0 -9.37504783282572 6276879 CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)/C=C(\C#N)/C3=NN=C(N3C4=CC=CC=C4)N5CCOCC5 1 5.089 6 1 0 -8.20343230833884 6276294 CCOC(=O)/C=C/1\NC(=O)C(S1)C 1 0.971 1 3 0 -8.33983763365399 6276161 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NCC2CCCO2 1 2.721 2 3 -11.6866170544224 6274710 CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=CC(=C(C=C2)OC)OC)/C#N)C 1 3.729 2 5 0 -15.1987140774339 6274222 CCCCCC(=O)NN/C=C/1\C=C(C(=O)C(=C1)Br)OC 1 1.518 2 3 0 -4.51568941192306 6274076 CC1=CC=CN2C1=NC(=C2/C(=C\3/C(N(C(=O)C3=O)CCN(C)C)C4=CC=CC=C4)/O)C 1 2.452 4 3 0 -11.5969916944122 6273953 COC1=CC=C/C(=C\NNC2=NC3=CC=CC=C3N2)/C1=O 1 0.88 4 2 0 1.81549889498564 6273628 CCC(C)N1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4CCNC(=O)C4CC(=O)OCC)/SC1=S 1 2.701 5 5 0 -33.9623917070883 6273578 C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)NNC=C3C=CC(=O)C=C3 1 3.209 2 1 -2.08116958944626 6273425 COC1=C(C=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2F)/C(=O)NCCN3CCOCC3)OC 1 1.994 3 5 0 -23.5269642917468 6273244 CC(C1=CC=CC=C1)N/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 1.948 2 3 0 -3.84253870323515 6273043 COC1=C(C=C(C=C1)C2=CSC(=N2)/C=C/C3=CC4=C(C=C3)OCO4)OC 1 4.36 1 4 1.10817394169623 6273136 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N/C=C/C3=NN=NN3C4=CC=CC=C4 1 3.855 5 1 -8.14620905492549 6273026 CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=C(C=C2)F)/NC3=CC=CC4=CC=CC=C43 1 4.98 2 2 -8.43558816675729 6272719 C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=C(C(=CC=C3)[N+](=O)[O-])O)/SC2=S 1 4.283 2 4 -0.504625919851972 6272597 CC1=C(C=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.744 2 6 0 -16.7019233888353 6272498 CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)/C=C/C2=C(N(N=C2)C)C 1 3.025 3 5 0 -15.1089668487893 6272474 COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)F)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 5.29 0 6 -5.75141135096074 6272469 CC1=CC=CC=C1OC2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)NC4CCS(=O)(=O)C4 1 1.918 4 5 0 -25.2008392259577 6272385 CC1=NC=C(/C(=C/NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)/C1=O)CO 1 -1.004 4 5 0 -17.820299324396 6272097 COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC(=O)C4=CC=CO4 1 4.388 3 4 0 -7.20725663112258 6271994 COC1=CC=CC=C1NC(=S)NNC2=C3C=C(C=CC3=NC2=O)Br 1 2.954 4 2 -8.35107721676387 6271559 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC 1 1.016 1 7 0 -14.2795527552299 6271327 CN(C)S(=O)(=O)C1=CC\2=C(C=C1)N=C/C2=C\C=C\3/NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5 1 3.779 4 3 0 -11.2384976013352 6271239 CCNC(=O)/C(=C/C1=C(N=C2C(=CC=CN2C1=O)C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)/C#N 1 2.088 6 4 0 -18.1309189238994 6271044 CC\1=NOC(=O)/C1=C/C2=C(C=CC(=C2)Cl)OCC#C 1 3.553 1 3 4.84022220288618 6271033 COC1=CC=C(C=C1)S(=O)(=O)NNC2=C3C=CC=CC3=NC2=O 1 0.802 3 4 0 -8.27377982654397 6270882 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=C(O3)Br 1 3.479 2 5 0 -21.6178813326062 6270727 COC1=CC(=C(C=C1)/C=C/C(=O)C2=CC(=CC(=C2O)Cl)Cl)OC 1 4.755 0 4 6.23613650595239 6270550 C/C=C/N1C=CN=C1CC(C2=CC=CC=C2)(C3=CC=C(C=C3)C)O 1 3.784 2 1 1.2324483590623 6270538 COC1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=C(C=C2)OCCCF 1 3.519 1 3 -7.40497621382597 6270298 C1=CC=C(C=C1)/C=C/C(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 3.519 2 2 3.83045135914088 6270424 C1C2CC(C1C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3 1 3.481 3 0 2.09111086349703 6270418 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2CCCCC2)/NCCC3=CC=CC=C3 1 3.357 3 3 -11.1100435126959 6269993 CC(CN1C=CN=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)C#N)/NC2=S 1 2.167 5 1 -4.07950336854688 6269782 COC(=O)C(=C1NC2=CC=CC=C2N1)C=C3C=CC(=O)C=C3 1 2.619 2 3 -3.52546666503506 6269686 CC1=C2C(=O)C=C(NC2=NC(=N1)C(Cl)(Cl)Cl)C(=O)OC 1 1.503 3 3 0 -5.8284026764781 6269616 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C/NNC(=O)C4COC5=CC=CC=C5O4)/C2=O 1 2.893 3 5 0 -5.83191835175514 6269547 CC\1=NN(C(=O)/C1=C\C2=CC=C(S2)Br)C3=CC=CC=C3 1 3.556 2 1 -0.515433785423951 6269544 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 3.339 3 4 0 -20.7886159087405 6269458 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OC 1 2.627 2 5 0 -21.2542094503314 6269387 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC=C(C=C5)N(C)C)/O 1 2.8 3 5 0 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C/C(=C\1/C=CC=CC1=O)/NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 2.503 4 2 -9.81045562737842 6266497 COC1=CC=CC(=C1)/C=C/2\C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCCN4CCCCCC4 1 3.779 3 3 -9.79416359346415 6266309 C1=CC=C(C=C1)C\2=NOC(=O)/C2=N/NC3=CC=C(C=C3)C(=O)O 1 2.806 3 4 0 -3.46283573346388 6266149 CCCC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)SC 1 4.487 1 2 -5.19384357040041 6266272 C1OC2=C(O1)C=C(C=C2)N/N=C/3\C=CC(=O)C4=CC=CC=C34 1 3.385 2 3 -2.26107364709923 6266246 CC1=CC\2=C(C=C1)NC(=O)/C2=C\C3=CC=C(C=C3)F 1 3.422 1 1 -2.76195912758897 6266144 COC1=CC(=C/C(=C\NNC2=CC=C(C=C2)C(=O)OC)/C1=O)[N+](=O)[O-] 1 1.057 3 6 0 -1.32845389931654 6266007 CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C2/C=C/C4=CC=CC=C4 1 5.066 3 1 2.25923531773768 6265941 CC(C1=CC=CC=C1)NC(=O)COC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N 1 2.996 2 4 -16.069494075241 6265949 COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NC3=NCCCS3)OC 1 4.132 2 3 -11.053204915663 6265754 C1=CC=C(C=C1)/C=C/C(=O)NC2=NN=C(O2)C3=CC=CO3 1 2.318 3 3 -3.08417159262217 6265504 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CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)S/C(=C\C4=CC=CC=C4)/C(=O)N3 1 2.698 3 4 0 -7.52158138718834 6257314 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)S/C(=C\C4=CC=CC=C4)/C(=O)N3 1 3.165 2 4 -10.4155932132805 6256902 CC(=O)N\1C2=CC=CC=C2C(=O)/C1=C\C3=CC=C(C=C3)N(C)C 1 2.641 2 2 -5.35861620339733 6256324 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 1.801 3 7 0 -14.9105849227097 6256253 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=C3CCC/C(=C\C4=CC=C(C=C4)OC)/C3=NC5=CC=CC=C52)N 1 3.844 4 6 0 -15.2226838306603 6256004 C/C(=C(/C#N)\C(=O)CSC1=NN=C(O1)C2=CC(=C(C(=C2)OC)OC)OC)/N 1 1.285 4 5 0 -17.8327278711782 6255512 COC1=CC=CC=C1/C=C/C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 3.686 1 4 -3.0672280548312 6255619 C1=CC=C(C=C1)C2=CC(=C(C=C2)NN=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-] 1 2.965 5 4 0 -5.97656208153614 6255227 C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N 1 2.909 3 3 -16.1640075853431 6255073 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC(=S)NCCCN3C=CN=C3 1 0.988 5 4 0 -22.734399450197 6255071 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=CC=NN3)/C=N2 1 0.419 5 1 0 -2.88672645459604 6255041 CC(C)NC(=S)NNC1=C2C=C(C=CC2=NC1=O)[N+](=O)[O-] 1 1.132 5 3 0 -11.8144315636871 6254938 CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2CCS(=O)(=O)C2)OCC 1 2.365 1 7 0 -20.6176284187782 6254877 COC(=O)C1=CC=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)O 1 2.687 2 5 0 -8.0144505782284 6254652 CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 1.253 4 6 0 -10.7221366842783 6254504 CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=NC=C5)/O 1 3.711 3 4 0 -4.39046282963796 6254083 CC1=C(C=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=C(O2)Br)S(=O)(=O)N(C)C 1 2.356 2 6 0 -14.5819950812746 6253973 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC3=C4C=CC=CC4=NC3=O 1 1.149 4 4 0 -21.3986453016906 6253566 C1=CC2=C(C(=O)N=C2C=C1)NNC3=CC=C(C=C3)C(=O)O 1 1.511 3 3 0 -6.11112866559565 6253496 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)OC)Cl 1 2.554 2 6 0 -10.8289215712039 6253189 CC1(CC2=CC=CC=C2/C(=C(/C#N)\N=O)/N1)C 1 2.019 3 1 -6.80011919014366 6252384 C1=CC(=O)C=CC1=CNNC(=O)CCC(=O)NC2=CC=C(C=C2)Br 1 1.091 3 3 0 -6.31405883592059 6252010 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl 1 3.622 3 3 -7.89283697555868 6251866 C1=C(C=C2C(=C1[N+](=O)[O-])C(=O)NS2=O)[N+](=O)[O-] 1 0.55 3 6 0 -4.20148025960335 6251751 CCOC(=O)N/N=C\1/C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3 1 2.881 3 3 -3.64307633143811 6251549 C\1C(ON/C1=C/2\C=CC=CC2=O)C(=O)NCC3=CC=CC=N3 1 -9.2e-002 3 3 0 -13.6429343779726 6251399 CC1=CC=C(C=C1)CN2C(=C(/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/C2=O)C(=O)OC)C 1 3.71 1 6 0 -13.7448667248691 6251393 C1=CC=C(C=C1)OC(=O)NC(=O)/C(=C/C2=CC=CC=C2Cl)/C#N 1 4.013 2 3 -10.8677246462263 6251359 CC1=CSC(=NC)N1N/C=C\2/C=C(C(=O)C(=C2)Br)OC 1 0.885 3 2 0 -1.71474591002757 6251331 CC1=NN(C(=C1)NC(=O)/C=C/C2=CC=CC=C2Cl)C3=NC4=CC=CC=C4N3 1 4.437 5 1 -5.39870613529188e-002 6251080 CC1=CC=C(C=C1)N2C3=CC=CC=[N+]3/C(=C(/NC(C)C4=CC=CC=C4)\[O-])/C2=S 1 5.251 3 1 -5.99214848565243 6251078 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)N/C(=C/2\C(=S)N(C3=[N+]2C=C(C=C3)C(=O)N)C4=CC=C(C=C4)OC)/[O-] 1 2.61 5 5 0 -15.1971833838147 6251022 CC1=C(/C(=C\NNC(=O)C2=CC(=O)C(=O)C(=C2)O)/C(=CN1)CO)O 1 -2.72 3 6 0 -8.39991200991342 6250726 CCCN1C2=CC=CC=C2/C(=N/NC3=NC4=CC=CC=C4C=C3)/C1=O 1 3.696 4 1 1.21046783592725 6250621 C1=CC(=CC=C1NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])F 1 1.828 4 3 0 -1.63180163092172 6250552 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)/C=C/C2=CC=CO2 1 2.275 2 5 0 -17.6701505688362 6250481 COC1=C(C=CC(=C1)/C=C/C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)OC(F)F 1 3.605 1 6 0 -6.74379978457302 6250605 COC1=CC=CC=C1N2C3=[N+](C=CC(=C3)C(=O)NCCO)/C(=C(/NC4=CC=CC=C4C(F)(F)F)\[O-])/C2=S 1 3.616 4 4 0 -12.5398164665514 6250494 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OC(F)F)OC 1 2.064 1 7 0 -17.9548238680721 6250439 CN1/C(=C(\C#N)/C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)/SC(NC1=O)(C5=CC=CC=C5)C(F)(F)F 1 4.069 7 2 0 -8.19874038537196 6250392 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCN3C(=O)/C(=C\C4=CN=CC=C4)/SC3=O 1 1.458 4 5 0 -16.8016678844505 6250312 C1COCCN1CCNC(=S)/C(=C(/C2=CC=C(S2)Cl)\[O-])/[N+]3=CC=CC=C3 1 2.482 3 2 -3.24839977539906 6249938 CC1=CC2=C(C=C1)OC(C3=C2N=C4C(=C3)C(=O)N=C(N4)SC)O 1 3.249 3 3 -1.51118653069597 6249918 CC(C)CCOC1=CC=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)O 1 4.396 2 4 -8.22914339512737 6249900 C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 1.303 5 7 0 -2.89518246172061 6249596 COC1=CC=C/C(=C\NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)/C1=O 1 2.105 4 3 0 -6.47523628934192 6249835 CC1=NN(C(=C1/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2)Cl)C4=CC=C(C=C4)F 1 5.105 3 2 1.24394878936759 6249616 C1CC2C(N(N=C2/C(=C/C3=CC=CC=C3)/C1)C(=O)N)C4=CC=CC=C4 1 3.993 3 1 -4.93877565079129 6249557 CCOC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)OCC(C)C 1 3.623 2 5 0 -20.943386839581 6249312 C1=CC=C2C(=C1)C=CC=C2C(=O)/C=C/C3=CNC4=CC=CC=C43 1 4.903 1 1 6.83093134204009 6249199 CN1C2=CC=CC=C2N=C1/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)S(=O)(=O)N)/C#N 1 3.693 4 3 0 -6.62223180305058 6249170 COC1=CC=CC=C1CNC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.877 2 5 0 -24.1636683540018 6249134 CC(N1C/C(=C\C2=CC=C(C=C2)N3CCOCC3)/C(=O)/C(=C/C4=CC=C(C=C4)N5CCOCC5)/C1)C 1 4.333 3 3 -0.393232428958594 6249114 C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)/C=C/C(=O)O 1 3.916 1 3 0.985118109006615 6248830 CC1=CC=C(C=C1)/C(=N/OC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)/N 1 4.852 3 2 7.18814262140625 6248815 CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=C(S2)NC(=O)C)C3=CC=CS3 1 4.522 4 1 -17.7864829859794 6248794 COC1=CC=C(C=C1)/C(=N/OC(=O)CSC2=CC=CC=C2)/N 1 2.764 2 3 0.949362522577856 6248769 C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1O)/N 1 0.565 2 4 0 -10.1005104809926 6248443 CC1=CC=CC=C1C(=O)/C=C/2\N(C(=O)CS2)C 1 2.379 1 2 -5.110496895704 6248031 CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NNC(=C3)C(=O)NN/C=C/4\C=CC(=O)C(=C4)OC 1 2.031 6 3 0 -2.110414720315 6248053 COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=CN3C=C(C=CC3=N2)Cl)O 1 3.098 2 4 -3.01354029060973 6247698 CC1=CC=C(C=C1)/C=C/C2=NN=C(O2)C3=CC=C(C=C3)C 1 4.494 2 1 3.63900428824221 6247456 CN=C1N(C(=CS1)C2=CC=CS2)N/C=C/3\C=CC=CC3=O 1 1.933 3 1 0 -7.03338871829295 6247300 C1=CC=C(C=C1)C(=O)/C=C(/C2=CC=C(C=C2)Cl)\N3C=NC=N3 1 3.613 3 1 -0.312301921453092 6247192 CC1=CC(=O)OC2=C1C=CC(=C2C(=O)/C=C/C3=CC(=C(C=C3)O)OC)O 1 3.717 0 6 -0.953343168993391 6247184 CCN1C(=NC2=CC=CC=C2C1=O)/C=C/C3=CC=CC=C3Cl 1 4.18 2 1 -1.54414835928494 6247117 C1CCC2=C(C1)N=C(S2)/C(=C/C3=CN=CC=C3)/C#N 1 2.757 3 0 -11.4985408717701 6247103 COC1=CC(=CC(=C1OC)OC)/C=C/2\CCC3=C(C4=CC=CC=C4N=C23)C(=O)O 1 4.572 1 5 -4.386657521556 6246802 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3OC)N4CCCCC4 1 4.616 3 5 0 -5.30915666065314 6246628 C1C/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O 1 4.972 2 4 -3.0164026733242 6246607 C/C(=C\1/C=CC=CC1=O)/NN/C=C/2\C=CC=CC2=O 1 0.655 2 2 0 -3.46914764868454 6246488 CC(=O)N1C(CC(=N1)C2=CC=CC=C2OC(=O)/C=C/C3=CC=CC=C3)C4=CC=CC=C4 1 4.651 2 3 -7.7288330994207 6246448 CN\1CCC/C1=C\C=C\2/C(=O)N(C(=S)N2C)C 1 1.688 3 1 0 -4.5400521257097 6246342 C/C(=C\1/C=CC(=O)C(=C1)OC)/NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4 1 1.295 8 4 0 -22.8751444470613 6246323 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)F 1 3.177 4 3 0 -13.792181887154 6246220 CCOC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C(C3=CC=CC=C3)C(=O)O)OCC 1 4.912 1 5 -14.1584829156358 6246183 C1CC(OC1)CN2C(=O)/C(=C/C3=CNC4=CC=CC=C43)/C(=O)NC2=O 1 1.722 3 4 0 -6.63735088145389 6245902 C1/C(=C\2/C=CC(=O)C=C2O)/NN3C(=NN=C3S1)CC4=CC=CC=C4F 1 2.063 4 2 -10.444138131313 6245878 CCN1C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)O)/C(=O)NC1=O 1 1.4 3 5 0 -7.75760585398633 6245631 COC1=CC(=CNNC(=S)NC2=CN=CC=C2)C=C(C1=O)OC 1 0.634 4 3 0 -2.28738388818418 6245407 CC1=CC=C(C=C1)NC(=S)/C(=C(/C2=CC=C(C=C2)F)\[O-])/[N+]3=CC=CC=C3 1 4.79 2 1 -0.833933142327208 6245349 C1CCN(CC1)C2=NC(=N/C(=C(\N)/N=O)/N2)N3CCCCC3 1 1.846 7 1 0 -6.15960166282925 6244455 C1=CC(=CC=C1/C=C(\C#N)/C(=O)NCCCN2C=CN=C2)[N+](=O)[O-] 1 1.043 5 3 0 -13.4511694198211 6244168 CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC(=C(C=C4)OC)OC)/O 1 3.794 2 5 0 -9.42041126252716 6244123 CN(C1CCS(=O)(=O)C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)OC 1 1.186 1 5 0 -16.6515668566991 6244122 COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F)S(=O)(=O)N3CCOCC3 1 2.447 2 7 0 -18.3429848841487 6244080 C1=CC=C2C(=C1)/C(=C/NN3C(=NNC3=S)C4=CC=CC=C4F)/C=N2 1 2.953 5 0 -3.60601422829861 6244032 C1=CC=C(C=C1)C(=O)NCCC(=O)NNC2=C3C=CC=CC3=NC2=O 1 0.423 4 3 0 -16.5645171444106 6243882 CC(C)(C)C1=CC=C(C=C1)C(=O)O/N=C(/C2=CC=CC=C2)\N 1 3.787 2 2 5.09882829798372 6243872 CC1=C/C(=C(/C)\NNC2=NC=CN=C2Cl)/C=CC1=O 1 1.206 4 1 0 -1.22891611625775 6243867 CC(C(=O)O/N=C(/C1=CC=NC=C1)\N)OC2=CC=C(C=C2)Br 1 2.304 3 3 -1.50021626031303 6243865 COC1=CC(=CNNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl)C=C(C1=O)OC 1 3.18 3 4 0 -1.99271666218607 6243814 C1=CC=C2C(=C1)C=C/C(=C/C(=O)C3=C(C=C(C=C3)O)O)/N2 1 2.945 1 3 3.18669217958511 6243586 C1=COC(=C1)C(=O)/C=C/C2=CC=C(C=C2)C#N 1 2.976 1 2 -0.451161761894101 6243506 CC(=O)NC1=NN=C(S1)/C=C/C2=CC=C(C=C2)OC 1 1.8 3 2 0 -5.29349793139759 6243374 CNC1=C(C=CC(=C1)[N+](=O)[O-])N/C=C/C(=O)C2=CC3=C(C=C2)OCO3 1 2.514 3 5 0 -7.16557425983263 6243212 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NN/C=C/3\C=C(C=C(C3=O)[N+](=O)[O-])Cl 1 -7.8e-002 4 7 0 -20.8737502664094 6243210 CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)/C(=C\C3=CC=CS3)/SC2=S 1 4.898 3 4 0 -18.3749705618741 6243194 CC1=NN(C(=O)C1N/N=C/2\C=CC=CC2=O)C(=S)N 1 0.15 5 2 0 -2.83046311208005 6242886 CC(C(=O)N/N=C\1/C2=C(C=CC(=C2)Br)N(C1=O)C)N3C=NC4=CC=CC=C4C3=O 1 2.181 5 3 0 -5.48390345151266 6242884 C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)/C=C/C3=CC=C(C=C3)Cl 1 3.9 3 3 -2.22958447440156 6242651 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC2=C3C=CC=CC3=NC2=O 1 1.59 5 5 0 -12.2490407772623 6242700 CC1=CC(=C(N1C)C)/C=C(\C#N)/C2=NC3=CC=CC=C3N2 1 3.168 4 0 -1.40200407532141 6242482 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=C/3\C(=O)C(=C(N3)C)C(=O)OC 1 2.799 2 3 -12.7774955908639 6242474 COC1=C/C(=C/NNC(=O)CCC(=O)NC2=CC=C(C=C2)F)/C=CC1=O 1 0.236 3 4 0 -6.0758592116614 6242329 CCOC1=CC(=C(C=C1)N/C=C/C(=O)C2=CC3=CC=CC=C3C=C2)[N+](=O)[O-] 1 4.178 2 4 -0.391999417789233 6242299 COC1=CC=C(C=C1)/C(=N/OC(=O)CC2=CC=CS2)/N 1 2.358 2 3 -0.788571264220575 6242086 C1=CC=C(C=C1)COC(=O)/C(=C\CC(=O)O)/NC(=O)OCC2=CC=CC=C2 1 2.934 1 6 0 -7.70372626046539 6242058 C1CC2=CC=CC=C2N(C1)CC(=O)NN/C=C/3\C=CC=CC3=O 1 1.551 3 2 0 -14.1529227822336 6241837 C1=CC(=CC=C1S(=O)(=O)O/N=C(/C2=CC=NC=C2)\N)Br 1 1.841 3 3 0 0.20535608234564 6241829 CC1=CC(=O)/C(=C/2\C=CNO2)/C=C1Cl 1 0.753 1 2 0 -1.52889633013065 6241813 C1=CC=C(C=C1)CCCC(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 4.082 2 2 -0.367873647550791 6241758 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CO2)OCC#N 1 1.676 2 6 0 -20.4752310322954 6241452 CCN1C(=NC2=CC=CC=C2C1=O)/C=C/C3=CC=CC=C3C 1 4.002 2 1 -2.40423801515541 6241368 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COC1=CC=CC(=C1)C(=O)/C=C/C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-] 1 4.659 2 4 -0.96453098649262 6217765 COC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-] 1 4.659 2 4 0.496569510826433 6217763 CC1=NC=C(/C(=C/NNC(=S)NC2=CC=C(C=C2)F)/C1=O)CO 1 1.026 4 2 0 -3.05318987542002 6217762 CC1=NC=C(/C(=C/NNC(=S)NC2=CC(=CC=C2)Cl)/C1=O)CO 1 1.485 4 2 0 -1.01619764417983 6217730 CC1=NC=C(/C(=C/NNC(=S)NC2=CC(=C(C=C2)Cl)Cl)/C1=O)CO 1 2.149 4 2 -2.14497820767185 6217722 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)CNS(=O)(=O)/C=C/C3=CC=CC=C3 1 1.088 3 7 0 -18.4249707083889 6217721 C1C(CN(C1=O)CC2=CC=CO2)C(=O)NCCN3C(=O)/C(=C/C4=CN=CC=C4)/SC3=O 1 0.314 4 5 0 -19.9910740632682 6217704 CCOC(=O)/C(=C\C1=CC=C(C=C1)OC(F)F)/C2=NN3C(=NN=C3SC2)C4=CC=C(C=C4)Cl 1 5.812 4 3 0 -1.35616099974055 6217687 C1=CC2=C(C(=O)N=C2C=C1)NNC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N 1 0.485 4 4 0 -13.3403295474702 6217663 C1=CC2=C3C(=C1)/C(=N/NC(=O)C4=CC(=CC=C4)O)/C(=O)C3=CC=C2 1 3.05 2 3 -0.609252442465006 6217647 COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NCCC2=CCCCC2)S(=O)(=O)N3CCOCC3 1 2.328 2 7 0 -27.3178744560237 6217645 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)COC(=O)/C=C/C2=CC=CO2 1 0.889 2 6 0 -12.1439588897471 6217620 CCN(C1=CC=C(C=C1)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=C(C=C4)OC)C(C)C 1 4.954 3 3 -6.85916931144202 6217604 COC1=CC(=CNNC2=NC=C(C=C2)C(F)(F)F)C=C(C1=O)OC 1 0.841 3 3 0 5.05009192089787 6217600 CC1=NC=C(/C(=C/NNC2=NC=C(C=C2)C(F)(F)F)/C1=O)CO 1 -0.123 4 2 0 2.97566476705098 6217589 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)NNC=C2C=CC(=O)C=C2 1 0.338 4 3 0 -9.21007352576785 6217547 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)/C=C/C3=CC=CC=C3 1 0.188 4 5 0 -11.9115193523916 6217526 CC(C)(C)C1=CC=C(C=C1)/C=C(\C2=NC3=CC=CC=C3N2)/S(=O)(=O)C4=CC=CC=C4 1 5.945 2 2 1.62513048239403 6217510 COC1=C(C=CC(=C1)/C=C/C2=NC3=C(C=CC=C3[N+](=O)[O-])C=C2)OCC(=O)O 1 3.774 2 6 0 -9.42052258552172 6217500 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CN2CCN(CC2)C/C=C/C3=CC=CC=C3 1 3.831 4 3 0 -0.570872891991963 6217473 COC1=C(C=CC(=C1)/C=C/C2=NC3=C(C=C2)C(=CC=C3)[N+](=O)[O-])OCC(=O)O 1 3.774 2 6 0 -8.05623941062305 6217287 CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NC3CC3 1 2.253 1 4 -12.2102150451149 6217276 CCOC(=O)/C=C/C(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)N3CCOCC3 1 2.089 3 7 0 -9.22344540332146 6217239 CC1=C(SC2=C1C(=O)NC(=N2)/C=C/C3=CC=CC=C3OC(F)F)C(=O)O 1 3.96 2 4 -11.5957629278714 6217189 CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NCCCN3CCCC3=O 1 1.965 2 5 0 -23.6997838872042 6217066 C1=CC(=CC(=C1)F)/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F)\Cl 1 4.477 2 1 3.43062262079538 6217042 COC1=C(C=C(C=C1)C(=O)/C=C\2/C3=CC(=C(C=C3CCN2)OC)OC)OC 1 2.946 1 5 -9.69964473959126 6217008 CC1=C(C=CO1)C(=O)N/N=C\2/C3=CC=CC=C3N(C2=O)C 1 1.219 3 3 0 -2.76131888870562 6216967 COC1=CC=CC(=C1)C(=O)/C=C\2/C3=CC(=C(C=C3CCN2)OC)OC 1 2.962 1 4 -7.33650308814419 6216957 CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCCCN3CCCC3=O 1 1.479 2 5 0 -27.2015606842477 6216921 C1=CC=C(C=C1)C\2=NC3=CC=CC=C3/C2=C/NNC(=O)C4=CN=CC=C4 1 2.285 4 1 -6.57253133616149 6216857 C1=CC(=CC(=C1)C(F)(F)F)/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)Cl)\Cl 1 4.936 2 1 3.84096983249081 6216815 CC(C(=O)NC(=O)NC)N1CCN(CC1)C/C=C/C2=CC=CC=C2 1 1.652 4 2 0 -4.20665003036382 6216785 COC1=CC=C(C=C1)C2=C3C(=CC(=N2)C(=O)NCC4CCCO4)C5=CC=CC=C5N3 1 4.098 3 3 -4.85061990911568 6216733 CC1=CC=C(C=C1)C2=C3C(=CC(=N2)C(=O)NCC4CCCO4)C5=CC=CC=C5N3 1 4.601 3 2 -4.43765369997155 6216622 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4 1 2.757 3 5 0 -10.7028026240554 6216545 C1COCCN1C2=C(C=C(C=C2)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)O)[N+](=O)[O-] 1 3.805 3 5 0 -2.03928223642585 6216525 CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=C(C=C2)F)/NC3=CC4=C(C=C3)NC(=O)N4 1 2.934 4 3 0 -16.6619478081574 6216524 CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/NC3=CC4=C(C=C3)NC(=O)N4 1 2.729 4 3 0 -18.169472401132 6216488 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC(=CC(=C2OC)OC)/C=C/C(=O)O 1 2.683 2 8 0 -14.3146515815903 6216470 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)/C=C/C2=CC(=C(C=C2)OCC(C)C)OCC 1 3.846 4 5 0 -17.7041321582054 6216454 CC(C1=CC=C(C=C1)Cl)NC(=O)/C=C/C2=CC=C(C=C2)Br 1 4.879 1 1 -3.0298930600002 6216381 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl 1 4.978 2 6 0 -7.84340837378529 6216356 CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C/NNC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-])/C2=O)C 1 3.07 5 7 0 -19.5164459849294 6216352 CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C/NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)/C2=O)C 1 3.928 5 4 0 -12.9499213135175 6216333 COC(=O)CC1=CSC(=N1)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC(=C4)C(F)(F)F 1 3.512 3 4 0 -6.20677176605336 6216328 CCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=NC3=CC=CC=C3NC(=C2C(=O)OCC)C)OC 1 4.744 3 5 0 -20.3678555271059 6216317 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC2=C(C(=C(C(=C2F)F)F)F)F)Cl)C3=CC=C(C=C3)F 1 4.99 3 3 -3.15196373078624 6216249 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC 1 1.918 1 7 0 -13.1250918843022 6216230 C1CS(=O)(=O)CC1NC(=O)CSC2=N/C(=C/C3=CC=CO3)/C(=O)N2C4=CC=C(C=C4)OC(F)F 1 2.753 3 6 0 -25.3950778893729 6216218 CC(C)CCC(C)N/C=C/1\C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=CC=C3 1 4.293 2 2 -6.00966784313211 6216217 CC(C)CCN1C2=CC=CC=C2/C(=N/NC3=CC=CC=N3)/C1=O 1 3.704 4 1 -2.24699509919747 6216216 CCCCN1C2=CC=CC=C2/C(=N/NC3=CC=CC=N3)/C1=O 1 3.453 4 1 -0.47579510708077 6216189 CN=C1N(C(=O)C(S1)CC(=O)NC2=CC=CC=C2F)N/C=C/3\C=CC(=O)C(=C3)OC 1 1.393 4 4 0 -9.56792913769603 6216186 C1CN(CCC1C(=O)NCCN2C(=O)/C(=C/C3=CC=CC=C3F)/SC2=O)S(=O)(=O)C4=CC=CS4 1 2.586 3 5 0 -18.89538676383 6216171 C/C(=C(/C#N)\C(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl)/N 1 1.357 3 4 0 -12.0678507352303 6216150 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC)Cl)C3CCS(=O)(=O)C3 1 1.639 3 8 0 -21.2400233569943 6216135 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)C 1 1.929 3 5 0 -16.2350682762051 6216128 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCN3C(=O)/C(=C/C4=CC=C(C=C4)Cl)/SC3=O)F 1 2.679 3 6 0 -22.8288995358032 6216119 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3S2 1 1.765 2 5 0 -11.560042391816 6216105 CC(C)(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 3.209 3 6 0 -23.550888668617 6216096 C1CC1C(=O)NN/C=C/2\C=NC3=C2C=C(C=C3)Br 1 1.525 3 1 0 -2.6744376900638 6216031 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)/C=C/C4=CC=CC=C4 1 1.332 4 4 0 -9.03718265418957 6216024 CC1CCC2=C(C1)C=C(S2)C(=O)NNC3=C4C=CC=CC4=NC3=O 1 2.704 3 2 -9.74417559232855 6216001 CC1=NN(C(=C1)N/C(=N/S(=O)(=O)C2=C(C=CC(=C2)F)F)/C3=CC=CC=C3)C4=CC=CC=C4 1 5.071 4 2 -9.5559217724132 6215997 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CNS(=O)(=O)/C=C/C2=CC=CC=C2 1 0.841 3 7 0 -12.8933868699273 6215810 C1C/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C3=C1C=NN3C4=CC=C(C=C4)C(=O)O 1 4.419 3 4 0 -2.2730754459347 6215653 CC1=C(SC(=N1)C)C(=O)NN/C=C/2\C=C(C=CC2=O)Br 1 0.749 3 2 0 -7.26391705234985 6215544 CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)CC3=CC=CC=C3F)O 1 4.423 1 3 3.2968730804214 6215536 CN(CC1=CC=CC=C1F)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O 1 4.145 1 3 2.84401112708232 6215497 C1COCCN1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O 1 2.043 1 4 -4.86341562450256 6215495 COC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(=O)OC)C(=O)N=C(N3)SC 1 3.205 3 4 0 -9.06342534033285 6215469 COC1=CC=CC=C1/C=C/C(=O)NCCC2=CC=CC=N2 1 2.385 2 2 -9.20422359887341 6215456 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3OC 1 3.252 2 4 -15.8820341809454 6215397 CC1=C(C(=O)NN=C1/C=C/C2=CC=C(C=C2)OC)C#N 1 2.174 3 2 -5.57859375024151 6215320 CC1=C(C=CC2=C1OC(=O)C=C2CN3CCOCC3)O 1 1.865 1 4 0 0.954085633815973 6214326 COC1=CC=CC(=C1)C(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC 1 3.383 1 4 -8.54738613683766 6214318 COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)OCC#N 1 3.157 1 4 -4.96221816814476 6214317 CC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC 1 3.886 1 3 -6.84209227928391 6214002 COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC 1 4.544 0 5 0.726021963855628 6213987 C1=CC(=CN=C1)C(=O)/C=C/C2=CC=C(C=C2)C#N 1 2.43 2 1 -3.29259344086427 6213986 C1=CC(=CN=C1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.11 2 3 -1.98956748407966 6213468 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)/C=C/C3=CC=CC=C3OC 1 3.427 3 4 0 -7.23735084669004 6213466 CC1CCCCC1NC(=O)NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OC(F)F)OC 1 3.959 2 6 0 -12.9683243913336 6213438 COC(=O)C1=CC(=NC2=C1C(=O)N=C(N2)SC)C3=CC=CC=C3 1 3.221 3 3 -9.29374839641335 6213410 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F 1 3.518 2 4 -3.8290850992761 6213405 CC1=CC=C(S1)/C=C/C2=NC3=C(C=CC=C3O)C=C2 1 4.287 1 1 6.32373728074129 6213344 CC1CC2=CC=CC=C2N1C(=O)COC(=O)/C=C/C3=CC(=CC=C3)F 1 3.653 1 3 -5.79879601993462 6213340 CC1=CC=C(O1)/C=C/C(=O)OCC(=O)NC(C)C2=CC=CC=C2 1 2.714 1 4 -10.2284373308672 6213338 C1CCCC(CC1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Br 1 4.275 1 3 -6.01510328287964 6213337 CC1CC2=CC=CC=C2N1C(=O)COC(=O)/C=C/C3=C(C(=CC=C3)OC)OC 1 3.414 1 5 -8.89460624848369 6213326 CC1CC2=CC=CC=C2N1C(=O)COC(=O)/C=C/C3=CC=CC=C3OC 1 3.431 1 4 -8.84809998140331 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C1OC2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC(=CC=C3)Br 1 4.218 0 3 1.3921296687038 6212803 CC1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C3=C(N2)N=C(C=C3C)C)C 1 3.796 4 2 -15.703441066373 6212649 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)/C=C/C2=CC=CO2)OCC 1 2.408 2 5 0 -13.1450529424435 6212642 COC1=CC(=CC2=C3C(=C(C4=CC=CC=C4N3)C(=O)O)CCC2)C=C(C1=O)OC 1 2.896 1 5 -6.93776091528524 6212611 CN1C=NN=C1SCC(=O)N2C(C3CCC/C(=C\C4=CC=CO4)/C3=N2)C5=CC=CO5 1 3.056 5 3 0 -22.7652866517139 6212491 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)N2CCCC3=CC=CC=C32)OCC#N 1 3.224 2 5 0 -17.6200777460351 6212453 COC1=CC=CC(=C1OC)/C=C/C(=O)NNC(=O)C2=CC=CO2 1 1.701 2 5 0 -6.39363577100385 6212341 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NCC2CCCCC2 1 3.645 1 4 -9.70216149077308 6212332 CC(C)CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2 1 2.983 2 3 -9.41283901078741 6212314 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=C(N2)N=C(C=C3C)C 1 2.639 5 4 0 -24.9240319351245 6212292 C/C(=C(/C#N)\C(=O)CSC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)/N 1 3.689 3 2 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CN(C)C1=CC=C(C=C1)C2C/C(=C/3\C(=O)C4=CC=CC=C4OC3=O)/NN2C5=CC=CC=C5 1 4.304 3 3 -2.87248743126678 6187213 C1COCCN1C2=CC=C(C=C2)/C=C\3/C(=O)NC(=S)N3 1 1.68 3 2 0 -8.40297240790348 6187234 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.853 4 6 0 -31.4855377335225 6187172 CCN1/C(=C/2\C(=O)N(C(=S)N2C)C)/C=CC3=CC=CC=C31 1 3.001 3 1 -1.69431801304528 6187096 CCN1C(=O)/C(=C/N2CCCC(C2)C(=O)OCC)/SC1=S 1 2.23 2 3 -10.970711818269 6186682 C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)/C=C/C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5 1 2.895 2 6 0 -8.10020659498941 6186566 CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 4.32 3 4 0 -10.0016753196626 6186137 CCOC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CCOC3=CC=CC=C3)/C#N 1 4.472 2 3 -9.52002468370106 6185683 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN/C=C/3\C=C(C=C(C3=O)[N+](=O)[O-])Cl 1 1.325 5 6 0 -20.8029656476089 6185568 CC1=CC=C(C=C1)/C(=N/OC(=O)CSC2=CC=CC=C2)/N 1 3.266 2 2 1.29128578308695 6185045 CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)C4=CC(=C(C=C4)Cl)C(=O)O 1 4.163 2 6 0 -3.706662979361 6184635 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CN=CC=C3)/NC2=O 1 0.914 4 3 0 -9.7273705259346 6184592 C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)O)/C1=C/C4=CC=C(C=C4)F 1 3.037 2 3 -4.66660878538948 6184563 CC(=C1C=CC(=O)C=C1)NNC2=CC=C(C=C2)[N+](=O)[O-] 1 2.18 3 3 -1.53088631588836 6184514 CC1=NC2=CC=CC=C2C(=O)N1NC=C3C=C(C(=O)C(=C3)OC)OC 1 0.379 3 4 0 -3.59664774168777 6184422 CCCCOC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCN5CCOCC5 1 3.3 2 7 0 -13.8898377950541 6184350 C1=CC(=CC=C1C(=O)O/N=C(/CN2C=NC=N2)\N)Cl 1 0.869 5 2 0 -4.09525796022126 6184290 CC1=CC(=NC2=C(C(=NN12)/C(=C/C3=CC=CC=N3)/C#N)C#N)C 1 2.078 6 0 -12.0601045375038 6184270 CC1CCCCN1CC2=C(C=CC3=C2OC=C(C3=O)C4=NC5=CC=CC=C5S4)O 1 4.483 2 3 5.72239408377042 6184269 COC1=CC=CC=C1C(=O)/C=C/C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-] 1 4.659 2 4 -2.53054008526178 6184222 C\1C(ON/C1=C/2\C=CC=CC2=O)C(=O)NCC3=CC=CO3 1 2.5e-002 2 4 0 -13.5916674590674 6184189 CC\1=NN(C(=O)/C1=C(/C)\NNC(=O)C2=CC=CS2)C3=NC4=CC=CC=C4S3 1 2.376 5 2 0 -7.02112904167239 6184171 CC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)N)O 1 4.263 3 3 8.15834219596565 6184113 CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)F)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 5.792 0 5 -5.60809514208898 6184028 CN(C)/C=C/C(=O)C1=CN=C(S1)C2=CC=CC=C2 1 2.396 2 1 3.79266648594937 6184004 COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)CN3C4=CC=CC=C4N=N3 1 5.079 3 2 -7.98000223651826 6183943 CN(CC1=CC=CC=C1)/C=C/C(=O)C(C(F)(F)F)(F)F 1 3.213 1 1 -1.82819667427387e-002 6183860 C1=CC=C(C(=C1)N/C=C/C(=O)C(F)(F)F)OC(F)(F)F 1 4.577 1 2 -2.90552878847223 6183794 CSC1=NC2=CC=CC=C2C=C1/C=C(\C#N)/C3=CC(=CC=C3)Cl 1 5.586 2 0 -3.43584632424366 6183650 COC(=O)/C(=C/C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-])/C#N 1 1.736 3 5 0 -9.98442980911208 6183638 CCCCCCC(=O)NN/C=C\1/C(=O)NC(=S)N(C1=O)CCCC 1 2.374 4 3 0 -10.1433662362538 6183560 C1=CC(=O)/C(=C/NNC2=NN=C(C=C2)Cl)/C=C1[N+](=O)[O-] 1 0.671 5 3 0 -2.67906945493956 6183031 COC1=CC=C/C(=C\NNC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C(F)(F)F)/C1=O 1 2.154 4 3 0 -7.23582786445222 6183030 COC1=CC=C/C(=C\NNC2=C(SC=C2)C(=O)OC)/C1=O 1 1.268 2 4 0 -4.42782165484572 6183028 COC1=CC=C/C(=C\NNC2=C(C=NC=C2Cl)Cl)/C1=O 1 1.638 3 2 0 1.46378785360991 6182749 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)/C=C/C3=CC=C(C=C3)F 1 2.076 2 5 0 -20.011972905451 6182704 C1=CC=[N+](C=C1)/C(=C(\C2=CC=CC=C2Br)/[O-])/C(=S)NCC3=CC=CO3 1 3.757 2 2 -5.60803015446352 6182470 CC1=CC=CC=C1NC(=S)N/N=C\2/C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N(C2=O)CC=C 1 3.28 5 4 0 -30.1050130184922 6182585 CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN/C=C/4\C=CC(=O)C(=C4)OC 1 3.537 3 4 0 -4.39559238990868 6182550 CC(C1=CC=CC=C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 3.068 2 5 0 -12.4823575121703 6182363 C1=C/C(=C\NNC(=O)CN2C3C(NC(=O)N3)NC2=O)/C(=O)C=C1 1 -2.171 6 4 0 -13.4094052310232 6181973 COC1=CC=C(C=C1)/C=C/C2=CC(=O)C3=C(O2)C=CC(=C3)Cl 1 4.252 0 3 4.05895450225305 6181972 COC1=CC=C(C=C1)/C=C/C2=CC(=O)C3=C(O2)C=C(C=C3)OC 1 3.571 0 4 0.266576596701135 6181954 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC=C3C=CC(=O)C=C3 1 1.478 3 5 0 -6.56240853404706 6181907 CC\1=NN(C(=O)/C1=N/NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=S)N 1 1.267 6 3 0 -15.7964937596099 6181903 CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C 1 4.201 3 1 -5.84132431772771 6181572 CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)CN3CCOCC3 1 4.038 2 2 -3.89907184654452 6181670 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)/NNC3=CC=CC=C3 1 2.698 4 3 0 -4.95392805910174 6181653 CC1=CC(=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C 1 3.119 6 4 0 -26.1778028996944 6181634 CCON/C(=C\1/C(=O)C=C(N(C1=O)C2=CC=CC=C2)C(C)(C)C)/C 1 2.567 2 3 -2.05369438119624 6181514 COC1=CC=C(C=C1)CC2=NNC(=NC2=O)NNC3=C4C=C(C=CC4=NC3=O)Br 1 1.559 6 3 0 -11.8355233603858 6181377 CC1=NC=CC2=C1C=C(C(=O)N2)C(=O)NC(C)CCC3=CC=CC=C3 1 2.291 3 2 -12.9924390672361 6181323 C1=CC=C(C=C1)CC2=NN=C(S2)N/C=C/3\C4=CC=CC=C4C(=O)N(C3=O)C5=NC=C(C=C5)Cl 1 3.74 5 2 0 -7.48653599970419 6181255 CN(C)C1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3S2)\Cl 1 4.837 2 0 -1.16362448126411 6181153 CCOC1=CC=CC=C1OCC(=O)NN/C=C\2/C(=NC(=NC3=CC=CC=C3)S2)Cl 1 3.454 4 3 0 -4.5653212262415 6180946 CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCCOC)/C=C/C3=CC=CC=C3OC 1 3.535 2 5 0 -20.2630225489887 6180770 CC1=CC(=CC=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)N/C=C/5\C=CC(=O)C(=C5)OC 1 2.52 4 4 0 2.97184475662345 6180700 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)/C=C/C4=CC5=C(C=C4)OCO5 1 1.505 3 7 0 -19.993916592578 6180626 C1CCC2=NN/C(=C(/C#N)\C3=C4C=C(C=C(C4=NC3=O)Cl)Cl)/N2CC1 1 2.288 5 1 -12.8014479099479 6180382 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N/C=C\3/C(=C(C(=O)N(C3=O)C)C#N)C)OC 1 2.342 4 5 0 -9.34203409773875 6179492 CC1CCCC(C1C)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.447 2 6 0 -25.6932088505766 6179481 COC1=CC(=CNNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)C=C(C1=O)OC 1 1.911 3 5 0 -2.04637787332962 6179462 C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC=CO3 1 3.826 1 1 3.92456798274553 6179434 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NC2CC2 1 0.7 3 3 0 -14.2468656739296 6179397 CCOC(=O)C(=O)/C(=C/NC1=CC(=CC(=C1)C)C)/C#N 1 2.53 2 3 -5.68541457231472 6179160 CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=CC=C3)C(=O)/C=C/C(=O)O 1 3.736 2 6 0 -6.28037317680874 6177940 C1C(C(=O)N(C1=O)C2=CC=CC=C2)N3C(=O)/C(=C/C=C/C4=CC=CC=C4)/SC3=S 1 4.211 2 3 1.34798886205167 6177805 COC1=CC=CC=C1NC(=O)/C(=C/C2=CC(=C(C=C2)OCCN3CCOCC3)OC)/C#N 1 2.698 3 5 0 -18.6325586728123 6177574 C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C/C(=O)C3=CN=CC=C3)OCC4=CC=CC=C4 1 5.685 1 3 -5.38010251100473 6177572 CN1C2=CC=CC=C2/C(=N/NC(=O)CN3C=CC(=N3)C(F)(F)F)/C1=O 1 1.842 5 2 0 -7.29915840600056 6177461 COC1=C(C=C(C=C1)/C=C/C(=O)NCC(C2=CC=C(C=C2)F)N3CCOCC3)OC 1 3.117 2 4 -16.7889108308764 6177270 C1=C/C(=C\NN=C(N)N)/C(=O)C(=C1)[N+](=O)[O-] 1 -1.071 5 3 0 -3.7328687357875 6177133 C1=CC(=CC=C1CC2=NC3=C(O2)C=CC(=C3)N/C=C/4\C=C(C=CC4=O)[N+](=O)[O-])Cl 1 3.991 3 4 0 -2.35975294153323 6177132 C/C=C/C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCCCC2 1 1.88 3 5 0 -15.0332311314766 6176958 C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)S(=O)(=O)/C=C/C5=CC=CC=C5 1 2.752 4 3 0 -8.40789708159223 6176893 CCN(CC)C1=C(C=C2C=CC(=CC2=N1)C)/C=C(\C#N)/C(=O)N 1 3.21 4 1 -6.98686361569837 6176891 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC3=C4C=CC=CC4=NC3=O)C 1 1.446 5 2 0 -7.34314334928047 6176877 C1=CC(=CN=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)Cl 1 2.435 3 1 -10.1684671709832 6176428 COC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)C2=CC=CN2 1 2.777 1 4 -4.33171353438091 6176277 C1=CC(=CC=C1C(=O)O)NNC2=C3C=CC(=CC3=NC2=O)Cl 1 1.879 3 3 0 -4.70167827980358 6176152 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NNC2=C3C=CC=CC3=NC2=O)C4=CC=CC(=C4)C 1 2.633 4 4 0 -15.0565616035966 6176121 CC1=C2C(C3=C(CCCC3=O)N=C2NN1)C4=CC(=C(C=C4)OC)OC 1 1.414 3 3 0 -20.8341374801983 6175808 CC1=CC=C(C=C1)C(=O)/C=C(\CC(=O)C2=CC=C(C=C2)OC)/C3=CC=CC=C3 1 5.57 0 3 2.28304407751008 6175740 CC1=CC(=CC(=C1Cl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r)Br)C(=O)O 1 2.307 2 3 -0.144739926985264 6175261 CC1=C(C=NN1C)/C=C/C(=O)C2=CC=CC=C2O 1 2.255 2 2 3.74951641039946 6175229 CC(=C1C=CC(=O)C=C1)NNC(=S)NC2CCCCC2 1 2.927 3 1 -6.03899934517236 6175111 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC(=O)NC2CCCC2)OCC#N 1 2.092 3 6 0 -17.7934746209108 6174100 C1CC(OC1)CNC(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 1.466 2 6 0 -14.8676542614896 6173840 C1COC2=C(O1)C=CC(=C2)/C=C/C(=O)O 1 1.713 0 4 0 -2.3009957376605 6173626 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)OC(=O)/C=C/C2=CC=CS2 1 2.83 2 5 0 -18.4160176436108 6173479 COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=C/C(=O)C3=CC=C(C=C3)OCC(=O)O 1 4.589 0 7 0 -4.78584810616579 6173406 C1C(=O)N(C(=S)S1)NC=C2C=C(C(=O)C(=C2)Br)Br 1 2.024 2 2 -3.60447818952037 6172966 COC1=CC=CC=C1NC(=O)/C=C/2\NC(=O)CS2 1 1.051 2 3 0 -12.1819348665246 6172776 C1=CC=C2C(=C1)/C(=C/NNC(=O)CNC(=O)C3=CC=CS3)/C=N2 1 0.697 4 2 0 -10.6651350864135 6172639 CC1=CC(=CC=C1)OCC(=O)NC2=NN=C(S2)/C=C/C3=CC=C(C=C3)OC 1 3.786 3 3 -5.64817296611107 6172754 CC1=CC=C(S1)/C=C/C2=NC3=CC=CC=C3S2 1 4.405 1 0 6.66007147408243 6172647 C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)/NC2=O 1 4.018 2 5 0 -1.85648324932711 6172403 C/C(=C\1/C=CC(=O)C=C1O)/NNC(=O)COC2=CC=CC=C2C3=CC=CC=C3 1 2.336 2 4 -4.62320650748501 6172362 C1=CC=C(C=C1)CCNC(=O)/C(=C/C2=CC(=CC=C2)OCC3=CC=CC=C3)/C#N 1 4.816 2 2 -13.9386794346339 6172143 CN(C)/C=C/1\C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC 1 1.718 4 3 0 -9.19242928868589 6172075 CC1=C(N2C=CC=CC2=N1)/C(=C\3/C(N(C(=O)C3=O)CCCN(C)C)C4=CC=CO4)/O 1 1.317 4 4 0 -10.6159363856951 6172061 COC1=CC(=C/C=C\2/NC3=CC=CC=C3S2)C=C(C1=O)OC 1 2.912 1 3 3.40710574545359 6171996 CCOC(=O)C(=O)/C(=C/NC1=CC=C(C=C1)Cl)/C#N 1 2.222 2 3 -4.11379919020589 6171889 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN/C=C/3\C=C(C=C(C3=O)[N+](=O)[O-])[N+](=O)[O-])O 1 1.42 4 7 0 -9.80554173842099 6167454 C1CCN(CC1)CCC(=O)NNC2=C3C=CC=CC3=NC2=O 1 0.622 4 2 0 -7.19372737138544 6167384 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C(\C=O)/C3=NC4=C(O3)C=CC(=C4)Cl 1 3.255 5 4 0 -5.8176594375217 6167394 CC\1=NOC(=O)/C1=C/C2=C(C=CC(=C2)Cl)OC 1 2.361 1 3 7.10994620141188 6167337 C1C/C(=C\C2=CC=CC=C2F)/C3=C(C1)C(N4C(=N3)N=CN4)C5=CC=CC=C5F 1 3.921 4 0 -5.81282965140489 6167339 C1CCC(CC1)NC(=O)CC2C(=O)N3C(=N2)C4=CC=CC=C4NC3=S 1 3.174 4 2 -14.2111999570804 6167174 CCC1=NNC(=S)N1N/C=C/2\C=C(C=C(C2=O)[N+](=O)[O-])OC 1 0.503 5 4 0 -7.88252585172846 6166874 C1CS(=O)(=O)CC1NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-] 1 -0.96 4 5 0 -11.1953785889421 6166864 CC(=O)NC1=CC=C(C=C1)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O 1 1.725 2 4 0 -7.77750135464176 6166863 C1=CC=C2C(=C1)C(=O)/C(=C\NC(CO)C(=O)O)/C(=O)O2 1 -0.172 1 6 0 -9.30772624207387 6166857 CC(C(=O)O)N/C=C/1\C(=O)C2=CC=CC=C2OC1=O 1 0.716 1 5 0 -8.0642007597734 6166837 C1=CC=C2C(=C1)C(=O)/C(=C\NCCCCCC(=O)O)/C(=O)O2 1 1.714 1 5 0 -14.5183176493618 6166835 C1=CC=C2C(=C1)C(=O)/C(=C\NCCCC(=O)O)/C(=O)O2 1 0.801 1 5 0 -14.3056950019477 6166833 C1=CC=C2C(=C1)C(=O)/C(=C\NCCC(=O)O)/C(=O)O2 1 0.48 1 5 0 -10.739887792968 6166749 CN1C2=CC=CC=C2N=C(C1=O)/C=C/C3=CC=CC=C3 1 3.171 2 1 -1.48908971880839 6166661 C1CN(CCN1CCC(=O)NN/C=C/2\C=CC(=O)C(=C2O)O)C3=CC=CC=C3 1 0.15 4 4 0 -1.25864702676097 6166634 C1CC(OC1)CNC(=O)COC(=O)/C=C/C2=CC=CC=C2 1 1.571 1 4 0 -14.1766653040111 6166162 CC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4 1 2.223 3 5 0 -18.1873050664436 6165759 CC1=NN(C(=C1/C=C/C(=O)OC(C)C(=O)N2CCCC2)Cl)CC3=CC=CC=C3 1 3.339 3 3 -12.2774699543404 6165705 COC1=C/C(=C/C(=C2NC3=CC=CC=C3N2)C(=O)C4=CC=CS4)/C=CC1=O 1 3.809 2 3 -6.03121862032843 6165575 CC1=C(N=C2N1C=CC=C2)C(=O)NNC=C3C=C(C(=O)C(=C3)OC)OC 1 -0.166 4 4 0 -4.84209343628339 6165151 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.004 3 6 0 -25.0724153876057 6165140 CC1=CC=CN2C1=NC(=C2/C(=C\3/C(N(C(=O)C3=O)CCN(C)C)C4=CC=C(O4)C)/O)C 1 1.886 4 4 0 -13.6594068331813 6165062 C1CN(C2=CC=CC=C21)/C=C/C(=O)C(F)(F)F 1 2.885 1 1 -3.13299423978421 6164904 CC1=CC=CC=C1N2C(=O)/C(=C\NNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)/C(=O)NC2=S 1 1.021 8 4 0 -10.3197097134946 6164859 C1CC(CC=C1)/C=C\2/C3=C(C=CC(=C3)Cl)NC2=O 1 3.623 1 1 -0.28506022716852 6164785 C(=C1C(=O)NC(=O)NC1=O)NC(=S)N 1 -1.207 4 3 0 -8.01915092598317 6164782 CCC1=CC=C(C=C1)C2=CC(N3C(=N2)N=CN3)C4=C(C=CC(=C4)Br)F 1 3.961 4 0 1.20358361496377 6164100 CC(C(=O)O)OC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=NC3=CC=CC=C3)S2)CCC4=CNC5=CC=CC=C54)OC 1 6.116 3 5 0 -14.5356695879906 6163965 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4/C(=C/NC5=CC=CC=C5C(=O)O)/C3=O 1 3.827 3 7 0 -14.5778964518586 6162995 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C)C(=O)NC5=CC(=C(C=C5)OC)Cl 1 4.997 6 2 0 -9.38363318239214 6162949 C1C(C(CS1(=O)=O)O)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-] 1 -1.533 4 6 0 -8.7909960111609 6162770 CC1=NN(C=C1/C=C/C(=O)C2=CC=CS2)C 1 2.587 2 1 -1.19894023309529 6162602 CC1=CC2=NC(=C(C=C2C=C1)/C=C(\C#N)/C(=O)N)N3CCCCC3 1 3.43 4 1 -3.84162466133547 6162527 COC1=C(C=CC(=C1)/C=C(\C#N)/C2=CC=CC=N2)OCC3=CC=CC=C3 1 4.483 2 2 -11.7617788053745 6162526 CC1=CC(=C(C=C1)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=NC=CS4)C 1 3.696 3 2 -5.34509914607816 6162481 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])/C=C/3\C(=O)NC(=S)N3 1 1.574 4 4 0 -8.04729397019567 6162283 CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)/C=C/C3=CC=CS3)C 1 5.438 2 1 -3.45342542447879 6162245 COC1=CC(=O)/C(=C/NNC(=O)C2=CC=NC=C2)/C(=C1[N+](=O)[O-])OC 1 -1.026 4 6 0 -7.57985792668695 6162106 C\1C2=CC=CC=C2C(=O)/C1=C\C3=CC=C(O3)Br 1 3.77 0 2 0.836101798336419 6162018 C/C(=C\1/C=CC=CC1=O)/NNC2=C(C=C(C=C2)F)F 1 2.697 2 1 -1.57443621516047 6161917 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 1 3.417 5 4 0 -2.73040854570065 6161842 CCCCOC1=CC=CC(=C1)C2/C(=C(\C3=CC4=C(C=C3)OC(C4)C)/O)/C(=O)C(=O)N2CCN5CCOCC5 1 3.95 2 6 0 -12.0475497130004 6161794 CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)/C=C(\C#N)/C3=NN=C(N3C4=CC=CC=C4)N5CCOCC5 1 4.895 6 1 0 -10.2629151995371 6161775 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)SC4=CC(=CC=C4)Cl)[N+](=O)[O-] 1 4.939 4 3 0 -0.20720153195818 6161705 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)/C=C/C3=CC=CC=C3 1 1.47 3 4 0 1.40713819127131 6161560 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC3=C4C=CC=CC4=NC3=O 1 1.333 6 2 0 -16.4299051580003 6161440 CCOC1=CC=C(C=C1)N2/C(=C/3\C=NC4=CC=CC=C43)/NN=C2SCC(=O)N5CCC6=CC=CC=C65 1 4.941 5 2 0 -20.4967577724405 6161312 CSC1=NNC(=N1)N/C=C\2/C3=CC=CC=C3C(=O)O2 1 1.355 4 2 0 -1.02591423562907 6161278 CCCCN1C(=O)/C(=C\C2=NC3=CC=CC=C3N2)/C(=O)NC1=O 1 2.321 4 3 0 -2.91830909680509 6161247 CC1CC(N2C3=C(C=CC=C13)/C(=N/NC(=S)N)/C2=O)(C)C 1 2.451 4 1 -5.55640666655711 6161227 CC1=CC=C(S1)/C=C(\C#N)/C(=O)C2=CC=CC=C2 1 3.639 1 1 -7.4643309920265 6161163 CC(=O)N1C(CC(=N1)C2=CC=CC=C2OC(=O)/C=C/C3=CC=CC=C3)C4=CC=C(C=C4)OC 1 4.635 2 4 -7.32537121362132 6160947 CC1=C[N+](=CC=C1)/C(=C(\C2=CC=CC=C2Cl)/[O-])/C(=S)NCC3=CC=CO3 1 4.16 2 2 -5.83401514390333 6160946 C1=CC=C\2C(=C1)C(=N/C2=N\NC3=NC(=CS3)C4=CC=C(C=C4)Cl)N 1 3.541 5 0 6.01331630172704 6160781 C1=CC=C(C=C1)C(CN/C=C/2\C=CC=CC2=O)O 1 1.317 1 2 0 -4.97837819689488 6160742 C1=CSC(=C1)/C=C/C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C#N 1 3.858 3 1 -3.55766965974073 6160690 CN(C)CCC1=CNC2=C1C=C(C=C2)/C=C/C(=O)NCC3=CC=C(C=C3)OC 1 3.761 3 2 -7.02744957853324 6160425 CC(C)C(C(=O)NCC1=CC=C(C=C1)F)NS(=O)(=O)/C=C/C2=CC=CC=C2 1 2.859 2 3 -9.1261290026791 6159932 C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(C=C2)/C=C/C3=CC(=CC=C3)Br 1 5.073 2 2 2.88648015219846 6159715 CCCNC(=O)/C=C/C1=CC=C(C=C1)C(C)C 1 3.572 1 1 -7.9103155941826 6159785 CC(=C1C=CC(=O)C=C1)NN2C(=CSC2=NCCOC)C3=CC4=C(C=C3)OCC(=O)N4 1 1.152 4 4 0 -5.26759718559365 6159639 CN(C)N/C=C/1\C=C(C=CC1=O)[N+](=O)[O-] 1 -0.371 3 3 0 -2.6127408887056 6159620 CN1/C(=C\C2=C(C=C(C=C2)OC)OC)/C(=O)N(C1=S)CC3CCCO3 1 2.898 2 4 -9.54764737902037 6159604 C1C/C(=C/C2=CC=NC=C2)/C(=O)C3=CC=CC=C31 1 3.112 1 1 2.59619903212936 6159051 C1=CC2=NC(=O)C(=C2C=C1[N+](=O)[O-])NNC(=O)N 1 -1.017 5 4 0 -6.21380380004657 6159011 C1CS(=O)(=O)CC1N(CC2=CC=CS2)C(=O)/C=C/C3=CC=C(C=C3)Cl 1 3.207 1 3 -11.6601490895563 6158954 CCOC(=O)C1=C(S/C(=C\C2=CN(C3=CC=CC=C32)CC(=O)NCC4CCCO4)/C1=O)NC5=CC=C(C=C5)C 1 4.744 3 5 0 -18.3571834932921 6158941 CC1=C(C(=NN1)C)CCC(=O)NN/C=C/2\C(=NC3=CC=CC=C32)C 1 1.125 5 1 0 -9.29114084365744 6158928 CCC1CCCCN1C(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 3.298 1 3 -7.12375194144427 6158330 C1=CC(=CC(=C1)Cl)/C=C/C(=O)OCC2=CN3C=C(C=CC3=N2)Cl 1 4.021 2 2 -3.1273142730259 6158320 C1=COC(=C1)C(=O)NCC(=O)NN/C=C/2\C=C(C=CC2=O)Br 1 -8.6e-002 3 4 0 -11.2721851100397 6158261 CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O 1 3.735 0 4 -8.99941126793856 6158245 CC1=CC=C(O1)/C=C/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OCC(F)(F)F 1 4.104 2 5 0 -19.9443361911864 6158210 C1COC2=C(O1)C=CC(=C2)C(=O)NCC(=O)NNC3=C4C=CC=CC4=NC3=O 1 -3.9e-002 4 5 0 -17.7865525308029 6157944 C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)/NC2=O)F 1 3.928 2 5 0 -6.38838053423264 6157702 CC(C)C1=CC2=C(C(=O)N=C2C=C1)NNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 2.304 4 4 0 -19.993899201641 6157661 C1CN(CCN1C2=CC=CC=C2)C(=O)/C=C/C(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 2.526 3 4 0 -9.3455772265476 6157650 CC1=CC=CN2C1=NC(=C2/C(=C\3/C(N(C(=O)C3=O)CCCN(C)C)C4=CC=C(O4)C)/O)C 1 1.949 4 4 0 -12.571796513865 6157225 CN1C(=CC=C1)/C=C\2/C(=O)/C(=C/C3=CC=CN3C)/CCC2 1 4.319 2 1 -1.78510253680978 6156965 C1=CC=C2C(=C1)C(=CS2)CNC(=O)/C=C/C(=O)O 1 2.062 1 3 -6.62508659148106 6156913 CC1=C(C=NN1C)/C=C/C(=O)C2=CC=C(C=C2)C(C)C 1 3.691 2 1 2.50660342649753 6156882 COC1=CC=C(C=C1)C(C2=CC(=C(C=C2)OC)OC)NC(=O)/C=C/C3=CC=CO3 1 4.047 1 5 -11.3092076550548 6156863 CCOC1=CC=CC=C1N/C(=N\S(=O)(=O)C2=CC=C(C=C2)C)/NC3=NC(=CC(=N3)C)C 1 4.06 5 3 0 -12.6600131898992 6156842 C1CC(OC1)CNC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C5=CC(=CC=C5)Br 1 4.863 3 2 -3.13744751634983 6156808 CCCN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)/C=C/C3=CC=C(C=C3)OC)/C1=O 1 2.354 4 4 0 -12.060280200524 6156746 C1=CC(=O)C=CC1=CNNC(=O)CC(=O)NNC=C2C=CC(=O)C=C2 1 -1.3 4 4 0 -2.74723916025728 6156578 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C/3\C(=O)N(C(=O)N3)C4=CC=CC=C4 1 2.535 4 2 -6.42042583414609 6156419 CC(C)(C)C1=NN=C(N(C1=O)N)NN/C=C/2\C=CC=CC2=O 1 0.369 6 2 0 -4.66184474136028 6156394 CC1=CC=C(C=C1)/C=C/C(=O)C2=C(N(C3(CC2C4=CC=CC=C4O3)C)C)O 1 4.565 1 3 -4.93859557357569 6156214 C1=CC=C(C(=C1)C(=O)/C=C/C2=COC=C2)O 1 2.563 0 3 2.7824287129696e-002 6156105 C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N2CC(=O)NC4=CC=C(C=C4)F 1 4.786 3 1 1.18086101639858 6156017 COC1=C(C=C(C=C1)CNC(=O)/C=C/C2=CC=CO2)OC 1 2.451 1 4 -10.7188206288425 6155760 CCCOC1=CC(=O)/C(=C/NNC2=CC=CC=C2[N+](=O)[O-])/C=C1 1 2.227 3 4 0 -2.48750012085104 6155590 CC1=CC=C(C=C1)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=CC5=C(C=C4)OCO5 1 3.98 2 4 -6.38553154702802 6155430 CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)OC)C4=CN=CC=C4)/O 1 3.272 2 4 -5.31543646743603 6155246 CCNC(=O)CSC1=N/C(=C\C2=CC(=C(C=C2)O)OCC)/C(=O)N1C3=CC=C(C=C3)OC(F)F 1 4.289 3 5 0 -18.7158495280506 6155207 C1=CC=C(C(=C1)C(=O)NCC(=O)NN/C=C/2\C=C(C=C(C2=O)Br)[N+](=O)[O-])Br 1 1.009 4 5 0 -10.1027407337835 6155161 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])O 1 2.425 2 7 0 -5.86537813035834 6155001 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2/C=C/C4=CC=CO4 1 5.409 2 1 3.67481011361933 6154133 CC\1=NC2=CC=CC=C2/C1=N/NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC 1 3.023 3 4 0 -9.99439351282693 6154247 CCCC(=O)NC1=NN=C(S1)/C=C/C2=CC=C(C=C2)OC 1 2.923 3 2 -11.4732073772868 6154132 C1=CC=C(C(=C1)C2=N/C(=C\NC3=CC=CC=N3)/C(=O)O2)Br 1 2.791 3 2 -5.68170643264235 6154050 COC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=NC=C4)/O 1 1.098 3 5 0 -9.32078694243051 6153955 CCOC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2CCS(=O)(=O)C2)OCC3=CC=CC=C3 1 2.62 1 7 0 -20.054019725734 6153896 C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=S)S2)CCC(=O)OCC(=O)NC3=C(C=CC(=C3)F)F 1 4.517 2 4 -9.43083669080062 6153615 CCCCCCCCNC(=O)/C(=C/C1=CC=C(C=C1)SC)/C#N 1 5.04 2 1 -13.0155180890049 6153522 C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)NN/C=C/3\C=C(C=CC3=O)Br 1 0.287 3 5 0 -13.752661343534 6153294 CC\1=NN(C(=O)/C1=C\NNC(=O)C(C)C)C2=CC=CC=C2 1 0.748 4 2 0 -8.23148012822609 6153151 C1CCN(CC1)/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3 1 2.252 2 2 -7.77765008478147 6153157 C1=CC(=O)C=CC1=CNNC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 -0.187 3 3 0 -5.1072806849063 6153030 CN(CCC#N)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=CC=N2 1 3.074 4 0 -9.97936793398283 6153004 C1COC2=C(O1)C=CC(=C2)N/C=C/3\C=C(C=C(C3=O)Br)Br 1 2.79 1 3 -5.79786341386097 6152978 CCCOC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=N3 1 3.585 3 2 -2.35776584974888 6152593 CC(C)C1=CC2=C(C(=O)N=C2C=C1)NNC(=S)NCCC3=CC=CC=C3 1 3.723 4 1 -9.48007852486181 6152767 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N/N=C\3/C4=CC=CC=C4N(C3=O)CC(=O)O 1 1.669 6 4 0 -21.3450631151576 6152546 CC1=C(C=C(N1C)C#N)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2 1 3.546 3 2 -3.91159681793323 6152352 COC1=C(C=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)O)O 1 2.573 2 5 0 -3.62539251788311 6151917 C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1OC2=CC=CC=C2)/N 1 2.367 2 4 -10.7495538297454 6151899 C1=CC(=CC(=C1)OC(F)F)NC(=O)/C=C/C2=C(C=CC(=C2)[N+](=O)[O-])OC(F)F 1 4.587 2 5 0 -3.82424579902021 6151801 CC1=CC=C(C=C1)C2=N/C(=C\C3=COC4=CC=CC=C4C3=O)/C(=O)O2 1 3.317 1 4 -5.37832904387593 6151566 CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=C2C=CC(=O)C=C2)C 1 2.38 3 2 -8.61246110259775 6151547 C1COCCN1CCN2C(/C(=C(\C3=CC=C(C=C3)Cl)/O)/C(=O)C2=O)C4=CN=CC=C4 1 1.716 3 4 0 -7.54785241119305 6151398 CC(=C1C(=O)N(C(=O)N(C1=O)C)C)NCC2=CC(=CC(=C2)OC)OC 1 0.827 3 5 0 -13.6717738709975 6151258 COC(=O)/C=C/C1=CC=C(C=C1)N2C=NC=N2 1 1.695 3 2 0 -6.37612523886144 6151264 CCOC(=O)CC1=CSC(=N1)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4C(F)(F)F 1 3.861 3 4 0 -11.1080957161523 6151198 CCC(C)N1C(=O)/C(=C\C2=CC=C(O2)SC3=NC4=CC=CC=C4N3)/SC1=O 1 5.093 3 3 -0.466738954905908 6151197 C1=C/C(=C\NNC2=C(C(=C(C(=C2F)F)F)F)F)/C(=O)C(=C1)Br 1 3.252 2 1 0.37171983316879 6151166 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)OC 1 2.477 3 6 0 -22.6026948494773 6151097 CSC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCC2CCCO2 1 2.113 1 4 -11.7996045464569 6151020 COC1=CC=CC=C1NC(=O)/C=C/C(=O)N 1 0.549 2 3 0 -5.83319711286088 6150952 CC1=CC=C(C=C1)C(=O)N/C(=C\Cl)/P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 5.492 1 2 -7.20672999631896 6150682 CC1=CC(=C(C=C1)C)OC2=N/C(=C/3\C=CC=C(C3=O)OC)/NC4=CC=CC=C42 1 4.88 2 3 -1.87459384980325 6150647 COC1=CC(=CNNC2=NC3=CC=CC=C3N2)C=C(C1=O)OC 1 0.568 4 3 0 5.14612183166565 6150569 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NC3CCS(=O)(=O)C3)OC4=CC=C(C=C4)F 1 1.637 4 5 0 -23.943892138857 6150293 CC1=CC2=C(C(=O)N=C2C(=C1)C)NNC(=O)C3=CC4=C(S3)CCCC4 1 3.345 3 2 -11.350961100876 6150224 C1=CC=C2C(=C1)C=CC(=N2)/C=C/C(=O)C3=C(C=CC(=C3)Br)O 1 4.823 1 2 8.25648625648807 6150219 CCC(=C1C(=O)NC(=O)NC1=O)NNC2=CC=CC3=CC=CC=C32 1 1.824 4 3 0 -7.72133058661087 6150155 C1=CC=C(C=C1)/C=C/C=C/2\C(=O)OC(=N2)/C=C/C3=CC=CC=C3 1 4.248 1 2 2.94344507459317 6149939 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NN/C=C/2\C=CC=CC2=O 1 0.255 3 4 0 -11.3215399130981 6149934 COC1=CC(=CNNC2=C(C=C(C=C2)F)F)C=C(C1=O)OC 1 1.559 2 3 0 3.98855091215384 6149927 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)OCC#N 1 1.651 1 4 0 -6.90524594094585 6149877 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC 1 3.01 2 7 0 -14.7191873080366 6149758 COC1=CC=CC(=C1)C2/C(=C(\C3=CC4=C(C=C3)OCO4)/O)/C(=O)C(=O)N2CCN5CCOCC5 1 1.954 2 7 0 -11.1347291474786 6149745 CC1=C(/C(=C(/CC2=NC3=CC=CC=C3C=C2)\NO)/C=CC1=O)O 1 2.286 2 3 2.00886649404978 6149723 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)NC(=O)/C(=C/C3=CC=C(C=C3)OC)/C#N 1 3.799 4 4 0 -22.9568587123754 6149585 C1C(OC2=CC=CC=C2O1)C(=O)NNC3=C4C=C(C=CC4=NC3=O)F 1 0.798 3 4 0 -3.82026710546688 6149203 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)/C=C/C3=CC=CO3 1 1.761 3 5 0 -18.119649691856 6149177 C1=CC(=CC=C1C(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])O 1 4.018 1 4 2.68605749105019 6149116 C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(O2)[N+](=O)[O-])Cl 1 3.78 1 4 4.99029387156131 6149002 C1=CC=C(C=C1)/C=C(/C(=O)NC(CC(=O)O)C2=CC=CC=C2)\NC(=O)C3=CC=CC=C3 1 3.336 2 4 -22.0108727288301 6148845 CN(C)N1C(=O)/C(=C/C2=CC=CC=C2Cl)/N=C1SC 1 2.787 3 1 -4.81809468311653 6148812 CC1=CC(=O)/C(=C/NNC(=O)C2=C(ON=C2C3=CC=CC=C3)C)/C=C1 1 1.999 3 3 0 -9.00614233823502 6148558 C1=CC(=CC=C1CCNC(=O)/C=C/C(=O)O)Cl 1 2.186 1 3 -4.50243492965923 6148544 CSC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2CCS(=O)(=O)C2 1 1.262 1 5 0 -12.3780613114277 6148478 C1CC(OC1)CN(C2CC(=O)N(C2=O)C3=C(C=CC=C3Cl)Cl)C(=O)/C=C/C(=O)O 1 2.206 2 6 0 -10.3661847209776 6148417 COC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)C5CCS(=O)(=O)C5)/C2=O 1 2.295 3 6 0 -18.7661828038162 6148190 CCC(=O)NC1=NN=C(S1)/C=C/C2=CC=CC=C2 1 2.484 3 1 -5.80989085057951 6148173 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/NC2=O 1 2.862 4 5 0 -7.84165873618253 6147995 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NC2=CC=C(C=C2)C(=O)O 1 1.695 3 5 0 -13.5054183915472 6147886 C1=CC(=CC(=C1)Cl)NC(=O)C2=C/C(=N\NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)/C=CC2=O 1 4.515 4 4 0 -4.66763193433399 6147992 CCCOC1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4 1 4.178 6 2 0 0.547147185761412 6147941 CC1=CC=C(C=C1)SCC(=O)O/N=C(/C2=CC=C(C=C2)[N+](=O)[O-])\N 1 3.161 3 4 0 0.120053221045833 6147798 CC(C(=O)O)OC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)OC)S2)CCC4=CNC5=CC=CC=C54)OC 1 6.1 3 6 0 -13.9153464782882 6147623 CN(C)C1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-] 1 3.544 2 5 0 -4.90431400224062 6147325 CCO/C(=C/1\CCN(C(=O)C1=O)CC2=CC=CC=C2)/O 1 1.934 1 4 0 -4.65146556192828 6147159 COC1=CC=C(C=C1)/C=C/C(=O)NC2CCS(=O)(=O)C2 1 0.997 1 4 0 -13.8678955497605 6146932 C1=CC(=CC=C1N/C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])/N2C=NC=N2)F 1 3.471 5 2 0 1.39350248582472 6146739 CC1=C(SC=N1)C(=O)N2C(C3CCC/C(=C\C4=CC(=C(C=C4)OC)OC)/C3=N2)C5=CC(=C(C=C5)OC)OC 1 4.831 3 5 0 -21.4930699924782 6146862 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)/C=C(\C#N)/C5=NC6=CC=CC=C6N5 1 6.345 5 1 14.268080954085 6146732 COC1=C(C=C(C=C1)NC(=O)/C=C/C(=O)O)Cl 1 1.841 1 4 0 -4.99930037457618 6146593 CC1CN(CC(O1)C)C(=O)COC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N 1 1.684 2 5 0 -16.9328871947523 6146295 COCCN=C1N(C(=CS1)C2=CC=CS2)N/C=C/3\C=CC(=O)C(=C3O)O 1 0.727 3 4 0 -8.99191945959518 6146635 CC1=C(C(=CC=C1)NC(=S)N/N=C\2/C3=CC=CC=C3N(C2=O)CN4CCOCC4)C 1 4.154 5 2 0 -6.19288037883541 6146621 C1=CC=C2C(=C1)C=NN=C2NNC=C3C=C(C(=O)C(=C3)Br)Br 1 1.869 4 1 0 4.85055085348853 6145722 CC(C(=O)O)N1C(=O)/C(=C/C2=CC=CN2C)/SC1=S 1 2.603 2 3 -11.2321293802206 6145719 CC1=C(C=C2C(=N1)N=C(N2)SCC(=O)NC3=CC(=CC=C3)F)Br 1 3.346 4 1 -6.12844499339635 6145649 C1COCCN1CCCNC2=C(N=C(O2)/C=C/C3=CC=CC=C3)C#N 1 2.249 4 2 -4.9312302345572 6145648 CCN=C1N(C(=CS1)C2=CC=CS2)N/C=C/3\C=C(C=CC3=O)OC 1 1.97 3 2 0 -7.07388666612175 6145435 C1=CC=C(C=C1)NC(=S)/C(=C(/C2=CC(=CC=C2)[N+](=O)[O-])\[O-])/[N+]3=CC=CC=C3 1 3.992 3 3 -5.61387998611317 6144865 CC(C)(CC1=CC=C(C=C1)O)NC(=O)CC(=O)NNC2=C3C=C(C=CC3=NC2=O)Br 1 1.538 4 4 0 -7.33335090338394 6144739 CC(C1=CC=CC=C1)NS(=O)(=O)/C=C/C2=CC=CC=C2 1 2.644 1 2 0.606922526808268 6144717 CC1C2=CC(=C(C=C2CCN1C(=O)/C=C/C3=CC=CC=C3OC)OC)OC 1 3.698 1 4 -12.8098693772888 6144571 CCCCC(=O)NN/C=C/1\C(=O)NC(=S)N(C1=O)CC 1 0.482 4 3 0 -9.79830120383243 6144259 CC1CCCC(C1C)NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 3.41 1 5 -11.0628834321613 6144007 C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)/C(=C/C4=CC=C(C=C4)C(=O)O)/C#N 1 3.599 3 3 -22.2985375787842 6143856 C1CN(C2=CC=CC=C21)/C=C/C(=O)C(F)(F)Cl 1 3.082 1 1 -2.24783323153507 6143815 CCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)C2=C(NC3=CC=CC=C32)C)OC 1 4.296 2 3 -8.20288184890753 6143585 CCN=C1N(C(=CS1)C2=CC=CO2)NC=C3C=CC(=O)C=C3 1 1.723 3 2 0 -1.87152375763571 6143460 CC\1=NC2=CC=CC=C2/C1=C/NNC3=NC(=NC(=N3)NC4=CC=CC=C4)N5CCOCC5 1 1.712 8 1 0 -2.14324851441661 6143250 CCOC(=O)/C(=C/C1=CC=C(C=C1)N2CCC(=N2)C3=CC=CC=C3)/C(=O)C 1 3.931 2 3 1.99111282186715 6143063 CC1=CC(=CC=C1)CN2C=CC=C2/C=C\3/C(=N)N4C=CSC4=NC3=O 1 3.472 4 1 -13.5367719548299 6142767 CC1=CC=CC=C1NC(=S)NNC(=C2C=CC(=O)C=C2)C 1 3.409 3 1 -4.63745524641708 6142865 CC1=CC=CC(=C1)/C=C/2\CS/C(=C\C3=CC(=CC=C3)C)/C2=O 1 5.092 0 1 -0.130558145758878 6142853 CCOC1=CC2=C(C=C1)S/C(=C\NCC=C)/C2=O 1 2.13 1 2 -6.86844459716284 6142841 CC(=O)NC1=CC=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O 1 3.383 1 2 -2.29674062011662 6142404 COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O)S(=O)(=O)N3CCOCC3 1 1.203 2 8 0 -15.2147683390569 6142394 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)C 1 3.268 2 3 -16.7384409608579 6142161 C1=CC=NC(=C1)/C(=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])/C#N 1 3.492 3 2 -8.46937530511842 6142146 CC1CCCCC1NC(=O)/C(=C/C2=CC(=C(C=C2)F)F)/C#N 1 3.933 2 1 -13.8457022854795 6141749 C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NCCN3C(=O)/C(=C/C4=CC=CC=C4F)/SC3=O 1 3.025 3 4 0 -17.6847542143852 6141748 C1=C/C(=C\NNC(=O)CCC(=O)NC2=CC=C(C=C2)Br)/C(=O)C=C1 1 1.091 3 3 0 -8.98865327079093 6141741 CCOC(=O)C1=CC=CC=C1N2C(=O)C3C(C4=C(NC(=O)S4)SC3C2=O)/C=C/C5=CC=CC=C5 1 3.955 2 5 0 -4.66235886738997 6141652 COC1=CC=CC(=C1)/C=C/C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.817 1 5 -6.37452410510097 6141604 C1=CC=NC(=C1)N2C(/C(=C(\C3=CC=C(C=C3)Br)/O)/C(=O)C2=O)C4=CC=C(C=C4)F 1 4.295 2 3 -2.97733476665131 6141417 C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC=C(S4)Br)/C#N 1 5.53 3 2 -5.30200242926375 6141365 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NC2=CC=C(C=C2)N(C)C 1 2.227 4 3 0 -13.7395882910647 6141278 C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)/C=C/C4=CC=C(C=C4)Br 1 3.263 4 1 0.801719187191791 6141196 CN(C1=CC=CC=C1)C2=C(C=C(C=C2)/C=C(\CCC(=O)O)/C3=NC4=CC=CC=C4S3)[N+](=O)[O-] 1 6.038 3 4 0 -5.73909563588938 6141098 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC3CCCO3 1 3.389 1 3 -11.7616455346566 6140828 CC1=CC(=C(C=C1)CN2CCN(CC2)N/C=C/3\C=C(C=C(C3=O)Br)Br)C 1 3.305 3 1 2.87106225180886 6140761 CCOC(=O)CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)N3CCOCC3 1 1.793 3 4 0 -17.0733722625469 6140735 CN(C)C(=O)CN1C=CC(=C[NH+]=O)C=C1 1 -1.101 3 2 0 -2.40173870764133 6140658 C1=CC=C(C(=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)NCCCN3C=CN=C3)Br 1 1.396 5 2 0 -16.7227011775478 6140537 CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2CC2 1 3.147 2 2 -14.1380600160489 6140510 C1=CC=C2C(=C1)C=C/C(=C/C(=O)C3=CC=NC=C3)/N2 1 2.278 2 1 -0.809890840907749 6139720 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/C#N 1 3.143 3 3 -6.36081097613127 6139654 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)N3C(=CN=N3)C4=CC(=C(C=C4)OC)OC)OC 1 4.585 4 5 0 -10.0691817966263 6139547 C1CN(CCC1C(=O)NCCN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=O)S(=O)(=O)C4=CC=CS4 1 2.38 3 5 0 -20.7512307644278 6139100 C1=CC(=CC(=C1)Cl)CNC(=O)/C(=C/C2=CC=C(C=C2)O)/C#N 1 3.35 2 2 -7.47444300947031 6139067 CC1=C(OC2=C1C=C(C=C2)F)C(=O)/C=C/C3=CC=C(C=C3)OC 1 4.972 0 3 11.0141943425023 6139037 C1COCCN1N/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F 1 0.568 4 3 0 -3.99435007153863 6139000 COC1=CC=C/C(=C\NNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)/C1=O 1 1.253 3 5 0 -4.43484447439998 6138982 COC1=CC(=CNNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C=C(C1=O)OC 1 1.901 2 4 0 1.83398448342285 6138887 COC1=CC=CC(=C1OC)/C=C/C(=O)NCC2=CN3C=C(C=CC3=N2)Cl 1 2.676 3 3 -9.55293060541658 6138878 C1COCCN1C(C2=CC=NC=C2)C(=O)NN/C=C/3\C=C(C=CC3=O)Br 1 5.7e-002 4 3 0 -8.79171396046097 6138873 COC1=C/C(=C\NN2CCOCC2)/C(=O)C=C1 1 -0.737 2 3 0 -4.68064031633662 6138305 CN(C)C(=S)NNC1=NC2=CC=CC=C2C1=O 1 1.848 4 1 0 -5.87013782330825 6138126 CC(C)C1=NN2C(=N)/C(=C/C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)OC)/C(=O)N=C2S1 1 4.679 4 5 0 -28.7387817277212 6137956 C/C(=C\1/C=CC=CC1=O)/NN2CCCCC2 1 1.318 2 1 0 -4.48540339210351 6137190 CCN=C1N(C(=O)/C(=C/2\C3=C(C=CC(=C3)Br)NC2=O)/S1)CC 1 2.769 3 2 -8.15249528266696 6133323 COC1=CC(=CC(=C1OC)OC)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCN5CCOCC5 1 1.939 2 9 0 -15.5566515932384 6133265 CCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCN5CCOCC5)OC 1 2.304 2 8 0 -19.2486352901735 6133031 C1COCCN1CCN2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC=CC=C5 1 1.988 2 6 0 -12.6916814480584 6132412 COC1=CC(=C(C=C1)NC(=O)/C(=C/C2=CC=CN2)/C#N)OC 1 2.273 3 3 -13.9479871815547 6132334 COC1=CC(=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)OCCN3CCOCC3)OC)/C#N)OC 1 2.682 3 6 0 -19.8093601336597 6131113 CCN1C2=CC=CC=C2/C(=N/NC(=O)CN3C=CC(=N3)C(F)(F)F)/C1=O 1 2.191 5 2 0 -8.85404886556074 6123792 CC1=[N+](N(C(=O)C1N=C/C=C/C2=CC=CC=C2)C3=CC=CC=C3)C 1 3.141 3 1 6.19882946787076 6122140 C1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=CC=C2)Cl)/C3=NC4=CC=CC=C4N3 1 5.767 2 1 2.77818059668468 6121329 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)/C=C/C3=CC(=CC=C3)OC 1 2.064 2 7 0 -22.3138198351812 6121252 C1COCCN1C2=NN/C(=C(/C#N)\C(=S)NC3=CC=CC=C3)/N2C4=CC=CC=C4 1 3.238 6 1 0 -10.3090508114937 6120479 C1C(C(=O)N(C1=O)CCC(=O)O)N2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/SC2=S 1 2.56 2 5 0 -14.1329186774562 6117388 C1CCN(C1)P(=O)(NC(=O)C2=C(/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/CC2)N4CCOCC4)N5CCCC5 1 1.858 5 5 0 -8.89609455915002 6117038 CC(=C1C=CC(=O)C=C1)NNC(=S)NCCOC 1 0.937 3 2 0 -9.91508684510572 6116971 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC(=O)C3=CC=CO3)C)C 1 3.322 1 4 3.83665799830651 6116726 CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCOC)C3=CC=CC=N3)/O 1 1.902 2 4 0 -5.97737860893776 6116364 CC(C)CC1=CC=C(C=C1)/C=C/C(=O)N2CCCCC2 1 4.279 1 1 -0.913080128258657 6116047 C1=CC(=CC(=C1)Br)C2=NN(C=C2/C=C/C(=O)C3=CC=C(C=C3)Cl)CCC(=O)O 1 5.441 2 3 2.90523326436466 6116079 CC1=CN2C(=C(C(=O)N=C2S1)/C=C/3\C=CC(=O)C(=C3)OC)N 1 0.751 3 3 0 -5.35565377465992 6112125 COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC)F 1 3.616 0 5 2.71604325637881 6111995 C1CC/C(=C(/C(=O)NC2=CC=C(C=C2)F)\[N+](=O)[O-])/NCC1 1 2.055 3 3 -9.3328748270545 6111883 C1=CSC(=C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 3.549 1 3 -4.57436283885591 6111717 C1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3F 1 3.775 2 3 -7.96939967275227 6111690 C1CCN(C1)C(=O)CC2=NN3C(=N)/C(=C/C4=CC=C(O4)Br)/C(=O)N=C3S2 1 2.449 5 3 0 -21.2385281726824 6111629 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 2.364 3 6 0 -20.8948589299628 6111605 COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC 1 1.187 2 9 0 -17.1621139592577 6111476 COC1=CC=C(C=C1)/C=C/C2=NOC(=C2)C(F)(F)F 1 3.916 1 2 0.873546656911515 6111344 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)Cl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l 1 4.037 3 4 0 -9.00366572107411 6110966 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC=C2C=C(C(=O)C(=C2)OC)OC 1 0.197 3 6 0 -14.3402293286247 6110896 C1CCC(=O)C(C1)OC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.932 1 5 -7.30208612737489 6110891 C1COCCN1CCCN2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC=C(C=C5)Cl 1 2.715 2 6 0 -10.1781321051631 6110858 CC1=CC=CN2C1=NC(=C2/C(=C\3/C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC=CS5)/O)C 1 1.987 4 4 0 -16.632024078259 6110811 CC(C)C1=CC2=C(C(=O)N=C2C=C1)NNC(=S)NC(C)C 1 2.544 4 1 -10.9220159961829 6110750 C/C(=C\1/C=CC=CC1=O)/NNC2=NC(=NC(=N2)N3CCOCC3)N4CCCCC4 1 1.016 7 2 0 -4.69796277758459 6110673 C=CCN1C(=O)/C(=C\C=C\NC2=CC=CC=C2)/C(=O)NC1=O 1 1.496 3 3 0 -6.86143020921824 6110648 C1=CC=C(C(=C1)C(=O)O)NN/C=C/2\C=C(C=C(C2=O)Br)Br 1 2.307 2 3 -1.03093226628514 6110527 CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl 1 4.608 2 4 10.0120120055627 6110446 CC(C)CC(=O)NNC1=C2C=CC=CC2=NC1=O 1 0.826 3 2 0 -10.3882366354589 6110411 C1CC(N(C1)C2=NC(=O)/C(=C/C3=CC=CO3)/S2)C(=O)O 1 1.881 2 4 0 -8.37776973039688 6110404 C1CCN(C1)C(=O)/C=C\2/C(=O)NC3=CC=CC=C3S2 1 1.431 2 2 0 -5.83290281296219 6110144 C1=CC=C(C=C1)C\2=NNC(=O)/C2=C\NC3=CC=C(C=C3)OC(F)(F)F 1 4.387 3 2 -4.82639497160382 6110289 CC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C(=O)C=CC=C2)O)C 1 3.536 0 3 -1.30101246648521 6110232 CC1=CC=C(C=C1)NC(=O)CCC(=O)NN/C=C/2\C=CC=C(C2=O)CC=C 1 1.797 3 3 0 -12.1071581954012 6109727 COC1=CC(=C(C=C1)OC)/C=C\2/C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=CC=C3 1 3.55 2 5 0 -8.26607571743109 6109696 CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2/C=C/C4=CC=CC=C4)C 1 5.553 3 1 0.221069176293215 6109639 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NNC(=S)NC2=CC=CC=C2 1 1.852 5 3 0 -13.3522005763424 6109309 CC(C1=CC=CC=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])/C#N 1 3.864 3 3 -13.9057645094394 6109270 CC1=CC=C(C=C1)C(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)Cl 1 5.156 2 1 3.69575791117911 6109222 CC1CCC/C(=C\NC2=CC=C(C=C2)C(=O)O)/C1=O 1 2.659 1 3 -5.02550584425749 6109171 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)N)Cl)C2CCS(=O)(=O)C2 1 -9.4e-002 3 5 0 -15.3678180577503 6109038 C1CS(=O)(=O)CC1N/N=C\2/C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4 1 1.736 3 3 0 -6.67047737138617 6108933 COC1=CC=CC(=C1)N/N=C/2\C=CC(=O)C3=C2C=CC=N3 1 2.878 3 2 0.752432134255888 6108852 COC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 2.585 2 8 0 -12.6317126868943 6108879 C1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)C4=CC=CC=C4 1 4.702 3 3 0.742245621023814 6108700 C1CN=C(SC1)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=CC=C3 1 4.165 2 1 -6.94449072921613 6108189 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3/C(=C/NC4=CC=CC=C4C(=O)O)/C2=O 1 3.171 3 6 0 -20.1663655565889 6107892 C1C/C(=C\C2=C(C=CC=C2F)F)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O 1 5.489 1 2 -0.884516723818562 6107794 CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=C(C=C(C=C5)OC)OC)/O 1 3.212 2 6 0 -8.31721743306673 6107778 CC1=CC=C(C=C1)/C=C/2\CCC(C2=O)C3CCCC3 1 4.967 0 1 -1.34953518284651 6107603 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)/C=C/C3=CC(=CC=C3)F)C)C 1 5.234 2 3 -6.46312771538816 6107177 CC(=CCC1=C(C=C(C(=C1O)C(=O)/C=C/C2=CC(=C(C=C2)OCOC)OCOC)OCOC)OCOC)C 1 4.656 0 10 0 -7.93820907761721 6107078 C1=CN(C(=C1)/C=C\2/C(=N)N3C=CSC3=NC2=O)CC4=CC=C(C=C4)F 1 3.192 4 1 -13.5341455026333 6106925 C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)N2)CCCN3C=CN=C3)C#N 1 1.719 5 1 0 -2.40016400737722 6106399 C1=CC(=CC=C1C(=O)NCC(=O)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])Br 1 0.666 5 5 0 -12.7837777223219 6106331 CCCCNC(=S)NNC1=C2C=CC=CC2=NC1=O 1 1.992 4 1 0 -13.2376823378434 6106203 CC1=C(N2C=CC=CC2=N1)C(=O)NNC3=C4C=CC=CC4=NC3=O 1 0.567 5 2 0 -7.32546374996058 6106100 CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NNC(=O)/C=C/C(=O)O 1 2.661 2 4 -11.644112398392 6105983 CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NCC=C 1 1.044 5 3 0 -28.8782015768236 6105888 CC1=CC(=NC2=C(C=NN12)C(=O)NN/C=C/3\C=CC(=O)C(=C3)OC)C4=CC=CC=C4 1 1.197 5 3 0 -8.81320601015593 6105854 C1C(=O)N(/C(=C/[N+](=O)[O-])/S1)C2=CC=C(C=C2)OC(F)(F)F 1 3.697 2 4 0.880718049555519 6105648 CC(=C1C=CC(=O)C=C1)NNC(=O)C2=C(N(N=N2)C3=NON=C3N)COC4=CC=CC=C4 1 1.489 8 4 0 -22.2704198681448 6105451 CCC(C)N1C(=O)/C(=C/C2=C(N=C3C=CC(=CN3C2=O)C)N4CCNC(=O)C4CC(=O)OCC)/SC1=S 1 2.701 5 5 0 -34.2875219586581 6105344 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NCCC2=CCCCC2 1 2.538 3 3 -16.888203337248 6105300 CC1=CC(=C(C=C1)NC(=O)/C(=C/C2=C(N(C(=C2)C)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C)/C#N)C 1 4.805 5 4 0 -19.7160905266669 6105232 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC 1 1.854 2 6 0 -23.5668606859492 6105182 CNC(=O)/C(=C/C1=C(C=CC=C1Cl)F)/C#N 1 2.214 2 1 -12.3214217787725 6105143 COC1=CC(=C(C=C1)/C=C\2/C(=O)/C(=C/C3=C(C=C(C=C3)OC)OC)/CN(C2)CC4=CC=CC=C4)OC 1 5.425 1 5 2.85876593798808 6105087 CC1=NN=C(S1)SCC(=O)NNC=C2C=C(C(=O)C(=C2)Cl)Cl 1 0.872 4 2 0 -13.4485318237162 6104993 CC(C)(C)CC(C)(C)NC(=O)/C=C/C(=O)O 1 1.986 1 3 0 -9.98108907618806 6104810 CC1=CC=C(C=C1)/C=C/C2=NN=C(O2)C3=CC=CS3 1 3.961 2 1 -1.4192032677505 6104909 C1CCN(C(C1)CO)C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.672 2 3 -1.83791602809349 6104753 CCCCOC(=O)NC1=NN=C(S1)/C=C/C2=CC=C(C=C2)OC 1 3.772 3 3 -7.04837681481533 6104747 C/C(=C\C(=O)C(F)(F)F)/NC1=CC=C(C=C1)C(F)(F)F 1 3.913 1 1 0.445154008420486 6104612 CCC(=C1C(=O)N(C(=O)N(C1=O)C)C)NCC2=CC=CO2 1 0.565 3 4 0 -13.0767739043989 6104597 CC1=C(SC(=C1C#N)N)C(=O)NN/C=C/2\C=CC(=O)C(=C2)OC 1 0.391 4 3 0 -3.29975243398838 6104566 C/C(=C/1\C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)/NCC3=CC=CO3 1 2.077 3 4 0 -7.1158704197693 6104407 CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl 1 2.997 2 1 -1.06852059722181 6104225 C1=CC=C2C(=C1)N=C(S2)NN/C=C/3\C=C(C=C(C3=O)[N+](=O)[O-])Cl 1 1.871 4 3 0 3.18085946255714 6104167 C1=CC(=CC(=C1)N2C=CC=C2/C=C/3\C(=O)N(C(=O)N3)C4=CC=C(C=C4)Cl)C(=O)O 1 3.981 3 4 0 -0.985776591181137 6104113 CC\1=NN(C(=O)/C1=C\C2=CN(N=C2C3=CC=C(C=C3)Cl)CCC#N)C4=CC=CC=C4 1 4.274 5 1 -1.66818167039914 6103719 CC1=NC(=CC=C1)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5 1 3.172 3 4 0 -2.80500083562779 6103449 CCN1/C(=C/2\C(=O)N(C(=S)N2C3=CC=CC=C3)C)/C=CC4=CC=CC=C41 1 4.674 3 1 -1.68788713962918 6103428 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.351 2 6 0 -19.3356592741295 6103405 C1=CC=C(C=C1)CN2C(=O)C3=C4C(=C(C=C3)O)C=CC=C4C2=O 1 3.112 1 3 4.37468552943912 6103271 COC1=CC=CC=C1NC(=O)/C(=C/C2=CN=CC=C2)/C#N 1 1.754 3 2 0 -15.3929187607968 6103255 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OC(F)F)OC 1 1.715 1 7 0 -17.6454370356653 6103207 COC1=CC=C(C=C1)N2C(=O)/C(=C\NCC3=CC4=C(C=C3)OCO4)/C(=O)NC2=O 1 1.468 3 6 0 -7.83963285742469 6102954 CC(C)(C)NC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2 1 0.617 4 4 0 -13.6897612491727 6102878 C1CCC2=N/C(=C\C3=CC=NC=C3)/C(=O)N2CC1 1 1.224 3 1 0 -8.64631539117346 6102865 CCOC1=CC=C/C(=C\NNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4)/C1=O 1 1.1 5 6 0 -20.9654232820934 6102040 C1=CC=C(C=C1)N2/C(=C\3/C=NC4=C3C=C(C=C4)Cl)/N=NN2 1 4.466 5 0 0.865183050561432 6101829 CN(C)CCC[C@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F 1 3.721 2 1 -8.72334260067482e-002 6101576 CC(=C)COC1=CC(=O)/C(=C\2/C(=CNN2)C3=CC=C(C=C3)Br)/C=C1 1 2.578 2 2 -4.67049771051992 6101571 C1=CC=C2C(=C1)NC3=NC(=C(C(N23)C4=CC=C(C=C4)F)C#N)N 1 2.35 5 0 -9.29971287450247 6101516 CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CNN4C3=NC(CC4C(F)(F)F)C5=CC=CC=C5 1 4.354 4 3 0 -15.7665766484363 6101193 CC1=CC=CC=[N+]1CC(=O)C2=CC3=C(C=C2)OCCO3.[Br-] Br- 1 2.621 1 3 -6.75404695605461 6101121 CC1=C(C(N=C2N1C3=CC=CC=C3N2)C4=CC=C(C=C4)OC)C(=O)NC 1 2.19 4 2 -12.0090618799521 6101110 CC1=CC2=NC(SN2N1)NC3=CC=CC4=CC=CC=C43 1 3.245 4 0 -1.6617523094983 6101048 CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CC=C(C=C3)F)C(=O)N 1 -2.6e-002 5 2 0 -9.22674624727324 6100971 COC1=CC(=C(C=C1)OC)C2C3=C(CCCC3=O)N=C4N2NN=N4 1 2.373 5 3 0 -14.6012558366752 6100907 COC1=CC=C(C=C1)C2C/C(=C\3/C=CC=CC3=O)/NN2C4=CC=CC=C4 1 3.619 2 2 -2.13929099249545 6100767 C1/C(=C\2/C=CC=CC2=O)/NOC1(C(F)F)O 1 0.41 1 3 0 -5.27657051960867 6100640 CCCCNC(=O)CSC1=NN/C(=C/2\C=NC3=CC=CC=C32)/N1CC4CCCO4 1 2.862 5 2 0 -28.0875066920174 6100575 COC1=CC(=C(C=C1)OC)C2C/C(=C/3\C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)/NN2S(=O)(=O)C 1 3.118 3 5 0 -8.1130437221586 6100561 COC1=CC(=O)/C(=C\2/C=C(NN2)C3=CC=C(C=C3)Cl)/C=C1 1 1.7 2 2 0 1.28427345538369 6100511 CC1=CC(=CC(=C1)NC(=O)OCCN2CCN(CCC2=O)CC3=CC=CC=C3)C 1 3.62 3 3 -10.8695856102867 6100507 CC1=C(C=C(C=C1)NC(=O)OCCN2CCN(CCC2=O)CC3=CC=CC=C3)C 1 3.62 3 3 -10.7287364260967 6100492 C1CN(CCN(C1=O)CCOC(=O)NC2=CC=C(C=C2)F)CC3=CC=CC=C3 1 2.853 3 3 -9.76894458599136 6100468 C1CN(CCN(C1=O)CCOC(=O)NC2=CC(=CC=C2)Cl)CC3=CC=CC=C3 1 3.312 3 3 -7.82934658127595 6100461 CC1=CC=CC=C1NC(=O)OCCN2CCN(CCC2=O)CC3=CC=CC=C3 1 3.134 3 3 -14.2296728577921 6100460 CC1=CC=C(C=C1)NC(=O)OCCN2CCN(CCC2=O)CC3=CC=CC=C3 1 3.134 3 3 -10.4808216114566 6100392 C\1C(NN/C1=C/2\C=C(C=CC2=O)Cl)C3=CC=CS3 1 1.554 2 1 0 -5.15179404614806 6100380 CCN1/C(=C\2/C=NC3=CC=CC=C32)/NN=C1SCC(=O)NC4CCCC4 1 2.926 5 1 -18.2847068303592 6100349 C1CN(CCN(C1=O)CCOC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3 1 2.648 3 3 -10.9305072118782 6100326 CO/C(=C\1/C(=O)C2=NN(C(=O)C=C2S1)C3=CC=CC(=C3)C(F)(F)F)/O 1 2.582 2 4 1.32228128146307 6100308 COC1=C(C=C(C=C1)NC(=O)C2=C/C(=C\3/C=CC=CC3=O)/NN2)Cl 1 1.262 3 3 0 -6.91846381847924 6100305 CC1=C(C=C(C=C1)NC(=O)C2=C/C(=C\3/C=CC=CC3=O)/NN2)Cl 1 1.765 3 2 0 -5.65179310715423 6100293 CC1=C/C(=C\2/C=C(NN2)C(=O)NCC3=CC4=C(C=C3)OCO4)/C(=O)C=C1 1 0.836 3 4 0 -10.9368362899896 6100283 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC(=N4)C)/C(=O)C=C1 1 0.573 6 4 0 -15.3733847982533 6100277 CC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=C/C(=C\5/C=C(C=CC5=O)C)/NN4 1 3.546 3 4 0 -0.915141423778798 6100267 CC1=C/C(=C\2/C=C(NN2)C(=O)NCC3=CC=C(C=C3)OC)/C(=O)C(=C1)C 1 1.498 3 3 0 -8.41673328545398 6100260 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=C(C=CC(=C3)OC)OC)/C(=O)C=C1C 1 1.474 3 4 0 -6.95055438193194 6100247 CC1=CC(=CC=C1)NC(=O)C2=C/C(=C\3/C=C(C=C(C3=O)C)C)/NN2 1 1.993 3 2 0 -3.36586248498697 6100174 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=CN=CC=C3)/C(=O)C(=C1)C 1 0.357 4 2 0 -5.66195558512809 6100165 C1=CC(=CC=C1NC(=O)C2=C/C(=C\3/C=C(C=CC3=O)Cl)/NN2)S(=O)(=O)N 1 -0.312 4 4 0 -10.4197917761024 6100162 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=CN=CC=C3)/C(=O)C=C1C 1 0.357 4 2 0 -4.97629789234105 6100158 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=C(C=C(C=C3)OC)OC)/C(=O)C=C1C 1 1.474 3 4 0 -8.85792226059889 6100141 CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C/C(=C\4/C=C(C=CC4=O)C)/NN3 1 1.787 4 3 0 -20.1933070365914 6100133 CC1=CC=C(C=C1)CNC(=O)C2=C/C(=C\3/C=C(C=C(C3=O)C)C)/NN2 1 2 3 2 0 -8.19206367064364 6100116 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=C(C=CC(=C3)OC)OC)/C(=O)C=C1 1 1.028 3 4 0 -8.87402735117358 6100115 CC1=CC(=O)/C(=C/2\C=C(NN2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=C(C(=NO4)C)C)/C=C1 1 0.896 5 5 0 -12.4503078452714 6100111 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=C(C=CC(=C3)Cl)OC)/C(=O)C=C1 1 1.709 3 3 0 -6.59390631361019 6100104 CC1=C/C(=C\2/C=C(NN2)C(=O)NCC3=CC=C(C=C3)OC)/C(=O)C=C1 1 1.051 3 3 0 -9.65454856190858 6100078 CC1=C/C(=C\2/C=C(NN2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)/C(=O)C(=C1)C 1 1.803 3 4 0 -11.6899304536184 6100062 CC1=C/C(=C\2/C=C(NN2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)/C(=O)C=C1C 1 0.541 4 4 0 -12.2635878571581 6100060 CC1=CC(=CC=C1)NC(=O)C2=C/C(=C\3/C=C(C=CC3=O)C)/NN2 1 1.547 3 2 0 -4.60367776144158 6100020 COC1=CC=CC=C1C2C/C(=C/3\C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)/NN2S(=O)(=O)C 1 3.135 3 4 0 -7.14037746536508 6099992 C\1C(NN/C1=C/2\C=C(C=CC2=O)[N+](=O)[O-])C3=CC=CC=C3F 1 1.287 3 3 0 -3.87549637332729 6099986 C\1C(N(N/C1=C/2\C=CC=CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 3.841 2 1 -1.01444775788606 6099983 C\1C(NN/C1=C/2\C=C(C=CC2=O)Cl)C3=CC=C(C=C3)Cl 1 2.372 2 1 -0.526155686960337 6099971 CC1=CC=C(C=C1)COCC(CC(C)C)N2CCN(CCC2=O)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 5.066 2 3 -9.0157730572628 6099952 CC(C)CC(COCC1=CC=C(C=C1)OC)N2CCN(CCC2=O)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 4.564 2 4 -9.35769631777189 6099904 CC(C)CC(COCC1=CC=C(C=C1)F)N2CCN(CCC2=O)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 4.786 2 3 -8.58266969786038 6099900 COC1=C/C(=C/C(=C\2/NC3=CC=CC=C3S2)/C4=NC5=CC=CC=C5S4)/C=CC1=O 1 5.194 2 2 -0.110355915015375 6099895 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)COCC4=CC=CC=C4 1 5.362 2 3 -7.08553873760044 6099894 CC1=CC(=CC=C1)COCC(CC2=CC=CC=C2)N3CCN(CCC3=O)C(=O)C4=CC(=CC(=C4)Cl)Cl 1 5.777 2 3 -5.92677302098322 6099893 C1CN(CCN(C1=O)C(CC2=CC=CC=C2)COCC3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)Cl)Cl 1 5.291 2 3 -7.72045307503245 6099892 C1CN(CCN(C1=O)C(CC2=CC=CC=C2)COCC3=CC=C(C=C3)Cl)C(=O)C4=CC(=C(C=C4)Cl)Cl 1 5.955 2 3 -5.94677068574572 6099873 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C/C(=C\4/C=CC(=CC4=O)C)/NN3 1 0.621 4 5 0 -22.5893808580949 6099869 CC1=CC(=O)/C(=C/2\C=C(NN2)C(=O)NC3=C(C=C(C=C3)OC)OC)/C=C1 1 1.028 3 4 0 -10.7061980628489 6099810 CCC1=C/C(=C\2/C=C(NN2)C(=O)NC3CCS(=O)(=O)C3)/C(=O)C=C1 1 -0.552 3 4 0 -14.3034536467173 6099806 CCCN1C(C\2=C(C1=O)NN/C2=C\3/C=C(C(=CC3=O)C)Cl)C4=CC(=C(C=C4)O)OC 1 1.999 3 4 0 -7.72886300431201 6099761 CC1=NC2=NC3=C(C(N2N1)C4=CC(=C(C=C4)OC)OC)C(=O)CC(C3)(C)C 1 2.034 4 3 0 -17.5655273229281 6099595 C1CN(CCN(C1=O)C(CC2=CC=CC=C2)COCC3=CC(=CC=C3)C(F)(F)F)C(=O)C4=CC(=C(C=C4)Cl)Cl 1 6.233 2 3 -3.99542221512792 6099555 CC1=CC(=CC=C1)COCC(CC2=CC=CC=C2)N3CCN(CCC3=O)C(=O)C4=CC(=C(C=C4)Cl)Cl 1 5.777 2 3 -6.26680668759268 6099552 CC1=CC(=CC=C1)NC2=NN/C(=C/3\C(=NC4=CC=CC=C43)C)/CS2 1 3.606 4 0 -8.58711256902886 6099539 CC1=CC(=NO1)NC(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C 1 1.89 6 2 0 -24.2196171761151 6099523 C1CN(CCN(C1=O)C(CC2=CC=CC=C2)COCC3=CC(=CC=C3)Cl)C(=O)C4=CC(=C(C=C4)Cl)Cl 1 5.955 2 3 -5.91549275283354 6099520 C1CN(CCN(C1=O)C(CC2=CC=CC=C2)COCC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)Cl 1 5.291 2 3 -8.0604867416419 6099482 CC(C)CC(COCC1=CC=C(C=C1)Cl)N2CCN(CCC2=O)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 5.245 2 3 -7.19377436667598 6099467 CC(C)CC(COCC1=CC(=CC=C1)C(F)(F)F)N2CCN(CCC2=O)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 5.522 2 3 -10.0570459713548 6099378 COC1=C/C(=C/NNC2=CC=CC=C2)/C=CC1=O 1 1.46 2 2 0 2.56781963807147 6099349 C\1C(NN/C1=C/2\C=C(C=C(C2=O)Cl)Cl)C3=CC=C(C=C3)Cl 1 2.741 2 1 1.15614582161471 6099339 CC(C)CC(COCC1=CC(=CC=C1)Cl)N2CCN(CCC2=O)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 5.245 2 3 -7.48886934141843 6099324 CCOC(=O)C1=C(/C(=C\2/CSC(=NN2)NC3=CC=CC=C3)/N=C1C)C 1 2.424 4 2 -13.9887049559787 6099304 CC1=CC=CC(=C1)C(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)COCC4=CC=C(C=C4)Cl 1 5.113 2 3 -6.32544944508897 6099294 CC1=CC=CC(=C1)C(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)COCC4=CC(=CC=C4)C(F)(F)F 1 5.391 2 3 -5.51660288364428 6099282 CC1=CC(=CC=C1)COCC(CC2=CC=CC=C2)N3CCN(CCC3=O)C(=O)C4=CC(=CC=C4)C 1 4.934 2 3 -9.53621793736443 6099257 CC1=CC=CC(=C1)C(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)COCC4=CC(=CC=C4)Cl 1 5.113 2 3 -6.62054441983142 6099256 CC1CCCCN1C2=N/C(=C/3\C=CC=CC3=O)/NC(=C2)C 1 2.156 3 1 -11.5869304685985 6099210 C1C(N2C(=NC1=O)N=CN2)C(=O)NC3=CC=C(C=C3)Cl 1 0.105 5 2 0 -5.55085161391472 6099179 C1=CSC(=C1)C2C=C(N=C3N2NN=N3)C4=CC=C(C=C4)F 1 3.639 5 0 -4.45042420488668 6099148 C1=CC(=CC=C1C\2=C(NN/C2=C\3/C=CC(=CC3=O)OCC(=O)NN)C(F)(F)F)Br 1 1.049 4 3 0 -4.89609328136998 6099141 CC1=C(C(N2C(=N1)N=NN2)C3=CC=CS3)C(=O)OCC=C 1 2.631 5 2 0 -23.6472698747821 6099101 CCC1=C/C(=C/2\C(=CN=C(N2)N)C3=CSC(=N3)C)/C(=O)C=C1OC 1 1.017 4 2 0 -4.27184127049017 6099040 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN/C(=C\4/C=NC5=CC=CC=C54)/N3CCOC 1 3.994 5 4 0 -29.0520851207054 6099025 COCCN1/C(=C\2/C=NC3=CC=CC=C32)/NN=C1SCC(=O)NC4=CC(=C(C=C4)OC)OC 1 2.588 5 4 0 -22.4678353367684 6098974 COC1=CC(=O)/C(=C/2\CC(N(N2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)/C=C1 1 2.525 2 5 0 -8.44491641254496 6098929 COC1=CC(=CC(=C1OC)OC)C2C=C(N=C3N2NC=N3)C4=CC=CS4 1 2.615 4 3 0 -6.72910826977134 6098905 CCN1/C(=C\2/C=NC3=CC=CC=C32)/NN=C1SCC(=O)NCC(=O)OCC 1 1.58 5 3 0 -23.0967831180562 6098884 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CNN4C3=NC(CC4C(F)(F)F)C5=CC=C(C=C5)Br 1 2.298 6 2 0 -14.7369005417262 6098864 CC1=CC=CC(=C1)C(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)COCC4=CC=CC=C4 1 4.448 2 3 -9.25529450250363 6098853 CC1=CC=C(O1)C2C3=C(NN(C3=NC4=C2C(=O)CCC4)C5=CC=CC=N5)C 1 1.947 4 2 0 -15.3602096184829 6098843 COC1=CC=C(C=C1)C2CC(N3C(=N2)N=NN3)C4=CC=CC=C4 1 3.562 5 1 -0.15734844618102 6098809 CC1=CC(=CC=C1)N2C3=NC4=C(C(C3=C(N2)C)C5=CC(=C(C(=C5)OC)O)OC)C(=O)CCC4 1 3.44 3 4 0 -12.0537163453986 6098768 CC1=CC(=CC=C1)COCC(CC2=CC=CC=C2)N3CCN(CCC3=O)C(=O)C4=CC(=CC=C4)Cl 1 5.113 2 3 -5.49292478622236 6098762 COC1=CC=CC(=C1OC)C2C/C(=C/3\C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)/NN2S(=O)(=O)C 1 3.118 3 5 0 -9.34752905859911 6098705 C1CN(CCN(C1=O)C(CC2=CC=CC=C2)COCC3=CC(=CC=C3)Cl)C(=O)C4=CC(=CC=C4)Cl 1 5.291 2 3 -6.93493613457645 6098694 CC1CCC2(CC1)N=C(N=C3N2C4=CC=CC=C4N3)N 1 1.908 5 0 0 -1.83658599065771 6098685 CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CC=C(C=C3)OC)C(=O)N 1 -0.247 5 3 0 -10.3515894818826 6098588 C1CN(CCN(C1=O)C(CC2=CC=CC=C2)COCC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Cl 1 4.626 2 3 -6.96023193261695 6098536 COC1=C/C(=C(/N2CCN(CC2)C3=CC(=CC=C3)Cl)\S)/C=CC1=O 1 3.803 2 2 7.75127196541354 6098531 COC1=C/C(=C(/NC2CCCCC2)\S)/C=CC1=O 1 2.832 1 2 -2.18811592446294 6098526 C1=CC=C2C(=C1)N/C(=C/3\C=C(C=CC3=O)NC(=S)NC(=O)/C=C/C4=CC=CO4)/S2 1 4.294 3 3 -8.19426776657242 6098488 CC1=C(C=C(C=C1)[N+](=O)[O-])C2=C(N/C(=C\3/C=CC(=O)C(=C3)O)/N2)C4=CC=CC=C4 1 3.018 3 4 0 -2.14280556157366 6098416 CC1=CC(=CC=C1)COCC(CC(C)C)N2CCN(CCC2=O)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 5.066 2 3 -7.97669251790835 6098392 COCCN1/C(=C\2/C=NC3=CC=CC=C32)/NN=C1SCC(=O)NCC4=CC=CO4 1 1.809 5 3 0 -23.4324339630618 6098382 CCN1C=C(C(=N1)C(=O)N2C(C/C(=C\3/C=CC(=O)C(=C3)OC)/N2)C4=CC=CC=C4O)[N+](=O)[O-] 1 1.638 5 6 0 -4.5156302096904 6098333 CCN1/C(=C\2/C=NC3=CC=CC=C32)/NN=C1SCC(=O)OC 1 2.171 4 2 -15.9275113307227 6098306 CC(C)CC(COCC1=CC(=CC=C1)Cl)N2CCN(CCC2=O)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 5.245 2 3 -6.80924958163074 6098302 CC1=CC(=CC=C1)COCC(CC(C)C)N2CCN(CCC2=O)C(=O)C3=CC=C(C=C3)C(C)(C)C 1 5.524 2 3 -8.99432525612934 6098301 CC1=CC(=CC=C1)COCC(CC2=CC=CC=C2)N3CCN(CCC3=O)C(=O)C4=CC=C(C=C4)C(F)(F)F 1 5.391 2 3 -4.13438804110859 6098300 COC1=CC=C(C=C1)C(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)CO 1 1.954 2 4 0 -6.88285350555583 6098288 C1CN(CCN(C1=O)C(CC2=CC=CC=C2)CO)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 2.912 2 3 -3.08752935699082 6098275 C1CN(CCN(C1=O)C(CC2=CC=CC=C2)CO)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 2.912 2 3 -2.87412040907939 6098263 CC\1=NC2=CC=CC=C2/C1=C/3\CSC(=NN3)NC4=CC=C(C=C4)F 1 3.325 4 0 -9.86993152756675 6098260 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)CO 1 3.37 2 3 -3.89175314730038 6098257 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(COCC3=CC(=CC=C3)C(F)(F)F)C(C)C 1 4.381 2 4 -18.6550743041342 6098254 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(COCC3=CC=CC(=C3)C)C(C)C 1 3.925 2 4 -21.3910773802701 6098210 C\1C(N(N/C1=C/2\C=CC=CC2=O)C3=CC=CC=C3)C4=CC=CC=C4 1 3.636 2 1 -2.47170992965978 6098163 COC1=C/C(=C(/N2CCN(CC2)C3=CC=CC=C3Cl)\S)/C=C(C1=O)O 1 3.266 2 3 5.16517048963418 6098160 CC1=C(SC=C1)C(=O)NC2=C/C(=C/3\NC4=CC=CC=C4S3)/C(=O)C=C2 1 3.997 2 2 -8.30136956809395 6098142 CC1=CC=CC=C1N2/C(=C/3\C=CC(=CC3=O)OC)/C(=C(N2)C)C4=CSC(=N4)C 1 3.208 3 2 -3.10854243221059 6098140 CC1=NC(=CS1)C\2=C(NN(/C2=C/3\C=CC(=O)C=C3O)C4=CC=CC=C4)C(F)(F)F 1 3.154 3 2 1.07492050614101 6098122 CCOC(=O)C1=C(N/C(=C/2\C=CC=CC2=O)/N=C1)Cl 1 1.765 2 3 0 -7.2508415904744 6098117 C1=CC=C2C(=C1)N/C(=C/3\C=C(C=CC3=O)N)/S2 1 1.872 2 1 0 -2.5115029916487 6098116 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(COCC3=CC(=CC=C3)Cl)C(C)C 1 4.103 2 4 -19.7590158403214 6098115 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(COCC3=CC=C(C=C3)C(F)(F)F)C(C)C 1 4.381 2 4 -18.2537577072345 6098091 CC1=CC=C(C=C1)NC2=N/C(=C/3\C=CC=CC3=O)/NC(=C2)C 1 2.718 3 1 -7.53704878116967 6098090 CC1=CC(=C(C=C1)C)NC2=N/C(=C/3\C=CC=CC3=O)/NC(=C2)C 1 3.204 3 1 -7.89740226548772 6098036 CCC1=C(/C(=C\2/C=CC(=O)C(=C2)OCC)/C(=C(N1)N)C#N)C 1 1.501 3 2 0 -5.90492457858527 6098021 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(COCC3=CC=C(C=C3)Cl)C(C)C 1 4.103 2 4 -20.02752590398 6098017 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(COCC3=CC=CC=C3)C(C)C 1 3.438 2 4 -22.6643394993464 6098016 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(CO)C(C)C 1 1.446 2 4 0 -19.8987579245911 6098010 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)COCC4=C(C=C(C=C4)Cl)Cl 1 5.48 2 4 -15.5104107480233 6097962 C1=CC=C2C(=C1)C(=N/C(=C/3\C=CC=CC3=O)/N2)NC4=CC=CC=C4O 1 3.33 3 2 -1.01953760809206 6097850 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=C(C=CC(=C3)C)C)/C(=O)C=C1 1 2.033 3 2 -8.17965520368834 6097849 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=CN=CC=C3)/C(=O)C=C1 1 -9.e-002 4 2 0 -6.89977086158269 6097848 COC1=C(C=C(C=C1)Cl)NC(=O)C2=C/C(=C\3/C=CC=CC3=O)/NN2 1 1.262 3 3 0 -6.37452855423624 6097847 CC1=C/C(=C\2/C=C(NN2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)/C(=O)C=C1 1 1.356 3 4 0 -12.927745730073 6097832 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=C(C=CC(=C3)OC)OC)/C(=O)C(=C1)C 1 1.474 3 4 0 -7.63621207471898 6097919 C1=CC=C(C=C1)CNC2=N/C(=C/3\C=CC=CC3=O)/NC4=CC=CC=C42 1 3.579 3 1 -7.23054215404034 6097912 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)COCC4=CC(=C(C=C4)Cl)Cl 1 5.48 2 4 -17.3245188333113 6097908 CC1=CC(=NO1)N/C(=C\2/C(=O)C3=CC=CC=C3S2)/O 1 2.141 2 3 -9.15330726413431 6097905 COC1=C/C(=C/C2=C(NOC2=O)C3=CC=CC=C3)/C=C(C1=O)Cl 1 1.87 1 4 0 1.80143999988941 6097776 CC1=C(C=C(C=C1)NC(=O)C2=C/C(=C\3/C=CC=CC3=O)/NN2)C 1 1.587 3 2 0 -6.33156377570307 6097772 CC1=C(C=C(C=C1)NC(=O)C2=C/C(=C\3/C=C(C=CC3=O)Cl)/NN2)C 1 1.956 3 2 0 -4.99731055690265 6097961 C1=CC=C2C(=C1)C(=N/C(=C/3\C=CC=CC3=O)/N2)NC4=CC=C(C=C4)O 1 3.33 3 2 -1.78022439569062 6097960 COC1=CC=CC(=C1)NC2=N/C(=C/3\C=CC=CC3=O)/NC4=CC=CC=C42 1 3.556 3 2 -3.42101229627843 6097933 C1=CC=C2C(=C1)C(=N/C(=C/3\C=CC=CC3=O)/N2)NCC4=CN=CC=C4 1 2.428 4 1 -8.86759787918243 6097702 COC1=CC(=C(C=C1)NC(=O)C2=C/C(=C\3/C=C(C=CC3=O)Cl)/NN2)OC 1 0.95 3 4 0 -9.22776425166615 6097701 C1=C/C(=C\2/C=C(NN2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)/C(=O)C=C1 1 -0.68 4 4 0 -11.7540449949029 6097697 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NC)/C(=O)C=C1C 1 1.885 4 3 0 -17.0121122362867 6097694 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=CC=C(C=C3)NC(=O)C)/C(=O)C=C1C 1 0.628 4 3 0 -7.56947148794851 6097693 CC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=C/C(=C\5/C=CC=CC5=O)/NN4 1 3.1 3 4 0 -0.507467070071048 6097686 CC1=C/C(=C\2/C=C(NN2)C(=O)NCC3=CC4=C(C=C3)OCO4)/C(=O)C(=C1)C 1 1.282 3 4 0 -9.69902101353495 6097895 CCOC(=O)C1=CC=C(C=C1)NC2=N/C(=C/3\C=CC=CC3=O)/NC(=C2)C 1 2.436 3 3 -12.6783853369992 6097894 C1CCC(=NCC1)/C(=C/2\NN=C3N2CCCCC3)/C#N 1 1.942 5 0 0 -13.0737681059118 6097881 C1COCCN1C(=O)CSC2=NN/C(=C/3\C=CC=CC3=O)/O2 1 0.833 3 4 0 -17.0335824619787 6097690 CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C/C(=C\4/C=C(C=C(C4=O)C)C)/NN3 1 2.234 4 3 0 -18.9554917601368 6097610 C1=C/C(=C/2\NN=C(O2)SCC(=O)OC3=CC=C(C=C3)Br)/C(=O)C=C1 1 3.911 2 4 -12.6555230940792 6097818 CC1=CC(=C(C=C1)C)NC(=O)C2=C/C(=C\3/C=C(C=C(C3=O)C)C)/NN2 1 2.48 3 2 -6.94183992723374 6097804 CC1=C/C(=C\2/C=C(NN2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)/C(=O)C(=C1)C 1 0.541 4 4 0 -12.9492455499452 6097797 CCCCC1=CN/C(=C/2\C=CC(=CC2=O)Br)/C=C1 1 2.899 1 1 -4.59490541563848 6097794 CC1=CC(=CC=C1)NC(=O)C2=C/C(=C\3/C=C(C=CC3=O)Cl)/NN2 1 1.469 3 2 0 -2.8617501889334 6097793 CC1=C/C(=C\2/C=C(NN2)C(=O)NCC3=CC=CC=C3)/C(=O)C=C1 1 1.068 3 2 0 -10.056397257544 6097784 CCC1=C/C(=C\2/C=C(NN2)C(=O)NC3=CN=CC=C3)/C(=O)C=C1 1 0.366 4 2 0 -5.99061338363633 6097747 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC(=CC(=N4)C)C)/C(=O)C=C1 1 0.856 6 4 0 -13.6403901899155 6097741 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C/C(=C\4/C=C(C=CC4=O)Cl)/NN3 1 0.758 3 4 0 -9.38320531181519 6097737 CC1=C(C=CC=C1Cl)NC(=O)C2=C/C(=C\3/C=CC=CC3=O)/NN2 1 1.765 3 2 0 -4.73740015115194 6097733 CC1=C/C(=C\2/C=C(NN2)C(=O)NCC3=CC=CC=C3)/C(=O)C(=C1)C 1 1.514 3 2 0 -8.81858198108944 6097724 COC1=C(C=C(C=C1)CCNC(=O)C2=C/C(=C\3/C=C(C=CC3=O)Cl)/NN2)OC 1 1.278 3 4 0 -11.3741147518987 6097713 C1=CC(=CC=C1CCNC(=O)C2=C/C(=C\3/C=C(C=CC3=O)Cl)/NN2)S(=O)(=O)N 1 1.6e-002 4 4 0 -12.6334298482254 6097676 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=CC=C(C=C3)NC(=O)C)/C(=O)C(=C1)C 1 0.628 4 3 0 -8.25512918073555 6097577 CCC1=NN=C(S1)NC(=O)CSC2=NN/C(=C/3\C=CC=CC3=O)/O2 1 1.917 5 3 0 -22.3058068700406 6097507 COC1=C(C=C(C=C1)CCN/C=C/2\C=CC=CC2=O)OC 1 2.116 1 3 -9.06434749650192 6097475 C1OC2=C(O1)C=C(C=C2)C(=O)/C(=C\3/NC4=C(S3)C=CC(=C4)C(F)(F)F)/C#N 1 4.562 2 3 -2.94721687251061 6097366 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)COCC4=CC(=CC=C4)C(F)(F)F 1 5.094 2 4 -15.8800752630289 6097332 CCOC(=O)/C=C\1/C(=O)OC2=CC=CC=C2N1 1 1.675 1 4 0 -5.45861378920855 6097311 COC1=CC=CC(=C1)OC2=N/C(=C/3\C=CC=CC3=O)/NC4=CC=CC=C42 1 4.203 2 3 -3.73163873713163 6097307 CC1=CC(=C(C=C1)OC2=N/C(=C/3\C=CC=CC3=O)/NC4=CC=CC=C42)OC 1 4.689 2 3 -4.91060341272977 6097303 CC1=CC(=C(C=C1)OC)NC2=N/C(=C/3\C=CC=CC3=O)/NC4=CC=CC=C42 1 4.042 3 2 -4.78833540417705 6097300 CCOC1=CC=CC=C1OC2=N/C(=C/3\C=CC=CC3=O)/NC4=CC=CC=C42 1 4.552 2 3 -6.88521399271705 6097138 CCCCC1=CN/C(=C/2\C=CC(=CC2=O)C)/C=C1 1 2.892 1 1 -5.48636833403058 6097137 CCC1=C(/C(=C\2/C=CC(=O)C(=C2)OC)/C(=C(N1)N)C#N)C 1 1.152 3 2 0 -4.1805450215025 6097135 CCOC1=C/C(=C/2\C(=C(NC(=C2C#N)N)C)C)/C=CC1=O 1 0.977 3 2 0 -7.56194399161376 6097134 C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(=O)CSC3=NN/C(=C/4\C=CC=CC4=O)/O3 1 4.73 2 5 0 -14.0033063799549 6096910 C1=C/C(=C(\C#N)/C(=O)CCCl)/NC=C1 1 0.521 2 1 0 -7.46198473325646 6096903 COC1=C/C(=C(/NCC2=CC=CC=C2)\S)/C=C(C1=O)Br 1 3.01 1 2 1.15495518670718 6096776 C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-].[Na+] Na+ 1 1.43 2 4 0 -3.15974006525025 6096773 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)COCC4=CC=CC(=C4)C 1 4.637 2 4 -18.6160783391648 6096764 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)COCC4=CC(=CC=C4)Cl 1 4.816 2 4 -16.984016799216 6096759 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)COCC4=CC=C(C=C4)C(F)(F)F 1 5.094 2 4 -15.3813644396044 6096758 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)COCC4=CC=C(C=C4)Cl 1 4.816 2 4 -17.1551326363498 6096757 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)COCC4=CC=CC=C4 1 4.151 2 4 -20.0849776937645 6096756 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)CO 1 2.159 2 4 -16.8911921034644 6096748 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOC(=O)NCC3=CC=C(C=C3)OC 1 2.168 3 6 0 -31.1566243747601 6096747 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOC(=O)NCC3=CC=CC=C3 1 2.184 3 5 0 -31.6295160190306 6096743 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOC(=O)NC3=CC(=CC(=C3)C)C 1 3.15 3 5 0 -28.3360870987551 6096742 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOC(=O)NC3=CC(=C(C=C3)C)C 1 3.15 3 5 0 -27.9189159052277 6096730 COC1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)NS(=O)(=O)C)C4=CC=C(C=C4)Br 1 3.093 5 3 0 -4.0427324814483 6096725 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOC(=O)NC3=CC=C(C=C3)F 1 2.383 3 5 0 -26.7708274707886 6096722 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOC(=O)NC3=CC(=CC=C3)Cl 1 2.842 3 5 0 -24.7338352395484 6096721 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOC(=O)NC3=CC=CC=C3C 1 2.664 3 5 0 -31.2514393399107 6096720 CC1=CC=C(C=C1)NC(=O)OCCN2CCN(CCC2=O)S(=O)(=O)C3=CC=C(C=C3)C 1 2.664 3 5 0 -28.3090234384714 6096714 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)COC(=O)NC4=CC=CC=C4 1 4.111 3 5 0 -19.8279325743618 6096711 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC(=CC=C3)F 1 2.423 2 4 -23.0615830386396 6096699 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC(=CC=C3)OC 1 2.201 2 5 0 -24.9801699203691 6096680 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC=C(C=C3)C(F)(F)F 1 3.16 2 4 -21.0014827820513 6096679 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC=C(C=C3)OC 1 2.201 2 5 0 -24.9391729298927 6096677 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC=C(C=C3)F 1 2.423 2 4 -23.8853726439183 6096676 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC=CC=C3C 1 2.704 2 4 -25.3293986581938 6096667 CC1=CC=C(C=C1)COCCN2CCN(CCC2=O)S(=O)(=O)C3=CC=C(C=C3)C 1 2.704 2 4 -25.4235686116011 6096648 COC1=CC(=C/C(=C\2/NC3=CC=CC=C3S2)/C4=NC5=CC=CC=C5S4)C=C(C1=O)OC 1 4.881 2 3 1.28555174557922 6096633 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC=C(C=C3)Cl 1 2.882 2 4 -22.7752509787968 6096627 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC(=CC=C3)C(F)(F)F 1 3.16 2 4 -21.402799378951 6096618 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC=CC(=C3)C 1 2.704 2 4 -24.1388024550869 6096617 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC(=CC=C3)Cl 1 2.882 2 4 -22.5067409151382 6096612 CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CC(=C(C=C3)OC)OC)C(=O)N 1 -0.264 5 4 0 -15.3044837976637 6096606 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC=CC=C3 1 2.218 2 4 -25.4120645741632 6096581 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCO 1 0.226 2 4 0 -22.1488668173716 6096578 C1=CC=C(C=C1)C2=C/C(=C\3/C=CC=CC3=O)/NC(=N2)NN 1 1.06 4 1 0 -3.41043883945358 6096479 C1CN(CCN(C1=O)C(CC2=CC=CC=C2)COCC3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC=C(C=C4)C(F)(F)F 1 5.847 2 3 -5.78637857476916 6096418 C1C(N=C2N=CNN2C1C3=CC=CS3)C4=CC=C(C=C4)Cl 1 2.567 4 0 1.10719695412523e-002 6096433 C1C(N2C(=NC1=O)N=C(N2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 1.804 5 2 0 -6.72719247040902 6096437 CC1=CC(=C(C(=C1)C)C2C3=C(NN(C3=NC4=C2C(=O)C5=CC=CC=C54)C6=CC=CC=N6)C)C 1 4.792 4 1 -7.4031055113091 6096439 C1CN(CCN(C1=O)C(CC2=CC=CC=C2)COCC3=CC=C(C=C3)Cl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l)N2CCN(CCC2=O)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 5.245 2 3 -7.07775964528934 6096226 C1CN(CCN(C1=O)C(CC2=CC=CC=C2)COCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(F)(F)F 1 4.904 2 3 -6.06790599937945 6096225 CC(C)CC(COCC1=CC=C(C=C1)Cl)N2CCN(CCC2=O)C(=O)C3=C(C=C(C=C3)Cl)Cl 1 5.631 2 3 -9.93469933358636 6096223 COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CO3 1 2.515 0 4 1.52681917610448 6096222 COC1=C2C(=O)C=C(OC2=C(C=C1)C3=CC=CC=C3)C4=CC=CO4 1 4.033 0 4 3.51600197177931 6096218 C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=CC(=C3O2)NS(=O)(=O)C4=CC(=CC(=C4O)Cl)Cl)O)Cl 1 5.133 1 6 0 4.84298422227833 6096216 C1=CC=C(C(=C1)C2=CC(=O)C3=C(O2)C=CC(=C3O)N)Cl 1 2.812 1 3 4.16685161577377 6096212 C1COCCN1C(=O)C2=CC=C(S2)C3=CC=CC=C3Cl 1 3.359 1 2 -7.58095811949669 6096204 CC1=CC=C(C2=CC=CC=C12)C3=NC(=CC=C3)C(=O)NCC4=CC=CC=C4 1 5.241 2 1 -5.30814057272024 6096203 CCOC1=CC=CC=C1C2=CC=C(O2)C(=O)NCC3=CC=CC=C3 1 4.159 1 3 -5.83768773223407 6096200 C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NCC3=CC=C(C=C3)Cl)C(F)(F)F 1 5.433 1 2 -0.643888608158775 6096198 CC1=CC(=C(C=C1)S(=O)(=O)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4)C 1 5.885 1 4 1.57053176928279 6096196 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=C(O2)C3=CC=C(C4=CC=CC=C43)C 1 5.275 1 4 -1.36673259944024 6096191 CCCCCCNC(=O)C1=CC=CC(=N1)C2=CC=C(C3=CC=CC=C32)C 1 5.898 2 1 -6.9456745721881 6096190 CC1=CC=C(C2=CC=CC=C12)C3=NC(=CC=C3)C(=O)NCCC4=CC=CC=C4 1 5.562 2 1 -4.58322301251567 6096189 CC1=CC=C(C2=CC=CC=C12)C3=NC(=CC=C3)C(=O)NCC4=CC=C(C=C4)OC 1 5.224 2 2 -4.73787888007238 6096188 CC1=CC=C(C2=CC=CC=C12)C3=NC(=CC=C3)C(=O)NCC4=CC=CC=C4OC 1 5.224 2 2 -7.0205497081507 6096181 CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CNN4C3=NC(CC4C(F)(F)F)C5=CC=CC=C5 1 4.208 4 3 0 -17.6486894044805 6096150 CC(COC)NC1=NN/C(=C\2/C=NC3=CC=CC=C32)/CS1 1 1.711 4 1 0 -13.3612312672331 6096089 C1=CC=C2C(=C1)N/C(=C/3\C=C(C=CC3=O)NC(=O)C4=CC=CS4)/S2 1 3.511 2 2 -7.2588971800161 6096084 CC1=C2C(C3=C(CC(CC3=O)(C)C)N=C2NN1)C4=CC=C(C=C4)N(C)C 1 2.067 4 1 -19.5983828262448 6095885 CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CC=C(C=C3)Br)C(=O)N 1 0.517 5 2 0 -9.57328432725311 6095880 C\1C(N(N/C1=C/2\C=CC=CC2=O)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Br 1 3.619 2 2 -4.55851314065877 6095876 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC=CS4 1 3.196 4 3 0 -14.3469277433141 6095709 CC1=C(C(N2C(=N1)N=CN2)C3=CC=CC=C3)C(=O)C 1 0.521 4 1 0 -12.4729050550842 6095674 CCN1/C(=C\2/C=NC3=CC=CC=C32)/NN=C1SCC(=O)N4CCN(CC4)C5=CC=CC=C5 1 3.359 6 1 0 -12.6309096568302 6095612 C1=CC=C(C=C1)CNC(=O)C2=NC(=CC=C2)Br 1 2.882 2 1 -9.77989272585097 6095610 CC1=CC=CC(=C1)C2N=C(N=C3N2C4=CC=CC=C4N3)N 1 2.435 5 0 -0.530290323843487 6095523 CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CC=C(C=C3)Cl)C(=O)N 1 0.433 5 2 0 -8.11662458215167 6095481 CCCC1=C(N(NC1=C2C=CC(=O)C=C2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O 1 4.52 2 3 0.820549563525894 6095443 CCOC1=CC=C(C=C1)NC2=NN/C(=C/3\C(=C(C(=N3)C)C(=O)OCC)C)/CS2 1 2.756 4 3 0 -14.5709943075007 6095367 C1C(N=C2N=C(NN2C1C3=CC=C(C=C3)F)NC(=O)C4=CC=CO4)C5=CC=CC=C5 1 3.18 5 2 0 -0.76855099107924 6095343 CC1=CC=CC=C1C2=CC=C(O2)C(=O)NCC3=CC=CC=C3 1 4.312 1 2 -2.92338829357036 6095333 CC1=CC=C(C2=CC=CC=C12)C3=CC=C(O3)C(=O)NCC4=CC=C(C=C4)Cl 1 5.885 1 2 -0.205058840630995 6095180 COCCN1C(C\2=C(C1=O)NN/C2=C\3/C=CC=CC3=O)C4=CC=C(C=C4)OC 1 0.422 3 4 0 -12.5602241583723 6095179 CC1=C(C(=CC=C1)NC2=NC(N3C(=O)C=C(NC3=N2)C)C4=CC=CC=C4)C 1 4.159 5 1 -4.20515749379008 6095175 COC1=CC(=O)/C(=C\2/C(=CN=CN2)C3=CC(=C(C=C3)OC)OC)/C=C1 1 1.068 2 4 0 -6.53300485511366 6095159 CC1=C(C2=NC3=C(C(N2N1)C4=CC=C(C=C4)OC)C(=O)CCC3)C5=CC=CC=C5 1 3.091 3 2 -11.8922815923699 6095087 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=NC(=O)CC(N3N2)C4=CC=C(C=C4)Cl 1 3.304 5 3 0 -2.07936388766482 6094921 CC1=C(/C(=C/2\C=CC(=CC2=O)OC)/N=C(N1)N)C3=CC=C(C=C3)OC 1 1.467 3 3 0 -6.76689120825602 6094852 CC1=C(C2=NC3=C(C(N2N1)C4=CC=CC=C4)C(=O)CCC3)C5=CC=CC=C5 1 3.108 3 1 -12.2247005295342 6094844 CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N3C4=CC=CC=C4NC3=N2)C 1 2.621 4 2 -6.67359309754858 6094841 CC1=C(C(=CC=C1)NC2=NC(N3C(=O)C=C(NC3=N2)C)C4=CC=C(C=C4)F)C 1 4.365 5 1 -2.94353255753981 6094825 CC1=CC=CC=C1NC(=O)C2CC(=O)N3C(=N2)N=CN3 1 -7.3e-002 5 2 0 -5.59902773549897 6094794 COC1=CC(=O)/C(=C\2/C(=CN=C(N2)N)C3=CC(=C(C=C3)OC)OC)/C=C1 1 0.937 3 4 0 -7.51404172176834 6094776 CCOC1=CC(=O)/C(=C\2/C(=CN=CN2)C3=CC(=C(C=C3)OC)OC)/C=C1 1 1.417 2 4 0 -7.24734685845701 6094722 C1=CC(=O)C(=CC1=NC2=CC(=C3C(=C2[N+](=O)[O-])NON3)Cl)C(=O)O 1 2.416 4 6 0 -1.3068734330678 6094634 CC1=CC(=CC=C1)NC(=O)C2CC(=O)N3C(=N2)N=CN3 1 -7.3e-002 5 2 0 -1.78461424961284 6094623 C1COC(=O)C1SC2=NNC(=C3C=CC(=O)C=C3)O2 1 1.603 2 4 0 -5.02906627267435 6094586 CC1=CC(=O)N2C(N=C(N=C2N1)NCC3=CC=CC=C3)C4=CC=CC=C4 1 2.548 5 1 -8.49569375873141 6094525 C1=CC(=CC=C1C2C(=C(N=C3N2NC=N3)N)C#N)F 1 0.788 6 0 0 -5.93004906624229 6094482 CC1=CC(=C(C=C1)NC2=NC(N3C(=O)C=C(NC3=N2)C)C4=CC=C(C=C4)F)C 1 4.365 5 1 -5.90528930390583 6094464 CC1=CC=C(C=C1)C2N=C(N=C3N2C(=O)C=C(N3)C)NCC4=CC=CC=C4 1 3.034 5 1 -7.93860520675674 6094402 CC1=CC(=C(C=C1)NC2=NC(N3C(=O)C=C(NC3=N2)C)C4=CC=CC=C4)C 1 4.159 5 1 -7.06952001363131 6094383 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3CCS(=O)(=O)C3)/C(=O)C=C1 1 -1.008 3 4 0 -15.2126111246637 6094296 COC1=CC=C(C=C1)NC(=O)C2CC(=O)N3C(=N2)N=CN3 1 -0.576 5 3 0 -4.08522601208611 6094250 CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N3C(=N2)N=CN3)C 1 0.413 5 2 0 -3.92017461758208 6094218 CC1=CC=C(C=C1)NC2=NC(N3C(=O)C=C(NC3=N2)C)C4=CC=C(C=C4)F 1 3.879 5 1 -5.26782653762566 6094204 C1C(N=C2NC3=CC=CC=C3N2C1=O)C(=O)NC4=CC=C(C=C4)Cl 1 2.313 4 2 -4.60367959232165 6094165 C1C(N=C2N=CNN2C1=O)C(=O)NC3=CC=C(C=C3)F 1 -0.354 5 2 0 -2.96038277747671 6094136 COC1=CC=C(C=C1)CCN2C(C\3=C(C2=O)NN/C3=C\4/C=CC=CC4=O)C5=CC(=CC=C5)Cl 1 3.122 3 3 -8.53979732942871 6094104 CN\1C2=C(N/C1=C\3/C=C(C=CC3=O)Cl)N(C(=O)NC2=O)CC4=CC=CC=C4 1 2.018 4 3 0 -3.66077808041015 6094102 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NN/C(=C\4/C=NC5=CC=CC=C54)/CS3 1 2.134 6 1 0 -19.6504502746615 6094088 CC1(C=C(N2C(=N1)N=C(N2)C(F)(F)F)C3=CC=C(C=C3)OCC#N)C4=CC=C(C=C4)OCC#N 1 2.865 6 2 0 -1.69539686139005 6094086 CC\1=C(C(=N/C1=C/2\CSC(=NN2)NC(C)(C)C)C)C(=O)C 1 1.305 4 1 0 -14.9863877841312 6094085 CC\1=C(C(=N/C1=C/2\CSC(=NN2)NCC3=CC=CC=C3)C)C(=O)C 1 1.957 4 1 0 -11.939999950692 6094041 CC1=CC(=C(C=C1)S(=O)(=O)NC(=O)C2=CC=C(O2)Br)C 1 3.125 1 4 -6.08495695326899 6093854 CC1=CC=C(C=C1)C2=CC(N=C3N2NC(=N3)C(F)(F)F)(C)C4=CC=C(C=C4)C 1 5.056 4 0 3.03180393346864 6093749 CCN1/C(=C\2/C=NC3=CC=CC=C32)/NN=C1SCC(=O)NC4=CC(=C(C=C4)OC)OC 1 3.067 5 3 0 -20.4607650240898 6093725 C1COC(=CO1)C(=O)NC2=C/C(=C/3\NC4=CC=CC=C4S3)/C(=O)C=C2 1 1.472 2 4 0 -7.89203441321612 6093697 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=C(O2)Br 1 2.638 1 4 -7.21164831903776 6093539 C1=CC(=O)/C(=C\2/C=CNN2)/C=C1Br 1 5.2e-002 2 1 0 -3.44389592117218 6093538 COC1=CC=C/C(=C/2\NNN=N2)/C1=O 1 0.515 4 2 0 -5.21864740992758 6093513 C1=CC=C(C=C1)N2/C(=C\[O-])/C(=NC2=O)[N+]3=CC=CC=C3 1 1.635 3 2 0 -4.23390744718015 6093506 CO/C(=C\1/C(=O)C2=CC=CC=C2C(=O)N1)/O 1 0.739 1 4 0 -3.75831505793781 6093501 COC1=CC=C(C=C1)N/C=C\2/C=CC=N2 1 1.453 2 1 0 -2.25580162926305 6092923 CN1C=NN=C1SC2=C(C=C(C=C2)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3)[N+](=O)[O-] 1 4.055 5 4 0 -12.4032959104869 6092913 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)N2)CC(=O)OC)O 1 0.74 2 6 0 -8.18979896971801 6092700 C1=CC=C(C=C1)/C=C/C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3 1 4.512 0 2 3.99810099938692 6092554 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC(=CC=C5)O)/O 1 3.002 2 5 0 -7.0571431217419 6092477 C1=COC(=C1)C2=C/C(=C/3\C=C(C=CC3=O)Br)/NN2 1 1.196 2 2 0 -0.445972929219781 6092273 COC1=CC=C/C(=C\NNC(=O)COC2=CC=CC3=C2N=CC=C3)/C1=O 1 0.716 3 4 0 -11.0899249582846 6092220 CC1=CC(=CC(=C1)NC(=S)/C(=C(/C2=C(C=C(C=C2)Cl)Cl)\[O-])/[N+]3=CC=C(C=C3)C(C)(C)C)C 1 7.8 2 1 4.01200277665265 6092311 CC(C)(C)NC(=O)/C(=C\C1=CC=CC=C1F)/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.026 3 4 0 -19.7616010408088 6092126 C1CCC(C1)NC(=O)COC(=O)C2=C3CC/C(=C\C4=CC=CO4)/C3=NC5=CC=CC=C52 1 4.704 2 4 -9.1236750219468 6091989 COC1=CC(=CC(=C1OC)OC)/C=C/C2=NC3=C(C=CC=C3O)C=C2 1 4.139 1 4 2.56221516455166 6092151 C1COCCN1C2=NN=C(N2C3=CC=CC=C3)/C(=C/C4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-])/C#N 1 4.079 6 4 0 -7.60646717376543 6091921 C1=CC=C2C=C(C=CC2=C1)C(=O)/C=C/C3=CC=C(C=C3)OCC(=O)O 1 4.075 0 4 -1.30546730632445 6091859 COC1=CC=C/C(=C\NNC(=O)CN2CC(CC2=O)C3=CC=CC=C3)/C1=O 1 -9.7e-002 3 4 0 -9.03201413850253 6091856 COC1=CC=C(C=C1)C2C(/C(=C\3/C=NC4=CC=CC=C43)/NN2)O 1 1.427 3 2 0 0.666076787542715 6091464 C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3S2=O)[N+](=O)[O-])[N+](=O)[O-] 1 2.339 3 6 0 -2.27198472467364 6091386 CNC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC3=CC=CC=C32)[N+](=O)[O-] 1 4.313 2 3 -1.30896495333016 6091427 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)/C=C/C3=CC=C(O3)Br)Cl 1 4.862 2 4 -7.52976091355142 6091166 COC1=CC=C(C=C1)N2C(=O)/C(=C/NCCCN3C=CN=C3)/C(=O)NC2=O 1 -7.9e-002 5 4 0 -6.0678661264285 6091096 CCOC(=O)/C=C/C(=O)OCC(=O)NC1=NC=C(C=C1)Cl 1 1.528 2 5 0 -4.52158495159963 6091212 CN1C(=O)C(=NNC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C(=O)N(C1=O)C 1 -0.13 5 6 0 -23.8727973646445 6090904 CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC=C(C=C4)Cl 1 2.681 3 6 0 -21.1572946779074 6090725 COC1=CC(=CNNC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C=C(C1=O)OC 1 1.271 5 7 0 -3.75385908144967 6090798 CC1=C(C(=O)N(N1)C2=CC=CC=C2)N/N=C\3/C4=CC=CC=C4C(=CC3=O)S(=O)(=O)N(C)C 1 0.801 5 4 0 -9.1037919399205 6090843 CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)/C=C/C(=O)O 1 1.921 3 3 0 1.38630619175397 6090842 CN(C)N1C(=O)/C(=C/C2=CC=C(C=C2)Cl)/N=C1SC 1 2.787 3 1 -5.28567299295309 6090630 CCOC1=C(C=CC(=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2)OC 1 4.247 1 4 -7.75279378688576 6090335 CC(C)N1C2=CC=CC=C2/C(=N/NC(=O)CN3C=CC(=N3)C(F)(F)F)/C1=O 1 2.569 5 2 0 -9.94930185896078 6090191 CCN1C2=CC=CC=C2N=C1N/C=C/3\C=CC=CC3=O 1 2.238 3 1 -4.21837754167165 6090089 C1C2CC3CC1CC(C2)(C3)CC(=O)NN/C=C\4/C=CC=N4 1 1.303 3 1 0 -5.89821172669636 6089713 CCN1C(=NC2=C1C=CC(=C2)C(=O)NN/C=C/3\C=CC(=O)C(=C3O)O)C 1 0.262 4 4 0 -5.30987386790073 6089462 CC1=CC=C(C=C1)/C=C/C2=NN=C(O2)C3=CC=CC=C3 1 4.008 2 1 3.99080681414456 6089454 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 2.34 2 6 0 -24.3384542478434 6089311 C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)F)CCC#N)/C#N 1 4.926 5 0 -4.49619400056864 6089213 COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)OC 1 5.203 0 6 -6.75888855372134 6088886 CC(C)(C)C1=NN=C(N(C1=O)N)NNC=C2C=CC(=O)C=C2 1 0.369 6 2 0 -1.98725030648995 6088826 CC1=CC(=C(C=C1)C)NC(=S)/C(=C(/C2=CC=C(S2)Cl)\[O-])/[N+]3=CC=CC=C3 1 5.483 2 1 -0.300854495092858 6088706 COC1=C/C(=C/NNC(=O)CCC(=O)NC2=CC=C(C=C2)Br)/C=CC1=O 1 0.779 3 4 0 -6.42239729164127 6088577 COC1=C(C(=CC(=C1)/C=C/C(=O)OCC(=O)NC2CC2)S(=O)(=O)N3CCC4=CC=CC=C43)OC 1 2.438 2 7 0 -22.441230872565 6088483 C1=CC(=CC=C1C(=O)O)N/N=C/2\C(=NC(=O)NC2=O)N 1 0.338 5 4 0 -10.1121714453594 6088029 COC1=C(C=CC(=C1)/C=C(\C#N)/C2=CC=CC=N2)OCC3=CC=C(C=C3)Cl 1 5.148 2 2 -8.95655221299564 6087937 CC1=C(C(=CC=C1)C)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=NC=CS4 1 3.696 3 2 -4.45039948139423 6087869 C1COCCN1CCCNC(=O)/C=C/C2=C(C=CC=C2Cl)F 1 2.264 2 2 -10.3224108296181 6087863 CC1C/C(=C\C2=CC(=CC=C2)F)/C3=C(C1)C(NC(=S)N3)C4=CC(=CC=C4)F 1 5.88 2 0 -12.0592933646152 6087851 CCO/C=C/1\C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3OC 1 2.657 1 4 -6.07436871677511 6087622 CC1=CC(=C(N1C)C)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)SC 1 3.541 1 3 -3.58901907872521 6087502 CN1C=NN=C1SC2=C(C=C(C=C2)/C=C(\CCC(=O)O)/C3=NC4=CC=CC=C4S3)[N+](=O)[O-] 1 4.512 5 4 0 -14.7180456442852 6087640 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=C(C=C5)C(C)C)/O 1 3.894 2 5 0 -9.87438301704467 6087362 CCOC(=O)/C(=C/NC1=CC(=NN1C2=CC=CC=C2)C)/C(=O)C 1 2.167 3 3 -2.51161090469349 6087012 CC1=CC2=C(C3=C(/C(=C/C4=CC(=C(C=C4)OC)O)/CCC3)N=C2C=C1)C(=O)O 1 5.305 1 4 3.24669224651073 6086942 COC1=CC(=C(C=C1)/C=C/C(=O)NCC2COC3=CC=CC=C3O2)OC 1 2.936 1 5 -6.63899570210659 6086934 C/C=C/C(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl 1 2.316 2 5 0 -7.77384970554183 6086833 CC1=CC(=CC2=C(C(=O)N=C12)NNC3=CC=CC=C3C(=O)O)Cl 1 2.326 3 3 -4.95549975119699 6086681 CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC(=O)NCC(C)C)OCC 1 3.829 2 6 0 -15.1382244331799 6086777 CC1=CC=C(C=C1)NC(=O)CCC(=O)NNC=C2C=CC(=O)C=C2 1 0.828 3 3 0 -6.67939778140598 6086431 COC1=CC=C(C=C1)C2CC(N=C3N2NC(=N3)NS(=O)(=O)C)C4=CC=CC=C4 1 2.335 5 3 0 -2.67403248641127 6086529 C1COCCN1C2=CC=C(C=C2)C(=O)/C=C/C3=CC=CS3 1 3.505 1 2 -1.26216244111402 6086511 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)OC)N 1 0.693 3 6 0 -13.6130695224644 6086482 C1CN(CCN1CC2=CC=CC=C2Cl)CC(=O)NNC3=C4C=CC=CC4=NC3=O 1 1.662 5 2 0 -5.77862880511133 6086382 CC1=CC(=C2C(=C1)C=CC3(O2)N(C(=O)C4=CC=CC=C4O3)C)/C=C/C(=O)C5=CC=CC=C5 1 6.193 1 4 1.80624852766803 6086350 C1CCN(CC1)C2=NC(=NC(=N2)NN/C=C/3\C=NC4=CC=CC=C43)N5CCCCC5 1 2.409 8 0 0 2.19794287737979 6086314 CCSC1=NSC2=NC(=O)/C(=C\C3=CC=CS3)/C(=N)N21 1 3.934 4 1 -11.4458366422369 6085636 CCN1C(=C(C(=N1)C)NC(=O)/C=C/C2=CC(=C(C=C2)OC)COC3=C(C=C(C=C3)Cl)Br)C 1 5.472 3 3 -5.36255765573193 6085579 CC1=CC(=C(C=C1)/C=C/C(=O)NCC2=CC=CS2)C 1 3.801 1 1 -6.91152579117051 6084962 CN(C1=CC=CC(=N1)C(F)(F)F)N/C=C/2\C=C(C=C(C2=O)Br)Br 1 3.642 3 1 0.103601635990623 6084326 C1CS(=O)(=O)CC1NC(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 0.615 2 7 0 -15.4461110264604 6084077 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)N3C(=O)/C(=C/C4=CC=C(C=C4)Cl)/SC3=S 1 4.037 2 5 0 -5.67266840953161 6083910 C1=CC=C(C=C1)C2=CN(C(=S)N2)NC=C3C=CC(=O)C=C3 1 1.73 3 1 0 -1.68189119041571 6083818 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC 1 2.312 2 7 0 -10.2772981572047 6083470 C/C(=C\C(=S)NC1=CC=CC=C1)/NC2=CC3=CC=CC=C3C=C2 1 5.217 2 0 0.45938558926056 6083642 C1CN(CCN1CCO)C2=N/C(=C/3\C=CC=CC3=O)/NC4=CC=CC=C42 1 1.619 4 2 0 -2.59311495479951 6083558 C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)/C=C(\CCC(=O)O)/C3=NC4=CC=CC=C4S3)Cl 1 5.836 2 3 -7.57777182858931 6083457 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)/C=C/C3=CC=C(C=C3)F)C)C 1 5.234 2 3 -7.91909135948247 6083389 C1=CC=C(C(=C1)/C=C/C(=O)NN2C=NC3=CC=CC=C3C2=O)Cl 1 2.922 3 2 -2.71617061427123 6083373 CCN1C2=CC=CC=C2/C(=N/NC3=CC(=C(C=C3)Cl)C(=O)O)/C1=O 1 3.378 3 3 -6.36185266817869 6083008 CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCCS(=O)(=O)[O-])/C=C/C3=CC=C(C=C3)Cl 1 2.82 2 5 0 -0.566832210861391 6082869 CC1=C(SC=N1)C(=O)N2C(C3CCC/C(=C\C4=CC=C(C=C4)OC)/C3=N2)C5=CC=C(C=C5)OC 1 4.864 3 3 -14.3636396130539 6082856 CC1=C(C(=CC=C1)C)NC(=S)NNC(=C2C=CC(=O)C=C2)C 1 3.895 3 1 -3.73260681024585 6082584 CC1CCCCC1NC(=O)COC(=O)/C=C/C2=C(C=C(C=C2)OC)OC 1 3.357 1 5 -11.6563959400952 6082678 C=CCOC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)NC3=CN=CC=C3 1 3.229 3 2 -11.5890015450984 6082544 CCOC1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCCN5CCOCC5 1 2.383 2 7 0 -13.1793201566021 6082542 CCC(=C1C(=O)N(C(=O)N(C1=O)C)C)NNC2=CC=CC=C2 1 1.327 4 3 0 -7.94713984618915 6082477 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)O 1 2.109 2 7 0 -17.7554281477113 6082354 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2/C=C/C4=CC=CO4)Cl 1 5.587 2 1 2.72809227274601 6082305 CC(C)N1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)CCC3=CC=CC=C3)/C1=O 1 2.247 4 3 0 -17.5880974623312 6082408 C1CCC(=CC1)CCN2C(=O)/C(=C/NCCCN3C=CN=C3)/C(=O)NC2=S 1 1.587 5 2 0 -9.13617864217848 6082335 CC1=C(C(=CC=C1)C)NC(=S)/C(=C(/C2=CC=CS2)\[O-])/[N+]3=CC=CC=C3 1 5.024 2 1 -6.11961723363258 6082067 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)/C=C/C3=CC=CO3 1 1.959 1 6 0 -11.7816471069941 6081864 CC\1=NN(C(=O)/C1=C\C2=CC=CN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)Cl 1 3.571 4 3 0 -4.26166609337752 6081586 CC(=O)/C(=C(\C1=CC=CC=C1)/N)/C(=O)OC 1 0.646 1 3 0 -2.09858139896018 6081585 COC1=C/C(=C/NNC(=S)NC2CC3CC2C4C3CC=C4)/C=CC1=O 1 1.988 3 2 0 -3.5386160928236 6081455 COC1=CC=CC(=C1OC)/C=C\2/C(=O)N(C(=S)S2)C(C3=CC=CC=C3)C(=O)O 1 4.214 1 5 -8.98436031619871 6081450 COC1=CC=C/C(=C\NNC(=O)CNC(=O)COC2=CC=CC=C2)/C1=O 1 -0.411 3 5 0 -11.6282876000334 6080895 C/C(=C(/C#N)\C(=O)COC(=O)CSC1=CC2=CC=CC=C2C=C1)/N 1 2.109 2 3 -11.5556945852906 6080397 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)O 1 1.77 1 4 0 -9.30573652262803 6080298 CC(C(=O)/C=C/N(C)C)OC1=C(C=C(C=C1)Cl)Cl 1 3.363 1 2 -1.4284337140648 6080250 C1=CC=C(C=C1)S(=O)(=O)/C(=C/NC2=CC=C(C=C2)Cl)/C=C/C#N 1 3.457 2 2 -4.96745309634209 6080124 CC1=CC=C(C=C1)C2=C(C(=O)C(=O)N=N2)NNC3=CC=CC=C3 1 3.538 4 2 -0.247321604930212 6080048 CC1=CC=CC=C1CN2C3=CC=CC=C3S/C(=C/C4=CC=C(C=C4)C(=O)NCCN5CCOCC5)/C2=O 1 4.385 3 3 -9.47002866405014 6080015 CC1=C(C=CC(=C1)Cl)N(CC(=O)NNC2=C3C=CC=CC3=NC2=O)S(=O)(=O)C 1 1.235 4 4 0 -12.2812405651729 6079942 CC1CC1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=C(C=C(C=C3)Cl)Cl 1 4.8 2 2 -15.3887686250925 6079906 CCOC(=O)/C(=C/NC1=CC=C(C=C1)F)/[N+](=O)[O-] 1 1.79 2 4 0 -1.40570815876624 6079611 COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N=C4C(=N3)C5=CC=CC=C5N4 1 4.19 4 2 -14.7870802757922 6079403 CN(C)/C=C/C1=C(C(=NS1)SCC2=CC=CC=C2C(=O)OC)C#N 1 3.541 3 2 -13.1971783051705 6079417 CCCCC(=O)NN/C=C/1\C(=O)NC(=S)N(C1=O)CC=C 1 0.749 4 3 0 -14.9222367089158 6079092 CCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OC)\O)/C(=O)C(=O)N2C4=CC=CC=N4)OC 1 3.64 2 6 0 -11.8598259609983 6079024 CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CS4)/O)C 1 2.332 3 6 0 -18.147768103449 6078945 CCOC(=O)C1=C(N=CN1)N/N=C/2\C(=O)C=CC3=CC=CC=C32 1 2.529 4 3 0 -5.96515638455588 6078986 CCCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC=CC(=C4)C)C)/C(=O)N=C2S1 1 5.207 5 1 -13.1631780064811 6078981 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)CC(=O)N5CCOCC5 1 2.864 6 4 0 -23.4578044727033 6078906 C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NC4CCS(=O)(=O)C4 1 0.865 5 4 0 -27.7646439105331 6078227 CN\1C=CC=C/C1=C/2\C(=O)OC(=N2)C3=CC=CC=C3 1 1.722 2 2 0 -7.89458173266501 6078215 CC1=CC(=NC(=N1)NN/C=C/2\C=C(C=CC2=O)Br)C 1 0.895 4 1 0 -2.06925696766828 6078143 COC1=CC=CC=C1/C=C(\C2=CC=CC=C2)/C(=O)NCCCN3C=CN=C3 1 2.772 3 2 -7.97969091735754 6078141 C1=CC=C2C(=C1)/C(=C/NNC(=NC3=CC=C(C=C3)Cl)C[N+](=O)[O-])/OC2=O 1 2.185 4 4 0 2.02129935533074 6078004 CCOC1=C(C=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O)OC 1 4.376 1 4 -4.69329319951489 6077976 CCCOC1=CC=CC(=C1)C2/C(=C(\C3=CC4=C(C=C3)OC(C4)C)/O)/C(=O)C(=O)N2CCN5CCOCC5 1 3.494 2 6 0 -10.8559598750691 6077931 CC1=CC=C(O1)/C=C/C(=O)OC(C)C(=O)NC2=C(C=C(C=N2)Cl)Cl 1 3.531 2 4 -2.60858440659109 6077885 CC(C)(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCCN5CCOCC5 1 3.451 2 6 0 -9.42199664663865 6077787 C1=CC2=NC(=O)C(=C2C=C1F)NNC3=NNC(=O)NC3=O 1 -1.449 6 3 0 -15.1903433393443 6077425 C/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)/NCCC3=CNC4=CC=CC=C43 1 2.829 4 4 0 -10.7042625997848 6077408 C1C(C1/C(=C\2/C=CC=CN2)/N=O)C3=CC=CC=C3 1 2.16 2 1 -4.95055777557173 6077199 CC(C)OC1=CC=C(C=C1)/C=C/C(=O)NCC2COC3=CC=CC=C3O2 1 3.678 1 4 -8.04896319454888 6077194 CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/NC2=O 1 3.809 3 4 0 -2.79483657550031 6077076 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)OC5=CC=CC=C5)/C#N 1 2.147 6 4 0 -27.4386607127616 6077074 C/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)/NN3CCCCCC3 1 2.327 4 3 0 -4.51556772874997 6077070 COC1=C(C=C(C=C1)C2CC(=O)N=C3C2=C4C(=C(S3)N)C(=C(C(=N4)N)C#N)N)OC 1 2.7e-002 6 3 0 -9.6909363482815 6077054 CCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCN5CCOCC5)OCC 1 2.653 2 8 0 -19.0063355244165 6076861 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC 1 3.398 2 7 0 -5.54240496972347 6076661 CN(C1=CC=CC=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 3.056 1 3 -3.7140015918214 6076775 CC1=N/C(=N/NC2=CC=CC=C2)/N=C1N=NC3=CC=CC=C3 1 4.207 6 0 1.87966145992253 6076763 CC1=C2C(C3=C(CC(CC3=O)(C)C)N=C2N(N1)C4=CC=CC=N4)C5=CC=NC=C5 1 1.925 5 1 0 -14.573869267243 6076745 C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NNC(=O)C4=CN=CC=C4 1 0.112 4 5 0 -19.1339346836808 6076642 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)/C=C/C3=CC=CC=C3Cl 1 3 3 2 -5.63946708441629 6115977 C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=O)ON2)C=C3C=CC(=O)C=C3 1 1.708 2 5 0 -2.5916261573338 6115946 CCSC1=N/C(=C\C2=CC=C(S2)C)/C(=O)S1 1 3.855 1 1 -6.47013013660593 6115882 C1=CC(=CN=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)O)/SC2=S 1 3.231 2 2 -3.08584804192187 6115727 C1CCN(CC1)C(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-] 1 2.601 2 3 -1.46525147761935 6115656 CC(=O)C1=CC=C(C=C1)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=C(C=CC(=C4)Cl)N5CCOCC5 1 3.98 3 4 0 -8.49009887730742 6115448 CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3CCCO3)C(=O)/C=C/C(=O)O 1 1.82 2 6 0 -9.67204571648559 6114997 C/C(=C(/C#N)\C(=O)CSC1=NN=C(O1)C2=CC3=C(C=C2)OCO3)/N 1 1.102 4 4 0 -14.3592440722783 6114722 CCN1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)C 1 2.504 2 1 -3.64146444106449 6114335 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC(=C(C(=C2)S(=O)(=O)N3CCC4=CC=CC=C43)OC)OC 1 2.645 3 8 0 -22.4606427303062 6113963 COC1=CC(=CNNC2=NC3=CC=CC=C3O2)C=C(C1=O)OC 1 0.578 3 4 0 4.34345785953509 6113396 C1CN(C2=CC=CC=C21)C(=O)/C(=C\C3=CC=CO3)/NC(=O)C4=CC=CO4 1 2.642 2 4 -16.9005960388636 6113305 CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CNC3=CC=CC=C32)/C#N 1 3.763 2 2 -3.01365808908183 6113299 CC\1=NC2=CC=CC=C2/C1=C/NNC3=CC=CC=N3 1 1.916 4 0 0 0.281741665819376 6113296 COC1=CC=C(C=C1)/C=C(/CC(=O)NCC2=CC=C(C=C2)Cl)\C3=NC4=CC=CC=C4S3 1 5.741 2 2 -5.37190273087236 6113170 C1C/C(=C(/C#N)\C(=O)N)/NC2=CC=CC=C21 1 1.176 3 1 0 -4.4015428072341 6113169 CCCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=CS3)C 1 2.278 4 2 -18.5566088151592 6113154 CN1CCN(CC1)NC(=O)/C=C/C2=CC(=CC=C2)Cl 1 1.841 3 1 0 1.97588728981093 6113059 CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)N=C4N2NC(=N4)C(=O)OC)OC 1 1.926 4 5 0 -19.7626881352723 6113051 CCCOC1=CC(=O)/C(=C/NNC2=CC(=CC=C2)[N+](=O)[O-])/C=C1 1 2.227 3 4 0 -1.23823599135285 6112733 CCO/C(=C/1\C(N(C(=O)C1=O)CCCN2C=CN=C2)C3=CC=C(C=C3)C)/O 1 1.931 3 4 0 -4.13734704949198 6112552 CCN(CC)C1=CC(=O)/C(=C/NNC(=O)CNC(=O)C2COC3=CC=CC=C3O2)/C=C1 1 0.308 4 5 0 -9.23876742413844 6112377 C=CC1=CC=C(C=C1)N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 3.701 1 1 -2.98252431700684 6112356 COC1=CC=C(C=C1)/C=C/C(=O)C2=C3C=CC=C4C3=C(CC4)C=C2 1 5.194 0 2 5.2480334257972 6112334 CC1=CC=CC2=C1NC(=O)C(=C2)C=C3C(=O)NC(=O)NC3=O 1 0.733 3 4 0 -7.05178269742946 6076496 C1=CC=C(C=C1)/C=C(\CCO)/C(=O)NNC=C2C=CC(=O)C=C2 1 1.151 2 3 0 -2.63517438906001 6076234 COC1=CC(=CC(=C1OC)OC)C(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.187 3 5 0 -1.39399271945795 6076231 CCN(CC)C1=CC(=O)/C(=C/NNC2=CC=CC(=C2)C)/C=C1 1 2.727 3 1 1.52112960593964 6076195 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4Cl 1 2.914 4 3 0 -8.87709778234896 6075690 CC1=C(N2C=CC=CC2=C1)C(=O)C3=CC(=C(C=C3)NNC(=C4C=CC(=O)C=C4)C)[N+](=O)[O-] 1 4.194 4 4 0 -8.09463161428074 6075631 CC1=CC=C(O1)/C=C/C(=O)C 1 1.568 0 2 0 1.39978542715629 6075599 CC1=C(SC=C1)/C=C(\C#N)/C(=O)NC2CCS(=O)(=O)C2 1 1.292 2 3 0 -18.7671707329029 6075261 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N4CCOCC4 1 2.805 3 4 0 -11.9637778495602 6075228 CC(C1=CC=CC=C1)NC(=O)/C(=C/C2=CC=C(C=C2)N3CCOCC3)/C#N 1 3.155 3 2 -13.6499778727628 6074923 CCC1CSC(=N1)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC(=CC=C3)C 1 5.49 2 1 0.169583443742424 6074873 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)/C=C/C2=CC=CS2 1 3.336 2 3 -18.5023461251445 6074863 CCC1=CC=C(C=C1)NC2N=C3C=C(NN3S2)C 1 3.279 4 0 -3.31493034035245 6074857 C1=CC=C(C=C1)NC\2=C(C(=O)N=C/C2=C\NNCCO)C#N 1 -0.431 5 2 0 -1.47035486646501 6074830 CCOC1=CC=CC=C1N2C3=CC=CC=[N+]3/C(=C(/NC4=CC=C(C=C4)C)\[O-])/C2=S 1 5.477 3 2 -5.4444430932326 6074729 C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)/C=C(\C#N)/S(=O)(=O)C5=CC=CC=C5 1 3.164 5 3 0 -12.7142494761307 6074664 CCCOC1=CC=C(C=C1)CCC(=O)NN/C=C\2/C(=NC(=O)NC2=O)C 1 1.243 4 4 0 -10.9095903090232 6074588 C1=CC=C2C(=C1)/C(=C/NNC3=CC(=C(C=C3)Cl)C(=O)O)/C=N2 1 2.743 3 2 -0.851883898815109 6074147 CC1CCCC(C1C)NC(=O)COC(=O)/C=C/C2=CC=CO2 1 3.037 1 4 -10.0607045257107 6074269 CC1=CC=C(C=C1)/C(=N/OC(=O)CC2=CC=CS2)/N 1 2.861 2 2 -0.446648003711482 6074246 COC1=C(C=C(C=C1)/C=C/2\C(=O)NC3=C(S2)C=CC(=C3)C(=O)N4CCOCC4)OC 1 2.144 2 5 0 -13.408593800864 6073967 CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=O)NN/C=C/3\C=CC(=O)C(=C3)OC 1 1.965 3 4 0 -8.84606736328447 6073888 C1=CC=C(C=C1)COC2=CC\3=C(C=C2)N=C/C3=C\NNC4=NC(=O)C(S4)CC(=O)NC5=CC=CC=C5 1 3.538 5 3 0 -9.07715802627711 6073332 COC(=O)NNC1=C2C=C(C=CC2=NC1=O)Br 1 0.547 3 3 0 -6.26467973780883 6073525 C/C(=C\1/C=CC=CC1=O)/NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 0.885 4 5 0 -10.2524493152125 6073185 COC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 2.79 2 7 0 -18.9383630876964 6073009 C1CC(OC1)CNC(=S)NNC=C2C=CC(=O)C=C2 1 0.913 3 2 0 -10.3265949829237 6073008 CC1=CC2=C(C(=O)N=C2C(=C1)C)NNC(=S)NCCOC 1 1.425 4 2 0 -14.545652098278 6072669 CCN1CCN(CC1)C2=N/C(=C/3\C=CC=C(C3=O)OC)/NC4=CC=CC=C42 1 2.195 4 2 -4.3800947700111 6072692 CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CC(=C(C=C3)OC)OC)C(=O)NC4=CC=C(C=C4)OC 1 1.502 5 5 0 -18.2250636655017 6072672 CC1=C(C=NN1C2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=CO5)/O 1 1.925 4 5 0 -11.2424470053938 6072641 CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)/C=C/C2=CC=CC=C2 1 3.76 1 3 -8.41148828910397 6072558 CC1=C(C=C2C(=N1)N=C(N2)SCC(=O)OC)Br 1 2.212 3 2 -8.65191172748911 6072154 CC1=NC=C(/C(=C/NNC(=O)C2=CC3=C(S2)CCCC3)/C1=O)CO 1 0.754 3 3 0 -7.5345401806846 6072187 C1=CC=C(C(=C1)NNC2=C3C=CC=CC3=NC2=O)F 1 2.086 3 1 -3.63522526652563 6072107 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl 1 4.534 3 3 -8.4963540701191 6072045 CN(C)CCCNC(=O)/C(=C\C1=CC=C(O1)C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CC=C3 1 4.149 3 3 -14.2334253783384 6072002 CCC1(C(=O)N(C(=O)N1)NC=C2C=C(C(=O)C(=C2)OC)OC)C 1 -0.291 3 5 0 -1.15935475741384 6071901 CC1=CC=C(C=C1)S(=O)(=O)N/C=C/2\C=C(C=CC2=O)Br 1 2.14 1 3 -4.59287221385173 6071667 COC1=C(C=C(C=C1)CCNC(=O)/C(=C/C2=CC(=CC=C2)OCC3=CC=CC=C3)/C#N)OC 1 4.783 2 4 -17.3107089609058 6071436 COC1=CC=C(C=C1)CNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.584 2 7 0 -26.060820755144 6071203 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NNC(=C3N=C4C=CC=CC4=N3)C#N 1 1.569 6 3 0 -19.7718614062265 6070916 CC1=CC=CC=C1N2C(=O)/C(=C\NN3CCCCC3C4=CN=CC=C4)/C(=O)NC2=O 1 1.641 5 3 0 -2.06000101370507 6070913 COC1=CC=CC(=C1OC)/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.561 2 8 0 -22.1882691526739 6070887 CC1=CC\2=C(C=C1)N=C(/C2=C\C3=C(N4C(=NC3=O)SC(=N4)CC(=O)N5CCOCC5)N)C 1 1.693 6 3 0 -16.9801969074804 6070754 CC1=NN=C(C1=NNC2=CC=C(C=C2)OC)C 1 1.807 4 1 0 -2.80779558410268 6070699 C1=CC(=O)C=CC1=CNNC(=O)CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 -0.336 4 6 0 -10.741343265585 6070638 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NN=C3C(=O)NC(=O)NC3=O 1 -0.542 5 6 0 -25.6461381691843 6070636 COC1=CC=C(C=C1)/C=C/2\CCCC3C2=NC(=S)NC3C4=CC=C(C=C4)OC 1 5.669 2 2 -3.04446192052849 6070576 COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=CC=N2 1 2.788 2 2 -10.6721770448539 6070570 C1=CC=C2C(=C1)/C(=N/NC(=O)CNC(=O)C3=CC=CS3)/C(=O)N2CCC#N 1 0.962 5 3 0 -17.064812890689 6070546 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)/NCCN(C)C 1 0.792 4 3 0 -5.88644156779725 6070535 COC1=CC(=CC(=C1OC)OC)/C=C/C2=N/C(=C/3\C=CC=CC3=O)/NN2 1 2.114 3 4 0 -6.27844687147228 6070425 CCNC(=O)/C(=C/C1=C(N=C2C=CC=CN2C1=O)N3CC(OC(C3)C)C)/C#N 1 0.776 5 3 0 -24.6547996024868 6070358 CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=C(C(=C(C(=C2F)F)F)F)F 1 3.605 0 4 -0.334824062028379 6070340 C/C(=C\1/C=CC=CC1=O)/NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C4=CC=CC=C4 1 1.667 9 3 0 -22.4688697838642 6070317 C/C(=C/1\C(=O)NC(=O)N(C1=O)C2CCCCC2)/NNC(=O)C3=CC=CC=C3 1 1.691 4 4 0 -11.5416920497312 6070173 CC1(NC2=CC=CC=C2C(=O)N1N/C=C\3/C=C(C(=O)C(=C3)Br)OC)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.597 4 5 0 -3.08755632202765 6070162 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC(=C3)C)OCC(=O)N 1 1.235 4 6 0 -16.297523954341 6070085 CC1=CC=C(C=C1)C(=O)NC2=NC3=NC(=O)CC(N3N2)C4=CC=CC=C4 1 2.937 5 2 0 -5.63851344085143 6069571 C1CC(C(=O)NC1)C(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 -1.02 4 5 0 -16.4087562229283 6069586 CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC=CC=C4 1 2.017 3 6 0 -23.4316470527544 6069169 CS/C(=C\[N+](=O)[O-])/NC1=CC=C(C=C1)OC(F)(F)F 1 4.494 2 3 3.03588452892522 6069151 CC1=CC(=C(C=C1)N/N=C/2\C=C(C=CC2=O)C)C 1 3.966 2 1 -1.94316926090206 6069098 CCO/C=C/C(CNC(=O)C1=CC=C(C=C1)C(C)(C)C)(C(F)(F)F)O 1 3.131 1 3 -4.36129389881974 6068981 CC\1=NC2=CC=CC=C2/C1=C/NNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)NC4=CC=CC=C4OC 1 2.893 5 5 0 -7.06521988072325 6068891 CCN(CC)C1=CC(=O)/C(=C/NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC)/C=C1 1 1.946 4 5 0 -13.3955378529742 6068762 COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)SC(F)F 1 4.236 2 4 -15.2373241495235 6068730 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 3.219 2 8 0 -19.7933085301931 6068717 COC1=CC(=CNNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3)C=C(C1=O)OC 1 0.656 3 6 0 -4.48510724995578 6068648 C1=CC2=C(C(=C1)OCC(=O)NNC=C3C=CC(=O)C=C3)N=CC=C2 1 1.028 3 3 0 -9.11791417511352 6068485 COC1=C(C=C2C(=C1)/C(=C/NNC3=CC=CC=C3)/C(=N2)C(=O)OC)OC 1 2.496 3 4 0 -3.61588389671811 6068299 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=C(C=C5)C(=O)OC)/O 1 3.1 2 6 0 -9.9225975748927 6068249 CC1=C(C=C(C=C1)N2C3=[N+](C=CC(=C3)C(=O)NCCO)/C(=C(/NC4=CC=C(C=C4)OC(F)F)\[O-])/C2=S)C 1 4.468 4 4 0 -7.99869382109289 6068170 COC1=CC=C(C=C1)C2CC(N3C(=N2)C=C(N3)C(=O)NC4=CC=C(C=C4)OC)C(F)(F)F 1 2.694 4 3 0 -3.4464200082627 6067972 C1=CC=C(C=C1)/C=C/C2=NC(=NC=C2)SCC#N 1 3.259 3 0 -5.45577176223154 6067910 C1=CC2=NC=CN=C2C=C1NC(=O)/C=C/C(=O)O 1 0.658 3 3 0 -3.7177530483344 6067861 CN(C)/C=C(\C#N)/C(=O)C1=C(N=CC=C1)OC2=C(C=C(C=C2)F)F 1 2.923 3 2 -5.68786161691113 6067821 CC1=CC=CC(=C1)C2=C3C=C(C=CC3=NO2)C(=O)/C=C/N(C)C 1 3.811 2 2 5.84151656446574 6067738 C1=CC2=C(C(=O)N=C2C=C1)NNC(=O)C3=CC(=CC(=C3)NS(=O)(=O)C4=CC=CS4)NS(=O)(=O)C5=CC=CS5 1 1.664 5 6 0 -11.9057744707153 6067703 CC1=CC=C(C=C1)N/C(=C\2/C(=NON2)N)/N=O 1 1.274 5 2 0 -1.60691379311319 6066889 CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5CCCO5)/C2=O 1 3.649 3 4 0 -14.0084506031996 6066778 CC1=CC=C(C=C1)C2N=C(N=C3N2C4=CC=CC=C4N3)N 1 2.435 5 0 -1.33764525569989 6066728 C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-])C3=CC(=CC=C3)Br 1 2.042 4 6 0 -12.5701401338395 6066706 CC(C)CNC(=O)COC(=O)/C=C/C1=CC=CC=C1[N+](=O)[O-] 1 2.299 2 5 0 -11.0229836150953 6066695 C1=CC=C(C=C1)NN/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F 1 1.873 4 3 0 6.08585868019407e-002 6066649 C1C/C(=C\C2=CC=C(C=C2)Cl)/C3=C(C1)C(NC(=S)N3)C4=CC=C(C=C4)Cl 1 6.546 2 0 -13.2647165257321 6066493 C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)SCC(=O)NNC4=C5C=CC=CC5=NC4=O 1 3.558 5 2 0 -16.0921107266668 6066485 CN(C)/C=C/C(=O)/C=C/C1=CN(C2=CC=CC=C21)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.254 3 1 5.89128935136301 6066471 CN(C)/C=C/C(=O)C1=CN=C(S1)C2=CC(=CC=C2)Cl 1 3.061 2 1 6.62649784092718 6066318 C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)/C=C/C4=CC=C(C=C4)OC(F)F 1 3.32 4 2 2.42732406611153 6066314 CC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CO2 1 2.217 1 3 -2.70766163544288 6066296 CC(C)N1C2=CC=CC=C2N=C1N/C=C/3\C=CC=CC3=O 1 2.616 3 1 -4.9458984363227 6066161 CC1=CC=C(C=C1)NC(=O)CCC(=O)NN/C=C/2\C=CC(=O)C=C2O 1 0.291 3 4 0 -7.52890140067191 6066223 C1C(N2C(=O)C3=CC=CC=C3NC2=N1)CBr 1 1.688 3 1 0 -8.76326016351022 6066214 CC1=C(C=NN1C2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCN(C)C)C4=CC=CC=C4)/O 1 2.886 4 3 0 -6.17872924604508 6066132 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F 1 3.192 4 3 0 -4.39788120943547 6065961 C1=CC=C2C(=C1)N=C(O2)/C(=C/C3=C(C=CC=C3Cl)Cl)/C#N 1 4.916 2 1 -1.53222362795026 6065862 C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(C=C2)/C=C/C3=CC=C(C=C3)F 1 4.53 2 2 1.54838401031347 6065647 COC1=CC=C/C(=C\NNC2=NC(=NC(=N2)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCCC4)/C1=O 1 1.312 8 4 0 -2.49048976496347 6065564 COC1=CC(=O)/C(=C/2\CC(N(N2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4)/C=C1 1 2.558 2 3 -4.77428205791781 6065444 C1COC2=C(O1)C=CC(=C2)/C=C/C(=O)C3=CC=C(C=C3)O 1 3.245 0 4 0.89669590845508 6065050 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NN=C3C(=O)N(C(=O)N(C3=O)C)C 1 -0.356 6 4 0 -16.8227354714674 6065235 CC1CCCN(C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=C(C=C4)OC)OC)C)O 1 4.415 1 5 4.65219186357461 6065228 COC1=CC=CC=C1/C=C/C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.817 1 5 -7.2424133947656 6065026 C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=CC=N2 1 2.933 2 0 -7.05411826830982 6064956 COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NN2CCCCC2C3=CN=CC=C3)OC 1 3.367 4 3 0 -6.54205052386308 6064890 C1CC(=O)N(C1)CCCNC(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 0.823 3 6 0 -25.7323710896791 6064785 COC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.826 2 4 -4.24235585032081 6064643 CC1=CC=C(O1)C(=O)/C=C/C2=CC=CC=C2 1 3.242 0 2 4.04676365478192 6064372 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NN/C=C/2\C=C(C=CC2=O)Br 1 1.979 4 3 0 -12.3194299917206 6064009 COC1=CC=C/C(=C\NC2=NC3=CC=CC=C3N2)/C1=O 1 1.372 3 2 0 -0.212350442775845 6063973 C1CC2=C(C1)C=C(C=C2)OCC3=CC=C(O3)C(=O)NN/C=C/4\C=C(C=CC4=O)[N+](=O)[O-] 1 2.846 3 6 0 -8.69034006706267 6063866 CC1(CC(=O)C(C(=O)C1)C(=O)/C=C/NCCC2=CC=CC=C2)C 1 2.001 1 3 -6.51695157111518 6063910 C1CS(=O)(=O)CC1N(CC2=CC=CC=C2)C(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl 1 4.131 1 3 -7.59864546971359 6063713 COC1=CC(=O)/C(=C/NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C#N)/C=C1 1 3.262 3 2 -11.2313903107776 6063857 COC1=C(C(=C(C=C1)/C=C/C(=O)C2=CC=CN2)OC)OC 1 3.037 1 4 -7.48341479356679e-003 6063838 CC(=C)CNC(=S)NNC1=C2C=C(C=CC2=NC1=O)[N+](=O)[O-] 1 1.469 5 3 0 -10.592033788176 6063617 COC1=CC=CC(=C1OC)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 2.539 3 6 0 -14.5774793956989 6063507 CCCCN1C2=CC=CC=C2/C(=N/NC(=O)CN3C4=CC=CC=C4N=C3C(F)(F)F)/C1=O 1 4.221 5 2 0 -6.94947627281491 6063396 CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)NC23CC4CC(C2)CC(C4)C3 1 1.896 2 4 0 -12.4298922664333 6063342 COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)OC 1 3.652 0 4 -0.21242231213063 6063275 CCOC(=O)C1CCCN(C1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 2.473 1 6 0 -12.0370224070826 6063221 CCC1=NN2C(=N)/C(=C/C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)OC)/C(=O)N=C2S1 1 4.216 4 5 0 -27.9277352482484 6062931 CC1=C(C2=CC=CC=C2N1)C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/C#N 1 3.93 2 4 -5.63065598239275 6062721 COCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 0.944 3 9 0 -27.0689305323902 6062613 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2CCS(=O)(=O)C2)OC(F)F 1 1.509 1 7 0 -16.5519543363445 6062577 CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/C3=CC=CN3C)/SC2=S 1 3.661 3 3 -9.40146347129857 6062429 C1CC1C\2=NN=C(/C2=N\NC3=CC=C(C=C3)Cl)N 1 2.518 5 0 -0.878015538455285 6062426 C1CC1C\2=NN=C(/C2=N\NC3=CC(=C(C=C3)Cl)Cl)N 1 3.182 5 0 -0.963121922104506 6062168 C1=CC=[N+](C=C1)/C(=C(\C2=CC(=CC=C2)[N+](=O)[O-])/[O-])/C(=S)NC3=CC=CC4=CC=CC=C43 1 4.901 3 3 -6.3688593096608 6062005 C1CN(CCN1/C=C/C2=NN=NN2C3=CC=CC=C3)C4=CC=C(C=C4)F 1 2.967 6 0 -0.410709150588712 6061957 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)/NC2=O 1 2.9 3 6 0 -4.14636997027328 6061949 CCOCCCNC(=O)COC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32 1 2.261 2 6 0 -29.712637971383 6061887 C1C(=NC2=CC=CC=C2NC1=O)/C=C/C3=CC=CC=N3 1 2.278 3 1 -5.92644392619303 6061775 CCOC(=O)C1=CC=C(C=C1)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O 1 2.809 1 5 -8.5315375758498 6061600 CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)/C=C\3/C(=C(NC3=O)C)C(=O)OC)C 1 3.623 2 3 -11.442990175383 6061538 CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC(=C(C(=C5)OC)OC)OC)/O 1 2.566 3 7 0 -7.52572595101864 6061525 CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)/C=C/C3=C(C=C(C=C3)OC)OC)C 1 3.415 3 5 0 -15.1502838717187 6061423 CCN(CC)C1=CC=C(C=C1)/C=C/2\CCC(=C2N3CCOCC3)/C=C(\C#N)/C(=O)NC4=CC=CC=C4F 1 4.902 4 2 -19.0497139595799 6061415 CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NC 1 0.427 5 3 0 -24.8778899248997 6061068 C1=CC(=O)/C(=C/NNC(=O)N)/C=C1Br 1 -0.415 3 2 0 -4.43391420686916 6061070 C1=CC(=O)C=CC1=NC2=CC(=C3C(=C2[N+](=O)[O-])NON3)Cl 1 2.826 4 4 0 1.96551046251796 6060903 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)/C=C/C3=CC=CO3)Cl 1 1.946 2 5 0 -17.9591633698202 6061011 COC1=CC=C(C=C1)N/C=C/2\C=NNC2=O 1 0.498 3 2 0 -8.00034551442756 6060846 CC1=CC=C(C=C1)N/C(=C/[N+](=O)[O-])/SC 1 2.86 2 2 0.344481881378997 6060720 CC(C)(C)C1=C2C(C(=C(N=C2ON1)N)C#N)C3=CC=C(C=C3)Br 1 2.825 4 1 -9.72571344178946 6060654 CCCOC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=CC=C4F)/O)C 1 4.889 2 4 -5.94549294878878 6060317 CC\1=NC2=CC=CC=C2/C1=N/NC3=CC=CC(=C3)C(=O)O 1 2.942 3 2 -6.82195449090297 6060466 COC1=CC(=CC(=C1O)OC)/C=C\2/C(=O)N=C(S2)NC3=CC=C(C=C3)O 1 3.262 2 5 0 -3.9064224570137 6059942 C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)/C=C/C3=CC=C(O3)Br)Cl 1 4.862 2 4 -5.24442792980438 6060043 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3C=C2 1 3.185 3 5 0 -10.0972688574572 6060041 CCN(CC)CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=CC=C3OC)O 1 3.165 1 5 -1.0142583260827 6060028 CC1=C2C(N(C(=O)N=C2N(N1)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)OC 1 4.145 4 2 -7.69023563274159 6059727 CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OC(C)C(=O)N 1 2.145 3 3 -4.22401819929794 6059452 CC1=CC=CC=C1NC(=O)CN2C(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/NC2=O 1 2.862 4 5 0 -10.5037457386996 6059482 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3CN4CCOCC4)O 1 2.369 1 5 4.89583256258411 6059217 CC\1=NC2=CC=CC=C2/C1=C/NNC3=C(C=C(C=C3)F)F 1 2.938 3 0 1.17939321093006 6058877 CCN1C(=O)/C(=C\C2=C(C(=CC=C2)OC)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/SC1=S 1 4.728 3 7 0 -6.14475676296442 6057951 C/C=C/C(=O)OCC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C 1 1.36 2 5 0 -13.6292366434716 6057743 C/C(=C(/C#N)\C(=O)CSC1=NN=C(N1C)C2=CC=CC=C2)/N 1 1.53 5 1 0 -13.4075712405056 6057462 COC1=CC=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)NC3=NCCCS3 1 4.148 2 2 -6.71732595878968 6057403 CC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C)O 1 4.506 1 3 3.69845666620514 6057273 CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)N(C)C 1 1.49 3 6 0 -25.6034068205813 6057263 CCOC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2)[N+](=O)[O-] 1 3.309 2 4 -6.89959436548782 6057217 CC(=C1C=CC(=O)C=C1)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.325 3 5 0 -20.3874003503186 6056777 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)/C=C/C3=CC=CS3 1 1.547 2 6 0 -23.3764464528475 6056758 C1=CC2=NC(=O)C(=C2C=C1Br)NNC(=O)CN3C=CC(=N3)C(F)(F)F 1 1.44 5 2 0 -9.24980776199609 6056756 C1CC1C(=O)NNC=C2C=C(C(=O)C(=C2)Br)Br 1 1.005 2 2 0 -3.37985207588988 6056621 CCCC1CCC(CC1)C2=N/C(=C\C3=CC(=C(C=C3)OC)OC)/C(=O)O2 1 4.906 1 4 -12.3141216200948 6056275 CC1=C(SC=C1)/C=C/C2=NC3=CC=CC=C3C=C2 1 4.87 1 0 3.0136131287829 6056260 C1=CC=C2C(=C1)C=CC=C2/C=C\3/C(=O)NC(=O)S3 1 2.85 1 2 7.18905682070729 6056239 CC1=NN=C2C1=C(CC(C2)C3=CC=CC=C3)NO 1 1.417 3 1 0 -0.877976038127966 6055969 CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])/C=C/C2=CC=C(C=C2)N(C)C 1 1.52 4 4 0 -11.7667946047089 6055917 C1=CC=C2C(=C1)C(=NS2(=O)=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 0.331 4 5 0 -4.70068854437732 6055867 C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)NN/C=C/3\C=CC(=O)C(=C3O)O 1 2.134 2 3 -4.05863552016603 6055669 CCOC1=C(C=C(C=C1)/C=C/2\C(=NN(C2=O)C3=NC(=C(S3)C(=O)OCC)C)C)OC 1 3.126 3 5 0 -17.9733187704674 6055390 COCCNC(=S)NNC1=C2C=C(C=CC2=NC1=O)[N+](=O)[O-] 1 0.275 5 4 0 -13.0582125903508 6055355 CC1=CC=CC=C1/C=C/C23C(C4=CC=CC=C4N2CC(=O)N3)(C)C 1 4.254 2 1 -6.75298383246197 6055296 CN1C=CC=C1/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)Cl 1 4.136 3 2 -9.13833182958444 6055212 CN(C)CCNC1=C(N=C(O1)/C=C/C2=CC=CC=C2)C#N 1 2.499 4 1 -3.29010832296686 6055164 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC)OCC 1 3.48 2 7 0 -21.4930605615217 6055068 C1CC2=C(C1)SC3=C2C(=O)NC(=N3)/C=C/C4=CC=C(C=C4)C(=O)O 1 3.304 2 3 -15.4300122035018 6054974 CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4 1 2.141 2 6 0 -19.5354857951385 6054970 CCN1C(=CC(=C1C)/C=C/2\C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC(=C3)C)C 1 2.004 4 3 0 -9.88038147811092 6054911 C=CCOC1=CC(=O)/C(=C/NC2=CC(=CC=C2)Cl)/C=C1 1 3.068 1 2 -4.67632503792014 6054879 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)NC(=O)N2 1 3.295 2 3 -7.98428440093197 6054813 COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(O2)[N+](=O)[O-])OC 1 3.083 1 6 0 -1.11236282255675 6054788 C1COCCN1C2=C3C(=C(C(=C2)N=C4C=CC=CC4=O)[N+](=O)[O-])NON3 1 2.011 5 5 0 -1.40428454301627 6054761 CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)NCC4=CC=CO4 1 2.007 5 5 0 -27.8246040579726 6054733 CCC1(CC2=C(CO1)C=C3C(=N2)NC(=S)N(C3=O)C4=CC=CC=C4)C 1 3.761 3 2 -7.16214295111278 6054677 CC1=CC=CC=C1/C=C/C(=O)C2=CC=C(O2)[N+](=O)[O-] 1 3.602 1 4 4.05506681537559 6054676 CC1=CC=CC(=C1)/C=C/C(=O)C2=CC=C(O2)[N+](=O)[O-] 1 3.602 1 4 4.70172544084935 6054675 CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(O2)[N+](=O)[O-] 1 3.602 1 4 3.1682951809745 6054635 CC1=CC(=C(C=C1)N/C=C(\C2C3=CC=CC=C3C(=O)O2)/[N+](=O)[O-])C 1 3.574 2 4 -3.23959278251247 6054553 COC1=CC=C(C=C1)/C=C/C2=NN=C(S2)NC(=O)COC3=CC=CC=C3 1 3.3 3 3 -7.22824976721866 6054547 CC(=O)/C(=C/1\NC(=O)C(S1)CC2=CC=C(C=C2)F)/C#N 1 2.098 2 2 -7.58135899364879 6054440 COC1=C(C=C(C=C1)Cl)NC(=O)C2C/C(=C\3/C=CC=CC3=O)/NO2 1 1.485 2 4 0 -7.93325417094638 6054275 CC1=CC=CC=C1OCC2=NC3=CC=CC=C3C(=O)N2N/C=C/4\C=C(C=C(C4=O)[N+](=O)[O-])C 1 3.178 4 5 0 -6.04536547759483 6054155 CCCCN1C(=O)/C(=C(\CC)/NCCN2CCOCC2)/C(=O)NC1=O 1 0.749 4 4 0 -12.6456292574838 6053946 C1=CC=C(C=C1)C2=C(N(C=N2)CCC(=O)NNC=C3C=CC(=O)C=C3)C4=CC=CC=C4 1 2.956 4 2 -4.38954159293143 6053944 CC1CCCN(C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C)O 1 4.448 1 3 7.61458985572652 6053871 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3Cl 1 3.87 3 3 -10.6814200318982 6053932 CC1=C(/C(=C/NC2=CC(=C(C(=C2)OC)OC)OC)/CC(=O)N1)C#N 1 0.834 3 4 0 -12.9230967496255 6053808 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N 1 1.098 2 6 0 -21.6675821340531 6053811 CC(C(=O)OC)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=CC=C3)Br)/O2 1 4.059 0 5 -9.31245234284841 6053857 CC1=NN(C(=C1)NC(=O)/C=C/C2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4N3 1 3.756 5 2 0 -2.04540156375622 6053780 C1=COC(=C1)C2=CSC(=N2)/C(=C/C3=CC=C(C=C3)F)/C#N 1 4.065 2 1 -8.40401571455914 6053778 C1CS(=O)(=O)CC1N2C\3=C(CC/C3=C\C4=CC=CC=C4)C=N2 1 2.826 2 2 -10.2580602564548 6053437 CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=CS3)/O)C)C(=O)OC 1 2.233 3 5 0 -14.3381735128643 6053534 C1=CC(=CN=C1)CN/C=C/2\C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F 1 1.678 4 2 0 -6.29873183609928 6053492 COC1=CC=CC(=C1)N/C=C(\C#N)/C2=CC=C(C=C2)OCCCF 1 3.426 2 2 -6.23450427321542 6053390 C1=CC(=O)/C(=C/NNC(=O)CN2C=NC(=N2)[N+](=O)[O-])/C=C1Cl 1 -0.392 6 4 0 -9.18297050427112 6053292 CC1=C(C=C(C=C1)/C(=C(/C(=S)NC2=CC=C(C=C2)SC(F)F)\[N+]3=CC=CC=C3)/[O-])[N+](=O)[O-] 1 5.842 3 3 -6.31156539213955 6053242 CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])/C=C/C2=CC(=C(C=C2)OC)OC 1 1.325 3 6 0 -13.3861662296275 6053104 COC1=CC=C/C(=C\NNC2=CC=CC=C2C(=O)O)/C1=O 1 1.09 2 4 0 -2.99008569814686 6052865 CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/S(=O)(=O)C4=CC=C(C=C4)C 1 2.552 4 4 0 -19.3355239521367 6052797 CC1=CC=CC=C1OCCCN2C=C(C3=CC=CC=C32)/C=C\4/C(=N)N5C=C(SC5=NC4=O)C 1 5.006 4 2 -10.4449852971095 6052760 CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCC3)C4=CC=C(C=C4)Br 1 4.877 1 3 9.46021679611956 6052756 CN1C(=NN=C1SCC(=O)NN/C=C/2\C=C(C=C(C2=O)OC)[N+](=O)[O-])C3=CC=CC=C3 1 0.867 6 5 0 -9.40974712413007 6052744 C1CC(=O)N(N=C1C(=O)NCCN2C(=O)/C(=C\C3=CN=CC=C3)/SC2=O)C4=CC=CC=C4 1 1.328 5 4 0 -17.345630008767 6052723 COC1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 3.189 3 4 0 -12.7438533047891 6052679 CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N)C4=CC=CC=C4)C 1 5.512 4 2 11.0347353486934 6052666 C1=CC=C(C=C1)/C=C/NC(=O)C2=CC=CC=C2 1 2.556 1 1 -1.15612255473993 6052632 COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(N4C(=N3)N=CN4)C5=CC=CS5)C(=O)C2 1 1.965 4 4 0 -19.699141550312 6052520 C1CC(OC1)CNC(=S)NNC2=C3C=CC=CC3=NC2=O 1 1.022 4 2 0 -14.4636101370127 6052056 CCCN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)C3=CN=CC=C3)/C1=O 1 0.752 5 3 0 -14.9890044265974 6052040 C/C=C/C(=O)NCCC1=CC(=C(C=C1)OC)OC 1 2.345 1 3 -10.9735276093423 6051949 CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)C(C)C(=O)OC 1 3.66 1 7 0 -5.16080909480117 6051947 CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)/C=C/N(C)C 1 3.811 2 2 3.69546870115424 6051800 COC(=O)/C(=C\C(=O)C1=CC=CC=C1)/NC2=CC=CC(=C2)C(F)(F)F 1 4.07 1 3 4.52717777889201 6051703 CC1=CC(=C(N1CCC(C)C)C)/C=C(\C#N)/C(=O)OCC(=O)NC(=O)NCC=C 1 2.619 4 4 0 -22.7114038964167 6051700 C/C(=C(/C#N)\C(=O)COC(=O)CC12CC3CC(C1)CC(C3)C2)/N 1 1.733 2 3 0 -10.852725216987 6051688 CCC1=CC(=O)OC2=C1C=CC(=C2CNC(CC3=CC=CC=C3)C(=O)O)O 1 0.914 1 5 0 -3.31129035002726 6051598 C1=CC=C(C=C1)CNC(=O)N/C=C/C2=CC=CO2 1 1.867 2 2 0 -3.77182438157477 6051367 C1=COC(=C1)/C=C/C(=O)C2=CC=C(C=C2)O 1 2.855 0 3 3.34417596847413 6051336 C=CCN1C2=CC=CC=C2/C(=N/NC3=CC=CC=C3)/C1=O 1 3.352 3 1 -7.08084259578515 6051238 C1CCC2=NN/C(=C(\C=C\3/C=NC4=CC=CC=C43)/C#N)/N2CC1 1 2.388 5 0 -9.0431253593804 6051210 C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)/NC2=O 1 3.723 2 5 0 -5.65437789762576 6051156 CC1(C(=O)N(C(=O)N1)N/C=C/2\C(=O)C=CC3=CC=CC=C32)C4=CC=C(C=C4)OC(F)F 1 2.901 3 4 0 1.49679659082033 6051026 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NCC3CCCO3 1 2.734 3 5 0 -24.9486901574706 6050862 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)Cl)C4CCS(=O)(=O)C4 1 1.456 3 7 0 -19.1711757536177 6050647 C1=CC=C2C(=C1)C(=CN2CC(=O)O)/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CO4 1 1.816 3 6 0 -9.1375705544758 6050575 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCN3C(=O)/C(=C/C4=CC=C(C=C4)OC)/SC3=O 1 2.592 3 6 0 -16.3091567752333 6050449 C1=CC(=CC=C1C2=NN(C=C2/C=C/C(=O)C3=CC=C(C=C3)Cl)CCC(=O)O)Br 1 5.441 2 3 1.7331338954819 6050443 C1=CC=C2C(=C1)NC(=N2)/C=C/C3=C(C=C(C=C3)Cl)Cl 1 5.067 2 0 7.59249267931069 6050117 CC1=C(N2C=CC=CC2=N1)C(=O)/C=C/C3=CC=C(C=C3)OC 1 3.137 2 2 -1.86310271258152 6050062 CC1=CC=C(C=C1)N=C2/C(=C/NOC(=O)C)/C(=O)N3C=CC=C(C3=N2)C 1 1.452 4 3 0 -7.47908199039132 6049780 CC1=NN2C(=C(NC2=NC(=O)C1Br)C3=CC=CC=C3)C4=CC=CC=C4 1 3.001 4 1 -6.73221720110851 6049729 CCC1=NN2C(=N)/C(=C/C3=C(N(C(=C3)C)C4=CC=CC=C4)C)/C(=O)N=C2S1 1 4.265 5 1 -17.3320558075748 6049677 CC1=CC=C(C=C1)N2C(=O)/C(=C\C=C\NC3=CC=CC=C3)/C(=O)NC2=O 1 2.942 3 3 4.5364588429186e-002 6049611 CC(C(=O)O)OC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)N4CCOCC4)S2)C)OC 1 3.768 3 6 0 -12.5124460954685 6049501 C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(C=C2)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 4.219 3 4 0 -0.544919358613281 6049421 COC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)/C=C/C3=CC=CO3 1 2.181 1 5 -11.8357624192878 6049359 C1=CC=NC(=C1)/C=C/C(=O)C2=C(C=CC(=C2)Br)O 1 3.486 1 2 6.35075405635447 6049204 CCOC1=CC=C(C=C1)N\2C(=O)CS/C2=C(\C(=C(Cl)Cl)Cl)/[N+](=O)[O-] 1 3.801 2 4 -1.72487446537487 6049170 C1CC1NC(=O)/C=C/C(=O)O 1 0.106 1 3 0 -8.11218198743904 6049145 COC1=CC(=CC(=C1OC)OC)/C=C/C2=NC3=CC(=C(C=C3S2)SC)OC 1 4.782 1 4 -1.53251763926808 6048817 CC1=NN=C(C1=NNC2=C(C=CC(=C2)Cl)Cl)C 1 3.152 4 0 0.512056458409047 6048888 CC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-] 1 2.794 2 4 -2.89184027412421 6048412 CC1=NN(C(=C1/C=C/C(=O)C2=CC=CC=C2)Cl)C3=CC=CC=C3 1 4.67 2 1 2.79537547595532 6048314 CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br 1 3.822 3 7 0 -7.69860661410235 6048187 CC1(CC2CC(C1)(CN2C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)O)OC)C)C 1 3.202 1 5 -11.4750074476879 6048130 CC(C)(C)C1=CC(=CNOCC(=O)NC(C)(C)C)C=C(C1=O)C(C)(C)C 1 2.731 2 3 -8.91213602546203 6048126 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)ONC2=NCCCCC2 1 2.386 3 3 -12.3439432927064 6047875 C1=CC=C(C=C1)C(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.236 3 2 0 1.7059763122227 6047871 CC1=CC=C(C=C1)C2=N/C(=C\NC3=CC=C(C=C3)O)/C(=O)O2 1 2.898 2 3 -5.5180227039712 6047829 CC1=CC=C(C=C1)C2=N/C(=C\N3CCCCC3)/C(=O)O2 1 2.738 2 2 -7.30313366846627 6047790 C1CC(C2=CC=CC=C2C1)NC(=O)/C=C/C3=CC=CC=C3 1 4.105 1 1 -6.4965895429826 6047619 COC1=CC=C(C=C1)C2CC(N=C3N2NN=N3)C4=CC=CS4 1 3.408 5 1 -2.76135828749291 6047409 CCCCCCCCOC(=O)C1=C(N=C2N=NNN2C1C3=CC=CS3)C 1 5.168 5 2 0 -20.5636375254604 6047289 CCON/C(=C\1/C(=O)C=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)/C 1 2.685 2 3 -1.85876006503243 6046931 CN1CCN(CC1)C(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC(=C(C=C3)OC)OC 1 0.974 4 4 0 -20.6162928620593 6046631 CC1=CC(=C(N1C)C)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)F 1 3.205 1 3 -5.08225899372978 6046435 C/C(=C(/C#N)\C(=O)COC(=O)CCC1CCCC1)/N 1 1.514 2 3 0 -14.7729217068055 6046543 CCC(C)N1C(=O)/C(=C\C2=CC=C(C=C2)N3CCCCCC3)/C(=O)NC1=S 1 4.755 3 2 -2.0725132845059 6046186 COC(CN1C(/C(=C(/C2=CC=CC=C2)\O)/C(=O)C1=O)C3=CC=CC=N3)OC 1 1.485 2 5 0 -9.24555191638695 6045902 CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)OC(=O)/C=C/C4=CC=C(C=C4)OC(F)F 1 5.566 1 6 0 -11.607773824691 6045961 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)O)OC)C 1 2.717 2 7 0 -13.9931027156242 6046082 C1C2CC3CC1CC(C2)(C3)C(=O)NN/C=C/4\C=C(C=CC4=O)[N+](=O)[O-] 1 1.64 3 4 0 -4.44780575326364 6045771 CCOC1=CC=CC=C1/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O 1 4.393 1 3 -1.78179491211865 6045522 CC(=C)COC1=CC(=O)/C(=C/2\C(=CNN2)OC3=CC=C(C=C3)OC)/C=C1 1 1.599 2 4 0 -8.00834543736933 6045577 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC(=C3)C)O 1 2.155 3 5 0 -6.49920895140952 6045441 CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C 1 4.094 2 4 -11.7065919173275 6045307 CCOC(=O)C1=C(/C(=C\2/CSC(=NN2)NC3CC3)/N=C1C)C 1 1.337 4 2 0 -16.1144085596293 6044897 CCOC1=CC=C(C=C1)C2/C(=C(\C3=CC=NC=C3)/O)/C(=O)C(=O)N2CCCN(C)C 1 1.759 3 4 0 -7.14197041602974 6044740 CC(C)(C)OC(=O)C(CCSC)N/C=C/1\C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)F 1 1.789 3 5 0 -15.9430180102003 6044497 CC1=CC(=C(C=C1)C)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)O 1 3.804 2 3 -3.56341132637574 6043980 C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)O)/C1=C/C4=CC=C(C=C4)C#N 1 2.71 3 3 -8.00422496052542 6043911 CC\1=NC2=CC=CC=C2/C1=C/NNS(=O)(=O)C3=CC=CC=C3 1 1.465 3 2 0 -6.35337111369844 6043867 CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)NC(=O)S3 1 3.263 1 5 4.21666848714566 6043764 CCCCC(=O)NN/C=C/1\C(=O)NC(=O)N(C1=O)CCC2=CC=CC=C2 1 1.138 4 4 0 -11.3669660015919 6043656 C1=CC=C2C(=C1)C=CC(=N2)/C(=C/C3=CC=C(C=C3)C#N)/C(=O)C(=O)O 1 3.776 2 3 -4.94593044136412 6043545 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)/C=C/C2=CC=CS2 1 1.741 2 3 0 -11.9520404513508 6043326 COC1=C(C=CC(=C1)/C=C(\C#N)/C2=CC=CC=N2)OCC3=CC=CC=C3Cl 1 5.148 2 2 -10.9362508847708 6043210 COC1=CC=C(C=C1)/C=C/2\C(=O)NC3=C(S2)C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4 1 4.131 2 3 -10.9125417778742 6042878 C1CCC2=N/C(=C\C3=CN=CC=C3)/C(=O)N2CC1 1 1.224 3 1 0 -9.51081919859621 6042632 CCC1CSC(=N1)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 4.971 2 3 -5.64450481966367 6042690 CCO/C(=C(\C(=O)C)/SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N)/O 1 5.311 2 3 -5.71150613943187 6042599 CC1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5CCCO5 1 3.007 1 6 0 -12.4256289947054 6042498 CC1=C(C=CC(=C1)CCCC2=NN=C(O2)SCC(=O)NN/C=C\3/C=C(C(=O)C(=C3)OC)CC=C)OC 1 3.314 4 5 0 -15.307111983267 6042317 COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC4=C5C=C(C=CC5=NC4=O)[N+](=O)[O-] 1 2.942 5 7 0 -12.6425466958954 6042139 C1=CC=NC(=C1)NN/C=C/2\C=C(C=C(C2=O)[N+](=O)[O-])Cl 1 1.271 4 3 0 0.444085503813027 6042107 CC1=C2C(C3=C(C4=CC=CC=C4C3=O)N=C2N(N1)C5=CC=CC=N5)C6=C(C=CC=C6Cl)F 1 4.203 4 1 -9.00159886546978 6041727 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)COC(=O)/C=C/C3=C(N(N=C3C)C4CCS(=O)(=O)C4)Cl 1 3.68 3 5 0 -16.1640757215605 6041389 CC(C(=O)O)OC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=NC3=CC=CC=C3)S2)CC4=CC=CO4)OC 1 4.683 2 6 0 -13.9445302316115 6041430 CC1=C(C(=CC=C1)C)OCC(=O)NNC2=C3C=C(C=CC3=NC2=O)Br 1 2.376 3 3 -9.55346911955036 6041256 CC1=CC(=O)/C(=C/2\CC(=NC3=CC=CC=C3N2)C4=CC=C(C=C4)[N+](=O)[O-])/C=C1 1 4.116 3 3 -10.5125618006795 6041091 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NCCC2=CCCCC2)O 1 3.282 1 5 -10.6112022177796 6040904 CC1=C(C(=NO1)C2=CC=CC=C2)C3=N/C(=C\C4=C(C(=CC=C4)OC)OC)/C(=O)O3 1 3.826 2 5 0 -8.30991597095419 6040835 CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=CC(=C(C=C2)OC(F)F)OC)/C#N)C 1 4.551 2 5 0 -12.9578751069846 6040833 CCOC1=CC2=C(C=C1/C=C/3\C(=O)N(C(=O)N3)CC(=O)OC)OCO2 1 0.75 2 7 0 -10.5601534916932 6040720 CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C/NNC(=O)C4COC5=CC=CC=C5O4)/C2=O 1 2.739 3 6 0 -7.0111077126073 6040562 CCN1C2=CC=CC=C2/C(=N/NC3=NC4=CC=CC=C4C=C3)/C1=O 1 3.172 4 1 1.63276956373942 6040506 C1=CC=C(C=C1)CC(=O)NCC(=O)NNC2=C3C=C(C=CC3=NC2=O)Br 1 0.663 4 3 0 -13.5924220898724 6040412 COCCN=C1N(C(=CS1)C2=CC=CO2)N/C=C/3\C=CC(=O)C(=C3O)O 1 0.168 3 5 0 -5.6443929784363 6040337 CC1=C(C=C(C=C1)C(=O)O)N/C=C/2\C=C(C=C(C2=O)Br)Br 1 3.12 1 3 -4.73750239635571 6040221 COC1=CC=CC(=C1)/C=C(\C#N)/C(=O)NC2CCS(=O)(=O)C2 1 0.836 2 4 0 -18.1236962445313 6040156 CC1=CC(=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCCO3)O 1 3.731 0 4 2.04868374380569 6040144 CCON/C(=C\1/C(=O)C2=CC=CC=C2N(C1=O)C)/C 1 0.946 2 3 0 -0.253339649055734 6040123 CC(C)OC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NN/C=C/4\C=CC(=O)C(=C4)OC 1 3.537 3 4 0 -8.50225132687473 6040120 CCOC1=CC=C(C=C1)/C=C/2\CCC(C2=O)C3CCCC3 1 4.813 0 2 -2.52872454369867 6040047 CCN1C(=NC2=C1C=CC(=C2)C(=O)NN/C(=C/3\C=CC=CC3=O)/C)C 1 1.851 4 2 0 -6.66121111744919 6039978 CC1=CC2=CC=CC=C2N1CCNC(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 3.766 2 3 -14.8788996401997 6039861 CN1C(=O)/C(=C\C2=CC(=CC=C2)OCC3=CC=CC=C3)/SC1=S 1 4.614 1 2 -5.62839761959676 6039611 CC\1=NC2=CC=CC=C2/C1=C/NN3C(=CSC3=NCCOC)C4=CC(=C(C(=C4)OC)OC)OC 1 2.555 4 4 0 -9.78397757769729 6039579 COC1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)CC(=O)OC 1 3.054 2 4 -11.0351143950429 6038833 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.093 3 5 0 -11.9465085509099 6038790 COC1=CC=C(C=C1)/C=C/C2=NN=C(S2)NC(=O)CSC3=CC=C(C=C3)Cl 1 4.523 3 2 -5.24157611420138 6038768 CC1=CC=C(S1)C2=N/C(=C\C3=C(NC4=CC=CC=C43)C)/C(=O)O2 1 3.85 2 2 -7.22758072805686 6038751 CC(C)N(C(C)C)C(=O)CN1C=CC(=C[NH+]=O)C=C1 1 0.351 3 2 0 -4.26642138276568 6038696 CC1=CC=C(O1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCCC4 1 2.027 5 3 0 -19.2539088906322 6038646 C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)O)/C1=C/C4=CC=C(C=C4)C(F)(F)F 1 3.774 2 3 -1.78271892352244 6037979 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NNC(=C4C=CC(=O)C=C4)O3 1 2.301 3 5 0 -16.0460866259125 6037799 CC1=C(C(=CC=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NC4CCS(=O)(=O)C4)C 1 1.958 4 5 0 -22.6552785595162 6037379 CC(=O)OC1=CC=C(C=C1)/C=C/2\C(=O)C3=CC=CC=C3O2 1 2.904 0 4 -3.39416199092163 6037227 CCCCOC(=O)CCN1C(=O)/C(=C\2/C(=O)N(C(=S)S2)CCC(=O)OCCCC)/SC1=S 1 4.846 2 6 0 -13.2541314365543 6037086 C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC2=CC=CC=C21)/N 1 1.715 2 3 0 -10.376131117565 6037218 COC1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5=CN=CC=C5 1 2.578 2 6 0 -9.60599456594515 6037043 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=C(C=C2)OC)OC)/C3=NC4=CC=CC=C4N3 1 4.68 3 3 -3.9569241423485 6036913 CC1=CC=C(C=C1)N2C(=O)/C(=C\NN3CCCCC3C4=CN=CC=C4)/C(=O)NC2=S 1 2.54 5 2 0 -7.40935352850299e-002 6036769 CC1=CC=C(C=C1)N/C=C(\C#N)/C2=CC=C(C=C2)OCCCF 1 3.929 2 1 -5.775993134912 6036733 CC(C)(C)C1=CC2=C(C=C1)O/C(=C\C3=CC=CC=C3)/C(=O)N2CC(=O)NCCOC 1 3.052 2 4 -8.8559391114638 6036657 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)/C=C/C3=CC=CS3)N4CCOCC4 1 3.357 3 5 0 -12.504932364619 6036600 CCC(=C1C=CC(=O)C=C1)NNC2=C3C=CC(=CC3=NC=C2)Cl 1 3.66 3 1 1.78085142326179e-003 6036343 CCON/C(=C\1/C(=O)C=C(N(C1=O)C2=CC=CC=C2)C(C)C)/C 1 2.293 2 3 -2.78496799011815 6036259 C1CCC2=NN/C(=C(/C#N)\C(=O)C3=CC=CS3)/N2CC1 1 2.141 4 1 -13.5324819247207 6036201 C1CC(OC1)CNC(=S)NNC2=C3C=C(C=CC3=NC2=O)Br 1 1.475 4 2 0 -13.1721883396891 6036173 C1=CC(=CC(=C1)Cl)CN/C=C\2/C(=NNC2=O)C(F)(F)F 1 2.075 3 1 -6.96727144728222 6036124 CC1=CC=CC(=N1)/C=C/C2=C(C(=NO2)C)[N+](=O)[O-] 1 2.299 3 3 3.11267543801372 6036042 CCC1=CC=C(C=C1)OCC(=O)O/N=C(/CC2=CC=C(C=C2)[N+](=O)[O-])\N 1 3.093 3 5 0 4.62393788724925e-002 6036027 CC1=C(C(=NO1)C2=CC=CC=C2)C3=N/C(=C\C4=CC=CC=C4F)/C(=O)O3 1 4.065 2 3 -6.07549074700739 6035986 CC1=C(C=C(C=C1)C(=O)O)NN=C2C(=O)NC(=O)NC2=O 1 0.769 4 5 0 -13.2794922242851 6035979 COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=N2 1 2.963 1 2 -1.45940242887852 6035880 CC1=CC(=C(C=C1)N/C=C\2/C3=CC=CC=C3C(=O)S2)C 1 3.994 1 1 -3.52028633592162 6035873 CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NN/C=C\2/C=CC=N2 1 0.685 4 2 0 -10.1545217492449 6035804 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)/C(=C(\C)/N)/C#N 1 1.442 5 1 0 -16.0500856937896 6035768 CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NN3CCN(CC3)C 1 3.29 4 2 -11.7279422509172 6035592 C1=CC=C(C=C1)C2=C(N(C=N2)CCC(=O)NN/C=C/3\C=CC=CC3=O)C4=CC=CC=C4 1 2.956 4 2 -7.06413602780177 6035472 COC1=CC=C(C=C1)/C=C/2\C(=O)NCC(=O)N2CC3=CC=CC=C3 1 1.789 2 3 0 -5.62443737888029 6035171 COC(=O)C1=CC=CC=C1NC2=C/C(=N\S(=O)(=O)C3=CC=C(C=C3)C(=O)O)/C4=CC=CC=C4C2=O 1 3.744 2 7 0 -7.97257725838945 6035146 CCN(CC)C1=CC(=O)/C(=C/NN2C(=O)C3=CC=CC=C3C2=O)/C=C1 1 1.299 3 3 0 -4.44912818888044 6034991 CCOC(=O)CN/C=C(\C#N)/C1=CC=C(C=C1)F 1 1.403 2 2 0 -10.5834460873062 6034014 CC1=C(C(=NN1C)C)CN(C)C(=O)C2=C(C3=NC(CC(N3N2)C(F)(F)F)C4=CC=CS4)Br 1 2.317 6 1 0 -3.85883927924609 6033930 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=NC=C3)F 1 3.541 2 2 -3.94923378867965 6033782 COC1=CC=C(C=C1)CCCC2=NN=C(O2)SCC(=O)NN/C=C\3/C=C(C(=O)C(=C3)OC)CC=C 1 2.828 4 5 0 -16.7563460968687 6033337 CC(C(=O)NN/C=C/1\C=C(C=C(C1=O)OC)Br)N2C=C(C(=N2)OC)[N+](=O)[O-] 1 0.55 5 6 0 -5.01093270032723 6033330 CCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCCN5CCOCC5 1 3.363 2 7 0 -13.7604552169825 6032438 COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O)CN3CCOCC3 1 3.204 1 4 -0.546527386998895 6032129 CCOC(=O)COC1=C(C=C(C=C1Br)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCCC3)OC 1 2.646 2 7 0 -17.0568635753666 6031997 CC1=C(C=NN1C)/C=C/C(=O)C2=CC=C(S2)Cl 1 2.909 2 1 3.39373292196282 6031948 CN(C)C1=CC=C(C=C1)/C=C/C2=NC3=CC(=C(C=C3S2)SC)OC 1 4.994 2 1 -1.07447110982544 6031825 CC1=CC=CC=C1NC(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-] 1 3.541 2 3 -2.33328721967948 6031733 CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)/C=C/C3=CC4=C(C=C3)OCO4 1 4.016 1 6 0 -18.1475200982785 6031732 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)/C=C/C2=CC=CS2 1 2.557 2 5 0 -19.6581523753053 6031681 CCN(CC)C1=CC(=O)/C(=C/NNC2=NC(=CC(=N2)C)C)/C=C1 1 0.911 5 1 0 -3.18537267517246 6031301 CC\1=NOC(=O)/C1=C/C2=CC(=C(C(=C2)Cl)OCC#C)OC 1 3.536 1 4 -1.14508334888253 6031246 CCCCN(CCCC)C(=O)C\1=NSN/C1=C\2/C=CC=CC2=O 1 2.997 3 2 -10.9616531279155 6030757 CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C4C(=N3)C5=CC=CC=C5N4 1 4.692 4 1 -12.0914432385697 6030523 CC1=C(/C(=C(/CC2=NC3=CC=CC=C3C=C2)\NN)/C=CC1=O)O 1 1.782 3 2 0 1.32014473611652 6030387 CCN(CC)C1=CC(=O)/C(=C/NN=C(C2=CC=CC=C2)C3=CC=CC=C3)/C=C1 1 3.932 3 1 -5.9910995635917 6030241 CC1=C(C=C(C=C1)Cl)NC(=O)C2=CNN3C2=NC(CC3C(F)(F)F)C4=CC=CO4 1 2.896 4 2 -7.31198721220781 6030201 CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)Br)C 1 3.572 4 2 -14.5457697064841 6030116 C1=CC=C2C(=C1)C3=CC=CC=C3N2NC=C4C=CC(=O)C=C4 1 3.497 2 1 1.54039845584856 6030076 CC1=CC=C(C=C1)C2C3=C(NOC3=NC4=C2C(=O)CC(C4)(C)C)C 1 2.851 2 2 -17.5968026282418 6029565 C1=CC=C(C(=C1)C(=O)NNC(=O)CON/C=C/2\C=CC=CC2=O)Cl 1 0.576 3 4 0 -11.3837965802322 6029502 CCOC(=O)C1=CC=C(C=C1)N/C=C\2/CCCC(C2=O)C 1 3.233 1 3 -7.48258503607449 6029451 C1CCC2=NN/C(=C(/C#N)\C(=O)C3=CC=C(C=C3)[N+](=O)[O-])/N2CC1 1 2.082 5 3 0 -14.8271600475077 6029410 COC1=CC(=CNNC2=NN=C(C=C2)Cl)C=C(C1=O)OC 1 0.305 4 3 0 1.00753477224782 6029026 CC1=CC=C(C=C1)C2CC(N3C(=N2)C(=CN3)C(=O)NC4=C(N(N=C4C)CC5=C(C=CC=C5Cl)F)C)C(F)F 1 3.98 6 1 0 -7.25438295699646 6028554 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CC4=CC=CO4)O 1 2.294 1 4 2.44032549711926 6028340 CC(C(=O)NN/C=C/1\C=CC(=O)C(=C1)OC)N2C3=CC=CC=C3N=N2 1 0.841 5 3 0 -7.07495903666634 6028091 COC1=CC(=CNNC(=S)NCCN2CCOCC2)C=C(C1=O)OC 1 -0.243 4 4 0 -7.71290509323918 6028034 CC1CCCC(C1C)NC(=O)/C=C/C2=C(C=CC=C2Cl)F 1 4.805 1 1 -8.60911217364526 6028021 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)/C=C/C3=CC=CC=C3 1 2.336 3 2 -7.55827219177221 6027838 COC1=CC=CC=C1/C=C/2\CCCC3=C2N=C4N=NNN4C3C5=CC=CC=C5OC 1 4.999 5 2 0 -7.40250615883028 6027881 CN1CCN(CC1)C(=O)/C=C/C2=CC(=CC=C2)Cl 1 2.333 2 1 0.96198583230708 6027683 CCOC1=CC=C/C(=C\NNS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])/C1=O 1 1.127 3 6 0 -10.4177004338863 6027583 CC1=CC(=NO1)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC(=C4)C(F)(F)F 1 3.335 3 3 -7.32406367661641 6027468 CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC(=C(C(=C5)OC)OC)OC)/O 1 2.589 2 8 0 -13.7143635111848 6027465 C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/3\C4=C(C=CC(=C4)Br)NC3=O)/SC2=S 1 3.247 3 4 0 -11.4680715751915 6027453 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NN/C=C/3\C=C(C=C(C3=O)Br)Br 1 0.717 3 5 0 -19.4299929109852 6027441 C1=CC(=CC=C1NC(=O)/C(=C/C2=CC=C(O2)[N+](=O)[O-])/C#N)F 1 2.541 3 4 0 -12.193966815759 6027420 CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)N 1 1.998 3 1 0 -12.2386561019714 6027080 C1CN(CCN1CCC(=O)NNC=C2C=CC(=O)C=C2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.749 4 2 -7.02901159310423 6027053 CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CC(=CC=C3)OC)C(=O)N 1 -0.247 5 3 0 -9.6135916761823 6026898 CC1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)/C=C/C2=CC=CS2 1 2.227 2 3 -12.6262397867202 6026917 CCO/C(=C/1\C(N(C(=O)C1=O)CCCN2C=CN=C2)C3=CC=C(C=C3)OC)/O 1 1.429 3 5 0 -4.47927031000108 6026627 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)/C(=C/C3=CC=CC=C3)/C#N 1 4.374 3 1 -10.3906373730925 6025792 CCN1C2=CC=CC=C2/C(=N/NC(=O)CC3=CSC(=N3)N4CCOCC4)/C1=O 1 1.009 5 3 0 -7.53464764513545 6025708 CCN1CCN(CC1)C(=O)/C=C/C2=CC(=CC=C2)Cl 1 2.682 2 1 -0.644670071143784 6025484 CC\1=NOC(=O)/C1=C/C2=CC(=C(C=C2)OC)Cl 1 2.361 1 3 1.74310860599094 6025063 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)NN/C=C/4\C=C(C=C(C4=O)[N+](=O)[O-])Cl 1 2.528 5 4 0 -5.95984021290445 6024617 C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(C=C2)/C=C/C3=CC=C(C=C3)Cl 1 4.989 2 2 2.65850567543503 6024373 C1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=C(C=C2)F)/NC3=CC=CC=N3 1 3.62 3 2 -7.09502844202465 6024318 CCOC1=CC(=O)/C(=C/NNC2=NN=C(C=C2)Cl)/C=C1 1 0.966 4 2 0 -2.67628579603057 6023871 CC1CN/C(=C\C(=O)C2=CC=CC=C2)/C(=O)N1 1 0.822 2 2 0 -4.77615810465464 6023832 COC1=CC=CC(=C1)/C=C/C(=O)NNC(=O)CCN2CCN(CC2)CC3=CC=CC=C3 1 2.453 4 3 0 -3.68078148532728 6023797 CC1=CN=C(C=C1)N/C=C/2\CCCCC2=O 1 1.969 2 1 0 -4.83640750215501 6023694 C1=CC=C2C(=C1)/C(=N/S(=O)(=O)C3=CC=C(C=C3)C(=O)O)/C=C(C2=O)NC4=CC=CC=C4F 1 4.094 2 5 0 -3.16681292275046 6023693 CC1=CC=CC=C1NC2=C/C(=N\S(=O)(=O)C3=CC=C(C=C3)C(=O)O)/C4=CC=CC=C4C2=O 1 4.375 2 5 0 -3.07207666950053 6023689 C/C(=N\S(=O)(=O)C1=CC=C(C=C1)Cl)/N 1 1.244 2 2 0 -3.36808819894504 6023602 CN1CCN(CC1)NC(=O)/C=C/C2=CC=C(C=C2)Br 1 1.925 3 1 0 -0.655568134624391 6023591 COC1=C/C(=C/NNC(=O)NC2CCCCC2)/C=CC1=O 1 0.884 3 3 0 -5.87679882394184 6023229 C1C(C(CS1(=O)=O)O)N/N=C\2/C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4 1 1.163 3 4 0 -4.26609479360499 6023195 COC1=C(C=C(C=C1)/C=C/2\C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCCCN4CCOCC4)OC 1 2.139 3 5 0 -16.7214361997651 6023152 CCN1CCCC1CNC(=O)C2=CC3=C(C=C2)S/C(=C/C4=CC(=C(C=C4)OC)OC)/C(=O)N3 1 3.227 3 4 0 -19.5126910224812 6022975 C1CC2C(N(N=C2/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C1)C(=O)C4=CC=CC=C4C(=O)O)C5=CC(=CC=C5)[N+](=O)[O-] 1 5.286 4 7 0 -15.0525240059306 6022905 C1=CSC(=C1)C2C=C(N=C3N2NC(=N3)CCCO)C4=CC=C(C=C4)Br 1 3.282 4 1 -2.22935313995119 6022823 CC(C)COC(=O)CCN1C(=O)/C(=C\2/C(=O)N(C(=S)S2)CCC(=O)OCC(C)C)/SC1=S 1 4.572 2 6 0 -13.5071362948286 6022822 CC1CN(CC(O1)C)/C=C/C(=O)C(F)(F)F 1 1.581 1 2 0 -5.33587442491285 6022682 CC1=C(NN=C1C2=CC=CC=C2)C(=O)NNC3=C4C=CC=CC4=NC3=O 1 2.284 5 2 0 -2.18014921264056 6022464 C/C=C/C(=O)OCC(=O)NC1=CC(=CC=C1)Br 1 2.505 1 3 -4.89109728321234 6022215 CC(C1=CC=CC=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC)/C#N 1 3.161 2 3 -15.6467774868198 6022095 COC1=CC=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OC)OC 1 3.068 1 6 0 -13.284053357572 6022020 COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2CCS(=O)(=O)C2)OC 1 0.819 2 5 0 -22.4595752014046 6021918 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)/C=C/C2=CC=CO2 1 2.546 2 7 0 -12.5703351125297 6021744 CC(C)(C)C1=N/C(=C\C2=CC=C(C=C2)N(C)C)/C(=O)O1 1 3.357 2 2 -7.68423972685803 6021734 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3CCC=CC3)/C#N 1 2.242 4 2 -20.2208868449228 6021157 CC1=C(SC=N1)C(=O)N2C(C3CCC/C(=C\C4=CC=CC=C4)/C3=N2)C5=CC=CC=C5 1 4.897 3 1 -14.041683425085 6021102 CCC1=CC=C(C=C1)C(C)NC(=O)/C=C/C2=CC=C(C=C2)Br 1 5.157 1 1 -5.09132988636611 6020951 CC\1=NOC(=O)/C1=C/C2=CC(=C(C(=C2)Br)OCC#C)OC 1 3.62 1 4 0.523360242838544 6020915 C1=CC(=CC(=C1)O)/C=C/C(=O)C2=CN=CC=C2 1 2.309 1 2 1.490702995064 6020866 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)CCCN3C=CN=C3 1 1.823 4 2 0 -0.187391066850681 6020765 C1CN/C(=C/2\C=C(C=CC2=O)Cl)/C=C(N1)C(C(F)F)(F)F 1 1.304 2 1 0 -6.80811250424004 6020429 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CCC2)C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC 1 3.024 2 8 0 -7.57608075274289 6020412 CC1=CC(=C(C=C1)N/C=C\2/C(=C(C(=O)N(C2=O)CCC3=CC=CC=C3)C#N)C)C 1 4.262 3 2 -5.48789282338936 6020348 CC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2OC 1 2.805 1 3 -2.78471648581565 6020328 CC1CCCC(N1C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.188 2 4 -21.5555141272501 6020054 COC1=CC(=C/C(=C\NNC(=O)CSC2=NN=C(N2CC=C)CN3C4=CC=CC=C4N=N3)/C1=O)Br 1 1.856 8 3 0 -21.2428115182158 6020016 C1=CC=C(C(=C1)/C=C/C(=O)C2=CC=CN2)Cl 1 3.751 1 1 2.74916186040915 6020063 CCCNC(=O)/C=C/C(=O)O 1 0.489 1 3 0 -8.78622493914609 6019717 C1COCCN1CCN2C(/C(=C(/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)\O)/C(=O)C2=O)C5=CC=CC=C5F 1 1.212 3 7 0 -25.8162212252536 6019741 CN\1C2=CC=CC=C2N/C1=C\N=O 1 1.949 3 1 0 -2.97137215619058 6019589 COC1=CC=CC(=C1)/C=C/C2=NN(C3=C2C=CC=CC3=O)C4=CC=C(C=C4)Br 1 6.004 2 2 3.3472227565948 6019457 C1=CC=C(C(=C1)C(=O)NN/C=C/2\C=C(C=C(C2=O)[N+](=O)[O-])Cl)NS(=O)(=O)C3=CC=CS3 1 1.392 4 6 0 -10.5137509875296 6019408 COC1=CC=C(C=C1)/C=C/C2=NC3=C(C=CC(=C3C=C2)Br)O 1 4.92 1 2 8.22682064144718 6019398 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C/NNS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])/C2=O)OC 1 2.198 4 8 0 -14.6125935820858 6019269 CC1C/C(=C/C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/C(=O)O1 1 2.427 1 6 0 -6.85452966462874 6019230 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN/C=C/3\C=CC=C(C3=O)O 1 -6.7e-002 4 7 0 -14.5597568255034 6019211 CCC1CO/C(=C(\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])/N1 1 2.572 2 3 -0.275331452482161 6019083 COC1=CC=C(C=C1)/C=C(/C(=O)C2=CC=CS2)\N3C=CC=CC3=C(C#N)C#N 1 3.514 3 2 -8.11014343080438 6019045 C1=CC(=O)/C(=C/NNC(=O)CCCO)/C=C1Br 1 -0.308 2 3 0 -6.8377222478679 6018994 CC1=CC=C(C=C1)CN2C=CC=C2/C=C\3/C(=N)N4C=CSC4=NC3=O 1 3.472 4 1 -14.2460225280985 6018993 C1C/C(=C\C2=CC=NC=C2)/C(=O)/C(=C/C3=CC=NC=C3)/C1 1 2.836 2 1 0.678754469850034 6018908 CC(=O)C1=NN(C2(S1)N(C(=O)/C(=C/C3=CC=CC=C3)/S2)C4=CC=CC=C4)C5=CC=CC=C5 1 7.288 3 2 -7.41629685515421 6018803 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NNC=C3C=CC(=O)C=C3 1 1.878 4 4 0 -16.5004322507993 6018710 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COC1=CC(=C(C=C1)OC)C(=O)/C=C/C2=CC=CC=C2C(F)(F)F 1 4.611 0 3 -0.203189010749203 6011141 C1CN(CCN1C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-] 1 3.313 3 3 2.54342285565801 6011097 C1CCN(C1)C(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-] 1 2.145 2 3 -1.11078296345127 6011089 CC1=CC=CC=C1NC(=S)N/N=C\2/C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N(C2=O)C 1 2.664 5 4 0 -24.410058832593 6011073 C1=CC=C2C(=C1)C=CC=C2/C=C/C3=NN=C(O3)C4=CC=CS4 1 4.383 2 1 4.79269122978297e-002 6010706 C1=CC=C(C=C1)/C=C/C(=O)NN2C=NC3=CC=CC=C3C2=O 1 2.257 3 2 -4.63497572162715 6010977 CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)OC(=O)C3=CC=CS3)C4=CC=C(C=C4)C(=O)O 1 4.049 2 5 0 -13.4744306282058 6010468 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.16 2 7 0 -15.946674130697 6010391 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCCC4)OC 1 4.163 3 5 0 -20.3918983318855 6009984 C1=CC=C(C=C1)C2=C(N=C(N2)N/N=C/3\C=CC=CC3=O)C4=CC=CC=C4 1 4.095 4 1 1.47685773883555 6010071 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3.451 1 4 -8.96227018924916 6007412 CC(C(=O)NNC1=C2C=C(C=CC2=NC1=O)Br)OC3=CC=CC=C3 1 1.887 3 3 0 -8.42618749416337 6007144 C1COCCN1CCCNC(=O)/C=C/C2=CC(=CC=C2)Cl 1 2.059 2 2 -5.99545677259928 6007064 CC1=C(C=C(C=C1)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=C(C=CC(=C4)Cl)N5CCOCC5)C 1 5.213 3 3 -4.63860113289495 6007076 COC1=CC=C(C=C1)/C=C/2\CCC(C2=O)C3CCCC3 1 4.464 0 2 -1.76250139199065 6006296 CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)C)O 1 1.257 4 3 0 -12.3250605544812 6006210 C1CCC(=NCC1)NNC=C2C=CC(=O)C=C2 1 0.77 3 1 0 -3.53412614548166 6006008 C1=CC=C(C(=C1)C(=O)NNC2=C3C=C(C=CC3=NC2=O)Br)N4C=CC=C4 1 2.444 4 2 -7.68746041926992 6005995 COC1=CC(=CNNC2=C3C=CC=CC3=NC2=O)C=C(C1=O)OC 1 -0.374 3 4 0 -0.688132965477245 6005798 CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)/C=C/C3=CC=CS3)C 1 4.952 2 1 0.837726206080572 6005734 C1COCCN1C2=NN/C(=C(/C#N)\C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])/N2C4=CC=CC=C4 1 2.838 6 4 0 -11.5962811393758 6005618 C1=CC(=CN=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.445 2 3 -1.19022717242959 6005610 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NCCN3C(=O)/C(=C/C4=CN=CC=C4)/SC3=O 1 0.864 4 6 0 -25.1637809410471 6005577 C1=CC(=CN=C1)NC(=S)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-] 1 1.11 6 3 0 -6.81707219628476 6005454 CCCN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/NC1=S 1 2.676 2 3 -5.2980736824469 6005065 CCOC1=CC=C(C=C1)NC(=S)NNC2=C3C=CC=CC3=NC2=O 1 2.85 4 2 -8.29441346685346 6004736 C1=CC=C(C=C1)CN(C2=CC=CC=C2)N/C=C/3\C=CC(=O)C(=C3O)O 1 2.486 2 3 -1.65852418682055 6004435 C1=CC(=CN=C1)NC(=S)NNC=C2C=CC(=O)C=C2 1 1.259 4 1 0 -3.57495309305809 6004192 C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)NN/C=C/3\C=CC=CC3=O 1 3.209 2 1 -4.7557640243166 6004285 C1=CC(=NN=C1NNC=C2C=C(C(=O)C(=C2)Br)Br)Cl 1 1.835 4 1 0 0.957610946014151 6004217 C1=CC=C(C=C1)CCNC(=S)NNC2=C3C=CC=CC3=NC2=O 1 2.568 4 1 -10.8848246249114 6004140 CCOC(=O)C1=C(OC2=C1/C(=C/NCCC(=O)O)/C(=O)C3=CC=CC=C32)C 1 1.83 1 6 0 -11.5333032647385 6004081 C1CN(CCN1C2=CC=CC=N2)C(=O)/C=C/C3=CC(=CC=C3)Br 1 3.478 3 1 0.742780802094941 6003822 COC1=CC=C(C2=CC=CC=C21)/C=C/C(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.621 3 2 1.31005706810569 6003658 COC(=O)C1=CC=CC=C1NC=C2C(=O)NC(=S)NC2=O 1 0.96 3 4 0 -12.2559141041365 6002878 C1CC2=C(C3=CC=CC=C31)N/C(=C(\C#N)/C(=O)CCl)/S2 1 2.775 2 1 -5.66916516364431 6003023 CCCCOC1=CC=CC(=C1)/C=C(\C#N)/C(=O)NC2CC2 1 3.147 2 2 -14.0242029666326 6002709 CCC1=C/C(=C(/CC2=CC=CC=N2)\NNC3=CC=CC=C3)/C(=O)C=C1O 1 3.198 3 2 -3.21282161993601 6002572 C1COCCN1CCN2C(/C(=C(\C3=CC4=C(C=C3)OCO4)/O)/C(=O)C2=O)C5=CC(=CC=C5)Cl 1 2.635 2 6 0 -10.7197616014204 6002630 CC1=C(C(=O)ON1)/C=C\2/C=C(C(=O)C(=C2)Cl)OC 1 0.635 1 4 0 -0.453677552573044 6002691 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC2CCOC2=O 1 1.699 1 5 0 -10.7126827366822 6002473 C1=CC=C(C=C1)C2=C(C(=C3C=CC(=O)C=C3)NN2)C4=NC5=CC=CC=C5N4 1 2.749 4 1 1.29972266958953 6002396 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NN=C3C(=O)NC(=S)NC3=O 1 0.357 5 5 0 -23.7156160623285 6002117 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C4=CC(=CC=C4)Cl)[N+](=O)[O-] 1 3.923 4 5 0 -10.2987892176392 6001762 CCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)OC 1 3.296 5 3 0 -15.3406151534451 6001528 C1COCCN1CCCNC(=O)CN2C3=CC=CC=C3O/C(=C/C4=CC(=CC=C4)Br)/C2=O 1 2.419 3 4 0 -10.0498853855532 6001349 CC1=CC2=C(C=C1)N=C(C(=C(N2)C)N=O)C 1 2.326 3 1 -6.38846855211433 6001289 COC1=CC(=C(C=C1)/C=C\2/C(=O)/C(=C/C3=C(C=C(C=C3)OC)OC)/CC2)OC 1 4.615 0 5 1.20766065662576 6001017 CC\1=NNC(=O)/C1=C\C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 3.379 4 1 5.57930639399238e-002 6000830 CC1=CC=C(C=C1)N2C(=O)/C(=C\NC3=C(C=C(C=N3)Br)Br)/C(=O)NC2=O 1 3.359 4 3 0 -2.17429885537111 6000691 CC\1=NC2=CC=CC=C2/C1=C/NNC(=S)NC(C)C 1 2.036 4 0 -10.0184670397922 6000588 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC=C4C=CC(=O)C=C4 1 3.472 3 3 -4.93560740774154 6000419 CC1CC(CN(C1)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.072 2 4 -22.436182960902 6000010 CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C(\C#N)/C3=NN=C(N3C4=CC=CC=C4)N5CCOCC5 1 4.147 6 1 0 -12.1703495289103 5999972 CC(C(=O)NNC=C1C=CC(=O)C=C1)N2C=C(C(=N2)OC)[N+](=O)[O-] 1 0.409 5 5 0 -5.64320588114463 5999922 CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)C3=CC=C(S3)Br 1 3.993 3 1 -7.13619438360187 5999748 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NN/C=C/3\C=CC(=O)C(=C3)OC)[N+](=O)[O-])Cl 1 1.644 5 6 0 -5.50714127376392 5999714 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.375 3 8 0 -25.4023905249132 5999709 CC1=C(SC(=N1)N2C(C3CCC/C(=C\C4=CC=CC=C4)/C3=N2)C5=CC=CC=C5)C(=O)NC 1 4.775 4 1 -10.4757780928851 5999536 C1=CC=C(C(=C1)C(F)(F)F)N/N=C/2\C=CC(=O)C3=C2C=CC=N3 1 3.837 3 1 2.45672946814974 5999355 CC1=C(N=C(S1)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-])C3=CC=CC=C3 1 1.966 4 3 0 -0.623767100709275 5998992 C1CC(OC1)CNC(=O)/C(=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)/NC(=O)C5=CC=CC=C5 1 3.376 5 3 0 -13.6440250699776 5998911 CC\1=NOC(=O)/C1=C/C2=CC(=C(C=C2)OCC#C)Cl 1 3.553 1 3 -0.765516922410898 5998849 C1=CC=C2C(=C1)N=C3C=C4C(=CC3=N2)N=CN4 1 2.575 4 0 0.618271609533247 5998795 CC(C)(C)C1=CC(=CNN2C=NC=N2)C=C(C1=O)C(C)(C)C 1 2.485 4 1 -2.89033022519724 5998707 CC(C)C1=CC=C(C=C1)/C=C/C(=O)NCCCN2CCOCC2 1 2.588 2 2 -8.70879144586835 5998572 C1=CC=C(C=C1)CSC2=NC=CC(=N2)NN/C=C/3\C=CC=CC3=O 1 2.541 4 1 -7.5809341467636 5998338 CCOC(=O)/C=C/C1=CN(N=C1)C2=CC=CC=C2 1 2.728 2 2 -0.913787339877737 5998314 CC1=C(C(=NN1C)C)/C=C/C(=O)C2=CC=CS2 1 2.733 2 1 -2.50154256302237 5998212 CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2[N+](=O)[O-])OCC3=CC=CC4=CC=CC=C43 1 5.623 3 5 0 -17.188564332717 5997989 C1CC1C(=O)NN/C=C/2\C=C(C=C(C2=O)[N+](=O)[O-])Cl 1 0.211 3 4 0 -6.14515510989875 5997879 C1=CC(=CN=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.215 1 1 1.15514439939323 5997787 C1=CC=C(C=C1)/C=C(/C(=O)C2=CC=CS2)\N3C=CC=CC3=C(C#N)C#N 1 3.531 3 1 -7.96651526526937 5997702 CC1=CC(=O)/C(=C(\C)/NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)O1 1 0.848 3 6 0 -10.38707717609 5997538 CC1=C(C=CC=C1Cl)NC(=S)N/N=C\2/C3=CC=CC=C3N(C2=O)CN4CCOCC4 1 4.332 5 2 0 -5.94320063560788 5997454 C1=CC=C(C(=C1)CN2C(=S)N(C=N2)N/C=C/3\C=CC=CC3=O)Cl 1 2.781 4 1 -3.23867793421052 5997242 CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NNC=C4C=CC(=O)C=C4 1 1.476 6 1 0 2.46434485138216 5997241 CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NN/C=C/4\C=CC(=O)C(=C4)OC 1 1.164 6 2 0 2.35600639566148 5996778 C1=CC=C2C(=C1)/C(=C/NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)/C(=O)N(C2=O)C5=CC(=CC=C5)Cl 1 3.62 5 4 0 -9.21579447225692 5996529 C1=CC(=CC=C1C2C=C(N=C3N2NC=N3)C4=CC=C(C=C4)F)O 1 2.675 4 1 2.29103452754677 5996276 CC1=CC(=CC=C1)OCC(=O)NCC(=O)NN/C=C/2\C=C(C=C(C2=O)Br)Br 1 1.293 3 4 0 -8.16010031569912 5996263 CC1=C(C(=CC=C1)N/N=C/2\C(=NN(C2=O)C(=S)N)C)C 1 2.661 5 1 0.913918131854273 5995629 COCCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)\O)/C(=O)C1=O)C4=CC=C(C=C4)F 1 2.547 2 6 0 -21.0981687661641 5995507 C1=CC=C(C(=C1)C(=O)O)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-] 1 1.253 4 5 0 -4.82342410411253 5995442 CC1=CC=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)NC3=NCCCS3 1 4.651 2 1 -5.23911665225692 5995439 COC1=CC=C(C=C1)N/N=C/2\C=C(C=CC2=O)C3=CC=CC=C3 1 4.009 2 2 0.505481528693283 5995303 COC1=C/C(=C\NN2CCCCC2)/C(=O)C=C1 1 0.492 2 2 0 -2.86061024686738 5995173 COC1=CC=C(C=C1)N=C2N(C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)O)/S2)CCC4=CNC5=CC=CC=C54 1 5.632 3 5 0 -10.3497346484128 5995047 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)CNC(=O)C3=CC4=C(C=C3)OCCO4 1 0.608 4 4 0 -15.1284917805138 5994954 C1=CC(=CN=C1)N=C2N(C(=CS2)C3=CC=CO3)N/C=C/4\C=CC(=O)C=C4O 1 1.263 4 3 0 -5.37732202004797e-002 5994798 C1=CC=C(C=C1)/C(=C(/C(=S)NC2=CC=CC3=CC=CC=C32)\[N+]4=CC=CC=C4)/[O-] 1 5.007 2 1 -3.44176244317701 5994655 C1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=CC=C2)/NNS(=O)(=O)C3=CC=CC=C3 1 2.986 3 4 0 -12.1656386223125 5994539 COC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=CC=N4 1 4.005 3 2 -7.86283036236952 5994507 COC1=CC=C/C(=C\NNC2=CC=NC(=O)N2)/C1=O 1 -0.51 4 3 0 -3.55707878790157 5994411 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)/C=C/C4=CC=CC=C4[N+](=O)[O-] 1 1.631 4 7 0 -19.0502378410065 5994290 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)/C=C/C2=CC=CO2)Cl 1 1.966 2 6 0 -11.4799422844215 5994055 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)O)O 1 3.708 1 5 -7.40863226107296 5994065 C1=COC(=C1)/C=C/C=C\2/C(=O)N(C(=S)S2)C(CC(=O)O)C(=O)O 1 2.256 1 6 0 -7.14356615287753 5993755 C1=CC=C(C=C1)C(=O)NCC(=O)NN/C=C/2\C=C(C=CC2=O)Br 1 0.519 3 3 0 -12.2510702524784 5993955 C1=CC=C(C=C1)/C=C/C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.834 1 4 -6.7437505946501 5993678 COCCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)\O)/C(=O)C1=O)C4=CC=C(C=C4)O 1 2.099 2 7 0 -20.2069122265492 5993675 C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(C=C3)F)/SCC(=O)O 1 4.239 1 2 -4.61048987480714 5993609 CN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)C(F)(F)F)O 1 3.469 2 6 0 9.0062074075718 5993536 CC(C1=CC(=CC=C1)N/C=C/2\C=CC3=CC=CC=C3C2=O)O 1 2.932 1 2 -3.53136087912724 5993407 C\1C(ON/C1=C/2\C=CC=CC2=O)C(=O)NCC3=CN=CC=C3 1 -0.307 3 3 0 -13.9610701849341 5993267 CC1=CC=CC=C1NC(=O)CCC(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 1.506 4 2 0 -9.15355194135016 5993138 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)/C=C/C2=C(C(=CC=C2)OC)OC)Cl 1 2.538 2 7 0 -11.6034792237272 5992919 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)/C=C/C2=CC=CS2 1 2.639 2 3 -14.0604569743125 5992823 CC(=O)OC1=CC=CC=C1C2=NN(C(C2)C3=CC=C(C=C3)OC)C(=O)/C=C/C4=CC=CC=C4 1 4.635 2 4 -3.98931677115272 5992776 C1=CC=[N+](C=C1)/C(=C(\C2=CC=C(C=C2)[N+](=O)[O-])/[O-])/C(=S)NCC3=CC=CO3 1 2.903 3 4 0 -7.59402548956394 5992763 CC(C)C1=CC=C(C=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCCCC4 1 4.137 5 2 0 -20.9029479842458 5992654 COC1=CC2=C(C=C1/C=C/3\C(=O)N(C(=O)N3)CC(=O)OC)OCO2 1 0.401 2 7 0 -10.2695906472102 5992607 C1=CC=C(C=C1)CC(C(=O)O)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O 1 2.272 1 5 -8.45020023612102 5992585 CC(=O)NC1=CC=C(C=C1)/C=C/C2=NC3=C(C=CC=C3[N+](=O)[O-])C=C2 1 3.445 3 3 -4.24268274953591 5992493 CCOC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NCCN2C(=O)CSC2=O)OCC(C)C 1 2.79 2 7 0 -28.4587167890032 5992379 CSC1=NC(=O)/C(=N\NC2=CC=C(C=C2)[As](=O)(O)O)/C(=N1)N 1 1.818 5 4 0 -4.57573664135814 5992118 CC1=CC2=C(C(=O)N=C2C(=C1)C)NNC(=S)NCC3CCCO3 1 1.915 4 2 0 -15.0561535940776 5991953 C1=CC=NC(=C1)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C#N 1 2.827 3 2 -9.21960930448401 5991726 C1C(N2C(=NC1=O)N=C(N2)NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl 1 2.377 5 3 0 -1.36748686219957 5991635 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CN3C)/SC2=O 1 3.648 2 3 -5.32312162163742 5991566 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 2.043 2 7 0 -30.9902946425555 5991533 CCN(CC)CCN1C(/C(=C(\C2=CC=C(C=C2)OCC)/O)/C(=O)C1=O)C3=CC=CS3 1 3.391 2 4 -10.2500079705148 5991330 CN(C)C1=NC(=NC(=N1)NN/C=C/2\C=CC=CC2=O)NC3=CC=C(C=C3)F 1 1.474 7 1 0 -2.96313307594995 5991211 CC1=CC2=C(C(=O)N=C2C=C1)NNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4 1 1.836 4 4 0 -9.38345298799769 5990949 C1=CC(=CC(=C1)F)/C=C/C(=O)N2C(=O)C3=C(C2=O)C(=CC=C3)N 1 2.237 2 3 -1.76405258595283 5990724 COC1=C(C=CC(=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)O)OC(F)F 1 3.621 2 5 0 -7.90923605003847 5990931 COCCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC(=CC=C4)Cl 1 1.776 2 7 0 -23.0282293704647 5990906 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC 1 2.554 2 6 0 -12.1858785418874 5990589 C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)CNS(=O)(=O)/C=C/C3=CC=CC=C3 1 2.313 2 5 0 -2.80348388019642 5990451 CC1=NC(=NN1)NN=C2C=CC(=O)C=C2 1 0.451 5 1 0 -0.639293318612461 5990183 COC1=C(C=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC)OC 1 2.782 2 7 0 -20.2359548932724 5990113 CCCCC(=O)OCC(=O)N1C(C(/C(=C\2/C=NC3=CC=CC=C32)/N1)O)C4=CC=C(C=C4)OC 1 2.58 3 5 0 -9.7359312421546 5989949 CCC1=NC(=C2C3=C(CCC3)SC2=N1)NNC4=C5C=CC=CC5=NC4=O 1 3.252 5 1 -10.2590763785371 5989825 CCN1CCN(CC1)C2=C(N=C(O2)/C=C/C3=CC=CC=C3)C#N 1 3.02 4 1 -2.79249351355649 5989813 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NC(C)C 1 3.101 3 4 0 -22.84699207705 5989279 CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 1.309 3 7 0 -12.6196112855106 5989032 C1=CC(=CC(=C1)Br)C(=O)NCC(=O)NN/C=C/2\C=C(C=C(C2=O)Br)Br 1 1.72 3 3 0 -9.67177212358158 5989040 CC1=CC=CC=C1NC(=O)CN2C(=O)/C(=C/C3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)/NC2=O 1 3.262 3 6 0 -12.3159053760241 5988949 CN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)N(C(=S)S3)NC(=O)C4=CC=CC=C4Cl 1 5.044 3 2 -6.37898335735239 5988946 COC1=CC=CC(=C1)/C=C/C(=O)NCC2=CN3C=C(C=CC3=N2)Cl 1 2.693 3 2 -8.63853504867156 5988740 CC1CCCC(C1C)NC(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)/C=C/C3=CC=CC=C3 1 3.604 2 5 0 -5.81372718252617 5988334 CC(C)C1=CC2=C(C(=O)N=C2C=C1)NNC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4Cl 1 3.422 4 4 0 -9.38163553812292 5988153 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)/C=C/C3=CC=CS3)N4CCOCC4 1 3.357 3 5 0 -8.62804792903654 5988082 CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CCCN(C)C)C3=CC=NC=C3)/O)C 1 1.647 4 5 0 -11.3884702538992 5987901 COCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC(=CC=C4)O 1 0.807 2 8 0 -22.7834867775677 5987678 CCOC(=O)C1=CC=CC=C1N2C(=CC(=C2C)C3N=C(N=C4N3C5=CC=CC=C5N4)N)C 1 3.32 6 2 0 -9.75293981995759 5987619 COC1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.561 2 8 0 -20.7218459414799 5987461 COC1=CC=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC 1 2.799 2 6 0 -17.9743842061218 5987100 CC1=CC(=CC=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NC4CCS(=O)(=O)C4 1 1.472 4 5 0 -22.738276964799 5987015 CC1=CC=C(O1)C2/C(=C(\C3=C(N(N=C3)C4=CC=CC=C4)C)/O)/C(=O)C(=O)N2CCCN5CCOCC5 1 2.071 4 5 0 -10.686772664646 5986953 CCOC(=O)C1=C(N/C(=C\C2=CC(=C(C(=C2)OC)OC)OC)/C1=O)C 1 1.726 1 6 0 -16.7684301440491 5986909 C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(C=C2)C(F)(F)F)/C3=NC4=CC=CC=C4N3 1 5.487 2 2 2.64276322061502 5986436 CC1=CC(=C(C=C1)/C(=C(/C(=S)NCC2=CC3=C(C=C2)OCO3)\[N+]4=CC=C(C=C4)N(C)C)/[O-])C 1 4.73 3 3 -4.26757087579825 5986276 C1CCN(C1)C2=NC(=N/C(=C(\N)/N=O)/N2)N3CCCC3 1 0.933 7 1 0 -5.80513314866118 5986159 CC\1(C2=CC=CC=C2N(/C1=C\C=NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCOCC5)C)C 1 2.968 4 4 0 6.50374878450056e-002 5985713 CCCC(=O)NC1=NC2=NC(=O)CC(N2N1)C3=CC=CC=C3 1 1.909 5 2 0 -10.6396805633527 5984165 COC1=CC(=C(C=C1NC(=O)C2C/C(=C\3/C=CC=CC3=O)/NO2)OC)Cl 1 1.468 2 5 0 -13.6221993560519 5984029 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)/C=C/C2=NC3=CC=CC=C3N=C2 1 2.286 4 4 0 -9.66887063657763 5983846 CC(C)C1=CC=C(C=C1)/C=C(\C2=NC3=CC=CC=C3N2)/S(=O)(=O)C4=CC=CC=C4 1 5.739 2 2 -0.669543970065642 5983342 COC1=CC=CC=C1/C=C/C(=O)NC(=S)NCC2CCCO2 1 2.721 2 3 -12.0153004111132 5983337 CCCCNC(=S)N(C)N/C=C/1\C(=NC2=CC=CC=C21)C 1 2.845 4 0 -10.258114531219 5982594 CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C)C 1 1.941 5 4 0 -22.3896583201472 5982653 C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])NN/C=C/2\C=CC(=O)C(=C2O)O 1 -0.704 4 7 0 -7.95449732349185 5982574 CC1=CC(=C(C=C1)C)NC(=S)/C(=C(/C2=CC=C(C=C2)OC(F)F)\[O-])/[N+]3=CC=CC=C3 1 5.876 2 2 -1.0670392912783 5982555 CC1CCN(CC1)C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC 1 2.285 2 5 0 -18.7368114255339 5982435 CC1=NN=C(S1)SCC(=O)NN/C(=C/2\C=CC(=O)C(=C2)OC)/C 1 0.336 4 3 0 -16.8206121418107 5982399 COC1=CC=CC(=C1OC)/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.79 2 7 0 -20.2300864312242 5982279 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Br 1 5.122 2 3 -7.5217794056365 5982244 CCOC(=O)/C(=C\C1=CC(=C(C=C1)OC)OC)/C(=O)C2=CN=CC=C2 1 2.683 1 5 -5.7621462432115 5982178 CC1=C(C=CC=C1Cl)NC(=S)/C(=C(/C2=CC=C(S2)Cl)\[O-])/[N+]3=CC=CC=C3 1 5.661 2 1 1.82020297569254 5982078 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)OCC#N 1 2.274 3 6 0 -17.2951792804491 5981972 C1=CC(=CC=C1CCNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC(F)F)S(=O)(=O)N 1 2.628 2 6 0 -12.4386542032409 5981432 CCCCC1(N=C2C=CC=CC2=C3N1C4=CC=CC=C4N3)C 1 4.433 3 0 -3.03760370993176 5981295 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/NCCCN3C=CN=C3)/C(=O)NC2=O 1 0.27 5 4 0 -6.83408927813652 5981212 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)NCC3=CC=CC=C3Cl 1 3.951 2 5 0 -25.1243542036686 5980975 CC1=NC(=NC(=C1)C2=CC=CC=C2)NN/C=C/3\C=C(C=CC3=O)OC 1 1.794 4 2 0 1.24857433472864 5981014 COC1=CC(=CC(=C1O)OC)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=CC=C3F 1 2.456 2 5 0 -5.1055054056185 5980923 C1=CC=C(C=C1)/C=C/C2=N/C(=C\3/C=CC=CC3=O)/N(N2)C4=CC=CC=C4 1 4.459 3 1 -2.12110022683538 5980776 CC(C)NC(=O)NC(=O)COC(=O)/C=C/C1=CC(=C(C(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)OC)OC 1 2.454 3 8 0 -25.5419686328163 5980675 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)O 1 3.108 2 6 0 -8.03992944307156 5980492 CC1=CC=C(C=C1)SCCC(=O)NN/C=C/2\C=CC=CC2=O 1 2.134 2 2 -6.28610922636736 5980332 C1=CC=C(C=C1)/C=C/CN(CC(=O)N)C/C=C/C2=CC=CC=C2 1 3.276 2 1 3.77475558981537 5980172 C\1C(ON/C1=C/2\C=CC=CC2=O)C(=O)NC3=CN=CC=C3 1 -0.314 3 3 0 -8.78673376757672 5980112 C1=CC=NC(=C1)C(=O)NCC(=O)NNC2=C3C=CC=CC3=NC2=O 1 -0.547 5 3 0 -16.5314666646579 5979828 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)O 1 3.817 1 5 -1.43917164157318 5979490 C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(C=C2)/C=C/C3=CC=C(C=C3)OCC(=O)O 1 3.79 2 5 0 -5.43469022111501 5979577 CC(C)N1C2=CC=CC=C2/C(=N/NC(=O)CN3C4=CC=CC=C4N=C3C(F)(F)F)/C1=O 1 3.618 5 2 0 -7.71077965939257 5979506 CC(C)(C)C1=NN(C(=C1)C(=O)NN/C=C/2\C=CC=CC2=O)C3=CC=CC=C3 1 3.353 4 2 -4.04609208290387 5979328 COC1=CC=C(C=C1)N/C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])/N2C3=CC=CC=C3N=N2 1 5.094 5 3 0 2.59446788329098 5979014 CC1=CC=C(C=C1)CN2C(=C(/C(=C/C3=CC(=CC=C3)OCC=C)/C2=O)C(=O)OC)C 1 4.36 1 4 -16.2428467560904 5978911 CN(C)C1=CC=C(C=C1)C(=O)/C=C/C2=CN=CC=C2 1 2.713 2 1 -1.75711576368502 5978544 CCCCNC(=O)COC(=O)C1=C2CC/C(=C\C3=CC=CS3)/C2=NC4=CC=CC=C41 1 5.189 2 3 -15.1010475828334 5978496 CCCCNC(=S)N/N=C\1/C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3 1 4.43 4 1 -9.8354111504064 5978441 CCC(C)N1C(=O)/C(=C\NNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)/C(=O)NC1=S 1 0.208 8 4 0 -9.83884446380606 5977999 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCCN2C(=O)/C(=C/C3=CC=C(C=C3)OC)/SC2=O 1 3.1 2 6 0 -20.1980198007867 5977929 C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)/C=C/C4=CC=CO4 1 5.587 2 1 5.49680880420615 5977801 C1COCCN1C2=NN=C(N2C3=CC=CC=C3)/C(=C/C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])/C#N 1 4.079 6 4 0 -7.95030058627914 5977733 C1=CC(=CN=C1)N/C=C/2\C=C(C=C(C2=O)Br)Br 1 1.854 2 1 0 -1.61730608099486 5977886 CCN(CC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3OC)C)O 1 3.679 1 5 3.40521806305404 5977630 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN/C(=C/2\C=CC=CC2=O)/C)C3=CC=CC=C3OC 1 2.535 3 5 0 -17.5432245064776 5977657 COC1=CC=C(C=C1)CNC(=O)COC(=O)/C=C/C2=CC=CO2 1 2.175 1 5 -10.4283164302781 5977496 CC1=CC(=O)OC2=CC(=C(C=C12)C(=O)C)O 1 1.844 0 4 0 -5.92251853746281 5977288 CC1=CC2=C(C(=O)N=C2C(=C1)C)NNC(=O)C3=C(N=C4N3C=CC=C4)C 1 1.46 5 2 0 -8.10630380135923 5977169 CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)OC(=O)C3=CC=C(C=C3)C 1 4.802 2 6 0 -22.7329405739119 5977065 C/C(=C\1/C=CC(=O)C(=C1O)O)/NNC2=CC=C(C=C2)C(=O)O 1 0.84 2 5 0 -3.64451688018599 5976831 C1CS(=O)(=O)CC1NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl 1 2.049 1 5 -13.6168903115057 5976866 C1=CC=C(C(=C1)/C=C/C(=O)OCC(=O)C2=CC=CN2)Cl 1 3.458 1 3 -2.34032321012503 5976915 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)/NC2=O 1 3.262 3 6 0 -7.79254827621508 5976711 C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC3=C2C=CC=N3)O 1 2.865 3 2 -9.69815356624752 5976473 C1CCCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NNC=C4C=CC(=O)C=C4 1 0.855 9 3 0 -20.8785223807906 5976412 CC(=C1C=CC(=O)C=C1)NNC2=C(C=C(C=C2)C#N)[N+](=O)[O-] 1 2.059 4 3 0 -4.81161820874113 5976186 C1CC(=O)NN=C1C(=O)NCCN2C(=O)/C(=C/C3=CN=CC=C3)/SC2=O 1 -0.455 5 4 0 -22.271573247667 5976150 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C3CC(C/C(=C\C4=CC=CC=C4)/C3=NC5=CC=CC=C52)C 1 4.677 2 5 0 -18.2689006408467 5975988 CN1C=NN=C1SC2=C(C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)O)[N+](=O)[O-] 1 3.584 4 4 0 -6.10418937829326 5975930 C1=CC(=CC=C1/C=C/C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OCC(=O)O 1 3.666 2 5 0 -2.55551742217884 5975761 CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCOCC3)C4=CC=C(C=C4)OC 1 2.883 1 5 6.28330543057796 5975689 CC1=NN(C(=C1)NC(=O)/C=C/C2=CC(=CC=C2)F)C3=NC4=CC=CC=C4N3 1 3.978 5 1 0.438011088422704 5975659 C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)F)C(=O)/C=C/C3=CC=CO3 1 2.403 1 4 -10.7109191846784 5975594 CC1=C(/C(=C/C2=CC=CS2)/C(=O)N1C3CCCCC3)C(=O)OC 1 3.501 1 3 -11.0938196948594 5975421 CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)C3COC4=CC=CC=C4O3)OC 1 3.093 2 7 0 -15.0601856563978 5975239 CC1=C(C2=CC=CC=C2N1)C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/C#N 1 3.947 2 3 -6.69927275167903 5975095 C1=CC=C2C(=C1)NC(=N2)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 0.934 5 3 0 1.45951760447828 5975065 CC1=CC=C(C=C1)C(=O)/C=C/C2=C(N(C(=C2)C#N)C)C 1 3.803 2 1 0.39741257275777 5974996 COCCNC(=O)COC(=O)/C=C/C1=NC2=CC=CC=C2N=C1 1 0.974 3 4 0 -10.8062754256741 5974956 C1=CC2=C(C(=O)N=C2C=C1)NNC3=C(C=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl)[N+](=O)[O-] 1 2.927 5 5 0 -4.55725200871877 5974921 CC(C)N1C(=O)/C(=C\C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)/SC1=O 1 4.071 1 5 -2.45254228775898 5974794 C/C(=C\1/C=C(C=C(C1=O)Cl)Cl)/NNS(=O)(=O)C2=CC=CC=C2 1 1.961 2 3 0 -5.56668018602006 5973824 COC1=C(C=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCCC4)OC 1 2.453 5 4 0 -25.4636904721408 5973671 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)Br 1 2.023 1 5 -13.5123074820955 5973599 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N=C3N2C4=CC=CC=C4N3 1 1.853 4 4 0 -15.1649210213188 5973550 CCC1CCCCN1CC(COC2=C(C=C(C=C2)/C=C/C)OC)O 1 4.197 1 3 -10.5985790424811 5973475 C1=CC=C(C=C1)NC(=O)NC(=O)CN2C=CC(=C[NH+]=O)C=C2 1 4.9e-002 4 3 0 -1.06611506196802 5973185 CC1=CC(=O)OC2=C1C=CC(=C2C(=O)/C=C/C3=CC=C(C=C3)OC)O 1 3.959 0 5 -0.301398154868379 5973024 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC=C(C=C5)C(=O)OC)/O 1 2.493 2 7 0 -13.4947932114732 5972713 C1=CC=C(C=C1)CSCC(=O)NNC2=C3C=CC=CC3=NC2=O 1 1.516 3 2 0 -12.5706329673735 5972613 C1=CC=C(C=C1)N/C(=C/2\C=CC=CC2=O)/NS(=O)(=O)C3=CC=CC=C3 1 3.268 2 3 -6.46890082838749 5972577 CCOC1=CC=C(C=C1)N/N=C/2\C=C(C=CC2=O)C(C)C 1 4.034 2 2 -2.46643346525234 5972548 C1=CC=C(C=C1)C2=CC(=O)N=C\3N2N=C(/C3=N\NC4=CC=C(C=C4)Br)N 1 2.895 6 1 0 -3.8149558861121 5972287 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C=C/C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5 1 2.885 3 7 0 -6.48896042250258 5972274 COC1=CC(=CC(=C2NC3=CC=CC=C3N2)C(=O)C4=CC=CS4)C=C(C1=O)OC 1 3.497 2 4 -4.63531095973384 5972079 CC1=NN(C(=C1/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4 1 4.899 3 2 -0.302833743697691 5972057 C1=CC=C(C(=C1)C(=O)NCC(=O)NNC=C2C=CC(=O)C=C2)Br 1 0.815 3 3 0 -9.30389973885719 5971886 C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)NN/C=C\3/C(=NC(=NC4=CC=CC=C4)S3)Cl 1 4.64 4 2 0.3023676386704 5971819 COC1=CC=CC=C1NC(=S)NNC=C2C=CC(=O)C=C2 1 2.393 3 2 -5.50548385999848 5971718 CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/NC3=CC(=CC=C3)O 1 3.624 2 3 -6.67094498842074 5971779 CC1=CC=C(O1)/C=C/C(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl 1 2.867 2 4 -4.76146177646009 5971744 C1CCC(C1)NC2=N/C(=C/3\C=CC=CC3=O)/NC4=CC=CC=C42 1 3.398 3 1 -7.70858551262852 5971667 C=CCC1=CC=C/C(=C\NC2=CNC(=O)NC2=O)/C1=O 1 -0.348 3 3 0 -14.3940465301436 5971554 COC1=CC=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=CC=CS2 1 3.054 1 4 -11.4748500655463 5971290 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)NCC2CCCO2 1 1.555 1 5 0 -13.8784575849496 5971285 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N(C(=S)N2)C 1 4.595 2 2 -2.90594704808887 5970751 COC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 4.891 1 4 -7.26908971937382 5970670 C/C(=C(/C#N)\C(=O)CSC1=NC2=CC=CC=C2N1)/N 1 1.55 4 1 0 -8.96008527233903 5970465 COC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CO4)/O)OC 1 2.064 2 6 0 -13.5892962845761 5969747 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)/C(=C/C4=CC=CC=C4)/C#N 1 2.349 4 4 0 -26.1667592406258 5969645 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)C3CC4CC3C=C4 1 2.681 2 4 -6.87859987976367 5969577 COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)C(C3=CC=CC=C3)C(=O)O)O 1 3.989 1 5 -7.25780404693189 5969469 C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)O)/C1=C/C4=CC=CC=C4Br 1 3.58 2 3 -4.27147213869235 5969468 CC(C)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)N2C)CCN3CCOCC3 1 3.592 3 2 -7.09654890966688 5969229 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN/C=C\2/C(=NC(=NC3=CC=CC=C3)S2)Cl 1 4.802 4 2 -5.7371776737043e-002 5969170 CC1=C2C(N(C(=O)N=C2N(N1)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl 1 4.826 4 1 -5.45527073301063 5968947 C1=CC=C2C(=C1)C(=CN2CC(=O)O)/C=C/3\C(=O)N(C(=O)N3)C4=CC=C(C=C4)Cl 1 3.164 3 4 0 -4.88017303149734 5968941 CC1=CC=C(O1)C2/C(=C(/C3=C(N=C4N3C=CC=C4)C)\O)/C(=O)C(=O)N2CCN(C)C 1 1.4 4 4 0 -11.1478723642636 5968932 C1CC(OC1)CNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 1.466 2 6 0 -16.099119274284 5968624 CC1=C(C=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=CO2)S(=O)(=O)N(C)C 1 1.788 2 6 0 -13.4214929086324 5968610 CCOC1=CC=C(C=C1)NC(=S)/C(=C(/C2=CC(=C(C=C2)C)[N+](=O)[O-])\[O-])/[N+]3=CC=CC=C3 1 4.811 3 4 0 -6.62138286803921 5968053 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3/C=C(/C#N)\C(=O)NCC4=CC=CO4)C5=CC=CC=C5 1 3.861 5 4 0 -15.8884901517772 5967999 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)NNC=C3C=C(C(=O)C(=C3)OC)OC 1 1.755 3 4 0 -2.35404704272405 5967725 CC1=CC(=C(C=C1)Cl)N/C=C/C(=O)C2=CC=CC=C2 1 4.193 1 1 1.28544313572965 5967902 CC1=CC(=CC=C1)NNC2=C3C=C(C=CC3=NC2=O)Br 1 2.82 3 1 -0.140210552795188 5967432 C/C=C/C1=CC(=C(C=C1)OCC(CN2CCCCCCC2)O)OC 1 4.208 1 3 -8.37440616830976 5967303 COC1=C(C=C(C=C1)/C=C/C(=O)NC2CCCCCC2)S(=O)(=O)N3CCOCC3 1 2.608 2 5 0 -22.431814831612 5967258 C1=CC(=C(C=C1NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])C(=O)O)Cl 1 1.917 4 5 0 -6.28732640042809 5966551 C/C(=C(/C#N)\C(=O)CSC1=NN=C(S1)NC2=CC=CC=C2)/N 1 1.422 5 1 0 -16.2098845007655 5966405 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)C2=CNC3=CC=CC=C32)Cl)C4CCS(=O)(=O)C4 1 2.601 3 5 0 -12.9653392575784 5966296 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC(=CC=C5)OCC=C)/O 1 3.238 2 6 0 -16.0873733898686 5966259 COC1=C(C=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O)OC(F)F 1 4.849 1 4 -1.27065429396852 5965991 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(/C(=C(/C4=CC=C(C=C4)Cl)\O)/C(=O)C3=O)C5=CC=CC=C5 1 3.71 3 4 0 -10.1642932925423 5965800 CC\1CCC(C(=O)/C1=C\C2=CC=C(C=C2)NC(=O)CCC(=O)O)C(C)C 1 3.613 1 4 -4.79785411425829 5965679 C1CN(CCN1CC(=O)NC2=CC=CC=C2N3CCOCC3)S(=O)(=O)/C=C/C4=CC=CC=C4 1 1.332 4 4 0 -10.651934218121 5965511 C/C(=C(/C#N)\C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)OC)/N 1 2.902 4 4 0 -26.9765985635605 5965423 CCC1=CC=CC\2=C1N=C/C2=C\NNC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4Cl 1 3.778 4 3 0 -7.61615107191745 5965378 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)/C=C/C3=CC(=C(C=C3)OCC#N)OC 1 3.787 3 5 0 -28.4613297857216 5965132 CC(C)CC(=O)NC1=NN=C(S1)/C=C/C2=CC=C(C=C2)OC 1 3.175 3 2 -10.0242304258049 5965108 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OCC(C)C)OCC 1 4.634 3 4 0 -20.1158399385137 5964892 CCC(C(=O)O)N1C(=O)/C(=C/C2=CC=CN2C)/SC1=S 1 3.127 2 3 -12.2724377806344 5964483 CC1=NC=C(/C(=C/NNC(=O)C2=C(C=CC(=C2)Br)O)/C1=O)CO 1 -7.6e-002 3 4 0 1.92642466700952 5964294 C1=CC=C(C=C1)NN/C=C/2\C(=O)C=CC3=CC=CC=C32 1 2.822 2 1 3.16243887712462 5964246 C1=CC=C(C=C1)C2=C(N=C(N2)NN=C3C=CC(=O)C=C3)C4=CC=CC=C4 1 4.095 4 1 2.06041913174944 5963794 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3C=C2 1 1.541 2 5 0 -13.9299745272973 5963697 CC1=C(C=C(C=C1)/C(=C(/C(=S)NC2=CC=CC=C2C)\[N+]3=CC=CC=C3)/[O-])[N+](=O)[O-] 1 4.965 3 3 -8.17334673380299 5963681 COC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)F)/O 1 2.454 2 5 0 -8.57802823687832 5963418 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2CCS(=O)(=O)C2)O 1 0.462 1 7 0 -12.8766832235022 5963413 C1=CC(=CC=C1C2=N/C(=C\NC3=NC=C(C=C3)Br)/C(=O)O2)Br 1 3.067 3 2 -8.51139942645196 5962919 C1=COC(=C1)CN2C(=O)/C(=C\NC3=CC=C(C=C3)C(=O)N)/C(=O)NC2=O 1 0.179 4 5 0 -12.729142930076 5962759 COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=CC=C3F)OC 1 2.698 2 4 -9.03830963437959 5962312 CC1CN(CC(O1)C)CC2=CC(=O)OC3=C2C=CC(=C3)O 1 2.134 1 4 -6.21755921620336 5962296 CN1C2=CC=CC=C2/C(=N/NC3=NC(=CS3)C4=CC=CC=C4)/C1=O 1 3.042 4 1 3.31228944736904 5962285 CC1CCC2=C(C1)C=C(S2)C(=O)NNC=C3C=CC(=O)C=C3 1 2.595 2 2 -5.73344018022904 5962046 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 3.701 1 5 -6.79834699118918 5961910 COC1=CC=C(C=C1)/C=C/C2=N/C(=C/3\C=CC=CC3=O)/NN2 1 2.146 3 2 -3.1773100212021 5961600 C1=CC=C2C(=C1)N=C(N2CC(=O)NNC3=C4C=C(C=CC4=NC3=O)Br)C(F)(F)F 1 2.49 5 2 0 -6.84287256541548 5961350 CCCCC(=O)NN/C=C/1\C(=O)NC(=S)N(C1=O)C2CC2 1 0.622 4 3 0 -12.377326504192 5961346 C\1C(ON/C1=C/2\C=CC=CC2=O)C(=O)NC3=C(C=CC(=C3)Cl)O 1 1.259 2 4 0 -2.39032040065168 5961228 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=C(C=CC(=C3)Br)O)/C=N2 1 2.19 3 2 3.248974775102 5961114 CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)N2 1 1.596 3 2 0 -13.2714391031702 5961104 CN(C)C1=C(N=C(O1)/C=C/C2=CC=CC=C2)C#N 1 2.714 3 1 -1.15218396504731 5960745 C1=CC(=C(C=C1C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)NC(=O)S3)Cl 1 3.441 1 5 4.62590535670117 5960658 COC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(F)(F)F 1 4.008 1 2 -4.36963975425908 5960475 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)/C=C/C4=CC=C(C=C4)Cl 1 3.749 4 4 0 -2.25629190205874 5960369 COC1=CC=C/C(=C\NN2C(=NNC2=S)COC3=CC=CC=C3)/C1=O 1 1.593 4 3 0 -7.1507336634135 5960225 CN(C)CCN/C=C/1\C2=CC=CC=C2C(=O)N(C1=O)CC3=CC4=C(C=C3)OCO4 1 1.785 3 4 0 -6.26317796321412 5960120 C1C2CC3CC1CC(C2)(C3)C(=O)NN/C=C/4\C=C(C=C(C4=O)Br)[N+](=O)[O-] 1 2.093 3 4 0 -2.27078299683337 5959900 CCC1=NN=C(S1)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=NC=C(C=C4)Cl 1 2.708 5 2 0 -7.91812847388297 5959873 C1/C(=C/2\C=CC(=O)C=C2O)/NN=C(S1)NCC3=CC4=C(C=C3)OCO4 1 1.601 3 4 0 -11.3763791386661 5959499 C1=COC(=C1)CNC(=O)COC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl 1 3.307 1 4 -7.60091419910188 5959377 C/C(=C\1/C=CC=CC1=O)/NNC(=S)NCCOC 1 0.937 3 2 0 -12.2025822860962 5959233 CC1=NN(C(=C1)NC(=O)/C=C/C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N3 1 3.978 5 1 -0.920558329146829 5959012 C1COCCN1C2=CC=C(C=C2)C(=O)/C=C/C3=CC(=CC=C3)O 1 3.309 1 3 3.29547093426446 5958794 CCCCC(CC)COCCCNC=C1C(=O)NC(=S)NC1=O 1 2.198 3 3 -13.9591060955586 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-17.9230765928302 5954307 CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)OC)/O 1 2.734 2 5 0 -9.28990526234357 5954245 COC1=CC=CC=C1CN2C3=CC=CC=C3N=C2/C=C/C4=CC=CC=C4 1 5.511 2 1 2.19065538818978 5953984 C1=CC=C(C(=C1)C(=O)NN2C(=O)/C(=C/C=C/C3=CC=CO3)/SC2=S)O 1 3.501 2 4 0.432217902549143 5953971 C1CS(=O)(=O)CC1NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)F 1 0.926 1 5 0 -13.8713012264323 5953944 C1=CC=C2C(=C1)C=CC(=N2)/C=C/C(=O)OCC(=O)N 1 1.621 2 3 0 -2.80856689985168 5953897 C1=COC(=C1)/C=C/C=C\2/C(=O)N(C(=O)S2)C3=CC=C(C=C3)O 1 3.345 1 4 5.33094249888684 5953874 C1=COC(=C1)/C=C\2/C(=O)N(C(=N)S2)C3=NC=CS3 1 2.171 3 2 -3.43233799897605 5953833 COC1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)F)/O)/C(=O)C(=O)N2CCCN4CCOCC4 1 2.454 2 5 0 -8.57802823687832 5953249 COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)OC(=N2)C3CCCCC3 1 3.725 1 5 -8.58013884866779 5952882 CC1=C(C(=NN1CC(=O)NN/C(=C/2\C=CC(=O)C(=C2)OC)/C)C)[N+](=O)[O-] 1 3.2e-002 5 5 0 -9.51517354312861 5952780 CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/NC3=CC(=C(C=C3)O)C(=O)O 1 3.254 2 5 0 -8.40577279017777 5952832 CCCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC(=CC(=C4)C)C)C)/C(=O)N=C2S1 1 5.693 5 1 -15.1503993399314 5952637 CC1=CC=C(S1)/C=C/C(=O)C2=CC=C(C=C2)N3CCOCC3 1 3.65 1 2 2.45000087160715 5952552 C1CCC(=O)C(C1)OC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 2.932 1 5 -8.7687532548898 5952293 C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)/C=C\4/C(=O)N(C(=S)S4)C(CC(=O)O)C(=O)O 1 4.089 2 6 0 -6.4984527911555 5952111 C1=CC2=C(C(=O)N=C2C=C1)NNC3=CC(=CC=C3)Cl 1 2.545 3 1 -0.570408646742483 5952073 C1=CC=C(C(=C1)C2=C(C(=O)ON2)/C=C/3\C=CC=C(C3=O)[N+](=O)[O-])[N+](=O)[O-] 1 1.45 3 7 0 -5.92910868769345 5951900 CCOC(=O)C1=C(N=C2N=CNN2C1C3=C(C(=C(C=C3)OC)OC)OC)C4=CC=CC=C4 1 2.18 4 5 0 -12.391293042507 5951923 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 0.821 2 7 0 -18.0062608532962 5951878 C1CN2C(CN/C(=C\C(=O)C3=CC=CC=C3)/C2=O)C4=CC=CC=C41 1 2.338 2 2 -6.67942191827107 5951727 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)/C=C/C3=CC=C(C=C3)OC(F)F 1 3.173 2 6 0 -17.3999364030664 5951380 CC1=CC(=C(C=C1)N2C(=O)/C(=C\NCC3CCCO3)/C(=O)NC2=O)C 1 1.464 3 4 0 -10.2619545399425 5951383 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NNC2=C3C=CC=CC3=NC2=O)C4=CC(=C(C=C4)C)C 1 3.119 4 4 0 -15.3030682257234 5951259 CC1=CC=CC=C1NC(=S)/C(=C(/C2=C(N(C(=C2)C)CC3=CC=CC=C3Cl)C)\[O-])/[N+]4=CC=CC=C4 1 6.423 3 1 -10.1062367259385 5951082 CC1=NN(C(=C1/C=C(\C#N)/C(=O)NCC=C)Cl)C2=CC=C(C=C2)Cl 1 3.594 4 1 -11.7364448319049 5951027 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)/C=C/C3=CC(=C(C=C3)OCC#N)OC 1 2.064 4 6 0 -26.2576066533151 5951015 CCOC1=CC(=O)/C(=C/NNC(=O)C(C2=CC=CC=C2)O)/C=C1 1 0.426 2 4 0 -8.47908057773128 5950891 C1CS(=O)(=O)CC1NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 0.488 1 7 0 -16.2499518738103 5950645 CC1=C(C=CC=C1[N+](=O)[O-])N/N=C/2\C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.638 7 5 0 -5.80867313634247 5950432 C1C/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)NC5CCS(=O)(=O)C5 1 3.765 3 7 0 -18.5026928280899 5950339 C1=C/C(=C\C2=C(NOC2=O)C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)C=C1 1 1.708 2 5 0 -5.24989422818777 5950183 CSC1=CC=C(C=C1)/C=C/C(=O)NC23CC4CC(C2)CC(C4)C3 1 4.19 1 1 -2.44031048353389 5949975 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)/C=C/C2=CC=CO2 1 1.999 2 6 0 -18.0200652281714 5949936 CCCC1=CC(=C(C=C1)O)N/C=C/2\C=C(C=C(C2=O)OCC)Br 1 3.745 1 3 1.87310123916568 5949916 CC1=C(C=C2C(=N1)N=C(N2)SCC(=O)C3=CC=CC=C3)Br 1 3.76 3 1 -3.30084140699755 5949904 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)/C=C/C2=CC=CC=C2OC)N 1 0.693 3 6 0 -14.4099400416414 5949810 CC1=CC=C(C=C1)S(=O)(=O)/C=C/2\NC(=O)CS2 1 1.346 1 3 0 -8.88827095021793 5949716 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-])Cl)C3CCS(=O)(=O)C3 1 1.583 4 7 0 -18.9430072434402 5949707 C1OC2=C(O1)C=C(C(=C2)NN=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-] 1 1.215 5 6 0 -10.4463330088713 5949475 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NNC4=C5C=C(C=CC5=NC4=O)Cl 1 3.571 4 2 -9.07720409546869 5949306 C1C(N=C2N=CNN2C1=O)C(=O)NC3=CC=CC=C3 1 -0.559 5 2 0 -3.82891394131531 5949233 C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC(=O)OC2=CC=CC=C2 1 3.348 2 3 -11.326947640422 5949133 CCOC1=CC=CC(=C1)C2/C(=C(\C3=CC4=C(C=C3)OC(C4)C)/O)/C(=O)C(=O)N2CCCN5CCOCC5 1 3.033 2 6 0 -11.0717516910341 5948928 COC(=O)C1=CC(=CC(=C1)N/N=C/2\C(=O)C=CC3=CC=CC=C32)C(=O)OC 1 3.318 2 5 0 -7.66524800423605 5948984 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 5.357 4 2 -15.5012063909615 5948913 CC1=NON=C1C(=O)NN/C=C/2\C=CC(=O)C(=C2)OC 1 -0.79 4 4 0 -7.41387860029919 5948802 CS(=O)(=O)NC1=NC2=NC(CC(N2N1)C3=CC=C(C=C3)F)C4=CC=CC=C4 1 2.557 5 2 0 -1.54918925180188 5948563 COC1=CC=CC(=C1)N2C3=CC=CC=[N+]3/C(=C(/NC4=CC=C(C=C4)C(F)(F)F)\[O-])/C2=S 1 5.584 3 2 1.44639588357481 5948743 CCC1=CC=C(C=C1)NC(=O)C2CC(=O)N=C3N2NC=N3 1 1.029 5 2 0 -7.61228844028063 5948551 CC(C)(C)C(=O)/C(=C\C1=CC=C(C=C1)[N+](=O)[O-])/N2C=NC=N2 1 2.715 4 3 0 -8.48650982002797 5948247 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=C(C=C5)C(=O)OC)/O 1 2.556 2 7 0 -13.255596243425 5948110 CC1=NN=C(N1N)NN/C=C/2\C=CC=CC2=O 1 -1.191 6 1 0 -7.73187078072332 5947924 COCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC(=C(C=C4)O)OC 1 0.791 2 9 0 -22.3461379705195 5947582 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)/C=C/C4=CC=CC=C4 1 1.737 3 5 0 -18.359248883528 5947496 CCC(=C1C=CC(=O)C=C1)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.598 4 5 0 -3.78839971451775 5947491 C1CCC(CC1)N2C(=O)/C(=C/C3=CC=NC=C3)/SC2=S 1 3.754 2 1 -7.72070157569893 5947157 CC1=CC=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C 1 3.521 2 1 -3.50672348073581 5946952 COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=N3)OC 1 2.696 3 3 -5.91422327644118 5946965 C1COCCN1CCCN/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5 1 1.535 3 5 0 -9.47985688615645 5946788 CCN1C(=O)/C(=C\C2=CC=C(O2)C3=CC(=CC=C3)C(=O)OC)/SC1=NC4=CC=C(C=C4)C(=O)O 1 5.024 2 6 0 -3.79090999367829 5946685 COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)OC 1 6.072 3 4 0 5.26226499501694 5946621 C1=CNC(=C1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)F 1 2.999 1 3 -3.27791324840656 5946347 C1CN(CCC1C(=O)NCCN2C(=O)/C(=C/C3=CC=C(C=C3)F)/SC2=O)S(=O)(=O)C4=CC=CS4 1 2.586 3 5 0 -19.7700156953535 5946367 COCCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC=C(C=C4)Cl 1 1.776 2 7 0 -21.9462298224923 5946454 CC(C)C1=CC=C(C=C1)C2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(=O)N2CCCN4CCOCC4 1 3.459 2 4 -9.38912692405714 5946100 C1CS(=O)(=O)CC1NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F 1 1.662 1 5 0 -9.91963574764567 5945792 COC1=CC(=C(C=C1)OC)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 3.173 3 5 0 -13.4101734492873 5945784 CC1(CC(CC(N1)(C)C)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)C 1 2.386 3 4 0 -7.52886244307977 5945725 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 3.686 1 4 -2.19933876516658 5945645 C1=CC(=CC(=C1)S(=O)(=O)NNC=C2C=CC(=O)C=C2)[N+](=O)[O-] 1 0.604 3 5 0 -6.52053225698171 5945312 CC(C(=O)C1=CC=CC=C1)OC(=O)/C=C/C2=CC(=C(C=C2)OC)OC 1 3.86 0 5 -9.08976382730844 5945310 CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)C(=C4NC5=CC=CC=C5N4)C#N 1 6.1 4 3 0 -1.67771610959073 5945218 CCOC1=CC=C(C=C1)C(=O)/C=C/NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N 1 1.269 4 4 0 -5.83744490048782 5945017 CC1=CC=C(C=C1)C\2=NN=C/C2=C\NN3C(=NC4=CC=CC=C4C3=O)C 1 2.362 5 1 -6.54572267824321 5944653 CC\1=NC2=CC=CC=C2/C1=C/NN3C=NN=C3 1 0.124 5 0 0 -3.79922466963252 5944368 C1CS(=O)(=O)CC1NC(=O)COC(=O)/C=C/C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5 1 2.679 3 7 0 -5.3954777231817 5944122 C1=CC=C(C=C1)COC2=CC\3=C(C=C2)N=C/C3=C\NNC(=S)N 1 2.367 4 1 -2.14050262867475 5944078 CC1(C(C(N=C2N1C(=NN2)C(F)(F)F)C3=CC=C(C=C3)OC)C(=O)OC)O 1 1.644 4 4 0 -4.76764068527275 5943869 CC1=[N+](N(C(=O)C1N=C/C=C/C2=CC=CC=C2OC)C3=CC=CC=C3)C 1 3.125 3 2 4.80179427109355 5943862 C1=CC=C(C=C1)OCC(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 2.886 2 3 4.21280419138445 5943833 CN1C2=CC=CC=C2/C(=N/NC3=CC=CC=C3[N+](=O)[O-])/C1=O 1 2.63 4 3 0 -3.32083018420599 5943823 COC1=CC=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCCC4 1 2.47 5 3 0 -21.2449053758735 5943820 CCOC1=CC=C/C(=C\C=C/2\C=CC3=C(N2)C(=CC=C3)O)/C1=O 1 2.748 1 3 1.40632087781765 5943634 COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=CC=C3F 1 2.682 2 5 0 -8.26372731622211 5943627 CC1CCCCC1NC(=O)/C(=C/C2=CC=C(C=C2)NC(=O)C)/C#N 1 2.643 3 2 -18.3808877498321 5943578 CC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)C/C=C/C3=CC=CC=C3 1 3.434 3 2 -1.33552284967826 5943574 COC1=C(C=CC(=C1)/C=C(\C(=O)O)/SC2=NN=C(O2)C3=CC=C(C=C3)F)OC(F)F 1 4.585 2 5 0 -3.00969054128647 5943495 C1=C/C(=C\C2=C(NOC2=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/C(=O)C(=C1)[N+](=O)[O-] 1 2.115 3 7 0 -5.31033264124444 5943296 CC1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NC4CCS(=O)(=O)C4 1 1.472 4 5 0 -24.136359145456 5942970 C1C/C(=C\C2=CC=C(C=C2)F)/C3=C(C1)C(N4C(=N3)N=CN4)C5=CC=C(C=C5)F 1 3.921 4 0 -4.37201170092529 5942664 CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C(C3=CC=CC=C3)C(=O)O)OC 1 4.563 1 5 -14.4007826813929 5942478 CC1=C(C=C(C=C1)[N+](=O)[O-])N/N=C/2\C(=NN(C2=O)C(=S)N)C 1 2.069 6 3 0 -3.39700629134818 5942398 CC(C)N1C2=CC=CC=C2/C(=C/C3=NC(=O)C4=CC=CC=C4N3)/C1=O 1 2.808 3 2 -6.61990162088264 5942246 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 4.e-003 4 6 0 -8.37397060805158 5942140 C1C2CC3CC1CC(C2)(C3)NC(=O)NN/C=C/4\C=CC=CC4=O 1 1.481 3 2 0 -7.10544255293701 5942131 C1=CSC(=C1)C(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 3.004 2 2 1.74540453592355 5941978 CCO/C(=C/1\C(N(C(=O)C1=O)CC2=CN=CC=C2)C3=CC=C(C=C3)C)/O 1 2.56 2 4 -6.75378897307758 5941946 CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC(C)O)C3=CC(=CC=C3)F)/O 1 2.905 1 4 -5.89534586606047 5941838 COC1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C(C3=CC=CC=C3)C(=O)O)OC 1 4.214 1 5 -8.06078124974089 5941733 C1=CC=C(C(=C1)C(=O)/C(=C\2/NC3=C(S2)C=CC(=C3)C(F)(F)F)/C#N)F 1 4.999 2 1 -1.57187805547722 5941347 C1=CC(=CC=C1S(=O)(=O)O/N=C(/C2=CC=NC=C2)\N)Cl 1 1.757 3 3 0 1.66201582744708 5941338 COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CNC4=C3C=C(C=C4)Br)/C(=O)NC2=O 1 3.672 3 4 0 3.61985152870248 5941173 COC1=CC(=C/C(=C\NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)/C1=O)[N+](=O)[O-] 1 1.365 3 6 0 -8.03459437453235 5940564 C1=C/C(=C\2/NC(=NC(=N2)N)/C=C/C3=CC=C(C=C3)F)/C(=O)C=C1 1 2.695 4 1 -1.87750985183109 5940520 CC\1=NC2=CC=CC=C2/C1=N/NC3=CC=CC=C3C(=O)O 1 2.942 3 2 -5.25188165322872 5940518 C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C/C(=O)O 1 2.957 3 2 -1.58332261489309 5940455 COC1=CC=C/C(=C\NN2C(=NN=C2SC)C3=CC=CC=C3)/C1=O 1 2.065 4 2 -2.91239073197368 5940196 C1CN(CCN1CC2=CC=CC=C2)/C=C/C(=O)C(F)(F)F 1 2.679 2 1 1.14921675915044 5940138 C1=CC(=C(C=C1F)NC(=O)/C=C/C(=O)O)F 1 1.604 1 3 0 -3.10544826854113 5940104 COC1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4 1 3.306 6 2 0 1.19126107142056 5940103 CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=CO4)/O)C)C(=O)OC 1 1.363 3 7 0 -17.6821555753413 5985345 CCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)/C=C/C3=CC=CO3 1 2.53 1 5 -12.6019855709958 5985231 CC1=C2C(C3=C(CC(CC3=O)(C)C)N=C2ON1)C4=CC=C(C=C4)N(C)C 1 2.527 3 2 -20.0697924125207 5985090 C/C(=C\1/C=C(C=CC1=O)F)/NNC2=CC(=CC=C2)[N+](=O)[O-] 1 2.09 3 3 -2.34869798732473 5939997 CC1CC1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=C(C(=CC=C3)Cl)Cl 1 4.8 2 2 -17.30832316379 5939927 C/C(=C\1/C=C(C=C(C1=O)F)F)/NNC(=S)NCC(C)(C)C 1 2.353 3 1 -6.58364832656925 5939915 CC1=CC=C(C=C1)SC2=C(S(=O)C3=C2C=CC(=C3)OC)C4=CC=C(C=C4)OC 1 4.973 0 3 4.13773516192908 5939879 CCOC1=CC(=O)/C(=C\2/C(=CN=C(N2)N)OC3=CC(=CC=C3)OC)/C=C1 1 1.088 3 4 0 -6.50278515746279 5939838 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)C)/NCCC3=CNC4=CC=CC=C43 1 3.855 4 3 0 -10.8826547404056 5939824 C1=CC=C(C=C1)/C=C/C2=NNC(=S)O2 1 3.011 2 1 -1.92446614151899 5939618 CC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NNC3=C4C=CC=CC4=NC3=O 1 1.484 5 2 0 -4.8776863636169 5939577 CCN1C(=O)/C(=C\NC2CCCC(C2C)C)/SC1=S 1 3.312 2 1 -7.94466102709261 5984865 C1CC2=CC=CC=C2C3=C(C1)C(N4C(=N3)N=CN4)C5=CC=CC=C5C(F)(F)F 1 4.025 4 0 -3.87839433953204 5984789 C/C=C\1/CN2C3CC1C(C2CC4=C3N(C5=CC=CC=C45)C)(CO)C(=O)OC 1 2.941 2 3 3.05292464995507 5939467 C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)NC=C5C=CC(=O)C=C5 1 2.728 3 1 -0.144762150678188 5939329 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=CC(=CC=C3)O)/C=N2 1 1.442 3 2 0 -0.873801859782204 5939422 C1=CC=C(C=C1)C(=O)/C(=C/C2=CC=CS2)/C#N 1 3.494 1 1 -10.8114107803901 5939401 CSC1=NC2=CC=CC=C2C=C1/C=C(\C#N)/C3=CC(=C(C=C3)Cl)Cl 1 6.251 2 0 -4.53610113326861 5939371 CC1=C(C(=O)N=C(N1)/C=C/C2=CC=CC=C2)C3=CC=CC=C3 1 3.377 2 1 -4.04272526331372 5939237 CN(C)CC1=C2C(=CC(=C1O)Cl)C3=C(CCCC3)C(=O)O2 1 3.829 1 3 -1.39649478713284 5939160 COC1=C(C=C(C=C1)CN/C(=C/2\C(=O)C3=CC(=C(C=C3NC2=O)OC)OC)/O)OC 1 2.06 2 7 0 -12.2910865118978 5939214 CSC1=NC2=CC=CC=C2C=C1/C=C(\C#N)/C3=C(C=C(C=C3)Cl)Cl 1 6.251 2 0 -2.05958294994138 5939086 CC1=CC(=O)/C(=C/2\CC(=NC3=CC=CC=C3N2)C4=CC=CS4)/C=C1 1 4.175 2 1 -10.7348815459977 5939116 COC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3CN4CCOCC4)O 1 2.155 1 6 0 -0.952501453464956 5939114 CCC(=C1C(=O)N(C(=O)N(C1=O)C)C)NCCC2=CNC3=CC=CC=C32 1 1.998 4 3 0 -14.4302011846835 5939037 CC1=CC=C(C=C1)/C=C/C(=O)C2=C(N=C3N2C=CC=C3)C 1 3.639 2 1 -1.63843309777118 5938988 COC1=CC=C(C=C1)OCC(=O)O/N=C(/CC2=CC=C(C=C2)Cl)\N 1 2.905 2 4 4.06053119035875 5938925 CCN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)/C=C/C3=CC=CO3)/C1=O 1 1.242 4 4 0 -11.9870012055546 5938798 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(\C(=O)NCCO)/NC(=O)C2=CC=CO2 1 0.745 3 6 0 -20.1615422097384 5938754 COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)F)OC(=O)C3=CC=CC=C3OC)OC 1 5.29 0 6 -4.40323088776202 5938737 CC1(C(N(C(=S)S1)C2=CC=CC=C2)/[N+](=C/C3=CC(=C(C=C3)OC)OC)/[O-])C 1 5.184 2 3 -7.48463733945681 5938652 COC1=CC=C/C(=C\NNC(=O)CNC(=O)C2=CC=NC=C2)/C1=O 1 -1.396 4 4 0 -12.3106849775727 5938579 CON/C=C(\C=NC1=CC=C(C=C1)F)/C2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.616 3 1 7.78757778760548 5938440 COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(O2)[N+](=O)[O-] 1 3.099 1 5 2.75532897183036 5938422 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NCCC2=CC=CC=C2 1 2.115 3 3 -14.1401320212757 5938397 CSC1=CC=C(C=C1)NC(=O)/C=C/C(=O)O 1 1.735 1 3 0 -1.95936857669008 5938390 CN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)OC 1 0.589 5 3 0 -13.7823041502189 5938363 CC1=C2C(SCC(=O)N=C2N(N1)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC 1 2.831 3 3 -13.6589337596554 5938353 CN(C)C1=CC=C(C=C1)/C=C(\C(=O)NCCN2CCOCC2)/NC(=O)C3=CC=CC=C3Cl 1 2.647 4 3 0 -22.9782568579719 5937999 CC1=CC(=NN1/C(=C/N(C)C)/C(=O)C2=CC=C(C=C2)OC)C 1 2.067 3 2 -7.78792160280937 5937990 CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NCCOC 1 0.296 5 4 0 -29.0447766358089 5937952 C1=CC=C(C=C1)/C=C/C2=NN=C(O2)SCC3=C(C=C(C=C3)Cl)Cl 1 5.592 2 1 -4.8094828210681 5937897 CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/NC(=S)NC3=CC=CC(=C3)C 1 5.504 3 2 -10.6714594561064 5937418 C1C(N2C(=O)C3=CC=CC=C3NC2=N1)CSC4=CC=C(C=C4)F 1 3.274 3 1 -9.09293036258239 5937411 CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NCCCN3CCOCC3 1 3.186 3 3 -20.7466082072291 5937406 CCCCCCCCC/C(=C\1/C=CC=CN1)/N=O 1 4.122 2 1 -6.66515027164613 5937396 CC(=C1C=CC(=O)C=C1)NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C4=CC=CC=C4 1 1.667 9 3 0 -20.1813743428737 5937381 C1CCC2=C(C1)C\3=C(O2)C=C(C(=O)/C3=C\NNC(=S)N)Br 1 2.404 3 2 -3.85566332854388 5937364 C1=CC=C(C=C1)N/C=C\2/C3=CC=CC=C3C(=O)S2 1 3.021 1 1 -2.84148822204637 5937184 C1=CC(=C(C=C1Cl)Cl)/C=C/C2=NC=CN2 1 3.438 2 0 3.80636184252799 5937287 C/C(=C(\C(=O)NC1=CC=CC=C1)/N=O)/NNC2=CC=C(C=C2)Cl 1 3.225 4 2 -0.653646346634883 5937224 C1=CC=C(C=C1)/C=C/CSC2=NN=CN2C(=O)/C=C/C3=CC=CC=C3 1 4.45 3 1 -4.24656174404572 5937046 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N=C(S2)N3CCCC(C3)C(=O)OCC)O 1 3.31 2 5 0 -9.64161247259485 5936724 C1=CC=C2C(=C1)/C(=C/NNC3=CC=CC=N3)/C=N2 1 1.837 4 0 0 2.47373183814347 5936723 CCCOC(=O)CCCN1C(=O)/C(=C\2/C(=O)N(C(=S)S2)CCCC(=O)OCCC)/SC1=S 1 4.576 2 6 0 -13.2048456842184 5936719 CC1=CC(=O)/C(=C/NNC(=O)CN2C3=CC=CC=C3N=C2CC4=CC(=C(C=C4)OC)OC)/C=C1 1 2.953 4 4 0 -12.0337796829945 5936705 CC(C)N1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)C3=CN=CC=C3)/C1=O 1 0.605 5 3 0 -15.6619556921853 5936537 CC(=C1C(=O)NC(=O)NC1=O)NN(C)C2=CC=CC=C2 1 0.598 4 3 0 -10.3072778998089 5936486 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NCCCN3C=CN=C3 1 1.752 4 2 0 -18.0746163852592 5936449 CC1=CC(=O)/C(=C/2\CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)F)/C(=O)O1 1 3.938 1 3 -7.83719543014764 5936418 CC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OC)/C=C/C3=CC=CC=C3 1 3.159 2 3 -15.2162108482164 5936414 COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CS2)OC(=O)N3CCOCC3 1 3.296 1 5 -6.0122446672789 5936289 COC1=C/C(=C/NN2C(=O)C3C4CCC(C3C2=O)C=C4)/C=CC1=O 1 0.223 2 4 0 0.276734793224264 5936285 CCC1=CC(N2C(=N1)N=CN2)C3=CC=CC=C3 1 1.354 4 0 0 -3.52919218501344 5936247 COC1=CC=CC=C1C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5=CN=CC=C5 1 2.578 2 6 0 -10.3569193272802 5936231 CN1/C(=C/C2=CC=C(C=C2)Br)/C(=O)N=C1N 1 1.745 3 1 0 -1.63624569488944 5936209 C1CCN(C1)C2=C(C=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)[N+](=O)[O-] 1 4.095 5 2 0 -1.44545025961341 5936093 C1=CC=C2C(=C1)N=C(O2)/C=C/C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F 1 4.738 2 2 -0.957130478544669 5936077 COC1=C(C=C(C=C1)CC2=NNC(=NC2=O)NNC=C3C=CC(=O)C=C3)OC 1 0.981 5 4 0 -14.1743147912377 5936070 CC1=CC=C(C=C1)C2=C(SC(=N2)/C(=C/C3=CC(=C(C=C3)Cl)Cl)/C#N)NC(=O)C 1 5.524 3 1 -7.54688531022996 5935985 CC1=CC=C(C=C1)SCC(=O)O/N=C(/C2=CC=NC=C2)\N 1 2.116 3 2 1.39973317175335 5935967 COC1=CC=C/C(=C\NC2=C(C=C(O2)C3=CC=CC=C3)C#N)/C1=O 1 2.704 2 3 -0.550072543921732 5935953 CCCCN1C(=O)/C(=C(\CC)/NN2CCCCC2C3=CN=CC=C3)/C(=O)NC1=S 1 2.843 5 2 0 -3.4616072488466 5935837 C1=CC=C2C(=C1)N=C(S2)SCC(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 1.768 4 4 0 -9.15611068061631 5935708 CC1=CC=C(O1)C2/C(=C(/C3=C(NC(=C3C)C(=O)OC)C)\O)/C(=O)C(=O)N2CCN4CCOCC4 1 1.508 3 7 0 -17.2238754611182 5935675 C1C(OC2=CC=CC=C2O1)CNC(=O)/C=C/C3=CC=CO3 1 2.364 1 4 -7.196793847393 5935544 CC1=CC(=O)/C(=C(\C)/NNC2=NC(=CS2)C3=CC=CC=C3)/C(=O)O1 1 2.026 3 3 -0.103532070543864 5935509 CN1C(=NN=C1SCC(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-])C3=CC=CC=C3 1 1.179 6 4 0 -11.4711461730304 5935433 CC1=CC(=CC(=C1)C(=O)O/N=C(/C2=CC=C(C=C2)Br)\N)C 1 4.107 2 2 2.91733366610582 5935291 CC(=C1C=CC(=O)C=C1)NNC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC 1 3.349 4 2 7.18028147234549 5935284 CN1C=CC=C1/C=C\2/C(=O)N(C(=S)S2)C(CCSC)C(=O)O 1 2.931 2 3 -15.7311680238746 5935268 COC1=CC=C(C=C1)/C=C(\C(=O)NCCCCCC(=O)O)/NC(=O)/C=C/C2=CC=CC=C2 1 3.409 2 5 0 -22.4334246282169 5935228 COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC 1 3.059 3 7 0 -13.3011553467775 5935208 CN(C)CCN1C(/C(=C(/C2=CC3=C(C=C2)OCCO3)\O)/C(=O)C1=O)C4=CC=CC=N4 1 1.471 3 5 0 -9.37081932750773 5935107 COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)N3C(=O)CCCC3=O 1 2.696 2 4 -7.86111926775148 5935063 C1=CC=C2C(=C1)C=CC(=N2)/C(=C/C3=CC=C(C=C3)Cl)/C(=O)C(=O)O 1 4.561 1 3 -0.498192601106624 5935029 CC1=CC=CC=C1N2C(=O)/C(=C(/C)\NCC3=CC=CO3)/C(=O)NC2=O 1 1.898 3 4 0 -9.64560727751253 5934875 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.332 3 3 -17.9709654097018 5934786 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)/NCC3CCCO3 1 1.513 3 5 0 -13.2099460689978 5934774 C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)Cl)C(=O)/C=C/C3=CC=CO3 1 2.862 1 4 -9.60079751955686 5934765 CC1=CC=CN2C1=NC(=C2/C=C(\C#N)/C3=CC=C(C=C3)OC)C4=CC=C(C=C4)Cl 1 5.905 3 1 -2.97349410159313 5934763 C1=CC=C(C=C1)C\2=NNC(=O)/C2=C\NC3=CC=CC=C3 1 2.267 3 1 -7.96748321957164 5934643 CC1=CC(=CC=C1)NC(=O)CCC(=O)NN/C=C/2\C=CC(=O)C=C2O 1 0.291 3 4 0 -5.64125584734278 5934618 CC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=C(N2)C)C(=O)OC)C 1 4.06 1 3 -4.92980434122634 5934571 COCCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC=C(C=C4)OC 1 1.096 2 8 0 -24.0124218733138 5934545 CCOC(=O)C(=O)/C(=C\N(C)C)/C1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC 1 3.091 2 6 0 -4.10331643799327 5934525 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)NCCCO)/NC(=O)C 1 1.474 2 6 0 -22.9261496894271 5934521 CC1=CC=C(C=C1)NCCCC(=O)NN/C=C/2\C=CC=C(C2=O)CC=C 1 2.691 3 2 -13.4203074371549 5934496 C1=CC=C2C(=C1)C(=CN2)CCC(=O)NNC3=C4C=CC=CC4=NC3=O 1 1.9 4 2 0 -13.0910740822577 5934147 C1=CC(=CC(=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O 1 1.12 2 6 0 -5.28306251411278 5934146 C1COC(C2=CC=CC=C21)CNC(=O)/C=C/C3=CC=CO3 1 2.457 1 3 -12.7169379547576 5934127 CCCCCCCCNC=C1C(=O)NC(=O)NC1=O 1 1.504 3 3 0 -13.2055443001096 5934093 CCC1=CC2=C(C(=O)N=C2C=C1)NNC3=NC(=O)CS3 1 1.286 4 2 0 -8.3042518404245 5934052 CCCCN1C(=O)/C(=C(\CC)/NCCCN2C=CN=C2)/C(=O)NC1=O 1 0.727 5 3 0 -8.74690809721455 5934026 CC(C1=NC2=CC=CC=C2N1CC3=CC=CC=C3F)NC(=O)/C=C/C4=CC=CO4 1 4.672 3 2 -11.3158559296232 5933968 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)/NCCCN3C=CN=C3 1 0.958 5 4 0 -7.3168476472605 5933933 CCCCN1C(=O)/C(=C(\CC)/NCC2=CC(=CC(=C2)OC)OC)/C(=O)NC1=O 1 2.473 3 5 0 -12.6386445121025 5933923 C/C(=C\1/C=C(C=C(C1=O)Cl)Cl)/NO 1 1.231 1 2 0 0.959085572287346 5933903 CC1=C(C2=C(N1)C=CC(=C2)OC)C(=O)CN3CCN(CC3)C/C=C/C4=CC=CC=C4 1 4.007 3 2 6.01596200545846 5933896 CN(C)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCO 1 2.79 3 2 -5.03334075097828 5933890 CC1=C(C2=CC=CC=C2N1)/C=C/C(=O)C3=CC=CC=C3 1 4.14 1 1 -6.89539498182017e-002 5933865 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NCCOC)N3CCN(CC3)C4=CC=C(C=C4)OC 1 1.913 6 4 0 -22.4039226204338 5933854 C1=CC=C(C=C1)/C=C(\C(=O)N)/NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 2.573 3 3 -15.3355956120922 5933842 CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)N3C(=O)C4CC4C3=O 1 2.685 2 4 -6.5817466545492 5933835 C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)/NC2=O)Cl 1 4.025 2 5 0 0.509576905468812 5933823 C1=CC(=CC=C1C2C3=C(C4=C(C=CC(=C4)Cl)OC3C5=CC=NC=C5)N=C6N2NC=N6)Br 1 4.283 5 1 2.1062163097991e-002 5933652 C=CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C(C3=CC=CC=C3)C(=O)O 1 4.848 1 4 -14.3070557395956 5933614 CCN(CC)CCN1C(/C(=C(/C2=CC3=C(C=C2)OC(C3)C)\O)/C(=O)C1=O)C4=CC=C(C=C4)OC 1 3.631 2 5 0 -8.37606419780717 5933583 COC1=CC=C/C(=C\NNC2=NC3=CC=CC=C3N4C2=NN=C4)/C1=O 1 0.772 6 2 0 1.20619772814956 5933539 CCN(CCO)C1=CC=C(C=C1)N/N=C\2/C=C(N=N2)C 1 3.009 5 1 -7.05348918031332 5933531 CCN1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.04 5 3 0 -12.7421033874128 5933493 CC1=CC=C(C=C1)C(=O)/C=C/NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 3.407 2 4 -1.08266592913061 5933386 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)NC3CCCCC3 1 2.513 3 1 -10.4783862314128 5933276 CC1=CC(=CC=C1)N2C(=O)/C(=C\NNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)/C(=O)NC2=S 1 1.021 8 4 0 -6.54681913694047 5933211 C1CC(OC1)CNC(=O)/C(=C\C2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)/C#N 1 3.202 2 5 0 -14.9394833172906 5933195 C1C(N(N=C1C2=CC=CO2)C(=O)/C=C/C(=O)O)C3=CC=CO3 1 1.679 2 5 0 -6.13918629676562 5933175 C1=CC(=CC=C1CN/C=C\2/C(=NNC2=O)C(F)(F)F)Cl 1 2.075 3 1 -7.2680173598117 5933127 C1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=CS2)/NC3=C(C=C(C=C3)Cl)Cl 1 5.141 2 2 -7.76885679005499 5933035 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN/C(=C/3\C=CC(=O)C(=C3)OC)/C 1 0.62 4 5 0 -19.2244206286828 5932965 COC1=CC=C(C=C1)C2C/C(=C\3/C=CC(=CC3=O)OC)/NN2C(=O)C4=CC=CC=C4 1 2.542 2 4 -4.27309027184403 5932946 CC(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCN5CCOCC5 1 3.182 2 6 0 -11.9558680671465 5932929 C1=CC=C2C(=C1)C=CC\3=C2N=C/C3=C\NNC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.486 4 3 0 -2.82248335352997 5932768 CCC1=C/C(=C/2\C(=C(NN2)C)OC3=CC=C(C=C3)C(C)C)/C(=O)C=C1O 1 2.937 2 3 -5.03721310002221 5932759 CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC=C(C=C4)C 1 2.503 3 6 0 -22.9792933684942 5932704 CCCCN1C(=O)/C(=C(\CC)/NC(C)C2=CC=CC=C2)/C(=O)NC1=O 1 2.884 3 3 -10.5963787248306 5932702 CC1=C(C=CO1)C(=O)NN/C=C/2\C=CC(=O)C(=C2)OC 1 -5.6e-002 2 4 0 -2.82926349414762 5932597 CC1=CC=C(C=C1)C2=C(SC(=N2)NNC=C3C=CC(=O)C=C3)NC(=O)C 1 1.81 4 2 0 0.808989103390336 5932428 CC1=C(C(=O)N2C(=N1)N=C(N2)SC)C/C=C/C3=CC=CC=C3 1 2.766 4 1 -3.80585344939299 5932433 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NN2CCCCCC2 1 0.703 4 3 0 -12.3162520791882 5932448 C/C(=C\1/C=CC=CC1=O)/NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCC5=CC=CC=C54 1 1.742 9 3 0 -31.5077735298038 5932398 CC(C)CN1C2=CC=CC=C2N=C1/C=C/C3=CC=CO3 1 4.531 2 1 1.86826352534493 5932276 C1=CC=C2C(=C1)/C(=C/NNC3=NC(=O)NN=C3)/C=N2 1 -8.7e-002 6 1 0 -7.8207325278436 5932196 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)/NCCCN3C=CN=C3 1 0.982 5 3 0 -7.50127432368609 5932165 CC1=C(SC2=NC=NC(=C12)NN/C=C/3\C=CC=CC3=O)C 1 2.225 4 1 -1.15493480790857 5932055 C1CCC2=C(C1)C\3=C(O2)C=CC(=O)/C3=C\NNC(=O)N 1 0.961 3 3 0 -6.39926858146273 5931994 C1C2C1C(=O)N(C2=O)N3C(=O)/C(=C/C4=CC=CC=C4)/SC3=S 1 2.353 2 3 -5.57450111078139 5931936 CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)N 1 0.221 5 3 0 -20.6461399258355 5931639 CC(=O)NC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3O2 1 2.868 2 2 -1.38693610944546 5931431 C1=CC2=C(N/C(=C/3\C=CC(=CC3=O)N)/O2)N=C1 1 0.702 3 2 0 -3.24455960354763 5931303 C1=CC=C2C(=C1)NC3=C4C=CC=CC4=NC(N23)C5=CC=CS5 1 4.51 3 0 -6.57754887624801 5931293 C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)Cl)/O 1 3.322 2 5 0 -9.2928000885221 5931256 CC1=CC=C(C=C1)SCC(=O)NC2=NN=C(S2)/C=C/C3=CC=C(C=C3)OC 1 4.344 3 2 -7.0635748047882 5931186 CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCN(CC3)C)C4=CC=C(C=C4)Br 1 3.838 2 5 0 6.85167195670876 5931132 CC1=CC=CN2C1=NC(=C2/C(=C\3/C(N(C(=O)C3=O)CCN(C)C)C4=CC=CO4)/O)C 1 1.741 4 4 0 -14.2150811739292 5931120 COC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC=CS2)/N 1 2.324 2 3 -0.418517415172363 5931057 C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=C(C=C5)Cl)/O 1 2.63 3 5 0 -4.75458774262859 5931017 CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C)/C=C(\C#N)/C(=O)N 1 2.05 5 4 0 -13.0017944328652 5930979 CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)N4CCOCC4 1 0.32 5 4 0 -25.9384231119677 5930922 CCCCN1C2=CC=CC=C2N=C1/C=C/C3=CC=CO3 1 4.668 2 1 1.93188425707999 5930882 CC1(C2(CCC1(OC2=O)C(=O)NN/C=C/3\C=CC(=O)C=C3O)C)C 1 0.382 2 5 0 -8.22588739288218 5930717 C1C/[N+](=C\C2=CC=CC=C2Cl)/N=C1[O-] 1 1.698 2 1 0 0.462270997814445 5930716 C1=CC=C(C(=C1)NN/C=C/2\C=C(C=N2)C(=O)CCl)Cl 1 2.03 3 1 -1.70690802057933 5930714 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2)NN/C=C/3\C=CC(=O)C(=C3)OC 1 0.874 5 4 0 -4.40996804684512 5930684 COC1=CC=C(C=C1)N/C=C\2/C3=CC=CC=C3C(=O)S2 1 3.005 1 2 -2.92938729580476 5930620 CCN(CC)CCNC(=O)/C(=C\1/C=CC=CN1)/N=O 1 0.166 4 2 0 -10.0353835407709 5930611 C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NN/C=C/4\C=C(C=CC4=O)[N+](=O)[O-] 1 1.263 7 3 0 2.21500554168925 5930599 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)C(C)C)/C(=O)NCCCN3CCOCC3 1 3.564 3 3 -20.3141947479597 5930555 CC1=CC(=O)/C(=C/NNC2=CC=CC3=C2N=CC=C3)/C=C1 1 2.405 3 1 -2.55412136753341 5930554 CC1=C(C(=O)N=C(N1)/C=C/C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3 1 3.344 2 3 -7.85840798771236 5930517 CCN(CC)C1=CC(=O)/C(=C/NNC(=O)C2=CC3=C(C=C2)N=CN3)/C=C1 1 0.99 5 2 0 -7.88275964270445 5930483 COC1=CC=C(C=C1)/C=C/C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.86 3 3 -5.60216796982553 5930461 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NC(C)C2=CC=CC=C2 1 2.172 3 3 -14.5765717320461 5930436 COC1=CC=C(C=C1)/C=C/C(=O)NC(CCSC)C(=O)O 1 1.782 1 4 0 -16.8141481977463 5930433 CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)C5CCS(=O)(=O)C5)/C2=O 1 2.798 3 5 0 -18.353216594672 5930418 C1=CC(=CC=C1CC(C(=O)O)NC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O)Cl 1 3.046 1 6 0 -9.56841177122563 5930369 CCCN1C2=CC=CC=C2N=C1/C=C/C3=CC=CO3 1 4.212 2 1 4.87023808784954 5930348 C1CC2=C3C=C(C=CC3=NC2=C(C1)NCCCO)Cl 1 1.428 2 1 0 -2.13463913291888 5930247 C/C(=C/1\C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)/NN3CCN(CC3)C 1 0.254 5 3 0 -4.64321708335064 5930230 CC1=CC=C(C=C1)N2C(=O)/C(=C(\C)/NN3CCCCCC3)/C(=O)NC2=O 1 2.149 4 3 0 -6.33756641933679 5930200 C1=CC=C(C=C1)CCCC(=O)O/N=C(/C2=CC=CC=C2)\N 1 3.334 2 2 -1.82189162259376 5930173 CON/C=C(\C=NC1=CC=CC=C1)/C2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.41 3 1 6.65837095527839 5930130 C1=CC(=O)C=CC1=CNNC(=O)C2=C(N(N=N2)C3=NON=C3N)COC4=CC=C(C=C4)F 1 1.181 8 4 0 -20.029001091433 5929854 C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CN2 1 3.087 1 1 2.32607410260585 5929841 CC(C)CNC(=O)/C=C/C(=O)O 1 0.809 1 3 0 -7.36895510551196 5929816 CCN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)/C=C/C3=CC=CC=C3)/C1=O 1 1.846 4 3 0 -11.5653690776644 5929780 C1CC(OC1)CN2C(=O)/C(=C/C3=CC=C(C=C3)O)/SC2=S 1 3.164 1 3 -9.46880521437329 5929755 CC1=CC(=NN1/C(=C/N(C)C)/C(=O)C2=CC=CC=C2)C 1 2.083 3 1 -8.17060296117458 5929731 CCOC(=O)/C(=C\NC1=CC=C(C=C1)OC(F)(F)F)/SC2=C(C=C(C=N2)C(F)(F)F)Cl 1 6.781 2 3 4.09186806975263 5929664 C1=CC(=O)/C(=C/NNC(=O)CC2=NN=C(S2)N)/C=C1[N+](=O)[O-] 1 -1.083 6 4 0 -6.924399516324 5929627 CCN1C(=O)/C(=C\NCC2=CC=CC=C2)/SC1=S 1 2.466 2 1 -8.04364347525787 5929621 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)N/C=C(\C#N)/C4=NC(=CS4)C5=CC=C(C=C5)F 1 5.498 3 2 -11.3515192008552 5929556 C1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=CC=C2)/NC3=CC=CC4=CC=CC=C43 1 4.935 2 2 -11.3005668580287 5929553 CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCC3)C4=CC=C(C=C4)Cl 1 4.793 1 3 10.916876541221 5929543 CCCCCCC(=O)NN/C=C/1\C(=O)NC(=O)N(C1=O)CCC2=CC=CC=C2 1 2.051 4 4 0 -12.0667038287752 5929532 C1=CC=C(C=C1)CNC(=O)/C(=C\2/N(C(=O)C(S2)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4)/C#N 1 5.401 3 2 -8.17803745632728 5929477 CN(C)/C=C/C(=O)C1=CN=C(S1)C2=CC=CC=N2 1 1.674 3 1 0 1.12868883580006 5929450 C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])/O 1 2.489 3 7 0 -13.7107711882015 5929429 CCC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CN3CCOC4=CC=C(C=C4)C(C)CC)/C(=O)NC2=O 1 6.462 3 4 0 -3.00933632925458 5929380 CCOC(=O)/C(=C\NC1=CC=CC=C1C(F)(F)F)/SC2=C(C=C(C=N2)C(F)(F)F)Cl 1 5.603 2 2 0.800015022412724 5929378 CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=N2)/C=C/C3=CC=CC=C3 1 3.724 4 3 0 -14.2834715933357 5929356 C1=CC2=C(/C(=C/NNC(=O)C3=CC(=CC=C3)Br)/N=C2C=C1)Cl 1 2.303 3 1 -5.1478397856045 5929336 C1COCCN1C(=O)CC2=NN3C(=C(C(=O)N=C3S2)/C=C/4\C=NC5=CC=CC=C54)N 1 1.128 6 3 0 -16.3813073466489 5929318 C1=CC=C2C(=C1)NC3=NC(=C(C(N23)C4=CC=C(C=C4)Cl)C#N)N 1 2.809 5 0 -8.1895912093809 5929242 C1/C(=C/2\C=CC(=O)C(=C2)O)/NN3C(=NN=C3S1)C4=CC=CO4 1 1.218 4 3 0 -4.59069160800492 5929177 C\1CN(C(=O)/C1=C\NC2=CC=CC=C2)C3=NC=CC=N3 1 1.406 4 1 0 -2.31821750508136 5929170 CCOC1=CC2=CC(=C(N=C2C=C1)Cl)/C=C/C(=O)C3=CC=CO3 1 4.489 1 3 4.72123555497027 5929165 C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)/C=C(\C#N)/S(=O)(=O)C5=CC=CC=C5 1 3.252 5 3 0 -13.619948415576 5929130 CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NN/C=C/3\C=CC(=O)C(=C3)OC 1 0.884 4 4 0 1.31442476518373 5929102 CC1=C/C(=C(/C)\NCCC2=CC(=C(C=C2)OC)OC)/C(=O)C=C1C 1 3.523 1 3 -7.52390019695276 5929094 CN(C)/C=C/C(=O)C1=CN=C(S1)C2=CC=C(C=C2)Cl 1 3.061 2 1 6.08918159285139 5929023 C1CCN(CC1)C2=NC(=NC(=N2)NN/C=C/3\C=C(C=CC3=O)Br)N4CCOCC4 1 0.955 7 2 0 -2.74657042448758 5928900 CCOC1=C(C=CC(=C1)C2C3=C(NNC3=NC4=C2C(=O)CC(C4)(C)C)C)O 1 1.995 3 3 0 -17.4351087474897 5928732 C1=CC=C2C(=C1)N=C(O2)/C=C/C3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4F)F 1 4.944 2 2 -3.37122985085209 5928757 C1=CC=C2C(=C1)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)N2 1 2.625 2 3 -6.24791630449696 5928853 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)C2=CC=C(O2)[N+](=O)[O-] 1 3.01 2 6 0 1.55166672279242 5928770 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)/C(=C/[N+]#N)/[O-] 1 3.628 2 1 -0.750751693139267 5928724 C=CCOC(=O)/C(=C\C=C\C1=CC=CC=C1)/NC(=O)C2=CC=CC=C2 1 3.726 1 3 -12.3816558456091 5928657 CN(C1=CC=CC=C1)C(=O)C(=O)/C(=C(\C(=O)OC)/NC2=CC=CC=C2)/C(=O)C3=CC=CC=C3 1 3.955 2 5 0 -7.08431987001861 5928614 CN(C)/C=C/C(=O)C1=CC=C(C=C1)N2C=CC=C2 1 2.6 2 1 0.80724985895297 5928610 CC1=CC=C(C=C1)C2C=C(N=C3N2NC=N3)C4=CC=CC=C4 1 3.197 4 0 -0.775233025372832 5928549 C1=CC=C(C=C1)OC(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 3.69 2 3 2.46918061640371 5928454 COC(=O)CC1COC2=CC=CC=C2N1C(=O)/C=C/C3=CC=CC=C3 1 3.074 1 4 -8.63301239274497 5928404 COC1=CC=C(C=C1)/C=C/C2=NN=C(S2)NC(=O)OC 1 2.443 3 3 -5.74074112600838 5928396 C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Cl)C(=O)/C=C/C3=CC=CO3 1 2.862 1 4 -9.00178586795696 5928373 C=CCC1=CC=C/C(=C\NNC(=O)COC2=CC=C(C=C2)N3C=NN=N3)/C1=O 1 0.697 6 3 0 -21.2857225620389 5928288 C1CCN(C(C1)C2=CN=CC=C2)N/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=CC5=CC=CC=C54 1 2.063 5 3 0 0.919874785346529 5928270 CC/C(=C/1\C(=O)NC(=O)N(C1=O)C2CCCCC2)/NNC(=O)C3=CC=CC=C3O 1 1.972 4 5 0 -8.66878275032012 5928236 CC1=CC=C(O1)C2/C(=C(/C3=C(N(N=C3)C4=CC=CC=C4)C)\O)/C(=O)C(=O)N2CCCN(C)C 1 2.383 4 4 0 -6.95789682997442 5928116 CCC(CC)C1=NN2C(=N)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC=CO4)/C(=O)N=C2S1 1 5.3 4 4 0 -21.3799981705032 5928068 CC1=NN=C(S1)N2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC=C(C=C5)[N+](=O)[O-] 1 2.367 4 7 0 -14.2926181595346 5928009 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NC3CCS(=O)(=O)C3)N4CCC(CC4)C(=O)N 1 -0.588 6 5 0 -26.8015431670967 5927992 CCCCOC(=O)CCCN1C(=O)/C(=C\2/C(=O)N(C(=S)S2)CCCC(=O)OCCCC)/SC1=S 1 5.488 2 6 0 -14.4132345011567 5927989 C1=COC(=C1)C(=O)NCC(=O)NNC2=C3C=C(C=CC3=NC2=O)Br 1 2.3e-002 4 4 0 -12.5693533464166 5927890 COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)O 1 3.443 0 3 3.59580447479212 5927887 COC1=C(C=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5=CN=CC=C5)OC 1 2.562 2 7 0 -14.6987267859479 5927851 CC1C/C(=C\C2=C(C(=CC=C2)OC)OC)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O 1 5.297 1 4 -2.0869485429008 5927836 COC1=CC=C(C=C1)CC(=O)O/N=C(/C2=CC=C(C=C2)OC)\N 1 2.389 2 4 0.681497002687977 5927810 C1=CC=C(C=C1)C2C3=C/C(=C\NC4=CC=CC=C4)/C(=O)C=C3OC(=C2C#N)N 1 2.795 3 2 -8.7103743359944 5927648 C1C(N=C2NC3=CC=CC=C3N2C1=O)C(=O)NC4=CC=CC=C4 1 1.649 4 2 0 -6.75074541829422 5927614 COC(=O)C1=CC=CC=C1N/C(=C/2\C(=O)C3=C(CCCC3)NC2=O)/O 1 2.235 2 5 0 -16.8252651332615 5927548 CC1=CC=C(O1)C(=O)/C=C/C2=CC(=CC(=C2O)Br)Br 1 4.497 0 3 13.6672654881148 5927505 C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC(=CC=C5)Br)/O 1 2.714 3 5 0 -7.17489322250221 5927487 C1=CC=C2C(=C1)N=C(O2)/C(=C/C3=CC=NC=C3)/C#N 1 2.437 3 1 -2.31333140115159 5927418 CC1=CC=C(C=C1)C2=CC(N3C(=N2)N=CN3)C4=CC=CC=C4 1 2.551 4 0 -0.753070293317865 5927363 CC1=C(C=CC=C1[N+](=O)[O-])N/N=C/2\C(=NN(C2=O)C(=S)N)C 1 2.069 6 3 0 -2.08068662940818 5927359 CC(C)(C)C1=CC=C(C=C1)OCC(=O)O/N=C(/C2=CC=NC=C2)\N 1 2.472 3 3 4.64245582522803 5927331 CC(=C1C(=O)NC(=O)NC1=O)NN2CCN(CC2)C 1 -1.536 5 3 0 -7.64285730559954 5927294 C1CC2=CC=CC3=C(C=CC1=C23)N/C=C/4\C=C(C=CC4=O)Br 1 4.061 1 1 -0.968356622433166 5927289 CN(C)/C=C/C(=O)OC1=C(C=C(C=C1)Cl)Cl 1 3.081 1 2 -1.40417216183018 5927222 C1=CC(=CC(=C1)Br)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)NCCCN3C=CN=C3 1 1.396 5 2 0 -17.2870131996267 5927217 CCOC(=O)CSC1=NC(=O)/C(=C\C2=CC=C(C=C2)OC(=O)C)/S1 1 3.231 1 5 -11.0862270685792 5927147 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)NNC=C3C=CC(=O)C=C3)C 1 1.673 5 3 0 -3.5939165462221 5926960 C1=CC=C(C=C1)CN/C=C(\C2C3=CC=CC=C3C(=O)O2)/[N+](=O)[O-] 1 2.331 2 4 -3.95051905964184 5927014 CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NNC=C3C=CC(=O)C=C3)C4=CC=CC=C4 1 1.154 9 3 0 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C1=CC=C(C=C1)CC(=O)NCC(=O)NNC2=C3C=CC=CC3=NC2=O 1 0.21 4 3 0 -14.883843887196 5926274 C1CS(=O)(=O)CC1N(CC2=CC=CC=C2)C(=O)/C=C/C3=CC=CO3 1 2.198 1 4 -12.3350053414481 5926215 COC1=CC(=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)Cl)O)OC 1 4.091 0 4 6.98539420402792 5926160 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)Cl)/C#N 1 3.883 4 3 0 -17.101953471529 5926028 CC(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)\O)/C(=O)C(=O)N2CCCOC 1 2.306 2 7 0 -23.4847688164274 5925920 COC1=CC=C/C(=C\NNC(=O)C(=O)NCC2=CC=CO2)/C1=O 1 -0.851 3 5 0 -11.5799574283072 5925908 CCC1=NN2C(=N)/C(=C\C3=CC=C(C=C3)OCCOC4=CC=CC=C4OC)/C(=O)N=C2S1 1 4.697 4 4 0 -20.4991908176258 5925896 CC1=CC=C(C=C1)N/C=C\2/C3=CC=CC=C3C(=O)S2 1 3.508 1 1 -2.51642108666062 5925852 CC1=NN=C(S1)N2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC=C(C=C5)C(=O)OC 1 2.328 3 7 0 -15.2959739019061 5925761 C1=CC=C(C(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4O)F 1 4.707 2 2 -3.11457606788873 5925639 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2.67861099683815 5921143 CCCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4CCNC(=O)C4CC(=O)OC)/SC1=S 1 1.974 5 5 0 -37.6673745834665 5921108 CC1=CC(=O)/C(=C/NNC2=CC=C(C=C2)Cl)/C(=O)O1 1 1.87 2 3 0 0.982597597133845 5920999 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)C(C3=CC=CC=C3)C(=O)O)O 1 4.338 1 5 -8.11256278895532 5920989 CC1=C(C(=NN1CC(=O)NNC(=C2C=CC(=O)C=C2)C)C)[N+](=O)[O-] 1 0.344 5 4 0 -9.40683508740794 5920968 C1=CC=C(C=C1)/C=C/C(=O)C2=COC=C2 1 2.805 0 2 -2.94486483528888 5920946 CCOC1=CC=C(C=C1)C(C2=CC(=C(C=C2)OC)OC)NC(=O)/C=C/C3=CC=CO3 1 4.396 1 5 -12.1731607070372 5920838 CC1=CC=C(S1)/C=C/2\C(=O)NC(=O)N(C2=O)CC3CCCO3 1 1.528 2 4 0 -7.55677602578161 5920835 C1=CC(=CN=C1)/C=C/C(=O)C2=CC=C(C=C2)O 1 2.309 1 2 2.78404472606679 5920659 CC1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)NCC4=CC=CO4 1 2.432 5 3 0 -24.0747530648506 5920616 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)Cl 1 5.321 1 1 4.49317318763614 5920595 CC1=CC(=CC(=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)OC)C 1 3.097 3 4 0 -14.2141490355445 5920524 CC1=C(C=C(C(=C1)O)C(C)C)N/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 3.279 2 4 -2.62070019646273 5920499 C1=CC=C2C(=C1)/C(=C/NN3C(=NNC3=S)C4=CC=C(C=C4)F)/C=N2 1 2.953 5 0 -0.984022510541945 5920350 CC1=C2C(SCC(=O)N=C2N(N1)C3=CC=CC=C3)C4=CC=C(C=C4)OC 1 2.848 3 2 -9.35875942700168 5920258 CC1CN(CC(O1)C)C2=NC(=O)/C(=C/C3=C(C=CS3)C)/S2 1 3.291 2 2 -9.97365224362219 5920173 C1=CSC(=C1)C(=O)NCC(=O)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-] 1 -0.129 5 5 0 -14.5228957316397 5920157 C1=CC=C(C=C1)/C=C/C(=O)OCC2=CN=C(S2)Cl 1 3.146 1 2 -1.29672570757787 5920062 C1C2CC3CC1CC(C2)(C3)NC(=O)NNC=C4C=CC(=O)C=C4 1 1.481 3 2 0 -4.43084811806667 5920058 COC1=CC=C/C(=C\NN2C(=NN=N2)N)/C1=O 1 -1.408 6 2 0 -7.07998308655858 5919925 C1=CC=C(C=C1)C2=NC=C(S2)C(=O)/C=C/NC3=CC=CC=C3 1 3.715 2 1 3.36034815066703 5919900 C1=CC=C(C=C1)/C=C\2/C(=C(C(=O)O2)C#N)C3=CC=CC=C3 1 3.389 1 2 -0.708889250982571 5919853 C=CCN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)C3=CC=CO3)/C1=O 1 1.042 4 4 0 -16.5403680399999 5919819 CC(C(=O)OC)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CO3)/O2 1 2.706 0 6 -11.2076920231395 5919818 CN(C)CCNC(=O)/C(=C\1/C=CC=CN1)/N=O 1 -0.532 4 2 0 -7.546191326976 5919806 CN(C)N1C(=O)/C(=C/C2=CC(=CC=C2)Cl)/N=C1SC 1 2.787 3 1 -4.46197061549932 5919709 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)/C=C/C(=O)O 1 1.071 2 6 0 -9.42706734468877 5919679 C1=CC(=C(C(=C1)Cl)/C=C/C(=O)C2=CC=C(C=C2)F)F 1 4.777 0 1 0.987135854776274 5919649 C1CC(OC1)CN2C(=O)/C(=C/C3=CC(=CC=C3)O)/SC2=S 1 3.164 1 3 -9.44482111461017 5919647 COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SC/C=C/C3=CC=CC=C3 1 3.712 4 3 0 -6.28290504753949 5919621 CN1CCN(CC1)C2=N/C(=C/3\C=CC=C(C3=O)OC)/NC4=CC=CC=C42 1 1.847 4 2 0 -2.77343886656024 5919570 CC1=CC=C(C=C1)OCC(=O)O/N=C(/CC2=CC=C(C=C2)Cl)\N 1 3.407 2 3 4.61877397070246 5919547 CN(C)/C=C\1/C(=O)N(C(=S)N1)C2=CC=C(C=C2)Cl 1 2.299 3 1 -1.85201114618596 5919379 CSC1=NC(=O)/C(=N\NC2=C(C=C(C=C2)F)F)/C(=O)N1 1 2.53 4 2 -7.51551077581925 5919280 CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)O)C 1 2.052 3 5 0 -8.76708761073919 5919275 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 0.773 4 5 0 -15.2787269009242 5919269 CC1=CC=CN2C1=NC(=NCC3=CC=CC=C3)/C(=C/NOC(=O)C)/C2=O 1 0.972 4 3 0 -11.5801198005234 5919247 CC1CCC/C(=C\NC2=C(C=C(C=C2)C(=O)O)C)/C1=O 1 3.145 1 3 -6.14284288858681 5919160 CC1=CC(N2C(=N1)N=CN2)C3=CC=C(C=C3)OC 1 0.814 4 1 0 -3.07955731680456 5919127 C1CC(OC1)CNC(=O)C(=O)NN/C=C/2\C=C(C=CC2=O)Cl 1 -0.576 3 4 0 -14.3819044685747 5919088 CC(C(=O)O)NS(=O)(=O)/C=C/C1=CC=CC=C1 1 0.648 1 4 0 -3.88032889406996 5919084 C1COCCN1CCCN2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC=C(C=C5)F 1 2.256 2 6 0 -11.2882537702847 5919042 C1=CC(=CN=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)O)F 1 1.734 3 2 0 -10.1946530205906 5919027 C1C/[N+](=C\C2=CC=CC=C2)/N=C1[O-] 1 1.034 2 1 0 -0.867419505225282 5918983 COC1=CC=C(C=C1)/C=C/C2=NC(=O)C=C(N2)C3=CC=CC=C3 1 3.117 2 2 -3.33880395025828 5918950 C1C(N2C(=O)C3=CC=CC=C3NC2=N1)CSC4=CC=C(C=C4)Cl 1 3.733 3 1 -7.98280869746082 5918947 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NCCCOC)N3CCN(CC3)C4=CC=C(C=C4)OC 1 1.975 6 4 0 -23.0375347962875 5918924 C1=CC(=CN=C1)C(=O)NCC(=O)NNC2=C3C=C(C=C(C3=NC2=O)Br)Br 1 -7.e-002 5 3 0 -15.3203576142198 5918921 COC1=CC=C(C=C1)C2=C(C3=C(S2=O)C=C(C=C3)OC)SC4=CC=C(C=C4)F 1 4.692 0 3 4.84961218739433 5918909 COC1=CC(=C/C(=C\NNC(=O)CSC2=CC=CC=N2)/C1=O)[N+](=O)[O-] 1 0.219 4 5 0 -8.42394290361613 5918875 CC1=CC(=CC=C1)NC2=NC(=O)/C(=C/C=C/C3=CC=CO3)/S2 1 4.128 2 2 2.61512007954588 5918816 CCN(CC)CCNNC(=C1C(=O)NC(=O)NC1=O)C 1 -0.863 5 3 0 -10.8814542684194 5918787 CN(C)C1=CC=C(C=C1)/C=C/C2=CC=CC=[N+]2[O-] 1 2.412 2 1 -1.01188923804694 5918786 COC1=CC(=C(C=C1)OC)C2=C3C(=CC(=N2)C(=O)NCC4CCCO4)C5=CC=CC=C5N3 1 4.082 3 4 0 -8.00302916064587 5918716 CCN1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)NC 1 0.737 6 2 0 -20.1064680507626 5918682 C1CN(CCN1C2=NC(=CC=C2)Cl)C(=O)/C=C/C3=CC=CC=C3 1 2.983 3 1 -1.43524807736261 5918585 C1=CC=C2C(=C1)C=CC=C2C3=NNC(=C3)C(=O)NNC4=C5C=C(C=CC5=NC4=O)Br 1 3.159 5 2 0 0.543898877859733 5918537 CC1=C(NC(=C1C(=O)OC)C)C(=O)/C=C/C2=CC=CC=C2F 1 3.779 1 3 -4.3851526163872 5918495 C1C/[N+](=C\C2=CC(=C(C=C2)Cl)Cl)/N=C1[O-] 1 2.363 2 1 0.21261144583114 5918343 CC1=NC(=CS1)C\2=CN=CN/C2=C\3/C=CC(=C(C3=O)OC)OC 1 -6.6e-002 3 3 0 -5.06254890283038 5918272 COC1=CC=C(C=C1)C2C(=C(N=C3N2C4=CC=CC=C4N3)N)C#N 1 2.128 5 1 -10.4245561091119 5918153 C1=CC(=C(C=C1OC(F)(F)F)Br)NC(=O)/C=C/C(=O)O 1 4.062 1 4 -3.1597015652651 5918148 CON/C=C(\C=NC1=CC=C(C=C1)C(F)(F)F)/C2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.353 3 1 8.30325262203074 5918115 C1=CC(=CC(=C1)Cl)/C=C/C(=O)C2=CC=C(O2)[N+](=O)[O-] 1 3.78 1 4 6.1650895508952 5918095 C1=CC=C(C=C1)/C=C(\CCO)/C(=O)NN/C=C/2\C=CC=CC2=O 1 1.151 2 3 0 -5.30976882393034 5917909 CC1=CC(=O)OC2=CC(=O)/C(=N/NC3=CC=CC=C3)/C=C12 1 2.728 2 3 -1.99386821587907 5917868 CN1C2=N/C(=N\NNC3=CC=C(C=C3)OC)/N=C2C(=O)N(C1=O)C 1 0.622 7 3 0 -5.86532728697522 5917853 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)O/N=C(/C2=CC=C(C=C2)OC)\N 1 1.825 3 5 0 -2.31119712262832 5917826 C=CCN1C2=CC=CC=C2/C(=N/NC(=O)C(C3=CC=CC=C3)O)/C1=O 1 1.969 3 3 0 -13.3581541608165 5917798 C1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NC4CCS(=O)(=O)C4 1 0.409 5 4 0 -27.7646439105331 5917797 CCOC1=CC=C(C=C1)NC(=O)C2C3C2CC/C=C\CC3 1 3.552 1 2 -2.26661964227806 5917733 CCC(=C1C(=O)NC(=O)NC1=O)NNC2=CC=CC=C2 1 0.916 4 3 0 -7.92119259271181 5917644 C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)Cl)C(=O)/C=C/C3=CC=CC=C3Cl 1 4.131 1 3 -8.00547051534164 5917624 C1C2CC3CC1CC(C2)(C3)NC(=O)NN/C=C/4\C=C(C=CC4=O)[N+](=O)[O-] 1 1.223 4 4 0 -6.82988314038013 5917611 CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4N3)C5=CC=CC=C5 1 4.867 6 2 0 3.23225951213587 5917598 COC1=CC2=C(C=C1)NC=C2/C=C/C(=O)C3=CC=CC=C3 1 3.979 1 2 5.92280380167783 5917526 C1=CC(=O)C=CC1=CNNC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl 1 3.859 4 1 8.13986224123193 5917519 C1C(C1(Cl)Cl)C/C(=N/OC(=O)C2=CC=CC=C2)/N 1 1.766 2 2 0 0.16901797344366 5917512 CC1=CC(=CC(=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NC4CCS(=O)(=O)C4)C 1 1.958 4 5 0 -25.2881263484802 5917493 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NC3CCS(=O)(=O)C3)OC4=CC(=CC(=C4)C)C 1 2.404 4 5 0 -25.9958329616803 5917377 CC1=C2C=C(C(=CC2=C/C(=C/3\C=CC(=O)C=C3O)/N1)OC)OC 1 0.527 1 4 0 -3.49805541865635 5917350 COC1=CC=CC=C1NC(=O)/C(=C/C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)/C#N 1 3.422 4 4 0 -14.3695079347862 5917252 CC1=CC(=O)/C(=C/2\CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)Cl)/C(=O)O1 1 4.397 1 3 -6.72707376502607 5917207 CNCCCNC(=O)C1=CN/C(=C\N=O)/C=C1 1 -1.275 4 2 0 -8.10579958821499 5917197 CCN(CC)CCN1C(/C(=C(/C2=C(NC(=C2C)C(=O)OC)C)\O)/C(=O)C1=O)C3=CC=CS3 1 2.931 3 5 0 -14.7846943031862 5917126 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/C2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 3.721 2 4 -20.6870620263498 5916970 C1=CC=C2C=C(C=CC2=C1)/C=C/C(=O)C3=COC=C3 1 3.714 0 2 -0.841824481707263 5916900 COC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5=CN=CC=C5 1 2.578 2 6 0 -9.10522889099124 5916944 C1COCCN1C(=O)/C(=C\2/N(C(=O)C(S2)CC3=CC=CC=C3Cl)C4=CC=CC=C4)/C#N 1 3.711 3 3 -11.6045903165379 5916929 C1=C/C(=C\NNC(=O)CCC(=O)NC2=CC=C(C=C2)F)/C(=O)C=C1 1 0.548 3 3 0 -8.64211519081106 5916927 C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 2.508 1 3 -16.1329720887962 5916865 C1CS(=O)(=O)CC1NC(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)OC4=CC=CC=C4Cl)/C#N 1 1.65 4 5 0 -24.9745695067648 5916847 CC1=C/C(=C(/C)\NNC2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)/C=CC1=O 1 4.422 4 1 3.77732539381275 5916800 COC1=CC=C(C=C1)/C=C/C(=O)CC(C2=CC=CC=C2)(C(F)(F)F)O 1 4.063 0 3 -1.32840522688173 5916737 C1=CC=C2C(=C1)N=C(O2)/C=C/C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F 1 5.475 2 2 1.38542869893604 5916667 C1=CC=C(C=C1)C\2=NNC(=O)/C2=C\NC3=CC=C(C=C3)Cl 1 2.931 3 1 -5.69579892856323 5916626 COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(O2)[N+](=O)[O-])O 1 2.857 1 6 0 4.80374726073474 5916536 CCOC1=CC2=C(C=C1/C=C/C(=O)O)OC(C2)C 1 2.695 0 4 -2.405177566692 5916518 CN(C)C1=CC=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCCC4 1 2.648 6 2 0 -23.4932255453421 5916372 CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)O 1 0.65 1 4 0 -0.85685805242799 5916371 C1=CC(=CC(=C1)[N+](=O)[O-])/C(=C\2/C(N(C(=O)C2=O)CC3=CC=CO3)C4=CC=CS4)/O 1 2.882 2 6 0 -10.9261931938815 5916335 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N/N=C\2/C(=NN(C2=O)C(=S)N)C 1 1.503 6 3 0 -11.8249692380548 5916278 CC1CCCCN1C(=S)SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N 1 4.63 4 1 -13.1498172635556 5916262 CC1=C(SC(=N1)N2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC=C(C=C5)OC)C(=O)C 1 3.033 2 7 0 -12.7742725201676 5916190 CSC1=NC(=O)/C(=C\C2=CC=CC3=CC=CC=C32)/S1 1 4.316 1 1 2.38084871574819 5916178 CC1=CC=C(C=C1)C(=O)/C=C/NC2=C(C=C(C=C2)[N+](=O)[O-])Br 1 4.172 2 3 -0.541385812901856 5916086 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN/C=C/3\C=CC(=O)C(=C3)OC 1 -1.384 6 5 0 -18.142596406267 5916021 C1COCCN1CCCNC(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S 1 2.908 3 3 -18.0540890682027 5915952 C1CCN(C1)C(=O)CC2=NN3C(=N)/C(=C/C4=CC=CO4)/C(=O)N=C3S2 1 1.881 5 3 0 -19.0182815080121 5915936 C1=COC(=C1)CN2C(=O)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)F)/C(=O)NC2=O 1 3.246 2 5 0 0.122820546799894 5915934 C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl 1 4.564 3 3 -7.72122352408332e-002 5915849 COC1=C/C(=C/NNC(=O)CCN2CCCCC2)/C=CC1=O 1 0.201 3 3 0 -2.71096651755338 5915839 C/C(=C\1/C=CC=CC1=O)/NNC2=CC=CC3=C2N=CC=C3 1 2.472 3 1 -4.01076426272118 5915787 C1=CC=C(C=C1)CC(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 3.17 2 2 1.40026324612041 5915730 C1=CC(=O)/C(=C/NN2C=NN=C2)/C=C1[N+](=O)[O-] 1 -0.89 5 3 0 -4.14515354239345 5915699 C1=CC(=CN=C1)CN/C=C/C(=O)C(C(F)(F)F)(F)F 1 1.527 2 1 0 -4.99026727166468 5915668 C1=CC=C(C(=C1)N/C=C\2/C(=NNC2=O)C(F)(F)F)Cl 1 2.346 3 1 -7.29617330301416 5915661 C1=CC=C(C=C1)/C=C/C2=CC=CC=[N+]2[O-] 1 2.25 1 1 1.30904032646896 5915649 C1CS(=O)(=O)CC1N2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC=CC=C5)/SC2=S 1 2.312 3 5 0 -18.6782837300578 5915636 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)C)/NCC3=CC=CO3 1 2.422 3 4 0 -9.52922746012106 5915567 CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/NC3=CC=CC(=C3)C(=O)O 1 3.496 2 4 -10.8586469213205 5915551 C1=CC(=CN=C1)C(=O)/C=C/C2=CC=CO2 1 1.946 1 2 0 -1.42884323318051 5915447 COC1=C(C=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5=CC=CC=C5)O 1 3.487 1 7 0 -8.02814439516152 5915437 COC1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)Br)C5=CC=CC=C5 1 6.384 3 2 -1.41432888809473 5915385 CC1=CC=CN2C1=NC(=NC3=CC(=CC=C3)Cl)/C(=C/NOC(=O)C)/C2=O 1 1.63 4 3 0 -4.75193156467115 5915365 CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C)Cl)OCC2=CC=C(C=C2)Br 1 4.064 1 5 -11.663868240579 5915318 CC1=C(N2C=CC=CC2=N1)C(=O)/C=C/C3=CC=C(C=C3)F 1 3.359 2 1 -0.738259477972128 5915311 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NN2CCCCC2C3=CN=CC=C3 1 3.384 4 2 -2.67435872947598 5915306 CC1CCCN(C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4OC)O 1 3.918 1 4 2.89404673168344 5915263 CN1C(=O)C(=C(COC2=CC(=CC=C2)Cl)N)C(=O)N(C1=O)C 1 0.792 3 4 0 -6.58249746901629 5915245 CC(=C1C(=O)NC(=O)NC1=O)NN2CCCCC2 1 -0.576 4 3 0 -9.93459952715541 5915239 C1=CC=C(C(=C1)/C=C/C(=O)C2=COC=C2)F 1 3.011 0 2 -2.41656588769919 5915234 CC(C1=CC=CC=C1)NC(=C2C(=O)NC(=O)NC2=O)C 1 0.825 3 3 0 -11.6035608302484 5915184 CSC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)SC 1 3.95 1 1 1.45467363642857 5915172 C/C(=C(\C(=O)NC1=CC=CC=C1)/N=O)/NNC(=O)C2=CC=CC=C2 1 1.795 4 3 0 -7.3238356386196 5915139 CC1=CC(=O)C(=C(O1)O)C(=O)/C=C(\C)/N(C)C 1 1.114 1 4 0 -2.87623729312891 5915113 C1=CC2=C(C=C1Cl)N/C(=C/N=O)/O2 1 2.435 2 2 0.338391164880998 5915063 C1COCCN1C2=C(C=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)[N+](=O)[O-] 1 3.321 5 3 0 -3.38900489649426 5915061 CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C)C 1 4.084 5 1 -13.7995141105878 5915040 CCCCN1C(=O)/C(=C(\CC)/NCC2=CN=CC=C2)/C(=O)NC1=O 1 1.356 4 3 0 -11.8216889216057 5915019 C1CCCC(CC1)N2C(=O)/C(=C/NCC3=CN=CC=C3)/C(=O)NC2=O 1 1.304 4 3 0 -11.445403429394 5914949 CN(C)CCCNC(=O)/C=C/C1=CC=C(C=C1)OCC2=C(C=CC=C2Cl)F 1 4.143 2 2 -8.63317562522874 5914907 COC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N2CC4=CC(=C(C=C4)OC)OC 1 5.478 2 3 -0.540361909449678 5914808 CCOC(=O)NC(=O)/C(=C/NC1=C(C=CS1)C(=O)OC)/C(=O)C 1 0.955 2 6 0 -9.27408250756427 5914779 CC1(COCN1C(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N)C 1 1.787 2 3 0 -8.94253533185564 5914770 CCN1C2=CC=CC=C2N=C1SCC(=O)NNC3=C4C=CC=CC4=NC3=O 1 2.121 5 2 0 -13.3050196734142 5914762 C1=CC=C(C(=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)Cl)SC(F)(F)F 1 7.148 3 0 -4.93253722973924 5914696 COC(=O)NC1=NN=C(S1)/C=C/C2=CC=CC=C2 1 2.46 3 2 -5.66849158285803 5914673 COC1=CC=C/C(=C\NN2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35)/C1=O 1 2.416 3 2 -2.18781588248429 5914665 CC(=O)N/C(=C/C1=CN=CC=C1)/C(=O)NC2=CC=C(C=C2)Cl 1 1.42 3 2 0 -10.6706580826481 5914617 C1CCN(C(C1)C2=CN=CC=C2)C(=S)NC(=O)/C=C/C3=CC=C(C=C3)F 1 4.499 3 1 -2.7300194082887 5914602 COC1=CC=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCCO3 1 3.471 0 4 -1.39614441182821 5914494 COC1=CC=C(C=C1)C2=C(C3=C(S2=O)C=C(C=C3)OC)SC4=CC=C(C=C4)Br 1 5.235 0 3 4.50307410741446 5914490 C1COCCN1C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3 1 2.947 4 2 1.38430962439781 5914476 CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)OC 1 3.042 0 6 -0.778165227379952 5914472 CCOC1=CC=CC=C1/C=C(\C(=O)NCC(=O)O)/NC(=O)C2=CC=CC=C2 1 1.808 2 5 0 -20.8887166825711 5914424 CN1C2=N/C(=N/NC3=C(C=C(C=C3)N)N)/N=C2C(=O)N(C1=O)C 1 -0.363 8 2 0 -6.61980581393014 5914409 CCOC1=CC(=O)/C(=C\2/C(=CN=C(N2)N)C3=CC=C(C=C3)OC)/C=C1 1 1.302 3 3 0 -3.89965740591311 5914370 COC1=CC(=CC(=C1OC)OC)C(=O)O/N=C(/CC2=CC=C(C=C2)[N+](=O)[O-])\N 1 2.267 3 7 0 -3.02275808155705 5914340 CC(=O)N/C(=C\C1=CC2=C(C=C1)OCO2)/C(=O)NC(C3=CC=CC=C3)C(=O)O 1 1.299 2 6 0 -19.4991734849926 5914283 CCO/C(=C/1\N(/C(=C(\OCC)/O)/C(=O)C1=O)C2=CC=CC=C2)/O 1 2.385 1 6 0 -2.04863464255745 5914213 C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CC=NC=C4)C5=CC(=CC=C5)O)/O 1 2.352 2 6 0 -8.00590989929673 5914201 CCCN1C(C(SC1=S)(C)C)/[N+](=C/C2=CN=CC=C2)/[O-] 1 3.266 3 1 -3.79959622551485 5914192 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=CO3)C4=CC=CC=C4O 1 3.897 2 3 -2.67990018668532 5913976 CC(=O)NC1=CC=CC(=C1)C(=O)/C=C/C2=CC=CN2 1 2.207 2 2 -1.85111921763514 5913973 CC1=NN=C(C1=NNC2=CC=CC=C2OC)C 1 1.807 4 1 0 -3.84994915600759 5913868 CCC1=NN2C(=N)/C(=C/C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C)OC)/C(=O)N=C2S1 1 4.702 4 5 0 -27.0317256090122 5913801 COC1=CC=C(C=C1)N2C=CC=C2/C=C/3\C(=O)N(C(=O)N3)C4=CC(=CC=C4)Cl 1 4.334 3 3 3.50780707567719 5913783 C1=CC=C(C=C1)/C=C/C2=NN=C(O2)SCC3=CC=C(C=C3)Cl 1 4.928 2 1 -3.88703132954221 5913771 CCCCN1C(C(SC1=S)(C)C)/[N+](=C/C2=CN=CC=C2)/[O-] 1 3.723 3 1 -4.71324206271574 5913667 CC1=CC=CC=C1/C=C/C2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4 1 5.237 2 1 -2.44846110060899 5913666 C1OC2=C(O1)C=C(C=C2)N/C=C/3\C=C(C=C(C3=O)[N+](=O)[O-])Br 1 2.062 2 5 0 -6.28908043622456 5913663 C1=CC=C(C=C1)/C=C/C=C(\C(=O)NC2=CC=C(C=C2)O)/NC(=O)C3=CC=CC=C3 1 3.797 2 3 -8.58858035001315 5913639 C1C(N=C2NC3=CC=CC=C3N2C1C4=CC=CC=C4)C5=CC=CC=C5 1 4.264 3 0 -2.30978345052631 5913531 COC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCCN5C=CN=C5 1 1.949 3 6 0 -6.39139274088086 5913401 CC(C1=CC=CC=C1)N/C(=C\2/C(=O)NC(=O)N(C2=O)CC=C)/C 1 1.648 3 3 0 -13.9852133822811 5913370 COCCNC1=C(N=C(O1)/C=C/C2=CC=CC=C2)C#N 1 2.229 3 2 -6.30833563029495 5913363 C/C(=C\1/C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)/NCCCN5C=CN=C5 1 3.138 6 1 0 -3.18142594967849 5913361 C1=CC=C2C(=C1)C(=O)C(=CO2)/C=C\3/C(=O)NC(=S)S3 1 2.359 1 3 3.72894021993761 5913317 CC1(C(N(C(=S)S1)N/C=C/2\C=CC=CC2=O)N(C(=O)NC3=CC=CC=C3)O)C 1 3.15 4 3 0 -6.65023675065574 5913308 COC1=CC=C/C(=C\NNC(=O)CNC(=O)C2=CC=CS2)/C1=O 1 -0.293 3 4 0 -12.8697462047554 5913176 C1=CC=C2C(=C1)N/C(=C(/C=C3C=CC(=O)C=C3)\C#N)/O2 1 2.817 2 2 -4.34995035872562 5913171 CN1C2=CC=CC=C2C3=C1N=C(N=N3)NNC=C4C=CC(=O)C=C4 1 1.736 6 1 0 -3.90694943330318 5913111 C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C(\C#N)/C3=NC(=CS3)C4=CC=CO4 1 5.377 2 1 -6.05039056455148 5913053 C1=CC=C(C(=C1)CN/C=C\2/C(=NNC2=O)C(F)(F)F)Cl 1 2.075 3 1 -9.84958277290528 5913037 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/C2=CC=C(C=C2)Cl)/NC(=O)C3=CC=CC=C3 1 4.18 2 4 -19.5769403612282 5913001 CC1CN(CC(O1)C)C(=O)/C=C/C2=CC=C(C=C2)SC(F)F 1 3.518 1 2 -9.17644100557976 5912967 COC1=CC=C(C=C1)/C(=C\2/C(=CC(=CN2)C(F)(F)F)Cl)/N=O 1 2.894 2 2 -0.14049942003869 5912938 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)NN/C=C/3\C=CC(=O)C(=C3)OC)C 1 1.36 5 4 0 -3.70225500194277 5912818 CCCCN1C(=O)/C(=C(\C)/NNC(=O)NC2=CC=CC=C2)/C(=O)NC1=O 1 1.069 5 4 0 -9.11418349541358 5912804 C/C(=C\1/C=CC=CC1=O)/NNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4F 1 3.571 4 1 1.30752836303734 5912619 CCOC(=O)C1=CC=C(C=C1)NC(=C2C(=O)N(C(=O)N(C2=O)C)C)C 1 1.335 3 5 0 -13.0154339350438 5912616 CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCOCC3)C4=CC(=C(C=C4)OC)OC 1 2.866 1 6 0 3.25935723125498 5912571 CCCCCOC(=O)CCN1C(=O)/C(=C\2/C(=O)N(C(=S)S2)CCC(=O)OCCCCC)/SC1=S 1 5.758 2 6 0 -12.5600620226875 5912559 CCC(=O)NC1=NN=C(S1)/C=C/C2=CC=C(C=C2)OC 1 2.467 3 2 -6.0509132426393 5912550 CC1(CCCN(C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)N)O)C 1 4.479 3 3 15.2482864648419 5912542 C1OC2=C(O1)C=C(C=C2)CN3C4=CC=CC=C4/C(=N/NC(=O)CNC(=O)CC5=CC=CC=C5)/C3=O 1 2.416 4 5 0 -11.9347276747516 5912519 C1CCC(=CC1)CCN2C(=O)/C(=C/NC3CCN(CC3)CC4=CC=CC=C4)/C(=O)NC2=S 1 3.478 4 2 -0.627867643976366 5912510 CC1=C(NC(=C1C(=O)OC)C)C(=O)/C=C/C2=CC(=CC=C2)Cl 1 4.238 1 3 -1.74471337697183 5912397 COC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N2CC4=CC=CC=C4OC 1 5.495 2 2 2.28681884205183 5912359 CC(C(=O)/C=C/N(C)C)OC1=CC=CC=C1Cl 1 2.698 1 2 -3.41691679419959 5912350 CC1=C(C(=CC=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)OC)C 1 3.097 3 4 0 -11.5813012465805 5912187 COC1=C/C(=C\NNC(=O)CN2CCS(=O)(=O)CC2)/C(=O)C=C1 1 -1.547 3 5 0 -9.27595462764074 5912184 CC1=CC=C(C=C1)/C=C/C2=NC(=O)C3=CC=CC=C3N2 1 3.447 2 1 -2.8715837462966 5912031 C1CC(=C2C(=C(C3=CC=CC=C3N2)C(=O)O)C1)C=C4C=CC(=O)C=C4 1 3.52 1 3 -8.05978258639555 5912012 C1=CSC(=N1)N/C=C/C(=O)C(F)(F)Cl 1 1.178 2 1 0 -2.88330425569838 5912008 C1=C/C(=C/2\C=C(NN2)C(C(F)F)(F)F)/C(=O)C=C1 1 0.769 2 1 0 -4.2492974258441 5911990 CCC(=C1C(=O)NC(=O)NC1=O)NN2CCN(CC2)C 1 -1.012 5 3 0 -8.23421565536448 5911987 C1=CC(=CC=C1N/C=C/C(=O)C(F)(F)F)OC(F)(F)F 1 4.577 1 2 -0.36712839917847 5911881 CC1=C(C(=O)NN1)CC(=O)NN/C(=C/2\C=CC(=O)C(=C2)OC)/C 1 -1.397 4 4 0 -9.92876828728983 5911879 COC1=CC=CC=C1CNC(=O)N/C=C/C2=CC=C(C=C2)Cl 1 3.119 2 2 -2.47440252667044 5911878 C1=CC(=CC=C1CNC(=O)N/C=C/C2=CC=C(C=C2)Cl)Cl 1 3.8 2 1 -0.773497428677943 5911851 CC1=CC=C(C=C1)NC(=O)N/C=C/C2=CC=C(C=C2)Cl 1 3.615 2 1 2.70990549509474 5911850 COC1=CC=C(C=C1)NC(=O)N/C=C/C2=CC=C(C=C2)Cl 1 3.113 2 2 2.2969392859506 5911718 CCCCC1=NN2C(=C(C(=O)N=C2S1)/C=C/3\C=NC4=CC=CC=C43)N 1 3.425 5 1 -9.44881286958075 5911708 COC1=CC(=O)/C(=C\2/C(=CN=C(N2)N)C3=CC=C(C=C3)Cl)/C=C1 1 1.634 3 2 0 -1.11912335174824 5911638 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NN/C=C/3\C=C(C=CC3=O)OC 1 1.037 5 3 0 -13.5694620313282 5911553 COC1=CC2=CC(=C(N=C2C=C1OC)Cl)/C=C/C(=O)C3=CC=CO3 1 4.124 1 4 2.070702855062 5911548 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3 1 3.613 4 2 -7.15491565922007 5911545 C1C2CC(C1C=C2)NC(=S)NN/C=C/3\C=CC=CC3=O 1 1.712 3 1 0 -3.40430508816482 5911474 CC1=CC=CN2C1=NC(=C2/C=C(\C#N)/C3=CC(=CC=C3)OC)C4=CC=C(C=C4)Cl 1 5.905 3 1 -3.52526843837946 5911453 COC1=CC2=C(C=C1)C(=O)/C(=C\C3=CC(=C(C(=C3)OC)OC)OC)/CC2 1 4.197 0 5 -0.582510863670267 5911450 COC1=CC=C/C(=C\NNC(=O)CNC(=O)C2=CN=CC=C2)/C1=O 1 -1.396 4 4 0 -13.479127951118 5911428 CC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CN2 1 2.207 2 2 -0.952847596137886 5911396 CC1=NN=C(S1)N2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC=C(C=C5)F 1 2.678 3 5 0 -11.4863433467122 5911389 CC(C1=NC2=CC=CC=C2N1CC3=C(C=CC=C3Cl)Cl)NC(=O)/C=C/C4=CC=CO4 1 5.795 3 2 -9.42163199629355 5911387 C1=CC(=CC=C1C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2CCCO)Br 1 3.395 1 4 -5.81552576974137 5911382 CC1=CC=C(C=C1)CC(=O)O/N=C(/C2=CC=C(C=C2)OC)\N 1 2.891 2 3 1.50781594490553 5911346 CC1=CC(=NC2=C(C(=NN12)/C(=C/C3=CC=CC=C3)/C#N)C#N)C 1 2.8 5 0 -13.643166482877 5911124 CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)C5=CC=CC=C5 1 5.584 3 4 0 -3.90482815198372 5911258 CCN(CC)CC1=C2C(=CC(=C1O)Cl)C3=C(CCCC3)C(=O)O2 1 4.526 1 3 -3.1596007199607 5911074 CC(=O)NC1=NC2=NC(=CC(N2N1)C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 2.554 5 2 0 -4.68952596449135 5911071 C1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=N/NC(=O)CNC(=O)/C=C/C4=CC=CC=C4)/C2=O 1 3.081 4 3 0 -9.15800139203814 5911039 C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CCCC(=O)O 1 3.091 1 5 -10.3207290008461 5910965 CC1=CC(=C/C(=C\NNC(=O)C2COC3=CC=CC=C3O2)/C1=O)[N+](=O)[O-] 1 0.968 3 6 0 -2.95520352983605 5910916 COC1=CC=C(C=C1)C(=O)/C=C/NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.921 2 4 -1.80707480409809 5910871 CC1=NN=C(C1=NNC2=CC=CC=C2C(=O)OC)C 1 1.679 4 2 0 -7.45755883181671 5910743 CCC(CC)C1=NN2C(=C(C(=O)N=C2S1)/C=C/3\C=NC4=CC=CC=C43)N 1 3.888 5 1 -10.2482000054341 5910688 C1=CC(=C(C=C1Cl)Cl)/C(=C\2/C(=CC(=CN2)C(F)(F)F)Cl)/N=O 1 4.24 2 1 2.89696166064873 5910687 CCOC(=O)C(=O)/C(=C/NC1=CC=CC=C1)/C#N 1 1.558 2 3 0 -6.09245201916605 5910668 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)CNC(=O)C3=CC(=CC=C3)OC 1 0.805 4 3 0 -12.4441443543104 5910653 CCCN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)C3=CC=NC=C3)/C1=O 1 0.752 5 3 0 -13.7231672265274 5910607 CC\1=NN(C(=O)/C1=C\NNC(=O)C)C2=CC=CC=C2 1 -0.381 4 2 0 -4.71703652149492 5910561 CCC(=C1C(=O)NC(=O)NC1=O)NNC(=S)NC2=CC=CC=C2 1 1.553 5 3 0 -11.5619063740746 5910559 COC1=CC=C/C(=C\NNC(=O)CNC(=O)C2=CC=CO2)/C1=O 1 -0.851 3 5 0 -11.3127295659936 5910528 CN(C)CCCN1C(/C(=C(/C2=CC(=C(C=C2)OC)OC)\O)/C(=O)C1=O)C3=CC=CC=C3OC 1 2.528 2 6 0 -10.5574704165086 5910501 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN/C=C/3\C=CC(=O)C(=C3)OC 1 0.293 8 4 0 -18.5054201577325 5910407 CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)NN/C=C/3\C=CC(=O)C(=C3)OC 1 0.464 5 3 0 -2.48619758451321 5910325 CCC1=CC\2=C(C=C1)N(C(=O)/C2=N\NC3=NC(=O)CS3)C 1 2.18 4 2 -6.29674179342665 5910213 C1=CC=C(C=C1)/C=C/CSC2=NC3=C(N2)C=CC=N3 1 3.525 3 0 2.85376879702082e-003 5910118 C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC(=CC=C5)O)/O 1 2.352 2 6 0 -9.42532743337894 5910021 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Cl)N4CCC(CC4)C(=O)N 1 2.208 5 4 0 -13.1873487160687 5909945 CC1=CC=C(O1)/C=C(\C#N)/C(=O)NCC2CCCO2 1 1.244 2 3 0 -19.4807267480193 5909859 COC1=CC=CC=C1/C=C(\C(=O)NCCCN2C=CN=C2)/NC(=O)C3=CC=CC=C3 1 1.782 4 3 0 -17.9225176160568 5909825 COC(=O)C1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCCN5CCOCC5 1 1.906 2 8 0 -15.0978843254787 5909652 CC1=C(C=CC(=C1)C(C(=O)OC)(C(F)(F)F)O)N/C=C/2\C=CC=CC2=O 1 2.793 1 4 -8.49419888177417 5909617 CC1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)N)O 1 4.138 3 3 10.4726577002857 5909558 C1=CC=C(C=C1)/C=C/C2=NN=C(O2)SCC3=C(C=CC=C3Cl)Cl 1 5.592 2 1 -6.29832147904043 5909451 CCO/C(=C/1\C(N(C(=O)C1=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])/O 1 3.112 2 6 0 -10.4978118884912 5909351 COC1=CC=C(C=C1)C2CC(N3C(=N2)C(=C(N3)C(=O)O)Br)C(F)(F)F 1 2.008 3 3 -0.817542176519908 5909324 C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O 1 4.373 2 3 -8.22747516521863 5909322 C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)O 1 4.501 2 2 -3.47504709573315 5909312 C1=COC(=C1)CNC(=S)NNC=C2C=C(C(=O)C(=C2)Br)Br 1 2.225 3 2 -6.31269629426368 5909256 COC1=CC=C(C=C1)/C=C(\C(=O)NCCC2=CNC3=CC=CC=C32)/NC(=O)C4=CC(=C(C=C4)OC)OC 1 4.143 3 5 0 -26.0885742676276 5909221 CCCCC(=O)NN/C=C/1\C(=O)NC(=O)N(C1=O)C2=CC=CC3=CC=CC=C32 1 1.719 4 4 0 -7.05705984850764 5909191 CC(=O)N(C(=O)C)N1C(=O)/C(=C/C2=CC=C(C=C2)Cl)/SC1=S 1 2.87 2 3 -3.6247608168181 5909169 CN(C)C1=CC=C(C=C1)/C=C(\C(=O)NCCN2CCOCC2)/NC(=O)C3=CC=CC=C3 1 1.983 4 3 0 -23.8618009522178 5909148 CC1=CC(=O)/C(=C/2\CC(=NC3=CC=CC=C3N2)C4=CC=CO4)/C=C1 1 3.617 2 2 -8.30408399447229 5909101 CCOP(=O)(/C=C(/C1=CC=CC=C1)\Cl)C(C2=CC=C(C=C2)F)O 1 3.334 0 3 -1.09721049437533 5908851 C1=CC=C(C=C1)C(=O)NN/C=C\2/C3=CC=CC=C3C(=O)O2 1 1.371 2 3 0 -4.62768578921012 5908828 CCO/C(=C/1\CCN(C(=O)C1=O)CC2=CC=C(C=C2)C(C)(C)C)/O 1 3.334 1 4 -1.25851650803738 5908804 C1CC2=C(C3=CC=CC=C3NC2=C1C=C4C=CC(=O)C=C4)C(=O)O 1 3.064 1 3 -7.35148838856363 5908775 C\1CN2C(=NC3=CC=CC=C3C2=O)/C1=C/N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-] 1 2.748 5 3 0 -4.27155457381823 5908690 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=C(C4=CC=CC=C4S3)Cl)/C=N2 1 3.501 3 1 2.86143379371177 5908609 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NC2=CC=C(C=C2)NC(=O)C 1 1.186 4 4 0 -14.7300084115603 5908470 CC1=CC(=O)/C(=C/NNC2=CC=CC=C2Cl)/C(=O)O1 1 1.87 2 3 0 -1.82969521035993 5908395 CCOC1=CC2=NC(=C(C=C2C=C1)/C=C/C(=O)C3=CC=CO3)Cl 1 4.489 1 3 3.46453214240033 5908364 CC1=CC(=CC(=C1)N2C(=O)/C(=C\C3C(=NN(C3=O)C4=CC=CC=C4)C)/C(=O)NC2=O)C 1 2.888 4 4 0 -2.23983145110628 5908361 CC1=C(NC(=C1C(=O)OC)C)C(=O)/C=C/C2=CC=CC=C2Cl 1 4.238 1 3 -2.99464645662097 5908320 C1CS(=O)(=O)CC1NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 1.502 2 4 0 -24.1488448571739 5908262 COC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CC=CO3)C4=C(C=C(C=C4)OC)OC)/O 1 3.092 1 7 0 -6.76883012269645 5908188 CC1=C(C=NN1C2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCCN(C)C)C4=CC=CO4)/O 1 2.237 4 4 0 -7.51357117072227 5908141 CC1=C2C(C3=C(CC(CC3=O)(C)C)N=C2NN1)C4=CC=CS4 1 1.647 3 1 0 -18.4290392132045 5908022 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2CCCCC2)/NCCN3CCOCC3 1 1.279 4 4 0 -13.3627083399866 5907935 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)N/C=C/3\C=CC=CC3=O)OCC(=O)O 1 2.481 2 5 0 -10.8484184798878 5907838 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)NN/C=C/3\C(=O)C=CC4=CC=CC=C43 1 1.674 4 2 0 -5.8000858331484 5907803 COC1=C(C=C(C=C1)CCN2C(=O)/C(=C\NC3=CC=C(C=C3)F)/C(=O)NC2=O)OC 1 2.489 3 5 0 -9.1295685549956 5907754 CCOC1=CC(=O)/C(=C\2/C(=CN=C(N2)N)OC3=CC=CC=C3Br)/C=C1 1 1.853 3 3 0 -4.95296002984029 5907716 CC1=CC=C(C=C1)N2NC3=C(CCC(=C3N2)N=O)N=O 1 1.378 5 2 0 -2.09487174002345 5907645 C1CC12C3C=CC2C4C3C(=O)N(C4=O)N/C=C/5\C=C(C=C(C5=O)[N+](=O)[O-])Br 1 0.36 3 5 0 -4.09314307902925 5907657 CCC(=C1C(=O)NC(=O)NC1=O)NC(C)C2=CC=CC=C2 1 1.349 3 3 0 -12.1949191800133 5906136 C1=CC=C(C=C1)/C=C(\C#N)/C2=NNC(=N2)CN3C=NC=N3 1 1.259 7 0 0 -12.9624440941999 5906125 CN1C(=O)C(=CNN2CCCCC2)C(=O)N(C1=O)C 1 -0.678 4 3 0 -8.46119461254967 5906085 C1=CC=C2C(=C1)NC3=NC(=NC(N23)C4=CN=CC=C4)N 1 1.445 6 0 0 -2.74704007970373 5906044 C1=CC=C(C(=C1)N/C=C(/C=NC2=CC=CC=C2O)\[N+](=O)[O-])O 1 2.386 3 4 0 6.22967149655314 5906032 COC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)NC(=O)C4=CC=CO4)C5=CC=C(C=C5)F 1 3.163 5 3 0 -0.782553348202564 5905984 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NCC2=CC=CO2 1 0.976 3 4 0 -15.4324792029544 5905960 COC1=CC=CC=C1C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)NCCCN3C=CN=C3 1 2.53 4 3 0 -17.9626340501481 5905894 COC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CC3CCCO3 1 3.389 1 3 -11.6445516740504 5905890 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)/NCC3=CC=CO3 1 2.6 3 4 0 -7.70722876953424 5905829 C1=CC(=CC=C1N/C=C\2/C(=NNC2=O)C(F)(F)F)Cl 1 2.346 3 1 -5.84140990181919 5905805 CCC(=C1C(=O)N(C(=O)N(C1=O)C)C)NCCC2=CC=CC=C2 1 1.705 3 3 0 -11.7844267227203 5905781 C1CN(CCN1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)OCCCF 1 3.699 2 2 -2.46626527232549 5905780 C1=CC(=CC=C1CNC(=O)/C=C/C2=CC=C(C=C2)OCCCF)Cl 1 4.2 1 2 -5.02473474289545 5905739 C1CC2=C(C=CC(=C2)C(=O)/C=C/C(=O)O)C3=CC=CC=C31 1 3.932 0 3 2.55624268228745 5905705 CC1=C(C(=NO1)C(=O)/C=C/N(C)C)C(=O)NC2=NC=CS2 1 0.534 4 3 0 -11.8162859851625 5905555 COC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCCC4)OCC=C 1 3.07 5 4 0 -30.5240852039267 5905548 CCCCN1C(=O)/C(=C(\CC)/NCC2=CC=CO2)/C(=O)NC1=O 1 1.688 3 4 0 -11.4522861957389 5905533 COC1=CC=CC(=C1)C2=C3C(=CC(=N2)C(=O)NCC4CCCO4)C5=CC=CC=C5N3 1 4.098 3 3 -3.29978488691016 5905402 C1=CC=C2C(=C1)C3=C(C(N4C(=N3)N=CN4)C5=CC=C(C=C5)Br)C(O2)C6=CC=NC=C6 1 2.972 5 1 -2.58757614400039 5905369 C#CCN1C2=CC=CC=C2/C(=N/NC(=O)C(C3=CC=CC=C3)O)/C1=O 1 2.545 3 3 -12.1170045210655 5905321 CC1=NC=C(C=C1)C(=O)NN/C=C/2\C=C(C=C(C2=O)OC)[N+](=O)[O-] 1 -0.431 4 5 0 -6.35521467506025 5905253 C1CS(=O)(=O)CC1N2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC=C(C=C5)F)/SC2=S 1 2.517 3 5 0 -17.6413395692068 5905251 C1=CC=C(C=C1)/C(=N/C(=O)NC2=CC=C(C=C2)Cl)/NO 1 3.126 3 2 -0.550503941299915 5905206 CN1C=C(C2=CC=CC=C21)/C=C/C(=O)C3=CC=CC=C3 1 4.201 1 1 3.66141369808468 5905204 CC1(C2(CCC1(OC2=O)C(=O)NNC=C3C=CC(=O)C=C3)C)C 1 0.92 2 4 0 -7.37638377361625 5905073 CC1=C2C(C3=C(CC(CC3=O)(C)C)N=C2NN1)C4=CC=C(C=C4)O 1 1.662 3 2 0 -15.057222336493 5905056 C1COC2=C(C=C(C=C2)/C=C/C(=O)C3=C(C4=CC=CC=C4C=C3)O)OC1 1 4.216 0 4 1.72151790917821 5904972 COC1=C/C(=C/NNC(=O)NC23CC4CC(C2)CC(C4)C3)/C=CC1=O 1 1.169 3 3 0 -4.53918657378735 5905031 CC1=CC=C(C=C1)CON/C=C\2/C(=O)C=C(OC2=O)C 1 1.522 1 4 0 -2.36012445358377 5904932 CCCC\1=NN(C(=O)/C1=C/NCCCOC)C2=NC3=CC=CC=C3S2 1 2.201 4 2 -10.4634455030107 5904928 COC1=C/C(=C\NNC(=O)C2=NC(=CC=C2)C(=O)NN/C=C/3\C=CC(=O)C(=C3)OC)/C=CC1=O 1 -0.735 5 6 0 -5.27882815192201 5904900 C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Cl)C(=O)/C=C/C3=CC=CC=C3 1 3.467 1 3 -8.50913496957918 5904880 C1=CC(=O)C=CC1=CNNC2=C(C=C(C=N2)Cl)Cl 1 2.489 3 1 5.14887482481695 5904877 CC1=C(C(=CC=C1)OC2=N/C(=C/3\C=CC=C(C3=O)OC)/NC4=CC=CC=C42)C 1 4.88 2 3 -0.410237918233292 5904838 CC1=CC=C(C=C1)/C=C/C(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 1 3.029 1 3 -13.4821477801432 5904808 CN(C)C1=C2C(=C(C(=C1)N=C3C=CC(=O)C=C3)[N+](=O)[O-])NON2 1 2.324 5 4 0 -1.31713691435895 5904787 COC1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCCN5C=CN=C5 1 1.949 3 6 0 -6.98955264235955 5904767 C1=CC(=CC=C1NC(=O)CCC(=O)NN/C=C/2\C=CC(=O)C=C2O)F 1 1.e-002 3 4 0 -6.81702437520666 5904747 COC1=CC(=C(C=C1)C(=O)/C=C/C2=C(C=C(C=C2)OC)OC)O 1 3.41 0 5 4.02248057961833 5904704 C1=CC=C(C(=C1)C2=CC(N3C(=N2)N=CN3)C4=CC=CO4)Cl 1 2.018 4 1 -3.37500639281139 5904691 CC(C)C(=O)NC1=NN=C(S1)/C=C/C2=CC=C(C=C2)OC 1 2.93 3 2 -8.19363095229651 5904589 C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CC=CC=C4)C5=CC(=CC=C5)O)/O 1 3.503 1 6 0 -8.39411457982508 5904585 CC(C(=O)/C=C/N(C)C)OC1=CC=C(C=C1)Cl 1 2.698 1 2 -0.598965616826312 5904559 C1=CC=C(C=C1)C2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=CC=C4 1 4.131 0 4 2.93736874525449 5904533 C1CCN(C(C1)C2=CN=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Cl 1 4.065 4 1 -0.439393829745022 5904529 CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCCC4 1 3.346 6 2 0 -25.7866114066006 5904397 CCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NC2=CC=C(C=C2)N 1 2.602 2 4 -9.61075079626028 5904510 C/C(=C\C(=O)C)/NNC1=C2C=CC=CC2=NC1=O 1 3.4e-002 3 2 0 -5.55962775590096 5904485 CC1=C/C(=C/2\CC(NN2)C3=CC=C(C=C3)Cl)/C(=O)C=C1 1 2.45 2 1 -1.26365766361623 5904441 C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/C#N 1 2.991 4 3 0 0.723987322348517 5904335 CC1=C(N2C=CC=CC2=N1)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 3.047 3 3 -3.87713063203997 5904254 CC1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 2.633 6 4 0 -26.8456918330784 5904239 CSC1=CC=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCCC4 1 3.028 5 2 0 -18.6268222262596 5904230 CC(=C1C(=O)N(C(=O)N(C1=O)C)C)NNC2=CC=CC=C2 1 0.804 4 3 0 -7.35578149642421 5904198 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2 4.75496365220884 5898736 CN(CC1=CC=CC=C1)/C=C/C(=O)C(F)(F)F 1 2.722 1 1 -0.220358075492076 5898705 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2CCCCC2)/NCC3=CC(=CC(=C3)OC)OC 1 3.003 3 5 0 -13.5887490107381 5898698 CCOC(=O)C1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/S(=O)(=O)C4=CC=CC=C4 1 2.745 4 5 0 -19.1888798169989 5898671 CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCOCC3)C4=CC=C(C=C4)Cl 1 3.564 1 4 8.51827033030891 5898644 COC1=CC=CC=C1/C=C/C(=O)NCC(=O)NNC2=C3C=CC=CC3=NC2=O 1 0.626 4 4 0 -13.5245268860067 5898598 CCCCN1C(C(SC1=S)(C)C)/[N+](=C/C2=CC=C(C=C2)S(=O)(=O)NC)/[O-] 1 3.784 3 3 -11.6160874882843 5898520 CCN(CC)C1=CC(=O)/C(=C/NNC(=O)C2=CC=CO2)/C=C1 1 0.87 3 3 0 -5.84795104219119 5898471 CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=CO4)/O 1 3.154 2 6 0 -13.371958840696 5898448 COC1=C/C(=C/NNC(=O)C(=O)NCC2CCCO2)/C=CC1=O 1 -1.257 3 5 0 -13.1499017082255 5898383 CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)OC)\O)/C(=O)C1=O)C3=CC=CS3 1 3.042 2 4 -9.70208412201396 5898321 CC1=CC(=C(C(=C1)C)N2C(=O)/C(=C\NN3CCCCC3C4=CN=CC=C4)/C(=O)NC2=O)C 1 2.613 5 3 0 -2.48392018211851 5898337 CC1=CC2=C(C=C1)NC3=NCCCN23 1 1.526 3 0 0 -7.18986505996824 5898179 CCC(C)N1C(=O)/C(=C/NCCN2CCOCC2)/C(=O)NC1=S 1 0.532 4 3 0 -9.65277600939126 5898306 CC(C)(C)CC(=O)O/N=C(/C1=CC=NC=C1)\N 1 1.153 3 2 0 -1.39040777824065 5898300 COC1=C(C=C(C=C1)C2C/C(=C/3\C(=O)C4=CC=CC=C4OC3=O)/NN2C5=CC=CC=C5)OC 1 4.109 2 5 0 -4.79599340249919 5898292 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)NC(=O)/C=C/C(=O)O 1 2.417 3 3 -1.19586256392867 5898230 C1=CC(=C(C=C1Cl)Cl)C(=O)/C(=C/C2=CC=NC=C2)/N3C=CN=C3 1 3.254 3 1 1.72916369922883 5898222 CC1=CC=CC=C1OCCC(=O)NN/C=C\2/C=C(C(=O)C(=C2)Br)OC 1 1.717 2 4 0 -1.30488473837657 5898209 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)/C=C/C3=CC=CC=C3 1 3.687 4 3 0 -9.37005743439399 5898134 CN1C(=CN=C1/C=C/C(=O)C2=C(C=CC(=C2)Cl)O)Cl 1 3.083 2 2 7.61298830228974 5898101 CCCCN(CCCC)C\1=NC2=CC=CC=C2N/C1=C(/C#N)\C(=O)OCC 1 3.99 4 2 -10.5970719805776 5898073 C1=CC=C(C(=C1)/C=C/C2=NC(=O)C3=CC=CC=C3N2)Cl 1 3.625 2 1 -2.80831231186148 5897880 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)/C=C/4\C(=O)NC(=O)N(C4=O)C5=CC=CC=C5F 1 2.305 4 5 0 -9.46271820942432 5898005 C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Br)C(=O)/C=C/C3=CC=CO3 1 2.946 1 4 -10.8735397828734 5897904 CCO/C(=C/1\C(N(C(=O)C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)Br)/O 1 2.671 2 6 0 -11.1636608545247 5897842 C1=CC=C(C=C1)CSC2=NC=C/C(=C/N=O)/N2 1 2.058 3 1 -6.17751335525811 5897735 CCOC(=O)C1=C(SC(=C1C)C)N/C=C/2\C=C(C=C(C2=O)[N+](=O)[O-])OC 1 2.151 2 6 0 -11.8905427756648 5897710 CC1=CC(N2C(=N1)N=C(N2)N)C3=CC=CC=C3 1 0.699 5 0 0 -3.49093404899539 5897572 C1=C/C(=C\NN/C=C\2/C(=O)C(=CC=C2)O)/C(=O)C(=C1)O 1 -0.934 2 4 0 -1.88804508793368 5897296 C1=CC=C(C(=C1)C(=O)N=N/C=C\2/C(=NC(=O)S2)N3C=CC(=C4C=CNC=C4)C=C3)O 1 1.602 5 3 0 -4.90755586829305 5897258 C1=CC=C(C=C1)/C=C/CC2=C(N(C=CC2=O)CC3=C(C=C(C=C3)Cl)Cl)O 1 5.639 1 2 3.72222984204028 5897255 CC1=C(C=NN1C2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCCN(C)C)C4=CC=CS4)/O 1 2.796 4 3 0 -7.0500515916487 5897240 COC\1=CC(=O)S/C1=C\NC2=C(C=C(C=C2)Cl)Cl 1 2.988 1 2 0.452202106711451 5897172 C1=C/C(=C\NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)/C(=O)C=C1 1 2.74 2 3 -6.72007769783503 5897128 CC(=C1C=CC(=O)C=C1)NNC(=O)C2=CC3=C(C=C2)OCO3 1 1.288 2 4 0 -5.95502752129139 5897101 C/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)/NN3CCCCCC3 1 1.663 4 3 0 -6.59886961447902 5896951 COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=CC(=C(C(=C3)OC)O)OC 1 4.319 0 5 3.88424387445924 5896921 COCC\1=NNC(=O)/C1=C/NCC(=O)OC 1 -1.818 3 4 0 -18.7604022365796 5896851 CN1CCN(CC1)C2=C(N=C(O2)/C=C/C3=CC=CC=C3)C#N 1 2.671 4 1 -1.18583761010562 5896840 CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCC(C)C)/C=C/C3=CC=CC=C3OC 1 4.858 2 4 -20.2320789145419 5896794 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=CC=C(C=C3)N)/C=N2 1 0.937 4 1 0 -1.659521638037 5896753 CCOC(=O)/C=C/C(=O)OCC(=O)NC1=CC(=CC=C1)Br 1 2.223 1 5 -4.63991119469897 5896683 CC1=CC=C(C=C1)CC(=O)O/N=C(/CC2=CC=C(C=C2)[N+](=O)[O-])\N 1 2.837 3 4 0 0.482003853254026 5896614 CC(C)N1C2=CC=CC=C2/C(=N/NC3=CC(=C(C=C3)Cl)C(=O)O)/C1=O 1 3.756 3 3 -7.45710566157873 5896496 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3)OCC#N 1 2.273 2 7 0 -18.9191298978943 5896424 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3N=C2 1 2.285 4 5 0 -12.3794710323673 5896303 CC1=C(N2C=CC=CC2=N1)C(=O)N/N=C\3/C4=CC=CC=C4N(C3=O)C 1 1.421 5 2 0 -4.43756155368177 5896271 C1CCC2=NN=C(N2CC1)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C#N 1 2.954 5 2 0 -15.1121134635306 5896211 C/C(=C\1/C=CC=CC1=O)/NN2C(NC3=CC=CC=C3C2=O)C4=CC=CO4 1 2.537 3 3 -10.7342144243238 5895923 CC(C)N1C2=CC=CC=C2/C(=N/NC(=O)CC3=CSC(=N3)N4CCOCC4)/C1=O 1 1.387 5 3 0 -8.62990063853549 5895905 COC1=CC=C(C=C1)/C=C(\C(=O)NCCC2=CNC3=CC=CC=C32)/NC(=O)C4=CC=C(C=C4)OC 1 4.16 3 4 0 -22.1126957091481 5895840 CCC(=O)NC1=CC=CC(=C1)C(=O)/C=C/C2=CC=CC=C2 1 3.489 1 2 -3.04688181480429 5895416 CC1=CC=CC=C1/C=C/C2=NC(=O)C3=CC=CC=C3N2 1 3.447 2 1 -3.66840196773196 5895340 CC(=O)NC1=CC=CC(=C1)C2=CC(N3C(=N2)N=CN3)C4=CC=CO4 1 0.474 5 2 0 -7.14292051917469 5895333 COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3/C(=C/NC4=CC=CC=C4C(=O)O)/C2=O 1 3.346 2 5 0 -5.86180482918276 5895129 CCN(CC)C1=CC(=O)/C(=C/NNC2=NC3=CC=CC=C3N2)/C=C1 1 1.66 5 1 0 0.739927643435367 5895112 C1OC2=C(O1)C=C(C=C2)CNC(=S)/C(=C(/C3=CC=C(S3)Cl)\[O-])/[N+]4=CC=CC=C4 1 4.008 2 3 -1.93167669234719 5894808 C1=CC=C(C=C1)C(=O)/C=C/C2=CN(N=C2C3=CC=C(C=C3)Br)CCC(=O)O 1 4.776 2 3 -0.884512362614261 5894545 CN=C1N(C(=CS1)C2=CC=CC=C2F)N/C=C/3\C=CC(=O)C(=C3O)O 1 1.11 3 3 0 -4.08118163789247 5894323 C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)/C#N 1 4.125 2 4 -14.4147297631531 5894523 CCOC1=CC=CC=C1N2C(=O)/C(=C/NCCCN3C=CN=C3)/C(=O)NC2=O 1 0.27 5 4 0 -8.15138018899485 5894042 CC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-])C 1 4.027 2 3 -2.53093554066625 5894133 COC1=C(C=C(C(=C1)C(=O)/C=C/C2=CN=CC=C2)[N+](=O)[O-])OC 1 2.413 2 5 0 -6.09575698644819 5893992 C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-])/O 1 3.847 2 5 0 -8.77754561727529 5893890 C/C(=C\1/C=CC=CC1=O)/NNC(=O)CN2CCCCC2 1 0.779 3 2 0 -7.74043064494846 5893769 C1CN(CCN1)S(=O)(=O)/C=C/C2=CC=CC=C2 1 0.31 2 2 0 -4.84925990072041 5893737 CC1=CC(N2C(=N1)N=C(N2)NC(=O)CCCC(=O)O)C3=CC=C(C=C3)Cl 1 1.655 5 3 0 -12.7601880362931 5893661 C1=CC=C(C=C1)C(=O)O/N=C(/CC2=CC=C(C=C2)Cl)\N 1 3.086 2 2 3.99360742806765 5893611 CC1CCCN(C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4OC)C)O 1 4.432 1 4 5.62311424020843 5893607 CC1=CC2=C(C=C1)O/C(=C\3/C=CC(=CC3=O)NC(=O)CC4=CC(=C(C=C4)OC)OC)/N2 1 3.488 2 5 0 -11.2356850448373 5893424 C1=CC=C(C=C1)C(C(=O)O)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC=CC=C4Cl)/SC2=S 1 6.117 1 4 -3.08364206714942 5893292 COC1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC=CN3)/C(=O)NC2=O 1 2.022 3 4 0 -1.17795035043298 5893098 CCC1(CC(=C(CO1)/C=C(\C#N)/C(=O)OCC)N2CCCC2)C 1 2.208 2 3 -10.4354721693898 5893031 CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN(C)C)OC3=CC=CC=C3OC 1 2.981 1 5 5.1683239958819 5892843 C1=CC=C(C=C1)/C=C/C2=NC(=O)C=C(N2)C3=CC=CC=C3 1 3.133 2 1 -3.39081302024673 5892724 CC1CCCN(C1)CC2=C(C=CC3=C2OC(=O)C(=C3C)CC(=O)OC)O 1 3.264 1 5 -3.03909866865602 5892636 COC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CO4)/O 1 2.081 2 5 0 -9.67651832089959 5892572 CC1=CC(=C(C=C1)SCC2CN=C3N2C(=O)C4=CC=CC=C4N3)C 1 4.041 3 1 -11.4570484104192 5892531 COC1=CC(=CNNC(=O)C(=O)N)C=C(C1=O)OC 1 -2.134 3 5 0 -1.79372308073615 5892307 C1=CC=C(C=C1)OCCCC(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 3.54 2 3 -0.737009792053003 5892290 C1CCCCCC(CCCCC1)NC(=O)/C=C/C(=O)O 1 4.212 1 3 -7.95304432143997 5892287 CN1C=C(C(=N1)/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2)Cl 1 2.726 3 2 -4.54611616411185 5892268 CCC1=NN=C(S1)NC(=O)CSC2=NN/C(=C/3\C=C4C=CC=CC4=CC3=O)/N2CC 1 2.369 6 2 0 -24.2194687788103 5892182 CN(C)/C(=C\1/C(=O)OC(=N1)C2=CC=CC=C2)/CN3CCCCC3 1 2.556 3 2 -3.9351877815847 5892137 C1CC(OC1)CNC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C5=CC=C(C=C5)F 1 4.32 3 2 -3.72577667450629 5891750 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 3.527 4 4 0 3.18530136830539 5891516 CC1=CC=C(C=C1)NC(=O)/C=C/2\NC(=O)CS2 1 1.554 2 2 0 -9.2025020262852 5891548 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)NCCCN3C=CN=C3 1 2.547 4 2 -17.3249458775211 5891507 CC1=CC(=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)[N+](=O)[O-] 1 2.911 2 7 0 -5.96150138169381 5891295 CC1=CC=C(O1)/C=C\2/C(=O)N(C(=S)S2)N/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 2.298 3 5 0 -5.4531274465035 5891272 CCC(C1=CC=CC=C1)C(=O)O/N=C(/C2=CC=C(C=C2)C)\N 1 3.826 2 2 -1.66214696293356 5891052 CC1=CC(=C(C=C1/C=C/2\C(=O)N(C(=O)N2)CC(=O)OC)OC)OC 1 1.103 2 6 0 -10.0778253355487 5890723 C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)/C=C/C4=CC=CC=C4OC(F)F 1 3.32 4 2 -0.300813064193627 5890581 CC1=CC=CC=C1/[N+](=C/C2=CC=C(O2)C)/[O-] 1 2.524 1 2 -0.638876189129571 5890548 C1CN(CCN1CCC(=O)NNC(=O)/C=C/C2=CC=C(C=C2)F)CC3=CC=CC=C3 1 2.675 4 2 -2.92673118667935 5890540 CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCCN(C)C)C3=CC=CS3)/O)C)C(=O)OC 1 2.296 3 5 0 -13.2505631935479 5890451 C1CCC(=CC1)CCNC(=O)/C=C/C(=O)O 1 1.944 1 3 0 -9.88731984099791 5890427 CN\1C(=O)CNC(=O)/C1=C\C2=CC=C(C=C2)OC 1 0.206 2 3 0 -6.48238108581653 5890199 CCCCN1C(=O)/C(=C\NC2=CC=C(C=C2)Cl)/C(=O)N(C1=O)CC3=CC=CO3 1 3.375 3 4 0 -6.98039473113091 5889878 CCOC(=O)/C=C/C(=O)OCC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2 1 3.094 1 5 -11.2957500275718 5889697 COC1=C/C(=C\NNC(=O)CCC(=O)NC2=CC=C(C=C2)F)/C(=O)C=C1 1 0.236 3 4 0 -7.82235718326789 5889339 CC1=NN=C(S1)SCC(=O)NNC(=C2C=CC(=O)C=C2)C 1 0.648 4 2 0 -16.7122736860901 5889301 CC1=C(C=C(C=C1)NC(=S)/C(=C(/C2=CC=C(S2)Cl)\[O-])/[N+]3=CC=CC(=C3)CO)C 1 4.878 2 2 0.587102400974572 5889235 CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)OC)CCC#N 1 2.04 4 4 0 -17.3718113057348 5889252 CN(C1=CC=CC=C1)C(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-] 1 3.26 2 3 1.27936546495437 5888986 C1C(C2=C3C(=C(SC2=NC1=O)N)C(=C(C(=N3)N)C#N)N)C4=C(C=CC=C4Cl)F 1 0.93 6 1 0 -8.01736845825352 5888815 C1C(OC2=CC=CC=C2O1)C(=O)NN/C=C\3/C4=CC=CC=C4C(=O)N(C3=O)C5=CC=CC=C5Cl 1 3.071 3 5 0 -4.41304687763216 5888740 CC\1=NC2=CC=CC=C2/C1=N/NC3=CC=CC=C3F 1 3.518 3 0 -3.53023248157305 5888588 CC1=CC(=O)/C(=C/NC2=NNN=C2)/C=C1 1 0.406 4 1 0 -3.28696867154853 5888572 CCOC(=O)CN1C(=O)/C(=C\C2=CC=CO2)/SC1=O 1 1.599 1 5 0 -6.64077921802256 5888465 CC1=CC(=CC(=C1)N/N=C/2\C=NN=C2C3=CC=C(C=C3)OC)C 1 4.375 4 1 -0.408279621843243 5888359 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3N=C2 1 2.463 4 5 0 -10.0833637091831 5888344 CC1=C(C=CC(=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NC4CCS(=O)(=O)C4)Cl 1 2.136 4 5 0 -22.8587729615471 5888252 CC1=CC(N2C(=N1)N=NN2)C3=CC=CC=C3 1 2.352 5 0 -5.06872338468555 5888222 CCCCNC(=S)NN/C=C/1\C=CC=C(C1=O)OCC 1 1.92 3 2 0 -12.7819048623041 5888190 C/C(=C\1/C=CC=CC1=O)/NNC2=C(C=CC(=C2)C(F)(F)F)Cl 1 3.892 2 1 1.57659055617726 5887564 CC\1=NOC(=O)/C1=C/C2=CC(=C(C=C2)OCC#C)Br 1 3.637 1 3 0.180085951593246 5887472 CC1=CC=C(C=C1)/C=C/C2=NN=C(O2)C3=CC(=CC=C3)C 1 4.494 2 1 6.90680095711882 5887326 C1C2=CC(=CC(=C2OCO1)/C=C/C(=O)C3=C(C=CC(=C3)F)O)C(=O)O 1 2.883 0 6 4.37991625899256 5887315 CN(C)/C=C/C(=O)C1=CC2=C(ON=C2C=C1)C3=CC=C(C=C3)OC 1 3.308 2 3 3.2825024920101 5887300 CCC(C)N1C(=O)/C(=C\NCCC2=CC=CC=C2)/C(=O)NC1=S 1 2.61 3 2 -7.20399662011854 5887205 CC1=C(C(=NN1C)C)/C=C/C(=O)C2=CC=CC=C2 1 2.78 2 1 1.31167149376408 5887159 C1COCCN1CCNC(=S)NN/C=C/2\C=CC=C(C2=O)O 1 -0.157 4 3 0 -11.1249472735307 5886965 CC1=CC2=CC=CC=C2N1CCNC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC 1 3.75 2 4 -14.0369107790647 5886824 COC1=CC(=C(C=C1)/C=C(\C2=NC3=CC=CC=C3N2)/C(=O)N4CCOCC4)OC 1 2.767 3 4 0 -5.30718949498783 5886823 CCC1CSC(=N1)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)OC4=CC=CC=C4 1 6.564 2 2 0.374416476448221 5886744 CCOC(=O)CC1C(=O)NCCN1C2=C(C(=O)N3C=C(C=CC3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CC(C)C 1 2.643 5 5 0 -38.0887244558544 5886720 C1CSC(SC1)C(=O)NN/C=C/2\C=CC=CC2=O 1 0.737 2 2 0 -6.06606364079898 5886675 CC1=CC=CC=C1OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 2.633 6 4 0 -27.3708782973923 5886583 CC1=C(C=C(C=C1)N2C(=O)/C(=C\NCC3=CC=CO3)/C(=O)NC2=S)C 1 2.77 3 3 -6.08490314687899 5886450 COC(=O)CN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)C3=CC4=C(C=C3)OCCO4)/C1=O 1 0.523 4 7 0 -19.0934403330736 5886407 COC1=CC=CC(=C1)/C=C/C2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4 1 2.498 4 2 0.394206968523728 5886383 CC(C)C1=CC2=C(C(=O)N=C2C=C1)NNC(=O)C3=CC=C(C=C3)CSC4=NN=CN4C 1 2.506 6 2 0 -19.5078071848582 5886354 C1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=CC=C2)/NC3=C(C=C(C=C3)F)F 1 4.437 2 2 -9.84573846775222 5886337 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C\3/C(=O)N(C(=NC4=CC=C(C=C4)N5CCOCC5)S3)C 1 3.851 5 2 0 -5.60440148915021 5886258 C=CCN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)/C=C/C3=CC=CO3)/C1=O 1 1.509 4 4 0 -16.2130843010978 5886274 CCN(CC)CCN/C=C/1\C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2 1 0.976 4 3 0 -10.1453469684307 5886048 C1C(N=C2N=NNN2C1C3=CC=CC=C3)C4=CC=CS4 1 3.425 5 0 -2.89813998913378 5886166 C1CCC2=NN=C(N2CC1)/C(=C/C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5)/C#N 1 4.083 7 0 0 -4.15351257488875 5886017 CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC=C(C=C4)C(C)C 1 3.211 3 6 0 -22.6958336718426 5885830 C1=CC=C(C=C1)C\2=NN=C/C2=C\NNC(=O)C3=CC=CO3 1 1.274 4 2 0 -4.07771442367957 5885800 C1=CC=C(C(=C1)N/N=C/2\C(=NC(=O)NC2=O)N)Cl 1 1.372 5 2 0 -6.47120174997865 5885758 C/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)/NCCCN3C=CN=C3 1 0.435 5 4 0 -6.72548929749556 5885679 CC\1=NN(C(=O)/C1=N\NC2=CC=C(C=C2)NC(=O)C)C(=S)N 1 0.809 6 2 0 -5.94220540460383 5885717 CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)F 1 3.451 1 4 -6.42433196468083 5885533 COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)S2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.274 3 8 0 -0.795425383016049 5885591 CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC=CO2)S(=O)(=O)N3CCCCCC3 1 3.454 2 4 -16.4352862630165 5885550 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NCC3=CC=CC=C3)N4CCC(CC4)C(=O)N 1 1.488 6 3 0 -20.7906334673864 5885472 CC1=CC=C(C=C1)C2=N/C(=C\NC3=CN=C4C=C(C=CC4=C3)OC)/C(=O)O2 1 3.31 3 3 -5.68624123090804 5885402 C1CCN(CC1)N/C=C/2\C=CC=CC2=O 1 0.804 2 1 0 -3.68036825441055 5885398 C1=CC=C(C=C1)/C=C/C2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)Cl 1 4.054 4 1 -2.58411021520844 5885259 COC1=CC(=C/C(=C\NNC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4)/C1=O)[N+](=O)[O-] 1 1.162 8 4 0 1.11447131097435 5885257 COCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC=C(C=C4)O 1 0.807 2 8 0 -21.185286266656 5885161 COC(=O)C1=C(C=CS1)NC(=O)/C=C/C(=O)O 1 1.002 1 5 0 -8.30472957897121 5885031 CCCCC(CC)CNC(=O)CC1C(=O)N2C(=N1)C3=CC=CC=C3NC2=S 1 4.332 4 2 -17.4241175879798 5885002 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3N=C2 1 1.168 3 5 0 -14.22545621143 5884926 CC1=CC\2=C(C=C1)NC(=O)/C2=C\C3=CC=CO3 1 2.612 1 2 -1.66017849433695 5884795 CCOP(=O)(/C(=C(/C1=CC=C(C=C1)OC)\O)/C#N)OCC 1 1.266 1 5 0 -5.93353998762726 5884911 CCOC(=O)CSC1=N/C(=C\C2=CC(=C(C(=C2)OC)OC)OC)/C(=O)N1C 1 2.415 2 6 0 -20.2864451704706 5884815 C/C(=C\1/C=CC=CC1=O)/NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CC=C4 1 1.654 8 3 0 -23.3230008289481 5884233 CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NC3=NCCCS3 1 5.565 2 1 -4.19441276302047 5884223 CC1=CC(=C(C=C1)C2=CC=C(O2)/C=C\3/C(=C(C(=O)NC3=O)C#N)C)[N+](=O)[O-] 1 3.423 3 5 0 -2.70478978531274e-002 5884095 COC1=CC(=C/C(=C\NNC(=O)CC#N)/C1=O)[N+](=O)[O-] 1 -1.168 4 5 0 -8.23860352511143 5884006 C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4O 1 4.501 2 2 -2.12769815665437 5883965 C/C(=C\1/C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)/NCCC3=CNC4=CC=CC=C43 1 2.852 4 3 0 -11.0571022732228 5883766 CC1=C(/C(=C/C2=CC=CO2)/C(=O)N1C(C)C3=CC=CC=C3)C(=O)OC 1 3.046 1 4 -9.37745263848255 5883866 CCN1C/C(=C\C2=CC(=CC=C2)C)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O 1 1.648 2 2 0 1.89655044945817 5883673 CC1=C(C(=NO1)C2=CC=CC=C2)C3=N/C(=C\C4=CC(=C(C=C4)OC)OC)/C(=O)O3 1 3.826 2 5 0 -12.059225236096 5883809 C/C(=C\C(=S)NC1=CC=CC=C1)/NC2=CC=CC=C2 1 4.308 2 0 -1.99887989935603 5883651 CCC1=NC2=CC=CC=C2C(=C1)C(=O)NNC=C3C=CC(=O)C=C3 1 2.142 3 2 -6.37007584262431 5883576 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)CNC(=O)C3=CC(=C(C=C3)OC)OC 1 0.789 4 4 0 -16.3569223179869 5883356 CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=C(C=C2)F)/NC3=C(C=C(C=C3)F)F 1 4.483 2 2 -8.31568542482535 5883354 CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/NC3=C(C=C(C=C3)F)F 1 4.277 2 2 -8.65669736646782 5883336 CSC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N2CCC3=CC=CC=C32 1 3.612 1 3 -8.04438522902757 5883329 COC1=CC=C(C=C1)C2C/C(=C/3\C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)/NN2S(=O)(=O)C 1 3.135 3 4 0 -4.92362273855731 5883248 CC1=CC=C(O1)/C=C/2\C(=O)N(C(=O)N2)CC(=O)OC 1 0.19 2 5 0 -8.20849433754531 5883168 C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=C(C=C5)[N+](=O)[O-])/O 1 1.86 4 7 0 -8.67098422057264 5882944 CC1=CC(=NO1)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=CC=C4)Cl 1 3.057 3 3 -8.51391980276458 5883140 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)NN/C=C/2\C=C(C=CC2=O)OC 1 2.6e-002 4 4 0 -11.064909953095 5883113 C1=CC=NC(=C1)N/C(=N/S(=O)(=O)C2=CC=C(C=C2)Cl)/C3=CC=C(C=C3)Cl 1 4.743 3 2 -5.84716515459888 5882771 C1=CC=C2C(=C1)C(=CN2)/C=C/C3=CC=[N+](C=C3)CCO 1 3.174 2 1 8.12049494008367 5882753 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC(=CC=C3)OC)C 1 2.821 4 4 0 -8.32284438920466 5882673 CC(C)N=C1N(C(=CS1)C2=CC=CS2)N/C=C/3\C=CC(=O)C(=C3O)O 1 1.584 3 3 0 -6.46023890144169 5882645 CC\1=NN(C(=O)/C1=C(/C)\NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=NC4=CC=CC=C4S3 1 2.373 5 5 0 -8.77996088307719 5882413 C1COCCN1C(=O)/C=C/C2=C(C=CC=C2Cl)F 1 2.269 1 2 -7.69030104935608 5882323 C1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=C(C=C2)Br)/NC3=CC=CC4=CC=CC=C43 1 5.683 2 2 -9.74618681125891 5882237 C1C(=O)N=C(S1)NN/C=C/2\C=NC3=CC=CC=C32 1 0.951 4 1 0 -5.36954834797513 5881982 C1CCC(C1)C2CC/C(=C\C3=CC=C(C=C3)F)/C2=O 1 4.686 0 1 -0.637658157381261 5881835 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NCC3=CC=CO3)N4CCC(CC4)C(=O)N 1 0.67 6 4 0 -22.1293052371493 5881647 CC1=CC(=NC(=N1)N2CCOCC2)NN/C=C/3\C=CC=CC3=O 1 -7.2e-002 5 2 0 -2.90519934819229 5881608 C1=CC(=CN=C1)C2=NC=CC(=N2)NC(=O)/C=C/C3=CC=C(C=C3)OCCCF 1 2.758 4 2 -5.17166668264083 5881563 CC(C)/C=C/1\CCC2=C(C1=O)NC3=CC=CC=C23 1 4.523 1 1 -2.40893291512734 5881439 COC1=CC(=CNN2C(=NNC2=S)C3CCCCC3)C=C(C1=O)OC 1 1.908 4 3 0 -2.7900210692648 5881431 C=CCOC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5=CN=CC=C5 1 3.195 2 6 0 -14.9807562914498 5881398 COC1=CC=C(C=C1)/C=C/C(=O)NCC(=O)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-] 1 0.369 5 6 0 -12.3009474784536 5881233 C1=CC(=C(C=C1[N+](=O)[O-])NN=C2C(=O)NC(=O)NC2=O)O 1 0.306 5 6 0 -8.17185422342504 5881092 C1CS(=O)(=O)CC1N(CC2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3Cl 1 3.467 1 3 -9.99456810620198 5880955 CC(C)N1C/C(=C\C2=CN=CC=C2)/C(=O)/C(=C\C3=CN=CC=C3)/C1 1 2.332 3 1 -0.355609167204459 5880837 CNC1=C(C=C(C=C1)/C=C(\C#N)/C2=CC=CC=N2)[N+](=O)[O-] 1 2.636 4 2 -11.9523086628897 5880785 CC1=NC=C(/C(=C/NNC(=O)C2=CC=C(C=C2)Br)/C1=O)CO 1 0.166 3 3 0 -3.03800012693635 5880634 CC1=CC=CC=C1C(=O)NC2=NC3=NC(=O)CC(N3N2)C4=CC=CC=C4 1 2.937 5 2 0 -8.44192391950097 5880592 COC1=CC=CC=C1C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCCN5C=CN=C5 1 1.949 3 6 0 -7.64308317716985 5880402 CC1=CC2=C(C(=O)N=C2C(=C1)C)NNC3=NC(=O)CS3 1 1.276 4 2 0 -10.2059116543672 5880321 C1C/C(=C\C2=CC=CC=C2)/C3=C(C1)C(N4C(=N3)N=CN4)C5=CC=CC=C5 1 3.51 4 0 -5.17489874756582 5880147 C1=CC(=CC(=C1)[N+](=O)[O-])C2=C/C(=C/3\C=C(C=CC3=O)Br)/NN2 1 1.695 3 3 0 -3.46243834245039 5879909 CC1=CC=C(C=C1)N2C3=CC=CC=[N+]3/C(=C(/NCC4=CC=C(C=C4)OC)\[O-])/C2=S 1 4.857 3 2 -4.85292688381072 5880028 C1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 2.601 2 7 0 -13.1828312204194 5879555 C/C=C/CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C 1 1.904 4 2 0 -13.2215740946486 5879550 C1=CC=C(C(=C1)C(=O)NN/C=C\2/C(=NC3=CC=CC(=C3)C(F)(F)F)N=C4C=CC=CN4C2=O)[N+](=O)[O-] 1 1.913 6 4 0 -8.8745826565561 5879423 CC1=CC=CC=C1N2C(=O)/C(=C\NC3=NC=CS3)/C(=O)NC2=O 1 0.999 4 3 0 -6.13471876430607 5879339 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC4=C5C=C(C=CC5=NC4=O)[N+](=O)[O-] 1 2.991 5 4 0 -7.51518682145416 5879270 CC(=C1C(=O)N(C(=O)N(C1=O)C)C)NNC(=S)NC2=CC=CC=C2 1 1.441 5 3 0 -10.996495277787 5879183 CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NNC=C3C=CC(=O)C=C3 1 1.196 4 3 0 1.4227632209044 5879106 C1=CC=C2C(=C1)C=CC=C2C(=O)/C=C/NC3=C(C=C(C=C3)[N+](=O)[O-])Br 1 4.594 2 3 0.826399211628242 5878812 C1=C/C(=C\NN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Cl)/C(=O)C(=C1)[N+](=O)[O-] 1 2.636 4 4 0 0.354884301723251 5878803 COC1=CC2=C(C=C1)N=C(S2)N/N=C/3\C(=O)C=CC4=CC=CC=C43 1 3.579 3 2 1.10814408999217 5878720 CC1=CC2=NC(=C(C=C2C=C1)/C=C/C(=O)C3=CC=CO3)Cl 1 4.643 1 2 6.34844673330467 5878769 C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)/C=C/C3=CC=CC=C3Cl 1 4.054 4 1 -4.32754779264913 5878588 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)/NNC(=O)C3=CC=CC=C3 1 1.94 4 4 0 -10.1503115128606 5878610 CCCCCCC(=O)NNC1=C2C=C(C=CC2=NC1=O)[N+](=O)[O-] 1 1.685 4 4 0 -11.2708918437639 5878597 COC1=CC=C(C=C1)/C=C(\C(=O)NC2CCS(=O)(=O)C2)/NC(=O)C3=CC=CC=C3 1 1.486 2 5 0 -24.0968357871854 5878542 CC1=CC(=O)N=C(N1)NN/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4 1 1.358 5 3 0 -11.3066753885985 5878420 COC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=O)N2)CC(=O)OC)Cl)OC 1 1.281 2 6 0 -10.2418147583215 5878331 CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=NC(=C(C=C3N2)Br)C)F 1 3.833 4 1 -6.36433992737038 5878232 CC(C)(C)C1=C2C(C(=C(N=C2ON1)N)C#N)C3=C(C=C(C=C3)OC)OC 1 2.043 4 3 0 -11.7585730296873 5878229 CC1=CC(=CC=C1)NN/C=C/2\C=CC=CC2=O 1 2.258 2 1 1.96516015442567 5878220 CCN=C1N(C(=CS1)C)NC=C2C=C(C(=O)C(=C2)Br)Br 1 1.999 3 1 0 -4.33910554237339 5878100 C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCOCCO)C3=CC=CC=N3)/O 1 0.877 2 5 0 -6.76143199550855 5878033 COC1=CC=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2N)OCO3 1 2.707 1 4 -1.21152332843932 5877846 C1=CC(=CC=C1C2=CC(N3C(=N2)N=CN3)C4=C(C=CC(=C4)Br)F)Br 1 3.767 4 0 0.616702808525299 5877603 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)/C=C/C2=C(C=CC(=C2)[N+](=O)[O-])OC(F)F 1 3.676 3 6 0 -4.778740150935 5877586 CC1=CC(=NC(=N1)N/C(=N/C(=O)NC2=CC(=C(C=C2)Cl)Cl)/NC3=C(C=C(C=C3)OC)OC)C 1 4.743 6 3 0 -7.54193710642022 5877570 C1=CC(=CC=C1NNC2=C3C=C(C=CC3=NC2=O)Br)F 1 2.539 3 1 -1.23527588446045 5877450 CC1=CC=C(C=C1)N2C=CC=C2/C=C/3\C(=O)N(C(=O)N3)CC(=O)NC4=CC=CC(=C4)C 1 3.719 4 3 0 -4.54360998505747 5877273 CCO/C(=C\1/C(=O)N=C(S1)C2=C(C=C(C=C2)Cl)Cl)/O 1 3.927 1 3 1.1090121530619 5876976 CC1=CC=C(C=C1)C2C=C(N=C3N2NC=N3)C4=CC=C(C=C4)C 1 3.684 4 0 -1.12703555127518 5876739 C1=CC(=CC=C1CN2C(=O)/C(=C/NCCCN3C=CN=C3)/C(=O)NC2=O)F 1 0.15 5 3 0 -5.64312455821918 5876722 C1CCC(C1)NC(=O)/C(=C/C2=CNC3=CC=CC=C32)/C#N 1 3.04 3 1 -9.60187020491917 5876710 C1=CC=C(C(=C1)C(=O)O)SCC(=O)/C(=C\2/NC3=CC=CC=C3S2)/C#N 1 3.865 2 3 -8.72975860250772 5876611 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)OCC#N 1 2.833 3 6 0 -16.8034871980096 5876561 COCCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)\O)/C(=O)C1=O)C4=CC(=CC=C4)OC 1 2.325 2 7 0 -21.3162413461637 5876476 CC1=CC\2=C(C=C1)NC(=O)/C2=C\C3=CC=CC=C3C 1 3.703 1 1 -1.66013813939205 5876309 C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)N/N=C/3\C=CC(=O)C4=C3C=CC=N4 1 3.136 3 4 0 -6.17763226601017 5876304 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)OCC#N 1 1.52 3 7 0 -23.400586879727 5876262 CC(C)NC(=O)C1=CNN2C1=NC(CC2C(F)(F)F)C3=CC=CS3 1 1.453 4 1 0 -12.7509107652147 5876054 CC1=CC(=C(C=C1)N(CC(=O)NNC2=C3C=CC=CC3=NC2=O)S(=O)(=O)C)C 1 1.056 4 4 0 -15.0143957875043 5876027 CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCN3CCOCC3)\NC(=O)C4=CC=CC=C4OC 1 1.532 5 6 0 -22.0556801296235 5876026 CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCN3CCOCC3)\NC(=O)C4=CC=C(C=C4)OC 1 1.532 5 6 0 -20.866897601619 5876025 CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCN3C=CN=C3)\NC(=O)C4=CC=CC=C4 1 1.464 6 4 0 -17.5370815632743 5875901 CCOC(=O)CN1C2=CC=CC=C2O/C(=C\C3=CC(=CC=C3)Br)/C1=O 1 3.527 1 4 -3.33431709689454 5875932 CCN1C=C(C(=N1)C(=O)N2C(C3CCC/C(=C\C4=CC=CS4)/C3=N2)C5=CC=CS5)[N+](=O)[O-] 1 4.989 5 3 0 -13.7198119011994 5875895 CCOC(=O)CN1C2=CC=CC=C2O/C(=C\C3=CC=C(C=C3)Cl)/C1=O 1 3.443 1 4 -3.5375711794325 5875537 C1=CC=C2C(=C1)C=C(C=N2)/C=C/C(=O)NNC3=CC=CC=C3F 1 3.496 3 1 -1.57605559722727 5875505 C1CCC2=C(C1)C\3=C(O2)C=CC(=O)/C3=C\NN4C=NN=C4 1 1.197 4 2 0 -6.32093374074649 5875469 COC(=O)/C=C/C1=CC=C(C=C1)N2C=CN=C2 1 1.822 2 2 0 -2.41752252685879 5875450 C1CC2=CC=CC=C2C(/C(=C/C(=O)[O-])/C1)O.[Na+] Na+ 1 0.96 0 3 0 -3.14782812252949 5875432 CC(C)NC(=O)/C=C/C(=O)O 1 0.343 1 3 0 -10.0741155214414 5875400 COC1=CC=C(C=C1)NC(=O)N/C=C/C2=CC=CO2 1 1.843 2 3 0 -0.615497477859399 5875373 CC1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C)O 1 4.38 1 3 6.01277217052516 5875182 CC\1=NC2=CC=CC=C2/C1=C/C3=C(N4C(=NC3=O)SN=C4SC)N 1 3.126 5 1 -7.54174143870711 5875181 CSC1=NSC2=NC(=O)C(=C(N21)N)/C=C/3\C=NC4=CC=CC=C43 1 3.047 5 1 -5.4286781100863 5875180 CSC1=NSC2=NC(=O)/C(=C\C3=CC=CS3)/C(=N)N21 1 3.585 4 1 -9.21501001330482 5874829 CCCN1C(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)OCC)/NC1=S 1 2.948 2 4 -11.4250886974607 5874798 CC1=C(C=CC=C1N/C=C/2\C=C(C=C(C2=O)Br)Br)C(=O)O 1 3.12 1 3 -3.49732121887255 5874731 CNC\1=NC(=O)NC(=O)/C1=N/NC2=C(C=CC(=C2)Cl)Cl 1 2.243 5 2 0 -7.72492285918291 5874617 CC1=CC=C(C=C1)C2=NN3C(=C(C(=O)N=C3S2)/C=C/4\C=CC(=O)C(=C4)OC)N 1 3.007 4 3 0 -1.85390698783801 5874374 C=CCN1C(=O)C2=CC=CC=C2N=C1NNC=C3C=CC(=O)C=C3 1 1.616 4 2 0 -7.31531918264624 5874293 C1=CC=C(C=C1)C(=O)NC(C2=NNC(=O)C3=CC=CC=C32)C(=O)NN/C=C/4\C=C(C=CC4=O)[N+](=O)[O-] 1 0.677 6 6 0 -19.3930838529596 5874243 CCCNC=C1C=CC(=O)C=C1 1 1.117 1 1 0 -3.74219532902678 5874188 C/C(=C\C(=O)OC)/NNC1=C2C=CC=CC2=NC1=O 1 0.159 3 3 0 -7.33271994919067 5873904 C1=CC=C2C(=C1)NC(=N2)/C(=C\C3=CC(=CC=C3)C(F)(F)F)/C(=O)NCC4=CC=CO4 1 4.614 3 2 0.267818611035086 5873782 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CC(=C(S3)Br)Br 1 4.522 2 1 0.574913432110619 5873767 CC1=CC=CC=C1OCC2=NC3=CC=CC=C3C(=O)N2N/C=C/4\C=NN=C4C5=CC=C(C=C5)Br 1 4.61 5 2 0 -4.27021415324583 5873764 C1CC(N(C1)/C=C/C(=O)C(F)(F)F)C(=O)NC2=CC=CC=C2 1 2.371 2 2 -3.49443018341783 5873762 C1CC(N(C1)/C=C/C(=O)C(F)(F)F)C(=O)NC2=NC=CS2 1 1.368 3 2 0 -5.78964252978056 5873671 C1=CC(=CC(=C1)OC(=O)/C=C/C2=CC=CO2)C=O 1 2.884 0 4 -7.61682420630259 5873617 CC1=CC(=C(C(=C1)C)N/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=NC=CS4)C 1 4.182 3 2 -3.3585937167624 5873211 C1CC1NC2=NN/C(=C\3/C=NC4=CC=CC=C43)/CS2 1 1.954 4 0 0 -11.2856702544652 5873021 CC(=O)C1=CC(=CC=C1)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CO3 1 2.101 2 5 0 -16.27143192934 5872927 CC1=CC(=O)/C(=C/NNC2=CC(=CC=C2)Cl)/C(=O)O1 1 1.87 2 3 0 1.82876496705385 5872749 C1=CC=C(C=C1)/C=C/CC2=C(N(C=CC2=O)CCC3=CNC4=CC=CC=C43)O 1 4.925 2 2 0.328193235695279 5872672 C1=CC=C2C(=C1)NC(=N2)/C(=C\C3=CC=C(C=C3)C(F)(F)F)/C(=O)NCC4=CC=CO4 1 4.614 3 2 -0.681112184254123 5872412 CC\1=NN(C(=O)/C1=N\NC2=CC=C(C=C2)SC)C 1 1.789 4 1 0 -1.78153766537131 5872363 CC1CCCC(N1NC=C2C=CC(=O)C=C2)C 1 1.559 2 1 0 -1.86283374769321 5872358 C1=CC(=CN=C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.445 2 3 -2.76125207855082 5872355 C1=CC2=C(C(=O)N=C2C=C1)NNC(=O)CN3C=CC(=N3)C(F)(F)F 1 0.988 5 2 0 -10.5412295593197 5872316 CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4[N+](=O)[O-])/O 1 4.163 2 7 0 -8.99658253675892 5872168 CON/C=C(\C=NC1=C(C=C(C=C1)Cl)Cl)/C2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.739 3 1 8.03900177838629 5872241 C1=CC=C2C(=C1)C(=O)N=C(N2)/C=C/C3=CC=CC=N3 1 2.239 3 1 -3.96142242390467 5872235 C1=CC2=C(C=C1Br)/C(=C/NNC(=O)C(=O)N)/C=N2 1 -8.4e-002 4 2 0 -1.13823252114374 5872230 C1COCCN1C(=S)NNC2=C3C=C(C=CC3=NC2=O)Br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l)CNC(=O)/C=C/C2=CC=C(C=C2)OCCCF 1 4.2 1 2 -4.72398883036597 5869923 CCN(CC)C1=CC(=O)/C(=C/NNC(=O)C2=NC=CN=C2)/C=C1 1 -0.398 5 2 0 -8.17894968442218 5869886 CC1=C/C(=C\NNC(=O)CN2CCCC2)/C(=O)C=C1 1 0.256 3 2 0 -6.13189875780292 5869687 CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCN(CC4)C5=CC=CC=N5)C)C 1 5.321 6 1 0 -11.4091462215113 5869554 CCNC(=O)/C(=C\C=C\C1=CC=CC=C1)/NC(=O)C2=CC=C(O2)Br 1 2.774 2 3 -12.4644761103377 5869515 CC1=CC=C(C=C1)C(=O)/C=C/C2=CN(C3=CC=CC=C32)CC(CN4CCOCC4)O 1 4.003 2 3 1.47012275588128 5869218 C1=CC=C2C(=C1)C(=CN2)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O 1 2.57 3 5 0 -0.848282717821321 5869162 C1CC(CC=C1)/C=C\2/C3=C(C=CC(=C3)Br)NC2=O 1 3.707 1 1 -1.61738494704586 5869111 CC1C(=NNC1=O)C(=O)NN/C=C/2\C=CC(=O)C(=C2)OC 1 -1.187 4 4 0 -9.99520273591051 5907609 C1COCCN1CCCNC(=O)C(=O)NN/C=C/2\C=CC=CC2=O 1 -1.415 4 4 0 -13.7161724716992 5907494 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCCCN3C=CN=C3 1 1.68 4 3 0 -16.1240139805849 5907451 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NNC=C2C=C(C(=O)C(=C2)Br)Br 1 2.854 2 2 1.77299468466223 5907405 COCC\1=NNC(=O)/C1=C/NC2=C(C=C(C=C2)F)F 1 0.74 3 2 0 -10.6786266667406 5907341 C/C(=C\1/C=CC=CC1=O)/NNC(=O)C23CCC(C2(C)C)(C(=O)O3)C 1 1.434 2 4 0 -10.6778127999462 5907280 CN(C)CCCNC(=O)/C(=C\C1=CC=C(C=C1)OC)/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.074 4 5 0 -20.8641635942591 5907282 CC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)OC)C)O 1 4.49 1 4 3.7600068733762 5907172 COC1=CC(=CC(=C1OC)OC)C(=O)O/N=C(/C2=CC=C(C=C2)[N+](=O)[O-])\N 1 2.232 3 7 0 -2.67367267016547 5907053 CCOC1=CC=C(C=C1)N2C(/C(=C(/C3=CC=CC=C3)\O)/C(=O)C2=O)C4=CC=CC=C4[N+](=O)[O-] 1 4.179 2 6 0 -9.40240032093697 5907027 C#CCN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)/C=C/C3=CC=CC=C3)/C1=O 1 2.69 4 3 0 -14.4642831642525 5906978 CN1CCN(CC1)CCC(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 -0.704 5 4 0 -3.00728799378135 5906976 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C/3\C(=O)NC(=O)N(C3=O)C4=C(C=CC(=C4)OC)OC 1 0.77 5 6 0 -12.8827833705618 5868901 COC1=C(C=C(C=C1)Br)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCCC3)\C(=O)O 1 4.25 1 5 -10.5888715855286 5869010 COC1=C(C=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)OC 1 3.035 1 8 0 -16.2141819223565 5868600 COC1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)NC(=O)/C=C/C4=CC(=C(C=C4)OC)OC 1 4.602 4 4 0 -8.93321342789787 5906875 C1COC2=C(O1)C=CC(=C2)/C=C/C(=O)C3=CC=CC=C3 1 3.487 0 3 -1.77882577019341 5906809 COC1=C(C=C(C=C1)CCN2C(=O)/C(=C\NN3CCCCC3)/C(=O)NC2=O)OC 1 0.988 4 5 0 -9.70100666619619 5906790 CC1=C(NC(=C1C(=O)OC)C)C(=O)/C=C/C2=CC=C(C=C2)Cl 1 4.238 1 3 -2.91950905630572 5906723 C1=CC(=CC=C1C(=O)N)NN=C2C(=O)NC(=O)NC2=O 1 -0.345 5 4 0 -15.2391078640918 5906718 C1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Br)O 1 4.363 1 3 8.07274392812571 5906706 CC(=C)COC1=CC(=O)/C(=C\2/C(=CN=CN2)C3=CC=C(C=C3)Br)/C=C1 1 2.913 2 2 -5.45773086425621 5906691 CC1=CC(=NN1C(=O)/C=C/C2=CC=CS2)C 1 2.777 2 1 -6.36087758576434 5906680 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NNC(=S)NC2=CC=CC=C2 1 2.376 5 3 0 -13.9435589261074 5906572 COC1=CC=CC=C1C2=C3C(=CC(=N2)C(=O)NCC4CCCO4)C5=CC=CC=C5N3 1 4.098 3 3 -9.63134275979254 5906509 CN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)/C=C/C3=CC=CC=C3)/C1=O 1 1.498 4 3 0 -10.0104786181043 5906485 CC1=CC=C(C=C1)SCC(=O)O/N=C(/C2=CC=C(C=C2)OC)\N 1 3.25 2 3 1.87252774789397 5868305 CCC1=CC=C(C=C1)NC(=O)C2C3C2/C=C\CCCC3 1 4.162 1 1 -1.98801340892596 5868329 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NNC=C2C=C(C(=O)C(=C2)OC)OC 1 0.902 4 5 0 -9.02935151099447 5906329 CSC1=N/C(=C\NC2=CC=CC=C2Cl)/C(=O)N1CC3=CC(=CC=C3)Cl 1 4.662 3 1 -5.37136080901252 5906319 CC1=C(C=CO1)C(=O)NN/C(=C/2\C=CC=CC2=O)/C 1 0.769 2 3 0 -6.04972821869517 5868191 CC(C)C(C(=O)NC(=O)N)OC(=O)/C=C/C1=CC2=C(C=C1)OCO2 1 1.882 2 6 0 -8.82562206602572 5868164 CCCC(=O)NC1=CC(=O)/C(=C\2/NC3=C(O2)C=C(C(=C3)C)C)/C=C1 1 3.431 2 3 -11.75145218273 5868062 C1/C(=C\C2=CN=CC=C2)/C(=O)/C(=C/C3=CN=CC=C3)/C1 1 2.38 2 1 0.280892103251277 5867963 CCOC(=O)C1=C(/C(=C\2/CSC(=NN2)NC(C)COC)/N=C1C)C 1 1.094 4 3 0 -18.1189266237622 5867608 CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=CC=N2 1 3.792 3 0 -11.6684336940843 5867499 CCN(CC)C1=CC=C(C=C1)/C=C/C(=O)C2=CN=CC=C2 1 3.411 2 1 -5.62152653106484 5867332 C1CCCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN/C=C/4\C=C(C=CC4=O)Cl 1 1.224 9 3 0 -22.2188635968606 5867324 CCO/C(=C\1/C(=O)N=C(S1)C2=CC=C(C=C2)Cl)/O 1 3.263 1 3 1.03692762720035 5867321 CC1=CC(=CC=C1)NNC2=C3C=C(C=CC3=NC2=O)F 1 2.277 3 1 0.699713201027253 5867179 C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=CC=C3)/N 1 3.688 3 3 -9.65115919459428 5867030 CC(C1=CC=CC=C1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F 1 4.116 1 3 -5.821811447086 5866625 C=CCNC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2 1 2.506 3 4 0 -24.2980034273391 5866513 COC1=CC=C(C=C1)C(=O)/C=C/C2=CN(C3=CC=CC=C32)CC(CN4CCOCC4)O 1 3.5 2 4 1.05715654673714 5866467 C=CCNC(=O)CC1C(=O)N2C(=N1)C3=CC=CC=C3NC2=S 1 1.932 4 2 0 -17.6367138040661 5866333 C1=CC=C(C=C1)/C=C/C2=NN=C(O2)C3=CC=CS3 1 3.475 2 1 -1.68854131135964 5866263 C1=CSC(=C1)CC(=O)NNC=C2C=CC(=O)C=C2 1 0.995 2 2 0 -5.87634224378536 5866154 CC1CCCCN1C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3C=C2 1 3.328 2 3 -6.34875828574849 5866058 COC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5CCCO5 1 2.504 1 7 0 -12.2404353023709 5865796 C1C(=NC2=CC=CC=C2NC1=O)/C=C/C3=CN=CC=C3 1 1.85 3 1 0 -6.15872543297923 5865695 CCNC(=S)/N=C(/NC1=CC=CC=C1)\NC2=NC(=CC(=N2)C)C 1 3.313 6 0 -8.19429297446801 5865557 CN(C)C(CNC(=O)/C=C/C1=CC(=CC=C1)Cl)C2=CC=CC=C2 1 3.921 2 1 -2.50096036428983 5865414 COC1=CC2=C(C(=O)N=C2C=C1)NNC(=O)CC3=CC=CS3 1 0.791 3 3 0 -9.02834690748946 5865251 COC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCOCC4)OCC5=CC=CC=C5F 1 3.469 5 5 0 -28.024879909684 5865241 CC1=NN(C=C1/C=C/C(=O)C2=CC=C(C=C2)O)C 1 2.392 2 2 5.28979550233966 5865205 CC1=CC=C(C=C1)N/N=C/2\C(=NN(C2=O)C3=CC=CC=C3)CSC4=CC=CC=N4 1 4.756 5 1 -10.9911477888538 5865154 CC1=NC2=CC=CC=C2C(=O)N1N/C=C/3\C=CC(=O)C(=C3)OC 1 0.691 3 3 0 -4.99255540228236 5865130 CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)/C=C/C(=O)O 1 2.651 3 3 -7.87263335786165 5865129 CC1CC(CN(C1)C(=O)/C=C/C2=CC=C(O2)C)C 1 2.808 1 2 -5.97956152662804 5865032 C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NCC4=CC=CO4 1 2.123 5 3 0 -23.1622917890155 5865031 CC\1=NC2=CC=CC=C2/C1=C/NNC3=NC4=CC=CC=C4N3 1 1.947 5 0 0 2.16855113342947 5865017 COC1=CC(=C/C(=C\NNC(=O)C2=CC(=CN=C2)Br)/C1=O)[N+](=O)[O-] 1 3.4e-002 4 5 0 -2.69955665307367 5864980 CC1=C(C=CC(=C1OC)/C=C/2\C(=O)N(C(=O)N2)CC(=O)OC)OC 1 1.103 2 6 0 -6.17915403481717 5864806 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N=C(S2)N3CCC4=CC=CC=C4C3 1 4.017 2 4 -10.3507832493232 5864804 CCCCCCC1=CC2=C/C(=C(/N)\NNC(=O)C3=CC=NC=C3)/C(=O)OC2=CC1=O 1 2.098 4 4 0 -7.75244606332705 5864763 CC1CCCC(N1NC=C2C=C(C(=O)C(=C2)Br)Br)C 1 2.464 2 1 -0.625188369052958 5864754 C1=COC(=C1)C2C=C(N=C3N2NN=N3)C4=CC=C(C=C4)Br 1 3.624 5 1 -5.46656521724526 5864629 COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C3=CC=CC=C3C=C2)O)CN4CCOCC4 1 4.113 1 4 0.129968703307203 5864590 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN/C(=C\4/C=NC5=CC=CC=C54)/N3C 1 4.125 5 3 0 -26.8527406141439 5864398 COC1=CC(=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5=CC=CO5)OC 1 2.894 1 8 0 -9.92912917972972 5864175 C1=CC=C(C(=C1)/C=C/C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O)Cl 1 2.573 2 3 -6.53920399903679 5863736 C1CN(CCN1C2=CC=CC=N2)N/C=C/3\C=CC=CC3=O 1 0.905 4 1 0 -0.911948851132908 5863631 CC1=CC(=CC(=C1)N2C(=CC(=C2C)/C=C\3/C(=C(NC3=O)C)C(=O)OC)C)C 1 3.623 2 3 -10.9117756201946 5863540 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 3.943 3 5 0 -19.151771929167 5863539 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC 1 3.927 3 6 0 -18.309783068032 5863458 CCOC1=CC=C(C=C1)/C=C\2/C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4 1 5.343 0 3 0.120861217785356 5863446 CC1=CC\2=C(C=C1)N(C(=O)/C2=N\NC3=CC=C(C=C3)[N+](=O)[O-])C 1 3.116 4 3 0 -2.10492742511897 5863319 COC1=CC=C(C=C1)C2=C(C3=C(S2=O)C=C(C=C3)OC)SC4=CC=CC(=C4)C(F)(F)F 1 5.429 0 3 6.08438418173993 5863278 CC1=NN=C(C1=NNC2=CC=C(C=C2)Br)C 1 2.572 4 0 -2.02949042947316 5863244 CC1=CC=C(C=C1)CNC(=O)CC2C(=O)N3C(=N2)C4=CC=CC=C4NC3=S 1 3.385 4 2 -15.4146771317708 5863172 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)NN/C=C/3\C=CC(=O)C(=C3)OC 1 1.881 3 5 0 -6.78294180203726 5863068 CC(C)NC(=O)CC1C(=O)N2C(=N1)C3=CC=CC=C3NC2=S 1 2.042 4 2 -16.9263893357124 5863039 CCC1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=C(N(N=C2C)C3CCS(=O)(=O)C3)Cl 1 2.631 3 5 0 -16.4540443241349 5862967 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NCCCN3C=CN=C3 1 2.238 4 2 -17.1815745912251 5862903 C1=CC(=CC=C1/C=C/C(=O)NCCCN2C=CN=C2)Cl 1 1.974 3 1 0 -3.46723526281904 5862829 CCCCC/C(=C/1\C=NC2=CC=CC=C21)/NO 1 3.063 2 1 -2.44735391469637 5862746 CC1=C(C=CC(=C1)[N+](=O)[O-])N/C=C/C(=O)C2=C(C=C(C=C2)OC)OC 1 3.39 2 5 0 -3.67738595942954 5862616 CC1=CC(=C(C=C1)N/C(=N/S(=O)(=O)C2=CC=CS2)/C3=CC=CC=C3)C 1 4.785 2 2 -12.3637174474772 5862517 CC1=C(C(N2C(=O)CCSC2=N1)/C=C/C3=CC=CC=C3OC)C(=O)OCCOC 1 2.775 2 5 0 -23.0623704735432 5862282 CC1=NN(C(=C1/C=C/C(=O)C2=CC=C(C=C2)O)Cl)C3=CC=CC=C3 1 4.428 2 2 5.76392861665206 5862253 COC1=CC(=CNNC2=C(C=C(C=N2)C(F)(F)F)Cl)C=C(C1=O)OC 1 2.143 3 3 8.687496718358 5862206 COC1=CC=C/C(=C\NNC(=O)CNC(=O)CCC2=CC=CC=C2)/C1=O 1 0.245 3 4 0 -15.3342509507763 5862140 CS(=O)(=O)NC1=NC2=NC(=CC(N2N1)C3=CC=CC=C3)C4=CC=C(C=C4)Br 1 3.109 5 2 0 -4.0821199565644 5862066 C1CS(=O)(=O)CC1NC(=O)/C=C/C(=O)O 1 -0.875 1 5 0 -14.0473789889282 5862016 CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CC=CC=C3OC)C(=O)N 1 -0.247 5 3 0 -11.0051200166929 5861753 C1=CC=C2C(=C1)C=C(O2)/C=C/C(=O)C3=CC=CC=C3O 1 4.054 0 3 5.87299373673103 5861688 CCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(OC3=CC=CC=C3C2=O)O 1 3.982 0 5 -9.50682561147945e-002 5861418 COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4)OC 1 3.45 5 3 0 2.89383000876448 5861333 C1C2CN(CC1C3=CC=CC(=O)N3C2)/C=C\4/C(=O)OC(=N4)C5=CC=C(C=C5)Br 1 1.962 3 3 0 -7.73585646305097 5861253 CCN1C(=NC2=CC=CC=C2C1=O)/C=C/3\C4=CC=CC=C4N(C3=O)C 1 2.636 3 2 -3.66392170183285 5861116 COC(=O)/C=C/COC1=CC=CC=C1[N+](=O)[O-] 1 2.096 1 5 -5.84107607742788 5861001 CCOC(=O)N/N=C\1/C2=CC=CC=C2N(C1=O)C 1 1.298 3 3 0 -4.62017202254007 5860995 CN(C)CCCN/C=C/1\C(=O)NC(=O)N(C1=O)CCC2=CC=CC=C2 1 0.662 4 3 0 -9.05743655420925 5860971 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)/C=C/C3=CC4=C(C=C3)OCO4 1 2.134 3 6 0 -19.0244343717819 5860885 CC1=CC(=C(N1C2=CC=CC=C2F)C)/C=C/3\C(=O)C(=C(N3)C)C(=O)OC 1 2.799 2 3 -14.2613831863767 5860687 CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC=C(C=C4)C(C)(C)C 1 3.417 3 6 0 -20.4011592193829 5860626 C1=CC=C(C=C1)/C=C/C=C2C(=C(C(=C2Cl)Cl)Cl)Cl 1 4.824 0 0 8.2527701829713 5860596 CC1CCCCC1NC(=O)COC(=O)C2=C3CC/C(=C\C4=CC=CO4)/C3=NC5=CC=CC=C52 1 5.48 2 4 -12.5125480437353 5860594 CC1=C/C(=C/N(C)C)/C(=O)O1 1 0.338 1 2 0 -6.10337328756931 5860448 CCOC(=O)/C=C(/NC(=O)NC1=CC=CC=C1)\NN(C)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.091 5 3 0 1.16007296078321 5860423 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)/C=C/C3=CC=CC=C3 1 1.048 2 6 0 -8.71944685384417 5860245 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)/C=C/C2=C(C=CC(=C2)OC)OC)Cl 1 2.538 2 7 0 -11.8235909739666 5860225 COC1=CC(=C(C=C1)OC)/C=C/C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC 1 2.016 2 6 0 -9.53280462331118 5860224 COC1=C(C=C(C=C1)/C=C/C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)OC 1 2.016 2 6 0 -12.8740141774218 5860199 CC1=C(C=C(C=C1)Cl)N/C=C/2\CCCC2=O 1 3.261 1 1 -2.45861243844913 5860090 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)O)OC 1 2.509 2 6 0 -9.31998268507718 5859993 CCC(C)NC(=O)C1=CC=CC=C1NC(=O)/C(=C/C2=CC=C(C=C2)OC)/C3=CC=CC=C3 1 5.002 2 3 -16.9837734032556 5859859 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)/C=C/C3=CC(=CC=C3)F 1 2.404 1 5 -6.05770270073221 5859823 COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CC(=O)NNC=C4C=CC(=O)C=C4)OC 1 2.507 4 4 0 -9.21500465574183 5859672 CCCCN1C(=O)/C(=C(\C)/NCCC2=CNC3=CC=CC=C32)/C(=O)NC1=O 1 2.597 4 3 0 -12.4326544294657 5859671 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)/NNC(=O)NC3=CC=CC=C3 1 1.848 5 4 0 -8.45460815397147 5859617 C1CC2C(N(N=C2/C(=C/C3=CC=C(C=C3)F)/C1)C(=O)C4=CC=CC=N4)C5=CC=C(C=C5)F 1 5.556 3 1 -6.80601147498971 5859614 CC1(CC(=O)C(C(=O)C1)/C=[N+](\C)/[O-])C 1 -0.27 1 3 0 -4.70819130989356 5859583 COC1=CC(=CC(=C1OC)OC)/C=C(/C(=O)NC(C2=CC=CC=C2)C(=O)O)\NC(=O)C3=CC=CC=C3 1 3.146 2 7 0 -25.084923294255 5859537 COC1=CC=CC(=C1)/C=C/C(=O)C2=CC=CN2 1 3.07 1 2 1.05752152347969 5859530 COC1=CC=C(C=C1)C2C(/C(=C\3/C=NC4=CC=CC=C43)/NN2C(=O)CCl)O 1 1.826 3 3 0 -2.20365546753106 5859318 C1CC(OC1)CN2/C(=C/3\C=NC4=CC=CC=C43)/NN=C2SCC(=O)NC5=CC6=C(C=C5)OCCO6 1 2.896 5 4 0 -25.5877323670871 5859222 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C)C 1 4.263 2 3 -6.76924093213398 5859219 COC1=C/C(=C/N=NC(=C2C=CN(C=C2)O)O)/C=CC1=O 1 0.697 3 4 0 6.36563244914879e-002 5858944 C1CC(OC1)CNC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C5=CC(=CC=C5)Cl 1 4.779 3 2 -1.34352554080732 5858639 C1=CC(=CC=C1NNC2=C3C=C(C=CC3=NC2=O)Br)S(=O)(=O)N 1 1.039 4 3 0 -7.61754894376561 5858625 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)NC4=CC=CC=C4Cl 1 5.264 3 6 0 -8.59301055585833 5858462 CC(C)C(C(=O)O)N1C(=O)/C(=C/C2=CC=CN2C)/SC1=S 1 3.446 2 3 -10.6544379391208 5858378 CC1=CC(=CC=C1)NC2=NN/C(=C\3/C=NC4=CC=CC=C43)/CS2 1 3.527 4 0 -6.89575385112231 5858348 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NN/C=C/2\C=CC(=O)C(=C2)OC 1 1.214 4 4 0 -10.4252591715891 5857936 COC1=CC=CC(=C1OC)/C=C/C2=NN(C3=C2C=CC=CC3=O)C4=CC=C(C=C4)Br 1 5.987 2 3 0.917650341025753 5857910 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N=C(S2)N3CCCC(C3)C)O 1 3.735 2 3 -5.42478110882334 5857882 CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NNC=C3C=CC(=O)C=C3)C4CCCCC4 1 1.34 9 3 0 -22.3691672865994 5857778 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=C(C=CC(=C3)Cl)O)/C=N2 1 2.106 3 2 4.06859784748508 5857745 COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 2.129 3 5 0 -15.941488094625 5857566 CC1=CC=C(C=C1)N2C(=O)/C(=C\NNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)/C(=O)NC2=S 1 1.021 8 4 0 -8.43058192153286 5857541 CN1C=NN=C1SC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)OC)[N+](=O)[O-] 1 3.029 6 4 0 -21.6818373016997 5857231 CCC1C(=NN2C(=C(NC2=NC1=O)C3=CC=CC=C3)C4=CC=CC=C4)C 1 3.223 4 1 -9.07732142411539 5857186 CCN(CC)CCCN1C(/C(=C(/C2=C(N=C3N2C=CC=C3)C)\O)/C(=O)C1=O)C4=CC=CS4 1 2.573 4 3 0 -11.7140100473883 5857014 CCCCN1C(=O)/C(=C(\C)/NCCN2CCOCC2)/C(=O)NC1=O 1 0.225 4 4 0 -12.272570210926 5856986 CN(C)C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CO2 1 3.259 1 2 -1.19698452127767 5856713 CCC1=NN2C(=N)/C(=C/C3=C(N(C(=C3)C)CC4=CC=CC=C4)C)/C(=O)N=C2S1 1 4.272 5 1 -20.7122705259637 5856637 COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=CC=C3F)O 1 2.473 2 4 -3.12219955108811 5856633 CC1=C(C=C(C=C1)S(=O)(=O)NN/C=C/2\C=CC=CC2=O)[N+](=O)[O-] 1 1.09 3 5 0 -9.19275788699979 5856597 CC1=CC=CC=C1OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N 1 3.43 3 2 -6.87701696469 5856490 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=C(C=C5)OC)/O 1 3.228 2 5 0 -7.23781025430811 5856349 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NNC(=O)C3=CC=CC=C3O)OC 1 1.766 3 7 0 -12.0083813491667 5856002 C1=CC(=CC=C1C2C(=C(N=C3N2NC=N3)N)C#N)[N+](=O)[O-] 1 0.477 7 2 0 -9.1477739419785 5855939 C/C(=C\1/C=CC=CC1=O)/NNC(=O)C2CC2 1 0.614 2 2 0 -8.1800425048842 5855622 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NN/C=C/2\C=CC(=O)C(=C2O)O 1 0.451 4 5 0 -12.2943866465882 5855603 C1CC(OC1)CN2C(=O)/C(=C/C3=CC=CO3)/SC2=S 1 2.801 1 3 -11.0644586655798 5855545 CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/NNC(=O)C3=CC(=CC=C3)Cl 1 3.787 3 3 -8.14610571254219 5855514 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)CNS(=O)(=O)/C=C/C3=CC=CC=C3 1 1.725 3 7 0 -15.4489440036786 5855389 CCN\1C2=C(C=C/C1=C\3/C(=O)N(C(=S)N3C)C)C=C(C=C2)OC 1 2.985 3 2 -1.55117113901317 5855136 C1=CC(=CC(=C1)Cl)NNC2=C(N=NC2=O)N 1 1.872 5 1 0 -0.507018655286135 5854953 CN(C)C(=C(C#N)C#N)/C=C/NC1=CC=C(C=C1)[N+](=O)[O-] 1 1.49 5 2 0 -6.70843582933684 5854745 COC1=CC=C(C=C1)N/C=C(\C2C3=CC=CC=C3C(=O)O2)/[N+](=O)[O-] 1 2.585 2 5 0 -2.27815542853718 5854695 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)/NNC3=CC=CC=C3 1 2.682 4 4 0 -4.8125596110554 5854682 C/C(=C\1/C=C(C=C(C1=O)Cl)Cl)/NNC(=O)N 1 0.383 3 2 0 -2.20905090644398 5854588 C1=CC=C(C=C1)/C=C/C2=NN=C(O2)SCC3=CC=CC=C3Cl 1 4.928 2 1 -7.52542269171718 5854533 CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NCC2CCCO2 1 0.57 3 4 0 -18.7756655197051 5854374 C1=CC(=CC(=C1)Br)/C=C/C(=O)N2C(=O)C3=C(C2=O)C(=CC=C3)N 1 2.78 2 3 -1.59799085820437 5854262 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NCC2CCCCC2)O 1 3.143 1 5 -7.9470470609165 5854188 C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1CC2=CC=CC=C2)/N 1 2.781 2 3 -12.7510267007234 5854182 CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)/N=C(\N)/[O-] 1 1.973 4 2 0 -0.762151406031529 5853888 CC1=CC(=NN1CCC(=O)NNC2=C3C=C(C=CC3=NC2=O)Br)C 1 0.746 5 2 0 -15.7237822259858 5853737 C1=CC=C(C=C1)C(=O)N=N/C=C\2/C(=NC(=O)S2)N3C=CC(=C4C=CNC=C4)C=C3 1 1.844 5 2 0 -9.07238939991501 5853685 C1=CC2=C(C(=O)N=C2C=C1)NNC3=C(C(=C(C(=C3F)F)Cl)F)F 1 3.367 3 1 -0.994184236585082 5853681 C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O 1 2.64 1 6 0 -10.8875224838318 5853489 CC(C)CCN1C2=CC=CC=C2/C(=N/NC(=O)CN3C=CC(=N3)C(F)(F)F)/C1=O 1 3.423 5 2 0 -10.9591984644998 5853451 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC3=C4C=CC=CC4=NC3=O)Cl 1 2.267 4 4 0 -10.7863816381725 5853416 CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C)C3=CC=C(C=C3)F)/O 1 3.067 1 3 -2.5115151806426 5852959 C1=COC(=C1)C(=O)/C=C/C2=C(C=CC(=C2)Br)O 1 3.603 0 3 8.90947424144127 5852769 CC1CCN(CC1)C(=O)C2=CC3=C(C=C2)S/C(=C\C4=CC=CC=C4)/C(=O)N3 1 3.658 2 2 -9.92976156244419 5852707 CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC=C(C=C5)C(C)C)/O 1 3.832 2 5 0 -10.1135799850929 5852660 CC(C1=CC=CC=C1)N2C(=O)/C(=C/C3=CC=NC=C3)/SC2=S 1 3.857 2 1 -4.68097071218648 5852649 C1COC2=C(O1)C=CC(=C2)C(=O)NN/C=C\3/C4=CC=CC=C4N=C3Cl 1 2.024 3 3 -7.42890640450899 5852646 CC1=CC(=CC=C1)N/C(=C\2/C(=NON2)N)/N=O 1 1.274 5 2 0 0.280731760215939 5852630 C1=COC(=C1)C2C=C(N=C3N2NN=N3)C4=CC=C(C=C4)F 1 3.081 5 1 -5.12002713726539 5852565 COC1=CC=CC(=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2 1 3.915 1 3 -2.33250912144008 5852329 C1=CC(=CN=C1)/C=C/C(=O)C2=CC=C(C=C2)F 1 2.756 1 1 1.61604764039289 5852278 CC1=C(SC(=N1)NN/C=C/2\C(=O)C=CC3=CC=CC=C32)C(=O)C 1 1.496 3 2 0 -1.8591770873618 5852048 C1CCCC(CCC1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.788 2 6 0 -24.7859426247373 5851912 COCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\O)/C(=O)C1=O)C4=CC(=CC=C4)OC 1 1.033 2 8 0 -22.2946153862705 5851898 CC1=CC=C(C=C1)/C=C/C(=O)NN2CCN(CC2)C 1 1.663 3 1 0 -1.02090708010977 5851718 CCO/C(=C/1\C(N(C(=O)C1=O)CC2=CN=CC=C2)C3=CC=C(C=C3)OC)/O 1 2.058 2 5 0 -7.09571223358668 5851630 C1=CC=C(C(=C1)NC(=O)C(=O)NN/C=C/2\C=C(C=CC2=O)Cl)OC(C(F)F)(F)F 1 2.122 3 4 0 -9.13596560095384 5851534 CN1C=CC=C1/C=C/2\CC3=CC=CC=C3C2=O 1 3.397 1 1 -0.231847564305506 5851399 CC1=C(C(=NC(=N1)C)NN/C=C/2\C=CC=CC2=O)CC=C 1 1.141 4 1 0 -7.23391095764231 5851288 CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=NN(C=C2Cl)C 1 2.481 4 3 0 5.40630081916479 5851234 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)OC(F)F)OC 1 5.465 1 5 -2.29122098843123 5851140 CC(C)(C)C(=O)NC1=NN=C(S1)/C=C/C2=CC=C(C=C2)OC 1 3.347 3 2 -11.7587745136391 5851070 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC(C)C(C)C)Cl)CC2=CC=CC=C2 1 3.757 3 3 -10.8361990119458 5851045 CN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC(=CC=C3)F)OC)/NC1=S 1 3.792 2 3 -6.23703294007748 5850978 C/C(=C\C(=O)C1=C(C=C(C=C1)Cl)Cl)/N(C)C 1 3.567 1 1 3.10213237624824 5850912 CC1=CC2=C(C=C1)N=C(C2=O)NNC3=CC=CC=C3OC 1 2.999 3 2 -0.717484328903677 5850801 CC(C)C1=CC2=C(C(=O)N=C2C=C1)NNC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl 1 3.422 4 4 0 -6.93343294636604 5850390 C1C2CN(CC1C3=CC=CC(=O)N3C2)/C=C\4/C(=O)OC(=N4)C5=CC=C(C=C5)Cl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r)Br)Cl 1 1.835 4 1 0 -0.363934732570478 5848861 COCCCNC=C1C(=O)NC(=S)NC1=O 1 -0.819 3 3 0 -12.3706199117063 5848738 COC1=CC(=CNNC(=O)CC2=CSC(=N2)N3CCOCC3)C=C(C1=O)OC 1 -0.927 4 5 0 -4.65368188896332 5848434 CC1=CC=C(C=C1)C2=CC(N3C(=N2)N=NN3)C4=CC=CS4 1 3.92 5 0 -5.16230123035193 5848334 CC1=CC=CN2C1=NC(=C2/C(=C\3/C(N(C(=O)C3=O)CCCN(C)C)C4=CC=CS4)/O)C 1 2.361 4 3 0 -12.6639512755393 5848205 C1=CC=C2C(=C1)/C(=C/NNC(=O)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/C=N2 1 0.638 5 4 0 -11.2883595834136 5848136 CC1=CSC(=NC)N1NC=C2C=C(C(=O)C(=C2)Br)Br 1 1.65 3 1 0 -3.47884958700142 5847847 CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)OC(C)C)\O)/C(=O)C1=O)C3=CC=CS3 1 3.769 2 4 -10.9032762020126 5847550 C1C(N(NC1=C2C=CC(=O)C=C2)C(=O)C3=CC=CS3)C4=CC=CC=C4 1 2.824 2 2 -6.46737301772902 5847435 CC1=CC(=NC(=N1)C(=O)NN/C=C/2\C=CC(=O)C(=C2)OC)C 1 -0.418 4 3 0 -3.33028758449973 5847352 CC1=CC(=C(C=C1)N/C=C/2\C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3Cl)O 1 4.684 2 4 -1.0637816067275 5847203 CSC1=CC=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)O 1 3.373 2 3 -3.17336887038492 5847187 C/C(=C\1/C=CC=CC1=O)/NNC2=CC(=CC=C2)[N+](=O)[O-] 1 2.18 3 3 -3.86070690016532 5847175 C/C=C/CN1C=CC=C(C1=O)C(=O)NC2=CC=C(C=C2)OC 1 1.629 2 3 0 -8.68883370979798 5846981 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C3CCC/C(=C\C4=CC(=CC=C4)[N+](=O)[O-])/C3=NC5=CC=CC=C52 1 3.971 3 7 0 -19.5961755274108 5846743 CN(C)/C=C/1\C(=O)N(CS1(=O)=O)C2=CC(=C(C=C2)Cl)Cl 1 1.67 2 3 0 -3.09365932757281 5846704 CCN(CC)CCCNC1=C(N=C(O1)/C=C/C2=CC=CC=C2)C#N 1 3.259 4 1 -4.25196862847041 5846538 CC1=CC=CC=C1OC2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.08 6 4 0 -28.0785849105924 5846425 CCN\1C=CC=C/C1=C\C=C\2/C(=O)N(C(=S)S2)CC 1 2.621 2 1 -5.68874187105285 5846306 C1=CSC(=C1)/C=C(\C(=O)O)/SC2=NN=C(O2)C3=CC=C(C=C3)F 1 3.749 2 3 -3.04503848432422 5846239 CC1=C(C(=NN1C(C)C(=O)NN/C(=C/2\C=CC=CC2=O)/C)C)[N+](=O)[O-] 1 0.828 5 4 0 -7.11281007371744 5846194 CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2Br)OC(C)C)OC)CCC#N 1 2.878 3 3 -10.8909878378682 5846147 CN1C(=O)C(=C(COC2=CC=CC=C2)N)C(=O)N(C1=O)C 1 0.128 3 4 0 -8.4246368990548 5845871 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCCC(C2)C(=O)N 1 2.508 3 3 -7.6913542230083 5845751 CC1CC1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=C(C=CC(=C3)Cl)Cl 1 4.8 2 2 -15.3166076609948 5845692 CCCCNC(=O)/C=C\1/C(=O)NC2=CC=CC=C2S1 1 2.093 2 2 -9.61373466387504 5845648 COC1=CC(=C(C=C1)C\2=NN=C/C2=C\NNC(=O)C3=CC(=CC=C3)OC)OC 1 1.829 4 4 0 -5.878051251343 5845603 CC1=C(C(=O)N=C(N1)/C(=C/C2=CC=C(C=C2)OC)/C)C3=CC=CC=C3 1 3.807 2 2 -4.37843619906671 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CCOC(=O)CC1C(=O)NCCN1C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CC(C)C 1 2.643 5 5 0 -37.7635942042846 5835930 CN(C)CCN/C=C/1\C(=O)NC(=S)N(C1=O)CC2=CC3=C(C=C2)OCO3 1 0.946 4 4 0 -6.58274972616433 5835473 CCNC(=S)/N=C(/NC1=CC=C(C=C1)OC)\NC2=NC(=CC(=N2)C)C 1 3.296 6 1 0 -8.4506050452388 5835165 CC(C)(C)NC(=O)CCN(C1=NS(=O)(=O)C2=CC=CC=C21)N/C=C/3\C=CC=CC3=O 1 1.034 4 4 0 -16.2132440833096 5835093 C1=CC=C2C(=C1)/C(=C/NNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)NC4=CC=C(C=C4)Cl)/C=N2 1 3.495 5 4 0 0.934854918220092 5835069 C1COCCN1C(=O)CC2=NN3C(=N)/C(=C/C4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)/C(=O)N=C3S2 1 2.548 5 6 0 -18.452415320068 5834988 CC1=CC(=C(N1C)C)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)Br 1 3.748 1 3 -3.46023362188701 5834869 CC1=NN(C(=C1)NC(=O)/C=C/C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4N3 1 4.437 5 1 1.1271268845622 5834768 CC(=O)N/N=C\1/C2=CC=CC=C2C(=N1)N 1 0.14 4 1 0 -3.31150379812175 5834748 CN(C)/C=C(/C1=NN=NN1C2=CC=CC=C2)\C(=O)C3=C(C=C(C=C3)F)F 1 2.907 5 1 -5.02136703737292 5834698 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C1=CC2=C(C(=C1)O)N=C(C=C2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 4.083 2 3 2.83606720777696 5833679 C1C(N(CC2=CC=CC=C21)S(=O)(=O)/C=C/C3=CC=CC=C3)C(=O)O 1 2.164 1 4 -3.71574639364885 5833639 CC1=CC=C(C=C1)N/C(=N\S(=O)(=O)C2=CC=CC=C2)/NC3=NC(=CC(=N3)C)C 1 3.728 5 2 0 -9.9254024686072 5833600 COC1=CC(=CC(=C1)C(=O)O/N=C(/C2=CC=NC=C2)\N)OC 1 1.203 3 4 0 -0.284178240029704 5833591 C1=CSC(=C1)CC(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 3.123 2 2 -8.13090582261012e-002 5833390 C1CCC(=CC1)CCN2C(=O)/C(=C/NCC3=CN=CC=C3)/C(=O)NC2=S 1 2.216 4 2 -11.6601469193408 5833488 CCOC(=O)N/N=C\1/C2=CC=CC=C2C3=NC4=NON=C4N=C31 1 1.861 6 3 0 -10.9403116035366 5833459 C/C(=C(/C#N)\C(=O)CSC1=NN(C(=S)S1)C2=CC=C(C=C2)Cl)/N 1 4.721 4 1 -10.9141329311292 5833335 C1=CC(=O)C=CC1=CNNC(=O)CCC(=O)NC2=CC=C(C=C2)F 1 0.548 3 3 0 -5.96752075594072 5833280 CC1=C(SC=C1)C2N=C3C=CC=CC3=C4N2C5=CC=CC=C5N4 1 4.996 3 0 -3.91971306869118 5833054 C1=CC=C(C=C1)NC(=O)O/N=C(/C2=CC=NO2)\N 1 1.04 4 3 0 8.79533368317242e-003 5833048 CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CN=CC=C2 1 2.713 2 1 -3.32814066980625 5832779 CC(C1=CC=CC=C1)OC2=C(C=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)CC(=O)N5CCOCC5)OC 1 3.641 5 5 0 -27.9552016710795 5832549 COC1=CC=C(C=C1)/C(=C/C(=O)C(=O)NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)/O 1 2.59 2 6 0 -9.56272405051338 5832541 COC1=CC=CC(=C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.667 2 6 0 -7.55709102457505 5832405 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 2.461 3 7 0 -21.7607059883423 5832328 CC1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=C(C=C2)Br)/NC3=CC=CC=C3C 1 5.747 2 2 -10.558767861957 5832237 COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)/C=C/C4=CC=CC=C4 1 5.069 2 3 -2.68968781661384 5832185 CC1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)N4CCN(CC4)C5=CC=CC=N5)C 1 3.075 6 3 0 -16.0755150644246 5832093 CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CC=CC=C3F)C(=O)N 1 -2.6e-002 5 2 0 -12.1929605916419 5831999 C1=CC(=CC=C1N/C(=C/[N+](=O)[O-])/NN)Cl 1 1.258 4 2 0 1.64313303024967 5831962 C1=CC=C(C=C1)C(=O)NCCCCCC(=O)NN/C=C/2\C=CC=CC2=O 1 1.548 3 3 0 -17.3484277452028 5831921 C\1=CC(=O)C(=O)C(=O)/C1=C/NNC2=CC=C(NN2)Cl 1 -0.681 4 3 0 -0.756990169999377 5831796 CC1=C(SC(=N1)N2C(/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C2=O)C4=CC=CO4)C(=O)OC 1 2.651 2 7 0 -13.4278556065969 5831714 CCCOC1=CC(=O)/C(=C/NNC(=S)NC2=CC=CC=C2[N+](=O)[O-])/C=C1 1 2.864 4 4 0 -6.63649546040226 5831389 CC1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5=CN=CC=C5 1 3.081 2 5 0 -9.19302835680101 5831461 CN1C(=O)/C(=C/C2=CC=C(C=C2)N3C=NC=N3)/SC1=O 1 1.69 4 2 0 -7.52978395320052 5831178 COC1=CC(=C(C=C1)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)OC 1 3.173 3 5 0 -12.6749157965671 5831078 CC(=O)NC1=CC=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCCO3 1 2.608 1 4 -6.55903737495052 5830835 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-])O 1 1.678 3 5 0 -10.0959934234327 5830657 C1C/C(=C\C2=CC=C(C=C2)OC(F)F)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O 1 5.883 1 3 1.75262858156363 5830574 CN1CCN(CC1)C(=O)/C=C/C2=C(C=CC=C2Cl)F 1 2.539 2 1 -3.36496822471174 5830430 COC1=CC=C(C=C1)C2CC2/C(=C\3/C=CC=CN3)/N=O 1 2.144 2 2 -4.91117030045564 5830413 C1=CC=C(C(=C1)C2=N/C(=C\NC3=NC=C(C=C3)Br)/C(=O)O2)Br 1 3.067 3 2 -8.83616776868508 5830244 CCOC(=O)C1=C(N/C(=C/C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C)/C1=O)C 1 3.148 2 3 -13.5677518893587 5830031 C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC(F)F 1 2.088 2 6 0 -17.0022000478093 5830006 CC1=CC(=NN1CCC(=O)NNC2=C3C=CC=CC3=NC2=O)C 1 0.293 5 2 0 -17.0152040233094 5829947 CC1=C(C(=O)NN1)CC(=O)NNC(=C2C=CC(=O)C=C2)C 1 -1.085 4 3 0 -9.82042983156915 5829874 CC1=CC(=NC=C1)N2C(=CC(=C2C)/C=C/3\C(=O)NC(=S)N(C3=O)C)C 1 3.011 4 2 -3.54104209202878 5829864 CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C)Cl)OCC2=CC(=CC=C2)Br 1 4.064 1 5 -11.9502902509571 5829834 CCOC(=O)C1=CC=C(C=C1)NN/C=C/2\C=C(C=C(C2=O)[N+](=O)[O-])Br 1 2.171 3 5 0 -4.51723939387426 5829640 CCN(CC)C1=CC(=O)/C(=C/NC2=CC(=CC(=C2)C)C)/C=C1 1 3.54 2 1 -3.79767576083596 5829546 COC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)NS(=O)(=O)C)C4=CC=C(C=C4)F 1 1.895 5 3 0 -1.66058583544998 5829511 CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C/NNC(=O)C4COC5=CC=CC=C5O4)/C2=O 1 2.611 3 7 0 -10.2543252603122 5829496 C1CCC2C(C1)C2C(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 0.887 3 4 0 -3.96838326043333 5829459 CN(C)C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Br 1 4.612 1 1 -0.16705086033016 5829324 COC1=CC=C/C(=C\NN2C(=NNC2=S)C3CCCCC3)/C1=O 1 2.22 4 2 -6.12064400594482 5829079 C1=CC=C(C=C1)/C=C/C(=O)NC2=NC(=CS2)C3=CC=NC=C3 1 2.875 3 1 0.421034471237173 5829073 CC1CNC(=C2C1=C3C=CC=CC3=N2)C 1 1.292 2 0 0 -9.85059386322327 5824610 CN(C)CCCNC1=C(N=C(O1)/C=C/C2=CC=CC=C2)C#N 1 2.561 4 1 -2.69037538770362 5824575 C1COCCN1C(=O)CC2=NN3C(=N)/C(=C/C4=CC=C(C=C4)OCC5=CC=CC=C5F)/C(=O)N=C3S2 1 3.486 5 4 0 -23.6528006179512 5824522 C1=CC=C(C=C1)N(C2=CC=CC=C2)N/C=C/3\C=CC(=O)C(=C3O)O 1 2.479 2 3 -2.64334303914616 5824309 COC1=CC(=O)/C(=C/NNC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)/C=C1 1 2.264 5 3 0 5.02908432189416e-002 5824220 C1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=C(C=C2)Cl)/NNC(=O)C3=CC(=CC=C3)Cl 1 4.612 3 3 -7.72818034589695 5823875 CC1=C2C(C3=C(CCCC3=O)N=C2N(N1)C4=CC=CC=N4)C5=CC=CC=N5 1 1.684 5 1 0 -12.4165628543669 5823629 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)F)N 1 0.915 3 5 0 -11.4316548506603 5823841 COC1=C(C=C(C=C1)NC(=O)COC(=O)/C=C/C(=O)OCC(=O)NC2=CC(=C(C=C2)OC)Cl)Cl 1 3.059 2 8 0 -6.66570865960966 5823724 CN1C2=CC=CC=C2/C(=N/NC(=O)CN3C4=CC=CC=C4N=C3C(F)(F)F)/C1=O 1 2.892 5 2 0 -5.06063620643236 5823572 C1CSC(=N1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN/C=C/4\C=C(C=CC4=O)Br 1 1.474 9 3 0 -30.5020165052583 5823524 CC(=O)N1CCN(CC1)CCN/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC 1 0.372 5 4 0 -10.0161078451877 5823421 C1=CC=C2C(=C1)C=CC(=N2)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)C(=O)O 1 3.791 2 5 0 -4.41458907905067 5823347 CC1=CC=C(C=C1)/C=C/C(=O)C2=NC3=CC=CC=C3N2 1 4.11 2 1 3.99541113768976 5823313 C/C(=C/1\C(=O)C=CC=C1)/NN/C(=C\2/C(=O)C=CC=C2)/C 1 1.169 2 2 0 -3.43203846473576 5823266 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C(=C\C3=CN=CC=C3)/NC(=O)C4=CC=CC=C4Br 1 3.79 4 2 -20.9890408710715 5823243 COC1=C(C=C(C=C1)Br)/C=C/C(=O)NCC(=O)O 1 1.719 1 4 0 -6.70850156011264 5823241 COC1=C(C=C(C=C1)Br)/C=C/C(=O)NCC(=O)OC 1 1.945 1 4 0 -8.35149012455124 5823222 CC1=CN2C(=C(C(=O)N=C2S1)/C=C/3\C=NC4=CC=CC=C43)N 1 1.741 4 1 0 -5.44411367044001 5823140 CN(C)/C=C/C(=C\C(=O)C(F)(F)F)/NC1=CC=C(C=C1)C(F)(F)F 1 3.638 2 1 1.4317481859811 5823126 C=CCOC1=CC(=O)/C(=C/NC2=CC=C(C=C2)Cl)/C=C1 1 3.068 1 2 -5.22053729491006 5823086 CN(C)S(=O)(=O)C1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=NC=C4)/O 1 0.231 4 6 0 -14.024474755348 5822919 CC1=C(/C(=C/2\C=CC(=CC2=O)OC)/N=C(N1)N)C3=CC=C(C=C3)Cl 1 2.148 3 2 -4.7006991574345 5822834 CC(C(=O)C1=CC=CC=C1)OC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 3.844 0 6 -8.24777496617344 5822531 C1CCCC2(CC1)N=C(N=C3N2C4=CC=CC=C4N3)N 1 2.112 5 0 -0.99870750448883 5822511 COC1=CC=C(C=C1)/C(=N/OC(=O)OC2=CC=CC=C2)/N 1 2.926 2 4 1.67128344705595 5822437 CCN1/C(=C/2\C=NC3=CC=CC=C32)/NN=C1SCC(=O)NC4=CC5=C(C=C4)OCCO5 1 2.886 5 3 0 -19.5325169938872 5822366 CCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5=CN=CC=C5)OCC 1 3.259 2 7 0 -15.9600361174193 5822329 C1COCCN1C2=CC=C(C=C2)C(=O)/C=C/C3=CC(=CC=C3)F 1 3.757 1 2 3.34819799526329 5822301 CC1=C(C=NN1C2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CCN(C)C)C4=CC=C(C=C4)C(C)C)/O 1 4.081 4 3 0 -5.14988440308497 5822166 CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCOCC3)OC4=CC=C(C=C4)OC 1 2.669 1 6 0 4.77720453447994 5821882 CC1=C(N(N=N1)C2=NON=C2N)C(=O)NN/C=C/3\C=CC(=O)C(=C3)OC 1 -0.837 8 4 0 -18.5271452987813 5821835 C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O 1 4.268 3 5 0 -10.3141124797245 5821785 CC1=C(C=C(C=C1)/C(=C(/C(=S)NC2=CC(=CC=C2)OC)\[N+]3=CC=CC=C3)/[O-])[N+](=O)[O-] 1 4.462 3 4 0 -5.73568645238995 5821760 COC1=CC=C(C=C1)CNC(=S)NN/C=C\2/C=CC(=O)C(=C2)OC 1 1.81 3 3 0 -5.74938681431677 5821715 C1CC(=O)N2C1S/C(=C/NC3=CC=C(C=C3)C(F)(F)F)/C2=O 1 2.04 2 2 -6.98010750129203 5821625 C1=CC=C(C=C1)CNC(=O)CCC(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 1.026 4 2 0 -12.5862503863876 5821274 CC1=C2C(C3=C(C4=CC=CC=C4C3=O)N=C2N(N1)C5=CC=CC=N5)C6=CC=C(C=C6)Br 1 4.081 4 1 -7.75908706311152 5820928 CC1CCCC(N1C(=O)CN2C=C(C3=CC=CC=C32)/C=C/4\C5=CC=CC=C5NC4=O)C 1 4.168 3 2 -11.5742618823553 5820835 COC1=C(C=C(C=C1)CNC(=O)/C=C/C2=CC=C(C=C2)OCCCF)OC 1 3.503 1 4 -11.4905711247639 5820832 COCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)\O)/C(=O)C1=O)C4=CC=C(C=C4)OC 1 2.263 2 7 0 -21.0744304705211 5820766 C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)Cl)C(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl 1 4.796 1 3 -6.95114613749087 5820724 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)Cl 1 1.653 2 1 0 -7.47695726868306 5820681 C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)Br)CCC(=O)O)/NC2=S 1 4.687 4 3 0 -5.93764212566367 5820389 C1=CC=C2C(=C1)C(=O)N(/C(=C/C=C/3\C=NC4=CC=CC=C43)/N2)C5=CC=C(C=C5)[N+](=O)[O-] 1 4.557 4 3 0 -4.58992426097306 5820369 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NNC(=C3C=CC(=O)C=C3)C 1 0.932 4 4 0 -19.1160821729621 5820077 C1CCN(CC1)N/C=C/2\C=CC(=O)C(=C2O)O 1 -0.271 2 3 0 -2.98323975025998 5819978 COCCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)\O)/C(=O)C1=O)C4=CC=C(C=C4)OC 1 2.325 2 7 0 -22.054239151864 5819759 C1=CC(=CN=C1)/C=C/C(=O)C2=C(C=CC(=C2)F)O 1 2.514 1 2 4.57775990708465 5819517 C1=CC2=C3C(=C1)/C(=N/NC(=O)C4=CC=C(C=C4)O)/C(=O)C3=CC=C2 1 3.05 2 3 0.113266925722731 5819452 CC1=CC(=NN1CC(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-])C 1 -0.322 5 4 0 -13.8085539196457 5819229 C1=CC=C(C(=C1)C(=O)NCCCCCC(=O)NNC2=C3C=CC=CC3=NC2=O)Br 1 2.405 4 3 0 -18.3202713821161 5818839 CN1C2=C(C=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)S/C(=C/C5=CC=CC=C5F)/C1=O 1 4.389 3 2 -2.53422898646618 5818829 CCNC1=NN/C(=C\2/C=NC3=CC=CC=C32)/CS1 1 1.813 4 0 0 -11.0078311229636 5818821 CC(C)CSC1=NSC2=NC(=O)/C(=C\C3=CC=CS3)/C(=N)N21 1 4.777 4 1 -12.469038093267 5818870 CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=CC=C5F)/O 1 3.45 2 4 -9.17657559059217 5818848 CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCOCC3)OC4=CC=CC=C4OC 1 2.669 1 6 0 3.46697493567179 5818594 CC1=C(C(N2C(=N1)N=CN2)C3=CC=CS3)C(=O)OCC=C 1 1.109 4 2 0 -21.6974912820172 5818180 CCCCC(=O)NN/C=C/1\C(=O)NC(=O)N(C1=O)CCC2=CC(=C(C=C2)OC)OC 1 1.106 4 6 0 -14.9632320343255 5818105 C1=COC(=C1)C2=CSC(=N2)/C(=C/C3=CC=C(C=C3)Cl)/C#N 1 4.524 2 1 -7.29389404943757 5818021 COC1=CC=C(C=C1)/C=C/C(=O)C2=NC3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)OC 1 5.053 2 4 -3.17564994473463 5818015 CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=C(C=C3)Cl)/C(=C/C(=O)C)/O 1 2.241 3 3 1.36586811118433 5817948 COC1=CC(=CNNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C=C(C1=O)OC 1 -0.813 3 7 0 -18.0585234061669 5817814 C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 2.517 4 5 0 -14.8980908740739 5817788 COC1=CC=C(C=C1)N2/C(=C/3\C=NC4=CC=CC=C43)/NN=C2SCC(=O)N5CCC6=CC=CC=C65 1 4.592 5 2 0 -19.7305346207325 5817749 CC(C)(C)NC(=O)/C(=C\C1=CC=C(C=C1)OC)/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.804 3 5 0 -22.0234403139084 5817573 CN(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)/C=C/C3=CC=CO3 1 2.36 2 4 -14.0840825887563 5817542 COC1=CC=CC(=C1)C(=O)NC2=CC(=O)/C(=C\3/NC4=CC=CC=C4O3)/C=C2 1 2.983 2 4 -8.6204527733729 5817505 C1=CC=C(C=C1)SC2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3 1 5.215 3 1 2.09782426864957 5817124 C1=CC=C(C(=C1)C(=O)NNC2=C3C=CC=CC3=NC2=O)NS(=O)(=O)C4=CC=CS4 1 1.39 4 4 0 -12.9968287442605 5817112 C1=CC=C(C(=C1)/C=C\2/C(=O)N=C(S2)N=C(N)N)N3C=CC=N3 1 1.411 6 1 0 -0.398934199795916 5817082 C1=CC=C(C(=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)F)SC(F)(F)F 1 6.689 3 0 -6.32143256092365 5817081 CC(=O)N1CCN(CC1)CCN/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F 1 0.593 5 3 0 -8.89126461057828 5816997 COC1=CC=CC(=C1)N2/C(=C/3\C=NC4=CC=CC=C43)/NN=C2SCC(=O)N5CCC6=CC=CC=C65 1 4.592 5 2 0 -19.1414737462999 5816637 CN(C)C1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)O)[N+](=O)[O-] 1 3.516 2 4 1.63136846808994 5816462 CC1=CC(=C(C(=O)N1)C(=O)/C(=C/C2=C(C=CC(=C2)OC)OC)/C)C 1 2.872 1 4 -14.8031343431069 5816200 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NNC=C3C=CC(=O)C=C3 1 1.791 3 3 0 -9.3103872302182 5816188 CN(C)/C=C/C1=C(C(=O)NC(=O)N1)[N+](=O)[O-] 1 -1.031 4 4 0 -11.3411622023121 5815929 C1CC(OC1)CN2C(=O)/C(=C/C3=CC=CS3)/C(=O)NC2=O 1 1.382 2 4 0 -10.3428054425412 5815752 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 1.659 4 5 0 -16.0698865898039 5815741 COC1=CC=CC(=C1)/C=C/2\C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCCN4CCCC4 1 2.866 3 3 -9.43969507929607 5815646 CC1=NC2=C(C=C(C=C2)NC(=O)/C=C/C(=O)O)N=C1C 1 1.223 3 3 0 -5.55661776041916 5815537 CN(C)/C=C/C(=O)C1=CC=C(C=C1)OCCN(C)C2=CC=CC=N2 1 2.907 3 2 -2.7559067060973 5815493 C1COCCN1CCCNC(=O)CN2C3=CC=CC=C3O/C(=C/C4=CC=CC=C4Br)/C2=O 1 2.419 3 4 0 -11.4947366522065 5815162 CC1=C2C(C(C(=O)N=C2N(N1)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C5=CC=CC=C5OC 1 3.286 4 3 0 -13.5580193978124 5814789 C1=COC(=C1)C(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 2.53 2 3 4.029769254067 5814550 CC1=CC=C(C=C1)CC(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.757 3 2 0 1.03502136876491 5813952 C1=CC(=CC(=C1)Br)/C=C\2/C(=O)N(C(=S)S2)N/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 3.506 3 4 0 -3.37907372416649 5813897 CSCCC(C(=O)O)NS(=O)(=O)/C=C/C1=CC=CC=C1 1 0.976 1 4 0 -10.3926625123683 5813887 C1=CC(=C(C(=C1)Cl)/C=C/C(=O)NCC(=O)O)Cl 1 2.316 1 3 -9.46265989461834 5813837 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC2CCS(=O)(=O)C2)Cl)CC3=CC=CC=C3Cl 1 2.36 3 5 0 -17.4314812095397 5813804 CC\1=C(C(=O)NC(=O)/C1=N\NC2=C(C=C(C=C2)Br)C(=O)O)C#N 1 2.005 4 4 0 -6.97465890131204 5813760 C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=C(C=C5)Br)/O 1 3.343 2 5 0 -8.82768941131563 5813408 CC1=CC(=O)N=C(N1)NN/C=C/2\C=CC(=O)C(=C2)OC 1 -0.581 4 3 0 -6.75773956150012 5813359 CC1=NN=C(S1)NC(=O)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC)/SC2=S 1 2.401 4 3 0 -16.0861621743943 5812485 CCN(CC)C1=CC(=O)/C(=C/NN(C2=CC=CC=C2)C3=CC=CC=C3)/C=C1 1 4.023 3 1 -3.78450209178276 5812483 COC1=CC(=CNNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O)C=C(C1=O)OC 1 1.738 3 6 0 -3.74339149533232e-002 5812465 C1=CC(=CC=C1CSC2=NC=C/C(=C/N=O)/N2)Cl 1 2.723 3 1 -3.54069975989169 5812348 C1=CC=C2C(=C1)/C(=C/NNC(=O)CSC3=NN=C(S3)SCC4=CC=C(C=C4)Cl)/C=N2 1 3.882 5 1 -11.0161943681002 5811960 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2CCCCC2)/NNC(=O)C3=CC=CC=C3 1 2.214 4 4 0 -12.1330503994961 5811938 C1=CC=C2C(=C1)N=C(S2)/C(=C\3/C4=C(C=CC(=C4)F)NC3=O)/C#N 1 3.266 3 1 -4.70395065033201 5811816 CC\1=NN(C(=O)/C1=C(/C)\NCCN2CCNCC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 0.489 6 3 0 -13.2404562674665 5811786 C1=CC=C(C=C1)C(=NN/C=C/2\C=CC(=O)C(=C2O)O)C3=CC=CC=C3 1 2.388 2 3 -4.8499405109551 5811720 COC1=CC=C/C(=C\NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])/C1=O 1 1.742 3 5 0 -3.31257294866689 5811683 CC(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)\O)/C(=O)C(=O)N2CCOC 1 2.244 2 7 0 -22.5049601350845 5811613 CC1=CC(=O)/C(=C/NNC2=CC=C(C=C2)F)/C(=O)O1 1 1.411 2 3 0 -0.127524067987722 5811607 COC(=O)CN/C=C/1\C2=CC=CC=C2C(=O)N(C1=O)C3=NC=C(C=C3)Cl 1 1.632 3 4 0 -8.92527394897177 5811539 CC1=C/C(=C\2/C=C(NC(=N2)C3=CC=CC=C3)C(C(F)F)(F)F)/C(=O)C=C1 1 3.294 2 1 -5.33733608226132 5811159 CC\1=C(C(=O)NC(=O)/C1=N\NC2=CC=C(C=C2)S(=O)(=O)N)C#N 1 0.332 5 4 0 -12.5964387735208 5811072 C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NC=CS4)C5=CC=CC=C5F)/O 1 2.941 2 5 0 -10.9492412489028 5811052 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCCCN3C=CN=C3 1 0.114 4 4 0 -21.5863329937339 5811026 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)/NCCCN3C=CN=C3 1 0.975 5 3 0 -7.16518463325859 5811002 C1=CC=C(C=C1)N2C=CC=C2/C=C/3\C(=O)N(C(=O)N3)CC4=CC=CC=C4F 1 3.899 3 2 -2.53148413490999 5810812 CC1=C(C(=NO1)C2=CC=CC=C2)C3=N/C(=C\C4=CC(=CC=C4)OC)/C(=O)O3 1 3.843 2 4 -7.82074050574744 5810768 C1=CSC(=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)C3=CNC(=O)C=C3 1 0.764 3 4 0 -14.276898374993 5810636 C1=CC(=O)/C(=C/NNC(=O)CN2C=NC=N2)/C=C1[N+](=O)[O-] 1 -1.434 6 4 0 -13.2744915489027 5810592 C1=C/C(=C\N=NC(=C2C=CN(C=C2)O)O)/C(=O)C=C1 1 1.009 3 3 0 -2.50259965465817 5810484 CCCC\1=NN(C(=O)/C1=C(\C)/NCC2=CC=NC=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.485 5 3 0 -10.3015236292274 5810385 CN(C)CCN1C(/C(=C(\C2=CC(=C(C=C2)OC)OC)/O)/C(=O)C1=O)C3=CN=CC=C3 1 1.331 3 5 0 -11.3669071279834 5810234 C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NC=CS4)C5=CC=CC=C5)/O 1 2.735 2 5 0 -9.14725761425965 5810215 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O)OC(=O)C3=CC(=CC=C3)F 1 4.172 2 6 0 -20.3577853152815 5810191 CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCCN3CCOCC3)\NC(=O)C4=CC=CC=C4 1 1.548 5 5 0 -21.4179919569966 5810026 COC1=CC=C(C=C1)/C=C/C(=O)C2=COC=C2 1 2.789 0 3 -3.18588722734867 5809896 CCOC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5=CC=NC=C5 1 2.927 2 6 0 -8.78491402658139 5809890 C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CC=NC=C4)C5=CC=CC=C5F)/O 1 2.8 2 5 0 -10.125342368147 5809710 CC1=CC=CC=C1NC(=O)CN2C(=O)/C(=C\C3=CN=CC=C3)/SC2=O 1 2.12 3 3 -10.2809463828829 5809532 CC1=CC(=CC=C1)NC(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-] 1 3.541 2 3 1.56676920232604 5809316 CC1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)N 1 2.204 4 3 0 -13.9705830179884 5809179 C/C(=C\1/C=CC(=O)C=C1O)/NNC(=S)NCCC2=CC=CC=C2 1 2.435 3 2 -7.22301184385087 5809003 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC=C3C=CC(=O)C=C3)C 1 1.337 4 2 0 -3.33240793718096 5808003 C1COC2=C(O1)C=CC(=C2)N/N=C/3\C=CC(=O)C4=C3N=CC=C4 1 2.68 3 3 -3.80332567269755 5807995 COC1=C(C=C(C=C1)/C=C/C2=N/C(=C/3\C=CC=CC3=O)/NN2)OC 1 2.13 3 3 -7.0450018155892 5807939 C1=CC=C(C(=C1)C(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CS3 1 5.617 3 3 -10.9765445324391 5807729 C1=CC(=CN=C1)NC(=S)NN/C=C/2\C=CC(=O)C(=C2O)O 1 0.183 4 3 0 -5.55241902377786 5807580 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC=C3C=CC(=O)C=C3 1 2.277 3 3 -8.61288792890299 5807536 COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 5.068 0 7 0 -7.1435092315473 5807442 CC(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)/C(=C/N(C)C)/C#N 1 4.318 2 2 -3.04309490541519 5807440 CN(C)/C=C/C1=C(C=C2C(=O)C3=CC=CC=C3OC2=N1)C(=O)OC 1 2.645 2 4 -1.96178302674192 5807017 C1COC2=C(O1)C=CC(=C2)NN=C3C(=O)NC(=O)NC3=O 1 0.439 4 5 0 -14.5491138956844 5807013 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=C(C=C3)N4CCOCC4)/NC2=O 1 1.915 4 4 0 -7.87734823435961 5806926 CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C)/C=C(\C#N)/C(=O)NC4=CC=C(C=C4)Cl 1 4.497 5 4 0 -15.0302723153988 5806595 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCC(C2=CC=C(C=C2)F)N3CCOCC3 1 2.972 3 3 -18.5083975778917 5806576 C1=CC(=C(C#N)C#N)N(C=C1)/C(=C\C2=CC=CO2)/C(=O)C3=CC=C(C=C3)Cl 1 3.637 3 2 -5.75116868585593 5806474 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)OC 1 1.89 2 6 0 -13.2535282717764 5806190 COC1=C(C=CC(=C1)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3)OCC(=O)N 1 1.073 3 5 0 -12.1083549639431 5806166 CC1=NC=C(S1)C\2=CNN/C2=C\3/C=CC(=CC3=O)OC 1 -0.226 3 2 0 -4.08590567641725 5806008 CC(C)(C)NC(=S)NNC=C1C=C(C(=O)C(=C1)Br)Br 1 2.391 3 1 -7.07491774214703 5805967 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCC3=CN4C=C(C=CC4=N3)Cl 1 2.477 3 3 -10.3605296239264 5805700 C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43)/N 1 3.848 3 3 -11.5904353556458 5805137 CC1=CC=C(C=C1)S(=O)(=O)/N=C(/NC2=NC(=CC(=N2)C)C)\N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.324 6 3 0 -6.29257513470957 5805040 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N/N=C/2\C=C(C=C(C2=O)Br)C 1 3.261 3 3 -9.59236043133145 5804696 C1=CSC(=C1)CC(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 3.039 2 2 1.37535068687534 5804570 C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=O)/C=C/C3=CC=C(C=C3)Cl 1 4.564 3 3 -3.22071440850112 5804319 CC1=CC(=CC=C1)OCC(=O)NCC(=O)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-] 1 0.239 5 6 0 -11.7724032744451 5804318 C1CCN(CC1)N/C=C\2/C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F 1 1.227 4 3 0 -4.57804870321776 5804056 C1=CC=NC(=C1)/C=C/C(=O)C2=CC(=CC(=C2O)Cl)Cl 1 4.066 1 2 6.42111943066202 5803693 COC1=CC2=C(C=C1)C(=O)/C(=C\C3=CC=CC=N3)/CC2 1 3.524 1 2 5.087277151173 5803692 COC1=CC2=C(C=C1)C(=O)/C(=C\C3=CC=NC=C3)/CC2 1 3.096 1 2 3.05947309675767 5803690 C1CCC(C1)C2CC/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C2=O 1 4.375 1 3 -3.44393297020374 5803687 C1=CC(=O)C=CC1=CNNC2=NC=NC3=C2NC=N3 1 -0.394 6 1 0 0.989237179021392 5803002 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C2=C(N=CN2)[N+](=O)[O-] 1 2.322 4 4 0 -0.295864028107931 5802767 C1=CC2=C(C(=O)N=C2C=C1)NNC(=O)CSCC3=CC=C(C=C3)Br 1 2.264 3 2 -11.3904791171085 5802674 CC1=CC=CC(=C1)C2=N/C(=C\C3=COC4=CC=CC=C4C3=O)/C(=O)O2 1 3.317 1 4 -3.19092896570874 5802504 CCOC1=CC(=C(C=C1)N/C=C/C(=O)C2=CC=C(C=C2)C)[N+](=O)[O-] 1 3.756 2 4 -2.18176859880298 5802266 C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)Br)/N 1 3.688 3 3 -11.3214691822026 5802223 C1CN(CCN1CCC(=O)NN/C=C/2\C=CC=CC2=O)C3=CC=CC=C3 1 1.226 4 2 0 -1.95577553091154 5802219 CNC1=C(N=C(O1)/C=C/C2=CC=CC=C2)C#N 1 2.36 3 1 -4.15105582383576 5801934 CN(CCC#N)C(=O)COC(=O)C1=C2CC/C(=C\C3=CC=CO3)/C2=NC4=CC=CC=C41 1 3.487 3 4 0 -11.8389094001747 5801628 CCN(CC)C1=CC(=O)/C(=C/NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C(C)C)/C=C1 1 1.074 9 3 0 -21.5157066853682 5801002 CC1=C(C=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 2.08 2 6 0 -19.7308236716187 5800932 C1COC(=CO1)C(=O)NC2=CC(=O)/C(=C\3/NC4=CC=CC=C4S3)/C=C2 1 1.472 2 4 0 -7.81683724622447 5800878 CC1=CC(=CC(=C1)NC(=S)/C(=C(/C2=C(C=C(C=C2)Cl)Cl)\[O-])/[N+]3=CC=CC=C3)C 1 6.399 2 1 1.36621180221759 5800405 CC1=CC=CC=C1C2=C3C(=CC(=N2)C(=O)NCC4CCCO4)C5=CC=CC=C5N3 1 4.601 3 2 -5.92752223528603 5800378 C1CC(OC1)CNC(=S)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-] 1 0.764 5 4 0 -13.5687140861504 5800279 COC1=CC=C/C(=C\NNC2=NC=NC(=C2)N3CCOCC3)/C1=O 1 -2.8e-002 5 3 0 -0.67787556965313 5800217 CC\1=NN(C(=O)/C1=N/NC2=CC=C(C=C2)Br)C(=S)N 1 2.437 5 1 -1.44670700941434 5800026 CC1=CC(N2C(=N1)N=C(N2)NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 3.018 5 1 -5.36244850425424 5799835 CN1C=CC=C1/C=C/2\CCC3=CC=CC=C3C2=O 1 3.853 1 1 3.49477989447683e-002 5799669 COC1=C(C=C(C=C1)NC(=O)C2C/C(=C\3/C=CC=CC3=O)/NO2)OC 1 0.804 2 5 0 -13.5201083754639 5799533 C1=CSC(=C1)C2C=C(N=C3N2NC=N3)C4=CC=C(C=C4)Br 1 3.306 4 0 -2.84718369210165 5799476 CC1=CC(=NC2=C1C(=C(S2)/C=C/C(=O)OC)N=CN(C)C)C 1 2.631 3 2 -2.50120674398136 5799360 C1=CC=C(C=C1)NCC(=O)NN/C=C/2\C(=O)C=CC3=CC=CC=C32 1 1.717 3 2 0 -5.22610669000215 5799326 CC\1=CC(=O)C(=C/C1=N\NC2=CC=CC=C2C(=O)O)C(C)C 1 3.778 2 3 1.21914624970095 5799223 CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)C)/NN3CCCCCC3 1 2.673 4 3 0 -6.92892476910173 5799050 CC(C)(C)C1=CC(=CNOCC(=O)O)C=C(C1=O)C(C)(C)C 1 2.222 1 4 -3.60723953333863 5799049 CC(C)(C)C1=CC(=CNOCC(=O)NN)C=C(C1=O)C(C)(C)C 1 1.102 3 3 0 -2.46747913373865 5798874 COC1=CC=C/C(=C\NNC(=O)CNC(=O)C2=CC3=C(C=C2)OCCO3)/C1=O 1 -0.46 3 6 0 -15.2385069530563 5798633 C1CN(CCC1NC(=O)/C=C/C2=CC(=CC=C2)Br)CC3=CC=CC=C3 1 3.948 2 1 -0.699150094851426 5798576 CC\1=NC2=CC=CC=C2/C1=C/NN3C(=CSC3=NC)C4=C(C=CC(=C4)OC)OC 1 2.702 4 2 -5.86942624926813 5798461 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NNC3=C4C=CC=CC4=NC3=O 1 0.998 5 2 0 -5.69250126839649 5798399 CC(=O)OC1=C(C=CC(=C1)OC)C2=NN(C(C2)C3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4 1 4.635 2 4 -3.565360327491 5798331 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)/C=C/C3=CC=CS3 1 2.321 2 5 0 -21.0637952172297 5798142 CCN(CC)C1=CC=C(C=C1)N/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC(=C(C=C3)OC)OC 1 3.143 4 5 0 -14.7961178203321 5798103 CN1C(=O)/C(=C\2/C=CC=CN2CC=C)/SC1=S 1 2.073 2 1 -11.4253449600629 5798031 C1COCCN1CCCN2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC=C(C=C5)Br 1 2.799 2 6 0 -11.6347918502646 5797772 C1CCN(CC1)C(=O)CSC2=NN/C(=C/3\C=CC=CC3=O)/O2 1 2.062 3 3 -15.4652860122032 5797751 C1=CC=C(C=C1)C(=O)/C(=C/C2=CC=CC=C2Cl)/N3C=CC=CC3=C(C#N)C#N 1 4.242 3 1 -6.88527547979259 5797491 CN1C2=CC=CC=C2N=C1SCC(=O)NNC3=C4C=CC=CC4=NC3=O 1 1.772 5 2 0 -11.8230743749066 5797485 C1CCCC(CC1)NC(=O)/C=C/C2=NC3=CC=CC=C3N=C2 1 3.713 3 1 -5.60000310093287 5797427 CC1=CC(=O)/C(=C/NNC2=CC=CC=C2)/C(=O)O1 1 1.206 2 3 0 -0.996055231826322 5797348 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)/C=C/C2=CC=CS2 1 1.859 2 5 0 -15.2162632244734 5796955 C1COC(=O)C1OC(=O)CNS(=O)(=O)/C=C/C2=CC=CC=C2 1 0.113 1 6 0 -2.88987120504195 5796733 C1=CC=C(C=C1)CS(=O)(=O)NC2=NC(=O)/C(=C/3\C4=CC=CC=C4NC3=O)/S2 1 2.276 3 4 0 -15.3041498136166 5796638 COC1=CC(=CC(=C1OC)OC)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5=CC=CO5 1 2.878 1 9 0 -11.7540796212672 5796281 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)/C=C/C3=CC(=CC=C3)Cl 1 3.87 3 3 -9.89769776412536 5796151 C1C/C(=C\C2=CC=C(C=C2)C(=O)O)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O 1 4.707 1 4 -1.69845005255551 5796142 C1OC2=C(O1)C=C(C=C2)N/C=C/3\C=C(C=C(C3=O)Br)Br 1 2.772 1 3 -4.35256226029253 5795723 COC1=CC=C/C(=C\NNC2=C(C=C(C=N2)C(F)(F)F)Cl)/C1=O 1 2.455 3 2 5.35687378167799 5795340 CC1=C(C(=O)OC2=C1C=CC(=C2Br)O)Br 1 3.305 0 3 2.59767207485982 5795380 CC1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCCN5C=CN=C5 1 2.452 3 5 0 -6.57658643321541 5795275 C1=CC=C(C=C1)/C=C/C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 1.909 2 3 0 -8.45800910639271 5795274 CCN(CC)C1=CC(=O)/C(=C/NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)/C=C1 1 0.28 4 5 0 -22.4647175943972 5795208 COC1=CC=C(C=C1)N/C=C\2/C(=O)C3=C(O2)C=CC4=CC=CC=C43 1 3.369 1 3 -0.351579629641626 5795078 CC1=NC(=C2C3=C(CCC3)SC2=N1)NNC4=C5C=CC=CC5=NC4=O 1 2.585 5 1 -10.0883276035836 5794941 COC1=C(C=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5=CC=CO5)O 1 2.668 1 8 0 -8.30308468374133 5794940 CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CC=CO4)C5=CC(=C(C=C5)O)OC)/O 1 3.318 1 7 0 -5.93490037210429 5794929 CN(C)C1=CC=[N+](C=C1)/C(=C(\C2=CC=C(C=C2)Cl)/[O-])/C(=S)NCC3=CC=CO3 1 3.836 3 2 -4.90767522749402 5794680 C1CC(OC1)CN2C(=O)/C(=C/C3=CN=CC=C3)/SC2=S 1 2.255 2 2 -12.3994332150733 5794660 C#CCSC1=NNC(=C2C=CC(=O)C=C2)O1 1 3.071 2 2 -9.2645968135533 5794278 C1COCCN1C(=O)/C(=C\2/N(C(=O)C(S2)CC3=CC=C(C=C3)F)C4=CC=CC=C4)/C#N 1 3.252 3 3 -10.2373186398529 5794211 CC(=O)NC1=CC=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)N(C)C 1 2.984 2 2 -5.50523069356588 5794107 CC1=NN(C=C1/C=C/C(=O)C2=CC=CC=C2)C 1 2.634 2 1 2.61427382369116 5794045 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)N4CCCCC4 1 4.583 3 7 0 -8.14601414143611 5794004 CCCCC(=O)NN/C=C/1\C(=O)NC(=O)N(C1=O)CC2=CC=CO2 1 -1.e-003 4 5 0 -12.8758683104271 5793938 C1=CC=C(C=C1)S(=O)(=O)/N=C(/NC2=CC(=CC=C2)Cl)\NN 1 1.678 4 2 0 -3.96890665354131 5793727 CCN(CC)C1=CC(=O)/C(=C/NC2=CC=C(C=C2)C)/C=C1 1 3.054 2 1 -4.04805906931394 5793725 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)N/C=C(\C#N)/C4=NC(=CS4)C5=CC=CC=C5 1 5.292 3 2 -12.7063256396481 5793457 CC1=CC=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCCC4 1 2.972 5 2 0 -20.8319391667294 5793406 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)/C=C/C3=CC=CC=C3 1 2.366 3 4 0 -17.8226360290017 5793288 COC1=CC=C(C=C1)N/C=C(\C#N)/C2=CC=C(C=C2)OCCCF 1 3.426 2 2 -6.3342359152557 5828196 C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C(=O)NC(=O)S3)S(=O)(=O)N 1 1.852 2 5 0 2.23479338629284 5793140 C1=CC(=C(C=C1Cl)Cl)/C=C/C(=O)NCC(=O)O 1 2.316 1 3 -4.73174428856735 5792981 COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)/C=C/C3=CC4=C(C=C3)OCO4 1 4.26 1 6 0 -15.5617740409788 5792786 CCOC1=C/C(=C/NNC(=O)CCCC(=O)NC2CCCCC2)/C=CC1=O 1 1.117 3 4 0 -14.2155814243233 5792764 COC1=CC2=C(C=C1)/C(=C/NNC3=CC=C(C=C3)C(=O)O)/C=N2 1 2.062 3 3 0.722700143314629 5792567 CCOC(=O)/C=C/COC1=CC=CC=C1[N+](=O)[O-] 1 2.445 1 5 -6.19294459226867 5792526 COC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)NS(=O)(=O)C)C4=CC=C(C=C4)OC 1 1.673 5 4 0 -3.19878180313278 5792430 CC1=CC(=C(N1C2=CC=CC=N2)C)/C=C\3/C(=O)N(C(=O)S3)C(C)C(=O)OC 1 2.895 3 4 0 -9.64027516417812 5792264 CCCCCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=CS3)C 1 3.19 4 2 -18.6138589326955 5792239 COC1=CC=C/C(=C\NNC2=NC(=NC(=N2)N3CCCC3)N4CCCC4)/C1=O 1 0.508 7 2 0 -0.236477933250534 5827280 COC1=C(C=CC(=C1)/C=C/C(=O)O)S(=O)(=O)N2CCCC3=CC=CC=C32 1 3.135 1 5 -12.5491566918033 5827271 CCC1(CC2=C(CO1)C=C3C(=N2)NC(=S)N(C3=O)C4=CC=CC=C4C)C 1 4.248 3 2 -8.78996754793227 5827230 CC1=NN=C(S1)N2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC(=CC=C5)OC 1 2.456 3 6 0 -12.0130266798429 5826942 CCOC(=O)/C=C/C(=O)OCC(=O)NC1=C(C(=CC=C1)Cl)Cl 1 2.804 1 5 -6.18566271143867 5826833 CCN1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)OC 1 2.001 2 2 -4.05443065020863 5826643 COC1=CC=CC=C1/C=C/C(=O)OCC(=O)NCC2=CC=CO2 1 1.961 1 5 0 -12.3432859725741 5826686 CC1=C(C=C(C=C1)N/N=C/2\C(=NN(C2=O)C(=S)N)C)C 1 2.661 5 1 -2.13145375014946 5826589 C1CC(C(CC1)N/C=C\2/C(=O)C=CC=C2)N/C=C\3/C(=O)C=CC=C3 1 1.739 2 2 0 -3.25586514460059 5826526 C1=CC=C(C=C1)C/C(=C(\C#N)/P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)/O 1 4.811 1 2 -7.23117607384279 5826519 CC1=CC(=C(C=C1Br)C)SCC(=O)NN/C=C/2\C=CC(=O)C(=C2)OC 1 2.809 2 3 -5.5635956041999 5791891 CN(C)/C(=C\1/C(=O)OC(=N1)C2=CC=CC=C2)/CN3CCN(CC3)C=O 1 0.777 4 3 0 -4.32944778528207 5791869 CN(C)CCCN/C=C/1\C(=O)NC(=O)N(C1=O)CCC2=CC=C(C=C2)F 1 0.868 4 3 0 -7.5307446239644 5791637 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)/C=C/C3=CC=C(C=C3)F 1 2.573 2 5 0 -17.9518421026436 5826499 COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)O)OC)C4=CC=CC=C4 1 4.316 2 6 0 -5.5053143010859 5826146 C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3)Cl 1 5.38 2 3 -5.263022094791 5826284 COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)Cl)/C(=N2)CC(=O)OC 1 3.718 2 4 -8.95181250931386 5826002 CC1CC(CC(C1)(C)C)NC(=O)/C=C/C(=O)O 1 2.185 1 3 -9.14228487940358 5825998 CCCCCCCC(=O)NN/C(=C/1\C=CC(=O)C=C1O)/C 1 2.266 2 3 -9.81143772635166 5825995 CN(C)CCN/C=C/1\C(=O)NC(=O)N(C1=O)CC2=CC=CO2 1 -0.539 4 4 0 -9.59051478695566 5825994 COC1=CC=C(C=C1)C2CC(N3C(=N2)C=C(N3)C(=O)O)C(F)(F)F 1 1.555 3 3 0 -1.70353661202452 5825936 C=CCOC1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCCN5CCOCC5 1 2.651 2 7 0 -17.9557448873884 5825928 CC(C)CNC(=O)COC(=O)C1=C2CC/C(=C\C3=CC=CS3)/C2=NC4=CC=CC=C41 1 5.052 2 3 -13.3386147802311 5825911 CC1=CC(=O)OC2=C1C=CC(=C2C(=O)/C=C/C3=CC=CC=C3)O 1 3.976 0 4 -6.03757628085936e-002 5825868 CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)/C=C/C2=CC=CO2 1 3.184 2 4 -3.64586498306301 5791561 C1COCCN1C2=CC=C(O2)/C=C/3\C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F 1 3.306 2 4 1.14819073719524 5791575 CCOC1=CC=CC(=C1)C2/C(=C(\C3=CC4=C(C=C3)OC(C4)C)/O)/C(=O)C(=O)N2CC5=CN=CC=C5 1 3.577 2 5 0 -7.83614724902657 5791598 CC(C)(C)C1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-] 1 5.158 2 3 2.3296285060621 5791416 CCN(CC)C1=CC(=O)/C(=C/NNC(=O)C2=C(OC=C2)C)/C=C1 1 0.724 3 3 0 -5.83955002178332 5791382 CC1=C(N2C=CC=CC2=N1)C(=O)N/N=C\3/C4=CC=CC=C4N(C3=O)CCC(C)C 1 3.002 5 2 0 -8.09760161218102 5825749 CCN1C=C(C2=CC=CC=C21)/C=C(/C(=O)N3CCN(CC3)C)\NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 2.957 4 5 0 -17.2842405977829 5791321 CCOP(=O)(C(C1=CC=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)OC)OCC 1 3.284 1 5 -11.0519754699442 5791282 COC1=CC2=NC(=C(C=C2C=C1)/C=C/C(=O)C3=CC=CO3)Cl 1 4.14 1 3 4.5636348120727 5825518 CCN=C1N(C(=CS1)C)N/C=C/2\C=CC(=O)C(=C2O)O 1 1.8e-002 3 3 0 -7.55421685173341 5791077 CC\1=NC2=CC=CC=C2/C1=N/NC3=CC=C(C=C3)F 1 3.518 3 0 -2.90508812671563 5825390 C/C(=C(\C(=O)NC1=CC=CC=C1)/N=O)/NNC2=CC=CC=C2 1 2.561 4 2 -3.13958387942761 5825353 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)/C=C/NC3=CC=C(C=C3)OC 1 3.981 2 2 0.829600907511346 5825250 C1=CC=C(C=C1)CN/C=C\2/C(=O)/C(=C/C3=CC=CC=C3)/NC2=O 1 1.849 2 2 0 -7.56097052132221 5825246 CC(=O)N1CC(=O)N/C(=C/C2=CC=CC=C2Cl)/C1=O 1 0.67 2 3 0 -7.51638664741826 5825075 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NNC4=C5C=C(C=CC5=NC4=O)Br 1 3.655 4 2 -9.73937215525097 5825047 CC1CCCN(C1)CC2=C(C=CC3=C2OC(=O)C4=C3CCCC4)O 1 4.401 1 3 4.24288499734145e-002 5824950 CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=CC=C(C=C2)C(C)C 1 3.772 0 4 -1.92437282468315 5790868 CNC(=O)/C=C/C1=CC(=CN1C)C(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.829 2 2 -1.13397437027723 5790752 CC(C)(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2CC2 1 3.235 2 1 -9.64413545216738 5790681 CC(C1=CC=CC=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)O)/C#N 1 2.771 2 4 -17.9255716858047 5790679 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCCC4 1 4.018 4 4 0 -24.1969851150938 5824733 CC1CN(CC(O1)C)C2=NC(=O)/C(=C/C3=CC=NC=C3)/S2 1 1.7 3 2 0 -9.32565069168812 5824801 CN1C/C(=C\C2=CC=C(C=C2)N3CCOCC3)/C(=O)/C(=C/C4=CC=C(C=C4)N5CCOCC5)/C1 1 3.607 3 3 1.20989014116912 5824727 CCC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=C(C(=O)C3=CC=CC=C32)NC4=CC=CC(=C4)C(=O)O 1 4.185 2 5 0 -1.72870335340009 5824726 CC1=CC(=C(C=C1)S(=O)(=O)/N=C/2\C=C(C(=O)C3=CC=CC=C32)NC4=CC=CC(=C4)C(=O)O)C 1 4.215 2 5 0 0.414216163768181 5824722 CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=C(C(=O)C3=CC=CC=C32)NC4=CC=CC(=C4)C(=O)O 1 3.729 2 5 0 -1.48926521762101 5824720 CCC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=C(C(=O)C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)O 1 4.185 2 5 0 -2.08365567374648 4345007 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 4.604 1 3 -8.12170333141337 4344962 CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC3C(=O)N=C(S3)N 1 3.31 3 4 0 -25.2010565421753 4344813 C1CCC(=NNC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3)C1 1 3.568 2 3 -9.33059211557088 4344811 CC1(CC1(Cl)Cl)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 4.14 1 3 0.388065541878128 4344800 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)OC 1 3.45 1 5 -18.5085595181825 4344655 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC3=NC=NC4=CC=CC=C43 1 1.335 4 6 0 -19.7069856734339 4344608 CC(C)N1CCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])CC1 1 1.369 5 5 0 -21.4555311228198 4344591 COC(CNC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)OC 1 4.333 3 3 -8.19019145002043 4344299 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N(C)C2CCCCC2 1 1.929 2 4 0 -14.1119456788633 4344057 CCC(C)NC(=O)C1=CN=C2N(C1=O)CCS2 1 0.897 3 2 0 -17.8515443287221 4343980 CC1=CC(=CC(=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3)C 1 5.097 3 0 -4.40571238870849 4343967 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NN=CC2=CC=CC=C2OCC(=O)O)[N+](=O)[O-] 1 2.622 4 7 0 -17.8131353145944 4343946 CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)C)O)C(=O)C3=CC=CC=C3 1 3.188 2 4 -8.53767057637626 4343918 CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCC2=CC=C(C=C2)OC)C 1 3.032 2 4 -9.49095484206006 4343914 COC1=CC=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC=C(C=C4)N5C(=O)CCC5=O 1 2.626 4 4 0 -11.6718912306716 4343840 C1=CC(=CC=C1CNC(=O)CSC2=NC=CN2C3=CC=C(C=C3)F)F 1 3.637 3 1 -10.6703143750271 4343836 CCCCN1C2=CC=CC=C2N=C1CNC(=O)C(C)(C)C 1 3.747 3 1 -12.1927382017063 4343679 CC1C(C2=C(N1C)C=CC(=C2)NC(=O)C)(C)C 1 2.157 2 1 -5.71963079715005 4343678 CCN1C(=C(C=N1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C 1 1.636 4 4 0 -11.6711377768104 4343540 CC1=CC(=CC=C1)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 4.924 3 2 -5.13537922570009 4343532 CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)N(C)C)N)C#N 1 1.58 4 2 0 -20.0234912480268 4343531 CC(=C)CN1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)CCCC3=O)[N+](=O)[O-] 1 2.523 4 4 0 -10.4446876674914 4343530 C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=O)N5C=C(C=CC5=N4)Cl 1 4.023 5 1 -11.3661794956334 4343528 CCC1CCCCN1S(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)CC 1 3.581 2 3 -14.5114006769523 4343526 CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCCCC2 1 1.181 2 3 0 -22.2959258177406 4343451 CC(C#N)(C1=CN=CC=C1)NC2=CC=C(C=C2)Cl 1 2.913 3 0 -0.264582446855206 4343436 C1=CSC(=C1)C(=NNC2=CC=C(C=C2)Cl)CCC(=O)O 1 3.892 2 2 -4.24781574415764 4343416 CC1=NC2=C(C(=N1)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)N(C(=O)N2C)C 1 1.668 6 3 0 -17.4782219117154 4343412 COC1=C(C=C(C=C1)CNC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)OC 1 4.029 1 6 0 -17.8476052766441 4343351 CC1=NN=C(N1N)NN=CC2=CC=CO2 1 -0.119 6 1 0 -7.72570205222864 4343313 CC1=NC(=CC=C1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=CC=C4 1 3.586 2 3 -15.9695806030344 4343310 C=CCN1C=CC(=CC=C(C#N)C#N)C=C1 1 1.239 3 0 0 -1.24575137067375 4343274 CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)N2CCOCC2 1 -0.421 3 4 0 -19.6405939218139 4343236 C1=CC=C(C=C1)CN(CCC(C2=CC=CC=C2)C3=CC=CO3)C(=O)C4=CC=CO4 1 5.052 1 3 -11.915895407508 4343211 C1=CC(=CC=C1C(=O)CC=NOCC2=C(C=C(C=C2)Cl)Cl)Cl 1 5.085 1 2 1.38284112915326 4343204 CC1=CC(=NN1)C(=O)NN=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])C 1 3.286 5 4 0 -5.57774112678924 4343143 CC(=NNC(=O)C1=CC=NC=C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 2.297 4 2 -10.6939418765762 4343038 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)Cl 1 3.155 3 3 -7.20393621332324 4343068 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCN(C)C)N3CCOCC3 1 3.092 5 1 -7.15366489171426 4343065 C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=C(C=N3)[N+](=O)[O-])C(F)(F)F 1 4.01 5 2 0 3.36622482480436 4343061 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CC=C3)CCN4CCOCC4 1 2.561 4 5 0 -29.3348899084961 4343049 CC1CCC2=C(C1)SC3=NC=NC(=C23)N4C=NC5=C4C=C(C(=C5)C)C 1 5.556 4 0 -8.25939332165893 4342982 CC(=NNC(=O)C1=CC=CS1)CC(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F 1 3.515 3 2 -7.4607616809702 4342968 C1CCC(C1)NC(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.28 3 6 0 -10.4022601607667 4342954 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)C3=CC=CO3 1 0.863 3 5 0 -21.65734912687 4342883 CC1=NNC(=O)C1CCC(=O)NN=CC2=CC=C(C=C2)Cl 1 1.325 4 2 0 -17.5290836125248 4342738 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4OC 1 3.332 4 5 0 -10.9525573810649 4342649 C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC(=CC=C5)F 1 3.012 2 5 0 -14.9480829504999 4342623 COC1=NC(=NC(=N1)NC2=CC3=C(C=C2)OCO3)OC 1 2.156 4 4 0 -5.98871072353408 4342614 CC(=NNC(=O)CCCC(=O)NN=C(C)CC1=CC=CC=C1)CC2=CC=CC=C2 1 2.555 4 2 -11.0968492495789 4342607 CC1CC(CN(C1)C(=O)CNS(=O)(=O)C2=CC=C(S2)Br)C 1 1.917 2 3 0 -13.0129981035166 4342602 COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC=C)NC2=S 1 3.534 3 3 -17.0687965645527 4342527 CC1=C(C=C(C=C1)NC(=O)CNCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)N(C)C 1 1.895 3 5 0 -14.7830623976184 4342519 CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCN(C)C)CC2=CC=CS2 1 4.714 3 2 -14.2382450737193 4342447 CC1=CC=C(C=C1)C2CC2C3=NNC(=S)N3C4=CC=CC(=C4)C 1 5.028 3 0 -2.57628699402228 4342419 COC1=CC(=C(C=C1)OC)NC(=O)CC2(CCCC2)CC(=O)O 1 2.217 1 5 -7.26385450281243 4342380 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 0.649 5 6 0 -25.6473640500146 4342379 C1COCCN1CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O 1 2.561 1 3 -9.99320063780883 4342358 CCOC(=O)N1CCC(=NNC2=NC(=O)C=C(N2)C)CC1 1 0.154 5 3 0 -15.9753036616545 4342302 CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C2=CC3=CC=CC=C3O2 1 3.918 3 3 3.10848239230124 4342282 CCN1C=CC(=N1)C(=O)NC2=CC3=C(CCC3)C=C2 1 3.098 3 1 -12.6007520550304 4342249 CCOC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)C=CC=N2 1 3.3 3 3 -11.2741620444065 4342231 CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CN=CC=C2 1 2.204 3 2 -2.61379553510349 4342214 CCCSC1=CC(=O)N(N=C1C(=O)OCC)C2=CC=CC=C2 1 3.024 2 3 -9.0882080402529 4342211 CC1=C(C(=CC=C1)C)NC(=O)OCC2=CC=CC=C2SC 1 4.691 1 2 -7.64769289772796 4342184 CN(C)C=C1C(=O)N2C(=CC(=C2S1)C(=O)OC)C(=O)C3=CC=CC=C3 1 2.736 2 4 -9.58951469838423 4342166 COC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)CC3=CC=CC=C3 1 2.473 3 3 -3.48406888849782 4342046 CCCNCC(CN1C2=CC=CC=C2N3C1=C(C(=CC3=O)C)C#N)O 1 2.299 4 2 -4.91770034862498 4342001 CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)OC)F 1 3.316 3 2 -1.39540175170742 4341987 CCC1(CC2=CC=CC=C2C(=O)N1)C 1 2.219 1 1 -3.66638740620042 4341864 C1CN(CCN1CCCNC(=O)C2=CC(=CC=C2)Cl)CCCNC(=O)C3=CC(=CC=C3)Cl 1 3.444 4 2 -4.29067525425122 4341848 C1C(ON=C1C2=CN=CC=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)F 1 0.397 4 4 0 -9.29781615844317 4341847 CN(C)S(=O)(=O)OC1=C(SC=C1)C(=O)NC2=C(C(=CC=C2)Cl)Cl 1 3.046 2 4 -9.40637153000455 4341787 CC(C)(C)C1CCC(=NNC2=NC3=CC=CC=C3N2)CC1 1 3.759 4 0 -1.5320765416809 4341783 C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 0.793 3 7 0 -18.5987909889314 4341782 CC1=CC=C(C=C1)C(=O)NN(C)C2=NC3=CC=CC=C3N=C2C(F)(F)F 1 4.066 4 1 -3.75568272875188 4341780 CC(=O)C1=C(C=CC(=C1)N2CCC(CC2)C(=O)O)[N+](=O)[O-] 1 1.728 2 5 0 -4.661384220089 4341778 COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.012 3 6 0 -22.284318805806 4341670 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CC=CO3)OC 1 0.678 3 7 0 -19.0587530498092 4341616 COC1=CC=CC(=C1)NC(=O)CSC2=NN3CCCC(=O)N=C3S2 1 2.742 4 3 0 -15.011830833654 4341568 C1CCC(=CC1)CCNC(=O)C(=O)NCC2N(CCCO2)S(=O)(=O)C3=C(C=CC(=C3)F)F 1 2.181 3 5 0 -20.4236411846841 4341559 CCOC(=O)C1C(CC(=CC1=O)C2=CC=CS2)C3=CC=CC=C3 1 4.187 0 3 -8.45780985974469 4341541 CC1=C2C(C(C(CC2=NN1)(C)O)C(=O)C)C3=CC(=CC=C3)F 1 1.952 2 2 0 -6.99052543873435 4341512 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)Cl 1 3.416 4 3 0 -14.7217850904273 4341495 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.447 4 4 0 -12.4556352312093 4341450 CCN1C(=C2C=CC=CC2=NC1=O)NC(=O)C(C)C 1 1.987 3 2 0 -9.81560826650782 4341433 C(CCCCCOCCCCO)CCCCC(=O)NN 1 2.278 2 3 -6.96261589894391 4341198 COC1=C(C=C(C=C1)Cl)NC(=O)NCC2=CC=CO2 1 2.359 2 3 -8.15496230805937 4341026 C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=NC=C(C=C4)Cl 1 4.237 3 1 -3.05303904514457 4340963 CC(=O)N1C(OC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])(C)CC(=O)NC3=CC=CC=C3 1 2.057 4 5 0 -12.615717200045 4340808 CC1=CC(=NC=C1)NC(=O)C2=C(NC3=C(C2C4=CN(N=C4)C)C(=O)CC(C3)C5=CC=CC=C5)C 1 2.847 5 2 0 -36.0435788696149 4340721 COC1=CC2=C(C=C1)C=C(C(=N2)NC3=CC(=CC=C3)F)C#N 1 3.536 3 1 3.85208737823558 4340720 CCC(C)NC(=O)C1=CC2=C(S1)C3=C(C=CC(=C3)C)NC2=O 1 3.492 2 2 -16.9252674883374 4340674 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CN=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.231 5 4 0 -10.9542056781836 4340641 CC(=NNC(=O)C(=O)N)C1=CC=C(C=C1)NC(=O)C2=CC=CS2 1 0.885 4 3 0 -11.2622432642418 4340535 CN1C(SCC1=O)C2=CC=C(C=C2)OC 1 1.646 1 2 0 -8.84839327486955 4340485 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=NC=CC(=O)N3 1 2.113 3 2 -16.4544229428393 4340474 CCCCNC(=O)CCN1C(=O)C2=CC3=C(C=C2NC1=S)OCO3 1 2.546 3 4 0 -16.2557606773655 4340364 C1CC(CCC1CNS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.708 2 5 0 -15.4935931148582 4340325 CC1CC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC(C1)(C)C 1 3.672 4 4 0 -8.8025295377725 4340280 C1CC(CCC1CNS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=CN=CC=C3 1 2.79 3 3 -16.3212285780424 4340275 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)N3CCCCC3 1 1.936 3 4 0 -18.3177174180355 4340218 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3CC4CC3C=C4 1 0.819 2 6 0 -18.6795578872923 4340178 CCC(C)SC1=NC2=C(C(=O)N1C)SC(C2)C 1 2.579 2 1 -9.39619159512413 4339959 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)NCC3=CC=CC=N3)OCC 1 3.084 4 4 0 -20.844442034301 4339954 CCOC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCC(CC2)C(=O)N)OCC 1 3.042 3 5 0 -19.7804628324829 4339703 CSCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)Cl 1 1.698 1 4 0 -18.3717048489277 4339686 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 1.848 1 3 0 -8.3841813318 4339369 CC(C)(C)SCCNC(=O)CSC1=CC=CC=C1 1 2.976 1 1 -11.460509428187 4339188 C1=CC=C(C=C1)CC(=O)C2=CC(=CC=C2)C(=O)O 1 2.898 0 3 -4.32790747957906 4338967 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)SC(C3)C 1 2.298 3 3 -16.2203305127261 4338901 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CSC(C2=O)C 1 0.855 2 5 0 -17.3132044158033 4338884 CC1CN(CC(O1)C)CC2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C 1 2.679 5 3 0 -17.032373354277 4338775 CCN1C=C(C2=CC=CC=C21)SCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OCC 1 4.774 2 3 -21.5983603491566 4338757 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCN3C=CC4=CC=CC=C43 1 3.22 3 3 -25.7372434895417 4338730 CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.716 3 5 0 -23.5279767738991 4338598 COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NCC3CCCO3)N)OC 1 0.109 5 6 0 -30.1334485473731 4338578 COC1=CC=C(C=C1)NC(=O)C2C(C2=C)C(=O)NC3=CC=C(C=C3)OC 1 2.07 2 4 -2.4475253904519 4338533 C1=CSC(=C1)C=NNC(=O)CNC(=O)COC2=CC=C(C=C2)Cl 1 2.196 3 3 -11.5828573924625 4338529 C1CN(C(=N1)SCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4 1 3.66 2 3 -13.6081446096272 4338417 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)NC4=CC=CC=C4C(F)(F)F 1 2.555 5 5 0 -36.4702333022748 4338403 CC1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N(C)CCO 1 2.315 5 4 0 -0.368074256647516 4338137 C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)N4CCN(CC4)C5=CC=CC=C5 1 3.257 4 2 -16.666816075324 4338130 CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=CC(=C(C=C3)OC)OC)C(=O)C1)C 1 1.673 4 3 0 -25.6844196534032 4338124 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CCC3=CC=CC=C32 1 3.911 3 2 -18.6704671266923 4338113 C1CCN(C1)C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4Cl 1 2.772 5 2 0 -19.3627338590342 4338107 CC1=CC=C(C=C1)N2C(=O)CC2(C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4 1 4.556 2 2 -4.20370532124994 4338029 CCOC(=O)NN=C(C)C1=CC=CC=C1OC(F)F 1 2.797 2 3 -7.37157845127939 4337954 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 1 3.334 3 7 0 -14.8566263227945 4337923 COC(=O)C1=C(CCS1)NC(=O)CCCCl 1 0.623 1 3 0 -8.96736234219439 4337844 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 3.716 3 4 0 -14.056691978361 4337796 CC(=O)N1CCN(CC1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.734 4 4 0 -25.6388216473553 4337735 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCCC3=O 1 1.973 4 4 0 -24.534997084053 4337729 CC1(CC2=C(C(C(=C3N2C4=C(C5=C(S4)CCCCC5)C(=O)N3)C#N)C6=CC=C(C=C6)OC)C(=O)C1)C 1 5.531 3 3 -27.8620916867304 4337725 C1COCCN1CCC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1 1.595 4 7 0 -2.58530858874462 4337674 CCC(C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3 1 4.374 2 1 -14.7233429326268 4337633 CC1C(=O)N=C(S1)NN=C(C)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.31 4 3 0 -9.51965575756637 4337597 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)NC4=CC(=C(C=C4)Cl)Cl 1 3.279 4 4 0 -16.9099823862166 4337596 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)NC4=CC(=CC=C4)Cl 1 2.615 4 4 0 -15.7812018227246 4337594 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)NC4=CC=CC=C4 1 1.95 4 4 0 -18.5468873135817 4337593 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O 1 2.719 3 7 0 -18.6380699473917 4337556 CC1CCCCC1NC(=O)CON=CC2=CC=C(C=C2)OC(F)F 1 3.738 2 3 -5.97893287688274 4337419 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC2=NCCC2 1 0.537 4 3 0 -19.8105138004861 4337344 COC1=CC=C(C=C1)NCC(=O)NN=C(CC2=CC=CC=C2)CC3=CC=CC=C3 1 4.032 3 2 -8.95911591989228 4337321 CCN1C(=C2C(=O)N(C(=C3C(=NN(C3=O)C4=CC=CC=C4)C)S2)CC)C=CC5=CC=CC=C51 1 3.901 4 2 -2.83051458674001 4337269 C1=CC(=CC=C1C2=CC=C(O2)C=NNC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O 1 4.178 3 5 0 7.41768947510611e-002 4337242 C1CC(OC1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F 1 3.442 2 4 -16.8553574042953 4337241 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.396 3 3 -2.11097409664932 4337235 COC(=O)NN=CC1=CC(=CC=C1)OC(=O)C2=CC=CS2 1 3.047 2 4 -12.417442602234 4337234 CCOC1=C(C=CC(=C1)C=NNC(=O)OC)OC(=O)C2=CC=CO2 1 2.821 2 6 0 -12.7802745580648 4337122 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4 1 4.408 4 3 0 -14.6114501585827 4337118 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CCCC3=NS(=O)(=O)C4=CC=CC=C4N3 1 2.911 4 3 0 -7.96089928339461 4337117 CCN(CC)CCCNC(=O)C1=CN(C(=O)C2=C1C3=CC=CC=C3N2C)CC(C)C 1 2.982 4 2 -12.4593399206091 4337037 C1CCN(C1)C2=CC(=C(C=C2F)[N+](=O)[O-])Br 1 3.301 2 2 0.210812840796369 4336986 C1=CC2=C(N=C1)SC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 3.067 3 2 0.857836830139722 4336830 CC(=O)NNC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl 1 2.299 3 3 -2.69589067992258 4336826 CC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3CCCO3)C 1 3.376 1 4 -19.4731719409082 4336743 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 2.676 3 6 0 -13.8663186112262 4336737 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl 1 2.32 3 6 0 -25.2469541548422 4336613 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2CCCCC2 1 3.177 1 4 -11.0853531603141 4336564 CC1=CC2=C(C=C1[N+](=O)[O-])N=CN2 1 1.726 3 2 0 -4.38121830145624 4336560 CC(=NNC(=O)COC1=CC=C(C=C1)OC)CC2=CC=CC=C2 1 2.508 2 3 -7.070909128645 4336514 CC1CC1C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 2.338 1 3 -9.19847148352227 4336469 C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)F)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.099 2 5 0 -13.2065517261532 4336431 CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)SC 1 3.202 5 3 0 -6.81472299414864 4336396 CCC1=NN=C(S1)NC(=O)C2=CN(C3=C(C2=O)C=CC(=N3)C)CC 1 1.733 5 2 0 -14.6760407794346 4336394 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3COC4=CC=CC=C4O3 1 3.298 2 5 0 -1.59350741639736 4336380 CC1=CC(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C 1 0.434 6 4 0 -29.9637520198663 4336340 CCCCOC1=CC=CC=C1NC(=O)C2=C3C(=CS2)OCCO3 1 3.666 1 4 -8.1252495039142 4336306 CC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=CC=C(C=C2)Cl 1 3.727 1 2 -8.81179356947145 4336266 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=N3 1 0.697 3 4 0 -21.7426318255137 4336212 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=O)C(S3)CC(=O)NC4=CC=CC=C4)CCN5CCOCC5 1 2.027 6 4 0 -23.3465041826136 4336208 COC(=O)C1=CC=C(C=C1)OC2=NN3C=NN=C3C=C2 1 2.112 4 3 0 -6.15254100214419 4336178 CC1CC(NC(=S)N1CCC(=O)NC2=CC3=C(C=C2)OCCO3)(C)C 1 2.705 3 3 -14.5244009187132 4335983 COC1=CC=CC=C1CNC(=O)CN2C3=C(C=C(C=C3)Cl)OC2=O 1 2.837 2 4 -7.87798072994601 4335971 COC1=C(C=C2CN(CCC2=C1)CC(C3=CC=CC=C3)O)OC 1 3.018 1 3 -8.69227969470044 4335968 CC(C(=O)N)SC1=NN=C2N1C=CC=C2 1 1.026 4 1 0 -9.95227805816186 4335915 C1CN(C2=CC=CC=C21)C(=O)C3=CN=C4N(C3=O)C=CS4 1 0.906 3 2 0 -17.9745336857786 4335848 CC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)OC)OC)C(=O)C3=CC=CC=C3 1 4.472 1 4 -7.18639019934959 4335808 CC1=NN(C=C1CN(C)C(=O)CC23CC4CC(C2)CC(C4)C3)C 1 2.686 3 1 -4.3407682051812 4335785 C1C=CCC2C1C(=O)N(C2=O)CC(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Cl 1 2.876 4 3 0 -16.1856671966316 4335757 C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N)[N+](=O)[O-] 1 3.665 3 4 0 -8.53299818975898 4335709 C1C2CC3CC1CC(C2)(C3)C(=O)NN=CC4=CC=CO4 1 2.969 2 2 -6.70569322660176 4335680 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=S)NC(=O)C4=C(C=C(C=C4)Cl)Cl 1 5.696 3 1 -0.767906418475489 4335648 CC(=O)NC1=C2CSCC2=NN1C3=CC=C(C=C3)F 1 2.024 3 1 -1.98218395262959 4335616 CC1CC(CC(C1)(C)C)NC(=O)C2(CC2(Cl)Cl)C 1 3.353 1 1 -8.1968990287607 4335381 CCCC1C2C(C(=O)N(C2=O)C3=CC=CC=C3OCC)ON1C4=CC=CC=C4 1 3.97 2 4 -8.29527155632708 4335223 COC1=CC=CC=C1C2=NN=C(S2)SC3CCC4=CC=CC=C4NC3=O 1 4.057 3 2 -7.39044020112311 4335206 CCCC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=CS3 1 3.508 2 3 -13.0128765413327 4335145 C1=CC(=C(C=C1CSC2=NN=C(S2)NC(=O)CSC3=NC=NC4=C3NC=N4)Cl)Cl 1 3.949 7 1 0 -19.2843480512908 4335113 CCC1CCCCN1C(=O)CSC2=NC(=CC(=N2)C)C 1 2.763 3 1 -15.3714627182471 4335082 CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)COC4=CC=C(C=C4)Cl 1 4.549 5 1 -7.71640397786915 4335041 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=C(N=CC=C2)Cl 1 2.406 3 6 0 -12.3585692680104 4335039 C1CC2=C(C3=CC=CC=C3N=C2C1)C(=O)OCC(=O)N 1 1.789 2 3 0 -6.41495291181844 4334950 COC1=CC2=C(C=C1)OC(=NNC(=S)NC3=CC=CC=C3)C(=C2)C(=O)N 1 3.342 4 3 0 -8.25266390145645 4334789 CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)C(=NNC(=O)C3(CC3(Br)Br)C)C 1 3.16 3 3 -8.10683256419772 4334700 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCCC4)OC 1 4.261 2 3 -8.76818711956873 4334677 CC1=CC(=NC(=N1)SC(C)CNS(=O)(=O)C2=CC=CC=C2)C 1 2.616 3 2 -9.71752747499212 4334641 CC(=NNC(=O)CCC(=O)NC1=CC(=CC=C1)Cl)CCC2=CC=CO2 1 2.119 3 3 -7.34414258093663 4334633 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)OC2CCCCC2 1 3.832 2 4 -9.81465268351056 4334620 CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 4.021 2 2 -6.39335023310537 4334550 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4 1 2.186 3 5 0 -14.1251851853958 4334536 CC12CCC(=O)N1C(CS2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 -0.669 3 6 0 -15.0967613935124 4334410 C1=CC=C(C=C1)NN=NC2=CC=C(C=C2)Br 1 4.332 3 0 10.0158723152256 4334393 CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)ON=CC3=CC=C(C=C3)OC(F)F 1 2.426 3 6 0 -19.4849773208306 4334290 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 2.91 1 6 0 -19.121601176188 4334193 CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)COC(=O)CC3C(=O)NC4=CC=CC=C4S3 1 4.634 2 4 -11.491962928057 4334191 CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)C4=CC=C(C=C4)CO 1 3.39 1 6 0 -16.5623957644584 4334148 CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)OCC 1 1.43 3 7 0 -22.7742192866822 4334146 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F 1 1.602 3 5 0 -19.1598191384376 4334143 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC(CO)O)N3CCCCC3 1 0.561 7 2 0 -3.4940229950753 4333997 CCN1CCN(CC1)CC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-] 1 2.129 4 3 0 -6.5698774167205 4333886 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CNCC(C2=CC=CC=C2)N(C)C 1 3.038 4 3 0 -7.3894212316332 4333778 C1=CC(=CC=C1N2C(=O)C3=C(C=C(C=C3S2)[N+](=O)[O-])[N+](=O)[O-])Br 1 3.694 3 5 0 -0.717680410471885 4333647 C1=CC(=CC(=C1)F)C(=O)NN=C2C(=CC3=C(O2)C=CC(=C3)Br)C(=O)N 1 2.91 3 3 -5.44210942342877 4333644 CCC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N(CC)CC 1 3.276 4 5 0 -20.064013715614 4333556 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CCC2=CNC3=CC=CC=C32 1 3.002 3 3 -18.0599201972478 4333518 CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3C(CC4=CC=CC=C43)C 1 2.933 4 3 0 -8.9674526323314 4333481 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4 1 4.957 4 2 -16.6841365330645 4333477 CC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)N(C)C3CCS(=O)(=O)C3)C4=CC=C(C=C4)C 1 4.303 3 3 -15.0019539068884 4333346 COC1=C(C=C(C=C1)CCNC(=O)CSC2=CC3=CC=CC=C3C=C2)OC 1 4.211 1 3 -11.3189817817379 4333339 CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] 1 3.615 3 5 0 -12.9343852883406 4333298 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=NN2C3=CC(=CC=C3)Cl)C4=CC=CS4 1 4.814 4 3 0 -4.93223082472812 4333205 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C 1 2.879 3 7 0 -25.9842963452069 4333006 CC1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC)N(C)C(=O)C3=CNC(=O)C=C3 1 1.875 3 4 0 -12.0057144013599 4332883 CC(=O)NC(CC(=O)NC1CCCCCC1)C2=CC=CC=C2 1 2.608 2 2 -13.7758934346378 4332849 CC(C1=CC=CC=C1)NC(=O)COC2=CC=C(C=C2)C=NNC(=O)C(=O)NC3=CC=CC=C3Br 1 3.702 4 4 0 -17.4474346059122 4332811 CC1=CC(=CC=C1)OCCNC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 5.553 2 5 0 -1.83708305233529 4332706 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)N4CCOCC4 1 1.252 3 6 0 -20.1225623583538 4332697 C1=CC2=C(C(=C(N2C=C1)C(=O)C3=CC=C(C=C3)Br)C#N)N 1 3.238 3 1 -5.99315980651551 4332662 CCCOC(C1=CC=CC=C1)(C2=CC=C(C=C2)C(F)(F)F)C(C(=O)O)OC3=NC(=CC(=N3)C)C 1 5.473 2 4 -1.62755095226448 4332654 CC1CC2=CC=CC=C2N1C(=S)NC3=CC=C(C=C3)C(=O)C 1 4.912 2 1 -13.8969891672991 4332506 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=NN=C(S4)SCC5=CC=C(C=C5)F 1 3.018 4 4 0 -17.144405018698 4332495 CCN1CCN(CC1)CC(=O)C2=CNC3=C2C=C(C=C3)C 1 2.661 3 1 0.90832510427052 4332475 CSCCC(C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)C#N)NC(=O)C2=CC=C(C=C2)Cl 1 3.4 3 4 0 -22.2639152237905 4332346 C1=CC=C(C=C1)CN(CCO)C(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl 1 4.904 2 2 -5.99592183086072 4332273 CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)OC(=O)C)OC(=O)C 1 -3.2e-002 1 8 0 -22.9310441494279 4332270 CC1=NC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.952 2 4 -10.2711859062944 4332185 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3 1 3.403 1 5 -9.24976485644588 4332154 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)Cl 1 2.162 3 5 0 -8.75783295011376 4332153 C1=CC=C(C=C1)CCNC(=O)CSC2=NC(=CN2N)C3=CC=CC=C3 1 3.22 4 1 -10.5214657131104 4332132 C1=CC(=CC=C1C(=O)NCCCCNC(=O)C2=CC=C(C=C2)Br)Br 1 4.033 2 2 -8.44099174480356 4332121 C1=CC=C(C=C1)C=NNC(=O)CCCCCNC(=O)C2=CC=CC=C2 1 3.225 3 2 -17.2011997375628 4332067 COC1=CC(=CC(=C1)NC(=O)CC2C(=O)NCCN2)OC 1 -0.351 3 4 0 -20.6305095701625 4331924 CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4 1 4.647 2 6 0 -24.7658017325551 4331920 C1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCC3 1 4.063 2 4 -18.6572411571401 4331912 CC(C)(C)NC(=O)CCN(C1=NS(=O)(=O)C2=CC=CC=C21)N=CC3=CC=C(C=C3)N(C)C 1 2.872 5 3 0 -15.9073235108909 4331882 C1CN(CCN1C(=O)COC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 2.411 3 6 0 -26.9143464334609 4331873 CC1(C2=CC=CC=C2N(C13CC(=NO3)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5)C)C 1 4.301 3 3 -18.0580949335477 4331751 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3CCS(=O)(=O)C3 1 -0.847 2 7 0 -20.5473249285656 4331685 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCC(=O)NC2=CC(=C(C=C2)C)C 1 2.369 3 4 0 -12.5146724960608 4331669 COCCCN1C(=O)C(=CC2=CC=CC=C2OC(F)F)SC1=C(C#N)C(=O)N3CCOCC3 1 2.064 3 5 0 -12.0726518624027 4331622 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)C)N3CCCOC(C)C)C#N 1 1.019 5 3 0 -21.310165572561 4331588 C1C(N(C(=NC2=CN=CC=C2)S1)CC3=CC=CO3)(C4=CC=C(C=C4)F)O 1 3.479 3 2 1.2713709879064 4331461 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)CN2C=NC3=CC=CC=C3C2=O)OCC 1 2.292 3 6 0 -19.2490304115175 4331428 CC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5 1 4.697 3 3 -11.0887509633106 4331390 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3COC4=CC=CC=C4O3 1 1.385 2 8 0 -23.0332400007566 4331278 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=C(C=C3)Cl)C4=CN=CC=C4 1 2.704 9 2 0 -24.3631687197894 4331202 C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F)S(=O)(=O)NC4=CC=CC=C4Cl 1 5.24 4 3 0 0.787693646199822 4331111 CN1C2=C(N=C1C3=CC(=CC=C3)OCC4=CC=CC=C4)N(C(=O)NC2=O)CC5=CC=CC=C5 1 4.769 4 3 0 0.333194501037204 4331105 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 0.409 2 6 0 -23.1178706066146 4331078 C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.621 4 5 0 -12.2086943113746 4331057 C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 1.405 4 6 0 -17.1230051765058 4331018 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC(=O)NC(C)(C)C 1 2.409 2 4 -15.9140014880806 4330998 CC(C(=O)NCCC1=CCCCC1)OC(=O)CC2=CC=C(C=C2)Cl 1 4.256 1 3 -11.7473860708414 4330962 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=CC=C4Br)CC 1 5.25 4 3 0 -1.67617965146777 4330941 CCN1C(=O)CC(SC1=NC2=CC=C(C=C2)OC)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.473 4 5 0 -14.4016134924336 4330824 CC(=NNC(=S)NC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3 1 3.834 3 2 -8.5369610998221 4330749 CC1=CC=C(C=C1)C(=O)NC(=C(Cl)Cl)S(=O)(=O)C2=CC=CC=C2 1 4.133 1 3 -8.58267954285766 4330664 COC1=C(C=C(C=C1)NC(=O)CCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3 1 3.123 2 4 -20.5383164354163 4330532 CC1=CC=C(C=C1)C(=NNC(=O)CNC(=O)C2=CC=CC=C2)C 1 2.209 3 2 -14.222532782817 4330464 C1COC2(O1)C3=C(C=CC(=C3)Br)N(C2=O)CC(=O)NO 1 0.34 2 5 0 -7.10262965218485 4330368 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=C2CCN(CC2)C)C3=CC=C(C=C3)OC 1 0.827 5 5 0 -16.8390741399964 4330321 CC(C)CN1C2=C(N=C1C3=CN=CC=C3)N(C(=O)NC2=O)CC(C)C 1 2.852 5 2 0 -8.91547916672833 4330233 C1CC1C2=NN=C(S2)NC(=O)COC3=C(C=C(C=C3)Cl)Br 1 3.355 3 2 -5.57594948779361 4330210 C1COC2=C(O1)C=CC(=C2)NC(=O)CNC3=CC=C(C=C3)C#N 1 1.939 3 3 0 -13.6503078722938 4330207 CC1CCCCC1NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 1 3.537 2 3 -15.9759068450051 4330205 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CS2)C)S(=O)(=O)N3CCOCC3 1 2.052 2 6 0 -25.9289961844939 4330191 CC(C)(C)C1=CC=C(C=C1)C=NNC2=CC=C(C=C2)C(=O)O 1 4.478 2 2 1.24491090138233 4330190 CC(=NNC1=CC=C(C=C1)C(=O)O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.009 2 5 0 -5.55488826511632 4330136 CN1C(=O)CC(C1=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3 1 1.352 4 2 0 0.6721612361788 4330067 CN(C)C1(CCCCC1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CC=CO3 1 3.232 3 4 0 -14.373323081535 4329964 CCOC1=CC=CC=C1NC(=O)COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)N 1 2.364 3 5 0 -13.2390108012219 4329905 CC1=CC=CC=C1N2C(=O)C3C4C=CC(C3C2=O)N(C4=O)C 1 0.857 2 3 0 -0.257903971439426 4329871 COC1=CC=C(C=C1)N2C(C(C2=O)(F)F)C3=CC(=CC=C3)F 1 3.348 1 2 -0.322781949825807 4329797 C1CCC(CC1)NC2=NN=C(S2)SCC(=O)NC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O 1 4.196 4 3 0 -17.2983892712642 4329796 CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)S(=O)(=O)N(C)C 1 0.93 4 5 0 -22.3846575968236 4329763 CCS(=O)(=O)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C3=CC=CS3)C(=O)O 1 1.604 1 7 0 -18.3108388793503 4329762 CN(C)C=NNC(=O)C1CC2=C(O1)C=CC3=CC=CC=C23 1 1.548 3 2 0 -2.19815812770225 4329761 CC(=O)NC1=NC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC(=CC(=C3)Cl)Cl 1 3.959 4 2 -7.57657423889846 4329757 C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC3=NC=CN=C3C=C2 1 2.651 4 1 0.727442217837067 4329756 C1=CC=C(C=C1)C(CO)NC(=S)NC(=O)C2=CC=C(C=C2)F 1 3.189 2 2 -8.23518348388619 4329755 C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3Cl)CC(=O)NC4=CC=CC=C4 1 5.932 2 1 1.87422948939151 4329717 CC(C1=CC=CC=C1)NC(=O)C2=CC(=O)NC3=C2C=C(C=C3)Br 1 3.13 2 2 -11.628610036394 4329639 COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NCC3=CC=CO3)OC 1 1.064 4 6 0 -30.9596613564685 4329593 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC(=CC=C4)O 1 2.254 2 6 0 -19.8762222489499 4329588 CCNC(=O)NC(=O)C(C)OC(=O)CCS(=O)(=O)C1=CC=C(C=C1)C 1 1.47 2 6 0 -18.8577839142519 4329493 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC 1 0.717 4 7 0 -25.4517243630243 4329388 CC1=CC=C(C=C1)C=NNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 1 5.051 2 1 -3.20332706718944 4329248 C1=CC=C2C(=C1)C3=CC=CC=C3NC2=S 1 3.674 1 0 -3.03843506985837 4329181 CN1C(=C(C(=N1)C(F)(F)F)C(=O)NCC=C)Cl 1 2.134 3 1 -8.48422647641786 4329180 CN1C(=C(C(=N1)C(F)(F)F)C(=O)N(C)C)Cl 1 1.723 3 1 0 -1.42223872037437 4329176 CN(C)S(=O)(=O)OC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.706 2 4 -4.62431417430877 4329131 CCCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C23CC4CC(C2)CC(C4)C3 1 4.127 1 4 -8.71213500395035 4329094 CCC1=CC=CC=C1NC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 3.529 2 3 -2.17194668748111 4329065 CC1=C2CCCC(C2(CCC1=O)COC(=O)C)COC(=O)C 1 1.943 0 5 0 -5.02502700281274 4329048 CC1=CC(=C(C=C1)C)C(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O 1 3.486 2 3 -3.74922130506663 4329039 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-28.2902475728263 4326109 CCCCNC(=O)N(C1C(SC(=S)N1N=CC2=CN=CC=C2)(C)C)O 1 3.428 5 2 0 -7.68897967303679 4326095 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)CSC5=CC=CC=N5 1 5.728 3 2 -15.8221016296257 4326087 C1CCN(CC1)C2=CC=C(S2)[N+](=O)[O-] 1 2.714 2 2 2.08402496545309 4326085 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CS3)C(=O)CC4C(=O)NC(=O)N4 1 2.658 4 4 0 -30.5078530972332 4326034 CC1CN=C(S1)N(C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC=CC=C3 1 6.484 3 0 -6.56118850605475 4326009 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)SCC(=O)N4)C)C 1 3.909 3 4 0 -19.0031202505126 4325987 CC1=NN(C2=C1C(N3C4=CC=CC=C4N=C(C3=N2)NC5=CC=CC=C5)C6=CC(=C(C=C6)O)O)C7=CC=CC=C7 1 5.446 6 2 0 -1.1302362469014 4325939 C1=CC(=CN=C1)CN2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C3=CC=C(C=C3)F 1 1.939 4 3 0 -6.02163233587461 4325912 C1COC(=CO1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)Cl)Cl 1 3.283 1 5 -15.6437970947465 4325853 CC1=CC=CN2C1=NC(=C(C2=O)C=O)SC3=NC=CC=N3 1 1.361 4 2 0 -9.37262864382693 4325763 CC(C)C(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)NC(=O)C3=CC=C(C=C3)F 1 2.112 3 4 0 -18.1887539367409 4325759 COC1=CC=C(C=C1)C(=O)COC(=O)C2CCC(=O)N2 1 0.711 1 5 0 -15.0944086489691 4325672 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NCC(=O)NCC4=CC=CO4 1 0.891 4 5 0 -26.377032977583 4325650 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)NC2=CC=CC3=CC=CC=C32 1 3.376 2 3 -11.7167490919835 4325512 CC1=NN(C2=C1C(N3C4=CC=CC=C4NC(=O)C3=N2)C5=CC(=CC=C5)OC)C6=CC=C(C=C6)[N+](=O)[O-] 1 3.971 6 4 0 -10.0185559334063 4325481 CC1=CC=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)C 1 3.952 3 4 0 -9.41980763145914 4325421 COC1=CC=C(C=C1)C2CC(=NC3=NC(=CN23)C4=CC=CC=C4)C5=CC=C(C=C5)OC 1 5.502 3 2 2.28192606642871 4325408 COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-] 1 2.463 2 6 0 -23.3337297808873 4325349 CC1CCCCN1C(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.168 3 3 -14.0953067155631 4325332 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3CCCO3)Cl 1 1.802 2 6 0 -30.8444279547549 4325210 CCCN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SC)C4=CC=CC=C4 1 4.698 3 1 -17.7954161922977 4325202 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)N3CCCC3 1 2.046 2 3 -8.51930828139162 4325083 CCOC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC3=C(C=C2)OCO3 1 2.467 2 5 0 -7.77479918568343 4325000 CC(=NNC(=O)CNC(=O)C1=CC=CS1)C2=CC=CO2 1 1.072 3 3 0 -12.8631528014552 4324838 CCOCCCNC(=O)C(C1=CC=C(C=C1)C)N(CC2=CC=CS2)C(=O)C3=CC=CC=N3 1 3.39 3 3 -17.3533008769706 4324823 CC(CCC1=CC=CC=C1)NC(=S)NCC2=CC=C(C=C2)OC 1 4.963 2 1 -8.77725761734204 4324633 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=C(C=C4)OC)C(=O)NC5CCCC5 1 2.991 5 3 0 -18.8307138913159 4324618 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC 1 1.715 2 4 0 -9.67193433718873 4324595 CCN(CC)CCCN1C(=O)C2=C(NC1=S)N=CC=C2 1 2.429 4 1 -3.94299611807658 4324586 CN(C)CCN1C(=O)C2=C(NC1=S)N=CC=C2 1 1.669 4 1 0 -4.03947332444813 4324456 CC1=CN=C2C(=C1)C3=C(C=N2)SC=C3 1 2.409 2 0 0.802651957002518 4324409 CCC1=NN=C2N1N=C(CS2)C3=C(C=C(C=C3)Cl)Cl 1 4.051 4 0 -2.75309586793131 4324389 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N(CC(=O)OC)C2=CC3=C(C=C2)OCO3 1 -0.625 3 8 0 -23.3610575123327 4324387 CCOC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CN=CC=C2 1 1.186 2 5 0 -14.8053196494881 4324385 CC(C)C1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CN=CC=C2 1 2.048 2 4 -13.3426705919843 4324380 CN(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C(=O)N2 1 -1.351 3 6 0 -18.2039247652697 4324320 CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO 1 3.047 2 6 0 -11.2632174968107 4324298 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=NN(C(=O)C=C3)C 1 0.574 5 5 0 -19.1384529013897 4324277 CC1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)NC(=O)C4=CC5=CC=CC=C5OC4=O 1 3.818 3 3 -8.18762006068278 4324238 COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NCC3=CC=C(C=C3)F)OC 1 2.394 2 4 -18.4444251752583 4324228 COCCCNC(=O)C1CC(=O)N(C1)CCC2=CC=CC=C2 1 0.569 2 3 0 -19.8418666454989 4324225 CN(C)CCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=C(C=C2)Br 1 2.507 2 4 -9.93016765034921 4324200 CCN(CC)CCN1C(=O)C2=C(NC1=S)N=CC=C2 1 2.366 4 1 -4.48599411477008 4324186 CCOC(=O)C1=NOC(C1)CN2C=C(C(=O)N(C2=O)C)C#N 1 -0.627 4 5 0 -15.9416110539978 4324029 COC(=O)C(CC1=CC=CC=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 5.148 0 3 -6.41386038201564 4324010 CC1=CC(=CC=C1)N2C(=O)C(SC2=O)N(CC(=O)O)C3=CC=CC(=C3)C 1 4.51 2 4 -6.15214024227165 4323983 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 3.647 2 5 0 -22.8682507435306 4323932 C1CCN(C(C1)CO)C(=S)NC(=O)C23CC4CC(C2)CC(C4)C3 1 3.745 2 2 -6.94125683090807 4323925 C1=CC=C(C=C1)COC(=O)NC2=CC=NC=C2 1 2.026 2 2 -2.20030705546063 4323916 CC1=CC2=NC(=C(N2C=C1)C(=O)CSC3=CC=CC=C3Cl)C 1 4.229 2 1 -5.91592003773804 4323914 CC1=CC=C(C=C1)SCC(=O)C2=C(N=C3N2C=CC(=C3)C)C 1 4.051 2 1 -3.23731800212177 4323911 CC1CC(C(=O)O1)CC(=NNC(=S)N)C 1 0.605 3 2 0 -6.95612813874006 4323613 C1C=CCC2C1C(=O)N(C2=O)C3=CC(=CC=C3)OS(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 4.054 1 5 -7.76126785161912 4323607 CC1=NC(=C(S1)C(=O)N=CN(C)C)C(F)(F)F 1 1.588 3 1 0 -3.16460538677961 4323589 C1=CC=C(C=C1)COC(=O)NC2=CN=CC=C2 1 2.026 2 2 -2.47715507679095 4323587 CC1=CC2=NC(=C(N2C=C1)C(=O)CSC3=CC=C(C=C3)Cl)C 1 4.229 2 1 -0.950700707863781 4323529 C1C=CCC(C1C(=O)NC2=NC=CS2)C(=O)OCC(C(F)F)(F)F 1 2.044 2 3 -7.71342012926848 4323527 COC1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4OC3=O)OC(=C2[N+](=O)[O-])N 1 2.415 2 6 0 -7.51468520147539 4323468 C1=CC(=CC=C1NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=N)F 1 3.569 2 2 -1.75985241535162 4323478 CCOC(=O)C1=C(N=C(SC1C2=CC=CC=C2)NC)C 1 2.879 2 2 -14.8714463229885 4323391 CC(C(=O)NC1CCCC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F 1 1.641 2 6 0 -26.0979862763923 4323374 C1CCCC(CC1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4 1 3.807 2 3 -9.04838431860916 4323286 CC1(CC2=C(CO1)C3=NN=C(N3C(=N2)C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)OC)C 1 3.903 5 3 0 -18.3681729134237 4323260 COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N3C(=C(N=C3S2)C4=CC=CC=C4)C5=CC=CC=C5 1 6.081 2 4 -6.42955403783065 4323198 COC1=C(C=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C6=NC(=NN6C=N5)CC7=CC=CC=C7)OC 1 6.055 4 3 0 -13.5655309145921 4323178 CC1=C(N2C=CC=CC2=C1)C(C[N+](=O)[O-])C3=CC=C(C=C3)N(C)C 1 4.176 3 2 -6.36124207230182 4323142 CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)OCO3 1 2.248 1 3 -7.72179482326113 4323030 C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 4.276 4 3 0 -16.3992371349749 4323029 C1CN(CC2=C(C3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)F)CC5=CC=CC=C5 1 4.887 3 1 -4.3867558804677 4323028 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.822 3 4 0 -13.3708056353702 4323025 CCC1=NN=C(S1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=C(C(=CC(=C4C)C)C)C 1 4.723 4 3 0 -17.4842494825839 4322898 CCS(=O)(=O)N1CCN=C1SC(C)C2=CC=CC=C2 1 2.744 2 2 -14.5012438907918 4322860 CC1=C(C(=NN1CC(=O)NNC(=O)C2=CC(=CC=C2)Br)C)[N+](=O)[O-] 1 1.444 5 4 0 -11.5850028538533 4322814 CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCOCC3 1 1.893 6 4 0 -2.57781504052566 4322776 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=CNC4=CC=CC=C43 1 3.076 2 3 -10.9729162423641 4322755 COC(=O)C1=C(SC2=C1CCC2)NC(=O)CCCC(=O)O 1 1.82 1 5 0 -24.3553146309942 4322751 CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCC(=O)O 1 3.149 1 5 -21.5463123772754 4322639 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-] 1 3.701 6 6 0 -14.2217139334414 4322543 CCOP(=O)(C1=CC=CC=C1OCP(=O)(C)COC2=CC=CC=C2P(=O)(OCC)OCC)OCC 1 3.355 0 9 0 -2.07920645580991 4322480 COC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=CC=C3)CN4CCOCC4 1 2.423 2 3 -2.6842462168144 4322478 CC1=NN2C=C(C=NC2=C1)C(=O)N=CN(C)C 1 -0.235 5 1 0 -5.83707675249187 4322354 CC1=CC(=C(C=C1)NC(=O)C2CCCO2)Br 1 2.517 1 2 -12.1355711700077 4322336 C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CS4 1 4.262 2 1 -10.565156299807 4322335 COC(=O)C1=CC(=CC=C1)CN2C(=C(SC2=O)C=NNC(=O)C3=CC=CO3)Cl 1 2.828 3 5 0 -7.35862101479632 4322288 CC1=C(SC=C1C(=O)NNC(=S)NC(C)C2=CC=CC=C2)C 1 3.674 3 1 -8.83801136271212 4322219 CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NN=CC2CC3CC2C=C3 1 2.935 3 2 -12.1388838440517 4322207 CC1=C(C=C(C=C1)NC(=S)NCC2=CC=CC=C2)[N+](=O)[O-] 1 4.476 3 2 -10.8934976370847 4322148 C1=CC=C(C=C1)C(=O)NNC2=NC3=CC=CC=C3N=C2C(F)(F)F 1 3.373 4 1 -1.43433076432749 4322131 COC1=C(C(=CC=C1)OC)C(=O)NC(=S)N2CCCCC2C3=CN=CC=C3 1 3.793 3 3 -6.34441849167115 4322118 CC1=CC2=C(C=C1)N3C(=O)NC(N=C3S2)(C4=CC=CC=C4)C(F)(F)F 1 5.218 3 1 -1.75290464013536 4322113 CC(=O)OC1=C(C2=CC=CC=C2C=C1)C(C3=CC=C(C=C3)Cl)NC(=O)CC4=CC=CC=C4 1 5.609 1 3 -6.05508149029395 4322112 CC(=NNC(=O)C1=CC=CS1)C2=CC(=CC=C2)NC(=O)C3CC3 1 2.495 3 2 -9.791889702892 4322106 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3=CC=CC=C3Cl)OC 1 2.985 2 4 -5.88009494522509 4322092 CCOC(=O)CC(=NNC1=NC(=CS1)C2=CC=CC=C2)C 1 2.447 3 2 -1.84990938760158 4322089 C1=C(C=NC(=C1Cl)NCCCC(=O)NN)C(F)(F)F 1 1.565 4 1 0 -1.59659143497919 4322088 CN(C)S(=O)(=O)OC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.092 2 4 -8.47687695418368 4322030 CC1(CC2=C3C4=C(C(=O)N(C=N4)C)SC3=NC(=C2CO1)N5CCOCC5)C 1 2.008 4 3 0 -14.6893733926873 4322020 CC1=C(SC(=C1C(C2=CC=C(C=C2)F)N3CCN(CC3)C)NC(=O)C4=CC=CO4)C 1 4.276 3 2 -6.06477228436842 4321963 CC(=NNC(=O)C1=CC=C(C=C1)F)C2=CC=C(C=C2)N3CCOCC3 1 2.719 3 2 -7.05935842355488 4321955 CC1=NN(C(=C1C=NNC2=CC(=C(C=C2)Cl)C(=O)O)Cl)C3=CC=CC=C3 1 4.711 4 2 -0.608802916032924 4321921 C1CCC2=NN=C(N2CC1)C(=NNC3=CC=CC4=CC=CC=C43)C#N 1 3.767 6 0 -8.14093584964048 4321852 C1CSC(N1C(=S)NC2=CC=CC(=C2)C(F)(F)F)C3=C(C=C(C=C3F)F)F 1 6.822 2 0 -8.95825681065177 4321847 CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)C 1 3.065 6 3 0 -2.8559741853504 4321767 C1CC(OC1)CNC(=O)C2=CC3=CC=CC=C3N=C2Cl 1 2.456 2 2 -8.1887676700886 4321730 CC1CCCCN1C2=C(C(=NC=N2)N)[N+](=O)[O-] 1 1.734 5 2 0 -3.97803970326777 4321627 COC1=CC=C(C=C1)CC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.928 1 4 -13.1003086648485 4321619 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)Cl 1 1.758 3 3 0 -7.35808507182187 4321610 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC(CC(=O)O)C(=O)O 1 0.356 2 7 0 -27.0911349450407 4321574 CC1=CC=C(C=C1)N(CN2CCCC2=O)C(=O)C3=CC=CC=C3 1 2.942 2 2 -14.0666668216 4321515 C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3C(=N2)NC(=O)C5=CC=C(C=C5)F 1 4.555 4 1 -6.33372703287814 4321480 CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4 1 3.376 2 3 -11.7101067470598 4321479 CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5C)C 1 4.279 3 3 -1.9823675361814 4321476 CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)N(CC=C)C4=CC=CC=C4 1 3.87 2 3 -13.1563733760019 4321421 CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)C(=NNC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-])C 1 2.107 6 5 0 -8.80175990059831 4321359 C1=CC=C2C(=C1)N=C(S2)C3=CSC(=N3)NC(=O)C4=CC=CO4 1 3.444 3 2 2.84683330375672 4321221 CC1=CC2=CC=CC=C2N1CCNC(=O)C3=CC=C(O3)Br 1 3.294 2 2 -11.9863381284391 4321169 CS(=O)(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC(=CC=C3)O 1 1.372 3 4 0 -7.29790036730024 4321190 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2CCC(CC2)C(C)(C)C 1 5.111 1 3 -16.709635718985 4321081 C1CC(=C(C#N)C#N)NC2=CC=CC=C21 1 2.052 3 0 -2.47319525232224 4321065 CCOP(=S)(N1CCOCCOCCN(CCOCCOCC1)P(=S)(OCC)OCC)OCC 1 1.094 2 8 0 -4.33106895818796 4321047 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC 1 4.271 3 7 0 -18.2346574146751 4321036 CC1CCN(CC1)C(C2=CC=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CO4 1 5.282 2 2 -13.1773913685763 4321001 CC1=C(C(NC(=S)N1C)C2=C(C=CC(=C2)OC)OC)C(=O)OC 1 2.856 2 4 -16.5960565869777 4320928 CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C)OC)OC)C 1 3.838 1 4 -13.837691751306 4320927 CCCCNC(=S)N1CCN2C=CC=C2C1C3=CC=C(C=C3)F 1 5.226 3 0 -16.883511124495 4320917 CCN(CC)S(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 0.69 3 5 0 -20.1769455116625 4320878 C1CN(CCC12OCCO2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCC5(CC4)OCCO5)F 1 0.696 2 7 0 -22.1842455220483 4320874 COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4(CC3)OCCO4)F)OC 1 2.297 2 7 0 -27.0089455902825 4320873 C1CN(CCC12OCCO2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NCCC4=CC=CC=C4 1 2.33 2 5 0 -23.2728416533273 4320870 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NC2CCN(CC2)C(=O)OCC 1 1.42 3 5 0 -18.4603390311419 4320853 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CC1=CC(=O)N(C(=N1)N=CN(C)C)CC2=CC=C(C=C2)F 1 1.283 4 1 0 -1.60573305976383 4318555 C1=CC=NC(=C1)SC(C#N)C2=C(C=C(C=C2)Cl)Cl 1 4.538 2 0 0.348641982376847 4318488 C1=CC(=CC=C1[N+](=O)[O-])OCN2C=NC=N2 1 1.304 4 3 0 -6.61118755818531 4318451 C1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=NC=C4 1 2.059 9 2 0 -24.1224793179787 4318437 CC1(CC(=O)C(C(=O)C1)C2C3=CC(=C(C=C3CCN2C(=O)CCl)OC)OC)C 1 2.267 1 5 -16.6692144987682 4318402 CC(=NOC)C(CC1=CN=C(C=C1)Cl)CC2=CN=C(C=C2)Cl 1 3.554 3 1 -0.685975199649422 4318356 CC1=CC(=C(C(=C1)C)OCC(=O)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3)C 1 3.629 1 4 -15.5066436681569 4318329 CCOC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OC)C4=NC5=CC=CC=C5N=C42 1 5.52 3 2 -3.65392541357984 4318326 CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(C(=O)OC(C)C)NC(=O)C 1 2.585 2 4 -11.8919514109578 4318318 CC1=CC=C(C=C1)N2C(=C(C=N2)[N+](=O)[O-])NC 1 2.37 4 2 -3.27118789302091 4318316 CC1=NOC(=C1C#N)NC(=O)C2=CC=CC=C2Cl 1 2.019 3 2 -9.78163421347002 4318310 CC1=C(N=C(S1)CC2=NC(=CS2)O)C3=CC=CC=C3 1 3.497 2 1 0.776352700254894 4318284 CCCC(=O)OC1CCS(=O)(=O)C2=C1C=CS2 1 1.949 0 4 0 -11.8036490066549 4318279 COC(=O)C1=CN2C=C(N=C2C=C1)C3=CC4=C(C=C3)OCO4 1 2.14 2 4 -2.5072611975542 4318203 COC1=CC=C(C=C1)C=NOCC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)C=CC6=CC=CC=C65)C7=CC=CC=C7 1 5.754 5 3 0 -6.52575869275807 4318206 CC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCCCC3 1 3.232 2 1 0.760987776398818 4318242 CC1=C(C(=CC=C1)OC2=NC=NC3=C2C(=NO3)C)C 1 3.258 3 2 1.98108447867295 4318238 C1COCCN1C(=O)C2=CC=CN(C2=O)CC3=CC=C(C=C3)C(F)(F)F 1 1.469 2 3 0 -5.37721403966811 4318231 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)F)F)F)C(=O)O 1 2.442 3 4 0 -12.8011424676983 4318230 CN(C1CCS(=O)(=O)C1)C(=S)SC 1 1.712 1 2 0 -11.6531179050469 4318215 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C=CSC3=N 1 1.391 4 3 0 -24.7576264609069 4318214 CC(C1CC2CCC1C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N4CCCC4 1 3.02 3 3 -11.9592579118523 4318162 CC1=CC=C(C=C1)C(=O)NNC(=O)C(C(C)C)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.711 3 5 0 -20.1832462504287 4318156 C1C(N1C2=CC=CC=C2C(F)(F)F)C3=CC=NC=C3 1 3.214 2 0 4.03790376319166 4318135 C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC=CS3)[N+](=O)[O-] 1 1.356 4 4 0 -10.3974944943206 4318035 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)N3CCC4=CC=CC=C43 1 2.209 3 3 -13.104291983681 4318024 CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)OC)C(=O)N1 1 0.853 3 4 0 -21.2201163152452 4318021 CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 3.307 1 5 -17.2845996488588 4317973 C1=CC(=CC=C1C=O)OC(=O)CCCCC(=O)OC2=CC=C(C=C2)C=O 1 3.676 0 6 -11.4649771886667 4317939 CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C 1 2.862 4 4 0 -26.3884290625728 4317937 CCN(CCC#N)C1=CC(=C(C=C1)C=NNC2=NC(=O)C=C(N2)C)C 1 2.383 6 1 0 -16.8154116639642 4317909 COC1=CC=C(C=C1)CCN2C(C(C2=O)OC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5 1 4.301 1 5 -2.92422608663754 4317893 CC1=C(SC=C1)C(=O)OCC(=O)NC2CCS(=O)(=O)C2 1 0.692 1 5 0 -20.6177596219541 4317885 CC1=CC(=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3CCS(=O)(=O)C3)C 1 1.84 4 3 0 -23.0230689785984 4317861 CC1=CC(=C(C=C1)C)S(=O)(=O)NNC(=O)C2=C(N=C(S2)NS(=O)(=O)C3=CC=CC=C3)C 1 2.605 4 5 0 -10.9809227455858 4317736 COC1=CC=C(C=C1)C2CC(=CC(=O)C2C(=O)OC)NC3=CC=C(C=C3)F 1 3.55 1 4 -5.01829210220427 4317734 CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)OC2=CC(=CC=C2)Cl)C3=CC=CC=C3 1 3.904 5 5 0 -0.878236405117621 4317730 CCCN1C(=O)NN=C1SCC(=O)NC(C)C2=CC=CC=C2 1 2.51 4 2 -21.2944067176942 4317690 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=O)N2O 1 3.17 2 2 7.84045142743089 4317660 CC1(CC2(CCO1)C(CC(=O)O2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C 1 1.589 2 6 0 -8.37608393242396 4317586 COC(=O)C1=C(N(C2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)C5=CC=CC=C5C(F)(F)F)N 1 4.294 2 5 0 -23.9018559069204 4317583 CC1CN(CC(O1)C)C2=NC(=NC(=C2)C)C(C)C 1 1.942 3 1 0 -6.64047011771967 4317510 C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)S(=O)(=O)C3=CC=CS3 1 0.402 3 7 0 -21.7141527049874 4317413 C1=CC(=CC=C1C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)Br)F 1 2.973 3 2 -7.6645729585531 4317294 CN1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl 1 2.342 3 4 0 -2.29621354272535 4317267 C1=CC(=CC=C1C2C=C(NC(=O)N2)C(=O)O)[N+](=O)[O-] 1 0.489 3 5 0 -10.5649584396537 4317247 C=CCN(CC=C)CC(=O)NC1=CC(=CC=C1)OC2=NC=CN=C2 1 1.988 4 2 0 -11.2612050400103 4317185 CC1=CC=C(C=C1)C2CC(=NN2CN3C4=CC=CC=C4C(=O)C3=O)C5=CC=C(C=C5)OC 1 4.237 3 3 5.19148216063028 4317171 C1=CC=C(C=C1)N=C2C3=C(C=C(C=C3N(N2C4=CC=CC=C4)O)[N+](=O)[O-])[N+](=O)[O-] 1 3.713 5 5 0 0.639156391607827 4317146 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CCOC)C3=CC=CC=C3 1 2.049 3 5 0 -16.9051933638213 4317096 CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)Br)C(=O)C 1 1.935 1 2 0 -15.4892089467838 4317073 CC1(C(=O)NC2=C(O1)C=CC=N2)C(=O)O 1 0.15 2 4 0 -5.82670047448809 4317067 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 1 2.537 3 5 0 -34.0279025784853 4317023 C=CC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N3C=NC=N3 1 2.953 3 1 -4.24452123959288 4316970 C1CCC2=NS(=O)(=O)NC(N2CC1)C3=CC=CC=C3 1 1.569 3 2 0 -5.27642317094455 4316969 CC1=NNC(=NC1=O)SC(C2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)Cl)Cl 1 4.236 4 2 -15.0007258933085 4316907 CC1=NOC2=C1C(=NC=N2)OC3=CC=CC=C3Cl 1 2.95 3 2 -0.149909874241864 4316878 CC(=NNC1=C(C=C(C=N1)Cl)Cl)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 3.823 4 3 0 -3.52092090834224 4316874 C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 2.53 3 2 -11.4920541736233 4316847 CC(C(=O)NCC1CCC(CC1)C(=O)O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl 1 4.943 1 6 0 -16.4107909118305 4316804 CC(C)CC(C)NC(=O)C1=CC=C(C=C1)C(F)(F)F 1 3.938 1 1 -6.40591615202866 4316713 CCCCC1C2C(C(=O)N(C2=O)C3=CC=CC=C3)ON1C4=CC=CC=C4 1 4.094 2 3 -7.07632961708303 4316674 CN(C)CC(COC(C1=CC=CC=C1)C2=CC=CC=C2)O 1 2.874 1 2 -5.08073000279707 4316568 COC(=O)CC1=CC2=C(C=C1)OC(=N2)C3=CN=CC=C3 1 2.02 2 3 2.52735574949409 4316567 C1CC1NC(=O)C2=C(C=CS2)N3C=CC=C3 1 2.357 2 1 -8.78687316785801 4316547 C1=CN(N=C1)C2=NC=C(C=C2)C(=O)NCC3=CC=C(C=C3)Cl 1 2.901 4 1 -4.94431595278066 4316546 COC1=CC(=C(C=C1)NC(=O)C2=CN=C(C=C2)N3C=CC=N3)OC 1 2.196 4 3 0 -8.35902510755034 4316545 CN(C)S(=O)(=O)OC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)F)F 1 2.175 2 4 -8.4923551044735 4316544 CN(C)S(=O)(=O)OC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)F 1 1.969 2 4 0 -8.18085551194347 4316447 CN(C)S(=O)(=O)OC1=CC=CC=C1C(=O)OC 1 0.834 1 5 0 -7.8581002982306 4316442 C1=CC(=CC=C1NC(=O)C2=CN=C(C=C2)N3C=NC=N3)OC(F)(F)F 1 3.665 5 2 0 -6.74849006572363 4316363 CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C(=C(C=C3)Cl)Cl)Cl 1 4.609 2 1 -0.198289311131397 4316317 CCOC1=C(C=CC(=C1)C=NNC2=NC=C(C(=N2)N3CCOCC3)F)OC4=NC(=NC=C4F)Cl 1 3.242 7 3 0 -7.67436930721153 4316236 CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC(C)C3=CC=CC=C3 1 2.975 5 2 0 -24.7558265886182 4316225 CC(C)CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)N(C)C)NC3=CC=CC=C3 1 6.371 3 2 -10.3929406040457 4316178 CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC=CS2 1 3.113 3 2 -11.8381098605328 4316111 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C=C(C=CC3=O)C(F)(F)F 1 0.225 3 5 0 -22.3063406651618 4316078 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)N(C)C)C3=CNC4=CC=CC=C43 1 4.657 3 4 0 -12.115565850049 4315984 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3F)C(=O)C4=CC=CO4 1 2.928 3 4 0 -11.057178539731 4315981 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)C3=CC=CS3 1 3.602 2 2 -9.27423330582938 4315951 CC1=CC=C(C=C1)C(=O)C2(C3C2(C(=O)OC4=C3C=C(C=C4)Br)C(=O)C5=CC=CO5)C 1 5.15 0 5 -2.99306063733813 4315933 C1=CC=C(C=C1)CNC(=S)NC2=CC3=CC=CC=C3C=C2 1 5.004 2 0 -5.82026563442391 4315907 CC(C)CCNC1=NC(=C(C(=N1)NC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-])N 1 2.595 6 4 0 -4.00023341319798 4315883 C1=CC=C(C=C1)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)N 1 3.895 3 0 5.0550584067904 4315814 CCC(C(=O)NC1=NN=C(S1)CC(=O)OCC)SC2=NC(=O)C=C(N2)C 1 1.732 5 4 0 -29.2872319621805 4315810 CC(CCC1=CC=CC=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 2.31 3 7 0 -26.4520384677476 4315738 CC(C)CN(CC(C)C)CC(CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O 1 4.429 3 5 0 -12.1912713213781 4315652 CC1=CC(=CC(=C1)NC(=O)C(=O)NCCC2=CNC3=CC=CC=C32)C 1 3.475 3 2 -13.402290271035 4315612 CC1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC=CC=C2C#N)O 1 2.842 1 4 -10.0720586391442 4315384 CC1=C2C(C(C(CC2=NO1)(C)O)C(=O)C)C3=CC=C(C=C3)OC 1 1.74 1 4 0 -10.7100323145495 4315072 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)NC3=CC=C(C=C3)SC(F)F 1 3.219 2 5 0 -17.3043006311428 4314979 CCOC(=O)C1CCCC2=C1NC3=C2C=C(C=C3)C(=O)OCC 1 3.891 1 4 -9.67144670296743 4314957 CC(C)C1=CC=C(C=C1)CNC(=O)C(=O)NCC2CCCO2 1 1.864 2 3 0 -14.0858873364076 4314943 C1CCC(C(C1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O 1 3.88 1 3 -9.34532849712972 4314906 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)COC3=CC=CC=C3 1 2.114 3 5 0 -18.0790862275244 4314835 CC1=CC=C(C=C1)NC(=O)C(=O)C2=CC=CN2C3=C(SC4=CC=CC=C43)C(=O)OC 1 5.162 2 4 -2.42419094116589 4314832 CON=C(CNC(=O)C1=C(C=C(C=C1)Cl)Cl)C2=CC=C(C=C2)Cl 1 4.393 2 2 -2.61963637410812 4314831 CON=C(CNC(=O)C1=CC=CC=C1Cl)C2=CC=C(C=C2)Cl 1 3.729 2 2 -5.79198878127983 4314830 CON=C(CNC(=O)C1=CC(=CC=C1)Cl)C2=CC=C(C=C2)Cl 1 3.729 2 2 -2.87092634121216 4314829 CON=C(CNC(=O)C1=CC=C(C=C1)F)C2=CC=C(C=C2)Cl 1 3.27 2 2 -3.04549861669236 4314823 CC1=CC=C(C=C1)N2C(C(C2=O)CN3CCCCC3)C4=CC=CC=C4 1 4.155 2 1 -6.3724285876175e-002 4314822 CC1=CC=C(C=C1)N2C(C(C2=O)CN3CCCC3)C4=CC=CC=C4 1 3.699 2 1 0.290744228291904 4314821 CC1=CC=C(C=C1)N2C(C(C2=O)CN3CCOCC3)C4=CC=CC=C4 1 2.926 2 2 -2.46233049678826 4314757 CCOCCCNC(=O)C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2O 1 1.855 2 4 0 -16.7066262208308 4314667 CCCNC1=NC(=NC(=C1)COC)C2=CC=CC=C2 1 2.438 3 1 2.75982675519886 4314664 CC1=C(SN=N1)SC(C)C(=O)O 1 1.289 2 2 0 -10.0343394724296 4314646 CN1C(=C(C(=O)N(C1=O)C)C(C[N+](=O)[O-])C2=CC(=C(C=C2)O)OC)N 1 0.599 4 6 0 -8.17274424275921 4314621 CC(=O)C1=C(CC2C1C2(C)C)NC(=O)C3=CC=C(C=C3)C(=O)NC4=C(C5C(C4)C5(C)C)C(=O)C 1 2.199 2 4 -9.85623301647221 4314561 C1CC(OC1)CNC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=C(C=CC(=C4)Cl)Cl 1 3.883 4 3 0 -6.7150904123773 4314554 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC 1 1.801 2 6 0 -29.2639519831876 4314514 CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 4.693 1 6 0 -9.90135365639092 4314496 CC(=NNC(=S)NC1=CC=CC=C1)C2CC3=CC=CC=C3C(=O)O2 1 3.974 3 2 -9.18948080550576 4314477 C1=CC=C(C=C1)CC2=NN=C(O2)SCC3=NC(=O)C4=CC=CC=C4N3 1 2.762 4 2 -17.4933748997936 4314456 CCCC1CC(N(C1=C(C#N)C#N)N(C)C)C#N 1 1.074 5 0 0 -3.57335033993894 4314404 CC1=CC(=C(N1CC2CCCO2)C)C3=NN=C(SC3)NCCOC 1 1.966 4 2 0 -17.9724572032975 4314323 CCN1C(=O)C2=CC3=C(CC(OC3)(C)C)N=C2N=C1SCC(=O)NC4=CC=CC(=C4)C 1 3.053 4 3 0 -20.9743305573101 4314212 CCOC(=O)CC(C)(C)C(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C 1 2.843 4 6 0 -10.9257922315888 4314194 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O)S(=O)(=O)N5CCOCC5 1 1.641 4 6 0 -19.0857473402085 4314187 COCCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 2.731 2 5 0 -16.3735733009378 4314145 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=NN2)CSC3=CC=CC=N3 1 2.916 5 2 0 -13.3315905119571 4314117 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3C(=O)N 1 1.499 4 2 0 -5.70526548464389 4314100 CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)N(C2CCCCC2)C3CCCCC3)[N+](=O)[O-] 1 4.108 3 6 0 -18.7386798560697 4314097 CCN(C1CCCCC1)C(=S)NC(=O)C2=CC=CC=C2Br 1 5.403 2 1 -8.65558966424487 4314012 CC1(C2CCC1(C(=NN=CC3=CC(=C(C=C3)OC)O)C2)C)C 1 3.723 2 2 2.75812417457955 4313935 C1=CC(=CC=C1C(=O)N)NC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-] 1 0.952 4 4 0 -6.84276716364566 4313925 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.417 2 5 0 -20.0224282240762 4313864 CCOC1=CN=C(O1)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 3.32 2 3 3.08250938426692 4313819 CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=N3)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.969 5 3 0 -10.3614214711415 4313814 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=CS3 1 1.356 2 5 0 -22.2109412723428 4313813 CCOC(=O)COC1=CC(=NC2=NC(=CN12)C3=CC=CC=C3)C 1 2.993 3 3 -5.89291531306011 4313811 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NCC=C 1 2.186 3 2 -7.7514910479005 4313809 COC1=CC(=C(C=C1)OC)C=NN2C(=O)C=C(N=C2N)C(F)(F)F 1 2.033 4 3 0 -1.81435008188024 4313746 CC1=CC=C(C=C1)C(CCC2=CC=C(C=C2)N)O 1 3.354 1 1 2.03223576204587 4313744 CC1=CC2=C(C=C1)OCC(N2S(=O)(=O)C3=CC=C(C=C3)F)C(C)(C)C 1 4.511 1 3 -6.82045027253302 4313716 CC(C)C(CCNC(C)C1=CC=CC=C1)C2=CC=C(C=C2)OC 1 5.049 1 1 1.41753485976484 4313695 C1CN(CCC1C(=O)NN=CC2=CC(=CC=C2)C(F)(F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.255 4 1 4.42396972703064 4313693 CCOC(=O)C(C)SC1=NC=C(C(=N1)SC2=CC=C(C=C2)Cl)OC 1 4.959 2 3 -3.31299743822997 4313662 CC1=CC(=C(C=C1)C)C(=O)CC2=CC3=C(C(=CC=C3)OC)OC2=O 1 4.255 0 4 -1.59958882425962 4313650 C1CCC(C1)NC(=O)NC(=O)COC2=C(C=C(C=C2)Cl)Br 1 3.468 2 3 -4.45621990829537 4313626 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2CCOCC2)Cl 1 0.425 3 4 0 -12.3323070587841 4313559 CC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)OC 1 1.494 5 2 0 -5.15244416744768 4313557 CCCNC(=O)C1=CN=C(N1C)SC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.95 4 1 -4.09148123082427 4313551 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3 1 0.573 5 3 0 -31.1792119006846 4313526 CC1=CSC(=N1)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)Cl 1 3.073 3 3 -8.58083744852774 4313454 CC1=CC=C(C=C1)C2N(C(CS2)C(=O)O)C(=O)C3=CC=C(C=C3)F 1 3.768 1 3 -9.11613570302714 4313411 CC(C)(C)CC1=NN=C(S1)NC(=O)CCC2CCCCC2 1 4.094 3 1 -15.8671746186736 4313384 C1COC(=O)C1OC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 1.967 1 6 0 -5.13943923115235 4313380 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)F)C3=NC=CS3)O 1 1.491 2 3 0 -16.5223426071421 4313322 CN1C2=C(C(NC1=O)C3=CC=CC=C3)C(=O)N(C2)CC4=CC=CO4 1 1.064 3 3 0 -14.5577573773042 4313265 C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)Cl 1 2.451 1 6 0 -16.2623612221637 4313203 CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 3.001 4 5 0 -13.5900488987537 4312940 CC1CCCC(C1C)NC(=O)COC2=C(N=C(C=C2)C)[N+](=O)[O-] 1 2.868 3 4 0 -11.748283850787 4312800 CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)Cl 1 1.394 5 5 0 -21.3529096316663 4312795 CC(C(=O)O)SC1=NC2=CC=CC=C2N=C1 1 2.34 2 2 -3.95986243654409 4312765 CN(C1=NS(=O)(=O)C2=CC=CC=C21)N=CC3=CC=C(O3)Br 1 2.434 3 3 -6.05337236417975 4312760 COC1=C(C=C(C=C1)C(=O)NNC2CC(=O)N(C2=O)CC3=CC=C(C=C3)Cl)OC 1 1.88 3 5 0 -10.5833453543043 4312744 CCOC1=CC=C(C=C1)C=NNC2=CC(=O)N(C(=O)N2C)C 1 1.518 4 3 0 -9.5218534825873 4312670 CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OC 1 2.742 1 2 -8.5262624416845 4312589 C1=CN(C(=C1)C(=O)NCC#N)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.931 4 1 -2.79250199465958 4312580 CC1=CC(=NC2=NC(=NN12)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=CC=C4)C 1 2.385 6 3 0 -18.6764248204531 4312534 COC1=CC(=CC(=C1)C(=O)NC(C(=O)O)C23CC4CC(C2)CC(C4)C3)OC 1 3.096 1 5 -15.7347996853551 4312487 COC1=CC=C(C=C1)C(=O)NOCC2=CC=CC=C2 1 2.451 1 3 -0.818123056499403 4312397 CC1=CC=CC=C1NC(=O)C(=O)NCCC2=CNC3=CC=CC=C32 1 2.988 3 2 -15.5199759703564 4312367 C1=CN(C=C1)C2=NC=CC(=N2)C3=CC=C(S3)Cl 1 3.807 3 0 4.71694149025673 4312365 CC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(C)C 1 1.043 5 3 0 -3.33483524000923 4312164 CC(C)NC(=O)NC(=O)CSC1=NN=C(N1C(C)C2CC3CCC2C3)COC4=CC=CC=C4F 1 4.257 5 3 0 -17.7456886743932 4312133 CCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)NN)C 1 1.774 4 1 0 -8.35594230271423 4312030 CC(=NNC(=O)CNC(=O)C1=CN=CC=C1)C2=CC=C(C=C2)OC 1 0.556 4 3 0 -15.8230122346467 4312027 CCN(CC)C1=CC=C(C=C1)NC(=O)COC(=O)C23CCC(=O)N2C4=CC=CC=C4S3 1 3.108 3 4 0 -11.2207584780114 4312000 CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCCN(C)C)C#N 1 4.162 5 0 -8.83672968773796 4311920 C1CC(OC1)CNC(=S)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.583 4 5 0 -29.7111304422372 4311901 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4 1 2.509 4 4 0 -24.2353105712203 4311894 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)N4CCCCC4 1 2.985 3 4 0 -18.9383126060536 4311744 CC(C)C(C)NC(=O)COC1=CC=CC(=C1)NC(=O)C 1 1.563 2 3 0 -10.45410221035 4311729 C1=CC=NC(=C1)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.731 4 2 0.77816658042134 4311727 C1=CC=NC(=C1)NN=CC2=CC=C(C=C2)Br 1 3.585 3 0 3.64935337617767 4311725 C1=CC=NC(=C1)NN=CC2=CC=C(C=C2)Cl 1 3.501 3 0 5.10601312127911 4311627 CC1=C(C=C(C=C1)NC(=O)CCC(=O)NN=C(C)C2CC2)C 1 2.056 3 2 -11.9784771936152 4311607 CC(=NNC(=O)CNC(=O)CC1=CC=C(C=C1)Cl)CC2=CC=CC=C2 1 2.448 3 2 -11.0033937428077 4311600 CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2(C(CNC2=O)C3=CC=CO3)C(=O)OC 1 2.198 2 6 0 -8.3300678107454 4311568 CC1=CC(=CC=C1)NC(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C 1 4.904 4 1 -13.4835472926198 4311525 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C 1 2.875 2 2 -8.26096787128236 4311510 CCC(C)(C)C1CCC(=NNC(=S)NC2=CC=CC=C2)CC1 1 5.433 3 0 -12.7571485566888 4311485 CC1=CC=C(C=C1)C(=O)NNC2=NC(=O)CC(S2)C(=O)NC3=CC(=CC=C3)OC 1 2.629 4 4 0 -8.06484888661274 4311432 CC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OC)C#N 1 4.406 3 3 -35.4549411572893 4311375 CC1=CC=CC(=C1)C(=O)C2CCOC(C2)(C)C 1 2.995 0 2 -4.74869846063537 4311334 CCOC(=O)CCCNC(=O)COC(=O)C1=CC(=C(S1)Br)Br 1 2.64 1 5 -22.7839743330862 4311300 CC1=C(C(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C)Cl 1 1.099 6 4 0 -25.3950136189958 4311274 CC1=C(C=C(C=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2)S(=O)(=O)N4CCOCC4 1 1.693 2 6 0 -19.6723647847197 4311200 CN1C=NC(=C1SC2=NNC(=N2)N)[N+](=O)[O-] 1 0.675 7 2 0 -1.21489575640109 4311186 COC(=O)C1CSC(N1C(=O)CN2CCN(CC2)C3=CC=CC=C3)C(=O)OC 1 1.615 3 5 0 -5.04198219493891 4311143 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3N4CCOCC4)Cl 1 2.707 3 4 0 -19.505567249381 4311068 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC34CC5CC(C3)CC(C5)C4 1 3.047 2 3 -14.3916656914073 4310975 CC1CCCC2=C1C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)C)SCC(=O)O 1 5.202 2 3 -27.0664928187595 4310916 C1CC2=C(C3=CC=CC=C31)NC(=O)NC2C4=CC=CC=C4 1 3.045 2 1 -15.4260416963579 4310862 CCCN=C(C1=CN=CC=C1)NC2=CC=C(C=C2)Cl 1 3.261 3 0 -2.56653316575999 4310744 CC1CCCC(N1C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CS3)C 1 3.676 2 4 -18.004936696613 4310690 C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C(=O)NC(=O)C=N3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 1 3.698 3 9 0 -23.0955132540819 4310630 C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC=C(C=C3)N4C=NN=N4)O 1 0.521 5 3 0 -21.2649299536781 4310629 CCOC(=O)CC(C1=CC=C(C=C1)C)NC(=O)C2=CC=CC=C2F 1 3.646 1 3 -11.5529654814924 4310617 CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCC2=CC=CO2 1 2.97 2 3 -8.66977263083232 4310616 C1=CC(=CC=C1CN2C=C(C=CC2=O)C(F)(F)F)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 5.037 2 2 -4.1857289066408 4310526 C1=CC=C2C=C(C=CC2=C1)OCC(CNCCC3=CC=C(C=C3)C(F)(F)F)O 1 4.661 1 2 7.48790483390766 4310515 C1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NN 1 1.733 4 2 0 -13.5880282963386 4310513 CC1=NN=C(N(C1=O)N)NN 1 -1.844 6 1 0 -2.83873114985774 4310460 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)SCC(=O)NC3=NN=C(S3)C(F)(F)F 1 3.524 4 3 0 -13.8308468840124 4310419 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.021 5 4 0 -33.0832232341402 4310216 CCNC(=O)CN1C(=O)C2(CCOC3=CC=CC=C32)NC1=O 1 0 3 4 0 -9.7316833961776 4310210 CC1CCCN(C1)C(=S)NC2=CC=C(C=C2)CC(=O)OC 1 4.174 2 2 -16.286918913155 4310204 CCCOC1=CC=C(C=C1)NC(=O)C2C3C(C4C(O2)OC(O4)(C)C)OC(O3)(C)C 1 1.095 1 7 0 -19.631125189185 4310073 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)OCCCNC3=NS(=O)(=O)C4=CC=CC=C43 1 2.122 3 5 0 -11.2226366908522 4310059 CC(=O)OCC1C(C(C(O1)N2C(=O)N(C(=O)C=N2)CC3=CC=CC=C3)OC(=O)C)OC(=O)C 1 0.495 3 9 0 -21.72665993143 4309985 CN(C)S(=O)(=O)OC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC 1 1.747 2 5 0 -10.3896859670378 4309964 CN(CCOC1=CC=CC=C1)CC(COC2=CC=CC=C2)O 1 3.073 1 3 -0.137180790494033 4309872 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CO3)C(=O)CC4=CC=CS4 1 4.843 2 3 -22.8783168129093 4309838 CC(=NNC=O)C1=CC=NC=C1 1 -0.23 3 1 0 -3.85883681929046 4309793 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)NCCN4CCOCC4)[N+](=O)[O-] 1 0.94 6 6 0 -19.8082954798305 4309781 CCCCN1C(C(CCC1=O)C(=O)O)C2=CC=CC=C2 1 2.551 1 3 -7.70348787337787 4309780 CC(=NNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)OCO4 1 3.253 3 4 0 -14.8820029025341 4309731 CC1(CC(=CC(=S)N1)NC2=CC=C(C=C2)OC)C 1 2.552 2 1 -5.80989117475418 4309713 COC1=CC(=C(C=C1)CC2C(=O)N(C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC 1 4.436 2 5 0 -3.87480787414426 4309681 COC1=CC=C(C=C1)CCN2C(C(=O)N(C2=O)C3=CC=C(C=C3)OC)CC(=O)NC4=CC=C(C=C4)OC 1 3.703 3 6 0 -14.1521473148027 4309679 CC1=CC=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)(C)CCC3=CC=CC=C3 1 2.976 3 3 -5.29071824230841 4309674 COCC1=NN=C(S1)NC(=O)CSCC2=CC=CC=C2 1 1.486 3 2 0 -16.5732725912728 4309646 CC(=NNC(=O)C1=CC=C(C=C1)Br)CN2C=NC(=N2)[N+](=O)[O-] 1 1.635 6 3 0 -10.4684408638679 4309575 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C 1 3.535 4 5 0 -12.2075536784726 4309505 C1COCCOCCN(CCOCCOCCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.709 4 8 0 -1.67812238074204 4309492 COC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)SC5=C2SC(=O)N5)O 1 3.772 2 5 0 -1.19177819087412 4309464 CC1=NC=C(C=C1)C(=O)NN=CC2=CC3=C(C=C2)OCO3 1 1.583 3 3 0 -9.79887121123846 4309412 CC1=CC=C(C=C1)CS(=O)(=O)CC(C)(C2=CC=CC=C2)O 1 3.126 0 3 -3.97743577310036 4309361 CC1COC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)OC 1 2.686 1 4 -8.09329138657487 4309358 CC1=CC(=CC(=C1O)C)C(=O)C2=CN=C(S2)N=CN(C)C 1 2.114 3 2 0.827870547151403 4309353 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=C(C=C4)Cl 1 1.47 5 4 0 -14.9529800422681 4309281 C1=CC=C(C(=C1)CNC(=O)CSCC(=O)O)Cl 1 1.584 1 3 0 -15.5390395890775 4309245 CC(=O)C1=CN(C(=O)NC1=O)CCNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.337 4 3 0 -3.38436076751534 4309236 C1C2=CN=C(N=C2C3=CC=CC=C3O1)NC(=O)C4=C(C=C(C=C4)Cl)Cl 1 4.369 3 2 2.12519829883151 4309233 CON=CC1C(=O)CC2C3=CC=CC=C3CCN2C1=O 1 0.846 2 3 0 -4.19614659846308 4309192 C1CCC(=NNC2=NC3=CC=CC=C3S2)C1 1 2.705 3 0 1.07747423750885 4309149 CC(C)(C)C(=O)C1C(C2(C3N1C=C(C=C3)C#N)C(=O)C4=CC=CC=C4C2=O)C5=CC=C(C=C5)Br 1 4.833 2 3 -5.8176149472017 4309132 CC(=NNC1=NC(=O)CC(S1)C(=O)NC2=CC=CC=C2)C3=CC=CS3 1 2.904 4 2 -10.6850186605751 4309128 CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)CN5CCCC(C5)C)O 1 5.005 3 3 3.28833576704843 4309119 COC1=C(C=C2C3CC4=NC=NC=C4C(=O)N3CCC2=C1)OC 1 1.336 3 3 0 -7.38465716470919 4309083 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 2.087 3 5 0 -20.6671784554263 4309011 CCCC1=NN2C(=C(C(=O)N=C2S1)C(C3=CC(=CC=C3)Cl)C4=C(N5C(=NC4=O)SC(=N5)CCC)O)O 1 6.139 6 4 0 -9.5134134488727 4309010 CCCC1=NN2C(=C(C(=O)N=C2S1)C(C3=CC=C(C=C3)C)C4=C(N5C(=NC4=O)SC(=N5)CCC)O)O 1 5.96 6 4 0 -10.8201830284787 4309009 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Br 1 3.145 2 6 0 -4.36750532344433 4309005 C1CNC(C(=O)N1)(C2=CNC3=CC=CC=C32)C(F)(F)F 1 1.645 3 1 0 -6.47023650379369 4308941 CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=NC=C(C(=C3Cl)C)Cl 1 5.113 2 3 -8.24764676867538 4308939 CC(C)N1C=C(C2=CC=CC=C21)C=NNC3=CC=C(C=C3)C(=O)O 1 4.304 3 2 -1.62196839345069 4308688 C1C2CC3CC1CC(C2)(C3)CC(=O)NN4CC5=CC=CC=C5C4=N 1 2.811 3 1 -6.78041527159632 4308655 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)OCCO3 1 2.195 2 7 0 -21.8608943654565 4308514 CCC1=CC(=C(S1)NC=C2C(=O)CC(CC2=O)(C)C)C(=O)OCC 1 2.826 1 4 -16.6721261026102 4308443 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3CC(CN3S(=O)(=O)C4=CC=C(C=C4)Cl)O 1 2.519 2 6 0 -8.52954368948801 4308436 CC1=CC(=C(C=C1)C(=O)NN=C2CC3C2C=CC3)C 1 2.822 2 1 -1.1007119742385 4308410 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC(=CC=C4)OC5=CC=CC=C5 1 4.056 2 6 0 -16.3806215992607 4308393 CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CC3=CC=C(C=C3)Br)C 1 3.763 3 3 -15.573816529098 4308388 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)C3=CC=CC=C3 1 2.682 4 3 0 -13.0709669437116 4308363 COC1=CC=C(C=C1)COCC(CN2CCCC(C2)C(F)(F)F)O 1 2.633 1 3 -3.3480817761866 4308319 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)SCC3CCCO3)[N+](=O)[O-] 1 3.152 3 5 0 -15.5335137531256 4308297 CC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCOCC2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)Cl 1 3.768 4 4 0 -8.74568971218946 4308227 CC1=NN(C=C1CN(C2CC(=O)N(C2=O)C3=C(C=CC=C3Cl)Cl)C(=S)NC4=CC=CC=C4OC)C 1 5.572 5 3 0 -10.1337038723962 4308106 C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)NNC(=O)CCC(=O)O 1 1.786 2 5 0 -10.6919619964933 4308004 COC1=C(C=C(C=C1)C=NNC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4)OC 1 4.224 4 3 0 -6.69623245343502 4307878 C1CN(CCN1CCC(=O)NNC(=O)CC2=CC=C(C=C2)Br)C3=CC=CC=C3 1 2.874 4 2 -2.01126933965357 4307866 CCN(CC)C1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)C#N)S(=O)(=O)NC3=CC=C(C=C3)OC 1 3.66 4 5 0 -11.7948962869568 4307781 C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)F 1 2.866 1 4 -4.12616350751386 4307766 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 1.762 3 6 0 -16.4444527603375 4307762 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)NCCN3C(=O)CSC3=O 1 1.264 3 7 0 -29.9520932651967 4307740 CC(=NNC1=CC=CC=N1)C2=CC3=C(C=C2)OCO3 1 2.585 3 2 -0.491093449971674 4307706 CC1=CSC(=C1NN=C(C)C2=CC=C(C=C2)F)C(=O)OC 1 3.929 2 2 -4.89998020118905 4307629 CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=NC=CS2 1 3.481 2 1 -2.60793758563788 4307616 CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC)C 1 2.551 2 4 -14.573323422037 4307612 C1=CC=C(C=C1)C(C(=O)O)OC2=CC3=CC=CC=C3C=C2 1 3.922 0 3 -5.9958176083121 4307554 CN1C=CC(=N1)C(=O)OCC(=O)NC2=CC=CC=C2Cl 1 2.064 3 3 -10.5698121838059 4307513 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3.784 3 3 -11.7578532364381 4305093 COC1=C(C(=CC=C1)OC)C(=O)OCC(=O)NC2=C(N=CC=C2)Cl 1 2.011 2 5 0 -10.2103024552677 4305041 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4 1 1.879 4 2 0 -7.34270950216042 4305027 CC1=CSC(=N1)SCCC(=O)NC2=CC=C(C=C2)OC 1 2.519 2 2 -13.3114298380868 4304997 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC(=O)NC4CCS(=O)(=O)C4 1 1.929 2 5 0 -13.6561166454014 4304978 CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NCCC1=CC=CC=C1 1 3.003 2 3 -9.51791381914756 4304722 C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC4=CC=C(C=C4)F 1 4.782 3 3 -12.8783466385946 4304677 C1CCN(C1)C(=O)COC(=O)C2=C(C=CC=C2Cl)Cl 1 2.74 1 3 -9.52444063902075 4304609 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.442 2 4 -22.5668314121439 4304601 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)S(=O)(=O)NC4=CC=CC=C4OC 1 2.692 4 6 0 -12.7406820979289 4304592 CC(=NNC(=O)CNC(=O)C1=CC=C(C=C1)C(C)(C)C)CC2=CC=CC=C2 1 3.149 3 2 -11.3126961129941 4304555 CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2COC3=CC=CC=C3O2 1 4.14 0 5 -5.19892810384267 4304543 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=C(C=C(C=C2)F)Cl 1 3.382 1 5 -11.1142900792272 4304519 CCOP(=O)(C1(C=C(C(=O)C2=CC=CC=C21)Cl)NS(=O)(=O)C3=CC=CC=C3)OCC 1 2.99 1 6 0 -4.10883649734131 4304499 COC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)OC)OC 1 3.174 2 6 0 -15.153394267706 4304498 CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC=C(C=C3)C(=O)OCC)C(=O)OCC 1 3.411 3 6 0 -14.6082864784716 4304422 C1CCC(CC1)C(C2=CC=CC=C2)C(=O)N 1 3.034 1 1 -3.13520210171793 4304420 C1=CC=C(C=C1)CONC=NC2=C3C=CSC3=NC=N2 1 2.382 4 1 1.22959510994372 4304418 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C=NC=N3 1 0.896 5 1 0 -10.2584433550418 4304417 COC1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCCN3C=CN=C3 1 1.615 4 3 0 -4.32932166552381 4304402 COC1=CC(=C(C=C1C2C(CCC(=O)N2)[N+](=O)[O-])OC)OC 1 1.33 2 6 0 -15.892497558779 4304387 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CS4 1 4.528 3 3 -20.17435328514 4304332 C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CO3)C4=CC5=NC=CN=C5C=C4 1 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CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=CN2C 1 2.391 3 5 0 -19.9178657056608 4301163 CC(CC(=O)NCC1=CC=C(C=C1)F)C2=CC=CC=C2 1 3.569 1 1 -8.69079910127756 4301158 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC=CC=C3OC 1 3.036 3 4 0 -17.0022555808713 4301144 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.046 3 7 0 -18.5764735789127 4301093 CC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4 1 3.256 8 2 0 -25.4377901426331 4301057 CCC(C)NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C 1 1.537 2 3 0 -17.1371864222064 4301054 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)C 1 2.18 4 7 0 -17.9427450517464 4300957 CC(=NN1CCN(CC1)C)C2=CC=C(C=C2)OC(F)F 1 2.307 3 1 4.20941006372665 4300933 COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCN4CCCC4=O 1 2.633 4 4 0 -27.8446684909813 4300919 CC1=CC2=C(N1C)C=CC(=C2)CNC(=S)NC3=CC=C(C=C3)OC(F)(F)F 1 6.86 3 1 -5.22172106020719 4300818 CC1=CC=C(C=C1)NC(=O)COCC(=O)NC2=CC=C(C=C2)OC 1 1.793 2 4 0 -4.65724934090508 4300736 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N 1 1.731 3 5 0 -11.7517745227689 4300662 CCCCNC(=O)COC(=O)CCC(=O)C1=CC=CS1 1 1.982 1 4 0 -21.6099173547254 4300623 CC(=O)N1C(C2CCOC2C3=C1C=CC(=C3)Cl)C4=CC=CO4 1 2.472 1 3 -6.75190235249466 4300538 COC1=C(C=C(C=C1)C(=O)NN2C=NN=C2)OC 1 0.2 4 3 0 -10.8386230364485 4300483 C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=CS2)C(C#N)C3=NC4=CC=CC=C4N3 1 4.244 4 2 -5.67918153076703 4300444 CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NCCOC3=CC=CC=C3 1 2.809 3 3 -16.5091142088335 4300411 COC1=CC(=C(C=C1)C=NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCCC4)OC 1 3.829 7 2 0 -1.81886380014412 4300344 CCN(C1CCCCC1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)Cl 1 3.403 4 6 0 -24.7230209067835 4300292 C1CCC2=NN=C(N2CC1)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CC=C5Cl 1 4.811 5 1 -13.0171270647639 4300301 C1CCN(CC1)C(=O)CNS(=O)(=O)C2=CC=CS2 1 0.71 2 3 0 -13.2968755514177 4300326 CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)C(C)C3=CC=CC=C3 1 3.29 2 3 -5.13583470470841 4300262 CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)CN5CCCCC5C)O 1 5.86 2 5 0 8.42332123155195e-002 4300145 CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=O)CC(C)(C)C)C 1 3.214 2 2 -14.1972719564285 4300130 CC1=CC(=NO1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl 1 4.551 3 2 -12.6096380414583 4300117 CCNC(=O)NC(=O)C(C)OC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)Cl 1 2.333 4 4 0 -14.1226085429395 4300066 CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCC5)C#N)N)C#N 1 4.988 4 2 -25.1436414356942 4300054 CCCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)F 1 2.606 2 3 -21.8947737050855 4300053 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NCCC3=CC=CC=C3 1 2.726 2 3 -19.4211592659371 4299978 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=C4N3C=CC=C4 1 1.113 5 5 0 -33.0096035223954 4299919 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCC4=NNC(=S)O4 1 3.817 3 3 -5.09736748396378 4299857 CC1=CC=C(C=C1)N(C(=O)NCCCCNC(=O)N(C2=CC=C(C=C2)C)O)O 1 3.351 4 4 0 -5.90765391376632 4299841 C[NH+]1CCC2(CC1)C(=C(NC(=C2C#N)[S-])N)C#N 1 -1.097 5 0 0 -5.23900830156303 4299834 CC(=NNC(=O)COC1=C(C=C(C=C1Cl)Cl)Cl)CN2C=NC(=N2)[N+](=O)[O-] 1 2.715 6 4 0 -8.99869453503205 4299664 CC(=NNC(=O)C1=CC=NC=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC 1 2.281 4 3 0 -10.1288696989534 4299626 CCNC1=C(C=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)[N+](=O)[O-] 1 2.181 4 6 0 -21.3455608115298 4299543 CC(C)CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C)CC(C)C 1 3.976 5 1 -21.3793717531633 4299534 CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)N3C(=O)C4CCCCC4C3=O 1 3.726 2 3 -11.4303500384396 4299469 CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C(=CC(=N4)C(F)F)C5CC5)SC2)C(=O)O 1 0.909 8 4 0 -29.4113131320957 4299462 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CC4CC(C3)C5=CC=CC(=O)N5C4 1 1.955 3 7 0 -10.3819571471472 4299457 CCCNC(=O)C1=CC(=C(C=C1)N2CC3CC(C2)C4=CC=CC(=O)N4C3)NC(=O)NC5=CC=C(C=C5)CC 1 3.586 5 3 0 -16.0296956623265 4299439 C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)CC(=O)OC3=CC=CC=C3P(=O)(O)O 1 4.255 1 5 -2.4911420368887 4299416 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)S(=O)(=O)N4CCCCCC4 1 2.428 4 6 0 -23.3162284238425 4299391 CC1=CC2=C(N1C)C=CC(=C2)CNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 2.089 3 3 -7.51100780588024 4299358 CCOC(=O)C1=C2N(C3=C(O2)C=CC(=C3)Cl)C(=O)C(=C1)NC(=O)C4=CC=C(C=C4)OC 1 3.171 2 6 0 -6.19008779722558 4299324 C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CC(=O)NN 1 2.501 3 1 -2.98754314179045 4299310 C=CCNC(=O)COC(=O)CCC(=O)C1=CC=CS1 1 1.27 1 4 0 -21.3312688381928 4299306 CC1=CC(=O)OC(=C1C(=O)NCC2=CC=C(C=C2)OC)C 1 2.019 1 4 -11.2019882393334 4299304 CC1=CC(=O)OC(=C1C(=O)NCCN(C)CC2=CC=CC=C2)C 1 2.174 2 3 -7.13079810483465 4299275 C1=CSC(=C1)CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.121 2 3 -18.3357007522186 4299261 CC(C1=CC=CC=C1)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.212 3 4 0 -30.7340235223278 4299228 C1COCCN1C(=O)C2=C(C(SC2=NC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C#N)N 1 1.299 5 3 0 -6.79334635434124 4299203 CS(=O)(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CS3 1 2.389 2 2 -8.83287851412234 4299197 CC1CCCN(C1)C2=C(C=C3C(=C2)C(=O)N(C3=O)C4=CC=CC=C4)[N+](=O)[O-] 1 3.732 3 4 0 -8.7740115960111 4299167 CC1=CC(=NNC(=O)COC2=CC=CC=C2OC)CC1 1 2.194 2 3 -9.75181484405198 4299160 CC1=CC(=NNC(=S)NCCC2=CC=CC=C2)CC(C1)(C)C 1 4.742 3 0 -14.1946121879732 4299103 CC1CN(CC(O1)C)C(C2=CC(=C(C=C2)OC)OC)C3=C(N4C(=NC(=N4)C)S3)O 1 2.889 4 4 0 -8.53622402681652 4299085 CN1CCN(CC1)C(C2=CC=C(C=C2)Cl)C3=CC(=C4C=CC=NC4=C3O)Cl 1 4.746 3 1 5.5811027834218 4299029 CC1=CC(=O)OC(=C1C(=O)NCCC2=CC(=C(C=C2)OC)OC)C 1 2.323 1 5 -14.4751854074979 4299005 COCCNC1=C(C=C(C(=C1)N)[N+](=O)[O-])[N+](=O)[O-] 1 0.549 4 5 0 -6.10798641693614 4298999 CC1=NC=CN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.597 3 2 2.04193801103286 4298932 C1COCCN1C2=CC=C(S2)C=NNC3=CC(=C(C=C3)Cl)C(=O)O 1 3.67 3 3 -2.86933792428045 4298883 CC1=CC=C(C=C1)CON2C3=C(N=CC=C3)N=C2C4=C(C=C(C=C4)Cl)Cl 1 3.627 3 1 4.41424769750697 4298881 CC(=NNC1=CC=CC2=C1N=CC=C2)C3=CC=C(C=C3)N 1 2.868 4 0 -1.7293015893629 4298880 C1=CC(=C(C(=C1)Cl)CON=CC2C(=O)NC(=O)N(C2=O)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl)F 1 3.799 5 4 0 -2.86505458361417 4298832 CC1=NN2C(=C(SC2=N1)C(C3=CC(=CC=C3)OC)N4CCC5=CC=CC=C5C4)O 1 4.121 4 2 -4.00999972830335 4298817 CC(=NNC(=O)CNC(=O)CC1=CC=CC=C1)C2=C(C=C(C=C2)OC)OC 1 1.725 3 4 0 -14.7662914667177 4298814 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2 1 4.035 1 8 0 -21.3322882427275 4298774 COC1=CC=CC=C1NC(=O)C2=CN=C(C=C2)N3C=CC=N3 1 2.213 4 2 -7.41945577744934 4298773 COC1=CC=CC(=C1)NC(=O)C2=CN=C(C=C2)N3C=CC=N3 1 2.213 4 2 -4.03431163912798 4298772 CC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)N3C=CC=N3 1 2.715 4 1 -3.88065659814672 4298771 COC(=O)C1=CN=C(C=C1)N2C=NC3=CC=CC=C32 1 2.371 3 2 -3.99527334304724 4298702 CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC 1 3.399 2 2 -3.49977569645698 4298690 CC1=CC=C(C=C1)NC(=O)C(=O)NNC(=O)COC2=CC=C(C=C2)OC 1 1.443 3 5 0 -10.9101042672085 4298660 C1CCC2=NN=C(N2CC1)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5 1 3.736 5 0 -1.90874045572068 4298656 CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N(C)C4CCS(=O)(=O)C4)C 1 3.564 2 5 0 -18.2421901036928 4298653 CN1C2=NC=C(C(=C2C=N1)NCCCN(C)C)C(=O)O 1 -2.667 5 2 0 -4.63352662109052 4298635 CSC(=NC#N)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.497 5 2 0 -1.73703659456603 4298634 COC1=CC=CC=C1S(=O)(=O)CC(COC2=CC=CC=C2Cl)O 1 3.125 0 5 -10.6171778630478 4298633 C1COCCN1C2=C(C=C(C=C2)C=NOC(=O)C3=CC=CC=C3Cl)[N+](=O)[O-] 1 3.552 3 5 0 -1.60764186870132 4298631 C1=CN=CC=C1C=NNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.293 4 0 7.90639962440136 4298592 CC1=CC=NC2=NC(=NN12)C(=O)NC3=NC(=CS3)C4=CC=CC=N4 1 1.631 7 1 0 -5.01882180526994 4298547 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 2.088 4 5 0 -21.6010086093065 4298545 C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-] 1 2.779 5 3 0 -4.31946055829033 4298472 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCCCNC(=O)NS(=O)(=O)C2=CC=C(C=C2)C 1 2.475 4 6 0 -10.6396971325165 4298453 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5 1 1.412 6 5 0 -23.6401065414499 4298451 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NN=C(CC2=CC=CC=C2)CC3=CC=CC=C3 1 4.907 4 2 -13.7229690905127 4298397 CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)N2CCCC2 1 3.921 2 1 -12.9967510144882 4298260 CCCCNC(=O)C(=C1N(C(=O)C(=CC2=CC=CC=C2OC(F)F)S1)CCCOC)C#N 1 3.499 3 4 0 -13.2151399751145 4298248 C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCC4=CC=C(C=C4)F 1 4.589 3 3 -23.8920392559784 4298219 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 0.908 2 7 0 -18.0354449555305 4298196 COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)NC3CCS(=O)(=O)C3 1 1.793 4 4 0 -14.7671969205843 4298165 CC1=C(C(=NO1)C)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.444 2 4 -21.3594451109143 4298069 CC1=CC(=CC(=C1Cl)C)OCC(=O)N(CC2=CC=CO2)C3CCS(=O)(=O)C3 1 2.989 1 5 -14.8561661667532 4298041 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CS4 1 4.494 2 1 -11.0458373901176 4297976 CCOC(=O)C1=NNC2(C1C(=O)N(C2=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl 1 3.218 3 4 0 -3.53872015815465 4297951 CC1=NN(C(=O)N1C2=CC=C(C=C2)OC3=CC=CC=C3)C 1 2.758 3 2 -2.14786160997467 4297799 C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N)C3=CC=C(C=C3)O 1 2.596 2 4 -2.82115382077811 4297794 CC1=CC(=C(N1CCOC)C)C2=NN=C(SC2)NC3=CC=C(C=C3)OC 1 3.167 4 2 -11.0769964850071 4297783 CC1=CC=C(C=C1)C(=O)CSC2=NC=CN2C3=CC=CC=C3 1 4.325 2 1 -2.07288242819597 4297782 CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F)C(=O)NC4=CC=CC(=C4)C(F)(F)F 1 3.845 4 5 0 -3.58717272786881 4297780 CC1=C(C=C(C(=O)N1CCCOC)NC(=O)C2=CC=CC=C2)C(=O)C 1 0.506 2 4 0 -11.623477771053 4297705 C1CS(=O)(=O)CC1NC(=O)CSC2=CC=C(C=C2)Br 1 1.687 1 3 0 -13.9463538057088 4297678 CCOC(=O)C1=C(C(=S)NC2=C1CCCC2)C#N 1 2.341 2 2 -13.8601611824818 4297662 C1C(C(=O)N(C1=O)C2=CC=CC=C2Cl)NC3=CC(=O)NC(=O)N3 1 0.561 4 4 0 -13.250854779237 4297591 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=C(C=C3)F)F 1 2.56 2 3 -12.2656693201366 4297569 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3)N(C)C)OC 1 3.221 3 4 0 -19.3241043604438 4297395 CN(C1C2CC3CC(C2)CC1C3)C(=O)C4=CC(=CN=C4)Br 1 3.099 2 1 -1.57176260639837 4297390 C1=CC=C(C=C1)CCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)Cl 1 3.535 1 3 -13.4233355508658 4297303 C1CSC(=N1)NC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 3.687 3 2 -19.1581308603718 4297278 CC1=CC(=O)OC2=C1C=CC(=C2C)OC3CCCCC3=O 1 3.701 0 4 -5.91442742378198 4297259 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.6 3 4 0 -18.8271630793208 4297235 CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=NC=C2 1 2.204 3 2 -0.281099024049375 4297233 CC1=CC2=C(C=C1)N(CC3(C2)C(=O)NC(=O)N(C3=O)CCC4=CC=CC=C4)C 1 3.346 3 3 -4.03895518262852 4297200 COC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)F)S(=O)(=O)N3CCCCC3 1 3.231 2 4 -17.2846892934706 4297195 C1=CC=C(C=C1)CN2C(=O)C(NC2=O)(C(F)(F)F)NS(=O)(=O)C3=CC=CC=C3 1 2.587 3 4 0 -4.92009922211147 4297096 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=CC4=CC=CC=C43 1 3.187 3 4 0 -14.9821340388396 4297053 COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3CCCO3 1 2.279 3 4 0 -26.1237214659081 4297046 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC=C3F)F)(C)C 1 2.73 3 3 -11.7463760546873 4297045 CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 1.788 3 6 0 -17.4892774477721 4297039 C1=CC(=CN=C1)C(=O)OCC2=CC=CO2 1 1.3 1 3 0 -7.0639752468325 4296918 CC1=NC(=NC=C1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCC4=CC=CC=C4 1 5.281 2 4 -5.63856655405101 4296887 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CC=C4 1 3.42 4 3 0 -6.37462443194013 4296834 C1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=COC=C4 1 1.92 8 3 0 -26.8273213195256 4296775 C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=O)NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.23 5 4 0 -4.42043481205483 4296746 CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C)C(=O)N 1 4.654 3 2 -8.31380403644333 4296722 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)N3C=NC=N3)NC(=O)C4=CC=C(C=C4)Cl 1 1.626 5 4 0 -23.2271950463104 4296681 CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N4CCCN(C4=N2)CCC5=CC=CC=C5 1 3.353 5 2 0 -9.88984569428924 4296598 CC(=NNC(=S)NCCOC)C1=CC=C(C=C1)N2C=CN=C2 1 1.75 5 1 0 -13.2046994868228 4296584 C1=CC=NC(=C1)C2=NN=C(O2)NC(=O)C3=CC(=CC=C3)Br 1 2.481 4 2 -4.84887663619228 4296542 CCN(CCCNC(=O)C1CCC(=O)N1C(C)C)C2=CC=CC(=C2)C 1 2.464 3 2 -14.3900634313809 4296541 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CCC(=O)N3C(C)C 1 2.742 3 2 -5.6098144554928 4296505 CCCNC(=O)C1=C(SN=N1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.775 3 3 -15.8861213473782 4296485 C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC(=CS3)Br 1 3.158 2 3 0.756962147660795 4296370 CC(C)OC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC(=C(C=C2)OC)OC 1 2.945 2 5 0 -22.518734993524 4296367 CC(C)OC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC(=CC(=C2)OC)OC 1 2.945 2 5 0 -20.4751356500792 4296362 CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCN(CC3)C(=O)OCC 1 0.446 3 7 0 -17.0090179302423 4296334 C1=CC=C2C(=C1)C(=NN2)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.288 4 5 0 -16.8974263333337 4296292 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C 1 3.535 4 5 0 -11.1930378185312 4296273 CC1=C(C2=C(N1)C=CC(=C2)OC)CCN(CC3=CC=CO3)C(=S)NCCOC 1 4.155 3 3 -11.3316287044433 4296219 CC(=O)NC1=C(C=CC(=C1)C(=O)NC)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.925 2 4 0 -16.4636853014116 4296216 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)NCCCOC)NC(=O)C 1 1.678 2 5 0 -22.7333102372664 4296213 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=CC=C3)NC(=O)C 1 3.536 2 4 -16.4795567110745 4296166 C1CN(C2=CC=CC=C21)C3CC(=O)N(C3=O)C4=CC=CC=C4 1 2.762 2 2 -2.3062364124252 4296103 CC1=C(C(=CC=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C(C)C)C 1 2.904 3 3 -9.52721544302687 4296053 C1CCN(C1)CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-] 1 1.311 3 4 0 -6.02243388284158 4296052 C1=CN(C=C1)C2=C(SC=C2)C3=NN4C(=CC(=NC4=C3)C(F)(F)F)C(F)(F)F 1 5.621 4 0 -8.8996155505109 4296031 C1CC1NC(=O)C2=CC=C(O2)CS(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 3.439 1 4 -9.94217528475869 4296023 C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3CCCO3)C#N 1 3.244 2 2 -26.4271945727619 4295975 CCCCN(C)C1CCN(CC1)C(=S)NC2=CC(=CC=C2)SC 1 5.029 3 0 -11.9375613277951 4295922 CCOC1=CC=C(C=C1)C2CC(=O)N(C2=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.628 4 7 0 -6.32615126973916 4295880 C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC=C(C=C4)[N+](=O)[O-])C#N 1 4.144 3 3 -2.36954732570375 4295876 COC1=CC=CC=C1N2C(=O)C3=C(CCS3)N=C2SCC(=O)N4CCC5=CC=CC=C54 1 3.429 3 3 -22.313463190185 4295875 CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3OC)CNC(=O)C4=CC=CC=C4 1 2.399 7 3 0 -30.5404177705961 4295870 CC(C)OP(=O)(C(C)NC(=O)CC1=CC=CC=C1)OC(C)C 1 1.999 1 4 0 -10.1951426875626 4295810 CC1=CC=C(C=C1)C2CCN(C2)C(=S)NC3=CC=CC(=C3)C 1 5.833 2 0 -4.13967507715581 4295806 C1COCCN1CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 2.776 2 5 0 -12.7087440806022 4295761 C1CCC(=O)C(C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 3.065 1 5 -13.7405681738332 4295697 C1=CC=C(C=C1)CCCNC(=O)CC#N 1 1.794 2 1 0 -13.9670342674583 4295672 CC1=CC=C(C=C1)C(=O)OC2CCS(=O)(=O)C3=C2C=CS3 1 2.977 0 4 -7.09564707618565 4295636 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NC=CN3)O 1 2.571 2 1 -1.70378066177034 4295610 CC1=NN(C2=CC=CC=C12)C(C)C(=O)NCC(OC)OC 1 1.444 3 3 0 -11.6026066492755 4295603 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5)C)C 1 2.577 3 6 0 -31.8713731659759 4295600 CC(C)NC(=O)CON=C(C)C1=CC=CS1 1 1.415 2 2 0 -14.317872213264 4295478 C1CN(C(=N1)SCC2=CC(=CC=C2)F)C(=O)C3=CC=CS3 1 4.05 2 1 -13.0194334992782 4295474 CCSC1=NN=C(N1C2=CC(=C(C=C2)C)Cl)C3=CN=CC=C3 1 4.333 4 0 -5.11814514476685 4295396 CC1=CC(=CC(=C1)NC2=NC=NC3=C2NC=N3)C 1 2.186 5 0 1.2649458458043 4295387 CCOC(CNC(=O)CN1C2=CC=CC=C2C(=N1)C)OCC 1 1.657 3 3 0 -15.8143398525923 4295384 CC1CCCC(N1C2=NN=C(S2)NC(=O)NC3=CC(=C(C=C3)OC)OC)C 1 2.72 5 3 0 -14.3824983075835 4295383 CC1CCCC(N1C2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)OC)C 1 2.736 5 2 0 -9.10864037300703 4295316 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCCC(C)C 1 1.503 2 3 0 -28.3120846629365 4295307 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=CC=C5OC 1 3.679 2 6 0 -14.2119471066313 4295268 CC#CP(=O)(C(CF)(C1=CC=CC=C1)O)OC 1 2.107 0 3 -3.68562993700766 4295181 C1CN(CCN1C2=CC=CC=C2F)C3=NC4=CC=CC=C4N=C3 1 3.21 4 0 6.48252984666152 4295178 CC(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)C2=CNC(=C2)C(=O)NCC=C 1 3.826 3 2 -5.61280444981084 4295119 C1=CC(=CC=C1C2C3(C(NC(=S)N2)C4=CC=C(C=C4)F)C(=O)NC(=O)NC3=O)F 1 2.66 4 3 0 -5.24507541646164 4295083 CC1=CC(=C(C=C1)OC)N2C(=O)C(C(=C2N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5 1 4.739 3 2 -1.74574285006489 4295044 CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)N3CCCCC3)Br)OCC(=O)NC(C)(C)C 1 5.357 3 3 -15.3083673142582 4294969 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4CC4 1 0.874 5 6 0 -23.8513965985458 4294967 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4CC4)C 1 2.221 4 4 0 -22.0847417592279 4294966 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4CC4 1 1.902 4 4 0 -20.7974251725094 4294965 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4CC4 1 1.96 4 4 0 -18.395035877625 4294890 CCCCNC(=S)NCC1=CC2=C(C=C1)NC(=C2)C 1 4.009 3 0 -9.68477333076754 4294847 C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NCC4=CC=CO4 1 2.48 1 5 -8.63806972106141 4294755 C1CC1NC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F 1 3.509 1 3 -10.8391045232074 4294544 CC1CCC2=C(C1)SC=C2C(=O)NNC(=S)NC3=CC=CC=C3C 1 5.057 3 1 -11.8046303260866 4294496 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O 1 1.663 2 5 0 -23.1840635536723 4294470 COC1=C(C=C(C=C1)CCNC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)OC 1 5.386 2 3 -18.7406041618523 4294433 CNC(=S)N1CCN2C=CC=C2C1C3=CN=CC=C3 1 2.541 4 0 -14.721350238572 4294403 CC(C)(C)C1CCC(=NNC(=S)NCC2=CC=CC=C2)CC1 1 4.706 3 0 -13.8567693841871 4294402 CCN1CCC2=C(C1)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 1.446 4 3 0 -11.5207514548858 4294342 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)NC3CCCCC3 1 3.456 3 1 -9.73190317062281 4294318 CCCCNC(=O)C1=CC2=C(C=C1)N(C=N2)C3CCCC3 1 3.49 3 1 -14.236243542959 4294253 CCC(=NNC(=O)C1=C(N=C2N1C=CC=C2)C)C3=CC=C(C=C3)Cl 1 3.446 4 1 -5.03290525379071 4294243 C1CSC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F 1 4.441 3 1 -10.6434279621644 4294214 COC(=O)C1CC2=C(C=CS2)C(=O)C1 1 1.293 0 3 0 -7.13826588806686 4294204 CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)NC3=CC=CC=C3Cl 1 5.61 3 3 -10.7839517322717 4294128 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 1.133 3 8 0 -21.8741811880963 4294047 CC1=C(C=C(C=C1)Cl)NC(=S)NCC2=CC=CN2C 1 4.624 3 0 -7.90468907563359 4294045 CC(C1=CC=NC=C1)N(CCCOC)C(=S)NC2=CC(=CC(=C2)Cl)Cl 1 5.118 3 1 -4.97207226360859 4293958 C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC=C3Cl)[N+](=O)[O-] 1 4.278 2 5 0 -13.2303315419674 4293949 CN(C1CCCCC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-] 1 4.763 2 5 0 -14.0706596632939 4293943 CC(C)CCN(C(C)C1=CC=CS1)C(=O)NC2=CC=CC=C2 1 4.54 2 1 -3.79418780174847 4293941 CN(CC1=CC=CO1)C(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl 1 2.348 3 3 -6.59540848972686 4293809 CC1CC(CN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=C(C=C3)F)Cl)C 1 2.65 3 3 -17.144803784619 4293807 CCCN(CCC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CO3 1 2.298 9 3 0 -26.8745969716139 4293803 CCCN(CCC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=C(C=C3)Br 1 3.652 9 2 0 -26.1644233507621 4293774 CC1=CC(=CC=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br 1 7.239 2 2 -13.1370459447389 4293770 C1CC(CCC1CN(CC2=CC(=CC=C2)Br)C(=S)NC3=CC=CC=C3F)C(=O)O 1 6.959 2 2 -14.9434595192129 4293768 COC1=CC=CC(=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br 1 6.737 2 3 -15.0809523125245 4293758 CC1=CC=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br 1 7.239 2 2 -14.461086459667 4293600 CCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=C(C#N)C(=O)NCC3=CC=CO3)S2)C4=CC=CC=C4 1 6 3 4 0 -12.7613052302707 4293590 CC1=C(C=C(C=C1)N2C(=O)C3=C(N(C2=O)CC4=CC(=O)N5C=CC=CC5=N4)SC6=C3CCC6)C 1 3.983 4 3 0 -19.583752963487 4293555 CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 2.324 5 0 9.5422469039152 4293468 CC(=NNC(=S)NCCC1=CC=CC=C1)C2=CC=CS2 1 4.07 3 0 -12.1196448232892 4293439 CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC=CO2 1 3.19 3 1 -7.03798478184873 4293414 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br 1 4.111 2 3 -15.2107869546002 4293413 CC1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.475 1 3 -14.1993531630542 4293410 C1=CC(=CC=C1S(=O)(=O)CCC(=O)NC2=C(C=C(C=C2)Br)F)Br 1 3.942 1 3 -11.1841446791334 4293409 CCOC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.321 1 4 -12.813849747914 4293406 CC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.482 1 3 -16.817236703312 4293405 COC(=O)C1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 2.844 1 5 -18.7420186006015 4293404 COC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 2.979 1 4 -17.2302029124562 4293401 CNC1=NC(=C(C(=N1)NC2CCCCC2)[N+](=O)[O-])N 1 1.329 6 2 0 -5.7552827331554 4293343 CC1=CC2=CC=CC=C2N1CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 3.365 3 3 -25.1952820377981 4293311 CCCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2CCCN(C)C)OC4=CC(=C(C=C4C3=O)C)C)OCC 1 4.719 2 5 0 -11.9151700944397 4293299 C1COCCN1CCCN2C(C3=C(C2=O)OC4=C(C3=O)C=C(C=C4)F)C5=CC(=CC=C5)O 1 2.21 2 5 0 -8.62586773837326 4293202 CC1=CC=C(C=C1)C(=O)ON=CC2=CC=C(C=C2)N(C)C 1 3.792 2 2 -2.25245124061079 4293180 CC1=CC(=CC(=C1)NC(=S)N(CCN2CCCCC2)CC3=CC=CO3)C 1 5.841 3 1 -8.8952561489101 4293121 CC(C)(C)C(=O)C(CC1=CC=CC=C1)N2C=NC=N2 1 2.964 3 1 -4.85888363089005 4293116 CC1=NN(C(=C1C(=O)NCC(=O)NC2=CC=C(C=C2)OC)Cl)C 1 1.049 4 3 0 -11.9935129592403 4293113 CC(C)CC(=O)C1=CNC(=C1)C(=O)NCCCN2CCOCC2 1 1.426 3 3 0 -9.28818300420109 4293109 C1=CC=C(C(=C1)C(=NC2=CC=C(C=C2)Cl)NO)Cl 1 4.01 2 1 3.13295609284175 4293088 COC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5 1 2.218 3 6 0 -8.4427958604971 4293014 CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NC3CCCCC3 1 4.037 2 3 -13.7546808756294 4292992 C1C(=NC2=CC=CC=C2S1)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.166 4 3 0 -10.3166013387508 4292880 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CNC(=O)C3=CC=CC=C3 1 0.958 4 5 0 -25.4829063295667 4292878 C1C(N(N=C1C2=CC=C(C=C2)Cl)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3)C4=CC=CO4 1 3.135 3 5 0 -18.5488513412949 4292840 CC1=CC=C(C=C1)NC(=O)NNC(=O)C2CC(=NO2)C3=CC=CS3 1 1.986 4 3 0 -7.7616549055626 4292820 CC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC(C)C 1 3.325 2 3 -14.3392944593372 4292815 CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3)C4=CC=CC=N4 1 4.028 4 1 -9.09743669155555 4292700 C=CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54 1 4.359 4 5 0 -29.6625939153411 4292640 C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N 1 4.885 2 3 -13.8161274510934 4292626 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC(C)C3CC4CCC3C4 1 3.615 2 4 -19.170941088122 4292603 CCOC(=O)C(C(F)(F)F)(NC(=O)NCC1=CC=C(C=C1)F)OCC 1 2.831 2 4 -8.44780666072142 4292590 CC1CCN(CC1)C2=NN=C(S2)NC(=O)NC3=C(C=CC(=C3)OC)OC 1 2.216 5 3 0 -11.5623764305267 4292589 CC1CCN(CC1)C2=NN=C(S2)NC(=O)NC3=CC=CC=C3C(=O)OC 1 2.105 5 3 0 -16.0084242185522 4292582 CC1CCN(CC1)C2=NN=C(S2)NC(=O)NC3=CC(=C(C=C3)OC)OC 1 2.216 5 3 0 -13.1039459291165 4292572 CCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)C(=O)C3=CC=CO3)F 1 3.367 2 3 -4.66402252307528 4292568 CCCCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C)F 1 3.19 2 2 -7.35816952785058 4292506 C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=C(C=CC=C3F)F)C4=CC=CC=C4 1 4.405 2 2 -17.5447500759585 4292498 COCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CN3C(=O)CCC3=O 1 -0.178 4 6 0 -17.3312459946 4292478 CCC1=CC=CC(=C1NC(=S)NCC2=CC3=C(C=C2)NC(=C3)C)C 1 5.963 3 0 -7.43353233137262 4292322 C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C=CC=N4)C(=O)O 1 3.527 1 3 -6.35786517837526 4292149 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC(C)C(=O)C3=CC=CC=C3 1 2.716 1 6 0 -22.8679547653673 4292134 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CCC3=CC=CC=C3 1 1.195 4 5 0 -10.9611142761483 4292127 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)COC4=CC5=C(C=C4)C(=CC(=O)O5)C)C 1 5.929 2 4 -2.2712995147078 4292126 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.001 3 5 0 -30.1266260643316 4291888 CCOC(=O)C1=CC(=C(C=C1)N2C=CN=C2)NC(=O)C3=CC(=CC=C3)Br 1 3.236 3 3 -11.7078847083033 4291700 C1CCCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 3.236 3 4 0 -19.8802339256727 4291583 CSCCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)S(=O)(=O)NC(CCSC)C(=O)O 1 1.901 2 8 0 -19.3244007824659 4291543 CC1CCCCC1NC(=O)CSC2=NC3=CC=CC=C3C4N2N=CC4 1 3.445 4 1 -21.5984464419592 4291539 CCCCN1C2=C(N=C1C3=C(C=C(C=C3)Br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l 1 4.273 4 1 -4.14082319559628 4290942 C1CC(=O)N(C1=O)C(CC2=CC=CC=C2)C(=O)O 1 0.935 1 4 0 -10.2755850642759 4290920 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC(=CC=C3)F 1 3.75 2 4 -18.2248240332787 4290902 C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=NC=C3)[N+](=O)[O-] 1 1.988 4 3 0 -9.86043118949284 4290899 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)F 1 3.324 5 3 0 -12.7053830622486 4290621 C1CC(OC1)CNC(=O)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC=CS3)NS(=O)(=O)C4=CC=CS4 1 1.945 3 6 0 -16.7468816435341 4290528 CC1=CC=C(C=C1)CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)OC 1 3.038 1 4 -17.0039883460758 4290530 CC1=CC(=CC=C1)CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)OC 1 3.038 1 4 -15.7448869768336 4290536 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4C5=CC=C(C=C5)F)SCC6=CC=CC=C6 1 5.725 4 1 -15.0563305095704 4290547 CCNC(=S)NNC(=O)CN1C(=CC(=N1)C)C 1 0.698 5 1 0 -18.7119345723168 4290490 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F 1 2.792 3 4 0 -30.7241750005172 4290489 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C)S(=O)(=O)N(C)C 1 2.872 4 3 0 -14.6232656598144 4290464 CC(C)OCCCNC(=O)CNC(=O)C1=CC(=C(C=C1)Cl)Cl 1 2.084 2 3 -16.9925038996077 4290368 CC1=C(C=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=CC=C4)C 1 3.439 3 3 -6.32237140174216 4290182 CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC=C(C=C3)F)N4CCOCC4 1 3.699 2 2 -12.4043283587865 4290143 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(N=CC=C3)SC 1 3.238 3 3 -18.3973972571412 4290043 CCN=C(NC#N)SCC1=C(C=CC=C1Cl)F 1 3.57 3 0 -6.4138656523539 4290030 CC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=O)NC3=C(C=CC=C3F)F 1 4.28 3 1 -3.75149995367569 4290028 CCC1=NN=C(S1)NC(=O)C2CC3=CC=CC=C3C(=O)O2 1 1.933 3 3 0 -13.5638583969194 4290025 CC1CC2=CC=CC=C2N1CC(=O)NC(=O)NCC3=CC=CC=C3 1 2.867 3 2 -10.0811800850046 4289953 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=C(S3)Br)O 1 2.988 2 2 -1.80852930933429 4289931 C1=CC=C(C=C1)CC(=O)NCC2=NNC(=S)N2C3=CC=CC=C3 1 2.773 4 1 -14.3039261482793 4289750 CC1CSC2=NN=C(N12)CCC3=CC=CC=C3 1 3.095 3 0 -5.91399056481943 4289708 CC(C)NC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC=C 1 3.66 2 2 -16.3909511021207 4289706 C=CCN1C2=C(C=CC(=C2)C(=O)N3CCC4(CC3)OCCO4)SC5=CC=CC=C5C1=O 1 3.204 2 4 -11.429378624151 4289645 CCC1=CC=CC(=C1NC(=S)N(CC2=CN=CC=C2)CC3=CC=CO3)C 1 5.674 3 1 -14.0363703653344 4289607 CCC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)F 1 1.675 3 3 0 -4.314151678447 4289583 C1CCC(C1)(C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.977 2 3 0.873066250652974 4289470 CCCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)C 1 4.361 3 2 -24.8079576725225 4289467 CC(=NNC1=CC=CC(=C1)C(=O)O)C2=CC3=CC=CC=C3O2 1 3.654 2 3 2.71494047887967 4289384 CCOC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)C(C)C)C3=C(N4C(=NC(=N4)C)S3)O 1 3.883 5 3 0 -5.85035295216024 4289380 C1=COC(=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)F 1 1.509 4 4 0 -20.3465416945354 4289379 CC1=CC=CC=C1C(=O)N2C(CC(=N2)C3=CC(=CC=C3)NS(=O)(=O)C)C4=CC=CS4 1 3.66 3 3 -11.0605307275622 4289349 CC(C)C(=O)NC1=C(OC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)F 1 4.284 1 3 -1.53230026817644 4289344 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C(CO)NS(=O)(=O)C2=CC=C(C=C2)Br 1 2.099 1 7 0 -16.2240286567129 4289301 CCCCCC(=O)NC1=NC2=CC=CC=C2N1 1 3.043 3 1 -6.24516390610545 4289251 CC1=NN(C2=C1C=C(S2)C(=O)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5Cl 1 4.601 3 3 -14.6968964254967 4289213 CN(C)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2 1 2.249 3 2 -9.28659532851998 4289166 CC1=CC(=NC2=C1C(=C(C(=O)N2C)C#N)C3=CC=C(C=C3)F)C 1 3.138 3 1 4.69931706227587e-002 4289110 CCN(CC)P(=O)(NC(=O)C1=CC=CN1C)N(CC)CC 1 1.112 4 2 0 -6.29129142176171 4289101 C1COCCN1C2=NC3=C(S2)C(=CC(=N3)C4=CC=CS4)C(F)(F)F 1 3.572 3 1 -0.398588036284074 4289004 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)C6=CC=CS6 1 3.959 6 3 0 -9.46191414923491 4288952 CCC1=NN=C(O1)SCC(=O)NC2=CC=C(C=C2)F 1 2.057 3 2 -17.4870364618762 4288896 CC1=C(C(=CC=C1)C)NC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3 1 6.037 3 0 -10.3726774371086 4288893 CC1=C(C(=CC=C1)C)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CS3 1 6.927 2 0 -10.7351094514886 4288892 CC1=C(C(=CC=C1)C)NC(=S)N(CCN2CCCCCC2)CC3=CC=CO3 1 6.297 3 1 -9.78903770635246 4288887 CC1=C(C(=CC=C1)C)NC(=S)N(CCCN2CCCCC2)CC3=CC=CO3 1 5.904 3 1 -8.97526688458608 4288795 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C 1 1.859 3 6 0 -18.3708144496668 4288693 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CCC(=O)C2=CC=C(C=C2)F 1 2.087 2 5 0 -14.2270476191777 4288685 C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=CN4C=CC=CC4=N3 1 1.345 3 3 0 -13.8308749755691 4288637 CC1=C(C(=CC=C1)C)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CS3 1 5.502 4 0 -5.20810688030868 4288468 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-] 1 2.14 2 6 0 -9.26364886869889 4288199 CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC 1 0.982 2 8 0 -24.4978211854491 4288120 CC1=C(N2C=CC=CC2=N1)C(=O)NN=C3CCCC3 1 1.403 4 1 0 -8.56032199653882 4287993 C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-] 1 2.353 3 6 0 -18.0827501152721 4287978 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)NN=C3C4CC5CC(C4)CC3C5 1 4.28 3 3 -6.46190993235001 4287885 CC1CN(CC(O1)C)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2OC 1 0.437 2 6 0 -22.0506033414414 4287861 CC1=CC=C(C=C1)C(=NN=C2N(C(=O)C(S2)CC(=O)O)C3=CC=CC=C3)C 1 4.065 3 3 -11.237935734245 4287856 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C3=CN4C=C(C=CC4=N3)C 1 2.563 3 3 -13.427053503864 4287854 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)C(=O)NCCC5=CC(=C(C=C5)OC)OC 1 1.931 5 5 0 -32.091366343182 4287754 CC1=C(C=C(C=C1)S(=O)(=O)NN=C2CCC(CC2)C(C)(C)C)[N+](=O)[O-] 1 3.657 3 4 0 -10.4132707695152 4287726 COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)NCCN4CCOCC4 1 2.146 4 3 0 -7.22939182835368 4287709 CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCC3CCCO3 1 2.994 1 5 -18.7514564026447 4287698 CC1(C(=O)N(C(=O)N1)CC(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O)C 1 1.673 3 5 0 -14.9323973218043 4287683 C1CCN(CC1)C(=O)C2=CC(=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)C67CC8CC(C6)CC(C8)C7 1 5.513 3 3 -10.33680357648 4287678 COC1=CC=CC(=C1)NC(=O)COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)N 1 2.015 3 5 0 -8.97030611924306 4287634 CC1=CC(=C(C=C1)C)S(=O)(=O)NC(C)C(=O)NCC2=CC=CC=N2 1 1.905 3 3 0 -15.9729958639302 4287548 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NC3=C(C=CC(=C3)C)C 1 3.287 3 2 -18.1507557984632 4287529 C1=CC=C(C=C1)CC(=O)NC(C(Cl)(Cl)Cl)NC2=CC=CC3=CC=CC=C32 1 5.235 2 1 -15.7332674619865 4287474 CC1=CC2=CC=CC=C2N1CCNC(=O)C 1 1.667 2 1 0 -10.0591394095242 4287451 CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)N3CCCCCC3 1 4.856 4 3 0 -6.44895473899938 4287440 C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3 1 3.608 1 3 -6.94743401639344 4287394 CC1=NC2=C(N1C)C=CN=C2 1 0.661 3 0 0 1.87342280815096 4287337 CC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)F 1 1.787 2 2 0 -16.4665502671852 4287320 C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.81 2 5 0 -19.7502318573953 4287298 CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C)Br 1 4.59 3 1 -11.4497148478784 4287235 CC(C)(C)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCC3 1 1.959 3 4 0 -21.35509833444 4287219 CC(=NNC(=S)N)C1=CC(=CC=C1)NC(=O)C 1 0.9 4 1 0 -7.60444343891187 4287090 CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2C=NNC(=O)C3=CC=NC=C3)Br)Br 1 4.947 3 3 -2.66103612023494 4287001 CC1=CC=C(C=C1)OC(=O)C(C)C2=CC=CC(=C2)C(=O)C3=CC=CC=C3 1 5.649 0 3 -5.58893374321097 4286972 CC1=C(C=C(C=C1)NC(=O)C2=CN=C(C=N2)C)S(=O)(=O)N(C)C 1 0.627 4 3 0 -17.2172425334757 4286969 CC(=NNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CC=C(C=C3)Br 1 2.708 3 4 0 -24.8814267150993 4286968 C1=CC=C(C=C1)N2C=CC(=N2)NC(=O)C3=CC=C(C=C3)C#N 1 3.259 4 1 -3.46199519345894 4286807 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)CCOC2=CC=CC=C2OC 1 3.693 1 8 0 -14.128866554472 4286487 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)C5=CC=C(C=C5)F 1 4.937 4 3 0 2.6549620014319 4286294 CC1=CC(=C(N1CC2CCCO2)C)C3=NN=C(SC3)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 1 2.478 5 4 0 -30.048572042506 4286266 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC4=CC(=CC=C4)Cl 1 1.769 3 6 0 -18.2437276240243 4286213 CC1=C(N=C(N=C1C)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C 1 2.271 4 4 0 -22.5862991469769 4286137 CC1CC(CN(C1)C(=O)CSC2=NN=C(O2)C3=CC=C(S3)Cl)C 1 3.446 3 2 -14.9967041067931 4286055 C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3Cl 1 3.703 2 3 -8.45706628172563 4285960 COC1=C(C=CC(=C1)C=NN2C(=NN=N2)N)OCC=C 1 1.164 6 2 0 -13.7455976067437 4285953 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 3.568 3 3 -3.04738955951547 4285938 CC(C1=CC(=C(C=C1Br)OC)OC)NC(=O)C2=CC=C(C=C2)OC 1 3.698 1 4 -10.804923850164 4285928 COC1=CC(=CC(=C1OC)OC)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3 1 2.098 4 8 0 -16.8347942041981 4285914 C1=CC(=CC(=C1)F)C(=O)NCC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 1.92 4 4 0 -7.8045137269653 4285887 COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCSC)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3 1 2.573 2 10 0 -23.8733693614313 4285783 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NCCC3=CC(=C(C=C3)OCC)OCC 1 3.324 3 4 0 -14.5654761722442 4285769 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)N3CCCCC3)N4C=NN=N4 1 1.348 6 2 0 -21.4629944181214 4285767 C1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4 1 0.861 6 2 0 -22.5014080391707 4285602 CC1=C(C=C(C=C1)NC(=O)C2=CNC(=O)C=C2)S(=O)(=O)N3CCCCC3 1 0.941 3 4 0 -20.2433425050574 4285599 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4 1 3.372 2 4 -13.4340229344778 4285541 CC12CC(C3=C(O1)C=CC(=C3)[N+](=O)[O-])NC(=S)N2CCC4=CC(=C(C=C4)OC)OC 1 4.587 3 5 0 -7.34241960261224 4285508 CC(C1=CC=CO1)N(C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.017 3 4 0 -9.19156361748677 4285450 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC2=CC=CC=C2C(=O)NCC3=CC=CC=C3 1 2.846 3 4 0 -20.1068515758496 4285255 CC(C)(C)C(=O)C=C1NC(=O)C(=CC2=CC=CC=C2F)S1 1 3.662 1 2 -2.04414136232951 4285110 CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(S2)C=CC(=C3)S(=O)(=O)N4CCCCC4)N 1 3.548 3 3 -20.2742146505102 4285109 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SC(=C3N)C(=O)NCCC4=CC=C(C=C4)Cl 1 4.048 3 3 -17.7272983997188 4285108 CC(C)CCNC(=O)C1=C(C2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCCC3)N 1 3.059 3 3 -24.1970200210487 4285007 CC1=CC=CC=C1NC2=NC3=CC=CC=C3N2C(C)C 1 4.218 3 0 -0.828889968187434 4284997 CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 1.531 4 4 0 -29.9500697083788 4284967 COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)O 1 4.456 2 5 0 -7.93782098956259 4284966 CCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NC(C)C 1 2.758 1 2 -12.3445123445198 4284926 CC1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)C(C)C)N(C)C(=O)C3=CNC(=O)C=C3 1 3.086 3 3 -11.3282154483743 4284745 CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)CN3C=NC(=N3)[N+](=O)[O-] 1 1.261 8 4 0 -18.3802111533725 4284744 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CN3C=NC(=N3)[N+](=O)[O-] 1 1.277 8 3 0 -18.4806044772894 4284691 CCOC(=O)C1=C(N(C(=NC(=O)COC2=CC=CC=C2)S1)C)C 1 2.494 2 4 -8.97273996292675 4284634 CSC1=CC=CC(=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-] 1 4.264 3 5 0 -16.3765401467893 4284629 CCC(C)NC(=O)C1=CC=C(O1)CS(=O)(=O)CC2=CC=C(C=C2)Cl 1 3.542 1 4 -11.8661803989986 4284615 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CN(CC4)C(C)C)C(=O)NC 1 2.121 4 5 0 -33.211255181757 4284597 C1=CC(=CC=C1CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)Cl 1 3.045 2 3 -13.6654502194546 4284571 CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3CC=CCC3C(=O)O 1 3.573 2 3 -19.113799264501 4284457 CC(=O)NC1=NN=C(O1)C2=COCCO2 1 -1.296 3 4 0 -5.91460031888631 4284428 CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCC(CC4)C)C 1 3.806 4 3 0 -18.1346147205531 4284398 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl 1 5.268 1 3 -7.4917981848029 4284362 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN=CC2CCC=CC2 1 3.59 2 4 -10.8270132335987 4284309 C1CC(=O)N(C1)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)NC2=S 1 3.314 4 3 0 -26.6810838812547 4284293 COC1=CC=CC(=C1)CNC(=O)CCNC(=O)C2=CC=C(O2)Br 1 1.876 2 4 0 -17.5278889472842 4284206 CCCN1C2=CC=CC=C2N=C1CNC(=O)C3=CC=CS3 1 3.362 3 1 -7.8337844145014 4284197 CCC(C)(C(=O)NC1=CC=CC=C1C)N(C2=CC=C(C=C2)C)C(=O)CNC(=O)C 1 3.144 3 3 -15.5285311779261 4284193 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC2CC(=O)N(C2=O)C3=CC=C(C=C3)F)Cl 1 2.321 3 4 0 -11.3922768250398 4284114 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NS(=O)(=O)C4=CC=CS4 1 1.532 3 5 0 -16.3232285064769 4284083 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3=CC=C(S3)Cl 1 3.826 1 4 4.92511651925019 4284051 CN1C(=O)C(=C(NC1=O)NC2=CC=C(C=C2)F)[N+](=O)[O-] 1 1.208 4 4 0 -5.49600822477607 4284019 CC1=NC2=C(C(=NN2C(=C1)N)C3=CC=CC=C3)C4=CC=CC=C4 1 3.643 4 0 0.57093570312748 4283919 CC(=NOCC(=O)NC1=CC=C(C=C1)OC(F)(F)F)C2=CC3=C(C=C2)OCCO3 1 4.218 2 5 0 -4.90231078968399 4283873 COC1=C(C=C(C=C1)C(=O)NC2CCCC3=CC=CC=C23)[N+](=O)[O-] 1 3.515 2 4 -10.9915631240099 4283864 CC(=NNC(=S)NC)C1=CC=C(C=C1)N2CCOCC2 1 2.062 4 1 -9.65303004661801 4283840 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NN=C(N3N)C 1 0.259 7 2 0 -22.7061207770518 4283776 CC1C(=O)N(C(=NC2=CC=CC=C2)S1)S(=O)(=O)C3=CC=C(C=C3)C 1 4.21 2 3 -6.69739105512181 4283774 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl 1 2.434 4 3 0 -10.2446539330221 4283704 CC1=CC=C(S1)C(=O)NCC(=O)OCC(=O)NC(C)C2=CC=CC=C2 1 1.864 2 4 0 -18.4880029639776 4283694 CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O 1 3.627 2 7 0 -18.3652365837637 4283575 CCCCN1CC(CC1=O)C(=O)NCC2=CC=C(C=C2)C 1 2.131 2 2 -17.4177974084419 4283568 C1CCC(C1)(C2=CC=C(C=C2)F)C(=O)OCC(=O)N3CCC4=CC=CC=C43 1 4.262 1 3 -9.85569282271159 4283567 C1=CC=C2C(=C1)C=CC(=N2)NN=CC3=CC=CC=C3Br 1 4.285 3 0 6.15420043100673 4283561 CC1CCCC(N1C(=O)COC(=O)CC2=CNC3=CC=CC=C32)C 1 2.951 2 3 -11.4477785277916 4283512 CN(C)C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)F)C3=CNC4=CC=CC=C43 1 4.658 3 2 -6.07405567442037 4283445 CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3CCCO3)N 1 2.879 3 4 0 -16.4455563912795 4283428 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC3=C(C=C2)N=CS3)C 1 2.473 3 3 -14.8180239029497 4283376 CC(C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=CC(=CC=C2)CN3C=C(C=N3)[N+](=O)[O-] 1 4.527 4 3 0 -13.1274748011931 4283374 C1C(C1C(=O)NN)C2=CC=C(C=C2)Cl 1 1.382 2 1 0 -0.960163062761151 4283361 COC1=CC=CC=C1NC(=S)N2CCN3C=CC=C3C2C4=CN=CC=C4 1 4.379 4 1 -16.0781862532696 4283310 COC1=C(C=C(C=C1)CCN(CC2=CC=CC=N2)C(=S)NC3=CC=CC=C3OC)OC 1 5.551 3 3 -13.7475297433025 4283309 CC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=S)NC3=CC=CC=C3OC 1 5.749 3 1 -12.0394819147156 4283308 COC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=N3 1 5.263 3 1 -13.0227098165076 4283307 COC1=CC=CC=C1NC(=S)N(CC2=CN=CC=C2)CC3=CC=CC=C3Cl 1 5.712 3 1 -10.561883729003 4283306 CC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC=CC=C3OC 1 5.534 3 1 -10.9371594096193 4283305 COC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3 1 5.048 3 1 -11.9203873114113 4283303 COC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC=CS3 1 5.938 2 1 -12.2828193257913 4283095 CC1CN(C2=NC3=C(N2C1)C(=O)NC(=O)N3C)C4=CC(=CC(=C4)C)C 1 2.656 5 2 0 -5.76992504280544 4283009 COC1=CC=C(C=C1)CCNC(=O)CC2C(=O)N=C(S2)NCC3=CC=CC=C3OC 1 3.204 3 4 0 -17.7221554348204 4282973 C1CCC(C1)CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.834 2 6 0 -26.1230685650665 4282959 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)F 1 1.147 4 5 0 -11.4598724512007 4282910 CC1CCCCC1NC(=O)COC(=O)C2=C(C=CS2)C 1 3.362 1 3 -17.5578294620863 4282908 CC(=NNC(=O)OC)C1=C(C2=CC=CC=C2C=C1)OC(F)F 1 3.356 2 3 -3.20265788008805 4282851 C1CS(=O)(=O)CC1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 1.459 3 5 0 -20.3914342108315 4282811 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br 1 4.48 2 3 -6.75657561514518 4282683 CC1CC2=CC=CC=C2N1C(=O)CON=CC3=CC=CC=C3OC(F)F 1 3.795 2 3 -4.37012582582105 4282665 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F 1 2.167 5 3 0 -15.3950787654155 4282663 CCCCC1=C2CCCC2=C3C4=C(C(=NC=N4)SCCN(C)C)SC3=N1 1 5.728 4 0 -8.77601825553108 4282623 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)F)C(=O)C4=CC=CO4 1 2.928 3 4 0 -8.46706610515095 4282621 COC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Cl)OC 1 3.649 5 4 0 -21.9602504214469 4282588 CN1C2=C(C(=O)N(C1=O)C)N3CC(=NN(C3=N2)C4=CC=CC=C4)C5=CC=C(C=C5)Cl 1 3.536 6 2 0 -5.30037424561888 4282581 CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NCCOC)OC)OC 1 5.291 2 4 -20.121793435651 4282472 C1=CC=C(C=C1)C(=O)NCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.476 3 3 0 -12.163378769698 4282381 CCC1CC2=C(O1)N=C(C3=C(N=C(C(=C23)C#N)N4CCOCC4)N)N 1 1.168 6 2 0 -7.47607974879012 4282382 C1=CC=C(C=C1)C(CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)NC(=O)C3=CC=CC=C3Cl 1 2.904 3 4 0 -18.2102108391169 4282422 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)NC(=O)C3=CC4=C(S3)CCCC4 1 5.589 2 3 -8.54545693564462 4282421 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-] 1 1.777 4 7 0 -19.6276921344403 4280965 COC1=CC2=C(C=C1)N=C(CC(=O)N2)C3=CC=CC=C3 1 2.526 2 2 -3.19195531354493 4280951 C1CCC2=C(C1)C(=NN2)C(=O)NN=CC3=CC=CC4=CC=CC=C43 1 3.847 4 1 -7.55259473995303 4280898 CC(C(=O)O)SCC1=CN2C=C(C=CC2=N1)Cl 1 1.964 2 2 0 -7.31147206158191 4280881 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)N(C)C 1 4.337 2 4 -8.63265956463682 4280855 CC1=CC(=NC=C1)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=CO2 1 2.399 3 4 0 -8.46871108014291 4280773 CC(C(=O)NN=CC1=CC=NC=C1)NC2=CC3=CC=CC=C3C=C2 1 2.585 4 1 -5.84399868413294 4280744 CN(CC(=O)NC1=CC(=CC(=C1)OC)OC)S(=O)(=O)C2=CC=CS2 1 1.337 2 5 0 -13.6770759038985 4280739 CCOC1=C(C=C(C=C1)CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C)OCC 1 3.719 1 5 -22.2634124059163 4280734 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.649 2 3 -7.63969402031758 4280557 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3)N 1 2.36 3 5 0 -15.6188012698257 4280340 CCN(CC)C(=O)COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4OC)OC 1 4.73 4 5 0 -20.3723328946194 4280339 CC1=CC=C(O1)C=NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.047 3 4 0 -5.70532850607055 4280336 CC1CCCC(N1C(=O)COC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4)C 1 3.386 3 4 0 -14.1187694981646 4280308 CS(=O)(=O)N1C(=CC(=N1)OC(=O)C2=C(C=CC(=C2)Br)Cl)N 1 2.816 3 4 0 -4.33855020567985 4280295 CC1=CC(=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br)Cl 1 2.166 4 3 0 -10.9128268768596 4280274 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)NCCC2=CCCCC2)C 1 3.88 1 4 -15.9943069493676 4280225 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)O)Cl 1 2.125 4 4 0 -4.54651049281719 4280213 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)COC(=O)C3=CC(=CC=C3)O 1 4.148 1 5 -8.46086001002699 4280205 C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N)O)[N+](=O)[O-] 1 0.972 3 6 0 -8.54005524909385 4280155 C1CCN2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC(=CC=C4)Br 1 3.463 4 2 3.47682259346345 4280128 COC1=C(C=C2C(=C1)C(=NC(=S)N2)NC3CCCC3)OC 1 3.566 3 2 -7.50970129859375 4280127 COC1=C(C=C2C(=C1)C(=NC(=S)N2)NC3CCCCCC3)OC 1 4.478 3 2 -7.86416981276183 4280124 COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCC3=CN=CC=C3)OC 1 2.596 4 2 -8.4958855216048 4280122 COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCC3=CC=CS3)OC 1 3.487 3 2 -8.7776120311933 4279962 CCOC1=CC=C(C=C1)S(=O)(=O)NN=C(C)CC2=CC=C(C=C2)OC 1 2.708 2 4 -6.40407796808284 4279961 CCN(CC)C1=CC=C(C=C1)C(=O)NN=C(C)C2=CC(=CC=C2)OC 1 3.507 3 2 -11.7379981728602 4279947 CC1=CC=CC=C1C(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 1 2.561 1 3 -14.431515218385 4279714 CC1CCCC(N1C(=O)COC2=C(C=C(C=C2)C=NNC(=O)N)OC)C 1 1.714 4 4 0 -16.843456824505 4279676 CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCC3=CN=CC=C3)OC4=CC=C(C=C4)F 1 3.95 3 3 -22.6663522703114 4279658 C1CC(=NN=C(N)N)CCC1C2=CC=CC=C2 1 1.872 4 0 0 2.80807253868712 4279595 C1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)CC=NO 1 3.687 2 1 6.69935501292985 4279549 CCOC1=CC=C(C=C1)OCCN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43 1 3.343 3 4 0 -3.89546697199359 4279459 CC1=C(C(=NO1)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 0.673 3 7 0 -28.1620012595153 4279458 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=CC=C3 1 2.445 3 5 0 -17.7670227920768 4279449 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC(=O)OCC(=O)C3=CC=CC=C3 1 3.506 2 4 -12.8381641512535 4279389 CCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)N(C)C)N)C#N 1 1.803 4 1 0 -15.4774093379189 4279338 CCC(C1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 3.311 3 5 0 -10.5419598560224 4279337 COC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5 1 2.299 4 3 0 -8.64939525679694 4279334 C1C2CC3CC1CC(C2)(C3)NC(=O)NNC(=O)C4=CC=C(O4)CN5C=CC=N5 1 2.052 5 3 0 -11.3917608788737 4279280 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4CCCCC4)C 1 2.853 2 5 0 1.06985782252999 4279256 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 3.317 5 3 0 -15.8403322272876 4279251 CCC1CCCCN1C(=S)NC2=CC=C(C=C2)OC(F)F 1 5.672 2 1 -7.63496596774207 4279249 C1=CC=C2C(=C1)C=C(C(=NNC(=O)C3=CC=CS3)O2)C(=O)N 1 1.909 3 3 0 -7.65378899814703 4279202 CC1=C(C(=NN1C)C2=NNC(=S)N2CC(C)C)Cl 1 3.182 5 0 -4.22104793199334 4279167 COC1=C(C=C(C=C1)C=NN(CC2=CC=CC=C2)C3=CC=CC=C3)O 1 4.979 2 2 4.57348118580606 4279066 C1=CC=C2C=C(C=CC2=C1)C(=O)NCCN3C=C(C4=CC=CC=C43)SCC(=O)NCC5=CC=CO5 1 4.461 3 3 -18.0842727920544 4278959 COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4 1 4.958 3 4 0 -8.65684971840901 4278807 CCC1C(=O)N(C2=CC=CC=C2O1)CC3=CC=CC=C3C 1 3.903 1 2 -2.62338618836028 4278748 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=CC=C(C=C3)OC 1 3.25 2 2 -8.34840591191512 4278723 CCOC1=CC=C(C=C1)C2=CN(C(=O)N2)C3=CC(=CC=C3)SC 1 2.996 2 2 -1.9369878427212 4278698 COC1=C(C=C2C(N(CCC2=C1)C(=O)CSCC(=O)O)C3=CC=CC=C3)OC 1 2.779 1 5 -22.4488241367875 4278697 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O 1 1.468 2 7 0 -20.525480070067 4278695 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3 1 2.2 3 6 0 -19.5180269801308 4278633 CC1=CC(=CC=C1)NC(=S)NC(C)CCC2=CC=CC=C2 1 5.736 2 0 -5.87109711307483 4278558 COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)NCC(OC)OC)OC 1 1.734 2 6 0 -19.550440704585 4278529 CC1(OC(C(O1)C(=O)NC2CCCCC2)C(=O)NC3CCCCC3)C(C)(C)C 1 3.449 2 4 -6.66452808488929 4278516 COC1=NC(=C2C(=C1)C(=C(N=C2N)N3CCCC3)C#N)N 1 1.586 6 1 0 -6.6222533622098 4278465 CCOCCCNC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC=CC=C3OC 1 2.6 3 3 -14.7451627513156 4278464 CCOC(CNC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC=CC=C3OC)OCC 1 2.955 3 4 0 -11.272583604149 4278438 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N 1 1.427 2 6 0 -16.2284143284519 4278435 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN=C(CCC(=O)O)C3=CC=CS3)[N+](=O)[O-] 1 2.7 4 6 0 -22.5524524054008 4278409 C1=CC2=C(C=CC(=C2)C=NNC3=NC(=O)C(S3)CC4=CC=C(C=C4)SC(F)F)N=C1 1 5.541 4 1 -3.8110428134591 4278369 CC1CCC(CC1)NC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4OC 1 3.869 2 3 -14.9033963060904 4278367 CC1CCC(CC1)NC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5 1 3.654 2 4 -14.3519029794956 4278361 CCC1CCCCN1CCCNC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CC(CC(C4)C)C 1 2.64 5 4 0 -32.2918498115663 4278357 C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=NOC=C5 1 1.852 6 4 0 -4.95068896225513 4278306 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C(=O)C5=CC=CC=C5NC4=O 1 1.345 4 5 0 -9.16181930118585 4278302 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4NC3=O 1 1.649 4 4 0 -8.13221334076053 4278296 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CN3C(=O)C4=CC=CC=C4NC3=O 1 2.33 4 3 0 -3.41404620860602 4278238 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NCCCN3CCOCC3 1 1.268 3 4 0 -13.7780798906152 4278231 CCCCNC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2OC)N 1 3.628 3 2 -12.1183358477093 4278224 CCC(CC)C(=O)NCCC1=CC2=C(C=C(C=C2)C)NC1=O 1 3.189 2 2 -12.0226292871516 4278191 COC1=CC(=C(C=C1)NC(=O)C2=CC=C(S2)[N+](=O)[O-])[N+](=O)[O-] 1 2.465 3 6 0 -1.8720335702424 4278116 C1CC2=CC=CC=C2N(C1)C(=O)C(=O)C3=CN(C4=CC=CC=C43)CC(=O)N5CCOCC5 1 2.69 3 4 0 -17.8942420449126 4278108 COC1=CC=C(C=C1)CCNC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 2.265 3 5 0 -19.2475054738659 4278107 COC1=CC=CC=C1CCNC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 2.265 3 5 0 -23.7787544809698 4278105 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NCC4=CC=CS4 1 1.7 3 4 0 -21.3822914891392 4278099 CCN1C(=NNC1=S)CN2N=C(N=N2)C3=CC=C(C=C3)C 1 2.463 7 0 0 -2.64194942901987 4278096 C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 -0.745 6 2 0 -27.3256048121426 4278092 C1=CC=C2C(=C1)NC(=O)N(N2O)C3=CC=CC(=C3)C(=O)O 1 1.625 3 4 0 -8.21570197410723 4278088 C1=CC=C2C(=C1)NC(=O)N(N2O)C3=C(C=CC(=C3)C(=O)O)O 1 1.384 3 5 0 -4.76667015976489 4278084 CC1=C(C=CC=C1N2C(=O)NC3=CC=CC=C3N2O)C(=O)O 1 2.112 3 4 0 -6.28713817904617 4278082 C1=CC=C2C(=C1)NC(=O)N(N2O)C3=C(C=CC(=C3)C(=O)O)Cl 1 2.29 3 4 0 -5.63974879085707 4278078 COC1=C(C=C(C=C1)C(=O)O)N2C(=O)NC3=CC=CC=C3N2O 1 1.609 3 5 0 -8.17520128625103 4277976 C1=CC=C2C(=C1)NC(=O)N(N2O)C3=CC=C(C=C3)C(=O)O 1 1.625 3 4 0 -7.63230137661106 4277970 CCN(CC)C1=C(C=C(C=C1)N2C(=O)C3CCCCC3C2=O)[N+](=O)[O-] 1 3.21 3 4 0 -6.55399210170192 4277940 C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC=CC=C3F)C4=CC=C(C=C4)F 1 4.405 2 2 -16.5241891780322 4277891 C1=CC=C2C(=C1)C=NN=C2SCC3=C(N4C=CC=CC4=N3)Br 1 3.723 4 0 -0.904673972469083 4277738 C1=CC=C(C=C1)CCN2C=C(NC2=S)C3=CC=C(C=C3)Br 1 4.816 2 0 0.589051011432999 4277734 COC1=CC=CC=C1N2C=C(NC2=S)C3=CC=C(C=C3)Br 1 4.567 2 1 -0.940659384116155 4277658 CC1(CC1(Cl)Cl)C(=O)N2CCOCC2 1 0.679 1 2 0 -4.88352883007664 4277554 CNC(=S)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC 1 4.696 3 1 -8.23363850269915 4277351 CCNC1=NC2=NN=C(N2C(=N1)NCC)SC(C)C(=O)C3=CC=C(C=C3)C 1 3.836 7 1 0 -11.7222807666133 4277341 CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCC(CC3)C(=O)O)Br 1 1.198 2 5 0 -18.2796028308943 4277284 COC1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=C(C=N3)Cl)C(F)(F)F 1 4.764 4 1 7.28706587012244 4277132 CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CO3 1 1.67 8 3 0 -24.6689017309747 4277116 CCN(CCNC(=O)C1CCC(=O)N1CC2=CC=C(C=C2)C)C3=CC=CC=C3 1 3.259 3 2 -14.1689900511023 4277114 CC1=CC=C(C=C1)CN2C(CCC2=O)C(=O)NCC3=CC=CC=C3Cl 1 3.347 2 2 -13.1234330378008 4277111 CC1=CC=C(C=C1)CN2C(CCC2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.935 3 2 -6.91685927456443 4277078 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4 1 2.859 3 6 0 -23.0525730417061 4277062 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCCN2C(=O)C3=C4C(=C(C=C3)N5CCOCC5)C=CC=C4C2=O 1 3.986 3 7 0 -16.6183783434766 4277056 C1=CC(=NC=C1C(F)(F)F)C(=O)N 1 1.052 2 1 0 -1.01673737800761 4276963 CC1=CC=CC=C1NC(=S)N(CCN2CCOCC2)CC3=CC=CC=C3F 1 5.149 3 1 -8.29320362470181 4276960 CC1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC=CC=C3F 1 5.149 3 1 -6.42997016568966 4276958 C1COCCN1CCN(CC2=CC=CC=C2F)C(=S)NC3=CC=CC=C3Cl 1 5.328 3 1 -5.72784657728338 4276794 CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 1.999 4 4 0 -11.6095927646069 4276699 C1=CC(=CC(=C1)F)NC(=O)C2=CC=C(O2)Br 1 2.783 1 2 -2.66099131104054 4276668 CC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC=C(O3)C 1 6.028 2 1 -10.7957586352316 4276656 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.212 3 5 0 -9.23526759653137 4276654 C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CSC3=NC(=O)C=C(N3)N 1 2.989 4 2 -15.6556625579506 4276619 CCC1CCCCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C 1 3.238 2 3 -13.9022214427092 4276561 C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4 1 3.656 5 2 0 -16.8909052557277 4276517 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4 1 1.38 2 8 0 -28.2375368788522 4276496 CCCCN1C(=O)C2C(C1=O)C(NC2C3=C(C=C(C=C3)OC)O)(CC(C)C)C(=O)O 1 -0.205 2 6 0 -2.29553650293566 4276478 CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C4=NC(=NN42)C 1 3.482 5 1 -15.3006010211834 4276364 CC(=NNC(=O)C1CC1)C2=C(C=C(C=C2)OC(F)F)OC(F)F 1 3.368 2 3 -6.61152372633082 4276362 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CC=CC4=CC=CC=C43 1 3.744 2 6 0 -11.6618687939209 4276255 CCNC(=O)NC(=O)C(C)ON1C2=C(C=CC(=C2)S(=O)(=O)N(CC)CC)N=N1 1 -1.256 6 5 0 -19.746148522652 4276240 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC2=CC=C(C=C2)OC 1 2.912 2 5 0 -15.7322897911365 4276202 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl 1 0.846 2 5 0 -19.3051460289067 4276201 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC(=O)CNC(=O)C2=CC=CO2 1 1.749 2 9 0 -25.9115147261665 4276113 COC1=CC=CC=C1NC(=S)N(CCN2CCCCCC2)CC3=CC=CS3 1 5.867 3 1 -9.49294389625498 4276109 COC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2Cl)CC3=CC=CC=N3 1 5.927 3 1 -7.29248746707461 4276108 COC1=CC=C(C=C1)NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)CC3=CC=CC=N3 1 5.551 3 3 -11.6960757285427 4276107 CC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=S)NC3=CC=C(C=C3)OC 1 5.749 3 1 -9.62219269328458 4276093 CC(C1=CC=CC=N1)N(CC2=CC=CO2)C(=S)NC3=CC(=CC=C3)F 1 5.151 3 1 -5.09491415931194 4276005 CCOC(=O)C1CCN(CC1)C(C2=CC=CC=N2)C3=C(NC4=CC=CC=C43)C 1 3.802 3 2 -7.37473831510808 4275980 C1=CC(=CC=C1C2=CNC(=S)N2)[N+](=O)[O-] 1 1.521 3 2 0 -4.15349061587413 4275885 CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C(=C(C=C3)OC)OC)OC)C(=O)N1 1 0.837 3 5 0 -17.4465085423265 4275860 COC1=CC=C(C=C1)NC(=S)N(CCN2CCCCC2)CC3=CC=CO3 1 4.853 3 2 -8.91945835922417 4275846 C1=CC(=CC(=C1)F)C(=O)NN2C(C(=O)N(C2=S)C3=CC=C(C=C3)Cl)CC(=O)N 1 2.791 4 3 0 -8.93141314109468 4275540 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 2.198 3 4 0 -19.8778214959176 4275508 COC(=O)C1=C(N=CC=C1)NC(=S)NNC(=O)C2=CC=NC=C2 1 1.367 5 3 0 -9.51192081797888 4275507 COC(=O)C1=C(N=CC=C1)NC(=S)NNC(=O)C2=CC=CC=C2 1 2.518 4 3 0 -9.70939816958531 4275504 CC(C)NC(=S)NC1=C(C=CC=N1)C(=O)OC 1 2.482 3 2 -14.1083467261059 4275454 COC1=C(C=C(C=C1)CC(=O)N2CCN=C2SC)OC 1 2.31 2 3 -11.8094812016541 4275453 CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.192 4 7 0 -29.2134733313784 4275413 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=CS3 1 1.079 2 6 0 -25.8404393679656 4275410 C1COCCN1C2=CC=C(C=C2)C=NNC3=CC(=C(C=C3)Cl)C(=O)O 1 3.592 3 3 -3.29518737481598 4275406 CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC=CN2C 1 2.793 3 1 -7.1842330693352 4275325 CC1=CC2=C(N1)C=CC(=C2)CNC(=S)NC3=CC=C(C=C3)OC(F)(F)F 1 6.654 3 1 -3.36943922019197 4275156 CC(=C)CN=C1C(=C(C(S1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)N)C(=O)N 1 1.376 4 4 0 -16.7262840979827 4275155 CC1CCCC(N1N=CC2=CC=C(C=C2)NC(=O)C)C 1 2.356 3 1 -6.09192076599013 4275093 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=C(C=CC(=C3)F)F 1 1.633 2 5 0 -10.7895469813138 4275077 C1COCCN1CCCNC(=O)C2=CC=C(O2)CSCC3=CC(=CC=C3)Cl 1 3.196 2 3 -10.8315032346765 4275065 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NN=C(S3)C4CC4 1 1.641 4 3 0 -18.119188025406 4275052 C1=CC(=CC=C1C2=NOC(=C2NO)N=O)[N+](=O)[O-] 1 2.276 4 5 0 0.179377939860363 4275033 CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=NNC3=CC=C(C=C3)Br 1 5.518 2 3 1.71794665295292 4275014 CN1CC(C2(C13C4=CC=CC=C4N(C3=O)C)C(=O)N(C(=S)S2)CC5=CC=CO5)C6=CC=CC=C6 1 4.208 3 3 -0.772154006109363 4274991 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)OC 1 3.476 2 4 -11.2318586881328 4274961 CC1=CC(=C(C=C1)C23CCC(=O)N2C(CS3)C(=O)O)C 1 2.359 1 3 -5.01586088816168 4274938 C1=COC(=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=C(C=C(C=C3)F)F 1 1.714 4 4 0 -20.7483510818428 4274895 CC1=C(NC2=C1C(=O)CC(C2)C3=C(C=CC(=C3)OC)OC)C(=O)OCCOC 1 3.068 1 6 0 -13.5416910054464 4274872 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.185 2 7 0 -25.7314158286195 4274739 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)CC2=CC=C(C=C2)Br 1 2.708 2 5 0 -16.687224726613 4274669 CC(C1CC2CCC1C2)NC(=O)COC(=O)CNC(=O)C3=CC=CC=C3Cl 1 2.711 2 4 -16.3723745691892 4274641 CC1CCCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C 1 2.254 4 6 0 -27.2460521816649 4274507 C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-] 1 1.173 3 6 0 -7.57299118808868 4274506 C1=C(OC(=C1)Br)C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-] 1 1.301 3 6 0 -6.63871956462518 4274474 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.19 3 4 0 -21.5069878314967 4274445 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 2.25 2 5 0 -20.7989944044516 4274443 C1=CC2=NN=C(N2C=C1)SCC(=O)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.476 6 4 0 -20.2959777765872 4274338 COC1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=N)N(C=N4)CC5=CC=CO5 1 3.571 3 4 0 0.49169558771123 4274228 CC1=CN=C(C=C1)NC2(C(=O)NC(=N2)C3=CC=CC=C3)C(F)(F)F 1 3.027 4 1 -3.00547568029023 4274220 CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=NNC(=O)CC2 1 1.397 3 5 0 -21.0399149638157 4274216 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 3.238 3 4 0 -11.0736560951462 4274167 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=S)NC2=CC=CC(=C2)C 1 4.651 3 3 -16.3380800170776 4273978 CC1=C(C=C(C=C1)Cl)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O 1 4.382 2 3 -10.5260533000987 4273859 CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=NN2C)OCC 1 1.853 5 3 0 -28.1700789376736 4273858 CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=C(C=C2OC)OC)OC 1 1.411 2 7 0 -22.5673395150576 4273857 CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NCCCCCC(=O)O 1 3.33 5 5 0 -27.7285401907405 4273842 CCOC(=O)C1(CCN(CC1)CCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3 1 3.185 2 5 0 -7.97587148731772 4273764 C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=C(C=C(C=C5)F)F 1 5.773 3 2 -12.3010189269604 4273754 CCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)C 1 5.659 1 1 -1.36152441368068 4273714 C1=CC=C(C=C1)CCNC(=O)COC2=C(N=CC=C2)[N+](=O)[O-] 1 2.06 3 4 0 -11.368393038892 4273555 C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=N4)Cl)Cl 1 5.565 4 1 -5.14353082670745 4273530 CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=C(N2)C)C(F)(F)F 1 2.47 4 1 -2.98388004189233 4273529 CC1=C2C(=NC(=NC2=O)C(F)(F)F)N(N1)C3=CC(=CC=C3)Cl 1 2.649 4 1 -0.324340665669738 4273527 CC(=O)NC1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.501 3 4 0 -8.63086836276387 4273494 C1=CC=C(C=C1)C2=NN(C(=C2)NC3=CC=CC=C3N)C4=CC(=CC=C4)Cl 1 5.595 4 0 6.49323571303659 4273391 C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)O)C#N)C3=CC=CO3 1 1.496 3 5 0 -25.2374586791079 4273233 CC1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C 1 2.605 2 3 -16.6791067977444 4273225 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CN=CC=C3)CC4=CC=C(C=C4)Cl 1 2.458 6 2 0 -16.75616978695 4273158 CC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=CO3 1 1.224 3 3 0 -11.4565546852389 4273106 C1CC(C2=CC=CC=C2C1)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)O 1 3.366 3 2 -1.56201046789042 4273088 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C 1 0.631 5 5 0 -10.1798088474447 4273034 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CN4C=C(C=CC4=N3)Cl 1 2.975 3 4 0 -14.9432617726512 4272985 CC1=CC(=NN1C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C(F)(F)F 1 2.007 6 4 0 -19.1505378195532 4272947 CC(C)(C)C1=CSC(=N1)NC(=O)CSC2=NCCS2 1 3.322 3 1 -14.3992910903258 4272876 CC1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC)NC(=O)CC3=CC=CS3 1 3.851 2 3 -14.134247429021 4272776 CC1=C(SC=C1)CNN2C=NN=C2SCC3=CC=C(C=C3)Cl 1 4.049 4 0 -6.44415495537341 4272764 CC(C)N(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)F 1 5.563 2 0 -6.25329919471171 4272720 C1=CC=C(C=C1)CCC2C(=O)N(C(=O)N2)CCOC3=CC(=CC=C3)Br 1 3.922 2 3 -1.63812303217107 4272594 CC(C1=CC=CC=C1)NC(=O)COC(=O)CCOC2=CC=CC=C2OC 1 2.773 1 5 -17.7114713123952 4272564 COC1=C(C=CC(=C1)C2N(C(=O)CS2)CC3=CC=CC=C3)O 1 2.987 1 3 -8.50800594235337 4272484 CC1=CC(=NC=C1)NC(C2=CC=NC=C2)C3=C(NC4=CC=CC=C43)C 1 3.525 4 0 -0.697360189331843 4272444 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 1.357 2 7 0 -21.8878517692662 4272435 CCN(CC)C(=NN1C=NC2=CC=CC=C2C1=O)SCC=C 1 3.107 4 1 -9.25270386662283 4272410 CC1=CC(=NC2=CC=CC=C12)NN=C3CCCC4=CC=CC=C43 1 4.785 3 0 4.15581278933415 4272400 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5 1 2.141 5 3 0 -11.1663783100471 4272393 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)N3CCCC4=CC=CC=C43 1 3.171 3 3 -14.8742462336026 4272332 C1=CC=C(C=C1)CCNC(=O)C(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4 1 4.931 2 2 -5.56340337383835 4272280 C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CSC3=NNC(=N3)N 1 3.202 5 1 -8.35659473887851 4272143 C1=CC(=CC(=C1)Cl)SCC2=CC(=NO2)C3=CC=C(C=C3)Cl 1 5.763 1 1 7.51951408257225 4272091 CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N 1 3.869 5 3 0 -14.78634842529 4272027 CCCCC(=O)NC1=CC=CN2C1=NC=N2 1 1.325 4 1 0 -11.9594858058824 4272025 C1CN(CCN1CCOC(=O)C2=CC=C(C=C2)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.113 3 2 2.31097972860249 4271999 CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C)NC3=CC=CC=C3)[N+](=O)[O-] 1 2.234 6 3 0 -3.62900105878805 4271986 CC1(C(N(C(=S)S1)N=CC2=CC=C(C=C2)N(C)C)N(C(=O)NC)O)C 1 3.412 5 2 0 -7.58468172966726 4271961 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(O3)C4=CC=CC=C4 1 2.984 4 2 -3.6286679721795 4271960 CC1=CC=CC=C1NN=CC2=C(N(C(=O)S2)CC3=CC=CC(=C3)C(=O)OC)Cl 1 4.684 3 3 -2.43688737637641 4271935 COC1=C(C=CC(=C1)C=NO)OC2=NC=CN=C2 1 1.438 3 3 0 -1.30396595878011 4271890 CCCCC1C2(C(=N)OC3(O1)CCCCC3C2(C#N)C#N)C#N 1 2.319 4 2 -3.1328048568698 4271843 CCN1C=C(C(=C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC=CC=C3 1 4.419 1 3 0.979896711521284 4271833 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=NC=CC(=C5)Cl 1 1.872 2 2 0 -3.30315007794221 4271811 CCCC1=NC2=CC=CC=C2C(=O)N1CC(=O)C3=CC=C(C=C3)OC 1 3.397 2 3 -7.8952640821101 4271806 C1=CC=C(C=C1)C(=O)C2=NN(C(=O)C=C2C(F)(F)F)C3=CC=CC=C3 1 4.008 2 2 -2.10075149851463 4271770 C1CC(N(C1)C(=O)C2=CC=CC=C2Cl)(C#N)C3=CC=CC=C3 1 3.781 2 1 -5.38964277118776 4271758 CCOC(=O)C1=C(C2=CC=CC=C2CC1C3CCCC3)N 1 3.366 1 2 -7.39732656268327 4271743 C1CCCC(=NN2C(=O)CSC2=S)CC1 1 2.976 2 1 -7.77183433313418 4271676 CCOC(=O)CSC1=NNC(=N1)NC(=O)C2=CC(=CC=C2)C 1 2.521 4 3 0 -12.8996179365217 4271675 CC(=O)C1=CC=C(C=C1)OC2=NC=CN=C2 1 1.367 2 2 0 -4.24599085009832 4271674 CCOC(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F 1 3.925 1 3 -0.593310591208566 4271672 C1=CSC(=C1)C2=NC3=C(C(=C2)C4=CC=C(C=C4)F)C(=C(S3)C#N)N 1 4.788 3 0 3.02479711829132 4271663 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 3.115 4 2 -17.359893362059 4271646 CCC(C)C(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C 1 4.912 1 5 -14.663623759101 4271642 COC(=O)C1=C(C=CS1)NC(=O)CSC2=C(C=CC(=C2)Cl)Cl 1 4.145 1 3 -9.43865006119558 4271628 CCC1(CC2=CC=CC=C2C3=C1C(=O)N=CN3)C 1 2.397 2 1 -7.68284025394189 4271610 CC1=CC2=C(C=C1)SCC(C2=O)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.604 1 2 0.296209448749787 4271607 CC1=CC2=NC(=C(N2C=C1)C=NOCC3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl 1 5.751 3 1 5.42802377234985 4271606 CC(C1=NC(=NC=C1)N)OC2=CC=C(C=C2)Cl 1 2.756 3 1 2.36228124531005 4271604 CCC(=O)N1C(CC(C2=CC=CC=C21)N(C3=CC=CC=C3)C(=O)C)C 1 3.02 2 2 -8.43872085048169 4271567 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)C3=CNC(=C3)C(=O)NCC4CCCO4 1 4.061 3 4 0 -15.7693445824578 4271566 CNC(=S)NNC(=O)C1=C(C2=C(S1)C=C(C=N2)C(F)(F)F)C3=CC=CC=N3 1 3.589 5 1 -3.25545601193975 4271530 C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NCCCN3CCCC3=O 1 2.436 3 6 0 -40.3115651770845 4271463 COC1=CC=C(C=C1)C2=NN(C=C2)C3=NC(=CC=C3)F 1 3.962 3 1 4.89421405540901 4271424 COC1=CC=CC(=C1)C(=O)COC(=O)CCC(=O)C2=CC=CC=C2 1 2.88 0 5 -12.6461753569792 4271312 C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N(C(=O)N3)CC(=O)NCCC4=CC=C(C=C4)F 1 2.549 4 3 0 -11.173879254035 4271294 C1C(N(C(=O)N(C1=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F 1 2.887 4 4 0 -9.8533353308188 4271244 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 2.572 2 4 -17.1248255283461 4271236 CC(C)(C)C(=O)C=C1NC(=O)C(=CC2=CC(=CC=C2)OC)S1 1 3.44 1 3 -4.02391389438103 4271203 CC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NC2=C(S1)CCCC2 1 2.939 3 1 -10.7411358757941 4271199 CC(=O)NC1(C2=C(CC(CC2=O)(C)C)N(C1=O)CC3=CC=CC=C3)C(F)(F)F 1 2.107 2 3 -12.1000672439874 4271185 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)SC3=NN=C(S3)N 1 3.561 4 3 0 -10.5941152832932 4271122 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC(=O)C3=C(N(C(=O)N(C3=O)C)CC4=CC=CC=C4)N)C)C 1 2.989 5 5 0 -18.420469039085 4271044 CCCCCCCCCS(=O)(=O)NN=CC1=CC(=CC=C1)[N+](=O)[O-] 1 4.313 3 4 0 -5.7704713455113 4271022 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 1.698 2 7 0 -21.1608161221724 4271012 CCCN1C2=C(N=C1C3=CC(=C(C(=C3)OC)OC)OC)N(C(=O)NC2=O)CC4=CC=CC=C4 1 4.026 4 5 0 -6.14642399303089 4270974 CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C3CCCN3C2=O 1 0.816 3 4 0 -8.99641964580415 4270919 CCC1=CC=C(C=C1)NC(=O)CN(CC(C)O)CC(=O)NC2=CC=C(C=C2)CC 1 3.315 3 3 -5.898821327945 4270820 CCOP(=O)(C(C1=CC=CC=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)OCC 1 2.801 2 6 0 -11.9607423336462 4270681 CCN1C(=NN=C1SCC(=O)OC(C)C)C2=CC=CC=C2 1 3.19 3 2 -12.7431985577154 4270536 CC1CN(CC(N1)C)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC=C3C 1 3.99 4 3 0 -1.32645035764392 4270515 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5 1 4.435 5 1 6.57181741999803 4270502 CCCSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3 1 5.876 4 0 -9.8094675107348 4270496 COC1=C(C=C(C=C1)NC(=O)CCCC2CCCCC2)S(=O)(=O)N3CCCCC3 1 4.252 2 4 -20.034560336071 4270469 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NC3=CC=CC=C3 1 4.384 3 3 -20.0026531606509 4270448 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CON=C(C)C3=CC=CS3 1 1.52 4 3 0 -12.4101205289727 4270371 C1=CC=C(C=C1)OC2=CC3=C(C=C2)NC(=C3)C(=O)O 1 3.604 1 3 6.20451482358291 4270362 CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)N4CCC5=CC=CC=C54 1 4.56 2 3 -14.7535637546287 4270333 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCCO4 1 0.912 2 8 0 -27.8345650377143 4270318 CC1CN(CC(O1)C)CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC 1 1.839 3 4 0 -11.9006408482349 4270310 COC(=O)C1=CC=C(C=C1)C2C3=C(C(=O)N2CCCN4CCOCC4)OC5=CC=CC=C5C3=O 1 2.102 2 6 0 -14.6530891559459 4270301 C=CCNC(=O)C1=CC=C(C=C1)C2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl 1 5.311 2 1 -3.7288076605834 4270235 CC1=NC(=NN1C2=C(C=C(C=C2)Cl)Cl)C(=O)N(C)C 1 2.477 4 1 -0.938436634609315 4270232 C1C(N2C(=O)C3=CC=CC=C3N=C2S1)CSC4=CC=CC=C4NC(=O)C5=CC=CC=C5 1 5.058 3 2 -20.4679530355864 4270211 CCCCC(C(=O)O)NC(=O)CC1=C(C2=C(C=C3C(=C2)C4=C(O3)CCCC4)OC1=O)C 1 4.637 1 6 0 -22.7515734333309 4270191 CCOCCCNC(=O)C(C1=CC=CC=C1)N(CC2=CC=CS2)C(=O)CNC(=O)C 1 1.022 3 4 0 -21.0253306071127 4270177 CCCN1C2=C(C=C(C=C2C3(C1=O)N(N=C(S3)NC(=O)C)C(=O)C)C)C 1 2.645 4 3 0 -11.2081319118532 4270143 C1CCN(CC1)CC2=CC(=O)N=C(N2)C3CC3 1 1.231 3 1 0 -5.44437098082967 4270038 COC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C3(C4=CC=CC=C4)C5=CC=CC=C5 1 3.593 1 3 1.00302896265602 4270021 C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=CC(=CC=C4)S(=O)(=O)N 1 2.378 2 3 -11.6918768854523 4270012 C1=CC=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC=C(C=C3)F 1 2.904 2 2 -5.47384730877269 4269985 CC1=C(SC2=NC=NC(=C12)NN=CC3=CC=C(C=C3)OC)C 1 3.885 4 1 1.37257938751716 4269977 C1=CC=C(C=C1)NC(=O)CC2=NC(=O)C3=CC=CC=C3S2 1 3 2 2 -6.35658216720441 4269976 CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCCCN2C=CN=C2 1 2.009 4 2 -5.34861837755687 4269927 C1CS(=O)(=O)CC1N(CC2=CC=CS2)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 1.804 2 6 0 -18.2416370612041 4269829 CSC1=C(C(=O)N(C(=C1)C2=CC=CC=C2)CC3=C(C=C(C=C3)Cl)Cl)C#N 1 4.628 2 1 2.69794892147385 4269779 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CNC(=O)C=C3)N4CCOCC4 1 0.742 4 6 0 -10.7980170239434 4269692 CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NC5=C(C4C6=CC(=C(C=C6)O)O)C(=NN5C7=CC=CC=C7)C 1 5.932 6 2 0 -0.868847240813606 4269674 COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4)SC5=C2SC(=O)N5 1 3.266 2 4 -4.19715904852122 4269647 CCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=N1)SCC(=O)O 1 2.836 2 3 -23.1802966710881 4269636 CC1=NC(=NN1C2=C(C=CC(=C2)Cl)Cl)C(=O)N(C)C 1 2.477 4 1 -1.92199876776091 4269635 C1=CC=C2C(=C1)N=CC(=N2)OC3=CC=CC=C3Cl 1 4.057 2 1 2.89953098744541 4269634 C1CS(=O)(=O)CCN1C(CC(=O)O)C2=CC(=CC=C2)C(F)(F)F 1 -1.014 1 4 0 -9.22550620341333 4269617 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=C(C=C4)Cl 1 2.707 3 4 0 -17.219341968219 4269537 CCCC=NNC(=O)C1COC2=CC=CC=C2O1 1 1.807 2 3 0 -4.74660355213556 4269491 CC1=CC=C(N1C2=NC=CC(=N2)C3=CC=CO3)C 1 3.081 3 1 0.633974315188234 4269490 CN1CC(C(C1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 2.969 1 2 0.455072569016653 4269415 CC1=C(SC2=C1C(=O)NC(=N2)C(C)NC3=C(C=CC(=C3)NC(=O)C)OC)C 1 2.16 4 3 0 -13.132430186923 4269389 C1=CC=C(C=C1)C(=O)NN=CC2=C(N=C(S2)[O-])[N+]3=CC4=CC=CC=C4C=C3 1 3.655 4 2 -8.7601996417354 4269377 CC1=C(SC2=C1C(=O)NC(N2)C3=CC=CC=C3F)C 1 3.072 2 1 -2.63507579345162 4269366 C1CCCC(CC1)NC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 4.33 2 3 -11.3799932891515 4269348 CCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35 1 2.822 5 2 0 -19.4652100333028 4269230 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC(=O)NC(C)(C)C)C 1 1.333 4 4 0 -12.0060140251045 4269270 CC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(S2)C(=O)C3=CC=CC=C3C 1 4.486 3 3 -8.24246928022926 4269269 C1=CC(=C(C=C1Cl)Cl)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N 1 4.575 2 1 4.63945785754347 4269177 CC1=NN(C(=O)N1C2=CC(=CC=C2)F)CC#N 1 1.134 4 1 0 -4.3747680820904 4269150 CCCCCC(=O)NN1C(C(=O)N(C1=S)C2=CC=C(C=C2)OC)CC(=O)NC3=CC=CC=C3 1 4.058 4 4 0 -16.9693985869965 4269140 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O 1 1.153 2 7 0 -23.0638992443825 4269087 CN=C(C1=CC(=CC=C1)C(F)(F)F)NC2=CC=C(C=C2)Cl 1 4.481 2 0 4.68962305365741 4269084 COC1=CC=C(C=C1)CNC2=C(C=CC=N2)[N+](=O)[O-] 1 2.488 3 3 -3.98478937068274 4269045 COC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N 1 0.491 6 4 0 -0.403421932973006 4268984 CC(C)(CCl)C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2C(=O)OC 1 4.026 1 4 -5.42749427898005 4268960 CN1C2=C(C(=O)NC1=O)N(C(=N2)N)CC(COC3=CC=C(C=C3)OC)O 1 0.594 5 5 0 -1.59965577450181 4268959 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC(=C(C=C2)O)OC)N(C)C(=O)C3=CC=C(C=C3)N4C=NN=N4 1 3.2 6 4 0 -17.6002155713498 4268858 CC(=NNC(=O)CNC(=O)C1=CN=CC=C1)C2=CC=CC=C2 1 0.573 4 2 0 -15.858336912939 4268779 CC1=CC(=NN1C2=NC3=C(C4=C(S3)CCCC4)C(=N2)SCC(=O)O)C 1 4.233 4 2 -18.394806018664 4268741 C1CC(C2=CC=CC=C2C1)NC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4 1 4.884 1 2 -6.0888999510561 4268528 CC1=CC=C(C=C1)CC(=O)CCC2=CC=CC=C2 1 4.236 0 1 -2.09299081399984 4268463 CC1=CC=CC=C1S(=O)(=O)C2=C(C=C(NC2=O)C3=CC=CC=C3)C 1 3.164 1 3 -9.17012049409382 4268460 CC1=C(SC(=N1)C2=CC=CC=C2)C3=NN=C(N3C)SCC#C 1 4.555 4 0 -3.0079980056261 4268449 CC1=C(C(=NO1)C)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br 1 3.175 1 3 -9.05897638736382 4268417 CN(C)CCCNC1=NC(=C(C(=N1)NCCO)[N+](=O)[O-])N 1 -0.868 7 3 0 0.820106312337163 4268328 CCCC=NNC1=NC(=O)C(=NN1)CC2=CC(=C(C=C2)OC)OC 1 2.009 5 3 0 -19.7292373349433 4268299 CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5 1 5.286 4 3 0 -7.85991130547633 4268252 CC(=O)C1=NOC(C1)CNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.294 3 2 0.949024347770466 4268221 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 3.943 2 7 0 -14.5169015776198 4268215 CC(CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3)O 1 1.199 5 3 0 -7.58260556819838 4268164 CCCCN1C2=C(C=C(C1=NC(=O)C3=CN=CC=C3)C#N)C(=O)N4C=CC=C(C4=N2)C 1 2.203 6 2 0 -21.5767125759903 4268088 CC1=C(N(C=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.592 2 0 3.32362048748355 4268036 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NCCC3=CC=CC=C3 1 1.212 2 7 0 -25.2142143755795 4268030 C=CCN(CC(=O)O)S(=O)(=O)C1=CC=CC=C1C(F)(F)F 1 1.987 1 4 0 -14.0625756239096 4267981 C1=CC=C(C=C1)CC=NNC(=O)CCN2C3=CC=CC=C3N=N2 1 2.521 5 1 -15.6574558701256 4267904 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Br)C(=O)O 1 4.834 3 4 0 -20.642142410903 4267867 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCCO)C(=O)CC 1 1.321 2 5 0 -6.5502166875085 4267862 C1=CC=C(C=C1)C(C#N)N(CCCCl)C(=O)C2=CC=C(C=C2)Br 1 4.169 2 1 -6.39965303971034 4267853 CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)C5=CC=CC=C54 1 4.007 1 2 -20.8391362311533 4267827 CC1(C(N(C(=S)S1)N=CC2=CN=CC=C2)N(C(=O)NC3CCCCC3)O)C 1 3.957 5 2 0 -5.29056163367442 4267756 COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)OC)[N+](=O)[O-] 1 2.656 3 7 0 -16.5800546922716 4267751 C1COCCN1C2=NC=C(C(=N2)Cl)Br 1 1.424 3 1 0 4.13361087364546 4267746 CCCNC(=O)C1=CSC(=N1)NC2=CC=CC3=CC=CC=C32 1 3.157 3 1 -5.31550598346541 4267660 COC1=CC(=CC(=C1OC)OC)NC(=O)CN2CCN(CC2)C3=CC=CC=N3 1 1.925 4 4 0 -7.22123649549597 4267640 CSCCC(C(=O)NCC1=CC=CS1)N2C(=O)C3=CC=CC=C3C2=O 1 2.057 2 3 -20.1552324389061 4267633 CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CC=C3)NS(=O)(=O)C 1 1.485 2 7 0 -17.1552646190006 4267596 CON=C(C1=NON=C1N)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 1.564 7 4 0 -4.13262139412288 4267592 C1COC(=O)C1OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-] 1 0.556 2 6 0 -8.8637958942666 4267574 C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.422 4 4 0 -7.9501119634217e-002 4267563 COC(=O)CC(C1=CC=C(C=C1)Br)NC(=S)NC(=O)C2=CC=CC=C2 1 4.227 2 3 -11.6318304473305 4267560 COC(=O)CC1=C(N(C=CC1=O)CCC2=CC=C(C=C2)S(=O)(=O)N)O 1 0.784 2 6 0 -10.6674133530635 4267553 CC(C)NC(=S)NN=C1CCC(CC1)C2=CC=CC=C2 1 3.966 3 0 -9.66634330920663 4267542 COC1=CC=CC(=C1OCC=C)C=NNC(=O)N 1 1.393 3 3 0 -9.96450693356122 4267535 CC1=C(C(=O)N=C(N1)N2CCOCC2)C(C(Cl)(Cl)Cl)O 1 0.638 3 3 0 -11.8158697494345 4267450 CCC1(CC2=C(CO1)C=C(C(=N2)Cl)C#N)C 1 2.558 2 1 -5.13227127769727 4267422 CC1(C2CC=C(C1C2)C=NNC(=O)C3=CC=CC=C3O)C 1 2.89 2 2 4.37169081777027 4267356 CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 4.336 2 1 2.07268088096966 4267313 CC1C(=NNC2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC=CC=C4 1 1.574 6 2 0 -14.9422109591657 4267309 CC1=CC(=NN1C2=NC3=C(C4=C(S3)CCCC4)C(=N2)SCC(=O)N)C 1 3.605 5 1 -17.0162317265986 4267305 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=NC=C2)SC 1 3.838 3 1 -2.95757492117345 4267269 CC(=NNC(=O)N)C1=CC=C(C=C1)N2C=CN=C2 1 0.459 5 1 0 -7.31823414042876 4267265 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OC(C)C(=O)NCC4=CC=CO4 1 2.239 4 7 0 -26.8794806557946 4267246 CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CCCC3 1 0.896 2 3 0 -15.8023249604081 4267186 COC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)Br 1 2.593 2 4 -15.8070235433643 4267002 CC(C(C1=CC=CC=C1)N2CCOCC2)NC(=O)C3=CC(=CC=C3)C(F)(F)F 1 3.796 2 2 -6.63755314954879 4266997 CC(C)CC1=CC=C(C=C1)C(C)NC2=NCCC2 1 3.501 2 0 0.664788647897959 4266995 CC(C(=O)NC1=C(C=CS1)C(=O)N)OC2=CC=C(C=C2)Cl 1 2.387 2 3 -8.02620329927152 4266993 CC1=CC(=NN1C2=C(NC3=CC=CC=C32)C)C 1 2.923 3 0 -1.15401694467523 4266988 C1=CC(=CC=C1C(=O)OC(CC#N)CNC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl 1 4.809 3 2 2.48426051403785 4266964 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NCC3=CC=CS3)C 1 1.945 3 3 0 -13.5053956981542 4266952 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)C)C 1 0.839 2 6 0 -24.4891247212655 4266950 C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 0.907 3 5 0 -18.1486850766278 4266948 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)N4CCCC4=O 1 2.23 3 4 0 -28.2225435307467 4266941 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4 1 1.429 4 5 0 -13.8240504750132 4266940 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CNC(=O)C3=CC=CC=C3Cl 1 2.175 3 4 0 -14.7923744731595 4266935 CC1=CC=C(C=C1)S(=O)(=O)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4 1 4.305 3 4 0 -11.4177774165231 4266840 C1COCCN1C(=O)CN2C(=O)C3C4CC(C3C2=O)C(C4Br)Br 1 0.138 2 4 0 -12.7933802605017 4266818 COC(=O)CC1C2C(C(ON2OC1C(=O)OC)C(=O)OC)C(=O)OC 1 -1.258 1 10 0 -8.76383432528552 4266788 CC(C)OCCCNC(=O)COCC(=O)NC1=CC=C(C=C1)OCCC2=CC=CC=C2 1 2.292 2 5 0 -15.4229190480756 4266620 CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC=C(C=C3)C(=O)N(C(C)C)C(C)C 1 5.06 5 4 0 -7.51493599138867 4266512 CC1=C(OC2=C1C(=NO)CCC2)C(=O)O 1 1.799 1 4 0 -6.43862597661002 4266511 C=CCNC(=S)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CS3 1 2.324 4 2 -28.5852226803827 4266505 CCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCCCC4 1 5.718 4 0 -8.29562455912644 4266498 CCOC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4 1 3.102 8 3 0 -26.6169795034853 4266456 C1COCCN1CCN2C=NC3=C(C2=N)C(C4=C(O3)C5=CC=CC=C5C=C4)C6=CC=CC=C6 1 3.799 4 2 -5.61616825232029 4266361 CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3OC 1 4.015 3 3 -7.92315162784772 4266221 C1C(C2=C(C1=O)SC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.606 1 2 -5.32759564235271 4266104 C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CS3 1 2.714 4 1 -9.64911768006576 4266072 C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N 1 1.518 2 5 0 -15.8940300461104 4265994 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 0.268 3 6 0 -27.6694964508816 4265899 CS(=O)(=O)C1=CC=CC=C1COC(=O)NC2=CC=C(C=C2)Cl 1 3.367 1 4 -6.25220016427565 4265895 C1=CC=C2C(=C1)N=C(C(=N2)NN=CC3=C(C=CC=C3Cl)Cl)C(F)(F)F 1 5.514 4 0 2.18171925738559 4265862 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CN(C)C 1 1.257 3 3 0 -20.3054042876126 4265816 C1CS(=O)(=O)CC1NC(=O)CSC2=NN=C(N2N)C3=CC=CS3 1 0.231 5 3 0 -24.481342851956 4265814 CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(=N2)C(=O)C3CO3)C4=CC(=CC=C4)Br 1 3.129 2 4 -7.97366970443656 4265791 C1CN(CCN1C(=O)C2=CC=CO2)C34CC5CC(C3)CC(C5)C4 1 2.739 2 2 -6.14437605215877 4265790 CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2(CC2(Cl)Cl)C 1 3.263 1 3 -5.49295584565383 4265784 COC(=O)CNC(=O)CN1C(=O)C2(CCCC3=CC=CC=C32)NC1=O 1 0.481 3 5 0 -13.8926742795119 4265709 CC1=C2C(=NN1)OC(=C(C23C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C#N)N 1 0.559 6 4 0 -9.24053301948658 4265630 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CO3 1 0.814 2 5 0 -18.7350762110773 4265554 CC1=CC=C(C=C1)OCC(=O)NNC(=O)CCC(=O)NCC2=CC=CC=C2 1 1.535 3 4 0 -16.5386368367881 4265272 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3CCS(=O)(=O)C3)C4=CN=CC=C4 1 1.734 5 4 0 -21.9410413414738 4265250 CC1(CC2(CC(N1)(C)C)C3(C4=CC=CC=C4CCN3C(=O)O2)C)C 1 2.529 2 2 -10.247432713118 4265241 CN(CCOC1=CC=CC=C1)CCOC2=CC=CC=C2 1 3.584 1 2 0.513365301290605 4265204 CC(C)(C)OC(=O)NCCC(=O)NN=CC1=NC2=C(C=C1)C=C(C=C2)OC 1 2.5 4 4 0 -11.2075712168038 4265203 CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CO3 1 2.672 1 4 -12.8362933734612 4265159 COC1=C(C=C(C=C1)C=NNC2=NS(=O)(=O)C3=CC=CC=C32)OC 1 2.232 3 4 0 -8.5659034579311 4265158 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)CC3=CC=CC4=CC=CC=C43 1 3.785 2 5 0 -21.388688423885 4265095 CN(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.056 3 5 0 -16.5797151302311 4265072 CCC(C)NC(=O)C1=CN(C=N1)C2=CC=CC(=N2)C 1 2.057 4 1 -12.4118792185038 4264972 C1=CC=C2C(=C1)C3=C(C=CN3)C(=O)O2 1 2.335 1 2 -2.6434124242482 4264970 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)ON=C(C)C3=NC=CS3 1 3.197 3 3 -5.34621180290074 4264967 CCOC(=O)C1=NOC(C1)CNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.767 3 3 -0.67747843389476 4264966 CN1CCN(CC1)C2=CC=C(C=C2)C3=CC=NN3C(=O)NC4=CC=CC=C4 1 3.765 5 1 1.01232310369103 4264883 CC1=C(C(=CC=C1)C)OCC2=NN=C(O2)SCC(=O)NC3=NC=CS3 1 2.653 4 3 0 -21.0845743115771 4264843 CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C3=NC(=NC=C3)SCC=C 1 4.161 4 1 -6.31310940516856 4264832 C1CN(CCC1C(=O)NCCC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)Br 1 4.53 3 1 -5.67534185922852 4264801 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC3=CC=C(C=C3)OC 1 4.021 2 3 -14.4784601294681 4264800 CC1=CC=C(C=C1)NC(=O)NC(CC(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.894 3 5 0 -11.6964112173558 4264798 CSC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4 1 2.113 4 3 0 -5.91446215484249 4264794 CCOC(=O)C1=CC2=C(C=C1)N3C=CN=C3C(=N2)C4=CC=C(C=C4)F 1 3.541 3 2 -0.563519987729777 4264792 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(S3)N=C5C=CC=CN5C4=O 1 1.778 4 4 0 -27.6772378821358 4264741 CC(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2CCCC2 1 3.341 1 3 -10.564003690457 4264682 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F 1 3.866 3 5 0 -16.6847265406848 4264650 CCNC(=O)CC1C(=O)N(C(=S)N1NC(=O)C2=CC=CC=C2)CC 1 1.248 4 3 0 -18.941658508779 4264578 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)CN3C=NC4=CC=CC=C43 1 1.363 4 6 0 -24.8651639335753 4264561 CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3OC 1 2.815 5 3 0 -20.8819657597147 4264519 C1=CC2=NN=CN2N=C1NN 1 -0.665 6 0 0 -2.13587609626972 4264518 COC1=C(C=C(C=C1)CCN2C(=O)C3=C4C(=C(C=C3)C(=O)OC)C=CC=C4C2=O)OC 1 3.498 1 6 0 -5.31063670466781 4264496 CCCCC(=O)NC1(C(=O)N(C(=O)N1)CC2=CC=CC=C2)C(F)(F)F 1 2.799 3 3 -8.66455915455805 4264495 CCOC(=O)NC1(C(=O)N(C(=O)N1)C2=CC=C(C=C2)F)C(F)(F)F 1 2.411 3 4 0 -5.34468083958492 4264345 C1=CC(=CC(=C1)NN=CC2=CC=NC=C2)C(=O)NN=CC3=CC=NC=C3 1 2.001 6 1 0 -4.41337998338951 4264330 CCN1C(=NN=C1SCC(C2=CC=CC=C2)O)C3=CC=CC=C3 1 3.829 3 1 -5.68114740909873 4264326 C1=CC(=CC=C1CCNC(=O)COC2=NC=NC3=C2C=CC(=C3)[N+](=O)[O-])Cl 1 3.434 4 4 0 -5.03844198809495 4264319 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4CCOCC4)C(=O)NCCC5=CC=C(C=C5)OC 1 1.477 6 4 0 -25.0508127303503 4264294 C1=CC=C(C=C1)C(=NCS(=O)(=O)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-] 1 5.078 4 4 0 -15.0429326488937 4264276 CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)NCCO)CC)C 1 2.487 3 2 -5.73310629521289 4264257 CC1=CC=C(S1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5 1 2.683 8 4 0 -23.2665500275714 4264255 CC1=CC(=C(C=C1)OC)NC(=O)C(=O)N2CCCC2 1 1.441 2 3 0 -10.3732475572263 4264247 COC1=CC(=C(C=C1)N2C=NC3=C(C2=O)SC4=NC(=C5CCCCC5=C34)N6CCOCC6)OC 1 4.604 4 4 0 -10.5774545916699 4264243 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(C)(C)C 1 3.103 3 4 0 -8.49197591600992 4264242 COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)NCC3CCCO3 1 2.644 4 3 0 -13.622319841595 4264208 COC1=CC=CC=C1NC2=C(C=NC=C2)[N+](=O)[O-] 1 2.107 3 3 -1.95881165291066 4264201 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)N=CS4 1 2.732 3 3 -21.1959082830573 4264071 C1=CC=C(C=C1)N=C(C2=CC=CC=N2)NN=CC3=C(C=C(C=C3)Cl)Cl 1 5.127 4 0 3.25846417187576 4263972 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NN=C2CCCCCC2 1 4.334 2 2 -7.46944065018933 4263947 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3N2C 1 3.647 3 2 -8.79017245094134 4263946 COC1=C(C=C(C=C1)C=NNC(=O)CC2=CC=C(C=C2)Cl)OC 1 3.349 2 3 -7.08556881259635 4263866 CC(C)(C)N1C(=O)C2=CC=CC=C2NC(=O)N1CC3=CC=CC=C3 1 2.876 3 2 -4.35165689627504 4263865 CCOC(=O)C(C)OC1=NC=NC2=C1C(=CC=C2)F 1 2.656 2 3 -6.50218681853892 4263852 C1CN(CCC1OC(=O)C2=CC=C(C=C2)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.127 2 2 -1.35173662836523 4263763 CC(C)(C)CC(=O)NC1=CC(=C(C=C1)N2CCOCC2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.852 3 5 0 -12.7254737608978 4263740 CC1=CC=C(N1C2=C(C=CS2)C3=CC4=NC(=CC(=O)N4N3)COC)C 1 1.537 4 2 0 -8.95190149777905 4263739 COC1=CC=CC=C1C2CC(=NC3=CC=CC=C3S2)C4=CC=CS4 1 5.432 1 1 -3.09575737119433 4263738 C1=CC=C(C=C1)C(=O)CC(C2=CC(=CC=C2)Cl)C(=O)O 1 3.574 0 3 -2.94161394516621 4263731 CCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)C 1 3.877 2 2 -13.7065213390801 4263719 COC1=C(C=C(C=C1)C2C=C(NC(=S)N2)C34CC5CC(C3)CC(C5)C4)OC 1 4.63 2 2 -5.90412423204856 4263717 COC1=CC=C(C=C1)C(=O)NN2C(C(=O)N(C2=S)C3=CC=C(C=C3)OC)CC(=O)N 1 1.888 4 5 0 -12.8172300963325 4263716 CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 5.613 4 2 -25.7356876038536 4263704 C1CCC(CC1)C=NNC(=O)CNC2=CC=CC(=C2)C(F)(F)F 1 3.64 3 1 -3.97748466189163 4263693 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)Cl)OC3=NC=C(C=C3)[N+](=O)[O-] 1 4.174 4 5 0 -8.86116049725189 4263613 CC1(CC(CCO1)(CC(=O)O)C2=CC=C(C=C2)Cl)C 1 2.883 0 3 -12.2862603920499 4263608 COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4C#N 1 2.815 5 3 0 -13.0887933993427 4263603 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)N4CCCC4 1 2.558 4 4 0 -9.37318907980996 4263541 CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)S(=O)(=O)CC)S(=O)(=O)C3=CC=CC=C3 1 2.391 1 7 0 -20.9804363314046 4263437 COC(=O)C1=NN(C(=C1C=NOCC2=C(C=CC=C2Cl)Cl)Cl)C3=CC=CC=C3 1 5.577 3 3 -2.66750850201397 4263434 COC1=CC=C(C=C1)OCCN2C(=O)C3(CCC4=CC=CC=C4C3)NC2=O 1 3.195 2 4 -2.19954130034983 4263366 CCOC(=O)C(CN1CCCC1)C2=CC=CC=C2 1 2.579 1 2 -7.00481837766604 4263297 CC1=CC=C(C=C1)C(=O)CC(=O)COC2=CC=C(C=C2)Cl 1 4.131 0 3 3.75436081315586 4263296 C1=CNC(=C1)C(=O)COC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.49 1 4 -5.93464662499598 4263285 CC1=C(C(=CC=C1)C)NC2=NN=C(S2)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl 1 4.607 5 3 0 -28.5281549415076 4263257 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OC4=NC=C(C=C4)C(F)(F)F 1 4.748 3 3 2.22339660306487 4263255 CC1=CC2=C(C=C1)SCCC2=NOS(=O)(=O)C3=CC=CC=C3 1 3.944 1 3 -0.42228709465814 4263247 COC1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)OC)OC 1 3.544 2 4 -4.11567582785029 4263208 CC1=CC=C(C=C1)C(=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5)C 1 3.051 8 4 0 -27.4777901987964 4263090 CN1CCN(CC1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C=C3 1 4.082 3 0 9.33809565820738 4263016 CCCCC(C(=O)NC(=O)NCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 3.206 3 4 0 -16.7719593040079 4263013 CC(=NNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2)C3=CC4=CC=CC=C4C=C3 1 3.846 3 3 -6.19068878416007 4262960 CC(=C)CC(C(=O)NCC1=CC=CC=C1)N2CCOCC2 1 2.17 2 2 -13.5989408059784 4262892 C1=CC(=CC=C1C=NOCC2=C(C=C(C=C2)Cl)Cl)OCCCF 1 5.054 1 2 4.05250011047645 4262889 C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3NC2=O)Cl 1 3.085 2 1 -7.53925545160662 4262874 COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)OCC#N 1 0.79 5 5 0 -17.9703138039176 4262839 CCOC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C 1 1.945 2 7 0 -26.6128414566535 4262836 C1=CC2=NC(=CN2C=C1Cl)CSCC(=O)O 1 1.48 2 2 0 -9.02764723553499 4262808 C=CCCCCCCCCC(=O)NNC1CC(=O)N(C1=O)C2=CC=CC=C2 1 3.503 3 3 -14.6088519103275 4262733 CCCCC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3 1 3.829 4 1 -3.02335086194507 4282311 CC(=O)NC1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3OC2=S 1 3.07 3 3 -8.9250311175557 4282307 C1=CC=C(C(=C1)NC(=O)CCN2C3=CC=CC=C3OC2=S)Br 1 4.698 2 2 -7.38376741072149 4282255 COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3CC3 1 2.211 3 4 0 -4.26279449217526 4282243 C1CN(CC2=CC=CC=C21)CC(COC3=C(C=C(C=C3)F)Cl)O 1 3.969 1 2 -7.41491518714601 4282213 CC1CCCN(C1)C(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 2.066 3 2 -17.6803151483315 4282171 COC1=CC=CC(=C1)C2C(=O)N(CC(=O)N2CC3=CC=C(C=C3)F)C4CCCCC4 1 3.881 2 3 -5.55958378338445 4282161 CC1=CC=C(C=C1)C(=O)NCC(=O)NC2=CC(=CC=C2)OC 1 2.144 2 3 -10.7385189924165 4282138 CCCCNC(=O)CN1C(=O)C2(CCCC3=CC=CC=C32)NC1=O 1 2.103 3 3 -11.9842109800052 4282108 CC1=CC(=C(C=C1S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O)C 1 3.037 2 8 0 -4.39881118873594 4282022 CCC(CC)C1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 2.448 4 4 0 -13.6008330039321 4281981 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4 1 4.847 4 3 0 -13.4620862975229 4281976 CNC1=CC=CC=C1NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3 1 2.847 3 3 -12.2733003559906 4281974 COC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3 1 2.894 2 5 0 -11.9413762163117 4281832 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=O)C(NC4=O)(CC5=CC=CC=C5)CC6=CC=CC=C6 1 4.865 3 3 -7.40126716508829 4281830 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NCCC3=CCCCC3 1 4.599 2 5 0 -21.7905848042357 4281811 CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3 1 2.033 2 4 -19.9532108130684 4281751 CCNC(=S)N1CCN2C=CC=C2C1C3=CC=C(C=C3)F 1 4.246 3 0 -14.3722374370736 4262709 CC1=CC(=CC(=C1)C(=NC2=CC=CC(=C2)C#N)N)C 1 3.52 3 0 -1.07002996085648 4262693 CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)NC5=NCCCCC5)C 1 5.545 5 4 0 -29.6305448769082 4262572 CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-] 1 4.611 5 5 0 -24.4769027882943 4262522 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N(C)CCO)[N+](=O)[O-] 1 2.221 4 4 0 -4.90518971803647 4262516 CN1C=CN=C1SCC(=O)NC2=NC3=C(S2)C=C(C(=C3F)F)F 1 2.885 4 1 -7.20234841890007 4262514 C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=C(C=CC=N3)C(=O)O 1 3.554 1 3 -5.22679996723872 4262430 CC1=CC=C(C=C1)OC2=C(C=CC=N2)C=NOCC3=CC(=C(C=C3)Cl)Cl 1 6.043 2 2 5.55131653018279 4262429 CC1=CC=C(C=C1)OC2=C(C=CC=N2)C=NOCC3=C(C=C(C=C3)Cl)Cl 1 6.043 2 2 6.72685586511142 4262428 CC1=CC=C(C=C1)OC2=C(C=CC=N2)C=NO 1 3.091 2 2 6.07058713590313 4262426 CC1=CC(=NC(=N1)N2CCOCC2)NN=CC3=C(C=CC(=C3)OC)OC 1 1.572 5 3 0 3.69406398157895e-002 4262418 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-] 1 2.417 4 7 0 -14.5248467047835 4262401 CC(=NC1=CC=C(C=C1)[N+](=O)[O-])N 1 0.899 3 2 0 -0.677389667269747 4262324 CCOC(=O)C1=CC=CC(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC 1 3.134 3 4 0 -11.4033224969106 4262307 C1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=N)N(C=N4)CCCO 1 2.346 3 3 0.429144711023268 4262227 CC1=CC=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43 1 2.501 4 3 0 -7.9981268572592 4262201 CN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC(=CC=C3)Cl)Cl 1 5.675 2 0 5.43446402798587 4262169 COC1=C(C=C(C=C1)CC2=NNC(=NC2=O)NN=CC3=CC=C(C=C3)Br)OC 1 3.406 5 3 0 -17.2962791964618 4262136 C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3NC2=O)N=[N+]=[N-] 1 3.182 5 1 -8.28992261699537 4262078 COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)NC3=CC=C(C=C3)F)[N+](=O)[O-] 1 2.418 3 5 0 -6.61716659950025 4262053 COC1=CC2=C(C=C1)NC=C2C(CN3CCC(CC3)C(=O)N)O 1 1.144 3 3 0 1.19873278686396 4262031 CC1C(=O)NC2=CC=CC=C2N1C(=O)C3CC3 1 1.204 2 2 0 -16.3719655817908 4262030 C1=CC=NC(=C1)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C3=NC=NN3 1 3.207 5 0 -0.122922537942048 4261990 CC(C)C(C(=O)OCC(=O)N1CC(=O)NC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)F 1 1.926 3 5 0 -26.7461964218811 4261951 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)CC23CCC(C2(C)C)CC3=O 1 1.898 2 5 0 -0.840593790512593 4261928 COC1=C(C=C(C=C1)S(=O)(=O)NCCN2CCOCC2)[N+](=O)[O-] 1 0.445 3 6 0 -11.6233628376639 4281658 C1CC(OC1)CNC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3 1 0.95 2 5 0 -25.3839847702198 4261887 CC(C(=O)O)N(C1=CC=C(C=C1)F)C(=O)C2=CC=CC=C2 1 2.991 1 3 -6.08297358641138 4261884 C1=CC=C(C=C1)C2=C(N(N=C2)C3=CC(=CC=C3)[N+](=O)[O-])N 1 2.847 4 2 -1.08884375561068 4261869 COC1=CC=CC=C1C(=O)NNC2=NC(=O)CC(S2)C(=O)NC3=CC=CC=C3 1 2.142 4 4 0 -11.2371320650026 4261850 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 2.676 4 5 0 -2.5465471089625 4281589 CCOC(=O)C1CCCN(C1)C(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl 1 4.671 2 3 -12.1016462399577 4281583 CC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)N3CCOCC3 1 2.085 3 2 -26.9626419070073 4281552 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)NC(=S)NC(=O)C3=CC=CO3 1 1.724 3 6 0 -18.9064590466743 4281525 COC1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2NS(=O)(=O)C 1 1.598 3 4 0 -8.77424883936412 4261837 COC(=O)C1C2C=CC(C1C(=O)OCC(=O)C3=CC=CC=C3)C4C2C4 1 2.176 0 5 -10.6829509700139 4261789 CCOC(=O)C1CCCN(C1)CC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C 1 4.425 1 4 -7.70202397561682 4261752 C1=CC=C(C=C1)C(C(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])O 1 3.165 3 5 0 -6.52260892298832 4261751 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NNC3=NC4=CC=CC=C4S3 1 2.328 4 3 0 -2.20839770777902 4281383 CC1=CSC(=N1)SCC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.854 2 1 -15.8038178952756 4261644 CC1=CC(=C(C=C1)NC(=O)C2=C(C(=NN2C)C(C)(C)C)[N+](=O)[O-])C 1 4.251 4 3 0 -5.34987854454874 4261639 CC(C1=CC=CC=C1)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 1.921 3 4 0 -18.7037810746178 4261636 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3=CC=CO3)C(=O)CC 1 2.564 2 5 0 -8.62855551144238 4281310 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(S3)NC(=O)C4=CC=CC=C4 1 3.545 4 2 -23.6575633499699 4261520 CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC3=CC=CC=C32)O)C)C 1 2.286 2 4 -11.3516568926876 4261518 C1CCC(=CC1)CCNC(=O)CSC2=NN=C(N2N)C(F)(F)F 1 2.521 5 1 -20.1483437157322 4261511 CC1=CC(=CC=C1)OC(C)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(=O)C 1 3.351 1 5 -13.7182824808496 4261504 C1=CC=C(C(=C1)C(=O)NC2=CC=CN(C2=O)CC3=C(C=CC=C3Cl)Cl)Cl 1 3.947 2 2 -11.1236047605534 4261503 CCOC(=O)C(CC1=C(C=C(C=C1)Cl)Cl)C2=CC=NO2 1 4.094 1 3 -3.51503569393177 4261463 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NC(=O)C=C(N3)N 1 0.162 5 5 0 -31.8069555141573 4281215 CC1=CC=C(C=C1)CNC(=O)CSCC2=CC(=CC=C2)F 1 3.713 1 1 -11.7059490425319 4281207 C1=CC=C(C=C1)CNC(=O)CSCC2=CC=CC=C2F 1 3.227 1 1 -14.6729527677922 4281203 CC1=CC=C(C=C1)CNC(=O)CSCC2=CC=CC=C2F 1 3.713 1 1 -13.6897248660002 4281184 C1C(C1C(=O)NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 1 2.908 3 3 -3.86633662732853 4261343 C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=NC=C3)[N+](=O)[O-] 1 2.908 4 3 0 -5.54639923072791 4261341 CN1C(CC(O1)COC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3 1 2.774 1 4 -3.12432641543982 4261263 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC4=C3N=CC=C4 1 1.999 3 4 0 -24.5641612575951 4261249 C1CC(=NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)CC(=O)C1 1 2.643 3 4 0 -8.95220007818995 4261202 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=NNC3=CC=C(C=C3)C(=O)O 1 4.699 2 5 0 -9.75434114495048 4261147 CC1CN(CC(O1)C)C(=S)SCC(=O)C2=CC=C(C=C2)Cl 1 4.567 1 2 -7.70906532918698 4261069 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)SC(F)F 1 4.296 2 6 0 -15.7621970903465 4260831 CSCCC(C(=O)OCC1=C(C=CC=C1Cl)Cl)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 4.836 1 4 -18.0315762159366 4260815 CC1=C(C=C(C=C1)NC(=O)CC2C(=O)OCC3N2CCCC3)Cl 1 2.962 2 3 -12.229525926439 4260780 CC1=CC=C(C=C1)OCCSC2=NN=C(C(=O)N2N)C 1 2.178 4 2 -8.35920843649697 4260776 CC1=CC=CC=C1NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O 1 4.006 2 3 -15.3495575678897 4260746 CC1=NC(=C(C=C1)OCCOC2=CC(=CC=C2)Br)[N+](=O)[O-] 1 3.759 2 4 -1.64469798572078 4260722 C1C(OC2=CC3=CC=CC=C3C=C2O1)C(=O)NN 1 1.021 2 3 0 -1.03265682992502 4260705 C1=CC=C(C=C1)C(CC(=O)OCC(=O)NC2=CC(=CC=C2)F)NC(=O)C3=CC=CC=C3Cl 1 4.111 2 4 -12.6875172850987 4260640 CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)SC4=NN=C(S4)NCC5=CC=CC=C5 1 4.406 4 3 0 -13.3087717000058 4260608 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=O)NN=C(C)C3=CC=C(S3)Cl 1 1.435 5 3 0 -15.291893467982 4260586 CC1CN(CC(O1)C)C(=O)COC2=C(C=C(C=C2)C=NNC(=S)NC3=C(C(=CC=C3)Cl)C)OC 1 4.912 4 4 0 -18.4864683502056 4260558 C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C4=CC=CC=C4O 1 3.485 3 1 9.08839226997436 4260554 CN(C)C(CNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2)C3=CC=CC=C3 1 3.943 3 3 -19.6508380411482 4260531 CC1=CC(=C(C(=C1)C)C2C(=C(NC(=S)N2)C)C(=O)N3CCOCC3)C 1 3.058 3 2 -24.3688964972804 4260484 CCCSC1=NN=C(S1)NC(=O)C2=CC=CO2 1 2.439 3 2 -14.9787869841016 4260390 C1=CC=C(C(=C1)C2=NN=C(O2)NC(=O)C3=NC4=CC=CC=C4S3)Cl 1 3.61 4 2 -1.18334992270211 4260346 C1CCN(CC1)C(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.39 2 3 -12.1344255937272 4260281 CC(C1=NC2=CC=CC=C2N1C)(C(C3=CC=CC=C3)O)O 1 2.66 2 2 0.547617770440324 4260104 CCN(CC)C(=O)C1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.353 6 6 0 -14.1036207105744 4260044 CCNC(=S)NC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2OC 1 3.818 3 3 -14.4673476422988 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-11.0335542552593 4255778 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=C2C)C(=O)NC3CCCC4=CC=CC=C34 1 4.533 2 4 -9.09888732565534 4255750 CC(CS(=O)(=O)CC1=CC=CC=C1)(C2=CC=CC=C2)O 1 2.64 0 3 -5.08528213992821 4255675 CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CN=CC=C2 1 0.878 5 4 0 -10.6322180960687 4255596 CN(C)C1=CC=C(C=C1)C=NNC2=NC(=O)C(=NN2)CC3=CC(=C(C=C3)OC)OC 1 2.82 6 3 0 -20.3229045205598 4255573 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=C2C)C(=O)NCCCN3CCOCC3 1 1.822 3 5 0 -11.2263416937748 4255564 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3CCCO3 1 2.09 2 4 -18.264613355532 4255524 C1=CN(C=C1)C2=NC=CC(=N2)C3=C(C=CS3)Cl 1 4.013 3 0 -1.52652926398957 4255490 CC1=CC=C(O1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O 1 2.259 3 4 0 -10.123143598988 4255480 C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC(=CC=C3)Cl)C(=O)NCC4=CN=CC=C4 1 4.979 3 1 -7.97467498970436 4255439 CCC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Cl 1 7.451 2 2 -8.51263340095691 4255437 CC1=CC(=C(C=C1)C)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Cl 1 7.481 2 2 -8.76526465677354 4255308 C1=CC=C(C(=C1)CNCC(COC2=CC=C(C=C2)F)O)Cl 1 3.359 1 2 0.800386058713605 4255303 CCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3 1 2.531 3 4 0 -14.8637190595878 4255225 CC(CNC1=NC2=CC=CC=C2N1CC(=O)NCC(F)(F)F)O 1 1.334 4 2 0 -15.5054559517769 4255223 CC(C)OC1=C(C=C(C=C1)C(CC(=O)O)N2C=NN=N2)OC 1 1.175 4 4 0 -16.234637001953 4255192 CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)CC3=CC=CC=C3 1 3.026 3 4 0 -22.3833950280225 4255123 CNC(=S)NNC1=CC=CC=C1[N+](=O)[O-] 1 2.079 4 2 -7.54100006321985 4255069 CCCNC(=O)C(=O)NN=CC1=CC=C(C=C1)OCC2=CC=CC=C2 1 2.812 3 3 -12.593313256703 4254980 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br)F 1 2.699 1 6 0 -24.1342970144379 4254878 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-] 1 2.465 3 6 0 -5.76997383101606 4254856 CCCC(=O)OC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 5.106 1 3 -14.4941759958038 4254794 CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 1 4.336 1 3 -8.64175634116151 4254784 CC1=C(C(=C(C(=N1)NCC2=CC(=C(C(=C2)OC)OC)OC)C#N)COC)[N+](=O)[O-] 1 1.949 4 6 0 -9.48172103990973 4254738 C1=CC=C(C=C1)NC(=S)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O 1 2.968 3 4 0 -9.67889623764241 4254655 COC1=CC=CC(=C1)NCC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4 1 4.512 1 4 2.21153088936288 4254612 CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 4.505 1 2 -4.41794744543828 4254577 CC1=C(N(C(=C1C#N)NC(=O)NC2=CC=C(C=C2)F)CC3=CC=C(C=C3)OC)C 1 4.23 4 2 -7.97314882213494 4254576 C1=CC=C(C=C1)C=NNC2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F 1 4.895 4 0 1.63584001746436 4254555 CC1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br 1 2.791 2 3 -12.6826096210238 4254531 COC1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=N)N(C=N4)CCCO 1 2.329 3 4 0 0.468532186139361 4254447 C1CCC2=C(C1)C=C3C(=CC(=O)OC3=C2)CN4CCN(CC4)C5=CC=C(C=C5)F 1 5.281 2 2 -1.2816990138464 4254389 CC1=CC=C(C=C1)NC(=O)OC(C)C2=CC3=C(O2)C(=CC=C3)OC 1 4.512 1 4 -8.47647394488849e-002 4254388 C1C2=CC=CC=C2C(=O)N1C(CC3=CC=C(C=C3)O)C(=O)NN 1 1.157 3 3 0 -4.49096191886527 4254353 CN(C=NC(=S)NC1=C(C=C(C=C1)Cl)Cl)O 1 3.625 3 1 0.142391436068341 4254347 C1=CC=C2C(=C1)C(=O)N=C(N2)CC3=CC(=CC=C3)C(F)(F)F 1 3.47 2 1 -1.95375309194813 4254277 CC1CN(CC(O1)C)C(=O)COC2=C(C=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)Cl)OC 1 3.023 3 5 0 -17.6721045364982 4254156 CC(=NNC(=O)C1=C(C=C(C=C1)Cl)Cl)CC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.579 3 4 0 -12.3537441803688 4254096 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)NC(=O)C 1 1.269 3 4 0 -16.2914262457678 4254071 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC(=CC=C2)O 1 2.042 1 5 -0.363475430433827 4254025 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC 1 3.079 4 6 0 -12.5228654164286 4254013 COCCN(CCOC)C(=O)N1CCOCC1 1 -0.793 2 4 0 -11.7082302681778 4253999 CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C 1 1.932 3 6 0 -26.9654212645536 4253856 CC1=CC=C(C=C1)SC(CC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)O 1 5.379 0 3 -1.15133589966071 4253812 CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4 1 5.115 2 5 0 -11.0939354439349 4253789 COC(=O)C1CCCN1C(=O)COC2=C(C=C(C=C2)Cl)Br 1 2.795 1 4 -5.11453787665626 4253779 CN(C1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C(=C2)OC)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.327 3 6 0 -15.5918868383571 4253765 CCCC1=NC2=CC=CC=C2C(=O)N1CC(=O)C3=CC=C(C=C3)F 1 3.619 2 2 -6.77042084750071 4253662 CC(=NNC1=NCCN1)C2=CC(=C(C=C2)N)[N+](=O)[O-] 1 0.222 6 2 0 -7.64529298203314 4253516 CCS(=O)(=O)N1C(CC(=N1)C2=CC=CS2)C3=C(N=C4C=CC(=CC4=C3)C)Cl 1 4.39 3 2 -4.49671071733064 4253388 CCC1=NC2=CC3=C(C=C2S1)N=C(S3)CC 1 3.852 2 0 -1.55795404471257 4253422 C1=COC(=C1)CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 2.177 1 4 -18.9707233778546 4253421 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SC(=C3N)C(=O)NCCC4=CCCCC4 1 3.806 3 3 -23.0908495819042 4253419 CC1=C(C=C(C=C1)N2C(=O)C3=C(N(C2=O)CC4=CC(=O)N5C=CC=CC5=N4)SC(=C3C)C)C 1 3.688 4 3 0 -15.3679546679382 4253387 CC1=NC2=CC3=C(C=C2S1)N=C(S3)C 1 2.519 2 0 -0.701827010335059 4253314 COC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32)OC 1 1.72 4 5 0 -17.7254325337821 4253313 CC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NON=C32)Cl 1 2.346 4 4 0 -11.528747975605 4253233 CC1=C(C=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=CO3)C 1 2.823 3 3 -3.17664781433262 4253232 C1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CO4 1 1.01 4 5 0 -11.1395156722939 4253152 CC1=CC(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NON=C32 1 1.681 4 4 0 -10.496725410364 4253151 CC1=CC(=C(C=C1)OC)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NON=C32 1 1.665 4 5 0 -14.3568405097007 4253149 CCOC1=CC=CC=C1NC(=O)CCNS(=O)(=O)C2=CC=CC3=NON=C32 1 1.527 4 5 0 -16.3829635524738 4253148 COC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NON=C32)Cl 1 1.843 4 5 0 -12.79541868693 4253147 COC1=C(C=C(C=C1)Cl)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NON=C32 1 1.843 4 5 0 -12.3417932174645 4253088 CC1=CC(=C(C=C1)C)N=C2C(=CC3=C(O2)C(=CC=C3)OC)C(=O)NC4=NC=CS4 1 4.435 3 3 -5.66062062115083 4253087 CC1=CC(=C(C=C1)N=C2C(=CC3=C(O2)C(=CC=C3)OC)C(=O)NC4=NC=CS4)C 1 4.435 3 3 -5.64803376581127 4253086 CC1=C(C(=CC=C1)N=C2C(=CC3=C(O2)C(=CC=C3)OC)C(=O)NC4=NC=CS4)C 1 4.435 3 3 -5.30139836705488 4253052 CCN1C=NC2=C1C=CC(=C2)NCC3=CC=C(C=C3)N(CC)CC 1 4.152 4 0 -7.18918979493019 4253008 CC(CC1=CC=CO1)NC(=O)C2=CC=C(C=C2)C(F)(F)F 1 3.371 1 2 -5.61658390939818 4252991 CCOC1=CC=C(C=C1)NC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC 1 4.473 2 4 -6.88386485838453 4252975 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC=C4OC 1 3.514 3 4 0 -9.84994673984989 4252959 CC(=NNC(=O)CCC1=CNC2=CC=CC=C21)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.342 4 3 0 -14.0056331457591 4252885 CC(=NNC(=O)CNC(=O)C1=CC=CS1)C2=CC=C(C=C2)Cl 1 2.341 3 2 -13.245486767294 4252811 C1=CSC(=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)Br)F 1 3.803 2 3 -12.8755838269775 4252743 C1=CC=C(C=C1)C2=NN=NN2C3=CC=C(C=C3)[N+](=O)[O-] 1 2.536 5 2 0 -6.46802305416186 4252653 CC(=O)NC1=NN(C(S1)(C)C2=CC=C(S2)Cl)C(=O)C 1 1.948 3 2 0 -6.93648858403266 4252651 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC(=O)C4=CC=CC=C4 1 5.25 3 4 0 -22.199360960643 4252639 CCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC(C)C3=CC=CC=C3 1 2.445 2 3 -4.23315068483445 4252621 CC(C(=O)NC1=NN=C(S1)C2=CC=CC=C2OC)SC3=NCCS3 1 3.363 4 2 -14.8909092507375 4252617 C1CN(C(C2=CC=CN21)C3=CN=CC=C3)C(=S)NC4=CC(=CC=C4)Br 1 5.144 4 0 -12.6482605189879 4252590 COCCCNC(=O)COC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=CC=N3 1 1.871 4 3 0 -8.05687795143525 4252562 COC1=C(C(=C(C=C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)OC 1 2.834 4 8 0 -6.55810597195309 4252521 CC(=NNC(=O)CNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC 1 3.22 3 4 0 -21.7672884668165 4252488 CC12CCCC3=CC4=CC(=CC(=C4OC31N(C5=CC=CC=C25)C)[N+](=O)[O-])[N+](=O)[O-] 1 5.011 3 5 0 -6.24511319368633 4252441 CCOC(=O)CN1C(=O)N(C(=N1)C)C2=C(C=CC=C2C)C 1 2.226 3 3 -9.57870102170129 4252440 CC1=CC(=NN1C(=O)C(=NNC2=CC=CC=C2[N+](=O)[O-])C#N)C 1 2.346 6 3 0 -8.08159586356775 4252437 CC1=NN(C(=O)N1N(C)C2=C(C=C(C=N2)C(F)(F)F)Cl)CC#N 1 2.152 6 1 0 -3.23771704590083 4252420 CC(=NNC(=O)CN1CCN(CC1)CC2=CC=CC=C2Cl)C3=CN=CC=C3 1 2.06 5 1 -4.95567441932646 4252358 CN1C(=NNC1=O)C2=CC(=CC=C2)Br 1 1.828 3 1 0 -1.21966432444104 4252357 CCC(=O)C1=C(C(CCC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)O 1 3.887 0 4 -0.874027766963597 4252326 CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=NN(C=C3Br)C 1 4.13 5 1 -6.30601223388224 4252324 C1=C(C=C(C=C1[N+](=O)[O-])SCC(CO)O)NC(=O)CCl 1 0.869 2 5 0 -9.87847033681779 4252311 COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N3CCCCCC3)CC4=CC(=O)NC(=O)N4 1 2.03 6 4 0 -24.7405278478545 4252310 COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)CC4=CC(=O)NC(=O)N4 1 1.574 6 4 0 -24.7405278478545 4252281 C1=CC=C2C(=C1)N=C(S2)C(=O)NC3=NN=C(O3)C4=CC=C(C=C4)Cl 1 3.61 4 2 1.93739429650005 4252228 C1=CC=C(C=C1)C(=O)NNC2=CC(=C(C(=C2)Br)O)Br 1 3.891 2 2 1.08630720501634 4252186 CCC(C(=O)NNC(=O)CCC(=O)O)OC1=C(C=CC(=C1)Cl)Cl 1 2.224 2 5 0 -14.533720789597 4252030 CC1=CC2=C(N1C)C=CC(=C2)CNC(=S)NC3=CC=CC=C3OC 1 4.724 3 1 -10.4403986158396 4252016 CC(=O)N1C(OC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=C(C=C(C=C3)Cl)Cl 1 4.146 3 4 0 -4.64256650004203 4251983 CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNS(=O)(=O)C3=CC=C(C=C3)F)C 1 3.206 2 3 -7.14859626021171 4251978 CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2=CC=C(C=C2)Cl 1 5.557 0 3 0.670662790926108 4251944 C1CC1C(=O)NC2=NN=C(O2)C3=CC=CS3 1 1.502 3 2 0 -7.57616434950523 4251870 CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C(=O)NN=C3CCCC3)Cl 1 4.669 2 2 -7.21018070806851 4251869 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2)C3=CC=CO3 1 1.637 3 4 0 -19.3446978912522 4251773 CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C)(C)N=CC3=CC=C(C=C3)Cl 1 4.946 5 0 -2.59674912035063 4251709 CCOC1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCC4=CC=CC=C4)O 1 3.31 3 4 0 -9.01810926935059 4251624 C1CC1NC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 1.315 1 3 0 -8.97857765491896 4251532 CC1=C(C=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCCCOC(C)C)O)C 1 3.024 3 4 0 -12.2882848420663 4251497 C1COCCN1CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 1.732 5 5 0 -31.2359066787207 4251426 CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)NC(C)C 1 1.85 2 2 0 -17.5110308059382 4251425 CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)NCCN(C)C 1 1.262 3 2 0 -13.0441162191321 4251401 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)NC4=CC=C(C=C4)F)C 1 4.574 2 4 -9.82852900714992 4251323 C1CCCC(CCC1)N2CC(CC2=O)C(=O)NCC3=CC=C(C=C3)F 1 3.292 2 2 -15.1065544955622 4251315 COC1=CC=CC(=C1)CNC(=O)C2CC(=O)N(C2)C3CCCCC3 1 2.158 2 3 -16.2401588717771 4251180 C1=CC=C(C=C1)N2C(=NNC2=S)CNC(=O)COC3=CC=CC=C3 1 2.573 4 2 -13.6674583874983 4251108 CCC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4C)SC2=S 1 6.902 3 3 -16.0563824230772 4251023 CCC(C)NC(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CC4=CC=CO4)OCO3 1 3.079 3 5 0 -25.204775598519 4251071 CCOC(=O)NN=C1CC(CC(C1)(C)C)C 1 2.445 2 2 -11.0512815116349 4250974 CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(=CC3)C4=CC=CC=C4)NC1=S 1 4.478 4 2 -11.3041818252894 4250931 CC(C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)N2C(=O)C3=CC=CC=C3C2=O 1 0.807 3 7 0 -21.4554967444503 4250928 CC1=C(C=CC2=C1N=C(S2)NC(=O)C3=CC=CO3)Cl 1 3.786 2 2 -1.95306601455981 4250925 CC1CC(CN(C1)C(=O)CSC2=NN=C(O2)C3=CC(=C(C=C3)C)C)C 1 4.006 3 2 -12.3441914728687 4250909 CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.373 2 2 0.456891524761665 4250647 CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4C(CC(=N4)C(F)F)(C(F)F)O 1 4.956 3 2 -1.77732751010225 4250643 CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4C=NC=N4 1 2.973 7 4 0 -33.3408310989722 4250479 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4 1 3.957 3 4 0 -16.8049416075969 4250427 C1CN(C(OC1)CNC(=O)C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 0.208 3 6 0 -21.5084897218443 4250426 C1CCC(=CC1)CCNC(=O)C(=O)NCC2N(CCCO2)S(=O)(=O)C3=CC=CC=C3 1 1.77 3 5 0 -23.1970551566601 4250425 C1CN(C(OC1)CNC(=O)C(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3 1 0.766 3 5 0 -22.2032548894789 4250307 C1=CC=C(C(=C1)C=NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])OCC(=O)O 1 3.96 4 7 0 -6.51278041541188 4250273 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COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC5=C(S4)C=C(C=C5)OC 1 4.139 4 4 0 -6.23760875816131 4249471 CC1=C(C=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O)C 1 3.235 1 4 -13.3340371577322 4249375 CC(C)CN1C(=NNC1=S)C2=NN(C=C2Cl)C 1 3.036 5 0 -3.00090519789492 4249305 C1CCC2=NN=C(N2CC1)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)Cl 1 4.811 5 1 -11.5240996661965 4249297 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NN3CCN(CC3)C 1 0.269 4 4 0 -19.9363062959609 4249251 CC(C1=CC2=C(C=C1Cl)OCCO2)NC(=O)CCC3=CC=CC=C3 1 3.94 1 3 -13.7572585231057 4249116 C1=CC=C(C=C1)N2C=C(C=N2)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1 3.258 5 6 0 4.39059326053674 4248985 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=CC=C3N4CCOCC4 1 0.386 6 4 0 -22.2838676503364 4248965 C1C(=O)N(C(S1)C2=CC=CC=N2)C3=CC4=CC=CC=C4C=C3 1 3.431 2 1 -8.87143098650096 4248964 CC1=CC(=CC(=C1)N2C(SCC2=O)C3=CC=CC=N3)C 1 3.495 2 1 -10.0322938079347 4248935 CCC1CCCCN1C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)OC)OC 1 1.775 5 5 0 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4248572 C1=CC=C(C(=C1)C2C(=C(OC3=C2C(=O)OC4=CC=CC=C43)N)C#N)OC(=O)C5=CC=CS5 1 3.981 2 5 0 -17.9678771638651 4248377 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=CC(=C4)C(F)(F)F 1 3.714 5 3 0 -20.4479457902937 4248368 C1=CC=C(C=C1)C(=O)NNC2=NC3=C(C=C(C=C3S2)F)F 1 3.036 3 1 -1.96813248007224e-002 4248268 CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C 1 1.553 5 3 0 -19.2336114226693 4248252 CC1=CC(=CC(=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CO3)O)C 1 2.69 2 4 -6.60739537235758 4248226 CC(C)CCNC(=O)C1C2C=CC3(C1C(=O)N(C3)CC4=CC=CC=C4Cl)O2 1 2.36 2 3 -8.48276832796489 4248182 C1CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC=C(C=C4)F)C(=O)C1 1 1.495 6 1 0 -21.0148137122757 4248181 C1=CSC(=C1)C2=CC(=NC(=N2)N3C=C(C=N3)Cl)C(F)(F)F 1 4.734 4 0 4.53378581220567 4248177 CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4 1 3.778 3 3 -18.4056112405116 4248095 CC1CCCCN1CC(COCC2=CC=C(C=C2)Cl)O 1 3.221 1 2 -3.8892975076473 4248091 COC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2C3CCCCC3)CCC4=CC=CC=C4 1 3.996 2 3 -7.2050609135593 4248079 CC1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)N3CCCC4=CC=CC=C43)C 1 4.517 4 2 -23.3839651659282 4248069 CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3CCCCCC3 1 2.743 3 2 -13.5976726004074 4247964 COP(=O)(CN(CC1=C(C=C(C=C1F)F)F)C(=S)NC2=CC=CC=C2Cl)OC 1 5.208 2 3 -6.42409290074511 4247911 C1=CC=C(C=C1)C2C(C(=O)NN2)NC(=O)C3=CC=CC=C3 1 1.172 3 2 0 -6.57967752485259 4247905 CC1=CC=C(C=C1)C2=CC(=NC(=N2)S(=O)(=O)C)C(F)F 1 3.413 2 2 -1.04432950131318 4247900 C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)F)C3=CC(=CC=C3)F 1 4.314 1 1 -11.8318346621722 4247898 CC1=CC=C(C=C1)N2C(SCC2=O)C3=C(C=CC=C3Cl)F 1 4.595 1 1 -12.3606348260395 4247775 CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=O)C3=CC4=CC=CC=C4O3 1 3.892 2 3 -7.52121989880598 4247773 C1CCCC(CC1)NC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC=CS4 1 3.83 2 2 -12.181346491956 4247764 C1CC(OC1)CNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S 1 3.79 3 3 -18.899813376756 4247716 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C 1 2.99 4 3 0 -17.5362259987994 4247711 C=CN1C=CN=C1P(=S)(C2=CC=CC=C2)C3=NC=CN3C=C 1 3.314 4 0 -3.93779095943366 4247618 CC1C2(CCS1)C(=C(OC3=C2SC4=C3C(=CC(=N4)C)C)N)C#N 1 3.034 3 1 -4.77923945250306 4247523 CN1C=C(C(=N1)C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-] 1 2.919 6 3 0 -5.47310227986975 4247469 CC1=CC(=NC2=C1C(=O)N(S2)CC(=O)NC3=CC=C(C=C3)Cl)C 1 3.039 3 2 -4.56280444572119 4247468 CC1=CC(=NC2=C1C(=O)N(S2)CC(=O)NC3=CC(=CC=C3)F)C 1 2.58 3 2 -4.7336353748992 4247467 CC1=CC(=NC2=C1C(=O)N(S2)CC(=O)NC3=C(C(=CC=C3)Cl)C)C 1 3.525 3 2 -5.31716071550824 4247466 CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C3=C(S2)N=C(C=C3C)C)Cl 1 3.525 3 2 -4.74223003646452 4247465 CC1=CC(=NC2=C1C(=O)N(S2)CC(=O)NC3=CC(=C(C=C3)Br)C)C 1 3.609 3 2 -6.71205805578791 4247321 CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(S2)N=C(C=C3C)C 1 2.707 3 3 -7.56399249716017 4247303 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)OC 1 3.715 2 3 -18.1437697473014 4247300 C1COCCN1CCCN(CC2=CC=CS2)C(=O)NC3=CC=CC=C3 1 2.364 3 2 -5.07116889159743 4247298 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C1=CC=C(C(=C1)C2=C(C(=O)NN2)C(C[N+](=O)[O-])C3=CC=C(C=C3)Br)O 1 2.649 3 4 0 -2.57221651752704 4232677 C1CC2CC1C(C2C(=O)O)C(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 1.858 2 4 0 -6.1085546217685 4232615 CC1=CC(=C(C=C1)OCC(=O)NN=C(C)C2=CC=C(C=C2)N3C=CN=C3)C(C)C 1 3.849 4 2 -5.07987580448216 4232593 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=CO3 1 1.665 4 5 0 -13.2662831991213 4232582 CC1=C(C(C2=C(N1)NC(=O)NC2=O)C3=CC=CC=C3)C(=O)OCC=C 1 1.535 3 4 0 -32.2141082412363 4232580 CCN(CC)C1CCCCC1NS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.672 2 2 -5.57617194027986 4232558 C1=CC=C(C=C1)C2=NN3C(=CC(=O)N=C3S2)C(=O)NCC4=CC=C(C=C4)Cl 1 3.85 4 2 -7.7275510052353 4232472 C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCO 1 2.681 3 2 -11.1291613959164 4232355 CN1CCC2=C(C1)C=C(C(=N2)SCC3=C(C(C(=C(O3)N)C#N)C4=CC=C(C=C4)F)C(=O)OC)C#N 1 3.219 5 3 0 -18.2742103349172 4232262 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NCC3=CC=CC=C3Cl 1 2.288 2 6 0 -30.6823878921642 4232260 CC1=CC(=C(C=C1)OCC(=O)NN=C(C)C2=CC3=CC=CC=C3O2)C(C)C 1 4.774 2 3 1.08834679821568 4232207 CC(C1=CC=CC=N1)N(CCCOC)C(=S)NC2=CC(=CC(=C2)Cl)Cl 1 5.44 3 1 -6.37095058120821 4232205 CC1=C(C=C(C=C1)NC(=O)N(CCCOC)C(C)C2=CC=CC=N2)C 1 3.188 3 2 -4.8886067628674 4232081 CC1=NC=C(N1CCOC(=O)NC(C(Cl)(Cl)Cl)NC2=CC=C(C=C2)F)[N+](=O)[O-] 1 3.498 5 4 0 -21.1423049784017 4231916 CCC(CC)C(=O)N1CC(=O)NC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)F 1 4.034 2 2 -17.5771922020552 4231843 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C=C3)OC)OC)CC4=CC=CO4)O 1 2.659 1 7 0 -18.7626053553075 4231825 CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NCC1=CC=CC=C1Cl 1 4.409 2 2 -7.70668339004286 4231824 CC(C)(C)NC(=O)C(=O)NNC(=O)COC1=CC=C(C=C1)Br 1 1.076 3 4 0 -14.3045506308901 4231648 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)NN=CC4=CC5=C(C=C4)OCO5 1 2.887 7 3 0 -5.42904931807281 4231610 CC1=C(N2C(C(C2=O)NC(=O)C3=NN(C=C3)C)SC1)C(=O)O 1 0.209 4 4 0 -11.9226045687647 4231566 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C 1 3.414 2 6 0 -22.310963597353 4231448 CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N 1 1.064 6 2 0 0.267969625630127 4231415 CC1CCCC(N1C(=O)C2=NOC(=C2)C)C 1 1.944 2 2 0 -13.6660071759964 4231396 CCC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)F 1 2.454 2 2 -17.8363318333915 4231395 COCCN1C(=O)C2=CC=CC=C2C3=CC=CC=C3C1=O 1 2.249 1 3 -4.94528398041119 4231312 C1C(=O)N(C(S1)C2=CC(=CC=C2)F)C3=CC=C(C=C3)O 1 3.202 1 2 -7.93180566102397 4231304 C1C(=O)N(C(S1)C2=CC=CC=C2[N+](=O)[O-])C3=CC(=CC=C3)F 1 3.339 2 3 -11.6003507370286 4231303 C1C(=O)N(C(S1)C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)O 1 2.891 2 4 -11.0991277537994 4231295 CCOC1=C(C=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)Br)OCC(=O)O 1 4.777 2 5 0 -18.5578360237108 4231240 CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NC3CC3 1 1.941 2 3 0 7.51490548555069 4231220 COCCNC(=O)CN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=C3 1 1.435 3 3 0 -9.93644872479745 4231219 CCCCNC(=O)CN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=C3 1 2.895 3 2 -9.22102242142773 4231181 CCC(C)SC1=NN=C(N1C)CSC2=NC(=CC(=N2)C)C 1 3.359 5 0 -13.3062141744937 4231128 CC(C)(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3 1 1.492 3 4 0 -24.7492817405522 4231075 CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NC3CCCCCC3 1 3.766 2 3 7.67404315154977 4230997 CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5 1 4.565 4 4 0 -8.46257523833902 4231036 CC1=CC=C(C=C1)C2C(C(=O)N2CC3=CC=CC=C3)OC(=O)C 1 2.922 1 3 -3.84499978287011 4231034 CC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)OC)OC(=O)C 1 2.899 1 4 -6.09408226599345 4231033 CC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)OC)O 1 2.52 1 3 -1.5816961968372 4231007 C1=CC(=C(C=C1Cl)Cl)NC(=O)NC2=NC=CN=C2 1 2.089 4 1 -2.67338631086228 4230971 CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C3=NC(C(=O)N31)CCC(=O)NCC4=CC=CO4 1 2.806 5 4 0 -37.3133850316237 4230969 CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CCO 1 -0.198 6 4 0 -14.4745297674923 4230964 CC1=CC=C(C=C1)C2CC(=NN2S(=O)(=O)C)C3=CC(=CC=C3)NS(=O)(=O)C 1 1.939 3 4 0 -2.12397139708887 4230873 CC1=CC2=CC=CC=C2N1CCNC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C 1 4.542 3 2 -15.3436217407379 4230805 CC1=CC(=CC=C1)OCC(=O)NC(C)C(=O)NN=CC2=C(C=CC3=CC=CC=C32)OCC4=CC=CC=C4 1 5.024 3 4 0 -6.06973276956849 4230785 C1=CC=C(C=C1)S(=O)(=O)NCCN2C=CC3=CC=CC=C32 1 2.889 2 2 -10.4614477426938 4230751 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)S(=O)(=O)NC4=C(C=CC(=C4)Cl)Cl 1 3.13 4 4 0 -7.7519505264722 4230741 CC1=CC=C(C=C1)N(C(C2=CC=C(C=C2)OC)C(=O)NC3CCCCC3)C(=O)CCl 1 4.795 2 3 -11.078854044026 4230575 CCCCC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC 1 3.01 2 3 -10.1450793418425 4230544 CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)OC)NC(=O)COC3=CC=C(C=C3)Cl)C 1 3.825 2 4 -19.9927968839057 4230513 CC(C)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4 1 1.635 6 4 0 -17.094779496882 4230491 C1C2CC(C1C=C2)C(=O)OCC(=O)NC3=CC=CC=C3F 1 2.22 1 3 -4.43551404197573 4230488 CC(C(C)(C)C)NC(=S)NC1=CC=CC=C1OC(F)F 1 5.16 2 1 -10.0721245783923 4230442 CN(C1=CC=CC=C1)C(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.05 2 3 -9.8577108853994 4230333 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCC2=CC=C(C=C2)OC 1 4.386 0 4 -6.1720304901562 4230313 C1CC1C(=O)N2CCN=C2SCC3=CC(=CC=C3)F 1 3.191 2 1 -12.6141722038185 4230296 CC1=NN2C(=C(SC2=N1)C(C3=CC=CO3)N4CCN(CC4)C5=CC=C(C=C5)F)O 1 3.71 5 2 0 -0.468694860680831 4230279 C1=CC(=C(C=C1C(=O)CSC2=NC3=C(C(=O)N2CCCCCC(=O)O)SC=C3)O)O 1 3.925 2 6 0 -20.0869458623511 4230269 CC(C(=O)NN=CC1=CC=CC=C1OCC2=CC=C(C=C2)Br)NC3=CC=C(C=C3)OC 1 5.127 3 3 -6.11098212475329 4230263 CCOC1=CC=C(C=C1)NC(C)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 3.054 4 4 0 -10.8453844580024 4230241 CCOC(=O)CC1=CN=C(S1)NC(=O)CSC2=NC(=O)C=C(N2)N 1 0.398 5 4 0 -21.0292319362634 4230131 CC1=CC=CC(=C1)C(=O)NN2C(=O)C3C(C=CC(C3C2=O)C4=CC=CC=C4)C5=CC=CC=C5 1 4.322 2 3 -3.19124607101453 4230117 CCOC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 2.815 3 3 -8.78644140220531 4230097 C1=CC2=NC(=CC(=O)N2C=C1Cl)CSC3=NC4=C(C(=O)N3CCCCCC(=O)O)SC=C4 1 3.266 4 4 0 -33.8455572311823 4230056 CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)C#N)C 1 2.678 2 1 -10.5805632072484 4230055 C1=CC=C(C=C1)NC(=S)NNC2=CC=C(C=C2)[N+](=O)[O-] 1 3.934 4 2 -4.13164679979786 4230052 CCN1C=C(C(=N1)C(=O)N2C(CC(=N2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4O)[N+](=O)[O-] 1 4.824 5 4 0 -4.69317922922649 4230051 CCCCNC(=S)NNC(=O)C1=C(C(=NN1C)C)Cl 1 2.636 5 1 -11.9683244141245 4229988 C1=CC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)N=C1 1 2.388 2 2 3.59736090601831 4229960 COC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.651 2 5 0 -17.0641127140105 4229959 COC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NCCC3=CC=CC=C3 1 2.204 2 3 -16.1593995326534 4229958 COC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NCCC3=CC=C(C=C3)Cl 1 2.869 2 3 -13.8041133618973 4229957 CC1=CC=C(C=C1)CCNC(=O)C2CC(=O)N(C2)CC3=CC=C(C=C3)OC 1 2.691 2 3 -15.6261120524841 4229956 CC1=CC=C(C=C1)CSCC(=O)NCC2=CC=CS2 1 3.248 1 1 -15.6234078255846 4229933 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4=CC=C(C=C4)F 1 2.802 4 4 0 -14.9513152125033 4229931 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4=CC=CC=C4OC 1 2.58 4 5 0 -18.1900564262816 4229930 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=C5F 1 3.054 5 4 0 -9.43162823236329 4229929 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCCCCC4 1 2.593 4 4 0 -14.1064041102845 4229928 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCCC4 1 1.68 4 4 0 -13.7519355961165 4229927 CN(CC1=CC=CC=C1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 2.803 4 4 0 -15.4827663750473 4229926 CCC(C)NC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC 1 2.263 4 4 0 -20.4465097991015 4229924 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=CC(=C(C=C4OC)OC)Cl 1 3.222 4 6 0 -16.9233821622585 4229923 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=CC(=C(C(=C4)OC)OC)OC 1 2.541 4 7 0 -18.037866975312 4229897 C1CCCC(CCC1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 5.219 3 1 -7.21830977336822 4229886 CN1C2=C(C(=O)N(C1=O)C)N3CC(OC3=N2)CO 1 -0.267 4 4 0 -8.9531024956422 4229853 CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.965 2 1 -5.5245644238157 4229849 CC1=CC=C(C=C1)CSCC(=O)NCC2=CN=CC=C2 1 2.357 2 1 -15.4332179373133 4229833 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=NC3=CC=C(C=C3)S(=O)(=O)N)S2)CC=C 1 2.413 4 5 0 -17.8194899594478 4229735 CC1=C(C(=CC=C1)OCC(=O)NC2=NOC(=C2)C)C 1 2.561 2 3 -11.9474603864732 4229681 C1=CC(=CC(=C1)Cl)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)NCC3=CC=CS3 1 3.719 2 3 -10.7292856465038 4229481 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NCCC3=CC=C(C=C3)Cl 1 3.188 2 2 -16.2288075989567 4229452 CN1C=C(C2=CC=CC=C21)SCC(=O)NCC3=CC=C(C=C3)F 1 3.72 2 1 -10.8350924181401 4229415 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=CC=C(C=C3)Cl 1 4.695 1 1 -5.92884922788289 4229379 COC1=CC=CC=C1C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)F 1 3.435 2 3 -20.3549616985119 4229374 COC1=C(C=C(C=C1)C2C(CC(=O)O2)C(=O)NCC3=CC=C(C=C3)F)OC 1 2.542 1 5 -10.7507261073449 4229368 COC1=C(C=C(C=C1)C2C(CC(=O)O2)C(=O)NCC3=CC=C(C=C3)Cl)OC 1 3.001 1 5 -9.64060444222331 4229367 COC1=C(C=C(C=C1)C2C(CC(=O)O2)C(=O)NCC3=CC=CC=C3Cl)OC 1 3.001 1 5 -12.8262425632936 4229364 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC2)C(=O)NCC3=CC=C(C=C3)OC 1 2.776 2 4 -18.4777658179863 4229169 CC1=C(N(C2=CC=CC=C12)CC(CN3CCN(CC3)C)O)C 1 2.546 3 1 5.66917611453808 4229046 C1CSCC1=NNC(=O)COC2=CC(=CC=C2)Br 1 1.989 2 2 0 -5.40156550480477 4228983 CCN1CCN(CC1)C(=O)C2=CC(=CC(=C2)OC3=C(C(=C(C(=C3F)F)F)F)F)C(=O)N4CCN(CC4)CC 1 3.857 4 3 0 -2.40540706531764 4228956 CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4CC=CCC4C(=O)O 1 3.346 3 4 0 -6.57343365737193 4228943 CN1C=CN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.537 4 3 0 -10.4961918189139 4228812 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCCC(C3)C(=O)O)Br 1 2 2 5 0 -18.458993033935 4228806 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 0.256 4 7 0 -26.7892958810093 4228739 CC1(CC2=C(C(NC(=O)N2C)C3=CC=C(C=C3)Cl)C(=O)C1)C 1 2.631 2 2 -16.7533173925432 4228694 CC1=CC=C(O1)C2C3=C(C(=O)N2C4=NN=C(S4)C(C)C)OC5=CC=CC=C5C3=O 1 3.232 3 4 0 -11.9854865858048 4228659 CC1CCCC(C1C)NC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCCC3 1 2.444 3 3 -13.5012016883515 4228398 CC(C)OC1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=COCCO3 1 1.079 3 5 0 -7.76040209104713 4228364 COC1=C2C(=C(C=C1)N)C(=O)CCO2 1 0.724 1 3 0 -3.1992829540209 4228354 CCOC1=CC=CC=C1NC(=S)N(CCC(C)C)C2CCN(CC2)C(=O)C 1 4.331 3 2 -16.5684832383338 4228310 CCC1=CC=CC=C1NC(=S)NCC2=CC=CN2C 1 4.415 3 0 -10.5470871785572 4228309 CC1=CC=CC=C1NC(=S)N(CCN(C)C)C(C)C2=CC=CO2 1 4.922 3 1 -9.42316283289414 4228306 CC1=CC(=C(C=C1)NC(=S)N2CCC(C2)C3=CC=CC=C3)Cl 1 6.011 2 0 -2.48384256091615 4228282 CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)C(=O)N3CC(OC4=CC=CC=C43)C 1 1.58 4 5 0 -7.23752039649024 4228202 CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3N=C2CCCNC(=O)C 1 3.997 3 1 -9.22795547329334 4228191 CCC1=CC(=CC=C1)NC(=S)N(CCC(C)C)C2CCN(CC2)C(=O)C 1 4.941 3 1 -12.2640448733468 4228026 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NN=CC3=CC=C(C=C3)Cl)NC(=O)C4=CC=CS4 1 4.694 4 2 -11.8143575998831 4227972 COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br 1 2.611 4 4 0 -12.0415380756871 4227905 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)COC4=CC=C(C=C4)Cl 1 4.228 3 4 0 -15.4198938049745 4227902 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)F 1 2.062 4 6 0 -27.6484660171318 4227901 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=CC=C4C(F)(F)F 1 2.984 3 4 0 -18.0864241327072 4227795 CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4CC 1 5.44 4 1 0.961227883501898 4227760 C1=CC=C2C(=C1)N=C(N2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])SCC(=O)NCC4=CC=CS4 1 4.064 4 5 0 -21.0286894415082 4227699 CC(C)CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3 1 4.705 2 1 -14.6437077722123 4227633 CC(C)CCNC(=O)CN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=C3 1 3.147 3 2 -10.7765066514773 4227629 CC1=CC=C(C=C1)NC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4 1 4.294 3 2 1.59366307106955 4227407 C1CC(OC1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4 1 2.253 5 2 0 -18.8210093873061 4227181 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl)C 1 3.05 4 3 0 -13.4317163589112 4227166 CC1=NC=C(N1CC(=O)NN=CC2=CC=C(C=C2)F)[N+](=O)[O-] 1 1.113 5 3 0 -11.7084528687559 4227162 CC1=NC=C(N1CC(=O)NN=CC2=CC=CC=C2F)[N+](=O)[O-] 1 1.113 5 3 0 -11.1452968961176 4227132 CCSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)O)C#N 1 2.152 2 2 -12.0099652333515 4226990 C1=CC(=CC(=C1)Cl)C(=O)NC2=NN=C(O2)C3=CN=CC=C3 1 1.969 4 2 0 -2.36758772903877 4226874 CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=C(C=CC(=C3)OC)OC 1 3.037 2 5 0 -8.96072226935209 4226872 CCOC1=CC=C(C=C1)NC(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)O 1 3.402 2 4 -7.47860120469013 4226870 CCOC(=O)N1CCN(CC1)C(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)O 1 1.908 3 5 0 -9.78483652721094 4226783 CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O 1 2.738 1 5 -14.791552297731 4226781 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)F 1 1.787 2 4 0 -9.91585733996581 4226766 CC1CCC(C(C1)OCC[N+](C)(C)C)C(C)C 1 1.971 1 1 0 -2.01187719238242 4226656 C1CCC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C(C1)C3=CC=CC=N3 1 3.84 4 2 -5.10667752755943 4226646 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(O2)C3=NNC4=CC=CC=C43 1 3.893 5 2 0 -16.2099174864488 4226620 CC1=CC2=NC(=C(N2C=C1)NC(=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)OC 1 4.294 3 3 -6.15848005731523 4226612 CC(C)(C)C1=CC=C(C=C1)C(=NNC(=O)C2=CC=C(C=C2)CSC3=NN=CN3C)CCC(=O)O 1 4.146 5 3 0 -20.6803891326844 4226568 CC1(C2CCC1(C3=C2C(=NN3C4=CC=CC=C4)C(=O)N5CCOCC5)C)C 1 3.731 3 2 -9.97390235387269 4226559 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NCCS2 1 1.917 3 3 0 -21.365461848261 4226557 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCN2C=CN=C2 1 0.656 4 3 0 -15.700119223034 4226492 C1CCC(CC1)N2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)S(=O)(=O)N5CCCC5)OC3=O 1 2.205 4 5 0 -16.6390864179538 4226490 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)NC4=CC=CC=C4Br 1 2.508 3 5 0 -19.1098997937745 4226358 C1C(=O)N(C(S1)C2=CC=CC=N2)C3=CC=C(C=C3)Br 1 3.271 2 1 -10.0601429146942 4226311 CCOC1=CN=C(O1)C(=O)NNC(=O)C(C(C)C)Br 1 0.972 3 4 0 -6.54903178061176 4226224 C1=CC=C(C(=C1)N2C3=C(C(=O)NC2=O)C(NC(=O)N3)(C(F)(F)F)C(F)(F)F)F 1 2.387 4 3 0 -2.48345965157274 4226173 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35 1 3.781 3 2 -4.52058423880027 4226151 CCOC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3F 1 3.372 3 2 -0.523214106613659 4226016 CC1=C(C(=CC=C1)C)NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC 1 5.378 3 1 -4.35145207365122 4226014 CC1=C(C=C(C=C1)NC(=O)NCC2CCN(C2)C3=CC=C(C=C3)OC)C 1 3.812 3 2 -2.02748227068691 4226013 CCC1=CC=C(C=C1)NC(=O)NCC2CCN(C2)C3=CC=C(C=C3)OC 1 3.782 3 2 -2.01900559182588 4225979 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NCCCN4CCCC(C4)C 1 2.167 4 4 0 -30.1813547418768 4225973 C1CN(CC1C2=CC=CC=C2)C(=S)NC3=CC(=CC(=C3)F)F 1 5.271 2 0 -5.5379125764598 4225961 CSC1=NSC(=N1)SCC(=O)NC2=CC=CC=C2F 1 3.146 3 1 -11.3540731022334 4225943 C1CC2CC1CC2CC(=O)OCC(=O)NC3=CC=C(C=C3)F 1 2.91 1 3 -1.93986053625062 4225909 CC1=C(C(C(=C(N1)C)C(=O)OCC2CCCO2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCCNC(=O)C4=CC=CC=C4O 1 2.739 3 9 0 -29.8489556722388 4225691 C1COCCN1C2=C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 0.995 3 7 0 -10.6710086191762 4225651 CC1=CC(=NC=C1)NC(=O)C2=CC=CC3=CC=CC=C32 1 3.397 2 1 -0.716354142340071 4225644 CC(=O)C(C)(CCC(C)(C(=O)C)OC(=O)C)OC(=O)C 1 0.561 0 6 0 -3.74636798363815 4225516 C1=CC(=C(N=C1)SCC2=CN3C=C(C=CC3=N2)Br)C(=O)O 1 2.677 3 2 -7.13149893757629 4225471 CC(C)(C)C(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CS3 1 3.056 3 3 -14.7983901269712 4225285 CCOC1=CC=C(C=C1)C=NC2=CC=CC3=C2C=CC=N3 1 3.945 2 1 6.12788330526741 4225134 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)CN3CCOCC3 1 0.821 5 4 0 -21.3407669930012 4225129 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=N3 1 2.363 3 4 0 -8.95894774851997 4225125 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 1.451 3 6 0 -25.3206507296164 4225090 CC(C)CCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 1.143 3 6 0 -32.1697406255161 4225089 COC(CNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4(CC3)OCCO4)OC 1 -0.499 3 8 0 -32.3761294495073 4225068 COC(=O)NC1=CC(=C(C=C1)N2CCOCC2)S(=O)(=O)N3CCOCC3 1 0.248 3 6 0 -15.0015067422392 4225066 CC1(C2(CCC1(C2Br)C(=O)NC(C)(C)C)C(Br)Br)C 1 3.843 1 1 -8.99742031578677 4225064 C1=CC=C2C(=C1)C3=C(C(C(=C(O3)N)C#N)C4=CC=C(O4)[N+](=O)[O-])C(=O)O2 1 1.799 3 6 0 -12.1755634164947 4224809 CC(=O)CC1=NSC(=N1)NC2=CC=C(C=C2)F 1 1.685 3 1 0 0.900113200955956 4224805 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCCC(=O)N3CCCCC3)C 1 1.186 4 3 0 -28.5901359065159 4224748 C1COCCN1CCCN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4Br 1 3.291 3 2 -10.8844078864175 4224636 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-] 1 2.89 3 5 0 -11.0287282758045 4224575 CC(=NN(C)C)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)[N+](=O)[O-] 1 3.054 3 4 0 -4.77607043820743 4224323 CCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC=CC=C4C(=O)O3 1 2.522 2 4 -9.1771691193395 4224315 CCC1=CC2=C(C=C1)N=C(N=C2C)NC(=NC(=O)C3=CC=CC=C3)N 1 3.753 5 1 -3.38979102917729 4224221 CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)F 1 4.374 2 1 -12.9258760953914 4224150 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(=O)C4=CC=CO4)CC(=O)OC 1 0.15 6 6 0 -18.0670529847404 4224066 CCC(C)C1=CC=CC=C1NC(=S)NC2=CN=CC=C2 1 4.866 3 0 -6.49970569870243 4223974 CCC(=O)NC1=C(C=CC2=C1OC(=O)C=C2C)OC(=O)CC 1 2.568 1 5 -9.920068723453 4223947 CC1=CC=CC=C1C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=CC=C3 1 3.466 3 4 0 -9.96939004554415 4223919 CC(C)OC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C(NC(C3)(C)C)(C)C)C(=O)OC 1 4.035 2 4 -22.7607844741572 4223812 CCC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2 1 1.127 2 2 0 -9.56755416664811 4223770 CC1=CC=CC=C1C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)F 1 3.937 2 2 -18.7340305154265 4223752 CC1(CC(=NNC(=S)NC2=CC(=CC=C2)OC)C3=C(O1)C=CC(=C3)O)C 1 4.308 3 3 -10.9720607961561 4223749 CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C=NNC(=O)C3=CC=CC=N3 1 3.022 5 3 0 -9.65864999315973 4223738 C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC(=O)NC5=CC=CC=C54 1 2.244 4 4 0 -29.9153212500407 4223690 CC1=NN(C(=C1C=NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-])N4CCCC4)C5=CC=CC=C5 1 5.087 7 4 0 -3.39587009261775 4223552 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3CCS(=O)(=O)C3 1 -0.638 2 8 0 -24.7515758246284 4223538 CC1CCC2=C(C1)C=NC3=NC=NN23 1 2.012 4 0 -7.85825408048165 4223534 CC1(C(C1(Cl)Cl)CSC2=NC3=CC=CC=C3N2)C 1 4.305 2 0 -0.738973906424155 4223530 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 2.741 3 6 0 -25.65250050602 4223495 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)OC 1 3.172 2 6 0 -10.1640736712736 4223397 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)CC3C(=O)NC4=CC=CC=C4S3 1 3.547 2 6 0 -17.7459272304019 4223335 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=O)C3(CC(CC(C3)(C)C)C)NC2=O 1 3.292 3 7 0 -24.4507405305804 4223284 COCCNC(=S)NN=CC1=CC2=C(C=C1)OCCO2 1 1.886 3 3 0 -13.8680973980396 4223229 CC1(CC(N(C(=S)N1)C2=CC(=CC=C2)Cl)(C)C3=C(C=C(C=C3)O)O)C 1 5.326 2 2 5.69181973320506 4223204 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4 1 3.188 3 6 0 -25.6090126110862 4223181 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N(C)C)S(=O)(=O)NCC5CCCO5 1 3.689 5 4 0 -21.2298737655718 4223083 CC1=NC(=NN1)SC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 3.888 3 1 -5.29160984802086 4222988 CCCN(CC1CC1)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 6.301 2 1 -8.14551638574797 4222854 CC1=C(C(=NN1CC(C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C)Cl 1 0.724 4 6 0 -15.0183351527022 4222770 CC1=CC2=CC3=C(C=C(C=C3N=C2C=C1)[N+](=O)[O-])[N+](=O)[O-] 1 3.628 3 4 0 4.88457653591705 4222635 CC1=CC(=C(C=C1C(=O)COC(=O)CCCNC(=O)N)C)C 1 2.154 2 4 -14.9495631077983 4222618 CC(C)NC(=S)NN=C(C)C1=CC2=C(C=C1)OCCO2 1 2.724 3 2 -14.22734454733 4222374 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)CNC(=O)C3=CC4=C(C=C3)OCO4 1 2.537 5 4 0 -22.2184538836774 4222340 CCC(C)C(C(=O)NC1CCC(CC1)C)NC(=O)N 1 2.117 3 2 -20.5959443651644 4222237 COC1=C(C=C(C=C1)NC(=O)C2=CNC(=O)C=C2)S(=O)(=O)N3CCOCC3 1 -0.791 3 6 0 -23.3660407695192 4222186 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCC(CC2)CC3=CC=CC=C3 1 3.095 4 2 -15.2092047451708 4222113 CC(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC(C)C3=CC=CC=C3 1 4.002 4 3 0 -5.51407958116967 4222021 CCN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N 1 2.071 4 2 0.133618533586552 4221772 CCCCN1C(=C(C(=O)N(C1=O)CC(=O)NC(C)C2=CC=CC=C2)N3CCOCC3)N 1 0.988 5 4 0 -16.1073205915102 4221771 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)C 1 0.679 2 7 0 -23.5265221853391 4221704 CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2OC)C 1 3.262 4 4 0 -6.11925219512496 4221681 COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCC2C3=CN=CC=C3)OC 1 3.793 3 3 -11.0529137713796 4221665 C1=CC=C(C=C1)C(CC(=O)NC2=NC=CS2)C3=CC=CO3 1 2.571 2 2 -12.0378610449654 4221656 CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)C4CCS(=O)(=O)C4 1 3.079 3 4 0 -27.7655966617536 4221646 CC1=C(SC2=NC=NC(=C12)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)C 1 1.808 4 4 0 -8.31387692210931 4221626 CN1C(=NN=C1SC2CCCCC2=O)C3=CC=NC=C3 1 2.143 4 1 -3.49354403975643 4221532 CC(C)OP(=O)(C(C1=CC=C(C=C1)F)NC2=CC=CC=N2)OC(C)C 1 3.782 2 3 -3.49677672136386 4221438 CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 4.616 4 3 0 -14.1262202854524 4221396 COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)C5CCCCC5)OC 1 2.984 5 4 0 -27.8216482229496 4221400 CC1(CN(C1=O)C(CC2=CC=CC=C2)C(=O)N)C 1 1.287 2 2 0 -1.9871962295348 4221279 COC1=C(C2=NC3=CC=CC=C3N=C2C=C1)NC(=O)C4=C(C=C(C=C4)Cl)Cl 1 5.156 3 2 0.584140742854003 4221227 COC1=CC=C(C=C1)NC(=O)CCC(=O)NN=CC2=CC=NC=C2 1 0.852 4 3 0 -9.34100522078601 4221226 CC1=CC=C(C=C1)N2C3=C(C(=O)CC(C3)(C)C)C(C2=O)(C(F)(F)F)NC(=O)C4=C(C=CC=C4F)F 1 4.662 2 3 -13.2669090781272 4221219 COC1=CC(=C(C=C1)C(=O)NCCN2CCOCC2)OC 1 0.831 2 4 0 -9.76054635732888 4221182 CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C(=O)C(=O)N(CC=C)CC=C 1 3.424 3 4 0 -14.1684595526475 4221181 CC1=C(C(=O)N2N1C(=C(C2=O)Cl)C)Cl 1 0.511 2 2 0 -2.49365994699154 4221180 C1=CC(=CC(=C1)Br)C(=O)NCCCN2C=CN=C2 1 1.59 3 1 0 -5.24532562535612 4221172 CC1=NN=C(S1)SCCOC2=CC=CC=C2 1 2.738 2 1 -9.44584396171738 4221159 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)NC2=CC=C(C=C2)Cl 1 2.112 4 4 0 -8.89505759552821 4221076 CCOC(=O)C(=CNC1=CC=CC=C1C)C(=O)OCC 1 2.493 1 4 -2.5569975333636 4221074 COC1=C(C=C2C(=C1)C3=NC(=O)CN3C(=N2)SCC4=CC=CC=C4)OC 1 3.517 3 3 -14.2608642289414 4221073 CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)NCC=C)Cl 1 2.184 3 1 -5.1102941819312 4220985 CN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=C(C=C4)OC 1 1.942 3 5 0 -5.42201395439596 4220983 CC1=CC=C(O1)C=NNC(=O)CC2C(=NNC2=O)C 1 -0.255 4 3 0 -16.9105803951933 4220926 CC1=CC(=NO1)NC(=O)CN2C(=O)C(NC2=O)CCSC 1 -0.368 4 4 0 -20.8799973696928 4220925 COC1=CC=C(C=C1)C(=O)CC(CC(=O)C2=CC=C(C=C2)OC)C(=O)O 1 2.797 0 6 -4.36584728680468 4220848 CC(C)(C)C1=CC=C(C=C1)C2=C3C(=CN2CC4CCCO4)N(C(=O)N(C3=O)C)C 1 3.845 3 3 -10.0773161857434 4220844 C1COCCN1C2=C(N=C(O2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4 1 3.474 2 4 -7.56820449538588 4220843 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=C(C=C3)F)N4CCOCC4 1 3.96 2 4 -6.67219485614972 4220842 CCOP(=O)(C1=C(OC(=N1)C2=CC=C(C=C2)F)NCC3=CC=CC=C3)OCC 1 3.853 2 4 4.69928292501516 4220816 C1CCC(C(C1)N2C3=CC=CC=C3N=N2)Cl 1 3.736 3 0 -4.11833770472411 4220815 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=C3CCCC3 1 2.423 3 4 0 -15.8196063822172 4220804 CC1=CC=C(N1C(CC(=O)O)C2=CC=C(C=C2)C#N)C 1 2.641 2 2 -8.60480086183422 4220696 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC34CC5CC(C3)CC(C5)C4 1 3.516 2 4 -18.9815982703272 4220646 CC1COC2C(O1)NC(=N2)N[N+](=O)[O-] 1 1.784 4 4 0 -6.59397787816358 4220641 C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NC3=NC=C(C=C3)Cl 1 2.934 3 3 -6.7828586385964 4220534 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)N(CCOC)CCOC 1 2.389 3 4 0 -17.4853594596868 4220434 CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)C)C3=CC=CO3 1 3.905 0 4 -8.68558585099476 4220409 CCOC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=S 1 3.633 3 3 -12.3867203820663 4220351 CC1=CC=C(C=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C(C)(C)C 1 3.246 3 3 -9.76914608239239 4220339 C1C2CC3CC1CC(C2)(C3)CC(=O)OCC(=O)NC4=C(C=C(C=N4)Cl)Cl 1 3.965 2 3 -2.79495774727657 4220337 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=NNC4=CC=CC=C43 1 1.198 4 6 0 -30.3993177648315 4220305 CC(=NNC(=O)CN(C1=CC=CC=C1OC)S(=O)(=O)C)C2=CC(=CC=C2)Br 1 2.364 3 4 0 -15.8025927488676 4220289 CCN1C=C(C=N1)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-] 1 2.659 5 3 0 -15.245855010087 4220262 C1C(OC2=CC=CC=C2O1)C(=O)NCC(=O)NN=CC3=CC=CC=C3Cl 1 2.18 3 4 0 -7.4219261747321 4220212 CCOC(=O)N1CCC2(CC1)C(=C(OC3=NNC(=C23)C)N)C#N 1 0.913 5 3 0 -6.21855042639903 4220195 C1C(=O)N(C(S1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC5=CC=CC=C5 1 4.567 1 4 -11.1538707501606 4240449 CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(O3)C=CC(=C4)Cl 1 4.688 4 2 -9.55732660466937 4240383 COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)NN=C3CCCC3)[N+](=O)[O-] 1 3.083 4 5 0 -11.721362983883 4240382 CCCOC1=CC(=C(C=C1)C=NNC2=CC=CC=C2[N+](=O)[O-])OCCC 1 5.055 3 4 0 -0.583858652779923 4240381 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NN=C(C)C2=CC=NC=C2)[N+](=O)[O-] 1 1.987 5 4 0 -16.5635009110593 4240358 COC1=CC(=C(C=C1)C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)Br)OC 1 2.734 3 4 0 -7.87696182753402 4220137 CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CS3 1 3.733 1 4 -19.134737593969 4220108 CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=C(N=C4C=C(C=CC4=C3)OC)Cl 1 3.748 3 2 -3.53024505027339 4220097 C1CCC2(CC1)N(CCO2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.873 1 3 -7.50935265032978 4220093 COC1=CC2=C(C=C1)C=CNC(=O)C2 1 0.745 1 2 0 -2.98486151215979 4220092 CCC(=O)C1=CNC(=C1)C(=O)NCCC2=CC=CC=N2 1 1.726 3 2 0 -9.91176872824163 4220063 CC1=C(SC(=N1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CN=CC=C5)C(=O)OCC=C 1 2.827 3 5 0 -18.3027279285314 4220055 CC1=NN=C(S1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC=CO5 1 1.957 3 4 0 -13.5007168861137 4220048 CCN1CCC2=C(C1=O)C=CC=C2OCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OCC 1 3.205 2 5 0 -21.0344513569017 4220030 CC(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2C3CCC(C3)C2C(=O)O 1 2.388 2 4 -7.64709361570368 4219997 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=CC=C3)[N+](=O)[O-])C4=C(NN(C4=O)C5=CC=CC=C5)C 1 3.268 5 4 0 -9.59028755923626 4219967 CC(C)(C)C(=O)C1C(C2(C3N1C=C(C=C3)C#N)C(=O)C4=CC=CC=C4C2=O)C5=C(C(=CC=C5)OC)OC 1 4.051 2 5 0 -9.79947643104521 4219965 CSC1=NC(=NN1C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.612 3 1 2.77461471587908 4219924 COCCNC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCOC 1 0.974 4 6 0 -6.60786005539604 4240212 C1=CC=C(C(=C1)C=NNC2=CC=C(C=C2)S(=O)(=O)N)Br 1 2.902 3 2 -2.86708138989352 4240176 COC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 1.733 3 7 0 -24.4963838466098 4240155 C=CCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 4.097 3 6 0 -12.3488242477372 4240056 CC1=NN=C(N(C1=O)N)SCC(=O)NC2=CC=C(C=C2)NC(=O)C 1 -0.184 6 3 0 -17.6823065281039 4240036 CCOC(=O)C1C(NC(=S)NC1(C)O)C2=CC=CC=C2 1 1.903 2 3 0 -3.41150953506264 4219785 COC(=O)C1CSC2N1C(=O)C3=CC=CC=C23 1 1.472 1 3 0 -9.81049054059459 4240030 CC(CNC12CC3CC(C1)CC(C3)C2)O 1 1.765 1 1 0 1.076026024666 4239910 C1C=CC2C1CC2=NNC(=O)C3=CC=CC=C3Cl 1 2.514 2 1 -2.83342180200059 4219736 CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2N=NC3=CC=C(C=C3)N(C)C 1 4.593 4 4 0 -8.49335672300898 4219735 CC1CCCC(N1C(=O)COC(=O)COC2=CC=C(C=C2)OC)C 1 2.442 1 5 -12.0152513944868 4219733 CC1(CC2=C3C4=C(C(=NN=N4)NCCOC)SC3=NC(=C2CO1)N5CCOCC5)C 1 1.528 6 3 0 -17.9869769617819 4219710 CCOC1=CC=C(C=C1)NC(=O)CCCN2C(CC(NC2=S)(C)C)C 1 3.572 3 2 -14.0160416717088 4219709 CC1CC(NC(=S)N1CCCC(=O)NCCC2=CC=C(C=C2)Cl)(C)C 1 4.233 3 1 -15.6058764246543 4219703 CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC(=C(C(=C2)OC)O)OC 1 2.675 2 6 0 -0.891056640558354 4219666 CC(C1=CC=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2 1 3.872 2 1 -10.8875401855192 4219644 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)C3=CC=C(C=C3)C(C)C 1 4.06 7 1 0 -12.254753646019 4219634 CCOCCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)CSCC(=O)NC3=NOC(=C3)C 1 2.606 4 5 0 -22.4798429319269 4219609 CCNC1=C(N=CN1C)[N+](=O)[O-] 1 0.638 4 2 0 -4.86046048137759 4219550 CSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)NC(=O)C6=CN=CC=C6 1 2.831 5 3 0 -16.5634498213135 4239634 CC(=O)C1=CC(=CC=C1)OCC(CNCCC2=CC=C(C=C2)Cl)O 1 3.214 1 3 -1.57528916479601 4239500 C1=CC(=CC=C1C2=CN3C=C(C=CC3=N2)[N+](=O)[O-])OC(F)F 1 3.217 3 3 2.3258233379455 4239439 COC1=C(C=CC(=C1)C(=O)NC2CCCC3=CC=CC=C23)OCC(=O)NC4=CC=C(C=C4)F 1 4.446 2 4 -14.1379541245386 4239433 CCCC(C)NC(=O)CN1C(=O)C2=C(N=CN2CCC(C)C)N(C1=O)CC3=CC=CC=C3 1 3.83 5 3 0 -20.7453626852083 4239327 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4 1 4.95 4 3 0 -20.9323362326537 4239277 CC1=CC=C(C=C1)OCC(=O)NC(CC(=O)O)C2=CC(=C(C=C2)OC)OC 1 2.668 1 6 0 -14.3978213100741 4238970 CC(C)CN1C2=C(N=C1C3=C(C=CC(=C3)Br)F)N(C(=O)NC2=O)CC(C)C 1 4.956 4 2 -6.60445542666307 4238855 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 1.285 5 6 0 -21.9289307430174 4238853 CC1=NC(=NC=C1)OC(C(=O)O)C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)OC 1 4.705 2 4 -3.13741883473227 4238843 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)CN2C(=O)C3CCCCC3C2=O 1 1.845 2 7 0 -20.2554519850197 4238842 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NCC3=CC=CC=C3Cl)C 1 2.87 3 3 -12.0207832864606 4238834 C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3N)CC4=CC=CC5=CC=CC=C54 1 2.302 6 2 0 -20.0556151345097 4238803 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)OC)OC 1 1.656 3 5 0 -22.8611410138249 4238743 CC(=O)C1=CC(=C(C=C1)COC2=C(C=C(C=C2)C(=O)OCC(=O)NC3CCS(=O)(=O)C3)OC)OC 1 1.527 1 9 0 -25.2780773762574 4238635 C1CC2=NC(=CN2C3=C1C=CC4=C3N=CC=C4)C5=CC=C(C=C5)Br 1 4.967 3 0 4.14346437708737 4238629 CCC(C)(C(=O)NC1CCCCC1)N(C)C(=O)C2=CC3=C(C=C2)OCO3 1 3.249 2 4 -15.5971924242144 4219525 CC1CC(NC(=S)N1CCCC(=O)NC2=CC=C(C=C2)Cl)(C)C 1 3.904 3 1 -11.0148536202699 4219511 CC1CC(NC(=S)N1CC(=O)NC2=C(C=C(C=C2)Br)C)(C)C 1 3.905 3 1 -11.6704336282598 4219491 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)N4CCOCC4 1 3.039 3 3 -6.39647767912674 4219434 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC 1 3.528 2 2 -1.9757360257589 4219415 CC1=CSC(=C1N2C=CC(=C2)C(=O)C(=O)N(C)C)C(=O)OC 1 2.301 2 4 -6.23905439080591 4219413 CN1C=C(C2=CC=CC=C21)C(=O)N3CCOCC3 1 1.431 2 2 0 -7.65425415567163 4219404 CC1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NC4=CC=CC=C4OC)C 1 2.723 4 4 0 -26.9662639931499 4219378 C1CCC(=CC1)CCNC(=O)CCSCC2=CC(=CC=C2)Cl 1 4.678 1 1 -14.8450575078284 4219375 C1CCC(C1)NC(=O)CCSCC2=CC(=CC=C2)Cl 1 3.753 1 1 -9.72844821461175 4219374 C1=CC=C(C=C1)CCNC(=O)CCSCC2=CC(=CC=C2)Cl 1 4.255 1 1 -12.4049868888955 4219373 COC1=CC=C(C=C1)CNC(=O)CCSCC2=CC(=CC=C2)Cl 1 3.918 1 2 -12.497297478601 4219369 COC1=CC=CC=C1CNC(=O)CCSCC2=CC(=CC=C2)Cl 1 3.918 1 2 -14.5737769826952 4219295 C1COCCN1CCC(=O)NC2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3F)N4CC5CC(C4)C6=CC=CC(=O)N6C5 1 1.923 5 4 0 -14.5632844649532 4219275 C1COC(=O)C1OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 2.184 1 6 0 -23.3740161464842 4219250 COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)N3CCOCC3)OC 1 0.192 4 6 0 -29.4626605177675 4219209 C1CN(CCN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N=C3 1 3.21 4 0 6.78960852262511 4219208 CC1=CC=C(C=C1)CN(CCO)CCO 1 1.311 1 2 0 4.78904857293153 4219198 CCCCCCCNC1=NC=NC2=C1N(C3=CC=CC=C32)C 1 4.751 4 0 -0.872878552471673 4219148 COC1=CC=C(C=C1)CCN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)N5C=CC=CC5=N3 1 3.445 4 4 0 -18.1209610912005 4219136 CC1=C(C(=NO1)C(=O)C)C(=O)NC2=NC=CS2 1 0.379 3 3 0 -12.9824201304146 4219130 CCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=C(C=CC=C2Cl)Cl)O 1 4.833 1 3 -6.46978149007278 4219065 CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC=CC=C2 1 2.589 3 3 -23.7372860965616 4219063 C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC=N4 1 2.894 2 1 -2.31726360652024 4219053 C1=CC=C(C=C1)CCCNC(=S)NCC2=CC=CC=C2 1 4.602 2 0 -10.7134885694869 4219033 C1CCC(CC1)N(CC2=CC=CC=C2F)C(=S)NCC(=O)O 1 4.322 2 2 -9.937558174434 4219030 C1CCC(C1)N(CC2=CC=CC=C2Cl)C(=S)NCC(=O)O 1 4.325 2 2 -9.56501071388293 4218986 COC1=C(C=C(C=C1)C=NNC(=O)C2=NC(=C(C(=C2Cl)N)Cl)Cl)COC3=CC=CC=C3F 1 5.173 4 3 0 -6.26127276081083 4218969 CN1C=CN=C1SCC2=CC(=CC=C2)[N+](=O)[O-] 1 2.484 3 2 -7.00810369576764 4218869 CCCCCCNCC(=O)N1CCC(CC1)CC2=CC=CC=C2 1 3.948 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CCNC(=S)NN=C1CCCCC2=CC=CC=C21 1 3.798 3 0 -12.0178480340962 4218312 COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC#N 1 1.083 5 3 0 -13.3986216295083 4218291 CC1CC(CN(C1)CC2=CC(=O)OC3=C2C=CC(=C3)C)C 1 3.975 1 2 -7.19632372570182 4218279 CCOC(=O)C1=NN(C2(S1)N(C(=C(S2)C(=O)C)C)C3=CC=CC=C3)C4=CC=CC(=C4)C 1 7.196 3 3 -6.24593078417458 4218229 COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNS(=O)(=O)C3=CC=C(C=C3)F 1 2.201 2 5 0 -8.89095201855396 4217994 C1CCN(C1)CCNC(=O)CN2C(=O)COC3=CC=CC=C32 1 0.485 3 3 0 -11.0085088080545 4217980 C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NN=CC4=CN=CC=C4 1 3.148 3 1 -0.226930355067024 4217898 CC1CCCCC1NC(=O)CN2C(=O)COC3=CC=CC=C32 1 2.063 2 3 -12.7361951413342 4217746 CCC1=CC=C(C=C1)CNN2C=NN=C2SCC(=O)NC(C)(C)C 1 2.508 5 1 -18.4042846209465 4217744 CC1=CC=C(C=C1)C(=O)NC(C)C2=CC(=C(C=C2Br)OC)OC 1 4.2 1 3 -10.5607304899293 4217712 COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC 1 2.775 0 4 -1.00984261840133 4217660 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3 1 3.637 1 5 -17.3372832503249 4217585 CC1=C(C=CC=C1Cl)NC(=S)N(CCN(C)C)C(C)C2=CC=CO2 1 5.587 3 1 -5.60253104176827 4217508 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C(C)N(C)C 1 2.54 7 2 0 -25.2137421350765 4217488 CCC1=CC=CC=C1NC(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)OCC)N)C 1 4.069 6 2 0 -14.8690161238422 4217389 CC1=CC(=CC=C1)NC(=S)N(CCN(C)C)C(C)C2=CC=CC=N2 1 4.805 4 0 -4.60333845234256 4217317 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C=C3)OC)OC)CC4CCCO4)O 1 2.252 1 7 0 -23.2773747877693 4217245 CCOC1=C(C=CC(=C1)C=NNC2=CC=CC(=C2)C(=O)O)OC(=O)C3=CC=CC=C3 1 4.842 2 5 0 -9.78216706449786 4217247 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NNC(=S)O3 1 3.311 3 3 -9.73884530007822 4216950 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC(=CC(=C3)OC)OC 1 2.857 1 6 0 -22.2859492875759 4216860 CC(C(=O)NC1CCCC1)OC(=O)COC2=CC=CC=C2 1 2.466 1 4 -11.9056271480087 4216814 C1=CC=NC(=C1)SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.955 3 3 -11.7102421673461 4216758 COC1=C(C=C(C=C1)CCNC(=O)CC2C(=O)N=C(S2)NCCC3=CC=CC=C3)OC 1 3.525 3 4 0 -19.5104695654871 4216735 CNC(=S)N1C=NC(=N1)N 1 0.443 5 0 0 -4.67263873767539 4216653 CCCNC(=O)CN1C(=CC(=O)C(C)(C)C)SC(=CC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C1=O 1 4.694 3 6 0 -12.6935016026498 4216644 CC(=NNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2)C3=CC=CC=N3 1 2.215 4 3 0 -8.99016205787376 4216593 CN1C2=CC=CC=C2N=C1NN=CC3=CC4=CC=CC=C4N=C3Cl 1 4.134 5 0 3.3992094745123 4216560 CCC1=CC=CC(=C1NC(=O)C(C2=CC=C(C=C2)O)N3CCC3=O)C 1 3.055 2 3 -8.60424777557305 4216546 CC1=C(C=C(C=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2)S(=O)(=O)N4CCCCC4 1 2.923 2 5 0 -17.7141820632699 4216489 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(C3=CC=CC=C3)O 1 2.463 2 3 -15.4719147748998 4216484 CC(C)CNC(=O)CN1C(=O)C(NC1=O)CC2=CNC3=CC=CC=C32 1 1.63 4 3 0 -13.2155621775916 4216470 CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC=C(S2)Cl 1 4.207 3 0 -5.81845650622527 4216432 CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)Cl 1 3.293 2 5 0 -9.23432979874672 4216385 C1=CC(=CC=C1C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NCCCN4C=CN=C4)Cl)Br 1 4.274 6 1 0 -8.57522386738951 4216298 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3Cl)F 1 4.527 2 3 -13.6052041181818 4216270 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)O 1 1.976 6 4 0 -24.3879480550709 4216259 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C(=O)C(=C(C=N3)Cl)Cl)CCC 1 2.48 6 3 0 2.27749331384142e-003 4216215 CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C 1 3.537 2 5 0 -19.4837960399092 4216167 CN=C(NC1=CC=CC=C1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC 1 2.963 3 4 0 -4.71526928997979 4216155 C1=CC=C(C(=C1)C2=CSC(=NC3=CN=CC=C3)N2CCCN4C=CN=C4)F 1 2.446 5 0 3.08830420751389 4216073 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4C=C3)Cl 1 4.365 3 4 0 -11.1150444348489 4215818 CN(C)C(CNC(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)C4=CC=CC=C4 1 3.15 3 3 -11.6599450046196 4215799 C1=CC=C(C=C1)NN=CC2=C(N=C3C=CC=CN3C2=O)SC4=NN=NN4C5=CC=CC=C5 1 3.461 8 1 0 -16.2826951670997 4215797 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O 1 3.43 3 3 -2.86381752994389 4215766 CC1=CSC2=NC=C(C(=O)N12)C(=O)N(CC3=CC=CC=C3)C4=CC=CC=N4 1 2.317 4 2 -12.9200121166969 4215737 CC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3CCCO3)C4=CC=C(C=C4)OC 1 4.707 2 3 -9.52734128813648 4215636 CC1(C2CCC1(C(=NNC(=S)NC3=CC(=CC=C3)OC)C2)C)C 1 4.556 3 1 -5.64252563486547 4215606 COC1=CC=C(C=C1)CNC2=NN=C(CS2)C3=CC=C(C=C3)Cl 1 4.379 3 1 -0.115944170583512 4215541 CC1=CC(=CC=C1)CN2CCN(C2=O)CC(=O)NCC3=CC=C(C=C3)F 1 2.518 3 2 -12.7237662277036 4215570 COC1=CC(=CC(=C1)C(=O)NN2CCOCC2)OC 1 0.407 2 4 0 -10.54492165247 4215550 CC1=CC=CC=C1NC2=C(C(=O)OC2NC(=O)C3=CC=CC=C3)Cl 1 3.389 2 3 -6.91122726829747 4215548 CC1=CC(=CC=C1)NC2=C(C(=O)OC2NC(=O)C3=CC=CC=C3)Cl 1 3.389 2 3 -4.38631820485881 4215490 CC1(CC1(Cl)Cl)C(=O)NC(=S)N(CCC#N)CC2=CN=CC=C2 1 2.607 4 1 -13.1718794708404 4215477 CC1CC2=CC=CC=C2N1CC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.93 3 2 -8.14295076259264 4215475 CC1CCC(CC1)C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=C(C=C2)Cl 1 4.191 1 4 -23.10681390068 4215415 CC1=C(C=CC(=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NC4=CC(=C(C=C4)F)F)C)N)Cl 1 4.356 6 1 0 -9.23117989817058 4215325 COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)NC2=S 1 4.745 4 3 0 -6.15554406901458 4215318 COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)NC2=S 1 4.04 3 3 -7.92280200506836 4215315 COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)NC2=S 1 4.752 4 3 0 -3.914127671791 4215313 C1=CC(=CC=C1C2=NC3=NC=NN3C(=C2)C(F)(F)F)F 1 3.763 4 0 -6.59071433052736 4215307 CC1CC2=CC=CC=C2N1C(=O)CON=CC3=CC=C(C=C3)OC(F)F 1 3.795 2 3 -3.11154008097067 4215295 CC1CC(CN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCOC)C 1 2.981 3 3 -14.1540964379469 4215280 CC1=NOC(=C1C2(C3=CC=CC=C3N(C2=O)C(C)C)O)N 1 0.76 3 3 0 -2.08622212771482 4215262 CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(N=CC=C2)OCC 1 3.469 2 4 -14.1913799772916 4215240 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)O)CN3CCCC4=CC=CC=C43 1 4.701 3 3 -14.1929929559235 4215239 COC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)CN3CCCC4=CC=CC=C43 1 4.927 3 3 -16.3170604272973 4215215 CC1=C(C(=CC=C1)C)NC(=S)NN=C(C)CC2=CC=C(C=C2)OC 1 5.047 3 1 -7.57646931903632 4215186 CC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(O2)C 1 1.919 3 2 0 -16.3388883038059 4215151 CC1=NC=C(N1CCOC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-] 1 2.598 3 4 0 -10.3054695073018 4215149 CC1(CC(=O)C(C(=O)C1)CC(=O)NC2CCCC3=CC=CC=C23)C 1 2.589 1 3 -14.1621040000018 4215101 CC1=NOC(=C1C2(C3=CC(=CC(=C3NC2=O)Cl)Cl)O)N 1 1.157 3 3 0 -0.752097252771994 4215082 COC1=CC=C(C=C1)CNC2=NN=C(CS2)C3=CC=CC=C3 1 3.714 3 1 -2.41245927748553 4215004 C1CN(CCN1CC(COC2=CC(=CC=C2)Br)O)S(=O)(=O)C3=CC=CS3 1 2.56 2 4 -14.5383223120727 4214897 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=CS3)S(=O)(=O)N4CCCCC4 1 3.322 4 4 0 -28.307314126708 4214878 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)F 1 2.184 5 2 0 -13.8516342629654 4214837 C#CCNC1=CC=C(C=C1)[N+](=O)[O-] 1 2.725 2 2 -5.98988947817881 4214765 CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN3CCOCC3 1 1.422 7 3 0 2.05065145305851 4214545 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)C 1 1.169 4 6 0 -29.5878742950358 4214467 COC1=CC=CC(=C1OCC=C)CNC2=CC=CC(=C2)C(=O)O 1 3.436 1 4 -10.0106771850258 4214450 COC1=C(C=C2CN(CCC2=C1)C(=O)NC3=CC=CC=C3Cl)OC 1 3.441 2 3 -11.93326991384 4214317 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 1.159 4 6 0 -25.5397416197008 4214295 CC(C(=O)NC1CCCC1)SC2=NN=NN2C3=CC=C(C=C3)OC 1 2.73 5 2 0 -18.425426161036 4214170 CC(C(=O)OC)OC1=CC(=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)OC(C)C(=O)OC 1 3.728 0 8 0 -12.0227113596738 4214155 CN1C=CC=C1C(=O)NP(=O)(N(C)C)N(C)C 1 -0.283 4 2 0 -4.99043636080761 4214141 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl)N4CCCCC4 1 5.402 4 4 0 -6.2664374435618 4214097 CC1=CC=C(C=C1)C(=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C 1 2.728 3 3 -21.282209368937 4214093 CCCC1=CC(=O)N=C(N1)SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4 1 4.338 4 3 0 -18.9475733502774 4214088 COC1=CC=C(C=C1)CCNC(=O)CN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43 1 2.327 4 4 0 -12.2987224886444 4214036 CC1=CC(=O)N=C(N1)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.507 5 4 0 -9.50741695078582 4214017 CN(C)CC(COC(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)O 1 4.203 1 2 -1.44302540675513 4213966 CC(C(=O)NN=CC1=CC2=C(C=C1)OCO2)OC3=CC=CC4=C3N=CC=C4 1 2.957 3 4 0 -11.2550499501902 4213810 CN(C)CC1=NC2=CC=CC=C2C(=O)N1CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 0.482 5 5 0 -23.9842418971194 4213677 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)C(=O)NCC5=CC6=C(C=C5)OCO6 1 1.411 5 5 0 -30.1004569030986 4213599 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.618 4 4 0 -29.5355198484822 4213523 CC1=CC=C(C=C1)OCC(CNCC2=CC=C(C=C2)F)O 1 3.18 1 2 0.779763108058639 4213516 CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)C2=NNC(=O)CC2 1 1.013 4 4 0 -18.9096553337628 4213400 COC1=CC=C(C=C1)CC(=O)OCC(=O)NCC2=CC=CC=C2Cl 1 3.011 1 4 -14.0398622128352 4213399 C1=CC=C(C(=C1)SCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)Cl 1 2.626 2 3 -13.2669724582069 4213364 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl 1 0.691 3 8 0 -25.8229654609727 4213359 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)S(=O)(=O)C5=CC=C(C=C5)Br 1 2.446 4 4 0 -27.0287330327267 4213349 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54 1 3.892 4 4 0 -3.77173655120824 4213321 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 2.778 2 4 -2.36473348719702 4213316 CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N(C)C(=O)CNC(=O)C 1 2.188 3 3 -13.2308852207205 4213222 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)F 1 2.31 2 5 0 -21.8649438548162 4213022 CC1=CC(=C(C=C1)OC)NC(=O)CC(=NNC(=O)CC2=CC=CC3=CC=CC=C32)C 1 3.368 3 3 -7.500283147191 4213000 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl 1 4.752 2 7 0 -13.1546285771815 4212960 C1COCCNCCOCCOCCOCCN1 1 -1.319 2 4 0 -6.6990627692077 4212936 CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3S(=O)(=O)C4=CC=CC=C4)C5=CC=CO5 1 4.906 3 4 0 -4.09623256827107 4212883 CCCCC(=O)NC(C1=CC(=C(C=C1)OCCC)OC)NC(=O)CCCC 1 4.347 2 4 -14.5721598502731 4212866 CC(C1CC2CCC1C2)NC(=O)COC(=O)C3=CC=C(C=C3)CO 1 2.382 1 4 -11.3916990086947 4212794 CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC(=C3)OC)OC)C 1 4.238 0 6 -6.05961439646983 4212713 CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)Cl 1 1.981 4 2 0 -1.54596259523136 4212647 CC1=CC=CC=C1NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4 1 3.555 2 3 -8.78426012448437 4212618 CC(C1=CC=CC=C1)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2C 1 2.126 3 4 0 -14.8745834292574 4212612 CCCC1=NOC(=N1)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.498 3 3 -1.71240745520551 4212568 COCCNC1=NC(=C(C(=N1)NCCO)[N+](=O)[O-])N 1 -1.2 6 4 0 -2.79785393025416 4212532 CC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 1.931 4 3 0 -14.0128460727498 4212523 CC(C)C1=CC=C(C=C1)NC(=O)C[N+]2=CN(C=C2)C3=C(C4=CC=CC=C4C3=O)[O-] 1 3.178 3 3 -2.64713386460922 4212475 CCCCCCCCCS(=O)(=O)NC1=NC=CC(=C1)C 1 4.225 2 2 -3.36977623572156 4212372 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5 1 4.834 4 3 0 -13.645489407939 4212315 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.84 3 5 0 -19.9303944767888 4212205 C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=NS(=O)(=O)C3=CC=C(C=C3)F)S2)C4=CC=CC=C4 1 4.465 3 4 0 -11.8674630169447 4212204 CCNC(=O)CC1C(=O)N(C(=O)N1CCC(C)C)C2=CC=C(C=C2)C 1 2.687 3 3 -21.3826825230254 4212047 CNC(=O)CN1C(=O)C2(CCC3=CC=CC=C32)NC1=O 1 0.318 3 3 0 -7.71643283978582 4212039 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NCC3=CC=CC=C3Cl 1 0.914 5 5 0 -27.0927279989689 4212030 CC1=C(C2=C(N1)C=CC(=C2)OC)CCN3C(=O)OC(C3(C)O)(C)C 1 2.55 2 4 0.262938117362685 4211999 CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)NCCC2=CC=C(C=C2)Cl 1 2.248 2 4 -18.4790017311222 4211949 CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.519 2 8 0 -23.1691092835718 4211873 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)O 1 1.797 6 4 0 -26.6840553782552 4211836 CCOC(=O)C1CCCN(C1)C2=C(N=C(O2)C3=CC=C(C=C3)F)C#N 1 3.263 3 3 -5.18420361541789 4211783 COCCNS(=O)(=O)C1=CC=C(C=C1)C2CC(=O)NC2 1 -0.24 2 4 0 -12.4852578675934 4211735 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC3CCCCC3=O 1 1.861 1 6 0 -23.5926325975209 4211620 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 1.681 3 7 0 -16.0670323033846 4211507 C1CS(=O)(=O)CC1NC(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 0.203 2 6 0 -21.6831752018765 4211487 C1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N)Cl 1 2.25 3 7 0 -16.5398357532445 4211452 CN1C(=O)CC(SC1=NC2=CC(=CC(=C2)Cl)Cl)C(=O)O 1 3.282 2 3 -3.7397680539578 4211420 COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=CC=C3C(=O)O)C4=CC=C(C=C4)Br)OC 1 4.859 1 5 -18.2090723553498 4211343 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4 1 3.034 2 7 0 -14.0269519247803 4211264 CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=CO3 1 2.468 4 3 0 -16.9712900486117 4211224 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C 1 1.562 6 6 0 -32.0238644490351 4211121 CC(=NOCC(=O)NC1=NC2=CC=CC=C2S1)C3=CC(=C(C=C3)OC)OC 1 2.905 3 4 0 -6.47745748102229 4211075 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCC(=O)C3=CC=CS3)Cl 1 3.659 2 5 0 -14.7567469306436 4211052 COCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CO3 1 0.284 8 4 0 -26.0436608065089 4210992 C1=CC=C2C(=C1)N=CN2CC(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 1.789 4 5 0 -12.4919147561891 4210929 CC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCOCC3 1 2.002 2 2 -0.807308673376772 4210889 CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(CCC4)C=C3 1 5.258 3 2 -22.4781344814123 4210848 C1CCC2=C(C1)C3=C(C(=C(C=C3O2)Br)O)CNCC4=CC=CC=C4 1 5.144 1 2 1.91513657178534 4210696 COC1=C(C(=CC(=C1)Br)C=NN(CCO)C2=NS(=O)(=O)C3=CC=CC=C32)OC 1 2.647 3 5 0 1.27833327855161 4210642 CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C)C3=CC=C(C=C3)C#N 1 2.779 6 1 0 -23.5939341967352 4210369 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)CCC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 3.5 2 6 0 -20.3937822385036 4210364 C1=CC=C(C=C1)C(C#N)C2=NNC(=O)C=C2 1 1.327 3 1 0 -7.47834841137981 4210363 CC1=NC=C(C(=N1)C2=CC=CC=C2)N=NC3=CC=CC=C3Cl 1 4.987 4 0 10.7971525919892 4210333 C1CC(OC1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)Cl 1 3.297 2 4 -13.6032493338568 4210319 CN(C(=S)NC1=CC=CC=C1F)C2(CCCCC2=O)C3=CC=CC=C3Cl 1 6.349 2 1 -4.31369672695643 4210257 C1CCC(CC1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CC=C4 1 3.171 8 2 0 -24.4411162831923 4210206 CC(C)CC(=O)NC1=NC(=O)C2=C(N1)CCCC2 1 1.976 3 2 0 -18.3888015122371 4210203 CC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=NC=C3 1 4.144 1 0 1.57027553554049 4210202 C1CC2=C(C3=CC=CC=C31)SC(=C2)C4=NNC(=S)O4 1 4.907 2 1 -4.63018097078136 4210200 C1CSC2=NC(=C(N21)C=NOCC3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4 1 5.841 3 1 1.86345502057681 4210054 COC1=CC=C(C=C1)NCC(=O)NN=CC2CCCCC2 1 2.681 3 2 -9.59524983537989 4209968 CC1=NC(=C(C(=N1)N)CC2=CC=C(C=C2)OC)N 1 1.55 4 1 0 -2.86732212719103 4209966 CC1=CC(=NC2=C1C(=NN2C)N3C=CC=C3)C 1 2.912 4 0 -2.89943573284208 4209901 CCS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)C 1 1.858 3 3 0 -12.7874228924304 4209877 CC1=CC(=C[N+](=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=CS4)C 1 4.903 4 2 -5.07652348978271 4209779 CSC1=C(C(=O)N(C(=C1)C2=CC=CC=C2)CC3=C(C=CC=C3Cl)Cl)C#N 1 4.628 2 1 -1.36412039039863 4209814 CC1=CC2=NC3=C(C=C2C=C1)C(=NN3CC(C)C)NC(=O)C4CCCO4 1 3.735 4 2 -13.4132424224956 4209676 C1CC(CN(C1)C(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.894 3 2 -5.22183095328398 4209654 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4Cl 1 2.664 3 3 -10.7193635435927 4209635 CC1=NC(=NN1C2=C(C=CC(=C2)Cl)Cl)C(=O)NC 1 2.271 4 1 -3.95116978862669 4209634 COC1=CC=C(C=C1)S(=O)(=O)C2=NC3=CC=CC=C3N=C2 1 2.919 2 3 -3.22214789085106 4209623 CC(C)N(C1=CC=CC=C1)C(=S)NC2CCCCC2 1 5.45 2 0 -8.76733937526096 4209608 COC1=CC(=CC(=C1OC)OC)C(=O)NC2(C(=O)N(C(=O)N2)CCCC3=CC=CC=C3)C(F)(F)F 1 3.613 3 6 0 -9.03392048424196 4209511 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NN=CC2CCC=CC2 1 3.828 2 2 -1.91920652213019 4209494 C1CSC2=NC(=O)C(=C(N21)O)C(C3=CC=C(C=C3)Cl)C4=C(N5CCSC5=NC4=O)O 1 3.849 4 4 0 -8.63261467370182 4209482 CC(=O)N1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br 1 0.816 4 4 0 -10.5287081252937 4209474 CC1(CC(CCO1)NCCC(C2=CC=CC=C2)C3=CC=CO3)C 1 3.037 1 2 -10.3609622408462 4209305 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C(C)(C)C 1 2.161 3 4 0 -23.0185573003242 4209258 CC1CCCCC1NC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC 1 3.65 3 2 -12.3347377971441 4209216 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=CC3=C2N=CC=C3)O 1 2.627 3 2 -0.244372927479263 4209060 COC1=C(C=C2C(=C1)C=C[NH+]=C2CC3=CC(=C(C=C3S(=O)(=O)[O-])OC)OC)OC 1 1.004 1 7 0 -4.31043073800613 4209016 CC(C1=CC=CC=C1)NC(=O)CN(C)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.593 3 2 -10.8219393605127 4208958 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2 1 0.24 2 7 0 -25.9091158266313 4208960 CN(C)C1=NC(=NC(=N1)OCC#N)OC 1 0.748 5 2 0 -8.79964425776734 4209003 CC1=CC=CC(=C1O)C2NC3=C(C(=C(S3)C)C)C(=O)N2 1 3.111 2 2 -6.5331189033906e-002 4209002 C1CN2C(N(C(=S)N2C1)C3=CC=CC=C3)C4=CC=C(C=C4)Br 1 4.945 3 0 -2.47039250356889 4208991 CCN1C2=CC=CC=C2SC1=C3C(=O)N(C(=C4C(=NN(C4=O)C5=CC=C(C=C5)Cl)C)S3)CC 1 5.149 4 2 0.26476037939198 4208858 CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCCCCC2 1 2.81 1 3 -10.4716182311416 4208851 CC1=C(SC=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.566 2 6 0 -27.0109517337832 4208847 CC1(CC2=C(C(=O)C1)C3(C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5Cl)C(=C(O2)N)C#N)C 1 3.439 3 3 -13.3317833723531 4208845 CC1=C(SC(=C1C(=O)OCC(=O)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3)NC(=O)C)C 1 1.58 2 6 0 -25.4363824270605 4208675 CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)N3CCOCC3 1 3.173 4 3 0 -3.85456288434983 4208651 CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=CC3=CC=CN3C 1 3.447 3 3 -2.80815617698356 4208425 CC1(CC1(Br)Br)C(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.936 3 4 0 -8.53381571685992 4208317 CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NCC4=CC=CO4 1 4.543 3 3 -20.6721256524839 4208316 CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)N 1 3.572 3 2 -12.9987715116126 4208289 CCOC1=CC=C(C=C1)NC(=S)NC(C)C(C2=CC=CC=C2)N3CCN(CC3)C 1 4.93 4 1 -7.73183937719659 4208276 CCC(C)N1C(CCC1=O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.321 3 2 -6.93471171911812 4208272 C1CC(=CC2=CC(=C(C#N)C#N)CCC21)N3CCOCC3 1 2.1 3 1 -3.29185896514234 4208269 CC1CN(CC(O1)C)C(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.098 2 3 -12.7386959238144 4208267 CC(=NNC(=O)C1=CC=C(C=C1)OC2C(OCCO2)OC3=CC=C(C=C3)C(=O)NN=C(C)C4=CC=NC=C4)C5=CC=NC=C5 1 2.768 6 6 0 -13.3379192706618 4208233 COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC3=NON=C32)OC 1 1.854 3 5 0 -6.87524254524467 4208180 CCN1C=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC)[N+](=O)[O-] 1 2.545 5 4 0 -7.81991927409764 4208156 CCN(CC)C1=CC=C(C=C1)C2C3CCCCC3(CCN2CC(=O)NC4=CC=CC=C4)O 1 4.123 3 2 -7.60785287960019 4208137 CCC1=CC=CC=C1NC(=O)CCC2=NC(=NO2)C3=CC=CS3 1 3.376 3 2 -13.2566597536469 4208060 CC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2 1 3.879 2 1 4.14695895877563 4208042 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4)S(=O)(=O)N(C)C 1 0.35 3 5 0 -13.1014481819955 4208027 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)SC(F)F 1 4.639 1 3 -10.6531218436583 4208013 C1CCC2=NS(=O)(=O)NC(N2CC1)C3=CC=C(C=C3)Cl 1 2.234 3 2 -3.0020707960975 4207963 COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCCOCCO)C4=CC=CC=C4 1 3.033 4 3 0 2.69691593676531 4207951 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)O 1 0.525 5 5 0 -21.2537363437665 4207788 C1CNC(=O)C(=C1C(=O)O)OCC2=CC(=C(C=C2)F)F 1 1.334 1 4 0 -5.80979368877736 4207769 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)O 1 3.823 3 5 0 -21.8621084053073 4207765 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2 1 1.52 2 5 0 -22.7939769069358 4207727 CC(=O)NC1=CC=C(C=C1)C=NNC(=O)CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.461 5 6 0 -17.464017600278 4207678 CC1=CC(=C(N1C2=CC=CC=C2F)C)C=NNC3=NC(=NC=C3[N+](=O)[O-])N 1 2.613 7 2 0 -1.46765118601064 4207677 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F)Cl 1 4.544 2 4 -11.2088155426782 4207605 C1CC12C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CN=CC=C5 1 -0.121 3 3 0 -9.34931156903575 4207518 CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.471 3 4 0 -18.6667916616869 4207510 CC1=C2C(=CC=C1)SC(=N2)NNC(=O)C3COC4=CC=CC=C4O3 1 2.884 3 3 0.56086378297565 4207476 CC(C)CC(=O)C1=CNC(=C1)C(=O)OC 1 2.185 1 3 -4.24169331323946 4207425 CC1=CC(=CC=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCOCC3 1 2.047 6 3 0 0.881761125188224 4207409 C1CN(CCN1CC(=O)NC2=CC=CC=C2Br)C3=CC=CC=N3 1 2.722 4 1 -3.84886432515955 4207389 CC1=CC=C(C=C1)CSCC2=CC=C(O2)C(=O)NC3CC3 1 3.619 1 2 -9.63136861819113 4207388 CC1=CC=C(C=C1)CSCC2=CC=C(O2)C(=O)NCCC(C)C 1 4.71 1 2 -14.0536145297255 4207384 CC1=CC=C(C=C1)CSCC2=CC=C(O2)C(=O)NC3CCCC3 1 4.531 1 2 -9.11776243802397 4207350 CCOCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=CC(=N2)Cl)Cl 1 4.709 1 5 -12.1544275353278 4207349 CCOC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC5=C(C=C4)C(=CC(=O)O5)C)OC)OC 1 7.183 2 6 0 -21.8318021677269 4207271 C1CN(CCN1CCC(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.742 3 3 -18.0526454237417 4207245 CC(C)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=NON=C32 1 1.058 4 4 0 -19.3235506873501 4207171 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4 1 3.964 4 3 0 -14.6990182116899 4207167 CCCCNC(=O)CON=C(C)C1=CC2=CC=CC=C2O1 1 2.659 2 3 -6.6235685214326 4207089 C1CCC(CC1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.678 2 5 0 -9.10249398523992 4207050 CN(C1=NS(=O)(=O)C2=CC=CC=C21)N=CC3=CC(=CC=C3)Br 1 3.219 3 2 -0.721985201523139 4207023 C1CN(CCN1C(=O)COC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.411 2 4 -19.3630930964786 4207021 C1CN(CCN1C(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.782 2 3 -16.7356996473589 4207020 C1CN(CCN1C(=O)C2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.782 2 3 -18.3447890296687 4206958 CC1=C(C=CC(=C1)OC(C)C(=O)NC2=CN=CC=C2)Cl 1 2.934 2 2 -7.92626762000329 4206907 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC 1 2.1 4 7 0 -18.5141087418165 4206837 COC1=CC(=CC(=C1OC)OC)C(=O)NN=C2CCS(=O)(=O)C3=C2C=C(C=C3)F 1 2.28 2 6 0 -8.87436376893897 4206672 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(O2)C3=COCCO3 1 0.32 3 7 0 -10.1144526514662 4206651 CCC1=CC=C(C=C1)C2(CC(=NN2C(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)O 1 4.312 3 4 0 -4.16456626314296 4206649 CC1=CC(=C(C=C1)N2C(=O)C3CC(=C4C5C=CC(C4C3C2=O)C6C5C(=O)N(C6=O)C7=C(C=C(C=C7)C)C)C8=CC=CC=C8)C 1 6.079 2 4 -0.964335932562434 4206493 COCCNC(=O)COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2OC)OC 1 1.201 2 8 0 -26.1880013418468 4206406 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 1.998 4 5 0 -28.3110523054698 4206253 CC1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.856 2 3 0 -16.1693360664507 4206235 CC(C)CCC(CCNCC1=CC(=C(C=C1)OC)OC)C2=CC=C(C=C2)OC 1 5.551 1 3 -6.21155727498096 4206215 CC1=CC=C(C=C1)C2(C(=C3NC4=CC=CC=C4N3C(=O)N2)C#N)C(F)(F)F 1 3.943 4 1 -5.8816691164319 4206203 CCC(C)NC(=O)CN1C(=C(C=C1C2=CC=CC=C2)C(=O)C)C 1 3.134 2 2 -15.7275432582246 4206200 CC1=CC(=CC(=C1)NC(=O)CN2C(=C(C=C2C3=CC=CC=C3)C(=O)C)C)C 1 4.433 2 2 -7.27197036724344 4206199 CC1=C(C=C(C=C1)NC(=O)CN2C(=C(C=C2C3=CC=CC=C3)C(=O)C)C)C 1 4.433 2 2 -7.13112118305348 4206162 CCCC1=CC(=O)N=C(N1)SCC(=O)N2CC3(CC2CC(C3)(C)C)C 1 3.255 3 2 -23.471474884418 4206056 C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.013 3 5 0 -11.1417239379067 4206052 CCN(CC)C(C1=CC=C(C=C1)C)C(=O)NC2CCCCC2 1 4.14 2 1 -7.74199494379048 4206033 COC1=C(C=C(C=C1)CCNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F)OC 1 2.777 1 6 0 -17.8221132840257 4206032 CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32)S(=O)(=O)N4CCCCC4 1 3.625 4 3 0 -18.8269518351293 4205834 C1=CC=C2C(=C1)C=CC=C2C=NNC3=CC(=CC=C3)[N+](=O)[O-] 1 4.251 3 2 2.0538515114634 4205813 CC1=CC(=NC(=N1)SCC(=O)OC)OC2=CC=CC=C2 1 3.203 2 3 -10.8887140002965 4205798 CC(=O)C1=CC=C(C=C1)NC(=O)C2CC2C3=CC=CC=C3 1 2.732 1 2 -6.59303519938499 4205741 C=CCSC1=NC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3)C(=O)N1 1 2.744 4 2 -18.740727577414 4205588 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NC3=CC(=CC=C3)OC)C 1 2.067 1 4 7.47527020083144 4205579 CCC1=CC(=C(C=C1)OC)C2=CSC(=N2)N 1 2.953 2 1 4.25638289878256 4205576 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)OC3=CC(=CC=C3)Cl 1 2.828 4 4 0 -14.0309432277366 4205562 C1=CC=C(C=C1)CC(CO)NC(=S)NC(=O)C2=CC=C(C=C2)F 1 3.511 2 2 -5.50893396188974 4205526 C1CN(C(=O)N1CC2=CC=C(C=C2)F)CC(=O)NCC3=CC=CS3 1 1.772 3 2 0 -16.2670237743431 4205522 C1CCC(C1)NC(=O)CN2CCN(C2=O)CC3=CC=C(C=C3)F 1 1.851 3 2 0 -11.4050028217634 4205496 CCCCSCCCNC(=O)NC1=CC(=C(C=C1)C)C 1 3.923 2 1 -10.8973275801456 4205458 C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O 1 2.886 1 4 -9.78491118393151 4205453 CC(=NNC1=C(C=C(C=C1)F)F)C2=CC=C(C=C2)N3CCOCC3 1 3.69 3 1 -1.21408689410585 4205450 CC(=O)NC1=CC=C(C=C1)NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4 1 2.303 4 4 0 -16.4136517399837 4205449 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CCOC(=O)C(=CN(CCC1=CC=CC=C1)CC(=O)OC)C(=O)OCC 1 2.3 1 6 0 -3.63170032647645 5461700 CCOC(=O)C(=CNC1=CC(=C(C=C1)O)C(=O)OC)C(=O)OCC 1 1.621 1 7 0 -2.91575534428396 5461698 CCCCCCN(C(C1=CC(=C(C=C1)OCC(=O)OC)C(=O)OC)C(=O)NCCCC)C(=O)CCCCCN2C(=C(C(NC2=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C 1 9.014 4 10 0 -37.646731716051 5461689 CCOC(=O)C1=C(N(C(=O)NC1C2=CC3=CC=CC=C3C4=CC=CC=C42)CCCC(=O)O)C 1 3.487 2 5 0 -20.2386287286303 5461688 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C(F)(F)F)CCCC(=O)O)C 1 2.612 2 5 0 -20.5332088892435 5461682 CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C 1 2.842 3 5 0 -21.482521766963 5461681 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4)C 1 4.232 3 8 0 -27.6208452651922 5461677 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)Br)C(=O)OCC(Br)(Br)Br 1 4.279 2 5 0 -21.9083002796657 5461673 CCCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3)C 1 4.166 2 4 -18.8616792031095 5461670 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC(Br)(Br)Br 1 3.425 3 7 0 -24.6744241897011 5461667 CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CCCCCC(=O)O)C 1 2.477 3 7 0 -26.954499599753 5461648 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)Br)C(=O)OC(C)(C)C 1 3.001 2 5 0 -23.2261521475086 5461643 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Br)CCCC(=O)NCC3=CC4=C(C=C3)OCO4)C 1 3.348 3 6 0 -31.011935466456 5461637 CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=C(C(=CC=C2)Cl)Cl)C(=O)OCC3=CC=CC=C3 1 5.146 2 5 0 -21.4597502526494 5461636 CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3 1 3.712 3 7 0 -25.8678322595405 5461634 CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4 1 5.336 2 5 0 -20.9035695322338 5461633 CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=CC=C2Cl)C(=O)OCC3=CC=CC=C3 1 4.482 2 5 0 -23.0384920890665 5461631 CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3 1 4.76 2 5 0 -20.1776675848509 5461629 CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3 1 3.712 3 7 0 -26.5662021860861 5461628 CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=C(C=C(C=C2)Cl)Cl)C(=O)OCC3=CC=CC=C3 1 5.146 2 5 0 -19.4631588683756 5461622 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)C(F)(F)F)C(=O)OC 1 2.264 2 5 0 -19.7838950208981 5461619 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=C(C(=CC=C2)Cl)Cl)C(=O)OC 1 2.65 2 5 0 -20.9685834621718 5461618 CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 1 3.817 2 5 0 -24.5188196184917 5461617 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OC 1 0.984 3 9 0 -25.3918680722506 5461607 CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3 1 4.566 2 5 0 -23.4080955266979 5461606 CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC3=CC=CC=C3C=C2)C(=O)OCC4=CC=CC=C4 1 4.726 2 5 0 -21.0571825855452 5461604 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2Cl)CCC(=O)O)C 1 2.013 2 5 0 -23.9127198060661 5461603 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])CCCCCC(=O)O)C 1 2.477 3 7 0 -26.3535238997321 5461602 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4 1 3.934 3 10 0 -32.573013442572 5461601 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCC4=CC=CC=C4 1 3.934 3 10 0 -33.7164513617003 5461600 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3C(=C(N(C(=O)N3)CCCC(=O)O)C)C(=O)OCC4=CC=CC=C4 1 4.526 2 8 0 -30.6669122495485 5461599 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4 1 2.673 2 7 0 -25.0613093109175 5461598 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3 1 2.888 2 6 0 -23.9852073968932 5461597 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3 1 2.799 3 7 0 -25.7376819237414 5461596 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC(=CC=C2)OC)C(=O)OCC3=CC=CC=C3 1 2.888 2 6 0 -21.7594666044418 5461595 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)C#N)C(=O)OCC3=CC=CC=C3 1 2.784 3 5 0 -26.2690232860548 5461594 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4 1 4.423 2 5 0 -20.7734191964347 5461593 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2Cl)C(=O)OCC3=CC=CC=C3 1 3.569 2 5 0 -22.9083417532674 5461592 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3 1 3.569 2 5 0 -21.8212854457973 5461591 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC3=CC=CC=C3C=C2)C(=O)OCC4=CC=CC=C4 1 3.813 2 5 0 -20.9270322497461 5461590 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4 1 3.813 2 5 0 -20.7702988723426 5461589 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 1 2.905 2 5 0 -24.3886692826926 5461585 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)C(=O)O)C 1 2.727 3 7 0 -20.7925886391937 5461582 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Br)CCCCCC(=O)O)C 1 3.331 2 5 0 -23.8937871668895 5461581 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2Cl)CCCCCC(=O)O)C 1 3.247 2 5 0 -23.3557707322458 5461579 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CS2)CCCC(=O)O)C 1 1.517 2 5 0 -23.7235517580582 5461578 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC 1 2.351 3 10 0 -32.1409782174058 5461577 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC 1 2.351 3 10 0 -33.2844161365342 5461575 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC3=C(C=C2)OCO3)C(=O)OC 1 1.089 2 7 0 -24.7976870827638 5461574 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)OC)C(=O)OC 1 1.305 2 6 0 -23.6238552684651 5461573 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CS2)C(=O)OC 1 1.168 2 5 0 -22.9742378897128 5461572 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC 1 1.216 3 7 0 -25.4740596955876 5461571 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC(=CC=C2)OC)C(=O)OC 1 1.305 2 6 0 -21.3007202494888 5461570 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)C#N)C(=O)OC 1 1.2 3 5 0 -26.005401057901 5461569 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC 1 2.84 2 5 0 -20.2167655062327 5461568 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)Br)C(=O)OC 1 2.07 2 5 0 -23.014322962745 5461567 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2Cl)C(=O)OC 1 1.986 2 5 0 -22.4763065281012 5461566 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)Cl)C(=O)OC 1 1.986 2 5 0 -21.5576632176435 5461564 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC3=CC=CC=C32)C(=O)OC 1 2.23 2 5 0 -20.3382636471764 5461561 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)OC)CCCC(=O)O)C 1 1.654 2 6 0 -24.4708990370849 5461560 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCCC(=O)O)C 1 2.7 3 10 0 -32.8902920857512 5461559 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CCCC(=O)O)C 1 2.7 3 10 0 -34.0337300048796 5461556 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C)CCCCCC(=O)O)C 1 4.204 2 8 0 -31.1143412285269 5461554 CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3 1 4.482 2 5 0 -21.9514357815964 5461551 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=C(C=C(C=C2)Cl)Cl)C(=O)OCC3=CC=CC=C3 1 4.234 2 5 0 -19.3330085325764 5461550 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OC(=O)C3=CC=CS3)C(=O)OCC4=CC=CC=C4 1 4.29 2 7 0 -28.404447507938 5461547 CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=C(C=C2)Cl)Cl)CCCC(=O)O)C 1 2.999 2 5 0 -19.8187001727681 5461545 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OC(=O)C3=CC=CS3)CCCC(=O)O)C 1 3.056 2 7 0 -28.7217261511172 5461543 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C)CCCC(=O)O)C 1 3.291 2 8 0 -30.9841908927278 5461542 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CS2)C(=O)OCC3=CC=CC=C3 1 2.752 2 5 0 -23.3352543443913 5461541 CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3 1 3.653 2 5 0 -23.2779451908987 5461539 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Cl)CCCCCC(=O)O)C 1 3.247 2 5 0 -22.4371274217881 5461536 CCC(CC)C1C(=C(N(C(=O)N1)CCCC(=O)O)C)C(=O)OCC 1 2.191 2 5 0 -18.6077653051641 5461535 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Br)CCCC(=O)O)C 1 2.419 2 5 0 -23.7636368310904 5461534 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Cl)CCCC(=O)O)C 1 2.335 2 5 0 -22.306977085989 5461533 CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC)CCCC(=O)O)C 1 1.654 2 6 0 -22.1477640181086 5461531 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CC1=C(C(NC(=O)N1CCCCCC(=O)OC)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 1 4.043 2 5 0 -26.9600204781975 5459621 CC1=C(C(NC(=O)N1CCCCCC(=O)OC)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4 1 5.561 2 5 0 -23.3447703919396 5459619 CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OCC3=CC=CC=C3 1 5.218 2 5 0 -21.1953003230719 5459617 CCCCNC(=O)C(C1=CC=C(C=C1)C2=CC=CC=C2)N(CCN3CCOCC3)C(=O)CCCCCN4C(=C(C(NC4=O)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)OCC6=CC=CC=C6)C 1 6.948 6 8 0 -33.0773119100281 5459614 CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=CC=C2C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4 1 5.336 2 5 0 -19.8494205801484 5459613 CCCCCCN(C(C1CCCCC1)C(=O)NCCCC)C(=O)CCCCCN2C(=C(C(NC2=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C 1 10.074 4 5 0 -29.7768519252607 5459612 CCCCCCN(C(C)C(=O)NCCCC)C(=O)CCCCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C 1 8.234 4 5 0 -29.6321909328829 5459611 CCCCCCN(C(C1=CC=CC(=C1)C(=O)OC)C(=O)NCCCC)C(=O)CCCCCN2C(=C(C(NC2=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C 1 9.324 4 7 0 -33.6027872149699 5459610 CCCCCCN(C(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)NCCCC)C(=O)CCCCCN3C(=C(C(NC3=O)C4=CC=C(C=C4)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)C 1 10.987 4 5 0 -30.0504573969008 5459609 CCCCCCN(C(C1=CC=C(C=C1)O)C(=O)NCCCC)C(=O)CCCCCN2C(=C(C(NC2=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C 1 9.226 4 6 0 -27.3442643435441 5459608 CCCCCCN(C(C1=CC=CC=C1)C(=O)NCCCC)C(=O)CCCCCN2C(=C(C(NC2=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C 1 9.468 4 5 0 -31.3328758221867 5459581 C[C@H](/C=C(/C(C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2)\F)C(=O)NCC3=CC(=C(C=C3)OC)OC 1 4.766 2 7 0 -17.6039897495935 5459580 C[C@H](/C=C(/C(C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2)\F)C(=O)NCC3=CC=C(C=C3)C4=CC=CC=C4 1 6.318 2 5 0 -10.1880170186367 5459548 CC(CC1=CC=CC=C1)C(=O)NCC2=CC=NC=C2 1 2.424 2 1 -6.29663931677233 5459532 CC(CC1=CC=CC=C1)C(=O)NCC2=CC(=C(C=C2)OC)O 1 3.316 1 3 -2.92014886791109 5459531 CC(CC1=CC=CC=C1)C(=O)N(C)CC2=CN=CC=C2 1 2.63 2 1 -3.07415826846295 5459530 CC(CC1=CC=CC=C1)C(=O)NCC2=NC3=CC=CC=C3S2 1 3.852 2 1 -4.17867487281535 5459529 CC1=NN(N=C1CNC(=O)C(C)CC2=CC=CC=C2)C3=CC=CC=C3 1 3.649 4 1 -5.1598100064756 5459528 CC1=CC(=NN1C)CNC(=O)C(C)CC2=CC=CC=C2 1 2.585 3 1 -11.8780290198474 5459527 C[C@H](/C=C(\C)/C(C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2)C(=O)NCC3=CC(=C(C=C3)OC)OC 1 5.303 2 7 0 -18.2526926983144 5459526 C[C@H](/C=C(\C)/C(C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C4=CC=CC=C4 1 6.854 2 5 0 -10.8367199673577 5459524 CC(CC1=CC=CC=C1)C(=O)N[C@H](CC2=CC=CC=C2)CO 1 3.385 1 2 -4.40525026435829 5459522 CC(CC1=CC=CC=C1)C(=O)NCCO 1 1.452 1 2 0 -6.36649608479799 5459521 CC(CC1=CC=CC=C1)C(=O)N(C)CC2=CC=CC=C2 1 3.78 1 1 -2.27030887300181 5459520 CC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C 1 2.154 2 1 -2.97052886344913 5459455 C1CCN(CC1)C2CCN(CC2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-] 1 2.721 3 4 0 -3.11123387958988 5459433 CC1=C2CCOC2=NC3=CC=CC=C13 1 3.099 1 1 2.17791431722013 5459431 COC1=CC=C(C=C1)NC(=O)CCCCC#CC2=CC=CC=C2 1 4.592 1 2 -4.74385962227679 5459426 C1=CC=C(C=C1)C2=C3C4=CC=CC=C4NC3=NC5=CC=CC=C52 1 5.227 2 0 1.8971107208861 5459424 C1=CC=C(C(=C1)C#CCCCCO)N 1 2.302 1 1 2.36400397723923 5459423 CCCCC#CC1=CC=CC=C1CC(=O)NC2=CC=CC=C2 1 5.094 1 1 -4.03825613949451 5459422 COC1=CC2=C(C3=C(CCC3)N=C2C=C1)C4=CC=CC=C4 1 4.582 1 1 4.55236219656272 5459110 C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-] Br- 1 -0.531 1 4 0 -10.1882644301833 5458965 CC1=CC(=C(C=C1)N/N=C/2\C(=O)C3=CC=CC=C3NC2=O)S(=O)(=O)N(C)C 1 2.009 4 4 0 -11.2798073529506 5458213 C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\NN5CCN(CC5)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C 1 1.388 4 12 0 -13.817361684268 5458181 C[C@@H]([C@H](C1=NC=C(C=C1)O)O)[C@H](C(=O)N[C@H]([C@H]2[C@@H]([C@@H]([C@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N 1 -5.894 5 10 0 -19.3743340821503 5458180 C(CNCCNCCN)N.Cl Cl- 1 -2.272 4 0 0 -1.06195076539139 5458178 C[C@@H]1[C@@H](O1)P(=O)([O-])[O-].[Ca+2] Ca+2 1 -2.496 0 4 0 -3.4753232644252 5458174 CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)O)O 1 3.425 0 5 -11.9220912275712 5458173 C(CN(CC(=O)[O-])CC(=O)[O-])N(CCO)CC(=O)[O-].[Na+] Na+ 1 -6.059 2 7 0 -1.74503505668707 5458169 CCCCC[C@@H](/C=C/[C@@H]1[C@H](C[C@@H]2[C@H]1C/C(=C\CCCC(=O)OC)/O2)O)O 1 3.12 0 5 -10.5880476167369 5458168 [Li+].C(=O)([O-])[O-] Li+ 1 -1.965 0 3 0 -2.43823940259684 5458165 C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.[Na+] Na+ 1 -3.557 4 8 0 -19.0962014689674 5458038 C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)NNC=C4C=CC(=O)C=C4 1 2.576 5 2 0 1.82993010355445 5457940 C=CCC1=CC=C/C(=C\NNC(=O)CNC2=CC=CC3=CC=CC=C32)/C1=O 1 2.543 3 2 -9.42665815854758 5457427 CC1=CC(=NN1)C(=O)NNC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C 1 2.746 4 2 -4.29629684762077 5457371 CC(=C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NN/C=C/3\C(=O)C=CC4=CC=CC=C43 1 3.379 4 3 0 -19.8866031210656 5457290 C1=CC=C(C=C1)CN/C=C/2\C=C(C=C(C2=O)Br)Br 1 2.733 1 1 -2.27427763855037 5457268 CNC(=S)NN/C=C/1\C=C(C=C(C1=O)Br)Br 1 1.46 3 1 0 -5.69333957713213 5457261 CCOC(=O)C1=C(NC(=C(C1=C2C=CC(=O)C(=C2)OC)C(=O)OCC)C)C 1 1.405 1 6 0 -10.4059937579311 5457242 C1COCCN1C2=CC=C(C=C2)N/C=C/3\C=C(C=C(C3=O)Cl)Cl 1 2.686 2 2 -1.67585094476746 5457058 C1=CC=C(C=C1)C(=O)NN2C(=O)/C(=C/3\C4=CC=CC=C4NC3=O)/SC2=S 1 2.795 3 3 -15.0471125612508 5456955 C1=CC2=C(C=CC=N2)C(=C1)N/C=C/3\C=C(C=C(C3=O)Br)Br 1 3.191 2 1 -0.936739451089969 5456796 C=CCN1C(=O)/C(=C/C2=CSC=C2)/SC1=S 1 3.326 1 1 -12.4818888413762 5456770 CC1=NC2=CC=CC=C2C(=O)N1N/C=C/3\C=C(C=C(C3=O)Br)Br 1 1.909 3 2 0 -4.96811724650606 5456670 C=C1CC(C1)C(=O)NNC=C2C=CC(=O)C=C2 1 0.612 2 2 0 -2.19210385218307 5456435 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NN/C=C\3/C=CC(=O)C(=C3)OC 1 1.463 3 5 0 -8.69885848165183 5456292 C/C(=C(\C(=O)NC1=CC=CC=C1OC)/N=O)/NO 1 0.752 3 4 0 -5.88210084009886 5455978 C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 5.231 2 1 -6.21291103940341 5455972 CC1=NC2=C(C=C1)C(=C(C(=S)N2)CC3=CC=CC=C3)Cl 1 4.598 2 0 -2.44686417110663 5455971 CC1=NC2=C(C=C1)C(=O)C(=C(N2)O)CC3=CC=CC=C3 1 3.258 2 2 -2.83526448439388 5455970 CC1=NC2=C(C=C1)C(=O)C(=C(N2)O)C 1 1.77 2 2 0 -1.26965356339602 5456155 COC1=CC=C(C=C1)C2=CN=C3C(=N2)C(=O)N=CN3 1 1.347 4 2 0 1.8671238384915 5455881 CCN1C(=O)/C(=C\C2=CC=NC=C2)/SC1=NC3=CC(=C(C=C3)C)C 1 4.155 3 1 -1.74227786598856 5455800 C1COCCN1C(=O)CN2C(=O)/C(=C\C3=CNC4=CC=CC=C43)/SC2=O 1 1.395 3 4 0 -6.57264771559169 5455789 CN1C(=O)/C(=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)/NC1=S 1 3.233 2 4 -5.05183871870786 5455734 C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)NNC=C4C=C(C(=O)C(=C4)Cl)Cl 1 3.247 2 3 2.36986672077397 5455675 C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)NN/C=C\4/C=CC(=O)C(=C4)Br 1 2.963 2 3 0.701907539553362 5455628 COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CS3)/NC2=S 1 3.549 2 2 -2.94749079829481 5455502 C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C(=O)/C(=C\C4=CNC5=CC=CC=C54)/SC3=O 1 2.846 3 5 0 -5.79276125032473 5455427 CC(C)N1C(=O)/C(=C\C2=CNC3=CC=CC=C32)/SC1=NC4=CC=CC=C4 1 5.005 3 1 1.51185519597298 5455426 CCN1C(=O)/C(=C\C2=CNC3=CC=CC=C32)/SC1=NC4=CC=C(C=C4)C 1 5.113 3 1 1.7694107463043 5455413 CCN1C(=O)/C(=C\C2=CNC3=CC=CC=C32)/SC1=NC4=CC=CC=C4 1 4.627 3 1 0.904894276367217 5455343 CN1C(=O)/C(=C/2\C3=CC=CC=C3NC2=O)/SC1=NC4=CC=C(C=C4)Cl 1 3.564 3 2 -4.81163728383731 5455271 CC(C)OC(=O)CN1C(=O)/C(=C\C2=CC=C(O2)N3CCCCC3)/SC1=O 1 3.18 2 5 0 -5.92931132043567 5455188 CC(=O)NC1=C(C=C(C(=C1)Cl)N/C=C/2\C=CC(=O)C=C2O)Cl 1 2.01 2 3 -4.15729300030227 5455181 CC1=C(C(=NN1)C)SC2=CC=CC=C2N/C=C/3\C=C(C=C(C3=O)[N+](=O)[O-])Cl 1 3.2 4 3 0 -1.29262074561516 5455166 CC1=CC=C(C=C1)NC2=NC(=O)/C(=C/C3=C(NC4=CC=CC=C43)C)/S2 1 4.704 3 1 -4.16847471342191 5455094 CC1=C(C=C(C=C1)N2C(=O)/C(=C\NNC3=CC=C(C=C3)OC)/C(=O)NC2=O)C 1 2.617 4 4 0 -9.24493873034663e-002 5454774 C=CCN1C(=NN=C1SCC(=O)NN/C=C/2\C=C(C=CC2=O)Cl)COC3=CC=CC=C3 1 2.257 5 3 0 -17.9149604773573 5454683 CC1=CC=C/C(=C\NC2=C3C=CC=C4C3=C(CC4)C=C2)/C1=O 1 4.054 1 1 -2.1082687226991 5454386 CC1=CC(=NO1)N/C=C\2/C3=C(C=CC2=O)C=C(C=C3)Br 1 2.564 2 2 -6.61015774366095 5454293 CN1C(=CC(=O)N(C1=O)C)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl 1 2.662 3 3 -10.5342196309542 5454162 COC1=CC=C(C=C1)C(=O)NN/C=C/2\C=C3C=CC=CC3=NC2=S 1 2.196 3 2 -6.21636495282051 5454076 C1=CC2=NN(N=C2C=C1)CC(=O)NN/C=C/3\C=C(C=C(C3=O)[N+](=O)[O-])Cl 1 0.735 6 4 0 -6.06046508861545 5454002 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NN/C=C/3\C=C(C=CC3=O)Br 1 1.041 3 3 0 -15.7676853980762 5453994 CC\1=NN(C(=O)/C1=C\NC2=CC=C(C=C2)S(=O)(=O)N(C)C)C3=CC=CC=C3 1 1.492 4 3 0 -9.83794908380752 5453958 C1=CC=C(C(=C1)C(=O)NN/C=C\2/C=CC(=O)C(=C2)[N+](=O)[O-])N3C=CC=C3 1 1.625 4 4 0 -6.62733931309456 5453945 CCOC1=CC(=C/C(=C\NNC(=O)C2=C(ON=C2C3=CC=CC=C3)C)/C1=O)[N+](=O)[O-] 1 1.332 4 6 0 -9.21245030525615 5453935 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN/C=C\3/C=CC(=O)C(=C3)[N+](=O)[O-] 1 1.295 4 5 0 -7.65826322524913 5453929 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC=C3C=C(C(=O)C(=C3)Br)Br 1 2.458 3 3 -4.76142533800834 5453802 CC1=CC(=C(C=C1)O)N/C=C/2\C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3 1 4.02 2 4 -0.29447554015243 5453744 CC1=CC(=C/C(=C\NC2=CC=C(C=C2)N3CCOCC3)/C1=O)Br 1 2.848 2 2 -2.81136511472734 5453601 CC1=NC=CN1CCCN2C(=O)/C(=C/C3=CC=C(C=C3)C#N)/NC2=S 1 1.98 5 1 0 -5.6411580755404 5453599 COC1=CC=C(C=C1)N2C(=N)C(=C3N=C4C=CC=CC4=N3)C=C(N2)C(=O)C5=CC=CS5 1 3.41 5 2 0 -6.49037963488102 5453598 CC1=CC=CC=C1N2C(=N)C(=C3N=C4C=CC=CC4=N3)C=C(N2)C(=O)C5=CC=CS5 1 3.913 5 1 -6.16695019024949 5453597 C1=CC2=NC(=C3C=C(NN(C3=N)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CS5)N=C2C=C1 1 4.091 5 1 -4.25541473515006 5453596 C1=CC=C(C=C1)N2C(=N)C(=C3N=C4C=CC=CC4=N3)C=C(N2)C(=O)C5=CC=CS5 1 3.427 5 1 -6.43611084740389 5453595 CC1=CC(=CC=C1)N2C(=N)C(=C3N=C4C=CC=CC4=N3)C=C(N2)C(=O)C5=CC=CO5 1 3.355 5 2 0 -4.21079896416731 5453593 C1=CC=C(C=C1)N2C(=N)C(=C3N=C4C=CC=CC4=N3)C=C(N2)C(=O)C5=CC=CO5 1 2.868 5 2 0 -4.8808072022748 5453528 COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 5.024 3 2 -4.64659036956375 5453526 CN1C(=O)/C(=C/C2=C/C(=N/NC3=CC=CC=C3)/C=CC2=O)/SC1=S 1 3.724 3 2 -6.91063602363963 5453524 CC1=CC=CC=C1N2C(=O)C3=CC4=C(CC(OC4)(C)C)N=C3NC2=S 1 3.724 3 2 -12.7790052011438 5453478 C/C(=C\1/C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)/NC5CC5 1 3.824 4 1 -4.54572452564036 5453475 CC\1=NN(C(=O)/C1=C(/C)\NCC2=CC=CO2)C3=NC4=CC=CC=C4S3 1 2.425 4 2 -6.04956803944597 5453431 CC(C)N1C(=O)/C(=C\NC2=C(C=CC(=C2)[N+](=O)[O-])OC)/C(=O)N(C1=O)CCC3=CC=CC=C3 1 3.126 4 6 0 -10.6228272624853 5453389 CCN1C(=O)C(=CNC2=C(C=CC(=C2)Cl)Cl)C(=O)N(C1=O)CC 1 2.643 3 3 -4.17899277751742 5453385 CC/C(=C/1\C(=O)OC(=N1)C2=CC=CO2)/NCC3=CC(=C(C=C3)Cl)Cl 1 4.144 2 3 -3.01433544112523 5453382 CC(C)N1C(=O)/C(=C\NC2=CC=C(C=C2)Br)/C(=O)N(C1=O)CC3=CC=CO3 1 2.857 3 4 0 -8.9324242603655 5453314 CC1=C(C2=CC=CC=C2N1)/C=C/3\C(=O)N(C(=O)S3)CC(=O)N4CCCC4 1 2.313 3 3 -8.20037811943376 5453303 CC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])N 1 1.505 4 4 0 -10.6652179245773 5453287 CCN1C(=O)/C(=C\C2=CC(=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-])OC)/SC1=O 1 3.323 3 6 0 -8.29771841990353 5453283 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)/C(=C\C3=CC(=CC(=C3O)Br)Br)/S2 1 5.095 2 4 4.44821444855531 5453254 CCN1C(=O)/C(=C\C2=CN(C3=CC=CC=C32)C)/SC1=O 1 2.996 2 2 0.336412774894543 5452996 CCN1C2=C(C=C(C=C2)C3=NNC(=O)CC3)/C(=C/NN=C4CCCCC4)/C1=O 1 1.29 5 2 0 -11.9633097555008 5452980 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)NC3=CC=C(C=C3)Cl)C)C 1 4.274 2 1 7.01446798079386 5452789 C1=CC=C2C(=C1)NC(=N2)/C=C/3\C(=O)N(C(=S)S3)C4=CC=C(C=C4)F 1 4.751 3 1 -1.24526253414782 5452397 CC\1=NN(C(=O)/C1=C\NC2=CC=C(C=C2)S(=O)(=O)N(C)C)C3=CC=C(C=C3)F 1 1.698 4 3 0 -8.86476886320003 5452341 CC1=NN=C(C(=O)N1N/C=C/2\C(=O)C=CC3=CC=CC=C32)C4=CC=CC=C4 1 2.249 4 2 0.70021458568243 5452340 C1=CC=C2C(=C1)/C(=C/3\C(=O)N(C(=S)S3)NC(=O)C4=CN=CC=C4)/C(=O)N2 1 1.645 4 3 0 -16.1636070334488 5452265 C/C(=C\C=C(C#N)C#N)/C1=CC(=C(O1)N)C#N 1 1.582 4 1 0 6.37531269899699e-002 5452237 CC1=CC=C(C=C1)OCC(=O)NC2=C/C(=C/3\NC4=CC=CC=C4O3)/C(=O)C=C2 1 3.321 2 4 -7.88584104018072 5451740 CCOC(=O)C1=C(OC2=C1/C(=C/NN3CCOCC3)/C(=O)C4=CC=CC=C42)C 1 1.43 2 5 0 -6.58213729426782 5451739 CCOC(=O)C1=C(OC2=C1/C(=C/NN3CCN(CC3)C)/C(=O)C4=CC=CC=C42)C 1 1.7 3 4 0 -2.47036500324271 5451737 CCOC(=O)C1=C(OC2=C1/C(=C/NCC3=CC=CC=N3)/C(=O)C4=CC=CC=C42)C 1 2.748 2 4 -8.14083125209119 5450844 C1=CC=C2C(=C1)/C(=C\3/NC(=CS3)C4=CC=C(C=C4)Br)/C=N2 1 3.863 2 0 -1.50983356755951 5450842 CC1=C(C=C(C=C1)C(=O)CSC2=NC(=O)C3=C(N2)N=C(C=C3C)C)C 1 4.416 3 2 -10.0509456840335 5450733 C1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4Cl)O 1 4.279 1 3 7.55314962821168 5450441 CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NNC(=C3)C(=O)NNC=C4C=CC(=O)C=C4 1 2.343 6 2 0 -2.00207626459433 5450350 COC1=CC=C/C(=C\NNC(=O)C2=C3CCC4=CC=CC=C4C3=NN2)/C1=O 1 1.977 4 3 0 -3.30337134861078 5449889 C1COCCN1CC2=C3C(=CC(=C2O)Cl)C(=CC(=O)O3)C4=CC=CC=C4 1 3.562 1 4 3.68962439882146 5449762 CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)N/C=C\3/C=CC(=O)C(=C3)OC)C 1 1.381 3 5 0 -13.060010043365 5449399 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC=C3C=CC(=O)C=C3 1 1.224 5 2 0 -12.6863634692419 5449388 CCC1=C/C(=C/2\C(=CN=C(N2)N)C3=CC=C(C=C3)Br)/C(=O)C=C1OC 1 2.621 3 2 -1.67455594756499 5449384 COC1=CC(=O)/C(=C\2/C(=C(NC(=N2)N)C(F)(F)F)C3=CSC=N3)/C=C1 1 1.026 4 2 0 -5.74893263973109 5449018 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NN/C=C/3\C=C(C=CC3=O)Br 1 1.493 3 4 0 -18.9579067181792 5448941 CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)NCC3=CC=CS3 1 1.821 4 2 0 -21.0739488863998 5448688 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NNC=C2C=CC(=O)C=C2 1 1.949 2 2 0 0.535349306021984 5448674 CN1C(=C2C=C(C(=O)C(=C2)OC)OC)NN=C1SCC3=CN=CC=C3 1 1.247 4 3 0 -10.4831773602087 5448673 CC1=CC(=NO1)NC(=O)CSC2=NNC(=C3C=C(C(=O)C(=C3)OC)OC)N2C 1 0.589 5 5 0 -22.3220133256841 5448671 CN1C(=C2C=C(C(=O)C(=C2)OC)OC)NN=C1SCC(=O)NC3CCCC3 1 1.276 4 4 0 -16.2925586863196 5448166 CC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(C=C2)F)/NC(=O)C3=CC=CO3 1 2.912 2 4 -17.1206960663569 5448161 COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(C=C2)F)/NC(=O)C3=CC=CO3 1 3.155 2 4 -13.8189797447044 5448138 C1COCCN1C(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3 1 1.178 3 6 0 -21.0925306812235 5448137 C1=CC(=CC(=C1)NC(=O)/C(=C\C2=CC=C(C=C2)F)/NC(=O)C3=CC=CO3)C(=O)O 1 2.801 2 5 0 -15.4091301834865 5448134 C1=CC=C(C(=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NC3=CC=CC(=C3)C(=O)O)Cl 1 3.26 2 5 0 -15.8304455870601 5448126 C1=CC=C(C=C1)C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2CC4=CC=CO4 1 3.459 3 3 -11.2670191417391 5447857 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)N/C=C/3\C=C(C=C(C3=O)Br)Br 1 3.184 2 3 -5.24713377518992 5447486 COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CO3 1 2.903 2 4 -14.9151883324224 5447485 COC1=CC=CC=C1NC(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CO3 1 2.903 2 4 -17.9046750225051 5447484 CC1=CC=CC=C1NC(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CO3 1 3.406 2 3 -16.9376530509421 5447473 CCOC1=CC=CC=C1N2C(=C3C=CC(=O)C=C3)NN=C2SCC(=O)N4CCCC4 1 3.074 4 3 0 -18.2005445575264 5447163 C1=COC(=C1)CN2C(=C3C=CC(=O)C=C3)NN=C2SCC(=O)C4=CC=CS4 1 3.412 3 3 -14.6864444335747 5447109 CCN1/C(=C\2/C=C3C=CC=CC3=CC2=O)/NN=C1SCC(=O)N(C(C)C)C(C)C 1 3.049 4 2 -17.4142426819816 5447087 CN1/C(=C\2/C=C3C=CC=CC3=CC2=O)/NN=C1SCC(=O)NCC4=CC5=C(C=C4)OCO5 1 2.394 4 4 0 -21.6570618580896 5447064 CCOC(=O)C1=C(SC(=C1C)C(=O)C)N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 3.658 1 4 -10.7465316656822 5447048 COC1=CC(=CNNC(=O)CC2=CC=C(C=C2)Br)C=C(C1=O)OC 1 1.165 2 4 0 -1.43498983140041 5447037 CCN1C2=CC=CC=C2C(=O)/C(=C\3/NC4=CC=CC=C4S(=O)(=O)N3)/C1=O 1 1.851 3 4 0 -7.53180986457332 5446982 CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)C3=CC=C(C=C3)C(C)C)C 1 4.638 3 2 -9.35323004000085 5446980 CCN(CC)C(=O)C1=CC=C(C=C1)C2=C3C=CC=CC3=C(NN2)N=C4C=CC(=O)C=C4 1 2.69 4 2 -11.293830866687 5446860 CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)NC3=CC=C(C=C3)C 1 2.909 4 2 -14.4451777124816 5446809 CC(=O)NC1=CC=C(C=C1)C(=O)NN/C=C/2\C=C(C=C(C2=O)Br)Br 1 1.032 3 3 0 -6.53113221075382 5446513 CC1=CC(=CC(=C1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)NCC4=CC=CO4)/C#N)C 1 4.218 4 3 0 -24.6613390725242 5446512 CC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)NCC4=CC=CO4)/C#N)C 1 4.218 4 3 0 -24.5204898883342 5446456 CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53 1 4.458 4 2 -12.7487423568761 5446328 COC1=CC(=C/C(=C\NNC(=O)CC2=CC=CC=C2)/C1=O)Br 1 1.182 2 3 0 -3.43921255463134 5446327 CC1=CC=C(C=C1)N2/C(=C/3\C=CC=CC3=O)/NN=C2SCC4=NC(=O)C5=CC=CC=C5N4 1 4.016 5 2 0 -14.4980293391668 5446229 CC(=O)OC1=CC=C(C=C1)/C=C(/C(=O)NCC2=CC=CC=C2)\NC(=O)C3=CC=CO3 1 2.741 2 5 0 -19.6038418265272 5446221 C1=CC=C2C(=C1)C(=CN2CC(=O)O)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F 1 2.833 3 5 0 -4.87902269898625 5446044 COC1=CC(=C2NC(=C(N2)C3=CC=CS3)C4=CC=CC=C4)C=C(C1=O)OC 1 2.504 2 3 -2.28150088610228 5446034 C1=CC=C(C=C1)CNC(=O)/C(=C\C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N 1 2.909 3 3 -16.1640075853431 5446021 CC1=NC2=C(C=CC=C2OC)C(=C1)SCC(=O)NN/C=C/3\C=CC(=O)C=C3O 1 1.315 3 4 0 -5.81869591558579 5446018 CC1=NC2=C(C=CC=C2OC)C(=C1)SCC(=O)NN/C=C\3/C=CC(=O)C(=C3)O 1 1.315 3 4 0 -5.496888750094 5446001 CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)NN/C=C/3\C=CC(=O)C=C3O 1 1.315 3 4 0 -4.26784926904643 5445998 CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)NN/C=C\3/C=CC(=O)C(=C3)O 1 1.315 3 4 0 -3.94604210355463 5445922 CC1=CC(=NC2=CC=CC=C12)SCC(=O)NN/C=C/3\C=CC(=O)C=C3O 1 2.074 3 3 -3.30572473073757 5445919 CC1=CC(=NC2=CC=CC=C12)SCC(=O)NN/C=C\3/C=CC(=O)C(=C3)O 1 2.074 3 3 -2.98391756524578 5445833 COC1=CC2=C(CCC3=C2N=C(S3)N/C=C\4/C=CC(=O)C(=C4)OC)C=C1 1 2.713 2 3 6.35081547065696 5445832 COC1=CC2=C(CCC3=C2N=C(S3)N/C=C/4\C(=O)C=CC5=CC=CC=C54)C=C1 1 4.076 2 2 5.51582511727366 5445821 COC1=CC=CC(=C1)C(=O)/C=C/NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC 1 3.302 4 6 0 -15.4142426834635 5445403 CN1C=CC=C1C2=NNC(=C2)C(=O)NN/C=C/3\C=C(C=CC3=O)Br 1 1.732 5 2 0 -8.74130365409944 5445400 CCOC1=CC=C/C(=C\NNC(=O)C2=CC(=NN2)C3=CC=CN3C)/C1=O 1 1.316 5 3 0 -10.6383313600041 5444280 CC(C)(C)C1=CC(=C/C(=C\NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C1=O)Br 1 2.714 3 4 0 -5.33944165583969 5444174 C1COCCN1C2=CC=C(C=C2)N/C=C/3\C=C(C=C(C3=O)Br)Cl 1 2.77 2 2 -0.945926377326901 5443792 COC1=CC(=CNNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C=C(C1=O)OC 1 2.515 3 4 0 -3.11177825534307 5443790 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN/C=C\4/C=CC(=O)C(=C4)O 1 2.602 3 3 -4.92704391399113 5443777 C1=CC=C(C(=C1)NC(=O)CSC2=NNC(=C3C=CC(=O)C=C3)O2)Br 1 3.264 3 3 -13.1244569399888 5443724 C1=C(C=C(C2=NC(=O)C(=C21)NNC(=O)N)Br)Br 1 0.146 4 2 0 -6.40188393626408 5443722 C1=C(C=C(C2=NC(=O)C(=C21)NNC(=S)N)Br)Br 1 1.137 4 1 0 -6.0353014397755 5443674 C1CCC(CC1)NC(=O)/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)Br)/C#N 1 5.156 2 2 -10.3179929099105 5443591 CCOC(=O)/C(=C\C1=CC(=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)C)C)OC)/C#N 1 3.917 2 5 0 -19.3147486615521 5443693 C1=COC(=C1)CNC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=C(O3)Br 1 2.118 2 5 0 -19.4962432711864 5443384 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NCC2=CC=CC=N2 1 2.104 2 4 -10.9827680093077 5443199 CC1=NN(C(=C1C2=CC=CC=C2)NC=C3C=CC(=O)C=C3)C4=CC=CC=C4 1 4.251 3 1 1.29013091284145 5443198 CC1=NN(C(=C1C2=CC=CC=C2)N/C=C/3\C=CC=CC3=O)C4=CC=CC=C4 1 4.251 3 1 -1.75609440909763 5443072 C/C(=C\1/C(=C2C=C(C=CC2=NC1=O)Br)C3=CC=CC=C3)/NN 1 2.227 3 1 -2.93788630610842 5443011 CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 3.952 3 4 0 -17.4784998691246 5442665 COC1=CC=C(C=C1)/C=C(/C(=O)NCC2=CN=CC=C2)\NC(=O)C3=CC=CC=C3 1 2.411 3 3 -20.8438247503467 5442639 CN1CCN(CC1)C(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=CS4 1 1.879 3 4 0 -16.9979776742687 5442636 CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CS3 1 3.905 3 4 0 -17.5573356091131 5442631 COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CS3 1 2.357 3 3 -16.4752567474233 5442623 CC1=CC=CC(=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)N3CCCCCC3 1 3.455 2 3 -16.6952735383267 5442616 CC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CO3 1 2.706 2 4 -18.1019111354313 5442611 COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CO3 1 2.95 2 4 -14.8001948137788 5442607 C1=CC=C(C=C1)CNC(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3 1 2.868 3 5 0 -19.5509703121882 5442548 CC1=CC(=C2C(=C1)N/C(=C\3/C=CC(=CC3=O)NC(=O)C4=CC=NC=C4)/O2)C 1 2.821 3 3 -7.66747938163336 5442523 CC1=CC(=CC=C1)N2C(=O)/C(=C\NC34CN5CN(C3)CN(C4)C5)/C(=O)NC2=O 1 0.323 6 3 0 -4.32312393167751 5442517 CC1=C(C(=CC=C1)C)OC(=O)CSC2=NN/C(=C\3/C=CC=CC3=O)/O2 1 4.135 2 4 -13.3624031240673 5442378 COC1=CC=C(C=C1)N2CC3=C(C2)C=C(C=C3)C(=O)NN/C=C/4\C=CC(=O)C=C4O 1 1.952 3 4 0 -6.04843390013983 5442180 COC1=CC=C(C=C1)CC(=O)NN/C=C/2\C=C(C=C(C2=O)Br)[N+](=O)[O-] 1 1.22 3 5 0 -3.72287645678703 5442100 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=NC=C2)/C(=O)NC3=CC=C(C=C3)O 1 2.178 3 3 -13.6904780527663 5442096 COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=NC=C2)/NC(=O)C3=CC=CC=C3 1 2.404 3 3 -15.9833183730496 5441926 CC1=C(SC(=C1C#N)N)C(=O)NN/C=C\2/C=CC(=O)C(=C2)Br 1 1.156 4 2 0 -3.45617142334572 5441906 CC1=C2C(=NN=C(C2=C(N1N/C=C/3\C=C(C=CC3=O)Br)C)C)C 1 1.697 4 1 0 -3.44892221819665 5441807 CC1=CC=CC=C1NC(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CC=C3 1 4.011 2 2 -18.2748833421715 5441806 CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CC=C3 1 4.011 2 2 -15.7684336440201 5441803 C1=CC(=CC(=C1)Br)NC(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CO3 1 2.564 3 3 -13.7099679019392 5441796 CC(=O)C1=CC(=CC=C1)NC(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC(=C(C=C3)OC)OC 1 2.127 3 5 0 -22.9568051653407 5441735 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)NCC3=CC=CO3 1 2.095 3 3 -20.1218136741759 5441728 C1COCCN1C(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CS3 1 2.59 2 3 -19.2697473364094 5441615 COC1=CC=C(C=C1)CC(=O)NNC=C2C=C(C(=O)C(=C2)Br)Br 1 1.93 2 3 0 -2.26321881226359 5441576 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C\C3=CC=CC=C3)/NC(=O)C4=CC=CC=C4 1 2.664 4 3 0 -26.9310198957296 5441368 CC1=CC=CC=C1C(=O)/C(=N/NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)/C#N 1 2.395 5 2 0 -13.0090790283081 5441384 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC=C(C=C3)OC 1 2.916 4 4 0 -10.569266143494 5441374 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/N=C(\C#N)/C(=O)C3=CC=C(C=C3)Cl 1 2.573 5 2 0 -10.5060324760433 5441232 CC\1=NN(C(=O)/C1=C/NN2C(=NC3=CC=CC=C3C2=O)C)C4=CC(=CC=C4)Cl 1 1.944 5 2 0 -4.53482591816413 5441218 CC\1=NN(C(=O)/C1=C\NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CN=C3OC)C4=CC=C(C=C4)Cl 1 2.288 6 4 0 -10.8537234712275 5441182 CC\1=NN(C(=O)/C1=C\NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CN=C3OC)C4=CC=CC=C4 1 1.624 6 4 0 -12.9370253569566 5441153 CC1=CC=C/C(=C\NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C#N)/C1=O 1 4.02 3 1 -12.5941724265602 5441054 CC1(CC2=C(C(=O)C1)C(=C3C(=N2)NC(=O)NC3=O)C4=CC=C(C=C4)[N+](=O)[O-])C 1 2.352 4 5 0 -13.8711031328875 5441002 CCC1=CC2=C(S1)N3CC4=CC=CC=C4C(=C3NC2=O)C(=O)C5=CC=C(C=C5)C 1 5.35 2 2 -8.93364598334443 5440998 CC\1=NN(C(=O)/C1=C\C=C/2\C(C3=CC=CC=C3N2C)(C)C)C4=CC=CC=C4 1 4.029 3 1 7.81534259135218 5440961 CCOC(=O)C1=CC=C(C=C1)N/N=C\2/C(=NN(C2=O)C3=CC=CC=C3)C 1 3.028 4 3 0 -9.80239094389306 5440637 C1COCCN1C(=O)/C(=C/C2=CC=C(C=C2)Br)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.531 3 5 0 -20.8437087526197 5440634 COC1=CC=C(C=C1)/C=C(/C(=O)N2CCOCC2)\NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.766 3 6 0 -21.6220139072492 5440630 C1COCCN1C(=O)/C(=C/C2=CC=CC=C2Cl)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.447 3 5 0 -18.7495051208734 5440628 C1COCCN1C(=O)/C(=C/C2=CC=C(C=C2)Cl)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.447 3 5 0 -19.3870490075182 5440612 CC1CCN(CC1)C(=O)/C(=C\C2=CC=C(C=C2)OC)/NC(=O)C3=CC=CC=C3 1 3.353 2 3 -21.4440768415301 5440486 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)NCC3=CC=CC=C3Cl 1 3.092 3 2 -20.2960269946386 5440396 COC1=C/C(=C\NNC(=O)C2=CC=C(C=C2)N3CCCC3=O)/C(=O)C=C1 1 0.276 3 4 0 -14.2705804600891 5440387 COC1=C/C(=C\NNC(=O)C2=CC(=CC=C2)N3CCCC3=O)/C(=O)C=C1 1 0.276 3 4 0 -15.6200125495512 5440379 CC1=CC=C(C=C1)NC(=O)/C(=C\C=C\C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 4.525 2 2 -10.4684544611523 5440377 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NC3=CC=CC(=C3)C 1 3.939 2 3 -12.4921985162125 5440362 CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=N/NS(=O)(=O)C4=CC=C(C=C4)C)/C2=O 1 3.282 4 4 0 -7.34802417859485 5440280 CN1C2=C(C=C(C=C2)Br)/C(=N/NC(=O)CNC(=O)C3=CC=CC=C3)/C1=O 1 1.778 4 3 0 -10.1634576907908 5440186 C1COCCN1C(=O)/C(=C\C2=CC=C(C=C2)Cl)/NC(=O)C3=CC=CC=C3 1 2.552 2 3 -18.0882987876703 5440182 C1=CC=C(C=C1)CC(=O)NN/C=C/2\C=C(C=C(C2=O)Br)Br 1 1.947 2 2 0 -3.98661318648368 5440098 CCOC(=O)CSC1=NC(=O)/C(=C/C2=CC=C(C=C2)Br)/S1 1 4.212 1 3 -8.64466177003261 5440144 COC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)OC)/CN(C2)CC4=CC=CC=C4 1 5.458 1 3 2.56978506503035 5439935 CC\1=NN(C(=O)/C1=C\NC2=C(C=C(C=C2)SC#N)OC)C3=CC=C(C=C3)Cl 1 3.498 4 2 -4.31529294932361 5439929 CC\1=NN(C(=O)/C1=C\NC2=C(C=C(C=C2)SC#N)OC)C3=CC=CC4=CC=CC=C43 1 3.742 4 2 -3.9575963296707 5439923 CC1=CC(=C(C=C1)N2C(=O)/C(=C\NC3=NC4=C(S3)C=C(C=C4)OC)/C(=N2)C)C 1 3.485 4 2 4.68934551950126e-002 5439913 CC1=CC=C(C=C1)N2C(=O)/C(=C\NC3=C(C=C(C=C3)SC#N)OC)/C(=N2)C 1 3.32 4 2 -6.32558823424423 5439911 CC1=CC=C(C=C1)N2C(=O)/C(=C\NC3=NC4=C(S3)C=C(C=C4)OC)/C(=N2)C 1 2.998 4 2 -2.51909991053789 5439786 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/N=C(\C#N)/C(=O)C3=CC=CC=C3 1 1.908 5 2 0 -13.4167101961877 5439615 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)N/C=C/3\C=C(C=C(C3=O)Br)Cl 1 3.1 2 3 -4.09134861529985 5439529 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NC3=CC=CC(=C3)C(=O)O 1 2.596 2 5 0 -16.0024175959676 5439527 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NC3=CC=C(C=C3)C(=O)O 1 2.596 2 5 0 -16.4093795713791 5439507 C1=CC(=O)C=CC1=C2C=C(NO2)C(=O)O 1 -0.203 1 4 0 -3.22720205182564 5439290 C1=CC=C(C=C1)C2=NNC(=S)N2N/C=C/3\C=C(C=CC3=O)Br 1 2.523 4 1 -4.84332690414881 5439275 C1=CC2=C(C=C1N/C=C/3\C=C(C=C(C3=O)Br)Br)C=NN2 1 2.648 3 1 -2.52371302800405 5439231 CC1=CC(=CC=C1)N2C(=O)/C(=C\NC3=CC=C(C=C3)S(=O)(=O)NC)/C(=O)NC2=O 1 1.385 4 5 0 -9.63656824637115 5439230 CC1=CC(=CC=C1)N2C(=O)/C(=C\NC3=CC=C(C=C3)S(=O)(=O)N)/C(=O)NC2=O 1 1.179 4 5 0 -8.09143850231045 5439226 CC1=CC(=CC=C1)N2C(=O)/C(=C\NC3=NC=C(C=C3)Br)/C(=O)NC2=O 1 2.138 4 3 0 -2.70822613759461 5439221 C1=CC=C(C=C1)C2=NNC(=S)N2N/C=C/3\C=C(C(=O)C(=C3Br)O)Br 1 2.438 4 2 -2.55506519224692 5439217 C1=CC=C(C=C1)C2=NNC(=S)N2N/C=C/3\C=C(C(=C(C3=O)Br)O)Br 1 2.438 4 2 -3.28204659384629 5439215 C1=CC=C(C=C1)C2=NNC(=S)N2N/C=C\3/C=CC(=O)C(=C3)Br 1 2.523 4 1 -3.10557507337465 5439163 COC1=CC=C/C(=C/2\NC3=CC=CC=C3S2)/C1=O 1 2.757 1 2 -3.05460753916491 5439007 CCN1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4OC)O 1 2.988 2 4 3.63279018338321 5438903 CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)NCCC3=CC=CC=C3)C 1 3.152 4 2 -19.0094336702328 5438902 CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)NCC3=CC=CC=C3)C 1 2.831 4 2 -19.6009871820986 5438901 CCN(CC)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=C(N2)N=C(C=C3C)C 1 3.684 5 2 0 -19.8657808918407 5438900 CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)N(C)C)C 1 2.986 5 2 0 -17.5723950305821 5438899 CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3OC)C 1 2.808 4 3 0 -18.4428233995247 5438897 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=C(N2)N=C(C=C3C)C 1 3.31 4 2 -15.0994052463033 5438896 CC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C3=C(N2)N=C(C=C3C)C 1 3.31 4 2 -13.3515975971958 5438530 CCOC1=CC(=C/C(=C\NNC(=O)C2=CN=CC=C2)/C1=O)Br 1 0.345 3 3 0 -7.01188521693019 5438465 COC1=C/C(=C\2/NC3=CC=CC=C3N2CC4=CC(=C(C=C4)O)OC)/C=CC1=O 1 3.702 2 4 -0.395693186823329 5438376 CCN(CC)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3Cl)O 1 4.06 1 3 5.09278654468185 5438373 CN(C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=CC=C3)C(F)(F)F)O 1 3.87 1 3 11.1318535061698 5438319 CNC(=O)C1=C(C=CC(=C1)NC2=NNC(=C3C=CC(=O)C=C3)C4=CC=CC=C42)OC 1 1.954 4 3 0 -13.1343734875991 5438318 CC(=O)NC1=CC=C(C=C1)NC2=NNC(=C3C=CC(=O)C=C3)C4=CC=CC=C42 1 1.882 4 2 0 -9.08993520937314 5438298 COC1=C(C=C(C=C1)NC2=NNC(=C3C=CC(=O)C=C3)C4=CC=CC=C42)C(=O)N 1 1.748 4 3 0 -9.22578082818428 5438296 C1=CC=C2C(=C1)C(=C3C=CC(=O)C=C3)NN=C2NC4=CC=C(C=C4)OCC(=O)N 1 1.599 4 3 0 -9.76962315938402 5438294 CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NNC(=C3C=CC(=O)C=C3)C4=CC=CC=C42 1 2.873 4 2 -13.5366077457975 5438293 CN(C)C(=O)C1=CC=C(C=C1)NC2=NNC(=C3C=CC(=O)C=C3)C4=CC=CC=C42 1 2.176 4 2 -10.4392635191397 5438292 CNC(=O)C1=CC=C(C=C1)NC2=NNC(=C3C=CC(=O)C=C3)C4=CC=CC=C42 1 1.97 4 2 0 -11.6887781236144 5438291 C1=CC=C2C(=C1)C(=C3C=CC(=O)C=C3)NN=C2NC4=CC=C(C=C4)C(=O)N 1 1.764 4 2 0 -9.48939935393141 5438266 COC1=C(C=C(C=C1)/C(=C\2/C3=CC(=C(C=C3C=CN2)OC)OC)/N=O)OC 1 2.625 2 5 0 -7.9478989212575 5438264 CN1/C(=C\2/C=C3C=CC=CC3=CC2=O)/NN=C1SC 1 1.982 3 1 0 -7.8239669888527 5437800 CC1CCN(CC1)C(=O)/C(=C\C2=CC=CC=C2F)/NC(=O)C3=CC=CC=C3 1 3.575 2 2 -19.350650565443 5437799 CC1CCN(CC1)C(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=C(C=C3)C 1 3.251 2 3 -19.4648397899643 5437732 CCCC1=C/C(=C/2\C(=CN=C(N2)N)C3=CSC(=N3)C)/C(=O)C=C1OC 1 1.473 4 2 0 -3.71986865334928 5437712 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)NC3=CC=C(C=C3)Br 1 2.98 3 1 -6.98341324135049 5437356 CCN1C2=CC=CC=C2N=C1SCC(=O)NN/C=C\3/C=CC(=O)C(=C3)OC 1 1.7 4 3 0 -8.82225881958211 5437327 CC1=CC(=C(C=C1)N2C(=O)/C(=C\NC3=C(C=C(C=C3)SC#N)OC)/C(=N2)C)C 1 3.806 4 2 -3.75959486851132 5437015 C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC(=O)NNC=C3C=CC(=O)C=C3 1 0.706 5 3 0 -12.9680459119743 5437006 CC1=CC(=C(C=C1)N2C(=O)/C(=C\NC3=CC=C(C=C3)S(=O)(=O)NC)/C(=N2)C)C 1 2.259 4 3 0 -8.70360285862202 5436958 CC1=C(C2=C(C(=O)N=C2C=C1)NNC(=O)CCC3=CC=CC=C3)Br 1 2.505 3 2 -9.00694259979533 5436804 C1=CC=C(C(=C1)C(=O)NN/C=C/2\C=C(C=CC2=O)Br)Cl 1 2.124 2 2 -6.00123498988865 5436549 CN1C2=CC=CC=C2/C(=N/NC(=O)CN3C=NC4=C(C3=O)C5=C(S4)CCCC5)/C1=O 1 2.118 5 3 0 -18.6346883080982 5436347 CN1C2=CC=CC=C2/C(=C/NNC(=O)C3=CC4=CC=CC=C4C=C3O)/C1=O 1 1.852 3 3 0 1.58116999681839 5436342 C1=CC=C(C=C1)C(=O)CN2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C4=CC=CC=C4S2(=O)=O 1 2.988 1 5 -2.24114068095189 5436313 CN1CCN(CC1)C(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC(=CC=C3)Br 1 1.755 4 2 0 -15.3008464244549 5436058 C/C(=C/1\C(=O)OC(=N1)C2=CC=CO2)/NCC3=CC(=CC=C3)Cl 1 2.956 2 3 -2.08247505726502 5436013 CC1=C(SC(=C1C#N)N)C(=O)NN/C=C\2/C=C(C(=O)C(=C2)Br)OC 1 0.843 4 3 0 -0.1896649226536 5435980 C1=CC=C(C=C1)C(=O)C2=C3C4=CC=CC=C4C(=O)C5=C3C(=CC=C5)NC2=O 1 3.669 1 3 -8.5588311779497 5435973 C1COCCN1C2=CC=C(C=C2)N/C=C/3\C=C(C=C(C3=O)Br)[N+](=O)[O-] 1 2.144 3 4 0 -2.23982350315578 5435919 CCN(CC)CCN1C2=CC=CC=C2N=C1N/C=C/3\C=C(C=CC3=O)Br 1 3.179 4 1 -5.35141615811445 5435871 CN(C)/C=C/C=C1C(=O)CCCC1=O 1 0.715 1 2 0 -1.16182509569782 5435866 CCOC1=C/C(=C/NNC(=O)NN/C=C\2/C=CC(=O)C(=C2)OCC)/C=CC1=O 1 -0.62 4 5 0 -3.68312834352613 5435553 C1=CC(=CC(=C1)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CS3)C(F)(F)F 1 3.862 2 3 -10.1672434739175 5435552 C1=COC(=C1)CNC(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CS3 1 2.667 2 3 -19.2871578522824 5435493 CCOC1=CC=C(C=C1)N/C(=C\2/C(=O)C3=CC=CC=C3N(C2=O)C)/C4=NNN=N4 1 2.195 6 3 0 -3.69578485317922 5435419 CCOC(=O)/C(=N\NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)/C(=O)C3=CC=CC=C3 1 2.234 4 4 0 -14.6541178445908 5435417 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/N=C(\C(=O)C3=CC=CC=C3)/C(=O)NC4=CC=CC=C4 1 2.814 5 3 0 -16.2101938336742 5435348 C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)N/C=C/3\C=CC=C(C3=O)Cl 1 4.033 2 1 1.771079904379 5435232 CC\1=NN(C(=O)/C1=C\NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC)C4=CC=CC=C4 1 2.651 6 5 0 -18.6761529697974 5435179 CC1=NC(=C(C(=C1)COC)C#N)OCC(=O)NNC=C2C=CC(=O)C=C2 1 0.196 4 4 0 -10.5149976202355 5435171 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC=C3C=CC(=O)C=C3)Br 1 2.539 3 3 -5.30467872707167 5435114 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NN/C=C\3/C=CC(=O)C(=C3)Br 1 2.73 3 3 -8.87764537398101 5435078 CC1=CC(=C(C(=C1)C)N/C(=C\2/C(=O)C3=CC=CC=C3N(C2=O)C)/C4=NNN=N4)C 1 3.321 6 2 0 -3.36754423880615 5434413 COC1=CC(=CNNC(=O)C2=CSC3=C2CCCC3)C=C(C1=O)OC 1 1.427 2 4 0 -3.72107370081769 5434287 C=CCN1C(=NN=C1SCC(=O)NN/C=C/2\C=CC=CC2=O)CNC3=CC=CC=C3 1 1.714 6 2 0 -20.6049582738693 5434263 CC1=CC=C(C=C1)NCC2=NN=C(N2CC=C)SCC(=O)NNC=C3C=CC(=O)C=C3 1 2.2 6 2 0 -17.7737097006256 5434230 CC1=CC=C(C=C1)NCC2=NN=C(N2CC=C)SCC(=O)NN/C=C/3\C=CC(=O)C=C3O 1 1.662 6 3 0 -18.6232133198915 5434227 C=CCN1C(=NN=C1SCC(=O)NN/C=C/2\C=CC(=O)C=C2O)CNC3=CC=CC=C3 1 1.176 6 3 0 -18.7798674582649 5434187 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NN/C=C\4/C=CC(=O)C(=C4)O 1 1.728 2 4 0 -4.72299450689403 5434181 CC1=CC=C(C=C1)OCC(=O)NN/C=C/2\C=NN=C2C3=CC(=C(C=C3)Cl)Cl 1 3.529 4 2 -3.2304671532786 5434177 CC1=CC(=CC=C1)OCC(=O)NN/C=C/2\C=NN=C2C3=CC(=C(C=C3)Cl)Cl 1 3.529 4 2 -2.27846226836145 5434146 COC1=CC(=CNNC(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43)C=C(C1=O)OC 1 1.886 2 5 0 2.2542341895053 5433812 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N/C=C\2/C(=C(C(=O)N(C2=O)C)C#N)C 1 1.199 4 4 0 -12.9650824627429 5433630 CC\1=NN(C(=O)/C1=C\NC2=CC=CC=C2C3=NNC(=NC3=O)SC)C4=CC5=CC=CC=C5C=C4 1 3.68 6 2 0 -11.2862674501306 5433627 C1=CC=C2C(=C1)C(=C3C=CC(=O)C=C3)NN(C2=O)C4=CC=CC(=C4)C(F)(F)F 1 3.65 2 2 0.760494202124191 5433620 CC\1=NN(C(=O)/C1=C\NC2=C(C=C(C=C2)Br)C3=NNC(=NC3=O)SC)C4=CC=CC=C4 1 3.52 6 2 0 -11.0336745776056 5433618 CC\1=NN(C(=O)/C1=C\NC2=CC=CC=C2C3=NNC(=NC3=O)SC)C4=CC=CC=C4 1 2.771 6 2 0 -12.6037677760173 5433603 CN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3F)OC)/NC1=S 1 3.792 2 3 -8.5086052894668 5433593 CC\1=NN(C(=O)/C1=C/NN2C(=NC3=CC=CC=C3C2=O)C)C4=CC=C(C=C4)Cl 1 1.944 5 2 0 -5.63721039326147 5433568 CCC1=CC=CC=C1N/C=C\2/C(=C(C3=NC4=CC=CC=C4N3C2=O)C#N)C 1 4.559 4 1 -5.3201008245299 5433560 C1OC2=C(O1)C=C(C=C2)C(=O)NN/C=C/3\C=C(C=C(C3=O)Cl)Br 1 1.596 2 4 0 -4.24839130849782 5433464 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NN/C=C/3\C=C(C=CC3=O)Cl)[N+](=O)[O-])Cl 1 2.325 5 5 0 -7.55527303563163 5433386 CCOC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C\C=C\C3=CC=CO3)/C(=N2)C 1 3.101 2 4 -2.90961258975896 5433263 CC/C(=C/1\C(=NN(C1=O)C2=CC=CC=C2)C)/NNC(=O)C3=CC=CC=C3O 1 2.078 4 3 0 -5.24676582448506 5433164 COC1=C(C=C(C=C1)C\2=NN=C/C2=C\NNS(=O)(=O)C3=CC=CC=C3)OC 1 1.549 4 4 0 -8.75364330142741 5430631 CC1=C(C(=NN1C)C)NC(=O)/C=C/C2=CC(=C(C=C2)OC)COC3=C(C=C(C=C3)Cl)Br 1 5.124 3 3 -3.08724161583758 5430616 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)/C=C/C3=CC4=C(C=C3)OCO4 1 3.773 2 3 -0.366642315388714 5430608 CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C)C(=O)O 1 4.355 2 4 -2.87350132979952 5430561 COC1=C(C=C(C=C1)C\2=NN=C/C2=C\NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC 1 1.74 5 5 0 -10.68830794811 5430559 COC1=C(C=C(C=C1)C\2=NN=C/C2=C\NNC(=O)C3=CC=CS3)OC 1 1.799 4 3 0 -9.15475373206791 5430556 COC1=C(C=C(C=C1)C\2=NN=C/C2=C\NNC(=O)C3=CC=C(O3)Br)OC 1 1.809 4 4 0 -8.54425978728844 5430495 C1=CC(=CC=C1C\2=NN=C/C2=C\NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl 1 2.437 5 3 0 -3.66535794222394 5430426 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5 1 2.745 5 1 -6.51506302860773 5430390 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NN/C=C/2\C=C(C=C(C2=O)Br)Br 1 2.162 3 3 -11.3337872639527 5430241 CN1CCN(CC1)C(=O)/C(=C\C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/NC(=O)C3=CC=CC=C3 1 2.019 4 6 0 -19.540106479964 5430230 CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)NNC(=O)C3=CC=C(C=C3)OC 1 1.315 5 4 0 -17.5842381472179 5429830 CC1=C(C=C(C=C1)N2C(=O)/C(=C\NC3=C(C=C(C=C3)SC#N)OC)/C(=N2)C)C 1 3.806 4 2 -7.27516981404229 5429492 CCO/C(=C/1\CC(=C(NC(=O)C1=O)C2=CC=CC=C2)OC3CCCCC3)/O 1 3.374 1 5 -3.81366736246242 5429530 CC1=C2C3=CC(=C(C=C3C(=C4C=CC(=O)C=C4)N=C2N(N1)C5=CC=CC=C5)OC)OC 1 3.098 3 3 -5.27715143175748 5429429 C1=CC=C2C(=C1)C=CC(=C2/C=C/3\C(=O)N(C(=O)N3)CC4=CC=C(C=C4)F)OCC5=CC=C(C=C5)C(=O)O 1 4.837 2 5 0 0.622306073565493 5429427 CCN1C(=O)C(=CNC2=CC=C(C=C2)N3CCOCC3)C(=O)N(C1=S)CC 1 2.064 4 3 0 -5.00518080406886 5429420 CCOC(=O)C1=C(SC2=C1CCCC2)N/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F 1 4.466 3 4 0 -14.0005568658138 5429234 C1CCCN(CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5N4)C(=O)O3)C=CC2=O 1 3.477 3 3 -6.36367301290545 5429143 CC1=C(C=CC(=C1)CCCC2=NN=C(O2)SCC(=O)NN/C=C\3/C=CC(=O)C(=C3)OC)OC 1 2.346 4 5 0 -13.7320612058754 5429127 CC(C)(C)OC(=O)COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O 1 3.516 0 6 -4.36788544466029 5428930 CCCC1=C/C(=C/2\C(=CNN2)C3=CC=C(O3)C(=O)OCC)/C(=O)C=C1O 1 1.79 2 5 0 -4.66129129846536 5428928 CC1=C(/C(=C/2\C=CC(=CC2=O)OC)/ON1)C3=CC=C(O3)C(=O)OC(C)C 1 1.886 1 6 0 -9.5721716888669 5428910 CC(C)OC(=O)COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O 1 3.311 0 6 -5.02825697484795 5428827 CC1(CC2=C(C(=O)C1)C(=C3C(=N2)NC(=O)NC3=O)C4=CC=C(C=C4)Br)C 1 3.206 3 3 -11.4113664000449 5428659 CC\1=C(C(=O)N(C(=O)/C1=C\NC2=CC=C(C=C2)NC(=O)C)CCC3=CC=CC=C3)C#N 1 2.41 4 3 0 -8.87132790874987 5428657 CC\1=C(C(=O)N(C(=O)/C1=C\NC2=CC=C(C=C2)F)CCC3=CC=CC=C3)C#N 1 3.495 3 2 -3.5838539543293 5428598 C/C(=C\C(=O)C1=CC=C(C=C1)Cl)/NCC2=CC3=C(C=C2)OCO3 1 3.718 1 3 -1.64821702718737 5428579 C1=CC=C2C(=C1)/C(=C/3\C(=O)NN(C3=O)C4=CC(=CC=C4)F)/C(=O)N2 1 1.372 3 3 0 -6.35001008089096 5428512 CC(C)(C)C1=CC(=C(N2CCCC2)S)C=C(C1=O)C(C)(C)C 1 5.004 1 1 -0.964896907880398 5428517 C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C(C=C3)O)OC2=O 1 2.409 1 4 -11.8967004912039 5428519 CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3 1 1.252 3 4 0 -10.8580815146844 5428522 CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NNC(=O)C3=CN=CC=C3 1 0.102 4 4 0 -12.0455947573701 5428525 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)OC)C)C(=C1)O 1 2.44 0 5 -7.25676231385377 5428528 CC1=C(C(=O)OC2=C1C=CC(=C2O)O)CC3=CC=CC=C3 1 3.796 0 4 -0.657855805467795 5428531 CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC3=CC=CC=C3 1 3.796 0 4 -2.47294245116461 5428557 C1CCCN(CC1)C(=C2C=CC(=O)C=C2)S 1 3.195 1 1 -0.888396173838608 5428548 C=CCN1C2=CC=CC=C2/C(=C\3/C4=CC=CC=C4NC3=O)/C1=O 1 2.468 2 2 -12.7859999532302 5428544 C/C(=C\C(=O)C1=CC=C(C=C1)OC)/NCC2=CC3=C(C=C2)OCO3 1 3.037 1 4 -3.88318192691833 5428505 C1=CC=C2C(=C1)C3=CC(=C(C=C3OC2=O)O)Cl 1 3.372 0 3 -1.58305329187063 5428502 COC1=CC(=C(N2CCCC2)S)C=C(C1=O)OC 1 1.658 1 3 0 0.299557389739655 5428487 CSC1=C(C(=C2C=CC(=O)C=C2)C3=C(N1)CCC3)C#N 1 2.536 2 1 -11.6524738231411 5428428 CC(=C1C=CC(=O)C=C1)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.05 2 2 -7.70920487669435 5428344 CN1C(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/NC1=S 1 2.552 2 3 -4.29119126899007 5427414 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)C3=CC=CS3 1 1.715 3 1 0 -6.68346277385132 5426790 CC1=C(C=CC2=C1OC(=C(C2=O)N3C(=O)C4=CC=CC=C4C3=O)C)O 1 2.459 1 5 2.5208347527643 5426670 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3.00857782220804 5425091 C1=C/C(=C\NC2=NC=NN2)/C(=O)C(=C1)Br 1 0.381 4 1 0 -5.28737764907873 5425074 CN1C2=CC=CC=C2/C(=C/NC3=C(C4=C(S3)CCCC4)C#N)/C1=O 1 3.326 3 1 -13.0048238697377 5425073 CC\1=NN(C(=O)/C1=C\C2=CN(C3=CC=CC=C32)C)C4=CC=CC=C4 1 3.534 3 1 -1.42998352198272 5424934 C1=CC=C(C=C1)C2=N/C(=C\NC3=NC=CS3)/C(=O)O2 1 1.179 3 2 0 -9.09198280203704 5424963 CC1=CC2=C(C=C1)NC(=C2C)C(=O)NN/C=C/3\C=CC=CC3=O 1 2.564 3 2 0.450229733301748 5424890 CNC(=O)C1=CC=CC=C1N/C(=C/2\C(=O)C3=C(CCCC3)NC2=O)/O 1 1.588 3 4 0 -17.6848466263642 5424850 CCOC(=O)C1=C(SC2=C1CCC2)N/C=C/3\C=CC(=CC3=O)C 1 3.463 1 3 -14.8125829634229 5424835 CC1=CC(=C/C(=C\NNC(=O)C2=NNC(=C2)C)/C1=O)[N+](=O)[O-] 1 0.213 5 4 0 -6.18859414232348 5424799 CCN1C(=O)C(=CNNC(=O)C2=CC=CC=C2)C(=O)N(C1=S)CC 1 1.121 4 3 0 -5.6512019567044 5424796 C1COCCN1NC=C2C(=O)NC(=S)NC2=O 1 -1.42 4 3 0 -7.74065528722615 5424744 CCN1C2=CC=CC=C2/C(=N/NC(=O)CNC3=CC=CC(=C3)C)/C1=O 1 2.465 4 2 -5.95972988638615 5424706 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C1CC2=C(C1)SC(=C2C(=O)O)NC(=O)/C=C/C3=CC=CC=C3 1 3.425 1 3 -9.76542245565824 5424153 C[C@@H](C(=O)O)NC(=O)NC1=CC(=CC=C1)Br 1 1.66 2 3 0 -8.01923029120636 5424149 CC1=C(/C(=C/2\C=CC(=CC2=O)OC)/NN1)C3=CC=CC=C3OC 1 1.264 2 3 0 -6.75424191700326 5424125 C1CC2=CC=CC=C2N(C1)CC(=O)NN/C=C/3\C=CC(=O)C=C3O 1 1.013 3 3 0 -12.3278319666292 5424073 C[C@@H](C(=O)O)NC(=O)NCC1=CC=C(C=C1)F 1 1.124 2 3 0 -10.8252782008292 5424071 CC\1=C(C(=O)NC(=O)/C1=N\NC2=CC(=C(C=C2)Cl)C(=O)O)C#N 1 1.921 4 4 0 -10.6721836737993 5424068 CCOC1=CC=CC=C1C2=N/C(=C\3/C=C4C=CC(=CC4=NC3=O)C)/NO2 1 3.241 3 3 -6.82482592343809 5424039 CC1=CS/C(=C(/C#N)\N=O)/N1 1 0.572 3 1 0 -7.05971739801392 5423954 C1CC1N2C(=O)/C(=C/NCC3=CC=C(C=C3)F)/C(=O)NC2=S 1 1.734 3 2 0 -7.89483656583649 5423913 CCCC1=N/C(=C\2/C=C3C=CC(=CC3=NC2=O)C)/NO1 1 2.368 3 2 -4.77618404034383 5423889 COC1=C2C(=C(C=C1)C=O)NC3=C2N=CN=C3Cl 1 2.589 3 2 3.80661976997759 5423869 CC1=C(/C(=C/2\C=CC(=CC2=O)OC)/NN1)C3=CC=C(C=C3)Cl 1 1.944 2 2 0 -2.85815098557409 5423818 C1COC2=C(O1)C=CC(=C2)C(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 1.469 3 3 0 -6.10006932252157 5423793 C[C@@H](C(=O)OC)NC(=O)NC1CCN(CC1)CC2=CC=CC=C2 1 1.255 3 3 0 -9.47573309732118 5423779 CC1=CC=C(C=C1)N/C=C/2\C(=NN(C2=O)C3=NC4=CC=CC=C4N3)C 1 2.919 5 1 -3.86406485452719 5423762 CCCC1=N/C(=C\2/C=C3C=CC=CC3=NC2=O)/NO1 1 1.921 3 2 0 -4.63200344796154 5423754 C1N=C2NC3=CC=CC=C3N2CN1CC4=CC=CO4 1 1.846 4 1 0 -7.20747264898961 5423736 COC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CO3)/O2 1 2.222 0 6 -8.41595261646537 5423722 C[C@@H](C(=O)OC)NC(=O)NC1=CC=CC=C1C(=O)OC 1 0.992 2 5 0 -18.1336792654357 5423690 C1=CC=C2C(=C1)C(=CN2)/C=C\3/C(=O)N=C(S3)NC4=CC(=CC=C4)O 1 3.83 3 2 2.39742710818708 5423670 COC1=CC=C(C=C1)CN2CN=C3NC4=CC=CC=C4N3C2 1 2.648 4 1 -5.36051136701214 5423640 C1=CC(=CC(=C1)NN=C2C(=O)NC(=O)NC2=O)C(=O)O 1 0.283 4 5 0 -12.9601918398618 5423636 C/C(=C\1/C=C(C=CC1=O)Cl)/NO 1 0.862 1 2 0 -0.723215936287702 5423621 C1=CC=C(C=C1)/C=C/C(=O)C(=C2NC3=CC=CC=C3N2)C#N 1 3.577 3 1 -5.64367384699317 5423614 CC1=CC2=C/C(=C/3\NOC(=N3)CC(C)C)/C(=O)N=C2C=C1 1 2.62 3 2 -3.02147275412383 5423611 CC(=C)COC1=CC(=O)/C(=C\2/C(=CNN2)C3=CC=CC=C3)/C=C1 1 1.829 2 2 0 -5.5103530723205 5423607 CC1=CC2=C/C(=C/3\NOC(=N3)C4=CC=NC=C4)/C(=O)N=C2C=C1 1 1.758 4 2 0 -3.86203676018701 5423604 CC1=CC2=C/C(=C/3\NOC(=N3)C(C)C)/C(=O)N=C2C=C1 1 2.374 3 2 -4.31274174803848 5423576 CC1=CC(=NN1CC(=O)NN/C=C/2\C=CC(=O)C=C2O)[N+](=O)[O-] 1 -0.451 5 5 0 -12.4812830478536 5423549 CCC1=N/C(=C\2/C=C3C=CC(=CC3=NC2=O)C)/NO1 1 1.912 3 2 0 -5.11805849628758 5423540 C1C2=C(C=CC(=C2)NN=C3C(=O)NC(=O)NC3=O)C(=O)O1 1 0.262 4 5 0 -13.3714736970121 5423537 CC1=C(C=C(C=C1)Cl)NC(=O)N[C@@H](C)C(=O)O 1 2.062 2 3 -10.1804834517457 5423532 COC1=CC2=C/C(=C/3\NOC(=N3)C4=CC=C(C=C4)F)/C(=O)N=C2C=C1 1 2.356 3 3 -1.45383054236229 5423503 C1=CC=C(C(=C1)C(=O)O)NN=C2C(=O)NC(=O)NC2=O 1 0.283 4 5 0 -11.3191002316999 5423455 C1CC1N2C(=O)/C(=C/NCC3=CN=CC=C3)/C(=O)NC2=S 1 0.378 4 2 0 -11.129602991711 5423451 CC1=NC(=CS1)C\2=CNN/C2=C\3/C=CC(=CC3=O)OC 1 -8.9e-002 3 2 0 -3.40479839938389 5423449 CC1=N/C(=C\2/C=CC=CC2=O)/N(N1)S(=O)(=O)N(C)C 1 -0.721 4 3 0 -11.7256003496983 5423429 C1COCCN1CC2=CC(=O)OC3=C2C=CC(=C3O)O 1 1.137 1 5 0 -0.609321058904231 5423413 CC1=CC(=NN1CC(=O)NN/C=C/2\C=CC=CC2=O)[N+](=O)[O-] 1 8.7e-002 5 4 0 -14.306373863458 5423412 CCN1C2=CC=CC=C2/C(=N/NC(=O)CNC3=CC=C(C=C3)C)/C1=O 1 2.465 4 2 -8.58896758790988 5423382 C1=CC=C2C(=C1)N=CN2CCC(=O)NNC=C3C=CC(=O)C=C3 1 0.828 4 2 0 -8.162036902498 5423380 CC1=C(C(=NN1)C)CCC(=O)NN/C=C/2\C=CC=C(C2=O)OC 1 5.7e-002 4 3 0 -9.28829333888423 5423356 C1=CC=C2C(=C1)NC(=C(C#N)C(=O)C3=CC=C(C=C3)Cl)N2 1 3.783 3 1 -6.2497906328436 5423337 C1=CC=C2C(=C1)N=CN2CCC(=O)NNC3=C4C=CC=CC4=NC3=O 1 0.937 5 2 0 -12.7531362120507 5423332 CCOC1=CC=C/C(=C\NNC(=O)C2=NNC(=C2)C3CC3)/C1=O 1 0.819 4 3 0 -6.34231799006516 5423289 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C)/C(=O)O 1 2.443 1 4 -11.1939752744387 5423268 CC1=NC2=CC=CC=C2C(=O)N1N/C=C/3\C=CC4=CC=CC=C4C3=O 1 2.064 3 2 -5.31562718687501 5423235 C1=CC=C(C=C1)C\2=C(NN/C2=C\3/C=CC(=O)C=C3O)C(F)(F)F 1 1.713 2 2 0 -1.07863568563771 5423222 C[C@@H](C(=O)O)NC(=O)NCC1=CC(=CC=C1)OC 1 0.902 2 4 0 -11.9588825770441 5423215 CCCC1=N/C(=C\2/C=C3C=C(C=CC3=NC2=O)C)/NO1 1 2.368 3 2 -4.23204456903002 5423158 CN(C)CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=CC=C3OC)O 1 2.467 1 5 0.748847606745154 5423156 C1CC1N2C(=O)/C(=C/NNC3=CC=CC=C3)/C(=O)NC2=S 1 1.473 4 2 0 -2.82621765250956 5423137 C1CC1N2C(=O)/C(=C/NC3=CC4=C(C=C3)OCO4)/C(=O)NC2=S 1 1.568 3 4 0 -10.5193340076998 5423078 COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)Cl 1 2.83 3 1 5.985898384124 5423063 CCN(CC)CC1=C2C(=CC(=C1O)Cl)C(=C(C(=O)O2)C)C 1 3.986 1 3 0.670871101249778 5423040 CC1=C2C(=CC(=C1O)CN3CCCCC3)C4=CC=CC=C4C(=O)O2 1 4.185 1 3 1.96792813610756 5422833 CN(C)/C(=C/1\C=CC(=O)C(=C1)OC)/S 1 1.509 1 2 0 0.268848886208874 5422858 CC1=CC2=C(C=C1N)N=C3C(=N2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4 1 2.846 5 2 0 -1.80911760216717 5422824 C1CCC(CC1)N2C(=O)C3=NC4=C(C=C(C=C4)N)N=C3NC2=O 1 2.314 5 2 0 -2.41276556700617 5422815 CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CN(CC)CC 1 4.452 1 3 0.728813565893476 5422802 C1CCN(C1)C2=CC=CC=C2N/C=C/3\C=C(C=C(C3=O)Cl)Cl 1 3.46 2 1 -0.504521727735593 5422755 CC1=CC=NN1CC(=O)NN/C=C/2\C=C(C=C(C2=O)OC)[N+](=O)[O-] 1 -0.916 5 5 0 -13.74266828728 5422717 CC1=CC(=C/C(=C\NN2C(=NC3=CC=CC=C3C2=O)C)/C1=O)[N+](=O)[O-] 1 1.192 4 4 0 -6.66720372367133 5422691 C1CC1N2C(=O)/C(=C/NNC(=O)C3=CC=CC=C3)/C(=O)NC2=S 1 0.707 4 3 0 -8.91450443725981 5422645 COC1=CC=CC=C1C(=O)NNC2=NC(=O)/C(=C\C(=O)OC)/S2 1 1.356 3 5 0 -9.66568460171663 5422636 C1=CC=C(C(=C1)C2=C/C(=C/3\C=C(C=CC3=O)Br)/NN2)Cl 1 2.465 2 1 -0.307051472994552 5422632 CC1=C/C(=C\2/C=C(NN2)C3=CC=CC=C3F)/C(=O)C=C1 1 2 2 1 0 -2.42988375252083 5422554 CC1=C\2C3=C(C=C1)C(=CC(N3C(=O)/C2=N\NC(=S)N)(C)C)C 1 2.823 4 1 -6.0963177449232 5422425 C1=CC=C(C=C1)CCN2C(=O)C3=NC4=C(C=C(C=C4)N)N=C3NC2=O 1 2.36 5 2 0 -3.48532950107325e-002 5422415 COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)Cl 1 2.83 3 1 7.32300173675837 5422402 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=C3C=CC(=O)C=C3)S 1 4.115 2 1 7.85961042113421 5422324 CC1=C2C(=CC(=C1O)CN(C)C)C3=CC=CC=C3C(=O)O2 1 3.268 1 3 2.43105706657747 5422293 C1=CC2=C(C(=O)N=C2C=C1)NNC(=O)C3=NNC(=C3)C4=CC=CS4 1 1.751 5 2 0 -5.39517571167773 5422158 COC1=CC=C/C(=C\2/NC3=CC=CC=C3C(=N2)N4CCCC4)/C1=O 1 2.35 3 2 -5.39837574840581 5422140 CCCC1=CC(=O)OC2=C1C(=C(C(=C2)C)CN3CCCC3)O 1 4.037 1 3 -5.39771319715603e-002 5422068 C1CC1N2C(=O)/C(=C/NNC(=O)C3=CC=CC=C3O)/C(=O)NC2=S 1 0.465 4 4 0 -5.45023678808378 5422067 CN(C)CC1=C(C=CC2=C1OC(=O)C3=C2CCCCC3)O 1 3.621 1 3 5.05749515606544e-002 5422049 C1=CC=C2C(=C1)N=CN2N/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 1.262 4 3 0 -3.11187078216429 5421974 CC1=NN(C=C1)CC(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 -0.467 5 4 0 -13.4805489269711 5421935 CCC1=C(C2=C(C(=C(C=C2)O)CN3CCCC3)OC1=O)C 1 3.541 1 3 3.12851663203642 5421929 CCC1=C(C2=CC(=C(C(=C2OC1=O)CN3CCCC3)O)Cl)C 1 4.205 1 3 1.57793969975622 5421870 C1=CC=C(C=C1)C2=C3C(=CC(=N2)C(=O)NN)C4=CC=CC=C4N3 1 3.058 4 1 3.94380153621626 5421778 C1=CC(=CC=C1C2=C/C(=C/3\C=C(C=CC3=O)Br)/NN2)Cl 1 2.465 2 1 1.06140343986701 5421746 C1CC1N2C(=O)/C(=C\NN3CCOCC3)/C(=O)NC2=S 1 -0.724 4 3 0 -8.93513120553191 5421533 CC1=CC=CC=C1C(=O)NNC2=NC(=O)/C(=C\C(=O)OC)/S2 1 1.859 3 4 0 -10.7031485757195 5421497 C/C(=C/1\C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)/NCC3=CC=CO3 1 1.412 3 4 0 -9.29656653202313 5421461 CCC1=C(C2=C(C(=C(C=C2)O)CN(C)C)OC1=O)C 1 3.08 1 3 2.07679096716637 5421383 C1CCC2=C(C1)C(=O)/C(=C(\NC3=CC=CC=C3O)/O)/C(=O)N2 1 2.137 2 4 -6.39773034815541 5421352 C1=CC=C(C=C1)OCC2=NNC(=S)N2N/C=C/3\C=CC(=O)C=C3O 1 1.368 4 3 0 -6.02822649950839 5421279 C=CCC1=CC=C/C(=C\NNC(=O)C2=CC3=C(C=C2)N=CN3)/C1=O 1 1.49 4 2 0 -10.1918950733433 5421165 C1=CC=C2C(=C1)C(=O)/C(=C/NC3=CC=CC=N3)/S2 1 2.424 2 1 1.49635267408328 5421164 CCN(CCO)C1=CC=C(C=C1)N/C=C/2\C(=O)NC(=S)N(C2=O)C 1 1.282 4 3 0 -7.48948514171699 5421136 C/C(=C/1\C(=O)C2=CC=CC=C2S1)/NC3=CC=C(C=C3)OC 1 3.533 1 2 -0.784326421160773 5421118 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2 1 -0.529445649604557 5419031 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)NC=C4C=CC(=O)C=C4 1 3.54 3 1 2.36106168222953 5419028 CC1=CC(=NN1CCC(=O)NN/C=C/2\C=CC=CC2=O)C 1 0.184 4 2 0 -15.098699148627 5419022 COC1=CC=C/C(=C\N[C@@H](CO)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O)/C1=O 1 0.389 2 6 0 -5.52038391221182 5419018 CC1=CC2=C(C=C1N)N=C3C(=N2)C(=O)N(C(=O)N3)C4CCCCC4 1 2.8 5 2 0 -4.26246379118069 5418985 CN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)C3=CN=CC=C3)/C1=O 1 -0.121 5 3 0 -13.0118122392251 5418979 C1=CSC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F 1 2.812 2 3 -1.6694079614971 5418971 CCN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)C3=CC=CO3)/C1=O 1 0.774 4 4 0 -12.4003043136609 5418969 CC1=CC(=NN1CCC(=O)NN/C=C/2\C=CC(=O)C=C2O)C 1 -0.353 4 3 0 -13.2736083330226 5418960 C1CCC2=C(C1)C=C3C(=N2)NC(=S)N(C3=O)C4=CC=CC=C4 1 4.155 3 1 -7.21152295071318 5418858 C/C(=C/1\C(=O)C2=CC=CC=C2S1)/NC3=CC=CC=C3O 1 3.307 1 2 2.86182388204548 5418798 C1OC2=C(O1)C=C(C=C2)N/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 1.609 2 5 0 -6.66769698266162 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CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)OC 1 1.347 0 4 0 0.160281993411684 5416124 COC1=CC=CC=C1NN=C2C(=O)NC(=S)NC2=O 1 1.536 4 3 0 -9.78864446477149 5416088 CCOC(=O)C1=C(N/C(=C\NC2=CC=C(C=C2)OC)/C1=O)C 1 1.1 2 4 0 -14.163101675793 5416082 C1=CC=C2C(=C1)C=C/C(=C/N=O)/N2 1 1.745 2 1 0 -1.4935307086922 5416081 CN\1C2=CC=CC=C2C(=O)/C1=N\NC(=O)C3=CC=CC=C3 1 1.97 3 2 0 -2.8665096813652 5416033 CC1=CC(=C(C(=C1)C)N2C(=CC(=C2C)/C=C/3\C(=O)NC(=O)N3)C)C 1 3.362 3 2 -10.3138442034082 5416003 C/C(=C\C(=O)C1=CC=CC=C1)/NC2=CC3=C(C=C2)OCO3 1 3.325 1 3 -3.74377897522689 5415989 CCC1=N/C(=C\2/C=CC=CC2=O)/N(N1)C3=CC=CC=C3 1 2.994 3 1 -3.75330903307833 5415951 CCOC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)O)C 1 3.256 0 5 0.64624593005387 5415950 C1CN(CCN1CC2=CC=CC=C2)C(=C3C=CC(=O)C=C3)S 1 3.362 2 1 3.02000554335493 5415906 C1=COC(=C1)CNC(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CO3 1 2.108 2 4 -19.3379881239027 5415905 CC1=C(C=CC2=C1OC=C(C2=O)C3=NN=CN3C4=CC=CC=C4)O 1 2.664 3 3 4.74434149510061 5415903 CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=NN=CN3C4=CC=CC=C4 1 2.691 3 3 0.770559858208092 5415902 CC1=C(C=CC2=C1OC(=C(C2=O)C3=NN=CN3C4=CC=CC=C4)C)O 1 3.177 3 3 5.53794019426789 5415884 CCN1C(=O)/C(=C\NCC2=CC=CC=C2)/C(=O)NC1=S 1 1.388 3 2 0 -7.06080249892893 5415878 CCN1C(=O)/C(=C/C2=CC=C(C=C2)N3CCCC3)/NC1=S 1 3.008 3 1 -2.0667047274652 5415875 COC1=C/C(=C\2/CC(=NC3=CC=CC=C3N2)C4=CC=CS4)/C(=O)C=C1 1 3.416 2 2 -9.77094294607224 5415835 C1=COC(=C1)CN2C(=O)/C(=C\NCC3=CC=CS3)/C(=O)NC2=S 1 1.544 3 3 0 -9.65247970034335 5415757 C/C(=C\C(=O)C1=CC=C(C=C1)OC)/NC2=CC3=C(C=C2)OCO3 1 3.308 1 4 -3.36109761686168 5415620 C1=CSC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F 1 3.133 2 3 -2.09486568498178 5415582 CN1C(=O)/C(=C/C2=CC=CC=C2OCC3=CC(=CC=C3)F)/NC1=S 1 3.808 2 2 -0.741012356142337 5415554 CN1C(=O)/C(=C/C2=CC(=C(C=C2)O)OC)/NC1=S 1 1.777 2 3 0 -1.95407073257573 5415547 CN1C(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC(=CC=C3)F)/NC1=S 1 3.808 2 2 -1.72511574412309 5415544 CC1=CC=C(C=C1)C(=O)/C=C\NC2=CC=C(C=C2)C(=O)C 1 3.269 1 2 -2.56518134039499 5415540 CN1C(=O)/C(=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])/NC1=S 1 1.688 3 4 0 -0.822892293844198 5415536 CN1C(=O)/C(=C/C2=CC=CC=C2OCC3=CC=CC=C3)/NC1=S 1 3.603 2 2 -3.16251266215352 5415495 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)N/C=C/4\C=CC(=O)C=C4O 1 1.201 2 4 0 0.180189958063687 5415012 CC1=CC(=NN1)C(=O)NN/C=C/2\C=C(C=C(C2=O)[N+](=O)[O-])Cl 1 0.135 5 4 0 -5.93326502058245 5414974 COC1=CC=C(C=C1)N/C=C/C(=O)C2=CC(=C(C=C2)OC)OC 1 2.994 1 4 -5.28830516027428 5414932 COC1=CC(=O)/C(=C\2/C=C(NN2)C3=CC(=C(C=C3)OC)OC)/C=C1 1 1.003 2 4 0 -4.5632105442669 5414911 CC1=CC=C(C=C1)C2=C/C(=C/3\C=CC(=CC3=O)OC)/NN2 1 1.522 2 2 0 -0.537725235203129 5414904 COC1=CC(=O)/C(=C\2/C=C(NN2)C3=CC=CC=C3)/C=C1 1 1.036 2 2 0 -1.01224165151833 5414844 CC(C)(C)C\1=NC2=CC=CC=C2/C1=C/NO 1 2.282 2 1 -2.18039131374221 5414842 CC1=CC(=O)/C(=C\2/C=C(NO2)C3=CC=CC=C3)/C=C1 1 2.132 1 2 -2.44117251626523 5414819 CC1=C/C(=C\2/C=C(NO2)C3=CC=C(C=C3)F)/C(=O)C=C1 1 2.338 1 2 -1.32997624147643 5414809 CC(=C1C=CC(=O)C=C1)NNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.888 2 3 0 -3.57773114258208 5414770 C1=CC(=CC=C1CN2C(=O)/C(=C\C3=COC=C3)/C(=O)NC2=O)F 1 1.963 2 4 0 -5.41784537293299 5414760 C=CCN1C(=O)/C(=C\C2=CC=CN2)/C(=O)NC1=O 1 1.072 3 3 0 -6.97167727253619 5414752 CN1C(=O)/C(=C\C2=CC=CN2)/C(=O)NC1=O 1 0.455 3 3 0 -0.248333042076748 5414258 CC1=C(OC(=C1C#N)N/C=C/2\C(=O)C=CC3=CC=CC=C32)C 1 2.888 2 2 -2.31951258525547 5414229 CC1=CC=C(C=C1)S(=O)(=O)NN/C=C/2\C=C(C=CC2=O)OC 1 0.884 2 4 0 -5.21074634551345 5414161 CC(=O)N\1C2=CC=CC=C2C(=O)/C1=C/NC3=CC=C(C=C3)OC 1 1.803 2 3 0 -4.14771359642528 5413925 CC1=CC(=NN1)C(=O)N/N=C\2/C3=CC=CC=C3N(C2=O)C(C)C 1 1.714 5 2 0 -9.51544459723715 5413872 C1=CC2=C(C=C1Br)/C(=C/NNC(=O)C3=CC=NC=C3)/C=N2 1 1.281 4 1 0 -1.56357311265023 5413753 C=CCC1=CC=C/C(=C\NC2=C(C=CC=N2)O)/C1=O 1 2.214 2 2 -4.07269993359061 5413643 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)NC3=CC=CC=C3 1 2.232 3 1 -7.50540632520922 5413634 CN(C(=S)C1=CC=CC=C1)N/C=C/2\C=CC=CC2=O 1 2.234 2 1 -4.44082338650529 5413620 CC1=C2C(=C(C=C1)Cl)/C(=C\3/C(=O)NC(=S)N3)/C(=O)N2 1 1.895 3 2 0 -10.4486025084473 5413612 C1CCN(CC1)N/C=C\2/C3=CC=CC=C3NC2=O 1 0.777 3 1 0 -5.23058316954796 5413567 CC/C(=C/1\C=CC(=O)C(=C1)OC)/NO 1 0.705 1 3 0 -0.469670519583262 5413335 CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)C3=CC=CC=C3 1 2.694 3 2 -9.8718620710655 5413327 CN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=CC=CC=C3 1 3.021 3 1 -11.1263592662005 5413321 C1COCCN1C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)O2 1 0.833 3 4 0 -14.6284709919142 5413301 C1=COC(=C1)CN2C(=C3C=CC(=O)C=C3)NN=C2SCC(=O)N 1 1.057 4 3 0 -14.1009866485675 5413259 CCN1/C(=C\2/C=C3C=CC=CC3=CC2=O)/NNC1=S 1 2.412 3 1 -3.14829524580089 5413241 CC1=CC(=NO1)NC(=O)CSC2=NNC(=C3C=CC(=O)C=C3)O2 1 1.654 4 4 0 -20.9031650187671 5413231 C1=CC=C(C=C1)N2C=NNC2=C3C=CC(=O)C=C3 1 1.734 3 1 0 -4.25728606416359 5413173 C1CCC(CC1)NC(=O)CSC2=N/C(=C\3/C=CC=CC3=O)/NN2 1 2.15 4 2 -16.3362325101782 5413152 COC1=CC=CC=C1C2=CC(=C3C=CC(=O)C=C3)NC(=C2C#N)N 1 1.713 3 2 0 -3.14737287312888 5413149 COC1=C/C(=C/2\C3=C(CCCC3)NC(=C2C#N)N)/C=CC1=O 1 1.237 3 2 0 -9.57662296985566 5413148 COC1=C(C=CC(=C1)C2=CC(=C3C=CC(=O)C=C3)NC(=C2C#N)N)O 1 1.471 3 3 0 1.63387203742206 5413141 COC1=C(C=C(C=C1)C2=CC(=C3C=CC(=O)C=C3)NC(=C2C#N)N)OC 1 1.696 3 3 0 -4.28223804586942 5413127 COC1=CC=C(C=C1)C2=CC(=C3C=CC(=O)C=C3)NC(=C2C#N)N 1 1.713 3 2 0 4.64882733291687e-002 5413125 CC1=C(SC2=C1C(=O)N(C(=N2)C)N/C=C/3\C=CC=CC3=O)C 1 1.422 3 2 0 -9.79877283168217 5413123 CC1=C(SC2=C1C(=O)N(C(=N2)C)NC=C3C=CC(=O)C=C3)C 1 1.422 3 2 0 -7.12417839681183 5413120 C1COCCN1C(=O)CSC2=N/C(=C\3/C=CC=CC3=O)/NN2 1 0.185 4 3 0 -15.7365246085217 5413115 C1=CC2=C/C(=C\3/NNC(=S)O3)/C(=O)C=C2C=C1 1 1.98 2 2 0 -2.83760716088432 5413110 C1CCC(CC1)CSC2=NNC(=C3C=CC(=O)C=C3)O2 1 4.068 2 2 -7.55193037346652 5413107 C1=CC=C(C=C1)CSC2=NNC(=C3C=CC(=O)C=C3)O2 1 3.463 2 2 -7.80926867178491 5413104 C1=CC=C(C=C1)NC(=O)CSC2=NNC(=C3C=CC(=O)C=C3)O2 1 2.516 3 3 -11.8008700454556 5413090 CC1=C(/C(=C/2\C=CC(=CC2=O)OC)/ON1)C3=CN(N=C3)C4=CC=CC=C4 1 1.844 3 3 0 -0.140885471120765 5413085 CCC1=C/C(=C/2\C(=C(NN2)C)C3=NC(=CS3)C)/C(=O)C=C1OC 1 1.327 3 2 0 -6.70485754156596 5413078 C1=CC=C(C=C1)CC2=NN=C(O2)S/C=C(/C3=CC=C(C=C3)F)\O 1 3.433 2 2 -8.62874471179335 5413076 CC(C)(C)C1=CC(=C(NC)S)C=C(C1=O)C(C)(C)C 1 4.007 1 1 -1.89010089117444 5413051 CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC=CC=N3)O 1 3.814 1 3 3.43119938412543 5413038 C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C(C=C3)O)OC2=O 1 3.022 0 4 -4.46404619152489 5413026 CCCC1=CC(=O)OC2=C1C=CC(=C2CN3CCOCC3)O 1 2.777 1 4 2.26504088546657 5412959 CC1=C(C=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3C)C 1 4.764 2 0 5.21962356248954 5412934 CC\1=C(C(=O)N(C(=O)/C1=C\NNC2=CC=C(C=C2)F)C)C#N 1 1.263 4 2 0 2.27026046505052 5412930 CC(=O)C1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O 1 2.876 0 4 2.21936967854477 5412903 CC1=CC(=O)/C(=C(\C)/NNC(=O)C2=CN=CC=C2)/C(=O)O1 1 -0.197 3 4 0 -10.2758401989278 5412886 C1=C/C(=C/2\C=NNS2)/C(=CC1=O)O 1 0.163 2 2 0 -2.85374467190734 5412885 C1=CC(=O)C(=CC1=O)C2=CNNS2 1 -0.401 2 2 0 -1.22958694403054 5412772 CC/C(=C/1\C=NNC(=N1)SC)/N=O 1 1.531 4 1 0 -7.76052804839145 5412723 COC1=CC=C/C(=C\NNC(=O)C2=NC=CN=C2)/C1=O 1 -1.178 4 3 0 -7.1033784328719 5412647 COC1=CC=CC=C1C(=O)C(=C2NC3=CC=CC=C3N2)C#N 1 3.102 3 2 -8.83139920967404 5412569 C1CC2=C(C3=CC=CC=C31)N/C(=C/4\C=C5C=CC(=O)C=C5OC4=O)/S2 1 2.867 1 3 -3.68969582182941 5412549 CC1=C(C2=NC3=C4C(=NON4)CCC3=C2C=C1)C 1 1.547 3 1 0 -5.91795570396961 5412501 COC1=C/C(=C\2/CC(=NC3=CC=CC=C3N2)C4=CC=CO4)/C(=O)C=C1 1 2.858 2 3 -7.34014539454682 5412486 CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)O 1 3.212 1 4 -8.4098513068755 5412421 CC1=CC(=O)/C(=C(\C)/NNC(=O)C2=CC=CS2)/C(=O)O1 1 0.907 2 4 0 -10.329228253347 5412413 CC1=CC(=O)/C(=C(\C)/NNS(=O)(=O)C2=CC=CC=C2)/C(=O)O1 1 0.657 2 5 0 -10.9306299984113 5412270 CCOC(=O)/C(=C\C1=CN(C2=CC=CC=C21)C)/C#N 1 2.84 2 2 -6.0980645285527 5412262 CC(=C1C=CC(=O)C=C1)NNC(=O)C2=CC=C(C=C2)OC3CCCC3 1 2.906 2 3 -5.31623788227955 5412239 CC(=C1C=CC(=O)C=C1)NNC(=O)C2=CSC3=CC=CC=C32 1 2.382 2 2 -3.60823969656652 5412071 COC1=CC(=C/C(=C\NNC(=O)N)/C1=O)Cl 1 -0.811 3 3 0 -1.47514377860122 5411990 C1=CC(=CC=C1C(=O)NNC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-])F 1 1.958 3 5 0 -3.8032532815173 5411758 CCC(=C1C=CC(=O)C=C1)NNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.411 2 3 -4.16908949234702 5411582 C1=CC=C(C=C1)C2=C/C(=C/3\C=C(C=CC3=O)Br)/NN2 1 1.801 2 1 0 -1.23511166703501 5411581 C1=CC=C(C=C1)N2/C(=C/3\C=C(C=CC3=O)Br)/C=CN2 1 2.349 2 1 -3.1771438241864 5411577 CC1=C(C(=O)OC2=C1C=CC(=C2C)O)Br 1 3.043 0 3 4.84204506171648 5411557 CC(C)CN1C(=O)/C(=C/C2=CC=CO2)/NC1=S 1 2.623 2 2 -4.68213657760733 5411556 CC(C)CN1C(=O)/C(=C/C2=CC=CS2)/NC1=S 1 3.181 2 1 -6.09205777470131 5411536 CC1=CC=CC2=CC(=C(N=C12)C)C(=O)NNC=C3C=CC(=O)C=C3 1 1.962 3 2 0 -2.91206809282785 5411472 COC(=O)C1=C(C=CC(=C1)NC(=O)/C=C/C2=CC=CC=C2)O 1 2.695 1 4 -5.04331129550983 5411471 CC(C)(C)N/C=C/1\C=C(SC1=O)C2=CC=CC=C2 1 2.526 1 1 -1.2887401266419 5411323 CC1=NC=C(C=C1)C(=O)NN/C=C/2\C=C(C=CC2=O)Br 1 0.591 3 2 0 -8.02008797749931 5411288 CC1=CC2=C(C=C1)NC(=C3C=CC(=O)C=C3)O2 1 2.997 1 2 -2.21708071214162 5411286 CC1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)NC(=O)C4=NC=NN4)/N2 1 1.652 5 3 0 -7.54962554606586 5411283 CC1=CC2=C(C=C1)N(/C(=C\C(=O)C)/C2(C)C)C 1 3.041 1 1 5.95841275018064 5411269 CC1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)OC)/C(=O)O2 1 3.782 1 3 -7.46551952907982 5411262 CC(C)C1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)N)/N2 1 2.508 2 2 -1.54180450516821 5411250 C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.82 2 2 -8.01674658513805 5411023 C1CCC(CC1)C(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 1.211 3 4 0 -3.62185387110384 5410883 CC1(C(=O)/C(=C\NC2=CC=CC=C2)/C3=C(O1)C=CC4=C3OC(=O)C=C4)C 1 3.383 1 4 -4.59376262446552 5410875 C1CC2=NC(=NC2=C3C1=NON3)C4=CC=CO4 1 0.324 4 2 0 -0.530809935117261 5410869 C1OC2=C(O1)C=C(C=C2)C(=O)NN/C=C\3/C=CC=N3 1 0.145 3 3 0 -6.61020206615745 5410845 C1=CC(=CC=C1C\2=NN=C/C2=C\NNC(=O)C3=CC=NC=C3)F 1 0.933 5 1 0 -3.49579965663799 5410816 C1=CC=C(C=C1)C\2=NN=C/C2=C\NNC(=O)C3=CC=CS3 1 1.832 4 1 0 -6.0014183529077 5410783 C1=CC=C2C(=C1)C(=CS2)C(=O)NNC=C3C=CC(=O)C=C3 1 1.868 2 2 0 -2.56693195728878 5410778 CC1=CC(=O)/C(=C(\C)/NNC(=O)C2=CC=CC=C2[N+](=O)[O-])/C(=O)O1 1 0.848 3 6 0 -13.285548900678 5410766 C1=CC=C2C(=C1)C=CC=C2N/C=C/3\C=CC(=O)C=C3O 1 2.47 1 2 -0.825126244207419 5410765 CC1(OCCO1)CC(=O)NN/C=C/2\C=C(C(=O)C=C2O)[N+](=O)[O-] 1 -1.642 3 7 0 -9.20015308351036 5410731 CC1=C/C(=C\NC2=C(C=CC(=C2)C)O)/C(=O)C=C1 1 2.789 1 2 -0.584630376801459 5410717 CC1=C(C=CC=C1[N+](=O)[O-])N/C=C\2/C=CC(=O)C(=C2)Br 1 2.932 2 3 -2.06571145635217 5410709 C1=CC=C(C=C1)C2=N/C(=C\C=C\C3=CC=CO3)/C(=O)O2 1 3.176 1 3 -1.63986008123535 5410702 CC1=NC2=CC=CC=C2C(=O)N1N/C=C/3\C=CC=CC3=O 1 1.003 3 2 0 -7.55881138143202 5410628 CN(C)N/C=C/1\C(=O)C=CC2=CC=CC=C21 1 0.937 2 1 0 -9.0529739249933e-002 5410558 C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC2=C4C=CC(=O)C=C4 1 3.74 2 1 -7.09182219151937 5410433 C1=CC=C2C(=C1)N/C(=C\C(=O)C3=CC=CS3)/C(=O)N2 1 2.181 2 2 -9.7794924869715 5410423 CCN1CCN(CC1)C2=CC=C(C=C2)N/C=C/3\C=CC(=O)C=C3O 1 2.03 3 2 9.45207587370344e-002 5410422 CCN1CCN(CC1)C2=CC=C(C=C2)N/C=C/3\C=CC=CC3=O 1 2.567 3 1 -1.73057005686736 5410402 C1=CC=C2C(=C1)C3=CC=CC=C3C2=NN/C=C/4\C=C(C=CC4=O)[N+](=O)[O-] 1 2.894 3 3 -4.16917749662652 5410367 CCC1=C/C(=C/2\C(=C(NN2)C)C3=CC=CC=C3Cl)/C(=O)C=C1OC 1 2.847 2 2 -3.37821516075381 5410365 C/C(=C\1/C=CC=CC1=O)/NN2CCN(CC2)C3=CC=CC=C3OC 1 2.014 3 2 -2.7992502235969 5410343 CC1=CC=C(C=C1)CN2CCN(CC2)N/C=C\3/C=CC(=O)C(=C3)O 1 1.376 3 2 0 2.7244521953459 5410334 COC1=CC=C(C=C1)C2=CSC(=C3C=CC(=O)C=C3)N2 1 2.421 1 2 -2.01412022252753 5410292 CCN(CC)C1=C/C(=C\NC2=CC(=C(C=C2)C)C)/C(=O)C=C1 1 3.54 2 1 -4.75382936007441 5410238 CC(C)C1=NN2C(=C(C(=O)N=C2S1)/C=C/3\C=NC4=CC=CC=C43)N 1 2.975 5 1 -10.8130788595498 5410228 CCN\1C2=CC=CC=C2N/C1=C(\C#N)/N=O 1 2.407 4 1 -6.0856553125522 5410193 C1=CC=C2C(=C1)N=C(N2N/C=C/3\C=C(C=CC3=O)[N+](=O)[O-])CO 1 0.851 4 4 0 -0.282165475063377 5410188 C1=CC=C2C(=C1)NC(=C(C#N)N=O)N2 1 1.705 4 1 0 -6.08219772670989 5410149 CC1=CC(=CC=C1)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CC=C3 1 3.452 2 3 -12.9206217065755 5410106 C1=CC=C(C=C1)NC(=O)NN/C=C/2\C(=O)C=CC3=CC=CC=C32 1 1.965 3 2 0 -1.3622787689237 5410076 CC1(CC2=C(CO1)C=C3C(=N2)NC(=S)NC3=O)C 1 1.455 3 2 0 -13.0702643291499 5410030 CCOC1=CC=C(C=C1)N/C(=C/2\C=CC=CC2=O)/C 1 2.945 1 2 -3.83528423645456 5409975 CCNC1=N/C(=C/2\C=C(C=CC2=O)Cl)/NC(=N1)N 1 1.07 5 1 0 -7.96424171130028 5409968 CCN/C(=C/1\C(=O)C2=CC=CC=C2NC1=O)/O 1 0.891 2 3 0 -8.81490938967156 5409965 C1=CC(=CN=C1)C(=O)NN/C=C/2\C=C(C=CC2=O)Cl 1 0.225 3 2 0 -5.93998314971364 5409964 CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)O 1 2.614 0 6 -4.81684942341047 5409927 C1=CC2=NC(=O)C(=C2C=C1Cl)NO 1 0.457 2 2 0 -2.04324120839307 5409911 CC1=C(C=CC(=C1)C(=O)O)N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 3.265 1 3 -5.01292760933833 5409880 CC(C)(C)C1=CC(=C(C=C1)O)N/C=C/2\C=C(C=CC2=O)Br 1 3.71 1 2 3.11083442420095 5409850 CC(C)(C)C1=CC(=C(C=C1)O)N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 4.308 1 2 5.01974117934804 5409817 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)C3=CC(=CC=C3)F 1 1.967 3 1 0 -3.82238079594778 5409786 CC1=CC(=C(C=C1)N2C(=O)/C(=C\NC3=CC=CC=C3OC)/C(=N2)C)C 1 3.332 3 2 -3.34437730941301 5409773 C1=CC=C(C=C1)C2=NNC(=S)N2N/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 1.813 5 3 0 -5.23985265061009 5409753 CC(C)(C)C1=CC(=O)/C(=C(\O)/OC)/C(=O)N1C2=CC=CC=C2 1 2.822 1 4 -2.64056907798813 5409743 CC1=CC(=C(C=C1)C)NC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C 1 4.64 3 1 -3.33734179559859 5409732 CC(C)(C)C1=CC(=O)/C(=C(\O)/OC)/C(=O)N1C2=CC=C(C=C2)F 1 3.028 1 4 -1.66738885738064 5409731 CC1=C(C2=C3C(=CC=C2)C(=O)N(C(=O)C3=C1O)C4=CC=CC=C4)O 1 3.349 1 4 -2.62550518333165 5409728 CC/C(=C/1\C(=O)C2=C(CCCC2)N(C1=O)C3=CC=CC=C3)/NO 1 2.641 2 3 -8.94307270200213 5409727 CC1=C(N(C(=O)/C(=C(/C)\NO)/C1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.744 2 3 -0.788134136679413 5409726 CCC1=C(N(C(=O)/C(=C(/C)\NO)/C1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.2 2 3 -2.38289643338558 5409723 CCN\1C2=C(C=C(C(=C2)C)C)S/C1=C\C=C(/C(=O)C)\C(=O)OCC 1 4.646 1 3 7.11233642301876 5409720 CN\1C2=CC=CC=C2S/C1=C\C(=O)C3CCC3 1 3.906 1 1 3.92064070530651 5409706 C1=CC(=CC=C1C2=CN=C3C(=N2)NC(=O)NC3=O)Cl 1 1.842 4 2 0 1.05300686521212 5409636 CCOC(=O)CSC1=NC(=O)/C(=C/C2=CC=C(C=C2)OC)/S1 1 3.447 1 4 -9.35192397602708 5409477 C1=CC=C(C=C1)N2/C(=C/3\C=NN=C3C4=C(C=C(C=C4)F)F)/N=NN2 1 4.407 6 0 -1.47728524082526 5409421 CN(C)C1=NC2=C(C(=N1)OCC3=CC=CC=C3)N=CC(=O)N2 1 1.684 5 2 0 -6.70233367102524 5409420 CC1=CN=C2C(=N1)NC(=NC2=O)NC(=O)C 1 -0.442 5 2 0 -6.46782208553369 5409419 CN(C)C1=NC2=C(C(=N1)N)N=CC(=S)N2 1 0.742 6 0 0 -4.64004423318056 5409408 CC1=NC2=C(NC(=S)N(C2=O)C)N=C1C 1 1.373 4 1 0 -3.1726876479623 5409407 C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C5C(=N4)NC(=O)NC5=O 1 2.813 4 2 -4.70716529136007 5409389 CCC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)C3=CC=CC=C3 1 3.637 2 2 -7.9936522518711 5409381 CN1C2=CC=CC=C2/C(=N/NC(=O)CNC(=O)C3=CC=CC=C3)/C1=O 1 1.03 4 3 0 -11.8953177670271 5409364 C1=CC=C(C=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C=C3 1 2.07 4 1 -2.84081762829662 5409329 CC1=NC=C2C3=CC=CC=C3NC2=C1 1 2.455 2 0 3.9651245856492 5409139 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=NC=C2)/C(=O)NC3=CC=CC=C3 1 2.42 3 2 -16.0200377643271 5409138 CN(C)C(=O)/C(=C\C1=CC=NC=C1)/NC(=O)C2=CC=CC=C2 1 1.05 3 2 0 -13.8585727207152 5409133 C1CCCN(CC1)C(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CC=C3 1 2.423 3 2 -19.2954006813558 5409132 C1COCCN1C(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CC=C3 1 0.737 3 3 0 -20.8636971311314 5409131 COC(=O)/C(=C\C1=CC=C(O1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2 1 2.056 2 6 0 -10.53549049605 5409111 C1CCCC(CCC1)N/C(=C\2/C(=O)C3=CC=CC=C3NC2=O)/O 1 3.313 2 3 -8.887229218189 5409110 C1CCCC(CC1)N/C(=C\2/C(=O)C3=CC=CC=C3NC2=O)/O 1 2.857 2 3 -8.887229218189 5409055 C1=COC(=C1)C2=N/C(=C\NC3=CC=C(C=C3)C(=O)O)/C(=O)O2 1 1.679 2 5 0 -9.14538950945233 5409014 CCC1=CC=C(C=C1)C2=CN=C3C(=N2)C(=O)N=CN3 1 2.306 4 1 2.04065191185655 5408991 CC(=O)N/C(=C/C1=CC2=C(C=C1)OCO2)/C(=O)N3CCOCC3 1 -8.e-003 2 5 0 -17.8510709603936 5408960 CC1=C(C(=O)N=C(N1)C)CC(=O)NNC=C2C=CC(=O)C=C2 1 -1.062 4 3 0 -9.68182512265876 5408847 C/C(=C\C(=O)C1=CC=CC=C1)/NNC2=NC3=CC=CC=C3S2 1 3.218 3 1 2.37847112129836 5408882 CCC1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)N)/N2 1 2.256 2 2 -1.89131618482376 5408681 C1=CC=C(C=C1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N 1 3.144 3 1 -7.43800102455303 5408594 CC1=C(C=CC2=C1OC(=C(C2=O)C3=CN(N=C3)C4=CC=CC=C4)C)O 1 3.851 2 3 11.5239455579729 5408587 CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)OC3=CC4=CC=CC=C4C=C3 1 3.832 0 4 4.68363420762994 5408585 CC(=O)N/C(=C/C1=CC=C(C=C1)[N+](=O)[O-])/C(=O)O 1 0.646 2 5 0 -10.9012033508838 5408543 COC1=C(C=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)OC 1 2.349 0 6 0.968195973099629 5408334 C1=CC=C2C(=C1)N=C(O2)SCC(=O)NN/C=C\3/C=CC(=O)C(=C3)O 1 0.93 3 4 0 -5.65906482216211 5408252 C1=CC=C(C=C1)CN2C(=C3C=CC(=O)C=C3)NNC2=S 1 3.102 3 1 -0.605608970361341 5408367 CC1=CC(=NN1C2=NN=C(N2NC=C3C=CC(=O)C=C3)C)C 1 0.825 6 1 0 -6.88059980705797 5408177 CC1=C/C(=C\NNC(=O)CC2=CC=C(C=C2)Cl)/C(=O)C=C1 1 2.152 2 2 -4.15987148541717 5408188 CC1=CC=C/C(=C\NNC(=O)CC2=CC=C(C=C2)Cl)/C1=O 1 2.152 2 2 -4.408320667291 5408200 CC(=O)N(C)C1=CC=C(C=C1)N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 2.476 2 2 -5.56695283042976 5408240 C1OC2=C(O1)C=C(C=C2)N3C(=O)/C(=C/C4=CC=CS4)/C(=O)NC3=O 1 2.368 2 5 0 -2.08599247290024 5408153 CC1=C2C(=CC(=C1O)CC=C)C3=CC=CC=C3C(=O)O2 1 4.202 0 3 -2.03415880961076 5408146 CN1/C(=C/2\C=C(C=CC2=O)Br)/NNC1=S 1 1.971 3 1 0 -3.05066638659688 5408119 C1=CC=C(C=C1)CCNC(=O)C2=C/C(=C/N=O)/NC=C2 1 0.964 3 2 0 -8.65536427373247 5408116 CNC(=O)/C(=C\C1=CC=CO1)/NC(=O)C2=CC=CO2 1 0.785 2 4 0 -15.1255110979059 5408095 COC1=CC(=C(N2CCOCC2)S)C=C(C1=O)OC 1 0.885 1 4 0 -1.62320757420401 5408044 C/C(=C\C(=O)C1=CN=CC=C1)/NC2=CC=C(C=C2)C(=O)O 1 2.036 2 3 -4.48581924444567 5408013 CC1=CC=C(C=C1)CN/C(=C/C(=O)C2=CC=C(C=C2)Br)/C 1 4.52 1 1 -1.40962283506369 5407960 CC1=CC=CC=C1C2=NC(=C3C=CC(=O)C=C3)ON2 1 2.519 2 2 -0.754994401079033 5407945 COC1=CC2=C(CCC3=C2N=C(S3)NC=C4C=CC(=O)C=C4)C=C1 1 3.025 2 2 6.2903810774682 5407929 C/C(=C\C(=O)C1=CC=NC=C1)/NC2=C(C=CC(=C2)OC)OC 1 2.373 2 3 -3.03557383505178 5407918 C1=CC=C(C=C1)N2C=C(C=N2)C3=COC4=C(C3=O)C=CC(=C4)O 1 2.851 2 3 7.12461236534628 5407913 CC1=C(/C(=C/2\C=CC(=CC2=O)OC)/NN1)C3=CN(N=C3)C4=CC=CC=C4 1 1.506 4 2 0 -1.25512064125184 5407907 C1=C/C(=C/2\C(=CNN2)C(=O)C3=CC=C(C=C3)Cl)/C(=O)C=C1 1 1.629 2 2 0 -4.19833960105921 5407902 CN1CCN(CC1)C(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CO3 1 1.506 3 3 0 -14.7030846951237 5407898 COC1=CC(=O)/C(=C\2/C(=CNN2)C3=CN(N=C3)C4=CC=CC=C4)/C=C1 1 0.993 4 2 0 1.57645731568496 5407865 CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)N2CCCCC2 1 1.453 2 2 0 -14.766494110684 5407843 CC(=O)NC1=CC=C(C=C1)N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 2.27 2 2 -5.59863353561797 5407779 CC1=C(C(=O)OC2=C(C(=C(C=C12)O)O)Br)Br 1 3.063 0 4 2.70843902421653 5407596 COC1=C(C=C(C=C1)C2=C/C(=C/C3=CN=CC=C3)/C(=O)O2)OC 1 2.367 1 4 -5.18801221652277 5407558 C1=CC2=C(C=C1N/C=C/3\C=C(C=CC3=O)Br)C=NN2 1 2.195 3 1 -4.44232200391186 5407557 CC1=C/C(=C\NC2=CC3=C(C=C2)NN=C3)/C(=O)C=C1 1 2.189 3 1 -5.33378492230395 5407434 CCOC1=CC=C(C=C1)N/C(=C/C(=O)C2=CC3=C(C=C2)OCCO3)/C 1 3.675 1 4 -5.6867216582776 5407404 C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CS3)/C(=O)N2 1 2.205 2 2 -1.77615902386501 5407397 C1=CC=C2C(=C1)C(=O)/C(=C/NC3=CC=CC4=C3N=CC=C4)/S2 1 3.222 2 1 -2.26766719022815 5407340 CC1=C(/C(=C/C2=CC=CO2)/C(=O)N1)C(=O)OC 1 0.879 1 4 0 -8.62787129999809 5407256 CCCC1=NN=C2C1=C(CCC2)NO 1 1.256 3 1 0 -2.94058630755698 5407255 CC1=NN=C2C1=C(CCC2)NO 1 0.133 3 1 0 -1.47115628104917 5407254 CCC1=NN=C2C1=C(CCC2)NO 1 0.8 3 1 0 -3.28246076350073 5407187 C1=CC=C(C=C1)NC(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 0.657 4 4 0 -4.24759457456964 5407144 CC1=CC(=CC=C1)N/C=C/2\C=C(C=C(C2=O)[N+](=O)[O-])OC 1 2.015 2 4 -1.70180302796835 5407113 CC(=O)NC1=C(C=C(C(=C1)N/C=C/2\C=CC(=O)C=C2O)Cl)Cl 1 2.01 2 3 -5.52391785713101 5407054 C1CC(=C2C(=[N+](N(N2)C3=CC=CC=C3)[O-])C1)N=O 1 0.687 4 2 0 -2.80307459295406 5407052 C1=CC=C(C=C1)C2=CC(=C3C=CC(=O)C=C3)NC(=C2C#N)N 1 1.729 3 1 0 -1.50619338418917e-002 5407051 C1COCCN1C2=CC=C(C=C2)N/C=C/3\C=CC(=O)C=C3O 1 1.411 2 3 0 -2.86731485653853 5406862 C1/C(=C(\C2=CC=C(C=C2)Cl)/O)/C(=O)C(=O)O1 1 1.869 0 4 0 0.618004811921361 5406751 CC1=CC(=C(C(=O)N1N/C=C/2\C(=O)C=CC3=CC=CC=C32)C(=O)N)C 1 0.823 3 3 0 -3.9959989499539 5406729 C1=CC(=O)C=CC1=CNNC(=O)C2=CC(=CN=C2)Br 1 0.604 3 2 0 -2.36192067966054 5406720 CC1=CC=C(C=C1)N2C(=O)/C(=C\C=C\C3=CC=CC=C3)/C(=N2)C 1 3.988 2 1 3.73596409371869 5406694 CC1=C(C=C2C(=N1)N=C(N2)C3=CC=CS3)Br 1 3.3 3 0 0.987761865042222 5406569 C1=C/C(=C/N=O)/NC=C1C(=O)N 1 -1.146 3 2 0 -4.39807042115607 5406463 C1CC2=C3C=CC=CC3=NC2=C4C1=CNN4 1 0.3 3 0 0 -7.01135581811734 5406462 CC1=CC=C(C=C1)NC(=O)C2=C3NC4=CC=CC=C4N3CCC2=O 1 3.124 3 2 -9.20390740612967 5406437 CC1=CC(=NN1C(=O)CNC(=O)/C=C/C2=CC=CC=C2)C 1 1.884 3 2 0 -12.067587621678 5406370 C1=CC(=O)C=CC1=C2NC(=CS2)C3=CC(=C(C=C3)O)O 1 1.953 1 3 0 3.71720824905056 5406358 C1=CC=C2C(=C1)NC(=C3C=CC(=O)C=C3)C=N2 1 1.988 2 1 0 -4.29949229616524 5406357 CCCC1=CC2=C(C(=CC(=O)O2)C)C(=C1)O 1 3.502 0 3 -0.487663590453668 5406351 C1=CC=C(C=C1)C(=O)C(=C2NC3=CC=CC=C3N2)C(=O)C4=CC=CC=C4 1 4.644 2 2 -7.18056994878609 5406310 C1=CC=C(C=C1)C2=N/C(=C\NC3=CC=CC=N3)/C(=O)O2 1 2.042 3 2 -5.58196429354997 5406303 CCOC1=C/C(=C/2\C3=C(CCCC3)NC(=C2C#N)N)/C=CC1=O 1 1.586 3 2 0 -11.5193018301456 5406273 COC1=CC=C(C=C1)C\2=NOC(=O)/C2=N/NC3=CC=C(C=C3)OC 1 3.143 3 4 0 -1.35505051016402 5406256 C1=CC=C2C(=C1)C=CC=C2C(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 1.657 3 4 0 -3.95531682431026 5406244 CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)O)C=CC=C4C2=O 1 2.225 2 4 -4.08417346722467 5406182 C1=CC=C2C(=C1)C=CC=C2C(=O)NN/C=C/3\C=CC=CC3=O 1 1.915 2 2 0 -4.23087623686713 5406137 COC1=CC=C/C(=C\NC2=CC=C(C=C2)N3CCOCC3)/C1=O 1 1.637 2 3 0 -4.06086496907869 5406107 C1=CC2=NSN=C2C(=C1)NC(=O)NNC=C3C=CC(=O)C=C3 1 1.043 5 2 0 -3.42830480650161 5406010 C1=CC(=O)/C(=C/NC(CO)(CO)CO)/C=C1Br 1 -1.036 1 4 0 -1.90970270709597 5406001 CC1=NON=C1C(=O)NNC=C2C=CC(=O)C=C2 1 -0.478 4 3 0 -7.30554014457851 5432756 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NN/C=C/3\C=CC(=O)C=C3O 1 1.715 3 4 0 -2.98781257300867 5432368 C1=CC(=C(C=C1N/N=C\2/C(=NN(C2=O)C3=C(C=C(C=C3Cl)Cl)Cl)N)C(=O)N)Cl 1 3.755 6 2 0 -6.5318404199115 5432339 CCOC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NN/C=C\4/C=CC(=O)C(=C4)OC 1 3.16 3 4 0 -8.36384815348495 5405918 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)OCC3=CC=C(C=C3)F 1 3.091 2 2 -6.72316231681975 5405913 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)NCC3=CC=CC=C3 1 2.239 3 1 -9.4732013642653 5405912 CC1=CC(=N/C(=C/2\C=CC=CC2=O)/N1)OC(C)C 1 2.029 2 2 -9.79835585588922 5405908 COC1=C/C(=C\2/C=C(NN2)C3=CC=CC=C3Cl)/C(=O)C=C1 1 1.7 2 2 0 -0.159378624469526 5405904 COC1=C/C(=C\2/C=C(NN2)C3=CC=C(C=C3)F)/C(=O)C=C1 1 1.242 2 2 0 9.89546232704701e-002 5405903 CC1=CC(=O)/C(=C\2/C=C(NN2)C3=CC=C(C=C3)F)/C=C1 1 2 2 1 0 -0.864983976654995 5405862 COC1=CC(=C(C=C1)OC)C2=C/C(=C/C3=CC=CC=N3)/C(=O)O2 1 2.795 1 4 -1.45196803845173 5405848 C/C(=C\C(=O)C1=CN=CC=C1)/NC2=CC=C(C=C2)O 1 2.164 2 2 -0.907438595307224 5405846 CCOC1=CC=C(C=C1)C2=C/C(=C/C3=CN=CC=C3)/C(=O)O2 1 2.732 1 3 -2.44094602590459 5405772 CC1=C(C(=NN1C)C)N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 2.228 3 1 -0.562161050708305 5405731 C1CC2=C3C=C(C=CC3=NC2=C(C1)NN)[N+](=O)[O-] 1 0.509 4 2 0 -3.6295063503177 5405711 CC1=CC(=NO1)N/C=C/2\C=C(C=CC2=O)Cl 1 1.134 2 2 0 -8.58747501988958 5405681 CC1=CC(=NO1)N/C=C/2\C=C(C=CC2=O)OC 1 0.453 2 3 0 -9.10197023114683 5405604 C1=CC=C(C=C1)NC(=O)NN/C=C/2\C=C(C=CC2=O)Br 1 1.367 3 2 0 -3.85106882810836 5405567 C1=CC=C(C(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)O 1 3.509 2 3 5.17245380090236 5405553 CC1=CC=C(O1)/C(=C(\C)/NO)/N=O 1 1.043 2 3 0 0.625959269845039 5405507 CC1=C2C(=CC(=N1)C(=O)NC3=CC=CC=C3Cl)C4=CC=CC=C4N2 1 4.332 3 1 -1.39831433893433 5405496 CCOC(=O)C1=C(OC(=C1C#N)N/C=C/2\C=CC=CC2=O)C 1 1.556 2 4 0 -11.5823578836719 5405494 CC1=C2C(=NC(=N1)C3=CC=CC=C3)NC(=O)N(C2=O)C4=CC=CC=C4 1 3.01 4 2 -1.22998396729718 5405465 CC1=CC2=C(C=C1)O/C(=C/3\C=CC(=CC3=O)NC(=O)C4=CC=NC=C4)/N2 1 2.335 3 3 -7.03726896465108 5405459 COC1=CC=C(C=C1)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N 1 2.928 3 3 -7.3437040075651 5405452 CCN1C2=CC=CC=C2N=C1N/C=C/3\C=CC(=CC3=O)OC 1 1.926 3 2 0 -3.32342236713683 5405451 CN1C2=CC=CC=C2N=C1N/C=C/3\C=CC(=CC3=O)OC 1 1.577 3 2 0 -2.03527892614917 5432276 CC(C)(C)C1=CC=C(C=C1)C(=O)NN/C=C/2\C=NN=C2C3=CC(=C(C=C3)OC)OC 1 3.246 4 3 0 -4.54007071834241 5432254 COC1=CC=C(C=C1)C\2=NN=C/C2=C\NNS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.23 4 3 0 -2.72335515874838 5432072 CC1=C(SC(=C1C(=O)N)N/C=C/2\C(=O)C=CC3=CC=CC=C32)CC4=CC=CC=C4 1 4.269 2 2 -2.62779713616586 5432024 C1COCCN1C(=O)C2=CC=CC=C2N/N=C\3/C(=NN(C3=O)C(=S)N)C4=CC=CC=C4 1 2.464 6 3 0 -11.1279669191455 5431847 CCOC1=CC=C(C=C1)NC2=C(C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)O)OC)/S2)C(=O)OCC 1 4.121 1 8 0 -13.7741263287482 5431846 CCOC(=O)C1=C(S/C(=C\C2=CC=C(O2)C3=CC=CC=C3C(=O)O)/C1=O)NC4=CC=C(C=C4)OC 1 5.158 1 7 0 -4.34512254865383 5431723 C1=CC(=O)C=CC1=CNNC(=O)C2=CC=C(O2)COC3=C(C=CC(=C3)Cl)Cl 1 3.375 2 4 -3.52118887870618 5431676 CC\1=C(C(=O)NC(=O)/C1=C\NC2=CC=C(C=C2)S(=O)(=O)CCO)C#N 1 0.165 3 5 0 -12.5397472962141 5431663 CC\1=C(C(=O)NC(=O)/C1=C\NC2=CC=C(C=C2)S(=O)(=O)N(C)C)C#N 1 0.296 4 4 0 -10.3305103585605 5431639 CC(=O)N/C(=C\C1=CC2=C(C=C1)OCO2)/C(=O)NC3=CC=C(C=C3)OC 1 1.658 2 5 0 -13.7378417730479 5431621 C=CCC1=CC=C/C(=C\NNC(=O)C2=CC(=NN2CC3=CC=CC=C3)[N+](=O)[O-])/C1=O 1 2.933 5 4 0 -13.2735710623324 5431583 CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NNC=C4C=C(C(=O)C(=C4)OC)OC 1 3.002 3 4 0 -2.2168379776438 5431469 CCOC(=O)C1=C(SC2=C1CCCC2)N/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F 1 4.466 3 4 0 -13.6125089704134 5405444 C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C(N2)C=CC(=C4)O)C(=O)O 1 2.67 1 5 -6.07208251125638 5405440 C1=CC=C(C(=C1)NC(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C#N)O 1 2.574 3 4 0 -9.86707379245413 5405430 COC1=C/C(=C\2/C=C(NN2)C3=CC(=CC=C3)Br)/C(=O)C=C1 1 1.784 2 2 0 0.771161686992282 5405429 CC1=C/C(=C\2/C=C(NN2)C3=CC(=CC=C3)Br)/C(=O)C=C1 1 2.543 2 1 -0.267974079924837 5405428 COC1=C/C(=C\2/C=C(NN2)C3=CC=CC=C3[N+](=O)[O-])/C(=O)C=C1 1 0.93 3 4 0 -3.69993849374346 5405426 C1=CC=C(C(=C1)C2=C/C(=C/3\C=C(C=CC3=O)Cl)/NN2)[N+](=O)[O-] 1 1.611 3 3 0 -3.18544328248621 5405422 CC1=CC(=O)/C(=C\2/C=C(NN2)C3=CC=CC=C3[N+](=O)[O-])/C=C1 1 1.689 3 3 0 -4.66387709366892 5405420 CC1=C/C(=C\2/C=C(NN2)C3=CC(=CC=C3)F)/C(=O)C=C1 1 2 2 1 0 1.23940036227116 5405419 CC1=CC(=O)/C(=C\2/C=C(NN2)C3=CC(=CC=C3)F)/C=C1 1 2 2 1 0 1.31459752926282 5405417 CC1=C/C(=C\2/C=C(NN2)C3=CC=CC=C3C)/C(=O)C=C1 1 2.281 2 1 -1.92814186214733 5405416 CC1=CC(=O)/C(=C\2/C=C(NN2)C3=CC=CC=C3C)/C=C1 1 2.281 2 1 -1.85294469515568 5405414 C1=C/C(=C/2\C=C(NN2)C3=CC(=CC=C3)F)/C(=O)C=C1 1 1.554 2 1 0 1.45877812164511 5405405 CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CO3 1 3.452 2 3 -14.3872286046346 5405401 CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CO3 1 2.848 2 4 -13.6030737796941 5405386 C1=CC=C(C=C1)CNC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CO3 1 2.973 2 3 -17.9215478039636 5405356 C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)N)\NC(=O)C3=CC=CO3 1 0.952 2 5 0 -13.0743056737817 5405328 CCN\1C2=CC=CC=C2S/C1=C\C(=C(/C#N)\C(=O)OCC)\C 1 4.268 2 2 -1.60730598343631 5405326 CCN\1C2=CC=CC=C2S/C1=C\C=C(/C(=O)C)\C(=O)OCC 1 3.673 1 3 10.0001478402822 5405325 CCN\1C2=CC=CC=C2S/C1=C\C=C(\C(=O)C)/C(=O)OCC 1 3.673 1 3 10.0001478402822 5431409 CCC1=NN2C(=N)/C(=C/C3=C(N(N=C3C)C4=CC=CC=C4)Cl)/C(=O)N=C2S1 1 4.066 6 1 0 -12.3687097717392 5431398 C1=CC(=CC=C1N2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)/NC2=O)Cl 1 4.682 2 5 0 -0.589310365116533 5431369 CN1C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)NCC4=CC=CO4)/NC1=S 1 2.36 4 3 0 -16.9807036762526 5431364 CCCN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)OC)/NC1=S 1 4.089 2 5 0 -10.5471928731443 5431360 CC1=CC(=C(N1C(C)C)C)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=CC=C3F 1 3.048 3 2 -6.70652793771125 5405138 C1=CC=C2C(=C1)N/C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])/O2 1 3.454 2 3 0.136066564698893 5431230 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN/C=C/3\C=C(C=C(C3=O)OC)[N+](=O)[O-] 1 1.707 4 6 0 -4.99005363305869 5431227 COC1=CC=C/C(=C\NNC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)/C1=O 1 1.583 5 6 0 -7.08448201812968 5431171 CCOC(=O)C1=C(S/C(=C\C2=CC=C(O2)C)/C1=O)NC(=O)C3=CC=CC=C3C 1 3.766 1 5 -10.4438366639047 5431170 CN1/C(=C\C2=CC=CC=C2OCC3=CC(=CC=C3)F)/C(=O)N(C1=S)C 1 4.344 2 2 -0.586658476992297 5405032 CC(=C1C=CC(=O)C=C1)NNC(=O)COC2=CC=CC=C2 1 1.355 2 3 0 -6.20309276521435 5405022 C1=CC=C(C=C1)C\2=NN=C/C2=C\NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.773 5 3 0 -5.96187304912596 5404987 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=CC=C(C=C3)Cl)/C=N2 1 2.348 3 1 -0.535530819801432 5404907 C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC(=O)O 1 2.249 4 2 -16.4622224334028 5404921 CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)N(C)C)CC3=CC=CC=C3 1 3.203 3 1 -6.17781412611792 5404918 C=CCC1=CC=C/C(=C\NC2=CC=C(C=C2)Br)/C1=O 1 3.815 1 1 -5.99185555446742 5404843 CC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F 1 4.179 2 2 -8.62150848628243 5404839 C1CC1C(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 -0.158 3 4 0 -7.01653247684359 5404878 C1=CC=C2C(=C1)C(=CN2)C(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 1.042 4 4 0 -3.17543452950905 5404744 CC1=CC=C(C=C1)NCC(=O)N/N=C\2/C3=CC=CC=C3N(C2=O)C 1 2.117 4 2 -7.03407712834971 5404750 CC1=CC(=NN1)C(=O)NN/C=C\2/C=CC(=O)C(=C2)[N+](=O)[O-] 1 -0.233 5 4 0 -6.06479987381437 5404789 C1CCN(CC1)CCC(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 1.191 4 1 0 -2.26824253175412 5404708 CN1C=C(C(=C2N=C3C=CC=CC3=N2)N1)Cl 1 0.572 4 0 0 -3.32214827842964 5404703 COC1=CC(=CNNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C=C(C1=O)OC 1 0.277 3 6 0 -4.75917709500948 5404668 COC1=CC=C/C(=C\NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)/C1=O 1 2.213 2 3 -1.49663845325716 5404611 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)/C=N2 1 2.242 4 3 0 -2.13283912953337 5404589 CC1=C/C(=C\NNC(=O)C2=C(C=NN2)Br)/C(=O)C=C1 1 0.937 4 2 0 -6.21693563273765 5404579 CC1=NC=C(/C(=C/NNC(=O)C2=CC=C(C=C2)O)/C1=O)CO 1 -0.824 3 4 0 -1.80020550734158 5404576 C1CCN(CC1)CCNC(=O)C2=CN/C(=C\N=O)/C=C2 1 0.115 4 2 0 -8.18311017373847 5404465 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=CC(=CC=C3)Cl)/C=N2 1 2.348 3 1 1.79897072316336e-002 5404300 COC1=C/C(=C\NNC(=O)CCN2C3=CC=CC=C3N=N2)/C(=O)C=C1 1 0.605 5 3 0 -15.0867151230585 5404015 C1=CN=CC=C1C(=O)NN/C=C/2\C=C(C=C(C2=O)Cl)Cl 1 0.593 3 2 0 -3.08923866759333 5403998 CC1=C(C=CO1)C(=O)NN/C=C/2\C(=O)C=CC3=CC=CC=C32 1 1.306 2 3 0 -2.06623125808207 5403977 CCC1=NC2=CC=CC=C2C(=C1)C(=O)NN/C=C/3\C=CC(=O)C=C3O 1 1.604 3 3 0 -7.21957946189025 5403897 C1COC2=C(O1)C=CC(=C2)NN=C3C(=O)NC(=S)NC3=O 1 1.338 4 4 0 -12.6185917888286 5403895 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)N3CCCCC3 1 2.999 2 3 -16.7757301860599 5403890 C1=CC=C2C(=C1)C(=O)/C(=C/C3=CC=C(C=C3)O)/NC2=O 1 2.119 1 3 -1.79966497846461 5403839 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)C3=CC=C(C=C3)N 1 1.015 4 1 0 -3.85151181036109 5403833 C1=C/C(=C\NNC(=O)C2=CC=CS2)/C(=O)C(=C1)[N+](=O)[O-] 1 0.702 3 4 0 -7.99519462864611 5403822 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=CC=CS3)/C=N2 1 1.637 3 1 0 -4.49147260152722 5403792 C/C(=C\C1=CC=CS1)/C=C(C(=O)OC)C(=O)OC 1 2.836 0 4 -2.00174322384234 5403777 C1CCC2=C(C1)C(=C3C=CC(=O)C=C3)C(=C(N2)SCC(=O)N)C#N 1 1.846 3 2 0 -18.9680137462755 5403771 CC1=NC=C(/C(=C/2\C=CC(=CC2=O)OC)/N1)C3=CSC(=N3)C 1 0.324 3 2 0 -4.4437942458612 5403726 CC1=CC=[N+](C=C1)C\2=NC(=O)N(/C2=C/[O-])C3=CC=CC=C3 1 2.121 3 2 -3.51977822815348 5403695 C1=CC2=C(C(=C1)C(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-])NC=C2 1 1.042 4 4 0 -1.79020376046534 5403661 CC1=CC2=C(C(=O)N=C2C=C1)NNC(=S)N 1 0.678 4 1 0 -6.34215847548881 5403659 CC1=C(SC(=C1C#N)N/C=C/2\C(=O)C=CC3=CC=CC=C32)C 1 3.447 2 1 -6.03422448899415 5403619 COC1=CC=C(C=C1)C(=O)NN/C=C/2\C=C3C=CC=CC3=NC2=O 1 1.297 3 3 0 -6.45413617032826 5403556 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=CC=CC=C3O)/C=N2 1 1.442 3 2 0 0.142677574266029 5403494 COC1=CC(=O)/C(=C\2/C(=CN=CN2)C3=CC=CC=C3)/C=C1 1 1.101 2 2 0 -2.43460159199557 5403481 C1CN2C3=CC=CC=C3NC2=N1 1 0.977 3 0 0 -5.6551173497358 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CC1=CC(=CC(=C1)OC2=CC=CC=C2/C=C\C(=O)O)C 1 4.46 0 3 2.33396664233549 5399134 C1=CC=C(C(=C1)/C=C/C(=O)O)OC2=C(C=C(C=C2)Cl)Cl 1 4.816 0 3 4.06948727804546 5399133 CC1=CC=C(C=C1)OC2=CC=CC=C2/C=C/C(=O)O 1 3.974 0 3 3.41029992834159 5399131 COC1=CC=C(C=C1)OC2=CC=CC=C2/C=C/C(=O)O 1 3.471 0 4 2.85205714799789 5399122 C1=CC=C(C=C1)OC2=CC=CC=C2/C=C/C(=O)O 1 3.487 0 3 2.75365291936039 5399116 CN\1C2=CC=CC=C2N/C1=C(\C#N)/N=O 1 2.058 4 1 -6.30784429180525 5399107 CC1=CC=C(C=C1)/C=C/C(=O)CCC(=O)O 1 2.359 0 3 -3.89355274747101 5399102 C1COCCN1C(=O)/C=C/C2=CC=CC3=CC=CC=C32 1 2.307 1 2 -3.28044009686081 5399049 CC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC 1 1.978 0 4 0 -2.27384002620393 5399048 CN(C)/C=C/C(=O)/C=C/C1=CC=C(C=C1)Cl 1 2.847 1 1 2.11347147445905 5399040 CCOC(=O)/C(=C\C1=CN=CC=C1)/C#N 1 1.19 2 2 0 -8.55726162891155 5399020 C1=CC=C2C=C(C=CC2=C1)N3/C(=C/4\C=NC5=C4C=C(C=C5)Cl)/N=NN3 1 5.374 5 0 1.4923108619063 5399007 CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)N3CCOCC3)C 1 1.141 4 3 0 -17.8953637368014 5399006 CC1=CC(=NC2=C1C(=O)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C 1 3.665 4 3 0 -12.4519303701544 5398919 C1=CC=C(C=C1)C(=O)N/N=C\2/C3=CC=CC=C3C(=N2)N 1 1.805 4 1 0 -5.30752196956911 5398851 CCC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)O 1 3.352 0 4 -1.03581725127438 5398663 C1=COC(=C1)CNC(=O)C2=CC3=C(C=C(C=C3)O)OC2=O 1 1.591 1 5 0 -13.2353722609669 5398661 C1=CC=C(C=C1)S(=O)(=O)N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 2.252 1 3 -3.60704336412397 5398649 C1=CC=C(C=C1)C2=CC(=O)OC3=CC(=CC(=C23)O)O 1 2.894 0 4 3.40398093343243 5398631 CC(C)(C)C(=O)C(=C1NC2=CC=CC=C2N1)C#N 1 2.991 3 1 -8.35355395986292 5398596 CCC1=NNC(=S)N1N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 2.123 4 1 -5.48199353837505 5398581 CC1=NNC(=S)N1N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 1.457 4 1 0 -5.12726030961843 5398529 CN(C)/C=C/C(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2 1 2.827 1 3 -7.33291163463586 5398511 C=CCN(CC=C)CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)O 1 4.015 1 3 -3.37433087806078 5398509 CN(C)/C=C/C(=O)/C=C/C1=C(C=C(C=C1)Cl)Cl 1 3.511 1 1 4.26584371361977 5398508 CN(C)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3Cl)O 1 3.362 1 3 6.8558924775097 5398501 CN(C)/C=C/C(=O)C1=CC(=CC=C1)Cl 1 2.389 1 1 2.38240472857225 5398497 CN(C)/C=C/C(=O)C1=C(C=C(C=C1)Cl)Cl 1 3.053 1 1 2.92925362453448 5398495 CN(C)/C=C/C(=O)C1=CC=CC=C1 1 1.724 1 1 0 -0.112725640245315 5398493 CN(C)/C=C/C(=O)C1=CC(=CC=C1)C(F)(F)F 1 2.666 1 1 3.06132171389833 5398488 CCOC1=CC=C(C=C1)NC2=C(SC(=O)N2)C=C3C=CC(=O)C=C3 1 3.353 2 3 0.927040065997104 5398467 CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CN3CCCC3 1 3.303 1 3 2.68329912175705 5398465 CCN(CC)CC1=C2C(=CC(=C1O)Cl)C(=CC(=O)O2)C 1 3.539 1 3 0.403993642081462 5398459 CC1=CC(=O)OC2=C1C=CC(=C2CN3CCCC3)O 1 2.638 1 3 4.21082204011029 5398457 CC1=CC(=O)OC2=C1C=CC(=C2CN(CC(C)C)CC(C)C)O 1 4.561 1 3 1.45740151949862 5398356 COC1=CC(=O)/C(=C\2/C(=CNN2)C3=CSC=N3)/C=C1 1 -0.35 3 2 0 -4.22070127670272 5398245 C1=CC=C2C(=C1)/C(=C/3\C(=O)N=C(S3)NC4=CC=C(C=C4)O)/C(=O)N2 1 2.452 3 3 -8.9425095123895 5398241 C1=CC2=C(C(=O)N=C2C=C1)NNC(=O)C3=CC=CO3 1 0.51 3 3 0 -6.74006147093433 5398228 C1=CC=C2C(=C1)/C(=C/C3=CN=CC=C3)/C(=O)N2 1 1.58 2 1 0 -5.3016666332254 5398220 CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)O)C3=CC=C(C=C3)Cl 1 3.56 0 4 8.54580511526427 5398177 COC1=CC=CC=C1N2CCN(CC2)N/C=C\3/C=CC(=O)C(=C3)OC 1 1.188 3 3 0 0.740813742155149 5398113 C1C=C(N=C2N1NN=N2)C3=CC=CC=C3 1 1.975 5 0 0 -3.38189375864194 5398112 CO/C(=C/1\C(=O)C2=CC=CC=C2NC1=O)/O 1 0.995 1 4 0 -6.46889250382742 5398070 COC1=CC=C/C(=C\NN2CCN(CC2)CC3=CC=CC=C3)/C1=O 1 1.116 3 2 0 0.394280012534348 5398024 CC1=CC=CC=C1OCC(=O)N/N=C\2/C3=CC=CC=C3N(C2=O)C 1 2.291 3 3 -3.64464902616978 5397994 C1=CC=C2C(=C1)C(=O)/C(=C/NC3=CC=CC=N3)/C(=O)O2 1 1.993 2 3 0 -0.911455487810885 5397853 CC1=C/C(=C\2/C=C(NN2)C3=CC=C(C=C3)OC)/C(=O)C=C1 1 1.778 2 2 0 -2.06502437825604 5397785 CC1=CC(=NC2=NC(=NN12)C(=O)NNC=C3C=CC(=O)C=C3)C 1 8.4e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l 1 2.896 3 1 -6.80729828742869 5397168 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)NC3=CC=C(C=C3)Cl 1 2.896 3 1 -5.52675349624905 5397167 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)NC3=CC=CC=C3F 1 2.437 3 1 -7.8764591984644 5397166 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)NC3=CC(=CC=C3)Cl 1 2.896 3 1 -4.20714167859783 5397165 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)NC3=CC(=C(C=C3)F)F 1 2.643 3 1 -6.12017174642532 5397164 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)NC3=CC=C(C=C3)F 1 2.437 3 1 -6.63687516137062 5397121 CC1=CC=C(C=C1)N\2C(=C(C(=O)/C2=C\C3=CC=CS3)C(=O)OC)C 1 4.074 1 3 -8.41676145293249 5397113 CC1=CC2=C(C=C1)NC(=O)C(=C2)C=C3C(=O)NC(=S)NC3=O 1 1.632 3 3 0 -5.68768225483392 5397104 CC\1=NN(C(=O)/C1=C\C=C\C2=CC=CC=C2)C3=CC=CC=C3 1 3.502 2 1 3.36992603086201 5397103 CC1=C(C(=O)ON1)C=C2C=CC(=O)C=C2 1 0.579 1 3 0 -3.37608350850146 5397064 CN(C1=NS(=O)(=O)C2=CC=CC=C21)N/C=C/3\C=C(C=CC3=O)Cl 1 1.163 3 3 0 -3.95781350679457 5396993 CC1=CC(=C(C(=O)N1NC=C2C=CC(=O)C=C2)C#N)C 1 0.65 3 2 0 -3.02858009162102 5396873 CCOC1=CC(=O)/C(=C\2/C(=CNN2)C3=CC=C(C=C3)Cl)/C=C1 1 1.779 2 2 0 3.2534565573769e-002 5396832 C1=C/C(=C/NNC(=O)C2=CC=C(C=C2)Cl)/N=C1 1 1.041 3 1 0 -2.49096471700574 5396735 CCOC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\C(=O)NC(=O)N(C2=O)C 1 1.055 3 7 0 -4.18269993726966 5396716 CN(C)/C=C/C(=O)C1=CC=NC=C1 1 0.573 2 1 0 -0.131795909385681 5396674 C1=C/C(=C/2\NN=C(O2)C3=CC=C(C=C3)C(F)(F)F)/C(=O)C=C1 1 3.284 2 2 -2.41768305615766 5396660 CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)O 1 2.896 0 4 1.69998505455315 5396616 C1=C/C(=C/2\NN=C(O2)COC3=C(C=C(C=C3)Cl)Cl)/C(=O)C=C1 1 3.506 2 3 -5.63493214177767 5396615 C1=CC=C(C=C1)OCC2=NN/C(=C/3\C=CC=CC3=O)/O2 1 2.177 2 3 -7.49635861424718 5396610 C1=CC=NC(=C1)NC(=O)/C(=C/C2=CC=C(C=C2)F)/C#N 1 2.515 3 1 -9.48068820991305 5396607 CCC1=CC2=C(C=C1)NC3=C(C2=O)C(=CC(=N3)C)C 1 4.053 2 1 -4.09389209974203 5396602 CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)N3CCCCC3)C 1 2.37 4 2 -16.3270672870258 5396568 CC1=CC=C(C2=NC3=C4C(=NON4)CCC3=C12)C 1 1.547 3 1 0 -6.18933059139395 5396547 C1=CC=C(C=C1)COC2=CC(=O)/C(=C\3/C(=CNN3)C4=CC=CC=C4)/C=C2 1 2.35 2 2 -1.56558116951687 5396510 C1=CC(=CC=C1N/C=C/2\C=C(C=C(C2=O)Cl)Cl)Br 1 3.585 1 1 -0.222134847967051 5396454 CC1=NC2=C(C=CC=C2N/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C)C=C1 1 2.844 4 1 -4.67525456445293 5396404 C=CCC1=CC=C/C(=C\NC2=C(C=CC(=C2)Br)O)/C1=O 1 3.573 1 2 -1.4494837366653 5396399 CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)O)C 1 3.382 0 4 -0.774430412109913 5396368 C1=CC=C(C=C1)CN/C=C/2\C(=O)C=CC3=CC=CC=C32 1 2.879 1 1 -3.43287196644717 5396293 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)C4=CC=C(C=C4)Cl)O 1 3.769 1 3 2.81701495774628 5396243 CC\1=NN(C(=O)/C1=N/NC2=CC=C(C=C2)C#N)C3=CC=CC=C3 1 2.702 5 1 -7.0984969434004 5396216 CCC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)O 1 3.352 0 4 0.202302642338741 5396132 CC\1=NOC(=O)/C1=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3F)OC 1 3.469 1 4 -1.687358260902 5396125 CCOC1=C/C(=C/NNC(=O)CCC2=NNC(=O)NC2=O)/C=CC1=O 1 -1.486 5 5 0 -24.1118556444079 5396087 CN1C(=O)/C(=C/C2=CC=CC=C2OCC3=CC=CC=C3F)/NC1=S 1 3.808 2 2 -3.22344138024092 5396083 CN1C(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=CC=C3F)/NC1=S 1 3.808 2 2 -4.13652599773405 5396081 CN1C(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)/NC1=S 1 3.808 2 2 -2.5489053494018 5396067 C1=COC(=C1)CN2C(=C3C=CC(=O)C=C3)NNC2=S 1 2.284 3 2 -2.53996900268119 5395997 CN(C)CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O 1 3.209 1 3 7.73004787561127 5395984 COC1=CC(=C(C=C1)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O)OC 1 2.572 1 5 -6.09516821100383 5395977 COC1=CC=C(C=C1)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O 1 2.589 1 4 -3.6148706348306 5395920 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)O 1 3.606 0 4 7.68119050024777 5395953 CC\1=NOC(=O)/C1=C/C2=CC(=C(C=C2)OC)Br 1 2.445 1 3 2.90785183590358 5395944 COC1=CC=C(C=C1)NC2=NNC(=C3C=CC(=O)C=C3)C4=CC=CC=C42 1 2.746 3 2 -4.92730448956198 5395941 C1=CC2=C(C(=C1)SCC(=O)NNC=C3C=CC(=O)C=C3)N=CC=C2 1 1.586 3 2 0 -6.53168861225033 5395896 CC1=CC(=O)/C(=C/NC2=NC=C(C=C2)Cl)/C(=O)O1 1 1.113 2 3 0 -1.54726962662567 5395885 CC1=C(/C(=C/C2=CC=CS2)/C(=O)N1)C(=O)OC 1 1.437 1 3 0 -9.60414933736549 5395811 C1=CC=C2C(=C1)C(=CN2)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F 1 3.146 3 3 2.73614826599027 5395762 CC1=CC(=NN1C2=NN=C(N2N/C=C/3\C=CC=CC3=O)C)C 1 0.825 6 1 0 -9.55519424192831 5395801 CC\1=NN(C(=O)/C1=N/NC2=CC=CC=C2)C3=CC=CC=C3 1 2.824 4 1 -4.92244339415131 5395795 CC1=C(C(=O)N=N1)NNC2=CC=C(C=C2)F 1 2.146 4 1 -3.86706352142694 5395786 CC1=CC(=O)N(C(=C1)C)N/C=C/2\C=CC=CC2=O 1 0.81 2 2 0 -4.14890202902257 5395778 CC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)O 1 2.896 0 4 0.441740778117826 5395545 CCN(CC)N/N=C\1/C2=C(N=C(C=C2C)C)N=N1 1 2.578 6 0 -4.96796520272123 5395514 COC(=O)CC1=CC(=O)OC2=C1C=CC(=C2)O 1 1.508 0 5 0 -6.52650431367842 5395500 CC1=C/C(=C\2/C=C(NN2)C3=CC=CC=C3[N+](=O)[O-])/C(=O)C=C1 1 1.689 3 3 0 -4.73907426066058 5395494 C1CN2CCC1C3=C2SC(=C3C#N)N/C=C/4\C=CC(=O)C=C4O 1 1.884 3 2 0 -5.31933792966549 5395490 COC1=CC(=CNS(=O)(=O)C2=CC=CC=C2)C=C(C1=O)OC 1 0.577 1 5 0 -2.19880337236178 5395489 COC1=CC(=CNS(=O)(=O)CCC2=CC=CC=C2)C=C(C1=O)OC 1 0.905 1 5 0 -1.9751829252003 5395429 CCOC(=O)C1=C(SC(=C1C)C)N/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 2.463 2 5 0 -12.0832645604021 5395428 CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3)C 1 2.824 4 2 -15.0677627903428 5395344 C1CN/C(=C/2\C=CC=CC2=O)/C=C(N1)C(F)(F)F 1 0.938 2 1 0 -5.239442381377 5395283 CC1(CC2=C(CO1)C=C3C(=N2)NC(=S)N(C3=O)C4=CC=CC=C4)C 1 3.238 3 2 -11.1511806043243 5395275 CC1=CC=C(O1)C2=CC(=NN2)C(=O)NN/C=C/3\C=CC=CC3=O 1 1.229 4 3 0 -1.23015075974933 5395118 C1=CC=C(C=C1)CCNC(=S)NN/C=C/2\C=CC=CC2=O 1 2.459 3 1 -9.42240390569271 5395114 C1=COC(=C1)CNC(=S)NNC=C2C=CC(=O)C=C2 1 1.32 3 2 0 -7.55034167290393 5395068 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)C3=NNC(=C3)C4=CC=CS4 1 2.398 5 1 -3.41487308536659 5395061 CC1=CC(=C(C=C1)C)OC2=COC3=C(C2=O)C=CC(=C3)O 1 3.382 0 4 0.898863958326046 5394887 CC1=N/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)O1 1 1.615 1 4 0 -10.4912028748271 5394858 C1=CC=C2C(=C1)C(=O)/C(=C/NC3=NC=CC=N3)/C(=O)O2 1 0.875 3 3 0 -4.4575373568631 5394853 C1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)/C=C/C(=O)O 1 3.043 2 2 1.42781089460131 5394782 CC1=NC2=C(N1)C=C(C=C2)C(=O)NN/C=C/3\C=CC=CC3=O 1 0.783 4 2 0 -8.0335724360147 5394779 CC1=NC2=C(N1)C=C(C=C2)C(=O)NNC=C3C=CC(=O)C=C3 1 0.783 4 2 0 -5.35897800114436 5394613 CC1=CC(=NC2=C1C(=O)N=CN2)C 1 0.907 3 1 0 -4.73261148145416 5394402 C1=CC2=NN(N=C2C=C1)CC(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 0.366 6 4 0 -6.93184245556029 5394375 CCC1=C/C(=C(\CC2=CSC(=N2)C)/NO)/C(=O)C=C1O 1 1.273 2 3 0 -3.15199083545109 5394373 CC1=C(/C(=C/2\C=CC(=CC2=O)OC)/NN1)C3=CSC=N3 1 0.164 3 2 0 -7.05227923363951 5394370 CC1=C(/C(=C/2\C=CC(=CC2=O)OC)/ON1)C3=CSC=N3 1 0.502 2 3 0 -5.93804406350844 5394368 CCN(CC)C1=CC=C(C=C1)N/C=C/2\C=CC(=CC2=O)N(CC)CC 1 3.427 3 1 -7.49497273725489 5394360 CC1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC4=C(C=C3)OCCCO4 1 2.744 0 6 1.08777386610118 5394341 COC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.705 1 5 -9.35532969985735 5394308 CC1=NC2=C(N1)C=C(C=C2)C(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 0.525 5 4 0 -7.75801302345783 5394298 CCOC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 3.181 2 5 0 -11.7791532573868 5394257 CC1=NC(=CS1)C\2=CNN/C2=C\3/C=CC(=O)C=C3O 1 -0.315 3 2 0 -2.47466275831432 5394180 COC1=CC=C/C(=C\NC2=CC=CC3=C2C(=O)NNC3=O)/C1=O 1 -2.e-003 3 4 0 -5.51338137582011 5394174 CC1=C(OC(=C1C#N)N/C=C\2/C=C(C(=O)C(=C2)Br)OC)C 1 1.978 2 3 0 1.07203596111439 5394125 COC1=C/C(=C/NNC(=O)CCC2=CC=CC=C2)/C=CC1=O 1 1.185 2 3 0 -6.46155939505998 5394052 CC1=CC=C(C=C1)N/C=C/2\C=C(C=C(C2=O)Cl)Br 1 3.406 1 1 -0.264105612441744 5394051 CC1=CC(=CC=C1)N/C=C/2\C=C(C=C(C2=O)Cl)Br 1 3.406 1 1 1.24088163175868 5393965 CN(C)C1=CC(=O)/C(=C(/NC2=CC=CC=C2)\S)/C(=C1)N(C)C 1 2.682 3 1 -0.90975433504086 5394017 COC\1=CC(=O)C=C/C1=C\NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.589 3 5 0 -5.22722014235765 5393994 C1=C/C(=C\NNC(=O)C2=CC=NC=C2)/C(=CC1=O)O 1 -0.682 3 3 0 -4.28070257936441 5393986 C\1=CC(=O)C(=C/C1=C\NNC(=O)C2=CC=NC=C2)[N+](=O)[O-] 1 -0.402 4 4 0 -5.09039146869901 5393979 C1=CC=C2C(=C1)C=CC=C2N/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 2.75 2 3 -2.37465764725495 5393978 C1=CC=C2C(=C1)C=CC=C2N/C=C/3\C=CC=CC3=O 1 3.007 1 1 -2.65021705981182 5393901 C1=CSC(=N1)N/C=C/2\C=C(C=C(C2=O)Cl)Cl 1 1.361 2 1 0 -1.88247728108202 5393881 CC1=C/C(=C\2/C=C(NN2)C(F)(F)F)/C(=O)C=C1 1 1.218 2 1 0 -2.09335149035092 5393865 CC1=C/C(=C\2/C=C(NCCN2)C(C(F)F)(F)F)/C(=O)C=C1 1 1.382 2 1 0 -8.36174348241441 5393864 C1CN/C(=C/2\C=CC=CC2=O)/C=C(N1)C(C(F)F)(F)F 1 0.935 2 1 0 -8.14236572304046 5393861 CC1=C/C(=C\2/C=C(NCCN2)C(F)(F)F)/C(=O)C=C1 1 1.385 2 1 0 -5.45882014075095 5393818 COC1=CC=CC=C1NCC(=O)NN/C=C/2\C(=O)C=CC3=CC=CC=C32 1 1.701 3 3 0 -5.80223346399045 5393734 C1=CC(=CC=C1N/C=C/2\C=C(C=CC2=O)Cl)Br 1 3.216 1 1 -1.9044363565421 5393701 COC1=C(C=C(C=C1)N/C=C/2\C=C(C=CC2=O)Cl)Cl 1 3.116 1 2 -4.30337747009095 5393564 C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)NN/C=C/3\C=CC=CC3=O 1 2.125 3 2 -6.73244112630663 5393409 C1COC2=C(O1)C=CC(=C2)C(=O)NN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 0.534 3 6 0 -8.75805595789555 5393217 C1COC2=C(O1)C=CC(=C2)N/C=C/3\C=C(C=C(C3=O)Cl)Cl 1 2.622 1 3 -5.37200282141145 5393176 C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2=O 1 3.136 0 3 6.27990092437302 5393174 COC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2=O 1 3.12 0 4 6.34145113154408 5393160 COC1=C(C=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2=O)OC 1 3.103 0 5 1.87288690812385 5393158 CC1=C(C(=O)OC2=C1C=CC(=C2)O)C3=CC(=C(C=C3)OC)OC 1 3.549 0 5 -1.06281390730811 5393041 COC1=C/C(=C/NNC(=O)CCC2=NNC(=O)NC2=O)/C=CC1=O 1 -1.834 5 5 0 -22.169176784118 5392808 CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)C3=CC=C(S3)[N+](=O)[O-] 1 3.444 4 3 0 -4.91217753556634 5392745 CC1=CC(=O)N(C(=C1)C)N/C=C/2\C=C(C=C(C2=O)Cl)Cl 1 1.548 2 2 0 -1.1323473016471 5392656 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)C3=NNC(=C3)C(C)C 1 1.909 5 1 0 -2.47171661439104 5392621 CCOC1=CC=C(C=C1)N\2C(=NC(=O)/C2=N/NC3=CC=CC=C3)C 1 3.157 4 2 -4.5254007801039 5392463 CC1=CC(=C(C=C1)OCC(=O)NNC=C2C=CC(=O)C=C2)[N+](=O)[O-] 1 1.222 3 5 0 -5.61526068480883 5392294 C1=CC=C(C(=C1)CN\2C3=CC=CC=C3N/C2=C\4/C=CC=CC4=O)O 1 4.031 2 2 -1.6182513190093 5392245 CN1CC[C@@]23[C@@H]4NC5=CC=CC=C5[C@@]2([C@@H]1NC6=CC=CC=C36)CCN4C 1 3.182 4 0 -0.470063452690238 5392139 CC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O 1 1.348 0 4 0 -5.96386555969482 5392010 C1COCCN1CC2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)O 1 2.469 1 4 1.96075495318412 5392003 CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)O 1 2.711 1 3 1.06637271580506 5391980 CCN(CC)C1=CC=C(C=C1)N/C=C/2\C=C(C=CC2=O)Br 1 3.411 2 1 -7.88661560168101 5391921 CCOC(=O)C1=C(SC2=C1CCC2)N/C=C/3\C=CC(=O)C=C3O 1 2.479 1 4 -12.8433115554363 5391770 CCC1=C(C=C2C(=C1)C(=O)C(=CO2)N3C=NC4=CC=CC=C43)O 1 3.09 2 3 2.33600069946519 5391769 CC1CCN(CC1)C(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 3.369 2 2 -21.4960859115186 5391734 C1=CC=C(C=C1)CCC(=O)NN/C=C\2/C=CC3=CC=CC(=O)C3=N2 1 1.553 3 2 0 -10.0061263636061 5391731 CCOC(=O)COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O 1 2.933 0 6 -4.94281283059551 5391705 C1=CC=C(C=C1)CCN/C(=C\2/C(=O)C3=CC=CC=C3NC2=O)/O 1 2.447 2 3 -9.01108892488622 5391637 C1=CC=C(C=C1)C2=C(C(=O)ON2)C=C3C=CC(=O)C=C3 1 1.814 1 3 0 -1.12096595603901 5391360 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)C3=CC=CO3 1 1.157 3 2 0 -4.75975884462319 5391351 CC(=O)NC1=C/C(=C/2\NC3=CC=CC=C3S2)/C(=O)C=C1 1 1.893 2 2 0 -6.22647592911012 5391326 CCN1C2=CC=CC=C2C(=O)/C(=C(\O)/OCC)/C1=O 1 1.899 1 4 0 -1.94692888617839 5391297 CCO/C(=C/1\CN(C(=O)C1=O)C2CCCCC2)/O 1 1.887 1 4 0 -5.24338871253159 5391237 CC\1=C(C(=O)N(C(=O)/C1=C\NC(=O)C)C)C#N 1 -0.881 3 3 0 -3.60088659901712 5391173 CC1=C(C=C2C(=N1)NC(=S)N2)Br 1 2.483 3 0 -2.91797689369398 5391089 CC1=CC(=O)OC2=C1C=CC(=C2CN(C)CC3=CC=CC=C3)O 1 3.761 1 3 5.33768054719705 5391088 CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3CN(C)C)O)C 1 3.456 1 4 2.00025229633285 5391068 CC1=C(/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)N1)C(=O)OC 1 1.252 1 5 0 -12.4593958825082 5390934 CC(=O)N/C(=C/C1=CNC2=CC=CC=C21)/C(=O)OC 1 1.271 2 3 0 -3.78686403537553 5390892 C1=C/C(=C/NNC(=O)C2=CC(=CN=C2)Br)/N=C1 1 -2.5e-002 4 1 0 -4.05840296380434 5390768 CC(=C1C(=O)NC(=O)NC1=O)NNC(=O)C2=CC=NC=C2 1 -1.524 5 4 0 -12.2091982754186 5390688 CC1=CC=CC(=C1)C\2=NOC(=O)/C2=C\C3=CC=CC=C3F 1 4.078 1 2 7.96528110427439 5390669 CC1=CC=C(C=C1)S(=O)(=O)NN/C=C/2\C=CC=CC2=O 1 1.196 2 3 0 -6.03050435305663 5390600 CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C/3\C=NN=C3C4=CC=CC=C4 1 2.773 4 1 -4.22836262926185 5390274 C1=C(C=NN1)C2=C(C(=C3C=NN=C3)NN2)[N+](=O)[O-] 1 -1.346 7 2 0 -7.79968210784953 5390097 CC1=C(C(N2C(=N1)N=CN2)C3=CC=CS3)C(=O)NC4=C(C=CC(=C4)OC)OC 1 1.389 5 3 0 -18.4107645479326 5390095 C1CN(CCC12N=C(N=C3N2C4=CC=CC=C4N3)N)CC5=CC=CC=C5 1 2.396 6 0 3.4167382180581 5390094 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=CC(=C(C=C3)OC)Cl)/C(=O)C(=C1)C 1 2.155 3 3 -5.90002630139858 5390093 CC1=CC=C(C=C1)C2N=C(N=C3N2C(=O)C=C(N3)C)NC4=CC=C(C=C4)C 1 3.513 5 1 -6.80602250530846 5390092 CC1=C(C(N2C(=N1)N=CN2)C3=CC=CC=C3)C(=O)OCCOC 1 0.515 4 3 0 -17.8218708243418 5390091 C1=C/C(=C\2/C3=C(C(=O)N(C3C4=CC(=CC=C4)Cl)CC5=CC=CO5)NN2)/C(=O)C=C1 1 1.999 3 3 0 -9.96977291033284 5390090 CC1=CC=C(C=C1)NC2=NC(N3C(=O)C=C(NC3=N2)C)C4=CC=C(C=C4)O 1 3.431 5 2 0 -4.09982945195177 5390089 C1CC(OC1)CN2C(C\3=C(C2=O)NN/C3=C/4\C=CC=CC4=O)C5=CC=C(C=C5)F 1 1.134 3 3 0 -14.4152702334191 5390088 CC1CC2=C(C(N3C(=N2)N=CN3)C4=CC=CC=C4)C(=O)C1 1 1.135 4 1 0 -11.5519483425716 5390086 CCC1=CC(=O)OC2=C(C(=C(C=C12)CN(C)C)O)C 1 3.12 1 3 2.15950768530502 5390085 CC1=C/C(=C\2/C=C(NN2)C(=O)NC3=CC(=C(C=C3)OC)Cl)/C(=O)C=C1 1 1.709 3 3 0 -7.13784157785318 5390084 CC1=CC=C(O1)C2C(=C(N=C3N2NC=N3)C)C(=O)NCC4=CC=CC=C4 1 1.662 5 2 0 -17.6608864627733 5390083 CC1=CC(=O)/C(=C\2/C=C(NN2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)/C=C1 1 0.154 5 3 0 -16.9529115447583 5390082 CCC1=CC(=O)OC2=C(C(=C(C=C12)CN3CCCCC3)O)C 1 4.037 1 3 1.69637875483511 5390081 CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)CC)O 1 2.94 2 3 -1.83318152733031 5390080 CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CCN(C)C)C4=CC=CC=C4F)/O 1 3.156 2 4 -9.7709145172445 5390079 CC1=C(C(N2C(=N1)N=CN2)C3=CC=CC=C3OC)C(=O)NCC4=CC=CC=C4 1 1.566 5 2 0 -16.283633154186 5390078 CC1=CC=C(O1)C2C(=C(N=C3N2NC=N3)C)C(=O)NC4=CC=CC=C4 1 1.655 5 2 0 -16.0016575204197 5390076 C1CN2C(CN1C3=CC=CC=C3)[C@]4(CC5=CC=CC=C52)C(=O)NC(=O)N(C4=O)C6=CC=CC=C6 1 4.19 4 3 0 -3.60562637347814 5390074 CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3/C(=C\NCCCN4CCOCC4)/C2=O 1 2.247 3 3 -9.24746568995802 5390073 C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4)C5=CC=CS5)C(=O)C1 1 3.594 4 1 -17.9701815206214 5390072 CN1C2=C(C(=O)N(C1=O)C/C=C/C3=CC=CC=C3)N4CCCN(C4=N2)CC5=CC=CC=C5 1 3.499 5 2 0 -6.25558192022581 5390071 CC1=C(C(=O)/C(=C/2\C=C(NN2)C(=O)NCC3=CC4=C(C=C3)OCO4)/C=C1)C 1 1.282 3 4 0 -9.43858419195504 5390069 CC1=C/C(=C\2/C=C(NN2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)/C(=O)C=C1C 1 1.803 3 4 0 -11.0042727608314 5390068 CCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC(=CC(=C3)F)F)SCC(=O)OC)C 1 2.393 4 4 0 -22.1812253543905 5390067 CC1=C(C(N2C(=N1)N=CN2)C3=CC(=CC=C3)OC)C(=O)NCC4=CC=CC=C4 1 1.566 5 2 0 -14.8210860431878 5390066 CC1=C(C(N2C(=N1)N=CN2)C3=CC=CS3)C(=O)NC4=CC=CC=C4OC 1 1.406 5 2 0 -19.3785630964985 5390065 CCO/C(=C/1\C(N(C(=O)C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C3=C(C=C(C=C3)OC)OC)/O 1 1.89 2 8 0 -12.8104923350561 5390064 CCCC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)N(C)C)C(=O)OCC 1 2.137 5 2 0 -13.3035023432215 5390063 C1=C/C(=C\2/C3=C(C(=O)N(C3C4=CC=C(C=C4)F)CC5=CC=CO5)NN2)/C(=O)C=C1 1 1.54 3 3 0 -9.9005008009572 5390061 C1CC(OC1)CN2C(C\3=C(C2=O)NN/C3=C/4\C=CC=CC4=O)C5=CC(=CC=C5)Cl 1 1.593 3 3 0 -14.3871481162699 5390060 C1C(N=C2C(=CNN2C1C(F)(F)F)C(=O)N)C3=CC=C(C=C3)F 1 0.88 4 1 0 -1.88164664923135 5390059 CCC1=CC2=C(C=C1)NC(=O)[C@]23[C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)CC6=CC=CC=C6 1 2.697 3 3 -2.36317717898612 5390058 CC1=C(C(N2C(=N1)N=CN2)C3=CN=CC=C3)C(=O)NCC4=CC=CC=C4 1 0.432 6 1 0 -15.3998327202762 5390057 CCN1C(=O)/C(=C/NN2C=NN=C2)/SC1=S 1 6.e-003 5 1 0 -7.51318904639267 5390056 COC1=C(C=C(C=C1)CCNC(=O)C2=C/C(=C\3/C=CC=CC3=O)/NN2)OC 1 0.91 3 4 0 -12.7083679706991 5390055 C1=CC=C2C(=C1)[C@]3([C@H]4[C@@H]([C@@H](N3)CC(=O)N)C(=O)N(C4=O)C5=C(C=CC(=C5)C(F)(F)F)Cl)C(=O)N2 1 1.459 4 4 0 0.910039318298676 5390054 CC1=CC=CC=C1NC(=O)C2=C(N=C3N=CNN3C2C4=CC=C(C=C4)C(=O)OC)C 1 1.917 5 3 0 -18.9806966734129 5390053 COC1=C(C=C(C=C1)C2C3=C(CCCC3=O)N=C4N2NC(=N4)SCC5=CC=CC=C5)OC 1 4.361 4 3 0 -20.6317242343182 5390052 COCCCN1C(C\2=C(C1=O)NN/C2=C\3/C=CC=CC3=O)C4=CC=C(C=C4)Cl 1 1.166 3 3 0 -11.4738407888936 5390051 CC1=CC(=C(C=C1)NC2=NC(N3C(=O)C=C(NC3=N2)C)C4=CC=CO4)C 1 3.56 5 2 0 -11.2685900449019 5390050 CC1=C/C(=C\2/C=C(NN2)C(=O)NCC3=CC4=C(C=C3)OCO4)/C(=O)C=C1C 1 1.282 3 4 0 -9.01336332074792 5390049 C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3CN4CCOCC4)O 1 2.396 1 4 -0.987495473596704 5390048 CCSC1=NC2=NC3=C(C(N2N1)C4=CC(=CC=C4)F)C(=O)CCC3 1 3.364 4 1 -13.600190593189 5390047 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CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NOC(=C3)C)C4=CC(=CC=C4)Cl)/O 1 4.242 2 4 -7.68276378030304 5389899 COC1=C(C=C(C=C1)CC(=O)NC2=NC3=NC(=O)CC(N3N2)C4=CC=CC=C4)OC 1 2.452 5 4 0 -10.5118094534658 5389898 CCN(CC)CCCN1C(/C(=C(/C2=C(N=C3N2C=CC=C3)C)\O)/C(=O)C1=O)C4=CC=C(O4)C 1 2.16 4 4 0 -11.621855285714 5389897 CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCN(CC3)CCO)C4=CC=CC=C4OC 1 2.613 2 5 0 8.50363766412503 5389896 C1C(N2C(=NC1=O)N=C(N2)NC(=O)CCC3=CC=CC=C3)C4=CC=CC=C4 1 2.295 5 2 0 -9.0648295693827 5389895 C1CCC2=C(C1)C(=O)N/C(=C/3\C=CC=CC3=O)/N2 1 1.449 2 2 0 -12.1939311520299 5389894 COCC(=O)NC1=NC2=NC(CC(N2N1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC 1 2.946 5 3 0 -1.88800929086485 5389893 CC(C)OC1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)F)/O)/C(=O)C(=O)N2CCCN(C)C 1 3.492 2 4 -6.05034448220541 5389892 C1COCCN1CCCN/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F 1 0.556 4 4 0 -10.0046248869508 5389891 C/C(=C\CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)/Cl 1 1.424 5 2 0 -5.64230352879823 5389890 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C/C(=C\CN1C(=O)C2=C(N=C3N2CCS3)N(C1=O)C)/Cl 1 1.987 4 2 0 -8.5228759678713 5389038 CC1=NC(=CS1)C\2=CN=CN/C2=C\3/C=CC(=CC3=O)OC 1 0.246 3 2 0 -4.19203155312017 5389037 CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC=N3)O 1 2.451 1 3 1.57387617402316 5389036 CCOC(=O)C(C)SC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C 1 2.503 4 4 0 -12.5756242719643 5389035 C/C=C/CN1C2=C(N=C1Br)N(C(=O)NC2=O)C 1 1.698 4 2 0 -6.74228059229056 5389034 CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2C)O)C3=CSC=N3 1 2.429 1 5 -4.61995270991478 5389033 C1COC2=C(O1)C=CC(=C2)C3=C(OC4=CC(=CC(=C4C3=O)O)O)C(F)(F)F 1 3.34 0 6 4.56912845279074 5389032 CC1(CC2=C(CO1)C=C3C(=N2)NC(=S)N(C3=O)CC=C)C 1 2.278 3 2 -15.6115578973674 5389031 C/C(=C\1/C(=O)COC1=O)/NC2=C(C=CC(=C2)OC)OC 1 1.351 1 5 0 -6.58250700344403 5389030 CC1=CC(=CC2=C1C(=O)C(=C(O2)C)C3=CN(N=C3)C4=CC=CC=C4)O 1 3.851 2 3 4.756687442014 5389029 C1CCN(CC1)C(=O)C\2=NSN/C2=C\3/C=CC=CC3=O 1 1.257 3 2 0 -10.1799715592491 5389028 CC1=CC=C(C=C1)N/C=C\C(=O)C2C(=O)CC(CC2=O)(C)C 1 2.437 1 3 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CCC(=O)O[C@@H]1CC(=O)O[C@@H](CC=CC=C[C@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C 1 2.916 1 15 0 -13.0086287725009 5388960 C[C@H]1CCC[C@H](CCC(=O)O[C@]23[C@@H](C=CC1)[C@@H](C(=C)[C@H](C2[C@@H](NC3=O)CC4=CC=CC=C4)C)O)O 1 3.988 1 5 -6.38396404595106 5388959 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)Cl)C)O 1 3.237 0 5 -5.92343678921808 5388563 CC(=O)/C(=C/C1=CC=C(C=C1)N(C)C)/C(=O)C2=CC=CC=C2 1 3.554 1 2 -3.66171626964997 5388531 C1C/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)C3=CC=CC=C31 1 4.157 1 3 4.36168378480573e-003 5388496 C1C2C(C(C(C(O2)O)O)O)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C5C6=C4C(=O)OC7=C(C(=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C67)C(=O)O5)O)O)O)O)O)O)O 1 1.082 0 22 0 -1.35240652914135 5388361 CC1=CC(=O)/C(=C(\C)/NNC(=O)C2=CC=CC=C2O)/C(=O)O1 1 0.712 2 5 0 -5.6240593070661 5387694 C1=CC(=O)C=CC1=C2NC(=S)NN2 1 0.983 3 1 0 -3.70018770394506 5387168 C1=CC=C(C=C1)C2=C/C(=C\3/C=CC=CC3=O)/NC(=N2)N 1 1.552 3 1 0 -5.83000148559917 5386997 C1/C(=C\C2=CC=C(C=C2)C(=O)O)/C(=O)C3=CC=CC=C3O1 1 3.029 0 4 1.92434231876849e-002 5386665 CC\1=NOC(=O)/C1=C/C2=CC3=C(C=C2)OCO3 1 1.481 1 4 0 1.56495059431608 5386571 CC\1=NOC(=O)/C1=C/C2=CC=CC=C2OC 1 1.696 1 3 0 4.06092015468171 5386389 CC1CN2/C(=C/3\C=CC=CC3=O)/NN=C2S1 1 1.634 3 1 0 -10.7881240190141 5386459 CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3 1 3.001 2 3 -9.03512092328332 5386458 CC\1=NN(C(=O)/C1=C/C2=C(C=C(C=C2)OC)OC)C3=CC=CC=C3 1 3.001 2 3 -3.38780821216479 5386456 CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)OC)C3=CC=CC=C3 1 3.018 2 2 -4.81633582701611 5386259 COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC 1 2.591 0 5 2.43785723415978 5386038 C1=CC(=CC=C1C(=O)O)NC=C2C(=O)NC(=O)NC2=O 1 -0.165 3 5 0 -10.7887062802056 5386020 CCN(CC)C1=CC=C(C=C1)NC=C2C(=O)NC(=O)NC2=O 1 1.065 4 3 0 -12.8708245617305 5385994 CC(=N/N=C(\N)/SCC1=CC=CC=C1)C 1 2.165 3 0 -2.5630993795306 5385255 C1=CC=C(C=C1)NN=C2C=CC(=O)C(=O)C=C2 1 2.423 2 2 -2.58512368939375 5385177 CC1=CC=C(C=C1)NNC2=C3C(=NN=N3)C=CC2=O 1 2.489 5 1 -2.13607399911218 5384874 C1=CC=C2C(=C1)NC(=C(S2)N=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.972 3 3 -3.02349209518079 5384829 COC1=C(C=C(C=C1)/C=C/2\CCN3C2=NC4=CC=CC=C4C3=O)OC 1 3.169 2 3 -8.73552599414512 5384532 C1=CC2=C(C3=C1NC=C3)C(=NC(=N2)N)N 1 1.248 5 0 0 -0.444114920166356 5384461 C1CN2C(=C3C1=NNC3=O)C4=CC=CC=C4C2=O 1 5.1e-002 3 2 0 -9.44631044869344 5384447 C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2NC(=C5C=CC=CC5=O)N4 1 4.152 2 1 -4.02959428968114 5384380 C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C(F)(F)F)N/C=C/4\C=C(C=C(C4=O)Cl)Cl 1 5.599 2 1 1.29435341744884 5384178 CNC(=S)NNC1=C2C=CC=CC2=NC1=O 1 0.664 4 1 0 -9.74645443127675 5384164 C1C/C(=C\C2=CC=CC=C2)/C3=C(C1)C(NC(=S)N3)C4=CC=CC=C4 1 5.217 2 0 -15.1777252374942 5384123 CC(C)(C)C1=CC(=CNO)C=C(C1=O)C(C)(C)C 1 2.701 1 2 0.325771368594258 5383969 CC1=C(C(CCC1)(C)C)/C=C/C(=O)O 1 3.254 0 2 7.56322434354435 5383857 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)/C=C/C(=O)O 1 3.262 1 4 -5.14933689298131 5383687 C12=C(N=C(C(=N1)Cl)Cl)N=C(N2)C(=O)O 1 1.222 4 2 0 -2.17536317255203 5383615 C1=CC(=CC(=C1)C(F)(F)F)C2=NC3=C(N2)N=C(C(=N3)Cl)Cl 1 4.053 4 0 7.49406362349731 5383605 C1=CC(=O)C=CC1=CNNC(=O)C2=CC=NC=C2 1 -0.144 3 2 0 -3.43119896009847 5383584 C1=CC(=O)C=CC1=C2NNC(=C3C=CC(=O)C=C3)NN2 1 0.219 4 2 0 -1.80568824482952 5383583 C1=CC(=O)C=CC1=C2NNC(=C3C=CC(=O)C=C3)N=N2 1 2.044 4 2 -3.27952910916366 5383372 C(C1=NC2=C(N1)N=C(C(=N2)Cl)Cl)O 1 0.775 4 1 0 -1.56186486474056 5382940 COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCO3)OC 1 3.437 0 5 -5.36226863635711 5382860 CC1=CC=C(C=C1)N2C(=O)C(=CN)C(=O)N(C2=O)C3=CC=C(C=C3)C 1 2.456 3 3 -3.2576982473994 5382840 CCOC(=O)/C=C/1\NC(=O)CS1 1 0.487 1 3 0 -8.70200141779442 5382671 C1=CC=C(C=C1)N2C(=O)C(=CN)C(=O)N(C2=O)C3=CC=CC=C3 1 1.484 3 3 0 -3.51900144254163 5382282 C1=C/C(=C\2/NC(=NC(=N2)N)N)/C(=O)C=C1 1 0.147 5 1 0 -5.7875393185415 5382140 C1=CC(=CC=C1NNC2=CC(=O)C(=O)N=C2)S(=O)(=O)N 1 -0.346 4 4 0 -6.3687610824818 5381837 CC1=CC=C(C=C1)N/N=C/2\C(=NN(C2=O)C(=S)N)C 1 2.175 5 1 -2.00034254923352 5381836 CC\1=NN(C(=O)/C1=N/NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)N 1 2.248 6 3 0 -1.9503776262027 5381794 CCOC(=O)NNC=C1C=C(C(=O)C(=C1)OC)OC 1 -0.29 2 5 0 -1.34713565137723 5381793 CCOC(=O)NN/C=C/1\C=NC2=CC=CC=C21 1 1.011 3 2 0 -2.3713622748076 5381702 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC=O 1 0.314 2 2 0 0.443983490414204 5381405 CC1=CC=CC=C1NNC2=C3C=CC=CC3=NC2=O 1 2.367 3 1 -4.01019024861065 5381321 CCOC(=O)CC1=C(C2=C(C=C(C=C2OC1=O)O)O)C 1 2.061 0 6 -7.07665342352626 5381220 C1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C4=C3CCCC4)O 1 4.082 1 3 1.04820042856587 5381219 C1CCC2=C(C1)C3=C(C(=C(C=C3)O)CN4CCOCC4)OC2=O 1 2.852 1 4 -1.29630559448137 5381190 C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)CCCCO 1 2.808 2 1 5.07809722790579 5381125 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC(=S)N 1 1.173 3 1 0 -1.33469473716544 5380976 CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=CC=C3 1 3.138 0 3 2.85701977068885 5380759 CC1=CC2=C(C3=CC=CC=C3N2)C4=C1N=C(C=C4C(=O)OC)C 1 4.133 2 2 -0.156757406937596 5380645 COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2)O 1 3.443 0 3 4.62093956140239 5380465 CC1=NC=CC2=C1NC3=C2C=C(C=C3)Br 1 3.203 2 0 5.91596066877688 5380443 CCN1CCCC/C(=C(\CCCC1)/N=O)/NO 1 2.073 3 2 -1.11829567318908 5380342 CC1=C(C2=CC=CC=C2N1)C=C3C(=O)NC(=O)NC3=O 1 1.303 3 3 0 -5.06954690278315 5379425 COC1=CC(=CNNC=C2C=C(C(=O)C(=C2)OC)OC)C=C(C1=O)OC 1 -1.107 2 6 0 1.5239970923578 5379326 C1=CC(=CC=C1C2=CC=C(O2)/C=C/C3=NC(=O)NC(=C3)C(F)(F)F)F 1 4.486 2 2 1.21791882122226 5379282 COC1=CC=C/C(=C\NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)/C1=O 1 2.571 2 3 -7.89487832295909 5379262 COC1=C(C2=C(C(=C1OC)OC)OC(=C(C2=O)O)C3=CC=CC=C3)O 1 2.307 0 7 0 -0.169597205006828 5379238 CCN(CC)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)Br 1 5.31 1 1 -2.46043672158875 5379210 COC1=C2C(=C(C=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)OC 1 2.395 0 7 0 1.77090277037907 5379151 CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=C(OC3=CC=CC=C3C2=O)O 1 3.812 1 4 -1.57716527387529 5378952 CCN1C(=NC2=CC=CC=C2C1=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 3.41 3 3 -4.03441392232265 5378885 C1=CC=C2C(=C1)N/C(=C/3\C=CC(=CC3=O)NCC4=CN=CC=C4)/O2 1 2.179 3 2 -6.53052994563758 5378752 C1=CC(=CC=C1N/C=C/2\C=C(C=CC2=O)Br)Cl 1 3.216 1 1 -1.10994467122294 5378684 CN1C(=NC2=CC=CC=C2C1=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 3.061 3 3 -6.05103043511463 5378678 C1C(=NC2=CC=CC=C2NC1=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 2.895 3 3 -6.9310030359422 5378674 CN(C)C1=CC=C(C=C1)N/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3 1 2.816 3 2 -10.5336996100382 5378597 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O 1 -0.3 0 12 0 -4.87704508308911 5378539 C1=CC(=CC=C1N/C(=C\2/C(=NON2)N)/N=O)Br 1 1.536 5 2 0 -1.24157484762781 5378514 CCOC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)SC 1 4.576 0 2 3.15482415241477 5378449 CC(=NNC1=CC(=CC2=C1C(=O)N(S2=O)C)[N+](=O)[O-])C 1 0.787 4 4 0 -5.94308023914656 5378436 CN1C(=O)C2=C(NC1=O)N=NC(=N2)C3=CC(=C(C=C3)Cl)Cl 1 2.44 5 2 0 1.88938591468678 5378406 CC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)/C=C/C3=CC=C(C=C3)C=O 1 3.135 1 5 -6.52131786787394 5378393 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NC3=CC=C(C=C3)[N+](=O)[O-] 1 3.044 2 3 -3.11743439401989 5378380 CCOC(=O)C1(/C(=N/NC2=CC=CC=C2)/C(=O)C(=O)N1C3=CC=CC=C3)C 1 3.17 3 4 0 -3.99869698636004 5378378 CC1=CC=C(C=C1)N/N=C/2\C(=NN(C2=O)C3=CC=CC=C3)C 1 3.31 4 1 -4.66105438806352 5378103 CC1=CC(=C2C3=CC=CC=C3C(=O)N(N2)C)C=C(C1=O)C 1 2.023 2 2 -3.6492416294211 5378081 CN(C)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3S2 1 4.468 2 0 3.76196467863864 5378026 C1OC2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)C#N 1 3.348 1 3 -3.5675118782749 5378018 CC1(CC2=CC=CC=C2C3=NNC(=C4C=CC(=O)C=C4)N31)C 1 2.558 3 1 -4.6399874668295 5378016 COC1=CC=C(C=C1)N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 3.133 1 2 -1.4360028158068 5377944 CC1=CC(=CC=C1)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2 1 4.837 4 0 -11.5654764269396 5377877 CCN\1C2=CC=CC=C2S/C1=C\C(=O)C3=CC=CO3 1 4.11 1 2 7.10412977276668 5377854 CSC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)O 1 4.001 0 2 6.21388762440608 5377801 C1=C/C(=C\NCCN/C=C\2/C(=O)C=CC=C2)/C(=O)C=C1 1 0.308 2 2 0 -5.51425659701708 5377701 CC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)/C=C/C3=CC=CC=C3 1 3.376 1 4 -3.22177088039968 5377685 CC1=CC=C(C=C1)N/C=C\C2=NN=NN2C3=CC=C(C=C3)OC 1 2.92 5 1 -4.28392709314523 5377658 C1=CC(=O)C=CC1=C2NC=C(C=N2)C3=CC=C(C=C3)O 1 1.822 2 2 0 2.18070804762642 5377598 CC\1=NN(C(=O)/C1=C/C2=CC=CC=C2OC)C3=CC=CC=C3 1 3.018 2 2 -4.09367997831159 5377595 CN1C(=NC2=CC=CC=C2C1=O)/C=C/C3=CC=CC=C3 1 3.167 2 1 -3.9643931206088 5377530 C1=CSC(=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.549 1 3 -2.26818307715622 5377470 C1=C/C(=C\NNC2=CC=C(C=C2)[N+](=O)[O-])/C(=O)C=C1 1 1.666 3 3 0 -1.93617999006207 5377438 C1=CC=C(C=C1)C2=CN=C3C(=N2)NC(=S)NC3=O 1 2.077 4 1 0.536281792432321 5377287 COC1=CC=C/C(=C\NC2=CC=CC=C2C#N)/C1=O 1 1.666 2 2 0 -5.05775699196518 5377213 C1C(=O)N=C2C=CC=CC2=C3N1C4=CC=CC=C4N3 1 2.42 3 1 -8.39073532862887 5377206 CC(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)NO 1 3.215 1 2 -0.200942962307513 5377172 C1=CC=C2C(=C1)/C(=C/C=C3C=CC(=O)C=C3)/C=CN2 1 2.683 1 1 1.03183378759444 5377167 C1=CC=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C=C2)[O-] 1 3.586 1 1 4.84740304246821 5377144 C1=CC=C2C(=C1)C=C/C(=C/C=C3C=CC(=O)C=C3)/N2 1 2.953 1 1 1.46634772843955 5377140 C1CCC2(CC1)N=C3C=CC=CC3=C4N2C5=CC=CC=C5N4 1 4.258 3 0 -3.37829900835121 5377106 CCC(=C1C(=O)NC(=O)NC1=O)NC2=CC=CC=C2N 1 0.496 4 3 0 -11.0325838569714 5376990 C1=CC(=O)C=CC1=C2C=NC3=C(N2)C(=O)N=CN3 1 -0.56 4 2 0 -4.84609735578011 5376916 CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O 1 3.946 0 2 3.65526925335068 5376915 CN(C)/C=C/C(=O)C1=CC=C(C=C1)Br 1 2.473 1 1 1.04826087274941 5376891 C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O 1 2.624 0 3 3.90078661140203 5376873 C1=CC=C(C=C1)NNC2=C3C=CC=CC3=NC2=O 1 1.881 3 1 0 -3.39522884562266 5376739 CC1=C(C=NN1C)/C=C/C(=O)C2=CC=CS2 1 2.45 2 1 -2.3857178944499 5376566 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)/C=C/N(C)C 1 2.679 2 1 1.22519985151624 5376523 C1=C/C(=C/2\C=C(NN2)C3=CC=CO3)/C(=O)C=C1 1 0.743 2 2 0 -1.11805808823793 5376484 CN1C2=C(C(=CC=C2)O)C(=O)C3=CC=CC=C31 1 2.918 1 2 6.10561109930817 5376318 C1CCN(CC1)C(=C2C=CC(=O)C=C2)S 1 2.739 1 1 -0.888396173838608 5376212 CC(=O)/C(=C(\C1=CC=CC=C1Cl)/N)/C(=O)OC 1 1.311 1 3 0 -2.207847627186 5376014 C1=CC=C(C=C1)NN/C=C/2\C=CC=CC2=O 1 1.772 2 1 0 1.56365892181076e-003 5376006 C1=CC=C(C=C1)NNC=C2C=CC(=O)C=C2 1 1.772 2 1 0 2.67615809379214 5375849 CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2 1 4.188 0 1 1.33324900528777 5375836 C1CCN(C1)C(=C2C=CC(=O)C=C2)S 1 2.283 1 1 -0.533927659670528 5375781 CCN(CC)C1=CC=C(C=C1)/C=C/[N+](=O)[O-] 1 2.669 2 2 2.52052488334672 5375721 C1=CC=C(C=C1)C(=O)/C=C/SC2=NC=C(C=C2)C(F)(F)F 1 4.107 1 1 3.55213009066098 5375687 C1=CC(=C(C(=C1)Cl)/C=C/C(=O)N2C=CC=N2)Cl 1 3.724 2 1 1.96525585825433 5375681 CN(C)/C=C/C(=O)C1=CC(=CC=C1)[N+](=O)[O-] 1 1.618 2 3 0 -3.52077389200706 5375607 C1CCC2=C(C1)C3=C(CCCC3=NN2)N=O 1 2.092 3 1 -10.3201808938754 5375397 C1=C/C(=C\NNC(=S)N)/C(=O)C=C1 1 0.123 3 1 0 -4.73941686939873 5375380 C1COC2(O1)CC(=C3C(=NON3)C2)N=O 1 -0.461 3 4 0 -5.95186186048661 5375260 CN(C)/C=C/C(=O)C1=CC=C(C=C1)Cl 1 2.389 1 1 2.50492061785085 5375062 CC\1=NOC(=O)/C1=C\C2=CC=CC=C2 1 1.713 1 2 0 3.41087370102458 5374970 CN1C(=NC2=CC=CC=C2C1=O)/C=C/C3=CC(=CC=C3)Br 1 3.915 2 1 -1.24769023150716 5374954 CC1=C(C(=NC2=CC=CC=C2N1)C)N=O 1 1.84 3 1 0 -8.80513821277954 5374863 C1CC(=C(C2=C1NON2)N=O)N=O 1 -0.398 4 3 0 -5.92810476166261 5374489 CC1=CC=CC2=C(C(=O)N=C12)NO 1 0.535 2 2 0 -5.62155482542851 5374477 CN(C)/C=C/C(=O)C1=CC=C(C=C1)F 1 1.93 1 1 0 1.39479895272928 5374442 CC1=CC(=O)NC2=C1C=CC(=C2)O 1 1.456 1 2 0 -2.96419742357032 5374372 C1=CC(=CN=C1)/C=C\2/C(=O)OC(=N2)C3=C(C=C(C=C3)Cl)Cl 1 3.491 2 2 -5.56235015559419 5374281 CN(C)C1=CC=C(C=C1)/C=C/C#N 1 2.338 2 0 -2.88291577622144 5374298 C1C(N=C2N=CNN2C1C3=CC=CC=C3)C4=CC=CC=C4 1 2.056 4 0 1.22829335474627 5374260 CC1(CCC/C(=C\C2=CC=CC=C2)/C1=O)C 1 4.105 0 1 3.82757975966713 5374244 CC1=CC2=C(C=C1)N/C(=C(/C#N)\N=O)/N2 1 2.191 4 1 -6.70387121992432 5374224 C1CCC(CC1)N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 3.153 1 1 1.77464730702813 5374165 C1C(CC2=NONC2=C1N=O)O 1 -0.9 3 3 0 -2.20385776048517 5373998 COC1=C(C(=CC=C1)OC)C(=O)C(=C2NC3=CC=CC=C3N2)C#N 1 3.086 3 3 -7.81273194790609 5373708 CC(C)(C(=O)NNC1=C2C=CC=CC2=NC1=O)O 1 -0.425 3 3 0 -8.99477920716892 5373687 CCOC(=O)C1=CNC2=C(C1=O)C=CC(=N2)C 1 1.048 2 3 0 -6.47525920804923 5373216 COC1=NNC2=C1N=CN=N2 1 0.377 5 1 0 -2.19025264213837 5373072 CCOC(=O)C1CCCN(C1)C(=S)NC(=O)/C=C/C2=CC=C(C=C2)F 1 3.932 2 3 -11.4608239168782 5373057 CCN1C(=O)/C(=C/NC2=CC=CC=C2)/SC1=S 1 2.737 2 1 -6.48152786357485 5372884 CC1(C(N(C(=S)S1)C2=CC=CC=C2)/[N+](=C/C3=CC=C(C=C3)N(C)C)/[O-])C 1 5.379 3 1 -5.48554861462728 5372812 C1=CC2=C(NC=C2C=O)N=C1 1 0.931 2 1 0 0.415303155240681 5372738 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN/C=C/3\C=CC=C(C3=O)OC 1 1.241 3 4 0 -8.04212444845469 5372720 C1=CC=C2C(=C1)N=C3C(=N2)NC(=O)NC3=O 1 0.996 4 2 0 -5.34507022800238 5372632 C1=CC=C(C(=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])Cl 1 1.611 3 4 0 -9.43168373477082 5372283 C1=CC2=C(C=C1O)OC(=CC2=O)O 1 1.585 0 4 0 1.9849487417947 5372044 C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=CC=CC=C3)/SC2=S 1 2.554 1 3 -14.7728807754084 5371834 CC1=CC2=C(C(=O)N=C2C=C1)NO 1 0.535 2 2 0 -3.59687218656744 5371779 C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC(=CC=C2)O 1 5.392 3 2 -12.9317094606977 5371657 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NN3C=NN=C3 1 0.419 4 1 0 -1.62294239293778 5371486 CC1=C(C(=O)N=N1)NNC2=CC=C(C=C2)Cl 1 2.605 4 1 -2.75694185630537 5371485 CC1=C(C(=O)N=N1)NNC2=CC=CC=C2Cl 1 2.605 4 1 -4.26913591301845 5371318 C1=C/C(=C\NNC(=O)C2=CC=NC=C2)/C(=O)C=C1 1 -0.144 3 2 0 -6.10579339496881 5371250 CC1=C(C(=O)N=N1)NNC2=CC=C(C=C2)OC 1 1.924 4 2 0 -4.99190675603633 5371072 COC1=CC=CC=C1CN/C=C\2/C(=O)C3=C(N2)C=CC(=C3Cl)Br 1 3.428 2 2 -7.42408275517285 5371033 CC1N(CC(N(C1)C(=O)/C=C/C2=CC=CO2)C)C(=O)/C=C/C3=CC=CO3 1 2.606 2 4 -4.51556478920013 5370953 C1=CC(=O)C=CC1=C(N)N 1 -0.407 2 1 0 -2.20977548332857e-002 5370754 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NNC=C3C=CC(=O)C=C3 1 2.277 3 3 -5.7385160206611 5370261 C1=CC2=C(C(=O)N=C2C=C1)NNC(=O)C3=CC=CS3 1 1.069 3 2 0 -8.66376540016246 5370237 C1=CC(=CC(=C1)F)NC(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CS3 1 2.579 3 2 -14.3686790991735 5370228 C1=COC(=C1)C(=O)/C=C/C2=CC=CS2 1 3.05 0 2 -0.225498701344308 5369686 CCOC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)C2=CC=CC=C2 1 2.991 1 3 -12.571467879365 5369672 C1=CC=C(C=C1)C2=N/C(=C\NC3=CC=CC=C3)/C(=O)O2 1 2.654 2 2 -8.32209883184714 5369530 C1CN(CCC1O)C(=O)/C(=C/C2=CN=CC=C2)/NC(=O)C3=CC=CC=C3 1 0.482 3 3 0 -18.4097000534263 5369330 C1=CC2=NC(=O)C(=C2C=C1Br)NNC3=NNN=N3 1 6.7e-002 7 1 0 -4.98134801856013 5369163 CN(C)/C=C/C(=O)C1=CC=C(S1)Br 1 2.245 1 1 -1.39696273649552 5369110 C1CCN(CC1)CC(=O)NNC2=C3C=CC=CC3=NC2=O 1 0.374 4 2 0 -8.18349438727945 5368819 C1=CC=C(C(=C1)NN=C2C=CC(=O)C=C2)[N+](=O)[O-] 1 2.441 3 3 -3.74623561968738 5368817 CC1=CC(=C(C=C1)NN=C2C=CC(=O)C=C2)Br 1 3.782 2 1 -0.669347104762968 5368724 C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)S(=O)(=O)NC2=NC=CS2 1 0.678 3 5 0 -10.2221937445296 5368645 C1=CC=C(C=C1)CN2/C(=C/3\C=CC=CC3=O)/NNC2=S 1 3.102 3 1 -3.0107204404259 5368566 C1=CC=C(C=C1)CNC(=O)CCC(=O)NN/C=C/2\C=CC=CC2=O 1 0.349 3 3 0 -15.3513834373061 5368408 C1=CC=C(C=C1)CNC(=O)C\2=NNN/C2=C\3/C=CC=CC3=O 1 0.635 4 2 0 -13.2144318328596 5367700 CN1C(=O)C(=CNCC2CCNCC2)C(=O)N(C1=O)C 1 -1.084 4 3 0 -15.4073845596376 5367179 CC1(CC(=NC2=NONC2=N1)C3=CC=CC=C3)C4=CC=CC=C4 1 3.036 4 1 -0.541958275398464 5367120 C1=CC=C(C=C1)N/C(=C\2/C(=NON2)N)/N=O 1 0.788 5 2 0 -1.76356793148654 5367074 CN(C1=CC=CC=C1)N/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 1.72 3 3 0 -2.6327982318695 5367020 C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)O2 1 3.608 1 2 -1.33968606359714 5367004 CC\1=NN(C(=O)/C1=C\C=C\2/C(C3=CC=CC=C3N2C)(C)C)C4=CC=CC=C4 1 4.029 3 1 7.81534259135218 5366546 CC(C)OC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)(C)OC 1 5.059 0 3 -7.1293302158546 5366182 CCOC1=C/C(=C/NN2C=NN=C2)/C=C(C1=O)Br 1 -0.143 4 2 0 -1.62011307966031 5366130 C1CCN(C1)/C(=C\2/C(=NON2)N)/N=O 1 -7.e-002 5 2 0 -3.07049007952 5364915 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C(=C/C#N)/C 1 0.846 4 1 0 -14.4647625390642 5364303 C1=CC=C2C(=C1)N/C(=C\C(=O)C(F)F)/C(=O)N2 1 1.153 2 2 0 -7.13195317327188 5364248 COCC(=O)NNC1=C2C=CC=CC2=NC1=O 1 -0.813 3 3 0 -9.75096642634554 5364031 CC(=O)NC1=C(C=C(C(=C1)N/C=C/2\C=C(C=CC2=O)OC)Cl)Cl 1 2.236 2 3 -6.52925066519223 5364013 CC(=O)C1=CC(=CC=C1)N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 2.889 1 2 -4.98127930704353 5363971 CC1=N/C(=C\C2=CC(=C(C=C2)OC)OC(=O)C)/C(=O)O1 1 1.4 1 5 0 -10.6145908616975 5363854 CC1=N/C(=C\C2=CC=CC=C2Cl)/C(=O)O1 1 2.313 1 2 -3.56987456899241 5363804 CCCCCCOC1=CC=C(C=C1)/C(=N/O)/N 1 3.124 2 2 2.02091220084482 5363795 CC1=C(C(=NN1C)C)/C=C(/C(=O)C(C)C)\N2C=NC=N2 1 1.482 5 1 0 -5.3295867860033 5363038 CN1C=NC(=C1NC2=CC=CC=C2O)[N+](=O)[O-] 1 1.789 4 3 0 0.882236371603799 5363028 C1=CC(=C(C=C1Cl)Cl)NN=C2C(=NN=C2N)N 1 1.696 6 0 0 0.772090269583509 5362984 CCOC1=CC(=O)/C(=C/NNC2=NC(=NC(=C2)N3CCOCC3)C)/C=C1 1 0.276 5 3 0 -4.47222386175406 5362119 C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O 1 -3.673 3 5 0 -13.883106157009 5361912 C[C@H]1C=CC=C(C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C6C(=C(C(=C5C2=O)O)C)O[C@@](C6=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C 1 3.931 4 11 0 -9.77301237770695 5361852 C1=CC=C2C(=C1)C3=C(S2=O)C=C(C=C3)[N+](=O)[O-] 1 2.419 1 3 -1.64477159056438 5361807 CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCOCC3)C4=CC=CC=C4 1 2.899 1 4 6.2217552234069 5360959 CC1=CC(=NO1)N/C(=C/2\C(=O)C3=CC=CC=C3S(=O)(=O)N2C)/O 1 0.716 3 5 0 -9.08074468074897 5360733 C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O.Cl Cl- 1 2.119 1 4 4.45133606431133 5360697 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O 1 3.448 1 1 2.41724965381898 5360696 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC 1 3.674 1 1 0.139689167421324 5360665 C1=CC=C\2C(=C1)C=CC(=O)/C2=N\NC3=CC(=CC=C3)S(=O)(=O)O 1 2.94 2 4 -7.70050848303947 5360356 C1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O 1 4.127 1 3 8.42730502631324 5360050 CC(=O)NC1=CC=C(C=C1)NN=C2C=CC(=O)C=C2 1 1.667 3 2 0 -6.23023663594929 5359866 CC\1=C(NC(=C(/C1=C\2/C=CC(=C(C2=O)OC)OC)N)C3=NC4=C(C=C3)C(=O)C(=C(C4=O)N)OC)C(=O)OC 1 -1.054 4 8 0 -6.3901235792239 5359646 CC1=NC2=C(C=CN2)C(=N1)NCC3=CC=CC=C3 1 1.958 4 0 0 -2.89323970680915 5359389 CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC.Cl Cl- 1 2.438 2 1 4.4620371108328 5359275 C1=CC=C\2C(=C1)C=CC(=O)/C2=N\NC3=CC=CC=N3 1 2.996 3 1 0.77459652729825 5358913 COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O 1 0.436 0 10 0 -9.99449701189678 5358689 CCC1(N=C(N=C2N1C3=C(N2)C=C(C(=C3)C)C)N)C 1 1.891 5 0 0 -1.16637540193344 5358429 CC1=C(C(=O)N=N1)NNC2=CC=CC=C2 1 1.941 4 1 0 -4.73559468526554 5358385 C1=C2C(=CC(=C1O)O)OC3=CC(=C(C(=C3C2=O)O)C4C(C(C(C(O4)CO)O)O)O)O 1 -0.396 0 11 0 -10.3439570161991 5358235 C/C(=C/1\C=CC=CN1)/N=O 1 0.405 2 1 0 -4.17703604084398 5357805 COC(=O)NN/C=C/1\C=NC2=CC=CC=C21 1 0.662 3 2 0 -3.23756826572187 5357698 COC1=CC=CC2=CC(=C(C(=C2C1=O)O)OC)OC 1 1.752 0 5 0 -1.29681658942559 5357660 CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)C 1 4.674 0 1 1.30257763057956 5357652 C1=CC(=CC=C1NN=C2C(=CC(=O)C=C2Cl)Cl)[N+](=O)[O-] 1 3.179 3 3 -2.86954802454806 5357627 CC1=C(C(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OC 1 3.566 0 4 2.1009721962365 5357512 C1=CC=C(C=C1)C2=NC3=C(NC(=S)N=C3N=C2C4=CC=CC=C4)N 1 2.978 5 0 -0.182706824592358 5357493 C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=N2 1 3.309 4 2 -3.51230867860998 5357488 COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)O 1 3.427 0 4 4.16425655916446 5357479 C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)O 1 3.136 0 3 3.39373140072338 5357469 C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C=C2 1 4.431 1 0 4.47677001277647 5357235 C1=CC(=CC=C1NN=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-] 1 0.548 5 5 0 -12.3584445779355 5357223 COC1=CC=C(C=C1)NC(=S)NNC2=C3C=CC=CC3=NC2=O 1 2.502 4 2 -7.52819031514544 5357166 C1=CSC(=C1)/C=C/C(=O)C2=C(C=CC(=C2)Cl)O 1 4.077 0 2 5.02674104235396 5356867 COC1=CC=C(C=C1)C/C(=N/O)/N 1 0.917 2 2 0 2.41846029608723 5356769 C1=CC(=O)/C(=C/NN=C(N)N)/C=C1[N+](=O)[O-] 1 -1.071 5 3 0 -2.7897391175178 5356628 CC1=C(C(=O)OC2=C1C=CC(=C2)O)C3=CC=CC=C3 1 3.582 0 3 2.03942198906544 5356590 CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC(=O)C)O)OC(=O)C)OC(=O)C 1 1.669 0 11 0 -1.82350917858584 5356587 C1=CC=C2C(=C1)C(=CC(=C3C=CC(=O)C=C3)N2)C(=O)O 1 2.075 1 3 -5.06823042118512 5356585 CC(=O)/C=C/C1=CC=CC=C1O 1 1.786 0 2 0 5.68871065602421 5356513 CCO/C(=C/1\C(=O)C2=CC=CC=C2OC1=O)/O 1 1.991 0 5 0 -3.08968275650312 5356282 C1=CC(=O)C=CC1=CNNC(=S)NNC=C2C=CC(=O)C=C2 1 0.452 4 2 0 -2.50325713177004 5356192 C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3N2 1 3.415 3 0 -3.718960195061 5356057 CN(C)C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2 1 3.864 1 1 -0.704333622899895 5355845 C1=CC=C(C(=C1)C(=O)/C=C/C2=CC=CO2)O 1 2.855 0 3 2.89328031136376 5355827 C/C(=C\C=C1C=CC(=O)C=C1)/NO 1 0.961 1 2 0 2.29040326885566 5355713 C1=CNC=CC1=C(N)N=O 1 -0.598 3 1 0 -2.15871379207452 5355594 COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)O 1 3.443 0 3 3.59580447479212 5355550 C1=CC=C(C=C1)/C=C/C(=O)C2=CNC3=CC=CC=C32 1 3.995 1 1 2.55615134279251 5355543 CC1=CC=C(C=C1)S(=O)(=O)NNC2=C3C=CC=CC3=NC2=O 1 1.304 3 3 0 -7.86081361739983 5355412 CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1CC4=C3C(=C(C=C4)OC)O 1 2.009 1 3 -0.232212876118098 5355348 CCOC1=C/C(=C\2/NC3=CC=CC=C3S2)/C=CC1=O 1 3.105 1 2 -3.33205408817519 5355209 CCO/C(=C\1/C(=O)C2=CC=CC=C2C(=O)N1)/O 1 1.088 1 4 0 -3.91967442422321 5355105 C1=CC(=O)C=CC1=CNNC=C2C=CC(=O)C=C2 1 0.142 2 2 0 0.236427887483888 5355031 CCCCOC(=O)/C=C\C(=O)NC(=O)N 1 0.745 2 4 0 -7.18164490071067 5354979 C1CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)N 1 8.3e-002 2 2 0 0.202431982846068 5354847 C1OC2=C(O1)C=C(C(=C2)/C=C\C(=O)O)[N+](=O)[O-] 1 1.59 1 6 0 -2.87492187766459 5354767 C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)NC(=O)N3 1 1.03 3 2 0 -4.66826068005373 5354758 C/C(=C\C(=O)C)/NC1=CC=CC=C1O 1 1.64 1 2 0 2.14056965462047 5354558 CCOC(=O)C1=C(/C(=C\NO)/C(=N1)C)C 1 4.e-002 2 3 0 -4.14576064624534 5354279 CC1=C(C=CC2=C1OC(=C(C2=O)NC(=O)C3=CC4=C(C=C3)OC(CC4)(C)C)O)O 1 3.657 1 6 0 -0.132537760885386 5354198 C1=CC=C(C=C1)NN=C2C=CC(=O)C=C2 1 2.547 2 1 -1.81129384536734 5354119 C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=N2 1 2.979 1 1 -1.38679303383114 5354107 C1=CC2=C(C(=O)N=C2C=C1)NNC(=S)N 1 0.232 4 1 0 -6.74211735442033 5354003 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=CC=NC=C3)/C=N2 1 0.533 4 1 0 -3.17224734703796 5353992 CCCCCC(=O)OC1C2C(=C(C1OC(=O)/C(=C/C)/C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O 1 3.841 0 12 0 -17.9253950056063 5353940 C1=CC(=O)C=CC1=C2NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F 1 2.23 3 1 -0.491529228618513 5353927 COC1=C(C=C(C=C1)/C=C(/C#N)\C2=CN=CC=C2)OC 1 2.471 2 2 -11.4530134997023 5353831 CN/C(=C/[N+](=O)[O-])/NCCSCC1=CSC(=N1)CN(C)C 1 0.643 5 2 0 -6.5895912957128 5353745 C1=CC=C(C=C1)/C(=C/C2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O)/C(=O)O 1 4.949 1 4 -1.60464207837209 5353721 CC(=O)/C(=C(\NC1=C(C=CC(=C1)Br)Br)/O)/C#N 1 3.144 2 2 -5.93505150370766 5353685 COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)C2=CC(=C(C=C2)O)O)I)O 1 3.376 1 5 0.785716723319771 5353678 COC1=CC(=C(C(=C1)OC)/C=C\2/C3=CC=CC=C3NC2=O)OC 1 2.681 1 4 -4.19074594561173 5353365 CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC(=CC=C3)Cl 1 2.957 4 2 -0.594907949526531 5352000 CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O 1 0.347 0 12 0 -1.81634572637581 5351954 CC1=CC2=CC3=C(NC(=O)NC3=O)N=C2C=C1C 1 2.262 3 2 -5.27951630366175 5351869 CC1(C2CC3C(C(=O)/C(=C(/N)\O)/C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O 1 -0.587 2 8 0 -1.15215918496649 5351644 C1=CC(=O)C=CC1=NNC2=CC=C(C=C2)[As](=O)(O)O 1 2.191 2 4 -2.20421810315254 5351591 C/C=C\1/CC(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C 1 1.722 1 5 0 1.19393873742877 5350956 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCC2CCCO2 1 1.683 1 5 0 -10.258428222811 5350924 CN1C(=O)C(=CNCCCC(=O)O)C(=O)N(C1=O)C 1 -1.187 3 5 0 -19.7054241030756 5350916 CN(C1=CC=C(C=C1)O)C2=NC(=O)/C(=C\3/C4=CC=CC=C4NC3=O)/S2 1 2.658 3 3 -5.58231329654305 5350915 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O 1 2.531 1 6 0 -3.75217485245213 5350913 C=CCN1C(=O)/C(=C/NC2=CC=C(C=C2)F)/C(=O)NC1=O 1 1.233 3 3 0 -10.4997230252451 5350909 C1CS(=O)(=O)CC1NC(=O)/C=C/C2=CC=CS2 1 0.966 1 3 0 -15.7576112032124 5350890 CN1C(=O)/C(=C/NC2=CC=C(C=C2)F)/C(=O)NC1=O 1 0.617 3 3 0 -3.77637879478566 5350848 C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)N/C=C/5\C=CC(=O)C=C5O 1 2.191 3 2 -0.994265769944124 5350845 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NC2CCS(=O)(=O)C2 1 0.832 1 6 0 -14.6116864591851 5350840 COC1=C/C(=C/NN2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35)/C=CC1=O 1 2.416 3 2 -0.253100606398863 5350830 CC1=C(C(=O)C2=CC=CC=C2N1)C(=O)/C=C/C3=CC=CC=C3 1 3.549 1 2 -7.13450770218697 5350795 CCOC(=O)C1=C(C2=CC=CC=C2N1)C=C3C(=O)N(C(=O)N(C3=O)C)C 1 2.065 3 5 0 -9.8359154219869 5350787 CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])/C=C/C2=C(C=CC(=C2)OC)OC 1 1.325 3 6 0 -11.5601335343409 5350772 CC1=CC(=C(C=C1)C2=CS/C(=C\3/C=NC4=CC=CC=C43)/N2)C 1 4.087 2 0 -1.39033679720667 5350726 CCC1=CC=C(C=C1)/C=C/C2=C(C(=O)N(C(=O)N2C)C)[N+](=O)[O-] 1 2.301 3 4 0 -9.34494636187532 5350719 CC1=CC=CC(=C1)/C(=N/OC(=O)CC2=CC=CC=C2)/N 1 2.907 2 2 -2.23660408974725e-002 5350718 CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])/C=C/C2=C(C(=C(C=C2)OC)OC)OC 1 1.309 3 7 0 -11.7278632963762 5350704 CC1=CC=C(C=C1)C2=CS/C(=C\3/C=NC4=CC=CC=C43)/N2 1 3.6 2 0 -1.87517251304489 5350703 CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])/C=C/C2=C(C=C(C=C2)OC)OC 1 1.325 3 6 0 -10.8248758816208 5350698 CCOC1=CC=C(C=C1)/C=C/C2=C(C(=O)N(C(=O)N2C)C)[N+](=O)[O-] 1 1.691 3 5 0 -10.2846975869484 5350691 CCCOC1=CC=C(C=C1)/C=C/C2=C(C(=O)N(C(=O)N2C)C)[N+](=O)[O-] 1 2.214 3 5 0 -9.82970880293518 5350690 CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])/C=C/C2=CC=C(C=C2)Br 1 2.106 3 4 0 -8.74016928061086 5350689 CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])/C=C/C2=CC=C(C=C2)Cl 1 2.022 3 4 0 -7.28350953550942 5350682 CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)C3=CC(=C(C=C3)OC)C)C 1 3.913 3 3 -9.79588024798655 5350663 CC1=CC(=NC2=C1C(=O)N=C(N2)SCC3=CC=CC=C3)C 1 3.771 3 1 -11.1723474875767 5350651 C1=CC=C2C(=C1)/C(=C\3/NC(=CS3)C4=C(C=C(C=C4)O)O)/C=N2 1 2.63 2 2 1.47654880023434 5350648 CCC1=CC=C(C=C1)C2=CS/C(=C\3/C=NC4=CC=CC=C43)/N2 1 4.057 2 0 -2.11461064882397 5350509 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)/C=C/C5=CC=CC6=CC=CC=C65 1 4.166 3 3 -3.17490418413346 5350494 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O 1 3.205 3 5 0 -21.5837256539521 5350491 C1CCN(C1)C2=NC(=NC3=CC=CC=C32)/C=C/C4=CC=CC=C4 1 4.018 3 0 6.00218584189379 5350490 CC1CCN(CC1)C2=NC(=NC3=CC=CC=C32)/C=C/C4=CC=CC=C4 1 4.726 3 0 4.23931913371678 5350489 C1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)/C=C/C4=CC=CC=C4 1 4.93 3 0 5.64771732772571 5350486 CC(=O)N/C(=C\C1=CC=C(C=C1)F)/C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O 1 2.351 3 4 0 -17.6292139449801 5350485 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)F)/C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O 1 4.015 3 4 0 -21.5450776768744 5350482 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 3.516 2 4 -21.8639143309476 5350481 CC(=O)N/C(=C\C1=CC=C(C=C1)F)/C(=O)NC(CCSC)C(=O)O 1 0.829 2 4 0 -23.3268390911113 5350480 CC(=O)N/C(=C\C1=CC=C(C=C1)F)/C(=O)NC(CC2=CC=CC=C2)C(=O)O 1 2.057 2 4 -16.6465798294197 5350477 C1CC2CC1CC2NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 3.001 2 3 -5.66801863382443 5350473 COC1=CC=C(C=C1)/C=C/C(=O)NC2CC3CCC2C3 1 3.091 1 2 -3.75138494089076 5350469 CCOC(=O)C1=C(N/C(=C/C2=CC=C(O2)CNC(=O)C(=O)NC3=CC=CC=C3)/C1=O)C 1 1.307 3 6 0 -21.7004740033676 5350457 C1CC(OC1)CNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 1.759 2 4 0 -12.6336356163309 5350440 CC(=O)O/N=C(/CC1=CC(=C(C=C1)OC)OC)\N 1 0.724 2 4 0 -2.28989509613461 5350420 CSC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)N 1 3.497 1 1 5.03202138561818 5350394 CCC(C)NC(=O)/C(=C/C1=CC=CO1)/C2=CC=CC=C2 1 3.629 1 2 -10.6717620043068 5350385 CC1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=C(O2)/C=C/3\C(=O)C(=C(N3)C)C(=O)OC 1 1.444 3 6 0 -20.9418601608333 5350379 CC1=CC\2=C(C=C1)N(C(=O)/C2=C\3/C(=O)NC(=S)N3)C 1 1.437 3 2 0 -5.67713078333082 5350173 COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)O 1 3.12 0 4 3.45528160789444 5350170 C1CCC2C(C2C(=O)NC3=CC=CC=C3)/C=C\C1 1 3.22 1 1 -1.90522941152022 5350152 COC1=CC(=C(C=C1)OC)N2C(=O)CC(=O)NC2=O 1 0.702 2 5 0 -7.30174737575635 5350076 CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C=C3C)O 1 2.483 2 3 3.58932539904953 5350059 C1=CC=C(C=C1)C2=CSC(=N2)NN/C=C\3/C=CC(=O)C(=C3)[N+](=O)[O-] 1 1.821 4 3 0 4.86008842831179 5350016 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.714 3 4 0 -10.1744026701315 5350011 CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)C3=CC=CC=C3F)C4=CC=C(C=C4)C(=O)O 1 4.075 2 4 -2.89073362757682 5349996 CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3C(=NN(C3=O)C4=CC=CC=C4)C)/C(=O)NC2=O)C 1 2.888 4 4 0 -1.81542488307897 5349945 CC1CCCCC1NC(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)N)/C#N 1 2.36 3 3 -18.8981955998313 5349881 CC(C1=CC=CC=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N 1 2.935 2 3 -14.5269284381878 5349880 CCOC(=O)C1=C(N/C(=C/C2=CC=C(O2)CNC(=O)C(=O)OCC)/C1=O)C 1 0.726 2 7 0 -17.8389472253586 5349809 C1=CC=NC(=C1)/C(=N/OC(=O)/C=C/C2=CC=C(C=C2)Br)/N 1 2.881 3 2 0.250484825983899 5349728 CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NN/C=C\2/C=CC=N2 1 0.864 4 2 0 -7.11994105041621 5349725 C1=CC=C(C(=C1)/C=C/C(=O)O/N=C(/C2=CC=CC=N2)\N)Cl 1 2.797 3 2 1.46359417375768 5349700 CCCC1=CC=C(C=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N 1 3.063 3 2 1.90988072203351 5349680 COC1=CC(=C(C=C1/C=C/C2=NC(=O)NC(=C2)C(F)(F)F)OC)OC 1 3.026 2 4 -8.80719314606005 5349623 CC(C)C1=CC=C(C=C1)/C=C(/C(=O)NCCCN2C=CN=C2)\NC(=O)C3=CC=CC=C3 1 2.993 4 2 -17.4068251263549 5349621 CC1=C(C(C(=C(N1)C)C(=O)OCC=C)/C=C/C2=CC=CC=C2)C(=O)OCC=C 1 3.573 1 4 -16.5372421562966 5349587 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C=C/C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5 1 4.554 5 2 0 -1.73275292984207 5349498 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=C(C=CS2)C)/C(=O)NCC3=CC=CO3 1 3.685 2 3 -17.7264184574078 5349489 C1COCCN1C2=CC=C(C=C2)/C=C/C(=O)C3=CC=CC=C3 1 3.551 1 2 0.244871853972742 5349477 C1=CC(=CC=C1C(=O)O/N=C(/C2=CC=NC=C2)\N)Br 1 1.984 3 2 0 2.86696282521742 5349461 C1=CC=C(C=C1)SCC(=O)NN/C=C/2\C=CC=CC2=O 1 1.4 2 2 0 -6.57121506940516 5349454 CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC(=CC=C4)[N+](=O)[O-])/O 1 3.721 3 5 0 -8.43245566478076 5349398 CC1=CC=C(C=C1)/C(=N/OC(=O)C2=C(C=C(C=C2)Cl)Cl)/N 1 4.202 2 2 8.19851993046622 5349389 C1=CC=C(C=C1)C(=O)O/N=C(/CC2=C(C=C(C=C2)Cl)Cl)\N 1 3.75 2 2 5.91735836560587 5349375 COC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=CC=CC=N3)O)C(=O)/C=C/C4=CC=CC=C4)O 1 3.55 2 5 0 -12.2038898484562 5349344 C1=CC(=CN=C1)/C(=N/OC(=O)C2=C(C=C(C=C2)Cl)Cl)/N 1 2.565 3 2 4.53849066322221 5349323 COC1=CC(=C(C=C1)C2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(=O)N2C4=CC=CC=N4)OC 1 3.308 2 5 0 -6.37114678580481 5349309 C1=CC(=CC=C1/C(=N/OC(=O)C2=C(C=C(C=C2)Cl)Cl)/N)Cl 1 4.38 2 2 8.03120435790934 5349295 CC1=C(C(=O)N=N1)NNC2=CC(=C(C=C2)Br)Cl 1 3.353 4 1 -2.8510538737429 5349290 C1=CC=NC(=C1)/C(=N/OC(=O)C2=CC(=CC=C2)Br)/N 1 2.413 3 2 0.310121150150321 5349224 CC1=C(C(=O)N=N1)NNC2=CC=C(C=C2)C(=O)C 1 1.681 4 2 0 -9.20084931929513 5349218 CCOC(=O)C1=C(N/C(=C\C2=C(N(C(=C2)C)C3=CC=CC=C3)C)/C1=O)C 1 2.943 2 3 -14.9461214254116 5349217 CC1=CC=CC(=C1)/C(=N/OC(=O)C2=C(C=C(C=C2)Cl)Cl)/N 1 4.202 2 2 7.09878591123686 5349172 CCOC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)OC 1 4.018 0 3 -4.45101809547197 5349163 CCOC(=O)C1=C(N/C(=C\C2=CC=C(O2)CNC(=O)C(=O)NC3=CC=C(C=C3)C)/C1=O)C 1 1.793 3 6 0 -21.7321164593281 5349146 CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=C(C=C4)OC)/O 1 3.811 2 4 -4.46751694674608 5349117 CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=C(C=C4)F)/O 1 4.032 2 3 -3.34267371213669 5349095 CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)/C=C(/C#N)\C3=NC4=CC=CC=C4N3 1 4.639 5 2 0 -4.33226363010615 5349084 CC1=C(C(=O)N=N1)NNC2=CC=C(C=C2)S(=O)(=O)N 1 0.646 5 3 0 -10.2493365807321 5349053 C1=CC(=CC(=C1)Br)C(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.984 3 2 0 2.15486932390606 5348939 CC1=CC=C(C=C1)/C(=C\C(=O)C(=O)OC)/O 1 1.977 0 4 0 -0.200902763148079 5348940 CC1=C(C(=O)N=N1)NNC2=CC=CC=C2C#N 1 1.819 5 1 0 -6.55609284284821 5348989 COC1=CC=C(C=C1)CSCC(=O)NN/C=C/2\C=CC=CC2=O 1 1.39 2 3 0 -10.2522793970556 5348934 C1=CC=C(C=C1)C2=C(N/C(=C\3/C=C(C=CC3=O)[N+](=O)[O-])/N2)C4=CC=CS4 1 2.87 3 3 -5.69862214848388 5348896 C1=CC=C(C(=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)OC4=NC=C(C=C4)[N+](=O)[O-])/C(=O)NC2=O)F 1 3.695 4 6 0 -3.51970882095135 5348876 CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)/C=C/4\C(=O)NC(=O)N4 1 1.753 4 3 0 -10.589606146692 5348787 CC1=CC=C(C=C1)/C(=N/OC(=O)/C=C/C2=CC=CC=C2)/N 1 3.341 2 2 2.00845266855406 5348774 C1=CC=C(C=C1)/C=C/C(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.132 3 2 -0.455210933598238 5348773 CCOC1=CC=C(C=C1)N2C(=C(/C(=C/C3=CC=CO3)/C2=O)C(=O)OCC)C 1 3.342 1 5 -8.78161934640777 5348771 CCN(CC)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3OC)O 1 3.379 1 4 1.43945522674607 5348716 C1=CC=C(C=C1)/C=C/C(=O)O/N=C(/C2=CN=CC=C2)\N 1 1.704 3 2 0 -1.74897082521473 5348720 C1=CC(=CC(=C1)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=C(O3)Br)C(=O)O 1 2.559 2 6 0 -16.6635939184881 5348735 C1=CC=C2C=C(C=CC2=C1)OCC(=O)O/N=C(/C3=CC=NC=C3)\N 1 1.98 3 3 0 4.61084253434453 5348732 COC1=CC=C(C=C1)C/C(=N/OC(=O)CCC2=CC=CC=C2)/N 1 2.896 2 3 0.128129543192576 5348709 CC1=C(C(=O)/C(=C/C2=C(C(=CC=C2)OC)O)/N1)C(=O)OC 1 1.168 1 5 0 -7.55947052244882 5348700 COC1=CC(=CC(=C1OC)OC)/C=C(/C(=O)NC(C2=CC=CC=C2)C(=O)O)\NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.096 2 10 0 -25.6887341911958 5348685 COC1=CC=CC=C1C/C(=N/OC(=O)/C=C/C2=CC=CC=C2)/N 1 2.873 2 3 0.566256889493698 5348683 CC1=CC=C(C=C1)C(=O)/C=C/C2=CNC3=CC=CC=C32 1 4.481 1 1 6.26956992262538 5348680 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/NC(=O)C3=CC=C(O3)Br 1 3.058 3 7 0 -19.7474787593976 5348677 COC1=CC=CC=C1C/C(=N/OC(=O)COC2=CC3=CC=CC=C3C=C2)/N 1 3.149 2 4 3.98336459193388 5348668 C1=CC=C(C=C1)CCC(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 3.626 2 2 1.05282853533439 5348666 COC1=CC=C(C=C1)C/C(=N/OC(=O)CC2=CC(=C(C=C2)OC)OC)/N 1 2.407 2 5 0 -2.39923816065446 5348659 C1=CC=C(C=C1)/C=C/C2=NC(=NO2)CC3=C(C=CC=C3Cl)F 1 4.517 2 1 -3.19354004002172 5348658 CC1=CC=C(C=C1)/C(=N/OC(=O)CCC2=CC=CC=C2)/N 1 3.364 2 2 0.687489589849011 5348642 COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3CN4CCOCC4)O 1 2.369 1 5 1.50121209936381 5348640 CCOC(=O)C1=C(N/C(=C\C2=C(C(=CC=C2)OC)O)/C1=O)C 1 1.517 1 5 0 -8.44745672121804 5348633 C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NC3=CC=CC(=C3)C(=O)O)/NC(=O)C4=CC=C(O4)Br 1 2.932 2 7 0 -19.1648850881156 5348623 CCCCN(CC)CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O 1 4.887 1 3 5.14007911599235 5348621 CC1=CC=C(C=C1)C2=NOC(=N2)/C=C/C3=CC=CC=C3 1 4.099 2 1 6.04101682305813 5348619 C1=CC=C(C=C1)CCC(=O)O/N=C(/C2=CN=CC=C2)\N 1 1.727 3 2 0 -3.06993390391978 5348608 C1=CC=C2C=C(C=CC2=C1)OCC(=O)O/N=C(/C3=CC=CC=N3)\N 1 2.408 3 3 2.96189676884195 5348606 COC(=O)C1=CC(=CC=C1)NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3Cl 1 4.091 2 4 -18.8395574159998 5348602 CC1=CC=CC(=C1)/C(=N/OC(=O)CCC2=CC=CC=C2)/N 1 3.364 2 2 -0.369800751683486 5348588 CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)O 1 3.502 0 3 -0.714187645571595 5348583 CC1=CC=CC(=C1)/C(=N/OC(=O)COC2=CC=C(C=C2)Cl)/N 1 3.372 2 3 3.74114208834554 5348571 CN(C)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3OC)O 1 2.681 1 4 3.20256115957392 5348570 CC1=CC=C(O1)/C=C/C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.517 2 4 -5.58234517927745 5348564 COC1=CC=C(C=C1)/C(=N/OC(=O)CC2=CC(=C(C=C2)OC)OC)/N 1 2.372 2 5 0 -2.71321413482238 5348544 COC1=CC=C(C=C1)/C(=N/OC(=O)/C=C/C2=CC=CC=C2)/N 1 2.838 2 3 1.66652940804496 5348533 CCC1=C(C=C2C(=C1)C3=C(CCCC3)C(=O)O2)O 1 4.033 0 3 -5.68728282867792 5348532 CCOC(=O)C1=C(N/C(=C\C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)C)/C1=O)C 1 2.882 2 5 0 -17.7991972810231 5348527 CC1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4OC)O 1 3.85 1 4 1.29222904648208 5348525 C1=CC=C(C=C1)CCC(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 3.542 2 2 2.50948828043583 5348519 C1=CC=C(C=C1)/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/NC(=O)C3=CC=CC=C3 1 3.201 2 4 -17.5475838988992 5348518 COC1=C(C=C(C=C1)C2=C/C(=C\3/C=CC=CC3=O)/NN2)OC 1 1.315 2 3 0 -5.62693856771116 5348503 C1=CC2=C(NNC(=C2C=C1)N=C3C=CC(=O)C=C3)C4=CC=C(C=C4)C(=O)NCCO 1 1.247 4 3 0 -10.5644032634913 5348497 CCC1CCCCN1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4OC)O 1 4.5 1 4 -1.24856606404363 5348484 CC1=C(C(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3)/N1)C(=O)OC 1 2.047 2 5 0 -16.9772985265678 5348482 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O/N=C(/C3=CN=CC=C3)\N 1 2.765 3 2 -5.07960904984121 5348479 COC1=CC=C(C=C1)/C(=N/OC(=O)CCC2=CC=CC=C2)/N 1 2.861 2 3 0.345566329339918 5348474 C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NC3=CC=C(C=C3)C(=O)O)/NC(=O)C4=CC=C(O4)Br 1 2.932 2 7 0 -19.0846524792326 5348469 COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=C(C(=C2O)OC)OC=C3)OC 1 3.714 0 6 -1.33728542571849 5348420 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O/N=C(/C3=CC=NC=C3)\N 1 2.765 3 2 -2.13690339272213 5348456 CCOC1=CC(=O)/C(=C/NNC2=NC(=CS2)C)/C=C1 1 0.451 3 2 0 -1.16281500100753 5348455 C1=CC=C(C=C1)/C=C/C2=NC(=NO2)C3=CN=CC=C3 1 2.462 3 1 2.7437252467522 5348410 C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3 1 4.083 3 2 -6.87902394935039 5348408 COC1=C(C=C(C=C1)CC(=O)O/N=C(/C2=CC=CC=N2)\N)OC 1 1.666 3 4 0 -4.76427137972757 5348400 C1=CC=C(C=C1)/C=C/C(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 3.603 2 2 2.37379161403944 5348361 CC1CCN(CC1)C2=N/C(=C/3\C=CC=CC3=O)/NC4=CC=CC=C42 1 3.37 3 1 -7.79278315964706 5348360 CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 4.898 3 4 0 -18.3749705618741 5348356 CC1=NNC(=O)N=C1NNC=C2C=C(C(=O)C(=C2)OC)OC 1 -1.309 5 4 0 -6.35365795036696 5348335 C1CN(CCN1CCN2C(=O)C3C4CC(C3C2=O)C=C4)S(=O)(=O)C5=CC=C(C=C5)/C=C/C(=O)O 1 -2.104 3 6 0 -17.5858724623524 5348321 C1OC2=C(O1)C=C(C=C2)C(=O)NN/C=C/3\C=C(C=C(C3=O)[N+](=O)[O-])Cl 1 0.885 3 6 0 -6.44137743738227 5348319 CC1=C(SC(=S)N1C)C(=O)NNC=C2C=CC(=O)C=C2 1 1.346 3 2 0 -5.27582382077709 5348304 COC1=C(/C(=C/NNC(=O)C2=CC3=C(C=C2)OCO3)/C=CC1=O)[N+](=O)[O-] 1 0.205 3 7 0 -11.3696912058917 5348303 C1COCCN1CCCNC(=O)CCCN2C(=O)/C(=C/C3=CC(=CC=C3)Br)/SC2=S 1 3.313 3 3 -18.8553262890501 5348300 CC1=CC(=C/C(=C\NNC(=O)C2=CC3=C(C=C2)OCO3)/C1=O)Br 1 1.674 2 4 0 -5.7072736594684 5348285 COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCOCC4)O 1 2.155 1 6 0 0.816993741785138 5348272 COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.512 2 7 0 -18.320785301359 5348260 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC=C3C(=O)N(C(=O)N(C3=O)C)C)C 1 0.412 6 5 0 -15.675266484941 5348259 C1=CC=C(C=C1)CC(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.271 3 2 0 0.220206463985313 5348250 C/C(=C\1/C=CC(=O)C(=C1)OC)/NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 2.137 2 4 -8.51124178504224 5348249 CC1=C(C=CO1)C(=O)O/N=C(/C2=CC=CC=C2)\N 1 1.636 2 3 0 2.74431894399157 5348246 CC1=CC=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)N=CC=C3 1 4.374 1 1 2.98474562345265 5348244 COC1=CC=C(C=C1)C/C(=N/OC(=O)C2=CC=CS2)/N 1 2.358 2 3 -0.500781647823167 5348220 CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)C3=CC=CC(=C3)/C=C/C(=O)O 1 3.292 1 5 -1.54672462682753 5348213 COC1=CC=C(C=C1)C/C(=N/OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])/N 1 2.299 3 5 0 -1.59355700230231 5348206 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCC3=NN=C(S3)N 1 1.884 4 3 0 -4.95147640326685 5348157 COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CO3 1 2.345 2 5 0 -14.0160399888382 5348148 C1=COC(=C1)/C=C(\C(=O)NCCO)/NC(=O)C2=CC=CO2 1 0.245 2 5 0 -17.1982807046988 5348095 CC1=CC(=CC=C1)OCC(=O)O/N=C(/CC2=CC=CS2)\N 1 2.696 2 3 0.591591291846456 5348094 CC1=CC(=CC=C1)OCC(=O)O/N=C(/CC2=CC=C(C=C2)[N+](=O)[O-])\N 1 2.637 3 5 0 1.7942202818972 5348083 CSCCC(C(=O)O)NC(=O)/C(=C\C1=CC=CO1)/NC(=O)C2=CC=CO2 1 1.078 2 6 0 -26.0051385493852 5348081 CC1=CC(=CC=C1)OCC(=O)O/N=C(/CC2=CC=C(C=C2)Cl)\N 1 3.407 2 3 5.71061675984125 5348080 CC1=CC=CC=C1OCC(=O)O/N=C(/CC2=CC=CC=C2OC)\N 1 2.726 2 4 1.85516944596006 5348071 CSCCC(C(=O)O)NC(=O)/C(=C\C1=CC=C(C=C1)Cl)/NC(=O)C2=CC=CC=C2 1 2.952 2 4 -25.9641681608716 5348064 CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=CO4 1 3.221 2 5 0 -15.8061147780438 5348063 CC1=CC(=CC=C1)OCC(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 3.372 2 3 5.79288099249205 5348060 CC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(C=C2)OC)/NC(=O)C3=CC=CO3 1 2.69 2 5 0 -18.2455393009663 5348050 C1=CC(=CC=C1OCC(=O)O/N=C(/C2=CC=NC=C2)\N)Br 1 1.82 3 3 0 2.42966062160211 5348049 CCN(CC)CCOC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)OC 1 4.409 3 2 -0.985918132979311 5348038 C1=COC(=C1)/C=C(\C(=O)NCCC(=O)O)/NC(=O)C2=CC=CO2 1 0.514 2 6 0 -21.4399864456874 5348037 CC1=CC=C(C=C1)OCC(=O)O/N=C(/CC2=CC=CC=C2OC)\N 1 2.726 2 4 1.60525673071848 5348032 CC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CO3 1 2.101 2 5 0 -17.3177563104907 5348030 CC1=CC(=CC=C1)OCC(=O)O/N=C(/CC2=CC=CC=C2OC)\N 1 2.726 2 4 2.5997052933325 5348016 C1=CC=C(C=C1)OCC(=O)O/N=C(/C2=CN=CC=C2)\N 1 1.071 3 3 0 -1.36661799297115 5348015 C1=COC(=C1)/C=C(\C(=O)NCCCO)/NC(=O)C2=CC=CO2 1 0.308 2 5 0 -16.2501890204483 5348014 C1=CC=C(C=C1)OCC(=O)O/N=C(/CC2=CC=CS2)\N 1 2.21 2 3 -0.98848550926114 5348008 C1=COC(=C1)/C=C(\C(=O)NCCCCCC(=O)O)/NC(=O)C2=CC=CO2 1 1.748 2 6 0 -24.9683488387809 5348002 CC1=CC=CC=C1OCC(=O)O/N=C(/CC2=CC=CS2)\N 1 2.696 2 3 -0.42339423774854 5348001 C/C(=C\C(=O)C1=CC=CC=C1)/NC2=CC(=C(C=C2)Br)Cl 1 4.969 1 1 1.0213804593829 5347999 C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CO3 1 2.361 2 4 -13.8571221445922 5347977 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CNN4C3=NC(CC4C(F)(F)F)C5=CC=C(C=C5)OC 1 1.533 6 3 0 -15.5152056963557 5347930 COC1=C(C=C(C=C1)C2CC(N3C(=N2)C(=C(N3)C(=O)N)Cl)C(F)(F)F)OC 1 1.28 4 3 0 -3.78966368894173 5347924 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\C(=O)C3=CC=CS3)C 1 2.791 4 3 0 -11.0576393070373 5347869 CN1CCN(CC1)C2=N/C(=C/3\C=CC=CC3=O)/NC4=CC=CC=C42 1 2.159 4 1 -3.40497956962447 5347841 CC1=CC=C(C=C1)CN2CCN(CC2)N/C(=C/3\C=CC(=O)C(=C3)OC)/C 1 2.115 3 2 1.95167606182656 5347823 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\C(=O)C3=CC=C(C=C3)Cl)C 1 3.502 4 3 0 -4.62677899215465 5347819 C1CCN(C1)C(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC=C(C=C4)F 1 2.022 4 1 -3.25949770925844 5347809 C1C(N=C2C(=CNN2C1C(F)(F)F)C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CO5 1 1.513 4 4 0 -10.7835687751221 5347795 C1CCN(C1)/C(=C/2\C=CC=CC2=O)/S 1 2.283 1 1 -2.82142310066101 5347759 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=NC(CC(N4N3)C(F)(F)F)C5=CC=C(C=C5)OC)Cl 1 2.172 6 3 0 -11.9400312700258 5347756 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC=CC=C4 1 3.699 4 5 0 -15.00559267544 5347726 CC1CCN(CC1)/C(=C/2\C=CC(=O)C(=C2)OC)/S 1 2.679 1 2 -3.6858442334637 5347711 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=NC(CC(N4N3)C(F)(F)F)C5=CC=CC=C5)Br 1 2.272 6 2 0 -13.1344948462635 5347665 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C4=CC=CS4 1 3.546 4 5 0 -17.8419125937719 5347643 C1C(N=C2C=C(NN2C1C(F)(F)F)C(=O)N)C3=CC=CO3 1 0.232 4 2 0 -5.1874493155526 5347642 CC(=C1C=CC(=O)C=C1)NN2CCN(CC2)C3=CC=CC=C3OC 1 2.014 3 2 -0.511754782606422 5347622 C1COCCN1CCNC(=O)C2=CNN3C2=NC(CC3C(F)(F)F)C4=CC=CS4 1 0.553 5 2 0 -12.6561679792851 5347612 CC1=CC=C(C=C1)C2CC(N3C(=N2)C(=CN3)C(=O)N)C(F)(F)F 1 1.16 4 1 0 -2.31475000863377 5347610 CC1=CC=C(C=C1)CN2CCN(CC2)NC=C3C=C(C(=O)C(=C3)OC)OC 1 1.29 3 3 0 4.53971785399396 5347570 CCN(CC)C1=CC(=O)/C(=C/NN2CCN(CC2)CC3=C(C=C(C=C3)C)C)/C=C1 1 2.869 4 1 -0.163662431603131 5347533 CC(C1=CC=CC=C1)NC2=N/C(=C/3\C=CC=CC3=O)/NC4=CC=CC=C42 1 3.957 3 1 -7.41919270581201 5347522 C1=CC=C2C(=C1)C(=CN2CC(=O)O)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl 1 3.292 3 5 0 -3.76890103386468 5347520 C1C(N=C2C(=CNN2C1C(F)(F)F)C(=O)NCC3=CC=CO3)C4=CC=CC=C4 1 1.645 4 2 0 -9.8036007071728 5347475 C1C(N=C2C(=CNN2C1C(F)(F)F)C(=O)O)C3=CC=C(C=C3)F 1 1.507 3 2 0 -1.6992275986532 5347464 C1C(N=C2C=C(NN2C1C(F)(F)F)C(=O)NCC3=CC=CO3)C4=CC=C(C=C4)Br 1 2.664 4 2 -6.93383821828571 5347421 C1=CC=C2C(=C1)C=CC=C2C/C(=N/OC(=O)C3=CC=CS3)/N 1 3.283 2 2 1.7314745968773 5347412 CN1CCN(CC1)C(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CS3 1 2.064 3 2 -14.8106666905594 5347405 C1COCCN1C(=O)/C(=C/C2=CN=CC=C2)/NC(=O)C3=CC(=CC=C3)Br 1 1.486 3 3 0 -19.6261792490993 5347402 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NN/C=C/3\C=CC=CC3=O 1 0.942 3 3 0 -6.4145651208775 5347397 C1=CC=C2C(=C1)NC(=C(C#N)C(=O)C3=CC=CO3)N2 1 2.514 3 2 -6.9914683435071 5347366 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 0.955 4 2 0 -6.42946537103106 5347324 CCOC(=O)N1CCN(CC1)C(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CS3 1 2.316 3 4 0 -17.8486324940768 5347316 C1=COC(=C1)/C=C(\C(=O)NCCO)/NC(=O)C2=CC=CS2 1 0.804 2 4 0 -18.0308687620222 5347309 C1=CC(=CC(=C1)Br)C(=O)N/C(=C\C2=CN=CC=C2)/C(=O)NCC3=CC=CO3 1 2.357 3 3 -19.7773375861779 5347285 C1=CC(=C(C=C1[N+](=O)[O-])/C=C/C2=NC(=O)NC(=C2)C(F)(F)F)Cl 1 3.634 3 3 -3.41798550262604 5347263 C1=CC=C2C(=C1)C=CC=C2NC(=O)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/NC(=O)C4=CC=CS4 1 4.327 3 4 0 -18.7307944235456 5347256 COC1=CC=CC=C1C/C(=N/OC(=O)C2=CC=CO2)/N 1 1.8 2 4 0 2.29325330000888 5347239 C1CCN(CC1)C(=O)/C(=C/C2=CN=CC=C2)/NC(=O)C3=CC(=CC=C3)Br 1 2.715 3 2 -18.0578827993237 5347231 C1=CC=C2C(=C1)NC(=C(C#N)C(=O)C(Cl)(Cl)Cl)N2 1 3.123 3 1 -6.73241452245978 5347215 COC1=CC=C(C=C1)C(=O)O/N=C(/C2=CC(=C(C=C2)OC)OC)\N 1 2.337 2 5 0 -2.78313521483239 5347164 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NN/C=C/3\C=NC4=CC=CC=C43 1 0.939 4 3 0 -6.41271538802057 5347108 COC1=CC(=CNNC(=O)CSC2=NNC(=O)NC2=O)C=C(C1=O)OC 1 -1.827 5 6 0 -17.8092026945467 5347097 C1CN(CCN1C2=CC=CC=N2)C(=O)/C=C/C3=CC=CC=C3 1 2.729 3 1 -1.9739220870067 5347077 COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 2.501 4 6 0 -15.1391132661337 5347003 CCN1C2=C(C=CC(=C2)C3=NNC(=O)CC3)/C(=C/NN=C4CCCC4)/C1=O 1 0.834 5 2 0 -13.325405346933 5346946 CCN1C2=CC=CC=C2/C(=C/OCC)/C1=O 1 1.574 1 2 0 -2.13544882304971 5346940 CC\1=NN(C(=O)/C1=N/NC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 3.063 4 3 0 -6.81319271603554 5346930 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NN/C=C/3\C=CC=CC3=O 1 0.389 3 3 0 -10.2072544675367 5346844 CC1=NO[N+](=C1COC2=CC=C(C=C2)/C=C\3/C(=O)NC(=S)N3)[O-] 1 -0.991 4 4 0 -8.24456330872467 5346832 C1OC2=C(O1)C=C(C=C2)C3C(=C(C(=O)N3CCCCCC(=O)O)O)C(=O)/C=C/C4=CC=CC=C4 1 3.575 1 7 0 -21.7479963176046 5346789 C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)[N+](=O)[O-])CCCCCC(=O)O)O 1 3.701 2 7 0 -23.1227388569741 5346752 C1=CC=C(C(=C1)/C=C/C2=NN=C(S2)N)Cl 1 2.614 3 0 2.44769237054842 5346722 C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)N(C2C3=CC=CC=C3[N+](=O)[O-])CCCCCC(=O)O)O 1 3.701 2 7 0 -21.4821321311819 5346559 C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)O 1 4.27 2 4 -4.07867800030616 5346550 C1=CC=C2C(=C1)C(=O)N(/C(=C/C3=C4C=CC=CC4=NC3=O)/N2)C5=CC=C(C=C5)O 1 3.582 3 3 -6.49818912171754 5346546 C1=CC=C2C(=C1)C(=O)N(/C(=C/C=C3C=CC(=O)C=C3)/N2)C4=CC=C(C=C4)O 1 3.743 2 3 -0.106128610353121 5346526 CCSC1=NC2=CC=CC=C2N1C(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 4.867 2 3 -5.32524093472725 5346524 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O/N=C(/C3=CC=CC=N3)\N 1 3.194 3 2 -3.78584915822472 5346520 CCOC1=CC=CC=C1/C=C/C(=O)C2=CC=C(C=C2)Cl 1 4.698 0 2 2.94368756376663 5346517 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.045 4 4 0 -0.634866771775469 5346515 C1=CC=C(C=C1)C2=N/C(=C\3/C=CC=CC3=O)/C=C(N2)C(F)(F)F 1 2.85 2 1 -3.17449311898793 5346512 CC(=C1C=CC(=O)C=C1)NNC2=NC(=CS2)C(C)(C)C 1 2.474 3 1 -0.396503319259418 5346506 C1=CC=C2C(=C1)/C(=C\3/C(=O)N=C(S3)NC4=CC(=CC=C4)O)/C(=O)N2 1 2.452 3 3 -7.9952737640392 5346493 C1=CC=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)F)[N+](=O)[O-] 1 3.801 1 3 1.97784082369946 5346492 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.547 1 6 0 -5.65330629309185 5346480 COC1=CC=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)OC 1 3.54 0 4 -2.25491496716629 5346420 CC(C)(C)C1=CSC(=N1)NNC=C2C=CC(=O)C=C2 1 1.961 3 1 0 1.5914191621905 5346418 C1=CC=C2C=C(C=CC2=C1)OCC(=O)O/N=C(/C3=CN=CC=C3)\N 1 1.98 3 3 0 1.66813687722546 5346400 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)O/N=C(/C2=CC=C(C=C2)OC)\N 1 2.751 3 5 0 1.41585479938011 5346360 C1=C/C(=C/2\C=C(NN2)C(F)(F)F)/C(=O)C=C1 1 0.772 2 1 0 -1.87397373097698 5346344 CC1=NN(C(=O)C1/C=C\2/C(=O)NC(=S)N2)C3=CC=CC=C3 1 1.099 4 2 0 -5.87226497948517 5346324 CC1=C(C=C(C=C1)C(=O)O/N=C(/C2=CN=CC=C2)\N)[N+](=O)[O-] 1 1.617 4 4 0 -4.86695217517826 5346322 CC1=C(C=C(C=C1)C(=O)O/N=C(/C2=CC=C(C=C2)OC)\N)[N+](=O)[O-] 1 2.751 3 5 0 -1.36645534918573 5346304 COC1=CC=CC(=C1OC)/C=C/C(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.563 1 5 -3.3577409840563 5346280 CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 4.082 1 3 1.26596379823421 5346278 C1=CC=C(C=C1)C2=N/C(=C\3/C=C(C=CC3=O)[N+](=O)[O-])/C=C(N2)C(F)(F)F 1 2.592 3 3 -2.89893370643106 5346271 CCOC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 3.985 0 5 -2.41791898181624 5346268 C1=CC=C(C=C1)C2=C/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)N2C4=CC=C(C=C4)O 1 4.338 2 4 -1.03866852371789 5346232 COC1=CC=CC=C1/C=C/C(=O)C2=CC=C(C=C2)Cl 1 4.35 0 2 3.20924569754903 5346227 CC1=C(C=C(C=C1)C(=O)O/N=C(/CC2=CC=CC=C2OC)\N)[N+](=O)[O-] 1 2.785 3 5 0 -2.74752686872299 5346216 CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC=C2)Br 1 4.612 1 1 -0.863950134129222 5346184 CC1=C/C(=C/2\CC(ON2)(C(F)(F)F)O)/C(=O)C=C1 1 1.351 1 3 0 -4.139525311269 5346183 COC1=CC(=C(C=C1)OC)/C=C/C(=O)C2=CC=C(C=C2)Cl 1 4.333 0 3 3.01144681396328 5346170 COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-] 1 3.365 1 6 0 -6.23741224794871 5346164 C1=CC=C2C=C(C=CC2=C1)C(=O)O/N=C(/C3=CC=CC=N3)\N 1 2.573 3 2 2.50026979321177 5346133 C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O/N=C(/C3=CC=CC=N3)\N 1 3.218 3 2 2.54897200526002 5346113 CC1=CC=C(C=C1)C2=C/C(=C\C3=CC=C(C=C3)OC(=O)C)/C(=O)O2 1 3.804 0 4 -3.26549831879404 5346090 COC1=CC(=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl)OC 1 4.333 0 3 3.74670446668343 5346086 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC=C(C=C2)F 1 3.858 0 4 -0.597895544133875 5346051 COC1=CC=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)SC 1 4.227 0 2 2.59978471102538 5346033 CC1=C(C=C(C=C1)C(=O)O/N=C(/CC2=CC=CS2)\N)[N+](=O)[O-] 1 2.755 3 4 0 -4.75564087020903 5346032 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)F 1 3.675 0 3 1.17399997634962 5346031 CC1=CC=CC(=C1)/C(=N/OC(=O)C2=CC=CO2)/N 1 2.268 2 3 2.60713996704912 5346000 CC1=NC2=CC=CC=C2C(=O)N1N/C=C/3\C(=O)C=CC4=CC=CC=C43 1 2.054 3 2 -5.59452217992383 5345994 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)O/N=C(/C2=CC(=C(C=C2)OC)OC)\N 1 2.734 3 6 0 -4.27989633034786 5345971 CC1=C(C2=CC=CC=C2N1)/C=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)[N+](=O)[O-] 1 5.077 4 3 0 -9.94370758520116 5345959 CC1=C(C2=CC=CC=C2N1)/C=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-] 1 5.077 4 3 0 -9.55656243967011 5345950 CN1C=C(C2=CC=CC=C21)/C=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)[N+](=O)[O-] 1 5.137 4 3 0 -6.68311949169095 5345915 C1=CC2=NC(=C3C(=NON3)N)N=C2C=C1 1 -0.142 5 1 0 -3.50195410751644 5345855 CCCN1C2=CC=CC=C2N=C1/C=C/C3=CC=CC=C3 1 4.816 2 0 5.42244011788048 5345854 COC(=O)C1=CC=C(C=C1)N/C=C\C(=O)C2=CC3=C(C=C2)OCO3 1 2.666 1 5 -5.00634487637172 5345832 CC1=C(C(=O)/C(=C\C2=CC=C(C=C2)O)/N1C3=CC=C(C=C3)F)C(=O)OC 1 3.598 1 4 -4.88612672595892 5345820 C1=CC=C(C=C1)C(=O)CN/C=C\C(=O)C2=CC3=CC=CC=C3C=C2 1 3.352 1 2 -0.153499058221051 5345764 C1=CC2=C(C(=O)N=C2C=C1)NNC(=S)NC3=CC=C(C=C3)O 1 2.276 4 2 -5.23534999486216 5345730 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\C(=O)C3=CC4=CC=CC=C4C=C3 1 3.84 4 3 0 -8.2266928491145 5345726 C1=CC(=CC=C1C(=O)/C=C\NC2=CC=C(C=C2)S(=O)(=O)N)F 1 1.953 2 3 0 -4.25822981597138 5345716 CC1=NNC(=O)C1CC(=O)NN/C=C/2\C=CC=C(C2=O)OC 1 -1.784 4 4 0 -15.6845242215825 5345697 C1OC2=C(O1)C=C(C=C2)N/C=C\C(=O)C3=CC=CS3 1 2.764 1 3 -7.2478003062831 5345688 CCOC(=O)C1C(CC(=CC1=O)/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 5.366 0 3 -2.25545220568212 5345644 C1=CC=C(C=C1)C2=C[N+]3=C(N2CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])SC=C3.[Br-] Br- 1 3.834 3 3 -5.00251576247686 5345636 CC1=CC(=NC(=N1)NN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=S)C 1 3.316 4 1 -4.63224636680839 5345599 CC12CCC(CC1=CCC3C2CCC4(C3C/C(=C\C5=CC=C(C=C5)N(C)C)/C4=O)C)O 1 5.412 1 2 -14.6636825131637 5345584 CCC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-] 1 4.058 1 4 2.69855013572558 5345545 C1OC2=C(O1)C=C(C=C2)C(=O)/C=C\NC3=CC=CC=C3Br 1 3.559 1 3 -2.00942481045645 5345538 C/C(=C\1/C=CC=CC1=O)/NNC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.097 5 4 0 -4.67201317547631 5345513 CCOC1=CC=C(C=C1)N/C=C\C(=O)C2=CC3=C(C=C2)OCO3 1 3.143 1 4 -3.54956946985022 5345509 C1=CC=C2C=C(C=CC2=C1)C(=O)/C=C\NC3=CC=C(C=C3)S(=O)(=O)N 1 2.656 2 3 -3.04049975620124 5345508 C1=CC(=CC(=C1)Br)C2=C/C(=C/3\C=C(C=CC3=O)Cl)/NN2 1 2.465 2 1 1.28565689824953 5345468 C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)/C(=O)N2 1 3.086 2 5 0 -9.91531029012671e-003 5345420 C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=CC=C3)Cl)C4=CC=CC=C4[N+](=O)[O-])/O 1 4.511 2 5 0 -4.63256105445404 5345408 C1OC2=C(O1)C=C(C=C2)C(=O)/C=C\NC3=CC4=C(C=C3)OCO4 1 2.579 1 5 -5.23750229885794 5345354 C1CC(OC1)CN2C(/C(=C(\C3=CC=CC=C3)/O)/C(=O)C2=O)C4=CC=CC=C4[N+](=O)[O-] 1 2.629 2 6 0 -12.8768930344801 5345351 CC1=C2C(=O)C=CNC2=NC(=N1)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.298 4 3 0 -0.936931391493541 5345312 CC1=CC(=CC(=C1)N\2C(=C(C(=O)/C2=C\C3=CC=CO3)C(=O)OC)C)C 1 4.002 1 4 -7.30962368122047 5345171 CCOC1=C/C(=C/C2=C(NOC2=O)C)/C=CC1=O 1 0.616 1 4 0 -5.42710082451206 5345083 C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/C(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-] 1 5.549 1 4 3.10716194364943 5345082 CC1=CC(=NC(=N1)NN/C=C/2\C=NC3=CC=CC=C32)C 1 1.119 5 0 0 0.679087901176218 5345060 CCC1CCCCN1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O 1 4.516 1 3 2.08450419200561 5345059 CC(C)N(CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)Cl)O)C(C)C 1 4.815 1 3 6.89242582088799 5345034 CCN(CC)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)Cl)O 1 4.06 1 3 7.06904058969732 5345031 C1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)O 1 4.279 1 3 9.52940367322715 5345014 CN(C)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)Cl)O 1 3.362 1 3 8.83214652252517 5344994 CC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)N/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 3.244 3 4 0 -4.31064649251512 5344992 C1=CC(=O)C=CC1=CNNC2=NC3=C(C(=O)NC(=O)N3)N=N2 1 -0.888 7 3 0 -4.7149344424274 5344982 COC1=C(C=C(C=C1)/C=C/C(=O)NCC2COC3=CC=CC=C3O2)OC 1 2.936 1 5 -10.7154629089373 5344976 C1CN(CCN1C/C=C/C2=CC=CC=C2)CC(C3=CC=C(C=C3)[N+](=O)[O-])O 1 3.295 3 3 3.64451671003806 5344971 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)/C=C/C5=CC=C(C=C5)Cl 1 3.922 3 3 -3.13829728629802 5344956 C#CCSC1=NN=CN1C(=O)/C=C/C2=CC=CC=C2 1 3.591 3 1 -8.25158440362814 5344910 CCOC1=CC=C(C=C1)N/C(=C/C2=[N+](C(=CS2)C3=CC=CC=C3)C4=CC=CC=C4)/C.[Br-] Br- 1 6.825 2 1 -3.84343775434132 5344902 CC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC=C(C=C2)F)/N 1 3.078 2 2 4.21060956110463 5344886 CC1=CC=CC(=C1)C(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 3.537 2 2 4.52756641087781 5344884 C1=CC=C(C=C1)C(=O)/C=C/NC2=CC=CC=C2 1 3.043 1 1 -0.545043975527658 5344874 CC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC(=CC=C2)F)/N 1 3.078 2 2 3.35224995932236 5344872 C1=CC(=CC=C1C(=O)O/N=C(/C2=CC=C(C=C2)Br)\N)F 1 3.34 2 2 4.57594850659001 5344837 CC1=CC=C(C=C1)C(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 3.621 2 2 3.86407148112476 5344828 C1=CC=C(C=C1)NC(=O)CSCC(=O)NN/C=C/2\C(=O)C=CC3=CC=CC=C32 1 1.51 3 3 0 -6.56012633725602 5344820 CC1=CC=C(C=C1)C(=O)O/N=C(/C2=CC=CC=N2)\N 1 2.151 3 2 0.754269932501083 5344814 CC1=CC=CC(=C1)C(=O)O/N=C(/CC2=CC=C(C=C2)[N+](=O)[O-])\N 1 2.802 3 4 0 0.262084521542179 5344804 CC1=CC=CC(=C1)C(=O)O/N=C(/CC2=CC=CC3=CC=CC=C32)\N 1 3.816 2 2 3.92044238543615 5344796 CC1=CC=CC(=C1)C(=O)O/N=C(/C2=CC=C(C=C2)Br)\N 1 3.621 2 2 3.07090666577637 5344792 COC1=CC=C/C(=C\NNC(=O)CSCC(=O)NC2=CC=CC=C2)/C1=O 1 0.148 3 4 0 -9.08946085239459 5344764 CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2CCCO2)O 1 1.794 2 4 0 -16.3005312946227 5344763 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2CCCO2)OCC(=O)O 1 1.152 2 6 0 -26.4310279611232 5344759 C1CC(OC1)CNC(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)/C#N 1 2.538 2 5 0 -17.6453016741103 5344735 C1CC(OC1)CNC(=O)/C(=C/C2=CC=C(O2)N3CCOCC3)/C#N 1 1.073 3 4 0 -18.0563889745387 5344732 CN1C(=NC2=CC=CC=C2C1=O)/C=C/C3=CC=C(C=C3)Br 1 3.915 2 1 -3.25869736102666 5344718 CCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2CCCO2)OCC 1 2.368 2 4 -22.6231919673622 5344717 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2CCCO2)O 1 1.445 2 4 0 -15.4457725525993 5344707 CCOC1=CC2=C(C=C1)N=C(N2)SCC.Cl Cl- 1 3.11 2 1 -1.87416833874286 5344654 CCOC(=O)N1CCN(CC1)C(=O)/C(=C/C2=CC=CC=C2OC)/NC(=O)C3=CC=CC=C3 1 2.393 3 5 0 -18.7841203015454 5344647 CCOC(=O)N1CCN(CC1)C(=O)/C(=C/C2=CC=CC3=CC=CC=C32)/NC(=O)C4=CC=C(C=C4)OC 1 3.301 3 5 0 -15.4530755751492 5344632 CN1CCN(CC1)C(=O)/C(=C/C2=CC=CC3=CC=CC=C32)/NC(=O)C4=CC(=C(C=C4)OC)OC 1 3.033 3 4 0 -17.0441568607292 5344631 COC1=CC(=CC(=C1OC)OC)/C=C(/C#N)\C(=O)NCC2=CC=CC=C2 1 2.879 2 4 -15.5253684578559 5344617 CCOC(=O)N1CCN(CC1)C(=O)/C(=C/C2=CC(=C(C=C2)OC)OC)/NC(=O)C3=CC=CC=C3 1 2.376 3 6 0 -22.8539961071319 5344610 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)F)/C(=O)NCC3=CC=CO3 1 2.965 2 3 -19.3495787898705 5344602 COC1=CC=C/C(=C\NNC2=NC=C(C=C2)[N+](=O)[O-])/C1=O 1 0.105 4 4 0 -4.23294774799649 5344590 CCOC(=O)N1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)OC)/NC(=O)C3=CC=CC=C3 1 2.393 3 5 0 -18.9648537176392 5344588 CCOC1=C/C(=C/C2=C(NOC2=O)C3=CC=CC=C3)/C=CC1=O 1 1.85 1 4 0 -3.17198327204961 5344562 C1CC2=C(C1)SC3=C2C(=O)OC(=N3)/C=C/C4=CC=CO4 1 3.717 1 3 -9.16055423794802 5344561 CC1=CC=C(C=C1)N2C(=O)/C(=C/NCC3=CC=NC=C3)/C(=N2)C 1 1.44 4 1 0 -6.14452025944449 5344532 C1=CC=C2C(=C1)C(=O)/C(=C/NCC3=CC=NC=C3)/S2 1 1.614 2 1 0 -2.22205555984508 5344526 CCN(CC)C1=CC(=O)/C(=C/NN2CCN(CC2)C3=CC=CC=C3)/C=C1 1 1.985 4 1 0 -0.505584705914027 5344459 COC1=CC=CC=C1N2CCN(CC2)N/C=C/3\C=CC(=O)C=C3O 1 0.962 3 3 0 -0.169124270299548 5344457 CCOC1=CC=C/C(=C\NNC(=O)CC2C(=NNC2=O)C)/C1=O 1 -1.435 4 4 0 -17.5410074715333 5344432 COC1=CC=CC=C1N2CCN(CC2)N/C=C/3\C=CC=C(C3=O)OC 1 1.188 3 3 0 -1.19390153393027 5344369 CCCC\1=NN(C(=O)/C1=C/NCC2=CN=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.971 5 3 0 -12.2049097827837 5344351 C1=CC=C2C(=C1)C(=O)N=C(N2)NNC=C3C=CC(=O)C=C3 1 0.794 4 2 0 -2.34497174106836 5344350 C1=CSC(=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Br)/C(=O)NCCO 1 2.157 2 3 -18.3387588649243 5344333 CC1=CC(=NN1)C(=O)NN/C=C/2\C=C(C=CC2=O)C(C)(C)C 1 1.385 4 2 0 -5.56351872941815 5344329 CC(=O)C1=CC(=CC=C1)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CS3 1 2.659 2 4 -17.1040199866633 5344311 CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=C(C(=CC=C3)OC)OCC(=O)O)/C#N 1 3.512 3 4 0 -5.79352788800852 5344310 CC1=CC=C(C=C1)/C=C/C(=O)NC2CCS(=O)(=O)C2 1 1.499 1 3 0 -13.4549293406163 5344301 CC(C)(C)C1=NN=C(N(C1=O)N/C=C/2\C=CC(=O)C(=C2)OC)SC 1 1.96 4 3 0 -3.57421734470153 5344255 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=CS3 1 4.926 1 2 -4.28054235066733 5344233 C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N)/C#N 1 2.831 3 4 0 -15.5817105275501 5344228 CC1CN(CC(O1)C)CC(COC2=CC=CC=C2C(C)(C)C)O.Cl Cl- 1 3.284 1 3 -6.79718572854289 5344213 CC1=C(SC=C1)/C=C\2/C(=O)N(C(=S)S2)CC3CCCO3 1 3.845 1 2 -12.1829309595846 5344197 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)SC)/C(=O)NC3=CC=CC(=C3)C 1 5.085 2 2 -10.9603106241302 5344185 CCOC1=C/C(=C(/N2CCOCC2)\S)/C=CC1=O 1 1.546 1 3 0 -4.50770993962479 5344175 CCOC1=C/C(=C/NNC(=O)C2=CN=C(C=C2)C)/C=C(C1=O)[N+](=O)[O-] 1 -8.3e-002 4 5 0 -8.49111577654176 5344140 C1=C/C(=C\NNC2=NC=C(C=C2)C(F)(F)F)/C(=CC1=O)O 1 0.928 3 2 0 2.91301909675802 5344119 CC1=CC(=C(C=C1)OCC(=O)O/N=C(/CC2=CC=CC=C2OC)\N)C 1 3.213 2 4 2.88165683484339 5344108 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)C(CC3=CC=CC=C3)C(=O)O 1 4.519 1 6 0 -11.5489934846092 5344102 C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 4.522 1 3 -9.32125385435235 5344088 C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)/C(=C/C3=CC=CC4=CC=CC=C43)/SC2=S 1 5.477 1 3 -4.72702402583159 5344075 COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)C(CC3=CC=CC=C3)C(=O)O)O 1 4.31 1 5 -6.68420626553424 5344059 CC1CCN(CC1)C(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CC=C3 1 2.765 2 3 -20.3578815839984 5344045 CC1=CC(=C(C=C1)OCC(=O)O/N=C(/C2=CC=NC=C2)\N)C 1 2.044 3 3 3.16584133634604 5344037 C1CC(OC1)CNC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CC=C3 1 1.748 2 4 0 -22.720058179409 5344006 C\1C(N(N/C1=C/2\C(=C3C=C(C=CC3=NC2=O)Cl)C4=CC=CC=C4)C(=O)CCC(=O)O)C5=CC=CC=C5 1 3.206 3 4 0 -8.68211361487698 5343920 COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=CC=C3)OC4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6 1 4.306 6 5 0 -9.43483925525854 5343732 C1=CC=C2C(=C1)NC(=N2)/C=C/C3=CC=CO3 1 3.133 2 1 4.24073976425949 5343676 CN1C=C(C=C1C2=NC3=CC=CC=C3N2C)[N+](=O)[O-] 1 2.961 4 2 1.49239904920975 5343613 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)/C=C/C(=O)O 1 2.172 1 5 -4.83516266230575 5343527 CC1=CC=CC=C1OCC(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.557 3 3 0 2.14117893566052 5343526 C1=CC(=CC=C1CC(=O)O/N=C(/C2=CC=NC=C2)\N)Cl 1 1.935 3 2 0 2.85702005935173 5343516 C1=CC=C(C=C1)C\2=NN(C(=O)/C2=C/NCCCO)C3=NC4=CC=CC=C4S3 1 2.343 4 2 -3.8222062068076 5343512 C1=CC=NC(=C1)/C(=N/OC(=O)CC2=CC=C(C=C2)Cl)/N 1 2.364 3 2 1.37648729086155 5343495 CCN(CC)C1=CC(=O)/C(=C/NN2CCN(CC2)CC3=CC=C(C=C3)Cl)/C=C1 1 2.561 4 1 1.95552235635049 5343493 CC1=CC=C(C=C1)CN2CCN(CC2)N/C=C/3\C=C(C=CC3=O)Br 1 2.367 3 1 1.24963937326785 5343485 C1=CC(=CN=C1)/C(=N/OC(=O)CC2=CC=C(C=C2)Cl)/N 1 1.935 3 2 0 1.17086287574348e-002 5343479 CCN(CC)C1=CC(=O)/C(=C/NN2CCN(CC2)CC3=CC=C(C=C3)C)/C=C1 1 2.383 4 1 0.13352366576367 5343475 C1CN=C2NC3=CC=CC=C3C(=O)N2C1 1 0.912 3 1 0 -9.46718993465075 5343473 CN1CCN(CC1)NC=C2C(=O)N(C(=O)N(C2=O)C)C 1 -1.638 5 3 0 -6.45062025725353 5343445 C1=CC=C(C=C1)C2=C/C(=C/3\C=CC=CC3=O)/ON2 1 1.686 1 2 0 -2.29699192388294 5343379 C1=CC=C2C(=C1)/C(=C/NN3C=NN=C3SCCO)/C=N2 1 0.589 5 1 0 -5.81533521974565 5343372 CC1=CC(=C(C=C1)C)OCC(CN2CCC(CC2)CC3=CC=CC=C3)O.Cl Cl- 1 5.071 1 2 0.857783501801056 5343371 CC1CCCN(C1)CC(COC2=CC=C(C=C2)Cl)O.Cl Cl- 1 3.342 1 2 -1.66012657726217 5343359 CC1=CC2=C(C=C1C)N3CCCN=C3N2 1 2.012 3 0 -6.95753144130251 5343329 C\1C(N(N/C1=C/2\C(=C3C=C(C=CC3=NC2=O)Cl)C4=CC=CC=C4)C(=O)CCC(=O)O)C5=CC=CO5 1 2.494 3 5 0 -13.4688012234902 5343309 C1=CC=C(C(=C1)/C=C/C2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-] 1 2.855 3 3 -5.41810637669596 5343305 CN1C(=NC2=CC=CC=C2C1=O)/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 3.061 3 3 -6.1705589369114 5343253 C1C2CC3CC1CC(C2)(C3)C(=O)O/N=C(/C4=CC=CC=N4)\N 1 2.556 3 2 1.71242748536013 5343241 COC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])/N 1 2.264 3 5 0 -1.24447159091073 5343237 C1=CC(=CC(=C1)Cl)C(=O)O/N=C(/C2=CN=CC=C2)\N 1 1.9 3 2 0 1.68795770300655 5343224 C1=COC(=C1)C(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N 1 2.446 2 3 5.48642899916844 5343221 C1=CC(=CC(=C1)Cl)C(=O)O/N=C(/C2=CC=NC=C2)\N 1 1.9 3 2 0 4.18591245352796 5343194 C1=CC=C(C(=C1)C(=O)O/N=C(/C2=CC=NC=C2)\N)Cl 1 1.9 3 2 0 3.03826442501958 5343193 C1=CC=NC(=C1)/C(=N/OC(=O)C2=CC=C(C=C2)Cl)/N 1 2.329 3 2 2.5762686230879 5343182 COC1=CC=C(C=C1)C/C(=N/OC(=O)C2=CC=C(C=C2)Cl)/N 1 3.069 2 3 4.4473317350679 5343181 C1=CC(=CN=C1)/C(=N/OC(=O)COC2=C(C=C(C=C2)Cl)Br)/N 1 2.484 3 3 2.5445216332744 5343160 CC1=NN=C(N1NC=C2C=CC(=O)C=C2)C 1 -0.11 4 1 0 -2.34727226927986 5343159 C1COC2=C(C=CC=C2O1)/C=C/C(=O)O 1 1.713 0 4 0 2.49496687198711 5343039 CCOC1=CC=C/C(=C\NN2CCN(CC2)C3=CC=C(C=C3)Cl)/C1=O 1 2.217 3 2 0.796805181414573 5343036 CCOC1=C/C(=C/NN2C(=NN=C2C)C)/C=CC1=O 1 -7.4e-002 4 2 0 -4.39828958529046 5343029 C1CC1C2=CC(=NN2)C(=O)NNC=C3C=CC(=O)C=C3 1 0.782 4 2 0 -2.44278100830834 5343008 CC\1=NN(C(=O)/C1=C/NCCN2CCN(CC2)C(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)[N+](=O)[O-] 1 1.641 6 4 0 -11.5767833365985 5342990 CC1=CC(=C(C=C1)C)S(=O)(=O)NNC2=C3C=CC=CC3=NC2=O 1 1.791 3 3 0 -7.474095228824 5342981 CCCC\1=NN(C(=O)/C1=C/NCCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.41 4 5 0 -14.6962110101796 5342969 CC1=C(C=C(C=C1)S(=O)(=O)NNC2=C3C=CC=CC3=NC2=O)C 1 1.791 3 3 0 -7.7209091786336 5342927 CC1=NN=C(N1N/C=C/2\C=CC=C(C2=O)CC=C)C 1 0.858 4 1 0 -7.77503268327509 5342903 CC1=CC(=NN1)C(=O)NN/C=C/2\C(=NC3=CC=CC=C32)C 1 0.78 5 1 0 -6.45150860179314 5342897 CC1=NN=C(N1N/C=C/2\C(=O)C=CC3=CC=CC=C32)C 1 0.94 4 1 0 -2.22409614213765 5342887 CCOC1=C/C(=C/NN2CCN(CC2)CC3=CC=CC=C3)/C=CC1=O 1 1.464 3 2 0 0.386316428329849 5342877 CCN(CC)C1=CC(=O)/C(=C/NN2CCN(CC2)CC3=CC=CC=C3)/C=C1 1 1.896 4 1 0 -0.681291239015926 5342814 C1CN(CCN1CC2=CC=CC=C2)NC=C3C=CC(=O)C=C3 1 1.428 3 1 0 2.43733374434045 5342801 CN1C(=O)C(=CNC2=C(C=CC(=C2)Cl)OC)C(=O)N(C1=O)C 1 1.265 3 4 0 -7.81736752359359 5342726 C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCO)C3=CC=CC=C3[N+](=O)[O-])/O 1 1.731 2 6 0 -8.2805249627748 5342661 CC\1=NN(C(=O)/C1=C/NCCN2CCN(CC2)C(=O)C3=CC(=CC=C3)F)C4=CC=C(C=C4)[N+](=O)[O-] 1 1.641 6 4 0 -11.1362055122995 5342653 CC\1=NN(C(=O)/C1=C/NN2CCOCC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 -0.254 5 4 0 -7.77960069890397 5342649 COC1=C/C(=C/NN2C(=O)CSC2=S)/C=CC1=O 1 0.806 2 3 0 -4.95046202388129 5342624 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C/4\C5=CC=CC=C5NC4=O)/SC3=O 1 1.732 4 4 0 -15.1430245335475 5342621 C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)C(C3=CC=CC=C3)C(=O)O 1 5.161 1 3 -9.69098357129658 5342575 COC1=C(C=C(C=C1)C/C(=N/OC(=O)C2=CC=CO2)/N)OC 1 1.784 2 5 0 -0.736593904071477 5342569 C1=CC=C2C(C3=CC=CC=C3C2=C1)(C4=CC=C(C=C4)NC(=O)/C=C/C(=O)O)C5=CC=C(C=C5)NC(=O)/C=C/C(=O)O 1 4.743 2 6 0 -4.53605277430449 5342566 CC1=C(C=CO1)C(=O)NN/C=C\2/C=CC=N2 1 -0.374 3 2 0 -4.41740732257075 5342554 CC(C)C(C(=O)O)N1C(=O)/C(=C/C(=C/C2=CC=CC=C2)/C)/SC1=S 1 4.77 1 3 -9.21216365444932 5342475 C1=CC=C(C=C1)C2=NC(=CC(=C3C=CC(=O)C=C3)N2)C4=CC=C(C=C4)O 1 3.184 2 2 0.429942041440815 5342411 CN1CCN(CC1)C(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CC=C3 1 2.111 3 2 -15.9692962158655 5342394 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4N3 1 4.18 3 1 -3.09166157204635 5342393 C1COCCN1C\2C3=C(C=CC(=C3)[N+](=O)[O-])O/C2=C\COC4=C(C=C(C=C4)Cl)Cl 1 4.377 2 5 0 -4.00326376107633 5342368 CC1=CC(=CC=C1)NC(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CC=C3 1 4.011 2 2 -13.9781823172157 5342321 CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)/C(=C/C4=CC=C(C=C4)N(C)C)/C(=N3)C5=CC=CC=C5 1 6.301 4 1 -4.02798800304863 5342315 CCOC1=CC=CC=C1NC=C2C(=O)N(C(=O)N(C2=O)C)C 1 0.949 3 4 0 -11.1757505873678 5342309 CN1C(=O)C(=CNC2=CC=CC=C2OC3=CC=CC=C3)C(=O)N(C1=O)C 1 2.177 3 4 0 -8.13932787400125 5342302 C1C(CS1)OC2=CC=C(C=C2)/C=C/C(=O)C3=CC=CC=C3 1 4.146 0 2 -0.55873434947067 5342284 CN1/C(=C\C2=CC(=CC(=C2OC)Br)Br)/C(=O)N=C1N 1 2.477 3 2 3.47453839279112 5342277 C1CCN(CC1)/C(=C/2\C=CC=CC2=O)/S 1 2.739 1 1 -3.17589161482909 5342252 CN1/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)N=C1N 1 0.964 3 3 0 -6.63333594578617 5342245 COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OC3CSC3)OC 1 4.113 0 4 -5.43644482576914 5342241 C1C(CS1)OC2=CC=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)Cl 1 4.811 0 2 2.0589119086255 5342192 C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)NC(=O)/C=C/C(=O)O 1 3.046 2 3 4.72764014416318 5342190 C1CC(OC1)CNC(=O)/C=C/C2=CC=CO2 1 1.259 1 3 0 -11.2038325444358 5342163 CCCCCCCC1=CNC(=C2C=CC(=O)C=C2)C=C1 1 3.815 1 1 -3.48058613412835 5342158 C1CC(OC1)CNC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 1.632 1 4 0 -12.2060114508864 5342041 COC1=CC=C/C(=C\NNC(=O)C(=O)N2CCCCCC2)/C1=O 1 -3.7e-002 3 4 0 -9.69914446760895 5342028 COC1=C(C=C(C(=C1)/C=C(\C(=O)N2CCOCC2)/NC(=O)C3=CC=CC=C3)[N+](=O)[O-])OC 1 1.75 3 7 0 -23.8654393046084 5341979 COC1=C/C(=C/NNC(=O)C(=O)N2CCCCCC2)/C=CC1=O 1 -3.7e-002 3 4 0 -7.76442919152353 5341971 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)N3CCN(CC3)C4=CC=CC=C4 1 2.49 4 1 -5.46117367739203 5341932 C1=CC=C2C(=C1)NC(=N2)/C(=C\C3=CC=C(C=C3)Cl)/NC(=O)C4=CC=CO4 1 4.287 3 2 2.54035287358285 5341912 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)/C=C/C5=CC=C(C=C5)[N+](=O)[O-] 1 3.152 4 5 0 -7.05469376424207 5341875 C1CCCN(CC1)C(=O)C(=O)NN/C=C/2\C=CC=CC2=O 1 0.275 3 3 0 -10.3306851706732 5341874 C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O)F 1 3.789 3 5 0 -10.7695125994592 5341764 C1=CC=C(C=C1)C2=CN=NC(=N2)NNC=C3C=CC(=O)C=C3 1 1.356 5 1 0 6.84582770103787 5341756 C1C2CC3CC1CC(C2)(C3)NC(=O)NN/C=C\4/C=CC(=O)C(=C4)O 1 0.943 3 3 0 -4.95854457184082 5341736 CC1=CC2=C(C=C1)N=C(N2)/C(=C\C3=CC=C(O3)[N+](=O)[O-])/C#N 1 3.477 4 3 0 2.01006207515758 5341734 C/C(=C\1/C=CC=CC1=O)/NNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.065 3 4 0 -16.0494956543491 5341693 CC1(OCCO1)CC(=O)NN/C=C/2\C=C(C(=CC2=O)O)Br 1 -0.932 2 5 0 -7.32759196979541 5341547 CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)NC=C3C=CC(=O)C=C3)C 1 1.693 3 4 0 -13.0227145362794 5341539 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)Cl)C 1 2.929 6 3 0 -13.0402021925085 5341508 CCOC1=C/C(=C/NNC2=NC(=O)C=C(N2)C)/C=CC1=O 1 -0.232 4 3 0 -8.70041842179004 5341375 C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C(=O)/C=C/C5=CC=C(C=C5)O 1 5.165 2 4 4.84762641253418 5341355 CC1=C(C=C(C=C1)N2C(=O)/C(=C\NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CN=C4OC)/C(=N2)C)C 1 2.596 6 4 0 -13.6737624317246 5341318 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C(=O)NC(=O)NC3=O 1 7.e-003 4 4 0 -7.41247337758342 5341295 COC1=CC(=CNNC(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3)C=C(C1=O)OC 1 1.233 4 7 0 -14.0933485877211 5341284 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C(=O)NC(=S)NC3=O 1 0.906 4 3 0 -5.48195127072763 5341256 C1COC2=C(O1)C=CC(=C2)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 3.382 1 5 -4.85651168847211 5341057 CCOC(=O)C1=C(/C(=N/NC2=CC=C(C=C2)C)/N=C1C)C 1 2.698 3 2 -6.57423049462434 5341050 CCOC(=O)C1=C(/C(=N/NC2=CC=CC=C2C)/N=C1C)C 1 2.698 3 2 -5.8394235146876 5340986 COC1=CC(=C(C=C1)OC)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-] 1 0.913 3 6 0 -12.117993474463 5340813 CC\1=NC2=CC=CC=C2/C1=N/NC3=CC=C(C=C3)OC 1 3.296 3 1 -4.02993136132503 5340847 COC1=CC=C(C=C1)/C=C/C(=O)NCCCN2CCOCC2 1 1.378 2 3 0 -9.40521735166412 5340837 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C(CC3=CC=CC=C3)C(=O)O 1 5.055 1 3 -7.69182449735538 5340822 C1C(OC2=CC=CC=C2O1)CNC=C3C=CC(=O)C=C3 1 1.708 1 3 0 -2.30151843371006 5340763 C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)NNC=C4C=CC(=O)C=C4 1 3.5e-002 6 3 0 -7.04309039178707e-002 5340755 CC1=C/C(=C\N/N=C(\N)/SC)/C(=O)C=C1 1 1.044 3 1 0 -1.80801006458732 5340726 CC\1=NN(C(=O)/C1=C(\C=C\C2=C(C(=CC=C2)OC)OC)/C3=CC=C(C=C3)Br)C4=CC=CC=C4 1 5.696 2 3 -2.39654212829389 5340713 COC1=C/C(=C/NNC(=O)C(=O)N2CCCC2)/C=CC1=O 1 -0.949 3 4 0 -7.40996067735545 5340670 C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)NNC=C4C=CC(=O)C=C4 1 1.581 6 1 0 1.87312373296298 5340655 CCOC1=CC(=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)OC)[N+](=O)[O-] 1 4.444 3 5 0 -8.80496859167885 5340590 CCOC(=O)C1=C(/C(=N/NC2=CC=CC=C2Cl)/N=C1C)C 1 2.877 3 2 -5.61751816325614 5340576 C1COCCN1C2=CC(=C(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4N3)[N+](=O)[O-])N5CCOCC5 1 3.171 6 4 0 -4.06227799260061 5340559 CCOC1=CC(=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)C)[N+](=O)[O-] 1 4.946 3 4 0 -8.24672581133515 5340558 C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-] 1 5.006 1 4 3.4537000236293 5340523 CCCCN1C2=CC=CC=C2N3C1=NCCC3.Br Br- 1 2.574 3 0 -7.71934055008601 5340503 CCOC1=C/C(=C/NNC(=O)C(=O)N2CCCC2)/C=CC1=O 1 -0.6 3 4 0 -9.35263953764537 5340492 C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)NN/C=C\4/C=CC(=O)C(=C4)O 1 1.044 6 2 0 1.34542727918883 5340468 C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)NN/C=C\4/C=CC(=O)C(=C4)O 1 -0.503 6 4 0 -0.598127357692014 5340461 CC(=O)N/C(=C/C1=CC2=C(C=C1)OCO2)/C(=O)NC(CC3=CC=CC=C3)C(=O)O 1 1.62 2 6 0 -19.0466810719032 5340460 CC1=CC2=NC(=C(N2C=C1)C(=O)NN/C=C/3\C=CC(=O)C(=C3)OC)C 1 0.632 4 3 0 -4.0436627461826 5340435 CCCN1C2=CC=CC=C2N=C1N/C=C/3\C=CC=CC3=O 1 2.762 3 1 -5.57525866107054 5340350 C1=CC=C2C(=C1)NC(=N2)/C(=C\C3=CC=C(C=C3)Br)/NC(=O)C4=CC=CO4 1 4.371 3 2 1.08369312848141 5340322 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)NNC=C3C=CC(=O)C=C3)NCC4=CC=CO4 1 1.811 7 3 0 0.382507716135527 5340317 CCOC(=O)C1=C(/C(=N/NC2=CC(=CC=C2)OC)/N=C1C)C 1 2.196 3 3 -6.25434815238779 5340266 CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 5.287 1 4 2.74182299816405 5340238 C1CN(N=C1N/C=C/2\C=CC=CC2=O)C3=CC=CC(=C3)C(F)(F)F 1 2.776 3 1 0.451995590563201 5340232 COC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2)[N+](=O)[O-] 1 2.96 2 4 -5.80049169581545 5340206 C1=CC=C(C=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-] 1 0.946 3 4 0 -9.8353119833027 5340178 CC1=CC=C(C=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)C3=CC=CC=C3 1 4.053 5 0 -8.53701581361563 5340173 C1=CC=C(C=C1)/C=C/C2=NN=C(S2)N 1 1.95 3 0 0 2.04406412201655 5340165 C1=CC=C(C=C1)CC2C(=O)N=C(S2)NNC=C3C=CC(=O)C=C3 1 2.314 3 2 -2.38823103374997 5340140 CC1=CC2=C(C=C1)N=C(N2)/C(=C\C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])/C#N 1 5.037 5 2 0 -0.653681925194067 5340125 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)N5CCOCC5 1 4.548 4 3 0 -6.49288314196193 5340071 CCOC1=CC(=C(C=C1)N/C=C/C(=O)C2=CC=CC=C2)[N+](=O)[O-] 1 3.27 2 4 -2.97741616631233 5340015 CCOC1=C/C(=C/NN2C(=NN=N2)N)/C=CC1=O 1 -1.06 6 2 0 -7.08794667076308 5339980 COC1=CC(=C2C3=C(CCC3)C4=C(N2)C=CC5=CC=CC=C54)C=C(C1=O)OC 1 3.747 1 3 -3.8918825300428 5339970 CC1=CC=C/C(=C\NC2=CC(=C(C=C2)OC)Cl)/C1=O 1 3.193 1 2 -5.28932862862068 5339969 C1=CC=NC(=C1)NN/C=C/2\C=C(C=CC2=O)Br 1 1.613 3 1 0 -3.07661166705395e-002 5339966 CCOC(=O)/C(=C\1/C2=CC(=C(C=C2CC(N1)(C)C)C)C)/N=O 1 3.317 2 3 -4.95960715083387 5339937 CC1=NC(=N/C(=C\2/C=CC=CC2=O)/N1)N 1 0.357 4 1 0 -3.79172808216034 5339908 CC1=CC=C/C(=C\NC2=CC3=C(C=C2)C4=CC=CC=C4O3)/C1=O 1 4.049 1 2 -5.73717182227984 5339896 CSC1=NC2=C(C3=CC=CC=C3NC4(O2)C5=CC=CC=C5NC4=O)N=N1 1 3.525 5 2 0 -7.73643893707953 5339889 CCC1=CC(=C(C=C1)O)N/C=C/2\C=CC=C(C2=O)C 1 3.246 1 2 -3.30024766500856e-002 5339862 CC1=C(C(=NN1)C)SC2=CC=CC=C2N/C=C/3\C=C(C=CC3=O)[N+](=O)[O-] 1 2.832 4 3 0 -2.16399811256001 5339832 C1=CC=C(C(=C1)C2=C/C(=C/3\C=CC=CC3=O)/NN2)[N+](=O)[O-] 1 1.242 3 3 0 -4.51969650128663 5339816 C1=CC=C(C=C1)C2=C/C(=C/3\C=C(C=CC3=O)Cl)/NN2 1 1.717 2 1 0 -0.57294360725273 5339762 COC1=C/C(=C/NNC(=O)CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)/C=CC1=O 1 1.284 3 4 0 -13.7065849313782 5339634 CCC1=CC(=C(C=C1)O)N/C=C/2\C=CC=CC2=O 1 2.799 1 2 0.434824464597699 5339594 C1=CC=C(C(=C1)C2=C/C(=C/3\C=CC=CC3=O)/NN2)Cl 1 2.013 2 1 -0.979136632012698 5339549 COC(=O)C(C1=CC=CC=C1)N2CCCCCC2.Cl Cl- 1 3.119 1 2 -8.85600745267137 5339458 CCOC(=O)C1=C2NC3=CC=CC=C3N2CCC1=O 1 2.058 2 3 -10.9506564354325 5339437 CC1=CC(=C(C2=C1C=CC(=N2)/C=C/C3=CC=CC=C3NC(=O)C)O)C 1 4.281 2 2 0.975950011913311 5339411 CC1CCCCN1C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 3.56 2 2 -2.96636656033162 5339344 CC1=C2CCCCC2=C(C(=O)N1)C(=O)/C=C/C3=CC=CC=C3OC 1 3.429 1 3 -10.1956561261407 5339342 CC1=CC(=C(C(=O)N1)C(=O)/C=C/C2=CC=C(C=C2)C(C)C)C 1 3.653 1 2 -11.3863057744098 5339341 CC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(NC2=O)C)C 1 2.945 1 2 -11.8580620653952 5339250 C1=CN(C(=C1)/C=C/C2=NC(=O)NC(=C2)C(F)(F)F)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.137 4 3 0 -4.16728038735967 5339225 COC1=CC(=CC(=C1OC)OC)/C=C/C2=NC(=O)NC(=C2)C(F)(F)F 1 3.026 2 4 -6.5589928800487 5339155 CC1=CC(=C(C(=O)N1)C(=O)/C(=C/C2=CC=C(C=C2)Br)/C)C 1 3.653 1 2 -13.7857168416538 5339154 CC1=CC(=C(C(=O)N1)C(=O)/C(=C/C2=CC=C(C=C2)Cl)/C)C 1 3.569 1 2 -12.3290570965523 5339153 CC1=CC(=C(C(=O)N1)C(=O)/C(=C/C2=CC=CC=C2F)/C)C 1 3.11 1 2 -13.6434880632553 5339151 CC1=CC(=C(C(=O)N1)C(=O)/C(=C/C2=CC=CC=C2OC)/C)C 1 2.888 1 3 -15.5561809232487 5339150 CC1=CC(=C(C(=O)N1)C(=O)/C(=C/C2=CC=CC=C2)/C)C 1 2.905 1 2 -14.3229996042235 5339139 COC1=CC=CC(=C1)N/C=C/2\C=CC(=O)C=C2O 1 1.545 1 3 0 -2.21785682880869 5339088 CC1=C(C(=CC=C1)C)OCC(CNC(C)(C)C)O.Cl Cl- 1 2.809 1 2 -5.83325142611655 5339079 CC1=C2C(=O)C=C(NC2=NC(=N1)C3=CC=CC=C3)C4=CC=CC=C4 1 3.152 3 1 1.12455552449953 5339074 C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N=C(S2)N 1 2.464 2 1 4.07271643762606 5339059 CC(C)NC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2 1 2.615 3 4 0 -23.7400338710841 5338999 CC1(CC2=CC=CC=C2/C(=C/C(=O)NC)/N1)C 1 1.398 2 1 0 -8.55983654983302 5338969 COC1=CC(=C/C(=C\NC2=NC=NN2)/C1=O)Br 1 6.9e-002 4 2 0 -3.35427379030255 5338879 CC1=CC(=O)N/C(=C\2/C=CC=CC2=O)/N1 1 0.395 2 2 0 -10.0322757447293 5338837 COC1=NC=NC(=C1)NN/C=C/2\C=CC=CC2=O 1 1.055 4 2 0 -4.77773416664627 5338781 C1=CC(=O)C=CC1=CNNC2=NC=C(C=N2)Br 1 0.625 4 1 0 -0.150475718102551 5338763 C1=CC=C(C=C1)/C(=N/OC(=O)C2=CC(=CC=C2)F)/N 1 2.592 2 2 2.90395907188589 5338762 C1=CC=C(C=C1)/C=C/C(=O)O/N=C(/C2=CC=CC=C2)\N 1 2.854 2 2 0.919773638996467 5338754 CC1=CC=CC=C1C(=O)O/N=C(/C2=CC=CC=C2)\N 1 2.873 2 2 0.83606010664749 5338745 COC1=CC=C(C=C1)C(=O)O/N=C(/C2=CC=CC=C2)\N 1 2.37 2 3 2.17877088836332 5338744 C1=CC=C(C=C1)/C(=N/OC(=O)C2=CC=C(C=C2)F)/N 1 2.592 2 2 3.23257117433766 5338734 C1=CC=C(C=C1)/C(=N/OC(=O)C2=CC=C(C=C2)Br)/N 1 3.135 2 2 2.88603309435779 5338656 C1=CC(=CC=C1N/C=C\2/C=CC(=O)C(=C2)O)O 1 1.319 1 3 0 -0.131378475981919 5338599 C1=CC(=CC(=C1)N/C=C/2\C=C(C=C(C2=O)Cl)Cl)C(=O)N 1 1.839 2 2 0 -5.68525358224659 5338597 CCOC(=O)C1=C(NC(=O)NC1/C=C\C2=CC=CC=C2)C 1 1.881 2 3 0 -19.8626865789357 5338522 C1=CC=C2C(=C1)C=C/C(=C\NC3=CC=CC4=NSN=C43)/C2=O 1 3.287 3 1 -0.296495728878078 5338551 C1=CC=C2C(=C1)NC(=C(N2)N=C3C=CC(=O)C=C3)NC4=CC=C(C=C4)O 1 3.869 4 2 -0.296925513755662 5338538 CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC3=CC=CC=C3 1 4.038 0 3 -2.78452250412488 5338488 CC(=O)C1=CC(=CC=C1)NC(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CC=C3 1 2.16 3 3 -18.2942877989491 5338471 C1=CC=C2C(=C1)C=C/C(=C\NC3=NC=NN3)/C2=O 1 0.988 4 1 0 -3.41570300201947 5338434 CC1=C/C(=C\NN2C=NN=C2)/C(=O)C(=C1)[N+](=O)[O-] 1 -0.443 5 3 0 -4.44084344195752 5338430 C1COCCN1C(=O)/C(=C/C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CC=C3Cl 1 3.301 2 3 -18.6614144385258 5338423 COC1=CC=CC(=C1OC)/C=C/C2=CC=NC=C2.Cl Cl- 1 2.632 1 2 1.27221876297018 5338376 CC1=NC2=C(CCCC2)C=C1C(=O)/C=C/C3=CC=C(C=C3)Br 1 5.102 1 1 -3.5560190528975 5338374 COC1=CC=C(C2=CC=CC=C21)/C=C/C(=O)C3=CC=NC=C3 1 3.443 1 2 4.42621407417544 5338368 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)C3=CC(=CC=C3)Br 1 2.51 3 1 -4.20504359471436 5338262 C/C(=C\COC1=CC(=O)NC2=CC=CC=C21)/CCC(C(C)(C)O)O 1 2.164 1 4 -10.1681375728021 5338258 C1=CC=C2C(=C1)C=CC=C2/C=C/C(=O)C3=CC=NC=C3 1 3.459 1 1 4.39388000154456 5338240 C1=CC=C(C=C1)S(=O)(=O)OC2=CC3=CC=CC=C3C(=C2)S(=O)(=O)[O-].[Na+] Na+ 1 0.961 0 6 0 -7.56160734102081 5338235 C1=CC=C(C=C1)/C=C(/C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)\NC(=O)C3=CC=CC=C3 1 3.274 2 5 0 -19.1529343990397 5338232 CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)NCC(=O)O 1 -0.188 2 4 0 -16.8154188379409 5338228 CC(C(=O)O)NC(=O)/C(=C/C1=CC=CC=C1)/NC(=O)C 1 0.296 2 4 0 -17.5077990017236 5338223 C1=CC=C2C(=C1)/C(=C/NNC(=O)CSC3=CC=CC=N3)/C=N2 1 1.466 4 1 0 -7.9957683141549 5338179 CCOC(=O)/C(=C\C=C\C1=CC=CC=C1)/NC(=O)C2=CC=CC=C2 1 3.458 1 3 -7.67953215563131 5338173 CCN(CC)C(=O)/C(=C\C1=CC=CC=C1OCC)/NC(=O)C2=CC=CC=C2 1 3.23 2 3 -15.9758386222599 5338171 CCCCN1C(=O)/C(=C\C2=CNC3=CC=CC=C32)/C(=O)NC1=O 1 2.692 3 3 -1.03461048390994 5338148 CC1=CC(=CC=C1)NC=C2C(=O)N(C(=O)N(C2=O)C)C 1 1.103 3 3 0 -7.02121236559582 5338142 C=CCN1C(=O)/C(=C/C2=CC3=CC=CC=C3N2)/C(=O)NC1=S 1 3.171 3 2 -3.79913905971696 5338138 CN1C(=O)C(=CNC2=CC=C(C=C2)OC)C(=O)N(C1=O)C 1 0.601 3 4 0 -8.93916581894038 5338135 CCN1C2=CC=CC=C2C(=O)C(=C3NC4=CC=CC=C4N3)C1=O 1 2.749 3 2 -4.88252103107998 5338122 C1=CC=C(C=C1)C(=O)/C=C/2\NC3=CC=CC=C3N\C2=C/C(=O)C4=CC=CC=C4 1 4.404 2 2 -3.31347537032839 5338106 CCCCCN1C2=CC=CC=C2C(=O)/C(=C\3/NC4=CC=CC=C4C(=O)N3)/C1=O 1 3.585 3 3 -7.39334980227592 5338002 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.656 4 3 0 -8.07717908567177 5337955 COC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC=CO2)/N 1 1.765 2 4 0 3.32250704807253 5337937 CCCCC1=NN=C2C1=C(CC(C2)(C)C)NO 1 2.17 3 1 -6.64272015417983 5337909 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)OC3CCCCC3 1 3.161 2 2 -9.23202268495315 5337908 COC1=CC=C(C=C1)/C=C\C(=O)C2C(=O)C3=CC=CC=C3C2=O 1 3.147 0 4 0.310871292395561 5337895 C1=CC=C(C(=C1)C(=O)NN/C=C\2/C=CC=N2)[N+](=O)[O-] 1 0.271 4 3 0 -9.30583291953776 5337893 CSC1=NC(=NC2=C1C(=O)C=CN2)C3=CC=CC=C3 1 2.674 3 1 -2.52181104459948 5337892 CC1=C2C(=O)C=CNC2=NC(=N1)C3=CC=CC=C3 1 1.403 3 1 0 0.68294997954849 5337890 CC(=O)N/C(=C\C1=CC(=C(C=C1)OC(=O)C)OC)/C(=O)NC2=CC(=CC=C2)O 1 1.416 2 6 0 -12.9919081448441 5337889 CC(=O)N/C(=C\C1=CC(=C(C=C1)OC(=O)C)OC)/C(=O)NC2=CC=C(C=C2)OC 1 1.642 2 6 0 -15.6280264353388 5337862 COC(=O)CSC1=C(C(=C2C=CC(=O)C=C2)C(=C(N1)N)C#N)C#N 1 0.75 4 3 0 -14.6298613662607 5337852 CCOC(=O)/C(=C\C1=CC=CO1)/C#N 1 1.736 1 3 0 -10.1045156892094 5337812 CC\1=NC2=CC=CC=C2/C1=C/NNC3=CC=C(C=C3)[N+](=O)[O-] 1 2.422 4 2 -1.19462411445533 5337811 CCN(CC)C1=CC=C(C=C1)N/C=C/2\C(=NC3=CC=CC=C32)C 1 3.714 3 0 -8.15399112322866 5337769 CC(=O)NC1=CC=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)/C=C/C(=O)C3=CC(=CC=C3)NC(=O)C 1 3.814 2 4 -3.67026325717077 5337766 C1=CC(=O)C=CC1=CC2=C(NOC2=O)C3=CC=C(C=C3)Cl 1 2.478 1 3 1.17554915086301 5337677 CCOC(=O)C(CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C)/NC(=O)C)N3C(=O)C4=CC=CC=C4C3=O 1 2.803 3 8 0 -23.6846497214563 5337678 CCOC(=O)C(CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O 1 4.699 3 6 0 -26.35919166208 5337733 CC1=CC=C(C=C1)NC=C2C(=O)N(C(=O)N(C2=O)C)C 1 1.103 3 3 0 -8.52619960979624 5337674 CC1=CC(=C(C(=O)N1N/C=C/2\C=NC3=CC=CC=C32)C#N)C 1 1.327 4 1 0 -3.39092597688538 5337656 CCOC1=CC(=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] 1 4.428 3 6 0 -12.596178770453 5337628 C1CS(=O)(=O)CC1NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CC=C3 1 0.897 2 5 0 -23.0106405296537 5337626 CC1=CC(=C(C=C1)C)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)/C=C/C2=CC=CC=C2 1 6.606 3 1 -16.1402799128805 5337624 C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC(=CC=C2)Cl 1 6.298 3 1 -13.1115402487709 5337617 COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)O 1 2.394 0 5 -0.116502002225875 5337610 CC(=O)N1C(C2CCC/C(=C\C3=CC=CC=C3)/C2=N1)C4=CC=CC=C4 1 4.203 2 1 -6.41001902034386 5337570 C1=CC=C2C(=C1)/C(=C/NNC(=S)N)/C=N2 1 0.8 4 0 0 -1.31898684153609 5337543 CCC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC 1 1.716 5 6 0 -14.7503895635018 5337472 CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C(\C#N)/C3=C(C(=NN3)N)C#N 1 3.647 6 3 0 -5.87199374848677 5337466 CC(C)CC1=C(N=C(NC1=O)SCCN2CCOCC2)O.Cl Cl- 1 2.33 3 3 -12.1087183965304 5337459 CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NC4=CC=C(C=C4)O.Br Br- 1 2.511 5 1 7.41356017387844 5337456 COC1=C(C=C2C(=C1)C3=C(NN(C3=NC24C5=CC=CC=C5NC4=O)C6=CC=CC=C6)CC7=CC=CC=C7)OC 1 4.516 4 3 0 -6.06199105476274 5337450 CCC1=C2C3=CC(=C(C=C3C4(C5=CC=CC=C5NC4=O)N=C2N(N1)C6=CC=CC=C6)OC)OC 1 3.484 4 3 0 -5.62324314106361 5337449 CC1=C2C3=CC(=C(C=C3C4(C5=CC=CC=C5NC4=O)N=C2N(N1)C6=CC=CC=C6)OC)OC 1 2.96 4 3 0 -6.87366665655114 5337446 CC1CC2=CC(=O)C=CC2=C(C1)NNC(=O)C3=CC(=CC=C3)F 1 2.576 2 2 -4.57339793644741 5337444 C1=CC=C(C(=C1)/C=C/C2=NC(=NC=C2)NS(=O)(=O)C3=CC=C(C=C3)N)F 1 2.933 4 2 -5.03170955005291 5337386 CC1=C(C=C(C=C1)N\2C(=C(C(=O)/C2=C\C3=CC=CS3)C(=O)OC)C)C 1 4.56 1 3 -8.30198199720192 5337388 CCOC(=O)C1=C(N/C(=C/C2=C(C=CS2)C)/C1=O)C 1 2.215 1 3 -13.5215879751231 5337390 CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)NCC3CCCO3)C 1 3.357 3 2 -18.8014006911904 5337394 CC1=C(C(=O)/C(=C\C2=CC=CS2)/N1C3=CC=CC=C3)C(=O)OC 1 3.588 1 3 -8.58716228026569 5337401 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)/C=C(\C#N)/C(=O)NCC3CCCO3 1 3.535 3 2 -16.7911054062698 5337433 CCCC1=N/C(=C\2/C=CC=CC2=O)/N(N1)C3=CC=CC=C3 1 3.45 3 1 -3.41143457713458 5337427 C1=CC(=CC=C1/C=C/C2=NC(=NC=C2)NS(=O)(=O)C3=CC=C(C=C3)N)Cl 1 3.392 4 2 -2.05088913114739 5337416 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2CCCO2)OCC(=O)N 1 0.524 3 5 0 -25.4151156341261 5337414 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)/C=C/C(=O)C4=CC=CO4 1 4.119 3 2 10.776236824324 5337404 COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C(=O)NCC2CCCO2 1 1.654 2 5 0 -20.3686997836225 5337366 CC\1=NNC(=O)/C1=C\C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4 1 3.631 4 1 5.44850317097449 5337363 C1CC(OC1)CNC(=O)/C(=C/C2=CNC3=CC=CC=C32)/C#N 1 1.997 3 2 0 -14.9529808210616 5337351 CC1=CC=CC=C1NC(=O)/C(=C\C2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)O)C)/C#N 1 4.204 3 3 -17.1794515070362 5337350 CN1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)OC)/NC(=O)C3=CC(=C(C=C3)OC)OC 1 2.108 3 5 0 -20.0044807959446 5337349 COC1=C/C(=C/C2=C(NOC2=O)C3=CC=C(C=C3)Cl)/C=CC1=O 1 2.166 1 4 1.06721069514233 5337336 CN1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)OC)/NC(=O)C3=CC=CC=C3 1 2.141 3 3 -15.997930862757 5337335 CC1=CC(=CC=C1)NC(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/C#N 1 3.037 2 3 -11.2121425986315 5337330 CN1CCN(CC1)C(=O)/C(=C/C2=CC(=C(C=C2)OC)OC)/NC(=O)C3=CC=CC=C3 1 2.125 3 4 0 -19.8870732522496 5337316 CN1CCN(CC1)C(=O)/C(=C\C2=CC=C(C=C2)SC)/NC(=O)C3=CC=CC=C3 1 2.699 3 2 -13.379847713143 5337303 C1CCN(CC1)C2=CC=C(O2)/C=C(/C#N)\C(=O)NC3=CC=C(C=C3)Cl 1 4.185 3 2 -9.24588678878912 5337291 CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)/C(=O)NC2=O 1 4.632 2 6 0 2.69348452330751 5337288 COC1=C/C(=C/C2=C(NOC2=O)C3=CC=CC=C3)/C=CC1=O 1 1.501 1 4 0 -1.22930441175968 5337284 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=NC=C3 1 3.822 2 2 -2.06671634368458 5337274 C1CS(=O)(=O)CC1NC(=O)/C(=C/C2=CC=C(C=C2)F)/C#N 1 1.058 2 3 0 -17.4455895773026 5337262 COC1=C(C=C(C=C1)CCN2C(=O)/C(=C/3\C4=CC=CC=C4NC3=O)/SC2=S)OC 1 3.834 2 4 -14.7196687938448 5337240 CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(=O)/C(=C/C(=O)OC)/N3 1 1.256 5 4 0 -4.93474459992177 5337233 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2F)/C3=NC(=S)NN3 1 3.544 4 1 -5.56507128186827 5337202 CCCC1=CC=C(C=C1)/C=C\2/C(=C(/O)\OCC)/C(=O)C3=CC=CC=C3C2=O 1 5.309 0 4 -0.949850640297426 5337196 CCCCC1=CC=C(C=C1)/C=C\2/C(=C(/O)\OCC)/C(=O)C3=CC=CC=C3C2=O 1 5.765 0 4 -2.92860199653441 5337190 CCC1=CC=C(C=C1)/C=C\2/C(=C(/O)\OCC)/C(=O)C3=CC=CC=C3C2=O 1 4.852 0 4 -2.34489956560894 5337180 CC\1=NN(C(=O)/C1=C/C2=CC=CC=C2OC)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.912 3 4 0 -5.75836157351419 5337137 C1=CC=C(C(=C1)/C=C/C2=NC(=O)NC(=C2)C(F)(F)F)C(F)(F)F 1 4.017 2 1 -4.50234779467181 5337128 CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)C=C3C=C(C(=O)C(=C3)OC)OC 1 0.906 2 6 0 -3.64238223940809 5337126 CCOC1=C/C(=C/C=C\2/C=C(NC(=O)N2)C(F)(F)F)/C=CC1=O 1 1.425 2 3 0 -2.9546508308956 5336979 C1=CC(=C(C=C1Cl)Cl)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-] 1 2.275 3 4 0 -7.20417409529484 5336949 CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C)C3=CC=CC=C3[N+](=O)[O-])/O 1 2.756 2 5 0 -5.83378742391125 5336946 C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCO)C3=CC=C(C=C3)Br)/O 1 2.585 1 4 -5.13637780247362 5336934 CN1C(/C(=C(/C2=CC=C(C=C2)Br)\O)/C(=O)C1=O)C3=CC=C(C=C3)Cl 1 3.788 1 3 -1.03605457003566 5336900 CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C)C3=CC=C(C=C3)Br)/O 1 3.61 1 3 -2.85805326062248 5336886 CN1C(/C(=C(/C2=CC=C(C=C2)Br)\O)/C(=O)C1=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.018 2 5 0 -7.13856396127651 5336857 CN1C(/C(=C(/C2=CC=CC=C2)\O)/C(=O)C1=O)C3=CC=CC=C3 1 2.376 1 3 -4.76442491992568 5336832 CN1C(/C(=C(/C2=CC=CC=C2)\O)/C(=O)C1=O)C3=CC=C(C=C3)Br 1 3.124 1 3 -3.65370082813182 5336829 C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2CCCO 1 2.647 1 4 -5.44156051178405 5336824 CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C)C3=CC(=CC=C3)[N+](=O)[O-])/O 1 2.756 2 5 0 -7.50390290676189 5336820 C1CCOC2=C(C=CC(=C2)C(=O)/C=C/C3=CC=CC=C3)OC1 1 4.13 0 3 -1.79693769560462 5336771 CC1C(=NNC1=O)C(=O)NN/C=C/2\C=CC=C(C2=O)OC 1 -1.187 4 4 0 -11.9299180119959 5336649 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C/3\C4=CC=CC=C4C(=O)N(C3=O)CC5=CC=CO5 1 1.73 4 4 0 -14.0070625901704 5336612 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C/3\C4=CC=CC=C4C(=O)N(C3=O)C 1 0.964 4 3 0 -13.5969937630688 5336569 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O 1 3.622 0 3 7.61964029307671 5336534 CC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)SC 1 3.364 1 2 0.162050020489071 5336533 C1=CSC(=C1)C(=O)/C=C/C2=CC=C(C=C2)N 1 2.908 1 1 -1.78195717914742 5336464 COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OC3CSC3 1 4.13 0 3 -0.321329562305024 5336454 COC1=C/C(=C(/N2CCCCC2)\S)/C=CC1=O 1 2.427 1 2 -0.996734629559283 5336445 COC1=C(C2=C(C=C1)C3CC(=C4C=CC(=O)C=C4)NN3C2=O)OC 1 1.008 2 4 0 -5.43209966924641 5336432 CC(C)N1C2=CC=CC=C2/C(=C\C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)/C1=O 1 4.591 3 2 -8.80933675319973 5336431 CCN1C2=CC=CC=C2/C(=C\C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)/C1=O 1 4.213 3 2 -8.24087006801153 5336419 C1=CC=C2C(=C1)C(=O)N=C(N2)/C=C/C3=CC(=CC=C3)Br 1 3.709 2 1 -0.495237671291724 5336418 C1=CC=C(C(=C1)/C=C/C2=NC(=O)C3=CC=CC=C3N2)F 1 3.166 2 1 -4.19881847162772 5336415 CN(C)C1=CC=C(C=C1)/C=C/C2=NC(=O)C3=CC=CC=C3N2 1 3.123 3 1 -5.53287012490926 5336414 C1=CC=C2C(=C1)C(=O)N=C(N2)/C=C/C3=CC=C(C=C3)Br 1 3.709 2 1 -2.50624480081122 5336393 CCCN1C2=C(C=C(C=C2)C)/C(=C\C3=NC(=O)C4=CC=CC=C4N3)/C1=O 1 3.44 3 2 -4.39870444742794 5336380 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 4.249 2 4 -4.45618816097437 5336330 CCOC(=O)/C(=C\C1=CN=CC=C1)/C(=O)C2=CC(=C(S2)NC3=CC=CC=C3)C(=O)C 1 4.083 2 4 -3.65675243842229 5336292 COC1=C(C=C(C=C1)[N+](=O)[O-])C2NN/C(=C\3/C=CC=CC3=O)/S2 1 2.384 3 4 0 -7.54807212572795 5336260 COC1=C(C=C(C(=C1)/C=C(\C(=O)NC2=CC=C(C=C2)O)/NC(=O)C3=CC=CC=C3)[N+](=O)[O-])OC 1 3.191 3 7 0 -17.4593697969794 5336254 C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCC(=O)C4=CC=CC=C4)O 1 4.133 0 5 -2.15656868334602 5336233 C1COC2=C(O1)C=CC(=C2)C(=O)/C=C/C3=CC=NC=C3 1 2.337 1 3 -2.5733239643108 5336230 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)CN3N=C(N=N3)C4=CC=CC=C4 1 1.289 7 1 0 -3.12870326808564 5336215 COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/NC(=O)C3=CC=CC=C3 1 3.416 3 7 0 -19.5834372683533 5336170 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NNC3=C4C=CC=CC4=NC3=O 1 0.642 7 2 0 -5.61835102136238 5336169 C1=CC=C(C=C1)/C=C/C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.876 3 2 -5.45853980429053 5336158 COC1=C(C=C(C(=C1)/C=C(\C(=O)NC2=CC=CC=C2)/NC(=O)C3=CC=CC=C3)[N+](=O)[O-])OC 1 3.433 3 6 0 -19.7889295085402 5336094 CCOC(=O)/C(=C\C1=CC=CC=C1)/C(=O)C2=CC(=C(S2)NC3=CC=CC=C3)C(=O)C 1 5.234 1 4 -3.16832806468064 5336078 CC1=CC(=NO1)N/C=C/C(=O)C2=CC=C(C=C2)Br 1 2.457 2 2 -6.10999532983323 5336042 C/C(=C\C(=S)NC1=CC=CC=C1)/NC2=CC=C(C=C2)OC 1 4.292 2 1 -1.74790726629426 5336035 CC(C)(CO)N/C=C\1/C2=CC=CC=C2NC1=O 1 0.26 2 2 0 -5.78898004507149 5335990 C1CC2C=CC1C3C2C(=O)N(C3=O)NC=C4C=CC(=O)C=C4 1 0.535 2 3 0 0.385073248944939 5335985 C1=C(OC(=C1)[N+](=O)[O-])/C=C/C=C\2/C(=O)NC(=S)S2 1 2.723 2 4 8.71934081177529 5335981 COC1=CC=CC=C1OCC(=O)NN/C=C/2\C(=O)C=CC3=CC=CC=C32 1 1.876 2 4 0 -7.25164313699885 5335965 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC3=C(C=C2)OCCO3 1 3.438 0 6 -5.96558092879054 5335914 C1CC2C=CC1C3C2C(=O)N(C3=O)N/C=C/4\C=CC=CC4=O 1 0.535 2 3 0 -2.2895211859254 5335910 COC1=CC=CC=C1NN=C2N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.028 4 1 -2.25157586718136 5335875 COC1=CC(=CC(=C2NC3=CC=CC=C3N2)C#N)C=C(C1=O)OC 1 2.018 3 3 -3.76498489376063 5335850 CC(=O)N(C(=O)C)N1C(=NC2=CC=CC=C2C1=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 2.22 4 5 0 -6.56300654881284 5335808 C1=CC=C(C=C1)C\2=NN=C/C2=C\NNC(=O)C3=CN=CC=C3 1 0.728 5 1 0 -5.94803029848848 5335807 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Br)/C3=NC(=S)NN3 1 4.087 4 1 -5.39975793116231 5335800 C1=CC=C(C=C1)N/C=C\2/C(=O)C3=CC=CC=C3S2 1 3.035 1 1 -1.11916339917804 5335769 CC\1=NN(C(=O)/C1=C/NNC2=NC(=CN=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 1.633 7 1 0 3.96361167451279 5335764 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CN=CC=C3 1 3.822 2 2 -3.20258644594069 5335755 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)NN/C=C/3\C=CC(=O)C(=C3O)O 1 0.782 4 7 0 -17.3583837233148 5335747 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)NNC=C3C=CC(=O)C=C3 1 1.858 4 5 0 -15.380917792595 5335688 C1CCC(CC1)NC=C2C(=O)NC(=O)NC2=O 1 0.209 3 3 0 -5.19390232518656 5335678 CC1=CC=C(C=C1)N2C(=O)/C(=C\NC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)OC)/C(=N2)C 1 3.333 4 4 0 -10.5521408128665 5335616 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC3=NON=C3N 1 0.321 5 2 0 -3.17865155266618 5335570 CCOC(=O)CC1=CC(=C2C=CC(=O)C=C2)NC3=C1C4=CC=CC=C4C=C3 1 3.593 1 3 -6.91959648802208 5335557 C1=CC=C(C=C1)N2C(=O)/C(=N/NC3=CC=CC=C3[N+](=O)[O-])/C(=N2)N 1 1.99 6 3 0 -7.08087786487192 5335468 C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/C(=O)C3=CC=CO3)[N+](=O)[O-] 1 4.196 1 5 2.69010958661874 5335456 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C)C 1 2.171 6 3 0 -11.6042784209629 5335403 COC1=C(C(=O)/C(=C/NN2C(=NNC2=S)C3=CC=CC=C3)/C=C1Br)Br 1 2.664 4 2 -3.7384071626892 5335386 CC\1=NN(C(=O)/C1=C/NC2=NNN=N2)C3=CC=CC=C3 1 0.273 7 1 0 -6.1844263432991 5335370 C/C=C/COC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)C 1 1.852 2 5 0 -32.0449514448514 5335365 CC1=CC=C(O1)C(=O)NN/C=C/2\C=NC3=CC=CC=C32 1 1.224 3 2 0 -1.27747920543403 5335309 C/C=C/C=C(\C(=O)NC1=CC=CC=C1)/NC(=O)C2=CC=CC=C2 1 3.007 2 2 -12.647602306195 5335294 CCOC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2C(F)(F)F 1 4.976 0 2 2.35454536661114 5335247 C1CCC2=C(C1)C\3=C(O2)C=CC(=O)/C3=C\NC4=CC=CC=C4O 1 3.686 1 3 -2.8419464567667 5335221 C1CC12C3C=CC2C4C3C(=O)N(C4=O)N/C=C/5\C=C(C=CC5=O)[N+](=O)[O-] 1 -9.3e-002 3 5 0 -4.4717596254663 5335165 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C\4/C5=CC=CC=C5NC4=O)/SC3=S 1 2.631 4 3 0 -16.8861114436145 5335142 COC1=CC=C/C(=C\NNC(=O)C(=O)N2CCCC2)/C1=O 1 -0.949 3 4 0 -9.34467595344087 5335067 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NNC=C2C=CC(=O)C=C2 1 0.736 3 5 0 -7.5783447690342 5334847 C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=CS3)/C#N 1 3.53 3 0 -1.85849483571229 5334833 C1=CC(=CN=C1)C(=O)NN/C=C/2\C=C(C(=C(C2=O)Br)O)Br 1 0.223 3 3 0 -5.0408708991934 5334832 CC1=C(C=CO1)C(=O)NNC2=C3C=C(C=CC3=NC2=O)Br 1 0.817 3 3 0 -5.44023865320285 5334804 COC(=O)C1=CC=C/C(=C\NNC(=S)N)/C1=O 1 -6.2e-002 3 3 0 -7.74931111927246 5334713 C1CS(=O)(=O)CC1NC(=O)/C=C/C2=CC=CC=C2Cl 1 1.678 1 3 0 -11.7080680503448 5334597 COC1=CC=C/C(=C\NNC(=O)NN/C=C\2/C(=O)C(=CC=C2)OC)/C1=O 1 -1.317 4 5 0 -3.67516475932163 5334545 C1=CC=NC(=C1)CNC(=O)C(=O)NN/C=C/2\C=CC=CC2=O 1 -0.656 4 3 0 -12.2627650502767 5334510 CCOC1=CC(=C(C=C1)N/C=C/C(=O)C2=CC=C(C=C2)OC)[N+](=O)[O-] 1 3.253 2 5 0 -2.74001137914668 5334489 CCN(CC)C1=CC(=C(C=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3N2)OC(C)C 1 5.147 4 1 -5.52293277260087 5334477 C1=CC(=O)C=CC1=CNNC2=NC=C(C=C2)C(F)(F)F 1 1.465 3 1 0 3.76252271602395 5334457 CC(/C=C/C1=CC=CC=[N+]1C)O.[I-] I- 1 1.966 1 1 0 0.832584335799631 5334434 CCCCN/C=C\1/C(=O)C2=C(S1)C=CC(=C2)OCC 1 2.842 1 2 -6.21635375469132 5334401 C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O 1 4.985 2 3 2.24031382680542 5334380 C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 4.801 1 4 1.7777624336423 5334290 CCN(CC)C1=CC(=C(C=C1)/C=C(/C#N)\C2=NC3=C(N2)C=C(C=C3)C)OC(C)C 1 5.633 4 1 -4.37669592401344 5334246 CCOC1=C/C(=C/NNC(=O)C(=O)NN/C=C\2/C=CC(=O)C(=C2)OCC)/C=CC1=O 1 -1.262 4 6 0 -5.10602063881891 5334234 CCCCS/C(=N/N/C=C/1\C=CC=CC1=O)/N 1 1.927 3 1 0 -4.908221949951 5334230 COC1=C(C=C(C=C1)/C=C(\C2=NC3=CC=CC=C3N2)/NC(=O)C4=CC=CC=C4)OC 1 4.194 3 3 -4.92098470687025 5334179 CCOC1=CC(=C/C(=N\NC2=CC(=CC=C2)[N+](=O)[O-])/C1=O)C=O 1 2.09 3 5 0 -4.33502001121587 5334123 CN1C=C(C=CC1=O)C(=O)NN/C=C/2\C(=O)C=CC3=CC=CC=C32 1 6.9e-002 3 3 0 -4.18188915313741 5334060 C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C(=O)NNC=C3C=CC(=O)C=C3.[Cl-] Cl- 1 2.195 3 2 -1.9393502430192 5334054 CCOC1=C/C(=C/NN2C=NN=C2)/C=CC1=O 1 -0.595 4 2 0 -3.79713583609058 5334028 C1=CC(=C(C=C1[N+](=O)[O-])/C=C/2\C(=O)NC(=S)N2)O 1 1.482 3 4 0 -3.54419894748203 5333986 CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4 1 3.16 5 4 0 -12.9225214579074 5333976 C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NNC=C3C=CC(=O)C=C3.[Br-] Br- 1 1.867 3 3 0 -5.05677555289939 5333975 CC1=C2C=CC(=NC2=C(C=C1)O)/C=C/C3=CC=CC=C3NC(=O)C 1 3.795 2 2 -0.301169915345579 5333974 CC1=CC(=O)/C(=C\2/C=C(NN2)C3=CC=CC=C3Cl)/C=C1 1 2.459 2 1 -1.12331722439499 5333955 C[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(C)C.[I-] I- 1 3.583 2 0 0.827768516093965 5333851 C1=C/C(=C/2\C=C(NN2)C3=CC=C(C=C3)Cl)/C(=O)C=C1 1 2.013 2 1 0.389318280848865 5333786 C1=CC=C(C(=C1)C2=C/C(=C/3\C=C(C=CC3=O)Cl)/NN2)Cl 1 2.381 2 1 -0.461012414730752 5333761 CC\1=NN(C(=O)/C1=N\NC2=CC=C(C=C2)C(=O)C)C3=CC=CC=C3 1 2.563 4 2 -9.09466656613266 5333681 C1=CC(=CC=C1C(=O)NN/C=C/2\C=C(C=CC2=O)Cl)Br 1 2.124 2 2 -3.59148339403329 5333607 CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)C2=CC=C(C=C2)Br 1 5.149 2 1 -12.2470796138553 5333587 CC\1=NN(C(=O)/C1=N\NC2=CC(=CC=C2)OC)C3=CC=CC=C3 1 2.807 4 2 -4.5096092209868 5333457 C1=CC=C(C=C1)C(=O)NN/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.845 3 4 0 -3.40763645024809 5333448 CC\1=NOC(=O)/C1=C/C2=CC=C(C=C2)N(C)C 1 1.875 2 2 0 0.921531139496279 5333438 C1=CC(=C(C=C1O)NC(=O)/C=C\C(=O)O)[N+](=O)[O-] 1 0.846 2 6 0 -3.51468932405646 5333436 CN(C1=CC=CC=C1)N/C=C/2\C=C(C=C(C2=O)Br)Br 1 2.883 2 1 -0.317663509500414 5333428 CN(C1=CC=CC=C1)N/C=C/2\C=CC(=O)C(=C2)OC 1 1.666 2 2 0 -0.34210166527671 5333418 C1=CC(=O)/C(=C/NNC(=O)C2=CC=NC=C2)/C=C1[N+](=O)[O-] 1 -0.402 4 4 0 -5.83023398241193 5333417 C1=CC(=O)/C(=C/NNC(=O)C2=CC=NC=C2)/C=C1Cl 1 0.225 3 2 0 -4.77154017616838 5333392 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NC(CO)(CO)CO 1 -0.438 1 4 0 0.129787085559233 5333391 CC1=C(OC(=C1C#N)N/C=C/2\C=CC(=O)C=C2O)C 1 1.3 2 3 0 -3.15084760083439 5333390 CC1=C(OC(=C1C#N)N/C=C/2\C=CC=CC2=O)C 1 1.838 2 2 0 -4.97593841643879 5333270 COC1=C/C(=C(/N2CCOCC2)\S)/C=CC1=O 1 1.197 1 3 0 -2.56503107933487 5333208 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N/C=C/3\C=CC=CC3=O 1 2.884 2 2 -8.52641902602333 5333136 C/C(=C\C(=O)OC)/NC(=O)C1=CC=C(C=C1)F 1 1.613 1 3 0 -5.08193186872322 5333115 CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C)C.Br Br- 1 2.54 2 1 -2.84618640890059 5333112 C1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=CC=C2Cl 1 3.753 1 1 -4.57571188498413 5333098 C=CCC1=CC=C/C(=C\NC2=NC=NN2)/C1=O 1 0.896 4 1 0 -9.24553453620574 5333091 C=CCC1=CC=C/C(=C\NN2C=NN=C2)/C1=O 1 0.336 4 1 0 -7.17387893407522 5333085 CC1=CC(=NO1)N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 1.816 2 2 0 -7.26530240750668 5333053 C1=CC(=O)/C(=C/NC2=NC=CS2)/C=C1Cl 1 0.992 2 1 0 -3.56477878965706 5333039 CC1=CC(=NO1)N/C=C/2\C=C(C=CC2=O)Br 1 1.218 2 2 0 -9.24964307967186 5333005 C1=CC(=CC(=C1)[N+](=O)[O-])NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] 1 1.408 4 5 0 -0.989974276895945 5333000 CCOC1=CC=C/C(=C\NC2=CC(=CC(=C2O)C)C)/C1=O 1 2.866 1 3 -3.73889581290436 5332988 CN1C2=CC=CC=C2N=C1N/C=C/3\C(=O)C=CC4=CC=CC=C43 1 2.94 3 1 -0.517655183531153 5332958 C1=CC=C2C(=C1)NC(=N2)N/C=C/3\C=C(C=CC3=O)Cl 1 2.052 3 1 0.490362072960342 5332954 C/C(=C\1/C=C(C=CC1=O)Cl)/NC2=NC3=CC=CC=C3N2C 1 2.772 3 1 -1.29056462664603 5332924 CCOC(=O)/C(=C\1/C=C(N/C(=C\2/C=CC=CC2=O)/N1)C)/C#N 1 0.933 3 3 0 -11.1789053949777 5332872 CC1(CCCCC1=O)/[N+](=C/C2=CC(=CC=C2)Cl)/[O-] 1 2.782 1 2 6.06205731186979 5332871 CC1(CCCCC1=O)/[N+](=C/C2=CC=C(C=C2)F)/[O-] 1 2.323 1 2 4.15685706732529 5332850 CC1=NC(=NC(=C1)C2=CC=CC=C2)NNC(=C3C=CC(=O)C=C3)C 1 2.62 4 1 1.43700457409708 5332844 CC(=C1C=CC(=O)C=C1)NNC2=NC=CN=C2Cl 1 0.76 4 1 0 -0.397014034543487 5332809 CC(=C1C=CC(=O)C=C1)NNC2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.976 4 1 4.60922747552701 5332773 C1=CC=C(C=C1)/C(=N/OC(=O)C2=CC=CO2)/N 1 1.782 2 3 0 2.7713885145475 5332740 C1=CC=C(C=C1)/C(=N/OC(=O)C2=CC=CS2)/N 1 2.34 2 2 -0.969635948697397 5332729 C1=CC=C(C=C1)/C(=N/OC(=O)C2=CC(=CC=C2)Br)/N 1 3.135 2 2 2.52129627311931 5332708 C1=CC=C(C=C1)/C(=N/OC(=O)C2=C(C=C(C=C2)Cl)Cl)/N 1 3.715 2 2 7.40287236295687 5332683 C1=CC=C(C=C1)/C(=N/OC(=O)C2=CC=CC=C2Cl)/N 1 3.051 2 2 2.88892169714754 5332678 C1C2CC3CC1CC(C2)(C3)C(=O)O/N=C(/C4=CC=CC=C4)\N 1 3.278 2 2 3.21203052299067 5332621 C1=CC=C(C=C1)CC(=O)NN/C=C/2\C=C(C=C(C2=O)Cl)Br 1 1.863 2 2 0 -3.23738441302348 5332521 C1=CC=C2C(=C1)/C(=C/NNC3=CC=CC=C3[N+](=O)[O-])/C=N2 1 2.343 4 2 -0.462636211928301 5332505 CCCCC1=CC=C(C=C1)C2=CSC(=N2)/C(=C\C3=CC=C(O3)C)/C#N 1 5.859 2 1 -8.79628573954268 5332432 CC1=C2C(=C3C(=N1)CC(CC3=O)(C)C)C4=CC=CC=C4N2 1 3.441 2 1 -6.43981419690546 5332423 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NC3=CC=CC(=C3)C#N 1 3.028 2 1 -3.40355237277239 5332419 CC1=C(C=C(C=C1)N/C=C/2\C(=O)C=CC3=CC=CC=C32)F 1 3.841 1 1 0.337712410198859 5332379 CC1=C(C=C(C=C1)N/C=C/2\C=CC(=O)C=C2O)F 1 2.253 1 2 -0.418188688361984 5332376 CCC(=C1C=CC(=O)C=C1)NNC2=CC=CC=C2[N+](=O)[O-] 1 2.704 3 3 -3.13245565919127 5332363 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=CC(=C(C=C3)O)O)/C=N2 1 1.2 3 3 0 2.91584374942377 5332350 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)C3=CC(=NN3)C4=CC=CC=C4 1 2.444 5 1 -1.72247836248516 5332283 CCC(=C1C=CC(=O)C=C1)NNC(=C2C=CC(=O)C=C2)CC 1 2.216 2 2 -1.73590137351022 5332280 C1=CC=C2C(=C1)C(=O)N(C2=O)N/C=C\3/C=CC(=O)C(=C3)O 1 0.293 2 4 0 -1.85819965929822 5332260 C1=CC=C2C(=C1)/C(=C/NNC(=O)C3=CC=C(C=C3)Br)/C=N2 1 2.432 3 1 -1.99219056490287 5332224 CC1=C(C=C(C=C1)N/C=C/2\C=CC=C(C2=O)OC)F 1 2.478 1 2 -1.61173880090214 5332223 CC1=CC(=CC(=C1)N/C=C/2\C=CC=C(C2=O)OC)C 1 2.759 1 2 -2.72210450928568 5332177 CCCCCCNC=C1C(=O)N(C(=O)N(C1=O)C)C 1 1.004 3 3 0 -13.8155915880466 5332137 CC1=C(SC(=C1C#N)N/C=C/2\C=C(C=CC2=O)OC)C 1 2.084 2 2 -7.8708923126343 5332102 COC1=CC=CC=C1NC(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CC=C3 1 2.404 3 3 -19.8109734043561 5332096 CC1=CC(=C(C(=C1)C)NC=C2C(=O)NC(=O)NC2=O)C 1 1.664 3 3 0 -7.00894605882259 5332037 CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CC=C3 1 2.907 3 2 -16.3375017346416 5331956 CC\1=NN(C(=S)/C1=C/NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 1 3.806 4 2 -5.8456041108414 5331921 C/C(=C/1\C(=O)NC(=O)N(C1=O)C)/NC2=CC=CC=C2N 1 0.178 4 3 0 -7.02206648299085 5331896 C1=CC(=CC=C1C(=O)/C=C/NC2=CC=C(C=C2)[N+](=O)[O-])Br 1 3.686 2 3 -1.02876964946857 5331887 CC1=C(SC(=C1C#N)N/C=C/2\C=CC=CC2=O)C 1 2.396 2 1 -8.69065032017748 5331816 CC1=CC=CC=C1N/C=C/2\C=CC=C(C2=O)O 1 2.047 1 2 -3.86012398964936 5331785 C1=CC=C(C(=C1)N/C=C/2\C=C(C=C(C2=O)Br)Cl)Br 1 3.669 1 1 -0.289431667682608 5331746 C1=CC=C(C(=C1)NN/C=C/2\C=CC=C(C2=O)O)[N+](=O)[O-] 1 1.129 3 4 0 -2.67764780339398 5331684 C/C(=C\1/C=NC2=CC=CC=C21)/NNC3=CC=C(C=C3)[N+](=O)[O-] 1 2.857 4 2 -2.0987388493895 5331678 CC1=NC2=C(CCCC2)C=C1C(=O)/C=C/C3=CC=CC=C3F 1 4.559 1 1 -3.56500286787754 5351531 C[C@@]12CCC3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=COC=C5)(C(=O)CC6[C@@]37COC(=O)C[C@@H]7OC6(C)C)C 1 1.447 0 8 0 -2.76272557598875 5351523 COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)O 1 0.254 0 11 0 -13.7603638793748 5351481 C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)/C(=C(/N)\O)/C(=O)[C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)N(C)C)O.Cl Cl- 1 7.8e-002 2 8 0 -0.529938009024456 5351476 CC1(C2C(C3C(C(=O)/C(=C(/N)\O)/C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O 1 -1.586 2 9 0 -0.446111833776124 5351247 CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.[Cl-] Cl- 1 7.264 4 0 5.50563719945272 5351222 COC(=O)C1=C2C(=C(C=C1)O)NC3=C(C(=CC(=O)C3=N2)O)C=O 1 0.472 2 6 0 -7.64654202345444 5351216 CN1C(=O)C2=C(NC1=O)N=NC=N2 1 -0.508 5 2 0 -3.69018868509133 5351155 C1=CC=C2C(=C1)NC(=C3C=CC(=O)C=C3)S2 1 3.069 1 1 -1.28103677216459 5351121 C1=CC=NC(=C1)/C(=N/OC(=O)COC2=C(C=C(C=C2)Br)Cl)/N 1 2.912 3 3 2.33683779804499 5351116 CC1=CC(=C(C=C1)C(=O)O/N=C(/C2=CC=CC=C2)\N)Cl 1 3.537 2 2 7.54106040091269 5351113 CC1=CC(=C(C=C1)C(=O)O/N=C(/CC2=CC=C(C=C2)[N+](=O)[O-])\N)Cl 1 3.466 3 4 0 6.160045948414 5351112 CC1=CC=C(C=C1)/C(=N/OC(=O)C2=C(C=C(C=C2)C)Cl)/N 1 4.023 2 2 7.69029327621214 5351108 C1=CC(=CN=C1)/C(=N/OC(=O)COC2=C(C=C(C=C2)Br)Cl)/N 1 2.484 3 3 0.972059135940881 5351101 C1=CC2=C(C(=C1)O)N=C(C=C2)/C=C/C3=CC=C(S3)Br 1 4.71 1 1 6.58826407507986 5351087 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC3=CC=CC=C3C2 1 3.189 1 4 -12.2790056642268 5351083 C/C(=C\1/C(=O)NC(=O)N(C1=O)C)/NC2=CC=C(C=C2)F 1 1.13 3 3 0 -3.97425496097349 5351036 CCOC(=O)CCC1=C(C2=C(C=C(C=C2)O)OC1=O)C 1 2.759 0 5 -8.99827681456511 5331584 C1=CC=C(C(=C1)N/C=C/2\C=C(C=CC2=O)Cl)Br 1 3.216 1 1 -2.12482901465512 5331583 CC1=CC(=C(C(=O)N1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)C 1 2.227 1 4 -13.3365390929741 5331547 C1=CC=C(C(=C1)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-])[N+](=O)[O-] 1 1.408 4 5 0 -2.23923840639413 5331461 CC\1=NC2=CC=CC=C2/C1=C/NNC3=CC=CC=C3[N+](=O)[O-] 1 2.422 4 2 -2.6546263842524 5331488 C1=C/C(=C\NNC2=CC=C(C=C2)[N+](=O)[O-])/C(=O)C(=C1)O 1 1.129 3 4 0 -1.38605853060931 5331478 CC1=CC=C(C=C1)S(=O)(=O)N/C=C/2\C(=O)C=CC3=CC=CC=C32 1 2.738 1 3 -2.54262072787541 5331420 C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)NNC=C3C=CC(=O)C=C3 1 2.125 3 2 -4.0578466914363 5331434 CC1=CC(=N/C(=C/2\C=CC=CC2=O)/N1)N(C)N/C=C/3\C=CC=CC3=O 1 0.83 4 2 0 -8.61938267748536 5331396 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NN/C=C/3\C=C(C=C(C3=O)Br)Br 1 1.494 3 3 0 -13.8490764221684 5331379 CN1C(=O)/C(=C\NC2=CC=C(C=C2)OC)/C(=O)NC1=O 1 0.395 3 4 0 -4.90122202939505 5331347 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC(=O)C3=CN=C(C=C3)CO 1 0.517 3 3 0 -3.26608189497881 5331323 C1=C/C(=C/NNC(=O)C2=CC=C(C=C2)O)/N=C1 1 0.135 3 2 0 -2.43308929645342 5331296 CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O 1 3.622 1 2 0.993982874738023 5331295 COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O 1 3.443 0 3 3.24230304420654 5331294 CCCCC1=NN=C2C1=C(CC(C2)(C)C)NOCC 1 2.558 3 1 -6.87509631078441 5331293 CCCC1=NN=C2C1=C(CC(C2)(C)C)NOCC 1 2.102 3 1 -5.98902847011864 5331287 CC1=CC2=C(C(=O)N=C2C=C1Br)NNC(=O)CCC3=CC=CC=C3 1 2.505 3 2 -8.91978038758396 5331281 CC1=CC(=N/C(=C\2/C=CC=CC2=O)/N1)NN=CC3=CC=CC=C3 1 2.3 4 1 -9.04354332883612 5331263 CCCCC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/C3=CC=CO3)/C#N 1 5.714 2 1 -8.77859251542454 5331221 C1=CC=C(C=C1)CCNC=C2C=CC(=O)C=C2 1 2.149 1 1 -2.793487028898 5331210 C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=CC=NC=C3)/SC2=S 1 1.404 2 3 0 -14.7871870404622 5331198 CC\1=NN(C(=O)/C1=N/NC2=CC=C(C=C2)F)C3=CC=CC=C3 1 3.029 4 1 -3.76088076826447 5331193 C1=CC=C(C=C1)/C=C/C2=CC(=NC=N2)/C=C/C3=CC=CC=C3 1 4.88 2 0 2.57738476577211 5328807 C1=C(C=C(C(=C1O)O)O)/C=C(\C#N)/C(=C(C#N)C#N)N 1 0.399 4 3 0 -1.75796672200478 5328779 C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N 1 2.444 2 3 -7.51193973860271 5328773 C1=CC=C(C=C1)CCNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N 1 2.765 2 3 -7.90983358288724 5328772 C[C@H](C1=CC=CC=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N 1 2.822 2 3 -7.78166383154512 5328771 C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N 1 2.437 2 3 -6.51117768369122 5328760 C1=CC(=C(C=C1/C=C(\C#N)/C(=O)C2=CC(=C(C=C2)O)O)O)O 1 2.573 1 5 -1.13273315113378 5328015 COC1=CC=C(C=C1)CNC2=NC=NC3=CC=CC=C32 1 2.83 3 1 2.79555711773593 5324707 C/C=C/CC#N 1 1.179 1 0 0 -1.97110510161749 5324677 COC1=CC(=CC(=C1)/C=C/C(=O)O)OC 1 1.894 0 4 0 -1.89120652591835 5324325 CCC1=NC=CC2=C1NC3=CC=CC=C23 1 3.122 2 0 2.21978822656429 5323499 CC(C)C(CC(=O)NCCC1=CC(=C(C=C1)OC)OC)NS(=O)(=O)C2=CC=C(C=C2)OC 1 3.125 2 6 0 -22.2710262446304 5323496 C1CC(CCC1CNS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NCCN3CCOCC3 1 2.183 3 4 0 -17.0476382683841 5323495 COCCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.288 2 4 -18.4968696332487 5323494 CCOCCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.637 2 4 -20.0047815719785 5323487 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NC3CCCCCC3 1 3.127 3 4 0 -17.5854316629901 5323482 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CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 1.306 4 4 0 -8.96596632704899 5310250 CCC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=CC=C4OC)C(=O)N 1 3.212 5 3 0 -1.60371405335336 5310249 CC(C(=O)OC)SC1=NN2C(=NN=C2C3=CC(=CC=C3)F)C=C1 1 3.255 4 2 -5.64785522955421 5310248 COC1=CC=CC(=C1OC)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=CC=C4)Cl)C(=O)N 1 2.918 5 4 0 -1.21593883602394 5310247 COC1=CC(=CC(=C1OC)OC)C(C2=C(N3C(=NC=N3)S2)O)N4CCN(CC4)C5=CC=CC=C5F 1 4.31 5 4 0 -4.27878172513159 5310246 CC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)OC)C(=O)NC4=CC=NC=C4 1 2.44 4 2 0.553269195600062 5310245 CC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)F)C(=O)NCC(C)C 1 3.428 3 1 -1.72627741537444 5310241 CNC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.34 3 5 0 -32.5900528779258 5310240 C1=CC2=NC=C(C(=O)N2C=C1)C(=O)NCC3=CC=CO3 1 -0.306 3 3 0 -16.7705784931472 5310239 CC1=NC(=CS1)CNS(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 1.223 2 4 0 -7.37375224041761 5310238 COC1=CC=CC=C1N2CCN(CC2)C(CNC(=O)C3CCCCC3)C4=CN=CC=C4 1 3.713 4 2 -15.0273340209539 5310237 CC1=CC(=C2C(=C1)N(C(=NC(=O)C3CC3)S2)CC(=O)OC)C 1 3.586 2 3 -10.509404453472 5310207 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)F 1 4.43 4 2 -10.81215484222 5310206 CCOC(=O)C1=C(C=C(S1)NC(=O)C2CC2)C 1 2.476 1 3 -8.1223951701728 5310200 CC1=NC(=CS1)CNS(=O)(=O)C2=CC=CC=C2F 1 1.461 2 2 0 -7.59617646299355 5310198 C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(S4)Cl 1 3.291 3 1 2.10249035879353 5310195 CCOC(=O)CSC1=NN2C(=NN=C2C3=CC=NC=C3)C=C1 1 1.764 5 2 0 -11.8038334242107 5310194 C1CC2=CC=CC=C2N(C1)C(=O)CN3C=NC4=C(C3=O)N=NN4CC5=CC=CC=C5 1 2.648 6 2 0 -19.075476284506 5310193 CCN1CCN(C(=O)C1=O)CC(=O)NC2CCCC2 1 -0.232 3 3 0 -12.2101048628695 5310192 C1=COC(=C1)CNC(=O)CSC2=NN3C(=NN=C3C4=CC=NC=C4)C=C2 1 1.533 6 2 0 -16.2125845303697 5310191 CCC(=O)N=C1N(C2=CC(=CC(=C2S1)C)C)CC(=O)OC 1 3.495 2 3 -8.01905620977402 5310189 C1CC(=O)N(C1=O)CC(=O)NC2=NC3=C(C=C(C=C3S2)F)F 1 1.086 3 3 0 -8.47847735879421 5310188 CC1=CSC2=NC(=CN12)CNS(=O)(=O)N(C)C 1 -0.692 4 2 0 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2 2 -8.96508377358924 5310172 CCC1CCCCN1CC2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)C 1 3.565 5 2 0 -15.4235217411338 5310171 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC=C4F 1 3.096 4 1 -3.02215170374121 5310170 CC1=C(SC2=NC(=CN12)C3=CC=CC=C3)C(=O)NCC4CCCO4 1 2.389 3 2 -6.63790466760669 5310169 CCOC(=O)C(C)SC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=C(C=C3)OC 1 2.961 4 5 0 -10.660423196849 5310168 CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3C4=CC=CS4)C=C2 1 2.587 6 2 0 -22.1132642057645 5310167 C1=CC=C(C=C1)C2=CC(N3C(=N2)N=C(N3)CCCO)C4=CC=CS4 1 1.888 4 1 0 -3.16660272827655 5310165 CCOC(=O)C1CCCN(C1)C2=CC(=O)N(C(=O)N2)C3=CC=CC=C3Cl 1 2.994 3 4 0 -6.90230711427253 5310164 C1CN(CCN1C2=CC=CC=C2F)C3=CC(=O)N(C(=O)N3)C4=CC=C(C=C4)Br 1 4.102 4 2 1.83272684549373 5310161 COC1=C(C=CC(=C1)C2C3=C(C(=O)N2CC=C)OC4=CC=CC=C4C3=O)O 1 2.716 1 5 -8.97343134874198 5310159 CCN1CCN(C(=O)C1=O)CC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 1.272 3 3 0 -8.04916842893365 5310157 CCN1/C(=C\2/C=NC3=CC=CC=C32)/NN=C1SCCC(C)C 1 4.044 4 0 -11.3724513182624 5310155 CC1=CSC2=NC(=CN12)CNC(=O)C3=C(C=CC(=C3)Cl)OC 1 2.238 3 2 -5.63333474093598 5310151 CCCCSC1=NN/C(=C/2\C=NC3=CC=CC=C32)/N1C 1 3.444 4 0 -9.74697812755652 5310149 COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 2.833 2 5 0 -14.7299541598018 5310148 CC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)OC)C(=O)NCC4=CC5=C(C=C4)OCO5 1 3.365 3 4 0 -3.73358212492348 5310147 C1=CSC(=C1)C(=O)NCCC2=CN3C=CSC3=N2 1 1.509 3 1 0 -11.821006193648 5310146 CC1=C(SC2=NC(=CN12)C3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5 1 3.382 3 3 -3.79513233209454 5310145 CC(C)SC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CS3 1 3.117 4 2 -10.5134096216584 5310143 CN1C(=O)C=C(NC1=O)N2CCC3=CC=CC=C32 1 1.689 3 2 0 -6.48449142663048 5310142 CCCC1=NC2=C(C(=N1)SCC(=O)N3CCC4=CC=CC=C43)C(=O)N(C(=O)N2C)C 1 2.813 5 3 0 -23.2555214543541 5310140 CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)NC2=C(C=C(C=C2)Br)F 1 0.546 3 4 0 -6.08760230650748 5310139 CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)NC2=CC(=CC=C2)Cl 1 0.77 3 4 0 -5.82025703394717 5310135 C1CCC(C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4 1 1.769 5 2 0 -11.5788572267981 5310133 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NCC4=CC=CO4)C 1 2.104 5 3 0 -13.4280351252606 5310132 COC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)N4CCCC5=CC=CC=C54)N=N2 1 2.625 6 3 0 -13.8378101734298 5310131 CC1=NC(=CS1)CCNC(=O)COC2=CC=CC=C2 1 1.636 2 2 0 -10.5020339148924 5310130 COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)C3COC4=CC=CC=C4O3 1 2.98 2 5 0 -4.5411911440976 5310128 C1CC(OC1)CNC(=O)CSC2=NN3C(=NN=C3C4=CC=NC=C4)C=C2 1 1.127 6 2 0 -18.6420208884471 5310125 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCC3=CSC(=N3)C4=CN=CC=C4 1 1.803 3 4 0 -7.85746368111437 5310124 CCOC(=O)CSC1=NN2C(=NN=C2C3=CC=CS3)C=C1 1 2.868 4 2 -14.5495482048307 5310121 C1=CC(=CN=C1)C2=NC(=CS2)CNS(=O)(=O)C3=CC=CS3 1 1.556 3 2 0 -6.22969957332828 5310120 CC(C(C1=CC=CS1)N2CCN(CC2)C)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.421 3 2 -5.45454703438418 5310119 CCCC(=O)NCCCC1=NC2=CC=CC=C2N1C(C)C 1 3.29 3 1 -16.7392748461812 5310118 C1=CC(=CN=C1)C2=NC(=CS2)CCNC(=O)C3=CC=CO3 1 1.71 3 2 0 -6.68584319916185 5310117 COC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)OCC4=CC=CC=C4)N=N2 1 2.542 5 4 0 -7.78144882345078 5310116 CC1CCCN(C1)CC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C 1 2.659 5 3 0 -15.078478260061 5310115 CCOC(=O)C1CCN(CC1)C2=CC(=O)N(C(=O)N2)CC3=CC=C(C=C3)F 1 2.407 3 4 0 -4.29688952286851 5310114 CCC(C(=O)O)SC1=NN2C(=NN=C2C3=CN=CC=C3)C=C1 1 2.197 5 2 0 -11.0836456221707 5310112 C1=CC2=C(N=C1)SC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br 1 3.635 3 2 -0.357978927784162 5310111 C1=CC=NC(=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)NCC4=CC=CO4 1 1.962 6 2 0 -16.8741747874867 5310110 COC(=O)C1=CC=C(O1)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2 1 2.62 5 3 0 -10.0826732874886 5310109 C1=CC2=C(C=CS2)C=C1NC(=O)C3=CC=C(S3)Cl 1 3.888 1 1 1.85237576625982 5310108 CCN1/C(=C\2/C=NC3=CC=CC=C32)/NN=C1SCC4=CN=CC=C4 1 2.897 5 0 -12.2367035848774 5310107 COC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCOCC4 1 1.796 5 3 0 -12.8486281819934 5310106 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4 0 -15.8970225087827 5310058 C1=CSC(=C1)C(=O)NCC2=CN3C=CSC3=N2 1 1.261 3 1 0 -11.3503949344133 5310057 CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)NCC2=CC=CO2 1 -1.22 3 5 0 -11.3836505300221 5310056 COC1=CC(=C(C=C1)OC)N2/C(=C/3\C=NC4=CC=CC=C43)/NN=C2SC 1 3.659 4 2 -6.84608073260795 5310055 CC1=C(SC2=NC(=CN12)C3=CC=CC=C3)C(=O)NCC4=CC=CC=N4 1 2.678 4 1 -4.47304498532959 5310054 COCCN1/C(=C\2/C=NC3=CC=CC=C32)/NN=C1SC 1 1.984 4 1 0 -8.55682815005082 5310053 CC1=CSC2=NC(=CN12)CCNS(=O)(=O)C3=CC=CS3 1 1.328 3 2 0 -6.63213368126557 5310051 CCCC1=NC2=C(C(=N1)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N(C(=O)N2C)C 1 2.308 5 5 0 -24.62607609141 5310050 CC(C)(C)CC1=NC2=C(C(=N1)SCC(=O)N3CCCC4=CC=CC=C43)C(=O)N(C(=O)N2C)C 1 3.727 5 3 0 -22.2638925862857 5310049 CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 -0.989 4 6 0 -21.3714106385779 5310048 C1CCC(C(C1)C(=O)NCC2=CN3C=CC=CC3=N2)C(=O)O 1 1.224 3 3 0 -12.2455791015509 5310045 CC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)F)C(=O)NC4=CC=NC=C4 1 2.662 4 1 1.67811243020945 5310044 CCOCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCOCC3 1 -0.134 5 4 0 -12.5453348674295 5310043 CC1CN(CC(O1)C)C2=CC(=O)N(C(=O)N2)C3=CC(=CC=C3)Br 1 2.71 3 3 -4.35820863050637 5310041 CN1/C(=C\2/C=NC3=CC=CC=C32)/NN=C1SCC(=O)N4CCN(CC4)C5=CC=CC=C5 1 3.01 6 1 0 -12.5363653632217 5310040 CNC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=NC4=CC=CC=C4S3 1 3.026 3 2 -14.4907960980497 5310038 C1CC(OC1)CNC(=O)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2 1 1.127 6 2 0 -20.104478913361 5310037 C1=CC=C(C=C1)C2=NC(=CS2)CNS(=O)(=O)C3=CC=C(S3)Cl 1 3.165 2 2 1.65928442915635 5310035 C1=CC2=NC(=CN2C=C1)CNC(=O)C3=CC=C(O3)Br 1 1.54 3 2 0 -12.6636087265235 5310032 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN4C(=NN=C4C5=CC=CC=N5)C=C3 1 2.559 6 3 0 -15.1501009799001 5310031 CC(C)C1=NC2=C(C(=N1)SCC3=CC=CC=N3)C(=O)N(C(=O)N2C)C 1 2.55 5 2 0 -12.7065331867631 5310030 CCN1C(=O)C=C(NC1=O)N2CCC3(CC2)OCCO3 1 0.356 3 4 0 -7.2832607108117 5310029 C1CCC(CC1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N 1 2.954 5 2 0 -4.70455989384999 5310028 CCC1=NC2=C(C(=N1)SCC(=O)NCC3=CC=CO3)C(=O)N(C(=O)N2C)C 1 1.265 5 4 0 -23.939816359946 5310027 CC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)NCC4=CC=CO4)N=N2 1 1.579 6 3 0 -16.7966231647366 5310026 CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)NC2=CC(=CC=C2)OC 1 -0.425 3 5 0 -7.47916737350457 5310025 CC1=CSC2=NC(=CN12)CCNC(=O)CCC3=CC=C(C=C3)OC 1 2.313 3 2 -12.1253378166101 5310023 CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 -0.109 3 6 0 -12.9709970094829 5310022 CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)NC2=CC(=C(C=C2)OC)OC 1 7.3e-002 3 6 0 -13.8992450396855 5310021 CC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SC(C(=O)C)C(=O)C 1 2.858 4 2 -4.96449368450259 5310020 CC1=CC=CC=C1N2C(=O)C=C(NC2=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.281 4 4 0 -5.9992333324243 5310019 CNC(=O)C1=C(SC=C1)NC(=O)C2=CC=C(S2)Cl 1 2.021 2 2 -5.26406109673226 5310018 C1CC(OC1)CNC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=CC=C4 1 0.693 6 3 0 -24.7082788460218 5310017 COC(=O)C1=C(SC=C1)NC(=O)C2COC3=CC=CC=C3O2 1 2.029 1 5 -7.74316313018007 5310016 C/C=C/CSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C 1 3.866 4 2 -10.3280787777429 5310015 C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)N=NN4C5=CC=CC=C5 1 3.191 6 2 0 -8.79857892334529 5310014 CC1=C(SC2=NC(=CN12)C3=CC=CC=C3)C(=O)NCC4=CC=CO4 1 2.796 3 2 -4.35075929593675 5310012 C1=CC(=CN=C1)C2=NC(=CS2)CCNC(=O)C3=CC=CS3 1 2.268 3 1 -8.12228019916147 5310011 CN1C2=C(C(=NC(=N2)C3CC3)SCC4=CC=CC=N4)C(=O)N(C1=O)C 1 2.179 5 2 0 -12.3904648911151 5310010 C1CCC(CC1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)Cl 1 2.889 5 2 0 -9.44483453979172 5310009 CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)C3=CC=CC=C3OC 1 3.302 3 2 -8.23591209003327 5310007 CCN1CCN(C(=O)C1=O)CC(=O)NC2CCCCC2 1 0.225 3 3 0 -12.5645733770376 5310006 C1=CC=C(C=C1)CCC(=O)NC2=C(OC3=CC=CC=C32)C(=O)N 1 2.702 2 3 -1.87992565746444 5310005 CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2 1 1.483 7 2 0 -20.8300074500584 5310004 CCS(=O)(=O)NCC1=CSC(=N1)C2=CC=CC=C2 1 1.692 2 2 0 -3.65469876999271 5310001 CC(=O)C(C(=O)C)SC1=NN2C(=NN=C2C3=CC=NC=C3)C=C1 1 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CCN1CCN(CC1)C(=O)CN2C3=C(COC4=CC=CC=C43)C=N2 1 1.598 4 2 0 -6.5456860772614 5309008 COC1=CC(=C(C=C1)OC)NC2C3=CC=CC=C3C(=O)N2C4=CN=CC=C4 1 3.047 3 3 -7.90847168936663 5309007 C1CCC(C1)NC(=O)CC2C(=O)NC3=CC=CC=C3O2 1 1.465 2 3 0 -15.8729442640681 5309006 CCCN1CCN(CC1)CCCNC(=O)C2=CC3=C(N2C)C4=CC=CC=C4N(C3=O)C 1 2.63 5 2 0 -5.48490725544048 5309005 CC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)C(=O)OC)C(=O)C 1 0.376 4 3 0 -15.1057281361961 5309003 C1CC(CN(C1)S(=O)(=O)C2=CN=CN2)C(=O)NCC3=CC=CC=C3Cl 1 1.021 4 3 0 -13.0672402810414 5309002 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NC(C)C 1 2.695 1 3 -11.951670225753 5309001 CN1C=CC=C1CC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)N4CCOCC4 1 2.547 5 3 0 -20.3818834146958 5309000 CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCC4 1 3.665 5 1 -22.8474319465827 5308999 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NCCN(C)CC4=CC=CC=C4 1 3.321 4 2 -1.90787430927765 5308998 C1CN(CCN1C2=CC=CC=C2F)C3=NC4=C(C(=O)S3)SC=C4 1 4.024 3 1 -6.07572775422935 5308997 C1COCCN1CC(=O)C2=CC3=C(C=C2)C=CN3 1 1.557 2 2 0 -5.86472526677488 5308995 CC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)N)C4=CC(=CC=C4)OC 1 2.395 5 1 2.61978653028663 5308994 CC1=NC2=NC(=NN2C(=C1)NC3=CC4=C(C=C3)OCCO4)C 1 2.353 5 2 0 -9.55449891133187 5308993 CC1=NN2C(=N1)C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(C=CC(=C4)Cl)OC 1 2.693 5 3 0 -3.67110844130518 5308992 CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC=CN4C 1 4.25 5 1 -20.3778533342152 5308991 CCC1=NN=C(S1)NC(=O)C2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)OCC 1 2.988 5 2 0 -5.20291361757054 5308990 CC1=CC(=NC2=C1C(=O)N(S2)CC(=O)NCCCN3CCN(CC3)C4=CC=CC=C4F)C 1 2.834 5 2 0 -6.97813201077499 5308989 CC1CCC2=NN(C=C2C1)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.663 3 3 -16.734652946436 5308988 CC1CCC(CC1)NC(=O)CC2C(=O)NC3=CC=CC=C3O2 1 2.173 2 3 -18.4711219243486 5308987 C1COCCN1C(=O)CC2C(=O)NC3=CC=CC=C3O2 1 -4.4e-002 2 4 0 -16.4005615506231 5308983 C1CC(CN(C1)S(=O)(=O)C2=CN=CN2)C(=O)NCCN3CCN(CC3)C4=CC=CC=C4F 1 0.747 6 3 0 -8.56086349690327 5308982 CC1(CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NCCOC)C 1 0.127 2 5 0 -16.2179408559224 5308979 C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5 1 1.871 6 2 0 -12.1350420892856 5308978 CC1=CC=C(C=C1)C2CC(N3C(=N2)N=CN3)C4=CC(=CC=C4)C 1 3.028 4 0 3.68031294211475 5308949 C1CN(C2=CC=CC=C21)C(=O)C(CC3=CC=CC=C3)N4C=CC=C4 1 4.086 2 1 -11.4630379001869 5308920 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCCC(C)C 1 2.135 2 3 -12.6380789930967 5308921 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=CC=N3 1 8.3e-002 4 4 0 -3.02514979241275 5308923 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCCC3 1 2.773 1 4 -10.7773542505522 5308924 CCC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.914 1 6 0 -14.7457152982755 5308926 CC(C)CC1=CC(=NO1)C(=O)NCC2=CC=CO2 1 2.206 2 3 -10.4961218079756 5308927 CC1=CC=C(O1)C2C(=C(N=C3N2NC(=N3)C4=CC=CC=C4)C)C(=O)OC 1 2.469 4 3 0 -15.8938980953853 5308928 CN(C)C1=CC=C(C=C1)C2N3CCCC3C(=O)N2C4=CC(=CC=C4)OC 1 3.506 3 2 -4.96857025808297 5308929 CN1C(=NN=C1SCC(=O)NC2CCCC2)CN3C4=CC=CC=C4SC3=O 1 2.996 5 2 0 -15.7752783441464 5308930 C1CN(CCC1C(=O)NC2=NC=CS2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4 1 0.646 4 4 0 -20.1012703697509 5308931 COC1=CC(=C(C=C1)OC)CNC(=O)CCC2=NC(=NO2)C3=CC=CS3 1 2.408 3 4 0 -17.4071336139938 5308932 CCCCNC(=O)C1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3C(=O)N2CC 1 2.978 2 4 -11.5583281221812 5308934 CC1=CC=C(O1)C2=C(N3C=CN=CC3=N2)NC4=CC=CC=C4 1 2.996 4 1 3.65741901337722 5308935 CCSC1=NN=C(N1C2=CC=C(C=C2)OC)CN3C4=CC=CC=C4SC3=O 1 4.443 4 2 -6.42167075363887 5308936 C1CC(OC1)CNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br 1 2.727 1 5 -16.7347698249614 5308938 CCC1=CC=C(C=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=CC=C4 1 4.787 3 1 -9.98693208760758 5308939 COCCNC(=O)CN1CCN(C1=O)CC2=CC(=CC=C2)Cl 1 0.776 3 3 0 -15.3491392555922 5308940 CC(C)C1=CC(=NO1)C(=O)NC2=C(C=C(C=C2)OC)OC 1 2.739 2 4 -14.8137132204122 5308942 COC1=C(C=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4)Cl 1 2.273 3 5 0 -19.3146801852901 5308948 CCN1C(=C(C=N1)C2=NOC(C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C 1 0.619 6 3 0 -19.6862290728423 5308947 CC1CC(CN(C1)C(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N(C)C)C)C 1 1.613 3 4 0 -18.0380316469309 5308946 CCOC(=O)N1CCC(CC1)NC(=O)CN2C(=O)CSC3=C2C(=CC(=N3)C)C 1 0.963 4 4 0 -16.4817345518843 5308944 CC1=CC=C(C=C1)C2N3CCCC3C(=O)N2C4=CC=C(C=C4)F 1 4.052 2 1 -1.61063935445795 5307122 CC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CN3 1 1.164 4 3 0 -11.9608541262567 5307121 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NC4CCCCCC4 1 3.913 3 2 -5.89113039597466 5307120 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)OC1=O 1 2.77 2 4 -13.2777465261502 5307117 CC(C1=CC=CC=C1)NC(=O)C2=NOC3=C2CCCCC3 1 3.721 2 2 -15.1218185434131 5307115 CCOC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)O 1 1.658 2 4 0 -4.40124233645009 5307113 CC1=CC=CC(=C1)C2=NC3=NC(=C(C(N3N2)C4=CC=CC=C4)C(=O)N)C 1 2.668 5 1 -6.91193786664541 5307112 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C 1 3.22 3 4 0 -24.2024923866247 5307111 CC1CCN(CC1)C(=O)CN2C=C3CCCCC3=N2 1 2.434 3 1 -12.800668763435 5307110 C1CC(CN(C1)S(=O)(=O)C2=CN=CC=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 0.221 4 5 0 -24.2590812757668 5307109 CCOC1=CC=CC=C1C2C(=C(N=C3N2NC(=N3)CCCO)C)C(=O)N 1 0.748 5 3 0 -13.28879528063 5307107 CC1=CC=C(C=C1)NC2=CC(=NC3=NC(=NN23)C)C 1 3.054 5 0 -5.59382813414632 5307106 COC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCCC4 1 2.045 3 4 0 -10.4402762378605 5307105 CN1CCN(CC1)CCNC(=O)C2=CC3=C(N2C)C4=CC=CC=C4N(C3=O)C 1 1.695 5 2 0 -3.55300005745034 5307103 CC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(N(N=C3C)C)C 1 2.096 4 3 0 -16.6613007250708 5307102 CC1=C(C=CC(=C1)NC2=CC(=NC3=NC(=NN23)C)C)Br 1 3.802 5 0 -5.19280684219064 5307101 C1CCC2=NC3=C(C=C(C=C3)NC(=O)C4=CC=CC=N4)C(=O)N2CC1 1 2.265 4 2 -14.7919240073914 5307100 CCCCNC(=O)CS(=O)CC1=C(OC(=N1)C2=CC(=CC=C2)C)C 1 2.324 2 3 7.3586967335046 5307098 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(N2C)C4=CC=CC=C4N(C3=O)C 1 1.961 4 4 0 -7.55886629625242 5307097 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NC4CCCCC4 1 3.457 3 2 -5.89113039597466 5307094 CCOC(=O)N1CCN(CC1)C(=O)CS(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C)C 1 1.41 3 5 0 8.77194979432539 5307093 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)(=O)CC(=O)NCCOC 1 0.961 2 5 0 -1.3088459559503 5307092 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)(=O)CC(=O)NCCC(C)C 1 2.169 2 5 0 -0.632025057115412 5307091 CC1CCN(CC1)CCCNC(=O)C2=CC3=C(N2C)C4=CC=CC=C4N(C3=O)C 1 2.969 4 2 -8.06658398386473 5307056 COC1=CC=C(C=C1)OCC2=NNN=N2 1 1.118 4 2 0 -4.44790664818831 5306837 CC1=CSC(=N1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl 1 1.406 3 3 0 -5.38866760557728 5306761 C1C(CC(=O)C2=C1N(N=C2)C3=NC4=CC=CC=C4S3)C5=CC=CO5 1 3.541 3 2 -6.34142961172525 5306755 CCCC1=C(C(N2C(=N1)N=CN2)C3=CC=CS3)C(=O)OCC 1 1.821 4 2 0 -13.2491395493125 5306702 CN1C2=C(C=C(C=C2)OC)N=C1CN3CCN(CC3)CCO 1 1.219 4 2 0 6.11896638186417 5306222 CC1=CC2=C(C=C1S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)OCC(=O)N2 1 2.058 3 4 0 -8.1560919591567 5306162 COC1=CC=CC=C1OCC2=NNN=N2 1 1.118 4 2 0 -7.80842278660758 5305935 COC1=CC(=CC(=C1OC)OC)C2=NC3=C4C=CC=CC4=NC(=S)N3N2 1 3.201 4 3 0 -6.77661236260864 5305628 C1=CSC(=C1)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 3.061 1 2 -6.36822275426768 5305517 C1COCCN1C(=O)COC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F 1 2.494 2 4 -8.66701700153915 5305509 CN1CC(CC1=O)C(=O)NC2=CC(=C(C=C2)F)Cl 1 1.179 2 2 0 -1.06069873724463 5305431 CCOC(=O)NC1=CC=C(C=C1)C(=O)C2=CC=NC=C2 1 2.196 2 3 -5.17458624102837 5305419 CN1C=C(C2=CC=CC=C21)C(=O)C(=O)N3CCCC3 1 2.09 2 2 -7.57356179955444 5305418 CC1=C(C(=CC=C1)C)NC(=O)C(=O)C2=CN(C3=CC=CC=C32)C 1 3.972 2 2 -5.47299362023029 5305368 C1COCCN1C2=CC=C(C=C2)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)O 1 3.91 2 3 -0.179374507979923 5305061 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)NCC3=CC=NC=C3 1 1.795 3 2 0 -2.44445129966257 5304919 COC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3CC4CC3C=C4 1 2 5 2 0 -18.9871571165647 5304917 C1C2CC(C1C=C2)N3C(=NN=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)O 1 1.647 5 3 0 -20.5395186241607 5304737 CC1=NN=C2N1C3=CC=CC=C3N=C2N4CCNCC4 1 0.698 6 0 0 -5.24725796862956 5304594 CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)OC)OC)C3=NC=CN=C3 1 1.139 6 3 0 -16.1780554640344 5304380 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC(=C2)C3=CN4C=CC=NC4=N3 1 2.868 4 4 0 -5.34663107204355 5304336 C1COC2=C(O1)C=CC(=C2)NC(=O)C(=O)C3=CNC4=CC=CC=C43 1 2.579 2 4 -5.34032162278064 5304328 C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NCC3=CC=C(C=C3)Cl 1 3.465 2 2 -2.7610671807948 5304001 COC(=O)CC1=CC(=O)N2C3=CC=CC=C3N=C2N1 1 1.168 3 3 0 -10.7902367722625 5303784 CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=CN=CC=C2 1 1.588 3 3 0 3.45673362458467 5303777 CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=CC=CC=N2 1 2.016 3 3 3.76003390185849 5303481 CC1=CC(=NN1CCCC(=O)OC)NC(=O)C2=CC=CO2 1 1.62 3 4 0 -17.3134102414805 5303480 CC1=CC(=NN1CCCC(=O)OC)NC(=O)COC2=CC=C(C=C2)F 1 2.266 3 4 0 -18.0423699156705 5303478 CCOC(=O)CN1C=CC(=N1)NC(=O)C2=CC3=C(C=C2)OCO3 1 1.627 3 5 0 -14.7229172844414 5303476 CCOC(=O)CN1C=CC(=N1)NC(=O)COC2=C(C=C(C=C2)F)F 1 2.105 3 4 0 -12.8606342028486 5303475 CCOC(=O)CN1C=CC(=N1)NC(=O)COC2=CC=C(C=C2)F 1 1.9 3 4 0 -12.2487859018797 5303395 CCOC(=O)CN1C=CC(=N1)NC(=O)C2=CC=C(C=C2)F 1 2.065 3 3 -11.7138016004112 5303375 CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)N4C=C(C=N4)[N+](=O)[O-] 1 1.433 5 5 0 -6.043928765402 5303360 CC(CC1=CC(=C(C=C1)OC)OC)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C 1 2.182 2 6 0 -21.1147526671698 5303332 C1COCCN1CC(C2=CC=CC=C2)(C3=CC=CC=N3)O 1 1.798 2 2 0 -2.06988195359213 5303299 CCOC(=O)C1=C(N=C2N1CCC2)NC(=O)N 1 0.384 4 3 0 -5.39709344568302 5303285 CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N4C=C(C=CC4=NC3=O)Cl 1 2.059 3 3 -18.5656948671456 5303284 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N4C=C(C=CC4=NC3=O)Cl 1 1.74 3 3 0 -18.2299643043353 5303283 CC1=CC2=NC(=O)C3=C(N2C=C1)C=CC(=C3)S(=O)(=O)N4CCCCC4 1 1.818 3 3 0 -17.2094858267428 5303281 CC1=NN(C(C1)(C)C)CC2=C(N(N=C2C)CC3=CC=CC=C3)C 1 2.632 4 0 -5.16692495629013 5303269 CC1=NN(C=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC)C 1 1.119 4 4 0 -8.56536244134565 5303245 CC1=CC=CC=C1OCC(=O)NC2=CN(N=C2)CCCC(=O)O 1 1.637 3 4 0 -13.7063470732614 5303244 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CN(N=C2)CCCC(=O)O 1 2.785 3 4 0 -14.5958390233209 5303157 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C3C(=CN=N2)C=CC(=C3OC)OC 1 2.544 3 4 0 -13.1420384371569 5303156 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=C3C(=CN=N2)C=CC(=C3OC)OC 1 2.772 3 5 0 -11.3247068696078 5303151 COC1=C(C2=C(N=NC=C2C=C1)SCC(=O)NC3=CC=C(C=C3)C(=O)O)OC 1 2.434 3 5 0 -11.3926836231003 5303071 CCOC(=O)C1=CC(=C(C=C1)NCCC2=CC(=C(C=C2)OC)OC)N 1 2.968 2 4 -10.7339043818645 5303059 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CN=CC=C3 1 2.13 2 2 -1.01451102271252 5303058 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC=CC=N3 1 2.669 2 2 2.94336689516399e-002 5303052 CCSCC1=NC(=NC(=N1)NCCC2=CC=CC=C2)N 1 2.267 5 0 -4.176893305506 5303039 C1CCN(C1)C(=O)C2=CC3=CC=CC=C3C=C2O 1 2.371 1 2 -1.04493730092112 5302933 CCOC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=N3 1 3.243 2 2 -3.87058645186239 5302918 CC(=O)N1C(OC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])(C)C3=CC=CS3 1 2.709 3 4 0 -11.7519781077499 5302863 CCOC1=C(C=CC=N1)C2=NC(=NO2)C3=CC=CS3 1 2.819 3 2 -3.79709411972246 5302862 CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3NC2(C4=CC=CC=C4)C(=O)O)Cl 1 5.055 2 3 -4.52818635780688 5302731 COC1=C(C=C2CN(C(CC2=C1)C(=O)O)CC(=O)NC3=CC=C(C=C3)F)OC 1 -0.631 2 5 0 -11.031427973774 5302730 CCCC1=C(C(N2C(=N1)N=CN2)C3=CC=NC=C3)C(=O)OCC 1 0.824 5 2 0 -10.2187175344342 5302706 CC1=CC=C(C=C1)C(=O)C2=C(N=C3N=NNN3C2C4=CC=CC=C4)C(=O)OC 1 3.775 5 3 0 -11.8933680138964 5302700 COC(=O)C1=C(C(N2C(=N1)N=NN2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4 1 3.288 5 3 0 -12.982047043454 5302648 CC1=C(C(=NC(=C1[N+](=O)[O-])C)Cl)C(=O)NCCC2=CC=CC=C2 1 3.329 3 3 -5.27751139881437 5302443 CC1=C(C(=NN1CC(=O)N2CCC3=CC=CC=C3C2)C)Cl 1 2.496 3 1 -12.302409668069 5302421 CSC1=NSC(=N1)NC(=O)OCC2=CC=C(C=C2)Cl 1 3.774 3 2 1.26565335992343 5302342 COC1=C(C=C2CNC(CC2=C1)C(=O)NCC3=CC=CC=C3)OC 1 2.188 2 3 -10.9229451691189 5302246 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3C=CN=C3)OC 1 2.258 3 3 -9.7485604312732 5302242 CN1CCC(CC1)(CNC(=O)NC2=CC=CC=C2)C3=CC=CC=C3 1 2.941 3 1 -10.6695244570011 5302228 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC3=C(C=C2)N4C=C(C=CC4=NC3=O)Cl 1 2.383 3 4 0 -13.163985433049 5302227 CC1=CC2=NC(=O)C3=C(N2C=C1)C=CC(=C3)S(=O)(=O)N(C)C4=CC=CC=C4 1 2.477 3 3 -12.2327408346601 5302224 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N4C=CC(=CC4=NC3=O)C 1 2.069 3 3 -19.9309740801079 5302222 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC3=C(C=C2)N4C=CC=CC4=NC3=O 1 2.014 3 4 0 -14.7837025087811 5302218 CC1CCCCN1S(=O)(=O)C2=C(C=C3C(=C2)C(=O)N=C4N3C=CC=C4)Cl 1 2.413 3 3 -12.9354012949714 5302181 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N4C=C(C=CC4=NC3=O)Cl 1 0.51 3 4 0 -20.1881470257851 5302180 CC1=CC2=NC(=O)C3=C(N2C=C1)C=CC(=C3)S(=O)(=O)N4CCOCC4 1 0.588 3 4 0 -19.1676685481926 5302178 CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N4C=CC=CC4=NC3=O 1 1.691 3 3 0 -20.1854119428777 5302177 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N4C=CC=CC4=NC3=O 1 1.371 3 3 0 -19.8496813800674 5302176 CC1CCCN(C1)S(=O)(=O)C2=C(C=C3C(=C2)C(=O)N=C4N3C=CC=C4)Cl 1 2.355 3 3 -14.8811582405156 5302175 CC1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)C(=O)N=C4N3C=CC=C4)Cl 1 2.288 3 3 -17.2669159310704 5301935 CCOC(=O)C1C(N2C3=CC=CC=C3NC2=NC1=O)C(C)C 1 2.278 3 3 -13.1544840025993 5301745 COC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.043 5 5 0 -20.9090021654766 5301742 COC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)CN3C=CN=C3)OC 1 2.258 3 3 -7.56055053478231 5301732 CC1=CC(=CC(=C1S(=O)(=O)N(C)C2=CC=CC=C2)C)N3C=NN=N3 1 2.382 5 2 0 -16.1941866458172 5301729 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOC4=CC=CC=C43)N(C(=O)C1=O)C 1 0.958 3 5 0 -12.1236644637315 5301701 COC1=C(C=CC(=C1)C(F)(F)F)C(=O)NCCC2=CC=CO2 1 2.977 1 3 -5.30391851484047 5301693 CC1=C(C(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3)C)NS(=O)(=O)C 1 2.076 3 5 0 -8.81933684097973 5301692 CC1=C(C(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OCC(=O)N3CCOCC3)C)NS(=O)(=O)C 1 1.138 3 7 0 -12.169384216609 5301691 CC1CCCCN1C(=O)C2=CC=CC=C2NS(=O)(=O)C3=C(C(=C(C=C3)C)NS(=O)(=O)C)C 1 2.909 3 5 0 -14.0678807213105 5301690 CC1=C(C(=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCOCC3)C)NS(=O)(=O)C 1 1.302 3 6 0 -10.4618404705524 5301688 CC1=C(C(=C(C=C1)S(=O)(=O)N2CCOC3=CC=CC=C32)C)NS(=O)(=O)C 1 2.209 2 5 0 -10.0430990886072 5301687 CC1=C(C(=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32)C)NS(=O)(=O)C 1 1.213 3 5 0 -15.5503576608948 5301685 COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=CO2)OC 1 1.721 1 5 0 -10.5311843075445 5301682 COC1=CC(=C(C=C1OC)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32)F 1 1.502 2 5 0 -15.7350469798696 5301680 COC1=CC(=C(C=C1OC)S(=O)(=O)N2CCOC3=CC=CC=C32)F 1 2.498 1 5 -10.2277884075819 5301628 CC1=CC(=C(C=C1OC)S(=O)(=O)NC2=CC=CC3=C2NN=C3)OC 1 2.414 3 4 0 -1.1245891690448 5301615 C1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3 1 -0.873 4 7 0 -22.3828437930653 5301614 CN(C)S(=O)(=O)N1CCN(CC1)CC(COC2=CC3=C(CCC3)C=C2)O 1 1.097 3 4 0 -21.6388872166673 5301599 C1C(N2C(=NC1=O)N=CN2)C(=O)NC3=CC(=CC=C3)F 1 -0.354 5 2 0 -5.58184463887109 5301555 CN1C2=C(C(=CC(=N2)C(=O)OC)C3=CC(=C(C=C3)OC)OC)C(=O)NC1=O 1 1.928 3 6 0 -7.18489696103503 5301543 CCCC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)F)C(=O)OCC 1 2.18 4 2 -9.93033893914358 5301279 COC1=C(C=C(C=C1)NC2=NN=C(S2)C3=CC=NC=C3)Cl 1 2.639 4 1 4.09269095576801e-002 5301257 CC1=C(C=NN1C)C(=O)NC2=CC3=C(C=C2)OCCO3 1 1.195 3 3 0 -8.84569249165226 5301231 C1CCC(C1)OC2=CC=C(C=C2)C(CC(=O)O)N3C(=O)C4=CC=CC=C4C3=O 1 3.589 1 5 -12.1453455585612 5301172 CC1=C(C(=NN1CC(=O)NC2=CC3=C(C=C2)OCO3)C)Cl 1 1.976 3 3 0 -10.8155126279367 5301129 CC1=CC(=NO1)NC(=O)CSC2=NC(=C(N2)C)CC3=CC=C(C=C3)O 1 2.461 4 3 0 -13.2089835791427 5301125 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NCCC3=CC=NC=C3 1 3.667 3 2 -14.6510663206657 5301124 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCCC3=CC=NC=C3 1 3.208 3 2 -13.8645808108954 5300967 CC1=CC2=C(C=C1S(=O)(=O)N(C)C3=CC=CC=C3)N(C(=O)N2C)C 1 2.284 3 3 -11.8358978106823 5300922 CS(=O)(=O)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.453 5 5 0 -12.838168454171 5300894 COCC1=C(C(N2C(=N1)N=CN2)C3=CC=CO3)C(=O)OC 1 -0.545 4 4 0 -14.2152395691942 5300832 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC3=CC=CO3 1 1.532 3 3 0 -16.5624574270005 5300805 CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C 1 1.469 4 2 0 -12.948388002877 5300804 CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C 1 1.247 4 3 0 -14.0732312374864 5300745 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 0.815 2 6 0 -8.74920379835078 5300696 COC1=C(C=C(C=C1)CC(=O)NCC2=CC=C(C=C2)N3C=CC=C3)OC 1 3.499 2 3 -13.3020628759148 5300682 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 2.64 4 2 -11.8182449588165 5300657 CCOC(=O)C1=C(N=C2C=CC3=C(C2=C1)C(=C(N3)C)C)C 1 3.428 2 2 -0.897724435797702 5300656 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.607 3 4 0 -9.53044252843788 5300647 C1=CC=C(C=C1)CCNC(=O)C2=NC3=CC=CC=C3N=C2 1 2.835 3 1 -9.07050853036903 5300486 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=NOC(=C3)C 1 2.363 4 3 0 -21.0220638405006 5300485 CC1=CC(=NO1)C2=NN=C(O2)SCC(=O)NC3=CC(=CC(=C3)OC)OC 1 1.844 4 5 0 -24.3355584729945 5300482 CSC1=NSC(=N1)SCC(=O)NC2=C(C=C(C=C2)F)F 1 3.351 3 1 -9.78915431706196 5300283 CCC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2CC)C(=O)N(C(=O)N3C)C 1 2.757 4 4 0 -14.9907970399083 5300282 CCN1C2=C(N=C1OC3=CC=CC=C3F)N(C(=O)N(C2=O)C)C 1 2.556 4 3 0 -9.36713660901375 5300278 CN1C2=C(N=C1OC3=CC=CC(=C3)N(C)C)N(C(=O)N(C2=O)C)C 1 2.164 5 3 0 -9.98828993675377 5300138 C=CCN1C=NN=C1SCC(=O)NC2=CC3=C(C=C2C#N)OCO3 1 1.383 5 3 0 -19.7022428252812 5300135 C1OC2=C(O1)C=C(C(=C2)C#N)NC(=O)CCN3C=NN=N3 1 -0.329 6 3 0 -24.3899546947282 5300120 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3F)CC=C 1 2.824 4 3 0 -12.6231927310773 5300097 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC(=CC=C2)OCC(=O)N3CCOCC3 1 2.548 2 7 0 -18.623597667888 5300066 CC1=CC(=CC(=C1)OCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F)C 1 2.652 2 5 0 -21.5716186704017 5300065 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NCCOC3=CC=CC=C3 1 1.68 2 5 0 -21.672041429045 5300057 C1=CC=C2C(=C1)NC(=S)C3=NNC(=S)N23 1 2.486 4 0 -7.09364935405195 5300042 C1CCN(CC1)C(=O)CS(=O)(=O)C2=CC=CC=C2C(=O)O 1 1.168 1 5 0 -12.4768236028255 5300006 CCCC1=C(C(N2C(=N1)N=C(N2)C)C3=CN=CC=C3)C(=O)OCC 1 0.903 5 2 0 -10.3503495339684 5300001 C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC(=O)O)C4=CC=C(C=C4)F 1 3.476 1 3 -7.27605740164615 5299992 CCN1C=C(C(=N1)C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 1.711 4 5 0 -13.3318812220082 5299942 CN1C2=C(N=C1OC3=CC=CC(=C3)O)N(C(=O)N(C2=O)C)C 1 1.759 4 4 0 -5.12944528242028 5299834 CCN1C=NN=C1SCC(=O)NC2=CC3=C(C=C2C#N)OCO3 1 1.115 5 3 0 -17.2135027568696 5299798 C1CN(C(=O)N1)C(=O)COC2=CC=C(C=C2)Br 1 1.426 2 3 0 -11.42999364989 5299778 CC1CCC(CC1)NC(=O)C2=NC(=NO2)CN3C=CC(=N3)[N+](=O)[O-] 1 1.88 6 4 0 -14.9385668664298 5299771 C1=CN(N=C1[N+](=O)[O-])CC2=NOC(=N2)C(=O)NCCCN3C=CN=C3 1 -0.426 8 4 0 -11.404934936236 5299738 CC(C)N1C=C(C=N1)NC(=O)COC2=CC=CC=C2Cl 1 2.49 3 2 -5.71853224517879 5299708 CC(C1=CC=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 2.531 2 5 0 -14.8463444752288 5299707 CC(C1=CC=CC=C1)NC(=O)C2CC(=O)NC3=CC(=C(C=C23)OC)OC 1 1.966 2 4 0 -14.8492933835241 5299706 COC1=C(C=C2C(=C1)C(CC(=O)N2)C(=O)NC3=CC(=C(C=C3)F)Cl)OC 1 2.452 2 4 -8.55999886827593 5299705 CC1=CC(=CC(=C1OC)C)NC(=O)C2CC(=O)NC3=CC(=C(C=C23)OC)OC 1 2.538 2 5 0 -11.6016938675495 5299704 COC1=CC=C(C=C1)CCC(=O)NC2=CC3=CC=CC=C3N=C2 1 3.275 2 2 -3.81339863788272 5299703 COC1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)C(=O)C3=CC=NC=C3 1 3.342 2 3 -8.96615788426697 5299702 COC1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)CN3C=CN=C3 1 2.765 3 2 -7.99838110444493 5299607 CC1=CC(=O)N(C2=C1C=C(C=C2)S(=O)(=O)NC3=C(C(=CC=C3)F)C)C 1 3.084 2 3 -5.0983173647552 5299606 CC1=CC(=O)N(C2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 0.709 2 4 0 -17.3627673466389 5299595 CC(=O)NC1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC 1 2.624 2 5 0 -8.66285158658542 5299513 C1CN2C(CN1C(=O)C3=CC=CC=C3)C4(CC5=C2C=CC(=C5)[N+](=O)[O-])C(=O)NC(=O)NC4=O 1 1.554 5 6 0 -14.1521192174706 5299487 CC1=CC(=NN1CC2=NOC(=N2)C(=O)NCCC3=CC=CC=N3)[N+](=O)[O-] 1 0.811 7 4 0 -16.1906902598982 5299485 CC1=CC(=NN1CC2=NOC(=N2)C(=O)NCCCN3C=CN=C3)[N+](=O)[O-] 1 -0.281 8 4 0 -13.0833038896879 5299482 CC1=CC(=NN1CC2=NOC(=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] 1 1.267 6 6 0 -16.2639565144757 5299475 C1=CC=NC(=C1)CCNC(=O)C2=NC(=NO2)CN3C=C(C=N3)Br 1 0.981 6 2 0 -9.98860382227113 5299473 C1=CN(C=N1)CCCNC(=O)C2=NC(=NO2)CN3C=C(C=N3)Br 1 -0.111 7 2 0 -6.8812174520608 5299470 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC(=NO3)CN4C=C(C=N4)Br 1 1.436 5 4 0 -9.92203217262699 5299454 C1=CC=NC(=C1)CCNC(=O)C2=NC(=NO2)CN3C=C(C=N3)[N+](=O)[O-] 1 0.127 7 4 0 -14.8890518153872 5299453 C1=CC=NC(=C1)CCNC(=O)C2=NC(=NO2)CN3C=CC(=N3)[N+](=O)[O-] 1 0.666 7 4 0 -14.6554231197936 5299452 CC1=C(C(=NN1CC2=NOC(=N2)C(=O)NCCC3=CC=CC=N3)C)Br 1 1.409 6 2 0 -11.9411194482971 5299313 CN1C2=C(C(CC(=O)N2)C3=CC=C(C=C3)C(F)(F)F)C(=O)N(C1=O)C 1 1.713 3 3 0 -9.28660961045813 5299229 C1=CC(=C(C=C1NC(=O)C2=CN=CS2)Cl)F 1 2.231 2 1 -6.7215394726249 5299228 C1=CC(=CC=C1NC(=O)C2=CN=CS2)Cl 1 2.025 2 1 -6.7980036734884 5299226 COC1=CC=CC(=C1)NC(=O)C2=CN=CS2 1 1.345 2 2 0 -8.67626317853169 5299224 C1=CC(=CC=C1NC(=O)C2=CN=CS2)F 1 1.567 2 1 0 -7.90812533860997 5299222 C1=CC(=CC(=C1)NC(=O)C2=CN=CS2)C(F)(F)F 1 2.303 2 1 -4.25418977445049 5299219 CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)C3=CC=NO3 1 3.19 4 2 -3.50776490165603 5299205 C1=CC(=CC(=C1)Cl)NC(=O)C2=CN=CN2 1 1.457 3 1 0 4.18649477752436 5299203 COC1=CC=CC(=C1)NC(=O)C2=CN=CN2 1 0.776 3 2 0 1.38136470636244 5299034 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC3=CC=CO3 1 1.289 3 3 0 -18.6766693159765 5299030 CC1=CC(=C(C=C1)C)OCCNC2=C(C=CC=N2)[N+](=O)[O-] 1 3.526 3 3 -2.03301522286968 5299021 CC1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=C(C=C2)C3=CSC(=N3)C 1 2.469 3 3 -8.72701890359965 5299020 CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3OC)Cl)OC 1 3.909 2 3 -7.30505291973007 5298782 CC(=CC1C(C1(C)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.136 2 4 -20.5634083803244 5298773 CC1=CC(=C(C(=C1N2C=NN=N2)C)S(=O)(=O)NC3=CC=C(C=C3)N(C)C)C 1 2.825 6 2 0 -12.8702591739747 5298770 CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C(=O)C(=O)N4CCOCC4 1 3.045 2 3 -11.097587683924 5298758 C1=CC(=CC=C1C(=O)CN2C(=NC(=N2)Cl)Cl)F 1 2.989 3 1 -2.08717590943846 5298755 CC(=O)NC1=CC=C(C=C1)OCC(CN2C=NC=N2)O 1 3.7e-002 4 3 0 -9.20333470193467 5298754 CC(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl)N3C=NC=N3 1 0.935 5 3 0 -22.0628080158721 5298752 CC1=C(N(N=C1C)CC(COC2=CC=C(C=C2)NC(=O)C)O)C 1 1.636 3 3 0 -5.64745042057577 5298745 C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 0.813 4 6 0 -20.4246610716156 5298742 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 0.654 4 5 0 -17.187728429369 5298741 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)Br 1 1.508 3 3 0 -13.3155929384116 5298729 CCOC(=O)C1=CC(=CC=C1)NC(=O)COC2=NSN=C2N3CCOCC3 1 1.324 4 5 0 -11.8003882712053 5298671 CCCC#CCN1CCN(CC1)C23CC4CC(C2)CC(C4)C3 1 4.474 2 0 -1.15755030863855 5298657 COC1=CC=C(C=C1)C2N(CCCN2S(=O)(=O)C3=CC=CC=C3)C(=O)CN4CCCC4 1 2.46 3 4 0 -13.8161450741625 5298617 CC1=CC=C(C=C1)NC(=O)CSCC2=CC=CO2 1 2.683 1 2 -7.28552586312416 5298556 C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3C(F)(F)F 1 3.888 2 2 -9.87682976375516 5298553 CC1=C(C=CC(=C1)OCC(=O)N2CCOCC2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.988 2 7 0 -19.3833588852689 5298551 C1COCCN1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 2.361 2 4 -6.13847067698068 5298550 CC1=CC(=C(C=C1)C)OCCNC2=NC=C(C=C2)[N+](=O)[O-] 1 3.053 3 3 -3.32638170450498 5298408 CC1=C(C=C(C=C1)N2CCCC2=O)S(=O)(=O)N3CCOCC3 1 0.702 2 4 0 -22.8826165863885 5298401 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=NC=C3 1 2.835 2 4 -8.40590016493004 5298400 CC1=NC2=C(C=C(C=C2)NC(=O)C3=C(C=CC=C3OC)OC)N=C1C 1 2.611 3 3 -7.68060495900278 5298383 CC1=CC=C(C=C1)S(=O)(=O)NCC2(CCN(CC2)C)C3=CC=CC=C3 1 3.222 2 2 -8.27517983372352 5298343 CCC1=CC=C(C=C1)S(=O)(=O)NCCOC2=CC=CC3=C2N=CC=C3 1 3.502 2 3 -9.36238908260889 5298329 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2C(=O)N3CCC4=CC=CC=C4C3 1 2.434 2 5 0 -16.6608957702961 5298324 COC1=C(C=C(C(=C1)CCNC(=O)OC)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32)OC 1 1.388 3 7 0 -24.2883225882542 5298301 CC1=CC(=CC(=C1S(=O)(=O)NCCOC2=CC=CC=C2)C)N3C=NN=N3 1 2.232 5 3 0 -15.7336984381934 5298299 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32)C#N 1 1.541 3 4 0 -19.7146301372345 5298288 CC1=NN(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.077 3 1 -4.64429553296756 5298282 C1C(CNC1=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.173 3 5 0 -8.81689728787208 5298203 COC1=C(C=CC(=C1)C(=S)N2CCC(CC2)CC3=CC=CC=C3)OCC(=O)N 1 4.146 2 3 -9.79809509739516 5298182 C#CCN1C2=CC=CC=C2N=C1CCNC(=O)C3=CC=CO3 1 3.371 3 2 -8.51532552974518 5298180 C1COCCN1CC(CN2C=NC3=CC=CC=C32)O 1 0.867 3 2 0 -3.45429834307699 5298145 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC(=NO3)CN4C=C(C=N4)[N+](=O)[O-] 1 0.582 6 6 0 -14.822480165743 5298143 C1CC1NC(=O)C2=NC(=NO2)CN3C=CC(=N3)[N+](=O)[O-] 1 0.259 6 4 0 -12.8539953863164 5298142 C1=CC=NC(=C1)CNC(=O)C2=NC(=NO2)CN3C=CC(=N3)[N+](=O)[O-] 1 0.418 7 4 0 -15.0983511263721 5298141 C1CC(OC1)CNC(=O)C2=NC(=NO2)CN3C=CC(=N3)[N+](=O)[O-] 1 0.128 6 5 0 -17.4316238056616 5298137 CC1CCC(CC1)NC(=O)C2=NC(=NO2)CN3C(=C(C(=N3)C)Br)C 1 2.623 5 2 0 -12.2996971119514 5298135 CC1=C(C(=NN1C(=O)CN2C=CC(=N2)[N+](=O)[O-])C)Cl 1 1.955 5 3 0 -8.67524979194988 5298123 CC(=O)C1=CC2=C(C=C1NC(=O)CCN3C=NN=N3)OCO2 1 -0.468 5 4 0 -27.4380494285808 5298113 CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC2=CC3=C(C=C2)C=NN3 1 3.598 3 2 1.37396259237449 5298107 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2S(=O)(=O)N3CCCC3C(=O)OC 1 1.986 2 8 0 -17.6842003291362 5297979 C1CC1NC(=O)C2=NC(=NO2)CN3C=C(C=N3)[N+](=O)[O-] 1 -0.28 6 4 0 -13.163057998928 5297976 CC1=C(C(=NN1CC2=NOC(=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)C)Br 1 1.864 5 4 0 -11.874547798653 5297974 CC1=C(C(=NN1CC2=NOC(=N2)C(=O)NCCCN3C=CN=C3)C)Br 1 0.317 7 2 0 -8.8337330780868 5297899 C1C(C1(Cl)Cl)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.372 2 3 -6.52609000605849 5297890 CN1C2=C(N=C1OC3=CC(=CC=C3)Br)N(C(=O)N(C2=O)C)C 1 2.75 4 3 0 -6.55419111312435 5297786 COC1=CC=CC2=C1CCC3=C(C4=CC=CC=C4N=C32)C(=O)O 1 4.177 1 3 -1.63216424714602 5297754 C1=CC=C2C=C(C=CC2=C1)C3=NC4=C(C=C(C=C4)F)C(=C3)C(=O)O 1 4.706 1 2 5.95665797573037 5297750 CC1=CC2=C(C=C1)NC(=O)C2(C3=CC(=C(C=C3)OC)OC)O 1 2.167 1 4 -7.94773117645938 5297749 CC1=CC2=C(C=C1)NC(=O)C2(C3=CC=C(C=C3)OC)O 1 2.183 1 3 -3.23410235641138 5297747 CN1CCC(CC1)(CN)N2CCN(CC2)C3=CC=CC=C3 1 1.087 4 0 0 4.29864682281328 5297706 C1CN(CC2=C(C3=CC=CC=C3N=C21)N)CC4=CC=CC=C4 1 3.143 3 0 4.91895097686569 5297702 C1CN(C2=NC3=C(C(=CC=C3)Cl)C(=C21)N)C4=CC=CC=C4 1 3.666 3 0 2.78237137409446 5297668 COC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)O 1 1.697 1 3 0 -3.64713592102972 5297654 C1=CC(=CC=C1C2(C3=C(C=CC(=C3)Br)NC2=O)O)F 1 2.667 1 2 -0.968641047530932 5297651 COC1=CC=CC=C1C2(C3=CC=CC=C3NC2=O)O 1 1.697 1 3 0 -4.99447164905155 5297649 CC1=CC2=C(C=C1)NC(=O)C2(C3=CC=CC=C3OC)O 1 2.183 1 3 -4.35470834916694 5297648 COC1=CC=CC(=C1)C2(C3=CC=CC=C3NC2=O)O 1 1.697 1 3 0 -3.1721332587606 5297644 CN1CC(=O)NC2=C(C1=O)C=C(C=C2)Br 1 0.798 2 2 0 -6.923931759202 5297548 C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C(F)(F)F 1 2.877 4 3 0 -12.5261377959517 5297510 COC1=CC=C(C=C1)C(CC(=O)O)N2C(=O)CCC2=O 1 0.739 1 5 0 -13.0046949562075 5297453 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN=C2CC3=CC=CC=C3)C 1 3.327 2 3 -10.6977269930277 5297397 CN1C=C(C2=CC=CC=C21)C(=O)C(=O)N3CCC4=CC=CC=C43 1 3.28 2 2 -8.4560792054701 5297393 C1=CC(=CC(=C1)Cl)NC(=O)C2=NN=CC=C2 1 2.089 3 1 -3.0138875457104 5297391 COC1=CC=CC(=C1)NC(=O)C2=NN=CC=C2 1 1.408 3 2 0 -5.81901761687232 5297390 COC1=CC=C(C=C1)NC(=O)C2=NN=CC=C2 1 1.408 3 2 0 -6.0783287850352 5297388 C1=CC(=NN=C1)C(=O)NC2=CC=C(C=C2)F 1 1.63 3 1 0 -4.95348555042581 5297376 CC(=O)NC1=CC=C(C=C1)NC(=O)CCN2C=NN=N2 1 -0.855 6 2 0 -24.6068023864579 5297318 CC1=C(SC=N1)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.586 2 1 -6.7661215337407 5297270 CN1C=C(C(=O)C2=CC=CC=C21)C(=O)NC3=CC=CC=N3 1 1.7 3 2 0 -5.80475028118549 5297225 C1=CC(=CC(=C1)NC(=O)C2=NN=CC=C2)C(F)(F)F 1 2.367 3 1 -1.39694421279111 5297182 CSC1=CC(=C(C=C1)Cl)C(=O)N2CCOC3=CC=CC=C32 1 3.829 1 2 -2.36950676230291 5297177 CC1=CC(=CC=C1)NC(=O)CCN2C=NN=N2 1 0.511 5 1 0 -19.5292390963755 5297076 CC1=NC=CN1CCCNC(=O)C2=NC(=NO2)CN3C=C(C=N3)[N+](=O)[O-] 1 -0.705 8 4 0 -15.02265951334 5297036 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC=C(O3)Br 1 2.541 3 2 -8.05150515794153 5296997 C1=CC=NC(=C1)CNC(=O)C2=NC(=NO2)CN3C=C(C=N3)[N+](=O)[O-] 1 -0.122 7 4 0 -15.3319798219657 5296996 C1=CN(C=N1)CCCNC(=O)C2=NC(=NO2)CN3C=C(C=N3)[N+](=O)[O-] 1 -0.965 8 4 0 -11.7816654451768 5296977 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC(=NO3)CN4C=CC(=N4)[N+](=O)[O-] 1 1.121 6 6 0 -14.5888514701495 5296942 C1=CC(=CC=C1NC(=O)C2=CN=CN2)Br 1 1.541 3 1 0 1.80296446630429 5296941 COC1=CC=C(C=C1)C23C4=CC=CC=C4C(=O)N2CCN3 1 2.164 2 2 -6.93730656277832 5296923 CC1=CC(=C(C=C1)C)NC(=O)CCN2C=NN=N2 1 0.997 5 1 0 -23.1955263333997 5296715 C1C2=CC=CC=C2C(NC1=S)C3=CC=C(C=C3)Cl 1 4.196 1 0 -2.5924580948833 5296669 CC1=CC=CN2C1=NC(=O)C3=C2NC(=O)CC3C4=CC(=C(C(=C4)OC)OC)OC 1 1.529 3 5 0 -15.3173392978882 5296668 CCC1=CC=C(C=C1)C2CC(=O)NC3=C2C(=O)N=C4N3C=CC=C4C 1 2.521 3 2 -12.2637343419402 5296619 C1N=C2NC3=CC=CC=C3N2CN1CC4=CC5=C(C=C4)OCO5 1 2.432 4 2 -6.76792250397293 5296525 CCC(C)N1CC2=C(NC1)N(C(=S)NC2=O)C3=CC=CC(=C3)C 1 4.073 4 1 -6.12340170810804 5296516 CCOC(=O)C1=C(OC2=C(C1C3=CC(=CS3)CSC4=NN=NN4C)C(=O)CC(C2)(C)C)N 1 2.356 5 4 0 -33.3649571212153 5296511 CCOC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3C 1 2.951 5 4 0 -8.9557337508791 5296504 CCOC(=O)CC(C1=CC=CC=C1Cl)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3F 1 3.351 5 3 0 -12.1841603916796 5296502 CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)O 1 2.428 1 5 -10.4608781353514 5296495 C1COCCN1C(=O)C2=CC=CC=C2OC3=NC(=NN3CC(=O)N)[N+](=O)[O-] 1 0.268 6 6 0 -13.8025891345052 5296436 COC1=CC(=CC(=C1OC)OC)C2CC(=O)N=C3C2=C(NN3)C4=CC=CC=C4 1 2.029 3 4 0 -9.59775412923006 5296435 COC1=C(C=C(C=C1)C2CC(=O)N=C3C2=C(NN3)C4=CC=CC=C4)OC 1 2.046 3 3 -10.5341119963157 5296434 COC1=CC(=C(C=C1)OC)C2CC(=O)N=C3C2=C(NN3)C4=CC=CC=C4 1 2.046 3 3 -8.25695212381263 5296331 COC1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 0.856 2 7 0 -15.3606318323169 5296296 C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.042 2 7 0 -15.0196044589317 5296277 CC1CC2=CC=CC=C2N1C(=O)CN3CCC(CC3)C(=O)N 1 1.088 3 2 0 -6.91138850858283 5296270 CCN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)OCCO3)Cl 1 2.492 3 3 -9.99026885085741 5296263 C1=CC=C(C=C1)C2=NC(C(=O)N2)(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.391 3 3 -1.84034635446754 5296259 C1CCC2(C1)N=C(N=C3N2C4=CC=CC=C4N3)N 1 1.2 5 0 0 -0.64423899032075 5296247 CC1=C(C(=NN1CC2=NOC(=N2)C(=O)NCC3CCCO3)C)Br 1 0.871 5 3 0 -14.7927540511832 5296242 CC(C1=CC=CC=C1)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-] 1 1.964 4 3 0 -20.3301512292192 5296235 CCOC1=CC=C(C=C1)N2C(C3=C(C2=O)NCCN=C3C4=CC=C(C=C4)Cl)C5=CN=CC=C5 1 3.66 4 2 -10.929708767733 5296233 CC(C(=O)NCCC1=NC2=CC=CC=C2N1)N3C=C(C=N3)[N+](=O)[O-] 1 1.458 6 3 0 -9.95073287217581 5296221 CC1(C(N(C(=O)O1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F)(C)O)C 1 1.802 2 4 0 -1.74655176555883 5296215 COC1=CC(=C(C=C1)OC)C2CC(=O)NC3=C2C(=O)N=C4N3NC=N4 1 0.554 5 4 0 -9.52686910426454 5296155 C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=C(C(=N3)C(=O)N)[N+](=O)[O-] 1 0.209 5 6 0 -12.3726691808691 5296133 C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.077 2 7 0 -13.84655790619 5296132 C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC(=O)O)C4=CC5=C(C=C4)OCO5 1 3.039 1 5 -9.43098934997424 5296108 CC1CN2C3=C(CN(CN3)CCC4=CC=CC=C4)C(=O)N=C2S1 1 2.808 4 1 -10.1153442477489 5296103 CC1(C(N(C(=O)O1)CC(=O)NC2=CC=CC=C2)(C)O)C 1 0.859 2 4 0 -6.26901849355691 5296099 CC1(C2(CCCCC2)OC(=O)N1CCC(=O)NC3=CC(=CC=C3)F)O 1 2.445 2 4 -4.75156883420379 5296095 COC1=CC=CC(=C1)C2CC(=O)NC3=C2C(=O)N=C4N3NC=N4 1 0.57 5 3 0 -6.11313685528622 5296089 COC1=CC=CC(=C1OC)C2CC(=O)N=C3C2=C(NN3)C4=CC=CC=C4 1 2.046 3 3 -10.0290635855155 5296062 C1=COC(=C1)C(CC(=O)O)NC(=O)CC2=CC=C(C=C2)Cl 1 2.367 1 4 -11.530789119603 5296051 C1OC2=C(O1)C=C(C=C2)/C=C\C3=NC=CC4=C3NC5=CC=CC=C45 1 4.355 2 2 4.15846508747022 5296050 C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)/C=C\C4=CC=C(C=C4)C#N 1 4.466 3 0 3.19949955971228 5296049 C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)/C=C\C4=CC=C(C=C4)Cl 1 5.251 2 0 7.64723739996978 5296048 C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)/C=C\C4=CC=C(C=C4)F 1 4.792 2 0 6.53711573484821 5296032 CC1=C(C=C(C=C1)C(=O)NCCOC2=CC=CC3=C2N=CC=C3)Cl 1 4.007 2 2 -11.3851946506531 5296031 CC(=CC1C(C1(C)C)C(=O)NCCOC2=CC=CC=C2)C 1 3.387 1 2 -9.47422067998583 5296029 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)NCCOC3=CC=CC=C3 1 2.995 2 3 -3.23979952245323 5295978 CC1=C(SC2=C1C(=O)N(C(=N2)SCCO)C3=CC=CC=C3)C 1 3.692 2 2 -19.1075079665181 5295958 CC(C)C1=CC=CC=C1OCCNC(=O)C2=CN=CC=C2 1 2.713 2 2 -9.19056089678344 5295956 C1CN(C2=CC=CC=C21)S(=O)C34CC5CC(C3)CC(C5)C4 1 3.566 1 1 3.19790363861123 5295952 CC1=C(C(=CC=C1)C)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3 1 3.152 2 3 -15.680545518796 5295920 C1=CC(=CC(=C1)S(=O)(=O)NCCC2=CC=CS2)[N+](=O)[O-] 1 2.207 2 4 -9.99557826507326 5295909 C1CN(CCN1C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)NS(=O)(=O)C4=CC=CC=C4 1 2.315 3 5 0 -18.3959206878846 5295850 CCC1(CC2=CC=CC=C2C3=C1C(=O)NN3)C 1 1.94 2 1 0 -6.95223593383667 5295847 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=NN3CCCO 1 0.151 5 4 0 -25.1579766091517 5295834 CC1=C2C(SCC(=O)N=C2N(N1)C3CCOC(C3)(C)C)C4=CC5=C(C=C4)OCO5 1 1.479 3 4 0 -15.9735512332421 5295811 CC1=CC=CC2=C1NC(=O)C23OCC(CO3)(CO)[N+](=O)[O-] 1 0.461 2 6 0 -5.14560270110101 5295803 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)N(C1=O)C 1 1.837 3 3 0 -4.16953172185029 5295790 CCN1CCN(CC1)C2=NC(=NC3=C2SC(=S)N3CC4=CC=CC=C4)C 1 4.31 5 0 -2.63422253153887 5295768 C1=CC=C2C(=C1)N=C(C3=NN=CN23)NCC4=CC=C(C=C4)F 1 2.904 5 0 1.61962024259673 5295766 COC1=CC=CC=C1NC2=NC3=CC=CC=C3N4C2=NN=C4 1 2.676 5 1 1.81912865053703 5295765 COC1=CC(=C(C=C1)OC)NC2=NC3=CC=CC=C3N4C2=NN=C4 1 2.659 5 2 0 2.26554010983429 5295764 CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NN=C4)Cl 1 3.843 5 0 4.86982889643622 5295762 C1=CC=C2C(=C1)N=C(C3=NN=CN23)NC4=CC(=CC=C4)F 1 2.897 5 0 6.13158448163317 5295761 CC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NN=C4)Cl 1 3.843 5 0 6.33375321107098 5295760 CC(=O)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3N4C2=NN=C4 1 2.432 5 1 0.450938588361617 5295759 CC1=C2C(SCC(=O)N=C2N(N1)C3CCOC(C3)(C)C)C4=CC=C(C=C4)OC(C)C 1 2.421 3 3 -15.2372671177029 5295758 CCOC1=CC=C(C=C1)C2C3=C(NN(C3=NC(=O)CS2)C4CCOC(C4)(C)C)C 1 2.043 3 3 -14.8022981894123 5295719 CC1=NC(=C(N1C)C(=O)OCC2=CC=CC=C2Br)[N+](=O)[O-] 1 3.096 3 4 0 -2.88390633080058 5295704 COC(=O)C1=NN(C=C1)CC2=CC=CC=C2Cl 1 3.011 2 2 -9.73299270671076 5295682 CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)F 1 3.421 3 3 -9.02895772411958 5295671 CC1=NN=C2N1N(C(=C(S2)C(=O)C)C3=CC=CC=C3)C(=O)C 1 1.049 4 2 0 -4.42895691268879 5295645 CC1=CC2=C(C=C1S(=O)(=O)NCC3=CC=CC=C3)NC(=O)CO2 1 1.6 2 4 0 -3.67000497511106 5295643 CC1=CC2=C(C=C1S(=O)(=O)NCCC3=CC=CC=C3)NC(=O)CO2 1 1.921 2 4 0 -5.14369042278026 5295638 CCCC1=CC=CC=C1OCCNS(=O)(=O)C2=CC3=C(C=C2C)OCC(=O)N3 1 3.048 2 5 0 -6.5634963529038 5295636 CC1=CC2=C(C=C1S(=O)(=O)NC3=C(C(=CC=C3)F)C)NC(=O)CO2 1 2.285 2 4 -2.196099539588 5295635 CC1=CC2=C(C=C1S(=O)(=O)N(C)C3=CC=CC=C3)NC(=O)CO2 1 1.799 2 4 0 -5.69824041951353 5295631 CC1=CC2=C(C=C1S(=O)(=O)N3CCOCC3)NC(=O)CO2 1 -9.e-002 2 5 0 -12.7494531097028 5295630 CC1=CC2=C(C=C1S(=O)(=O)N(C)C3=CC=CC=C3C(=O)OC)NC(=O)CO2 1 1.655 2 6 0 -11.4027865580072 5295628 CC1=CC2=C(C=C1S(=O)(=O)N3CCC4=CC=CC=C43)NC(=O)CO2 1 1.874 2 4 0 -11.7417003366287 5295624 CC(C)CC1=CC=C(O1)C(=O)NCCOC2=CC=CC=C2 1 3.585 1 3 -4.84402413411718 5295620 CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)COCC(F)(F)F 1 2.617 2 4 -18.7808297006839 5295616 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N(C2=O)CC(=O)O 1 2.195 2 3 -9.09331537639567 5295602 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(O3)CC(C)C 1 2.623 3 3 -12.4411398058961 5295600 CC(C)CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 4.354 2 2 -2.02717649322 5295598 C1COC2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)C(F)(F)F 1 3.565 1 2 -2.36171728164867 5295594 COC1=CC(=CC(=C1OC)OC)C(=O)NCCOC2=CC=CC3=C2N=CC=C3 1 2.807 2 5 0 -15.1190777599565 5295584 CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C 1 2.012 2 3 -14.7816209666382 5295583 CC1=C(C=CC=C1F)NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C 1 2.498 2 3 -15.2949914885978 5295579 CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3CC3 1 0.719 2 3 0 -18.1340647216748 5295578 CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C 1 2.778 2 3 -16.7498389131158 5295572 C1=CC=C2C(=C1)C=NN=C2SCC(=O)NC3=CC=C(C=C3)F 1 3.043 3 1 -6.63416315789387 5295565 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(CCC2)C#N 1 1.98 2 4 0 -11.8092091867181 5295556 CC1=CC=C(O1)C(=O)CSC2=NC=NC3=CC=CC=C32 1 3.265 2 2 -1.12616580116072 5295554 CC1C2=CC=C(N2CCN1C(=O)C3=CC=C(C=C3)OC)C 1 2.637 2 2 -12.0020044644676 5295551 CC(C)(C)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 2.811 2 3 -6.36646359746859 5295550 CC1=CC(=CC(=C1OC)C)NC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 2.36 2 4 -7.43534864529534 5295549 C1CC1NC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 0.317 2 3 0 -8.5877431953011 5295548 COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC 1 1.371 2 5 0 -11.5288963546137 5295507 CCN1C(=C(C=N1)Br)C(=O)NC2=CC(=CC=C2)F 1 2.858 3 1 -2.90555885105279 5295506 CCN1C(=C(C=N1)Br)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.439 3 3 -9.09843523551355 5295491 CCN1C2=C(C(=NC(=N2)C3=CC=CC=C3)N4CCCCC4)SC1=S 1 5.351 4 0 2.34984333114294 5295486 CC1(CC(CC(N1)(C)C)NC(=O)C2=[N+](ON=C2N)[O-])C 1 -2.887 5 3 0 -10.8783239374827 5295485 CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CS3)CN4CCOCC4)C(=O)NC5=CC=CC=C5 1 2.542 3 3 -30.179682747851 5295465 CN1C(=NN=N1)SCC2=CSC(=C2)C3C(=C(OC4=C3C(=O)CCC4)N)C#N 1 1.572 6 2 0 -28.2848017428851 5295436 C1COCCN1C(=O)CN2N=C(N=N2)C3=CC=CS3 1 0.412 5 2 0 -12.1373195601866 5295421 CCC(C)(C#C)NC(=O)CN1N=C(N=N1)C2=CC(=CC=C2)C(F)(F)F 1 3.805 5 1 -0.71958304726558 5295410 CN(C)C1=NC(=NC(=N1)N)CN2N=C(N=N2)C3=CC=C(C=C3)C(F)(F)F 1 1.872 9 0 0 3.66979372770571 5295402 CCOC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3F 1 2.67 5 4 0 -11.4407803764983 5295401 CCOC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3Cl 1 3.129 5 4 0 -9.51626383480418 5295384 C#CCSC1=NC(=C2C(C(=C(OC2=N1)N)C#N)C3=CN=CC=C3)N 1 2.519 6 1 0 -13.7421234222247 5295383 CSC1=NC(=C2C(C(=C(OC2=N1)N)C#N)C3=CN=CC=C3)N 1 1.327 6 1 0 -8.99478191055786 5295330 CCCCCCNC1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-] 1 3.676 2 3 -10.0410620227884 5295327 CCCOC1=C(C(=CC(=N1)C)COC)C(=O)N 1 1.163 2 3 0 -3.90528153417459 5295326 CCN(CC)CCCNC1=C(C(=CC(=N1)C)COC)C#N 1 1.891 4 1 0 -6.28113729228444 5295250 CCCC(=O)C1=C(C=C(OC1=O)C)NCCO 1 0.346 1 4 0 -10.9397182574617 5295191 CCC(CO)NC1=C(C(=O)OC(=C1)C)C(=O)CC 1 0.791 1 4 0 -10.534067888553 5295192 CCC(=O)C1=C(C=C(OC1=O)C)NCC=C 1 1.046 1 3 0 -13.4822105433461 5295222 CCCNC1=C(C(=O)OC(=C1)C)C(=O)CC 1 1.302 1 3 0 -9.48390987397216 5295166 CCC(=O)C1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N=N2)O 1 3.169 3 3 -10.1934281045241 5295151 CC1=CC2=C3C=CC=CC3=NC(N2N1)C4=CC=CC=C4 1 2.182 3 0 -2.58273098581415 5295143 CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)CN5CCOCC5)C(=O)CC(C3)(C)C 1 4.056 4 2 -17.431378818043 5295122 CN1C=C(C(=O)C2=CC=CC=C21)C(=O)NCCO 1 0.195 2 3 0 -9.43212274014954 5295113 CC1(C(N(C(=O)O1)CCC(=O)NC2=CC(=CC=C2)F)(C)O)C 1 1.313 2 4 0 -4.75989579451588 5295112 CC1=CC2=C(C=C1)NC3=C2CCN4C3(C(OC4=O)(C)C)C 1 3.586 2 2 -2.65939490049857 5295107 CC1=CC2=C3C=C(NN3C(N=C2C(=C1)C)C4=CN=CC=C4)C 1 1.924 4 0 0 -4.22321795043162 5295102 CC1=CC2=C3C=C(NN3C(N=C2C=C1)C4=C(C=CS4)C)C 1 3.073 3 0 -3.52839081341007 5295096 CC1=CC2=C3C=CC=CC3=NC(N2N1)C4=CSC=C4 1 1.844 3 0 0 -4.95195395636796 5295094 CC1=CC2=C3C=CC=CC3=NC(N2N1)C4=CC=CC=C4Cl 1 2.846 3 0 -4.14228974409135 5295079 CC1=CC2=C3C=CC=CC3=NC(N2N1)C4=CC=CS4 1 2.14 3 0 -6.11219808470602 5295075 CC1=CC2=C3C=CC=CC3=NC(N2N1)C4=CC=C(C=C4)N(C)C 1 2.344 4 0 -4.79166368016657 5295074 CC1=CC2=C3C=CC=CC3=NC(N2N1)C4=CC=CO4 1 1.582 3 1 0 -6.78180101708474 5295070 CC1=CC2=C3C=CC=CC3=NC(N2N1)C4=CNC5=CC=CC=C54 1 2.475 4 0 -3.35863887657637 5295058 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-7.84882415947502 5308799 C1CC(CN(C1)S(=O)(=O)C2=CN=CN2)C(=O)NCC3=CC=CO3 1 -0.461 4 4 0 -13.8570875251005 5308797 CC1CCC2=NN(C=C2C1)CC(=O)NC3=CC=CC=C3C(=O)OC 1 2.743 3 3 -15.757830788756 5308796 CN1C2=C(C=C1C(=O)N3CCCC(C3)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5)SC=C2 1 2.285 4 4 0 -6.89546815230776 5308795 CCN(CC1=CC=CC=C1)C(=O)CC2C(=O)NC3=CC=CC=C3O2 1 2.201 2 3 -17.5282889390798 5308794 C1CC(CN(C1)S(=O)(=O)C2=CN=CN2)C(=O)NC3=CC4=C(C=C3)OCCO4 1 0.136 4 5 0 -8.85326114936011 5308793 C1C(=O)N(C(=O)CN1C2=NC3=CC=CC=C3N4C2=NN=C4)CCC5=CC=CC=C5 1 1.962 6 2 0 1.1538380188594 5308792 CCOC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N 1 2.847 5 2 0 -18.6586209655369 5308791 CCOC(=O)N1CCN(CC1)C(=O)CN2C3=C(COC4=CC=CC=C43)C=N2 1 1.501 4 4 0 -7.97699597732786 5308790 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.828 3 5 0 -8.38650933429195 5308789 COC1=CC=C(C=C1)N2C(N3CCCC3C2=O)C4=CC=CC=C4 1 3.344 2 2 -3.18783627332757 5308788 CC1=NOC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)F)/C=C/N(C)C 1 1.588 4 4 0 -14.1414600967323 5308787 CC1=NC2=CC=CC=C2C3=C1C=C(O3)C(=O)NCC4=C(C=C(C=C4)OC)OC 1 3.652 2 4 -6.73009022578924 5308786 C1CC2C(=O)N(C(N2C1)C3=CC=CC=C3)C4=CC(=CC=C4)Cl 1 4.025 2 1 0.815779841447332 5308785 C1CCC(CC1)N2CCN(CC2)CC(=O)C3=CC4=C(C=C3)C=CN4 1 3.685 3 1 -0.928850871898471 5308784 CC1=NOC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)OCO4)/C=C/N(C)C 1 1.143 4 6 0 -10.5576962674312 5308781 C1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)N3C=CC=C3 1 3.808 2 1 -6.60191212623208 5308780 CCC(C(=O)OCC)N1C(=O)C2=CC3=C(N2C(=N1)C)C=CS3 1 2.892 3 3 -9.37011162521011 5308779 CC(C)C1=CC(=NO1)C(=O)NC2=CC=CC(=C2)C(=O)C 1 2.512 2 3 -12.9063086341297 5308778 CN1C2=C(C=C(S2)C(=O)N3CCOCC3)C(=N1)C4=CC=C(C=C4)Cl 1 3.224 3 2 -2.97585816970818 5308777 CC1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=C(O2)C=CC(=C3)C 1 2.612 2 3 -10.4335976504275 5308776 CC1=CC=C(C=C1)S(=O)(=O)N2C3CC(C2C(=O)O)C=C3 1 1.594 1 4 0 -8.55124652310444 5308774 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NN=C(S3)N(C)CC4=CC=CC=C4 1 3.302 5 2 0 -11.1167793302473 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CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)N3CCOCC3 1 -0.342 3 5 0 -5.48092073583864 5308571 CN1C(=NN=C1SCC2=CC(=CC=C2)F)CN3C4=CC=CC=C4SC3=O 1 4.323 4 1 -6.46019185183165 5308569 CCN1CCN(CC1)C(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C 1 1.984 4 3 0 -18.1147121559056 5308568 CC1=CC2=C(C=C1)OC(C(=O)N2)CC(=O)NCCCN3CCN(CC3)C4=C(C=CC(=C4)C)C 1 3.352 4 3 0 -14.7435256712158 5308567 C1CN2C(=NC3=CC=CC=C32)CN1S(=O)(=O)C4=CC=C(C=C4)Br 1 3.012 3 2 -9.73731789131309 5308566 CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)CN3C4=CC=CC=C4SC3=O 1 3.376 5 2 0 -10.9276063497384 5308565 CC1=C(C(=NO1)C)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=C(C=C3)C(C)C 1 3.239 3 4 0 -14.1687858480663 5308564 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C3=C(C=CC(=C3)Cl)OC 1 4.271 3 3 2.59065563173498 5308563 COC(=O)C1=CC(=CC(=C1)NC2C3=CC=CC=C3C(=O)N2C4=CN=CC=C4)C(=O)OC 1 2.791 3 5 0 -11.8082587843203 5308562 CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NCC4CCN(C4)CC(C)C 1 1.998 4 4 0 -13.3657718247989 5308560 CN(C)C(=O)C1=NN=C(O1)CC2=CC=C(C=C2)Cl 1 1.648 3 2 0 -6.43560228963273 5308558 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)CC(=O)N3CCC4=CC=CC=C4C3 1 2.357 2 4 5.83170989519498 5308557 CCOC(=O)N1CCC(CC1)NC(=O)C2=CSC3=C2CCCC3 1 2.445 2 3 -9.46250602180176 5308555 CCCN1C(C2=C(C1=O)C=C(C=C2)C(=O)NCCC3=CC=CC(=C3)C)O 1 3.129 2 3 -10.2797995678578 5308554 CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)CC3=C(OC(=N3)C4=CC=C(C=C4)Cl)C 1 2.981 4 4 0 14.1468915678184 5308553 CC1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C 1 2.932 3 5 0 -17.928194649554 5308552 CN(C)C1=CC=C(C=C1)C2N3CCCC3C(=O)N2C4=CC(=CC=C4)Cl 1 4.187 3 1 -1.29575862638031 5308551 CC1=CC(=NC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CN3 1 0.225 5 3 0 -3.49309082646749 5308550 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CN=CC=C3 1 2.037 2 5 0 -15.4979381072629 5308549 COC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.828 3 5 0 -9.70743025561889 5308547 CN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)CN4C5=CC=CC=C5SC4=O 1 2.945 5 4 0 -18.1915353514187 5308546 C1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.671 3 3 -17.8657791357086 5308545 CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 1.175 4 5 0 -19.6206123929225 5308543 C1CCC2=NN(C=C2C1)CC(=O)NCC3=CC=CS3 1 2.383 3 1 -15.9266247025598 5308542 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CN3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.655 5 2 0 16.6547297815906 5308540 C1CCC2=CN(N=C2CC1)CC(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 3.21 4 1 -6.15965797821049 5308539 CN1C(=NN=C1SCC2=CN=CC=C2)CN3C4=CC=CC=C4SC3=O 1 2.967 5 1 -9.1237735498654 5308538 C1CC1NC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3 1 3.028 1 2 -6.00401817732098 5308537 COC1=CC=CC(=C1)C2CC(N3C(=N2)N=CN3)C4=CC=CC=C4OC 1 2.023 4 2 1.71694540523326 5308536 COC1=CC=CC=C1NC(=O)NCCN2C(=O)C3C4CC(C3C2=O)C=C4 1 0.859 3 4 0 -12.9137671368216 5308535 CC1(CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)N3CCN(CC3)C4=NC=CC=N4)C 1 0.216 5 4 0 -7.0412311960414 5308534 C1CNC2=C1C=C(C=C2)C(CN3CCN(CC3)C4=CC=CC=C4)O 1 2.905 3 1 -1.19648267175446 5308531 CCOC1=CC=C(C=C1)C2CC(N3C(=N2)N=CN3)C4=CC=C(C=C4)F 1 2.594 4 1 2.03965364583714 5308529 CCC(C)NC(=O)CC1C(=O)NC2=C(O1)C=CC(=C2)C 1 1.799 2 3 0 -18.4625350879035 5308528 COC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCOCC3 1 1.498 1 6 0 -14.2655933479545 5308527 CCCCNC(=O)CS(=O)CC1=C(OC(=N1)C2=CC=CS2)C 1 1.791 2 3 0 -0.464405615758034 5308526 CC1=CC=CC=C1N2C(=NN=C2SC)CN3C4=CC=CC=C4SC3=O 1 4.597 4 1 -4.61268371599704 5308525 COC1=CC=CC=C1C2=CC(=NO2)C(=O)N3CCCCC3 1 2.837 2 3 -5.30894780994636 5308524 CCOC1=CC=C(C=C1)N(CC(=O)NC(C)(C)C)S(=O)(=O)C2=C(ON=C2C)C 1 1.729 3 5 0 -19.5326509195283 5308522 CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)OC)CN3C4=CC=CC=C4SC3=O 1 3.818 5 3 0 -13.0024071767948 5308521 CCOC(=O)N1CCC(CC1)NC(=O)CN2C=C3CCCCCC3=N2 1 1.878 4 3 0 -12.1879262987781 5308520 CC(C)CC1=CC(=NO1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.481 3 2 -0.726744551732243 5308519 CCN1C2=C(C=C1C(=O)N3CCC(CC3)C(=O)NCC4=CC5=C(C=C4)OCO5)SC=C2 1 3.368 3 4 0 -11.840544589737 5308518 CC1=C(C(=CC=C1)NC(=O)CS(=O)(=O)CC2=C(OC(=N2)C3=CC(=CC=C3)OC)C)C 1 3.138 2 5 0 7.7309404672686 5308517 CN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)F)CN3C4=CC=CC=C4SC3=O 1 3.383 5 2 0 -15.7844043887283 5308516 C1CCC2=CN(N=C2CC1)CC(=O)N3CCCCC3 1 2.639 3 1 -10.1656593473955 5308515 CC1=CC(=NN1C2=NC=C(N=N2)C3=CC=CC=C3)C 1 2.706 5 0 2.38979334935548 5308513 CCOC(=O)CCC1=C(N=C2C(=C1C)C(=NN2C(C)(C)C)C)C 1 3.406 3 2 -10.0861049126245 5308512 CCCC1=CC(=NO1)C(=O)NC2=C(C=CC(=C2)Br)O 1 3.272 2 3 -2.54297815890123 5308511 CN1C(=NN=C1SCC(=O)N2CCCC3=CC=CC=C32)CN4C5=CC=CC=C5SC4=O 1 3.907 5 2 0 -15.8403789427273 5308510 C1CCN(C1)C2=C(C(=O)C2=O)N3CCC(CC3)C(=O)NC4CCCC5=CC=CC=C45 1 2.502 3 3 -3.24802118400573 5308509 CC1=NN(C(=C1)NC(=O)C2=NOC(=C2)CC(C)C)C3=CC=CC=C3 1 3.651 4 2 -8.52501641319709 5308508 C1CCC(CC1)N(CC2=CC=CO2)C(=O)CN3C4=C(C=N3)C(=O)OC5=CC=CC=C54 1 3.781 3 4 0 -14.0827268834289 5308505 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)N4CCC(=CC4)C5=CC=CC=C5)OC1=O 1 2.77 3 5 0 -17.3208673777784 5308504 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NCCN3CCOCC3 1 1.795 2 4 0 -10.5628906238685 5308503 CCOC(=O)C1=NN(C=C1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 4.144 4 3 0 1.22835363869883 5308502 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=CC=C(C=C4)F 1 2.73 3 3 -11.4742629713387 5308501 CC(C)CN(CCNC(=O)CC1C(=O)NC2=CC=CC=C2O1)CC(C)C 1 2.585 3 3 -18.1834783000576 5308499 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)N3CCCCCC3 1 1.811 2 4 0 -4.73274850035649 5308498 COC(=O)C1=C(SC2=C1CCCC2)N3C(=O)CCC3=O 1 2.015 1 4 -15.3689596241646 5308497 CC1=CC2=C(C=C1)OC(=O)C3=C2SC(=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5 1 2.847 4 3 0 -4.08000463147224 5308496 CCOC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=NC(=NN23)C)C 1 2.772 5 2 0 -11.1466147528896 5308494 CC1=NN(C(=C1)C(=O)NCCN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4 1 4.271 5 1 0.816194721454928 5308493 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3CCCC(C3)C(=O)NC(C)C4=CC5=C(C=C4)OCCO5 1 4.313 3 4 0 13.6596803212978 5308492 C1CCC(=CC1)CCNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4 1 3.271 5 1 -9.43253883573869 5308491 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N(C)C3=CC(=CC=C3)Cl 1 2.652 2 3 -2.43014753941792 5308490 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CN3C4=CC=CC=C4SC3=O 1 2.948 5 3 0 -11.1821584197282 5308489 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)C(=O)C4=CC(=CN=C4)Br 1 0.541 6 2 0 -4.36411085837745 5308486 CC1=C(C(=NN1C)C)S(=O)(=O)N(CC(=O)N2CCCCC2)C3=CC=C(C=C3)OC 1 1.768 4 4 0 -13.0031527667581 5308485 CCN(C1=CC=C(C=C1)OCC)C(=O)COC2=CC(=O)N(C3=CC=CC=C32)C 1 2.669 2 4 -7.70183123571581 5308484 COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4 1 1.385 5 5 0 -11.3400315893675 5308482 CC1CCC(CC1)NC(=O)C2(CCC(=O)N2CC3=CN=CC=C3)C 1 1.884 3 2 0 -11.9795295161454 5308481 C1CCCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.128 3 3 -17.8657791357086 5308479 CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3O2)C 1 2.612 2 3 -13.8892333146383 5308477 CC1CC2=CC=CC=C2N1C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5 1 3.183 3 3 -19.1988738848644 5308476 CC1=NC2=NC(=NN2C(=C1)NC3=CC=C(C=C3)F)C 1 2.773 5 0 -4.69365451434726 5308475 C1=CC=NC(=C1)CNC(=O)C2=NN3C=CC=CC3=C2 1 1.342 4 1 0 -10.9338677754004 5308474 CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N4CCOCC4 1 2.67 1 4 -11.0081303090415 5308473 C1CCC(C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CN3 1 0.176 4 3 0 -9.61300944868232 5308472 C1C(OC2=CC=CC=C2O1)CNC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5 1 2.111 4 4 0 -18.4995543503601 5308471 CCC1=CC=C(C=C1)NC2=CC(=NC3=NC(=NN23)C)C 1 3.51 5 0 -5.6449696755916 5308468 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=NC=CS4 1 1.522 4 3 0 -14.4434191703 5308467 CC1=NC2=NC=NN2C(=C1)NC3=C(C=C(C=C3)F)Cl 1 3.482 5 0 -7.72671487252442 5308466 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NCCN(C)C 1 1.738 4 2 0 -3.13110933574497 5308465 CC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=C(N(N=C3C)C)C 1 2.231 4 3 0 -16.3682150136038 5308464 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCCO3 1 -0.207 3 5 0 -7.68555942578712 5308463 CC(C)(CC1=NC(=NO1)C2=CC=C(C=C2)Cl)CC(=O)O 1 2.904 2 3 0.737882017136067 5308461 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3C(=O)O)C(=O)O 1 2.192 1 7 0 -8.53613048195071 5308460 COC1=CC=C(C=C1)NC(=O)NCCCN2CCC3=CC=CC=C3C2 1 2.789 3 2 -9.95729844629928 5308459 CC1CC2=CC=CC=C2N1C(=O)CN3C4=C(C=C(C=C4)S(=O)(=O)NC5CCCC5)OC3=O 1 3.153 3 5 0 -15.6931502506842 5308458 CC(C)N(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl 1 3.801 3 2 0.236394577256042 5308457 C1C(=O)N(C2=C(S1=O)C=CC(=C2)C(=O)NCC3=CC=CO3)CC4=CC=CC=C4 1 1.829 2 4 0 -13.3621143887652 5308455 C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.9 2 5 0 -18.4327762161672 5308454 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=C(C=C(C=C2)C)C)C 1 3.808 2 3 -13.6308505659428 5308452 COC1=CC(=CC(=C1OC)OC)C2N3CCCC3C(=O)N2C4=CC=C(C=C4)F 1 3.516 2 4 -4.84497163140227 5308451 CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)N3CCCC3)C 1 3.501 2 3 -8.76596896780098 5308449 CC1=CC2=C(C=C1)N[C@@H]([C@H]3[C@@H]2OCC3)C4=CC=NC=C4 1 2.337 2 1 1.37251214513173 5308448 CC1CCCCN1C2=NN=C(S2)NC(=O)CN3C4=CC=CC=C4OC3=O 1 2.035 5 3 0 -12.0050498789682 5308447 C1=CC=NC(=C1)CNC(=O)C2=NN=C(O2)CC3=CC=C(C=C3)Cl 1 2.091 4 2 -10.6467208114835 5308446 COC1=CC=C(C=C1)N2C(N3CCCC3C2=O)C4=C(C(=CC=C4)OC)OC 1 3.311 2 4 -5.66315658506813 5308445 CC1=CC=C(C=C1)C2N3CCCC3C(=O)N2C4=CC=C(C=C4)OC 1 3.83 2 2 -2.73548258906734 5308444 C1=CC(=CC(=C1)Cl)OCC2=NC(=C(O2)NCC3=CC=CO3)C#N 1 3.158 3 3 -5.75045877152528 5308443 CC1=CC=C(C=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4)CC5=CN=CC=C5)O3 1 1.027 3 3 0 -0.740070557757172 5308442 C1=CC=C(C=C1)CCNC2=NN3C=NN=C3C=C2 1 1.938 5 0 0 -3.85747253722556 5308441 CCOC(=O)C1CCN(CC1)C(=O)CN2C=C3CC(CCC3=N2)C 1 2.194 3 3 -15.3174123715293 5308440 CCN1CCN(CC1)C(=O)C2=CC3=C(N2C)C4=CC=CC=C4N(C3=O)C 1 2.111 4 2 -3.6331015643555 5308439 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NCCOC 1 1.468 3 3 0 -8.48043268147854 5308438 COC1=CC(=CC(=C1)NC(=O)C2=NC=CN=C2C(=O)O)OC 1 0.767 3 5 0 -11.8374089344038 5308437 CC1CCCCC1NC(=O)CN2C3=CC=CC=C3C=N2 1 2.917 3 1 -13.6454455682839 5308436 C1CC2C(=O)N(C(N2C1)C3=CC(=C(C=C3)F)F)C4=CC(=CC=C4)Cl 1 4.436 2 1 2.52254199527383 5308435 CCOC1=CC=C(C=C1)C2CC(N=C3N2NC(=N3)N)C4=CC=C(C=C4)F 1 3.109 5 1 0.895590364499169 5308434 CNC(=O)CN1C(=O)CSC2=C1C=CC=N2 1 -0.168 3 2 0 -13.007999403684 5308432 CC1=NN=C2N1N=C(C=C2)N3CCN(CC3)C4=CC=CC=N4 1 1.213 7 0 0 -2.11447476322409 5308430 C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCC4CCCO4 1 2.481 3 2 -10.4305696495425 5308429 CC1CCC2=NN(C=C2C1)CC(=O)NCC3=CC=C(C=C3)F 1 3.1 3 1 -14.3275219837456 5308428 CCOC(=O)N1CCC(CC1)C2=CC(=O)N3C(=N2)C(=C(N3)C)C4=CC=C(C=C4)F 1 2.104 4 3 0 -4.50625127814714 5308426 CC1=CC2=C(C=C1)OC(C(=O)N2)CC(=O)NCC3=CC=C(C=C3)F 1 2.338 2 3 -15.3793036680197 5308425 CC1=CC=CC(=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NC3CCCC3 1 2.398 2 3 10.9857495374934 5308424 C1CC2C(=O)N(C(N2C1)C3=CC=CC=C3F)C4=CC(=CC=C4)Cl 1 4.23 2 1 0.837896292543295 5308423 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3C)C5=CC=CC=C5N(C4=O)C)C 1 4.407 4 2 2.28175979808592 5308421 C1CCN(CC1)C2CCN(CC2)C(=O)C(CC3=CC=CC=C3)N4C=CC=C4 1 3.463 3 1 -4.04500341457392 5308420 C1CCC(CC1)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=C(C=CS4)NC3=O 1 3.287 4 3 0 -10.6797938054813 5308419 CCN1C2=C(C=CC(=C2)C(=O)NC3CC3)S(=O)C4=CC=CC=C4C1=O 1 2.043 2 3 -10.9455957894468 5308417 CC1=CC(=NC=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC=CC=C4Cl 1 4.77 3 1 -4.48787494739889 5308416 CC1=NC2=NC=NN2C(=C1)NC3=CC=C(C=C3)C(C)C 1 3.806 5 0 -8.69630675631275 5308415 CCOC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)NC4=NC=C(C=C4)Cl 1 2.597 4 3 0 -5.41824723513735 5308413 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCCN3CCCC3 1 1.595 3 3 0 7.30586801389585 5308412 CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N 1 2.792 5 1 -20.313966128258 5308411 CN1C2=C(C=C1C(=O)N3CCC(CC3)C(=O)N4CCOCC4)SC=C2 1 1.562 3 3 0 -7.72615661169069 5308410 CN(C)C1=CC=C(C=C1)CNC(=O)CN(C)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 1.938 4 3 0 -18.8898721148195 5308409 C1CCC2=NN(C=C2C1)CC(=O)N3CCCC3 1 1.726 3 1 0 -9.81119083322738 5308408 CC1C2=CC(=C(C=C2CCN1C(=O)CN3C4=C(COC5=CC=CC=C54)C=N3)OC)OC 1 3.295 3 4 0 -16.1429640256354 5308407 CCOC(=O)C1=C(N=C2N=C(NN2C1C3=C(C=CC(=C3)OC)OC)C)C 1 1.041 4 4 0 -16.4441310251671 5308406 COC1=CC=CC(=C1)C2CC(N=C3N2NC(=N3)N)C4=CC=C(C=C4)F 1 2.76 5 1 3.33166355575188 5308405 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NCCN4CCCCCC4 1 3.111 4 2 -5.26620728155543 5308402 CCOC(=O)C1=CC=CC=C1NC2C3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)C 1 4.309 3 3 -12.4924125389161 5308401 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)O 1 1.115 2 6 0 -5.12859804625799 5308399 CC1=CSC(=N1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 1.049 4 3 0 -13.5647825448014 5308397 CCCCN(CCCC)CCN1C=NC2=C(C1=O)NC3=C2C=C(C=C3)OC 1 4.321 4 2 -4.52968782861886 5308396 CC1CCCN(C1)C(=O)C2=CC3=C(S2)N(N=C3C4=CC=C(C=C4)Cl)C 1 4.772 3 1 -2.32304360431248 5308395 CCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4 1 3.354 2 4 -10.5106635927199 5308394 C1CC(CN(C1)S(=O)(=O)C2=CN=CN2)C(=O)NCC3=CC=CS3 1 9.7e-002 4 3 0 -14.5518526927351 5308393 COC1=CC=CC(=C1)CN2C(=C(N=N2)C(=O)NCC3=CC=CC=C3Cl)N 1 2.842 5 2 0 -19.2857795814164 5308392 CC1=NOC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 1.581 3 4 0 -5.43698358407645 5308391 CCCN1CCN(CC1)C(=O)C2=C3C(=CC=C2)CN(C3=O)CCOC 1 1.11 3 3 0 -9.99582635504327 5308390 C1CC1C2=CC(=NO2)C(=O)NC3=C(C=C(C=C3Br)F)F 1 3.56 2 2 -10.0569231237084 5308388 CCC(C)OC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)N(C)C)C 1 4.644 2 3 -12.881436941707 5308387 C1CC(CCC1CNC2=C(C(=O)C2=O)N3CCOCC3)C(=O)N4CCN(CC4)C5=CC=CC=C5 1 1.701 4 4 0 -9.20777786858437 5308385 CCC(C)NC(=O)C1CCC(=O)N(C1C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)OCO4 1 3.379 2 5 0 -13.652856982282 5308384 CN(CCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CN=CN2)C3=CC=CC=C3 1 0.647 5 3 0 -12.8054265540209 5308383 CCC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)N)C4=CC=CC=C4C 1 3.353 5 0 -1.33711269394709 5308381 C1COC2=C(O1)C=CC(=C2)NC3C4=CC=CC=C4C(=O)N3C5=NC=C(C=C5)Cl 1 4.069 3 3 -6.90308280683607 5308380 COC1=CC=CC(=C1)C2CC(N3C(=N2)N=C(N3)N)C4=CC=C(C=C4)Cl 1 2.573 5 1 4.55250005401691 5308379 CC1=CC(=NC=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC(=C(C=C4OC)OC)Cl 1 4.737 3 3 -8.09713921251227 5308378 CC1CCC(CC1)NC(=O)CN2C3=C(C=N2)C(=O)OC4=C3C=C(C=C4)C 1 3.547 3 3 -15.1214422284874 5308376 CN1C2=C(C=C(S2)C(=O)NCCCN3CCCC3)C(=N1)C4=CC=C(C=C4)Cl 1 3.992 4 1 -2.40764704719189 5308373 C1OC2=C(O1)C=C(C=C2)CN3C(C4=CC=CC=C4C3=O)NC5=CN=CC=C5 1 2.855 3 3 -6.06708439306051 5308372 CN1CCN(CC1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 2.77 4 1 -4.51787251694266 5308371 COC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)N)C4=CC=C(C=C4)Cl 1 2.573 5 1 2.77193518132876 5308369 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3CCCC4=CC=CC=C34)OC1=O 1 3.056 2 4 -6.00138465808907 5308366 C1CCCC(CCC1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCOCC4 1 2.476 3 4 0 -9.34061461725344 5308365 CN1C(=NN=C1SCC2=CC=CC=C2F)CN3C4=CC=CC=C4SC3=O 1 4.323 4 1 -9.60235209292849 5308364 COC1=CC=C(C=C1)NC(=O)C2=NN3C=CC=CC3=C2 1 2.254 3 2 -5.70225861912496 5308363 CCOC(=O)N1CCN(CC1)C(=O)C2=CN3C(=NC4=C(C3=O)SC=C4)C=C2 1 0.874 4 4 0 -18.9448821204358 5308361 C1CCN(C1)CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br 1 3.031 2 4 -11.9035845205071 5308360 CC1=CSC(=N1)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3 1 3.394 2 2 -3.44525524267319 5308359 C1C(N=C2N=CNN2C1C3=CC=CO3)C4=CC=C(C=C4)F 1 1.55 4 1 0 -1.83274138592339 5308358 CCCC1=CC(=NO1)C(=O)NC2=CC=CC=C2C(=O)OC 1 2.621 2 4 -14.1378338238802 5308356 C1C(N=C2N=CNN2C1C3=CC=C(C=C3)F)C4=CC=CC=C4 1 2.262 4 0 2.91727338119327 5308355 CC1CCN(CC1)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)C 1 3.621 4 0 -1.91767516030554 5308354 CC1CCC(CC1)NC(=O)CN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C3=C(ON=C3C)C 1 3.548 3 4 0 -19.3374333369465 5308353 C1CCN(C1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4 1 2.342 3 3 -9.67892826843982 5308352 C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)N)CN3C4=CC=CC=C4SC3=O 1 3.292 5 2 0 -15.6414906860463 5308351 CC1=CN=C(C=C1)N2C(C3=CC=CC=C3C2=O)O 1 2.109 2 2 -4.39725723084193 5308350 CC1=C(N=C(O1)C2=CC=CC=C2F)CS(=O)(=O)CC(=O)N3CCC4=CC=CC=C43 1 2.668 2 4 -1.32943857088044 5308348 CCN1C2=C(C=C1C(=O)N3CCC4=CC=CC=C4C3)SC=C2 1 3.995 2 1 -8.75902172266678 5308347 CC(C)NC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=C(C=C2)Br 1 3.095 1 4 -15.748403294559 5308346 CC1=C(C(=NO1)C)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCO4 1 2.481 3 6 0 -16.9291503861529 5308345 CC1=NC2=CC=CC=C2C3=C1C=C(O3)C(=O)NCCN4CCN(CC4)C 1 2.198 4 2 -3.29274371861839 5308344 C1CCN(C1)CCNS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 1.527 3 2 0 -8.77863844717869 5308343 C1=CC=C(C=C1)CCNC(=O)CC2C(=O)NC3=CC=CC=C3O2 1 1.968 2 3 0 -17.8225643428529 5308342 CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O 1 3.177 5 2 0 -17.4795093159856 5308341 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NOC(=C3)C(C)C 1 4.03 4 2 -14.8970541493853 5308340 CN1C2=C(C=C(S2)C(=O)NCCCN3CCOCC3)C(=N1)C4=CC=C(C=C4)Cl 1 3.219 4 2 -5.16072177227205 5308339 CC1=NC2=CC=CC=C2C3=C1C=C(O3)C(=O)NCC4COC5=CC=CC=C5O4 1 3.565 2 4 -6.0206031112297 5308338 C1CN2C(=NC1=O)C=C(N2)C3=CC=C(C=C3)Cl 1 1.314 3 1 0 -0.609314208752668 5308337 CCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C)C(=O)C)N=N1 1 4.206 4 2 -12.7487758402022 5308336 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NC3CCCCCCC3 1 2.673 2 4 -5.8103918483991 5308335 C1C2C=CC1C3C2C(=O)N(C3=O)CCNC(=O)NC4=CC=C(C=C4)Br 1 1.623 3 3 0 -7.88947461885188 5308334 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCC3 1 3.006 1 5 -11.9620019856906 5308332 CC1=C(C(N2C(=N1)N=CN2)C3=CC=CC=N3)C(=O)OC(C)C 1 0.543 5 2 0 -16.1419199826319 5308331 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)CN4C5=CC=CC=C5SC4=O 1 3.048 5 4 0 -15.6383892019965 5308330 CC(C)CC1=CC(=NO1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N 1 4.066 3 2 -19.4122699310893 5308328 COC1=CC=CC=C1C2=CC(=NO2)C(=O)N3CCC4=CC=CC=C4C3 1 3.578 2 3 -8.90822823423344 5308326 CCC(C)NC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=C(C=C2)OC 1 2.854 1 5 -16.9764357723372 5308325 CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)CC(=O)NCCCOC 1 0.927 2 4 0 2.48464840947421 5308324 CCC(C)NC(=O)CN(C1=CC=C(C=C1)OCC)S(=O)(=O)C2=C(ON=C2C)C 1 2.048 3 5 0 -21.1804087927913 5308323 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CN3C4=CC=CC=C4SC3=O)Cl 1 4.321 5 2 0 -12.1893619349353 5308322 CC(C)CC1=CC(=NO1)C(=O)NCCC2=CC=CC=C2 1 3.345 2 2 -8.64514673880249 5308321 CCN1CCN(CC1)C(=O)C2CCN(CC2)CC3=C(OC(=N3)C4=CC=C(C=C4)Cl)C 1 2.943 4 2 14.2218640508203 5308320 CC1=C(C(N2C(=N1)N=CN2)C3=CC=CO3)C(=O)OCC4=CC=CC=C4 1 1.518 4 3 0 -17.9860530974572 5308319 CC1=CC=C(C=C1)CSC2=NN=C(N2C)CN3C4=CC=CC=C4SC3=O 1 4.604 4 1 -7.56717711967898 5308318 CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)(=O)CC(=O)NCCCN3CCCC3=O 1 0.808 3 5 0 -12.692620711524 5308317 COC1=CC=CC(=C1)CNC(=O)CN2C=C3CCCCCC3=N2 1 3.083 3 2 -13.8545687253004 5308316 CC1=C(C(=CC=C1)NC2=CC(=NC3=NC(=NN23)C)C)C 1 3.54 5 0 -3.28040697347671 5308315 C1CCC2=CN(N=C2CC1)CC(=O)N3CCC4=CC=CC=C4C3 1 3.38 3 1 -12.9773572355403 5308314 C1CCC(=CC1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.276 3 3 -23.2371561841296 5308312 CC1=C(C=NC2=CC(=NN12)C3=CC=C(C=C3)Cl)C(=O)O 1 2.626 3 2 0.586126472279693 5308310 COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)OC 1 2.492 3 5 0 -17.5162587458369 5308308 CC1=C(C(N2C(=N1)N=CN2)C3=CC=CO3)C(=O)OC4CCCCC4 1 1.793 4 3 0 -20.4415881698955 5308307 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NCCCOC(C)C 1 2.627 1 4 -13.270329836922 5308306 C1=CC=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2CCO 1 1.836 1 4 0 -6.24710189426748 5308305 CC1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.011 3 3 -10.7222615776543 5308304 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)C(=O)C4=CC5=CC=CC=C5OC4=O 1 0.973 5 4 0 -11.4637931262027 5308303 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CSCC(=O)N3CCC4=CC=CC=C4C3 1 3.452 2 4 -4.73772858476861 5308301 CC1=CC(=NN1C2=NC3=CC=CC=C3C4=NC(=NN42)C)C 1 2.465 6 0 -5.10136986492734 5308299 CC1=NC2=NC(=NN2C(=C1)NC3=CC=C(C=C3)C(=O)OC)C 1 2.423 5 2 0 -9.80938460970457 5308298 CC1CCCCN1CCNC(=O)C2=CC(=NN2C3=CC=CC=C3)C 1 3.272 4 1 -9.12736660653998 5308296 CCOC(=O)N1CCC(CC1)NC(=O)CN2C3=C(COC4=C3C=C(C=C4)C)C=N2 1 1.935 4 4 0 -10.0121038448955 5308295 CC1=NC2=NC(=NN2C(=C1)NC3=C(C=CC(=C3)OC)OC)C 1 2.535 5 2 0 -7.11980182522191 5308294 CC1=CC(=NO1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C 1 0.359 4 5 0 -18.3638491458754 5308293 C1CCCC(CCC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CN3 1 1.544 4 3 0 -9.9674779628504 5308292 C1CN(CCC1C(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.137 3 3 -22.677082197001 5308289 CC1=CC2=C(C=C1)OC(C(=O)N2)CC(=O)NC3=CC=C(C=C3)OC 1 2.109 2 4 -10.2001491673617 5308288 CCOC1=CC(=C(C=C1)OCC)NC2=CC(=NC3=NC=NN23)C 1 3.277 5 2 0 -11.9697780538572 5308287 CCN1CCN(CC1)C(=O)C2CCCN(C2)C3=NC4=C(S3)C=C(C=C4)OCC 1 2.657 4 2 -3.14564958609625 5308285 CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 1.695 3 5 0 -22.2542692854558 5308284 CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CN3 1 0.734 4 3 0 -11.0959630785814 5308283 CCCS(=O)(=O)N1CCN2C(=NC3=CC=CC=C32)C1 1 1.559 3 2 0 -14.4999291389921 5308282 C1CN(CCN1CCCNC(=O)CC2C(=O)NC3=CC=CC=C3O2)CC4=CC=CC=C4 1 1.805 4 3 0 -15.378417278864 5308281 CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CC=C3 1 2.6e-002 4 5 0 -19.3810590084671 5308280 CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)N3CCN(CC3)C)C 1 2.998 3 3 -6.3634011071003 5308277 COC1=CC=C(C=C1)C2=CC(=NO2)CCCC(=O)NCC3=CC=CC=N3 1 2.887 3 3 -14.2573626848791 5308275 CC1CCCC(N1C2=NN=C(S2)NC(=O)CN3C4=CC=CC=C4OC3=O)C 1 2.412 5 3 0 -11.4621243041806 5308274 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NN=C(O3)CC4=CC=C(C=C4)F 1 2.335 3 4 0 -11.6640427984893 5308272 C1CN(C(=O)N1CC2=CC=CC=C2F)CC(=O)NCCN3CCOCC3 1 0.275 4 3 0 -17.8682843471737 5308271 COC1=CC=C(C=C1)NC(=O)NCCN2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.362 4 2 1.27156375364176 5308270 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2)C)C)C 1 3.808 2 3 -11.2067340783813 5308268 C1CCC(C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.191 3 3 -15.6798702850511 5308267 C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCC3=CC=CC=C3 1 2.453 2 3 -17.9069846859452 5308266 COC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)SC)N)OC 1 2.696 5 3 0 -16.0978587558475 5308265 CCOC(=O)N1CCN(CC1)C(=O)CN2C3=CC=CC=C3C=N2 1 1.154 4 3 0 -8.93809584081161 5308264 CC1=C(C=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC(=CC=C3)O)C 1 4.037 2 3 -0.800171397626322 5308263 CC1CCCCC1NC(=O)CN2C3=C(C=N2)C(=O)OC4=C3C=C(C=C4)C 1 3.615 3 3 -15.9121375899953 5308262 CCOC(=O)N1CCC(CC1)NC(=O)CN2C(=O)CCSC3=CC=CC=C32 1 1.054 3 4 0 -12.3261537803325 5308261 C1CC2C(=O)N(C(N2C1)C3=CC(=CC=C3)Br)C4=CC=C(C=C4)F 1 4.314 2 1 -1.38045888117817 5308259 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N(C)C3=CC=C(C=C3)Cl 1 2.652 2 3 -2.73004797508481 5308258 C1CC(CN(C1)S(=O)(=O)C2=CN=CN2)C(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4 1 -0.38 5 5 0 -13.5789710060132 5308257 CCC(CC1=CC=CC=C1)NC(=O)CN2C(=O)CSC3=C2C=CC=N3 1 2.638 3 2 -12.0075758448256 5308254 C1CN(CCN1CC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N4C=CC=C4 1 3.976 3 1 -3.1971483416014 5308253 CN1CCN(CC1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4)OC2=O 1 1.263 4 5 0 -8.0170222465943 5308250 CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)S(=O)C4=CC=CC=C4C1=O 1 2.202 3 3 -13.6756169311858 5308247 CC1=C(C(=NO1)C)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 1.317 3 3 0 -4.6693038247929 5308246 CC1=CC=CC(=C1)C2N3CCCC3C(=O)N2C4=CC=C(C=C4)OC 1 3.83 2 2 -1.34071990000489 5308245 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC5=C(C=C4)OCCO5)OC1=O 1 1.84 3 7 0 -15.1061745765412 5308244 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)N3CCC4=CC=CC=C4C3 1 1.629 3 4 0 -5.31933084404074 5308243 CCOC1=C(C=C(C=C1)CCNC2=CC(=NC3=NC=NN23)C)OCC 1 3.44 5 2 0 -15.1131373220778 5308242 CC1=C(C=C(C=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4)CC5=CN=CC=C5)O3)F 1 1.233 3 3 0 1.00333676823305 5308241 C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C5=C(CCCC5)N=C4C=C3)C(=O)O 1 3.086 3 5 0 -19.3200505910942 5308239 CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=C(C=CC(=C3)OC)OC)C(=O)N 1 -0.264 5 4 0 -11.5071748160326 5308238 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NCCCOC 1 1.531 3 3 0 -9.11404485733219 5308236 CC1CCC2=NN(C=C2C1)CC(=O)N3CCCCCC3 1 2.891 3 1 -12.0725853083588 5308234 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C)C(=O)NCCN(CC)CC 1 1.037 4 4 0 -14.9763696874825 5308233 CCOC1=CC=C(C=C1)NC2CCN(CC2)C(=O)C 1 1.341 2 2 0 -7.05584298485685 5308232 CC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)N)C4=CC=CO4 1 1.699 5 1 0 -3.68868169272662 5308231 CC1=CC=CC(=C1)C2N3CCCC3C(=O)N2C4=CC=C(C=C4)F 1 4.052 2 1 -0.215876665395494 5308230 CN1CCN(CC1)CCCNC(=O)C2=CC3=C(S2)N(N=C3C4=CC=C(C=C4)Cl)C 1 3.488 5 1 -0.767740470995143 5308229 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C4=C(COC5=CC=CC=C54)C=N3 1 2.697 4 4 0 -20.5880159751321 5308228 CCC1=CC=C(C=C1)C2CC(N=C3N2NC(=N3)N)C4=CC=C(C=C4)OCC 1 3.846 5 1 0.162574506461984 5308226 CCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC(=C(C=C3)OC)OC)C)C 1 1.041 4 4 0 -20.2414400067981 5308225 CC1=NN=C2N1N=C(C=C2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 2.766 6 0 5.2462902293058 5308223 CC1CCCCN1CCNC(=O)C2=CC3=C(N2C)C4=CC=CC=C4N(C3=O)C 1 3.032 4 2 -7.53708934684595 5308221 C1=CC2=C(C(=O)N(C2=O)CC3=CC=CS3)N=C1 1 1.463 2 2 0 -6.5582180971628e-002 5308220 CC1=CC=CC(=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCC3CCCO3 1 1.354 2 4 0 5.27645888971255 5308219 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C)F 1 2.725 2 4 4.39410917142856e-002 5308218 C1CN(CC=C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CNC4=C(C(=O)C4=O)N5CCOCC5 1 1.997 3 4 0 -8.91482218133839 5308217 CC1=C(NC2=C1C(=O)CC(C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC=C 1 3.799 1 6 0 -18.466704862698 5308216 CC1CCC2=NN(C=C2C1)CC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.794 4 3 0 -12.6381851070494 5308215 CN1C2=C(C=C(S2)C(=O)N3CCOCC3)C(=N1)C4=CC(=CC=C4)OC 1 2.543 3 3 -3.56259382070884 5308212 CCOC(=O)CC1=CSC(=N1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CN3 1 1.5e-002 5 5 0 -11.528121552384 5308211 CCOC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)NC4=CN=CC=C4 1 1.866 4 3 0 -8.14291498056054 5308208 COC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.596 3 5 0 -17.7833154624725 5308207 CN(CC(=O)N1CCCCC1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 1.316 3 3 0 -13.1996639693751 5308206 CC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)N)C4=CC=C(C=C4)Cl 1 3.075 5 0 3.1849013904729 5308204 COC1=CC=C(C=C1)C2N3CCCC3C(=O)N2C4=CC(=CC=C4)Cl 1 4.008 2 2 0.952561543088205 5308203 CC1=CC(=NC=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC5=C(C=C4)OCCO5 1 3.891 3 3 -10.4970453137541 5308201 COC1=CC=CC(=C1)C2CC(N=C3N2NC(=N3)N)C4=CC=CC=C4 1 2.555 5 1 1.83832076482834 5308200 CN1C=CC=C1CC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=CC=CC=C4 1 4.452 5 1 -16.6022673771706 5308198 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=C4C(=CC=C3)CN(C4=O)CCOC 1 2.882 3 3 -8.20977020251052 5308197 COC1=CC(=CC(=C1)NC(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)SC)N)OC 1 2.696 5 3 0 -14.9060096520319 5308196 CC1=CC=CC=C1C2CC(N=C3N2NC(=N3)N)C4=CC(=CC=C4)OC 1 3.041 5 1 2.17458200870253e-002 5308195 CC1=NN(C(=C1)C2=CC=CO2)CC(=O)NCCCC3=CC=CC=C3 1 3.388 3 2 -14.9336144567672 5308194 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC=CN4C 1 4.785 5 2 0 -17.5274083731247 5308192 C1CN(C2=CC=CC=C21)C(=O)C3=C4C=CC=CN4N=C3 1 2.123 3 1 -10.5932116183789 5308191 CCCN1C2=CC=CC=C2N=C1CNC3=CC=C(C=C3)Br 1 4.757 3 0 0.176697130214839 5308189 CC1=CC=CC=C1C2CC(N=C3N2NC(=N3)N)C4=CC=C(C=C4)OC 1 3.041 5 1 -1.51064076731215 5308187 C1COCCN1C(=O)C2=CC3=C(C=C2)C(N(C3=O)CC4=CC=CO4)O 1 0.524 2 5 0 -11.0572522593716 5308186 CC1=CC=CC=C1N2C(C3=CC=CC=C3C2=O)NC4=CN=CC=C4 1 3.566 3 1 -5.2940031018844 5308185 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1.682 5 4 0 -17.6727082157525 5307754 COC1=CC=C(C=C1)C2N3CCCC3C(=O)N2C4=CC=C(C=C4)Cl 1 4.008 2 2 -0.913483898480523 5307753 CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.859 3 4 0 -14.2375375450227 5307752 CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O 1 3.498 5 2 0 -16.8879558041198 5307751 CCC(C)NC(=O)C1=NOC(=C1)CC(C)C 1 2.691 2 2 -12.6080033083437 5307750 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CN3C4=CC=CC=C4SC3=O 1 3.503 5 3 0 -13.8004071496962 5307749 CCOC(=O)N1CCN(CC1)CC(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 1.185 3 4 0 -13.836706274198 5307748 CC1=CC=C(C=C1)C2CC(N3C(=N2)N=CN3)C4=CC=C(C=C4)OC 1 2.526 4 1 2.09399977207991 5307747 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)N3CCN(CC3)C4=CC=CC=N4 1 0.988 5 4 0 -2.12312372296136 5307746 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=C(OC(=N3)C4=CC=CC=C4C)C 1 2.667 4 4 0 10.5863119139722 5307745 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN4C3=NC5=CC=CC=C54)OC1=O 1 2.377 4 6 0 -13.0723728603072 5307743 CC(CCC1=CC=CC=C1)NC(=O)C2=NN=C(O2)CC3=CC=C(C=C3)F 1 3.722 3 2 -10.415919544579 5307742 C1=COC(=C1)CNC(=O)C2=NN=C(O2)CC3=CC=C(C=C3)F 1 1.749 3 3 0 -11.7055755576999 5307741 CCC1=CC=C(C=C1)C2CC(N3C(=N2)N=CN3)C4=CC=CC=C4 1 2.998 4 0 1.96595821994893 5307740 CC1=CC=CC=C1NC(=O)NCCN2C(=O)C3C4CC(C3C2=O)C=C4 1 1.361 3 3 0 -11.9467451652586 5307739 CCC1=NN(C(=O)C2=CC3=C(N21)C=CS3)CC(=O)NCCCN4CCC5=CC=CC=C5C4 1 3.414 5 2 0 -15.7913486701569 5307735 CC(C)SC1=NN=C(N1C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O 1 4.837 4 1 -4.29118401428243 5307734 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3N4CCN(CC4)C 1 1.838 4 3 0 -10.5346328098748 5307733 COC1=CC=C(C=C1)C2N3CCCC3C(=O)N2C4=CC=C(C=C4)OC 1 3.327 2 3 -3.56180153128489 5307731 CCOCCCNC(=O)CC1C(=O)NC2=C(O1)C=CC(=C2)C 1 0.829 2 4 0 -21.4488163002659 5307730 COCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=C(C=C2)OC 1 1.473 1 6 0 -15.8890233018029 5307729 C1CC2C(=O)N(C(N2C1)C3=CN=CC=C3)C4=CC(=CC=C4)Cl 1 2.874 3 1 1.33827253291564 5307726 CC1=C(C(=CC=C1)NC(=O)C2=C(N=C(O2)C)C)C 1 2.319 2 2 -3.190041917167 5307725 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CN3C4=CC=CC=C4SC3=O 1 3.657 5 2 0 -12.6212177888441 5307724 CCOC1=CC=C(C=C1)N(CC(=O)NC2CCCC2)S(=O)(=O)C3=C(ON=C3C)C 1 2.2 3 5 0 -17.3530744804632 5307723 CN1C(=O)CSC2=C1C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)OC)OC 1 2.044 3 4 0 -13.0461476271093 5307722 C1COCCN1C2=CC=CC=C2NC3=NC4=CC=CC=C4N5C3=NN=C5 1 2.542 6 1 0 1.22744959556539 5307721 CCCC1=CC(=NO1)C(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 3.397 2 4 -13.2404480876184 5307720 CCCN1CCN(CC1)CCCNC(=O)CN2C=C3CCCCC3=N2 1 2.09 5 1 -13.3743928435602 5307718 CC1(CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)O)C 1 0.68 1 5 0 -9.78925697818075 5307717 CC12C3CC(C1C(=O)N(C2=O)C4=CC=CC5=C4N=CC=C5)C=C3 1 2.29 2 2 3.50867606778372e-002 5307716 CCN1C2=C(C=C(C=C2)NC3=CC(=NC4=NC=NN34)C)C5=CC=CC=C51 1 4.66 6 0 -5.93454100002808 5307715 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C3CC(CCC3=N2)C 1 3.092 3 3 -13.0728794837734 5307714 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCCC3 1 2.271 1 5 -11.1903204596963 5307713 CCOC(=O)N1CCC(CC1)NC(=O)CN2C(=O)CSC3=C2C=CC=N3 1 0.194 4 4 0 -15.6866759902901 5307712 COC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3SC2=O)OC 1 2.707 2 4 -8.23781349770679 5307711 CC1=C(C(N2C(=N1)N=C(N2)C3=CC=CC=C3Cl)C4=C(C=C(C=C4)OC)OC)C(=O)N 1 2.167 5 3 0 -9.71885310071144 5307710 CCN1CCN(CC1)C(=O)CSCC2=C(OC(=N2)C3=CC(=C(C=C3)OC)OC)C 1 2.1 3 4 0 -0.590848400382068 5307709 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)CC(=O)NCC3CCCO3 1 0.852 2 5 0 2.14569294457198 5307704 CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)NC3=CC(=C(C=C3)C)C 1 2.864 2 4 -5.16221232070911 5307703 CCCCNC(=O)C1=CC2=C(S1)N(N=C2C3=CC=C(C=C3)Cl)C 1 4.659 3 1 -5.06812721939788 5307702 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C3CCCCC3)C(=O)NCCOC 1 1.579 3 5 0 -17.2610829819653 5307701 CC1=C(C(=NO1)C)S(=O)(=O)N(CC(=O)N2CCC(=CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OC 1 2.741 3 5 0 -15.1854772130936 5307700 COC1=CC(=C(C=C1)C2=NN(C(=C2)N)S(=O)(=O)CC3=CC=CC=C3)OC 1 2.93 3 4 0 -4.3905971109299 5307699 C1=CC=C(C(=C1)CN2C3=C(C=CC(=C3)C(=O)O)S(=O)C4=CC=CC=C4C2=O)F 1 3.416 1 4 -4.17822211686927 5307696 C1CCC(CC1)NC(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O 1 2.123 4 2 -12.9929847831237 5307695 COC1=CC=CC(=C1)C2=NOC(C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.271 3 5 0 -7.25025628103089 5307694 CCOC(=O)N1CCC(CC1)N2C(C3=C(C2=O)C=C(C=C3)C(=O)NC4CCCCC4)O 1 2.086 3 5 0 -13.3632990547007 5307693 CCC(C)[C@@H](C(=O)NC1=CC(=C(C=C1)OC)OC)N2CC3=CC=CC=C3C2=O 1 3.384 2 4 -18.23931888676 5307692 CCCS(=O)(=O)N1C(=CC(=N1)C2=C(C=C(C=C2)OC)OC)N 1 2.219 3 4 0 -6.52529649118242 5307690 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)CC(=O)NCCOC 1 0.362 2 5 0 3.68127733390375 5307685 CN1C2=C(C=C(S2)C(=O)NC3CC3)C(=N1)C4=CC=C(C=C4)Cl 1 3.82 3 1 -2.99253801495118 5307684 CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCOCC3)CN4C5=CC=CC=C5SC4=O 1 3.55 5 3 0 -17.1554323616505 5307683 COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)N4CCN(CC4)C5=NN=C(C=C5)N6CCOCC6 1 3.291 5 3 0 -4.96477432929419 5307682 CC1=CC2=C(C=C1)OC(=O)C3=C2N(N=C3)CC(=O)NC(CCSC)C(=O)OC 1 1.956 3 5 0 -24.2095748391598 5307681 C1=CC(=CC=C1CCNC(=O)C2=NN=C(O2)CC3=CC=C(C=C3)Cl)Cl 1 4.012 3 2 -8.96006857815555 5307680 C1C(OC2=CC=CC=C2O1)CNC(=O)CN3C4=C(C=N3)C(=O)OC5=CC=CC=C54 1 2.414 3 5 0 -18.1256838201532 5307679 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=CN=CC=C2 1 1.409 2 3 0 -14.305363524837 5307678 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CN=CC=C4 1 2.299 4 3 0 -10.7013371897643 5307677 CCC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)N)C4=CC(=CC=C4)Cl 1 3.532 5 0 2.79531594056574 5307676 C1CCCC(CCC1)NC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCC4 1 3.409 3 3 -10.1076093003589 5307673 CC1=C(SC=C1)C2C3=C(CC(CC3=O)(C)C)N=C4N2NC=N4 1 2.321 4 1 -12.4200994257785 5307672 C1=CC(=CC(=C1)F)NS(=O)(=O)C2=COC(=C2)C(=O)N 1 0.92 2 4 0 -0.917114252257691 5307671 CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2NC4=CC=C(C=C4)CC(=O)O)C 1 3.604 5 2 0 -7.46600216233228 5307670 CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CC=C3 1 -2.6e-002 4 5 0 -20.4314734333961 5307669 CC1=CC2=C(C=C1)OC(=O)C3=C2N(N=C3)CC(=O)NCCC(C)C 1 3.018 3 3 -19.9219873943207 5307666 CC1=CC=CC=C1C2CC(N=C3N2NC(=N3)N)C4=CC=C(C=C4)F 1 3.263 5 0 -0.385797532702754 5307664 CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)O)C4CCCC4 1 2.715 2 3 -4.5598752659647 5307663 CCN1CCCC1CNC(=O)C2=CC3=C(N2C)C4=CC=CC=C4N(C3=O)C 1 2.576 4 2 -10.6488557536992 5307662 CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)(=O)CC(=O)NCCN3CCOCC3 1 0.918 3 5 0 -1.11214028141607 5307661 CC1=C(C=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)OC)Cl 1 4.979 3 2 -9.26294502486613 5307659 CC1=C(C=C(C=C1)Cl)NC(=O)CN2C=C3CCCCC3=N2 1 3.787 3 1 -6.26474422351319 5307658 CC1=NC2=NC(=NN2C(=C1)N3CCN(CC3)C(=O)C4=CC=CO4)C 1 1.456 6 2 0 -7.31449282825994 5307653 C1CCN(C1)C(=O)C2=NN3C=CC=CC3=C2 1 1.361 3 1 0 -6.30504638724402 5307652 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=NOC(=C2)C3=CC(=CC=C3)O 1 3.015 2 6 0 -5.57328278324166 5307650 CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCC4=CC=CC=C34 1 2.233 4 3 0 -14.4580346195519 5307649 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC(=O)NC3=C(C=C(C=C3)F)F)CC4CCCO4)OC 1 2.349 3 6 0 -16.7500216598454 5307648 CCC(C)N(CCNC(=O)CC1C(=O)NC2=CC=CC=C2O1)C3CCCCC3 1 3.31 3 3 -18.1861497921568 5307647 CC1=NN2C(=O)C=C(N=C2S1)CSC3=NC4=CC=CC=C4N3 1 2.912 5 1 -10.8595570070182 5307645 CC1=C(C(N2C(=N1)N=C(N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4Cl)C(=O)N 1 2.184 5 2 0 -10.8887760245776 5307644 C1CCC(C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4 1 1.474 3 4 0 -22.7569227153025 5307642 CCOCCCNC(=O)CN1C=C2CCCCCC2=N1 1 1.796 3 2 0 -18.8659108983498 5307641 C1=CC=C(C(=C1)C2=NN=C(O2)CC3=CC=C(C=C3)Cl)Br 1 4.501 2 1 -4.05138519206766 5307640 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)CC(=O)NC3CCCC3 1 1.895 2 4 0 9.59653203267783 5307639 CCOC(=O)CN1CC23C=CC(O2)C(C3C1=O)C(=O)NCC4=CC=C(C=C4)F 1 0.376 2 5 0 -7.2806732649621 5307638 COC1=CC=CC(=C1)NC(=O)CN2C=C3CCCCCC3=N2 1 3.076 3 2 -7.10017575501275 5307637 COC1=CC(=CC(=C1)NC(=O)CN2CC(CC2=O)C3=CC=CC=C3)OC 1 1.79 2 4 0 -12.0510787172278 5307636 CCOC1=CC=CC=C1C2C(=C(N=C3N2NC(=N3)CCCO)C)C(=O)NC4=CC=C(C=C4)OC 1 2.514 5 4 0 -16.3071050487423 5307635 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C)C(=O)NCCC3=CCCCC3 1 2.528 3 4 0 -17.7345874222988 5307634 CC(C)C1=CC=C(C=C1)C2CC(N=C3N2NC(=N3)N)C4=CC(=CC=C4)OC 1 3.749 5 1 3.01396106008172 5307633 CC1=NN(C(=C1)NC(=O)C2CC(=NO2)C3=CC=C(C=C3)F)C4=CC=CC=C4 1 3.221 4 2 -9.04518144320884 5307632 CCCCN(CC)CCNC(=O)C1=CC2=C(N1C)C3=CC=CC=C3N(C2=O)C 1 3.415 4 2 -6.49210708278464 5307631 CCCNC(=O)CS(=O)(=O)CC1=C(OC(=N1)C2=CC(=CC=C2)OC)C 1 1.461 2 5 0 1.6293404717457 5307630 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C)C(=O)NCCCOC 1 0.132 3 5 0 -18.6884122984819 5307629 CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC=CC=C3 1 1.666 4 3 0 -15.6081130830617 5307628 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NC4CC4 1 2.089 3 2 -6.05026806197373 5307627 COC1=CC=CC(=C1)C2CC(N3C(=N2)N=C(N3)N)C4=CC(=CC=C4)Br 1 2.657 5 1 2.25777776037076 5307626 C1OC2=C(O1)C=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=CO5 1 3.187 2 4 -8.52666941987102 5307624 CCOC(=O)CN1CC23C=CC(O2)C(C3C1=O)C(=O)NC4CCCC4 1 -1.1e-002 2 5 0 -7.0602774756913 5307623 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.451 2 5 0 -6.39938687170109 5307622 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)N4C=CC=C4 1 4.048 3 2 -2.74490080695663 5307620 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=CC=CC=C4F 1 2.73 3 3 -12.9004605269072 5307619 CC1=NOC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCCC3)/C=C/N(C)C 1 1.657 4 4 0 -13.11721423449 5307618 CCOC(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2C4=CN=CC=C4 1 3.284 3 3 -11.7411392707726 5307617 CC1=NN(C(=C1)C(=O)N2CCOCC2)C3=CC=CC=C3 1 1.732 3 2 0 -7.84037885888112 5307616 CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CN3)Br 1 1.585 4 3 0 -4.30327248588507 5307615 CC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)N)C4=CC(=CC=C4)Br 1 3.159 5 0 1.83628604866527 5307614 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CS(=O)CC(=O)NCCOC 1 1.043 2 4 0 5.74746938472528 5307613 CCCN(CCC)CCNC(=O)C1=CC2=C(N1C)C3=CC=CC=C3N(C2=O)C 1 3.483 4 2 -6.0967952029347 5307612 C/C=C/COC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C 1 3.435 1 4 -13.6714408604565 5307611 CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCC3COC4=CC=CC=C4O3 1 1.835 2 5 0 -11.6479013603737 5307610 CCC1=CC(=CC=C1)NC2=CC(=NC3=NC(=NN23)C)C 1 3.51 5 0 -4.30328300995732 5307609 C1CN(CC2=CC=CC=C21)C(=O)CN3C4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)OC3=O 1 1.274 3 6 0 -25.1940666471437 5307608 CC1CCC2=NN(C=C2C1)CC(=O)NCCC3=CCCCC3 1 3.639 3 1 -17.600995483988 5286552 CCOC(=O)COC1=CC=CC=C1/C=C\[N+](=O)[O-] 1 1.849 1 5 0 -0.658377320641147 5286516 CC\1=NC2=CC=CC=C2/C1=C/NNC(=O)NC3=CC=CC=C3 1 1.67 4 1 0 -3.95001110853217 5286500 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64 1 6.029 5 1 -7.00875085708801 5286496 C1=C/C(=C/NNC(=O)CNC(=O)C2=CC=C(C=C2)Br)/N=C1 1 0.185 4 2 0 -10.7840567477753 5286490 C1=CC(=CC(=C1)Br)C(=O)NCC(=O)NN/C=C\2/C=CC=N2 1 0.185 4 2 0 -10.7075253787379 5307602 CC1=NC2=NC(=NN2C(=C1)NC3=CC(=CC=C3)F)C 1 2.773 5 0 -3.36162252687111 5307600 CCN(CCN(C)C)C(=O)CN1C2=C(COC3=C2C=C(C=C3)C)C=N1 1 2.266 4 2 -12.1264758625846 5307599 CC(=O)OC1C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3Cl 1 3.284 1 3 -6.74737379374336 5307598 CC1=CC(=C(C=C1)OC)NC2=CC(=NC3=NC(=NN23)C)C 1 3.037 5 1 -7.0430246742286 5307597 CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NC4=NOC(=C4)C 1 3.025 3 3 -14.4266504857162 5307596 CN(CC(=O)NC1CCCCC1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.051 3 3 -15.2381859423212 5307593 C1CC(N(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)N4CCC5=CC=CC=C54 1 2.646 3 3 -18.6711126273902 5307592 COC1=CC=C(C=C1)C2CC(N=C3N2NC(=N3)N)C4=CC=C(C=C4)F 1 2.76 5 1 1.66181351620719 5307590 CCCSCCCNC(=O)CC1C(=O)NC2=CC=CC=C2O1 1 1.612 2 3 0 -22.4279668266023 5307589 CC1CCN(CC1)CC(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 2.146 2 2 -14.4059492747283 5307588 C1CN(CCC1C(=O)N2CCN3C2=NC4=CC=CC=C43)S(=O)(=O)C5=CC=CC6=C5N=CC=C6 1 2.677 5 3 0 -15.8401580731565 5307587 COC1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3O2 1 1.623 2 4 0 -11.5398584268034 5307586 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=N3)OC1=O 1 1.161 3 6 0 -11.0721855303996 5307585 CN(CCCOC)C1CCN(CC1)C(=O)NC2=CC=C(C=C2)F 1 1.4 3 2 0 -8.68417669522 5307584 CCCSC1=NN=C(N1C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O 1 4.983 4 1 -7.87969952490922 5307582 C1CN(CCN1CCCNC2=NN3C(=NN=C3C4=CC=CC=C4)C=C2)CC5=CC=CC=C5 1 3.395 7 0 0 0.547168494974596 5307581 COC1=CC=CC(=C1)C2CC(N3C(=N2)N=CN3)C4=CC=CC=C4 1 2.04 4 1 3.09309887930978 5307580 CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)NC3=CC=CC(=C3)C 1 2.378 2 4 -3.02665195273986 5307578 CCCC1=CC(=NO1)C(=O)NC2=CN=CC=C2 1 1.615 3 2 0 -7.71752954626381 5307577 CC1=NOC(=C1Cl)C(=O)NC2=CC=CC=C2SC 1 2.849 2 2 -7.93464523484687 5307576 CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCCC3)CN4C5=CC=CC=C5SC4=O 1 4.323 5 2 0 -15.2326673977069 5307575 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC)C 1 1.259 2 3 0 -11.879311716872 5307574 CC1=CC(=CC=C1)CCNC(=O)C2=NN=C(O2)CC3=CC=C(C=C3)Cl 1 3.833 3 2 -6.59312084208549 5307573 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC3=CC=CO3)OC1=O 1 1.484 2 7 0 -13.3945324101433 5307572 CC1=C(C(=NO1)C)S(=O)(=O)N(CC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)C(C)C 1 3.022 3 6 0 -17.717539959386 5307571 CCOC1=CC=CC=C1NC2C3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)C 1 4.438 3 2 -8.42301631524855 5307570 CCCC1=CC(=NO1)C(=O)NC2CCCCC2 1 3.047 2 2 -9.29740793765795 5307568 CN1CCN(CC1)C(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCC4)CC=C 1 1.093 4 4 0 -20.622235118779 5307567 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NC3CCCC4=CC=CC=C34 1 2.501 2 4 -5.55812717760504 5307564 CC1=CC=C(C=C1)NC(=O)NCCN2C(=O)C3C4CC(C3C2=O)C=C4 1 1.361 3 3 0 -8.25481356433726 5307562 CC1=C(C=CC(=C1)S(=O)(=O)N2C(=CC(=N2)C3=CC=CC=C3OC)N)F 1 3.631 3 3 -5.95405723418237 5307561 C1COCCN1C(=O)NCCN2C(=O)C3C4CC(C3C2=O)C=C4 1 -0.808 3 4 0 -12.8682828249576 5307560 C1CN(CCN1C2=NC=CC=N2)C(=O)C(CC3=CC=CC=C3)N4C=CC=C4 1 2.187 5 1 -2.95233731190213 5307559 COCCNC(=O)CN1C(=O)CSC2=C1C=CC=N2 1 -0.299 3 3 0 -18.8943521784442 5307558 CNC(=O)C1=NN=C(O1)CC2=CC=C(C=C2)F 1 0.984 3 2 0 -9.40934744185647 5307557 CC1=C(C(=NO1)C)S(=O)(=O)N(CC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C(C)C 1 3.004 3 6 0 -16.2722388058176 5307556 CC1=CC(=CC=C1)N(C)C(=O)COC2=CC(=O)N(C3=CC=CC=C32)C 1 2.474 2 3 -4.07589655949601 5307554 CCOC1=C(C=C(C=C1)C2N3CCCC3C(=O)N2C4=CC=C(C=C4)Cl)OC 1 4.341 2 3 -6.68133795314515 5307553 C1COCCN1C(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br 1 2.262 1 5 -12.3347802690105 5307551 COC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCCN3CCCCCC3 1 3.116 2 5 0 -13.9960786751037 5307550 CCOC1=CC=C(C=C1)N(CC(=O)NC2CCCCC2)S(=O)(=O)C3=C(ON=C3C)C 1 2.656 3 5 0 -17.7075429946313 5307549 COC1=CC=C(C=C1)N2C(N3CCCC3C2=O)C4=CC=CS4 1 3.303 2 2 -5.42135937787152 5307548 C1CC(OC1)CNC2=NC3=CC=CC=C3N4C2=NN=N4 1 0.47 6 1 0 -11.073816078484 5307547 CCN(CCCNS(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)C3=CC=CC(=C3)C 1 2.85 3 3 -16.2400979477509 5307545 CCOC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)NC3=CC(=CC(=C3)OC)OC)N 1 2.486 5 4 0 -18.3099079680721 5307543 CC1=CC=CC=C1NC(=O)C2=C(N=CO2)C 1 1.572 2 2 0 -15.1067610783396 5307542 CC1=C(C(N2C(=N1)N=CN2)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)C 1 2.088 4 2 -12.5499950788036 5307541 CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CC4=C(C=C3)OCCO4)O 1 3.787 0 7 0 -2.5639266011369 5307540 CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)CN3C4=CC=CC=C4SC3=O 1 3.503 5 3 0 -17.1145962822917 5307539 CCOC1=C(C=C(C=C1)C2N3CCCC3C(=O)N2C4=CC=C(C=C4)OC)OC 1 3.66 2 4 -8.74753000396668 5307538 C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)S(=O)CC(=O)N3CC4=CC=CC=C4 1 1.422 2 4 0 -15.6492597604351 5307537 CN1C(=NN=C1SCC(=O)NCC2CCCO2)CN3C4=CC=CC=C4SC3=O 1 1.953 5 3 0 -21.0792044468134 5307536 C1CCC(CC1)NC2=NC3=CC=CC=C3N4C2=NN=C4 1 2.974 5 0 -1.02028695961273 5307535 C1C(=O)N(C2=C(S1=O)C=CC(=C2)C(=O)NCCC3=CC=CC=C3)CC4=CC=CC=C4 1 2.968 2 3 -11.6293348478176 5307534 CC1=CC2=C(C=C1)OC(C(=O)N2)CC(=O)O 1 0.971 1 4 0 -10.105697506541 5307533 CC(C)CC1=CC(=NO1)C(=O)NC2=C(C=CC(=C2)Cl)Cl 1 4.346 2 2 -3.42868820417142 5307532 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)N3CCC(CC3)N4CCCCC4 1 0.999 4 4 0 -5.42144915722139e-002 5307531 CCCC1=CC(=NO1)C(=O)NCCC2=CC=CC=C2 1 3.094 2 2 -10.4820915246525 5307529 CCN(CCNC(=O)CN1C=C2CCCCC2=N1)C3=CC=CC=C3 1 3.219 4 1 -14.6387625166032 5307528 CC1=CC(=NO1)NC(=O)C2CC(=NO2)C3=CC=C(C=C3)F 1 1.726 3 3 0 -12.3529729550038 5307526 C1CC(CN(C1)S(=O)(=O)C2=CN=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4 1 0.974 3 5 0 -17.6919574675748 5307525 CCC1CCCCN1CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 2.414 3 4 0 -6.34100653521021 5307524 CCOC1=CC=CC=C1C2C(=C(NC(=O)N2)CS(=O)(=O)C3=CC=CC=C3)C(=O)OCC 1 2.572 2 6 0 -30.9230820546802 5307523 CC1CCC2=NN(C=C2C1)CC(=O)NCCCN3CCOCC3 1 1.2 4 2 0 -17.7081126679309 5307521 COC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CN3 1 0.205 4 5 0 -7.53656719590186 5307520 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CN=CN3 1 1.738 4 2 0 -2.28511460818946 5307519 CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C4CCCN4C3=O 1 2.561 3 2 -15.4685914673579 5307516 C1CCS(=O)(=O)N(C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NN=C(C=C4)N5CCOCC5 1 0.521 6 4 0 -8.36521202899379 5307515 CCCN1C(C2=C(C1=O)C=C(C=C2)C(=O)NC3CCCCCC3)O 1 3.052 2 3 -11.6079883758051 5307514 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CN=CN3)C 1 1.56 4 2 0 -1.02069441793236 5307513 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=C(C=C3)F 1 3.393 1 5 -12.2631716813884 5307512 CC(C)NC(=O)C1=CC2=C(S1)N(N=C2C3=CC=C(C=C3)Cl)C 1 4.056 3 1 -6.80091275158869 5307511 COC(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4F 1 3.641 1 4 -6.17374808332462 5307509 CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)N3CCC4=CC=CC=C4C3 1 2.231 2 4 -8.59924680592662 5307507 COC1=CC2=NC3=C(C=C2C=C1)C(=NN3C(=O)CC4=CC=CC=C4OC)N 1 3.308 4 3 0 -3.99759420115414 5307506 COC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)N)C4=CC(=CC=C4)Cl 1 2.573 5 1 2.62178786720069 5307505 C1=CC=C2C(=C1)N=C(C3=NN=NN23)NC4=C(C=C(C=C4)Br)F 1 2.641 6 0 -1.90905631318307 5307503 COC1=CC(=C(C=C1NS(=O)(=O)C2=COC(=C2)C(=O)N)Cl)OC 1 1.346 2 6 0 -6.53999381998842 5307501 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)CC(=O)NCCC3=CCCCC3 1 2.82 2 4 3.8327171853238 5307500 CCOC1=CC=CC=C1NC(=O)C2=C3C(=CC=C2)CN(C3=O)CCOC 1 1.983 2 4 0 -14.9873905471757 5307499 CN1C2=C(C=C(C=C2)S(=O)(=O)NC(C3=CC=CC=C3)C(=O)NC4=CN=CC=C4)C(=O)N(C1=O)C 1 1.092 5 5 0 -25.8468087503004 5307498 C1=CC=C2C(=C1)C(=O)N(C(=O)N2CC(=O)NC3=CC(=CC=C3)Cl)CC4=CC=CO4 1 3.042 3 4 0 -6.25665028993777 5307496 CCOC1=CC=C(C=C1)CN2C(=O)CCC2(C)C(=O)NCC3=CN=CC=C3 1 1.69 3 3 0 -9.92822778617084 5307495 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.331 4 2 5.31617681885772 5307494 CN(CC(=O)N1CCC2=CC=CC=C21)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.05 3 3 -16.3799389395346 5307493 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(S2)N(N=C3C4=CC=C(C=C4)Cl)C 1 3.692 4 3 0 -4.50113624922986 5307492 COC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)N)C4=C(C=CC=C4Cl)Cl 1 3.237 5 1 -1.83089426912934 5307491 CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCCC3 1 1.492 4 3 0 -15.2790938151663 5307490 C1CC2=CC=CC=C2N(C1)C(=O)C3=C4C=CC=CN4N=C3 1 2.579 3 1 -9.06384129147066 5307489 COC1=CC=C(C=C1)CN2CC34C=CC(O3)C(C4C2=O)C(=O)O 1 0.52 1 5 0 -1.24782536132516 5307487 C1=CC=C(C=C1)C2=NN(C3=CC=CC=C32)CCCC(=O)O 1 3.677 2 2 -6.22890011831381 5307486 CC1CCCC(C1C)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)N4CCCC4 1 2.908 3 3 -7.84212332333192 5307484 CC1=C(C(=NN1C)C)S(=O)(=O)N(CC(=O)NCC2=CC=CO2)C3=CC=C(C=C3)C(C)C 1 2.62 4 4 0 -17.4257025871086 5307483 CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3 1 2.019 4 3 0 -14.4255277794658 5307481 CC1=C(N=C(O1)C2=CC=CC=C2F)CS(=O)(=O)CC(=O)N3CCOCC3 1 0.704 2 5 0 0.840400288144792 5307477 CC1CCN(CC1)C(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.254 3 3 -21.8336635835627 5307476 CC1=CC(=CC=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CN3 1 1.164 4 3 0 -10.7017527570145 5307475 C1COCCN1CCN2C(C3=CC=CC=C3C2=O)NC4=C(C=C(C=C4)F)F 1 2.891 3 2 -7.66220176432105 5307473 CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NC4=CC(=C(C=C4)OC)OC 1 3.143 3 4 0 -8.85255120148122 5307472 C1CCCC(CC1)NC(=O)CN2C=C3CCCCC3=N2 1 3.374 3 1 -10.2198220721971 5307471 CC1=C(C=C(C=C1)NC2=CC(=NC3=NC(=NN23)C)C)Br 1 3.802 5 0 -3.71491194818652 5307470 CC1=NC2=CC=CC=C2C3=C1C=C(O3)C(=O)N4CCN(CC4)C5CCCCC5 1 4.123 3 2 0.276724029874856 5307468 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=NN4C=CC=CC4=C3 1 3.502 4 1 -3.21027078060767 5307465 CC1=C(SC2=C1C(=O)N3C(=N2)C=CC(=N3)N4CCCC4)C 1 1.998 4 1 0 -8.3287508518874 5307462 C1CCC2=NN(C=C2C1)CC(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 2.754 4 1 -5.80518946404241 5307461 COC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CN3 1 0.334 4 4 0 -7.3451803346498 5307460 C1CCCC(CCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4 1 2.843 3 4 0 -23.1113912294706 5307459 CCN(CC)CCNC(=O)C1=CC2=C(N1C)C3=CC=CC=C3N(C2=O)C 1 2.435 4 2 -5.62030154953991 5307457 CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)(=O)CC(=O)NCCCOC 1 1.023 2 5 0 -2.56137164628075 5307455 C1CCC2=CN(N=C2CC1)CC(=O)NCC3=CC=CC=N3 1 2.164 4 1 -15.6375949679986 5307454 CCN1CCN(CC1)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 3.394 3 4 0 -10.5771659965828 5307453 CCCCC(CC)CNC(=O)C1=C(C(=C(N1)C)C(=O)C)C 1 3.811 2 2 -11.2283982751545 5307450 C1CCC2=CN(N=C2CC1)CC(=O)NCC3=CC=CS3 1 2.839 3 1 -16.2810932167279 5307449 CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=C(C=CC(=C3)OC)OC)C(=O)NC4=CC=C(C=C4)F 1 1.724 5 4 0 -13.4716842981706 5307448 CCN1CCN(CC1)CCCNC(=O)C2=CC3=C(N2CC)C=CS3 1 2.638 4 1 -5.91500966464082 5307447 CCC1=C(SC(=C1C#N)NC(=O)C2=NOC(=C2)C3CC3)C 1 3.153 3 2 -20.598805402357 5307446 COCCCNC(=O)CC1C(=O)NC2=CC=CC=C2O1 1 -6.e-003 2 4 0 -21.2806136209778 5307445 CN1C=CC=C1CC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4CCCC4 1 4.056 5 2 0 -20.6271228021842 5286407 CC1=CC=CC2=C(C(=O)N=C12)NNC3=CC=CC=C3 1 2.327 3 1 -5.01995260555221 5307442 C1CCCC(CC1)NC(=O)CC2C(=O)NC3=C(O2)C=CC(=C3)Cl 1 3.042 2 3 -13.4716858286466 5307439 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O 1 3.17 5 2 0 -12.9462849242298 5307437 CC1=CC=C(C=C1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(NN=C4C)C 1 2.286 4 5 0 -14.3513325841577 5307436 C1CCCN(CC1)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br 1 3.881 2 4 -12.0652655961597 5307435 CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)OC 1 1.272 4 4 0 -16.6374782057878 5307434 CN1C(=NN=C1SCC(=O)N)CN2C3=CC=CC=C3SC2=O 1 1.388 5 2 0 -11.0738081743896 5307433 CC1=CC=C(C=C1)CN2CCN(C2=O)CC(=O)N3CCC(CC3)C(=O)N 1 0.409 4 3 0 -12.8317160356391 5307432 C1C(N=C2N=C(NN2C1C3=CC(=CC=C3)Br)N)C4=CC=C(C=C4)F 1 2.879 5 0 2.54816307413053 5307431 CC1=C2C=CC=C(C2=NC=C1)N3C(=O)C4C5CC(C4(C3=O)C)C=C5 1 2.776 2 2 -4.91467211976983e-002 5307429 CN(CCNC(=O)CN1C2=CC=CC=C2SC1=O)CC3=CC=CC=C3 1 2.886 3 2 -4.79187124762916 5307428 CC1=CC2=C(C=C1)OCC3=C2N(N=C3)CC(=O)N(CCC#N)C4=CC=CC=C4 1 3.334 4 2 -10.0037959924275 5307426 CCN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3 1 2.902 4 1 -0.862963881061957 5307425 C1CCC(C1)N2C(CCC2=O)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4F 1 2.468 4 2 -9.09682036606751 5307424 C1CC2C(=O)N(C(N2C1)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl 1 4.23 2 1 0.211359336128868 5307423 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NCC3=CC=CC=N3 1 2.617 2 3 -10.4250820454505 5307421 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NCC4=CC=CO4 1 1.713 3 4 0 -21.6892313178995 5307420 CC1CCC2=NN(C=C2C1)CC(=O)NC3CCCC(C3C)C 1 3.741 3 1 -12.4714993426415 5307419 CC(C)N(CCCNC(=O)CC1C(=O)NC2=CC=CC=C2O1)CC3=CC=CC=C3 1 2.574 3 3 -17.4195574412022 5307418 COC1=CC=CC=C1C2CC(N=C3N2NC(=N3)N)C4=C(C=C(C=C4)Cl)Cl 1 3.883 5 1 1.48905897156575 5307417 CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CO3)C(=O)OCCOC 1 2.285 1 5 -15.8612412439337 5307416 C1=CC=C2C(=C1)N=C(C3=NN=CN23)NCC4=CC=CC=N4 1 1.763 6 0 0 3.65368699936211e-002 5307414 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)C 1 3.124 1 6 0 -15.7067649051695 5307412 CC1CCCN(C1)S(=O)(=O)C2=COC(=C2)C(=O)N 1 0.58 2 4 0 -13.0496990688974 5307411 CCCCC(CC)CNC(=O)C1CCCN(C1)S(=O)(=O)C2=CN=CN2 1 1.79 4 3 0 -13.5687332190605 5307410 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NOC(=C3)C4CC4 1 3.774 2 4 -23.7682913489844 5307409 CC1CCN(CC1)CCCNC(=O)C2=CC3=C(O2)C4=CC=CC=C4N=C3C 1 3.472 3 2 -8.08749551129251 5307408 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NOC(=C3)C4CC4 1 2.642 3 3 -10.5720947107268 5307406 C1CCC(CC1)N(CC2=CC=CO2)C(=O)CN3C4=C(COC5=CC=CC=C54)C=N3 1 3.916 3 3 -9.54936174567182 5307403 CN(CC(=O)NC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.434 3 3 -10.4869625551626 5307402 CCOC(=O)N1CCC(CC1)NC(=O)COC2=CC(=O)N(C3=CC=CC=C32)C 1 0.568 3 5 0 -9.30298628603505 5307401 CC1CCCCN1S(=O)(=O)C2=COC(=C2)C(=O)N 1 0.639 2 4 0 -10.647309774013 5307400 CC1=CC=C(O1)C2N3CCCC3C(=O)N2C4=CC(=CC=C4)Cl 1 3.571 2 2 -1.42272718381808 5307399 CCCC1=CC(=NO1)C(=O)NCC2=CC=CC=C2 1 2.772 2 2 -11.2070090848571 5307396 COC1=CC=C(C=C1)N2C(N3CCCC3C2=O)C4=CC(=CC=C4)Br 1 4.092 2 2 -2.50530211578756 5307395 CCOC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)N)C4=CC(=CC=C4)C 1 2.743 5 1 1.82167890359578 5307394 C1CCC2=C(C1)C(=NO2)C(=O)NCC3=CC(=CC=C3)F 1 3.092 2 2 -13.1711869299892 5307393 C1=CC=C2C(=C1)C(N(C2=O)C3=CN=CC=C3)O 1 1.083 2 2 0 -5.21558323852246 5307390 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CO3 1 2.369 1 6 0 -14.9159211206018 5307389 COC1=CC=CC(=C1OC)CNC(=O)CN2C3=CC=CC=C3OC2=O 1 2.156 2 5 0 -11.4595428795957 5307388 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=CC=NC=C4 1 1.374 4 3 0 -12.4842769489222 5307387 C1CS(=O)C2=CC=CC=C2N(C1=O)CC(=O)O 1 2.e-003 1 4 0 -10.0569310421447 5307386 CC1=NC2=NC=NN2C(=C1)NC3=CC=CC=C3F 1 2.818 5 0 -9.52518997092395 5307385 C1CC(=O)N(C1)CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4 1 0.364 5 3 0 -31.1368925622469 5307384 C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CS2)N3C=CC=C3 1 3.552 2 1 -9.91367476660305 5307383 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)OC 1 2.019 2 7 0 -11.7546754538779 5307381 CC1=C(N2C=CC=CC2=N1)/C(=C\3/C(N(C(=O)C3=O)CCCN(C)C)C4=CC=C(C=C4)F)/O 1 2.234 4 3 0 -6.73622196992785 5307380 CCCC1=CC(=NO1)C(=O)NC2=CC=C(C=C2)C 1 3.252 2 2 -7.12078540511802 5307379 CCOC1=C(C=C(C=C1)C2N3CCCC3C(=O)N2C4=C(C=CC(=C4)Cl)OC)OC 1 4.324 2 4 -5.92774506452101 5307377 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CN3C4=CC=CC=C4SC3=O 1 3.154 5 3 0 -13.0341839979882 5307376 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CSCC3=C(OC(=N3)C4=CC(=C(C=C4)OC)OC)C 1 4.287 3 4 0 -3.91381903111702 5307375 C1=CC=C(C(=C1)CN2C(C3=CC=CC=C3C2=O)O)Cl 1 2.905 1 2 -2.21604876726861 5307374 CC(C)CC1=CC(=NO1)C(=O)NC2=C(C=CC(=C2)Br)O 1 3.524 2 3 -0.706033373051224 5307372 C1CN(CCC1O)C(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4 1 1.929 1 4 0 -9.197062644664 5307371 C1C(N=C2N=C(NN2C1C3=CC=CC=C3Cl)N)C4=CC=C(C=C4)F 1 2.795 5 0 0.419942544256334 5307370 C1CC(C2=CC=CC=C2C1)NC(=O)C3CCN(CC3)C4=NN=C(S4)N5C=CC=C5 1 3.543 5 1 -3.09851129462605 5307369 C1=CC=C2C(=C1)C(N(C2=O)C3=CC=CC=N3)NC4=NC=C(C=C4)Cl 1 3.2 4 1 -3.58052470938915 5307368 CSC1=NN=C(N1C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O 1 4.111 4 1 -3.51757985479895 5307367 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)N3CCN(CC3)CC4=CC=CC=C4 1 1.979 3 4 0 -0.601977762018041 5307366 C1CN(CCN1C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)N5C2=NN=C5)C(=O)C6=CC=CO6 1 3.002 6 3 0 0.27774219683561 5307365 CN1CCN(CC1)C2=CC=CC=C2NC(=O)CC3=CN(C4=CC=CC=C43)C 1 3.268 4 1 -2.6145062265846 5307364 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C3=CC(=CC=C3)Br 1 4.371 3 2 -0.222701160271992 5307362 CCS(=O)(=O)N1C(=CC(=N1)C2=CC=CC=C2)N 1 1.728 3 2 0 -1.70707668326788 5307361 CN1C(=NN=C1SCC(=O)NCC2=CC=CO2)CN3C4=CC=CC=C4SC3=O 1 2.359 5 3 0 -18.7471623152609 5307357 COC1=CC=C(C=C1)C2CC(N=C3N2NC=N3)C4=CC=CC=C4 1 2.686 4 1 1.79243014658388 5307356 CC1=CC=CC=C1N2C(=NN=C2SC(C)C)CN3C4=CC=CC=C4SC3=O 1 5.323 4 1 -5.38628787548052 5307354 CC(CCC1=CC=CC=C1)NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4 1 3.817 5 1 -7.06017481433212 5307353 CC1=C(SC2=NC=NC(=C12)NCCCO)C 1 1.614 3 1 0 0.989014880052203 5307351 CCC1=C(SC(=C1C#N)NC(=O)C2=CC(=NO2)C)C 1 2.396 3 2 -13.8094434131123 5307350 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br 1 4.297 3 3 -7.76209958549507e-002 5307348 CC1CCCC(N1C2=NN=C(S2)N)C 1 1.313 4 0 0 -2.67764044775684 5307347 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C)C(=O)NCC3CCCO3 1 0.559 3 5 0 -19.5100789515068 5307346 CC1=C(C(=NC2=CC(=NN12)C3=CC(=CC(=C3)OC)OC)C)CCC(=O)O 1 2.703 3 4 0 -11.5336330641367 5307345 CC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)N)C4=CC(=CC=C4)Cl 1 3.075 5 0 3.03475407634483 5307343 C1C(C(NC1=O)C(=O)O)C2=CC=CC=C2 1 0.597 1 3 0 -5.38172587594388 5307342 C1CCC(CC1)N2CCN(CC2)CCCNC(=O)CN3C=C4CCCCC4=N3 1 3.076 5 1 -10.8653123120912 5307340 C1CCC2=C(C1)C(=NO2)C(=O)NC3=CN(N=C3)CC4=C(C=C(C=C4)Cl)Cl 1 4.442 4 2 -13.2270248181012 5307339 C1CN(CC2=CC=CC=C21)C(=O)CCC3=NC4=CC=CC=C4N3 1 2.894 3 1 -11.3931202842835 5307338 COC1=CC=CC2=C1OC3=NN(C(=O)C3=C2)C4=CC=CC=C4 1 2.89 2 3 -1.40957773909537 5307337 COCCCNC(=O)CN1C(=O)CSC2=C1C=CC=N2 1 -0.237 3 3 0 -19.5279643542979 5307336 CC1CCC2=NN(C=C2C1)CC(=O)NCCCN3CCCC3=O 1 1.027 4 2 0 -28.6860694254144 5307335 CC1=CN=C(C=C1)NC(=O)CN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C3=C(ON=C3C)C 1 2.889 4 4 0 -16.8088413371104 5307334 CCOCCCNC(=O)CN1C2=C(C=N1)C(=O)OC3=CC=CC=C32 1 1.231 3 4 0 -22.5290268347863 5307332 CCN(CC)CCCNC(=O)C1=CC2=C(N1C)C3=CC=CC=C3N(C2=O)C 1 2.498 4 2 -7.1783393248962 5307330 C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)O)S(=O)C4=CC=CC=C4C2=O 1 3.21 1 4 -3.30904692676585 5307329 CCCCCCSC1=CC(=NC2=NC=NN12)C 1 3.845 4 0 -11.5402608010682 5307328 CC1=C(C(=NN1C)C)S(=O)(=O)N(CC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C(C)C 1 3.2 4 5 0 -14.4101798187136 5307327 CCN(CC)CCCNC(=O)C1=CC2=C(S1)N(N=C2C3=CC=C(C=C3)Cl)C 1 4.229 4 1 -4.48146016618526 5307325 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)F)OC1=O 1 2.903 2 4 0.268170023951432 5307323 CCN(CC)CCCNC(=O)CC1C(=O)NC2=C(O1)C=CC(=C2)C 1 1.448 3 3 0 -18.0051988291001 5307322 CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)N3CCN(CC3)C4CCCCC4 1 2.389 3 4 0 -4.05375418585839 5307321 C1CCC2=NN(C=C2C1)CC(=O)N3CCC4=CC=CC=C43 1 2.917 3 1 -12.1281609565736 5307318 CC(=O)N1CCC(CC1)N(C2CCCC2)C(=O)NC3=CC=CC=C3OC 1 1.908 3 3 0 -8.60079748376799 5307317 CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N 1 -0.28 5 5 0 -13.1915431149752 5307316 C1CCN(CC1)C(=O)NCCN2C(=O)C3C4CC(C3C2=O)C=C4 1 0.421 3 3 0 -11.299986375182 5307315 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5 1 2.648 4 3 0 -14.4326694355205 5307312 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C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O 1 -0.395 0 15 0 -8.20726046424798 5281600 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O 1 4.509 0 10 0 9.33019300616093 5281571 C1=CC(=O)C(=C2C(=C1)C=C(C(=C2O)O)O)O 1 -0.327 0 5 0 -3.3162575231869 5281565 COC1=CC(=O)O[C@H](C1)/C=C/C2=CC=CC=C2 1 2.218 0 3 3.93130280213484e-002 5281542 C[C@@]1(C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)OC(=O)/C=C/C4=CC=CC=C4 1 -1.39 0 11 0 -13.738202284727 5281416 C1=CC(=O)OC2=CC(=C(C=C21)O)O 1 1.415 0 4 0 -1.4646239604547 5281404 CC1=NC=CC2=C1NC3=CC=CC=C23 1 2.455 2 0 3.07032378314937 5281371 C/C=C(/C)\C(=O)O[C@H]1[C@H](OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)/C(=C\C)/C 1 5.048 0 7 0 -7.91269136663019 5281295 C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O)O 1 2.41 0 5 5.03315157021217 5281239 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O 1 6.901 0 6 -3.95226044095474 5281098 CN(C/C=C/C1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32.Cl Cl- 1 4.863 1 0 11.3687001149115 5280961 C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O 1 2.14 0 5 6.27196681895361 5280960 C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2O)O)O)O 1 2.734 0 5 3.52487967040689 5280954 CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)/C=C/C6=CC(=C(C(=C6)OC)OC)OC 1 4.709 2 9 0 -12.0507006472007 5280939 CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O)O 1 3.428 0 5 -9.88105322619964 5280888 CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC(=O)CCCCC(=O)O)O)O)O 1 2.005 0 6 -10.7299691723758 5280880 CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O 1 4.21 0 4 -9.99672146703042 5280862 COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O 1 2.098 0 6 3.80340510231844 5280746 C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O 1 -0.929 0 14 0 -10.1580440338394 5280681 COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O 1 1.856 0 7 0 7.43123781815307 5280666 COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O 1 2.394 0 6 5.346878288473 5280567 CC1=CC(=O)OC2=C1C=CC(=C2)O 1 2.104 0 3 -0.284231974626208 5280489 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C 1 11.998 0 0 9.87343457062991 5280460 COC1=C(C=C2C(=C1)C=CC(=O)O2)O 1 1.641 0 4 0 -2.38214262489431 5280448 COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O 1 2.366 0 5 5.80001764122608 5280442 COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O 1 2.636 0 5 4.85198017438905 5280388 CCCCC[C@@H](/C=C/C1=C(C(=O)CC1)CCCCCCC(=O)O)O 1 4.834 0 4 -14.2374185337067 5280378 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O 1 2.608 0 4 3.96233681857309 5280372 COC1=C(C=CC(=C1)/C=C/CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 1 -0.495 0 8 0 -12.9311826207656 5275520 CC(=CCC/C(=C/C(=O)O)/C)C 1 3.168 0 2 -1.4799407384921 5274124 CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CO 1 2.084 2 1 3.16428416839362 5273622 COC1=CC(=O)OC(=C1)CCC2=CC3=C(C=C2)OCO3 1 2.305 0 5 -3.28123121463742 5271569 CCCCOC(=O)/C=C\C(=O)OCCCC 1 3.147 0 4 -4.63986416346831 5271119 CN1C2=CC=CC=C2C3=C1N=C(N=N3)NN 1 1.07 6 0 0 -4.21779467324134 5268333 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NC3=CC=C(C=C3)F 1 1.411 4 2 0 -10.2364792542829 5268164 C1CCCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.712 3 2 0 -11.1454325273388 5268161 C1CCN(C1)C2=NC=C(C=C2)S(=O)(=O)N3CCCC3 1 0.799 3 2 0 -10.7909640131707 5268063 C1CCN(C1)C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.6e-002 3 3 0 -13.3562290449305 5268018 CN(CC1=CC=CC=C1)C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.148 3 3 0 -14.0856728097536 5267960 CN1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCCCC3 1 0.752 4 2 0 -8.77310944163521 5267927 CCNC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2 1 0.937 3 2 0 -16.5148273985832 5267224 C1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CS3)NCC4=CN=CC=C4 1 3.613 3 3 -13.391884285658 5260656 CN(C)CC1=CN=C2N1C=C(C=C2)Cl 1 1.523 3 0 0 -3.58979946280495 5260651 COC1=C(C=CC(=C1)C2C3=CC4=C(C=C3NC5=C2C(=O)OC5)OCO4)OCC#C 1 3.794 1 6 0 -20.2024287538823 5260648 CC1=CC(=CN2C1=NC(=C2)C(=O)O)Br 1 1.863 2 2 0 -3.05898416039049 5260647 CC1=CC(=CN2C1=NC=C2)Br 1 1.805 2 0 0 7.58833159378292e-003 5260643 C1=CN2C=C(N=C2C(=C1)[N+](=O)[O-])C3=CC=C(C=C3)Br 1 3.16 3 2 0.372365560196841 5260641 COC1=CC=CC=C1C2C3=CC4=C(C=C3NC5=C2C(=O)OC5)OCO4 1 2.618 1 5 -13.5693431494696 5260640 C1=CC=C(C(=C1)C(=O)C2=CC=C(S2)Br)C(=O)O 1 3.385 0 3 -4.24137590325465 5260635 CCCC1=NC2=C(O1)C=CC(=C2)CC(=O)OC 1 2.629 1 3 -3.94666979705587 5260633 CCCC1=NC2=CC(=C(C=C2O1)[N+](=O)[O-])Cl 1 3.298 2 3 -2.872974490062 5260631 CCOC(=O)C1=CC=C(C=C1)CN2CC3=CC=CC=C3C2=O 1 2.785 1 3 -9.19874390499606 5260630 COC1=C(C(=C(C=C1)C(=O)NCCN2CCOCC2)OC)OC 1 0.815 2 5 0 -10.8938504616666 5260624 C1=CC=C2C=C3C(=CC2=C1)C(C(=C(O3)N)C#N)C4=CC=CS4 1 3.513 2 1 -4.67569331718112 5260621 C1=CC=C2C=C3C(=CC2=C1)C(C(=C(O3)N)C#N)C4=CN=CC=C4 1 2.619 3 1 -1.93654768654967 5260620 CC1=CC(=NN1)C2=CC=C(S2)Cl 1 2.778 2 0 4.33904130853836 5260619 CC(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C#C 1 1.963 2 2 0 0.190000023281157 5260611 COC(=O)C1=CC(=C(C=C1)N2CCOCC2)F 1 1.74 1 3 0 -4.10189192462546 5260607 C1C2=NC3=CC4=C(C=C3C(=C2C(=O)O1)C5=CC=C(C=C5)F)OCO4 1 3.332 1 4 3.25018826560114 5260606 C1COC2=C(O1)C=C3C(C4=C(COC4=O)NC3=C2)C5=CC=C(C=C5)F 1 2.857 1 4 -11.7288763746664 5260605 C1C2=C(C(C3=CC4=C(C=C3N2)OCO4)C5=CC=C(C=C5)F)C(=O)O1 1 2.84 1 4 -10.2835752210979 5260594 CC1=CC(=NC(=N1)N2C=C(N=N2)C3=CC(=CC=C3)N)C(F)(F)F 1 3.185 6 0 5.19388661545228 5260593 CCC1=NC(=C(N1)C#N)C#N 1 1.122 4 0 0 -3.70236660328961 5260591 CCCCC1=NC(=C(N1)C#N)C#N 1 2.035 4 0 -4.92173804668917 5260586 CC1=NNC(=O)N1C2=CC(=C(C=C2)OC)OC 1 0.959 3 3 0 -9.07819522823399 5258798 CC1(C(=O)N(C(=O)N1)CC(=O)N(C)CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C 1 3.325 3 3 -7.23687190982105 5258518 CC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)CC2)S(=O)(=O)NC3=CC=C(C=C3)SC(F)F 1 2.643 4 4 0 -19.8881575573432 5258493 CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C 1 3.441 3 3 -24.5993214545853 5258469 CCCOC1=C(C=C(C=C1)C2=NC3=C(N2CCO)C(=O)NC(=O)N3CC4=CC=CC=C4)OCC 1 3.851 4 5 0 -6.25920813244352 5258457 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)NC2=CC(=CC=C2)Cl 1 3.809 2 3 -8.33158051021674 5258445 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2CCCC3=CC=CC=C23 1 3.607 3 2 -19.036826481836 5258444 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 2.552 3 4 0 -18.2139986972768 5258412 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.214 3 8 0 -17.7373163238892 5258411 CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C 1 3.136 4 5 0 -12.7220458604866 5258364 CC(C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=CO2 1 1.263 2 5 0 -15.35254818549 5258333 C1C(CN(C1C(=O)OCC(=O)C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl)O 1 2.744 1 6 0 -11.3959386735126 5258283 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43 1 0.762 4 7 0 -32.6503419743992 5254288 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)F)F 1 0.654 5 5 0 -21.4746978474172 5253483 COC1=C(C=C(C=C1)C2=NC(=C(O2)NCCCN3C=CN=C3)C#N)OC 1 1.664 5 3 0 -1.3468241613551 5253468 C1C(OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-] 1 1.998 3 5 0 -8.39571828355339 5253467 CCC1=CC=C(C=C1)C2=NN=C(SC2)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.759 5 1 -11.8713290188121 5253364 COC1=CC=C(C=C1)N2C(=NNC2=S)CNC(=O)COC3=CC=C(C=C3)Cl 1 3.221 4 3 0 -11.3611338080959 5253314 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CS3)C(=O)CC4=CC=CS4 1 5.401 2 2 -21.207474974111 5253159 CC1=C(SC2=NC=NC(=C12)NCC3COC4=CC=CC=C4O3)C 1 3.554 3 2 -0.522911042001628 5253110 COC1=C(C=C(C=C1)NC(=O)CC2=CC=CC=C2F)S(=O)(=O)N3CCCCC3 1 2.872 2 4 -20.7785383987307 5253043 CC(=C)CNC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2 1 2.786 4 2 -17.2769574883143 5252965 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC2=CC=CC=N2)C3=CC(=C(C=C3)OC)OC 1 3.615 3 5 0 -23.5031522673417 5253017 COC1=C(C=C(C=C1)CC(=O)OCC(=O)NCC2=CC=CC=C2Cl)OC 1 2.995 1 5 -18.0166989323284 5253005 C[N+]1(CC2(CC=C(C(C2)(C1)[N+](=O)[O-])OC3=CC=CC=C3)[N+](=O)[O-])C 1 0.707 3 5 0 -1.79700990066378 5252984 CC1=CC(=CC=C1)OCC(=O)N(CC2=CC=C(C=C2)N(C)C)C3CCS(=O)(=O)C3 1 2.818 2 4 -14.9927365778591 5252940 CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C=CC=C4Cl)F 1 4.019 8 3 0 -25.5211081162734 5252901 CCOC(=O)C1C(N=C(NC1=O)C2=CC=CC=C2)C3=CC(=CC=C3)Br 1 3.557 2 3 -7.89099883548429 5252872 C1C(NC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=C(C=C4)Br 1 5.51 2 0 2.38435636239871 5252834 CC(C)CN1C2=C(N=C1C3=CC=C(C=C3)C#N)N(C(=O)NC2=O)CC(C)C 1 3.881 5 2 0 -9.42156686604274 5249998 CC1=NN=C(S1)SCC2=CC=CC=C2CSC3=NN=C(S3)C 1 3.549 4 0 -11.3959561304655 5244952 CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CC4=CC=CC=C4CC3C(=O)O)C5=CC=NC=C5 1 4.317 5 3 0 -11.8031677154313 5244883 CC1=NN=C(S1)NC(=O)CSC2=NN=C(S2)NC(=O)C(C)(C)C 1 1.425 6 2 0 -28.3951671702386 5244697 C1=CC=C2C(=C1)C(=CN2)CCN=C(N)NC(=O)C3=CC=C(C=C3)F 1 3.276 4 1 -5.82684355592421 5244497 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32)C 1 2.141 2 5 0 -16.0426842707375 5244466 CCOC(=O)C(=NNC1=CC=CC=C1Cl)N2CC(OC(C2)C)C 1 2.896 3 3 -7.42787580042816 5244463 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCOCC3 1 0.419 3 6 0 -21.9318002216166 5244453 CCN(CC)C(=S)SC(C)C(=O)C1=C(C=CC(=C1)Br)O 1 5.148 1 2 -1.49551475687816 5244385 C1C(OC(=O)N1CC2=C(C=CC=C2Cl)Cl)CCl 1 3.647 1 2 -4.6455226457039 5244146 CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C(=C(C(=O)O4)Cl)C 1 5.114 1 6 0 -15.2600203967976 5244145 CCN1C2=CC=CC=C2C(=C3C(=O)N4C(=C(C(N=C4S3)C5=CC=CC=C5)C(=O)OCC)C)C1=O 1 3.922 3 4 0 -11.0255583988098 5244141 C1C(N(N=C1C2=CC=C(C=C2)Cl)C(=O)COC(=O)C3=CC=CC=C3O)C4=CC=CO4 1 3.834 2 5 0 -9.72313562705672 5244138 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3 1 0.941 4 5 0 -13.2819195863121 5244001 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NCCC3=CC=CC=C3 1 3.118 2 3 -13.7556418986973 5243999 C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(O3)Br 1 3.509 1 3 -1.73701683154836 5243996 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)OC 1 2.851 2 5 0 -10.9489601313802 5243956 C1=CSC(=C1)C(=O)NN=CC2=CC=C(C=C2)N3C=CN=C3 1 2.306 4 1 -5.81409397339147 5243939 C1=CC(=CN=C1)C2=CC=NC3=NC(=NN23)N 1 0.811 6 0 0 -0.812557402219348 5243886 C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NCC5=CC=CC=C5 1 4.366 2 2 -18.7492217791419 5243837 CC1=CC=C(C=C1)CONC(=O)C2=CC=CC=C2Cl 1 3.618 1 2 -0.284609573642446 5243658 C1CN(CCN1C2=CC=CC=N2)C(=O)CCN3C(=O)C4C5CC(C4C3=O)C=C5 1 0.642 4 3 0 -7.43392176705756 5243594 CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCNC(=O)C 1 1.817 4 3 0 -27.9285972341713 5243548 CC1(CC(=O)C(=CNC2=C(N=CC=C2)NC=C3C(=O)CC(CC3=O)(C)C)C(=O)C1)C 1 1.606 3 4 0 -10.2335993719476 5243547 C1CCC(CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br 1 2.975 2 3 -13.9230660762084 5243508 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 1.571 4 6 0 -14.4541299757566 5243451 CC(=O)NCC(=O)N(C)C(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)OC 1 0.978 3 4 0 -14.3302552401589 5243424 CC1CCCCN1CC(CN2C3=C(CCCC3)C4=C2C=CC(=C4)C)O 1 5.121 2 1 3.39043295355863 5243272 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3C=CN=C3 1 2.315 2 3 -6.88962659381294 5243186 CC1NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=C(C=C3)Br 1 2.613 3 2 -8.71508695085116 5243160 CCC(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Cl)SC3=NN=CN3C 1 3.191 6 1 0 -15.3576499373615 5243057 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)C3CCS(=O)(=O)C3 1 0.827 2 5 0 -26.0135310697463 5263282 CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2C4=CC=CC=N4)OC5=CC=CC=C5C3=O)OCC=C 1 4.255 2 5 0 -17.0306773813176 5263280 C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=O)N(C3C4=CC(=CC=C4)O)C5=CC=CC=N5 1 3.081 2 4 -5.82243145667981 5241699 CN1C=CC(=N1)NC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N(C)C 1 2.249 4 3 0 -7.03118697406603 5241645 CC1=CC=C(C=C1)C(=O)NC2CC3CCC(C2)N3C 1 2.153 2 1 -4.8302831953548 5241173 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3C)[N+](=O)[O-])OC)C 1 3.358 3 8 0 -29.5565881750319 5241107 CCCCNC(=O)CN1C(=O)C2=C(N=CN2CCC(C)C)N(C1=O)CC3=CC=CC=C3 1 3.452 5 3 0 -21.5122966974952 5240983 C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)CCCC(=O)O 1 3.621 3 3 -8.0526932616713 5240921 CC1CN(CC(O1)C)C(=O)COC2=C(C=C(C=C2)C3C(=C(NC(=S)N3)C)C(=O)OC)OC 1 2.028 3 6 0 -41.3823228819694 5240918 COC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)CC3CCCO3 1 1.185 2 5 0 -11.739552873105 5240843 CN(C1=CC=CC=C1Cl)C(=O)C2=COC(=O)C3=CC=CC=C32 1 2.989 1 3 -6.63707649808223 5240819 COC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.674 3 6 0 -22.3232251680667 5263110 CC(C)SC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=CS4)C(=O)CC(C3)(C)C 1 3.549 3 2 -25.5726828405202 5240784 CC1CCCC(C1C)NC(=O)COC(=O)CCNC2=CC=CC=C2OC 1 3.066 2 4 -15.6504173013014 5240737 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NN=C(CCC(=O)O)C3=CC=CS3)[N+](=O)[O-] 1 1.927 4 7 0 -24.8651036410186 5261767 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5 1 5.413 3 3 -6.21471624062652 5240694 CCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)N4C=CC=CC4=N2 1 1.97 4 3 0 -20.8397910027179 5240568 CCC1CCCCN1C(=S)NCC2=CC=CC=C2 1 4.595 2 0 -11.2611828865926 5240566 CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)C3=CC=CC=C3OC)C 1 3.078 3 4 0 -10.0821526294986 5240525 COC(=O)C(C=NOCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.51 3 6 0 -6.7218668388802 5240523 CC1(C(C(NC(C1[N+](=O)[O-])C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)[N+](=O)[O-])C 1 4.429 3 4 0 0.91247711666717 5240507 CC1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC3 1 1.212 3 3 0 -14.1589329496258 5240503 CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C 1 3.033 4 4 0 -26.684204058765 5240391 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3CCCO3 1 3.278 1 4 -13.6544547263969 5240344 C1COC2=C(O1)C=CC(=C2)NC3=C(N=C4N3C=CC=N4)C5=CC=C(C=C5)Cl 1 4.671 4 2 -0.384949712376278 5240258 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.879 4 2 -1.26900041734207 5240172 C1CN(CCN1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 3.307 4 6 0 -12.6603174273708 5261757 C=CCNC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.012 3 1 -7.96589976367847 5240164 COC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC4=C(C=C3)OCCO4 1 2.224 3 5 0 -5.92830071187456 5240133 CCC(CNC(=O)NC(=C(Cl)Cl)C1=CC(=C(C=C1)C)F)O 1 2.996 2 2 -1.41525549329284 5240129 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C4C(C(NC(=O)N4)(C(F)(F)F)O)C(=O)C5=CN=CC=C5 1 3.838 5 3 0 7.10740258857441 5240104 CC1=CC=C(C=C1)SC2=C(C=NC=C2)S(=O)(=O)N 1 1.989 2 2 0 -1.90798696442161 5240041 CCC1=CC=C(C=C1)C2=NN=C(SC2)NC3=CC(=CC=C3)S(=O)(=O)N(C)C 1 3.783 4 2 -8.82545874595945 5240018 CC(=NNC(=S)NCCOC)C1=CC2=C(C=C1)C=C(C=C2)OC 1 2.973 3 2 -8.77952268134759 5239929 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 3.117 3 3 -18.2050063261902 5239604 COC1=CC=C(C=C1)CCNC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3 1 3.524 1 4 -7.6480383811492 5239351 C1CCC(=CC1)CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.739 1 3 -19.7131354951801 5239347 CCN(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=C4C(=CC(=C3)Br)CCN4C(=O)C 1 2.789 2 5 0 -13.6177908071294 5239319 C1CC(=O)N(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 0.459 2 7 0 -28.4012811103569 5239268 CC1=NC(=C(C=C1)OCC(=O)NC2=NOC(=C2)C)[N+](=O)[O-] 1 1.154 4 5 0 -17.2014612009355 5239217 CC1=NNC(=O)C1C(C2=CC=C(C=C2)Cl)C(C#N)C#N 1 1.49 4 1 0 -6.39779277554841 5239157 C1COCCOCCOCCNC(=S)NCCOCCOCCOCCNC(=S)N1 1 0.167 4 6 0 -9.7295115658125 5239152 CCNC(=S)N(CCC1=C(NC2=C1C=C(C=C2)C)C)CC3=CC=CO3 1 5.137 3 1 -7.51625896879709 5239058 CNC(=O)CC1C(=O)N(C(=S)N1NC(=O)C2=CC=CC=C2)C 1 0.55 4 3 0 -16.5632630840707 5238873 CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 5.751 2 4 -4.60982601878773 5238869 COC(=O)C1=C(C2=C(S1)C=C(C=N2)C(F)(F)F)C3=CN=CC=C3 1 3.426 2 2 1.7013943751783 5238865 CC1CC(=O)C(C(=O)C1)C2C3=CC(=C(C=C3CCN2C(=O)CCl)OC)OC 1 2.061 1 5 -15.07704048704 5238859 CN(CC1=CC=CC=C1)C(=O)COC2=C(N=CC=C2)[N+](=O)[O-] 1 1.945 3 4 0 -10.3422994272312 5238755 CN(C)C1=CC=C(C=C1)C=NNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.427 4 2 -6.93504007782032 5238740 CC(=NNC(=S)N)C1=CC2=C(C=C1)OCCO2 1 1.566 3 2 0 -6.98547616893778 5238680 CCCNC(=O)C12CCC(C1(C)C)(C(=O)O2)C 1 1.824 1 3 0 -13.5508298204104 5238634 CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=C(C=C(C=C1)F)F)OC2=CC=C(C=C2)F 1 4.649 2 4 -5.93467316051115 5238415 CC1=C(C(=CC=C1)Cl)OCC2=CC=C(O2)C(=O)NC3C4N(C3=O)C(=C(CS4)COC(=O)C)C(=O)O 1 2.61 2 8 0 -13.0204798897861 5238402 C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC(=O)NCC4CCC(CC4)C(=O)O 1 3.294 1 6 0 -23.6879984842728 5238384 C1=CC=C(C=C1)CCC(=O)NNC(=O)NC2=CC(=CC=C2)Cl 1 2.935 3 2 -7.20104810362296 5238376 CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NC4=CC=CC=C4S3 1 2.233 3 4 0 -15.6354932311575 5238304 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F)C 1 2.783 2 6 0 -19.4826928298867 5238249 CC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)C3=CC=NC=C3)Cl 1 3.078 4 1 6.88939383734011e-002 5238250 COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CO3 1 3.066 3 3 -8.61642450706666 5238279 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=NC=C2)CN3CCOCC3 1 1.277 4 3 0 -9.74751448812664 5238171 CC1=CC(=NN1C2=NC(=C3C4=C(COC(C4)(C)C)SC3=N2)NCCN(C)C)C 1 3.313 6 1 0 -13.9408016806438 5238151 COC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)CN5C6=CC=CC=C6N=N5 1 5.592 5 3 0 -16.0439794208046 5238136 CCOCCOC(=O)C1=CN=C(C=C1)N2C=NC=N2 1 0.834 4 3 0 -14.6221133265599 5238107 CN1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2CC4=NC(=CS4)C5=CC6=CC=CC=C6C=C5 1 4.086 5 1 8.22418399902001 5238059 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=NOC(=O)C3=CC=C(C=C3)F)C 1 4.949 2 2 5.2668069244676 5237904 CN(C)CC1CCCCC1OC(=O)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.914 2 4 -1.68241130051443 5237861 CCN1C(=NN=C1SCC2=CC=CC(=C2)C)C3=CC=C(C=C3)C 1 5.313 3 0 -4.9820510968389 5237834 CC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.928 3 2 2.83700118120022 5237831 COC1=CC=C(C=C1)CNC(=O)CCC(=O)NC2=CN=CC=C2 1 0.79 3 3 0 -13.7690426393227 5237758 CC(C)C(C(=O)OCC(=O)N1CCCCC1)NC(=O)C2=CC=CC=C2 1 2.255 2 4 -22.9599684484763 5237709 C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CN(N=C4)CC5=CC(=C(C=C5)Cl)Cl 1 5.068 3 1 -6.14402856551546 5237608 CN1C=CN=C1C(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C 1 0.851 3 3 0 -11.1197202000012 5237586 C1=CC(=C(C(=C1)Cl)C=NNC2=CC=C(C=C2)C(=O)O)F 1 3.948 2 2 -3.05440735300037 5237584 CN(C1CCCCC1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CS3 1 3.341 2 4 -21.4354897598696 5237490 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4 1 3.2 4 2 -8.52453281843593 5237384 COC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3 1 1.77 1 7 0 -18.4262831732597 5237351 CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 4.487 4 2 -9.4686830359733 5237348 CC1CCCN(C1)C(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 3.036 4 3 0 -9.88030550583864 5237347 CC1=CC=C(C=C1)CNC(=O)NC23CC4CC(C2)CC(C4)C3 1 3.582 2 1 -7.57326064300052 5237340 CC(=NNC1=CC=CC=C1C(=O)O)C2=CC=NC=C2 1 1.908 3 2 0 -3.78155805701645 5237327 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)NC4=CC(=CC=C4)S(=O)(=O)NCC5=CC=CO5 1 4.629 3 4 0 -10.0583540319807 5237319 COCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)F)OC)OC 1 4.554 2 4 -19.1704782744067 5237273 CC1=C(SC=C1)C(=O)NCC2=CC=C(C=C2)F 1 3.266 1 1 -8.10946633353027 5237269 C1CC(C2=CC=CC=C2C1)NC(=S)NC3CC3 1 3.746 2 0 -6.90965949330711 5237229 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.277 2 5 0 -8.53773568764074 5237226 CC1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3 1 2.181 1 3 -9.49542254278568 5237219 CC(C(=O)OCC1=NN=C(O1)C2=CC=CC=C2)N3C(=O)C4CCCCC4C3=O 1 2.146 3 5 0 -11.4544846773297 5237191 C#CCN1C2=CC=CC=C2C3=NC4=CC=CC=C4N=C31 1 4.813 3 0 -2.23818252359551 5237158 C1=CC=C(C=C1)OC2=CC(=CC=C2)OCC(=O)NN 1 1.735 2 3 0 -2.06081114818908 5237154 C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NCC4=CC5=C(C=C4)OCO5 1 2.844 2 5 0 -11.5388710687611 5236958 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=CC=CC=[N+]2[O-] 1 2.031 3 4 0 -19.09512266815 5236937 CCN1C2=CC=CC=C2C(=C1C(=O)OCC)C=O 1 2.933 1 3 -2.77750681613085 5236936 CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C=O 1 4.167 1 3 -5.63211258089401 5236933 CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC=CC=C3F)C=O 1 4.373 1 3 -6.43909674864815 5236932 CCOC(=O)C1=C(N(C(=C1C=O)C)CC2=CC=CC=C2)C 1 2.967 1 3 -8.0635564398563 5236931 CCC1=C(C(=CC=C1)CC)C(C2=CN=CC=C2)OC(=O)C 1 3.95 1 2 -7.08468617450665 5236779 CC(C)(C)N(CC1=CC=CC=C1)C(=O)C2=CC=NC=C2 1 2.608 2 1 -4.10556637930425 5236773 CN(C)C1=CC=C(C=C1)C=NN(C)C2=NS(=O)(=O)C3=CC=CC=C32 1 2.633 4 2 -5.84914473129163 5236771 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CS3)C(=O)C4=CC=CC=N4 1 4.691 3 2 -19.7536768792098 5236755 CC(C)(C)C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C23CC4CC(C2)CC(C4)C3 1 4.671 1 3 -5.4098002780001 5236753 COCCNC(=O)C(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3 1 2.896 2 3 -8.26322201107376 5236748 CC1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)N4CCC(CC4)CC5=CC=CC=C5)C 1 5.831 4 1 -8.12268229565614 5236693 C1=CC=C2C(=C1)N=C(N2CC(=O)NCC(F)(F)F)COC3=CC=C(C=C3)Cl 1 4.043 3 2 -11.1469114738438 5236681 CC(=O)NN(C1=CC=CC=C1)C(=O)C(C2=CC=CC=C2OC)(C3=CC=CC=C3OC)O 1 2.885 2 5 0 -12.2094976346937 5236672 CC1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)N4CCN(CC4)C5=CC=CC=C5)C 1 4.803 5 1 -8.52165065968735 5236564 CC(=NNC1=NC(=O)CC(S1)C(=O)O)C2=CC=CS2 1 1.75 3 3 0 -11.9790098155585 5236525 CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CN(C)C4CCCCC4 1 4.115 3 1 -15.9254241799912 5236484 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2 1 1.407 2 6 0 -24.2833353887021 5236434 COC1=CC2=C(C=C1)C3=NC4=C(C=NN4C=C3CC2)C#N 1 2.513 4 1 0.722052914973537 5236409 COC1=CC=C(C=C1)C2(CCC(=O)N2C3=CC=C(C=C3)OC)C#N 1 2.791 2 3 -3.92544639749778 5236318 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 0.432 2 7 0 -23.6507790882541 5236287 CC1=CC=C(C=C1)C2CC2C(=NO)C3=CC=C(C=C3)F 1 4.37 1 1 1.48816613140305 5236149 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCCCC(=O)C2=CC=C(C=C2)F)OCC 1 3.44 1 6 0 -16.943163329183 5236119 C1=CC(=CC=C1NC2=CC=NC=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=NC=C4)[N+](=O)[O-])[N+](=O)[O-] 1 4.539 7 5 0 -3.81080849698742 5236071 COC1=CC(=C(C=C1)C2CCCN2)OC 1 1.824 1 2 0 -4.4037793942741 5236058 CC1=NN(C(=O)N1N(C)C2=C(C=C(C=N2)C(F)(F)F)Cl)CC3=CC=C(C=C3)OC 1 3.988 5 2 0 -0.262280247984202 5235751 C1C2CC3CC1CC(C2)(C3)NC(=S)NC4=CC=C(C=C4)OC(F)F 1 5.46 2 1 -3.95104877011405 5235750 CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(S3)C 1 5.111 1 3 -16.1627288650449 5235707 CC1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCC5(CC4)OCCO5)C 1 2.676 2 6 0 -15.183764040073 5235682 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC(=CC=C4)Cl 1 3.16 2 5 0 -18.4921437721048 5235424 C1COCCN1C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=CC=C(C=C5)Cl 1 3.789 2 5 0 -4.77840167338239 5235416 C=CCN1C(=O)CSC2=C1C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F 1 2.997 2 2 -17.552559172817 5235407 CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4 1 3.368 4 4 0 -6.5596821265736 5235401 C1C2=C(N(N=C2CS1(=O)=O)C3=CC=C(C=C3)F)NC(=O)C4=CC5=C(C=C4)OCO5 1 2.44 3 5 0 -7.31795262588771 5235400 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)COC3=CC4=CC=CC=C4C=C3 1 2.565 3 4 0 -6.23758329075967 5235390 CCN(CC)CC1=C(C=CC(=C1)CCNC(=O)C2=CC=C(C=C2)Cl)O 1 4.136 2 2 0.301471610195382 5235373 C1=CC(=CC=C1C(=O)C2=CC=C(S2)CC(=O)O)F 1 3.349 0 3 -2.31092761999912 5235185 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2NS(=O)(=O)C4=CC=CC=C4)OC 1 3.158 3 5 0 -12.9375412243031 5234951 CCN1CCCC1CNC(=S)NC2=CC=C(C=C2)C(=O)C 1 3.229 3 1 -17.063353107564 5234905 C1CC(OC1)C(=O)NC2=CC(=CC=C2)NC(=O)C3CCCO3 1 0.736 2 4 0 -12.244171657025 5234736 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-] 1 2.708 3 5 0 -8.42741705718314 5234541 CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NCCS3)OC 1 2.498 3 4 0 -24.6252264327774 5234533 COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])CC5=CC=CC=C5 1 4.835 5 6 0 -3.60930601359129 5234489 CCOC(=O)C1=CC2=C(C=C1)N3C=CN=C3C(=N2)C4=CC(=CC=C4)Br 1 4.084 3 2 0.122203396951465 5234478 CCOC1=C(C(=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)Br)OC 1 0.873 4 4 0 -9.99684766208595 5234424 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3)OC 1 1.665 4 4 0 -15.5254375964329 5234421 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)CC3=C(C=CC=C3Cl)F 1 3.746 2 5 0 -24.5014487973173 5234292 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)NCCC4=CC=CC=C4 1 2.222 3 3 -10.7783485122748 5234163 C1=CC=C2C=C(C=CC2=C1)SC3=NC=NC4=C3OC5=CC=CC=C54 1 5.549 2 1 7.60702656701322 5234132 CC(C)CCNC(=O)CCCC1=NS(=O)(=O)C2=CC=CC=C2N1 1 1.992 3 3 0 -22.0954627286619 5234018 CCN(CC)C(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCC(CC3)C 1 1.137 4 4 0 -29.701578992392 5233936 CCOC1=CC=CC=C1C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)NS(=O)(=O)C 1 3.659 3 4 0 -11.8694428669935 5233890 CC1CC(CN(C1)C(=O)COC(=O)CC2=CC(=C(C(=C2)OC)OC)OC)C 1 2.492 1 6 0 -16.0188885928661 5233874 CC(C)OC1=CC2=C(C=C1)C(=O)NC(O2)(C3=CC=CC=C3)C(F)(F)F 1 4.319 1 3 -4.00988576115317 5233772 CCN(CC)CCNC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br 1 3.618 4 3 0 -11.9334934077258 5233733 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)N2CCCCC2CO 1 3.057 3 3 -14.2798871385151 5233725 CC1=C(C(NC(=S)N1)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)C(=O)OC 1 4.78 2 3 -18.4566038505356 5233607 CC1=NC=CN1CC(=O)NN=CC2=CC(=C(C=C2)OC)OC 1 0.856 4 3 0 -11.8712717266623 5233509 CC(C)CC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2 1 3.875 2 1 -6.81621048024688 5233403 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC3=NC4=CC=CC=C4N3 1 3.523 6 0 3.9214887636398 5233381 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CSC=C3 1 2.329 2 4 -22.5197259265906 5233279 CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=C(C=C3)Br 1 4.498 3 1 -5.68268913019411 5233179 C1=CC=C(C=C1)N2C=CN=C2SCCCC(=O)O 1 2.634 2 2 -6.90138341541434 5233140 COC(=O)C1=CC=C(C=C1)C2NC(=O)C3=CC=CC=C3O2 1 2.478 1 4 -5.53755886101658 5230771 CCC1=CC=CC=C1NC(=S)N(CC2=CN=CC=C2)CC3=CC=CO3 1 5.188 3 1 -13.5726590261694 5228822 C1CN(C2=CC=CC=C21)CC3=C(N=NN3C4=NON=C4N)C(=O)NN=CC5=CC=CC=C5 1 2.905 9 2 0 -32.2316190542027 5228666 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC(C)C2CC3CCC2C3 1 2.533 2 4 -15.6031024295839 5228616 CC(C)CC(C(=O)NCC1=CC=C(C=C1)Cl)NC(=O)N 1 2.187 3 2 -13.1976744070709 5228498 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(=O)CC3=CC=CS3)C4(CCCCC4)C(=O)NC5CCCC5 1 4.291 4 3 0 -24.669685750181 5228490 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NN2C=NN=C2 1 2.032 5 4 0 -15.7771305189363 5228448 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)N(C(=C3)C)C 1 3.081 3 3 -17.9483629859261 5228438 CC1=CC=C(C=C1)N2C(=O)CCC(=N2)C3=CC=C(C=C3)Br 1 4.066 2 1 -3.239695813931 5228434 CC1=CC(=C(C=C1)NC(=O)COC(=O)C(C(C)O)NS(=O)(=O)C2=CC=C(C=C2)Cl)Br 1 2.957 2 6 0 -17.0055187918544 5228283 C1=CC=C(C=C1)C(=NOC(=O)C2=CC=CC=C2Cl)C3=CC=NC=C3 1 4.302 2 2 -0.382853927176624 5228261 CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 2.957 3 4 0 -18.9864227150616 5228168 COC1=CC(=CC(=C1OC)OC)C=NNC(=S)NCC2=CC=CO2 1 2.947 3 4 0 -12.2364923545328 5228134 CN1C2CCC1CC(C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.209 2 4 -9.17944742197206 5228132 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3N(C(=O)CS3)CCC4=CC=CC=C4 1 3.472 3 3 -17.0609726738492 5228103 C1COCCN1CCCN2C(=O)C3=C(C=CC(=C3)F)NC2=S 1 2.236 3 2 -5.29906168910899 5228073 COC1=C(C=C(C=C1)C2=NN=C(N2N)SC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)OC 1 4.946 5 3 0 -8.3510511234386 5228034 C1=CC(=CC=C1C=NNC(=O)CN2C=C(C=CC2=O)C(F)(F)F)F 1 1.695 3 2 0 -6.8578147233893 5227973 CC1=CC(=CC=C1)CSC2=NCCN2C(=O)C 1 2.713 2 1 -9.82722712754617 5227964 CCOC(=O)C1=C(SC2=C1CCCC2)NC(C(Cl)(Cl)Cl)NC(=O)C 1 4.002 2 3 -23.8141697731527 5227944 CC1=CC=CC(=C1)C(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 1 2.561 1 3 -13.6979682320323 5227819 CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)OC)C)[N+](=O)[O-] 1 2.241 3 4 0 -7.92015547993001 5227742 CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.896 3 3 -17.8997104042005 5227609 C1=CC(=CC=C1C=O)OCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 0.705 2 6 0 -16.1806890744029 5227513 COC1=CC=C(C=C1)CCNC(=O)CN2C(=O)C(NC2=O)CCSC 1 0.805 3 4 0 -15.9216438893932 5227427 C1CC(=O)N=C2N(C1)N=C(S2)SCC(=O)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)F 1 5.514 5 2 0 -13.8177840745882 5227348 C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.881 4 4 0 -24.374475468418 5227289 C1=CC=C2C(=C1)C(=O)N=C(N2)NN=CC3=CC=C(C=C3)F 1 2.675 4 1 -5.97394462010761 5227269 C1=CC=NC(=C1)NN=CC2=C(C=CC=C2Cl)F 1 3.707 3 0 1.46543609889612 5227246 CC(C1=CC=CC=C1)SC2=NCCN2S(=O)(=O)C3=CC=C(C=C3)F 1 4.178 2 2 -12.5429052382076 5227218 C1=CC(=CC(=C1)CN2C=C(C=N2)[N+](=O)[O-])C(=O)NC3=NN(C=C3)CC4=C(C(=C(C(=C4F)F)F)F)F 1 4.542 6 3 0 -15.1310049767626 5227138 CC1=C(C=CC(=C1)Cl)NC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.304 3 3 -6.9735286490093 5227072 C1=CC=C(C=C1)CC(CCNCC2=CC=CC=C2)C3=CC=CO3 1 4.653 1 1 -1.78156446122149 5226939 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4OC)SCC3 1 3.481 3 4 0 -19.0828143557196 5226832 CCC(C)(C(=O)NC1=C(C=CC=C1C)C)N(C)C(=O)C2=NC3=CC=CC=C3C=C2 1 4.787 3 2 -10.8699402307044 5226785 CN(CCO)CCOCCOC1=CC=CC2=CC=CC=C21 1 2.19 1 3 1.13125982042752 5226784 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC=C(S2)[N+](=O)[O-] 1 1.494 3 5 0 -6.55051416369562 5226720 CCOC1=CC=C(C=C1)NC2=CC(N(C2=O)C3=CC=CC=C3)(C)C(=O)OCC 1 3.448 2 4 -2.28397307063059 5226719 C1=COC(=C1)C=NNC(=O)CCCCCCCCC(=O)NN=CC2=CC=CO2 1 3.615 4 4 0 -9.2190019624552 5226713 CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=CC=C4 1 2.736 5 2 0 -0.289057343803157 5226669 C1=CC(=C(C=C1Cl)NC(=O)CC(=O)O)O 1 1.183 1 4 0 4.44919204197896e-002 5226509 C1CCN(C(C1)C(=O)N2CCCC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.62 3 5 0 -16.8667363960749 5226427 C1=CC(=CC(=C1)[N+](=O)[O-])C(=NOC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N 1 2.175 4 6 0 -2.77767528262668 5226411 CC(C)OC(=O)C1=C(N=CC=C1)SCC(=O)N(C)C2=CC=CC=C2 1 3.184 2 3 -17.5076978948902 5226395 CC1CCN(CC1)C(=O)CSC2=NNC(=C2[N+](=O)[O-])C 1 1.829 4 3 0 -13.0618272736513 5226377 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3 1 1.813 5 3 0 -18.9531005403885 5226375 CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)NCCOC 1 1.57 2 2 0 -7.36906754754884 5226271 CC1=CC(=CC=C1)NC(=O)C(C)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br 1 2.791 2 3 -10.7949640676947 5226251 CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CN3C(=O)CCC3=O)C 1 0.325 3 4 0 -18.7853015568033 5226240 COC1=C(C=C(C=C1)S(=O)(=O)NC2CCCCC2)F 1 2.788 1 3 -8.73701779994537 5226176 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2C(=O)N(C(=NC)S2)C 1 2.154 3 4 0 -18.5574468695859 5226154 CC(C1CC2CCC1C2)NC(=O)C3=CC=C(C=C3)F 1 3.485 1 1 -6.58166835405318 5226113 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br 1 2.438 3 4 0 -16.4025605992392 5225978 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NC=CN3C 1 0.933 4 4 0 -25.2629425460091 5225952 C1COC2=CC=CC=C2C13C(=O)N(C(=O)N3)CC(=O)NC4=C(C=C(C=C4)Br)F 1 2.182 3 4 0 -5.00946481646938 5225858 COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-] 1 2.501 4 4 0 -3.13367593837175 5225779 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3OC(F)F)C 1 3.753 4 3 0 -2.78553198365456 5225717 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2CCCC3=CC=CC=C23 1 2.754 2 3 -14.4066481837697 5225705 CC(C)NC(=O)CCS(=O)(=O)C1=CC=CC2=NON=C21 1 0.96 3 4 0 -20.5104031389693 5225704 CC1=C(C=C(C(=N1)C)C2=NN=C(O2)C3=CC=C(C=C3)C(C)(C)C)C(=O)NN 1 2.379 5 2 0 0.413170285321347 5225696 CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CC=CC=C2Cl)C#N 1 1.974 3 2 0 -12.9992345930975 5225625 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)C2=CC=C(C=C2)F 1 3.551 0 3 -7.37925962670905 5225501 CN(C)CCCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC=C(C=C3)Cl)O 1 3.008 4 3 0 -4.59424722288656 5225473 CC(C)(C)OC(=O)NC1CONC1=O 1 -0.193 2 4 0 -10.0160083459473 5225454 COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCCC(=O)O 1 2.883 2 4 -14.6921316068652 5225418 C1COCCN1C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br 1 1.662 1 4 0 -8.42282228649229 5225397 CC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3N=C2NCC(C)O 1 2.39 4 2 -9.72383264728386 5225374 CSC1=NCCN1C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 3.861 2 1 -4.25678187101909 5225306 CC1CCCCN1C(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 2.124 3 2 -17.3084496692905 5225274 CC(C)COCC1CC(C(=O)O1)CC(=NNC(=S)N)C 1 1.317 3 3 0 -6.94383433216821 5225261 CCCCC1C(=O)N=C(S1)NN=CC2=CC=CS2 1 3.824 3 1 -8.35134396276815 5225192 CCS(=O)(=O)C1=C(C(=C(C=C1)C2=CSC(=N2)C3=CC=C(C=C3)Cl)Cl)Cl 1 6.025 1 2 -0.258435938339276 5225076 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4OC)SCC3 1 2.287 4 4 0 -27.1581831381693 5225067 CC1(CC(=O)CC(=O)C1=NNC2=C(C=C(C=C2Cl)Cl)Cl)C 1 4.465 2 2 1.18674088259701 5225043 COC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=NC=C3 1 2.391 3 2 -1.3421603875466 5225000 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 3.267 2 6 0 -22.5649344903485 5224983 CC1=C(C(=CC=C1)N2C(=O)CC(C2=O)N3C=CN=C3)C 1 1.591 3 2 0 -0.961985935947566 5224928 C1CS(=O)(=O)CC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F 1 2.586 3 4 0 -29.7156616036069 5224712 CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)NC4=CC(=CC=C4)Cl 1 4.218 2 5 0 -13.5329441497264 5224489 C1CC(=NNC2=CC=C(C=C2)Cl)CC(=O)C1 1 2.836 2 1 -1.2877673118566 5224458 CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3CC3)C 1 3.306 2 1 -3.2282471662995 5224388 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Br 1 3.252 4 3 0 -14.4593582026395 5224323 CC(=NNC(=O)COC1=CC=CC=C1C2=CC=CC=C2)C3=CC=CC=N3 1 3.295 3 2 -3.62059642071376 5224143 C1=CC=C(C=C1)C(=O)C(NC(=O)C2=CC=CC=N2)O 1 1.451 2 3 0 -10.4635934553678 5224115 COC1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=CC=C3)CC4=CC=CO4 1 3.857 3 4 0 -8.6270329067025 5224113 CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)OC 1 3.621 4 3 0 -10.7001515903685 5224034 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)C 1 3.017 1 7 0 -13.2990353784404 5223919 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O 1 1.474 1 6 0 -15.205466350578 5223767 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.195 3 3 -12.1361279334647 5223704 CC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl 1 3.786 2 2 -1.17588609392618 5223690 C1=CNC(=C1)C(=O)COC(=O)C2=C(C=C(C=C2)F)F 1 2.737 1 3 -3.77754357371589 5223654 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=NNC(=O)C(=O)N 1 1.983 3 2 0 -2.37117194632645 5223450 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)OC 1 2.329 5 3 0 -15.6536324692561 5223447 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)OCC(=O)NC4=CC=CC(=C4)C(F)(F)F 1 3.625 2 5 0 -7.72786151279366 5223401 CC(=NNC(=S)NCCC1=CC=CC=C1)C2=C(C=C(C=C2)Cl)Cl 1 5.445 3 0 -5.85939168135123 5223337 C1CN2CCC1C(C2)OC(=O)C3=C4C(=CC=C3)NC=N4 1 1.737 3 2 0 -1.33990224273739 5223324 CCOC(=O)C1=CC(=NN1C2=CC=CC=N2)C3=CC=CC=C3 1 3.887 3 2 0.50934722858148 5223314 CCC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N(C)C)Cl 1 1.105 2 5 0 -14.4159272883312 5223276 C1=COC(=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)Cl 1 2.515 3 3 -1.43136122537935 5223251 COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCC5CCCO5 1 3.8 4 4 0 -24.7723498590723 5223232 CCN(CC1=CC=CC=C1)C(=O)CSC2=C(C(=CC(=N2)C)C)C#N 1 3.606 3 1 -20.2258471379342 5223151 CNC(=O)CC1C(=O)N(C(=S)N1NC(=O)C2=CC(=CC=C2)F)C3=CC=C(C=C3)Cl 1 2.997 4 3 0 -13.9357981427482 5223112 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCN3C4=CC=CC=C4OC3=O 1 2.894 3 3 -3.72256709514859 5223024 C1=CC(=CN=C1)CN2C(=O)C(NC2=O)(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.101 4 4 0 -2.94027228379412 5222986 CC1=CC=C(C=C1)N2C(=NN=N2)C3=CN=C(N=C3C(F)(F)F)C4=CN=CC=C4 1 3.189 7 0 0 -2.41961668609425 5222985 C1CC(C2=CC=CC=C2C1)NC(=O)NC3=CC=C(C=C3)F 1 3.751 2 1 -3.32085788045514 5222901 CCN1C(=NN=C1SCC2=CC=CC(=C2)C)C3=CC=CC=C3 1 4.826 3 0 -5.08934313600771 5222878 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)Cl 1 1.831 2 6 0 -16.2959237334966 5222827 C1CCC(C1)N2CC(CC2=O)C(=O)N3CCC4(CC3)OCCO4 1 0.405 2 4 0 -17.0447193918594 5222682 CC(C)CC(=O)NC1=C2CSCC2=NN1C3=CC=C(C=C3)F 1 3.399 3 1 -5.92764713402426 5222641 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43 1 1.132 5 5 0 -15.4342328477401 5222557 C1=CC=C(C=C1)N=C(C2=CC=CC=N2)NN=CC3=CC=CC=N3 1 3.076 5 0 0.661780558414875 5222378 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2)C 1 1.871 2 7 0 -24.5022958250973 5222370 CC1=C(C=CC(=C1)OCC(=O)OCC(=O)C2=CC=CN2)Cl 1 3.312 1 4 -6.37164591855187 5222360 CC1=CC(=NO1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=CC=C3 1 0.851 4 4 0 -16.4716462261833 5222305 C1C(N(N=C1C2=CC=C(C=C2)Cl)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-])C4=CC=CO4 1 3.487 4 5 0 -11.0276736313691 5222293 CC1=CC=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=CS2 1 2.182 3 2 -13.7186160202816 5222270 CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)NN=C3CC(=O)CC(C3)(C)C)Br 1 5.415 2 3 -8.72288971837029 5222210 C1COCCN1CCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.364 3 3 -0.988987403906836 5222138 COC1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl 1 4.776 2 2 -6.45506706291637 5222096 CC(=O)C1=CC(=C(C=C1)COC2=C(C=C(C=C2)C(=O)OCC(=O)NC(C)(C)C)OC)OC 1 2.95 1 7 0 -21.8848615497375 5222003 C1C(N(N=C1C2=CC=CS2)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 5.34 2 0 -0.330716294252672 5221969 C1=CC=NC(=C1)C(=NOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N 1 2.223 4 4 0 5.49654409826017e-004 5221932 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=CN4C=CC=CC4=N3 1 3.302 3 1 -3.14934529681911 5221753 CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)SC=C2 1 3.766 2 1 -16.8360960962056 5221793 CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.821 4 4 0 -28.6314191936634 5221744 COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(O3)[N+](=O)[O-])Cl 1 4.102 2 7 0 -14.3948706756211 5221738 CC1=C(C=C(C=C1)NC(=O)COC2=C3C=CSC3=NC=N2)S(=O)(=O)N(C)C 1 1.874 4 4 0 -14.488926268953 5221709 CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NC3=CC=C(C=C3)F 1 3.052 3 1 -3.24357817405014 5221671 COC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3 1 1.69 3 7 0 -22.0491468277428 5221543 CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 2.82 4 6 0 -19.8854767011374 5221496 CN(C)C=NC1=NC(=CS1)C2=CC3=C(C=C2)OCO3 1 2.05 3 2 8.27190846088742 5221460 COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)OCC(=O)NCCCC4=CC=CC=C4 1 2.48 5 6 0 -24.6534877873405 5221438 C1=CC=C(C=C1)CCNC(=O)C2=NC=CC3=CC=CC=C32 1 3.129 2 1 -9.22918330328145 5221404 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.236 3 3 -6.67350630870833 5221364 CC1=C(C2=C(N1C(C)C)C=CC(=C2)OC)C(=O)O 1 2.814 1 3 -1.7726701690029 5221227 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCN4CCOCC4)C(=O)NCCN5CCOCC5 1 -0.647 7 4 0 -27.3511204872418 5221215 COC1=CC=CC=C1C2=NN=C(O2)NC(=O)C3=CC=CC=C3F 1 2.644 3 3 -7.44230436341143 5221196 CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C=C(C=C2)OCC)[N+](=O)[O-] 1 2.991 5 4 0 -15.9316173216486 5221152 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-] 1 2.277 2 7 0 -12.6975127200084 5221119 C1CN(CCC1=NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CC3=CC=CC=C3 1 2.127 5 4 0 -8.37384112809726 5220725 C1CCCC(=NNC(=O)C2=CNC3=CC=CC=C32)CC1 1 3.158 3 1 -5.46243531151179 5220678 CC1CC2=CC=CC=C2N1C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-] 1 4.246 3 3 -9.64398275738963 5220580 CC1=C(SC(=N1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)C(=O)C 1 3.089 2 3 -6.92780711437743 5220437 CC1=C(C(=NC2=NC=NN12)C)CC3=C(C=C(C=C3)Cl)F 1 3.65 4 0 -8.25940553381632 5220388 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NCCN3CCCC3)Br 1 2.157 3 3 -12.8741413748151 5220364 CN1CCN(CC1)N=CC2=CC=C(C=C2)C3=CC=CC=C3 1 3.039 3 0 5.94513452006716 5220356 C1=CC=NC(=C1)N(C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.732 4 3 0 -7.56324294682552 5220350 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)OC 1 4.005 1 2 -4.76512949566271 5220346 CC(C)CC(=NNC(=O)C1=CC(=CC=C1)OC)C2=CC=CC=C2 1 4.022 2 2 -8.19935438881767 5220239 CC1=NN(C2=C1C(N3C4=CC=CC=C4NC(=O)C3=N2)C5=CC=C(C=C5)OC(F)F)C6=CC=C(C=C6)[N+](=O)[O-] 1 4.793 6 4 0 -8.2552494790326 5220187 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCN3C(=O)C4=C(C=CS4)NC3=O 1 1.761 5 5 0 -12.3464877713426 5220186 CCCCN(CC)C(=O)C1=NNC(=O)C2=CC=CC=C21 1 2.071 3 2 -15.0618990340085 5220152 CC1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Br 1 3.638 2 4 -2.9744474310017 5220118 CC(C)OP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=CC=C2)NC3=CC=CC=C3 1 5.354 2 2 -10.3901058889584 5220114 CCN1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Br 1 2.775 3 4 0 -0.193299744429981 5220101 CC1=C(C(=CC=C1)C)CN2C3=C(C=CC(=C3)C(F)(F)F)N4CSCC4C2=O 1 5.052 2 1 4.50923240145895 5220052 C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)N 1 1.035 4 2 0 0.538063302085689 5220035 C1C(C1C(=O)NNC(=S)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl 1 4.521 3 1 -3.28096317891256 5219869 CC1=CC=C(C=C1)C(=O)N2C3=CC4=C(C=C3N=C2SC)OCCO4 1 4.355 2 3 -3.09663883187648 5219821 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NNC(=O)C3=CN=CC=C3 1 7.5e-002 4 4 0 -10.0571864270805 5219757 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC3=CC=CC=C3 1 2.29 3 3 -3.27696006667539 5219707 CC1(C(N(C(=O)O1)NCC2=CC=CC=C2)(C)O)C 1 1.315 2 3 0 -3.58756747073461 5219690 CC1=CSC2=NC=C(C(=O)N12)C(=O)NCC3=CC=CC=N3 1 0.211 4 2 0 -16.4804758439422 5219599 CC1CN(CC(O1)C)CCCC(=O)NC2=C(C=CC=C2C)C 1 2.941 2 2 -13.4991937050665 5219592 CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2)OC)OC 1 2.738 1 4 -12.0898620986581 5219572 CC1CCC2=C(C1)SC3=NC(=NC(=C23)NC4=CC(=C(C=C4)OC)OC)CN5CCOCC5 1 4.453 4 3 0 -12.8518336109717 5219558 CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCC3(CCCCC3C2C4=CC=C(C=C4)F)O)C 1 3.742 2 4 -11.4442702280038 5219557 COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=N)N(C=N4)CC5=CC=CO5)OC 1 3.555 3 5 0 -4.79453974849192 5219538 C1=CC2=NC(=CN2C=C1)CNC(=O)COC3=CC=C(C=C3)Br 1 2.16 3 2 -12.5480009687783 5219524 CCCC(=NNC(=O)C1=CC=C(C=C1)OC2CCCC2)C3=CC=CS3 1 5.126 2 2 -12.3740869023209 5219444 CSC1=CC=C(C=C1)C=NNC(=O)CNC2=CC=CC3=CC=CC=C32 1 3.794 3 1 -4.68570435141489 5219389 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=CC=CC=C4OC3=O 1 2.309 3 6 0 -23.4965091718319 5219387 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.472 2 4 -12.6721261580809 5219365 C1CN(CCN1C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 3.014 5 3 0 -18.5906084545336 5219342 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)C3=C(N(C(=C3)C)CC4CCCO4)C 1 1.685 5 4 0 -25.650802449433 5219277 CC1=NNC(=O)C(C1)CC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 1.5 3 2 0 -10.8968885169684 5219260 C1=CC=C(C(=C1)C#N)OCC(=O)OCC(=O)C2=CC=CN2 1 2.04 2 4 -9.96431132568592 5219238 CN1C2=C(N=C1NCCOC)N(C(=O)N(C2=O)CC3=CC(=CC=C3)Cl)C 1 1.895 5 3 0 -8.16308145202458 5219215 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)C 1 3.618 2 3 -8.04343513518229e-002 5219166 C1CCC(=NNC(=O)CNC2=CC=CC=C2)C1 1 1.612 3 1 0 -11.4819047065925 5219120 CN(C)C(CNC(=O)CC1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC 1 2.791 2 3 -7.40557458347728 5219047 CCC(C)NC(=O)COC(=O)C1=C(C=C(C=C1)Cl)O 1 2.417 1 4 -11.8360113441362 5219026 CC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)C(=O)NC3=CC=CC=C3)C 1 4.022 4 2 -8.07298265596985 5218978 COC1=C(C=CC(=C1)C2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl)OCC4=CC=CC=C4 1 3.071 3 6 0 -9.59347495328331 5218922 CC1C(=O)N=C(S1)NN=CC2=C(C=CC(=C2)C)OS(=O)(=O)C3=CC=CC=C3 1 4.056 3 4 0 -11.4689818485418 5218883 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4CCCO4 1 2.512 2 5 0 -15.1186638171063 5218813 CC1=NC2=C(N1C3=CC(=C(C(=C3)OC)OC)OC)C=CC(=C2)C(=O)NCCN4CCOCC4 1 2.374 4 5 0 -12.9966580645831 5218711 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC(OC(C3)C)C)C 1 2.359 2 4 -25.6498872447964 5218706 CC1=CC=C(O1)C(=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)C)C 1 3.759 2 3 -1.67416228023907 5218704 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCCC2=CCCCC2 1 2.838 2 4 -22.2492425744719 5218644 C1COCCN1CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=C(C=C(C=C4)F)F 1 4.119 3 2 -9.2033819366473 5218641 C1=CC=C2C(=C1)C(=CC(=N2)SC3=C(C=C(C=C3)F)F)C(=O)NCC4=CN=CC=C4 1 4.725 3 1 -9.55653730873373 5218593 CC1=CC=C(C=C1)C=NN2C(=O)C(=NN3C2=NN=C3)C(C)(C)C 1 2.877 6 1 0 -4.85630959878969 5218405 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=CC=C4 1 5.204 2 6 0 -26.9104125972025 5218417 CC1CCCN(C1)CC(=O)C2=CC(=C(C=C2)Cl)Cl 1 4.141 1 1 -1.30615310674064 5218387 CCN1C(N2C3=CC=CC=C3N=C2C4=CC=CC=C41)C5=CC=CO5 1 4.989 3 1 -2.73901601022152 5218355 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-] 1 2.969 3 5 0 -9.31118998915584 5218301 CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CCCN5CCOCC5 1 1.659 6 3 0 -25.5510606757445 5218300 COC1=CC=C(C=C1)CCN2CN(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=C(C=C5)OC 1 4.281 4 4 0 -9.89236652669659 5218253 CC(=O)C1C(C(=C(CC1(C)O)NC2=CC=C(C=C2)OC)C(=O)C)C3=CC=C(C=C3)N(C)C 1 2.632 2 4 -13.4006075136021 5218224 CSCCC(C(=O)OCC(=O)NC1CC1)NS(=O)(=O)C2=CC=C(C=C2)Br 1 1.557 2 5 0 -24.6876735601054 5218194 CC(C(=O)N)OC(=O)C1=CC=CC=C1NC2=CC=C(C=C2)SC(F)F 1 3.937 2 3 -5.8389870868991 5218169 CCOCCCNC(=O)C(C1=CC=C(C=C1)Cl)N(CC2=CC=CS2)C(=O)C3=CC=CC=N3 1 3.568 3 3 -15.5313021863837 5218128 CC1=C(C2=NC3=CC=CC=C3N2C(=C1)C(C)C)C#N 1 4.113 3 0 -7.81623639730344 5218027 CC(C)(C)NC(=O)NC(=O)COC(=O)C1=COCCO1 1 -0.63 2 6 0 -16.3192851595211 5218006 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CC=C(C=C3)O 1 2.6 2 6 0 -21.1752773172152 5217999 CC1=C(C=CC(=C1)OCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[N+](=O)[O-] 1 1.923 4 5 0 -20.5777269522404 5217911 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NS(=O)(=O)C3=CC=CS3 1 2.542 3 4 0 -12.5178370719986 5217891 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4 1 3.521 5 4 0 -15.7141621037261 5217873 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)OCC(=O)NC3CCS(=O)(=O)C3)OC 1 0.685 2 8 0 -30.9710079025214 5217823 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3F 1 3.021 5 3 0 -18.3644318985224 5217786 COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC3 1 2.07 3 6 0 -11.2589730764718 5217754 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)CC(C3=CC=CC=C3)N(C)C)C 1 4.017 3 3 -8.91911336918006 5217717 CC1CCCCN1C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3 1 2.816 4 1 -8.44528485618336 5217712 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=CC=CC=C3O 1 1.962 4 3 0 -3.58372496482036 5217553 CC1=CC=CC=C1N2C(=NN=N2)C3(CCOC(C3)(C)C)NC 1 1.427 5 1 0 -14.9390562003527 5217549 COC1=C(C=C(C=C1)CCC(=O)NCC2=CC=CC=C2Cl)OC 1 3.744 1 3 -17.3930609101831 5217546 C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=CN=CC=C3)N4CCCC4 1 1.346 8 0 0 -1.55776482465157 5217484 COC1=CC=CC=C1N2CCN(CC2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.602 4 4 0 -12.8405019860925 5217452 C1CC1N2C(=O)NN=C2SCC(=O)N3C(CC(=N3)C4=CC=C(C=C4)Cl)C5=CC=CO5 1 3.497 5 3 0 -20.8221091192959 5217414 CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)N3CCCC3)C 1 4.108 2 1 -9.50082253218533 5217410 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2C(=C(C(=NC3=C(C=C(C=C3)C)C)S2)C(=O)NC(C)COC)N 1 2.56 5 5 0 -17.672002790333 5217394 CC(C)OC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4 1 1.979 3 6 0 -20.6606050726679 5217391 C1CN(CCN1CC(=O)NC2=CC(=CC=C2)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.532 3 5 0 -19.6714618949933 5217376 CC1=CC=CC=C1NC(=O)CN2C(=O)C(NC2=O)(C)CCC3=CC=CC=C3 1 2.976 3 3 -8.0238240153131 5217321 CC1(CC1(Cl)Cl)C(=O)NC(=S)N(CC2=CC=CC=C2)C3=CC=CC=N3 1 4.839 3 1 -8.552570074652 5217360 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=CS2)C3=CC=C(C=C3)Cl 1 2.123 3 3 -11.6833970075674 5217294 C1CS(=O)(=O)CC1NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br 1 3.629 4 3 0 -22.938683670092 5217290 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C 1 2.076 4 6 0 -8.71132092205114 5217248 CC1=C(SC(=N1)NC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3)C(=O)C 1 1.399 4 3 0 -15.5656542185861 5217242 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC(F)F)OC)C 1 3.737 4 4 0 -3.34232026338444 5217234 CN1C=CC=C1C(=O)OCC2=CC=C(O2)C(=O)OC 1 2.188 1 5 -6.70917777608158 5217227 CCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4 1 2.125 3 6 0 -19.770647360364 5217129 CCCN(CC1=CC=C(O1)C)CC2=CC=C(O2)C 1 3.014 1 2 1.41842134103356 5217111 CC(C)(C)NC(=O)NC(=O)CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.244 4 2 -14.9256992018329 5217093 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=CC=CC=C2OC(F)F 1 3.569 1 7 0 -14.9588769136648 5216975 C1CC(OC1)CNC2=NC(=O)C(S2)CC(=O)NC3=CC=CC4=CC=CC=C43 1 2.592 3 3 -15.4761646859005 5216953 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(O2)CCCC3=CC=C(C=C3)OC 1 4.752 3 3 -18.7557450013778 5216927 CC(=NNC1=C(C=C(C=N1)Cl)Cl)C2=CC=C(C=C2)OC(F)F 1 4.952 3 1 5.00651298275537 5216903 C1CCC(=NCC1)NS(=O)(=O)C2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 3.975 4 4 0 -6.02097585858015 5216896 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=NC=C3)[N+](=O)[O-])C 1 3.652 5 4 0 -5.01017299667775 5216826 CCS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CC=C3)S(=O)(=O)C 1 1.802 3 4 0 -3.70622488861804 5216649 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 4.833 3 3 -8.01267066560088 5216640 CCCCN(CC)C1=C(C2=CC(=NC(=C2C(=N1)N)N)OCC)C#N 1 3.151 6 1 0 -7.09933339041165 5216639 C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2SCC(=O)NC4CCCC4 1 4.379 4 2 -12.4227053687795 5216604 C1CC2CC1CC2NC(=S)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 5.089 3 0 1.19474751279578 5216597 CC1=NN(C(=C1C=NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3OC)[N+](=O)[O-])N4CCCC4)C5=CC=CC=C5 1 5.071 7 5 0 -6.93227042822859 5216533 COCCN(CCOC)C(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)OC 1 0.469 3 7 0 -23.2548862164696 5216512 CC1=C(SC(=N1)NN=C(C)C2=CC=C(C=C2)[N+](=O)[O-])C 1 2.111 4 2 -4.50205501951082 5216500 C1CCC(C1)NC(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 2.42 1 3 -14.3464969840997 5216183 COC1=CC=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NC=NN4)N)C#N 1 1.273 6 2 0 -21.5951622573852 5216133 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C=C(C(=O)C(=C3)Br)Br 1 2.523 3 2 -8.78614143990044 5216126 C1C(=O)N=C(S1)NNC(=O)C2=CC=CC=C2 1 1.139 3 2 0 -10.368168785078 5216088 C=CCNC(=S)NC1=CC=C(C=C1)OC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 5.798 3 2 -9.70718989715208 5216030 CCOC(=O)N1CCC(=NNC(=O)NC2CCCCC2)CC1 1 1.619 4 3 0 -12.6039808750895 5216028 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3CCCC(C3C)C 1 3.803 2 4 -21.6957662727048 5216009 C1CC2=CC=CC=C2C(=NNC(=O)C3=CC=CC=C3Cl)C1 1 4.109 2 1 -8.69733666952383 5215992 C1CCC(C1)NC(=O)C2=CC=C(O2)CSCC3=CC=CC=C3F 1 4.251 1 2 -10.0323313206167 5215887 C1CCC(C1)NC(=O)CCSCC2=CC=C(C=C2)Cl 1 3.753 1 1 -9.6656711418985 5215885 CC1=CC=C(C=C1)CCNC(=O)CCSCC2=CC=C(C=C2)Cl 1 4.742 1 1 -11.7115281094882 5215882 COC1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=CC=C3)CCC4=CC=CC=N4 1 3.988 4 3 0 -11.2810658172742 5215878 CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)NCCO 1 1.161 2 2 0 -4.33224279170475 5215817 CC1=C(C=CC=C1Cl)NC(=O)C(=O)NN=C(C)CC(=O)NC2=CC=CC=C2NC(=O)C 1 1.492 5 4 0 -10.9178523330972 5215798 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)OC(=O)C 1 4.491 2 4 -3.17715680699935 5215732 CC1=CC(=NN1CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)NCC5=CC=CC=C5)C 1 3.838 7 1 0 -22.722271946394 5215703 CC1=CC=C(O1)C=NNC(=O)C2=CC=CC3=CC=CC=C32 1 3.132 2 2 -2.74713757284383 5215701 C1=CC=C2C(=C1)C(C3=CC=CC=C32)SCC(=O)NN=CC4=CC=C(C=C4)C(=O)O 1 4.014 2 3 -8.90515074446416 5215549 COC1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC)NC(=O)C3=CNC(=O)C=C3 1 1.167 3 5 0 -16.4265964039774 5215548 CC1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC)NC(=O)C3=CNC(=O)C=C3 1 1.669 3 4 0 -15.6002774617598 5215438 CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC(=CC=C5)O)C(=O)NC1=O 1 1.836 3 4 0 -10.2540557451957 5215431 C1=CC(=C(C=C1NC(=O)NNC(=S)N)Cl)Cl 1 2.224 4 1 -3.12942333145405 5215341 CCN1C=CC(=N1)C(=O)NC2=CC=CC=C2SC 1 2.583 3 1 -14.5290656115335 5215283 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)N=CC3=C(N(N=C3C)C4=CC=CC=C4)Cl 1 5.288 5 2 0 -2.95951808685401 5215228 CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=COCCO3)C 1 2.926 1 5 -17.0353802116579 5215186 CC1=CC(=C(C=C1)C(=O)NN=C2CCCC3=CC=CC=C32)C 1 4.417 2 1 -6.79621384474933 5215151 CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)N4CCOCC4 1 3.167 3 3 -19.024502457888 5215129 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F 1 3.342 3 5 0 -18.7779416324234 5214918 C1=CC=C(C(=C1)C=NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C(=O)O 1 1.678 4 6 0 -9.04204547876559 5214916 C1CCN(CC1)P(=O)(C(Cl)Cl)N2CCCCC2 1 2.035 2 1 -1.28563542150739 5214915 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=CC=C3OCC(=O)O)[N+](=O)[O-])C 1 4.268 4 7 0 -9.60021413058226 5214902 COC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4 1 4.386 1 4 -6.27263228088451 5214853 CC1=NN(C(=C1)C(=O)NCC2=CC=CS2)C3=CC=CC=C3 1 3.162 3 1 -9.9336085660158 5214851 CC1=NN(C(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 1 3.19 3 3 -8.82305433876064 5214850 CC1=NN(C(=C1)C(=O)NCCC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.407 3 1 -4.44104624652249 5214848 CC1=NN(C(=C1)C(=O)NCC2=CC=CC=C2OC)C3=CC=CC=C3 1 3.405 3 2 -9.68359953453634 5214847 CC1=NN(C(=C1)C(=O)NCC2=CC=CC=C2Cl)C3=CC=CC=C3 1 4.086 3 1 -8.52001492480976 5214846 CC1=NN(C(=C1)C(=O)NCC2CCCO2)C3=CC=CC=C3 1 2.197 3 2 -11.5259887700512 5214843 COCCNC(=O)CN1CCOC2=CC=CC=C21 1 0.723 2 3 0 -17.0158344278605 5214840 C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3CCOC4=CC=CC=C43 1 3.717 2 2 -8.77569527883469 5214839 C1CN(CCC1NC(=O)CN2CCOC3=CC=CC=C32)CC4=CC=CC=C4 1 2.548 3 2 -8.11083419010525 5214837 C1COC2=CC=CC=C2N1CC(=O)NCC3=CC=CO3 1 1.619 2 3 0 -16.0506038367303 5214641 CC1=C(SC=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)C)C 1 5.452 1 3 -17.2408675230668 5214614 CC(C(=O)NN=CC1=CN=CC=C1)OC2=CC3=CC=CC=C3C=C2 1 2.76 3 2 -3.9180352647043 5214574 COC1=CC=CC=C1N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4 1 3.723 1 3 -2.99594437308859 5214474 CC1CN(CC(O1)C)C2=NC=C(S2)C=NNC(=O)C3=CC=CC=C3O 1 1.714 4 3 0 -3.71405998443395 5214371 CC1=C(C(=CC=C1)N2C=CC=C2)C#N 1 3.071 2 0 -3.58804152152676 5214340 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)N3CCOCC3)C(=O)C4=CC=CC=C4 1 2.463 3 3 -27.7273053366626 5214311 C1CC(OC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)F 1 2.114 2 2 -9.15662392642806 5214307 CCOC(=O)C1=NN(C(=N1)C)C2=C(C=CC(=C2)Cl)Cl 1 3.267 3 2 -2.69267451676063 5214304 C1C(N2C(=O)C3=CC=CC=C3N=C2S1)CSC4=CC=CC=C4NC(=O)C5=CC(=CC=C5)Cl 1 5.723 3 2 -17.1283732534447 5214289 CC(=O)CN1C(=O)C2(CCCC3=CC=CC=C32)NC1=O 1 1.296 2 3 0 -3.99989692944567 5214288 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3CCOCC3)[N+](=O)[O-] 1 0.999 4 5 0 -17.8174500872337 5214206 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2F)C3=NC=CS3)O 1 1.491 2 3 0 -17.8231851826811 5214168 C1CC1C(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 1.468 2 3 0 -8.82573202203777 5214128 C1=CC=C(C=C1)NC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O 1 3.618 2 4 -8.88848834577202 5213974 CC1=C2C(N(C(=O)C2=C(N1C)C)CC3=CC=CC=C3)C(=O)NC4CCCCC4 1 3.225 3 2 -9.85545952056941 5213927 CC(C(=O)NC1=C(C=C(C=C1)Cl)Cl)N2C(=O)C3(CCCC3)NC2=O 1 2.966 3 3 -8.84350085863145 5213850 COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 2.872 2 4 -7.35448976277131 5213759 CCOCCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)CSCC(=O)N3CCOCC3 1 1.785 3 5 0 -16.3311129024566 5213693 CCCCNC(=O)C1(C2=CC=CC=C2NC(=O)N1C3=CC=C(C=C3)Cl)O 1 3.387 3 3 -8.29615915575536 5213585 C1=CC(=CC=C1CCNC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl)S(=O)(=O)N 1 2.661 2 5 0 -15.4823637288529 5213584 C1CCC2(CC1)C(=NC(=S)N2CC#N)NC3=CC(=CC=C3)Cl 1 4.629 4 0 0.850227998847625 5213518 CCNC(=O)C1=CC=CC=C1C2=NC(=NO2)C3=CC=CC=C3OC 1 2.685 3 3 -8.8766288866176 5213395 C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Br)NN=CC4=CC=CC=C4C#N 1 5.464 5 0 8.51459470528093 5213394 C1=COC(=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)Br 1 2.052 4 4 0 -20.6930797745152 5213229 C1=CC(=CC(=C1)Br)C2=C(C(=O)NC(=C2)C3=CC=CO3)C#N 1 2.885 2 2 0.266359499009225 5213185 C1=CC=C(C(=C1)NC(=O)C2=CC=CO2)N(C(=O)C3=CC=CO3)S(=O)(=O)C4=CC=CS4 1 3.333 2 6 0 -13.1746465079423 5213205 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)O 1 1.861 2 6 0 -12.6771694871066 5213189 CC(C(C1=CC=CC=C1)N2CCOCC2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.183 2 2 -4.84906739466601 5213136 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 1.255 4 6 0 -24.8409539068969 5213115 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 0.179 3 8 0 -18.6746518683063 5213081 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C)C(=O)OCC)C 1 3.895 6 5 0 -38.2527758881861 5213071 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 2.533 3 6 0 -26.722126586519 5213053 C1=CC=C(C=C1)C(CC(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C3=CC=CC=C3 1 3.945 2 2 -12.7901331689274 5213036 CC1=C(C(NC(=S)N1C2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)NC(=O)C)C(=O)N4CCOCC4 1 3.87 4 3 0 -20.2795029089686 5213021 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 1.43 4 5 0 -26.1129935801234 5212973 CC1=CC=C(C=C1)N=C2C(=CC3=CC=CC=C3O2)C(=O)NC(=O)C 1 3.175 2 3 -1.58921829356891 5212966 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 1.451 4 4 0 -20.3778862734044 5212947 CCC(C)NC(=O)COC(=O)CC1=C(N=C(S1)N)C2=CC=C(C=C2)C 1 3.005 3 3 -8.23196974411403 5212946 CN(C)S(=O)(=O)C1=CC=CC(=C1)NS(=O)(=O)C2=CC=C(S2)Cl 1 1.68 2 4 0 -2.20170375787906 5212941 C1CC(=O)N(N=C1C(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)F)F)C4=CC=CC=C4 1 3.443 4 2 -7.57480482613204 5212758 CCC1=CC=C(C=C1)C(=O)NN2C=NC3=CC=CC=C3C2=O 1 2.732 3 2 -6.39966238594057 5212734 CCCCC1=C(N2C3=C(C=C(C=C3)OC)SC2=NC1=O)O 1 4.221 2 3 -6.96249614817554 5212642 CC1=CC(=C(C=C1Br)Br)OCC(=O)NN=C(C)CC(=O)NC2=CC=C(C=C2)NC(=O)C 1 2.894 4 4 0 -7.46530446768776 5212601 C1CS(=O)(=O)CC1N(CC2=CC=CO2)C(=O)COC3=CC=C(C=C3)Cl 1 2.016 1 5 -14.4026971339264 5212511 CC1=C(C=C(C=C1)C(C(Cl)Cl)NC(=O)N2CCOCC2)F 1 2.676 2 2 -5.40590471207384 5212505 CCC(=O)N1CCN=C1SCC2=CC(=CC=C2)F 1 3.1 2 1 -10.9920693916168 5212443 C1COC(C2=CC=CC=C21)CNC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl 1 4.043 2 3 -13.0979727377741 5212442 C1COC(C2=CC=CC=C21)CNC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl 1 4.043 2 3 -16.6589313026645 5212354 CCC1=C(SC=C1C(=O)NN2C(=O)C3C4CCC(C3C2=O)O4)C 1 1.025 2 4 0 -6.23821576742307 5212353 CCC1=C(SC=C1C(=O)NN2C(=O)C3CCCCC3C2=O)C 1 2.462 2 3 -7.4601926684678 5212172 CN(C)C(CNC(=O)C1=CC=CS1)C2=CN=CC=C2 1 1.591 3 1 0 -10.2584319834004 5212085 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCN(CC4)CC5=CC=CC=C5 1 3.747 3 4 0 1.9555356418298 5212029 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.104 3 5 0 -16.7618784431925 5211912 C1CCC(CC1)NC(=S)NCC(C2=CN=CC=C2)N3CCOCC3 1 2.804 4 1 -19.6757455257225 5211730 C1COCCN1C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F 1 3.999 2 3 -4.91578007324362 5211687 CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)C3=CC=CC=C3 1 4.774 2 2 -20.6099524291407 5211621 C1COCCN1C2=CC=C(S2)C=NNC3=CC(=CC=C3)Cl 1 4.041 3 1 4.15392594318121 5211599 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NN=C2C(=O)C3=CC=CC=C3C2=O 1 2.84 3 4 0 -12.7643214562395 5211583 C1CCN(C(C1)C(=O)N2CCOCC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 0.847 3 6 0 -19.0421151561605 5211566 CC1=CC(=NC2=C1C3=C(S2)C(C(=C(O3)N)C#N)C4=CC=CC=C4)C 1 3.621 3 1 -1.20012725895084 5211551 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)CC3=CC=C(C=C3)Cl 1 3.541 2 5 0 -21.432565488436 5211462 CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)OC 1 0.966 2 4 0 -21.2194451842401 5211364 CC1=CC2=C(C=C1)N=C(N2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F 1 5.475 3 1 -5.52480853558487 5211314 CC1=CN2C(=NC(=CC2=O)CSC3=NC4=CC=CC=C4C(=O)N3C(C)COC)C=C1 1 2.674 4 3 0 -26.9068664104509 5211265 CCOC(=O)C(=NC1CCS(=O)(=O)C1)NNC2=CC=CC=C2Cl 1 1.755 3 4 0 -6.92008805618519 5211243 COC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-] 1 4.901 3 6 0 -6.96759623635626 5211221 CC(=NNC1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 0.825 8 4 0 -6.90721596088221 5211132 C1=COC(=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 3.423 4 5 0 -18.3670160724544 5211059 C1CC2=C(C1)SC3=NC=NC(=C23)NC4=CC(=C(C=C4)F)F 1 4.539 3 0 -2.27867045643247 5211042 CC1CCN(CC1)CCCNC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCO 1 1.742 6 4 0 0.127646876476271 5210992 C1C2CC3CC1CC(C2)C3NS(=O)(=O)C4=CC=CC=C4 1 2.998 1 2 -3.49645570581669 5210947 COC1=C(C=C(C=C1)Cl)C(=O)NCCCN2CCOCC2 1 1.574 2 3 0 -8.60319467659311 5210919 CCOC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2CCCC2 1 -0.801 1 4 0 -8.00062791485688 5210885 C1=CC=C(C=C1)S(=O)(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=CS4 1 3.149 3 3 -11.7633359263793 5210875 COCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N(CC=C)C3=CC=CC=C3 1 1.561 3 5 0 -28.4078262641033 5210786 C1CCN(C1)CCCOC2=C(C(=CC=C2)Cl)Cl 1 3.804 1 1 5.68302724334553 5210777 CC1CCC(=NNC(=O)CC2=CC=CN2C)CC1 1 2.286 3 1 -12.2643100130315 5210714 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)COC4=CC=C(C=C4)N(C)C(=O)C5=CC=CC=C5 1 3.894 3 3 -4.62648462119748 5210685 CCOC(=O)C(=NCCCN1CCOCC1)NNC2=CC=CC(=C2)C(F)(F)F 1 2.414 4 3 0 0.593799201606276 5210680 CC(C(=O)NN)NC1=CC=C(C=C1)Cl 1 1.149 3 1 0 -5.05746189618098 5210678 CCCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1CC 1 3.783 2 2 -28.8945599030231 5210659 CC1=NC(=C(C=C1)OCC(=O)NCC2=CC=CC=C2OC)[N+](=O)[O-] 1 2.006 3 5 0 -14.0552731425248 5210656 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN=NN3C 1 1.13 5 3 0 -21.4712584926858 5210577 COC1=CC=C(C=C1)OC2C(N(C2=O)CCC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)C(=O)OC 1 4.356 1 7 0 -6.3515269091243 5210552 C1CC(CCC1CNCC2=CC=NC=C2)C(=O)O 1 -1.115 2 2 0 -6.12914804492643 5210526 CNC(=O)CN1C(=O)C2(CCC3=CC=CC=C3C2)NC1=O 1 0.639 3 3 0 -8.64766597399696 5210485 CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCC3=CN=CC=C3 1 2.843 2 4 -11.7871581935446 5210323 CC1=CC=C(N1C2=C(C=CC(=C2)OC)OC)C3=CC=C(C=C3)S(=O)(=O)C 1 4.154 1 4 -8.17415790226351 5210304 CN1C2=CC=CC=C2N=C1N=NC3=CC=CC=C3 1 4.462 4 0 8.63813394997727 5210300 CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=CC(=CC=C3)Cl 1 1.979 4 2 0 -5.60821895045474 5210287 COC1=CC=C(C=C1)C2=C(C=C(C=C2)OC)C(=O)OC 1 3.171 0 4 -2.08615110285506 5210284 CC1=NC2=C(C(=NN2C(=C1)Cl)C)C3=CC=C(C=C3)Cl 1 3.724 3 0 0.673133727053078 5210197 C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=NC=CS3 1 1.529 2 3 0 -7.27734879793682 5210128 CCC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)OC)C 1 3.771 3 2 -6.15440971007237 5210127 CCOC(=O)NN=CC1=C(N(C(=C1)C)C2=CC=CC=C2)C 1 3.178 3 2 -6.62271183927875 5210018 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=NC5=C(S4)C=CC(=C5)Cl 1 3.815 4 3 0 -10.3897909418466 5209980 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=N3)C 1 2.779 2 2 -11.7793166140495 5209962 CCN(CC)C(=S)SC(C(Cl)(Cl)Cl)NC=O 1 3.813 2 1 -7.35784160989525 5209835 CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)N(C(=O)C1=O)CC 1 1.928 3 4 0 -16.0623300341822 5207778 C1=CC=C(C=C1)P(=O)(C2=NC=CN2C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Br)O 1 4.507 3 3 -5.67943002991924 5207774 C1COCCN1C(CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CS3 1 2.882 3 4 0 -13.4352338225491 5207755 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)COC3=CC=CC=C3 1 1.734 3 5 0 -20.067127667553 5207751 CCC(C)C(=NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)C 1 5.326 3 1 -11.9506797645991 5207690 CC(=NNC(=O)OCC1=CC=C(C=C1)OC)CC(=O)NC2=CC=C(C=C2)Cl 1 3.165 3 4 0 -4.87492601852815 5207633 CCOC(=O)CC(C1=CC=C(C=C1)C)NC(=O)C2=CC=C(C=C2)C 1 3.926 1 3 -11.6838974104163 5207632 CCOC(=O)CC(C1=CC=CC=C1Cl)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 4.878 1 4 -11.6391026312484 5207628 C1CN2CC3CN1CC(C2)(C3=NNC(=O)C4=CC=CC=C4F)C5=CC=CC=C5 1 2.431 4 1 -7.25510552941256 5207625 C1CC2CN(CCN2C1)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CC=C5)C(F)(F)F 1 3.71 5 1 -6.69471739119238 5207616 CC(C)(C)C(=O)NC1(C(=O)N2CCSC2=N1)C(F)(F)F 1 2.467 3 2 -12.6059059747901 5207605 CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(C)C3CCS(=O)(=O)C3 1 1.29 3 5 0 -32.1094612554126 5207567 C1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCC3=CC=CC=N3 1 0.533 3 3 0 -13.7342578204083 5207541 CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC4=CC=CC=C4C)N=N2 1 3.831 5 1 -8.6970425099063 5207532 CC1CN(CC(O1)C)C2=CC(=O)N(C(=O)N2)C3=CC=C(C=C3)C 1 2.447 3 3 -6.57928540859752 5207529 CCOC(=O)CNC(=S)N(CC1=CC=CS1)C2CCCCC2 1 4.431 2 2 -15.1355579705841 5207526 CC1=C(C=C(C=C1)C2=CC=C(O2)C=NO)[N+](=O)[O-] 1 3.242 2 4 2.50519616228537 5207513 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCOCC3)C 1 1.604 2 4 0 -22.4371417434037 5207470 CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)NCC2=CC=CO2)C 1 1.542 2 5 0 -19.2228082552262 5207465 CC1=CC=CC=C1N2C(=O)C=C(NC2=O)N3CCC4=CC=CC=C43 1 3.752 3 2 -7.15349793941269 5207438 C1=CC(=CN=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)Br 1 3.768 1 2 -4.31017395697525 5207431 C1CC2=CC=CC=C2C(=NNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])C1 1 2.81 4 4 0 -11.7989091904253 5207405 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)N(C)C4CCCCC4)[N+](=O)[O-] 1 3.325 5 5 0 -18.8197136016016 5207404 CC(=O)NC(CC(=O)OCC(=O)N1CCC2=CC=CC=C21)C3=CC=CC=C3 1 1.858 2 4 0 -18.4729301120779 5207394 CCOC1=CC=CC=C1OCCCC(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 1.964 4 5 0 -16.7689358281609 5207383 CC1CC1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 1.387 3 4 0 -17.4180971628515 5207331 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)COC(=O)CC2=CC=C(C=C2)Cl 1 1.726 2 5 0 -12.4724723247091 5207289 CC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=C(O3)[N+](=O)[O-] 1 1.243 4 5 0 -9.88331383883647 5207253 CCOC(=O)C1=C(SC=C1)NC(=O)C2=CC=CO2 1 2 1 4 0 -8.81233744967295 5207224 CC(C(=O)NC1=CC(=CC=C1)Cl)NNC(=O)CNC2=CC=CC=C2OC 1 1.975 4 3 0 -9.47905181355433 5207073 COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4 1 2.76 4 3 0 -1.63238273612871 5207024 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(N3CC)C4=CC=C(C=C4)OC 1 3.344 7 4 0 -16.4713538713104 5206945 C1=CC=C(C(=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NCC3=CC=CO3)F 1 1.302 4 4 0 -28.0481286753177 5206923 CC1=CC=C(C=C1)CNC2=NC(=O)C(S2)CC(=O)NCCC3=CC=CC=C3 1 3.723 3 2 -16.5118277415486 5206915 CC1=CC(=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)N(C)C2=CC=CC=C2)C 1 3.044 2 4 -12.8540979287773 5206893 CNC(=S)N(CC1=CC=C(C=C1)OC)C2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl 1 4.121 3 3 -7.00986898643518 5206851 COC1=CC=C(C=C1)C(=O)N2C(OC(=O)C3=CC=CC=C32)C4=CC5=C(C=C4)OCO5 1 4.029 1 6 0 -5.89650237524061 5206844 COC1=C(C=C(C=C1)NC(=O)CCC(=O)C2=CC=CS2)S(=O)(=O)NC3=CC=C(C=C3)Cl 1 3.659 2 5 0 -11.3530549366793 5206814 CC1=C(C=C(C=C1)NC(=S)N2CCCC2)Cl 1 4.659 2 0 -9.83341220686011 5206806 CCCCSCC1=C(N2C=CC=CC2=N1)Br 1 3.645 2 0 -2.45689906250896 5206760 CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C4CC4C5=CC=CC=C5)SC2)C(=O)O 1 0.999 6 4 0 -23.7628271060389 5206687 C1=CC=C(C=C1)OCC(=O)NCC2=CC=CS2 1 2.196 1 2 -11.7438811135601 5206655 COC1=C(C=C(C=C1)CCNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC 1 2.5 3 5 0 -24.8111212054987 5206473 CCOC(=O)N1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCO 1 0.934 6 6 0 1.30648173586343 5206472 CC(=NOCC(=O)NN1C(=O)C2=CC=CC=C2NC1=O)C3=CC=CS3 1 1.255 4 4 0 -11.61619536342 5206420 CC(=NNC(=O)C1=CC(=C(C=C1)OC)OC)C2=CC=CC=N2 1 1.909 3 3 0 -10.7075428495745 5206389 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3)S(=O)(=O)N(C)C 1 1.203 3 6 0 -22.0873270423146 5206302 C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.733 3 3 -15.1572539068012 5206249 CCC1=CC(=C(S1)SCC)C=O 1 3.078 0 1 -5.13100117192456 5206224 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 3.096 2 5 0 -14.4207348039167 5206222 CC(=NOCC1=CC=C(C=C1)C#N)C2=CC=CC=C2 1 3.138 2 1 -3.63060553781916 5206092 C1C(OC2=CC=CC=C2O1)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5 1 3.099 2 5 0 1.08504250715601 5206074 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CN(C)C 1 1.823 3 3 0 -8.90794854313329 5205933 CCCC1=CC(=CS1)C(=O)NNC(=S)NC(C)C2=CC=CC=C2 1 4.311 3 1 -10.5270683784557 5205913 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)C 1 2.468 3 5 0 -12.2262032308212 5205912 CC(C)CNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 1.563 4 6 0 -21.0167469906045 5205900 COC1=C(C=C(C=C1)C=NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCC4)[N+](=O)[O-] 1 3.284 8 3 0 -6.0973257221207 5205813 CC1(CC(=O)C(=CNC2=CC(=C(C=C2)O)NC=C3C(=O)CC(CC3=O)(C)C)C(=O)C1)C 1 1.975 2 5 0 -8.04532586985125 5205729 CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC)C 1 2.188 4 6 0 -30.1877930296099 5205672 CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=NC=C2 1 4.792 1 3 -7.01266753318179 5205567 COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC 1 0.758 2 8 0 -21.3958857167603 5205330 COC1=C(C=C2C(N(CCC2=C1)C(=O)CCC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])OC 1 2.556 2 7 0 -27.4566618424889 5205323 CCOC1=CN=C(O1)C(=O)NNC(=O)C2=CC=CC=C2Br 1 1.38 3 4 0 -5.48877948397078 5205309 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN(CC(C)C)CC(C)C 1 4.312 2 5 0 -19.1771049163998 5205195 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C 1 1.313 5 4 0 -19.5875166788964 5205015 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2NC(=O)C3=CC=CS3)OC)OC 1 3.411 2 6 0 -22.8700296814994 5204946 CC(C1=NN(C=C1)S(=O)(=O)C2=CC=C(C=C2)Br)OC3=CC(=C(C=C3)C4=CC=CC=C4)F 1 6.37 2 3 1.31345584335337 5204874 C1=CN(C=C1)C2=CC=C(C=C2)C3=NC(=NC=C3)N 1 2.648 4 0 2.54102654853047 5204872 CCOC(=O)C1=NOC(C1)CNC(=O)C2=NOC(C2)CNC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C 1 1.52 5 7 0 -16.1351622721487 5204639 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)C3=CC=C(C=C3)N4C=CN=C4 1 2.804 5 4 0 -11.2445689091445 5204620 COC(=O)C1=CN(C2=CC=CC=C21)C(=O)C3=CC(=CC=C3)Br 1 4.381 1 3 -0.692010693935877 5204616 C1CCC(CC1)NC(=O)CCC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.798 2 2 -13.0123138616592 5204594 CC(C)C(=O)NC1=C2CSCC2=NN1C3=CC=C(C=C3)F 1 3.153 3 1 -5.33640112899224 5204592 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 2.38 4 5 0 -9.87977044574564 5204584 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCCO4)C 1 4.12 2 7 0 -24.9900515301201 5204536 C1=CC=C(C=C1)C(=O)NN=C(CCC(=O)O)C2=CC=CS2 1 2.462 2 3 -12.1948872512919 5204458 COC1=CC=C(C=C1)NC(=O)CSC2=NC(=NS2)SC 1 2.924 3 2 -10.5121881643639 5204362 C1CS(=O)(=O)C2=C(C1=NNC3=CC=C(C=C3)F)C=CS2 1 2.881 2 2 -4.38553199980155 5204354 CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)C 1 3.417 3 5 0 -17.7781658980256 5204350 CC(CNS(=O)(=O)C1=CC=CC=C1)SC2=NN=CN2C 1 1.42 4 2 0 -14.9248797497222 5204342 CC1=CSC2=NC=C(C(=O)N12)C(=O)NC(C)C3=CC=CC=C3 1 1.524 3 2 0 -14.104548519741 5204183 COC(=O)C1=CC=CC=C1NC(=O)CNC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 1.14 3 6 0 -26.7099598931735 5204153 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)C(=O)NC4=O 1 0.767 4 7 0 -26.4817390100062 5204148 CC1=C2C(=C(C=C1)OC)N=C(S2)NC(=O)C3=COCCO3 1 1.623 2 4 0 -6.64453067401133 5204147 C1CC(=O)N(C(=O)C1)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 1.19 3 5 0 -9.68660562945191 5204145 CCN(CC(=C)C)C1=C(C=C(C=C1)N2C(=O)CCCC2=O)[N+](=O)[O-] 1 2.914 3 4 0 -14.0050952755363 5204138 COC1=NC=C(C=C1)NC2=C(C=C(C=C2)N3C(=O)CCC3=O)[N+](=O)[O-] 1 1.806 4 5 0 -11.4150310209097 5204135 CC1=CC(=C(C=C1)C)CN2C(=O)COC3=C2C=C(C=C3)C(=O)C4=CC=CC=C4C(=O)O 1 4.415 1 5 -5.47341681444149 5204001 COC(=O)C1=C(C=CS1)NC(=O)C2=CC=C(C=C2)Cl 1 3.087 1 3 -6.82485687417208 5203987 C1COC(=CO1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC4=CC=CC=C4 1 3.032 2 4 0.655613405811616 5203986 C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)CC#N 1 1.37 4 2 0 -13.5920192719929 5203969 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3F 1 2.323 2 4 -19.4303773208062 5203819 CC(C)N1C(C(=O)N(C1=O)C2=CC(=CC=C2)OC)CC(=O)NC3=CC=C(C=C3)OC 1 2.541 3 5 0 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COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3)CC4=CC(=O)NC(=O)N4 1 1.118 6 4 0 -24.3511521237144 5201794 CCC(C)NC(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)SC=C2 1 4.06 3 3 -35.0585433773525 5201780 CC1=C(N(C(=N1)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F)OC)O)C(=O)C 1 0.639 3 5 0 -7.54557387124228 5201778 CC1=C(N(C(=N1)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F)O)C(=O)C 1 0.655 3 4 0 -3.53088774015697 5201776 CC1=C(N(C(=N1)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3)O)C(=O)C 1 0.45 3 4 0 -4.39941890399557 5201771 CC1(NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CC=C3)C 1 1.804 3 2 0 -9.03388283603595 5201576 CCCCC1=NN(C2=C1C(=O)CCC2)C3=C(C=CC(=C3)Cl)OC 1 4.957 2 2 -3.89886370245651 5201553 COC1=CC2=C(C=C1)C=C(C(=NNC(=O)C3=CC=CO3)O2)C(=O)N 1 1.334 3 5 0 -7.64960743680801 5201542 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=C4C(=O)N(C(=C(C#N)C#N)S4)C5=CC=C(C=C5)F 1 4.909 6 1 0 4.81147518521713 5201541 C=CCN1C(=O)C(=CC2=CC=CC=N2)SC1=C(C#N)C(=O)NCC3CCCO3 1 1.686 4 3 0 -18.9349188410877 5201533 CCN1C(=NN=C1SCC(=O)NC2CCCC3=CC=CC=C23)C4=CC=CS4 1 4.369 4 1 -17.35608626876 5201463 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4C=CN=C4)C(=O)NCCC5=CC=CC=C5 1 1.409 7 2 0 -19.5032208338678 5201260 C1CCN(C1)C(C2=CC=C(C=C2)Cl)C3=CC(=C4C=CC=NC4=C3O)Cl 1 5.249 2 1 3.82571079536459 5201256 CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCCN5CCCC5)C(=O)NC6=CC(=CC(=C6)C)C 1 3.367 4 4 0 -2.91560389327995 5201242 CC1CCCCN1C(=S)NC(=O)C2=CC=CS2 1 3.695 2 1 -11.5986931928348 5201232 C1COC(=CO1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F 1 3.561 1 5 -16.7640414664419 5201217 CCCCCCCC(=O)NN=C(C)C1=CC=C(C=C1)N 1 3.2 3 1 -10.2125073814011 5201116 C1CN(CCC1C(=O)N)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)F 1 2.059 5 3 0 -9.25030265225153 5200926 C1CCC(CC1)(C(=O)NC2CCCC2)N(CC3=CC=CS3)C(=O)C4=NC=CN=C4 1 3.084 4 2 -21.4611429636461 5200925 C1CCC(CC1)(C(=O)NC2CCCC2)N(CC3=CC=CS3)C(=O)C4=CNC(=O)C=C4 1 2.763 3 3 -22.1710401405647 5200907 CC1=CC(=NC2=NC(=CN12)CSC3=CC=C(C=C3)Br)C 1 3.839 3 0 1.44626031920105 5200904 CC1CCCC(N1C(=O)CSC2=NC=CC=N2)C 1 2.051 3 1 -10.7336421911179 5200900 CC1=C(C=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C)C 1 3.709 5 2 0 1.44307243599894 5200879 CC1=C(C2=C(N1)C=CC(=C2)F)CCNC(=O)C3CCCCC3C(=O)OCC(F)(F)F 1 4.467 2 3 -5.81654871348775 5200852 CC1=NC2=CC=CC=C2N1CC(C3=CC=CC=C3)O 1 2.885 2 1 1.28795680455802 5200803 C1CC(OC1)CNC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 0.722 3 7 0 -23.825732390138 5200787 CC1=CC(=CC=C1)NC2=NC(=O)C3=C2C=CC(=C3)[N+](=O)[O-] 1 2.874 3 3 3.02043903550933 5200774 C1COCCN1N=C2CC(OC3=CC=CC=C23)C4=CC=CC=C4 1 2.762 2 2 0.535893262738979 5200725 CCC(C)(C(=O)NC1CCCC1)N(C2=CC=C(C=C2)C)C(=O)CC3C(=O)NC(=O)N3 1 2.333 4 4 0 -25.8200639134927 5200704 COC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CN2 1 2.309 1 4 -7.04480185124828 5200661 CC(C)C1=CC=CC=C1NC(=S)NCCCN2C=CN=C2 1 3.51 4 0 -6.79635120273251 5200634 CC1=C(C(NC(=O)N1)C2=CC=CC3=CC=CC=C32)C(=O)OCCBr 1 2.783 2 3 -25.4771591638795 5200549 CCCCCC(=O)NN=CC1=CC=C(C=C1)N(C)C 1 3.216 3 1 -12.1656820772295 5200543 CC1=C(C=C(C=C1)NC(=O)COC2=C(N=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3 1 1.023 4 7 0 -21.1848188196809 5200501 CC1=CC(=CC=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)CCCNC(=O)C)CC3=CC=CC=C3 1 2.161 5 4 0 -18.4983519195958 5200231 C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(N=N3)CC(=O)O 1 2.553 4 3 0 -2.80046897344337 5200230 C1=CC(=CC(=C1)N)CCC2=CC=NC=C2 1 2.363 2 0 1.79411083768765 5200206 CCOC(=O)/C(=C/NC1=CC=CC=C1)/[N+](=O)[O-] 1 1.585 2 4 0 -2.27423932260484 5200023 C1C(OC2=CC=CC=C2O1)C3=NNC(=S)N3N 1 1.177 4 2 0 -4.09574983761049 5199976 C1CN(C(=N1)SCC2=CN=CC=C2)C(=O)C3=CC=CC=C3F 1 2.946 3 1 -11.6830865302629 5199954 CC1=C(N2C=CC=CC2=N1)C(=O)NN=C(C)C3=CC=C(C=C3)C(C)(C)C 1 3.515 4 1 -4.95508350708293 5199936 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5 1 4 4 3 0 -7.40933793398874 5199919 CC(C)CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NNC2=O 1 2.713 4 2 -9.96428762054818 5199866 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)C4=CC=CC=C4 1 3.174 3 3 -14.0452925341674 5199859 CC(C)CC(=O)NN=C(C)C1=CC=C(C=C1)N2CCCCC2 1 3.453 3 1 -8.73042482703585 5199586 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN(C)CC2=CC=CC=C2)Cl 1 2.321 3 3 -9.82065694575654 5199583 CC(=NOCC(=O)NCC(F)(F)F)C1=CC2=CC=CC=C2O1 1 2.338 2 3 -6.24868597610803 5199554 CC1=C(C=C(C=C1)NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F)S(=O)(=O)N3CCCCC3 1 2.31 3 4 0 -17.7018157673979 5199439 CCCC1=C(C(=O)NN1)C(C2=CC=C(C=C2)Br)C(C#N)C#N 1 2.427 4 1 -3.62870724666385 5199427 CC1CCCCC1NC(=O)CCN2C(=O)C3C4CC(C3C2=O)C=C4 1 1.596 2 3 0 -14.5234518664296 5199426 CC1CCC(CC1)NC(=O)CCN2C(=O)C3C4CC(C3C2=O)C=C4 1 1.528 2 3 0 -13.7327565049217 5199423 C1CN(C2=CC=CC=C21)C(=O)CCN3C(=O)C4C5CC(C4C3=O)C=C5 1 1.275 2 3 0 -13.6636492202268 5199407 CC1=CC=C(C=C1)OCC(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 1 2.396 1 4 -16.1472392738468 5199379 COC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC=CC=C4C=C3 1 3.71 3 1 5.84090893078565 5199378 CCN(CC)C1=CC2=CC(=C(C#N)C#N)CCC2CC1 1 3.11 3 0 -3.16598571850923 5199339 CS(=O)(=O)N1CCSC1C2=CC=C(C=C2)Br 1 2.334 1 2 -14.5662377496377 5199136 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=N4 1 2.622 3 3 -2.76550860921066 5199132 COC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)OC 1 5.612 3 3 -6.78284952024225 5199037 C1C(CC(=O)C(=CNC2=CC=C(C=C2)Br)C1=O)C3=CC=CO3 1 2.782 1 3 -11.7275725496325 5198891 CC1CCN(CC1)C(=O)CCN2C(=O)C3C4CC(C3C2=O)C=C4 1 0.793 2 3 0 -13.3567449275525 5198858 C1=CC=C(C(=C1)CN2C=CC=C2C(=NO)N)[N+](=O)[O-] 1 1.968 4 3 0 -2.49619291312068 5198795 COC1=CC=C(C=C1)N2C(=O)C(N(C2=O)CC3=CC(=C(C=C3)OC)OC)CC(=O)NC4=CC=CC=C4 1 3.382 3 6 0 -18.4130000947638 5198758 CSC(=NNC(=O)C1=CC=C(C=C1)O)SC 1 2.632 2 2 -2.87316178848308 5198713 CN1C(=NN=C1SCC(=O)N(C)C2CCS(=O)(=O)C2)C3=CC=CC=C3 1 1.181 4 3 0 -21.4188618896026 5198517 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=CC=CC=C4 1 1.662 3 5 0 -20.724111427445 5198516 CC(=O)NC1=CC=C(C=C1)SCC(=O)N(C)C2CCS(=O)(=O)C2 1 0.265 2 4 0 -19.4921696408823 5198374 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43 1 1.91 4 4 0 -22.300019292296 5198266 CC1=CC=CC=C1NNC(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)F 1 3.966 3 3 -8.50384045975211 5198195 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NC2=CC3=C(C=C2)C=NN3 1 3.613 5 2 0 -13.6530326481604 5198063 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NC4=CC=CC=C4C=C3 1 2.034 3 4 0 -21.6585102297999 5198035 C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.888 4 7 0 -19.1695053913458 5197933 CC1CCCC(C1C)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F 1 2.184 2 6 0 -27.6807524392851 5197846 CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O 1 2.331 2 5 0 -15.6996075186984 5197840 CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.357 2 7 0 -29.089107909567 5197642 CCCCOC1=CC=C(C=C1)CC2=NNC(=S)N2N 1 2.751 4 1 -8.91856577907342 5197630 C1CC(OC1)CNC(=O)C2CCC(=O)N2CC3=CC=C(C=C3)F 1 1.178 2 3 0 -15.1805814161885 5197629 CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4 1 3.106 4 1 -14.194470346579 5196245 CC1=CC(=O)N=C(N1)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.966 5 3 0 -12.2490220413441 5196230 C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CC4=CC=C(C=C4)Br 1 3.671 1 3 -10.1474734205897 5195902 CCOC1=CC=C(C=C1)NC(=O)N(CC2=CC=CO2)C(C)C3=CC=CS3 1 4.057 2 3 -3.70923713690004 5195773 C1CCN(CC1)C(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.549 2 2 -8.02678313508702 5195707 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OCCN4CCOCC4)OC)C(=O)C1)C 1 2.104 3 5 0 -23.1953397498705 5195682 CNC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2 1 1.723 4 2 0 -15.5996706668493 5195681 COC1=CC(=CC(=C1OC)OC)C2C(=C(OC3=C2C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)N)C#N 1 5.11 4 4 0 -5.47228269122811 5195677 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4 1 1.893 3 3 0 -27.7928422114606 5195673 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC=C(C=C3)OC 1 3.113 2 5 0 -9.7263476981828 5195635 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)NC1=S 1 3.718 4 3 0 -2.50353362342735 5195633 CC1CCCCC1NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S 1 4.861 3 2 -17.6620253167289 5195616 CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Cl)C 1 4.349 6 3 0 -10.2094829734197 5195579 CCOC(=O)CCCSC1=NN=C(O1)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 4.112 3 5 0 -20.8220526808799 5195485 COC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC=C2 1 2.017 3 3 -29.0286873968631 5195448 CC1=C(C(C(=C(O1)N)C#N)C2=CC=CC3=CC=CC=C32)C(=O)C 1 2.398 2 2 -9.8881714978803 5195361 CC1=CC=C(C=C1)CNC2=C(C=CC=N2)C3=NC4=C(O3)C=CC(=C4)Cl 1 5.212 3 1 8.50705671568125 5195355 CC(C)CCNS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NCCC(C)C 1 4.331 2 4 -6.24576167399447 5195277 CCOC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C 1 2.323 2 4 -8.5725343060657 5195263 CC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)OC 1 1.903 2 5 0 -16.1298258658358 5195245 CC1=C(C(C2=C(N1)NC(=S)NC2=O)C3=CC=C(C=C3)O)C(=O)OC 1 1.77 3 4 0 -23.2828162586965 5195223 CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-] 1 4.5 2 6 0 -11.6668978768997 5195221 CC1=CC(=C(N1CC=C)C)C2=NN=C(SC2)NCC=C 1 2.971 4 0 -10.5757552729821 5195220 CCOC1=CC=C(C=C1)C=NOC(C)C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.923 2 5 0 -9.7456740296323 5195207 CN(C)C(=O)C1=CC2=C(C=C1)NC(C3C2C4CCC3C4)C5=CC=CC=C5 1 3.983 2 1 -4.97820263406848 5195119 CCN1C(=O)CSC2=C1C=C(C=C2)C(=O)NCC3=CC=C(C=C3)OC 1 2.508 2 3 -13.8509418878396 5195118 CCN1C(=O)CSC2=C1C=C(C=C2)C(=O)NCC3=CC=CC=C3OC 1 2.508 2 3 -15.9651997189055 5195100 COC1=CC(=C(C=C1)OC)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC(=CC=C6)O)S5 1 5.809 2 4 -12.2643482331063 5195087 CC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2C3CCCCC3)C4CCCC4 1 3.996 2 2 -7.50075643081549 5195048 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)N3CCOCC3 1 0.513 2 3 0 -18.0098945011463 5195008 CC1=CC=C(C=C1)C2CC2C(=O)NNC(=S)NC3=CC=C(C=C3)Cl 1 4.802 3 1 -3.99284020437781 5195007 CN1C=C(C(=N1)C(=O)N2C(CC(=N2)C(F)F)(C(F)F)O)Br 1 1.708 4 2 0 -2.78488640823384 5194849 CCCC=NNC(=O)C1=CC(=CC=C1)Br 1 2.783 2 1 -5.83755046228026 5194800 CC(=NOCC1=CC=C(C=C1)C#N)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 2.255 3 3 -8.81744216554666 5194722 C1=CC(=CC=C1NC(=O)NC2=CC3=C(C=C2)NC(=O)N3)[N+](=O)[O-] 1 1.28 5 4 0 -13.4072066260353 5194709 CCOC(=O)C1C(N=C(NC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br 1 3.557 2 3 -7.69603225286898 5194708 COC(=O)C(CCSC)NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)F 1 0.525 2 5 0 -21.9855213060854 5194707 CC1=NN(C(=O)N1N(C)C2=C(C=C(C=N2)C(F)(F)F)Cl)CC3=CC=C(C=C3)Cl 1 4.669 5 1 1.15655565022828 5194562 CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)F 1 3.73 2 3 -7.18383507358442 5194462 CC1=C(N=C2N1C=CC=C2)C(=O)NN=C(C)C3=CC4=CC=CC=C4O3 1 2.71 4 2 -6.5482614431723 5194408 CC1=CC(=NNC(=O)C2=CC=CS2)CC(C1)(C)C 1 3.242 2 1 -10.600173737344 5194406 CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=NNC3=CC=CC=C32 1 2.85 3 4 0 -17.9177258088205 5194365 C1CCNC(=O)C(C1)NC(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)NC(=O)C6=CC=C(C=C6)F 1 2.181 5 4 0 -22.9422162677348 5194176 CN1C2=CC=CC=C2SC1=NNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.149 3 4 0 -10.3246428098595 5194142 CC1=CC(=C(C=C1)C)NC(=S)NC(C)C(C2=CC=CC=C2)N3CCN(CC3)C 1 5.57 4 0 -7.3268518605704 5194037 CC1=CC=C(C=C1)C(=O)NCCONC(=O)C2=CC=C(C=C2)C 1 2.713 2 3 -6.78723638647439 5194036 C1=CC(=CN=C1)C2=C(SC3=C2N=CC(=C3)C(F)(F)F)C(=O)NN 1 2.081 4 1 2.78206975196011 5194034 C1=CC=C2C(=C1)C=CC=C2C(CC(=O)O)N3C=CC=C3 1 3.379 1 2 -4.908703800349 5194005 CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N3CCCN(C3=N2)CCC4=CC=CC=C4 1 1.476 5 4 0 -14.4636363463514 5193999 C1CC2CC1C3C2C(=O)N(C3=O)CC4=CC=CO4 1 1.32 1 3 0 -6.98838939587014 5193968 CC(C)C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N3CCOCC3 1 3.693 1 3 -6.14418563432641 5193847 COC1=C(C=C(C=C1)CCNC(=O)CCC(=O)NC2CCCCC2)OC 1 2.527 2 4 -19.8951940437498 5193836 CNC1=NC(=NC2=CC=CC=C21)SC 1 2.326 3 0 0.390539385807299 5193829 CCNC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.423 3 1 -4.64190808641142 5193797 CC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)OC)N=C1C 1 2.627 3 2 -5.84973784281253 5193720 COC(=O)CN1C(=O)C2(CCCC3=CC=CC=C32)NC1=O 1 1.421 2 4 0 -5.01816817490659 5193716 CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3 1 2.842 4 1 -7.23365352600322 5193681 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O 1 1.416 2 7 0 -24.1712747592625 5193636 CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4)C(=O)N(C1=O)C 1 1.958 4 4 0 -13.6387026833384 5193479 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3C(=O)C(NC3=O)CC(C)C 1 1.912 4 6 0 -17.7658570347221 5193459 C1C(C(CN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 5.563 1 1 3.12225480193729 5193458 CC1=CC=C(C=C1)OC2=NC=C(C=C2)C=NOCC3=C(C=C(C=C3)Cl)Cl 1 6.043 2 2 6.7543742617399 5193287 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Br)C3=NC=CN=C3 1 2.269 6 1 0 -15.7811347466772 5193249 COC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 3.152 2 3 -5.35681355654422 5193236 CCOC1=CC=CC=C1NC(=O)CN2C(=O)CSC(C2=O)C 1 0.984 2 4 0 -17.2157630036815 5193187 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=N3)C 1 2.049 3 4 0 -20.2712447709501 5193186 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.652 3 5 0 -16.2562865079779 5193134 CC1=CC(=CC(=C1)NC(=O)COC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C 1 1.216 5 5 0 -22.2489634014231 5192972 COC1=CC=C(C=C1)NC(=S)N2CCC(C2)C3=CC=CC=C3 1 4.844 2 1 -6.42802192021814 5192953 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NC(=O)C4=CC=CO4 1 1.816 4 6 0 -21.9128479524963 5192945 CC(C)(C)OC(=O)NCCC1=NN=C(O1)SCC(=O)NC2=CC=C(C=C2)Br 1 2.815 4 4 0 -24.6704370408929 5192927 CC(C)NC(=S)NN=C1CCCC2=CC=CC=C21 1 3.719 3 0 -14.3625061634969 5192816 CON=CC1=CC(=C(C=C1)SC2=CC=CC=C2N)[N+](=O)[O-] 1 2.962 3 3 -0.736175525223206 5192815 COC(=O)C(C1=CC=CC=C1[N+](=O)[O-])C(=O)OC 1 1.446 1 6 0 -8.16901711611411 5192797 CC1=C(C(=CC=C1)C)NC(=S)N2CCC(C2)C3=CC=CC=C3 1 5.833 2 0 -6.44242688746492 5192794 CSC1=CC=CC(=C1)NC(=S)N2CCC(C2)C3=CC=CC=C3 1 5.402 2 0 -4.00997008836405 5192739 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)Cl 1 3.654 2 2 -3.66427826841788 5192726 CC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)O)C#N)N)C3=CC=CC=C3 1 2.482 2 3 -8.18806706100189 5192579 CC1CCCC(N1C(=O)COC(=O)CC2=CC=C(C=C2)F)C 1 2.863 1 3 -10.3044302191428 5192558 CCCCC(=O)C1=C(CC(CC1=O)(C)C)N2CCCC2 1 3.115 1 2 -13.6411841715106 5192547 CC(C)CC(C(=O)OCC(=O)NC1=C(C=C(C=N1)Cl)Cl)N2C(=O)C3=CC=CC=C3C2=O 1 3.639 3 5 0 -12.7487687330609 5192509 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 0.19 2 6 0 -24.4020773488506 5192400 C1=CN2C=C(N=C2N=C1)CN=[N+]=[N-] 1 1.098 6 0 0 -1.96169564402784 5192379 C1=CC=C(C(=C1)CC[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)F 1 3.186 2 3 -4.04087789033166 5192359 C1=CC=C(C(=C1)NC(=O)CS(=O)C2=CC=C(C=C2)F)Cl 1 2.766 1 2 -6.09931394398497e-002 5192337 CC1CCCCC1NC(=O)COC(=O)COC2=CC=C(C=C2)Cl 1 3.422 1 4 -13.0544518385137 5192235 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C(=O)C)C 1 2.598 2 3 -4.4788089433565 5192176 C1CCC(CC1)NC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=S 1 3.583 3 2 -14.5238653502838 5192174 CC1CCCCC1NC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=S 1 3.902 3 2 -17.5582698579042 5192133 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)CN3C4=CC=CC=C4N=C3C(F)(F)F 1 3.029 3 5 0 -12.2028815141302 5192094 CCSC1=NN=C(S1)NC(=O)C(C)SC2=NC3=CC=CC=C3N2 1 3.455 5 1 -14.2111476416658 5192052 CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CO3 1 0.553 9 3 0 -23.5639129186741 5191970 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)F 1 2.47 2 4 -12.5333986192225 5191902 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)F 1 1.401 3 6 0 -25.2357245451529 5191706 CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)N(C)C)N)C#N 1 2.19 4 1 -19.0837400229538 5191672 CC(C)(C)C1=CSC(=N1)NNC(=O)C2=CC=C(C=C2)Br 1 3.574 3 1 -1.91182923183908 5191592 CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.148 2 0 1.91123010610952 5191568 CC(C(=O)NC1=CC=CC=C1)SC2=NN=C3N2C(=NC4=C3COC(C4)(C)C)C5=CC=C(C=C5)OC 1 4.387 5 3 0 -16.0591546461093 5191547 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F 1 2.613 2 5 0 -12.5625985402696 5191546 CCC(=NNC(=O)OC)C1=CC=C(C=C1)OC(F)F 1 3.115 2 3 -4.75630630454865 5191508 CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N 1 3.759 4 3 0 -12.0271337970504 5191486 CCOC(=O)CC(=NNC(=O)NC1=CC=CC=C1)C 1 1.283 3 3 0 -7.56531633584583 5191473 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)OCC(=O)N4CCOCC4)OC 1 2.965 3 5 0 -12.6422838883667 5191412 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CC=C(C=C3)O 1 2.978 4 4 0 -7.70203161775301 5191384 CCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.761 3 4 0 -7.22280704317341 5191268 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-] 1 3.148 1 7 0 -11.7251235259326 5191238 CCN1C(=NN=C1SCC(=O)NC2CCS(=O)(=O)C2)C3=CC=CC=C3 1 1.324 4 3 0 -20.6520820601163 5191225 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.255 4 6 0 -19.4799236158911 5191194 CC(=O)N1CCN=C1SCC2=CC=C(C=C2)Br 1 2.976 2 1 -10.0536668636567 5191161 COC1=C(C(=NC=C1)OC2=CC=CC=C2)C(=O)N=CNOCC3=CC=CC=C3F 1 3.571 3 4 0 -2.7286753033557 5191099 CC1CCCC(N1C(=O)CCN2C(=O)C3C4CC(C3C2=O)C=C4)C 1 1.296 2 3 0 -12.2816297133901 5191058 CN1C=CN=C1SC(C2=CC=CC=C2)C(=O)O 1 2.207 2 2 -5.86168650095918 5190981 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C1CCN(C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=C4Cl 1 4.585 2 1 0.112952064426655 5187113 C1CN(CCC1CCCC2CCN(CC2)CC(C3=CC=CC=C3)O)CC(C4=CC=CC=C4)O 1 5.208 2 2 -0.388906964164069 5187018 CNC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2)O 1 3.394 1 1 -4.332474324544 5186884 CCN(CC)C1=NC2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=C1)C 1 4.019 3 1 -5.76759515051203 5186827 CCC(C(=O)NNC(=O)CSC1=NC2=CC=CC=C2O1)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4 1 3.184 5 5 0 -21.5480886980761 5186809 CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=O)C3=CC=CO3 1 2.693 2 3 -11.8376715343556 5186644 CCOC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCC(CC4)C 1 2.66 9 3 0 -28.3021589789888 5186642 CCOC1=CC=CC=C1C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCC(CC4)C 1 2.66 9 3 0 -27.4264983645691 5186634 CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)C(F)(F)F 1 3.269 9 2 0 -23.5272027308044 5186632 CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)C(F)(F)F 1 3.269 9 2 0 -22.470918869077 5186548 CC1CCC2=C(C1)C=C(S2)C(=O)NN=C(C)C3=CN=CC=C3 1 3.101 3 1 -9.55778126680777 5186544 C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)C(F)(F)F 1 2.869 2 4 -8.01085014699989 5186521 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3 1 4.256 2 3 -13.5779450543241 5186466 CCC(C)(C)C1CCC(=NNC2=NC3=CC=CC=C3N2)CC1 1 4.215 4 0 -2.39232936782074 5186461 C1=CC=C2C(=C1)C=C(C(=NNC(=O)C3=CC=C(C=C3)F)O2)C(=O)N 1 2.161 3 3 -6.18332441028413 5186460 CC1=CC=C(C=C1)C(=O)NN=C2C(=CC3=CC=CC=C3O2)C(=O)N 1 2.442 3 3 -6.89520143574938 5186457 CC1CCCC(C1C)NC(=O)C2=CC(=CC=C2)N3CCCC3=O 1 3.049 2 2 -18.7047949754296 5186444 C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5 1 3.789 3 3 -7.35944728204126 5186441 C1COCCN1CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5 1 3.727 3 3 -7.16665984352578 5186419 CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C=C(C=C4C)C)C 1 3.786 9 2 0 -27.1505022079244 5186328 CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)C3N(C(=O)CS3)CCC4=CC=CC=C4)C 1 5.324 2 2 -12.8718800969372 5186298 C1CCC(CC1)NC(=S)N2CCC3=C(C2)C4=CC=CC=C4N3 1 5.008 3 0 -8.83574813331783 5186226 C1CC1C(=O)NCCCC2=CC=CC=C2 1 2.492 1 1 -12.388582786459 5186217 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5)C(=O)C1)C 1 4.689 4 2 -5.17538999957805 5186159 CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)OCC2=CC=CC=C2)C 1 3.693 2 3 -9.77879645314089 5186073 COC1=CC=CC(=C1)C(=O)CC(C2=CC=C(C=C2)Cl)C(=O)O 1 3.557 0 4 -2.63891964743847 5186080 CC1(CC1(Cl)Cl)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br 1 1.63 2 3 0 -9.94444040887766 5186074 C1=CC(=CC(=C1)C(F)(F)F)CNC2=C(C=CC=N2)C3=NC4=C(O3)C=CC(=C4)Cl 1 5.668 3 1 11.4965107242383 5186040 C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCC5)C(=O)N2CC1 1 2.565 4 4 0 -25.2435668975985 5185977 CCOC(=O)CC(=NNC(=O)CN(C1=CC=C(C=C1)Br)S(=O)(=O)C2=CC=CC=C2)C 1 2.668 3 5 0 -16.8256776085237 5185926 COC(=O)C1=C(C=CS1)N2C=CC=C2C(=O)N3CCOCC3 1 1.908 2 4 0 -10.5041864967964 5185902 C1COC2=C(O1)C=CC(=C2)C(=O)NCC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 1.423 4 6 0 -18.1817745559398 5185901 C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.61 3 6 0 -19.7512462785604 5185807 CC1=CC(=C(C(=C1)C)C(=O)CSC2=NN=C(S2)N)C 1 3.355 3 1 -9.17848110665397 5185790 C1C(OC2=CC=CC=C2O1)CNC(=O)CN3C4=CC=CC=C4OC3=O 1 2.068 2 5 0 -10.135605779187 5185787 CC1=CC(=C(C=C1)OC)NC2=C3C=C(SC3=NC(=N2)C)C 1 3.772 3 1 1.10084191386637 5185778 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)O)[N+](=O)[O-] 1 1.974 2 6 0 -9.03909063220906 5185720 COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)OC 1 3.56 1 5 -9.82612478938303 5185709 CCOC(=O)C1CCN(CC1)C(=O)C(=O)OCC 1 0.606 1 5 0 -9.32208254624397 5185679 C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=C(N=CC=C3)Cl 1 2.45 1 5 -12.0824597874352 5185677 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2C)C3=CC=C(C=C3)F 1 2.928 3 3 -8.35416919335305 5185617 CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=NNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 4.375 4 4 0 -7.04668788919309 5185615 CC1CC1C(=O)OCC(=O)NC2=CC(=CC=C2)Br 1 2.415 1 3 -5.61743055271327 5185525 CC1(CC2=C(C(=O)C1)C(C(=O)N2CC3=CC=CO3)(C(F)(F)F)NC(=O)C4=CC(=C(C=C4)OC)OC)C 1 2.92 2 6 0 -19.5614588102456 5185520 C1CCC(CC1)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)N 1 2.521 2 3 -7.91374459924156 5185470 CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.478 3 6 0 -37.0533975355932 5185415 CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC3CCCCO3 1 4.267 2 2 -24.7052236658344 5185372 CC1=C(C(C(=C(N1)C)C#N)C2=C(C=C(C=C2)OC)OC)C#N 1 1.886 3 2 0 -11.4853425410848 5185336 COC1=CC=C(C=C1)OCC(=O)NCCCNC(=O)COC2=CC=C(C=C2)OC 1 1.595 2 6 0 -10.1826403424685 5185320 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CCCOC2=CC=C(C=C2)C(=O)C 1 2.362 2 5 0 -18.9900183281329 5185302 C1C2CN(CC1C3=CC=CC(=O)N3C2)C4=C(C=C(C=C4)C(=O)NCC5=CC(=CC=C5)Cl)NC(=O)C6=CN=CC=C6 1 2.96 5 3 0 -14.077638772651 5185293 C1=CC(=CC(=C1)Br)C(=O)ONC(=O)C2=CC=CS2 1 3.034 1 3 -5.35598800541345 5185061 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)CNC(=O)COC3=CC=C(C=C3)C(C)C 1 3.688 5 3 0 -20.3540508192628 5185049 COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=COC4=CC=CC=C4C3=O 1 3.141 1 5 -0.692292818842469 5184958 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3C=C2 1 2.219 2 3 -16.6676120110954 5184997 COC1=CC=C(C=C1)CNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O 1 2.854 2 4 -10.9287895798837 5184903 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N 1 2.558 3 7 0 -17.4637261972568 5184800 CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-] 1 2.308 2 7 0 -19.0079493365854 5184792 CC1=CC(=C(C=C1)CN(C2=NON=C2N)N=NC3=NON=C3N)C 1 2.618 9 2 0 -1.72706898051286 5184735 CC(C(=O)NN)NC1=CC(=C(C=C1)Cl)Cl 1 1.813 3 1 0 -5.41626689373656 5184577 CN1C(=CC=N1)C(=O)OCC(=O)NC2=CC=CC=C2Cl 1 1.927 3 3 0 -13.4471194909805 5184571 CC(=NOC(=O)NC1=CC=C(C=C1)Cl)C2=C(C=C(C=N2)C(F)(F)F)N3CCOCC3 1 3.767 4 3 0 4.28503274340805 5184455 CC1=C(C=CC(=C1)OCC(=O)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3)Cl 1 3.321 1 4 -13.266761100774 5184323 CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)C(=O)C 1 4.501 4 1 -1.81418149158375 5184286 CC1CSC(=N1)N(C2=C(C=C(C=C2)C)C)C(=O)C3=CC=CC=C3Cl 1 5.899 2 1 -4.62205332554746 5184156 CC1=CC=CC(=N1)C=NNC(=O)C2=C(C=CC(=C2)Br)O 1 2.75 3 2 2.61235734476083 5184120 CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)CCC3=O 1 1.85 3 4 0 -7.05429511885148 5184064 COC1=CC=C(C=C1)C(CC(=O)N2CCCCC2)NC(=O)C(F)(F)F 1 2.488 2 3 -10.7427900982693 5184006 CC1=CC(=C(C=C1)OC(=S)NC2=CC=CC=C2)C 1 5.514 1 1 -1.02337037172467 5183949 CCOC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)F 1 2.785 1 4 -12.2058267481306 5183926 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)C2=CC3=C(C=C2)N=CN3 1 0.835 4 3 0 -12.2366254068939 5183901 COC(=O)CSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3 1 4.806 2 2 -12.5147460258984 5183714 C1=CC(=CN=C1)C(=O)OC2=CC=C(C=C2)Br 1 2.859 1 2 -6.85216970603673 5183679 CC(C(C1=CC=CC=C1)N2CCOCC2)NC(=S)NC3=CC=C(C=C3)OC 1 4.311 3 2 -9.77684743264028 5183675 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NN3CC4=CC=CC=C4C3=N 1 0.69 4 4 0 -23.2497252858327 5183666 C1C2CC3CC1CC(C2)C3=NNC(=O)C(=O)N 1 0.577 3 2 0 -2.55020789814968 5183591 CN1CC(C2(C13C4=CC=CC=C4NC3=O)COC5=CC=CC=C5C2=O)C6=CC=CC=C6Cl 1 4.047 2 3 -4.41581731228118 5183519 CC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NCC3=CC=CC=C3 1 2.162 3 3 -12.6020667497786 5183504 CCSC1=NCCN1C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 4.21 2 1 -6.48760849995118 5183462 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN=C4N(C3=O)C=CS4 1 0.112 6 4 0 -21.1385648620266 5183352 C1CCC(CC1)OP(=O)(C(C2=C(C=CC=C2Cl)Cl)O)OC3CCCCC3 1 5.784 0 4 -2.87872796106048 5183345 CCOC(=O)CNC(=O)CSC1=NC(=NS1)C2=CC(=CC=C2)C 1 2.463 3 3 -11.8359209064155 5183241 CC1=C(C(C(=C(O1)N)C#N)C2=CN=CC=C2)N3N=C(N=N3)[N+](=O)[O-] 1 0.332 8 3 0 -9.43954344148782 5183111 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCCCC2)S(=O)(=O)N(C)C 1 2.387 2 5 0 -14.2875190196566 5183063 C1=CC(=CC=C1CN2C=C(C=N2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.636 5 5 0 -13.2476270730511 5183059 CCC1=CC=CC=C1NC(=S)N(CCC2=CC=NC=C2)C(C)C 1 5.47 3 0 -6.88028914531465 5183056 CC(=O)NC1=CC=C(C=C1)C=NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3 1 2.023 5 2 0 -5.17432303149964 5183038 CC(C)(C)C(=O)NC1=C(C=CC=N1)C(C2=CC(=CC=C2)C(F)(F)F)O 1 3.835 2 2 -10.5432275736028 5183036 CCCCCCCCN1C=NC2=C1C=C(C(=C2N)C)C 1 4.93 3 0 -2.39895644526211 5183012 CC1=C(C(=CC=C1)NC(=O)C(=O)NCCC2=CNC3=CC=CC=C32)C 1 3.475 3 2 -11.8780051519704 5182956 CC1CCCC(C1C)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 3.502 2 3 -12.7400821609679 5182946 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C(F)(F)F 1 2.254 4 3 0 -15.9684392468528 5182757 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)CN5C=C(C=N5)[N+](=O)[O-] 1 5.006 5 4 0 -14.7699031172991 5182617 COC1=CC=C(C=C1)NC(=O)C2CC(=O)N=C(S2)NN=CC3=CC=CC=C3 1 2.954 4 3 0 -7.07258376311461 5182613 CCOC(=O)C(CC1=CC=CC=C1)C2=CC=NC3=NC(=NN23)N 1 2.633 5 2 0 -6.24035660431011 5182595 CCOC(=O)C1=C(OC2=C(C13C4=CC=CC=C4N(C3=O)CC(=O)N)C(=O)CCC2)N 1 -8.8e-002 3 6 0 -14.9464310270769 5182571 CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(S3)Cl 1 4.298 2 4 -9.9952611915294 5182505 C1CC(CC=C1)C=NNC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.259 2 2 1.36634270363996 5182513 CCOP(=O)(C(C1=CC=C(C=C1)Br)O)OCC 1 2.185 0 4 -3.21032235882556 5182455 CC(=O)N(C1=CC=CC=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)N 1 1.168 2 3 0 -0.516040323928828 5182451 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCC3=CC=CC=C3 1 3.258 3 3 -5.45048572209716 5182299 C1CCN(C(C1)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4F)F 1 3.521 3 3 -13.1137007019957 5182253 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)NC4=CC=NC=C4 1 4.345 3 1 -2.67286281019437 5182087 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=NNC(=O)CC3 1 1.217 4 4 0 -15.5047778939839 5182021 CC1=CC=C(C=C1)C2CC(=NNC2=O)C3=CC=C(C=C3)Cl 1 3.694 2 1 -3.58874535812234 5182007 CC(C)OC(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3CCC=CC3 1 4.883 2 2 -16.4371258857431 5181998 CCOC1=C(C=C2C(CC(=O)C2=C1)NC(=O)C3=CC=CO3)OC 1 2.035 1 5 -13.6467855266643 5181996 CCOC(=O)CC1=NC2=CC=CC=C2N(C1=O)CC#N 1 1.155 3 3 0 -14.2054898949457 5181969 C1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4(CC3)OCCO4)F 1 1.548 2 5 0 -23.1513816970774 5181894 CC(C)CC(C(=O)NCCC1=CC=C(C=C1)Cl)NC(=O)N 1 2.508 3 2 -13.15586793115 5181819 CCOC1=CC=CC=C1C(=O)NC2=NN=C(S2)C(C)C 1 2.811 3 2 -12.5020648974402 5181778 COC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3 1 1.796 6 4 0 0.611553639996786 5181726 CN1C(=O)C(SC1=NC2=CC=CC=C2)CC(=O)NC3CCCCC3 1 3.389 3 2 -12.1994122517237 5181592 COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=S)N2)OC 1 4.3 2 2 -16.342245036446 5181571 CN(C)C=NC1=C(C2=C(S1)CCCC2)C(=O)N 1 1.509 3 1 0 -6.18882008130707 5181544 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(=O)OC)C4=NOC(=C4)C)O 1 2.497 2 7 0 -20.5501801006354 5181542 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)Cl 1 3.16 2 5 0 -17.172912093386 5181510 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)CC3=CC=CC4=CC=CC=C43 1 3.222 3 4 0 -17.2846253017146 5181461 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4CC=CCC4C3=O)C 1 0.866 5 5 0 -14.1905109050636 5181433 C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=C(C=C(C=C4)Br)F 1 2.95 1 4 -4.75849551320063 5181400 CN1C=CN=C1SCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4 1 1.075 6 1 0 -4.19272251549602 5181376 CCCCCCCC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F 1 4.037 3 4 0 -7.91593202761494 5181370 CC1(CC(=O)C(C(=O)C1)C(C2=C(CC(CC2=O)(C)C)O)C3=C4C=CC=CN4C(=N3)C5=CC=CC=C5)C 1 4.117 2 4 -0.446051041267488 5181292 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC(=CC=C3)O)CC4=CC=CO4 1 3.177 2 3 -5.61578940669585 5181284 C1CC2C3C(C1O2)C(=O)N(C3=O)C4=CC(=CC=C4)O 1 0.776 1 4 0 2.76224791128007 5181195 C=CCN1C(=NN=C1SCC(=O)NC2CCS(=O)(=O)C2)C3=CC=NC=C3 1 0.442 5 3 0 -24.2259660997331 5181066 CC(C)(C)NC(=O)CCN(C1=NS(=O)(=O)C2=CC=CC=C21)N=CC3=CC=CC=C3 1 2.71 4 3 0 -13.586393946375 5181014 C1=CC=C(C=C1)CN(C(C#N)C2=CC=CC=C2)C(=O)CCCl 1 3.393 2 1 -8.40221900671222 5180996 C1C(SC(=NC1=O)NN=CC2=CC=CO2)C(=O)NC3=CC=C(C=C3)F 1 2.571 4 3 0 -6.12063138678731 5180935 CN1C(=C(C(=N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)Cl)O)Cl 1 4.557 2 1 3.37400756866489 5180933 CC1=C(C(=NS1)SCC2=CC=C(C=C2)Cl)C#N 1 4.195 2 0 -5.91445445685384 5180887 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1 2.978 4 2 -5.91720407546018 5178209 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NCCCN4CCCCC4 1 1.848 4 4 0 -30.567245597967 5178183 COC1=CC=C(C=C1)S(=O)(=O)N2C(COC3=CC=CC=C32)CC(=O)O 1 2.067 1 6 0 -11.8618188331571 5178106 C1CC(=O)N(C1=O)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC4=CC=CC=C4 1 2.554 3 4 0 -4.59183124943189 5178097 CC1CC(CN(C1)C(=S)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C 1 4.556 6 0 -8.46133540024401 5178033 CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=NN3C(=CC=NC3=N2)C 1 2.767 5 3 0 -15.3640929217187 5177976 CCS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-] 1 0.344 4 6 0 -23.8458975354485 5177959 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)OC)OC 1 3.242 1 5 -14.5240192115002 5177955 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=O)NC2=CC=C(C=C2)F 1 2.459 5 5 0 -10.854348875201 5177930 C1=CC2=C(C=C1C(F)(F)F)C(=O)C(=CN2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.518 2 1 4.37041411083873 5177926 COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-] 1 2.162 4 4 0 -12.0698089278069 5177888 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CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)CCCNC(=O)C3=CC=C(C=C3)C(C)(C)C 1 4.916 4 2 -4.18545454928458 5196982 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C(=O)C3=CNC4=CC=CC=C43 1 3.415 3 2 -9.80977711945601 5196974 CC1=C(C(=O)N(N1)C(=S)N)C(C2=CC=C(C=C2)OC)C(C#N)C#N 1 1.33 5 2 0 -7.46519259927375 5196967 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C(C)C)C(=O)C3=C(SN=C3SC)SC 1 4.336 3 3 -15.7863343423787 5196927 C1=CC(=CC(=C1)NC(=O)NCC2=CN=CC=C2)C(F)(F)F 1 2.321 3 1 -2.7475184579464 5196834 COC1=CC=CC=C1NC(=O)CC(C2=CC=C(C=C2)F)C3=CC=CO3 1 3.763 1 3 -11.1474568847071 5196684 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CC3=CC=CC4=CC=CC=C43 1 4.072 2 4 -9.48954587817995 5196585 CC1=C2CCN(C2=NC(=N1)SC)C3=CC=C(C=C3)F 1 3.334 3 0 -9.83944565264827e-002 5196583 C1=CN(C(=C1)S(=O)(=O)N)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.531 3 2 0.194168738823689 5196575 CC(=NNC(=O)CNC(=O)C1=CC=CC=C1)CC2=CC=CC=C2 1 1.748 3 2 0 -14.979509291663 5196507 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N3CCOCC3)[N+](=O)[O-] 1 2.045 3 6 0 -8.88528058222238 5196499 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)NC4CCCCC4 1 4.171 4 2 -12.8051646944503 5196403 COC1=C(C=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4)OC 1 2.737 8 4 0 -29.7299399013566 5196396 COC1=C(C=C(C=C1)CCC(=O)OCC(=O)NC2=CC=CC=C2OC(F)F)OC 1 3.585 1 6 0 -14.8275926468317 5196392 CC1=CC=C(C=C1)S(=O)(=O)NCCC(C2=CC=CC=C2OC)C3=CC=CO3 1 4.04 1 4 -11.3179007504875 5196388 C1CCC(=NNC(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3)C1 1 3.354 2 3 -8.68320666442952 5196328 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3CCCC4=CC=CC=C34 1 4.462 1 2 -6.10963799769493 5177139 C1CC(OC1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl 1 2.338 5 4 0 -37.6266218002973 5177095 C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)[O-].[K+] K+ 1 -0.757 1 4 0 -2.50880415480365 5177094 CN(C)C(=O)CSC1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3 1 2.653 2 2 -10.5691520645153 5177075 C1=CC=C(C(=C1)CS(=O)(=O)CCC(=O)NCCC2=CC=C(C=C2)Cl)F 1 3.445 1 3 -12.2569378115376 5176949 CC1=CC(=C(O1)C)C(=O)NN=C(C)CC2=CC=C(C=C2)OC 1 2.067 2 3 -8.81290621450468 5176938 CC(C)N(C1=CC=CC=C1)C(=S)NCCOC 1 3.461 2 1 -11.7949881076538 5176824 CC1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC=C(C=C2)C#N)O 1 2.842 1 4 -8.92762216203522 5176823 C1CCN(CC1)C2=C(C=C(C=C2)C=NOC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-] 1 4.782 3 4 0 0.72243319955741 5176819 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CN=C(C=C3)Cl 1 2.702 2 3 -13.4111239755121 5176732 CCOC1=C(C=CC(=C1)C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O)O 1 3.226 4 6 0 -10.1016749313348 5176676 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC4=C(S3)CCC4 1 2.786 2 4 -23.2552957914847 5176664 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(C=CC(=C3)Br)OC)C 1 3.68 4 3 0 -2.59247322186586 5176535 CC1(C(=O)N(C(=O)N1)CC(=O)NCC=C)C2=CC=C(C=C2)OC 1 0.736 3 4 0 -13.2921467374164 5176501 CCCC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCCCC3)C4=CC=CC=C4 1 3.179 9 2 0 -29.4277106218617 5176424 CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)CC3=CC=CC=C3 1 3.259 4 1 -11.9632229330212 5176419 CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 2.119 3 3 -13.9599378041765 5176394 CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)OCC 1 4.741 4 3 0 -10.0216884663965 5176346 CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 2.712 4 7 0 -34.1818206133173 5176299 CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CC3=CC(=C(C=C3)Cl)Cl)C 1 4.344 3 3 -13.9292294208077 5176187 CC(=NNC(=O)C1=CC=CC=C1Cl)CC(=O)NC2=CC(=CC=C2)OC 1 2.603 3 3 -8.36294759712482 5176013 CN(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl)C3CCS(=O)(=O)C3 1 -6.7e-002 3 6 0 -31.4853287555917 5175993 COC1=C(C=C(C=C1)C2C(CSC3=C2SC(=O)N3)C(=O)OC)OC 1 2.509 1 5 -10.5050050969811 5175942 C1CCC2=NN=C(N2CC1)C(=C3N(C(=O)C(=CC4=CC=CC=C4)S3)C5=CC=CC=C5)C#N 1 4.725 5 1 -11.4062995263249 5175876 CCC(=NNC(=O)CNC(=O)C1=C(C=C(C=C1)Cl)Cl)C 1 2.045 3 2 -10.9195863666241 5175765 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.235 4 3 0 -5.86662079056069 5175735 CNC1=C(C=NN1C2=CC=CC=C2)[N+](=O)[O-] 1 1.884 4 2 0 -3.93768040360854 5175727 CC1=CC2=C(N1)C=CC=C2OCC(CNCC3=CC=CO3)O 1 2.11 2 3 -4.64289315399028 5175650 CC1=CC=CC(=C1)C2=NSC(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 3.752 3 3 -6.74789222969244 5175637 C1CC2=C(C(=C3SCCCS3)C1)NC(=S)NC2C4=CC=CC=C4 1 4.819 2 0 -19.0598069865912 5175593 C1=CC=C(C=C1)C=NNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.378 5 0 5.69256978876117 5175512 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC(=CS4)C5=CC=CC=C5 1 4.327 3 3 -15.371345074957 5175453 CCOCCCNC(=O)C(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C 1 1.217 3 4 0 -24.9172129724653 5175451 CC(=O)OC1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O 1 2.151 1 6 0 -10.7959400356314 5175278 CC(C)(C)C(=O)COC(=O)C(CCSC)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC 1 2.635 1 7 0 -25.9688414522965 5175267 CC1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=NC=C3 1 1.791 4 2 0 -2.42998811603945 5175259 CC1=CC(=NO1)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br 1 1.899 2 3 0 -6.52065588373658 5175239 CC1=CC=CC(=C1)C(=O)N2CCN=C2SCC3=CC=C(C=C3)[N+](=O)[O-] 1 4.272 3 3 -12.412637959382 5175238 CC1=NC2=C(C(=CC=C2)[N+](=O)[O-])NC(=O)C1 1 0.762 3 3 0 -8.34391538950561 5175206 C=CCNC(=S)NC1=CC(=CC=C1)NC(=S)NCC=C 1 4.428 4 0 -10.9510032878044 5175116 COC1=C(C=C(C(=C1)C2C(=C(OC3=NNC(=C23)C4=CN=CC=C4)N)C#N)Br)OC 1 3.219 5 3 0 -11.6419571039456 5175063 C1CCC(C1)N2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)N5C=CC=CC5=N3 1 3.043 4 3 0 -22.8675550501144 5174948 CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)OC)C 1 3.262 4 4 0 -3.09081345149126 5174937 C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(=C4C(=O)C5=CC=CC=C5C4=O)NC3C(=O)O 1 0.954 2 6 0 -3.46157833407577 5174812 CC1=CCC(CC1=NNC(=O)CNC2=CC=CC3=CC=CC=C32)C(=C)C 1 4.164 3 1 -7.62694938494457 5174808 CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)OC 1 2.785 3 6 0 -9.5319567922079 5174698 CCCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CC=CC=C3 1 3.634 3 3 -7.60824779846431 5174696 CSCCC(C(=O)OCC1=CC(=CC=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 4.172 1 4 -15.0479107994504 5174431 C1=CC=C(C(=C1)C(=O)NCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl)Br 1 3.574 3 4 0 -13.6301061120751 5174360 CC(=NNC1=C(C=CC(=C1)C(F)(F)F)Cl)C2=CN=CC=C2 1 3.885 3 0 2.04903760630479 5174326 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CN(C)C3=CC=CC=C3)C4=CC=C(C=C4)OC 1 2.794 9 3 0 -25.6778867430787 5174316 CC(=NNC(=O)NC1CCCCC1)C2CCCCC2 1 3.306 3 1 -6.82664265957144 5174313 COC(=O)C(C1=CC=C(C=C1)N2C=CC=C2)C(=O)OC 1 2.428 1 4 -4.8798252167407 5174302 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCOCC4)C(=C2)C 1 3.795 5 1 -10.5644969914639 5174256 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NCCN3C(=O)CSC3=O 1 1.916 5 3 0 -26.6293831640952 5174211 CCOC1=CC=CC=C1NC(=S)N(CCOC)C2CCN(CC2)C(=O)C 1 2.62 3 3 -14.7092354345192 5174139 COC1=CC=CC=C1NC(C#N)C2=CC=C(C=C2)Br 1 3.82 2 1 -2.73890836132592 5174104 CCCCNC(=O)CSC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.405 4 5 0 -32.1900707116841 5173932 COC1=CC=CC(=C1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O 1 3.699 3 3 -8.39785049531105 5173907 CCC1=CC(=CC=C1)NC(=S)N(CCOC)C2CCN(CC2)C(=O)C 1 3.23 3 2 -10.4758400181673 5173805 CC1=NNC(=NC1=O)SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4 1 2.942 5 3 0 -18.515192356943 5173754 CC1=CC2=C(C=C1)N=NN2CC3=C(C(=CC=C3)C(C)(C)C)O 1 4.868 3 1 -1.33600050525995 5173753 CC1=CC(=C(C(=C1)C(C)(C)C)O)CN2C3=CC=CC=C3N=N2 1 4.868 3 1 -2.04907042146004 5173741 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 1.181 1 6 0 -16.0104087813028 5173684 CCNC(=O)OCCC12CC3CC(C1)CC(C3)C2 1 3.161 1 2 -2.65544465701184 5173595 CCCCCN1C=NC2=C(C1=O)SC3=NC4=C(CSC(C4)(C)C)C=C23 1 4.291 3 1 -12.6035411520614 5173592 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2=CC3=C(C=C2)N(C(=C3)C)C)C 1 4.428 2 2 -1.73252826501284 5173581 CC(C)NC(=S)N(CCC1=CC=NC=C1)C(C)C 1 3.4 3 0 -10.4097680419608 5173580 CC1=CC(=C(C=C1)C)NC(=S)N(CCC2=CC=NC=C2)C(C)C 1 5.501 3 0 -6.53862915548588 5173579 CC1=C(C(=CC=C1)C)NC(=S)N(CCC2=CC=NC=C2)C(C)C 1 5.501 3 0 -6.81501111553099 5173578 CC1=CC(=C(C(=C1)C)NC(=S)N(CCC2=CC=NC=C2)C(C)C)C 1 5.987 3 0 -5.82059957742395 5173563 C1=CC(=CC=C1C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NCCCN4C=CN=C4)Br 1 3.609 6 1 0 -11.3894014183716 5173408 CC(C)C1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3C=C2 1 3.387 3 1 -7.65202260114707 5173342 CCC1=C(C(=CC=C1)CC)NC(=O)C2=CN=C(C=C2)N3C=NC=N3 1 3.43 5 1 -9.90310330321402 5173324 CN(CC1=C(C=CC(=C1)Br)OC)CC(COC2=CC=C(C=C2)Br)O 1 4.505 1 3 1.19763629193678 5173219 CC1CCCCC1NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC(=CC=C3)Br 1 3.062 3 3 -11.3925387205997 5173179 CCOC1=CC=C(C=C1)NC(=O)CC(=NNC(=O)C2=NC=CN=C2)C 1 0.415 5 3 0 -12.8693808328095 5173127 CCOC1=CC=C(C=C1)C=NNC2=NC(=NC(=C2)C)N3CCOCC3 1 1.937 5 2 0 -0.492727905191379 5173086 COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC 1 1.316 2 8 0 -20.6531679736937 5173083 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CC3=CC=C(C=C3)F 1 3.766 2 3 -2.77517198306276 5172807 CCOC(=O)NC(C1=CC=C(C=C1)C(C)C)C(Cl)(Cl)Cl 1 4.769 1 2 -7.39780016074345 5172693 C1C2C(CS1(=O)=O)SC(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N2C4=CC=CC=C4 1 3.253 3 5 0 -17.0717007308746 5172674 CC1=C(SC=C1)C(=O)NNC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.189 2 4 0 -8.92553459863381 5172669 CCCCNC(=S)NNC(=O)C1=CSC(=C1)C 1 2.555 3 1 -14.4347109489332 5172655 C1C(=O)N(C(S1)C2=CC(=CC=C2)O)CC3=CC=CC=C3 1 3.004 1 2 -8.87397612701692 5172523 CC1=C(SC(=S)N1C)C(=O)NNC(=O)C 1 0.546 3 2 0 -8.27480719087417 5172504 CC1=CC(=CC=C1)NC(=S)N(CCOC)C(C)C2=CN=CC=C2 1 4.213 3 1 -8.98652448185396 5172502 CC1=CC=CC=C1NC(=S)N(CCOC)C(C)C2=CN=CC=C2 1 4.213 3 1 -12.5689904971828 5172470 COC1=CC=C(C=C1)S(=O)(=O)N2CN(C3=NC4=CC=CC=C4N=C32)CC=C 1 3.009 4 3 0 -13.6997062352653 5172373 C1COCCN1C2=NN3C(=C(C=NC3=N2)C(=O)O)N 1 -0.587 6 3 0 -7.04861238449002 5172332 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)S(=O)(=O)C5=CC=C(C=C5)Br 1 3.489 4 3 0 -23.2238614245101 5172305 C1CCN2C(C1)C(=O)N(C2=O)CCN3CCN(CC3)C4=CC=C(C=C4)F 1 2.277 4 2 -1.63955742603343 5172212 CC(=O)OCC1(CN(N(C1=O)C(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C 1 3.14 2 4 -4.19399700119344 5172209 CN1C(=C(C(=N1)C(F)(F)F)C#N)N2CCN(CC2)C3=CC=CC=C3 1 3.645 5 0 1.14721359628827 5172196 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=NC=C(C(=C4Cl)C)Cl 1 4.671 3 5 0 -17.2439699842425 5172195 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 3.447 4 4 0 -14.2169364548804 5172058 CC(=O)C(=NNC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)OC)C(=O)NC3=CC=C(C=C3)OC 1 3 4 7 0 -6.64581611811088 5172057 C1CCC(CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3 1 3.89 3 5 0 -13.5130587033302 5171980 CCCC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=C(C=C2)OC)C3=CC=CC=C3 1 2.683 3 4 0 -11.4704982781381 5171909 CC1CCCN(C1)C(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC 1 1.507 2 4 0 -17.3574385657634 5171892 CC1CCCCC1NC(=O)CON=CC2=CC=CC=C2OC(F)F 1 3.738 2 3 -7.06910562472071 5171783 COC1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C6=NC(=NN6C=N5)CC7=CC(=C(C=C7)OC)OC 1 6.039 4 4 0 -12.8338681020174 5171720 CC1=C(C2=NSN=C2C=C1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.123 4 3 0 -7.15382455498351 5171702 CC1=NOC2=C1C(=NC=N2)OC3=CC4=CC=CC=C4C=C3 1 3.194 3 2 4.78459621338839 5171677 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(S3)Cl 1 2.141 2 4 -8.0492357506354 5171670 CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)C)C4=CC=CO4)Cl 1 3.693 3 2 -2.1310394430072e-002 5171630 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 2.121 3 6 0 -19.6131320090998 5171596 C1COC2=CC=CC=C2C13C(=O)N(C(=O)N3)CC(=O)NCC4=CC=C(C=C4)F 1 1.44 3 4 0 -10.4189443207423 5171594 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3CCCO3)N4CCCCC4 1 2.833 3 5 0 -12.7333365981381 5171584 CC(=NNC(=O)CC#N)C1=CC=C(C=C1)OC2=CC=CC=C2 1 2.619 3 2 -10.4388556214511 5171485 CCC1=NN=C(S1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.746 4 4 0 -14.641121313212 5171415 CCCN(CCC)C1=CC=C(C=C1)C(C2=NN=C(O2)C3=CC=CC=C3)O 1 4.344 3 2 -7.19378996656572 5171395 CC(=NNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)[N+](=O)[O-])C3=CC=NC=C3 1 2.644 5 5 0 -7.49811091160768 5171354 CCC(=O)N1CC(=O)NC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)F 1 2.659 2 2 -17.8386137749982 5171158 C1CC(OC1)COC2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3 1 3.582 2 3 -7.47574404202705 5171139 CCC1=CC=CC2=C1NC(=O)C23OCCO3 1 1.462 1 3 0 -6.40622257915729 5171129 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)F)N5CCCC(C5)O)F)C(=O)O 1 2.349 4 5 0 -11.3956066847885 5171033 CCN1C(=O)N(C(C1(C2=CC=CC=C2)O)(C3=CC=CC=C3)O)CC 1 2.742 2 3 -2.00300570627072 5171021 CC1=C(C(NC(=O)N1)C2=CC=C(O2)C3=CC=C(C=C3)F)C(=O)OC 1 2.368 2 4 -23.338587416306 5170995 COC(=O)C1=CC=C(C=C1)NC(=S)NN2CCCCC2C3=CN=CC=C3 1 3.388 4 2 -5.90567237912052 5170953 CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(S3)[N+](=O)[O-] 1 2.332 4 4 0 -1.60179617278833 5170830 CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)C 1 4.605 3 1 -6.16157615924844 5170821 CC1CC(CN(C1)CC(=O)C2=CC=CS2)C 1 3.085 1 1 -9.35561991235679 5170677 CN1C=C(C(=N1)C2=NNC(=S)N2C3CCCCC3)Cl 1 3.703 5 0 -3.35200546141445 5170674 CCN(CC)C(=O)C(=O)C1=CC=CN1C2=C(C=CC=C2Cl)C#N 1 3.538 3 2 -5.87879268116476 5170671 C1=CC(=C(C(=C1)Cl)C(=O)NC2=C(SC=C2)C(=O)O)Cl 1 3.526 1 3 -9.481658400587 5170670 C1OC2=C(O1)C=C(C=C2)C3=C(N4C=CC=NC4=N3)Br 1 2.883 3 2 1.21687704843924 5170651 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC 1 1.227 3 5 0 -31.1013821558568 5170611 CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)OC)C 1 3.021 2 7 0 -17.2895634221982 5170457 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=CN2 1 1.237 2 5 0 -16.6395115496555 5170432 COC(=O)C1=C(C=CS1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.02 2 6 0 -12.5345209582749 5170391 CC1=NOC2=C1C(=NC=N2)OC3=CC=C(C=C3)F 1 2.491 3 2 2.64371298910766 5170329 C1COCCN1CCCNC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N 1 0.943 7 3 0 -3.9833355181782 5170282 C1CC2=C(C1)C=C(C=C2)NC(=O)CC3=CC=CC=C3F 1 3.912 1 1 -11.1049646243405 5170223 CC(C)N(C(C)C)C(=O)CC(=NNC(=O)COC1=C(C=C(C=C1)Cl)Cl)C 1 3.201 3 3 -7.68728223534424 5170190 COC1=CC=C(C=C1)C2CC(=NN2S(=O)(=O)C)C3=CC=CS3 1 2.479 2 3 -3.45597751719819 5170075 C1C2=C(C3=CC=CC=C3O1)N=C(S2)NC(=O)C4=CC=CS4 1 3.327 2 2 -2.35047288290674 5169992 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC)OC)C(=S)NC 1 4.417 3 2 -12.7708035888855 5169988 CCC(C)C(=O)NC1=NC2=C(S1)C(=O)CC(C2)(C)C 1 2.811 2 2 -14.2025340432845 5169977 CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4 1 2.358 5 4 0 -24.7838109310958 5169870 CC1=C(C=CC(=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4OC)SC2=S)Cl 1 6.608 3 4 0 -15.2922852996871 5169816 CCNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OCC)C3=CC=CC=C3 1 3.726 4 2 -12.9506689425865 5169775 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=NC4=CC=CC=C4S3)C 1 2.591 4 2 -12.696454658193 5169713 COC1=CC(=CC(=C1OC)OC)CC(=O)NCC2COC3=CC=CC=C3O2 1 2.486 1 6 0 -13.117006922588 5169643 CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4 1 4.716 2 3 -31.3953878216497 5169602 C1=CC(=CC=C1C(=O)OCC2=CC(=O)N3C=CSC3=N2)OC(F)F 1 2.355 2 4 -12.3966017059889 5169592 COC1=C(C=C(C=C1)C(=O)CC2C3=CC=CC=C3C(=O)O2)OC 1 2.938 0 5 -12.0165888626483 5169481 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)NC(=O)C 1 2.077 5 2 0 -16.639916945771 5169479 CC1=CC=CC=C1NC(=O)CSC2=NC(=NC(=C2)C)C 1 2.493 3 1 -14.1295107503893 5169477 CN(C)C(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2 1 2.655 2 2 -7.53961122500564 5169358 CC1CN(N(C1)C(=S)NC2=CC=CC=C2)C3=CC=CC=C3 1 4.781 3 0 -6.42728770523916 5169336 C1=CC=C(C=C1)C2C3(C(C4(O2)C(=O)C5=CC=CC=C5C4=O)C6=CC=C(C=C6)[N+](=O)[O-])C(=O)C7=CC=CC=C7C3=O 1 4.962 1 7 0 -3.41730135561139 5169275 CC1=C(C=C(C=C1)NC(=O)N(C2CCCCC2)C(C)C3=CN=CC=C3)C 1 4.793 3 1 -6.18907256584931 5169272 CCOC1=CC=C(C=C1)NC(=O)N(C2CCCCC2)C(C)C3=CN=CC=C3 1 4.153 3 2 -7.12034711206136 5169271 CCC1=CC=C(C=C1)NC(=O)N(C2CCCCC2)C(C)C3=CN=CC=C3 1 4.763 3 1 -6.18059588698828 5169190 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)Cl)F 1 4.527 2 3 -11.0161280614139 5169186 CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCC4(CC3)OCCO4 1 2.488 2 5 0 -19.0873497893279 5169124 CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C#N)N4CCCC4C2=O 1 4.035 3 1 -1.02813927604716 5169123 CN1CCN(CC1)CC2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)O 1 0.996 3 3 0 -5.11382006231935 5168995 C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=S)NC4CCCCC4 1 8.471 4 1 -6.14582883695981 5168989 C1=CN(C=C1)C2=C(C(=CC=C2)Cl)CNC(=O)CCl 1 3.03 2 1 -11.1226486249258 5168984 C1CCN(C1)C(C2=CC=CC=C2)C(=O)NC3=NC=CS3 1 2.133 3 1 -8.28025662294871 5168793 CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3)C 1 2.759 1 6 0 -18.1474857153387 5168702 C1CCC(CC1)N2C(=O)C(NC2=S)CC3=CC=C(C=C3)O 1 3.795 2 2 -2.81459342768957 5168684 CC1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F 1 6.133 1 3 -12.2330407855377 5168656 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NN=CC2=CC3=C(C=C2)N=CC=C3 1 2.764 4 3 0 -7.54264826765287 5168576 CCCC[N+]1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 4.098 4 2 8.15213105155785 5168539 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC(=O)C=C(N3)N 1 -0.325 5 5 0 -30.4830800449472 5168569 CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)Cl)S(=O)(=O)C 1 1.604 1 5 0 -7.46470786073757 5168521 CC1=CC(=C(C(=C1)C)NC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43)C 1 3.646 3 3 -8.34307562365481 5168518 CC1=CC(=C(C=C1)C)NC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43 1 3.16 3 3 -8.89660176417625 5168503 C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4OC3=O 1 2.57 1 5 -15.9165845095076 5168480 C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC(=CC(=C3O)[N+](=O)[O-])Cl 1 2.765 3 4 0 -0.353018906855072 5168351 C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Br)C(=O)C3=CC4=CC=CC=C4OC3=O 1 3.113 1 5 -16.0792051077026 5168343 CC1C(OC(=O)C(C1=O)(C)C)C2=CC=CC=C2 1 2.82 0 3 -2.84939774659716 5168337 CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)OC 1 2.829 3 2 -6.58146408488091 5168307 C1=CC2=C(NC(=O)C(O2)CCO)N=C1 1 -0.334 2 3 0 -5.25190352706733 5168301 CCCC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CN(C4=CC=CC=C43)C 1 4.374 3 1 -12.1498272390255 5168242 CC1=C(C(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43)C 1 3.16 3 3 -6.2090950350999 5168240 CC1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43 1 2.673 3 3 -5.32770875367682 5168199 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)N=CC3=C(N(N=C3C)C4=CC=CC=C4Cl)Cl 1 5.496 5 2 0 -5.67538041827959 5168117 CCNC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C)[N+](=O)[O-] 1 3.517 3 5 0 -15.0677883138756 5167999 CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3CCCO3 1 1.892 6 3 0 -0.522060898829029 5167971 CC1(CN=C2N(C1)C(=O)C(=CC3=CC=C(C=C3)Cl)S2)C 1 3.805 2 1 -6.68694342353445 5167940 CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)OCCO3 1 2.866 1 4 -17.3426490202655 5167876 C1COC2=C(O1)C=CC(=C2)C=NNC3=NC4=CC=CC=C4C=C3 1 3.322 3 2 1.93506296401674 5167685 CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CN=CC=C4 1 3.118 3 5 0 -5.89935007727366 5167684 CCCCN1C(=O)C(C(=O)NC1=S)C2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4 1 3.726 3 3 -9.14491864180066 5167659 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3CCCC3)C4=CC=C(C=C4)Br 1 3.95 3 2 -5.27866830029076 5167602 CCC1=NC2=CC=CC=C2N1CC(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.285 4 1 -3.30803526037371 5167537 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)F 1 1.773 2 7 0 -26.9520761856432 5167419 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 2.383 3 3 -13.5064738350941 5167371 COC(=O)C1(C2C(C(=O)N(C2=O)C3=CC=CC=C3)ON1)C(=O)OC 1 -0.29 2 7 0 -1.9121260888614 5167231 CCC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)CC2=CC=C(C=C2)C 1 3.683 1 3 -15.880944206031 5167217 CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NCC1=CC=CC=C1OC 1 2.665 2 4 -10.5231550926189 5167204 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)C(=O)NNS(=O)(=O)C3=CC=CC=C3)C 1 2.119 4 5 0 -10.6123389125932 5167185 C1=CC=C(C(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2)[N+](=O)[O-] 1 2.124 2 6 0 -17.9907043645963 5167113 C1COCCN1C(=O)CSC2=NN=C(O2)CNC(=O)C3=C(C=CC=C3Cl)F 1 1.095 4 4 0 -25.2209050654096 5167013 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC(=C3)C)C)C 1 2.938 3 2 -15.5053390677221 5167000 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCC3COC4=CC=CC=C4O3)S(=O)(=O)N5CCCCC5 1 1.445 4 6 0 -28.6528576505765 5166959 C1CC(OC1)C(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CO4 1 3.121 2 3 -17.5994591755152 5166716 CCOC1=CC=CC=C1C=NNC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.88 4 6 0 -28.9454647432097 5166655 C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=CC=CC=N4 1 3.897 1 1 -3.08827851438228 5166464 CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)COC3=C(C=CC(=C3)C)C(C)C 1 3.868 2 3 -4.88890270491668 5166428 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC=C(O3)Br 1 1.862 3 5 0 -19.2605658957257 5166293 CCS(=O)(=O)N1C2=CC=CC=C2N=C1CC3=CC=CS3 1 3.388 2 2 -3.73738773218954 5166133 CCC(CNC1=C2C3=C(COC(C3)(C)C)SC2=NC(=N1)N4C(=CC(=N4)C)C)O 1 3.536 5 2 0 -16.1832734744203 5166061 C1=CC=C(C(=C1)CSCC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])F 1 3.514 4 3 0 -17.5859923159082 5165950 COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-])OC 1 3.429 3 6 0 -5.96062249808395 5165946 CC1=C(SC(=N1)NN=CC2=CC(=CC=C2)Br)C(=O)C 1 2.871 3 1 -1.04186323568824 5165903 C1CC2CN(C3=C(N2C1)C=CC(=C3)C(F)(F)F)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl 1 5.265 2 2 0.270625621670068 5165902 C1=CC=NC(=C1)SC2=NN3C(=NN=C3C(F)(F)Cl)C=C2 1 3.444 5 0 -4.3834818307238 5165886 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(ON=C2C)C 1 1.686 2 3 0 -2.76970685746946 5165692 C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.141 6 3 0 -26.5697235697043 5165670 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)COC2=C(C=C(C=C2)C)Br 1 2.609 3 5 0 -11.077730201411 5165614 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3CC3)S(=O)(=O)N4CCOCC4 1 0.731 6 4 0 -28.3118443034157 5165612 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C 1 1.662 2 5 0 -4.81211831206771 5165556 CC(C)C1=CC=CC=C1NC(=S)NCC2=CC=NC=C2 1 4.139 3 0 -7.30240002137357 5165500 C1=CC=C(C=C1)N2C(=O)C(SC2=NS(=O)(=O)C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)F 1 4.465 3 4 0 -12.6068185178075 5165433 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)[O-])C5=CC=CC=C5 1 6.305 1 2 -3.11941658004167 5165363 C1=CC=C(C(=C1)C=NNC(=O)CNC(=O)C2=CC=CS2)[N+](=O)[O-] 1 1.59 4 4 0 -15.2197252121328 5165321 CN(C1CCCCC1)C(=O)C2=CN=C3N(C2=O)CCS3 1 1.711 3 2 0 -12.54646705576 5165231 COC1=CC=C(C=C1)CN2C(=O)CC(SC2=NC3=CC=CC=C3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 3.708 4 5 0 -13.9684605569059 5165192 CC1=CC(=NO1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CC(CC3=O)C4=CC=CC=C4 1 2.245 3 6 0 -24.5222665207321 5165184 CC1=C(C=C(C=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCOCC4 1 1.273 3 6 0 -27.9561909069086 5165162 CCC(=O)N(C1=C(C(=O)C2=CC=CC=C2C1=O)NC)C(C)C 1 1.416 2 3 0 -5.79093876205154 5165086 C1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=C(C=C3)F)Cl 1 2.012 3 3 -14.6904830496818 5164871 CC1=NN(C(=C1CCNC(=O)CC(C)C)OC2=CC=CC=C2)C 1 3.27 3 2 -10.5623246665125 5164818 COC1=CC(=C(C=C1)OC)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3 1 1.109 3 5 0 -16.0972607395489 5164817 COC1=CC(=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3)OC 1 1.109 3 5 0 -16.0833228519235 5164815 COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3 1 1.125 3 4 0 -15.3246335045477 5164615 CC1CN(CC(O1)C)C2C3=C(C=CC(=C3OC2(C)C)[N+](=O)[O-])C 1 3.14 2 4 -7.27974538500461 5164494 C1CN(CCC1C(=O)NNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CC3=C(C=C(C=C3)F)Cl 1 3.089 5 4 0 -1.08869586548161 5164450 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(SC4=CC=CC=C43)C(=O)OC 1 3.976 2 5 0 -17.6636597935363 5164331 COC1=C(C=C(C=C1)CCN(CC2=CC=CC=N2)C(=S)NC3=CC=CC=C3F)OC 1 5.773 3 2 -12.0052741983415 5164207 CC1=C(SC2=NC=NC(=C12)NCC(C3=CC=CC=C3)N(C)C)C 1 3.842 4 0 -1.17713247333124 5164162 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCC(CC3)C(=O)NC(C)C)Br 1 2.169 3 4 0 -26.0829945093669 5164064 CC(C(=O)NC(=S)N1CCC2=CC=CC=C21)OC3=C(C=C(C=C3)Cl)Cl 1 5.842 2 2 -13.1803272258833 5164062 CCCN(C1=CC=C(C=C1)OCC)C2=NC=NC3=C2NC=N3 1 2.625 5 1 -3.56924819340448 5163987 C1CC2=CC3=C(C4=C2C1=CC=C4)N=C(S3)NC(=O)C5=CC=C(C=C5)F 1 4.954 2 1 1.23163258658498 5163968 CC(C)(C)C1=NN=C(S1)NC(=O)C2=C(N=CC=C2)Cl 1 2.618 4 1 -5.63231361818387 5163965 C1=CC(=CN=C1)CNC2=C(C=C(C=C2)Br)Cl 1 3.484 2 0 1.16735180431503 5163854 CC1=C(C=CC(=C1)Br)OCC2=NN=C(O2)C3=CC=CC=C3 1 4.124 2 2 -1.32958483688832 5163776 CC1=CC2=C(C=C1)ON=C2CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC 1 3.096 3 5 0 -7.43198528680796 5163774 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CC2=NOC3=CC=CC=C32 1 3.112 3 4 0 -6.53403381756661 5163772 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2=NOC3=CC=CC=C32 1 2.609 3 5 0 -8.97432889953958 5163732 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3F 1 3.358 3 2 -4.90520850912345 5163693 CC1=CC=CC=C1CS(=O)(=O)C2=NC3=CC=CC=C3N=C2 1 3.429 2 2 -2.04840766226311 5163692 CC1=CC(=NN1CC(=O)C2=CC=C(C=C2)Cl)C 1 2.828 2 1 -6.52075614513816 5163631 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=C(C=C2)COCC(F)(F)F 1 3.376 1 5 -12.1701911149805 5163629 COC1=C(C=C(C=C1)CC(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)OC 1 3.589 1 5 -10.8570244812065 5163488 CC1CCC2=C(C1)SC=C2C(=O)NNC(=S)NC3=CC=CC(=C3)C 1 5.057 3 1 -8.35673183623427 5163403 CC1=CSC(=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O 1 2.578 2 5 0 -9.57942233674564 5163402 CCCCCCCCC1=C(N=C(NC1=O)N2C(=O)C(=C(N2)C)CCO)O 1 2.851 4 4 0 -11.4741759937515 5163330 CCCNC(=O)C1=CC2=CC=CC=C2C(=O)O1 1 1.684 1 3 0 -8.99837445814549 5163321 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCOCC4)OC 1 3.032 2 4 -10.3364835693443 5163303 CCN1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)C 1 2.513 3 4 0 -0.558638689915361 5163300 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC=NNC(=S)N 1 0.599 7 2 0 -17.0847344649782 5163145 CC1=CC=C(C=C1)C=NNC(=O)CCC2C(=NNC2=O)C 1 1.147 4 2 0 -19.5393788974454 5163066 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3)OC 1 2.784 3 5 0 -17.6813045906462 5163065 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NC4=NC5CS(=O)(=O)CC5S4 1 2.748 4 3 0 -8.23437816663878 5163063 C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC4=NC5CS(=O)(=O)CC5S4 1 2.777 3 3 -15.6739199271908 5162920 CC1=CC(=C(C=C1Br)Br)OCC(=O)NN=C(C)CC(=O)NC(C)C 1 2.923 3 3 -11.9974563003899 5162900 COC1=CC(=CC(=C1)C(=O)NC2=C(SC=C2)C(=O)OC)OC 1 2.39 1 5 -11.261043168965 5162766 CCCOP(=O)(C(C1=CC=CC=C1)NC(=O)C(C)(C)C)OCCC 1 3.762 1 4 -15.3063517371902 5162762 CC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)Cl 1 3.896 2 3 -8.10057028802223 5162697 CCN(CC)C(=O)CN1C(=O)C2(CCC3=CC=CC=C3C2)NC1=O 1 1.542 3 3 0 -11.5582010634518 5162639 CC1=CC=C(C=C1)N2C(=O)C3=C(N2)C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O 1 4.054 2 3 0.555914293822676 5162612 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)N3CCCCCC3 1 2.053 3 4 0 -16.0824363570066 5162546 C1CN(CC=C1C2=CC=CC=C2)CC(=O)NC3=C(C=CC=C3Cl)Cl 1 4.371 2 1 -6.81815206632343 5162416 C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)Cl)NC(=O)CSC4=CC=CC=[N+]4[O-] 1 3.195 2 4 -8.29578450556592 5162414 C1CCC(CC1)NC(=S)NN=C2CCN(CC2)CC3=CC=CC=C3 1 4.168 4 0 -8.39947023496331 5162400 CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=C(C=C2)N3C(=CN=N3)C(C)(C)C 1 4.669 7 4 0 -9.64509683113651 5162256 C=CCSC1=NC=C(C=N1)C2=CC=CC=C2 1 3.249 2 0 -5.44679810815321e-002 5162204 CC(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)C2=CNC(=C2)C(=O)N 1 3.003 3 2 2.02844420436174 5162203 CN1C2=C(C=C(S2)C3=NN=C(N3C)SCC=C)C(=N1)C4=CC=CC=C4 1 4.653 5 0 -3.97885654037108 5162201 C1COCCN1CCCNC(=O)C2=CC(=CN2)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 2.658 3 3 -4.49253132897611 5162129 CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 3.158 4 4 0 -21.8815592867052 5162114 COC1=C(C=C(C=C1)C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)OC 1 4.35 2 5 0 -10.4971052004929 5161992 C1=CC2=NC(=C(N2C=C1)NC(=O)COC3=C(C=C(C=C3)Cl)Cl)C4=CC=CS4 1 4.958 3 2 -7.03886048998349 5161915 CC1=CC2=C(C=C1)N=C(N=C2NN=CC3=CC=C(C=C3)[N+](=O)[O-])C(Cl)(Cl)Cl 1 4.923 5 2 0 0.755952096987787 5161787 CC(=NNC(=S)NCCOC)CCC1=CC2=C(C=C1)OCO2 1 2.33 3 3 -13.2941715951094 5161778 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 1.328 2 7 0 -33.2059596782346 5161714 COC1=C(C=C(C=C1)N2C(=O)C3=C(N=C2SCC4OCCO4)N(C(=S)S3)C5=CC=CC=C5)OC 1 5.716 3 5 0 -17.4665869623732 5161712 C1=CC=C(C=C1)CSCCNC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S 1 3.968 3 2 -18.9902968713859 5161695 CC1=C(C(NC(=O)N1)C2=CC=CC3=CC=CC=C32)C(=O)OC(C)(C)C 1 2.904 2 3 -27.1722339164248 5161671 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)NC4=CC=NC=C4 1 3.59 4 1 1.56164978190617 5161650 C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=CO2)NC(=O)COC3=CC=C(C=C3)Cl 1 2.79 2 5 0 -9.02927237315879 5161322 CC(C1CC2CCC1C2)N3C(=NN=C3SCC(=O)N)COC4=CC=CC=C4F 1 3.545 4 2 -10.8043250645358 5161265 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC=CC=C3O 1 2.648 1 5 -16.910906353561 5161259 C1CC(=O)N(C1)CCCNC2=C3C=CSC3=NC=N2 1 1.176 4 1 0 -15.467503203917 5161185 CC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC=C)C)SCC(=O)N)C#N 1 2.561 3 3 -36.1193463551594 5161158 CCOC1=C(C=C(C(=C1)CC(=O)O)Br)OCC 1 2.907 0 4 -6.31623376876302 5160940 CC(C)NC(=O)NP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2 1 3.22 2 4 -9.5978156170506 5160901 C1CN(CC2=CC=CC=C21)CCCNC(=O)CN3C(=O)CSC4=C3C=C(C=C4)S(=O)(=O)N5CCOCC5 1 1.107 4 5 0 -32.9301034340264 5160710 CCCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)C 1 4.541 2 2 3.28545243495161 5160683 C1COCCN1CCN2C=NC3=C(C2=N)C(C4=C(O3)C=C(C=C4)O)C5=CC=CC=C5 1 2.649 4 3 0 -3.90097318978161 5160591 CC1CN(C2(O1)CCCCCC2)C(=O)NC3=CC(=CC=C3)Cl 1 3.828 2 2 -1.76747080930119 5160590 CCCCNC(=O)OC1=CC=C(C=C1)C(=O)N2C(C(=O)NC3=CC=CC=C32)C 1 3.203 3 4 0 -21.5972927167682 5160522 CC(=O)C1(N(C(C(=[N+]1[O-])C2=CC=CO2)(C)C)O)C 1 0.256 2 4 0 -1.68576246822341 5160520 CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 0.137 4 5 0 -28.0234621793356 5160456 CC1=C(C(NC(=S)N1)C2=CC=C(O2)C3=CC(=CC=C3)Cl)C(=O)OC 1 4.115 2 3 -17.7975764727452 5160455 CCCNC(=O)COC(=O)C1=CC=CC=C1OCC2=CC=C(C=C2)Cl 1 3.849 1 4 -11.9662710309571 5160433 C1CC2=CC=CC=C2NC(=O)C1SC3=NN=C(S3)C4=CC=C(C=C4)Cl 1 4.737 3 1 -2.90171528414482 5160429 CCCCC1C(=O)N(C(=S)N1)C2CCCCC2 1 3.917 2 1 -8.63071039372468 5160385 CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 3.114 4 2 -20.3677815597664 5160372 CC1CC(CN(C1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)OC)C 1 1.55 2 5 0 -18.005079944054 5160281 CC1CN(C(CN1C(=O)CCC2=CC=CC=C2)C)C(=O)CCC3=CC=CC=C3 1 3.862 2 2 -8.65642477867332 5160224 CCCCNC(=O)NNC1=C(C(=CC(=N1)Cl)C)C#N 1 2.924 5 1 -13.8600687557255 5160223 CC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=COC=C3 1 0.927 3 3 0 -10.4827057670044 5160208 CCOC(=S)SCC(=O)N1CCC2=C(C1C3C(=O)CCCC3=O)C=CC(=C2)OC 1 3.449 1 5 -14.6366268041857 5160172 CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)N4CCOCC4)C5=CC=C(C=C5)Cl 1 3.443 4 3 0 -29.0220948240413 5160067 CC1=C(C(=CC=C1)C)NC(=S)N(CCN(C)C)C(C)C2=CC=CC=N2 1 5.291 4 0 -7.67613533541935 5160062 CC(C)CCN(C(C)C1=CC=CS1)C(=S)NC2=CC(=CC=C2)F 1 6.641 2 0 -4.57960574880694 5159937 CC1=CC=CC=C1N2C(=C3CSCC3=N2)NC(=O)C 1 2.304 3 1 -6.74507054909535 5159933 CC1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)NC4=C3CCCC4 1 6.258 3 0 -1.70822447179675 5159932 CC1=CC(=NO1)N(CN2CCCC2=O)C(=O)C3=CC=C(C=C3)OC(C)C 1 2.305 3 4 0 -18.6654652224477 5159928 CCN1CCN(CC1)CC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C 1 1.729 6 3 0 -14.3397348083613 5159882 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)CC(=O)N)S(=O)(=O)NCC5CCCO5 1 3.312 5 4 0 -18.8084162312065 5159834 C1=CC(=CC=C1C(=O)NCCCCCC(=O)O)C(=O)NCCCCCC(=O)O 1 2.172 2 6 0 -15.5726071999441 5159831 CC(=O)NC1=C(C=C2CCCCC2=C1)OC 1 2.447 1 2 -9.66215301371847 5159787 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)N3CCOCC3)C4=CC=CC=C4OC 1 2.963 4 5 0 -26.4643050879097 5159690 C1C(OC2=CC=CC=C2O1)C(=O)NC3=NN=C(S3)C(F)(F)F 1 2.21 3 3 -5.64440496273225 5159657 CC(=O)OC1=C(C=CC(=C1)OC)C2=NN(C(C2)C3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C4 1 4.134 2 6 0 -9.91822973994169 5159585 CC1CC(CN(C1)CC(=O)C2=C(NC3=C2C=CC(=C3)C)C)C 1 4.056 2 1 -1.96560882608511 5159576 CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3C 1 5.552 3 1 -25.9039200204981 5159478 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.398 4 4 0 -13.7386582422165 5159412 COC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4 1 3.31 2 4 -1.74625070893889 5159350 CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=NNN=N3)Cl 1 3.288 5 1 -0.852287651705906 5159325 CC1CC(CN(C1)CCCNC(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)O)C 1 0.215 3 3 0 -15.3650282507656 5159322 CC(C)C1=CC=C(C=C1)NC(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)O 1 4.264 2 3 -6.01595214718633 5159320 CCC1=CC=C(C=C1)NC(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)O 1 4.012 2 3 -6.53884997961705 5159318 CC1=CC(=C(C=C1)OC)NC(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)O 1 3.539 2 4 -8.69564852402498 5159312 CCOC(=O)C1=CC=CC=C1NC(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)O 1 3.274 2 5 0 -14.030690053411 5159290 CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SCC(=O)N 1 2.269 4 3 0 -15.6015313040822 5159269 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.503 3 1 -4.01793889878637 5159242 C1=CC=C2C(=C1)N=CC3=C(O2)C=CC(=C3)[N+](=O)[O-] 1 3.051 2 3 -4.18543675022533 5159241 CC1CN(CC(O1)C)CC(=O)N2C(CSC2C(=O)OC)C(=O)OC 1 0.429 2 6 0 -13.1397283405811 5159095 CC(=NNC1=CC=CC(=C1)C(=O)NN=C(C)C2=CC=NC=C2)C3=CC=NC=C3 1 1.962 6 1 0 -7.1419221309611 5159035 C1=CC=C2C(=C1)C(OC2=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-] 1 3.195 2 4 -7.48489262424771 5159025 CCN1C(=NC2=C1C=CC(=C2)C(=O)NN=CC3=CC=C(C=C3)N4CCOCC4)C 1 2.864 5 2 0 -6.5238122209824 5158944 CCS(=O)(=O)NCC1=CC2=C(C=C1)N(C(=C2)C)C 1 1.741 2 2 0 -5.19514563458661 5158911 CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCCCC4)C 1 4.963 4 2 -19.2452903669904 5158909 CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-])OCC 1 4.605 3 5 0 -18.6627023113712 5158903 CC1=C(SC(=C1C(=O)OC)NC(=O)C)C 1 1.223 1 3 0 -12.4115056121122 5158878 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=NC4=CC=CC=C43)SC5=CC=C(C=C5)Cl 1 5.77 4 1 1.42070340572718 5158793 C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)COC4=CC=CC=C4 1 2.723 1 4 -11.4417477475789 5158786 COC1=CC=C(C=C1)CN2C(=O)CC3=C2N=C(C4=C(N=C(C(=C34)C#N)N5CCCCC5)N)N 1 2.201 7 2 0 -6.09720248394327 5158719 CCC1=CC=CC=C1N2CC34C=CC(O3)C(C4C2=O)C(=O)OCC(C)C 1 2.89 1 4 -2.51511541892474 5158677 CCC(=NNC(=O)CCN1C2=CC=CC=C2N=N1)CC3=CC=CC=C3 1 3.266 5 1 -16.4431113782947 5158618 CCOC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=S)N2 1 4.665 2 1 -13.7407110856488 5158617 C1=CC=C(C=C1)CC(=O)NNC(=S)NC(=O)C2=CC=CS2 1 2.661 3 2 -10.9228188861309 5158449 CC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)OC)C(=O)NC(C)(C)C 1 2.945 3 2 -4.61088772715102 5158448 CC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)OC)C(=O)NC 1 2.014 3 2 -1.28024279652659 5158445 CC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)S2)CC=C 1 3.304 5 3 0 -23.833589859099 5158373 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 0.906 3 4 0 -12.9173057696657 5158230 CC(=NNC1=CC=C(C=C1)F)C2=CC=NC=C2 1 2.484 3 0 -0.363178693948318 5158122 CCC(C)NC(=O)NC1=CC=CC=C1F 1 2.401 2 1 -11.8864979390721 5158096 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3 1 1.53 4 3 0 -21.6818764703761 5157994 CC1C(=O)N(C(=O)CS1)CC(=O)NC2CCCCC2 1 0.933 2 3 0 -15.7861137621367 5157698 CCOC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C 1 0.532 2 6 0 -14.270551637063 5157670 CC1=NC(=NC(=C1)C2=CC=CC=C2)NN=CC3=CC=C(C=C3)N(C)C 1 3.945 5 0 -3.01206667484374 5157651 COC1=C(C=C(C=C1)[N+](=O)[O-])C=NNC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4 1 3.287 8 3 0 -3.6693756803507 5157603 C1=CC(=CC=C1C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)F)Br 1 2.973 3 2 -7.6645729585531 5157550 CC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3OC(C2=O)C4=CC=CC=C4 1 4.479 1 3 -1.09215782201577 5157485 COC(=O)C1=C(C2=C3CCCCC3=C(N=C2S1)C4=CC=CC=C4)N 1 4.6 2 2 -3.36438934685234 5157422 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=C(O3)C4=CC(=CC=C4)Cl)O 1 4.336 2 3 1.91409072284204 5157388 CC1=CC=CC=C1CC2C(=O)N=C(S2)NN=CC3=CC=CO3 1 3.872 3 2 -5.17776169062249 5157361 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=NC=C3)[N+](=O)[O-] 1 1.77 5 4 0 -14.6287370226143 5157276 C1CN(CCC12OCCO2)C(C3=CC=CO3)C4=C(N5C(=NC=N5)S4)O 1 1.984 4 4 0 -8.43738449578194 5157223 COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2CCS(=O)(=O)C2)[N+](=O)[O-])OC 1 0.114 2 9 0 -22.5598765479477 5157220 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)CNS(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 2.672 3 5 0 -9.08422692001509 5157219 COC1=CC=C(C=C1)NC2=C3C=CSC3=NC=N2 1 3.184 3 1 1.37070357083949 5157174 CNC1=C(CC(=C(N1C)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-] 1 2.247 7 5 0 -1.49991254652162 5157141 CCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC=C(C=C3)C 1 3.14 2 2 -8.8444444876711 5157140 CCCN1CC2=CC=CC(=C2C1=O)C(=O)NCC3=CC=CC=C3OC 1 2.645 2 3 -14.8789188495612 5156992 COC1=CC=CC=C1C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)NS(=O)(=O)C 1 3.31 3 4 0 -12.564874974111 5156980 C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Cl 1 2.729 3 4 0 -8.55098597957983 5156913 CCC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2C)SC(C3)C 1 2.413 3 2 -19.2963583708521 5156871 C1=CSC(=C1)C2NC(=O)C(=C(N2C3=CC=C(C=C3)F)S)C#N 1 3.847 3 1 -6.82197834007855 5156861 C1CN(CCN1C2=CC=CC=C2F)C(CNS(=O)(=O)C3=CC=CS3)C4=CN=CC=C4 1 2.962 4 2 -14.1928096760824 5156859 CS(=O)(=O)NCC(C1=CN=CC=C1)N2CCN(CC2)C3=CC=CC=C3F 1 1.599 4 2 0 -11.4005271226336 5156842 C1=CC=C2C(=C1)C3=C(C=NN3CC(=O)NCC4=CN=CC=C4)C(=O)O2 1 1.384 4 3 0 -19.841978872499 5156767 CCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 2.697 1 6 0 -17.807650895825 5156732 CC1CN(CC(O1)C)C(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)NCC(C)C 1 3.118 2 4 -15.6885933980469 5156725 CC1CN(CC(O1)C)CC(=O)C2=C(N(C(=O)N(C2=O)C)CC3=CC=CC=C3)N 1 0.903 4 4 0 -13.3207846875285 5156696 COC1=CC=CC(=C1)CNC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl 1 2.944 3 3 -7.27745939310435 5156639 C1CNC(C2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4 1 3.915 2 2 -9.38934969026024 5156598 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CO2 1 2.101 1 4 -12.1184957297376 5156431 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)OC)OC 1 3.45 1 5 -15.6058093666242 5156429 CC(=NNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)N4CCOCC4 1 4.325 5 5 0 -5.53680532654203 5156357 C1=CC=C(C(=C1)C=NN2C(=NNC2=S)C(F)(F)F)[N+](=O)[O-] 1 3.065 5 2 0 -5.79693086593442 5156328 C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CS5 1 3.136 3 4 0 -0.164667032791971 5156301 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5 1 4.84 4 3 0 -17.4306948169193 5156292 C1=CC=C(C(=C1)CCNC2=NC(=S)NC3=CC=CC=C32)Cl 1 4.765 3 0 -5.12826339700644 5156240 CC1=NNC(=O)C1CCC(=O)NN=C(C)C2=CC=CC=C2 1 0.641 4 2 0 -21.4955993082201 5156184 CN(C)CCCN(CCCN(C)C)C(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 2.255 5 3 0 -24.8330686849078 5156098 COC1=CC=CC=C1S(=O)(=O)CC(COC2=C(C=C(C=C2)F)Cl)O 1 3.33 0 5 -9.58957299214671 5156097 C1COCCN1C2=C(C=C(C=C2)C=NOC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-] 1 3.093 3 5 0 -1.69922656726438 5156058 CN1C2CS(=O)(=O)CC2SC1=S 1 1.497 1 2 0 -7.59523311772522 5156072 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSC3=NC=NN3)Cl 1 0.779 5 4 0 -26.0165137797275 5156027 CN1C=CC=C1C(C#N)C2=CC=CC=C2C#N 1 2.708 3 0 -2.18196300831155 5155971 C1=CC=C(C=C1)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=S)N 1 4.114 2 0 0.61286899147076 5155972 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC(=C(C=C3)F)F 1 3.465 1 2 -12.7509400354089 5155974 C1=COC(=C1)C(=O)CSC2=NN=C(S2)N 1 1.291 3 2 0 -8.8214703116145 5155978 CCOC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2CCCCC2 1 -0.344 1 4 0 -8.35509642902496 5156010 C1CC1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.293 2 5 0 -23.226976261341 5156007 C1CC2=C(C1)C=C(C=C2)NC(=O)CC3=CC(=CC=C3)F 1 3.912 1 1 -6.46180879184748 5155994 CCCCNC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S 1 4.255 3 2 -15.2975514784894 5155945 CC1=CC(=C(C=C1)OCC(=O)NN=CC2=CC=C(O2)C)[N+](=O)[O-] 1 2.44 3 5 0 -7.21486655558526 5155942 CC1=CC(=C(C=C1)OCC(=O)NN=CC2=CC=CS2)[N+](=O)[O-] 1 2.852 3 4 0 -8.07250483126302 5153448 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CN=CC=C3)CC4=CC(=O)NC(=O)N4 1 2.173 6 3 0 -20.5364806060487 5153423 CC(=O)N1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C 1 -4.6e-002 4 4 0 -12.7837089861033 5153415 CCCCCNC1=NC=NC2=C1N(C3=CC=CC=C32)C 1 3.839 4 0 -0.815628434935309 5153399 CC1=CC=C(C=C1)C2CC(=O)N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)F 1 4.024 1 2 -10.3276703561997 5153388 CN1C=C(C(=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)Cl 1 0.769 4 5 0 -13.8740355382373 5153374 CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl 1 3.874 4 5 0 -9.16763217527512 5153332 COC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC4=C(C(=CC=C4)OC)OC3=O 1 3.684 2 4 4.58826899601922 5153272 CN1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)N(C(=O)N3C)C 1 2.372 6 2 0 -11.2132012701972 5153171 CCCCC1C(=O)NC(=S)NC1=O 1 1.683 2 2 0 -9.40472371680744 5153151 C1=C(C=C(C=C1Cl)Cl)NNC(=S)N 1 3.082 3 0 5.93859944473962e-002 5153059 CC1N(CCS1)S(=O)(=O)C2=CC(=C(C=C2)OC)C 1 2.009 1 3 -11.9393617295448 5153057 CC1=C(SC(=N1)NC(=O)NC2=CC=C(C=C2)Cl)C 1 2.612 3 1 -1.73506242449278 5153040 C1=CC=C(C=C1)C2C(C2(Cl)Cl)C=NNC(=O)C3=CC(=CC=C3)Cl 1 4.052 2 1 -1.06613356997574 5153038 CCC1=CC=C(S1)C(=O)C2=CC=CC=C2C(=O)O 1 3.629 0 3 -5.68541181426383 5153035 CC1CCCCN1C(=S)NC(=O)C2=CC=CO2 1 3.137 2 2 -10.6076928684554 5152984 CCCCOP(=O)(C(C1=CC=C(C=C1)N(C)C)O)OCCCC 1 3.558 1 4 -6.81834962351978 5152963 C1=CC=C(C=C1)CN2C(=C(C3=C2N=CN(C3=N)CCCO)C4=CC=CC=C4)C5=CC=CC=C5 1 4.869 4 1 2.64692195500963 5152952 CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F)C 1 3.281 1 7 0 -18.8453665888773 5152793 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)NC4=NC5CS(=O)(=O)CC5S4 1 3.412 4 3 0 -6.80061935786411 5152791 COC1=CC=CC(=C1)CN2CCOC3=CC=CC=C3C2=O 1 2.613 1 3 -4.30689186674146 5152789 CC1=CC=C(C=C1)OC2=NNN=N2 1 2.246 4 1 -0.902557060542531 5152782 CC1=CC=C(S1)C2=CC(=NN2)C(=O)NN=C(C)C3=CC=CO3 1 2.84 4 2 -2.65726257833258 5152763 COCCN1C(=O)C2=CC=CC=C2SC1=O 1 1.845 1 3 0 -3.28490900449572 5152637 CCOC1=CC=CC=C1NC(=O)C2=CN=C(C=C2)N3C=NC=N3 1 1.878 5 2 0 -13.6745484149277 5152621 C1=CC(=CC=C1NC(=O)C2=C(OC3=CC(=O)C=CC3=C2)N)F 1 1.347 2 3 0 -2.18034359793029 5152527 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 1.805 5 5 0 -4.61233469482843 5152507 CCOC1=C(C=C(C=C1)C(=O)CCC(=O)NCC(=O)OCC2=CC=CC=C2)OCC 1 2.948 1 6 0 -20.1347054721637 5152494 CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4 1 3.402 6 0 -3.49137889169626 5152482 CC(=NNC1=CC=CC(=C1)C(=O)O)C2=CC(=C(C=C2)OC)OC 1 3.026 2 4 -6.72376124741831 5152413 CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCC3 1 3.948 3 2 -22.2833649432776 5152343 CC1=NC(=O)C=C(N1)CN2CCCCC2 1 0.473 3 1 0 -4.78356714025221 5152342 CC(C(=NO)C)OC1=CC=C(C=C1)Cl 1 2.611 1 2 1.75891702528562 5152307 COC1=CN=C(N=C1SC2=CC=CC=C2Cl)C3=CC=CC=N3 1 4.254 3 1 2.06477124817652 5152305 CC(=NNS(=O)(=O)C1=CC=C(C=C1)Br)C2=CC=C(C=C2)N3C=CN=C3 1 2.784 4 2 -5.40914594574335 5152293 CCCCNC(=S)NCC1=CC2=C(C=C1)N(C(=C2)C)C 1 4.214 3 0 -11.5370551707828 5152285 CC1=CC=C(C=C1)CSCC(=O)NCCC2=CC=CC=C2 1 3.829 1 1 -13.1335899298178 5152261 CCC1=CC(=CC=C1)OC2=NNN=N2 1 2.703 4 1 -0.436174156435183 5152238 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=C(C=C3)Cl)C4=CC=CO4 1 3.25 8 3 0 -21.3019004767556 5152223 CC(C(=O)NC1=CC=CC=C1C#N)Cl 1 1.846 2 1 0 -6.67608646207822 5152210 C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=NC=CC=N2 1 2.503 4 1 -6.87047222203453 5152177 CC(C(C)(C)C)NC(=O)NC1=CC=CC=C1F 1 2.994 2 1 -10.9430775212728 5152166 COC1=C(C=CC(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])NC(=O)C3=CC=CO3 1 2.192 3 7 0 -10.5305113470121 5152125 C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)NC4=CC=CC=C4 1 2.272 2 4 -12.6586925427307 5152118 COCCNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2 1 2.139 4 2 -20.0246544140349 5152025 CC1=CC=CC=C1N2CC3=CC=CC=C3C2 1 3.815 1 0 2.66862062685887 5151944 COC1=C(C=CC(=C1)C2C(CSC3=C2SC(=O)N3)C(=O)OC)O 1 2.283 1 5 -4.58889501368962 5151840 CC(=NNC1=C(C=CC(=C1)C(F)(F)F)Cl)C2=C(C=C(C=C2)OC)OC 1 5.003 2 2 2.43598715802363 5151744 CC1=CC(=O)N=C(N1)NN=CC2=CC=C(S2)Br 1 1.929 4 1 0 -8.85161216747067 5151557 CCSC1=NC(=NC2=C1CCCC2)C3=CC=CC=C3 1 4.621 2 0 0.399743750659106 5151543 CN1CCN(CC1)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O 1 2.927 2 2 5.23940779552524 5151541 CC1=CC=C(C=C1)NC(=O)C(C)N2CCC3=CC=CC=C3C2 1 3.585 2 1 -11.506795774203 5151511 CC1=CC=CC=C1CC2C(=NNC2=O)C 1 1.777 2 1 0 -9.27789486273447 5151480 C1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)Cl 1 4.489 2 0 -3.40853041608659 5151460 CCOCCN1C2=CC=CC=C2N=C1C(C)C 1 3.159 2 1 -7.97209938897393 5151446 CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)N3CCCC3 1 2.368 2 1 -1.83855017068347 5151397 CCOC(=O)NN=C(C)C1=CC=CS1 1 1.944 2 2 0 -9.7816481346121 5151378 C1CC(OC1)CNS(=O)(=O)C2=CN=C(C=C2)Cl 1 0.822 2 3 0 -10.7498551892029 5151357 C1CCN(CC1)N=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.039 3 2 -1.47682032325247 5151307 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3CCCO3 1 2.759 2 4 -25.4567440285117 5151215 C1CCC(C1)N2C(CCC2=O)C(=O)NCC3=CC=CC=N3 1 1.08 3 2 0 -14.3386212315906 5151210 C1=CC(=CC=C1C(=O)OCC2=CN=C(S2)Cl)Cl 1 3.343 1 2 -1.28261494429109 5151092 CNC(=O)C1=C2C=C(C=CC2=NC3=C1CCCC3)Br 1 3.493 2 1 -2.84486343228741 5151067 COC(=O)C1CC2=C(C(=O)C1)SC=C2 1 1.715 0 3 0 -6.57457966976986 5151042 CC1=CCC(CC1=NNC(=S)NC2=CC=CC=C2)C(=C)C 1 4.997 3 0 -7.77732760836493 5151032 C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCN4C(=O)C5=CC=CC=C5N=N4 1 4.286 7 1 0 -21.553099465519 5150995 C1C(C(=NN1)C(=O)C2CO2)C3=CC=CC=C3 1 0.66 2 2 0 -5.93328851396265 5150994 COC1=NC(=NC(=N1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])OC 1 3.594 4 5 0 -2.59924798640183 5150993 CC(C1=CC=CC=C1)NC(=O)C(=O)NN=C2CCCCCCCCCCC2 1 4.796 3 2 -12.3765881561036 5150932 CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CCl 1 2.362 3 2 -13.0046614413586 5150911 CC1=CC(=C(C=C1)C)OC2=NC=NC(=C2[N+](=O)[O-])N 1 2.809 4 3 0 0.525141453851427 5150902 CCCNC(=O)C1=CC(=CC=C1)COCC(F)(F)F 1 2.722 1 2 -11.8176765877813 5150870 CC(=NNC1=NC(=CS1)C2=CC=CC=C2)C 1 2.062 3 0 1.31868468339403 5150862 CCCC(C)C(=O)OCC(=O)NCC1=CC(=C(C=C1)OC)OC 1 2.673 1 5 -19.5423967952281 5150852 C1=CC=C(C=C1)C=NNC2=CC(=O)NC(=O)N2 1 0.774 4 2 0 -8.42405464707765 5150753 C1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(O3)Br 1 3.108 2 2 6.79419428278716 5150748 CC1=CC=C(S1)C(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.674 4 2 -8.57549109602507 5150720 C1CC1C2=NC(=S)NN2C3=CC=CC=C3 1 2.772 3 0 -0.333877644461674 5150707 CC1=CC(=CC=C1)N2C(=O)CCC2=O 1 1.476 1 2 0 -4.68577123319589 5150680 CN1C=NN=C1SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F 1 3.044 4 1 -15.0554080037759 5150646 CCC(C)NC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31 1 4.267 2 1 -6.21909328249085 5150607 CC1(CC1(Br)Br)C(=O)N2CCN(CC2)C 1 1.372 2 1 0 -0.829920242838178 5150581 CCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)N4C=CC=C(C4=N2)C 1 2.417 4 3 0 -21.1960973771137 5150277 CC1=CC=C(C=C1)C(CC(=O)NCCCN(C)C)C2=CC=C(C=C2)OC(C)C 1 4.21 2 2 -11.5494891275247 5150250 CCOC(=O)C1C(C(OC1=O)(C)C)C(C)C(=O)C2=CC=CC=C2 1 2.774 0 5 -8.29207891086818 5150031 CC(C1=CC(=NO1)C2=C(C=C(C=N2)C(F)(F)F)Cl)Cl 1 4.277 2 1 5.23404221998744 5150015 COC1=C(C(=NC=C1)OC2=CC=CC=C2)C(=O)N=CNOC 1 1.782 3 4 0 -3.59960228452672 5149995 CC1=CC=C(S1)C(=O)CC2(C3=CC=CC=C3N(C2=O)C)O 1 1.939 1 3 0 -5.02856095488974 5149993 C1CCNC(=O)C(C1)NC(=O)CNC(=O)OCC2=CC=CC=C2 1 0.772 3 4 0 -22.9164716570281 5149984 CC(C)(C)C1COC2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)Cl 1 4.781 1 2 -2.41504869530689 5149963 CC1(COC(=N1)C2=C(C=CC=C2OC)OC)C 1 2.314 1 3 -1.03160630479894 5149956 CC1=CC(=C(C=C1)OC)CN2C3=CC=CC=C3N=N2 1 3.694 3 1 -5.53407022183716 5149938 COC1=C(C=C(C=C1)CCNC(=O)C(=O)NN=C2CCCCCCC2)OC 1 2.882 3 4 0 -17.0897787583524 5149927 CC(C)(C)C1COC2=CC=CC=C2N1C(=O)C3=CC=CC=C3Cl 1 4.781 1 2 -5.97555438618306 5149897 CCC1C(=O)NC2=CC=CC=C2N1C(=O)C3=CN=C(C=C3)Cl 1 2.357 3 2 -17.8578438794591 5149886 CC1=CC(=NC(=N1)NN=CC2=CC=NC=C2)C 1 0.968 5 0 0 -3.63175491522304 5149882 CC1CCCCN1CC(C2=CNC3=CC=CC=C32)O 1 2.981 2 1 -0.81391866850092 5149864 CC1=C(C(=NO1)C)C(=O)NC 1 -8.e-002 2 2 0 -10.5884792534963 5149832 CC(C(=O)C1=CNC2=CC=CC=C21)N3CCSCC3 1 2.786 2 1 -2.098284554521 5149831 CCOC1=CC2=C(C=C1)N=C(N2)SCC3CC3(Cl)Cl 1 3.786 2 1 -1.71028991011565 5149816 CC(=C1C2CCC1C(C2C(=O)NC3=C(C=CC(=C3)OC)OC)C(=O)O)C 1 2.808 1 5 -7.74515004771966 5149684 CCN(C1=NC2=CC=CC=C2N1)N=CC3=CC=C(C=C3)N(C)C 1 3.585 5 0 -0.530351614278429 5149428 CC1CCCCN1CC2=CC(=O)OC3=CC(=C(C=C23)C)C 1 4.2 1 2 -4.40786717396143 5149424 CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 3.372 3 2 -17.2549845860018 5149390 C1CCOC(C1)CSC2=NC3=CC=CC=C3N2 1 3.244 2 1 -6.47136455308539 5149365 C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)C3=CC=C(C=C3)Br 1 3.566 1 2 -8.35419312179537 5149352 CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)OC 1 3.843 2 3 -14.6486931866462 5149302 CC(=NNC1=CC=CC=N1)C2=CC=CS2 1 2.771 3 0 -1.57776395211922 5149297 CC(=NNC1=NC(=CS1)C2=CC=CC=C2)C3=CC=CS3 1 3.689 3 0 -0.722441139611791 5149280 C1=CC2=NC(=CN2C=C1Cl)CSC3=NC=NN3 1 1.877 5 0 0 -7.7331853770356 5148800 CCNC(=S)NN=C(C)C1=CC2=CC=CC=C2C=C1 1 3.469 3 0 -5.12829875683948 5148266 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 3.414 2 2 -9.7780362289126 5147972 CC1=CC=CC=C1NC2=NN=C(CS2)C3=CC=CC=C3F 1 4.415 3 0 -0.728012324103172 5147935 CCNC(=S)NN=C(C)C1=CC(=CC=C1)C(F)(F)F 1 3.503 3 0 -4.67950605544057 5147852 CN1CCC23CC(=O)CCC2C1CC4=C3C(=C(C=C4)OC)O 1 2.009 1 3 -0.232212876118098 5147829 CC1CCC2=CC=CC3=C2N1C(=CC3=O)O 1 2.914 1 2 -1.39612518398202 5147800 CCCCNC(=S)NN=C1CCCCC2=CC=CC=C21 1 4.778 3 0 -15.1996710076756 5147767 CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=CC=C(O3)COC4=C(C=C(C=C4)Cl)Cl 1 6.672 3 3 -5.04886709524011 5147754 CC(C(=O)NNC)NC(=O)C1=CC=C(C=C1)Br 1 0.838 3 2 0 -11.2919854655736 5147709 CC1=C(N=C(S1)NN=CC2=CC=CO2)C3=CC=CC=C3 1 3.296 3 1 0.754248168307645 5147688 C1=CC(=CC(=C1)F)CSC2=NN=C(S2)NC(=O)C3=CC=CO3 1 3.356 3 2 -13.1066587687251 5147646 CCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=C2)C)C(=O)OC4=CC=CC=C43 1 4.37 2 4 -6.31041404792771 5147612 COC1=CC=C(C=C1)CNC(=O)C2=CSC3=C2CCCC3 1 3.65 1 2 -9.0470190590164 5147604 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N)C 1 0.183 3 2 0 -13.5691654544376 5147586 C1CCC(CC1)C(=O)NC2=NN=C(O2)C3=CC=CO3 1 2.312 3 3 0.222475529075705 5147554 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)N=CS4 1 3.81 3 1 -5.60458378174657 5147385 CCC1=C(OC2=C1C3=C(C=C2)C(=CC(=O)O3)C)C(C)O 1 3.549 0 4 -3.28908242785537 5147261 COC1=CC(=C(C=C1)NC2=C3CCCC3=NC4=CC=CC=C42)OC 1 4.597 2 2 3.40952624768606 5147260 C1OC2=C(O1)C=C3C(=C2)N=C(S3)NNC(=O)C4=CC=C(C=C4)F 1 2.598 3 3 -1.16733465087526 5147248 CC(C)CCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3NC2=O 1 3.336 2 2 -17.2457952267417 5147247 CC1CCCN(C1)C(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 2.237 2 2 -10.0199874801396 5147240 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C 1 1.08 2 4 0 -24.2221328234898 5147239 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C 1 2.309 2 3 -22.2639501020401 5147138 COC1=C(C=C2C(=C1)C=CN=C2C(C3=CC(=C(C=C3N)OC)OC)O)OC 1 2.105 2 5 0 -3.97751774230362 5147088 CCC(=O)N(CCC1(CCOC(C1)C(C)C)C2=CC=CC=C2OC)CC3=CC=CO3 1 4.262 1 4 -14.0819856796849 5147052 CC(C)(C)C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 4.26 2 4 -17.813478305982 5147036 C1C(C2=C(C(N1)C3=CC=C(C=C3)C(=O)O)NC4=CC=CC=C42)C5=CC=CC=C5Cl 1 2.473 2 2 -10.325096947414 5146976 CC(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CS3 1 3.482 1 3 -13.4275025703148 5146959 CC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)CC(C)C 1 4.376 2 3 -7.65731940453615 5146955 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCSC2C3=CC=C(C=C3)Br 1 6.216 2 2 -18.4088890992594 5146945 COC1=C(C=C(C=C1)C2C=C(NC(=S)N2)C3=CC(=CC=C3)OC)OC 1 3.722 2 3 -7.20620067670476 5146797 CC1=CC(=C2C(=C1)SC3=NC(NC(=O)N23)(C4=CC=CC=C4)C(F)(F)F)C 1 5.704 3 1 -2.26235342370384 5146720 CCN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC 1 1.912 3 6 0 -12.4774745955708 5146715 CC(C)NC(=S)NN=C(C)C1=CC(=CC=C1)NC(=O)C 1 2.058 4 1 -14.8463118173041 5146358 C=CCN(C1=CC=CC=C1)C(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.191 3 3 -16.3497355291386 5146356 CC1=NNC(=O)C1CCC(=O)NN=CC2=CC(=C(C=C2)Cl)Cl 1 1.99 4 2 0 -18.396286117912 5146290 CCNC1=NC2=C(S1)C3=C(C(C(=C(O3)N)C#N)C4=CC=C(C=C4)C)C(=O)N2 1 1.947 5 2 0 -14.1691838668131 5146197 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CN=C4N(C3=O)C=CS4 1 1.247 4 2 0 -18.3249011021366 5146092 C#CCOC1=CC=CC=C1C=NNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3 1 5.426 2 3 -7.88906835614211 5146020 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4 1 2.339 2 5 0 -21.409331688317 5145940 CC(C)CCNC(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)CC3=CC=CO3 1 3.216 2 3 -22.1929313823279 5145891 C1=CC=C2C(=C1)C=CC=C2N=C3N(C(=O)C(S3)CC(=O)NC4=CC=CC=C4Br)CC5=CC=CC=N5 1 5.413 4 2 -6.97185200314163 5145715 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4 1 1.96 2 5 0 -19.6679597099081 5145674 C1CC1NC(=O)COC(=O)C2=NC(=CC=C2)C(=O)OCC(=O)NC3CC3 1 0.346 3 6 0 -14.6116344879769 5145663 CCCC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=C(C=C2)C)C3=CC=CC=C3 1 3.185 3 3 -11.057532068994 5145607 C1CCC(=O)C(C1)OC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.129 1 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2.08056015273867 5143567 CC1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.103 7 4 0 -7.45185655239602 5143545 C1CCC(CC1)N2C(=NN=C2SCC(=O)NN=CC3=CC=CC=C3OCC(=O)O)C4=CC=C(C=C4)Cl 1 5.101 5 4 0 -15.7344094370839 5143519 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)C(=O)C4=CC=CC=C4F 1 3.214 5 3 0 -5.81982406893715 5143505 CC(C)CNC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2 1 2.379 3 3 -11.9625695475954 5143490 CC(=NNC(=O)CC1=CC(=C(C=C1)OC)OC)CC(=O)NCC2=CC=CO2 1 1.146 3 5 0 -16.7192965454089 5143476 C1CCC(=CC1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F 1 2.375 2 4 -24.4064479005091 5143423 CN(C)P(=O)(NC1=CC=CC2=CC=CC=C21)NC3=CC=CC4=CC=CC=C43 1 3.442 3 1 0.779324894395655 5143377 CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCC3(CC2)OCCO3)SC4=CC=C(C=C4)F 1 2.753 2 4 -8.8051579348367 5143254 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NC3=CC=CC=C3 1 2.885 3 3 -10.2881873239689 5143253 C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)NC4=CC=C(C=C4)Cl)N)N5CCOCC5 1 4.636 4 2 -7.43677469097095 5143234 CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)O)C4=CC=C(C=C4)F)SC2=S 1 6.012 3 4 0 -18.5819755398917 5143201 CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl 1 1.846 4 4 0 -30.7637151405479 5143164 CC1=CC=CC=C1C(C2=CC=CC=N2)O 1 2.495 1 1 -2.56796158826464 5143081 CC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CS4 1 4.096 3 3 -8.23429629277267 5143051 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CNC(=O)C3=CC=CC=C3 1 0.959 3 6 0 -28.4961470774727 5143027 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CC3=CC=CC=C3 1 1.933 3 4 0 -19.6981308968915 5142969 COC1=CC=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)NC3=CC=CC=C3 1 1.499 3 4 0 -9.22868837974183 5142944 CCC(C1=CC=C(C=C1)C)NC(=O)C2CCC2 1 3.558 1 1 -4.02901274567705 5142912 CCOCC(=O)NCC1=CC2=C(C=C1)N(C(=C2)C)C 1 1.687 2 2 0 -11.5736436757588 5142875 CC1=NOC2=C1C(=NC=N2)OC3=CC=C(C=C3)C(C)(C)C 1 3.686 3 2 4.50997011275372 5142854 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 2.14 9 3 0 -20.1998206076549 5142851 COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)CC34CC5CC(C3)CC(C5)C4 1 2.036 2 7 0 -27.7065772631015 5142751 CCC(=NNC(=O)C1=C(N=C2N1C=CC=C2)C)C3=CC=CC=C3 1 2.782 4 1 -7.81896450889928 5142732 CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 2.455 2 2 -16.7654417924301 5142668 C1CC(OC1)CNC2=C(N=C(O2)C3=CC=CC4=CC=CC=C43)C#N 1 3.16 3 2 -1.84079153493741 5142666 CCCCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=C4C(=O)C(=CN(C4=N3)CC)C(=O)O 1 3.578 6 5 0 -15.4397945723623 5142655 CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)Cl 1 4.124 5 1 -8.87407582431629 5142553 CC1=NN(C(=C1C=NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCCC4)Cl)C5=CC=CC=C5 1 5.508 5 2 0 -4.19964448957248 5142510 CS(=O)(=O)N1C(CC(=N1)C2=CC=CO2)C3=CC=C(C=C3)Cl 1 2.602 2 3 0.503110117144112 5142425 CC(C1=CC=CC=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.639 2 5 0 -25.5732613437236 5142274 C1CCN(C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5 1 4.567 2 2 -2.12383991919653 5142265 COC(=O)C(CCSC)NS(=O)(=O)C1=CC=C(C=C1)Cl 1 1.924 1 4 0 -18.341553445911 5142258 CC1=CC(=NC(=N1)N2CCOCC2)NN=CC3=CC=C(C=C3)OC 1 1.589 5 2 0 0.273495246516644 5142185 C1CCC(C(C1)NS(=O)(=O)C2=CC=CC=C2)OC3=CC=CC=C3 1 3.804 1 3 -8.09133301399967 5142145 CC(=O)NC(=S)NC1=C(C2=C(S1)CCCCC2)C#N 1 3.606 3 1 -21.6072453080002 5142114 CC(=NNC1=NC(=O)C(S1)CC2=CC=CC=C2)C3=CC=CC=C3 1 3.971 3 1 -7.83446260554043 5142024 COC1=CC=C(C=C1)N2NC3=C(NN=C3N2)N 1 0.57 6 1 0 -0.690436445324088 5141973 CC1=C(C2=C(C=C1)N=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3 1 4.438 3 1 -5.86939416687692 5141879 CC(C)COC(=O)C1C2C=CC3(C1C(=O)N(C3)C(C)C4=CC=C(C=C4)OC)O2 1 2.315 1 5 -1.50601649801388 5141839 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)NC(C1=O)CC(=O)NC3=C(C=C(C=C3)C)C 1 2.109 4 4 0 -19.1795417682223 5141795 CC(C)N(CCC1=CC=NC=C1)C(=S)NC2=CC(=C(C=C2)F)Cl 1 5.398 3 0 -3.73139689433303 5141789 CCOC1=CC(=C(C=C1)[N+](=O)[O-])N 1 1.31 2 3 0 -2.44394695153264 5141758 CC(C)C(=O)NC1=NC2=CC3=C(C=C2S1)OCCO3 1 2.491 2 3 -7.65864127638256 5141739 CCC(CC)NC(=O)COC1=C(C=C(C=C1)OC)C=O 1 2.39 1 4 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CC1=CC(=CC=C1)CSC2=NN3C(=CC(=NC3=N2)C)C 1 3.938 4 0 -9.21824115384205 5140889 CC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C(C)(C)C 1 2.835 3 3 -11.5191592879247 5140869 C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)N(CCC#N)C4=CC=CC=C4 1 2.457 3 4 0 -16.9676020217544 5140615 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCN3C(=O)C4C5CC(C4C3=O)C=C5 1 1.237 3 4 0 -6.73519008735455 5140593 CC1=C(SC=C1)C=NNC2=NC3=CC=CC=C3N2 1 3.308 4 0 4.71969136879297 5140509 CC1=CC(=C(O1)C)C(=O)NN=C2CCCC(=O)C2 1 0.801 2 3 0 -9.2394478643438 5140468 CCOC(=O)CC1=CSC(=N1)SC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C 1 2.277 3 4 0 -18.3857542381984 5140222 CCC(C)(C(=O)NC1CCCCC1)N(CC2=CC=CO2)C(=O)CC3=CC=CS3 1 4.235 2 3 -22.7193919237761 5140198 C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=CC(=CC=C5)[N+](=O)[O-] 1 2.753 6 5 0 -5.89024129336237 5140193 CC(C(=O)NN=CC1=CC=NN1C)OC2=C(C=CC(=C2)Cl)Cl 1 3.273 4 2 -10.0856686407659 5140192 CC1=NN(C(=C1)C(=O)N2C(CC(=N2)C(F)F)(C(F)F)O)C 1 1.105 4 2 0 -9.82759425886141 5140161 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-28.6588575013047 5133366 CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC=CC=C2O 1 3.228 1 4 -4.46194228936674 5133353 CCOC(=O)C1=CN=C2C(=C1NCCC(C(F)(F)F)O)C=NN2C 1 1.3 4 3 0 -9.022575241808 5133352 CC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)OC 1 4.286 0 3 -3.12873730954504 5133345 CC1=CC=C(C=C1)C(C#N)C2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F 1 5.697 3 0 2.54245764797075 5133312 CC1(CC2=C(CO1)C=C3C(=NC(=NC3=N2)SCC(=O)NC4=CC=C(C=C4)OC)N)C 1 2.511 5 3 0 -18.3951355158647 5133261 CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)CC4=CC=CS4 1 4.265 3 6 0 -9.80670668647631 5133237 CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-] 1 2.735 5 5 0 -30.3572826449283 5133178 C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)Br 1 2.316 3 3 -15.2986288697751 5133136 CC1=C(C(=NC2=NC=NN12)C)CC3=CC=C(C=C3)Cl 1 3.444 4 0 -9.62166662549578 5133072 CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)OC 1 3.558 3 4 0 -10.2216882743639 5132895 CCC(C)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C(=O)O)OC3=NC(=CC(=N3)C)C 1 5.307 2 4 -5.70495165038162 5132881 CC(C)C(C(=O)NCC(C1=CC=CC=C1)N(C)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 4.576 3 2 -16.0923781322939 5132840 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.626 3 4 0 -21.0703791088634 5132730 CCCCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCCO2 1 2.435 2 4 -19.984262319421 5132682 CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N 1 2.039 3 5 0 -25.2892152197398 5132587 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F 1 2.322 2 3 -9.64106484092222 5132401 CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CN=C(C=C2)N3C=NC=N3 1 3.593 4 2 -8.05146701507657 5132241 CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC 1 3.489 4 3 0 -21.5343454399857 5132223 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.34 2 4 -12.0656715413721 5132175 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O 1 4.508 1 6 0 -12.7053203021585 5132152 CN(C(=S)NCCOC)C1(CCCCC1=O)C2=CC=CC=C2Cl 1 4.158 2 2 -8.71607397230929 5132136 CC(C(=O)C)OC1=NN(C=N1)C2=CC=CC=C2 1 1.943 3 2 0 -1.87784566159491 5132135 CC1=CC=CC(=C1)C2=C3C=C(C=CC3=NO2)C(=O)C 1 3.656 1 2 3.79790360598626 5132132 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3 1 3.3 2 2 -1.33254023229952 5132058 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC5=C(C=C4)C=C(C=C5)OC 1 1.697 5 5 0 -14.6719630844888 5131956 CC1=CC(=NC(=N1)N2CCOCC2)NN=CC3=CC=CC=C3OC 1 1.589 5 2 0 0.648490843010721 5131866 CC(C)C(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NS(=O)(=O)C3=CC=CC=C3 1 2.841 2 8 0 -19.0724587089265 5131768 CCN(CC)CCN1C(NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)N(C)C 1 3.653 4 1 -10.8733249079684 5131781 C1=CC=C(C=C1)C(=O)NCCOC(=O)C2=CC=CC=C2 1 2.542 1 3 -11.2756342068687 5131737 CC(C)N1C(=O)N(C(CC1(C)C)(C)O)C2=CC(=CC=C2)Cl 1 3.004 2 2 0.64365423531885 5131736 CC(C)(C)NC(=O)C1CC1(C2=CC=CC=C2)C3=CC=CC=C3 1 3.585 1 1 -5.3567744663651 5131659 CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC(=O)NC(C)(C)C 1 2.446 6 4 0 -19.2731003739681 5131611 CC1=C(C=C(C=C1)OCC2=CC=C(O2)C(=O)OC)C 1 3.698 0 4 -4.75505944968302 5131593 CC(=O)C1=CC(=CC=C1)NC2CC(=O)N(C2=O)C3=CC(=C(C=C3)OC)OC 1 2.041 2 5 0 -13.9361469085663 5131512 C1CC1C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 0.145 6 3 0 -20.1349343966415 5131501 COC(=O)C1=CN(C=C(C1C2=CSC=C2)C(=O)OC)CCOC34CC5CC(C3)CC(C5)C4 1 3.054 1 5 -11.4959047875961 5131465 CC1=C(C(NC(=S)N1)C2=CC=CC3=CC=CC=C32)C(=O)N4CCOCC4 1 2.507 3 2 -23.7329470516196 5131455 CC(C)OC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CS3 1 2.96 1 4 -13.1708519562458 5131451 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)CCN4CCOCC4 1 3.919 2 4 -6.41287351864037 5131434 COC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC3=CC(=CC=C3)OC)CCC(=O)O 1 3.533 2 5 0 -9.80292769772746 5131369 C1=CC(=CC=C1C(=O)CC(=O)NC2=CC=C(C=C2)Cl)N 1 2.453 2 2 0.510195723820495 5131356 COC1=CC=CC(=C1)C=NNC(=O)C(=O)NC2=CC=CC=C2OC(C(F)F)(F)F 1 3.413 3 4 0 -9.36672368401097 5131355 CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.135 2 3 -16.4959101559583 5131252 CCC1=CC=C(C=C1)OCCNC2=C(C=CC(=C2)N3CCNC(C3)C)[N+](=O)[O-] 1 4.068 4 3 0 -3.62998587356145 5131196 CCCNC(=O)C1=NN(C(=N1)C)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.709 5 3 0 -7.16818754385324 5131167 CCOP(=O)(C(C1=CN=CC=C1)NC2=CC=CC=C2)OCC 1 2.282 2 3 -10.8319431983734 5131158 CC1(C2CCCC1C2S(=O)(=O)C3=CC=CC=C3)Br 1 3.353 0 2 -5.59632695802537 5131085 C1CC(=O)N(N=C1C(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4 1 2.714 4 2 -9.41890547157231 5131087 CC1CCCCN1C(=O)CSC2=NC3=CC=CC=C3N2 1 2.989 3 1 -8.67517441095179 5131098 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3C(=O)OCC(=O)NCC4=CC=CC=C4 1 3.577 3 4 0 -15.142004644081 5131068 CC(=NNC(=S)NCCOC)C1=C(C(=C(C=C1)Cl)Cl)Cl 1 4.074 3 1 -9.75063014004926 5130982 CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C5 1 4.64 3 3 -18.5205963897478 5130978 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-] 1 1.274 3 5 0 -12.0028428639064 5130970 CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)NCC3CCCO3 1 1.01 2 4 0 -15.1620433281899 5130911 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)N(C)C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.948 5 2 0 -14.5967615927811 5130856 CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)NCCC3=CC=CC=C3Cl)Cl 1 1.421 4 2 0 -13.3607730056103 5130855 CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)NCC3=CC=CC=C3Cl)Cl 1 1.1 4 2 0 -13.3479248373754 5130853 CCCCNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2 1 3.598 4 1 -19.3092281106652 5130852 C1COCCN1C(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3 1 2.163 4 2 -16.820051243929 5130792 CC1=C(C(=NN1)SCC(=O)NC2CCCCC2)[N+](=O)[O-] 1 2.312 4 3 0 -12.540722021179 5130765 CC1=C(C(=CC=C1)NC(=S)N2CCCCC2C3=CN=CC=C3)C 1 5.399 3 0 -1.32175640968939 5130757 CC1=CC=C(C=C1)S(=O)(=O)NC(=NC2CCCCC2)C3=CC=C(C=C3)Cl 1 5.458 2 2 -3.0887361012578 5130726 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=C3F 1 4.407 2 1 -0.449991852846302 5130652 CN1C2=CC=CC=C2N=C1SCC3=NN=C(O3)C4=CC=CC=C4 1 3.71 4 1 -4.42143592929642 5130645 C1CCN(C1)CC(COC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)O 1 4.664 1 2 -3.60242131668673 5130611 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4CCCO4 1 2.312 3 4 0 -13.9716791543731 5130532 CC1=C(N2C=CC=CC2=C1C=NNC(=O)CNC3=CC=CC=C3)C(=O)C4=CC=NC=C4 1 3.207 5 2 0 -11.3785154440682 5130521 CC1=CC=C(C=C1)CCNC(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3 1 4.66 4 1 -16.3521619634682 5130462 C1CNC(=C(C(=C(Cl)Cl)SC2=CC=C(C=C2)Cl)[N+](=O)[O-])N1 1 3.337 3 2 -2.30692088491202 5130381 CC1=C(C(NC(=S)N1)C2=CC=CS2)C(=O)OC(C)C 1 2.926 2 2 -28.9837718743864 5130372 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=NC=C2)CN3CCN(CC3)C4=CC=C(C=C4)F 1 3.424 5 2 0 -3.12971500783364 5130332 CN1C2=CC=CC=C2N(C1=S)N=CC3=CC(=C(C=C3)OC)OC 1 4.873 3 2 -5.36003576364794 5130310 CN1C2=C(C(NC1=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCC2 1 1.402 3 4 0 -19.5168457825373 5130296 C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(O2)CNC(=O)C3=C(C=CC=C3Cl)F 1 3.106 4 3 0 -24.8850748490067 5130283 CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NCC(=O)OC)C)Cl 1 2.222 4 5 0 -26.4313891528079 5130263 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)CC3=CC=C(C=C3)F 1 2.062 3 3 -8.30733672175317 5130255 CCOCCCNC(=O)C(C1=CC=C(C=C1)C)N(CC2=CC=CS2)C(=O)C3=CC=CC=C3O 1 3.87 2 4 -12.2844131447021 5130074 CCCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=CC=C1Cl 1 4.811 2 1 -12.664933728079 5130069 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C3CCCCC3)C4=CC=CC=N4)C 1 4.74 3 3 -21.8115182826016 5130063 COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 1 4.189 3 5 0 -17.8406126969765 5129972 CC1=CC=CC=C1NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.239 4 3 0 -15.0574007872663 5129973 COC1=CC(=C(C=C1)OC)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.72 4 5 0 -15.0566242102633 5129974 CC(C1=CC=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.138 4 3 0 -19.5377742600865 5130025 C1CCN(C1)C(=O)CC2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)Cl 1 4.487 2 1 -7.67830325374365 5129970 CCOC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.086 4 4 0 -13.5745031456013 5129968 CC1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.246 4 3 0 -17.5778901009993 5129967 COC1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.744 4 4 0 -17.9908563101435 5129939 C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C(=O)C4C5CC(C4C3=O)C(C5Br)Br 1 1.991 3 3 0 -7.31668209353261 5129752 CC1=C(C(=CC=C1)C)NC2=NN=C(S2)SCC3=C(C=CC(=C3)C(=O)C)OC 1 4.579 3 2 -16.3475873975189 5129708 CCC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.696 4 3 0 -12.6347519205283 5129707 COC1=CC(=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32)OC 1 1.72 4 5 0 -16.9639920889302 5129705 C1=CC=C(C(=C1)CNC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32)Cl 1 2.425 4 3 0 -19.0389237580076 5129704 COC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.737 4 4 0 -12.8082799938933 5129703 COC1=CC=CC(=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.737 4 4 0 -12.8753417333851 5129699 CCC1=NN=C(S1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)C 1 3.264 4 3 0 -20.5439200691451 5129679 C1=CC=C(C(=C1)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=C(C=CC=C4F)F)F 1 5.927 2 1 -16.5150530685689 5129672 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)OC)OC 1 3.242 1 5 -12.6166513328332 5129669 CCOC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.244 2 6 0 -25.399880631369 5129657 CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)C4=CC=CS4)C5=CC=C(C=C5)OC)Cl 1 5.899 3 2 -6.82440772879615 5129581 CC1CCOC(O1)C2=COC3=CC=CC=C3C2=O 1 1.479 0 4 0 -2.69758631330395 5129485 CC(C)C(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)OC 1 2.623 5 2 0 -6.14574117453593 5129449 C1C(=O)N(C(S1)C2=CC=C(C=C2)F)C3=C(C=CC=C3F)F 1 3.855 1 1 -9.78103964401958 5129447 C1C(=O)N(C(S1)C2=CC=CC=C2)C3=CC=CC=C3F 1 3.444 1 1 -9.61947173778453 5129446 C1C(=O)N(C(S1)C2=CC=CC=C2)C3=C(C=C(C=C3)F)F 1 3.65 1 1 -9.56668221716382 5129182 C1=CC(=C(N=C1)[N+](=O)[O-])OCC(=O)C2=CC=C(S2)Cl 1 2.764 2 4 -1.28237762563436 5129099 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N(C)C4CCS(=O)(=O)C4 1 2.132 2 6 0 -19.3665658167805 5129096 CC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2)S(=O)(=O)N(C)C 1 2.812 2 4 -6.24159608266828 5128975 CCOC(=O)C(=NCC1CCCO1)NNC2=C(C=CC(=C2)Cl)Cl 1 3.27 3 3 -4.76436856259939 5128944 CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CCCC4=CC=C(C=C4)OC 1 3.854 5 2 0 -11.5734444525579 5128943 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3F 1 3.049 2 3 -10.7971047388865 5128922 CC(C1CC2CCC1C2)NC(=O)C3=C(N=CC=C3)SC 1 3.21 2 1 -12.1450891357005 5128909 CC1=C(C=CC(=C1)Cl)OCCCC(=O)OC(C)C(=O)N 1 2.578 1 4 -3.74078704521753 5128885 C1CC1C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 0.859 3 4 0 -11.9428503212965 5128834 CC1=CC2=C(N1)C=CC(=C2)CNC(=O)NC3=CC=CC=C3 1 2.968 3 1 -3.80256198613628 5128816 C1CCC2=C(CC1)ON=C2C(=O)NC3CCCC3 1 3.162 2 2 -13.5995929865997 5128747 CC(C(=O)NN=CC1=CC=CC=C1)OC2=CC=CC3=C2N=CC=C3 1 3.189 3 2 -9.84612261669442 5128725 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC(=CC=C3)OC)S(=O)(=O)N4CCCCC4 1 1.542 4 5 0 -23.7514454218739 5128646 COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=CN(N=C4)CC5=CC=CC=C5 1 3.933 6 2 0 -11.6383610538352 5128627 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=CC=C3OC)S(=O)(=O)N4CCCCC4 1 1.542 4 5 0 -27.2268993549727 5128597 CC(C)CCNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2 1 3.85 4 1 -20.8647123407147 5128596 C1=CC=C(C=C1)CCNC(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3 1 4.174 4 1 -17.460008330296 5128593 CN(C)CCNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2 1 2.408 5 1 -14.6753310683013 5128590 CC(C1=CC=CC=C1)NC(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3 1 4.23 4 1 -18.7889556678809 5128589 CCC(C)NC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2 1 3.519 4 1 -21.5918604829704 5128549 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=NC4=CC=CC=C4S3 1 3.064 4 5 0 -14.5483154955211 5128513 CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)OC4=CC=CC=C43)N)C#N)OC(=O)C5=CC=CS5 1 4.314 2 6 0 -22.3121444043197 5128497 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)Cl 1 1.991 3 4 0 -16.2147831408006 5128440 C1COCCN1C2=NC(=NC(=N2)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NC5=CC=CC=C5)N6CCOCC6 1 2.685 8 3 0 -11.5339362230339 5128409 C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)F)NC1=S 1 3.749 3 2 -13.0465813997144 5128174 CCOC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4 1 3.392 6 4 0 -24.1983627845996 5128077 CN1C=C(C2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.766 3 1 -5.17216920002916 5128071 C1COCCN1C(=O)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)Cl)Cl 1 5.389 3 2 -0.246103946593404 5127969 CC(C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)N3C(=O)C4=CC=CC=C4C3=O 1 3.487 3 3 -27.0182195967543 5127947 CCCCCOC1=CC=C(C=C1)CSCCNC(=S)NC2=CC=CC=C2 1 6.478 2 1 -11.0574061685402 5127941 CC1=C(C(=CC=C1)C)NC(=S)N(CC2=CC=CO2)C3CCN(CC3)C(C)C 1 5.622 3 1 -10.9769925847571 5127938 CC1=CC=C(C=C1)CCNC(=O)CNC(=O)C2=CC=CS2 1 2.442 2 2 -13.9420623439293 5127800 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.849 3 6 0 -27.4840774892279 5127650 CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4 1 1.871 2 8 0 -28.2677692917975 5127615 CCC(C)NC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)SC(=S)N2CC4=CC=CO4 1 5.395 4 3 0 -27.8500126330571 5127608 CCN(CC)C(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)SC(=S)N2CC4=CC=CO4 1 5.049 4 3 0 -24.3199116848624 5127594 CCCCCCCCCC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F 1 4.95 3 4 0 -7.91593202761494 5127590 COC1=CC=C(C=C1)N(CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC=NC=C5 1 3.305 3 4 0 -6.2667201805927 5127539 CCCCCC(=O)NC1=C2CCCC2=NC3=CC=CC=C31 1 4.236 2 1 -5.75840223629645 5127495 CC1=CC=CC=C1NC(=O)C2=C(NC3=C(C2C4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C)C 1 2.951 4 3 0 -28.9116040666401 5127394 CC(C(=O)NC1=CC(=C(C=C1)N2CCCC2)S(=O)(=O)NC3=CC=CC=C3OC)NC(=O)N 1 1.378 5 5 0 -14.4422891404387 5127299 CCC1=CC2CC(C1)C3=C(C4=C(C=CC(=C4)Cl)N=C3C2)N 1 4.5 2 0 7.51251726048052 5127265 CN1C(=O)C(=CN(C1=O)C2=C(C=CS2)C(=O)OC)C#N 1 0.457 3 4 0 -15.0466380921711 5127219 C1=CC(=CC=C1C2=CSC(=N2)N=CN(CCO)CCO)Br 1 1.305 3 2 0 11.6131385291986 5127143 CC(=NNC(=S)NC)C1=CC=C(C=C1)N2C=CN=C2 1 1.881 5 0 0 -8.99804527688642 5127128 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)NC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4 1 2.863 3 7 0 -22.63847751729 5127120 CCOC(=O)N1CCC(CC1)NC(=O)CC2=CC=CC=C2 1 1.435 2 3 0 -10.0853032327413 5127110 C1=CN=CC=C1C(=O)NCCCCCCNC(=O)C2=CC=NC=C2 1 1.148 4 2 0 -9.67829864447501 5127005 COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=N)N(C=N4)CCCO)OC 1 2.313 3 5 0 -4.81770315006379 5126928 COC1=CC2=CC(=C(N=C2C=C1)Cl)C=NNC3=CC=CC=N3 1 3.88 4 1 8.35902595298853 5126827 CN(C)C(CNC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=CC=CC=C3 1 4.533 4 3 0 -9.97886461804367 5126658 C1CC(=O)NN=C1C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 0.926 3 4 0 -18.0811595897628 5126479 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)NC(C)C34CC5CC(C3)CC(C5)C4 1 3.314 3 4 0 -13.0641934868658 5126387 CCCNC(=O)NC(=O)COC(=O)CC(C1=CC=C(C=C1)Cl)NC(=O)N 1 1.108 4 5 0 -14.6132831620185 5126380 CC1=CC=CC2=NC(=CN12)CSC3=CC=CC=C3C(=O)O 1 2.823 2 2 -5.46290253280292 5126267 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2CCCO2 1 0.771 2 6 0 -20.0029262238346 5126017 CN1C(=O)C2=C(C(=C(N2C3CCCCC3)N)C4=NC5=CC=CC=C5S4)C(=N1)[N+](=O)[O-] 1 4.045 6 3 0 -3.83739443223321 5126012 C1C2C=CC1C3C2C(=O)N(C3=O)NC(=O)C4=CC(=CC=C4)Cl 1 1.608 2 3 0 -1.80471975239864 5126002 CC1=CC=CC=C1N2C(=O)CC(C2=O)C3CC4C(C(=C3)C)C(=O)N(C4=O)C5=CC=CC=C5C 1 3.85 2 4 -5.42641952896697 5125956 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)CN(C2=O)C)S(=O)(=O)N3CCCCC3 1 0.408 4 5 0 -22.7494001066999 5125950 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=CC=C3F)S(=O)(=O)N(C)C 1 3.043 3 5 0 -17.1595080435338 5125843 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=CC=C4 1 2.286 2 4 -7.45960233600089 5125666 CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3CCCC3 1 3.982 4 1 -8.64729783403629 5125585 CC(C)CCC(=NNC(=O)COC1=CC=CC=C1C2=CC=CC=C2)C 1 4.174 2 2 -7.16384398745478 5125493 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl 1 3.158 3 4 0 -15.9914754688896 5125442 CC(=NNC(=S)NCCOC)C1=CC=C(C=C1)OC(F)F 1 2.886 3 2 -10.7093203321992 5125410 CC1CCN(CC1)CC(COC2=CC=C(C=C2)C(=O)OC)O 1 2.465 1 4 -9.58269455346098 5125386 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)OC 1 2.535 5 3 0 -14.6227212054058 5125372 CC1=CC(=O)N=C(N1)NN=CC2=CC(=C(C=C2)OC(=O)C3=CN=CC=C3)OC 1 1.672 5 4 0 -21.6767798203688 5125358 CC1=C(C=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC(=CC(=C2)OC)OC)S(=O)(=O)N3CCOCC3 1 0.639 3 9 0 -30.6492115970932 5125301 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC4=C(C=C3)OCO4)NC5=CC=C(C=C5)[N+](=O)[O-] 1 3.525 8 4 0 -6.34581104563099 5125297 C1CN(CCN1CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br)C4=CC=CC=N4 1 3.35 5 1 4.19344371271388 5125229 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)Br 1 4.343 3 3 -11.2375459487354 5125083 CC1=CC(=C(C(=C1)Br)NCC(=O)NN=CC2=C(C(=C(C=C2)OC)OC)C(=O)O)Br 1 3.923 3 5 0 -8.84429075985713 5125079 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC(=O)C=C(N3)N 1 0.34 5 5 0 -29.510848190973 5125055 CCOC(=O)C1(C2=C(C=CC(=C2)F)NC(=N1)C(F)(F)F)C(F)(F)F 1 3.419 2 2 -5.52073378946678e-002 5125013 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)COC)C3=CC=CS3 1 0.822 8 3 0 -30.3551817617196 5124906 CC(C(=O)NC(=O)N)OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.902 3 7 0 -4.96472494101099 5124724 C1=CSC(=C1)C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 2.196 2 4 -12.4668042597766 5124630 CC(=O)NC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2 1 1.313 4 3 0 -15.1014396015398 5124601 CN(C)C=NC(=S)NC1=CC(=C(C=C1)Cl)Cl 1 3.818 3 0 -0.642757111839254 5124594 CC(=O)N1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC(=CC=C3)O 1 2.724 3 3 1.42448193796861 5124514 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC4=C(C=C3)OCCO4 1 1.576 2 8 0 -26.8623331837402 5124457 CC1=CC(=C(C=C1)OC)NC(=O)CNC(C)C(=O)NC2=CC=C(C=C2)C(=O)C 1 1.75 3 4 0 -14.8651381759727 5124252 C1=CC=C(C(=C1)CN(CC2=CC=CO2)C(=S)NCC(=O)O)Cl 1 3.688 2 3 -12.438240546978 5124247 CN1C=C(C(=N1)C(F)(F)F)NC(=O)OCC2=CC=C(C=C2)OC 1 3.181 3 3 -0.352584842454633 5124234 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(=CC2)C3=CC=CC=C3)C 1 3.827 3 3 -19.9613260617347 5124176 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3 1 1.235 3 4 0 -11.6239437967283 5124165 COC1=CC=C(C=C1)N2C(=O)C3=CC4=CC=CC=C4C=C3C2=O 1 3.331 1 3 -4.2189111964319 5124163 CC1=C2C(=C(C=C1)N)C(=O)CCO2 1 1.227 1 2 0 -1.98589646032063 5124126 C1C(=NN2C(=NN=C2S1)C(F)(F)F)C3=CC=CS3 1 3.097 4 0 -4.45666302058289 5124090 CCOC1=NC(=NC(=N1)NCCO)NC2=CC=C(C=C2)Cl 1 2.215 5 2 0 1.71749344436309 5124088 COC1=NC(=NC(=N1)NCC=C)NC2=CC=C(C=C2)Cl 1 3.022 5 1 -6.44735338878953 5124049 CN1C(=O)C(N(C1=S)NC(=O)C2=CC(=CC=C2)F)CC(=O)NCCC3=CC=CC=C3 1 2.66 4 3 0 -19.1650264070475 5124039 CC1=C(C=C(C=C1)Cl)N2C(=C3C(=NN=C3N=C2SCC(=O)NCCC4=CCCCC4)C)N 1 4.696 6 1 0 -18.4412324738943 5124027 COCCCNC(=O)CC(C1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)F 1 1.781 2 5 0 -21.1088128753656 5123975 CC(=NNC(=O)CNC(=O)CC1=CC=CC=C1)C2=CC=CO2 1 1.153 3 3 0 -12.3292049061492 5123840 COC1=CC=CC(=C1)C=NNC(=O)CCCC(=O)NC2CCCCC2 1 2.74 3 3 -14.1077921412425 5123784 CC1=CC=C(O1)C=NNC2=CC=C(C=C2)C(=O)O 1 2.619 2 3 -1.63217810854081 5123758 CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])N 1 2.87 2 4 0.389641847740429 5123753 C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4 1 3.888 3 4 0 -20.3124748334833 5123735 CCC(=O)C1=CC(=C(C=C1)OCC(=O)NCCC2=CCCCC2)OC 1 3.591 1 4 -20.1908355219078 5123733 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)OCC3=C(C=CC=C3Cl)Cl 1 3.65 2 5 0 -18.053690813866 5123673 CCN(CC)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)N4CCC(CC4)C 1 4.66 4 2 -19.4835416629587 5123666 CCN(CC)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NC4=CC(=CC=C4)OC 1 4.846 4 3 0 -15.6075623819973 5123661 CCN(CC)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NCC4=CC=CC=C4 1 4.869 4 2 -20.3121988681575 5123657 C1=CC2=C(C=C1[N+](=O)[O-])C3=C(S2)C(=O)N(C(=S)N3)CCCC(=O)O 1 3.24 3 5 0 -10.8303411659863 5123646 C1=CC=NC(=C1)CCSCCC(=O)NC2=C(C=C(C=C2Br)F)F 1 3.735 2 1 -7.90089004365933 5123643 COC1=CC(=C(C=C1)OC)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br 1 4.241 1 6 0 -14.4662437895937 5123642 C1=CC(=CC=C1CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br)S(=O)(=O)N 1 2.979 2 6 0 -14.4035582290663 5123630 CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4=CC=CC=C4)C 1 5.242 2 4 -4.78283652796156 5123601 CC1=CC(=CC=C1)N2C(=NC3=NC4=CC=CC=C4N=C32)C5=CC(=CC=C5)[N+](=O)[O-] 1 5.292 5 2 0 -5.49558320746067e-002 5123570 CCOC(=O)CCSCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)C 1 3.976 2 3 -13.764823097956 5123504 CN1CCC(CC1)N(C)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=C(C=C3)Cl 1 3.171 3 3 -3.31441462990302 5123501 CC(C)NC(=O)NC(=O)CN1C(=O)C(NC1=O)CC2=CNC3=CC=CC=C32 1 0.945 5 4 0 -14.2098059676303 5123484 CC(C1=CC=CS1)N(CC2=CC=CO2)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 5.054 2 2 -0.909959082834456 5123456 CC1=CC(=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])[N+](=O)[O-] 1 1.933 3 4 0 -10.1811821043202 5123423 COC1=CC=CC=C1NC(C#N)C2=CC=CC=C2OCC3=CC=CC=C3 1 4.638 2 2 -4.41734137264537 5123397 CN(C)C(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)F 1 1.25 3 2 0 -12.7975393594624 5123394 CS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)F 1 0.839 2 3 0 -16.443635284902 5123391 C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 3.847 3 4 0 -17.6682503318876 5123360 COC1=C(C=C2C3CC4=C(C=NC5=C(C=NN45)C6=CC=C(C=C6)F)C(=O)N3CCC2=C1)OC 1 3.111 4 3 0 -9.88149257606019 5123267 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(N(C(=S)S2)C)C 1 2.4 3 3 -11.1646173778365 5123247 CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C)C 1 1.432 4 3 0 -18.5947951674467 5123202 CC1=C(C(=NN1C)C)S(=O)(=O)NCCC2=CC=C(C=C2)Cl 1 2.388 3 2 -2.09633607941382 5123175 CC(C)OCCCNC(=O)C1CCN(CC1)S(=O)(=O)N2CCCC2 1 -0.24 3 4 0 -20.589371002058 5123174 COCCCN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S 1 3.226 2 2 -3.20441473863112 5123119 CCN1C2=C(C=CC(=C2)C(=O)NC(C)C)SC3=CC=CC=C3C1=O 1 3.392 2 2 -12.2508873757817 5123116 C1CC1NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl 1 1.039 2 3 0 -7.11186631039673 5123086 CCOC1=CC=C(C=C1)NC(=S)N2CCCCCC2 1 4.754 2 1 -11.7989259357891 5123073 CCN(C1=CC(=CC=C1)[N+](=O)[O-])N=NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.928 5 4 0 1.06090056779311 5123070 C1=CC=C(C=C1)C(=O)NCCC(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.885 4 4 0 -16.1302067703129 5123040 CC(C1=CC=CC=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C(C)(C)C 1 3.144 3 3 -11.6320688908254 5123035 CC(=O)NC1=C(C(C2=C(O1)C=CC3=CC=CC=C32)C4=CC=CC=C4)C#N 1 3.791 2 2 -9.61866013676764 5122937 CCC1C(=O)N(C(=NS(=O)(=O)C2=CC=CS2)S1)C3CCCCC3 1 4.315 2 3 -11.6709673856505 5122898 CC1(CC2=C(C(N3C(=O)CCSC3=N2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C 1 3.045 3 4 0 -24.0171999239161 5122885 CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=CC=C2Br)S1)C)C 1 3.407 2 3 -10.810492953074 5122884 COC1=CC2=C(C=C1)C=C(C(=O)N2)CCN3C(=O)C4=CC=CC=C4C3=O 1 2.133 2 4 -5.85458916062384 5122868 CC(C1=CC=C(C=C1)F)NC2CCN(CC2)CC3=CC=CC=C3 1 3.645 2 0 6.2299425855218 5122830 CCCCOC1=NC=NC2=C1NC3=C2C=C(C=C3)OC 1 3.808 3 2 2.86396582471965 5122820 CC(=O)C1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3OC2=S 1 3.689 2 3 -9.44979591159912 5122660 CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)F)C 1 1.877 3 1 0 -7.94228751166032 5122650 CC1=NC(=NC=C1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC 1 3.376 2 4 -5.73685785353322 5122588 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)[N+](=O)[O-] 1 3.036 3 4 0 -5.04785262804848 5122578 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4S3 1 4.152 2 2 -5.02926750630007 5122563 CCOC(=O)NC(=O)CSC1=NC(=CN1C2=CC=CC=C2)C3=CC(=C(C=C3)C)C 1 5.338 3 3 -4.39684592495391 5122559 C1=CC=C2C(=C1)N(C(=S)O2)CCC(=O)NC3=CC(=CC=C3)O 1 3.707 2 3 -3.30074477284559 5122558 CCOC1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3OC2=S 1 4.282 2 3 -6.91430274165461 5122557 COC1=CC=CC=C1NC(=O)CCN2C3=CC=CC=C3OC2=S 1 3.933 2 3 -9.43524112537014 5122552 COC(CNC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2)OC 1 1.4 2 5 0 -15.8456495013058 5122547 COC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C4=CC=CC=C42)OC(=O)S3)C(=O)C5=CC=CO5 1 4.974 1 7 0 -5.15229953117619 5122527 C1CC1C(=O)NC2=CC=C(C=C2)C#CC3=CC=CC=C3 1 3.816 1 1 0.419320386431656 5122504 CC1=CC=C(C=C1)OCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NCCOC3=CC=C(C=C3)C 1 4.377 3 6 0 -10.1058403120942 5122423 CC1=CC(=CC(=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C)C)Br 1 3.797 3 5 0 -17.1124204678381 5122422 C1CCN(CC1)C(=O)CC(C2=CC=CC=C2)C3=C(C=CC(=C3)Br)O 1 4.442 1 2 -4.62794943835886 5122348 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C4=CC=CC=C42)OC(=O)S3)C(=O)C5=CC=CO5 1 5.477 1 6 0 -4.73933332203205 5122341 CC(=O)N(C1=CC2=C(C=C1)OC(=O)S2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 2.99 1 7 0 -7.74797693428273 5122332 CC1=C(C=C(C=C1)C(C(Cl)Cl)NC(=O)NCC2=CC=CC=C2)F 1 4.366 2 1 -4.45572514935437 5122310 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)OCC4CCCO4 1 3.868 2 5 0 -8.85196856722577 5122287 CC1=CC(=C(C=C1)S(=O)(=O)N2CN(C3=NC4=CC=CC=C4N=C32)CC5CCCO5)C 1 3.74 4 3 0 -10.6406244253799 5122260 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=CC=C4C(=O)[O-])C5=CC=CC=C5 1 6.305 1 2 -0.48234800315744 5122248 CCOC1=CC=C(C=C1)NC(=O)NCCCSC2CCCCC2 1 3.813 2 2 -11.0686499328137 5122224 C1C2CN(CC1C3=CC=CC(=O)N3C2)C(C4=CC(=CC=C4)F)C5=C(N6C(=NC=N6)S5)O 1 2.608 5 2 0 -5.3092260006271 5122176 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC(=C(C=C4)OC)OC)C(=O)NCCN5CCOCC5 1 1.398 6 5 0 -27.8086655431939 5122175 CC1(C2(CCC1(C(C2=O)Br)C(=O)N3CCN(CC3)C)C)C 1 1.864 2 2 0 -3.59512583806336 5122131 CCCCOC1=CC=C(C=C1)C(C)NC(=O)CCS(=O)(=O)CC2=CC=C(C=C2)Cl 1 4.608 1 4 -14.948681865329 5121986 C1COCCN1C(CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CS3 1 2.882 3 4 0 -14.7163714241545 5121984 CC1=NN(C(=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3 1 4.577 3 1 -3.18535160521211 5121980 CC1CC(CN(C1)CC(C)(C)NS(=O)(=O)C2=CC=C(C=C2)Cl)C 1 3.682 2 2 -8.71425629660613 5121979 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=C(OC(=C2)C)C 1 1.531 2 6 0 -22.9853536050515 5121911 CC(CC1=CC=C(C=C1)OC)CC(=O)NC2=CC=C(C=C2)OC 1 3.78 1 3 -3.37575106309797 5121865 CC1=C(C=CC(=C1)Cl)OCC(=O)NN=CC(C(C(C(C)O)O)O)O 1 0.177 2 6 0 -2.45754474189354 5121711 C=CCN1C(=O)C2=C3C(=C(C=C2)N4CCCCC4)C=CC=C3C1=O 1 3.466 2 2 -4.0390587286892 5121684 C1=CC=C(C(=C1)C(=O)NC2=CC=NC=C2)Cl 1 2.128 2 1 -4.70700382642021 5121673 C=CCN1C(=O)C(SC1=NC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)O 1 2.464 3 5 0 -14.6308766836243 5121526 CC1CC2=C(S1)C3=C(C(=CC=C3)C)N=C2C 1 3.779 1 0 -1.80959524943474 5121477 CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=O)CCC3=CC=CC=C3 1 3.788 2 2 -17.65713116896 5121482 C1CSC(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br 1 4.102 2 3 -13.1673856240757 5120712 CCCNC(=O)NCCC12CC3CC(C1)CC(C3)C2 1 3.038 2 1 -5.65837943440965 5120360 CCOC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 2.769 2 4 -13.8906517856213 5120083 COC1=CC=CC(=C1)C2=NC(=C(C(=C2)C3=CN=CC=C3)C#N)N 1 2.649 4 1 -2.16205535275265 5119609 CC(C)(C(=O)OC)ONC(=O)NC1=CC=CC=C1Br 1 2.043 2 4 -5.22056296548491 5119114 CC(C)(C(=O)OC)ONC(=O)NC1=CC=CC=C1Cl 1 1.959 2 4 0 -3.73965766115213 5119104 CC1=CC=C(C=C1)NC(=O)NOC(C)(C)C(=O)OC 1 1.781 2 4 0 -2.61308310764923 5118849 CC(C)(C(=O)OC)ONC(=O)NC1=CC=CC=C1[N+](=O)[O-] 1 1.189 3 6 0 -6.46872298766271 5118634 CCCONC(=O)NC1=CC=CC=C1[N+](=O)[O-] 1 1.559 3 4 0 -4.02706881018248 5118633 CCONC(=O)NC1=CC=CC=C1[N+](=O)[O-] 1 1.035 3 4 0 -3.92501288748593 5118632 CONC(=O)NC1=CC=CC=C1[N+](=O)[O-] 1 0.686 3 4 0 -4.88113037970963 5118082 CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)N2C 1 2.95 3 5 0 -26.3488557018587 5117860 C1=CSC(=C1)C(=O)NCC(=O)NN=CC2=CC=C(C=C2)Cl 1 2.36 3 2 -11.8966173296948 5116867 C1CCC2C(C1)CCCN2S(=O)(=O)C3=CC4=C(C=C3)NCCC4 1 3.508 2 2 -14.344737188283 5116832 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)NC(=O)C)S(=O)(=O)NCC5CCCO5 1 3.395 5 4 0 -19.8805454558053 5116729 C1=CC=C2C(=C1)C(=NS2(=O)=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.159 4 4 0 -6.71223958300244 5116697 CN1C=CC=C1C(=O)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br 1 2.843 2 4 -8.42281954664142 5116664 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4 1 1.185 3 6 0 -20.6889509513205 5116626 C1=CC=C2C(=C1)C(=NC2=NC3=CC(=CC=C3)S(=O)(=O)N)N 1 1.253 4 2 0 -3.21508287154999 5116361 CC(C)CCC(=NNC(=S)NCC1=CC=CC=C1)C 1 3.952 3 0 -11.5584802062923 5116344 C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5 1 5.06 2 1 -4.09167382653042 5116326 CC1=C(SC=C1)C=NNC(=O)C2C(CNC2=O)C3=CC=CC=C3 1 2.249 3 2 -8.90261562642112 5116038 C1CC1NC(=O)CC23CC4CC(C2)CC(C4)C3 1 2.453 1 1 -8.13835929123123 5115931 CC1=CC=C(O1)C(=NNC2=NC3=CC=CC=C3N2)C 1 2.39 4 1 4.84474276749429 5115920 COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 2.714 5 4 0 -24.8041805193447 5115919 COCCNC(=O)CSC1=NC(=CS1)C2=CC=CC=C2 1 2.244 2 2 -15.4942846954802 5115844 COC1=C(C=C(C=C1)CC(=O)NC2=C(C(=CS2)C3=CC4=CC=CC=C4C=C3)C(=O)OC)OC 1 4.685 1 5 -6.79314300820693 5115810 C1=CC=C2C(=C1)C=CC=C2CNCC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 2.806 3 3 -3.07735134243382 5115795 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4CC4 1 2.821 3 3 -15.0866133466648 5115765 CC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC3=CC(=C(C=C3)OC)OC 1 2.122 3 5 0 -12.933591565474 5115754 CC1CC2=CC=CC=C2N1CC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N(C)C 1 2.862 3 3 -12.3924458088406 5115702 CCNC(=O)NC(=O)C(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC 1 1.832 3 7 0 -25.9717693814808 5115635 CC1=C(N=C2N1C=CC=C2)C(=O)NN=C(C)C3=CC=CO3 1 1.51 4 2 0 -10.0501839150704 5115564 C1=CC=C(C=C1)N=C2C(=C(C(S2)C(=O)NC3=CC=CC=C3C#N)N)C4=NC5=CC=CC=C5S4 1 4.206 5 1 3.81737058084887 5115543 CCCCNC1=NC(=O)C(S1)CC(=O)NCCC2=CC=C(C=C2)OC 1 2.966 3 3 -17.749966250315 5115535 CC1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=NCCCCC3)[N+](=O)[O-] 1 3.179 4 4 0 -11.0414591844333 5115491 CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 3.827 2 6 0 -14.5425092119322 5115453 CCC(CC)C=NNC(=O)C1COC2=CC=CC=C2O1 1 2.726 2 3 -4.49868467125078 5115327 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(=O)N3)Cl 1 1.689 3 4 0 -9.22301744163169 5115307 C1=CC=C2C(=C1)C=C(N2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.827 2 2 6.86233219458404 5115267 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F 1 3.937 2 2 -17.018926512692 5115252 C1CN(CC2=CC=CC=C21)C(=O)CN3C(=O)C4=CC=CC=C4NC3=S 1 3.065 3 2 -14.3304571322143 5115243 CC(C)(CC1=NS(=O)(=O)C2=CC=CC=C2N1)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)OC 1 2.688 4 4 0 -8.80815668628098 5115193 C1COCCN1C2=NC3=CC=CC=C3N=C2OCC4=CC=C(C=C4)C#N 1 3.048 4 2 -1.55257576816679 5115192 C1CC(CCC1NCC(COCC2=CC=C(C=C2)Cl)O)NCC(COCC3=CC=C(C=C3)Cl)O 1 3.76 2 4 -1.49041089785689 5115166 C=CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(SC(=C3)Cl)Cl 1 3.715 3 3 -14.6744227286925 5115133 COC1=CC(=CC(=C1OC)OC)C(=O)NN=CC2CCC=CC2 1 2.544 2 4 -8.21838473409342 5115117 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCC3=NC(=O)C4=CC=CC=C4N3C 1 2.001 3 6 0 -13.0503348557762 5115067 C1C(OC2=CC=CC=C2O1)CNC3=C4C(=CSC4=NC=N3)C5=CC=CC=C5 1 4.441 3 2 0.968332264921895 5115064 CCOC(=O)C(=O)C1=C(N=C2N1C=CC=C2)C3=CC=CC=C3 1 3.035 2 3 -1.13701794174759 5115028 C1C(N(N=C1C2=CC=CC=C2)C=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.567 3 3 -3.81108845217628 5114967 CSCCC(C(=O)OCC(=O)C1=CC=CN1)NC(=O)C2=CC=CC=C2 1 2.197 2 4 -21.3630560344413 5114956 CCOC1=C(C=CC=N1)C(=O)OCC2=CC=C(C=C2)C#N 1 2.868 2 3 -10.2317004171732 5114916 CCOC(=O)C1=CC(=NC2=C1C(=NN2C3=CC=CC=N3)C)C4=CC=CC=C4 1 4.126 4 2 -4.76165556571409 5114883 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCC4=CC(=C(C=C4C3)OC)OC)C 1 4.531 1 4 -8.327082192959 5114879 CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F)C(=O)OCCOC 1 5.372 2 3 -17.0917988628006 5114858 CCN1C(=C(SC1=C2C(=O)N(C(=C3C(=O)N(C(=S)N3C4=CC=CC=C4)CC)S2)CC)C)C 1 4.873 4 2 -5.03765425465674 5114764 CC(C(=O)NN=CC1=CC=CC=C1)SC2=CC=CC=C2 1 3.561 2 1 -5.63202475219996 5114722 CCNC1=NC(=NC(=N1)NN=CC2=CC=C(C=C2)C(=O)OC)NCC 1 1.715 7 2 0 -8.58669368976672 5114700 CCCC=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3 1 4.167 3 1 -6.85116089112004 5114648 C1=CC=C2C(=C1)C3=CC=CC=C3C2=NNC4=CC(=C(C=C4)Cl)C(=O)O 1 5.076 2 2 -7.26862044253822 5114629 COC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.697 2 5 0 -0.825546276480998 5114626 COC1=C(C=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4F 1 5.058 3 3 -3.63831853673615 5114597 CC(C1CC2CCC1C2)NC(=O)CSC3=NNC(=O)NC3=O 1 1.071 4 3 0 -23.4198470305073 5114595 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSC3=NNC(=O)NC3=O)Cl 1 2.112 5 5 0 -28.260532999808 5114556 C1C2=C(N(N=C2CS1)C3=CC=CC=C3)NC(=O)CCl 1 2.351 3 1 -4.19060421405215 5114516 CC1CCCC(=NNS(=O)(=O)C2=CC=CC=C2)C1 1 2.363 2 2 -6.20811252566831 5114465 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCC2C(=O)O 1 1.448 1 6 0 -11.3451225760441 5114416 CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC 1 4.35 5 2 0 -9.46295808864435 5114397 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CSC4=NNC(=O)NC4=O 1 1.384 4 5 0 -21.4273887325652 5114200 CNC(=S)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br 1 5.461 3 0 -8.64699123577256 5114172 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N2CCN(CC2)C3=CC=CC=C3O 1 3.386 4 4 0 -6.51353103705502 5114105 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=C(S3)C 1 1.033 4 4 0 -33.5227403037317 5113907 CC1CCCCC1NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.599 2 6 0 -20.3613764126759 5113773 CCOC(=O)C(C(F)(F)F)(NC1=NOC(=C1)C)NC(=O)CC2=CC=CC=C2 1 2.651 3 4 0 -18.3644723261372 5113766 C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)SC3=NNC(=O)NC3=O 1 3.731 4 3 0 -17.1832621840434 5113740 COC1=CC=CC=C1CN(C(C2=CC=NC=C2)C(=O)NC3CCCCC3)C(=O)CCl 1 3.165 3 3 -12.3408571714925 5113716 CCCCCCCC1CC(OC1=O)C(=NNC(=O)N)C 1 2.413 3 3 -9.01617057609834 5113666 COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4C#N)N)C#N)CN5CCCC5 1 4.004 5 2 0 -18.1943474559086 5113641 CC1=CC(=NO1)C(=O)NC2=CC=C(C=C2)OC 1 1.626 2 3 0 -10.9748011143237 5113639 C1=CC=C(C=C1)COC(=O)NC2=NC=CS2 1 2.174 2 2 -4.18215721935366 5113634 CC1CC(CN(C1)CCCNC(=O)C2=CC3=C(C=C2)N(C=N3)C4CCCC4)C 1 3.918 4 1 -16.7820744084091 5113632 CC(C)OCCCNC(=O)C1=CC2=C(C=C1)N(C=N2)C3CCCC3 1 2.819 3 2 -16.8434898703712 5113582 CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NC3CCS(=O)(=O)C3 1 -5.7e-002 3 5 0 -13.0778016395927 5113516 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br 1 2.368 2 4 -13.0301310657381 5113339 CC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)Cl 1 2.246 2 2 -15.1668188874588 5113304 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)N3CCCC3 1 0.949 4 6 0 -26.5371340537793 5113275 C1CCC(CC1)NC(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O 1 3.581 1 5 -10.257143391408 5113246 COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCC4CCCO4)OC 1 3.113 3 5 0 -27.9219100042727 5113181 CC1=C(C(=NN1C2=NN=C(N=N2)NC3CCCCC3)C)Br 1 3.278 7 0 0 -1.3969894209016 5113158 CC1C(=O)N(C(=NN=CC2=CC=CO2)S1)CC3=CC=C(C=C3)OC 1 3.603 3 3 -4.07922024461917 5113115 CC1=CC=CC=C1NC(=S)NCC(C2=CN=CC=C2)N(C)C 1 3.598 4 0 -10.6220191711344 5113106 CN(C)C(CNC(=S)NC1=CC=CC=C1Cl)C2=CN=CC=C2 1 3.777 4 0 -8.05666212371599 5113104 CN(C)C(CNC(=S)NC1=CC(=CC=C1)Cl)C2=CN=CC=C2 1 3.777 4 0 -6.3128969779058 5113099 CN(C)C(CNC(=S)NC1=CC=C(C=C1)Cl)C2=CN=CC=C2 1 3.777 4 0 -7.14237331749964 5113083 COC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C)C4=CC=CO4)Cl 1 2.981 3 4 0 -1.17044237224374 5113059 CCN1CCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)C 1 0.883 3 3 0 -7.6518182248881 5113020 CC(C)OP(=O)(C(C(=O)N)NC(=O)C1=CC=CC=C1Br)OC(C)C 1 1.825 2 5 0 -9.66219322450697 5113004 CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5)C 1 6.73 3 2 8.68009932455791 5113001 CN(C)C(CNC(=S)NC1=CC=C(C=C1)F)C2=CN=CC=C2 1 3.318 4 0 -8.25249498262121 5112997 CC1=C(C=CC=C1Cl)NC(=S)NCC(C2=CN=CC=C2)N(C)C 1 4.263 4 0 -6.80138738000856 5112946 CC(C)N1C=C(C2=CC=CC=C21)C=C3C(=O)N(C(=O)N(C3=O)C)C 1 2.501 3 3 -6.21866312054371 5112898 CCCC(=NNC(=O)CCC(=O)NCC1=CC=CC=C1)C2=CC=CC=C2 1 3.129 3 2 -17.8682223085982 5112783 CC1=CC(=CC(=C1)N2C(=O)CC3(C2=O)CC(=NN3N=O)C(=O)OC)C 1 1.609 4 5 0 -7.991491894494 5112708 CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2Cl)C)C 1 3.902 2 2 -16.6428346089263 5112696 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)SCC(=O)N 1 3.514 2 1 -7.66832601564711 5112661 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=NNC(=O)OC 1 3.034 3 2 -5.20309454882803 5112636 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)C(=O)OC 1 2.351 2 7 0 -22.0800875493449 5112626 CC(C)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 1.638 4 3 0 -18.2412160855467 5112617 CC(C)CC(=O)NC(=S)NC1=C(C2=C(S1)CCC2)C(=O)N 1 3.192 3 2 -16.9805045052336 5112553 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=CO3 1 3.166 2 4 -23.1247018969591 5112429 C1=C(C=C(C(=C1[N+](=O)[O-])NNC(=O)CC#N)[N+](=O)[O-])C(F)(F)F 1 1.763 5 5 0 -6.22650910062071 5112335 C1COCCN1C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-] 1 3.062 5 6 0 -23.7430308735411 5112201 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3 1 1.073 4 3 0 -24.2211751498626 5112133 CC1=CC=CC=C1NC(=O)C2C3C4=C(C=CC(=C4)OC)OC2(NC(=S)N3)C 1 3.295 3 3 -6.61035628630522 5112072 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CNC(=O)C3=CC(=C(C=C3)OC)OC 1 2.232 3 5 0 -15.3908393019558 5112010 CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=C(C=C2)OC)N(C)C(=O)CNC(=O)C 1 2.172 3 4 0 -12.2500165908623 5111997 CC(=O)NCCCC(=O)NNC1CC(=O)N(C1=O)C2=CC(=CC=C2)Cl 1 -0.129 4 4 0 -13.9666145467901 5111976 CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NC(=O)NCC=C 1 -2.17 6 5 0 -15.1592745453357 5111967 CCOC1=CC=C(C=C1)C(CC(=O)OCC)NC(=O)C2=CC=CS2 1 3.24 1 4 -12.2510380581649 5111932 C1CC2CC1CC2C(=O)NCC3=CC=CC=C3 1 2.759 1 1 -4.08613205803941 5111922 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CCC3CCCC3 1 2.606 3 4 0 -20.6501140089073 5111869 C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCC5)C(=O)N2CC1 1 3.021 4 4 0 -25.2435668975985 5111904 CC1=NN(C(=C1)NC(=O)C2=C(C=CC=C2F)F)C3=NC4=CC=CC=C4N3 1 3.716 5 1 -5.54580313979253 5111812 CCN1C=C(C=N1)C(=O)NC(C)C2CC3CCC2C3 1 2.278 3 1 -12.5951385337036 5111734 COC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.767 3 3 0.195864245120878 5111725 C1CC2=CC3=C(C4=C2C1=CC=C4)N=C(S3)NC(=O)C5=CC=CC=C5Cl 1 5.413 2 1 0.177287244924105 5111713 CC1=CC(=C(C#N)C2=NC3=CC=CC=C3S2)C=C(N1CC4CCCO4)C 1 3.671 3 1 -8.60285839476768 5111703 CN1CCC(=NNC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)CC1 1 1.618 5 5 0 -15.5857645700849 5111649 C1CCC2C(C1)N(C3=C([N+]2=O)C4=CC=CC=C4C3=O)[O-] 1 1.226 2 3 0 0.618176392816566 5111419 C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC3=CC=CC=C3O 1 3.514 2 2 -0.612204337510041 5111350 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)F 1 2.861 2 3 -20.5573367290429 5111326 CC1=CC(=NC(=N1)NN=CC2=CC=CC=C2OCC3=CC=C(C=C3)[N+](=O)[O-])C 1 3.58 5 3 0 -4.51395318329241 5111221 C1CN(CCN1CCNC(=O)C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.225 5 5 0 -15.1493341224441 5111187 CCOC(=O)C(C)SC1=NC2=C(CCC2)C(=C1C#N)C3=CC=CS3 1 4.715 2 2 -13.4073214922757 5111144 CCOP(=O)(C(C1=CC=CC=C1)NC(=O)C2=CC=CS2)OCC 1 2.786 1 4 -12.8754237770816 5111059 CCC(=O)NCCC1=CC2=C(C(=C(C=C2)C)C)NC1=O 1 2.3 2 2 -9.72227856746507 5111058 C1CCC(CC1)NC(=S)N2CCN3C=CC=C3C2C4=CN=CC=C4 1 4.4 4 0 -15.4155115556823 5110999 CC1(CC2(CCCN(C2)C(=S)NC3=CC=CC=C3)CCO1)C 1 4.368 2 1 -9.99432826407637 5110992 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NN=CC3=C(C=C(C=C3)OC)OC 1 2.997 6 2 0 0.170938661031006 5110957 CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)Cl)OC(=CC2=O)CO)N 1 1.316 1 6 0 -8.40554386647202 5110944 CC1=C(C=C(C=C1)S(=O)(=O)NN=C2CC(=O)CC(C2)(C)C)[N+](=O)[O-] 1 1.948 3 5 0 -10.0751394619949 5110863 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CC3=CC(=C(C=C3)OC)OC 1 2.582 1 7 0 -16.6942907331713 5110827 COC1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=CC=C3OC)CC4=CC=CO4 1 3.84 3 5 0 -11.833320666975 5110788 CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-] 1 4.616 3 7 0 -14.5944978621975 5110772 CC(=C1C2CCC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)C)C 1 2.776 1 3 -6.56431376714146 5110715 CCC(C)(C(=O)NC1=CC=CC=C1C)N(C2=CC=CC=C2C)C(=O)CNC(=O)C 1 3.144 3 3 -19.4236759106916 5110712 CC1=CC2=C(N1)C=CC(=C2)CNC(=S)NC 1 2.68 3 0 -7.49032417762091 5110696 C1=CC=C(C=C1)C(=O)NC2=CC3=NC4=CC=CC=C4N=C3C=C2 1 3.844 3 1 -3.4850079265255 5110663 CC(=O)C1=C(N=C(S1)NC(=O)C2=C(C=C(C=C2)OC)OC)C3=CC=CC=C3 1 3.557 2 4 -3.89395759455013 5110657 CC(C(=O)OCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)N 1 2.129 2 4 -10.345788040338 5110655 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC=NC4=CC=CC=C43 1 3.625 4 3 0 -21.5683178135316 5110555 CC1(CC(=CC(=O)C1)NC2CCCCCCC2)C 1 3.619 1 1 -14.8736275359457 5110550 CC1=CC(=NC=C1[N+](=O)[O-])N2CCOCC2 1 0.829 3 3 0 -2.75267350671718 5110548 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)OC 1 0.778 4 7 0 -20.9547517990166 5110519 CC(=O)NC1=CC=CN2C1=NN=C2C(F)(F)F 1 0.789 4 1 0 -7.6835395491048 5110445 CCCC(=O)ON=C(C1=CC=CC=C1)C2=CC=NC=C2 1 3.097 2 2 -6.18208202308134 5110382 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)CC4=CC=CC=C4 1 1.784 3 6 0 -24.2918024068859 5110350 C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)F)SCC(=O)N 1 3.514 2 1 -7.05835165506759 5110228 CC(C)CCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2 1 2.362 3 4 0 -12.7751073309906 5110222 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl 1 3.168 4 3 0 -12.4283150730176 5110221 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC(C)(C)C 1 2.056 3 3 -24.2884506282599 5110193 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N)S(=O)(=O)NCC5CCCO5 1 3.277 5 4 0 -20.2800096003635 5110168 CCOC(=O)C1=C(N=C2N(C1C3=C(C=C(C=C3)OC)OC)C(=O)C(=CC4=CC=C(C=C4)OCC(=O)O)S2)C 1 3.885 2 8 0 -32.6249786447912 5110096 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C(C)C 1 2.293 4 3 0 -20.367983612374 5110075 CCOC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4CCS(=O)(=O)C4 1 3.384 4 5 0 -22.0364726509645 5110043 C1CC(OC1)CN2CN(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5 1 2.767 4 3 0 -15.9084294161906 5109926 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=C(C=C4)OC)C(=O)NCC5CCCO5 1 1.947 5 4 0 -25.8484234165817 5109862 CC1=C(C2=CC=CC=C2N1)C(C[N+](=O)[O-])C3=CC=CS3 1 3.796 2 2 -1.98066136335445 5109840 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NC=NC4=CC=CC=C43 1 2.682 5 2 0 -14.2487488768757 5109700 CC(C)CC(=O)NN=C(C)C1=CC(=C(C=C1)Cl)Cl 1 3.703 2 1 -6.91314804645974 5109695 CCOC(=O)C1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC)C 1 2.888 2 3 -14.0842928009064 5109678 CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CC=CC4=NON=C43 1 3.009 4 3 0 -15.1731747542555 5109610 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 1.975 3 5 0 -11.5685743004673 5109487 C1CC(=O)N=C2N(C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)Br 1 3.507 4 2 -14.5902310737122 5109475 C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C(=O)C(NC3=O)C4=CC=C(C=C4)F 1 1.392 3 5 0 -15.248820704088 5109426 C1CC(OC1)CNCC2=C(C(=CC=C2)Cl)Cl 1 3.055 1 1 8.02074251101129e-002 5109405 C1CCC(CC1)C(=O)NC2=NN=C(O2)C3=CC=C(S3)Cl 1 3.33 3 2 0.282038958587036 5109085 C1CC2=C(C1)C=C(C=C2)NC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-] 1 3.333 3 3 -8.52540693910678 5109080 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C 1 2.689 3 4 0 -43.9463060733326 5108949 CC1=CC=C(C=C1)OCC(=O)NN=C2CCOC3=C2C=CC=C3C 1 3.389 2 3 -5.77234204340833 5108935 CCCCNC(=S)NNC(=O)C1=CC=C(O1)Br 1 2.711 3 2 -13.7075423048939 5108882 COC1=CC=CC(=C1)N2C(=O)C(NC2=S)CC3=CNC4=CC=CC=C43 1 4.033 3 2 -2.82388306871872 5108870 C1=CC=NC(=C1)CCSCCC(=O)NC2=C(C=CC(=C2)F)F 1 2.987 2 1 -8.70088363316917 5108858 C1COCCN1C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S 1 2.577 3 3 -14.0757414386811 5108813 CC1=CC(=C(C=C1)C)CN2C(=NC3=C(C2=O)SC(=S)N3C4=CC=CC=C4)C 1 5.77 3 1 -1.82152654326029 5108603 CC(C)(C)C1=CC=C(C=C1)C=NOCC(=O)NCC2=CC=CC=C2 1 3.739 2 2 -4.17615076786836 5108589 CC(C)C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)OC 1 4.994 0 3 -2.86420456570354 5108553 CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=CC(=C2)C(F)(F)F)SCC3=CC=C(C=C3)Cl 1 6.491 3 1 -0.795477953550321 5108547 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)CSC2=NN=C(S2)N 1 -1.8e-002 5 3 0 -18.8109026078891 5108539 C1=CC=C(C=C1)CSC(=NC2=CC=C(C=C2)F)NC#N 1 4.133 3 0 -0.798833499201184 5108441 COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC3CCCCC3)CC4=CC(=O)NC(=O)N4 1 2.309 6 4 0 -26.9085321992865 5108423 CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)COC(=O)C3=NNC(=O)CC3 1 2.742 3 4 0 -18.6441449773519 5108372 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=O)C3(CCCCCCC3)NC2=O 1 3.494 3 7 0 -20.0674801697348 5108265 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)NC3CC3 1 0.685 3 4 0 -21.0235329533017 5108217 CC1CCCN(C1)C(=O)C2C(C2(C)C)C=C(Cl)Cl 1 3.09 1 1 -6.85321343601128 5108152 COCCOC(=O)C1=C(OC2=C(C1C3=C(C=CC=C3Cl)F)OC(=CC2=O)CO)N 1 1.041 1 7 0 -14.2790537785995 5108144 COC1=C(C2=CC=CC=C2C=C1)C=NNC3=CC=CC(=C3)C(=O)O 1 3.97 2 3 2.4618778431203 5108122 CCC1=NN=C(O1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C 1 1.021 5 4 0 -28.9680694823804 5108079 CC(COC)N1C(=O)CC2=C1N=C(C3=C(N=C(C(=C23)C#N)N4CCN(CC4)C5=CC=CC=C5F)N)N 1 1.798 8 2 0 -6.85127750618822 5108035 CC(=NNC(=S)NC1=CC=CC=C1F)CC2=CC=C(C=C2)OC 1 4.28 3 1 -7.17147612622894 5108034 CCOC1=CC=C(C=C1)NC(=S)NN=C(C)CC2=CC=C(C=C2)OC 1 4.407 3 2 -8.24553075073611 5107813 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.226 3 5 0 -24.0818709586949 5107753 CCNC(=O)CC1C(=O)N(C(=S)N1NC(=O)C2=CC=C(C=C2)Cl)C 1 1.563 4 3 0 -16.4477672602814 5107679 CC1=CC(=C2CCCC(=NNC(=O)OC)C2=C1)C 1 3.396 2 2 -8.75129250977023 5107616 CCOC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 2.862 5 5 0 -12.4112882379333 5107611 COC1=C(C=C(C=C1)C=NNC(=O)C2=CN=CC=C2)CN3CCCC4=CC=CC=C43 1 3.792 4 2 -18.1534221037824 5107526 CCOC1=CC=C(C=C1)C=NN2C(CCCC2C)C 1 3.568 2 1 -1.78047032954444 5107362 CC(=NNC(=O)COC1=CC(=CC=C1)Br)C2=CC3=C(C=C2)OCCO3 1 3.033 2 4 -8.41239075531692 5107376 CC1=C(C(=CC=C1)C)NC(=O)CC2C(=O)N(C(=NC)S2)N=CC3=CC=CS3 1 4.102 4 2 -14.1806104063488 5107302 CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CS3 1 4.127 3 1 -7.53385536554381 5107205 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC(=O)C4=CC=CC=C4O3 1 2.867 2 3 -3.87375294416705 5107198 CNC1=CC(=O)CC(C1)C2=CC=CC=C2 1 1.675 1 1 0 -9.75062850487093 5107169 CC1=CC(=C(C=C1Br)C)SCC(=O)NN=C2CCN(CC2)C(C)C 1 4.019 3 1 -10.9257257027501 5107116 C1=CC=C2C(=C1)C(=CN(C2=O)NC(=O)C3=NC=CN=C3)C(=O)NC4=CC=CC=C4F 1 0.843 5 3 0 -14.8422043319049 5107045 C1C2=C(N(N=C2CS1=O)C3=CC=C(C=C3)F)NC(=O)C4=CC=CO4 1 1.971 3 3 0 -2.20741206386941 5106972 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3 1 1.333 3 7 0 -27.1654245722517 5106961 CC(=O)NC1=CC=C(C=C1)C=NN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)OC(F)F 1 2.647 4 4 0 -4.22373737441419 5106941 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCCC4=CC=CC=C34 1 3.865 3 2 -10.4034555878371 5106935 CCOC1=CC=CC=C1NC(=O)COC(=O)C(CC(C)C)N2C(=O)C3CC=CCC3C2=O 1 2.826 2 6 0 -18.4314765381929 5106913 C1OC2=C(O1)C=C(C=C2)C(=O)NCCN3C=CC4=CC=CC=C43 1 2.954 2 3 -13.6955658292283 5106822 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC#C)CC3=CC=CC=C3 1 3.201 4 3 0 -16.7291791899131 5106732 CC(C(=O)N(CC1=CC=CO1)C2CCS(=O)(=O)C2)OC3=CC=CC=C3OC 1 1.82 1 6 0 -18.3661526650478 5106655 CC1=CC2=C(C3=C(N=C2C=C1)SC(C3)C(Cl)Cl)C 1 5.281 1 0 3.90614973287314 5106622 CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C3=COCCO3)C 1 2.931 2 3 -3.67957871819586 5106584 CCC1=CC=C(C=C1)OCC(=O)NNCC(=O)NC2=CC=C(C=C2)OC 1 1.943 3 4 0 -7.89343968152546 5106558 CC(C1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=C(N=CC=C3)Cl)N(C)C 1 3.17 6 1 0 -14.4409654100029 5106464 C1CS(=O)(=O)C2=C(C1=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C(C=C2)F 1 2.223 3 5 0 -6.93614871953079 5106427 CC1CC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC(OC(C4)C)C 1 2.832 2 4 -22.7477078598497 5106404 CNC(=O)CN(C1=CC(=C(C=C1Cl)Cl)OCCOC)S(=O)(=O)C2=CC=CC=C2 1 2.764 2 5 0 -16.2714308533687 5106376 CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C)N5N2CCC5 1 2.523 3 2 2.51009633244801 5106311 CC1CCCCC1NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.71 1 5 -16.2823040290082 5106276 C1COCCN1NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 0.998 3 4 0 -6.63570955389707 5106273 CC1=C(C=C(C=C1)NC2=C(C(=O)OC2OC(=O)C3=CC=CO3)Cl)C 1 3.917 1 5 -4.9681830369868 5106225 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3CCCO3)C 1 2.564 2 6 0 -21.9609927399688 5106210 C1=CC(=CC=C1N2C=CC(=O)C(=N2)C(=O)NN)Cl 1 0.992 4 2 0 -1.95442570655373 5106182 C1COCCN1CCCNC(=O)C2COC3=CC=CC=C3O2 1 0.699 2 4 0 -8.91562705261481 5106171 C1COC(=O)C1OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br 1 4.29 1 4 -4.81331508360305 5106131 C1CC(N(C1=O)C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N 1 1.947 2 2 0 -4.3665476659483 5106051 CC1=C(C=C(C=C1)NC(=S)N2CCCC2)C 1 4.481 2 0 -10.5131828754089 5105945 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=CN3C 1 1.378 4 3 0 -17.4161139655623 5105902 C1CCC(=O)C(C1)C(=O)C2=CN(N=N2)C3=CC(=C(C=C3)Cl)Cl 1 4.211 3 2 -5.0860349411381 5105834 CC(CC1=CC=CS1)NC(=O)C2=CC=CS2 1 2.94 1 1 -11.3870728398382 5105832 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(C)C(C2=CC=CS2)N3CCCC3 1 3.288 3 3 -20.3721176068484 5105825 CC(CC1=CC=CS1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.938 1 4 -15.4113557747301 5105805 CCCN(CCC)C=NC1=C(C2=C(S1)CCCCC2)C#N 1 4.587 3 0 -8.73144711557509 5105752 C1=C(C(=O)OC=C1C(=O)NC(CO)(CO)CO)Br 1 -1.789 1 6 0 -5.01274213826867 5105728 CC1=CC(=NC(=C1C(=O)NC(=O)NCCC(C)C)Cl)Cl 1 3.481 3 2 -13.5219954911798 5105708 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3COC4=CC=CC=C4O3 1 2.128 2 7 0 -19.8485760366216 5105689 CN1C2=CC=CC=C2SC1=NNC(=O)C3=CC=CC=C3Cl 1 3.862 3 1 -6.77139924246468 5105630 COC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=NC=CS4 1 2.661 6 3 0 -23.6081152932126 5105613 CC(=O)OC1=CC2=C(C=C1)C3(CC(O2)C4=CC=CC=C4)CC(NC(=S)N3)(C)C 1 3.834 2 3 -5.1446005815992 5105575 CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2(CC2(Cl)Cl)C 1 3.954 1 3 -6.15626186204134 5105556 CC(C)OP(=O)(C1(C=C(C(=O)C2=CC=CC=C21)Br)NS(=O)(=O)C3=CC=CC=C3)OC(C)C 1 3.829 1 6 0 -4.71407026966195 5105544 COC1=CC=C(C=C1)C(CCNCC2=CC=C(C=C2)F)C3=CC=C(C=C3)F 1 5.407 1 1 -1.29554501479168 5105531 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CSC2=NC(=CC(=N2)N)N 1 0.436 6 4 0 -19.6212692178223 5105518 CCOC(=O)C(C(F)(F)F)(NC(=O)NCC1=CC=CC=C1OC)OCC 1 2.609 2 5 0 -11.3370911116988 5105448 CC1=CC=C(C=C1)N2C3=C(C(=O)CC(C3)(C)C)C(C2=O)(C4=C(NN(C4=O)C5=CC=CC=C5)C)C(F)(F)F 1 4.047 3 3 -11.0594724219255 5105379 C=CCN1C(=NN=C1SCC(=O)NC2CCCC3=CC=CC=C23)C4=CC=NC=C4 1 3.533 5 1 -17.6651212670086 5105378 CC1CN(CC(O1)C)C2=C(N=NS2)C=C3C(=O)OC(OC3=O)(C)C 1 1.589 3 5 0 -9.83036158837119 5105222 CCOC(=O)NN=C(C)C1=CC=C(O1)C 1 1.532 2 3 0 -3.99330517766112 5105211 CC1(CCS(=O)(=O)C1)NC(=S)NC 1 0.37 2 2 0 -12.6184407635955 5105208 CC1=CC(=CC(=C1)OCC(=O)N(CC2=CC=C(C=C2)N(C)C)C3CCS(=O)(=O)C3)C 1 3.305 2 4 -16.3325527161017 5105205 CC1=NC2=CC(=C(C=C2N1C3=CC=CC=N3)Cl)Cl 1 4.106 3 0 0.318270232563746 5105134 CCCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC 1 1.828 5 6 0 -26.360341442036 5105125 CC1=C(C=CC(=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O)OC 1 3.188 3 4 0 -7.0817800093231 5104961 CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)C 1 3.417 3 5 0 -14.8512939250891 5104917 C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32 1 3.291 3 3 -16.3316589855799 5104861 CC1=NC(=C2C3=C(CCCC3)SC2=N1)NC4=CC=C(C=C4)O 1 4.298 3 1 -3.22892208540807 5104859 CC(C)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 4.423 4 1 -12.6083227546873 5104807 CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O 1 5.001 1 6 0 -12.1262977411476 5104795 CC(C)(CCl)C(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)F 1 4.934 1 1 -1.09137578221131 5104793 CCCC(=O)C1=CNC(=C1)C(=O)NCCCN2CCOCC2 1 1.175 3 3 0 -11.1519782757312 5104790 C1C(C(=O)NN=C1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl 1 3.956 2 1 -3.22340641263696 5104781 CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NN 1 1.712 2 4 0 -5.59916941288699 5104756 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CN(C)CC2=C(C=C(C=C2)OC)OC 1 2.675 5 5 0 -7.80117249151508 5104739 C1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO 1 2.104 2 6 0 -11.8194269285409 5104693 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=C(C(=CC=C2)OC)O)OCC 1 3.056 1 7 0 -15.0129827420842 5104671 C1=CC(=C(C(=C1)F)NC(=O)C2=CN=C(C=C2)N3C=NC=N3)F 1 1.956 5 1 0 -8.42924772268422 5104602 CCC1=NC2=CC(=C(C=C2N1)[N+](=O)[O-])[N+](=O)[O-] 1 2.061 4 4 0 -1.55788256319277 5104442 CC1=CC(=C(C=C1)C)SCC(=O)NC2CCS(=O)(=O)C2 1 1.911 1 3 0 -16.1907202956233 5104436 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5 1 3.916 3 3 -6.10322159053336 5104433 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)OCC4CCCO4 1 4.068 2 3 -6.74978438590308 5104420 CC1=CC=C(C=C1)C=NN2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C 1 5.272 3 1 -4.32474948700442 5104416 CC1=C(C=C[N+](=C1)[O-])OC2=CC=C(C=C2)[N+](=O)[O-] 1 1.776 2 4 0 -1.29925399811778 5104334 CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)Cl)OC1=O 1 2.705 2 4 -0.421627709664919 5104324 CCOC(=O)C1=C(N(C(=S)S1)C)NC(=O)C2=CC=CC=C2C 1 3.812 2 3 -11.3826720524457 5104315 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CC(OC(C3)C)C 1 2.377 4 4 0 -19.6950958026867 5104297 C1C(OC2=CC=CC=C2O1)C(=O)NCC(=O)NN=CC3=CC=C(C=C3)Cl 1 2.18 3 4 0 -7.1900672975276 5104285 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Cl 1 4.136 5 2 0 -15.8575176734787 5104281 CC(C(=O)NC1=CC=C(C=C1)Cl)N2C(=O)C3(CCCC3)NC2=O 1 2.302 3 3 -9.64281765265891 5104258 CC(C)N1C(=O)C2C(C1=O)C(NC2C3=C(C(=CC=C3)OC)O)(C)C(=O)O 1 -2.039 2 6 0 -2.60718694169994 5104249 CC1=CC(=CC(=C1)N2C(=O)CC(C2=O)N3C(=CC(=N3)C)C)C 1 2.576 3 2 -7.32978365442386 5104198 CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC4 1 2.325 4 4 0 -24.5976855272802 5104177 CC(=O)NC1C(=O)NC(=NC1=O)SCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)Cl 1 1.741 4 4 0 -16.4314854360012 5104085 CC1=C(C(=NC2=C(C=NN12)C(=O)NCC3=CC4=C(C=C3)OCO4)C)CC5=C(C=C(C=C5)F)Cl 1 4.072 4 3 0 -17.1369705857129 5104025 CN1C=CN=C1C(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.628 3 3 0 -5.9805571172179 5103948 CC1=CC=CC=C1CC2=C(N3C(=C(C=N3)C(=O)NCC4=CC5=C(C=C4)OCO5)N=C2C)C 1 3.688 4 3 0 -18.9502913572906 5103855 CC1=CC=C(O1)C(=NNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C 1 2.466 3 5 0 -4.08810708079348 5103776 CC1=CC(=NC=N1)SC(C(Cl)(Cl)Cl)NC=O 1 2.325 3 1 -3.27323778645894 5103771 CCN1C2=C(C=C(C=C2)N=C3N(C(=O)C(S3)CC(=O)NC4=CC=CC=C4)C)C5=CC=CC=C51 1 5.156 4 2 -2.94217498246758 5103720 CC1=CC(=C(C(=C1)C)CC2=C(N3C(=C(C=N3)C(=O)NCC4=CC=CO4)N=C2C)C)C 1 4.074 4 2 -18.8230990938396 5103647 CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NN=C(S3)NCC4=CC5=C(C=C4)OCO5 1 3.279 3 5 0 -5.26017866906842 5103646 CC(=NNC(=O)CNC1=CC=CC(=C1)C(F)(F)F)C2=CC=CS2 1 3.219 3 1 -6.93291517288218 5103638 CS(=O)(=O)N(CC(=O)NCCSC1=CC=CC=N1)C2=CC=CC3=CC=CC=C32 1 2.494 3 3 -20.2781080880115 5103621 COC1=CC=CC=C1C2=NN(C(C2)(C(F)(F)F)O)C3=NN=C(CC4=NC=NN43)N 1 1.731 8 2 0 -1.85584801397531 5103515 COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)C3=CC=C(C=C3)Cl 1 4.964 2 2 0.168098834648675 5103446 CC1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)N 1 2.7 3 2 -14.4921944424236 5103421 COC(=O)C1=CC=CC=C1N2C=CC=C2C(=O)NP(=O)(N3CCOCC3)N4CCOCC4 1 0.524 4 6 0 -9.47196102505115 5103390 CCC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC=C(S1)C 1 1.274 3 3 0 -9.8228443511079 5103381 C1=C(OC(=C1)Br)C=NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.435 4 6 0 -9.44913099295742 5103368 CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCCCOC 1 2.11 2 4 -20.3188683238356 5103278 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NC(=O)C3=CC=CC=C3 1 2.456 5 3 0 -11.6330028430886 5103147 CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC1=S 1 3.273 3 2 -14.874745183788 5103142 C1CCN(CC1)C(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3 1 2.182 2 3 -15.241535501704 5103120 CCCCC(=O)N1CC(=O)NC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)F 1 3.572 2 2 -20.7042062865521 5103080 COC1=CC=C(C=C1)C(=O)NC(C(=O)OC)(C(F)(F)F)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.231 4 8 0 -19.0155286518332 5103010 C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CN=C(C=C3)Cl 1 3.624 2 1 -4.22746976310434 5102995 CCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)OC)OC)OC 1 4.812 2 4 -17.2849410380596 5102993 CC(C)C(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)OC)OC)OC 1 3.979 1 5 -15.1152647334036 5102940 CC(=NNC(=O)COC1=CC=C(C=C1)C(C)(C)C)C2=CC=C(C=C2)N3CCOCC3 1 3.749 3 3 -4.82578548244797 5102933 CC1=C(C(=CC=C1)OC2=NC=NC(=C2[N+](=O)[O-])N)C 1 2.809 4 3 0 2.08689161194617 5102802 CSC1=CC=CC=C1NC(=O)CSC2=NNC(=N2)N 1 1.626 5 1 0 -13.0367868867041 5102795 CC1=C(C(N(C(=S)N1)C(=O)C)C2=CC(=C(C=C2)OC)OC)C(=O)OC 1 2.115 2 5 0 -24.5957978101671 5102778 C1CN(CCC1=NNC2=NC3=CC=CC=C3N2)CC4=CC=CC=C4 1 2.947 5 0 3.40971177756219 5102678 CCOC(=O)C(C)SC1=NN=C(N1C2=CC(=CC=C2)OC)CC3=CC(=O)NC(=O)N3 1 1.931 5 5 0 -20.2534840797784 5102677 CC1=CC=C(C=C1)NC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC 1 2.804 2 3 -6.43901594922957 5102546 C1COCCN1C2=NC(=NC(=N2)NN3C(SCC3=O)C4=CC=C(C=C4)Cl)N5CCOCC5 1 1.427 7 3 0 -7.0363233696145 5102545 C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)[S-].[K+] K+ 1 3.098 2 1 -14.4827513349083 5102481 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NN 1 2.426 3 1 -6.8312365144759 5102479 CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)O 1 2.849 1 4 -17.5364018475258 5102409 CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SC)CC5=CC=CC=C5 1 4.309 4 2 -13.7303835918419 5102388 C1=C(C=C(C(=C1[N+](=O)[O-])SC2=NNC(=N2)N)[N+](=O)[O-])C(F)(F)F 1 2.755 6 4 0 3.27921695420145 5102375 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C)F 1 1.458 3 7 0 -24.5559232277821 5102370 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCCCN2C=CN=C2 1 0.656 4 3 0 -18.6985133499288 5102347 COC1=C(C=C2C3CC4=C(C=NC5=C(C=NN45)C6=CC=C(C=C6)Cl)C(=O)N3CCC2=C1)OC 1 3.57 4 3 0 -8.77137091093863 5102346 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC(=O)NC3=NN=C(S3)C(F)(F)F 1 3.805 4 3 0 -14.2639502434148 5102303 CN(C1CCCCC1)C(=S)NC2=CCS(=O)(=O)C2 1 2.568 2 2 -10.8666277535951 5102206 CC1CC(CN(C1)C(=O)C2=CC=CC=C2NC3=CC=C(C=C3)SC(F)F)C 1 5.713 2 1 -8.10871188761138 5102202 C1=CC=C(C=C1)N2C(=C3C=CC=CC3=NC2=S)N 1 3.583 3 0 -3.47481692053616 5102190 CC1=C(C=C(C=C1)Cl)NC(=S)N(CCN(C)C)CC2=CC=CS2 1 5.661 3 0 -7.64802482302588 5102112 CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)SC3=NNC(=N3)C4=CC(=CC=C4)C 1 4.628 4 3 0 0.833800468502623 5102086 COC1=C(C=C2C3CC4=C(C=NN4)C(=O)N3CCC2=C1)OC 1 1.421 3 3 0 -9.53657091616664 5102083 CC1=C(C=C2C(=O)C3=C(C=CC(=C3)F)OC2=N1)C(=O)O 1 2.47 1 4 0.441277661068016 5102063 COC1=CC=CC(=C1)C(=O)C2CN(CC2C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 5.546 1 2 2.67074306757059 5102015 CC1=C(C=C(C=C1)Cl)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CS3 1 5.68 4 0 -2.63098680716871 5101959 CC1CC(CN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)C 1 4.21 3 1 -8.87266499944489 5101954 CN1C(C(CO1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.398 1 3 -3.45740787198327 5101953 CC1=CC=C(C=C1)C(=O)NN2C(=O)C3C4C=CC(C3C2=O)C45CC5 1 1.516 2 3 0 -7.36615075884078 5101936 CCOC(=O)C(=NNC1=CC=C(C=C1)Cl)C2=CSC(=N2)NC3=CC=CC=C3 1 4.782 4 2 2.82478337494848 5101925 COC1=C(C=C(C=C1)NC(=O)C2=CN=C3N(C2=O)C=CS3)OC 1 0.593 3 4 0 -17.6877045976754 5101876 CC1=C(C=C(C=C1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)Cl 1 4.332 4 1 -15.3412862039279 5101807 CCS(=O)(=O)C1=C(C(=C(C=C1)C2=CSC(=N2)C3=CC=CC=C3)Cl)Cl 1 5.361 1 2 -1.73882204372282 5101824 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.844 3 3 -21.9198875074812 5101726 C1=CC=C(C=C1)C2=CC(NC(=O)N2)C3=CC=CC=C3O 1 2.242 2 2 -3.62068519163302 5101677 CCOC(=O)C1=CC(=C(NC1=O)N2CCCC2)C(=O)OCC 1 1.214 2 5 0 -7.02322129627836 5101624 COC1=CC=C(C=C1)CC(=O)N2CCN=C2SCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.804 3 4 0 -14.6428644138532 5101581 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)COC3=CC=C(C=C3)Cl 1 2.321 3 4 0 -6.96210545840066 5101515 CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CCl)C 1 3.047 2 3 -9.9554014608688 5101370 CCOC(=O)C1CC(=NNC1=O)C2=CC=CC=C2 1 1.229 2 3 0 -10.9609899515127 5101335 CC(C)(C)C1CCC(=NNC(=O)C2COC3=CC=CC=C3O2)CC1 1 3.347 2 3 -8.49000084589243 5101256 CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=S)N2 1 3.534 2 1 -24.2088441262632 5101226 CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)C4=NC=CN4C)C 1 4.61 4 2 -10.815787284276 5101119 CC1=CC2=C(C(C(=C(O2)N)C#N)C3CCCC=C3)C(=O)O1 1 1.761 2 3 0 -9.10434203007176 5101096 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC(CNC(CO)(CO)CO)O)Br)C)CSC3=CC=CC=C3 1 2.827 2 7 0 -6.85737958288575 5101008 CN(C)N=CC1=CC=C(O1)P(C2=CC=C(O2)C=NN(C)C)C3=CC=C(O3)C=NN(C)C 1 3.468 6 3 0 -0.610552089533647 5100919 C1CCC(CC1)NC(=O)NN=C2CCCC(=O)C2 1 1.596 3 2 0 -10.2183485204579 5100905 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.045 2 6 0 -27.0429042242999 5100821 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2CCCC3=CC=CC=C23 1 2.461 2 5 0 -20.1908690921319 5100816 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(N=CC=C2)SCC(=O)NCC3=CC=CC=C3 1 2.902 3 4 0 -22.2542007792538 5100750 CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C3=COCCO3 1 2.445 2 3 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C1C2C1C(N(C2)C(=O)C3=CC=C(C=C3)Cl)C(=O)O 1 1.797 1 3 0 -3.80925246351123 5100233 CCOP(=O)(CN(CCNP(=O)(OCC)OCC)CC=C)OCC 1 0.634 2 6 0 -11.5028903139544 5100200 CSC1=NC2=C(C(=O)N1C3=CC=CC=N3)SC=C2 1 3.155 3 1 -15.0285014744335 5100198 C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)Cl)NO 1 3.346 2 1 2.88593063061196 5100187 CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC=C(C=C3)Br)C(=O)CCC2 1 1.996 4 1 0 -18.4789629416893 5100178 CCOC(=O)CS(=O)(=O)C1=CC=C(C=C1)O 1 1.169 0 5 0 -7.56293545574893 5100173 CC1=CC=C(C=C1)C=NNC2=NC(=C(S2)NC(=O)C)C3=CC=C(C=C3)C 1 3.973 4 1 -1.00757075314626 5100142 C1=CC=C(C=C1)SC2=NC3=CC=CC=C3N=C2 1 3.951 2 0 3.41438326845819 5100119 CC1=NC(=NC=C1C(=O)O)SCC2=CC(=C(C=C2)Cl)Cl 1 3.938 2 2 -5.29973610174049 5100000 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)O)N 1 1.782 6 4 0 -5.03056468199651 5099986 CCC(C1=CC=CC=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N 1 2.387 3 5 0 -18.6231402285956 5099926 C1=CC(=CC=C1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)Cl 1 2.769 2 6 0 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2 -11.1784159217693 5099319 COC1=C(C=C(C=C1)CCC(=O)NCC2CCCCC2)OC 1 3.685 1 3 -16.2611651147045 5099315 CCC1CCCCN1CCCNC(=O)C2CCCN(C2)S(=O)(=O)N3CC(CC(C3)C)C 1 2.351 4 3 0 -21.121697343248 5099309 CC(=NNC(=O)CN1C2C(NC(=O)N2)NC1=O)C 1 -2.188 6 3 0 -14.0593313773032 5099137 CCC1=CC=C(C=C1)CNC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)C 1 3.725 3 2 -9.33386884682745 5099069 C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=NC=C4 1 3.028 3 2 -20.5367858211109 5098987 C1=CC(=C(N=C1)Cl)C(=O)OCC2=C(C=C(C=C2)Cl)Cl 1 4.32 1 2 -6.89375273053447e-002 5098868 COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)N4CCOCC4 1 2.213 3 3 -4.1093368679681 5098795 COC1=CC=C(C=C1)C(CC(=O)NCC2=CC=CC=C2)SC3=NNC(=N3)C4=CC=C(C=C4)Cl 1 5.729 4 2 -5.62184107139881 5098686 CC1CCCC(N1CC(C)(C)NS(=O)(=O)C2=CC=C(C=C2)Cl)C 1 3.798 2 2 -8.98351545991183 5098595 CCCC1C(=O)N=C(S1)NN=CC2=CC=CO2 1 2.81 3 2 -6.57114417513039 5098586 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NC3=NN=C(S3)C 1 1.049 5 2 0 -23.476838661807 5098462 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CC(C)CCC(=NNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C 1 2.186 4 4 0 -12.3096659963285 5098005 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)NC(=O)C3=CN=CC=C3 1 3.102 3 3 -7.07218710523792 5097918 CCC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CS3)C4=CC=CC=C4 1 3.417 8 2 0 -28.0650802646189 5097876 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NC=CN=C3 1 1.262 4 3 0 -22.1618945286976 5097842 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 0.818 5 3 0 -16.4597958596243 5097791 C1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)F 1 4.91 3 3 -24.5374758040361 5097789 CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CC=C4 1 3.214 6 3 0 -31.1910466717415 5097779 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 4.366 5 2 0 -19.4168778305174 5097725 C1CCCC(=NNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)CC1 1 5.038 4 1 0.644529922496607 5097704 CC1=C(SC(=C1C(C2=CC=CC=N2)N3CCN(CC3)CCO)NC(=O)C4=CC=CC=C4)C 1 3.307 4 2 -8.81752865698918 5097703 CC1=C(SC(=C1C(C2=CC(=CC=C2)OC)N3CCN(CC3)C)NC(=O)C4=CC=CC=C4)C 1 4.659 3 2 -8.75497391668684 5097674 CN(C1=NS(=O)(=O)C2=CC=CC=C21)N=CC3=CC=CO3 1 1.866 3 3 0 -4.21202712320891 5097462 C1CC(OC1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 2.891 2 2 -5.82121837788914 5097436 CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC(=CC=C2)Br 1 4.543 3 0 -7.8551200068974 5097352 CC1CC2=CC=CC=C2N1C(=S)NC(=O)C3=CC=CO3 1 3.967 2 2 -11.3922620332331 5097327 CCC(=O)NCCCC1=NC2=CC=CC=C2N1CC3=CC=CC=C3F 1 3.897 3 1 -13.888946433248 5097152 CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)COC5=C(C=C(C=C5)Cl)Cl 1 5.274 3 2 5.214282483708e-002 5097112 CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC(=O)C(=NN3)C)C 1 3.879 4 2 -16.5806056045537 5096953 CN(C)C(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CS3 1 1.792 2 3 0 -11.0041214809053 5096896 COC(=O)C1(C2C(C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl)ON1)C(=O)OC 1 1.039 2 7 0 1.35100553001956 5096895 COC1=CC=CC(=C1)C(=O)NNC2=C(CCC2)C(=O)C(F)(F)F 1 2.46 2 3 -7.30972037519497 5096777 C1=CC=C(C=C1)C2=CC(=O)N(C(=C2)C3=CC=CC=C3)CCCO 1 2.632 1 2 1.58246516328376 5096714 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 1 0.78 3 3 0 -7.04180824013983 5096648 CC1CCCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC 1 1.891 3 5 0 -20.2406655799102 5096645 CC1=C(C(=O)C=CN1C2=C(C=C(C=N2)C(F)(F)F)Cl)OCC3=C(C=CC=C3Cl)Cl 1 5.666 2 2 -1.09176880225095 5096643 CCNC(=O)C1=C(C=CS1)N2C=CC=C2 1 2.216 2 1 -9.33227093134048 5096640 C1=CC=C(C(=C1)C=NNC2=NS(=O)(=O)C3=CC=CC=C32)[N+](=O)[O-] 1 2.159 4 4 0 -5.84588166154642 5096639 CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)N3C(=CN=N3)C(C)(C)C 1 4.774 6 2 0 -7.30651833765522 5096637 CC1=NC(=C(C(=C1)COC)C#N)NN=CC2=CC(=C(C=C2)Cl)Cl 1 4.131 4 1 -3.41205535148353 5096478 CCCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NC 1 2.488 1 2 -13.4041777973647 5096408 C1CCC(C1)(CNC(=O)C(=O)NCCC2=CC=CC=C2)C3=CC=CC=C3 1 3.671 2 2 -18.3700076191209 5096405 CCCOC1=CC=C(C=C1)CC2CCC(=O)NC2=O 1 2.47 1 3 -6.80684492858815 5096361 CC1=C(SC2=C1C(=O)N(C(=O)N2CC3=CC(=O)N4C=CC=CC4=N3)C5=CC(=C(C=C5)Cl)Cl)C 1 4.044 4 3 0 -13.9262873750853 5096358 CC1=C(SC2=C1C(=O)N(C(=O)N2CC3=CC(=O)N4C=CC=CC4=N3)C5=CC=C(C=C5)F)C 1 2.921 4 3 0 -14.5825605038697 5096357 CC(C)(C)C(=O)CN1C2=C(C(=O)N(C1=O)C3=C(C=C(C=C3)F)F)SC=C2 1 4.045 2 3 -9.66379752562724 5096356 C1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC4=CC(=O)N5C=CC=CC5=N4 1 2.251 4 3 0 -16.6080189857866 5096351 CC(C1=CC=CC=C1)NC(=O)C(=O)NC2=NC=CS2 1 1.262 3 2 0 -10.411336418743 5096348 CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2CO 1 2.24 1 3 -4.69987298219526 5096321 C1C(C(OC1=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O 1 1.993 1 5 0 -5.14910521727786 5096291 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(CC(=O)C3=CC=C(C=C3)Br)C(=O)O 1 5.27 0 4 -6.32439161326168 5096273 CCC(C(=O)OC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)OC)OC 1 1.406 4 6 0 -22.5808253421288 5096202 CCCCNC(=O)N1C2=CC=CC=C2N=C1SC 1 3.743 3 1 -6.10240149378627 5096183 CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC3=CC=CS3 1 3.502 2 3 -18.468589710397 5096013 COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)N=C2SCC#N 1 3.384 4 3 0 -13.7997795480381 5095982 COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OCCO 1 2.547 0 5 -3.11269809228507 5095822 C1=CC(=CC(=C1)NC(C2=CC=NC=C2)C3=C(C4=C(C=CC=N4)C=C3)O)C(F)(F)F 1 4.57 3 1 4.37119435013218 5095790 CC1(C2(CCC1(C(C2=O)Br)C(=O)NCCCN3CCOCC3)C)C 1 1.589 2 3 0 -11.6744511208788 5095694 C1CCC2C(CC1)C3(C2C(=O)OC4=CC=CC=C43)O 1 2.887 0 3 -0.342052824623448 5095670 C1=CC=C2C(=C1)C=CN2CCNC(=O)CC3=CC=CS3 1 3.174 2 1 -16.1071201727823 5095667 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=COCCO4 1 -0.826 4 7 0 -21.917446612649 5095553 CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.683 4 5 0 -7.93057838768993 5095516 COC1=CC(=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCCC4)NC2=S)OC 1 4.752 3 4 0 -13.9064669513175 5095508 CCCN1CCC2=C(C1)SC(=C2C(=O)NC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4 1 3.401 4 4 0 -20.8400460115721 5095459 COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCCN5CCOCC5)OC 1 1.014 6 5 0 -28.6926210843236 5095348 CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)COC5=CC=CC=C5 1 3.946 3 2 -1.84443727307838 5095340 CC(C)C(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)C3=CC=CO3 1 2.534 2 8 0 -16.921759083495 5095324 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4CC=CCC4C3=O 1 -0.125 3 6 0 -23.3385430702469 5095143 CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)C)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.614 1 5 -8.91952638649071 5095140 CCCSC1=NC2=C(C(=O)N1CC)SC(C2)C 1 2.551 2 1 -12.0046879684312 5095087 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NNC(=O)N3C4CC4 1 0.531 5 6 0 -35.4980053989864 5094950 CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=CC=C3C)N 1 3.952 3 4 0 -9.09326400362939 5094943 COCN1C=CN=C1C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)O 1 2.595 2 4 -0.189376733703691 5094887 CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC(C)C 1 6.756 3 2 -19.5265513983512 5094880 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 -0.327 3 6 0 -23.8240693040107 5094851 C1=CC=C2C(=C1)C(=NN2)C3=NN=C(O3)SCC(=O)NC4=CC=CC(=C4)C#N 1 2.8 6 2 0 -16.4291332597347 5094740 CC1CCN(CC1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)NCCCN4CC(CC(C4)C)C)C 1 1.991 5 4 0 -34.7898215331924 5094550 C1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)NNC(=O)C4=CC=CC=C4[N+](=O)[O-] 1 3.748 4 4 0 -13.7555525364467 5094501 CC1=CSC(=N1)NC(=O)C2CC(=O)N(C2)CC3=CC=CO3 1 0.354 3 3 0 -10.5738801019645 5094473 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(ON=C2C)C 1 -0.311 2 6 0 -24.2193444504061 5094462 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3CCCC4=CC=CC=C34 1 4.071 3 2 -8.83382312428746 5094436 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC(=C(N=C3)Cl)Cl 1 2.118 2 5 0 -11.6516112564428 5094345 CC1=C(C(C(=C(N1)SC)C#N)C2=CC=CS2)C(=O)OCC=C 1 2.964 2 2 -32.092144201236 5094315 CC1=CC=C(C=C1)NN2C(=O)C=C(C2=O)C3=CC=C(C=C3)Cl 1 4.039 2 2 4.26032067559408 5094312 COC1=C(C=C2C(=C1)C3=NC(=O)CN3C(=N2)SCC=C)OC 1 2.551 3 3 -13.6774848396701 5094281 CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2OCCO 1 3.167 3 4 0 -2.61288155002545 5094271 COC(=O)CC1=C(N(C=CC1=O)CC2=CC=CC3=CC=CC=C32)O 1 2.666 1 4 -4.54798943661068 5094270 CC(C)CC(=O)C1=CNC(=C1)C(=O)NCC2=CC=CC=C2OC 1 3.105 2 3 -9.28005743402992 5094232 CC1(C(=O)NC2=C(O1)C=CC=N2)C(=O)NCCCN3CCOCC3 1 -0.383 4 4 0 -12.7148363571578 5094231 CN1C=CC=C1C(=O)C(=O)NC2=CC(=CC(=C2)Cl)Cl 1 3.42 2 2 -3.5363872305998 5094185 C1CC(C2=CC=CC=C2C1)NC(=O)C3=NNC(=O)C4=CC=CC=C43 1 2.787 3 2 -13.1965386257318 5094095 CC1=CSC(=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.092 3 4 0 -29.5256516776557 5094072 CC1=CC=C(C=C1)N(C(=O)C2CCC(=O)N2)C3(CCCCC3)C(=O)NC4CCCC4 1 3.482 3 3 -22.1982022339966 5094048 C1=CC(=CC(=C1)F)NC(=O)CSC2=NC3=NC=C(C=C3N2)Cl 1 2.98 4 1 -5.48019182412934 5094038 CC1=CC=C(C=C1)C(=O)C2CN(CC2C3=CC(=C(C=C3)OC)Cl)C 1 4.36 1 2 -3.69019294106215e-003 5094036 CN1CCN(CC1)C2=C(C3=CC=CC=C3N2C)C=NO 1 2.4 4 1 6.16032889127347 5093999 CNC(=O)C(=C1N(C(=O)C(=CC(=O)OC)S1)C2=CC=CC=C2)C#N 1 1.346 3 4 0 -9.37457514201196 5093963 COC(=O)C(CC1=CN=C(S1)Cl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l)Cl 1 4.032 1 3 -5.03061790458909 5093816 CN(C)C=NC1=NC=C(S1)C(=O)C2=CC3=CC=CC=C3C=C2 1 2.939 3 1 3.25582920556313 5093809 CN1C(=O)C(=CN(C1=O)CCNC2=C(C=C(C=N2)C(F)(F)F)Cl)C#N 1 1.691 5 2 0 -4.96222704006887 5093729 CC(C)C(CC(=O)NC1=CC=C(C=C1)OC)C2=CC=CO2 1 3.233 1 3 -8.12395990926288 5093708 CN1C=C(C2=CC=CC=C21)CCC(=O)NC3CC3 1 2.518 2 1 -10.7700199179882 5093667 C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 2.265 4 5 0 -33.0057765751107 5093660 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=NN=C(S3)N 1 2.299 4 1 -15.9484269357595 5093640 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NN=CC3=CC=C(C=C3)Cl 1 3.959 5 0 3.46200807410199 5093634 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NN=CC3=CC=C(C=C3)OC 1 3.013 6 1 0 -0.601677800375832 5093633 CC1=C(C(=NC(=C1[N+](=O)[O-])C)NCC2=CC=C(C=C2)OC)C#N 1 2.664 4 3 0 -3.04453551003035 5093626 COC(C1=CC=CC=C1)C(=O)NNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.26 3 6 0 -25.5013243722253 5093587 CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2CCC3=CC(=C(C=C32)[N+](=O)[O-])Br 1 2.202 2 9 0 -11.4493040613619 5093536 COC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C3=CC(=CC=C3)NS(=O)(=O)C)C4=CC=CS4 1 3.157 3 4 0 -10.5861095782229 5093537 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 1.287 4 5 0 -21.4713849291447 5093561 CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC=C3OCCOCCNCC4=CC=C(C=C4)F 1 5.211 2 4 -3.94261821356413 5093553 COC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC4=C(C=C3N=C2SCC#N)OCO4 1 2.931 4 5 0 -26.0994012539358 5093515 C1CCC2=C(C1)C(=NO2)C(=O)NC3=CN(N=C3)CC4=CC=C(C=C4)F 1 3.319 4 2 -14.8288728513376 5093497 CCC(C)NC(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCOCC3 1 4.203 4 1 -12.2895277369258 5093464 C1CCC(C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.175 3 2 -9.84707628612242 5093421 COC1=C(C=C(C=C1)Cl)N2C3=C(C(=O)N(C(=N3)SCC(=O)O)C4=CC=C(C=C4)F)SC2=S 1 6.327 3 4 0 -14.7388311034956 5093386 C1CN(CCN1C2=CC=CC=C2)C(=O)CSCC(=O)NC3=NC(=CS3)C4=CC=C(S4)Cl 1 3.683 4 2 -1.42418827716206 5093328 CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=CC=C2O 1 1.419 2 5 0 1.12236405077462 5093321 CCOC(=O)NN=C1CN(C1)S(=O)(=O)C2=CC=C(C=C2)C 1 1.122 3 4 0 -16.8218401638903 5093320 C1COCCN1CCCN(CC2=CC=CS2)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.693 3 2 -3.19703183348588 5093257 CC1=NC(=CC=C1)NC(=O)NC(=O)C2=CC=CC=C2 1 2.065 3 2 -3.42314453470739 5093189 CCC1N=NC(=CN1O)C2=CC=C(C=C2)F 1 2.578 3 1 -0.825240279647425 5093186 COC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4CC4 1 1.544 3 4 0 -5.69276947556135 5093184 CCCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.08 4 4 0 -22.7645844337986 5093114 C1CCC(CC1)N2C(CCC2=O)C(=O)NC3CCCC3 1 2.29 2 2 -11.384296000761 5093094 CCOC(=O)C(=NNC1=C(C=CC(=C1)Cl)Cl)N2CC(OC(C2)C)C 1 3.56 3 3 -5.28940570409497 5091761 C1CC2CC1CC2C=NNC(=O)C3=CNC4=CC=CC=C43 1 3.007 3 1 0.459665514432929 5091735 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CO2)F 1 1.472 2 3 0 -7.68010935928454 5091685 CC1CN(CCN1C(=S)NC2=CC=CC=C2F)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F 1 5.266 4 4 0 -11.306353508221 5091636 CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NN=CC3=CC=CO3 1 2.267 4 3 0 -1.8380640810265 5091626 CC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 -0.227 4 5 0 -15.8694170342448 5091582 C1CCC(CC1)NC(=O)CCN2C(=O)C3C4CC(C3C2=O)C=C4 1 1.276 2 3 0 -11.4890473588092 5091579 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3OP(=O)(O)O 1 4.481 0 5 -5.03527217696029 5091521 CC1(CC2=C3C4=C(C(=NC=N4)NN)SC3=NC(=C2CS1)N5CCOCC5)C 1 2.362 6 1 0 -6.46623763377539 5091486 COC1=CC2=C(C=C1)C3=C(C(=O)N2)SC4=CC=CC=C43 1 3.439 1 2 -0.5092370697289 5091462 C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4 1 2.822 4 3 0 -13.2057895493805 5091431 C1=CC(=CC=C1C(=O)NN=CC2=COC=C2)Cl 1 2.451 2 2 -6.01834134562379 5091342 CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)NCCCN4CCOCC4)SC5=CC=CC=C5C2=O 1 4.275 3 3 -8.16571510956658 5091304 CCC1=NN=C(S1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br 1 3.075 3 1 -14.0438618019824 5091166 CCN1C2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)SC4=CC=CC=C4C1=O 1 2.492 3 3 -9.69864599418792 5091139 CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)NCCN4CCOCC4)SC5=CC=CC=C5C2=O 1 4.213 3 3 -7.9729276710511 5091072 C1=COC(=C1)C(=O)NCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl 1 3.462 4 2 -9.69379839190038 5091069 CC(C)CC(=O)NC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)F 1 2.724 4 2 -20.8909735324229 5090940 CC1=C(C=CC(=C1)OCC(=O)ON=C(C2=CC=CC=C2)N)Br 1 3.456 2 3 2.29351271937622 5090858 CCCCCCCCN1C=C(C(=O)NC1=O)C(=O)C 1 2.038 2 3 -8.49060705577266 5090806 CCOC(=O)C1(CC(OC1=O)C)CCC(=NNC(=O)N)C 1 0.206 3 5 0 -9.12438025190474 5090790 C1CCC(CC1)NC(=O)CSC2=NN=C(O2)C3COC4=CC=CC=C4O3 1 2.903 3 4 0 -14.9678680621609 5090783 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=CC=CC=C3OC 1 2.553 3 3 -6.28140821018397 5090685 C1CCC(C1)N2CC(CC2=O)C(=O)NCCC3=CC=CC=C3 1 2.039 2 2 -16.5360311873377 5090540 CC1=CC=C(C=C1)C=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 4.903 2 2 -6.10787441106245 5090538 CC(=NOCC(=O)NC1=CC=CC=C1SC)C2=CC3=CC=CC=C3O2 1 3.449 2 3 -5.97976012829748 5090520 C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CNC(=O)NC3=O 1 -0.804 4 6 0 -16.9862633000668 5090473 C1=CC=C(C=C1)C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)F 1 2.224 3 2 -8.20185572112284 5090463 C1CCC(C1)N2CC(CC2=O)C(=O)NCCC3=CC=C(C=C3)Cl 1 2.704 2 2 -13.8992175919713 5090461 CC(C(=O)NN=CC1=CN=CC=C1)OC2=CC=C(C=C2)C3=CC=CC=C3 1 3.37 3 2 -2.60435650444532 5090455 CC1=CC=C(C=C1)CCNC(=O)C2CC(=O)N(C2)C3CCCCC3 1 2.982 2 2 -16.0756847967262 5090454 C1CCC(CC1)N2CC(CC2=O)C(=O)NCCC3=CC=C(C=C3)Cl 1 3.16 2 2 -14.2536861061394 5090356 CC1=NC=C(N1CCOC(=O)C2=CC(=CC(=C2N)Cl)Cl)[N+](=O)[O-] 1 2.289 4 4 0 -10.7055752855477 5090305 C=CCNC(=O)C1=NC2=CC=CC=C2S1 1 2.145 2 1 -8.99990723441407 5088525 CC1=CC(=C(C=C1)O)NC2=C3C=CC=CC3=NC4=CC=CC=C42 1 5.147 2 1 12.4111984312923 5088465 CCN(CC)C(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CN=CC=C3 1 3.49 4 1 -18.1758202899585 5087699 CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C 1 1.779 2 6 0 -18.6285342861287 5087610 CC1CCCCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.291 2 3 -19.2263364941501 5087571 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3 1 2.028 2 4 -18.1375499451849 5087380 COC1=NSN=C1N2CCOCC2 1 0.484 3 2 0 -2.05055115323575 5087365 CCN(CCC#N)C1=C(C=C(C=C1)N2C(=O)CCCC2=O)[N+](=O)[O-] 1 1.83 4 4 0 -14.949823977257 5087320 CC1CC2=C(C=CC(=C2)C(=O)C)N(C1=O)C 1 1.683 1 2 0 -4.41860730133144 5087315 C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CSCCO 1 3.301 1 2 -2.68349366512095 5087310 CC1=CC(=O)N=C2N1N(C3=CC(=C(C=C32)OC)OC)CC(=O)NC4CCCCCC4 1 2.953 4 4 0 -13.8431585293677 5087272 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)C3=CC(=C(C=C3)O)O 1 2.87 2 5 0 -10.8368280841768 5087115 CCN1C(=C(C(=O)N=C1SC)C(C2=CC(=C(C=C2)OC)O)C3=C(N(C(=NC3=O)SC)CC)O)O 1 3.987 4 6 0 -4.96535266424617 5087076 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)N(C)C)C(=S)NC 1 4.612 4 0 -10.847297617653 5087051 C1=CC=C(C(=C1)C2=C(C(=O)NN2)C(C[N+](=O)[O-])C3=C(C=C(C=C3)Cl)Cl)O 1 3.229 3 4 0 0.670801094563319 5087025 COC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-] 1 0.598 4 5 0 -10.525157796363 5086943 COC1=CC(=C(C=C1)OC)NC(=O)NCC2=CN=CC=C2 1 1.346 3 3 0 -10.8044860714895 5086848 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 1 4.317 3 4 0 -15.617614138747 5086829 CC1=CC(=C(C(=C1)C)NC(=S)N(CCCN2CCOCC2)CC3=CN=CC=C3)C 1 4.828 4 1 -10.1012799481675 5086682 CC1=CC(=CC=C1)CSC2=NC(=O)C=C(N2)C(=O)OC 1 2.609 2 3 -12.6608892791225 5086679 C1CCCN(CC1)C(=O)CN2C3=C(CCCC3)C(=CC2=O)C4=CC=CC=C4 1 3.568 2 2 -10.5383112388821 5086667 C1=CC(=C(C2=C1N=C(S2)N)N)[N+](=O)[O-] 1 0.856 4 2 0 0.913656586380073 5086655 CCOC1=C(C=C(C=C1)Br)C(=O)NN=CC2=CC=CC=N2 1 3.042 3 2 -3.09601887692686 5086638 C1CCCC(=O)N(CCC1)CC2=CC=CC=C2 1 3.243 1 1 -9.61465257931454 5086582 CC1=CC=C(O1)C=NNC(=O)CC2=CC=CN2C 1 1.849 3 2 0 -7.9282665817834 5086459 CCCCN1C2=CC=CC=C2N=C1CCNC(=O)CCC 1 3.572 3 1 -18.0334505580765 5086421 CC1=C(SC=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.308 3 1 -3.46796992207868 5086380 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC(C)C(C2=CC=CS2)N3CCCC3 1 3.953 3 3 -17.9753703212074 5086371 C1CC2=CC=CC3=C2N(C1)C(=O)C(C3=O)(C4=CC=CC=C4)F 1 3.276 1 2 -2.21863718084699 5086281 CC1=CC(=O)N=C(N1)NN=CC2=CC3=C(C=C2)OCCO3 1 1.193 4 3 0 -14.0383836239392 5086264 CC1=CC=CC(=C1)C(=O)N(C2=CC=CC=N2)C(C)C3=CC=CO3 1 3.944 2 2 -6.24715681243902 5086217 CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)F 1 5.49 2 2 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CC(C1=NC(=NO1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=N3)OC4=C(C=C(C=C4)Cl)Cl 1 4.856 4 3 0 -2.438682695194 5085136 CC1=C(SC=C1)C=NNC2=NC=NC3=C2NC=N3 1 1.722 6 0 0 1.15156777591008 5085134 CC1=CC=CC=C1C=NNC2=NC=NC3=C2NC=N3 1 1.769 6 0 0 1.91248916295722 5085133 CCC1=CC=C(C=C1)C=NNC2=NC=NC3=C2NC=N3 1 2.225 6 0 0.488085366145505 5085131 C1=CC(=CC(=C1)F)C=NNC2=NC=NC3=C2NC=N3 1 1.488 6 0 0 3.02371032051361 5085130 C1=CC=C(C(=C1)C=NNC2=NC=NC3=C2NC=N3)F 1 1.488 6 0 0 2.00255650002816 5085127 C1=CC(=C(C=C1C=NNC2=NC=NC3=C2NC=N3)F)F 1 1.694 6 0 0 1.44191701882991 5085096 CC1=CC=C(C=C1)CNC(=O)C2CCC(=O)N2CC3=CC=C(C=C3)C 1 3.169 2 2 -13.0028125276417 5085095 CC1=CC=C(C=C1)CN2C(CCC2=O)C(=O)NCCC3=CC=CC=C3 1 3.004 2 2 -12.9670343412922 5085061 C1CCC2=C(C1)C(=NO2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.648 2 4 -14.2659044551664 5085051 CCC(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)F 1 2.963 3 1 -13.4580098150141 5085030 CC1=C(C=CC(=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4)Cl 1 3.765 4 3 0 -2.4962690947962 5084956 C1=CC(=CC=C1C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)F)F 1 3.391 3 4 0 -8.70793060599389 5084952 C1C2=C(N(N=C2CS1(=O)=O)C3=CC=C(C=C3)Cl)NC(=O)C4=CC=CC=C4 1 3.131 3 3 -4.7062398697106 5084933 CC1CC(CN(C1)C(=O)C2CC(=O)N(C2)CC3=CC=C(C=C3)OC)C 1 2.061 2 3 -16.1491403097309 5084898 CCC(=NNC(=O)C1=CC=NC=C1)C23CC4CC(C2)CC(C4)C3 1 3.061 3 1 -5.13502320205132 5084878 C1CC(OC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl 1 2.573 2 2 -7.42008630774322 5084820 COC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCC4CCCO4 1 3.13 3 4 0 -25.4098570581569 5084819 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCN2C=CC3=CC=CC=C32)C 1 4.347 2 2 -8.02838809598935 5084783 CC1=CC2=C(N1C)C=CC(=C2)CNS(=O)(=O)C3=CC=CC=C3 1 2.969 2 2 -3.66904041614944 5084767 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)N4CCOCC4 1 3.141 3 5 0 -12.1082842690498 5084765 CCCN1CCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-])CC1 1 2.525 5 4 0 -15.8285646748637 5084603 CC(C)CCNC(=O)C1(C2=CC=CC=C2NC(=O)N1C3=CC=C(C=C3)Cl)O 1 3.639 3 3 -9.85164338580488 5084517 CCCCNC(=S)NNC(=O)C1=NOC(=C1)C 1 1.776 4 2 0 -17.8995492844713 5084468 COC1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3CCCCC3 1 2.901 3 3 3.03162298562568 5084446 CN1C=C(C2=CC=CC=C21)SCC(=O)NCCC3=CC=CC=C3 1 3.835 2 1 -11.9386438335316 5084422 C1COCCN1C2=CC=C(C=C2)C=NNC3=CC(=CC=C3)[N+](=O)[O-] 1 3.193 4 3 0 -1.48826256141858 5084176 CC1=NC=CN1CC(COC2=CC=C(C=C2)[N+](=O)[O-])O 1 1.199 3 4 0 -1.21937925739295 5084061 COC1=CC=CC=C1C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCCO4 1 3.328 2 4 -3.85722215542432 5084053 CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)C 1 4.425 2 1 0.72442927611479 5084007 COC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.101 3 4 0 -14.1251489001044 5083923 COC(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl)OC 1 3.535 3 4 0 -12.2382544551806 5083905 C1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43 1 2.194 3 3 -12.58037091638 5083854 C1=COC(=C1)C2=NN=C(O2)NC(=O)C3=CC=C(S3)[N+](=O)[O-] 1 1.822 4 5 0 0.649324665708252 5083852 C1=COC(=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)C#N 1 1.729 4 3 0 -5.87909906563685 5083850 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=CO3 1 0.967 4 5 0 -8.8243940482893 5083849 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CO4 1 1.428 4 5 0 -17.2378077206764 5083848 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CO4 1 0.655 4 6 0 -19.5504589562942 5083548 COC1=CC(=CC(=C1)C(=O)NCCCCCCNC(=O)C2=CC(=CC(=C2)OC)OC)OC 1 3.384 2 6 0 -11.7219751779589 5083543 CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)C(C)C(=O)NCCN4CCOCC4 1 0.982 5 3 0 -15.4940454496209 5083541 CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)C(C)C(=O)NC4=CC=C(C=C4)NC(=O)C 1 1.852 5 3 0 -15.1994350998536 5083540 CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)C(C)C(=O)NC4=C(C=C(C=C4)F)C 1 3.423 4 2 -13.1254710740227 5083532 CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)C(C)C(=O)NC4=C(C=CC(=C4)F)F 1 3.143 4 2 -10.7139660976263 5083500 CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C)NC1=S 1 4.256 4 2 -13.0021982773105 5083492 CC[N+](CC)(CCCCS(=O)(=O)[O-])CCNP1(=O)C=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3 1 -1.352 2 5 0 -5.18651983334134 5083482 C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NN=CC4=CC=C(C=C4)Cl 1 4.33 4 1 -5.55155466655857 5083420 CC(C1=CN=CC=C1)N(C2CCCCC2)C(=O)NC3=CC=CC=C3 1 3.82 3 1 -6.19520611610733 5083265 CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4Cl)N 1 3.442 6 2 0 -17.8593429984464 5083253 CC(=O)N1CC(=O)NC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)Br 1 2.535 2 2 -14.7231691123784 5083250 CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)SC3=NNC(=N3)C4=CC=CC=C4 1 4.142 4 3 0 -2.76351506463298 5083236 CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.701 3 4 0 -16.0861124816915 5083202 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2=CC=CC3=CC=CC=C32 1 3.542 2 4 -6.13046209640076 5083169 C1=CC(=C(C(=C1)Cl)C=NNC(=O)CC2=CC(=O)NN2)F 1 0.704 4 2 0 -10.2674971491563 5083160 CC1CC(CN(C1)CCCNS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4)C 1 3.405 3 3 -20.0152226723613 5083150 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CN4C3=NC5=CC=CC=C5C4=O 1 2.324 4 3 0 -10.6247292827246 5083147 CN(CCCNC(=O)C1=CC=CN2C1=NC3=CC=CC=C3C2=O)CC4=CC=CC=C4 1 2.29 4 2 -14.2637782844488 5083134 COC1=CC(=NC=C1)CSC(=NC2=CC=CC=C2C(F)(F)F)N 1 3.78 3 1 0.452004605318269 5082992 COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC3CO3 1 2.616 0 5 -7.8893879175575 5082987 CC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCOCC3)S2)CCOC 1 1.938 3 4 0 -13.8628951080594 5082977 COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)N3C(CC(=N3)C(F)F)(C(F)F)O 1 2.905 2 5 0 -8.55611348045728 5082883 C1CN(CCN1CCCNC(=O)C2=CC=C(C=C2)Br)CCCNC(=O)C3=CC=C(C=C3)Br 1 3.612 4 2 -6.39824975291051 5082879 CCCCCC(=O)NNC1=NCC(S1)CC2=CC(=CC=C2)Cl 1 4.456 3 1 -8.26823082905248 5082873 CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C=CC(=C4)OC)OC2(NC(=S)N3)C)C 1 3.781 3 3 -6.94784251151364 5082834 C1=CC(=CC=C1NC(=O)C2=C(C=C(C=C2)C#N)F)[N+](=O)[O-] 1 2.593 3 3 -7.37786265693461 5082809 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=COCCO4 1 0.781 4 6 0 -18.4185013887085 5082767 C1=CC=C(C=C1)CNC2=NC(=O)C(S2)CC(=O)NC3=CC=CC=C3 1 2.909 3 2 -11.1138965650721 5082637 CC(=NNC(=O)CCC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3 1 2.923 2 3 -11.0189988402222 5082502 CC(C(=O)N1CCCCC1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.234 2 2 -16.1017037571035 5082436 COCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC4=CC=CC=C4OC3=O 1 2.417 3 6 0 -18.6004699112998 5082311 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)NC(=O)C3=CN=C(C=C3)Cl 1 3.489 3 3 -7.56932386455229 5082268 CN1CCSC2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)Cl 1 3.801 2 1 -5.86704754742748 5082266 CN1CCSC2=C1C=C(C=C2)C(=O)NC3=CC(=CC=C3)F 1 3.342 2 1 -6.03787847660549 5082265 CN1CCSC2=C1C=C(C=C2)C(=O)NC3=C(C=CC(=C3)F)F 1 3.548 2 1 -7.23181900615563 5082182 CC1=C(C=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4)Cl 1 4.487 2 3 -1.68952065442969 5082181 CCN(CC)C(=O)C1=NN(C2=C1C3CCC2(C3(C)C)C)C4=CC=CC=C4 1 4.741 3 1 -9.91750429603464 5082180 C1=CSC(=C1)C(=O)NN=C2C(=CC3=C(O2)C=CC(=C3)Cl)C(=O)N 1 2.574 3 3 -3.84239987820118 5082063 C1=CC=C(C(=C1)CNC2=CC=C(C=C2)OC(F)(F)F)O 1 5.1 1 2 6.47629462406636 5082019 CCOC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)OC)OC 1 3.846 3 5 0 -7.84538363346818 5082003 C1=COC(=C1)C2=CC(=NO2)C(=O)NC3=CN(N=C3)CC4=CC=C(C=C4)F 1 3.141 4 3 0 -7.08219822616461 5081845 C1=CC=C(C=C1)OCC(=O)NCC(=O)NN=CC2=CC=C(C=C2)Cl 1 2.242 3 3 -10.7262016736079 5081819 CCN(CC)CCCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)CCOC)C3=CC=C(C=C3)F 1 2.802 3 3 -10.4684878286935 5081817 CC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=S)NCC(=O)NCC3=CN=CC=C3 1 3.521 4 2 -20.7870068992562 5081810 CCCCNC(=O)CNC(=S)N(CC1=CC=C(C=C1)C)CC2=CC=CO2 1 4.417 3 2 -20.5322359076533 5081799 C1CN(CCN1CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=C(N5C(=NC=N5)S4)O 1 4.065 5 1 -4.20636970455786 5081656 CC1=CC=C(C=C1)C(=O)NC2(C(=NC(=N2)C3=CC=CC=C3)N)C(Cl)Cl 1 3.666 4 1 -1.11734074240204 5081575 CCOC(=O)NN=CC1=CC=C(C=C1)OC(=O)C2=CC=CO2 1 2.838 2 5 0 -9.7005747033742 5081574 CCOC(=O)NN=CC1=CC=C(O1)C2=CC(=CC=C2)C(F)(F)F 1 4.158 2 3 2.27553789203421 5081572 CC1=NN2C(=C(SC2=N1)C(C3=CC=CS3)N4CCN(CC4)C5=CC(=CC=C5)Cl)O 1 4.727 5 1 5.29747350865252 5081571 CC1=NN2C(=C(SC2=N1)C(C3=CC=CS3)N4CCN(CC4)CC5=CC=CC=C5)O 1 3.974 5 1 0.457868630873242 5081559 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(O3)C4COC5=CC=CC=C5O4 1 2.88 4 4 0 -8.95960237446383 5081547 CC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C3=NN=C(CC4=NC=NN43)N 1 2.234 8 1 0 0.210135044690461 5081527 CC(C)SC1=NN=C(N1C2=CC(=CC=C2)OC)CC3=CC(=O)NC(=O)N3 1 2.118 5 3 0 -14.53967981146 5081526 CCCSC1=NN=C(N1C2=CC(=CC=C2)OC)CC3=CC(=O)NC(=O)N3 1 2.264 5 3 0 -18.1281953220868 5081224 CC1CCN(CC1)CC(=O)C2=CC=CS2 1 2.698 1 1 -7.87509770890606 5081144 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N(CC4=CC=CC=C4)C(C)C 1 3.439 2 5 0 -11.8514707768947 5081119 C1=CC(=CC=C1C=C(C#N)C#N)NC(=O)C2=CC=C(C=C2)Br 1 3.548 3 1 -4.91040004502087 5081115 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)C(=O)O)C 1 5.35 2 3 -8.71692917372519 5081083 CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)SN=N3 1 4.835 2 2 -6.87581732981174 5081057 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=NC4=CC=CC=C4C(=C3C2)C(=O)O 1 3.963 2 4 -9.144424520604 5080999 COC1=C(C=C(C=C1)NC(=O)NC2=CC=CC3=CC=CC=C32)OC 1 3.398 2 3 -9.60968861617341 5080924 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4OC 1 3.921 2 3 -19.2717486042029 5080922 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 2.232 2 9 0 -28.2151496367312 5080802 C1=CC(=CC(=C1)F)C(=O)NC2=NN=C(O2)C3=CC=CS3 1 2.614 3 2 -6.93018230204279 5080792 CC1=CC(=NO1)NC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC 1 3.727 4 6 0 -22.1812451724862 5080789 COC1=C(C=C(C=C1)C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)NC3=C(N=CC=C3)Cl)C(F)(F)F)OC 1 4.312 4 5 0 -13.5745018103752 5080784 COC1=C(C=C(C=C1)C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)NC3=CC(=CC=C3)O)C(F)(F)F)OC 1 4.346 3 6 0 -10.4659671433378 5080771 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4Br 1 4.686 2 2 -16.6344250728693 5080728 COC1=C(C(=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)OC)OC 1 1.983 1 10 0 -17.563639151712 5080726 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)CC2=CC=C(C=C2)Cl 1 2.326 1 5 -11.0986651815289 5080725 CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.409 4 5 0 -34.0485982301399 5080707 COC(CNC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S)OC 1 2.864 3 4 0 -17.0594245325302 5080687 CC1=C(C2=CC=CC=C2N1)CCN(CC3=CC=CO3)C(=S)NC4=CC(=CC=C4)OC 1 6.14 3 2 -7.89927980242716 5080658 CCCCCCCCCCOC(=O)C1=CSC2=C1SN=N2 1 5.648 2 2 -8.30915931069431 5080656 CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC(CC3=C2SC=C3)C(=O)OC 1 2.998 2 4 -8.47150759761275 5080646 CC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)N2CC3(CC2CC(C3)(C)C)C 1 2.538 2 4 -21.5834406410991 5080638 CC1=NN(C(=C1C2(C3=CC=CC=C3N(C2=O)C)O)N)C4=CC=CC=C4 1 1.806 4 2 0 1.10086727562855 5080495 CC1CSC2=CC=CC=C2NC1=S 1 3.26 1 0 -3.08276095389897 5080398 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3CCC(CC3)CC4=CC=CC=C4 1 4.128 3 4 0 -6.02941126096158 5080387 CCC1=CC=C(C=C1)NC(=S)N(CCC(C)C)C2CCN(CC2)C(=O)C 1 4.941 3 1 -13.3528281916702 5080376 C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)F 1 3.994 3 3 -5.17067244026065 5080345 C1C(=O)N(C(S1)C2=CN=CC=C2)C3=CC=C(C=C3)F 1 2.294 2 1 -9.75938055446411 5080344 COC1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)OC 1 3.206 1 3 -11.8182678546142 5080309 CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=CO2 1 1.79 3 4 0 -20.6092275656412 5080198 COC1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)F 1 3.428 1 2 -10.2800718869314 5080107 CN(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=COCCO3 1 0.531 4 4 0 -8.80753018051699 5080063 CC1CCCC(N1NC(=S)NC2=CC=C(C=C2)OC)C 1 3.81 3 1 -6.02938641802642 5079937 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=N4 1 2.019 5 4 0 -22.2537572964336 5079883 CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC 1 4.39 4 3 0 -26.1016994142305 5079850 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)O 1 1.578 0 4 0 -9.81422888894316 5079801 CCC(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCCO3 1 2.347 2 3 -1.63380867350754 5079751 COC1=CC=CC(=C1)C2CC3=CC=CC=C3C(=O)O2 1 3.355 0 3 1.47186250983992 5079713 CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4CC=CCC4C(=O)O 1 3.346 3 4 0 -4.3307704732851 5079645 CC(C)(C)NC(=S)N1CCN2C=CC=C2C1C3=CN=CC=C3 1 3.472 4 0 -18.1510526224138 5079626 C1=CC2=NC(=C(N2C=C1)NC(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F 1 4.252 3 1 -3.83012289902204 5079532 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)C3COC4=CC=CC=C4O3)Cl 1 3.772 3 4 0 -9.48863139429153 5079504 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3COC4=CC=CC=C4O3 1 2.347 3 7 0 -13.5392960042909 5079414 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NCC3CCCO3)C 1 0.748 3 3 0 -23.5745617268614 5079377 C1CN(CCN1CC(=O)C2=CC(=C(C=C2)O)O)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.005 2 5 0 -7.8091751537968 5079360 COC1=CC=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)CBr 1 2.479 3 2 -0.524406160585321 5079333 CC1=CC=C(C=C1)CC(=O)NCC(C2=CC=CC=C2)O 1 2.631 1 2 -7.71510261215543 5079298 C1CCC2=C(C1)C(=NO2)C(=O)N3CCC4=CC=CC=C4C3 1 3.168 2 2 -16.0134548804163 5079250 COC1=CC(=C(C=C1)OC)C=NN(CCC#N)C2=NS(=O)(=O)C3=CC=CC=C32 1 2.417 4 4 0 -7.9437893813848 5079247 CC1=CC=C(C=C1)NC(=S)NN=CC2=CC=CN2CC3=CC=CC=C3F 1 5.952 4 0 -7.72398328854664 5079187 CC1=CC(=CC=C1)COC2=CC=CC=C2C=NNC3=CC=C(C=C3)[N+](=O)[O-] 1 5.396 3 3 1.7080040147666 5079148 C1CCC2=NN=C(N2CC1)C(=NNC3=CC(=CC(=C3)Cl)Cl)C#N 1 4.188 6 0 -7.03411099702563 5079146 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 3.568 3 3 -2.33528308955331 5079117 CC1=C(C(=CC=C1)NC(=S)NCC2=CC3=C(C=C2)N(C(=C3)C)C)C 1 5.713 3 0 -6.09072119071205 5079115 CCOC1=CC=C(C=C1)C(=O)N(CN2CCCC2=O)C3=CC(=CC=C3)Cl 1 3.453 2 3 -13.0104514356522 5079112 CCC1CCCCN1CC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C 1 4.477 5 2 0 -14.5162392473762 5079107 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3)Cl 1 2.454 4 4 0 -20.6265628660919 5079071 CC(C)CCN(C(C)C1=CC=NC=C1)C(=S)NC2=CC(=CC=C2)OC 1 5.422 3 1 -6.45599975607693 5079069 CC(C)CCN(C(C)C1=CC=NC=C1)C(=S)NC2=CC=C(C=C2)OC 1 5.422 3 1 -6.81270515076459 5079066 CC1=CC(=C(C=C1)NC(=S)N(CCC(C)C)C(C)C2=CC=NC=C2)Cl 1 6.589 3 0 -3.55915902922898 5079010 CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC=CC=C3 1 2.099 2 5 0 -22.9761490046052 5078976 CCOC1=CC=CC=C1N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C4=CC=CC=C4 1 2.585 4 5 0 -29.1140334029949 5078795 CCOC1=CC=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=CC=C4 1 2.799 3 4 0 -7.57827286422787 5078785 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-] 1 3.811 3 5 0 -13.6048449429801 5078777 CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4CCCCC4)NC1=S 1 3.652 4 3 0 -9.00743260902142 5078769 CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)NC1=S 1 3.502 3 5 0 -18.4835435656984 5078768 CC1=CC=CC=C1C(=O)NC2=NN=C(O2)C3=CN=CC=C3 1 1.791 4 2 0 -7.47549865482058 5078759 CC(C)(C)C(=O)NCCC1=NC2=CC=CC=C2N1CC(=O)C3=CC=CC=C3 1 3.922 3 2 -14.5368173285256 5078724 CSC1=CC=C(C=C1)C=NNC2=CC=CC(=C2)C(=O)O 1 3.62 2 2 1.0483026018036 5078684 CSC1=NSC(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)O 1 2.57 3 3 -12.0049443766212 5078665 CCCCC(=O)C1=C(CC(CC1=O)(C)C)NC2=CC=C(C=C2)N 1 3.227 2 2 -10.7006133750835 5078662 CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4)C5=CC=NC=C5 1 0.548 7 5 0 -26.0822789527543 5078624 CC1=C(C=C(C=C1)NC(=O)CNCC2=CC=CC=N2)S(=O)(=O)N(C)C 1 0.671 4 3 0 -12.2247266906423 5078614 C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=C(C=CC=C4Cl)F 1 2.934 3 3 -18.1673528549807 5078566 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(Cl)(Cl)Cl 1 2.463 3 4 0 -9.90480743337561 5078546 CC1=CC=CC=C1N2C(=C3CSCC3=N2)NC(=O)CCCl 1 3.085 3 1 -8.07186992493022 5078536 CC(C)NC(=O)CN1C2=CC=CC=C2C(=O)C1=O 1 0.662 2 3 0 -8.04354162175078 5078522 CC(C)CCOC1=CC=C(C=C1)C(CC(=O)N)C(=O)O 1 2.072 1 4 -8.25171880227099 5078401 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3 1 1.475 2 3 0 -24.2479973007841 5078302 C1=C(OC(=C1)Br)C=NNC(=O)C2=CC(=CN=C2)Br 1 2.244 3 2 -7.24991676703401 5078272 C1=CC=C(C(=C1)NC(=O)NC2=NC=CN=C2)Cl 1 1.425 4 1 0 -4.50524159987924 5078212 CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CC(CC(C3)C)C)NC1=S 1 3.948 4 2 -13.6988031627835 5078206 C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl 1 3.491 3 3 -7.25613355511299 5078178 CC1=NN(C(=C1C2(C3=CC=CC=C3NC2=O)O)N)C4=CC=C(C=C4)F 1 1.806 4 2 0 -3.00962839953159 5078157 C1CCC(CC1)C(=O)NC2=NN=C(O2)C3=COCCO3 1 0.831 3 4 0 -2.74584227388054 5078043 C1CN(CCC12OCCO2)C(=O)C3=NNC(=O)C4=CC=CC=C43 1 0.458 3 4 0 -16.0178583991899 5077853 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCC5(CC4)OCCO5 1 1.284 4 6 0 -16.3854244240698 5077731 CC1=NC=C(C2=C1OC(=NC3=CC=CC(=C3)C(=O)N)C(=C2)C(=O)NC4=CC=C(C=C4)C(=O)OC)CO 1 1.866 4 6 0 -8.01400881128879 5077662 COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)NCC(OC)OC)N=C2C4=CC=C(C=C4)OC 1 4.301 3 5 0 -7.95986839393993 5077653 CC(=NNC(=O)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)N3CCOCC3 1 3.178 3 2 -5.94923675843332 5077645 CC1=CC(=CC=C1)NC(=S)N(CCN(C)C)C(C)C2=CC=CO2 1 4.922 3 1 -5.84069681756526 5077643 CC1=CC(=C(C=C1)NC(=S)N(CCN(C)C)C(C)C2=CC=CO2)C 1 5.408 3 1 -9.52341692735614 5077641 CC1=C(C=C(C=C1)NC(=S)N(CCN(C)C)C(C)C2=CC=CO2)C 1 5.408 3 1 -7.87886295900973 5077639 CC(C1=CC=CO1)N(CCN(C)C)C(=S)NC2=CC=C(C=C2)OC 1 4.42 3 2 -8.04391435351375 5077637 CCC1=CC=CC=C1NC(=S)N(CCN(C)C)C(C)C2=CC=CO2 1 5.378 3 1 -8.97877173042571 5077587 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)N3CCCC3)C)[N+](=O)[O-] 1 1.734 4 4 0 -7.55182978840074 5077519 CC(C(=O)NC1=CN=CC=C1)OC2=C(C=C(C=C2)Br)Br 1 3.28 2 2 -7.10181478834623 5077516 CN1C(=C(C(=O)N(C1=S)C)C(C2=CC=CC=N2)C3=C(N(C(=S)N(C3=O)C)C)O)O 1 2.942 5 4 0 -3.77458607123284 5077441 CC1=CC=C(C=C1)C(=O)OC2C(=C(C(=O)O2)Cl)N3CCOCC3 1 2.405 1 5 -7.04585379653303 5077402 CC(C)NC(=O)CCN1C(=O)C=CC(=N1)C2=CC=CC=C2 1 1.687 3 2 0 -14.0966028801399 5077361 CC1CC(CC(C1)(C)C)NC(=O)CC2=CC=C(C=C2)Br 1 4.389 1 1 -8.42665404016219 5077327 CC1=NN2C(=C(SC2=N1)C(C3=CC=CS3)N4CCN(CC4)C5=CC=CC=C5)O 1 4.062 5 1 0.63357516397514 5077322 CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4 1 2.684 6 4 0 -16.3541396620312 5077316 CCS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 2.667 3 5 0 -11.6857450613405 5077291 CCCNC(=O)C1=CC(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC)[N+](=O)[O-] 1 2.891 2 6 0 -18.8426832389045 5077268 C1CN(CCN1CC2=CC=CC=C2F)CC(=O)NC3=CC=CC=C3Cl 1 3.367 3 1 -3.48791824571361 5077264 C1CN(CCN1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)C3=C(C=CC=C3F)F 1 3.19 3 2 -10.2472547613598 5077244 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC3=NN=C(S3)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.851 4 3 0 -10.5989264835089 5077197 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 1.015 4 6 0 -27.8896641036987 5077186 CC1=CC(=NC(=N1)NN=CC2=C(OC3=CC=CC=C32)C)C 1 2.568 4 1 -1.85616659677227 5077149 C1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5 1 6.855 2 2 -0.300551029834705 5076945 C1COCCOCCOCCOCCNC(=S)NCCOCCOCCOCCOCCNC(=S)N1 1 -9.5e-002 4 8 0 -9.7295115658125 5076888 C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 1 5.091 3 3 -3.39129440120386 5076797 CCOC1=CC=C(C=C1)NC(=S)NN2CCN(CC2)C 1 2.444 4 1 -3.95074576694113 5076788 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)COC2=C(C=C(C=C2)Cl)C 1 4.174 2 6 0 -7.10296251253181 5076721 CC1=C(C=C(C=C1)C(=O)NC2=NN=C(O2)C3=COCCO3)C 1 1.341 3 4 0 -6.06953170027079 5076511 CC1C(OC(O1)(C)C)C2CNC3=C(N2C(=O)C4=CN=CC=C4)C(=O)N=C(N3)NC(=O)C(C)(C)C 1 0.245 6 5 0 -29.0120980842271 5076508 CC1CNC2=C(N1C(=O)C3=CN=CC=C3)C(=O)N=C(N2)NC(=O)C(C)C 1 0.114 6 3 0 -21.7313573317586 5076497 C1CCC(CC1)C2CCCCC2=NNC(=O)CC#N 1 2.971 3 1 -12.1009380831004 5076493 CC1=CC=C(C=C1)CN2CCN(C2=O)CC(=O)O 1 1.151 2 3 0 -8.75667431047297 5076487 C1CNC(=O)N(C1)CC2=CC=C(C=C2)Cl 1 1.704 2 1 0 -8.32017422742759 5076486 CC1=CC=C(C=C1)CN2CCCNC2=O 1 1.526 2 1 0 -10.1421729180144 5076481 C1CN(C(=O)N1)CC2=CC=C(C=C2)Cl 1 1.642 2 1 0 -8.28673139134758 5076480 C1CN(C(=O)N1CC2=CC=C(C=C2)F)CC(=O)O 1 0.87 2 3 0 -8.04479728500771 5076433 CCN1CCC2=C(C1)SC(=N2)NC(=O)C3=CC=CC=C3 1 2.329 3 1 -6.74536489007201 5076430 CC1=CC=C(O1)C(=NNC(=S)NCC2=CC=CC=C2)C 1 3.336 3 1 -5.69776807213204 5076386 CCOC(=O)C1=C(NN=C1SCC2=CC=CC=C2)N 1 2.52 3 2 -10.2662567265117 5076251 COC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)OC 1 4.301 3 5 0 -18.2255763114814 5076145 CN1C(=NN=N1)NC(=O)C2=CC=CC=C2Cl 1 1.131 5 1 0 -14.5535223746638 5076107 CCOC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)F)C3=C(N4C(=NC(=N4)C)S3)O 1 2.894 5 3 0 -5.40300867053648 5076106 C1CCC(CC1)C(=O)N2CCN=C2SCC3=CN=CC=C3 1 3.203 3 1 -11.8830752961125 5076104 CC(C(=O)N1CCN=C1SCC2=CC=C(C=C2)F)OC3=CC=CC=C3 1 4.417 2 2 -13.0185666937635 5075959 CCC1=CC=C(C=C1)NC(=O)C2=NOC3=C2CCC3 1 3.366 2 2 -11.2399629047989 5075946 CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OCC)NC1=S 1 2.637 4 4 0 -9.8242311534793 5075935 C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl 1 4.264 3 2 -5.33336859116932 5075918 CC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)Cl 1 3.896 2 3 -7.3337512760931 5075892 CC(C)(C)C(=O)N(C)C1=CC=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2 1 3.61 2 3 -13.4102808113071 5075776 CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=CC=C2NS(=O)(=O)C3=CC=CS3 1 3.874 2 4 -5.42505391351252 5075681 CC1(CC2=C(C(=O)C1)C3(C4=CC=CC=C4N(C3=O)C)C(=C(N2C5=CC(=CC(=C5)Cl)Cl)N)C#N)C 1 4.275 4 2 -9.96420660451464 5075674 CCOC(=O)COC1=CC=CC=C1C2NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl 1 4.935 2 4 -14.8298982877685 5075632 CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.803 2 5 0 4.79019013522494 5075630 CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCC3=CC=CO3 1 2.217 2 4 4.74865737601434 5075479 CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCCC3=CC=CC=C3 1 3.356 2 3 6.54371010414649 5075478 CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCC3=CC=CC=C3 1 3.035 2 3 5.95215659228075 5075453 CCN(CC)CCCNC(=O)C(C)N1C2=CC=CC=C2C3=NC(=O)C=C(N31)C 1 2.054 5 2 0 -15.0075712820496 5075362 CC#CCC(CC#CC)C1=NC2=CC=CC=C2C(=O)N1N 1 3.56 3 1 -10.0950894441797 5075291 CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)C(C)C(=O)NC4=CC=C(C=C4)C(=O)C 1 2.472 4 3 0 -15.724199893897 5075194 CC1=CC=CC=C1N(C2CCCC2)C(=O)C 1 3.044 1 1 -6.24193296764609 5075159 CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=CC=C(C=C3)COC4=C(C=CC(=C4)Cl)Cl 1 7.199 3 2 -5.46963282838103 5075158 CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=CC(=CC=C3)COC4=CC=C(C=C4)Cl 1 6.535 3 2 -4.24238956036042 5075156 CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=CC=C(O3)COC4=CC=CC=C4Cl 1 6.008 3 3 -7.03735017537489 5075128 CC1=CC2=C(C=C1)OC3(C(C2NC(=S)N3)C(=O)NC4=CC=C(C=C4)Cl)C 1 3.976 3 2 -1.22352395487172 5075120 CCCOP(=O)(C(C1=CC=CC=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCCC 1 3.83 1 7 0 -15.4638385055591 5075017 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC2)C(=O)NCCC(C)C 1 2.789 2 3 -21.9876049793806 5075016 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC2)C(=O)NCCCOC 1 1.14 2 4 0 -21.7811592285545 5075015 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC2)C(=O)NCC3=CC=CC=C3OC 1 2.776 2 4 -20.5920236490522 5074994 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NN=CC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.625 4 2 -14.2902342737231 5074992 CC1=C(C=C(C=C1)NCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)N(C)C 1 0.971 5 4 0 -24.7075603715204 5074938 CCOC1=CC=C(C=C1)N2C3=C(C(=O)N=C(N3)SCC(=O)NCC4CCCO4)SC2=S 1 3.961 4 4 0 -24.7018031572873 5074937 C1=CC=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S 1 3.354 3 2 -16.1291176396288 5074827 CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3)C4=CC(=CC=C4)NC(=O)C 1 2.766 5 2 0 -10.4008534663414 5074864 CCOC(=O)CN1C2=CC=CC=C2N=C1C(=O)C 1 1.753 2 3 0 -7.46609151099948 5092964 CC(=NNC(=O)C1=CC=CO1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 3.049 3 3 -9.35232052284966 5092715 CC1=CC(=CC=C1)N2C(=S)NC3C(C2(OC4=CC=CC=C34)C)C(=O)N(C)C 1 4.148 3 2 -2.56166960376568 5074530 CCC(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)OC2=CC=CC=C2 1 2.169 2 4 -14.5440141134079 5092710 CC12C(C(C3=C(O1)C=CC(=C3)Cl)NC(=S)N2C4=CC=C(C=C4)OC)C(=O)N(C)C 1 4.31 3 3 -2.4729872804492 5092708 CC1=CC=C(C=C1)N2C(=S)NC3C(C2(OC4=C3C=C(C=C4)Cl)C)C(=O)N(C)C 1 4.813 3 2 -2.06002107130506 5092679 CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2CCCC2 1 3.775 1 3 -12.8558846231347 5074438 CC(=NNC1=CC(=C(C=C1)Cl)Cl)C2=CC=C(C=C2)N3C=CN=C3 1 4.427 4 0 1.0431620425903 5074427 C1CCC2=C(C1)C(=NN2)C(=O)NN=CC3=CC(=CC=C3)Cl 1 3.603 4 1 -7.44479618097089 5074330 COC(=O)C1C(C(=NN1)C(=O)C2=CC=C(C=C2)Br)C3=CC(=CC=C3)Br 1 3.982 2 3 -5.99056732116749 5074171 CC(C)CCNC(=O)COC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)F 1 3.353 2 4 -17.9483829851185 5074168 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)OC 1 2.418 3 8 0 -28.9237038921866 5074165 CC(=NNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCOCC3)C4=CC5=C(C=C4)C=C(C=C5)OC 1 3.613 5 5 0 -17.9417433868401 5074062 CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCOCC4)C 1 3.537 4 2 -6.02271837478295 5092626 CCOC1=CC=CC=C1N(C2=NC(CS2)C)C(=O)NC3=CC(=CC=C3)Cl 1 5.167 3 2 -5.12667590735573 5092614 CC(C)CCNC(=O)C1=CC2=C(C=C1)N(C=N2)C3CCCCC3 1 4.198 3 1 -16.1461962871766 5092586 CC1=CC(=CC=C1)N2C(=S)NC3C(C2(OC4=C3C=C(C=C4)Cl)C)C(=O)N(C)C 1 4.813 3 2 6.24368502315903e-003 5092584 CC12C(C(C3=C(O1)C=CC(=C3)Cl)NC(=S)N2C4=CC(=CC=C4)Cl)C(=O)N(C)C 1 4.991 3 2 9.37503897595345e-002 5092583 CC12C(C(C3=C(O1)C=CC(=C3)Cl)NC(=S)N2C4=CC=C(C=C4)Cl)C(=O)N(C)C 1 4.991 3 2 -2.22733664386193 5073867 COC1=NC(=NC(=N1)OC2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC 1 2.824 5 7 0 -5.11430314558533 5092472 CCOC1=CC=CC=C1NC(=O)CN2C3=C(C=C(C=C3)Cl)OC2=O 1 3.179 2 4 -5.19653925206441 5073717 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 1 4.025 4 4 0 -7.54274342837361 5073725 C=CCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4 1 3.318 3 4 0 -12.7105202200098 5073703 C1=CC=NC(=C1)CNC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)F 1 2.386 3 3 -11.1664715465069 5092120 C1=CC(=CC=C1N2C=NC=C2C(=O)NN)F 1 0.506 4 1 0 2.53922144623386e-003 5073423 CC1(CC2=CC=CC(=C2O1)C(=O)NC(C)(C)C)C 1 2.61 1 2 -12.3462789842247 5073389 C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC(=O)N3CCOCC3 1 2.299 1 4 -8.29423448716886 5073325 C1=CC=C(C=C1)CCC=NNC(=O)C2=CC=CO2 1 2.462 2 2 -5.17818226232547 5073298 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=C(C=CC(=C4)OC)OC 1 2.557 4 6 0 -16.0625846596582 5073297 CCOC1=CC=C(C=C1)NC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 2.922 4 5 0 -14.5100795560177 5073296 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCC(CC4)C(=O)N 1 0.694 5 5 0 -13.9978225939181 5073292 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCCC4=CC(=C(C=C4)OC)OC 1 2.885 4 6 0 -19.3139468147066 5073289 CCN(CC)CCNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC 1 1.85 5 4 0 -16.0191725982274 5073286 COCCCNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC 1 0.945 4 5 0 -19.3441430571103 5073263 CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2NC(=O)C4=CC=CC=C4)SC=C3 1 4.152 4 3 0 -29.5259752056246 5073244 CS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 2.318 3 5 0 -11.7260424148329 5073231 CC1=NN2C(=C(SC2=N1)C(C3=CC=CS3)N4CCOCC4)O 1 2.121 4 2 -3.33189977506039 5073230 CC1CC(CN(C1)C(C2=CC=CS2)C3=C(N4C(=NC(=N4)C)S3)O)C 1 3.989 4 1 -4.03658612121979 5073167 CN1CCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC(=CC=C3)SC 1 5.071 4 0 -1.9204757013263 5073166 C1CCN(CC1)CCN(CC2=CC=CO2)C(=S)NC3=CC=CC=C3F 1 5.074 3 1 -8.98886520962594 5073157 COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)N4CCC5(CC4)OCCO5)N=C2C6=CC=C(C=C6)OC 1 4.633 3 5 0 -3.85724420679142 5073115 CCCCNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC 1 2.342 4 4 0 -18.1638774267964 5073114 CN(C)CCNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC 1 1.152 5 4 0 -13.5299803844325 5073112 CC(C)NC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC 1 1.74 4 4 0 -19.5868676086246 5073075 CC1=NN2C(=C(SC2=N1)C(C3=CC=CS3)N4CCC(CC4)C(=O)N)O 1 1.907 5 2 0 -3.52929567892059 5073074 CC1=NN2C(=C(SC2=N1)C(C3=CC=CS3)N4CCC(CC4)C(=O)OC)O 1 2.761 4 3 0 -4.77948952232663 5073073 CCOC(=O)C1CCN(CC1)C(C2=CC=CS2)C3=C(N4C(=NC(=N4)C)S3)O 1 3.109 4 3 0 -6.81281845002779 5073065 C1COCCN1C(=O)CNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 -1.031 4 4 0 -19.9366864455322 5091965 C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.161 2 4 0 -27.2756498831308 5091952 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=NC4=CC=CC=C4C=C3 1 3.744 3 4 0 -11.4020060582095 5091951 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.378 2 5 0 -14.9144050342197 5091797 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=NC=C3 1 2.162 3 3 -17.3375278491877 5091798 CC(C)CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)N 1 1.41 4 4 0 -15.8013734629443 5091819 CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 4.852 3 3 -15.9384520504785 5073041 CC1=CC(=NC2=NC(=NN12)CC(=O)NCC3=CC(=CC=C3)OC)C 1 1.717 5 2 0 -15.8431953028574 5073039 CC1=CC(=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CS3)C 1 5.232 3 1 -10.2110114082997 5073035 COC1=CC=C(C=C1)NC(=S)N(CCCN2CCCC2)CC3=CC=CO3 1 4.459 3 2 -7.75121902328971 5073033 CCN1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Cl 1 4.985 4 1 -6.13775076461952 5073032 C1COCCN1CCCN(CC2=CC=CS2)C(=S)NC3=CC=C(C=C3)Cl 1 4.924 3 1 -6.49654393472634 5073031 CN1CCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=C(C=C3)Cl 1 5.194 4 0 -2.10356263344944 5072967 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)NCCC4=CC=C(C=C4)Cl 1 5.018 3 1 -5.58611016794318 5072965 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5 1 3.8 3 3 -9.96811826018132 5072899 CCCCN1C2=CC=CC=C2N=C1CCCNC(=O)CC 1 3.437 3 1 -12.8794741732568 5072859 CCOC1=CC=CC=C1C(=O)NN2C(=O)C3CCCCC3C2=O 1 2.045 2 4 -9.47241712587386 5072789 CCOC1=C(C=C(C=C1)C=NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])O 1 4.375 3 4 0 3.81043446978889 5072686 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)Cl)F 1 3.619 4 3 0 -13.8519296181987 5072680 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NN=CC2=CC3=NC=CN=C3C=C2 1 2.042 5 3 0 -7.66528254345795 5072671 CC1=CC(=C(C(=C1)C)CN2C3=CC=CC=C3C(=C2C(=O)O)C=O)C 1 5.052 1 3 -2.11506178058503 5072669 CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3C(=C2C(=O)O)C=O 1 4.565 1 3 -2.53987877916813 5072629 CCN(CC)C(=O)C1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC(=CC=C3)O 1 3.216 5 5 0 -10.2298161131884 5072578 CC1=CC(=C2CCCC(=NNC(=S)NC3=CC=C(C=C3)OC)C2=C1)C 1 5.804 3 1 -9.98086615674185 5072577 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)NCC5=CC=CO5)OC 1 4.391 3 6 0 -14.4593457290027 5072425 C1CCC(CC1)NC(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2O 1 2.727 3 3 -4.89227960255951 5072344 CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NC4CCCCC4 1 2.529 4 2 -10.8481138512411 5072343 CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NC(C)C4=CC5=C(C=C4)OCCO5 1 2.418 4 4 0 -13.9699570411229 5072317 CCOC(=O)C1=CC2=C(CCCC2=O)N(C1=O)C3=CC=C(C=C3)Cl 1 2.854 1 4 -13.3828062674106 5072235 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 1.931 4 7 0 -16.8112856443503 5072184 C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=NC=NN2 1 0.705 6 5 0 -9.82409886273518 5072070 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])F 1 1.681 3 6 0 -10.6138983173141 5072069 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)COC3=CC=C(C=C3)Cl 1 2.081 2 5 0 -8.55153091492219 5072011 C1CN(CCN1CC(=O)NC2=CC(=CC=C2)F)CC(=O)NC3=CC=CC=C3F 1 1.961 4 2 0 -4.4840661802267 5072004 CCC1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)OC 1 3.166 1 4 -14.5332672152153 5072002 CC1=C(C(=CC=C1)C)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)OC 1 3.196 1 4 -14.6324926229721 5071932 CC1=C(C(=NN1CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)[N+](=O)[O-])Br 1 1.41 5 6 0 -15.6912345835666 5071930 CC1=C(C(=NN1CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)[N+](=O)[O-])Cl 1 1.326 5 6 0 -14.9565793224871 5071878 C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)F)F)CC(=O)NC3=CC=CC=C3F 1 2.166 4 2 -4.48001211081043 5071876 C1CN(CCN1CC(=O)NC2=CC=CC=C2F)CC(=O)NC3=CC=CC=C3F 1 1.961 4 2 0 -5.62266157763765 5071874 C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCCO3)CC(=O)NC4=CC=CC=C4F 1 1.541 4 4 0 -10.0560702817747 5071792 CCCCCCC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CN=CC=C2 1 3.144 4 2 -13.1698873888215 5071728 CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CN4C(=O)C5=CC=CC=C5C4=O 1 3.588 2 7 0 -15.0622822534099 5071699 C1=CC(=CC(=C1)Cl)CN2C=CC=C2C(=O)N 1 2.671 2 1 -1.75947568092013 5071689 CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CCC(=O)O 1 4.519 1 2 -8.04795262726417 5071683 CC1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)O 1 0.232 2 4 0 -13.5356193755931 5071643 C1COCCN1CCCNC(=O)C2=C(C=C(C=C2)Br)Br 1 2.423 2 2 -5.44146182875559 5071641 CN(C)N1C2=C(C(C(=C1N)C#N)C3=CSC=C3)C(=O)CCC2 1 0.91 4 1 0 -20.2715667060082 5071625 COC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)NCC(OC)OC)N=C2C4=CC(=C(C=C4)OC)OC)OC 1 4.268 3 7 0 -11.7276440218096 5071619 CCC(C)NC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC(=C(C=C3)OC)OC)C4=CC(=C(C=C4)OC)OC 1 5.58 3 5 0 -13.0363196357794 5071542 CC1CC(CN(C1)C(=O)CCNS(=O)(=O)C2=CC=CS2)C 1 1.597 2 3 0 -16.4513585243975 5071529 CC1=NNC(=O)C1CCC(=O)NN=C(C)C2=CC=C(C=C2)Cl 1 1.306 4 2 0 -18.877953050124 5071511 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC 1 3.322 4 5 0 -12.2452722780661 5071487 CCNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCC2)[N+](=O)[O-] 1 1.464 3 5 0 -16.7295023486146 5071425 C1=CC(=NC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)C(=O)NC3=C(C=C(C=C3)F)F 1 3.927 3 2 -7.17283806260284 5071412 C1CCC2=NC3=CC=CC=C3C(=C2C1)NC4=CC=CC(=C4)C#N 1 4.965 3 0 4.27590255747422 5071411 C1CCC2=NC3=CC=CC=C3C(=C2C1)NC4=CC5=C(C=C4)OCCO5 1 4.872 2 2 1.87188929562492 5071378 C1CCN(C1)C(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43 1 1.278 3 3 0 -8.44068220915022 5071377 C=CCN1C=NC2=C(C1=O)OC3=CC=CC=C32 1 2.168 2 2 -3.86554726723299 5071375 CCCCN1C=NC2=C(C1=O)OC3=CC=CC=C32 1 2.88 2 2 -0.288608907290491 5071374 CC(C)N1C=NC2=C(C1=O)OC3=CC=CC=C32 1 2.277 2 2 1.18268553988031 5071373 CCCN1C=NC2=C(C1=O)OC3=CC=CC=C32 1 2.423 2 2 -0.939382913801205 5071372 CCN1C=NC2=C(C1=O)OC3=CC=CC=C32 1 1.9 2 2 0 -5.64205040400878e-002 5071363 COC1=CC=C(C=C1)OCC(=O)NN=C2CCCCC3=CC=CC=C32 1 3.72 2 3 -8.90995029812583 5071313 CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)N4C(CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6 1 3.963 6 3 0 -8.91437334408075 5071279 CCCCC(=O)C1=C(CC(CC1=O)(C)C)NC2=CC=C(C=C2)OC 1 3.957 1 3 -11.8115874565789 5071222 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NCC3=CC=CO3 1 1.385 2 3 0 -21.0266047508154 5071220 C1=CC=C(C=C1)N2C=CC(=N2)NC(=O)C3=CC=CC=C3Br 1 4.128 3 1 -0.331457320606485 5071219 CC1(C2CC=C(C1C2)C=NNC(=S)NCCC3=CC=CC=C3)C 1 4.585 3 0 -2.54022799849499 5071141 CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4C)SC2=S)C 1 6.932 3 3 -16.0376997914706 5071133 CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4OC)SC2=S)C 1 6.43 3 4 0 -16.4495440772436 5071077 CC(=NNC(=O)CC1=CC=CC=C1)C2=CC=C(S2)Cl 1 3.111 2 1 -3.35524115478947 5070972 COC1=C(C=C(C=C1)C(=O)ON=C(C2=CC=CC=C2)C3=CC=NC=C3)OC 1 3.605 2 4 -6.43963374677187 5070966 CCN1C=C(C2=CC=CC=C21)SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.631 2 3 -15.8791487031275 5070905 CC1=CC=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br 1 4.379 3 3 2.10408976641921 5070915 CC(C1=CC=CO1)N(CCN(C)C)C(=S)NC2=CC(=CC=C2)OC 1 4.42 3 2 -7.78460318535087 5070929 C1CCCC(CC1)NCC2=CNC3=CC=CC=C32 1 3.975 2 0 2.58092042516221 5070902 CC1=C(C=CC(=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br)Br 1 2.25 4 3 0 -13.3122452596569 5070837 C1=CC(=C(N=C1)Cl)C(=O)NCCCCNC(=O)C2=C(N=CC=C2)Cl 1 1.983 4 2 0 -7.13963732896764 5070816 COCCNC(=O)C1=CC(=C(C=C1)N2CC3CC(C2)C4=CC=CC(=O)N4C3)NC(=O)C5=C(C=CC=C5F)F 1 2.143 4 4 0 -18.9343871777427 5070809 CCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)F)OC)OC 1 5.034 2 3 -16.112551132525 5070790 COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN3CCCC(=O)N=C3S2 1 3.406 4 3 0 -15.3367594071483 5070787 CCOC(=O)N1CCN(CC1)C(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4Cl 1 3.577 3 5 0 -10.1449980394772 5070783 CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O 1 1.671 0 5 0 -1.80806887791974 5070711 CC1(CC2C3=CC=CC(=C3C(=O)N2C4=C1C=CC5=CC=CC=C54)C(=O)O)C 1 4.129 1 3 -3.6240067178082 5070678 CC1=C(C=CC(=C1)Cl)OCC(=O)NN=C2CC3C2CC=C3 1 2.836 2 2 -6.86858231167373e-003 5070669 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)N 1 2.241 4 3 0 -9.06801047226038 5070545 CC(C)CNC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)Cl 1 2.626 5 1 -14.1933727385907 5070465 CCCCC(CC)CNC(=O)C(=O)C1=CC=CC=C1NC(=O)C 1 3.06 2 3 -16.3472636286877 5070408 COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=CO3 1 1.704 2 4 0 -10.4448802970446 5070403 CC1=CC=C(C=C1)NC(=O)C2C(C=CC(C2C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.871 1 3 1.11889243883965 5070278 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)CC(C)C 1 2.291 4 2 -20.3095510702649 5070277 CCC(C)NC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3 1 1.271 3 4 0 -30.511380972826 5070268 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O 1 4.607 0 3 -6.96684875634538 5070263 CC1CN(CC(O1)C)C2=NC3=CC=CC=C3C(=C2)C 1 3.026 2 1 -0.717426568531006 5070262 CC(C)(C)C(=O)NC1CCSC1=O 1 1.201 1 2 0 -15.8782263400288 5070251 COC1=CC(=CC(=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)OC 1 1.548 2 6 0 -13.2419219696371 5070249 CC1=C(C=CC(=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)[N+](=O)[O-] 1 1.962 3 6 0 -15.0951134602319 5070248 CC(C)(C)C1CCC(CC1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC 1 3.209 2 4 -12.9789356580983 5070245 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.476 3 6 0 -14.5626949553431 5070243 COC1=CC(=CC(=C1OC)OC)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC 1 1.532 2 7 0 -14.3517364490654 5070204 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCCCN3C=CN=C3)[N+](=O)[O-] 1 1.816 5 3 0 -8.4477937571339 5070178 CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C 1 1.91 7 2 0 -11.7624013688772 5070161 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CSC(=C2)C 1 1.583 2 2 0 -4.48129564885267 5070146 CC(C)(C(=O)NC1CCCCC1)OC2=CC=C(C=C2)Cl 1 4.192 1 2 -4.71093229237287 5070081 CC(=O)NC1=CC(=C(C=C1)OC)C#N 1 0.812 2 2 0 -6.96149807865117 5070065 CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)C)C)O)C(=O)C4=CC=C(O4)C 1 3.67 2 6 0 -18.1028215952962 5070057 CCOC(=O)C1=C(N=C(C(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)C 1 1.384 4 6 0 -12.8092269625267 5070030 CC1=CC(=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=CS4)C 1 3.393 3 3 -8.68523556801804 5070001 C1CCN(CC1)C(=O)CSCC(=O)NC2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.368 3 2 -8.17029332303766 5069995 CC1=CC(=NN1CC(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.249 7 5 0 -17.374986188771 5069994 CCCCN1C(=NNC1=S)C2=C(C(=NN2C)C)Cl 1 3.318 5 0 -4.13592499155247 5069858 COC1=C(C2=NC3=CC=CC=C3N=C2C=C1)NC(=O)C4=CC=CC=C4Cl 1 4.492 3 2 -3.92980992295533 5069805 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 3.885 3 3 -15.1512527266932 5069803 CC(C)C(=O)N1CCN(CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.255 3 3 -8.32270517825056 5069798 CC(=O)C(=NNC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)C 1 1.187 3 6 0 -5.1054184857606 5069788 COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5 1 4.312 4 5 0 -17.8804131801343 5069784 COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 4.043 3 5 0 -10.1151958214594 5069769 CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3 1 1.302 5 3 0 -16.6260221588755 5069751 CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=O)C(S3)CC4=CC=CC=C4 1 4.667 3 1 -1.67090557470461 5069750 CC1=CC(=CC=C1)N2CCN(CC2)C3=NC(=O)C(S3)CC4=CC=CC=C4 1 4.667 3 1 0.571757609382227 5069749 C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C(S3)CC4=CC=CC=C4 1 4.181 3 1 -2.22524023189508 5069588 CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3F)N)C(=O)OC)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C 1 4.215 2 5 0 -27.0975661503013 5069540 CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)NC3=CC=CC=C3OC)C 1 3.757 2 4 -16.2644528162023 5069527 C1CCCCCC(=NNC(=O)C2=CC=CC=C2F)CCCCC1 1 5.351 2 1 -9.87753282067813 5069474 CC1=NN(C(=C1)C2=NNC(=S)N2CC3=CC=CO3)C 1 2.091 5 1 -7.17343900372636 5069458 CCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C 1 4.157 2 3 -12.4943648557789 5069447 CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N(CC)C3=CC=CC=C3 1 4.805 2 3 -13.5489040199449 5069427 CC(=NNC(=O)COC1=CC=C(C=C1)C(C)(C)C)C2=CC3=CC=CC=C3O2 1 4.494 2 3 2.1372597942031 5069383 CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN(C)C 1 4.569 3 1 -5.98841223400537 5069381 CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN(C)C 1 4.506 3 1 -3.50277548562092 5069375 CN(C)CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F 1 4.226 3 1 -2.79089846015567 5069368 C1CSC2=NC=C(C(=O)N21)C(=O)NC3=CC=CC=C3 1 1.223 3 2 0 -11.8895227391955 5069365 C1C2=C(N(N=C2CS1(=O)=O)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=CS4 1 2.314 4 5 0 -8.45493840449039 5069358 CSC1=NC(=NN1C(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.947 3 1 -0.136063004265328 5069258 CC1=CC(=C(C=C1)C)CC2=C(N3C(=C(C=N3)C(=O)NCC4=CC5=C(C=C4)OCO5)N=C2C)C 1 4.175 4 3 0 -17.5967094798167 5069172 C1CCC(CC1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 1 3.56 4 4 0 -7.09499742347334 5069166 C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCCC(=O)NCCC4=CC=CC=C4Cl 1 4.108 3 4 0 -15.8157624293642 5069163 COC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4 1 3.106 3 5 0 -14.7188769914512 5069162 COC1=CC=CC(=C1)CNC(=O)CCCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4 1 3.106 3 5 0 -14.8674760372784 5069161 C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCCC(=O)NCC4=CC=CC=C4Cl 1 3.787 3 4 0 -15.6695502127905 5069160 C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCCC(=O)NCC4=CC(=CC=C4)Cl 1 3.787 3 4 0 -12.3230040834124 5069045 COC1=CC(=C(C=C1)OC)CNC(=O)CCSCC2=C(C=C(C=C2)F)Cl 1 4.107 1 3 -14.3722693435338 5068934 C1=CC=C(C=C1)CCNC(=O)CCS(=O)(=O)CC2=CC(=CC=C2)Cl 1 3.239 1 3 -11.5540347992951 5068932 CC1=CC=C(C=C1)CCNC(=O)CCS(=O)(=O)CC2=CC=C(C=C2)C 1 3.548 1 3 -15.4595715224969 5068931 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCC2=CC(=CC=C2)OC 1 2.724 1 4 -15.3650060182845 5068930 CCC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 1.232 3 5 0 -19.0650192825116 5068879 CC1=C(C=C(C=C1)N2C(SCC2=O)C3=CC=CC=N3)Cl 1 3.673 2 1 -10.5038209365949 5068873 COC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4 1 0.737 2 4 0 -10.7141745034726 5068865 CC(C1CC2CCC1C2)NC(=O)C3=C(C=C(C=C3)OC)OC 1 3.247 1 3 -6.59000961773262 5068849 CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NC4=CC=CC=C4Br 1 2.996 4 2 -9.6768855432877 5068788 CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC3=C(C=C2)OCO3 1 2.621 2 4 -6.59560982483127 5068729 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CN3C2=NC4=C(C3=O)C=C(C=C4)Br 1 1.669 4 4 0 -11.3716427896908 5068706 C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=CN=CC=C3 1 2.193 2 3 -13.2766226071947 5068602 CC1=NN2C(=C(SC2=N1)C(C3=CC(=C(C=C3)OC)OC)N4CCC(CC4)O)O 1 1.88 4 4 0 -5.42409654961808 5068572 COC1=CC=C(C=C1)CN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC 1 3.676 2 4 -4.24355428438653 5068570 CCN(CC)CCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S 1 3.726 3 1 -3.51066708975548 5068558 CN(C1=CC=CC=C1C(=O)NC2CC3CCC2C3)S(=O)(=O)C4=CC=CC=C4 1 3.333 2 3 -10.6848089219586 5068514 COC1=CC=C(C=C1)CN2C(C(=O)N(CC2=O)C3CCCCCC3)C4=CC=C(C=C4)F 1 4.337 2 3 -6.29758158908478 5068513 COC1=CC=CC=C1CN2C(C(=O)N(CC2=O)C3CCCCCC3)C4=CC=C(C=C4)F 1 4.337 2 3 -8.08807305562799 5068396 CS(=O)(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 1.614 3 3 0 -8.98204931149261 5068391 CCOC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)O)N3CC4CC(C3)C5=CC=CC(=O)N5C4 1 2.525 4 5 0 -10.4061017910489 5068387 CC1=CC(=CC(=C1)NC(=O)C2=CC(=NN2C)C)C 1 2.811 3 1 -10.3676585684836 5068385 COC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3 1 4.165 1 3 -8.31081830896902 5068366 CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=CC(=C4)C)N)C 1 3.773 6 1 0 -13.9922633182815 5068365 CC(C)CCNC(=O)CSC1=NC2=C(C(=O)N1NC(=O)C3=CC=CC=C3)SC=C2 1 3.663 4 3 0 -33.582144624502 5068363 C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2CCCCC(=O)O)SC=C3)Cl 1 4.944 2 3 -28.8012690477246 5068352 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NC3=C(C(=O)N2CCCCC(=O)O)SC=C3 1 4.275 3 4 0 -31.1466378555595 5068304 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCC3)C(=O)NC4=C(C=C(C=C4Br)F)F 1 3.191 4 3 0 -18.1750165126072 5068278 CC1=CC(=CC=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)N4CCCC4)C)N 1 2.371 6 1 0 -10.6386372931311 5068264 CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCC3=CC=CO3 1 1.964 3 3 0 -10.8312174074841 5068263 CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCCC(C)C 1 2.779 3 2 -12.7339001518189 5068252 CC(=NNC1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3)C4=CC=CS4 1 0.884 7 2 0 -6.64516170141999 5068175 CCOC(=O)C1=C(N(N=N1)CC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC 1 3.578 5 5 0 -19.3274991063273 5068158 CC1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NC(C)C)C 1 1.889 4 3 0 -30.1384084615077 5068075 CC1CC(=CC(=O)O1)NC2=CC=CC(=C2)C 1 2.403 1 2 -1.80993980420226 5067865 CCCCC1=CC2=C(C=C1)N(C(=C(C2=O)C(=O)C3=NNN=N3)O)C 1 3.176 5 3 0 -0.335676334623005 5067858 CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N3CCC(CC3)CC4=CC=CC=C4 1 4.356 2 3 -5.67023084735979 5067845 CCN(CC)C(=O)C1=C(C2=C(S1)N(C(=O)N(C2=O)C3=C(C=C(C=C3)OC)OC)CC(=O)C4=CC=CC=C4)C 1 4.451 3 6 0 -18.9671658228656 5067753 CC1(C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3F)C 1 3.558 1 2 -0.326931727128513 5067706 C=CCC1CC2=C(C=CC=C2Br)C(N1)CC=C 1 4.124 1 0 -4.26945744430951 5067676 COC1=CC=C(C=C1)C2(CCOCC2)C(=O)NC3=CC=CC=C3 1 2.74 1 3 -9.82482052376606 5067545 C1=CC(=CC(=C1)S(=O)(=O)C2=NC=C(C=C2)O)C(F)(F)F 1 3.021 1 3 -6.27573742124417e-002 5067422 CC1(COC(=N1)C2=CC(=C(C=C2)F)[N+](=O)[O-])C 1 2.446 2 3 -2.27096976143384 5067419 CCOC(=O)C1=CC(=O)N(C2=CC=CC=C21)CC3=CC=CC=C3C 1 3.692 1 3 -3.69387219365343 5067339 CC1CCCN(C1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C 1 4.185 2 1 -3.54109587219297 5067304 CCOC(=O)CSC1=NC2=C(C=C(C=C2)N3CCOCC3)C(=O)N1CC4=CC=CC=C4 1 3.725 3 4 0 -17.8738035938319 5067221 CC1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 3.472 2 1 -9.78412993709948 5067209 CN1C=C(C2=CC=CC=C21)SCC(=O)N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC 1 5.276 3 3 -9.28103578723752 5067132 CC(C)(C)C(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)OC)CC3=CC=CC=C3)O 1 3.825 1 4 -15.7501178105236 5067097 COC1=CC=C(C=C1)C2=NSC(=N2)SCC(=O)NCC3CCCO3 1 2.264 3 3 -15.6273186737681 5067094 COC1=CC=C(C=C1)C2=NSC(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.256 3 4 0 -12.7396495783734 5067063 CC1=C(C=C(N1CCC(=O)NC2=CN=CC=C2)C3=CC=C(C=C3)F)C(=O)C 1 2.764 3 2 -7.02355920021101 5067062 CC1=NC(=CC=C1)NC(=O)CCN2C(=C(C=C2C3=CC=C(C=C3)F)C(=O)C)C 1 3.586 3 2 -6.2030785706404 5067016 COC1=CC=C(C=C1)OCCCCN2C3=CC=CC=C3N=C2CO 1 3.398 2 3 2.38244973398971 5066968 COC1=CC=C(C=C1)C2=NSC(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 3.249 3 4 0 -10.1259015810606 5066924 CC1=C(C=C(C=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)C)C)C 1 3.343 2 2 -6.71950701727084 5066771 CC1=C(C2=CC=CC=C2N1)C(C3=CC=NC=C3)NC4=NC=CS4 1 2.647 4 0 -2.94616527327618 5066751 CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CN=CC=C3)C4=CC=C(C=C4)OC 1 2.212 3 5 0 -11.3464099990316 5066615 C1OC2=C(O1)C=C(C=C2)C(=O)NN3C(NC4=CC=CC=C4C3=O)C5=C6C=CC=CC6=CC7=CC=CC=C75 1 5.072 3 4 0 -10.9743044955109 5066584 CNC(=S)NN=C1C2CN3CCN(C2)CC1(C3)C4=CC=CC=C4 1 1.774 5 0 0 -8.76463053778755 5066507 COC1=CC=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)CCl 1 2.334 3 2 -3.93707791260866 5066472 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CN=C2)Br 1 2.132 2 3 -12.1152024484029 5066379 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)F 1 2.774 3 4 0 -23.0546889996582 5066325 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC4=C3C(=O)NC4=O 1 0.601 3 5 0 -18.6424986139161 5066225 CCN(CC)C(=O)NC(C1=CC(=C(C=C1)C)F)C(Cl)(Cl)Cl 1 4.174 2 1 -5.96196027719352 5066214 CC1=CC=CC=C1C(=O)N2C(CC(=N2)C3=CC=C(C=C3)NS(=O)(=O)C)C4=CC=CS4 1 3.66 3 3 -14.0396380986167 5066143 CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)OC)NC(=O)C3=CC=CO3)C 1 2.72 2 4 -20.3118167354627 5066128 CCC1=CC(=CC=C1)NC(=S)N2CCC(C2)C3=CC=CC=C3 1 5.803 2 0 -5.26310475505454 5066125 CC1=C(C=C(C=C1)Cl)NC(=S)N2CCC(C2)C3=CC=CC=C3 1 6.011 2 0 -4.02984795644007 5066117 C1CN(CC1C2=CC=CC=C2)C(=S)NC3=CC=CC=C3Cl 1 5.525 2 0 -4.62229888490134 5066116 CC1=CC=C(C=C1)NC(=S)NCC2=CC=CN2C 1 3.959 3 0 -9.33383111797772 5066027 CC(=CC1C(C1(C)C)C(=O)NCCC2=CC=CC=C2)C 1 3.66 1 1 -9.53598975249567 5066068 CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C 1 2.608 4 5 0 -23.2907852972707 5066063 C1=C(C=C(C(=C1N)N)[N+](=O)[O-])C(F)(F)F 1 1.173 3 2 0 1.90549817206226 5065882 CC1=CC=CC=C1NC(=S)NCC2=CC=CN2C 1 3.959 3 0 -10.9914782810257 5065909 C1C(=O)N(C2=C(S1=O)C=CC(=C2)C(=O)NC3=CC=CC=C3Cl)CC4=CC=C(C=C4)F 1 3.51 2 3 -6.60790944602864 5065869 C1=CC(=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)N 1 1.585 3 7 0 -15.3253883762764 5065649 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.005 2 5 0 -14.1632377399704 5065580 CC1=CC=CC(=C1)C(=O)ON=C(C2=CC=CC=C2)C3=CN=CC=C3 1 4.124 2 2 -2.03303580000469 5065598 CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=CS3 1 3.677 2 5 0 -15.0045899869316 5065577 C1COCCN1C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=CC(=CC(=C5)Cl)Cl 1 4.453 2 5 0 -4.53932537630877 5065564 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)NC(=O)CN3CCCCC3 1 2.553 5 2 0 -16.6415490196158 5065436 CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)Br 1 2.037 4 4 0 -15.4654192583144 5065355 C1CN(CC1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)Cl 1 3.629 2 1 -0.68640999073755 5065354 CC1=C(C=C(C=C1)NC(=O)N2CCC(C2)C3=CC=CC=C3)C 1 3.937 2 1 -2.75632349596448 5065353 CCC1=CC=C(C=C1)NC(=O)N2CCC(C2)C3=CC=CC=C3 1 3.907 2 1 -2.74784681710345 5065308 CC(C)N1C(CCC1=O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 1.797 3 2 0 -6.90653132999534 5065305 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)C=C3C(=O)N(C(=O)N(C3=O)C)C 1 1.739 4 4 0 -14.4964936406248 5065245 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(SC4=CC=CC=C43)C(=O)OC 1 3.909 2 5 0 -20.0494174840911 5065031 CC1=C(C=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5)C 1 3.207 3 5 0 -6.51808217967974 5065020 CC1=CC=CC=C1NC(=NC2=NC(=O)C=C(N2)COC)N 1 1.18 5 2 0 -11.8872154968254 5064967 CC1=CC=C(C=C1)C=NN(C)C2=NS(=O)(=O)C3=CC=CC=C32 1 2.957 3 2 -3.08683952133583 5064912 C=CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3COC4=CC=CC=C4O3 1 2.908 3 5 0 -14.2562532185017 5064903 COC1=CC(=CC(=C1)NC(=O)CCCl)N2C=NN=N2 1 0.601 5 2 0 -21.7013324113356 5064875 CCOC(=O)C(=NNC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=NN3C4=C(C=CC(=C4)Cl)C(=O)N=C3S2 1 4.597 6 6 0 -4.75571902869215 5064871 CN1C=C(C=C1P(=S)(N2CCOCC2)N3CCOCC3)P(=O)(N4CCOCC4)N5CCOCC5 1 -1.632 5 5 0 -4.35326454496814 5064844 CC(C)(C)NC(=O)N1CCN2C=CC=C2C1C3=CC=CC=C3F 1 3.211 3 1 -19.2373420950372 5064773 C1=CC=C(C=C1)NN=CC2=C(C=CS2)Br 1 4.15 2 0 2.32205092621773 5064757 CCC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(O4)C 1 3.69 4 2 -12.4644784985874 5064733 CC1(C2(CCC1(C(C2=O)Br)C(=O)NC3=C(C=CC=C3Cl)Cl)C)C 1 4.606 1 2 -4.83204443808947 5064731 CC1C(=O)N=C(S1)NN=CC2=C(C=CC(=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C 1 4.542 3 4 0 -11.2193869015155 5064658 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(=O)C3=NC=CN=C3)C4(CCCCC4)C(=O)NC5CCCC5 1 2.43 6 3 0 -24.0803657980793 5064590 CN(C1=CC=C(C=C1)F)C(=O)CCN2C3=CC=CC=C3OC2=S 1 4.361 2 2 -5.89516384089659 5064560 CN1C2=CC=CC=C2C(C3=CC=CC=C3C1=O)O 1 1.998 1 2 0 -1.84650662998774 5064558 CC(=O)OC1=C(C=C(C=C1)C2C3C(C(OC3=O)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)O2)OC 1 2.278 0 10 0 -5.57313069689781 5064535 CCOC(=O)C1=C(SC(=C1)C)N=CC2C(=O)C3=CC=CC=C3C2=O 1 2.926 1 4 -1.62324052563219 5064479 CC1=CC(=O)N=C(N1)NN=C(C)C2=CC=C(C=C2)N3C=CN=C3 1 1.058 6 1 0 -12.3713260811297 5064440 CC(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)F)SC3=NCCS3 1 3.584 4 1 -11.6807189958932 5064437 CC1=CC=C(C=C1)NC(=S)N2CCN3C=CC=C3C2C4=CN=CC=C4 1 4.882 4 0 -14.0095828309485 5064431 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CN(CC4)C)C(=O)N 1 1.983 4 4 0 -23.7084012533051 5064419 CC1=C(C=C(C=C1)NC(=O)CCN2C3=CC=CC=C3OC2=S)F 1 4.641 2 2 -3.99170605481222 5064417 C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)F 1 3.244 2 3 -7.23363096046898 5064416 CNC1=CC=CC=C1NC(=O)CCN2C3=CC=CC=C3OC2=S 1 3.758 3 2 -9.71909618065363 5064411 CC1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3OC2=S 1 4.436 2 2 -5.73511338080244 5064408 CC(C)NC(=O)CCN1C2=CC=CC=C2OC1=S 1 3.099 2 2 -15.0164737162757 5064384 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=CC(=CC=C3)OC 1 3.25 2 2 -9.03607576639773 5064378 COC1=CC=C(C=C1)CC(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-] 1 3.804 3 4 0 -15.8889114823496 5064375 COC1=CC=C(C=C1)CC(=O)N2CCN=C2SC 1 2.327 2 2 -7.83264448216093 5064355 C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC=C(C=C4)Cl)C#N 1 4.914 2 1 1.5468491522403 5064318 CCOCCCNC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S 1 3.207 3 3 -18.1545018964426 5064245 C1CC(OC1)CNC(=O)COC2=NC=NC3=CC=CC=C32 1 1.329 3 3 0 -10.6766126852332 5064185 COC1=C(C=C(C=C1)CNC(=O)COC(=O)CC2CC3CCC2C3)OC 1 2.679 1 5 -11.239898335908 5064170 CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NC4=CC=C(C=C4)Br)C)N 1 3.875 6 2 0 -12.6016748080402 5064165 CC1(C2CCC1(C3=NC4=CC=CC=C4[N+](=C23)[O-])C)C 1 2.949 2 1 -1.44984491397298 5064121 CC1=CC(=C(C=C1)N=C2C(=C(C(S2)C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4)N)C(=O)NCCOC)C 1 2.888 5 5 0 -18.3417043436882 5064032 CC1=CC(=O)N=C(N1)NN=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC 1 2.83 4 4 0 -14.8585300160203 5064031 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.782 4 3 0 -17.0938751266604 5064003 C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CN(N=C4)CC5=CC=CC=C5 1 3.322 4 1 -9.53453015302031 5063933 C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4 1 3.285 3 3 -16.7971993671127 5063932 C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)NC2=S 1 3.692 3 3 -14.5100539954428 5063907 CCOCCCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)Cl 1 6.68 4 2 -15.6128809159193 5063859 C1COCCN1CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl 1 3.41 3 2 -8.15094533685878 5063856 CCC(C)SC1=NN=C(O1)CSC2=NN3C(=CC(=NC3=N2)C)C 1 3.353 6 1 0 -17.4599106332647 5063824 CCCCNC(=S)NN=CC1=CC(=C(C=C1)OCC(=O)NC2=C(C=C(C=C2C)C)C)OC 1 5.622 4 3 0 -20.6984816977544 5063823 CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=C(C(=C(S4)C)C)C(=O)N3)[N+](=O)[O-] 1 3.911 4 5 0 -15.3994724121207 5063817 CC1=CC(=NN1CC2=CC=C(O2)C(=O)NC3=CC(=CC=C3)Br)C 1 3.497 3 2 -8.64097484192034 5063722 CC1CCCCN1C(=S)NC2=CC=C(C=C2)OC(F)F 1 5.148 2 1 -6.79649658233918 5063650 CC1CN(CC(O1)C)CC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C 1 2.857 5 3 0 -15.2103746636902 5063649 CC1=NN2C(=C(SC2=N1)C(C3=CC(=C(C=C3)OC)OC)N4CCN(CC4)CCO)O 1 1.865 5 4 0 -3.69940023986426 5063644 C1COCCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br 1 3.808 3 2 -8.12534425237251 5063625 CN1CCCC1CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.18 2 2 -3.1672107159824 5063592 CSC1=CC=CC=C1NC(=S)NC2CCCCC2 1 4.912 2 0 -12.048669684932 5063392 CC1CC(NC(=S)N1CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)(C)C 1 3.161 4 2 -8.76044117451597 5063389 CC1CC(NC(=S)N1CCC(=O)N2CCN(CC2)CC3=CC=CC=C3)(C)C 1 3.089 4 1 -8.78448469361596 5063387 CC1CC(NC(=S)N1CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)(C)C 1 2.917 4 2 -12.0621574961685 5063380 CC1CC(NC(=S)N1CCC(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)(C)C 1 4.15 4 1 -5.07446087514695 5063378 CC1CC(NC(=S)N1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)(C)C 1 3.177 4 1 -8.60877816051406 5063377 CC1CC(NC(=S)N1CCC(=O)NCCC2=CC=C(C=C2)Cl)(C)C 1 3.911 3 1 -12.8915543136805 5063295 COC1=CC(=CC(=C1OC)OC)C(=O)NCCCCCCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.351 2 8 0 -12.8317896573872 5063213 CC1CC(NC(=S)N1CCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC)(C)C 1 3.528 4 2 -9.62694152184647 5063166 COC1=C(C=C(C=C1)C(=O)N2CCN=C2SCC3=CN=CC=C3)OC 1 2.708 3 3 -16.9262635995508 5063119 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CSC(=C2)C(C)C 1 2.713 2 2 -3.56968739502973 5062929 CN1C2=CC=CC=C2N=C1C(C(C3=CC=CC=C3)O)O 1 2.348 2 2 -1.79339887062293 5062924 CCOC(=O)C1CC2CC(C1)CN(C2)C(=O)C3CCCCC3 1 3.105 1 3 -7.5690917941421 5062886 C1CCCC(CC1)NC(=O)COC(=O)C2=CC=CNC2=O 1 0.866 2 4 0 -15.6337678633623 5062819 CC1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NON=C32)C 1 2.072 3 3 -12.510156491976 5062721 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 3.115 4 2 -19.6619202272887 5062711 CC1=NN2C(=C(SC2=N1)C(C3=CC=CO3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)O 1 5.028 5 2 0 -6.58621541222488 5062709 CC1=NN2C(=C(SC2=N1)C(C3=CC=CO3)N4CCN(CC4)C5=CC=CC=C5)O 1 3.504 5 2 0 -1.5392693078131 5062705 CC1=NN2C(=C(SC2=N1)C(C3=CC=CO3)N4CCC(CC4)CC5=CC=CC=C5)O 1 4.532 4 2 -0.587350340865052 5062678 CC(=NNC(=O)C1CC1)C2=CC=C(C=C2)Cl 1 2.421 2 1 -6.30415704031303 5062560 CC1CCN(CC1)C(C2=CC=CO2)C3=C(N4C(=NC(=N4)C)S3)O 1 3.044 4 2 -7.18115496645968 5062548 CCOC1=C(C=CC(=C1)C=NNC(=O)C2C(CNC2=O)C3=CC=CC=C3)OC 1 2.126 3 4 0 -14.8006095942271 5062503 CCN(CC)C1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 3.626 4 4 0 -8.78532239010617 5062450 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC(=CC=C4)S(=O)(=O)N5CCCC5 1 3.837 5 4 0 -11.0295387953923 5062436 COC1=CC=CC=C1CN2C=CC=C2C=O 1 2.747 1 2 -2.56435777438088 5062410 CC1=C(C=C(N1CCC(=O)NC(C)(C)C)C2=CC=C(C=C2)F)C(=O)C 1 3.269 2 2 -12.387368805355 5062400 CCC(C)NC(=O)CCN1C(=C(C=C1C2=CC=C(C=C2)F)C(=O)C)C 1 3.588 2 2 -16.5678175850154 5062345 CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)N4CC(CC(C4)C)C 1 1.744 3 4 0 -22.6852242227914 5062337 CN1C=CC=C1CNC(=S)NC2=CC=CC=C2Cl 1 4.137 3 0 -8.42612123360724 5062296 CC(=NNC(=S)NC1CCCCC1)C2=C(C=C(C=C2)OC(F)F)OC(F)F 1 5.681 3 2 -7.38058760073697 5062286 C1CCC(=NNC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F)CC1 1 4.181 2 2 -8.13388672494195 5062281 C1CCC(C1)(CC(=O)NC2=CC=CC=C2Br)CC(=O)O 1 2.999 1 3 -6.08278511020494 5062275 CC1=CC=C(C=C1)N2C(C(C2=O)(F)F)C3=CC=CC=C3 1 3.645 1 1 -0.886923116107863 5062175 C1CN(CCN1CC2=CC(=CC=C2)F)CC(=O)NC3=CC=CC=C3F 1 2.908 3 1 -1.79839890285595 5062173 C1CN(CCN1CC2=CC=C(C=C2)F)CC(=O)NC3=CC=CC=C3F 1 2.908 3 1 -2.43190672160095 5062142 CCC(=NNC(=O)COC1=CC=C(C=C1)Br)C2=CC(=C(C=C2)OC)OC 1 3.881 2 4 -9.89724364540076 5062118 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=C(C=C3)OCC(=O)O)NC4=CC=CC=C4 1 3.327 7 3 0 -9.0009992255054 5062043 COC1=CC=CC=C1N2C(=C(SC2=S)C(=O)OC)N 1 2.947 2 3 -6.92300680784021 5062040 CC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CCN5CCCC5C4 1 4.196 5 1 -6.22020097487718 5062038 C1CN(CCN1CC(=O)N)S(=O)(=O)C2=CC=C(C=C2)Cl 1 0.422 3 3 0 -15.7681021082216 5061954 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=NS3)C4=CC=CC=C4Cl 1 3.937 3 3 -12.7498352828436 5061890 COCCCNC=C1C(=O)CC(CC1=O)C2=CC=CC=C2 1 0.926 1 3 0 -14.6607075321644 5061790 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)C(C)(C)C 1 3.087 4 4 0 -9.34288586438503 5061766 CC1=CC=C(S1)C=NNC(=O)C(C)OC2=CC=CC=C2[N+](=O)[O-] 1 2.996 3 4 0 -8.26222010226872 5061648 CCN(CC)C1=CC=C(C=C1)C=NOC(C)C(=O)NC2=CC=C(C=C2)C 1 4.162 3 2 -11.2453752386601 5061509 CC1=CC(=CC=C1)CSC2=NCCN2C(=O)C3=CC=CO3 1 3.773 2 2 -9.57405909839117 5061481 CC(C)OC(=O)CN1CCN(CC1)C2=CC=C(C=C2)Cl 1 3.047 2 2 -1.57836204910472 5061473 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)Cl 1 2.42 4 2 -1.00761577235435 5061463 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)NCCCl)C 1 1.912 3 3 0 -16.0991520145763 5061458 CC1CC(CN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3)C 1 0.962 3 4 0 -19.5194747048832 5061398 CCC(C)NC(=O)CN1C(=C(C=C1C2=CC=C(C=C2)F)C(=O)OCC)C 1 3.804 2 3 -14.6491168004045 5061395 CCCNC(=O)CN1C(=C(C=C1C2=CC=C(C=C2)F)C(=O)OCC)C 1 3.426 2 3 -13.6603757360485 5061378 C1=CC=C2C(=C1)C(=NC(=S)N2)NCC3=CC(=CC=C3)Cl 1 4.444 3 0 -2.05308386025008 5061377 COC(=O)C1=C2CCCC2=NC3=CC=CC=C31 1 2.935 1 2 -3.62099332118643 5061369 CCCCNC(=S)NNC(=O)C1=CSC(=C1)C(C)C 1 3.685 3 1 -13.7113992894441 5061257 COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)NC2=S 1 2.806 4 4 0 -15.6238097497281 5061213 CCCCNC(=S)N(C)N=CC1=CC(=C(C=C1)OCC(=O)NC2=C(C=C(C=C2C)C)C)OC 1 5.828 4 3 0 -18.3081028501088 5061203 COCCNC(=O)C1=CC(=C(C=C1)N2CC3CC(C2)C4=CC=CC(=O)N4C3)NC(=O)C5=CC=C(O5)Br 1 1.695 4 5 0 -17.7369166436872 5061091 COCCNC(=O)C1=CC(=C(C=C1)N2CC3CC(C2)C4=CC=CC(=O)N4C3)NC(=O)C5=CC=C(C=C5)F 1 1.938 4 4 0 -16.1684700339617 5061089 COCCNC(=O)C1=CC(=C(C=C1)N2CC3CC(C2)C4=CC=CC(=O)N4C3)NC(=O)C5=CC(=CC(=C5)OC)OC 1 1.699 4 6 0 -19.8167633871123 5060960 CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 3.252 3 5 0 -34.7407462999754 5060907 CC1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C 1 2.63 3 2 -12.9448664472115 5060902 CC1CCCC(C1C)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.298 3 2 -9.66740749496049 5060885 CCC1=CC=C(C=C1)C(=O)NNC(=O)OC 1 1.792 2 3 0 -7.44536359788711 5060860 CC1CC1C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3 1 4.036 3 3 -2.81815878908888 5060830 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C4CS(=O)(=O)CC4=NN3C5=CC=C(C=C5)F 1 1.477 4 6 0 -21.3178130076508 5060750 CC1=C(SC=C1)C=NNC(=O)CNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C 1 2.563 4 4 0 -14.2811632434319 5060749 CC1=CC=C(O1)C=NNC(=O)CNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C 1 1.664 4 5 0 -15.0041623782292 5060746 CC1=C(C=C(C=C1)C(=O)NCC(=O)NN=CC2=C(C=CS2)C)[N+](=O)[O-] 1 2.563 4 4 0 -15.990967396334 5060603 CC12CCC3C1(COC2(C3)C(=O)NC4=CC5=CC=CC=C5C=C4)C 1 3.265 1 2 -2.92662317764884 5060576 CCC1CCCCN1CCCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 0.725 4 5 0 -21.8392204336396 5060571 C1CCC(C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.443 2 6 0 -28.0313250776151 5060481 CC(C)NC(=S)NC1=CC=CC2=C1C=CN=C2 1 2.996 3 0 -9.9016535174829 5060478 CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)CC4=CC(=O)NC(=O)N4 1 2.077 6 3 0 -21.969114530992 5060477 C1CN(CCC1CC2=CC=CC=C2)C(C3=CC=CO3)C4=C(N5C(=NC=N5)S4)O 1 4.577 4 2 -2.99742606537283 5060463 C1CC(CNC1)CCC(=O)C2=CC=CC=C2 1 2.429 1 1 -8.864132008278 5060417 CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=CC=CC=C4O3)Cl 1 4.285 2 3 2.53642897510682 5060415 CCCCN1C2=C(C(=O)CC(C2)(C)C)C(C1=O)(C(F)(F)F)NC(=O)C3CC3 1 2.61 2 3 -15.8897031082536 5060393 CC1CCN(CC1)C(=O)CCNC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCCC4 1 1.868 4 3 0 -34.3515664640831 5060259 C1=CC=C(C=C1)C2=CC(=NNC2=O)C3=CC=CC=C3 1 2.926 2 1 -2.17152662915852 5060240 CC(=O)CC(CC(=O)NC1CCCCC1)C2=CC=CC=C2 1 2.918 1 2 -11.1653183907865 5060198 CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)C 1 2.909 2 3 -9.62431961452251 5060029 CC(CCC1=CC=CC=C1)NC(=O)CSC2=CC=CC=N2 1 3.558 2 1 -14.6234564772269 5059962 CC1=NSC(=C1C#N)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.572 4 2 -5.92671868581643 5059869 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=C(C=C3)F 1 2.891 2 6 0 -10.3698507112746 5059840 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C(F)(F)F 1 2.363 5 3 0 -14.2949695831069 5059818 CCN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=C(C=C(C=C2[N+](=O)[O-])C)C 1 4.587 5 3 0 -7.76179369988955 5059458 CC1=C(SC(=C1C(=O)OC)NC(=O)OC)C(=O)N(C)C 1 1.427 2 5 0 -16.0430540823768 5059372 CC(=NNC(=O)CN(C1=CC=CC=C1Br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l 1 4.731 2 1 -3.95767031517796 5058797 CC1=CC(=C(C(=C1)C)NC(=O)C2CCCO2)C 1 2.741 1 2 -13.3564131584628 5058791 CC(C)C1=C(N=C(NC1=O)SCC(=O)N2CCCCC2)O 1 2.231 3 3 -17.9170807032313 5058790 CCCC1=C(N=C(NC1=O)SCC(=O)NCC2=CC=CO2)O 1 2.077 3 4 0 -22.1481551996882 5058764 C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 4.687 3 2 2.00527041121844 5058762 CC(=O)NC1=CC2=C(C=CC3=CC=CC=C32)OC1=O 1 1.632 1 3 0 -5.21066734689142 5058688 COC1=C(C=CC(=C1)C=NN2CCOCC2)OCC3=CC=C(C=C3)Cl 1 3.466 2 3 -3.20916782264201 5058627 C1C(=O)N(C(S1)C2=CC=CC=C2[N+](=O)[O-])CCC3=CC=CC=C3 1 3.461 2 3 -11.4498568539146 5058620 C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CC(=CC=C4)F 1 3.53 4 3 0 -22.5714422689863 5058601 C1=CC=C(C=C1)C(=NNC(=O)C2=CC=C(C=C2)O)C3=CN=CC=C3 1 2.935 3 2 -6.44818656917394 5058585 C1=CC=NC(=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-] 1 3.05 3 3 -0.770858922546054 5058559 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)C 1 1.914 2 5 0 -22.7103334394391 5058439 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=CS2)C3=CC=CC4=C3N=CC=C4 1 3.854 4 3 0 -16.3277371777138 5058435 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CC5=CC=C(C=C5)F 1 3.496 6 2 0 -9.88695485992148 5058434 CC1=NN2C(=C(SC2=N1)C(C3=CC(=C(C=C3)OC)OC)N4CCC(CC4)C(=O)OC)O 1 2.774 4 5 0 -8.32457241413874 5058430 C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3 1 2.526 4 3 0 -19.9639603285817 5058401 CC1=CC=C(C=C1)C2C3=C(C(=O)N2CCCN4CCOCC4)OC5=C(C3=O)C=C(C=C5)C 1 3.219 2 4 -9.76316356693216 5058399 CC1=CC2=C(C=C1)OC3=C(C2=O)C(N(C3=O)CCCN4CCOCC4)C5=CC=C(C=C5)F 1 2.938 2 4 -8.40487184925701 5058371 CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC(=CC=C3)Br 1 4.585 3 2 -10.2738636451288 5058332 CCCCC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)F 1 3.366 2 2 -20.7019243449455 5058291 CC1=C(SC(=N1)N)C(=NNC(=O)C2=C(N=C(S2)NS(=O)(=O)C3=CC=CC=C3)C)C 1 1.547 6 3 0 -7.79889362672657 5058268 CCOC1=C(C=C(C=C1)C=NNC2=NC(=NC(=N2)N3CCCC3)N4CCCC4)OC 1 2.812 7 2 0 -7.36794019866517 5058219 CN(CCCNC(=O)C1CCC(=O)N1CC2=CC=CC=C2Cl)C3=CC=CC=C3 1 3.151 3 2 -12.6308724382674 5058217 CC(C1=CC=CC=C1)NC(=O)C2CCC(=O)N2CC3=CC=CC=C3Cl 1 3.239 2 2 -11.6651185185574 5058057 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N3CCCC4=CC=CC=C43)CCOC 1 2.572 3 3 -21.5926549762842 5058055 CCCC(=O)NC1=NN=C(O1)C2=CC3=C(C=C2)OCCO3 1 1.7 3 4 0 -9.67885468736376 5058045 CCCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=NN=C(N3C)COC4=CC=CC=C4C 1 4.922 6 3 0 -23.8989000535122 5058035 CC(=NNC(=O)CC1=CSC(=N1)N2CCOCC2)C3=CC(=C(C=C3)Cl)Cl 1 2.683 4 2 -6.4242206251445 5057975 CC1CN(CC(O1)C)C(=O)C2=NN(C=C2)C 1 0.765 3 2 0 -12.932399943581 5057951 C1C2CC3CC1CC(C2)(C3)C(=O)N(C4=CC=CC=N4)C5=CC=CC=N5 1 4.065 3 1 -2.33764364862791 5057822 CC1=CC=C(C=C1)S(=O)(=O)N(C)CN=C(N)N[N+](=O)[O-] 1 2.66 5 4 0 -7.72436310291703 5057821 C=CCNC1=NC(=NC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])N3CCCC3 1 2.272 7 2 0 -7.07188766243978 5057818 CC(C)(C)C1=NC2=C(C=C(C=C2C(=O)O1)Br)Br 1 4.519 1 2 1.68515508538471 5057814 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC(=CC=C3)OC 1 2.674 3 4 0 -6.77581094693184 5057792 CC(C1=NC2=CC=CC=C2N1CCCCOC3=CC=CC=C3OC)O 1 3.882 2 3 -7.1729238111414 5057614 CCOC(CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NOC(=C3)C)OCC 1 2.647 4 5 0 -29.3018277658268 5057585 COC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)N3C(=O)C4C5CC(C4C3=O)C(C5Br)Br 1 4.176 1 5 -9.73816378675393 5057534 C1=CC=NC(=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)Br 1 2.481 4 2 -4.82801377870489 5057529 CCC(C)NC(=O)C1=CC(=C(C=C1)N2CC3CC(C2)C4=CC=CC(=O)N4C3)NC(=O)C5=CC=C(O5)Br 1 3.076 4 4 0 -19.9232661594186 5057513 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3C(=O)O 1 3.172 2 4 -2.00350333317137 5057434 C1=CC(=CC(=C1)Cl)CSCCC(=O)NCC2=CC=CS2 1 3.674 1 1 -14.8948047846623 5057326 CCCOC1=CC=C(C=C1)C(=O)NC(C)C(=O)O 1 1.859 1 4 0 -12.4666413375132 5057319 CC1CCCC(N1N=CC2=CC=C(C=C2)[N+](=O)[O-])C 1 3.13 3 2 -3.10712881896323 5057311 COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)NC(=O)C6=CC=NC=C6 1 2.273 5 4 0 -13.196540487208 5057310 COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)NC(=O)C6=CN=CC=C6 1 2.273 5 4 0 -14.4623776872781 5057302 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CN=C(C=C2)Cl 1 1.116 2 4 0 -16.6533964526454 5057277 COC1=CC(=C(C=C1)CNC(=O)CCSCC2=CC(=CC=C2)Cl)OC 1 3.901 1 3 -13.260652176702 5057221 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=CC=C4 1 2.772 5 3 0 -25.8454056351 5057209 CCC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=CO4 1 2.853 2 3 -30.3862129660475 5057199 CC(C)NC(=O)C1CC(=O)N(C1)C(C)C2=CC=CC=C2 1 1.42 2 2 0 -14.8746545674352 5057198 C1CCN(CC1)C(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 1.836 3 2 0 -6.54365803102892 5057169 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCC4(CC3)OCCO4)C(=O)NCC=C 1 1.917 2 6 0 -17.928653737914 5057133 CC1=C(SC2=C1C(=O)N(C(=O)N2CC(=O)NCC3CCCO3)C4=CC(=CC=C4)OC)C(=O)N(C)C 1 1.933 4 6 0 -23.549002315298 5057131 CC1=C(SC2=C1C(=O)N(C(=O)N2CC(=O)NCCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OC)C(=O)N(C)C 1 3.446 4 7 0 -22.7566717636378 5057126 CCOC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC(=O)NC4=CC=CC=C4F)SC(=C3C)C(=O)N(C)C 1 3.705 4 5 0 -17.1944257482504 5057113 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C)[N+](=O)[O-] 1 2.459 3 6 0 -15.2719219809087 5057111 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC=CC=C3Br 1 3.639 1 4 -18.8213089463652 5057095 CC1=CC=C(S1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)C 1 1.704 2 5 0 -17.7085418505885 5057093 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CCC(=O)O 1 2.8 3 4 0 -20.1349019621975 5057083 CCC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=CC=C4 1 3.564 2 2 -28.7656621690607 5056985 CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)CC4=CC(=O)NC(=O)N4 1 1.826 6 4 0 -27.3947302417869 5056984 CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 1.903 2 7 0 -23.9364264701716 5056955 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3CCCCC3)SCC(=O)N4CCC5=CC=CC=C54 1 4.227 5 3 0 -28.671867297433 5056889 COC1=CC2=C(C=C1)C(=O)NC(O2)(C3=CC=CC=C3)C(F)(F)F 1 3.592 1 3 -1.77851094670107 5056828 C1=CC2=C(C(=C1)S(=O)(=O)NCCO)N=CC=C2 1 0.387 2 3 0 -9.3109591241527 5056794 CCOC(=O)C1=C(CC(=NNC(=O)C2=CC=CC=C2O)CC1)C 1 2.332 2 4 -4.01809639108339 5056776 CN1C=CC=C1CNC(=S)NC2=CC=CC=C2F 1 3.678 3 0 -9.68163665204706 5056774 CC1CCN(CC1)C(=O)CNS(=O)(=O)C2=CC=C(S2)Br 1 1.53 2 3 0 -13.7664959813334 5056765 CCOC1=CC=C(C=C1)NC(=S)NC(C)CCC2=CC=CC=C2 1 5.583 2 1 -8.84053780073135 5056653 CC1=CC(=C(C=C1)C)CSC2=NCCN2C(=O)C3=CC=CS3 1 4.817 2 1 -13.7921159451061 5056585 C1CN(CCN1CC(=O)C2=CC(=C(C=C2)O)O)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.34 2 5 0 -9.29828909024157 5056560 CN1C=CC=C1CNC(=S)NC2=CC=C(C=C2)OC 1 3.456 3 1 -9.74679732712186 5056559 CCC1CCCCN1CCN2C(=O)C3=CC(=C(C=C3NC2=S)OCC)OCC 1 4.764 3 3 -8.03337686283067 5056537 C1=CC(=C(C=C1Cl)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])O 1 1.839 5 4 0 -7.20283363907669 5056535 C1=CC(=C(C=C1Cl)Cl)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-] 1 2.745 5 3 0 -10.5320584609775 5056533 C1=CC(=C(C(=C1)Cl)Cl)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-] 1 2.745 5 3 0 -12.451612999675 5056532 C1=CC(=CC=C1NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])Cl 1 2.081 5 3 0 -10.5425793308338 5056531 CC1=C(C(=NN1CCCC(=O)NCC2=CC=C(C=C2)F)C)[N+](=O)[O-] 1 2.22 4 3 0 -16.164333253653 5056530 CC1=C(C(=NN1CCCC(=O)NCC2=CC=C(C=C2)OC)C)[N+](=O)[O-] 1 1.998 4 4 0 -17.2891764882624 5056456 C1COC(=O)C1C(=O)NC2=CC=CC=C2 1 1.037 1 3 0 -4.2947874160105 5056435 CCN(CC)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3 1 2.834 5 1 -7.15488253511176 5056423 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)F 1 3.136 3 7 0 -11.917066167188 5056326 C1C=CC2C1CC2=NNC3=CC=C(C=C3)[N+](=O)[O-] 1 2.51 3 2 -1.72876432656871 5056270 C1C(OC2=CC=CC=C2O1)C(=O)NC3=NC(=CS3)C4=CC=NC=C4 1 2.181 3 3 1.06466639323892 5056165 CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3)C 1 5.303 2 3 -1.41473403256405 5056122 COC1=CC=C(C=C1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O 1 3.699 3 3 -8.29094086420405 5056080 CC1=C(C(=NN1C)C)NC2=C(C=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5)[N+](=O)[O-] 1 2.209 5 4 0 0.180820237081847 5055981 C1CCC(=CC1)CCNC(=O)NC23CC4CC(C2)CC(C4)C3 1 3.84 2 1 -12.2750412696401 5055867 C1CN(C(=N1)SCC2=CC(=CC=C2)F)C(=O)CC3=CC=CS3 1 4.085 2 1 -12.9443980241764 5055844 CCOC(=O)C1=CC(=C(C=C1)N2C=CN=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C 1 3.889 3 3 -9.24939215023551 5055780 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 1 3.576 3 6 0 -18.8879014220793 5055739 CC1=CC(=NN1CCCC(=O)NC2CCCCC2)[N+](=O)[O-] 1 2.546 4 3 0 -19.3129628412834 5055645 CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3COC4=CC=CC=C4O3 1 1.515 2 6 0 -15.9181312520469 5055611 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=CC=CC=N3 1 1.958 4 2 0 -5.9003380398082 5055605 COC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)Cl 1 2.622 4 2 -3.03502515265679 5055591 CC1=NC2=C(C=C1)C(=O)CC(C2)(C)C 1 1.948 1 1 0 -7.66457770852167 5055551 C1=CC=C(C=C1)CCNC(=O)CCSCC2=CC(=CC=C2)F 1 3.796 1 1 -12.959829012397 5055528 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4OC)SCC3 1 3.353 3 5 0 -22.3260319034245 5055510 C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)O 1 2.891 2 4 -12.2896082444468 5055465 CC1=NN(C(C1)(C(OC(F)(F)F)(F)F)O)C(=O)C2=CC=C(C=C2)C 1 4.244 2 3 -2.36229219808075 5055290 CC1CCCN(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 0.144 4 5 0 -20.456986137837 5055254 CCCCSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4 1 5.271 4 1 -17.6700079346709 5055245 COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CS4)OC 1 4.163 3 4 0 -23.5638422284689 5055219 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=C(C=C4)C)C5=CC=CC=C5)C(=O)CCC(=O)O 1 5.743 4 3 0 -5.2334865989164 5055156 C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4NC3=S 1 3.037 4 2 -7.32528308596828 5055133 CC(C(=O)NN=CC1=CC=C(S1)[N+](=O)[O-])NC2=CC=C(C=C2)OC 1 2.783 4 4 0 -4.26897340274258 5055100 CCOC(=O)C1=C(N=C2N(C1C3=C(C=C(C=C3)OC)OC)C(=O)C(=CC4=CC=C(C=C4)C(=O)O)S2)C 1 4.049 2 7 0 -29.0810588259748 5054993 CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-] 1 3.841 3 5 0 -6.05111819312764 5054976 CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NNC(=O)CCC(=O)O 1 2.263 2 4 -18.7853074211433 5054948 CN1C=CC=C1CC(=O)NN=CC2=C3C=CC=CC3=CC4=CC=CC=C42 1 4.126 3 1 -4.82215820716615 5054860 COC1=CC=CC(=C1)C(=O)NCC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N 1 -0.51 7 5 0 -11.6187828925237 5054729 COC1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)OC 1 4.128 3 3 -17.5183745932094 5054737 COC1=CC=C(C=C1)C2N(CCS2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.337 2 4 -13.9456907787052 5054736 C1CSC(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 1 3.354 2 3 -13.9850782538213 5054669 CC1CN(CC(O1)C)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.068 3 6 0 -18.647364117154 5054617 CCOC1=CC2=C(C=C1)N(C(=N2)NCCCO)CC3=CC=CC=C3 1 2.868 3 2 -3.94321877426091 5054616 COC1=CC2=C(C=C1)N(C(=N2)NCCCO)CC3=CC=CC=C3 1 2.519 3 2 -2.84411610458854 5054590 C1=CC(=CN=C1)NC(=O)C2=NOC(=C2)C3=CC(=C(C=C3)Cl)Cl 1 3.485 3 2 -1.53847372700822 5054584 C1COCCN1C(=O)C2=NOC(=C2)C3=CC(=C(C=C3)Cl)Cl 1 2.952 2 3 -2.9347845219871 5054569 CCC(C(=O)NCCOC)SC1=NC2=CC3=C(C=C2C(=O)N1CC4=CC=CO4)OCO3 1 2.706 3 6 0 -23.6715304415246 5054557 COC1=CC=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4 1 4.386 1 4 -7.0576963618919 5054519 CC1CC(CN(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)OC)C 1 3.715 3 3 -12.9310549580155 5054449 CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)NCC2CCCO2 1 1.963 2 4 0 -21.6724820436654 5054442 C1=CC(=C[N+](=C1)CCCCS(=O)(=O)[O-])CNC(=O)C2=CC=C(C=C2)OC(F)F 1 0.834 2 5 0 -7.50654887752162 5054376 CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=CC4=C(C=C3C(=O)N2CC5=CC=CO5)OCO4 1 5.356 3 5 0 -18.7012425908702 5054356 C1CCCN(CC1)C(=O)C2=NOC(=C2)C3=CC(=C(C=C3)Cl)Cl 1 4.638 2 2 -1.36648807221151 5054328 CN1C=C(C2=CC=CC=C21)SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.282 2 3 -13.2422233808304 5054323 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCCO 1 -0.14 3 6 0 -13.240832970748 5054321 CC1=CC(=NN1CCCC(=O)NC2=CC=CC=C2C(=O)OC)[N+](=O)[O-] 1 2.12 4 5 0 -23.0285528087353 5054316 CC1=C(C(=NN1CCCC(=O)NC2=CN=CC=C2)[N+](=O)[O-])Cl 1 1.778 5 3 0 -12.3703566883648 5054315 CC1=C(C(=NN1CCCC(=O)NC2=CC(=CC=C2)O)[N+](=O)[O-])Cl 1 2.687 4 4 0 -9.24184971273734 5054274 CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)N4CCOCC4 1 2.7 3 3 -17.2467339914948 5054205 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=C(C=C4)Br 1 3.064 5 3 0 -24.8642949803043 5054166 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(O3)CSCC4=CC=CC=C4Cl 1 4.659 1 4 -12.5218496773435 5054137 CC1=C(C=CC=C1Cl)NC(=S)N2CC3CC(C2)C4=CC=CC(=O)N4C3 1 4.077 3 1 -8.84287170895816 5054112 CC(=O)N1CCN=C1SCC2=CC=CC=C2Cl 1 2.892 2 1 -12.0669854837179 5054022 CC(C(=O)N1C(CC(=N1)C(F)F)(C(F)F)O)N2C=C(C(=N2)OC)[N+](=O)[O-] 1 1.284 5 5 0 -5.94974643973022 5054008 CCN1C=C(C(=N1)C(=O)N2C(CC(=N2)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5O)[N+](=O)[O-] 1 4.404 5 4 0 -3.35636163363067 5053991 CCOC(=O)C1=CC=C(C=C1)CNCC2=CC=CC=C2 1 3.155 1 2 -3.76009359947258 5053921 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N2CCCN(CC2)C(=O)C(C)OC3=C(C=C(C=C3)Cl)C 1 5.127 2 4 -6.75927433294688 5053865 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)Cl 1 3.654 2 2 -4.69386971680453 5053814 CC1CC(CN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N(C)CCO)C 1 2.634 5 4 0 -1.53173915143787 5053809 CCCCNC(=O)CSC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.839 3 3 -15.5677001721171 5053806 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=C(C(=NN2C)C)Br 1 1.748 4 2 0 -2.02239164652233 5053731 C1=CC=C(C(=C1)CSCCC(=O)NCC2=CN=CC=C2)F 1 2.325 2 1 -17.2432328433608 5053730 COC1=CC=CC(=C1)CNC(=O)CCSCC2=CC=CC=C2F 1 3.459 1 2 -15.1420707937011 5053729 COC1=C(C=C(C=C1)CCNC(=O)CCSCC2=CC=CC=C2F)OC 1 3.764 1 3 -18.4424766420741 5053728 COC1=CC=CC=C1N2CCN(CC2)C(=O)CCSCC3=CC=CC=C3F 1 3.711 2 2 -9.70663928178477 5053726 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCSCC3=CC=CC=C3F 1 3.711 2 2 -6.71187286984647 5053724 CC(C1=CC=CC=C1)NC(=O)CCSCC2=CC=CC=C2F 1 3.853 1 1 -16.6538521460015 5053625 CCSC1=NN=C(S1)NC(=O)CSC2=NCCS2 1 2.402 4 1 -22.9554545216243 5053621 CCOC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)OC 1 2.782 3 5 0 -12.5813894080058 5053620 CC1=CC(=NC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.373 3 3 0 -6.0078188542267 5053617 CC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 2.491 3 3 -6.14514604326699 5053604 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=CC(=C3)C 1 3.632 3 2 -4.41696062380031e-002 5053576 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCSCC3=CC=CC=C3F 1 3.711 2 2 -7.75722837029832 5053574 COC1=C(C(=CC=C1)OC)CNC(=O)CCSCC2=CC=CC=C2F 1 3.442 1 3 -14.5531454420544 5053568 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=CC=C3 1 1.812 2 4 0 -21.2282834584066 5053511 CCOC1=C(C(=C(C(=C1)C2C(=C(OC(=C2C(=O)C)C)N)C#N)Br)Br)OC(C)C 1 4.029 2 4 -15.9829673165888 5053480 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br 1 2.731 3 2 -14.2736252096427 5053474 CC(C1=CC=CC=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 2.674 3 2 -9.65120536428551 5053439 COC(CNC(=O)C1=CN2C(=NC3=CC=CC=C3C2=O)C=C1)OC 1 0.443 3 4 0 -20.0667480589154 5053355 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 3.443 3 3 -15.5457285776072 5053348 C1CC(OC1)CNC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 1.072 3 3 0 -13.7351701818766 5053346 CCC1=CC=C(C=C1)CNC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 3.239 3 2 -9.80838526314265 5053337 C1COCCN1C(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 0.606 3 3 0 -8.11195448080451 5053335 CCC(CC)C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C2=CC=CC=C2 1 3.392 2 5 0 -17.0193257742934 5053118 CC1(CCC(=O)N1CC2=CC=CS2)C(=O)NC3CCCCCCC3 1 3.436 2 2 -10.1649598160211 5053070 CC1=C(C=C2C(=C1)C(=O)C3=C(O2)C(=O)N(C3C4=CC(=CC=C4)OC)CCCN(C)C)C 1 3.515 2 4 -5.59103269890507 5053014 C1=CC=C2C(=C1)NC(=N2)NN=CC3=CC(=CC=C3)F 1 3.074 4 0 6.49443968687172 5052954 COCCCNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 -0.82 3 6 0 -33.3718928463768 5052952 CC(C)NC(=O)C1=NOC(=C1)C2=CC3=C(C=C2)OCO3 1 2.224 2 4 -10.6210408461068 5052550 CCC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)OC)OC)OC 1 3.516 1 5 -15.6296794386283 5052536 C1CN(CCN1C2=CC(=C3C4=C(C5=CC=CC=C5C3=O)ON=C24)NCCCC(=O)O)C(=O)C6=CC=CO6 1 3.303 4 6 0 -8.2918328216885 5052428 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC(=CC(=C3)OC)OC 1 1.398 3 7 0 -23.6032142914956 5052359 CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=C(C(=CC=C4)OC)OC 1 4.572 2 4 -11.3329879389623 5052339 C1CN(C(C2=CC=CN21)C3=CN=CC=C3)C(=S)NC4=CC=CC=C4 1 4.396 4 0 -14.2636311958466 5052316 C1CN(CCN1CCC(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)F 1 2.199 3 3 -18.2295854001499 5052243 C1=CC(=C(N=C1)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.517 5 6 0 -7.46410514798599 5052216 CCC(C)(C1=NN=NN1C2=C(C=CC=C2C)C)N=CC3=CC=CC=C3 1 4.805 5 0 -5.62441543560826 5052213 CC1=CC=CC(=N1)C=NNC(=O)C(C)NC2=CC=CC3=CC=CC=C32 1 3.296 4 1 -6.00829232782527 5052070 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCCOC(=O)C3=CC(=CC(=C3)OC)OC 1 0.431 5 7 0 -32.3052607107259 5052067 CC1=C(C=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)NC(=O)C)C 1 4.753 1 4 -12.7174958668266 5052005 CC(C)C1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=NC=C4)S2 1 3.91 4 1 -5.1762244361944 5051913 C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)CSC4=NC(=O)C=C(N4)N)C5=CC=CC=C5 1 3.581 5 2 0 -11.2161841139496 5051818 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=COCCO3 1 1.439 2 5 0 -4.39801712184767 5051752 CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 2.121 3 4 0 -13.795080220268 5051744 C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NN=C(O3)CNC(=O)C4=CC=CO4 1 2.59 4 4 0 -18.8354611217659 5051727 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC3=NCCC3 1 0.301 4 3 0 -21.2702568302753 5051688 C1=CC=C(C(=C1)CSCCC(=O)NCC2=CC=C(C=C2)F)F 1 3.681 1 1 -14.4345502473494 5051686 CC1=CC=C(C=C1)CNC(=O)CCSCC2=CC=CC=C2F 1 3.961 1 1 -14.6229492164267 5051670 CCOCCCNC(=O)C1=CC(=O)N(C2=CC=CC=C21)CC3=CC=CC(=C3)C 1 2.976 2 3 -10.1664404192501 5051644 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCC2=CC=CC(=C2)C 1 2.449 2 3 -22.6067112082684 5051642 C1CN(CCN1C2=CC=C(C=C2)O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.938 3 3 7.04336159364363 5049435 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)CC3=CC(=C(C=C3)OC)OC 1 3.268 2 3 -14.5713709789665 5049245 C1CC2=CC=CC=C2C(=NNC(=O)COC3=C(C=C(C=C3)Cl)Cl)C1 1 4.609 2 2 -6.6345513109508 5049250 C1=CC=C(C=C1)NC(=S)NNC(=O)COC2=CC=CC3=C2N=CC=C3 1 3.295 4 2 -13.8091768737516 5049256 CC1=CC=CC=C1N(CC(=O)NN=CC2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3 1 4.217 3 2 -11.974687622294 5049283 CC(C)C1=CC=C(C=C1)NC(=S)NN=C(C)CC2=CC=C(C=C2)OC 1 5.269 3 1 -6.63760512203275 5049233 C=CCN1C(=O)C(SC1=NC2=CC=C(C=C2)C(=O)O)CC(=O)O 1 2.199 2 5 0 -14.0876409206263 5049207 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCOCC4)C 1 4.032 3 2 -8.28735878952228 5049164 C1=CC=C2C(=C1)C3=C(S2)C(=O)N(C(=N3)SCC(=O)NCC4=CC=CO4)CCO 1 2.675 3 4 0 -19.9307893790938 5049117 C1CCC(C1)CC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N 1 2.346 3 5 0 -12.7214392767526 5049049 CC1=CC=C(C=C1)S(=O)(=O)N=S(C)CC2CC2(Cl)Cl 1 2.892 1 2 0.112077768241077 5049047 CC1=C(C(=NN1C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3)C)Br 1 4.688 4 1 6.13877000926134 5048986 COC1=CC=C(C=C1)OCC(=O)N2C(CC(=N2)C(F)F)(C(F)F)O 1 1.7 2 4 0 -3.26586702090403 5048960 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])O 1 3.566 3 5 0 -3.96575843361812 5048894 CC1=NC2=C(N1C3=CC(=C(C(=C3)OC)OC)OC)C=CC(=C2)C(=O)O 1 2.969 2 5 0 -5.26811254643787 5048866 CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC=C(C=C2)Cl 1 3.614 2 3 2.97362870010681 5048792 C1=CC=C(C(=C1)C(=O)NC2=NC(=CS2)C3=CN=CC=C3)[N+](=O)[O-] 1 2.302 4 3 0 -6.30510221394828 5048787 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)CNC(=S)NC4=CC=CC=C4 1 5.772 3 0 -1.8648786101701 5048736 CC1=CC(=CC(=C1)N2C(=NC3=C2C=CC(=C3)C(=O)O)C)C 1 3.99 2 2 -1.14097576775313 5048732 CC1=NC2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)C(=O)O 1 3.002 2 3 -1.63755995965597 5048730 CCOC1=CC=CC=C1N2C(=NC3=C2C=CC(=C3)C(=O)O)C 1 3.351 2 3 -4.78324080330491 5048657 CCNC1=CC=C(C=C1)N=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 3.449 5 1 -8.62134537428306 5048581 CCC1CCCCN1C(=O)CSC2=NN3CCCC(=O)N=C3S2 1 3.206 4 2 -19.3519847829767 5048503 CCN1CCN(CC1)C(=O)C2=CC=C(O2)COC3=CC(=CC=C3)Cl 1 3.254 2 3 -4.14876164313821 5048498 CN(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-] 1 2.904 5 3 0 -14.8438264685434 5048463 C1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2[N+]4=CC=C(C=C4)C5=CC=NC=C5 1 4.512 5 2 0 -1.97475886716301 5048392 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 2.211 2 3 -12.3852367085523 5048348 CN1C(=C(C=N1)Br)C(=O)NC2=CC=CC=C2C(=O)OC 1 2.159 3 3 -11.0791513208531 5048220 CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NCCC3=CCCCC3)C4=CC=C(C=C4)Br)N 1 4.293 6 1 0 -18.1934478644056 5048152 CCC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)NCC(OC)OC 1 3.216 3 3 -8.91792969467066 5048149 CCC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)NCCCOCC 1 3.558 3 2 -9.79470775537589 5048144 CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)C(=O)N4CCC5=CC=CC=C54 1 4.679 3 1 -4.1531377628052 5048111 CCS(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 1.146 3 3 0 -15.5860245888944 5048043 CC1=NN(C=C1CN(C)C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4)C 1 4.641 4 1 1.70557580803402 5047755 C1=CC(=CC=C1CC(CO)NC(=O)C(Cl)Cl)[N+](=O)[O-] 1 1.857 2 4 0 -4.00092148473974 5047630 CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3)C4=CC5=C(C=C4)C=C(C=C5)OC 1 4.538 4 2 -6.10294172615305 5047589 CC1C2=CC(=C(C=C2CCN1CC3=C(C=CC(=C3)C=NNC(=O)C4=CC=C(C=C4)OC)OC)OC)OC 1 4.727 3 5 0 -19.5940520272408 5047585 CC1C2=CC(=C(C=C2CCN1CC3=C(C=CC(=C3)C=NNC(=O)C4=CC=C(C=C4)F)OC)OC)OC 1 4.949 3 4 0 -18.6379816415408 5047583 CCOC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)F)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 3.173 4 3 0 -8.12930813181175 5047557 CC1=CC(=C(S1)NC(=O)C2C3CCC(C2C(=O)O)C=C3)C(=O)OC 1 1.736 1 5 0 -5.0876092342117 5047501 CC1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)F 1 4.143 2 2 -17.4836548673351 5047491 CN1CCN(CC1)C(=O)C2=CC=C(O2)COC3=CC=CC=C3OC 1 2.225 2 4 -7.81477007652003 5047238 CC1=C(C(=NO1)C)S(=O)(=O)N(C)CC(=O)NC2=CC=C(C=C2)F 1 0.671 3 4 0 -10.0312857579456 5047107 CC1=NC=C(N=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3 1 1.298 3 3 0 -15.742783007378 5047011 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)C3=CC(=CC=C3)C(=O)N(C4CCCCC4)C5=CC=CC=N5 1 6.304 4 2 -7.52402796947352 5046980 CC1=C(C=C(C=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NCCC4=CCCCC4)C)N)Cl 1 4.696 6 1 0 -19.4255876487861 5046959 C1=CSC(=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)Br 1 2.61 4 3 0 -22.250096413277 5046947 CC(C(C)(C)C)NC(=S)NC1=C(C=CC=C1Br)OC(F)F 1 5.909 2 1 -6.43354419843761 5046881 C1CCC(CC1)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O 1 2.467 2 4 -5.86002004727954 5046872 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)C3=C(C=C(C=C3)F)Cl 1 4.937 2 1 -2.30246895913051 5046783 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NCC=C)C 1 1.124 1 3 0 -0.201477041434523 5046782 CCC(=O)OCC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-] 1 1.202 2 6 0 -10.5117644298951 5046669 CC1CC2=CC=CC=C2N1C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-] 1 3.79 3 3 -9.28951424322155 5046601 CCC(C)NC(=O)C1=CC2=C(S1)N=C3C=C(C=CC3=C2)OC 1 3.81 2 2 -9.2806114664058 5046402 C1=CC=NC(=C1)C=NNC(=O)CC2=CC=C(C=C2)F 1 2.201 3 1 -2.46490227979429 5046368 CC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)COC3=C(C=C(C=C3)F)F 1 3.765 3 4 0 -11.2297070221545 5046319 CCOCCCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl 1 1.906 3 3 0 -13.0589393607957 5046318 COCCCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl 1 1.557 3 3 0 -11.551027422066 5046316 CCCCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl 1 2.954 3 2 -10.2019889428426 5046315 CC(C1=CC=CC=C1)NC(=O)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl 1 3.586 3 2 -9.56379368657718 5046312 C1CN(CCC12OCCO2)C(=O)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Cl 1 1.896 3 4 0 -7.29267004545843 5046308 CC(C)CCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl 1 3.206 3 2 -11.7574731728921 5046235 CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=O)C3=CC(=CC=C3)O)OC)C)[N+](=O)[O-] 1 2.98 5 5 0 -9.08210256841605 5046232 CCOC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2Cl)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 3.632 4 3 0 -9.0123035254135 5046162 COC1=CC=CC=C1N2C(=CC(=O)N=C2SC)O 1 2.659 2 3 -6.09022388654319 5046151 CC1=CC2=C(N1C)C=CC(=C2)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.877 2 2 -2.41106983004919 5046062 CCN(CC)CCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl 1 2.462 4 2 -8.05728411427367 5046060 CCN(CC)CCCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl 1 2.524 4 2 -9.61532188962996 5046002 CCCCC(CC)CNC(=O)CN1C(=O)C2=C(NC1=S)N=CC=C2 1 3.607 4 2 -14.2843628046575 5045955 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCCCOC)C2=CC=C(C=C2)OC 1 2.062 2 5 0 -21.8206899008309 5045885 C1COC2=C(C=C(C(=C2)C(=O)O)Br)OC1 1 2.056 0 4 -2.801986052561 5045858 CC1=CC=CC=C1OCC(=O)NN=C2CCOC3=C2C=CC=C3C 1 3.389 2 3 -6.00177667470232 5045843 CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)O)N(C(=S)S3)C4=CC(=C(C=C4)C)C 1 6.932 3 3 -15.9844591557933 5045642 CCN1C(=O)C(=CC2=C(N(C3=CC=CC=C32)CC(=O)NCC4CCCO4)C)C(=O)N(C1=S)CC 1 2.936 4 4 0 -16.4113113439786 5045574 C1CC(=O)C(=C2SCCCS2)C(=O)C1 1 1.826 0 2 0 -7.29514691523935 5045548 CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC(CC3=C2C=CS3)C(=O)OC 1 2.576 2 4 -7.94258423701854 5045518 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C(=CC=C3)OC)OC2=NNS(=O)(=O)C4=CC(=C(C=C4)OC)OC 1 3.94 2 8 0 -9.43624125291973 5045498 CC1=CC2=CC=CC=C2N1CCNC(=O)C3CC3 1 2.425 2 1 -15.0087731837392 5045494 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.758 3 4 0 -12.4314872296864 5045462 CC1=CC=C(C=C1)NC(=S)N(CCOC)C(C)C2=CC=CO2 1 4.653 2 2 -9.15656237267777 5045424 C1COC2=C(O1)C=CC(=C2)NC(=O)CC3CS(=O)(=O)CC3CC(=O)NC4=CC5=C(C=C4)OCCO5 1 1.117 2 8 0 -12.8731206373337 5045378 C1=CSC(=C1)CNC(=O)CSCC2=CC=C(C=C2)F 1 2.967 1 1 -14.9115308001193 5045371 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.144 3 5 0 -12.5991450116388 5045370 C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)O 1 3.046 3 4 0 -6.99751642075374 5045364 CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN4CCCC(=O)N=C4S3 1 4.588 4 4 0 -26.8464750368352 5045238 COC1=CC=CC=C1OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=CO4)OC)OC 1 3.909 1 6 0 -16.7247106120522 5045199 C1COCCN1C(=O)CSCC2=CC=C(C=C2)F 1 1.537 1 2 0 -11.3628384020109 5045192 C1=CC(=CC=C1CNC(=O)CSCC2=CC=C(C=C2)F)F 1 3.433 1 1 -13.3062978782666 5045182 COC1=C(C=CC(=C1)C=NNC2=CC3=CC=CC=C3C=C2)OC(=O)C4=CC=CO4 1 5.167 2 4 -3.49638781651072 5045172 CCN1C=C(C(=N1)C(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5O)Cl 1 5.174 4 2 -4.62784006601102e-002 5045076 CC1=CC=C(C=C1)NC(=S)N2CCSC2C3=CC=CS3 1 5.708 2 0 -15.7331352441644 5045064 CC1=C(C(=NN1C)C)C2C(=C(OC3=C2C(=O)CCC3)N)C#N 1 0.93 4 2 0 -16.1711792046293 5044994 CC(C)C1=CC=C(C=C1)C2NC(=O)C3=CC=CC=C3O2 1 3.817 1 2 -1.26169615738661 5044912 CC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)C3=CC=CC=C3[N+](=O)[O-])Cl 1 4.123 4 3 0 -2.89813151447088 5044746 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O)C(F)(F)F 1 3.498 2 6 0 -7.70464819718723 5044744 C1=CC2=C3C(=C1)C(=NC3=CC=C2)NNC(=O)C4=CC=C(C=C4)Br 1 3.535 3 1 1.04541244748852 5044725 CCC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=N3 1 6.222 3 0 -10.5670650752081 5044706 CC1=C(C=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)NC3=CC4=C(C=C3)OCO4)C 1 2.256 3 5 0 -11.6406960459773 5044535 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.617 2 2 -5.62285070260663 5044466 CC(C(=O)OC)SC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 5.1 3 3 -3.47003084699792 5044431 CC(=O)N1CC(=O)N(C1C2=C(C=C(C=C2)Cl)Cl)OC 1 1.621 2 3 0 -5.570147518658 5044301 C1CSC(=N1)SCC(=O)NC2=CC=CC=C2C(=O)N 1 1.498 3 2 0 -16.7826017132366 5044280 C1=CC=C(C=C1)CCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)NCC5=CC=CO5 1 5.119 3 3 -19.7220312197257 5044270 CCN(CC)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)N(CC=C)C4=CC=CC=C4 1 5.685 4 2 -21.0528645855793 5044266 CCN(CC)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NCCC4=CCCCC4 1 5.613 4 2 -22.2248697582336 5044243 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3CC3 1 1.88 3 2 0 -8.54347394326116 5044232 C1=CC=C(C=C1)NC(=O)NC2=NC=CN=C2 1 0.76 4 1 0 -3.53532118474969 5044199 CC1(CC(=O)C(=CNCCN2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)C(=O)C1)C 1 1.937 3 3 0 -14.8867972958535 5044123 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCN3C=CC4=CC=CC=C43 1 1.99 3 4 0 -27.6954262109914 5044086 C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NC4=CC=CC=C4F 1 3.388 3 3 -14.4203420724033 5044084 CC(C)C1=CC=C(C=C1)NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4 1 4.377 3 3 -12.9402743065788 5044083 CCC1=CC=C(C=C1)NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4 1 4.125 3 3 -13.4631721390095 5044081 CC1=CC=C(C=C1)NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4 1 3.669 3 3 -13.2237340032304 5044041 CC1=CC=C(C=C1)C2=C(N(C3=C([N+]2=O)CCCC3)[O-])C 1 2.097 2 2 -3.44831994914591 5044038 CC1=C([N+](=O)C2(CCCCC2(N1[O-])C)O)C 1 0.257 2 3 0 -1.03532110515399 5043693 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=CC=C3F 1 2.496 2 3 -7.51464282430974 5043671 CC(=NNC1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3)C4=CC=C(C=C4)NC(=O)C 1 5.1e-002 8 3 0 -8.73542844058264 5043635 CN(C)C(CNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CN=CC=C2 1 2.005 3 2 -6.14620340812824 5043630 CN(C)C(CNS(=O)(=O)C1=CC=C(C=C1)F)C2=CN=CC=C2 1 1.546 3 2 0 -7.25632507324981 5043541 C1C(=O)N(C(S1)C2=CC=CC=C2F)C3=CC=CC=C3F 1 3.65 1 1 -9.6759216531358 5043540 C1C(=O)N(C(S1)C2=CC=CC=N2)C3=CC=CC=C3F 1 2.728 2 1 -9.01361721045138 5043536 C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3F 1 3.339 2 3 -12.6865989353701 5043424 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3CCN(CC3)S(=O)(=O)N4CCOCC4 1 1.028 4 4 0 -16.9997283933484 5043363 COC1=CC(=C(C=C1)N2C(SCC2=O)C3=CC=CC=C3F)OC 1 3.412 1 3 -10.9234763573732 5043358 C1C(=O)N(C(S1)C2=CC=CC=N2)C3=C(C=C(C=C3)F)F 1 2.933 2 1 -8.96082768983067 5043249 C1C(=C(C2=C(S1)C=CC(=C2)Cl)Cl)C=NNC3=CC=CC(=C3)C(=O)O 1 4.727 2 2 3.46611385314022 5043200 CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)COC4=CC=CC=C4C 1 3.594 5 2 0 -13.174055874023 5043098 C1=CC=C2C(=C1)C=C(C=N2)NC(=O)C3=CN=CC=C3 1 1.65 3 1 0 -3.14016664749069 5043073 C1=CC(=CN=C1)C(=O)OC2=CC=C(C=C2)F 1 2.316 1 2 -6.50563162605686 5042941 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC=C(C=C3)OC(C)C 1 3.839 2 5 0 -10.9275397781815 5042770 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)NNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 1.306 4 5 0 -22.0780196597157 5042765 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NNC(=N3)N 1 2.791 6 3 0 -16.8578308364675 5042689 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(N(C(=C3)C)C)C 1 3.761 3 1 -2.29264287602272 5042649 CN1C=CN=C1SCC(=O)C2=CC=C(C=C2)OC 1 2.246 2 2 -3.57871937829596 5042531 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC=O 1 2.2e-002 3 4 0 -7.2523321632347 5042475 CCOC1=NC(=C2C(=C1)C(=C(N=C2N)N3CCNCC3)C#N)N 1 0.895 7 1 0 -8.31909108348732 5042461 C1=CC=C(C(=C1)CNC(=O)C2=NC=CN=C2)Cl 1 1.413 3 1 0 -12.0226647888274 5042437 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=C3)COC4=CC=CC=C4 1 3.016 8 3 0 -26.4511233775106 5042384 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCCC4)S(=O)(=O)C5=CC=C(C=C5)Br 1 3.945 4 3 0 -23.5783299386782 5042365 CC1=NC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 1.865 4 5 0 -8.9180265632499 5042356 CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CC(C2=CC=CC=C2)NC(=O)C 1 3.004 2 4 -14.3716820459694 5042313 CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] 1 3.608 3 5 0 -11.3100428711566 5042246 COC1=CC=C(C=C1)CN2CCCCC2C(=O)O 1 -0.614 1 3 0 -3.65001482659008 5042204 CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)NC(=O)C3=NC=CN=C3 1 2.702 4 2 -14.4608296180444 5042170 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=CS3 1 2.398 3 5 0 -19.0249616854143 5042163 CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3C(=O)OC 1 4.708 4 5 0 -10.6249220416085 5042148 CC1=NN(C(=C1)NC(=O)C2=C(C=C(C=C2)F)F)C3=NC4=CC=CC=C4N3 1 3.716 5 1 -1.97727388878888 5042024 CC(C)CC1C2C(C(=O)N(C2=O)C(C)C)C3(N1)C4=CC=CC=C4N(C3=O)C 1 1.686 3 3 0 -2.97545726458925 5041879 C1C(OC2=CC=CC=C2O1)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.112 1 4 -3.85050518735695 5041693 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)N3CCOCC3)C(=O)N(C)C 1 0.473 4 3 0 -28.2602688797934 5041682 COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C#N)OC 1 3.39 3 4 0 -6.42558866649906 5041477 CN(C1CCS(=O)(=O)C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 0.37 3 7 0 -29.1441623683293 5041444 CN1C2=CC=CC=C2C3(C1=O)NC(=O)C4=CC=CC=C4N3C 1 2.006 3 2 -2.36616714251369 5041408 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)NN=CC2=CC(=C(C=C2OC)OC)OC 1 1.965 4 5 0 -12.0511793289572 5041407 CCC(C)(C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCC2 1 3.466 3 3 -7.97791256248475 5041296 CC1=C(C(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)C(F)F)Cl 1 0.815 8 4 0 -27.0154696521805 5041207 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCC3=CC=C(C=C3)OC 1 2.603 2 6 0 -25.1844221694618 5041181 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC3=C(C=C(C=C3)C)C 1 3.407 3 3 -14.5311426766771 5041179 CCOC1=CC=C(C=C1)N=NC2=C(ON=C2C)C 1 3.413 3 2 1.88332271472121 5041114 CCCC(CCC)(C(=O)NN(C1=CC=CC=C1)C(=O)NC2=CSC3=C2CCCC3)O 1 5.026 3 3 -21.078387531775 5041098 C1CN(CCN1C(=O)C2=CC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4 1 2.423 2 4 -14.0755591364635 5041085 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)NN=CC2=C(C(=C(C=C2)OC)OC)OC 1 1.965 4 5 0 -9.06818386760489 5040788 CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=CC=C3)[O-] 1 2.272 2 4 -3.86993366590387 5040783 CC(=NNC(=S)NCCOC)C1=CC=CC=C1F 1 2.286 3 1 -13.3134729609147 5040775 CC1CCCCC1NC(=O)CN2C(=O)C3=CC=CC=C3N=N2 1 3.069 4 2 -26.9287367101468 5040590 CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3C(=O)NC4=CC=CC=C4S3)C 1 3.854 1 5 -9.76729176058207 5040579 CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)OC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.704 4 3 0 -4.25692298767669 5040456 CN(C)S(=O)(=O)C1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3S2 1 2.274 2 3 -5.13697134205647 5040442 C1CN(CCN1CC2=CC=CC=C2)CC3=CN4C=CC=NC4=N3 1 2.015 5 0 1.09659202794974 5040422 COC1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C6=NC(=NN6C=N5)CON=CC7=CC=CC=C7 1 5.754 5 3 0 -6.24534882558219 5040420 C1=CC=C(C=C1)C2=NN(C=C2C(=O)NN=C(CCC(=O)O)C(=O)O)C3=CC=CC=C3 1 2.784 4 5 0 5.5835970105684e-002 5040357 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)C3=CC=C(C=C3)Br 1 2.98 1 6 0 -25.4939629669387 5040341 CCC1=CC=C(C=C1)NC(=O)CC(=NNC(=O)COC2=C(C=C(C=C2)C)Br)C 1 3.967 3 3 -5.8737991950949 5040248 COC1=C(C(=CC(=C1)CNC2=NC=CS2)Br)OCC=C 1 3.079 2 2 -7.93692912298344 5040224 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 1.398 4 6 0 -21.4701611791501 5040203 CCOC(=O)C1=C(NC(=C(C1C(=O)OCC(=O)NC)C(=O)OCC)C)C 1 -0.245 2 7 0 -20.1500621862628 5040166 CC1=C(C=CC(=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC(=C(C=C3)OC)OC)Br 1 2.914 3 5 0 -11.1564380064177 5040009 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C)[N+](=O)[O-] 1 3.171 3 5 0 -11.7984620588871 5040006 CC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)F)N3C(=O)C4CC=CCC4C3=O 1 2.705 3 3 -3.22644695080917 5039925 COCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4 1 3.279 5 4 0 -11.5616408533871 5039833 CCCNC(=S)NC1CCCC1 1 2.932 2 0 -11.4712039345832 5039769 C1CSC2=NC(C(=O)N21)(C(F)(F)F)NC(=O)C3=CN=CC=C3 1 1.435 4 2 0 -10.5740158968168 5039642 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C3N2C=CC=C3 1 0.461 4 3 0 -25.9923186038982 5039475 C1CCC(C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)O 1 1.428 2 5 0 -18.4192542876179 5039395 COC1=CC=CC(=C1)C(=O)NCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC 1 3.095 3 6 0 -22.0617369818624 5039304 CC1CCCCN1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 1.679 4 4 0 -21.7020399281635 5039276 CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=C(C)CCC3=CC=CC=C3 1 2.737 8 2 0 -26.6828542552047 5039185 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5 1 3.354 4 4 0 -11.9420671902119 5039173 C1C(CC(=O)C=C1NC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.194 1 1 -5.92205164294038 5039129 CCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCCN4CCOCC4 1 4.336 5 1 -11.0301761754719 5039107 CCC1=NN=C(S1)NC(=O)C(=O)NCCOC(=O)C2=CC=CC=C2 1 1.209 4 4 0 -21.6931030696855 5039055 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 1.753 2 6 0 -7.29592960986445 5039004 CC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4O 1 5.408 2 2 -3.23890551634966 5038926 CCC(C)NC(=O)CC(=NNC(=O)COC1=C(C=C(C(=C1)C)Br)Br)C 1 3.447 3 3 -12.8570984908669 5038862 COC1=CC(=C(C=C1NC(=S)NCC2=CC=CC=C2)Cl)OC 1 4.727 2 2 -10.6248978931247 5038827 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)C)Br)C)C 1 3.913 1 2 -2.90601028960756 5038753 CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C 1 3.616 1 5 -10.2653167569045 5038692 C1C(N(CC2=CC=CC=C21)C(=O)CSC3=NN=C4N3C=CC=C4)C(=O)O 1 2.229 4 3 0 -17.4165538279448 5038634 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4 1 2.737 8 4 0 -25.9474730542565 5038567 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)CC2=CC=C(C=C2)Br)Cl 1 2.886 2 5 0 -13.3625096910098 5038554 CC1=C(C=C(C=C1)NC(=O)C(C)C2=CC=C(C=C2)[N+](=O)[O-])Cl 1 4.157 2 3 -7.60990188218814 5038478 CC(C)NC(=S)NN=CC1=CC2=C(C=C1)OCCO2 1 2.743 3 2 -12.6243163713758 5038466 CC(C)(C)C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CC2=CC=C(C=C2)Cl 1 4.479 1 3 -5.90897235627182 5038463 CCC(C1=CC=CC=C1)C(=O)NC(CC(=O)O)C2=CC=C(C=C2)OCC 1 3.665 1 4 -12.0155231638831 5038440 CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)CN2C(=O)C(NC2=O)(C)C 1 0.409 3 6 0 -17.6912619723879 5038358 CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.878 2 7 0 -19.0911897093197 5038085 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)C4=CC=CC=C4F 1 1.955 3 6 0 -23.7962299347941 5038005 CCCCN1C2=C(C(=C1N)C3=NC4=CC=CC=C4O3)C(=NN(C2=O)C)[N+](=O)[O-] 1 2.957 6 4 0 -3.82686061440949 5037908 CC(=NNC(=O)COC1=CC=C(C=C1)OC)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 1.652 4 7 0 -9.30390166796401 5037907 CC1=NN(C(=C1C=NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])N3CCCC3)C4=CC=CC=C4 1 3.305 7 4 0 -6.54843436236762 5037865 C1=CC=C(C=C1)C(C(=O)NC2=CC=CC(=C2)C(F)(F)F)SC3=NNC(=O)NC3=O 1 3.066 4 3 0 -17.4557875982585 5037672 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CN5C=CC=CC5=N4 1 0.438 5 5 0 -22.5323012778804 5037607 CC1CC2=CC=CC=C2N1CC(=O)NCC3=CC=CC=C3Cl 1 3.752 2 1 -13.0658089728803 5037587 CC1=CC(=CC=C1)NC(=O)CC2C(=O)NC3CCCCC3N2C(=O)C4=CC=CC=C4Cl 1 3.723 3 3 -14.9522003207157 5037561 CC1=C(C=C(C=C1)SCC(=O)NC2CCS(=O)(=O)C2)C 1 1.911 1 3 0 -14.7604889058293 5037526 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCC2=CC=C(C=C2)OC)N 1 1.908 3 6 0 -18.2586398688412 5037437 CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)N(C)C3CCS(=O)(=O)C3 1 2.016 4 3 0 -24.3039591472683 5037436 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4 1 3.6 2 4 -25.1472050466709 5037377 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=CC=C(C=C4)OC 1 3.227 5 3 0 -12.0760452673016 5037318 CCOC(=O)C1=C(N=C(S1)NC(=O)CC2=C(C=CC=C2Cl)F)C 1 3.294 2 3 -14.0576347014881 5037220 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.507 4 5 0 -15.6267790536655 5036972 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NCCC3=CC=C(C=C3)OC 1 2.556 2 5 0 -18.4717308097798 5036937 CCOC(=O)CC(C1=CC=CC=C1Cl)NC(=O)CC2=CC=CS2 1 3.606 1 3 -14.9629659759846 5036875 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.363 4 7 0 -15.9877396636977 5036849 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C43 1 3.167 3 4 0 -21.5443140853034 5036687 C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-] 1 0.885 3 6 0 -13.3280360249443 5036659 CC1CC(CN(C1)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C 1 2.457 2 4 -16.7759339930313 5036605 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC 1 2.232 3 7 0 -19.2385235095182 5036624 CC(C(=O)N)SC1=NC2=NN(C(=O)C2=C3N1CCCCC3)C4=CC=CC=C4 1 2.543 5 2 0 -14.1118045410208 5036618 C1CCC(C1)NC(=O)NC(=O)COC(=O)C2CSC3(N2C(=O)CC3)C4=CC=C(C=C4)F 1 2.06 3 5 0 -10.7105292100098 5036574 C1CCC(CC1)(C(=O)NC2CCCC2)N(CC3CCCO3)C(=O)CNC(=O)C4=CC=CC=C4 1 3.052 3 4 0 -28.9912983958983 5036565 C1CC(OC1)CNC(=O)COC(=O)C2=CC=C(C=C2)O 1 0.862 1 5 0 -14.837935692655 5036424 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CN=C(C=C3)Cl)Cl 1 3.473 3 4 0 -11.9734882758384 5036401 CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 4.448 2 5 0 -9.36093936502167 5036384 CCOC(=O)C1=C(NC(=C(C1C(=O)OCC(=O)N2C(CC3=CC=CC=C32)C)C(=O)OCC)C)C 1 1.99 2 7 0 -20.584859669846 5036373 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)S(=O)(=O)N(C)C 1 1.962 4 6 0 -12.8617065912924 5036285 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC(=O)NC(C)C)C 1 1.128 4 4 0 -12.3896400322414 5036272 C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OC(=O)CNC(=O)C3=CC=CC=C3F 1 4.912 2 4 -18.5774033003291 5036147 CC1=CC(=C(C=C1)C)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 3.09 1 3 -4.69547570621818 5036134 CC1=CC=C(C=C1)N2C3=C(C(N4C5=CC=CC=C5N=C(C4=N3)NC6=CC=C(C=C6)OC)C7=CN=CC=C7)C(=N2)C 1 5.249 7 1 0 -3.86758699294408 5035890 C1=CC=C(C=C1)C(=O)NCC(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O 1 1.065 3 5 0 -13.32939095267 5035770 CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C4=NN=C(SC4)NC5CCCCC5 1 4.265 6 1 0 -14.4306359192102 5035758 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CC#N 1 0.456 3 3 0 -13.2245969403611 5035732 CC(C1=CC=CC=C1)NC(=O)CCC2=CC(=C(C=C2)OC)OC 1 3.457 1 3 -17.891911412262 5035618 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3O)C(=O)C4=CC=CS4 1 4.111 2 3 -7.85291745839053 5035577 C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=C(C=C(C=C4)F)Cl 1 4.089 1 3 -6.75253488839654 5035567 CC1=CC(=NO1)NC(=O)CN2C(=O)C(NC2=O)CC3=CC=CC=C3 1 0.86 4 4 0 -16.9905407075598 5035535 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)N(C)CC3=CC=CC=C3 1 2.647 3 3 -14.7594320245502 5035474 CC1=CC(=C(C=C1NC(=O)COC(=O)C2=NC=CN=C2)OC)[N+](=O)[O-] 1 0.813 4 6 0 -16.5922157561828 5035470 CCC(C)NCC(=O)NC1=C(C2=C(S1)CCC2)C(=O)N 1 1.386 3 2 0 -14.939183233677 5035394 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)OC(F)F)C3=CC=C(C=C3)OC(F)F 1 3.323 3 5 0 -5.01333603968269 5035222 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=C(N=CC=C3)Cl 1 2.743 3 5 0 -20.9907617057813 5035159 CC1=CC(=CC(=C1)C(=O)N(CC=C)C2(CCN(CC2)C(C)C)C(=O)NC3=CC=CC=C3)C 1 4.376 3 2 -14.1602044419475 5034999 CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)NC(=O)C)CCOC 1 1.8 5 4 0 -14.9589119496482 5034995 COC1=C(C=C(C=C1)NC(=O)CSC2=CC3=CC=CC=C3C=C2)S(=O)(=O)N4CCCCC4 1 3.934 2 4 -16.9121280354413 5034905 CCOC1=CC=CC=C1NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 3.149 2 6 0 -17.3542651612259 5034883 CCCN1C(=O)C2=CC=CC=C2N=C1SC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C)OC 1 5.934 3 3 -19.4698670987432 5034882 CC1(CC(=CC(=S)N1)N2CCN(CC2)CCO)C 1 0.668 3 1 0 -3.0511909687033e-002 5034852 C=CCNC1=NC(=C(C(=N1)NC2CCCCC2)[N+](=O)[O-])N 1 1.945 6 2 0 -8.17338430560076 5034755 CC1=C(C=CC(=C1)CCCC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3)OC 1 4.34 5 2 0 -10.1242103389562 5034646 C1=CC=C(C=C1)CCOC2=CC=C(C=C2)NC(=O)COCC(=O)O 1 2.056 1 5 -8.15854551236882 5034603 C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N(C(=O)N3)CC(=O)NC4=C(C=C(C=C4)Br)F 1 2.969 4 3 0 -6.35595326162784 5034600 CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)OC(C(C(F)(F)F)F)(F)F)CCOC 1 5.084 4 4 0 -10.6793517273787 5034501 CC(C(=O)OCC(=O)N1CC(=O)NC2=CC=CC=C21)OC3=CC=CC=C3 1 1.653 2 5 0 -17.8902943422078 5034366 CCC1(C(N(C(=O)O1)CCCN2C=CN=C2C)(C)O)C 1 0.812 3 3 0 -3.41300997887612 5034316 CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=CC=CC=C3F)C(=O)C1)C 1 1.911 4 1 0 -19.3960623436929 5034241 COC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)C(=O)OC)OC 1 2.877 1 4 -16.5161328551074 5034149 C1CCN(C(C1)C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4 1 2.404 2 5 0 -16.5505718925537 5034100 CCCNC(=O)CN1C(=O)C(NC1=O)(CC)C2=CC=C(C=C2)F 1 1.737 3 3 0 -11.8451639382766 5034068 CC(=NNC(=S)N)C1C2C3CC4C2C5C1C3C4C5 1 1.392 3 0 0 -4.13372190654854 5034039 C1=CNC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)Br 1 3.074 1 3 -6.33753964525381 5033969 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C 1 2.152 3 4 0 -11.6211678058599 5033938 CCOC(=O)C1=C(SC(=C1)C)N=CC2C(=O)CC(CC2=O)(C)C 1 2.372 1 4 -5.4581948714805 5033919 C1CC(OC1)COC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)Cl 1 3.628 1 3 -10.7754547032915 5033918 C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)Br 1 2.667 5 3 0 -12.3573877910026 5033863 CC1=CC(=C(C=C1NC(=O)COC(=O)C2=NNC3=CC=CC=C32)OC)[N+](=O)[O-] 1 2.758 4 6 0 -20.1372037559078 5033862 CCC(C)NC(=O)CN1C(=O)C2(CCOC3=CC=CC=C32)NC1=O 1 0.901 3 4 0 -14.4326843763258 5033850 C1=CC(=CC=C1OCC(=O)NCC2=CN3C=C(C=CC3=N2)Cl)Cl 1 2.741 3 2 -11.8317273339963 5033819 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=NC(=CS4)C5=CC=CC=N5 1 1.894 4 4 0 -1.75975440648135 5033756 CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2Cl 1 3.022 3 3 -12.4221667068059 5033755 CC1=CCC(CC1=NNC(=O)COC2=CC=C(C=C2)C)C(=C)C 1 3.916 2 2 -5.89109773003876 5033727 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-] 1 3.583 5 5 0 -6.03815264849635 5033670 C1C2=CC(=CC(=C2OCO1)CN3C(=O)C(NC3=O)CC4=CC=CC=C4)[N+](=O)[O-] 1 2.152 3 6 0 -4.74338587524722 5033665 CC1(C(OC2=CC=CC=C2O1)(C3=NC4=CC=CC=C4C=C3)O)C 1 4.035 1 3 4.34557170469615 5033624 CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)F)C4CCCCC4 1 3.222 9 2 0 -23.7098384415626 5033608 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3O 1 3.273 3 3 4.18739321516786 5033563 CC1=NN(C(=C1C2(C3=CC(=CC(=C3NC2=O)Cl)Cl)O)N)CCC#N 1 1.331 5 2 0 -4.67681198210775 5033430 CC(C)C1(CCOC(C1)(C)C)CCNC(C)C2=CC=CS2 1 3.896 1 1 -1.9528707239775 5033443 CC1=C(C=C(C=C1)NC(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3)S(=O)(=O)N(C)C 1 5.175 4 3 0 -17.6767711538603 5033376 CC1CC2=CC=CC=C2N1C(=O)CN3C4=CC=CC=C4C(=O)C=C3O 1 3.3 2 3 -5.76119063304449 5033207 CC(C(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O 1 2.864 1 5 -9.56682439843808 5033108 COC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 1.932 5 3 0 -20.2578793273487 5033101 CSCCC(C(=O)OCC(=O)NC1CC1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.473 2 5 0 -23.2310138150039 5032983 CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(C)(C)C 1 3.566 1 4 -15.9366973410956 5032977 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3 1 0.771 3 6 0 -18.233236580422 5032899 COC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)Cl 1 0.877 2 4 0 -24.4506601200428 5032842 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N)N 1 0.559 3 3 0 -13.1279198503941 5032828 COCCNC1=C(N=C(O1)CC2=CC=CC3=CC=CC=C32)C#N 1 2.705 3 2 -7.72671730538371 5051346 CCOC(=O)C(=NNC1=CC=CC=C1[N+](=O)[O-])C2=CSC(=N2)NC3=CC=CC=C3 1 4.012 5 4 0 -2.94266053816279 5051334 CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.844 3 0 6.19655813620434 5051259 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N)C)C 1 3.157 2 3 -14.7861654054051 5051223 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)NC(=O)C5=CC=CS5 1 4.756 3 3 4.12050201743431 5051090 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)NCCCN4C=CN=C4 1 1.988 4 3 0 -15.9940747839395 5032780 COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=C(C=CC=C4Cl)F 1 3.806 4 3 0 -14.2907981930492 5032739 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl)N 1 2.688 6 3 0 -2.50784364360051 5032706 CC1=NC(=NN1C23CC4CC(C2)CC(C4)(C3)Cl)[N+](=O)[O-] 1 2.479 4 2 -0.109439409183049 5032599 CC1CC(CN(C1)C(=O)CSC2=NN=C(O2)C3=CC=CO3)C 1 2.429 3 3 -15.0562675363044 5032456 CC(C(=O)N)OC(=O)C1=CC=CC=C1OCC2=CC=C(C=C2)Cl 1 3.255 1 4 -3.04881834833479 5032175 COC1=CC(=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4)OC 1 2.737 8 4 0 -24.9383019861488 5051123 CCC(=NNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])CC 1 1.688 4 4 0 -9.68378774278984 5051117 CN(C)C1=CC=C(C=C1)P(=O)(CC(=O)NN=CC2=CC=C(C=C2)C#N)OCCCl 1 2.637 4 3 0 -13.201587124975 5051077 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)NC5=CC=CC=C5 1 3.525 8 4 0 -6.59793603320345 5051076 CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC)C(=O)C(=CC4=CC=C(C=C4)OCC(=O)O)S2)C 1 3.901 2 7 0 -32.12262038523 5051072 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC(=C3)C)C)C 1 2.938 3 2 -16.819782835569 5051049 CC1=C(C=CC(=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NCCC4=CCCCC4)C)N)Cl 1 4.696 6 1 0 -16.6981436000444 5051044 CCCCC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)C)C3=NC4=CC=CC=C4S3 1 3.81 3 2 -11.7360015846629 5050909 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC=C(C=C2)N(C)C 1 1.556 2 4 0 -16.6257275398044 5050862 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCC3)NC1=S 1 3.802 3 2 -9.31997988408967 5050762 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCCNC(=O)C2=CC(=C(C(=C2)OCC)OCC)OCC 1 3.951 2 8 0 -14.6881672655935 5050726 CC(C)(C)N1C(=C(C(=N1)CC2=CC=CC3=CC=CC=C32)C#N)N 1 3.558 4 0 -1.08845219999702 5050682 C1=CC=C(C=C1)S(=O)(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=N4 1 2.474 4 3 0 -9.49038967851281 5050676 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=S)NC5=CC=C(C=C5)F 1 4.8 4 2 -10.4877606767878 5032140 CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 1.438 4 3 0 -13.5277232153729 5032092 C1CSC(=N1)SCC(=O)NC2=CC3=CC=CC=C3C=C2 1 3.404 2 1 -11.3550749660688 5032004 CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCS(=O)(=O)C3 1 2.054 3 4 0 -28.7321681249339 5031940 CCOC1=C(C=C(C=C1)CC(=C2C(=O)CC(CC2=O)(C)C)NCCC3=CC=CC=C3)OCC 1 4.808 1 4 -16.5070541124167 5031850 CC1(CC2=C(C(CC(=O)N2C3=CC=C(C=C3)F)C4=CN=CC=C4)C(=O)C1)C 1 2.845 2 2 -12.1411940610866 5031770 CC1=CC=CC=C1OCCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.217 2 4 -15.5364537722266 5031650 CCC1CCCCN1C(=S)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 3.983 3 2 -17.376071619017 5031637 CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C=NC3=CC=CC=C32)S(=O)(=O)N(C)C 1 1.498 4 5 0 -17.6179236169931 5031590 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)OC(F)F 1 2.723 3 4 0 -3.75391373806272 5031568 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=CN2C 1 0.398 2 5 0 -19.6180690570757 5031554 CCCC1(C2C(C(N1)C3=C(C(=CC=C3)OC)O)C(=O)N(C2=O)C4=CC=CC=C4)C(=O)O 1 -0.209 2 6 0 2.02914780657785 5031553 COC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=C(C=C(C=C4)OC)O)(CC5=CC=CC=C5)C(=O)O 1 0.351 2 7 0 4.77906159397415 5031475 CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C(=O)O)OC3=NC(=CC(=N3)C)C 1 4.531 2 4 -5.26382102131284 5031415 CC1=CC=C(C=C1)C(=O)C2C(=O)C3=CC=CC=C3C2=O 1 3.191 0 3 3.14238454279006 5031375 CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC4=C2C5=C(C=C4)N=CC=C5)O 1 3.911 2 3 -19.6914537203833 5031360 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 2.5 3 5 0 -24.3797237696254 5031300 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC5=CC=CC=C54 1 4.081 3 4 0 -16.2563109008154 5031232 CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NCC2=CC=C(C=C2)OC 1 3.867 2 3 -20.269642230733 5031227 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 2.01 3 7 0 -13.0172874819276 5031176 COC1=CC=C(C=C1)C(CC(=O)NCC2=CC=CO2)C3=CC=C(C=C3)F 1 3.767 1 3 -11.6801156990032 5031167 CC1=C(C(N(C(=S)N1C)C)C2=CC=C(C=C2)OC)C(=O)OC 1 3.408 2 3 -11.4154652612573 5031009 COC(=O)CCC(=NNC1=CC(=C(C=C1)Cl)Cl)C(=O)OC 1 3.156 2 4 -5.67965742795887 5050469 CCCCN1C(=NNC1=S)C2=NN(C=C2Cl)C 1 3.173 5 0 -1.3358995055098 5050437 CC1=CN=C(C=C1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CN=CC=C5 1 2.658 3 3 -6.30010033820282 5050334 COC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C4=CC=CC=C4)C5=CC=CO5)Cl 1 4.557 3 4 0 -4.25383331116864 5050272 CC1=CC=C(C=C1)S(=O)(=O)N(C)C(=O)NC(=O)NS(=O)(=O)C2=CC=CC=C2 1 2.144 3 6 0 -2.97740328767989 5050278 C1COCCN1C(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3 1 1.125 4 3 0 -23.727578922161 5050311 COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.203 3 5 0 -14.1982209526303 5050310 CCCCCN1C2=CC=CC=C2N=C1CCNC(=O)CCC 1 4.028 3 1 -16.6060341568644 5050002 CC(C)CN1C2=CC=CC=C2C(=NC3=CN=CC=C3)C1=O 1 2.754 3 1 -0.223662433753454 5050000 CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl 1 1.385 4 4 0 -24.9161831477916 5049921 COC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC 1 4.368 3 4 0 -20.0901923825122 5049914 CC(C)C1=CC=C(C=C1)NC(=S)NN=C(C)C2=CC3=C(C=C2)OCO3 1 5.028 3 2 -8.09684726479712 5049897 CC1CCCN(C1)C2=NC3=C(N2CCSC4=NN=C(S4)C)C(=O)N(C(=O)N3C)C 1 2.145 7 2 0 -22.7468607190715 5049883 CC1=C(C(C2=C(N1)NC(=NC2=O)SCC3=CC=CC=C3)C4=CC=CS4)C(=O)OC 1 3.711 3 3 -30.6138607776175 5049880 C1CC(OC1)CNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S 1 2.878 3 3 -18.7696630409568 5049855 COC1=CC=CC=C1C2=NOC(C2)COC(=O)C3=CC=C(C=C3)Br 1 3.875 1 4 -5.30812078714854 5049852 CCN1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3F 1 2.345 2 4 -6.9685357196466 5049849 COC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3F 1 3.4 1 5 -9.96214213319786 5049848 C1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3F 1 3.416 1 4 -10.5324038258457 5049847 CCOCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)CC2=CC=CC=C2F 1 2.113 1 5 -14.7734474824958 5049843 C1CCC(C1)NC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3F 1 3.235 1 4 -8.53612920289071 5049786 CC(C1CC2CCC1C2)NC(=O)C3=C(C=C(C=C3)F)F 1 3.691 1 1 -4.54494219243264 5049740 CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1COC3=CC4=CC=CC=C4C=C3 1 4.773 2 3 -2.6296727780482 5049706 C1CC2=C(C1)N=C(C(=C2)C#N)SC3CC(=O)N(C3=O)C4=CC=CC=C4 1 3.399 3 2 -6.92896460182454 5030750 CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 3.23 2 4 -12.6687039791916 5030739 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)C3=CC=NC=C3 1 1.984 4 4 0 -11.6258943642107 5030702 CC(=NNC(=O)CNC1=CC=CC2=CC=CC=C21)CCC3=CC=CO3 1 2.687 3 2 -9.25467116935624 5030498 CC1=C(C=C(C=C1)NC(=O)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)Cl)S(=O)(=O)N(C)C 1 5.839 4 3 0 -15.5934692681312 5030388 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 3.243 2 4 -12.6002797582996 5030385 COC1=C(C=C(C=C1)C=NNC(=O)CNC(=O)C2=CC3=C(C=C2)OCCO3)OC 1 1.496 3 6 0 -20.5193644315276 5030364 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])Cl 1 1.96 5 5 0 -14.1061140768137 5030363 CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3N2CCC#N)C)C 1 3.458 4 3 0 -10.6259692244952 5030151 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 0.525 5 4 0 -15.3322670101246 5030123 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)COC(=O)C3(CC3(Cl)Cl)C 1 2.3 2 6 0 -22.8760188325534 5030119 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)OC(C)C#N 1 2.349 2 4 -13.9193856250611 5030086 COC1=C(C=C(C=C1)NC(=O)C2=CC(=CN=C2)Br)S(=O)(=O)N3CCCCC3 1 2.23 3 4 0 -17.1422202385248 5030085 CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5 1 4.447 3 3 -11.5242305745226 5030032 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)O 1 2.558 2 6 0 -17.1190586379385 5030010 CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CS3)CCOC 1 2.314 4 3 0 -12.6381870555872 5029944 C1C2CC3CC1CC(C2)(C3)NC(=O)CON4C5=C(C=CC(=C5)Cl)N=N4 1 1.124 4 2 0 -1.33192523963097 5029871 C1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3 1 3.37 2 1 -9.04126433408191 5029651 CC1=NN=C(O1)SCCC(=O)NC2=CC=C(C=C2)Cl 1 2.097 3 2 -14.3285930188853 5029495 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3 1 2.18 3 4 0 -21.2402791054843 5029416 C1CC(OC1)CNS(=O)(=O)C2=CC=CC=C2 1 1.099 1 3 0 -9.64552991652154 5029357 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 1.9 3 6 0 -16.5717485443598 5029255 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4 1 1.862 5 5 0 -26.9818877799625 5029171 CCN1C2=CC=CC=C2N=C1CCCNC(=O)C3=CC=C(C=C3)F 1 3.66 3 1 -8.81787300463122 5029159 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N 1 3.168 5 3 0 -27.1753661068096 5029113 C1CC2=C(C1)C=C(C=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.597 3 3 -22.8445827058776 5029043 CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])CNC(=O)C 1 0.709 4 3 0 -4.75591120937494 5029025 CCOC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=C(C=C(C=C2)OC)OC 1 2.666 2 5 0 -6.89831234583993 5029022 CN1C2=C(C=C(C=C2)Cl)C=C1C(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.328 3 1 5.05712667012158 5028955 CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC(=O)C3=CC=NC=C3 1 2.353 3 5 0 -21.9105027991427 5028953 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CC3 1 3.604 1 4 -19.1807664414369 5028873 CC1(C(=O)N(C(=O)N1)CC(=O)NCCC2=CCCCC2)C3=CC=C(C=C3)Cl 1 3.128 3 3 -11.7310439572583 5028858 COC1=C(C=C(C=C1)Cl)C(=O)NNC2CC(=O)N(C2=O)CC3=CC=C(C=C3)Cl 1 2.561 3 4 0 -7.42764326642404 5028844 COC1=CC=CC=C1OCC(=O)NN=C2CCCCC3=CC=CC=C32 1 3.72 2 3 -12.4037258081116 5028776 CCC(CC)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2 1 2.556 3 4 0 -9.2126957405027 5028695 CC1CCCN(C1)CCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.686 5 4 0 -17.3694576733834 5028622 CC(C)NC(=S)NN=C(C)C1=CC(=CC=C1)[N+](=O)[O-] 1 2.832 4 2 -14.3265199745451 5028445 C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2CCC(=O)NCCO 1 2.273 3 2 -10.8573689564176 5028321 CCOC(=O)C1C(C(OC1=O)(C)C)C(C)C(=O)C2=CC=C(C=C2)C 1 3.26 0 5 -7.49643134335883 5028285 C1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)CC(C3=CC=CC=C3)NC(=O)C(F)(F)F 1 3.848 4 2 -18.5286220932606 5028236 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCCCC3C 1 1.238 5 3 0 -10.7102516437437 5028145 C1=CC=C2C(=C1)C(=NS2(=O)=O)NN=CC3=CC=C(O3)Br 1 2.228 3 3 -6.55732784206973 5028133 CC1=NC(=C(S1)CC(=O)O)C2=CC(=C(C=C2)OC)OC 1 2.416 1 4 -4.43121066515372 5028082 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.035 3 5 0 -10.0815667152436 5028078 C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3C(F)(F)F 1 4.762 1 2 0.817318434346811 5028075 COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl)OC 1 3.495 1 5 -10.144083975108 5028022 C1=CC(=CC(=C1)O)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.931 2 4 -0.290853578377378 5028045 CC(C(=O)NC(=O)N)OC(=O)C1=C(C=CC(=C1)CN2C(=O)C3=CC=CC=C3C2=O)OC 1 1.402 3 7 0 -10.149348499992 5027930 COC(=O)CC1C(=O)NCCN1C(=O)CSC2=NC3=CC=CC=C3S2 1 1.232 3 4 0 -30.1580355198089 5027787 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=NNC(=O)C5=CNC6=CC=CC=C65 1 5.745 5 2 0 13.0149130490699 5027786 CC1CCCC(N1N=C(C)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C 1 3.775 3 2 -4.69029138145881 5027702 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=C3CCCC(=O)C3 1 1.875 3 2 0 -7.58692001356593 5027684 CCC(C1=CC=CC=C1)C(=O)OCC(=O)C2=C(C=C(C=C2)OC)OC 1 3.862 0 5 -9.42372371954427 5027542 C1C=CCC2C1C(=O)N(C2=O)CC(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br 1 0.339 3 5 0 -14.15651265115 5027499 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 3.283 4 4 0 -28.5632879945081 5027472 COC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 2.27 2 5 0 -20.5901734885762 5027420 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3CCCO3)C(=O)CNC(=O)C4=CC=CC=C4 1 3.508 3 4 0 -28.9912983958983 5027366 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CN4C=CC=CC4=N3)Cl 1 1.252 4 4 0 -21.1775927532563 5027282 CC1=C(CSC2(C1)C(=NN(C2=O)C3=CC(=CC=C3)Cl)C)C 1 3.751 2 1 1.85194810824635 5027272 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2CCN(CC2)C3=CC=CC=C3OC)N 1 2.008 6 4 0 -9.10440291675385 5027270 C1CS(=O)(=O)CC1NC(=O)COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 -0.969 3 9 0 -24.3498867677137 5027228 CCC1=NN=C(S1)NC2=C3C=CC=CC3=NC4=CC=CC=C42 1 3.667 4 0 0.617680537313915 5026972 CC(=NNC1=NC(=NC(=N1)N2CCCCCC2)N3CCCCCC3)C4=CC=CC=C4 1 4.302 7 0 0 -3.60792955540783 5026873 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4 1 2.24 4 4 0 -15.6754577816561 5026871 CC1=CC=C(C=C1)C2=NN=C(SC2)NC3=CC=C(C=C3)F 1 4.415 3 0 -0.516723009377905 5026870 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C(O3)C4=CC=CS4 1 2.836 4 4 0 -29.822198862425 5026830 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=C(C=C4Cl)F)F 1 3.118 3 4 0 -17.1429876228061 5026726 CC1=CC=CN2C1=NC(=C2)C3=C(N(C(=C3)C)C4=CC=C(C=C4)OC)C 1 4.154 3 1 -2.08891523148085 5026561 CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 2.343 3 6 0 -8.99811567093762 5026542 CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N 1 2.193 3 4 0 -23.7872748036964 5026477 CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CS3 1 2.229 8 2 0 -25.6689567864316 5026453 CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC34CC5CC(C3)CC(C5)C4 1 0.933 5 2 0 -12.543841727167 5026410 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 1.438 4 3 0 -14.6714418230485 5026379 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC3=CC=CC=C3S2 1 3.104 2 3 -5.95174830236195 5026241 CC1(CC2=C(C=CC3=CC=CC=C23)C4=C(C(=O)C(=O)N41)C(=O)N5CCCC5)C 1 2.439 2 3 -4.68096844016638 5026222 C=CCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2 1 2.286 6 2 0 -4.73109975982648 5026204 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC3=CC(=C(C=C3)OC)F)C 1 3.335 2 3 -0.889932462802949 5026088 CC(C)OC1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NN 1 2.443 4 3 0 -13.9954921237113 5026084 CN(C1=CC=C(C=C1)C(=O)NN=CC2=C(C=CC(=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.344 3 5 0 -12.4192903656117 5026042 C1=CC=C2C(=C1)C=C(C(=NNC(=O)C3=CC(=CC=C3)Cl)O2)C(=O)N 1 2.62 3 3 -4.5196822181295 5026019 CCOC1=CC(=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N)[N+](=O)[O-] 1 1.346 4 5 0 -13.6121944913977 5025909 CCC(=O)N(CCC(C1=CC=CC=C1)C2=CC=CO2)CC3=CC=CS3 1 4.399 1 2 -12.576842076817 5025759 C1CCC(CC1)NC(=O)CN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43 1 2.297 4 3 0 -10.8180091951316 5025746 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN(C)C3CCN(CC3)C 1 2.774 4 3 0 -13.5935392574063 5025739 C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=N4 1 2.63 5 0 5.10762691447607 5025735 CCCNC(=O)CN1C(=CC(=O)C(C)(C)C)SC(=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C1=O 1 4.694 3 6 0 -12.4470624166609 5025592 COC1=C(C=C(C=C1)CC(=O)NNC(=O)C2=CC(=CC(=C2)OC)OC)S(=O)(=O)N3CCOCC3 1 0.661 3 8 0 -25.3733768135613 5025529 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)OC(=O)C4=CN=CC=C4 1 4.15 3 3 -3.31546869559453 5025448 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2Cl)N4CCCCCC4=NS3(=O)=O 1 2.472 4 5 0 -14.7691796359744 5025412 C1CN(CCN1C(=O)C2=CC=CS2)C34CC5CC(C3)CC(C5)C4 1 3.297 2 1 -11.5603232347551 5025384 CC1=CC=C(C=C1)C2=CSC(=S)N2CC(=O)OCC(=O)NC(C)C(C)C 1 3.996 2 3 -9.47626080347097 5025370 CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(=O)NN=C(C)C3=CC=C(C=C3)OC 1 3.743 3 5 0 -19.5808782478033 5025342 CC1=C(SC=C1)C=NNC2=CC=CC(=C2)C(=O)O 1 3.518 2 2 -0.732770064680734 5025288 C1CC(=O)N(N=C1C(=O)NC2=CC=CC=C2N3CCOCC3)C4=CC=CC=C4 1 1.938 4 3 0 -14.0993627016595 5025269 C1CC(OC1)CNC(=O)CSC2=NN=C(S2)NC3=CC=CC=C3 1 1.718 4 2 0 -21.7265719685459 5025058 CCOC(=O)C1=C(NC(C1=O)(C(F)(F)F)NC2=NC3=CC=CC=C3S2)C 1 2.888 3 3 -5.23585615412948 5025010 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NN=CC4=CN=CC=C4 1 2.792 3 2 -6.01825783545129 5024978 CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N 1 2.295 3 6 0 -18.7883530287269 5024925 CC1(CC2=C(C(C(=C(O2)N=CN3CCCC3)C#N)C4=CC=CC=C4)C(=O)C1)C 1 3.18 3 2 -16.3537506664597 5024860 CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-] 1 4.265 3 5 0 -12.7502927789725 5024845 CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CN4CCN(CC4)S(=O)(=O)C5=CC6=C(C=C5)OCCO6 1 2.626 4 5 0 -30.9264560665643 5024835 CCCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC3CCOC3=O)OCCC 1 4.525 0 7 0 -12.499963163344 5024764 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C)(C)CO 1 5.154 0 2 1.421042643084 5024749 COC1=CC=CC(=C1)C2=NN=C(SC2)NCC3=CC=CC=C3 1 3.714 3 1 0.193670601801251 5024743 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=NC=C2 1 0.581 3 3 0 -12.1980689910149 5024688 CC(C(=O)NCC1=CC=CC=C1OC)NS(=O)(=O)C2=CC=C(C=C2)Br 1 2.6 2 4 -16.5763922321948 5024672 CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1C(=O)N(C)C2CCCCC2 1 2.728 3 5 0 -20.4331382403836 5024664 C1=CSC(=C1)CNC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 3.339 2 3 -15.0857660842081 5024635 COC1=CC=C(C=C1)C(=O)N2CCN=C2SC 1 2.292 2 2 -6.93785682567354 5024608 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 0.638 2 7 0 -25.0854744929922 5024606 CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=COCCO2 1 0.598 2 5 0 -13.4515140083022 5024521 CN(C1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.344 3 5 0 -16.2017572127118 5024516 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)CC2=CC=CC=C2)Cl 1 2.138 2 5 0 -14.5426635412747 5024490 C1COCCN1C2=NC(=NC(=N2)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)N4CCOCC4 1 1.508 8 4 0 -3.09386240926464 5024343 CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)OC 1 3.525 3 5 0 -8.6217190327166 5024321 COC1=CC(=CC(=C1OC)OC)C=NNC2=C(C(=NS2)SC)C#N 1 3.496 4 3 0 -10.8984543341559 5024209 CC1=C(SC=C1)C(=O)NC2=CC=CC=C2N3CCOCC3 1 2.904 2 2 -8.25686155281349 5024171 CC1=C(C=C(C=C1)C(=O)OCC2=C(C=CC(=C2)C(=O)C)OC)S(=O)(=O)N3CCOCC3 1 2.283 1 7 0 -23.439864749067 5024066 CCC(=NNC(=S)NC(C)C)C1=CC(=C(C=C1)OC)OC 1 3.572 3 2 -15.5456091378526 5024001 CC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NCCC3=CC=CC=C3 1 2.483 3 3 -12.0105132379129 5023936 C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NN4C=NN=C4 1 1.926 5 1 0 -6.55348608913569 5023886 CC(C)(C)C(=O)NC1(C(=O)N(C(=O)N1)CCC2=CC(=C(C=C2)OC)OC)C(F)(F)F 1 3.055 3 5 0 -13.5572547897701 5023862 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CN=C(C=N3)C 1 1.389 3 3 0 -16.0761181590117 5023841 CCC(=NNC(=S)NC1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC(F)F 1 5.522 3 2 -5.01477489038465 5023756 CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NCC3=CC(=C(C=C3)OC)OC 1 3.049 3 6 0 -25.6477829634668 5023704 CC1=C(SN=N1)C(=O)NN=CC2=CC=C(C=C2)OC(F)(F)F 1 3.922 4 2 -8.81739062432803 5023678 CC(C(=O)NC(=O)N)OC(=O)CC1=COC2=C1C3=CC=CC=C3C=C2 1 2.05 2 5 0 -5.79356593321326 5023640 C1=CC(=C[N+](=C1)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 0.885 3 6 0 -11.5282495502343 5023637 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CC3=CC=CO3)C4=CC(=CC=C4)OC 1 2.58 3 6 0 -14.5887513382711 5023605 C1CN(CCN1C2=CC=C(C=C2)O)C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-] 1 3.761 4 5 0 1.88227266294536 5023587 CCC1CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53 1 5.74 5 4 0 -6.17629155068457 5023559 CC1=NC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 0.82 4 7 0 -24.1267484522629 5023553 CC1=CC=C(C=C1)CNC(=O)CN2C(=O)C(NC2=O)(C)C3=CC(=CC=C3)Br 1 2.954 3 3 -10.0174348092137 5023518 C1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F 1 3.141 2 3 -4.05146163505338 5023417 CCOC(=O)C1=CC=CC(=N1)C(=O)NC2=NC(=CC=C2)NC(=O)C3=NC(=CC=C3)C(=O)OCC 1 3.148 5 6 0 -11.1776472823683 5023161 C1CCCC(=NNC(=O)C(=O)NCC2=CC=CC=N2)CCC1 1 1.658 4 2 0 -14.4855575700025 5023128 CCOC(=O)C(=O)NNC1=CC=CC=C1C 1 1.808 2 3 0 -4.0291831229886 5023122 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2C4=CC=CC=C4F 1 2.77 3 6 0 -29.9342022845802 5023105 CC(C(=O)NN=C1CCCC2=CC=CC=C21)OC3=C(C=C(C=C3)Cl)Cl 1 5.093 2 2 -8.74632662526437 5023016 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3)Br 1 3.03 3 4 0 -17.2198330510506 5023013 CC1CCCC(C1C)NC(=O)COC(=O)COC2=CC=CC=C2Cl 1 3.674 1 4 -13.3294492415075 5022919 COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C(=N)N(C=N5)CCCO)OC 1 3.463 3 4 0 -5.94790676530944 5022904 C1=CNC(=C1)C(=O)COC(=O)COC2=CC=C(C=C2)Cl 1 2.826 1 4 -5.52099402035582 5022743 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CNC(=O)C3=CC=CC=C3F 1 2.077 3 6 0 -29.3162016445892 5022720 C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3C=C(C=N3)C(=O)C4=C(C=CC(=C4)F)O)[N+](=O)[O-] 1 3.806 4 6 0 -1.60251857373999 5022681 COC1=C(C(=CC(=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NC3CCCCC3)OC 1 1.375 2 8 0 -29.3321901365361 5022645 CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)CNC(=O)C2=CC=CO2 1 1.466 2 5 0 -12.0777921998926 5022596 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)C(=O)NCC3=CC=CO3)[N+](=O)[O-] 1 1.943 3 7 0 -10.2772407686465 5022577 C1=CC=C(C(=C1)CC(=O)OCN2C(=O)C3=CC=CC=C3C2=O)F 1 2.588 1 4 -8.63614275441623 5022519 C1CCC(CC1)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O 1 3.45 2 3 -3.6831196031884 5022513 CC(C)C(C(=O)OCC(=O)N1CC(=O)NC2=CC=CC=C21)NC(=O)C3=CC=CO3 1 1.116 3 6 0 -26.1045202048352 5022483 C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])NCCCO 1 2.221 3 4 0 -7.60197389227867 5022456 CC1=CC=CC=[N+]1C2C(C(=C(NC2(C3CC3)O)C(=C=[N-])C#N)C#N)C4=CC=CC=C4 1 3.088 5 1 -6.90527549089962 5022440 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C(CC(C)C)NC(=O)N 1 1.427 3 6 0 -22.2884865447674 5022375 CC1CC1C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 -0.413 3 5 0 -15.4134390612618 5022358 CC1=CC(=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4)C 1 4.032 6 3 0 -22.2434604556403 5022186 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CC=CC=C3 1 1.617 2 7 0 -24.0337909326183 5022184 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F)O 1 4.788 2 3 -17.361728817386 5022155 CCCN1C2=C(N=C1OC3=CC=CC=C3)N(C(=O)N(C2=O)C)C 1 2.874 4 3 0 -11.4821585440296 5022150 COC1=CC=C(C=C1)NC(=O)NC2=C(SN=C2SC)SC 1 3.266 3 2 -5.89087646737852 5022118 CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)O)Cl 1 4.949 1 4 -11.9487125875707 5022105 CC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4 1 3.413 2 3 -11.0878163247192 5022034 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)OC3=CC=C(C=C3)Cl 1 3.224 3 5 0 -18.1578965119406 5022023 CC(C)C(C(=O)NCC1=CC=C(C=C1)Cl)NC(=O)CNC(=O)OC(C)(C)C 1 2.643 3 4 0 -21.0391232090455 5022015 COCCN1C(=O)CC2=C1N=C(C3=C(N=C(C(=C23)C#N)N4CCN(CC4)C5=CC=C(C=C5)F)N)N 1 1.42 8 2 0 -5.28321772046378 5021996 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)OCC(=O)NC4=CC=C(C=C4)F 1 3.57 3 4 0 -10.6441698515331 5021903 CC(C(=O)NNC(=S)NC(=O)C1=CC=CO1)OC2=CC=C(C=C2)Cl 1 3.052 3 4 0 -7.07103057023474 5021687 CC1CC(CN(C1)CC2=C(N3C(=CC(=NC3=N2)C)C)Br)C 1 3.577 4 0 -0.684734742274723 5021543 C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-] 1 4.064 3 5 0 -3.95752489653012 5021536 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NC2=NN=C(S2)C 1 1.551 5 4 0 -35.1970503801035 5021511 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N(C)C)C 1 2.757 4 5 0 -16.6393427391243 5021509 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C 1 4.091 3 3 -24.9701257580433 5021338 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 -5.6e-002 3 8 0 -24.0636931497161 5021310 CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N(C)C 1 1.317 3 7 0 -22.1036209392441 5021307 CC(=NNC(=O)C1CC1)C2=CC=CC=C2Br 1 2.505 2 1 -7.67485490541971 5021241 C1CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)OC(F)F)C(=O)C1 1 2.108 2 3 -22.6096440258798 5021201 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC3=C(CCC3)C=C2 1 2.788 2 3 -16.3680690841589 5021199 CC(=O)NC(CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2 1 2.419 2 5 0 -11.4487536254708 5021083 CCN(CC)CCCNC(CC(=O)C1=CC=C(C=C1)Br)C(=O)O 1 -0.483 2 3 0 -6.53172170925863 5020975 CN1C=CN=C1SCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F 1 3.445 3 3 -11.0140240342206 5020888 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=C(C=C(C=C3)OC)OC 1 3.019 3 5 0 -15.414709745466 5020885 CC1=C(C(=NO1)C)C(=O)NC(C)C23CC4CC(C2)CC(C4)C3 1 2.772 2 2 -10.2891582276413 5020815 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=NCCS4)Cl 1 3.535 3 3 -25.6622955232469 5020804 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3 1 1.855 4 5 0 -15.2972681522549 5020799 COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)F 1 4.809 2 4 -4.76213485241827 5020717 CC1=C(C=CC(=C1)Br)NC(=O)CN2CCN(CC2)C3=CC=CC=N3 1 3.209 4 1 -4.61850931954782 5020682 CC1=C(NC(=C1C(=O)C)C)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 3.261 3 6 0 -25.4285414426269 5020681 C1C(=NN=C(S1)NC2=CC=CC=C2F)C3=CC=CC=C3 1 3.929 3 0 -0.849971244404795 5020597 C1=CC=C(C=C1)CCC2C(=O)N(C(=O)N2)CCOC3=CC=CC=C3 1 3.174 2 3 -3.06480237756671 5020544 CCC1=CC=CC(=C1NC(=S)N(CCN(C)C)C(C)C2=CC=CO2)C 1 5.864 3 1 -9.44248306959073 5020538 CC1=C(C=C(C=C1)NC(=S)N(CCN(C)C)C(C)C2=CC=CO2)Cl 1 5.587 3 1 -7.19909229046089 5020355 CC(C(=O)NCCCN1CCOCC1)OC2=C(C=C(C=C2)Cl)Cl 1 2.575 2 3 -10.4056339204588 5020277 COC1=CC(=C(C=C1)C(=O)N2CCN=C2SCC3=CN=CC=C3)OC 1 2.708 3 3 -12.3007649891597 5020270 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)[N+](=O)[O-] 1 3.824 4 6 0 -15.3621958583103 5020263 CC1=C(C=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)F)[N+](=O)[O-] 1 4.037 3 4 0 -21.0302107890491 5020258 CC1=CC(=CC=C1)OC2=NC=NC(=C2[N+](=O)[O-])N 1 2.323 4 3 0 3.24742868323879 5020196 C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)COC3=CC=C(C=C3)F 1 2.407 5 4 0 -22.9283570360298 5020060 COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.637 3 3 -8.44403534130574 5020025 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5 1 3.5 2 4 -19.8399583644689 5019976 C1CCC(C(C1)C(=O)NC2=CC(=CC=C2)Br)C(=O)O 1 3.009 1 3 -2.24270148835744 5019971 C1CCN2C(C1)C(=O)N(C2=O)CCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 3.077 4 2 4.12703559231928 5019888 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CSC(=N2)C3=CC=C(C=C3)F 1 4.842 3 4 0 -6.72065061263122 5019881 C1CN(C(=N1)SCC2=CC=CC=C2F)C(=O)CC3=CC=CS3 1 4.085 2 1 -16.0155394947856 5019878 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(O3)CNC(=O)C4=CC(=C(C=C4)OC)OC 1 2.987 5 5 0 -23.2818183989531 5019869 CC1=CC(=CC=C1)OC2=CC3=C(C=C2)N(C(=C3)C(=O)O)C 1 4.297 1 3 5.83301828232949 5019822 CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC=C(C=C3)Cl)N4CCOCC4 1 4.158 2 2 -11.294206693665 5019739 C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CC=C4 1 3.039 2 4 -1.56927009248271 5019754 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3Br 1 1.166 4 5 0 -11.7635892726506 5019695 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(C3)C)C(=O)C 1 0.934 3 5 0 -24.3363461432913 5019668 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-] 1 1.878 4 4 0 -11.2568352070313 5019666 CC1=CC=C(C=C1)CNC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)Cl 1 2.87 3 3 -8.83514516539027 5019661 C1=CC=C(C(=C1)CNC2=CC=C(C=C2)CC(=O)O)Cl 1 3.551 1 2 -6.27793699290368 5019658 CCOC(=O)C1CCC(CC1)CNCC2=CC=C(C=C2)Cl 1 3.98 1 2 -5.12422678619753 5019647 CCOC(=O)C1=CC=C(C=C1)CNCC2=CC=C(C=C2)C 1 3.641 1 2 -3.22680611930327 5019507 CC1=C(C=C(C=C1)NC(=O)C(=O)C2=CC=CC=C2NC(=O)C)F 1 2.312 2 3 -8.43118210436752 5019487 CCS(=O)(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CC=C3 1 1.802 3 4 0 -10.2922762743152 5019437 COC1=CC(=C(C=C1)NC(=O)CSC2=NN3CCCC(=O)N=C3S2)OC 1 2.726 4 4 0 -19.5242483233786 5019436 CCC(=O)NC1=C2CSCC2=NN1C3=CC(=CC=C3)Cl 1 3.15 3 1 1.22147764692762 5019386 CCOC(=O)C1CCCN(C1)C(=O)COC2=CC=CC=C2F 1 2.096 1 4 -10.8906952366269 5019385 COC1=CC=CC=C1C2=CN(C(=S)N2)C3=CC=CC=C3 1 3.818 2 1 -3.55083568095016 5019365 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NC4=NC=C(C=C4N3)Br 1 4.377 4 1 -4.11847081560887 5019095 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=C(C=C3)Cl 1 2.252 4 2 -3.33434854771384 5018928 CC1=C(C=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NN=CC3=CC=CO3)Cl 1 3.516 4 3 0 -9.4937677528917 5018828 C1CCN(CC1)C(=O)CCN2C(=O)COC3=CC=CC=C32 1 1.256 2 3 0 -11.2295755408947 5018742 C1CC2CC1C(C2C(=O)O)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.266 1 3 -2.33552490713824 5018709 C1=CC=NC(=C1)C(=O)OCC2=CC=C(C=C2)C#N 1 2.425 2 2 -7.05557291376372 5018705 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC=CC=C2Br 1 3.821 1 3 -14.7778207315241 5018698 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 2.213 3 7 0 -29.7905052058023 5018671 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.827 3 8 0 -26.291547398043 5018629 C1=CC(=CC=C1C=O)OCCOC2=CC=C(C=C2)[N+](=O)[O-] 1 3.099 1 5 -5.19928544467541 5018500 CCC(C)N1C(=CC=N1)NC(=O)C(C)Cl 1 1.991 3 1 0 -14.4229070680909 5018482 COC(C1NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F)OC 1 2.791 2 3 -9.61336433285647 5018453 C1CC2C(C(C1O2)C(=O)NC3=CC=CC=C3C(=O)O)C(=O)O 1 0.454 1 6 0 -5.88829430996317 5018374 CC1CCCCC1NC2=NCCCS2 1 2.894 2 0 -12.4924312770652 5018325 CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 2.862 2 8 0 -19.2692888916281 5018183 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CN3C2=NC4=C(C3=O)C=C(C=C4)Cl 1 1.585 4 4 0 -10.0393180698134 5018143 CCNC1=NC2=C(S1)C3=C(C(C(=C(O3)N)C#N)C4=CC=CS4)C(=O)N2 1 1.204 5 2 0 -16.1782570067162 5018069 CC1=CC(=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C 1 2.719 2 3 -9.14055859602989 5018016 CNC(=S)N1CC2CC(C1)C3=CC=CC(=O)N3C2 1 1.072 3 1 0 -11.1580504409803 5017921 CC(CC1=CC=CS1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.789 3 3 -10.917992201453 5017839 C1=CC(=C(C(=C1)Cl)CNCCCCCC(=O)O)Cl 1 0.955 1 2 0 -9.07154323445559 5017835 C1=CC=C(C=C1)OC2=CC=CC(=C2)CNCC3=CC=C(C=C3)C(=O)O 1 1.436 1 3 0 1.41129486395455 5017658 CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4 1 4.002 6 3 0 -22.0347866177611 5017464 CCC1CCCCN1CCCNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.268 4 5 0 -31.9583819303272 5017423 CCOC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCC(=O)C2 1 1.442 2 4 0 -5.57138263200389 5017326 CCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=CC=CC=C3C=C2 1 4.205 0 4 -6.00625712183566 5017249 COC1=NC(=NC(=C1N=O)NC(=O)C2=CC=CS2)N 1 1.872 5 3 0 -6.59046124410539 5017187 C1CCC(CC1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O 1 3.88 3 4 0 -3.36405436124932 5017176 C1C(=O)NC2=C(C=C(C=C2)F)C(N1C(=O)C3=CC=CC=C3F)C4=CC=CC=C4 1 3.657 2 2 -18.4359833298514 5017142 C1=CC=C2C(=C1)C(=C(O2)C(=O)N)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 1.626 3 6 0 3.0912680788227 5017133 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3 1 0.81 1 8 0 -23.7965090461053 5017086 CC1=CC(=C(C=C1)N(CC(=O)NC2CC2)S(=O)(=O)C3=CC=CC=C3)C 1 3.045 2 3 -16.6288436694055 5017078 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCCN3C=CN=C3)Br 1 0.395 4 4 0 -20.1287532313149 5017077 CC1=C(C=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)OC)C 1 4.263 2 3 -2.89493378779855 5017051 CC1CCCC(C1C)NC(=O)COC(=O)CC2=C(N=C(S2)N)C3=CC=C(C=C3)C 1 4.184 3 3 -4.14418355241186 5016948 C1=CC(=NC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F)C(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 2.944 3 6 0 -14.6735746664101 5016940 C1CN(CCN1C(=O)COC(=O)CCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4 1 2.319 3 5 0 -27.7495178611415 5016927 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N(CC3=C(N(N=C3C)C)C)C(=S)NC4=CC=C(C=C4)N(C)C 1 5.054 6 2 0 -6.94093702506554 5016899 CC1=NC(=CC=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-] 1 3.333 3 3 -0.592056470259746 5016818 CC1CC1C(=O)OCC(=O)NC2=C(C=C(C=C2Br)C)Br 1 3.65 1 3 -6.02265200527377 5016756 CC(C)CN1C=NC2=C(C1=N)C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=CC=C4 1 3.705 3 2 -15.4678052660035 5016738 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F 1 1.591 2 8 0 -27.3350015788869 5016732 CCCCNC(=O)C1CC(=O)N(C1)C2CCCC2 1 1.463 2 2 0 -18.8888889002697 5016720 COCCCNC(=S)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)F 1 4.497 2 1 -11.6352422087985 5016617 CCC1=CC=CC=C1NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)OC 1 4.233 2 3 -4.53717294768321 5016616 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC(=CC=C3)Cl 1 3.955 2 3 0.101850283547007 5016614 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCC4=CC=CC=C4C3 1 3.578 2 3 -6.36280698256055 5016612 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCN3CCOCC3 1 1.54 3 4 0 -8.04571809874391 5016604 CCOC(=O)N1CCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CC1 1 0.795 5 6 0 -13.9721772640352 5016502 COC1=C(C=CC(=C1)C=C2C(=O)N3C(C(=NN=C3S2)C4=CC=CC=C4)C5=CC=CC=C5)O 1 5.18 3 3 -8.66483376192958 5016478 C1COC2=C(C=C(C=C2)C(CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)F)OC1 1 4.608 1 3 -5.14778904627512 5016383 CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 2.123 3 3 -7.66070702368183 5016154 CC(=NNC(=S)NC)C1=CC2=C(C=C1)OCCO2 1 1.997 3 2 0 -11.2644713640574 5015981 C1=CC(=CC=C1C2=CC3=C(S2)C(=O)N=C(N3)CCl)F 1 3.33 2 1 -1.14627565326873 5015978 COC1=CC=CC(=C1)N2C=NNC2=S 1 1.919 3 1 0 -4.17268560412768 5015904 CN1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4Cl 1 3.953 4 0 4.56883008875665 5015783 C1=CC(=CC(=C1)N(CC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(F)(F)F 1 4.873 3 5 0 -16.5913110714171 5015747 CC1CCCC(N1C(=O)COC(=O)C2=CC=C(C=C2)O)C 1 2.381 1 4 -8.93702038280051 5015296 CC1=NN(C(=C1)C(=O)NCC2=CC=C(C=C2)OC)C3=CC=CC=C3 1 3.405 3 2 -7.40092870645802 5015294 CC1=CC=C(C=C1)CNC(=O)C2=CC(=NN2C3=CC=CC=C3)C 1 3.908 3 1 -7.17625909164769 5015293 CC1=NN(C(=C1)C(=O)NCC2=CC=C(C=C2)F)C3=CC=CC=C3 1 3.627 3 1 -6.27608547184863 5015292 CC1=NN(C(=C1)C(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.086 3 1 -5.16596380672706 5015283 C1COC2=CC=CC=C2N1CC(=O)NCC3=CC=C(C=C3)Cl 1 3.102 2 2 -11.9777242450761 5015111 CC(=O)NC(CC(=O)NC1CCCCC1)C2=CC=CC=C2 1 2.152 2 2 -13.7758934346378 5015023 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 1.483 3 6 0 -22.7567545215321 5014983 C1C(N(N=C1C2=CC=C(C=C2)Cl)C(=O)COC(=O)C3=CC=CO3)C4=CC=CO4 1 3.471 2 5 0 -10.9649687799676 5014870 CC1=NN(C(C1)(C(F)F)O)C(=O)CN2C=C(C(=N2)OC)[N+](=O)[O-] 1 0.2 5 5 0 -8.05277213598839 5014840 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)N 1 0.649 5 6 0 -21.7675425787355 5014766 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=C(C=C4)Cl 1 2.205 4 4 0 -28.2686767722 5014765 C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 2.825 3 6 0 -14.7635068300954 5014760 CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2CCCCC2 1 3.631 4 3 0 -12.570418195388 5014696 COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC=C2Br 1 3.056 1 3 -3.85752982759589 5014694 CC1=CC(=C(N1CCOC)C)C2=NN=C(SC2)NC3=CC=CC=C3 1 3.183 4 1 -10.9894572631458 5014620 CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C)C 1 3.472 2 3 -20.8362345909967 5014524 C1C2C=CC1C(C2C(=O)NNC(=O)C3=C(C=CC(=C3)Cl)O)C(=O)O 1 1.172 2 5 0 -0.755992585623862 5014511 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)OC(C)C(=O)N(C)C4CCCCC4 1 2.874 4 6 0 -24.0716209813622 5014505 CC1=CC(=NC2=CC=CC=C12)NN=CC3=CC=C(O3)[N+](=O)[O-] 1 3.437 4 3 0 8.77713201728305 5014434 C1CCCN(CC1)C(=O)C(=O)NN=CC2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3Cl 1 3.236 4 4 0 -14.2837146069182 5014398 CC1=NC2=C(C(=N1)SCC3=CC=CC=C3)OC4=CC=CC=C42 1 4.603 2 1 -1.46472063474274 5014373 C1C(=O)N(C(S1)C2=CC=CC=N2)C3=CC(=C(C=C3)Cl)Cl 1 3.851 2 1 -9.31558809729024 5014346 CC(C(=O)OC)NC1=CC(=CC=C1)Br 1 2.578 1 2 -7.36977826416338 5014332 CC1(C2CC=C(C1C2)C=NNC(=O)C3=CC=C(C=C3)O)C 1 2.89 2 2 2.37181862479152 5014184 C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.866 2 4 0 -12.8005482307306 5014092 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Cl 1 5.05 1 2 0.732802484471764 5013936 COC(=O)C1=NN(C2=C1C(=O)N(C2=O)C3=CC=C(C=C3)F)C45CC6CC(C4)CC(C6)C5 1 4.012 3 4 0 -6.09567532848287 5013878 CCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3CCCO3 1 1.644 3 3 0 -17.6314914855362 5013800 CC1CC(CN(C1)C(=S)NC2=CC=C(C=C2)OC(F)F)C 1 5.409 2 1 -9.00821631557552 5013791 CC1=CC(=CC=C1)N2C(=NNC2=S)CN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 2.988 6 2 0 -6.02601995438001 5013787 C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)C5=CC(=CC=C5)[N+](=O)[O-] 1 3.839 3 3 -1.92026172179507 5013778 C1=CC=C(C(=C1)C=NNC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(F)(F)F 1 6.635 3 0 -0.332175684986966 5013707 CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CS2)OCC 1 3.617 1 3 -13.7437205897077 5013606 CCOC1=CC=CC(=C1)C2C3=C(C(=O)N2CCCN(C)C)OC4=CC(=C(C=C4C3=O)C)C 1 3.863 2 4 -6.69013536857744 5013644 CCC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC(=O)NCC4CCCO4)SC(=C3C)C(=O)N(C)C 1 2.892 4 5 0 -24.0619293428904 5013640 CCC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC(=O)NCC4=CC=CO4)SC(=C3C)C(=O)N(C)C 1 3.298 4 5 0 -21.6324929848131 5013637 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C 1 4.249 3 3 -16.5292311483719 5013621 CC(C(=O)NN)OC1=CC=C(C=C1)F 1 0.865 2 2 0 -5.07439838570173 5013593 CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2C4=NC=CS4)OC5=CC=CC=C5C3=O)O 1 3.022 2 5 0 -7.13407223729085 5013441 CC1=C(C2(CCCCC2)C(C(=S)N1)C(=O)N)C(=O)NC3=CC=CC=C3 1 2.485 3 2 -9.87785678976197 5013372 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(COCC3=CC=CO3)O 1 1.813 2 4 0 -6.9680816770609 5013282 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CCCOC2=CC=C(C=C2)C(=O)C)C 1 3.06 2 5 0 -19.6808182007505 5013281 COC1=CC=CC=C1C(=O)NCC(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.621 4 5 0 -16.7297391502847 5013256 C1CSC2=NC=C(C(=O)N21)C(=O)NCC3=CC=C(C=C3)F 1 1.436 3 2 0 -14.2526350223127 5013252 CCC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)[N+](=O)[O-] 1 1.364 4 5 0 -7.12042649126948 5013201 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Br 1 4.48 2 2 -17.3654645926719 5013108 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Cl 1 3.245 4 2 -16.8786217993902 5013096 CCC(C)NC1=C(C(=O)CC(C1)(C)C)C(=O)CC2=CC=CC=C2 1 3.488 1 2 -13.810417855699 5013087 CC1=CC=CC=C1NC(=S)N(CCN(C)C)C(C)C2=CC=CC=N2 1 4.805 4 0 -8.25682323815906 5013043 CSC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C4=CC=CC=C4 1 4.407 3 1 -7.11573097047319 5012998 CC1=CC(=C(C=C1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)C 1 5.179 3 0 -4.89312539704853 5012936 CC1=CC(=C(C=C1)C=NNC2=C3C=CC(=CC3=NC=C2)Cl)C 1 5.271 3 0 3.84954612691024 5012901 C1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)NC4=CC=CC=C4Cl)O 1 4.861 2 4 -5.94681974223763 5012843 CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)C)C)N 1 4.051 3 2 -3.81889033468557 5012705 C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCCCCC(=O)NCCC4=CC=CC=C4 1 4.356 3 4 0 -14.65932251102 5012608 CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN3C=CC=C3C2C4=CN=CC=C4 1 6.28 4 0 -13.7555869119005 5012484 CCN(C1=CC=CC(=C1)C)C(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)NC(=O)C6=CC=NC=C6 1 3.33 5 3 0 -14.9452136301386 5012481 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)NC(=O)C6=CC=NC=C6 1 2.24 5 6 0 -15.8191796482357 5012247 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 -1.271 5 7 0 -32.3687718148219 5012194 COC1=CC=C(C=C1)CC(=O)N2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F 1 4.271 4 2 -10.2339401220179 5012169 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)NC(=O)C6=CC=NC=C6 1 2.622 5 4 0 -11.8375049046107 5011682 CCOC1=CC=C(C=C1)NC(=O)N(CCN(C)C)C(C)C2=CC=NC=C2 1 2.433 4 2 -3.44082307133719 5011637 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)NC(=O)NCCCl 1 2.569 3 4 0 -15.316796848144 5011557 COC1=CC(=C(C=C1)NC(=O)CCC(=O)C2=CC=CS2)OC 1 2.49 1 4 -14.3436205814082 5011553 CC1(C2CC=C(C1C2)C=NNC(=O)C3=CC=C(C=C3)Cl)C 1 3.796 2 1 2.3139432042392 5011391 CN1C=CN=C1C(=O)C2=CC=CC=C2Cl 1 2.398 2 1 -3.25569218484449 5011167 CC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)N3CCOCC3 1 2.352 3 2 -7.47179236167711 5011099 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)CC4=CC=CC=C4 1 1.484 6 3 0 -6.74385078445905 5011023 CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CN=CC=C3 1 3.904 2 3 -2.49364438917137 5010911 CC(=NNC(=S)NCCC1=CC=CC=C1)C2=CC=C(C=C2)OC 1 4.1 3 1 -10.1914232150998 5010903 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)N(C(=C3)C)C 1 3.455 2 2 -2.96132737124709 5010791 CCC(C)NC(=O)CSC1=CC=C(C=C1)NC(=O)C 1 1.802 2 2 0 -16.5499198185466 5010546 CC1=CC(=CC=C1)N2C(SCC2=O)C3=CN=CC=C3 1 2.574 2 1 -8.94314541322213 5010503 C1CN(C(=N1)SCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.786 3 3 -13.7332254748944 5010463 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CCNC(=O)C4=CC=CC=C4Cl 1 2.014 4 5 0 -27.9314116615046 5010407 COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)S(=O)(=O)N3CCCCC3 1 2.027 2 5 0 -16.4265242969227 5010406 CN1C(=NN=N1)SCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 0.877 6 4 0 -32.5019158599056 5010398 CC1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)Cl 1 2.539 2 4 -13.011087990625 5010280 CC1CCCC(C1C)NC(=O)NC(=O)CCl 1 2.115 2 2 -8.32256467835514 5010278 CCN1CCN(CC1)C(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C 1 1.276 3 2 0 -7.66455676971996 5010064 C=CN1C=CN=C1P(=S)(C2=NC=CN2C=C)C3=NC=CN3C=C 1 2.033 6 0 -2.03538370346343 5009977 CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC3=CC=CO3 1 1.271 2 3 0 -13.3119923441295 5009928 CCOC1=CC=C(C=C1)NC2=CC(=O)OC3=CC=CC=C32 1 3.321 1 3 -1.56913894590485 5009759 CC1=C(C=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3C(=O)O)C 1 5.024 5 6 0 -10.3836712127754 5009750 CCC(C)N(CC(=O)NC1=CC=CC(=C1C)C)C(=O)CCl 1 2.971 2 2 -8.56296362546686 5009707 CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=NN2C)Br)[N+](=O)[O-] 1 3.682 5 4 0 -10.726454239182 5009544 CC1=C(C(=NO1)C)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.955 2 6 0 -28.0341455696373 5009449 C1CN(C2=CC=CC=C21)C(=O)CNC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.36 3 4 0 -25.5705297951878 5009403 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)NC)S(=O)(=O)NCC5CCCO5 1 3.483 5 4 0 -22.4793883700465 5009305 COC1=C(C=C(C=C1)C(=O)N=C2N(C3CS(=O)(=O)CC3S2)C4=CC=CC=C4)OC 1 3.326 2 5 0 -18.5150116775216 5009291 CCN(CC)CCNC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 4.582 3 1 -5.09847421782858 5009283 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.664 2 5 0 -13.1378193717614 5009249 C1C=CC2C1C(=NNC(=O)C3=CC=C(O3)Br)C2 1 1.813 2 2 0 -5.48959128359127 5009230 C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S 1 5.133 2 1 -4.23508142078743 5009129 CC1=NC(=CC=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 2.042 3 2 -5.77457042933842 5009111 C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O 1 2.018 3 4 0 -13.0907305266413 5009098 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2COC3=CC=CC=C3O2 1 0.761 3 6 0 -10.9020690867331 5008922 CC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC3=CC=CC=C3F 1 4.048 1 2 -6.51315471935374 5008898 CCCCC1=NOC(=N1)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 4.271 3 2 -8.31854740964389e-002 5008897 CCCCCCC1CCC(CC1)C2=NC(=NO2)C3=CC=NC=C3 1 4.989 3 1 2.45741097172106 5008895 CCN(CC)CC1=C(N2C=CC=NC2=N1)Br 1 2.154 4 0 0.660629117301084 5008796 C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2OC(F)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.502 2 8 0 -23.5147675468582 5008790 C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=CC=C4F 1 3.418 1 3 -5.20819669660904 5008747 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=C(N(N=C3C)C4=CC=CC=C4)N5CCCC5)C 1 5.4 6 3 0 -9.90253599387953 5008729 CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4=NOC(=C4)C 1 2.636 4 4 0 -27.5093855340092 5008717 COC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-] 1 3.292 3 5 0 -13.5946054051155 5008579 CC1=C(C2=C(N1)C=CC(=C2)F)CCN3C(=O)OC(C3(C)O)(C)C 1 2.772 2 3 1.63221326079997 5008576 C1CCN(C1)C(=O)CN2CCOC3=CC=CC=C32 1 1.521 2 2 0 -12.2549030158692 5008575 C1COC2=CC=CC=C2N1CC(=O)NCC3=CC=C(C=C3)F 1 2.643 2 2 -13.0878459101977 5008398 CCOC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NCC3=CC=CC=C3 1 3.038 2 3 -12.4442156811042 5008392 C=CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F 1 1.073 2 5 0 -25.8986812968349 5008388 CNS(=O)(=O)C1=CC(=C(C=C1)NCC2COC3=CC=CC=C3O2)[N+](=O)[O-] 1 1.907 3 6 0 -10.3511831139005 5008348 CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N(C)C4=CC=CC=C4 1 3.843 4 2 -10.606242853476 5008012 COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.437 2 5 0 -21.310852797682 5007790 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=NC=NC4=CC=CC=C43 1 1.352 4 5 0 -17.7456557885579 5007427 COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5 1 2.911 3 7 0 -27.6382581310885 5007390 CC(CN1CCNCC1)(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.118 3 2 -9.66646639748963 5007365 CC1=C(C(=O)N=C2C=CC=CC2=N1)NNC3=CC=C(C=C3)[N+](=O)[O-] 1 1.998 5 3 0 -6.06073057674942 5007235 C1=CC=C2C(=C1)C=CC=C2NC3=NC(=CS3)C4=CC=C(C=C4)NC(=O)CCC(=O)O 1 3.561 3 3 -1.2964941480426 5007207 COC1=C(C=C(C=C1)C=NNC(=O)CC2C(=O)NNC(=N2)CC3=CC=CC=C3)OC 1 1.244 5 4 0 -14.7300038081584 5007139 CCCCNC(=O)N(C1CCCC1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 2.315 5 3 0 -10.1592343030354 5007032 C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)N 1 2.207 2 1 -3.66407574229609 5006955 CC1=C(C(=C(C(=S)N1C2=CC=C(C=C2)Cl)[N+]3=CC=CC=C3)[O-])C#N 1 3.639 3 1 -4.55291914619028 5006908 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC3=CC=CC=C3C(=O)N 1 2.021 2 4 -16.1648633471055 5006693 C1C(CN(C1=O)CC2=CC=CO2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 1.221 3 5 0 -14.9089943663845 5006677 CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)NC(C)C2=CC=CC=C2 1 4.82 1 3 -16.0235087316147 5006358 C1C(N(C(=NC2=CN=CC=C2)S1)CC3=CC=CO3)(C4=CC=C(C=C4)OC(F)F)O 1 4.079 3 3 2.55043778684627 5006306 CC1=CC(=C(C=C1)C)NC(=S)NN=C2CCCCC3=CC=CC=C32 1 6.276 3 0 -11.0437816962947 5006213 CC1=CC=CC(=N1)C=NNC(=O)C2=CC=NC=C2 1 1.093 4 1 0 -5.01999099983033 5006204 CC1=CC=C(C=C1)S(=O)(=O)C(CC=C)C=C 1 3.425 0 2 -5.55836892741074 5006032 COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCC3=CC=CC=C23 1 3.588 1 4 -9.6326006305708 5005979 CC1CC1C(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC 1 1.557 1 5 0 -9.94826702058828 5005798 CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CC(=O)NCC3=CN=CC=C3)C 1 2.987 3 3 -14.6067605496488 5005796 CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CC(=O)NCC3=CC=CC=N3)C 1 3.202 3 3 -14.2886247426872 5005675 C1COCCN1CCCNC(=O)C2=NC=CN=C2 1 -0.946 4 2 0 -13.1943749687251 5005629 CC(C)N(CC1=CC=CC=C1)C(=S)NC(=O)C2(CC2(Cl)Cl)C 1 4.505 2 1 -8.3135515366424 5005570 CC1=C(N=CC=C1)NC(=O)C2=CC=C(O2)Br 1 2.452 2 2 -4.31705105256232 5005482 CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCC4=CC=CC=C4 1 2.475 5 3 0 -17.7298874195791 5005471 CN1C2=CC=CC=C2N=C1SCC(=O)N3CCCC3=O 1 1.94 3 2 0 -12.9401739073689 5005468 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=CC=C3)O 1 2.512 2 4 -17.2805601293149 5005436 CC1=CC(=NC=N1)SC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)F 1 4.274 3 1 -8.30815957795111 5005247 CC(C)C(C(=O)NCC(=O)OC)NC(=O)C1=CC=C(C=C1)Cl 1 1.796 2 4 0 -22.4686354813057 5005128 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)Br 1 1.962 3 6 0 -20.1021859359508 5005068 C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=S 1 3.629 3 2 -16.6133687303782 5004788 CCC1=CC=C(C=C1)NC(=O)C(=O)C2=CC=CC=C2NC(=O)C 1 2.563 2 3 -10.4140275661368 5004735 CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)OCC)N)C 1 4.069 6 2 0 -12.9881525860975 5004676 CC1CCC2=C(C1)SC(=N2)NC(=O)CCSC3=CC=CC=C3 1 3.895 2 1 -10.3658947263457 5004592 C1CCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CC1 1 1.773 4 4 0 -11.8604084292025 5004557 C1=COC(=C1)CNC(=S)NCC2=CC=C(C=C2)Cl 1 3.671 2 1 -6.50254207872791 5004542 C1C(N(C(=S)N1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br)O 1 4.552 2 2 -5.92728318954822 5004541 C1C(N(C(=S)N1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)O 1 4.468 2 2 -4.47062344444678 5004540 C1C(N(C(=S)N1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)O 1 3.804 2 2 -6.84695679222408 5004505 C1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=C(C=C4)Cl 1 3.874 8 2 0 -21.363009137022 5004465 C1CN(CCN1CCC(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.658 3 3 -16.5959856786403 5004463 COC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.436 3 4 0 -15.7541007407708 5004315 CC(=O)NC1=NC2=C(S1)C(=CC=C2)[N+](=O)[O-] 1 1.47 3 3 0 -4.12023874251101 5004011 COC1=CC=CC=C1C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)F 1 2.644 3 3 -2.82722402167558 5003977 C1=CC=C(C=C1)CN(C2=CC=CC=C2Cl)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O 1 5.065 1 4 -14.6284553917478 5003966 C1CC(C2=CC=CC=C2C1)NC(=O)C3=C(C=CC=C3Cl)F 1 4.507 1 1 -6.37234544857746 5003885 CC1=CC(=NO1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br 1 3.194 3 3 -10.1558289947734 5003880 C1CCCN(CC1)C(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br 1 4.058 2 2 -2.15363440065635 5003875 C1=CC(=C(N=C1)Cl)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl 1 3.694 3 2 -1.71464511272432 5003862 COC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O 1 4.485 1 3 2.2876406335822 5003778 C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=CC(=CC=C3)N 1 2.597 2 3 -11.93878865045 5003658 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)N(CC)C2CCS(=O)(=O)C2 1 0.622 2 7 0 -31.8762439308185 5003636 CC(C1CC1)N(C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3OC(=O)C 1 3.769 1 4 -6.48748567345818 5003507 CC(=NOCC(=O)NC1=CC2=C(C=C1)OCCO2)C3=CC4=C(C=C3)OCCO4 1 1.884 2 6 0 -10.1492202665964 5003498 C1=CC=C(C=C1)C2=C(NC3=C2C=CC=C3C(=O)O)C4=CC=CC=C4 1 5.081 1 2 -0.9489768748586 5003492 COP(=O)(C(C1=CC=CC=C1)NC2=CC=CC=N2)OC 1 2.124 2 3 -4.83522464911885 5003451 COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)O)[N+](=O)[O-] 1 2.309 4 6 0 -10.3707625971524 5003426 CN1C(=NN=N1)SCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O 1 0.519 6 4 0 -21.5968105791585 5003144 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=NN=C(S3)C)CCC4=CC=CC=C4 1 2.605 5 2 0 -23.4700260878116 5003080 CC(C(=O)NN=CC1=CC=CS1)NC2=CC=CC=C2OC 1 2.764 3 2 -10.2405993165976 5003031 CCNC1=NC2=NN=C(N2C(=N1)NCC)SC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C)OC 1 4.435 8 2 0 -18.1027176441049 5002993 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NCC3=CC=C(C=C3)Cl 1 2.288 2 6 0 -27.9134497492008 5002992 CC1CCCC(N1N=C(C)C2=CC(=CC=C2)NC(=O)C)C 1 2.336 3 1 -6.11761094875513 5002944 COC1C2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)Cl 1 3.635 1 2 -0.46233701100211 5002857 C1CCC(CC1)N2C(CCC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.24 2 4 -14.183590089536 5002844 COC1=CC=CC(=C1OC)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4CCCO4 1 2.294 2 7 0 -32.4119901697582 5002608 C1CCC(C1)N2C(CCC2=O)C(=O)NCCC3=CC=CC=C3 1 2.337 2 2 -13.2059358186212 5002580 CC(=O)CSC1=NN=C2N1C3=CC=CC=C3C(=O)N2CC=C 1 1.96 4 2 0 -19.2210421969455 5002540 COC1=CC=CC=C1CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.436 3 3 -6.7767621569679 5002538 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.938 3 2 -3.49299075524467 5002537 CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.388 3 2 -2.48235076144328 5002435 C1=CC(=CC(=C1)F)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 2.421 4 4 0 -7.08946989729796 5002206 CC1=CC=CC=C1CSCCC(=O)NCCC2=CCCCC2 1 4.5 1 1 -18.3249913909913 5002148 CC(C)C(C(=O)NNC(=O)C1=C(C=CC(=C1)Cl)OC)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.873 3 6 0 -20.2470864830642 5002087 CC1=CC=C(C=C1)N2C(CN(C2=S)C(=O)C3=CC=CC=C3)O 1 4.29 2 2 -6.2926221350336 5002105 C1=CC=C2C(=C1)C=CC=C2NC(=O)CCCN3C=NC(=N3)[N+](=O)[O-] 1 2.325 5 3 0 -13.3409257765269 5002102 CC1=C(C=CC=C1Cl)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-] 1 2.567 5 3 0 -11.1086390062871 5002100 C1=CC(=C(C=C1NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])Cl)F 1 2.287 5 3 0 -10.4661151299703 5002006 CC1CCCC(C1C)NC(=O)C2=CC(=NC3=CC=CC=C32)C 1 3.936 2 1 -7.31316452944664 5001994 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2CCCC3=CC=CC=C23 1 2.548 2 3 -14.5466210811774 5001940 CN(CC(CC(=O)NC1=NN=CS1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.978 4 3 0 -16.2256649373498 5001831 CC1CC(=NNC(=O)C2=CN=CC=C2)CC(C1)(C)C 1 1.967 3 1 0 -12.2068375784503 5001827 C1=CC=C(C=C1)CC(=NNC(=S)N)CC2=CC=CC=C2 1 3.504 3 0 -3.03528109103873 5001822 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4 1 0.754 3 6 0 -22.3705347213753 5001789 CC1=C(C=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4)S(=O)(=O)N(C)C 1 2.672 3 5 0 -13.9685020166889 5001642 CC(=O)N1CC(C(=N1)C(=O)C2=CC=C(C=C2)OC)C3=CC=CO3 1 1.889 2 4 0 -6.61961696226313 5001633 C1C2CC3CC1CC(C2)(C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)N7C=NC(=N7)Cl 1 3.865 4 1 -4.73633114880948 5001476 CCOC1=CC=C(C=C1)NC(=O)N(C2CCCC2)C3CCN(CC3)C(=O)C 1 2.257 3 3 -7.13554920390988 5001275 CC1(CC(=O)N(C(=O)C1)C2=CC=C(C=C2)C#N)C 1 1.783 2 2 0 -8.49553949908744 5001192 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)NCCOC 1 0.576 4 3 0 -18.9434206118368 5001188 CCCCNC(=O)C1=CC2=C(N1C)N=C3C(=CC=CN3C2=O)C 1 2.036 4 2 -18.2279943084671 5001183 CC1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CNC(=O)C=C3 1 1.739 3 3 0 -16.0949050412416 5001180 CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CNC(=O)C=C3)C 1 1.39 3 3 0 -16.48434029788 5001118 C1COCCN1CCN2CC3=CC(=O)N4C5=CC=CC=C5N=C4C3=C2N 1 1.333 5 2 0 -9.70600684701343 5001117 C1C(=NN=C(S1)NC2=CC=CC=C2Cl)C3=CC=CS3 1 4.341 3 0 -1.19330976312461 5000909 C1CN(CCN1C2=C(C=CC=N2)C(F)(F)F)C3=NC=NC4=C3NC=N4 1 1.803 7 0 0 2.58094948660881 5000908 CC1CC2=CC=CC=C2N1C3=NC=NC4=C3NC=N4 1 1.872 5 0 0 -2.9523850014997 5000906 C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC=NC4=C3NC=N4 1 2.137 6 0 8.50089711054581 5000688 CC1=CC(=C(C(=O)N1CC2=C(C=CC(=C2)C=O)OC)C#N)C 1 2.007 2 3 -10.3035414456623 5000650 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=C(C)C3CCCCC3)C 1 4.549 4 1 -13.650416128777 5000632 CC1(C(=O)NC(=O)N1)C2=CC3=CC=CC=C3C=C2 1 1.778 2 2 0 -2.45752200703609 5000570 CC1=CC=C(O1)C=NNC2=NC(=O)C(=NN2)CC3=CC=CC=C3 1 2.231 5 2 0 -13.2086525374304 5000548 CCCCNC(=O)CSC1=NC2=NN=C(C2=C(N1C3=C(C(=CC=C3)Cl)C)N)C 1 3.697 6 1 0 -18.6942835127091 5000438 C1=CC(=CN=C1)C2=NN(C(=N2)N)C(=O)C3=CC=C(C=C3)Cl 1 2.173 5 1 1.94564122739159 5000420 CCCCCCCC1(C(=O)N(C(=O)N1)CC(=O)NC2=NOC(=C2)C)C 1 2.421 4 4 0 -17.3757670892618 5000326 CC1=CC=CC=C1CN2C(=CC(=C(C2=O)C#N)C)C 1 2.751 2 1 -5.12544100845794 5000221 C1C(N(N=C1C2=CC=CS2)C(=O)CSC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)F 1 5.594 3 1 -7.64464594648556 5000207 C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C(=O)C4=CC=CO4 1 0.702 4 6 0 -20.7284754260607 5000185 C1CCN(CC1)CCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3 1 2.269 3 2 -6.4881217225952 4999824 C1C(C2COC(C1=NNC(=S)N)O2)N3C(=S)N(N=N3)C4=CC(=CC=C4)Cl 1 3.317 7 2 0 -3.31867379651787 4999791 CCOC1=CC=CC=C1NC(=O)CN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43 1 2.348 4 4 0 -12.4915053507069 4999755 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCC3)C(=O)NC4=CC=C(C=C4)F 1 2.693 4 3 0 -20.1238724110024 4999578 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.689 4 3 0 -18.4057961971953 4999569 CC1=CC(=C(C=C1)O)C(CC(=O)N2CCCC2)C3=CC=CC=C3 1 3.724 1 2 -5.83445106036601 4999481 CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC=CC=C3)NC4=CC=CC=N4 1 4.449 3 1 9.95782800524512e-002 4999449 CC(C)N1C(SCC1=O)C2=CC=C(C=C2)Br 1 3.137 1 1 -8.64642106617105 4999359 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CC=CC=C3OC(F)F 1 4.442 1 2 -5.74464788577045 4999294 CC1=CC(=C(C=C1)OC)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)N4CCCCC4)C 1 2.957 4 4 0 -23.329972916211 4999266 CCOC(=O)C1=C(ON(C1C2=CC=CC=C2)C)C3=CC=CC=C3 1 3.043 1 3 -7.96929705044904 4999239 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2(CC2(Cl)Cl)C)C 1 2.91 1 5 -8.64277911958811 4999201 CCN(CC)C(=O)CC(C1=CC=C(C=C1)OC(C)C)C2=CC=C(C=C2)F 1 4.632 1 2 -8.52858253635674 4999081 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C 1 2.174 6 5 0 -21.553273416918 4998861 CC1=NN(C(=O)C1=C(C)C)C2=CC=CC=C2 1 2.449 2 1 -4.0823292045215 4998772 CC(CCC1=CC=CC=C1)NC(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 2.771 3 3 -11.7028801807991 4998739 C1=CC=C(C=C1)C2=CC=CC=C2OCCCCN3C=CN=C3 1 3.716 2 1 5.47998842824638 4998728 CCC(C(=O)OCC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)OC)OC 1 1.754 4 6 0 -22.6164228071447 4998563 CC1=C(C=C2C(=C1)C(=O)C3=C(O2)C(=O)N(C3C4=CC=C(C=C4)F)CCCN5CCOCC5)C 1 3.424 2 4 -8.79322520044593 4998561 CC1=C(C=C2C(=C1)C(=O)C3=C(O2)C(=O)N(C3C4=CC=C(C=C4)C(C)C)CCCN5CCOCC5)C 1 4.413 2 4 -9.22164252925955 4998498 CNC(=O)CSC1=NC(=C2C3=C(CCC3)SC2=N1)N 1 1.954 4 1 0 -14.9528298329528 4998334 CCNC(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)CCC3=CC=CC=C3 1 3.124 2 2 -16.8071686629654 4998204 CN(C1=CC=CC=C1)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 2.478 2 4 -12.7142718929394 4998064 COC1=CC=CC=C1C(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.037 3 4 0 -10.1864499702489 4998010 CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)C1)C 1 1.474 4 3 0 -23.3217215162873 4997972 CC1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.612 2 3 -14.8008780373227 4997967 CC1CCCN(C1)C(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.68 2 3 -12.4543066843661 4997938 CC1=NN2C(=C(SC2=N1)C(C3=CC(=C(C=C3)OC)OC)N4CCN(CC4)CC5=CC=CC=C5)O 1 3.988 5 3 0 -3.15859288332353 4997653 CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3)C 1 3.325 2 3 -22.0133167011588 4997638 C1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.36 2 3 -12.4230966127852 4997595 CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCC(C2)CC=C 1 3.371 2 2 -8.39496292349176 4997575 CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3 1 2.194 4 4 0 -27.0377950817224 4997479 C1CCC(C1)NS(=O)(=O)C2=CC=CC=C2Br 1 2.891 1 2 -8.18705000897706 4997409 COC(CNC(=O)C1=COC2=NC3=CC=CC=C3N=C12)OC 1 1.371 3 4 0 -11.598390267531 4997386 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NN=CC3=CC=CC4=CC=CC=C43 1 4.36 3 3 -6.94210272614183 4997326 CCCCS(=O)(=O)NC1=NCN(CN1)CCOC(=O)C2=CC=CC=C2 1 1.959 4 4 0 -14.0307252265296 4997267 CCC(C)N1C(=O)C2=C(C=CS2)N=C1SCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 3.109 4 4 0 -32.2039855608778 4997264 CCC(C)N1C(=O)C2=C(C=CS2)N=C1SCC3=CC=CC=C3 1 5.023 2 1 -20.0258052608815 4997143 C1=CC=C2C(=C1)N=C(O2)NN=CC3=CC=C(C=C3)Br 1 3.627 3 1 2.92556997292739 4997142 CC1=CC(=C(O1)C)C(=O)NNC2CC(=O)N(C2=O)C3=CC4=CC=CC=C4C=C3 1 1.545 3 4 0 -8.91686401874244 4997099 CC(=NNC(=O)COC1=CC=C(C=C1)OC)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.668 4 6 0 -8.61090079205008 4996980 CN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC 1 0.689 4 5 0 -17.6064673969723 4996861 CCCCCCCCCCCNC(=O)C1=C(OC=C1)C 1 4.809 1 2 -9.04253080088555 4996804 CC1=C(N=C(S1)NC(=O)C)C2=CC3=C(C=C2)N(CC3)C(=O)C4CC4 1 2.198 3 2 -15.1047849455312 4996791 CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(S2)Cl)C(=O)O)C 1 2.378 1 4 -11.7147989584294 4996782 CC1CN(CC(O1)C)C(=O)COC(=O)CSC2=C(C=CC(=C2)C)C 1 2.759 1 4 -16.3595615733127 4996777 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)N=C=S 1 2.89 2 2 -9.79955651606982 4996772 CCOC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC 1 2.799 3 4 0 -8.50759798144177 4996386 CC1=CC=C(C=C1)NC(=O)CC(C2=CC=C(C=C2)OC)NC(=O)C(F)(F)F 1 3.428 2 3 -9.49684706048997 4996359 CCOC1=CC=C(C=C1)NC(=O)NCCCCC2=CC=CC=C2 1 4.095 2 2 -9.04071481169565 4996252 CSCCC(C(=O)O)N=C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br 1 3.491 2 4 -12.0717157735711 4996249 CC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl 1 1.216 2 5 0 -7.08858305425679 4996244 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)NC(=O)C4=CC=CC=C4Br 1 3.684 3 5 0 -7.44090214156264 4995997 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CC=C4Cl)C(=O)OC 1 2.595 4 3 0 -16.9529009056126 4995974 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C 1 3.179 2 5 0 -5.87391935505379 4995910 CC(C1=NNC(=S)N1C2=CC=C(C=C2)F)N3CCCCC3 1 3.627 4 0 -5.72544562786589 4995905 CC1CC(CN(C1)S(=O)(=O)C2=CN=C(C=C2)NN)C 1 0.529 4 2 0 -14.3464048209883 4995824 CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)NC(=O)C3C4CCC(C3C(=O)O)O4 1 2.814 3 4 0 -4.86278143216568 4995823 CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=O)C3CC3 1 3.239 3 1 -7.92631888018518 4995643 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3F)C4=CN=CC=C4 1 1.813 5 3 0 -23.2417875752413 4995551 CCN1CCN(CC1)C(C2=CC=C(C=C2)Cl)C(=O)NC3CCCC3 1 3.471 3 1 -7.12047292132636 4995483 CC1=CC=CC=C1NC(=S)NN2C=NN=C2 1 2.122 5 0 -7.76937879818672 4995092 CN1C(=NN=N1)SCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 0.329 6 4 0 -32.8612774236972 4995082 CC(C(=O)NCCOC)OC1=C(C=C(C=C1)Cl)Cl 1 2.555 1 3 -10.9574227223193 4994889 CCCS(=O)(=O)NCCC1=CC2=C(C=C(C=C2)OC)NC1=O 1 1.307 2 4 0 -10.8579954288571 4994639 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 1.88 2 8 0 -21.0271982623312 4994637 CC(C(C1=CC=CC=C1)N2CCN(CC2)C)NC(=O)C3=CN=CC=C3 1 1.973 4 1 0 -8.9613131820628 4994563 C1CCN(CC1)CC2=NNC(=S)N2C3=CC=C(C=C3)F 1 3.143 4 0 -3.10252115532375 4994562 C1CCN(CC1)CC2=NNC(=S)N2C3=CC=C(C=C3)Cl 1 3.601 4 0 -1.99239949020219 4994561 C1CCN(CC1)CC2=NNC(=S)N2CC3=CC=CC=C3 1 2.944 4 0 -2.97997136153045 4994387 CC(C)CC(C(=O)O)NC(=O)C1=CC=C(C=C1)Cl 1 2.899 1 3 -14.1196295006943 4994275 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CNC4=CC=CC=C43 1 2.284 5 1 -5.8465364591497 4994208 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C34CC5CC(C3)CC(C5)(C4)Br 1 2.922 3 4 0 -16.8387123830807 4994172 C1C2CN(CC1C3=CC=CC(=O)N3C2)C4=C(C=C(C=C4)C(=O)NC5=CC=C(C=C5)Cl)N 1 2.573 4 2 -6.06682242082139 4994109 CC(C)(CC1=NC2=CC=CC=C2N1)C(=O)O 1 2.331 2 2 -1.87698217162949 4994083 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NC(=NO3)C4=CC=C(C=C4)Cl 1 3.263 3 3 3.43779770491261 4994082 CC1CCN(CC1)C(=O)C2=CC3=C(CC(CC3=O)(C)C)N(C2=O)C4=CC=CC=C4OC 1 3.01 2 4 -22.13762462801 4993979 CC(=O)NC1=CC=CC=C1C(=O)C(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3 1 0.722 3 5 0 -16.9892773938578 4993844 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)OC(F)F 1 1.223 4 6 0 -9.85741313130505 4993832 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)COC3=CC=C(C=C3)Cl 1 2.778 3 5 0 -15.7688535249688 4993758 CC(C)CCCCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 4.722 3 3 -32.1014650338405 4993746 COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3CCN(CC3)CC4=CC=CC=C4)OC 1 3.803 3 3 -6.46307876310876 4993733 CC1=CC(=NN1CCCC(=O)NC2=NOC(=C2)C)[N+](=O)[O-] 1 1.403 5 4 0 -25.5082782054361 4993583 CC1CCCCN1C(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl 1 3.562 3 3 -5.8504258280263 4993513 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 4.723 3 3 -4.24997974117843 4993461 CC1=CC(=C(C=C1)C)OCCCCCN2C=CN=C2 1 3.626 2 1 4.61759737034932 4993445 CC1=C(C2=NSN=C2C=C1)NC(=O)CC3=CC=C(C=C3)Cl 1 3.928 3 1 -3.53265824166049 4993441 CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)OC)C(=S)N 1 2.3 5 2 0 3.23910462495704 4993406 C1=CC=C2C(=C1)S(=O)(=O)N(S2(=O)=O)NC(=O)C3=CC=C(C=C3)Br 1 1.85 2 5 0 -4.37036044622675 4993378 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CNC5=CC=CC=C54 1 5.362 3 2 -14.7474608454136 4993354 CC1=C(N2C=CC=CC2=N1)C(=O)NN=C(C)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.009 5 3 0 -10.0181557157747 4993173 C1CN(CCN1C2=CC=C(C=C2)F)C(C3=CC=CS3)C4=C(N5C(=NC=N5)S4)O 1 4.312 5 1 -0.705926113400371 4993077 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 2.326 2 4 -6.39827925137522 4993056 CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)OCC(=O)NC4CCS(=O)(=O)C4 1 2.336 1 8 0 -22.0142221423571 4992978 CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=COC=C4 1 2.8 8 3 0 -26.1338957907999 4992862 C1CCN(C1)CC2=NNC(=S)N2CC3=CC=CC=C3 1 2.488 4 0 -2.62550284736237 4992835 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NCCCN3CCCCC3C 1 2.875 3 3 -14.4849343853316 4992828 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.42 3 3 -3.89192224167486 4992813 COC1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-] 1 3.821 2 4 -4.24590235517208 4992805 CN(C(C1=CC=C(C=C1)OC)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CC4=CNC5=CC=CC=C54 1 3.679 3 5 0 -11.0073535913655 4992784 CC(C)CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)O)[N+](=O)[O-] 1 1.85 2 6 0 -15.5515375871184 4992762 CCC(C)(C(=O)NC1CCCC1)N(C2=CC=CC=C2)C(=O)C3=NC=CN=C3 1 2.729 4 2 -16.9039229811847 4992717 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C 1 2.632 3 6 0 -17.7068132525821 4992464 CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(O3)[N+](=O)[O-])C 1 4.427 2 6 0 -14.01986276567 4992270 CCOCCCNC(=O)C(C1=CC=C(C=C1)OC)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=N4 1 2.916 3 6 0 -17.5640861333035 4992267 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(=O)CNC(=O)C3=CC=CC=C3)C4(CCCCC4)C(=O)NC5CCCC5 1 3.363 5 4 0 -27.8433322320099 4992171 CC1=CC(=C(C=C1)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 3.417 2 4 -2.00608491552029 4992159 C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C(=O)O 1 3.642 2 2 -5.70887349207879 4992071 C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=C(C=N4)Cl)Cl 1 3.93 2 3 -4.43262139541656e-002 4992069 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3 1 3.41 2 3 -7.72337666795048 4991943 CCC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)N 1 1.438 3 4 0 -19.5937121050555 4991839 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CN2C 1 3.074 2 3 -13.8363344299703 4991815 CCC1=CC=CC=C1NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)F 1 4.454 2 2 -3.41232971307382 4991806 CC1=CC=C(O1)CNC(=O)C2=CN(C(=O)C3=C2C4=CC=CC=C4N3C)C 1 1.802 3 3 0 -11.0631563657794 4991653 C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2CC4=CC=CC=N4)SC=C3)C#N 1 4.3 4 1 -24.2812296554167 4991417 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C 1 2.494 2 6 0 -17.8614135200313 4991195 CCOC1=C(C(=CC(=C1)C=NO)Br)OCC(=O)NCC2=CC=CC=C2 1 3.364 2 4 -10.3351146993471 4991188 CCOC1=C(C2=CC=CC=C2C=C1)C3C(=C(N(C(=S)N3)C)C)C(=O)OCC 1 4.478 2 3 -14.2516435659278 4991108 CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C 1 2.122 3 3 -27.1119447544955 4991000 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(S4)Br 1 2.61 2 4 -9.76730270810277 4990949 C1C=CCC(C1C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C(=O)O 1 4.041 1 4 -8.71699483894579e-002 4990600 C1=CC=C(C=C1)CONC(=O)C2=CC=C(C=C2)Cl 1 3.131 1 2 1.34579889459651 4990551 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC 1 2.394 2 5 0 -22.4154275003615 4990508 CCC1=CC(=CC=C1)NC(=S)N(CCN(C)C)C2CCN(CC2)C(C)C 1 4.966 4 0 -7.70645026986715 4990217 CC1=CCC(CC1=NNC(=O)C2=C(OC=C2)C)C(=C)C 1 2.844 2 2 -5.09932333004321 4990173 CCOC(=O)C1=C(N(C2=C(C1C3=CN=CC=C3)C(=O)CCC2)C4=CC=CC=C4)N 1 2.782 3 3 -22.5496492398937 4990163 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCC(=O)C3=CC(=CC=C3)Cl 1 2.82 2 4 -11.9831321945142 4990145 COC1=CC=CC(=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.386 1 4 -5.74461534256294 4990101 CCC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=C(C=C2)C)C3=CC=C(C=C3)F 1 2.935 3 3 -10.2686593514676 4990038 C1CC2=C(C(CC(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)C5=CSC=C5)C(=O)C1 1 4.135 3 2 -21.7004344744692 4989943 CC(C(=O)OCC(=O)N1CCCCCC1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl 1 2.9 2 5 0 -17.2052435519066 4989913 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)N 1 2.858 3 2 -2.53379484392327 4989910 COC1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3 1 1.673 2 4 0 -12.3980517936869 4989907 CCOC(=O)C1=C(N=C2N(C1C3=C(C=C(C=C3)OC)OC)C(=O)C(=CC4=C(C(=CC=C4)[N+](=O)[O-])O)S2)C 1 4.072 3 8 0 -23.4130210702797 4989880 CN(C(C1=CC=C(C=C1)OC)C(=O)NC2=CC=C(C=C2)OC)C(=O)CC3=CC=CS3 1 3.554 2 4 -12.4148222258454 4989817 CC(=NNC(=O)CC1=CC=CC=C1)CC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.319 3 2 -4.84010919064211 4989776 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)N4CCOCC4 1 0.601 4 3 0 -16.8147664159073 4989645 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 2.173 2 6 0 -18.4566790984603 4989611 C1C(C2COC(C1=NNC(=S)N)O2)N3C(=NN=N3)C4=CC=CC=C4Cl 1 1.489 7 2 0 -12.2801013973181 4989567 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F 1 4.124 4 5 0 -34.6394610050043 4989413 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC(CC(=O)O)C4=CC=C(C=C4)Cl 1 4.304 1 4 -7.88066865218494 4989294 CC1=C(C=CC(=C1)N=NC2=CC=CC=C2OC)N 1 3.922 3 1 9.39720524854036 4989136 C1=C(SC(=C1)Br)C(=O)NCCCCCCNC(=O)C2=CC=C(S2)Br 1 4.492 2 2 -7.93074251367371 4989074 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C 1 3.428 3 4 0 -28.0286112425271 4989028 CCOC(=O)CC(C1=CC=C(C=C1)C)NC(=O)C2=CC=CS2 1 3.393 1 3 -11.5120945682695 4989025 CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=CC4=CC=CC=C43)C 1 3.812 1 2 1.32427249206525 4988904 C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C4=CC=CC=C4N=C3CC5=CC=CC=C5 1 3.922 3 3 -13.944446595373 4988884 CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CC(OC(C2)C)C)OCC 1 2.058 1 6 0 -20.9143027639833 4988879 COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC3 1 2.189 2 3 -5.77842454493618 4988858 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)N(CCO)CC3=CC=CC=C3 1 3.069 3 4 0 -22.6914713259759 4988767 CC(CNC1=NC2=CC=CC=C2N1CC(=O)N3CCN(CC3)CC4=CC=CC=C4)O 1 2.074 5 2 0 -5.90272293461439 4988789 CC1C(N(C2=CC=CC=C12)NC(=O)CC3=CC=CC=C3)C 1 3.649 2 1 -5.6087503060726 4988738 CC1=C(C(=NO1)C)S(=O)(=O)NCC2=CC(=CC=C2)Cl 1 1.871 2 3 0 -2.18396370631914 4988139 CCOC(=O)C1=C(NC2=NC(=S)NN2C1C3=CC=C(C=C3)Cl)C 1 3.142 4 2 -15.6869380800481 4988117 C1CN(CCN1C2=CC=CC=N2)C(=O)CCSCC3=CC=CC=C3Cl 1 3.574 3 1 -8.40559074535238 4988116 COC1=CC(=C(C=C1)CNC(=O)CCSCC2=CC=CC=C2Cl)OC 1 3.901 1 3 -15.8033172278919 4988114 C1=CC=C(C(=C1)CSCCC(=O)NCC2=CC=CO2)Cl 1 3.116 1 2 -16.6550478158327 4988112 C1=CC=C(C(=C1)CSCCC(=O)NCC2=CC=CS2)Cl 1 3.674 1 1 -17.3498129834672 4988046 COC1=CC(=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2)OC 1 2.777 2 3 -13.1042282894005 4987933 CN(C1CCS(=O)(=O)C1)C2=NC=NC(=C2[N+](=O)[O-])N 1 -0.673 5 4 0 -12.1484654397599 4987932 CC(=NNC(=O)COC1=CC=C(C=C1)C#N)C2=CC=C(C=C2)N3CCOCC3 1 2.228 4 3 0 -10.02965878123 4987931 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)C4=NC=CN4C 1 4.61 4 2 -12.6041066890298 4987742 C1=CC=C(C(=C1)CSCCC(=O)NCC2=CC=CS2)F 1 3.215 1 1 -17.5685952851286 4987698 C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC(=CC=C5)O 1 2.565 2 6 0 -15.6694541674993 4987607 COC1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C6=NC(=NN6C=N5)C7=CC=CO7 1 5.432 4 3 0 -3.39382097446828 4987568 CCCCC(CC)C(=O)NC1=CC(=C(C=C1)C)O 1 4.148 1 2 -5.84352656232179 4987533 CSCCC(C(=O)OCC1=CC=CC=C1Cl)NS(=O)(=O)C2=CC=CC=C2F 1 3.713 1 4 -18.4241557663811 4987455 C1CCC(CC1)C=NNC(=S)NCCC2=CC=CC=C2 1 4.49 3 0 -8.48630751202466 4987441 CCCCC(=O)NC1=CC=CC(=C1)C(=O)NN=CC2=C(C=C(C=C2)OC)OC 1 3.35 3 4 0 -12.1523625795733 4987416 CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)OC(=O)C4=CC=C(C=C4)S(=O)(=O)NC5=CC=CC=C5Cl 1 5.445 2 7 0 -17.5128556079343 4987412 C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=C(C=NC=C2)[N+](=O)[O-] 1 1.147 5 7 0 -8.28898895617043 4987371 CC(C1CC2CCC1C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.23 1 4 -11.2617542290803 4987317 CC1=CC=C(C=C1)C2C3=C(C(=O)N2CCCN4CCOCC4)OC5=CC(=C(C=C5C3=O)C)C 1 3.705 2 4 -9.69339882024499 4987233 CCOC(=O)C(C(=O)OCC)NC(=O)C1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C 1 1.285 2 7 0 -14.6656738708288 4987134 CC(C)OCC(CSC1=CC=CC=N1)O 1 1.845 1 2 0 -7.30065432582811 4987114 COC(=O)C1=CC=C(C=C1)CC(=O)C2=NC3=CC=CC=C3S2 1 3.614 1 3 -3.19252780280368 4987031 C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(O3)C4=CC=CS4 1 3.95 2 1 -7.42678199968598 4987020 CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)Cl)C(=O)O1 1 3.716 2 2 -17.5436578988732 4986988 CCN1CCN(CC1)CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O 1 3.18 2 2 -7.86162255378944 4986902 CSC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(S4)Cl 1 4.819 3 1 -1.47697437041072 4986796 C1COCCN1CCNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCOCC4 1 -0.988 4 6 0 -27.1236812028274 4986793 COC1=CC=C(C=C1)CN2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC(=C(C=C5)O)OC 1 3.666 1 6 0 -5.17560352397025 4986684 CCC(C)(C)C1=NN=C(S1)NC(=O)CCC2CCCCC2 1 4.515 3 1 -13.1081387240769 4986678 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 2.548 3 5 0 -5.31430747486508 4986604 CC(C)CCNC(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)SC=C2 1 4.39 3 3 -34.9794364046289 4986557 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=NC3=CC=CC=C3C=C2 1 2.541 3 4 0 -14.7554146840396 4986508 CC1CCCC(N1C(=O)C2=NN3C=C(C=NC3=C2)CCCl)C 1 2.539 4 1 -8.92739363170039 4986505 CCOC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.503 2 6 0 -19.2513178198445 4986490 COC1=CC=C(C=C1)N(CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC=CS5 1 4.409 2 4 -7.40515998313559 4986419 CC1=CC(=CC=C1)CSC2=NCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 3.495 3 3 -15.8032682334848 4986340 CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=O)C(C)(C)C 1 3.179 2 2 -15.4321813602635 4986309 CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC3=C(C=C2)OCCO3 1 2.03 2 5 0 -12.9181074097474 4986242 CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 2.199 5 1 -17.5220467085873 4986202 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)C 1 2.991 2 3 -2.41395347834196 4986185 CC1=C(N2C=CC=CC2=C1)C(C[N+](=O)[O-])C3=CC=C(C=C3)OC 1 3.998 2 3 -4.11292190283331 4986167 COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)S2)CC(=O)OC 1 4.279 3 6 0 -25.7678511708942 4986031 CC1=CC(=C(C=C1)NC(=O)COC(=O)CN2C=NC3=CC=CC=C32)[N+](=O)[O-] 1 2.275 4 5 0 -12.3891839296903 4985966 C1CCN(CC1)C(C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)OCCO4 1 3.583 2 3 -11.3408148354333 4985864 COC1=C(C=C(C=C1)Cl)NC(=O)NCCCl 1 2.259 2 2 -8.65113033196925 4985792 COC1=CC(=CC2=C1OCO2)C=NNC(=O)C3=CC=CC=N3 1 1.713 3 4 0 -8.79528797443052 4985772 CC1=CC=CC=C1OCC2=CSC(=N2)N 1 2.349 2 1 1.84022879773463 4985764 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CCl 1 0.137 3 5 0 -19.6461893671206 4985633 CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)NCCCOC 1 1.632 2 2 0 -8.00267972340249 4985598 CC1=NN(C2=C1C=C(S2)C(=O)O)CC3=CC=C(C=C3)Cl 1 3.671 2 2 -5.90101067007528 4985561 CC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C 1 1.576 2 3 0 -17.4361414920966 4985406 CCN(CC)CCCNC(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O 1 -1.956 4 5 0 -12.5043142237329 4985326 CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2(CC2(Cl)Cl)C)[N+](=O)[O-] 1 2.296 2 6 0 -8.17952159741769 4985275 CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)Br)C(=O)N4CCOCC4 1 4.555 3 2 -16.7252322944179 4985053 CC(C)CC(=O)NC1=CC=C(C=C1)NCC2=CC(=C(C=C2)OCC=C)OC 1 4.301 2 3 -18.9177745556518 4985035 COC1=CC=CC(=C1)CNC(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3F 1 5.193 3 2 -15.193944556086 4985034 C1=CC=C(C=C1)CNC(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3F 1 5.209 3 1 -15.7826693456395 4985033 C1=CC=C(C=C1)CN(CC2=CC=CC=C2F)C(=S)NCC(=O)NCCC3=CC=C(C=C3)Cl 1 6.195 3 1 -12.2612707763591 4985032 C1=CC=C(C=C1)CN(CC2=CC=CC=C2F)C(=S)NCC(=O)NCC3=CC=C(C=C3)Cl 1 5.873 3 1 -12.8528242882248 4985031 C1=CC=C(C=C1)CCNC(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3F 1 5.53 3 1 -15.1911158337737 4985029 CC1=CC=C(C=C1)CNC(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3F 1 5.695 3 1 -14.6748229788116 4985028 CN(C)CCNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CC=CC=C2F 1 3.764 4 1 -12.406438571779 4984950 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.625 3 2 -3.76602385397173 4984577 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=O)NC3CCCCC3 1 3.275 3 4 0 -12.9390788053614 4984283 CCN(C1=CC=C(C=C1)NC(=O)CN2C(=O)C3(CCOC4=CC=CC=C43)NC2=O)C(C)C 1 2.465 4 4 0 -10.4914738276827 4984282 CC1=CC(=C(N1C)C)C(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 2.561 3 3 -4.87416693233475 4984267 C1=CC(=NC(=C1)COC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=C(C=C3)[N+](=O)[O-] 1 4.032 3 6 0 -2.41058364475058 4984233 CC1=C(C2=NSN=C2C=C1)NC(=O)C3=CC(=CN=C3)Br 1 2.826 4 1 -3.39356501774257 4984226 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=C(CCC(=O)O)C3=CC=CS3 1 1.927 4 7 0 -21.1226423805323 4984225 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(N=CC=C2)Cl 1 1.161 3 5 0 -14.4782075573644 4984217 CC1=C(C=NN1C)C2C(=C(OC3=C2C(=O)CCC3)N)C#N 1 0.648 4 2 0 -15.5123759748591 4984195 CC(=NNC(=O)COC1=CC=C(C=C1)Br)CC(=O)NCCC2=CC=CC=C2 1 2.867 3 3 -10.3851846878429 4984162 CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O)C(=O)C 1 3.044 1 6 0 -12.2934674227324 4984118 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(S3)NC(=O)C4=CC5=CC=CC=C5C=C4 1 4.453 4 2 -20.1588780543887 4984084 C1=CC(=C(C(=C1)Cl)NC(=O)C2=NOC(=C2)C3=CC=CO3)Cl 1 4.031 2 3 -1.92816548161649 4984061 CC1=C(C(N2C(=O)CSC2=N1)C3=CC=C(C=C3)O)C(=O)NC4=CC=CC=C4 1 2.894 3 3 -23.8310498496057 4983876 CN1C2=C(C=C(C=C2)OC3=CC=CC=C3)C=C1C(=O)O 1 3.81 1 3 4.74295382718241 4983871 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CS3)N4CCCCC4 1 4.118 3 4 0 -9.6382836081982 4983788 CNC(=S)N1CCN2C=CC=C2C1C3=CC(=C(C(=C3)OC)OC)OC 1 3.643 3 3 -17.5477268567337 4983787 CSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4 1 3.942 4 1 -14.4318438430313 4983699 CCN(CC)C1=C2C(=C(SC2=NC(=N1)C)C(=O)N3CCCC(C3)C(=O)OCC)C 1 3.469 4 3 0 -18.9307837656578 4983647 CC(C)C(=O)NCCC1=CC2=C(C=C(C=C2)OC)NC1=O 1 1.774 2 3 0 -13.2684579635032 4983622 CC12CCCC3=C1N(C4=CC=CC=C24)C(=CC3=O)O 1 3.36 1 2 -1.15876650554887 4983606 CC1=C(C=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NCCC2=CCCCC2)C 1 3.589 2 4 -18.0150998417801 4983602 CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)C 1 2.77 4 4 0 -19.428801290327 4983593 CC1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C 1 4.929 1 3 -15.2456440554423 4983517 CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)O 1 1.906 2 3 0 -8.74545457750016 4983480 CC(=O)NC1=CC(=C(C=C1)NC)[N+](=O)[O-] 1 0.653 3 3 0 -8.7928502803251 4983475 COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C3CC3)[N+](=O)[O-] 1 1.856 4 5 0 -14.1828545934384 4983468 CC1=CC(=C(C=C1)C)N(CC(=O)NN=C2CCN(CC2)C)S(=O)(=O)C3=CC=CC=C3 1 2.696 4 3 0 -13.8130395460863 4983441 CC1=C(C(=CC=C1)NC(=O)CN2C(=C(C=C2C3=CC=CC=C3)C(=O)C)C)C 1 4.433 2 2 -5.83450341881046 4983440 CC1=C(C=C(N1CC(=O)NC2=C(C=C(C=C2)OC)OC)C3=CC=CC=C3)C(=O)C 1 3.428 2 4 -11.2635880782606 4983437 CC1=C(C=C(N1CC(=O)NC2CCCCC2)C3=CC=CC=C3)C(=O)C 1 3.742 2 2 -9.95591341078394 4983436 CC1=C(C=C(N1CC(=O)NC(C)(C)C)C2=CC=CC=C2)C(=O)C 1 2.815 2 2 -12.5870031407597 4983363 CC1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CCCCC3 1 2.138 3 3 -20.1237640358169 4983382 C1CN(CCN1CC2=CC=CC=C2)C(C3=CC(=CC=C3)F)C4=C(N5C(=NC=N5)S4)O 1 4.27 5 1 -1.15998707117725 4983381 CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)CSC(C2=O)C 1 0.984 2 4 0 -14.0699868680984 4983333 CC1CCCCN1C(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 1.734 3 4 0 -15.3520358200438 4983328 C1CC(C2=CC=CC=C2C1)NC(=O)CNS(=O)(=O)C3=CC=C(S3)Br 1 2.754 2 3 -12.1770061258677 4983293 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl 1 3.881 5 3 0 -19.8899592499849 4983290 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=CC=C4 1 4.139 1 4 -11.0285478786956 4983180 COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)OC 1 3.51 3 4 0 -19.2284150784342 4983108 C1C2=CC=CC=C2C(=N)N1C3=NC=CC=N3 1 1.371 4 0 0 -2.19188944978114 4983071 CCC1=CC(=CC=C1)NC(=O)CN2C(=C(C=C2C3=CC=CC=C3)C(=O)C)C 1 4.403 2 2 -5.9429588180601 4983070 CC1CCN(CC1)C(=O)CN2C(=C(C=C2C3=CC=CC=C3)C(=O)C)C 1 3.259 2 2 -11.4795196318435 4982990 C1=CC=C(C=C1)C(=NNCCC#N)CC2=NC3=CC=CC=C3N2 1 2.938 5 0 -5.00774075603884 4982980 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C 1 2.649 3 6 0 -18.6061791256373 4982922 CC(C)CC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)F 1 3.162 2 2 -18.7168980202566 4982825 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Cl)C 1 3.352 5 4 0 -20.552939877435 4982800 CC(C)CN1C2=C(C(=O)CN2)C(=O)N(C1=O)C 1 0.18 3 3 0 -12.2335069255787 4982645 C1=CC=C2C(=C1)NC(=N2)CC(=O)C3=CC=C(C=C3)Cl 1 3.855 2 1 0.568438963228101 4982469 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NNC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.795 3 6 0 -15.7758061980793 4982468 C1COCCN1CCC(=O)NNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 -4.9e-002 5 5 0 -10.4811222846361 4982464 COC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)NC(=O)C4=CC=CO4 1 2.522 4 7 0 -13.2607317967571 4982462 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC=C3O)[N+](=O)[O-] 1 4.327 3 4 0 -9.78525113681941 4982458 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 3.097 4 5 0 -8.27635407371999 4982453 C1CN(CCN1CCC(=O)NNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3 1 1.805 6 4 0 -5.76435109838395 4982437 CC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O 1 3.146 2 4 -3.69193004179495 4982412 COC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.672 3 6 0 -8.99159410551846 4982397 COC1=CC=CC=C1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O 1 2.285 2 5 0 -6.74927275809546 4982384 C1CC2CC(CC(C1)C2=O)C(=O)NNC3=CC=C(C=C3)[N+](=O)[O-] 1 2.58 3 4 0 -3.1771452357342 4982375 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=O)NN2 1 0.359 3 3 0 -3.98900144024891 4982368 CC(C(=O)NNC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)OC2=C(C=C(C=C2)F)F 1 2.388 4 6 0 -13.7541467802924 4982354 CC1=C(SC=C1)C(=O)NNC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC 1 2.097 4 5 0 -14.258808691929 4979289 CCCC(=O)N(CC1=CC(=O)NC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 3.229 2 3 -13.749184744422 4979266 CC1=CC=C(O1)C2C(=C(OC3=NNC(=C23)C4=CC(=CC=C4)OC)N)C#N 1 2.968 4 3 0 -6.99641711380569 4978624 CC1=CC(=CC=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCN(CC3)C 1 2.316 7 2 0 5.45025264391465 4978215 CC1CCCN(C1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-] 1 2.298 6 3 0 -2.13691976779113 4977668 CCCN1C2=C(C=C3C=CC(=CC3=N2)C)C(=N1)NC(=O)C4CCCO4 1 3.416 4 2 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CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC3=NC=NC4=CC=CC=C43 1 1.836 4 5 0 -20.6653186689042 4968104 CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2C)CCC(=O)NCCCN5C=CN=C5 1 3.982 3 4 0 -15.3708879589538 4968052 CC1=C(C(=O)OC2=CC3=C(CCC(O3)(C)C)C=C12)CC(=O)NCCCOC 1 2.577 1 5 -18.4526993973514 4968036 C1=CC=C(C=C1)C(=NNC(=O)C2=CN=CC=C2)CC3=NC=CN3 1 1.506 5 1 0 -9.79094147546816 4968035 COC1=CC(=CC(=C1OC)OC)C(=O)NN=C(CC2=NC=CN2)C3=CC=CC=C3 1 2.607 4 4 0 -12.1670656721119 4968034 C1=CC=C(C=C1)C(=NNC(=O)C2=CC=NC=C2)CC3=NC=CN3 1 1.506 5 1 0 -8.96985518199578 4968024 C1CC2C(CC3=CC=CC=C3N2C1)C(=O)O 1 2.332 1 2 -2.52866419150749 4968022 CC1=C(C(=O)OC2=CC3=C(CCC(O3)(C)C)C=C12)CC(=O)NCCCO 1 2.169 1 5 -13.8341707814031 4968014 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCCCN3CCCC3=O)C)C4=C1C(=CO4)C 1 2.541 2 5 0 -26.2155240376069 4968013 COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C=CC=CC3=O)OC 1 0.773 2 4 0 -17.9196852414818 4968001 CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F 1 2.609 3 5 0 -28.0535517074524 4968000 CC(=O)C(CC1=CC=CC=C1)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.283 2 4 -5.60372057881019 4967986 CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCC4=CC=C(C=C4)OC)(C)C 1 4.053 1 6 0 -15.3226177517992 4967967 CC(C)C1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 4.618 1 5 -21.4528030777781 4967964 CC(C(=O)NCC1=CC=CC=C1)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.2 3 3 0 -10.4169449440577 4967908 C1CCCC(CCC1)NC(=O)COC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.405 3 5 0 -17.0225716025546 4967902 CC1=NN=C(N1C)SC(C)C(=O)NC2=CC3=CC=CC=C3C=C2 1 2.773 4 1 -8.92706768472971 4967819 CCN(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)CC(=O)NC3=CC(=CC=C3)OC 1 1.503 4 5 0 -19.112666063993 4967864 CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NC4CC4)(C)C 1 2.976 1 5 -14.2823112044097 4967859 COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCC3=CC4=C(C=C3C2)OCCCO4)C(=O)OC 1 2.173 2 7 0 -15.6947596228547 4967853 CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCCN4CCOCC4)(C)C 1 2.312 2 6 0 -17.4566207114947 4988449 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CC4=CC=CC=C4C=C3O 1 3.502 2 7 0 -10.1957837359778 4988289 COC1=CC=C(C=C1)CC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)C6=CC=CC=C6C=C5)C7=CC(=C(C=C7)OC)OC 1 6.039 4 4 0 -13.1539275762891 4988277 CC1=C(C(=NN1CCCC(=O)NC2=C(N=CC=C2)Cl)C)[N+](=O)[O-] 1 1.731 5 3 0 -12.4102436996456 4988268 CC1=CC(=NN1CCCC(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.477 4 3 0 -20.3918938859806 4988266 CC1=CC(=NN1CCCC(=O)NC2=C(C(=CC=C2)Cl)C)[N+](=O)[O-] 1 3.415 4 3 0 -14.8535521743959 4988265 CC1=CC(=NN1CCCC(=O)NC2=C(N=CC=C2)Cl)[N+](=O)[O-] 1 1.987 5 3 0 -16.6378043319731 4988181 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3 1 4.084 2 3 -11.661863421013 3717053 CC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])OC 1 3.947 3 6 0 -13.9566679703216 3716984 CC(=O)C1=CN(C(=O)N(C1=O)CC=C)N(C)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.507 4 3 0 -8.97140304270944 3716980 C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)Cl 1 3.12 2 3 -6.92115928207293 3716979 CCOC(=O)CNC(=O)C1=C(N(N=C1C)C)Cl 1 0.485 3 3 0 -12.6529585518374 3716947 CCC1CCCC1=NNC(=O)C2=C(OC=C2)C 1 2.12 2 2 -5.0402250577239 3716943 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3C2=O 1 2.808 2 5 0 -9.99140927727598 3716918 CC1=CC(=NC2=C1C(=C(S2)NC(=O)OCC3=CC=CC=C3)N4C=CC=C4)C 1 4.856 3 2 -4.45562616707653 3716917 CN1C2=C(C=C(S2)C3=NN=C(N3C)SCC=C)C(=N1)C(F)(F)F 1 4.077 5 0 -5.76977805617158 3716916 CC(CS(=O)(=O)CC1=CC=C(C=C1)Cl)(C(=O)NC2=CC=CC(=C2)C(F)(F)F)O 1 3.513 1 4 -2.18228832640648 3716873 CC1(C(=O)NC2=C(O1)C=CC=N2)C(=O)NCC3CCCO3 1 8.7e-002 3 4 0 -14.8701064863265 3716860 CC1=CC(=C(C(=C1C)S(=O)(=O)NC(C)C(=O)O)C)C 1 2.651 1 4 -11.5871926267122 3716818 CCCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)N(C)C)O 1 4.122 2 3 -7.57707106481289 3716809 CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3SC2=O 1 4.045 1 2 0.46087459926384 3716807 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.799 2 2 2.75672372527775 3716796 C1CCC(C1)(CC(=O)NC2=CC=C(C=C2)C(F)(F)F)CC(=O)O 1 3.193 1 3 -1.00677718996601 3716780 CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC(=C(C=C2)OC)OC 1 2.445 2 4 -4.64670872739547 3716744 C1=CC=C(C(=C1)CN2C(=O)C(=O)N(C2=O)CC(=O)N)Cl 1 0.431 3 4 0 -7.1841162541171 3716740 C1C(CN2C1C(=O)N(C2=S)CC3=CC=CC=C3)O 1 1.764 2 2 0 -1.20005881589957 3716648 CC1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC4=NC5=C(COC(C5)(C)C)C=C24 1 3.423 3 2 -15.1175307730304 3716629 CC1CN(CC(O1)C)CC(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC 1 1.823 3 5 0 -11.9152715888488 3716622 C1CN(CCN1CC2=CC=CC=C2)C3=NC=CC=N3 1 1.655 4 0 0 5.66371488008165 3716581 C1CC2CC1CC2C=NNC(=O)C3=CC=C(O3)Br 1 2.676 2 2 -3.92468223551283 3716568 CC1=CC=C(O1)C=NNC2=NC(=O)C(S2)CC(=O)NC3=CC=CC=C3 1 2.511 4 3 0 -10.0363979306192 3716555 COC1=CC2=C(C=C1)C(N(CC2)C(=O)CCl)C3C(=O)CCCC3=O 1 1.825 1 4 0 -10.3771486206071 3716549 C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)NCCO 1 0.623 2 5 0 -4.4319668722947 3716535 CC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC35C6=CC=CC=C6NC5=O 1 4.16 3 2 -3.01998425249834 3716468 CC(=O)C1C(=NC2=CC=C(C=C2)S(=O)(=O)N)C3=C(C1=O)C(=CC=C3)[N+](=O)[O-] 1 1.468 3 6 0 -8.2761585494205 3716450 CCOC(=O)C(C(F)(F)F)(NCC1=CC=CO1)NC(=O)C2=CC=C(C=C2)OC 1 2.844 2 5 0 -11.2810210005489 3716323 CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCC3CCC(CC3)C(=O)O 1 4.159 1 6 0 -20.6219760410448 3716256 CC(=NNC(=O)CNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=CO3 1 0.887 3 5 0 -13.6892181696629 3716254 CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)CC(C)C 1 3.832 3 4 0 -19.9204468176965 3716252 CCOC(=O)C(C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl)(C(F)(F)F)O 1 5.652 2 4 -7.33821428138065 3716225 CC(C)COP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=CC=C2)NC3=CC=CC=C3 1 5.82 2 2 -11.2609963183475 3716222 CNC(=O)C1=CC=CN(C1=O)CC2=CC=C(C=C2)C(F)(F)F 1 1.576 2 2 0 -4.70577373100563 3716188 CC1=CC=C(O1)C(=NNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C 1 2.743 4 3 0 -3.17479170436218 3716133 COC1=CC=C(C=C1)CNCC(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O 1 4.274 1 2 0.576004789884596 3716125 C1=CC(=CC(=C1)C(=S)N)C2=NN=C(O2)SCCOC(=O)N 1 1.712 4 3 0 -8.95198565796161 3716090 CC(C)C1=NC(=O)C=C(N1)CN2CCCCC2 1 1.603 3 1 0 -5.09328816986052 3716029 CC1=C(C=C(C=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 2.028 3 5 0 -15.6104156632325 3715915 CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(=O)NN=CC4=CC=CC=C4F)C 1 0.513 2 6 0 -19.4514048897014 3715796 C=CCN(CC=C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43 1 4.38 3 3 -10.9852975054706 3715764 CC(=NNC(=O)CNC(=O)COC1=CC=CC=C1)C2=CC=CO2 1 0.954 3 4 0 -11.6927371453683 3715739 CNC(=O)C1=C(N=NS1)C2=CC=CC=C2 1 1.821 3 1 0 -6.46764254165011 3715706 C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)N)Br 1 2.983 2 2 -0.415368939626921 3715698 C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2N3C=CN=C3 1 2.192 4 1 -6.41127631421932 3715689 C1=CC(=CC=C1C=NNC2=C3C=CC(=CC3=NC=C2)Cl)Br 1 5.047 3 0 2.78045762551541 3715620 CN(C)C=NC1=NN2C(=CC=NC2=N1)C3=CC=C(C=C3)F 1 2.422 6 0 0.63190692925679 3715583 CC(CCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2F 1 3.685 1 2 -9.26148869721258 3715537 C1=CC=C(C=C1)OCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NCCOC3=CC=CC=C3 1 3.405 3 6 0 -10.594074324063 3715518 COC1=CC=C(C=C1)CNCCC(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)F 1 5.185 1 2 -1.29554501479168 3715500 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=NC(=NO3)C4=CC(=CC=C4)Cl 1 4.039 3 3 1.85487137522513 3715499 CC1=CC=C(C=C1)S(=O)(=O)N2C(COC3=CC=CC=C32)C(C)(C)C 1 4.306 1 3 -7.27194043642094 3715433 C1=CC2=C(C=C1Br)C(=O)N(C(N2)C3=CC(=CC(=C3O)Br)Br)NC(=O)C4=CC=NC=C4 1 4.34 4 3 0 -2.47550485618464 3715470 CC(=NNC(=O)C1=CC=C(C=C1)OC)CC(=O)NC2=NC=C(C=C2)Cl 1 1.991 4 3 0 -6.87409761556654 3715401 CC1CCN(CC1)C(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NCCO 1 2.66 2 4 -6.39954618297449 3715269 CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C)(C)NC3=CC=C(C=C3)OC 1 4.054 5 1 -7.69674116945228 3715244 C1CN(CCC1C(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC=C(C=C3)Cl 1 3.37 2 2 1.35092030655604 3715236 CC1=CC(=O)N(N1)CCCC2=CC=CC=C2 1 1.796 2 1 0 -1.40580297197355 3715215 C=C(C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 5.406 0 2 -6.65279181669068 3715206 CCN1C(=O)C2=C(NC1=S)SC=C2C3=CC=CS3 1 3.749 2 1 -5.806612680444 3715155 C1=CC=C(C=C1)CNCC(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O 1 4.291 1 1 0.174156094249139 3715139 CN1CC(C2(C13C4=CC=CC=C4NC3=O)COC5=CC=CC=C5C2=O)C6=CC=CC=C6 1 3.382 2 3 -3.47005381113952 3715136 CN1C(=C(C(=N1)C2=CC=CC=C2)C(=O)NC(C3=CC=CC=C3)C(=O)O)Cl 1 3.294 3 3 -6.93104109295146 3715121 CC(=O)NC1=CC=C(C=C1)NC2=CC(=NS(=O)(=O)C3=CC=CS3)C4=CC=CC=C4C2=O 1 3.166 3 4 0 -5.05933948757764 3715101 C1=CC=C(C(=C1)N)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.422 4 4 0 -2.47083070954316 3715060 CCOC(=O)C(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)NCC2=CC(=CC=C2)OC 1 3.705 2 4 -7.20059391769141 3715024 CC(C(=O)NCC1CCC(CC1)C(=O)O)OC2=CC3=C(C=C2)C=CC(=O)O3 1 2.8 1 6 0 -19.6813321496932 3714937 C1=CC=C(C=C1)N2C=NC3=C2NC(=O)NC3=S 1 1.686 4 1 0 -4.38614013522254 3714917 CCCSC1=NC2=CC(=C(C=C2C(=N)N1CCCN3CCOCC3)OC)OC 1 3.019 4 3 0 -16.1441112097089 3714889 CC1(CC2=C(C(C(O2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)C(=O)C1)C 1 3.533 1 4 -10.4810637749922 3714872 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC=CC=N3)C4=CC=C(C=C4)OC 1 3.519 4 3 0 -10.2005911909813 3714820 CC1=CC=CC(=C1)C(=O)ON=CC2=C(N(C3=CC=CC=C32)C)Cl 1 4.588 2 2 0.762299092101871 3714818 C1=CC(=C(C=C1OCC(F)(F)F)C(=O)NOCC(=O)O)OCC(F)(F)F 1 2.347 1 6 0 -9.55685905146421 3714790 CCC(C)NC1=NC(=NC2=CC=CC=C21)C3=CC=CC=N3 1 3.411 4 0 1.15859663742731 3714754 C1=CC=C(C=C1)C2(C(C(C(=C(N2)C(=C=[N-])C#N)C#N)C3=CC=CS3)[N+]4=CC=CC=C4)O 1 3.646 5 1 -8.975755008984 3714694 CCC(=O)N(C)CCC1=CC2=C(C(=C1C=NNC(=O)C3=CC=NC=C3)OC)OCO2 1 1.605 4 5 0 -9.70341565476235 3714609 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(SCC3=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.226 4 4 0 -20.3277415567155 3714547 CC1(CCS(=O)(=O)C1)NC(=S)N(CCO)CCO 1 -0.173 2 4 0 -10.9798492150999 3714506 CC1(CN(C1=O)C2=CC=CC(=C2)C3=CC=NC4=NC=NN34)C 1 2.327 5 1 -5.11180761986923 3714439 CCOC1=CC=CC(=C1)C2C3=C(C(=O)N2C4=CC=CC=N4)OC5=CC=CC=C5C3=O 1 3.655 2 4 -6.87817613002347 3714386 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)N5CCOCC5)N 1 4.176 4 4 0 -13.6811802901148 3714373 C1=CC=C2C(=C1)N=CC(=N2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 3.287 3 3 1.64111110850468 3714372 COC(=O)CC(C1=CC=CC=C1F)N2CC3=CC=CC=C3C2=O 1 2.77 1 3 -9.79349934841989 3714371 COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F 1 3.51 2 5 0 -15.0950368012536 3714341 COC1=CC=C(C=C1)C2N(CCS2)C(=S)NC3=CC=C(C=C3)Cl 1 5.911 2 1 -12.0695498294762 3714304 CCCCCCCCN1C(=O)N(C(C1(C)C)N(C(=O)NC)O)C 1 2.736 4 3 0 -8.34143771744966 3714249 CCCCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-] 1 1.567 3 4 0 -10.3560089970748 3714250 CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C)S(=O)(=O)NC2=CC=CC=C2OC 1 1.215 3 5 0 -17.9792629933068 3714255 CC(=O)N=C1C=CC(=CN(C(C)(C)CC2=CC=CC=C2)O)C=C1 1 2.717 2 2 -4.40438993354136 3714256 CC1=CC=C(C=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3 1 3.37 1 2 -3.35826565830671 3714239 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC3=NC=NC4=CC=CC=C43 1 3.062 4 5 0 -7.29903385449088 3714151 C1C(N(N=C1C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3)C4=CC=CO4 1 4.156 2 3 -11.712711555065 3714125 COC1=C(C=C(C=C1)C(CC(=O)O)(C#N)C2=NC=CN=C2)OC 1 0.928 3 4 0 -9.20598110730219 3714086 CC1=CC2=C(C(C(=C(O2)N)[N+](=O)[O-])C3=CC(=CC=C3)OC)C(=O)O1 1 1.352 2 6 0 -9.95160853554269 3714053 CC1=NC2=C(C=C(C=C2C3=C1CCN3C4=CC=C(C=C4)O)OC)OC 1 3.854 2 3 -1.18607607037478 3713944 CCCC1=NN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3 1 3.363 3 1 -9.11711245363398 3713839 COC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C=N3)C4=CC=CC=C4OC 1 4.487 3 2 -2.47127606385121 3713830 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC(=CC(=C3)Cl)Cl 1 5.394 4 0 -6.45863781728314 3713725 CC1(CC(=CC(=O)C1)N(C)CCO)C 1 0.845 1 2 0 -7.14551700124671 3713668 COC1=CC=CC=C1C(C#N)C2=NC(=CC=C2)Cl 1 3.373 2 1 -3.23350538606194 3713672 CCC(=O)NC1=NC(=O)C2=C(N1)CCCC2 1 1.268 3 2 0 -14.4154843290714 3713714 CC1=C(C(=CC=C1)C)N2C(=NN(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C 1 3.648 4 3 0 -5.59564888040824 3713712 CC1=CC=CC=C1S(=O)(=O)C2=C(C=C(N(C2=O)CC(=C)C)C)C 1 3.198 1 3 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C1=CC(=CC=C1CSCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl 1 3.331 2 4 -6.06119469503054 3713420 C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)Cl 1 3.41 2 4 -4.63024494080111 3713419 COCCN1C2=CC=CC=C2NC1=S 1 2.759 2 1 -4.401109002981 3713416 CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)[N+](=O)[O-] 1 1.832 4 6 0 -13.2436897966253 3713405 CC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CN(N=C2C3=CC=CO3)C4=CC=CC=C4)C(=O)OCC=C 1 4.674 3 5 0 -11.5377779202313 3713404 CCCCCCCCS(=O)C1CCS(=O)(=O)C1 1 2.344 0 3 -6.48989024399627 3713385 COC1=CC=C(C=C1)C=NN2C(N(CC2=O)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC 1 3.723 3 4 0 -8.31728544935974 3713338 C1CC2=NC3=C(C=C(C=C3)Br)C(N2C1)O 1 1.834 2 1 0 -2.21666446586436 3713328 CC(=O)NC1=NC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)F 1 2.835 4 2 -7.86751633151454 3713305 CCC1=C2CSC(CC2=C(C(=N1)NCCN)C#N)(C)C 1 1.76 4 0 0 -9.14408111547122 3713301 C1CCN(C1)CC(=O)OCCCC2=CC=CC=C2 1 2.849 1 2 -2.73014037816396 3713299 C=CCN1C(=O)C(SC1=NC2=NC=CS2)CC(=O)NC3=CC=CC=C3 1 2.722 4 2 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COC1=C(C2=C(C=C1)C(OC2=O)C3=C(N(C(=NC3=O)SCC=C)C4=CC=CC=C4)O)OC 1 4.441 2 6 0 -17.101906366254 3712103 CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCCCN2CCOCC2 1 2.093 3 3 -9.05163556667099 3712089 C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)N=CS4 1 3.085 3 1 -11.0522274747237 3712088 CC1CN(CC(O1)C)C2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)F)C5=CC=CC=C5 1 4.574 4 1 1.40464060952762 3712051 CC1=C(SC2=C1C(=O)N(C(=N2)C)N=CN(C)C)C 1 1.01 4 1 0 -8.6770053014198 3712040 C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)Br)SCC(=O)O 1 3.38 1 3 -11.3549099606611 3712001 COC1=CC=C(C=C1)C(=O)NCCONC(=O)C2=CC=C(C=C2)OC 1 1.707 2 5 0 -7.12915964698348 3711958 CCCCNC(=S)NNC(=O)CCN1C(=C(C(=N1)C)Br)C 1 2.674 5 1 -19.1073012900069 3711897 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NN=CC3=CN=CC=C3 1 -0.298 7 3 0 -20.8477476192656 3711884 CC(C1=CC=NC2=NC(=NN12)N=CN(C)C)OC3=CC=CC=C3 1 1.889 6 1 0 -3.39033701215954 3711800 CCOC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2C3CC(C2C(=O)O)C=C3 1 0.953 2 6 0 -10.8785743079969 3711793 C1CC(CC1=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])(C3=CC=CC=C3)C(=O)O 1 3.14 4 6 0 -8.8693102727483 3711774 C1=CC(=CC(=C1)C(F)(F)F)CN2C(=O)C(=O)N(C2=O)CC#N 1 1.586 3 3 0 -1.4980672627205 3711671 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C(=C5)OC)OC)OC 1 3.989 3 7 0 -26.6899936716863 3711670 CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)S(=O)(=O)NC4=CC=CC=C4OC 1 6.054 2 4 -4.28918998919731 3711599 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 4.102 2 3 -7.79052471142043 3711598 CCC1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 3.673 2 4 -7.33673921751895 3711536 CC1CCC(=C(C#N)C(=O)NC2=CC(=CC=C2)Cl)CC1 1 4.249 2 1 -3.30110783310756 3711514 COC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3 1 2.672 3 6 0 -15.3905847248288 3711503 CCOC(=O)N1CCN(CC1)C(=O)C(=O)NNC(=O)COC2=CC=C(C=C2)Cl 1 0.475 4 6 0 -11.2277917585287 3711489 C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)NC(=O)N2CC(=O)NN 1 1.544 4 2 0 -7.32719801425783 3711453 C1OC2=C(O1)C=C(C=C2)CNC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5 1 3.548 4 4 0 -7.5795397925709 3711350 CC1=CC=CC=C1NC(C(Cl)(Cl)Cl)NC(=O)OCCN2C(=NC=C2[N+](=O)[O-])C 1 3.779 5 4 0 -22.8681934170697 3711299 CC1(C(N(C(=S)S1)CC2=CC3=C(C=C2)OCO3)N(C(=O)NC4CCCCC4)O)C 1 5.216 3 4 0 -8.52154117805427 3711349 CCC(C)N(C1=NC(=NC(=N1)NC(C)(C)C)Cl)NC(=O)C 1 2.072 6 1 0 -10.2418065100276 3711327 CC1=C(C(=O)N=C(N1)N2CCOCC2)[N+](=O)[O-] 1 -0.602 4 4 0 -14.6906258484308 3711274 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3 1 1.855 3 5 0 -16.1925293143619 3711254 C1=CSC(=C1)C(=O)NC2=NC(=NC=C2)C3=CC=NC=C3 1 1.797 4 1 0 -2.17113553676906 3711253 CC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(S2)C(=O)C3CC3 1 3.093 3 3 -10.2853131016952 3711227 CCCCCCC(=O)N(C1CC(=O)N(C1=O)C2=CC=C(C=C2)Cl)O 1 3.238 2 4 -7.00428139941719 3711213 CN(C)C=NC(=S)NC1=CC=CC=C1 1 2.489 3 0 -2.41949994342602 3711195 CC1=CC(=NC2=C1C=CC(=C2)Cl)NCC3=CC=C(C=C3)F 1 4.831 2 0 10.056763779582 3711192 CCOC1=CC=CC=C1C=NNC(=O)C2=C(N=C3N2C=C(C=C3)Br)C 1 3.215 4 2 -1.85836808258269 3711167 CC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)C3=CC=CC=C3 1 2.93 2 2 -10.4391170398605 3711158 CC1CCCCN1CC2=CN=C(C=C2)Cl 1 2.921 2 0 -1.398166668167 3711151 CC1(CC2=C(CO1)SC3=C2C(=O)N(N=N3)CC(=O)NC4=CC=C(C=C4)OC)C 1 2.777 4 4 0 -28.5968091591001 3711139 CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CSC=C4 1 2.811 8 3 0 -24.8962140216806 3711111 COC(=O)CC(C1=CC=CC=C1Cl)NS(=O)(=O)C2=CC=CS2 1 2.759 1 4 -14.443378535452 3711046 C1=CC=C(C=C1)NC(=O)CCCC2=NS(=O)(=O)C3=CC=CC=C3N2 1 1.988 3 3 0 -13.1817841289202 3710985 COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3CCCO3 1 1.246 3 4 0 -15.2464675062066 3710971 CC1=NOC2=C1C(=NC=N2)OC3=C(C=C(C=C3)Cl)Cl 1 3.614 3 2 1.83857320589292 3710962 C1=CC(=CC(=C1)[N+](=O)[O-])C(=NOC(=O)COC2=CC=C(C=C2)Br)N 1 2.865 3 5 0 -1.32363370744852 3710924 C1CSC2=NC=C(C(=O)N21)C(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 3.343 3 3 -9.04146595327591 3710920 CCCCN1C(=O)C2C(C1=O)NN=C2C(=O)OCC 1 0.273 3 4 0 -10.7399807942512 3710809 CC1(CC(CC(N1)(C)C)NC(=O)C23CCC(C2Br)(C3(C)C)C)C 1 2.671 2 1 -12.9233441276739 3710774 CC1=CC=CC(=C1)C(=O)NC2=C(C=C(O2)C3=CC=CC=C3)C#N 1 4.017 2 2 -1.80950507391201 3710773 CONC=NC(=O)C1=NOC(C1)CNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.583 5 3 0 0.87046268100937 3710753 CC1(C(SC(=S)N1C)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C 1 4.426 3 3 -4.90478629657012 3710699 CSC1=CC=CC=C1C2=NN=C(O2)SC 1 2.754 2 1 -8.10780047498544 3710538 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CC5=CC=CC=C5)C 1 3.895 4 3 0 -20.3374158508608 3710493 CC1=CC=C(C=C1)CN=C(NC2CCCCC2)NC3=CC=CC=C3 1 5.134 3 0 -4.26887095321933 3710492 CCCCNC(=NCC1=CC(=CC=C1)C(F)(F)F)NC2=CC=CC=C2 1 5.061 3 0 -2.76949310953958 3710468 CC1=C(C(=CC=C1)C)OCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC 1 5.287 2 3 -3.18463838999136 3710434 CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SCC(=O)O)C 1 3.604 1 3 -11.9681637207866 3710433 C1=CC(=CC=C1C(=O)C2=CNC(=C2)C(=O)N)Cl 1 2.285 2 2 0.398887884441002 3710239 COC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3)OC 1 2.767 5 2 0 -9.88094028650431 3710189 CN1C2=CC=CC=C2C3(C1=O)N4C(CC(=N4)C5=CC=C(C=C5)OC)C6=CC=CC=C6O3 1 3.864 3 3 2.31052335692214 3710163 C1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=C(C=C2)[N+](=O)[O-])N 1 1.492 3 4 0 -4.48875067991398 3710097 CCNC1=C(C(=O)N(C2=CC=CC=C21)CC)[N+](=O)[O-] 1 1.133 3 3 0 -7.99362205910908 3710007 CC1=CC=CC=C1C(=O)N=C2N(C=CS2)C 1 2.197 2 1 -10.8094638005598 3710006 CC1=CC=C(C=C1)C(=O)NC2CSC3=C(C2=O)C=C(C=C3)C 1 3.762 1 2 -4.18535729651854 3710004 CN1C=C(C=C1C=NO)C(=O)C2=CC(=CC=C2)Cl 1 3.316 2 2 3.68116042763076 3709850 C1CSC2=NC(=O)C(=C(N21)O)C(C3=CC=CC4=CC=CC=C43)C5=C(N6CCSC6=NC5=O)O 1 4.093 4 4 0 -8.65096280603477 3709823 COC1=CC(=CC(=C1OC)OC)C(=O)NCCN2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.959 3 8 0 -13.697212443549 3709812 C1C(SC2=NC(=C(N2C1=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5 1 6.093 2 1 1.18042018376632 3709738 CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NC4=CC=C(C=C4)C(=O)C 1 1.987 4 3 0 -11.7429140441653 3709724 C1C(=O)N(C(S1)C2=CC=CC=C2Br)C3=NC=C(C=C3)Cl 1 4.04 2 1 -6.09090913843556 3709702 CCOC(=O)C(C)ON1C(=O)C2=CC=CC=C2N=C1N3C(=CC(=N3)C)C 1 2.735 4 4 0 -13.6605557238927 3709692 CC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3S(=O)(=O)C)C4=CC=CO4 1 3.483 3 3 0.794058678430865 3709691 CCCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OCCOC(C)C 1 2.516 2 5 0 -36.1358789625978 3709670 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)COC3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl 1 3.502 8 3 0 -24.3318563311849 3709623 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)F)C4=NC=CC=N4)O 1 2.45 3 4 0 -12.0694259252175 3709605 C1CCC(CC1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=C(C=C5)F 1 2.901 5 2 0 -17.3550626034056 3709593 CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C)C4=CC=CO4)Cl 1 3.483 3 3 0.614369548988234 3709592 CCOC(=O)C1=NN(C2(S1)N(C(=C(S2)C(=O)C)C)C3=CC=CC=C3)C4=CC=CC=C4 1 6.71 3 3 -8.72926209264424 3709528 CCN1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3OC 1 2.392 3 1 4.46674527791696 3709524 CC1=CC(=CC=C1)NC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N 1 0.994 6 3 0 2.28993108103286 3709479 CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OCC(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)O 1 5.048 1 6 0 -13.1615323378488 3709472 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3CC(=NO3)C(=O)C 1 1.909 3 4 0 -14.5086594904835 3709420 CC1=CC(=CC=C1)NC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C 1 0.855 1 9 0 -6.36084939890679 3709401 CN1C=CSC1=NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.561 3 1 -2.79706113049759 3709390 C1CN(CC1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F 1 3.262 1 1 -1.28158574198097 3709375 CC(C)COP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=CC=C2)O 1 3.823 1 3 -8.45655108463354 3709370 CC1=C(C(=O)N(C1OCCBr)C2=CC(=C(C=C2F)Cl)O)C 1 3.922 1 3 2.19182897136053 3709327 CC(=NNC(=O)CNC(=O)CC1=CC=CC=C1)CC2=CC=CC=C2 1 1.783 3 2 0 -13.9332388002223 3709314 CC1=C(C=CC(=C1)N(C)C)N=NC2=CC=C(C=C2)N 1 4.101 4 0 6.33649865024299 3709286 CCCCC(=NNC(=O)C1=CC=C(O1)Br)C2=CC=CC=C2 1 4.206 2 2 -8.35273193583009 3709237 CC1=CC2=C(CCCN2N=O)C=C1 1 2.684 2 1 -2.87748673401136 3709177 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCCOC)CC3=CC(=CC=C3)OC 1 1.861 4 5 0 -16.2331234539897 3709150 C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C#N)[N+](=O)[O-] 1 3.423 3 2 -5.00782548936572 3709138 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=CS3)CC4=CC=CC=C4 1 2.96 6 2 0 -17.2950645086137 3709118 CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCC3CCC(CC3)C(=O)O)CC4=CC=CC=C4 1 5.668 1 6 0 -20.9347520391204 3709087 CC1=CC2=C(C=C1)OCC(N2)C(C)(C)C 1 3.421 1 1 -1.24868420439567 3709085 CN1C(CC(O1)COC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3 1 4.119 1 3 1.65588786181308 3709075 CC1CC(CN(C1)C2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C)C 1 3.8 5 0 4.63980351130229 3709029 CC(C)(C)C(C(=O)O)N1CCS(=O)(=O)CC1 1 -2.216 1 4 0 -8.78391981444422 3708944 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(O2)C3=CN=CC=C3 1 1.199 5 4 0 -8.27076634961808 3708908 CC1=C(SC=C1)C=NNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 2.6 3 2 -6.8627615663545 3708751 CCCC1C(CC(=O)N(C1=O)CC2=CC=CC=C2)C 1 3.079 1 2 -5.19208426738311 3708673 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)OCC(=O)C4=CC=C(C=C4)Cl 1 1.738 1 5 0 -7.4531219078274 3708639 CCC1=C(C=C(C(=N1)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OC)C(=O)OCC)C#N)C 1 4.492 4 4 0 -19.1159936861449 3708526 CCOC(=O)C1=C(N(C2=C(C1C3=CC=CS3)C(=O)CCC2)C4=CC=C(C=C4)C)N 1 4.162 2 3 -23.8912278135679 3708465 COC1=C(C=C(C=C1)C2C3C4CCC(C4)C3SC5=C2SC(=O)N5)OC 1 4.012 1 3 -8.58901602721457 3708440 CC1=NN(C(=O)N1C2=C(C=C(C=C2)OC)OC)C 1 1.165 3 3 0 -5.34617657182948 3708439 CC1=NN(C(=O)N1C2=C(C=CC=C2F)F)CCOC3=CC=CC=C3 1 3.241 3 2 -3.01901270592553 3708438 CC1=NN(C(=O)N1C2=C(C=CC=C2F)F)CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.086 4 3 0 -4.86343532858745 3708437 CC1=NN(C(=O)N1C2=C(C=CC=C2F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.18 4 1 -0.302238323779045 3708430 CC1=CC(=C(C=C1)C(C)C)OC2=NC=CN=C2 1 3.308 2 1 0.250926240218391 3708385 COC1=C(C=C(C=C1)CN2C(=O)CSCC2=O)OC 1 1.081 1 4 0 -7.80525812266659 3708374 CCN1C(=C(SC1=S)C(=O)NCCOC)N 1 0.862 3 2 0 -11.7883600252733 3708362 CC1(C(N(C(=S)S1)N=CC2=CN=CC=C2)N(C(=O)NC)O)C 1 2.099 5 2 0 -4.90897883299294 3708355 CC1=C(C=C(C=C1)NC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=S)C 1 4.273 3 2 -11.4554458358543 3708352 COC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)NCC3CCCO3 1 2.947 1 4 -15.4094354915413 3708283 CC1=C(C=CC(=C1)Cl)OCC(=O)N(CC2=CC=CO2)C3CCS(=O)(=O)C3 1 2.502 1 5 -12.3900209419525 3708282 CC1(C2(CCC1(CC2O)C(=O)NC3=CC=NC=C3)C)C 1 1.329 2 2 0 -5.34667738909996 3708270 CCN(CC)C(=O)CSC1=NC(=C2C3=C(CC(CC3)C)SC2=N1)N 1 3.565 4 1 -19.6046476855107 3708239 CC(C)CC(C(=O)OCC(=O)NC1=CC=C(C=C1)OC(F)F)NC(=O)N 1 2.028 3 5 0 -12.7355350302625 3708238 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)CC(=O)O 1 -1.537 2 4 0 -20.4683887290118 3708232 CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NN=C3CN4CCC3CC4 1 2.081 6 2 0 3.09205984068478 3708169 COC1=CC(=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4)OC 1 0.257 3 7 0 -19.5805367251456 3708168 CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 0.776 3 5 0 -18.4088811686257 3708096 CC1=CC(=CC(=C1)NC2=CC(=O)CC(C2)C3=CC=CO3)C 1 3.686 1 2 -11.551997584958 3708052 CC1=C(N=C(S1)N2C(=O)C3C4CCC(C3C2=O)C4=C(C)C)C5=CC=C(C=C5)C(C)C 1 5.319 2 2 -0.521572958304755 3708019 CC1=CC(=NC(=C1)NC(=O)CC2=CC=C(C=C2)Cl)C 1 3.471 2 1 -2.93509777412492 3708014 C1=CC=C(C=C1)C2=C(C(NC(=O)N2)C3=CC=C(C=C3)F)C4=NC5=CC=CC=C5C=C4 1 4.782 3 1 -11.6138903028366 3708012 COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)CCC3)S(=O)(=O)N4CCOCC4 1 2.283 2 5 0 -21.7687551508719 3707993 CC1(CC2=C(C(=NC(=C2CO1)C3=CC=CC=C3)N4CCOCC4)C(=O)N)C 1 1.858 3 3 0 -6.05144179251677 3707986 C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.028 3 5 0 -9.93609092036839 3707950 CCCCOP(=O)(C(C1=CC=C(C=C1)Br)O)OCCCC 1 4.144 0 4 -3.79172429942174 3707947 C1=CC2=C(C(=C1)F)N3C=CC=C3C(=O)N2 1 2.157 2 1 -4.5013592758106 3707934 C1=CC(=CC(=C1)Cl)CNC2=NC(=C(S2)C#N)Cl 1 3.455 3 0 2.30708974140089 3707933 COC1=CC=C(C=C1)CNC2=NC(=C(S2)C#N)Cl 1 2.774 3 1 0.587507930658931 3707929 CC1=C(C(=CC=C1)NC(=O)C2=C(NC(=O)NC2C3=CC=C(C=C3)OC)C)C 1 2.95 3 3 -29.1789529405675 3707919 CC1CC(C2=CC=CC=C2N1C(=O)C3=CC=CO3)N(C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)C 1 5.563 2 3 -6.60964865917995 3707816 CC1=C(C=C2C(=C1)C3=C(C(N2)(C)C)SSC3=NC4=CC=C(C=C4)S(=O)(=O)NC(=O)C)C 1 4.362 3 3 -18.5889859543004 3707804 CC(=O)NC1=CC=C(C=C1)NC(=O)C(F)(F)F 1 1.159 2 2 0 -5.97043743767386 3707800 CC(C)NC(=O)C1=CC2=C(S1)N(N=C2C(F)(F)F)C 1 2.816 3 1 -10.8883493742912 3707799 CCCNC(=O)C1=CC2=C(S1)N(N=C2C(F)(F)F)C 1 2.962 3 1 -8.44968254328881 3707798 CN1C2=C(C=C(S2)C(=O)NCC=C)C(=N1)C(F)(F)F 1 2.706 3 1 -10.6931452097992 3707797 CN1CCN(CC1)C(=O)C2=CC3=C(S2)N(N=C3C(F)(F)F)C 1 2.253 4 1 -2.73796196776635 3707794 COC1=C(C2=NC3=CC=CC=C3N=C2C=C1)NC(=O)C4=CC=C(C=C4)Cl 1 4.492 3 2 -1.69432414568527 3707753 CC(C(=O)O)SC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-] 1 1.036 2 7 0 -21.6718255725759 3707719 CN1C2=C(N=C1OC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=CC=C5)C 1 3.353 4 5 0 -6.63977836557366 3707695 CCCCN(CC)C(=O)CSC1=NC2=NN=C(C2=C(N1C3=CC=CC(=C3)C)N)C 1 3.587 6 1 0 -16.1580032696835 3707642 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 2.351 3 5 0 -7.49948133979658 3707602 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCN3C(=O)C4=C(C=CS4)NC3=S 1 3.532 3 4 0 -18.1582614929522 3707579 CC(=O)N1CC2=C(CC1C(=O)OC)C3=CC=CC=C3N2 1 1.451 2 3 0 -4.54431393361159 3707540 CC(C)(C)C1CCC2=C(C1)SC3=NC(=NC(=C23)N)SCC(=O)O 1 3.998 3 2 -16.6730997194278 3707508 CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 0.667 3 5 0 -17.8012433966491 3707500 C1CN(CCN1CCCNC(=O)CN2C(=O)COC3=CC=CC=C32)C4=CC=CC=C4F 1 1.921 4 3 0 -8.0240057255811 3707498 C1COCCN1CCCNC(=O)CN2C(=O)COC3=CC=CC=C32 1 -0.226 3 4 0 -13.9543709716501 3707487 CC1CCCN(C1)CCCNC(=O)CN2C(=O)COC3=CC=CC=C32 1 1.323 3 3 0 -12.327972329211 3707485 CCOC1=C(C=C(C=C1)CCNC(=O)CSCC2=CC=C(C=C2)C)OCC 1 4.494 1 3 -18.2726927186331 3707383 CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC(=C(S2)C(=O)C)C 1 2.911 2 3 -4.68977491209715 3707346 COC1=CC(=C(C=C1)NC(=S)N2CCCC(C2)CO)OC 1 3.031 2 3 -11.3724517097822 3707305 CC(C)C(CC(=O)NC1=NC=CS1)C2=CC=C(C=C2)OC 1 3.046 2 2 -7.48888528237843 3707292 CCN1C2=CC=CC=C2C3=CN=C(C(=C31)C#N)N=CN(C)C 1 2.007 5 0 -1.2079946142007 3707233 COC1=C2C=C3CCCC3=NC2=C(C=C1)OC 1 3.047 1 2 -2.72822097138391 3707234 C1CCN(CC1)C(=O)C(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4 1 4.15 2 2 -5.92253526226281 3707165 CC(C)COP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)Br)O 1 4.572 1 3 -6.27550623369304 3707084 CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)OC 1 3.226 2 4 -9.13303011367762 3707014 CC1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)N4CCC(CC4)C)C 1 2.538 4 3 0 -24.1727519362996 3706946 CCOC(=O)C1=CC2=C(CCCC2)N=C1NC(=S)NCC=C 1 3.769 3 2 -17.5583844823272 3706933 CC(=NNC(=O)COC1=CC=CC2=CC=CC=C21)CC(=O)NCCCN3CCOCC3 1 1.011 4 4 0 -13.0459751106902 3706868 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CO4 1 3.521 8 3 0 -22.6783190228275 3706839 CC1=CC=C(C=C1)C(=O)NNC2CC(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC 1 1.439 3 7 0 -13.8554009524888 3706766 C1CC(=NNC(=O)C2=CC=C(C=C2)O)C3=CC=CC=C31 1 2.747 2 2 -4.86199852430346 3706726 CC1=C(C=C(C=C1)NC2=NC(=NN2)N=CN(C)C)C 1 1.399 6 0 0 1.71762634909087 3706715 CCC1(CC2=C(CO1)SC(=C2C(=O)OCC)NC(=S)NCC=C)C 1 4.182 2 3 -24.4371738996021 3706714 CCOP(=O)(C(C(=O)N)NC(=O)NC)OCC 1 -1.347 3 5 0 -11.0743258062077 3706698 C1CCC2=C(C1)C=C3C(=CC(=O)OC3=C2)CN4CCN(CC4)C5=CC=CC=C5F 1 5.281 2 2 -1.42036469279758 3706693 C1CC(OC1)CN2C=NC3=C(C2=O)NC4=C3C(=CC=C4)Cl 1 2.564 3 2 -6.46056028051889 3706569 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SC3=NC=C(C=C3)C(=O)OC 1 4.166 2 4 -9.07438697985021 3706607 C1=CC(=CC=C1C=NNC2=NNN=N2)F 1 1.387 6 0 0 -2.68870078408094 3706586 CN1C(=O)N(C2(C1(NN3C(=O)C(=CC4=CC=CC=C4)SC3=N2)C5=CC=CC=C5)C6=CC=CC=C6)C 1 4.677 5 2 0 -6.93793238996731 3706446 CCC1C(=O)N=C(S1)NN=CC2=CC=CS2 1 2.912 3 1 -7.23985197676467 3706421 CC(=O)NC1=C(C=CS1)C(=O)NC2=CC=C(C=C2)OC 1 1.505 2 3 0 -7.43373323751514 3706420 CC1=CC(=CC=C1)CN2C=NC3=C(C2=O)C=CS3 1 2.812 2 1 -1.74274353548591 3706419 C1=CC(=CC(=C1)C(F)(F)F)CN2C=NC3=C(C2=O)C=CS3 1 3.268 2 1 0.528640936978843 3706418 C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C=CS3)F 1 2.531 2 1 -4.63008509447161 3706417 COC1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=CS3 1 2.31 2 2 -2.98588800258893 3706416 C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=CS3)Cl 1 2.99 2 1 -0.750923102857968 3706292 CN(C)S(=O)(=O)OC1=C(C=CC(=C1)Cl)C(=O)NC2=C(C=C(C=C2)F)F 1 2.839 2 4 -5.32174942922372 3706286 CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.693 4 0 6.30691258912543 3706236 CN1C(=C(C(=N1)C(F)(F)F)C#N)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 4.588 5 0 5.65384879723424 3706233 CCCNC(=O)C1=CC=C(C=C1)CN2C=C(C=CC2=O)C(F)(F)F 1 2.448 2 2 -8.83258628546355 3706223 CC(C)C1CC(CCO1)(CCNC(C)C2=CC=CS2)C3=CC=CC=C3OC 1 4.842 1 2 -3.0559865530647 3706222 COC1=CC=C(C=C1)C2N(CCS2)C(=S)NC3=CC=CC(=C3)C(F)(F)F 1 6.189 2 1 -9.52573593043829 3706184 CC1=CC=C(O1)C=NNC(=O)CNC(=O)COC2=CC=C(C=C2)Cl 1 1.783 3 4 0 -10.5369225224509 3706183 CC1=CC=C(O1)C=NNC(=O)CNC(=O)COC2=CC=CC=C2 1 1.119 3 4 0 -12.8471552250065 3706142 CC(CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 3.879 2 3 -7.81893128230706 3706110 CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2C(=C(C(=O)N2)CCO)C)C)C 1 2.572 2 4 -6.08266554251453 3706038 CCCCOC(=O)NC1=C(C2=C(S1)N=C(C=C2C)C)N3C=CC=C3 1 4.602 3 2 -6.91071858800707 3706035 CCCSCC(=O)NC1=NC=C2CCC3=CC=CC=C3C2=N1 1 3.594 3 1 -5.84025211353398 3706034 CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C4=NC(=NO4)C5=CC=C(C=C5)Cl)C 1 5.714 4 2 1.55007278824986 3706031 C1C2C(CS1(=O)=O)N(C(=S)N2)C3=CC(=CC=C3)Br 1 2.906 2 2 -6.58514930753126 3705881 CC1=CC=C(C=C1)C(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 4.094 0 3 -7.72579770668892 3705860 CN(C)C1=C(C(=O)OC(=C1)C2=CC(=CC=C2)C(F)(F)F)Cl 1 3.153 1 2 7.49206747253573 3705823 CC1=CC=C(C=C1)CN2C3=C(C=C(C2=N)C(=O)NC4CCCCC4)C(=O)N5C=CC=C(C5=N3)C 1 3.628 5 2 0 -18.6115425976004 3705811 CC1=CC=C(C=C1)C(O)P(=O)(C2=CC=C(C=C2)N(C)C)OCC3=CC=CC=C3 1 4.701 1 3 -4.84725549334621 3705785 CC1=CC=C(C=C1)C=NNC2=NC(=NC(=N2)N3CCCCC3)OC 1 3.419 6 1 0 -4.16980771058001 3705739 CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N3CCCN(C3=N2)CC4=CC=CC=C4 1 1.155 5 4 0 -14.0150078023116 3705698 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC=C4OCC(=O)C5=CC=CC=C5 1 2.926 1 4 -4.86647161809589 3705687 CCC(=O)NC1(C2=C(NC1=O)N(C(=O)NC2=O)CC(C)C)C(F)(F)F 1 0.733 4 4 0 -11.0281000261305 3705661 C1=CC=C(C(=C1)NN=C(CCC(=O)O)C2=CC=CS2)[N+](=O)[O-] 1 3.122 3 4 0 -9.94424088678128 3705659 CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C#N 1 4.973 4 0 -11.126157354924 3705648 C1=CC2=NC3=C(C=C(C(=N)N3CC4=CC=CO4)S(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N2C=C1 1 2.322 4 4 0 -20.1081996260826 3705611 CC(CC(=O)C1=CC=CC=C1)C(=C)C(=O)C2=CC=CC=C2 1 4.374 0 2 -5.93168494508534 3705596 C1CCC2=C(C1)C(=C(C(=N2)Cl)C#N)C#N 1 2.831 3 0 -3.31830980927525 3705595 CC(C)C(C(=O)NNC(=O)C1=CC=NC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 1.287 5 5 0 -21.5235833036698 3705525 CC(=NNC(=O)CNC(=O)COC1=CC=CC=C1)C2=C(C=C(C=C2)OC)OC 1 1.526 3 5 0 -14.149415720655 3705414 C1CN(CCN1CCCNC(=O)C2=CC=C(C=C2)Cl)CCCNC(=O)C3=CC=C(C=C3)Cl 1 3.444 4 2 -4.94159000780907 3705369 CCC(C)CCCCNC1=NCCS1 1 3.603 2 0 -10.9963230188446 3705367 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=C(C=C3)C(=O)O)C)C 1 2.618 1 4 -17.5814824216613 3705143 CC1=C(C(=NC(=N1)N2CCOCC2)OC3=CC=CC=C3)[N+](=O)[O-] 1 2.078 4 4 0 1.0221794587127 3705044 CC1=CC=C(C=C1)C(=O)ON=C2CC3CCC2(C3(C)C)C 1 4.116 1 2 2.17111270275418 3705017 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)C3=CC=C(C=C3)CC(C)C 1 3.855 3 2 -10.8041459240485 3705005 C1CC2=C(C1)N=C3C(=C2)C=C(C=C3Br)Br 1 4.577 1 0 1.18893857018052 3705004 CC1=NN(C(=O)N1C2=CC=C(C=C2)OC)CCOC3=CC=CC=C3 1 2.813 3 3 -3.38123989987575 3705000 CC1=NN(C(=O)N1C2=CC=C(C=C2)OC)CC3CC3 1 2.001 3 2 -4.7686434578944 3704975 CC(C1=CC=CC=C1)NC(=O)COC(=O)CC2=CSC=C2 1 2.403 1 3 -15.5489198398132 3704963 CCCN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)CSC4=CC=CC=N4 1 5.024 3 2 -14.7982456549538 3704829 CC1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)O 1 1.354 5 3 0 -10.0283146855279 3704813 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=CC=CC=C2)N 1 2.458 2 3 -9.17632146874128 3704812 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(CN3CCC(CC3)CC4=CC=CC=C4)O 1 4.678 2 2 4.55196331558665 3704734 CCC(CC)C(=O)NN(C1CC(=O)N(C1=O)C2=CC=CC=C2)C(=O)C3=CC=NC=C3 1 2 4 4 0 -10.302605817109 3704657 CC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC=CC=N3)O)C(=O)C4=CC=CO4 1 2.586 3 4 0 -14.4339664014934 3704631 CC1=CC=C(C=C1)C2=NNC(S2)C3=CC(=CC=C3)F 1 4.305 2 0 2.02730664055575e-002 3704629 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)OCC(=O)O 1 2.11 1 5 -10.3275860681842 3704502 C1COCCN1C(C#N)(C2=CC=NC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 2.737 4 1 0.889317962440076 3704521 CC(C1=CC=CO1)N(CCN(C)C)C(=S)NC2=CC(=C(C=C2)OC)Cl 1 5.084 3 2 -8.46576300178589 3704505 CCCC(=O)C1=CNC(=C1)C(=O)NCC2=CN=CC=C2 1 1.719 3 2 0 -11.1395180657593 3704470 CN(C)C1=CC=C(C=C1)C(O)P(=O)(OC2CCCCC2)OC3CCCCC3 1 4.617 1 4 -4.6719804924247 3704416 CC(CS(=O)(=O)CC1=CC=C(C=C1)OC)(C2=CC=C(C=C2)Cl)O 1 3.288 0 4 -1.79096296344355 3704436 C1=CC=C(C(=C1)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-] 1 3.985 4 2 1.8797915868298 3704282 COC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=C(C=C3)F 1 3.023 3 2 0.38167472404555 3704236 C1CCC2=NC=C(N2CC1)C3=CC=C(C=C3)F 1 3.367 2 0 3.39832706617081 3704231 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=C(C=C3)F 1 2.496 2 3 -4.49334257372026 3704213 CCOP(=O)(C(C(=O)N)NC(=O)NC1=CC=C(C=C1)C)OCC 1 0.716 3 5 0 -9.81117724101079 3704063 CC(=NNC(=O)CNC(=O)C1=CC=NC=C1)C2=CC=C(C=C2)Cl 1 1.237 4 2 0 -12.4196043613705 3703965 CC1CCCCN1C2=NC(=NC(=C2[N+](=O)[O-])C)N3CCOCC3 1 1.355 5 3 0 -4.96191788845259 3703963 CC1(C2(CN3CC1(CN(C2)C3C(C(C(CO)O)O)O)[N+](=O)[O-])[N+](=O)[O-])C 1 -1.054 4 8 0 -4.30213835957457 3703880 CN1C(=NC(=N1)[N+](=O)[O-])N2CCN(CC2)C3=CC=C(C=C3)F 1 2.13 6 2 0 1.90553329323811 3703876 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3=CC=C(C=C3)OC)C(=S)NC4=CC=CC=C4 1 6.167 3 4 0 -8.82180878256503 3703860 CC1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)Cl 1 3.668 2 0 3.33664954323457 3703809 CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CC(OC5)C(C)C 1 4.861 4 2 -13.7483372788697 3703706 CCOC(=O)C1=C(N=C2C(=C1)C(=O)C3=CC=CC=C3O2)C 1 2.839 1 4 -3.75380297640275 3703693 CCOC1(CC1C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 2.766 3 4 0 -5.22497402929206 3703541 CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)OC)O 1 3.661 0 5 -2.16921347823338 3703449 COC1=CC=C(C=C1)C(CCN)C2=CC3=C(C=C2)OCO3 1 2.748 1 3 -3.4375230245544 3703391 COC1=CC(=C(C=C1)C=NNC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl)OC 1 5.503 4 2 5.04532143520775 3703356 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4CCOCC4)S(=O)(=O)C5=CC=C(C=C5)Cl 1 1.892 5 4 0 -22.5296344031625 3703272 CC1=CC(=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)C 1 3.999 3 2 -10.9436309322825 3703271 COC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)OC 1 2.993 3 4 0 -15.8849856824853 3703260 CCN1C(=O)C(N(C1=S)CC2=CC(=C(C=C2)OC)OC)CC(=O)NC3=CC=C(C=C3)OC 1 3.578 3 5 0 -17.3373010448409 3703257 C1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)Cl 1 4.99 3 3 -13.3966695308599 3703148 CC1=CC=C(C=C1)C=NNC2=NC(=NC(=C2)C)N3CCOCC3 1 2.091 5 1 0.49816486132698 3703123 CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)O)C3=CC=CS3 1 3.132 1 3 -11.2646288264685 3703057 CCN(CC)CCNC(=O)C1=CC2=C(S1)C=CC(=C2)Br 1 3.776 2 1 -2.97529010980032 3703044 C1C(SC(=NC1=O)NN=CC2=CC=CO2)C(=O)NC3=CC=C(C=C3)Br 1 3.114 4 3 0 -6.46716946676718 3703002 C1C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)NNC(=O)C3=CC=CS3 1 1.859 3 3 0 -5.84870197536448 3703001 CC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CC=C4)C5=CC=CC=C5 1 5.256 4 3 0 -4.33611196020393 3702992 CN1C(=O)C(CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl 1 4.078 2 1 -0.881019739545131 3702945 CCOC(CN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)C(=O)C)OC)OCC 1 4.179 2 5 0 -21.865720726258 3702925 CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC=CC=C3Cl)C(=O)CCC2 1 1.912 4 1 0 -18.846425560937 3702891 CCOC(=O)C1=NNC2(C1)CC(=O)N(C2=O)C3=CC(=CC(=C3)C)C 1 1.58 3 4 0 -9.47474170421344 3702779 C1CCC(CC1)NC(=O)COC2=CC=C(C=C2)C3=NC=CC(=N3)C4=CC=CC=N4 1 3.797 4 2 -3.34524236212156 3702769 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.392 3 7 0 -13.5111415968965 3702761 CCOP(=O)(C1C(=O)N(C(=O)N1)C2=CC=CC=C2)OCC 1 1.052 2 5 0 -5.42210166410365 3702743 CCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C#N 1 2.959 2 3 -30.4094202916916 3702742 COC1=CC=CC(=C1)C(=O)NN=CC2=CC(=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-])OC 1 3.493 4 6 0 -11.615022402556 3702591 C1CCCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl 1 3.795 5 0 6.66665919090489 3702569 CCC(=O)C1=CC2=C(C=C1)OCCO2 1 2.022 0 3 -7.64193530186863 3702551 CC1=CC=C(C=C1)C(=O)NCCSC2=C(N=NS2)C 1 2.666 3 1 -13.1879267570009 3702550 CN(C1=NC2=CC=CC=C2N=C1C(F)(F)F)NS(=O)(=O)C3=CC=CC=C3 1 3.282 4 2 -2.91099683021268 3702531 C1C2=CN=C(N=C2C3=CC=CC=C3O1)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.935 4 4 0 -5.50292468325399 3702530 C1CN(CCC1NC(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)F 1 2.831 3 3 -12.9268939594072 3702296 C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])O 1 2.064 3 7 0 -9.30385459394446 3702206 C1=CC=C(C=C1)C(=O)NC(=S)NN2C=NN=C2 1 1.035 5 1 0 -9.99594073737858 3702181 CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NC3CC3 1 1.098 2 4 0 -8.93998635915952 3702169 COC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=O)N2NC(=O)C3=CC=NC=C3)C4=CC=CC=C4 1 1.514 5 5 0 -10.7042173725203 3702061 C1CC2(N(C1=O)C(CS2)C(=O)O)C3=CC=C(C=C3)Br 1 2.135 1 3 -4.03352567881938 3702060 C1=CC=C2C(=C1)N=C(N2CC(=O)NN)COC3=CC=C(C=C3)Cl 1 2.338 4 2 -2.08448198371965 3702046 COC(=O)NN=C1CCCC2=CC=CC=C21 1 2.424 2 2 -9.06872837633851 3702000 CC(C)C(CCN(CC1=CC=CC=C1)C(=O)C)C2=CC=C(C=C2)OC 1 4.467 1 2 -5.95285443706829 3701969 C1=CC=C(C=C1)NC2=NC3=C(S2)N=CNC3=S 1 2.112 4 0 -0.28015173998155 3701967 CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F 1 4.066 2 5 0 -15.4223619959481 3701956 COC1=CC=CC(=C1)CNC2=NC3=CC=CC=C3CS2 1 3.732 2 1 -5.62389572234609 3701954 CCCC1=C(N(N=C1C)C(=O)C(=NNC2=CC=CC=C2[N+](=O)[O-])C#N)C 1 3.745 6 3 0 -4.11420214477072 3701932 CC1=CC(=NNC(=O)COC2=CC=C(C=C2)OC)CC1 1 2.194 2 3 -6.42645233107865 3701670 CCC(CC)C1C(=C(OC2=C1C(=O)OC(=C2)C)N)C#N 1 2.121 2 3 -11.613721095456 3701634 CSC1=NC=CC(=N1)NC(=O)C2=CC(=CC=C2)Br 1 3.186 3 1 -5.09383875576199 3701633 CCCCOC(=O)CCCC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] 1 3.75 2 6 0 -11.5632110347876 3701632 COC1=C(C=C(C=C1)C2=C3N=C(C=CN3N=C2)C4=CC=C(C=C4)Cl)OC 1 4.2 3 2 1.50659918135508 3701575 C1=CC(=CC=C1C(=O)NC(C(F)(F)F)(C(F)(F)F)NNC2=CC=C(C=C2)[N+](=O)[O-])F 1 4.461 4 3 0 -7.34332227605249 3701529 C1=CC(=CC(=C1)Br)CN(CCCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)F 1 3.535 1 4 -11.8247250394367 3701527 C1=CC(=CC(=C1)Br)CN(CCCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Br 1 4.078 1 4 -13.1009230062854 3701502 CC1(N=C2C=CC(=C(C2=[N+]1[O-])N)[N+](=O)[O-])C 1 -1.257 4 3 0 0.173389181711222 3701443 C1CCC23C(C1)C(C(=N)O2)(C(CO3)(C#N)C#N)C#N 1 0.505 4 2 0 -3.43789293976525 3701437 CSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)NC(=O)C6=CC=NC=C6 1 2.831 5 3 0 -15.2976126212435 3701390 CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=C(C=C3)OC)C4=CC=CC=C4 1 2.814 9 3 0 -23.2653247033104 3701383 CC1=NN2C(=CC=NC2=C1Br)C3=CC=NC=C3 1 1.93 4 0 0 -1.0728490673807e-002 3701330 CON=C(CN1C(=O)C(=C(C=N1)NC2CCCCC2)Br)C3=CC=C(C=C3)Cl 1 3.473 4 2 -2.23673302321203 3701303 C1CN(CCN1CC(=O)NN=CC2=CC=CC=C2OCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br 1 -1.212 4 6 0 -22.3216079752424 3701276 CCCC=NNC(=O)C1=C(C2=C(N1)C(=CC=C2)[N+](=O)[O-])C 1 3 4 3 0 -3.37722156464409 3701239 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)S(=O)(=O)C5=CC=CC=C5 1 1.698 4 4 0 -28.2900816174482 3701226 C1CN(CCC1CC2=CC=CC=C2)CCNC(=O)CNC(=O)C3=CC=CS3 1 2.847 3 2 -10.5492865862686 3701194 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CS4 1 4.249 4 2 -15.358836474107 3701181 CCCCC(=O)N1C2=C(C(C3=C1N(C(=O)N(C3=O)C)C)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CC=C52 1 4.323 3 4 0 -15.5769785541399 3701150 CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=CC(=NN3)C4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-] 1 5.628 4 3 0 3.60138291458448 3701110 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3COC4=CC=CC=C4O3)OC 1 3.298 2 5 0 -1.82741694865382 3701068 C1=CC=C(C=C1)C(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=C(O4)[N+](=O)[O-] 1 2.907 4 5 0 -11.5900507269974 3701062 CC1=C(C(=CC=C1)C)NC(=O)CN2C(=O)C(NC2=O)(C)CCC3=CC=CC=C3 1 3.462 3 3 -7.60763955011388 3701031 CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)NC3=CC=CC=C3Cl 1 3.601 3 2 -11.4549998722069 3701028 CN1CC(C(C1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3F 1 4.096 1 1 2.42295247058698 3701027 CN1CC(C(C1)C(=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl 1 3.874 1 2 3.06085001904701 3701022 CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)NC3=CC(=CC=C3)Cl 1 3.601 3 2 -8.86142161902142 3701004 CC(C)(C)N1C(=O)C2=CC=CC=C2NC(=O)N1 1 1.086 3 2 0 -7.75836182383888 3701003 COC1=CC=CC(=C1)COC2=C(SC=C2)C(=O)OC 1 3.189 0 4 -5.02550377919515 3701002 C1=CC=C(C=C1)C(=O)CN2C=NC(=C2Cl)Cl 1 2.511 2 1 -3.61292938542712 3700946 CCN1C=NC2=C1C=CC(=C2[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)C 1 2.768 4 4 0 -2.44979097544882 3700906 CC1=CC=C(C=C1)NC(=O)N2CC3=CC=CC=C3CC2C(=O)NC(C)(C)C 1 3.423 3 2 -11.5128966492021 3700899 C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 4.276 1 5 -6.64710118760803 3700890 CCN1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC(=C(C=C3)C)C)N)[N+](=O)[O-] 1 3.151 7 2 0 1.70803637249454 3700861 C1CSC2=NC(=O)C(=C(N21)O)C(C3=CC=CC=C3)C4=C(N5CCSC5=NC4=O)O 1 3.185 4 4 0 -12.2703192697438 3700827 C1=CC(=CC=C1C(=O)CCCC(=O)C2=CC=C(C=C2)O)O 1 3.161 0 4 -1.743077228093 3700772 CC(C)N=C(NC#N)SCC1=CC=CC=C1 1 3.077 3 0 -5.1836308787671 3700757 C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=NN=C(S3)N 1 3.976 3 0 -7.2522319071128e-002 3700691 CCC1=C2CCCCC2=C(C(=N1)SCC)C#N 1 4.45 2 0 -10.703439642669 3700689 CCN(CC)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.632 7 4 0 -9.21666853109081 3700615 COC1=CCC2(CC1(CN(C2)CCO)[N+](=O)[O-])[N+](=O)[O-] 1 -5.4e-002 3 6 0 0.37953730638347 3700538 CC1(CC(=O)C2=C(O1)C=CC(=C2)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4)C 1 2.86 2 4 -9.88273980763401 3700536 CCCCCCCNC(=O)COC1=CC2=C(C=C1)OC(CC2=O)(C)C 1 3.81 1 4 -18.5155561618207 3700490 CC1CN(CC(O1)C)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl 1 2.461 2 2 -4.2858757282944 3700457 CC1=C(C=C2C(=C1)C(=NC(=N2)NC(=NC(=O)C(C)C)N)C)C 1 3.248 5 1 -2.7230363280054 3700419 CC1=CC=CC2=CC(=C(N=C12)Cl)C=NNC3=CC=C(C=C3)C(=O)O 1 4.624 3 2 2.45113811148789 3700374 CC(C(=O)O)NC1=C(C=CC(=N1)Cl)[N+](=O)[O-] 1 1.76 3 4 0 -9.6491624959163 3700372 CC(C(=O)NN=C(C1=CC=CC=C1)C2=CC=CC=C2)NC3CCCCC3 1 4.476 3 1 -8.69031841044198 3700354 CC1=CC=C(C=C1)SCC2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)O 1 3.576 1 3 -6.61181845029269 3700352 CC(=O)NC1=CC(=C(C=C1)OC2=NC=CC=N2)Cl 1 1.917 3 2 0 -4.80531485873667 3700333 CCN1C2C(C(=O)N(C2NC3=CC=CC=C31)C4=CC=C(C=C4)Cl)C(=O)C 1 3.476 3 2 -7.90353288045304 3700284 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.55 4 5 0 -13.0701117363819 3700277 COC1=CC=CC=C1N2C(=O)C3C(C2=O)N(N=C3C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br 1 4.75 3 4 0 -7.28169159180898 3700255 C1CC1C(=O)NCCC2=CC=CC=C2 1 2.036 1 1 -11.1726022450242 3700205 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C)C3=NC=CN=C3 1 2.144 6 1 0 -15.7362721198009 3700159 CCOC(=O)C1CCCCN1CC2=CC(=C(C=C2)F)Br 1 3.965 1 2 -5.13318488642806 3700152 C1CCC(C(C1)NC(=O)NC2=CC=CC3=CC=CC=C32)O 1 2.746 2 2 -5.80767250926494 3700021 C1CN(CCN1C2=CC(=O)NN=C2C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl 1 2.764 4 2 -6.77267280824789 3699930 COC1=CC=CC=C1NC(=O)C2=CC=CC=C2OC3=CC=CC=C3 1 4.158 1 3 -6.27511912465646 3699853 CCC1=CC=CC=C1NC2=CC(=O)CC(C2)(C)C 1 3.646 1 1 -13.1878434346664 3699797 CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CN4CCN(CC4)C5=CC(=CC=C5)OC 1 4.026 5 2 0 -4.1329726443738 3699796 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCOC 1 3.203 5 3 0 -17.0437706483395 3699732 CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=N4 1 2.976 4 2 5.66222246525013 3699645 CC1(CC2=C(C(=NC(=C2CS1)C3=CC=CO3)N4CCN(CC4)C(=O)C5=CC=CC=C5Cl)C#N)C 1 4.733 4 2 -8.62047669093521 3699644 C=CCNC(=S)NNC(=O)CC12CC3CC(C1)CC(C3)C2 1 2.962 3 1 -14.4468662653204 3699567 C1C(C(=O)N(C1=O)C2=CC=CC=N2)CC3=CC=CC=C3 1 2.329 2 2 -3.50782606206726 3699557 CCSCCOC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)CCC2)C 1 2.59 1 5 -37.0093608118021 3699470 CC1=CC=C(C=C1)N2C(=NN(C2=O)C(C)C(=O)OC)C 1 1.875 3 3 0 -10.3152747218194 3699358 CC1=CC=C(S1)CNC2=NC=CN=C2 1 0.873 3 0 0 1.40855882320391 3699354 CCCCCC(=O)OCCC1=C(N=C2N=CNN2C1=O)C 1 1.175 4 3 0 -14.2219313262147 3699336 C1C(O1)C(=O)C2=C(C=NN2)C3=CC=CC=C3 1 1.514 2 2 0 -2.52895723600361 3699272 CC(C)CC(=O)C1=CNC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 3.284 3 2 -2.03475234656754 3699216 CC1=CC=C(C=C1)NC(=O)NNC(=O)C2CC(=NO2)C3=CN=CC=C3 1 0.882 5 3 0 -7.29625135014422 3699200 C1=CC=C(C=C1)CNC(=S)NCCCC2C(=O)N(C(=S)N2)CC3=CC=CC=C3 1 4.56 4 1 -13.3177444878732 3699118 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)C 1 3.075 1 4 -5.48569462386047 3699048 CC1=C[N+](=CC=C1)C2C(C(=C(NC2(C3=CC=CC=C3)O)C(=C=[N-])C#N)C#N)C4=CC=CS4 1 4.132 5 1 -8.43841138881158 3699010 CC(C)COC(=O)C1C2C=CC3(C1C(=O)N(C3)C4CCCC4)O2 1 1.773 1 4 0 -3.30034930866031 3698994 CC1=C(C(C(=C(N1)SCC(=O)NC2CCCCC2)C#N)C3=CC=CO3)C(=O)NC4=NC5=CC=CC=C5S4 1 4.262 5 3 0 -36.6295808893172 3698987 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N 1 2.218 2 3 -11.3707934020657 3698972 CC1=C(SC(=N1)NC(=O)C2=CC=NC=C2)C(=O)N(C)C 1 0.449 4 2 0 -10.9703476613119 3698881 CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(O4)C 1 2.689 8 4 0 -23.6751117376344 3698876 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=CC=N2 1 2.136 3 4 0 -17.1220508601578 3698817 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NN=CC3=CC=CC=C3F 1 3.5 5 0 2.74662938460634 3698747 C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)NCC4=CC=CC=C4)N)N5CCOCC5 1 3.978 4 2 -13.082476015976 3698617 CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC(=CC=C3)OC 1 3.558 3 4 0 -10.7695202246249 3698616 C1=CC=C(C=C1)S(=O)(=O)CC2=CC(=NO2)C3=CC=CC=C3Cl 1 4.082 1 3 -2.83544931427642 3698579 CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NCCC2=CC=C(C=C2)OC 1 0.394 5 3 0 -16.0422281323888 3698558 CC(CNC(=O)C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.061 4 6 0 -14.7016642943886 3698402 CC1=CC(=CC=C1)OCC(=O)NCC(=O)NN=C(C)C2=CC=C(C=C2)Cl 1 2.709 3 3 -10.4949943100994 3698352 C1COCCN1C(C#N)(C2=CC=CC=C2F)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.093 3 1 0.897753580867091 3698351 CN(C)C=NC(=S)NC1=CC=CC=C1Cl 1 3.153 3 0 -1.90951718748322 3698349 COCCCNS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.227 2 4 -0.683759420446863 3698321 CC1=CC=C(C=C1)C(=O)NC2=NC=CC(=N2)C3=CC=CS3 1 3.743 3 1 -6.97494311057023 3698299 CC1=C(C2=C(O1)C3=CC=CC=C3C(=O)C2=O)C(=O)C4=CC=C(C=C4)Cl 1 4.417 0 4 2.99548029362983 3717938 C1C(C2=C(C1=O)C(=CC=C2)F)C3=CC=CC=C3 1 3.384 0 1 -2.25230008451411 3717918 C1=CC(=CC=C1C(=O)NC2=NSC(=N2)N)F 1 1.464 4 1 0 -0.130873483426293 3717916 COC1=CC=CC(=C1)CN2CCN(C2=O)C3=CC=C(C=C3)F 1 2.949 2 2 -5.90012780640598 3717803 CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OC(C)C(=O)NCC4CCC(CC4)C(=O)O 1 4.337 1 6 0 -18.1003099011793 3717793 CC1=NC(=CC2=CC(=C(C=C12)OC)OC)C3=CC=C(C=C3)OC 1 3.768 1 3 4.00010654805855e-002 3717785 CC(=NNC1=NN2C=NN=C2C=C1)C3=CC=CO3 1 1.054 6 1 0 -2.69022176896243 3698180 CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC=CN2C 1 4.624 3 0 -7.17084648989981 3698178 CC1=CC(=CC=C1)NC(=S)NCC2=CC=CN2C 1 3.959 3 0 -7.54357979117336 3698174 CN1C=CC=C1CNC(=S)NC2=CC(=CC(=C2)F)F 1 3.884 3 0 -8.85668798336351 3698173 CCC1=CC=CC(=C1NC(=S)NCC2=CC=CN2C)C 1 4.901 3 0 -10.6156192138031 3698159 COC1=CC=CC=C1C(=O)N(CC2=CC=C(C=C2)Cl)C3CCS(=O)(=O)C3 1 2.983 1 4 -11.4377252136423 3698125 C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)O)O 1 3.755 0 2 10.9391403198336 3698101 CC(C)CCC1(C(=O)NC(=O)NC1=O)CN2CCCC2=O 1 0.555 3 4 0 -16.2449635097673 3697972 C1=CC=C(C=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)N 1 2.322 3 1 -7.25641759493328 3697967 COC1=CC(=C2C(=C1)N=C(C(=C2N)C#N)C(C(F)(F)F)(F)F)OC 1 2.978 3 2 -5.0478546843525 3717771 CCC1=C2COC(CC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CO4)C#N)(C)C 1 2.326 4 3 0 -16.0632470931705 3717726 CC(=NNC(=O)C1=CC=CC=N1)CC(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F 1 2.839 4 2 -9.21031165232188 3717703 COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(N2CC(=O)OC)C4=CC=CC=C4 1 4.801 2 3 -4.08660343971434 3717682 C1=CSC(=C1)C(=O)NC2(C(=O)N(C(=O)N2)C3=CC=C(C=C3)F)C(F)(F)F 1 3.036 3 3 -6.1729057725955 3717630 C1CC(OC1)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl 1 3.125 3 1 -6.99763667598471 3717628 CC(C)CN1C(=NNC1=S)C2=CC=C(C=C2)OC 1 3.277 3 1 -5.12931933679323 3717589 CCCCCOC1=CC=CC=C1C(=O)NCCCCCC(=O)O 1 3.769 1 4 -16.4237501230128 3717514 C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)O)OC1 1 0.64 1 6 0 -16.8560152594453 3717467 COC1=CC=C(C=C1)CC2(COC3=CC=CC=C3C2=O)CO 1 2.748 0 4 2.59150845246573 3717433 CCN(CC)C(=O)C(NC(=O)NC1=CC=C(C=C1)Cl)P(=O)(OCC)OCC 1 2.003 3 5 0 -10.6465901217455 3717380 C1CC(OC1)CNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl 1 2.575 5 1 1.03082632836166 3717334 CC(CCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2OC(=O)C 1 3.544 1 3 -8.86534607608496 3717333 CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4Cl 1 3.906 2 3 -8.98579523301756 3717308 C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)O)OC2=O 1 4.562 1 6 0 -16.9486195530601 3717298 CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)NCC3CCC(CC3)C(=O)O 1 4.824 1 6 0 -20.1879866552335 3717260 C1=CC=C(C=C1)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)N 1 3.617 3 0 4.7057760644166 3717254 C1C(=CC2=CC=CC=C2O1)C=NNC3=CC=C(C=C3)C(=O)O 1 3.136 2 3 4.03340558460212 3717232 CC(C)N1CCC2(CC1)N3C(CC(=N3)C4=CN=CC=C4)C5=C(O2)C=CC(=C5)Br 1 3.863 4 1 1.66494838367662 3717231 C1=CC(=CC=C1CN2C(=O)C(SC2=O)CC(=O)NC3=NC=CS3)Cl 1 2.516 3 3 -6.89555742595626 3717220 COC1=CC=C(C=C1)C2CC3(CC(C2(C#N)C#N)(C(=O)N3)C#N)O 1 3.4e-002 4 3 0 -2.82765923937521 3717219 CC1=CC=CC(=C1)C(=O)OC2=CC=CC=C2C(=O)N3CCOCC3 1 2.849 1 4 -12.6075749189465 3697926 CCOC(=O)C(C(F)(F)F)(NCCC1=CC=CC=C1F)NC(=O)C 1 2.541 2 3 -10.6616766705067 3697925 C1CCN(CC1)P(=O)(C(C=O)Cl)N2CCCCC2 1 1.196 2 2 0 -1.39524783564141 3717145 CC(=O)NC1=CC=C(C=C1)C2CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 4.966 3 1 -5.2170055354178 3717078 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)NC(=O)C)[N+](=O)[O-] 1 1.818 3 5 0 -8.26278925541278 3697803 CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)F)C#N)CC(C)C)C(=O)C 1 4.073 2 2 -25.435508147057 3697763 CC1=CC=C(C=C1)SCC2=C(N(N=C2C3=CC=CC=C3)C)Cl 1 5.497 2 0 5.48489054112341 3697745 COC1=CC=C(C=C1)CNC(=O)CCC(=O)NC2=NN=C(S2)C(F)(F)F 1 1.764 4 3 0 -16.1094575048299 3697682 CCOC(=O)CSC1=NN=C(S1)NC(=O)CN2CCN(CC2)C=O 1 -0.293 5 4 0 -22.5551573741356 3697681 C1COCCN1CC(=O)NC2=NN=C(S2)SCC(=O)O 1 -3.352 4 4 0 -22.7708690652283 3697676 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)O 1 1.421 3 5 0 -22.1515135230136 3697601 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4 1 4.294 3 4 0 -10.0387892008622 3697572 CC1=NC(=C(C(=C1)COC)C#N)SCC2=CC=C(C=C2)Br 1 4.057 2 1 -9.3762063914896 3697555 C1=CC=C(C=C1)CN2C(=NC3=NC4=CC=CC=C4N=C32)C5=CC=C(C=C5)F 1 5.124 4 0 -2.23978537113668 3697485 CC(C)(C)C(=O)NC1(C(=O)N(C(=O)N1)C2=CC=CC=C2F)C(F)(F)F 1 2.965 3 3 -8.81319531218487 3697424 CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CC(=CC=C2)Cl)C#N 1 1.974 3 2 0 -10.3257779334443 3697402 CC1=CC=C(C=C1)N2C3=C(C(=O)CC(C3)(C)C)C(C2=O)(C(F)(F)F)NC(=O)C4=CC=CC=C4F 1 4.456 2 3 -14.8781043079962 3697347 CCN1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CC=C4 1 2.026 3 4 0 -1.62306132616392 3697300 CCOC(=O)CNC=C(C(=O)OCC)C(=O)OCC 1 0.208 1 6 0 -6.55506735790177 3697247 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-] 1 3.579 3 5 0 -11.4705494055123 3697241 COC1=C(C=C(C=C1)C(C2=CC=CC=C2)SC3=CC=CC=C3)OC 1 5.534 0 2 -2.43552613205305 3697235 CC1=CC(=NN1CC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O)C 1 0.115 6 3 0 -18.9685661940994 3697226 COC(=O)C1CSC(N1C(=O)CN2CCOCC2)C(=O)OC 1 -0.327 2 6 0 -10.7620353716425 3697211 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br 1 2.929 2 3 -13.1389212990786 3697209 CC1=NC(=S)C2=C(N1)C3=CC=CC=C3CC24CCCCC4 1 3.916 2 0 -6.10034602346025 3697164 CC(C)OCCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=CC=C3)C(=O)N4C=CC=CC4=N2 1 1.55 4 4 0 -24.7437346263302 3697143 C1C2CC3CC1CC(C2)(C3)C(=O)NNC4=CC=C(C=C4)[N+](=O)[O-] 1 3.422 3 3 -3.42420467890804 3697106 CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CS4 1 3.102 8 3 0 -24.8184408341708 3697071 COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3 1 2.601 1 4 -6.363677242975 3696996 CCC(=O)OC1=C2C(C3=C(N=C2C4=CC=CC=C41)N(C(=O)N(C3=O)C)C)C5=CC=C(C=C5)C 1 3.934 3 4 0 -18.5486784715739 3696989 COC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)O 1 1.926 1 6 0 -10.8738443444956 3696776 C1=CC=C(C(=C1)NC(=O)NC2=CC(=CC=C2)Cl)N3C=CN=C3 1 2.857 4 1 -3.4347341486529 3696771 CCCCCCN1CCN(CC1)C2=CC=CC=C2Cl 1 4.855 2 0 5.22979182946919 3696769 CC1CN(CC(O1)C)CC(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.112 3 2 -11.4779545188446 3696768 C1=CC(=CC=C1C2=NC3=C(N2OCC(=O)O)C=C(C=C3)Cl)Cl 1 1.994 2 3 0 2.64777804839686 3696766 CC1=CC=C(C=C1)C(=NNC2=CC=CC3=C2N=CC=C3)C 1 4.101 3 0 -2.42730946171415 3696759 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC=C2O 1 2.042 1 5 -0.685589498735724 3696711 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)C3=CNC(=C3)C(=O)NCC4=CC=CC=N4 1 3.021 4 3 0 -9.25031307190287 3696689 COC1=CC=C(C=C1)CCN2C3=C(C=C(C2=N)C(=O)NC4CCCC4)C(=O)N5C=CC=CC5=N3 1 2.544 5 3 0 -18.4744075169202 3696665 C1=CC=C2C(=C1)C(=CC=N2)C=NNC3=CC=C(C=C3)C(=O)O 1 3.264 3 2 0.624674240225888 3696658 CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC=NC=C4 1 1.979 9 3 0 -26.6034367532406 3696641 COC1=C(C=C(C=C1)C=NNC2=CC=CC=C2C(=O)O)CN3C=C(C=N3)[N+](=O)[O-] 1 3.189 5 5 0 -10.8171974680744 3696632 CC1=CC=CC=C1NC2=NC(=S)N(C23CCOC(C3)(C)C)C4=CC=CC=C4 1 4.958 3 1 -5.27341405270615 3696592 CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N(C(=N2)Br)CC3=CC=CC=C3Cl 1 2.84 4 4 0 -16.6618820242358 3696582 CC1=C(NC2=C1C=CC3=C2N=CC=C3)C 1 2.941 2 0 4.53990304767783 3696565 CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)S(=O)(=O)CC)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.375 1 8 0 -19.898551358429 3696564 CCOC(=O)NC(C1CCCCCC1=O)C2=CC(=CC=C2)Cl 1 4.142 1 3 -6.77404975131107 3696559 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=COC=C3 1 2.217 4 2 -9.63214619201178 3696529 CC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C(=O)C(=O)C4=CC=CC=C43)C 1 4.239 0 4 0.985185008709212 3696496 C1CC(OC1)CNC(=O)C2=CC(=CN2)C(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.514 2 3 -5.70007321438508 3696359 C1CS(=O)(=O)CC1N2C(=CC=N2)C3=CC=CC=C3 1 1.797 2 2 0 -14.2170839727446 3696341 C1=CC(=CC=C1C(CC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)O)Cl 1 4.903 0 3 -1.21898608095691 3696323 CCOC(=O)CC1=NN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3 1 2.625 3 3 -13.6852861257358 3696303 C1=CC(=CC=C1CON=CC2=CC=C(C=C2)OCCCF)Cl 1 4.39 1 2 3.04634697250926 3696302 C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)C(F)(F)F)OCCCF 1 4.072 2 2 -2.90990319468428 3696264 CCOC(=O)C1=C(SC=C1CC(C)C)NC=C2C(=O)CCCC2=O 1 3.206 1 4 -10.9954458930437 3696261 CC1C(C(C2(C(C1(NC2=O)N)C)C#N)(C#N)C#N)C3=CC=CC=C3 1 0.658 5 1 0 -3.84248904827169 3696260 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NNC3=NC4=CC=CC=C4S3 1 1.979 4 3 0 -1.442174556071 3696234 C1CCC(CC1)NC(=S)N2CCOCCN(CCOCCOCC2)C(=S)NC3CCCCC3 1 5.348 4 3 0 -12.8197285728793 3696213 C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C=NNC3=CC=C(C=C3)C(=O)O 1 4.948 2 3 5.70758686522229 3696191 CC1=C(C(=CC=C1)CN2C3=CC=CC=C3N=N2)O 1 3.468 3 1 -2.66390418074183 3696086 COC1=C(C=CC(=C1)C=NNC(=O)NC23CC4CC(C2)CC(C4)C3)OCC(=O)N 1 1.979 4 4 0 -14.1913154851729 3696051 CN1CC(C(C1)C(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F 1 3.637 1 1 1.53737562085203 3696046 C1=CC=C(C=C1)N2C=CN=C2SCC3=CC=C(C=C3)C(F)(F)F 1 5.109 2 0 1.71395627589816 3696027 CC(CS(=O)(=O)C1=CC=C(C=C1)Br)(C2=CC=CC=C2)O 1 3.382 0 3 -5.27075477858769 3696026 C1=CC=C(C=C1)C2=C(SN=N2)SCC3=CC=C(C=C3)Cl 1 5.236 2 0 -0.134712589003353 3696019 C=CCNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N 1 1.671 6 2 0 -6.91859966632255 3695977 CN1CC(C(C1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)N(C)C 1 4.053 2 1 0.812529849578497 3695845 CN=C(C1=CC(=CC=C1)C(F)(F)F)NC2=CN=CC=C2 1 2.666 3 0 2.17348599540002 3695832 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)NCC3CCC(CC3)C(=O)O 1 4.189 1 6 0 -20.1758492726621 3695828 CC(C)C1=CC=C(C=C1)C2C3=CC4=C(C=C3NC5=C2C(=O)OC5)OCO4 1 3.829 1 4 -10.7119925499115 3695827 CN1C(=O)C(NC1=S)CC2=CN=CN2 1 7.1e-002 4 1 0 -1.58680016667629 3695755 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)SCC(=O)NC3=NN=C(S3)C(F)(F)F 1 3.983 4 3 0 -12.441951552828 3695752 CC1=C(C=C2C(=C1)C(=CC(=O)N2)COC)NC(=O)C(F)(F)F 1 1.711 2 3 0 -11.3300277796329 3695715 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C4=NON=C4C(=C3)N(C)C)[N+](=O)[O-] 1 1.934 7 4 0 -9.14302826896077 3695704 COC1=CC=C(C=C1)CCN2C(=O)CC(SC2=NC3=CC=CC=C3)C(=O)N 1 3.214 3 3 -4.10070987830628 3695635 CC1=CC=C(C=C1)C2=C(SC(=N2)NN=CC3=CC=C(C=C3)N(C)C)NC(=O)C 1 3.649 5 1 -2.84253818954136 3695602 CC1=C(C=CC(=C1)OC)NC(=S)NCC2CCCO2 1 3.34 2 2 -14.0634233861885 3695590 CC1CC(=O)NN=C1C2=CC(=C(C=C2)NCCO)[N+](=O)[O-] 1 0.675 4 4 0 -10.6846752201298 3695556 CC1=CC=C(C=C1)C2=NC(=O)C3=C(N2)C=CC(=C3)N4CCCC4 1 3.602 3 1 -1.72510871913135 3695461 COC(=O)C1=NN(C(=C1C=NOC)Cl)C2=CC=CC=C2 1 2.665 3 3 -1.27110174711081 3695448 CC(C)C1=NC2=CC=CC=C2N1CCOC 1 2.81 2 1 -7.71813080736421 3695447 CC(=NNC1=NC2=C(O1)C=C(C=C2)Cl)C3=CC=CC=C3 1 3.523 3 1 0.398329814824322 3695414 COC1=CC=CC(=C1)N2C(=O)CC(C2=O)N3CCC4=CC=CC=C4C3 1 2.657 2 3 -0.838098148444495 3695410 CCC1=C2CCCCC2=C(C(=N1)NCCO)C#N 1 2.357 3 1 -4.84750198879275 3695399 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3 1 1.912 7 1 0 -22.1594584679822 3695338 CC1=NC2=C(C=NN2C(=C1)SCC(=O)NC3=CC=C(C=C3)OC)C4=CC=CC=C4 1 3.605 4 2 -10.9984653700257 3695297 C1=CC=C(C=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C3=CC=CS3 1 2.831 3 3 -6.96470655366493 3695192 CC1=C(C2=CC=CC=C2N1C)C=NNC3=NC4=CC=CC=C4N3 1 3.513 5 0 3.89456679354777 3695168 CCCCOC1=C(C=C(C=C1)C2=CN3C=CC=CC3=N2)[N+](=O)[O-] 1 3.724 3 3 -2.95498517448411 3695159 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C(C)C)NC(=O)OC(C)(C)C)C3=CC=C(C=C3)[N+](=O)[O-] 1 5.004 2 8 0 -19.9640449338114 3695158 CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2)C 1 4.045 1 2 -7.63295389816426 3695111 CC(C)C1=NN=C(S1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC=C(C=C5)O 1 3.556 3 4 0 -7.68174601944529 3695109 CC(=NNC(=O)C(=O)NCCO)CC(=O)NC1=C(C=C(C=C1)Cl)Cl 1 0.434 4 4 0 -10.4599644370249 3695106 CC(C)NC(=O)C(=O)NN=C(C)CC(=O)NC1=CN=CC=C1 1 -0.78 5 3 0 -14.7116062329933 3695103 CC1=NN(C=N1)C2=NC=C(C=C2)C(=O)OCC=C 1 1.188 4 2 0 -8.7300378250365 3695100 CC1=C(C=C2C(=C1)C(=O)C3=C(O2)C(=O)N(C3C4=CC=C(C=C4)C(=O)OC)CCCN(C)C)C 1 3.386 2 5 0 -9.76862939821796 3695098 CC1=CC=C(C=C1)C2C3=C(C(=O)N2C4=NN=CS4)OC5=CC=CC=C5C3=O 1 2.894 3 3 -9.90408670263414 3695091 CC(C)N=C(C1=CN=CC=C1)NC2=CC=CC=C2 1 2.45 3 0 -3.26155511929005 3695030 C1C(OC2=CC=CC=C2O1)C(=O)NCC(=O)NN=CC3=CC(=CC=C3)O 1 1.274 3 5 0 -6.86600045704902 3695027 CCOC1=NC(=NC(=C1[N+](=O)[O-])C)N2CCOCC2 1 0.85 4 4 0 -3.08381556517831 3695014 CC(=NNC(=S)N)CS(=O)(=O)C1=CC=C(C=C1)Cl 1 1.812 3 2 0 -6.88186899645757 3695005 C1CC(OC1)CNC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)F 1 2.76 4 3 0 -7.98891546035687 3694944 CC1(CCN2C(=O)CCC3=C2C1=CC=C3)O 1 0.991 1 2 0 -4.49391972399086 3694864 CNC(=O)C1=C(C=CS1)N2C=CC=C2 1 1.867 2 1 0 -8.52372985951999 3694814 COC(=O)CSC1=NC2=C(N1)C=CC=N2 1 1.181 3 2 0 -9.01477296281255 3694796 COC1=C(C=C(C=C1)C=NNC(=O)CCN2CCCCC2C3=CN=CC=C3)CN4C=C(C=N4)[N+](=O)[O-] 1 2.763 7 4 0 -12.2199960247998 3694793 CN(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 3.282 4 2 -2.61208237862293 3694715 C1CC(CN(C1)C(=O)C2=CC=CC=C2F)C(=O)N3CCC4=CC=CC=C4C3 1 3.128 2 2 -12.4124656557477 3694711 CC(CC1=CC=C(C=C1)OC)CC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 4.092 1 4 -10.7946371501531 3694700 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)O 1 1.123 3 4 0 -13.2933420838055 3694471 CC(C1=CC=C(C=C1)N2C=NN=N2)O 1 0.489 4 1 0 -12.4073986692708 3694440 CC1=CC=C(C=C1)C(=O)N2CC(C2)C(=O)O 1 1.189 1 3 0 -7.0331816103669 3694367 CCC(N1CCOCC1)P(=O)(OCC)OCC 1 0.832 1 4 0 -6.88461143652932 3694202 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC(=CC=C5)Cl 1 4.36 2 5 0 -14.1396421226261 3694136 CN1C=C(C(=N1)C(=O)N(C)C23CC4CC(C2)CC(C4)C3)Cl 1 3.129 3 1 -0.968556050196452 3694058 C1=CC(=CC=C1C(=O)NN=CC2=CC3=NC=CN=C3C=C2)Br 1 2.896 4 1 -3.7298405173163 3694011 CC1(COCN1C(=O)C2=CC(=C(C=C2)Cl)Cl)C 1 2.825 1 2 -2.2901636066219 3693907 CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4)[N+](=O)[O-] 1 1.454 2 7 0 -13.0253555372715 3693906 CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)C3C4CCC(C4)C3C2=O)[N+](=O)[O-] 1 1.898 2 7 0 -17.4673219371689 3693891 CCCCN1C(=NC=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.978 3 1 -6.19882857089869 3693866 CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)Cl 1 3.708 6 1 0 -4.17384238499215 3693847 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C 1 1.266 3 5 0 -18.9170296721087 3693818 C1=CC=C(C=C1)C(=O)CC(C2=C(C(=CC=C2)Cl)Cl)C(=O)O 1 4.238 0 3 -3.93946564969373 3693805 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC=C(C=C3)OC)C(=O)N4CCOCC4 1 2.306 3 5 0 -15.5050405280194 3693777 CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4 1 2.958 5 1 -12.9719310606317 3693773 C1CC(OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCO 1 -0.71 6 4 0 -4.24032440129515 3693706 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.114 3 4 0 -17.6909916314129 3693619 C1=CC=C2C(=C1)C(OC2=O)NC3=NC(=CS3)C4=CC=C(C=C4)F 1 3.773 2 2 1.74339677644228 3693567 C1CSC2=C(N1C(=O)NC3=CC=CC=C3)C=CC(=C2)Cl 1 3.753 2 1 -1.10767116295433 3693540 C1CN(CCC1C2=CC(=NN2)C3=C(C=C(C=C3)Cl)Cl)C4=C(C=CC=N4)[N+](=O)[O-] 1 5.276 5 2 0 6.30660399354064 3693474 CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=NNC3=NC=C(C=C3)[N+](=O)[O-] 1 2.891 5 4 0 -4.88639526805499 3693427 C1=CC=C2C(=C1)N=CC(=N2)[N-]S(=O)(=O)C3=CC=C(C=C3)N.[Na+] Na+ 1 1.677 4 2 0 0.650279761620863 3693355 CC1=C(C(C(=C(N1)SCC(=O)NC2=NC=CS2)C#N)C3=CC=CS3)C(=O)OCC=C 1 2.598 4 3 0 -42.1530461505854 3693334 CC(=O)N1C(OC(=N1)C2=CC=CC=C2)C3=CC=C(S3)[N+](=O)[O-] 1 2.9 3 4 0 -0.415497338632034 3693310 CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)C)O 1 5.449 3 3 -14.1374724299377 3693167 C1COCCN1CC2=CC=C(NC2=O)Cl 1 0.413 2 2 0 -5.72466041188544 3693157 COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 5.236 2 4 -14.0681769738362 3693151 C1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)OCCCF 1 4.064 2 1 3.85569197848643 3693150 CC(C1=NN(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)OC3=CC(=C(C=C3)C4=CC=CC=C4)F 1 6.286 2 3 2.77011558845481 3693136 CCC1=CC=C(C=C1)C(C)NC(=O)C2=CC=C(C=C2)F 1 4.146 1 1 -6.92847750539926 3693095 C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCO 1 0.789 6 3 0 -2.35356076160997 3693058 CCCCCCCCCCNC(=O)C(=O)NC1=CC=CC=N1 1 3.758 3 2 -11.9567211670843 3693016 CC1=CC(=CC=C1)OCC(=O)NC(CC2=CC=CC=C2)C(=O)O 1 2.881 1 4 -9.26513827294713 3692984 CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O 1 5.001 1 6 0 -14.9748859286331 3692937 CC(=NNC(=O)C1=CC=C(C=C1)O)C2=CC3=C(C=C2)OCCO3 1 2.207 2 4 -7.50280265532037 3692931 CC1=NN2C(=CC=NC2=C1)C3=CC=C(C=C3)OCCCF 1 2.779 3 1 -2.34474410829978 3692929 CC1C(=O)N(C2=CC=CC=C2N1C(=O)C3=C(C=CC=C3F)F)CC4=CC=C(C=C4)[N+](=O)[O-] 1 4.206 3 4 0 -8.19625972652389 3692928 C1=CC=NC(=C1)C(C#N)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.4 3 0 4.16032380337112 3692820 C1CS(=O)(=O)CC1NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 0.76 3 4 0 -10.5930235419189 3692778 CC1=CC=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC(=C(C=C3)F)F)C(=O)OC 1 3.861 1 4 -8.21941270585533 3692696 CNC1=C(C(=C(S1)C(=O)C2=CC=C(C=C2)F)N)C3=NC4=CC=CC=C4S3 1 4.588 3 1 -0.766394671599132 3692694 CC(C1=NN(C=C1)S(=O)(=O)C2=CC=C(C=C2)F)OC3=CC(=C(C=C3)C4=CC=CC=C4)F 1 5.827 2 3 1.13651586694527 3692677 COC1=CC=CC(=C1)C2C3=C(C(=O)N2C4=CC=CC=N4)OC5=CC=CC=C5C3=O 1 3.306 2 4 -5.7790734603511 3692654 CC1=CC=C(C=C1)NC(=O)C(=O)C2C3=CC=CC=C3NC2=O 1 1.942 2 3 0 -9.40881157478512 3692642 CC(C)CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=C(C=CC=C2Cl)Cl)O 1 5.541 1 3 -7.83704612707169 3692539 C1CS(=O)(=O)CC1NC(=O)CSC2=NN=C(S2)NCC3=CC=CC=C3 1 0.874 4 3 0 -24.9485039729031 3692535 CC(=O)NC1(C(=O)N(C(=O)N1)C2CCCCC2)C(F)(F)F 1 1.495 3 3 0 -7.87691667721715 3692527 CC1=CC(=C(S1)C)C(=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C(C)C)C 1 2.215 8 2 0 -22.5613370762307 3692449 COC1=C(C2=CC=CC=C2C=C1)C=NNC(=S)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCOCC5 1 3.632 5 5 0 -15.8820544114163 3692437 C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-] 1 4.749 3 6 0 -9.07250271062899 3692388 C1C(C(=O)NN=C1C2=CC=CC=C2)C3=C(C=C(C=C3)Cl)Cl 1 3.872 2 1 -3.71605805351264 3692332 C1CC(OC1)CN2C3=C(C=C(C2=N)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)N6C=CC=CC6=N3 1 0.964 5 5 0 -29.7441505287028 3692130 CC1=NN(C(=C1)NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3 1 4.896 3 2 -8.79463786821609 3692078 CC1=CC(=NNC(=S)NC2=CN=CC=C2)CC(C1)(C)C 1 3.541 4 0 -12.1386889694261 3692050 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 1.722 4 4 0 -20.5683950826358 3692013 CC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=C(N(C(=C2)C)CC3CCCO3)C 1 2.436 2 5 0 -25.3018596932784 3692012 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CCS(=O)(=O)C3=CC=CC=C3Cl 1 3.67 1 5 -14.4613824415619 3691990 CCOC(=O)C1=CNC(=S)N(C1=O)C2=CC=CC=C2 1 2.028 2 3 -7.87780442332229 3691945 COC1=CC=CC(=C1)NC(=O)C(=O)NCCC2=CC=C(C=C2)F 1 2.398 2 3 -8.8973206944533 3691839 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 2.032 2 7 0 -33.6863800095421 3691813 C1CCC(=CC1)CCNC(=O)COC(=O)COC2=C(C=C(C=C2)Cl)Br 1 4.32 1 4 -12.3453882954938 3691663 CC(C)NC(=O)NC(=O)CSC1=NC=CC=N1 1 0.68 4 2 0 -14.4434146527376 3691642 CCCC=NNC(=O)C1=CC=C(C=C1)F 1 2.24 2 1 -5.56754375133778 3691619 CC(=O)C1=NOC2C1C(=O)N(C2=O)C3=CC=CC=C3 1 0.385 2 4 0 -6.67599804170426 3691532 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=NC4=CC=CC=C4C=C3 1 2.876 4 1 -3.41598243751685 3691421 C1=CC=NC(=C1)C=NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 1.326 5 4 0 -5.72209932092731 3691415 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4N3 1 1.87 4 4 0 -21.9562880064222 3691393 C1C2C(CS1(=O)=O)SC(=S)N2C3=CC=CC=C3 1 3.169 1 2 -8.87162826465214 3691174 COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)O 1 3.807 0 3 -0.902572208328886 3691062 C1OC2=C(O1)C=C(C=C2)CN3C(C4=CC=CC=C4C3=O)O 1 2.009 1 4 -4.26717298588634 3691022 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=C3C4CC5CC(C4)CC3C5)C 1 4.526 4 1 -10.6769081364232 3690998 C1CC(C2=CC=CC=C2C1)NC(=S)NCC3=CC=CC=C3 1 4.84 2 0 -7.95458937728861 3690909 CCOC(=O)NN=C(C)C1=C(C=C(C=C1)OC(F)F)OC(F)F 1 3.602 2 4 -5.9521795905993 3690908 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4CCOC4=O 1 3.525 1 5 -6.9470716931909 3690907 CC1(C2CC=C(C1C2)C=NNC(=O)OC)C 1 2.111 2 2 -0.743175905603331 3690863 CCCCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C 1 3.438 1 4 -9.45184762358081 3690861 CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2 1 1.663 2 3 0 -19.7259179783516 3690835 CC1=C(C(=CC=C1)OCC(=O)NN=CCC(C)C2=CC=CC=C2)C 1 4.126 2 2 -4.33045735792404 3690797 CC1=CC(=C(C=C1)OC)NC(=O)C2=CN=C3N(C2=O)C=CS3 1 1.096 3 3 0 -14.663512734052 3690721 CCCC(=NNC(=O)CNC(=O)C1=CC=C(C=C1)Cl)C2=CC=CC=C2 1 3.511 3 2 -14.1046547524713 3690694 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 4.884 4 4 0 -13.0565599816765 3690582 CN1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)F)Cl 1 1.342 3 2 0 -6.63300513700199 3690580 COC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NCC3CCCO3 1 0.659 2 4 0 -19.0149378245852 3690577 CCC1C(=O)N(C2=CC=CC=C2S1)CC(=O)NC3CCCCC3 1 3.31 2 2 -8.73331777186137 3690559 CCOC1=CC=C(C=C1)N=C2C(=C(C(S2)C(=O)NC3=CC=CC=C3C#N)N)C(=O)NC4=CC=C(C=C4)Cl 1 3.979 5 3 0 -0.688091496445382 3690550 CC1=NN(C2=C1C=C(S2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)OC)O)C5=CC=C(C=C5)F 1 4.589 4 5 0 -4.96417317096761 3690465 CC1=C(C=C(C=C1)C2=NC3=C(N2CC(C)C)C(=O)NC(=O)N3CC(C)C)[N+](=O)[O-] 1 4.383 5 4 0 -10.7386748379788 3690451 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=C(C=C3)Br 1 3.591 3 5 0 -9.3180680128505 3690443 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O 1 1.151 3 6 0 -5.83684661695269 3690440 CC1=CC(=NO1)NC(=O)CSCCC2=CC=NC=C2 1 1.324 3 2 0 -15.4995070840713 3690438 COC(=O)C1=C(C=CS1)NC(=O)CSCCC2=CC=NC=C2 1 1.994 2 3 0 -11.0085178585317 3690409 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.689 4 3 0 -16.6155448703909 3690356 CC1CCC2=C(C1)SC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC 1 3.788 3 3 -15.123888438698 3690229 CCOCCN1C2=CC=CC=C2N=C1C3=CC=CC=C3 1 3.694 2 1 -2.16851673390213 3690219 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC4=C(S3)C=C(C=C4)F 1 2.98 3 3 -10.6677061830309 3690200 CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)Cl)[O-] 1 2.936 2 4 -1.0838744107953 3690150 C1COCCN1CCNC(=O)CN2C(=O)COC3=CC=CC=C32 1 -0.288 3 4 0 -13.7615835331347 3690131 CC1CCCC(C1C)NC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3 1 1.988 3 3 0 -13.5012016883515 3690100 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl)F 1 2.615 1 6 0 -22.6776372693365 3690052 CN(C1CCCCC1)C(=O)CSC2=NC=NC3=C2C=CS3 1 3.317 3 1 -14.2086604243324 3690045 CC1=CC=C(C=C1)C2C3=C(NC(=C2C(=O)OC)C)N(C(=O)N(C3=O)C)C 1 1.817 3 4 0 -28.0776495777107 3689829 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)C)C 1 2.95 5 2 0 -14.8606973857975 3689806 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CCOC4=CC=C(C=C4)Cl 1 3.554 2 3 1.11193330479183 3689803 CC1=C(C=CC(=C1)N2C(=C3C(=NN=C3N=C2SCC4=CC=CC=C4F)C)N)Cl 1 5.097 5 0 -6.3284524269852 3689802 CC1=C(C=CC(=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NC4=CC=C(C=C4)Br)C)N)Cl 1 4.693 6 1 0 -9.56184223734151 3689756 C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=CC=CC=C3NC2=S 1 3.663 2 3 -10.4908967450348 3689713 CCCCCCCCSC1=NNC2=NC(=O)C=C(N21)N 1 3.43 5 1 -16.0887311848501 3689708 CCOC(=O)C1=C(N=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)Cl)C)C 1 3.337 3 3 -1.92967317109947 3689704 CC1=CC(=C2C(=C1)C(=C(N2)C(=O)NN=CC3=CC=CC=C3C(=O)O)C4=CC=CC=C4)[N+](=O)[O-] 1 4.797 4 5 0 -4.07109376976124 3689692 C1=CC=C(C=C1)NC(=O)C2=NN(C=C2)C(=O)C3=CC=CC=C3Cl 1 3.805 3 2 -6.7066420935838 3689609 CC1=CC(=NN1)C(=O)NNC(=O)CCCCC(=O)NNC(=O)C2=NNC(=C2)C 1 -0.588 8 4 0 -13.0996643874372 3689586 CCC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCC(CC3)C 1 2.336 3 3 -16.9597626532522 3689583 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 1.636 4 5 0 -22.2376080808528 3689582 CC(C)(C)C(=O)N1C(CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=CS3 1 3.056 3 3 -11.8192827559167 3689416 COC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl 1 4.309 2 3 -11.1879302445149 3689415 COC1=CC=CC(=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl 1 4.309 2 3 -10.3292051250136 3689413 COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)Cl 1 4.973 2 3 -12.3724491487698 3689411 C1=CC=C(C=C1)CCNC(=O)C(C2=CC=CS2)N(C3=CC=C(C=C3)Cl)C(=O)CCl 1 4.99 2 2 -9.34990255508092 3689347 CCOC(=O)C1=C(N(C(=NC(=O)C2=CC(=C(C=C2)C)C)S1)C)C 1 3.631 2 3 -11.221387003778 3689307 CC1=CC2=C(C=C1)NC(=C2C3=CC=CC=C3)C(=O)NN=CC4=CC=CC=C4C(=O)O 1 4.902 3 3 -2.43310291068933 3689276 C1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 3.111 3 4 0 -20.9817974461613 3689109 C1CC=CC(C1)C2C(=C(SC(=C2C#N)N)N)C#N 1 1.691 4 0 0 -2.29152736842341 3689076 C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=CC=NC=C3)Br 1 4.461 3 3 -6.67446134754797 3689032 C1COCCN1CCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.126 3 5 0 -9.2355755689956 3688989 CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NN=CC3=CC=CS3 1 4.848 2 1 -10.4601328699352 3688965 CC1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.162 3 5 0 -17.9988784765914 3688853 CSCCC(C(=O)O)NC(=O)COC1=CC=CC=C1 1 1.166 1 4 0 -17.4280801092216 3688820 C1CN(CCC1CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 3.816 2 1 -4.72607933268289 3688667 CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC=C(C=C3)Cl)C(=O)CCC2 1 1.912 4 1 0 -17.0223031965879 3688662 C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)Cl 1 4.114 1 1 0.182426906779501 3688611 CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=C(C=C(C=C4)OC)OC)C(=O)C5=CC=CC=C5 1 4.64 3 3 -16.2545201433493 3688570 CC1=C(C(=CC=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O)C 1 3.888 2 3 -8.64945565026936 3688563 C1COCCN1CCCN2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=NC=C5 1 1.718 3 5 0 -14.1254473042995 3688342 CC1=C(C(=CC=C1)C)N2C(=O)C(=CC3=CC=NC=C3)SC2=C(C#N)C(=O)C4=C(NC5=CC=CC=C54)C 1 5.466 4 2 -1.97362026339362 3688338 C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CCl 1 2.637 2 3 -17.5194898064305 3688258 C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)F)F)C(=O)C3=CC=CO3 1 1.643 3 3 0 -6.68421156247489 3688235 C1=CC=C(C=C1)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl 1 4.606 1 4 -7.6230614192483 3688225 CCOC(=O)C1=C(C2=C(S1)N=C(S2)NC(=O)C3CCCCC3)C 1 4.408 2 3 -6.87639278698476 3688143 COC1=CC=C(C=C1)N2C(C3=CC=CC=C3C2=O)O 1 2.218 1 3 -4.91616229982461 3688005 COC1=CC=C(C=C1)N2CCC(C2)CNC(=S)NC3=CC(=CC=C3)OC 1 4.389 3 2 -3.84228444145257 3688004 CCC1=CC=CC(=C1NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC)C 1 5.834 3 1 -4.88044144259991 3688003 COC1=CC=C(C=C1)NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC 1 4.389 3 2 -4.52236651551683 3688002 CC1=CC(=CC(=C1)NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC)C 1 5.378 3 1 -4.08481157212935 3687826 C1=CSC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)F 1 2.686 1 3 -9.40831096023263 3687816 CC(C)OC1=CC=C(C=C1)C(CC(=O)O)N2C=NN=N2 1 1.192 4 3 0 -13.2791811123312 3687766 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CC5=CC=C(C=C5)Cl 1 3.955 6 2 0 -8.77683319479991 3687679 CC1(C(=O)N(C(=O)N1)CC(=O)NCC(F)(F)F)C2=CC3=C(C=C2)C=C(C=C3)OC 1 2.035 3 4 0 -10.6799308511142 3687677 CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 3.433 5 3 0 -17.7250699538109 3687665 CC1=CC(=C(C(=C1)C)NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC)C 1 5.864 3 1 -3.35704053554418 3687664 CC1=CC(=CC=C1)NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC 1 4.892 3 1 -1.80840201997015 3687661 CCOC1=CC=C(C=C1)NC(=O)NCC2CCN(C2)C3=CC=C(C=C3)OC 1 3.172 3 3 -3.10403338809852 3687660 COC1=CC=C(C=C1)N2CCC(C2)CNC(=O)NC3=CC=C(C=C3)Cl 1 3.504 3 2 4.24312345400242e-002 3687658 COC1=CC=C(C=C1)N2CCC(C2)CNC(=O)NC3=CC(=CC=C3)OC 1 2.823 3 3 -1.92580432420008 3687643 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC(=O)N 1 -0.78 3 6 0 -12.1109374921811 3687615 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NC3=CC=CC(=C3)C 1 2.801 3 2 -14.484468561439 3687325 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NN=CC2CC3CC2C=C3 1 2.518 3 2 -10.8817843414419 3687310 COC1=CC=CC=C1C2C(=O)C3=C(O2)NC4=C(N3)C=CC(=C4)[N+](=O)[O-] 1 2.576 3 5 0 -9.85515168601032 3687255 CC(C)C1C(=O)NC2=C(N1)C=CC(=C2)S(=O)(=O)N3CCOCC3 1 0.577 3 4 0 -23.6886738926361 3687233 C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4C#N 1 1.479 3 5 0 -20.1713147969546 3687124 CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=N2)Cl)Cl)OCC(=O)N3CCOCC3 1 2.792 3 7 0 -18.303928373306 3687113 CC1=CC=C(C=C1)N2C(=O)C3C(N4CCCN4C3(C2=O)C)C5=CC=CC=C5 1 2.349 3 2 3.6351824049242 3687019 C1=CC(=CC(=C1)NN=CC2=CC=CS2)C(=O)O 1 3.032 2 2 -2.59909829601439 3686832 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5 1 3.876 3 3 -15.7690884593894 3686684 CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.292 3 7 0 -28.0104418741827 3686662 CC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)CCl 1 3.196 1 1 -6.27388060202465 3686604 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)[N+](=O)[O-] 1 2.523 5 4 0 -20.8826217566799 3686576 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)NC3CCCCC3 1 3.572 2 3 -2.75248854252499 3686471 CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)NC3CCS(=O)(=O)C3 1 0.837 5 4 0 -30.1460753060856 3686447 C1C(N(N=C1C2=CC=C(C=C2)Cl)C(=O)CSC3=NNC(=N3)N)C4=CC=CO4 1 2.838 6 2 0 -10.6378830062205 3686380 CC1=CC(=CC=C1)S(=O)(=O)NCC2CCCO2 1 1.586 1 3 0 -8.31177465908757 3686341 C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.32 4 4 0 -15.0466402919564 3686335 CCN1C=C(C(=N1)C)C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)OC 1 2.928 4 4 0 -10.6287460236342 3686332 CC(C)(C)C1=CN(C(=S)N1)C2=CC=C(C=C2)Cl 1 4.381 2 0 -0.365210630727918 3686320 COC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 0.943 3 7 0 -27.2442187224746 3686297 COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=NC4=CC=CC=C4S3 1 2.716 4 5 0 -14.2052464262069 3686230 CC1=C(C(=NO1)C)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 0.974 2 5 0 -6.00196224666055 3686137 C1CCCC(=NNC(=O)C2=CC=C(C=C2)F)CCC1 1 3.526 2 1 -7.80176612475092 3686096 CC1=C(C2=C(N=CN=C2S1)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)F 1 5.223 4 0 6.16382965559211 3685910 CC1=CC(=NO1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)OC 1 2.429 3 4 0 -10.9341341494029 3685908 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C=C(C=C3)F)F 1 3.701 2 3 -2.24664154022322 3685907 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.058 2 5 0 -5.60358853842031 3685906 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=CC=C3SC 1 3.832 2 3 -8.04965815575012 3685905 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC(=CC=C3)O 1 3.048 2 4 -0.115256138676802 3685904 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(N=CC=C3)Cl 1 3.013 3 3 -3.1334810109368 3685837 CCC1=CC=C(C=C1)OCC2=NNC(=S)N2C(C)CCCC(C)C 1 5.75 3 1 -12.0865809801012 3685806 CS(=O)(=O)N1C(=CC(=N1)OC(=O)C2=CC=CS2)N 1 1.357 3 4 0 -9.09637149286074 3685791 CN(C1=NC2=CC=CC=C2N=C1)N=CC3=CC(=CS3)Br 1 3.722 4 0 4.67373293548905 3685735 CN1C2=CC=CC=C2SC1=NC(=O)CCl 1 2.681 2 1 -4.97963152197986 3685691 COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.03 4 8 0 -29.7196733664732 3685249 CCC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)C 1 3.933 8 3 0 -24.0113025351019 3685221 C1CS(=O)(=O)CC1NC(=O)CSC2=NN=C3N2C=C(C=C3Cl)Cl 1 1.584 4 3 0 -21.7854231960346 3685220 C1=CC=C(C=C1)NNC(=O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.757 5 6 0 -10.0291679777697 3685214 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 1 2.539 3 5 0 -18.5927213575379 3685209 CC1=CC(=C(C=C1)NC(=O)C2=CC=CC3=NC4=CC=CC=C4N=C32)C 1 4.816 3 1 -4.7292581249462 3685108 C1CN=C(N1)C23CC4CC(C2)CC(C4)C3 1 2.008 2 0 -1.21727550390018 3685070 C1=CC=C(C=C1)CS(=O)(=O)CC(=O)NC2=NC=C(C=C2)Cl 1 2.052 2 3 -5.5680068391608 3685057 CC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NN=CC3=C(C(=CC=C3)OC)OC 1 2.766 4 3 0 -3.68083250775856 3684814 C1CN(CCN1C(=O)CC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.732 2 3 -21.474964575416 3684786 COC(=O)CC1C(=NC(=O)S1)NC2=CC=C(C=C2)O 1 1.731 2 4 0 -6.57549941918066 3684684 CC(C)N1C=C(C(C(=C1)C(=O)OC)C2=CC(=C(C(=C2)Br)OC)OC)C(=O)OC 1 2.822 1 6 0 -11.6775563219359 3684623 CC(=O)ON=C(C1=NON=C1N)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 1.348 7 5 0 -4.31939211652718 3684544 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C(C=C4)C(F)(F)F 1 3.011 3 2 8.38563542729232 3684314 CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F 1 1.231 3 4 0 -4.52647042785964 3684290 CCSC1=NC2=C(C(=O)N1C(C)C)SC3=CC=CC=C32 1 4.464 2 1 -6.26113102364038 3684274 CCC(C)C(C(=O)O)NCCC(=O)C1=CC=C(C=C1)OCC 1 0.18 1 4 0 -11.9535393058447 3684206 CC1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C 1 2.689 2 2 -15.8074657422927 3684136 CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NCC2=CC=CO2 1 3.143 1 3 -2.4227186244894 3684101 CN1C=C(C2=CC=CC=C21)CCCC(=O)NCC3=C(C=CC(=C3)OC)OC 1 4.035 2 3 -13.3997807099639 3684100 CCOC1=C(C=C(C=C1)CNC(=O)CCCC2=CN(C3=CC=CC=C32)C)OC 1 4.384 2 3 -18.2051822463571 3684099 CN1C=C(C2=CC=CC=C21)CCCC(=O)NCC3=CC=CC=C3 1 4.068 2 1 -12.9699204110039 3684098 CN1C=C(C2=CC=CC=C21)CCCC(=O)NCC3=C(C=CC(=C3)Br)OC 1 4.8 2 2 -13.107199429406 3683918 CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)O 1 2.864 1 2 -11.0884706499871 3683859 CC1=C(SC(=N1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC=CO5)C(=O)OCC=C 1 3.266 2 6 0 -21.1194560117764 3683814 C1=CC(=CC=C1C2=CN=NN2C3=CC=C(C=C3)N)Cl 1 3.316 4 0 3.48718608612545 3683813 CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)N3C4CCN(CC4C5=C3C=CC(=C5)C)C 1 3.929 3 5 0 -7.73117737990473 3683585 C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53 1 3.816 4 3 0 -25.3781607165154 3683478 CC1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 1.13 2 6 0 -28.6771629624939 3683454 CC1=C(C=CC(=C1)[N+](=O)[O-])NC2CCCC2 1 3.421 2 2 -3.28775412689211 3683313 CC1=CC2=C(C=C1)C(=C(S2)C(=O)NCCCN3C=CN=C3)Cl 1 3.146 3 1 2.07611409441359e-002 3683276 COC1=CC(=C(C=C1)NCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4)OC 1 0.896 4 7 0 -23.5743742857368 3683258 CN(C1CCCCC1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC(=C(C=C3OC)OC)Cl 1 4.134 2 7 0 -22.9068112386988 3683246 CC(=O)N1C(=O)C(CN1C2=CC=CC=C2)(C)COC(=O)C 1 1.27 2 4 0 -4.24544541697926 3683239 CCC(C(=O)NC1=NN=C(S1)C(C)C)SCC(=O)OCC 1 2.359 3 3 -18.0315800234647 3683206 CN(C)C(=O)COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl 1 1.381 3 6 0 -19.356104610414 3683100 CN1C=CC=C1C2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.54 5 3 0 -6.79757963850397 3683098 CN(C)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3 1 2.501 3 3 -14.6511978106575 3683023 CCC(C)C1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)C3=NN=CO3 1 3.399 3 3 -5.80568613803908 3683002 CCN1C(=O)C(SC1=NS(=O)(=O)C2=CC=C(C=C2)F)C 1 2.701 2 3 -5.79951521821481 3682996 CC1=C(C(N2C(=O)CSC2=N1)C3=CC=C(C=C3)C(C)C)C(=O)NC4=CC=CC=C4 1 4.33 3 2 -25.4274642640932 3682964 CCOC(=O)C1=C(N(N=N1)CC(=O)N2C(CC(=N2)C3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)OC)C(=O)OCC 1 4.534 5 6 0 -15.4362111438693 3682678 C1CSC2=NC=C(C(=O)N21)C3=CC=C(C=C3)Cl 1 2.621 2 1 -2.73546423487609 3682675 CC1=CC=C(C=C1)N2C(=NN(C2=O)CCOC3=CC=CC=C3)C 1 3.316 3 2 -3.13697827034718 3682674 CC1=NN(C(=O)N1C2=CC=C(C=C2)OC)C 1 1.181 3 2 0 -4.29909111169946 3682673 CC1=NN(C(=O)N1C2=CC=CC=C2)C 1 1.198 3 1 0 -4.14742809769756 3682669 CC1=NN(C(=O)N1C2=CC=CC=C2)CC3CC3 1 2.018 3 1 -4.61698044389249 3682665 CCC1=CC=CC(=C1NC(=S)N(CCN(C)C)C(C)C2=CN=CC=C2)C 1 5.425 4 0 -11.0626965055713 3682663 CC1=CC(=C(C(=C1)C)NC(=S)N(CCN(C)C)C(C)C2=CN=CC=C2)C 1 5.455 4 0 -9.44190137199075 3682643 CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NN 1 1.037 6 3 0 -12.6045337226339 3682589 CC(C)(C)C1=C(C(C(=C(O1)N)C#N)C2=CN=CC=C2)C#N 1 1.604 4 1 0 -4.35915558332834 3682556 CC1=CC2=C(C=C1)C(=NC(=N2)NC3=NCN(CN3)CC4CCCO4)C 1 2.335 6 1 0 -7.46878126642628 3682487 CC1CC2=CC=CC=C2N1C(=S)NC(=O)C3=CC(=CC=C3)Br 1 5.32 2 1 -11.4209556719429 3682328 CC1=NN(C(=O)N1C2=CC=CC=C2Cl)CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.34 4 3 0 -3.75526685067753 3682294 CN1C(=CC2=C1N=C3C=CC=CN3C2=O)C(=O)NC4=C(C=CC(=C4)OC)OC 1 1.804 4 4 0 -15.7554937243538 3682293 CN1C(=CC2=C1N=C3C=CC=CN3C2=O)C(=O)NC4=C(C=C(C=C4)OC)OC 1 1.804 4 4 0 -17.6628616030207 3682292 CN1C(=CC2=C1N=C3C=CC=CN3C2=O)C(=O)NC4=CC(=C(C=C4)OC)OC 1 1.804 4 4 0 -18.51461184265 3682263 CC1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.171 7 4 0 -8.36641639585315 3682235 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)OC)C4=NOC(=C4)C)O 1 2.625 2 6 0 -17.2798096429288 3682192 CC1=CSC2=NC=C(C(=O)N12)C(=O)NC3=CC=C(C=C3)C(F)(F)F 1 2.082 3 2 -7.44831191620625 3682188 C1CN(C(=N1)SCC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.821 3 3 -14.7631856848784 3682087 CC1=C(SC2=C1C(=O)N=C3N2CC4=CC=CC=C43)C 1 2.871 2 1 -2.29992321182334 3682085 CC1(C(OC(=O)C(C1=O)(C)C)C2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-])C 1 4.192 2 5 0 -6.96684274292119 3682060 CCC1CCCCN1C(=S)NC2=CC=C(C=C2)SC(F)F 1 6.23 2 0 -10.4952816770997 3682017 COC1=C(C2=C(C=C1)C(=C(S2)C(=O)NCC3CCCO3)Cl)Cl 1 3.862 1 3 -9.58975050833002 3682004 CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)CCl 1 3.156 1 3 -10.460148477422 3682002 CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O)C(=O)OC 1 2.537 1 8 0 -17.0539493542665 3681998 C1CC2(N(C1=O)C(CS2)C(=O)O)C3=CC=C(C=C3)F 1 1.592 1 3 0 -3.68698759883951 3681996 CC(=NNC(=O)NC1CCCCC1)C2=CC=C(S2)Cl 1 3.266 3 1 -5.46636366001306 3681984 CCCCCOC1=CC=C(C=C1)N2C(=O)C(CNC2=S)C 1 4.195 2 2 -5.94347153086555 3681818 CC1=NC(=CC=C1)NC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)F 1 4.616 2 1 -8.50344647557891 3681718 C1CN(C(C2=CC=CC=C21)CC(=O)O)S(=O)(=O)C3=CC=CS3 1 2.15 1 4 -16.7433856839431 3681703 CCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3 1 1.626 4 2 0 -6.3596670802076 3681700 C1=CC=C(C=C1)OC2=CC=CC(=C2)CC3C(=O)NC(=O)S3 1 3.645 1 3 -4.54421096811594 3681518 COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NS(=O)(=O)C3=CC=CC=C3Cl 1 3.969 2 5 0 -17.5883154306108 3681497 CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 4.968 1 4 -18.81180523585 3681428 CCC1=CC=CC=C1NC(=S)N(CCOC)C(C)C2=CC=CO2 1 5.109 2 2 -10.5043859587339 3681427 CCC1=CC(=CC=C1)NC(=S)N(CCOC)C(C)C2=CC=CO2 1 5.109 2 2 -8.40461141665831 3681425 CCC1=CC=CC(=C1NC(=S)N(CCOC)C(C)C2=CC=CO2)C 1 5.595 2 2 -10.9680972978989 3681422 CC1=C(C(=CC=C1)C)NC(=S)N(CCOC)C(C)C2=CC=CO2 1 5.139 2 2 -10.4391079289502 3681420 CC1=CC(=C(C=C1)NC(=S)N(CCOC)C(C)C2=CC=CO2)C 1 5.139 2 2 -11.0490311556643 3681418 CCOC1=CC=C(C=C1)NC(=S)N(CCOC)C(C)C2=CC=CO2 1 4.499 2 3 -10.2647087848949 3681291 CC1=NC(=C(C=C1)OCC(=O)NCC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 2.006 3 5 0 -12.1158957553545 3681177 CC1=CC(=CC(=C1)NC2=NC(=O)C3=CC=CC=C3N2)C 1 3.374 3 1 -3.20731253920394 3681004 CC1=CC=CC=C1NC(=S)N(CCOC)C(C)C2=CC=CO2 1 4.653 2 2 -10.9487770612023 3681002 COC1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)N2CCOCC2)[N+](=O)[O-] 1 0.704 3 7 0 -9.70883112723719 3680932 C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)N3CCC4=CC=CC=C43 1 4.703 2 1 -12.4035282132637 3680900 C1CC2(CCC1C3=CC=CC=C3)N4C(CC(=N4)C5=CN=CC=C5)C6=CC=CC=C6O2 1 4.516 3 1 3.00194591272406 3680894 C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CO3)F 1 2.409 4 3 0 -19.7580415707337 3680812 C1=CC=C(C=C1)C=NNC(=O)CCCC(=O)NC2=CC=C(C=C2)Br 1 3.223 3 2 -10.6417918819217 3680779 C1CN2C(=C(C=N2)C(=O)O)C(=O)N1CC3=CC=CS3 1 0.957 3 3 0 -7.07873714193886 3680619 CC(C1=CC=CO1)N(C2=CC=CC=N2)C(=O)C3=CC(=CC(=C3)Cl)Cl 1 4.787 2 2 -3.96276842483989 3680509 CC1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5)C 1 3.444 2 3 -5.40889308592771 3680414 CCOC(=O)CC1C2=CC3=C(C=C2C(=O)O1)C(OC3=O)CC(=O)OCC 1 1.713 0 8 0 -9.35615344699126 3680379 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl 1 3.119 3 2 -9.50271692860522 3680378 CC1(CC2=C(CNC3=CC=CC=C3N2)C(=O)C1)C 1 2.226 2 1 -16.9655897289055 3680143 C1CCC(C1)N2C(CCC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.783 2 4 0 -13.8291215753679 3680094 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC=CC=C3)S(=O)(=O)C 1 2.224 2 4 -12.7336686019887 3680008 COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4CCCO4 1 2.312 3 4 0 -14.3071414112474 3679991 CC(CNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCOCC2)O 1 0.175 3 6 0 -14.1868549435464 3679895 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(N=CC=C3)SC 1 2.562 3 4 0 -25.2188110614327 3679844 CC(C)C1=CC=C(C=C1)C2N(N=C(O2)C3=CC(=CC=C3)Cl)C(=O)C 1 4.781 2 2 -0.297032252590135 3679708 C1=CC(=CC=C1NC(=O)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)F 1 4.71 2 3 -6.02109865877767 3679607 CC1=CC=CC=C1N2CCN(CC2)C(=S)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 5.882 3 3 3.91915976554517 3679605 CN1C(=O)C(=CC2=CN=CC=C2)C(=O)N(C1=O)C 1 0.125 3 3 0 -7.87939777078024 3679586 CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CC#N 1 1.889 4 2 0 -16.4722438827065 3679439 COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC 1 1.919 1 9 0 -22.0235336473661 3679389 COC1=CC=C(C=C1)N(CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC(=CC=C5)OC 1 4.439 2 5 0 -6.48002746900351 3679315 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4 1 2.232 3 8 0 -28.7295159255778 3679306 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 0.187 2 6 0 -10.1731884420841 3679287 CCOC(=O)CSC1=NNC(=N1)NC(=O)C2=CC(=CC=C2)C(F)(F)F 1 2.977 4 3 0 -9.9256383813089 3679262 COC1=C(C=C(C=C1)C=O)OC2CCCC=C2 1 3.105 0 3 -4.97709316368401 3679261 C1=CC(=C(C(=C1)Cl)CN2C=CC=C(C2=O)NC(=O)C3=C(C=CC=C3Cl)Cl)Cl 1 4.612 2 2 -11.9063920599623 3679102 CN(CCC1=CC(=C(C=C1)OC)OC)C2CC(=O)N(C2=O)C3=CC=CC=C3 1 2.888 2 4 -5.31690954445498 3679021 CC1=C(SC2=NC(=CN12)C3=CC=CC=C3)C(=O)NC4=CC=NC=C4 1 2.456 4 1 0.491718988429002 3679006 C(CC(=O)O)C(C(=O)O)NC(=O)N 1 -1.169 2 5 0 -14.9917422552961 3679005 COC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN=CN2)C(=O)O 1 0.138 3 5 0 -12.1114301713717 3678995 CC(C(C)(C)C)NC(=S)NC1=C(C=C(C=C1)OC(F)F)OC(F)F 1 5.966 2 2 -9.90854847279449 3678912 COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC)[N+](=O)[O-] 1 2.15 2 9 0 -14.5906053429469 3678812 C1CN(CC2=C1NC3=CC=CC=C23)C(=O)CCCCl 1 2.638 2 1 -8.59314300461485 3678809 C1COCCN1CC(C2=CC=C(C=C2)F)O 1 1.286 1 2 0 -1.19290710595559 3678808 CC1=CC2=C(C=C1)SCC(C2=O)NC(=O)C3=CC=C(C=C3)F 1 3.481 1 2 -2.82706557884339 3678534 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3 1 2.734 1 5 -13.3765797023178 3678363 CCOCC(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2 1 1.309 1 4 0 -12.9697234728729 3678362 CC1(C(=O)N(C(=O)N1)CC(=O)NC(=O)NC(C)(C)C)C2=CC=CC=C2 1 0.847 4 4 0 -13.1161841347507 3678358 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC(=O)N 1 0.432 4 4 0 -11.8020236111422 3678354 COC(=O)C1=C(C=C(C=C1)OC(=O)C2=CC=NC=C2)O 1 1.724 1 5 0 -5.68298130462849 3678331 CC1(CC1(Cl)Cl)C(=O)NN=CC2=C(C(=C(C(=C2F)F)F)F)F 1 3.458 2 1 -3.7998275093186 3678328 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)COC(=O)C4=CC(=CC=C4)Br 1 4.048 1 5 -9.62267311412949 3678319 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=C(C=C3OC)OC)OC 1 3.085 2 6 0 -23.4683099828242 3678270 CC1C2CCC3(C(CCC(=C)C3(C2OC1=O)O)O)C 1 1.572 0 4 0 -2.98114110675339 3678159 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 2.435 4 3 0 -6.01719530210292 3678150 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC(=C3O)[N+](=O)[O-] 1 4.629 1 4 -3.26929715796011 3678077 CC1=CC(=NC=C1)NS(=O)(=O)C2=CN=C(C=C2)Cl 1 1.915 3 2 0 -4.62249382069109 3678007 CC(C1=CC=CC=C1Br)NC(=O)CCl 1 2.615 1 1 -9.12130023598207 3677830 COCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=NC=C4 1 0.694 4 5 0 -26.1161964558324 3677818 CC1=C(C=C(C=C1)OCCSC2=NC=NC3=C2C(=C(S3)C)C)C 1 5.429 2 1 -4.52847682981275 3677740 C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(S4)Cl 1 5.322 2 3 -4.80122006428961 3677701 CN(C)CC1=C(NC2=CC=CC=C21)C(=O)NC3=CC=CC=C3 1 3.273 3 1 -1.37555190237447 3677654 CC1(CC1(Cl)Cl)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 4.086 1 1 -6.53012948993789 3677650 CC1=CC=C(C=C1)CSCC(C(=O)O)N 1 -0.827 1 2 0 -9.9043981125289 3677628 CC1=CC(=CC(=C1)NC(=S)N(CCCOC)C(C)C2=CC=NC=C2)C 1 4.762 3 1 -6.36365538051999 3677484 COC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2CCCCCCC2 1 3.582 1 5 -12.5801406858879 3677366 CC(C)(C)N1C(=C2CSCC2=N1)NC(=O)CC3=CC=CS3 1 2.825 3 1 -9.4478362816557 3677354 CC(=O)N1C(OC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br 1 3.565 3 4 0 -6.09500216021655 3677334 CC(=O)NC1=NN(C(S1)C2=CC=CS2)C(=O)C 1 1.555 3 2 0 -13.6310320112247 3677285 CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)N3CCCCC3C 1 3.099 3 2 -26.2167706275397 3677282 CCOC(=O)C1=C(N=C(C(=C1)C(=O)NN)C)C 1 -4.1e-002 3 3 0 -6.84736259187756 3677278 CC(C)(C)C(=O)NC(CC(=O)O)C1=CC=CC=C1 1 2.261 1 3 -15.3393253208273 3677272 C1CN2C(N(C(=S)N2C1)C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 4.861 3 0 -1.01373275846745 3677232 CC(C)CCNC(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=NC=C4 1 2.405 4 4 0 -26.9562543825122 3677231 CC1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=NC=C5 1 3.216 4 4 0 -22.3085314517691 3677229 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCC4=CC=CC=C4)C5=CC=NC=C5 1 2.408 4 4 0 -23.8482639167533 3677224 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCCC4=CC=CC=C4)C5=CC=NC=C5 1 2.73 4 4 0 -23.1233463565487 3677189 C=CCNC1=NC(=NC(=N1)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)N5CCOCC5 1 3.055 7 2 0 2.42295825504783 3677188 CCC12CN3CCN(C1)CC(C3)C2=NNC(=O)C4=CC=NC=C4 1 0.499 5 1 0 -10.375332351347 3677186 C1OC2=C(O1)C=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43 1 3.548 3 2 -5.77368817406671 3677165 CC1(OCCCO1)CC(=O)NN=CC2=CC(=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)OC 1 3.772 2 5 0 -11.0607997246231 3677149 C1=CC(=CC=C1N=CC2=CC(=C(C=C2)Br)[N+](=O)[O-])[N+](=O)[O-] 1 3.963 3 4 0 5.10929636201748 3677107 C1C(CN(C1C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)O 1 0.842 1 5 0 -8.19790398248002 3677098 CC1=CC(=C(C=C1)NC(=O)COC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)Cl 1 1.394 5 5 0 -19.814057887176 3677031 CC1=CC=CC=C1N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=CO5 1 3.668 2 4 -9.71183806664232 3676999 C1=CC(=CC=C1C2=NC(C(=O)NC3=C2C=C(C=C3)Br)O)Cl 1 3.593 2 2 0.286693682164157 3676937 CN(C)C(CNC(=O)C1=CC2=CC=CC=C2O1)C3=CC=CC=C3 1 3.384 2 2 -2.03566873493439 3676923 CC1=CC(=C(C=C1)O)NC(=O)C2=NN3C(=C2)N=C4C(=C3C(F)(F)F)CCC5=CC=CC=C54 1 5.479 4 2 -3.93584493391902 3676914 CC1=CC(=CC(=C1)OC2=CC=CC=C2CO)C 1 3.758 0 2 1.47226083611024 3676873 CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)OC 1 3.271 4 4 0 -11.000457350653 3676869 CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)C3=C(C=CS3)NC2=S 1 1.818 4 4 0 -13.3571135329839 3676837 CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=C(C=C4)C(C)C)C(=O)O 1 4.499 1 5 -7.97681451945805 3676835 CC1=CC(=C(C=C1C)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)SCC(=O)O)C 1 3.709 1 5 -3.37589119975622 3676800 C1CN(CCC1CC2=CC=CC=C2)CCNC(=O)CN3C(=O)COC4=CC=CC=C43 1 2.681 3 3 -7.44778073090938 3676796 C1CCN(CC1)CCCNC(=O)CN2C(=O)COC3=CC=CC=C32 1 1.003 3 3 0 -11.5557647607381 3676732 COC1=CC=C(C=C1)NC(=O)COC(=O)CC2C(=O)NC3=CC=CC=C3S2 1 1.888 2 5 0 -14.4227735052296 3676681 CC1C(=O)CCCCCCCCCC2C1(CS2(=O)=O)N3CCOCC3 1 3.079 1 4 -8.89449785767636 3676679 CC(=NNC(=O)CNC1=CC=C(C=C1)F)C2=CC3=CC=CC=C3O2 1 3.124 3 2 -3.20998116909149 3676655 C1=CC=C(C=C1)CCC(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.846 2 5 0 -19.329139637371 3676639 CCCN1C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4 1 3.553 3 3 -8.26937270515581 3676567 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N6CCOCC6 1 3.386 4 6 0 -19.6020173194146 3676549 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NCCCCC2=CC=CC=C2 1 5.325 1 2 -8.01766047029356 3676411 COC1=CC=C(C=C1)C2=CC(NC(=S)N2)C3=CC(=C(C=C3)OC)OC 1 3.722 2 3 -8.70107570025399 3676406 CC1=C(C=C(C=C1)NC(=O)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC(=CC=C3)Cl 1 4.067 3 6 0 -4.18667544974597 3676263 C1=CC(=CN=C1)CNC(=O)NC2=CC=C(C=C2)Cl 1 2.043 3 1 -5.19393813045953 3676271 C1C(CN(C1=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Br)C(=O)O 1 3.046 1 4 -7.93389782863186 3674104 CCC(C)N1C(CCC1=O)C(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.321 3 2 -7.07337739806931 3674099 CC(C)N1C(CCC1=O)C(=O)NCC2=C(C=C(C=C2)OC)OC 1 1.307 2 4 0 -13.8943014398757 3673913 CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=CS2 1 2.665 1 4 -11.8401519163355 3673827 CC1=CSC(=NC2=CN=CC=C2)N1CC3=CC=CO3 1 1.967 3 1 0 -4.13180903965759 3673810 CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CC4=CC=CC=C43 1 2.764 9 2 0 -23.5317386636498 3673742 CP(=O)(C1=NC2=CC=CC=C2N1CC=C)O 1 2.066 2 2 -3.17108846082743 3673560 CC1CCCC(=NNC2=CC(=C(C=C2)Cl)C(=O)O)C1 1 3.719 2 2 -7.77581655184215 3673472 CC1=CC(=NC2=NC(=CN12)CSC3=NN=C(S3)SCC4=CN5C(=CC(=NC5=N4)C)C)C 1 3.367 8 0 0 -6.92501752904714 3673460 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)NCC3=CC=CO3)C 1 1.951 2 4 0 -15.4526494238187 3673458 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C 1 1.853 2 3 0 -21.909481587872 3673454 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCOCC3 1 0.413 2 4 0 -22.8349410674645 3673453 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCCC3 1 1.642 2 3 0 -20.8767583460148 3673451 CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCC3=CC=CO3 1 1.284 2 4 0 -14.0654576677934 3673394 C1=CC=C2C(=C1)C(=NN3C2=NC(=C3)C4=CC=C(C=C4)Br)N 1 3.499 4 0 2.92307228656989 3673369 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NC(C)(C)C)C 1 1.438 1 3 0 0.257911349585289 3673038 CC1(C2CCC1(C(=O)N(C2=O)NC(=O)C3=C(C=CC(=C3)Cl)O)C)C 1 2.554 2 4 -1.6477430125972 3673006 CC(=O)OC1C(OCCO1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 3.25 2 4 -10.4219202250155 3672938 CC1=CC(=C[N+](=C1)C2=C(SC(=N2)[O-])C=NNC(=S)N)C 1 2.835 5 1 -9.28101855001037 3672922 CN(C1=CC=C(C=C1)Br)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCCN4CCOCC4 1 1.649 4 5 0 -21.1725656106873 3672920 COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)N4CCCCCC4 1 3.581 2 3 -1.35234515005921 3672746 CC1=C(C=C(N1CC(=O)N2CCCCC2)C3=CC=CC=C3)C(=O)C 1 3.007 2 2 -8.79041002793903 3672669 CC1=C(C=CC(=C1)Cl)OCCCC(=O)NN 1 1.895 2 2 0 -1.12891770736921 3672610 COC1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.387 3 6 0 -10.0171558663174 3672465 CC(C)CC1C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)OC(F)F 1 2.203 3 4 0 -10.0267505540085 3672387 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Br 1 1.971 2 4 0 -17.3838739607964 3672384 CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)CNC(=O)C3=CC=CC=C3F 1 3.015 3 4 0 -10.7256402153577 3672307 CC(C1=CC=C(C=C1)OC)NS(=O)(=O)CC2=CC=CC=C2 1 2.692 1 3 -7.59069730636336 3672271 C=CCOC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2 1 3.222 1 3 -16.7688008898671 3672184 CCCCCCCCC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F 1 4.494 3 4 0 -7.91593202761494 3672168 C1C(=O)NC2=C(C=C(C=C2)F)C(N1C(=O)C3=C(C=CC=C3F)F)C4=CC=C(C=C4)F 1 4.068 2 2 -18.5522662925097 3672018 CC1=CC(=NC2=CC=CC=C12)SCC(=O)[O-] 1 1.59 1 2 0 -1.40121456074835 3671978 CP(=O)(OC1=CC=CC=C1)OC(C2=CC=CC=C2)C(F)(F)F 1 3.877 0 3 -2.42845446095793 3671837 CCN(C(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C)C23CC4CC(C2)CC(C4)C3 1 2.852 2 3 -11.6605463963171 3671778 C=CCSC1=NSC(=N1)NC(=O)NC2=CC=C(C=C2)F 1 3.278 4 1 -5.15685743411138 3671703 C1=CC=C(C(=C1)CNCC(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O)F 1 4.496 1 1 0.412777574396669 3671700 CC1=NN(C(=O)N1C2=CC=C(C=C2)Cl)CC3CC3 1 2.682 3 1 -2.53367855816344 3671492 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC(COC3=CC=CC=C3)O 1 2.273 2 6 0 -10.9248305224216 3671479 CCOC(=O)C1=C(NC2=CC=CC=C2N=C1N)C 1 1.326 3 2 0 -12.9472110686321 3671364 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)N3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 3.437 3 5 0 -33.9249496632665 3671282 CC(C)CC(=O)NNC(=S)NC1=CC(=C(C=C1OC)Cl)OC 1 3.616 3 3 -15.2246124762151 3671277 C1COCCN1CCCNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4 1 2.273 4 3 0 -19.403687499858 3671251 CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)Cl 1 4.008 2 4 -21.3591000021964 3671187 CC1=CC2=C(C=C1)C(=CO2)CC(=O)OC(C)C(=O)NC3=C(C=C(C=N3)Cl)Cl 1 4.347 2 4 -1.78942497713459 3671102 CC(=NN1C(=CSC1=NC)C2=CC=CS2)C3=CC=CO3 1 2.985 3 1 -3.87234111855473 3670956 CC(C(=O)OCC(=O)NC1=C(C=C(C=N1)Cl)Cl)N2C(=O)C3=CC=CC=C3C2=O 1 2.407 3 5 0 -10.0349375013102 3670856 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl 1 1.59 4 5 0 -21.5947930713785 3670812 CC(CS(=O)(=O)CC1=CC=C(C=C1)OC)(C2=CC=CC=C2)O 1 2.624 0 4 -4.39040198224451 3670758 CCOCCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=CC=C3)C(=O)N4C=CC=C(C4=N2)C 1 1.619 4 4 0 -25.3497450912669 3670604 CCOCC(CS(=O)CC1=CC=CC=C1)O 1 0.974 0 3 0 -1.62843524512181 3670550 CC1=CC=C(C=C1)CNC(=O)CCNC(=O)C2=CC=C(O2)Br 1 2.379 2 3 -17.1061615965346 3670504 CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC5=C(O4)C(=CC=C5)OC 1 3.123 2 7 0 -18.1980373122881 3670377 C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)NNC3=CC=C(C=C3)[N+](=O)[O-] 1 3.679 3 5 0 -5.27024590407702 3670323 CC(=O)C1=CN(C(=O)NC1=O)N(C)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.684 4 3 0 -3.70692919891115 3670313 CCOC(=O)C1CCCN(C1)C(=O)N2CCOCC2 1 0.28 2 4 0 -11.0058492326526 3670290 C1OC2=C(O1)C=C(C=C2)C=NN3C4=CC=CC=C4N=C3N 1 2.759 4 2 6.03459961474732 3670283 C1C=NN(C1C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)Cl 1 3.236 3 1 1.20741180121447 3670246 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)C=C(C=C5)OC 1 3.832 2 6 0 -15.545619016821 3670200 COC1=CC=CC=C1C2=NN=C(O2)NC(=O)C3=COCCO3 1 0.352 3 5 0 -7.19452705847261 3670172 CC1CCCCC1NC(=O)CCCCCN2C(=O)C3=C(C=CS3)NC2=S 1 4.814 3 2 -17.6884201937033 3670171 CCOC(=O)N1CCN(CC1)C(=O)CCCCCN2C(=O)C3=C(C=CS3)NC2=S 1 3.051 4 4 0 -12.8147692945284 3670092 C1C(N2C(=O)C3=CC=CC=C3N=C2S1)CSCC4=CC=C(C=C4)Cl 1 4.945 2 1 -13.6622143689186 3670093 C1C(N2C(=O)C3=CC=CC=C3N=C2S1)CSCC4=CC(=CC=C4)C(F)(F)F 1 5.223 2 1 -12.7184441319695 3670081 C1C(N2C(=O)C3=CC=CC=C3N=C2S1)CSCC4=CC=CC=C4 1 4.281 2 1 -16.4674409612974 3670080 C1C(N2C(=O)C3=CC=CC=C3N=C2S1)CSCC4=C(C=C(C=C4)Cl)Cl 1 5.609 2 1 -13.6324727668001 3670078 CCC1=C2CSC(CC2=C(C(=N1)Cl)C#N)(C)C 1 3.587 2 0 -7.3382913854054 3669977 CN1C(=C(C(=N1)C(F)(F)F)C=NOCC2=CC=C(C=C2)Cl)SC3=CC=CC=C3C(=O)OC 1 6.062 3 3 0.699359470375333 3669957 C1CN(CC=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)F 1 4.108 2 1 -2.02480791582031 3669863 CC1(CC(=NNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC(=O)C1)C 1 1.16 3 5 0 -28.4154611307091 3669812 CCCNC(=O)CN1C2=CC=CC=C2OC1=O 1 1.478 2 3 0 -10.9761170770554 3669736 COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)NC3=CC=CC=C3F 1 3.408 3 2 -7.84146792853384 3669734 CCOC(=O)N1CCN(CC1)C(=O)CCCCN2C(=O)C3=C(C=CS3)NC2=S 1 2.595 4 4 0 -12.7575191769921 3669702 CCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC 1 3.192 3 5 0 -19.2172958979169 3669658 COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F 1 4.438 1 3 -5.71494890429965 3669551 C1C(OC2=CC=CC=C2C1=NNS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 3.896 2 3 -1.73171961061843 3669548 CC(=NNC1=C(C=C(C=C1)F)F)C2=CC=C(S2)Br 1 4.361 2 0 4.76773333817256e-002 3669529 CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C)C 1 2.197 4 2 -12.1772007535623 3669496 CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4 1 1.315 6 4 0 -14.7859521149374 3669487 CC(C1=CC=CC=C1)NCC2=CC=CC=C2O 1 3.086 1 1 7.29134201976084 3669383 C1C=CCC(C1C(=O)NNC2=CC=CC=C2)C(=O)O 1 1.839 2 3 0 -3.06022169680073 3669275 CCN1C=C(C2=CC=CC=C21)C(C3=CC=CC=C3)C(C(=O)C)[N+](=O)[O-] 1 4.113 2 3 -4.88504255862082 3669290 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NC(C)C)N3CCCC3 1 4.453 4 0 -9.9608621837311 3669237 CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2CCC(=O)N2 1 1.534 2 4 0 -17.0916191068085 3669227 C1CCC2=NS(=O)(=O)NC(N2CC1)C3=CC=C(C=C3)F 1 1.775 3 2 0 -4.11219246121906 3669223 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5Cl 1 3.918 4 5 0 -34.4703250566992 3669186 COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C3N2C=CC=C3 1 2.636 4 2 -19.0774177926572 3669135 C1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)F 1 3.71 3 1 -10.7621395651065 3669068 C1CC(OC1)CNC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3 1 0.644 4 4 0 -29.7919064287718 3669063 CC1=CC=C(S1)C=NNC2=CC(=C(C=C2)Cl)C(=O)O 1 3.841 2 2 -0.408132092044339 3668878 CCOC(=O)C1=C(N(N=N1)CC(=O)NC2=CC=CC=C2)C(=O)OCC 1 1.777 4 5 0 -18.0719154580475 3668798 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3 1 1.113 3 5 0 -19.2364369636956 3668762 C=CCN1C(=CC(=O)N=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)O 1 3.854 2 3 -12.0261725923389 3668675 CN1C2=C(N=C1NCCCOC)N(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C 1 1.498 5 3 0 -9.32816415140727 3668544 CC1=C(C=C(C=C1)NC2=CC(=NS(=O)(=O)C3=CC=CS3)C4=CC=CC=C4C2=O)C 1 5.018 2 3 -0.338916121729852 3668500 COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C6=NC(=NN6C=N5)CC7=CC=CC=C7)OC 1 6.055 4 3 0 -13.8929621178464 3668385 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 1.694 4 7 0 -18.4853402037715 3668350 C1COCCN1C(=O)CNC(=O)OCC2=CC=CC=C2 1 0.553 2 4 0 -11.9672114952002 3668273 CCCNC(=O)C12CCC(C1(C)C)(C(=O)C2Br)C 1 2.573 1 2 -10.8759752691931 3668265 CC(=NNC1=NC2=CC=CC=C2N1)C3=CC=C(C=C3)N4CCOCC4 1 2.699 5 1 0.211816250037009 3668253 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=CO3)NC4=CC=CC=C4 1 3.257 7 1 0 -2.76058085851968 3668243 COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC(=O)OCC(=O)C3=CC=CC=C3 1 2.875 2 6 0 -18.0191504832764 3668127 CCN1CCC2(CC1)N3C(CC(=N3)C4=CN=CC=C4)C5=C(O2)C(=CC=C5)OC 1 2.721 4 2 0.939029165196593 3668102 CCCNC(=O)CC(=NNC(=O)COC1=C(C=C(C=C1)C)Br)C 1 2.321 3 3 -11.9597889124851 3667990 CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)O)OC)CC3=CC=CC=C3)O 1 2.036 1 5 -16.3406984573111 3667936 CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1 1 1.568 2 1 0 -9.17120877274677 3667935 CC(C)(C)NC(=O)C1CC2CCCCC2CN1 1 1.939 2 1 0 -9.82965841737596 3667922 CCC(C)(C(=O)NC1CCCCC1)NC(=O)CC2=CNC3=CC=CC=C32 1 3.604 3 2 -16.4776960516396 3667908 CCC1=NC2=CC=CC=C2N1CC(COCC3CCC=CC3)O 1 3.581 2 2 5.27065033072443 3667623 CSCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)Br 1 2.079 1 3 -18.5397288043235 3667550 C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)O 1 4.106 1 6 0 -16.6398094321754 3667529 CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=CN2 1 2.488 2 3 -11.3009378199214 3667446 CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=NNC4=CC=CC=C43 1 4.321 5 2 0 -11.8531416536424 3667374 CCCCC1=NC2=CC=CC=C2N1CC(=O)NN 1 1.753 4 1 0 -6.00981890501816 3667337 COCCNC(=O)C1CC2=C(O1)C=CC3=CC=CC=C23 1 1.86 1 3 0 -7.97357748747521 3667327 CC1=C(N2C(=C(C(=N2)SC)C#N)N=C1C)C 1 2.114 4 0 -7.53119035867104 3667318 C1CCC(CC1)C(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.917 3 2 1.22852433812958 3667189 C1CCN(C1)C2=C(C(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-] 1 2.334 6 2 0 0.388274818834 3667124 CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2C(=C(C(=O)N2)CCO)C 1 1.956 2 4 0 -4.34759768637999 3667066 C1=CC2=C(C(=C1)N)N=NN2C3C(C(C(C(O3)CO)O)O)O 1 -1.262 4 5 0 -13.8170058567518 3666833 CC(C)CCN(C(C)C1=CC=CC=N1)C(=S)NC2=CC=CC(=C2)C(F)(F)F 1 6.703 3 0 -3.53019889612013 3666774 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC 1 2.476 2 9 0 -18.7262451984897 3666723 CC(C1=C(C=CC(=C1)OC)OC)NC(=O)C 1 1.301 1 3 0 -8.5665935683483 3666713 C1=CC=C2C=CC(=C2C=C1)N=NC3=CC=CC=C3 1 5.107 2 0 9.47637586825928 3666700 CCCC1=C(C=C(C(=C1)C(=O)CC2=CC=CC=N2)O)O 1 3.461 1 3 4.64156952095788 3666634 CC1=CC2=NC(=C(C=C2C=C1)C=NNC3=CC=C(C=C3)C(=O)O)Cl 1 4.624 3 2 4.2698967832293 3666621 C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 2.109 2 3 -2.51091303077142 3666593 CC1=CC(=C(C=C1NC(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4)OC)[N+](=O)[O-] 1 3.311 4 6 0 -12.657701228023 3666533 C1=CC=C(C=C1)C(C[N+](=O)[O-])P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 5.123 1 3 -6.20649417735989 3666468 CC1=CC=CC(=C1)C=NN(C2=NC(=CS2)C3=CC=C(C=C3)Br)C(=O)C 1 4.98 3 1 3.76635481151003 3666374 CC1=CC(=C(C(=C1)C)NC(=O)CC(=NNC(=O)CC2=CC=CC=C2)C)C 1 3.448 3 2 -7.68531342702917 3666319 COC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N 1 3.121 4 6 0 -26.6289307526094 3666205 C1=CC=C(C=C1)CN(C2=CC=CC=C2)N=CC3=CC(=CC=C3)O 1 4.996 2 1 4.21027342693128 3666062 CCCNC1=NC(=O)C(S1)CC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.493 3 4 0 -20.3128539284097 3665998 COC1=CC=CC(=C1OC)CSCC(=O)NCCC2=CC=CC=C2 1 3.31 1 3 -14.141127536872 3665942 CC1=C(C(N2C(=O)C(=CC3=CC=CO3)SC2=N1)C4=C(C=C(C=C4)OC)OC)C(=O)C 1 3.341 2 5 0 -23.6191974214143 3665884 C1=CC(=CC=C1C(C#N)C2=C(C=C(C=N2)C(F)(F)F)Cl)O 1 3.881 2 1 8.3157616962763 3665845 C1CC(OC1)CNC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl 1 1.736 3 3 0 -11.4386550749746 3665822 CC1=CC=CC=C1C(=O)ON=C(C2=CC=NC=C2)N 1 1.722 3 2 0 0.985402834519527 3665818 CC1=CC(=C(C=C1)S(=O)(=O)N(CCC(=O)O)C2=CC=C(C=C2)OC)C 1 3.209 1 5 -9.37748277871997 3665777 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)C#N 1 2.972 3 3 -17.3884378061163 3665773 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)NCCC(=O)O 1 3.082 2 4 -21.4955960246415 3665771 C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)C(=O)NCCCC(=O)O)Cl 1 2.572 2 4 -17.3806372594515 3665769 C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)C(=O)NCCC(=O)O)Cl 1 2.251 2 4 -14.0648975137721 3665766 C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)C(=O)O)N 1 2.722 2 2 6.02851729513378 3665630 C1COCCN1CC2=CC=C(C=C2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.339 4 4 0 -7.5956616705352 3665594 COC1=C(C=C(C=C1)NC(=O)COC(=O)C2CC2)S(=O)(=O)N3CCCCC3 1 1.433 2 6 0 -23.6194691596878 3665589 CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4 1 3.276 5 5 0 -30.2788956578474 3665528 CC1=CC=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 2.565 3 5 0 -15.3515424342277 3665415 CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 3.024 3 4 0 -19.9277218395651 3665398 CC1CCC(CC1)NC(=O)CCN2C(=C(C=C2C3=CC=CC=C3)C(=O)C)C 1 4.242 2 2 -13.1732519760278 3665397 CC1=C(C=C(N1CCC(=O)NC2CCCCC2)C3=CC=CC=C3)C(=O)C 1 3.991 2 2 -10.9295428299153 3665396 CC1=C(C=C(N1CCC(=O)NC(C)(C)C)C2=CC=CC=C2)C(=O)C 1 3.064 2 2 -13.5737622471355 3665375 C=CCN1C(=NN=C1SCC(=O)NC2CCS(=O)(=O)C2)C3=CC=C(C=C3)Cl 1 2.257 4 3 0 -21.7467739837039 3665347 COC1=C(C=CC(=C1)C2C3=C(C(=O)N2CC4=CC=CO4)OC5=CC=CC=C5C3=O)O 1 2.864 1 6 0 -6.11855958361974 3665299 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCN(CC2)C3=CC=CC=N3 1 1.755 5 3 0 -8.56669020522245 3665290 CCNC(=O)NC(=O)C(C)OC(=O)C1=C(C=C(C=C1)SC)OC 1 1.883 2 5 0 -7.91723966009554 3665251 CC1=C(C=C(C=C1)C(=O)NCC(C)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-] 1 3.033 4 6 0 -15.1770159588566 3665194 CCC1=CC=CC=C1NC(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC(=CC=C4)OC)N)C 1 3.72 6 2 0 -14.4533937118381 3665150 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4 0 -23.3573547778421 3661473 CC1=CC=C(C=C1)NC=C2C(=O)CC(CC2=O)C3=CC(=CC=C3)Cl 1 4 1 2 -7.74392180124492 3661417 CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-] 1 3.163 3 4 0 -5.45125547861592 3661415 C1=CC(=CC=C1C(=O)CN2C=NC(=C2Cl)Cl)F 1 2.717 2 1 -2.10540479245252 3661397 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5 1 4.282 4 2 -4.35046443644279 3661396 COCCNC(=O)CN1C(=O)C2(CCCC3=CC=CC=C32)NC1=O 1 0.643 3 4 0 -12.6996372833749 3661390 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NNC(=O)CC3 1 1.264 4 3 0 -17.2220304253017 3661078 C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F 1 1.959 4 5 0 -22.2061323026515 3661024 CC1=CC=C(C=C1)C(=O)C2=NC=CN2 1 2.014 2 1 -2.20711456376467 3661005 CC1=CC=C(C=C1)N2C(=O)C3CCC(C2=O)(C3(C)C)C 1 3.36 1 2 -4.58243332287868 3660986 CCOCCCNC(=O)CN1C(=O)CSC2=CC=CC=C21 1 0.724 2 3 0 -19.2774743084708 3660964 CCC(C)N1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2CCC5=CCCCC5)C 1 5.328 5 1 -13.0022815413266 3660905 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC(=C4)C(F)(F)F)OC 1 4.255 5 4 0 -23.1940020120002 3660822 COC1=CC(=C(C=C1)C=NN=C2N(C(=O)C(S2)CC(=O)O)C3=CC=CC=C3)OC 1 3.565 3 5 0 -10.5927655649258 3660818 CC(=NNC(=O)C1CC1)C2=CC=C(C=C2)N3CCOCC3 1 1.607 3 2 0 -9.21453288221487 3660808 CC1(CC(C(C(N1)(C)C)C(C2=CC(=CC=C2)[N+](=O)[O-])O)O)C 1 1.343 2 4 0 -5.86727131890353 3660802 C1CC1C2=NN=C(S2)NC(=O)CN3C(=O)C4CC=CCC4C3=O 1 0.563 4 3 0 -11.6526608725036 3660800 CC(=O)C1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2 1 0.832 0 7 0 -7.14254043774685 3660797 CN1C(CC(O1)COC(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.79 1 3 -3.87108218448832 3660782 CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC=CO4 1 3.072 8 3 0 -23.1238991673425 3660697 CCC(C)NC(=O)CCC1=NC2=CC=CC=C2N1C3=CC=CC=C3 1 4.062 3 1 -15.6365084297642 3660663 CC1=C(C=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=C(C=CC=C4Cl)F)C 1 4.309 3 3 -5.45525727850159 3660587 CCCCNC(=O)C1=C2NC(=O)C3=C(N2C(=S)S1)C=C(C=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC 1 4.58 4 5 0 -22.0275315138448 3660554 CC1=NN(C(C1)(C)O)C2=NS(=O)(=O)C3=CC=CC=C32 1 0.311 3 3 0 -4.57049769321591 3660521 CN(C)CCNC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-] 1 2.339 5 3 0 -11.4023160294861 3660502 CCOC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)O)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 2.726 4 4 0 -6.96131104613786 3660500 CCOC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)Br)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 3.716 4 3 0 -8.53915274697587 3660498 CCOC1=C(C=C(C=C1)C=NNC(=O)CC2=CC=C(C=C2)F)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 3.208 4 3 0 -8.02521762033632 3660494 CCOC1=C(C=C(C=C1)C=NNC(=O)COC2=CC=C(C=C2)Cl)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 3.467 4 4 0 -6.98592369614604 3660422 C=CCNC(=O)C1=CC=C(C=C1)N2C=CC=C2 1 2.531 2 1 -10.7108720121287 3660374 CC(=NNC1=CC(=CC=C1)Cl)C2=CC=C(C=C2)N3C=CN=C3 1 3.763 4 0 2.17194260608233 3660363 CC1=CC=C(C=C1)NC2=C(N=C3N2C(=CC(=N3)C)C)C4=CC=CO4 1 4.668 4 1 0.412555652988503 3660279 CCCN1C(=O)NN=C1SCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3 1 1.416 5 5 0 -30.4614074610194 3660272 CCNC1=NC(=NC(=N1)N(CC)C(=S)N)NCC 1 1.211 7 0 0 -6.29010556723546 3660186 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 4.674 1 2 -7.85758429011669 3660113 CC1(C(=O)NC2=CC=CC=C2O1)C(=O)NCCOC 1 0.209 2 4 0 -14.2282778316783 3660075 CC1=CC(=C(C=C1)C)NC(=O)C(=O)NCCC2=CNC3=CC=CC=C32 1 3.475 3 2 -14.5655118810468 3660066 CC1=C(C(=NN1CC2=NNC(=S)N2CC3=CC=CC=C3)C)Cl 1 3.279 5 0 -5.5456168954269 3660056 CCCCOC(=O)N1C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC1=O 1 3.336 2 6 0 -12.3559159973621 3660044 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C(C)C 1 4.304 2 4 -11.1109867284121 3660037 CCN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2 1 3.063 2 3 -8.97890906284596 3660025 C1CC1NC(=O)C(=O)NN=CC2=C(C=CC=C2Cl)Cl 1 2.191 3 2 -10.0844807913671 3659970 COC1=C(C=C(C=C1)C(=O)NCCCCCC(=O)NN=CC2=CC=CO2)OC 1 2.587 3 5 0 -21.2563819158937 3659969 CC1=NC(=CC=C1)NC(=O)C23CCC(C2Br)(C3(C)C)C(Br)Br 1 4.159 2 1 -2.13060732943521 3659932 CCC1=NN=C(S1)NC(=O)C(=O)NCCOC(=O)C2=CC=CC=C2Cl 1 1.874 4 4 0 -20.8047021542292 3659919 CC1=CC=C(C=C1)N(C(=O)C2=CC=CC=N2)C3(CCCCC3)C(=O)NC4CCCC4 1 4.974 3 2 -15.1671905446601 3659729 COC1=CC=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=CC=C3 1 2.963 3 5 0 -9.83142158898684 3659711 CCC(C)NC(=O)CSC1=NC(=O)C2=C(N1)N(C(=S)S2)C3=C(C=CC(=C3)Cl)OC 1 5.167 4 3 0 -22.4678224229238 3659705 CCOC1=C(C2=CC=CC=C2C=C1)C3C(=C(N(C(=S)N3)C)C)C(=O)OC 1 4.129 2 3 -13.8715326199041 3659662 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)N(C=O)C3=CC=C(C=C3)OC 1 4.388 2 3 -8.02479203543719 3659640 CCOC1=C(C=C(C=C1)CNC(=O)CCS(=O)(=O)CC2=CC=CC=C2C)OC 1 3.056 1 5 -20.949974133048 3659636 C1CNC(=S)C(C2=CC=CC=C21)C3=CC=CC=C3 1 3.735 1 0 -7.18062926666398 3659619 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC(=C(C=C4)OC)OC 1 4.432 4 6 0 -7.40790573162621 3659581 CCOC(=O)CC1=CNC(=S)NC1=O 1 0.281 2 3 0 -11.8951765124471 3659484 CCOC(=O)C1=C(NC(=O)NC1C(C)C)C 1 1.022 2 3 0 -21.1378727781957 3659399 C1=CC(=CC=C1NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl)F 1 3.833 1 3 -5.74732109850296 3659398 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=C(C=C(C=C3)F)F)C)C 1 3.399 1 2 -11.6296403682596 3659376 CC1=C(C=C(C=C1)NC(=O)C2CCCC2)S(=O)(=O)N3CCOCC3 1 1.911 2 4 0 -13.1805810077479 3659366 CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)C)CC4=CC=CC=C4 1 1.897 5 2 0 -11.6410316610771 3659357 CCC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)CC2=CC=CC=C2F 1 3.402 1 3 -15.3266281278761 3659340 COC1=CC=C(C=C1)NC(=S)NC2=C(SC=C2)C(=O)OC 1 4.159 2 3 -9.57402778307818 3659304 CN1C=C(C2=CC=CC=C21)SCC(=O)NC3=NC=CS3 1 2.504 3 1 -9.56644179514901 3659254 C1=CC=C2C(=C1)N=NN2CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.171 5 3 0 -14.1107443784502 3659199 CC1=NC(=C(C=C1)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] 1 2.31 3 6 0 -15.1182251212763 3659125 CC1=C(C=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)NCCOC)Cl 1 3.355 3 2 -7.81092725995748 3659089 CC1=C2C(C(OC2=C(C=C1)[N+](=O)[O-])(C)C)N3CCCC3 1 3.158 2 3 -2.82422518263954 3659088 CC1=CC=C(C=C1)CN2C=CC(=N2)C3CC3 1 3.59 2 0 -5.64442300508548 3659040 CC1=NN(C(=C1[N+](=O)[O-])NN=C(C)C2=C(C=C(C=C2)F)F)C 1 2.791 5 2 0 -0.889073739921608 3659006 CN(C)C1=CC(=C(C=C1)C2C3CC(C2(C#N)C(=O)O)C=C3)Br 1 3.157 2 2 -4.58500782510031 3658974 CCCCOC1=C(C=C(C=C1)CSC2=C(NC(=N2)C)[N+](=O)[O-])[N+](=O)[O-] 1 3.868 4 5 0 -8.57749432188204 3658937 C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3CC=CCC3C(=O)O)C#N 1 3.777 2 3 -18.7926495195298 3658845 CCCOC1=C(C=C(C=C1)C(NC(=O)CC(C)C)NC(=O)CC(C)C)OC 1 3.938 2 4 -11.6207434028573 3658807 C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OCC2=CN=C(S2)Cl 1 2.595 3 5 0 -2.036055731361 3658782 CC1CCCN(C1)C2=C3CCCCC3=NC4=CC=CC=C42 1 4.935 2 0 0.421956430764341 3658675 CC(C1=CC2=C(C=C1Br)OCCCO2)NC(=O)CC3=CC=CC=C3 1 3.63 1 3 -10.5532238393986 3658666 COC1=C(C=C(C=C1)C2C(C(=O)N2C3=CC=CC=C3)(F)F)OC 1 3.126 1 3 -5.33549767745507 3658584 CC(=NNC(=O)CNC(=O)C1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)OC)OC 1 1.463 3 6 0 -10.5936893298565 3658567 COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)SC)[N+](=O)[O-])OC 1 2.033 4 5 0 -16.8174253119613 3658558 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 0.854 4 8 0 -30.8961656768012 3658522 C1=CC(=CC(=C1)NN=CC2=CC=C(C=C2)C(=O)O)C(F)(F)F 1 4.02 2 2 3.14939295561993 3658492 CC1CC(CN(C1)CC2=CC(=O)OC3=C2C=CC(=C3C)C)C 1 4.461 1 2 -4.40914078034743 3658489 CC1=C(SN=N1)SCCNC(=O)NC2=CC=C(C=C2)Cl 1 2.753 4 1 -10.6041934231797 3658453 CN1C=NN=C1SC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.78 4 1 -11.4988666661411 3658447 CN1CCN(CC1)C(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C 1 0.927 3 2 0 -6.33906873252884 3658432 CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CN3CCN(C(C3)C)C4=CC=C(C=C4)OC 1 3.703 4 6 0 -14.7471907093837 3658423 CC(=O)C1=NN(C(N1C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 1 4.467 3 3 -9.50870267061566 3658422 CC1N(C(C(=[N+]1[O-])C2=CC=CC=C2)(C)C)O 1 1.087 2 2 0 0.146929516924074 3658392 COC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CS4)C5=CC=CC=C5 1 4.707 4 4 0 -2.67314038071687 3658356 CC1C(=O)N(C(=O)C(S1)C)CC(=O)NC2=CC=C(C=C2)OC 1 1.119 2 4 0 -7.68953486614127 3658309 CC(C)CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4)OC 1 4.354 2 7 0 -22.5881120529351 3658297 CC1(CC2=C(C(CC(=O)N2C3=CC=C(C=C3)F)C4=CSC=C4)C(=O)C1)C 1 3.658 1 2 -13.6507701184216 3658245 CC(=NNC(=S)NC1CCCCC1)C2=CC=CC=C2 1 4.07 3 0 -9.69086717281534 3658218 CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NCC4=CC=CO4)C5=CC=CC=C5 1 3.651 4 3 0 -34.2354227114372 3658206 COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)OCC(CNCCC3=CC=C(C=C3)S(=O)(=O)N)O 1 2.915 2 6 0 -8.21474562194664 3658108 CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CSC=C2)S(=O)(=O)N3CCOCC3 1 1.309 2 6 0 -24.7198399695345 3658114 C1CS(=O)(=O)CC1N(CC2=CC=CO2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 2.075 2 6 0 -16.7198315877464 3658092 CN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl 1 5.458 4 1 -3.33079750014358 3658062 CC(=NNC(=O)CNC1=C(C=C(C=C1Br)Br)Br)CCC2=CC=CO2 1 4.024 3 2 -5.54472727214387 3658049 CC1=CC(=CC=C1)NS(=O)(=O)C2=CN=CN2 1 0.815 3 2 0 3.4970327469124 3657919 C1=CC=C2C(=C1)NC(=O)N(N2O)C3=CC(=C(C=C3)Cl)Cl 1 3.325 3 2 -2.3315754381298 3657902 CC1=C(C(=CC=C1)C)OCC(=O)N(CC2=CC=C(C=C2)Cl)C3CCS(=O)(=O)C3 1 3.807 1 4 -14.0007672781053 3657896 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CSC3=NC4=CC=CC=C4S3 1 2.196 3 5 0 -20.578177545391 3657807 CC1=CC(=NN1C(=O)C2=C(N=CC=C2)Cl)C(F)(F)F 1 3.167 3 1 -1.3207242046381 3657792 C1CC(OC1)CNC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.846 3 1 -7.35565483868843 3657747 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=CC=C(C=C2)N 1 2.156 3 3 -6.06684087632934 3657707 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=CC=C3)C 1 2.013 4 5 0 -16.6415181373002 3657686 C1CCC(CC1)N2C=C(C=C(C2=O)C#N)C(=O)C3=CC=CC=C3OCC(=O)NC4=CC=CC=C4Cl 1 4.228 3 4 0 -13.722241878318 3657619 C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4 1 2.827 3 3 -9.8929471504794 3657614 C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4 1 3.6 3 2 -7.97018218653573 3657607 C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4 1 4.049 3 2 -9.83794993906195 3657588 CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4O3 1 5.839 3 4 0 -6.65093830006877 3657560 C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=NN=N4)N5CCOCC5)N6CCOCC6 1 2.605 6 2 0 -8.85209453289366 3657432 C1CCC(=NCC1)NC23CC4CC(C2)CC(C4)C3 1 2.945 2 0 -5.84460616945716 3657422 CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC(C)NC(=O)C4CC4)N 1 2.33 5 3 0 -18.4884217663148 3657419 C1CC2=NN=C(N2C1)COC3=CC=C(C=C3)Br 1 2.424 3 1 -6.03933948721399 3657370 CC1CN(CC(O1)C)CC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.126 3 3 -9.47148503828004 3657361 COC1=NC(=NC(=N1)NN=CC2=CC3=C(C=C2Br)OCO3)N4CCOCC4 1 2.22 6 4 0 -6.67412893569946 3657300 CC1=CC=C(C=C1)OC2=C(C=C(C=C2)C=NOC)[N+](=O)[O-] 1 3.636 2 4 1.70943808970289 3657299 C1=CN(C(=C1)C=O)C2=NC=C(C=N2)Br 1 2.247 3 1 1.3297894046794 3657238 COC1=CC=CC=C1C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4 1 2.753 8 3 0 -25.573154981808 3657167 C1CC(=O)N(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F 1 0 2 7 0 -28.3943044669496 3657134 CCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5 1 4.474 3 3 -5.15193441895381 3657073 CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=COCCO3 1 0.815 4 6 0 -14.1190946501391 3657058 CNC1=NC(=NC(=C1[N+](=O)[O-])N)NCC2=CC=CC=C2 1 1.054 6 2 0 -2.55862279419422 3657045 C1CN(CCC1OC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.405 2 2 -2.78122735603783 3656976 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=CC=C3C(=O)O)C4=C(NN(C4=O)C5=CC=CC=C5)C 1 3.004 4 4 0 -8.50452214982436 3656938 CC1=CC=C(O1)C(=NNC(=O)CCC(=O)NN=C(C)C2=CC=C(O2)C)C 1 1.13 4 4 0 -5.26177793456051 3656901 CCN(CC)C=NC1=C(C2=C(S1)CCCCC2)C#N 1 3.54 3 0 -8.28850857779998 3656887 C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC=NN4 1 1.876 4 1 0 -14.1464761211857 3656855 CCOC(=O)C1=C(N(N=N1)CC(=O)N2C(CC(=N2)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5)C(=O)OCC 1 4.487 5 5 0 -14.8827069060955 3656853 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CC2=CC=C(C=C2)OC 1 3.93 0 4 -5.65904824560657 3656804 C1CN(C(=O)C2=C1C(=CC=C2)OCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CC6=CC=CC=C6 1 5.482 3 3 -9.93686096051565 3656802 C1CN(C(C2=CC=CN21)C3=CC=NC=C3)C(=S)NCCC4=CC=CC=C4 1 4.446 4 0 -14.9918601503965 3656622 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl 1 5.563 2 2 4.26811587586571 3656609 CCC(C)C1=CC=CC=C1NC(=O)CC2=COC3=CC4=C(CCC4)C=C32 1 5.66 1 2 -9.58055649687945 3656605 C1=CC=C2C(=C1)C=C(C(=NNC(=O)C3=CC=CO3)O2)C(=O)N 1 1.351 3 4 0 -7.01252558906688 3656444 C1C=CCC2C1C(=O)N(C2=O)CNC3=CC=CC=C3 1 1.874 2 2 0 -4.84656772785922 3656403 C1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-] 1 4.547 4 4 0 -21.3474120066473 3656302 COC1=CC=CC=C1N=C2C3=C(C=C(C=C3N(N2C4=CC=CC=C4OC)O)[N+](=O)[O-])[N+](=O)[O-] 1 3.681 5 7 0 0.855026561575576 3656277 CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CN3C 1 2.165 2 5 0 -13.4121067296992 3676183 CCC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OC(C)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 5.227 4 4 0 -21.5786607707283 3676179 CN(CC1=CC=CC=C1)C(=NO)C2=CC(=CC=C2)Cl 1 3.559 2 1 3.08597007162136 3676173 CC(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)NC2CC2 1 2.909 2 1 -3.69732370951756 3676154 CC(=O)NC1=NN(C(S1)C2=CC=CO2)C(=O)C 1 0.997 3 3 0 -14.3868305539426 3676076 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4 1 3.721 2 4 -13.6970375152512 3675974 CC(=O)C(=NNC1=CC=C(C=C1)SC(F)F)C(=O)C 1 2.871 2 2 -0.731244579177156 3675930 CC1=C(C(=CC=C1)C)OCC2=NC3=CC=CC=C3C(=O)N2NC(=O)CON=C(C)C 1 2.364 4 4 0 -8.7467145520647 3675863 C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3)C(F)(F)F 1 2.246 4 4 0 -16.7900003569007 3675771 CC(C)CCN(C(C)C1=CC=CC=N1)C(=O)NC2=C(C=C(C=C2)OC)OC 1 3.832 3 3 -8.74694070549386 3675724 C1COCCN1C2=CC=CC=C2NC(=O)CSC3=NC4=CC=CC=C4O3 1 2.925 3 3 -9.56987068865125 3675667 C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.909 4 2 -8.69004165936097 3675603 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NC4=CC=CC=C4C=C3 1 3.31 4 2 -14.5081365864079 3675582 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NNC(=O)C2=CC=CS2 1 1.313 3 6 0 -21.6901130813331 3675550 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCCC3 1 3.574 2 4 -16.5808273612415 3675444 C1CN2CC3CN1CC(C2)(C3=NNC(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5 1 2.431 4 1 -5.01092583647294 3675223 CC(C)NC1=NC(=NC(=N1)NC#N)SCC(=O)OC 1 1.088 6 2 0 -17.1763151146545 3675221 CC1(C(C1C(=O)NC(C(=O)C2=CC=CC=C2)O)C=C(Cl)Cl)C 1 2.782 1 3 -7.78317522572166 3656225 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl 1 3.068 3 3 -5.83705838826534 3656182 COC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3CCS(=O)(=O)C3 1 0.851 4 4 0 -23.1277611183059 3656187 CC(C)(CCC(=O)C1=CC=C(C=C1)OC)[N+](=O)[O-] 1 2.682 1 4 -3.18582287819637 3656150 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 2.249 2 3 -8.46289001882501 3656141 CC1=CC(=O)N=C(N1)NN=CC2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl 1 2.581 6 1 0 -7.31060784256027 3656135 COC(=O)CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CS3 1 1.294 2 5 0 -17.2152002139605 3656108 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCN2C(=CC3=CC=CC=C32)C)C 1 4.493 2 2 -7.81456114280123 3656042 CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(C=C2)C)S1)C)C 1 3.145 2 3 -12.3180708574535 3656081 CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)NC4=CC(=CC=C4)Cl 1 4.038 2 5 0 -8.00948393003524 3656060 CC(=O)C1=CN(C(=O)NC1=O)CCCCCCCCCCN2C=C(C(=O)NC2=O)C(=O)C 1 0.967 4 6 0 -7.80312852670823 3656027 CC(=O)NCCNC(=O)C1CCC(CC1)CNC2=NC(=S)NC3=CC=CC=C32 1 2.34 5 2 0 -18.5400728195891 3655970 CCOC1=C(C=C(C=C1)CCNC(=O)C2CC=CCC2C(=O)OC(C)C)OCC 1 3.761 1 5 -15.5276455082341 3655913 CC(C)C(=O)N(C1=CC2=C(C=C1)OC(=O)S2)S(=O)(=O)C3=CC=C(C=C3)OC 1 4.136 1 6 0 -5.22145269882178 3655904 CC(C)C(=O)N(C1=CC2=C(C=C1)OC(=O)S2)S(=O)(=O)C3=CC=CC=C3 1 4.152 1 5 -5.7044961289138 3655849 CCCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C)C3=CC=CC(=C3)C 1 3.955 3 1 -6.35204545629591 3655847 CC1=CC(=CC=C1)N2C(=NC3=C2C=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C 1 4.434 3 3 -6.52569745606528 3655844 CC1=CC(=CC=C1)N2C(=NC3=C2C=CC(=C3)C(=O)NCCCOC)C 1 3.014 3 2 -8.40696523433086 3655838 CC1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)F 1 3.205 1 2 -4.88347646895438 3655776 CCN1C(=O)CC(C1=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 -0.459 3 4 0 -9.01246771908461 3655704 CC1=CC(=C2CCCC(=NNC(=S)NC3=CC=C(C=C3)F)C2=C1)C 1 6.025 3 0 -8.85602292213246 3675115 CC1=CC=C(C=C1)C2=NNC(=O)C(C2)C3=CC=C(C=C3)Cl 1 3.694 2 1 -3.58874535812234 3675043 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4 1 4.341 4 3 0 -16.9972078491375 3675040 CC1=CC(=C(C=C1)NC(=S)N(CC2=CC=CO2)C3CCN(CC3)C(C)C)C 1 5.622 3 1 -11.5869158114712 3674970 C1=CC=C(C=C1)CN2C=[N+](C=N2)[N-][N+](=O)[O-] 1 4.145 5 2 0 -3.81861832376787 3674935 CCOC1=C(C=C(C=C1)CCNC(=O)C(CCC(=O)N)NC(=O)OCC2=CC=CC=C2)OCC 1 2.788 3 6 0 -21.6111461198825 3674934 CC(C1CC2CCC1C2)NC(=O)C3=CC=C(C=C3)C#N 1 3.159 2 1 -9.91928452918911 3674868 CCC(C)N1C(=O)C2=C(C=CS2)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-] 1 4.917 3 3 -21.3053881434591 3674845 CC1CC(CN(C1)CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=C(C=C3)C)C 1 3.87 2 4 -14.599944030041 3674841 C1=CC(=CC(=C1)O)NC(=O)C2=NOC(=C2)C3=CC=CO3 1 2.46 2 4 -1.2681295609963 3674831 C1=CC(=CC(=C1)Cl)C2=CC(=NO2)C(=O)NC3=C(N=CC=C3)Cl 1 3.694 3 2 -0.234863750943564 3674726 CC(C)CN1C2=CC=CC=C2N=C1C(C)NC(=O)CC3=CC=CC=C3 1 4.247 3 1 -13.2582805972617 3674707 C1CN(CCN1CC(=O)C2=CC(=C(C=C2)O)O)S(=O)(=O)C3=CC=C(C=C3)F 1 1.881 2 5 0 -10.4084107553631 3674703 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)F 1 1.978 3 4 0 -16.8642224058923 3674701 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3F 1 1.978 3 4 0 -18.8309505783713 3674699 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=CS3 1 1.8 2 4 0 -23.5112165865744 3674642 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)N 1 2.177 3 3 -2.41795137842213 3674537 COC(=O)C(C(F)(F)F)(NC(=O)C1=CC=C(C=C1)F)NNC2=CC=CC=C2 1 3.479 3 3 -7.19573187620418 3655599 CC1=C(C=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)O)C 1 4.794 0 3 8.17128080953664 3655573 C1CCC(C1)N2C=NC3=C2C=CC(=C3)C(=O)NCCN4CCOCC4 1 1.988 4 2 0 -14.1360506573177 3655539 C1OC2=C(O1)C=C(C=C2)C=NNC3=CC=CC=C3Cl 1 3.881 2 2 -0.143684859795264 3655532 CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCNC(=O)C3=CN=CC=C3)C)C 1 1.821 4 7 0 -31.9296590570571 3674522 CC1=CC=C(C=C1)S(=O)(=O)NCCCN2CCCC2 1 1.889 2 2 0 -4.5045061009102 3674521 C1CC(OC1)CNC(=O)C2=CC=CN2 1 0.781 2 2 0 -9.33450762349776 3674519 C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=C(C=N2)C3=CC=C(C=C3)Cl)N 1 3.511 4 2 1.30506557781612 3674517 C1=CC(=CC=C1N)NC2=C(C=NC=C2)[N+](=O)[O-] 1 1.377 4 2 0 0.352660315010204 3674456 CC1=CC=C(C=C1)CNC(=O)C2CC(=O)N(C2)C3CCCCCC3 1 3.117 2 2 -15.8184315210274 3674389 CC1=CC=C(C=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CS3 1 3.437 1 4 -12.535043866279 3674388 CC1=CC=C(C=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCCCC3 1 4.428 1 4 -9.02821381710691 3674384 CC1=CC=C(C=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC(=CC=C3)OC 1 3.681 1 5 -10.243691928348 3674290 CC(=NNC(=O)CNC(=O)C1=CC=CC=C1OC)CC2=CC=CC=C2 1 1.732 3 3 0 -16.3497476655961 3674289 COC1=C(C=C(C=C1)C=NNC2=NC(=O)C(=NN2)CC3=CC=CC=C3)OC 1 2.658 5 3 0 -17.201847435342 3655464 CC1=CC(=CC=C1)N2C(=NC3=C2C=CC(=C3)C(=O)NCC(OC)OC)C 1 3.021 3 3 -8.81979980914821 3655447 CC1CN(CC(O1)C)C2=NN=C(S2)NC(=O)C3=CC=CC=C3 1 1.615 4 2 0 -13.413677663766 3655440 CC1=CC(=C(C#N)C#N)C=C(N1CCN2CCNCC2)C 1 0.742 5 0 0 -9.43434186782005 3655371 C1C2CC3CC1CC(C2)(C3)NC(=O)CON=C4C5=CC=CC=C5C6=CC=CC=C64 1 4.231 2 2 -5.41472151922292 3655376 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CCC5=CC(=C(C=C5)OC)OC 1 3.697 4 5 0 -24.4856774788859 3655309 CC1=C(SC2=NC(=NC(=C12)NCC(C3=CC=CC=C3)N(C)C)C)C 1 3.798 4 0 -2.91928027050874 3655302 COC1=CC=C(C=C1)CCNC(=O)COC(=O)CC2=CC(=C(C(=C2)OC)OC)OC 1 2.619 1 7 0 -16.0696978877493 3655300 C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.225 2 5 0 -22.9847330940212 3655289 C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4CCCC4 1 4.331 3 2 -13.3525001333426 3655267 C1=CC(=C(C=C1Cl)Cl)C2=CC=NC3=C(C=NN23)C#N 1 3.257 4 0 -1.36863546625336 3655264 C1CSC(=O)C1NC(=O)C2=CN=C(C=C2)OC3=CC=CC(=C3)C(F)(F)F 1 3.21 2 3 -9.34535615013395 3655149 CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC5=C(C=C4)OC(O5)(F)F 1 4.271 5 5 0 -14.5815375148997 3655007 CC1CCN(CC1)C(=O)C2CCC(C2(C)C)(C)C(=O)O 1 2.478 1 3 -8.81530209453088 3654990 CCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2C4=CC=CC=N4)OC5=CC=CC=C5C3=O)OC 1 3.639 2 5 0 -12.8761804525362 3654975 CS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)C4=CC=CO4 1 2.01 3 5 0 -10.9096507046439 3654973 CN(C)C=NC(=O)C1=CC(=CN1)C(=O)C2=CC=C(C=C2)F 1 2.204 3 2 -2.39017836415309 3654972 CC1=CC=C(C=C1)CN2C=CC(=O)C(=C2C)CC3=C(C=CC=C3Cl)Cl 1 5.732 1 1 -3.67276184138223 3654891 CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC3=C(C=C2)OCCO3 1 3.581 3 2 -11.9421359070287 3654876 C1C(=O)N2C(=C(C(C(=C2S1)C(=O)N)C3=CC=CC=C3)C#N)N 1 0.499 4 2 0 -14.7275668148703 3654846 COC1=CC=C(C=C1)NC(=S)N(CCCN2CCCCC2)CC3=CC=CS3 1 5.473 3 1 -6.33290262354522 3654817 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=N6 1 3.909 5 4 0 -20.2141780103658 3654762 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 0.256 3 7 0 -20.3194679275013 3654733 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC=C)CC3=CC=CC=C3 1 2.625 4 3 0 -18.5767281098045 3654689 COC1=CC=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.219 2 3 -10.7399265080448 3654687 C1CN(CCN1CC(=O)N)S(=O)(=O)C2=CC=C(C=C2)Br 1 0.506 3 3 0 -17.224761853323 3654626 CC1=CC2=C(C=C1)OC(CC2=O)C3=CC4=C(C=C3)OCCO4 1 3.371 0 4 -3.16981334696724 3654599 CC1=CC=C(C=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)O 1 4.946 1 2 -6.22835415457697 3654569 C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)F)SCC(=O)NCC4=CC=C(C=C4)F 1 5.508 2 1 -12.8167914432207 3654492 CC1CCCCC1NC(=O)COC(=O)CC2=CC=C(C=C2)Cl 1 3.621 1 3 -12.6137504689787 3654267 CC(=CC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)C 1 2.081 2 6 0 -11.2296305514849 3654190 CC(=O)C1=NN(C(N1C2=CC=C(C=C2)NC(=O)C)C3=CC=CS3)C4=CC=CC=C4 1 3.778 4 2 -12.9531759243825 3654177 C1C(CC(=O)C2=CN=C(N=C21)NC(=O)C3=CC=CO3)C4=CC(=CC=C4)Cl 1 3.229 3 3 -14.2964380519 3654175 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)NC(=O)C4=C(C=C(C=C4)F)Cl 1 5.716 3 3 -2.10826936335862 3654106 COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2 1 1.416 3 4 0 -31.0852584156739 3654083 COC1=CC(=C(C=C1)OC)NC2=NC(=C(C(=N2)NC3CCCCC3)[N+](=O)[O-])N 1 2.873 6 4 0 -5.0089825793544 3653890 C1=CC=C2C(=C1)NC(=N2)NN=CC3=CC=CC4=C3N=CC=C4 1 3.055 5 0 4.89103611914549 3653884 CC1=CC=CC(=C1)C=NNC2=NC(=NC(=C2)N3CCOCC3)N4CCOCC4 1 2.198 6 2 0 2.2287360655259 3653880 CC(=NNC1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3)C4=CC(=CC=C4)[N+](=O)[O-] 1 0.825 8 4 0 -7.2003620065807 3653878 COC1C2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)OC 1 2.633 1 3 -3.61413438795948 3653863 CCC(=O)N1CCC(=N1)C2=CC=C(C=C2)OC 1 1.79 2 2 0 -3.77012625329484 3653638 CC(C)OC(=O)NC1=CC=C(C=C1)N=C(N)N[N+](=O)[O-] 1 3.492 5 4 0 -4.95473656771636 3653627 C1CSC2=NC=C(C(=O)N21)C(=O)NCCC3=CNC4=CC=CC=C43 1 1.845 4 2 0 -17.7001838543163 3653409 CCCCSCCCNC(=S)NC1=CC=CC=C1C 1 5.003 2 0 -14.0218448837976 3653329 CC(C)N1C2=C(N=C1SCC3=CC=CC=C3F)N(C(=O)N(C2=O)C)C 1 3.498 4 2 -17.2616631440928 3653315 CCCNC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C 1 2.076 5 3 0 -10.2402125221008 3653310 CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32 1 2.98 2 3 -16.1121262953437 3653165 CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)CSC3=NN=C(S3)C 1 3.37 5 1 -21.7978087067119 3653164 COC1=C(C=C(C=C1)CCN2C(=O)C3=C4C(=C(C=C3)C(=O)N5CCCCC5)C=CC=C4C2=O)OC 1 3.973 2 5 0 -7.85260205299518 3653100 CC(CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=C(C=C3)Cl)Cl)O 1 2.528 5 3 0 -5.20806572980234 3653099 CC1=C(C(=C(C(=N1)NCCC2=CC=CC=C2)C#N)COC)[N+](=O)[O-] 1 2.319 4 3 0 -4.41310956234335 3653016 CS(=O)(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=CS3 1 1.573 3 3 0 -11.6738349680043 3653012 C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3O2 1 1.857 2 3 0 -15.3247286313741 3652944 CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)CN(C)C)NC(=O)CN3CCCCC3 1 3.534 3 3 -8.48601812107719 3652913 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4 1 2.521 6 2 0 -15.7719150008019 3652908 CCS(=O)(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)F 1 1.855 5 2 0 -6.63523529991221 3652897 CC1CCC2=C(N1S(=O)(=O)C3=CN=C(C=C3)Cl)C=CC(=C2)F 1 3.36 2 2 -8.57199676681238 3652863 CC(CS(=O)(=O)CC1=CC(=CC=C1)C(F)(F)F)(C(=O)NC2=CC=CC(=C2)C(F)(F)F)O 1 3.791 1 4 -3.42616919765229 3652861 COC(=O)CC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.275 1 3 2.60005158573864 3652858 C1COCCN1C(C#N)(C2=CC(=CC=C2)C(F)(F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.83 3 1 1.11468752919398 3652856 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl)C 1 5.43 3 2 -6.00866768188799 3652853 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3 1 2.831 2 6 0 -31.0236534655489 3652844 C1=CC(=CC=C1C=NNC2NC(=O)C(S2)CC(=O)O)Br 1 2.237 3 3 -10.3892444233281 3652836 C1=CC=C(C(=C1)C(=O)ON=C(C2=NON=C2N)N)Cl 1 1.076 5 3 0 -4.55068137421366 3652754 CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)O 1 4.592 1 6 0 -15.8865452662479 3652603 COCCCNC(=O)C1=CC(=CN1)C(=O)CC2=CC=CC=C2 1 1.793 2 3 0 -9.40774299594998 3652602 C1CN(CCN1CCNC2=CNC(=O)NC2=O)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 0.986 6 2 0 -5.37438970467758 3652497 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3CC3 1 1.703 2 3 0 -12.5901503048725 3652406 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O 1 4.487 1 6 0 -12.9351859173381 3652381 COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=CC=C3F)C4=CC=CC=C4)OC 1 4.687 1 3 -16.3730100615628 3652335 CC1=CC=C(O1)CN2CCS(=O)(=O)CC2 1 0.647 1 3 0 -1.96423846073561 3652333 CC1=CC=CC=C1S(=O)(=O)C2=C(N=C(C=C2C)C)OCCO 1 3.02 1 4 -6.3324305758458 3652330 C1=CC(=C(C=C1Cl)Cl)CONC(=O)N 1 1.922 2 2 0 2.64415119766832 3652315 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3C 1 2.871 2 3 -15.2573064869282 3652282 CCOC(=O)CSCC(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.78 4 5 0 -18.1326701956983 3652194 C1=CSC(=C1)C2=NC3=C(C=C(C=C3C=C2)Br)Br 1 5.413 1 0 4.19275101084238 3652185 CC1=CC=C(C=C1)N2C(=NN(C2=O)C3=C(C=C(C=N3)C(F)(F)F)Cl)C 1 4.256 4 1 -0.23882444866264 3652095 CCOC1=C(C=CC=N1)C(=O)OC(C)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC 1 4.327 2 6 0 -13.4982918369509 3652082 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F 1 4.114 1 3 -11.9385753040314 3652004 C1=CC2=C(C=C1F)NC(=N2)CN3C=NC=N3 1 1.293 5 0 0 -3.85790009093662 3651985 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)C3=CC=C(C=C3)C#N 1 1.347 4 4 0 -26.2205997542255 3651967 CC(C)CC(=O)NC1(C(=O)N(C(=O)N1)CCC2=CC(=C(C=C2)OC)OC)C(F)(F)F 1 2.883 3 5 0 -12.1238463484969 3651965 CC1CN(CC(O1)C)C(C2=CC(=CC=C2)OC)C3=C(N4C(=NC=N4)S3)O 1 2.95 4 3 0 -7.65469389517973 3651866 CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O 1 3.402 2 3 -11.8940347905131 3651858 CC(CCC1=CC=CC=C1)NC(=S)NC2CCCCC2 1 5.254 2 0 -9.09057366595623 3651780 CC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4CCCC4 1 2.959 3 3 -1.53065614650938 3651768 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl)N 1 1.058 4 5 0 -19.365655471952 3651710 C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC(=O)N4C=CC=CC4=N3)NCC5=CC=C(C=C5)Cl 1 4.319 5 1 -10.6612338538207 3651709 C=CCN(C1=CC=CC=C1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=N4)SC=C3 1 4.297 4 2 -30.6939864849294 3651703 C1OC2=C(O1)C=C(C=C2)NC(=O)CCCN3C(=O)C4=C(C=CS4)NC3=S 1 3.069 3 4 0 -14.164100586476 3651651 CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NN(C(=C3[N+](=O)[O-])C)C 1 5.522 6 2 0 2.224047538036 3651578 CC1CC(CN(C1)C(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O)C 1 2.385 3 2 -19.882661304738 3651522 CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NC4=CC=CC=C4OC 1 3.864 3 4 0 -13.0304794433124 3651477 CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 4.523 2 5 0 -26.3545492765782 3651410 C1=CC=NC(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.043 4 4 0 -9.54964939129319 3651408 C1=CN=CC=C1C(=O)NNC(=O)C2=CC(=CN=C2)Br 1 0.318 4 2 0 -4.94342600957385 3651390 CC1=CC=C(C=C1)C(=O)COC(=O)C2C3CCC(C3)C2C(=O)OC 1 2.975 0 5 -8.36791749091525 3651214 CC(C(=O)OC)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)Cl 1 2.439 4 3 0 -6.29240028396117 3651160 CCOC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)NC(=C3)C)N)C#N)OC 1 1.202 3 4 0 -22.7237254124737 3651146 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)CNC(=O)CCC(=O)O 1 2.479 2 3 -9.30659817432889 3651137 CC1=CC(=C(C(=O)N1CC(=O)OC)C#N)COC 1 -0.294 2 4 0 -9.98624020107657 3651135 CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C=CS3)NC2=S 1 2.139 4 4 0 -12.6846189587293 3651120 C1=CC(=C(C(=C1)Cl)CC(=O)NNC(=O)C2=CC=NC=C2)F 1 1.625 3 2 0 -10.721444487961 3651102 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC4=CC=C(C=C4)C#N 1 1.253 5 5 0 -19.4534912809782 3651068 CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCN(CC4)C 1 4.006 4 2 -15.6489590071885 3651062 CC1=C(C(=O)N=C(N1)SCCOC2=CC=CC=C2F)CC3=CC=CC=C3 1 4.74 2 2 -12.340222486046 3651059 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 2.738 4 4 0 -9.06127021102763 3651003 CCC1C(=O)N(C2=CC=CC=C2S1)CC(=O)NCC3=CC=CC=C3OC 1 3.018 2 3 -13.0882554053182 3650920 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N3C(=O)C4C5CCC(C5)C4C3=O 1 3.752 1 5 -11.2470398573401 3650912 CC1=C(C(=NO1)C)C(=O)NCCC2=CC=CC=C2 1 1.825 2 2 0 -11.8102088314677 3650869 C1=CC(=CC=C1C(=O)O)NN=CC2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl 1 5.612 2 3 5.70536762406569 3650860 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CN(C=N2)C 1 1.443 3 2 0 -2.25110366747699 3650845 CC1=CC(=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)NCC(OC)OC)C 1 3.246 3 3 -10.702123842403 3650841 CCOCCCNC(=O)C1=CC2=C(C=C1)N(C=N2)C3=C(C=C(C=C3)C)C 1 3.588 3 2 -11.7972012063154 3650776 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CC3=CC=C(C=C3)OC 1 3.457 2 6 0 -13.5283547628107 3650613 C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)NC2=S 1 3.956 3 3 -19.7692506709951 3650608 CCN1CCC(=NNC(=O)CC23CC4CC(C2)CC(C4)C3)CC1 1 2.453 3 1 -8.95377785442716 3650580 CC1=NC=C(N=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 0.141 4 3 0 -17.0882348813241 3650575 CC(C(=O)N1CCCC1)OC(=O)C2=CC3=C(C=C2)N=CS3 1 1.98 2 3 0 -14.5361452491576 3650523 C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCCC3 1 2.592 2 4 -16.4758436694611 3650521 CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2CCCCC2 1 3.932 1 3 -6.15401043147152 3650426 C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OCC(=O)NCC4CCC(CC4)C(=O)O 1 3.958 1 6 0 -23.7745921803422 3650338 CCC1C2=CC=CC=C2N=C(O1)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.071 2 3 -6.58796053063572 3650251 CCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NCCC(=O)O 1 1.762 1 4 0 -13.649817146108 3650132 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3 1 3.179 2 6 0 -31.3330402979557 3650130 CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)C(C)NC(=O)C2=CC=CC=C2 1 2.865 3 4 0 -13.0914448660356 3650100 CC(=O)NC(CC(=O)NC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4 1 2.436 2 2 -12.4410187907382 3650092 CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NC3CCCCC3)C4=CC=C(C=C4)Br)N 1 3.824 6 1 0 -14.9310145166584 3650003 C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)S(=O)(=O)NC4=CC=CC=C4Cl 1 4.962 4 3 0 -2.25534555406154 3650002 C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)NC4=CC=CC=C4Cl 1 5.627 4 3 0 -2.66131292287862 3649935 COC(=O)NCN1C(=O)C2C3CC(C2C1=O)C=C3 1 -7.2e-002 2 4 0 -6.46204063294458 3649933 CC1=CC=C(C=C1)OC2=C(C(=NC(=C2F)F)N3CCCC3)F 1 4.265 2 1 6.00766886592043 3649891 CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CN(C4=CC=CC=C43)C 1 3.999 3 1 -5.69435592134465 3649889 C1=CC=C(C=C1)C(=O)NN(CC(COC2=CC=CC=C2)O)CC(COC3=CC=CC=C3)O 1 2.995 2 5 0 -8.54015740095167 3649834 CC1=C(C(=O)N=C(N1)SC)CCO 1 0.644 2 2 0 -7.83690993920453 3649857 C=CCNC(=S)NNC(=O)C1=CC(=CC=C1)Br 1 2.785 3 1 -11.6005152447403 3649732 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 1 2.12 4 4 0 -23.3726706904948 3649725 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.434 4 5 0 -25.3308534119445 3649624 CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)OC 1 3.159 2 4 -19.0076058832859 3649586 C1CCNC(=C2C(=O)C(OC2=O)CC3=CC=CC=N3)NC1 1 0.721 3 3 0 -10.2913731965382 3649585 C1CN2C(CC(=O)C(=C2N1)C(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 3.037 3 2 -7.76244637090006 3649582 C1CNC(=C2C(=O)C(OC2=O)CC3=CC=NC=C3)NC1 1 -1.e-003 3 3 0 -7.68086310362502 3649581 C1CNC(=C2C(=O)C(OC2=O)CC3=CC=CC=N3)NC1 1 0.141 3 3 0 -9.74215671733255 3649561 CCCN1C(=C(C(=O)N(C1=O)C)C2=NC(=C(S2)C(=O)C3=CC=C(C=C3)C(C)CC)C4CC4)N 1 4.78 4 3 0 -9.54942764171347 3649536 COC1=CC(=C(C=C1)OC)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O 1 6.078 2 3 -12.1830175433202 3649488 C1=CC=C2C(=C1)C=C(C(=NNC(=O)C3=CC=CC=C3O)O2)C(=O)N 1 1.714 3 4 0 -3.18386812864389 3649415 CC1=CC2=C(C=C1)C(=C(O2)C(=O)N(CC3=CC=C(C=C3)N(C)C)C4CCS(=O)(=O)C4)C 1 4.064 2 4 -7.52339249475692 3649400 CC1=CC=C(C=C1)NC2C(=O)NC3=CC=CC=C3S2 1 3.54 2 1 -7.78759977795118 3649375 C1=COC(=C1)C2=CC(=NN2)C(=O)NN 1 0.417 4 2 0 0.775309984062619 3649353 CC1C2=CC(=C(C=C2CCN1CC3=C(C=CC(=C3)C=NNC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC)OC)OC 1 4.694 3 7 0 -22.8478634481908 3649331 C1CSC(=C2C(=O)C(OC2=O)CC3=CC=CC=N3)S1 1 2.1 1 3 -4.04275243206483 3649326 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CN(CC4)C)C(=O)N 1 1.189 4 5 0 -25.30820831933 3649318 CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 1.207 4 4 0 -23.0182021763267 3649254 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3C4CC(C3C(=O)O)C=C4 1 3.118 1 5 -15.9255068192071 3649208 CC1=CC=C(C=C1)N(CC(CN2C(=O)C(NC2=O)(C)C)O)S(=O)(=O)C3=CC=C(C=C3)C 1 2.645 3 5 0 -14.0674750743896 3649131 C1CCC(C1)NC(=O)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 1.142 4 5 0 -17.0409370702571 3649053 CC(=O)NCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCOCC3 1 -1.088 4 6 0 -26.3700193372229 3649024 CC(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3 1 2.408 0 5 -6.23291566306352 3648937 CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3F 1 3.598 4 2 -13.4181697857097 3648918 CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=C2O)NC(=O)C3=CC=C(C=C3)OC 1 3.002 3 4 0 -13.3490667116515 3648878 CC(C)CNC1=NC(=C(C(=N1)NC2CCCCC2)[N+](=O)[O-])N 1 2.521 6 2 0 -6.22992113082189 3648794 C1=CC=C(C=C1)CNC(=O)C2=C3NC(=O)C4=CC=CC=C4N3C(=S)S2 1 3.755 3 2 -13.5526174294734 3648768 CCC(C)C1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC(=CC=C2)OC 1 3.226 3 3 -4.82257359358283 3648743 CC1=CC2=C(N=C(N=C2O1)NN=CC3=CC=C(C=C3)F)C 1 2.69 4 1 -2.67931979823073 3648732 CCC1CCCCN1C(=O)COC(=O)C2=NNC3=CC=CC=C32 1 2.841 3 3 -19.2856055628252 3648665 CCCCCC1CC(C(=O)O1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.236 2 5 0 -8.00093469405708 3648655 CC1CN(CC(O1)C)C(=O)CSC2=NC(=C(C(=N2)C)C)C 1 1.873 3 2 0 -13.5791915698182 3648576 CC(C)CNC(=O)NC(=O)COC(=O)C1CSC2(N1C(=O)CC2)C3=CC=C(C=C3)F 1 1.85 3 5 0 -10.9207747588442 3648622 C1=CC(=C(C=C1S(=O)(=O)N)NC(=O)C2=CC=C(O2)[N+](=O)[O-])O 1 0.492 3 7 0 -5.39732211410131 3648616 CN1CCC(=NNC(=O)C(=O)NCC=C)CC1 1 -0.516 4 2 0 -13.0803708889223 3648614 C1=CC(=CC=C1CN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S)C(=O)O 1 4.019 2 3 -2.322924767861 3648605 CC(N1CCOC1=O)S(=O)(=O)C2=CC=CC=C2 1 1.376 1 4 0 -8.03801273556619 3648503 CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC4=C(C=C3)OCO4 1 2.2 2 5 0 -8.85714639510805 3648468 C1=CC(=CC=C1NCC(=O)C2=CC=C(S2)Br)Br 1 4.164 1 1 -4.41792708226589 3648392 CCCCC1=C(N(C(=CC1=O)C2=CC=NC=C2)C3=CC=CC=C3)O 1 4.409 2 2 -1.06345652387863 3648311 CC1=C(C(=CC=C1)C)OCC(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 1 2.882 1 4 -18.6441064806785 3648300 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=CC=C3F 1 1.805 2 4 0 -16.2311683645668 3648156 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)N 1 1.133 3 5 0 -12.2906375196586 3647975 C1=CC=C(C=C1)CC(=O)NC(C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)O 1 1.657 2 6 0 -14.7337688172444 3647978 CCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 1.773 2 4 0 -9.86242425470352 3647987 CC1=C(C(=O)N=C(N1)N2C(=O)C3=C(N2)CCCC3)CC4=CC=CC=C4 1 2.598 4 2 -15.0633554317219 3647960 CC1=CC(=C(C=C1NC(=O)COC(=O)C=C(C)C)OC)[N+](=O)[O-] 1 2.568 2 6 0 -10.8954188922245 3647908 C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 2.045 2 3 -14.4563900577786 3647829 CC1=CC=CC=C1C2=NN3C(=NN=C3SC2)C4=CC=CO4 1 3.601 4 1 -0.230176066300091 3647806 C1CCN(CC1)CCCNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.366 4 5 0 -29.8039400660516 3647798 CC1=CC=CC=C1NC(=O)C2C3CCC(C2C(=O)O)O3 1 1.31 1 4 0 -5.18172601524387 3647795 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NN=CC3=CC=C(C=C3)F 1 3.5 5 0 2.35188640898042 3647710 C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NC4=CC=CC=C4 1 3.069 2 3 -7.0141463303007 3647693 CC1=C(C=C(C=C1)NC2=NC(=NN2)N=CNO)C 1 1 6 1 0 3.89779119645129 3647657 C1CCN2C(C1)C(=O)N(C2=O)CCCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 1.663 5 5 0 -10.2611289111161 3647656 CC1CCCC(C1C)NC(=O)COC(=O)C2=CC=C(C=C2)N(C)C 1 3.336 2 3 -14.7704845057286 3647645 CC1CC2=CC=CC=C2N1C(=S)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 5.9 2 1 -7.3319975644073 3647531 CC(C(=O)C1=CC=C(C=C1)OC)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC(=C(C=C3OC)OC)Cl 1 4.528 1 8 0 -13.6466767519917 3647454 CN1C(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)Cl)C(=O)N(C1=O)C 1 3.145 2 4 2.08915136864095 3647419 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3CCCO3)C(=O)C4=CC5=C(C=C4)OCO5 1 4.216 2 5 0 -23.5165517635746 3647398 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)O 1 3.159 2 4 -5.80998060572688 3647346 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C)C 1 1.903 2 3 0 -24.2712128056166 3647293 CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)COC)C2=CC=CC=C2 1 2.573 3 4 0 -11.8462424931725 3647274 CCN(CC1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N=C2C(C)O 1 2.822 3 2 -14.0858890022536 3647260 C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)SC5=C2SC(=O)N5 1 3.947 2 3 -2.15324463790826 3647177 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC3=C(C=C2)OCO3 1 0.463 3 6 0 -14.520401449118 3647132 CC1(C2CC=C(C1C2)C=NNC(=O)C3=CC=CC=C3Br)C 1 3.88 2 1 1.2391119553809 3647099 CC1=CC(=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)NCCCOC)C 1 3.24 3 2 -10.2892892675857 3647024 COC1=CC=C(C=C1)N2C(=S)C3=CC=CC=C3NC2=S 1 5.221 2 1 -1.79377549817524 3647020 CN(CC(CC(=O)NC1=NN=CS1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.726 4 3 0 -14.6712848905801 3646998 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.305 3 6 0 -20.4783002543806 3646929 C1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42 1 4.35 4 1 -8.00966462286514 3646915 CC(C)COC1=CC=C(C=C1)C=NNC(=O)C(C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 3.295 3 5 0 -10.9524114619465 3646889 CC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C3=CC=C(C=C3)NS(=O)(=O)C)C4=CC=CS4 1 3.66 3 3 -13.1522507401332 3646879 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NC=NC4=C3C=NN4 1 3.237 5 3 0 -22.8327404834642 3646812 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.641 3 5 0 -11.2758617499335 3646781 CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC(=O)OC)CCC4=CC=CC=C4 1 1.925 5 4 0 -13.8168013778759 3646727 COC1=CC=C(C=C1)N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)C3=CC=CC=C3F 1 4.1 2 4 -20.9053519397807 3646721 CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC3=NC=C(C=C3)[N+](=O)[O-] 1 3.261 5 2 0 -1.99134213430159 3646665 C1CCN(C1)C2=C(C=C(C=C2)C(=O)OC3CCOC3=O)[N+](=O)[O-] 1 1.926 2 6 0 -9.7697596488786 3646578 C1CN(C(=N1)SCC2=CC(=CC=C2)F)C(=O)C3=CC=CO3 1 3.492 2 2 -8.96145828561501 3646529 C1C(=NC2=CC=CC=C2NC1=O)C(C(C(F)(F)F)(F)F)(F)F 1 2.939 2 1 -7.83069777944446 3646506 CC1=CC2=C(C=C1)NC=C2C(=O)CN3CCN(CC3)C 1 2.312 3 1 3.16972832152803 3646489 CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N(C)CC2=CC(=C(C=C2)OC(F)F)OC 1 4.372 3 5 0 -6.35433244915375 3646486 C1C2CC3CC1CC(C2)(C3)CNC(=O)CCNC(=O)C4=CC=CC=C4Cl 1 3.485 2 2 -15.0376904290456 3646484 CC(C(=O)NC(=O)N)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC 1 0.248 3 8 0 -22.6226462285069 3646370 CCCN1C(=C(C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2)N3CCCCC3)N 1 1.377 5 3 0 -10.0781310410732 3646367 CCCN1C(=C(C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2C)N3CCCCC3)N 1 1.863 5 3 0 -12.4861696786921 3646322 CC(C1CC2CCC1C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC(=C(C=C4OC)OC)Cl 1 4.605 2 5 0 -19.4417736790749 3646198 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(NC2=O)C)C)C 1 2.375 1 3 -10.2184623434043 3646178 CC1=CC=C(C=C1)C=NNC(=O)CN2C=NC3=CC=CC=C32 1 2.742 4 1 -9.97189866869293 3646165 CC1(CCS(=O)(=O)C1)NC(=O)NCC2=CC=CO2 1 -0.153 2 4 0 -13.4629448380901 3646157 CC1=C(OC2=CC=CC=C12)C(=O)N(CC3=CC=CC=C3)C4CCS(=O)(=O)C4 1 3.416 1 4 -4.70701971547717 3646150 CCOC(=O)C(=O)NNC1=CC=C(C=C1)Cl 1 1.987 2 3 0 -0.416848419506455 3646120 C1CN(CCN1)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-] 1 2.659 4 3 0 -12.5805465127611 3646056 CCOC1=C(C(=CC(=C1)C=NNC2=CC=C(C=C2)C(=O)O)Br)OCC=C 1 4.759 2 4 -8.60225719808914 3645976 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCC2 1 0.532 2 4 0 -13.6783392136606 3646030 C1C(=NN2C(=NN=C2S1)C3=CC=NC=C3)C4=CC=CS4 1 2.522 5 0 -2.93537289231637 3646028 C1=CC=C(C=C1)C2=NC3=C(C(=N2)NCC(=O)O)OC4=CC=CC=C43 1 2.96 3 3 6.46486679114992 3646027 CCC1(C2C1(C(=O)OC3=CC=CC=C23)C(=O)O)C(=O)C4=CC=C(C=C4)C 1 3.688 0 5 -5.95907835229531 3645950 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl 1 4.352 4 4 0 -11.2786853329453 3645914 CCCCC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)C 1 2.868 3 3 -9.02673628407446 3645873 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC3=CC(=CC=C3)Cl 1 0.908 5 5 0 -19.0358962288695 3645802 C1CN(CCC1C(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)CC3=CC=CC=C3 1 3.477 2 2 -6.42162468092465 3645788 C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC=NC=C3)N4CCOCC4 1 -0.201 8 2 0 -3.70198606173223 3645747 CC1CCCC(N1C(=O)COC(=O)CC2=CC=C(C=C2)Cl)C 1 3.322 1 3 -9.19430855402123 3645743 CC1=CC(=NC2=NC(=CN12)CSCC(=O)O)C 1 0.996 3 2 0 -9.74806567486823 3645729 C1CS(=O)(=O)CCN1CCC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)F 1 3.929 2 2 -2.3490187966924 3645626 C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3CCS(=O)(=O)C3 1 2.372 1 5 -13.0792472399902 3645579 CC1=CC=C(C=C1)C2N3CCCN3C(=O)N2C4=CC=C(C=C4)Cl 1 3.705 3 1 -3.02670110427724 3645442 COC1=C(C=C(C=C1)CCNC(=O)CON=CC2=CC3=C(C=C2Br)OCO3)OC 1 3.143 2 6 0 -11.4168980053768 3645440 COC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)OC 1 3.125 1 7 0 -17.8263927664652 3645398 COC(=O)CC1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)Cl 1 3.271 1 4 -7.87598816656351 3645365 CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC4=C(C=C3)C5=CC=CC=C5O4 1 3.668 5 3 0 -14.9137481918045 3645341 CCOC1=CC(=CC(=C1)C(=O)NCCCN2CCOCC2)OCC 1 1.591 2 4 0 -11.8889315071152 3645330 CCC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3CCCCC3C 1 3.071 2 3 -12.8077732405879 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C1CCC(CC1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 2.167 2 2 -10.1429317130927 3644807 CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)N3CCC(CC3)C 1 3.953 3 2 -29.118358098891 3644772 CCCCN=C1C(=CC=C2C1=NC3(N2O)CCCCC3)[N+](=O)[O-] 1 2.764 4 3 0 -3.89336155397678 3644702 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4 1 1.614 5 3 0 -24.3905178541218 3644691 CCOC(=O)C(C(=O)C)SC1=NN(C(=S)S1)C 1 2.831 2 3 -9.59154401618059 3644687 C1C2C1C3C=CC2C4C3C(=O)NNC4=O 1 -0.579 2 2 0 -6.55156494996896 3644675 CC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OC 1 2.397 5 4 0 -3.28870040809684 3644663 CC1=CC=C(C=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=CC=C(C=C3)C 1 3.672 2 6 0 -7.64793059599412 3644642 C1COCCN1C2=NC=NC3=C2N=CN3C(C(Cl)(Cl)Cl)NC=O 1 0.651 6 2 0 -5.283228033304 3644628 CC1=CC=CC=C1C(=O)NC(C(=O)N)P(=O)(OC(C)C)OC(C)C 1 1.563 2 5 0 -12.9704024263383 3644532 C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)CC#N 1 2.638 3 2 -8.25803055938034 3644529 CC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)CC2=CC=C(C=C2)C 1 3.226 1 3 -16.0511250343627 3644471 C1CCN(CC1)C(=O)COC(=O)CCC(C(=O)OCC(=O)N2CCCCC2)NC(=O)OCC3=CC=CC=C3 1 2.085 3 8 0 -20.6502257996372 3644443 CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCC2)C(=O)N)NC(=O)C3=CC(=CC=C3)Cl 1 4.33 3 4 0 -14.9117643541728 3644393 CC1=CC2=C(C=C1)NC(=C2CCN(CC3=CC=CO3)C(=S)NC4=CC=C(C=C4)OC)C 1 6.627 3 2 -6.68890159625975 3644374 C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)O 1 2.029 1 5 -6.65798759210465 3644361 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 2.794 2 3 -7.7836745094252 3644274 CC1=NN2C(=C(SC2=N1)C(C3=CC(=C(C(=C3)OC)OC)OC)N4CCC5=CC=CC=C5C4)O 1 4.089 4 4 0 -6.92454554998161 3644311 CC1=C2CC(SC2=NC3=CC=CC=C13)C(Cl)Cl 1 4.795 1 0 2.44188405425075 3644194 CCCNC1=NC(=C(C=C1C#N)C(=O)OCC)C2=CC=CC=C2 1 3.457 3 2 -2.74809654424196 3644169 C1=CC2=C(NC(=O)C(O2)CCCl)N=C1 1 0.871 2 2 0 -6.54552798132303 3643975 CC1=C(C(NC(=O)N1C)C2=C(C=CC3=CC=CC=C32)OC)C(=O)OC 1 2.162 2 4 -14.8301031463848 3643960 CN(C1CCCCC1)C(=O)CN2C(=O)C3C4CC(C3C2=O)C(C4Br)Br 1 2.308 2 3 -11.7183883290588 3643898 CCC(C1=CC=CC=C1)C(=O)NC2=NC3=CC=CC=C3NC(=C2C(=O)OCC)C 1 3.934 3 3 -18.3662864411652 3643887 C1=CC=C(C(=C1)C2=CC=NC3=NC=NN23)OCC4=CC=C(C=C4)Cl 1 4.419 4 1 -3.94274464980342 3643885 CC1CN(CC(O1)C)C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F 1 2.608 3 2 -10.9757266206396 3643791 CC(=O)NC1=C(SCC1)C(=O)OC 1 -0.479 1 3 0 -5.05649577761433 3643685 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC2=NCCCCC2 1 2.193 3 2 -15.6339839435915 3643660 CC(C(=O)N(C)C1CCCCC1)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 3.567 2 5 0 -10.4904723543977 3643582 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NN=C(O3)C4=CC=CC=C4F 1 2.904 4 3 0 -14.1521878891738 3643569 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CSC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C(=O)O 1 1.192 3 9 0 -24.1472913148717 3643516 CCCC1=C2CCCCC2=C(C(=N1)Cl)C#N 1 4.35 2 0 -4.06518434198171 3643454 CCOC(=O)C1CCCN(C1)CC2=CC(=O)OC3=C2C=CC(=C3)OC 1 2.728 1 5 -8.29628265513519 3643325 C1CCN(C1)C2=NC(=C(C(=C2C#N)CC#N)C#N)N 1 0.685 6 0 0 -4.75550995136949 3643290 CCOC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3F 1 3.021 3 3 -9.37980188390393 3643181 CCC(C(=O)NCCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.697 2 4 -18.5879780475354 3643179 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)N 1 3.308 2 1 -9.36343094290436 3643177 CCOC(=O)C(C)(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)F 1 2.641 4 3 0 -3.49317955811403 3643176 CCC(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)F 1 3.039 4 1 -3.69203236973082 3643172 COC1=CC(=C(C=C1)OC)N(CC(=O)NC2CCCC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.919 2 7 0 -22.5330568511936 3643140 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.571 3 4 0 -11.5200991222115 3643101 C1C(CC(=O)C2=C1OC(=C(C2C3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)F)C#N)N)C5=CC=CO5 1 4.758 2 4 -22.7159194738392 3643063 CNC1=NC2=C(S1)C3=C(C(C(=C(O3)N)C#N)C4=CC(=CC=C4)F)C(=O)N2 1 1.318 5 2 0 -14.5697689390811 3643008 CN1C2=C(C(NC1=O)C3=CC=CC=C3)C(=O)N(C2)C4=CC5=CC=CC=C5C=C4 1 2.784 3 2 -11.748224436565 3643002 CCNC(=O)ON=C1CCCCC1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.833 4 6 0 -6.94550749544462 3642963 CCCCCNC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC=C(C=C3)OC 1 4.104 3 2 -7.52577535722952 3642952 COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3CCCC4=CC=CC=C34 1 3.959 1 3 -7.62978179326253 3642937 CC1CCCC(C1C)NC(=O)CSC2=NCCS2 1 3.349 2 1 -17.917247886377 3642905 CC1=CC(=NC(=N1)N)N2CCOCC2 1 -0.123 4 1 0 -2.77892485665494 3642889 C1CC(CCC1NC(=S)NC2=CC=C(C=C2)SC(F)F)NC(=S)NC3=CC=C(C=C3)SC(F)F 1 8.731 4 0 -8.44883219376196 3642785 CCCCC1=CC=C(C=C1)NC(=O)C2CCCO2 1 3.138 1 2 -12.4135668191162 3642700 CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)SC(=S)N2C4=CC=CC=C4OC 1 6.015 3 5 0 -19.5341372193945 3642652 C1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)C(=O)O)N=NC3=CC=C(C=C3)C(=O)O 1 5.19 4 4 0 0.570569230130209 3642614 C1CN2C(=C(C(=O)N=C2SC1)C(C3=CC=C(C=C3)O)C4=C(N5CCCSC5=NC4=O)O)O 1 3.068 4 5 0 -13.941792789767 3642546 COCCCNC(=O)C1=CC(=O)N(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl 1 2.806 2 3 -7.5693138213676 3642542 CN(C)CCCNC1=NC(=C(C(=N1)NC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-])N 1 1.215 7 4 0 0.231427813889739 3642355 CC(=NNC(=O)C1=CC=C(C=C1)O)C2=CC3=CC=CC=C3O2 1 3.016 2 3 0.622471940771681 3642202 C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 4.341 3 5 0 -11.2554712236473 3642065 C1=CC(=CN=C1)CSC2=CC=C(C=C2)N 1 2.058 2 0 0.263611347268935 3642028 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=O)CCC(=O)O 1 0.27 5 4 0 -23.2685209019302 3641950 COC1=CC2=C(C=C1)OC(=NC3=C(C=CC(=C3)F)F)C(=C2)C(=O)N 1 3.093 2 3 -0.747557510389527 3641880 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.628 3 5 0 -12.2971096334734 3641879 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC3CCCCC3 1 3.877 2 3 -9.15760276124648 3641876 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCCC3 1 2.685 2 3 -7.56703775093485 3641875 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.854 3 3 -3.91283193182557 3641859 CC1=CC2=CC=CC=C2N1CCNC(=O)C3CCCCC3 1 3.793 2 1 -11.6140945779994 3641809 CCC1=CC=C(C=C1)OCC(=O)NN=C2CC(=O)C3=CC=CC=C23 1 3.196 2 3 -8.13404268773674 3641698 CC1CCN(CC1)C(=O)COC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.482 2 5 0 -16.0292971189305 3641692 CCOC(=O)C1=C(SC(=N1)NCC2=CC=CC=C2)C 1 2.525 2 2 -6.33211531556269 3641634 CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=C(C=C2)Cl)NC3=NOC(=C3)C 1 3.669 3 3 -14.6258886318543 3641576 COC1=C(C=C(C=C1)C2=C3C(=NN2)OC(=C(C34C5=CC=CC=C5N(C4=O)CC(=O)O)C#N)N)OC 1 1.984 5 6 0 -14.3342022913361 3641574 CC1=C(N(C2=C1C=C(C=C2)C(=O)NCC3=CC=CS3)C)C 1 3.492 2 1 -6.94081380677509 3641535 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2Br)C 1 3.625 3 3 -9.77137355520093 3641495 CCOC(=O)C1=C2C(=C(S1)C)C(=O)NC(N2)(C)C3=CC=CC4=CC=CC=C43 1 3.599 2 3 -5.30421910384472 3641256 CC1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CF 1 4.256 3 1 -21.2568849139292 3641207 CCN(CC)P(=O)(C1=NC=CN1C)N(CC)CC 1 0.592 4 1 0 -2.03411645091132 3641164 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 -7.3e-002 2 8 0 -33.9682802236623 3641147 CC1=C(C=C(C=C1)C2=NN(C(O2)(C)CC3=CC=C(C=C3)OC)C(=O)C)[N+](=O)[O-] 1 3.288 3 5 0 -7.22521944793612 3641133 C1=CC(=NC(=C1[N+](=O)[O-])NCC(=O)O)Cl 1 1.276 3 4 0 -7.57313516716923 3641131 CC(C(=O)NN=C(C1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3 1 3.615 3 1 -11.1238248186511 3641123 CCOC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2C)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 3.454 4 3 0 -11.4022269173798 3641121 CCOC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2Br)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 3.716 4 3 0 -8.09401771554848 3641118 CC1C2=CC(=C(C=C2CCN1CC3=C(C=CC(=C3)C=NNC(=O)C4=CC=CC=C4[N+](=O)[O-])OC)OC)OC 1 4.637 4 6 0 -23.1316019565 3641116 CCOC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2[N+](=O)[O-])CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 2.862 5 5 0 -12.622928446771 3641113 CC1C2=CC(=C(C=C2CCN1CC3=C(C=CC(=C3)C=NNC(=O)C4=CN=CC=C4)OC)OC)OC 1 3.592 4 4 0 -21.333019477201 3641109 CCOC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)Br)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 3.716 4 3 0 -8.47584621179162 3641078 CCN1C2=C(N=C1N3CCN(CC3)CC(=O)C4=C(N(C5=C4C=C(C=C5)OC)C)C)N(C(=O)NC2=O)C 1 1.968 7 4 0 -4.13005277677369 3641052 CCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=CC=CC=C3S2)Cl 1 2.735 5 3 0 0.418544256577862 3640885 CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCC=C 1 2.74 5 3 0 -21.2336481809627 3640792 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F 1 3.495 4 3 0 -23.8377499316737 3640782 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC3=CC=C(C=C3)F 1 1.862 3 4 0 -29.981655254887 3640710 C1=CC(=C(N=C1)[N+](=O)[O-])OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 3.509 3 5 0 2.01500481134348 3640693 CCCC(=O)NCCC1=NC2=CC=CC=C2N1CCC 1 3.115 3 1 -15.0950967273069 3640629 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(O4)C 1 2.481 2 6 0 -19.6759526491872 3640616 C1COC(=O)C1OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4 1 3.495 1 4 -9.8687889262675 3640556 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=N2 1 0.716 3 5 0 -15.4789267180273 3640468 CSC1=CC=CC=C1NC(=O)C2=NOC(=C2)C3=CC=CO3 1 3.244 2 3 -9.20253157806962 3640413 CC1=CC=C(C=C1)C(O)P(=O)(OC2CCCCC2)OC3CCCCC3 1 4.941 0 4 -2.01069411381205 3640365 C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)C=O)F 1 3.799 1 3 -5.29812402058905 3640363 C1=CC=C2C(=C1)C(=C(N2CC(=O)O)C(=O)O)C=O 1 1.491 1 5 0 -5.28439607453553 3640317 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)OCC(=O)NC4=CC=CC=C4 1 3.365 3 4 0 -11.80573247742 3640285 CC1=C(C=C(C=C1)NCC2=CC=CC=C2O)C 1 3.952 1 1 4.3759635365994 3640249 CC1C(=O)N(C(=O)CS1)CC(=O)NCCC2=CC=CC=C2 1 0.979 2 3 0 -17.5932418342669 3640176 C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.952 3 3 -10.2837809587026 3640175 C1CC(CCC1CNS(=O)(=O)C2=CC=CS2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.52 3 3 -12.3306668622311 3640171 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Br 1 2.817 3 3 -10.6315476730976 3640169 CC1=CC=CC=C1NC2=C(N=C3N2C(=CC=C3)C)C4=CN=CC=C4 1 4.224 4 0 -1.09793957613418 3640167 CC1=CN2C(=NC(=C2NC3=CC=CC=C3C)C4=CN=CC=C4)C=C1 1 4.428 4 0 -0.752084452211949 3640166 CC1=CC2=NC(=C(N2C=C1)NC3=CC=CC=C3C)C4=CN=CC=C4 1 4.428 4 0 -2.37153942915947 3640074 CN1C2=CC=CC=C2C(=C1Cl)C=NOC(=O)C3=CC(=CC=C3)Cl 1 4.766 2 2 2.24123266047007 3640066 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCCN5CCOCC5)C 1 1.754 5 4 0 -23.7923013171353 3640026 C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=CS5 1 6.818 4 2 -5.45822899214655 3640013 CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N(CC3=CC=CO3)C(=O)CC4C(=O)NC(=O)N4 1 2.803 4 5 0 -24.5927356626784 3640000 CN(C)C1=CC=C(C=C1)CNC2=C(C=C(C=N2)Br)Br 1 4.269 3 0 -1.7738729719411 3639903 CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(N(C(=C3)C)C(C)COC)C 1 4.676 2 2 -4.27939312143346 3639900 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl 1 2.195 4 3 0 -19.3853613634741 3639895 CC(C(C1=CC=CS1)N2CCCC2)NC(=O)NC3=CC(=CC=C3)Cl 1 4.046 3 1 -2.74990526638901 3639893 CC(C(C1=CC=CS1)N2CCCC2)NC(=S)NC3=CC=CC=C3Cl 1 5.612 3 0 -6.02758795690467 3639891 CC(CC1=CC=CS1)NC(=S)NC2=CC=C(C=C2)Cl 1 5.125 2 0 -8.53551326821441 3639890 CC(CC1=CC=CS1)NC(=S)NC2=CC=C(C=C2)F 1 4.667 2 0 -9.64563493333598 3639889 CC(CC1=CC=CS1)NC(=O)NC2=CC=C(C=C2)F 1 3.101 2 1 -8.11171738863052 3639691 CC(C)C(C(=O)NC1=CC2=C(CCC2)C=C1)NC(=O)C3=CC(=CC(=C3)OC)OC 1 4.025 2 4 -24.4197421149799 3639689 CS(=O)(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3O 1 1.372 3 4 0 -6.06383113345157 3639621 CC(=NN=C1N(C2=CC=CC=C2S1)C)C3=CC=CC=N3 1 3.268 4 0 -2.7552909275498 3639592 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NS(=O)(=O)C3=CC=C(C=C3)OC 1 2.739 3 5 0 -10.6956148030845 3639548 CCCOC1=CC=CC(=C1)C(=O)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3 1 3.191 1 4 -13.5715997706725 3639489 COC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4 1 3.697 4 4 0 -24.7258927818512 3639488 COC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)Cl 1 4.974 3 4 0 -12.6631843562247 3639475 C1=CC(=CC=C1C(=O)CSC2=NC3=NN=CC3=C(N2C4=CC=C(C=C4)Br)N)Br 1 4.628 5 1 -5.16942072760986 3639390 CC1=C(NC2=C1C(=O)CC(C2)C3=C(C=CC(=C3)OC)OC)C(=O)OCC4CCCO4 1 3.558 1 6 0 -16.8750025981942 3639264 CC1=C(C(=NN1CC(=O)OCC(=O)NC2=C(C=CC=C2C(C)C)C(C)C)C)[N+](=O)[O-] 1 3.534 4 5 0 -11.1320803635243 3639258 CC(C)N(C(C)C)S(=O)(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.943 4 3 0 8.21412603605148e-002 3639256 CCOC(=O)CC1=CSC(=N1)SCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3 1 3.948 2 3 -20.3834829960883 3639254 CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC=C(C=C2)Br 1 4.543 3 0 -8.87697849278891 3639253 C1C(CN(C1C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=C(C=C4)Cl)O 1 1.505 2 7 0 -12.4913819811636 3639252 CC1=C(C=C(C=C1)NC(=S)NC(C)CCC2=CC=CC=C2)C 1 6.223 2 0 -7.9092632545193 3639191 C1=CC=C(C(=C1)NC(=O)NCCCl)OCCOC2=CC=CC=C2NC(=O)NCCCl 1 3.008 4 4 0 -11.8915870430562 3639215 CC(COC)NC(=S)NCCC1=C(C=C(C=C1)Cl)Cl 1 4.137 2 1 -10.8472278308141 3639126 C1=CC2C3C(C1O2)C(=O)N(C3=O)NC(=O)C4=CC=NC=C4 1 -1.05 3 4 0 1.27907519332992 3639026 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 3.083 9 3 0 -16.1640610264085 3639010 COCCCNC(=S)N(CC1=CC=CC=C1)CC2=CC=CC=C2 1 4.292 2 1 -13.4549656010916 3638999 CN1C(=C(C(=N1)C2=CC=CC=C2)C(=O)NCC(=O)O)Cl 1 1.575 3 3 0 -5.82535563361244 3638908 CCC1CCCCN1C(=O)COC2=CC=CC3=C2CCN(C3=O)C 1 2.386 2 3 -13.5732260750346 3638900 C1=CSC(=C1)C(=O)NCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl 1 4.02 4 1 -11.2508150306622 3638768 C1CN(CCN1CC#CCN2C(=O)C3=CC=CC=C3C2=O)CC#CCN4C(=O)C5=CC=CC=C5C4=O 1 2.82 4 4 0 -1.26976043516211 3638702 CC1(CC2=C(C(=NC(=C2CO1)N3CCOCC3)SCCC(=O)OC)C#N)C 1 2.444 3 4 0 -21.932269701272 3638698 CC1=CC=C(O1)C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.325 2 2 -0.290937087195503 3638695 CC1=NN2C(=CC=NC2=C1Br)C3=CC=C(C=C3)F 1 3.286 3 0 1.23918856601179 3638638 CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=O)CC2=CC=C(C=C2)OC 1 2.198 3 4 0 -11.966432863343 3638637 CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.547 3 4 0 -12.0351040801951 3638636 CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.709 3 3 -17.0654676032864 3638633 CCCC(=O)NNC(=O)CCC(=O)NCC1=CC=CC=C1 1 0.673 3 3 0 -19.1179504958042 3638630 C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=O)NC2=CC=C(C=C2)Cl 1 1.787 4 3 0 -14.3540925063132 3638549 CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)COC2=CC3=CC=CC=C3C=C2)OC 1 3.439 1 6 0 -13.2853628446774 3638428 COP(=O)(OC)OC1=CC=C(C=C1)C(C(Cl)(Cl)Cl)O 1 2.433 0 5 -0.543201679494532 3638425 CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3 1 1.847 1 6 0 -15.1657090193478 3638396 CC(C)C(C(=O)N1CCC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)OC 1 3.265 2 3 -21.9200904090299 3638390 CCS(=O)(=O)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O 1 2.481 1 7 0 -16.4743036140118 3638388 CC1=CC=C(C=C1)C2=CN(C(=O)C(=C2)C#N)CC3=C(C=CC=C3Cl)Cl 1 4.598 2 1 -5.01452653229109 3638383 CC1=C(N=CC=C1)NC(=O)C2=CC=C(O2)C 1 2.03 2 2 -1.99924242210717 3638375 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=O)C4=CC=CC=C4O3 1 1.82 2 7 0 -25.9468553321637 3638362 CC1=CC=C(C=C1)N2C(=NN=N2)C3=CC=CC=C3 1 3.128 4 0 -3.96217520389091 3638292 C1CC(CN(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCC4=CC=CC=C4C3 1 2.817 3 4 0 -14.5465779683753 3637942 CCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4)C(=O)N(C1=S)CC 1 2.325 4 4 0 -10.5976031760716 3637940 CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C 1 2.074 4 5 0 -15.0534278009198 3637883 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 1.207 4 7 0 -21.00600177433 3637847 CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CC3 1 0.835 2 4 0 -16.6165394483282 3637814 C1=CC=C2C(=C1)N=CN2CC(=O)NC3=CC=C(C=C3)SC(F)F 1 3.551 3 1 -9.1722591266991 3637794 CCOC(=O)C1=C(NC(=S)NC1C)C2=CC(=CC=C2)F 1 2.907 2 2 -10.197201584382 3637729 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 2.246 4 4 0 -22.0172986130901 3637437 CCC(C(=O)NCCC1=CCCCC1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 3.119 2 4 -21.2606154464896 3637430 CCC(C(=O)NCC1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.862 2 4 -17.8149696186768 3637292 COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42 1 4.727 4 2 -14.8848662236258 3637241 CC(=O)NCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)N3CCCC3 1 2.033 4 4 0 -11.2591668788428 3637239 C1CCN(C1)C=C2C(=O)CC(CC2=O)C3=CC=CC=C3 1 1.992 1 2 0 -6.79168904115144 3637201 CN(C)C1=NN(C(=N1)N(C)C)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.078 5 3 0 -5.17087955650629 3637200 CC1(C(=O)NC2=CC=CC=C2O1)C(=O)NCC3=CC=CC=C3 1 1.923 2 3 0 -11.2336135904649 3637151 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C45CC6CC(C4)CC(C6)(C5)N7C=NC=N7 1 3.719 4 1 -9.02805201512631 3637025 CN1CCN(CC1)C(C2=CC=C(C=C2)F)C3=C(C4=C(C=CC=N4)C=C3)O 1 3.622 3 1 3.25607505033369 3636890 CCC(N1CCOC1=O)S(=O)(=O)C2=CC=C(C=C2)C 1 2.515 1 4 -7.69822641648479 3636878 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N 1 0.747 3 6 0 -19.0859088920023 3636779 CC(C)C1=NC(=NN1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N 1 1.384 5 3 0 -14.5816178784918 3636761 CC(=O)C1C(=NC2=CC(=CC=C2)Cl)C3=C(C1=O)C(=CC=C3)[N+](=O)[O-] 1 3.427 2 4 -0.490675818373631 3636695 CCNC1=NN=C(CS1)C2=C(N(C(=C2)C)CC3=CC=CO3)C 1 2.852 4 1 -7.83951482452392 3636653 CN1C(=O)C(=C(NC1=O)NC2=CC=CC=C2)[N+](=O)[O-] 1 1.003 4 4 0 -6.36453938861467 3636644 COC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)N)NS(=O)(=O)C2=CC=C(C=C2)F 1 1.288 4 5 0 -20.158336711852 3636620 CCCCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)O 1 2.857 1 3 6.06680231690849e-002 3636585 CC(C)C1=NC(=NN1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC 1 2.557 5 4 0 -14.4919870369727 3636584 CC(C)C1=NC(=NN1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 2.557 5 4 0 -11.2104833023088 3636547 C1CCC(C1)C(=O)NCCCCCCNC(=O)C2CCCC2 1 3.461 2 2 -9.34227506975489 3636488 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.793 4 8 0 -14.830211746513 3636451 CC1CN(CC(O1)C)C(C2=CC(=C(C(=C2)OC)OC)OC)C3=C(N4C(=NC(=N4)C)S3)O 1 2.873 4 5 0 -8.33199213589308 3636450 CC1=NN2C(=C(SC2=N1)C(C3=CC(=C(C(=C3)OC)OC)OC)N4CCOCC4)O 1 2.118 4 5 0 -6.8415236248585 3636449 CC1CC(CN(C1)C(C2=CC(=C(C(=C2)OC)OC)OC)C3=C(N4C(=NC(=N4)C)S3)O)C 1 3.986 4 4 0 -7.5462099710179 3636424 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3 1 2.708 4 4 0 -7.01054184595474 3636414 CC1=CC(=C(C(=C1)OC)O)CN2CCC(=CC2)C3=CC=CC=C3 1 4.217 1 2 -0.344541315014687 3636331 CC(=NNC(=O)C1CC1)C2=CC3=C(C=C2)C=C(C=C3)OC 1 2.649 2 2 -4.30314415591752 3636327 CC(C)(C)C1CCC(=NNC(=O)C2=CC(=NN2)C3=CC=CC=C3)CC1 1 4.256 4 1 -6.59493217727607 3636324 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CCC2=NC3=CC=CC=C3S2 1 2.486 3 4 0 -12.4576433152559 3636283 C1=CC=C(C=C1)C2=NN=C(O2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.583 2 1 -2.87559159457408 3636275 C1CC(=NNC(=O)COC2=CC=C(C=C2)C#N)C3=CC=CC=C31 1 2.703 3 2 -9.05270387763581 3635936 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 2.252 3 5 0 -19.2848625306753 3635905 CCOCCCN1CC(CC1=O)C(=O)NCC2=CC3=C(C=C2)OCO3 1 0.364 2 5 0 -21.7471645161086 3635602 CC1CC(CN(C1)C(=O)COC(=O)C2=CN=C(C=C2)Cl)C 1 2.229 2 3 -14.4854112525921 3635563 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN=C2CCCC2 1 2.949 2 4 -14.7360119851152 3635550 CC1=CC=C(C=C1)NC(=O)ON=C2CCCCC2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.547 4 6 0 -2.91446978763387 3635549 C1CCC(=NO)C(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.665 3 5 0 -2.39575539354722 3635548 C#CCNC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)Cl 1 4.461 1 2 -6.72185050197009 3635547 C1CCC(=NOC(=O)NC2=CC=CC=C2)C(C1)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.06 4 6 0 -3.07112392600722 3635511 C1CCN(CC1)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 1.819 2 4 0 -14.5889655735796 3635475 CC(C)OC1=CC=C(C=C1)C=NNC(=O)C(CSCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.68 4 5 0 -20.3004738609308 3635397 CCOC(=O)C1=C(C2C=C(C=CC2N=C1)C)OCC3=CC=C(C=C3)Cl 1 3.734 1 3 -0.133626435829155 3635365 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N)C 1 2.473 7 4 0 -21.063700379329 3635322 CC1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-] 1 2.556 2 5 0 -17.7351335154918 3635312 COCCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 1.081 3 5 0 -29.1314115415198 3635249 CCN1C(=C(C(=N1)C)[N+](=O)[O-])C(=O)NNC(=O)C2=CC=CC=C2Cl 1 2.003 5 4 0 -7.77734338048432 3635236 C=CCNC(=S)NC1=CC(=C(C=C1)N2CCOCC2)S(=O)(=O)NC3=CC=CC=C3Cl 1 4.131 4 3 0 -13.6648277921919 3635174 CC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3C(=O)CCC3=O 1 -1.676 4 5 0 -19.4405694445337 3635156 CC1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Cl 1 3.554 2 4 -1.51778768590027 3635143 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=NS3)C4=CC=CC=C4Cl 1 3.93 3 3 -10.1360872855308 3635126 C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)SC3=NN=C(O3)C4=CC=CS4 1 6.127 3 2 -10.1266229550947 3635103 CCC(C)NC(=O)CSC1=NC2=C(C(=O)N1CCCN3CCOCC3)SC4=CC=CC=C42 1 3.588 4 3 0 -25.0885319551777 3634990 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC 1 5.232 2 4 -7.29890689323874 3634961 CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4 1 3.293 2 5 0 -14.7881427025223 3634861 CC1CCCCC1NC(=O)CN2C(=O)C(NC2=O)(CC3=CC=CC=C3)CC4=CC=CC=C4 1 4.19 3 3 -10.8487164813511 3634737 CC1=CC(=NO1)NC(=O)CN2C3=CC=CC=C3OC2=O 1 1.321 3 4 0 -13.8856454475992 3634668 CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=O)C3=CC=CO3)OC)C)[N+](=O)[O-] 1 2.618 5 5 0 -10.543316468118 3634667 CCOC1=C(C=C(C=C1)C=NNC(=O)COC2=CC=C(C=C2)OC)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 2.786 4 5 0 -9.36616516707656 3634641 CC1=C(C=CO1)C(=O)NN=CC2=CC(=C(C=C2)OC)CN3CCN(CC3)C4=CC=C(C=C4)F 1 3.824 4 3 0 -1.20831486371091 3634560 CC(C)C1=CC=C(C=C1)NC(=O)CC2=CN(C3=CC=CC=C32)C 1 4.343 2 1 -4.19640933341289 3634543 C1=CC(=C(C=C1NN=CC2=CC=NC=C2)C(=O)O)Cl 1 2.592 3 2 -2.39306030563909 3634527 CC1=CC2=C(C=C1)N=C(C=C2C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4 1 5.735 2 3 -4.07976462909765 3634492 CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)N3C=CN=C3)C 1 1.591 3 2 0 -2.3745884232908 3634410 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NN=CC3=CC(=CC=C3)Cl 1 3.959 5 0 4.38807986749726 3634397 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2CCS(=O)(=O)C2)C 1 0.473 2 7 0 -22.4330394860182 3634387 C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)N(C=N3)C4=CC(=CC=C4)F 1 2.9 3 2 -6.64643299008675 3634386 COC(CNC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC(=CC=C3)F)OC 1 2.479 3 3 -6.23760091187918 3634352 C1=CC=C2C(=C1)C(=O)N(C=N2)NC(=O)C3=CC=C(C=C3)Br 1 2.538 3 2 -5.7948853046761 3634347 C1COCCN1S(=O)(=O)NCC(=O)NN=CC2=CN=CC=C2 1 -2.003 5 4 0 -13.6100752770427 3634309 COC1=C(C=C(C=C1)C(=O)NCCCN2CCN(CC2)CCCNC(=O)C3=CC(=C(C=C3)OC)OC)OC 1 2.05 4 6 0 -11.7345590480023 3634307 CC(=NNC(=O)CCCC(=O)NN=C(C)C1=CN=CC=C1)C2=CN=CC=C2 1 0.203 6 2 0 -11.6592667416052 3634264 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=CC(=CC=C3)Cl 1 2.486 3 3 -6.34824249582631 3634255 CCN(CC)C(=O)CC1=CN(C2=CC=CC=C21)C 1 2.475 2 1 -6.53521476229506 3634231 C1CCC(C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.175 3 2 -9.70841060717124 3634192 CCOC(=O)C(C)SC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 5.449 3 3 -3.63773200488174 3634185 CCC(=O)NC1=NC2=C(S1)COC3=CC=CC=C32 1 2.376 2 2 -1.16802190666383 3634125 COC(=O)C(=NNC1=CC=CC=C1Cl)SC2=NN=C(N2C3=CC=CC=C3)C(C4=CC=CC=C4)O 1 5.676 5 3 0 -8.13384843153384 3634110 CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N(C)C 1 1.941 5 3 0 -13.263706825107 3634078 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br 1 2.512 3 5 0 -7.42287360140483 3634041 COC1=CC=CC=C1NC2=NC(=NC(=N2)Cl)NC3=CC=CC=C3OC 1 3.636 5 2 0 -3.14260772662793 3633991 CN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 0.349 2 6 0 -16.6588933473846 3633964 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=CC=CC=C3 1 1.821 3 3 0 -9.61680350748032 3633841 CC(C(C)(C)C)NC(=O)C1(CC1(Br)Br)C 1 3.051 1 1 -8.35840047474189 3633777 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2O)Cl 1 1.809 2 1 0 4.06814207253052 3633758 CC1CCCCC1NC(=O)CCN2C3=CC=CC=C3SC2=O 1 3.589 2 2 -11.7949487335952 3633715 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC3=CC=CC=C3N2 1 3.052 4 3 0 -3.83684487567548 3633686 C1CN(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3 1 3.786 3 3 -13.7140581376242 3633677 CCC1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32 1 3.78 1 2 1.56993372346307 3633659 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCC5=CC=CC=C54 1 5.818 5 2 0 -21.2572710823182 3633635 COC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCC3 1 2.317 6 3 0 0.131962748063209 3633466 C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CC(=O)NC4=C(C=CC(=C4)Cl)Cl 1 5.277 3 2 -3.20614757137325 3633465 C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CC(=O)NC4=CC(=CC(=C4)Cl)Cl 1 5.277 3 2 -4.1080089778327 3633463 C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CC(=O)NC4=CC(=C(C=C4Cl)Cl)Cl 1 5.941 3 2 -2.68638552855955 3633236 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3 1 2.194 4 4 0 -23.7946247196146 3633154 C1=CC=C(C=C1)N2C(=O)C(SC2=N)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.796 4 4 0 -11.4055829162704 3633145 CC1=CC=CC=C1NC2=C(C(=O)OC2OC(C)C)Cl 1 3.127 1 3 -4.00219594079915 3633052 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=NNC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5 1 2.1 8 3 0 -3.96447900485872 3633042 CCOC(=O)NN=C(C)C1=CC=C(O1)[N+](=O)[O-] 1 1.405 3 5 0 -5.04371746855289 3632941 CCN(CC)C1=NC(=C(C(=N1)NCCO)[N+](=O)[O-])N 1 -0.166 6 3 0 -2.2719278185299 3632921 CCCCC(C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)NS(=O)(=O)C4=CC=C(C=C4)C 1 5.478 1 6 0 -23.7156702019858 3632920 COP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)[N+](=O)[O-])OC 1 2.63 2 5 0 -8.79170475349076 3632918 C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)CN3C4=CC=CC=C4N=C3C(F)(F)F 1 4.156 3 3 -4.72015686153481 3632857 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)SC=C4 1 2.636 2 3 -12.4590991820771 3632817 COC(=O)C1C2CCC(C2)C1C(=O)OCC(=O)C3=CC=CC=C3 1 2.489 0 5 -9.1635650584246 3632772 CC1=CC(=C(C=C1)C)NC(=S)NCC2=CC3=C(C=C2)NC4=C3CCCC4 1 6.744 3 0 -2.62226422024435 3632726 CC1=CC=CC=C1C(=O)NN2C=NC3=CC=CC=C3C2=O 1 2.276 3 2 -8.87448331068235 3632718 CC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)C 1 1.576 4 7 0 -13.0247332028605 3632715 CCCCNC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br 1 4.111 3 3 -11.2769778094595 3632614 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC(=O)CC4C(=O)NC5=CC=CC=C5S4 1 3.46 2 6 0 -16.5888242493965 3632579 CCC1=CC(=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 4.064 2 3 -9.14748368582725 3632532 COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3 1 1.779 6 5 0 -0.755171832019693 3632527 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4 1 2.877 3 4 0 -13.9714580955444 3632467 C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC(=O)N4C=C(C=CC4=N3)Cl)NCC5=CC=C(C=C5)Cl 1 4.687 5 1 -9.37708190477308 3632449 CN1C=C(C2=CC=CC=C21)CC(=O)NCCN3CCOCC3 1 1.398 3 2 0 -10.8994616859007 3632445 CN1C=C(C2=CC=CC=C21)CC(=O)NCC3=CC=C(C=C3)F 1 3.361 2 1 -7.78709235724897 3632441 CCC(C)NC(=O)CC1=CN(C2=CC=CC=C21)C 1 2.822 2 1 -12.3344340930381 3632372 CC1=CC=CC2=C1NC(=C2CCNC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-])C 1 4.74 3 5 0 -0.660503174683481 3632369 C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=CC5=C4N=CC=C5 1 3.719 3 0 -8.95916378724329 3632340 C1=CC=C(C=C1)CC(C(=O)N)N2C(=O)C3=CC=CC=C3C2=O 1 1.756 2 3 0 -7.02020009522539 3632329 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 1.938 2 4 0 -3.73662558344573 3632302 CC1=CC=C(C=C1)OCC(=O)NNC2=C3C=CC=CC3=NC4=CC=CC=C42 1 4.481 3 2 1.08648222680184 3632243 CC1CCN(CC1)C(=O)COC(=O)CC2=CC=C(C=C2)Br 1 2.903 1 3 -12.3840276441383 3632239 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C(S3)N 1 0.686 4 3 0 -9.66188461204833 3632232 CC1=NC(=C(C=C1)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-] 1 1.62 4 5 0 -14.8238575368547 3632230 C1=CC=C2C=C(C=CC2=C1)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 2.41 3 4 0 -12.6971477235995 3632211 CC1=C(C=C(C=C1)NC(=O)CC2=CN(C3=CC=CC=C32)C)F 1 3.84 2 1 -2.7364617040743 3632171 CCOC(=O)C1=C(N=CC=C1)SCC(=O)NCC2=CC=CC=C2 1 2.607 2 3 -20.0129336538662 3632167 CC1(CC(=O)C2=C(O1)C=CC(=C2)OCC(=O)N3CCCCCC3)C 1 2.692 1 4 -13.7157076078095 3632147 CC1(C2CCC(C2)C1(C)N=C3OC(CS3)CCl)C 1 4.395 1 1 -1.35211316377881 3632034 CC(C(=O)NNC1=NC(=CC=C1)Cl)Cl 1 1.614 3 1 0 -3.9542512782286 3631937 CC(C)CNC(=O)COC(=O)C(CCSC)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-] 1 1.108 4 8 0 -36.4655680605118 3631803 CC1=C(C(C2=C(N1)CCCC2=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)Br)C(=O)OC 1 5.038 3 3 -32.9443056219852 3631779 CCOC(=O)N1CCC(=NNC(=O)COC2=CC=CC(=C2)C)CC1 1 1.751 3 4 0 -8.24039209819129 3631691 CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N(CC)CC 1 4.326 1 4 -14.6531259513582 3631689 C1=CC=C(C(=C1)N)NC2=C(C=NC=C2)[N+](=O)[O-] 1 1.377 4 2 0 -2.03866927489874 3631677 C1=CC=C2C(=C1)C=CC=C2CNC(=O)CN3C=NC=N3 1 1.347 4 1 0 -16.1802272381383 3631676 CC(C)CC(=O)C1=CNC(=C1)C(=O)NCCC2=CC=CC=N2 1 2.434 3 2 -8.51465898068913 3631644 C1=CC=C(C=C1)C(=O)NCSC2=CC=CC=C2 1 3.21 1 1 -5.31749120704546 3631618 CC(C)C(CC(=O)NCCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 2.294 3 4 0 -22.2613176390228 3631617 CCCNC(=O)CC(C(C)C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C 1 1.262 3 4 0 -23.8328601361251 3631615 CCC(C)NC(=O)CC(C(C)C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C 1 1.639 3 4 0 -24.5050041330856 3631511 CN1C(=O)CC(C1=O)N2CCN(CC2)CC(=O)N 1 -1.75 4 3 0 -2.40303488208709 3631501 C1CCC(=O)C(C1)SC2=NN=C(S2)NC3=CC=CC=C3 1 3.185 3 1 -5.81813905151701 3631500 CC(C)CC(C(=O)NCCC1=C(C=C(C=C1)Cl)Cl)NC(=O)N 1 3.173 3 2 -14.531744907023 3631492 CC1=NC(=CC=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 3.408 3 4 0 -2.25953879965469 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CC1=CC(=NN1)NC(=O)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)SC5=CC=CC=C53 1 5.059 5 2 0 -15.8295824209357 3627447 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5 1 3.236 5 3 0 -13.0403026695442 3627405 CC(=O)C1=CC(=C(C=C1)NCC2COC3=CC=CC=C3O2)[N+](=O)[O-] 1 2.736 2 5 0 -7.15878696861532 3627395 COC1=CC(=C(C(=C1)OC)C=NNC(=O)COC2=CC=CC3=C2N=CC=C3)OC 1 2.655 3 5 0 -11.6926805070748 3627275 C1CCC(CC1)C(CC(=O)O)CN 1 -1.052 1 2 0 -6.76452770916408 3627251 CC1=C(C=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)N3CCC4=CC=CC=C43)C 1 2.768 3 3 -13.1822074283077 3627235 CC1=CC(=C(C=C1)NC2=C(C(=O)OC2OC(=O)C3=CC=CO3)Cl)C 1 3.917 1 5 -5.48416128295538 3627144 COC1=CC=C(C=C1)C2C(CSC3=C2SC(=O)N3)C(=O)N 1 1.672 2 3 0 -6.26438122275395 3627104 C1CC(OC1)CN2C(=CSC2=NC3=CN=CC=C3)C4=CC=C(C=C4)OC(F)F 1 3.601 3 2 -3.50965643155508 3627090 CC1(CCS(=O)(=O)C1)NC(=O)NCCCCCCNC(=O)NC2(CCS(=O)(=O)C2)C 1 -0.462 4 6 0 -15.1819874188533 3627083 CC1=CC(=C(C=C1)O)CNCCNCC2=C(C=CC(=C2)C)O 1 3.042 2 2 6.03640367355983 3627061 CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)OCC3=C(C=C(C=C3)Cl)Cl)CC4=CC=C(C=C4)F 1 4.94 4 3 0 1.30539936018053 3627042 CCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)N 1 1.592 3 3 0 -0.563809798680855 3626966 CC1=C(C=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)NC3=CC(=C(C=C3)OC)OC)C 1 2.455 3 5 0 -14.0142452297483 3626946 C1CN(C2=CC=CC=C21)C(=O)C(CC(=O)NCC3=CC=CC=C3)N4C=CN=C4 1 1.866 4 2 0 -27.8957523802491 3626930 CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4 1 2.922 3 4 0 -15.8920921528763 3626929 CC(=O)C1=CC=C(C=C1)NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4 1 2.922 3 4 0 -16.9384165340271 3626884 CC(=O)NC(CC(=O)OCC(=O)N1CCC(CC1)C(=O)OC)C2=CC=CC=C2 1 0.534 2 6 0 -16.2733402421562 3626869 C1CCC(CC1)(C(=O)NC2CCCC2)N(CC3=CC=CO3)C(=O)C4=CC=CC=N4 1 3.676 3 3 -20.3245509452745 3626837 COC1=CC=CC(=C1)C(=O)NCCN2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.454 3 2 -2.43030270446808 3626788 CC1=C(C=C(C=C1)NC(=S)N(CCN2CCCCC2)CC3=CC=CO3)C 1 5.841 3 1 -8.75440696472015 3626769 C1CN(CC2=CC=CC=C21)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCOCC5 1 1.269 4 5 0 -23.4813559539375 3626727 COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)[N+](=O)[O-] 1 1.569 3 8 0 -18.2944565263019 3626685 CC1=CC2=CC=CC=C2N1CCNC(=O)CC3=CC=CC=C3 1 3.366 2 1 -13.6625481342803 3626519 CC1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC(=C(C=C3)C)C 1 6.156 3 1 -10.5482254067476 3626511 CC1=C(C=C(C=C1)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CS3)C 1 5.502 4 0 -4.17347613867637 3626493 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(S3)NC4=CC=CC=C4F 1 5.33 4 2 -13.0197981945554 3626476 CCN1C(=C(C=N1)C2C3=C(CCCC3=O)NC(=C2C(=O)NC4=NC=C(C=C4)C)C)C 1 2.057 5 2 0 -36.5374126264539 3626471 CC1=CC(=C(C=C1)O)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.689 3 3 -1.12945330834957e-002 3626432 COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.385 5 4 0 -17.1679628248279 3626400 CCC1=CC=C(C=C1)C=NNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 1 5.507 2 1 -3.44276520296853 3626347 CCCCNC(=O)C1=CC2=C(S1)N=C3C(=CC=CN3C2=O)C 1 2.398 3 2 -20.5354839686641 3626272 CCC1=CC=C(C=C1)OCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 3.205 4 5 0 -5.8615108398028 3626171 CCC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C=N3)CC 1 4.234 3 0 -2.89065566894485 3626168 CC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C=N3)C(C)(C)C 1 4.361 3 0 -0.739520379835415 3626163 CC(C)NC(=O)COC1=CC2=C(C=C1)OC(CC2=O)(C)C 1 1.839 1 4 0 -18.9638855693889 3626162 CCC1=CC=CC=C1NS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.388 3 2 -4.85015074780649 3626153 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)NCC2=CC=CC=C2OC 1 -0.316 3 5 0 -16.1963280624076 3626044 CCOC(=O)COC1=C(C=C(C=C1C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)Cl)OC 1 4.918 2 5 0 -17.2460079492527 3626013 CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)OC)OC 1 3.928 2 6 0 -15.286147267579 3625828 COC1=CC=C(C=C1)CN2CCN(CC2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O 1 4.681 3 2 7.30861706592293 3625733 CCCNC1=C(C(=O)CC(C1)(C)C)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 2.53 2 4 -14.3957819519617 3625639 COC1=C(C=C(C=C1)CCNC(=O)C2=CN3C(=NC4=C(C3=O)C=CC(=C4)Cl)C=C2)OC 1 3.042 3 4 0 -16.7484758198482 3625637 C1=CC=C(C=C1)CCNC(=O)C2=CN3C(=NC4=C(C3=O)C=CC(=C4)Cl)C=C2 1 3.074 3 2 -13.0123718828929 3625623 C1=C(NC(=S)N=C1)C2=C(SC(=C2)Cl)Cl 1 3.114 2 0 -0.820318853714124 3625504 C1=COC(=C1)C2=CC(=NO2)C(=O)NC3=C(C=CC(=C3)Cl)Cl 1 4.031 2 3 -1.70750784963493 3625429 CCC(C)NC(=O)CC(C1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)C 1 3.381 2 4 -20.7466185897344 3625372 COC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)F 1 3.412 2 4 -12.4618064331187 3625336 CN(C1=CC=CC=C1)C(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.182 2 3 -6.65327328607315 3625279 COC1=CC2=C(CC(=O)NC2C3=CC=CC=C3)C=C1 1 2.422 1 2 -8.43137049956832 3625260 COC1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3 1 4.108 3 1 -4.42991459902256 3625258 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=C(NN=C3)C4=CC=C(C=C4)Cl)O 1 3.379 4 2 -2.66197321628934 3624956 CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.616 3 5 0 -27.0330517695393 3624880 C1COC(=CO1)C2=NN=C(O2)NC(=O)C3=CC=C(S3)[N+](=O)[O-] 1 0.341 4 6 0 -2.24355922022991 3624808 C1=COC(=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=C(C=C3)Cl 1 2.477 6 3 0 -0.773195236591834 3624805 C1CC2(C(CN=N2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C41 1 4.957 2 1 4.51127316728487 3624687 CC1(CC2=C(C(NC(=O)N2)C3=CC=CC=C3)C(=O)C1)C 1 1.76 2 2 0 -26.0630805797594 3624441 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)Cl 1 4.124 4 5 0 -33.7598967351402 3624387 CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CO4 1 4.7 3 3 -28.6595619282477 3624346 C1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N)C(F)(F)F 1 2.779 4 3 0 5.122360622004 3624322 CC(C(C)(C)C)NC(=S)NC1=CC(=C(C=C1)OC(F)F)Cl 1 5.825 2 1 -8.28054294655989 3624319 CC(=O)NC1C2=C(C=CC(=C2)Br)N(C1=O)CCC3=CC=CC=C3 1 2.758 2 2 -3.48549665559379 3624239 C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)Cl)O 1 0.797 2 6 0 -19.7209236751351 3624221 CC(=CC(=O)OCC(=O)NC1CCCC2=CC=CC=C12)C 1 3.226 1 3 -8.03066781305185 3624219 CC(=NNC(=S)NCCC1=CC=CC=C1)C2=CC(=CC=C2)Br 1 4.865 3 0 -8.39125957457879 3624199 CNC1=NC(=NC(=C1[N+](=O)[O-])N)NC2=CC=C(C=C2)Br 1 1.795 6 2 0 -1.99326200835793 3624177 CC(C)CCN(C1CCN(CC1)C(C)C)C(=S)NC2=CC(=CC=C2)F 1 5.671 3 0 -8.16981726685411 3624171 CC1=CC=C(C=C1)SCC(=O)NN=C2CCN(CC2)C 1 2.058 3 1 -5.30146761796604 3624169 COC1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-] 1 3.838 3 7 0 2.9211503399434 3624150 CC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC(=O)NC4=CC=CC=C4Cl)C)N 1 3.945 6 1 0 -14.1445291094754 3624109 CC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)NC3=NC=C(S3)C 1 2.313 4 3 0 -17.9904751684252 3624102 C1CNC(=O)C(N1)CC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 1.011 3 2 0 -15.6484675543429 3623980 CCCC(=O)N1CC(=O)NC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)C 1 3.396 2 2 -21.2025761057757 3623937 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NCCC2=CC=CC=N2 1 3.011 4 2 -18.0004616119783 3623922 CCN1C2=C(C(=O)N(C(=N2)SCC(=O)N(CC)CC)C3=CC=CC=C3)SC1=S 1 4.632 4 2 -22.8871952149294 3623876 COC1=CC(=C(C=C1)OC)CNC(=O)C2CCN(CC2)S(=O)(=O)C 1 0.601 2 5 0 -18.3411057545126 3623875 COC1=CC(=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C)OC 1 0.601 2 5 0 -18.3271678668872 3623814 CC1=C(C(=C2C=C(C=CC2=N1)Br)C(=O)O)C(=O)C 1 2.416 1 3 -0.128124924508496 3623771 CC(CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)NC(=O)C 1 3.738 2 1 -8.23779586882986 3623770 CN(C)CCNC(=O)C1CCCNC1=O 1 -0.592 3 2 0 -19.2851613082194 3623739 CC(C)CC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)[N+](=O)[O-] 1 2.072 4 5 0 -11.0937436744351 3623677 CC(=NNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)[N+](=O)[O-])C3=CC=NC=C3 1 2.66 5 4 0 -7.24179884083689 3623640 C1CCC(C1)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 2.498 2 6 0 -25.1508367110924 3623635 CC1=CC(=NC=C1)NC(C2=CC=CC=N2)C3=C(NC4=CC=CC=C43)C 1 3.846 4 0 -1.07979065078428 3623574 CN1C(=O)CC(C1=O)SC(=NCC2=CC=C(C=C2)OC)NC3=CC=CC=C3 1 3.098 3 3 -3.74191062926262 3623521 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NN=C(S3)C)CC4=CC(=O)NC(=O)N4 1 1.111 8 4 0 -30.5159202309049 3623433 CC1=CC(=C(C=C1)NNC(=S)NC2=CC=C(C=C2)C(C)C)C 1 6.206 3 0 -3.17366944838403 3623422 CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NC(C)C3=CC=CC=C3 1 3.46 3 4 0 -22.1385195397037 3623371 CC1=C(C(CC(=O)N1)C=NOCC2=CC=C(C=C2)Cl)C#N 1 1.613 3 2 0 -7.63090134467228 3623368 CC1=CC(=C(C=C1)C)NC(=S)N(C)CCC2=CC=CC=N2 1 4.916 3 0 -7.92655500959136 3623360 C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(S2)NC(=O)C3=C(C=CC=C3F)F 1 3.226 4 2 -26.0739983583918 3623353 C1CC2=CC=CC=C2N(C1)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.864 3 3 0 -18.5590846398522 3623129 C1CCCC(=NNC(=O)C2=CC3=CC=CC=C3C=C2O)CC1 1 3.53 2 2 -2.89712456204464 3623031 CC1=C(C(=O)C=CN1CC2=CC=C(C=C2)F)OCC3=CC=CC=C3 1 3.459 1 2 -1.32280567129249 3623029 C1CS(=O)(=O)CCN1C(CCO)C2=CC(=CC=C2)C(F)(F)F 1 1.814 1 3 0 -4.69648973947644 3623028 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)OC(C)C 1 1.967 2 4 0 -19.567466443683 3622835 COC1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)C3=CC=CC=C3 1 2.576 3 2 -6.24196474478656 3622808 CC(C)CN(CC(C)C)C(=O)C12CCC(C1(C)C)(C(=O)O2)C 1 3.541 1 3 -11.9700876108637 3622793 CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCCN(C)C 1 1.424 3 3 0 -5.21390476161809 3622788 CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4O3 1 3.324 3 2 -9.94065025441258 3622783 CCOC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC=C(C=C2)C 1 3.087 2 3 -15.2256608972123 3622726 CN(C)C1=NC(=C(C(=N1)NCC2CCCO2)[N+](=O)[O-])N 1 3.5e-002 6 3 0 -7.36533160974419 3622707 CC1=NC2=C(C(=N1)SCC3=CC(=CC=C3)F)OC4=CC=CC=C42 1 4.808 2 1 0.625492534896589 3622650 CC1=C(C(=NC(=C1[N+](=O)[O-])C)NCCC2=CC=CC=C2)C#N 1 3.001 4 2 -2.14599288098074 3622626 C1CN(C(C2=CC=CC=C21)CC#N)C(=O)NC3=CC(=CC=C3)Cl 1 3.482 3 1 -9.45811508914935 3622625 C1CC(=O)N(C1C(=O)NC2=CC=CC=C2Br)CC3=CC=CC=C3Cl 1 3.603 2 2 -9.21682498765483 3622596 CC(CN(C1=CC=CC=C1O)C(=O)N)C(=O)O 1 0.896 2 4 0 -6.76633574411652 3622574 COC1=C(C2=C(C=C1)C(OC2=O)CC(=NNC(=O)N)C3=CC=CC=C3)OC 1 2.158 3 5 0 -15.545725060859 3622553 CC(C)(CCl)C(=O)NC1=NC(=NC=C1)C2=CC=NC=C2 1 1.84 4 1 0 -1.18188016915486 3622552 CN(C)C1=NN(C(=N1)N(C)C)S(=O)(=O)C2=CC=C(C=C2)Br 1 1.842 5 2 0 -4.39257440187677 3622381 CN1C(=C(C(=N1)C(F)(F)F)C#N)N2CCN(CC2)C3=CC(=CC=C3)OC 1 3.629 5 1 2.13830030926299 3622373 COC1=CC=C(C=C1)N2C(=O)CCC2(C#N)C3=CC=C(C=C3)Br 1 3.556 2 2 -2.73378850979485 3622226 CC1=CC(=CC=C1)NNC(=S)N 1 2.239 3 0 0.78633821457601 3622177 CC1=CC(=C(C=C1)N=C(C2=NON=C2N)NOC(=O)C3=CC=CC=C3)C 1 3.167 5 3 0 -6.11456658655626 3622146 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C4=CN=CC=C4 1 3.094 3 4 0 -13.275178938222 3622128 C1CC(OC1)CNC(=O)C(=O)NN=CC2=C(C=CC=C2Cl)F 1 1.601 3 3 0 -16.2757906601453 3622080 CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC=CC=N3)N4CCN(CC4)C 1 2.934 4 1 -11.287805176372 3621945 COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 2.983 3 6 0 -27.4830496636115 3621941 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=CC=C4 1 2.663 4 4 0 -15.2294939771549 3621933 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)N3C(CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C 1 3.184 6 4 0 -17.1146183359642 3621931 C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CSC2=NC(=O)C=C(N2)N)Cl 1 1.43 5 4 0 -16.4082209364611 3621760 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)OCC 1 2.124 2 5 0 -15.4273192185239 3621641 CC(=NNC(=S)N)CC(=O)NC1=CC=C(C=C1)NC(=O)C 1 0.192 5 2 0 -8.88498887185087 3621608 COC1=CC=C(C=C1)C2CC(=CC(=O)C2C(=O)OC)NC3=C(C=C(C=C3)F)F 1 3.756 1 4 -4.58908753179764 3621567 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CC=C(C=C3)Br 1 3.415 2 4 -19.9059279336408 3621555 C1=CC=C(C(=C1)CSCC2=CC=C(O2)C(=O)O)Cl 1 3.729 0 3 -6.97170973047158 3621508 C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=C(C=C4)OC(F)F 1 4.018 1 4 -1.89135877655519 3621550 CC1=CC=C(C=C1)CSCC2=CC=C(O2)C(=O)O 1 3.551 0 3 -6.27592314954018 3621538 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CC3CC2C=C3 1 1.945 2 3 0 -10.1168694965905 3621465 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC=C(C=C4)F 1 5.303 2 1 -14.2091997107396 3621451 CCOC(=O)CCSCC(=O)NC1=NN=C(S1)C 1 0.47 3 3 0 -20.8370662612841 3621441 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)N=CN(C)C 1 3.333 2 2 -0.680201440150734 3621360 C1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S 1 2.573 3 2 -13.0497892273609 3621358 COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)C3=CC=NC=C3)C4=CC=C(C=C4)Br 1 3.981 3 3 -10.0806795517514 3621326 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=C(S3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5 1 4.832 3 4 0 -17.058106296122 3621256 CCOC1=C(C=CC(=C1)C=O)OC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C 1 2.71 4 5 0 -20.8421671052766 3621208 COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=N)N(C=N4)CCN5CCOCC5)OC 1 2.616 4 5 0 -9.14782105086867 3621166 CCCN1CN(CNC1=S)CCC2=CC=CC=C2 1 3.892 3 0 -4.10997715343426 3621158 C1CCN(CC1)CC2=CC=C(O2)C(=O)NN 1 0.804 3 2 0 -1.59852883323141 3621152 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=NN3 1 1.8 5 3 0 -25.910127182116 3621148 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)C(=O)O 1 3.829 5 5 0 -25.1927451670296 3621087 CC1=CSC2=NC=C(C(=O)N12)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.082 3 2 -6.67826621391381 3620970 CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3CC 1 4.226 5 2 0 -15.4003564827386 3620900 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl)C 1 4.44 2 5 0 -13.9161417036938 3620866 CN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N 1 0.615 3 1 0 -3.3408620255583 3620865 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3CC3)OCC 1 3.296 2 3 -10.809915449497 3620862 C1=CC=C(C=C1)OC(=O)N2C3=CC=CC=C3OC2=S 1 4.449 1 3 5.43512294941033 3620861 COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3CC3)OC 1 2.599 2 3 -9.91680017744992 3620721 CC1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NC3CCCCC3 1 3.67 3 2 -11.6008056016947 3620700 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2N)C(F)(F)F 1 -9.3e-002 5 3 0 -23.9887584323836 3620613 C1=CC(=CC=C1CNC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl)Cl 1 3.119 4 3 0 -6.66105819900986 3620543 CC(C(=O)N1CCOCC1)OC2=CC=CC=C2Cl 1 1.915 1 3 0 -12.4786449029274 3620497 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.067 3 4 0 -14.8279312190814 3620492 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 2.089 5 6 0 -20.5792585907807 3620478 CCOC(=O)C1CCN(CC1)C(=O)C(=O)N2CCC(CC2)C(=O)OCC 1 0.492 2 6 0 -9.53855985203446 3620389 CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)N3CCN(CC3)C4=NC=CC=N4 1 2.521 5 2 0 5.85372467869473 3620360 CCOC1=C(C(=O)C1=O)NC2CCN(CC2)C(=O)OCC 1 -0.146 2 5 0 -5.80046496329307 3620356 CN(CC(=O)NC1=NNC(=S)S1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.036 5 3 0 -16.990403414669 3620352 CN1C2=C(N=C1C3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-])N(C(=O)NC2=O)CC5=CC=CC=C5 1 4.285 5 6 0 1.37557941331476 3620344 CC1=C(C(NC(=O)N1)C2=CC(=CC(=C2OC(C)C)Br)Br)C(=O)NCC3=CC=CC=C3 1 4.207 3 3 -27.1936158503047 3620291 CC1(C(CCC1(C)C(=O)O)C(=O)NC2=CC=C(C=C2)OC(F)(F)Cl)C 1 5.086 1 4 -1.63808359741901 3620264 CC1=NN(C(=O)N1C2=CC=C(C=C2)Cl)CC#N 1 1.593 4 1 0 -4.28707113729871 3620079 CC1=C(C=CC=C1OCC2=CC=CC=C2)OCC3=CC=CC=C3 1 5.45 0 2 0.719728370667145 3620004 CN(C)CC1=NN=NN1C2=CC(=CC=C2)N3C(=NN=N3)CN(C)C 1 0.137 10 0 0 -7.07525955547735 3619949 CN1CCOCCOCCN(C(=O)N2CCOCCN(C1=O)CCOCCOCC2)C 1 -1.636 4 7 0 -5.5060152338289 3619774 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC(C)C3=CC=CC=C3 1 2.897 3 3 -20.3921393245284 3619596 C1CSC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.907 3 4 0 -28.082150052698 3619557 CC(C)C1=CC=C(C=C1)NC2=NN=C(CS2)C3=CC=CS3 1 4.871 3 0 -2.90317495474988 3619449 CC1=CC=C(C=C1)NC2=NC(=C(S2)C=O)Cl 1 3.15 2 1 1.98561733068935 3619312 CCC1=C(N=C(S1)NC(=O)CCC(=O)O)C2=CC3=CC=CC=C3OC2=O 1 2.582 2 5 0 -9.56447116715414 3619234 C1CCC(C1)(CNC(=O)C(=O)NCC2(CCCC2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.804 2 2 -15.1196308188977 3619222 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.087 3 5 0 -20.1234849824766 3619220 CC1=CC=C(C=C1)OC(C)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)NC3=C(C=C(C=C3)C)C 1 5.366 2 4 -13.2334803460507 3619198 CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4 1 1.787 3 5 0 -6.82597111795245 3619114 CN1C2=CC=CC=C2N=C1C3=C(N(CC3=O)NC(=O)C4=CC(=C(C=C4)OC)OC)N 1 1.523 5 4 0 -12.2372868912543 3619029 COC1=CC=CC=C1CNC2=NC3=CC=CC=C3CS2 1 3.732 2 1 -7.18930893339733 3619026 CC(=O)C1=CN(C(=O)NC1=O)C2=CC=C(C=C2)Cl 1 1.125 2 3 0 -6.79796555751344 3619015 CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=[N+]3[O-] 1 4.243 2 2 -10.1888649853365 3618972 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)Cl 1 5.565 3 3 -19.854824968351 3618933 CN(C1CCCCC1)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 3.083 2 5 0 -13.4373902228836 3618917 CCN(C1=CC(=C(C=C1)C)C)S(=O)(=O)C2=C(NC(=O)NC2=O)C 1 1.221 3 4 0 -17.1111135226429 3618848 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 2.819 2 5 0 -10.3934931658888 3618818 CC1CC(CN(C1)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)C 1 3.713 2 3 -8.76340538551661 3618799 C1CCC(C1)N2CC(CC2=O)C(=O)NCC3=CC=CC=N3 1 0.783 3 2 0 -17.6687166003071 3618796 COC1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=N3 1 3.568 4 2 -11.817669776117 3618784 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 4.604 1 3 -9.02356473787282 3618736 CCOC1=CC=C(C=C1)NC2=NC(=O)SC2CC(=O)OC 1 2.305 2 4 -9.56351994253692 3618661 CC1CCC(C(C1)OC(=O)CSC2=NC(=O)C=C(N2)N)C(C)C 1 3.079 3 3 -10.5748396377182 3618615 CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4)[N+](=O)[O-] 1 3.4 5 3 0 -13.8424991661771 3618589 COCCCNC(=O)CC(C1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.24 2 5 0 -19.9986912102441 3618585 COC1=CC=C(C=C1)C(CC(=O)NCC(OC)OC)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.247 2 6 0 -19.9609877634143 3618561 CC(CC1=CC=CO1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C 1 1.546 2 4 0 -17.8791732824732 3618546 COC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N5CCCCC5)C=CC=C4C2=O 1 4.41 2 3 -1.96351374849655 3618532 C1CS(=O)(=O)CC1NC(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3 1 3.502 3 3 -20.000212069045 3618531 CC(C)C(=O)NN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2 1 3.119 2 2 -15.401561125874 3618479 CC(=O)NC1=CC(=CC=C1)NC(=O)NC2=CC=CC3=CC=CC=C32 1 2.551 3 2 -7.72068120046894 3618401 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.159 3 6 0 -21.529215634447 3618391 CC(C)CNC1=NC(=C(C(=N1)NC2=CC=CC=C2OC)[N+](=O)[O-])N 1 2.222 6 3 0 -3.27922646861418 3618239 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)SC)OC 1 2.954 2 4 -14.0275515471873 3618235 CC1=CC(=C(C=C1NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Cl)OC)[N+](=O)[O-] 1 2.41 3 7 0 -17.2282282245975 3618231 C1=CC(=CN=C1)CNC(=O)C2=CC(=CN2)C(=O)CC3=CC=C(C=C3)Cl 1 2.959 3 2 -5.71263173477707 3618221 C1=CC=C(C=C1)C(C(C(F)(F)F)(F)F)OP(=O)(O)OC2=CC=CC=C2 1 4.483 0 4 -3.48484641382994 3618220 CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.306 3 5 0 -6.02667313751551 3618154 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)N)CN3C=C(C=N3)[N+](=O)[O-] 1 2.048 6 4 0 -14.1383591278981 3618150 CCOC1=C(C=C(C=C1)C=NNC(=O)CC2=CC=CC=C2)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 3.002 4 3 0 -9.55190955058118 3618148 CCOC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=C(C(=C2)O)O)O)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 2.241 4 6 0 -4.56985678231178 3618145 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=C(C(=C2)O)O)O)CN3C=C(C=N3)[N+](=O)[O-] 1 2.068 5 7 0 -10.5650386252841 3618143 CCOC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2O)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 2.726 4 4 0 -4.96143885315911 3618128 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC(=CC=C3)F)C4=CC=C(C=C4)OC 1 3.876 4 5 0 -14.5943726337662 3618116 CCN(C1CCS(=O)(=O)C1)C(=O)CN2C3=CC=CC=C3OC2=O 1 0.668 2 5 0 -16.0161484108931 3618107 CCC(C1=NN=C(O1)SCC(=O)NC23CC4CC(C2)CC(C4)C3)N(C)C 1 2.765 4 2 -17.5117531852424 3618105 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)F)C3=CC(=CC=C3)Br 1 2.666 3 3 -4.8263748496416 3618017 COC1=CC(=C(C=C1)C2C3=C(C(=O)N2C4=CC=CC=C4)NCCN=C3C5=CC=CC=C5)OC 1 3.781 3 3 -13.7001895741222 3618007 CCOC(=O)CN1C=C(C(C2=CC=CC=C21)C[N+](=O)[O-])C3=NC4=CC=CC=C4C=C3 1 4.029 3 4 0 -4.95569463871016 3617976 C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Cl)C(=O)C3=CC=CO3 1 2.394 1 4 -9.75914491738853 3617975 CCN1CCCC1CN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)OC 1 2.502 4 2 -6.45345132247027 3617931 CCOC1=CC=C(C=C1)NC(=S)NN2C(CCCC2C)C 1 4.159 3 1 -6.79560956973444 3617929 CC(C)CNC(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O 1 -1.333 3 5 0 -13.4392660093304 3617928 C1=CC=C(C(=C1)C=NNC2=CC=CC=N2)Br 1 3.585 3 0 4.37958536700891 3617885 CC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NC4CCCCC4 1 4.362 2 2 -1.30434634828654 3617877 CC1=CC(=CC2=C1N=C(S2)NC(=O)C3=CC=CO3)Cl 1 3.786 2 2 2.19566258073253 3617862 CCOC1=C(C=C(C=C1)C=NNC(=O)C(C)OC2=C(C=C(C=C2)Cl)C)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 4.438 4 4 0 -7.0452607900623 3617858 CCOC1=C(C=C(C=C1)C=NNC(=O)COC2=C(C=C(C=C2)Cl)C)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 3.953 4 4 0 -4.70885355781234 3617845 CC1=C(N=C(S1)C2=CC=NC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.505 2 2 6.4802406324973 3617832 CCC(C)N1C(=NC2=NC3=CC=CC=C3N=C21)C4=CC=CO4 1 3.98 4 1 -1.93685832961447 3617826 COCCNC(=O)C12CC3CC(C1)CC(C3)(C2)Cl 1 1.786 1 2 0 -9.59446519332936 3617792 CC1=CC=C(C=C1)NC(=S)NN=C2CC(OC3=C2C=C(C=C3)O)(C)C 1 4.811 3 2 -10.7759620774779 3617790 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CNS(=O)(=O)C3=CC=C(S3)Br 1 2.196 3 3 -6.09553182354415 3617678 CC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CC4 1 2.4 2 3 -23.9290935633704 3617640 CC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C 1 2.612 3 3 -12.1541059395342 3617623 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4 1 3.711 5 3 0 -19.4341482078904 3617583 CC1=CC=C(C=C1)CCNC(=O)C2=CN3C(=NC4=C(C3=O)C=C(C=C4)Cl)C=C2 1 3.561 3 2 -10.4892843433459 3617573 C1=CC(=CC=C1CCNC(=O)C2=CN3C(=NC4=C(C3=O)C=C(C=C4)Cl)C=C2)S(=O)(=O)N 1 1.78 4 4 0 -16.1596803771858 3617561 C1CCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl 1 2.846 2 2 -5.6616763688752 3617555 COC1=CC(=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CS4)OC 1 4.38 3 2 1.12304897531481 3617553 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3 1 2.705 4 5 0 -11.3319094107618 3617550 CC(=NNC(=O)C1=CC=C(C=C1)OC)CC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.881 3 3 -4.08532780752648 3617500 CC1=C(C=C(C=C1)N2C(=O)C3CCCN3C2=S)C 1 3.82 2 1 -1.66090033710709 3617496 C1CCCC(CC1)NC(=O)CCN2C3=CC=CC=C3OC2=S 1 4.687 2 2 -9.05144770987207 3617495 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)N(C)CCC#N)C 1 2.976 3 4 0 -13.0545219620887 3617299 CC1=CC=C(C=C1)CNC(=O)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl 1 3.695 3 2 -7.70130375401479 3617298 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Cl 1 3.666 4 2 -3.17951777883331e-002 3617297 CN(C)CCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl 1 1.764 4 2 0 -5.56809190047873 3617295 C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Cl 1 3.461 4 2 -1.00497539839582 3617290 CCOC(=O)CN1C(=O)N(C(=N1)C)C2=CC=C(C=C2)C(C)C 1 2.448 3 3 -8.59009096984149 3617289 CC1=NN(C(=O)N1C2=CC=C(C=C2)C(C)C)CC#N 1 2.122 4 1 -5.8256101312339 3617270 CC1=CC(=C(C(=C1)C)OCC(CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3)O)C 1 5.087 1 5 -12.7191014520001 3617259 CC1=NN(C(=O)C1C(=O)C(=O)NC2=CC=C(C=C2)F)C3=CC=CC=C3 1 1.965 3 3 0 -7.5127861517733e-002 3617248 CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)CN3C(=O)C4CCCCC4C3=O 1 2.036 2 7 0 -16.8995149839876 3617232 CCCN1C2=C(N=C1C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)CC4=CC=CC=C4 1 3.969 5 4 0 -4.68270235253626 3617229 C1CC(C2CCC(C1C2)OC(=O)NC3=CC=CC=C3)OC(=O)NC4=CC=CC=C4 1 4.889 2 4 -3.7690323260724 3617223 C1=CC=C(C=C1)CCNC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.325 2 2 -13.7448394294753 3617222 C1=CC=C(C=C1)CNC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.004 2 2 -14.4697569896799 3617220 C1CCC(C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.822 2 2 0 -11.0068458353594 3617218 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=O)NC4=CC=CC=C43 1 1.772 2 4 0 -15.181783025113 3617214 CC1CCCCC1NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.598 2 2 -13.8794157864031 3617076 CC(C1=NC2=CC=CC=C2N1)NC(=O)CC3=CC=CC=C3 1 2.849 3 1 -6.47204552230432 3616903 CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CS3)C(=O)OCC(C)C 1 4.166 1 3 -15.7821385874571 3616869 C1=CC=NC(=C1)CC(=O)C2=CC=C(C=C2)F 1 2.752 1 1 -2.83630554503306 3616797 CCOC1=CC=CC=C1CNC(=O)CNC(=O)C2=CC=CS2 1 1.967 2 3 0 -17.6954907221126 3616792 CC1=C(SC=C1)C=NNC(=O)C2=CN=C(C=C2)C 1 2.255 3 1 -7.88485815448185 3616739 C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NC4=CC=CC=C4 1 3.182 3 3 -13.5488011386162 3616735 CN(C1=CC=CC=C1)C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4 1 3.388 3 3 -12.8732899010137 3616727 C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NCC4=CC=CO4 1 2.371 3 4 0 -19.119229871729 3616700 CC1(CC1(Cl)Cl)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC 1 3.854 2 4 -6.45016573455867 3616687 C1=CC=C(C(=C1)COC(=O)CCC(=O)C2=CC=CS2)C#N 1 3.056 1 3 -14.0555593177424 3616684 CC1=CN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.562 3 4 0 -21.3960351170408 3616626 COC1=CC=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)Cl)O)C(=O)OC 1 1.493 2 5 0 -1.70186013158521e-002 3616611 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC4=CC=C(C=C4)C#N 1 0.983 4 6 0 -22.083534287543 3616605 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC=CN3C 1 0.735 5 2 0 -19.7339213107964 3616560 CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32)S(=O)(=O)N4CCOCC4 1 2.396 4 4 0 -20.785134556579 3616514 CCC(C)OC1C(C(C(C(O1)CO)O)O)NC(=O)C 1 -1.124 1 6 0 -20.8702516528051 3616502 CCC(C)NC(=O)C1=CC=C(O1)CSCC2=CC=C(C=C2)Cl 1 4.557 1 2 -12.3101975340837 3616496 CSC1=CC=C(C=C1)C=NNC(=O)CNC2=CC3=CC=CC=C3C=C2 1 3.794 3 1 -3.33260985912403 3616474 CC1CCC(=NNC(=O)CC2=CC=CC=C2)CC1 1 2.695 2 1 -10.0652309412993 3616382 CCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3N(C(=O)CS3)CCC4=CC=CC=C4 1 5.294 2 2 -14.2456656263716 3616367 CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=C(NC(=O)NC2=O)C 1 0.735 3 4 0 -16.5882848911786 3616283 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4COC5=CC=CC=C5O4 1 1.815 3 6 0 -16.6744355849933 3616270 CC(C1=NC2=CC=CC=C2N1CC(=O)NC3=C(C=C(C=C3)F)Cl)O 1 3.13 3 2 -7.55445670123768 3616243 CC1CCC2=C(C1)SC=C2C(=O)NC3=NC=CS3 1 2.908 2 1 -8.8754086510201 3616172 CCCCC(C(=O)O)NC(=O)CC1=C(C2=C(C(=C3C(=C2)C(=CO3)C4=CC=CC=C4)C)OC1=O)C 1 5.259 1 6 0 -12.8790418605018 3616167 CC1CCC(CC1)NC(=O)C2CNC3=C(O2)C=CC(=C3)C 1 3.232 2 2 -10.9965087557851 3616163 C1C(C2=CC=CC=C2NC1=O)CCC(=O)NCC3=CN=CC=C3 1 1.173 3 2 0 -22.6038299370137 3616161 C1=CC=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)Cl)C(=O)O 1 3.237 1 3 -6.77394755610106 3616038 CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=CC=CC=[N+]2[O-] 1 2.595 3 4 0 -7.97662547916215 3616017 CC1=CC(=C(C=C1NC(=O)CSC2=NC(=C(C(=N2)C)C)C)OC)[N+](=O)[O-] 1 3.166 4 4 0 -13.7285846785391 3615873 COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC3=CC(=C(C=C3)Cl)C(=O)O)OC 1 5.142 2 6 0 -10.0017713288245 3615765 CC(C(=O)NCCC1=CCCCC1)SC2=NN=C(O2)C3=CC=CO3 1 3.479 3 3 -13.5654320599527 3615606 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=S)NCC3CCCO3)C)C 1 4.081 3 3 -25.6284337434782 3615552 CC1=CC(=C(C=C1)NC2C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O)C 1 4.312 2 4 -9.11365222822468 3615482 CC1=CC=C(C=C1)CCNC(=O)C2=CN3C(=NC4=CC=CC=C4C3=O)C=C2 1 2.896 3 2 -15.2126363041811 3615477 C1=CC=C(C(=C1)CCNC(=O)C2=CN3C(=NC4=CC=CC=C4C3=O)C=C2)Cl 1 3.074 3 2 -17.4824544601164 3615460 CC(=O)C1=CC=C(C=C1)OCC(CN2C(CC(CC2(C)C)O)(C)C)O 1 1.779 1 4 0 -7.1029316087144 3615459 CCCCOC(=O)CSCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F 1 4.427 2 3 -11.2578637999091 3615457 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCCCOC)C(=C2)C 1 3.503 5 1 -10.1747647980259 3615452 C=CCNC(=O)C1CCC(CC1)CNC2=NC(=S)NC3=CC=CC=C32 1 3.765 4 1 -18.2337299233715 3615290 CC1=CC(=C(C=C1NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4)OC)[N+](=O)[O-] 1 5.212 4 4 0 -14.533202237933 3615288 C1CN(CCC1=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl)CC4=CC=CC=C4 1 3.914 4 3 0 -9.35465394874755 3615173 CCC1=CC=CC(=C1NC(=O)CON=C(C)C2=CC3=CC=CC=C3O2)C 1 4.336 2 3 -3.02447092644847 3615142 CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(N=CC=C3)Cl 1 3.418 2 2 2.53096465184254 3615037 C1CCC(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 3.956 2 1 -8.55849314790484 3615004 COCCNC(=S)NN=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC)OC 1 3.506 3 5 0 -18.4202313696442 3614866 CC(C1=CC=C(C=C1)CCBr)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O 1 5.876 0 2 6.25872728958936 3614842 CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)OC)C3=CC=CC=C3 1 3.435 4 2 3.82906140207579 3614765 C1CN(CCN1C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3 1 0.654 3 7 0 -13.1101781432446 3614719 CN1C(=O)C(=C(N=C1SCC2=CC=CC=C2)N)N=O 1 1.974 4 2 0 -10.2629795968281 3614640 CC1=CC2=C(N1)C=CC=C2OCC(CNC3CCCCC3)O 1 3.203 2 2 -4.44450805465598 3614543 CCOC(=O)CNC=C(C(=O)C)C(=O)C 1 -0.739 1 4 0 -6.06948141615228 3614513 CC1=CC=CC(=C1)C(=O)NC2=C(C(=NO2)C)C#N 1 1.84 3 2 0 -9.547005843875 3614495 CC1=NN(C(=C1CCNC(=O)CCl)OC2=CC=CC=C2)C 1 2.428 3 2 -7.1082468068409 3614444 CCOC1=C(C=CC=N1)C(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 2.353 3 5 0 -21.6282217719075 3614423 CN(CCO)C1=NC=CN=C1 1 -0.93 3 1 0 -0.766337868637862 3614411 C1=CC(=CC=C1C=O)OC2=NC=CN=C2 1 1.387 2 2 0 -3.11829684263606 3614365 C1CCCN(CC1)C2=CC3=CC(=C(C#N)C#N)CCC3CC2 1 3.786 3 0 -1.70277284242957 3614254 CC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(S2)C(=O)CC(C)C 1 3.71 3 3 -10.1117922674006 3614211 C1=CC=C(C=C1)NC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N 1 0.508 6 3 0 -0.147109862202215 3614168 CSCCC(C(=O)O)NC(=O)COC1=CC=CC2=CC=CC=C21 1 2.074 1 4 -16.8652792258267 3614070 C1=CC(=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)N)N)N 1 0.692 3 2 0 -6.8199182157044 3614066 CC1=NC2=C(C=NN2C(=C1)N3CCOCC3)C4=CC=CC=C4 1 2.293 4 1 -4.99307702429493 3614063 CC(C1CC2CCC1C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.068 3 5 0 -9.8150278906967 3614029 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)OC(F)(F)F 1 3.851 2 4 -8.69194850681898 3613987 CC1=CC=C(C=C1)OCC2=CN3C=CC=NC3=N2 1 2.454 3 1 -1.64467697586502 3613917 CCC(C)N(C1=NC(=NC(=N1)NCC)Cl)NC(=O)C 1 1.489 6 1 0 -6.70784465034828 3613859 C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=C(C=C3)F)C(=O)O 1 2.304 1 3 -9.84212865655744 3613858 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C(=O)O 1 3.322 3 3 -3.24679791203312 3613856 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)F 1 2.53 1 3 -10.9305031826451 3613789 C1COCCN1C(=O)NC2=CC3=C(C=C2)OCCO3 1 0.625 2 4 0 -10.8468549056351 3613715 C1=CN(C=N1)OCCCCC(=O)O 1 -1.695 2 3 0 -7.17647816547563 3613709 C1CCN(C1)C2=CC(=C(C=C2Cl)[N+](=O)[O-])N 1 2.265 3 2 0.722920126561131 3613486 C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NCC4=CC=CC=C4 1 3.68 1 1 -9.86485954289773 3613414 CC1=NC(=NC2=C1CCC2)N3C(=C(N=N3)CO)CO 1 0.762 5 2 0 -3.27493499157941 3613357 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=NC=C4 1 1.716 5 4 0 -14.7022457028437 3613354 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(O3)C4=CC=NC=C4 1 0.465 5 4 0 -11.6724835706394 3613267 CC1=CC=C(C=C1)CSC2=NCCN2C(=O)C 1 2.713 2 1 -10.4190058091421 3613213 C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)Cl 1 4.403 1 3 -2.48794198904244 3613161 CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(C)C)C 1 4.85 2 4 -6.45578597242393 3613120 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C3N2C=CC=C3 1 2.7 4 2 -15.2037652506 3613097 C1C(SC2=CC=CC=C2N=C1C3=CC=CO3)C4=CC=CC=C4F 1 5.095 1 1 0.31016427429447 3613031 CCCCC(=O)NCCC1=CC2=C(C=CC(=C2NC1=O)C)C 1 3.212 2 2 -18.1034270704929 3613025 CC1(CC2=C(C(C(=C(O2)N)[N+](=O)[O-])C3=CC=C(C=C3)F)C(=O)C1)C 1 2.351 2 4 -13.5878273191841 3612918 C1=CC(=CC(=C1)F)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO 1 0.582 6 4 0 2.09786070816928 3612852 CC1CN=C(S1)NC2=CC=CC(=C2)C(=O)C 1 2.348 2 1 -9.77861314041314 3612837 COC1=CC=C(C=C1)CCNC(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O 1 2.206 3 4 0 -10.2080868196269 3612823 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=NC5CS(=O)(=O)CC5S4 1 3.898 4 3 0 -5.96448107152876 3612505 C1CC(=O)N(C1C(=O)NCCC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)F 1 3.388 2 2 -9.89987114507086 3612504 COC(CNC(=O)C1CC(=O)N(C1)CCC2=CC=CC=C2)OC 1 0.575 2 4 0 -18.9782483036284 3612503 CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)NCC(OC)OC 1 1.061 2 4 0 -18.1634333988488 3612501 CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.164 3 2 -8.5729688854155 3612465 C1CCC(CC1)C(=O)OCC(=O)NCCC2=CC=CC=C2 1 3.111 1 3 -11.175680673707 3612347 COC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)S(=O)(=O)N5CCOCC5 1 2.931 3 6 0 -19.0106927746188 3612337 CC1=C(C=CC=C1Cl)NC(=S)N(CC2=CC=CO2)C(C)C3=CC=CC=N3 1 6.096 3 1 -4.76010849581627 3612336 C1=CC=C(C=C1)C(=O)C2=C(C(=C3N2C=CC=C3)C#N)N 1 2.49 3 1 -7.56162234161885 3612190 CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C 1 2.575 2 5 0 -24.881197094547 3612161 CC(=NNC(=O)C1=CC=C(C=C1)OC)CC(=O)NC2=CC3=C(C=C2)OCO3 1 1.707 3 5 0 -11.4077099624131 3612090 C1=CC=C(C(=C1)C2=CC=C(O2)C=NNC3=CC=C(C=C3)C(=O)O)Cl 1 4.948 2 3 3.66942182276266 3612025 CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O)C(=O)N 1 2.198 3 4 0 -19.4218102290017 3612019 C1=CC2=C(C=C1NC(=O)C3=CC=C(S3)Cl)C(=O)NC2=O 1 1.853 2 3 0 -3.75409330433598 3612016 C1CCC2=C(C(C1)C(=O)N)NC3=C2C=C(C=C3)Cl 1 3.605 2 1 -2.00527913058409 3611998 CC(C)CNC1=NC(=C(C(=N1)NCC2CCCO2)[N+](=O)[O-])N 1 1.021 6 3 0 -8.11668477050707 3611967 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC)OC1=O 1 2.297 4 6 0 -14.4350555747215 3611837 C1=CC(=CC=C1COCC(F)(F)F)C(=O)NN 1 1.151 2 2 0 -6.79012387865961 3611811 C1=CC=C(C(=C1)CS(=O)(=O)CC(COC2=CC=CC=C2Cl)O)Cl 1 3.813 0 4 -6.20324394734393 3611789 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42 1 4.711 4 3 0 -17.3925216081586 3611764 CC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N 1 1.577 4 4 0 -2.77256226982112 3611703 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)C)OC 1 1.68 5 4 0 -10.3964735429012 3611702 C1C(=O)N(C(=S)S1)NC(=O)COC2=C(C=CC=C2Cl)Cl 1 3.147 2 3 -9.17795226633238 3611697 CC1=NC(=NC=C1)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.858 3 4 0 -10.5375747953843 3611696 CCOC(=O)C(=CNC1=NC(=CS1)C2=CC3=CC=CC=C3C=C2)C(=O)OCC 1 3.387 2 4 7.59667055020093 3611675 CN1C2=CC=CC=C2C(=C1Cl)C=NOC(=O)C3CC3 1 3.196 2 2 -2.60577215840926 3611672 C1CN(C2(N1C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl)C(=O)CCl 1 3.173 2 2 -4.49513174476369 3611574 CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)NC2CCCCC2C 1 3.782 2 3 -19.1910086487683 3611532 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CC2=CC=CC3=CC=CC=C32 1 1.75 1 5 0 -17.0326730960232 3611516 C1C(SC(=NC1=O)NNC(=O)C2=CC=C(C=C2)F)C(=O)O 1 1.209 3 4 0 -8.84475056657261 3611486 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CO4 1 1.41 4 6 0 -19.6149112206158 3611474 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OC(C)C(=O)NCC4CCC(CC4)C(=O)O 1 4.765 1 6 0 -14.0323660389623 3611470 C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)F)S(=O)(=O)NC4=CC=CC=C4Cl 1 4.503 4 3 0 -2.54933821766463 3611418 COC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)OC)O)C(=O)C5=CC=CO5 1 3.95 2 6 0 -15.8042515348978 3611383 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)CN5CCOCC5 1 3.982 3 3 -9.91898873575528 3611381 CC(=NNC1=NC(=O)CC(S1)C(=O)NC2=CC=C(C=C2)C(=O)O)CCC3=CC4=C(C=C3)OCO4 1 2.83 4 6 0 -10.7961954038037 3611303 CCOC(=O)C1CCCN(C1)C(=O)CSC2=CC=C(C=C2)Br 1 3.197 1 3 -10.1268945947362 3611294 C1=CC(=CN=C1)CNC(=O)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl 1 2.058 4 2 -10.2241931544241 3611046 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=C(C)C3=CC4=CC=CC=C4C=C3 1 3.17 8 2 0 -20.7007426438817 3610968 C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C(=O)O 1 1.935 2 5 0 -2.30616261392172 3610941 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NN=CC3=CC=C(C=C3)N(C)C 1 3.457 6 0 -1.02127699509749 3610835 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)NC4=CC=CC=C4 1 4.471 3 1 2.21091214020674 3610829 COC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=N2)C3=CC(=CC=C3)NS(=O)(=O)C)C4=CC=CO4 1 2.302 3 6 0 -11.1456047582161 3610818 C1=CC2=NC(=CN2C=C1Cl)CSC3=NN=C(N3N)C4=CC=NC=C4 1 1.763 7 0 0 -5.71476468890635 3610817 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC=C(C=C2)C#N 1 1.272 2 4 0 -16.5901803108624 3610813 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5 1 4.383 3 3 -18.9522901729461 3610804 CC1=CC=C(C=C1)S(=O)(=O)NCCC2(CCOC(C2)(C)C)C(C)C 1 3.532 1 3 -9.41949744911457 3610738 COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)N3C(CSC3C(=O)OC)C(=O)OC 1 1.599 3 6 0 -5.02487236003138 3610705 C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4Cl)F)F 1 4.181 4 3 0 -3.03121761370333 3610683 C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OCC(=O)NN 1 1.862 2 3 0 -5.53643632616428 3610679 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.23 5 2 0 -13.4087829106739 3610662 C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CS5 1 5.61 2 1 -14.6163969784193 3610631 CCC1=C(C(=CC=C1)CC)C(C2=CN=CC=C2)O 1 3.571 1 1 -5.72910608773101 3610558 CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)CC3=CC=CC=C3 1 3.708 2 3 -22.4743923877538 3610556 CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)C3COC4=CC=CC=C4O3 1 3.447 2 5 0 -19.2367787766065 3610533 CC1(CC2=C(CO1)C=C3C4=C(C(=NC=N4)SCC(=O)N5CCCC5)SC3=N2)C 1 3 4 2 -23.7100153950597 3610456 C1CCN(CC1)C2=C(C=C(C=C2)C=NOC(=O)C3=C(C=CC=C3F)F)[N+](=O)[O-] 1 4.528 3 4 0 -2.07685036847823 3610454 COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)F)OC 1 2.09 4 5 0 -8.28801902797679 3610353 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC(=C2)OC)OC 1 1.42 2 5 0 -8.09701665820083 3610339 CC1CN(CC(O1)C)CC(=O)NC2=CC=CC=C2SC 1 1.941 2 2 0 -15.0049147117505 3610319 CCCCCCNC1=NC(=NC(=N1)N2CC3CC(C2)C4=CC=CC(=O)N4C3)OC 1 2.49 6 2 0 -8.01374788509684 3610181 CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br 1 4.634 2 2 -4.05771909205763 3610131 CCC1=CC=C(C=C1)N2C(=O)C3CCCN3C2=S 1 3.79 2 1 -2.01511792861674 3610004 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)NN=CC2=CC=CS2 1 1.867 4 4 0 -12.240092621297 3610002 C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=CC=CC6=CC=CC=C65 1 3.767 5 3 0 -5.000295142084 3609966 CC1=CC(=NC2=NC(=CN12)CSC3=NC4=CC=CC=C4S3)C 1 3.716 4 0 -2.52698007419441 3609942 COC(=O)C1CN(N(C12C3=CC=CC=C3C4=CC=CC=C24)C5=CC=C(C=C5)Cl)C#N 1 4.745 3 2 -0.524817941482774 3609939 C1CCCCCC2=NC3=CC=CC=C3C(=N)N2CCCCC1 1 4.994 3 0 -7.19194610176024 3609910 CCOC(=O)CCCNC(=O)CCNC(=O)C1=CC=C(C=C1)OCC(C)C 1 2.146 2 5 0 -28.3336223257318 3609825 CCC(=O)N1CCN=C1SCC2=CC=CC=C2 1 2.894 2 1 -13.0112637907685 3609782 COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)C3=CC=C(C=C3)Br 1 5.048 2 2 -1.28856091045276 3609780 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC(C)C 1 3.691 5 2 0 -29.7195111527216 3609764 CC1=C(C=NC2=CC3=C(C=C12)OCO3)C(=O)C4=C(C=C(C=C4)Cl)Cl 1 5.003 1 3 4.00839637332818 3609627 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(ON=C2C)C 1 1.754 2 3 0 -8.1645566041117 3609577 CC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)C3=CC=C(C=C3)F)Cl 1 4.435 3 1 1.59548880048836 3609598 CC12CCCCC1C3(C=CC(=O)C=C3)C(=N2)SC 1 3.012 1 1 3.9143685660675 3609499 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=C(C=C4)F 1 2.248 3 4 0 -18.3294636333406 3609518 CCNC(=O)NC(=O)C(C)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F 1 1.152 3 6 0 -21.4292254920851 3609423 CC1CC2=CC=CC=C2N1CC(=O)NC(=O)NC3CCCCC3 1 3.142 3 2 -10.7655309426219 3609293 CC1=CC=CC(=C1)C(=O)OCCC2=C(NC(=NC2=O)SC)C 1 3.174 2 3 -12.5109606221415 3609290 COC(=O)C1CSC(N1C(=O)NC2=CC=CC=C2)C(=O)OC 1 1.552 2 5 0 -8.07741229505613 3609289 C=CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=CC=CC=C3 1 2.862 3 2 -4.95134805563353 3609232 C1COC(=O)C1OC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F 1 2.102 1 6 0 -10.5259272271977 3609191 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1 3.793 4 6 0 -11.7643077881346 3609169 CC(=NN=C(N)N)C1=CC(=CC=C1)Cl 1 1.508 4 0 0 4.03399874090075 3609153 CCCCC(CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O 1 2.977 2 5 0 -11.5152642227317 3608992 COC(=O)CCSC1=C2C(=CC(=C1)[N+](=O)[O-])N(N=C2C3OCCS3)C4=CC=CC=C4 1 4.517 3 5 0 -11.7050067973201 3608980 C1CCN(CC1)C2=CC=C(C=C2)C(=O)CCN3CCOCC3 1 2.591 2 2 -0.518005171928921 3608972 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4CCCO4)C 1 4.502 2 2 -10.3654693688964 3608970 C1=CC=C(C=C1)C(=NNC(=O)C2=CC=CC=C2Br)CCC(=O)O 1 3.257 2 3 -9.63929165322791 3608938 CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CN4CCN(CC4)CC5=CC=CC=C5)O 1 3.503 5 2 0 -2.94806771772821 3608905 CC(C1=C(C=CC(=C1)Cl)O)NC2=CC=C(C=C2)Cl 1 4.686 1 1 3.35991781198502 3608903 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)C)C 1 4.006 1 6 0 -9.31355809520767 3608891 C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)F)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl 1 3.593 4 5 0 -7.95461592554175 3608807 COC1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C=C2)N3CCOCC3 1 0.919 3 4 0 -3.34903157292105 3608796 CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CC=C4 1 3.696 8 2 0 -23.1850078276088 3608586 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 1.963 4 5 0 -21.4178747694036 3608528 CCOC(=O)N1CCC(=NNC(=O)CN2C=CC(=N2)C(F)(F)F)CC1 1 1.302 5 3 0 -13.1493429532645 3608518 CC(C)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NNC(=O)C3=CC=CC=C3Cl 1 3.1 3 3 -8.7598443016775 3608452 C1CCN(C1)C2=NC(=C(C(=C2F)OC3=CC=C(C=C3)[N+](=O)[O-])F)F 1 3.674 3 3 3.50182101564948 3608371 CC1=C(C=NN1C)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4C#N)N)C#N 1 2.282 6 1 0 -16.073519803024 3608314 COCCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2 1 1.601 6 3 0 -3.05227953803133 3608307 CCOC(=O)CC(=NNC(=O)CNC1=C(C(=CC=C1)Cl)C)C 1 2.185 3 3 -9.34740071391641 3608276 CC(=O)NC1C(=C(C(=O)N1C2=CC(=CC=C2)OC)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4 1 4.346 3 3 -3.40254650926963 3608256 CC1=C(SC=C1)C2=NC(=NC=C2)N3C=CC=C3 1 3.835 3 0 -0.997929036856349 3608254 CNC1=C(C=NN1C2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 2.548 4 2 -1.44918920243409 3608147 CC1=CC(=CC=C1)OCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.749 4 5 0 -4.67006781910656 3608113 CC1=CC2=C(C=C1)OCC(=O)N2CCC(=O)NC3CCCCC3 1 2.478 2 3 -11.8031183957672 3608051 CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)O)OC)C(=O)C3=CC=CC=C3 1 3.643 2 3 -21.7896656277933 3608047 CC1=CC(=C(C=C1)O)C(=O)C2=COC(=N)C(=C2)C(=O)NC(C)C 1 1.881 2 4 0 -7.50048179516114 3608043 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2)Cl 1 2.184 2 5 0 -10.9288324991447 3608020 C1COCCN1C2=NSN=C2OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 1.015 5 5 0 -8.72735047615575 3607904 CC1=CC2=C(S1)N=C(N(C2=O)NC(=O)C3=CC=C(O3)COC4=C(C=CC(=C4)Cl)Cl)C 1 4.169 3 4 0 -8.83397313854262 3607808 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCCC(C3)C(=O)OCC)Br 1 2.574 2 5 0 -21.5509429265576 3607782 COC1=CC=C(C=C1)C=NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCC4 1 3.39 7 1 0 -2.37684965160452 3607724 C1=CC=C(C=C1)COC2=CC(=O)NC=C2 1 0.947 1 2 0 -4.66486503250384 3607666 C1C2C(CS1(=O)=O)SC(=N2)NC3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4 1 2.817 3 3 -14.0850385579126 3607474 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N3C(=NC=N3)S2 1 1.353 4 3 0 -10.5555422335862 3607452 CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NN=C(S3)C 1 3.824 3 3 -28.9470973104655 3607411 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=C(N=C(S3)N4CCOCC4)C5=CC=CC=C5 1 2.726 5 4 0 -15.8383131234448 3607355 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(S3)Cl 1 1.367 2 5 0 -10.3618869862532 3607313 C1CN(C(=N1)SCC2=CC=C(C=C2)F)C(=O)COC3=CC=CC=C3 1 3.932 2 2 -10.6652465296824 3607298 CC1(CC2=CC(=C(C=C2C(=N1)CC#N)OC)OC)C 1 2.514 2 2 -6.78299539634672 3607295 CC1=CC=C(C=C1)C(=NNC(=O)CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C 1 3.739 3 2 -17.839039460589 3607195 COC(=O)C(C1=CC2=CC=CC=C2C=C1)NC(=O)C3=CC=CC=C3C(=O)O 1 3.002 1 5 -12.0472297624087 3607178 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC(=CC(=C2)OC)OC)OCC 1 3.281 1 7 0 -20.0703206036415 3607167 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 3.22 1 6 0 -9.08829547219587 3607045 CCN1CCN(CC1)C(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Cl 1 3.254 2 3 -3.6806683706211 3607003 CC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N 1 0.994 6 3 0 9.54427617113315e-003 3606911 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3)F 1 2.292 2 4 -13.0644968945505 3606869 CC(C(=O)N1CCC2=CC=CC=C21)SC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5 1 3.526 4 3 0 -23.3810351864062 3606846 C1CC(CCC1NC(=S)NCCC2=CC=CC=C2)NC(=S)NCCC3=CC=CC=C3 1 6.104 4 0 -10.3378337006299 3606845 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)C 1 1.641 4 6 0 -19.5701531510742 3606829 CC1=CC(=C(N1CCOC)C)C2=NN=C(SC2)NC3=CC=CC=C3F 1 3.389 4 1 -9.81124492100645 3606824 CC1=CC(=CC=C1)NC(=O)COC(=O)CNC(=O)C2CCCCC2 1 2.329 2 4 -9.72795011904696 3606819 CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=CC(=NN3)C4=CC=C(C=C4)OC)[N+](=O)[O-] 1 4.282 4 4 0 0.567331529738536 3606757 CC1(C2(CCC1(C(C2=O)Br)C(=O)NC3=C(C=CC(=C3)Cl)Cl)C)C 1 4.606 1 2 -4.06886916224401 3606735 COCCNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3 1 -0.883 3 6 0 -32.7382806705232 3606715 C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-] 1 4.003 4 4 0 -0.551936105384265 3606713 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C 1 2.868 2 4 -12.059202459198 3606616 CCOC1=CC=CC=C1CNC(=O)CCCC2=CN(C3=CC=CC=C32)C 1 4.4 2 2 -15.4470809026238 3606622 CC(C1CC2CCC1C2)NC(=O)C3=CC=C(C=C3)OC 1 3.263 1 2 -7.70651158866257 3606604 CC(C(=O)N)OC(=O)C(CCSC)NC(=O)C1=CC=CC=C1OC 1 0.878 2 5 0 -20.2752834817878 3606598 CC1(C(SC(=S)N1C)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C 1 5.091 3 3 -2.33740245967482 3606573 CC1CC(C(=O)O1)CC(C)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.225 3 5 0 -18.0216479418021 3606572 CC1CC(C(=O)O1)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.762 3 5 0 -17.790251265932 3606561 CC1=CC2=C(C=C1)OC(CN2)C(=O)NCC3=CC=CC=C3 1 2.705 2 2 -9.68527435156885 3606560 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CC=CC=C3C(=O)O 1 3.267 1 3 -7.90008063821353 3606549 CC(CCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O 1 3.406 1 3 -10.1147402629021 3606537 CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4CCC=CC4 1 3.606 8 2 0 -22.5437316391209 3606528 CC1=C(C=CC(=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NC4=CC(=C(C=C4)OC)OC)C)N)Cl 1 3.912 6 3 0 -15.3971378360815 3606526 CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC(=C(C=C4)Cl)C)N)C 1 4.986 6 1 0 -13.1724979125811 3606512 CCCCNC(=S)NN=CC1=C(C=CS1)C 1 3.999 3 0 -9.60506029001099 3606489 CC1=C(C(=CC=C1)NC(=S)NC(=O)CCC2=CC=CC=C2)C 1 5.229 2 1 -8.1334689199288 3606278 C1C(C2=CC=CC=C2NC1=O)CCC(=O)NCC3=CC=C(C=C3)F 1 2.529 2 2 -19.2716692846144 3606260 CC1=C(C(=CC=C1)NC(=S)NCC(C2=CN=CC=C2)N(C)C)C 1 4.085 4 0 -7.05106712323608 3606219 CC1=NN(C=C1C2NC3=CC=CC=C3C(=O)N2O)C 1 1.393 4 2 0 -4.11467840616925 3606210 CCOC(=O)C(C)SC1=NC=C(C=N1)C2=CC=CC=C2 1 3.172 2 2 -3.68197269934594 3606104 CC1C(CCC2=C1C3=CC=CC=C3N2)C(=O)O 1 2.943 1 2 -3.16791683258968 3605989 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)C3=CNC(=C3)C(=O)NCCCOC 1 3.634 3 4 0 -14.9476779294329 3605870 CC(=NNC1=NC2=CC=CC=C2N1)C3=CC4=C(C=C3)OCO4 1 2.617 4 2 4.56760861660615e-002 3605725 CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3C(=O)O)C 1 3.721 2 5 0 -6.87719715178115 3605635 CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)NN=C3C(=O)OCC4=CC=CC=C4 1 2.698 3 4 0 -8.88911246061622 3605573 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)Br)F 1 4.611 2 3 -13.1624262418876 3605535 C1=CC=C(C=C1)CCC(=O)NNC(=O)CCC2=CC=CC=C2 1 2.853 2 2 -8.78234206991253 3605533 CC1=CC=CC(=C1)C(=O)NC(=S)NC(C)C2=CC=CC=C2 1 4.358 2 1 -9.71840450822837 3605435 CC(C)CCCNC1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3 1 1.341 6 2 0 -6.445499540689 3605388 CC(C)C1=NC(=C(C=C1)CNC(=O)CC(C)C2=CC=CC=C2)SC 1 4.706 2 1 -12.5739452685344 3605281 CCC1=C(NC(=NC1=O)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C 1 2.765 4 2 -14.2344318745487 3605280 CCC1=C(NC(=NC1=O)SCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C 1 2.749 4 3 0 -16.1670928030247 3605184 C1=CC=C2C(=C1)C=CC=C2OCC(CNCCC3=CC=C(C=C3)C(F)(F)F)O 1 4.661 1 2 3.76969960854488 3605183 CC1=NC(=C(C=C1)OCC(=O)C2=CC=C(S2)Cl)[N+](=O)[O-] 1 3.047 2 4 -2.00861270102635 3605182 CC(C)(CN1CCN(CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.667 3 2 -2.96236998715389 3605146 CC1=CC(=C(C=C1)S(=O)(=O)NCC2=CN3C=CC=CC3=N2)C 1 2.252 3 2 -6.19148729725778 3605123 CC1=C(C=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CS2)C 1 2.342 2 3 -10.6384713129506 3605116 CC1(CC2=C(C(=O)C1)C(C(=O)N2C3=CC=C(C=C3)F)(C(F)(F)F)NC(=O)C4=CC=CC=C4)C 1 3.97 2 3 -13.5685603322062 3605090 CC1=C(SC=C1)C2C(=C(N(C3=C2C(=O)CCC3)N(C)C)N)C#N 1 1.477 4 1 0 -17.5849708044558 3605088 CC1=CC(=C(C=C1)OCC(=O)OCC(=O)C2=C(N(C(=C2)C)CC3CCCO3)C)OC 1 3.195 1 6 0 -23.5454561098539 3605061 C1C(OC2=CC=CC=C2O1)C(=O)NC3=NC4=CC=CC=C4S3 1 3.013 2 3 -0.530972459410612 3605020 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CN3C(=O)C4(CCCC5=CC=CC=C54)NC3=O 1 3.326 3 4 0 -7.79372313154347 3605016 C1=CC=C(C=C1)NC(=O)OCCNC(=O)C2=CC(=CC=C2)Br 1 3.198 2 3 -8.48105577105674 3605015 C1=CC(=CC(=C1)Br)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O 1 4.322 0 3 -1.5222696988838 3604942 CC(C)(C(COC1=C(C=C2C=CC(=O)OC2=C1)OC)O)O 1 1.399 0 6 0 -9.64206977829924 3604887 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 1.924 2 7 0 -22.1145264496877 3604857 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4)CCOC 1 1.621 3 5 0 -23.3241330965041 3604853 CC1CC(C(=O)O1)CCC(=NNC2=NC(=CS2)C3=CC=CC=C3)C 1 3.017 3 2 -1.59915615671584 3604841 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.058 2 5 0 -3.74770739648666 3604840 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)NC3=C(N=CC=C3)Cl 1 3.013 3 3 -1.37499409552793 3604833 CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC=C 1 2.024 3 5 0 -24.3548681703649 3604831 CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCCCOC 1 1.338 3 6 0 -24.0952823332545 3604830 CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCCOC 1 1.276 3 6 0 -23.4616701574008 3604804 CNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3 1 2.402 5 1 -12.655430802154 3604585 C1=CC=C(C=C1)CN(CCO)C(=O)C2=NC3=CC=CC=C3C=C2 1 2.902 2 2 -6.95645900256704 3604536 CCN1C(=C2C=CC=CC2=NC1=O)NC(=O)C3=CC=C(C=C3)F 1 2.727 3 2 -5.98115754769794 3604524 CC(C(=O)NCC1CCCO1)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br 1 1.087 2 4 0 -17.8714164699003 3604523 COC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC(=CC=C2)Cl 1 3.218 1 3 -3.11531289624681 3604482 CN1C(=O)C2=C(C1=O)C(=CC=C2)NC(=O)C3CCCCC3 1 2.109 2 3 -3.88135582719782 3604468 C1CN(CCN1CC2=C3C=CC=NC3=C(C=C2)O)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.096 3 3 -5.19953890658546 3604345 CC1=NC(=C(NC(C1)C2=CC=C(C=C2)Cl)C#N)C#N 1 1.59 4 0 0 -0.328480938593494 3604340 COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=NC3=CC=CC=C3S2 1 2.392 5 4 0 -3.10761553520763 3604297 C1=CC2=C(C=CC(=C2N=C1)OCC3=CN=C(S3)Cl)Cl 1 3.657 2 1 -0.20305432204765 3604296 CCOC(=O)CN1C2=C(C=C(C=C2)F)SC1=NC(=O)CSC(=O)C 1 2.675 2 4 -8.46147099618914 3604283 CCN1CCN(CC1)CCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4 1 2.355 4 3 0 -4.08399706207016 3604219 CCC(C(=O)NC1=NN=C(S1)C(C)C)SCC(=O)OC 1 2.01 3 3 -17.4269451886046 3604211 C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)CNC(=O)C2=CC=NC=C2 1 0.486 5 4 0 -15.5006464503689 3604137 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=NN(C=C2Br)C 1 1.603 4 2 0 -1.31831917709116 3604093 CC1=CC=C(C=C1)CN2C3=C(C=C(C2=N)C(=O)NC4CCCC4)C(=O)N5C=CC=CC5=N3 1 2.725 5 2 0 -17.7124711147028 3603971 CC1=CC(=CC=C1)CSCC2=CC=C(O2)C(=O)NC(C)C 1 3.856 1 2 -13.0906902199259 3603967 CC1=CC(=CC=C1)CSCC2=CC=C(O2)C(=O)NC3CCCC3 1 4.531 1 2 -8.52598375642801 3603918 CC1(CC1(Cl)Cl)C(=O)NCCC2=CC=C(C=C2)F 1 2.896 1 1 -4.66537709219671 3603822 CCCCN1C2=C(C=C(C=C2)Br)C(C1=O)(C3=CC=CC=C3)O 1 3.996 1 2 -0.490600738772606 3603821 C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NCC3=CC(=CC=C3)F 1 2.666 2 4 -7.03751122823203 3603820 C1=CC=C2C(=C1)N=NN(S2(=O)=O)CC3=CC(=C(C=C3)Cl)Cl 1 4.447 3 2 -5.16503004522337 3603800 CC(C)C(CCN(CC1=CC=C(C=C1)OC(C)C)C(=O)C)C2=CC=CO2 1 4.378 1 3 -8.48627669774812 3603796 C1C(CC(=O)C(=CNC2=CC(=CC=C2)Cl)C1=O)C3=CC=CC=C3 1 3.514 1 2 -6.08233503142766 3603747 CC1=CC(=CC=C1)CSCC2=CC=C(O2)C(=O)NCC3CCCO3 1 3.488 1 3 -14.0770567503283 3603715 C1CC(=S)N(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3 1 5.116 2 0 1.17479831946945 3603671 CN(C1=NC2=CC=CC=C2N=C1)N=CC3=CN=CC=C3 1 1.87 5 0 0 1.75695934897174 3603655 CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3F)N4CCN(C4=N2)CC5=CC=CO5 1 2.356 5 3 0 -9.34119621510241 3603626 C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)CC4=NNC(=S)O4 1 5.197 3 1 1.18288006216999 3603536 C1C2CN(CC1C3=CC=CC(=O)N3C2)C4=C(C=C(C=C4)C(=O)O)NS(=O)(=O)C5=CC=CC(=C5)C(F)(F)F 1 2.93 3 5 0 -5.77998320426557 3603432 CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)N)S(=O)(=O)N3CCOCC3 1 0.162 5 5 0 -29.0655895357549 3603394 C1=CC(=C(C(=C1)Cl)CON=CCC(=O)C2=CC=C(C=C2)Cl)Cl 1 5.085 1 2 -2.10790166294824 3603393 C1=CSC2=C1C(=O)NC(=S)N2 1 1.722 2 1 0 -6.15043908164771 3603377 CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)O)C4=CC=C(C=C4)F)SC2=S)C 1 6.651 3 3 -15.0842855359942 3603333 CCOCCCNC(=O)C1CCN(CC1)S(=O)(=O)N2CCCC2 1 -0.618 3 4 0 -20.839075092599 3603326 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C(=O)C3C(C2=O)ONC3(C(=O)OC)C(=O)OC 1 0.933 4 7 0 0.461414822944791 3603231 CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)NCC3CCCCC3 1 5.465 4 3 0 -8.95474091012771 3603222 C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)SCC(CO)O)[N+](=O)[O-])N3C=NN=N3 1 0.887 6 5 0 -21.297247152011 3603171 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=C(C=C(C=N3)Cl)Cl 1 3.605 4 4 0 -6.67047459424289 3603166 CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NCC2=CC(=CC=C2)OC 1 4.474 1 2 -4.91625078112047 3603162 CC(C1=CC=CC=C1)NC(=O)COC(=O)CCC2=CC=CC=C2 1 3.197 1 3 -15.0956570586868 3603157 CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.08 4 4 0 -21.8059256167537 3603146 CNC1=C(N=C(O1)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 3.432 2 3 -5.45310046592533 3602968 C1C2=CN=C(N=C2C3=C(S1)C=CC(=C3)Cl)N 1 2.732 3 0 4.42450175228582 3602967 CC(=O)C1CC1C2=CC=C(C=C2)OC 1 1.921 0 2 0 -4.23486092410041 3602941 C1=CC=C2C(=C1)N=C3N2C=C(C=N3)C(=O)C4=C(C=CC(=C4)F)O 1 3.318 3 2 3.01433189989731 3602856 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)CC(C)(C)C 1 2.195 3 4 0 -19.4932615368426 3602847 COC1=CC(=C(C=C1)NC(=O)NC2=CC(=CC=C2)F)OC 1 2.695 2 3 -6.22073265480644 3602823 CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)OC)CCOC 1 2.266 2 4 -7.42999574486512 3602790 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=CC(=C(C=C4)F)F 1 3.366 4 3 0 -15.4006585489297 3602652 CC1=CC(=C(C(=C1)C)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3)C 1 3.351 2 2 -9.79235006331885 3602651 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.261 2 3 -17.6455933589733 3602579 CC1=NC(=CC(=N1)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 1 2.557 5 3 0 -3.82737712013864 3602577 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NC2CCCCC2 1 4.671 3 2 -19.9318092502531 3602524 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=CC=CC=C3C(=O)O 1 3.152 2 6 0 -15.836602228433 3602332 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCC(=O)C3=CC=C(S3)Cl 1 2.254 1 5 -7.38747973807521 3602278 CC1=C(N=CC=C1)NC(=O)C2=CC=CO2 1 1.884 2 2 0 -3.10123529463844 3602258 CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)OCC)S(=O)(=O)C 1 2.373 3 5 0 -26.011754178479 3602062 CC1CCCC(C1C)NC(=O)COC(=O)CNC(=O)C2=CC=C(S2)C 1 2.333 2 4 -17.4961530494131 3601894 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC 1 3.815 3 6 0 -17.3936389954042 3601838 C1COCCN1CCCN2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC(=CC=C5)O 1 2.004 2 5 0 -10.4764067752649 3601836 CCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2C4=NC=C(C=C4)C)OC5=CC=CC=C5C3=O)OC 1 4.125 2 5 0 -12.76815663574 3601782 C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)S(=O)(=O)NC5=CC=C(C=C5)C(=O)O 1 3.157 2 9 0 -6.95352943557726 3601780 CCCN1C2=CC=CC=C2N=C1C=NNC3=NC4=CC=CC=C4N3 1 3.869 6 0 6.02638367459444 3601722 CC1(CCS(=O)(=O)C1)NC(=O)C2CCCCC2 1 1.212 1 3 0 -8.3538797525944 3601698 CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCN(C)C 1 5.042 5 0 -9.99199558272711 3601679 C1CN(CCC12OCCO2)C3=NC=NC4=C3NC5=C4C=C(C=C5)Cl 1 2.783 4 2 5.48624731103839 3601675 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=NC=C4)[N+](=O)[O-] 1 1.681 4 7 0 -15.7090051939052 3601669 CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 3.475 4 2 -20.3035538207497 3601490 CCC1=CC=C(C=C1)NC2=NC=C3C(=N2)CC(CC3=O)C4=CC=C(C=C4)OC 1 4.223 3 2 -10.4149097548963 3601489 CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CN=CC=C4 1 2.502 9 3 0 -27.1282770996256 3601473 C1CCN(C(C1)C2=CN=CC=C2)C(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5 1 3.724 5 1 -4.94851085479957 3601439 CCCN1C2=C(N=C1C3=CC=C(C=C3)C(=O)OC)N(C(=O)NC2=O)CC4=CC=CC=C4 1 3.93 4 4 0 -5.76061442902259 3601413 C1CCN(CC1)C(=O)CCN2C3=CC=CC=C3OC2=S 1 3.496 2 2 -8.23003567471099 3601331 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCC3COC4=CC=CC=C4O3)S(=O)(=O)N5CCOCC5 1 0.216 4 7 0 -30.6110403720262 3601327 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)S(=O)(=O)N5CCOCC5 1 0.793 5 5 0 -22.4358007747555 3601317 C1=C(SC(=C1)[N+](=O)[O-])C(=NO)N 1 0.871 3 3 0 3.43415947936754 3601294 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC(C3=CC=CC=C3)C4=CC=CC=C4 1 4.961 3 3 -29.3896767545061 3601285 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2)OC4=C(C=C(C=C4)Cl)Cl 1 4.754 4 4 0 -7.63580562492643 3601262 CC(=NNC(=O)C1=C(C=CC(=C1)Cl)O)C2=CC=C(S2)Br 1 3.607 2 2 0.67857036079358 3601182 CC1CN(CC(O1)C)CC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C 1 3.185 2 2 -9.76942722737918 3601082 CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)NCC3CCC(CC3)C(=O)O 1 5.102 1 6 0 -21.3136482936056 3601020 COC1=CC=CC=C1C2CC(=NN2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.102 2 3 -10.3148774470127 3600945 CC1=NC2=C(C=CC=C2OC)C3=C1CCN3C4=CC=C(C=C4)OC 1 4.096 2 2 -2.43976311839991 3600919 C1=CC=C2C(=C1)C=CC=C2COC3=CC=C(C=C3)C=NNC4=NC=C(C=C4)[N+](=O)[O-] 1 4.569 4 3 0 5.31485205399742e-002 3600899 C1=CC(=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Br)Br 1 3.327 6 2 0 -23.6566788721032 3600895 CC1=CC2=C(C=C1)NC(=O)C(=N2)NC(=S)N 1 1.239 4 1 0 -8.49573858176125 3600891 C1=CC=C2C(=C1)NC(=O)C(=N2)NC(=S)N 1 0.753 4 1 0 -9.61566693319239 3600889 COC1=CC=CC(=C1)C=NNC(=O)CN2C3C(NC(=O)N3)NC2=O 1 -0.511 6 4 0 -12.8747189958883 3600852 CC1=NN(C(=C1)C(=O)NCC(OC)OC)C2=CC=CC=C2 1 1.776 3 3 0 -11.1171566918436 3600815 CC1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=CC=C3F 1 4.527 2 0 -0.410578191982596 3600724 CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCCN3CCOCC3 1 0.198 3 4 0 -13.5137143528461 3600711 COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)C3=CC(=C(C=C3)OC)OC)P(=O)(OC)OC)OC 1 3.205 2 8 0 0.879546915143345 3600710 COP(=O)(C1=C(OC(=N1)C2=CC=CC3=CC=CC=C32)N4CCCCC4)OC 1 3.545 2 4 4.45582930922508 3600709 COP(=O)(C1=C(OC(=N1)C2=CC=CC3=CC=CC=C32)N4CCOCC4)OC 1 2.316 2 5 0 2.86674318651231 3600699 C1=CC=C(C=C1)CCCNS(=O)(=O)C2=CC=CC=C2 1 3.101 1 2 -7.29258411992143 3600689 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=NC=C3)CC4=CC=CC=C4 1 1.856 7 2 0 -16.0390306334036 3600684 C1CS(=O)(=O)CC1NC(=O)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)F 1 3.708 3 3 -19.0270318484375 3600645 CC1=CC(=CC=C1)NC(=O)NCC2=CC3=C(C=C2)NC(=C3)C 1 3.454 3 1 -2.08639679298925 3600644 C1CN(CCC1CC2=CC=CC=C2)C3=CC=CC=C3C(=NO)N 1 3.719 3 1 7.33349420368707 3600595 CC12C3CCC(C1COC2=O)(O3)COC(=O)OC 1 0.788 0 6 0 -2.27937407737517 3600594 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=C2CCCC2 1 3.467 2 2 -7.02917634521888 3600585 CCC(=O)NCC1=NC2=CC=CC=C2N1C(C)C 1 2.265 3 1 -8.40807867466769 3600456 CCC(C)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)NC(=O)N 1 2.054 4 5 0 -18.7982072715451 3600439 C1CC1NC2=NN=C(CS2)C3=CC4=CC=CC=C4O3 1 3.232 3 1 0.882665335783945 3600430 CCN1CCCC1CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)C 1 1.349 3 3 0 -16.4092893256215 3600418 C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CC(=O)NC4=CC=CC=C43)[N+](=O)[O-] 1 2.764 4 6 0 -18.8965688856555 3600385 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=CC=C3Cl 1 3.354 3 3 -7.23644712363384 3600304 CC1=C(C=C(C=C1)Cl)NC(=S)N(CC2=CN=CC=C2)CC3=CC=CC=C3Cl 1 6.879 3 0 -7.25318278307878 3600303 CC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=C(C=CC(=C3)Cl)C 1 6.701 3 0 -7.07164482699805 3600302 CC1=C(C=C(C=C1)Cl)NC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3 1 6.215 3 0 -7.79555736396862 3600301 CC1=C(C=C(C=C1)Cl)NC(=S)N(CC2=CC=CS2)C3CCCC3 1 6.924 2 0 -7.47538258483814 3600287 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=NC=CS3)C 1 0.963 4 2 0 -17.0111110457853 3600202 C1CCN(CC1)C(=O)C2CCCN(C2)CCCC3=CC=CC=C3 1 3.619 2 1 -0.430558608456032 3600197 CC1=C(SC=C1)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)S(=O)(=O)NC4=CC=C(C=C4)OC 1 3.375 3 5 0 -8.49035190993115 3600191 CCOC1=NC(=NC(=N1)NCCO)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.445 6 4 0 -2.61035309649468 3600177 CC1=CC(=CC=C1)NC(=S)NCC(C2=CN=CC=C2)N(C)C 1 3.598 4 0 -7.17412068128211 3600123 CC1=NC(=NC=C1)OC(C(=O)O)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)OCC4=CC=CC=C4 1 5.37 2 4 -3.75567535305641 3600113 CC(CC1=CC=CS1)NC(=O)NC2=CC=C(C=C2)Cl 1 3.559 2 1 -7.00159572350895 3600034 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC 1 1.807 4 6 0 -13.637926045503 3600013 CCCN1C2=CC=CC=C2N=C1C3CC(=O)N(C3)C4=CC=C(C=C4)C 1 4.106 3 1 -6.41143369461446 3599891 CC1=CC(=O)N=C(N1)NN=CC2=C(N(C(=C2)C)CC(F)(F)F)C 1 2.005 5 1 -12.8441959194272 3599865 CC1CN(CC(O1)C)C2=NC3=C(C=C(C=C3)C)C(=N2)C4=CC=CC=C4 1 4.327 3 1 6.11715186689186 3599810 C1=COC(=C1)C=NNC(=O)C2=CC(=CN=C2)Br 1 1.676 3 2 0 -4.7343485704953 3599808 CN(C1=NS(=O)(=O)C2=CC=CC=C21)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 0.543 4 5 0 -11.0134647578583 3599794 CC1=CC(=CC=C1)N2C(=C(NC2=S)C3=CC=CC=C3)C 1 4.835 2 0 -1.12513292250369 3599792 CCCCSC1=NC(=CC(=N1)NC(=S)NC2=CC=C(C=C2)OC)C 1 5.312 4 1 -9.96796724269128 3599783 COC1=CC=CC(=C1)CNC(=O)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=O 1 3.157 3 4 0 -15.7238332366265 3599723 CC1=C(C(=NS1)SCC2=CSC(=N2)C)C#N 1 2.462 3 0 -7.09422451517931 3599500 COC1=CC(=C(C=C1N2C=C(NC2=O)C3=CC=C(C=C3)Cl)Cl)OC 1 3.417 2 3 -3.486096039685 3599499 CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.596 3 2 -2.03339169357084 3599481 CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C)[N+](=O)[O-] 1 3.802 3 4 0 -7.42316755943352 3599479 CC1=C(C(=CC=C1)C)NC(=S)NN=C2CC3C2C=CC3 1 4.225 3 0 -4.9206723610252 3599412 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)N 1 2.673 4 3 0 -11.003280136624 3599332 C1CCN(CC1)CC(C2=CNC3=CC=CC=C32)O 1 2.603 2 1 1.37110319363966 3599260 COC(=O)CN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(S3)Cl 1 4.138 2 3 -4.88970615497443 3599094 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC=C2)F)C3=CC=C(C=C3)OC(F)F 1 2.723 3 4 0 -2.67478509789752 3599033 CC1=CC=C(C=C1)C(=O)OC2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.848 2 4 -5.67874380199419 3598954 CC(=O)N(C)CCC1=CC2=C(C(=C1C=NNC3=CC=C(C=C3)C(=O)O)OC)OCO2 1 2.484 3 6 0 -2.44578779056331 3598873 CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC(OC)OC 1 1.345 3 7 0 -24.5081169080718 3598848 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CN=CC=C3 1 2.302 4 3 0 -5.87966837935459 3598839 CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)OC)OC 1 4.572 2 4 -9.24346208844258 3598834 CC1=CC(=NC=C1)NC(C(=O)OC)(C(F)(F)F)NC(=O)C 1 1.339 3 3 0 -8.54181970297641 3598833 C1C(N(N=C1C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3)C4=CC=CO4 1 4.072 2 3 -10.2560518099635 3598826 CC1=C(C(C(=O)N1)(C(F)(F)F)NC2=NC=C(C=C2)Cl)C#N 1 1.491 4 1 0 -6.70335296448817 3598780 C1CCC2=C(CC1)SC(=C2C(=O)O)NC(=O)C3=CC=CC=C3F 1 4.075 1 3 -12.8294463725417 3598781 CC(C)(C)C(=O)N1CCC(CC1)(CS(=O)(=O)CC2=CC=CC=C2)O 1 1.596 1 4 0 -6.52099036208257 3598782 CC(CS(=O)(=O)CC1=CC=CC=C1)(C(=O)NC2=CC=CC(=C2)C(F)(F)F)O 1 2.849 1 4 -4.91649614829767 3598783 CCCCSC1=NN=C(N1C)C2=CC3=C(S2)N(N=C3C(F)(F)F)C 1 4.789 5 0 -3.96471716636756 3598803 CN(CC1=CC=CC=C1)C2=NC(=C(C(=N2)NC3=CC(=CC=C3)F)[N+](=O)[O-])N 1 3.042 6 2 0 6.16765725012765 3598790 CN1C2=C(N=C1SCC3=NC(=NC(=N3)N)N4CCCCC4)N(C(=O)N(C2=O)C)C 1 1.325 9 2 0 -13.4261054349782 3598619 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=CN=CC=C3)OC 1 2.123 3 4 0 -6.66404894474888 3598561 CCC(=C1C(=O)CCCC1=O)NC2=CC=CC=C2 1 2.603 1 2 -6.33616323528003 3598541 CC1=CC=C(C=C1)SC2=C(C(=NN2C3=CC=CC=C3)C(=O)OC)C=NO 1 4.896 3 3 2.80564443045017 3598463 COC1=CC=C(C=C1)N2C=NC3=C(C2=O)SC4=NC(=C5CCCCC5=C34)N6CCOCC6 1 4.62 4 3 0 -10.9310765107027 3598426 CC1=CC(=CC=C1)N2C(=O)C3CCCN3C2=S 1 3.334 2 1 0.108082991754731 3598420 CSC1=CC=CC(=C1)N2C(=O)C3CCCN3C2=S 1 3.389 2 1 0.556924771206709 3598383 CCCCCC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=NC=C2 1 3.806 2 2 -5.48881150919473 3598272 CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC)OC)OC 1 5.422 2 3 -16.3499927627455 3598214 CC(C(=O)OCC(=O)C1=CC=C(S1)Cl)NC(=O)C2=CC=CO2 1 2.292 1 5 -9.77344505416151 3598171 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=S)NCCN3CCOCC3)N4CCOCC4 1 2.659 5 5 0 -15.4536522206661 3598155 C=CCN1C(=O)CSC2=C1C=C(C=C2)C(=O)NCCC3=CCCCC3 1 3.536 2 2 -21.0269709418115 3598056 CC1(CC(=CC(=O)C1)NC2CCCC(C2)O)C 1 1.346 1 2 0 -14.182911315279 3598053 C1=CC=C(C(=C1)C(=O)NC2(C(=O)N(C(=O)N2)CC3=CN=CC=C3)C(F)(F)F)Cl 1 2.398 4 3 0 -6.75267313731043 3598049 CC(=NNC(=O)CNC(=O)C1=CC=CC=C1F)CC2=CC=CC=C2 1 1.954 3 2 0 -16.0212867010486 3597986 COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-] 1 2.326 3 6 0 -19.8745641756522 3597984 C1COCCN1C2=NC3=CC=CC=C3C4=NN=C(N42)C5=CC=CC=C5F 1 2.91 5 1 -1.43120413394725 3597887 CC1=CC=C(C=C1)C2=NC(=C(O2)SCC(=O)NCC3CCCO3)S(=O)(=O)C4=CC=C(C=C4)C 1 4.351 2 5 0 -18.3901253279433 3597859 C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CS4 1 2.841 1 3 -12.3669860762535 3597858 CC1C=CCC2C1C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)O 1 2.685 1 3 3.29289882598262 3597849 CCN(CC)C(=O)COC1=CC=C(C=C1)C(=NNC2=C(C=C(C=N2)Cl)Cl)C 1 4.093 4 2 -6.44239941484513 3597570 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2F)CN3CCN(CC3)C4=CC=C(C=C4)F 1 4.781 4 2 -4.20236489803387 3597527 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3CCCC3 1 1.717 4 4 0 -24.8086830593765 3597517 CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC(=CC=C3)NC(=O)C 1 1.552 3 4 0 -11.747872593209 3597495 COC1=CC(=C(C=C1)OC)C2(CSC(=NC3=CN=CC=C3)N2CC4=CC=CO4)O 1 3.24 3 4 0 -4.09454479017415e-002 3597481 CCN1C(=NN=C1SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C5=CC=CS5 1 4.53 5 1 -10.025075546116 3597469 C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(O3)CNC(=O)C4=CC=CO4 1 1.584 4 4 0 -25.6967885774613 3597458 COCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5 1 4.474 4 4 0 -16.3760177159997 3597422 CCC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CC 1 2.833 2 3 -20.4664262563908 3597408 COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=CS3)C4=CC(=CC=C4)OC)OC 1 3.518 2 5 0 -1.8682598388172 3597348 CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCC4=CC=CC=C43)Br 1 2.747 2 3 -15.9894885453905 3597280 COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 1.887 3 5 0 -24.6125656766842 3597264 CCOC(=O)C(C1=CC=CC=C1)NCCCCl 1 2.286 1 2 -8.39877238517366 3597234 CC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 1.642 2 3 0 -20.5987184725201 3597224 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C 1 1.462 3 5 0 -19.5458237961024 3597203 CN1C=C(C(=N1)C(=O)OCC(=O)C2=CC=C(C=C2)OC)Cl 1 2.667 2 4 -9.26373526796192 3597052 CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N2CC(=O)C4=CC=CC=C4 1 3.567 3 3 -6.24231893486541 3597028 COC1=C(C=CC(=C1)C=NNC(=O)C(C2=NNC(=O)C3=CC=CC=C32)NC(=O)C4=CC=CC=C4)OCC(=O)N 1 1.432 6 6 0 -27.690547388218 3596973 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)NC3=CC=CC=C3N4CCOCC4 1 3.358 4 4 0 -17.9797704077603 3596967 COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)C4=CC(=NC(=N4)N)Cl 1 4.057 6 1 0 3.57137523670421 3596956 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=NC=C5 1 4.5 5 1 -16.9895726214995 3596938 CC1=C(NC(=NC1=O)SCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C 1 2.293 4 3 0 -14.3889962135836 3596901 CC1=CC2=C(C=C1)NC(=O)C2(CC(=O)C3=CC=C(S3)C)O 1 2.219 1 3 -10.0296950679827 3596897 CCC(=NNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C 1 1.894 4 4 0 -18.0773979104265 3596763 CC1=NC(=CC=C1)NC(=O)C2=CC=CC=C2Br 1 3.034 2 1 -2.77180012344742 3596734 COC1=CC2=C(C=C1)OC(=NC3=CC=CC=C3)C(=C2)C4=NC5=CC=CC=C5N4 1 5.121 3 2 13.499983010518 3596631 C1C(C2=CC=CC=C2NC1=O)CCC(=O)NCC3=CC=CC=C3 1 2.323 2 2 -20.9667742118717 3596627 CC1=CC=CC=C1OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=CC=CC=C3C 1 3.672 2 6 0 -7.57107333645033 3596513 CC(C(C1=CC=CC=C1)C(=C)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 5.869 0 2 -6.65860543982212 3596461 CC1=CC=C(C=C1)N2C(=O)C3CCCN3C2=S 1 3.334 2 1 -1.77567979283766 3596457 C1CCC(CC1)NC(=O)CCN2C3=CC=CC=C3OC2=S 1 4.231 2 2 -9.05144770987207 3596456 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N(C)CCC#N 1 1.108 3 5 0 -13.3197717255798 3596454 CC(=NNC(=S)NCCOC)C1=CC=C(C=C1)OC 1 2.064 3 2 -13.015500465474 3596257 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)OC)CC4=CC=CC=C4 1 3.569 4 4 0 -13.1210061549572 3596188 CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)C 1 1.956 6 4 0 -15.8743352471773 3596131 CC1=CC=C(C=C1)C2=NNC(=O)C(C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 4.642 2 2 -8.35800131006754 3596081 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=NC4=CC=CC=C4N=C3N5CCOCC5 1 2.256 5 5 0 -19.0116665988478 3596078 CCOC1=CC=C(C=C1)S(=O)(=O)NN=C2CCS(=O)(=O)C3=C2C=C(C=C3)F 1 2.364 2 5 0 -2.98995594519911 3596034 CCN1CCN(CC1)C2=CC3=CC(=C(C#N)C#N)CCC3CC2 1 2.718 4 0 -0.330023349866771 3595886 CC1CCCC(N1N=CC2=CC(=C(C=C2)OC)OC)C 1 3.203 2 2 -4.89343072741571 3595866 CC(C)OC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.354 3 6 0 -5.37806833098085 3595726 C1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=C(C=C4)Cl 1 2.28 4 4 0 -7.83695175633802 3595670 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC(=O)C3=CC=C(C=C3)Cl 1 3.705 2 5 0 -6.34442816855776 3595666 CC1=C(C=C(C=C1)N2C(=CC(=C2C)C3=NN=C(SC3)NC4CC4)C)C 1 4.776 4 0 -4.66345971914033 3595548 CCN(CC)C(=O)C12C(C1(C)C(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4OC2=O 1 3.433 1 4 -7.20374096138987 3595474 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)F)N 1 1.653 2 4 0 -11.6945045088494 3595465 CC1CCCCC1NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 3.806 3 2 -17.4560884964553 3595452 CCOC1=CC=C(C=C1)NC(=S)N(CCOC)C2CCN(CC2)C(C)C 1 4.086 3 2 -9.66333000783903 3595446 CC(C)CCN(C1CCN(CC1)C(C)C)C(=O)NC2=CC=C(C=C2)Cl 1 4.234 3 1 -4.5635916010294 3595371 CC1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)OC(=O)NC 1 1.874 3 4 0 -17.9974850367681 3595370 C1CN(CCC1C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)F 1 3.558 2 1 0.431027692533114 3595270 C1C2CC3(CC1CC(C2)(C3)N4N=CN=N4)CC(=O)NN 1 0.293 6 1 0 -5.39887934506585 3595244 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC3=CC=CC=C3O 1 1.795 3 2 0 -5.8144676244493 3595200 CC1(C2CCC1(C(=O)N(C2=O)CSC(=S)NN=CC3=CC=CC=C3)C)C 1 4.341 3 2 -8.64664170327509 3595115 C1CN(CCN1C2=CC=CC=C2F)C(=O)C(=O)C3=CNC4=CC=CC=C43 1 3.258 3 2 -0.280110696160247 3595113 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CNS(=O)(=O)C3=C(C=CC(=C3)C)C 1 2.773 3 4 0 -19.3465634310417 3595072 CCOC(=O)C1=CN=C2C(=C1N3CC(CC(C3)C)C)C=CC=C2OC 1 3.922 2 3 -6.69862758078877 3595012 CCCCC(=O)OCC1=CN(N=N1)C2=CC=C(C=C2)Cl 1 3.822 3 2 -5.58099505003736 3594987 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CN(C)C3=CC=CC=C3)C4=CC(=CC=C4)O 1 2.569 9 3 0 -22.7384715399496 3594857 C1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=C(C=CC(=C3)F)F)[N+](=O)[O-] 1 3.576 2 5 0 -9.44133356684128 3594856 C1CCN(C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=C(C=CC(=C3)F)F)[N+](=O)[O-] 1 3.119 2 5 0 -9.0868650526732 3594855 CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=C(C=CC(=C3)F)F)[N+](=O)[O-] 1 3.827 2 5 0 -12.1304431707457 3594854 CC1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCCCC3)[N+](=O)[O-] 1 3.651 2 5 0 -13.7669130736433 3594853 CCN(CC)C(=O)C1=CC(=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C)[N+](=O)[O-] 1 3.431 2 5 0 -16.5169702979463 3594849 CC1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-] 1 3.752 4 5 0 -10.6086334340708 3594845 CC1=CC=CC=C1CS(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-] 1 2.421 2 6 0 -12.414359450973 3594734 C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=CS3)Cl 1 3.671 2 1 -1.20796738989529 3594657 CC(=NNC(=O)CN(C1=CC=CC=C1Br)S(=O)(=O)C)C2=CC3=C(C=C2)OCCO3 1 2.166 3 5 0 -18.0398707244021 3594650 CC1=CN2C(=NC(=C2CN3CCOCC3)C4=CC=CC=C4)C=C1 1 2.98 3 1 -0.501845331079878 3594585 COC1=CC=CC(=C1)N2C(=NN=C2SCC3=CC(=CC=C3)C(F)(F)F)CC4=CC(=O)NC(=O)N4 1 3.917 5 3 0 -16.0464043449914 3594531 CCN1C(=C2C=CC=CC2=NC1=O)NC(=O)C3=CC=C(C=C3)C 1 3.008 3 2 -6.6930345731632 3594496 CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.529 3 2 -7.5853698478851 3594495 CC1=CC=C(C=C1)SCC(C)CNC(=O)NC2=C(C=C(C=C2)OC)OC 1 4.101 2 3 -9.75630171969085 3594478 CC(=NNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2)C3=CC(=CC=C3)NC(=O)C 1 2.058 4 4 0 -12.5643855883282 3594455 CC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Cl)SC=C2 1 3.229 2 1 -10.2670052425343 3594411 CCCCNC(=S)NNC(=O)C1=CSC(=C1CC)C 1 3.498 3 1 -13.3351386935841 3594343 CC1(CC2(CC(C3=CC(=C(C=C3O2)O)Cl)C4=CC=CC=C4F)NC(=S)N1)C 1 5.308 2 2 -2.19264752812248 3594322 CC1C(C(=O)N(C1=O)C2=NC=CC(=C2)Cl)CC3=CC=C(C=C3)C 1 3.942 2 2 1.43599450802017 3594294 CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2 1 1.859 1 5 0 -15.8116151189745 3594288 CC1=CC=CC(=C1)C2=NC(=C(O2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4 1 3.754 2 4 -5.47137941704568 3594285 C1CCN(CC1)S(=O)(=O)C2=CC=CC3=CC(=C(C=C32)O)C(=O)O 1 2.16 1 5 -10.2773962927899 3594272 C1=CC=C(C=C1)N(CC(COC2=CC=CC=C2)O)S(=O)(=O)C3=CC=CC=C3 1 3.645 1 4 -9.76805377954344 3594228 CN(C)C1=C(C=C(C=C1)C=NNC(=S)N)[N+](=O)[O-] 1 1.856 5 2 0 -6.21854226011287 3594133 CC(C)[NH+]1CCC2(CC1)C(=C(NC(=C2C#N)[S-])N)C#N 1 -0.371 5 0 0 -5.62157381987991 3594117 CNC(=S)NC1=C(C2=C(S1)CCC2)C(=O)OC 1 3.081 2 2 -19.7818695469803 3594061 CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.324 7 2 0 -7.1405846708038 3594017 C1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3 1 3.854 1 3 -8.87199407553951 3594010 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.708 3 3 -11.3614186160353 3593971 CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NCC)NCC 1 4.454 3 3 -6.03003459668356 3593962 C=CC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=CS4 1 4.379 5 2 0 -3.93776921748473 3593902 COC1=CC(=CC(=C1OC)OC)C(=O)NCCC(=O)NC2CCCC3=CC=CC=C23 1 2.896 2 5 0 -18.8177275551023 3593901 CC(C)NC(=O)CCNC(=O)C1=CC(=C(C(=C1)OC)OC)OC 1 1.023 2 5 0 -25.3246976437602 3593900 COC1=CC(=CC(=C1OC)OC)C(=O)NCCC(=O)NC2CCCCC2 1 2.155 2 5 0 -19.3596716373566 3593895 COC1=CC(=CC(=C1OC)OC)C(=O)NCCC(=O)NCCC2=CC=C(C=C2)Cl 1 2.866 2 5 0 -16.9655441233682 3593873 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCC(CC3)C(=O)N 1 1.284 2 6 0 -11.436207457498 3593872 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NC3CC3 1 2.094 1 5 -12.4756081658578 3593871 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4CCCCC4 1 3.625 2 5 0 -8.24485950539613 3593812 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OCC)NC1=S 1 3.549 4 4 0 -9.73707852369917 3593714 COCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CC=N3 1 0.166 9 3 0 -24.2601876919423 3593711 CC1=C(C=C(C=C1)N=C2C(C(=O)C3=CC=CC=C32)[N+](=O)[O-])C 1 4.131 2 3 1.03348083243764 3593687 CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CO4)C 1 5.003 2 2 -20.5355513761281 3593667 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 1.562 4 5 0 -7.79781993300966 3593665 COC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br 1 3.936 1 5 -12.6097097613682 3593661 C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=C(C=C4)Br 1 4.39 2 4 -7.46655435076661 3593595 C1COC(=CO1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)Cl 1 1.033 3 4 0 -4.32424511131752 3613694 CON1C2=C(C=CC(=C2)Cl)N=C1C3=CC=C(C=C3)Cl 1 2.512 2 1 6.59982274470193 3613671 COC1=CC2=C(C=C1)C(=C(N2)Cl)[N+](=O)[O-] 1 2.46 2 3 3.67819944843444 3613662 COC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2 1 2.758 1 3 -8.0872799335526 3613648 CC(CCC=C(C)C)CN(C)CCC1=CC=CC=N1 1 4.234 2 0 -1.01789142934804 3613629 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2CSC3=CC=CC=C3 1 4.74 1 1 -5.79369843137708 3613601 CC(CC1=CC=CS1)NC(=O)NC2=CC(=CC=C2)Cl 1 3.559 2 1 -6.1721193839151 3613587 COC1=CC=CC=C1C=NNC(=O)CNC(=O)C2=CC=CC=C2 1 1.726 3 3 0 -13.346868133621 3593490 CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC(=S)N)C)C3=CC=C(C=C3)OC 1 3.115 4 3 0 -9.9193532158613 3593404 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 1.317 4 4 0 -21.8297058893795 3593394 C1=CC=C(C=C1)C(CCNCC(COC2=CC=CC=C2)O)C3=CC=CC=C3 1 4.55 1 2 -5.14665679078594 3593383 COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4OC)OC 1 2.968 5 5 0 -26.1192273649102 3593380 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4OC 1 3.334 5 4 0 -22.431863083675 3613580 CNC1=NC(=NC(=C1C#N)C2=CC=C(C=C2)OC)C3=CC=CC=C3 1 3.356 4 1 2.81564404156336 3613575 CC(COC)N1C(=O)C2=CC=CC=C2SC1=O 1 2.222 1 3 -5.02514196194095 3613572 CC1=CC=C(C=C1)C2CCN(C2)C(=S)NC(C)(C)C 1 4.423 2 0 -8.25015712500352 3613571 CC(C)N(CCC1=CC=NC=C1)C(=O)NC2=CC=C(C=C2)F 1 2.838 3 1 -2.18490500925582 3593326 CCOC(=O)C1=NN(CC1C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.971 3 6 0 -8.08682536953335 3593302 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl)N 1 1.827 4 6 0 -22.9841994826667 3593274 CC(C(=O)NNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 1 1.788 3 6 0 -12.4544235412088 3593211 CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 3.065 3 4 0 -31.4547781481881 3593066 C1=COC(=C1)C=NN2C(NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C4=CC=CO4 1 2.989 4 5 0 -8.15406268440784 3592886 CC1=CC(=CC=C1)N(CC(CN2CCOCC2)O)S(=O)(=O)C3=CC=CC=C3 1 2.325 2 4 -10.9339481330983 3592691 CC(C)(C)C(=O)NC(=S)NC1=C(C2=C(S1)CCCCC2)C#N 1 5.152 3 1 -27.1824717503193 3592685 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCCO3 1 1.301 2 5 0 -26.6770809277576 3592665 CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C=O)N=CN(C)C 1 2.897 2 3 -2.7758792747561 3592528 CC1=C(SC(=C1C(=O)OC)NC(=O)C2C3CCC(C2C(=O)O)C=C3)C 1 2.222 1 5 -12.4243803514494 3592496 CCOC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC 1 3.117 1 4 -13.6746747810605 3592420 CC(C)COC1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NN 1 2.909 4 3 0 -15.9310924849614 3592392 C1CCC2C(C1)C(=O)N(C2=O)C(CC3=CC=C(C=C3)O)C(=O)O 1 2.159 1 5 -6.00980473108809 3592358 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CC4=CC=CC=C4F 1 1.509 3 5 0 -22.5829182819237 3592264 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCC(CC3)C(=O)N)S(=O)(=O)N4CCOCC4 1 -1.567 5 6 0 -27.384507729292 3592263 CCOC(=O)CNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCOCC3 1 -1.192 4 7 0 -34.517356700849 3592261 CN(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4 1 2.969 3 5 0 -17.4494290811349 3592175 CCCCOP(=O)(C(C1=CC2=C(C=C1)OCO2)NC3=CC=CC=C3)OCCCC 1 5.161 1 5 -8.43679057487107 3592097 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)NC3=NOC(=C3)C 1 2.822 3 3 -5.6075879900727 3592096 CC1=CC(=NO1)NC(=O)CSCC2=C(OC(=N2)C3=CC(=CC=C3)F)C 1 2.542 3 3 -2.56083525602331 3592094 CC1=CC(=NO1)NC(=O)CSCC2=C(OC(=N2)C3=CC(=CC=C3)Cl)C 1 3.001 3 3 -2.2742877226768 3591959 CN1CCN(CC1)C2C3=CC=CC=C3C(=O)O2 1 1.734 2 2 0 1.35337134376869 3591781 CCOC(=O)N1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=CC=C3 1 1.224 3 4 0 0.299166545948708 3591780 CCOC1=CC=C(C=C1)NC(=O)C2CSC(=N2)C3=CC=NC=C3 1 2.276 3 2 -0.350888598533743 3591778 COC1=C(C=C(C=C1)Cl)NC(=O)C2CSC(=N2)C3=CC=NC=C3 1 2.591 3 2 1.08503621780297 3591755 CCCC(C(=O)O)NC(=O)CCC1=C(C2=C(C=C3C(=C2)C(=CO3)C4=CC=CC=C4)OC1=O)C 1 4.773 1 6 0 -20.3891466330298 3591743 C1=CC(=CC(=C1)N2C(=NNC2=S)CNC(=O)C3=CC=CO3)C(F)(F)F 1 3.075 4 2 -6.0231861230108 3591735 CC(=O)NC1=CC=C(C2=CC=CC=C21)NS(=O)(=O)C3=CC=CC=C3 1 2.346 2 3 -9.39049901702827 3591734 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 3.39 2 4 -6.94650241228716 3591680 CC1=CC2=C(N1)C=CC(=C2)CNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 1.883 3 3 0 -5.65872596586502 3591625 CC1=CSC(=N1)SC(C)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.558 2 3 -15.6652583762186 3591585 COC1=CC(=C(C=C1)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br 1 3.375 4 3 0 -4.60556941280795 3591547 CCCCN1C2=CC=CC=C2N=C1CNC(=O)CCC 1 3.323 3 1 -16.2393589292103 3591525 CC1=C(C=C(C=C1)NC(=S)NCC2CCCO2)S(=O)(=O)NC3=CC=CC=C3OC 1 3.828 3 4 0 -18.8750984150475 3591444 C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NN=CC3=CC=NC=C3 1 0.677 5 2 0 -7.95281024590776 3591440 CN(C)C(CNC(=O)CNC(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2 1 2.597 3 2 -12.1566052831884 3591384 C1CN(CCN1C2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3F 1 2.489 4 2 2.95614667570064 3591314 CCC(C1=CC=CC=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 3.252 2 4 -11.0671092088592 3591274 CC1=NC(=NC(=N1)NN=CC2=CC=CC=C2)N 1 1.178 6 0 0 -3.53734504503286 3591269 C1CN(CCC1N2C(=O)C3=CC4=C(C=C3NC2=S)OCO4)CC5=CC=CC=C5 1 3.604 3 3 -3.02241637660968 3591230 COC1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=CC4=CC=CC=C43)P(=O)(OC)OC 1 3.842 2 5 0 6.37440132492799 3591228 COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)C3=CC=CC4=CC=CC=C43)P(=O)(OC)OC)OC 1 4.146 2 6 0 3.56576922698713 3591227 COP(=O)(C1=C(OC(=N1)C2=CC=CC3=CC=CC=C32)NCCC4=CC=CC=C4)OC 1 4.179 2 4 6.82484941379887 3591224 COP(=O)(C1=C(OC(=N1)C2=CC=CC=C2)N3CCOCC3)OC 1 1.407 2 5 0 0.891605223332707 3591209 COC1=C(C=C(C=C1)CN2C3=CC=CC4=C3C(=CC=C4)C2=O)F 1 3.671 1 2 2.39515087584452 3591163 CCCCOP(=O)(C(C1=CC=NC=C1)NC2=CC=C(C=C2)C(=O)OCC)OCCCC 1 4.446 2 5 0 -13.1503130779163 3591105 CCC(=O)C1=CNC(=C1)C(=O)NCC2=CC=CS2 1 2.153 2 2 -10.9981949835495 3591020 CC(C1CC2CCC1C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C 1 2.354 3 3 -21.491840589309 3590942 C1=CC=C(C(=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=NC=CS4)O 1 3.061 3 2 1.7734255078255 3590932 CC(=NNC1=CC=CC=N1)C2=CC=C(C=C2)OC(F)F 1 3.623 3 1 2.75436768961942 3590837 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NNC3=CC=C(C=C3)C(=O)O 1 4.699 2 5 0 -7.51044727363284 3590788 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=CC=C3 1 1.126 2 6 0 -24.5825004746281 3590761 CC1(CC2=C(C(NC(=O)N2C)C3=CC=CC=C3[N+](=O)[O-])C(=O)C1)C 1 1.861 3 4 0 -20.0057742576616 3590735 COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)N4CCOCC4 1 2.919 3 6 0 -8.94043280397437 3590660 CC1=CC(=CC(=C1)N(CC(=O)O)S(=O)(=O)C2=CN=CC=C2)C 1 1.826 2 4 0 -13.927770334339 3590657 C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)O 1 1.796 2 6 0 -14.3469830032811 3590647 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)O 1 1.37 2 4 0 -15.2899441737018 3590639 CC(C)CNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)Cl)Cl 1 1.89 2 7 0 -23.0514138548191 3590596 CC(C)(C)NC1=NC(=NC(=N1)OC)OC2=NN(C(=O)C=C2)C 1 1.611 6 3 0 -13.0563039461422 3590541 CCOC1=CC=CC=C1C2C(C(OC3=CC4=C(C=C23)OCO4)(C)N5CCCC5)C 1 4.657 1 4 -8.07569760867243 3590538 CC1=CC(=NC2=NC(=NN12)SC(C)C(=O)N3CCCC3)C 1 2.079 5 1 -13.1302499884418 3590464 CCC(=O)NC(C(=O)OCC)(C(F)(F)F)N1CCC2=CC=CC=C2C1 1 3.292 2 3 -10.3570418842411 3590440 CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2 1 4.618 1 8 0 -22.8674385506572 3590397 CCCCNC(=O)COC(=O)C1=C2CCCC2=NC3=CC=CC=C31 1 3.324 2 3 -13.7821832311803 3590295 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3 1 4.575 4 4 0 -6.20308180401015 3590153 CC1CCCCC1NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)N 1 1.353 3 3 0 -15.167847838101 3590150 C1COCCN1NC2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)F)C5=CC=CC=C5 1 3.327 5 1 3.75759819031428 3590106 C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)CCC(=O)O 1 3.206 2 4 -22.0869657190404 3590095 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=NNC(=O)N 1 1.831 6 1 0 3.06927385260944 3590080 C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)C3=CC=CO3)C4=CN=CC=C4 1 2.868 4 2 -12.4569793545494 3589989 CCOC1=CC=C(C=C1)NC(=NCC2=CC3=C(C=C2)OCO3)SC4CC(=O)N(C4=O)C5=CC=C(C=C5)OCC 1 5.124 3 6 0 -4.42891551810014 3589942 CCC(C)NC(=O)C1=CC2=C(S1)N=C3C=CC=CN3C2=O 1 1.873 3 2 0 -22.6079116187564 3589938 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl 1 2.85 2 6 0 -15.6384271946509 3589929 COC1=C(C2=CC=CC=C2C=C1)CN3CCCC(C3)CO 1 2.812 1 2 7.967574665965 3589854 C1=CC=C(C=C1)C(=O)NN2C(C(=O)N(C2=S)C3=CC=CC=C3)CC(=O)N 1 1.921 4 3 0 -12.9279271696707 3589847 CCOC1=C(C=CC(=C1)C=O)OCCN2C(=NC=C2[N+](=O)[O-])C 1 1.926 3 5 0 -16.2297225853474 3589794 CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2C(CCCC2C)C 1 2.015 2 5 0 -17.7917416285633 3589665 CC1CCCCC1NC(=O)CSC2=NN=C3N2C(=CC(=N3)C)C 1 3.106 5 1 -23.3888539932055 3589636 CC(CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)CSC4=NN=NN4C5=CC=CC=C5 1 2.369 9 2 0 -18.1700437281947 3589508 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC(=O)N3CCCCC3 1 1.517 3 7 0 -20.9670114068492 3589470 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC4=CC=CC=C43 1 1.666 2 8 0 -34.998906355718 3589436 CCCC1=NC2=C(C(=O)N1CCN(C)C)SC3=NC4=C(COC(C4)(C)C)C=C23 1 3.101 4 2 -17.2514886084093 3589422 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N(C)C 1 2.589 2 5 0 -13.6479878194509 3589326 CC1=CC(=NC(=N1)NC(=O)C2=CN=C3N(C2=O)C=CS3)C 1 -6.7e-002 5 2 0 -15.4577147944826 3589299 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 1.476 4 6 0 -15.8728729985546 3589270 CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CCCCC4 1 3.84 2 3 -14.6905674462028 3589268 CN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CCCCC4 1 4.462 2 3 -14.48607059443 3589172 CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-] 1 3.78 4 5 0 -15.7929542537726 3589163 CC1=CC(=O)OC(=C1C(=O)NCC2=CN=CC=C2)C 1 0.884 2 3 0 -13.3119114305986 3589137 CC1=CC(=C(C=C1NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC4=CC=CC=C4C=C3)OC)[N+](=O)[O-] 1 2.985 4 6 0 -9.69725383982367 3589136 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2Cl)S(=O)(=O)N(C)C 1 2.589 2 5 0 -15.3772331620908 3589015 CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)F)C 1 3.929 3 3 -4.06645654245556 3588991 COC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CCl)[N+](=O)[O-] 1 3.912 4 4 0 -19.1377563879873 3588870 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCC=C 1 2.655 5 0 2.33263011524194 3588820 CC1CN(CC(O1)C)C2=C(C(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-] 1 2.316 6 3 0 -4.44749900130158 3588811 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NCC)NC3=CC(=CC=C3)F 1 4.518 3 3 -0.586801187252624 3588754 C1=CC=C(C=C1)C2=C(SN=N2)SCC3=CC=CC=C3Cl 1 5.236 2 0 -3.77310395117832 3588737 COC(=O)C1=CC2=C(S1)C3=CC=CC=C3OC2 1 3.185 0 3 -1.75688874950152 3588706 CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CC=C3OCC4=CC=C(C=C4)F 1 2.931 9 3 0 -21.0698017177789 3588669 CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CS3)S2)CC=C 1 3.503 3 2 -16.05800024308 3588620 CN1CCN(CC1)C(=S)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl 1 5.158 2 1 7.1358783636685 3588555 CC1=C(C=CC(=C1)Br)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)N4CCN(CC4)C5=CC=CC=N5)C 1 3.823 6 3 0 -20.1937556207588 3588545 CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3CCS(=O)(=O)C3 1 3.049 3 4 0 -27.2229553541097 3588478 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C 1 2.87 4 5 0 -13.8900336924241 3588389 CC1(CCS(=O)(=O)C1)NC(=S)NC2=CC3=CC=CC=C3C=C2 1 3.133 2 2 -8.45654649614261 3588388 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 3.924 2 7 0 -15.1674965742207 3588381 C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)C3=NC=CN=C3 1 1.538 4 1 0 -1.3248186124336 3588359 CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=NNC(=O)CC3)C 1 2.286 3 4 0 -22.1696662838184 3588338 CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC3=NC(=O)C=C(N3)C)C 1 2.907 5 2 0 -12.3180798645723 3588299 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC3=CC=CC=C3 1 0.243 5 5 0 -21.9414196239483 3588219 CC1=CC2=NC(=C(N2C=C1)NC(=O)C3=C(C=CC=C3Cl)F)C4=CC=C(C=C4)OC 1 5.18 3 2 -5.93519821128931 3588218 CC1=CC2=NC(=C(N2C=C1)NC(=O)C3=C(C=CC=C3F)F)C4=CC=C(C=C4)OC 1 4.721 3 2 -6.16577466999832 3588210 C1OC2=C(O1)C=C(C=C2)NS(=O)(=O)C3=CC(=CC=C3)Br 1 2.834 1 4 -3.70393516295469 3588131 CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C1=CC(=CC=C1)C)OCC 1 3.332 1 4 -12.5070280635024 3588035 CC(=C)CNC(=S)NN=C(C)C1=CC(=CC=C1)NC(=O)C 1 2.395 4 1 -13.2539847591349 3587928 CC1=CC(=CC=C1)OCC(=O)ON=C(C2=CC=CC=N2)N 1 1.986 3 3 0 1.57823747024056 3587874 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CC=CC=C3C 1 3.322 2 6 0 -15.5097238242239 3587847 CC1=CC(=C(C=C1)NC(=S)N(CCN(C)C)C(C)C2=CN=CC=C2)C 1 4.969 4 0 -11.1436303633367 3587833 COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)CC4=CC(=O)NC(=O)N4 1 2.028 6 4 0 -23.6540514947143 3587825 C1=CC=C(C=C1)C2=C(C=NC3=C(C(=NN23)N)N=NC4=CC=CC=C4Cl)C#N 1 4.755 7 0 0 3.97379725976577 3587816 CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)O 1 5.048 1 6 0 -16.1953553871326 3587812 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(C)C(=O)NCC3CCC(CC3)C(=O)O 1 4.179 1 6 0 -19.8804229122934 3587720 CC1=CC(=C(C=C1)N=CC23C4C(C(C5=CC=CC=C52)C6=CC=CC=C36)C(=O)N(C4=O)C7=CC=C(C=C7)OC)C 1 5.964 2 3 -1.12686977608632 3587681 CC1CCCC(N1N=CC2=CC=CC=C2OC(F)F)C 1 4.041 2 1 0.111055944508208 3587532 C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)C3=CN=C4N(C3=O)C=CS4 1 1.804 4 2 0 -14.2335191618008 3587481 CC(C)NC(=S)NN=C(C)CCC1=CC2=C(C=C1)OCO2 1 3.187 3 2 -12.0503905684457 3587354 CC1CN(CC(O1)C)C(=O)NC2=C(C=CC=C2C)C 1 2.567 2 2 -10.7838733234348 3587301 C1CCN2C(C1)C(=O)N(C2=O)CCCN3CCN(CC3)C4=CC=C(C=C4)F 1 2.34 4 2 -0.753538657898793 3587242 CCC1CCCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C 1 4.157 2 3 -15.4881500462698 3587176 C1=CC=C2C(=C1)NC(=N2)NN=CC3=CC(=C(C=C3)F)F 1 3.279 4 0 5.0100406117128 3587140 CC(C)C(C1=CC=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.726 2 3 -8.96642017606986 3586991 C1COC2=C(O1)C=CC(=C2)C=NNC3=CC(=C(C=C3)Cl)C(=O)O 1 3.528 2 4 -5.47021465839596 3586938 CC1=CC=C(C=C1)S(=O)(=O)N=C2N(C=CS2)C 1 1.254 2 2 0 -7.55576673193077 3586914 CC1CC1C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.561 2 5 0 -9.1321668256437 3586870 COC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2 1 3.377 2 2 3.58871617843193 3586856 C1COCCN1C(=O)C2=CN3C(=NC4=C(C3=O)C=C(C=C4)Cl)C=C2 1 1.063 3 3 0 -11.205751396734 3586809 CC1=NC(=C(NC(C1)C2=C(C=CC=C2Cl)F)C#N)C#N 1 1.795 4 0 0 -5.64997286850568 3586727 CCNC1=C(C=C(C=C1)C(=O)OC(C(C)C)C(=O)NC(=O)N)[N+](=O)[O-] 1 1.698 4 6 0 -14.7942020303116 3586710 C1=CC=C(C=C1)SCC2=CN3C=C(C=CC3=N2)Cl 1 3.575 2 0 0.802740670714706 3586707 CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C)C4=CC=CC=C4 1 5.451 5 1 -10.9748475198642 3586649 C1COCCN1C(=O)C2=NN(C(=N2)N)C(=O)C3=CC=C(C=C3)Cl 1 0.907 5 3 0 -2.47876823796486 3586645 C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)C3=CC=CO3)SCC4=CC=CC=C4 1 5.417 3 2 -5.45740450655875 3586644 CCCC(=O)N1C(=NC(=N1)C2=CC=CO2)SCC3=CC=CC=C3 1 4.385 3 2 -7.7140669780989 3586643 CC(=O)N1C(=NC(=N1)C2=CC=CO2)SCC3=CC=CC=C3 1 3.262 3 2 -3.84554231161221 3586642 CSC1=NC(=NN1C(=O)C2=CC=CC=C2Cl)C3=CC=CO3 1 4.007 3 2 -0.176817914545765 3586641 CSC1=NC(=NN1C(=O)C2=CC=C(C=C2)Cl)C3=CC=CO3 1 4.007 3 2 3.42948940546748 3586637 CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=C(C=C4)OC)C 1 5.69 2 6 0 -25.3094704987648 3586597 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC3=CC=CC=C32)Cl 1 2.484 3 3 -17.0291420384171 3586460 C1=CC(=C(N=C1)Cl)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)F 1 3.235 3 2 -2.00863777632741 3586418 CCNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)C 1 0.308 2 3 0 -7.35981291456291 3586413 CCOC1=NC(=NC(=N1)NCC=C)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.601 6 3 0 -8.43017664048546 3586407 C1CS(=O)(=O)CC1N(CC2=CC=CC=C2)C(=O)C3=C(C4=CC=CC=C4S3)Cl 1 4.152 1 3 -7.41593652948473 3586382 CCOC(=O)C1CCN(CC1)C(C)C(=O)C2=CNC3=CC=CC=C32 1 3.03 2 3 -6.26678023100765 3586381 CC(=O)C(C(C1=CC=CC=C1)C2=CNC3=CC=CC=C32)[N+](=O)[O-] 1 3.558 2 3 -1.96763744372901 3586379 CC1=NN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3 1 2.24 3 1 -9.47014545285285 3586309 CCSC1=NN=C(S1)NC(=O)CC(C)C 1 2.231 3 1 -18.2902267869357 3586271 CCOC1=CC=CC=C1C2C(=C(N(C3=C2C(=O)CCC3)N(C)C)N)C#N 1 1.58 4 2 0 -22.5094590537975 3586268 CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)C(=O)C5CC5 1 3.925 2 1 3.69289247407897 3586180 CC1=C(C(=CC=C1)C)OCC(CN2C3=CC=CC=C3N=N2)O 1 3.734 3 2 -6.19986737011981 3586134 C1CCC(=CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCC3 1 1.43 3 3 0 -18.4314384655509 3586053 C1CC2=C(C(NC3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)C1 1 2.229 3 1 -23.235103639571 3585943 C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)NC4=CC=C(C=C4)Cl 1 1.695 3 2 0 -5.37953819758439 3585922 C1C(OC2=CC=CC=C2O1)CNS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=CC=C(C=C4)C(F)(F)F 1 4.136 2 5 0 -5.30182411852812 3585904 COC1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC=C(C=C6)OCC(=O)O)S5 1 5.532 2 5 0 -18.425574620618 3585893 CN1C2=CC=CC=C2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)C5=CC(=CC(=C5)Cl)Cl)N)C#N 1 3.817 4 2 -7.87896864564409 3585877 CC1CC(=CCC1C=NNC(=O)N)CCC=C(C)C 1 3.243 3 1 -6.91692767104659 3585815 C1=CC=C(C=C1)CS(=O)(=O)C2=NC3=CC=CC=C3N=C2 1 2.942 2 2 -5.78407263948855 3585794 C1CC1NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 0.245 2 6 0 -27.4011813338783 3585771 C1CSC2=C(N1C(=O)NC3=CC(=CC=C3)Cl)C=CC(=C2)Cl 1 4.418 2 1 -0.317016706284339 3585765 C1CN(CCC12OCCO2)C(=O)C3=CC4=C(C=C3)N(C=N4)C5=C(C=C(C=C5)F)F 1 3.017 3 3 -6.83599856640777 3585650 CCN(CC)C(=O)C1=CC2=NC3=CC=CC=C3N=C2C=C1 1 3.171 3 1 -5.66556202563349 3585593 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3=CC=CC=C3)N=O 1 3.226 3 4 0 -1.54821923912186 3585479 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.445 3 2 -2.49696099056233 3585427 CC(C)NC1=NN=C(CS1)C2=CC=CS2 1 2.827 3 0 -6.79952369545165 3585388 CC1CCN(CC1)C(=O)C2=CC3=C(CC(CC3=O)(C)C)N(C2=O)C4=CC=C(C=C4)OC 1 3.01 2 4 -21.4270260639531 3585373 C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(=O)O 1 3.178 1 4 -7.58454252575028 3585299 COC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 2.348 1 6 0 -17.041427744117 3585251 CN(C)C1=NN(C(=N1)N(C)C)C(=O)C2=CC=C(C=C2)F 1 1.596 5 1 0 -0.568918979612128 3585248 CC(=NNC1=C(C=CC(=C1)C(F)(F)F)Cl)C2=CC=NC=C2 1 3.885 3 0 1.99386112973847 3585117 C1=CC=C(C=C1)C=NNC2=CC=NC(=O)N2 1 1.478 4 1 0 -4.24797231094507 3584968 C1=CC(=CC(=C1)Cl)NNC(=S)N 1 2.417 3 0 1.64756191795232 3584965 C1CC1C(=NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4CC4 1 2.713 4 3 0 -25.1973527759726 3584925 CC1=C(C(=CC=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)N=CC4=C(C(=CC=C4)OC)OC)C 1 5.571 5 7 0 -11.4819770827239 3584887 C1CN(C(=O)N1CC2=CC=CC=C2Cl)CC(=O)NCC3=CC=CO3 1 1.673 3 3 0 -16.5778030531501 3584883 CC1=CC(=CC=C1)CN2CCN(C2=O)CC(=O)N3CCCC3 1 1.396 3 2 0 -11.7556507798785 3584864 COC1=CC(=C(C=C1)N2C(=O)CCC2=O)OC 1 0.957 1 4 0 -7.41410875426786 3584814 CC1CCCC(N1C(=O)COC(=O)CC2=CC(=C(C(=C2)OC)OC)OC)C 1 2.608 1 6 0 -15.0393271256673 3584759 C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC(=CC=C2)Br 1 3.398 1 3 -12.8022969464389 3584670 C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)[N+](=O)[O-] 1 2.701 3 7 0 -16.8825404898795 3584569 CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCCO)[N+](=O)[O-])N 1 2.337 2 5 0 -8.05345845590544 3584564 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N 1 1.468 2 8 0 -19.5929810747389 3584549 C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CC=C(C=C4)Cl 1 3.989 4 3 0 -21.8139851685499 3584428 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)S(=O)(=O)C5=CC=C(C=C5)Cl 1 2.362 4 4 0 -25.5720732876253 3584205 CC1=CC=CC=C1N2C(=O)CC(C2=O)NC3=CC4=C(C=C3)OCO4 1 2.588 2 4 -12.0485386394803 3584203 CC1=CN2C=C(N=C2C=C1)C3=CC4=C(C=C3)OCC(=O)N4 1 1.793 3 2 0 0.761938599367734 3584173 CC1=CC(=C(N1C2CC2)C)C(=O)NP(=O)(N3CCOCC3)N4CCOCC4 1 -0.418 4 4 0 -9.52182623583673 3584130 CCC1=CC=C(C=C1)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-] 1 3.786 4 3 0 2.66529222387914 3584115 CN1CCN(CC1)C2=C(C3=CC(=NC(=C3C(=N2)N)N)OC)C#N 1 1.082 7 1 0 -3.99731648036422 3584091 CN1CCC2=C(C1)SC(=C2C(=O)OC)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C3=CC=CC=C3 1 4.556 3 3 -18.7526632390264 3584090 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 1 1.973 2 6 0 -19.4475492651228 3583948 CC(C)C1=CC=C(C=C1)S(=O)(=O)N=C2C=CC(=O)C3=CC=CC=C23 1 3.717 1 3 -0.240735138968726 3583858 C1=CC(=CC=C1C(=O)NNC2=CC=C(C=C2)O)Br 1 3.143 2 2 0.852625753010281 3583855 C1COCCN1C2=CC=C(C=C2)NC3=C(C=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.018 4 5 0 -2.02792230826628 3583854 CCCCCN1C2=C(C(=C1N)C3=NC4=CC=CC=C4S3)C(=NN(C2=O)CC)[N+](=O)[O-] 1 4.321 6 3 0 -2.67324069938544 3583806 CCC(C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CC=CS4)N 1 3.855 6 1 0 -14.0974152356403 3583690 CCOC(=O)C1=CC(=NC2=C1C(=NN2C3=CC=CC=N3)C)C4=CC=CS4 1 4.08 4 2 -7.38236664597217 3583657 CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C(=C3)C)C)[N+](=O)[O-] 1 4.646 3 7 0 -14.0866146763665 3583645 C1=CC=C(C=C1)C(=O)C(NC(=O)C2=CC=C(C=C2)F)O 1 2.378 1 3 -7.73823975233615 3583621 CCOC1=CC=C(C=C1)NC2CCCCC2NS(=O)(=O)C3=CC=CC=C3 1 3.961 2 3 -8.91095894177107 3583595 CCCNC(=O)C1=CN=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3 1 3.698 3 1 -1.9552868284194 3583594 C=CCNC(=O)C1=CN=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3 1 3.443 3 1 -4.19874949492976 3583535 CCC(C)NC1=NC2=CC=CC=C2N3C1=NN=C3C 1 2.321 5 0 -8.89700174084167 3583494 CC1CC(CN(C1)C2=C(N=C(O2)COC3=CC=CC(=C3)C)C#N)C 1 4.123 3 2 -7.36672626337289 3583297 CC1(C2(CCC1(CC2=O)C(=O)NNC3=CC=C(C=C3)[N+](=O)[O-])C)C 1 2.497 3 4 0 -9.69741446550267 3583290 CS(=O)(=O)N(CC(=O)NCCSCC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3 1 1.972 2 5 0 -19.8143613539253 3583243 CC1=NN(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N)C 1 1.389 6 1 0 -18.0431581740245 3583224 C1CS(=O)(=O)CC1NC(=O)COC(=O)COC2=CC=C(C=C2)Cl 1 0.752 1 6 0 -16.1143819983815 3583186 CCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)CC2=CC=CC=C2F 1 3.161 1 4 -11.9164970645427 3583172 CC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=C(C(=CC=C2)Cl)Cl)[N+](=O)[O-] 1 4.983 4 3 0 -9.05169796298771 3583009 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.81 3 5 0 -10.8344258428266 3582923 C1CCCC(CC1)NC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3F 1 4.147 1 4 -8.89059771705879 3582922 CC(C)OCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)CC2=CC=CC=C2F 1 2.491 1 5 -14.5237433919549 3582870 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCCC(=O)N3CCC4(CC3)OCCO4)C 1 0.334 4 5 0 -30.8691562203012 3582921 C1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3F 1 3.737 1 4 -9.80748626564115 3582901 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=NC4=CC=CC=C4S3 1 4.656 2 1 -11.7028811645662 3582889 CC1=C(C(=CC=C1)C)NC(=S)N(CCN(C)C)C(C)C2=CN=CC=C2 1 4.969 4 0 -10.5337071366226 3582851 CC1=C(N2C=CC=CC2=C1)C(C[N+](=O)[O-])C3=C(C=C(C=C3)OC)OC 1 3.981 2 4 -3.92745910211472 3582773 CCC1C(=O)N(C(=NN=CC2=CC=CO2)S1)CC3=CC=CC=C3C 1 4.629 3 2 -6.95613199645949 3582738 C1CC(=O)N(C1)C2=CC=C(C=C2)CN3C(=O)CC(C3=O)N4CCC(CC4)C(=O)N 1 7.8e-002 4 4 0 -8.82763364035742 3582709 CC1(CC2=C(C=C(C(=N2)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl)C#N)C(=O)C1)C 1 3.043 4 4 0 -27.0204696106899 3582509 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)NC3=NOC(=C3)C 1 1.898 4 6 0 -28.1391619195536 3582432 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=CC=C3OC)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC 1 2.876 4 7 0 -26.4652300944049 3582424 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=CC=C3OC)C(=O)NC4=CC(=C(C=C4)OC)OC 1 2.892 4 6 0 -26.7743226431824 3582387 CN(C)CCCNC1=NC(=C(C(=N1)NC2CCCCC2)[N+](=O)[O-])N 1 1.53 7 2 0 -2.99726531060283 3582380 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N)C)C 1 1.697 2 5 0 -24.5150291601074 3582366 CC1=C(C=CC(=C1)NC2=NNC(=C2C#N)N)F 1 1.674 5 0 0 -3.0907847854663 3582349 CC(=C)CNC(=S)NN=C(C)C1=CC=C(C=C1)N2C=CN=C2 1 2.945 5 0 -10.3685914019899 3582260 CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=CO3 1 2.704 2 2 -7.49172913295529 3582212 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4Br)OC 1 4.061 5 4 0 -27.1792964107233 3582211 COC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4Br 1 3.757 5 3 0 -23.77273519422 3582157 CCOC(=O)C(C(F)(F)F)(NC1=NN=C(S1)C)NC(=O)C2=CC(=CC=C2)Cl 1 2.877 4 3 0 -13.5391383550564 3582153 COC1=CC(=C(C=C1)OC)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S 1 2.993 3 4 0 -13.2161773589665 3582152 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCCCOC 1 0.598 3 5 0 -31.1875692548329 3582105 CC1=CC=CC(=C1)C2=NC(=C(O2)NCC3CCCO3)C#N 1 2.738 3 2 -0.435316751471582 3581989 CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=NC=C4 1 2.545 9 2 0 -23.1993140926626 3581960 CC1=NN(C(=O)N1C2=CC(=CC=C2)Cl)CC3CC3 1 2.682 3 1 -0.409376725234333 3581848 CN1CCN(CC1)C(=O)C2=NOC(=C2)C3=CC=CO3 1 1.288 3 3 0 -1.23038237621184 3581830 C1C2C=CC1C(C2C(=O)NC3=CC=CC(=C3)C(=O)O)C(=O)O 1 1.122 1 5 0 -4.59629091683073 3581805 C1=CC(=C(C=C1F)F)C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N)NC(=O)C3=C(C=C(C=C3)F)F 1 2.926 3 4 0 -9.76128053230209 3581780 CC(=NNC(=S)NC1CCCCC1)C2=CC=C(C=C2)C#N 1 3.949 4 0 -11.5209587549767 3581717 C1=CC=C2C(=C1)N=NN(S2(=O)=O)CC3=CC=C(C=C3)Cl 1 3.783 3 2 -4.90275628825299 3581430 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NCC3=CC=CC=C3 1 2.321 3 2 -21.0619926448973 3581322 C1=CC=C(C(=C1)[N+](=O)[O-])OCC2=CC=C(O2)C(=O)NCC3=CC=CO3 1 2.738 2 6 0 -13.8807536733538 3581221 CC1=C(C=C(C=C1)NC(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)O)C 1 2.92 2 4 -5.63938851988615 3581200 C1CC(OC1)COC2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)F 1 4.312 2 3 -4.13064038097499 3581152 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC4=CC=CC=C4C=C3 1 3.466 3 1 3.16992721609958 3581075 CC(=NNC(=S)N)C1(CC2(CC(OC2=O)(C)C)C(=O)O1)C 1 0.935 3 4 0 -6.69770695652315 3581003 CC1=NN(C(=C1C(C2=CC=C(C=C2)C(C)C)C3=C(N(N=C3C)C4=CC=CC=C4)N)N)C5=CC=CC=C5 1 6.056 6 0 -2.72841988888591 3580991 CC(C)CCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCNC(=O)C 1 2.069 4 3 0 -29.4840814642208 3580891 CC1(C2(CCC1(C(C2=O)Br)C(=O)NCC=C)C)C 1 2.317 1 2 -12.0954848308138 3580863 C1=CC=C(C=C1)CNC(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.668 3 5 0 -17.9366235621239 3580732 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=O)NC4=CC=CC=C43 1 2.517 3 4 0 -25.0291635862452 3580678 CC1=CC(=C(C=C1)C(=O)NN=C(C)CCC2=CC3=C(C=C2)OCO3)C 1 3.885 2 3 -6.23318123016963 3580647 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=C3CCCC3)C 1 3.385 4 1 -16.4322950629891 3580644 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC(=O)NC4=CC=CC=C43 1 0.995 3 7 0 -30.7162753981622 3580640 C1CCCC(CC1)NC(=O)C2=CC=C(C=C2)OCC3CCCO3 1 3.695 1 3 -12.2054471728951 3580537 CCOC(CNC(=O)C1=CC=CN2C1=NC3=C(C2=O)C(=C(S3)C)C)OCC 1 1.559 3 4 0 -19.4024419095647 3580536 COC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)OC 1 1.795 2 6 0 -10.4593994704788 3580533 CC(C)(C)NC(=O)CC(CC(=O)O)C1=CC=CC=C1 1 1.89 1 3 0 -14.6855499943453 3580506 COC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3OC2=O 1 2.166 2 4 -5.11509646207649 3580503 C1=CC=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3OC2=O 1 2.51 2 3 -9.57298757696543 3580479 CC(C1=CC=CO1)N(C2=CC=CC=N2)C(=O)C34CC5(CC(C3)(CC(C5)(C4)C)C)C 1 4.968 2 2 -8.37853374824479 3580474 CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2Cl)C=NNC3=CC=CC=C3)N=CN(C)C 1 5.421 4 2 -0.208713107936212 3580470 C1CC(OC1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4 1 1.892 2 4 0 -19.250903298524 3580396 CC1CC2=CC=CC=C2N1C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Br 1 4.508 2 3 -11.1554251588689 3580308 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)F 1 4.753 4 4 0 -18.0465056970288 3580271 CCCC1(C2C(C(N1)C3=CC=CC=C3O)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O 1 -0.186 2 5 0 1.04557902931657 3580257 CC(C1=CC=CC=C1)SC2=NN=C(S2)NC(=O)C3=CC4=CC=CC=C4OC3=O 1 4.163 3 3 -19.5727311256099 3580218 CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3OC2=O)Cl 1 3.333 2 3 -4.27027439902363 3580217 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CN2C3=CC=CC=C3OC2=O 1 3.124 2 3 -5.73202891650948 3580213 C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2N)C(=S)N 1 -1.233 5 4 0 -12.6890288378067 3580209 C1=CC(=CC=C1C(CC(=O)OCC(=O)N)NC(=O)N)Cl 1 0.249 3 4 0 -8.21416280120755 3580180 CC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3F 1 1.832 2 6 0 -20.7516895271269 3580170 CC(C1=CC=CC=C1)C(CC(=O)O)C(=O)NC2CCCCC2 1 3.28 1 3 -13.0107517613846 3580168 CCCCC1=NC2=CC=CC=C2C(=C1)C3=NNC(=S)O3 1 4.591 3 1 -5.12857820155189 3580136 C1=CC=NC(=C1)CC2=NNC(=O)C=C2 1 0.75 3 1 0 -9.99696100770055 3580069 CC1=CC(=NN1CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C 1 2.058 3 3 -11.9284531012712 3580044 CCC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=C(ON=C2C)C 1 1.829 2 5 0 -12.0645331734478 3580042 CC1=CC=C(C=C1)N(C(C)C(=O)O)S(=O)(=O)C2=CN=CC=C2 1 1.824 2 4 0 -8.89791244959986 3579984 CC1=CC(=C(N1CCOC)C)C2=NN=C(SC2)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.988 5 4 0 -27.5413522280141 3579842 CCOC(=O)C(=O)NC1=CC(=NN1C2=NC3=CC=CC=C3N2)C 1 1.991 5 3 0 -1.91975614644433 3579831 CCC(=NNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4 1 5.73 2 1 -1.15740896340391 3579761 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C 1 0.573 3 4 0 -9.2898889382177 3579760 CCN(C1CCCCC1)C(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 4.662 2 2 -7.38004115748912 3579716 CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C 1 2.43 3 3 -10.351897811996 3579689 CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCOCC4 1 4.65 3 2 -8.27591777812255 3579665 CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O 1 0.902 3 6 0 -26.2704101911966 3579602 C1=CC2=C(C=C1C(=O)O)C3=C(S2(=O)=O)C=CC(=C3)C(=O)O 1 1.88 0 6 0 -3.68244198266857 3579545 CCN1C2=C(C=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3)C4=CC=CC=C41 1 4.982 2 2 -5.6457851627232 3579517 C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)N)C3=CC=CC=C3 1 2.703 3 2 2.51385502228976 3579482 C1CN(C(C2=CC=CN21)C3=CC=NC=C3)C(=S)NCC4=CC=CC=C4 1 4.125 4 0 -14.967642414687 3579362 CC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)C23CC4CC(C2)CC(C4)C3 1 4.19 1 4 -20.1718340455183 3579357 CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)C3=CC(=C(C=C3)O)O 1 4.29 2 4 -14.5565267867093 3579351 CC(C)(C)C(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)SC=C2 1 4.878 2 3 -27.3199233752565 3579343 C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCC4=CC=CO4)N)[N+](=O)[O-] 1 2.602 7 3 0 3.49179610107568 3579293 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)N4CCOCC4)C 1 2.363 4 4 0 -18.3086166743552 3579284 CC1=C(C=C(C=C1)N2C(=O)CCC(=N2)C(=O)O)Cl 1 2.084 2 3 -10.4113252962247 3579243 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.793 4 8 0 -15.2164888367235 3579174 CCC1=CC=C(C=C1)CC2(CC(N(CC2C)C)C)O 1 3.282 1 1 0.832206914094447 3579160 CC1=CC(=C(C=C1)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])C)C 1 4.296 3 2 0.622626599587246 3579153 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NCC3=CC=C(C=C3)Cl 1 2.418 2 3 -12.1123722228632 3579134 CCC(C)NC(=O)NC(=O)N(C1CCCCC1)S(=O)(=O)C 1 2.038 3 4 0 -7.39874293224371 3578904 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=CC(=C3O)OC)Br)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 4.276 4 4 0 -6.5405130699437 3578878 CCC1=CC=CC=C1NC(=O)CC2CS(=O)(=O)CC2CC(=O)NC3=CC=CC=C3CC 1 3.43 2 4 -10.5915515920272 3578825 CCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4C=CN=C4C 1 5.481 5 0 -8.31692097916441 3578754 C1=CC(=CC=C1C2=CN(C(=S)N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 4.394 3 2 -1.84885340378161 3578748 CC(=O)OC1=CC(=C(C=C1)C2(CC(NC(=S)N2C3=CC=C(C=C3)OC)(C)C)C)OC(=O)C 1 4.665 2 5 0 -5.855752026328 3578737 CC1=CC=C(C=C1)CN2CCC(CC2)C3=CC(=NN3)C4=CC=C(C=C4)Cl 1 5.727 3 0 10.2292790102484 3578717 CC(=NNC(=O)C(C1=CC=CC=C1)O)C2=CN=CC=C2 1 0.895 3 2 0 -11.1905884640124 3578707 COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)CC(C(F)(F)F)O 1 3.473 3 2 3.0102113342787 3578705 CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=NN2)C3=CC=C(C=C3)OC 1 3.81 3 3 -2.41782914570472 3578704 CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=NN2)C3=C(C=CC(=C3)OC)OC 1 3.794 3 4 0 -4.76665874148737 3578672 C1COCCN1CCNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)N4CCOCC4 1 3.34 5 4 0 -9.91664525795922 3578644 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NNN=N3 1 2.563 4 3 0 -9.61352660790173 3578639 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)NN=CC3=CC=C(C=C3)OC)C 1 3.333 5 3 0 -3.57670036631529 3578629 CC1(CC(=O)C(C(C1C(=O)OC(C)(C)C)C2=CN=CC=C2)C(=O)OC(C)(C)C)O 1 1.79 1 6 0 -11.7816801958211 3578607 COC(=O)C1=C(N(C(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC 1 4.308 1 3 -5.82435422993632 3578517 CC1=NC=C(N1CCOC(=O)NC(C(Cl)(Cl)Cl)NCC2=CC=CC=C2Cl)[N+](=O)[O-] 1 3.686 5 4 0 -16.7545735411554 3578502 CC1CC(CN(C1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl)C 1 3.978 5 0 3.37835795487171 3578392 C1CCC(CC1)N2C(=O)C(NC2=S)CC3=CNC4=CC=CC=C43 1 4.331 3 1 -5.70038378797451 3578380 C1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Cl 1 4.552 1 4 -6.48906861901168 3578348 CC(CNC1=CC=CC=C1O)C(=O)O 1 1.588 1 3 0 -1.6422783503579 3578288 COC1=CC=CC=C1NC(=O)COC(=O)C2CC3CC2C=C3 1 1.998 1 4 0 -6.64133469388229 3578285 CC1=C(C(=CC=C1)C)NC(=S)NN=C(C)C2=CC3=CC=CC=C3O2 1 5.633 3 1 -2.00392024780346 3578284 CCCCNC1=NN=C(S1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.81 5 3 0 -30.0998877015063 3578254 CCCN1CCC(CC1)(C(=O)NC2=CC=CC=C2)N(CCC)C(=O)C3=CC(=CC=C3)F 1 4.011 3 2 -6.56874818880177 3578181 C1CC(=NNC(=O)C2=CC=CC=C2N3C=CC=C3)CCC1C4=CC=CC=C4 1 4.568 3 1 -4.9705949056911 3578180 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CC=C4 1 3.573 3 3 -5.01781448477252 3578173 CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3CCCO3)C)OCC(=O)N4CCOCC4 1 2.16 2 8 0 -32.6243346490278 3578169 C1=CC=C2C(=C1)N=CN2CC(=O)NC3=CC(=C(C=C3)F)F 1 2.598 3 1 -7.46704805286865 3578091 CC12CCC3C1(COC2(C3)C(=O)NC4=CC=C(C=C4)Cl)C 1 3.021 1 2 -3.17556819504242 3578049 C1COCCN1CCC2=CN=C(N=C2C3=CC=C(C=C3)F)N 1 2.06 4 1 4.20931091676371 3578048 CN1C(C2C(O1)C(=O)N(C2=O)N(C)C3=C(C=C(C=N3)C(F)(F)F)Cl)C4=CC=C(C=C4)OC 1 3.009 4 4 0 1.45781770882488 3578009 C1CN2CCC1C3=C2C(NC(=S)N3)C4=CC=C(C=C4)Br 1 3.076 3 0 -7.02562086007887 3578007 CC1=CC=C(C=C1)C2C3=C(C4CCN3CC4)NC(=S)N2 1 2.814 3 0 -7.39095980556425 3578004 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2C4=CC=CC=C4C3=O 1 2.827 2 3 -6.57756298169503 3577965 CCOC(=O)C1=C(NC2=C(C1C3=CC=CS3)C(=O)NC(=O)N2)C 1 1.01 3 4 0 -29.4687426019858 3577944 COC1=CC=C(C=C1)C2CC3=NC(=NC=C3C(=O)C2)NC(=O)C4=CC=CO4 1 2.548 3 4 0 -14.7668863014938 3577930 CC1C(NC(C(C1=O)C)C2=CC=CC=C2F)C3=CC=CC=C3F 1 4.109 1 1 -2.54293274685125 3577928 CCOC1=CC=C(C=C1)CCNC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C)C 1 3.233 2 4 6.36564974301575 3577925 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCCCC3=CC=CC=C3 1 3.356 2 3 5.51404365765354 3577882 CC1=C(C(=CC=C1)C)NC(=S)NCCSC2=CC=C(C=C2)Cl 1 6.339 2 0 -5.6641113609014 3577881 CC1=CC(=CC=C1)NC(=S)NCCSC2=CC=C(C=C2)Cl 1 5.853 2 0 -3.12106130722033 3577878 CC1=CC=C(C=C1)NC(=S)NCCSC2=CC=C(C=C2)Cl 1 5.853 2 0 -5.00870686054946 3577877 CCC1=CC=CC=C1NC(=S)NCCSC2=CC=C(C=C2)Cl 1 6.309 2 0 -6.1245686946042 3577588 C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])Cl 1 3.477 3 5 0 -5.3721574054433 3577558 CC1=CC=CC=C1NC(=S)NCCSC2=CC=C(C=C2)Cl 1 5.853 2 0 -6.56895979707264 3577511 CC1=CC=C(C=C1)N2C(=S)N=C(C23CCOC(C3)(C)C)NC4=CC=CC=C4C 1 5.444 3 1 -5.03199445488532 3577425 CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)N4CCOCC4 1 2.42 3 3 -14.3681273795981 3577415 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C34CCC(C3)CC4 1 3.389 2 4 -6.93371718769436 3577410 CCOP(=O)(C(C1=CC=CC=C1)NC(=O)C(F)(F)F)OCC 1 2.256 1 4 -10.6328791346194 3577407 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O)Cl 1 2.132 4 5 0 -10.3422150546335 3577401 CN1C=CN=C1SCC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.213 2 4 -7.40032543588859 3577292 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.611 3 6 0 -14.2829072772055 3577266 CC1=NC=CN1C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC 1 3.804 4 1 4.42763315209143 3577242 C1=CC=C2C(=C1)C=CC=C2NC(=O)NNC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.417 4 5 0 -13.3496465405463 3577201 C=C1C2=CC3=C(C=C2NC(=S)N1CC4=CC=CC=C4)OCO3 1 4.402 2 2 1.7671243023768 3577161 CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC4=C(ON=C4C)C 1 4.293 3 1 -19.85057452139 3577149 CCC(C)C(=NNC(=O)C1=CC=C(C=C1)COC2=CC(=C(C=C2)Cl)C)C 1 5.293 2 2 -7.00345482844515 3577142 C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3C(=O)NCC4=CC=CO4 1 3.118 3 3 -5.20299075334684 3577083 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2(CC2(Cl)Cl)C 1 2.453 1 3 -9.52858622961617 3577080 COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3 1 3.772 1 2 -7.67056953215501 3577078 COC1=CC(=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)[N+](=O)[O-])OC 1 2.826 5 5 0 -7.90914632541915 3576888 C1CS(=O)(=O)CC1NC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4 1 1.929 1 6 0 -14.5600631129465 3576822 CN(C)C1=NC(=C(C(=N1)NCCO)[N+](=O)[O-])N 1 -0.863 6 3 0 -2.15106414085736 3576813 CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C3=NC4=CC=CC=C4C(=O)N3N 1 3.391 3 2 -2.89922800309986 3576787 COC1=CC=CC=C1N2CCN(CC2)C(CNC(=O)C3=CC=CO3)C4=CN=CC=C4 1 2.646 4 3 0 -15.4602147301576 3576709 CC(C)CC(C(=O)OCC(=O)NC1=CC(=CC=C1)Cl)N2C(=O)C3CC=CCC3C2=O 1 3.158 2 5 0 -11.4286847336872 3576658 C1=CC(=CC=C1NN=CC2=CC=NC=C2)S(=O)(=O)N 1 1.003 4 2 0 -4.31731540536069 3576579 CC1=CC(=C(C=C1)C)S(=O)(=O)N2C(C(=O)NC2=S)C(C)C 1 3.395 2 3 -9.765031535466 3576264 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(NC2=O)C3=CC=CC=C3)C 1 3.164 1 3 -8.30526433369445 3576242 CC(C)(C(=O)N1CCN=C1SC)OC2=CC=C(C=C2)Cl 1 3.604 2 2 -3.38264789474005 3576241 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.801 4 6 0 -20.9084565420707 3576108 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 2.365 4 4 0 -20.1453715905959 3575994 CC1=CC=C(C=C1)CNC2=C(C(=O)N3C=C(C=CC3=N2)C)C=NCC4=CC=C(C=C4)C 1 4.431 4 1 -10.4099684441823 3575955 CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CC=C3Br 1 4.498 3 1 -5.54322935249771 3575942 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC(=O)NCC4=CC=CO4 1 1.755 4 7 0 -29.0860120016979 3575923 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CNCC3=CC=CS3 1 1.986 3 3 0 -17.7448294069385 3575903 CCCCCCCCOC1=CC=C(C=C1)C2C3(C(=N)OC4(O2)CCCCC4C3(C#N)C#N)C#N 1 5.254 4 3 0 -2.09410337776305 3575858 CC(C)(CO)NC(=O)C12CC3CC(C1)CC(C3)(C2)Br 1 2.105 1 2 -6.77945492887519 3575848 COC1=CC=CC=C1N2CCN(CC2)CCCN3CC(=O)N4CCCCC4C3=O 1 1.398 4 3 0 -7.6751869430188 3575840 CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CO3)F 1 2.828 2 5 0 -13.4554108849189 3575787 CC(C)OC1=CC=C(C=C1)C(CCNCC2=CC=C(C=C2)OC)C3=CC=CC=C3OC 1 5.689 1 3 -4.97031296118946 3575746 CC1=CC(=CC=C1)CN2CCN(C2=O)CC(=O)NCC3=CC=CS3 1 2.053 3 2 -16.2461167683742 3575716 COC1=CC=C(C=C1)NC(=O)COC(=O)C2CC3CC2C=C3 1 1.998 1 4 0 -3.52258615547115 3575621 CC(=C)CNC(=S)N1CCNC(=O)C1CC(=O)OC 1 1.225 3 3 0 -31.6988586590649 3575555 CCC(CC)C=NNC(=O)C1=CC=CC=C1F 1 3.158 2 1 -7.39539156638021 3575535 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=C(C=C3)Br 1 3.438 3 3 -6.36435212624717 3575426 C1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC5=CC=CC=C5C=C4 1 3.627 3 3 -3.61584039733382 3575404 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC 1 1.891 2 5 0 -20.6588016429747 3575373 CCN(CC)CC(CN1C2=C(C=C(C(=C2)C)C)N=C1C3=CC(=CC=C3)Cl)O 1 5.438 3 1 5.31309807019393 3575235 CC(C)OP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=CC=C2)O 1 3.358 1 3 -7.49946504490524 3575208 CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)N(C)C)N)C#N 1 2.038 4 2 -21.3042453731297 3575161 C1CCC2=C(C1)C=C(S2)C(=O)NN=C3CCC(CC3)C4=CC=CC=C4 1 5.028 2 1 -5.93231787847918 3575128 CC1CC(CN(C1)C(C2=CC=C(C=C2)C)C3=C(N4C(=NC=N4)S3)O)C 1 4.566 4 1 -6.68948131567231 3575127 CC1C(=O)N(C(=O)C(S1)C)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.03 3 5 0 -9.37096644435436 3575123 CC1(C(=O)NC2=CC=CC=C2N1C(=O)CN3C(=O)C(NC3=O)CCC4=CC=CC=C4)C 1 1.986 4 4 0 -13.1039482701389 3575114 CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)Cl)Cl 1 3.564 1 3 -11.0987062334524 3575104 CN(C)C=NC1=C(C=NN1)C#N 1 -0.215 5 0 0 -2.46642764007325 3575102 COC1=CC=CC(=C1)C(=O)NN2C(=O)C3C4C=CC(C3C2=O)O4 1 8.4e-002 2 5 0 1.13299487057453 3575040 CC1(C2=CC=CC=C2N(C13CC(=NO3)C4=CC(=C(C=C4)Cl)S(=O)(=O)N5CCCC5)C)C 1 4.509 3 3 -15.1167801497782 3575026 CC(=NOCC(=O)NCC1=CC=CC=C1)C2=CC=CC=C2 1 2.319 2 2 -10.8127549343585 3574967 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)COC3=C(C=C(C=C3)C(=O)C)OC 1 2.449 1 7 0 -27.2844892524665 3574902 CC(C)C=NNC1=NC(=O)C(S1)CC2=CC=C(C=C2)SC(F)F 1 4.712 3 1 -6.41175314946836 3574794 CC1=C(C(=NO1)C)C2(CCCCCCCCCCC2)O 1 4.559 1 2 -1.20229705263129 3574667 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C5=CC=CC=C5 1 4.821 4 4 0 0.399698748273573 3574661 C1CCC(CC1)NC(=O)CCCCCN2C(=O)C3=C(C=CS3)NC2=S 1 4.495 3 2 -14.6540156860829 3574604 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O 1 3.278 1 6 0 -7.55694221903615 3574567 C1=CC=C(C=C1)NN=C(C=O)C(=O)C2=CC=NC=C2 1 1.952 3 2 0 -2.50211569470292 3574507 CCC1=CC=C(C=C1)CNC(=O)C2CCC(=O)N2C3CCCCC3 1 3.414 2 2 -13.1444742661968 3574506 CC1=CC=C(C=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NC3CC3 1 2.603 1 4 -9.18735148310599 3574477 CC1=NC2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5 1 3.932 3 4 0 -8.93406906440034 3574475 CC1=NC2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)C(=O)NCCN4CCOCC4 1 2.406 4 3 0 -9.36610547780124 3574419 C1=CC=C(C=C1)C2=NC(=CS2)C3=CC(=CC=C3)NC(=O)C4=CC=CS4 1 4.895 2 1 2.58259549529795 3574315 CC1=CC=CC=C1S(=O)(=O)OC2=CC=CC=C2C(=O)OC3=CC=CC=C3 1 4.883 0 5 -11.5389264365734 3574260 C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCC(=O)NCC4=CC=CC=C4Cl 1 3.466 3 4 0 -15.0432810020031 3574259 C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCC(=O)NCC4=CC(=CC=C4)Cl 1 3.466 3 4 0 -11.696734872625 3574258 C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCC(=O)NCC4=CC=C(C=C4)Cl 1 3.466 3 4 0 -11.8576428809328 3574253 CC1CCCCC1NC(=O)C2=C(C(SC2=NCC(C)C)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC)N 1 3.888 4 4 0 -22.1097511945404 3574233 C1CN(CCC1O)CC2=CC=C(C=C2)OCC3=CC=CC=C3 1 2.903 1 2 3.58649690038801 3574218 CC(C)CC1C(=O)N(C(=O)N1)CC(=O)NC2=CC3=C(CCC3)C=C2 1 2.454 3 3 -15.8744918059722 3574188 CCOC1=CC=C(C=C1)NC(=S)N(CCC2=C(NC3=CC=CC=C32)C)CC4=CC=CO4 1 6.489 3 2 -8.92481412229807 3574141 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)N3CCCC3 1 1.849 3 5 0 -19.9661044140782 3574139 COC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCC4 1 3.971 4 4 0 -23.3761303241801 3574137 COC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-] 1 4.531 4 5 0 -20.7963176512697 3574135 COC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4 1 4.309 3 4 0 -15.6316344305909 3574126 CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C=NC(=N3)[N+](=O)[O-] 1 2.124 5 5 0 -22.3645901499834 3574064 C1=CC=C(C(=C1)C=NNC(=O)CN2C3C(NC(=O)N3)NC2=O)F 1 -0.289 6 3 0 -11.6434151959347 3573971 CC(=C)CNC(=S)NN=C(C)C1=CC=C(S1)Cl 1 3.687 3 0 -6.51133808835741 3573944 C1CC1C(=O)C2=CNC(=C2)C(=O)NCCCN3C=CN=C3 1 0.724 4 2 0 -6.88642083702108 3573893 CC(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=CC=C(C=C2)F 1 2.161 3 6 0 -10.7038516015167 3573892 CC(C(=O)NC(=O)NC)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=CC=C(C=C2)F 1 2.366 3 6 0 -12.0382545911797 3573843 CCCCC(=O)NC1=NC2=C(S1)C3=C(C=C2)N=C(S3)C 1 3.499 3 1 -8.72199543926706 3573791 CCC1=CC=CC=C1N(C2=NC(=CS2)CN=C=S)C(=O)C 1 3.653 3 1 -6.3151787388401 3573716 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C)S(=O)(=O)N3CCCCCC3 1 1.454 4 5 0 -22.3104507694421 3573667 C1CCCN(CC1)C2=C(C(=NC(=N2)NCCOCCO)N)[N+](=O)[O-] 1 0.999 6 4 0 -1.65198646887267 3573646 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.248 3 5 0 -8.82350615861884 3573609 CC1=CC(=O)N=C(N1)NN=CC2=CN(N=C2C3=CC=CC=C3)CCC#N 1 1.983 7 1 0 -11.0746706120706 3573522 CC1(CC(=O)C(C(=O)C1)C(C2=CC=CS2)C3=C(CC(CC3=O)(C)C)O)C 1 2.955 0 4 -0.365728324172575 3573521 CC1=CC=C(S1)C(=O)NC(C)C(C2=CC=CS2)N3CCCC3 1 3.573 2 1 -6.40560991181994 3573405 C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)COC3=CC=C(C=C3)Cl)F 1 2.613 4 4 0 -20.8292042533299 3573346 C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=C(O3)C4=CC=CC=C4Cl 1 4.402 2 2 -3.28619141445719 3573345 CCCCCC1CCC(CC1)C2=NNC(=S)N2C 1 4.64 3 0 -5.79130677969615 3573248 C1CC(=O)NN=C1C(=O)OCC(=O)NC2=C(C=CS2)C#N 1 -0.322 4 4 0 -26.5221377818808 3573130 CC1=CC(=CC=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CN=CC=C2 1 3.628 3 1 -17.1009156021574 3573094 C1CCC(CC1)NC2=NC(=NC=C2F)Cl 1 2.845 3 0 -1.07627640900921 3573002 CCNC(=S)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CS3 1 2.056 4 2 -24.9185403191224 3572986 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)NC=O 1 2.622 2 2 -9.93897232709592 3572969 CC1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3F 1 4.224 1 4 -8.82425836384915 3572963 C1CN(CCC1C(=O)NN=CC2=C(C=C(C=C2)Cl)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.641 4 1 5.44191312214275 3572958 COC1=CC=C(C=C1)C(NC2=CC=CC=C2)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4 1 6.245 1 4 -4.60665766545978 3572947 COC1=CC(=CC(=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)OC 1 1.946 4 5 0 -14.6878195571906 3572919 CCC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3 1 3.098 2 3 -9.27982163122026 3572890 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CN4C=C(C=N4)[N+](=O)[O-] 1 2.102 7 4 0 -17.4124731223455 3572885 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=C2)OC)OC 1 1.538 2 7 0 -16.7772852214645 3572838 CC1=CC(=C(C(=C1O)S(=O)(=O)C2=CC=C(C=C2)OC)C)NS(=O)(=O)C3=CC=CC=C3 1 4.134 1 6 0 -3.83168608094894 3572814 C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCO)C(=O)NCCO 1 1.915 4 4 0 -10.3095647853051 3572805 CC1=CC2=NC(=C(N2C=C1)C(=O)CSC3=C(C=C(C=C3)Cl)Cl)C 1 4.894 2 1 -2.86137267918145 3572801 CC1=CC2=NC(=C(N2C=C1)C(=O)CSC3=CC=CC=C3)C 1 3.565 2 1 -3.69586462376672 3572794 CCCCCC1CC(OC1=O)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.371 2 5 0 -8.82210734987798 3572750 C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.566 4 3 0 -5.61923413541023 3572713 CC(C)CCNC(=O)C1=CC=C(O1)CS(=O)(=O)CC2=CC=CC=C2F 1 3.413 1 4 -13.4719812945922 3572482 CCC1CCCCN1CC(=O)C2=CC=C(C=C2)OC(F)F 1 4.199 1 2 -2.38040329424567 3572354 CN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3 1 0.925 3 3 0 -15.0429178882502 3572352 CN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.13 3 3 0 -13.4350312235488 3572303 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(SC(=C2C)C)NC(=O)C 1 0.346 2 6 0 -26.6362596625966 3572262 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3CCCO3)C(=O)CC4=CC=CS4 1 4.437 2 3 -26.2481621283149 3572223 CC(C(=O)NC1=CC=CC=C1)SC2=NC(=NC(=N2)N(C)C)NCC3=CC=CC=C3 1 3.633 6 1 0 -9.74022801947867 3572108 CC1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6 1 3.171 8 3 0 -13.9419748606528 3572011 C1CN(C(=N1)SCC2=CC(=CC=C2)F)C(=O)C3=CC=C(O3)Br 1 4.06 2 2 -10.7207808664867 3572010 C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NN=C(O3)CNC(=O)C4=CC=CO4 1 1.929 5 4 0 -18.8111264528444 3571999 CCOC(=O)C1CCCN(C1)C2=CC(=O)N(C(=O)N2)C3CCCCC3 1 2.611 3 4 0 -10.7790268688341 3571971 CC1=C(C=C(C=C1)[N+](=O)[O-])N=C(C2=CC(=CC=C2)[N+](=O)[O-])N3CCOCC3 1 3.043 4 5 0 -5.43660869935088 3571956 CN1C=C(C(=N1)C(F)(F)F)C(=O)NCCCC(=O)NCC2=CC=CC=C2 1 2.271 4 2 -16.2145951223076 3571953 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CCN(CC2)CC3=CC(=CC=C3)F 1 3.726 3 3 1.62929207324703 4822567 C1CN(CCN1C2=CC=CC=N2)C(=O)CCCN3C4=CC=CC=C4OC3=O 1 2.399 4 3 0 -5.04206043221887 4822535 COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.286 2 5 0 -21.0264553112599 4822452 COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCC3 1 2.34 2 5 0 -19.7693157227117 4822373 C1CN(CCC1C(=O)NC2=NC=CS2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.406 3 3 0 -13.0515430465284 4822267 C1=CC=C(C=C1)NC(=O)CCCN2C3=CC=CC=C3OC2=O 1 2.751 2 3 -7.16083570129806 4822263 C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 2.78 3 4 0 -19.8802339256727 4822256 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCOC3=CC=CC=C3 1 2.025 3 3 -9.62101198656428 4822148 C1CN(CCC1C(=O)N2CCC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4 1 2.484 2 3 -21.687168547606 4822129 C1CN(CCC1C(=O)NC2=NC=CS2)S(=O)(=O)C3=CC=CC=C3 1 1.201 3 3 0 -14.6594297112298 4822080 CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)C3CC3)C)[N+](=O)[O-] 1 2.715 3 4 0 -8.96876386431376 4821996 CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NNC(=N3)N 1 1.784 5 1 0 -7.19750682988558 4821692 CC1=C(SC2=C1C(=NC(=N2)C)SC(C)C(=O)N3CCC4=CC=CC=C43)C 1 4.181 3 1 -15.1038493960198 4821558 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(C=CC=C3C)C(=C2)C 1 3.191 2 3 -16.1818670784529 4821439 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC3=CC=CC=C3C#N 1 2.08 2 4 -17.259424585677 4821114 CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)N(CC(C)C)C3CCS(=O)(=O)C3)C 1 2.745 3 3 -24.9521237013937 4820817 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=CC=CO4 1 2.638 5 3 0 -11.8046563934001 4820768 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=CC4=C(S3)CCCC4 1 3.066 3 3 -10.5384882534567 4820691 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2CCCC2)N 1 0.417 4 4 0 -7.87259688421067 4820653 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)C 1 2.887 3 5 0 -9.35713089754935 4820626 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CN(CC2=CC=CO2)C(=O)C3=C(C=C(C=C3)F)F 1 3.999 2 3 -9.16161266230367 4820619 C1=CC=C(C(=C1)C(=O)N(CC2=CC=CO2)CC(=O)NC3=CC=CC=C3C(F)(F)F)F 1 3.793 2 3 -12.7740158596955 4820617 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CN(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.482 3 5 0 -14.7481312016689 4820601 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC3=C(S2)CCCC3 1 3.2 2 3 -9.64620982081975 4820583 CC(C1=CC=C(C=C1)F)NC(=O)CC2=CC=CC=C2F 1 3.444 1 1 -10.2453250053338 4820574 CC(C1=CC=C(C=C1)F)NC(=O)C2=CC=C(C=C2)F 1 3.41 1 1 -7.51535831183773 4820565 CN(CC1=CC=CC=C1OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.615 2 5 0 -21.680429405963 4820506 C1CCC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.039 2 3 -17.1408455777289 4820330 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 0.97 3 4 0 -12.5492797600522 4820009 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SC(C)C(=O)N 1 1.972 5 2 0 -11.4838271910559 4819933 CC(C(=O)N)SC1=NN=C(N1C)C2=CC=C(C=C2)C(C)(C)C 1 3.146 4 1 -1.76356604969935 4819774 CC(C)C(C)(C#N)NC(=O)CSC1=NN=CN1C2=CC=CC=C2 1 2.489 5 1 -14.8427376057522 4819555 CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=C(N2)C=C(C=C3)OC 1 3.615 4 2 -7.13287580681055 4819460 CC(C(=O)NC1(CCCCC1)C#N)SC2=NC=CC=N2 1 2.316 4 1 -8.80347829155749 4819449 C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3S2 1 3.715 3 1 -10.2143614797917 4819309 CC(C(=O)N1CCC2=CC=CC=C21)SC3=NC=CC=N3 1 2.515 3 1 -11.8005288699348 4819306 CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NNC(=N3)N 1 2.476 5 1 -6.62639968708989 4819234 COCCNC1=NN=C(S1)SCC(=O)NC2CCCCC2 1 1.51 4 2 0 -22.5202517064671 4819188 CCC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCOCC4 1 3.986 3 4 0 -20.900336193752 4818875 CN(CC(=O)NC1=CC=C(C=C1)Cl)CC(=O)NC(=O)NC2CCCCC2 1 2.319 4 3 0 -8.09948992645828 4818871 CN(CC(=O)NC1=CC=C(C=C1)Cl)CC(=O)NC2=CC=CC3=CC=CC=C32 1 3.165 3 2 -4.39787998179271 4818807 CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=CC=CC=C3F)Cl 1 4.873 1 2 2.40990350704666 4818746 C1CN(C2=CC=CC=C21)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 1.821 3 3 0 -24.4983240037772 4818724 C1CN(C2=CC=CC=C21)C(=O)CN3CCN(CC3)C4=CC=CC=C4F 1 3.072 3 1 -6.16356144634942 4818687 CC(C(=O)N1CCC2=CC=CC=C21)N3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 2.092 3 3 -26.2022878733561 4818686 CC1CC(CN(C1)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C 1 1.996 3 3 0 -24.0051543022747 4818617 CC1CCCCN1CC(=O)NC(=O)NCC2=CC=CC=C2 1 2.038 3 2 -9.63873878090982 4818601 CC1CCCCN1CC(=O)NC2=CC=CC=C2SC 1 2.793 2 1 -12.413332185786 4818596 CC1CCCCN1CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC 1 2.615 3 4 0 -12.2611973797797 4818581 CC(C(=O)N1CCC2=CC=CC=C21)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 4.293 3 1 -4.97252940162974 4818559 C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)F)F)C3=CC=CC=N3 1 2.385 4 1 -1.69345495393765 4818357 CN(CC(=O)NC(=O)NC1CCCCC1)C2=CC=CC=C2 1 2.69 3 2 -7.79421216492975 4818260 C1CN(CC2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 4.734 2 2 -5.61073876156178 4818076 CC1=NC(=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-] 1 2.302 3 4 0 -12.7247496034015 4818072 CC1=NC(=C(C=C1)OCC(=O)N(C)CC2=CC=CC=C2)[N+](=O)[O-] 1 2.228 3 4 0 -10.9711402760984 4817928 C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4 1 3.559 3 3 -28.3186084430628 4817900 CC1=NN=C(S1)SC(C)C(=O)NC2CCCCC2 1 2.508 3 1 -15.6322818638863 4817797 CC(C(=O)NC1CCCCC1)SC2=NC3=C(N2)C=C(C=C3)OC 1 3.814 3 2 -8.0262333323252 4817615 CC(C(=O)N(C)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4 1 3.921 3 3 -19.0957251135673 4817571 CC1=NC(=C(C=C1)OC(C)C(=O)N(C)C2=CC=CC=C2)[N+](=O)[O-] 1 2.705 3 4 0 -7.75263782439237 4817566 CC1=NC(=C(C=C1)OCCOC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 2.994 2 5 0 -2.94574886396785 4817556 CC1=NC(=C(C=C1)OCC(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-] 1 2.399 3 4 0 -12.7401337653516 4817380 CCCN1C(=CC(=C1C)C(=O)COC2=C(N=C(C=C2)C)[N+](=O)[O-])C 1 3.098 3 4 0 -9.35058315689676 4817377 CC1=NC(=C(C=C1)OC(C)C(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.705 3 4 0 -10.9220627746362 4817371 CC1=NC(=C(C=C1)OCC(=O)N(CC2=CC=CC=C2)C(C)C)[N+](=O)[O-] 1 2.954 3 4 0 -10.8090046826184 4817366 CC1=NC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.22 3 4 0 -7.11777238646962 4817106 CC1=NC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 2.679 3 4 0 -6.00765072134806 4817035 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCNC(=O)C3=CC=CO3 1 1.335 3 6 0 -27.5623702147121 4817014 C1=CC=C(C=C1)NC(=O)CCNC(=O)C2=CC=CO2 1 1.317 2 3 0 -12.1459392486939 4816931 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CSC=C3 1 2.678 2 4 -23.3129766754706 4816803 C1COCCN1C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC=C3Cl 1 3.496 2 3 -3.86480604913927 4816786 CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3Cl 1 3.326 2 2 -2.79621172185388 4816593 CC(C(=O)NCCC1=CCCCC1)SC2=NC(=CC(=N2)N)N 1 2.57 5 1 -12.9312944887778 4816325 CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3CCCC3 1 2.839 4 3 0 -7.95305054812703 4816077 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)C4=CC=CC=C4O 1 3.19 4 3 0 -2.11648250394159 4816029 CC(C)CNC(=O)NC(=O)CSC1=NC2=CC=CC=C2N1CC(C)C 1 3.858 4 2 -16.2985688089159 4815784 CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)C4CC4 1 2.654 5 2 0 -13.9927737951182 4815729 CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC=CC=C43 1 4.035 3 2 -16.7575345514606 4815728 CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC=CC=C43 1 3.442 3 2 -16.070130231979 4815510 C1CCC(CC1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.098 3 4 0 -17.485860575152 4815411 COC1=C(C=C(C=C1)CSC2=NN=NN2C3=CC=C(C=C3)O)F 1 3.33 4 2 -13.6259444663579 4815355 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4 1 2.576 4 3 0 -17.3577575731388 4815329 CCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2N1CC(C)C 1 3.499 4 2 -12.471452277449 4815304 CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N 1 3.644 3 2 -11.2188026306305 4815174 CC(C(=O)N)SC1=NN=C(N1C2CCCCC2)CC3=CC=CS3 1 3.593 4 1 -14.2902009083843 4815095 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N)C 1 2.081 7 3 0 -15.7111745915083 4814894 CCN(C1CCS(=O)(=O)C1)C(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 0.83 2 6 0 -19.0865773537027 4814821 CC1=CSC(=N1)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 2.182 3 3 -16.7551577404099 4814798 CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=CS3 1 2.14 3 1 -14.2707741010491 4814795 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=CS3 1 2.561 4 1 -11.8842394977716 4814621 CC1=CC=C(C=C1)C(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 2.864 4 4 0 -25.7259968296949 4814487 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3CCCC4=CC=CC=C34 1 2.632 3 3 -9.70628364903078 4814479 CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3CCCC4=CC=CC=C34 1 3.855 5 1 -14.4440743218367 4814310 CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)C3=NC=CC=N3)C)Cl 1 2.467 4 2 -1.29626195989895 4814231 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3N)C4=CC=CO4 1 2.001 5 4 0 -11.9228513468692 4814222 CCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2N1CC(C)C 1 3.015 4 2 -16.0987679027592 4813931 CC(C(=O)NC1=CC=CC=C1)SC2=NN=NN2C 1 1.344 5 1 0 -17.2260419122288 4813924 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(S3)N 1 1.536 4 3 0 -12.6942916146408 4813380 CCCC(C1=CC=CC=C1)C(=O)NC2=NC=CS2 1 3.021 2 1 -8.7509761496002 4813371 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCCOC3=CC=CC=C3 1 3.493 2 5 0 -22.7004189584202 4813262 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)N 1 2.01 6 3 0 -11.0564663321509 4813239 C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC(=O)NCC4=CC=CO4 1 3.279 4 2 -12.5394245764835 4812655 C1COCCN1C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 3.67 2 5 0 -8.09001212662239 4812624 CC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC=C2 1 2.051 1 2 -10.5639291264709 4812329 C1CC2CC1CC2CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F 1 2.417 2 3 -15.1385344277551 4812319 C1CN(CCN1C(=O)CC2=CSC=C2)S(=O)(=O)C3=CC=CC=C3F 1 1.73 2 3 0 -22.4816510706971 4812280 C1CC2CC1CC2CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F 1 3.153 2 3 -13.1116350957855 4812120 COC1=CC=C(C=C1)NC2=NN=C(S2)SCC3CCCCO3 1 3.098 3 2 -11.9399159549542 4812028 CCOC(=O)CN1C(=O)C2(CCCC3=CC=CC=C32)NC1=O 1 1.77 2 4 0 -5.36123724422073 4811995 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCC3=CC=CS3 1 1.356 3 3 0 -14.6262460648137 4811977 CC(C)(C)C(=O)CSC1=NC=NC2=C1C3=C(S2)CCC3 1 4.248 2 1 -17.4531850924461 4811966 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=O)C(=C(C=N4)Cl)Cl 1 2.55 3 2 -2.11809227858144 4811479 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3CCCC3 1 2.285 3 4 0 -11.6864259467513 4811478 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=CN=C3)Br 1 2.732 3 3 -18.6287608791376 4811394 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 1.152 3 5 0 -15.8399548103266 4811381 C1CCC(CC1)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 2.174 2 2 -13.4184646932937 4811318 CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 2.407 3 5 0 -16.8809260030477 4811229 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)C4=CC=CC=C4F 1 2.526 4 5 0 -9.23518423685473 4810994 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.089 2 4 -13.9923583298916 4810920 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CC2CCCC2 1 2.664 2 4 -20.2438939803704 4810884 CCC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.932 2 3 -9.02644661436139 4810868 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC(=CC(=C3)C)C 1 3.251 3 4 0 -18.0098041459101 4810706 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 1.548 4 4 0 -19.6833574580572 4810603 CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.322 2 4 -10.957586931233 4810492 CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.483 2 3 -17.030607990409 4810439 CCC1(C(=O)N(C(=O)N1)CC#N)C2=CC=CC=C2 1 1.33 3 2 0 -5.20393710101478 4810403 C1CN(CC2=CC=CC=C21)C(=O)COC3=CC=CC=C3C#N 1 2.616 2 2 -11.9531155266764 4810383 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 2.125 3 6 0 -14.4561840019808 4810291 CCC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=C(C=C2)F)C3=CC=CC=C3 1 2.448 3 3 -11.3788294611138 4810229 C1CC2=CC=CC=C2C3(C1)C(=O)N(C(=O)N3)CC(=O)NCC4=CC=CS4 1 2.097 3 3 -12.4291718598793 4810213 C1CC2=CC=CC=C2C3(C1)C(=O)N(C(=O)N3)CC(=O)NC4=CC=CC=C4OC(F)F 1 3.156 3 4 0 -6.82890756612484 4810182 COC1=CC=CC=C1NC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 2.334 3 4 0 -8.70447060163823 4810156 COC1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 2.318 3 5 0 -7.66565328258467 4810153 COC1=CC=CC(=C1)NC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 2.334 3 4 0 -5.1579978980518 4810139 CC(C)(C)C(=O)CN1C(=O)C2(CCCC3=CC=CC=C32)NC1=O 1 2.842 2 3 -4.19188396715476 4810122 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl 1 2.589 3 3 -8.12326813992502 4810113 CC1(C(=O)N(C(=O)N1)CC(=O)N(C)CC2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 2.589 3 3 -7.99300736834554 4810079 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4 1 2.402 4 4 0 -5.96346864014867 4809906 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCCCC3C 1 3.229 4 3 0 -22.8773474704394 4809882 CCCC(C)NC(=O)CSC1=NC2=C(N1)C=C(C=C2)C 1 3.681 3 1 -12.4559356365576 4809512 CN(C1CCCCC1)C(=O)CSC2=NN=C(S2)N 1 1.764 4 1 0 -15.143452000412 4809510 C1=CN=C(N=C1)SCC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 2.309 4 3 0 -8.12180597601151 4809024 CCOC1=CC=C(C=C1)C(=O)CN2C=NC3=CC=CC=C3C2=O 1 2.544 2 3 -7.50494045223423 4808770 CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl)SC3=CC=CC=C3 1 3.37 2 3 -17.7847633312821 4808765 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.482 4 3 0 -20.57570736466 4808733 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC 1 2.466 4 4 0 -19.7996324725197 4808726 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43 1 2.596 3 4 0 -23.1617051071876 4808715 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3 1 2.426 3 4 0 -19.7947348907393 4808466 CC1=CC(=C(N1C(C)COC)C)C(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.695 2 4 -5.26147296724462 4808464 CC1=CC(=C(N1C)C)C(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.448 2 3 -2.3923934035642 4808373 CC(C)C(C)NC(=O)CN1C=NC2=C(C1=O)OC3=CC=CC=C32 1 2.18 3 3 -9.17408476388557 4808231 C1=CC=C2C(=C1)C3=C(O2)C(=O)N(C=N3)CC#N 1 1.282 3 2 0 -2.0001000231634 4808157 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC3=CC=C(C=C3)OC 1 1.515 4 4 0 -14.6017385885458 4808156 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC3=CC(=CC=C3)Br 1 2.28 4 3 0 -13.3006877102987 4808155 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC3=CC=C(C=C3)F 1 1.737 4 3 0 -13.3316187827368 4808153 CC1=CC=C(C=C1)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 2.018 4 3 0 -14.0434958082021 4808145 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC3=CC=C(C=C3)Br 1 2.28 4 3 0 -13.6781568627167 4807865 CCC(C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C 1 1.643 3 2 0 -13.6094578207919 4807772 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 1.664 3 6 0 -12.120796831961 4807760 C1CCN(C1)C(CNC(=O)COC2=C(C=C(C=C2)Cl)Br)C3=CC=CO3 1 3.786 2 3 -10.9490786529814 4807729 C1CCN(C1)C(CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=CO4 1 4.356 2 2 -7.55033516711613 4807652 CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCC(C2=CC=CS2)N(C)C 1 3.355 3 3 -18.4769574791308 4807541 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)CCC2=CNC3=CC=CC=C32 1 3.329 3 2 -12.689483940335 4807529 CC1=CC=C(O1)CN(C)C(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 1.165 2 4 0 -13.6831926267656 4807502 CC1=CC=C(O1)CN(C)C(=O)CCC2=CNC3=CC=CC=C32 1 2.939 2 2 -10.9027424334043 4807480 CC1=CC=C(O1)CN(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 2.645 2 4 -17.9987492263768 4807385 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(ON=C3C4=CC=CC=C4)C)C 1 3.347 3 4 0 -17.0411002478412 4807378 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43)C 1 3.585 3 3 -18.1848232181396 4807360 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3)C 1 3.415 3 3 -14.8178530016913 4807280 C1CN(CCN1C(=O)CSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3F 1 2.427 2 3 -19.5843760547018 4807247 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F 1 3.317 3 4 0 -19.0257574970353 4807165 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43 1 3.098 3 3 -22.7487388980435 4807164 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C(=C3)OC)OC)OC 1 2.756 2 6 0 -24.3295353642445 4806920 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCO4 1 3.385 2 4 -8.66415383722506 4806879 C1CN(CCC1CC2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3 1 2.912 2 3 -8.87714386593829 4806855 C1CN(CCN1C2=CC=CC=C2F)C(=O)CCNS(=O)(=O)C3=CC=CC=C3 1 2.089 3 3 -7.91142577418377 4806787 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3)C)C 1 3.238 2 3 -13.1100793865127 4806783 C1CCN(C1)C(=O)CCC2=CNC3=CC=CC=C32 1 2.489 2 1 -9.41835078235712 4806781 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)N3CCCC3 1 2.884 2 3 -10.49526817593 4806777 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3)Cl 1 2.403 2 3 -17.2729824196896 4806735 CCC(C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3 1 3.227 3 2 -14.5628615045524 4806687 C1=CC=C2C(=C1)NC(=N2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br 1 2.728 4 2 -9.61559067744953 4806474 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC3=CC=C(C=C3)Br 1 2.601 3 3 -20.2418068630176 4806444 C1CCC(CC1)NC(=O)NC(=O)CNC2=CC=C(C=C2)Br 1 3.085 3 2 -9.79909747190718 4805883 C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 3.316 2 3 -17.2729824196896 4805877 C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 2.859 2 3 -17.2729824196896 4805705 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CC2=CSC=C2 1 1.428 2 3 0 -14.1879583596303 4805637 C1=CC=C(C(=C1)CNC(=O)C2=CC=NC=C2)F 1 1.676 2 1 0 -9.18199302166212 4805511 COC1=C(C=C(C=C1)NC(=O)CC2=CSC=C2)S(=O)(=O)N3CCCCC3 1 2.329 2 4 -20.1369839003746 4805494 C1=CC=C(C(=C1)NC(=O)CC2=CSC=C2)F 1 2.517 1 1 -8.1040977426879 4805391 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC2=CC=C(C=C2)F 1 1.903 3 3 0 -21.2344319385736 4805360 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CC2=CSC=C2)C 1 2.612 2 3 -16.202633701458 4805359 CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=CC=CC=C3 1 1.315 4 2 0 -6.75305516400416 4805352 C1CCCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 4.27 2 3 -11.5717664948668 4805349 C1CCCC(CC1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 3.903 2 2 -5.82663878651209 4805348 C1CCCC(CC1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Cl 1 3.325 2 2 -13.5694640972079 4805275 C1CS(=O)(=O)CC1NC(=O)COC2=CC(=C(C=C2)Cl)Cl 1 1.709 1 4 0 -12.79843967975 4805097 CC1CC2=CC=CC=C2N1C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C 1 1.194 5 3 0 -22.6124220485422 4805087 CC(C(=O)N1CCC2=CC=CC=C21)N3C=NC4=C3C(=O)N(C(=O)N4C)C 1 1.301 5 3 0 -22.0631267353222 4805006 CC1CC(CN(C1)C(=O)CSC2=NN=C(S2)N)C 1 1.462 4 1 0 -16.2579783926693 4804971 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 3.269 2 4 -7.47081839494725 4804834 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)[N+](=O)[O-] 1 2.76 2 6 0 -14.2471308604639 4804768 CCC1(C(=O)N(C(=O)N1)CC(=O)N2C(CC3=CC=CC=C32)C)C4=CC=C(C=C4)F 1 3.099 3 3 -8.56397333087314 4804767 CCC1(C(=O)N(C(=O)N1)CC(=O)N2CCC3=CC=CC=C32)C4=CC=C(C=C4)F 1 2.722 3 3 -11.0707060903835 4804495 CCC1(C(=O)N(C(=O)N1)CC(=O)N(C)CC2=CC=CC=C2)C3=CC=CC=C3 1 2.449 3 3 -11.5416001515825 4804463 CCC1(C(=O)N(C(=O)N1)CC(=O)N2CC(=O)NC3=CC=CC=C32)C4=CC=CC=C4 1 1.248 4 4 0 -13.6719429411179 4804361 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.12 4 3 0 -6.37552694559891 4804299 CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC(=CN=C2)Br 1 2.746 2 3 -15.0205502010044 4804274 COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 1.199 5 4 0 -27.990111858095 4804263 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3=C(C=C(C=C3)O)O 1 3.608 1 6 0 -4.90530793607773 4804238 CC1=NC=C(N=C1)C(=O)OCC2=CC=C(C=C2)Br 1 2.427 2 2 -7.70111539612049 4804237 CC1=NC=C(N=C1)C(=O)OC(C)C(=O)C2=CC=C(C=C2)Cl 1 2.499 2 3 -9.20283402842808 4804232 CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32)F 1 3.341 2 3 -7.07804039612551 4804227 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C 1 3.948 3 3 -11.0041896619025 4804225 COC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(S2)CCC3 1 3.185 1 4 -11.261665461195 4804180 CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)OC 1 3.046 4 5 0 -14.40841441611 4804178 CC1CCCCC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)OC 1 3.892 2 4 -18.6378565500836 4804073 CN1C(=O)C2=C(N=C(C=C2C(=O)OC)C3=C(C=CC(=C3)OC)OC)N(C1=O)CC4=CC=CC=C4 1 3.718 3 6 0 -10.0693845464278 4804048 COC1=CC=CC(=C1OC(F)F)C2=NC3=C(N2CCO)C(=O)NC(=O)N3CC4=CC=CC=C4 1 3.452 4 5 0 -3.28527927052329 4804010 C1CN(CCN1C(=O)C2=CC(=O)NC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)Cl 1 1.875 3 4 0 -22.2847087480758 4804004 CC1CCCN(C1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.231 2 3 -13.9220776420916 4803987 CC1=CSC(=N1)SCC(=O)NC(C)C2=CC=CC=C2 1 2.672 2 1 -18.9411604251383 4803972 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Br 1 2.229 3 5 0 -8.63465934459037 4803961 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)C 1 3.852 4 3 0 -18.5065349173117 4803940 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCOC3=CC=CC=C3 1 3.509 2 4 -20.7390890735442 4803936 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)F)S(=O)(=O)N3CCOCC3 1 2.775 2 4 -19.5002955351555 4803920 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4COC5=CC=CC=C5O4 1 3.247 3 5 0 -20.5763552597187 4803895 CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3 1 2.577 1 6 0 -15.1867600065194 4803894 CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3)C 1 3.2 2 5 0 -22.4771588320716 4803881 CC1=C(C(=CC=C1)NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32)C 1 4.078 2 3 -11.1300300312063 4803880 C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F 1 4.048 2 3 -13.0687937401647 4803868 C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)C3=CC=CC=C3O 1 2.988 1 4 -7.17195701606012 4803864 CC1=CC=C(O1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 1.896 2 6 0 -19.4192472430641 4803824 C1CCCC(CC1)NC(=O)COC(=O)C2=C(C=C(C=C2)O)O 1 2.575 1 5 -6.99457338410667 4803803 CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CN2C(=O)C3CCCCC3C2=O 1 2.373 2 5 0 -10.8716001197416 4803802 CC1=CC(=C(C=C1)OC)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.708 2 4 -5.50051528609077 4803796 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)Br 1 3.016 3 4 0 -18.4838317039057 4803760 CC(=O)NC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 1.868 4 3 0 -11.2021117515273 4803745 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O)N3CCCCC3 1 3.784 2 5 0 -23.5588729325705 4803712 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=CC(=C2)C(=O)OC 1 1.813 2 6 0 -15.6796063393506 4803685 CC1=CC=C(C=C1)CNC(=O)CCCC2=CNC3=CC=CC=C32 1 4.348 2 1 -14.089477550374 4803680 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=CC=C(C=C3)NC(=O)C 1 2.255 3 4 0 -21.3039240288521 4803637 CC1C2=CC=CN2CCN1S(=O)(=O)C3=CC=C(C=C3)C(=O)C 1 1.95 2 3 0 -21.7300319474799 4803636 CC1C2=CC=CN2CCN1S(=O)(=O)C3=CC=CC(=C3)C(=O)C 1 1.95 2 3 0 -21.0887732614571 4803625 CC(C)(C(=O)NCC(C1=CC=C(C=C1)OC)N2CCCC2)OC3=CC=C(C=C3)Cl 1 4.529 2 3 -10.4106355309736 4803623 CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)CN2CCCCCC2=O 1 1.155 2 5 0 -22.2267797850445 4803622 COC1=CC=C(C=C1)C(CNC(=O)CC2=CC=CC=C2)N3CCCCC3 1 3.724 2 2 -16.3281750916927 4803621 CN(C)C1=CC=CC(=C1)C(=O)NCC(C2=CC=CO2)N(C)C 1 2.239 3 2 -11.0774984472394 4803620 CN(C)C(CNC(=O)C1=CC(=CC=C1)C(F)(F)F)C2=CC=CO2 1 3.019 2 2 -4.11260905411677 4803612 CC1=CC=CC=C1OCC(=O)N(CC2=NN=C(O2)C3=CC=C(C=C3)Cl)C(C)C 1 4.032 3 3 -6.80700404220948 4803595 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CN2C3=CC=CC=C3OC2=O 1 1.934 3 4 0 -11.1095414490565 4803594 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CC3 1 -0.139 3 4 0 -25.6161213227377 4803591 CCCCOC1=CC=C(C=C1)C(=O)NCC2(CCCCC2)N3CCOCC3 1 3.891 2 3 -11.7970641076407 4803579 CC1=NN(C(=C1C(=O)NCC2=CC=CC=C2F)Cl)C3=CC=CC=C3 1 3.795 3 1 -8.89932875419318 4803575 CN(C)C(CNC(=O)C1=CC2=C(C=C1)OCCO2)C3=CC=C(C=C3)OC 1 2.558 2 4 -8.70674506422333 4803562 CN1CCCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OC 1 0.258 3 4 0 -9.86058702082848 4803554 CC1=NC=C(N=C1)C(=O)N(C)CC2=C(C(=C(C=C2)OC)OC)OC 1 1.188 3 4 0 -11.7803237610376 4803538 CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCC3=CC=CC=C3OC 1 4.117 2 5 0 -19.6802877592507 4803532 CC(C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.756 2 5 0 -14.2438582065779 4803512 CN(CC1=C(C=C(C=C1)OC)OC)C(=O)C23CC4CC(C2)CC(C4)C3 1 3.685 1 3 -0.639801909653342 4803473 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CN2C3=CC=CC=C3OC2=O 1 2.683 2 5 0 -10.8980664217837 4803470 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4 1 4.515 3 3 -17.3239695896737 4803469 CCOC1=CC=C(C=C1)OCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.608 2 5 0 -19.9806585016609 4803461 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=CC3=C(C=C2)OCCO3 1 2.265 2 4 -13.3742475963412 4803460 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4OC 1 2.441 4 5 0 -12.9978477227396 4803459 CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)SC3=NNC(=N3)N 1 3.086 5 1 -0.977530966567941 4803452 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 3.343 3 4 0 -24.2602013133938 4803444 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC3=NC=CN=C3 1 2.899 3 2 -4.80749233238598 4803429 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=C(C=CC=C3Cl)Cl 1 2.551 2 5 0 -10.6393627088745 4803339 COC1=C(C=C(C=C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OC 1 2.194 2 5 0 -22.3166721377813 4803320 COC1=CC=CC(=C1)NC(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 2.931 3 4 0 -7.40613811043799 4803318 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)Cl 1 2.744 2 4 -9.44906935461063 4803315 CC1=CC(=CC=C1)NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32 1 3.592 2 3 -10.2486437497832 4803237 COC(=O)C1=C(C=CS1)NC(=O)NC2=C(C=C(C=C2)F)F 1 2.742 2 3 -7.44185517485953 4803230 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=CC(=C3)C 1 3.205 2 4 -20.1576024890873 4803225 CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 3.052 1 5 -9.48458035235539 4803221 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3C 1 3.022 2 4 -14.0751989569688 4803206 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C 1 3.948 3 3 -11.5424692860129 4803205 CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C 1 3.446 3 4 0 -11.5507417097594 4803186 CCSC1=NN=C(S1)NC(=O)CCN2C(=O)C3CCCCC3C2=O 1 1.67 4 3 0 -21.4573754916628 4803182 CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=C(SC(=C2C)C)NC(=O)C)C 1 3.017 3 4 0 -20.4264005820229 4803180 CC1CCCC(C1C)NC(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 3.695 2 5 0 -26.6701218927228 4803161 CC1=CC=CC=C1NC(=O)COC(=O)COC2=CC3=C(CCC3)C=C2 1 3.7 1 4 -13.6211021654593 4803157 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)OC)OC)C 1 2.943 3 5 0 -16.5605463419592 4803140 CSCCC(C(=O)NNC(=O)C1=CC=NC=C1)NC(=O)C2=CC=CC=C2Br 1 1.34 4 3 0 -17.542387055659 4803126 CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC 1 3.433 3 2 -10.706207959866 4803087 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3C 1 2.565 2 4 -14.0240574155235 4803082 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C(=CC=C3)Cl)C 1 3.23 2 4 -10.2034256243977 4802988 COC1=CC=CC(=C1)CNC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 3.844 1 4 -10.9470718049282 4802979 CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.392 5 3 0 -20.1916215081621 4802971 CC1=C(C=CC=C1Cl)NC(=O)COC(=O)CC2=CSC=C2 1 3.169 1 3 -9.38249647126295 4802969 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCCCC2)OC 1 3.026 1 5 -16.8904841725968 4802938 COC1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.894 2 5 0 -23.1458294754085 4802872 CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2CCCCCCC2 1 2.636 2 4 -15.8487543111222 4802839 COC1=CC(=CC(=C1)C(=O)OCC(=O)NC2CCCCCC2)OC 1 3.026 1 5 -14.0631679380565 4802836 CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 3.328 2 5 0 -22.3662735933788 4802825 CC(C(=O)N(C)CC1=CC=CC=C1)SC2=NC3=CC=CC=C3S2 1 4.33 2 1 -3.85885320022986 4802811 CCOC1=CC=C(C=C1)CN(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC 1 3.837 2 5 0 -14.3631537590427 4802763 CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 3.224 2 5 0 -19.533509407389 4802718 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC3=CC(=CC=C3)F 1 2.919 3 2 -1.73920348387737 4802695 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)O 1 2.531 2 5 0 -5.59391695180294 4802652 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=C(C=C(C=C3)O)O 1 3.624 1 5 -5.22987718615627 4802619 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C2=NC3=CC=CC=C3C=C2 1 3.824 3 2 -9.21477454865428 4802595 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=C(C=C(C=C3)Cl)N 1 2.754 3 6 0 -10.4012661838573 4802593 CCC1=NN=C(S1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl 1 2.701 4 2 -9.83882826062676 4802513 CC1CCCC(C1C)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)OC 1 3.822 1 4 -11.2664156927885 4802508 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CC3=CC=C(C=C3)Br 1 2.197 3 4 0 -19.3183867197744 4802503 CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NC2CCCCCC2)Cl 1 4.045 1 4 -10.8706992290894 4802539 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 4.988 2 5 0 -7.84459127468987 4802460 C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=C(O3)Br 1 2.108 3 5 0 -9.47710455567619 4802461 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.405 3 4 0 -19.8240078791774 4802465 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)F)Cl 1 2.617 2 4 -20.735578664157 4802473 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CNC4=CC=CC=C43 1 2.77 3 3 -20.1423020850896 4802476 CCN1C2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3OC)N(C)C)N=N1 1 2.932 5 2 0 -14.0668335424843 4802480 COC1=CC=CC=C1N2CCN(CC2)C(=O)CCNC(=O)C3=CC=CO3 1 1.56 3 4 0 -10.9332521791113 4802448 CCOC1=CC=CC=C1NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.078 3 5 0 -18.4556789370342 4802445 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N2CCCCCC2 1 3.077 2 2 -9.02491451516731 4802443 CC(C)(CNC(=O)C1=CC(=C(C(=C1)Cl)O)Cl)N2CCCCC2 1 3.763 2 2 -5.44813529785921 4802437 CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC(=CC=C3)OC 1 2 2 3 0 -10.5183362271287 4802434 CC1=C(C(=NO1)C)C(=O)NC2=CC=C(C=C2)N(C)C 1 1.659 3 2 0 -12.1409765846444 4802412 CC1=CC=CC=C1OCC(=O)OCC(=O)NC2CCCCCC2 1 3.381 1 4 -11.7651887619363 4802404 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CC=CC=C3 1 3.016 2 4 -21.8793325327858 4802379 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F 1 3.754 2 5 0 -24.7094972178444 4802366 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3COC4=CC=CC=C4O3 1 2.205 3 4 0 -11.0316823745185 4802353 CCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2CCCCCCC2 1 3.848 1 4 -12.3100783134938 4802338 CC1CC2=CC=CC=C2N1C(=O)COC(=O)COC3=CC(=C(C=C3)C)C 1 3.787 1 4 -11.5481947894276 4802291 COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3)OC 1 2.074 1 7 0 -18.1206420753654 4802286 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2F)S(=O)(=O)N3CCCCC3 1 3.047 2 5 0 -20.8324406333082 4802278 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NCC3=CC(=C(C=C3)OC)OC 1 2.95 3 5 0 -17.6254121580658 4802228 COC1=CC(=C(C=C1)Br)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 2.151 2 5 0 -18.9829018598288 4802224 C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=C(N=CC=C3)Cl 1 3.199 3 5 0 -20.9907617057813 4802213 C1CN(CCN1C(=O)C2=CN=C(C=C2)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.337 3 5 0 -24.1936987329085 4802162 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=NC4=CC=CC=C43 1 3.375 3 3 -9.36409032084411 4802141 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3COC4=CC=CC=C4O3 1 2.729 3 4 0 -11.9471959530116 4802134 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CC(=C(C=C3)Cl)Cl 1 2.782 2 4 -18.2295943909861 4802116 C1CC2(N(C1=O)C(CS2)C(=O)OCC(=O)N)C3=CC=C(C=C3)F 1 0.672 2 4 0 -6.37225381631781 4802105 CN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl 1 2.274 5 3 0 -30.5912360968914 4802096 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3CCCO3)C)C 1 2.073 3 3 -26.8859283327909 4802036 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CN=C(C=C2)Cl 1 2.575 3 2 -11.7295446318132 4802033 CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(=O)NC2CCCC2 1 3.133 1 4 -7.6529026247513 4802014 COC1=CC=CC=C1N(CC=C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CS3 1 3.655 2 4 -28.2030921265422 4802009 C1COC2=C(O1)C=CC(=C2)SCC(=O)NCC3=CC=CC=C3 1 2.8 1 3 -12.9507639687144 4801987 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NN=C(S2)C 1 0.692 4 4 0 -18.8786915301496 4801974 CC1CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)OC)N(C)C 1 3.126 3 4 0 -20.0713645810426 4801972 CC1=NC2=CC=CC=C2C(=C1)C(=O)N(C)CC3=CC=CC=C3OC 1 3.28 2 2 -5.04246461481252 4801957 CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC3=CC(=CC=C3)F 1 2.989 2 3 -7.15330936444734 4801946 CCC1=CC=CC=C1OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.97 2 4 -19.4634105350297 4801942 COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2)S(=O)(=O)N3CCCCC3 1 3.026 2 4 -18.919731544252 4801940 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.55 3 4 0 -10.3032440684198 4801932 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCCOC3=CC=CC=C3F 1 4.069 1 4 -7.42049728862382 4801930 C1CCC(C1)C(=O)N(CCCO)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 0.781 4 4 0 -5.23041414092154 4801923 C1CCN(C(C1)CCO)CC(COCC2=CC=C(C=C2)Cl)O 1 2.395 1 3 -2.50692863027996 4801907 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3Cl 1 2.118 2 4 -20.4452447112207 4801889 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2COC3=CC=CC=C3O2 1 2.139 2 4 -7.30835437290368 4801888 COC1=C(C=C(C=C1)NC(=O)CC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 3.331 2 4 -16.0665261623234 4801879 COC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.183 2 4 -23.971875954339 4801836 CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(=O)NC2CCS(=O)(=O)C2 1 1.238 1 6 0 -14.1017058064076 4801803 CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)NC3=CC=CC=C3Cl)C 1 4.081 3 1 -13.3352469909558 4801740 C1CCC(CC1)CC(=O)OCC(=O)NC2=C(C=CC=C2Cl)Cl 1 4.358 1 3 -8.88714455955442 4801733 COC1=C(C=C(C=C1)CC(=O)OCC(=O)N2CCC3=CC=CC=C32)OC 1 2.604 1 5 -17.4807632170354 4801661 CC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CO3)O 1 1.457 2 5 0 -9.88104488898896 4801638 CCC1=CC2=C(N=C(N=C2S1)C)NC(CC3=CC=CC=C3)C(=O)O 1 3.749 3 2 -9.60128819785679 4801589 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=CC=C3F 1 3.294 2 4 -21.0626543185443 4801543 CC1=CC(=CC=C1)OC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 3.91 2 4 -21.313344791391 4801541 CC1=CC(=CC=C1)OC(C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C 1 3.94 2 4 -21.6129537965844 4801539 CC1=C(C=C(C=C1)NC(=O)CC2=CC=CC=C2F)S(=O)(=O)N3CCCCCC3 1 3.831 2 3 -19.6140228557186 4801538 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2F)S(=O)(=O)N3CCCCCC3 1 3.796 2 3 -17.6057065440937 4801530 CC1CCCC(N1C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)C)C 1 4.513 1 4 -12.8505410927903 4801529 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CN=C(C=C3)Cl 1 2.079 3 5 0 -24.4202312505979 4801528 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(O2)Br 1 2.669 1 4 -13.2951245503892 4801524 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CS2 1 2.659 1 3 -15.2520287290521 4801505 CCC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC2=CC=CC=C2OC(F)F)CC 1 2.038 3 6 0 -11.8804908141408 4801497 CC1=CC(=CC=C1)NC(=O)COC(=O)COC2=CC3=C(CCC3)C=C2 1 3.7 1 4 -9.30860174035955 4801479 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C#N 1 2.308 3 3 -18.4509794548678 4801474 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=C(ON=C3C)C 1 2.011 3 5 0 -14.8949091703144 4801472 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2COC3=CC=CC=C3O2 1 2.625 2 4 -9.08699605659876 4801470 COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3)OC 1 3.298 0 6 -15.1497631765976 4801465 C1C(OC2=CC=CC=C2O1)CNC(=O)COC3=CC=C(C=C3)C#N 1 2.215 2 4 -11.4142302916123 4801455 COC1=CC=C(C=C1)CCNC(=O)CSC2=NNC(=N2)N 1 1.396 5 2 0 -11.3815935561727 4801430 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CC(=CC=C3)C(F)(F)F 1 3.609 2 4 -16.859340932765 4801412 CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCC2=CC=CC=C2OC 1 3.478 2 3 -21.9139677453432 4801384 CC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.918 3 4 0 -18.8461260259057 4801368 CC1=CSC(=N1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 0.951 3 4 0 -8.14588148591566 4801356 CC1=C(C(=NO1)C)C(=O)NC2=NC(=CS2)C3=CC=CS3 1 2.394 3 2 -7.41076695935144 4801325 COC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)OCC3CCCO3 1 2.947 1 4 -15.0536344854533 4801293 CC1=CC(=CC=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CS2)C3=CC=C(C=C3)OC 1 3.376 2 4 -20.7392094867525 4801283 C1CCCC2(CCC1)C(=O)N(C(=O)N2)CC(=O)NC3CCCC4=CC=CC=C34 1 3.545 3 3 -9.70628364903078 4801278 CC1=CC=C(C=C1)OCCOC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 3.687 2 6 0 -19.2586006663597 4801277 CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 3.347 2 5 0 -22.199586022638 4801274 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CS2)C3=CC=CC=C3 1 3.393 2 3 -19.7616702359841 4801271 CC(C)CC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.781 4 4 0 -11.5967745351291 4801251 COC1=NC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.791 3 5 0 -23.4755807864451 4801250 CC(C)(C(=O)NC1=CN=C(C=C1)OC)OC2=CC=C(C=C2)Cl 1 3.282 2 3 -3.28360327329281 4801248 CC1=CN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC 1 2.434 3 4 0 -14.1370200037568 4801245 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC=CS3 1 2.289 3 4 0 -15.518406928661 4801230 COC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)OC 1 2.914 3 5 0 -6.71193330732805 4801220 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=CC4=C(C=C3)OCCO4 1 3.314 2 5 0 -23.2653110828976 4801216 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)CC3=CC(=C(C=C3)OC)OC 1 3.642 2 6 0 -20.6411814357351 4801187 C1CCC(C1)NC(=O)COC(=O)COC2=CC=CC=C2C#N 1 1.861 2 4 0 -14.0115018955306 4801186 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)COC3=CC=CC=C3C#N 1 1.804 2 6 0 -14.3111717619476 4801151 CC1=CC=CC=C1CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.635 1 3 0.270321341778978 4801137 CN(CC(=O)NCCC1=CC=C(C=C1)F)CC(=O)NC2=CC=C(C=C2)OC 1 2.11 3 3 -10.0372625202485 4801125 CC1CCCC(C1C)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 3.208 2 5 0 -27.7233519514719 4801097 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F 1 2.842 2 5 0 -24.3550287036763 4801090 CC1CCN(CC1)C(=O)COC(=O)COC2=CC=CC=C2C#N 1 1.834 2 4 0 -15.7139923473772 4801078 CC(C)CC1C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)F)F 1 1.808 3 3 0 -11.7535729343591 4801055 CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3COC4=CC=CC=C4O3 1 3.185 3 4 0 -13.6613180996218 4801041 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=NC5=C(S4)C=C(C=C5)F 1 2.503 3 4 0 -4.11419917427689 4801024 COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OCC3CCCO3)Cl 1 3.605 1 4 -10.4755672574388 4800998 C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=CC=C3 1 3.241 2 3 -13.6698395611412 4800997 CC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C(=O)NCC3=CC=CC=C3 1 3.727 2 3 -13.2201539607196 4800989 CC1=C(C=CC=C1Cl)NC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 2.588 2 5 0 -18.3202897322327 4800977 CC(C)CC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCCO3 1 2.51 3 3 -12.6025287378585 4800976 CC(C)CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.302 4 3 0 -22.8444367304353 4800944 CC1=NN=C(N1C)SCC(=O)NNC(=O)COC2=CC=C(C=C2)Br 1 1.221 5 3 0 -15.0883209711821 4800938 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4C=C3 1 2.826 4 2 -17.2553825197931 4800937 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CS3)Cl 1 2.071 2 4 -21.0363306787274 4800931 COC1=C(C=C(C=C1)CC(=O)NC2=CC(=C(C=C2)F)Cl)S(=O)(=O)N3CCOCC3 1 2.307 2 5 0 -17.8176037601376 4800914 C1=CC=C(C=C1)OCC(=O)NC2=NC(=CS2)C3=CN=CC=C3 1 2.243 3 2 -3.15004058740805 4800887 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)OCC4CCCO4 1 2.991 2 5 0 -23.3066078074029 4800882 CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC3=CC=CC=C3 1 3.559 2 2 -6.46723743578765 4800874 C1CC1NC(=O)COC(=O)COC2=CC=CC=C2C#N 1 0.949 2 4 0 -14.5251080756977 4800870 COC1=CC=CC=C1C(=O)NCC(=O)NC2=CC3=C(CCC3)C=C2 1 2.715 2 3 -16.5869261147485 4800855 CC1(C(=O)N(C(=O)N1)CC(=O)NC2CCCC2)C3=CC=C(C=C3)OC(F)F 1 2.343 3 4 0 -6.65243092116946 4800841 C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=CC=C3O 1 3.234 2 6 0 -18.5956766808478 4800840 CCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=COCCO3 1 2.871 2 3 7.29609027633963e-002 4800806 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCCOC3=CC=CC=C3 1 3.539 2 4 -21.9655703162295 4800805 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCCOC3=CC=C(C=C3)C(=O)C 1 3.279 2 5 0 -25.1920188350574 4800794 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.244 2 5 0 -19.2129161800089 4800752 COC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)N 1 3.113 2 5 0 -11.402442575964 4800703 C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)CC3=CC4=C(C=C3)OCCO4 1 2.949 2 4 -6.72620228106585 4800700 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CC3=CC4=C(C=C3)OCCO4 1 3.227 2 4 -5.69486395398122 4800687 CC1=C(C(=NO1)C)C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3 1 2.011 3 3 -9.08537608995784 4800668 COC(=O)C1=CC=C(C=C1)CN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43 1 2.818 3 4 0 -5.87093392818545 4800662 CC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC4=C(C=C3)OCCO4 1 1.238 3 6 0 -13.5996776935735 4800644 COC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SC)S(=O)(=O)N3CCCCC3 1 2.562 3 4 0 -22.9263788299942 4800610 CC1=C(C=C(C=C1)NC(=O)CCCOC2=CC=C(C=C2)C(=O)C)S(=O)(=O)N3CCCCC3 1 3.279 2 5 0 -22.450652856655 4800607 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=C(ON=C3C)C 1 2.522 3 5 0 -21.664092928187 4800590 CC1CC(CN(C1)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)C)C 1 4.397 1 4 -13.830102559989 4800571 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC4=CC=CC=C4O3 1 1.998 2 6 0 -16.500525518483 4800564 CC1CCCCC1NC(=O)COC2=CC=CC=C2C#N 1 2.929 2 2 -12.9353750588307 4800554 CC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=C(C=C(C=C3)C(=O)C)OC 1 2.518 2 4 -11.8245104110671 4800542 C1CC2CC1CC2CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 2.105 3 5 0 -18.0900566276088 4800529 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CCC(CC2)C 1 3.055 1 4 -14.6305191248363 4800509 CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=CC=C3F 1 2.222 2 2 -11.6046053962492 4800492 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=C(C(=C(C=C3)F)F)F 1 2.765 2 3 -12.6519483159697 4800489 CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC(CC2)C(=O)OC 1 1.859 1 5 0 -9.90703058971888 4800484 C1CC(OC1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3Cl 1 1.458 2 3 0 -18.4438616065538 4800478 COC1=CC(=C(C=C1NC(=O)C2CC(=O)N(C2)CC3=CC=CO3)OC)Cl 1 1.706 2 5 0 -14.1929380246905 4800425 C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)C3=C(C=C(C=C3)F)F)OC1 1 2.503 1 5 -7.38637478647401 4800424 COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3 1 2.076 1 6 0 -11.0189880471792 4800422 CSC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3 1 2.634 1 5 -14.4559977631683 4800421 C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)C3=CC=CC=C3OC(F)F)OC1 1 2.898 1 6 0 -8.96361725952051 4800420 COC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3)OC 1 2.059 1 7 0 -9.43144221177399 4800396 CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CCOC2=CC=C(C=C2)OC 1 1.401 2 7 0 -20.7727964849661 4800374 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CO4 1 3.285 1 2 -5.97940276038213 4800373 CC1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)C3CC=CCC3C2=O 1 1.541 2 4 0 -9.43768071010586 4800347 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OCC3CCCO3)C 1 3.929 1 3 -12.3838266508592 4800346 CC1=C(C=CC(=C1)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)Cl 1 3.178 2 4 -16.7204128185222 4800345 CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.964 3 3 0 -24.7680169303934 4800342 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.126 3 3 -11.4210383144136 4800337 CC1=C(C=C(C=C1)C(=O)NC2CCCCCC2)S(=O)(=O)N3CCOCC3 1 2.643 2 4 -22.090686647195 4800328 CC(C)C1=CC=CC=C1OCC(=O)NC2=NN=C(S2)C3CC3 1 3.136 3 2 -9.80283606376512 4800316 COCCN1C2=CC=CC=C2N=C1SCC(=O)NC3CC3 1 2.053 3 2 -19.9979071973425 4800302 CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4 1 4.231 3 3 -16.6999411484149 4800286 CC1=C(C=CC(=C1)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)Cl 1 3.634 2 4 -17.0748813326903 4800285 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C4=CC=CC=C4 1 2.546 5 2 0 -12.6053717012227 4800274 CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)OCC3CCCO3)C 1 3.929 1 3 -8.61522628197405 4800268 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CC3 1 2.734 2 4 -14.4851113180151 4800240 COC1=C(C=C(C=C1)CC(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.109 2 5 0 -22.1900303875359 4800239 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 1.562 3 4 0 -15.391017557229 4800230 COC1=C(C=C(C=C1)CC(=O)NC2=C(C(=C(C=C2)F)F)F)S(=O)(=O)N3CCOCC3 1 2.054 2 5 0 -19.7645933977567 4800225 CC1=C(C(=NO1)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 1.531 3 4 0 -23.0204024769122 4800209 C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 3.553 4 3 0 -14.7983801132066 4800199 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=NOC(=C3)C 1 1.067 4 4 0 -17.0820114223431 4800188 CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NCC2=CC=CC=C2OC 1 3.324 2 4 -23.074415530529 4800140 CC1=CC(=NN1CC(=O)NNC(=O)COC2=C(C=C(C=C2)F)Br)C 1 1.59 4 3 0 -14.5306597448099 4800107 COC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC 1 2.65 2 5 0 -24.8312929681597 4800085 C1CCC(CC1)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.323 2 3 -10.2154519890647 4800006 CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 2.383 5 3 0 -18.3863578652373 4799976 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=CC=C3)OC 1 2.616 2 5 0 -20.5566721412653 4799871 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)OCC3CCCO3 1 3.45 1 3 -12.5974533938783 4799861 CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 1.8 3 6 0 -23.4180120409283 4799758 C1CCCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=CO3 1 1.744 5 2 0 -12.7186099371198 4799805 COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4)OC 1 2.914 3 5 0 -12.5826018184897 4799750 CC1=CC=CC=C1OCCOC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 4.35 1 4 -7.27735667457654 4799748 CC1CCC(CC1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 3.694 2 2 -12.0314351574281 4799734 COC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2Cl)S(=O)(=O)N3CCCCC3 1 3.132 2 5 0 -17.9876288563368 4799644 CC1=CC(=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)CC3=C(C=CC(=C3)OC)OC)C 1 2.784 3 4 0 -10.3184313832754 4799628 CC(=O)N1CCN(CC1)CC2=NC3=C(N2CCO)C=C(C=C3)Cl 1 1.16 4 2 0 0.390116451557448 4799617 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)NCC2=CC=CC=N2 1 1.017 4 2 0 -12.290796782937 4799605 CC(C1=CC=C(C=C1)Cl)OCC(CN2CCCCC2CCO)O 1 2.772 1 3 -1.15083242659038 4799593 CCOC(=O)C1CCCN(C1)CC(COCC2=CC=CC=C2OC)O 1 2.056 1 5 -9.75057623786106 4799556 C1CCC(CC1)(CNC(=O)C2=CC(=CC=C2)Cl)N3CCCCC3 1 4.472 2 1 -6.05997489979088 4799545 COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OC 1 2.159 2 5 0 -23.9315562956379 4799539 CCOC1=CC=CC=C1NC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3 1 2.968 2 4 -17.4494559773042 4799536 CC(C)C(C(=O)NCC1=CC=CC=C1OC)NC(=O)C2=CC=C(C=C2)OC 1 2.975 2 4 -22.1581611055779 4799535 CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=CC=CC=C3F 1 3.295 2 1 -9.44230876611342 4799497 CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)C3=NOC(=C3)C)C)[N+](=O)[O-] 1 2.94 4 5 0 -11.6283450984615 4799477 CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3N2CC(C)C 1 3.601 4 2 -22.9268867778199 4799453 CC(C)C(C(=O)NC1=NC=CS1)NC(=O)C2=CC=CC=C2F 1 2.204 3 2 -17.7463653302197 4799452 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 2.73 4 4 0 -19.6589473130175 4799449 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C43 1 2.455 2 4 -25.9493783392437 4799436 C1CCCC(CC1)NC(=O)CC2=CC(=C(C=C2)Cl)Cl 1 4.716 1 1 -5.59282637390834 4799433 COC1=NC=C(C=C1)NC(=O)CC2=CC=CC=C2F 1 2.227 2 2 -10.1921310024742 4799430 COC1=NC=C(C=C1)NC(=O)CC2=CC(=C(C=C2)Cl)Cl 1 3.35 2 2 -5.29219140287817 4799416 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CC(=CC=C3)OC 1 3.153 2 4 -19.7018628319924 4799399 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CS2)Cl 1 2.632 3 1 -11.9530926152606 4799395 CC(C)CN1C(=O)C(=O)N(C1=O)CC(=O)NC2CCCC3=CC=CC=C23 1 2.18 3 4 0 -13.1539582964953 4799370 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C(F)(F)F 1 2.318 5 2 0 -12.6549456793375 4799369 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=NN=CS3 1 2.504 3 1 -15.4269673734035 4799368 CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC 1 3.118 2 4 -19.624808926548 4799353 CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)CNC(=O)C2=CC=CO2 1 1.186 4 4 0 -18.0289473401681 4799349 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3CCCC4=CC=CC=C34 1 3.979 4 1 -16.6604311102644 4799329 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CC=C3 1 2.632 2 4 -20.4204564940574 4799327 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3COC4=CC=CC=C4O3 1 2.754 2 6 0 -18.0511546016155 4799321 C1=CC(=CN=C1)C2=CSC(=N2)NC(=O)COC3=CC=C(C=C3)C#N 1 2.122 4 2 -5.19015149858515 4799311 CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)[N+](=O)[O-] 1 3.54 4 5 0 -21.7410872500347 4799307 CC1=CC(=C(O1)C)C(=O)NNC(=O)CC2=CC(=C(C=C2)Cl)Cl 1 2.63 2 3 -8.87050892525396 4799288 CCC(C)C(C(=O)NC1=CC(=C(C=C1)C)Cl)NC(=O)N 1 2.734 3 2 -16.0766794857747 4799282 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC=CC=N3 1 2.27 4 3 0 -23.4560489620902 4799276 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Br 1 3.44 2 4 -14.366248223161 4799275 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 2.014 2 5 0 -14.5584624797494 4799271 COC1=CC=CC(=C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.667 2 4 -18.8017544969617 4799262 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)OC 1 2.68 3 4 0 -13.5422589460179 4799260 CC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2)S(=O)(=O)N3CCCCC3 1 3.528 2 3 -17.7552160012399 4799259 CCSC1=NN=C(S1)NC(=O)CCCOC2=CC=C(C=C2)C 1 3.411 3 2 -17.1580567988355 4799258 COC1=CC=C(C=C1)OCC(=O)NC2CCCC3=CC=CC=C23 1 3.456 1 3 -7.46877877809933 4799242 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CN=C(C=C3)Cl 1 2.355 3 4 0 -21.8531183835672 4799241 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC3CCCC3 1 1.654 2 5 0 -23.9621880579126 4799238 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCC3=CC(=C(C(=C3)OC)OC)OC 1 3.074 2 7 0 -26.2538386098399 4799233 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=C(C=C3)OC)OC 1 2.599 2 6 0 -23.9716577181096 4799228 CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=CO2)Cl 1 2.468 2 3 -11.460035029887 4799189 COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=C(C=CS2)C#N 1 2.721 2 4 -16.1698406916231 4799186 COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl)Cl 1 3.948 2 3 -2.82682995286093 4799115 C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)NC3=C(C=C(C=C3)F)F 1 3.155 4 1 2.02074908630868 4799112 CCCNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 0.818 3 5 0 -26.9521778438226 4799109 CC1=CN=C(S1)NC(=O)NCC2CCCC(C2)CNC(=O)NC3=NC=C(S3)C 1 1.818 6 2 0 -5.31673488580259 4799100 CC1=CSC(=N1)NC(=O)NCC2CCCC(C2)CNC(=O)NC3=NC(=CS3)C 1 2.092 6 2 0 -6.05940713286554 4799092 CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 2.844 4 4 0 -6.74586287243226 4799085 C1=CC=C(C(=C1)NNC(=O)NC2=C(C=C(C=C2)F)F)[N+](=O)[O-] 1 2.85 4 3 0 -5.24641594761561 4799080 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)F 1 2.306 3 3 -15.4130167486113 4799063 C1CCN(CC1)C(=O)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4 1 4.369 3 1 4.52141470075653 4799005 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CC=C(C=C3)Cl 1 3.348 2 3 -16.3195011285035 4798996 CC1=C(C(=NO1)C)C(=O)NC2=CC=CC=C2N3CCOCC3 1 1.346 3 3 0 -11.9240961294884 4798879 CC1=CC=CC=C1C2=NN=C(O2)SCC(=O)NCC3CCCO3 1 2.117 3 3 -20.3542518866725 4798875 CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3 1 3.806 2 3 -9.87177312704726 4798848 CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3CCCC4=CC=CC=C34)C 1 4.431 5 1 -23.8713574735972 4798845 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2CCCCCC2)C3=CC=C(C=C3)Cl 1 3.638 3 3 -7.4992370901116 4798771 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=CC=CC=C3C(=O)O 1 2.855 1 4 -5.34472976316771 4798743 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCCCCC3 1 3.434 3 2 -8.60992456259911 4798720 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC3CCCC3 1 2.38 2 5 0 -24.7402606885629 4798716 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC3=C(C=C(C=C3)F)Cl 1 3.179 3 3 -18.3275146283972 4798652 CC1=CC(=C(C=C1)OC)NC(=O)CCNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 3.037 2 4 -10.2758221019228 4798654 COC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)OC 1 2.623 2 5 0 -26.5564447459106 4798661 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3(CCCCCCC3)NC2=O 1 2.726 3 5 0 -11.7212181970868 4798699 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)C)C 1 3.677 4 3 0 -20.5005248707339 4798697 C1CC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 1.675 3 5 0 -18.162879603542 4798671 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCCC3 1 0.774 3 4 0 -25.1025151425706 4798625 CN(CC1=CC=CC=C1OC)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.34 1 2 -6.50891016128616 4798604 CC1=CC=C(C=C1)NC(=O)NCC2=NC3=CC=CC=C3N2C 1 2.93 4 1 -2.78656366255801 4798601 CC1=CC=C(C=C1)NC(=O)C2=CC=CN3C2=NS(=O)(=O)CC3 1 0.767 3 3 0 -9.84181358078117 4798581 CC1=CC=C(C=C1)NC(=O)CCC2=C(NC(=O)C(=C2C)C#N)C 1 2.197 3 2 -14.6716323016915 4798576 CC1=CC=C(C=C1)NC(=O)CN2C=CC(=O)NC2=O 1 0.316 3 3 0 -15.0147563581128 4798540 CC1=C(C(=O)NC(=C1CCC(=O)NCC2=CC=C(C=C2)Cl)C)C#N 1 2.382 3 2 -17.843913333021 4798519 CC1CCC(CC1)NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.387 1 3 -11.7191124891505 4798510 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F 1 2.651 3 4 0 -14.81163542907 4798505 COC1=CC(=CC(=C1)C(=O)NNC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)OC 1 1.053 4 5 0 -17.4249359976391 4798501 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OCC3CCCO3 1 3.443 1 3 -9.71179534865755 4798495 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=C(C=CC=C3Cl)Cl 1 2.782 2 4 -22.0378289959109 4798471 CC(C)CC1C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 2.965 3 4 0 -13.0974960448527 4798458 CC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC=C(C=C3)Cl 1 4.667 1 2 3.28062329760605 4798418 CC1=CC(=CC=C1)NC2=NN=C(S2)SCC(=O)NCC3=CC=CS3 1 3.169 4 1 -17.6522540613929 4798398 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)Cl)F 1 3.604 3 3 -15.7764442383615 4798382 CC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C 1 2.934 2 4 -23.188752019224 4798370 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NC4=CC=C(C=C4)OC(F)F 1 2.848 3 5 0 -15.7091470623508 4798330 C1CC(CN(C1)CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O)O 1 2.91 1 3 1.75719231596201 4798289 CC(C)C1=CC=C(C=C1)CN2C(=O)C3(CCCCCC3)NC2=O 1 4.207 2 2 -0.895755655826009 4798276 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)COC2=C(C=CC(=C2)C)Cl)N 1 3.175 4 4 0 -10.1328359056616 4798237 C1C=CCC2C1C(=O)N(C2=O)CC(=O)NC3=C(C=C(C=C3)F)F 1 1.482 2 3 0 -6.73137639176107 4798192 CC1=C(NC(=C1C(=O)C)C)C(=O)NCCC2=CNC3=CC=CC=C32 1 2.993 3 2 -11.9017905980757 4798177 CC1=C(C=CC(=C1)C(=O)NCC2(CCCCC2)N3CCCCC3)[N+](=O)[O-] 1 4.189 3 3 -13.0002674387364 4798117 CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 0.697 5 3 0 -29.3350176431281 4798096 C1=CC=C(C=C1)CNC2=C3C=CC(=CC3=NC=C2)Cl 1 4.072 2 0 0.973162099932733 4798079 CC1=CC(=C(C=C1)C)N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CCCC4 1 5.436 2 3 -29.2358374853925 4798059 CC1=NC2=C(C=C(C=C2)OC)C(=C1)NCC3=CC=C(C=C3)F 1 3.88 2 1 5.48994494032222 4798047 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)CC3=CC=C(C=C3)F 1 3.881 2 4 -16.1636230396773 4798042 COC1=C(C=C(C=C1)CNC(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4)OC 1 2.921 3 5 0 -16.4465466434803 4798015 CC1=C(C(=CC=C1)NC(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC)C 1 2.507 2 5 0 -15.8661854093931 4797929 CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCC2=CC=CC=C2OC 1 3.324 2 4 -23.0221141575603 4797925 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3C#N 1 2.819 3 4 0 -20.5277088356027 4797913 COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC(=O)NCC3=CC=CC=C3 1 2.356 4 3 0 -4.35967209225204 4797888 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3 1 2.52 2 3 -21.0046425849151 4797887 CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 3.178 2 4 -13.8570847283522 4797884 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)F 1 2.167 2 4 -22.0280788391235 4797721 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC(=C(C=C3)OC)OC)C 1 3.261 2 5 0 -27.6770273523835 4797646 CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C(=O)C3CCCCC3C2=O)C 1 2.037 2 5 0 -20.5716880091108 4797588 CC1=C(C(=NC2=NC(=NN12)SC)C)CCC(=O)OCC(=O)NC3=CC=C(C=C3)F 1 3.057 5 3 0 -15.5112231500526 4797567 CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=CS3 1 2.564 2 1 -8.89527488224229 4797534 CN(C)C(CNC1=C2C=CSC2=NC=N1)C3=CC(=C(C=C3)OC)OC 1 3.178 4 2 -4.88896830780833 4797524 CCC1CCCCN1CC(COCC2=CC(=CC=C2)OC)O 1 3.064 1 3 -6.65903160127612 4797519 COC1=CC=CC(=C1)COCC(CN2CCC(CC2)C(=O)N)O 1 0.719 2 4 0 -5.56343317514776 4797420 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 1.585 3 5 0 -25.87651398662 4797410 CC(C)CC1C(=O)N(C(=O)N1)CC2=C(C=CC(=C2)C(=O)C)OC 1 2.068 2 4 -12.3578689054875 4797388 CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.91 2 6 0 -13.7123664485889 4797349 CN(CC1=NN=C(O1)C2=CC=C(C=C2)F)C3=CC=CC=C3 1 3.273 3 1 0.448344370033439 4797338 CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C(=O)OCC 1 1.74 2 5 0 -8.67714476900607 4797273 CC1=NN=C(S1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl 1 1.985 4 3 0 -28.7256851505958 4797241 COC1=C(C=C(C=C1)NC(=O)CC2CCCC2)S(=O)(=O)N3CCCCC3 1 2.883 2 4 -19.6753634981118 4797217 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC 1 1.553 3 5 0 -25.031485729411 4797215 C1=CC=C(C=C1)N(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3F 1 4.625 2 1 -7.68533635248071 4797191 C1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3 1 4.128 2 1 -9.99250536302778 4797190 CC1=C(C=C(C=C1)NC(=O)CSCC(=O)NC2=NOC(=C2)C)C 1 2.179 3 3 -16.9825311300155 4797155 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CNC(=O)C=C2)C 1 0.196 3 4 0 -15.4982204553818 4797153 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NCC4=CC=CS4 1 2.723 2 3 -15.1460894100856 4797129 COC(=O)C1=CC=C(C=C1)CSCC2=CC=C(C=C2)C#N 1 3.696 1 2 -8.98552811130983 4797121 COC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CC3=CC=CC=C3F)OC 1 3.766 2 3 -6.08262370114839 4797114 CSCCC(C(=O)N1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.112 3 3 -15.4596406084504 4797106 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=CC=CC=C4O3 1 4.41 2 2 9.58997977465985 4797049 CC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.767 2 5 0 -21.266604237488 4797047 CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC3=CC=C(C=C3)Cl 1 2.403 2 5 0 -21.2804633565026 4797043 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C 1 2.309 4 5 0 -9.81140780001463 4797042 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC(=O)NCC3=CC=CO3 1 0.897 4 5 0 -12.0199275571357 4797040 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NN=CN3C4=CC=CC=C4 1 3.216 5 3 0 -26.3815822899983 4797029 COC1=C(C=C(C=C1)Cl)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.394 3 4 0 -18.0037218988167 4797024 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CN=C(C=C3)Cl 1 2.858 3 3 -21.0472267927415 4797003 CC(C)C(C(=O)NCC1=CC=CC=C1OC)NC(=O)C2=CC=CC=C2 1 2.992 2 3 -22.8780283098649 4796998 CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2C#N)S(=O)(=O)N3CCCCCC3 1 3.305 3 4 0 -19.0128240998857 4796947 CCOC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)CC3=CC=C(C=C3)OC 1 2.806 3 4 0 -3.99371991576995 4796983 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CC=C(C=C3)OC 1 3.153 2 4 -19.8783414974446 4796978 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CC=N3 1 2.413 3 3 -20.9206205519719 4796916 COC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3 1 3.315 0 5 -8.89155257372855 4796915 CC1=C(SC2=NC=NC(=C12)NCC(C3=CC=C(C=C3)OC)N(C)C)C 1 3.826 4 1 0.225607222979739 4796911 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OCC3CCCO3 1 2.771 2 5 0 -19.7247186318126 4796908 COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 1.174 2 5 0 -12.4018745477908 4796890 CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)NC3=CC=CC=C3F 1 3.146 4 2 -14.451324054588 4796882 C1CN(CCC1C(=O)OC2CCOC2=O)S(=O)(=O)C3=CC=CC=C3 1 0.997 1 6 0 -18.7437525253638 4796881 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCOC3=CC=CC(=C3)C 1 3.879 1 5 -16.3008939152206 4796872 CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CC(OC(C3)C)C 1 3.145 1 4 -2.0261591334734 4796867 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C)N 1 2.532 7 3 0 -19.9767184160946 4796865 C1CN(CCC1C(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 2.217 3 3 -18.4529896813756 4796833 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=CC=CC=C3N2 1 3.366 4 3 0 -19.4644751715653 4796827 COC1=C(C=C(C=C1)NC(=O)C2=CN=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 2.355 3 4 0 -19.5606861521287 4796794 C1=CC(=CC(=C1)Cl)CNC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3 1 3.076 2 3 -14.4113236601744 4796775 C1CC(OC1)CNC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.015 3 5 0 -20.606709981897 4796702 CC1=CC=C(C=C1)SCC(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)C 1 2.277 2 4 -14.3194334900513 4796700 CSCCC(C(=O)NNC(=O)C1=CC=CO1)NC(=O)C2=CC=CC=C2Br 1 1.886 3 4 0 -16.9379083809202 4796685 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)OC2CCOC2=O 1 0.525 1 6 0 -15.9330586050096 4796683 CC1=CC=CC=C1OCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.381 1 5 -18.4886217053332 4796667 COC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3 1 1.809 3 4 0 -13.6489428034338 4796635 CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O)C 1 3.323 3 3 -7.76668395404961 4796631 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)CC2=CNC3=CC=CC=C32 1 3.123 2 3 -6.10027419323373 4796630 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3OC(F)F 1 3.178 2 3 -5.58318776754921 4796618 CN(CC1=CC=C(C=C1)SC)C(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.608 1 3 -6.58559414893922 4796577 CC1=CC=C(C=C1)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.891 2 3 -17.6538361709278 4796578 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)CC23CC4CC(C2)CC(C4)C3 1 3.72 1 3 -6.13231194897436 4796602 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C 1 1.789 4 2 0 -11.6925063161656 4796595 CN(C)C(CNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC 1 4.274 2 3 -5.54516012399835 4796568 COC1=CC=CC=C1CC(=O)NCCC2=CNC3=CC=CC=C32 1 3.254 2 2 -14.5937837060321 4796551 CCN(CC)C1=CC=C(C=C1)NC(=O)CN(C)CC2=CC=CS2 1 3.139 3 1 -10.4407380638211 4796545 CC1=C(C=CC(=C1)N2CCN(CC2)C)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F 1 5.043 3 3 3.56483715375419 4796542 CN(C)C(CNC1=NC=C(C=C1)C(F)(F)F)C2=CC=CC=C2 1 3.247 3 0 0.872838348373809 4796520 C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.156 2 2 -3.62270740675507 4796512 CC(C1=CC=C(C=C1)F)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.881 2 4 -12.8140793733989 4796498 CC1=NN=C(N1CC=C)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl 1 2.239 5 3 0 -30.0700662550019 4796491 CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=C(C=C3)Cl)C 1 3.348 3 4 0 -13.2560927632863 4796490 CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC=C3)C 1 2.683 3 4 0 -16.1425140901216 4796479 CC(=O)C1=CC(=CC=C1)OCC(CNCC2CCCCC2)O 1 2.834 1 3 -6.02437482683401 4796450 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F 1 4.137 2 5 0 -10.697796304903 4796441 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC=CC=C3C)C 1 4.975 1 2 2.823504110696 4796417 CC1=C(C(=CC=C1)C)OCCOC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 3.094 1 6 0 -23.8896349842691 4796412 C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)Cl)F)C(=O)C3=CC=CC=C3 1 2.707 3 2 -5.5791238788517 4796398 CSC1=CC=CC=C1NC(=O)CN2C(=O)C3CC=CCC3C2=O 1 1.613 2 3 0 -12.6742309115096 4796397 CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(C=C3)Br 1 3.582 4 3 0 -9.30753165308385 4796378 CC(C)N(CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(N=CC=C3)Cl)C(C)C 1 4.187 5 2 0 -20.2472473700031 4796338 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)CCCC4)C 1 4.137 2 3 -17.5818922929526 4796330 CC1=C(SC2=NC=NC(=C12)NCC(C3=CC=CC=C3)O)C 1 3.164 3 1 2.28250069885393e-002 4796326 C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)NC3=NC4=C(C=C(C=C4S3)F)F 1 2.8 3 3 -8.55591038200046 4796313 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)F 1 3.101 1 5 -18.1151629632938 4796296 C1=CC=C(C=C1)CC2C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3F 1 1.927 3 3 0 -9.2302896569191 4796292 CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)C2=NC=CN=C2 1 0.513 3 4 0 -13.4415857988643 4796289 CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-] 1 3.029 3 5 0 -21.4598293194785 4796287 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC(=C(N=C2)Cl)Cl 1 2.251 3 3 -8.3512449780732 4796284 C1=CC=C(C=C1)C(C2=CC=CC=C2)NCC(=O)NC3=CC=CC=C3F 1 3.821 2 1 -8.24472228890189 4796279 CC1=CC=CC=C1OCC(=O)OCC(=O)C2=CC=CN2 1 2.647 1 4 -7.36352967792362 4796211 CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)COC3=CC=CC=C3 1 2.252 3 3 -8.97701597475011 4796206 CN(CC1=CC=CC=C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC 1 4.911 2 4 -9.63136492283796 4796195 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2CN3CCC2CC3 1 1.388 3 3 0 -9.90085512540141 4796183 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3 1 2.728 3 3 -17.680731851354 4796151 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC 1 4.895 2 5 0 -6.87544603196512 4796146 C1=CNC(=C1)C(=O)COC(=O)COC2=CC=C(C=C2)C#N 1 2.04 2 4 -9.96873186061332 4796143 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2COC3=CC=CC=C3O2)N 1 1.826 4 5 0 -10.1565779022254 4796140 CCC1(C(=O)N(C(=O)N1)CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 3.077 3 4 0 -4.97289454704589 4796114 C1=CC=C(C(=C1)C(=O)NCC(=O)OCC2=NC3=C(N2CCO)C=C(C=C3)Cl)F 1 2.573 3 4 0 -9.28393929882648 4796055 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 4.321 3 3 -8.29567896367141 4796059 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 3.681 3 4 0 -23.2197608606024 4796060 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2COC3=CC=CC=C3O2)N 1 1.12 4 5 0 -9.02358794458159 4796061 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC=C(C=C3)OC(F)F)C 1 5.295 1 3 6.23675137677875 4796066 CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)NCCCOC 1 3.926 2 2 -5.37819962221376 4796097 CC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=C(C=C(C=C3)Cl)Cl 1 5.332 1 2 4.65891280498044 4796090 CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)CC3=CC=CC=C3Cl)C 1 5.153 1 2 2.60548822736072 4796084 C1=CC(=C(C(=C1)Cl)COC2=CC=C(C=C2)C3=NN=CO3)F 1 3.566 2 2 0.447781986415084 4796077 CC1=NC(=C(C=C1)OCC2=CC(=CC=C2)S(=O)(=O)N(C)C)[N+](=O)[O-] 1 2.079 3 5 0 -9.94189420451552 4796042 C1CC(OC1)CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 0.894 3 4 0 -12.500151207121 4796036 COC1=CC=CC=C1CNS(=O)(=O)C2=C(C=C(C(=C2)C(=O)NCC3=CC=CC=N3)Cl)Cl 1 3.493 3 4 0 -11.7830405251321 4796030 CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2CC(=O)N(C2)CC3=CC=CO3 1 1.16 3 7 0 -19.4740522060748 4796020 CCN(CC(=O)NC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=CC=C3C(F)(F)F 1 2.652 3 4 0 -9.47728543960822 4796012 C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC3=C(C=C(C=C3)Br)F 1 5.02 2 3 -19.0514637075089 4796002 CC(C)C1=CC=C(C=C1)CN(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 3.698 2 4 -9.86618515371867 4795989 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3 1 3.143 2 4 -13.8083049293185 4795978 CN(C)S(=O)(=O)C1=CC=CC(=C1)COC2=NC=NC3=C(C=C(C=C32)Cl)Cl 1 3.94 3 3 -2.43253486692641 4795953 CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-] 1 1.525 5 5 0 -24.9710685606807 4795952 C1CCC(CC1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N 1 2.596 2 3 -13.8302573226741 4795948 C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N)OC1 1 1.832 2 5 0 -14.7976336843804 4795933 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 1.134 3 5 0 -19.3296210655738 4795919 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N2CCNC(=O)C2 1 0.582 3 3 0 -21.270756948957 4795918 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CN(CC2=CC=CO2)C(=O)C3=CC(=CC=C3)F 1 3.793 2 3 -11.7588519713891 4795908 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)NCC4CCCO4 1 3.073 2 2 -7.09364910251976 4795879 CC1=NC(=CS1)CSC2=CC=C(C=C2)NC(=O)C 1 2.007 2 1 -3.55987497510529 4795863 CN(C1=CC=CC=N1)C(=O)C2=CC3=CC=CC=C3C=C2 1 3.117 2 1 -2.23242501563878 4795848 COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC(CC2)CC3=CC=CC=C3)OC 1 2.928 2 4 -12.57192976567 4795840 C1COC2=C(O1)C=CC(=C2)CCNC(=O)CCC3=CNC4=CC=CC=C43 1 3.513 2 3 -16.825111156856 4795824 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=CC=C3 1 2.616 3 4 0 -21.8251689936053 4795816 C1COCCN1C(CNC(=O)COC2=CC=CC=C2C#N)C3=CC=C(C=C3)F 1 2.396 3 3 -17.3039251774785 4795794 CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CCN2C(=O)C3CCCCC3C2=O 1 3.148 2 4 -10.6171647318898 4795772 CCN(CC(=O)NC1=CC=C(C=C1)OC)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC 1 2.95 3 5 0 -18.1814328390961 4795755 CCOC1=C(C(=CC(=C1)C(=O)N2CCNC(=O)C2)Br)OC 1 1.186 2 4 0 -21.0779620234698 4795714 C1CN(CCC1NC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])CC4=CC=CC=C4 1 2.985 4 2 1.19119409800865 4795702 CCN(C(=O)C1=C(N=CC=C1)SC)C23CC4CC(C2)CC(C4)C3 1 3.666 2 1 -9.13257737153907 4795701 CC1=NC=C(N=C1)C(=O)NCC(=O)NC2=CC=CC=C2Br 1 0.832 4 2 0 -18.2531336675642 4795636 CN(CC1=CC=C(C=C1)F)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.562 1 1 -4.01207236591586 4795634 C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NNC(=O)COC2=CC=C(C=C2)Cl 1 1.382 3 5 0 -12.7087121309018 4795607 CC1CCC(CC1)NC(=O)CN2C(=O)C3CC=CCC3C2=O 1 1.604 2 3 0 -12.1804694309218 4795599 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3=CC=C(C=C3)C(=O)N(C)C)C 1 2.504 2 4 -13.6382033072772 4795598 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3=C(C=C(C=C3)OC)OC)C 1 3.058 1 5 -12.9432592218121 4795580 CCOC1=CC=C(C=C1)CN(C)C(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 3.492 3 4 0 -11.2539026625914 4795568 C1C(CN(C1=O)CC2=CC=CO2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 3.194 2 4 -6.14475956454144 4795565 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)OC(F)F 1 2.905 3 4 0 -9.81328318666381 4795552 CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC3 1 1.769 2 4 0 -19.3951020357944 4795542 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3Cl 1 3.795 1 3 -9.48149166410315 4795536 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 3.599 4 4 0 -19.4484961548739 4795518 CCN(CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(CCC4)C=C3 1 4.766 4 2 -23.3858606963612 4795510 C1CN(CCN1C2=CC=C(C=C2)O)C3=CN=C(C=C3)[N+](=O)[O-] 1 2.662 4 3 0 2.61023361840656 4795468 CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C=NN=N3)C 1 2.177 5 2 0 -11.622260393461 4795449 CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCCN2C=CN=C2)[N+](=O)[O-] 1 0.974 5 4 0 -12.1475934176486 4795384 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCOC3=CC=CC=C3C)C 1 3.37 2 4 -19.9808476707454 4795371 CC1=CC(=CC=C1)OCCCC(=O)NNC(=O)C2=CC=C(C=C2)F 1 2.967 2 3 -8.4676826824069 4795367 C1=CC(=CC=C1C(=O)NNC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)F 1 2.049 3 3 -11.1230210297856 4795365 C1=CC(=CC(=C1)Br)OCCC(=O)NNC(=O)COC2=CC=C(C=C2)F 1 2.744 2 4 -6.93346514313457 4795359 COC1=C(C=C(C=C1)Cl)NCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 2.94 3 5 0 -17.4102590946222 4795341 C1CN(CCN1C2=CC=C(C=C2)O)C3=C4C=CC(=CC4=NC=C3)Cl 1 4.23 3 1 9.29272931880895 4795330 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 1.864 4 4 0 -12.8175541178289 4795296 CC1=NC2=C(C=C(C=C2)OC)C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F 1 3.234 3 3 -8.00312889695101 4795288 CC(C)(C)C(=O)C=C1NC(=O)C(=CC2=CC(=C(C(=C2)OC)OC)OC)S1 1 3.407 1 5 -7.66064445011498 4795261 CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SC(C)C(=O)NC3CC3)C)C 1 3.164 3 3 -21.4903861866435 4795244 CC(C)(CNC(=O)CC1=CC=C(C=C1)Br)N2CCOCC2 1 2.23 2 2 -12.0768899711987 4795243 CC(C)(CNC(=O)CC1=C(C=C(C=C1)Cl)Cl)N2CCOCC2 1 2.81 2 2 -10.1428699872032 4795220 CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SC(C)C(=O)N(C)C3=CC=CC=C3)C)C 1 4.457 3 3 -16.4834459665548 4795218 CC1=C(C=C(C=C1)F)NC(=O)CSCC2=C(ON=C2C)C 1 2.588 2 2 -17.2281872556988 4795190 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=CC=C3Br 1 3.166 3 3 -8.90981567539545 4795183 C1=CC=C(C(=C1)F)SCCSC2=NC(=O)C=C(N2)N 1 2.63 3 1 -10.4497580705968 4795172 COC1=CC=C(C=C1)N2CCN(CC2)CCN3C(=O)C4=CC=CC=C4C3=O 1 2.614 3 3 -0.901914325318184 4795171 COC1=CC=C(C=C1)CCC(=O)NNC(=O)C2=CC=CS2 1 2.299 2 3 -12.5439332325355 4795170 C1=CC=C(C(=C1)C(=O)NCC(=O)NNC(=O)C2=CC=CS2)Br 1 1.633 3 3 0 -15.2424420961056 4795164 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3Br 1 2.776 2 4 -18.1746195057191 4795148 CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NCC2CCCCC2 1 3.417 1 3 -13.5838153363596 4795147 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CCCCC3 1 3.02 2 5 0 -22.8430902695824 4795145 CC1=C(C=C(C=C1)NC(=O)C2=CNC(=O)C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 1.378 3 5 0 -11.0419913782887 4795126 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3OC)C 1 3.305 2 4 -23.3415890217231 4795117 CC1=CC(=C(C=C1NC(=O)COC2=CC=CC3=C2OC(C3)(C)C)OC)OC 1 3.544 1 5 -13.1736494358702 4795111 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC(C)C3=CC(=C(C=C3)Cl)Cl 1 4.23 3 3 -15.565225549547 4795103 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC=CC=C3Cl 1 3.349 2 3 -7.51893019104566 4795096 C1CCN(C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CN=CC=C3 1 1.713 3 3 0 -10.7180970559618 4795044 CN(CC1=CC(=CC=C1)F)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.562 1 1 -2.85778117269586 4795027 COC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)CC3=CC=CO3)Cl 1 1.723 2 4 0 -9.67097706950395 4794993 CCOC1=C(C=CC=N1)C(=O)NC(C)CCC2=CC=CC=C2 1 3.497 2 2 -12.5442411965194 4794987 CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)CC2=CSC=C2 1 2.475 1 4 -7.82924114659188 4794982 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 3.583 2 3 -12.6232921372954 4794971 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CC2CCCC2 1 2.68 2 3 -18.1141269203346 4794970 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=CC=C3)Br 1 3.728 1 3 -11.1663174664092 4794957 CC(=O)C1=CC=CC=C1OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.767 2 5 0 -22.7474823572543 4794951 COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4 1 1.846 4 4 0 -9.06075973663095 4794929 CC1=CC=C(C=C1)NC(=O)CC2=NC(=O)C(S2)CC(=O)NC3=CC=CC=C3F 1 2.987 3 3 -12.7622062269757 4794911 CC(C(=O)NNC(=O)C1=CC=NC=C1)SC2=CC=C(C=C2)Cl 1 2.263 3 2 -4.78653161036572 4794909 CCOC(=O)N1CCN(CC1)C(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.24 3 4 0 -15.9623925260347 4794907 CC(C(=O)NC1=C(C=C(C=C1)Cl)Cl)N2C(=O)C3(CCCCCCC3)NC2=O 1 4.335 3 3 -9.19796937279953 4794881 CC1CCCCC12C(=O)N(C(=O)N2)CC3=CC(=O)N4C=CSC4=N3 1 1.157 4 3 0 -13.4968120033523 4794871 COC1=NC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO 1 1.768 4 4 0 -20.298177845457 4794869 CC1=NN=C(N1C)SCC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3 1 1.375 4 3 0 -23.7993512558184 4794853 CCOC1=C(C=C(C=C1)CN(C)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O)OC 1 2.275 2 5 0 -18.5916485640918 4794849 CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.55 2 5 0 -17.32023525708 4794834 CC1=NC(=C(C=C1)OCC(=O)NC(C)C2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-] 1 3.728 3 4 0 -9.3616250195621 4794815 CC1=CC(=C(C=C1)C)NC(=O)CCN2C(=O)C3CC=CCC3C2=O 1 2.291 2 3 -11.0953394661138 4794804 CC(=O)NC1=CC=C(C=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.028 3 3 -15.930840332952 4794803 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)CC3=CC=CO3 1 0.195 3 4 0 -12.0260799488409 4794756 CN(CC1=C(C=C(C=C1)OC)OC)C(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.684 3 5 0 -12.6139032847235 4794727 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3 1 3.064 2 3 -13.4252602996475 4794726 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)NC4=CC=CC=C4 1 2.498 3 4 0 -17.8421169405603 4794723 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCC3 1 1.574 2 4 0 -21.5674051339908 4794722 CC1=CC(=CC=C1)OCCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)N4CCOCC4 1 2.884 3 4 0 -5.53856148338205 4794714 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC2=C(C=C(C=C2)F)Br 1 3.218 2 4 -15.4810057949104 4794708 C1COCCN1C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.831 2 3 -2.38393068567677 4794706 CC1=CC(=CC=C1)NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.946 3 3 0 -5.96898795861549 4794702 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC2=CC3=CC=CC=C3C=C2 1 2.475 2 4 -9.39510098645362 4794681 CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC(=C(C=C2)OC(F)F)OC 1 3.656 2 6 0 -14.5670601282964 4794674 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3 1 3.589 2 5 0 -16.1188062918059 4794673 CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC3=C(C=C2)N=CS3 1 2.629 2 4 -16.0194247062545 4794672 CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC3=C(C=C2)N=CS3 1 3.554 2 3 -10.9664127051687 4794670 CC(C)CC1C(=O)N(C(=O)N1)CC2=CC(=O)N3C=CSC3=N2 1 0.626 4 3 0 -17.9340779683561 4794665 CC1=CC(=C(C=C1)OC)NC(=O)CSCC2=CC(=O)N3C(=CSC3=N2)C 1 2.28 3 3 -19.3877144756766 4794659 CC1CN(CC(O1)C)C(=O)CN2C3=CC=CC=C3OC2=O 1 1.254 2 4 0 -10.9738867598265 4794648 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=NC=C3 1 1.984 3 3 0 -19.633635172372 4794636 CN(CC1=CC=CC=C1OC)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.487 2 5 0 -11.8635868497877 4794631 CN(C1CCCCC1)C(=O)CN2C3=CC=CC=C3OC2=O 1 2.67 2 3 -7.36359435201824 4794629 C1CSC2=CC=CC=C2N1S(=O)(=O)C3=CC(=CC=C3)Cl 1 3.548 1 2 -8.1873632465615 4794621 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC(=CC=C3)Cl)C 1 5.153 1 2 6.76421212108512 4794618 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OC2CCOC2=O 1 1.223 1 6 0 -20.3749477558415 4794612 CC1CCC(CC1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3 1 2.939 2 3 -17.704984635284 4794581 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2 1 2.319 3 3 -14.5654333350248 4794522 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3OC(F)F 1 3.936 1 4 -8.94735314331732 4794501 CC1=CC(=NC(=C1C#N)SCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2)C 1 2.373 3 3 -26.1331660517966 4794500 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=C(C(=CC(=N2)C)C)C#N 1 2.431 3 3 -24.2261227631783 4794475 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 2.86 3 4 0 -21.6050159277451 4794426 CC1C(=O)N(C(S1)C2=CC=C(C=C2)F)CCC3=CC=CC=C3 1 4.257 1 1 -2.95622235441664 4794396 CC1CCN(CC1)C(CNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.661 2 2 -17.3588500755628 4794395 C1=CC=C2C(=C1)N=CC(=N2)C(=O)OCC3=CC=C(C=C3)C#N 1 3.04 3 2 -6.88238005297693 4794394 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O)C 1 2.882 2 4 -18.6983111105573 4794393 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3)C 1 3.932 3 4 0 -4.83364951888741 4794390 C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)F 1 2.115 2 4 -17.7385192704519 4794388 CC1=CC=C(C=C1)S(=O)(=O)NCCNC(C)C2=CC=C(C=C2)Br 1 3.539 2 2 -0.647770140587914 4794386 CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)NCC3=CC=C(C=C3)F 1 4.231 2 2 -2.06372246589923 4794375 CC(C)CNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)OC2CCOC2=O)Cl)Cl 1 2.84 1 6 0 -10.4173883934487 4794374 CCN1C(=NN=C1SC2CCOC2=O)C3=CC=C(C=C3)Cl 1 3.145 3 2 -0.80037903331635 4794372 CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-] 1 2.158 2 5 0 -14.2902835379696 4794330 C1=CC(=CN=C1)C2=NC(=CS2)C3=CC(=C(C=C3)O)C(=O)N 1 1.767 3 2 0 5.80493994753912 4794307 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(ON=C3C)C)C 1 2.169 3 4 0 -20.6643946447583 4794300 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.228 3 3 -23.3977795838969 4794292 C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)C3=CC(=C(C=C3)Cl)Cl 1 3.135 3 3 -5.58394425380109 4794278 CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=O)NC4=CC=CC=C43 1 2.781 4 2 -5.29208000613174 4794273 C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC(F)(F)F)NC(=O)C3=NC=CN=C3 1 2.223 4 4 0 -24.3059774951891 4794261 CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)C)N=N1 1 3.924 4 1 -9.64016230768672 4794257 CC1=C(NC(=C1C(=O)OC)C)C(=O)CN(C)CC(=O)NC2=CC(=CC=C2)F 1 2.29 3 4 0 -9.00691822950604 4794207 COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3 1 1.247 2 6 0 -23.8858536163695 4794208 C1CN(CCC1C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 2.334 2 4 -18.3307039919828 4794251 COC1=CC(=CC(=C1)NC(=O)CN2C(=O)C3(CCOC4=CC=CC=C43)NC2=O)OC 1 1.195 3 6 0 -9.9381578176888 4794248 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCNC(=O)C3=CC=CO3 1 1.684 3 6 0 -28.3556209635921 4794237 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NCC3=CC=CO3)C 1 2.047 2 3 -10.9871692071515 4794233 C1CCOC(C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 4.628 2 2 -20.1147527893965 4794224 CC(C)(C)C(=O)C=C1NC(=O)C(=CC2=CC(=C(C=C2)OC)O)S1 1 3.198 1 4 -1.55836980259077 4794222 CC1=CC=CC(=C1)C=C2C(=O)NC(=CC(=O)C(C)(C)C)S2 1 3.943 1 2 -2.54570458784828 4794204 CC1CCCCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC 1 2.66 2 5 0 -22.2221112851484 4794199 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 1.226 6 4 0 -12.4650331257551 4794182 CCOC1=CC=C(C=C1)C(=O)COC(=O)C2COC3=CC=CC=C3O2 1 3.046 0 6 -8.03678845448881 4794181 CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)CC3=CC(=CC=C3)F)C 1 4.695 1 2 3.63661353980295 4794179 CC(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 1 2.465 3 5 0 -22.1562496807419 4794176 COC1=C(C=C(C=C1)CCC(=O)NC2=CN=C(C=C2)OC)OC 1 2.445 2 4 -13.379402222984 4794161 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CCNC(=O)C2=CC=CO2 1 0.921 3 5 0 -20.5544781169619 4794157 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3OC 1 2.398 2 6 0 -25.5177859244359 4794154 C1CN(CCC1C(=O)N2CCC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4F 1 2.689 2 3 -20.258683406951 4794151 CC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC(=CC=C3)F 1 4.208 1 2 3.28234914800762 4794150 CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=CC(=CC=C3)F)Cl 1 4.873 1 2 3.45910776587187 4794149 CCOC1=CC=C(C=C1)CN(C)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C 1 5 1 3 0.456193864031311 4794143 CC1=CC=C(C=C1)CN(C)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C 1 5.153 1 2 1.44708663054967 4794138 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.025 3 4 0 -18.3119567285219 4794133 CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C 1 3.902 2 3 -20.9917280171523 4794126 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.831 2 6 0 -24.4156785497329 4794111 C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)NC3=NC=CS3 1 1.211 3 2 0 -10.267558337573 4794104 CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3)Cl 1 3.364 2 2 -7.4592699159463 4794102 CC(C)(C)C1=CC=C(C=C1)NC(=O)CCNC(=O)C2=CC=CO2 1 2.718 2 3 -9.31375673468443 4794083 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3 1 2.586 2 4 -20.5092249021948 4794081 CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC(=O)OC 1 3.769 2 5 0 -8.61739117839108 4794068 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC(=CC=C3)F)C 1 4.695 1 2 6.20936999758366 4794066 CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=CC=CC=C3)C(C)C 1 5.197 1 2 -0.194381166314359 4794051 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=C(C=C3)SC)C 1 3.742 2 3 -16.4321887304137 4794050 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=C(C=C3)C(C)C 1 3.909 2 3 -23.1988788825672 4794027 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CC=CC=C3OC 1 3.624 2 5 0 -17.6291534105399 4793983 CC(C)(C)C(=O)C=C1NC(=O)C(=CC2=CC=C(C=C2)F)S1 1 3.662 1 2 -3.01616452037777 4793956 COC1=CC=CC=C1CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 2.382 2 4 -8.86174241393619 4793954 CC1=CC(=C(N1C2CC2)C)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-] 1 3.044 2 4 -9.04184749342191 4793952 CC1CCCCN1C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-] 1 1.846 3 6 0 -22.1907165043093 4793947 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 1.138 5 5 0 -23.1756406156674 4793944 CC1=C(C(=NN1CCOC2=CC=CC=C2Cl)C)[N+](=O)[O-] 1 3.098 3 3 -2.09775412053818 4793924 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2C(=O)C(=C(C=N2)Cl)Cl)C 1 1.575 4 4 0 -9.27649597038484 4793881 C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CN3 1 1.926 2 4 0 -13.2069420451101 4793878 CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)NCCOC 1 3.864 2 2 -5.69199024889045 4793877 CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)NC3=CC=C(C=C3)C(F)(F)F 1 2.758 3 3 -5.52590225394757 4793872 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CN2C(=O)C3(CCCCC3)N(C2=O)C 1 1.998 4 6 0 -22.3036680242551 4793859 CC(C(=O)NC1=CC=CC=C1F)SC2=NC3=CC=CC=C3N2 1 3.755 3 1 -7.30776274258652 4793851 CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CC(F)(F)F)C)[N+](=O)[O-] 1 3.232 3 4 0 -8.33019504848348 4793830 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CN=C(C=C2)Cl)N3C=CC=C3 1 2.47 4 2 -9.47482944252498 4793803 C1CCC(CC1)(CNC(=O)COC2=C(C=C(C=C2)F)Br)N3CCOCC3 1 3.368 2 3 -10.6007513402386 4793790 CCC(C)N(CC(=O)NC1=CC=CC(=C1C)C)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-] 1 1.748 4 5 0 -11.5225184818946 4793783 CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCNC(=O)C3=CC=CO3 1 2.429 3 3 -10.4264403474671 4793777 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C 1 2.656 1 5 -16.8756231347404 4793747 COC1=CC=C(C=C1)N(CCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 4.139 1 4 -7.58653384822924 4793745 COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)C2=NNC3=CC=CC=C32 1 2.591 4 3 0 -11.2706276677368 4793744 C1CCCC(CC1)NC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 3.324 2 3 -3.90603656348595 4793743 C1CN(CCN1C(=O)C2=CC(=C(N=C2)Cl)Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.123 3 3 -15.037608540994 4793713 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CC2=CSC=C2 1 1.782 2 2 0 -9.75899742892117 4793691 CC1=CC=C(C=C1)OCCC(=O)NNC(=O)C2=CC=CC=C2F 1 2.646 2 3 -11.8471230431823 4793663 CCC(C)C1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)N3C=NN=N3 1 2.987 5 2 0 -18.4108191735927 4793651 CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)C4=C(C=CC(=C4)C)C 1 4.016 3 4 0 -21.1559445649886 4793642 C1C(N(N=C1C2=CC=CS2)C(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-])C4=CC=CO4 1 3.593 3 5 0 -11.5714899662316 4793591 C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NC(=O)C4=CC=NC=C4 1 3.507 3 1 -4.77113353540259 4793590 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 2.519 3 4 0 -23.5669459749263 4793514 COC1=CC=C(C=C1)C(CNC(=O)CNC(=O)C2=CC=C(C=C2)F)N3CCCC3 1 2.498 3 3 -18.9869635383828 4793504 CCC1CCCCN1C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl 1 2.366 2 5 0 -25.1454547576768 4793502 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl 1 4.698 1 5 -6.66532851960736 4793492 CC1=CC=C(O1)CN(C)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 2.849 4 1 3.93775579904804 4793470 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F 1 4.494 3 5 0 -18.7253166858651 4793460 CC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=C(S2)Br)S(=O)(=O)N3CCOCC3 1 1.683 3 5 0 -20.3011672399338 4793451 COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC(=CC2)C3=CC=CC=C3)OC 1 2.357 2 4 -16.8942844731165 4793449 CCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 1.976 4 3 0 -5.40518022226483 4793435 CC(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)CC2=CC=CC=C2 1 1.449 2 3 0 -14.1904474961323 4793414 C1=CC=C(C=C1)CC(=O)NCC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 3.829 2 3 -8.83068669894022 4793371 CCC1=CC=C(C=C1)C=C2C(=O)NC(=CC(=O)C(C)(C)C)S2 1 4.399 1 2 -3.96747968162211 4793370 CC1=CC=CC=C1C=C2C(=O)NC(=CC(=O)C(C)(C)C)S2 1 3.943 1 2 -2.5369673145421 4793342 CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)NCC 1 4.343 2 1 -3.30950655792568 4793341 CC1=CC2=C(C=C1)N(CCC2)CC(=O)N(C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 2.284 5 3 0 -14.7925519548365 4793340 CCOC(=O)C1=C(NC(=C1C)C(=O)CN(C)CC(=O)NC2=CC=CC=C2C(F)(F)F)C 1 3.375 3 4 0 -11.1980389233169 4793334 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCCC4=C3C=CC(=C4)C 1 2.632 5 3 0 -16.3347553356137 4793329 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.356 2 7 0 -16.6815205847488 4793305 CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-] 1 1.385 2 6 0 -16.6029347735874 4793297 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C(=O)C4CC=CCC4C3=O 1 1.353 3 5 0 -22.8574100532992 4793296 CC1=C(C=CC(=C1)Cl)NC(=O)CCN2C(=O)C3CCCCC3C2=O 1 2.914 2 3 -10.8658192146269 4793294 COC1=C(C=C(C=C1)Cl)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 3.556 2 3 -15.1114262472932 4793252 CC1=C(C=C2C(=CC(=O)OC2=C1)CNC3=CC(=CC=C3)OC)C(C)C 1 4.916 1 3 -3.59393858025534 4793173 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSC2=NC3=C(C=CC=C3C)C(=C2)C)N 1 2.502 5 4 0 -11.3420249976284 4793149 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3CC3)S(=O)(=O)N4CCCCC4 1 2.658 5 3 0 -25.2687999993627 4793098 CCN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC(=C(N=C2)Cl)Cl 1 2.6 3 3 -11.4508830012122 4793086 C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NCCC3=CC=C(C=C3)F 1 3.342 5 1 -16.032541653126 4793084 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=C(C=C3)OCC 1 2.978 2 5 0 -14.1705408465748 4793071 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NCCOC2=CC=CC=C2OC 1 3.114 2 4 -13.8770052207214 4793069 CN(CC1=C(C=CC(=C1)Br)OC)C(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2 1 3.527 2 3 -9.57983371855232 4793017 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C)N 1 2.016 5 4 0 -10.2261443503062 4792992 CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 3.976 3 4 0 -20.6816458960763 4792971 CC1=C(C=CC(=C1)Br)SCC(=O)NNC(=O)C2=CC=CO2 1 2.894 2 3 -9.13464083715649 4792909 C1=CC=C2C(=C1)C(=CN2)C(=O)OCC(=O)NC3=CC=C(C=C3)F 1 2.82 2 3 -5.49796613492662 4792903 CN(C)CCNC1=C2C=C(SC2=NC=N1)C3=CC=CC=C3 1 3.408 4 0 1.88072738126197 4792896 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CNC3=CC=CC=C32)C 1 3.587 2 3 -6.45775797503198 4792887 CCOC(=O)N1C=C(C=N1)C(=O)C2=CC=CC=C2O 1 2.418 2 4 -0.247387050633746 4792884 CN1C2=C(N=C1C3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)CC4=CC=CC=C4 1 3.934 4 3 0 -0.809445043514356 4792870 CC(C)(C)OC(=O)N1C=C(C=N1)C(=O)C2=CC=CC=C2O 1 3 2 4 -2.0605953476627 4792805 C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCCOCCO 1 -8.2e-002 3 4 0 -16.9099734269309 4792793 CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3CCCO3 1 2.96 2 4 -19.0162337381346 4792771 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CNC(=O)C=C3 1 -0.11 3 5 0 -22.5564740869478 4792768 CN(CC1=CC=CS1)S(=O)(=O)C2=C(C=C(C=C2)Cl)F 1 3.14 1 2 -1.45304901580562 4792737 CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)CNC(=O)C2=CC=CS2 1 1.744 4 3 0 -19.5859639789299 4792716 CC1=CSC(=N1)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C 1 3.31 3 2 -13.3776257198994 4792687 C1=COC(=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)C(F)(F)F 1 2.26 2 3 -8.29612399646344 4792680 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CCC(=O)C3=CC=C(C=C3)F 1 3.128 5 3 0 -8.34445101509566 4792670 CC(C)CC1C(=O)N(C(=O)N1)CC2=CC=C(C=C2)C(=O)OC 1 2.2 2 4 -10.1331353465882 4792664 C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=C(C(=C3)C(=O)NCC4=CC=C(C=C4)F)Cl 1 3.567 3 3 -9.98860903748672 4792651 C1CCC(C1)NC(=O)COC2=NC=NC3=C2C=C(C=C3)Br 1 3.121 3 2 -2.99027771148504 4792629 CC1=CC(=CC(=C1)C(=O)NCC(=O)NNC(=O)CSC2=CC=CC=C2F)C 1 2.502 3 3 -16.6566590646744 4792621 CSCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)C3=CC=CN3 1 3.47 1 4 -4.40356020538744 4792613 C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl 1 3.009 2 5 0 -14.2419567425242 4792590 CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)CCNC(=O)C2=CC=CC=C2 1 2.039 4 3 0 -19.5896073724759 4792588 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2(CCCCC2)N3CCCCC3 1 2.719 3 3 -17.2422895005611 4792573 COC(=O)CCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3 1 1.932 3 4 0 -17.152463689054 4792570 CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NC(=O)NC3CCCCC3 1 2.689 6 2 0 -5.65010224554347 4792564 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3O)OCO4 1 3.414 2 5 0 -6.80310377022701 4792536 CCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)NC(=O)C1=O 1 1.602 3 3 0 -12.7234330966459 4792528 C1CN(CCN1C(=O)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CS3 1 2.279 2 3 -17.9191161175575 4792521 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F 1 5.02 2 2 8.1092671660516 4792414 C1CC(OC1)CNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4Cl 1 4.241 3 2 -12.8067193047644 4792409 CC1=CC(=NC=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)F 1 3.848 2 1 2.65788624195988 4792396 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)C2=C(N=CC=C2)OCC 1 2.621 3 3 -17.8679507470478 4792390 CC1=CC(=CC=C1)OCC(=O)NCC(C)(C)N2CCOCC2 1 1.768 2 3 0 -11.0404992595751 4792362 COC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 1.719 3 4 0 -7.1145032790537 4792360 COC1=C(C=C(C=C1)Cl)C(=O)NCCCSC2=CC=CC=C2 1 3.938 1 2 -7.92995403099634 4792334 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N2CCCC2 1 2.165 2 2 -8.67044600099923 4792309 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)N(C)CC(=O)NC3=CC=CC=C3Br 1 2.611 3 4 0 -14.9792116416011 4792302 CC1=CC=CC(=C1)C(=O)NCCC(=O)N2CCC3=CC=CC=C3C2 1 2.696 2 2 -16.0111519975528 4792297 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCCC4=O)OC 1 2.854 3 4 0 -24.9939852646004 4792295 CC1CN(CC(O1)C)C(=O)CN(C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.563 2 4 0 -14.8515396592154 4792286 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=C(C=CC(=C3)C)C 1 3.098 4 3 0 -7.90622709068542 4792267 C1=CC=C(C=C1)SCCCNC(=O)C2=CC=C(C=C2)C#N 1 3.169 2 1 -11.3427116330669 4792252 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC3=C(C=CC(=C3)[N+](=O)[O-])OC 1 2.673 4 6 0 -23.6835110230122 4792203 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3F 1 3.063 2 2 -9.32950482407128 4792197 CCC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=O)C2=C(OC(=C2)C)C 1 1.508 2 5 0 -15.8002135218411 4792189 CNC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 1.799 3 7 0 -20.7642742926384 4792186 CN(CC1=C(C=C(C=C1)OC)OC)C(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2 1 2.762 2 4 -9.69396249260176 4792177 C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O 1 3.834 2 5 0 -3.69960254165298 4792171 COC1=CC=CC=C1CCNC(=O)C2=CC(=CC=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCCC4 1 3.545 4 4 0 -21.5772110246613 4792170 COC1=CC=CC=C1CCNC(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCCC4 1 3.545 4 4 0 -21.4523700460005 4792163 CCOC(=O)C1=C(NC(=C1C)C(=O)CN(C)CC(=O)NC2=CC=CC=C2Cl)C 1 3.097 3 4 0 -10.3358889853261 4792127 CSCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3CCCCC3 1 3.747 1 4 -8.80521928940015 4792113 CS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 2.273 3 4 0 -14.0364859421209 4792082 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3F 1 3.317 2 3 -23.2360981776795 4792079 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=CC=C2)Cl)N 1 1.075 4 4 0 -6.59755335126931 4792068 CN1C(=C(C(=O)N(C1=O)C)C(=O)NC2=CC(=CC=C2)Cl)N 1 0.589 4 3 0 -8.69998490316969 4791981 CC1=CC=C(C=C1)N2C(=CC(=N2)C)NS(=O)(=O)C3=CC=CC=C3OC 1 3.421 3 3 -7.00202836878391 4791912 CN(CCOC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3 1 2.644 1 4 -6.48996632178893 4791947 CCOC1=C(C=C(C=C1)C(=O)NNC(=O)CNC(=O)C2=CC=C(S2)C)OC 1 1.346 3 5 0 -19.593559027369 4791929 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC3 1 2.179 2 4 -9.27803889542496 4791928 CC(C)N1C(=CC=N1)NS(=O)(=O)C2=CC=CC=C2 1 1.818 3 2 0 -12.2380921476168 4791922 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CSC3=NC=NC4=C3C=CS4 1 3.071 4 2 -8.38781404425002 4791906 CC(C)(CNC(=O)CNC(=O)C1=C(C=C(C=C1)Cl)Cl)N2CCOCC2 1 1.835 3 3 0 -13.4059122785955 4791901 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NCC(C)(C)N2CCOCC2 1 1.907 3 3 0 -14.3552644772103 4791895 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N(C)CCOC2=CC=CC=C2 1 3.336 2 3 -9.71057866347214 4791894 CN(CCOC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 3.574 2 4 -17.4766207559713 4791893 CN(CCOC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-] 1 3.393 3 4 0 -6.59885696631097 4791892 CCOC1=C(C=C(C=C1)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OC 1 2.721 2 5 0 -23.6165038466995 4791865 CC1=C(C(=NO1)C)CSCC(=O)OCC(=O)NC2=C(C=CC(=C2)C(C)(C)C)OC 1 2.988 2 5 0 -19.590646561392 4791852 CC1=C(C=CC(=C1)OCC(=O)NCC(C2=CC=C(C=C2)F)N3CCOCC3)Cl 1 3.668 2 3 -13.8086539968692 4791849 CCN1C(=NN=C1SCC(=O)NCCCN2CCCC2=O)C3=CC(=CC=C3)C 1 2.019 5 2 0 -25.7467310599469 4791848 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C(=O)C 1 0.803 5 2 0 -15.8831152306725 4791841 CC1=CC=C(C=C1)C(=O)NC(C)C2=CC=C(C=C2)N3C=CN=C3 1 3.155 3 1 -7.83430877666887 4791826 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N(C)CC3=CC=C(C=C3)F 1 2.807 3 3 -17.5340303048131 4791796 CN1C=CC=C1C(=O)OCC2=CC=C(C=C2)F 1 3.065 1 2 -2.91956079777048 4791792 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC3=C(C=CC(=C3)Cl)Cl)C 1 3.586 2 3 -9.94633016673486 4791786 COC1=CC(=C(C=C1)NC(=O)COC(=O)CN2C=NC3=CC=CC=C3C2=O)OC 1 1.267 3 6 0 -14.7925488756693 4791782 C1=CC=NC(=C1)CNC2=C3C=CC(=CC3=NC=C2)Cl 1 3.137 3 0 1.20433704880889 4791777 C1=CC(=CC=C1CCNC2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)N 1 3.099 3 2 -4.60433453653944 4791774 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCCOC3=CC=CC=C3 1 2.97 2 3 -15.5847230901761 4791754 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.369 2 3 -6.92781699485233 4791734 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=C(C=C2)C(F)(F)F)N 1 2.995 4 3 0 -7.58820946268935 4791728 CC(CCC1=CC=CC=C1)NC(=O)C2=CC(=C(N=C2)Cl)Cl 1 4.163 2 1 -8.06093706081009 4791722 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=CC(=C2)C)C)N 1 1.383 4 4 0 -9.60647766052148 4791718 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=C(N=C3)Cl)Cl 1 2.213 4 3 0 -11.502897247395 4791699 CSCCC(C(=O)N1CCCCCC1)NS(=O)(=O)C2=CC=CC=C2F 1 2.397 2 3 -22.3174695476641 4791683 CC1=CC=C(C=C1)SCC(=O)NCC2COC3=CC=CC=C3O2 1 3.38 1 3 -9.06238274863726 4791649 CC(CNC(=O)CN1C(=O)C2(CCOC3=CC=CC=C32)NC1=O)C4=CC=CC=C4 1 1.875 3 4 0 -12.0444249448872 4791634 CC1=NN(C(=C1C(=O)OCC(=O)N(C)CC2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)F 1 3.691 3 4 0 -8.91485266880132 4791592 CC1=CC=C(S1)C(=O)NCC(=O)N(C)CC2=CC(=CC=C2)F 1 2.191 2 2 -9.89408748734719 4791544 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CC3=C(C=CC=C3Cl)F 1 2.635 1 5 -12.384929056122 4791511 C1=CC=C2C(=C1)C=CC=C2CC(=O)NCC(=O)NCC3=CC=CC=C3F 1 2.83 2 2 -14.3724313352062 4791502 COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NC3CCCCC3 1 3.919 2 3 -1.75033962400217 4791452 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C4=CC=CC=C4)C 1 4.466 4 2 0.248026562236571 4791416 CCN(CC(=O)NCC1=CC=CS1)CC(=O)NC2=C(C=CC(=C2Cl)C)Cl 1 3.503 3 2 -12.7162945090478 4791317 CCOC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)CC3=CC(=C(C(=C3)OC)OC)OC 1 2.773 3 6 0 -7.3830630994674 4791314 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=CC=C2)Cl)N 1 2.717 4 3 0 -8.26454668365616 4791311 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=CC=C2)F)N 1 2.258 4 3 0 -9.91292701451148 4791310 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=C(C=C(C=C2)F)F)N 1 2.464 4 3 0 -7.44030575014278 4791288 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=C(C=C(C=C2)F)F)N 1 0.822 4 4 0 -5.77331241775592 4791287 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=CC=C2)F)N 1 0.616 4 4 0 -8.24593368212462 4791237 CC1=CSC(=N1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3 1 2.934 2 3 -6.32772489520822 4791193 CC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OC 1 2.095 2 4 -11.0831777484208 4791192 CC1=CC(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.776 2 3 -6.96056729536074 4791167 CN(C1CCCCC1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.89 2 5 0 -22.0609562847786 4791129 CC1=CC(=C(C(=C1C)S(=O)(=O)NCC(=O)NCC2CCCCC2)C)C 1 3.934 2 3 -14.1788984578044 4791070 CC1=CC(=CC=C1)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 3.511 1 3 -6.82011420685872 4791045 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC=CC=C2F 1 2.076 4 3 0 -10.0847088240357 4791043 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=CC=C2)C 1 2.356 4 3 0 -9.7600221270563 4791039 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC(=CC=C2)F)N 1 1.552 4 3 0 -8.77993705686768 4791036 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC(=CC=C2)C)N 1 1.833 4 3 0 -9.42661929589904 4791035 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC=C(C=C2)C)N 1 1.833 4 3 0 -10.0509863923778 4791029 CCN(CC)C1=CC=C(C=C1)NC(=O)C2=C(ON=C2C)C 1 2.356 3 2 -14.434362445903 4791027 CC1=C(C(=NO1)C)C(=O)NC2=CC=C(C=C2)NC(=O)C 1 0.617 3 3 0 -12.669607942785 4791020 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(C=C2)F)N 1 0.616 4 4 0 -8.80510599216954 4791019 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC(=CC(=C2)C)C)N 1 2.319 4 3 0 -10.1404810352645 4791018 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC=CC=C2C)N 1 1.833 4 3 0 -10.6477867934205 4791017 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=CC=C2)N 1 0.411 4 4 0 -10.3126305851441 4791016 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=CC=C2)C(F)(F)F)N 1 1.353 4 4 0 -5.91863636594323 4791014 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC(=C(C=C2)Cl)Cl)N 1 2.675 4 3 0 -8.32920576156209 4791005 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=CC=C2F)N 1 0.616 4 4 0 -9.21730261813535 4790937 CCC1=CC=C(C=C1)C(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)C 1 3.76 2 3 -4.9343550868466 4790896 CC1=CC=CC(=C1)C(=O)NCCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 2.508 3 4 0 -14.1364047323347 4790904 CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2=CC=CS2)F 1 3.215 1 2 -8.0315349512369 4790900 CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=CC=C2)F 1 2.614 2 2 -11.1273687002443 4790851 CC1=C(C=C(C=C1OC)C(=O)N2CCNC(=O)C2)OC 1 0.575 2 4 0 -19.226192347361 4790800 CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC(=CC=C2)C)F 1 3.1 2 2 -10.4820047570324 4790799 CC1=CC=CC(=C1)C(=O)NCCC(=O)NC2=CC=CC(=C2)C(=O)C 1 2.148 2 3 -14.3202744606509 4790716 CC(=O)NC1=CC=C(C=C1)OC2=NC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.477 3 4 0 -16.6492700749926 4790715 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)OC3=CC=CC(=C3)C#N 1 2.235 3 3 -13.8412377403278 4790685 COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5 1 4.5 4 6 0 -18.3120011090851 4790600 CCOC1=C(C=C(C=C1)CN(C)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)OC 1 3.838 4 2 -0.568053398906297 4790578 CC(C)NC(=O)CC1(CCCC1)C(=O)NCC2=CC=C(C=C2)Cl 1 3.191 2 2 -12.9349679819702 4790508 C1C(OC2=CC=CC=C2O1)CNCC(COC3=CC=CC=C3F)O 1 2.574 1 4 -2.65031601326009 4790516 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC(=CN=C2)Br 1 2.244 3 2 -12.5717908984344 4790483 CC(C)CC1=CC=C(C=C1)C(C)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)OC 1 3.731 3 4 0 -5.19900061010603 4790472 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=CC=CC=C4OC 1 2.878 5 3 0 -13.611354328138 4790292 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=CC=C(C=C3)OC 1 2.904 2 6 0 -8.0524843787325 4790288 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 3.127 3 5 0 -10.9178049844512 4790279 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC 1 2.62 2 7 0 -16.4656059620844 4790230 C1=CC=C(C(=C1)C(=O)NCC2=CC=NC=C2)NC3=CC=C(C=C3)SC(F)F 1 4.384 3 1 -6.88778744479014 4790173 CCC1(C(=O)N(C(=O)N1)CC(=O)NCC(=O)NC2=C(C=C(C=C2C)C)C)C 1 1.52 4 4 0 -15.8746804585769 4790151 CC1=CC(=NN1CC(=O)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl)C 1 1.965 4 3 0 -13.9274246329415 4790142 COC1=C(C=C(C=C1)S(=O)(=O)NCCN2CCOCC2)Br 1 1.299 2 4 0 -7.36302450871983 4790140 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Br)CO 1 2.628 2 5 0 -18.4934505120031 4790135 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Br)CO 1 2.171 2 5 0 -18.138981997835 4790133 C1CCC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=CC=C3)Cl)Cl 1 3.162 2 3 -14.6957450371881 4790131 COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.175 2 4 -17.7276832025425 4790129 CN1C2=C(N=C1C3=CC(=CC=C3)F)N(C(=O)NC2=O)CC4=CC=CC=C4 1 3.408 4 2 3.1881914073493 4790093 C1=CC=C(C=C1)C(CCNC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C3=CC=CC=C3 1 3.862 3 2 -20.364824106004 4790076 C1=CC=C(C=C1)CC(=O)NCC(=O)NC2=CC=CC(=C2)C#N 1 1.588 3 2 0 -13.5199468034675 4790056 C1CCC(C1)NC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-] 1 2.693 3 2 -2.73943589109507 4790014 CC1=CC(=CC=C1)OCCCC(=O)NNC(=O)C2=CC=CC=N2 1 2.04 3 3 -10.4040896182702 4789987 CC1=CC(=C(C=C1Cl)OC)NCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.987 3 4 0 -20.4086856885354 4789963 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 1.681 3 4 0 -10.6965347346737 4789876 CC1=CC(=CC(=C1)C(=O)NCC(=O)N(C)CCOC2=CC=CC=C2)C 1 2.908 2 3 -12.9791751930635 4789872 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C=NN=N3)Br 1 1.936 5 3 0 -13.4863331876509 4789868 COCCN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 2.068 5 2 0 -17.6023350142304 4789826 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC(=O)C3=CC=C(S3)Br)F 1 1.403 3 5 0 -19.8762727073445 4789801 CC(C)(C)NC(=O)COC1=CC2=C(C=C1)OC3=C2CCCC3 1 3.491 1 3 -12.0298723993532 4789793 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)CC(C)C 1 2.751 3 6 0 -19.3550376810363 4789786 CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 2.428 3 4 0 -16.1665027970539 4789764 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=C(S3)Br 1 1.971 3 4 0 -19.041746063065 4789751 CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC=CS2 1 1.497 3 4 0 -17.7511171476981 4789746 CC1=CC(=CC(=C1)NC(=O)COC(=O)CCN2C(=CSC2=O)C)C 1 2.08 2 4 -14.9363449774844 4789736 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2C#N)C3CC3 1 0.828 4 3 0 -9.78963645331191 4789729 CC1=C(C=CC(=C1)Br)NC(=O)CN2C(=O)C3CC=CCC3C2=O 1 2.305 2 3 -9.45974305422615 4789728 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3CC3 1 1.755 2 4 0 -11.8779992398785 4789713 CCOC1=CC=C(C=C1)C(=O)NNC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 0.743 4 5 0 -11.6006767698309 4789701 C1=CC=C(C=C1)C(=O)NNC(=O)C2=NNC3=CC=CC=C32 1 1.943 4 2 0 -12.4087342336761 4789691 CCC1=C(C=C(S1)C(=O)NNC(=O)CNC(=O)C2=CC=CC=C2F)C 1 2.388 3 3 -16.6516187354013 4789683 CC(=O)NC1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)OC)OC 1 3.318 3 4 0 -13.037281469494 4789633 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2CCCC2 1 3.223 1 3 -8.77396187302497 4789617 CC1=CC=CC=C1NC(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O 1 2.38 3 3 -8.64059696124638 4789612 CC(=O)NC1=CC=C(C=C1)SCC(=O)NC(=O)C2=CC=CC=C2Br 1 2.748 2 3 -8.66705920052879 4789558 CC(=O)NC1=CC=C(C=C1)SCC2=NC=C(O2)C3=CC=CC=C3 1 2.976 2 2 1.12288009242064e-002 4789538 C1=CC=C(C(=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)F 1 3.521 4 0 3.93391085187269 4789493 CCC1=C(C=C(S1)C(=O)NC2=C(C=CC=N2)C)C 1 3.741 2 1 -4.26869180417851 4789482 C1=CC(=CC=C1C(=O)NCC(=O)C2=CC=C(C=C2)Cl)F 1 3.163 1 2 -4.43096319693487 4789383 C1CC(=O)N(C1)CC(=O)N2C=C(C=N2)C(=O)C3=CC=CC=C3O 1 0.947 3 4 0 -12.2644363256626 4789348 CCN(CC1=CC=CC=C1)C(=O)CC2=CNC3=CC=CC=C32 1 3.504 2 1 -9.80921126009595 4789335 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CC=CC=C3 1 2.477 2 3 -17.4965276231264 4789298 COC1=NC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 2.681 5 1 3.07129586435213 4789291 CCN(CC(=O)NCC1=CC=CS1)CC(=O)NC2=CC=CC=C2C 1 2.174 3 2 -16.8537649836379 4789289 CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NC2=C(N(N=C2C)C)C)C(=O)OC 1 1.67 3 6 0 -8.31872781957785 4789278 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=O)CC2=CC(=CC=C2)F 1 1.566 3 4 0 -8.23316390053088 4789256 CC(C)C(C(=O)NCCC1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC=C(C=C3)OC 1 3.099 2 5 0 -22.5946588267464 4789213 CCC1=CC=C(C=C1)C(=O)NNC(=O)CCC2CCCCC2 1 3.977 2 2 -12.3780805193777 4789127 CC1=C(C=C(C=C1OC)C(=O)NC(C)C2=CC=C(C=C2)N3C=CN=C3)OC 1 3.122 3 3 -9.27612125086238 4789111 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(COC(C3=CC=CC=C3)C4=CC=CC=C4)O 1 4.243 2 3 -9.12063701829775 4789108 CC1=CC=CC=C1C(C2=CC=CC=C2)OCC(CN3CCN(CC3)C4=CC=C(C=C4)C(=O)C)O 1 4.729 2 3 -9.7094756479905 4789051 CC1=CC=CC=C1C(C2=CC=CC=C2)OCC(CN3CCC(CC3)C(=O)N)O 1 2.834 2 3 -9.31200750463247 4789027 C1=CC=C(C=C1)CCN2C(NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.453 3 3 -9.05399439711295 4788970 CN(CC1=CC=CC=C1F)C(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.272 1 3 -8.01759703195084 4788966 CC1CN(CC(O1)C)C2=C3C=CC(=CC3=NC=C2)Cl 1 3.285 2 1 -0.67771287153829 4788964 CN1CCCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-] 1 1.294 4 2 0 1.40037834616132 4788939 C1CCC(CC1)(CNC(=O)CCC(=O)C2=CC=C(C=C2)F)N3CCCCC3 1 3.969 2 2 -11.6693911670854 4788934 CC1=C(C=CC(=C1)C(=O)NCC(C2=CC=CO2)N(C)C)[N+](=O)[O-] 1 2.458 3 4 0 -11.6344243518636 4788919 CC(C(=O)NC1=C(C=C(C=C1)F)Cl)N(C)CCOC2=CC=CC=C2 1 3.942 2 2 -4.0398259840524 4788903 COC1=C(C=C(C=C1)NC(=O)CNC(C2=CC=CC=C2)C3=CC=CC=C3)Cl 1 4.264 2 2 -7.6562730022921 4788898 CN(CC1=C(C(=C(C=C1)OC)OC)OC)C2=C3C=CSC3=NC=N2 1 3.347 3 3 -2.99463929088948 4788892 CC1=CC(=C(C=C1)NC(=O)CSCC(=O)NCCC2=CC=CC=C2)C 1 3.368 2 2 -15.4857927024744 4788849 COC1=CC=C(C=C1)CCN2C(SCC2=O)C3=CC=C(C=C3)F 1 3.756 1 2 -7.39606808704665 4788841 C1=CC=NC(=C1)CCNC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.093 3 2 -1.82304383574297 4788800 CC1=C(C(=NO1)C)C(=O)NC2=CC=CC3=C2C=CC=N3 1 1.683 3 2 0 -11.2429446925647 4788798 COC1=CC=C(C=C1)CCNC(=O)CN2C(=O)C3(CCOC4=CC=CC=C43)NC2=O 1 1.54 3 5 0 -10.952234043486 4788762 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC(=CC=C2)Cl 1 1.41 3 4 0 -11.3818441838935 4788720 COC1=CC=CC(=C1)CNC(=O)CCCSC2=CC=CC=C2 1 3.568 1 2 -12.4126903734627 4788667 CC1=CC=C(C=C1)C(=O)NCC(=O)N2CCCCCC2 1 2.163 2 2 -11.6030486642786 4788644 CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)Cl 1 3.604 1 3 -4.41211743301369 4788611 CN(CC1=C(C=CC=C1Cl)F)S(=O)(=O)C2=CC=CS2 1 3.186 1 2 -6.37706164147939 4788578 CC(C1=CC=CC=C1OC)NC(=O)CNC(=O)C2CCCCC2 1 2.504 2 3 -15.4607774108731 4788517 COC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 4.026 2 4 -11.6031872690221 4788453 CC1=CC(=C(C=C1)C)S(=O)(=O)NC(C)CCC2=CC=CC=C2 1 4.451 1 2 -7.41965491786292 4788430 CC(C)C(C(=O)N1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.934 2 3 -17.9612766653785 4788428 C1CN(CC2=CC=CC=C21)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4 1 4.002 2 2 -16.5066021672039 4788426 C1CN(CC2=CC=CC=C21)C(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.29 2 2 -11.0232828480557 4788383 CN(C)C1(CCCCC1)CNC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC 1 4.442 2 3 -12.8406575417823 4788357 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCCN2C=CN=C2)[N+](=O)[O-] 1 1.151 5 4 0 -12.6216926992591 4788338 C=CCSC1=NN=C(S1)NC(=O)CCNC(=O)C2=CC=CO2 1 1.492 4 3 0 -24.0763449787327 4788337 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCNC(=O)C2=CC=CO2)OC 1 1.14 2 7 0 -20.7821862948588 4788334 CCC1=NOC(=C1C(=O)N(CC)CC(=O)NC2=CC=C(C=C2)OC)C 1 1.761 3 4 0 -18.9773357554125 4788176 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N(C)CC2=CC=CC=C2F 1 3.741 2 2 -10.6959979370719 4788158 CN1CCN(CC1)C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC 1 4.05 3 2 9.97429996450906 4788144 CC1=CC(=C(O1)C)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.304 1 4 -13.2400132350085 4788123 CCCN1CCN(CC1)C(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.367 3 2 -12.2422425218564 4788112 CC(C(=O)NCC1CCCCC1)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.423 3 3 -23.3313110232391 4787880 C1=CC=C2C(=C1)C=CC=C2CC(=O)NCC(=O)NCC3=CC=C(C=C3)F 1 2.83 2 2 -11.9316395181722 4787876 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 2.546 4 4 0 -13.0860462026518 4787861 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.904 1 5 -9.57903183316017 4787851 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NCC2=CC=CC=C2OC 1 2.469 1 4 -14.7362593983669 4787849 COC1=C(C=CC(=C1)C(=O)N2CCCCC2)OCC(=O)NC3=CC=C(C=C3)F 1 2.97 2 4 -13.2484154122451 4787843 COC1=CC=CC=C1OCC(=O)N2CCCCCCC2 1 2.892 1 3 -10.1478837217939 4787831 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSCC(=O)NC3=NOC(=C3)C)C 1 2.437 4 3 0 -14.0583526689021 4787827 C1CCN(C1)C(=O)CCNS(=O)(=O)C2=C(C=CC=C2Cl)Cl 1 2.044 2 3 -10.0400874073458 4787826 CC(C1=CC=CC=C1)NC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.068 2 3 -23.698332652924 4787820 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC 1 4.158 2 5 0 -16.0976878619436 4787819 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 4.669 1 3 -5.26474395575836 4787818 CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC 1 3.676 2 4 -18.8556316718611 4787817 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)F 1 3.825 2 4 -14.9640992242682 4787813 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N(C)CC2=CC=CC=C2F 1 2.109 3 3 -19.1757044164938 4787805 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2CCCC2 1 1.355 3 3 0 -11.9183468837343 4787702 CC1=CC=C(S1)C(=O)NCC(=O)NCCCC2=CC=CC=C2 1 2.557 2 2 -14.4605456316191 4787701 CC1=CC=C(C=C1)C(=O)NCC(=O)NCCCC2=CC=CC=C2 1 2.944 2 2 -14.5990787263113 4787696 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)CC(=O)NCCC3=CC=CC=N3 1 2.418 3 3 -18.7609386121826 4787678 CN1C2=CC=CC=C2N=C1CC(=O)NNC(=O)C3=C(C=C(C=C3)F)F 1 2.445 4 2 -4.36216449427173 4787638 C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C#N 1 4.283 2 1 -7.33105696329358 4787633 CN(CC1=CC=C(C=C1)SC)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.898 1 1 -2.51883245091129 4787631 CN(CC1=CC=C(C=C1)SC)CC(=O)NCC2=CC=CC=C2OC 1 3.072 2 2 -7.7076637709254 4787628 CC(C)(CNC(=O)CC1=CC(=C(C(=C1)OC)OC)OC)N2CCOCC2 1 1.432 2 5 0 -16.5362917463783 4787620 CC1(C(=O)N(C(=O)N1)CC(=O)NCCC2=CCCCC2)C3=CC=CC=C3Cl 1 3.128 3 3 -12.7613729788332 4787608 CC(C(=O)NCC1CCCCC1)N(C)CC2=CC=C(C=C2)SC 1 4.178 2 1 -3.33903130627886 4787529 CN(C)C(CNC(=O)C1=CC=C(C=C1)C2SCCS2)C3=CC=CC=C3 1 3.969 2 1 -9.06991701400023 4787525 CS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3 1 3.93 1 3 -11.495283770238 4787521 CC1=C(C=C(C=C1)NC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC)S(=O)(=O)N(C)C 1 2.659 2 6 0 -18.3973901562781 4787336 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)CSC2=NC3=CC=CC=C3N2 1 3.245 3 3 -9.44314868965856 4787324 CCC1(C(=O)N(C(=O)N1)CC(=O)N(C)CC2=C(C=CC=C2Cl)F)C3=CC=CC=C3 1 3.319 3 3 -12.7401168068732 4787271 CC1CCC(CC1)NC(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32 1 3.151 2 2 -14.570807508328 4787241 CC(C)CN1C(=CC(=O)N=C1SCC2=CC(=C(C=C2)OC)F)O 1 4.064 2 3 -13.5387787570062 4787027 CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.233 2 3 -14.9570151922015 4787057 CCOC1=C(C=C(C=C1)CN(C)C(=O)CNC(=O)C2CCCCC2)OC 1 2.665 2 4 -15.7185567659224 4787056 CCOC1=C(C=C(C=C1)CN(C)C(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2)OC 1 3.111 2 4 -15.2558129749492 4786962 C1=CN(C=N1)CCCNC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 0.814 4 3 0 -2.53034079769177 4786959 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CCNC(=O)C2=CC=CO2)C 1 1.618 3 5 0 -21.2452779895795 4786936 C1=CC2=C3C(=C1)C(=O)N(C3=CC=C2)CC4=CC(=CC=C4)F 1 3.687 1 1 4.24573028938491 4786921 CC(C)(C)OC(=O)CN1C(=O)C(NC1=O)CC2=CNC3=CC=CC=C32 1 2.017 3 4 0 -9.45223857301574 4786896 C1CCC(C1)CCC(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.245 2 3 -7.37878150371023 4786895 CC1CCC2=C(C1)C=C(S2)C(=O)NCCCN3C=CN=C3 1 2.43 3 1 -8.14138519587737 4786886 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)C)C3=CC4=CC=CC=C4C=C3 1 1.207 4 3 0 -3.56332098292021 4786884 COC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)NCC3=CN=CC=C3)OC 1 2.058 3 5 0 -18.8073856482507 4786882 CC1=CC(=CC(=C1)NC(=O)CCN2C=CN=C2)C 1 1.78 3 1 0 -4.32277567813454 4786878 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3O 1 2.306 3 6 0 -11.8652435941144 4786870 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NCC2=CC=C(C=C2)Cl 1 3.149 1 3 -10.38703666757 4786865 CCCCC(CC)CNC(=O)CN1C(=O)C2(CCC3=CC=CC=C32)NC1=O 1 3.334 3 3 -12.3961145785575 4786863 CC(=O)N1CCN(CC1)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4Cl 1 2.518 4 3 0 -15.0970629417639 4786779 CC1=CC(=NC2=CC=CC=C12)SCC(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC(C)C)N 1 3.658 5 3 0 -11.8931376826931 4786776 CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3CCCC3 1 3.666 2 1 -8.22485261198923 4786771 CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC=NC3=C2C=CS3)C 1 3.986 4 1 -17.0305147357261 4786767 CN(CC1=CC=CC=C1OC)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.557 3 4 0 -18.9886120546762 4786754 CC(C#N)SC1=NC=NC2=C1C=C(S2)C3=CC=CC=C3 1 4.217 3 0 -2.8529321478629 4786729 COC1=CC(=CC(=C1)C(=O)NNC(=O)CNC(=O)C2=CC=CS2)OC 1 0.851 3 5 0 -17.4142521921742 4786721 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(C)C 1 3.884 2 3 -11.1035278076241 4786714 CCOC1=C(C=C(C=C1)CN(C)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)C)OC 1 2.975 2 4 -17.7529195235021 4786695 CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C 1 2.692 2 5 0 -21.0773156303803 4786631 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C(C=CC(=C3)Br)Cl 1 3.993 2 3 -3.879852976174 4786610 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2CCCCC2 1 1.935 2 4 0 -17.0807482495681 4786601 CC1=CC(=NO1)C(=O)NC2=CC=CC=C2N3CCOCC3 1 1.492 3 3 0 -13.0062408286362 4786592 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC(=NC3=CC=CC=C32)C 1 3.115 3 2 -14.0940966641879 4786590 CCOC1=CC=C(C=C1)C(=O)CCC(=O)NCC(=O)NC2=C(C=CC=C2C)C 1 2.934 2 4 -16.1198952430384 4786581 CN(CC(=O)NC1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.365 3 3 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1 2.488 1 4 -8.08153319609427 4786293 C1CCC(C1)C(=O)NC2CCOC3=CC=CC=C23 1 2.52 1 2 -5.46756557646941 4786288 C1COC2=CC=CC=C2C1NC(=O)C3=CNC(=O)C=C3 1 0.321 2 3 0 -12.0657853605398 4786244 CN(CC1=CC=C(C=C1)F)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.779 3 3 -16.3957862574861 4786241 CN(CC1=CC=CC=C1F)CC(=O)NCC2=CC(=C(C=C2)OC)OC 1 2.719 2 3 -11.3259170289387 4786239 CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.003 1 6 0 -7.73854710358698 4786229 CC1CCN(CC1)C(=O)C(C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C 1 3.669 1 5 -4.04597968608009 4786217 C1CS(=O)(=O)CC1NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4 1 2.61 3 3 -17.6274266998968 4786182 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N3CCC4=CC=CC=C4C3 1 2.676 3 3 -25.5783409358493 4786168 CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)C)OCC 1 3.496 2 4 -21.7824183226355 4786165 CC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.04 3 4 0 -24.3744577516964 4786140 CCOC1=C(C=CC=N1)C(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl 1 2.579 3 4 0 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COC(=O)C1=CC=CC=C1S(=O)(=O)NNC(=O)C2COC3=CC=CC=C3O2 1 1.202 2 7 0 -11.9577866076128 4785899 CCN(CC(=O)NCC1=CC=CS1)S(=O)(=O)C2=CC(=CC=C2)Br 1 2.427 2 3 -22.7997008913181 4785880 CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3 1 4.13 1 5 -18.2480414220475 4785874 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC(=O)NCC3=CC=CC=C3 1 3.745 2 4 -19.0312554035936 4785862 CC1=C(NC(=C1C(=O)C)C)C(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 1.986 3 4 0 -9.38613138121173 4785847 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC(=O)NC4=CC=CC=C43 1 1.847 3 3 0 -12.8677045614011 4785816 CCOC1=C(C=C(C=C1)CN(C)C(=O)CNC(=O)C2=CC=C(O2)Br)OC 1 2.166 2 5 0 -18.9489852083187 4785801 C1CCN(C1)C(=O)CNC(=O)C2=CC=C(C=C2)Br 1 1.513 2 2 0 -10.8832412046252 4785787 C1=CC=C(C=C1)SCCCNC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-] 1 2.438 3 3 -10.2171380318712 4785782 CC(C)C(C(=O)N1CCC2=CC=CC=C2C1)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.256 2 4 -22.9412590256404 4785777 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-] 1 3.164 4 4 0 -15.3079145623277 4785776 CC(C)C(C(=O)N1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=CC=CC=C3F 1 3.197 2 3 -21.9899153729782 4785769 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.576 3 4 0 -17.7726852621991 4785700 CCCC1(C(=O)N(C(=O)N1)CC(=O)N(C)CC2=C(C=CC=C2Cl)F)C3=CC=CC=C3 1 3.775 3 3 -11.7069423892882 4785701 CN(CC1=CC=CO1)C(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 1.004 3 4 0 -12.4812082878547 4785702 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N(C)CC3=CC=C(C=C3)Cl 1 4.28 1 4 -1.69723669558998 4785725 CCC1=CC=CC(=C1NC(=O)CCNC(=O)C2=CC(=CC=C2)C)C 1 3.837 2 2 -15.2578577632097 4785681 CC1=C(C2=CC=CC=C2N1)C(=O)CN(C)CC(=O)NC3=CC=C(C=C3)OC 1 2.635 3 3 -3.37046996523849 4785679 CC1=C(C2=CC=CC=C2N1)C(=O)CN(C)CC(=O)NC3=CC(=CC=C3)OC 1 2.635 3 3 -3.1111587970756 4785664 CC1=C(C2=CC=CC=C2N1)C(=O)CN(C)CC(=O)NC3=CC=CC=C3SC 1 3.193 3 2 -8.75870363469751 4785644 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NC2CC2 1 1.899 2 3 0 -14.91834669131 4785625 CCOC1=CC=C(C=C1)OCCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC 1 3.285 1 5 -15.7138812548778 4785614 CCCN(S(=O)(=O)C1=CC=CC=C1F)S(=O)(=O)C2=CC=CC=C2Br 1 3.924 1 4 -5.44295908982813 4785477 CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=C(C4=CC=CC=C4O3)COC)C 1 3.379 3 5 0 -11.3267239108672 4785456 CS(=O)(=O)C1=CC(=C(C=C1)N2C3=CC=CC=C3N=N2)[N+](=O)[O-] 1 2.637 4 4 0 -9.25038018856737 4785455 CCOC1=C(C=C(C(=C1)NCCN2CCOCC2)[N+](=O)[O-])OCC 1 2.024 3 5 0 -10.0356918090819 4785451 CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32)C 1 4.263 3 3 -16.1493118139088 4785409 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 1.941 3 3 0 -15.0040258197443 4785368 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C2COC3=CC=CC=C3O2 1 3.152 2 4 -8.17740267792205 4785367 CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=C(C=C2)Br)C(=O)OC 1 2.501 2 4 -20.131390003832 4785362 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)CC2=CSC=C2 1 3.076 2 2 -13.9970956967618 4785347 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC(=O)NC3=CC(=C(C=C3)OCC)OCC 1 2.773 4 5 0 -19.6158873892258 4785346 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CC2=CSC=C2)OCC 1 2.242 2 4 -17.0623025348908 4785341 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3Br 1 2.644 2 4 -14.5583484661948 4785336 CCN(CC(=O)NCC1=CC=CS1)S(=O)(=O)C2=C(C=CC=C2F)F 1 2.09 2 3 -18.8544105638901 4785334 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CC2=CC=C(C=C2)F 1 3.099 2 3 -5.44173092513532 4785326 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCCCC3 1 3.573 2 4 -15.8849015926601 4785316 C1OC2=C(O1)C=C(C=C2)CNC(=O)CNS(=O)(=O)C3=CC=CC(=C3)C#N 1 1.031 3 5 0 -18.5132973269634 4785305 COC1=CC(=CC(=C1OC)OC)NC(=O)CNC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.567 2 4 -11.8424843451313 4785289 CCOC1=CC=CC=C1C(=O)NCC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3 1 3.525 2 3 -10.3589773911305 4785275 COC1=CC=C(C=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3 1 3.176 2 3 -7.9323279851065 4785262 CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3)C 1 3.277 2 3 -14.5587643261286 4785250 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3 1 3.139 2 3 -19.0537089503947 4785243 CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)OCC 1 3.07 2 5 0 -19.1101303122495 4785222 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC=C(C=C2)C#N 1 2.737 3 3 -8.62327931781481 4785202 CC1=CC=C(C=C1)OCCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3 1 2.475 2 5 0 -19.8831542949 4785200 C1C(OC2=CC=CC=C2O1)C(=O)NCC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 2.776 2 4 -5.44480668508446 4785180 CC1=C(C=C(C=C1OC)C(=O)NC2CCCC3=CC=CC=C23)OC 1 4.09 1 3 -7.18163817222053 4785168 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC3=C(S2)CCCCC3 1 3.663 4 3 0 -12.1534182621107 4785151 C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC=C4 1 2.888 1 3 -11.109047182916 4785111 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=NC=C(S3)C 1 1.522 3 2 0 -8.47032440665388 4785108 CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=NOC(=C3)C)C 1 2.008 4 4 0 -22.2473501100498 4785107 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC=C 1 2.553 4 2 -19.953332855268 4785094 CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC3=CC=CC=C3O2 1 3.964 1 2 4.56178201323398 4785081 CN1C=NN=C1SCC(=O)NC2CCCC3=CC=CC=C23 1 2.142 4 1 -21.0647745842193 4785059 COC1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 1.585 2 5 0 -13.2750460999464 4785048 CC1CC2=CC=CC=C2N1CC(=O)N(C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 1.719 5 3 0 -9.77603710082476 4785038 CC1=CC=C(S1)C(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl 1 2.957 2 3 -6.72168412671273 4785037 CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3C(=O)C(=O)N(C3=O)C4CCCC4 1 3.483 3 4 0 -15.6427311077401 4785034 CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3C=C2 1 3.927 1 3 -4.14087855867599 4785001 COC1=CC=CC=C1CNC(=O)COC2=C(N=CC=C2)[N+](=O)[O-] 1 1.723 3 5 0 -13.259844284843 4784972 CC1=C(C=CO1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 0.237 3 5 0 -10.5703323517618 4784924 CN(CC(=O)NCCC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CS2 1 1.681 2 4 0 -14.0305748547032 4784891 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5 1 4.313 3 2 -0.992046676163092 4784889 CC1=NN(C(=C1C(=O)NCCC2=CC(=C(C=C2)OC)OC)Cl)C3=CC=CC=C3 1 3.878 3 3 -10.9801013851069 4784888 CCN(CC(=O)NCC1=CC=CS1)C(=O)COC2=CC=CC=C2C#N 1 1.69 3 3 0 -21.6171587233455 4784872 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CN3C=CC=CC3=N2 1 2.408 4 2 -18.1101894892844 4784860 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.603 2 5 0 -17.4127504601033 4784857 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC(C2=CC=CO2)N(C)C 1 1.532 3 4 0 -13.3975486604826 4784853 CC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.52 2 2 -2.6754172965773 4784839 CN(CC1=CC=CC=C1Cl)C(=O)CCNC(=O)C2=CC=CO2 1 2.195 2 3 -13.1702097913956 4784836 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl 1 3.28 3 4 0 -18.9144912734609 4784834 CS(=O)(=O)NC1=CC=CC=C1C(=O)NCC2(CCCCC2)N3CCCCC3 1 2.719 3 3 -14.7638601248567 4784832 CN(C)C(CNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)C2=CC=CO2 1 2.636 3 4 0 -6.32938242522547 4784823 CCOC1=C(C=C(C=C1)COC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3)OC 1 3.184 1 5 -16.8178673256142 4784822 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2F)C3CC3 1 1.154 3 3 0 -8.50645179781917 4784816 CC(=O)NC(CC(=O)NCCOC1=CC=CC=C1F)C2=CC=CC=C2 1 2.131 2 3 -15.030911628402 4784804 C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)F)N3CCCCC3 1 4.014 2 1 -7.82101131847029 4784802 CC1=CC=C(O1)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 2.93 2 4 -19.2237024859703 4784800 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NCCOC4=CC=CC=C4F 1 1.933 2 5 0 -14.1754580370219 4784799 COC(=O)C1=CC(=CC=C1)NC(=O)CCNC(=O)C2=CC=CO2 1 1.173 2 5 0 -15.8905334981774 4784798 COC(=O)C1=C(C=CC(=C1)Br)NC(=O)CCNC(=O)C2=CC=CO2 1 1.921 2 5 0 -15.9139071211016 4784796 C1CC(=O)N(N=C1C(=O)NC2=CC=CC=C2N3CCOCC3)C4=C(C(=CC(=C4F)F)F)F 1 2.76 4 3 0 -13.5884174577459 4784792 COCC1=C(OC2=CC=CC=C21)C(=O)NCC3COC4=CC=CC=C4O3 1 2.9 1 5 -2.01320587998298 4784776 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5 1 2.794 3 4 0 -14.8461139213511 4784771 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C43)C 1 3.456 2 3 -19.4214785411303 4784750 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N3CCCC4=CC=CC=C43 1 3.723 2 2 -11.8556227256547 4784721 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N3C=CN=C3 1 1.687 4 3 0 -16.5540149437185 4784720 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N3C=CN=C3 1 0.979 4 3 0 -16.8374746403701 4784702 CC1(CC1(Cl)Cl)C(=O)NCCC2=CC=CC=C2OC 1 2.674 1 2 -10.1530563368976 4784665 C1=CC=C(C(=C1)CC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)Cl 1 1.809 2 4 0 -11.1694016410172 4784629 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 1.92 3 4 0 -12.1390089236684 4784621 CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4 1 3.84 1 5 -13.4508160768571 4784588 CC1=CN=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.523 3 3 -20.3537241749488 4784514 CC1=CC=C(N1C)CNS(=O)(=O)C2=CC(=C(C=C2)F)F 1 2.258 2 2 -5.84907988092551 4784435 C1COC(=O)C1OC(=O)C2=CC=C(C=C2)CO 1 0.804 0 5 0 -7.88909007154307 4784423 CSC1=CC=C(C=C1)C2N=C(NO2)C3=CC=CC=C3 1 3.288 2 1 3.89857605838407 4784405 C1CCN(C1)C2=NC(=O)C(S2)CC(=O)OCC(=O)NC3=CC=C(C=C3)Br 1 2.448 3 4 0 -13.5107653511823 4784353 C1=CC(=CC(=C1)OC2=NC=CN=C2)[N+](=O)[O-] 1 1.522 3 3 0 -2.90335646735346 4784231 CC(=O)C1=CC=CC=C1NCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC 1 2.032 3 5 0 -24.8568652207838 4784216 COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC)OC 1 2.41 3 6 0 -21.1019738645438 4784184 CN(CC1=CC(=CC=C1)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.299 1 5 -8.46150757340606 4784055 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CNC(=O)C=C3 1 0.765 3 2 0 -8.21945341876867 4784030 C1=CC=C(C(=C1)C(=O)NCC2=CC=CC=N2)OCC3=C(C=C(C=C3)Cl)Cl 1 4.582 2 2 -7.67549850828919 4783918 CC(C)OC1=C(C=C(C=C1Cl)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)OC 1 4.09 2 3 -5.20181304288371 4783834 C1=CC=C(C=C1)C2=CSC(=N2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 3.846 3 3 -11.29992363003 4783818 CC1=CC(=C(N1C)C)C(=O)COC(=O)CC2=CC=C(C=C2)Br 1 3.315 1 3 -8.34129814124542 4783799 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC=CC=C3F 1 3.181 3 3 -10.4605155278997 4783780 CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.941 3 5 0 -13.231408365615 4783778 CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O 1 4.032 1 5 -14.7422436874103 4783771 C1=CC=C(C=C1)C(C2=CC=CC=C2)NCC(=O)NCC3=CC=CC=C3Cl 1 4.287 2 1 -12.1126047743342 4783765 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CC2=CC3=C(C=C2)OCCO3 1 1.691 4 5 0 -13.1389325032134 4783763 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C 1 2.525 6 3 0 -13.355458172611 4783727 CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3SC 1 4.981 1 1 -9.39041038974181 4783708 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)Cl 1 2.978 2 4 -6.01330855757074 4783685 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2CC2(Cl)Cl 1 1.179 2 3 0 -10.4742714457305 4783683 CC1=CC(=C(C(=C1)C)NC(=O)CCC2=C(ON=C2C)C)C 1 3.446 2 2 -18.290221393927 4783682 CC1=CC(=C(C(=C1)C)NC(=O)CSCC2=C(ON=C2C)C)C 1 3.355 2 2 -17.5982198210516 4783651 COC1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)(C3)Br 1 3.629 1 2 -6.54500226117389 4783611 CC(C)(C)NC(=O)CC1(CCCC1)C(=O)NCC2=CC=C(C=C2)OC 1 2.715 2 3 -14.2497135060471 4783590 COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2COC3=CC=CC=C3O2 1 2.406 1 6 0 -9.90516237077014 4783586 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC3=C(S2)CCC3 1 2.751 4 3 0 -11.490139627058 4783568 CC12CCC(=O)N1C(CS2)C(=O)NC3=NC4=CC=CC=C4S3 1 1.544 3 2 0 -4.06460768587694 4783540 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC 1 3.647 2 4 -8.13092023926181 4783513 CC1=C(OC2=C1C=CC=C2Cl)C(=O)NCC3=CC=CO3 1 3.549 1 3 3.33098956771071 4783507 COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)OC 1 3.604 4 2 1.81750973654272 4783503 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 1.997 2 5 0 -10.4360182768067 4783502 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 1.801 3 5 0 -9.19120625249533 4783491 CC1=C(NC(=C1C(=O)OC)C)C(=O)CN2C(=O)C3(CCOC4=CC=CC=C43)NC2=O 1 1.72 3 6 0 -10.2545194984365 4783488 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Cl 1 2.152 3 5 0 -11.5607281241903 4783421 C1=CC(=C(N=C1)[N+](=O)[O-])OCC(=O)NCC2=CC=C(C=C2)F 1 1.945 3 4 0 -10.3358603939881 4783453 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC(C)C2=CC=CC=C2 1 2.818 1 5 -21.7349652695179 4783446 C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC=C3OC(F)F 1 3.644 3 6 0 -10.0051093602104 4783432 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C 1 2.582 5 3 0 -33.6860426142448 4783366 C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=CC=C(O3)Br 1 3.307 1 4 -10.9294982447492 4783365 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3CCCC4=CC=CC=C34 1 4.574 3 1 -8.11594293899231 4783361 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)CSC3=CC=C(C=C3)Cl 1 3.638 2 3 -4.54626407887847 4783314 CC(C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O 1 1.948 3 5 0 -11.8494099644916 4783309 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CNC(=O)C4=CC=CC=C4F 1 3.662 3 2 -17.4726612670075 4783299 CC1CCCN(C1)C(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 2.274 3 2 -8.70916327534233 4783267 CC1=NC2=C(C=CC=C2OCC(=O)N(C)CC(=O)NC3=CC=C(C=C3)F)C=C1 1 2.39 3 3 -13.0090313600095 4783228 CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.766 1 3 -16.8323239170035 4783221 COC1=CC=CC=C1OCCC(=O)NNC(=O)C2=CC=CC=C2F 1 2.144 2 4 -15.6375803096296 4783211 CC(C)CC(C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O 1 3.18 3 5 0 -14.5632411962423 4783201 C1=CC=C(C=C1)CNC(=O)COC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.306 3 4 0 -15.2224645048257 4783172 COC(CNC1=C2C=C(SC2=NC=N1)C3=CC=CC=C3)OC 1 3.207 3 2 -2.73039083465817 4783159 C=COCCCNC1=C2C=C(SC2=NC=N1)C3=CC=CC=C3 1 3.471 3 1 -0.778764926826429 4783142 CC1=CC=C(C=C1)S(=O)(=O)NCCN2CCN(CC2)C3=CC=C(C=C3)OC 1 2.979 3 3 -1.45105538602156 4783119 CCOC1=CC=C(C=C1)CN(C)C(C)C(=O)NCC2=CC=CC=C2 1 3.363 2 2 -7.44542027902282 4783062 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 4.198 2 3 9.16132758372873 4782981 CCN(CC(=O)NCC1=CC=CS1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.505 2 2 -18.5074085616841 4782979 COC1=C(C=C(C=C1)NC(=O)CNC(=O)CC2=CC=CC=C2)OC 1 1.676 2 4 0 -16.8522080955194 4782978 C1CCCC(CC1)NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 2.783 2 4 -14.9054212276792 4782977 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)CNC(=O)C2=CC=CO2 1 0.856 2 6 0 -21.8641795013412 4782939 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=CC4=C(CCC4)C=C3)C 1 3.255 3 3 -9.79212445218045 4782931 C1=CC=C2C(=C1)C(=CN2)CCC(=O)NCCC3=CC=C(C=C3)Cl 1 4.391 2 1 -12.1663570778792 4782913 COC1=CC(=C(C=C1)OC)NC(=O)CNC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.583 2 3 -9.48276857038994 4782896 COC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=O)C3CCCCC3C2=O)OC 1 1.19 2 7 0 -16.5553781230145 4782893 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCC(=O)C3=CC=C(C=C3)F 1 2.047 1 5 -11.3025978002068 4782886 CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC=C(C=C2)Cl 1 4.082 1 3 -8.37357724742631 4782871 CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC3=C(CCC3)C=C2)C 1 3.703 2 2 -14.3595475108583 4782861 C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)CNC(=O)C3=CC=C(C=C3)Cl 1 2.09 2 5 0 -12.0409598447885 4782855 CC1=CN=C(S1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.856 3 4 0 -1.03436430637644 4782850 CC1=CC(=C(C=C1)OC)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.38 2 5 0 -25.1290999464513 4782848 CC1=C(C=CC(=C1)C(=O)NC2CCCC3=CC=CC=C23)[N+](=O)[O-] 1 4.017 2 3 -10.2072047928279 4782846 COC1=CC(=CC(=C1OC)OC)CC(=O)NC2CCCC3=CC=CC=C23 1 3.623 1 4 -11.154871175124 4782820 C1=CC=C(C=C1)CC2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O 1 4.586 1 4 -7.24895120777295 4782818 C1CCN(C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.295 3 3 0 -18.1443640705042 4782796 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)Cl 1 3.224 2 3 -0.884519725167417 4782774 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=CN=C2)Br 1 2.713 2 3 -8.08737930065782 4782762 C1CCCN(CC1)C(=O)CNC(=O)COC2=CC=CC=C2 1 1.512 2 3 0 -13.0314201673106 4782761 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=CC=C4 1 2.667 3 3 -13.4729450995927 4782750 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=C(C=C2)F)F)C3CC3 1 1.36 3 3 0 -6.94153301264772 4782745 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)N)C 1 3.071 4 2 -2.96074760149015 4782733 C1CN(CCN1C(=O)C(CC2=CC=CC=C2)NC(=O)N)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.718 4 4 0 -21.5602659045413 4782709 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C3=CC=CC=N3 1 2.22 4 2 -6.11949273904644 4782702 CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1C3=CC=CC=N3 1 3.307 3 2 -4.17118212980134 4782700 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=CC=N3)C 1 2.569 4 2 -8.80475724262921 4782682 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3OC2=O 1 2.901 1 6 0 -8.64103855280172 4782656 CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 1.785 4 3 0 -13.405342908992 4782638 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=NC=C3 1 1.429 3 3 0 -6.66688773842319 4782631 CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=CC=C(C=C3)OC(F)F)Cl 1 5.473 1 3 3.6263270492886 4782586 C1=CC=C(C=C1)SCCCC(=O)NC2=CC=CC(=C2)CO 1 2.973 1 2 -7.36893936792362 4782568 CC1=NC2=C(C=C(C=C2)OC)C(=C1)N3CCN(CC3)C4=CC=C(C=C4)OC 1 4.057 3 2 7.41171050261237 4782515 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C2=CN3C=CC=CC3=N2 1 1.697 4 3 0 -12.8596002161402 4782502 COC1=CC=CC=C1S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.301 2 5 0 -16.7334621775548 4782463 CC(C1=CC=CC=C1)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.634 3 1 -1.46842117047035 4782453 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CCC3=CC(=C(C=C3C2)OC)OC 1 2.2 3 4 0 -12.7899151622323 4782444 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NCC2=CC=CC=N2 1 2.146 3 2 -12.7864562362991 4782434 CC1=CC=C(O1)CN(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 2.848 2 4 -10.5571413860065 4782429 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)C 1 3.214 3 3 -19.6470815930517 4782421 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C4=CC=C(C=C4)OC(F)F 1 1.423 4 6 0 -6.99621039392709 4782419 C1CC(CN(C1)C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)N 1 0.804 3 3 0 -10.0130361598693 4782414 CC(C1=CC=C(C=C1)F)OC(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC 1 2.772 1 6 0 -14.852310431174 4782409 CS(=O)(=O)C1=CC(=C(C=C1)NCC2CCCO2)[N+](=O)[O-] 1 1.417 2 5 0 -13.245582536929 4782395 C1CCC(CC1)(C#N)NC(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-] 1 2.631 3 4 0 -8.57151816701511 4782331 CC1CC(CN(C1)C(=O)C(C)N(C)CC(=O)NC2=C(C=CC(=C2)C)C)C 1 3.234 3 2 -12.9870155521545 4782338 C=CCN(CC=C)CC1=CC(=O)N2C(=CSC2=N1)C3=CC=CC=C3 1 3.167 3 1 -11.7743172845859 4782345 CN(CC1=CC(=CC=C1)OC)S(=O)(=O)C2=CC=CS2 1 2.3 1 3 -3.93980216966581 4782304 CC1=CC=C(S1)C(=O)NC2=NC(=CS2)C3=CC=CC=N3 1 2.935 3 1 1.86139373710215 4782290 CC(C1=CC=CC=C1)NC2C3=CC=CC=C3C4=CC=CC=C24 1 4.629 1 0 -0.629989593515557 4782246 CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)N(C)C 1 3.727 2 5 0 -6.40488865094138e-002 4782221 C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)NCCCN3C=CN=C3)[N+](=O)[O-] 1 2.741 4 3 0 -4.66707810978198 4782211 CC(=O)NC(CC(=O)OCC(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)C3=CC=CC=C3 1 1.385 3 5 0 -19.6327738095112 4782123 CC(=O)NC(CC(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3 1 1.345 2 6 0 -16.1478471768092 4782118 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 3.079 3 4 0 -21.9280351974904 4782073 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCC(=O)C3=CC(=CC=C3)Cl 1 2.144 2 5 0 -7.94011975329957 4781997 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C 1 1.401 4 3 0 -3.68281591055232 4782001 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)C 1 2.275 2 5 0 -15.2251887117732 4782002 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N 1 2.414 3 4 0 -14.1362453306472 4782003 CC1=C(C=C(C=C1)NC(=O)COC2=C(N=C(C=C2)C)[N+](=O)[O-])F 1 2.707 3 4 0 -6.27453868027845 4782009 CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 3.452 2 5 0 -25.455261248201 4782032 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(ON=C3C)C)C 1 3.198 2 5 0 -18.2084400301952 4782030 CN(C)C(=O)CN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 0.867 2 3 0 -2.29699091074902 4782024 CC(C)(C)C1=NN=C2N(C1=O)N=C(S2)SCC(=O)NCC3=CC=CO3 1 3.17 5 3 0 -17.9388326490575 4781962 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC=CC=C2C(F)(F)F)N 1 2.289 4 3 0 -8.98233080354986 4781953 CC1=C(C=CC(=C1)F)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.602 2 4 -24.449316307024 4781948 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCC3=CC=C(C=C3)OC 1 3.455 2 5 0 -23.2414175662417 4781867 C1CN(CCN1C(=O)CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N 1 2.198 3 3 -20.2713485166426 4781803 CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CCNC(=O)C2=CC=CO2 1 2.701 2 4 -11.6724222757062 4781776 CC(C1=CC=C(C=C1)F)NC(=O)COC2=C(N=CC=C2)[N+](=O)[O-] 1 2.322 3 4 0 -9.4863157590392 4781773 CC(=O)C1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.432 2 5 0 -19.7089808387934 4781740 CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.786 2 3 -3.16821692885002 4781733 CC1CC2=CC=CC=C2N1C(=O)C(C)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F 1 2.888 3 3 -24.4898641550063 4781715 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NN=C(N2C3=CC=CC=C3)C4CC4 1 3.319 5 2 0 -13.200356224573 4781709 CC1=NC2=C(C=C(C=C2)OC)C(=C1)N3CCN(CC3)C4=CC=CC=C4 1 4.074 3 1 7.77903412679242 4781703 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=C(N=CC=C2)SC)C)C 1 2.46 2 5 0 -15.4171791007259 4781675 COCCN(CCOC)C(=O)CN1C(=O)C2(CCCC3=C2C=CS3)NC1=O 1 0.25 3 5 0 -13.8046765892995 4781670 CC1=CC(=CC=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 3.157 2 2 -9.82214395991062 4781656 COC1=CC=CC=C1OCCC(=O)NNC(=O)C2=CC(=CC(=C2)OC)OC 1 1.905 2 6 0 -15.5083390239101 4781646 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)CCC2=CC=CC=C2 1 3.035 2 2 -10.5427301069694 4781635 CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NC2CCCC3=CC=CC=C23 1 3.17 1 3 -11.4088500810082 4781543 CC1=C(C=C(C=C1)NC(=O)CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N(C)C 1 3.581 2 3 -10.0101222204298 4781538 CC1CCC(CC1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C 1 2.645 2 3 -16.2302550144588 4781518 C1=CC=C2C(=C1)C(=CN2)CC(=O)OCC(=O)NC3=CC=CC=C3SCC#N 1 2.922 3 3 -18.0454144402895 4781511 C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC=CNC4=O 1 1.026 2 4 0 -14.8589518356849 4781507 CC(C)N(C(C)C)S(=O)(=O)C1=CN=C(C=C1)N2CCC3=CC=CC=C3C2 1 2.988 3 2 -4.25917931229007 4781474 CC1=C(NC(=C1C(=O)C)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C 1 3.111 3 4 0 -19.5895363055655 4781445 COC1=C(C=C2CN(CCC2=C1)C3=NC=C(C=C3)C(F)(F)F)OC 1 3.328 2 2 0.594131142473235 4781414 CN(CC1=CC=C(C=C1)OC)C(=O)CC2=CNC3=CC=CC=C32 1 3.139 2 2 -5.4426539630593 4781380 CN(CC1=CC(=CC=C1)Cl)CC(=O)NCC2=CC=C(C=C2)F 1 3.416 2 1 -4.29044763050495 4781379 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)CC(=O)N2CCCCCC2 1 2.537 3 2 -10.5092273396491 4781377 C1CC(=O)N(C1)CCCNC(=O)C2=CC3=CC=CC=C3O2 1 1.349 2 3 0 -16.2782169101064 4781374 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2SCC#N)C3=CC4=C(C=C3)OCCO4 1 1.77 4 5 0 -18.9405488839382 4781335 CC1=CC(=C(C=C1)C)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC4=C(C=C3)OCCO4 1 2.47 3 5 0 -11.8034747506935 4781320 COC1=CC=CC=C1CNC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.228 2 4 -10.2080798067454 4781285 CC(C)(C)C1=CC=C(C=C1)C(=O)CCC(=O)NCC2=CC=CC=C2 1 3.977 1 2 -8.87047301572656 4781253 C1CCCC(CC1)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2F 1 2.569 2 3 -16.4263464214565 4781252 COC1=CC=CC=C1CNC(=O)C2=C(C=CS2)C3=CC=CC=C3 1 4.076 1 2 -7.77314840523338 4781244 COC1=C(C(=CC(=C1)C(=O)NCCCN2CCCC2=O)Br)OCC3=CC=CC=C3 1 3.053 2 4 -22.6846168436002 4781243 C1CC(=O)N(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C(=CC=C3)Cl)Cl 1 1.672 3 4 0 -30.3990972360929 4781237 CC(C(=O)OCC(=O)NC1=C(C=CS1)C(=O)N)OC2=CC=CC=C2 1 1.43 2 5 0 -14.6136447330239 4781213 CC1CCC2=C(C1)SC=C2C(=O)OCC3=C(ON=C3C)C 1 3.448 1 3 -14.4606185364241 4781212 CN(CC1=CC=CS1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.156 2 3 -18.9562802717738 4781211 C1=CC=C2C(=C1)C(=CN2)CCC(=O)NCC3=CC=NC=C3 1 2.255 3 1 -15.1039137311078 4781208 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3F 1 3.52 2 3 -15.3319778291897 4781187 CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)COC2=C(N=CC=C2)[N+](=O)[O-] 1 3.446 3 4 0 -8.44109335518669 4781158 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC(=NC3=C2C(=C(S3)C)C)C 1 1.902 3 3 0 -24.2857368940424 4781157 CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)NC3CCS(=O)(=O)C3)C 1 1.347 3 3 0 -23.0142089163586 4781133 CN(CC(=O)NC1=CC=CC=C1Br)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.96 3 2 -12.5688666810121 4781132 CN(CC1=CC=C(C=C1)SC)CC(=O)NCC2=CC=C(C=C2)OC 1 3.072 2 2 -6.01010591796631 4781088 CC(CCC1=CC=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C2C(C)NC(=O)C 1 3.154 4 2 -14.7150927935579 4781085 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 3.043 2 5 0 -15.3723202686453 4781084 CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SC3CCOC3=O 1 3.175 2 3 -16.5101594092742 4781083 C1CS(=O)(=O)CC1NC(=O)CSC2=NC3=NC=C(C=C3N2)Cl 1 0.705 4 3 0 -16.8096572395149 4781080 C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-] 1 3.599 5 4 0 -5.95025357473796 4781076 COCCNC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br 1 2.651 3 4 0 -12.9398069153596 4781073 CCOC1=CC=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3 1 2.968 2 4 -14.7731916881439 4781069 COC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.637 2 5 0 -8.98269569300055 4781064 C1CC(C2=CC=CC=C2C1)NC(=O)CN3CCNC(=O)C3 1 0.857 3 2 0 -18.9962369497735 4781050 CN(C)C(CNC1=C2C3=C(CCCCC3)SC2=NC=N1)C4=CC=CO4 1 4.338 4 1 -7.23021207555331 4781049 COCCN1C(=O)C2=CC=CC=C2N=C1SC3CCOC3=O 1 1.829 2 4 0 -10.8922878897826 4781045 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN=C4N3C=CC=C4 1 2.594 4 3 0 -18.0162426229782 4781044 CC(COC)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-] 1 1.357 3 5 0 -19.5665550226374 4781042 CN(C)C(CNC1=C2C3=C(CCCC3)SC2=NC=N1)C4=CC=CO4 1 3.882 4 1 -6.87574356138523 4781030 CC1=CSC(=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.866 3 3 0 -27.2130004420379 4781023 C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=CC=NC=C4 1 2.36 6 2 0 -15.7114795140894 4781021 C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CN=C(C=C3)[N+](=O)[O-] 1 3.568 4 2 5.13295465680256 4781006 CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3O2)COC)C 1 4.045 1 7 0 -5.50552553970709 4781000 C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CN4C=NC5=CC=CC=C5C4=O 1 2.198 3 4 0 -12.5314657054587 4780990 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC3=C(N=C(C=C3)C)[N+](=O)[O-] 1 2.535 4 6 0 -22.8825337463593 4780982 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 1.848 3 5 0 -13.7904311032407 4780980 COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 2.839 2 6 0 -10.5848039950582 4780965 CCC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC 1 3.352 3 6 0 -7.53293645455266 4780962 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC(C4=CC=CC=C4OC)N(C)C 1 3.918 3 4 0 -18.5714283728489 4780915 CC(C1=CC=C(C=C1)F)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.954 2 5 0 -6.57191143756928 4780911 CCCN1C(=O)NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.703 5 4 0 -29.5662467345938 4780903 CCN(CC(=O)NCC1=CC=C(C=C1)F)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-] 1 2.61 3 5 0 -17.6661756887722 4780886 COC1=C(C=C(C=C1)NC(=O)CC2=CC(=CC=C2)F)S(=O)(=O)NC3=CC=CC=C3Cl 1 3.99 2 4 -7.03634061275795 4780881 CN1C=CN=C1SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 1.479 4 3 0 -6.14070767283955 4780876 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SCCO)[N+](=O)[O-] 1 1.304 2 5 0 -16.6737314355894 4780865 CC1=CC=C(C=C1)C(=O)NC(C)C2=CC=C(C=C2)F 1 3.69 1 1 -6.68903936962018 4780861 CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3CC3)[N+](=O)[O-] 1 1.329 4 5 0 -9.30228378527655 4780845 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CC3=COC4=CC5=C(CCC5)C=C43 1 3.976 1 6 0 -13.5725627780816 4780830 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CN1C(=O)C2=C(N=C1SCC(=O)NCC3CCCO3)SC=C2C4=CC=CC=C4 1 2.96 3 3 -20.4208156560019 4780710 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N3CCC#N 1 3.099 5 2 0 -13.4789304934952 4780707 CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC(C)C 1 3.059 1 3 -17.4365226271835 4780687 CC(C)(CNC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2CCOCC2 1 2.606 3 3 -5.91613234527402 4780685 C1COCCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-] 1 1.332 3 3 0 -2.43132929351425 4780678 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 2.807 3 7 0 -17.4864608898838 4780671 CCC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=CC=C3)SC4CCOC4=O 1 4.142 2 3 -10.9350107220701 4780664 CCC1=C(SC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C)C 1 3.259 2 3 -12.4778538258257 4780661 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CCSC2=CC=C(C=C2)Cl 1 3.037 2 3 -10.0255860562429 4780659 CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC(=C(C=C3C)[N+](=O)[O-])OC 1 4.655 6 4 0 -26.129700981499 4780638 CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-] 1 0.629 3 5 0 -9.64928621024168 4780636 CS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=CC=N2)[N+](=O)[O-] 1 1.955 3 4 0 -10.4478907631141 4780629 CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-] 1 2.43 4 4 0 -4.57783894788275 4780613 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 2.479 3 4 0 -14.4073273727289 4780596 C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCCCN4C=CN=C4 1 1.537 6 0 0 7.19914873902247 4780591 CCC(C)NC(=O)COC(=O)C1=C(N=CC=C1)NC2=CC=CC=C2F 1 3.139 3 3 -16.6258414837528 4780589 CCN(C(=O)C1=CC2=CC=CC=C2O1)C34CC5CC(C3)CC(C5)C4 1 4.33 1 2 2.34401446932919 4780574 CC1=CC(=O)N(C(=O)N1)CC2=C(C=CC(=C2)C(=O)C)OC 1 1.014 2 4 0 -11.4226282308417 4780551 CC1=NC(=C(C=C1)OCCOC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] 1 4.34 2 4 -0.76616320161954 4780520 C1CC(OC1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N 1 1.77 3 3 0 -8.03868284246946 4780518 CC(C1=CC=CC=C1)NC(=O)COC2=NC=NC3=C2C=CC(=C3)[N+](=O)[O-] 1 2.826 4 4 0 -8.41815546105371 4780510 C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Cl 1 3.568 4 2 2.34201651723976 4780504 CC(C1=CC=CC=C1OC)NC(=O)CC2=CSC=C2 1 2.679 1 2 -14.3218907493023 4780494 C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)OC4=C(N=CC=C4)[N+](=O)[O-] 1 3.239 5 3 0 3.82139589992499 4780484 C1C(=O)N(C(=O)S1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4 1 2.131 4 5 0 -32.5387683136049 4780468 CCOC1=C(C=C(C=C1)CN(C)C(=O)C2=CC3=CC=CC=C3O2)OC 1 3.738 1 4 -3.60600260300749 4780450 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CC2=CC=C(C=C2)OC 1 2.918 2 3 -14.9996120079509 4780446 CN(CC1=CC=CC=C1Cl)C(=O)C2=CC3=CC=CC=C3O2 1 4.086 1 2 3.14785807660533 4780442 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 -5.1e-002 2 5 0 -21.1889906142603 4780433 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CCCSC2=CC=CC=C2 1 2.694 2 3 -14.1470984704189 4780428 COC1=NC=C(C=C1)NC(=O)C2=CC=CO2 1 1.382 2 3 0 -5.84011690066625 4780410 COC1=C(C=C(C=C1)CNC(=O)CC2=CNC3=CC=CC=C32)OC 1 2.917 2 3 -15.0907790670256 4780409 CC1=CC=C(O1)CN(C)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 2.939 2 3 -10.2675459183479 4780405 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)COC3=CC4=C(CCC4)C=C3 1 4.629 2 2 -10.4743035744599 4780403 CCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CCC2=CC=CC=C2 1 2.703 2 3 -19.4202479348089 4780390 CCC(C(=O)OCC(=O)NC1=C(C=CS1)C(=O)N)OC2=CC=CC=C2 1 1.953 2 5 0 -13.6284496778177 4780388 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C 1 3.074 3 6 0 -13.8093091177886 4780386 C1=CC=C(C=C1)CCCNC(=O)CCNS(=O)(=O)C2=CC=CC=C2C(F)(F)F 1 3.352 2 3 -17.8465393986921 4780369 CC1=NC(=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)[N+](=O)[O-] 1 3.522 5 3 0 2.59377111951787 4780368 C1=CC=NC(=C1)CCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N 1 2.308 4 2 -5.24099106865453 4780365 C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=C3F 1 2.723 4 3 0 -2.87115828611207 4780362 C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCCCN2C=CN=C2 1 1.216 5 2 0 -1.90284325083615 4780338 CC1=NC(=C(C=C1)OCC(=O)NCC(=O)NC2=C(C(=C(C=C2)F)F)F)[N+](=O)[O-] 1 1.691 4 5 0 -14.0497236860831 4780335 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OC(C(C)C)C(=O)NC(=O)N 1 3.06 2 6 0 0.263009315585868 4780329 CSCCC(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)C3=CC=CO3 1 2.018 2 8 0 -18.3854180872469 4780318 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC(=CC=C3)OC)[N+](=O)[O-] 1 3.314 4 5 0 -8.38814519938813 4780315 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C4C=CSC4=NC=N3 1 1.849 4 4 0 -20.3957472038915 4780311 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)COC2=C(N=CC=C2)[N+](=O)[O-] 1 1.94 4 5 0 -13.974151152858 4780308 C1CCN(C1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-] 1 2.105 3 2 -0.487774656633398 4780304 COC1=CC=CC=C1N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-] 1 2.888 4 3 0 -0.5598363081755 4780303 CC1CN(CC(O1)C)C2=CN=C(C=C2)[N+](=O)[O-] 1 1.717 3 3 0 -6.6546926159355 4780302 COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)N3CCCCC3 1 3.576 2 2 -9.62018208850459 4780300 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CN3C4=CC=CC=C4N=C3C(F)(F)F 1 4.302 3 3 -4.76795637602999 4780294 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2=CNC(=O)C=C2 1 0.542 3 4 0 -18.5094892328398 4780290 CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 3.504 2 3 -4.63506968663574 4780288 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC(C2=CC=CC=C2OC)N3CCCC3 1 2.688 3 4 0 -20.0280023663236 4780286 C1COCCN1C(CNC(=O)COC2=CC=CC=C2F)C3=CC=C(C=C3)F 1 2.723 2 3 -15.5580587944853 4780256 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NOC(=C3)C)C 1 1.828 3 4 0 -23.0893801213752 4780252 CC1=NC=C(N=C1)C(=O)N(C)CC2=CC=CC=C2OC 1 1.221 3 2 0 -12.4533238778831 4780239 COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl 1 2.967 2 4 -18.0746770947293 4780237 CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)OC)N3CCCC3)S(=O)(=O)N4CCCCC4 1 3.754 3 4 0 -27.0965235517627 4780236 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCC4 1 3.682 3 4 0 -21.9349789308898 4780234 C1CCN(C1)C(=O)CNC(=O)COC2=CC=CC=C2 1 0.6 2 3 0 -12.6769516531425 4780228 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)N(CC3=CC=CO3)CC4=CC=CS4)Cl 1 2.801 2 5 0 -23.7934169021919 4780224 CC(C)(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)N3CCOCC3 1 2.058 2 3 -7.54691294569658 4780147 CNS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-] 1 1.258 3 4 0 -8.07385982784115 4780146 CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C#N)C)C 1 4.77 2 0 0.248695031812662 4780145 COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 4.164 3 3 2.24586345548777 4780144 CC1=CC(=C(C=C1NC(=O)CSC2=NN=CN2CCOC)OC)[N+](=O)[O-] 1 1.353 5 5 0 -23.4149232123031 4780137 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-] 1 2.792 3 6 0 -18.7822471232921 4780127 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=N3 1 3.568 4 2 4.05178959365733 4780123 C1CC(CN(C1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(F)(F)F 1 3.032 3 2 -1.44838182867949 4780122 CCCN1C(=O)C2=CC=CC=C2N=C1SC(C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OC 1 5.447 3 3 -18.0160813837086 4780114 CC1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C 1 3.193 2 4 -9.53014676597213 4780111 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC3=C(C=CC(=C3)F)[N+](=O)[O-] 1 2.612 3 6 0 -23.7284716415913 4780110 CC1CC(CN(C1)C2=CN=C(C=C2)[N+](=O)[O-])C 1 2.83 3 2 -5.46168854600119 4780107 CN1C=CN=C1SCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 1.742 4 3 0 -10.5394613281147 4780106 CN1C=CN=C1SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 1.52 4 4 0 -10.9735320846497 4780091 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCCN2CCOCC2 1 0.896 3 4 0 -11.2235795712206 4780076 CN1C=CC=C1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 1.029 3 5 0 -16.5456026353277 4780069 CC1CCCC(N1C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C 1 3.31 2 4 -8.55058529877337 4780067 C1CC(OC1)CNC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 1.79 2 5 0 -14.2231806769169 4779999 CC1=CC(=CC(=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C 1 3.894 2 2 -15.8645584037754 4780009 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCC(=O)NC3=CC(=CC=C3)Br 1 3.461 6 1 0 -8.06836367380297 4780012 CC1=NN(C(=C1C(=O)OC(C(C)C)C(=O)NC(=O)N)Cl)CC2=CC=CC=C2Cl 1 3.285 4 4 0 -11.364396008176 4780014 C1CC1C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4 1 3 5 2 0 -15.5189826033464 4780045 COCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-] 1 0.98 3 5 0 -19.1074581260353 4780025 CCC(C)NCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N(CC)C2=CC=CC=C2)Cl 1 3.377 3 3 -16.5734354315325 4780022 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-] 1 2.301 3 5 0 -12.3402542395578 4779994 CC1=CC(=C(C=C1)C)CSCC(=O)NCC2=CC=CS2 1 3.734 1 1 -14.3369119099208 4779986 C1CC2=C(C1)C=C3C(=C2)C(=CO3)CC(=O)OCC(=O)N4CCCC4=O 1 2.386 1 5 -14.2685954223061 4779966 C1CN(CCN1C(=O)C2=CC=CS2)S(=O)(=O)C3=CC=CS3 1 1.568 2 3 0 -20.7705460525643 4779957 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.479 3 5 0 -10.895914459147 4779956 CN1C=NN=C1SCC(=O)NNC(=O)COC2=CC=C(C=C2)Br 1 0.96 5 3 0 -19.7838909638352 4779945 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 2.568 2 5 0 -25.7619260645873 4779934 CC(=O)NC1=CC=C(C=C1)NC(=O)CNC(=O)COC2=CC=CC=C2 1 0.63 3 4 0 -14.0755393224588 4779933 CCOC1=CC=CC=C1C(=O)NCC(=O)NC2=CC3=C(C=C2)OCO3 1 1.774 2 5 0 -16.3100303613777 4779931 C1CN(CCC1NC(=O)COC2=C(C=C(C=C2)Br)F)CC3=CC=CC=C3 1 3.521 2 2 -1.65981297775017 4779930 C1=CC=C(C=C1)CCCNC(=O)CNS(=O)(=O)C2=CC=CC(=C2)C#N 1 2.04 3 3 -18.21484164639 4779929 COC1=C(C=C(C=C1)CNC(=O)CCSC2=CC=C(C=C2)F)OC 1 3.436 1 3 -13.6944529135752 4779927 CC1=CC(=C(C=C1Cl)OC)NC(=O)CN2C3=CC=CC=C3N=C2NCCO 1 2.66 4 3 0 -8.83912413312269 4779922 CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NN=NN3C 1 1.961 9 0 0 -14.5119526360271 4779888 CC1CN(CC(O1)C)C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3 1 8.e-003 3 4 0 -18.1403319012169 4779876 CC(C(=O)N)SC1=NC=C(N1CC=C)C2=CC=C(C=C2)Cl 1 3.435 3 1 -3.514697113921 4779873 C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=CC=CC=C3Cl)CO 1 2.441 3 2 -3.35190345605273 4779861 CC(C1=CC=C(C=C1)F)NC(=O)CN2CCN(CC2)C3=NC=CC=N3 1 1.298 5 1 0 -3.76904765012521 4779856 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCCOC)C 1 1.383 1 4 0 -15.7098959366346 4779845 CC1=C(C(C(=C(N1)SCC2=CC=C(C=C2)C#N)C#N)C3=CC=CO3)C(=O)C 1 3.126 3 2 -29.1357665661652 4779836 CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NC(=CS2)C3=CC=CC=C3 1 3.339 2 3 -18.0368448113086 4779815 CCCCNC1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(C=C3)OCCO4 1 3.18 4 3 0 -13.3158096273398 4779802 CC1=CC(=C(N1C)C)C2=NN=C(SC2)NC3=CC=CC=C3 1 3.314 4 0 -3.33111790704821 4779778 C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N(CC3=CC=CC=C3)C4CCS(=O)(=O)C4 1 3.378 1 5 -20.6126814152813 4779773 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=CN3N)C4=CC=CC=C4 1 2.66 4 3 0 -9.08667879806062 4779764 CC(C)OC1=C(C=C(C=C1Cl)C(=O)NCC(C2=CC=CS2)N(C)C)OC 1 3.993 2 3 -7.82417321582968 4779762 CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-] 1 2.758 3 5 0 -19.9829619639951 4779740 C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] 1 1.834 3 8 0 -16.4252799680638 4779735 CCOC1=C(C=CC=N1)C(=O)OCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2 1 1.371 2 6 0 -24.2589793086939 4779725 COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCC4 1 2.767 4 4 0 -17.4599830819455 4779719 CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C4N2N=CC4)C 1 3.816 4 1 -17.8178539618475 4779718 CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C4N2N=CC4 1 3.572 4 3 0 -19.4539122599249 4779716 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C4N2N=CC4 1 2.699 4 3 0 -18.1406896302405 4779700 CC1=NN=C(N1C)SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CO4 1 2.454 5 3 0 -18.5149163597385 4779693 COCCCNC(=O)COC1=CC2=C(C=C1)OC3=C2CCCC3 1 2.491 1 4 -14.0403891476986 4779690 C1CC(OC1)CNC(=O)C2=NC3=CC=CC=C3C=C2 1 2.011 2 2 -13.8716560586416 4779683 CC(=O)NC(CC(=O)NC1CCCC2=CC=CC=C12)C3=CC=CC=C3 1 2.893 2 2 -13.477796266414 4779664 CC1=CC(=C(C=C1)C)C(=O)NC(C)CCC2=CC=CC=C2 1 4.748 1 1 -7.65210257660897 4779658 CC(C(=O)NCC1=CC=CS1)NC(=O)C2=CC=CC=C2Cl 1 2.57 2 2 -15.8604017804819 4779653 CCNC(=O)NC(=O)C(C)OC(=O)CC1=COC2=CC3=C(CCC3)C=C21 1 2.753 2 5 0 -12.2868130120809 4779650 C1=CC=C(C=C1)C2=CN(C(=N2)SCC(=O)NCC(F)(F)F)N 1 2.322 4 1 -12.1309755016515 4779649 CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CN(CC2=CC=CC=C2)CC3=CC=CC=C3 1 4.504 3 3 -5.89996465174301 4779644 CCN(CC(=O)NCC1=CC=CS1)C2=NC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.07 4 3 0 -26.8090780878496 4779633 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC=CS3 1 3.13 2 5 0 -12.8024204621775 4779630 C1=CC=C(C=C1)C(CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)O 1 2.805 4 1 5.52902605819129 4779625 C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5 1 4.188 4 2 -20.4698937090272 4779623 COC1=C(C=CC(=C1)C#N)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.89 3 5 0 -23.9905815929353 4779618 C1C=NN2C1C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)F)Cl 1 3.714 4 1 -14.1856965018568 4779614 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-] 1 2.479 3 4 0 -9.38627141315211 4779612 C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CS5 1 2.54 2 3 -17.2777839493793 4779562 CC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl 1 1.812 2 5 0 -18.7509803342519 4779542 CC1=CC=CC=C1NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC4=C(C=C3)OCO4 1 1.966 3 5 0 -11.0043867852007 4779539 CC1CC1C(=O)NC2=C(C=C(C=C2)C)Cl 1 3.11 1 1 -0.360378501278397 4779536 CC(C1=CC=C(C=C1)F)NC(=O)CN2C(=O)C(NC2=O)(C)C3CC3 1 1.539 3 3 0 -9.40912740697248 4779535 CC1CC2=CC=CC=C2N1CC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F 1 3.901 3 1 -2.06875043080701 4779530 CSCCC(C(=O)NCC1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2Br 1 3.446 2 2 -18.3691809136382 4779520 CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC=C(C=C3)F 1 4.415 1 1 -8.59717574914503 4779513 C1CC1NC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] 1 2.575 3 5 0 -11.3945564897517 4779511 C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] 1 3.819 3 5 0 -11.5259870943316 4779498 CC(C1=CC=C(C=C1)F)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.899 4 0 6.36281036619463 4778847 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 3.267 5 5 0 -18.7358974986927 4778739 CCC1=C(C=C2C3=C(C(=O)C=C(N3)O)SC2=N1)C 1 3.29 2 2 -7.42147703781496 4778549 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3 1 2.84 4 3 0 -22.8571648873404 4778307 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.817 5 5 0 -19.6042455154875 4778284 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 4.946 3 3 -17.5624640667115 4778258 C=CCN(CC=C)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2CC2 1 3.21 3 3 -21.0200926956663 4778204 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Cl 1 3.504 4 3 0 -20.2395186292442 4778201 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OC 1 2.824 4 4 0 -23.4948530599673 4778199 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 3.326 4 3 0 -24.3635441850607 4778174 CC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)Br 1 2.758 3 4 0 -17.9213399383863 4777950 CCC(C)N1CC(CC1=O)C(=O)O 1 0.404 1 3 0 -8.52448345310269 4777943 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3 1 1.524 3 4 0 -18.6196947244742 4777942 CC(C)CN1CC(CC1=O)C(=O)O 1 0.346 1 3 0 -11.9608283315826 4777913 CN1C2=CC=CC=C2C(=C1C(=O)O)C=O 1 2.009 1 3 -1.61747182584463 4777895 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3C(=O)O 1 2.955 2 5 0 -10.4977076740076 4777842 CCOC1=CC2=C(C=C1)NC3=C2CNCC3 1 2.073 2 1 5.79336627154226e-002 4777789 CCCOC(=O)CC1C(=O)NCCN1CC2=CC=CC=C2C 1 2.231 2 3 -26.8828051771019 4777785 CCCOC(=O)CC1C(=O)NCCN1CC2=CC=C(C=C2)F 1 1.95 2 3 0 -24.6954051450079 4777589 CC1=CC(=CC(=C1)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C 1 2.477 4 4 0 -21.6273417191121 4777443 COCCNC(=O)C1=NOC(=C1)C2=CC=CS2 1 1.553 2 3 0 -12.6019769838069 4777412 CC1=C(C=NN1C(C)C(=O)N2CCN(CC2)C3=CC=CC=C3F)Br 1 2.958 4 1 -0.830737577262847 4777062 CC1=C(C=NN1C(C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)Br 1 2.958 4 1 -0.692071898311661 4776984 CN1C=CC(=N1)NC(=O)C2=CC(=CC(=C2)OC)OC 1 1.77 3 3 0 -7.81168619399142 4776833 COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C)OC 1 0.729 2 5 0 -15.2567965454026 4776696 CN1C2CCC1CC(C2)NC(=O)C3=CC(=CC(=C3)OC)OC 1 1.634 2 3 0 -7.6886775654884 4776640 CC1=CC=CC(=C1)C(=O)NC2=NN(C=C2)C 1 2.289 3 1 -4.85087486661791 4776419 CC1=CC=C(C=C1)CONC(=O)C2=C(C(=CC=C2)OC)OC 1 2.92 1 4 -2.48573078489688 4776266 CCN1C=C(C(=N1)C)C2=CC=NC3=CC(=NN23)C(=O)O 1 1.389 5 2 0 -9.31118822477318 4776220 C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC(=CC=C3)OC(C(F)F)(F)F 1 5.165 3 1 -0.26386920437182 4776201 CCN1C(=C(C=N1)C2=CC=NC3=CC(=NN23)C(=O)O)C 1 1.252 5 2 0 -9.42923525064109 4776030 CC1=CC=C(C=C1)CONC(=O)C2=CC=C(C=C2)C 1 3.439 1 2 -0.487703833428265 4775621 CN1C2CCC1CC(C2)NC(=O)C3=CC(=C(C=C3Cl)Cl)S(=O)(=O)N(C)C 1 2.113 3 3 -7.03365196740902 4775516 C1CC2CN(CCN2C1)C(=O)C3=C(C=CC(=C3)Br)OC(F)F 1 3.244 2 2 0.706108644443658 4775471 C1=CC(=CC=C1C2=CC=NC3=CC(=NN23)C(=O)O)F 1 2.313 3 2 -4.20350463853405 4775396 CC(C1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4NC3=S 1 3.871 2 3 -6.66653328778388 4775373 CC1=CN=C(S1)N2C(=O)C3=CC=CC=C3NC2=S 1 2.861 3 1 -4.86378587534967 4775364 CCN(CC)CCN1C2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=C(C=C3)C 1 3.903 4 2 -5.30721470923065 4775252 CC1=CC=C(C=C1)CONS(=O)(=O)C2=C(C=CC(=C2)C)C 1 3.629 1 3 -1.62922168130332 4775099 CC1=NN2C(=CC=NC2=C1Br)C3=CC=C(C=C3)OC 1 3.064 3 1 0.114345331402394 4774990 CCOC1=C(C=C(C=C1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)OCC 1 1.084 2 8 0 -19.1421323432481 4774630 COC1=CC=C(C=C1)C2=CC=NC3=CC(=NN23)C(=O)O 1 2.091 3 3 -5.32834787314344 4774543 CC1=C(C=NN1C)C2=CC=NC3=CC(=NN23)C(=O)O 1 0.903 5 2 0 -8.16553621181617 4774379 CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCN3C(=C(C(=N3)C(F)(F)F)Br)C4CC4)SC1)C(=O)O 1 2.191 4 6 0 -14.9974758835719 4774211 CCC(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O 1 2.458 4 4 0 -23.8382616420477 4774033 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CN(N=C3)C 1 0.64 6 1 0 -7.95733468744706 4774002 COC(=O)C1=NN(C=C1)CSC2=C(C=CC(=C2)Cl)Cl 1 4.265 2 2 -5.57429522578657 4773984 COC(=O)C1=NN(C=C1)CSC2=C(C(=CC(=C2F)F)F)F 1 3.758 2 2 -6.7854160981414 4773907 C1=CC(=C(C=C1Cl)SCN2C=CC(=N2)C(=O)O)Cl 1 4.039 2 2 -3.90154202183801 4773837 CC1=C(N2C(C(C2=O)NC(=O)C3=CC=CC=C3Cl)SC1)C(=O)O 1 1.795 2 4 0 -9.68728763114861 4773828 CC1=C(N2C(C(C2=O)NC(=O)C3=CC=C(C=C3)F)SC1)C(=O)O 1 1.336 2 4 0 -8.6048628941665 4773776 CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=CC=C(C=C3)F)SC1)C(=O)O 1 0.625 2 6 0 -12.26901858534 4773758 CC1=CC=C(C=C1)C2=CC(=NC3=C2C4=C(S3)C(=O)N=CN4)C(F)F 1 3.838 3 1 -1.52481401514858 4773757 CC1=C(C(=NN1CSC2=C(C(=C(C(=C2F)F)F)F)F)C)[N+](=O)[O-] 1 4.002 3 2 -1.1045474956363 4773735 CC1=CC(=NC=C1)NC(=O)C(C)N2C=C(C=N2)[N+](=O)[O-] 1 1.369 5 3 0 -5.63415828557789 4773613 C1=CC=C(C=C1)C2=CC(=NC3=C2C4=C(S3)C(=O)N=CN4)C(F)F 1 3.352 3 1 -1.99933043146378 4773590 CC1=C(N2C(C(C2=O)NC(=O)C3=C(C=CC=C3F)F)SC1)C(=O)O 1 1.542 2 4 0 -10.0824419023664 4773430 C1=C(C=NN1CSC2=C(C(=C(C(=C2F)F)F)F)F)Br 1 4.428 2 0 1.14153637714013 4773323 COC1=CC=C(C=C1)C2=CC=NC3=NC=NN23 1 2.171 4 1 -4.28436295461604 4773170 CCOC(=O)C1=NN(C=C1)CSC2=C(C(=CC(=C2F)F)F)F 1 4.107 2 2 -6.93354719268741 4773109 C1=C(C(=C(C(=C1F)F)SCN2C=C(C=N2)Br)F)F 1 4.223 2 0 1.32811946736576 4773049 C1=CC(=CC=C1CNC(=O)CN2C(=CC(=N2)C(F)F)C(F)F)S(=O)(=O)N 1 1.455 4 3 0 -19.9885860240891 4772089 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3)C 1 1.911 3 4 0 -22.281862978994 4770985 C1=CC=C(C=C1)CN2N=C(N=N2)C3=CC(=CC=C3)C(=O)O 1 2.718 4 2 -1.0183179206757 4770715 CC(C1CCCO1)NC(=O)C2=CC=NN2C 1 0.715 3 2 0 -17.4738734407402 4770610 CN1C=C(C2=CC=CC=C21)C3NC4=C(C5=C(S4)CCCC5)C(=O)N3 1 4.117 3 1 -6.39122757234931 4770341 CC1=CN(N=C1)C(=O)CN2C(=C(C(=N2)C(F)F)Br)C 1 2.691 4 1 -3.00267777068587 4770337 CC1=C(C(=NN1C)C)NC(=O)C2=CC=C(O2)Br 1 1.655 3 2 0 -4.3044870985702 4770316 C1=CC2=C3C(=C1)N(S(=O)(=O)C3=CC=C2)CC(=O)O 1 1.083 1 4 0 -3.41602406500729 4770296 CN1C(=CC=N1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 -6.4e-002 6 1 0 -7.34126689760449 4769678 CN1C(=C(C=N1)Cl)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 0.601 6 1 0 -2.98202058266444 4769217 CC(C1=C(C=CC(=C1)OC)OC)NS(=O)(=O)C2=CC=CS2 1 2.455 1 4 -11.0353451977758 4768760 CCC(C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=CS2 1 3.498 1 2 -8.73441553282895 4768672 C1CN(CCN1CC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CS3 1 2.479 2 2 -7.60443991579563 4767917 COCCCNC(=S)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC 1 3.93 2 3 -17.2448743955981 4767732 C1CC(OC1)CNC(=S)N2CCC3=CC=CC=C3C2 1 3.21 2 1 -17.2876652541277 4767435 C=CCSC1=NN=C(N1N)CCC2=CC=CC=C2 1 2.818 4 0 -11.8600798955569 4767279 CC1=C(N2C(C(C2=O)NC(=O)C3=NN(C(=C3Cl)C)C)SC1)C(=O)O 1 1.019 4 4 0 -8.26708356225713 4767016 CC(C1=C(C=CC(=C1)OC)OC)NC(=O)C(C)N2C=C(C=N2)[N+](=O)[O-] 1 1.846 4 5 0 -11.0625376642424 4766911 CC1=C(C=C(C=C1)OCC2=CC=C(C=C2)C(=O)NCC3CCCO3)C 1 3.936 1 3 -11.676588557944 4766250 C1CC1C2=CC(=NN2CC(=O)NC3=CC=CC=C3F)C(F)(F)F 1 3.595 3 1 -7.8801232172281 4766248 CC1=NN(C(=C1[N+](=O)[O-])C(=O)NNC(=S)NC2=CC=C(C=C2)OC)C 1 2.376 6 4 0 -7.16326045857191 4766223 C1C(=NN(C1(C(F)F)O)C(=O)CN2C=C(C=N2)[N+](=O)[O-])C(F)F 1 0.277 5 4 0 -9.76433772371345 4766221 CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)N3C(CC(=N3)C(F)F)(C(F)F)O)C)[N+](=O)[O-] 1 2.437 5 4 0 -6.96916837229848 4766211 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 2.332 5 4 0 -5.6908977354896 4766173 COC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NN3C=C(C=N3)[N+](=O)[O-] 1 2.758 4 5 0 -6.53550866577583 4766135 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CN2C(=CC(=N2)[N+](=O)[O-])C 1 0.856 5 4 0 -8.73744367637501 4766099 CC1=CC(=NN1CC(=O)N2C(CC(=N2)C(F)F)(C(F)F)O)[N+](=O)[O-] 1 0.961 5 4 0 -10.8067844727476 4766057 CC(C)CNC(=S)NNC(=O)C1=CC=CC=C1OC(F)F 1 3.417 3 2 -10.2708030615841 4766049 CC1=C(C(=NN1C(C)C(=O)NNC(=S)NC2=CC=C(C=C2)OC)C)[N+](=O)[O-] 1 2.566 6 4 0 -7.7395211323617 4766021 CC1=C(N2C(C(C2=O)NC(=O)C3=NN(C=C3[N+](=O)[O-])C)SC1)C(=O)O 1 0.104 5 6 0 -11.5035093085701 4766019 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 2.332 5 4 0 -5.85202761626709 4766018 CC1=NN(C(=C1[N+](=O)[O-])C(=O)NNC(=S)NC2=CC(=CC=C2)OC)C 1 2.376 6 4 0 -6.80655506388424 4766017 CC(C)CNC(=S)NNC(=O)C1=CC=C(C=C1)OC(F)F 1 3.417 3 2 -7.43175316737708 4766015 CC1=CC(=CC=C1)NC(=O)CN2C(=CC(=N2)C(F)(F)F)C3CC3 1 3.876 3 1 -4.59869075504409 4766010 C1=CN(N=C1[N+](=O)[O-])CCC(=O)NC2=NC=CS2 1 0.795 5 3 0 -14.9739477581989 4765933 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2N3C=CC=C3 1 2.652 3 2 -2.43500324487648 4765932 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-] 1 1.904 5 4 0 -9.51267423600992 4765929 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)Br)C 1 3.186 4 2 -6.05628564502557 4765880 CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3C(CC(=N3)C(F)F)(C(F)F)O)C)[N+](=O)[O-] 1 2.437 5 4 0 -7.13029825307597 4765844 CC1=C(C(=NN1C(C)C(=O)NNC(=S)NC2=CC(=CC=C2)OC)C)[N+](=O)[O-] 1 2.566 6 4 0 -7.38281573767404 4765842 C1CC1C2=CC(=NN2CC(=O)NCC3=CC=CC=C3F)C(F)(F)F 1 3.602 3 1 -14.4511762535915 4765832 CC1=NN(C=C1)CC(=O)N2C(CC(=N2)C(F)F)(C(F)F)O 1 0.665 4 2 0 -12.1562308725164 4765761 CC1=CC(=NN1CC(=O)NNC(=S)NCC(C)C)C(F)(F)F 1 2.629 5 1 -13.6858171413247 4763948 COC1=NC=C(C=C1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 3.588 3 3 0.423837350077919 4754711 C1=CC=C2C(=C1)C=CC=C2CN3C4=CC=CC=C4N=C3CCCNC=O 1 3.854 3 1 -6.96031803920658 4754707 CC(C1=NC2=CC=CC=C2N1CC3=CC=CC=C3)N4CCCCC4 1 4.803 3 0 -6.06194906674349 4754703 CN1C2=CC=CC=C2N=C1CN(C)C3=CC=CC=C3 1 3.49 3 0 4.75700984286596 4754649 CC(C)CN1C2=CC=CC=C2N=C1CCCNC(=O)C3=CC=CO3 1 3.692 3 2 -11.8041192807722 4754647 CCCCN1C2=CC=CC=C2N=C1CCCNC(=O)C3=CC=CO3 1 3.829 3 2 -11.9064107189213 4754645 C1=CC=C2C(=C1)NC(=N2)CCCNC(=O)C3=CC=CO3 1 2.295 3 2 -8.72044264578382 4754593 CC(C)CN1C2=CC=CC=C2N=C1CCNC(=O)C3=CC=CO3 1 3.371 3 2 -10.6180917553497 4754591 CCCCN1C2=CC=CC=C2N=C1CCNC(=O)C3=CC=CO3 1 3.508 3 2 -10.8758491870365 4754543 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=O)C(=C)C 1 3.772 2 1 -3.00544157732474 4754542 CC1=CC=CC=C1CN2C3=CC=CC=C3N(C2=O)C(=C)C 1 3.772 2 1 -4.79493730664206 4754282 CCCN1C2=CC=CC=C2N=C1C3CC(=O)N(C3)C4=C(C=CC(=C4)OC)OC 1 3.587 3 3 -6.1696963066515 4754223 CCN1C2=CC=CC=C2N=C1C3CC(=O)N(C3)C4=CC(=CC(=C4)C)C 1 4.069 3 1 -5.20029815001507 4754222 CC1=CC(=CC(=C1)N2CC(CC2=O)C3=NC4=CC=CC=C4N3C)C 1 3.72 3 1 -4.02126121835041 4754187 CC(=C)CN1C2=CC=CC=C2N=C1C3CC(=O)N(C3)CC4=CC=CC=C4 1 3.818 3 1 -12.0679316833964 4754183 C1C(CN(C1=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3 1 2.549 3 1 -7.24722228442418 4754175 CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2C4CC(=O)N(C4)CC5=CC=CC=C5 1 4.873 3 2 -9.87840833711733 4754173 CCN1C2=CC=CC=C2N=C1C3CC(=O)N(C3)CC4=CC=CC=C4 1 3.103 3 1 -7.76964695588322 4754109 CC(=C)CN1C2=CC=CC=C2N=C1C3CC(=O)N(C3)C4=CC=CC=C4F 1 4.016 3 1 -8.49608675291227 4754079 C1C(CN(C1=O)C2=CC=CC=C2F)C3=NC4=CC=CC=C4N3 1 2.747 3 1 -3.67537735394008 4753825 C1C(CN(C1=O)C2=CC=CC(=C2)C(F)(F)F)C3=NC4=CC=CC=C4N3 1 3.484 3 1 0.294778655881181 4753811 CCN1C2=CC=CC=C2N=C1C3CC(=O)N(C3)C4=CC(=C(C=C4)C)C 1 4.069 3 1 -5.1516289829866 4753717 CC1=CC(=C(C=C1)N2CC(CC2=O)C3=NC4=CC=CC=C4N3)C 1 3.514 3 1 -2.7691369501522 4753703 CCC(=O)NC(CC1=CC=CC=C1)C2=NC3=CC=CC=C3N2 1 3.373 3 1 -2.68913247372884 4753645 CC(=O)NCCCC1=NC2=CC=CC=C2N1CC3=C(C=CC=C3Cl)F 1 3.894 3 1 -10.6013509804312 4753644 CC(=O)NCCCC1=NC2=CC=CC=C2N1CC3=CC=CC=C3F 1 3.23 3 1 -11.9862007147143 4753639 CC(C1=NC2=CC=CC=C2N1CC=C)NC(=O)COC 1 1.709 3 2 0 -13.5147141195828 4751686 COC1=CC=CC(=C1)C(=O)N2C(CSC2C3=CC=CC=C3Cl)C(=O)O 1 3.724 1 4 -11.458012228787 4750200 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC 1 2.92 2 5 0 -20.5057223413829 4750199 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC 1 2.418 2 6 0 -20.7499157016176 4750197 COC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CCN2C(=O)C4=CC=CC=C4)OC)OC)OC 1 4.448 1 5 -19.9750666385602 4750194 COC1=CC=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2C4=CC(=C(C=C4)OC)OC)OC)OC 1 4.432 1 6 0 -19.4236124312855 4750171 COC1=C(C=C2CN(CCC2=C1)C(=O)NC3=CC=CC=C3)OC 1 2.777 2 3 -12.316233826221 4750128 CC1=C(OC2=CC=CC=C12)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC 1 3.95 1 4 -3.63746293830775 4750090 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)Br 1 3.243 6 4 0 -8.50168630062143 4749459 CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC2C(=O)O 1 -9.3e-002 2 5 0 -10.5205959138279 4749450 CCOC1=CC=C(C=C1)S(=O)(=O)N2CN3CCN(C3)C2 1 1.14 3 3 0 -13.3801269675433 4749449 COC1=CC=C(C=C1)S(=O)(=O)N2CN3CCN(C3)C2 1 0.792 3 3 0 -12.6139038158353 4749448 C1CN2CN1CN(C2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.014 3 2 0 -11.4890605812259 4749338 CC(C1=CC=CC=C1)NC(CC(=O)NC2=CC=C(C=C2)OC)C(=O)O 1 -0.475 2 4 0 -11.8690103365354 4749324 CC1=C(C(=CC=C1)NC(=O)CC(C(=O)O)NCC2CCCO2)C 1 -1.088 2 4 0 -13.7949107904614 4749176 CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)C)NC(=O)C3CC=CCC3C(=O)O 1 3.812 1 5 -1.88297965457426 4748886 CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NS(=O)(=O)C3=CC=CC=C3 1 4.32 1 4 -18.0899619562563 4748623 CC1=CC=C(C=C1)N2C(=NNC2=S)C(C)N3C(=C(C(=N3)C)[N+](=O)[O-])C 1 3.473 6 2 0 -6.11844918985865 4748346 C1C(C1C2=NNC(=S)N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl 1 5.384 3 0 -2.99975142657424 4748336 CC1=C(C(=NN1C(C)C2=NNC(=S)N2C3=CC=C(C=C3)OC)C)[N+](=O)[O-] 1 2.97 6 3 0 -6.34311880466899 4748329 CC1=C(C(=NN1C(C)C(=O)NNC(=S)NC2=CC=C(C=C2)F)C)[N+](=O)[O-] 1 2.788 6 3 0 -6.61467789775231 4748327 CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC(C)C3=CC=C(C=C3)C(C)(C)C)C)[N+](=O)[O-] 1 4.955 4 3 0 -9.27853158711651 4748302 CC1=C(C(=NN1C(C)C2=NNC(=S)N2C3=CC(=CC=C3)Cl)C)[N+](=O)[O-] 1 3.651 6 2 0 -1.98385207200892 4748301 CC1=C(C(=NN1C(C)C2=NNC(=S)N2C3=CC=C(C=C3)F)C)[N+](=O)[O-] 1 3.192 6 2 0 -5.2182755700596 4748298 CC1=NN(C(=C1[N+](=O)[O-])C(=O)NNC(=S)NC2=CC=C(C=C2)Cl)C 1 3.057 6 3 0 -4.92829555884095 4748292 COC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br)OC 1 3.375 4 3 0 -7.79762335216205 4748289 CC1CN(CC(O1)C)C(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)Br 1 4.002 1 3 -9.50227227760495 4748288 CC1=C(C(=NN1C(C)C(=O)NNC(=S)NC2=CC=C(C=C2)Cl)C)[N+](=O)[O-] 1 3.246 6 3 0 -5.50455623263074 4748277 CC1=NN(C(=C1[N+](=O)[O-])C(=O)NNC(=S)NC2=CC=C(C=C2)F)C 1 2.598 6 3 0 -6.03841722396252 4747376 CCC(CO)NCC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)OC 1 3.275 2 4 -3.61471703190348 4746758 C1=CC=C2C(=C1)NC(=N2)SC(CC3=CC=C(C=C3)Cl)C(=O)O 1 4.615 2 2 -0.201498523458374 4746352 C1COC2=C(O1)C=CC(=C2)NC(=O)C3CC=CCC3C(=O)O 1 1.602 1 5 0 -8.41185210587472 4744972 CC1=CC=C(C=C1)N2C(=NNC2=S)C3CC3C4=CC=C(C=C4)Cl 1 5.206 3 0 -2.17343248435668 4744896 CC1=CC=C(C=C1)C2CC2C3=NNC(=S)N3C4=CC=C(C=C4)C 1 5.028 3 0 -4.82175011716105 4744895 CC1CCCCN1C(=O)C2=CC=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-] 1 3.473 2 5 0 -11.3732671984877 4744891 CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C(=NN2C)C)[N+](=O)[O-] 1 2.878 6 3 0 -6.93859084376157 4744889 CC1=CC=C(C=C1)C2CC2C3=NNC(=S)N3C4=CC=C(C=C4)Cl 1 5.206 3 0 -2.17343248435668 4744770 C1C=CCC(C1C(=O)NNC(=O)CC2=CC=C(C=C2)Cl)C(=O)O 1 1.773 2 4 0 -6.98626964283612 4744758 CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CC=CC=C2O)C(=O)O)C 1 1.724 2 5 0 -4.17004322014256 4744756 CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CC=CC=C2)C(=O)O)C 1 1.966 2 4 0 -7.35757032325959 4744732 CC1=C(CC(C(C1)C(=O)NC2CCCC2)C(=O)O)C 1 2.535 1 3 -6.22838196699752 4744722 CC1=C(C(=NN1C)C)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N 1 1.388 4 2 0 -17.3305431205853 4744486 C1CCC(CC1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5 1 2.725 4 1 -8.963482322645 4744362 COC1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCC2=CC=CC=N2 1 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COCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2N=CC5=CC=CO5 1 2.581 6 3 0 -6.25951507383808 4694509 COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3)OC 1 1.665 4 4 0 -18.5999968719039 4694452 CCC(C)(C(=O)NC1CCCCC1)N(C2=CC=C(C=C2)C)C(=O)C3=CC=CC=N3 1 4.822 3 2 -14.9513310960439 4694432 COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)CC3=CC=CC=C3 1 4.301 3 1 -7.46415400017399 4694421 C1CCCCCC(=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)CCCCC1 1 3.95 3 4 0 -25.2432546378082 4694327 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=CC=C3OCC(=O)O)[N+](=O)[O-] 1 1.613 4 8 0 -21.5314293921366 4694326 CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3)C4=CC(=CC=C4)OC 1 3.63 4 2 -9.94142434368635 4694254 COCC(=O)OCC(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-] 1 0.952 2 6 0 -9.72083071305311 4694211 COC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.385 5 4 0 -21.1130270121888 4694208 COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)OC4=CC=CC=C43)N)C#N)CN5C=C(C=N5)[N+](=O)[O-] 1 2.707 5 6 0 -20.5687936233264 4694173 CC(=O)CC1=NSC(=N1)NC2=CC(=CC=C2)OC 1 1.463 3 2 0 0.524716612566824 4694140 CCCCCCNC(=O)CC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)O 1 5.56 1 2 -9.77233471416658 4694021 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)N3C(CCCC3C)C 1 2.34 3 4 0 -13.3456001292501 4694019 COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3 1 3.075 1 5 -10.9118024492429 4693998 CSC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.202 3 3 -17.8368511463011 4693985 CCN1CNC(=S)N(C1)CCC2=CC(=C(C=C2)OCC)OCC 1 4.033 3 2 -10.8436566872893 4693896 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C(C)C)C 1 3.245 4 2 -23.7596002766453 4693878 CC1=CC(=CC(=C1)NC(=O)CC(=NNC(=O)C2=CC=CC=N2)C)C 1 2.205 4 2 -10.8376814940617 4693625 C1CC(OC1)CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CC=CC=C3 1 2.262 2 6 0 -22.0206387629095 4693596 C1CCN(C(C1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=CC=C3 1 4.755 2 4 -10.9025996797456 4693526 CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)OCCC4=CC=CC=C4)C 1 5.974 2 4 -3.10103009750092 4693349 CC1=CCC(CC1=NNC(=O)COC2=CC=CC(=C2)C)C(=C)C 1 3.916 2 2 -4.79925494089996 4693323 C1=CC=C(C(=C1)N2C(=C(SC2=S)C(=O)NC3=CC=C(C=C3)F)N)F 1 4.304 3 1 -3.74991954845215 4693284 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=C(C=C3)Br 1 2.561 2 4 -19.8423850610804 4693206 COC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=C(C=CC(=C4)Cl)OCC(=O)OC 1 4.569 2 5 0 -14.2827865921561 4693113 CN1C2=CC=CC=C2C3(C1=O)NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)OC 1 3.418 3 3 -2.21778984653788 4693103 CN(C)C(=O)COC(=O)C1=CC=CC=C1NC2=CC=C(C=C2)SC(F)F 1 3.864 2 3 -8.76267122679972 4693065 C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1C(=O)C3=CC=C(O3)Br)C4=CC=CC=C4 1 3.873 2 3 -17.9541489136472 4693061 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=CNC4=CC=CC=C43 1 4.703 2 3 -15.4019961771789 4693003 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC4=CC=CC5=C4N=CC=C5 1 4.326 2 4 -12.4593129252072 4692959 CC1=C(N2C=CC=CC2=N1)C(=O)NN=C(C)C3=CC=C(C=C3)N4CCOCC4 1 1.965 5 2 0 -8.62159480750926 4692859 CCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.976 3 5 0 -28.9246319216608 4692800 CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)C3=CC=C(C=C3)C 1 4.16 2 3 -20.7562984952652 4692784 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C5=CC=CC=C5C=C4)[N+](=O)[O-] 1 5.122 4 3 0 -4.99313517545583 4692751 CC(C1=CC=CO1)N(C2=CC=CC=N2)C(=O)C3=CC=CC=C3F 1 3.664 2 2 -6.8191776370631 4692718 CC1CN(CC(O1)C)C2=C(C(=NC(=N2)NC3=CC=CC=C3F)N)[N+](=O)[O-] 1 2.521 6 3 0 -5.01899447631943 4692559 C1=CC=C(C=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(=O)O 1 0.535 6 4 0 -5.4786728864782 4692537 C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4 1 3.686 3 4 0 -25.537861376297 4692200 CCCCC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.733 5 4 0 -10.2502407351264 4692144 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC(C)C2=CC=CC=C2 1 2.52 2 5 0 -26.9983845486039 4692079 C1C(C2=C(C(N1)CCl)NC3=CC=CC=C32)C4=CC=CC=C4Cl 1 4.63 2 0 -5.32259867642337 4691956 CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 3.213 0 5 -8.39158912537032 4691876 CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=C(C=C3)OC 1 3.913 2 3 -9.83402989391309 4691872 COC1=CC=C(C=C1)C2C(NN=C2C(=O)C3=CC=C(C=C3)Cl)C(=O)OC 1 3.134 2 4 -4.80549511387586 4691863 CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C(=NC=C3CO)C)OC2=NC4=CC=CC(=C4)C(=O)N 1 2.497 4 4 0 -5.38394981899131 4691858 C1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)CC6=CC=CO6 1 4.738 3 2 -3.04911149702505 4691630 C1CCCN(CC1)C(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 2.991 1 3 -13.3663312938386 4691525 COC1=CC(=C(C=C1)OC)C=NNC(=O)CNC(=O)C2=CC=CC3=CC=CC=C32 1 2.618 3 4 0 -11.1813480956382 4691254 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)C(=O)O 1 3.183 2 6 0 -4.58492963038282 4691245 C1=CN=CC=C1C=NNC(=O)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-] 1 1.079 5 6 0 -3.06796724665635 4691222 COC(=O)NN=CC1=CC=C(C=C1)OC(=O)C2=CC=CO2 1 2.489 2 5 0 -9.65932694897636 4691138 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NC(=O)C=C(N3)N 1 0.448 6 3 0 -22.4117730091501 4690987 CC(C)CC(C(=O)NC1=CC=CC=C1OC)NC(=O)C2CCCCC2 1 3.836 2 3 -16.2064270373066 4690978 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC4=CC=CC=C4O3 1 2.678 2 5 0 -13.398526604473 4690885 C1C=CCC2C1C(=O)N(C2=O)CC3=NN=C(O3)C4=CC=CC=C4Br 1 2.259 3 3 -6.32199347165183 4690858 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.511 3 7 0 -27.6106832274698 4690797 CC1=CC2=C(C=C1)OCC(=O)N2C(C)C(=O)NCC3=CC=CC=N3 1 1.504 3 3 0 -13.7386638005683 4690796 C1CCC(CC1)C(=O)NCC(=O)NCC2=CC=CO2 1 1.325 2 3 0 -13.2128674336282 4690722 CC1CCCCC1NC(=O)C2CC=CCC2C(=O)O 1 2.417 1 3 -9.99134237601057 4690644 CC1CCCCC1NC(=O)CCN2C(=O)COC3=C2C=C(C=C3)C 1 2.797 2 3 -14.8375229033876 4690629 CC(C)C(C(=O)NCC1=CC=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 2.477 3 5 0 -34.2943565021384 4690628 C1CS(=O)(=O)CC1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4F 1 2.593 4 4 0 -23.8021488959143 4690553 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NC3=CC=C(C=C3)OC)C 1 2.067 1 4 7.13877845611164 4690498 CCOC1=C(C=CC(=C1)C=NNC(=O)CSC2=NN=C(S2)C)OCC3=C(C=C(C=C3)F)Cl 1 4.581 4 3 0 -20.3839435613797 4690496 C1=CN=CC=C1C(=O)NN=CC2=CC(=C(S2)Br)Br 1 2.802 3 1 -6.09528588173008 4690424 CC(C(=O)NC(=O)NC)OC1=CC=CC=C1F 1 1.343 2 3 0 -8.61178065245367 4690422 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCCN3C(=O)CSC3=O)C 1 1.487 3 7 0 -37.8091244145537 4690415 CCOC(=O)NN=C(CCC(=O)O)C1=CC=CS1 1 1.79 2 4 0 -11.7076297053576 4690359 COC1=CC(=CC(=C1)C(=O)NC2=NN=C(O2)C3=CN=CC=C3)OC 1 1.272 4 4 0 -7.52606739977417 4690324 CC(C1=CC=CO1)N=C2C=CC=CN2C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.691 3 2 -2.5286758160598 4690298 CC1=C(C=C(C=C1)C(=O)OC2=CN=CC=C2)[N+](=O)[O-] 1 2.492 2 4 -10.1899688666321 4690281 CN(C)C(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2OC 1 1.028 3 3 0 -16.0366404251377 4690253 CC1CCC(CC1)NC(=O)CNC(=S)N2CC3CC(C2)C4=CC=CC(=O)N4C3 1 2.242 4 2 -20.3837558422943 4690249 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4NC3=S 1 3.292 3 3 -15.4014456627422 4690208 C1CCC(C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=C(C=CC=C3Cl)F 1 2.604 4 3 0 -25.1249317474809 4690172 C1=CC(=C(N=C1)[N+](=O)[O-])OCC(=O)NCCC2=CC=C(C=C2)F 1 2.266 3 4 0 -9.74430688212237 4690171 CC1=CC(=NO1)NC(=O)COC2=C(N=CC=C2)[N+](=O)[O-] 1 0.871 4 5 0 -16.2869295312097 4690158 CC1CCC(CC1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC 1 2.295 2 4 -13.3860897814478 4690129 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4CCOCC4)C(=O)NCC5=CC=C(C=C5)F 1 1.378 6 3 0 -24.6508870559454 4690123 CC(C1=CC(=C(C=C1Br)OC)OC)NC(=O)C2=CC=CC=C2 1 3.714 1 3 -11.3563780574387 4690120 CC1(CC(C(=O)O1)CC(=O)NNC2=NC(=CS2)C3=CC=CC=C3)C 1 1.983 3 3 0 -3.19817932024465 4690086 CC(C)CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC3=C(CCC3)C=C2)C 1 2.766 3 3 -11.4492670164925 4690074 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)O 1 1.126 3 9 0 -22.2311649595161 4690066 CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=NC=C2 1 1.549 3 5 0 -12.1868380408526 4689980 CC1=C(C(=NN1CCC(=O)NNC(=S)NC)C)Br 1 1.346 5 1 0 -15.6160733834402 4689899 C1=CC(=CC(=C1)NC(=O)NCCC2=CN=CN2)C(F)(F)F 1 1.685 4 1 0 5.97573097449426e-002 4689860 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-] 1 0.861 2 6 0 -17.9387299569836 4689786 COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)NC(=S)NCC3CCCO3 1 3.1 3 5 0 -13.8760486665547 4689785 C1C=CCC2C1C(=O)N(C2=O)CC(=O)NC3=NC4=C(S3)C=C(C=C4)F 1 1.902 3 3 0 -4.12574511311046 4689753 CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.074 4 5 0 -16.5841546699748 4689555 COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl 1 3.529 3 3 -11.8254198803632 4689539 CC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C(C=CC(=C42)N(C1=O)C)Br 1 2.95 1 3 0.337051197709115 4689519 CONC=NC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)F 1 1.694 3 3 0 -9.99172910748805 4689373 CCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(NC(=C3C(=O)OCC)C)C 1 3.828 3 3 -8.46641054798618 4689299 C1=CN(C=C1)C2=C(SC=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)F 1 2.609 3 3 -10.161162070619 4689284 CCC(=O)N(C)C(C1=CC=CC=C1Cl)C2=NN=NN2C3=C(C=CC=C3C)C 1 4.266 5 1 -12.5087192459343 4689283 C1CN(CCN1)C2=C(C=C(C(=C2Br)N)[N+](=O)[O-])F 1 1.515 4 2 0 -2.92540914796885 4689210 CCCCN1N=C(N=N1)NC(C2=CC=C(C=C2)F)P(=O)(OCCCC)OCCCC 1 5.031 5 3 0 -9.82168060291162 4689068 CC1=CC=CC=C1N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)OC)Cl)C5=CC=NC=C5 1 6.323 5 2 0 -10.503745082635 4689041 CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)OC)O 1 2.964 1 4 -6.12105993444623 4689009 CCCCNC(=O)C(=O)NN=CC1=CC=C(C=C1)C(=O)OC 1 1.557 3 4 0 -15.5472035516959 4688990 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 3.525 3 4 0 0.818261494534065 4688974 CC1=C(SC2=NC(=NC(=C12)N3CCOCC3)C)C(=O)NC4=CC=C(C=C4)C(F)(F)F 1 3.961 4 2 -8.84138074852654 4688973 CC1=C(SC2=NC(=NC(=C12)N3CCOCC3)C)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC 1 2.969 4 5 0 -17.5336077531324 4688972 CC1=C(SC2=NC(=NC(=C12)N3CCOCC3)C)C(=O)NC4=CC=CC=C4C(F)(F)F 1 3.961 4 2 -13.2083235076461 4688970 CC1=C(SC2=NC(=NC(=C12)N3CCOCC3)C)C(=O)NC4=C(C=C(C=C4)F)Cl 1 3.889 4 2 -11.4770214780698 4688969 CC1=C(SC2=NC(=NC(=C12)N3CCOCC3)C)C(=O)NC4=C(C=C(C=C4)F)F 1 3.43 4 2 -12.0367702029236 4688968 CC1=C(SC2=NC(=NC(=C12)N3CCOCC3)C)C(=O)NC4=C(C=C(C=C4)OC)OC 1 2.986 4 4 0 -16.9155161452625 4688963 CC1=C(SC2=NC(=NC(=C12)N3CCOCC3)C)C(=O)NC4=CC=CC=C4Cl 1 3.683 4 2 -12.3461735696552 4688899 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC(=CC=C3)O)O 1 2.219 2 3 -2.91877452329611 4688869 CC1=CC2=C(C=C1C)N(C=N2)C3CC(=O)N(C3=O)CC4=CC=C(C=C4)N5CCCC5=O 1 2.808 4 3 0 -11.9235481223745 4688829 CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C3N(C(=O)CS3)CCC4=CC=CC=C4 1 4.838 2 2 -12.0808036102916 4688586 C1CCC(=NCC1)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.341 4 2 -7.229468955051 4688531 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 2.658 3 2 -3.78435514164869 4688504 CC(C)C(=O)NC1=CC=CC(=C1)N2CCN(CC2)CCCN3C(=O)C4CCCCN4C3=O 1 2.384 5 3 0 -9.71600703472365 4688477 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C 1 3.243 3 5 0 -8.3435250475972 4688474 CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)CCC(=O)O)OS(=O)(=O)C5=CC=C(C=C5)C 1 4.566 1 8 0 -33.8767734200277 4688429 CN(C1=CC=C(C=C1)OC)C(=O)CC2=C(NC3=CC=CC=C32)C(=O)O 1 3.053 2 4 -4.9811730377388 4688385 CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)N(C)C 1 1.834 3 3 0 -3.42785705552458 4688298 CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NN=C(S2)N 1 1.733 4 2 0 -12.741505854933 4688169 CC(C)COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCCO5)OC 1 5.175 2 5 0 -18.7914128745713 4688103 CC(C1=CC=CC=C1)NC(=O)CSC2=NNC(=N2)N 1 1.468 5 1 0 -12.5995209733575 4688073 CC1(CC2CC(C1)(CN2C3=CC4=CC(=C(C#N)C#N)CCC4CC3)C)C 1 4.454 3 0 -9.52259343158658 4688027 CCOC(=O)C(C(F)(F)F)(NCC1=CC=CO1)NC(=O)C2=CC=CC=C2 1 2.861 2 4 -11.8321395340739 4688002 CCCCN(C1=CC=CC=C1)C(=O)C2=CN=C3N(C2=O)CCS3 1 2.758 3 2 -14.5647403720297 4687958 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC=C)Br)C 1 4.296 4 3 0 -6.871358530518 4687895 C1=CSC(=C1)C=NNC2=NC=C(C=C2)[N+](=O)[O-] 1 2.047 4 2 -2.63396253841686 4687861 CC(=NNC1=NC(=O)CC(S1)C(=O)NC)C2=CC=C(C=C2)F 1 1.58 4 2 0 -10.3156717582108 4687838 CC1CCCCC1NC(=O)CCCC2=C(C=C(C=C2)OC)C 1 4.632 1 2 -12.5024647456102 4687787 C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])N5CCCC5 1 3.596 8 3 0 -0.57623126314692 4687711 CCN1C=C(C(=N1)C(=O)N2C(CC(=N2)C3=C(C=C(C=C3)OC)OC)C4=CC=CC=C4O)[N+](=O)[O-] 1 3.463 5 6 0 -6.16440719945154 4687699 CC1=CC(=CC(=C1)C(=O)N2CCN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C 1 4.758 3 3 -13.8006127418573 4687568 CC1=CC=C(C=C1)CSC2=NCCN2C(=O)C3=CC=CO3 1 3.773 2 2 -10.0684435534623 4687565 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=NC=CS3 1 0.856 5 6 0 -27.1044011213851 4687550 CCN(CC)C(=O)N1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 1.529 4 5 0 -14.914235410547 4687543 CCCCN1C=CN=C1C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC(CC(C3)C)C 1 3.735 3 3 -22.5967209494577 4687447 CCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=N2)C 1 2.498 4 3 0 -17.2214242253783 4687375 CCCCN1C2=C(N=C1C3=CC=C(C=C3)OC(F)F)N(C(=O)NC2=O)CC(C)C 1 4.945 4 3 0 -5.76815398713997 4687360 CC1(CC2=C(C(N1)(C)C)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C 1 2.926 4 3 0 -37.5092204868026 4687168 CN1C(=NC(=N1)[N+](=O)[O-])N2CCOCC2 1 -1.8e-002 5 3 0 -3.88180484897535 4687157 C1C(C(=O)N(C1=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)Cl 1 4.471 2 3 -13.0841329445715 4687100 CC1=NN=C(S1)NC(=O)CSCC2=CC=CC=C2 1 1.749 3 1 0 -16.7441978928583 4686992 CC1=C(C(C2=C(N1)N(C(=O)N(C2=O)C)C)C3=CC=NC=C3)C(=O)OC 1 0.18 4 4 0 -27.4658545532023 4686955 C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 3.282 3 6 0 -15.1179753442635 4686951 CCC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=CC=C3 1 2.177 5 1 -6.60643539529615 4686761 COC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)F 1 2.644 3 3 -1.47388387427598 4686732 CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C)C 1 4.059 3 3 -12.390189596936 4686672 CCC(CO)(CO)N(CC(=O)NC1=CC=C(C=C1)OC)CC(=O)NC2=CC=C(C=C2)OC 1 1.238 3 6 0 -6.24913030515641 4686628 COC1=C(C=C(C=C1)NC(=O)CCSCCC2=CC=CC=N2)OC 1 2.543 2 3 -14.537757723505 4686631 C1=CC=NC(=C1)CCSCCC(=O)NC2=NC=C(C=C2)Cl 1 2.628 3 1 -7.63059619288736 4686632 CC(=O)NC1=CC=C(C=C1)NC(=O)CCSCCC2=CC=CC=N2 1 1.696 3 2 0 -12.3975567112253 4686636 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2F)S(=O)(=O)N3CCCCC3 1 3.043 2 4 -12.6956445953402 4686668 C1CC2=CC=CC=C2N(C1)C(=O)CN3C(=O)C(NC3=O)CC4=CC=CC=C4 1 2.458 3 3 -11.7272978560199 4686518 CC1=C(SC(=N1)Cl)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.462 2 1 -6.95971538597509e-002 4686479 CCCC(=O)NC(C)C1=NC2=CC=CC=C2N1CC 1 2.828 3 1 -15.7838052640419 4686334 CCOC(=O)C(=NNC1=C(C=CC(=C1)C(F)(F)F)Cl)N(C)C2CCN(CC2)C 1 3.506 4 2 4.3792870859233 4686330 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=NN=C(O3)C4=CC=CO4 1 2.759 3 3 -1.15338432012212 4686325 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)OC 1 1.876 4 5 0 -21.8008593722274 4686258 CNC1=NC2=CC(=C(C=C2N=C1NC)[N+](=O)[O-])[N+](=O)[O-] 1 0.833 6 4 0 -3.80832917597074 4685930 COC1=CC(=C(C=C1NCCC(=O)C2=CC=CS2)OC)Cl 1 3.727 1 3 -9.87287719884197 4685877 C1CN(C(=N1)SCC2=CC=CC=C2F)C(=O)C3=CC=CS3 1 4.05 2 1 -16.0905749698874 4685800 CC1CC(NC(=S)N1CC(=O)NC2=CC=C(C=C2)C(C)C)(C)C 1 3.865 3 1 -8.96867490730081 4685672 CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=NC=C3 1 3.451 3 3 -11.0612764137607 4685607 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=N[N+](=O)[O-])N 1 2.513 5 3 0 -7.6154784978728 4685553 CC(=NNC(=O)C1=CC=CC=C1O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.206 3 3 -7.31097270118368 4685537 CC1=CC=CC=C1NC(=O)CN2C(=O)C3C4CC(C3C2=O)C(C4Br)Br 1 2.307 2 3 -11.5461830889471 4685444 CC1=CC(=CC=C1)OC(=O)C2=CC(=CN=C2)Br 1 3.346 1 2 -5.2690480757976 4685391 C=CCNC(=O)C(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3 1 3.644 2 2 -8.0106275828843 4685253 CCCCN(CC)C1=C(C(=C(C(=N1)N)C#N)CC#N)C#N 1 2.522 6 0 -7.13876129319762 4685252 C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=NC3=CC=CC=C3S2 1 2.605 2 3 -9.67362595252804 4685250 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3CCOC3=O)Cl 1 2.107 1 6 0 -20.6475234385389 4685221 CC1(CC2=C(C=C(C(=N2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C)C#N)C(=O)C1)C 1 2.379 4 4 0 -27.992701464664 4685195 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)NC3CCCCC3 1 3.395 3 2 -8.89182534602335 4685148 CN(C1CCCCC1)C(=O)CSC2=NC3=CC=CC=C3C4=NC(C(=O)N42)C5=CC=CC=C5 1 4.81 4 2 -18.3489174497026 4685120 CC1(C(=O)N(C(=O)N1)N)C2=CC=CC=C2 1 0.378 3 2 0 -4.12090096762187 4685113 C1=CC(=CC=C1C2=CC=C(O2)C=NNC3=CC(=C(C=C3)Cl)C(=O)O)F 1 5.153 2 3 2.00686473180157 4685091 CCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C 1 3.582 2 4 -22.4517022070977 4685085 CC1=CC=C(C=C1)S(=O)(=O)CC2=C(ON=C2C)C 1 2.307 1 3 -12.9708474707882 4685081 CC1=NOC(=C1C2(CCCCCCC2)O)C3=CC=CC=C3 1 4.398 1 2 3.31787932394849 4685080 CC1=NOC(=C1C2(CCCCCC2)O)C3=CC=CC=C3 1 3.942 1 2 3.31787932394849 4684945 CC(C)CNC(=S)NNC(=O)C1=NN(C=C1Cl)C 1 2.354 5 1 -8.71599235907683 4684908 CC(=NNC(=O)C1=CC=CC=C1F)C2=CC3=C(C=C2)SC4=CC=CC=C4N3 1 4.707 3 1 -9.9453057511892 4684892 CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC3=CC=CC=C3C=C2 1 4.703 3 0 -5.66497136383595 4684835 CN1C2=CC=CC3=C2C(=C(C1=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5C3=O 1 4.265 2 2 2.83847414898577 4684806 CC1=CC2=C(N1)C=CC(=C2)CNC(=S)NC3CCCCC3 1 4.538 3 0 -7.98060198929572 4684752 CCC1=CC=C(C=C1)C(=O)NNC(=O)CCN2CCN(CC2)CC3=CC=CC=C3 1 2.944 4 2 -5.04225775644284 4684737 C1=CSC(=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)O)NS(=O)(=O)C3=CC=CS3 1 2.008 2 6 0 -7.11819448925924 4684683 CN(C)C(=O)C[N+]1=CC=CC(=C1)C=NO 1 0.527 3 2 0 -3.12310822744556 4684670 CCOC1=CC=C(C=C1)N2C(=C3C=C(C(=O)C(=CC3=C2C)C(=O)OCC)C(=O)OCC)C 1 4.158 1 6 0 -3.91247862130496 4684569 C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCCl 1 3.236 2 1 -19.8808494855901 4684486 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3Cl)CCN4CCOCC4 1 3.219 4 5 0 -24.6443471069409 4684432 CC(C)OC(=O)C1=CC=CC(=N1)C(=O)NC2=NC(=CC=C2)NC(=O)C3=NC(=CC=C3)C(=O)OC(C)C 1 3.903 5 6 0 -13.7607873455908 4684353 CC1=NN(C(=C1)NC2=NC(=CC=C2)Cl)C3=CC=CC=C3 1 3.638 4 0 -1.55208979090846 4684213 CC(C)N1CCC(CC1)(C(=O)NC2=CC=CC=C2)N(CC=C)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 4.346 3 2 -10.6451912909121 4684113 CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C(=O)N)C 1 1.666 4 3 0 -6.4906858636293 4684057 CC1=CC=C(O1)C2C3=C(C(=O)N2CCCN4CCOCC4)OC5=CC=CC=C5C3=O 1 1.68 2 5 0 -13.084552604188 4684048 COC1=CC=C(C=C1)CCC(=O)NCC2=CC(=CC=C2)C(F)(F)F 1 4.038 1 2 -8.93979316552369 4683981 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NCCCN3C=CN=C3 1 -0.148 4 4 0 -20.4008116612289 4683977 CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)S(=O)(=O)NC4=CC=C(C=C4)OC 1 1.494 6 6 0 -22.671022567022 4683894 CCCNC(=O)CS(=O)(=O)C1=CC=CC=C1 1 1.288 1 3 0 -14.8998488874092 4683893 C1CS(=O)(=O)CC1NC(=O)CSC2=NC3=CC=CC=C3N2 1 0.996 3 3 0 -15.9628625245258 4683832 CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-] 1 2.245 4 5 0 -20.8201702616693 4683699 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)N=CC3C(=O)CC(CC3=O)(C)C 1 4.409 1 4 -1.71833676450959 4683593 CC1=CC(=C(C=C1)S(=O)(=O)NNC2=NS(=O)(=O)C3=CC=CC=C32)C 1 2.128 3 4 0 -5.51317580367876 4683516 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3)C 1 2.987 3 4 0 -5.24695664675022 4683508 CCOC(=O)C1=C(NC(=C(C1CC(C)C)C#N)SC)C 1 3.085 2 2 -24.7527388353002 4683507 CCC(C)N(C1=NC(=NC(=N1)NC(C)C)Cl)NC(=O)C 1 1.867 6 1 0 -9.55711892819914 4683370 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C(C)C)OCC 1 3.533 2 3 -8.8010494508976 4683339 CC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 2.66 4 3 0 -12.6540347374723 4683304 CC1=CC(=C(C=C1)C(=O)NN=C(C)CC2=CC=C(C=C2)OC)C 1 3.645 2 2 -5.36575400849951 4683299 CC(=O)NC1=NC2=CC3=C(C=C2S1)OCCO3 1 1.361 2 3 0 -4.75850825548363 4683236 CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=N4)Cl)Cl 1 6.051 4 1 -4.30862531910742 4683207 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=CC(=C4)C(F)(F)F 1 3.258 5 3 0 -20.0934772761256 4683129 CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC(=O)CC3C(=O)NC4=CC=CC=C4S3 1 4.44 2 4 -14.3664544681795 4682906 C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S 1 3.285 4 2 -9.20952789109598 4682896 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCCC3=CC4=C(C=C(C=C4)OC)NC3=O 1 3.519 3 4 0 -14.7586643024458 4682683 COCCCNC(=O)C(=O)C1C2=CC=CC=C2NC1=O 1 -0.189 2 4 0 -16.7707230040911 4682448 CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=CC=C(C=C2)Cl)C 1 4.997 1 3 -4.09811166852909 4682235 CCCS(=O)(=O)NCCC1=CC2=C(C=CC(=C2NC1=O)C)C 1 2.296 2 3 -12.2507866661681 4682206 CC1=C(C=C(C=C1)C(=O)NN2C=NC3=CC=CC=C3C2=O)C 1 2.762 3 2 -6.08351214852794 4682205 C1=CC=C2C(=C1)C(=O)N(C=N2)NC(=O)C3=CC(=CC=C3)Cl 1 2.454 3 2 -3.7847050325416 4682190 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OCC(F)(F)F 1 1.961 4 6 0 -23.85202648796 4682145 CC1CCCC(N1C(=O)CN2C(=O)C(NC2=O)(C)CC(C)C)C 1 2.011 3 3 -10.779760126594 4682095 COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NCCC3=C(C=CC(=C3)OC)OC 1 3.476 1 7 0 -15.4602095544013 4682093 CC(C)NC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=C(C=C2)OC 1 2.33 1 5 -16.5267084491885 4681948 COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC3CCCC3)CC4=CC(=O)NC(=O)N4 1 1.853 6 4 0 -26.5540636851185 4681922 CN1C2=C(N=C1NN=C3CCCC3)N(C(=O)N(C2=O)C)C 1 0.692 6 2 0 -12.983639440727 4681873 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-] 1 2.734 3 6 0 -15.5359350220876 4681839 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN2C(=O)C3=CC=CC=C3NC2=O 1 3.119 3 4 0 -7.89829493033584 4681816 CCC(=O)C1=CNC(=C1)C(=O)NCC2=CN=CC=C2 1 1.262 3 2 0 -10.6728325417817 4681808 CCC(C(=O)NC1=NN=C(S1)CC(=O)OCC)SC2=NN=CN2C 1 1.247 6 3 0 -25.686040449269 4681731 CC1=CC=C(C=C1)S(=O)(=O)NC(CO)CSC 1 1.33 1 3 0 -10.440467258117 4681728 CC1C(=O)N=C(S1)NC(=O)C 1 0.574 2 2 0 -9.43235842153619 4681661 C1CCCC(=NNC2=NC(=O)C(S2)CC(=O)NC3=CC=CC=C3C(F)(F)F)CC1 1 4.094 4 2 -13.8625227775325 4681632 CC1CC(NC(=S)N1CCC(=O)NCC2=CC=C(C=C2)OC)(C)C 1 2.909 3 2 -15.7180727252772 4681631 CC1CC(NC(=S)N1CCC(=O)N2CCC3=CC=CC=C32)(C)C 1 3.199 3 1 -15.6889003073882 4681574 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)NC4CCCC4)[N+](=O)[O-] 1 2.515 5 5 0 -16.5495576792924 4681569 CCSC1=NN=C(S1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC 1 2.055 4 3 0 -23.9104140312976 4681540 CCOC(=O)C1=C(N(C(=S)NC1C2=C(C=CC(=C2)OC)OC)C)C 1 3.205 2 4 -17.4431003555975 4681537 CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.016 5 7 0 -24.164391891749 4681504 CC1=CC=C(C=C1)C2(CCOC(C2)C(C)C)CC(=O)N3CCCC3 1 3.588 1 2 -12.8627029923985 4681440 CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)C 1 3.571 5 2 0 -0.83129061100546 4681455 C1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC=C3Cl)N 1 3.318 4 2 -15.9856773062175 4681472 CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)OC)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N 1 5.003 4 4 0 -15.2375050596391 4681407 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC 1 0.304 2 6 0 -23.8036798935833 4681400 CN(C)C1=CC=C(C=C1)C(=O)NC2CCCC3=CC=CC=C23 1 3.799 2 1 -8.40111207663968 4681384 COC1=C(C=CC(=C1)C(C(=O)OC)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)O 1 1.089 2 7 0 -11.9469696394247 4681327 COC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)Cl 1 3.642 3 2 -3.27335031482211 4681323 C1=CC=C(C(=C1)CC2=NC(=O)C3=CC=CC=C3N2)Cl 1 3.192 2 1 -4.83260171807408 4681219 C1CC1NC(=O)COC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3 1 1.368 2 6 0 -22.1540055368109 4681152 CN1C2=CC=CC=C2C(=C1N3CCOCC3)C=NO 1 2.13 3 2 1.59183737254704 4681127 C1CS(=O)(=O)CC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F 1 2.586 3 4 0 -28.4636024233942 4681116 CC(C)CC(=O)C1=CNC(=C1)C(=O)NCCOC 1 1.407 2 3 0 -9.91101475469664 4681057 C1COCCN1C2=NC(=C(S2)C=C(C(=O)NC3=CC=CC=C3F)C(=O)NC4=CC=CC=C4F)C5=CC=CC=C5 1 4.703 4 3 0 -0.872062383795128 4681039 CCN(CC)C1=NC=NC2=C1SC3=NC(=C4CCCC4=C23)N5CCOCC5 1 3.814 5 1 -8.81650688773747 4681038 C1=CC=C2C(=C1)NC(=O)N2CC3=CC=C(C=C3)Cl 1 3.146 2 1 -0.875368090645548 4681022 CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCOCCO)C#N 1 2.378 4 2 -12.6691896814911 4680979 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F 1 3.68 3 3 -8.86913092939257 4680946 C1=CC=C2C(=C1)N=CC(=N2)OC3=CC=C(C=C3)Cl 1 4.057 2 1 5.96895764936244 4680942 CN1C2=C(N=C1OCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC(=C(C=C5)Cl)Cl)C 1 4.689 4 5 0 -4.90095637768669 4680906 CC(=NNC(=O)C1=CC=CO1)CC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.679 3 3 -6.22558455435668 4680901 CCCC(C)C(=O)NC1=NN=C(S1)CCC2=CC=CC=C2 1 3.882 3 1 -13.9367598582397 4680897 C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C(=N)N(C=N5)CC6=CC=CO6 1 4.738 3 2 -1.36028117646833 4680891 CN(C)CCCNC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)OC 1 2.785 3 4 0 -12.0333890487132 4680792 CC1=CC=C(C=C1)C2CC(=O)C(=CNCCN3CCN(CC3)C(=S)NC4=CC=C(C=C4)F)C(=O)C2 1 4.511 4 2 -19.2285497767607 4680776 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC=C)C(=O)C 1 1.748 2 4 0 -10.4833518696414 4680765 CC1=CC(=C(C(=C1)C)OCC(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3)C 1 3.369 1 4 -17.4157750488389 4680599 C1C(N(CC2=CC=CC=C21)C(=O)COC3=CC=C(C=C3)Br)C(=O)O 1 3.102 1 4 -6.39865201199611 4680509 CC(C)NC1=NN=C(C(S1)CC(=O)O)C2=CC=CS2 1 2.692 3 2 -13.4320261197754 4680489 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3=NC(=CS3)C4=CC=CC=N4 1 1.737 4 3 0 -3.43107380709714 4680458 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=C(NC3=C2C=CC=C3C)C 1 3.951 3 4 0 -2.9748427366352 4680392 C1=CC=C(C(=C1)C(=O)C2=CNC(=C2)C(=O)C(Cl)(Cl)Cl)F 1 4.242 1 2 -2.79263139572616 4680274 C=CCC1C(=O)NC(=S)NC1=O 1 0.836 2 2 0 -12.1134101594061 4680215 CC1=C(C=C(N1C2=C(C=CC(=C2)OC)OC)C3=CC=C(C=C3)S(=O)(=O)C)C=O 1 3.914 1 5 -5.67178610859565 4680203 CC1=C(SC(=C1C(=O)OC)NC(=O)COC2=C(N=CC=C2)[N+](=O)[O-])C(=O)OC 1 2.007 3 8 0 -18.9681731637662 4680136 CC(=NNC1=NC(=O)C(=NN1)CC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3 1 2.638 5 3 0 -19.4803823157369 4680117 CC1=C(N2C=CC=CC2=C1)C(C[N+](=O)[O-])C3=C(C=CC=C3Cl)F 1 4.884 2 2 -3.42666195336384 4680101 CC(=O)NC1=C(N=C(S1)NN=CC2=CC(=CC=C2)Cl)C3=CC=CS3 1 3.618 4 1 -1.63343151331688 4680061 COC1=CC(=CC(=C1OC)OC)C(=O)N2C(COC3=CC=CC=C32)CC(=O)OC 1 2.557 1 7 0 -13.6137287320471 4680057 COC1=C(C=C2C3CC4=C(C=NN4C5=CC(=CC=C5)Cl)C(=O)N3CCC2=C1)OC 1 3.868 3 3 -3.1335595941791 4680056 CCOC(=O)CC1N(C(=O)N(O1)C)C2=C(C=C(C=C2)Cl)Cl 1 2.855 2 4 -7.35132276755155 4679896 C1CC1C(=O)NC2=CC=CN(C2=O)CC3=C(C=CC=C3Cl)Cl 1 2.376 2 2 -9.47061164864806 4679842 CC1=C(C=C(C=C1)OCC(=O)N(CC2=CC(=C(C=C2)OC)OC)C3CCS(=O)(=O)C3)C 1 3.11 1 6 0 -17.997220603459 4679774 CC1=CC=C(C=C1)C(=O)NC2CC(=O)C3=CC(=C(C=C23)OC)OC 1 2.777 1 4 -11.5096138241306 4679772 CC(C(=O)O)NC(=O)C1=CC=CC=C1F 1 1.209 1 3 0 -12.437827773968 4679766 COCCCN1C(=O)C(=CC2=CC(=C(C=C2)OC(F)F)OC)SC1=C(C#N)C(=O)NCCOC 1 2.023 3 6 0 -16.5560516919621 4679705 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC(=CC=C4)Cl 1 2.779 5 3 0 -11.435710434593 4679644 C1CC(OC1)CNC2=NC(=CS2)C3=CC4=CC=CC=C4O3 1 3.064 2 2 5.36192045453235 4679632 CC1CCCC(C1C)NC(=S)NC2=CC=C(C=C2)SC(F)F 1 6.305 2 0 -8.44816027275682 4679609 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCCOC23CC4CC(C2)CC(C4)C3 1 2.72 1 5 -7.82039727699675 4679495 CCN(CC)C(=O)C(=O)C1=CC=CN1C2=CC=CC=C2C#N 1 2.873 3 2 -7.69657941441742 4679493 C1CCN(CC1)CCNC2=C(C(=O)C3=CC=CC=C3C2=O)Cl 1 2.417 2 2 4.30920188990261 4679478 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CO4 1 2.373 4 5 0 -12.6038281559037 4679413 CC1=NN(C(=C1)NC(=O)C2=C(C=CC=C2OC)OC)C3=NC4=CC=CC=C4N3 1 3.272 5 3 0 -6.18480834480953 4679235 COC(=O)CN1C(C(=O)N(C1=S)C2=CC=C(C=C2)Cl)CC(=O)NC3=CC=CC=C3 1 3.643 3 4 0 -15.5724717429753 4679128 COC1=CC=CC=C1CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3 1 3.512 2 3 -2.67090490037834 4679126 CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OC)C)O)C(=O)C4=CC=C(O4)C 1 3.262 2 7 0 -20.2928864621057 4679114 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 2.727 3 3 -14.5269823244723 4679061 COC1=CC=C(C=C1)C(C#N)NC2=CC=C(C=C2)OC 1 3.055 2 2 -3.11701440871664 4679055 CSCCC(C(=O)OCC(=O)N1CCCC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.297 2 5 0 -23.6443771126018 4679028 CC1=C(N=CC=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O 1 1.857 3 3 0 -11.7218341917141 4678925 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4S3 1 3.892 2 3 -9.1810515954853 4678909 COC1=C(C2=CC=CC=C2C=C1)C3=CSC(=N3)N 1 2.919 2 1 6.2974230540417 4678875 CCN(C1CCCCC1)C(=O)COC(=O)C2=CC=C(O2)Br 1 3.121 1 4 -9.87564038061881 4678870 C1CC1C2=NN=C(S2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CC=C5F 1 3.074 4 3 0 -16.9912272637697 4678842 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F 1 4.557 4 4 0 -12.0587110887859 4678807 C1CCC(CC1)(CNC(=O)C2=CC(=CC=C2)Br)N3CCCCC3 1 4.556 2 1 -8.09101802941277 4678785 COC1=C(C=C(C=C1)C2CC(=NN2C(=O)C3=CC=CO3)C4=CC=CS4)OC 1 3.732 2 4 -9.05936906460748 4678779 C1C(C(=O)N(C1=O)CC2=CC=CC=C2)NC3=CC=C(C=C3)C(=O)O 1 1.971 2 4 0 -9.48673289075463 4678776 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3COC4=CC=CC=C4O3 1 3.31 2 3 -2.71657851026725 4678600 CC1(CC2=C(C(C(O2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)C1)C 1 2.868 1 4 -12.7554161498392 4678561 CN1C(=CC(=N1)C(F)(F)F)OCC(=O)N(C)C2=CC=CC=C2 1 2.801 3 2 -3.33399697133991 4678558 CCOC(=O)C(CC1=CC=CC=C1)C2=CC=NC3=NC=NN23 1 2.859 4 2 -10.5553525195862 4678554 C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CCCCl)O 1 2.548 0 3 -1.45073331215257 4678506 CC(CS(=O)(=O)C1=CC=CC=C1)(C(=O)NC2=CC=C(C=C2)C(F)(F)F)O 1 2.842 1 4 -7.32900030949459 4678504 COC1=CC=C(C=C1)CSC2=NN=C(O2)CC3=C(N=C(S3)C4=CC=CC=C4)C5=CC=CC=C5 1 6.433 3 2 -6.6119286937622 4678502 C1C=CCC(C1C(=O)NNS(=O)(=O)C2=CC=CC=C2)C(=O)O 1 0.776 2 5 0 -10.0703606314057 4678454 C1=CC(=C2C(=C1)N=CC=N2)C=NNC3=CC=C(C=C3)C(=O)O 1 2.542 4 2 -6.13651649577489e-002 4678346 C1=COC(=C1)C2=NC(=C(O2)OC(=O)C3=CC=CO3)C=NC4=CC=C(C=C4)Cl 1 4.688 2 5 0 8.31131735268712 4678304 CC1=C(C(=CC(=C1)C(=O)O)Br)N 1 1.947 1 2 0 7.33055521699268e-002 4678256 C1CC(CCC1C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)N4C(=O)C5C6C=CC(C5C4=O)C7C6C7 1 3.264 3 3 -10.4796325125055 4678178 C1=CC2=NC(=C(N2C=C1)CO)Cl 1 1.054 2 1 0 -2.56046182613059 4678176 CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C 1 2.377 2 3 -21.9392718622879 4678103 COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC=C3 1 4.533 3 2 -13.1995667257215 4678076 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl 1 3.102 3 4 0 -24.1976230077704 4678075 CCNC(=S)NN=C(C)C1=CC(=CC=C1)OC 1 2.544 3 1 -8.79213464431642 4677989 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 0.51 2 6 0 -19.5354752935149 4677944 C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)CC5=CC(=O)NC(=O)N5 1 2.989 6 3 0 -25.3298939456319 4677912 C1=CC=C(C(=C1)CO)N=CC2=CN=CC=C2 1 1.671 2 1 0 5.66565359107579 4677802 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=CN=CC=C2 1 1.533 3 6 0 -15.4261030394351 4677788 COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)S2)CC(=O)OC 1 3.454 2 7 0 -13.3255080032152 4677596 C1C(OC2=CC=CC=C2C1=NNC3=CC(=C(C=C3)Cl)C(=O)O)C4=CC=CC=C4 1 5.253 2 3 -3.24545519984025 4677544 CN1C=CC=C1C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2 1 3.732 2 1 -13.2921110828466 4677543 CC1(C(=C)N(C2=CC(=C(C=C21)N)[N+](=O)[O-])C)C 1 2.056 3 2 -5.85795513624353e-002 4677501 CC(=O)C1=CC(=CC=C1)NC(=O)CC2C(=O)N=C(S2)NN=C3CCCCCC3 1 2.892 4 3 0 -15.5720010340889 4677443 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4C5=CC=C(C=C5)F)SCC(=O)NC6=CC=CC=C6 1 4.777 5 2 0 -18.2037714653058 4677493 CC1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2 1 1.865 3 1 0 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C1=CC(=CN=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=C(O4)[N+](=O)[O-] 1 1.707 6 4 0 -9.70756018806869 4673487 CC1=C(C=C(C=C1)NC(=O)NC2CCCCC2)S(=O)(=O)N3CCOCC3 1 2.095 3 4 0 -20.5907680375921 4673473 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CNC(=O)C2=CC(=CC=C2)C 1 2.186 3 3 -17.6268365084141 4673391 CCC(CC)NC(=O)COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2OC)OC 1 3.106 2 7 0 -22.4078804473646 4673337 C1=CC=NC(=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OCCCF 1 3.342 3 1 4.25248744230489 4673307 CC(C)N(CC1=CC=CC=C1)CC(COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl)O 1 3.22 2 5 0 -18.3551390645123 4673296 CC1=CC2=C(N1)C=CC(=C2)CNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.989 3 3 -10.2838460934495 4673263 CC(=NNC(=S)NC1CCCCC1)C2=CC(=CC=C2)Br 1 4.818 3 0 -7.41062794740431 4673237 CC1=C(C=C(C=C1)NC(=S)NCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3 1 4.616 3 2 -20.2574681699939 4673219 CC1=C(C(=CC=C1)NC(=S)NC(C)C(C2=CC=CC=C2)N3CCN(CC3)C)C 1 5.57 4 0 -4.63934513149405 4673188 CC1=NN(C(=C1C(=O)NC2CCCC3=CC=CC=C23)Cl)CC4=C(C=C(C=C4)Cl)Cl 1 5.941 3 1 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2.442 4 4 0 -26.76227265849 4672214 CC(=NNC(=S)NCCOC)C1=CC(=CC=C1)OC 1 2.064 3 2 -12.5206110723561 4672174 CC(C)CC1=CC=C(C=C1)S(=O)(=O)NCC(C)C 1 3.583 1 2 -2.38294872394292 4672139 COC1=CC=CC=C1CNC(=O)CCN2C3=CC=CC=C3OC2=O 1 2.421 2 4 -14.0877127085975 4672117 CCC1=NN=C(S1)NC(=O)CSC2=NC(=CS2)C 1 1.689 4 1 0 -22.2832361782194 4672004 C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)O)[N+](=O)[O-] 1 0.538 3 7 0 -15.1899191828825 4671958 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.24 1 5 -11.5369970134989 4671907 CC1=CC=C(C=C1)C(=O)NC2=CC3=NC=CN=C3C=C2 1 2.565 3 1 -3.59790692158362 4671908 CC1=C(C=C2C(=C1)C(=CC(=O)N2)COC)NC(=O)C(C)(C)CCl 1 2.283 2 3 -12.181073532707 4671850 CC(=NNC(=S)NC1CCCCC1)C2=C(C=CC=C2F)F 1 4.481 3 0 -8.14729408579428 4671832 C1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)N=[N+]=[N-] 1 3.543 4 1 -3.7468412429929 4671810 CCCCCCC1C(=C(OC2=C1C(=O)CCC2)N)C#N 1 3.101 2 2 -16.8646069916934 4671794 COC(C1=CC=CC=C1)C(=O)NNC(=O)CC2=CC=C(C=C2)Cl 1 2.361 2 3 -17.6664604229179 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CC1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=CO3 1 2.336 3 3 -3.25335991596617 4656833 CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3N=C2CCCNC(=O)C4=CC(=C(C=C4)OC)OC 1 5.628 3 3 -15.135990036517 4656795 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=CC=CC=C4S3)C5=CC=CS5 1 5.372 3 2 -8.76948918109495 4656785 C1CCC(CC1)NC2=C(C=C(C=C2)N3C(=O)C4CCCCC4C3=O)[N+](=O)[O-] 1 4.017 3 4 0 -6.10882987277762 4656765 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C 1 1.535 5 3 0 -18.462673444287 4656756 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C 1 3.489 6 4 0 -22.9604059733306 4656755 CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)OC 1 4.021 2 4 -5.54419089621969 4656417 CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC 1 4.049 4 2 -8.99793820417367 4656182 C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 1 4.485 4 5 0 -28.4485508131444 4656101 CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=CC=CC=C3)C(=O)C1)C 1 1.706 4 1 0 -20.5774096965378 4655993 C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(SC(=C3)Cl)Cl 1 4.29 3 3 -13.159893805263 4656001 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl 1 6.227 2 2 3.70648272460017 4656016 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)C5=CC=CC=C5 1 2.584 8 4 0 -25.3847549163551 4655987 CC1=C(OC2=CC=CC=C12)C(=O)N(CC3=CC=C(C=C3)F)C4CCS(=O)(=O)C4 1 3.621 1 4 -3.01191478821992 4655961 CC1=CC=C(C=C1)CSCC(=O)NN=C2CCN(CC2)C 1 2.065 3 1 -9.49273096178845 4655947 CC1CC(CN(C1)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl)C 1 3.698 3 2 -11.7537036203485 4655877 COC(=O)NC(=S)N1CCOCC1 1 1.114 2 3 0 -13.3601229922831 4655871 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3=CC(=C(C(=C3)OC)OC)OC 1 3.074 2 7 0 -23.8951256404434 4655824 CCNC(=O)NC(=O)C(C)OC(=O)C1=C(C2=C(O1)C=CC(=C2)OCC)C 1 2.771 2 6 0 -2.04798258279692 4655733 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)C3=CC=C(C=C3)OC 1 4.392 3 4 0 -14.1724613973261 4655729 CC1=CC(=C(N1CCOC)C)C2=NN=C(SC2)NC3=CC=C(C=C3)F 1 3.389 4 1 -10.1209260993072 4655727 CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4 1 3.975 4 2 -7.40551132925951 4655726 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)F 1 1.367 6 3 0 -16.833453015294 4655725 CC1CCCCC1NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 3.503 2 3 -13.3461603786836 4655626 C1=CC=C(C(=C1)NCCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 2.143 3 4 0 -7.84353050062361 4655620 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC3=C(C=C2)OC(CC3=O)(C)C 1 1.528 2 6 0 -13.925594087823 4655589 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=C(C=C3)F 1 1.444 4 4 0 -9.85731124926807 4655569 C1C=NN2C1C3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5 1 2.612 4 3 0 -18.0120824301303 4655525 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3C(=O)C4(CCC5=CC=CC=C54)NC3=O 1 2.409 4 6 0 -11.3375860302837 4655469 COC1=CC=CC=C1C=NN2C(=O)C3C4CCC(C3C2=O)C=C4 1 2.195 2 3 -1.02260844699487 4655422 CC1CCCC(C1C)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.464 1 5 -18.9211166643665 4655416 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)CNC(=O)C3=CC=CC=C3F 1 1.372 2 6 0 -20.0799658660142 4655380 CC(C)(C)C(=O)C1C(C2(C3N1C=C(C=C3)C#N)C(=O)C4=CC=CC=C4C2=O)C5=CC=CC=C5 1 4.084 2 3 -6.80372057395972 4655315 CCN1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NC(=O)C4CCCO4 1 2.892 4 2 -11.988380489715 4655086 COC1=CC=CC=C1C2=CC(=NC(=N2)S(=O)(=O)C)C(F)(F)F 1 3.399 2 3 -3.26842514167102 4654944 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 0.492 2 7 0 -33.9498029045769 4654931 C1CS(=O)(=O)CC1NC2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4 1 0.989 2 5 0 -12.3037791092862 4654842 CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-] 1 4.058 2 6 0 -10.3137317349279 4654835 CC1=CC(=CC=C1)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.999 3 7 0 -35.5583986014267 4654829 CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NC(C)C(C)C 1 3.873 3 3 -11.6828939971135 4654817 C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)CCC(=O)O 1 3.165 3 3 -5.06579052478457 4654815 CCC1=CC=C(C=C1)N2C(=NC3=C2C=CC(=C3)C(=O)NCC4=CN=CC=C4)C 1 3.972 4 1 -9.58351110349437 4654699 CC1=C(C=CO1)C(=O)N2C(CC(=N2)C3CC3)(C(F)(F)F)O 1 1.783 2 3 0 0.194013555903669 4654599 CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)C(C)C 1 2.784 3 1 -8.39241890806721 4654595 CC(C(C1=CC=CS1)N2CCN(CC2)C)NC(=O)C3=CN=CC=C3 1 1.819 4 1 0 -7.5885690189363 4654549 CCCC(=O)NCCCC1=NC2=CC=CC=C2N1CC 1 2.913 3 1 -16.8155552425826 4654504 CC1=CC(=CC=C1)NC(=S)NCCN(C2CCCCC2)C3CCCC3 1 6.397 3 0 -3.97150971093012 4654499 CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.672 4 6 0 -34.8851154307037 4654427 CCCCCCCCNC(=O)C1=NSN=C1 1 2.982 3 1 -13.4163672514959 4654319 CC(C)CNC(=O)CN1C(=O)C2(CCC3=CC=CC=C32)NC1=O 1 1.509 3 3 0 -11.124926508574 4654304 CC1CCCC(N1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C 1 2.494 2 3 -21.3810236582851 4654038 COCCC1=NN(C(C1)(C(F)(F)F)O)C2=NC3=CC=CC=C3S2 1 2.514 3 2 2.73305511817396 4653997 C1CC1NC2=NN=C(CS2)C3=CC=CC=C3 1 2.637 3 0 -3.91004027616427 4653996 CCOC1=C(C=CC=N1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 3.034 3 4 0 -20.8896980379711 4653584 CC1=CC=C(O1)C(=O)NC2=NC(=C(S2)C(=O)N(C)C)C 1 1.14 3 3 0 -8.24517878046889 4653534 CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCOCC3 1 1.435 5 3 0 -15.3273689532196 4653499 CCN1CCN(CC1)C2=NC=NC3=C2SC4=NC(=C5COC(CC5=C34)(C)C)N6CCCC6 1 3.6 6 1 0 -9.0411038097682 4653419 C1=CSC(=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)C(F)(F)F 1 4.51 3 2 -11.8028386153306 4653399 CN1C=C(C=C1C#N)C(=O)C2=CC(=CC=C2)Cl 1 3.368 2 1 -0.957802685063863 4653365 C1=CC=C2C(=C1)C(OC2=O)NC3=C4C(=CC(=C3)Br)C=CC=N4 1 4.03 2 2 -2.72217684720884 4653242 CC(C)(C)C1=C(C=CC(=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)O 1 6.135 0 2 0.595194704495055 4653205 C1CC2=CC=CC=C2C(=NNS(=O)(=O)C3=CC=CC=C3)C1 1 3.148 2 2 -6.39124359279687 4653198 CCN(C1CCCCC1)C(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])O 1 3.962 3 8 0 -11.7704756745596 4653182 C=CCN(CC1=CC=CO1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.993 1 3 -10.5882384244246 4653181 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 1 3.288 5 3 0 -9.10930584438249 4653125 CCCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC(=C2)OC)OC)C3=CC=CC=C3 1 2.659 3 5 0 -9.86486854047524 4653102 C1=CC=C(C=C1)CN2C=C3C=C(C=CC3=N2)[N+](=O)[O-] 1 3.294 3 2 -3.76748298459007 4653079 C1CCCC(CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O 1 3.566 1 4 -6.50715023159216 4653008 C1CN(CCC12OCCO2)C(=O)C3=CC=CN4C3=NC5=C(C4=O)C=CC(=C5)Cl 1 1.441 3 4 0 -13.7456815897176 4652920 CC1=C(C=[N+](C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=CS4)C 1 4.903 4 2 -5.63571907045049 4652865 CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3N2CCOC)C)C 1 3.348 3 4 0 -14.4946133955531 4652862 CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CCCCC3 1 3.604 3 1 -6.74709053590704 4652861 CC(CN1C=NC2=CC=CC=C21)C(=O)NN=CC3=CC=CC=C3OC 1 2.95 4 2 -7.45780196779168 4652860 CC1=CC(=C(C=C1)NC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-])C 1 4.327 4 4 0 -3.04887954657621 4652816 CC1=CC=C(C=C1)NC2=NN=C(CS2)C3=C(N(C(=C3)C)CC=C)C 1 4.417 4 0 -8.30317005092106 4652722 C1=CC=C(C(=C1)NNC(=O)NC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-] 1 3.768 4 3 0 -3.02155944680104 4652613 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N3CCCCC3)CCOC 1 1.381 3 3 0 -20.3382210127302 4652527 CC1=C(C(=NN1)SCC(=O)N(C)C2=CC=CC=C2)[N+](=O)[O-] 1 2.237 4 3 0 -9.10740350992973 4652522 CC1=C(C(=NN1)SCC(=O)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 2.702 4 3 0 -11.0098239694532 4652521 CC1=C(C(=NN1)SCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-] 1 2.038 4 3 0 -13.6466375648196 4652514 CC1=C(C(=NN1)SCC(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.243 4 3 0 -12.1199456345748 4652513 CC1=C(C(=NN1)SCC(=O)NC2CCCC2)[N+](=O)[O-] 1 1.856 4 3 0 -12.1862535070109 4652472 CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)Cl)C)C 1 3.902 2 2 -15.7241912984686 4652426 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)F)C 1 4.11 3 3 -35.2879222705504 4652385 CC1CCCCN1C(=S)NCCC2=CC=CC=C2 1 4.393 2 0 -10.4469312368991 4652371 CCC(=O)NCCN1C(=CC2=CC=CC=C21)C 1 2.334 2 1 -11.9618851280579 4652258 C1CCC2=C(C1)C(=NC(=N2)C3=CC=CC=C3)SCC(=O)NN 1 2.634 4 1 -4.92324900988561 4652206 CCOC(=O)C1(CCN(CC1)CC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4 1 3.99 2 3 -7.27777473681719 4652205 C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3S2)[N+](=O)[O-])[N+](=O)[O-] 1 2.953 3 5 0 -7.39836556822436e-002 4652198 CCN1C2=CC=CC=C2N=C1C(CC3=CC=CC=C3)NC(=O)COC 1 2.997 3 2 -7.22739115665071 4652095 CC1=C(C=C(C=C1)NC(=O)CCCOC2=CC=C(C=C2)C(=O)C)S(=O)(=O)N(C)C 1 2.362 2 5 0 -17.6068539167407 4652039 CCCCNC(=S)N1CCN(CC1)C2=CC=CC=C2Cl 1 4.816 3 0 -8.88757324389507 4652021 CCCCC(C1=NC2=CC=CC=C2N1)NC(=O)C 1 2.586 3 1 -6.03794827153678 4651959 CC1=C(C(=C(S1)NC(=O)C2C3CCC(C2C(=O)O)O3)C(=O)OC(C)C)C4=CC=C(C=C4)Cl 1 3.52 1 6 0 -8.13586192295433 4651958 COC(=O)C1=CC(=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5 1 2.299 4 3 0 -9.46546687928171 4651877 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.137 4 7 0 -18.0382901493806 4651841 C1CC1NC(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl 1 2.877 1 5 -8.46694627035677 4651826 CCC1=C(C(=CC=C1)CC)NC(=S)N2CC3CC(C2)C4=CC=CC(=O)N4C3 1 4.811 3 1 -11.307926130278 4651821 CCC(C(=O)NC1=NN=C(S1)C2=CC=CC=C2OC)SC3=NCCS3 1 3.886 4 2 -17.9217482162313 4651820 CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)F)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C 1 3.489 6 4 0 -22.5245116289134 4651714 CCOC(=O)C1=C(NC(=O)NC1C)C2=CC=C(C=C2)O 1 1.171 2 4 0 -13.2679688218986 4651696 CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)C(=O)N(C)C 1 1.557 3 2 0 -12.2481191802023 4651694 C1CC1NC(=O)C2=CC=C(O2)CSCC3=CC=CC=C3Cl 1 3.797 1 2 -10.3271551991225 4651693 CN(C)C(=O)N1CCCC(C1)C(=O)NCCC2=CC=CC=C2 1 1.501 3 2 0 -13.9278251326573 4651585 C1=CSC=C1C=C2C(=O)NC(=O)NC2=O 1 0.526 2 3 0 -8.07677457517743 4651575 CC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)C(=O)N(C)C 1 1.987 3 2 0 -13.1130102278777 4651558 CCN(CC)C(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC 1 2.54 3 4 0 -25.6837075456883 4651457 CCCCNC(=O)CNC(=O)C1=CC=CS1 1 1.379 2 2 0 -17.0343010446228 4651361 CC1CCCC(C1C)NC(=O)CNC(=O)C2=CC=CS2 1 2.48 2 2 -15.1244639002123 4651264 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NC3=CC(=CC=C3)F 1 2.52 3 2 -14.5811084491377 4651299 CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC=C 1 2.864 3 3 -21.2349964949163 4651294 CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)OC(=O)C2=C(C(=C(C=C2)OC)OC)OC 1 4.363 1 6 0 -6.21155263636179 4651251 COC1=CC=CC=C1NC(=S)NC2CCC(CC2)CC3CCC(CC3)NC(=S)NC4=CC=CC=C4OC 1 8.384 4 2 -10.6049967184763 4651241 CCC(=O)OCC(=O)NC1=C(C=C(C(=C1)C)C)[N+](=O)[O-] 1 2.191 2 5 0 -9.75646801786806 4651152 COP(=O)(C1=C(OC(=N1)C2=CC=CC3=CC=CC=C32)NCC4=CC=CC=C4)OC 1 3.858 2 4 5.63536678337069 4651124 C1CN(CCC1C(=O)NCC2=CC=CC=N2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 -0.646 4 5 0 -20.6136347620734 4651044 CC(=NNC1=CC(=CC=C1)Cl)C2=CC=NC=C2 1 2.943 3 0 1.79061715101605 4651019 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 2.301 2 5 0 -10.6005673826947 4650942 C1C(N(N=C1C2=CC=CS2)C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=C(C=C5)F)C6=CC=C(C=C6)F 1 4.386 6 2 0 -8.80469243517606 4650893 CCC1=C(C(=CC=C1)CC)NC(=O)COC2=CC=CC=C2C(=O)C3=CN(C(=O)C(=C3)C#N)C4CCCCC4 1 5.448 3 4 0 -15.1900473650984 4650833 CC1=CC=C(C=C1)S(=O)(=O)NC2(C(=O)N(C(=O)N2)C3=CC=CC=C3F)C(F)(F)F 1 3.272 3 4 0 -3.09491800979933 4650819 CCCCC(=O)C1=C(CCCC1=O)NCCC2=C(NC3=CC=CC=C32)C 1 4.004 2 2 -7.73786777476515 4650815 CC1=CC=CC2=C1CC(NC2=C(C#N)C#N)(C)C 1 2.394 3 0 -5.17537274911703 4650766 CCOC(=O)N1CCN(CC1)C(=O)NC23CC4CC(C2)CC(C4)C3 1 1.927 3 3 0 -5.96838542275731 4650693 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNS(=O)(=O)C3=C(C=CC(=C3)Br)Br)C 1 3.402 4 3 0 -8.16942938645794 4650688 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NC3CCCC3)C 1 1.909 1 3 0 1.4206024010351 4650637 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCSC3=CC=CC=C3)OC 1 3.711 2 5 0 -9.0763429184634 4650543 CC1=CC(=C(C=C1NC(=O)COC(=O)CC(C)(C)C)OC)[N+](=O)[O-] 1 2.602 2 6 0 -15.2814514404718 4650542 CC1=CC(=C(C=C1Br)C)SCC(=O)NN=C2CCN(CC2)C(=O)C 1 2.552 3 2 -13.0283052502296 4650487 COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)OC 1 1.895 3 6 0 -18.2212572635222 4650478 COC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C43)F 1 3.572 2 4 -20.5510228302171 4650477 COC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)F 1 3.294 2 4 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CCOCCCNC(=O)C(C1=CC=C(C=C1)C)N2CCOCC2 1 1.553 2 3 0 -15.1488108902832 4644531 CCOCCCNC(=O)C(C1=CC=C(C=C1)C)NC(=O)C2=CC=CC=C2O 1 2.341 2 4 -14.7225073183633 4644530 CCOCCCNC(=O)C(C1=CC=C(C=C1)C)NC(=O)C2=CNC(=O)C=C2 1 0.389 3 4 0 -22.1494778296678 4644483 C1CCC(CC1)C(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-] 1 4.248 3 3 -14.0458453729148 4644479 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3OC 1 1.876 4 5 0 -25.01756440272 4644460 CC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCC4CCCO4 1 3.632 3 3 -26.2785481832504 4644458 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N)CCOC 1 5.2e-002 3 3 0 -17.4502866802374 4644446 C1CC2(CC3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)NC4=C(C=C(C=C4)Cl)F 1 3.085 3 3 -4.5642187211347 4644361 CCOC(=O)C1C(N=C2N(C1C3=CC(=CC=C3)Br)C(=O)CS2)C 1 3.283 2 3 -11.9168055776456 4644349 COC1=CC=CC(=C1)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O 1 3.503 2 4 -12.8411256063539 4644317 CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC(SC2)C(=O)OC 1 1.437 2 4 0 -8.51421718051487 4644286 CC(=NOCC(=O)NC1=CC=CC=C1C(C)(C)C)C2=CC3=C(C=C2)OCCO3 1 3.498 2 4 -8.86349153223608 4644263 C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC(=O)O)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.165 2 5 0 -11.918659325013 4644221 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=CC=C2)F 1 3.866 3 3 -10.4985991065098 4644214 CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=C(C=C1)[N+](=O)[O-] 1 3.897 3 3 -19.8850360497729 4644206 COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)C3=CC(=C(C=C3)OC)OC 1 4.267 2 4 -6.47169254152508 4644163 C1CSC2=NC=C(C(=O)N21)C(=O)NCCC3=CC=C(C=C3)Cl 1 2.216 3 2 -12.4175957969866 4644150 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)CC3=CC=CC4=CC=CC=C43 1 2.765 3 3 -8.47787723514648 4644032 C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)NN)O 1 0.753 4 2 0 3.46251849413076 4644020 COC1=CC(=CC(=C1OC)OC)N2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC(=O)N5C=CC=CC5=N4 1 2.248 4 6 0 -16.2111579600118 4643991 CCC(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)C 1 3.32 4 1 -4.40390939519607 4643764 C1=CC2=C(C=C1NC(=O)C3=CC=C(O3)[N+](=O)[O-])NC(=O)N2 1 0.891 4 5 0 -12.0604628475283 4643420 CCOC1=C(C=CC=N1)C(=O)OCC(=O)N2C(CC3=CC=CC=C32)C 1 2.7 2 4 -15.7130193114331 4643302 CCCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NC(C)C(=O)O 1 2.454 1 4 -16.9312539226389 4643236 COC1=CC=C(C=C1)C2C(C3C=CC4=CC=CC=C4N3C2C(=O)C5=CC=CC=C5)[N+](=O)[O-] 1 5.117 2 4 -1.22066364802366 4643187 CC1=C(N=C2N1C=CC=C2)C(=O)NN 1 -0.209 4 1 0 -7.01118571064418 4643175 C1CCN(CC1)C(=O)CSC2=NN=C(O2)C3COC4=CC=CC=C4O3 1 2.168 3 4 0 -12.7998637107288 4643072 CCC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=C(C(=C(S3)C)C)C(=O)OCC 1 4.847 3 3 -36.0209381285876 4643071 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 1 3.347 3 4 0 -15.4059983733302 4642982 C1CC[N+](CC1)(CCCS(=O)(=O)[O-])CC#CC2=CC=CC=C2 1 -0.722 1 3 0 -7.28180134660478 4642912 CC1=CC(=NC=C1)NC(C2=CC=CC=C2O)C3=C(C(=O)C=C(O3)CO)O 1 1.284 2 5 0 -9.18792724988771e-002 4642631 CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CSC4=NNC(=N4)N 1 2.384 6 1 0 -17.5171545081692 4642573 CN1C(=O)CC(SC1=NC2=CC=C(C=C2)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.35 4 3 0 -2.62146045039394 4642472 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NC(C)CC)C3=CN=CC=C3 1 3.51 4 3 0 -21.6928961853446 4642448 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CNC4=CC=CC=C43)Br 1 3.493 3 3 -2.50810160261939 4642443 CN(C)C1=CC=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br 1 4.845 3 5 0 -21.2924150986047 4642335 CCN(CC)P(=O)(C1=C(N(N=C1C)CCC#N)NC(=O)C2=C(C=C(C=C2)Cl)Cl)NC3=CC=C(C=C3)[N+](=O)[O-] 1 3.674 7 4 0 -6.84954816336767 4642301 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NC(C)C)C3=CN=CC=C3 1 2.986 4 3 0 -21.461468165403 4642300 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NCCCOC)C3=CN=CC=C3 1 2.191 4 4 0 -20.979780790035 4642237 CC1=C(C(=NO1)C)N=NC2=C(C=C(C=C2)Br)C(=O)O 1 3.459 3 3 1.08889185581331 4642224 CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2SCC=C 1 4.889 2 2 -6.89409009977116 4642185 CCOC(=O)NNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C 1 1.417 5 3 0 -16.6258076133887 4642110 C1CCC(CC1)N(CC2=CC=CS2)C(=S)NCC(=O)O 1 3.857 2 2 -13.4235725247136 4642078 CC1CC(NC(=S)N1CC(=O)NCC2=CC=C(C=C2)Cl)(C)C 1 3.342 3 1 -11.9093188474724 4642065 CCCCNC(=O)NNC(=O)C1=CC=CO1 1 0.927 3 3 0 -11.6556563023172 4642015 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.226 4 3 0 -14.6686802309218 4641862 CCC1CCCCN1C2=NC3=C(C(=NN3C4=CC=CC=C42)C)C=O 1 3.381 4 1 -3.93166630031439 4641566 CC(=NNC(=S)NCCOC)C1=CC(=CC=C1)[N+](=O)[O-] 1 1.975 4 3 0 -15.5703010012088 4641538 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54 1 4.813 3 3 -14.7284156616294 4641353 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC4=C(C=C3)C(=O)NC4=O 1 1.214 2 5 0 -6.86394486869667 4641343 CC1=NN=C(S1)NC(=O)CC(C2=CC=CC=C2)NC(=O)C(F)(F)F 1 1.693 4 2 0 -17.9288773868217 4641118 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4CC=CCC4C3=O 1 1.998 3 4 0 -3.0253044643025 4641106 CCC1=CC=C(C=C1)NC(=O)C(=O)NN=C(C)CC(=O)NCC2=CC=C(C=C2)Cl 1 2.835 4 3 0 -12.1977106060055 4641095 CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)OC)C)[N+](=O)[O-] 1 3.785 3 5 0 -7.09859830935498 4641052 CCOC(=O)C1=CC2=NC(=CN=C2C=C1)C3=CC=CC=C3 1 3.445 2 2 1.82076549225452e-002 4641038 CSCCC(C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl 1 4.253 2 6 0 -15.2001573591199 4641020 CC1=NC(=CC=C1)NC(=O)C2=CN=C3N(C2=O)C=CS3 1 0.297 4 2 0 -11.6605640753502 4640851 COC1=CC=CC=C1C2CC(=NN2S(=O)(=O)C3=CC=CC=C3)C4=CC(=CC=C4)NS(=O)(=O)C 1 3.013 3 5 0 -9.19532148293186 4640839 CC1=C(C(=NC2=NC(=NN12)SCC(=O)O)C)CC3=CC=CC=C3Cl 1 3.989 4 2 -15.412806472471 4640830 CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)O)SC4=CC=CC=C4C2=O 1 4.808 1 3 2.13805970362394 4640755 CCOC1=CC=C(C=C1)NC2=CC(=O)CCC2 1 2.578 1 2 -8.01452390701173 4640708 CCOC(=O)C=C1C(=O)N(C(=C(C#N)C(=O)NC)S1)C2=CC=CC=C2 1 1.695 3 4 0 -9.74041782123957 4640617 CCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)C 1 5.035 3 3 -4.35376910949204 4640618 CC1CN(CC(O1)C)C(=O)NC(C2=CC(=C(C=C2)C)F)C(Cl)Cl 1 3.431 2 2 -7.55584031095395 4640649 CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC(=NN42)CCC5=C(NN=C5C)C)F 1 4.708 7 1 0 -11.4073128358786 4640398 COC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=CC=CC=C3F 1 3.071 3 2 -0.619101024179183 4640388 CC(=NNC(=O)CNC(=O)C1=CC(=CC=C1)F)C2=CC3=CC=CC=C3C=C2 1 2.837 3 2 -9.09382516131393 4640358 COC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.193 2 8 0 -25.865871513203 4640348 CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)N4CCC(CC4)C(=O)OCC 1 2.568 2 8 0 -22.0181090047077 4640338 CCOC(=O)C1=C(NC(=C(C1C(=O)OCC(=O)N)C(=O)OCC)C)C 1 -0.451 2 7 0 -17.2064665434458 4640233 CCC(C)NS(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NC2=C(C=C(C=C2Br)F)F 1 4.14 2 3 -13.0608036007193 4640186 C1COCCOCCOCCOCCN1C(=O)CCNC(=O)OCC2=CC=CC=C2 1 0.409 2 7 0 -14.4056807096519 4640068 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=CC(=C4)OC)OC)F)C(=O)O 1 3.925 4 6 0 -13.4632117242919 4640052 CN(C)CCNC=C(C(=O)NC1=C(C=C(C=C1)Cl)Cl)C(=O)NC2=C(C=C(C=C2)Cl)Cl 1 4.11 4 2 -1.49266566038339 4640016 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br 1 4.507 1 3 -9.73825493151021 4639971 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N(CC=C)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 5.306 3 2 -5.01783389381139 4639924 CC12C(C(N3N1CCC3)C4=CC=CC=C4)C(=O)N(C2=O)C5=CC=CC=C5 1 1.863 3 2 0 3.08084774773372 4639876 COC1=CC=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2C4=CC(=CC=C4)[N+](=O)[O-])OC)OC 1 4.359 2 6 0 -20.154065994678 4639757 CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NC3=CC=CC(=C3)C(=O)C)CC(C)O 1 3.424 1 6 0 -12.2888039163404 4639682 CCN(CC)C1=C(C(=O)N2C=CC=C(C2=N1)C)C=C3C(=O)NC(=O)NC3=O 1 0.648 5 4 0 -14.9839292759886 4639659 CC1CC2=CC(=CC(=C2N1C(=O)C)S(=O)(=O)N3CCCCC3)Br 1 2.391 2 3 -15.9675622084309 4639629 C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)NC4=CC=CC=C4F 1 4.002 2 2 -5.01750407361256 4639624 COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl 1 4.958 3 4 0 -6.92664963062709 4639593 COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-] 1 3.074 3 6 0 -18.6132155909306 4639586 C1=CN(C=N1)CCCNC2=NC=NC3=C2NC=N3 1 -0.559 7 0 0 0.713329321287647 4639573 C1CC(=O)N(C1C(=O)N2CCOCC2)CC3=CC=CS3 1 0.247 2 3 0 -14.2899658357704 4639571 CC1(CC2=C(C(C(=C(N2C3=CN=CC=C3)N)C#N)C4=CC=CS4)C(=O)C1)C 1 2.658 4 1 -22.6910657000686 4639536 CC1=NN2C(=C(C=NC2=C1C3=CC=CC=C3)C4=CC=CC=C4)N 1 3.214 4 0 -2.85420840442913 4639534 CC1CC(=CC(C1C=NN2C(=O)C3=C(C4=C(N3)C=C(C=C4)OC)NC2=O)C)C 1 3.844 4 3 0 -5.77307813504681 4639493 COC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3 1 2.555 4 4 0 -4.64951404598549 4639422 C1CC(C2=CC=CC=C2C1)NC(=O)CSC(CC(=O)O)C(=O)O 1 1.8 1 5 0 -16.1487060445647 4639331 CCOC(=O)C(C)C1=C(NC(=S)NC1=O)C 1 1.257 2 3 0 -15.79235743159 4639272 COCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3 1 2.265 4 4 0 -26.1002758131438 4639270 CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N 1 3.434 2 3 -13.1595293170634 4639178 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3 1 3.241 4 2 -12.1908773509276 4639145 CC=NNC(=O)C1=C(C=CC(=C1)Br)O 1 1.417 2 2 0 0.906569964444911 4639144 C1=CC(=CC=C1S(=O)(=O)CCC(=O)NC2=C(C=CC(=C2)F)F)Br 1 3.399 1 3 -11.127905045759 4639131 CCCSC1=CC(=O)N(N=C1C(=O)O)C2=CC=CC=C2 1 2.45 2 3 -7.77992956394538 4639127 C1=CC=C(C(=C1)NNC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.645 4 3 0 -3.92977111454921 4639110 CC(=O)N1CCN=C1SCC2=CC=CC=C2 1 2.227 2 1 -11.2338207139217 4639063 CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=CC=C(C=C2)OC 1 2.622 2 4 -12.6421314075595 4639059 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCNS(=O)(=O)C3=CC=C(S3)Br 1 1.755 2 5 0 -18.1541074042044 4639001 CC1CN(CC(O1)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl 1 2.838 2 4 -11.8470627374407 4639013 CS(=O)C1=CC=CC=C1COC(=O)NC2=CC=CC=C2 1 2.607 1 3 8.2220013468828e-002 4639012 CCC1=C(C(=C(C(=N1)N)C#N)C2=CC=C(C=C2)F)C 1 3.51 3 0 -1.1747794172262 4639010 C1=CC=C(C=C1)C2=CC3=C(O2)N=CN=C3OC4=CC=CC=C4 1 4.463 2 2 7.48501543121965 4639003 COC1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC(=CC=C3)Cl)CC4=CC=CO4 1 4.521 3 4 0 -5.72150951162371 4638266 C1COCCN1C(=O)C2CC(CN2S(=O)(=O)C3=CC=C(C=C3)Cl)Cl 1 1.275 2 4 0 -12.9148075527871 4638263 CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=CC=C4 1 4.474 2 6 0 -27.6571737617838 4638262 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3CCCC3 1 1.932 3 4 0 -9.83398625213717 4638239 CCOC1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=COCCO3 1 0.701 3 5 0 -7.3254331627565 4638138 CN1C(=O)C(N(C1=S)NC(=O)C2=CC=C(C=C2)Cl)CC(=O)N 1 1.009 4 3 0 -8.94123182432105 4638117 CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 3.172 1 6 0 -22.6519105176202 4638073 CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)C3=CC(=CC(=C3)C)C)N=O 1 1.958 4 5 0 -8.8343057067808 4638058 CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=NN3C4CCCCC4 1 3.735 6 1 0 -17.1549253052501 4638037 COC1=C(C(=NC=N1)OC)S(=O)(=O)NCC2=CC=CC=C2 1 1.591 3 4 0 -3.78197004510372 4638016 C1C(C(=NN1)C(=O)C2CO2)C3=CC=C(C=C3)Cl 1 1.324 2 2 0 -3.65893613911559 4637880 CCOC(=O)C1C(C(=C(CC1(C)O)NC2=CC=CC=C2)C(=O)OCC)C3=CC=C(C=C3)Cl 1 4.098 1 5 -10.6278985037038 4637858 CC1CCCCC1NC(=O)COC(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C 1 3.372 2 5 0 -22.411154536377 4637703 CC1CCN(CC1)C(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 2.448 2 3 -13.1808378728072 4637698 C1=CC(=C(C=C1C(F)(F)F)NNC(=O)C2=CNC(=O)C=C2)Cl 1 2.05 3 2 -2.79245372500465 4637490 COC1=CC=CC=C1NC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC 1 2.217 2 6 0 -11.8814534433021 4637487 COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(C=C2)N3CCCC3=O)OC 1 2.198 2 6 0 -26.3793655728428 4637444 C1=CC=C(C=C1)C([N+]2=CC=CC=C2)S(=O)(=O)[O-] 1 0.377 1 3 0 -3.90636999527315 4637442 CC(C1=CC=C(C=C1)F)NC2=NCCC2 1 2.056 2 0 -2.8846646291774 4637425 C1C(ON=C1C2=CN=CC=C2)C(=O)NNC(=O)NC3=CC(=CC=C3)F 1 0.602 5 3 0 -5.60263991103856 4637398 COC1=CC=CC(=C1)C2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2 1 4.103 2 2 -13.4737401595708 4637348 C1CN(NC1=O)CC2=CC=CC=C2 1 0.605 2 1 0 -2.70246804561659 4637342 C1=CN(C(=C1)C(=O)N)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.995 3 1 1.60522034971774 4637275 CC1=CC=C(C=C1)NC(=O)CC(C)N2CCCC2 1 2.529 2 1 -6.79698545959507 4637250 CC(C)CC1C(=O)N(C(=O)N1)CC(=O)NC2CCCC3=CC=CC=C23 1 2.42 3 3 -14.6137004482982 4637244 C1COCCN1CC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=CC=C4 1 3.158 3 1 4.29866289761925e-002 4637242 CC(C(=O)NC1=CC=CC=C1C(=O)O)N2C3=CC=CC=C3N=C2C(F)(F)F 1 3.65 3 3 -7.42925485936995 4637238 CC1=CC=C(C=C1)N2C(=C(C=N2)Cl)C(=O)NCC=C 1 3.323 3 1 -7.69327504371329 4637226 COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)NC(=O)C4=CC=CO4 1 2.331 3 6 0 -10.7103624199707 4637224 CC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC(=CC=C3)Cl 1 4.872 2 4 -4.53286135151214 4637222 CC(=O)N(CCCNC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2 1 1.947 2 3 0 -10.7195104844942 4637210 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NN=C(S2)N 1 2.144 5 3 0 -14.6134286710441 4637199 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=C(N=CC=C3)Cl 1 1.513 3 6 0 -22.9489444272311 4637181 CCCCNC1=CC(=O)N(C(=O)N1)C 1 0.735 3 2 0 -6.09949615639222 4637102 CC1=CC2=C(C(=C1C)NS(=O)(=O)C3=CC=C(C=C3)Cl)N=CN2CC4=CC(=CC=C4)OC 1 5.243 3 3 -2.49708859471099 4637026 COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O 1 1.969 2 7 0 -22.4286714956912 4637025 CCOC(=O)C1=C(SC=C1CC(C)C)N=CC2C(=O)CC(CC2=O)(C)C 1 3.877 1 4 -6.34471745974694 4637013 C1CCC(CC1)NC(=S)N2CCOCCOCCN(CCOCCOCC2)C(=S)NC3CCCCC3 1 5.217 4 4 0 -12.8197285728793 4637008 CC(C)CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)C(C)C)O 1 5.406 1 3 -6.65074352525239 4637001 C=CCNC(=S)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CO3 1 1.766 4 3 0 -28.5356518021381 4636996 CCC1CCCC1=NNC(=O)CCC(=O)NC2=CC=CC=C2Cl 1 2.871 3 2 -9.60645107315195 4636986 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4CCOCC4)C(=O)NCCN5CCOCC5 1 -0.585 7 4 0 -26.4651017191072 4636977 C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 2.306 5 3 0 -16.3036798971426 4636896 CC1CC1C(=O)NN2C(=NC3=CC=CC=C3C2=O)C 1 1.214 3 2 0 -9.14699587662915 4636847 C1C(SC(=NC1=O)NN=CC2=CC=CO2)C(=O)NC3=CC=CC=C3 1 2.366 4 3 0 -7.08655677715069 4635905 CC1=CC(=CC=C1)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.087 3 5 0 -9.41288574945021 4635387 COC1=C(C=CC(=C1)C=NNC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=CC=C3F 1 4.964 3 5 0 -9.09347593567471 4635383 CC1=NC=C(N=C1)C(=O)OCC(=O)NC(C)CCC2=CC=CC=C2 1 1.893 3 3 0 -18.1739567218157 4634206 CCOC1=CC=CC=C1OCC(=O)NNC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 -3.9e-002 6 6 0 -26.0418493523638 4632085 CC1(C2(CCC1(OC2=O)C(=O)NNC(=O)C3=CC=C(C=C3)Br)C)C 1 2.533 2 4 -11.3417479097814 4631377 COC1=CC=CC=C1OCC(=O)NN=C(CC2=CC=CC=C2)CC3=CC=CC=C3 1 4.207 2 3 -9.11718416142904 4629511 CC(=NNC(=O)OC)C1=C(C=C(C=C1)OC(F)F)OC(F)F 1 3.253 2 4 -5.91093183620146 4626545 C1C(ON=C1C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)Br 1 3.891 1 3 -4.14705072285228 4626531 CC(=NNC(=S)NC)C1=CC=C(C=C1)C(C)(C)C 1 3.612 3 0 -5.98651874619167 4626530 C1CC(CC=C1)C=NNC(=O)COC2=CC=C(C=C2)C#N 1 2.307 3 2 -7.12307982091217 4626501 CCN1C(=C(C2=CC=CC=C21)C=NNC3=NC4=CC=CC=C4S3)C 1 4.43 4 0 3.8374287473174 4626480 CC1C(=O)N(C(=O)C(S1)C)CC(=O)NC2=CC=CC=C2OC 1 1.119 2 4 0 -10.8082834045524 4626420 COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4)OC 1 3.103 3 7 0 -22.5557369482322 4626419 C1CCC(=CC1)CCN2C(=O)C(SC2=NC3=CC=C(C=C3)OC(F)F)CC(=O)NC4=CC=CC=C4F 1 6.446 3 3 -9.73360194241597 4626415 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC4=CC=CC=C4OC3=O 1 2.842 2 7 0 -26.7274805769914 4626413 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 2.019 2 5 0 -14.9964720355681 4626397 CCN(CC1=CC=NC=C1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 2.702 2 4 -7.99424676211058 4626375 CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3 1 2.751 5 1 -12.9648357351412 4626353 CC(C(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)OC)OC4=CC=CC=C4 1 2.77 3 5 0 -8.36723612359266 4626342 CCS(=O)(=O)N1CCC(CC1)C2=NC3=CC=CC=C3N2 1 1.631 3 2 0 -14.7625761053027 4626328 C1=CSC(=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=C(C=C(C=C3)F)F 1 2.273 4 3 0 -22.3053677206046 4626319 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NCCN3C=CC4=CC=CC=C43 1 3.929 2 2 -11.4038292935127 4626285 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2Br 1 3.454 1 3 -13.0164962071747 4626281 CCN(C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(C)C 1 3.137 3 5 0 -26.0148469085559 4626278 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Cl)S(=O)(=O)N4CCOCC4 1 2.638 3 6 0 -15.9230834005142 4626258 CC1=C(C=C(C=C1)NC2=NC(=O)C(S2)CC(=O)NCC3=CC=CC=C3)C 1 3.881 3 2 -16.6925531796059 4626256 C1=CC(=CC=C1C(=O)NC(C(F)(F)F)(C(F)(F)F)NNC2=CC=C(C=C2)[N+](=O)[O-])Cl 1 4.92 4 3 0 -5.95442694486808 4626253 C1=CC=C(C=C1)OCC2=CSC(=N2)NC(=O)C3=CC=CC=C3F 1 3.599 2 2 -7.2857893922252 4626209 CNCC1=CN2C=C(C=CC2=N1)Cl 1 0.987 3 0 0 -3.27054969279822 4626176 COC1=CC=CC=C1CNCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl 1 3.142 3 4 0 -17.378560036112 4626153 CC1CC(CN(C1)C2=C(C=C3C(=C2)C(=O)N(C3=O)C4=CC=CC=C4)[N+](=O)[O-])C 1 4.051 3 4 0 -9.93767649080145 4626085 CC1=NN(C(=C1C=NN2CCN(CC2)C3=CC=C(C=C3)Cl)Cl)C4=CC=CC=C4 1 4.825 5 0 7.06535045622179 4626076 CC(=NNC1=NC(=O)CC(S1)C(=O)O)C2=CC=C(C=C2)F 1 2.002 3 3 -9.02333919928456 4626060 CC1=CC=C(C=C1)C(=O)CCS(=O)(=O)C2=CC=C(C=C2)F 1 3.551 0 3 -7.37925962670905 4626005 C1CC(OC1)CNC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 0.998 2 6 0 -20.9366998505775 4625974 C1=CC(=CC=C1C(=O)NN2C=NN=C2)OC(C(C(F)(F)F)F)(F)F 1 2.637 4 2 -6.98095904484008 4625935 CC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3 1 3.795 2 2 -3.14315795216803 4625913 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3C(=CC(=N3)C)C)NN=CC4=CC(=C(C(=C4)OC)OC)OC 1 4.494 8 3 0 -8.96467710941323 4625864 CC1=NC(=C(N1)[N+](=O)[O-])SCC(=O)C2=CC=CC=C2 1 2.333 3 3 -7.03899913609228 4625817 CCC(CC)C(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)Br 1 4.371 2 2 -16.9957598153673 4625749 CCCCCCCC1=NC2=C(O1)C3=CC=CC=C3N(C2=O)C 1 4.334 2 2 -0.332745589011946 4625742 CC(C)CCNC(=O)CSC1=NC(=O)C2=C(N1)N(C(=S)S2)C3=C(C=CC(=C3)Cl)OC 1 5.498 4 3 0 -22.3887154502003 4625720 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 4.391 3 5 0 -10.4582648907736 4625510 CC1=CC=C(C=C1)C(C(CN2C=NC=N2)C(=O)C3=CC=CC=C3)SC4=CC=CC=C4 1 5.5 3 1 -6.44915222737189 4625483 CC(C(=O)O)NC(=O)COC1=CC=C(C=C1)OC2=CC=CC=C2 1 2.399 1 5 -9.34351031280651 4625387 C1=CC=C2C(=C1)C=CN2CCNS(=O)(=O)C3=CC=C(C=C3)F 1 3.094 2 2 -8.68514808097999 4625348 COC1=CC=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S 1 3.01 3 3 -10.7085219744336 4625345 CC1CCN(CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4Cl 1 4.907 4 2 -21.7727135417303 4625332 CC1(C2(CCC1(C2Br)C(=O)NC3=CC=CC4=CC=CC=C43)C)C 1 4.416 1 1 -4.47369094847803 4625326 CC1=CC=CC=C1OCC2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 4.204 3 3 -2.16809529376401 4625323 CCCC1=CC=C(C=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 5.117 3 3 -0.956793911804653 4625261 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CS3)C(=O)C4=CC5=C(C=C4)OCO5 1 5.181 2 4 -19.5469172595877 4625259 CCOC(=O)NN=CC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)OCO3 1 3.211 2 6 0 -14.1183605966751 4625223 CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C 1 2.585 5 5 0 -34.602488363804 4625205 COC1=CC=CC=C1CNC(=O)CSC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3OC)[N+](=O)[O-] 1 3.661 3 6 0 -23.2554292907079 4625141 CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)OC)NC(=O)C3=CC4=CC=CC=C4C=C3OC)C 1 4.217 2 4 -20.6337364398169 4625066 CC(=NNC(=O)C(=O)N)C1=CC2=C(C=C1)OCCO2 1 -6.7e-002 3 4 0 -9.22128992672603 4625016 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 2.276 4 4 0 -22.8370604036957 4624993 CCC1=C(N=C(S1)N2C(=O)C3C4CCC(C3C2=O)C4=C(C)C)C5=CC=CC=C5 1 4.792 2 2 0.562576847592494 4624959 CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4CCCC4 1 4.194 3 2 -14.3378678261523 4624932 CCCCC(=O)NC1=NN=C(O1)C2=COCCO2 1 0.284 3 4 0 -9.80125828693835 4624884 CC1=CC=C(C=C1)NC2=CC(=O)CC(C2)C3=CC=CC=C3 1 4.016 1 1 -7.7440503335272 4624851 CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 3.537 6 3 0 -21.052405690147 4624846 CCC(C1=CC=CC=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 4.271 3 3 -21.8739544450099 4624838 COC1=CC(=C(C=C1)N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3)OC 1 1.983 3 5 0 -20.9537230690882 4624729 CC1=CC=CC=C1N2C(=O)C=C(NC2=O)N3CCCCCC3 1 3.378 3 2 -3.58119261961844 4624678 C1CCCC(CC1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.355 2 6 0 -28.3857935917832 4624396 CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O 1 3.051 3 4 0 -10.1458536181512 4624343 CCOC(=O)COC1=C(C=C(C(=C1)Br)C=NNC2=CC=CC=C2)OC 1 4.22 2 4 -10.4748008271945 4624300 C1CCC(CC1)NC(=O)NC2=CC(=C(C=C2)N)[N+](=O)[O-] 1 1.952 4 3 0 -7.03414057774082 4624246 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2=CN3C=CC=CC3=N2)C 1 2.738 3 2 -5.72204379456201 4624207 C1=CC=C2C(=C1)C(=CN(C2=O)NC(=O)C3=NC=CN=C3)C(=O)NC4=C(C=C(C=C4)F)F 1 1.049 5 3 0 -13.108872549721 4624202 C1CCC2=C(C1)N=C(S2)NN=CC3=CC=CC=C3Cl 1 3.863 3 0 0.115358403516168 4624180 CCN1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=CC=C3Cl 1 4.985 4 1 -7.18660709631243 4624028 C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)C4=NC=CS4 1 1.758 2 2 0 -1.88657016267428 4624023 CC1(CC1(Br)Br)C(=O)N2CCOCC2 1 1.102 1 2 0 -5.15525306748252 4623948 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 2.752 4 4 0 -26.743487994337 4623945 CSC1=NN=C(S1)NC(=O)C2CCCCC2 1 2.634 3 1 -7.37754680483875 4623898 C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CC3=C(C=CC=C3Cl)Cl 1 3.972 1 3 -13.6525983193644 4623844 CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CC3=CC=C(C=C3)OC)C 1 2.999 3 4 0 -16.2810787350924 4623637 COC1=C(C=C(C=C1)NC(=S)NCC=C)S(=O)(=O)N2CCOCC2 1 1.917 3 4 0 -25.9546279722549 4623510 CCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=C(C=CS3)C 1 2.259 8 2 0 -24.2418972375665 4623509 CCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CS3 1 1.772 8 2 0 -26.0108312423754 4623508 CCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CO3 1 1.214 8 3 0 -25.0107761869184 4623507 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5)C 1 4.947 5 1 -1.54630238802623 4623438 CCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)F)OC 1 3.575 8 4 0 -28.0088950955428 4623334 C1COCCN1CCCNC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3 1 4.249 3 1 -12.1985216747424 4623229 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4 1 3.712 2 5 0 -23.813289729193 4623219 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1 3.855 2 5 0 -7.03621688634874 4622087 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 2.092 2 6 0 -28.0369591242877 4622025 COC1=C(C=C(C=C1)C2=NN(C=C2C=NNC3=CC(=C(C=C3)Cl)C(=O)O)C4=CC=CC=C4)OC 1 5.883 4 4 0 5.24515133998404 4621959 CC(=NNC(=O)C1=C(C=NN1C)Cl)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.017 5 3 0 -11.0306187627925 4621948 CC1CCCCC1NC(=O)C2=CC3=C(N2C)N=C4C(=CC=CN4C3=O)C 1 2.885 4 2 -18.8722197632086 4621937 C1COCCN1C2=CC(=O)N(C(=O)N2)CC3=CC=C(C=C3)F 1 1.419 3 3 0 -3.08451955912973 4621935 COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C3=NC4=CC=CC=C4N3 1 3.19 3 2 -2.97022444873858 4621932 CN1C2=CC=CC=C2N=C1C3CC(=O)N(C3)CC4=CC=CC=C4 1 2.755 3 1 -6.59061002421856 4621906 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)NCCC4=CCCCC4 1 3.035 4 2 -18.6232079115074 4621904 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)NC4CCCC4 1 2.109 4 2 -15.9996498121649 4621903 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)NCCCN4CCOCC4 1 0.596 5 3 0 -18.3205888613413 4621901 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)NCCN4CCOCC4 1 0.533 5 3 0 -18.1278014228258 4621896 CCOCCCNC(=O)C1=CC2=C(N1C)N=C3C(=CC=CN3C2=O)C 1 0.987 4 3 0 -21.0849447264202 4621871 CC1=CC(=NO1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC(=C(C=C3)OC)OC 1 1.014 5 6 0 -35.5359797434249 4621856 CC12CC(C3=CC=CC=C3O1)NC(=O)N2C4=CC=C(C=C4)OC 1 2.763 2 3 -3.85942624389381 4621851 C1=CC=C2C(=C1)C(=O)C(=C(O2)O)CC(=O)C3=CC=C(C=C3)F 1 3.432 0 4 0.66326808396182 4621789 CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)CC(C)C)C(C)(C)C 1 4.063 2 4 -11.385186427692 4621635 CC1=CC(=NC2=NC(=C(N12)Br)CN3CC4CC(C3)C5=CC=CC(=O)N5C4)C 1 1.9 5 1 0 1.33015906891169 4621625 C1C2=C(N(N=C2CS1(=O)=O)C3=CC(=CC=C3)Cl)NC(=O)C4=CC=CS4 1 3.084 3 3 -2.57025022040645 4621430 C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O 1 3.828 1 4 -4.53858579603355 4621417 CCC1=CC=C(C=C1)N(CC(=O)NC2CCCC2)S(=O)(=O)C3=C(ON=C3C)C 1 2.81 3 4 0 -16.4133232553901 4621416 CCC1=CC=C(C=C1)N(CC(=O)NC2=NC3=C(S2)C=C(C=C3)C)S(=O)(=O)C4=C(ON=C4C)C 1 4.096 4 4 0 -10.9562175175153 4621413 CCC1=CC=C(C=C1)N(CC(=O)NC2CCCCC2)S(=O)(=O)C3=C(ON=C3C)C 1 3.266 3 4 0 -16.7677917695582 4621412 CC1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C 1 2.541 3 5 0 -8.76046910271987 4621398 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCC3 1 3.566 2 6 0 -31.9994271053071 4621376 CCCCOC1=CC=C(C=C1)C(=O)OC2=CN=CC=C2 1 3.423 1 3 -7.60208667180457 4621229 CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC=CO2 1 1.424 4 5 0 -7.57094985303495 4621225 CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)OC2)C 1 1.69 1 4 0 -26.6877546345039 4621196 CCN1C(=NC2=C1C=CC(=C2)C(=O)NN=C(C)C3=CC=C(C=C3)N4CCOCC4)C 1 2.844 5 2 0 -8.48716226275234 4621176 CC(C(=O)N)N1C(=O)C2(CCCC3=CC=CC=C32)NC1=O 1 1.052 3 3 0 -4.30083283683501 4621115 CCC1=CC=C(S1)C(=NNC(=O)C(C2=CC=CC=C2)O)C 1 2.812 2 2 -11.6043017122409 4621090 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)COC4=CC=C(C=C4)Cl 1 3.484 5 2 0 -9.84832180943077 4621000 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC 1 3.223 3 6 0 -19.4780749027144 4620915 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4 1 4.467 4 3 0 -12.2090608636983 4620899 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4 1 2.008 3 4 0 -26.0902730323814 4620841 C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC=NC=C2 1 2.036 3 1 -7.94512235700876e-002 4620666 CC1=C(SC(=N1)NC(=O)C2CCCCC2C(=O)O)C 1 1.686 2 3 0 -5.5234241424629 4620655 CCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)C3=CC=CC=C3)OC 1 4.741 2 3 -27.8735896249171 4620637 CC1=NN=C(S1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC(=C(C=C3)OC)OC 1 0.61 6 5 0 -32.5972278038892 4620625 C1COCCN1CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)Cl 1 1.51 9 3 0 -23.9286839505264 4620576 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CO3)N4CCCCC4 1 3.56 3 5 0 -4.22759715008387 4620544 C1COCCN1C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=C(C=C(C=C5)Cl)Cl 1 4.453 2 5 0 -2.1621093472254 4620525 COC1=CC(=CC(=C1OC)OC)C2CC3=NC(=NC=C3C(=O)C2)N4CCC5=CC=CC=C54 1 3.529 3 4 0 -16.3812852563792 4620464 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=C(C=CC(=C2Cl)Cl)Cl 1 2.246 1 5 -17.2316895240701 4620378 CC1C2CC(C1(C)C)CC2=NNC(=O)C3=CC=CS3 1 2.958 2 1 -5.91960268479446 4620351 C1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)NC3=C4CSCC4=NN3C5=CC=CC=C5 1 2.643 4 3 0 -11.9254175321151 4620320 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CN=C(C=C3)Cl 1 2.743 3 5 0 -24.2641283981423 4620317 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)N4CCCCC4 1 4.073 4 4 0 -7.60439763624024 4620308 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCC5=CC=CC=C54 1 4.273 5 3 0 -29.4435038482755 4620224 COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)COC3=CC=CC=C3 1 0.945 2 8 0 -30.3215120006198 4620191 C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4 1 1.591 6 3 0 -24.959146939326 4620189 CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C(SC(C2=O)C)C 1 1.468 2 4 0 -8.45575801784929 4620181 CCC(C)NC(=O)CCN1C(=C(C=C1C2=CC=CC=C2)C(=O)OCC)C 1 3.847 2 3 -17.8621780107562 4620052 C1CCC(C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.35 3 3 -17.2723250979384 4620051 CC(C)(C)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 1.879 3 3 0 -20.8061939770136 4620047 COC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.508 3 4 0 -12.5991062059481 4619852 CCN(C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N2C4=CC=CC=C4)C(C)C 1 5.333 4 3 0 -11.9769034319019 4619776 CC1=CC=CC=C1OC2C(N(C2=O)CCC3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5 1 4.788 1 5 -1.77948939050367 4619762 CC1(CC(=O)CC(O1)C2(C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)O)C 1 2.164 1 4 -1.57404583895534 4619761 CCCCOC(=O)C(C)OC1=NN(C(=O)C=C1)C2=CC=CC=C2 1 3.201 2 4 -10.3287571429652 4619755 CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)NCCCN4CCOCC4)C(=O)CC(C3)(C)C 1 2.027 3 4 0 -23.2072789994291 4619689 CC(C)C(C(=O)NC1CCCC2=CC=CC=C12)NC(=O)C3=CC=CC=C3 1 4.024 2 2 -18.4717664660154 4619685 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)CC3=CC=CC=C3F 1 2.519 3 4 0 -20.715975359607 4619681 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CC1=CC=CC=C1OCC2=NC(=NO2)C3=CC=C(C=C3)N4C=CC=C4 1 4.342 3 2 4.35689345413232 4613971 COC1=CC=C(C=C1)CCC2=NC(=NO2)C3=CC=C(C=C3)N4C=CC=C4 1 4.496 3 2 2.46204806879056 4613970 COC1=C(C=C(C=C1)CC2=NC(=NO2)C3=CC=C(C=C3)N4C=CC=C4)OC 1 4.023 3 3 -1.71568685968469 4613957 CC1CC(CN(C1)CCCNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4)C 1 2.234 4 4 0 -32.6105025111539 4613942 CCOC(=O)N1CCC(CC1)NC(=O)CCC(=O)N2CCOC3=C2C=C(C=C3)Cl 1 1.408 3 5 0 -14.5930940014894 4613858 CC1=C(SC2=C1C(=O)N(C(=S)N2)N)C(=O)OC 1 1.863 3 3 0 -11.8009405453365 4613804 CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3C#N)N)C(=O)OC 1 3.42 4 3 0 -25.6062699416576 4613736 CCC1=CC=C(C=C1)NC(=O)N(CC2=CC=CO2)C(C)C3=CC=CS3 1 4.667 2 2 -2.76948591182696 4613734 C1=CC=C(C=C1)CCNC(=O)CCS(=O)(=O)CC2=CC=C(C=C2)Cl 1 3.239 1 3 -13.3445413698619 4613619 CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)Br)S2)CC#C 1 4.647 3 2 -12.5031582267321 4613548 CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CC3=CC=CC=C3 1 1.8 3 2 0 -21.2778618168258 4613505 CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCC3 1 1.953 2 3 0 -4.68162474763248 4613462 CC(C)C(=O)NC1=C(C2=C(S1)CCCCC2)C#N 1 3.584 2 1 -21.7840901390453 4613354 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(=O)NC3CCCC4=CC=CC=C34 1 4.759 3 1 -1.43329067906178 4613329 C1COCCN1C2=CC=C(C=C2)C=NNC(=O)C3COC4=CC=CC=C4O3 1 2.306 3 4 0 -4.27506818258272 4613311 CC1=C(C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)CCN4C(=O)OC(C4(C)O)(C)C 1 4.134 2 4 -0.494142960648299 4613247 COC1=CC=C(C=C1)CC(=O)NCC2=NNC(=S)N2C3=CC(=CC=C3)Cl 1 3.421 4 2 -9.4014422719374 4613152 CC(=NNC(=O)C(C1=CC=CC=C1)O)C2=CC=C(S2)Cl 1 2.458 2 2 -6.90979194535526 4613023 C1=CC=C(C=C1)CNC(=O)CNS(=O)(=O)C2=CC=CS2 1 1.17 2 3 0 -17.3731483657789 4612996 C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4CCCCC4C3=O 1 2.787 2 3 -8.34868994667477 4612918 CC1=C(C(=NO1)C)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3 1 2.705 1 4 -9.05754931983983 4612901 CC1=CC(=NO1)NC(=O)CSC2=NC=CN2C3=CC(=CC=C3)OC 1 2.341 4 3 0 -15.8125756538838 4612898 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4CCOCC4)C(=O)NCC5=CC6=C(C=C5)OCO6 1 0.941 6 5 0 -27.0580180186358 4612819 C1=CSC(=C1)S(=O)(=O)NCC(=O)NCC2=CC=C(C=C2)F 1 1.376 2 3 0 -15.7490622090093 4612815 COC1=CC=C(C=C1)CNC(=O)CNS(=O)(=O)C2=CC=CS2 1 1.154 2 4 0 -16.8739054436187 4612647 COC1=C(C=CC=C1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-] 1 4.855 1 4 -6.14084796345942 4612600 CC1CCCC(N1C(=O)COC2=C(C=C(C=C2)C=NNC3=CC(=C(C=C3)Cl)C(=O)O)OC)C 1 4.648 3 5 0 -13.9736964316204 4612470 CN1C=CN=C1SCC(=O)NC2=C(C=CC(=C2)F)F 1 2.053 3 1 -7.93341674316591 4612415 CC(=O)N1CCN=C1SCC2=C(C=CC=C2Cl)F 1 3.097 2 1 -12.3765535477646 4612338 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3CCCO3)N4CCCC4 1 2.377 3 5 0 -12.37886808397 4612292 CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O 1 3.099 2 4 -3.5493939081419 4612148 C1CC1N2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N 1 3.391 4 2 -12.2153178168916 4612119 CC1=C(C=C(C=C1)S(=O)(=O)NN=C(C)CC(C)C)[N+](=O)[O-] 1 2.448 3 4 0 -9.85605558285472 4612092 CC1=CSC2=NC=C(C(=O)N12)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 1.435 3 4 0 -17.961885627803 4612087 C1CN(C(=N1)SCC2=CC=CC=C2)C(=O)C3=C(C=CC=C3F)F 1 4.303 2 1 -11.873510849145 4611967 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.191 3 5 0 -19.1256322244472 4611954 CCC(C)NCCC(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=CC=C(C=C2)Cl 1 3.735 3 3 -8.99030211778925 4611921 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 1.833 2 6 0 -23.8274963161533 4611889 CC1=CC(=C(C2=CC(=C(C=C2)O)C)C3=CC=CC=C3S(=O)(=O)[O-])C=CC1=O.[Na+] Na+ 1 2.015 0 5 1.83416430963865 4611888 C1=CC(=CC=C1CN2C=[N+](C=N2)[N-][N+](=O)[O-])Cl 1 4.809 5 2 0 -1.18180472840146 4611851 C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1C(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 3.91 2 2 -17.2703205755597 4611836 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NNC(=O)C3=CC=C(O3)COC4=CC=CC=C4 1 3.138 3 6 0 -10.1986739470366 4611776 CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CC3=CC=CC=C3)O)C(=O)C4=CC=C(O4)C 1 3.842 1 5 -13.9932698414434 4611696 C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)COC3=CC4=CC=CC=C4C=C3 1 4.088 1 4 -8.99742799502852 4611621 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)C(=O)O 1 4.762 2 5 0 -9.40005096490438 4611588 COC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 2.721 3 4 0 -13.1410229093321 4611533 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.596 5 6 0 -36.0217138448542 4611525 CC1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3 1 4.61 3 0 -4.01694838987842 4611506 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O)C 1 2.369 4 3 0 -10.8975609456607 4611495 CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)O 1 3.058 1 2 -2.56778735767019 4611488 CC1CC(CN(C1)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])C 1 1.92 2 6 0 -10.53483953595 4611451 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 1.665 3 5 0 -21.3999476077417 4611450 COC1=CC=CC(=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4 1 3.052 2 4 -6.84273423589621 4611394 CC1=CC(=CC(=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C)C 1 2.794 3 3 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CCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C3(C4=CC=CC=C4)C5=CC=CC=C5 1 3.942 1 3 0.236805810948001 4608646 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)NC(=O)C3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)F 1 4.206 2 3 0.983818520702816 4608536 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NNC2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4 1 3.891 5 3 0 3.18750922981132 4608519 CC1=C(C(N2C(=CC(=O)NC2=S)N1)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C 1 3.146 4 5 0 -28.4156657759207 4608482 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4 1 2.928 3 4 0 -8.51615491100986 4608470 C1=CC=C(C(=C1)C=NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)O 1 4.125 4 6 0 -3.6177969180073 4608463 CN(C)C(=O)N1C2=CC=CC3=C2C(=N1)C4=CC=CC=C4C3=O 1 3.186 3 2 2.76707192321571 4608404 COC1=C(C=C(C=C1)CCNC(=O)CSC2=CNC3=CC=CC=C32)OC 1 3.597 2 3 -13.0971897307864 4608292 CC1CCCC(C1C)NC(=O)C2COC3=CC=CC=C3O2 1 3.24 1 3 -5.68153796688728 4608202 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C)C(=O)NC5=C(C=C(C=C5)OC)OC 1 4.316 6 3 0 -13.0271868343795 4608201 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C)C(=O)NC5=CC=C(C=C5)Cl 1 5.013 6 1 0 -6.72681963438904 4608154 CCCCN(CC1=CC=CC=C1)C(=O)CCN2C(=O)C3C4CC(C3C2=O)C=C4 1 2.536 2 3 -16.6638783989262 4608085 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C)C(=O)NC5=CC(=C(C=C5)F)Cl 1 5.219 6 1 0 -6.65035543352554 4608040 C1COC(=CO1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3 1 2.537 2 3 2.31535828818967 4608037 CCOC(=O)C1=CC=C(C=C1)N2C(=C3C=C4C(=NN(C4=O)C5=CC=CC=C5)N=CC3=C2C)C 1 3.667 4 3 0 -5.54317743386979 4607987 CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CO3 1 2.841 3 3 -17.4996035247786 4607897 CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)OC 1 1.749 3 3 0 -19.9727341334814 4607859 C1CCN(CC1)C(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3F 1 3.778 2 2 -8.4020497272411 4607819 CC1=CC(=CC=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C 1 0.292 2 4 0 -15.5250006318418 4607796 CC1=C(SC=C1C(=O)NNC(=S)NCC2CCCO2)C 1 2.072 3 2 -13.4239992028999 4607795 CC1=CC(=CS1)C(=O)NNC(=S)NCC2CCCO2 1 1.586 3 2 0 -15.6606387481025 4607790 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3 1 2.256 3 8 0 -19.0521690247636 4607759 CC1=CC=CC=C1NC(=S)NN=C(C)C2=CC3=CC=CC=C3O2 1 5.147 3 1 -2.97978745446231 4607711 CCC1=CC(=CS1)C(=O)NNC(=S)NCC2CCCO2 1 2.252 3 2 -16.3984939470026 4607710 CCC1=C(SC=C1C(=O)NNC(=S)NCC2CCCO2)C 1 2.528 3 2 -14.7793657959606 4607709 CC1=C(C(=CS1)C(=O)NNC(=S)NCC2CCCO2)C3=CC=CC=C3 1 3.104 3 2 -11.6384741946727 4607594 COC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)C3=CC=C(C=C3)OC 1 3.42 2 3 3.7350205170755 4607499 CC1=C(C(=NN1C)C)C=NNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 1 3.643 4 1 -3.25706333730656 4607497 CC(=NNC(=O)C1=CC=NC=C1)C2=CC=C(C=C2)N3CCOCC3 1 1.363 4 2 0 -8.76834410492747 4607449 CN1CCN(CC1)C(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)F 1 1.935 3 4 0 -9.08945458695991 4607442 CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)CC3=CC=CS3 1 2.799 2 2 -15.3473515048055 4607409 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=CC=CC=[N+]3[O-] 1 1.217 4 5 0 -26.6807932971685 4607406 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CCC3=NC4=CC=CC=C4S3 1 1.686 3 6 0 -23.9561906390361 4607377 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC=C(C=C2)O 1 1.151 1 5 0 -12.0845670500526 4607284 CC(C)CC(=O)NCC1=CC2=C(C=C1)NC3=C2CCCC3 1 4.008 2 1 -6.64747814086457 4607154 CCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=CC=C3)C(=O)OC(C)C)C 1 3.46 3 3 -29.9880592930421 4607068 CCCCC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=CC(=C3C)C 1 3.354 3 3 -10.1458518450555 4607004 COC1=CC=CC(=C1)NC(=O)C2CCN(CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5 1 4.371 5 2 0 3.98889316559826 4607002 C1CN(CCC1C(=O)NCC2=CC=CC=N2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5 1 3.459 6 1 0 -5.48282880390882 4606982 C1=CC=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 1.834 2 3 0 -10.2705897429938 4606887 CC1=CN=C(C=C1)NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C 1 3.985 3 1 -7.8403476157806 4606799 CC1CCCC(N1C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C 1 3.592 1 4 -6.47144531359937 4606790 CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)Br)OCC#N)C(=O)C 1 1.402 3 3 0 -30.2709234665745 4606765 COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)N(C(=NC3=CC=CC=C3)S2)CCC4=CNC5=CC=CC=C54)C(=O)OC 1 5.017 4 6 0 -14.2524026920064 4606755 CC(C)NC(=O)NC(=O)COC(=O)C1(CC1(Cl)Cl)C 1 0.999 2 4 0 -10.9647794324809 4606748 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)NC(=O)C4=CC=CO4 1 2.331 3 6 0 -7.20826146357002 4606744 CC1=C(C=C(C=C1)C(=NNC(=O)C2=CC=CC=C2)C)[N+](=O)[O-] 1 3.044 3 3 -10.3528150950604 4606670 CC1=C(N(N=N1)C2=NON=C2N)C(=O)NN=CC3=CC(=C(C=C3)OC)OC 1 1.119 8 4 0 -24.4414499633308 4606650 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC3=C(C=C(C=C3)C)NC2=O 1 3 2 3 -8.41856150343728 4606605 CCCCC1=NC(=C2C(=C1)C3=CC=CC=C3OC2=O)NC(=O)C 1 3.321 2 3 -8.77119828423393 4606555 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CN2CCCC2 1 1.02 3 3 0 -12.9039473693071 4606516 CC(C)(C)C(=O)NC1=C(SCC1)C(=O)OC 1 1.067 1 3 0 -11.5217723598558 4606416 CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)CC4=CC(=O)NC(=O)N4 1 3.473 6 3 0 -16.82638226173 4606390 C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)N3CCCC3 1 0.225 3 3 0 -12.9925323160854 4606346 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC=CS3 1 1.852 3 4 0 -20.6401536393117 4606333 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)COC3=CC=CC=C3 1 3.101 2 2 -9.80337731199932 4606326 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)NN=CC3=C(C=C(C=C3)Cl)Cl 1 2.649 4 4 0 -22.3432223112887 4606298 COC1=CC=CC=C1NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl 1 3.185 1 4 -7.97858625310785 4606227 CCC1=C(N=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=CS4 1 4.354 2 3 -12.4430873616402 4606210 CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC)OC)C(=O)NC3=CC=CC=N3 1 2.638 4 3 0 -30.2228874085042 4606177 CCNN=C(CC1=NC2=CC=CC=C2N1)C3=CC=CC=C3 1 3.308 4 0 -2.17597374040774 4606144 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5 1 3.112 5 2 0 -1.84246384282618 4606081 CC1=CC=CC=C1C(=O)N2CCN=C2SCC3=CC=C(C=C3)[N+](=O)[O-] 1 4.272 3 3 -13.0424131293968 4606089 CCOC1=CC=C(C=C1)CC(=O)NCC2=CC3=C(C=C2)N(C(=C3)C)C 1 3.633 2 2 -11.2209195069596 4605989 C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.536 2 3 0 -15.6431214043829 4605932 CC(C)(C)NC(=O)C12CC3CC(C1)CC(C3)(C2)Cl 1 2.848 1 1 -8.82995152415538 4605929 C1CCC(CC1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl 1 3.776 1 1 -6.68881065036827 4605879 CC(C)C1C(=C(OC2=C1C(=O)NC(=N2)SCC=C)N)C#N 1 2.42 4 2 -15.7379430743568 4605800 C1CC2=C3C(=CC=C2)N(S(=O)(=O)N3C1)CCN4CCC(=CC4)C5=CNC6=C5C=CC(=C6)F 1 3.539 4 2 -4.12955904319446 4605761 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NCC3CCCO3)C4=CC=C(C=C4)OC 1 2.308 3 4 0 -26.8065278105361 4605718 CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl)C 1 4.852 4 2 -29.1163863785722 4605682 CCOC(=O)C1=C(OC(=C(C1C2=CN=CC(=C2)C3=CC=C(C=C3)F)C#N)N)C 1 2.537 3 3 -6.70061998210814 4605631 CCOC(=O)C1CCN(CC1)C(=O)CCN2C(=O)C3C4CC(C3C2=O)C=C4 1 0.3 2 5 0 -13.8425765783889 4605621 CC1=CC=C(C=C1)C2=NC(=C(O2)SCC(=O)NCC3CCCO3)S(=O)(=O)C4=CC=CC=C4 1 3.865 2 5 0 -18.4598160249619 4605583 CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC 1 3.812 1 5 -19.0386490600339 4605576 C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCCC(=O)NCC4=CC=CO4 1 2.304 3 5 0 -16.4593974568496 4605494 C1CCN(CC1)CCCNS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4 1 2.766 3 3 -15.2504775058094 4605485 CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCCC3 1 2.347 4 3 0 -26.8327608711627 4605461 CCC(=NNC(=O)C1CC1)C2=CC(=CC=C2)Cl 1 3.088 2 1 -4.70035499642571 4605456 CC(=NNC(=O)C1=CC=NC=C1)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.626 4 2 -6.94091269830345 4605327 C1CC2=C(C(NC(=S)N2)C3=CC=CC=C3)C(=O)C1 1 2.59 2 1 -23.6510587653092 4605259 CN1C(=C(C=N1)Cl)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.126 4 3 0 -6.17029805769525 4605161 CC(C)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3COC4=CC=CC=C4O3)F 1 4.388 2 5 0 -8.33535764314594 4605084 CCCCCCCCC(=O)NCCOC1=CC=CC=C1 1 4.41 1 2 -13.7406814960862 4605044 CCOC1=C(C2=CC=CC=C2C=C1)C3C(=C(NC(=O)N3)C)C(=O)OCCOC 1 2.174 2 5 0 -29.8913831529894 4605013 CCCN1C=C(C2=CC=CC=C21)SCC(=O)NC3=NOC(=C3)C 1 3.518 3 2 -20.8434676086722 4604972 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NNC(=N3)N 1 0.748 7 4 0 -26.0791569233772 4604894 C1COCCN1C(=S)NC2=C(C=C(C=C2)F)F 1 3.146 2 1 -10.3174598347958 4604925 CC1CC2=CC=CC=C2N1C3=CC(=O)CCC3 1 3.051 1 1 -7.02456449378036 4604834 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NN=CC2=CC=CS2 1 3.096 3 2 -11.1115925381613 4604770 CC1=C(N=C2N1C=CC=C2)C(=O)NN=C(C)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.009 5 3 0 -14.7394546310764 4604766 COC1=CC=CC(=C1)C2=CN(C(=S)N2)C3=CC=CC(=C3)C(F)(F)F 1 4.761 2 1 3.92798647020869 4604630 CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)NCC5=CC=CO5 1 5.277 3 3 -22.2186390267935 4604628 C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)NCC5=CC=CO5 1 4.791 3 3 -22.6483552189482 4604626 CCOC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CO3)SC4=C2C=C(C=C4)[N+](=O)[O-] 1 4.105 3 6 0 -19.9267770573592 4604458 C1=CC=C(C(=C1)CSCC(=O)NCC2=CC=C(C=C2)F)F 1 3.433 1 1 -13.5013258969229 4604410 CC1=C(C=CC=C1Cl)NC(=O)CCCN2C(=O)C3=C(C2=O)N=CC=C3 1 2.496 3 3 -6.58051827730056 4604212 CN(C1=CC=C(C=C1)Br)C(=O)C2=COC(=O)C3=CC=CC=C32 1 3.073 1 3 -3.57922024211912 4604163 COC1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)N=C2SCC(=O)NC4CCCCC4 1 4.668 3 3 -30.5567324298725 4604125 CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F 1 5.097 3 2 -25.950209443513 4604119 CCCCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC(=CC=C3)[N+](=O)[O-] 1 4.996 3 3 -24.6716069999601 4604107 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C 1 3.489 1 4 -8.58865877166745 4604103 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C)C(=O)NC5=CC=C(C=C5)F 1 4.554 6 1 0 -7.83694129951061 4604093 CC(C)SC1=CC(=C(C2=NON=C12)[N+](=O)[O-])N(C)CCOC(=O)C 1 2.564 4 5 0 -3.57753682076711 4604090 CC1=CC=C(C=C1)C2C(=C(C(=O)O2)O)C(=O)C 1 1.639 0 4 0 -7.13660962172362 4604045 CC(=NNC(=O)C1=CC=CC=C1N2C=CC=C2)C3CC3 1 2.624 3 1 -9.91251376616977 4604044 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)NC(=O)C4=CC=C(C=C4)F 1 5.051 3 3 -3.57818581384783 4604028 C1=CC=C(C=C1)CNC(=S)NCC2=CC=CO2 1 3.006 2 1 -9.2367499006191 4603737 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)CNC(=O)C3=CC=C(C=C3)Br 1 4.318 2 5 0 -21.8801758345336 4603734 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=NC=NC4=CC=CC=C43 1 2.016 4 5 0 -16.676029708059 4603691 CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)NNC4=NCCC4)C5=CC=CC=C5 1 3.411 6 2 0 -6.77885072357571 4603688 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CNC4=CC=CC=C43 1 3.929 3 3 -19.726460239765 4603685 CC1(CC1(Cl)Cl)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 2.193 3 5 0 -13.3015191859784 4603678 C1CC(OC1)CNC(=O)COC(=O)C2=CC=C(O2)Br 1 1.067 1 5 0 -16.9118863125029 4603626 CC(=O)OC1=C(C=CC(=C1)C=NNC2=NS(=O)(=O)C3=CC=CC=C32)OC 1 2.016 3 5 0 -8.68929144480145 4603601 CC1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)N(C)C(=O)C)O 1 2.26 3 3 -0.796292149254797 4603600 C=CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-])C4CCCCC4 1 5.446 5 4 0 -10.2907710350859 4603588 CC(=O)CSC1=NC=NC2=C1C3=C(S2)CCC3 1 2.702 2 1 -14.6376698993649 4603494 C1=CC=NC(=C1)C=NNC2=NC(=O)NN=C2 1 0.191 6 1 0 -9.0480585062568 4603398 COC1=CC=CC=C1N2C=NC3=C2C=CC(=C3)C(=O)N4CCOCC4 1 2.213 3 3 -8.73900743597066 4603395 CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCN4CCCC4=O 1 3.135 4 3 0 -25.3174444507713 4603391 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3=CC=CO3 1 2.809 1 5 0.804433101396834 4603389 CC1=CC(=NN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C 1 1.183 4 5 0 -20.8951347188978 4603386 CC1(CC(=O)C(=NNC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C(=O)C1)C 1 1.94 3 5 0 -22.0105672167641 4603369 CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=CO3 1 1.827 2 4 0 -7.12758207131805 4603254 CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)C5=CC=CC=N5)C)C 1 5.366 6 1 0 -8.64967821658817 4603060 CC1=CC=C(C=C1)OCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3 1 3.978 4 4 0 -4.03298658131095 4603044 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC)C4=CC=CC=C4 1 4.036 3 5 0 -9.77505065011156 4602970 C1CN(CC2=CC=CC=C21)C3=NC=C4C(=N3)CC(CC4=O)C5=CC=CC=C5 1 3.585 3 1 -8.29600759650781 4602964 CC1=C(N2C=CC=CC2=C1)C(C[N+](=O)[O-])C3=C(C=CC(=C3)OC)OC 1 3.981 2 4 -5.38128652400958 4602772 CC(=O)OCC(=O)N1C(CC(=N1)C2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4 1 3.367 2 3 -3.06027834259303 4602720 C1CN(CCC1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.148 1 2 -10.1037141110439 4602714 CC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.469 4 5 0 -29.4757411053117 4602677 CSC1=NN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3 1 3.063 3 1 -9.80742608104998 4602650 COC1=CC=C(C=C1)N2C(=NNC2=S)CNC(=O)C3=CC=CS3 1 2.675 4 2 -13.031931394056 4602593 C1=CC(=CC=C1CNCC(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O)F 1 4.496 1 1 0.162652056811184 4602640 C1=CC=C(C=C1)COC(=O)NC(CCC(=O)OCC(=O)NC2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=CC=C3 1 2.992 3 8 0 -19.0884181478546 4602507 COC1=CC(=C(C=C1)OC)C=NNC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.515 4 7 0 -29.1516189084006 4602436 CC1CCCC(C1C)NC(=O)CC2=CC=C(C=C2)Br 1 4.25 1 1 -8.14467970803784 4602425 CC1=CC=CC=C1OCC(=O)NN=C(C)CCC2=CC=CC=C2 1 3.466 2 2 -6.35332337754095 4602364 CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OC(C)(C)C 1 5.46 2 8 0 -21.5304326041131 4602276 CC(=NNC(=O)C1=CC=CS1)C2=CC=CS2 1 2.57 2 1 -7.88050583839983 4602183 CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)OC(F)F 1 2.85 3 5 0 -5.51148302951686 4602171 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O)C 1 2.651 4 5 0 -14.3577299628544 4602134 CC(=O)C1=CN(C(=O)N(C1=O)CC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl 1 3.663 2 3 -5.62099567839751 4602133 CCOC(=O)CN1C(=O)N(C(=N1)C)C2=CC=C(C=C2)Cl 1 1.918 3 3 0 -7.05155197590631 4602065 CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)COC(=O)C3=NNC(=O)CC3 1 2.605 3 5 0 -19.9193829164444 4602053 CC(C1=CN=CC=C1)N(CCN(C)C)C(=O)NC2=CC=C(C=C2)Cl 1 2.765 4 1 -4.69608513870106 4602048 CC(C1=CN=CC=C1)N(CCN(C)C)C(=O)NC2=CC(=CC=C2)OC 1 2.084 4 2 -6.67173887026914 4602044 CC1=CC(=CC=C1)NC(=S)N(CCN(C)C)C(C)C2=CN=CC=C2 1 4.483 4 0 -7.46091025354579 4602035 CSCCC(C(=O)OCC(=O)NC1CCCCC1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.842 2 5 0 -23.0718761490049 4601988 CC1(C(=O)NC(=O)N1CC2=CC=CC=C2)C 1 1.425 2 2 0 -4.16676671018477 4601866 C1=CC(=CC=C1CCNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)S(=O)(=O)N 1 4.041 4 4 0 -19.3957328661103 4601805 C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2CC(=O)NN 1 2.58 4 1 -10.830437438446 4601804 COC1=CC=C(C=C1)C=NNC2=NC(=O)C(=NN2)CC3=CC(=C(C=C3)OC)OC 1 2.641 5 4 0 -17.9058115021819 4601686 CC1=NC2=C(C(=NN2C(=C1)SCC(=O)C3=CC=CS3)C)C4=CC=CC=C4 1 4.476 3 1 -8.45180516608344 4601664 C1=CC=C2C(=C1)C=C3C=C(C4=NC5=CC=CC=C5C(=O)N4C3=N2)C#N 1 3.478 4 1 -5.82141421974639 4601661 CN1CC(C(C1)C(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC 1 2.936 1 4 0.83775392738186 4601605 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)CC3=CC(=C(C=C3)OC)OC 1 3.401 1 4 -7.2870455089747 4601522 C1=CC=C2C(=C1)C3=C(O2)C(=O)N(C=N3)CC4=CC=C(C=C4)Cl 1 3.799 2 2 3.02090660749744 4601471 CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.765 6 6 0 -34.0191776043808 4601442 CC1=CC(=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC(=CC=C3)F)CC4=CC=CC=C4)C 1 4.888 4 3 0 -14.8171534815568 4601439 COC1=CC=CC(=C1)NC(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)N5CCOCC5)N 1 3.955 4 3 0 -9.31503419601424 4601433 C1CC(OC1)CN2C3=C(C=C(C2=N)C(=O)NCC4=CC=CC=C4Cl)C(=O)N5C=CC=CC5=N3 1 1.86 5 3 0 -29.4125360219612 4601418 COC1=CC(=C(C=C1)NC(=O)CCCCC(=O)NC2=C(C=C(C=C2)OC)OC)OC 1 2.797 2 6 0 -12.2205625170123 4601363 COC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=C2C=C(C=C3)CC(=O)O)C(=O)O 1 1.59 1 8 0 -15.0092914367735 4601352 C1CC(=O)NC1C(=O)OCC(=O)NC2=CC=C(C=C2)Br 1 0.856 2 4 0 -13.6689739399192 4601351 CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Cl 1 3.834 2 3 -3.46226374476292 4601305 CC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(O4)C 1 2.843 8 3 0 -23.7192245780806 4601256 CS(=O)CC1=CC(=NC(=N1)C2=CC=NC=C2)SC3=CC=CC=C3 1 2.83 3 1 7.35248213572704 4601214 CC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3COC4=CC=CC=C4O3 1 0.662 3 5 0 -11.1936602866937 4601178 CCCCOC(=O)C1=CC=C(C=C1)NC(C2=CC=C(C=C2)C)P(=O)(OC)OC 1 4.406 1 5 -11.4800385591821 4601159 COC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Cl)N3CC4=CC=CC=C4C3=O 1 4.841 1 5 -10.7522956114595 4601136 CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3CC=CCC3C(=O)O 1 4.031 2 3 -21.3060625378947 4601130 COC(CNC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=S)OC 1 3.529 3 4 0 -15.389472728703 4601117 CCCCOP(=O)(C(C1=CC=C(C=C1)F)O)OCCCC 1 3.601 0 4 -3.44518621944187 4600990 CC1=CC(=CC(=C1)NC(=S)N(CCN(C)C)CC2=CC=CS2)C 1 5.482 3 0 -9.3313633387235 4600986 CC1=C(C(=CC=C1)C)NC(=S)N(CCN(C)C)CC2=CC=CS2 1 5.482 3 0 -10.2251448961659 4600984 CCC1=CC=CC=C1NC(=S)N(CCN(C)C)CC2=CC=CS2 1 5.452 3 0 -10.2904229259495 4600956 COC1=C(C2=C(C=C1)SC3=CC=CC=C3C2=O)OC 1 3.489 0 3 -0.714421258273417 4600955 CC1CN(C(=S)NC1=O)C2=CC=CC=C2OC 1 2.835 2 2 -7.56825180285247 4600938 CCN(CC)CCNC(=O)C1CCCCN1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.79 4 5 0 -19.1605771798346 4600878 CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CSC4=NC=NN4 1 2.61 5 1 -22.8375197428926 4600876 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)CCOC2=CC=CC=C2OC 1 2.17 2 7 0 -18.9990538719481 4600813 C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=NN=C(O4)C5=CC=C(C=C5)Cl 1 3.1 2 4 -3.53903231721082 4600776 C1C(=O)C(=C(N1C2=CC(=CC=C2)S(=O)(=O)N)N)C3=CC=CC=C3 1 1.372 3 3 0 -9.87893242549512 4600742 CC(C(=O)OC)NC(=O)COC1=CC2=CC=CC=C2C=C1 1 1.973 1 4 0 -9.411450902506 4600740 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=NC=C3 1 0.64 3 6 0 -23.5319446632696 4600623 CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCC4=CC=CC=C43 1 2.373 2 5 0 -22.4724119008254 4600580 COCCNC(=S)NCC1=CC2=C(C=C1)NC3=C2CCCC3 1 3.787 3 1 -6.04758223819582 4600553 C1CN(C(=N1)SCC2=CC(=CC=C2)F)C(=O)COC3=CC=CC=C3 1 3.932 2 2 -10.2701382873003 4600486 COC1=C(C=C(C=C1)C2C(C(=O)N2C3=CC4=C(C=C3)OCCO4)(F)F)OC 1 2.912 1 5 -7.32239908380125 4600474 C1=CC=C(C=C1)C(C(CN2C=NC=N2)C(=O)C3=CC=CC=C3)SC4=CC=CC=C4 1 5.013 3 1 -8.55788959487525 4600435 CC1=CC=C(O1)C=NNC2=NC3=CC=CC=C3S2 1 2.977 3 1 3.83077140570861 4600374 CC(=NNC(=O)C1COC2=CC=CC=C2O1)C3=CC4=CC=CC=C4O3 1 3.031 2 4 0.675453977536443 4600213 C1=CC=NC(=C1)CCSCCC(=O)NC2=C(C(=C(C(=C2F)F)F)F)F 1 3.603 2 1 -9.49217674624258 4600212 C1=CC=NC(=C1)CCSCCC(=O)NC2=NC=C(C=C2)Br 1 2.712 3 1 -11.7204539480118 4600210 CCOC1=CC(=C(C=C1)OCC)NC(=O)CCSCCC2=CC=CC=N2 1 3.24 2 3 -13.1446907154696 4600208 C1=CC=NC(=C1)CCSCCC(=O)NC2=C(C=C(C=C2)Br)F 1 3.529 2 1 -7.56546537884067 4600207 CC1=CC=C(C=C1)NC(=O)CCSCCC2=CC=CC=N2 1 3.062 2 1 -9.20763897447203 4600171 CC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C(C)CC4=CC5=C(C=C4)OCO5 1 5.452 2 3 -9.08598387608955 4600128 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 2.424 2 5 0 -9.77300510112597 4599824 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=NC(=CS2)C 1 3.364 2 2 -3.89609264658063 4599754 C1CCC(=CC1)CCNC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Br 1 2.88 2 4 -18.9094190465863 4599680 CC1C(C2(C3CCCCC3(O1)OC2=N)C#N)(C#N)C#N 1 0.883 4 2 0 -1.32922241218819 4599570 CCC1=CC=C(C=C1)NC(=O)C(=O)NN=C(C)CC(=O)NCC 1 0.936 4 3 0 -11.9855720652483 4599423 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)CNC(=S)NC4=CC=CC=C4Cl 1 6.436 3 0 -0.703120360901494 4599425 COC1=CC(=C(C=C1NC(=O)C2C3CC(C2C(=O)O)C=C3)OC)Cl 1 2.124 1 5 -8.36264941505547 4599426 CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)NC(=O)NC34CC5CC(C3)CC(C5)C4 1 5.079 4 1 -5.17004992160619 4599319 CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)C 1 4.74 2 3 7.81740465717109 4599302 C1=CC=C(C=C1)NC(=S)NC(CCC(=O)N)C(=O)O 1 1.552 3 3 0 -16.2444406406577 4599300 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)C(=O)NCC5=CC=C(C=C5)F 1 1.922 6 2 0 -21.8177840279918 4599299 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3(CCCCC3)C4=NN=NN4C5=CC=C(C=C5)Br 1 3.793 7 1 0 -16.9295580038419 4599216 C1C(CN=C(N1)N[N+](=O)[O-])OC(=O)NC2=CC=CC=C2 1 2.891 5 4 0 -9.25681611571077 4599213 CC(CN1CCCC1)C(=O)NN 1 -0.147 3 1 0 -5.7398307278197 4599091 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NC4=CC=CC=C4C=C3 1 3.749 3 3 -20.8364989562581 4599064 C1CCC(C1)NC=C2C(=O)CC(CC2=O)C3=CC(=CC=C3)Cl 1 3.061 1 2 -4.59176937338604 4599008 CC(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3Cl 1 2.591 2 4 -14.7303457323762 4598950 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(N=CC=C3)Cl 1 1.43 4 2 0 -13.1846590180003 4598876 CC(=O)N1CCN(CC1)C(=S)NC(=O)C23CC4CC(C2)CC(C4)C3 1 2.555 3 2 -10.975629729818 4598832 CC1=CC(=C(N1CC2CCCO2)C)C(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-] 1 2.056 4 5 0 -19.7427699602127 4598816 CN(C)S(=O)(=O)C1=CC=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 1.312 3 7 0 -11.0309261111667 4598811 CC1CC(CN(C1)C(=O)COC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C 1 2.868 2 5 0 -15.2757992411136 4598721 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)COC 1 1.605 3 5 0 -33.0874845019273 4598672 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F 1 2.924 3 3 -8.25478723183382 4598644 C1CCC(CC1)N(C2CCCCC2)C(=O)C3=CN=C4N(C3=O)CCS4 1 3.569 3 2 -11.7074582524466 4598584 C1=CC=C(C=C1)C(C(=O)O)SC2=NC=NC=C2 1 2.332 2 2 -5.9601870078809 4598535 CN(C)CCN(CC1=CC=CS1)C(=S)NC2=CC=C(C=C2)OC 1 4.494 3 1 -9.35556554903757 4598533 CC1=CC(=CC=C1)NC(=S)N(CCN(C)C)CC2=CC=CS2 1 4.996 3 0 -7.15234801308907 4598531 CC1=CC=C(C=C1)NC(=S)N(CCN(C)C)CC2=CC=CS2 1 4.996 3 0 -8.94259933989342 4598526 CN(C)CCN(CC1=CC=CS1)C(=S)NC2=CC(=CC=C2)OC 1 4.494 3 1 -9.09625438087468 4598523 C1=CC(=CC=C1NC(=O)CCN2C(=O)C3=C(C2=O)C=NC=C3)F 1 0.801 3 3 0 -10.2281905795938 4598465 CC1=CC=CC=C1OCC(CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3)O 1 4.114 1 5 -13.3254600352651 4598464 C1=CC=NC(=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 1.584 4 4 0 -5.24294435642089 4598246 CCNC(=O)NC(=O)C(C)OC(=O)C1=C(C2=C(O1)C=CC(=C2)OC)C 1 2.423 2 6 0 -1.16717921633171 4598238 C1CCC(CC1)(CNCC(COC2=C(C=C(C=C2)Cl)Cl)O)N3CCCCC3 1 5.004 2 2 -2.17092625630523 4598122 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)N3CCCCCC3)C4=CC=C(C=C4)OC 1 4.648 4 4 0 -22.0325977290258 4598116 CCOC1=CC=C(C=C1)S(=O)(=O)NN=C2CC(OC3=CC=CC=C23)C4=CC=CC=C4 1 4.229 2 4 -1.7218678701862 4598102 COC1=CC=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)Cl 1 3.115 3 4 0 -4.3235585113454 4598002 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=C(C=CC(=C3)F)F 1 3.541 1 3 -7.24561729289431 4597757 CCCCN(CC1=CC=C(O1)C)CC2=CC=C(O2)C 1 3.47 1 2 0.938980740431486 4597530 CC1=C(C(C(=C(N1)C)C(=O)OCC2CCCO2)C3=CC(=CC=C3)Br)C(=O)OC 1 2.979 1 5 -26.5665519739527 4597480 C1C2CC3CC1CC(C2)(C3)NC(=O)NNC(=O)C4=CN=CC=C4 1 1.195 4 2 0 -9.94322052832031 4597419 CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4)[N+](=O)[O-] 1 3.332 5 3 0 -12.92793932272 4597377 CN(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl 1 3.736 4 2 -5.84248435877603 4597371 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CCO)CC3=CC=CC=C3)NC1=S 1 2.469 3 4 0 -11.628515473793 4597370 COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3OC 1 2.848 3 4 0 -16.7114808271678 4597363 CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=C(ON=C3C)C 1 2.322 3 3 -17.743699954133 4597337 C1CCCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=CC=C3)N4CCCCCC4 1 4.321 7 0 0 -2.09859367396568 4597240 CN(C)C1=C(N=C(O1)C2=CC=CC=C2Cl)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 6.29 2 2 4.37445338101634 4597189 CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC(C)C)[N+](=O)[O-] 1 1.768 4 6 0 -18.6987765054812 4597154 CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC(CC3=CC=CC=C32)C(=O)OC 1 3.044 2 4 -5.52828278399895 4595229 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=CC5=C(C=C4)OCO5 1 1.44 2 6 0 -8.89262747677004 4595224 COC1=CC=CC=C1C(=O)NC2=NN=C(O2)C3=CC4=C(CCCC4)C=C3 1 3.952 3 3 -6.47570290224008 4595207 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=C(NC3=S)N=CC=C4 1 2.165 5 3 0 -9.40860399747196 4595179 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.293 3 2 -8.59696722803011 4595176 C1=CC=C(C=C1)C(C(CN2C=NC=N2)C(=O)C3=CC=C(C=C3)Cl)SC4=CC=CC=C4 1 5.678 3 1 -5.64721187473084 4595109 CN(CC(OC)OC)C(C1=CC=CC=C1)C(=O)NC2CCCCC2 1 2.895 2 3 -13.0310790498923 4595084 CC1(CC2CC(C1)(CN2C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C)C 1 3.074 3 5 0 -14.4950689292011 4595011 CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)F 1 3.824 3 6 0 -18.171975248466 4595009 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3C=C(C=N3)C(=O)C4=C(C=CC(=C4)Cl)O)[N+](=O)[O-] 1 4.248 4 7 0 -0.331893604514838 4594941 C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)Cl)N3CCC4(CC3)OCCO4 1 3.686 2 3 -9.20208126362082 4594938 CC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N3CCC4(CC3)OCCO4 1 3.508 2 3 -11.0240799542076 4594935 CC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.719 3 3 -12.0831098633189 4594917 C1CC2C(C(C1O2)C(=O)NC3=CC=C(C=C3)C(=O)O)C(=O)O 1 0.454 1 6 0 -4.98041460942163 4594879 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3C4=CC=CC=C4 1 3.447 3 3 -3.15054134524256 4594760 CCCC(=O)N1CC(=O)NC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)Br 1 3.658 2 2 -20.3739950482656 4594660 C1COC(=CO1)C2=NN=C(O2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 1.533 3 5 0 -4.98628120170374 4594641 CC1=CC2=C(C=C1)C(=C(O2)C(=O)N(CC3=CC=CC=C3)C4CCS(=O)(=O)C4)C 1 3.902 1 4 -5.67692102092386 4594597 C1COCCN1CCN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)N5C=CC=CC5=N3 1 1.467 5 4 0 -24.5160065420029 4594582 CCOC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)OC 1 4.477 3 3 -15.1692959864312 4594554 CC(=O)C1=CNC(=C1)C(=O)NCC2CCCO2 1 0.521 2 3 0 -11.0227033576794 4594528 CC(=NNC(=O)CNC(=O)C1=CC(=CC=C1)OC)CC2=CC=CC=C2 1 1.732 3 3 0 -14.9490226480353 4594520 CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCC3CSC4=NC5=CC=CC=C5C(=O)N34 1 5.545 3 2 -19.5038924710646 4594510 CC(C)C(=O)OC1CCS(=O)(=O)C2=C1C=CS2 1 1.956 0 4 0 -8.53181117369713 4594488 CC1=CC=C(C=C1)C(=NNC(=O)CC2C(=O)NNC(=N2)CC3=CC=CC=C3)C 1 1.743 5 2 0 -11.7867234870341 4594477 C1=CC=C(C(=C1)C2C(C(=O)NC(=C2C#N)[O-])[N+]3=CC=C(C=C3)C4=CC=NC=C4)C(F)(F)F 1 2.941 4 2 -6.7131342066515 4594468 CCC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=CC=CC=N1 1 1.992 3 3 0 -9.15121545762412 4594461 C1CS(=O)(=O)CC1N(CC2=CC=CS2)C(=O)COC3=CC=CC=C3 1 1.91 1 4 0 -16.7328675123404 4594459 C1CSC2=C(C=CS2)C(=O)N1CC3=CC=C(C=C3)F 1 3.179 1 1 -3.26486588749808 4594455 CSC1=NC(=CC(=N1)N2CCN(CC2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5 1 5.155 6 0 2.80744107513272 4594452 C1=CN(C=C1)C2=C(SC=C2)C(=O)NNS(=O)(=O)C3=CC(=CC(=C3)Cl)Cl 1 3.733 3 3 -9.66040798275192 4594444 CC1=CC2=C(C=C1)SCCC2=NO 1 2.599 1 1 1.83767387009486 4594436 C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4)SC5=C2SC(=O)N5 1 3.282 2 3 -4.52957798568555 4594426 C1=CC=C2C(=C1)NC(=N2)NN=CC3=C4C(=CC=C3)N=CC=N4 1 2.333 6 0 4.90367279491013 4594409 CC1CN(CC(O1)C)CCC(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OC 1 2.293 3 4 0 -9.14539074116004 4594400 CC1=NN(C(=O)C1=C2N(C(=O)C(=C3N(C4=CC=CC=C4S3)C)S2)CC=C)C5=CC=CC=C5 1 4.404 4 2 -6.03623391154592 4594312 CC(C(=O)O)OC1=CC=C(C=C1)C=NNC(=O)CC2=CC=CC3=CC=CC=C32 1 3.575 2 4 -9.83027607518724 4594296 CCOC(=O)C1=C(N2C(=NC(=N2)N3CCOCC3)N=C1)N 1 -1.2e-002 6 3 0 -9.33587349724657 4594276 CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC(=C(C=C2)OC)OC 1 2.901 2 4 -3.76337907412214 4594275 CC1=CC=C(C=C1)SCC2=C(N3C=CC=NC3=N2)Br 1 3.994 3 0 2.65702950990853 4594270 CCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC(=CC=C4)Cl)O2 1 2.292 1 4 3.41911778854455 4594243 COC1=CC=CC=C1NC(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)N5CCOCC5)N 1 3.955 4 3 0 -12.7001783343356 4594242 CC(=NNC1=NC(=O)CC(S1)C(=O)O)C2=CC=C(C=C2)OC 1 1.78 3 4 0 -10.1481824338939 4594206 CN(C)S(=O)(=O)OC1=C(SC=C1)C(=O)NC2=CC=C(C=C2)Cl 1 2.381 2 4 -7.58764765594081 4594204 CC1=CC=CC=C1SC2=NC=NC3=C2C(=NO3)C 1 3.33 3 1 -2.84377996359904 4594193 CC(C)CC(=O)ON=C(C)C1=CC(=NO1)C2=CC=C(C=C2)Cl 1 4.192 2 3 4.02398417704405 4594191 CN(C)C=NC1=NC=C(C=N1)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.483 5 0 6.52261457353184 4594181 CC1=NN(C(=C1CCNS(=O)(=O)C2=CC=C(C=C2)F)OC3=CC=CC=C3)C 1 3.468 3 3 -1.83634000067428 4594162 C1CN(CCC12N(CCO2)C(=O)C3=CC(=CC=C3)C(F)(F)F)C4=C(C=C(C=N4)C(F)(F)F)Cl 1 5.188 3 2 -4.8259616595468e-002 4594152 C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N(C2=O)CCCN4C5=CC=CC=C5N=C(C4=O)C(=O)C6=CC=CC=C6 1 5.06 4 4 0 -8.59008821593168 4594149 C1=CC=C2C(=C1)C=C(C(=N2)SCCCF)C=O 1 3.319 1 1 -2.07616120015248 4594148 C1CCC2=C(C1)C(=NC(=N2)SCC3=CC=CC=C3Cl)SCC(=O)O 1 5.444 2 2 -15.9247606798832 4594104 C1=CC=C(C=C1)C(=O)C2=NN(C3C2C(=O)N(C3=O)C4=CC(=CC=C4)Cl)C5=CC=CC=C5 1 4.682 3 3 -2.71949535107402 4594146 CC(C)C1=C2CSC(CC2=C(C(=N1)Cl)C#N)(C)C 1 4.049 2 0 -4.98157096559089 4594134 CC(CCC1=CC=C(C=C1)OC)NCCC2=C(C=C(C=C2)Cl)Cl 1 5.739 1 1 0.944288502702561 4594073 C1=CC=C(C=C1)C(C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-])O 1 2.038 3 4 0 -4.21421894927378 4594066 COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2C=CN=C2)[N+](=O)[O-] 1 1.143 4 6 0 -5.47608741036829 4594054 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5C6CC(C5C4=O)C=C6 1 3.346 3 5 0 -11.1393388077279 4594046 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCC(CC2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6 1 1.56 3 4 0 -12.8499967496126 4593836 CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=O)CN3C=NC=N3 1 1.663 5 1 0 -12.282814320361 4593820 CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 1.884 4 6 0 -21.1219670952716 4593769 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC4=C3C(=O)C5=CC=CC=C45 1 3.217 2 3 -4.49478160857357 4593731 CC1(C2CCC1(C(C2)OC(=O)C3=CC=C(C=C3)O)C)C 1 3.776 0 3 -1.70453754734092 4593720 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC(=C(C=C2)O)OC)NC=O 1 2.364 2 4 -5.2694940673992 4593674 C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.363 3 5 0 -9.09830767918606 4593581 C1=CC=C(C=C1)NC2(C3=CC=CC=C3NC2=O)C#N 1 2.07 3 1 -7.34818970518025 4593573 CC1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CC=C4 1 2.889 2 4 -4.40420901273564 4593571 CC1=C(C(=CC=C1)NC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-])C 1 4.327 4 4 0 -4.46791225133423e-002 4593448 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NCCCN3C=CN=C3 1 0.295 4 3 0 -13.2954366832875 4593375 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(S4)Cl 1 1.91 3 7 0 -11.8582452547805 4593362 CC1(CC2=C(CO1)C=C3C(=N2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NCC5=CC=CC=C5)C 1 3.802 4 3 0 -31.1141841075419 4593279 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5 1 2.958 8 4 0 -27.6033085907949 4593289 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3F 1 2.134 3 3 -9.0779134576719 4593252 C1CC(OC1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4 1 -6.3e-002 3 6 0 -25.5187223672864 4593229 C1CCC(CC1)NC(=O)NNC(=O)C2CC(=NO2)C3=CC=CS3 1 1.782 4 3 0 -11.7627759428829 4593227 CN(C)C=NC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)F 1 2.054 3 2 -10.8848161397744 4593196 CC1=NC2=C(C(=N1)SCC(=O)NC(C)C3=CC=CC=C3)OC4=CC=CC=C42 1 4.04 3 2 -11.1685658471001 4593180 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.37 2 6 0 -6.81854963985341 4593118 CN1C=CC=C1C(=O)C(=O)NC2=C(C(=CC=C2)Cl)Cl 1 3.42 2 2 -4.49697947860706 4593075 C1=CC=C(C=C1)C2(C3C2(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C6=CC=CC=C6 1 5.723 1 2 0.899572140573256 4593062 CN1C(=O)C(=CN(C1=O)CC2CC(=NO2)C(=O)NCCOC)C#N 1 -1.754 5 5 0 -20.9482902458302 4593061 CN(C)S(=O)(=O)OC1=CC=C(C=C1)C(=O)OC 1 0.834 1 5 0 -7.73396451958108 4593060 CN1C(C(CO1)S(=O)(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)F)OC 1 4.154 1 5 -8.40161265675644 4593059 CC1=NN(C(=O)N1C2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.34 4 3 0 -0.944198001684154 4593005 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCS(=O)(=O)C3 1 3.3e-002 3 7 0 -25.6931363302757 4593003 CCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=C3CCN(CC3)C 1 2.193 5 2 0 -2.44713968185399 4592967 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CN=C3)Br 1 2.998 3 3 -8.96130346231669 4592936 COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S 1 3.35 4 3 0 -15.784177683299 4592903 CC(C)OC1=CC=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C 1 2.531 3 4 0 -10.4353142291138 4592832 C1=CC=C(C=C1)CSCCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S 1 3.647 3 2 -18.3640276605985 4592827 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C(=O)C4=CC=CC=C4NC3=S 1 3.242 4 2 -6.1836898683484 4592825 COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)NC2=S 1 3.584 3 3 -10.3882023868833 4592792 CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC=CC=C4)C5=CC=CC=C5 1 4.602 4 2 1.00163876802873 4592768 CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=C(C=CC(=C3)C)C 1 3.153 2 4 -13.9736992767156 4592764 CC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CCBr 1 4.061 1 1 1.68840066126193 4592654 C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCCC(=O)O 1 2.756 2 3 -27.1407102196787 4592650 C1=CC=C(C(=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)O)F 1 3.565 2 5 0 -1.01791241875852 4592649 CC1=CC=C(C=C1)OC2=CC=C(C=C2)OCC(=O)NC(CC(C)C)C(=O)O 1 4.117 1 5 -12.0208703618565 4592591 CCOC(=O)C(C)SC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 3.092 4 5 0 -20.5861423826536 4592510 CCCC(=O)NC(C)C1=NC2=CC=CC=C2N1C(C)C 1 3.205 3 1 -16.2608643332441 4592484 CCN(C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC)C(C)C 1 4 2 6 0 -17.3884840097354 4592449 COC1=CC=C(C=C1)OCCSC2=NN=C(N2N)C3=CN=CC=C3 1 2.175 5 2 0 -6.29977558861978 4592414 CC1=CC(=NNC2=CC=CC=C2[N+](=O)[O-])CC(C1)(C)C 1 3.949 3 2 -8.55165660901876 4592412 C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.855 2 4 -10.8688537744957 4592264 CC1CCCN(C1)C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC=CS3 1 2.831 3 2 -10.8353936166935 4591918 COC1=CC=CC=C1NC(=O)C2=CC=CC=C2C(=O)NC3=CC=CC=C3OC 1 3.366 2 4 -7.7382129444003 4591857 CC1=CC(=CC=C1)NC(=O)NNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 2.646 4 4 0 -7.47167963015315 4591815 CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3)C(=O)OC(C)C 1 1.812 1 8 0 -6.85140084072186 4591793 CCC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)C23CC4CC(C2)CC(C4)C3 1 4.646 1 4 -20.4112721812974 4591739 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCOCC4 1 3.546 3 2 -9.91717760145126 4591682 C1CC(CN(C1)C(=O)C2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.558 3 2 -1.42971096963159 4591676 CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CC4=CC=CC=N4)SC=C3 1 4.907 3 1 -21.055940182914 4591666 C1CCC(CC1)N2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C3=CC=CO3 1 2.554 3 4 0 -7.47763738491125 4591629 COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCN3CCCC3=O 1 0.935 4 4 0 -28.4001918946299 4591627 COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)OC)NC2=S 1 4.454 3 5 0 -14.8263618675017 4591614 CC1CC(NC(=S)N1CCCC(=O)NCC2=CC=CC=C2)(C)C 1 3.247 3 1 -18.8342435318864 4591612 CC1CC(NC(=S)N1CCCC(=O)NCC2=CC=C(C=C2)C)(C)C 1 3.733 3 1 -18.0194286271068 4591608 CC1CC(NC(=S)N1CCCC(=O)NC2=CC=C(C=C2)F)(C)C 1 3.445 3 1 -12.1249752853914 4591607 CC1CC(NC(=S)N1CCCC(=O)NC2=CC=CC=C2F)(C)C 1 3.445 3 1 -14.0917034578704 4591606 CCC1=CC=C(C=C1)NC(=O)CCCN2C(CC(NC2=S)(C)C)C 1 4.182 3 1 -13.0762904466358 4591603 CC(C)SC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCOC(=O)C 1 2.21 4 5 0 -3.81261593717966 4591501 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)NCC3CCCO3 1 2.968 2 3 -14.3565516727602 4591453 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2(CC2(Cl)Cl)C)S(=O)(=O)N3CCOCC3 1 1.36 2 6 0 -18.6995063593375 4591389 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=C4CCCC4=NC5=CC=CC=C53 1 3.149 4 4 0 -17.5340322365397 4591261 CC1=CC=C(C=C1)N(CC(=O)NN=CC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.564 4 3 0 -13.571113715906 4591220 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CC3CC4CCC3C4 1 2.828 3 5 0 -11.3351548714948 4591140 CC1=CC(=C(N1CC2CCCO2)C)C3=NN=C(SC3)NCCC4=CC=CC=C4 1 4.001 4 1 -14.4831202769517 4591113 COC1=CC=C(C=C1)C(=O)NN2CCOCC2 1 0.423 2 3 0 -8.09949349148049 4591089 CC(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 -0.363 4 6 0 -18.6055025372177 4590984 C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OCC(=O)C3=CC=CN3)Cl)Cl 1 2.459 2 6 0 -17.4203806432563 4590929 CC(C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)F)F)N3C(=O)C4CC=CCC4C3=O 1 2.91 3 3 -2.67763959630184 4590895 C1COCCN1C2=NC(=O)C(S2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 1.778 4 5 0 -13.4161271663805 4590879 CC1=C(C=C(C=C1)NC(=O)NCC2=CN=CC=C2)C 1 2.351 3 1 -7.26385163568647 4590799 COC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=CC(=C2)OC)OC 1 3.225 3 4 0 -11.3759255825274 4590763 CCCCC(C(=O)OCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)NC(=O)C4=CC=CC=C4 1 5.372 2 4 -14.7724091480567 4590760 CC(C1=CC=CC=C1)NC(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O 1 2.279 3 3 -10.7610138723414 4590725 CC1(CC1(Cl)Cl)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.538 2 6 0 -19.5417022248525 4590670 CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)O)SC4=CC=CC=C4C2=O 1 4.808 1 3 -0.244382152905828 4590614 CC1=CC(=C(C=C1)NC(=O)C2C(C2(Cl)Cl)C3=CC=CC=C3)C 1 4.398 1 1 -1.52863883506482 4590454 CCCC(=O)NC1=C(C=CC(=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C 1 3.292 1 5 -18.9196374855074 4590452 CCCC(=O)NC1=C(C=CC(=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.47 1 5 -17.0976387949205 4590386 CC1CC(CN(C1)C(=S)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C)C 1 3.294 3 4 0 -28.072955976207 4590350 COC1=C(C(=C(C=C1)C=NNC(=O)CNC2=CC=C(C=C2)Br)C(=O)O)OC 1 2.689 3 5 0 -11.3403724164967 4590313 CSC1=NCCN1C(=O)C2=CC=CO2 1 1.703 2 2 0 -5.76932138723412 4590252 COC1=CC=C(C=C1)CCC(=O)NC2CCCCC2 1 3.371 1 2 -10.1650647641501 4590251 COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4CCCO4)OC 1 3.497 2 4 -14.5430772343307 4590184 CC1CCCN(C1)CC2=C(N3C(=CC(=NC3=N2)C)C)Br 1 3.258 4 0 2.50557567036234 4590151 CN(C)C1=CC=C(C=C1)NC(=S)N(CCC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=C(C=CC=C4Cl)Cl 1 7.139 4 2 -12.1275597630988 4590028 CCNC(=O)NC(=O)C(C)OC(=O)C1=C(C2=CC=CC=C2O1)CSC3CCCCC3 1 4.36 2 5 0 -7.41105929176243 4590022 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NN=C(C)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.807 4 5 0 -15.275282296215 4590018 CC1=C(C(=CC=C1)C)NC(=S)N(CC2=CC=CC=C2)CP(=O)(OC)OC 1 4.9 2 3 -12.6742313269006 4589876 COC1=CC=C(C=C1)C(CC(=O)NC2=CC=C(C=C2)OC)C3=CC=C(C=C3)F 1 4.562 1 3 -6.17519749225035 4589822 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 2.515 2 5 0 -8.65957584367804 4589689 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CC3=NNC(=O)C4=CC=CC=C43)Cl 1 2.3 4 4 0 -13.4028475738268 4589687 C1CN(CCC1C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 1.99 2 3 0 -10.032445935279 4589681 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 1.79 4 4 0 -21.0584187200006 4589666 C1COC(=CO1)C2=NN=C(O2)NC(=O)C3=CC(=CC=C3)C(F)(F)F 1 1.311 3 4 0 -2.99441337243359 4589624 C1CCC(CC1)OC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.573 0 4 -11.246548020057 4589550 CC1CCCCC1=NNC(=S)NC2=CC=CC=C2 1 4.273 3 0 -8.1114063546015 4589549 CC(C)CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C 1 1.729 4 4 0 -11.4029684136126 4589449 C1C(CC(=O)C2=CN=C(N=C21)NC(=O)C3=CC=CO3)C4=CC=CO4 1 1.749 3 4 0 -18.803840012829 4589330 C=CCNC(=O)NC(=O)COC(=O)CC(C1=CC=C(C=C1)Cl)NC(=O)N 1 0.852 4 5 0 -15.141309233314 4589322 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(C(=O)N2N)C)Cl 1 1.847 5 2 0 -14.2488295317757 4589295 C1=CC=C(C=C1)N2C(=O)C(SC2=O)CC(=O)NC3=CC=C(C=C3)Br 1 3.596 2 3 -8.38607268770718 4589235 C1CCC(CC1)C(C2=CC=CC=C2)C3=NNC(=S)O3 1 4.745 2 1 -5.09728385870984 4589216 COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=N4)SC=C3)OC 1 3.441 4 4 0 -29.6637075445472 4589156 C1CS(=O)(=O)CC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 2.678 2 3 -13.2798093435376 4589068 C1=CC(=CC(=C1)F)NC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N 1 2.018 6 3 0 -0.508841236540392 4589025 CC1=CC=CC=C1C2C3=C(CCCC3=O)NC(=S)N2 1 3.076 2 1 -22.7836393437253 4588982 CN1C(=CC(=O)N(C1=O)C)OC2=CC=CC=C2NCC3=CC(=CC=C3)Br 1 3.782 3 3 -6.50327455712734 4588944 CC(=NNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC=NC=C2 1 1.88 3 2 0 -4.33381165570819 4588891 CC(C)(C)C1=NN(C(C1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.948 3 2 -1.86416540472358 4588832 CC1=C(C=C(C=C1)OCC(=O)NNC(=S)NC)C 1 2.227 3 2 -11.0332413541773 4588791 CC(=NNC(=O)C(C1=CC=CC=C1)O)C2=CC=C(S2)Br 1 2.567 2 2 -10.1602658012317 4588672 CC(C1CC2CCC1C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 3.559 3 3 -23.2177668562744 4588656 CCOC(=O)NCC1=CC2=C(C=C1)NC(=C2)C 1 2.388 2 2 -5.54201583696493 4588640 C1=CC(=CC(=C1)Cl)N2C(=O)C3=CNNC3=NC2=S 1 1.681 4 1 0 -0.745067158022584 4588549 CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3 1 1.58 6 1 0 -18.5335048342963 4588471 CCOC1=CC=C(C=C1)C2CC(=O)NC2=O 1 1.034 1 3 0 -7.82659881038608 4588426 COC1=CC(=C(C=C1)OC)C2C=C(NC(=S)N2)C34CC5CC(C3)CC(C5)C4 1 4.63 2 2 -3.62012067263068 4588371 CN(C1=NS(=O)(=O)C2=CC=CC=C21)N=CC3=CC(=C(C(=C3)OC)OC)OC 1 2.421 3 5 0 -6.76911890570459 4588152 CC(=NNC(=O)CNC(=O)C1=CC=C(C=C1)Cl)CC2=CC=CC=C2 1 2.413 3 2 -12.0688315715186 4588141 CC(C)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.283 4 4 0 -26.6521593695469 4588130 C1=CC2=NSN=C2C(=C1NCCCCCC(=O)O)[N+](=O)[O-] 1 2.624 4 4 0 -7.00691723129864 4588070 CCCCN1C2=CC=CC=C2C3(C1=O)NNC4=CC=CC=C4O3 1 3.429 3 2 -4.27658894249038 4588042 C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)N5C(SCC5=O)C6=CC=C(C=C6)F 1 4.735 3 1 -7.49114726249279 4587907 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3 1 2.274 3 5 0 -24.6126037858249 4587823 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)S(=O)(=O)C5=CC=CC=C5)C=C1 1 1.698 4 4 0 -28.615211869018 4587819 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4 1 2.409 2 4 -12.5968438429661 4587649 CC(=NNC(=O)OCC1=CC=C(C=C1)OC)CC(=O)NC2=NC=C(C=C2)Cl 1 2.554 4 4 0 -5.11988192753029 4587627 CN(C)C(CNC(=O)CC1=CC=C(C=C1)Br)C2=CC=CC=C2 1 3.572 2 1 -7.61665639208533 4587581 COC1=CC=C(C=C1)S(=O)(=O)NC2(C(=O)NC(=N2)C3=CC=CC=C3)C(F)(F)F 1 2.71 3 4 0 -4.0753112541985 4587577 CCOC(=O)C1=C(N2C(=O)C(SC2=C(C1C3=CC(=CC=C3)OC)C(=O)OC)C)N 1 2.146 2 6 0 -15.1091790050299 4587576 CCOC(=O)C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Cl 1 3.061 2 6 0 -2.91084557834289 4587566 CC1=CC(=C(C=C1)OCC(=O)NN=C(C)CC(=O)NC(C)(C)C)Br 1 2.38 3 3 -12.0701999768655 4587533 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(C3=CC=CC=C3)O 1 3.811 1 3 -7.6052854397247 4587496 CCOC(=O)NN=CC1=CC=C(C=C1)OC2=CC=CC=C2 1 3.571 2 3 -4.11113627135494 4587433 CC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NCC3=CC=CO3 1 3.224 3 2 -8.50929476845231 4587425 CC(C)N1CCC2(CC1)C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3 1 -0.698 3 2 0 -5.02587364461559 4587398 CN(C)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 1.312 3 7 0 -8.57539833109568 4587396 C1C(C1(Cl)Cl)(C2=CC=CC=C2)C(=O)NC3=NC=CC(=C3)Cl 1 3.447 2 1 -0.944216844803451 4587302 COC(=O)C(C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)(C(F)(F)F)O 1 2.822 1 4 -8.10572231637109 4587300 CNC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=CC=CC=C3NC2=O 1 2.21 4 3 0 -13.1688083067159 4587278 COCCNC1=NC=NC2=C1NC3=CC=CC=C32 1 1.717 4 1 0 -1.45448998727228 4587269 CC(C)OCCCNC(=O)C(=O)NN=CC1=CC=C(C=C1)OCC2=CC=CC=C2 1 2.598 3 4 0 -15.8353979342917 4587212 CN(C)C(CNC(=O)CCC(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2 1 3.492 2 2 -9.63056075128405 4587189 CC(=NNC(=O)CNC(=O)C1=CC(=CC=C1)F)C2=CC=CO2 1 1.324 3 3 0 -10.6648406243335 4587086 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CO3)C 1 2.476 2 4 -25.1156333870093 4587062 CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C(=O)OCC 1 2.309 4 6 0 -29.1440633776193 4587041 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(O3)Br 1 2.775 2 6 0 -21.925352467853 4586919 CC1=NC=C2COC(OCC2=C1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C)C 1 1.814 2 6 0 -8.65964799659632 4586826 C1CN2C(N(C(=S)N2C1)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 4.402 3 0 -2.12385442358902 4586819 CCN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC3=NSN=C32 1 3.205 3 2 -5.77799501941926 4586775 CC(=NNC1=NC(=O)CC(S1)C(=O)O)C2=CC=CC=C2 1 1.796 3 3 0 -10.5308637922592 4586733 CCCC(=O)NC1=C(C(=C(S1)C)C2=CC=C(C=C2)C(C)CC)C#N 1 5.053 2 1 -14.7487075100736 4586692 CCOC1=C(C=C(C=C1)C2C3(C(=N)OC4(O2)CCCCC4C3(C#N)C#N)C#N)OC 1 2.433 4 4 0 -6.73701988825173 4586649 CC1=C(C(=C(C=C1)C(CC(=O)N2CCCCC2)C3=CC=CC=C3)O)C 1 4.666 1 2 -6.34721662836527 4586647 CN(C)C1=CC=C(C=C1)P(=O)(C(C2=CC=CC=C2F)O)OCC3=CC=CC=C3 1 4.42 1 3 -5.92217438993865 4586610 CCOC1=CC=CC(=C1)N2C(=O)CC(C2=O)NNC(=O)C3=CC=C(O3)Br 1 1.537 3 5 0 -9.91272810543527 4586415 CC1=C(SC(=C1C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCOCC3)NC(=O)C4=CC=CO4)C 1 3.752 2 6 0 -12.7792509798207 4586411 CC1=C(SC(=C1C(C2=CC(=C(C=C2)OC)OC)N3CCOCC3)NC(=O)C4=CC=CO4)C 1 3.768 2 5 0 -13.0589167877622 4586408 CC1=C(SC(=C1C(C2=CC(=CC=C2)OC)N3CCOCC3)NC(=O)C4=CC=CO4)C 1 3.785 2 4 -9.86470515814241 4586404 CCOC1=CC=C(C=C1)C(C2=C(SC(=C2C)C)NC(=O)C3=CC=CO3)N4CCOCC4 1 4.134 2 4 -10.7670698778375 4586304 C1=CC=C(C=C1)CN(CC(C(F)(F)F)O)C(=O)NC2=CC=CC=C2 1 3.232 2 2 -6.03323210501455 4586303 COC1=C(C(=NC=C1)N=CNOCC2=CC=C(C=C2)Cl)C#N 1 1.83 4 2 0 0.632699927879137 4586270 CC1=C(SC(=C1C(C2=CN=CC=C2)N3CCN(CC3)CCO)NC(=O)C4=CC=CO4)C 1 2.381 4 3 0 -9.61241735935751 4586109 C1=CC=C(C=C1)CN(C2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CSCC(=O)O 1 5.456 2 3 -3.40795563643659 4586138 C1=CC(=CC(=C1)C(F)(F)F)COC2=COC(=CC2=O)CO 1 1.641 0 4 0 2.32242423709996 4586136 C1CCN(CC1)CC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=C(C=C4)Cl 1 5.052 3 0 2.7487936836466 4586134 C1=CC(=C(C(=C1)F)C(=O)C2=CNC(=C2)C(=O)C(Cl)(Cl)Cl)F 1 4.448 1 2 -2.83314898242782 4586131 CC1(CC2=C3C4=C(C(=NC=N4)NCCN(C)C)SC3=NC(=C2CO1)N5CCCC5)C 1 3.227 6 1 0 -10.5689434631472 4586080 CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC=CC=C3[N+](=O)[O-] 1 2.659 7 2 0 -8.00799537375102 4586044 CCN1CCN(CC1)C(C2=CN=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CO4 1 3.269 4 2 -12.0309378776333 4586035 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F 1 0.158 4 4 0 -17.6021298854971 4586020 CC1=C(C(=NC2=C(C=NN12)C(=O)NCC(OC)OC)C)CC3=CC=CC=C3 1 1.788 4 3 0 -21.6197749062355 4585969 CC(C1=CC=CC=C1)NC(=O)CCN2C(=O)C3=C(C=CS3)NC2=S 1 3.364 3 2 -17.6263280592393 4585965 COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCC(=O)O)SC=C3)OC 1 2.523 3 6 0 -35.4680296845325 4585963 CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCC(=O)O)SC=C3 1 3.498 3 4 0 -31.1387895161305 4585959 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCC(=O)O)SC=C3 1 2.888 3 5 0 -32.0785407412036 4585955 C1CC(CCC1CN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Br)C(=O)O 1 3.76 4 4 0 -34.287659223235 4585855 CC1CCCC(=NNC(=S)NC2=CC=CC=C2)C1 1 4.062 3 0 -9.95798138140908 4585845 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SC(C)C(=O)O 1 3.645 4 3 0 -13.475498101561 4585844 CC(C)N=C(NC#N)SCC1=CC=C(C=C1)Br 1 3.826 3 0 -4.00347702850213 4585736 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)O)OC3=NC(=NC=C3F)Cl 1 4.155 4 4 0 -4.71241840286703 4585680 CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4 1 2.136 3 5 0 -7.7233146380009 4585635 CCCCCOC1=CC=C(C=C1)NC(=O)C2C3C(C4C(O2)OC(O4)(C)C)OC(O3)(C)C 1 2.007 1 7 0 -20.1286456132495 4585579 CN1C(=NC(=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.341 3 0 3.20392749601451 4585573 CCC(C)NC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N 1 2.304 6 2 0 -6.89392605337796 4585512 CC(=NNC(=O)CNC(=O)C1=CC=CC=N1)C2=CC=CC=C2 1 1.001 4 2 0 -17.1452209045584 4585479 C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Br)C(=O)COC3=CC=C(C=C3)F 1 3.124 1 4 -12.0647653091249 4585465 C1C(OC2=C(N1S(=O)(=O)C3=CC=CS3)C=C(C=C2)CC(=O)O)C(=O)O 1 1.393 1 7 0 -13.4927828329745 4585437 C1C(=O)N(CS1)C2=CC(=C(C=C2)Cl)Cl 1 2.767 1 1 -2.65996852298844 4585409 CC1=CC=C(C=C1)N2C3C(C(=N2)C(=O)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5OC 1 4.487 3 4 0 -7.64703053729436 4585338 CC1=NN=C2C1C(C(C(C2)(C)O)C(=O)C)C3=CC=C(C=C3)Br 1 1.893 2 2 0 -5.96351417420229 4585311 CC1=C(C=C(C=C1)C(=O)COC(=O)C(CCSC)N2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl)C 1 4.938 1 5 -19.0776174067404 4585276 CC1C(=CC2=CC=CC=C2O1)C=NNC(=O)C3=CC=NC=C3 1 1.967 3 2 0 -5.43648090671523 4585243 C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3Cl 1 4.268 1 2 -8.08695387933414 4584992 C1COCCN1CCCNC(=O)C(=O)NN=CC2=CC=CC=C2 1 0.261 4 3 0 -12.7265651562824 4584962 CC1=CCCC2C(C=C(CC1)C)OC(=O)C2CN3CCCCC3 1 4.512 1 2 1.23035538990055 4584952 CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CCC2 1 1.199 4 4 0 -21.6085105976834 4584936 CC(C1CC2CCC1C2)NS(=O)(=O)C3=CC=CC=C3 1 2.983 1 2 -8.06731437129526 4584900 CC1=CC=C(C=C1)N2C3C(C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=CC=C4OC 1 2.939 3 5 0 -8.27874061540384 4584846 COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C(=N)N(C=N5)CCO 1 3.417 3 3 -0.355526189437434 4584833 CC(=O)N(C)C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O 1 2.451 1 2 -4.82914007522536 4584813 CC1=CC(=CC=C1)S(=O)(=O)C2=C(C=C(NC2=O)C)C 1 1.929 1 3 0 -13.443233347033 4584810 CCOCCN1C(=O)C2=C(N=C3N2CCCN3CC4=CC=CC=C4)N(C1=O)C 1 1.666 5 3 0 -13.4468735066826 4584726 COC1=CC=C(C=C1)N(CN2C(=O)C3CCCCC3C2=O)C(=O)C4=CC=CO4 1 2.879 2 5 0 -8.78748917850023 4584673 C1=CC=C(C=C1)NC(=O)NNC2=NC3=CC=CC=C3S2 1 2.533 4 1 0.294976670501954 4584595 C1CN(CCC12OCCO2)C(C3=CC=CS3)C4=C(N5C(=NC=N5)S4)O 1 2.542 4 3 0 -6.26454002399371 4584586 CC1=C(C=C(C=C1)N2C(=O)C3C4CC(=O)C(C3C2=O)C5=CC=CC=C45)C 1 2.954 1 3 -3.66668606376676 4584575 CC(C)NC(=S)N1C=C(C=N1)C(=O)C2=CC(=CC(=C2O)Cl)Cl 1 4.57 3 2 -4.40802389074745 4584503 CC1=CC=CC=C1NC2(C3=CC=CC=C3NC2=O)C#N 1 2.557 3 1 -7.60865281706875 4584499 C1CN(CC2=C1NC3=C2C=C(C=C3)F)C(=S)NCC4=CC=CC=C4 1 4.939 3 0 -5.1582463106462 4584497 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=CC=C3)OC)C 1 2.931 4 3 0 -0.167154357233755 4584398 CN1C2=C(C=C(C=C2)Cl)C=C1C(=O)NC3=CC=C(C=C3)Cl 1 4.734 2 1 2.28202425183409 4584321 CCCOC1=CC=C(C=C1)C2=NC(=C(O2)NCCCN3C=CN=C3)C#N 1 2.553 5 2 0 2.01639790722501 4584216 C1CN(C(C2=CC=CN21)C3=CN=CC=C3)C(=S)NC4=CC=C(C=C4)Br 1 5.144 4 0 -13.6442438854631 4584135 CC1=C(C(=CC=C1)N2CCN(CC2)CC(COCC3=CC=CS3)O)C 1 3.603 2 2 0.956915510554168 4583974 C1CC(OC1)CNC(=O)CNC(=O)C2=CC=CO2 1 -0.149 2 4 0 -17.5595222496531 4583869 C1CN(C(C2=CC=CN21)C3=CN=CC=C3)C(=S)NCCC4=CC=CC=C4 1 4.446 4 0 -15.7664678876281 4583868 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4C5=CC=CC=C5)SCC6=CC=CC=C6 1 5.519 4 1 -16.7277315076716 4583592 C1=CC=C(C(=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC=CO3)Cl 1 4.91 3 1 -11.4516930812194 4583474 CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C 1 2.336 4 4 0 -8.08135615243402 4583433 CCOP(=O)(NC(=NC(C)C1=CC=CC=C1)NC(C)C2=CC=CC=C2)OCC 1 3.848 3 3 -7.89784509747608 4583352 CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=C(C=CS3)NC2=O)C 1 2.58 3 3 -12.2750600331365 4583351 CC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=C(C=CS3)NC2=O 1 2.094 3 3 -12.0271452184964 4583349 CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=C(C=CS3)NC2=O)F 1 2.3 3 3 -10.2837378925062 4583348 C1=CC(=CC=C1NC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=O)F 1 2.135 3 3 -11.9415374038186 4583251 CCC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)C)C(=O)N 1 -0.109 3 3 0 -12.7872728139562 4583212 CCCC(=O)NC1=NC2=C(S1)COC3=CC=CC=C32 1 2.832 2 2 -6.59031604131138 4583188 CC1=C(NC2=C1C(=O)CC(C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCCOC 1 3.052 1 7 0 -16.6479244051916 4583185 CC1=C(C(=CC=C1)N(C2=NC(=CS2)CCl)C(=O)C)C 1 3.517 2 1 -2.54783920413265 4583155 CC1=CC(=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C(C)C)C 1 2.904 3 3 -10.7327948329308 4583093 C=CCN(CC=C)C1=C(C=C(C=C1)N2C(=O)C3CCCCC3C2=O)[N+](=O)[O-] 1 3.746 3 4 0 -10.6832567897427 4582956 CC1CCC(CC1)NC(=O)CN2C3=C(CCC3)C(=CC2=O)C4=CC=CC=C4Cl 1 4.307 2 2 -12.5498124547155 4582954 C1CC2=C(C1)N(C(=O)C=C2C3=CC=CC=C3Cl)CC(=O)NCCCN4CCOCC4 1 2.085 3 3 -14.5586836465394 4582947 C1CC(OC1)CNC(=O)CN2C3=C(CCC3)C(=CC2=O)C4=CC=CC=C4Cl 1 2.555 2 3 -16.6024271253221 4582945 CCCCNC(=O)CN1C2=C(CCC2)C(=CC1=O)C3=CC=CC=C3Cl 1 3.525 2 2 -14.4660890936652 4582891 CC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)OC 1 3.568 3 2 -5.59136119362203 4582890 CC1=CC(=C(C=C1C)S(=O)(=O)NCC(=O)O)C 1 1.681 1 4 0 -8.10613460203806 4582830 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)SC4=CC=CC=C4[N+](=O)[O-] 1 4.318 3 2 1.1687608316667 4582797 C1=CC=C(C=C1)CC(=O)NCC(=O)NN=CC2=CC=C(C=C2)Cl 1 2.442 3 2 -11.3626694343888 4582778 COC1=CC=CC=C1N=C2C(=C(C(S2)C(=O)NC3=C(C(=CC=C3)Cl)Cl)N)C(=O)N 1 2.633 4 3 0 0.385566030545442 4582762 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)N)N=C2C4=CC=CC=C4 1 4.19 3 1 -0.501752808850822 4582696 COC1=CC=C(C=C1)CNC(=O)C2=CN=C3N(C2=O)CCS3 1 1.214 3 3 0 -15.3774782569221 4582692 CCCCC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)[N+](=O)[O-] 1 2.276 4 5 0 -11.1211340714317 4582677 CCC1C(=O)N(C2=CC=CC=C2S1)CC(=O)NCCC3=CCCCC3 1 3.779 2 2 -13.2885171599638 4582595 CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCC3=CC=C(C=C3)F 1 2.988 3 2 -7.96585370747629 4582586 CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCC4(CC3)OCCO4 1 1.47 3 4 0 -8.34816192849897 4582579 CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C 1 4.185 4 2 2.11332193398529e-002 4582563 CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NCC4=CC=CC=C4 1 3.644 4 2 -15.1454769083659 4582524 CC1=CC=C(O1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 0.536 4 2 0 -0.376935846516233 4582521 CC1=CC2=C(N1C)C=CC(=C2)CNC(=S)NC3=CC=C(C=C3)OC(F)F 1 5.546 3 1 -5.92217988334829 4582468 CC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C)S(=O)(=O)N3CCOCC3 1 1.185 3 4 0 -21.2737738996885 4582467 CCCC1=CC(=O)N=C(N1)SCC(=O)N2C(CCCC2C)C 1 2.885 3 2 -18.13698854672 4582436 CC1=CC(=CC(=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)N4CCOCC4)C 1 3.653 3 3 -19.714964838368 4582405 C1C=CC2C1CC2=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.404 4 4 0 -2.38190650723135 4582369 C1CC(OC1)CNC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4 1 3.146 3 3 -23.9150002191881 4582333 CC(C)CCNC(=O)CN1C2=C(CCC2)C(=CC1=O)C3=CC=CC=C3Cl 1 3.777 2 2 -16.0215733237147 4582299 C1=CC(=CC=C1CNC(=O)CCN2C(=O)C3=C(C=CS3)NC2=O)F 1 1.82 3 3 0 -16.4978445092813 4582250 CCC1=CC=C(C=C1)NC(=O)CON=C(C)C2=CC3=CC=CC=C3O2 1 3.85 2 3 -0.417998385473404 4582216 CC(=O)NC1=CC(=CC=C1)OC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4 1 3.85 3 2 -0.382318626674153 4582211 CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC(=C(C=C2)O)OC 1 2.691 2 5 0 1.4753632078471 4582189 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3COC4=CC=CC=C4O3 1 2.052 3 6 0 -14.8125987873959 4582109 CN(C)CC1CCCCC1OC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 4.014 2 4 -9.61829199823915 4582017 COC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC(=C(C(=C2)Cl)O)Cl 1 3.64 1 4 -3.45051436211206 4581954 C1CN(C(=N1)SCC2=CC=C(C=C2)F)C(=O)CC3=CC=CS3 1 4.085 2 1 -13.3395062665585 4581953 C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CC3=CC=C(C=C3)F 1 3.558 3 3 -19.3468318324915 4581853 CN(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2C5=CC=CC=C5 1 3.55 5 4 0 -27.7329801455954 4581850 CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)OC 1 4.699 3 3 -9.53222949648063 4581771 CCC1=CC=C(C=C1)CNC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)C 1 3.649 2 2 -15.4013593770963 4581708 C1CCCC(CCC1)N2CC(CC2=O)C(=O)NCC3=C(C=C(C=C3)F)Cl 1 3.957 2 2 -15.5972472753057 4581707 COC1=CC=CC(=C1)CNC(=O)C2CC(=O)N(C2)C3CCCCCCC3 1 3.07 2 3 -16.2401588717771 4581704 COC1=C(C=C(C=C1)CCNC(=O)C2CC(=O)N(C2)C3CCCCC3)OC 1 2.463 2 4 -20.4867657342394 4581572 C1CC(OC(C1)N2C=NC3=C2NC=NC3=S)CO 1 0.512 4 2 0 -5.64057640323566 4581219 CCC(CO)NC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)OC 1 1.897 5 2 0 1.52837499398395 4581175 COC1=CC(=CC(=C1OC)OC)CN2CC(=O)N(C2=S)C3=CC=CC=C3Cl 1 4.45 2 4 -8.21314839679198 4581173 COC1=C(C=C(C=C1)Cl)N2C(=O)CN(C2=S)CC3=CC(=C(C(=C3)OC)OC)OC 1 4.434 2 5 0 -8.06102991073364 4581172 CC1=C(C=C(C=C1)Cl)N2C(=O)CN(C2=S)CC3=CC(=C(C(=C3)OC)OC)OC 1 4.936 2 4 -7.03465691529027 4581171 CCC1=CC=CC=C1N2C(=O)CN(C2=S)CC3=CC(=C(C(=C3)OC)OC)OC 1 4.728 2 4 -10.2255546525431 4581170 CCC1=CC=C(C=C1)N2C(=O)CN(C2=S)CC3=CC(=C(C(=C3)OC)OC)OC 1 4.728 2 4 -9.80918637092935 4581152 CN1CCN(CC1)CCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])OC(F)F 1 1.93 5 4 0 -2.23843984733191 4581082 CC1=CSC2=NC=C(C(=O)N12)C(=O)NCC3=CC4=C(C=C3)OCO4 1 0.915 3 4 0 -15.9709761877195 4581041 C1=CC=C(C=C1)OCC(=O)NC2=NN=C(O2)C3=CC=CO3 1 1.686 3 4 0 -4.08737164020581 4580960 CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=O)C(C)C 1 2.762 2 2 -14.6612492008142 4580904 CC1=CC(=CC=C1)NC(=O)NCC2=CC3=C(C=C2)N(C(=C3)C)C 1 3.66 3 1 -3.93867863300447 4580890 CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 1.176 4 3 0 -20.2204759096632 4580843 CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=NNS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-] 1 4.861 4 4 0 -6.94692485781606 4580816 C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)CN3C(=O)CCC3=O 1 0.678 3 4 0 -18.3329048195769 4580688 CC1=C(C=C(C=C1)C(=O)NN=CC2CCC=CC2)[N+](=O)[O-] 1 2.973 3 3 -7.98481563849883 4580669 CC1=CC=CC=C1NC2=C(N=C3N2C=CC=N3)C4=CC=C(O4)C 1 4.248 4 1 1.4959014052329 4580668 C1=CC=C2C=C(C=CC2=C1)NCCNC(=O)C3=CC=CN4C3=NC5=C(C4=O)SC=C5 1 2.825 4 2 -18.9535285640933 4580576 CC1=NC(=CC=C1)NC(=O)CN2C3=CC=CC=C3OC2=O 1 1.853 3 3 0 -4.38749139669851 4580528 CC(=NNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=CO2 1 1.847 4 6 0 -7.27639200691336 4580516 CCC(=O)NC1=CC2=NN(N=C2C=C1C)C3=CC=C(C=C3)C 1 3.931 4 1 -6.85681309013381 4580500 C1C(=O)NC2=C(C=C(C=C2)F)C(N1C(=O)C3=CC=CC=C3F)C4=CC=C(C=C4)F 1 3.862 2 2 -18.2698522744456 4580470 C1CCC(CC1)C2CCCCC2=NNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-] 1 3.94 4 4 0 -10.9663512226087 4580330 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=C(C(=C4C#N)CC#N)C#N)N 1 1.533 7 2 0 -1.98477016852446 4580311 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Br 1 3.671 4 3 0 -19.9868057132599 4580288 CC1=C(C=C(C=C1)N2C(=O)CC(CC2=O)(C)C)Cl 1 3.054 1 2 -5.68988303447172 4580232 CC1(CC(=NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)CC(=O)C1)C 1 1.24 3 4 0 -18.177298044348 4580080 COC(=O)C1=NNC(C1C2=CC=CC=C2)C(=O)C3=CC=CO3 1 1.881 2 4 0 -6.99317604276224 4580065 C1=CC(=CN=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)C4=CC=CO4 1 1.752 5 3 0 -6.3203341389514 4579924 CC1=CC(=C(N1C2=CC=CC=C2)C)C3=NN=C(SC3)NC4CC4 1 3.804 4 0 -5.89349875779634 4579871 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)N4CCCC4 1 2.026 3 5 0 -19.7483596348976 4579865 CCC(=NNC(=O)CNC(=O)C1=C(C=C(C=C1)Cl)Cl)CC2=CC=CC=C2 1 3.744 3 2 -9.74899996471077 4579681 CC(=NN=C1N(C2=CC=CC=C2S1)C)C3=CC=C(C=C3)N4CCOCC4 1 3.84 4 1 -3.66125384697418 4579658 CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CS3)C(=O)N 1 1.908 4 4 0 -26.06888928828 4579617 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NN=CC3=C(C=CC=C3F)F 1 3.966 4 3 0 -19.4234553176497 4579512 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4F)C 1 4.03 3 4 0 -12.3305196568998 4579441 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3 1 2.471 2 7 0 -18.3332732759387 4579365 C1COC(=CO1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F 1 3.561 1 5 -14.6192144457469 4579255 C1COCCN1C2=NC(=C(S2)C=NNC(=O)C3=CC=CC=C3Cl)C4=CC=CC=C4 1 3.813 4 2 -1.57639265315854 4579221 COC1=C(C=C(C=C1)Cl)NC(=O)CN2CCC3=CC=CC=C3C2 1 3.262 2 2 -8.68333079705873 4579209 CCOC(=O)C1=C(N(C(=C1C)C=NNC2=CC=CC=C2)C)C 1 3.875 3 2 -2.72975107777436 4579084 C1CC(C2=CC=CC=C2C1)NC(=O)COC3=C(C=C(C=C3CO)Br)CO 1 3.012 1 4 -6.74357236467163 4579040 C1CCC(CC1)(C(=O)NC2CCCC2)N(CC3=CC=CO3)C(=O)C4=NC=CN=C4 1 2.526 4 3 0 -22.0320170297108 4578939 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43 1 1.776 5 3 0 -24.3698246115554 4578894 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.803 3 5 0 -12.9495431799704 4578840 C1=CC(=CC=C1C(C2=C(N=CNC2=O)O)C3=C(N=CNC3=O)O)F 1 0.781 4 4 0 -5.53954942620911 4578832 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3CCOCC3)[N+](=O)[O-] 1 1.456 4 5 0 -18.1719186014018 4578783 CC1=CC(=C(C=C1)OC)N(CC(=O)NN=CC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3 1 3.328 3 6 0 -15.1796322173859 4578621 CC1=CC2=C(C3=C(CCCC3)N=C2C=C1)C(=O)OCC(=O)N(C)C4CCS(=O)(=O)C4 1 2.651 2 5 0 -16.1132564637681 4578555 C1CCC(CC1)NC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43 1 3.982 3 2 -8.17919340484719 4597056 CC1=NN=C(S1)SCC(=O)NC2=C(N=CC=C2)Cl 1 1.465 4 1 0 -17.228282984635 4597025 C1CCC(CC1)(C(=O)NC2=CC=CC=C2)N(CC3=CN=CC=C3)C(=O)C4=CC=CC=C4 1 4.241 3 2 -13.2000171602842 4596984 CN(C)CCCNC1=NC=NC2=C1C(=CN2C3=CC=CC=C3)C4=CC=CC=C4 1 3.921 5 0 4.17632092868265 4596978 CCC(=O)NC1=NC(=CS1)C2=CC(=CS2)[N+](=O)[O-] 1 2.409 3 3 -2.54950810480027 4596972 COC1=CC(=CC2=C1OCO2)C=NNC(=O)C3=CC=NC=C3 1 1.284 3 4 0 -7.19926250385569 4596967 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4F 1 3.274 2 7 0 -17.8036774310057 4596888 COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])OC 1 2.88 1 7 0 -11.4751244839213 4578322 CC1=CC=C(C=C1)C(C(CN2C=NC=N2)C(=O)C3=CC=CC=C3)SC4=CC=C(C=C4)C 1 5.986 3 1 -6.05927448222508 4578281 CC(=O)NC1=CC=C(C=C1)NC2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-] 1 2.987 4 4 0 -9.95649842400156 4578247 C1=CC=C2C(=C1)C(=C(N2)O)C(=O)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-] 1 2.776 3 5 0 -1.98485799785099 4578120 CC1CCC2=C(C1)SC(=C2C(=O)OC)NS(=O)(=O)C3=CC=C(C=C3)C 1 4.08 1 4 -15.7972177128608 4578108 C1=CC2=C(C=C1C(=O)NC3=CC4=C(C=C3)C(=O)NC4=O)SC=N2 1 1.524 3 3 0 -12.293791515619 4577945 CC1=NO[N+](=C1COC2=C(C=C(C=C2)C=NNC3=NN=CN3N)OC)[O-] 1 -2.613 8 4 0 -9.5536215956053 4577870 CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=NC4=CC=CC=C4N3C)[N+](=O)[O-] 1 4.298 4 5 0 -5.89078289485345 4577863 C1C(=NN(C1(C(F)F)O)C(=O)C2=CC=C(O2)COC3=CC=CC=C3Br)C(F)F 1 3.67 2 4 -4.4970019381702 4577766 CN(C)N1C2=C(C(C(=C1N)C#N)C3=C(C(=CC=C3)OC)OC)C(=O)CCC2 1 1.215 4 3 0 -21.369904944647 4577762 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(SCC3=O)C4=CC(=C(C=C4)OC)OC 1 2.299 3 4 0 -22.9091932459629 4577599 C1CCC(=NNC(=O)COC2=CC=CC=C2C3=CC=CC=C3)C1 1 3.305 2 2 -6.3764054677632 4577554 CCN1C=CC(=N1)C(=O)NC2=C(N(N=C2C)CC3=C(C(=C(C(=C3F)F)F)F)F)C 1 3.73 5 1 -11.2080474919159 4577500 C1=CC=C2C(=C1)C=NN=C2SCC3=CN4C=CC=CC4=N3 1 2.74 4 0 -2.45802473842015 4577470 CC1CCC2=C(C1)SC=C2C(=O)NNC(=S)NC3=C(C=CC(=C3)C)C 1 5.543 3 1 -11.0185792337894 4577385 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O 1 1.043 3 6 0 -19.0269407324134 4596811 CN1C=CN=C1SCC(=O)C2=CC=CC=C2OC 1 2.246 2 2 -6.20986233123137 4596752 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)F 1 2.354 2 3 -12.3896314835493 4596700 CCOC(=O)C(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)OC)OC 1 1.231 4 6 0 -20.656185860158 4596618 CC(=O)NC1=NN=C(O1)C2=CC3=C(CCCC3)C=C2 1 2.304 3 2 -4.40231914566024 4596552 CC(C)C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=O)N2 1 4.239 2 1 -14.5218153184336 4596467 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5 1 2.783 6 4 0 -14.4371015331384 4596460 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=NNC(=O)C3=CC=CC=C32 1 1.367 4 4 0 -19.6857988404462 4596401 CCSC1=NCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 1.774 3 3 0 -14.3267513777846 4596338 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=CN=CC=C3)[N+](=O)[O-] 1 1.846 4 5 0 -9.94248591960429 4596292 CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)SC)CCOC 1 3.222 4 3 0 -7.67460527479427 4596263 CC1(CC1(Br)Br)C(=O)NCCCCNC(=O)C2(CC2(Br)Br)C 1 2.878 2 2 -8.41155869728875 4596240 C1COCCN1C(CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CS3 1 2.217 3 4 0 -15.3800806697994 4596210 CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)NCC2=CC=CS2 1 3.557 2 1 -5.0031505928989 4577235 COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.279 5 6 0 -14.3320014379935 4577202 CC1=CC=CC=C1N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C(C)(C)C 1 2.835 3 3 -15.5701688589252 4577166 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=C2C)C(=O)NC3CC3 1 2.423 2 4 -9.9325045119794 4577162 C1CCCC(CC1)NC(=O)C2=CN3C(=NC4=C(C3=O)C=CC(=C4)Cl)C=C2 1 3.484 3 2 -12.9627977508071 4577121 CC1=CSC2=NC=C(C(=O)N12)C(=O)NC3=CC=CC=C3Cl 1 1.804 3 2 0 -10.953104737335 4577120 CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3C 1 2.334 5 2 0 -13.8239886326462 4577058 CCCC(=O)NC1=C(C=CC(=C1)C(=O)N(C)CC(OC)OC)S(=O)(=O)C2=CC=C(C=C2)C 1 3.014 2 6 0 -24.920891255003 4577033 CC1(CC1(Cl)Cl)C(=O)NC2CCCCCCC2 1 3.556 1 1 -7.08127703602447 4577003 C1CC1C(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)(C(F)(F)F)O 1 3.208 2 2 0.762267192850619 4576990 C1CC(=O)N(C1C(=O)NCC2=CC=CC=C2Cl)CC3=CC=C(C=C3)F 1 3.067 2 2 -12.4115560123355 4576989 CC1=CC(=CC(=C1)NC(=S)N(CCOC)C(C)C2=CN=CC=C2)C 1 4.7 3 1 -11.1655398074884 4576987 CC(C1=CN=CC=C1)N(CCOC)C(=O)NC2=CC=CC=C2 1 1.831 3 2 0 -8.29774642249417 4576982 CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C)Cl)Cl 1 3.364 3 4 0 -10.8817657232286 4576979 CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.233 3 5 0 -17.2581726069533 4576973 CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCCN5CCCC5)C(=O)NC6=CC=C(C=C6)Cl 1 3.059 4 4 0 -0.629407286844973 4576911 CC1=CC=C(C=C1)C2C(=O)NC(=O)NC2=O 1 0.933 2 3 0 -9.25046700938866 4576890 COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 1.951 4 5 0 -21.4396081079513 4576838 CN1C(=C(C=N1)Cl)C(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4 1 2.95 4 1 -8.10007237091448 4576784 C1=CC=C(C(=C1)C2=NN=C(O2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])Cl 1 4.167 4 4 0 -0.14756607534297 4576754 C1COCCN1CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl 1 4.372 3 2 -7.62151961761794 4576746 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=NC4=CC=CC=C43)SC5=CC(=CC=C5)Cl 1 5.77 4 1 1.36647398658852e-002 4576724 CC1=CC(=C(C=C1)OC)NC(=O)C2=NC(=CC=C2)C(=O)NC3=C(C=CC(=C3)C)OC 1 4.045 3 4 0 -9.87914238094763 4576685 CC1CCCN(C1)C(=O)CCCC(=O)N2CCCC(C2)C 1 2.138 2 2 -10.4408349649645 4576679 CCOC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 4.779 2 4 -10.3402627971422 4576656 CCCCNC(=S)NNC(=O)C1=CN=CC=C1 1 1.597 4 1 0 -14.2646481952542 4576653 CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=CO2)S1)C)C 1 2.054 2 4 -10.8253067580564 4576617 C1CCC(C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 2.814 1 3 -14.5965262019634 4576514 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCC5(CC4)OCCO5 1 2.424 2 6 0 -11.2764608767317 4576480 CCCC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC(=CC=C3)Cl 1 2.59 3 3 -6.56063821530831 4576348 C1CCCC(=NNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CCC1 1 2.616 3 4 0 -27.1299584230791 4576343 CC1CCCC(=NNC(=O)COC2=CC=CC=C2Cl)C1 1 3.159 2 2 -8.46359190293724 4576339 C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NC(=CS4)C5=CC=CC=C5 1 4.216 4 3 0 -13.7114746920712 4576338 COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC 1 1.347 3 8 0 -19.2558084017345 4576322 CCN1CCN(CC1)C(=O)NC(C2=CC(=C(C=C2)C)F)C(Cl)Cl 1 3.294 3 1 -2.68722779088036 4576185 CN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)OC)[N+](=O)[O-])[N+](=O)[O-] 1 3.025 5 7 0 -7.40486488590517 4596191 CC(C)C1C2=C(CCN1)C3=CC=CC=C3S2 1 3.709 1 0 1.77493148443151 4596188 C1=COC(=C1)CSC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO 1 1.933 4 5 0 0.253405652772877 4596010 CC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)C)C 1 3.438 2 3 -13.1118478878617 4596004 CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3C)NC1=S 1 3.808 3 3 -16.730694452401 4595896 CC1=C(N=CC=C1)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3=O 1 3.854 2 3 -6.24004662328897 4595895 CC(=O)NC1=NN(C(S1)(C)C2=CC3=CC=CC=C3C=C2)C(=O)C 1 2.444 3 2 -6.49046845958654 4595894 CC1=CC=C(C=C1)C2(N(N=C(S2)NC(=O)C)C(=O)C)C 1 2.021 3 2 -8.60242721476027 4595804 CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2C3CCC(C2C(=O)O)C=C3)C 1 3.027 1 5 -9.04927553154847 4595703 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 -0.531 2 8 0 -34.4298610346884 4595618 CC1=CC=CC=C1N2C(=C(C(=C(C2=S)[N+]3=CC=CC=C3)[O-])C#N)C 1 3.461 3 1 -7.72503675373105 4595585 C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CC5=CNC6=CC=CC=C65 1 5.218 5 2 0 -20.1442238468514 4595578 CC1=CC2=NC(=C(N2C=C1)NC3CCCC3)C4=CC=NC=C4 1 3.602 4 0 -1.9257236217617 4595490 CC1=NN(C(=C1C=NNC2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4Cl 1 5.069 5 0 3.30511873290088 4595488 CCOC(=O)N1CCC(=NNC(=O)C2=CC=CC=C2F)CC1 1 1.635 3 3 0 -11.0820754139046 4595284 C1CC(CCC1CC2CCC(CC2)NC(=O)CC#N)NC(=O)CC#N 1 2.259 4 2 -12.5749219270539 4595327 CC1=CC(NC(=S)N1C(C)C2=CC=CC=C2)(C)C 1 4.004 2 0 -4.78080321405112 4595252 CC(C(=O)NC1=CC=CC=C1)N2CCN(CC2)C3=CC=CC=N3 1 2.458 4 1 -8.36857531718546 4576152 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCCC2 1 1.779 3 4 0 -13.9373823082436 4575944 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C(C)OC3=CC=CC=C3)C)C 1 4.88 2 4 -13.0752996658096 4575910 CCN(C1CCS(=O)(=O)C1)C(=O)COC2=CC=CC3=C2N=CC=C3 1 1.122 2 4 0 -20.6261467597821 4575822 CCCCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 1.348 3 6 0 -30.8104470387011 4575786 CC(=O)C1=CC(=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5 1 2.183 4 2 -8.13518241454598 4575751 CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=CO3)C4=CC=C(C=C4)OC 1 2.577 2 4 -8.50006145054908 4575717 CCC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2 1 3.99 3 2 -3.64998215388501 4575700 CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F 1 2.152 4 4 0 -22.8136186018122 4575597 CCC12CN3CCN(C1)CC(C3)C2=NNC(=O)NC4=CC=CC=C4 1 1.558 5 1 0 -8.69205636414279 4575595 CCCCN(CC)C(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC3)C 1 3.58 2 4 -11.7041259728498 4575398 CCC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC(=S)N2 1 3.533 2 1 -23.438143216828 4575362 C1=CC=C(C=C1)C2=CC(=NC(=N2)NCC3=CC=CS3)C(F)(F)F 1 4.549 3 0 2.189254781715 4575337 CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C)C3=CC=C(C=C3)OC 1 2.884 5 2 0 -21.3811612562087 4575322 C1CCC(=CC1)CCNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3 1 3.447 3 2 -13.0702682806399 4575319 C1CCC(CC1)NC(=O)C2(CCCCC2)N(C3=CC=CC=C3)C(=O)C4=CC=CC=N4 1 4.944 3 2 -15.8378036300203 4575306 COC1=C(C=C(C=C1)NC(=O)C2=CN=C3C=CC=CN3C2=O)OC 1 0.473 3 4 0 -16.7155671206817 4575293 CC1=CC(=O)N=C(N1)NN=C(CC(C)C)CC(C)C 1 2.464 4 1 -12.9523068620247 4575279 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)S(=O)(=O)C 1 2.492 4 2 -1.9730927205502 4575232 CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3)C 1 3.57 3 2 -24.6842803285704 4575179 C1CCC2=C(C1)C=C(C(=N2)SCC(CS(=O)(=O)CC3=CC=C(C=C3)Cl)O)C#N 1 4.494 2 3 -13.4478064202335 4575123 COC1=C(C(=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC)OC 1 2.838 1 6 0 -11.7891112852138 4575114 COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)OC)OC 1 4.381 4 8 0 -10.0414159307916 4575047 CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)F)C(=O)OCCOC 1 3.306 1 4 -10.95525079157 4574984 CCCC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C(C)C 1 4.583 4 0 -4.62073723565534 4574982 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NCCC3=CC=CC=C3 1 1.985 2 6 0 -22.9015631399617 4574911 COC1=C(C=C(C=C1)Cl)NC(=O)CCN2C3=CC=CC=C3OC2=O 1 3.078 2 4 -6.59068874307562 4574798 C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O 1 2.556 2 4 -15.5209983483075 4574729 CCC(CC)C(=O)NCCC1=CC2=C(C=CC(=C2NC1=O)C)C 1 3.675 2 2 -13.3075856672253 4574687 C1=CC=C(C=C1)C(=NNC(=O)C2=CC(=CC=C2)F)C3=CN=CC=C3 1 3.383 3 1 -7.15617088695085 4574647 CC1=C(C=C(C=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)C)C)S(=O)(=O)N(C)C 1 1.974 3 4 0 -13.7510150244047 4574636 CC(C)(C)C1CCC(=NNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CC1 1 4.014 4 5 0 -22.3104518914235 4574584 CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)OC 1 5.001 3 3 -12.4100583883837 4574330 CS(=O)(=O)NCCNC1=C(C=C(C=C1)Cl)[N+](=O)[O-] 1 1.18 3 4 0 -5.70428581560104 4574219 CCC1=CC=C(C=C1)OCC(=O)NN=C(C)C2=CC3=C(C=C2)OCCO3 1 3.227 2 4 -9.25479908477774 4574199 CC1CCC2=C(C1)SC3=NC=NC(=C23)NCC4=CN=CC=C4 1 3.527 4 0 -9.31816998611714 4574144 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)C)C 1 4.43 2 4 -21.5535222041188 4574137 CC1=CC(=O)N=C(N1)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl 1 2.376 6 1 0 -8.68897737861315 4574136 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)NN=C(C)C2=CN=CC=C2 1 0.844 5 2 0 -11.6396882602918 4574105 CCCCN(CC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3COC4=CC=CC=C4O3 1 4.642 3 4 0 -25.6511222794711 4574100 C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)N(C4=CC=CC=N4)C5=CC=CC=N5 1 4.053 3 1 -3.16167982350945 4574000 CCN(CC)CCCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=CC=C2 1 1.86 4 2 0 -11.911836996532 4573998 CCCCN(C)CCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl 1 3.093 4 2 -7.76481142582982 4573991 C1CC(=O)N(C1C(=O)NCCC2=CC=C(C=C2)Cl)CC3=CC=CC=C3Cl 1 3.847 2 2 -10.6120173244225 4573988 C1CC(=O)N(C1C(=O)N2CCC3(CC2)OCCO3)CC4=CC=CC=C4Cl 1 1.548 2 4 0 -12.8053940521018 4573929 CCOC1=C(C(=CC(=C1)C=NNC2=NC3=CC=CC=C3N2)Br)OCC(=O)N(C)C 1 3.198 5 3 0 -4.26798492820553 4573919 C1=CC=C2C(=C1)C(=CN2)C3=CN4C=C(C=CC4=N3)Br 1 3.559 3 0 0.964413307854922 4573908 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(S2)C)S(=O)(=O)N(C)C 1 2.316 2 3 -10.6279962723374 4573906 CC(=NNC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)N3C=CN=C3 1 2.333 4 1 -8.09428906605552 4573905 C1CCC(=NCC1)NS(=O)(=O)C2=CC(=C(C=C2)N)N 1 0.46 4 2 0 -8.56346846473997 4573901 CC1=NN(C(=C1C=NNC2=NC3=CC=CC=C3N2)Cl)C4=CC=CC=C4 1 3.836 6 0 6.54137040678159 4573845 CCCCCC(C)N1C(=CC(=O)N1)N 1 1.321 3 1 0 -6.045873772051 4573848 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3CCCC3)CC4=CC(=O)NC(=O)N4 1 1.853 6 4 0 -26.5191564751465 4573817 C1CC(=NNC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3C4=CC=CC=C4)CC(=O)C1 1 4.492 2 3 -5.86809842999585 4573708 CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC2CCOC2=O)[N+](=O)[O-] 1 0.829 1 8 0 -15.2695551966216 4573654 CCC(C1=CC=C(C=C1)C)NC(=O)C2(CC2(Br)Br)C 1 4.179 1 1 -5.08234037621673 4573515 C1C(CS1)OC2=CC=C(C=C2)C=NNC(=O)CSC3=NC=CC=N3 1 2.263 4 2 -11.0728524052038 4573434 CC1CC(CN(C1)C(=O)C2=C(OC(=C2)C)C)C 1 2.194 1 2 -11.5954486342845 4573381 C1=CC(=CC(=C1)F)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 1.903 4 2 0 -11.5762666837653 4573346 CN1C2=C(C=C(C=C2)OC3=CC=CC=C3)C=C1C(=O)NN 1 2.691 3 2 3.88321588493197 4573293 CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)C 1 2.452 6 3 0 -13.5503894411912 4573285 CN(C)C(CNC(=O)CCC1=NC2=CC=CC=C2S1)C3=CC=CC=C3 1 3.349 3 1 -10.4314360576488 4573235 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)CC2=NN=C(S2)NC(=O)NC3=CC=CC=C3 1 3.151 7 2 0 -16.9503554152523 4573209 CC(C)CC(C(=O)OCC(=O)NC1=CC=C(C=C1)SC(F)F)NC(=O)N 1 2.586 3 4 0 -15.6668936882552 4573044 CCC(C)(C)C1CCC(=NNC(=O)C2=C(OC=C2)C)CC1 1 3.279 2 2 -9.89084768403326 4573028 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)NN=CC3=C(C=CC=C3Cl)Cl 1 2.649 4 4 0 -27.2729703502007 4572889 CC(C(=O)N(C)C1CCN(CC1)C)NS(=O)(=O)C2=CC(=CC=C2)Cl 1 1.266 3 3 0 -7.39150511285398 4572841 C1=CC(=CC=C1C2=NC(=C(O2)NCCCN3C=CN=C3)C#N)F 1 1.902 5 1 0 3.4524755095292 4572602 C1CS(=O)(=O)CC1NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3 1 0.78 3 4 0 -20.3769460200833 4572582 COC1=CC(=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)F)OC 1 3.186 3 3 -6.07549426430524 4572530 C1=CC=C(C=C1)C2=NC3=C(C(=CC=C3)[N+](=O)[O-])N=C2C4=CC=CC=C4 1 5.082 3 2 0.633411451274021 4572525 CC1=NC2=C(C=NN2C(=C1)C(F)(F)F)C(=O)O 1 1.386 3 2 0 -11.666366262651 4572465 CC(CCC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC(=C2)OC)OC 1 2.803 2 4 -17.3491377342554 4572410 CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO 1 3.077 2 6 0 -8.52340988286614 4572408 C1COC2=C(O1)C=CC(=C2)C3=NN=C(SC3)NC4=CC(=CC=C4)Cl 1 4.174 3 2 0.170553848858775 4572404 CC1=CC(=NN1CC(=NNC(=O)C2=CC=CC=C2Cl)C)[N+](=O)[O-] 1 2.399 5 3 0 -13.5870320727982 4572321 CCN1CCC2=C(C1=O)C=CC=C2OCC(=O)NC3=CC=CC(=C3)C 1 2.773 2 3 -9.0887664694523 4572191 CC1CCCCN1C(=O)CCN2C3=CC=CC=C3OC2=S 1 3.873 2 2 -10.6213577844821 4572075 CCN(CC)C(=O)CCCC(=O)N(CC)CC 1 1.06 2 2 0 -13.4290895602785 4572066 CC1=CC(=CC=C1)NC(=O)C2=CN=C3C=CC=CN3C2=O 1 0.992 3 2 0 -9.49780281831965 4572064 COC1=CC=C(C=C1)CCNC(=O)C2=CN=C3C=CC=CN3C2=O 1 0.817 3 3 0 -14.3051404675442 4571992 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)F 1 3.841 2 3 -12.2897924971249 4571991 CC(C)CNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N 1 2.246 6 2 0 -4.97513649154368 4571967 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=CC=C3 1 3.042 2 3 -19.2701007369569 4571840 CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC=C4C(=O)OC)C 1 4.082 2 4 -21.0980152050978 4571789 CC1=CC=CC(=C1)C2=NSC(=N2)SCC(=O)C3=CC=C(C=C3)Cl 1 5.268 2 1 3.44493284569485 4571778 CC(C)C(=O)N(CC1=CC(=O)NC2=CC=CC=C21)C3=CC=CC=C3OC 1 3.235 2 3 -12.6946489647107 4571771 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F 1 2.339 3 5 0 -13.6505824793479 4571729 CC(C)C1=CC=C(C=C1)NC(=O)C(=O)C2C3=CC=CC=C3NC2=O 1 2.65 2 3 -9.12535187813349 4571724 CCN(CC)C(=NNC1=C(C=CC(=C1)C(F)(F)F)Cl)C(=O)OCC 1 4.093 3 2 -3.37563129454127e-002 4571723 CC1CCCC(N1C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C 1 1.788 4 4 0 -13.1809376327049 4571663 C1=CC=C(C=C1)CCNC(=O)CCSCC2=CC=CC=C2F 1 3.796 1 1 -15.0146236063529 4571607 CC(C(=O)N)SC1=NC2=C(C=CC(=C2)OC)C(=C1)C3=CC=CC=C3 1 3.937 2 2 1.66280417438712 4571599 COCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3OC 1 3.124 3 3 -19.8615953575313 4571574 CC1=CC=CC(=C1)C2=NSC(=N2)SCC(=O)NCC3CCCO3 1 2.766 3 2 -12.1094714181783 4571572 CC1=CC=CC(=C1)C2=NSC(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.759 3 3 -9.3616402270052 4571372 C1CC(OC1)CN2C(=CSC2=NC3=CC=C(C=C3)OC(F)F)C4=CC5=C(C=C4)OCC(=O)N5 1 3.542 3 4 0 -4.40979926365453 4571362 C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)CSC4=NN=NN4C5=CC=C(C=C5)O)C6=CC=CC=C6 1 4.904 6 2 0 -14.2534672064216 4571353 CC1=CC(=CC=C1)NC(=O)C2C(=C(C(=NC3=C(C=CC=C3C)C)S2)C(=O)N4CCOCC4)N 1 2.879 4 3 0 -5.13356882033246 4571287 CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)N(C)C3CCCCC3 1 1.63 3 3 0 -15.8705453130314 4571284 CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC 1 1.093 3 6 0 -18.169524184165 4571282 CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)NC3=CC(=C(C=C3)OC)OC 1 1.109 3 5 0 -18.4786167329424 4571281 CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)NC3=C(C=C(C=C3)OC)OC 1 1.109 3 5 0 -17.7171762880906 4571217 CCCCN(CC)CC1=CC=C(O1)CNC(=S)NC2=C(C=C(C=C2)C)Cl 1 6.257 3 1 -5.82973956106894 4571215 CCCCN(CC)CC1=CC=C(O1)CNC(=S)NC2=CC=CC=C2F 1 5.312 3 1 -9.05529830648154 4571186 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)S(=O)(=O)C 1 1.453 3 4 0 -5.6528266789284 4571177 CN1C=CC=C1C=NNC(=O)CC2=CC=CC3=CC=CC=C32 1 3.217 3 1 -7.37602138200636 4571087 CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NC=CS4 1 4.574 3 1 -11.82214863246 4571043 CCCCN(CC)CC1=CC=C(O1)CNC(=S)NC2=CC(=CC=C2)F 1 5.312 3 1 -7.01388133330653 4571041 CCCCN(CC)CC1=CC=C(O1)CNC(=O)NC2=CC=C(C=C2)Cl 1 4.205 3 2 -4.5679542883749 4571039 CCCCN(CC)CC1=CC=C(O1)CNC(=O)NC2=CC=CC=C2 1 3.54 3 2 -6.54660711733507 4571031 CC(CNC(=S)NC1=CC(=CC(=C1)F)F)CSC2=CC=C(C=C2)Cl 1 6.289 2 0 -3.66504276362562 4571030 CC1=CC=C(C=C1)NC(=S)NCC(C)CSC2=CC=C(C=C2)Cl 1 6.364 2 0 -4.14218589823982 4571028 CC1=CC2=NN=C(N2C3=CC=CC=C13)SC4CCCCN(C4=O)C(=O)C5=CC=C(C=C5)F 1 5.483 4 2 -7.32839908961298 4570895 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)F 1 4.214 3 3 -16.911567097592 4570694 CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.614 1 5 -7.32193149403607 4570652 C1CS(=O)(=O)C2=C(C1=NNC(=O)N)C=C(C=C2)F 1 0.455 3 3 0 -5.84357286500812 4570600 C1CC(OC1)CNC(=O)CSC2=CC=C(C=C2)Br 1 2.538 1 2 -12.8014767267195 4570582 C1=CC=C2C(=C1)C=CC=C2OCC(CNCC3=CC=CC=C3F)O 1 3.603 1 2 -1.32492664979808 4570562 C1=CC=C2C=C(C=CC2=C1)C=NNC(=O)CN3C=NC(=N3)[N+](=O)[O-] 1 1.824 6 3 0 -8.61019850005556 4570561 C1CS(=O)(=O)CC1NC(=O)COC2=C3C=CSC3=NC=N2 1 0.202 3 4 0 -16.3152063276802 4570559 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 2.843 2 6 0 -20.6683101734116 4570540 CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CSC=C2)S(=O)(=O)N(C)C 1 1.621 2 5 0 -17.9178583081704 4570467 CSC1=CC=C(C=C1)C2NN=C(S2)C3=CC=CC=C3 1 4.155 2 0 1.09317369407537 4570465 CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CC(OC(C3)C)C)F)C4=NC(=CS4)C5=CC=C(C=C5)Cl 1 5.312 3 4 0 -4.73943320874259 4570443 C1CN(CCN1CC(COC2=CC(=C(C=C2Cl)Cl)Cl)O)C3=NC=CC=N3 1 3.186 4 2 -1.72720499857644 4570437 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)N2CCC3=CC(=C(C=C3C2)OC)OC 1 2.186 3 4 0 -18.095097711003 4570374 CCOC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)C(=O)O 1 4.71 2 4 -10.5828681291829 4570300 CC(C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC)N(C)C 1 3.749 5 3 0 -24.9884219265808 4570259 CC1CN(CC(O1)C)C2=CC(=O)CCC2 1 1.369 1 2 0 -8.1616153489649 4570222 COC(=O)C(C(F)(F)F)(NC(=O)C1=CC=NC=C1)O 1 0.454 2 4 0 -8.70304124145165 4570208 CC1=C(C=NN1C)C=NNC(=O)C2(CC2(Cl)Cl)C 1 1.226 4 1 0 -4.84994536467683 4570113 C=CCNC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.807 2 3 -11.0999474780639 4570088 CC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=CC3=CC=CC=C32 1 6.469 2 0 -4.45695768690213 4570071 CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)C3=CC=CC=N3 1 1.753 5 3 0 -13.5165646837916 4569957 COC(=O)C1=NOC(=C1)C2=CC=C(C=C2)Br 1 3.126 1 3 -0.584814236501247 4569772 C1CN(CCN1C2=CC=CC=C2)C(C3=CC=CS3)C4=C(N5C(=NC=N5)S4)O 1 4.107 5 1 -1.77650056053264 4569803 CCN(CC)C1=NC2=C3C(=C1C#N)C4=C(N=C3NC(=N2)C)N(C(=O)C4)C5=CC=C(C=C5)Cl 1 3.276 7 1 0 -9.06592245646134 4569711 COCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.308 5 4 0 -29.4775343911793 4569518 CCCCOC1=CC=C(C=C1)C(=O)NNC(=O)C2C3CC(C2C(=O)O)C=C3 1 2.061 2 5 0 -8.82116981220847 4569423 CC(C)C1=CC(=NN1)C(=O)NN=C(C)C2=CC=CO2 1 2.206 4 2 -4.03614796778316 4569416 CS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)F 1 3.082 3 4 0 -9.28706983326367 4569413 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC(=O)NC(=O)N2 1 -1.173 4 7 0 -23.266153970234 4569323 CN(C1CCCCC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.261 4 4 0 -15.3586929414246 4569326 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N(CC=C)C2=CC=CC=C2 1 0.516 3 4 0 -21.0826878447879 4569349 CC1=CC(=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=CO4)C 1 2.834 3 4 0 -7.15143354548615 4569333 CCCCCCCNC1=CC(=O)CC(C1)C2=CC=CO2 1 3.557 1 2 -14.956652445899 4569276 CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)OC(=O)C2CC2 1 3.506 1 3 -7.75661451660166 4569223 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Br)OC 1 4.061 5 4 0 -27.8249818119572 4569221 C1C2CN(CC1C3=CC=CC(=O)N3C2)C4=C(C=C(C=C4)C(=O)O)NC(=S)NC5=CC=C(C=C5)Br 1 4.785 4 3 0 -10.1956598263935 4569215 CCCCNC(=O)CCCCCNS(=O)(=O)C1=CC=C(C=C1)Br 1 3.359 2 3 -20.2227266451198 4569096 CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=CS2)C(=O)OC 1 1.757 3 5 0 -24.3961841620458 4569104 CCOC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CCN4CCOCC4)C(=O)NC5=NOC(=C5)C 1 2.702 4 5 0 -16.6632161244532 4569094 CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC3CCCCC3=O 1 4.192 1 3 -5.98071237655798 4569017 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl 1 3.796 3 5 0 -15.93975194196 4568965 CC1=C(C=C(C=C1)F)NC(=O)CN2CCN(CC2)C3=CC=CC=N3 1 2.666 4 1 -3.13072719007947 4568924 C1CN(C(=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)F 1 4.026 3 3 -14.7640682477402 4568917 COC1=C(C=C(C=C1)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O)F 1 3.487 2 3 0.283685601996765 4568787 COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)NNC(=O)C3=CC=CC=C3Br)OC 1 2.285 3 5 0 -12.6178381564562 4568767 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC(=C(C=C3)OCC4=C(ON=C4C)C)OC 1 3.562 3 7 0 -22.0261137527885 4568732 C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.479 4 4 0 -9.01648740936706 4568719 CSC1=NCCN1C(=O)CC2=CC=C(C=C2)F 1 2.548 2 1 -6.70780124755154 4568703 CCC(C(=O)NC1=CC=C(C=C1)OC)Br 1 2.619 1 2 -7.61380673215244 4568699 COC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC3=CC=CC=C3 1 4.148 2 2 -5.71083788774525 4568695 CC1=CC(=O)C(=CC1=NOC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(C)C 1 3.738 2 5 0 0.680106857125402 4568691 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OCC)[N+](=O)[O-] 1 2.136 2 6 0 -22.1782532596549 4568643 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCCCN4C=CN=C4)C 1 2.328 7 0 0 2.77323486016145 4568540 CC1CCCC(N1N=CC2=CC=C(C=C2)C(=O)O)C 1 2.865 2 2 -3.88528498995234 4568537 COC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC3CCCC3 1 2.745 4 2 -17.7783610547183 4568478 CN1CCC(=NNC(=O)CN(C2=C(C=CC(=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3)CC1 1 1.69 4 5 0 -14.5894758550122 4568396 CC1=C(C=C(C=C1)NC(=O)C2=CC(=CN=C2)Br)S(=O)(=O)N(C)C 1 1.815 3 3 0 -11.1339057555984 4568308 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)SC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)OC 1 6.032 4 2 -1.38184193320762 4568226 CC1=CC(=C(C=C1NC(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2)OC)[N+](=O)[O-] 1 3.987 2 6 0 -12.9563934823923 4568225 CC1CC1C(=O)OCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 3.227 1 4 -8.29364692563225 4568191 CC1CN(CC(O1)C)C(=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 1.952 2 6 0 -13.3481565856287 4568142 CC1C(=O)N(C(=O)CS1)CC(=O)NC2=C(C=C(C=C2)OC)OC 1 0.618 2 5 0 -17.4594758114273 4568055 CC1CCCCC1NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl 1 3.802 1 3 -10.639121091839 4568010 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.169 2 3 -2.06629476556083 4567993 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CC2=CC(=C(C=C2)OC)OC 1 0.46 1 7 0 -22.9079219987565 4567873 CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CN=CC=C4)C#N 1 1.698 3 1 0 -15.0001423333838 4567717 CC1CCCC(C1C)NCC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.852 3 2 0 -11.1278705111846 4567709 C1CC2(CC3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)NCC4=CC=CO4 1 1.404 3 4 0 -13.568788157627 4567680 CC(C)CNC(=O)COC1=C2C=CSC2=NC=N1 1 1.886 3 2 0 -11.8920789163151 4567678 CC(C1=CC=CC=C1)NC(=O)COC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 4.259 1 3 -10.4305958523994 4567653 CC(CC1=CC=CS1)NC(=S)NC2=CC=C(C=C2)OC 1 4.445 2 1 -10.7704781679454 4567571 CC1CN(CC(O1)C)C2=C(C=C(C=C2)[N+](=O)[O-])C#N 1 2.208 3 3 -5.91875796116697 4567568 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=C4C(=O)N(C(=C(C#N)C#N)S4)C5=CC=CC=C5F 1 4.909 6 1 0 5.07971398867063 4567491 C1=CC2=NC(=CN2C=C1Cl)CSC3=NN=C(S3)N 1 1.844 5 0 0 -5.98301775747533 4567474 CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C 1 2.341 3 2 -13.093878206707 4567434 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3CCCO3 1 1.758 2 6 0 -20.7493816138821 4567433 CC1=CC(=C(C(=C1)C)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)C 1 3.13 2 4 -8.23855448929352 4567422 CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCCN3C(=O)CSC3=O)[N+](=O)[O-] 1 2.04 4 7 0 -26.7348960193295 4567382 C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C3=NN=C(O3)C4=CC=CC=C4)O 1 4.003 2 3 -2.41259597679523 4567369 COC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-] 1 2.901 2 7 0 -14.6260431255641 4567360 CC1=CC=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)C)[O-] 1 2.758 2 4 -3.61404132399766 4567342 CCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=CO5 1 3.514 2 5 0 -9.73345884172378 4567271 COC1=C(C=C(C=C1)NC(=O)CC2C(=O)OCC3N2CCCC3)Cl 1 2.459 2 4 -13.496196637764 4567244 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)N 1 1.887 6 5 0 -22.1319778282394 4567226 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CNC(=O)C=C3 1 0.438 3 5 0 -23.700290279508 4567147 CC1=NN=C(N1CC2=CC=CC=C2)SC(C)C(=O)NC3=C(C=C(C=N3)Cl)Cl 1 4.165 5 1 -9.3668212729776 4567086 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=CC=C(C=C2)F 1 3.589 1 2 -3.81977576934096 4567044 CC(C)NC(=S)NN(C1=CC=CC=C1)C2=CC=CC=C2 1 4.694 3 0 -11.1736577860166 4567042 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=NOC(=C3)C)C 1 1.337 4 4 0 -15.5497727108709 4567016 CC1(CC1(Cl)Cl)C(=O)NC(=S)N(CCCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 2.135 5 4 0 -12.2216852274792 4566880 COC1=CC=CC(=C1)C=NNC2=C(C(=NS2)SC)C#N 1 3.529 4 1 -7.09701183461918 4566839 CC1=CC2=C(C=C1)N3C(=O)C(=CN=C3S2)NC(=O)C4=CC=C(C=C4)F 1 3.164 3 2 -7.50438604112714 4566836 CC1=CC(=NC=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 5.022 4 0 1.73567444472725 4566826 COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3CCC(=O)N3)C4=CC5=CC=CC=C5C=C4 1 2.801 3 5 0 -10.6332478898885 4566809 CCOC(=O)C1=C2N(C3=CC=CC=C3O2)C(=O)C(=C1)NC(=O)C4=CC=C(C=C4)F 1 2.729 2 5 0 -7.3770934587014 4566793 CCOC(=O)N1CCC(CC1)NC(=O)CCC2=CC=CC=C2 1 1.891 2 3 0 -12.2346493600633 4566735 CC1=CC=C(C=C1)N(CCC#N)C(=O)CN2C(=O)C(NC2=O)CC3=CC=CC=C3 1 2.393 4 3 0 -11.6943423164542 4566591 CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=NCCN3 1 1.711 4 1 0 -10.3890610988239 4566503 C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N 1 3.62 3 0 -2.92899588514718 4566424 C1=CC=NC(=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)F 1 2.332 4 2 -13.0082468749374 4566241 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 1.869 4 6 0 -26.3000900333634 4566182 CN(C)C1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCOCC3 1 1.723 7 3 0 -4.05991205828615 4566098 CC1=C(C=CC(=C1)Cl)N2C(=O)CC(C2=O)NNC(=O)C3=CN=CC=C3 1 1.242 4 3 0 -8.12656138168545 4566096 C1CN(C2=CC=CC=C21)CC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4 1 4.322 2 1 -16.8314304659247 4566093 C1CC2=C(C(NC(=O)N2)C3=CC=CC=C3)C(=O)C1 1 1.302 2 2 0 -25.0529415345452 4566027 CNC(=O)CN1C(=O)C(NC1=O)CC2=CNC3=CC=CC=C32 1 0.439 4 3 0 -9.80706850880334 4566016 COC1=CC=C(C=C1)NC2=NN=C(S2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)OC)Cl 1 5.287 4 3 0 -12.1676139366368 4565960 CC(C(=O)N)OC(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F 1 1.945 3 3 0 -5.44233137272964 4565916 CC(C)C1=CC(=C(C=C1)OC)S(=O)(=O)NCC2CCCO2 1 2.277 1 4 -9.94274342306868 4565878 C1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=NC=C4 1 0.925 10 2 0 -24.701630436481 4565872 CCS(=O)(=O)NC(C)C1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=C4Cl 1 3.944 5 2 0 -7.39154654198752 4565870 CC1CC2=CC=CC3=C2N1C(=C(C3=O)C(=O)C4=NNN=N4)O 1 1.773 5 3 0 -5.364314738711 4565745 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC(=CS2)C(C)(C)C 1 3.304 2 3 -9.19427329530142 4565713 CC1CCN(CC1)CC(COC2=CC=C(C=C2)F)O 1 2.816 1 2 -4.53800740673872 4565660 CC(=NNC(=S)NCCC1=CC=CC=C1)C2=CC=C(C=C2)Cl 1 4.781 3 0 -7.95645831536887 4565568 CCCC(=O)NC1=C(C=CC(=C1)C(=O)N2CCC3(CC2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)C 1 3.141 2 6 0 -24.2388519072767 4565479 CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)NCC2CCCO2)[N+](=O)[O-] 1 0.544 3 7 0 -25.4291613276243 4565288 CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 3.964 3 3 -26.0823052394572 4565175 COC(=O)C1=CNN2C1=NC(=CC2=O)CCl 1 -0.553 3 3 0 -7.10595580146219 4565165 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N)C 1 1.308 1 3 0 -8.19348950060942 4565122 C1=CC(=CC=C1NC(=O)C2=C(C=C(C=C2)Br)F)Cl 1 4.233 1 1 1.11561006603442 4565010 CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=CN2C3=CC=C(C=C3)OC 1 3.058 5 4 0 -11.6322703404523 4564921 CC(=NNC(=O)C1=CC=CS1)C2=CC=C(C=C2)N3CCOCC3 1 2.467 3 2 -8.8816407828914 4564792 C1=CC=C(C=C1)CSCC2=CN3C=C(C=CC3=N2)Cl 1 3.582 2 0 -4.56448553472175 4564703 CC1=CC(=NC2=NC(=CN12)COC3=CC=CC=C3)C 1 2.532 3 1 -3.3095155824016 4564672 C1=CC=C(C=C1)C2=NC(ON2)C3=CC=C(C=C3)C#N 1 2.625 3 1 -0.93228003175643 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C1C(C(CS1)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4 1 2.485 2 5 0 -13.7059132553685 4563338 CC(C)CNC(=O)COC1=CC=C(C=C1)SC2=CC=C(C=C2)OCC(=O)NCC(C)C 1 4.418 2 4 -8.04625971501431 4563316 CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC3=CC=CC=C3)OC)C)[N+](=O)[O-] 1 3.988 5 3 0 -4.42120171314606 4563311 CC(=NNC(=O)C(C1=CC=NC=C1)N2CCOCC2)C3=CC=C(C=C3)OC 1 1.245 4 3 0 -11.0211360658627 4563260 C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC3=CC4=C(C=C3)OC(=O)C=C4)Cl 1 4.553 1 4 -0.528004126991949 4563130 COC1=C(C=C(C=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)N4CCCCC4 1 3.247 3 4 0 -19.3499583156453 4563114 CC1=C(SC=C1)C=NNC(=O)C(C2=CC=CC=C2)O 1 2.505 2 2 -7.50596479148287 4563061 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)N3C(=C(C=N3)C(=O)C4=CC=CC=C4O)N)[N+](=O)[O-] 1 1.295 5 7 0 -16.6270485514401 4562984 C1CN(CCN1CC(CSC2=CC=CC=C2Cl)O)C3=CC=CC=C3F 1 4.499 2 1 -0.260889994770966 4562974 C1COCCN1CCCNC2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 2.086 3 3 -2.2220271562994 4562967 COC1=CC=C(C=C1)C2CC(=NN2S(=O)(=O)C)C3=CC(=C(C=C3)OC)OC 1 2.493 2 5 0 -6.67551849527051 4562902 CCC(C)NC(=O)CON=CC1=CC=C(C=C1)C(=O)OC 1 1.86 2 4 0 -13.0157013765809 4562811 CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N=C(S2)NN=CC3=CC=CO3)C 1 3.338 4 3 0 -7.08042322689268 4562795 CC1=C(SC=C1)C=NN(C)C2=NC3=CC=CC=C3N=C2 1 3.46 4 0 1.23511635671458 4562748 CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC(=C(C=C3)OC)OC)Br 1 2.914 3 5 0 -12.4876257120937 4562751 CCOC(=O)C1=C(N=C(C=C1)C2=CC(=CC=C2)C(F)(F)F)C 1 4.055 1 2 3.73628733274754 4562786 CN1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-] 1 1.83 7 2 0 3.01321170067958 4562753 C1C(OC2=C1C(=C(C(=N2)N)C#N)N)C(F)(F)F 1 1.237 4 1 0 -3.10480877724221 4562657 CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCC(=O)NC2CCS(=O)(=O)C2 1 1.768 1 6 0 -17.1212903056166 4562565 CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)NNC3=NC4=CC=CC=C4S3)C 1 2.968 4 2 -0.91442889119629 4562516 CCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NC3CCS(=O)(=O)C3 1 2.37 4 4 0 -27.578041357869 4562513 CCC(C)C1=CC=CC=C1NC(=O)CN(C)CC(=O)NC2=CC=CC=C2SC 1 3.785 3 2 -11.9238847883642 4562511 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1.70203982579306 4561772 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(C)CC2=CC=CS2 1 3.984 1 4 -18.0199842742353 4561751 CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=O)C3(CCOC4=CC=CC=C43)NC2=O)C 1 2.687 3 4 0 -7.87675395527438 4561725 C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C3=C(C(=O)C4=CC=CC=C4C3=O)Cl 1 3.421 3 4 0 2.63579316801723 4561688 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC(=O)OC)C3=CC=C(C=C3)F 1 3.168 3 5 0 -16.7701326299582 4561683 C1CC12C3C=CC2C4C3C(=O)N(C4=O)NC(=O)CC5=CC=CC6=CC=CC=C65 1 1.973 2 3 0 -6.04876090491031 4561582 COC1=CC=CC=C1C=NNC(=O)NC23CC4CC(C2)CC(C4)C3 1 3.141 3 2 -5.88390334086418 4561526 COC(=O)COC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4 1 3.031 3 5 0 -15.6812743725895 4561434 COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N(N4)C5=CC=CC=C5)O 1 2.408 3 4 0 -17.5795486762755 4561374 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CO3)C(=O)C4=CC5=C(C=C4)OCO5 1 4.623 2 5 0 -20.1177913256524 4561257 CCCC(CCC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)O 1 3.392 3 3 -7.51577249544457 4561221 C1=CC(=CC=C1[N+](=O)[O-])OCC(CN(CCO)CCO)O 1 0.257 2 6 0 -2.0134650381692 4561143 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NS(=O)(=O)C3=CC=C(C=C3)OCC 1 3.087 3 5 0 -11.2435386515854 4561126 CC(C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=CO2 1 1.454 2 3 0 -14.7613747275533 4561090 CC(=O)CCC1=CC=C(C=C1)OCC(CN(C)CC2=CC=C(C=C2)OCC=C)O 1 3.846 1 4 -9.98006784895921 4561034 CC1CCC2=C(C1)SC3=NC(=NC(=C23)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])CN5CCOCC5 1 3.317 5 5 0 -15.5461883992001 4561017 C1=CC=C(C=C1)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43 1 4.237 4 0 -9.01317006662624 4561015 COC1=CC=C(C=C1)C=NC2=C(C=C(O2)C3=CC=CC=C3)C#N 1 4.327 2 2 4.9215220693878 4560780 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 2.902 3 3 -8.91120712819513 4560771 C1CC1NC(=O)C(=O)NN=CC2=C(C=C(C=C2)Cl)Cl 1 2.191 3 2 -5.1547327524552 4560723 CC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3 1 2.777 2 4 -10.9159866683189 4560715 C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=CC=CC=C3O 1 2.986 4 4 0 -3.11786452757622 4560547 CCNC(=S)NN=C(C)C1=CC2=C(C=C1)OCCO2 1 2.346 3 2 -11.5738762970446 4560537 C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 1.918 2 5 0 -9.62374158343528 4560535 CC1=CC=CC=C1N2C(=CN=C2SCC(=O)NC3CCS(=O)(=O)C3)C4=CC=C(C=C4)Cl 1 4.111 3 3 -14.9309852216455 4560532 CC1=CC(=CC=C1)NNC(=O)C(C2=CC=CC=C2OC)(C3=CC=CC=C3OC)O 1 4.019 2 4 -5.49296603926994 4560518 CC(C)(C)C1=CSC(=N1)NC(=O)C2=COCCO2 1 1.354 2 3 0 -6.48502807780606 4560346 C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC5=CC=CC6=C5N=CC=C6 1 3.75 2 4 -11.1695776727053 4560328 C1C(=O)NC2=CC=CC=C2N1C(=O)COC3=CC=CC=C3F 1 1.667 2 3 0 -11.981023940706 4560261 CC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(CN3C=NC=N3)C(=O)C4=CC=CC=C4 1 5.5 3 1 -7.34169290751089 4560229 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4 1 3.964 4 3 0 -16.5640900698476 4560195 CC1=CC=C(C=C1)CNC(=O)COC2=C(N=C(C=C2)C)[N+](=O)[O-] 1 2.508 3 4 0 -11.9622690891792 4560157 CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)C(=C4C5=CC=CC=C5NC4=O)S2)C 1 3.853 3 4 0 -30.4352142275074 4560147 C1=CC(=CC=C1C=NNC(=O)C2=NC(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-])Cl 1 2.387 5 4 0 -6.9707019702233 4560135 COC1=CC(=CC(=C1OC)OC)C(=O)NCCC(=O)NCC2=C(C=C(C=C2F)F)F 1 2.496 2 5 0 -19.6706587344965 4560013 CCOC(=O)C1=C(SC=C1C2=CC3=CC=CC=C3C=C2)NC(=O)CCCC(=O)O 1 3.669 1 5 -9.68079840144428 4559992 COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=C(C=C6)F 1 2.337 4 3 0 -5.81606185243005 4559962 C1C2=CC=CC=C2C(=N)N1C3=CC(=C(C=C3)F)[N+](=O)[O-] 1 2.728 3 2 -6.12287523006138 4559742 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4OC 1 3.258 2 8 0 -21.0624785140572 4559736 C1=CC=NC(=C1)C2=C(NC3=C2C=CC(=C3)[N+](=O)[O-])N 1 2.192 4 2 2.37880101450221 4559571 CC1=CC=C(C=C1)NC(=O)CC2=NC(=O)C(S2)CC(=O)NC3=CC=CC=C3C 1 3.267 3 3 -14.2603444502881 4559554 C1CCC(CC1)NC(=O)C2(CCCCC2)NC(=O)CC3=CNC4=CC=CC=C43 1 4.212 3 2 -15.8428295029913 4559523 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43 1 1.618 5 5 0 -16.6607140904254 4559522 CC1=CC(=C(C=C1)NC2=NN=C(S2)SC3CCOC3=O)C 1 2.996 3 2 -5.41451098040698 4559516 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CNCC3=CC=C(C=C3)F 1 3.727 2 1 1.71728003074693 4559470 CC1=CC=C(C=C1)NC(=S)NCC2CCN(C2)C(C)C3=CC=CC=C3 1 5.197 3 0 -9.04488845303461 4559466 CC(C1=CC=CC=C1)N2CCC(C2)CNC(=S)NC3=CC(=CC=C3)Cl 1 5.376 3 0 -6.39341342285394 4559464 CC1=CC(=C(C(=C1)C)NC(=S)NCC2CCN(C2)C(C)C3=CC=CC=C3)C 1 6.17 3 0 -8.70588141527951 4559460 CC1=CC(=CC(=C1)NC(=S)NCC2CCN(C2)C(C)C3=CC=CC=C3)C 1 5.684 3 0 -9.43365245186468 4559395 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC=C(S2)Cl 1 3.649 1 3 -8.05264964167693 4559301 CC(C)(CN1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.091 3 2 -5.14295593211656 4559296 C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=C(N=C4N3C=CC=C4)C5=CC=CS5 1 4.702 3 1 -5.9496336358542 4559225 COC1=C(C=C(C=C1)C(C[N+](=O)[O-])C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4)OC 1 5.013 2 4 -5.15338298306058 4559179 CCOC(=O)C1=C(N(N=N1)CC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC)C(=O)OCC 1 4.226 5 6 0 -16.6275221136259 4559159 CC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl 1 2.665 2 7 0 -18.2901577691859 4559154 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O 1 2.833 1 5 -15.2839226367577 4558908 CCCCC(C)N1C(=CC(=O)N1)N 1 0.865 3 1 0 -5.78400524995502 4558853 CC(C)(C)C1=CC=C(C=C1)C(=O)NN2CCOCC2 1 1.84 2 2 0 -5.10839313322505 4558708 CC1=CC=CC2=NC(=CN12)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)OC)OC 1 4.602 4 3 0 -18.5745903146166 4558691 CC1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 3.037 3 2 -11.7629737974297 4558613 CC(C(=O)N1CCN=C1SCC2=CC=CC=C2)OC3=CC=CC=C3 1 4.211 2 2 -14.8382900860566 4558612 CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F 1 2.446 4 4 0 -27.6970782303085 4558564 CC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)C(=O)NCC4CCCO4 1 2.939 3 3 -14.2380855384597 4558538 CCCNC(=O)C12CCC(C1Br)(C2(C)C)C(Br)Br 1 3.784 1 1 -7.82013119584233 4558532 CCOC1=CC2=C(C=C1)N=C(S2)C(=O)N3CCCC(C3)C 1 3.303 2 2 -7.62100316442735 4558465 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.597 3 3 -14.0843113918898 4558331 CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-] 1 0.444 3 4 0 -10.9996854801859 4558276 CCN1C(=NNC1=S)C2=CSC3=C2CCC(C3)C 1 3.747 3 0 -7.83246757140658 4558233 COC1=CC=C(C=C1)OCC(=O)NCCCCCCNC(=O)COC2=CC=C(C=C2)OC 1 3.087 2 6 0 -10.9348912337674 4558230 CCCC(=O)C1=C(C(CCC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)O 1 4.343 0 4 -3.46827463994387 4558229 CC1=CSC(=C1NC(=O)C2=CC=CC=C2F)C(=O)OC 1 3.115 1 3 -8.1120519371295 4558225 CCCSC1=NC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F 1 3.828 2 1 -9.36738659965986 4558119 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)NCCCl 1 0.728 3 3 0 -14.0844766727486 4558113 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)CCC4=CC=CC=C4 1 2.24 3 6 0 -24.979152306396 4558110 CCOC1(C(=CC(=O)C=C1C)C)N=C(C)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.369 2 4 -2.65867426066615 4558058 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=N3)Cl 1 1.361 3 4 0 -19.7934414751507 4557860 CC1=C(N=CC=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.307 2 1 1.63262757053508 4557762 C1COCCN1C2=COC3=CC=CC=C3C2=O 1 0.846 1 3 0 -1.11451243218457 4557691 C1=CC=C(C=C1)C2C(O2)(C(=O)N)C(=O)N 1 -0.5 2 3 0 -0.978724297062169 4557552 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl 1 4.637 3 4 0 5.2183965087078 4557537 CC1=C(SC2=NC(=NC(=C12)N3CCCCC3)C)C(=O)NC4=CC5=C(C=C4)OCCO5 1 4.034 4 3 0 -15.2499322319764 4557532 CC1=C(SC2=NC(=NC(=C12)N3CCCCC3)C)C(=O)NC4=CC=CC=C4C(F)(F)F 1 5.19 4 1 -11.6192373849333 4557525 CC1=C(SC2=NC(=NC(=C12)N3CCCCC3)C)C(=O)NC4=CC=CC(=C4)C(F)(F)F 1 5.19 4 1 -6.48224892352133 4557524 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.01 3 5 0 -20.4859210319707 4557441 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3CCCC3)CC4=CC(=O)NC(=O)N4 1 2.202 6 4 0 -27.2853796268545 4557439 CC1=CC=C(C=C1)C(C2=C(N3C(=NC=N3)S2)O)N4CCCCC4 1 3.927 4 1 -5.28342426458649 4557307 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NN=CC3=CN=CC=C3)NC(=O)C4=CC=CS4 1 2.879 5 2 0 -13.719333998933 4557306 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C3=CC=CC=N3)C4=CC=CC=N4)[N+](=O)[O-] 1 4.148 5 3 0 -7.45989060676599 4557301 CCOC(=O)C1=C(N2C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])SC2=NC1C4=CC(=C(C=C4)O)OC)C 1 4.088 3 7 0 -13.2317334301685 4557299 CCOC(=O)C1=NN(C(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.734 2 3 -7.30655231337456 4557295 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.859 2 6 0 -25.9007252652938 4557249 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=CC4=C3N=CC=C4 1 1.999 3 4 0 -24.1897243437768 4557247 CC1=CC(=CC(=C1)NC(=O)CN2C3=CC=CC=C3N=C2C4=CC=CC=C4Cl)C 1 5.749 3 1 -3.60611090998306 4557238 C1CS(=O)(=O)CC1NC(=O)NP(=S)(OC2=CC=CC=C2)OC3=CC=CC=C3 1 2.9 2 5 0 -12.2543328044896 4557176 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 -4.8e-002 4 4 0 -18.4366444271534 4557073 CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC=C(C=C2)C#N 1 3.674 4 0 -11.868056587945 4557022 C=CCNC(=S)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)F 1 5.182 2 0 -11.4291085255424 4557019 CC1=CC(=C(C=C1)C)N2C(=NN=C2SC(C)C)CC3=CC(=O)NC(=O)N3 1 3.106 5 2 0 -14.7558662236458 4557000 CC(C)N(C1=CC=CC=C1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 4.915 3 3 -20.9074599195447 4556994 CN(CC1=CC=CC=C1)CC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-] 1 2.639 3 3 -5.85101186257272 4556916 COC1=C(C(=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)OC)OC 1 4.152 2 4 -2.31554340437143 4556880 CN1C(=NN=N1)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.521 5 1 -13.8159827356467 4556813 CC(C(=O)NC1=CC(=CC=C1)Cl)OC2=C(N=CC=C2)[N+](=O)[O-] 1 2.881 3 4 0 -8.2562296945288 4556789 C1=CSC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN 1 0.427 8 2 0 -22.6070213215497 4556720 CC1=C(C(C2=C(N1)C3=CC=CC=C3S2(=O)=O)C4=CC=C(C=C4)O)C(=O)OC 1 1.958 1 5 0 -17.0835591722323 4556709 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2CCCC2 1 4.251 3 3 -14.3784218946859 4556645 C1=CC=NC(=C1)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.855 4 3 0 -5.3752676040922 4556424 CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)CC(=O)OC)S(=O)(=O)C 1 0.83 1 7 0 -15.7772298000028 4556420 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCC(=O)N2)[N+](=O)[O-] 1 0.488 3 6 0 -16.0849960198756 4556344 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C(NC3=O)CC4=CNC5=CC=CC=C54 1 2.506 5 5 0 -21.6362333546645 4556298 CC1CCCC(N1N=C(C)C2=C(C=C(C=C2)OC)OC)C 1 3.183 2 2 -2.45860138201179 4556258 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NN=CC3=C(C=C(C=C3)Cl)Cl 1 4.624 5 0 5.48623392916423 4556252 C1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)CCCO 1 3.496 3 2 -2.69814012601314 4556236 CC1=CC(=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=CC=C4)C 1 4.446 2 2 0.116248385059849 4556216 CC1=NC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 1.783 3 6 0 -10.7862189771967 4556124 CC1(C(C1C(=O)N(CC2=CC(=CC=C2)Cl)C3CCS(=O)(=O)C3)C=C(Cl)Cl)C 1 3.609 1 3 -11.2605555437722 4556111 CC1=CC(=C(C=C1)SSC2=C(C=CC(=C2)C)N)N 1 4.018 2 0 2.85294854259884 4556090 CCOC(=O)C1=NOC2C1C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl 1 2.187 2 5 0 -5.1078483084967 4556052 CC(C)C1=CC=C(C=C1)C(O)P(=O)(C2=CC=C(C=C2)N(C)C)OCC3=CC=CC=C3 1 5.409 1 3 -4.58272274950471 4555995 C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)NCCCN4C=CN=C4 1 2.345 3 2 -1.80796732148328 4555971 CCCC(=O)N1C2=C(C(C3=C1N(C(=O)N(C3=O)C)C)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CC=C52 1 3.867 3 4 0 -16.9924304122668 4555970 CC(=NNC(=O)C1=C(NC2=CC=CC=C2C1=O)O)C 1 0.772 3 3 0 -8.33723339310944 4555938 CC1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-])C 1 3.876 4 2 3.191802112075 4555915 CN(C)C=NC1=NC=C(S1)C(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.359 3 1 3.58597733200624 4555893 CCOC(=O)C(C(F)(F)F)(NC(=O)NCC1=CC(=CC=C1)C(F)(F)F)OCC 1 3.568 2 4 -6.47950363754508 4555838 CC1=NC2=C(C=C(C=C2C3=C1CCN3C4=C(C=C(C=C4)OC)OC)OC)OC 1 4.064 2 4 -3.63816626805875 4555836 CCOC(=O)C1C(N=C(NC1=O)C2=CC=CC=C2)C3=CC(=C(C=C3)O)OC 1 2.551 2 5 0 -6.71384321689304 4555756 CC(C)CCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4)S2)OC 1 5.346 3 4 0 -15.1776767091574 4555740 CC(=O)N(C(=O)C)N1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35 1 1.382 2 4 0 -7.25884505050934 4555739 CC1=NC(=NC=C1C(=O)C)SC 1 1.136 2 1 0 -4.39058732759735 4555616 C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)SC3=NN=C(O3)C4=CC=CS4 1 6.127 3 2 -12.6401649653288 4555577 COC1=CC=CC(=C1)NC(=O)CN2C(=CC=C2C3=CC=CC=C3)CCC(=O)O 1 3.55 2 4 -9.87189607772649 4555495 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC 1 1.986 2 5 0 -20.0475920710773 4555416 C1=CC=C(C=C1)C=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 4.416 2 2 -6.27981822814681 4555418 CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)C3=CC=CN3C 1 3.585 4 3 0 -20.1558110471935 4555421 CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC=CC=C4OC 1 3.113 8 4 0 -28.7128192186902 4555444 CC1=NN(C(=O)C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)F 1 2.424 2 4 -5.95565026674403 4555441 CCN1C(C2=C(C3=CC=CC=C3C2=O)NC1=O)C4=CC=CC=C4F 1 2.778 2 2 -11.4627439961272 4555387 CC1=CC(=NN1CC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)[N+](=O)[O-] 1 2.519 5 3 0 -13.4694954944469 4555368 CCCC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C4=CC=CC=C4 1 2.161 4 6 0 -21.1050122732433 4555282 CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2C(=O)C3(CCCC3)NC2=O 1 1.532 4 5 0 -13.5208360776908 4555283 CC(C)CC(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)C3=CC=C(C=C3)Cl 1 4.191 2 7 0 -14.3824997547291 4555247 CC(C)OC1=CC=C(C=C1)C(CC(=O)O)C2=CC=C(C=C2)F 1 4.15 0 3 -5.76221298877383 4555111 CCC(COC(=O)NC1=CC=CC=C1)N2C(SCC2=O)C3=CC=C(C=C3)Cl 1 4.64 2 3 -9.48293585422614 4555097 C1=CC(=C(C(=C1)F)C(=O)NC(C2=CC=C(C=C2)OCC(=O)O)NC(=O)C3=C(C=CC=C3F)F)F 1 3.965 2 5 0 -10.7417726043862 4555096 CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2CCCCC2 1 2.957 2 3 -21.9134016429164 4555092 COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4 1 4.298 2 6 0 -21.523476415597 4555018 CC(=NNC(=S)NC1CCCCC1)C2=CC(=C(C=C2)Cl)Cl 1 5.399 3 0 -6.57723385333214 4554946 CC(=O)NC1C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3 1 1.973 2 2 0 -8.71076487189117 4554856 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=S)NC2=CC=C(C=C2)F 1 3.374 4 3 0 -8.95285122120458 4554836 COC1=CC=C(C=C1)C2=NC(=CS2)C=O 1 2.382 1 2 3.338056090662 4554759 C1CCC(CC1)CNCC(COC2=CC=CC=C2)O 1 3.094 1 2 -1.76970389507242 4554745 CC1C(=O)C(C(OC1=O)C2=CC=C(C=C2)Cl)(C)C 1 3.484 0 3 -1.68135824765265 4554732 CC1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=NN=NN4C5=CC=CC=C5)C(=O)NC(=O)N3C 1 3.077 9 2 0 -19.9329104363717 4554648 C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F 1 4.621 3 3 -1.04797774040473 4554622 COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC 1 3.225 3 5 0 -9.04675175483074 4554620 CC1=CC(=C(C=C1)C2NC3=C(C(=C(S3)C)C)C(=O)N2)O 1 3.111 2 2 0.171174100284129 4554611 CSC1=NC2=C(C(=O)N1C3=CN=CC=C3)SC=C2 1 2.615 3 1 -17.8457822072563 4554561 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)NNC3=NC4=CC=CC=C4S3 1 2.482 4 2 -1.02920834692686 4554526 CCC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=NCCN3 1 2.167 4 1 -11.0451992127098 4554423 CCOC(=O)C(C(C)C)C(=NNC(=O)C1=CC=CC=C1[N+](=O)[O-])C 1 2.439 3 5 0 -14.0466703396523 4554234 C1=CC(=CC=C1CC2=NNC(=S)N2N=CC3=CC=C(C=C3)Cl)Br 1 5.194 4 0 -2.85400272435125 4554211 COC1=C(C=C(C=C1)C=NNC(=O)C2=CN=CC=C2)CSC3=NC4=CC=CC=C4S3 1 4.267 4 2 -13.8461996527688 4554209 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.273 5 4 0 -31.1136799516038 4554199 CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 3.278 2 6 0 -1.7193988467955 4554174 CC1=CC(=NN1C2=NC3=CC=CC=C3C(=O)N2OCC#C)C 1 3.387 4 2 -9.87775104878272 4554160 CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C 1 3.223 5 2 0 0.775365292445403 4554130 CC(=O)NC1=CC=CC=C1NC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-] 1 2.152 5 3 0 -8.14214835477565 4554103 CC1=C(SC=C1)C(=O)NC2=CC(=NN2C3=NC4=CC=CC=C4N3)C 1 3.745 5 1 -5.79969362623188 4554055 C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2)C5=CC=C(C=C5)O 1 4.192 4 2 6.51477208044198 4553914 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC4=C(C=C3)OCCO4 1 2.489 2 3 -5.10669333889185 4553793 CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)NCC3CCC(CC3)C(=O)O 1 4.367 1 6 0 -20.4668886133528 4553778 COC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NC3CCS(=O)(=O)C3 1 0.261 5 4 0 -23.7246629807853 4553739 CC(C)C(C)NC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)Cl 1 1.911 2 5 0 -22.6289598019148 4553637 CCOC(=O)NN=C(C)C1=CC(=C(C=C1)C)[N+](=O)[O-] 1 2.372 3 4 0 -10.2297729543917 4553517 CC(=NNC(=O)CNC(=O)COC1=CC=CC=C1)C2=CC=C(C=C2)Cl 1 2.223 3 3 -12.075071111207 4553503 CCOC(=O)C1=NNC(C1C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)C 1 3.304 2 4 -6.17240817334299 4553339 CC1CCCC(N1C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C 1 2.574 2 4 -15.5450158324685 4553298 CCOP(=O)(C(CC1=CC=CC=C1)NC(=O)C)OCC 1 1.23 1 4 0 -6.85562046250706 4553292 CC(C(=O)NCC1CCC(CC1)C(=O)O)OC2=C(C=C3C4=C(CCC4)C(=O)OC3=C2)Cl 1 4.442 1 6 0 -24.285297177796 4553284 CCC1=NN=C(S1)NC(=O)CC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.905 4 3 0 -20.3496427656293 4553251 CCOC(=O)C(C1CCC2=C(C1=O)NC3=C2C=C(C=C3)C)O 1 2.985 1 4 -3.01405139317441 4553244 CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NN=NN2C3=CC=C(C=C3)O 1 2.651 5 3 0 -17.6032388468704 4553173 CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)OCC3=C(ON=C3C)C)S(=O)(=O)NC4=CC=CC=C4Cl 1 4.702 3 5 0 -16.796834860262 4553142 CCOC(=O)CC(C1=CC=CC=C1Cl)NC(=O)CC2=CC=C(C=C2)F 1 3.859 1 3 -11.3652504619689 4553140 CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(C3=CC=CC=C3)O 1 3.356 4 3 0 -12.1090706227589 4553138 C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CNS(=O)(=O)C4=CC=CC=C4 1 1.65 2 5 0 -15.2984954322975 4553097 CCCCN1C2=CC=CC=C2N=C1C=NNC3=NC4=CC=CC=C4N3 1 4.325 6 0 3.0880298438249 4553009 C1=CC=C(C=C1)C(=O)NC2=NC(=O)NS2 1 1.859 3 2 0 -9.21226537181789 4553008 CC1C(=O)N(C2=CC=CC=C2N1C(=O)C3CC3)CC4=CC=C(C=C4)[N+](=O)[O-] 1 2.888 3 4 0 -10.632999146495 4553004 CCCCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 3.369 2 4 -15.5215547324998 4552971 CC(=O)OC1=CC=CC(=C1)C=NNC(=O)C(=O)NN=CC2=CC(=CC=C2)OC(=O)C 1 1.553 4 6 0 -6.76740224591538 4552838 CC1=CC=C(C=C1)N(CC(=O)NN=C(C)C2=CC=CS2)S(=O)(=O)C 1 2.072 3 3 -15.893740777304 4552727 COC1=C(SC=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.489 2 4 -4.97489000248952 4552721 CN1CCN(CC1)C2=CC=C(C=C2)C3=CC=NN3C(=O)NC4=CC=CC(=C4)C(F)(F)F 1 4.708 5 1 5.53478983168911 4552577 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)OC3=CC=CC=C3 1 3.289 3 2 2.37065227900289 4552568 CC1=C(SN=N1)SCCNC(=O)C2=C(C=CC=C2F)F 1 2.591 3 1 -13.9594215186246 4552565 C1=CC=C2C(=C1)C(=NC(=N2)Cl)NN=CC3=CC=C(C=C3)Cl 1 4.428 4 0 5.67383595255874 4552558 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2COC3=CC=CC=C3O2 1 1.697 2 7 0 -14.8730567723825 4552556 CCOC1=CC=C(C=C1)NC2=NN=C(CS2)C3=C(N(C(=C3)C)CC4CCCO4)C 1 4.005 4 2 -15.0451085296998 4552534 CC1(CC(=C2C(=NC3=C(N=CN=C3S2)N(C)C)C1)NCCCC(=O)O)C 1 2.191 5 2 0 -17.8751940919118 4552529 C1C(=O)NC2=C(O1)C=CC(=C2)N3C(=O)C=CC3=O 1 0.178 2 4 0 1.51608535556372 4552527 C1CN(CCC1C2=CC(=NN2)C3=C(C=C(C=C3)Cl)Cl)C4=CC(=NC(=N4)N)Cl 1 5.402 6 0 5.78929762003168 4552526 CC1=CC=C(N1C2=C(C=CS2)C3=CC4=NC(=C(C(=O)N4N3)Cl)C)C 1 2.386 4 1 -6.99868358732262 4552466 CC(CS(=O)(=O)CC1=CC=C(C=C1)OC)(C2=CC=CC=C2Cl)O 1 3.288 0 4 -5.23456764270684 4552417 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=O)NC(=O)N2 1 -0.88 4 5 0 -18.2268452239972 4552401 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=S)NC2=CC(=C(C=C2)C)C 1 5.137 3 3 -18.4736403850468 4552388 COC1=CC=CC(=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N(N4)C5=CC=CC=C5 1 2.65 3 3 -17.9021608646103 4552362 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O 1 3.743 1 4 -9.77977628731123 4552327 CC1=CC=CC=C1CN2C(=O)NC3=CC=CC=C3C(=O)N2C(C)(C)C 1 3.362 3 2 -5.125632821836 4552325 CCC(C1=CC=C(C=C1)[N+](=O)[O-])(C(=O)OC)C(=O)OC 1 2.319 1 6 0 -3.6166068800546 4552304 COC1=CC=C(C=C1)C(=O)C2CC2C3=CC4=C(C=C3)OCO4 1 3.363 0 4 -2.88894605696927 4552303 CC1=CC=C(C=C1)C(C)(CS(=O)(=O)CC2=CC=CC=C2Cl)O 1 3.791 0 3 -2.00823945517826 4552273 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(C3=CC=CC=C3)O 1 2.762 2 2 -2.84792641736488 4552216 CC(=O)N1C(C2=C(CCCC2=O)NC1=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.187 3 5 0 -26.4267658850688 4552200 C1=C(C=C(C(=C1Br)O)CNN2C=NN=C2)Br 1 1.746 4 1 0 5.09713969504161 4552166 C1CN2C(N(C(=O)N2C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl 1 3.883 3 1 -3.85302004649479 4552127 CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCC(=O)C2=CC=CS2 1 2.609 2 6 0 -18.1097325987467 4552056 C1C=CCC2C1C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 0.301 5 5 0 -14.0280281779521 4552010 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.867 4 6 0 0.367858156484497 4551957 CCC1=CC=C(C=C1)OCC(=O)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3 1 3.112 1 4 -14.6127185824404 4551925 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(CC#N)CNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.039 4 4 0 -2.88033712603552 4551875 CCCC1CC(OC1=O)CSC2=NC=NN2 1 2.172 3 2 -9.89542291373126 4551850 CCC(C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)N(C)C 1 2.683 6 3 0 -23.9998971650224 4551824 C1COCCN1CCOC2=CC3=C(C=C2)C4=C(C3=NNC(=S)N)C=C(C=C4)OCCN5CCOCC5 1 2.752 5 4 0 -6.12213419014739 4551760 CCN(CC)C(=O)C(=O)C1=CN(C=C1)C2=C(SC=C2C)C(=O)OC 1 2.998 2 4 -9.01805357568507 4551757 CN1C=C(C2=CC=CC=C21)C(=O)NCC3=CC=CC=C3 1 3.12 2 1 -8.12463850291518 4551756 C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3 1 2.916 4 0 6.55371424445046 4551700 CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=CC=C(C=C3)F 1 3.295 2 1 -7.12504099425324 4551656 CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)OCC 1 0.907 3 7 0 -23.4022833441005 4551651 C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 4.882 3 6 0 -9.60865661391328 4551629 CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3 1 4.839 3 3 -10.7465867294048 4551611 CC(=O)C1=CC2=C(C=C1)OCCOCCOC3=CC=CC=C3OCCOCCO2 1 2.709 0 7 0 -6.72292715631314 4551550 CC1=CC=C(S1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C(C)C 1 2.38 8 2 0 -20.2352615441075 4551502 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)N(C(C)C)C(C)C 1 1.938 2 5 0 -17.3990208402951 4551332 C1=CC=C(C=C1)C(=O)C=NNC(=O)COC2=CC(=CC=C2)Br 1 3.045 2 3 -4.25684519691503 4551247 C1CCN(C1)C(=O)CSC2=NC=NC3=CC=CC=C32 1 2.195 3 1 -7.68978627731126 4551178 CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)OC)Cl 1 -0.501 3 3 0 -7.36392968468964 4551138 CCC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)C)C3=NC4=CC=CC=C4S3 1 2.898 3 2 -7.7352940045007 4551126 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F)S(=O)(=O)N4CCCCC4 1 3.828 3 5 0 -17.8533372718642 4551121 CC1=NN(C(=C1C(=O)NCC2CCCO2)Cl)C3=CC=CC=C3 1 2.365 3 2 -11.8319642805355 4550954 CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)OC)C(C)C 1 0.285 3 3 0 -9.71288921386249 4550780 CCN(CC)C(=O)C(=O)C1=CC=CN1C2=C(C(=CC=C2)OC)C#N 1 2.857 3 3 -10.2502429504601 4550777 CCN1C=C(C2=CC=CC=C21)C(=O)N3CCOCC3 1 1.779 2 2 0 -10.4239839801973 4550622 CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)N(C)C4CCS(=O)(=O)C4 1 2.305 3 3 -29.4232353473395 4550619 CC(=NNC1=CC=C(C=C1)F)C2=CC(=C(C=C2)N3CCOCC3)F 1 3.69 3 1 0.333296643854489 4550617 CC(C(C(=O)OCC1=NN=C(O1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O 1 2.162 3 6 0 -14.859838887476 4550586 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)C4=CN=CC=C4 1 3.249 3 2 -9.34346713974302 4550543 CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)N)NC(=O)C3=CC4=C(C=C3)OCCO4)C 1 2.257 3 4 0 -20.2357379804296 4550538 COC1=C(C=C(C(=C1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)N5CCCCCC5)OC 1 4.133 2 6 0 -12.564659014214 4550499 COC1=CC=CC(=C1)C(=O)NCCN2C=CC3=CC=CC=C32 1 3.169 2 2 -12.4565195565933 4550436 C1=CC=C(C=C1)C2C(=O)N(C(=NC3=CC=CC=C3)S2)S(=O)(=O)C4=CC=CC=C4 1 4.958 2 3 -7.44421490130627 4550426 CCN(CC)C1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3N2 1 3.728 5 0 -0.659025145063766 4550416 CC1CN(CC(O1)C)CC(=O)NC2=CC(=NN2C3=NC4=CC=CC=C4S3)C 1 2.658 5 2 0 -8.68791106861657 4550377 C1=CC(=CC=C1NC2=NC=CC(=N2)Cl)[N+](=O)[O-] 1 2.253 4 2 -4.91345208337328 4550360 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC=CC=C3F 1 3.099 2 5 0 -12.4917634810871 4550328 CC1(OCC(O1)CN2C=NC3=C2N=CN=C3OC)C 1 0.179 4 3 0 -5.26018004246246 4550282 CC1CN(CC(O1)C)C(=O)COC(=O)C2=C(C(=CC=C2)C)C 1 2.366 1 4 -12.9634460216761 4550256 CC1=CC=C(C=C1)CCN2C(=O)CCC2(C)C(=O)NCC3=CN=CC=C3 1 2.165 3 2 -8.08666554034988 4550247 CCOCCCNCC1=CC=C(C=C1)Cl 1 2.312 1 1 -1.67646714139242 4550191 CCN1C(=C(C=N1)CNC(=O)C2(CC2(Cl)Cl)C)C 1 1.513 3 1 0 -6.59052810515961 4550187 CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)C3(CC3(Br)Br)C)C 1 3.933 3 1 -7.00461447878715 4550100 CC(C)(C)C(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CCOC 1 3.458 3 4 0 -8.82632499754778 4549989 COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=CS3 1 2.262 2 3 -12.0018969358064 4549948 CC1=CC=C(C=C1)N2C(=O)C(C(=C2N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5 1 4.756 3 1 -0.137130050259257 4549814 CCOC1=C(C=C(C=C1)CN2C(=CC(=C2C)C(=O)OCC)C)OC 1 3.524 1 4 -14.9378597225597 4549783 CCOC(=O)C1CCN(CC1)C(C2=CC(=CC=C2)OC)C3=C(N4C(=NC(=N4)C)S3)O 1 3.139 4 4 0 -7.16402538596972 4549600 C1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3C(=O)NC4=O 1 0.601 3 5 0 -16.8623917814645 4549595 CC(C)CC(C(=O)OCC(=O)C1=C(N(C(=O)N(C1=O)C)C)N)N2C(=O)C3=CC=CC=C3C2=O 1 0.842 4 7 0 -23.7502112268199 4549561 CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C 1 3.605 5 3 0 -12.1455610316347 4549511 COC(=O)C1=CC=C(C=C1)CNCC(COC2=CC=C(C=C2)C3=CC=CC=C3)O 1 3.863 1 4 -1.10202763666593 4549492 CC1=CC2=C(N1)C=CC(=C2)CNC(=O)C3=CC(=C(C=C3)OC)OC 1 3.027 2 3 -11.1939661165838 4549486 CC1=CC2=C(N1)C=CC(=C2)CNC(=O)C3=CC(=CC=C3)OC 1 3.044 2 2 -7.18379392638251 4549431 C1=CC(=CC=C1CC(C(=O)O)N)OC(F)F 1 -0.8 1 3 0 -0.97999007776422 4549382 COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C(=C(C(=NC4CCCCC4)S3)C(=O)N)N 1 2.627 4 4 0 -13.0787812650965 4549328 CC1=CC(=C(C=C1)NC2=C(C(=C(C(=C2F)OC)F)F)C(=O)O)C 1 4.582 1 3 0.579186018717915 4549326 CC1=CC(=CC(=C1)NC2=C(C(=C(C(=C2F)OC)F)F)C(=O)O)C 1 4.582 1 3 0.97680841462651 4549324 CC1=CC(=CC=C1)NC2=C(C(=C(C(=C2F)OC)F)F)C(=O)O 1 4.096 1 3 3.39881664529893 4549322 CC1=CC=C(C=C1)NC2=C(C(=C(C(=C2F)OC)F)F)C(=O)O 1 4.096 1 3 1.1184298404372 4549320 COC1=C(C(=C(C(=C1F)F)C(=O)O)NC2=CC=CC=C2)F 1 3.61 1 3 0.961775702063853 4549318 CC1=CC(=C(C=C1)C)NC2=C(C(=C(C(=C2F)F)F)F)C(=O)O 1 4.804 1 2 -0.569470395389284 4549316 CC1=CC=CC=C1NC2=C(C(=C(C(=C2F)F)F)F)C(=O)O 1 4.318 1 2 -0.642087669449841 4549290 CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCC3(CC2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.196 2 6 0 -17.3939617908562 4549289 CC(=O)NC1=C(C=CC(=C1)C(=O)NCCCOC)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.857 2 5 0 -20.9113115466796 4549280 CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.046 3 2 -2.57853851271045 4549231 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)NC1=S 1 3.091 3 5 0 -17.1147199850948 4549154 CC1=CC(=C(C=C1)NC2=C(C(=C(C(=C2F)F)F)F)C(=O)O)C 1 4.804 1 2 -0.839735990436617 4549150 CC1=CC(=CC=C1)NC2=C(C(=C(C(=C2F)F)F)F)C(=O)O 1 4.318 1 2 1.97989463614439 4549148 CC1=CC(=CC(=C1)NC2=C(C(=C(C(=C2F)F)F)F)C(=O)O)C 1 4.804 1 2 -0.442113594528023 4549146 CC1=CC=C(C=C1)NC2=C(C(=C(C(=C2F)F)F)F)C(=O)O 1 4.318 1 2 -0.300492168717331 4549133 C1CCCN(CC1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F 1 2.116 4 3 0 -24.8854371603163 4549129 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC=CS3 1 1.171 3 4 0 -22.4093618590025 4549060 CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5 1 4.022 3 4 0 -23.0042311959324 4549058 COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCN4CCOCC4)OC 1 2.522 4 7 0 -29.1847547378603 4549057 CCCCCN(C(=O)NC(=O)NC1=CC=C(C=C1)C)S(=O)(=O)C2=CC=CC=C2 1 4.354 3 4 0 2.91134290770473 4549053 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=C(C)C3=CC=CO3)C 1 3.491 4 2 -13.1034638396942 4548754 CC(=O)NC1=C(C=CC(=C1)C(=O)NCC2=CC=CO2)SC3=CC=C(C=C3)F 1 3.247 2 3 -10.7596347454903 4548746 CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCC3=CC=CC=C3C2)SC4=CC=C(C=C4)F 1 4.346 2 2 -9.95700504832612 4548678 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)N=C3C4=CC=CC=C4C(=N3)N 1 3.019 4 3 0 -4.15253502199825 4548614 CC1=CC(=NO1)NC(=O)C2(CC2(Br)Br)C 1 1.924 2 2 0 -12.2646192226827 4548579 CC1=CC=C(C=C1)NC2=NN=C(S2)SC(C)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.999 6 2 0 -19.5423853662896 4548561 C1COCCN1C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3 1 0.179 4 4 0 -25.8654692319935 4548510 C1COC2=C(O1)C=CC(=C2)N3C(C(C3=O)(F)F)C4=CC=CC=C4 1 2.945 1 3 -2.99528981337463 4548503 COC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=O)N5C=C(C=CC5=N4)Cl 1 4.006 5 2 0 -10.7959178029856 4548500 CCCCN(C)C(=O)CSC1=NC2=CC=CC=C2C(=N1)NCC3=CC=C(C=C3)OC 1 4.487 4 2 -10.6024156493651 4548456 CCN1C=C(C(=N1)C)C2C3=C(CCCC3=O)NC(=C2C(=O)NC4=NC=C(C=C4)Br)C 1 2.457 5 2 0 -38.1124224742718 4548237 C1CCC(C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)F 1 2.678 3 3 -0.818779121044125 4548235 CC(C)CC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)F 1 2.383 3 3 -8.28746886161264 4548234 CCC(CC)C(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)F 1 3.05 3 3 -5.51035553580384 4548165 CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCN4CCOCC4)SC5=CC=CC=C5C2=O 1 4.213 3 3 -5.59048581452133 4548157 CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCCN4CCOCC4)SC5=CC=CC=C5C2=O 1 4.275 3 3 -5.78327325303681 4548112 CC(=NO)C1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)C7=CC=C(C=C7)C(=NO)C 1 1.608 4 6 0 -1.54171187233616 4548102 CC(=O)C1=C(C(=O)OC1C2=CC=C(C=C2)Cl)O 1 1.817 0 4 0 -5.31461093113681 4548089 CCOCCCNCC1=C(C=CC=C1Cl)Cl 1 2.976 1 1 -5.16114766628103 4548073 C1C(=NN(C1(C(F)F)O)C(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Cl)C(F)F 1 3.586 2 4 -2.81535587110749 4548052 CC(C)C(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)F 1 2.137 3 3 -7.69622285658062 4548050 CCCC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)F 1 2.131 3 3 -9.73644581309455 4548017 CCCCCCC(=O)NN=CCC1=CC=CC=C1 1 3.438 2 1 -9.75641884543728 4547904 CC1=C(C2=CC=CC=C2N1)C(C[N+](=O)[O-])C3=CC(=C(C=C3)O)OC 1 3.728 2 4 0.318987205740259 4547826 CCC1CCCCN1CC2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)C 1 3.177 5 2 0 -16.3592956207965 4547808 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(=O)C4=CC=CO4)CC(=O)N 1 -0.703 7 5 0 -16.6645515193925 4547792 COC1=NC=C(C=C1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.789 4 4 0 -7.0443777297248 4547761 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=C(C=C2)OC)OC)C3=CC=CC=C3 1 1.679 3 5 0 -11.8568093356975 4547704 CC1=C(C=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br)Cl 1 7.904 2 2 -14.1690685099799 4547650 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.022 1 5 -21.0021030744448 4547649 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=CC=C2Br 1 3.475 1 3 -13.4802403654539 4547646 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCCC2=CCCCC2 1 3.477 1 3 -20.0784744406654 4547589 CC(C)(C)C(=O)C1=C(C(=O)N(C1C2=CC=CC=C2Cl)CC3=CC=CC=C3)O 1 4.506 1 3 -17.1307854249926 4547450 C1CC1C(=O)N2CCN=C2SCC3=CC=CC=C3 1 2.985 2 1 -14.6333666029702 4547438 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4 1 2.083 3 4 0 -19.32868368003 4547303 COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)N 1 3.721 1 2 0.638202854060672 4547253 CC1=CC(=CC=C1)N2C(=NN=C2SC(C)C)CC3=CC(=O)NC(=O)N3 1 2.62 5 2 0 -11.7682664945976 4547230 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3)C 1 2.735 2 3 -8.87085638765462 4547204 C1COCCN1CCCNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-] 1 3.145 3 4 0 -7.94970301946755 4547202 C1COCCN1CCCNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-] 1 3.688 3 4 0 -8.29624109944742 4547199 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3Cl)[N+](=O)[O-] 1 4.692 3 3 -14.2470260851542 4547196 C1=CC=NC(=C1)C(=O)NNC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)[N+](=O)[O-] 1 2.557 5 4 0 -17.0948477811326 4547176 CC1=CC(=C(C(=C1C)C2=NON3N2C4=CC=CC=C4N3C(=O)C)C)C 1 4.045 4 2 -2.40644297572004 4547136 C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCCl)CCCl 1 3.69 3 4 0 -22.8245330453118 4547122 CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CC=C3Cl)N 1 3.337 5 1 -11.2094461553638 4547045 C=CCC1=CC=CC2=C1OC(=O)C=C2 1 2.907 0 2 -4.81796585716266 4547029 C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.433 3 5 0 -16.4949210782635 4546740 C1CC(=O)NN=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2 1 0.197 4 4 0 -25.4547774325202 4546712 CCOC(=O)C1=CC=C(C=C1)CC2C(=O)N=C(S2)N 1 2.344 2 3 -9.17339155882655 4546684 CC1=C(C(NC(=O)N1)C2=CC=C(O2)C3=CC=C(C=C3)F)C(=O)OCCOC 1 2.237 2 5 0 -26.1535110773862 4546682 C1=CC=C2C=C(C=CC2=C1)C3=C(SC(=N3)N)C4(C5=CC(=CC(=C5NC4=O)Br)F)O 1 4.064 3 2 10.1569611899967 4546489 CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C)[N+](=O)[O-] 1 3.549 3 4 0 -10.3371161325319 4546463 CC1=CC(=NC2=CC=CC=C12)SC3CCOC3=O 1 3.306 1 2 2.35445284517745 4546458 CSCCC1C(=O)N(C(=O)N1)CC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl 1 2.486 3 3 -9.16189650387477 4546434 CN1C(C2=C(CCCC2=O)N(C1=O)C)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.608 3 4 0 -19.0165769055294 4546357 COC1=C(C(=C(C=C1)C=NNC2=CC=CC=N2)OC)OC 1 2.788 3 3 2.52508288025833 4546355 CCCCCC1=CCCC1=NNC(=O)C2=CC3=C(C=C2)OCO3 1 3.968 2 3 -12.0728276894736 4546246 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC 1 1.438 2 7 0 -16.9319337052451 4545957 C1CC(OC1)CNC(=S)NC(=O)C2=CC=CO2 1 1.665 2 3 0 -13.4801184683993 4545900 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NN=CC2=CC=CC=N2 1 0.971 4 5 0 -14.7989734497928 4545874 CCN(CC)C1=C(C=C(C=C1)NC(=O)C2=CNC(=O)C=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 1.752 4 5 0 -16.5578135685344 4545833 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=O)NC(=O)N3)Cl)C 1 2.127 4 5 0 -13.7191466821341 4545832 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=N2)S(=O)(=O)N3CCOCC3 1 1.183 3 4 0 -20.2277470897967 4545811 COC1=CC=CC=C1CC(=O)NC2CCCC3=CC=CC=C23 1 3.655 1 2 -10.0136074561366 4545792 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2Cl 1 2.204 3 4 0 -13.7968438570633 4545742 CC(C)NC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3 1 1.135 4 7 0 -28.8778158098379 4545544 CC(=NNC1=CC=CC=N1)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.494 4 3 0 -5.87046042800297 4545540 CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 3.003 1 5 -20.5481120336597 4545528 CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)C4=CC=NC=C4 1 2.017 7 3 0 -19.6735790746398 4545471 COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C(=N)N(C=N5)CCN6CCOCC6 1 3.783 4 3 0 -5.4083677801918 4545460 CC1=CC=C(O1)C(=O)NC2=CC(=C(C=C2)N3CCCC3)S(=O)(=O)NC4=CC=CC=C4OC 1 3.249 3 5 0 -6.45972360463317 4545323 CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C)C 1 2.116 1 3 -7.48304937753728 4545320 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=C(C(=C(N3)C)C(=O)C)C)C)C 1 4.317 3 4 0 -11.4550908017123 4545319 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2.689 2 4 -14.980239413361 4536143 CCC(C)NC(=O)C1=CC=CC=C1C2=NC3=CC=CC=C3N2 1 3.728 3 1 -9.28601237323782 4536117 C1COC2=C(O1)C=CC(=C2)C3=NN=C(SC3)NC4=CC=C(C=C4)SC(F)F 1 4.873 3 2 -3.70059064011012 4536057 CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)N(C)C3CCS(=O)(=O)C3 1 1.559 4 3 0 -24.1751467599391 4536024 CC(C)(C)C1CCC2=C(C1)C(=NO2)C(=O)NC3=CC(=CC=C3)O 1 3.804 2 3 -11.0551859908601 4536014 C1=CSC(=C1)C(=NNC(=O)COC2=CC=C(C=C2)C#N)CCC(=O)O 1 2.176 3 4 0 -13.1110567914692 4535995 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)C3=CC(=CC=C3)NC(=O)C 1 0.588 4 5 0 -26.1592616498179 4535878 C1CCC(C1)CCC(=O)NC2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 2.259 2 4 -16.3674903117753 4535791 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)[N+](=O)[O-] 1 1.585 3 7 0 -18.4207026256189 4535779 CC1=CC(=C(O1)C)C(=O)NN=C(C)C2=CC3=C(C=C2)OCO3 1 1.826 2 4 0 -10.4119862614907 4535731 CC1(CC2CC(C1)(CN2C(=S)NC3=CC=CC=C3)C)C 1 5.089 2 0 -14.3718331012951 4535713 CC1=C(C=C(C=C1)N2C(=O)CN(C2=S)CC3=CC=CS3)C 1 4.547 2 1 -6.19576152218456 4535712 CC1=CC(=CC=C1)N2C(=O)CN(C2=S)CC3=CC=CS3 1 4.061 2 1 -4.52417241984752 4535710 CCC1=CC=C(C=C1)N2C(=O)CN(C2=S)CC3=CC=CS3 1 4.517 2 1 -6.54997911369421 4535707 CC1=CC(=CC=C1)N2C(=NC3=C2C=CC(=C3)C(=O)NCC4CCCO4)C 1 3.441 3 2 -9.22863188735579 4535706 CC1=CC(=CC=C1)N2C(=NC3=C2C=CC(=C3)C(=O)N4CCOCC4)C 1 2.976 3 2 -3.8376789090806 4535663 CC(C(=O)NC1CCCC1)SC2=NN=NN2C3=CC=CC=C3 1 2.746 5 1 -18.6789524624794 4535586 C1CCC(C(C1)C2=CC=CC=C2)C3=CC=CC=C3O 1 5.063 0 1 4.92305713905414 4535574 C1CC(OC1)CNC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)F)Cl 1 1.538 2 3 0 -14.2265183835807 4535572 CC1=CC2=NC(=C(N2C=C1)NC3=CC=CC=C3)C4=CC=CC=N4 1 4.37 4 0 -1.20026608631098 4535571 COC1=CC=C(C=C1)NC(=S)N(CCCN2CCCC2)CC3=CC=CS3 1 5.017 3 1 -5.97843410937714 4535546 C1CCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NCC4=CC=CS4 1 2.473 3 3 -19.4595265251955 4535474 C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)N 1 2.245 2 3 -6.72376303270311 4535447 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CN(C)CC2=CC=CC=C2 1 1.657 3 3 0 -11.9188907386744 4535395 CC1CCCCC1NC(=O)CON=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC 1 5.148 2 4 -10.2027086201571 4535363 CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(O2)NCCCN3C=CN=C3)C#N 1 3.097 5 1 5.31873263317525 4535311 COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CN3CCOCC3)CC(=O)N4CCCCCC4)OC 1 1.335 4 5 0 -12.579452074419 4535221 CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC4=C(C=C3)OCO4 1 2.579 2 4 -13.1730292919978 4535082 CC(C(=O)NN=CC1=CC=CC=C1OCC2=CC=CC=C2)NC3=CC=C(C=C3)Br 1 5.143 3 2 -6.75228676603619 4535066 COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C5=NC(=NN5C=N4)C6=CC=CC=N6)OC 1 4.148 5 4 0 -7.39734988215638 4534842 CCOP(=O)(C(C(=O)C1=CC=CC=C1)NC(=O)C)OCC 1 1.059 1 5 0 -10.6599986771122 4534789 C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)NCCOCCO 1 3.405 4 2 -13.1303425645112 4534767 COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32)Cl 1 3.093 3 3 -3.09794113304834 4534652 CC1=CC=C(C=C1)S(=O)(=O)N(C(C)C(=O)O)OCC2=CC=CC=C2 1 2.828 1 5 -6.00241381390144 4534611 CN1C=C(C2=CC=CC=C21)SCC(=O)NC3CCCCC3 1 3.789 2 1 -11.1804348877262 4534610 C1CC(=O)N=C2N(C1)N=C(S2)SCC(=O)NC3=CC=CC=C3C(F)(F)F 1 3.701 4 2 -15.8170556857623 4534512 CCC(C)NC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCCCC3 1 1.232 4 4 0 -31.5516644886605 4534488 CC1=C(SC2=C1C(=O)N(C(=O)N2CC3=CC(=O)N4C=CC=CC4=N3)C5=CC=C(C=C5)Cl)C 1 3.38 4 3 0 -13.4724388387482 4534458 CN(C)CCCNC1=CC(=O)CC(C1)C2=CC=CC=C2 1 1.876 2 1 0 -8.81319164851052 4534452 CCCC1(C(=O)NC(=NC1=O)NCCC2=CC(=C(C=C2)OC)OC)CCC 1 3.789 3 4 0 -7.47697132405779 4534398 C1CCC(=NCC1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.861 2 2 -6.48185422982022 4534396 CC1=C(C=C(C=C1)NC(=O)NCCCl)S(=O)(=O)N2CCOCC2 1 0.902 3 4 0 -20.8271693919305 4534371 COC1=CC=C(C=C1)NC(=S)NN=CC2=CC=CN2CC3=CC=CC=C3F 1 5.449 4 1 -8.13694949769079 4534354 CC1CCCCC1=NNC(=S)NC2=CN=CC=C2 1 3.122 4 0 -8.55149635737394 4533503 CCOC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)C 1 3.424 1 4 -11.1995017287079 4533482 CC1=CC(=NC2=NC(=CN12)CSC3=CC=CC=N3)C 1 2.479 4 0 -3.91683652835793 4533455 CC1=CC=C(C=C1)NC=C2C(=O)CC(CC2=O)C3=CC=CO3 1 2.52 1 3 -12.0929114951179 4533416 C1CC(CN(C1)C2=NC(=C(C(=C2C#N)CC#N)C#N)N)O 1 0.174 6 1 0 -4.40203365752141 4533299 CC(C)C(=O)NC1=NN=C(O1)C2=CC=CC=C2 1 1.92 3 2 0 -5.29445088323884 4533272 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN=C2SC 1 1.425 3 3 0 -12.0959247488525 4533271 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Cl 1 3.143 3 6 0 -18.1124051482464 4533256 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C)C 1 3.379 4 5 0 -16.5662099690734 4533194 CC1=C(C=C(C=C1)S(=O)(=O)NN=C(C)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 2.515 3 6 0 -9.89770126299607 4533115 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CO3 1 1.976 1 6 0 -11.2152511893262 4533090 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 0.666 4 6 0 -23.7149366904533 4533043 COC1=C(C=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 1.424 3 7 0 -25.8195886669179 4533035 CCC(C)N1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2CC5=CC=C(C=C5)OC 1 4.489 5 2 0 -7.31286914864965 4532941 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC=CC=C2OCC 1 3.607 1 4 -14.2304200975596 4532886 COCCNC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CN=CC=C4 1 3.323 4 3 0 -29.6718488828758 4532874 COC1=CC=C(C=C1)C2=NC3=C(N2CCO)C(=O)NC(=O)N3CC4=CC=CC=C4 1 2.646 4 4 0 -1.72941729732463 4532808 C1CS(=O)(=O)CC1NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-] 1 -0.582 4 6 0 -19.7169008525881 4532783 CC(C1CC2CCC1C2)NC(=S)NCCCN3CCOCC3 1 2.788 3 1 -10.873394906122 4532582 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)N(C)C)CC4=CC=CO4)O 1 2.854 2 5 0 -16.0580312089949 4532541 CC1(CC(CCO1)(CCN)CC2=CC=CC=C2Cl)C 1 3.101 1 1 -0.664619639115918 4532536 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC3CC3 1 2.508 2 3 -9.31674042724556 4532399 C1=CC=C(C=C1)S(=O)(=O)C2=C(N=CC(=C2)[N+](=O)[O-])N 1 1.468 3 4 0 -9.49717494811872 4532368 CC1=C(C(=CC=C1)NC(=S)N2CC3CC(C2)C4=CC=CC(=O)N4C3)C 1 3.899 3 1 -9.09255145218568 4532276 CC(C)CC(C)NNC(=O)C1=CC2=CC=CC=C2N1 1 3.089 3 1 -0.930456986055097 4532204 C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=NC=C3)NC4=C5C=C(C=CC5=NC=C4)[N+](=O)[O-] 1 4.645 6 3 0 -3.87948172788958 4532063 CC1=CC(=C(C(=C1)C)NC(=O)C2CCCN2CCC(C)C)C 1 4.591 2 1 -10.6548841755969 4532024 CC1=CC(=C(C=C1)OCC(=O)NN=C(C)CC(=O)NCC2=CC=C(C=C2)Cl)Br 1 3.696 3 3 -8.34298633188211 4531976 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)F)C(=O)O 1 1.657 3 4 0 -10.481129636689 4531942 CCSC1=NN=C(S1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 0.442 7 3 0 -30.3698940837858 4531915 C1=CC=C(C=C1)CSC2=C(C=CC=N2)C=O 1 3.103 1 1 -6.95500258589941 4531891 C1COCCN1C2=NC(=NC(=N2)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NC5=CC=CC=C5Cl)N6CCOCC6 1 3.349 8 3 0 -11.3766178132344 4531863 CCN(CC)CC(C)CNC(=O)C1(C2=CC=CC=C2NC(=O)N1C3=CC(=C(C=C3)Cl)Cl)O 1 4.07 4 3 0 -6.41260513513563 4531843 CCCCN(C)CCCNC(=O)C1(C2=CC=CC=C2NC(=O)N1C3=CC=C(C=C3)Cl)O 1 3.588 4 3 0 -7.13404613641513 4531782 CC(C)CCNC(=O)C1CC(=O)N(C1)C2CCCC2 1 1.715 2 2 0 -20.4443731303193 4531637 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2CC=C 1 1.332 5 3 0 -27.4987605441897 4531636 C=CCN1C(=NN=N1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.419 5 1 -20.0477711891929 4531635 COC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2CC=C 1 1.46 5 2 0 -24.8265499879618 4531633 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=CC=CC=C3 1 2.246 8 1 0 -17.6280736909438 4531488 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C3C(=O)N4C5=CC=CC=C5N=C4S3 1 4.799 3 3 -10.5322483165132 4531342 C1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC=C(C=C2)Br 1 2.129 2 3 -11.7052594088188 4531288 COC1=CC=C(C=C1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3 1 4.087 2 3 3.3713929768917 4531221 CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3OC)C 1 3.012 2 6 0 -17.8017780600302 4531204 C1CN(CC2=CC=CC=C21)C(=O)CCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 1 3.082 3 4 0 -13.9884872621467 4531171 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=COCCO3 1 0.77 2 5 0 -17.5268225824398 4531146 CC1CCCC(C1C)NC(=O)COC(=O)CC2CCCC2 1 3.425 1 3 -13.3076700112933 4531049 CC(=O)COC(=O)C1=CC(=CC=C1)N2C(=O)C3C4CC(C3C2=O)C=C4 1 1.124 1 5 0 -8.50520988003573 4530998 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N3CCCC3)C 1 1.056 3 2 0 -16.1026312727623 4530884 C1CC2=C(C1)C=C(C=C2)NC(=O)NC3=CC=CC=C3 1 3.579 2 1 -6.18184780261882 4530868 CC1=NC(=NN1)SCC(=O)NC2=CC=CC(=C2)C(=O)O 1 1.179 4 3 0 -10.739803236555 4530805 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)OCC4CCCO4 1 3.915 2 4 -10.3598364899246 4530786 CCOC1=C(C=C(C=C1)C(=O)NNC2CC(=O)N(C2=O)CCC3=CC=CC=C3)OC 1 1.886 3 5 0 -15.0321927898349 4530751 C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=CO3)C4=CN=CC=C4 1 2.57 5 2 0 -5.70533677548703 4530750 C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=NN=C(O4)C5=CC=CC=C5 1 3.785 2 3 -4.54368968819241 4530719 CN1C(=NN=N1)SCC(=O)NC2=NN(N=C2C(=O)N)C3=CC=CC=C3 1 0.406 9 2 0 -20.7455872449058 4530718 CCCCCC#CCN1CCN(CC1)C23CC4CC(C2)CC(C4)C3 1 5.386 2 0 -2.24732135435599 4530668 C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)F)C(=O)COC3=CC=C(C=C3)Cl 1 3.04 1 4 -10.8894172723331 4530657 C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N(C(=N3)C4=CC(=C(C=C4)OC5=CC=C(C=C5)F)[N+](=O)[O-])CCO 1 4.323 5 6 0 -1.50275233032823 4530637 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=NOC(=C3)C)C4=CC=CC=C4 1 2.681 4 3 0 -27.3803933332316 4530632 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CO3)C4=CC=CC=C4 1 2.731 3 3 -24.3228226649817 4530610 CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC=CC=C3F)[N+](=O)[O-] 1 3.622 2 5 0 -13.4741782231893 4530608 C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC=CC=C3F)[N+](=O)[O-] 1 3.826 2 5 0 -10.7850686192849 4530605 C1COCCN1C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-] 1 3.15 2 4 -4.63686062056648 4530561 CC(=O)NC1=CC=CC=C1C(=O)C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3 1 2.412 3 4 0 -18.2811385379565 4530558 CC(=O)NC1=CC=CC=C1C(=O)C(=O)NC2=CC=CC(=C2)C(=O)NC3CC3 1 1.318 3 4 0 -16.9410560848857 4530551 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=NC4=C(C(=C(S4)C)C)C(=O)N3 1 2.67 3 5 0 -17.8165835963265 4530397 CC1CCCCN1C2=NC3=NON=C3N=C2NC4=CC=CC=C4OC 1 2.301 6 2 0 -17.4103317195753 4530384 CC1CC(CN(C1)C(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C 1 1.721 3 4 0 -17.2307759970634 4530383 CC(C)C(C(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)NC(=O)C3=C(C=CC=C3F)F 1 3.655 3 3 -13.3557373131219 4530320 CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=O)C(=O)C3=CC=CC=C3NC(=O)C 1 2.898 3 4 0 -17.2979106361645 4530316 CC(=O)NC1=CC=CC=C1C(=O)C(=O)NC2=CC=CC(=C2)C(=O)N3CCC4(CC3)OCCO4 1 1.099 3 6 0 -17.4969205000534 4530306 CCN1C2=C(C=CC(=C2)C(=O)NCCCN3CCCCC3)SC4=CC=CC=C4C1=O 1 3.784 3 2 -7.49282722179132 4530303 CCN1C2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)SC4=CC=CC=C4C1=O 1 2.554 3 3 -9.8914334327034 4530290 C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N 1 3.259 3 4 0 -13.7646618932733 4530177 CCCCN1C(=NC(=C1SC2=NC=C(C=C2)Cl)[N+](=O)[O-])CCC 1 5.365 4 2 -4.62857006886237 4530135 CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCC5(CC4)OCCO5)C)C 1 3.85 2 6 0 -12.9207362610743 4530126 COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4 1 1.287 3 6 0 -20.1058709452474 4530119 C1COCCN1C(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=C(C=CC=C4F)F 1 3.092 3 3 -20.0816880403703 4529941 C1=CC=C(C(=C1)NC(=O)NC2=C(N=CC=C2)Cl)F 1 2.451 3 1 -5.03205312203901 4529904 CC(CC(=O)NC1=NN=CS1)CC(=O)O 1 -2.3e-002 3 3 0 -12.3716508902765 4529864 CC(C1CC2CCC1C2)NC(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)OC)O 1 3.216 2 7 0 -10.0789535984572 4529859 C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)N 1 0.214 1 4 0 -5.55388097822646 4529733 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-] 1 2.617 4 4 0 -5.41262050146626 4529660 CN1C(=C(C(=N1)C2=CC=CC=C2)C=NO)Cl 1 2.712 3 1 8.55516275638797 4529573 COC1=CC=CC=C1N2CCN(CC2)CCCCCCOC3=CC=C(C=C3)F 1 5.325 2 2 5.07219891335251 4529534 C1=CSC(=C1)CNC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 2.884 2 3 -17.8963723439945 4529481 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=NOC(=O)NC(C)C)C 1 3.801 3 2 -2.00954361179491 4529459 C1=CC(=CC2=C1C=CC(=O)O2)OCC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O 1 3.129 1 6 0 -11.9945420259865 4529436 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC(=CC=C3)OC)C4=CC=NC=C4 1 1.63 9 3 0 -25.5043340835683 4529358 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C1=COC(=C1)CNC(=O)CSCC2=CC=C(C=C2)F 1 2.409 1 2 -14.2167656324847 4523826 CC1=CC=CC(=N1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.138 4 3 0 -8.05930547379468 4523748 CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)CC3=CC=C(C=C3)OC 1 3.243 4 2 -11.4639800108609 4523723 CC1=CC=CC2=C1OCCC2=NNC(=O)COC3=CC=CC=C3 1 2.903 2 3 -6.16967368756811 4523614 COC1=CC=C(C=C1)NC(=O)C2CCOC2=O 1 1.021 1 4 0 -4.55109948678129 4523613 COC1=CC=CC=C1NC(=O)C2CCOC2=O 1 1.021 1 4 0 -7.03192318175716 4523612 COC1=CC=CC(=C1)NC(=O)C2CCOC2=O 1 1.021 1 4 0 -4.19439409209362 4523610 CCCC1CCC2=C(O1)C3=CC=CC=C3NC2=O 1 2.788 1 2 -7.66559880953305 4523608 CCCC1CC(C(=O)O1)C(=O)NC2=CC=CC=C2 1 2.394 1 3 -3.20310221215202 4523607 CCC1CCC2=C(O1)C3=CC=CC=C3NC2=O 1 2.332 1 2 -7.94120312593113 4523606 CCC1CCC2=C(O1)N(C3=CC=CC=C3C2=O)C 1 3.623 1 2 -1.84806396513247 4523585 C1CC2CC1C3C2C(=O)N(C3=O)CC4=CC=CC=C4 1 2.138 1 2 -5.05402936355029 4523546 CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=CSC(=N3)NC(=O)CCC(=O)NC4CCC(CC4)C 1 3.79 3 5 0 -13.6301139143411 4523543 CCC1=CC=CC=C1NC(=O)CC2=CN(C3=CC=CC=C32)C 1 4.091 2 1 -6.99607845720741 4523542 CN1C=C(C2=CC=CC=C21)CC(=O)NCC3=C(C=C(C=C3)OC)OC 1 3.123 2 3 -9.8981196958408 4523541 CC1=CC=CC=C1NC(=O)CC2=CN(C3=CC=CC=C32)C 1 3.635 2 1 -7.21297480306922 4523499 CCC(=O)NC1=CC(=C(C=C1)N2CCOCC2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 1.938 3 5 0 -6.37406373266091 4523473 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 2.893 2 5 0 -19.229066798987 4523467 CCC1CCC2=C(O1)NC3=CC=CC=C3C2=O 1 3.27 1 2 -6.31086725586329 4523466 CCCCCCCCC1CC(C(=O)O1)C(=O)NC2=CC=CC=C2 1 4.675 1 3 -4.55706517990666 4523465 CC(C)C1CC(C(=O)O1)C(=O)NC2=CC=CC=C2OC 1 2.241 1 4 -5.80091255487205 4523425 CC1=CC=C(C=C1)CNC(=O)CC2=CN(C3=CC=CC=C32)C 1 3.642 2 1 -8.49896938271422 4523421 CCC1=CC(=CC=C1)NC(=O)CC2=CN(C3=CC=CC=C32)C 1 4.091 2 1 -3.72791807404507 4523318 CCN(C1CCCCC1)C(=O)C2=CC3=C(N2C)N=C4C=CC=CN4C3=O 1 2.674 4 2 -14.4183413253023 4523316 CN1C(=CC2=C1N=C3C=CC=CN3C2=O)C(=O)N(C)C4CCCCC4 1 2.325 4 2 -13.0973328736866 4523283 CC1=C(C(=C(S1)NC(=O)C2CCCCC2C(=O)O)C(=O)N)C3=CC=C(C=C3)C(C)(C)C 1 4.114 2 4 -2.98200417829935 4523242 CC(C(=O)NC1=C2CSCC2=NN1C3=CC=CC=C3)Cl 1 2.835 3 1 -3.07639419974454 4523214 C1=CC(=CC=C1NC(=O)CCCC(=O)O)S(=O)(=O)NC2=NC=CS2 1 0.736 3 5 0 -18.3683897911507 4522998 CN1C2=C(C3C(COC4=C3C=C(C=C4)Cl)CO2)C(=O)N(C1=O)C 1 1.945 2 4 0 -7.52997086962249 4522913 C1=CC(=CC=C1CN2C(=NN=C2SCC3=CC(=C(C=C3)F)F)C(F)(F)F)F 1 5.615 3 0 -8.97965484165151 4522912 C1=CC(=CC=C1CN2C(=NN=C2SCC3=CC(=C(C=C3)F)C(F)(F)F)C(F)(F)F)F 1 6.352 3 0 -9.87378761783309 4522911 COC1=CC=CC(=C1)CSC2=NN=C(N2CC3=CC=C(C=C3)F)C(F)(F)F 1 5.188 3 1 -9.42809281832306 4522906 C1CC2CC1CC2C=NNC(=O)C3=CC=CO3 1 2.108 2 2 -2.61147225106417 4522817 CC1=CC(=NNC(=S)NCC2=CC=CC=C2)CC1 1 3.507 3 0 -9.90260967703309 4522761 COC1=CC=C(C=C1)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)O 1 3.599 1 2 3.4272841044159 4522699 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=COCCO4 1 0.403 4 6 0 -20.4851601207826 4522346 CC1=CC(=C(C(=C1)C)NC(=S)NCCCSC2CCCCC2)C 1 6.505 2 0 -11.4380666329935 4522345 CC1=C(C=C(C=C1)Cl)NC(=S)NCCCSC2CCCCC2 1 6.197 2 0 -10.2724977113864 4522322 C1CN(C(=O)N1CC2=CC=CC=C2)CC(=O)NCC3=CC=CS3 1 1.566 3 2 0 -17.8911099311127 4522306 C1CN(C(=N1)SCC2=CC(=CC=C2)F)C(=O)C3=CC4=CC=CC=C4O3 1 4.692 2 2 -4.36321978376983 4522249 CC1=C(C(=C(C=C1)C)OC(=O)C2=C(N=CC=C2)Cl)C 1 4.443 1 2 -0.330645149910934 4522239 CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=C(C(=NN2C)C)Cl)C 1 4.521 5 3 0 -6.33460284698294 4522148 CC(C1CC1)N(CC2=CC=CC=C2)C(=O)NC(=O)C3=CC=C(C=C3)F 1 4.01 2 2 -4.92209941245104 4522146 CC(C1CC1)N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.912 2 3 -8.5262087129301 4522106 CC1CCCCN1S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.428 2 2 -12.5045064016002 4522044 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C 1 1.411 3 3 0 -14.146908249014 4522027 CC1(OCCO1)C2=CC3=C(ON=C3C=C2)C4=CC(=CC=C4)F 1 3.266 1 3 3.93893350638515 4522020 CC1=CC=CC(=C1)C(=O)N=C2C(=CC3=C(N2CC4=CC=CO4)N=C5C(=CC=CN5C3=O)C)C#N 1 3.277 5 3 0 -20.0526271805012 4521934 CC1CCCC(N1N=CC2=CC(=C(C=C2)OC)O)C 1 2.977 2 2 1.9079923212479 4521926 CC1=CCC(C(C1)C2=CC=C(C=C2)F)C(=O)NN=CC3=CC=CS3 1 4.59 2 1 -5.15145115704439 4521898 C1COC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3 1 3.054 0 3 -3.34332847292842 4521884 CCC(=O)NC1=C(C2=NC3=CC=CC=C3N=C2N1C(C)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5 1 5.396 4 3 0 -15.2909402041552 4521826 CC1=CC(=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2OC)C 1 1.426 1 4 0 -15.2977677601331 4521794 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC3)C 1 2.377 2 3 -20.5143767794601 4521686 COCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 1.018 3 5 0 -28.4977993656662 4521586 COC(=O)C(C(F)(F)F)(NC1=NC2=C(S1)CCCC2)NC(=O)COC3=CC=CC=C3 1 3.351 3 4 0 -12.6619554700912 4521565 C1COC(=CO1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 0.263 4 6 0 -8.24064158926157 4521540 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)Cl 1 2.867 2 2 -15.6042930696992 4521468 C1=CC=C(C=C1)CC(CC(=O)NC2=CC=CC=C2)C(=O)O 1 2.746 1 3 -6.59382400512549 4521465 CC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)C(=O)O 1 3.002 2 3 -4.2386420024248 4521455 C1=CC=C(C(=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)O)F 1 2.254 0 5 -5.69428991440692 4521426 CC(C)(C)OC(=O)C(C1=NN2C(=NN=N2)C=C1)(C(=O)OC(C)(C)C)Cl 1 1.77 5 4 0 -12.1623582582218 4521414 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.171 4 5 0 -24.5149880727653 4521335 CC(C)(C)C1CCC(=NNC(=O)C2=CC=CC=C2N3C=CC=C3)CC1 1 4.45 3 1 -11.2778166239605 4521334 CC(=NNS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-])C2=CC3=CC=CC=C3O2 1 3.52 3 5 0 -1.89782622582133 4521307 CCN1C=NC2=C1C=CC(=C2)NCC3=CC=CC=C3Cl 1 3.956 3 0 -3.20535403985277 4521278 COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C3=C(C=CC(=C3)C(=O)N4CCOCC4)SC5=CC=CC=C5C2=O 1 2.797 3 7 0 -14.5903826793182 4521270 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)N(C)C3CCCCC3 1 4.171 1 4 -11.1093303452543 4521264 CC(=O)C(=NNC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C(C4=CC=CC=C4)O 1 4.887 5 2 0 -7.10120270187332 4521033 C1=CC(=CC=C1NC(=O)C(=O)C2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O)F 1 2.776 3 5 0 -1.15565883170269 4521028 CC1=NN(C(=C1)NC(=O)NC2=CC=CC=C2[N+](=O)[O-])C 1 1.474 5 3 0 -11.7682246309968 4521024 C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=CC=N3)[N+](=O)[O-] 1 3.109 4 2 1.79348178591023 4520935 CC(C)(C1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CC=C3 1 3.694 2 1 -4.58780892025577 4520916 C1CC(N(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)O 1 1.211 2 4 0 -12.6446199382589 4520895 CC1C(=CC2=CC=CC=C2O1)C=NNC3=CC=C(C=C3)C(=O)O 1 3.513 2 3 -1.23547806185934 4520711 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CNCC2=CC=CC=C2)Cl 1 1.785 3 3 0 -9.81980506247656 4520673 CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=O)C(NC2=O)CCC3=CC=CC=C3)C 1 3.636 3 3 -8.7922738595092 4520672 CC1=NC2=CC=CC=C2N1CC(=O)NC3CCCCCC3 1 3.186 3 1 -7.91113804711987 4520621 C1CS(=O)(=O)CC1NC(=S)NCCNC(=S)NC2CCS(=O)(=O)C2 1 0.149 4 4 0 -16.6988099905659 4520580 C1=CC=C(C=C1)CCP(=O)(C(C2=CC=CC=C2)O)O 1 2.758 0 3 -3.1751144595753 4520380 CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=CSC(=N3)NC(=O)CCC(=O)N4CCC(CC4)C 1 3.055 3 5 0 -15.7174604328647 4520367 CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F)C 1 3.572 4 3 0 -24.4288152800344 4520355 CC1C(=O)C(C(OC1=O)C2=CC=C(C=C2)Br)(C)C 1 3.568 0 3 -3.13801799275408 4520313 C1CN(CCC1C(=O)NCC2=CC=CO2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-] 1 1.136 4 7 0 -22.6517232836461 4520271 C1CN(CCN1C2=NC=CC=N2)C(=O)COC3=CC=C(C=C3)Br 1 1.579 4 2 0 -2.15197044213674 4520223 CCC(CC)C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2 1 3.265 1 3 -10.5562341131318 4520219 C1=C(C=C(C(=C1Br)NC(=O)CSC2=NC=NN2)Br)[N+](=O)[O-] 1 2.701 5 3 0 -12.471996371205 4520207 COC(=O)C1=C(OC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)N 1 1.597 1 6 0 -22.9346410139205 4520206 CC(C1=CC=C(O1)C(=O)O)SCC2=CC=C(O2)C(=O)O 1 2.652 0 6 -6.31210562013298 4520091 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=O)C3=CC=CC=C3O2)CC4=CC5=C(C=C4)OCO5 1 4.143 1 7 0 -13.9699259757362 4520012 CC1=CC2=NC3=C(C=C2C=C1)C(=O)N(C=C3C=O)C 1 1.645 2 2 0 -0.570209686418961 4519997 CC1=CC(=C(C=C1NC(=O)COC(=O)CSC2=CC=CC=C2F)OC)[N+](=O)[O-] 1 3.285 2 6 0 -17.5731304244076 4519951 C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CC4C5=CC=CC=C5NC4=O 1 3.276 3 2 -10.9112498084067 4519868 CCOC(=O)CON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC4=CC=CC=C4O3)[O-] 1 2.281 2 6 0 -7.93706678301929 4519806 CCCCC1=NC2=NNC(=C2C3=C1CSC(C3)(C)C)N 1 3.101 4 0 -5.44393237592612 4519805 CC1=CC=C(C=C1)S(=O)(=O)N(C2=NC(=NC(=N2)N(C)C)N(C)C)C(=N)N 1 1.401 8 2 0 -5.36478741472398 4519779 COC1=CC=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-] 1 2.846 2 6 0 -12.5602182636829 4519774 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C(=C3F)F)F)F)N4CCCC4 1 4.531 3 4 0 -3.58822658062474 4519704 CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 2.03 4 3 0 -17.6922378458311 4519665 CC1(CC2=CC=CC=C2C(N1C)C3=NN=NN3C4=CC=C(C=C4)OC)C 1 3.343 5 1 -7.30449340037794 4519648 CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)S(=O)(=O)N4CCOCC4 1 2.573 1 8 0 -24.1737228905663 4519573 CCCCN1C(C(CCC1=O)C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.446 2 5 0 -9.34553197647487 4519572 C1CS(=O)(=O)C2=C(C1=NNC3=CC=CC=C3)C=CS2 1 2.676 2 2 -5.25406316364015 4519571 C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=O)N2O)[N+](=O)[O-] 1 3.065 3 4 0 6.22057005638886 4519474 COC1=CC(=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2)OC 1 2.207 1 5 -17.4646872759645 4519268 CC1=CN=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.048 3 3 -4.65294697429873 4519262 CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)[O-])CC3=CC=C(C=C3)Cl.[Na+] Na+ 1 6.64 1 2 -0.720656692773557 4519251 CCCCC1=C(N(C(=CC1=O)C2=CN=CC=C2)C3=CC=C(C=C3)Cl)O 1 5.073 2 2 -0.191556987442621 4519106 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCCC4)C 1 4.805 3 1 -5.53428406444212 4519032 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)NC3=CN=CC=C3 1 2.14 3 3 -1.34543829467371 4519035 COC1=CC=C(C=C1)N2C(SCC2=O)C3=CC=C(C=C3)F 1 3.428 1 2 -10.2800718869314 4518995 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3N4CCOCC4 1 1.538 4 4 0 -20.8718321071172 4518994 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NCCN3CCOCC3 1 3.313 4 1 -5.17977126745181 4518969 CCC(C)NC(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2 1 4.4 1 1 -12.1391098623419 4518923 CC1=C(C(NC(=O)N1)C2=CC=CO2)C(=O)NC3=CC=CC=C3OC 1 1.266 3 4 0 -33.4037218056042 4518826 CN1C(=O)N(C2(C1(NN3C(=O)C(=CC4=CC=C(C=C4)OC)SC3=N2)C5=CC=CC=C5)C6=CC=CC=C6)C 1 4.661 5 3 0 -6.88592331997886 4518737 CCNC1=NC(=NC(=N1)N(C#N)C(C)C(=O)N(CC)CC)NC(C)C 1 1.178 8 1 0 -13.2564707289718 4518728 CCOC(=O)C1=CSC(=N1)NC(=O)NC2=CC(=CC=C2)OC 1 2.136 3 4 0 -7.29989639327816 4518677 CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)CCN3CCC(CC3)CC4=CC=CC=C4)C)C 1 4.694 3 4 0 -3.54428481776004 4518627 CC1(CC1(Br)Br)C(=O)NCCCCCCNC(=O)C2(CC2(Br)Br)C 1 3.791 2 2 -8.46880881482512 4518605 C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3)C(=O)N4CCN(CC4)C5=CC=CC=C5F 1 2.089 4 4 0 -15.3969855192727 4518566 COC1=CC(=CC(=C1OC)OC)C(=O)NN=CC2=C(N(C(=O)S2)C3=CC=CC=C3)Cl 1 3.521 3 5 0 -7.98602139260581 4518562 COC1=CC=CC(=C1OC(=O)C2=CC=C(C=C2)Br)C=NNC(=O)C3=CC=NC=C3 1 3.696 3 4 0 -6.79295191099382 4518557 C1CSC(=N1)SC2CC(=O)N(C2=O)C3=C(C(=CC=C3)Cl)Cl 1 3.884 2 2 -5.86512036668349 4518549 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=NC=CC(=N3)C 1 2.547 4 4 0 -17.5335858838429 4518387 CCC1=CC=C(C=C1)NC(=S)N(CCN2CCCCC2)CC3=CC=CO3 1 5.811 3 1 -8.74593028585911 4518374 CCC1=CC=C(C=C1)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CS3 1 5.472 4 0 -4.16499945981534 4518296 CC1CN(CC(O1)C)P(=O)(NC(=O)C2=C(N(C(=C2)C)C3CC3)C)N4CC(OC(C4)C)C 1 1.092 4 4 0 -11.2814373534689 4518220 CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC=CC(=N2)C 1 1.338 3 3 0 -16.61895701458 4518219 CCC(C)NC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)Cl 1 2.684 5 1 -17.590396743966 4518152 C1COCCN1CCN2C(=O)C(SC2=NC3=CC=CC=C3F)CC(=O)NC4=C(C=C(C=C4)F)F 1 3.551 4 3 0 -11.9109657654204 4518107 CC1=CC=CC(=C1O)C(=O)NNC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 3.326 3 4 0 -7.16394062158002 4518047 C1CSC(=N1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CN=CC=C4 1 1.547 10 2 0 -32.1219486848966 4518002 CCN(CC)C1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C)S(=O)(=O)NC3=CC=CC=C3OC 1 4.432 3 4 0 -12.5417134720629 4517987 CC1C(=O)N(C(=O)CS1)CC(=O)NC2=CC=CC=C2OC 1 0.635 2 4 0 -16.4225122548015 4517893 CC(C)CCC(CC(C)O)C(=O)NNC(=S)NC1=CC=CC=C1 1 3.967 3 2 -8.77680557031886 4517888 CC1=C(C=C(C=C1)NC(=O)COC2=NC=NC3=CC=CC=C32)S(=O)(=O)N4CCOCC4 1 1.838 4 5 0 -16.2307710528409 4517841 COC1=CC=C(C=C1)CCC(=O)NCCC2=CC=C(C=C2)OC 1 3.401 1 3 -12.9614323955572 4517814 CC1=CC=CC(=C1)C2=C3C=C(C=CC3=NO2)C4(OCCO4)C 1 3.547 1 3 3.84673579277816 4517755 C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CO5 1 3.368 5 6 0 -22.1650269086279 4517754 C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)F)CC5=CC=CO5 1 3.351 4 5 0 -16.7669839983359 4517748 C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC5=CC=CO5 1 3.146 4 5 0 -18.5542936370929 4517647 CC(=O)NC1(C(=O)NC(=N1)C2=CC=CC=C2)C(F)(F)F 1 1.36 3 2 0 -4.71255297127928 4517522 CC1=CC(=O)N=C(N1)NN=CC2=CC=CC=C2C(F)(F)F 1 2.35 4 1 -9.55744779259662 4517520 CC1=CC(=C(C=C1NC(=O)COC(=O)C2CC2)OC)[N+](=O)[O-] 1 1.779 2 6 0 -15.8123839305718 4517372 CC1CCCCC12C(=O)N(C(=O)N2)CC3=C(C=CC(=C3)C(=O)C)OC 1 2.599 2 4 -7.92060294048381 4517369 COC(=O)C1=CC=C(C=C1)NC(=O)C2CC3CCC2C3 1 2.607 1 3 -2.41567172529808 4517344 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)NC3=C(C=C(C=C3)Cl)C#N 1 3.759 4 3 0 -12.7979399732057 4517330 CC(C)C(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)[N+](=O)[O-] 1 1.826 4 5 0 -10.5024976694031 4517314 C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CCOC5=CC=C(C=C5)Br 1 5.266 4 3 0 -7.60486713787836 4517301 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 0.54 3 9 0 -22.4278422554056 4517155 CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=NC(=CS3)C4=C(C=CC(=C4)OC)OC 1 4.387 3 7 0 -10.872267067834 4517153 CC1CN(CC(O1)C)C2=NC(=C3C(=C2C#N)C4=C(N=C3N)N(C(=O)C4)CCC(C)C)N 1 1.74 7 2 0 -14.3709555479363 4517116 CCCC(=O)N=C1N(C2CS(=O)(=O)CC2S1)CC=C 1 1.858 2 3 0 -17.7191941013573 4517097 CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC(=O)N 1 1.697 6 4 0 -15.2120652982147 4517035 C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=CC=CC=C3OCC4=CC=CC=C4)N5CCCC5 1 4.063 7 1 0 -1.1180097444418 4517004 CC1=CC=C(C=C1)N(CN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] 1 3.758 4 7 0 -7.95649359550746 4516862 CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC3=NC=C(C=C3)[N+](=O)[O-])C 1 3.747 5 2 0 -1.51314621804776 4516858 C1CCC(CC1)OP(=O)(C(C2=CN=CC=C2)O)OC3CCCCC3 1 3.305 1 4 -6.08116623014583 4516844 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)COC 1 2.911 2 5 0 -11.1322645647621 4516791 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NN=C(S2)C3CC3 1 2.076 4 3 0 -9.06050060973749 4516615 CC1=CC=CC=C1NN=CC2=CC=C(C=C2)C#N 1 3.813 3 0 -1.12476738945867 4516609 CC1=NC2=C(N1C3=CC(=CC=C3)OC)C=CC(=C2)C(=O)O 1 3.002 2 3 -1.81230507384959 4516564 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.398 5 5 0 -18.3314936935969 4516550 COC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)NC3CCCC4=CC=CC=C34)OC 1 4.224 2 5 0 -15.0940245102386 4516494 COC1=CC(=C(C=C1)C2NC3=CC=CC=C3C(=O)N2NS(=O)(=O)C)OC 1 1.581 3 5 0 -10.5819640195297 4516450 C1CS(=O)(=O)CCN1CC2=CC=CC=C2Cl 1 1.984 1 2 0 -1.54949937195978 4516225 C1CCCC(CCC1)NC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC=CO4 1 3.728 2 3 -11.4749659071624 4516216 C1=CC=C2C(=C1)C(=NNC2=O)CNC3=CC=C(C=C3)C(F)(F)F 1 3.1 3 1 -7.07541119294086 4516212 CC(C)(C)S(=O)(=O)C(=NNC1=CC=C(C=C1)Cl)C#N 1 3.043 3 2 -1.83246286976537 4534298 CCC(C)NC(=O)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC 1 3.535 4 2 -13.1746732005761 4534237 CN(CCO)C1=C(C2=NON=C2C(=C1)N3CCN(CC3)C(=O)C4=CC=CO4)[N+](=O)[O-] 1 1.355 6 6 0 -0.290328788444443 4534190 CC1=C(C(=CC=C1)NC(=S)N(CCN2CCOCC2)C3CCN(CC3)C(=O)C)C 1 3.217 4 2 -9.90783389282362 4534188 CC1=CC(=CC(=C1)NC(=S)N(CCN2CCOCC2)C3CCN(CC3)C(=O)C)C 1 3.217 4 2 -12.2481633945704 4534186 CC1=CC=CC=C1NC(=S)N(CCN2CCOCC2)C3CCN(CC3)C(=O)C 1 2.731 4 2 -13.478785940722 4534164 CCC1CCCCN1C(=S)NC2CCCCC2 1 4.87 2 0 -11.077499692426 4534141 CCOC(=O)C1=C(SC2=C1CCCC2)N=CC3C(=O)CC(CC3=O)(C)C 1 3.61 1 4 -11.9423912731375 4534140 CCC1=CC(=C(S1)N=CC2C(=O)NC(=S)NC2=O)C(=O)OCC 1 2.12 3 4 0 -11.2809811882337 4533942 CC1=CC(=C(C=C1)C)NC(=S)N(CCN2CCOCC2)C3CCN(CC3)C(=O)C 1 3.217 4 2 -12.6927348484248 4533940 CC1=C(C=C(C=C1)NC(=S)N(CCN2CCOCC2)C3CCN(CC3)C(=O)C)C 1 3.217 4 2 -12.0318802933623 4533938 CC1=CC(=CC=C1)NC(=S)N(CCN2CCOCC2)C3CCN(CC3)C(=O)C 1 2.731 4 2 -9.89631992539308 4533934 CC1=C(C=CC=C1Cl)NC(=S)N2CCCN(C2)CC3=CC=CC=C3F 1 5.989 3 0 -4.74428576722535 4533828 CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)N3CCOCC3 1 2.141 3 4 0 -18.0467173650855 4533826 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCO4 1 1.38 2 8 0 -28.2390355829394 4533817 CCNC(=S)NN=C(C)C1=CC(=CC=C1)[N+](=O)[O-] 1 2.455 4 2 -11.6730517242597 4533786 COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3 1 3.18 3 6 0 -19.3983878565983 4533784 CN1CCC(CC1)N(C)C(=O)CCC2=NC3=CC=CC=C3N2C4=CC=CC=C4 1 3.129 4 1 -2.45400998485638 4533699 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)OC 1 2.08 3 6 0 -24.832935321308 4533619 CC(C)NC(=O)C1=CC=C(O1)CSCC2=CC=CC=C2Cl 1 4.034 1 2 -14.3782554824532 4513382 C1=CC=C2C(=C1)C=CC=C2OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 2.36 2 3 -8.35894591046008 4512972 CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCCC2 1 2.271 2 3 -14.461047960754 4512734 C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)NNC(=O)NC3=CC=CC=C3 1 3.133 3 3 -4.64041001990252 4511063 CC(C(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C)Cl 1 4.147 3 1 -6.16870581866594 4510637 CC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2OC)OC)Br 1 2.519 3 4 0 -9.96673908262421 4510502 CC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2OCC3=CC=CC=C3 1 3.37 3 3 -8.09608744502441 4508941 COC1=CC(=C(C=C1C=NNC(=O)C2=CC=NC=C2)Br)OC 1 2.248 3 3 -6.95070613191324 4508010 C1CN(CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)Br 1 3.558 2 1 -8.39585654231555 4508006 CCOC(=O)C1CCCN(C1)C(=S)NC2=CC(=CC=C2)Cl 1 4.523 2 2 -11.5579006694317 4506512 CC1=CC=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.927 2 3 0 -21.5083973515998 4506390 CC1CC(CN(C1)C(=O)C2=CC3=C(C=C2)OCCO3)C 1 2.585 1 3 -11.3694421332361 4505488 CC(=NNC1=CC(=C(C=C1)Cl)C(=O)O)C2=CC=C(S2)Br 1 4.244 2 2 -3.79910432437214 4504851 CCC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC3=C(C=C2)OCO3 1 3.096 2 4 -2.58610012917578 4504339 COC1=CC(=C(C=C1)OC)S(=O)(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.121 2 6 0 -3.62655524239614 4504273 C1=CC=C(C(=C1)C2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl)OCC(=O)O 1 0.986 3 7 0 -13.427948340903 4503085 CCCC(=NNC(=O)C1CC1)C2=CC=CC=C2 1 2.88 2 1 -10.6259239586504 4502965 COC1=C(C=CC(=C1)C2C3=C(C(=O)N2C4=NC=CS4)OC5=CC=CC=C5C3=O)O 1 2.673 2 5 0 -6.27931349526741 4502955 CC1=CC2=C(C=C1)OC(=C2C)C(=O)N(CC3=CC=CC=C3)C4CCS(=O)(=O)C4 1 3.902 1 4 -0.418758930607407 4502039 CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 4.648 1 6 0 -15.0868085799953 4501812 COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=NC=C2)Br 1 2.255 4 3 0 -8.86025604066888 4501316 C1CC2=C(C1)SC(=C2)C(=O)NC3=NN=CS3 1 1.968 3 1 0 -10.6241340721651 4500482 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)N(CC3=CC=CC=C3)C4CCS(=O)(=O)C4)C)C 1 4.388 1 4 -4.29293418873427 4500315 CCC1=NN=C(S1)NC(=O)C2=C(C3=CC(=C(C=C3O2)C)C)C 1 4.069 3 2 -4.86478332984657 4497942 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C 1 2.525 3 2 -15.5565439823185 4497909 CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3CCS(=O)(=O)C3 1 2.113 1 4 -1.40583318667973 4496761 CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)OCC(=O)N 1 -0.293 3 4 0 -9.73857003083681 4496132 CC(=O)N1CCC2=CC(=C(C3=C2C1CC34C=CC(=NO)C=C4)OC)OC 1 1.817 2 4 0 -4.89842671756624 4494880 CCOCCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)N4C=C(C=CC4=N2)C 1 2.105 4 4 0 -24.9671622979343 4494608 CC1CCN(CC1)C(=O)C2=CC=C(O2)C3=CC=CC=C3Cl 1 4.282 1 2 -1.68445787871861 4494602 C1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl 1 4.812 1 2 -0.683918349390846 4494356 CCOCCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=CC=C3)C(=O)N4C=C(C=CC4=N2)C 1 1.619 4 4 0 -25.6748753428367 4494116 C1=CC(=CC=C1NC(=O)COCC(=O)O)N2C=NN=N2 1 -0.945 5 4 0 -19.6680818441638 4493565 COC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl 1 4.467 1 3 2.7696986515306 4493235 CC1=C(C=C(C=C1)OCC(=O)NC2=NOC(=C2)C(C)(C)C)C 1 4.107 2 3 -10.8046813610274 4493056 CC(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2CC=CCC2C(=O)O 1 2.267 2 4 -7.23415939150685 4492340 C1=CC=C(C=C1)C2=NN=C(O2)COC3=CC=CC=C3 1 2.889 2 2 -3.5212584183605 4489374 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCCN4CCOCC4)S(=O)(=O)C5=CC=C(C=C5)Cl)C=C1 1 1.892 5 4 0 -22.8547646547323 4488610 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCN4CCOCC4)S(=O)(=O)C5=CC=CC=C5)C=C1 1 1.165 5 4 0 -26.4587917526899 4486693 CCC(=NOC(=O)C1=CC(=CC=C1)C)C(=O)C2=CC=CS2 1 4.107 1 3 -3.52209246075278 4486437 C1=CC=C(C=C1)C(=NOC(=O)C2=CC=C(C=C2)F)C3=CC=NC=C3 1 3.843 2 2 -3.92044499865055e-002 4485972 CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=S)N3CCOCC3)OC 1 4.257 1 4 -13.3859752143199 4485701 CC1C(C(OC1C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC)C 1 4.276 0 7 0 -4.63017541423223 4485343 C1OC2=C(O1)C=C(C=C2)CC(CO)C(CC3=CC4=C(C=C3)OCO4)CO 1 2.896 0 6 1.3259751296708 4484949 COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC)O 1 3.179 0 5 3.94166222511528 4484269 CC(C)CC(C(=O)O)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2 1 3.02 2 4 -20.7559054184311 4484064 CC1=C(C(=CC=C1)C)NC(=O)C(C(=O)C2=CC=CC=C2)Cl 1 4.06 1 2 -5.14492479499106 4483705 C1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)[O-])N 1 0.961 2 2 0 -12.3070222237832 4483669 CC1=CC=C(C=C1)C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC=CC=C3O 1 5.583 3 4 0 2.08959545528341 4483243 CC1=[N+](N(C(=O)C1N=CC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C 1 3.445 3 1 3.157203698637 4482792 C1CCC2=C(C1)C(=CS2)C(=O)NCC3=CC=CC=C3 1 3.666 1 1 -9.44886775465186 4481892 C1=COC(=C1)C=NNC2=NN3C=NN=C3C=C2 1 1.074 6 1 0 -2.81619276180122 4481409 COC1=CC(=C(C=C1C2C(=C(OC(=C2C(=O)OC)CC(=O)OC)N)C#N)OC)OC 1 1.172 2 8 0 -21.9725913579042 4479488 CC1=NN=C(N1N)SCC(=O)NC2=CC3=C(C=C2)OCCO3 1 0.468 5 3 0 -19.9206547571235 4479391 CCOC1=CC=C(C=C1)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.159 3 4 0 -19.3026457500737 4478117 CC1=CC(=CC=C1)OCC(=O)N2CCOCC2 1 1.253 1 3 0 -6.74073208911365 4477840 C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC(=O)N 1 1.598 1 3 0 -6.152194857799 4477836 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NOC=C3)[N+](=O)[O-] 1 2.581 4 4 0 -7.82205529364808 4477666 CC1CCCN(C1)C(=O)C2COC3=CC=CC=C3O2 1 2.253 1 3 -7.98236059710945 4477477 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2O 1 3.241 1 4 -10.8250528195525 4476969 COC1=CC=CC=C1C=NNC(=O)CN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43 1 3.091 4 4 0 -9.39298056102612 4476802 C1C2(C(C3=CC=CC=C3OC2=O)C4=C(S1)NC(=O)S4)CC(=O)O 1 1.884 1 5 0 -7.87033843192921 4476487 C1C2C3C(C1C4C2C(=O)N(C4=O)CCCC(=O)O)SC5=C(C3C6=CC=CC=C6)SC(=O)N5C7=CC=CC=C7 1 4.021 2 5 0 -13.7275850286989 4476328 CCC(=O)NC1=C(C=C(C(=C1)C(=O)NCC2CCCN2CC)OC)N(C)C 1 1.948 4 3 0 -19.1958093247426 4475731 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3C(CC4=CC=CC=C43)C 1 3.066 2 5 0 -17.9908943791178 4475102 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)C4C(C(C(C(O4)CO)O)O)O)O)O 1 1.8e-002 0 10 0 -6.28901623470785 4473797 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.268 4 5 0 -16.258598061752 4473031 CC1=CC=C(C=C1)N(CC(=O)NN=C2CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)SC 1 2.751 4 3 0 -10.3902402030217 4472628 COC(=O)C1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 3.368 1 3 -8.78557413359782 4472170 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)OCC2=CC=CC=C2 1 2.975 2 5 0 -16.63808720864 4491455 CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)NP(=O)(N3CCOCC3)N4CCOCC4 1 1.417 4 4 0 -6.86896455786539 4491302 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3C4CCCCC4)S(=O)(=O)C5=CC=CC=C5)C=C1 1 3.197 4 3 0 -25.1648087749695 4469970 C1CCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])CC1 1 2.646 4 4 0 -19.196257797416 4468850 CC1=CC(=C(C=C1)N=C(N(C)C)P(=O)(N(C)C)N(C)C)C 1 1.78 4 1 0 0.578842138734449 4467448 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC(=C(C=C3)OC)OC 1 3.891 3 5 0 -20.4141563704558 4467445 C1COCCN1C2=CC=C(S2)C=NN(C3=CC=CC=C3)C4=CC=CC=C4 1 5.159 3 1 -2.46060182038847 4466078 CC1=C(SC(=N1)NC(=O)CCC2=CC=C(C=C2)OC)C(=O)N(C)C 1 2.074 3 3 -12.851085682283 4466069 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=O)NC3=CC=C(C=C3)Cl 1 3.658 3 4 0 -7.01874669425572 4466047 CCC1=CC=C(C=C1)C2C3CC(CC=C3C(C(=C2C#N)N)(C#N)C#N)C(C)(C)C 1 4.365 4 0 -6.40345871147737 4465808 C1CCC(CC1)NC2=C(C(=O)NC(=O)N2)[N+](=O)[O-] 1 0.801 4 4 0 -12.8146011251821 4465765 CCCOC1=CC=C(C=C1)C(=NNC(=O)C2(CC2(Br)Br)C)CC 1 4.357 2 2 -5.92034558261474 4465764 COC(=O)C(C(F)(F)F)(NC(=O)C1=CC(=CC=C1)F)NNC2=CC=CC=C2 1 3.479 3 3 -7.18047001490486 4465720 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(OC(=C3)C)C 1 3.905 1 5 -18.9600102304449 4465636 CC1=C(C(=NN1C2=NC=C(C=C2)C(F)(F)F)C)OC3=CC=CC=C3O 1 4.133 3 2 8.93957987521778 4465607 CC1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)C3=CC=CO3 1 3.839 3 5 0 -8.10510651346904 4465429 CC1=CC(=CS1)C(=O)NNC(=S)NC(C)C2=CC=CC=C2 1 3.188 3 1 -11.0746509079147 4465413 C1CCC(CC1)NC(=O)NC2C3CC4CC(C3)CC2C4 1 3.485 2 1 -4.76319872893187 4465403 CC(=O)NC1=C(C=C(C2=CC=CC=C21)[N+](=O)[O-])Cl 1 2.417 2 3 -3.91943242169314 4465304 C1C(CC(=O)C(=CNC2=CC=CC=C2)C1=O)C3=CC=CC=C3 1 2.849 1 2 -8.80083735290122 4465273 CC1CCCN(C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C 1 4.747 3 2 10.6780758659192 4465171 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43 1 2.683 4 3 0 -19.9873680566782 4465116 CCC(=NNC(=O)C1(CC1(Br)Br)C)C2=CC=C(C=C2)OCC 1 3.834 2 2 -6.37533436662796 4465100 COC1=CC=CC(=C1)C(=O)NCCCN2C=CN=C2 1 0.825 3 2 0 -6.647994099284 4465098 C1CC1NS(=O)(=O)C2=CC=CC=C2 1 1.23 1 2 0 -8.11232413379567 4464982 CCCCN1C=CN=C1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.64 3 3 -20.2316558213355 4464934 CC1=NN(C=C1C(=O)NC2=CC3=C(C=C2)OCCO3)C 1 1.333 3 3 0 -7.43687589071983 4464785 CC1=CC=C(C=C1)C2CC2C(=O)NNC(=S)NC3=CC=CC(=C3)C 1 4.624 3 1 -4.39181194530667 4464761 COC1=C2C=COC2=NC3=C1C=CC(=C3OC)OCC=C 1 3.086 1 4 -5.29046670883532 4464614 CCOC1=CC=CC=C1NC(=O)CN2C(=O)C(SC(C2=O)C)C 1 1.468 2 4 0 -11.6015341534324 4464590 CC1=C(C=C(C=C1)NN=C2CC(=O)C3=CC=CC=C23)Cl 1 4.334 2 1 -3.5865044003635 4464519 CC(C(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2)N3C(=O)C4=CC=CC=C4C3=O 1 0.771 3 7 0 -29.1207064499208 4464486 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NN=C3CC(=O)C4=CC=CC=C34 1 3.586 3 2 -9.57030389419841 4464475 CCN1CC(=O)NC2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3 1 -4.8e-002 3 4 0 -23.6758366252183 4464464 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)NN 1 1.77 3 3 0 -3.36552270590693 4464420 CC(=O)OC1=C(C=C2C(CC3(CC(NC(=S)N3)(C)C)OC2=C1)C4=CC=CS4)Cl 1 4.855 2 3 -6.74949727098992 4464299 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)C 1 2.62 2 3 -15.6756491195227 4464197 CCC1=C(C(=CC=C1)CC)NC(=O)CN2C3=CC=CC=C3N=C2C4=CC=CC=C4Cl 1 6.662 3 1 -4.85290112351962 4464187 CC(=NNC(=O)C1COC2=CC=CC=C2O1)CC3=CC=C(C=C3)OC 1 2.445 2 4 -4.8260763232088 4464105 C1C(C12C(=O)OC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 3.991 1 2 2.90663015121762 4464092 C1CCC(CC1)NCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.747 3 4 0 -17.9472330782324 4464091 CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)CCC3)S(=O)(=O)N4CCOCC4 1 2.786 2 4 -20.6042396078598 4464088 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=CS2 1 2.089 2 5 0 -22.1221452904234 4464061 CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC 1 1.285 1 5 0 -14.186308262878 4464043 CC1=CC=C(C=C1)NC(=S)NN=C2CCCCC3=CC=CC=C32 1 5.79 3 0 -10.2695798520688 4464020 CCOC1=CC=CC=C1OCC(=O)NN=C(C)CC2=CC=C(C=C2)OC 1 2.84 2 4 -9.56422077317112 4463773 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3N2 1 1.202 3 3 0 -16.9713759214361 4463724 CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC(C)C)OC)C(=O)OC(C)C 1 3.772 2 4 -32.5708400074817 4463708 C1=CC=C(C=C1)C2=NC(ON2)C3=CC=CC=C3Br 1 3.494 2 1 0.811223927025931 4463691 CC(=NNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2)C3=CC=CS3 1 2.891 3 3 -11.7460351154743 4463647 CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C(=CC4=C(C(=CC=C4)[N+](=O)[O-])O)S2)C 1 4.055 3 9 0 -26.9033432806469 4463628 C1=CC2=C(C(=C1)S(=O)(=O)NCCC3=CC=C(C=C3)Cl)N=CC=C2 1 3.496 2 2 -6.00727680740825 4463586 C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CO2)C3=CC=C(C=C3)Br 1 3.593 2 3 2.73944294553814 4463579 CCS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CC=C3)S(=O)(=O)CC 1 2.151 3 4 0 -5.3215269090769 4463549 CCS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)F 1 3.431 3 4 0 -9.2467724797712 4463547 CCS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)C 1 3.712 3 4 0 -9.95864950523645 4463546 CCS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)CC 1 1.998 3 4 0 -9.48396445253134 4463525 CC12CCCCC1=NC(N2O)C3=CC=C(C=C3)Br 1 3.533 2 1 4.42916506160003 4463392 CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C=NNC3=CC=CC=C3)N=CN(C)C 1 5.421 4 2 2.05708534452764 4463258 CCC1=CC=CC=C1NC(=O)NCC2=CN=CC=C2 1 2.321 3 1 -10.360871546024 4463142 CC1(C(=O)N(C(=O)N1)CC(=O)N)C2=CC3=CC=CC=C3C=C2 1 0.838 3 3 0 -3.32724913956789 4463130 CCCCCCCCOC(=O)C1=NC(=C(C(=C1Cl)N)Cl)Cl 1 5.572 2 2 -2.6450948714425 4463122 CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C)C3=CC=C(C=C3)Cl 1 3.565 5 1 -19.1461963564777 4463116 C1COC(=O)C1SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F 1 3.742 2 3 -10.2018565211611 4463104 CC1=CC=C(C=C1)C2(C(=C3N4CCCCCC4=NN3C(=O)N2)C#N)C(F)(F)F 1 3.361 5 1 -7.94608421779873 4463090 CCC1=CC=C(C=C1)C(C2=C(N(N=C2C)C3=CC=CC=C3)N)C4=C(N(N=C4C)C5=CC=CC=C5)N 1 5.805 6 0 -3.23239076850649 4463084 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.007 3 5 0 -27.5988229073628 4463079 CC(C)(C)C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2C=CN=C2 1 3.108 3 1 -9.04870427477222 4463059 CC1=C(C=C(C=C1)C(C(Cl)Cl)NC(=O)N2CCN(CC2)C)F 1 2.945 3 1 -1.0805718874295 4462950 COC1=CC=CC=C1C(=O)NN2C(=O)C3C4C=CC(C3C2=O)O4 1 8.4e-002 2 5 0 0.416638091564577 4462938 C1=CC=C(C(=C1)NC(=O)C2=CSN=N2)NC(=O)C3=CSN=N3 1 1.346 6 2 0 -13.1017172417593 4462928 CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC2=NC=CC=N2 1 3.504 3 1 -1.87035505646813 4462909 CCNC(=O)CC1C(=O)N(C(=NC2=CC=CC3=CC=CC=C32)S1)C 1 2.788 3 2 -9.5355326974737 4462899 CC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C(C)C 1 2.418 3 3 -8.40809988204587 4462897 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N 1 3.632 4 2 -30.4703677193313 4462756 CC1=C(C(=C(S1)NC(=O)C2C3CCC(C2C(=O)O)C3=C(C)C)C(=O)N)C4=CC=C(C=C4)C(C)C 1 4.488 2 4 -7.29702506955706 4462716 C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=CC=CC=C5 1 2.859 5 3 0 -4.70384714118636 4462709 C1=COC(=C1)C(=O)NC2=CC(=CC(=C2)SCCO)[N+](=O)[O-] 1 1.906 2 5 0 -7.06125941341345 4462695 CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)CC3=CC(=O)NC(=O)N3 1 2.128 5 4 0 -22.7499302138462 4462601 CCN1C=C(C2=CC=CC=C21)SCC(=O)N 1 2.073 2 1 -8.7614215260984 4462598 CC1=CC=CC(=C1)C(=O)NC2=NN=C(O2)C3=CC=CO3 1 2.336 3 3 -3.17290326823296 4462576 CCC1=CC=C(C=C1)NC(=O)C2=CN=C3N(C2=O)CCS3 1 2.166 3 2 -11.9723067366012 4462553 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=CC=CC=C4O3)C5=CC=CS5 1 4.814 3 3 -7.14378189118007 4462551 CCN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)NC3=CC=CC=C3OCC 1 2.294 3 4 0 -11.7315275855559 4462544 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCN(CC3)C(=O)OCC 1 2.348 3 6 0 -7.21286197535926 4462528 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C)C(=O)N5CCN(CC5)C6=CC=CC=C6F 1 4.813 7 1 0 -7.51334195281121 4462519 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=CC=C(C=C4)F 1 3.209 6 4 0 -25.6743704688773 4462518 CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)CC4=CC=CC=C4 1 4.073 2 3 -6.95558943720197 4462502 CC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3CCCCC3 1 1.351 3 3 0 -8.49738987723532 4462490 C1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)C45CC6CC(C4)CC(C6)C5 1 3.065 4 3 0 -12.8287586000297 4462146 C1=CC=C(C=C1)CCNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.702 2 3 -15.220842509217 4462145 C1=CC(=CC=C1CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)F 1 2.586 2 3 -14.7755718845762 4462104 C1=CC=C(C(=C1)C(=O)NC(C(F)(F)F)(C(F)(F)F)NNC2=CC=C(C=C2)[N+](=O)[O-])Cl 1 4.92 4 3 0 -7.95579543810749 4462088 CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC 1 2.581 3 3 -21.453779711577 4461971 CCN(C1=CC=CC=C1)C2=CC3=CC=CC=C3C(=O)N2 1 3.495 2 1 -4.23966943626327 4461938 CCSC1=NC(=NC(=C1)N2CCOCC2)C3=CC=CC=C3 1 3.49 3 1 7.62113552437246e-002 4461872 CC(C)(C)C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC 1 2.977 2 3 -11.8522330326801 4461800 CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N 1 3.163 2 3 -9.18995453642961 4461783 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C 1 1.784 4 6 0 -8.17348008089089 4461705 C1=CC(=CC=C1C2=CC(=NC(=N2)N)C(F)(F)F)F 1 3.348 3 0 4.54827361061246 4461675 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2CCCCC3 1 3.034 4 1 -16.7131414341074 4461656 C1CC(OC1)CNC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=C(C=CC=C4F)F 1 3.557 3 3 -24.0081252371486 4461551 CC1CCCCC1NC(=O)CN2C(=O)CSC3=C2C=CC(=C3)S(=O)(=O)N4CCCCCC4 1 3.111 3 4 0 -28.2572602730687 4461518 CCCC12CN3CCN(C1)CC(C3)C2=NNC(=O)C4=CC=NC=C4 1 0.955 5 1 0 -9.04404253802581 4461445 CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3NN4CCOCC4)C5=CC=CC=C5 1 3.608 5 1 5.91132653311664 4461292 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=CNC3=O 1 0.826 3 6 0 -25.1154461502377 4461290 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC(OC(C3)C)C 1 1.615 2 6 0 -26.0057096077957 4461154 CCCCC1=C([N+](=C2C=CC=NC2C1=O)C3=CC=CC=N3)[O-] 1 2.752 3 2 -4.83341301731805 4461059 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=CC=CO4 1 4.879 2 5 0 -7.07977739514244 4461053 CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)CC(C)C 1 2.522 2 2 -15.7862544516004 4460950 C1=CC(=CC(=C1)Cl)C(=O)CSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N 1 6.17 2 1 -1.33064126932663 4460903 COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CSCCC(=O)OC)C3=CC=C(C=C3)Br 1 3.904 2 5 0 -18.0996024588839 4460875 CCC1=CC=C(S1)S(=O)(=O)NCCC2=CN3C=CC(=CC3=N2)C 1 2.613 3 2 -10.120827225536 4460840 CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.361 2 3 -1.86859424427028 4460829 CCCCNC(=O)C(=O)NN=CC1=CC(=C(C=C1)OCC(=O)NC2=CC(=CC=C2)OC)OC 1 2.289 4 6 0 -20.9205375171863 4460802 CC1CC(CN(C1)C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC=CS3)C 1 3.15 3 2 -11.9875857909027 4460740 COC1=CC=C(C=C1)C2C3=C(C(=C4SCCS4)CCC3)NC(=S)N2 1 4.74 2 1 -16.5606028873716 4460650 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCCCN3C(=O)C4=CC=CC=C4NC3=O 1 3.054 4 3 0 -20.9199449387119 4460664 C1=CC2=NC(=C(N2C=C1)NC(=O)COC3=CC=C(C=C3)Cl)C4=CC=CS4 1 4.294 3 2 -6.62520788534332 4460397 CC1=NC=C(N=C1)C(=O)NC2=CC(=C(C=C2)N3CCCC3)S(=O)(=O)NC4=CC=C(C=C4)OC 1 2.119 5 4 0 -10.4838647610614 4460347 CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NN4CCOCC4)C5=CC=CC=C5 1 3.608 5 1 3.04572116484903 4460337 CC1=CC=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC 1 2.779 3 4 0 -20.0359332909323 4460336 COC(=O)NN=C(C1CCCCC1)C2=CC=CC=C2 1 3.769 2 2 -5.88348283342407 4460333 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.709 4 4 0 -17.0921279296783 4460332 COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3 1 4.103 2 2 -0.888336431341586 4460325 CCCC(=O)OCC(=O)NC1CCCC2=CC=CC=C12 1 2.803 1 3 -15.2391477120954 4460323 CC1=C(N2C=CC=CC2=N1)C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-] 1 1.549 5 4 0 -4.77004117247607 4460309 C1=CC=C(C=C1)C2(C(=C3NC4=CC=CC=C4N3C(=O)N2)C#N)C(F)(F)F 1 3.457 4 1 -7.16025222309048 4460292 CC1=CC=C(C=C1)C(C2=C(N(N=C2C)C3=CC=CC=C3)N)C4=C(N(N=C4C)C5=CC=CC=C5)N 1 5.348 6 0 -3.18124922706121 4460283 CCOC1(C(C(C1(OCC)OCC)(C#N)C#N)C2=CC=C(C=C2)Cl)OCC 1 3.135 2 4 0.560002647527048 4460282 CN(C)C1=NC(=NC(=N1)NN=CC2=CC3=C(C=C2)OCO3)NCC4=CC=CC=C4 1 2.72 7 2 0 -6.33289394228761 4460269 C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=N3)[N+](=O)[O-] 1 2.203 4 3 0 -11.5411803321646 4460267 CC1=C(C(=O)NN1)CC(=O)NN=C(C)C2=CC(=CC=C2)OC 1 4.2e-002 4 3 0 -11.3756532199882 4460245 CS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2)[N+](=O)[O-] 1 3.32 4 6 0 -4.6599561072747 4460240 COC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2F)Cl 1 3.376 2 2 -5.39288811646414 4460128 CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)C3=C(ON=C3C)C 1 3.92 1 3 -7.31128751925265 4460044 CCOC(=O)C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C(=O)N2 1 2.997 2 3 -7.10047106977988 4459951 CCC1=NOC(=C1C(=O)NC2=C(C(=C(C=C2)F)F)F)C 1 2.78 2 2 -13.1461843674238 4459944 CCCCOC1=CC=C(C=C1)C(=O)NN2CCN(CC2)C 1 2.021 3 2 -5.49054540608151 4459896 CC(C(=O)OC)SC1=NN=C(N1C2=CC=C(C=C2)Cl)CC3=CC(=O)NC(=O)N3 1 2.263 5 4 0 -17.984683661101 4459862 CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=CO3 1 1.137 2 5 0 -16.5317985725188 4459754 C1CSC(N1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3 1 2.457 2 5 0 -22.3580224776397 4459737 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCC4=CC=CC=C4C3 1 3.798 2 4 -10.5810992771925 4459716 CCC(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl 1 4.973 4 3 0 -9.87580736419355 4459696 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.099 5 5 0 -35.6087476357101 4459655 CC1=C(C(C2=C(N1)NC(=O)NC2=O)C3=CC(=CC=C3)OC)C(=O)OCC=C 1 1.519 3 5 0 -31.5591831279852 4459521 C1CC(OC1)CSC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3Br)[N+](=O)[O-] 1 3.414 3 5 0 -16.616015123836 4459519 CCC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)O)N3CC4CC(C3)C5=CC=CC(=O)N5C4 1 4.979 4 3 0 -10.8004369076579 4459282 C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 4.2 2 2 -16.533639338431 4459245 CC(CNS(=O)(=O)C1=CC=CC=C1)SC2=NC=CC=N2 1 2.051 3 2 -7.97027079484361 4459212 COC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)N 1 2.565 3 3 -14.9812378847638 4459199 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=CN(C4=CC=CC=C43)C 1 4.909 2 3 -16.7853606692138 4459140 CC1=CC(=C(C=C1)C)S(=O)(=O)N2C(C(=O)NC2=S)CC(C)C 1 3.784 2 3 -15.7404031491797 4459139 CCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CN3CCOCC3 1 3.232 2 3 -6.18461319280341 4459009 CN1C=C(C2=CC=CC=C21)CC(=O)NCCCN3CCCC3=O 1 1.288 3 2 0 -22.4799421160086 4459001 CNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)OC)OC)OC 1 4.463 2 4 -16.5710675070358 4458977 CCC1=NC2=C(C(=N1)SCC(=O)NC3=NN=C(S3)CC)C(=O)N(C(=O)N2C)C 1 1.478 7 3 0 -25.8689944150677 4458972 C1=CC=C(C=C1)C2=NN3C(=N2)C4=CC=CC=C4N=C3SCC5=CC(=O)N6C=CC=CC6=N5 1 3.761 6 1 0 -14.2221342313042 4458964 CN(C)CCN1C(=O)C2=C(C=CC(=C2)Cl)NC1=S 1 2.945 3 1 -1.73182157955618 4458963 CC1CCCC(C1C)NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S 1 4.2 3 2 -15.4047366991487 4458962 CN(CC1=CC=CC=C1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.975 3 5 0 -23.4625167145408 4458935 CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)N)C(=O)N1C4CCCCC4 1 3.039 4 5 0 -26.9058962205675 4458829 C1CN(C(C2=CC=CN21)C3=CC=C(C=C3)F)C(=S)NC4=CC(=CC=C4)F 1 5.957 3 0 -12.1656560796383 4458823 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC(=CC=C4)Cl 1 3.437 5 3 0 -21.6378019164419 4458822 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl 1 3.381 2 3 -9.58451510130936 4458788 C1CCN(CC1)C(=S)NC(=O)C23CC4CC(C2)CC(C4)C3 1 4.256 2 1 -9.88303842620162 4458766 C1=COC(=C1)C(=O)CCSC2=CC=C(C=C2)Cl 1 3.935 0 2 0.254076769281393 4458744 CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=CS3)C(=O)OCC4=CC=CC=C4 1 3.885 2 3 -26.8915737155392 4458727 COC1=C(C=C(C=C1)C=NCC2C3=CC=CC=C3CCO2)OC 1 3.373 1 3 -9.68408179598252 4458649 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NCC2CCCO2 1 3.179 3 2 -10.9292810351172 4458623 COC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)OC)N=N2 1 0.959 5 4 0 -8.3259410799466 4458493 CC1=C(C=CC(=C1)Cl)NC(=S)N(CCCN2CCOCC2)CC3=CC=CS3 1 5.411 3 1 -7.47785618596826 4458479 C1CSC2=NC=C(C(=O)N21)C(=O)NCCC3=CC=CC=C3 1 1.551 3 2 0 -15.054409392353 4458460 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)Br 1 3.339 2 3 -18.6710844321002 4458457 C1CC1C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)[N+](=O)[O-] 1 1.455 4 5 0 -7.37420105377444 4458438 CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-] 1 1.9 2 6 0 -23.8021954047864 4458359 C1CCCC(CC1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.106 3 3 -14.9800870878011 4458149 CCN(C1=CC=C(C=C1)OCC)S(=O)(=O)C2=CC=CC3=NSN=C32 1 3.332 3 3 -7.45076210252952 4458112 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CC3=CC=CC=C3 1 3.56 2 3 -4.30186391330761 4457910 CC1=CCC(C(C1)C2=CC=CC=C2)(C(=O)NN=CC3=CN=CC=C3)C(=O)O 1 2.841 3 3 -4.99768143832548 4457907 CC1=CCC(C(C1)C2=CC=C(C=C2)[N+](=O)[O-])(C(=O)NN=CC3=CC=CS3)C(=O)O 1 3.839 3 5 0 -7.90163756378276 4457905 CC1=CCC(C(C1)C2=CC=C(C=C2)Cl)(C(=O)NN=CC3=CC=CS3)C(=O)O 1 4.609 2 3 -3.98524108583871 4457903 CC1=CCC(C(C1)C2=CC=CC=C2)(C(=O)NN=CC3=CC=CS3)C(=O)O 1 3.945 2 3 -6.35698768721055 4457839 CC(C1=NC(=NO1)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3)OC4=C(C=C(C=C4)Cl)Cl 1 4.427 4 3 0 -1.1516973155941 4457834 COC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=NC=C4)OC 1 2.746 4 4 0 -3.35449065604836 4457759 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(C3=CC=CC=C3)O 1 4.108 1 2 -7.26454863108347 4457717 COC(CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)F)OC 1 1.949 2 5 0 -24.4802551701118 4457709 CC1=C(C(=CC=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4OC)C 1 4.756 3 4 0 -2.67956252958831 4457618 CCCCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)F 1 4.253 2 3 -22.971822876842 4457526 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.269 3 5 0 -21.4646998727571 4457518 C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)NN=CC5=CC=C(C=C5)F 1 2.79 8 4 0 -24.3533511335628 4457486 C1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)N=O)N 1 0.502 4 3 0 -4.15440540119131 4457468 C1=CC(=CC=C1C2=NN=C(O2)NC(=O)C3=C(SC(=C3)Cl)Cl)F 1 3.241 3 2 1.29468833803886 4457332 CC(=O)NNC(=O)CC(=O)NC1=NC(=CS1)C23CC4CC(C2)CC(C4)C3 1 1.343 4 3 0 0.441941361605515 4457281 CCCCCOC1=CC=C(C=C1)NC(=O)C(=O)NCCCN2C=CN=C2 1 1.877 4 3 0 -10.1010079772814 4457261 CC1CCN(CC1)C2=NC3=CC=CC=C3N=C2N4CCC(CC4)C 1 3.794 4 0 -1.73649769005499 4457184 C1CCN(CC1)C2=NC(=C3C(=C2C#N)C4=C(N=C3N)OC(C4)CCl)N 1 2.19 6 1 0 -5.40410533642017 4457164 CC1=NC=C(C2=C1OC(=O)C(=C2)C3=NN=C(S3)NC4=CC5=C(C=C4)OCO5)CO 1 1.467 4 5 0 -6.5359061560592 4457143 CCCCC(=O)NC1=NC(=C(S1)C(=O)C)C 1 1.84 2 2 0 -11.742784199612 4457075 CCCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 1 4.664 1 4 -11.4089499658002 4457065 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.344 1 7 0 -17.9354916773998 4457062 C1=CSC(=C1)C(=O)N(C2=NC=C(C=C2)Br)C(=O)C3=CC=CS3 1 4.312 2 2 -7.1041302374153 4457031 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NS(=O)(=O)C3=CC=CC=C3 1 2.755 3 4 0 -11.7064568274251 4457027 COC1=C(C=CC(=C1)C2(C3=CC(=CC(=C3NC2=O)Br)Br)C4=CC(=C(C=C4)O)OC)O 1 4.743 1 5 4.10670273067025 4456997 CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 1 4.792 1 3 -8.64175634116151 4456982 CC(=NN1CCOCC1)C2=CC(=C(C(=C2)OC)OC)OC 1 1.182 2 4 0 -4.33834671862321 4456930 CC1=C(C=C(C=C1)NC(=S)NCC=C)S(=O)(=O)N2CCCCC2 1 3.649 3 2 -22.8319297077931 4456923 C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC(=C3)C(F)(F)F)C(=O)OCC(=O)NCC4=CC=CS4 1 4.58 4 3 0 -6.39281659461398 4456916 C1CC2=CC=CC=C2C(=O)C3(C1)C(CN=N3)C4=CC=CC5=CC=CC=C54 1 5.657 2 1 3.81827262575124 4456612 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C2CC2C 1 2.289 1 5 -16.0352967536016 4456434 CCOC1=CC=CC=C1NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.778 3 3 -7.16363391925912 4456389 C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 1.304 4 4 0 -21.3124670848987 4456291 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCOCC3)N4CCN(CC4)C 1 3.447 5 1 -8.95784108801306 4456236 CC1=CC(=C(C=C1)NC(=O)COC(=O)COC2=C(C=C(C=C2)Cl)C)[N+](=O)[O-] 1 3.688 2 6 0 -7.37482055893298 4456254 CC1=CC(=C(C=C1)NC(=O)C2=CN=C3N(C2=O)C(=CS3)C)C 1 2.112 3 2 -13.904406700074 4456140 CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=CC=C2)S1)C)C 1 2.659 2 3 -12.9254218306291 4455998 CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=COCCO3 1 -0.205 3 6 0 -14.5428624622843 4455991 CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3COC4=CC=CC=C4O3 1 1.654 3 6 0 -11.5894277425377 4455797 CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C=NO 1 2.95 1 4 -21.7491213864742 4455795 CC(C1=CC=CC=C1)NCC2=C(C=CC(=C2)Br)OC 1 4.06 1 1 3.05839820368578 4455755 CCNC1=NC(=NC(=N1)N2CCC(CC2)CC3=CC=CC=C3)OCC 1 3.725 5 1 3.98851855955129 4455754 CCNC1=NC(=NC(=N1)N2CCC(CC2)CC3=CC=CC=C3)OC 1 3.376 5 1 1.4251959671823 4455696 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)NC(C)C4=CC=CC=C4 1 2.579 4 4 0 -25.4583728505855 4455627 C1CCCC(=NNC(=O)C2=CC=CC=N2)CCC1 1 2.598 3 1 -10.9243864574407 4455602 CC1=CC2=C(C=C1)N=C(N2)SC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C)C 1 6.242 3 1 -8.51062350803709 4455600 C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)SC3=CC=CC=[N+]3[O-] 1 4.878 2 2 -7.17161745873172 4455566 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC=CO2)[N+](=O)[O-] 1 1.611 2 6 0 -9.93641243140537 4455564 C1CN(CCN1CCC(=O)NN=CC2=CC=CC=C2OC(F)F)C3=CC=CC=C3 1 3.708 4 2 0.138090261969889 4455561 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SC 1 3.035 4 2 -16.0747101195796 4455409 CCCCNC(=S)NCC1=CC2=C(C=C1)NC3=C2CCCC3 1 5.246 3 0 -5.3321559348261 4455397 CCCC=NNC(=O)CCCCC(=O)NN=CCCC 1 1.702 4 2 0 -10.4522636074383 4455335 CC(=O)NC(C1=CC=C(C=C1)F)C2=CN=CC=C2 1 1.624 2 1 0 -9.54729584811364 4455315 COC1=C(C=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2C4=CC(=CC=C4)[N+](=O)[O-])OC)OC)OC 1 4.343 2 7 0 -22.8769557641328 4455272 C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.127 2 4 -16.8032585565987 4455259 CC1=C(C(=CC=C1)N2CC(CC2=O)C3=NC4=CC=CC=C4N3C)C 1 3.72 3 1 -1.11079032950078 4455225 CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)NC1=S 1 3.535 3 3 -14.8184825773782 4455218 CCC1CCCCN1CCCNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCC(CC4)C 1 2.749 4 4 0 -32.7915732706723 4455188 CC1=C(C=C(C=C1)N2CC(CC2=O)C3=NC4=CC=CC=C4N3C)C 1 3.72 3 1 -3.97259205132194 4455173 CC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=CS4 1 2.906 3 3 -6.36054061713316 4455050 CC(C)(C)C(=O)NC1=NC(=CS1)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.67 3 3 -12.8132413545956 4454833 C1=CC(=CN=C1)CNC(=O)NC2=CC=C(C=C2)Br 1 2.127 3 1 -6.65059787556097 4454820 CC1=CN=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.339 3 1 -0.20125587128763 4454715 COC1=CC(=C(C=C1)C=NNC(=O)C2C(CNC2=O)C3=CC=CC=C3)OC 1 1.777 3 4 0 -8.82717174392226 4454678 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)COC4=CC(=C(C=C4)Cl)C 1 3.971 5 2 0 -11.1743465717514 4454677 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)C4=C(C(=CC=C4)C)OC 1 3.454 5 2 0 -12.5508122538853 4454650 C1=CC(=CN=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.028 3 5 0 -3.7231279954117 4454613 CCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=NN4C(=NN=C4S3)C)C 1 3.841 5 2 0 -11.9831727225093 4454612 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)C4=CC=C(C=C4)OC 1 2.968 5 2 0 -11.6719383548145 4454610 CCOC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C3=NN4C(=NN=C4S3)C)C 1 3.317 5 2 0 -13.4587108789695 4454608 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)C4=CC=CC=C4OC 1 2.968 5 2 0 -13.0252785022141 4454577 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.024 2 4 -10.8401684022072 4454571 CC1=NC=C(N1CCOC(=O)NC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 1.598 4 5 0 -11.9498782879292 4454423 COC1=CC=C(C=C1)OCC(=O)NN=C2CCCC3=CC=CC=C32 1 3.264 2 3 -8.60114017724116 4454421 CC1CCCC(N1N=CC2=CC=C(C=C2)C(=O)OC)C 1 3.091 2 2 -5.00513403858433 4454228 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)C4=CC=CC=C4NS(=O)(=O)C5=CC=C(C=C5)F 1 3.761 3 3 -3.62900290261878 4454203 C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)F 1 3.043 1 2 2.5212488847074 4454112 CC(C)(C)CC(=O)NCCCCCCNC(=O)CC(C)(C)C 1 3.283 2 2 -12.2365735605929 4454109 CC(C)NC(=O)C12CC3CC(C1)CC(C3)(C2)N4C=NC(=N4)Cl 1 2.448 4 1 -8.16423970176387 4454101 CCC(C)N=CC1=C(N=C2C(=CC=CN2C1=O)C)NC3=CC=CC=C3 1 3.396 4 1 -7.84061042939854 4454089 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)CC(C)C 1 4.549 2 4 -10.6774733827896 4454088 CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=NC4=CC=CC=C4S3 1 4.703 3 1 -2.69695709015389 4454085 CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC3=C(S2)N=C4C(=CC=CN4C3=O)C 1 0.593 4 5 0 -35.1668036059801 4453997 CC1=CC=C(C=C1)N2C=NC3=C2C(=O)C4=CC=CC=C4C3=O 1 3.684 2 2 4.37170791417384 4453995 CC1=CC2=C(C=C1)N=C(N=C2NN=CC3=CC=NC=C3)C(Cl)(Cl)Cl 1 3.878 5 0 3.07554986512059 4453937 CCN1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)N(C(=O)N3C)C 1 2.721 6 2 0 -13.1934366211949 4453920 CC1=NC2=C(C(=N1)SC)C(=O)N(C(=O)N2C)C 1 0.773 4 2 0 -13.1872523007354 4453919 CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C 1 4.557 2 3 -13.7605920333533 4453669 C1=CC=C(C(=C1)CSCC(=O)NCCSC2=CC=CC=N2)Cl 1 3.681 2 1 -16.9898693337937 4453660 CCC1C(=O)N(C2=CC=CC=C2S1)CC(=O)NC3CC3 1 1.941 2 2 0 -8.89245543786045 4453474 CCOC(=O)C(=NNC1=CC=C(C=C1)Br)N2CCN(CC2)C3=CC=CC=C3OC 1 4.15 4 3 0 0.27298001176055 4453289 CCOC(=O)C(CC(=O)NC1=C(C=CC(=C1)F)C)(C(F)(F)F)O 1 2.379 1 4 -8.88576802478527 4453135 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3NC(=O)C4CC=CCC4C(=O)O 1 3.065 3 4 0 -5.86155663190668 4453076 CC1=CC(=S)N=C(N1)SC 1 1.867 2 0 0 -7.34267676573764 4453072 CCC(C(=O)NN=CC1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)OC 1 3.229 4 4 0 -10.6629247843934 4452968 CN1C=C(C2=CC=CC=C21)C=NNC(=O)CNC(=O)C3=CC(=C(C=C3)OC)OC 1 2.209 4 4 0 -15.0727341195513 4452965 C1CN(C(C2=CC=CN21)C3=CC=CC=C3F)C(=S)NC4=CC=C(C=C4)Br 1 6.5 3 0 -15.6448661238343 4452901 C1C2=CC=CC=C2C(=N)N1NC(=O)C3=CC=CC=C3 1 1.885 3 1 0 -7.3867801362376 4452667 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)N4CCOCC4 1 0.37 4 4 0 -10.6391745558935 4452668 CC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCOCC3 1 0.72 3 4 0 -17.127103292552 4452670 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)S(=O)(=O)N4CCOCC4 1 0.37 4 4 0 -10.5005088769423 4452604 C1=CC=NC(=C1)CNC2=NC=C(C=C2)[N+](=O)[O-] 1 1.097 4 2 0 -5.27061727335956 4452586 CC1CC2=CC(=CC(=C2N1C(=O)C)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)Br 1 1.937 4 4 0 -19.2206989136388 4452517 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)COC3=NC=NC4=CC=CC=C43)Cl 1 2.016 4 5 0 -15.7964654381948 4452492 CC(C)C(=O)NC1=C2CSCC2=NN1C3=CC=C(C=C3)OC 1 2.931 3 2 -6.46124436360163 4452348 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CO3 1 0.39 4 2 0 -1.12371849043351 4452339 C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)NC(=O)C4=CC=CC=C4F 1 4.046 3 1 -5.96486878460605 4452245 C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)NC(=O)C4=CC(=CC=C4)F 1 4.046 3 1 -3.63147150883277 4452166 CC1=CC=C(C=C1)C(=O)NN2CCOCC2 1 0.926 2 2 0 -7.68652728233635 4452139 CCOC1=CC=C(C=C1)S(=O)(=O)NN=C2CCN(CC2)C(=O)C 1 0.473 3 4 0 -9.7300032910744 4452115 C1=CC=C2C(=C1)C(=NS2(=O)=O)NN=CC3=CC=CO3 1 1.66 3 3 0 -4.71598260109888 4452087 CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC(=CC=C3)F)N 1 3.671 3 4 0 -8.69741835052263 4452062 CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC)C(=O)C(=CC4=CC(=CC=C4)OCC(=O)O)S2)C 1 3.901 2 7 0 -32.4358002691129 4452056 COC1=CC=C(C=C1)CCC(=O)NN=CC2=CC=CS2 1 3.111 2 2 -9.358653122625 4452007 C1=CC=C2C(=C1)C(=NC=N2)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 2.441 4 4 0 -5.04618062179975 4451944 CCOP(=O)(C1=C(OC(=N1)C2=CC=CC3=CC=CC=C32)N4CCCCC4)OCC 1 4.243 2 4 4.14007697525629 4451913 CC(=NNC(=O)OC)C1=CC=C(C=C1)OC(F)F 1 2.448 2 3 -5.43462001636536 4451759 CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)C)C5=CC=CC=C5 1 5.088 4 2 1.9611627406646 4451747 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C(C)(C)C 1 2.881 3 5 0 -6.55639633802083 4451674 C1=CC=C(C=C1)C2=NN3C(=C2)N=CC(=C3N)C4=CC=CC=C4 1 3.36 4 0 -0.546746628863539 4451673 CC1=NN2C(=C(C=NC2=C1C3=CC=C(C=C3)Cl)C4=CC=CC=C4)N 1 3.879 4 0 0.632712803233606 4451672 C1=CC=C(C=C1)C2=C(N3C(=C(C=N3)C4=CC=CC=C4)N=C2)N 1 2.932 4 0 -4.65011236490194 4451657 COC1=CC=CC(=C1)N2C(=C(SC2=S)C3=NC4=CC=CC=C4N3)N 1 4.532 4 1 1.50679718607767 4451623 CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35 1 4.741 3 2 -7.98890493789202 4451622 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CN(N=C3)CC4=CC=CC=C4 1 4.058 4 2 -14.0348654739311 4451615 CC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=NC=C4)S2 1 3.202 4 1 -5.45968413284604 4451569 CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3)C 1 2.276 4 4 0 -21.4471827188307 4451568 CS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCC(=O)O 1 1.354 3 5 0 -16.5171651680422 4451559 C1CCC(CC1)C(=O)NCCN2C=CC3=CC=CC=C32 1 3.648 2 1 -12.156056029743 4451523 CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCCCC3)NC1=S 1 3.802 3 2 -9.76160102803789 4451522 CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)NC1=S 1 4.08 3 2 -11.6668319660735 4451466 CC1(CC2=C(C(=O)C1)C(=O)C(=C(N2C3=CC=CC=C3)O)C4=CC=CC=C4)C 1 4.5 1 3 -7.1981411933885 4451465 COC1=CC=C(C=C1)C2=C(SC(=N2)N3CCCCCC3)C(=O)C4=CC=CC=C4 1 5.368 2 2 2.79095422096729 4451422 CC1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)F 1 3.937 2 2 -17.4813729257285 4451417 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4 1 3.612 4 5 0 -7.18462300809392 4451393 CC1=CC=CC=C1CSCC(=O)NCCSC2=CC=CC=N2 1 3.503 2 1 -18.0147950181516 4451323 CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)NC2=CC=CC=N2 1 2.734 3 3 -13.316907242331 4451305 CNC(=S)NCC1=CC2=C(C=C1)NC3=C2CCCC3 1 3.917 3 0 -3.13770678167946 4451245 CC(C)(CN1CCN(CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.003 3 2 -5.97340977902511 4450757 CC1=CC(=C(C=C1)C)CSC2=NN3CCCC(=O)N=C3S2 1 4.678 3 1 -9.70519409989723 4450713 CC1CCC2(CC1)NC(CO2)(CO)CO 1 1.9e-002 1 3 0 -2.59396698068254 4450650 CC(C1=C(C=CC(=C1)OC)OC)NC 1 1.712 1 2 0 -2.49126049244077 4450621 C1=CC(=CC(=C1)Cl)N2C(=NNC2=S)CNC(=O)C3=CC=CS3 1 3.356 4 1 -8.77005888792076 4450596 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=N4)F 1 2.795 3 4 0 -20.3802314767228 4450560 C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=NC=C3)[N+](=O)[O-])Cl 1 3.344 5 4 0 -1.92273928150737 4450552 C1CSC(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)Cl 1 4.018 2 3 -12.102714378626 4450475 C1CC(OC1)CNC(=O)CSC2=NC(=CN2N)C3=CC=CC=C3 1 1.674 4 2 0 -14.5880958907681 4450472 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC3=NC=NC4=CC=CC=C43 1 1.838 4 5 0 -18.9721370312433 4450344 COC1=CC=CC=C1N(CC(COC2=CC=CC=C2)O)S(=O)(=O)C3=CC=CC=C3 1 3.628 1 5 -13.1103869859626 4450300 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)N4CCOCC4)C 1 1.136 4 4 0 -7.93937181218271 4450299 C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 0.577 3 4 0 -15.0478513262664 4450255 CCCSC1=NN=C2N1N=C3C4=CC=CC=C4N(C3=N2)C 1 4.035 6 0 -11.7646347533236 4450254 CCSC1=NC(=O)C(=NN1)C2=C(C=CC(=C2)Br)NC(=O)C 1 2.443 4 2 -12.2689735575331 4450244 CCN1C(=C(C=N1)Br)C(=O)NC2=CC=CC=C2OC 1 2.636 3 2 -8.13796946946108 4450219 C1CN(CCC1C(=O)N)C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 2.271 2 2 -4.51827000476914 4450213 CC1=C(N=CC=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.018 2 1 -8.05653513643582 4450204 CC1=CSC(=N1)SCC(=O)NC2=NC=CS2 1 1.285 3 1 0 -15.8761469404746 4450192 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3F)CC4=CC=CC=C4OC 1 4.72 4 3 0 -8.26194902742609 4450191 COC1=CC=CC=C1CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4 1 4.561 3 4 0 -16.3071399557574 4450014 CC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5 1 2.721 3 5 0 -8.02982965135296 4449954 CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C(F)(F)F)C 1 3.186 3 1 -7.24215873267009 4449943 CC1=C(C=C(C=C1)C(=NNC(=O)OC)C)[N+](=O)[O-] 1 2.023 3 4 0 -10.1885251999939 4449930 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 3.442 2 5 0 -21.3089173047748 4449929 COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC 1 3.115 3 6 0 -18.0059439927816 4449864 CC1=C(C(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C(F)F)Cl 1 1.698 6 4 0 -23.9223548192551 4449863 CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.423 2 6 0 -17.5186999139892 4449898 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 1.969 4 5 0 -13.708881750461 4449892 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 2.688 2 5 0 -23.3052664247124 4449807 CC1CCCC(C1C)NC(=O)CSC2=CC=C(C=C2)F 1 4.066 1 1 -8.41274728407992 4449784 CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4 1 3.236 4 4 0 -20.5042132451255 4449736 CC1CCCC(N1C(=O)CSC2=NC(=O)C=C(N2)C)C 1 1.905 3 2 0 -20.691884206928 4449716 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=NC=CN=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl 1 1.744 5 4 0 -7.83054796422781 4449548 COC1=CC=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)NCC4CCCO4 1 1.23 4 6 0 -26.2562784786547 4449541 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(C3=CC=CC=C3)O)C 1 2.949 2 3 -14.2706474046727 4449350 CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C4=CC=CC=C4)C5=CC=CO5)Cl 1 4.906 3 4 0 -5.35293598084101 4449264 C1=CC=C(C(=C1)N2C(=O)C3=CNNC3=NC2=S)Cl 1 1.681 4 1 0 -3.55613600701596 4449217 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=C(C=C4)F 1 4.403 2 5 0 -22.5373895155809 4449147 CC(C)CC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC(=CC=C3)Cl 1 2.842 3 3 -5.1116612638264 4449138 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)NC3CCCCCCC3)C(=O)O 1 4.222 1 5 -6.01020272649947 4449107 C1=CC(=CC(=C1)NN=CC2=CC(=C(C=C2)F)F)C(=O)O 1 3.489 2 2 -0.582258725982544 4449066 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCCC4)C(=C2)C 1 4.569 5 0 -8.64173202752026 4449020 C1CCC(CC1)N(CCNC(=S)NC2=CC(=CC=C2)Cl)C3CCCC3 1 6.575 3 0 -3.11028600755381 4448969 C1CCC(C1)CC(=O)NCCC2=CN3C=CC=CC3=N2 1 2.076 3 1 -17.8448379297617 4448950 CC1=C(C=C(C=C1)NC(=S)NCCN(C2CCCCC2)C3CCCC3)C 1 6.883 3 0 -6.10707007889937 4448948 CC1=CC=C(C=C1)NC(=S)NCCN(C2CCCCC2)C3CCCC3 1 6.397 3 0 -5.85915526425925 4448946 CC1=CC(=CC(=C1)NC(=S)NCCN(C2CCCCC2)C3CCCC3)C 1 6.883 3 0 -6.32335318010741 4448844 CC(C(C1=CC=CS1)N2CCOCC2)NC(=O)C3=CC=CO3 1 2.096 2 3 -6.96569194685708 4448794 CCCC(=NNC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C)C3=CC=CC=C3 1 4.023 5 1 -23.6503540940727 4448752 CC1=C(C=CC(=C1)OC)CCCC(=O)NCCC2=CC=CC=C2 1 4.359 1 2 -11.5575636180842 4448712 CC1=CC(=C(C=C1)C)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCCN4CCOCC4 1 1.873 4 5 0 -21.7917123310929 4448684 CC1=NN(C(=C1C=NNC2=CC=CC(=C2)C(=O)O)Cl)C3=CC=CC=C3Cl 1 4.711 4 2 -1.91040310179815 4448655 CC1CCCN(C1)C(=S)NCC2=CC=CC=C2 1 4.013 2 0 -10.7181322123504 4448626 CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C 1 2.701 5 3 0 -22.9214877401421 4448532 C=CCNC(=O)C1=CN=C2N(C1=O)CCS2 1 0.263 3 2 0 -18.9448484729838 4448530 CC1=NN=C(S1)NC(=O)CSC2=NN3CCCC(=O)N=C3S2 1 1.493 6 2 0 -22.0602945662364 4448509 CC(CCC1=CC=CC=C1)NC(=O)C2CCC2 1 3.326 1 1 -5.73516908752287 4448498 CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC4=CC(=O)N5C=C(C=CC5=N4)Cl)F 1 3.311 4 3 0 -11.4278557966985 4448451 CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CO3 1 2.889 2 3 -11.02081272718 4448318 C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)NN=C3)Cl 1 2.922 3 1 -5.41743381305335 4448292 C1=CC(=CC=C1NC2=NC=CC(=O)N2)[N+](=O)[O-] 1 0.719 4 3 0 -5.89058176369164 4448288 CC1=C(C=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CN=CC=C3)C 1 4.342 4 1 -10.158454971167 4448276 C1CCC(CC1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.65 3 3 -14.9800870878011 4448271 CCCCCCNCC1OCC2=CC=CC=C2CO1 1 3.3 1 2 -0.218251282537538 4448104 COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=O)C3=CC(=C(C=C3)OC)OC 1 2.259 2 6 0 -16.773645849343 4448098 CC(=NNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2)C3=CC4=C(C=C3)OCO4 1 2.706 3 5 0 -11.093570944272 4448084 CCCC(=NNC(=O)C1=CSC(=C1C)C)C2=CC=CS2 1 4.034 2 1 -9.22508212320774 4447997 CN(C)C(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=C(C=C2)Cl 1 3.32 2 2 -4.62893350486123 4447969 CC1=NN(C(=C1C(C2=CC=CC=C2)C3=C(N(N=C3C)C4=CC=CC=C4)N)N)C5=CC=CC=C5 1 4.862 6 0 -5.10169000023077 4447963 CC1CCCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 4.008 2 2 -5.57208336370603 4447959 CC1CCC2=C(C1)N=C3C(=C2N)C4=C(S3)CCCC4 1 4.149 2 0 -8.04555144320125 4447937 CC1=CC=C(C=C1)N=C(N(C)C)P(=O)(N(C)C)N(C)C 1 1.294 4 1 0 0.559829200217398 4447740 CC(=NNC(=O)C(=O)N)C1=CC=C(C=C1)Br 1 0.896 3 2 0 -6.15613251248624 4447725 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC2=NCCCCC2 1 2.857 3 2 -15.0877384049231 4447576 CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)OCC(=O)O)SC2=N1)C4=CC(=CC=C4)OC)C(=O)NC5=CC=CC=C5 1 4.482 3 6 0 -30.7411230755808 4447506 COC1=CC(=C(C=C1)O)CNC2=CC=CC=C2F 1 3.169 1 2 4.82203035933669 4447461 CC1=CC=CC=C1OCC(CN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C)O 1 2.493 4 4 0 -11.7939381699354 4447338 CCOC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)N3C(=O)C4CCCCC4C3=O)[N+](=O)[O-] 1 2.521 4 6 0 -8.78345056456454 4447222 CCOC(=O)C(=NNC1=CC=CC(=C1)C(F)(F)F)N(CCOC)CCOC 1 2.469 3 4 0 -3.1786892101674e-002 4447190 CC1=CC=C(C=C1)NC2=C(C(C(C(=C2)C)C(=O)OC)C3=CC=C(C=C3)OC)C(=O)OC 1 4.363 1 5 -8.28216007140628 4447154 CCC1CCCCN1C(=O)COC(=O)C2=CC=C(O2)Br 1 2.732 1 4 -12.8672172138212 4446998 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2)C 1 2.531 2 6 0 -24.5182961887709 4446923 COC1=C(C2=CC=CC=C2C=C1)C=NNC3=CC(=C(C=C3)Cl)C(=O)O 1 4.635 2 3 1.50927618481035 4446913 C1COCCN1C2=NSN=C2OCC(=O)NC3=CC(=CC=C3)Cl 1 1.785 4 3 0 -3.88408343209307 4446750 CCCCC(=O)NC(C(Cl)(Cl)Cl)N1CCCCC1 1 3.806 2 1 -17.2805582331867 4446749 CCOC(=S)SCC1=CN2C=CC(=CC2=N1)C 1 3.495 2 1 -6.03587436382844 4446740 C1CN(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC4=CC=CC=C43 1 4.694 3 3 -10.5296296380689 4446620 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NC23CC4CC(C2)CC(C4)C3 1 3.772 3 2 -13.692154421389 4446619 CS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)C4=CC=C(C=C4)F 1 3.379 3 3 -9.46126634361348 4446613 CC1CN(CC(O1)C)C(=O)COC2=C(C=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)O)OC 1 2.117 3 6 0 -17.6142291159459 4446548 CCC(=NNC(=O)CNC1=CC=C(C=C1)F)CC2=CC=CC=C2 1 3.221 3 1 -8.71620839428152 4446431 CC1=NN=C(N1N)NN=CC2=CC=CC=C2F 1 0.691 6 0 0 -6.10583437875863 4446421 CCC(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N=CC=C3 1 4.373 1 1 -2.38091046138049 4446348 C1CC1C(=O)NN=C2CC(OC3=CC=CC=C23)C4=CC=CC=C4 1 3.287 2 2 -5.0217411177993 4446326 C1CCC2=C(C1)C=CC(=C2)C3=NN=C(O3)NC(=O)C4=C(C=CC=C4F)F 1 4.379 3 2 -6.31422466601373 4446263 C1CCC(CC1)C(=O)NCCC2=CN3C=CC=CC3=N2 1 2.287 3 1 -12.7619764353185 4446135 CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC4=C(C=C3)OCO4)C 1 2.005 4 5 0 -28.0479024775982 4446089 CC1=NN=C(S1)NC(=O)CSC2CCCCC2 1 2.024 3 1 -13.5630906736857 4446050 CSCCC1C(=O)N(C(=O)N1)CC(=O)NC2=C(C=C(C=C2)Br)Br 1 1.99 3 3 0 -11.3783671908526 4446025 C1CN(CCC12OCCO2)C(=O)C3=CC=C(C=C3)CNC(=O)C4=CC(=CC=C4)Br 1 2.848 2 4 -13.7470177698761 4445701 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.778 2 7 0 -28.4578561772555 4445692 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 -0.193 2 6 0 -29.0135184952348 4445460 C1=COC(=C1)C2=CC(=NO2)C(=O)NC3=C(C=CC(=C3)Cl)O 1 3.124 2 4 1.54955600816825 4445439 C1CCCC(CCC1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.32 2 6 0 -27.4990309416047 4445424 CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=O)C3CCCCC3C2=O)C 1 2.195 2 5 0 -11.5442171372568 4445409 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5 1 4.505 5 4 0 -15.8601917406999 4445385 CC1(CC1(Br)Br)C(=O)NCCCNC(=O)C2(CC2(Br)Br)C 1 2.298 2 2 -7.71655792352624 4445356 C1COC2=CC=CC=C2C13C(=O)N(C(=O)N3)CC(=O)NCC(F)(F)F 1 0.659 3 4 0 -13.2566239897108 4445247 C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)SC3=NC4=CC=CC=C4N3 1 4.989 3 1 -6.97929628540633 4445182 COC1=C(C=C(C=C1)C(=O)NCCN2CCCC2)[N+](=O)[O-] 1 1.515 3 4 0 -11.6960883913803 4445082 CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC 1 4.144 5 2 0 -2.05871596797175 4445081 CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O 1 3.918 5 2 0 0.234124352311533 4444891 CC1CCCC(N1C(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C 1 1.838 3 4 0 -16.2512145298646 4444876 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.313 3 6 0 -23.4966276202925 4444836 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C#N 1 6.245 3 2 -28.7457495667993 4444797 COC1=C(C=C(C=C1)C=NNC2=C3C=CC=CC3=NC2=O)O 1 1.669 3 3 0 -1.51741144805329 4444796 CC(C)NC(=S)NN=C1CCCCC1C2CCCCC2 1 4.85 3 0 -12.5589704159123 4444649 C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C(=N)N(C=N5)CCCO 1 3.496 3 2 -1.00930980545642 4444634 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.585 3 7 0 -19.6989160924402 4444605 COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 3.361 4 3 0 -16.6751672199219 4444521 CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCC(CC4)C 1 5.185 4 2 -21.8444029519231 4444511 C1=CC=C(C=C1)CC(=NNC(=O)C2=CC=C(C=C2)F)CC3=CC=CC=C3 1 4.593 2 1 -5.16981666109362 4444485 CCCC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)C 1 3.191 2 2 -22.3668068155012 4444351 CCOC(=O)CSC(C)C(=O)NC1=NN=C(S1)C(C)C 1 1.835 3 3 0 -15.7988435934369 4444347 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC3=C2CCN(C3=O)CC4=CC=C(C=C4)F 1 2.565 3 5 0 -10.4820631404019 4444272 C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CC=C4 1 4.326 3 3 -15.8625963444066 4444131 C1=CC(=C(C(=C1)Cl)C(=O)NCC2=NN=C(O2)SCC(=O)NCC3=CC=C(C=C3)F)F 1 2.991 4 3 0 -24.3760202604908 4444133 COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC4=CC=CC=C4O3 1 2.904 2 4 -6.26826656571661 4444078 CC1C(C2=CC(=C(C=C2N1C)NC(=O)C3=CC=CS3)P(=O)(NC4=CC=C(C=C4)[N+](=O)[O-])N5CCOCC5)(C)C 1 3.46 5 5 0 -10.0583186100968 4443990 C1CCC(CC1)C(=O)NC2=NN=C(O2)C3=CC4=C(C=C3)OCCO4 1 2.703 3 4 0 -1.20185211982061 4443962 C1CCC(CC1)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCCN5CCOCC5)C(=O)NC6=CC(=CC(=C6)Cl)Cl 1 2.379 4 5 0 -3.89733803292828 4443789 CC1CCN(CC1)C(=O)C2=C(C3=C(N=CN=C3S2)N(C)C4=CC=CC=C4)C 1 4.767 4 1 -12.1203802615498 4443756 CC(C)CCN1C(=O)CCC1(C)C(=O)NC2CCCCCCC2 1 3.693 2 2 -11.8361277556542 4443607 COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)F)OC 1 3.898 2 3 -3.28748389868657 4443606 CC1=CC=C(C=C1)CN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC 1 4.179 2 3 -3.99936092415182 4443473 CC(C)(C)C(=O)CN1C2=C(C=C(C=C2)Br)C3(C1=O)OCCO3 1 2.602 1 4 -8.75520621536663 4443300 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 0.82 2 7 0 -21.869092548061 4443251 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=CC=C4 1 3.66 6 4 0 -15.954900504442 4443250 C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)NC3=CC(=C(C=C3)F)F 1 3.172 2 3 -13.6886296525886 4442992 CC(C(C1=CC(=O)C(=CO1)OCC2=CC=CC=C2)O)[N+](=O)[O-] 1 1.215 1 6 0 -3.67978347639472 4442989 C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)N)CO 1 2.608 1 1 9.63665924728381 4442955 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=C3CCCC(=O)C3)C 1 2.839 4 2 -15.5515736278872 4442946 CC1=CC=C(O1)C2=CSC(=N2)CCN3C(=CC(=N3)C)C 1 2.876 3 1 -2.80251523212365 4442871 C1=CC=C(C=C1)C(CC(=O)O)CN2C=NN=N2 1 0.542 4 2 0 -18.0450231470798 4442773 CC1=C(C2=CC=CC=C2N1)C(C3=CC=NC=C3)N4CCN(CC4)C5=CC=CC=N5 1 3.822 5 0 -0.45856370130808 4442688 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 2.86 3 3 -13.4187435381023 4442686 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)F 1 2.292 2 4 -14.6971436742281 4442685 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.382 2 6 0 -23.1018282596163 4442561 CCN1C(=C(C=N1)Br)C(=O)NC(C)C2=CC=CC=C2 1 3.037 3 1 -8.85950999540479 4442467 C1CN=C(N1)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3 1 1.225 4 1 0 -11.2038760036035 4442420 C1CN(CCN1C2=NC=CC=N2)C(=O)C34CC5CC(C3)CC(C5)C4 1 1.886 4 1 0 1.6616701118137 4442363 CC1=CC=CN2C1=NC(=C2)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.014 3 4 0 -14.7045772368339 4442247 CC1CCN(CC1)CCCNS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4 1 3.018 3 3 -17.927952578033 4442246 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C4C(=CC(=C3)Br)CCN4C(=O)C5CC5 1 2.317 4 4 0 -23.0651456569863 4442239 CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC(C)C2=CC=CC=C2)OCC(=O)N3CCOCC3 1 1.975 2 7 0 -26.8265656694956 4442236 COC1=CC=C(C=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-] 1 2.999 3 5 0 -15.2917064210721 4442194 C1CCN(CC1)C(=S)SCC(=O)N2C(CC=N2)C3=CC=CC=C3 1 3.807 3 1 -7.32618578034273 4442062 CC1(C2(CCC1(C2Br)C(=O)N)C)C 1 1.725 1 1 0 -2.55686863349176 4442034 CC(C)NC(=S)NN=C(C)C1=CC=CC=C1 1 2.938 3 0 -12.323173646085 4441859 CSC1=NN=C(O1)C2=CC(=CC=C2)NC(=S)NN 1 2.125 5 1 -4.18740011753667 4441793 COC1=C(C=C(C=C1)CN(CC=C)C(=O)N2CCOCC2)OC 1 1.636 2 4 0 -19.9845502138179 4441779 C1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=C(C=C3)Br)CC4=CC=CC=N4 1 4.504 4 2 -7.42607780664772 4441763 C1COC(=O)C1SC2=NN=C(O2)C3=CC4=C(C=C3)OCO4 1 1.704 2 5 0 -3.40753297082453 4441753 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2OCC4=CC=C(C=C4)Cl 1 3.431 2 1 6.53183381494908 4441683 C1=CC(=CC(=C1)Cl)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4 1 3.434 8 2 0 -22.5498817544294 4441495 CCOC(=O)C1=C(C2=C(S1)N=C(S2)NC(=O)C(C)(C)C)C 1 3.828 2 3 -16.3448798804684 4441417 CCOC(=O)C(=CNC1=CC(=NN1C2=CC=C(C=C2)C)C)C(=O)OCC 1 3.127 3 4 0 -3.45722295058497 4441413 CN1CC(C(C1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.891 1 1 3.02146254393092 4441406 COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC4CCCO4 1 2.538 4 4 0 -9.11375869496626 4441353 CC1(CC2CC(C1)(CN2C(=O)COC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)Cl)C)C 1 3.381 2 4 -20.4860271067621 4441338 CC1=CC=CC=C1NC(=O)CC2=C(NC3=CC=CC=C3C2=O)O 1 2.918 2 3 -9.99354218832618 4441311 CCOC1=CC=C(C=C1)C=NOCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC 1 1.452 3 7 0 -20.6609124452377 4441309 C1CC2CC1CC2NC(=S)N3CCN(CC3)S(=O)(=O)C4=C(C(=C(C=C4)F)F)F 1 3.996 3 2 -17.2073868827156 4441303 C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NC3=CC=C(C=C3)O 1 2.66 3 3 -7.99534700368565 4441219 C1=CC=C(C(=C1)NC(=O)CS(=O)C2=CC=CC(=C2)C(F)(F)F)Cl 1 3.503 1 2 2.70468740464073 4441191 C1CN(CC2=C1C3=C(S2)NC(NC3=O)C4=CC=CO4)CC5=CC=CC=C5 1 3.445 3 2 -7.91344985651022 4441050 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)N3CC(=O)C(=C3N)C4=CC=CC=C4 1 3.139 3 4 0 -10.8163845759434 4441046 CCCCOP(=O)(C1(C=CC(=O)C2=CC=CC=C21)NS(=O)(=O)C3=CC=CC=C3)OCCCC 1 4.581 1 6 0 -6.31747567150265 4440926 CC1CC(CN(C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NC4=CC5=C(C=C4)OCO5)C)C 1 2.894 4 5 0 -25.7279307278171 4440906 CC(=O)NC1=CC=CC=C1C2=NNN=N2 1 0.419 5 1 0 -4.5710104098706 4440865 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 2.009 3 5 0 -17.2792858633579 4440860 CC1(CC(C2=CC=CC=C2N1C(=O)N)(C)C3=CC=CC=C3)C 1 3.549 2 1 -7.8846188407686 4440827 CC1(C(N(C(=S)S1)NC(=O)NC2=CC=CC=C2)N(C(=O)NC3=CC=CC4=CC=CC=C43)O)C 1 4.831 5 3 0 -4.81377692887719 4440793 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=COCCO3 1 -0.977 2 9 0 -27.3879564845242 4440751 CC1=CC=C(C=C1)C2=NN=C3N2N=C(CS3)C4=CC=CC=C4 1 4.206 4 0 -1.83634309300598 4440741 C1CC(=O)N=C2N(C1)N=C(S2)SCC(=O)NC3=CC(=CC=C3)Cl 1 3.423 4 2 -12.2067007624921 4440688 CC1=C(CC(C(C1)C(=O)NC2=NC(=C(S2)C)C3=CC=C(C=C3)F)C(=O)O)C 1 4.004 2 3 -3.12664750065486 4440626 CC1=CC=CC=C1NC(C)C(=O)NN=CC2=CC=CC=C2OCC3=CC(=CC=C3)Br 1 5.629 3 2 -6.57596468509337 4440588 CN1CCC2=C(C1=O)C=CC=C2OCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F 1 3.899 3 3 -8.80152774833064 4440566 CC1CCC(C(C1)OP(=O)(C2=CC=CC=C2)NC3=CC=CC=N3)C(C)C 1 4.713 2 2 -1.39639960831539 4440489 CC1=NC2=C(N1C3=CC(=CC=C3)Cl)C=CC(=C2)C(=O)NCCOC 1 3.13 3 2 -6.78081608790931 4440481 CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4CCCCC4C3=O)C 1 4.213 2 3 -6.40566406574428 4440450 CC1=CC=CC=C1N2C(=O)CC(C2=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.778 3 4 0 -2.22271619377029 4440438 CC1=C(C=C(C(=C1)[N+](=O)[O-])C(C)(C)C)N 1 2.864 2 2 0.353292425777245 4440390 C1CC2=CC=CC=C2C(=NOS(=O)(=O)C3=CC=CC=C3)C1 1 3.763 1 3 -3.05020365211755 4440356 C1COCCN1C2=NN3C(=NC4=CC=CC=C4C3=O)C=C2 1 0.806 4 2 0 -8.88896254534025 4440333 CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(C)C)C(=O)C(=CC4=CC=C(C=C4)OCC(=O)O)S2)C 1 4.627 2 7 0 -34.5519732190826 4440231 CC1=CC(=CC(=C1)NC(=S)NC2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=CC=C3OC)C 1 6.474 3 3 -9.40301607653948 4440228 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=CC(=C2)Cl)Cl 1 4.422 2 3 -13.583705959244 4440220 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 5.249 2 3 -7.69764294633164 4440197 CCC(=O)N1CCN=C1SCC2=C(C=CC=C2Cl)F 1 3.764 2 1 -14.1539966246113 4440184 CCCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3 1 4.697 2 6 0 -16.7604330650681 4440170 CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C=O)Cl 1 4.95 1 4 -17.3228014636506 4440126 CC1=CC=C(C=C1)C(=O)NC(C)C2=NC3=CC=CC=C3N2CC(=O)NC4=C(C=C(C=C4C)C)C 1 5.601 4 2 -14.6616984153952 4440124 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC4=CC=CC=C43 1 2.015 2 8 0 -35.3082931881248 4440057 CC12CCC(C=C1)N(O2)C3=CC=C(C=C3)C(=O)OC 1 2.72 1 3 -2.9264026288849 4440045 C1C(C2=C(COC2=O)NC1=O)C3=CC(=CC=C3)Br 1 1.53 1 3 0 -8.02121926687971 4440044 C1C(C2=C(COC2=O)NC1=O)C3=C(C=CC=C3Cl)F 1 1.652 1 3 0 -11.2550430167118 4439951 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CO4 1 3.707 3 5 0 -18.7342328874091 4439884 C=CCC(C1=CC=CC=C1F)N(CCN2CCOCC2)C(=O)NC3=CC(=CC=C3)Cl 1 4.398 3 2 -4.05605427931786 4439874 C1CCCC(CCC1)NC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC=CS4 1 4.286 2 2 -12.181346491956 4439843 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)OCC(=O)NC4=CC(=CC=C4)Br 1 3.432 2 5 0 -10.6349575639331 4439783 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=C(C(=C3)OCC)N4CCOCC4)OCC 1 2.733 3 6 0 -9.75093530642312 4439772 CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=NOC(=C1)C 1 2.857 3 2 -15.0626327902783 4439655 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.302 3 6 0 -22.4175499565331 4439653 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC(=C4)C(=O)OCC)C(=O)O 1 2.598 6 5 0 -14.9160188978716 4439635 CCOC(=O)C1=C(N(C(=S)S1)C2=CC=C(C=C2)C)N 1 3.798 2 2 -5.86454354474167 4439580 COC1=CC=CC=C1C=NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O 1 2.289 2 5 0 -2.20553007588717 4439411 COC1=CC(=CC(=C1NC(=O)N2CCOCC2)[N+](=O)[O-])[N+](=O)[O-] 1 0.612 4 7 0 -8.48567778130214 4439357 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N(CC3=C(N(N=C3C)C)C)C(=S)NC4=CC=CC=C4OC 1 4.875 5 3 0 -7.03888730654041 4439167 C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CS(=O)CC4=CC=C(C=C4)Br 1 6.353 3 1 -6.53131747093347 4439162 C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)O 1 1.538 1 4 0 -11.5862166378037 4438915 CCN(CC)CCNC(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)C 1 4.059 6 0 -5.07436558678277 4438911 CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)C 1 2.071 2 1 -6.63936745171536 4438847 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=CC=CC=[N+]3[O-] 1 0.34 3 6 0 -25.9154156597022 4438778 CC1=C(C(=CC=C1)C)OCC(=O)N(CC2=CC=CO2)C3CCS(=O)(=O)C3 1 2.324 1 5 -18.7215630313449 4438754 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=O)S3)C(=O)C 1 3.509 1 5 -5.59847622198134 4438745 CCNC1=NC(=NC(=N1)OC2=NN(C(=O)C=C2)C3=CC=CC=C3)N(C)C 1 2.163 7 2 0 -7.10391649484088 4438738 C1=CN=CC=C1C=NNC2=C(C=NC=C2Cl)Cl 1 2.476 4 0 3.61128326419719 4438641 C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OC(=O)CNC(=O)C3=CC=CC=C3 1 4.707 2 4 -17.2568522248807 4438640 CC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=C(C=C3)OC)OC)(F)F 1 3.612 1 3 -4.24466300988316 4438636 C1=CC(=CC(=C1)NN=CC2=CN=CC=C2)C(=O)O 1 1.927 3 2 0 -1.23979204712933 4438635 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(C=C(C=C3C(=C2)C)C)C 1 3.678 2 3 -16.4103373924934 4438634 COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3C(=O)NC4=CC=CC=C4S3 1 2.865 1 6 0 -14.0623581710269 4438624 C1COCCN1C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -0.747 3 4 0 -13.3613351696498 4438603 C1=CC=C(C=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO 1 0.384 6 4 0 -3.83948637536874 4438573 CC(C(=O)NN=CC1=CC=CC=N1)OC2=CC=CC=C2 1 2.28 3 2 -4.90228376776091 4438525 COC1=CC=C(C=C1)N2C(CC(=O)C(=C2SC)C(=O)OC)C3=CC=CC=C3 1 4.291 1 4 -5.51421293298055 4438447 C1CN2C(N(C(=O)N2C1)C3=CC=CC=C3)C4=CC=CC=C4 1 2.554 3 1 -5.85538813631477 4438424 C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)N)[N+](=O)[O-] 1 2.107 5 2 0 -3.34583801425206 4438422 C1C2=C(N(N=C2CS1(=O)=O)C3=CC(=CC=C3)Cl)NC(=O)C4=CC5=C(C=C4)OCO5 1 2.899 3 5 0 -4.28198293232311 4438419 CC1=CC=C(C=C1)S(=O)(=O)NCCOC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 0.998 6 5 0 -6.55354205880827 4438402 CCN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=CS4 1 4.874 3 1 -6.35220590602697 4438332 CC1=CC=C(C=C1)CNC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=CC=C3Cl 1 2.87 3 3 -9.86547418696518 4438305 CC1CC(CN(C1)C(=O)COC(=O)CC2=CC=C(C=C2)Cl)C 1 3.206 1 3 -10.17387002122 4438303 COC1=CC=CC=C1NC(=O)COC(=O)C2CC2 1 1.398 1 4 0 -13.8634466025427 4438134 C1CCN2C(C1)COC3=NC4=CC=CC=C4N=C32 1 2.662 3 1 0.951306660269621 4438099 CCN1CCN(CC1)CC(=O)C2=C(N(C3=C2C=C(C=C3)OC)CC4=CC=CC=C4)C 1 4.094 3 2 -2.95683394242229 4438052 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)N(CC)CC)Br 1 2.383 2 4 -23.6852460415739 4437901 CC(=NNC(=O)CNC(=O)C1=CC=C(C=C1)Br)CC2=CC=CC=C2 1 2.497 3 2 -13.5254913166201 4437665 C1CC(OC1)CNC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3 1 -0.463 5 5 0 -24.2566257995799 4437664 COC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.387 4 6 0 -12.9092345966351 4437657 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C3=CN4C=CC=C(C4=N3)C 1 2.563 3 3 -14.0352558537257 4437607 CC1=CC(=C(C=C1)NC2=NNC(=C2[N+](=O)[O-])C)C 1 2.738 4 2 0.890741256175626 4437603 CC1=CC=C(C=C1)C2CC(=NN2C(=O)CCl)C3=CC=CS3 1 3.724 2 1 -5.15805509811691 4437595 CC1=C(C=CC(=C1)N)N2N=C3C=CC=CC3=N2 1 2.911 4 0 0.17160894632744 4437482 CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCC2=O)S(=O)(=O)N3CCOCC3 1 0.281 2 7 0 -29.2877564539722 4437478 C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NCCCC4=CC=CC=C4 1 3.997 1 3 -9.33691056685447 4437447 C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)S(=O)O2 1 3.633 0 2 0.717101585109114 4437386 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 0.211 4 6 0 -23.8882501239082 4437359 C1CCCN(CC1)C2=NC(=C(S2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 5.385 2 1 2.43637255174799 4437250 CCNC(=S)N(CCC1=C(NC2=CC=CC=C21)C)CC3=CN=CC=C3 1 4.319 4 0 -8.80516096042851 4437203 CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)N=CS4)C 1 2.973 3 2 -16.2713920333608 4437145 CC1=C(C=CC(=C1)C(=O)NCC(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)[N+](=O)[O-] 1 5.087 3 6 0 -20.7753901943456 4437083 CC1CC2=CC=CC=C2N1C(=O)CSC3=NC(=CS3)C4=CC=CC=C4 1 4.61 2 1 -10.4573482068254 4437021 CCCCC(C(=O)NC(C)C1=CC=CC=C1)C(=O)NC(C)C2=CC=CC=C2 1 4.515 2 2 -9.25102490932404 4436991 CC1=C(N=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)OC 1 2.745 3 5 0 -7.41707268233315 4436977 CCN(CC)C(=O)C1=C(NC(=S)NC1C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C 1 5.447 5 1 -12.9436332579161 4436865 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3)OC 1 1.665 4 4 0 -17.8385564270521 4436732 COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(C(=CC=C3)OC)OC)C(=O)CSC4=NC=CC=N4 1 3.502 4 4 0 -13.7008556148562 4436662 CN1CC2(CC=C(C(C2)(C1)[N+](=O)[O-])OC)[N+](=O)[O-] 1 0.486 3 5 0 -0.69782107690359 4436585 CC1=CC=C(C=C1)C2=NN=C3CCCCC3CC2 1 3.988 2 0 2.16254577658592 4436579 COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCOCC3 1 1.544 6 4 0 -1.06214524259738 4436515 CC1=NC=C(C2=C1OC(=NC3=CC(=CC=C3)F)C(=C2)C(=O)NC4=C(C=C(C=C4)OC)OC)CO 1 3.181 3 5 0 -5.24507666227287 4436510 COC1=CC=C(C=C1)C=NNC(=O)CNC(=O)COC2=CC=CC=C2 1 1.562 3 4 0 -12.9807585880571 4436450 CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC(F)F)OC)CCOC 1 3.15 4 5 0 -10.3558360094769 4436362 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C(=NC=C3CO)C)OC2=N 1 1.696 3 4 0 -9.35606349337553 4436165 CC1=CC=CC=C1C(=O)NC2=NC(=NC=C2)C3=CC=NC=C3 1 2.33 4 1 -4.17818339406111 4436164 CC1=NC(=CS1)CSC2=CC=C(C=C2)Br 1 3.635 1 0 2.29610376767794 4436119 CC(CO)N1CCS(=O)(=O)CC1 1 -0.426 1 3 0 -5.01630828743523 4436088 COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCC5CCCO5 1 3.8 4 4 0 -25.3614107335049 4436069 COC1=CC=CC=C1C(=O)NCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.46 3 4 0 -13.6582356086669 4436037 C1=CC(=CC=C1OCN2C=CC(=N2)C(=O)O)Br 1 2.901 2 3 -4.65897248360127 4435982 COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 5.22 2 5 0 -13.5518506279188 4435978 CC1=CC=C(C=C1)N2C=NC3=C(C2=O)SC4=NC(=C5CCCCC5=C34)N6CCOCC6 1 5.123 4 2 -10.5181103015586 4435931 CC1=C(N2C=CC=CC2=N1)P(=S)(N3CCCCC3)N4CCCCC4 1 2.857 4 0 -2.64151460198225 4435930 CC(C1=CC=CO1)N(C2=CC=CC=N2)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Cl 1 4.61 3 4 0 -9.49011586969393 4435859 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NS(=O)(=O)C2=C(C=CC(=C2)Br)OCC 1 3.213 2 5 0 -12.8831656913028 4435858 CCCCNC1=NN=C(CS1)C2=CC3=CC=CC=C3O2 1 4.071 3 1 0.528184991970061 4435812 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC(=CC=C3)OC)C4=CC=CO4 1 2.176 8 4 0 -22.485283590493 4435747 C1CN(CCC1CC2=CC=CC=C2)CC#CCOCCOCC3=CC=CC=C3 1 4.889 1 2 1.89477896444214 4435672 CCC(C(=O)NN1C(=O)C2C3CCC(C2C1=O)C3=C(C)C)OC4=C(C=CC(=C4)Cl)Cl 1 4.465 2 4 -9.40364638039417 4435646 CCN(CCO)C1=NC(=NC2=C1SC3=NC(=C4CCCC4=C23)C5=CC=CO5)SC 1 4.942 4 2 -1.62352433491779 4435623 CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C 1 2.875 3 4 0 -24.8087270083711 4435620 COC(=O)C1=C(CCS1)NC(=O)COC2=CC3=CC=CC=C3C=C2 1 1.929 1 4 0 -3.00515454985476 4435520 CCOC(=O)CSCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F 1 3.447 2 3 -11.3375662407522 4435505 C1CC(=NNC(=O)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC=CS3)NS(=O)(=O)C4=CC=CS4)CC(=O)C1 1 1.955 4 6 0 -12.5570111361131 4435457 CC1=C(C=C(C=C1)C(=O)NCC(=O)NN=CC2=CC=CS2)C 1 2.668 3 2 -13.6130145856391 4435446 CC(C)CN(CC(C)C)C=NC1=C(C2=C(S1)CCCCC2)C#N 1 5.226 3 0 -9.12044291891495 4435430 CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F 1 3.258 3 1 -3.55507776658017 4435429 CC1=CN2C(=C(C=N2)C3=CC=CC=C3)N=C1C4=CC(=C(C=C4)OC)F 1 4.243 3 1 3.28386497495528 4435408 CCN(CC)CCNC1=C2C(=C(SC2=NC(=N1)CC(=O)OC)C(=O)OCC)C 1 3.269 4 4 0 -19.5787273988661 4435403 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC(=O)OC)NCC3=CC=C(C=C3)F)C 1 4.222 3 4 0 -16.6104242637008 4435400 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC(=O)OC)NCC3=CC=C(C=C3)Cl)C 1 4.681 3 4 0 -15.5003025985793 4435389 C1=CC(=CC=C1C#N)OC2=NC=CN=C2 1 1.507 3 1 0 -1.83837116445234 4435366 CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NCC2CCCO2 1 3.283 2 2 -16.9106154660811 4435360 CCC(C)(C(=O)NC1=C(C=CC=C1C)C)NC=O 1 2.223 2 2 -7.33849504538193 4435262 C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC(=O)O)C4=CC(=CC=C4)Cl 1 3.935 1 3 -7.0098080819212 4435192 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=S)NC4=C(C=C(C=C4)Cl)Cl 1 6.297 3 0 0.648048446900187 4435179 C1=CC=C(C=C1)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C3=NC=NN3 1 3.929 4 0 -1.05487896375486 4435168 CC1=C(C(=O)N=C(N1)SC)CCOCC2=CC=CC=C2 1 2.637 2 2 -10.03163011685 4435104 CC1C(=CC2=CC=CC=C2O1)C=NNC(=O)C3=CC=CC=C3O 1 2.876 2 3 -0.910429762960035 4435004 CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=C(C=C3)F 1 3.955 3 1 -5.33615105021424 4434922 CCCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NCCC3=C(NC4=C3C=C(C=C4)C)C 1 5.318 2 2 -8.58810308747552 4434846 CC(C)OC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.797 3 2 -2.87254641363805 4434788 CC1=CC(=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)C 1 3.496 3 6 0 -8.10246982168955 4434677 C1CC(N(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)[N+](=O)[O-])C(=O)O 1 1.183 3 8 0 -18.7411035498577 4434647 CC(C)(C)C1=NN2C=NN=C2N(C1=O)N=CC3=CC=CC=C3 1 2.391 6 1 0 -5.02825341587405 4434210 CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)Cl)C(=O)OCC)C 1 4.251 2 2 -14.9109901983784 4434197 C1CCC(CC1)NC(=O)NN=CC2=CC=CC=C2 1 2.873 3 1 -7.27613687202855 4434175 CCOP(=O)(C(C(=O)N)NC(=O)NC1=CC=CC=C1)OCC 1 0.23 3 5 0 -9.96783137938414 4434163 C1CC(=O)N(C1)CCCNC(=O)COC(=O)C2=CC=C(C=C2)OC(F)F 1 1.266 2 5 0 -24.0538727314285 4434150 CC1=CC=C(C=C1)S(=O)(=O)N2CN(C3=NC4=CC=CC=C4N=C32)CC5CCCO5 1 3.254 4 3 0 -14.844006779942 4434048 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3 1 1.798 4 3 0 -25.0518024875162 4434008 CCC1=CC=CC=C1N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCC5=CC=CC=C54 1 3.874 3 4 0 -23.2979586640435 4433988 CC1=NN(C=C1CNC(=O)C2(CC2(Cl)Cl)C)C 1 1.301 3 1 0 -5.39794393369329 4433971 CCC1CCCC1=NNC(=O)C2=CC=C(C=C2)Cl 1 3.535 2 1 -4.3249086746101 4433827 CN1CCC2=C(C1)SC3=C2C(=NC(=N3)SC)SCC(=O)NCC4CCCO4 1 2.9 4 2 -22.3258671318414 4433818 COC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl 1 3.154 4 3 0 -5.34735711862364 4433809 CC1CCCN(C1)C(=O)CSC2=NC=CC=N2 1 1.616 3 1 0 -10.7908394089344 4433660 COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3 1 1.829 4 3 0 -5.28538706061258 4433550 CC1(CC(=CC(=O)C1)NNC(=O)OC(C)(C)C)C 1 1.521 2 3 0 -18.2732463221339 4433539 CN1C=C(C2=CC=CC=C21)SCC(=O)N 1 1.725 2 1 0 -6.12449620380133 4433503 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)NN=C3CCCC(=O)C3 1 2.593 3 4 0 -11.336575423814 4433439 CC1=CC=CN2C1=NC3=C(C2=O)C=C(S3)C(=O)NC4CCS(=O)(=O)C4 1 0.577 3 4 0 -24.3950917657065 4433437 C1CCN(C1)C(=O)CSC2=NN=C(O2)C3COC4=CC=CC=C4O3 1 1.712 3 4 0 -12.4453951965607 4433217 CC1CCCCC1NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.336 2 6 0 -12.9747199837087 4433136 CCOC1=CC=CC=C1NC2=NN=C(S2)SC(C)C(=O)NC3=NC(=CS3)C4=CC=CC=C4 1 4.697 5 2 0 -6.28561905507418 4433085 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=C(CCC(=O)O)C3=CC=CS3 1 2.931 3 3 -11.7077064964023 4433034 CC(C)CN(CC(C)C)C(=O)CN1C(=O)C2(CCCC3=CC=CC=C32)NC1=O 1 3.363 3 3 -10.7096648959186 4433033 CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3)OC)F 1 4.255 2 3 -19.0751979342711 4433026 C1CC(OC1)CNS(=O)(=O)C2=CC=CC=C2F 1 1.305 1 3 0 -11.1893208303956 4433016 CC1=NC2=C(C=NN2C(=C1)C(F)(F)F)C3=CC(=CC=C3)Br 1 4.023 3 0 -2.60294323896055 4433014 C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC=CO2)[N+](=O)[O-] 1 3.055 3 4 0 -9.64652604621214 4432972 CCCCN1C(=O)C(NC1=O)(C(F)(F)F)NC(=O)C2CC2 1 1.723 3 3 0 -8.57774559823298 4432959 C1=CC=C(C=C1)N2C=C(C=C(C2=O)C(=O)N)Cl 1 0.789 2 2 0 -6.65413731281224 4432931 COC1=CC=C(C=C1)CC(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 3.253 1 4 -5.4826327686638 4432904 COC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=C(O4)Br 1 2.414 3 5 0 -6.55291478819408 4432823 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NCCC3=CC=CC=C3 1 2.22 4 4 0 -24.4714319343776 4432753 CC1=NC=C(C2=C1OC(=NC3=CC(=CC=C3)OC)C(=C2)C(=O)NC4=CC=CC=C4OC)CO 1 2.976 3 5 0 -4.78431051785885 4432732 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)N=CN(C)C 1 3.052 2 2 3.1675585314517e-002 4432695 CN1C(=CC=N1)C(=O)OCC(=O)NC2=CC(=CC=C2)Cl 1 1.927 3 3 0 -10.6989145057012 4432641 CC1=NC=C(C2=C1OC(=NC3=CC(=C(C(=C3)OC)OC)OC)C(=C2)C(=O)NC4=CC=CC=C4OC)CO 1 2.943 3 7 0 -9.22671813173893 4432476 C1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCCl)CCCl)C4=CC=CC=C4 1 5.816 3 3 -11.3130530668676 4432442 CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC=C)C(=O)N(C1=O)C 1 2.392 3 3 -8.07517781457985 4432381 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=CN3C4=CC=CC=C4 1 2.73 5 3 0 -25.1551010473129 4432357 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=CC=CC=N3 1 1.687 3 4 0 -26.6444509967601 4432356 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC3=C(C=C2C#N)C(=O)CC(C3)(C)C)C 1 3.562 4 4 0 -30.0073768064918 4432310 C1COC(=CO1)C(=O)NC2=NC3=C(S2)C=C(C=C3)F 1 1.359 2 3 0 -2.59605674472113 4432232 C1=CSC(=C1)C(=O)CCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.283 2 4 -13.5878663014024 4432220 CC(C)C(C(=O)NCC(=O)OC)NC(=O)OCC1=CC=CC=C1 1 1.694 2 5 0 -20.808682503064 4432211 CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC4=C(C=C3)OCCO4 1 1.551 3 4 0 -23.3023077364706 4432181 CC1=CC(=CC=C1)NC(=S)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 6.34 2 2 -8.64634510163084 4432180 COC1=C(C=C(C=C1)NC(=O)COC(=O)CNC(=O)COC2=CC=CC=C2)OC 1 1.184 2 7 0 -18.5135379217673 4432169 C1=CC(=CC=C1OCC(=O)NC2=NC(=CS2)C3=CC=NC=C3)Cl 1 2.907 3 2 1.22823308992603 4432160 C1CC(=O)N(C1=O)CC(=O)NC2=CC=CC3=C2C(=O)NC3=O 1 -1.124 3 5 0 -15.7811067462781 4432018 CC1=C(C(=NN1C(C)C(=O)NN=C(C)C2=CC=C(C=C2)OCC(=O)N)C)[N+](=O)[O-] 1 0.809 6 5 0 -12.9546690755437 4431967 C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NN=C(S3)NC4=CC=CC=C4F 1 3.169 4 2 -8.24454003741715 4431891 C1=CC=C(C(=C1)OC2=NC(=NC=C2[N+](=O)[O-])N)F 1 2.024 4 3 0 0.586793741241389 4431886 CC(=O)NC1=CC2=C(C=C1)OCCOC3=C(C=C(C=C3)NC(=O)C)OCCOCCO2 1 1.341 2 7 0 -9.43031766623661 4431733 CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=CN2C3=CC=CC=C3 1 3.074 5 3 0 -11.9831908684205 4431423 C1CC(=NNC(=O)COC2=CC=C(C=C2)Cl)CC(=O)C1 1 1.906 2 3 0 -5.14154660288187 4431247 CC(=NNC(=O)COC1=CC=CC=C1C2=CC=CC=C2)C3=CN=CC=C3 1 2.867 3 2 -5.70461680604498 4431190 COC1=CC(=C(C=C1)C2CC(=NN2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC 1 4.086 2 4 -10.432503189727 4431146 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(N(N=C3C)C4=CC=CC=C4)C 1 2.645 6 1 0 -5.84170752230301 4431114 CC1=CC=CC=C1C2C(=C3N=C(C4=C(N3C5=C2C(=O)CCC5)SC6=C4CCCCC6)N)C#N 1 5.63 4 1 -23.3300727935486 4431095 CCCCCC(=O)NCC(C)NC(=O)CCCCC 1 3.014 2 2 -20.0958726619236 4431081 CC1=CC=C(C=C1)C2C3(C(NC(=S)N2)C4=CC=C(C=C4)C)C(=O)NC(=O)NC3=O 1 3.221 4 3 0 -5.95695244192689 4431057 COC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CCN5CCCC5C4)OC 1 3.677 5 3 0 -9.90931564643392 4431027 CC(=NNC(=O)C1=C(C=CC(=C1)Cl)O)C23CC4CC(C2)CC(C4)C3 1 3.967 2 2 4.58718054543615 4431001 CC1=C(C(=NN1C)C(=O)N2C(CC(=N2)C(F)F)(C(F)F)O)Br 1 1.853 4 2 0 -1.99338992514797 4430987 CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)Br)OC)C(=O)N(C)C 1 1.355 3 3 0 -24.8419711267651 4430890 COC1=CC(=CC(=C1)C(=O)NNC(=O)C(CCC(=O)N)NS(=O)(=O)C2=CC=C(C=C2)Cl)OC 1 0.824 4 7 0 -18.4307957337141 4430867 CC1=CC2=C(C=C1)OC(C(=O)N2)CC(=O)OC 1 1.196 1 4 0 -11.4155087683039 4430840 COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3CCCC3 1 2.347 4 4 0 -23.1483196617394 4430834 CC1=CC=C(C=C1)S(=O)(=O)CC2CSC3=NC=NC4=C3N2C=N4 1 2.557 4 2 -9.64769187609255 4430791 C1CCCN(CC1)C2=C(C(=NC(=N2)NCCO)N)[N+](=O)[O-] 1 1.13 6 3 0 1.0887237841643 4430789 CC1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)CN4CCOCC4 1 4.498 3 3 -5.69362285578321 4430754 CC1=CC(=NC2=NC(=NN12)SCC(=O)N(CC3=CC=CC=C3)C4CCS(=O)(=O)C4)C 1 2.225 5 3 0 -23.803030606788 4430687 CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)C3=C(SC(=C3)Cl)Cl 1 4.254 2 3 -18.5621589660748 4430653 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4 1 3.337 2 5 0 -18.4882177428866 4430627 CC(=NNC(=O)COC1=CC=C(C=C1)C(C)(C)C)C2=CC=CC=C2 1 3.899 2 2 -4.53305589864229 4430581 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C4C=CSC4=NC=N3 1 1.076 4 5 0 -22.7083984395093 4430463 CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=N4)Cl)Cl 1 6.051 4 1 -2.22231755210748 4430392 COC(=O)C1=C(C=CS1)NS(=O)(=O)C2=CC=CC=C2 1 2.126 1 4 -8.04265914613584 4430386 CC1CCCCN1CC(=O)C2=C(N(C(=O)N(C2=O)C)CC3=CC=CC=C3)N 1 1.755 4 3 0 -10.541440670314 4430384 CCOC(=O)NN1C(NC2=CC=CC=C2C1=O)C 1 1.192 3 3 0 -9.02902487855416 4430351 CC(C)(C)C(=O)NC1=NC2=C(S1)COC3=CC=CC=C32 1 3.255 2 2 -6.87588317766359 4430279 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC(=O)NCCC3=CC(=C(C=C3)OC)OC)C 1 1.366 4 5 0 -27.5958354562168 4430260 C1=CC(=CC(=C1)OCC2=CN3C=CC=NC3=N2)[N+](=O)[O-] 1 1.862 4 3 0 -5.73903504647978 4430225 COC1=C(C=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2NS(=O)(=O)C)[N+](=O)[O-])OC 1 1.475 4 7 0 -15.0603819904634 4430216 CC1CCCC(N1C(=O)CSC2=NC(=CC(=N2)N)C)C 1 2.127 4 1 -13.8534287671993 4430151 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC(=O)N3CCN(CC3)C4=CC=CC=C4F)C 1 1.535 5 3 0 -18.6013391232382 4430112 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=C(C=C3)F 1 2.895 3 3 -6.0178140462673 4430081 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NC4=NC=CS4 1 1.973 3 3 0 -8.91240300202675 4430062 C1CC(=NNC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C31 1 3.648 3 2 -4.92753295370967 4429890 CC1=C(NC2=C1C(=O)CC(C2)C3=C(C=CC(=C3)OC)OC)C(=O)OC(C)C 1 3.925 1 5 -13.1375030510818 4429863 COC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C(=S)N2NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 3.892 4 4 0 -8.13369823715722 4429607 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3CCS(=O)(=O)C3 1 0.934 2 5 0 -20.7527911971478 4429605 CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3)S1)C)C 1 3.352 3 5 0 -18.9260639102846 4429457 COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC 1 3.955 4 3 0 -10.0281708531187 4429383 COCCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 1 4.441 3 5 0 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CC1=CC=CC=C1CS(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCC3 1 3.516 1 4 -8.59712358480329 4428646 C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-] 1 1.163 4 7 0 -22.1817050717033 4428639 CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=C(C=C2)OC)N(C)C(=O)C3=CNC(=O)C=C3 1 2.583 3 4 0 -11.7411816575184 4428634 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC(=CC=C3)Cl 1 3.846 4 1 -12.9333704333222 4428616 CCN1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3C 1 2.625 2 4 -7.02953010155917 4428596 CC1=CC(=C(C=C1)C)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 4.104 3 3 -15.4111117726652 4428562 CCCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC(=CC=C3)OC 1 3.174 1 5 -12.7590693452662 4428496 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)OC 1 2.154 4 8 0 -31.1527365391517 4428441 C1=CC=C(C(=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F)Cl 1 4.716 2 3 -6.08481797571044 4428385 C1CC(OC1)CNC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 0.175 3 6 0 -18.147668922047 4428379 CCN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)N3CC(CC(C3)C)C 1 2.146 3 3 -11.5602197021562 4428362 CSC1=NCCN1C(=O)C23CC4CC(C2)CC(C4)C3 1 3.199 2 1 -4.60990641620256 4428289 C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)NC(=O)C4=CC=CC=C4Cl 1 3.355 3 3 -10.2270249358315 4428247 COCCNC(=O)CN1C(=O)C2(CCOC3=CC=CC=C32)NC1=O 1 -0.479 3 5 0 -14.3469328384051 4428165 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)NN=CC2=CC=CC=C2OC 1 0.843 4 5 0 -17.9538417014224 4428119 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=CC3=C(N=C(S3)N4CCOCC4)C5=CC=CC=C5 1 4.279 6 6 0 -2.22692741905595 4428105 COC1=CC=CC(=C1)NC(=O)CNC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCCC4 1 1.805 4 4 0 -27.4324947534381 4428104 C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CC(=O)NCC(=O)NC4=C(C=CC=C4F)F 1 2.233 4 3 0 -27.4405383442937 4428103 C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CC(=O)NCC(=O)NC4=CC=CC=C4F 1 2.027 4 3 0 -28.6310850859953 4428101 COC1=C(C=C(C=C1)NC(=O)CNC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCCC4)OC 1 1.789 4 5 0 -32.7063526880146 4428088 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4 1 3.198 3 5 0 -26.7131808533011 4428027 CC1CCC2=C(C1)SC(=N2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 2.414 3 3 -16.5635506178345 4427986 CCCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4 1 3.195 4 4 0 -15.4893289193171 4427936 CC1CN(CC(O1)C)C2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)OC)C5=CC=CC=C5 1 4.352 4 2 0.279797374918234 4427813 CC1CN(CC(O1)C)C(=O)C2=NN(C=C2[N+](=O)[O-])C 1 0.659 4 4 0 -12.9234946449934 4427812 CCOC(=O)C1=C(N(N=N1)CC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)OCC 1 4.243 5 5 0 -16.737952537377 4427800 CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NCC=C 1 3.041 5 1 -6.72714876891095 4427690 CC1=CC=C(C=C1)NC(=O)CSC2=NNC(=C2[N+](=O)[O-])C 1 2.517 4 3 0 -9.1450556290243 4427660 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4CSC5(N4C(=O)CC5)C 1 1.901 2 4 0 -12.1340114722499 4427599 C1=CC(=CC=C1NC(=O)NC2=NC=CN=C2)F 1 0.966 4 1 0 -2.66679002091109 4427562 CC1=C(C(=NN1)SCC(=O)NC2=CC(=CC=C2)O)[N+](=O)[O-] 1 1.789 4 4 0 -6.42499620020885 4427561 CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=C2[N+](=O)[O-])C)C 1 3.003 4 3 0 -9.39297044366441 4427557 CC1=CC(=C(C=C1)O)NC(=O)CSC2=NNC(=C2[N+](=O)[O-])C 1 2.275 4 4 0 -5.99835853891661 4427556 CCC1=CC=CC=C1NC(=O)CSC2=NNC(=C2[N+](=O)[O-])C 1 2.973 4 3 0 -11.0770607082143 4427553 CC1=C(C(=NN1)SCC(=O)NCC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 2.021 4 4 0 -13.2447888691842 4427550 CC1=C(C(=NN1)SCC(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-] 1 2.415 4 3 0 -13.8711627745032 4427507 COC1=C(C=C(C=C1)Cl)C(=O)OCC(=O)C2=CC=CN2 1 2.974 1 4 -5.86009615641177 4427404 CC(C1=CC=CC=C1)NC(=O)COC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.635 2 5 0 -16.8928240589823 4427401 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3)N 1 -0.479 4 6 0 -22.3730308582429 4427397 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C 1 0.405 3 5 0 -20.2754988741839 4427386 CN1C=C(C2=CC=CC=C21)CCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.38 2 3 -14.1723781763948 4427384 CCOC1=CC=C(C=C1)CNC(=O)CCC2=CN(C3=CC=CC=C32)C 1 3.944 2 2 -13.6563136000218 4427382 CC1=CC=C(C=C1)CNC(=O)CCC2=CN(C3=CC=CC=C32)C 1 4.098 2 1 -12.4771242391697 4427305 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2CCN(CC2)C3=CC=CC=C3F)N 1 2.229 6 3 0 -6.33722744662159 4427239 CCCNC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 4.945 2 1 -8.09221511759501 4427221 COC1=CC(=NC(=N1)NN=C(C2=CC=CC=C2)C3=CC=NC=C3)OC 1 3.093 5 2 0 -7.28291875779466 4427060 CC1=CC(=CC=C1)OCC(=O)NNC(=O)C2CCCCC2C(=O)O 1 1.839 2 5 0 -8.17428282933711 4426893 C1CC2=C(C(C(=C(O2)N)[N+](=O)[O-])C3=CC=CC=C3)C(=O)C1 1 1.688 2 4 0 -13.5926941129536 4426892 COC1=C(C(=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=CN=CC=C4)N)C#N)Br)O 1 2.994 5 3 0 -5.3194332288808 4426797 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(=O)C4=CC=CO4)CCCO 1 -3.4e-002 6 5 0 -14.8761655594591 4426760 CC(C)C(C)NC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-] 1 1.141 3 7 0 -24.1040942588827 4426756 CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(NN(C2=O)C3=CC=CC=C3)C 1 3.176 3 3 -6.91798766606635 4426724 CCOC(=O)N1CCN(CC1)C(=O)C2=NOC3=C2COC4=CC=CC=C43 1 1.882 3 5 0 -5.08503689434406 4426711 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)NCCN(C)C)N3CCCC3 1 2.773 4 3 0 -8.10938956136152 4426684 COC(=O)C1=C(C=CS1)NN=CC2=CC(=CC=C2)OC3=CC=CC=C3 1 4.817 2 3 -0.771727561310111 4426617 CC(C)NC(=O)C1=CC(=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)OC 1 2.085 3 5 0 -17.5518559457028 4426612 CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)C3=CC=CC=C3F)C 1 3.299 3 3 -7.38602010800135 4426611 CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C 1 3.078 3 4 0 -8.30115471502451 4426551 CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])S2)CC=C 1 3.85 3 5 0 -19.8035061792242 4426531 CC1=NC=C(C2=C1OC(=NC3=CC=CC(=C3)C(=O)N)C(=C2)C(=O)NC4=CC(=CC=C4)F)CO 1 2.216 4 4 0 -3.96825259742811 4426513 C1=CC=C(C(=C1)NC(=O)NCC2=CN=CC=C2)Cl 1 2.043 3 1 -8.23990560107404 4426406 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC4=C(C=C3)OCO4)C5=CC=CS5 1 2.518 8 4 0 -29.7215837896051 4426404 CC1=C(SC=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5 1 3.024 8 4 0 -24.6411838850426 4426325 C1=CC=C(C=C1)CC(=O)NC(C(Cl)(Cl)Cl)NC2=CC=CC=C2 1 4.327 2 1 -17.0563767610749 4426323 C1CCC(C1)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.935 2 2 -4.22995888034202 4426252 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC(C)C2=CC=CC=C2 1 2.1 1 4 -15.9753991394585 4426242 CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] 1 4.057 3 5 0 -5.40357413532841 4426206 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NN3 1 1.552 5 3 0 -24.5834268139738 4426203 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4)C 1 4.443 3 4 0 -14.2803335720679 4426189 CON=C(C1=CC=C(C=C1)[N+](=O)[O-])N 1 0.833 3 3 0 -0.325971902440772 4426072 C1C2=C(N=C(C3=C(N=C(C(=C23)C#N)N(CCO)CCO)N)N)N(C1=O)CC4=CC=CS4 1 -3.9e-002 7 3 0 -8.07278821553668 4426055 CC(=NNC(=O)C1=CC=C(C=C1)Cl)C2=CN=CC=C2 1 2.177 3 1 -5.8027917864593 4426017 CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4CC=CCC4C(=O)O 1 3.346 3 4 0 -5.74184033795015 4425951 CC(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N 1 3.192 3 1 1.42243714846604 4425890 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CNC4=CC=CC=C43 1 2.977 3 3 -19.9949045718645 4425766 C1=CC=C2C(=C1)C=CC(=N2)NN=CC3=CC(=CC=C3)F 1 3.742 3 0 7.25742208675434 4425668 CC(C(=O)NC(=O)NC)OC(=O)CCCC1=NC2=CC=CC=C2S1 1 2.025 3 4 0 -10.7527682982323 4425639 CC1(CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC=CC=C4)C(=O)C1)C 1 1.747 6 1 0 -23.6938251848758 4425630 C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 2.104 2 3 -14.6402220063749 4425567 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3 1 2.706 2 4 -11.6714548743131 4425543 C1C=CCC2C1C(=O)N(C2=O)CC(=O)NCC3=CC=CS3 1 0.818 2 3 0 -14.3688788062028 4425531 CCC(C)NC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2 1 2.92 6 2 0 -4.64029069658638 4425341 CC(C1=CC=CC=C1)NCC(COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)O 1 1.671 2 5 0 -16.3884485918106 4425338 CNC(=S)NN=CC1=CC2=C(C=C1)OCCO2 1 2.017 3 2 -9.66144318810319 4425333 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)CCSC2=CC=C(C=C2)Cl 1 2.626 2 3 -8.59136886865059 4425299 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)CCC(=O)O)C5=CC=CC=C5 1 5.491 4 3 0 -10.5378307899872 4425285 C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)CCl 1 3.423 1 1 -5.7805692478439 4425194 COC1=C(C=CC(=C1)C2CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)OCC(=O)O 1 4.63 2 4 -13.2885262866677 4425190 C1CC(OC1)CNC(=O)COC(=O)C2=C(N=CC=C2)Cl 1 0.826 2 4 0 -16.1333984028868 4425189 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN=C2CC(=O)CC(C2)(C)C 1 1.679 3 4 0 -22.810463267896 4425175 CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCCC2C(=O)N3CCOCC3 1 2.133 2 4 -9.88201479675276 4425122 CC1CCC2=C(C1)C=C(S2)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 4.166 3 3 -8.48007565431327 4425120 C1CCCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=C(O3)[N+](=O)[O-])N4CCCCCC4 1 3.735 8 3 0 -1.98748547584523 4425060 CCC(=O)NC1=NN=C(O1)C2=CC=C(C=C2)OC 1 1.441 3 3 0 -1.76463388759495 4425035 C1CC2CC1CC2=NNC(=O)C3=CC4=CC=CC=C4C=C3O 1 2.961 2 2 2.08985018231783 4425019 C1CCC(CC1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F 1 2.396 4 3 0 -26.7122288063312 4425006 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F 1 4.394 2 3 -8.94213756299604 4425002 CN(C)C1=CC(=C(C=C1)P(=O)(NC2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3)NC(=O)C4=CC=CS4 1 2.415 5 5 0 -10.9880348530915 4424917 CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.191 1 9 0 -12.8660666073087 4424916 C1CC(=NNC(=O)C2=CC=CC=C2Cl)C3=CC=CC=C31 1 3.653 2 1 -7.0814040005915 4424884 COC(=O)NN=C1CCC(CC1)C2=CC=CC=C2 1 2.671 2 2 -4.37256552204823 4424829 C1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC(=CC=C3)Cl)CC4=CC=CC=N4 1 4.42 4 2 -5.13994172195244 4424826 CCC(=O)NC1=CC(=C(C=C1)N2CCOCC2)S(=O)(=O)NC3=CC=C(C=C3)Cl 1 2.619 3 4 0 -4.13909883292995 4424734 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 1.079 4 6 0 -20.9459101570217 4424624 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=CC=CC=C2C#N 1 3.589 1 5 -12.341904602384 4424489 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CC3=CC=C(C=C3)F 1 2.821 1 5 -11.5238158234821 4424444 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN=C(CC3=CC=CC=C3)CC4=CC=CC=C4 1 4.595 4 3 0 -22.5839621403599 4424304 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 2.222 3 5 0 -23.6169990030486 4424281 CC1=CC=C(C=C1)C=NNC(=O)C(C)NC(=O)C2=CC=CC=C2 1 2.713 3 2 -12.6373453196581 4424228 CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC3=NS(=O)(=O)C4=CC=CC=C43 1 4.387 2 4 -18.5037364776067 4424226 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=S)NC(=O)C4=CC=C(C=C4)Br 1 5.115 3 1 -4.69616376430202 4424069 C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC(=O)O)C4=CC=C(C=C4)Cl 1 3.935 1 3 -6.16593573652459 4424067 CCOC(=O)NC1(C(=O)N(C(=O)N1)C2=CC=CC(=C2)C(F)(F)F)C(F)(F)F 1 3.148 3 4 0 -1.46690730604793 4424061 COC(=O)C1=NN(C2=C1C(=O)N(C2=O)C3=CC=C(C=C3)Br)C45CC6CC(C4)CC(C6)C5 1 4.555 3 4 0 -6.44221340846274 4423969 C1=CC(=CC(=C1)Cl)N2C(=O)NC3=CC(=C(C=C3N2O)Cl)Cl 1 3.989 3 2 1.96154395622143 4423867 CC1=CC=CC2=C1N=C(C=C2C(=O)N3CCCCC3)C4=CC=CC=C4 1 4.78 2 1 -4.02339979635106 4423811 CCC1(NC2=CC=CC=C2C(=O)ON1)C 1 1.386 2 2 0 -3.36000333233421 4423780 CC(=O)OC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)OC)OC 1 2.958 2 7 0 -16.8173133212795 4423761 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NC(C)CCCC(C)C 1 4.985 3 2 -23.4426737417293 4423757 CCCNC(=O)CN1C(=O)C2(CCCC3=C2C=CC(=C3)OC)NC1=O 1 1.63 3 4 0 -11.3423872955548 4423730 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CN=C4N(C3=O)CCS4 1 1.688 4 2 0 -8.91790387469824 4423705 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C 1 3.056 2 5 0 -15.3642560535171 4423633 CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 6.272 2 5 0 -6.63299459184285 4423590 CCC1(NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OCC)C 1 3.532 2 2 -5.42446013857886 4423353 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4 1 3.675 5 3 0 -13.8971792487586 4423328 CC1=CC=CC=C1C(=O)NN=C(C)C2=CN=CC=C2 1 1.999 3 1 0 -10.5500476424145 4423280 C1CN(CCC12OCCO2)C(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Cl 1 1.648 3 4 0 -6.52616323791215 4423258 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NN=NN3C 1 1.835 5 2 0 -18.7490316659902 4423228 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)COC2=CC=C(C=C2)C 1 1.861 3 5 0 -11.7222071432786 4423016 COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.243 2 7 0 -15.9248018389662 4423012 CCOC(=O)CSC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 2.718 3 3 -24.740213933827 4423007 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=C(C=C3)OC 1 1.414 3 6 0 -20.1745684386447 4422990 C1CN(CCC1C(=O)N)C2=C(N=C(O2)C3=CC=CC=C3)C#N 1 1.72 4 2 0 -1.33106456786055 4422974 CC1=CC(=CC(=C1)NC2=NC(=O)C(S2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC)C 1 4.17 3 4 0 -20.0481175503805 4422973 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)F 1 1.165 3 6 0 -26.1904184365003 4422972 CC(C)C(C(=O)NCC1CCCO1)NC(=O)C2=CC=C(C=C2)Cl 1 2.448 2 3 -22.1438291990154 4422829 CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C 1 3.042 7 1 0 -19.0755388220672 4422794 CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=C(C=C3)Cl 1 5.141 2 4 -5.34488199917343 4422788 CCCCC(=O)C1=C(CC(CC1=O)(C)C)NCCCCCC(=O)O 1 3.082 1 4 -19.2025622775954 4422741 COC1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC)OC 1 2.73 1 8 0 -16.8816669720718 4422714 C1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)NNC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 4.412 4 4 0 -11.4582201848036 4422712 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=C(C=C2)C)C)C3=CC=CC=N3 1 4.947 2 2 -4.72375004664215 4422695 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCOCC3 1 1.238 2 7 0 -17.9639252891443 4422681 CC1=C(C=C2C(=O)C3=CC=CC=C3OC2=N1)C(=O)NCC=C 1 2.46 2 3 -9.96166337389207 4422678 CCC1(C2(C3=C4C(=C(NC4=C(C=C3)C)C)CCN2C(=O)O1)C)C 1 3.964 2 2 -5.19968642209942 4422601 CC(C)OC1=CC=CC=C1C=C2C(=O)N(C(=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)O)S2)CCCOC 1 3.281 3 6 0 -11.9766964014735 4422588 CC1=NOC2=C1C(=NC=N2)SC3=CC=C(C=C3)Br 1 3.592 3 1 0.389187529344161 4422572 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CNC(=O)C=C3 1 1.114 3 4 0 -16.7814822486917 4422562 CC(C1CC2CCC1C2)NC(=O)COC(=O)C3=C(C=CC(=C3)Cl)O 1 3.409 1 4 -4.56320967052697 4422550 CCOC1=C(C=CC(=C1)C=NNC2=CC=CC=C2Cl)OCC(=O)O 1 3.91 2 4 -9.82912153459423 4422501 CCN1CCN(CC1)C(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl 1 1.889 4 2 0 -3.09676245270901 4422533 CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 2.131 4 4 0 -28.0765436095387 4422455 COC1=CC=C(C=C1)C(CCNCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)F 1 5.168 1 3 -5.01533386358141 4422341 C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CC(=O)NC4=CC(=CC=C4)Cl 1 4.612 3 2 -2.45935306573337 4422334 CC1=CC=C(O1)C(=O)NN=CC2=CC3=C(C=C2)OCO3 1 1.992 2 4 0 -5.22480831949253 4422325 C1COCCN1CCNC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl 1 1.204 4 3 0 -9.2562243455412 4422323 CCCCN(C)C(=O)CN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl 1 2.912 3 2 -5.7457577189204 4422264 CCC1=CC=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)C4C3C4 1 2.567 1 3 -5.54889011395645 4422234 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=COCCO3 1 1.958 2 3 0 -1.08264988676903 4422173 CCC(=O)C1=CNC(=C1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F 1 3.355 2 2 -5.06309490629058 4422169 CCC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)F)OC)OC 1 3.738 1 4 -14.4572895330938 4422147 CCN(CC)C(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)SC(=S)N2C4=CC=CC=C4OC 1 5.939 4 3 0 -23.2338860632534 4422137 CCOC(=O)N1CCC(=NNC2=NC3=CC=CC=C3S2)CC1 1 2.183 4 2 -1.80021317440565 4422109 C1=CC=C(C=C1)C(C(=O)O)NC(=O)C2=CC=CC=C2 1 2.238 1 3 -13.8752236137187 4422025 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.662 5 3 0 -19.4518880119064 4421960 CC(C1=CC=C(C=C1)OCCN(C)C2=CC=CC=N2)O 1 2.785 2 2 -3.74156495025962 4421869 CC1=CC=CC(=C1)C=NN(CCO)C2=NS(=O)(=O)C3=CC=CC=C32 1 2.417 3 3 0.580486135157917 4421842 CC(C)C1=C2COC(CC2=C3C4=C(C(=NC(=N4)SC)NCC5=CC=CO5)SC3=N1)(C)C 1 5.166 4 2 -12.3437704016064 4421690 CCOC1=CC=C(C=C1)C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O 1 3.469 4 5 0 -11.5020928400233 4421643 CC1=CC=C(C=C1)C(=O)ON=CC2=C(N(C3=CC=CC=C32)C)Cl 1 4.588 2 2 1.47046731471741 4421633 CC1(CC2(NC3=CC=CC=C3N2C(=S)N1)C)C 1 3.288 3 0 -2.97795833607793 4421447 C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)SCC3=CN4C=C(C=CC4=N3)Cl 1 3.526 5 2 0 -2.65284770593868 4421379 CC1=NN(C(=C1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)OC3=CC=CC=C3)C 1 3.927 3 3 -0.72621833555271 4421377 CC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2C(F)(F)F)C)SCC3=CC=C(C=C3)Cl)C 1 6.522 3 1 -4.06208608793558 4421284 C1COCCN1CCC2=CN3C(=C(C=N3)C4=CC=CC=C4)N=C2C5=CC=C(C=C5)F 1 3.856 4 1 4.53888214194293 4421191 C1CSC2=NC(C(=O)N21)(C(F)(F)F)NC(=O)C3=CC=CC=C3F 1 2.791 3 2 -10.2629432705187 4421157 CC1=NN(C(=C1C(=O)NCC(=O)NCC2=CC=CC=C2)Cl)C 1 1.072 4 2 0 -14.8729402688783 4421152 CC(C)CC(=O)C1=CNC(=C1)C(=O)NCC2CCCO2 1 1.896 2 3 0 -11.3662935835752 4421133 CC1=CC(=C2C(=C1)C(=CC(=N2)N3C(=CC(=N3)C)N)C)C 1 3.901 4 0 -0.225937615596104 4421035 COC1=C(C=C(C=C1)CCN=C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3)OC 1 4.321 2 4 -11.2969050249704 4420825 CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OCC)OCC)OCC 1 6.115 1 8 0 -22.4042516601298 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CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC=CC(=C4)C 1 5.313 4 0 -1.80488208837824 4417244 CCCCC1=CC(=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2C)C 1 3.365 1 3 -11.0674155320768 4417215 CC(=NNC(=O)COC1=C(C=C(C=C1OC)Br)Br)CC(=O)NC2=CC=CC=C2OC 1 3.254 3 5 0 -6.6571013629316 4417186 CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.674 2 4 -14.6053756767319 4417164 CC(C)CN1C(=O)N(C(CC1(C)C)(C)O)C2=CC=C(C=C2)Cl 1 3.47 2 2 -1.5595328798805 4417116 C1=CC=C(C=C1)CSC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N 1 2.851 2 3 -7.31879602592651 4417074 CC1=C(C(=CC=C1)C)NC(=S)NN=C(C)C2=CC=C(C=C2)OC(F)F 1 5.844 3 1 -5.7902503222096 4417073 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN=C(C)CC2=CC=C(C=C2)OC 1 3.669 2 5 0 -13.3577059515391 4417008 CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN 1 3.329 3 2 -2.58221392803093 4416981 C1C(OC2=CC=CC=C2O1)C3=NN4C(=NN=C4S3)COC5=CC=CC=C5 1 2.986 4 3 0 -2.78972356629906 4416927 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(O3)CNC(=O)C4=CC=CC=C4F 1 2.851 4 3 0 -26.3837180379008 4416918 C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.727 3 1 -3.73710544641552 4416866 CC1(CC(CCO1)(CCN=CC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3)C 1 4.64 2 1 -14.1149976592224 4416803 COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-] 1 2.415 4 5 0 -5.46577358610198 4416734 CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C1=CC=CC=C1C)OCC 1 3.332 1 4 -14.5774180406949 4416609 C1CC2CC1CC2C(=O)NC3=NC=C(C=C3)[N+](=O)[O-] 1 2.035 3 3 -3.14652863592997 4416605 CC1(CC(N(C(=S)N1)C)(C)C2=C(C=C(C=C2)O)O)C 1 2.99 2 2 -0.377381249025591 4416491 C=CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCN3CCCC3=O 1 1.683 4 3 0 -29.222346958959 4416490 COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NCC4=CC=CO4 1 2.767 2 4 -5.90122315105598 4416470 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC4=CC=CC=C4F 1 1.31 3 6 0 -19.7123750867096 4416460 COC1=CC(=C(C(=C1)Cl)NC2=CC(=O)C(=O)C3=CC=CC=C32)OC 1 3.469 1 4 5.98656243970322e-002 4416310 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=NS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 4.703 3 5 0 -8.20501782864042 4416256 CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2)OC)OC 1 3.274 1 5 -14.1118281950076 4416228 CC1=CC(=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C)F)C 1 4.305 3 1 -2.95864388779092 4416225 COC1=C(C=C2C(=C1)C(CNC2=O)NC(=O)C(F)(F)F)OC 1 1.068 2 4 0 -11.2080309944999 4416213 CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4 1 1.772 6 4 0 -17.7243059457069 4416208 C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3 1 1.862 4 3 0 -22.8694837236605 4416194 CC(C)N(C)C(=O)C(=O)C1=CC=CN1C2=C(C(=CC=C2)Cl)C#N 1 3.566 3 2 -5.4079691692189 4416188 CC1=CC(=C(C=C1)N)C(=O)C2=CC=C(C=C2)Br 1 3.722 1 1 3.1806376132986 4416111 CC(C=NNC(=O)CNC1=CC=C(C=C1)OC)C2=CC=CC=C2 1 2.717 3 2 -10.689001965802 4416036 CCOC1=C(C=C(C=C1)Br)C2C3=C(C=C(C=C3)N(C)C)OC(=C2C(=O)OC)N 1 4.081 2 4 -10.4929128950773 4415984 C1COCCN1NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 0.998 3 4 0 -10.5504774396509 4415978 COC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C#N)C(=O)CCC3 1 1.848 2 3 0 -14.8906159839501 4415958 CCC1(CC(=NN1C(=O)C2=CC=CC=C2F)C3=CC=CC=C3)O 1 3.261 2 2 -0.631246736532907 4415951 CC(C1=C(C=CC(=C1)Cl)O)NC2=CC=CC=C2 1 4.022 1 1 3.37057924616855 4415927 CC1=CC(=NN1C2=NN=C(N=N2)NC34CC5CC(C3)CC(C5)C4)C 1 2.814 7 0 0 -3.72988125202697 4415900 CCOP(=O)(C(C1=CC=CC=C1)NC2=CC=CC=N2)OCC 1 2.821 2 3 -6.60304090092272 4415898 CCOP(=O)(C(C1=CC=CO1)NC2=CC=C(C=C2)C)OCC 1 3.32 1 4 -8.65013926839038 4415897 CCOP(=O)(C(C1=CC=CO1)NC2=CC=C(C=C2)OC)OCC 1 2.817 1 5 -8.99206252889947 4415869 CC1=C(C=C(C=C1)N(CC(=O)NCC2CCCO2)S(=O)(=O)C3=CC=C(C=C3)Cl)C 1 3.579 2 4 -19.3882018453092 4415661 C1CN(CCC12OCCO2)C(=O)CN3C(=O)COC4=CC=CC=C43 1 0.156 2 5 0 -11.3290881903798 4415633 CSC1=NCCN1C(=O)CC2=CC=C(C=C2)Cl 1 3.007 2 1 -5.59767958242997 4415632 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)NC3CCCC3 1 1.685 4 6 0 -28.3639256997942 4415603 COC1=CC=CC=C1NCCC(=O)OCC(=O)NC2CCCCCC2 1 2.951 2 4 -14.7431510754622 4415549 COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4 1 2.633 3 5 0 -15.6076338212766 4415536 CCNC(=S)NNC(=O)C1=CSC2=C1CCCC2 1 2.813 3 1 -11.4918261937227 4415535 CCNC(=S)NNC(=O)C1=NOC(=C1)C 1 0.796 4 2 0 -14.7177263108919 4415534 CCNC(=S)NNC(=O)C1=CSC2=C1CCC(C2)C 1 3.065 3 1 -13.1850126478261 4415508 CC1=C(SC(=C1C(C2=CC(=CC=C2)OC)NC3=CC=CC=N3)NC(=O)C4=CC=CO4)C 1 4.804 3 3 -7.2069304042928 4415493 CC1=CC=C(C=C1)CSC2=NCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 3.495 3 3 -16.3950469150808 4415448 CCNC(=S)NNC(=O)C1=CSC(=C1)C 1 1.576 3 1 0 -11.2528879753538 4415447 CCC1=CC(=CS1)C(=O)NNC(=S)NCC 1 2.242 3 1 -11.7724438710467 4415445 CC1CN(CC(O1)C)C(=O)C2(CC2(Cl)Cl)C 1 1.434 1 2 0 -7.79476374720805 4415430 CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCCC3 1 3.972 1 4 -6.4857572657061 4415371 CCN1C=CC(=N1)C(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O 1 0.558 4 4 0 -13.9902118415218 4415331 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 2.088 3 5 0 -21.9806184863862 4415310 C1CN(CCC12OCCO2)C(=O)CCNC(=O)CN3C=NC4=CC=CC=C4C3=O 1 -0.406 4 5 0 -22.7124007321158 4415189 CCOC1=CC=C(C=C1)N2C3=C(C(=O)N=C(N3)SCC(=O)CC(=O)OCC)SC2=S 1 4.509 3 5 0 -16.4303627796795 4415120 COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC4=C(C=C3)OCO4 1 2.077 2 5 0 -13.0651944347605 4415053 CC(C)C1=NC(=NN1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br 1 3.322 5 3 0 -11.7599946388813 4415017 CC(C)CC(=O)NC(=S)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-] 1 2.278 4 4 0 -13.2387198951376 4414982 CC1=C(C=C(C=C1)Cl)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=N3 1 4.735 4 1 -7.69283982867431 4414979 C1C2C=CC1C3C2C(=O)N(C3=O)CNC(=O)NC4=CN=CC=C4 1 -0.293 4 3 0 -5.41125487584323 4414978 C1C2C=CC1C3C2C(=O)N(C3=O)CNC(=O)NC4=CC=CC=C4O 1 0.615 3 4 0 -2.80662120435608 4414924 CCOC(=O)C1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C 1 4.464 2 3 -9.23466806302778 4414923 C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=CC(=N3)[N+](=O)[O-])C(F)(F)F 1 4.55 5 2 0 3.12809621434252 4414893 CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C4=CC=CC=C4F 1 3.808 4 1 9.68547715056632 4414872 COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=O)C3=CC4=CC=CC=C4OC3=O 1 2.322 2 6 0 -18.5328942590188 4414784 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2CCCCC2 1 3.262 2 5 0 -17.8164652586966 4414779 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NCCC3=CC=CC=C3 1 2.643 3 2 -20.4704391330315 4414752 CC1=C(C(N2C(=C(SC2=N1)C#N)N)C3=CC=C(C=C3)OC)C(=O)OC 1 1.83 4 3 0 -22.1453023588839 4414654 CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C43)CC5=CC(=O)NC(=O)N5 1 2.811 6 3 0 -24.9257469649972 4414644 COC1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3)OC 1 4.734 1 4 -8.96706312974846 4414641 CC(C)C(C(=O)NC1=CC=C(C=C1)OC)Br 1 2.938 1 2 -6.30705367745999 4414626 C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=S)NC(=O)C4=CC=CS4 1 4.781 3 1 -6.39255324970098 4414625 CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC)C 1 2.759 1 4 -4.4842452759783 4414584 CCOC1=CC=C(C=C1)C(=O)N(C2CCCCC2)C3=CC=CC=N3 1 4.399 2 2 -6.95885836661694 4414556 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=CS3)[N+](=O)[O-] 1 2.874 4 4 0 -15.7873766712995 4414550 C1CC2=NC(=CN2C3=C1C=CC4=C3N=CC=C4)C5=CC=CC=C5 1 4.218 3 0 3.20621478876201 4414546 COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=CC=C3 1 4.536 2 5 0 -15.9033621927993 4414444 C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)OC(F)F 1 4.064 2 6 0 -12.3893079492945 4414442 C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=CC=C(C=C4)C(=O)N 1 2.675 2 2 -9.85521714099585 4414429 CC(=C)CNC(=S)NN=C1CCCCC2=CC=CC=C21 1 4.513 3 0 -13.4489185088705 4414404 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)OC 1 2.487 4 4 0 -15.8620266765674 4414298 C1=CC=C(C=C1)CC(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4Cl 1 4.412 4 3 0 -23.8439175630579 4414227 C1CC2CC1C3C2SC4=C(C3C5=CC=C(C=C5)O)SC(=O)N4 1 3.803 1 2 -2.75880434065928 4414226 C1CCC(CC1)N=C(C2=CC=CC=C2F)NS(=O)(=O)C3=CC=CC=C3 1 4.513 2 2 -5.9026959667616 4413995 C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)CNC(=O)C3=CC=CC=C3 1 3.719 1 4 -16.4008228039395 4413994 CC1=C(N2C=CC=CC2=N1)C(=O)NN=C(C)C3=CC=CC=C3F 1 2.32 4 1 -8.24379650888203 4413991 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)CO3)CC(=O)O 1 -0.115 2 6 0 -20.8730864342581 4413989 CC1=C(C=C(C=C1)C(=O)O)N2CCCC2=O 1 1.527 1 3 0 -9.84801937485741 4413970 CN1C=C(C2=CC=CC=C21)C=NNC3=CC=CC=C3 1 3.948 3 0 3.86878682464963 4413964 CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=NN(C=C2Cl)C 1 3.503 5 1 -3.32204506993429 4413840 CC1=NN=C2N1N=C(C=C2)OCC=C 1 1.253 4 1 0 -9.97128639827223 4413839 COC1=CC=CC(=C1OC)C(C2C3=CC=CC=C3C(=O)O2)O 1 2.507 0 5 -3.71870704196329 4413719 C1C2=C(N(N=C2CS1(=O)=O)C3=CC=CC=C3)NC(=O)C4=CC=CS4 1 2.42 3 3 -7.12442735424557 4413684 CC(C)NC(=S)NN=C(C)C1=CC=C(S1)Cl 1 3.35 3 0 -8.10366514652659 4413666 CCN(CC)C(=O)C1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC(=CC=C3)Br 1 4.207 5 4 0 -11.3690676757964 4413657 COP(=O)(C(C1=CC=CC=C1)NC(=O)NC2=CC=CC=C2)OC 1 2.043 2 4 -9.02955273573887 4413531 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=C(C=C(C=C2)SC)OC 1 2.451 2 5 0 -9.98167855701961 4413470 C1CCC2=[N+](C3=C(C(C4=CC=CC=C43)O)N=C2C1)[O-] 1 1.658 2 2 0 -3.12378072289692 4413344 CC1=NC=C(C2=C1OC(=NC3=CC=CC(=C3)C(=O)O)C(=C2)C(=O)NC4=C(C=C(C=C4)OC)OC)COC(=O)C 1 2.985 3 8 0 -10.298912972667 4413334 C1=CC(=CC(=C1)[N+](=O)[O-])N2C=C3C=CC(=CC3=N2)[N+](=O)[O-] 1 3.182 4 4 0 5.49731220702813 4413292 CCC(CC)NC(=O)COC(=O)C1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C(=O)C)OC)OC 1 3.793 1 7 0 -19.3839153274726 4413203 CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C=C(C)C)Cl 1 3.407 2 3 -3.51914626386254 4413149 CC1=C(C=C(C=C1)Cl)NC(=O)CCCN2C(=O)C3=C(C2=O)N=CC=C3 1 2.496 3 3 -7.31436086303435 4413062 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)NN=CC3=CC=C(C=C3)Cl 1 1.985 4 4 0 -24.5072860705726 4412973 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NNC3=NS(=O)(=O)C4=CC=CC=C43 1 0.725 4 4 0 -10.8979745366929 4412949 CC1=C(C=CC(=C1)NC(=O)CCCN2C(=O)C3=C(C2=O)N=CC=C3)Br 1 2.58 3 3 -7.59094512126463 4412852 CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NC4=CC=CC=C4N3C 1 3.605 4 2 -8.06096605012428 4412829 CCC1=NN=C(S1)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2Cl 1 3.067 4 2 -22.8401036268768 4412828 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)COC3=CC=C(C=C3)C#N 1 1.993 4 5 0 -20.2165913652263 4412765 C1CC2=C(C(N3C(=O)C(=CC4=CN=CC=C4)SC3=N2)C5=CC=C(C=C5)Cl)C(=O)C1 1 3.855 3 2 -18.1169847592284 4412731 CC1=CC(=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)CC(C)C)C 1 3.15 3 3 -11.3240408379628 4412719 C1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)NN=C3 1 2.293 3 1 -6.54332278596285 4412666 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=CC=C3C(=O)O 1 1.117 3 6 0 -22.5205954470838 4412637 CC(=O)N1CCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)OCC(=O)N4CCOCC4 1 -0.349 2 6 0 -15.9691325727333 4412631 CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCCCC3)Br 1 2.013 2 3 -16.4133648093268 4412598 CCCCCCC1C(CCC1=NNC(=O)C2=CC=CC=C2)C(=O)OC 1 4.105 2 3 -8.12338123044079 4412551 C1=CC=NC(=C1)SCC(=O)NC2=NC(=CC=C2)NC(=O)CSC3=CC=CC=N3 1 2.89 5 2 0 -9.09662466393564 4412498 C1COCCN1C(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl 1 1.616 4 2 0 -2.13722635994582 4412492 CCCCNC(=O)C1CCN(CC1)S(=O)(=O)N2CCOCC2 1 -0.343 3 4 0 -20.2947759102637 4412491 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NC(C)C)N3CCOCC3 1 3.68 4 1 -11.9044168206119 4412488 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)NN=C3CC(=O)CC(C3)(C)C 1 3.237 3 2 -9.61315475954415 4412485 C1=CC=C(C=C1)CC(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4 1 3.748 4 3 0 -23.5548840558864 4412319 C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-] 1 3.644 2 6 0 -16.2039802579461 4412278 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)C)C 1 2.577 3 6 0 -30.1086052079529 4412258 CC1=CC=C(C=C1)CCNC(=O)CC(C)CC2=NS(=O)(=O)C3=CC=CC=C3N2 1 3.054 3 3 -13.9439546743627 4412232 CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C(C)C 1 2.276 2 2 -13.3762928207405 4412190 CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CSC=C3)CCOC 1 2.342 4 3 0 -11.2663133678734 4412166 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4C5=CC=C(C=C5)F)SCC6=CC=C(C=C6)F 1 5.93 4 1 -15.0678345470084 4412156 CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=NNC(=O)CC4 1 3.29 3 4 0 -18.4854396553458 4412075 CN1CCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3 1 3.389 4 0 9.19746090306339 4412067 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NNC(=O)C4=CC=C(C=C4)Cl 1 3.282 4 4 0 -15.6807553210503 4412013 CCOC1=CC=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.88 4 6 0 -29.8211253576294 4411961 CC1CCCCN1CCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4 1 3.343 3 3 -4.86891734884461 4411958 C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCCC3=CC=C(C=C3)Cl 1 4.019 3 2 -13.32389104725 4411955 CC1=CC=C(S1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC 1 1.208 2 7 0 -26.4173705462306 4411953 CCN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)CC3=CC=CC=C3 1 2.113 3 3 -14.076530908267 4411851 CSCCC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=C(C=C4)Cl 1 3.126 2 5 0 -22.1833438631348 4411845 COC1=CC=C(C=C1)C2N3CCCN3C(=S)N2C4=CC=C(C=C4)OC 1 4.164 3 2 -3.81371340527373 4411622 CCOC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)N(C)C 1 2.977 4 3 0 -10.8269610995453 4411619 COC1=C(C=C(C=C1)CCNC(=O)CCC2=CC=CC=C2O)OC 1 3.158 1 4 -14.0384879782672 4411590 CCOC(=O)C1=C(C2=C(S1)N=C(S2)NC(=O)C3=CC=CS3)C 1 3.899 2 3 -11.6466414421687 4411557 C1CN(CCN1C(=O)CNS(=O)(=O)C2=CC=C(S2)Br)C(=O)C3=CC=CO3 1 0.637 3 5 0 -11.7184200931377 4411541 CCCCCN1C2=CC=CC=C2N=C1C(CC3=CC=CC=C3)NC(=O)COC 1 4.433 3 2 -9.72357881853837 4411540 CCCCCN1C2=CC=CC=C2N=C1C(CC3=CC=CC=C3)NC(=O)C 1 4.697 3 1 -6.75523713119428 4411535 CCCN1C2=CC=CC=C2N=C1C(CC3=CC=CC=C3)NC(=O)COC 1 3.521 3 2 -8.21264138898086 4411508 CCCN1CNC(=S)N(C1)C2=CC=CC=C2C 1 4.146 3 0 -4.54259792291658 4411497 CC1=CC=C(C=C1)C2CC2C(=O)NN 1 1.204 2 1 0 -2.78216175334797 4411373 COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NNC(=N3)N 1 1.693 6 2 0 -7.50246511811797 4411342 CS(=O)(=O)OC1=CC=C(C=C1)C=NNC(=O)C2=CC=NC=C2 1 1.091 3 4 0 -11.7033676316833 4411329 CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=CC=CC=C43)C 1 5.796 3 1 -6.53440992274744 4411311 C1CC(CC=C1)C=NNC(=O)CNC2=CC=CC=C2F 1 2.459 3 1 -7.76728453591228 4411162 CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCC(=O)OC)[N+](=O)[O-] 1 2.259 2 6 0 -26.0552180342524 4411130 CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=NNC(=O)C=C2 1 2.104 3 2 -9.06394560507982 4411105 C1C=CCC2C1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 -0.517 3 7 0 -15.6808613414199 4411088 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=C(N=CC=C4)Cl 1 1.765 4 4 0 -16.8504492475501 4411059 CC1=C(C=CC(=C1)Br)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)C5=CC=CC=N5)C 1 5.628 6 1 0 -8.30563614391641 4410962 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)OC 1 4.272 2 3 -4.46829068086402 4410945 COC1=CC=CC=C1N2C=C3C(=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-] 1 3.165 4 5 0 -0.67117978359516 4410795 C1CN(CCN1C(=O)CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.021 2 3 -22.386373351965 4410730 CN(CCOC1=CC=CC=C1)CC(COCC2=CC=CC=C2F)O 1 3.099 1 3 -0.918538524605794 4410488 CC1=CC(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)C(F)F 1 0.151 8 4 0 -30.3547964384104 4410458 CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 3.387 3 5 0 -17.1134191338217 4410429 CC1=CC=CC2=NC(=C(N12)NC3=CC=C(C=C3)OC)C4=CC=CO4 1 4.267 3 2 1.8731871386923 4410397 CC(C)(C)SC(C1=CC=C(C=C1)Br)C(=O)N2CCOCC2 1 3.147 1 2 -7.66875387228183 4410388 CC1=CC(=C(C(=C1)C)NC(=O)NC(=O)C2=CC=CC=C2OC)C 1 3.836 2 3 -5.00402284577401 4410369 C1CN(CCN1C(=O)CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.564 2 3 -22.7329114319449 4410342 CC1CCCC(N1C(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3)C 1 3.143 2 5 0 -25.3778182595466 4410320 C1=CC=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3C(=O)C2=O 1 1.84 2 3 0 -5.99299517203578 4410264 CC1=C(C(=CC=C1)NC(=O)COC2=CC=C(C=C2)C3=NC(=C(N3O)C(=O)C)C)C 1 1.422 3 4 0 -3.42480208804998 4410256 CC1=C(N(C(=N1)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)Cl)OC)O)C(=O)C 1 1.098 3 5 0 -6.43545220612072 4410218 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=CC=C3 1 2.279 3 4 0 -17.9751514287177 4410051 CCCCCCCC(=O)N1C(C(=O)NC2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.56 3 5 0 -25.6932505371405 4410007 C1CC(C1)C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.633 2 4 0 -12.8117246199997 4410000 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C 1 4.079 2 6 0 -22.8841799209735 4409907 CCCCC(CC)C(=O)OC1=CC(=C(C=C1)O)C(C)(C)C 1 5.71 0 3 -1.85156750851039 4409897 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4)C 1 4.041 2 7 0 -15.3183519296408 4409836 CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC3=NC(=NC(=N3)N4CCCC4)N5CCCC5 1 3.663 8 0 0 -2.27445066942136 4409791 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NC2CCCC3=CC=CC=C23 1 2.837 4 2 -16.6283658883753 4409736 CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=CC4=CC=CC=C4O3 1 5.038 2 4 -6.75625581288357 4409724 COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)N4CCOCC4 1 2.038 3 5 0 -28.6712256643161 4409558 C1=CC=C(C=C1)C2(C(=O)NC(=N2)NCC(=O)NCC3=CC=C(C=C3)F)C4=CC=CC=C4 1 3.214 4 2 -10.9951003831015 4409549 CC1C2C3=CC=CC=C3OC1(N(C(=O)N2)CC4=CC=CC=C4)C 1 3.138 2 2 -3.3447156577727 4409454 CCC(=NNC(=O)C1=CC=CC=C1OCC2=CC=C(C=C2)F)CC 1 4.096 2 2 -5.58645033987379 4409453 CC1CCCC(N1C(=O)CSC2=NC3=CC=CC=C3S2)C 1 3.935 2 1 -10.5591963154199 4409406 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-] 1 0.537 4 7 0 -23.4005133768709 4409405 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4 1 1.607 5 3 0 -20.9743998632056 4409404 CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C)[N+](=O)[O-] 1 2.99 3 5 0 -9.24455450038416 4409284 CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)[N+](=O)[O-])OCC 1 4.605 3 5 0 -20.2876710310027 4409242 CC1=NN(C2=C1C(N3C4=CC=CC=C4NC(=O)C3=N2)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6 1 3.987 6 3 0 -11.0810988110378 4409196 CC1=C(SC=C1)C(=O)NNC(=O)C2CC=CCC2C(=O)O 1 1.513 2 4 0 -9.5377742893541 4409182 CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NCC3CCCO3 1 2.313 4 2 -18.7909549973879 4409170 CCNC1=NC2=NN=C(N2C(=N1)NCC)SC(C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)Cl)Cl 1 5.294 8 1 0 -15.4924577700077 4409128 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4 1 2.776 3 3 -20.1671043338128 4408903 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4CC=CCC4C3=O 1 1.222 3 5 0 -11.121722843334 4408902 CN(CCO)C1=C(C(=C(C(=N1)N)C#N)CC#N)C#N 1 0.305 6 1 0 -4.43721526422483 4408848 CC(C)C1=NC(=NN1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC 1 1.467 5 5 0 -26.305785354494 4408609 CC(C)(C)C(=O)C(=C1N(C(=O)C(=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)S1)C5=CC=C(C=C5)F)C#N 1 6.306 5 2 0 2.25799297898018 4408563 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC(=C(C=C3OC)OC)OC 1 2.841 1 7 0 -24.2675344100104 4408544 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4 1 2.16 4 4 0 -23.9722959904468 4408518 CC1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=N3 1 3.068 4 0 3.18348138277315 4408413 C1CCC2(C1)C3CCCC3(OC4=C2C=CC(=C4)O)C5=C(C=C(C=C5)O)O 1 4.905 0 4 3.81272800878599 4408227 CC(C)C1C(=O)NC(=S)N1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.823 2 3 -9.01303402683331 4408226 CC1=CC(=C(C(=C1C)S(=O)(=O)N2C(C(=O)NC2=S)C(C)C)C)C 1 4.368 2 3 -9.15078208186324 4408153 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(O3)C4=CC=C(C=C4)Cl 1 2.28 4 4 0 -9.1932914546102 4428857 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC2=NC3=CC=CC=C3N=C2N4CCOCC4 1 1.339 5 5 0 -12.7225687349873 4407971 CC1=CC(=C(C(=C1C)S(=O)(=O)N2C(C(=O)NC2=S)CC(C)C)C)C 1 4.756 2 3 -15.1261536955769 4407925 CN(C)C1=NC(=NC(=N1)NN=CC2=CC=CC=C2Cl)NCC3=CC=CC=C3 1 3.616 7 0 0 -3.06448875180035 4407896 CCCCC12CN3CCN(C1)CC(C3)C2=NNC(=O)NC4=CC=CC=C4 1 2.47 5 1 -7.34348818026294 4407881 C1CCC(CC1)NC2=C(N=C3N2C=CC=N3)C4=CC=C(O4)Br 1 4.301 4 1 -2.95484028121959 4407879 C1CCCC(CC1)NC(=O)C2=CC=CNC2=S 1 2.252 2 1 -8.91164809422128 4407764 COC1=C(C=C(C=C1)C(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)Cl)OC 1 3.479 3 3 -11.4250260363271 4407750 CCC(C)(C(=O)NC1CCCC1)N(CC2=CC=CS2)C(=O)C3=CC4=C(C=C3)OCO4 1 4.117 2 4 -18.2594247119391 4407656 CC1=C(C2=CC=CC=C2N1)CCNC3=C(C(=O)CC(C3)C4=CC=CC=C4)C(=O)C 1 3.709 2 2 -5.38020117935709 4407630 CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C(=O)NC5=CC(=C(C=C5)OC)Cl 1 5.041 6 2 0 -6.62416517746903 4407506 CC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)N(C)C 1 1.985 4 2 0 -10.1356857936885 4407502 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=CO3)NC(=O)C4=CC=C(C=C4)Br 1 3.636 3 3 -11.8338920633927 4407498 CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)C3=CC=CC=C3NC2(C)C 1 1.993 3 3 0 -7.23910748514553 4407278 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CC=CC=C3F 1 3.047 2 5 0 -23.5738066117105 4407190 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)COC3=CC=CC4=C3CCN(C4=O)C 1 2.856 2 5 0 -19.4753375410459 4407082 CC1=C(C(C(=C(O1)N)C#N)C2=CSC=C2)C(=O)OC 1 1.276 2 3 0 -12.8821373929492 4406952 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 2.821 3 4 0 -11.3798269185522 4406946 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC(C(Cl)(Cl)Cl)NC3=CC=CC=C3F 1 3.085 3 4 0 -15.329125362177 4406824 C1=CC=C(C=C1)CNC(=O)C(CCC(=O)N)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.607 3 4 0 -18.0646260473643 4406635 CC1=C(C2=C(N1)C3=CC=CC=C3C=C2)C4C(C4(C)C)CCN 1 3.65 2 0 3.61835002334024 4406528 CC1=CC(=NC(=N1)NN=CC2=C(N(C(=C2)C)CC(F)(F)F)C)C 1 2.717 5 0 -5.51472156346787 4406525 CN1CCN(CC1)C2=CC3=CC(=C(C#N)C#N)CCC3CC2 1 2.37 4 0 1.27663255358409 4406476 CC1=CC=C(C=C1)S(=O)(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=N4 1 2.96 4 3 0 -8.42596704226426 4406475 CC1=CC=C(C=C1)S(=O)(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=CO4 1 3.077 3 4 0 -11.3685162225094 4406474 CC1=CC=C(C=C1)S(=O)(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)O 1 3.435 3 4 0 -6.32297868942663 4406472 CC1=CC=C(C=C1)S(=O)(=O)NN2C(NC3=CC=CC=C3C2=O)C4=C(C=C(C=C4)OC)OC 1 3.644 3 5 0 -9.60704234165609 4406471 CC1=CC=C(C=C1)S(=O)(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4F 1 3.882 3 3 -8.60048811531762 4406469 CC1=CC=C(C=C1)S(=O)(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC 1 3.66 3 4 0 -7.79932716149051 4406468 CC1=CC=C(C=C1)S(=O)(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4O 1 3.435 3 4 0 -5.08890945557796 4406467 CC1=CC=C(C=C1)S(=O)(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)OC 1 3.644 3 5 0 -11.8731185880546 4406466 CC1=CC=C(C=C1)S(=O)(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4 1 3.677 3 3 -8.00712763361901 4406465 C1CCC2(C1)NC3=CC=CC=C3C(=O)N2NS(=O)(=O)C4=CC=CC=C4 1 2.441 3 3 -8.01080610111479 4406364 COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4OC3=O)OC(=C2[N+](=O)[O-])N 1 2.415 2 6 0 -7.96178566445051 4406328 C1COC2(C3=CC=CC=C3N(C2=O)CN4CCN(CC4)CC5=CC=CC=C5)OC1 1 2.449 3 3 -4.20239400444615 4406324 COC(=O)C1CCCN1C(C2=CC=C(C=C2)Cl)C(=O)NC3CCCCC3 1 3.925 2 3 -8.60425129826391 4406263 CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC5=C(C=C4)OCO5 1 3.464 8 4 0 -24.6913293876294 4406231 CC1(NC2=CC=CC=C2C(=O)N1NS(=O)(=O)C3=CC=CC=C3)C 1 1.507 3 3 0 -8.30353012139409 4406229 CN(C)C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2NS(=O)(=O)C4=CC=CC=C4 1 3.353 4 3 0 -11.1120699672076 4406067 CN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 2.975 3 5 0 -15.7367347437766 4406022 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)N4C=CN=C4 1 2.804 5 4 0 -14.9590732447153 4405937 C1CCC(CC1)N2C3CS(=O)(=O)CC3CC2=O 1 0.777 1 3 0 -7.76504929027339 4405855 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CN3C=NC(=N3)[N+](=O)[O-] 1 1.61 8 4 0 -19.5031396997682 4405647 C1=CC=C(C=C1)NC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N 1 1.812 6 3 0 -2.84924229207678 4405583 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(=O)C5=CC=CC=C5 1 3.122 3 3 -5.11838642647538 4405511 CC1CCCN(C1)CCCNS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4 1 3.085 3 3 -16.0925708827121 4405484 C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=NC5=C(S4)C=C(C(=C5F)F)F 1 4.455 2 3 -2.71552188402666 4405466 CC1=CC(=CC=C1)NC(=O)C23CCC(C2Br)(C3(C)C)C 1 3.994 1 1 -2.1329432558779 4405424 CCCCNC(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CC4=CC=CO4)OCO3 1 3.158 3 5 0 -23.5701843957459 4405420 CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)NC3=CN=C(C=C3)OC)[N+](=O)[O-] 1 2.269 4 5 0 -6.83562465734385 4405388 C1CCC(C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4)CC5=CC=CS5)O3 1 1.257 2 3 0 -4.42328946938727 4405177 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CS3 1 2.602 2 3 -18.3106955121595 4405130 C1CC(=O)N(C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 2.456 2 2 -14.8618983719961 4404982 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=S)N 1 2.804 3 2 -7.85941091283523 4404908 CCCSC1=NN2CCCC(=O)N=C2S1 1 2.995 3 1 -10.5853380779307 4404795 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=C(C)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.027 4 3 0 -9.53493489568052 4404673 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 3.536 3 4 0 -20.5752285977409 4404616 CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C 1 3.574 2 4 -9.9249736366661 4404530 C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=NN=C(S3)C(F)(F)F)C#N 1 2.501 6 2 0 -16.8517925108373 4404563 COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=C(C=CC=C3F)F 1 3.529 3 4 0 -6.61524303759171 4404424 CC1=CC(=C(C(=C1)C)NC(=S)N2CCCC2C(=O)O)C 1 4.584 2 2 -9.23630668066251 4404404 CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.951 4 4 0 -13.9792590714954 4404389 CCCCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NCCC3=C(NC4=CC=CC=C43)C 1 5.288 2 2 -9.588849073145 4404336 CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NN)C4=CC=CC=C4 1 2.997 5 1 -5.25798771503066 4404285 CC(C)C(C)NC(=O)COC1=CC=C(C=C1)SC2=CC=C(C=C2)OCC(=O)NC(C)C(C)C 1 5.173 2 4 -5.64518359561204 4404202 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=C(SC(=C3)Cl)Cl 1 3.035 3 2 0.108294896258403 4404097 CCN(CC)C1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2C#N)S(=O)(=O)NC3=CC=C(C=C3)OC 1 3.66 4 5 0 -11.47676200567 4403790 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)NN=CC4=CC=CC=C4F 1 5.529 4 0 9.54628283519989 4403745 C1CCC(=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)C1 1 4.29 3 1 -7.37610831157225 4403593 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=C(C=C3)F)C(=O)C4CC4 1 3.031 2 2 -17.401709455149 4403572 CN(CC1=NC(=O)C2=CC=CC=C2N1)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC 1 1.317 5 4 0 -6.27681276330983 4403483 CC(=NNC1=CC=CC(=C1)C(=O)O)C2=CC3=C(C=C2)SC4=CC=CC=C4N3 1 4.897 3 2 -4.17383925572692 4403404 CCN(CC)CC(C)CNC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CC(CC(C3)C)C)C 1 4.139 3 4 0 -12.9668221135115 4403355 CCOC(=O)N1CCN(CC1)C(C2=CN=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O 1 2.518 4 3 0 -6.16898492869837 4403279 C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C=NNC(=O)C3=CC(=CC(=C3)O)O 1 2.274 2 5 0 1.15737386676493 4403215 CC1=CC(=CC=C1)NC(=O)C(=O)C2C3=CC=CC=C3NC2=O 1 1.942 2 3 0 -7.61856024798077 4403205 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NCCCN2C=CN=C2 1 1.919 5 2 0 -14.9955345293581 4403007 CC(=NNC(=O)C1=CC(=CC=C1)Br)C2CC3CCC2C3 1 3.54 2 1 -3.02129600446833 4402996 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C 1 0.796 2 5 0 0.911647539702214 4402959 CCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CO 1 1.215 4 3 0 -2.64071832459391 4402867 CC(=NNC(=O)C1=CC=NC=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl 1 2.962 4 2 -7.89390479922242 4402854 CC1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-] 1 3.437 2 4 -13.1376916379853 4402849 CC1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)N(CCOC)CCOC)[N+](=O)[O-] 1 3.488 2 5 0 -15.0186989547859 4402823 CC(C1CC2CCC1C2)NC(=O)C3=CC(=CC=C3)Cl 1 3.944 1 1 -4.82063193537376 4402817 C1=CC=C(C=C1)S(=O)(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4O 1 2.949 3 4 0 -6.15333209182652 4402816 CC1NC2=CC=CC=C2C(=O)N1NS(=O)(=O)C3=CC=CC=C3 1 1.568 3 3 0 -9.31413374621642 4402814 CN(C)C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2NS(=O)(=O)C 1 1.776 4 3 0 -11.0225690088326 4402813 CCOC(=O)NN1C(=O)C2=CC=CC=C2NC13CCCC3 1 2.066 3 3 -7.63950162311333 4402812 CCOC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC(=CC=C3)O 1 2.573 3 4 0 -7.10229245801294 4402811 CCOC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3O 1 2.573 3 4 0 -5.86822322416426 4402734 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])N5CCCCC5 1 4.508 8 3 0 -1.17713896330393 4402703 CC(C)OC(=O)C(C1=C(C2=CC=CC=C2C(=C1)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)O)C(=O)C(F)(F)F 1 5.303 1 6 0 -6.13320442334994 4402615 CN1C=C(C(=N1)C(=O)OCC(=O)C2=CC=CC=C2)Cl 1 2.684 2 3 -9.71745957496217 4402608 C1=CC=C(C=C1)CCNC(=O)C2=CN=C3N(C2=O)C=CS3 1 0.954 3 2 0 -15.6791266401734 4402549 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCCC(C3)C(=O)NC(C)(C)C)Br 1 2.509 3 4 0 -23.9752428372468 4402518 C1CCN(C(C1)C2=CN=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.22 3 4 0 -8.25087086006421 4402452 COC1=CC=C(C=C1)C2NC(=S)N3N2C(=S)NC3C4=CC=C(C=C4)OC 1 4.55 4 2 -1.62652398292333 4402430 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Cl 1 2.145 3 5 0 -8.34286081812024 4402411 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.696 1 5 0 -7.35284659399162 4402290 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCCC)OCC)C 1 4.136 4 4 0 -5.784058014829 4402286 CCCOC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC(=CC(=C2)OC)OC)OCCC 1 3.353 2 6 0 -18.7896464837703 4402267 COC1=CC=C(C=C1)C(=O)ON=C(C2=CC=CC=C2)C3=CC=NC=C3 1 3.622 2 3 -1.09300473596085 4402209 CCNC1=NC(=NC(=N1)N2CC(=O)N(C2=N)CC(=O)OCC)NC(C)C 1 0.365 8 3 0 -17.2100223538311 4402160 CC(C)(C)N1C(=NN=N1)C(C2=CN=CC=C2)N3CCN(CC3)C4=CC=CC=N4 1 1.924 8 0 0 -11.8675237254081 4402151 CC(C)N(C(C)C1=CC=CC=N1)C(=S)NC2=CC(=CC=C2)SC 1 5.448 3 0 -4.04391739512166 4402150 CCC1=CC=C(C=C1)NC(=O)N(CCN(C)C)C(C)C2=CN=CC=C2 1 3.043 4 1 -6.75752196506697 4402133 CC1=NC2=C(C=C(C=C2)Br)C(=C1)NN=CC3=CC=C(C=C3)OC 1 4.649 3 1 6.59199256344062 4402103 C1=CC=C(C=C1)S(=O)(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)O 1 2.949 3 4 0 -7.38740132567519 4402099 C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3)C#N 1 2.678 4 2 -14.3643191046058 4401872 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)CN2C(=O)C3CCCCC3C2=O 1 2.424 3 5 0 -8.09844487452783 4401845 CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3)C(=O)N1CC4=CC=CO4 1 1.857 3 3 0 -13.2263120300352 4401824 CC1=C(C=C(C=C1)C(=NNC(=O)C2=C(OC(=C2)C)C)C)[N+](=O)[O-] 1 2.439 3 4 0 -12.0376839512269 4401768 C1=CC=C(C=C1)C(C(C(=O)O)N)C(F)F 1 -1.357 1 2 0 -4.96481242059399 4401730 CC1CCCCN1C(=O)CSC2=NN=C(O2)C3=C(OC=C3)C 1 2.022 3 3 -16.7093542628448 4401715 CN1C=CN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.112 4 4 0 -22.9668352228249 4401703 C1=CC=C(C=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 4.141 1 2 0.946689446516965 4401628 CN1C=CC=C1C=NNC(=O)C(C2=CC=CC=C2)O 1 1.656 3 2 0 -11.2319492150869 4401555 CCCC(=NNC(=O)C1=CC=CC=C1Cl)C2=CC=CC=C2 1 4.451 2 1 -9.97136988860296 4401549 C1CCC(CC1)C=NNC2=NC3=CC=CC=C3N2 1 3.223 4 0 2.68997256463118 4401548 CCCCC(CC(C)O)C(=O)NNC(=S)NCC=C 1 2.478 3 2 -14.270708779329 4401411 CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC(=C)C)NCCCN(C)C)C#N 1 4.704 5 0 -11.8254769790944 4401389 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)CNC(=O)C3=CC4=C(C=C3)OCO4 1 2.427 5 4 0 -24.7467818449853 4401357 C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)N(C=N3)C4CCCC4 1 3.279 4 1 -11.9843320727859 4401326 CC1=CC(=C(C=C1)C)NCC(C2=CC=CC=C2)O 1 3.683 1 1 1.33809349670372 4401304 CC1=CC(=[N+](N1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)[O-])C 1 1.029 2 4 0 -4.84353275020955 4401276 CC1=C(C=C[N+](=C1)C)CC2C(=CN=C3N2N=C[N-]3)[N+](=O)[O-] 1 1.221 6 2 0 -2.43658163340053 4401185 COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4CCCO4)NC2=S 1 3.276 3 4 0 -17.7019203291022 4401026 COC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3=CC=CS3 1 2.576 3 4 0 -18.7532734254683 4400958 CC(=O)N1CCC2=CC(=C(C=C2C1C3=C(C=CC(=C3)Br)O)OC)OC 1 3.323 1 4 -7.99629408523616 4400836 CCN(CC)CC(C)OC(=O)C1=CC=CC=C1Cl 1 3.563 1 2 -5.90938812906887 4400817 CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2N3C(=O)C4C5CCC(C5)C4C3=O 1 4.049 1 4 -8.77475206167198 4400797 CC1(CC(=NNC2=NC3=CC=CC=C3S2)CC(=O)C1)C 1 2.618 3 1 -0.973947047202933 4400793 C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CSC=C4)C#N)N 1 3.432 2 1 -4.27809490712253 4400742 CC(C)(C)NC(=O)COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2OC)OC 1 2.263 2 7 0 -24.9088266696295 4400709 C1=CC=NC(=C1)C(C2=CC=CC=N2)(C3=CC=CC=N3)O 1 2.111 3 1 -1.38907863636728 4400696 CC(C1=CC=CC=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.381 2 2 -13.4837683541469 4400694 CC1CCCC(N1CC(C)OC(=O)C2=CC=C(C=C2)Cl)C 1 4.538 1 2 -6.61140701928599 4400590 CCC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)C 1 3.243 3 3 -6.06011272982477 4400557 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C 1 1.802 4 6 0 -24.1214785373637 4400520 CC1CCC(CC1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.979 3 2 -10.8336548060505 4400441 CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)NC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-])N 1 2.797 6 4 0 1.00982974686188 4400416 CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-] 1 1.815 4 7 0 -7.65482659339282 4400406 COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3COC4=CC=CC=C4O3)F 1 3.178 2 6 0 -9.03178354894171 4400342 CN(C)CCCNC(=O)C1=CC(=CN1)C(=O)C2=C(C(=CC=C2)Cl)Cl 1 3.357 3 2 -4.33432664395698 4400341 CCOC(=O)C1C(N=C(NC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(C)C 1 4.003 2 3 -7.77791150170273 4400331 CC(C)CC(C(=O)OCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=CC=C2 1 1.802 3 6 0 -24.450663122897 4400179 CC1CN(CC(O1)C)C2=C(C(=O)N(N=C2)CC(=O)OC)Cl 1 0.19 3 4 0 -11.9637759509284 4400168 CS(=O)(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCNS(=O)(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C 1 -0.316 4 8 0 -15.5599589530652 4400155 CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CC2=CC=C(C=C2)Cl 1 3.411 1 4 -9.66629586623529 4399897 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=NN3C 1 0.151 6 4 0 -36.0369490167456 4399896 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3 1 1.693 2 7 0 -20.0788523545652 4399864 CC(=O)NC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3 1 2.651 4 4 0 -10.8651268486184 4399863 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCC5=CC=CC=C5 1 3.283 4 3 0 -20.3448084774228 4399857 COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3OC)F 1 3.282 2 5 0 -9.17218903128513 4399856 COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=C(C=C3)OC 1 3.282 2 5 0 -6.98090364721367 4399766 C1C=CCC2C1C(=O)N(C2=O)CC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F 1 2.22 3 3 -1.90046122969311 4399710 COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=NC=C5 1 5.837 5 2 0 -6.26337267268652 4399645 COC1=C(C(=NC=C1)OC2=CC=CC=C2)C(=O)N=CNOCC3=CC=CC=C3 1 3.365 3 4 0 -2.36912980883747 4399620 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 3.445 2 6 0 -20.0805305728305 4399594 CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=CS2 1 3.043 1 4 -12.0324869473778 4399591 C1CCC(C1)N2C(=O)C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 1.262 4 6 0 -12.7117118408513 4399590 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CSC3(N2C(=O)CC3)C)S(=O)(=O)N4CCOCC4 1 -8.3e-002 3 7 0 -23.5077698428105 4399556 C1CC2=C(C=C(C(=O)N2C3=CC=C(C=C3)Cl)C(=O)NCCCN4CCOCC4)C(=O)C1 1 1.747 3 4 0 -19.5271027783405 4399554 CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(C2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.266 4 4 0 -29.1266294718779 4399414 C1CN2C(CC3=C(C2=O)C=NC4=NC=NN34)C5=CC=CC=C51 1 1.558 5 1 0 -9.90608323573022 4399412 COC1=CC=C(C=C1)CCCC2=NN=C(O2)SCC(=O)NN 1 1.505 4 3 0 -15.7014301729315 4399381 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=NC=CN=C3N 1 0.275 5 5 0 -25.2855991613291 4399361 CC1=CC=CC=C1NC(=S)N(CCN(C)C)C(C)C2=CN=CC=C2 1 4.483 4 0 -11.0433762688747 4399352 C1CCC(CC1)N(CCC2=CC=NC=C2)C(=O)NC3=CC=CC=C3 1 3.764 3 1 -3.20572290432807 4399342 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2)C(=O)CSC3=NN=C(S3)C 1 1.424 4 3 0 -29.8317917364675 4399308 CC1=CC(=C(C=C1)C)OCC(=O)NC(CC(=O)O)C2=CC(=C(C=C2)OC)OC 1 3.154 1 6 0 -13.7000584499534 4399241 CN1CCC(=NNC(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C)CC1 1 0.811 4 3 0 -10.4491842969803 4399212 CC1=NN=C(C(N1O)C2=CNC3=CC=CC=C32)C4=CC=CC=C4 1 2.971 4 1 1.04561701805341e-002 4399140 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC(=S)N(C)C)C)C 1 3.957 2 1 -8.91014558114395 4399139 CCN1C2=C(C=C(C=C2)C(=NO)C)C3=CC=CC=C31 1 3.685 2 1 7.04770256686977 4399091 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=CC=C3OC)C4=NOC(=C4)C)O 1 2.625 2 6 0 -16.8661283103882 4398966 C1CCC(CC1)N2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)N5C=CC=CC5=N3 1 3.499 4 3 0 -23.2220235642824 4398822 CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CNC(=O)C3=CC=CO3 1 2.867 4 3 0 -14.4400967662241 4398680 C1=CC=C(C(=C1)NC(=S)N(CCC#N)CC2=CN=CC=C2)Cl 1 4.124 4 0 -11.8187061430327 4398653 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=CC=CC=C4C=C3O 1 2.928 3 2 1.59046082747084 4398637 CC(CC(=O)NCC1=CC=C(C=C1)F)CC(=O)NC2=C(C=C(C=C2)OC)OC 1 2.838 2 4 -15.0136408970151 4398603 CC1(CC(CCO1)N2C(=O)C3=CC=CC=C3N=C2SCC=C)C 1 3.277 2 2 -20.6658124323984 4398493 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)OC)S(=O)(=O)NCC5CCCO5 1 4.13 4 5 0 -19.2973515338283 4398474 C1CCC(CC1)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCN5CCOCC5)C(=O)NC6=CC=C(C=C6)Br 1 1.736 4 5 0 -4.69858125655436 4398404 CC1=CC2=C(C=C1)NC(=C2NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)O 1 3.209 3 5 0 -6.4519732670898 4398403 COC1=CC=C(C=C1)C2N(C(=O)CS2)NC3=C(C=C(C=N3)Cl)Cl 1 3.962 3 2 -4.19151795950836 4398374 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCCCC4 1 4.734 2 2 -5.49203865715613 4398325 C1CCN(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 -0.176 4 5 0 -19.6148927609343 4398251 CC(C(=O)NN=CC1=CC=CO1)SC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=CC5=CC=CC=C54 1 5.138 6 2 0 -10.5472797336896 4398246 CC1=CC=CC=C1OCC(=O)NNC(=O)OC 1 1.172 2 4 0 -9.11509514444823 4398230 CC(=O)N=C1N(C=CS1)CC(C2=CC=C(C=C2)Br)O 1 1.868 2 2 0 -8.81957722922436 4397974 C1=CC=C2C(=C1)C(C(=O)N2)C(=O)C(=O)NCC3=CC=CC=N3 1 0.528 3 3 0 -14.3047185703499 4397749 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)N 1 1.76 5 3 0 -25.1936459235783 4397727 CC1=NC2=C(C(=NN2C(=C1)SCC(=O)C)C)C3=CC=CC=C3 1 2.849 3 1 -6.86996181730387 4397610 C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC=N4 1 2.166 2 3 -12.0307285128471 4397597 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC(=CC=C2)C)C3=CC=CC4=C3N=CC=C4 1 4.387 4 3 0 -14.2519004535335 4397500 CC1(CC2=C(C(N3C(=O)C(=CC4=CC(=C(C=C4)F)F)SC3=N2)C5=CC=C(C=C5)F)C(=O)C1)C 1 5.416 2 2 -19.9873612295192 4397382 CC1=CC(=C(C=C1)OCC(=O)NN=C(C)CC(=O)NC2CCCCC2)Br 1 3.306 3 3 -9.04742304084756 4397191 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 1.77 3 8 0 -20.4696595339558 4397142 CC1=CC(=CC=C1)NC(=O)CSC2=C(C(=NS2)SCC(=O)NC3=CC=CC(=C3)C)C#N 1 4.713 4 2 -12.1478815883199 4397060 CC1=NC(=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)[N+](=O)[O-] 1 1.484 4 7 0 -22.356312550291 4396986 CN(C1CCCCC1)C(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 2.186 4 2 -15.4314881747396 4396983 C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.68 3 6 0 -7.28868538354979 4396896 CCN1C(=O)C(SC1=NC2=CC=C(C=C2)S(=O)(=O)N)CC(=O)NC3=C(C=CC=C3C)C 1 3.134 4 4 0 -14.7329185075798 4396888 CC1CCCC(N1N=CC2=CC=CC=C2C(=O)O)C 1 2.865 2 2 -3.83177734016484 4396830 COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=C(C=C4)C#N 1 2.815 5 3 0 -13.8039468962319 4396771 CN(C)CCCNC1=NC(=C(C(=N1)NC2=CC=CC=C2OC)[N+](=O)[O-])N 1 1.232 7 3 0 -4.65706483951129e-002 4396702 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)CNC(=O)C3=CC(=CC=C3)F 1 3.775 2 5 0 -21.658213797476 4396662 CC1=CC(=O)N=C(N1)NN=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)OC)C 1 2.43 5 3 0 -15.1312935106985 4396659 CCCC1=NC2=CC=CC=C2N1C(=S)SC 1 4.819 2 0 0.786675035040598 4396341 CCCCCCC1CC(=O)NC(=S)N1 1 2.907 2 1 -8.77271657505124 4396316 CC(=O)NC1=NN(C(S1)(C)C2=CC=C(C=C2)Br)C(=O)C 1 2.284 3 2 -8.23708826927489 4396281 CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC 1 3.594 3 3 -24.6427857365241 4396152 CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C4=CC=CO4 1 1.758 6 3 0 -17.5090992383122 4396139 CC(=O)NC1=C(C=C(C=C1)N(C)C)[N+](=O)[O-] 1 1.006 3 3 0 -8.47350111597511 4396137 CC(=O)NN=C1N(C2=CC=CC=C2S1)C 1 1.534 3 1 0 -5.39991027039017 4396061 C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CSC3=NNC(=N3)N 1 2.644 5 2 0 -8.97366001661347 4396058 CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCCC3=CC=CC=C3 1 2.42 2 5 0 -22.3845954927394 4395995 CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC=CC=C3)N4CCOCC4 1 3.493 2 2 -14.9319112897069 4395985 COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.551 4 5 0 -11.383805884072 4395947 COC1=CC=C(C=C1)CC(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br 1 3.505 4 2 -12.9824038499679 4395925 CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)C 1 1.797 2 6 0 -28.2614622603302 4395718 CC(=O)OC1C(OC2=CC(=CC(=C2C1=O)O)OC(=O)C)C3=CC(=C(C=C3)OC(=O)C)OC(=O)C 1 1.887 0 11 0 -6.33023688364251 4395625 C1OC2=C(O1)C=C(C=C2)C=NNC3=NC(=CS3)C4=CC=C(C=C4)Cl 1 4.188 3 2 4.63298810305868 4395503 C1=CC=C(C=C1)C2=NNC(S2)C3=CC(=CC=C3)F 1 3.819 2 0 -0.551637576434423 4395462 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C=C(C3=O)C#N)C(=O)C4=C(C=CC(=C4)Cl)O 1 2.177 4 4 0 -9.69452780213997 4395446 CC(C)(C)NC(=S)NNC(=O)C1=CC=CC=C1Cl 1 3.015 3 1 -12.8756279126798 4395445 CC(C)SC1=NN=C(S1)NC(=O)C2CC2 1 1.991 3 1 0 -11.6118662796957 4395434 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)C)C 1 3.028 4 4 0 -23.1639536168395 4395430 CC1(C(=O)N(C(=O)N1)CC(=O)NC2CCCCC2)C3=CC=CC=C3Br 1 2.742 3 3 -8.91307557668306 4395425 CS(=O)(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3F 1 1.819 3 3 0 -9.57540979319123 4395384 CCOC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=C(C=C2)OC(C)C)S(=O)(=O)C 1 2.694 3 5 0 -15.2397019700906 4395364 C1=CC=C2C(=C1)C(=CC(=C2N)C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O 1 4.582 1 2 -0.735122382322647 4395353 CC(C(=O)C1=CC=C(C=C1)Br)[N+]2=CC=CC(=C2)NC(=O)C3=CC=CC=C3 1 4.707 2 2 -3.17542966126891 4395351 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)N(CC3=CC=CC=C3)C(C)(C)C)C 1 3.343 3 3 -6.55130905514303 4395228 CCOC(=O)C1CCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)C(C)(C)C 1 2.168 2 5 0 -8.21103451654134 4395195 CC1(C2=CC=CC=C2N(C13CC(=NO3)CCl)C)C 1 3.125 2 1 -4.65255679538273 4395181 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-] 1 1.521 5 6 0 -24.4832340223296 4395123 CC(=NNS(=O)(=O)C1=CC=C(C=C1)Br)CC2=CC=C(C=C2)OC 1 3.124 2 3 -4.71427309054574 4395121 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=C(C=CC(=C3)C)C 1 3.38 2 5 0 -13.4949889270926 4395058 CC1CCCCN1CC2=C(SC(=C2C)C)NC(=O)C3=CC=CC=C3F 1 4.606 2 1 -11.0105460390079 4395040 C1CCC2=NNC(N2CC1)(C3=CC=CC=C3Cl)O 1 2.979 3 1 -6.62599317101314 4394952 CC(=NNC(=O)CNC(=O)C1=CC=CO1)C2=CC=C(C=C2)Br 1 1.867 3 3 0 -13.1451298736336 4394907 C1=CC=NC(=C1)CCSCC(=O)NC2=C(N=CC=C2)Cl 1 2.05 3 1 -9.8439206150678 4394906 COC(=O)C1=C(C=CS1)NC(=O)CSCCC2=CC=CC=N2 1 2.136 2 3 -13.8415960151148 4394883 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)C3=NN(C=C3)C 1 3.019 5 1 -9.80837844191339 4394882 CC(=NNC(=O)C1(CC1(Br)Br)C)C2=CC(=CC=C2)NC(=O)C3CCC3 1 3.169 3 2 -4.31029197258058 4394838 CN1CCN(CC1)C2=NC3=C(N2CCSC4=NN=NN4C5=CC=CC=C5)C(=O)NC(=O)N3C 1 1.354 10 2 0 -16.077872979232 4394824 CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=CC=CC=C4 1 3.164 6 2 0 -20.4529322929828 4394673 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCCC3=CC=CC=C32 1 2.276 3 3 -18.1282299692867 4394246 CC(C)C(C(=O)NN=CC1=CC=CO1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.233 3 5 0 -19.4244693412026 4394026 COC1=CC=CC=C1N(CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CN=CC=C5 1 3.243 3 4 0 -9.48159486989747 4394021 COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=CC=C3OC 1 3.282 2 5 0 -9.42721680886453 4394018 COC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3CCCC3)F 1 3.117 2 4 -14.11784325325 4393993 COC1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2COC3=CC=CC=C3O2 1 1.95 1 7 0 -8.1807786608031 4393950 CC1=CC=CC=C1C2N3CCCC3C(=O)N2C4=NC=CS4 1 2.844 3 1 -3.47078288324364 4393875 CC1=C(CC(C(C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC)C(=O)O)C 1 4.191 1 5 -15.7148362334898 4393871 COC(=O)C(C(F)(F)F)(NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3Cl 1 3.912 4 7 0 -18.9507050942511 4393866 CC1=NC2=C(C=C1)C(=CC=C2)NC(=O)C3=CC=CC=C3OC 1 3.067 2 2 -7.40145105536073 4393854 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O 1 2.727 3 4 0 -13.3125561591166 4393835 CC1=NN2C(=C(SC2=N1)C(C3=CC=CS3)N4CCN(CC4)C(=O)C5=CC=CO5)O 1 2.709 5 3 0 -6.32956473964191 4393830 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=C(C=CC(=C3)OC)OC 1 1.859 4 6 0 -24.5315935397664 4393822 C1CCC(CC1)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCN5CCCCC5)C(=O)NC6=CC(=C(C=C6)Cl)Cl 1 3.546 4 4 0 -0.744856971610996 4393821 C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)N5C(SCC5=O)C6=CC=CC=C6 1 4.529 3 1 -8.65537797221828 4393765 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=CO2)NC(=O)C3=CC=C(C=C3)Cl 1 3.527 3 3 -7.85845778703605 4393750 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NN=C3CCCC3)C 1 3.119 3 1 -10.9534454405331 4393712 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)C3=CC=CN3C 1 2.888 2 4 -12.1678202872461 4393659 C1=CSC(=C1)C=NNC2=C(C=C(C=N2)Cl)Cl 1 4.119 3 0 4.49670728704897 4393516 CCCCN(CCCC)C1=NC(=NC(=N1)N2C(=C(N=N2)C(=O)C)C)OC 1 3.764 7 2 0 -13.3928405730501 4393476 C1CCC2=C(C1)C=CC(=C2)C3=NN=C(O3)NC(=O)C4=CC=CC=C4Cl 1 4.633 3 2 -4.95447063536719 4393453 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCCC#N 1 2.252 3 3 -17.4459320843322 4393413 CC(C)(C)C(=O)NCCCC1=NC2=CC=CC=C2N1CC=C 1 3.604 3 1 -15.6822061324064 4393408 CCCCCN1C2=CC=CC=C2N=C1CCCNC(=O)CC 1 3.893 3 1 -11.4520577720448 4393350 CC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.81 3 3 -8.19089993535653 4393304 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F 1 2.133 3 5 0 -12.2158870746098 4393235 C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F 1 3.431 2 5 0 -21.0838149672716 4393128 C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5 1 3.779 1 3 -7.65274784632678 4392864 CC(=O)C12C3C4C1C5C(C3C4(C56OCCO6)Br)C27OCCO7 1 -0.543 0 5 0 -3.49289823722004 4392862 C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)CC(=O)NC4=CC=CC=C4 1 1.821 2 3 0 -9.13814445132818 4392816 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C(NC3=O)CC4=CNC5=CC=CC=C54 1 0.82 5 6 0 -23.5944160761142 4392759 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C#N 1 1.001 3 5 0 -16.5427889135659 4392744 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NCC2=CC=CO2 1 2.394 3 3 -16.9090241685494 4392616 CC1=CC(=CC(=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Cl)C 1 7.481 2 2 -8.24525928590107 4392588 CCCCCCCOC(=O)C1=NC(=C(C(=C1Cl)N)Cl)Cl 1 5.116 2 2 -2.6450948714425 4392425 CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=C(C=CC(=C3)Br)Br)C(=O)OCC 1 4.704 3 4 0 -11.9116822054641 4392311 C1=CC=C(C=C1)CC(=O)NN=CC2=CC(=CS2)Br 1 3.42 2 1 -1.48657947031084 4392234 COC1=C(C=CC(=C1)C=NOC)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 3.028 3 7 0 -3.54427350778474 4392156 CN1CCC(=NNC(=O)C2=CC=C(C=C2)N(CC3=CC=CC=C3Cl)S(=O)(=O)C)CC1 1 2.543 4 3 0 -11.6267868245286 4392091 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC4=CC=CC=C4S3 1 3.102 3 4 0 -23.0191124016757 4391998 CCOC(=O)C1=CC=C(C=C1)NP(=O)(C)OC2=CC=C(C=C2)Cl 1 3.242 1 4 2.67291333433802 4391932 CN(C)C(CNC(=S)NC1=CC(=CC=C1)Cl)C2=CC=CC=C2 1 4.927 3 0 -3.89258323326353 4391860 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)CC4=CC(=O)NC(=O)N4 1 1.429 8 4 0 -30.9014520250519 4391822 CC1(CC2CC(C1)(CN2C(=S)NC3=CC=CC=C3F)C)C 1 5.295 2 0 -13.9095245581765 4391746 C1C(OC2=CC=CC=C2O1)CNC3=NC=NC4=C3NC=N4 1 1.1 5 2 0 -1.13952910028119 4391680 CCOP(=O)(C(C1=CC=CO1)NC2=CC=CC=C2)OCC 1 2.833 1 4 -8.90418763328851 4391676 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N 1 1.311 2 4 0 -14.0581220519233 4391657 CC1C(=O)N=C(S1)NN=C2CCCCC2 1 2.16 3 1 -8.77599961952771 4391624 CCCN1C2=CC=CC=C2C(=NOCC(=O)NC34CC5CC(C3)CC(C5)C4)C1=O 1 3.058 3 3 -4.62670726873551 4391543 CN1CCCCC1COC(=O)C2(C3=CC=CC=C3CCC4=CC=CC=C42)O 1 4.299 1 3 0.612221412115811 4391478 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C4=CC(=CC=C4)Br 1 1.366 4 5 0 -8.44483939809358 4391395 C1CC(=O)N=C2N(C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 4.878 4 3 0 -12.2641673716513 4391323 CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C23CC4CC(C2)CC(C4)C3 1 3.547 3 3 -10.1639678548502 4391314 COC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)CCC3=O)OC 1 0.961 3 5 0 -9.3510229238911 4391269 CC1CN(CC(O1)C)C(=O)C2=C(C=NN2C)Br 1 1.376 3 2 0 -12.1663237866674 4391218 CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC=C(C=C3)OCC=C)C(=O)CCC2 1 1.848 4 2 0 -24.7999159788131 4391202 CC(C)(C)CC(=O)NC1=CC(=C(C=C1)N2CCCC2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 3.626 3 4 0 -7.00242891495933 4391126 CC(=C1C(=O)CC(CC1=O)(C)C)NNC(=O)C2=CN=CC=C2 1 0.294 3 3 0 -13.1599071384767 4391103 CCC1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)N4CCN(CC4)C5=CC=CC=N5)O 1 3.56 5 3 0 -2.13803498448869 4391102 COC1=C(C=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Cl)Cl 1 7.157 2 3 -9.50743914600576 4391096 CC1=CC(=CC(=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)OC)C 1 6.961 2 3 -15.9094673214362 4391094 CC1=CC=CC=C1CN(CC2CCC(CC2)C(=O)O)C(=S)NC3=CC=CC=C3F 1 6.696 2 2 -15.042378430594 4391082 CC1=CC(=CC(=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Br)C 1 7.565 2 2 -9.70191903100251 4390992 COC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)Cl 1 6.653 2 3 -15.9475808564379 4390985 CCOCCCN1CN(CNC1=S)CC2=CC=CO2 1 2.161 3 2 -10.4623829061582 4390920 CC1=NC=C(C2=C1OC(=NC3=CC(=C(C(=C3)OC)OC)OC)C(=C2)C(=O)N)CO 1 1.177 3 6 0 -5.09098332782574 4390807 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)SC(C3)C 1 2.17 3 4 0 -19.463548060431 4390768 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)NN=CC3=CC=C(C=C3)F 1 1.526 4 4 0 -25.6174077356942 4390735 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=CC=C3)[N+](=O)[O-] 1 2.408 2 8 0 -24.002204059808 4390721 CCOC1=CC=C(C=C1)CC(=O)N2CCN=C2SC 1 2.675 2 2 -8.59886763386895 4390720 CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C 1 3.318 4 6 0 -26.5748185918871 4390688 CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)Cl 1 3.349 3 3 -16.5690269012057 4390676 C1CCC(CC1)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)NC4CCCC4 1 4.98 3 1 -4.94115118280287 4390626 CCSC1=C(C(=CC(=N1)C2CC2)C3=CC=CS3)C#N 1 4.5 2 0 -10.4847741618042 4390646 CCC(CC)C(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)C 1 3.33 3 3 -6.22223256126909 4390597 CCN1CCN(CC1)C(C2=CC=C(C=C2)Cl)C(=O)NC3CCCCC3 1 3.927 3 1 -7.47494143549443 4390595 C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)Cl)N3CCN(CC3)C=O 1 2.759 3 2 -8.25692062610577 4390439 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)C(=O)O)C4=C(NN(C4=O)C5=CC=CC=C5)C 1 3.004 4 4 0 -8.76336562757205 4390429 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=COCCO3 1 0.952 2 4 0 -13.8353169747867 4390427 CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 1.18 4 5 0 -18.5114325767019 4390376 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 2.702 3 4 0 -8.02329076817103 4390325 CC1=CC=CC=C1NC(=S)NC(C)CCC2=CC=CC=C2 1 5.736 2 0 -9.39001437341476 4390227 C1CN(CCN1C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)C(=O)C4=CC=CO4 1 3.157 3 3 -11.135009387046 4390212 CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=C(C=C3)C 1 3.853 2 4 -5.92002431828009 4390162 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3 1 2.939 3 4 0 -15.9838927499476 4390109 CC1=NC(=CN1CC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.095 4 4 0 -7.13936209138749 4390037 CC1=NC2=CC=CC=C2N1C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br 1 6.142 3 1 1.36044250102685 4389945 C1CCC(C1)C(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-] 1 3.792 3 3 -13.6913768587467 4389926 CC1CN(CC(O1)C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3 1 1.583 5 2 0 -20.0672240069537 4389908 CC1=C(C=C(C=C1)NC(=O)NCCCN2CCCC2=O)Cl 1 1.813 3 2 0 -19.7726122177762 4389874 CC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2C=CN=C2 1 2.056 4 1 -11.5138584288127 4389867 CNC(=O)C12CC3CC(C1)CC(C3)(C2)Cl 1 1.917 1 1 0 -5.17061284858562 4389809 CSC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)OCC=C)C3=C(N=C(NC3=O)SC)O)O 1 3.736 4 5 0 -16.2785175708096 4389758 C1CN(CCC1C(=O)OCC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3 1 1.909 2 5 0 -20.5652947869308 4389754 CN(C)C1=CC=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F 1 5.809 2 3 -16.9709379189416 4389753 C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)COC3=CC=CC=C3 1 3.179 1 4 -12.0321828652251 4389752 COC1=CC=C(C=C1)CCNC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br 1 3.657 1 4 -8.80350420446539 4389622 COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N)CN5C=C(C=N5)[N+](=O)[O-] 1 2.568 7 4 0 -29.2293630140838 4389519 CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 1.885 4 3 0 -22.7945369236178 4389513 COC1=CC=C(C=C1)C=NC2=CC=CC3=C2C=CC=N3 1 3.596 2 1 6.89410645697543 4389350 CC1CCCC(N1C(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)C 1 1.914 2 6 0 -27.2819007931314 4389251 C1CS(=O)(=O)CC1NC(=O)COC(=O)CC2=CC(=CC=C2)C(F)(F)F 1 1.229 1 5 0 -13.9439154688505 4389209 COC1=C(C=C(C=C1)F)CN2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5 1 5.061 4 1 4.03073810483833 4389176 C1=COC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.275 2 6 0 -8.01670028670739 4389040 C1C=NN(C1C2=CC=CC=C2)C(=S)NC3=CC=CC=C3 1 4.066 3 0 -4.79965843011837 4388796 CC1=CSC(=N1)C2=C(N(CC2=O)C3=CC4=C(C=C3)OCCOCCOCCOCCO4)N 1 1.205 3 6 0 -9.34391299276511 4388744 CCC1CCCCN1CCCNC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCC(CC4)C 1 2.253 5 4 0 -33.4773882723387 4388725 C1CN(CC1C2=CC=CC=C2)C(=O)CC3=CC=CC=C3 1 3.091 1 1 -5.9219987081145 4388656 CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 2.993 3 5 0 -9.46083203103974 4388618 CC1CC(NC(=S)N1CCCC(=O)NC2=CC=C(C=C2)C)(C)C 1 3.726 3 1 -12.8368523108567 4388615 CC1CC(NC(=S)N1CCCC(=O)NC2=CC=CC(=C2C)C)(C)C 1 4.212 3 1 -11.8305930389506 4388614 CCN(C1=CC(=C(C=C1)C)C)C(=O)CN2C(CC(NC2=S)(C)C)C 1 4.198 3 1 -11.5445121814147 4388595 CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4 1 3.605 3 4 0 -12.2201082705538 4388531 CCC(C)N=C(C(=O)OCC)NNC1=CC=CC(=C1)C(F)(F)F 1 3.775 3 2 2.42914959480764 4388447 C1=CC=C2C=C(C=CC2=C1)OCC(CNCCC3=CC=C(C=C3)Cl)O 1 4.383 1 2 5.71413663716218 4388384 CCCCCC(=O)NN=CC1=CC=CO1 1 2.449 2 2 -9.84923037398327 4388130 CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N(C)C 1 0.809 3 7 0 -16.8680911463044 4387919 CC1=CC=C(O1)C=NNC(=O)CNC(=O)CC2=CC=C(C=C2)OC 1 1.302 3 4 0 -13.081774290152 4387918 C1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 2.936 2 3 -20.4045725006311 4387745 CCC(C)C(=NNC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C 1 4.749 4 1 1.20572431628804 4387660 CC1CC(CN(C1)C(=O)CNS(=O)(=O)C2=CC=CS2)C 1 1.349 2 3 0 -15.2324872775052 4387615 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)NN=CC3=CC(=CC=C3)O 1 2.175 3 5 0 -14.953859182794 4387580 CC1CCCC(C1C)NC(=O)COC(=O)CC2=CC=CC=C2 1 3.209 1 3 -13.1234257825639 4387529 C1CC1NC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-] 1 0.382 3 5 0 -13.6498599860994 4387477 COC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NCC3=CC=CC=C3 1 2.689 2 3 -11.1656268153824 4387253 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 0.517 3 5 0 -17.9463838820473 4385914 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)F 1 2.762 1 5 -12.7793064414284 4385887 C1CC1C2=NN=C(S2)NC(=O)C3COC4=CC=CC=C4O3 1 1.88 3 3 0 -7.24302888164587 4385863 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=N3)C4=CC=CC=C4 1 3.717 2 3 -8.82502855226093 4385862 COC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 0.771 3 6 0 -28.0067140123628 4385813 CC1=C(C=C(C=C1)N(C(C)C(=O)NCC2=CC=NC=C2)S(=O)(=O)C)C 1 1.896 3 3 0 -9.76537713760424 4385781 CC1=CC2=C(C=C1)N=C(C3=C2OC(C3)CBr)Br 1 4.381 1 1 4.6280070114511 4385691 C1CCC(CC1)CNC(=O)COC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=C(C=C3)F)Cl 1 4.298 2 5 0 -14.4166716662366 4385657 CC(C(=O)N1CCN=C1SCC2=CC=CC=C2F)OC3=CC=CC=C3 1 4.417 2 2 -15.7656186924783 4385654 CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC(=C(C=C3)OC)OC 1 1.782 6 5 0 -35.0219391044253 4385641 CN1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4S3 1 3.507 2 1 -0.376812147171715 4385640 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NNC(=N3)C4=CC=CC=C4 1 3.257 4 3 0 3.38220786503125 4385634 CC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 1 1.94 1 5 0 -17.9840200712447 4385470 C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.203 4 3 0 -18.6598445620934 4385370 C1CC1C(=O)NN=C2CCC3=CC=CC=C32 1 2.082 2 1 -8.18995089608125 4385358 COC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3 1 1.845 4 4 0 -26.2445443328425 4385350 CC1=CC=CC=C1C(C2=CC=NC=C2)O 1 2.173 1 1 -2.75661433328637 4385342 CCOC(=O)C1=C(N=C(S1)NC(=O)CCC2=CC=C(C=C2)OC)C 1 2.864 2 4 -13.9717180943895 4385336 CC12CCC(C1(C)CS(=O)(=O)N3CCN(CC3)C)C(C2=O)Br 1 1.3 2 3 0 -13.3900023538667 4385234 CC1CCCCC1=NNC(=S)NCCC2=CC=CC=C2 1 4.323 3 0 -10.6074195759211 4385170 CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.53 1 4 -4.37900837535985 4385163 COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.181 1 4 -3.61278522365183 4385098 COC1=CC(=C(C=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3CCCO3)Cl)OC 1 2.223 2 8 0 -24.8848444662337 4384980 CC1=C(C(=NN1C)C)NC(=O)CC23CC4CC(C2)CC(C4)C3 1 2.618 3 1 -6.49524983841677 4384975 CC1=CC(=O)N=C(N1)SCC(=O)NC2CCCC3=CC=CC=C23 1 2.627 3 2 -21.5917221420439 4384925 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCCCC(=O)O 1 2.96 2 5 0 -13.8822592951022 4384888 COC1=C(C=CC(=C1)CNC2=CC3=C(C=C2)NC(=O)N3)OCC4=CC=CC=C4Cl 1 4.3 3 3 -13.5778637938724 4384865 COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=CC=C3OCC(=O)O)[N+](=O)[O-] 1 3.279 4 8 0 -11.9083536406859 4384858 CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3)C4=CC=C(C=C4)OC 1 3.63 4 2 -10.1990816060579 4384757 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCC4(CC3)OCCO4)C(=O)NCC5=CC=CC=N5 1 1.949 3 6 0 -16.2285048231741 4384569 C1COCCN1C2=NC(=NC(=N2)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NC5=CC=CC=C5F)N6CCOCC6 1 2.89 8 3 0 -12.6321332316742 4384568 C1CCN2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 3.657 4 2 6.3919024650364 4384534 CC1CN(C2=CC=CC=C2NC1=S)CC3=CC=CC=C3 1 4.464 2 0 -4.40167077944555 4384522 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NC2=CC=CC3=CC=CC=C32 1 4.878 3 2 -12.1456267804252 4384517 CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=COCCO2 1 1.886 1 5 0 -12.397731312961 4384512 CC1(C2(CCC1(C(C2=O)Br)C(=O)NC3=CC=CC=C3)C)C 1 3.277 1 2 -6.65344944099344 4384474 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3)[N+](=O)[O-] 1 2.185 3 6 0 -14.3848864982218 4384415 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3 1 2.98 3 4 0 -16.4932351089289 4384334 C1=CC(=C(C=C1F)F)NN=CC2=CC=NC=C2 1 2.709 3 0 2.39997915092882 4384332 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCCC5)C 1 3.27 4 6 0 -18.9957704897057 4384251 CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3COC4=CC=CC=C4O3)C 1 2.662 2 4 -11.3546446944343 4384243 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C=NNC(=O)C3=CC4=CC=CC=C4C=C3)OC 1 3.83 3 6 0 -15.7115216467933 4384238 CC1=CC=CC=C1OCC(=O)NN=C2CCOC3=C2C=CC=C3OC 1 2.886 2 4 -6.29046133775236 4384186 C1COC2=C(O1)C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC=CO4 1 2.739 2 4 -1.18506340069378 4384144 COC1=C(C=C(C=C1)Cl)NC(=O)C2=CN=C3N(C2=O)CCS3 1 1.871 3 3 0 -12.0237481939954 4384086 COC1=C(C=C(C=C1)Cl)NC(=O)NCC2=CC=CC=N2 1 2.242 3 2 -8.20622922696459 4384043 C1CCC(C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4 1 2.075 6 3 0 -25.3943132405371 4384031 CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CC(=O)NC4=CC=CC=C43 1 4.348 3 2 -15.0854851675556 4384030 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)N3CC(=O)NC4=CC=CC=C43 1 4.126 3 2 -16.2689970253477 4384008 C[N+]1(C2CCC1CC(C2)OC(=O)C3=CC(=C(C=C3)OC)OC)[O-] 1 1.474 1 5 0 -13.6257765648241 4383883 COC1=C(C=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)NC4=CC=CC=C4)N)C#N)OCC=C 1 3.717 4 3 0 -27.9731663241215 4383648 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3COC4=CC=CC=C4O3 1 2.996 2 4 -2.2116572780428 4383640 C1CCC(C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F 1 1.939 4 3 0 -26.3577602921631 4383633 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC=C(C=C2)C 1 1.879 1 4 0 -13.9644411611917 4383512 C1COCCN1C2=CC(=O)N(C(=O)N2)C3=CC=C(C=C3)Br 1 1.955 3 3 0 -3.74051170075046 4383487 CCOC(=O)C1=C(C(NC(=S)N1)C2=CC=CC=C2OC)C 1 2.888 2 3 -14.5771760104196 4383435 CCCCCCCCCC1=NC2=C(O1)C3=CC=CC=C3N(C2=O)C 1 5.247 2 2 -0.332745589011946 4383427 C1CCC(C1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.406 1 3 -3.50104724344018 4383422 CCOC1=C(C=C(C=C1)C=NN2C(=NN=C2C)C)OC 1 1.882 4 2 0 -5.88420144370282 4383341 CCN(CC)C(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCCC3)C 1 3.513 2 4 -11.1740621218276 4383151 CC(C(=O)OC)SC1=NN=C(N1C2=CC(=CC=C2)OC)CC3=CC(=O)NC(=O)N3 1 1.583 5 5 0 -20.0857829218946 4383132 CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)NC3=NN=CS3 1 1.596 4 3 0 -17.2369570264768 4382841 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)NN=CC2=CC=CS2 1 0.813 4 4 0 -19.2607608195957 4382834 CCOC(=O)C1=C(NC(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)C3=CC=CC=C3 1 2.532 3 6 0 -20.2642383269759 4382652 COC1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)F 1 3.435 2 3 -17.8943391348726 4382563 CC1=CC=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 1.346 4 4 0 -17.9158710887724 4382474 CC1=CC=CC=C1C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 2.66 4 3 0 -14.4168808219776 4382446 CC1CCN(CC1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)NCCN(C)C)C 1 0.372 5 4 0 -28.8380778583713 4382396 C(CC1=NNN=N1)CC2=NNN=N2 1 -0.224 8 0 0 -2.95810462946107 4382320 CCC1(C(=O)C2=CC=CC=C2N(C1=O)CC)F 1 2.383 1 2 0.876021734647586 4382223 C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl 1 3.125 2 4 -6.68602079073527 4382156 C1=CC=C(C(=C1)NC(=O)CCCN2C(=O)C3=C(C2=O)N=CC=C3)F 1 1.551 3 3 0 -9.09130843944781 4382155 CCC1=CC=CC=C1NC(=O)CCCN2C(=O)C3=C(C2=O)N=CC=C3 1 2.288 3 3 -9.95675896595799 4382082 COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br 1 3.243 1 5 -13.957439888052 4382049 CC1=CC=CC(=C1)C(=O)NC2CCCC3=CC=CC=C23 1 4.123 1 1 -5.65936905029382 4381791 CCC1=C(SC(=C1C#N)NC(=O)C2CCCO2)C 1 2.036 2 2 -20.2656523320855 4381609 CCOC1=C(C=C(C=C1)C(CCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)OCC 1 5.675 1 3 -12.9532390623682 4381463 CCOC(=O)C1CCN(CC1)C(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C 1 2.935 2 6 0 -15.6622662933996 4381372 CC1=C(C(=NN1C)C)NC(=O)C23CC4CC(C2)CC(C4)C3 1 2.583 3 1 -3.44386723809456 4381326 CC1CN(C2=CC=CC=C2NC1=O)C(=O)C3=CC=CC=C3 1 2.337 2 2 -10.8754254457797 4381228 CC1=CC(=CC=C1)NC(=S)N(C)C2CCCCC2 1 5.392 2 0 -4.65875007473377 4381127 C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(C3=CC(=CC=C3)Cl)C(=O)CCl 1 3.839 3 2 -12.6179906366786 4381126 COC1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)CCl 1 3.158 3 3 -15.1493261603597 4381125 CC1=C(C=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)CCl)C 1 4.147 3 2 -14.2922368513992 4381083 COC(=O)C1=CC=C(C=C1)C(=O)NCCCCO 1 0.996 1 4 0 -10.5583179289577 4381034 COC1=CC=C(C=C1)CN2C(=O)CC3=C2N=C(C4=C(N=C(C(=C34)C#N)N5CCOCC5)N)N 1 0.971 7 3 0 -7.68628860665604 4380908 CCOC(CNC1=C(C(=O)N(C(=O)N1C)C)[N+](=O)[O-])OCC 1 -1.e-002 4 6 0 -14.3079249047724 4380794 C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=S)NCC(=O)NCC3CCCO3 1 4.259 3 2 -17.8872444178511 4380793 C1=CC=C(C=C1)C2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC(=O)N 1 2.539 4 2 -14.6398977833796 4380426 C1=CC=C(C(=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3F)Cl 1 3.883 3 1 -8.4307943541324 4380412 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=NNC(=O)C2=C(C=NN2C)Br)C 1 3.515 5 2 0 -13.0973798476647 4380373 CCCN1C(=CC(=C(C1=O)C#N)C)C 1 1.553 2 1 0 -5.92482338820119 4380267 C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(C3=CC=C(C=C3)F)C(=O)CCl 1 3.38 3 2 -14.0244829257503 4380266 C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(C3=CC=CC=C3Cl)C(=O)CCl 1 3.839 3 2 -17.1087976414721 4380256 CCCN(CCC)C(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC(=C(C=C3)OC)OC)C4=CC(=C(C=C4)OC)OC 1 6.281 3 5 0 -8.09788921568908 4380056 CC1=C(SC=C1)C(=O)NC(C)C2=CC3=C(C=C2)OCO3 1 3.206 1 3 -9.62884104904217 4379798 CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CC(C4C3=O)C(C5Br)Br 1 4.032 2 3 -10.6115333433488 4379738 CSC1=NCCN1C(=O)C2=CC=CS2 1 2.261 2 1 -9.82729660089729 4379715 CNC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 1 2.325 4 4 0 -28.7233877827498 4379652 CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)NCC4CCCO4)C(=O)N(C1=O)C 1 1.809 5 4 0 -26.1687347715111 4379643 CSCCC(C(=O)NC1=CC=CC(=C1)C#N)NC(=O)N 1 0.49 4 2 0 -18.1784080783014 4379589 C1C(N(N=C1C2=CC=C(C=C2)Cl)C(=O)CSC3=NC(=O)C=C(N3)N)C4=CC=CO4 1 2.625 5 3 0 -17.9369508252926 4379545 C1=CC=C(C(=C1)C=NNC(=O)CNC(=O)C2=CC=NC=C2)[N+](=O)[O-] 1 0.486 5 4 0 -14.5632697584253 4379471 CCC1=NN=C(S1)NC(=O)C2=NC3=CC=CC=C3C=C2 1 2.631 4 1 -14.3519017738712 4379439 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.678 2 4 -1.67548018091451 4379353 CC(C)C(=NNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C 1 3.721 3 2 -0.694173224695119 4379085 CC1=C(C=C(C=C1)C(=NNC(=S)NCCOC)C)[N+](=O)[O-] 1 2.461 4 3 0 -15.8746755787414 4378997 CCOP(=O)(C(C(F)(F)F)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OCC 1 2.045 3 8 0 -15.1557141485225 4378980 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4 1 2.122 4 4 0 -25.1246502785957 4378930 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 0.703 4 7 0 -36.0498473320729 4378728 CC(=O)C(C(=O)C)(N=NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 1 6.195 5 2 0 1.54575256187058 4378686 CSC1=CC=CC=C1C(=O)OCC(=O)NC2CCS(=O)(=O)C2 1 0.794 1 5 0 -22.60398815659 4378684 COC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 2.538 2 7 0 -10.2163348331305 4378682 C1CCC(CC1)CNC(=O)CN2C(=O)C(NC2=O)(CC3=CC=CC=C3)CC4=CC=CC=C4 1 4.202 3 3 -9.70535620496997 4378441 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC6=CC=CC=C6C=C5 1 4.759 2 4 5.11709731158678 4378436 CC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C4CCCCC4 1 3.503 9 2 0 -26.0060252601516 4378126 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3O)Cl 1 2.125 4 4 0 -5.37286538838581 4378124 CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)Cl)Br 1 3.611 3 3 -5.53903199231473 4378120 CC1CC(NC(=S)N1CC(=O)NC2=CC(=C(C=C2)C)Cl)(C)C 1 3.821 3 1 -8.82027875004372 4378118 CC1CC(NC(=S)N1CC(=O)NC2=CC=CC(=C2)C)(C)C 1 3.157 3 1 -7.36448905062331 4378117 CCN(CC1=CC=CC=C1)C(=O)CN2C(CC(NC2=S)(C)C)C 1 3.232 3 1 -14.6605141621565 4378113 CC1CC(NC(=S)N1CC(=O)NCC2=CC=C(C=C2)F)(C)C 1 2.883 3 1 -13.019440512594 4378112 CC1CC(NC(=S)N1CC(=O)NC2=CC=CC(=C2)C(=O)C)(C)C 1 2.411 3 2 -11.8230985270736 4378111 CC1CC(NC(=S)N1CC(=O)NC2=CC=CC=C2C)(C)C 1 3.157 3 1 -11.8168273799447 4378086 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCCC3 1 3.738 2 4 -7.60575538597939 4378048 C1CN(CCN1C(=S)NCC2=CC=CC=C2)C(=S)NCC3=CC=CC=C3 1 5.191 4 0 -10.5731184382994 4378046 CC12CC3(CC(C1)(CC(C2)(C3)NC(=O)NC4=CC(=C(C=C4)OC)OC)C)C 1 3.675 2 3 -12.2287020874271 4378040 COC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.129 0 5 -6.66750464456348 4378015 CC1=CC=CN2C1=NC(=C2)CSC3=NN=C(S3)NC4=CC=C(C=C4)C(C)C 1 4.519 5 0 -6.77338804702896 4378002 CCOC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(C=C(N3)C)(C)C 1 2.751 5 1 -2.93749265592703 4377888 CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=CC2=C(C=C1)OCO2 1 -0.426 2 6 0 -20.3692157504328 4377849 CC1=CC=C(C=C1)OCC2=NC(=C(O2)NC3=CC=C(C=C3)OC)C#N 1 3.939 3 3 -4.45423378677029 4377834 CCOC(=O)C1=C(NC(=C(C1C(=O)OCC(=O)N2CC(OC(C2)C)C)C(=O)OCC)C)C 1 0.404 2 8 0 -23.9025660639974 4377816 CC1=CC(=C(O1)C)C(=O)OC(C)C(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 3.144 2 4 -5.47020859590275 4377778 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CC3=CC=CC=C3F 1 2.685 3 5 0 -18.7362622779905 4377722 C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=NN=C(O3)C4=CC=CO4 1 2.759 3 3 -0.64771641441911 4377688 CC1=CC=C(C=C1)N(CC2=CC=CO2)C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-] 1 5.045 3 4 0 -7.61084311108745 4377666 C1COCCN1S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3 1 0.435 4 4 0 -19.4648022877593 4377636 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC3=CC=C(O3)C(=O)OC 1 2.168 3 6 0 -21.1556737563605 4377626 C1CC(OC1)CNC2=NC(=O)C(S2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 2.243 4 5 0 -15.9238528146384 4377554 CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 1.161 2 6 0 -26.556020978299 4377519 C1C=CCC2C1C(=O)N(C2=O)CC(=O)NC3=NN=C(S3)SCC4=C(C=CC=C4Cl)Cl 1 3.54 4 3 0 -18.4995631196051 4377475 C1CS(=O)(=O)CC1NC(=O)CSC2=NC3=CC=CC=C3S2 1 1.564 2 3 0 -18.0953130002783 4377393 COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CN3C(=O)CCC3=O 1 -0.34 4 7 0 -18.2919592199377 4377353 COC1=C(C=C(C=C1)CCNC(=O)C(CCC(=O)N)NS(=O)(=O)C2=CC=C(C=C2)Cl)OC 1 1.895 3 6 0 -21.6190856041769 4377310 CN1C=CN=C1C(=NNC(=O)C2=CC=C(C=C2)O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.48 5 4 0 -7.99467839202331 4377272 C1=CC(=CC=C1C(=O)NN=CC2=CC=C(S2)Br)[N+](=O)[O-] 1 3.099 3 3 -4.75070111749722 4377270 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 0.758 2 6 0 -23.4272574390214 4377259 CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC(=CC=C4)OC)C(=O)NC 1 2.46 4 2 -15.0690769176726 4377135 CC1=C(SC=C1)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)S(=O)(=O)NC4=CC=CC=C4OC 1 3.375 3 5 0 -12.2698421189888 4377134 COC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CN=CC=C4 1 3.064 3 2 -8.61096474880066 4377126 C1=C(OC(=C1)Br)C(=O)NC2=CC(=CC(=C2)SCCO)[N+](=O)[O-] 1 2.474 2 5 0 -8.37446939786211 4377096 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CCCC3 1 2.135 2 5 0 -16.867986364191 4377057 CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.541 4 7 0 -30.3442005891801 4376926 CCCCN(CC1=CC2=CC=CC=C2NC1=O)C(=O)C3=CC=CC=N3 1 2.816 3 2 -14.3306741670303 4376861 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F 1 -0.183 2 8 0 -34.2706904126618 4376839 CCN1C2=C3C(=C(C=C2)NC(=O)C4=CC(=C(C=C4)OC)OC)C=CC=C3C1=O 1 2.999 2 4 -13.7801406909261 4376567 COC1=CC=C(C=C1)CC2=NNC(=S)N(C2=O)N 1 1.298 4 2 0 -11.6694078457049 4376399 CCC1=NN=C(S1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3F 1 3.426 3 2 -7.86275935615299 4376343 C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-] 1 3.851 3 4 0 -8.15340329683283 4376333 CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3CCS(=O)(=O)C3 1 1.849 3 6 0 -24.35630944886 4376220 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)OCC(=O)NCCN3C(=O)CSC3=O 1 1.264 3 7 0 -31.6214296037708 4376007 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3 1 2.432 4 4 0 -24.6517505535361 4376004 COC1=CC2=CC=CC=C2C=C1C(=O)OCC(=O)NC3CCS(=O)(=O)C3 1 1.144 1 6 0 -17.3495407918488 4375543 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)C2=C3N(CC2)C(=CS3)C4=CC=C(C=C4)OC 1 3.052 2 4 -10.0358904219101 4375167 COC1=CC=CC=C1OCCNC(=O)C(=O)C2=CNC3=CC=CC=C32 1 2.833 2 4 -9.03622880241441 4375033 C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)Br 1 3.199 3 4 0 -15.956527412138 4374900 CC1=CC(=C(C=C1)C)NC(=S)NN=C(C)C2=CC=C(C=C2)OC 1 5.022 3 1 -8.31295769963289 4374898 COC1=CC=C(C=C1)C2=CC3=NC4=CC=CC=C4N3C(=C2C#N)N 1 3.509 4 1 -2.84236274230872 4374897 COC1=CC(=CC(=C1OC)OC)C2=CC3=NC4=CC=CC=C4N3C(=C2C#N)N 1 3.476 4 3 0 -7.35830533617628 4374857 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=CN=C2)Br 1 1.329 3 3 0 -11.1931946977805 4374850 CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CCOC3=CC=CC4=CC=CC=C43 1 1.812 5 3 0 -15.0272803198515 4374837 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCN4CCOCC4)C(=O)NCCC5=CC(=C(C=C5)OC)OC 1 1.398 6 5 0 -29.9349462268539 4374749 COC1=CC2=C(C=C1)NC(=O)C(=N2)NC(=S)N 1 0.736 4 2 0 -9.12742315671721 4374713 CC1=CC(=O)N=C(N1)NN=C(C)C2CC2 1 0.472 4 1 0 -14.4578549451182 4374687 C1CC1CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.647 3 5 0 -9.68410604164584 4374648 CCNC(=O)NC(=O)C(C)OC(=O)CNS(=O)(=O)C1=C(C=C(C=C1Cl)Br)Cl 1 2.198 3 6 0 -11.1913578630399 4374594 CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC(=O)NN=CC3=CC=NC=C3 1 1.719 6 2 0 -13.8861681893032 4374592 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NN=CC2=CC=C(C=C2)Cl 1 2.11 3 3 -10.6128799742094 4374561 CC1=CC(=C(C=C1)OC)NC(=S)NC23CN4CN(C2)CN(C3)C4 1 2.685 5 1 -9.03555973305243 4374559 CC1=CC(=C(C=C1)C)NC(=S)NC23CN4CN(C2)CN(C3)C4 1 3.188 5 0 -8.4179647365605 4374557 CC1=CC=CC=C1NC(=S)NC23CN4CN(C2)CN(C3)C4 1 2.702 5 0 -9.20401582885771 4374555 CC1=C(C(=CC=C1)NC(=S)NC23CN4CN(C2)CN(C3)C4)C 1 3.188 5 0 -5.63306378095938 4374553 COC1=CC(=C(C=C1)NC(=S)NC23CN4CN(C2)CN(C3)C4)OC 1 2.183 5 2 0 -11.2080013570465 4374551 CCOC1=CC=C(C=C1)NC(=S)NC23CN4CN(C2)CN(C3)C4 1 2.548 5 1 -8.8229522531867 4374524 C1=CC=C2C(=C1)C(C(=O)N2)C(=O)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 0.489 3 5 0 -17.9998418580141 4374494 CC1CC(CN(C1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=N4)SC=C3)C 1 3.659 4 2 -28.371165684492 4374493 CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=N4)SC=C3 1 3.967 4 2 -28.9700928657157 4374491 C1=CC=NC(=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=CC=C(C=C4)[N+](=O)[O-] 1 4.315 4 3 0 -23.1503379702712 4374468 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)COC2=CC=CC=C2C 1 1.861 3 5 0 -11.3631501598126 4374458 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2CCN(CC2)CC(COCC3=CC=CC=C3)O 1 2.538 3 6 0 -10.5739557807746 4374438 COCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=NC=C3 1 -0.262 9 3 0 -25.8850762132806 4374385 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=CC=CC=C3C(F)(F)F 1 2.764 3 3 -8.01964724879779 4374373 CC(C1=CC=CC=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C3=CN=CC=C3 1 2.111 4 3 0 -9.68681134605574 4374325 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.176 3 5 0 -21.7821906006272 4374322 CCN(CC)C(=O)COC1=CC=C(C=C1)C(=NNC(=O)C2=CC=CC=C2Br)C 1 3.359 3 3 -14.9696326019016 4374275 CN(CC1=CC=C(C=C1)OCC=C)CC(COC2=CC=CC3=CC=CC=C32)O 1 4.533 1 3 -4.5801013285395 4374187 C1=CC=C2C(=C1)C(=O)N(C=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.684 4 4 0 -8.25462203751871 4374184 COC1=CC(=C(C=C1)C(=O)NN2C=NC3=CC=CC=C3C2=O)OC 1 1.757 3 4 0 -6.10999544894965 4374180 CCN(CC)C1=CC=C(C=C1)C(=O)NN2C=NC3=CC=CC=C3C2=O 1 2.649 4 2 -11.1148964900327 4374179 C1=CC=C2C(=C1)C(=O)N(C=N2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.684 4 4 0 -10.0951848400735 4374178 CC1=C(C=CC(=C1)C(=O)NN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-] 1 2.17 4 4 0 -10.6276033449623 4374139 C1CCC(CC1)NC(=O)C(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4 1 4.885 2 2 -3.4274782382709 4374138 CCC(C1=CC=CC=C1)C(=O)NC(CC(=O)OCC)C2=CC=CC=C2Cl 1 4.572 1 3 -12.9330793079019 4374113 CC(C)(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)O 1 3.406 2 4 -6.86046234009419 4374081 C1CN(C2=CC=CC=C21)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-] 1 2.013 3 4 0 -12.2011552928795 4374075 CCOC1=CC=C(C=C1)N2C3=C(C(=O)N=C(N3)SCC(=O)OCC)SC2=S 1 4.598 3 4 0 -17.4233698220942 4374043 C1=CC=C2C(=C1)C(=O)N(C=N2)NC(=O)C3=CC=CC=C3F 1 1.995 3 2 0 -7.67733122104151 4374042 C1=CC=C2C(=C1)C(=O)N(C=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 2.348 4 4 0 -9.02417440747602 4374041 C1=CC=C2C(=C1)C(=O)N(C=N2)NC(=O)C3=C(C=CC=C3F)F 1 2.2 3 2 -6.11943358254812 4374017 CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC(C)C2=CC=CC=C2 1 4.334 1 3 -15.1094692777065 4373988 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CC2CC3CCC2C3 1 1.822 2 5 0 -8.222771694039 4373978 C1=CC(=CC=C1C#N)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F 1 2.719 3 2 -8.92341892598816 4373915 CC(C1CC2CCC1C2)NC(=O)COC(=O)CC3=CSC=C3 1 2.684 1 3 -12.5254862107273 4373790 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)Cl 1 1.871 2 7 0 -16.754137318962 4373743 CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=CC=C2Cl 1 1.852 2 3 0 -2.15226560813676 4373715 CC(C)N1C=C(C2=CC=CC=C21)C=NNC3=CC(=C(C=C3)Cl)C(=O)O 1 4.968 3 2 -2.49555536922266 4373628 CC1CC(NC(=S)N1CC(=O)N(C)CC2=CC=CC=C2)(C)C 1 2.883 3 1 -12.3494281018258 4373626 CC1CC(NC(=S)N1CC(=O)NCC2=CC=CC=C2Cl)(C)C 1 3.342 3 1 -15.0949569685427 4373621 CC1CC(NC(=S)N1CCC(=O)NCC2=CC=C(C=C2)F)(C)C 1 3.131 3 1 -14.5932294906678 4373617 CCOC1=CC=C(C=C1)NC(=O)CCN2C(CC(NC2=S)(C)C)C 1 3.251 3 2 -11.301719560735 4373559 C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=C3O 1 2.276 4 4 0 -2.39085041705562 4373523 C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C4=CC=C(C=C4)O 1 1.813 4 5 0 -13.8223987905464 4373472 C1CCN(CC1)C2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-] 1 2.653 3 3 -1.73909249864556 4373492 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.065 3 4 0 -14.9446571136195 4373386 CC(C(=O)NC(=O)N)OC(=O)CCCC1=NC2=CC=CC=C2S1 1 1.819 3 4 0 -9.41836530856925 4373375 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC(=C(C=C3)OCC(=O)N4CCOCC4)OC 1 1.811 2 8 0 -31.9406039855998 4373362 C1=CC=C2C(=C1)C(=O)N(C3=C(S2)C=CC(=C3)C(=O)O)CC4=CC=C(C=C4)F 1 4.527 1 3 2.25699060187674 4373344 C1CC(=CC(=O)C1)N2CCOCC2 1 0.614 1 2 0 -5.68818058660323 4373340 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2)CCC3=CC=CC=C3 1 2.49 3 3 -5.74040384273 4373309 CCC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)Cl)OC 1 4.216 1 2 -8.07098709325018 4373250 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)F)F 1 2.304 2 2 -7.15380459269277 4373244 CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br 1 4.027 2 4 -6.65328866804759 4373090 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NCCC3=CC=CC=C3 1 1.567 2 6 0 -23.9473678765634 4373059 CC1=CC(=C(C=C1)NC(=O)COC(=O)COC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 3.202 2 6 0 -9.05936225235146 4373006 CC(C(=O)N1CCCCC1)NC(=O)C2=CC=C(C=C2)Cl 1 2.369 2 2 -11.1883698699103 4372899 CC1=NC2=C(C(=N1)SCC(=O)NCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C 1 1.416 5 3 0 -24.8362500570836 4372894 C1=CSC(=C1)CC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br 1 4.492 3 1 -17.9901147220497 4372861 C1CC(=NNC2=NC3=CC=CC=C3N2)C4=CC=CC=C41 1 3.174 4 0 1.60057638416652 4372808 COC(=O)C1=C(CCS1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 2.349 1 4 -4.14332932213591 4372767 CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)C 1 2.902 4 4 0 -18.6068379491618 4372695 COC1=C(C=C(C=C1)[N+](=O)[O-])C2NN=C(S2)C3=CC=CC4=CC=CC=C43 1 4.4 3 3 -2.62216578080147 4372621 CCCC1(C(=O)N(C(=O)N1)CC(=O)NC2=NOC(=C2)C)C3=CC=CC=C3 1 1.831 4 4 0 -15.761864329554 4372612 C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC=C(C=C3)Br)C(=O)O 1 5.052 1 2 0.4089913386569 4372604 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)C(C)C 1 3.176 3 5 0 -11.9427435341696 4372542 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=C(C)C3=CC=CO3 1 2.527 3 2 -5.23620445189772 4372522 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=C[N+](=CC=C3)[O-] 1 2.033 3 6 0 -21.0630447401989 4372520 CC(COC)NC(=S)NC1=CC=CC=C1[N+](=O)[O-] 1 2.653 3 3 -12.3248508415533 4372420 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=S)NC4=CC=C(C=C4)OC(F)F 1 5.773 3 1 -0.614194936675082 4372375 COC1=CC=CC=C1NC(=O)COC(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.348 3 5 0 -14.985131672931 4372414 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)C(=O)O 1 0.157 4 6 0 -17.1948954650429 4372412 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)N3CC4(CC3CC(C4)(C)C)C 1 2.917 8 1 0 -25.2892995648039 4372349 CCOC(=O)C1CCCN(C1)C(=O)COC2=CC=CC=C2O 1 1.648 1 5 0 -7.94880000975592 4372318 CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)S(=O)(=O)N5CCOCC5 1 3.434 3 5 0 -17.8461772316066 4372248 C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NC4=NN=CS4 1 1.968 3 1 0 -6.33866433550847 4372215 CCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCCO2 1 1.523 2 4 0 -19.7308215586502 4372206 C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4Cl 1 3.491 3 3 -9.70834980561446 4372202 CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.103 2 5 0 -10.289934230161 4372140 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3C(=C(NC(=C3C(=O)OC)C)C)C(=O)OC 1 1.292 2 7 0 -20.0790372212098 4372116 C1CC2=NC3=C(C=C2C(=O)C1)C(OC4=C3C=CC5=CC=CC=C54)O 1 3.46 1 3 1.01267122136374 4372095 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 3.104 4 4 0 -28.11802933929 4372036 C1CN2C(CC(=O)C(C2=O)C=NOCC3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C41 1 3.372 2 3 0.528726593965216 4371989 CC1=CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC=C(C=C3)Cl)C(=O)N1 1 1.527 2 4 0 -17.5256563224882 4371917 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C5=NOC(=C5)C)O 1 4.192 2 7 0 -23.5481975199224 4371888 C1CCC(C1)N2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=CC=C4)C(=O)N5C=CC=CC5=N3 1 2.294 4 3 0 -24.1289036348359 4371856 CC1=NC(=O)C=C(N1)CCl 1 8.3e-002 2 1 0 -5.10153141139037 4371854 CC1=CC(=O)N=C(N1)N2C(=O)C=C(N2)C 1 -0.391 4 2 0 -9.29610644548133 4371819 C1=CC(=C(C=C1F)F)NC(=O)C2=CC(=CN=C2)Br 1 2.623 2 1 -3.45410550088924 4371809 C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NN=CC4=CC(=C(C=C4)F)F 1 5.458 2 1 -3.09710850169793 4371781 CNC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CC(=O)N(C3=O)C4=CC=CC=C4 1 3.241 3 4 0 -9.97979863465001 4371776 CN1C(=C(C(=N1)C(F)(F)F)C=NOC(=O)C2=CC=CC=C2Cl)SCC3=CC=C(C=C3)Cl 1 6.743 3 2 1.81528951088393 4371774 CC(C1=NN(C=C1)S(=O)(=O)C2=CC=CC3=CC=CC=C32)OC4=CC(=C(C=C4)C5=CC=CC=C5)F 1 6.529 2 3 1.6335766791959 4371773 CCCN(CCO)C1CCN(CC1)CCC2=CC=CC=C2 1 2.668 2 1 3.43176535378452 4371747 CC1CCC2=C(C1)SC=C2C(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 6.031 1 2 -4.22598056127424 4371715 CNC(=S)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3Cl 1 4.612 3 1 -10.2953924508797 4371649 CCC(C1=CC=CC=C1)C(=O)NC2=NC=C(C=C2)C 1 3.442 2 1 -8.9922332656367 4371580 CC1CCC2=C(N1CC(=O)N3CCC4=C(C3)C5=C(N4)C=CC(=C5)C)C=CC(=C2)F 1 4.814 3 1 -3.67799055232497 4371557 CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=CC=C3)C4=CC=CC=C4)OCC 1 4.885 1 3 -10.9404013749659 4371529 C1CC(OC1)CN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)F)C(=O)N5C=CC=CC5=N3 1 1.457 4 4 0 -26.3258885783511 4371493 C1C2CC3CC1CC(C2)(C3)NC(=O)NN=CC4=CN=CC=C4 1 2.007 4 1 -5.83151621015244 4371474 CC(=NNC(=O)CNC(=O)C1=C(C=C(C=C1)Cl)Cl)CC2=CC=CC=C2 1 3.077 3 2 -10.3145647329138 4371450 C1CC2CC3CC1CC(C2)(C3)C(=O)NC(=S)N4CCOCC4 1 3.482 2 2 -11.1779167650533 4371420 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3 1 2.522 1 4 -19.9335569047439 4371411 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCC(=O)C3=CC=CS3)Cl 1 4.008 2 5 0 -11.6460856467691 4371388 CCNC(=O)NC(=O)C(C)OC(=O)C1=CC=C(C=C1)N2C(=S)SC(=N2)SC 1 4.463 4 4 0 -14.5611268934902 4371327 CC(=O)COC(=O)C1=NN(C(=O)CC1)C2=CC=CC=C2 1 0.741 2 4 0 -14.7271328189757 4371309 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC3=CC=CS3 1 1.391 2 5 0 -25.0178938626016 4371275 COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)COC4=CC=C(C=C4)Cl 1 5.93 4 2 -8.97113858442119 4371246 CC1=CC=CC=C1C2C(=C3NC(=O)C4=C(N3C5=C2C(=O)CC(C5)(C)C)SC6=C4CCCCC6)C#N 1 6.033 3 2 -27.0318137820541 4371237 C1=CSC(=C1)C=NNC2=NC(=O)C(S2)CC3=CC(=C(C=C3)Cl)Cl 1 5.273 3 1 -4.52282365277798 4371160 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F 1 3.863 2 5 0 -15.1000689317749 4371152 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)C)C 1 1.865 4 3 0 -18.8256721533476 4371019 CC1=CC=C(C=C1)NC(=S)N2CCC3=C(C2)C4=CC=CC=C4N3 1 5.491 3 0 -8.64477107676336 4370976 CN1C(=O)C2=C(N=C1NN=CC3=CC=CC=C3)SC4=C2CCC4 1 3.389 4 1 -11.1381356339175 4370954 CC(C)CNC(=O)C1=CC=CC=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3 1 3.974 2 2 -18.5787863396354 4370945 CC(=O)C1=CC(=CC=C1)N2C(=O)CC(C2=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.004 3 5 0 -13.2176230603382 4370849 CC(C(=O)N)OC(=O)C1=CC2=C(C=C1)C(=O)N3CCCCCC3=N2 1 1.396 3 4 0 -13.8785408602661 4370839 CCNC(=NCC)SC1CC(=O)N(C1=O)CCC2=CC=CC=C2 1 2.557 3 2 -7.3165556910785 4370788 CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=C(C=C4)F 1 4.006 2 5 0 -13.9440721815242 4370710 CC1=CC=CC(=N1)C=NNC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.718 4 1 -5.33169763545957 4370704 CC1=C(C=C(C=C1)NC(=O)CCOC2=CC=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 4.336 2 4 -9.47019442684182 4370691 CC(COC)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)OC)OC)N 1 3.444 4 5 0 -14.9947067638289 4370654 C1CN(CCN1C2=CC=CC=N2)C(=O)CSC3=NC=CC4=CC=CC=C43 1 2.952 4 1 -9.06149041122873 4370638 CCCSC1=NC2=C(C3=C(S2)COC(C3)(C)CC)C(=N1)SCC(=O)NCC4=CC=CC=C4 1 5.834 3 2 -25.7915274241704 4370618 C1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 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COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)N3CCCCC3 1 3.664 2 5 0 -10.1203618254341 4364230 CC1=C(C=C(C=C1)NC(=O)C(=O)NCCC2=CNC3=CC=CC=C32)C 1 3.475 3 2 -13.261441086845 4364198 CC1=NC(N=C1C2=CC=CC=C2OC)C3=CC=C(C=C3)F 1 3.757 2 1 2.30437664367784 4364191 C1CC2CC1CC2CC(=O)OCC(=O)N 1 0.922 1 3 0 -1.80494943111034 4364151 CC1CC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.786 3 3 0 -13.0564624141662 4364118 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)N3CCOCC3 1 -1.6e-002 3 5 0 -23.113888035258 4364116 COC1=C(C=C2C3CC4=C(C=NC5=C(C=NN45)C6=CSC=C6)C(=O)N3CCC2=C1)OC 1 2.568 4 3 0 -12.3908190819382 4364115 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC=C2F)SCC(=O)NC3=NN=C(S3)C(F)(F)F 1 3.524 4 3 0 -16.6050710501851 4364069 CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3)C 1 2.834 4 3 0 -21.7065703133811 4364047 CC1CCCC(N1C(=O)CSC2=NN=C(N2C)C3=CC=CO3)C 1 2.741 4 2 -11.998877618935 4364019 CC1=CC=CC=C1NC(=O)C2=CC=CC3=NC4=CC=CC=C4N=C32 1 4.33 3 1 -4.70002280097183 4363986 C1=CC=C(C=C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])F 1 3.548 3 2 -0.340529534389909 4363980 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=CN3 1 3.281 4 1 -10.5546191648662 4363979 C1=CC=C(C=C1)C2=C(SN=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.213 2 2 -2.45068235565646 4363978 C1=CC=C2C(=C1)N=CC(=N2)OC3=CC=C(C=C3)F 1 3.598 2 1 4.85883598424088 4363951 CC1CCCCC1NC(=O)COC(=O)C2=CC=C(C=C2)N(C)C 1 3.085 2 3 -16.8976227875098 4363933 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)COC 1 3.198 3 4 0 -26.289990460842 4363896 CCCCOC1=CC=C(C=C1)C(=O)NN2CCOCC2 1 1.752 2 3 0 -9.60231769710662 4363871 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CC(=O)N5CCOCC5 1 3.582 1 2 -0.795534160538737 4363808 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C 1 3.427 2 5 0 -13.3239100321942 4363776 C1C2=CN=C(N=C2C3=CC=CC=C3O1)NC(=O)C4=CC=CC=C4Cl 1 3.705 3 2 -2.38875236697782 4363706 COC1=CC=CC(=C1)C(=O)NC2=NC(=O)C3=C(N2)CCCC3 1 2.249 3 3 -15.7219755836047 4363512 CCC(C)C(=NNC(=O)CSC1=NC2=CC=CC=C2N1)C 1 3.026 4 1 -9.11865451433326 4363356 CC(C)CNC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)OC)Cl 1 3.979 2 2 -10.1660019866784 4363125 CC1=CC=C(S1)C2C(=C(NC(=O)N2)C)C(=O)NC3=CC=CC=C3OC 1 1.97 3 3 0 -27.5566664148613 4363105 CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN=C(C)C2=CC=C(C=C2)NC(=O)C3CCCC3)C 1 2.572 6 4 0 -6.5181609371004 4363012 C1=COC(=C1)C2=NN=C(O2)NC(=O)C3=CC=C(S3)Cl 1 2.263 3 3 1.67578167354921 4363005 COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=CN2 1 2.181 2 5 0 -21.520213496138 4362950 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.379 4 6 0 -12.7293670330594 4362939 COC(=O)C1=CC(=C(C(=C1)F)N2C=NC=N2)F 1 1.638 3 2 0 -6.62631803430546 4362936 COC(=O)C1=CC(=C(C=C1)N2C=NC(=N2)Cl)F 1 2.288 3 2 -2.29192077243934 4362822 CCC(=NNC(=O)C1=CC=C(C=C1)CN(C)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)OC(F)F 1 5.323 3 4 0 -8.07172298435111 4362818 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C(C(C)C)NC(=O)C3=C(C=CC=C3F)F 1 3.927 3 5 0 -21.4772305311033 4362792 CCOC1=C(C=C(C=C1)CCN2C(=O)C3C4CC(C3C2=O)C=C4)OCC 1 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0 -19.7366319305545 4362281 CSC1=NCCN1C(=O)CC2=CC=CC3=CC=CC=C32 1 3.251 2 1 -6.51962395647569 4362252 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)NC4=NC5CS(=O)(=O)CC5S4 1 3.396 4 4 0 -5.94937054911103 4362251 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC3=NC4CS(=O)(=O)CC4S3 1 2.459 3 5 0 -13.9842349458822 4362250 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)NC4=NC5CS(=O)(=O)CC5S4 1 4.385 4 3 0 -7.36004957033703 4362222 C1=CC=C(C(=C1)CN2C=C(C=N2)N)F 1 1.522 3 0 0 -4.02671139685792 4362162 CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)CCC3=NC4=CC=CC=C4S3 1 4.768 3 3 -4.48317034380928 4362159 CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4)C 1 4.491 4 2 -9.68756810788917 4362155 CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)C#N 1 5.122 4 1 -8.77971943401552 4362031 C1CCC(CC1)NC(=O)CCC(=O)NN=CC2=CC=NC=C2 1 1.15 4 2 0 -12.2443733407115 4362004 C1=CC=C(C=C1)NP(=O)(NC2=CC=CC=C2)OC3=CC=C(C=C3)Cl 1 4.307 2 2 3.55163914094809 4361947 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OC(C)C(=O)N4CCOCC4 1 1.368 4 7 0 -27.2017079341919 4361852 C1C(CNC1=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3 1 1.475 2 3 0 -7.40419167577019 4361794 CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OC(C)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.857 4 4 0 -20.4197174707219 4361643 C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)F 1 3.708 2 2 -12.9606449951667 4361486 CCOC(=O)C(C1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C)(C(F)(F)F)O 1 6.138 2 4 -8.94959695473861 4361464 C1=CC(=C2C(=C1F)C(=O)C(=CN2)C3=C(C=C(C=N3)C(F)(F)F)Cl)F 1 3.987 2 1 2.92137891121536 4361437 CCN1C(=NN=C1SCC(=O)N(CC)C2CCS(=O)(=O)C2)C3=CC=CS3 1 1.832 4 3 0 -24.8727655494362 4361399 COC(=O)CSC1=C2C(=CC(=C1)[N+](=O)[O-])N(N=C2C3OCCO3)C4=CC=CC=C4 1 3.524 3 6 0 -9.88824405620046 4361373 CC1=NC2=C(O1)C=C(C=C2)NC(=S)NCC=C 1 2.915 3 1 -12.3325338044439 4361367 C1CCC2=CC(=C(C=C2C1)N)O 1 2.354 1 1 0.988284468402207 4361335 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CC2=CC=C(C=C2)Cl)N 1 0.941 3 5 0 -14.8298358013905 4361320 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=CC=C3)OC 1 2.132 2 4 -13.2551635499958 4361310 CCN(CC)C1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2C)S(=O)(=O)NC3=CC=CC=C3OC 1 4.267 3 5 0 -12.4824151112676 4361292 C1COC(=CO1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 2.137 2 3 0.739348803817786 4361291 CC1(CC2=C(C(N1)(C)C)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C 1 4.753 3 2 -25.1739178641402 4361279 CCN(CC)C(=S)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC 1 5.254 2 2 -9.77405404677856 4361244 CCN(CC)C1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 3.945 3 4 0 -13.4463927800962 4361209 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)C4CCCCC4)N)C 1 2.789 3 2 -19.2301337033265 4361186 CC1CCCCN1C(=O)C2=CC3=C(O2)N=C4C=C(C=CC4=C3)OC 1 3.502 2 3 -3.9781670285639 4361150 CC1CCCN(C1)C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.053 2 3 -12.1296824920426 4361118 CCOC(=O)NC(=O)CN1C(=O)C2(CCC3=CC=CC=C32)NC1=O 1 1.094 3 5 0 -7.43483491576759 4361104 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)COC4=CC=CC=C4 1 2.513 6 3 0 -23.4858838832728 4361101 CC1=CC2=C(N1)C=CC(=C2)CNC(=O)C3=CC=CS3 1 3.014 2 1 -7.45693692658815 4361097 C1=COC(=C1)CNC(=O)C2=CN=C3N(C2=O)C=CS3 1 -0.185 3 3 0 -17.7427159701409 4361073 CC(=NNC(=O)C1=CC=C(C=C1)OC)CN2C=NC(=N2)[N+](=O)[O-] 1 0.87 6 4 0 -11.2467460184974 4360999 CCC(C)NC(=O)C1=CC2=C(O1)N=C3C=C(C=CC3=C2)OC 1 3.252 2 3 -7.74912354199698 4360970 CC(C)(C)N1C(=O)C2=CC=CC=C2NC(=O)N1CC3=CC=C(C=C3)Br 1 3.624 3 2 -3.00309004899766 4360965 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=CC4=CC=CC=C4C=C3 1 4.939 1 1 -6.69498472776593 4360846 CC(CNC(=O)CC(C)(C)C)NC(=O)CC(C)(C)C 1 2.105 2 2 -13.5950627559978 4360816 CCSC1=NN=C(S1)NC(=O)C2=CC=CC3=CC=CC=C32 1 3.429 3 1 -12.5012129897562 4360814 C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3F 1 3.219 3 1 -8.82922347817755 4360801 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)COC4=CC=C(C=C4)OC 1 2.887 2 3 -0.814369073911087 4360734 C1COC2=C(O1)C=CC(=C2)NC(=O)NCCCCCC(=O)O 1 1.695 2 5 0 -18.5747209276563 4360732 COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC(=O)NC4CCCCC4 1 3.202 2 6 0 -13.21280342493 4360689 CCOC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=COC4=CC=CC=C4C3=O 1 3.49 1 5 -2.51484743274596 4360584 CC1=C(N=C(N=C1C)SCC(=O)NCCC2=CC=C(C=C2)Cl)C 1 3.794 3 1 -9.52114743151782 4360581 CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)N3CCOCC3 1 1.586 2 8 0 -33.3835686658693 4360568 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)CCOC3=CC=CC=C3 1 2.362 3 5 0 -19.3268614949737 4360553 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(C=CC=C3F)F 1 2.279 3 2 -10.2916382750788 4360552 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC(=C(C=C3)OC)OC 1 1.835 3 4 0 -15.3033992922985 4360550 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(C=C(C=C3)OC)OC 1 1.835 3 4 0 -10.2822001414803 4360477 CC1=C(C=C(C=C1)N2C(=O)CN(C2=S)CC3=CC(=C(C=C3)OC)OC)C 1 4.774 2 3 -9.12612620113283 4360476 COC1=C(C=C(C=C1)CN2CC(=O)N(C2=S)C3=CC(=CC=C3)OC)OC 1 3.786 2 4 -8.79864391614069 4360343 COC1=CC=CC=C1N2C(NC3=CC=CC=C3C2=O)C(OC)OC 1 2.569 2 4 -11.0794625264866 4360312 CC1=C(C(=CC=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C)C 1 0.778 2 4 0 -15.6175909890937 4360246 COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC(=CC=C2)[N+](=O)[O-] 1 2.994 3 5 0 -4.53384390793107 4360240 CCC1=CC=C(C=C1)C2=NC(=O)C(=C(N2)C)CCO 1 2.05 2 2 -5.38305481085643 4360239 COCCCN1C=CC(=O)C(=C1O)CC2=CC=C(C=C2)F 1 2.396 1 3 -3.62327841837327 4360235 CC1=CC=C(N1C2=C(SC=C2)C3=CC4=NC(=CC(=O)N4N3)C)C 1 2.184 4 1 -9.49885656935962 4360233 COC1=CC=CC(=C1)C(=O)CC(C2=CC=C(C=C2)F)C(=O)OC 1 3.324 0 4 -5.04647947005224 4360207 CC1=NC2=C(C(=NN2C(=C1)NCCCN3C=CN=C3)C)C4=CC=CC=C4 1 2.338 6 0 -2.43342442787219 4360196 CN(CC1=CC(=O)N2C=CSC2=N1)C3=CC=CC=C3 1 1.857 3 1 0 -9.56178601488709 4360187 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3 1 0.942 4 5 0 -15.4847085354062 4360157 CCOC(=O)CC1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)C 1 3.441 1 4 -9.35365281632556 4360153 CC1=C([N+](=O)C2=C(N1[O-])CCCCC2)C3=CC=C(C=C3)Br 1 2.815 2 2 -3.2491529234948 4360102 CC1(C(=O)N(C(C(=O)N1OCC2=CC=CC=C2C(=O)OC)(C)C)OCC3=CC=CC=C3C(=O)OC)C 1 2.692 2 8 0 -7.35478971563626 4360096 CC1C(=[N+](C(N1O)(C)C(=O)C2=CC=CS2)[O-])C3=CC=CS3 1 2.13 2 3 -4.64847405272598 4360081 CC1=CC=C(O1)C=NNC2=NC3=CC=CC=C3C=C2 1 3.077 3 1 4.75967463387827 4360053 C1=CC(=CC(=C1)Cl)NC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N 1 2.477 6 3 0 0.449022354534606 4360051 CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCC3(CCCCC3C2C4=C(C=CC(=C4)OC)OC)O)C 1 3.504 2 6 0 -15.821661764019 4360023 CC1C(=O)N(C(=NN=CC2=CC=CO2)S1)CC3=CC=C(C=C3)F 1 3.825 3 2 -2.95437701000978 4359989 C1=CC(=CC=C1CNC2=NC=CN=C2)C#N 1 0.866 4 0 0 -3.46240188901458 4359841 CC1=CC=C(C=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C3=CC=C(C=C3)Cl 1 4.028 3 3 -3.92133481031613 4359825 CC1(CC2=C(C(C(=C(O2)N=CN3CCN(CC3)C)C#N)C4=CC=CC=C4)C(=O)C1)C 1 2.677 4 2 -14.2570598303871 4359809 CCOC(=O)C1=C(NC=C1C2=CC=C(C=C2)Br)SC(C)C(=O)NCCC3=CC=C(C=C3)OC 1 5.493 2 4 -8.71906857174471 4359806 CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)SC4=NC5=CC=CC=C5N4C 1 5.242 3 3 -12.8848948674166 4359790 CCOC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1OC 1 4.477 3 3 -17.2836046853732 4359782 CC(C(C1=CC=CS1)N2CCCC2)NC(=S)NC3=C(C=C(C=C3)Cl)Cl 1 6.277 3 0 -4.09833844136292 4359773 C1=CC(=CC=C1NC2=C(C=NC=C2)[N+](=O)[O-])Cl 1 2.788 3 2 1.47665113324577 4359719 C1CS(=O)(=O)CC1NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N 1 1.411 4 4 0 -23.8474434011757 4359649 CC(CS(=O)(=O)CC1=CC=CC=C1)(C2=CC=CC=C2Cl)O 1 3.305 0 3 -5.8048293353547 4359591 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl 1 3.552 2 5 0 -8.40726312236959 4359574 CNC1=NC(=C(C(=N1)NC2=CC=CC=C2OC)[N+](=O)[O-])N 1 1.031 6 3 0 -2.80458807094768 4359520 CN(C)C1=CC=C(C=C1)P(=O)(C(C2=CC=C(C=C2)OC)O)OCC3=CC=CC=C3 1 4.199 1 4 -5.1891787538553 4359491 CC1(CC2=C(CO1)C(=S)N=C(N2CC3=CN=CC=C3)C4=CC=C(C=C4)OC)C 1 2.831 3 2 -7.84677917872924 4359400 COC1=CC=C(C=C1)C(CCNCC2=CC=CC=C2)C3=CC=C(C=C3)F 1 5.201 1 1 -1.28404097735372 4359412 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5 1 3.72 5 3 0 -13.6252486789005 4359383 CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3)F 1 3.679 3 2 -10.4794322541018 4359379 CC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC3CC3 1 1.068 3 3 0 -10.8450216440881 4359350 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 1.749 3 6 0 -23.3504860012251 4359309 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC4=C(N3CCO)C=C(C=C4)Cl 1 4.712 2 4 -3.15297795510137 4358876 CN1C(=NN=C1SC)C2=C(C3=C(S2)C=C(C=N3)C(F)(F)F)C4=CC=CC=N4 1 4.578 5 0 2.34848672830256 4358874 CCOC(=O)C1CNC2=C(O1)C=CC(=C2)S(=O)(=O)CC 1 1.506 1 5 0 -18.3281094137043 4358873 C1=CN(C=C1)C2=C(SC=C2)C(=O)OCC#N 1 2.245 2 2 -9.77987783404858 4358869 CCC1CCCC1=NNC(=O)C2=CC=CC=C2C 1 3.357 2 1 -8.70794912529972 4358820 C1CCC(CC1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O 1 4.018 1 4 -7.07718185762335 4358756 C1CCC(CC1)NC(=O)C2(CC2(Cl)Cl)C3=CC=CC=C3 1 3.676 1 1 -6.06694233579117 4358755 CC1C(=O)N(C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)CC4=CC=CC=C4 1 3.9 2 2 -7.58937474272898 4358715 CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)NC3=CC(=CC=C3)F)[N+](=O)[O-])N 1 3.035 6 2 0 4.87587411866076 4358655 CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3 1 3.517 2 2 -5.35348913833778 4358575 COC1=CC(=CC=C1)OCCN2C=C(C3=CC=CC=C32)C=NNC(=O)OC 1 3.777 3 4 0 -7.40367098040626 4358566 C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Br)N=C(N2CC(=O)NN)C4=CC=CC=C4Br 1 4.305 4 1 -5.68796889197213 4358561 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C3C(=CC=C2)N=CC=N3 1 2.336 4 2 0.60346146647947 4358528 CN1C(=O)C(NC1=S)CCC(=O)N 1 -0.303 3 2 0 -7.94038268473813 4358523 CC1(C(=C(OC2=C1C(=O)OC3=CC=CC=C32)N)C#N)C(OC)OC 1 1.156 2 5 0 -7.75203011689789 4358522 COC1=C(C=C(C=C1)C=NOC)OC2=NC(=CC(=N2)OC)OC 1 3.027 3 5 0 -6.66952071503568 4358521 CC1=C2C(C(OC2=C(C=C1)[N+](=O)[O-])(C)C)N3CCCCC3 1 3.614 2 3 -3.17869369680762 4358488 CCC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CN(C)C3=CC=CC=C3)C4=CC=CC=C4 1 3.478 9 2 0 -25.6752858516754 4358481 C1=CC=C(C(=C1)NC(=O)CS(=O)C2=CC(=CC=C2)Cl)Cl 1 3.225 1 2 0.825894521630459 4358480 CN1C(=CN=C1SC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)O 1 3.499 3 2 0.990277621884677 4358479 C1=CC(=C(C=C1Cl)Cl)C(C#N)C2=NNC(=O)C=C2 1 2.656 3 1 -3.40533227612241 4358473 CC1=C([N+](=O)C2=C(N1[O-])C(CCC2Br)Br)C 1 1.14 2 2 0 -1.8476990151812 4358441 CC(=O)NC1=NC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 4.75 4 3 0 -5.88799070943356 4358416 C1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NC3=CC(=CC=C3)F)[N+](=O)[O-])N 1 2.836 6 2 0 3.56745763618744 4358366 CCC(C1C(C(=O)OC1(C)C)C(=O)OCC)C(=O)C2=C(C=C(C=C2C)C)C 1 4.688 0 5 -8.83344942749047 4358402 CCC(=O)N(CC1=CC(=O)NC2=CC=CC=C21)C3=CC=CC=C3OC 1 2.773 2 3 -13.8713910909709 4358388 COC1=CC=CC=C1C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5CCCCC5)N 1 4.494 6 2 0 -8.02296889928649 4358345 CSC1=C(C(C(C(N1)(C(F)(F)F)O)C(=O)C2=CC=CS2)C3=CC=CC=C3Cl)C#N 1 5.019 2 2 -7.25186413870731 4358312 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3C 1 3.639 3 2 -4.62000749032986 4358292 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)OC 1 2.398 2 6 0 -11.4383707803528 4358178 COC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-])Cl 1 4.021 4 4 0 -7.76558986413454 4358139 CNN=C(CC1=NC2=CC=CC=C2N1)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.854 5 2 0 -3.63532370222534 4358109 CC1=C(C(=CC=C1)NC(=O)C2=C(NC(=O)NC2C3=CC=CC=C3OC)C)C 1 2.95 3 3 -29.0720999236802 4358102 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCCCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 1 4.492 4 4 0 -5.46778875683779 4358077 CC1=CC=C(O1)C(C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC 1 4.385 0 3 -4.4289339321836 4358054 CC1=C(SC(=N1)NN=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C 1 2.017 4 3 0 -5.84520343929571 4358022 CSC1=NSC(=N1)SCC(=O)NC2=CC=CC=C2 1 2.941 3 1 -10.2558760935931 4358017 CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCCC4=CC=CC=C43 1 2.829 2 5 0 -20.9430415739172 4357675 C1C(OC2=CC=CC=C2O1)C(=O)NC3=NC(=CS3)C4=CC=CC=N4 1 2.609 3 3 2.25464682729067 4357669 CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)C)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 5.765 2 3 -6.14594343228929 4357650 COC1=CC=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N 1 1.821 4 4 0 1.15301395777977 4357638 CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC4(CC3)OCCO4)C(=O)N1CC5=CC=CC=C5OC 1 4.41 3 6 0 -26.3454739501504 4357623 CN1C(=O)C(N(C1=S)CCC2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)F 1 3.789 3 3 -10.8425223037524 4357619 CCN1C(=O)CC(C1=O)NNC(=O)C2=CC=C(C=C2)Cl 1 0.678 3 3 0 -6.66966752363932 4357595 CC1C(=O)N(C(=O)CS1)CC(=O)NCC2=CC=CC=C2 1 0.658 2 3 0 -18.1847953461327 4357523 CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCOC 1 3.86 4 1 -13.1778326875463 4357521 COC1=CC=C(C=C1)CCN(C2CC(=O)N(C2=O)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)F 1 4.033 2 4 -4.08318028501273 4357477 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CC5=CC=CO5 1 1.007 1 3 0 -7.75125135568789 4357362 CC1CC(CN(C1)C(=O)C2=CC3=C(O2)N=C4C=CC(=CC4=C3)OC)C 1 3.763 2 3 -3.21346977827572 4357318 CC1=C(C=C(C=C1)NC(=O)CNCC2CCCCC2)S(=O)(=O)N(C)C 1 2.212 3 3 -12.4537654192266 4357288 CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCC3CCC(CC3)C(=O)O 1 4.615 1 6 0 -22.3117476791293 4357194 CC(C)CN1C(=O)C2=C(N1)C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O 1 3.183 2 3 -8.82409293374142e-003 4357136 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC3=C(C(=C(C(=C3F)F)F)F)F 1 2.57 3 3 -15.1696149883476 4357129 CC1=C(C(C(C(=S)N1)(CC=C)C#N)C2=CC=CC=C2Cl)C(=O)OCC=C 1 4.481 2 2 -21.4624803157626 4357127 CC1(CC2(CCO1)C(CC(=O)O2)C(=O)NC3=C(C=CC=C3Cl)Cl)C 1 2.359 1 4 -8.93093933100662 4357104 CC1=C(OC2=C1C=C(C=C2)F)C(=O)N(CC3=CC(=CC=C3)Br)C4CCS(=O)(=O)C4 1 4.37 1 4 1.38796984353755 4357041 CC1(C(N(C(=S)S1)N=CC2=CN=CC=C2)N(C(=O)NC3=CC=CC=C3)O)C 1 3.676 5 2 0 -3.62516393059656 4356964 COC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C(=S)N2NC(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 3.687 4 4 0 -9.39990991981295 4356895 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCN(CC4)CC)C(=C2)C 1 4.414 6 0 -8.00552103749935 4356799 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)CC3=CC(=C(C=C3)OC)OC 1 1.823 3 5 0 -13.4090166758558 4356778 C1COC(=CO1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)F 1 0.574 3 4 0 -5.43436677643908 4356771 CCCCN1C2=CC=CC=C2N=C1CNC(=O)C3=CC=CS3 1 3.818 3 1 -10.7721382452709 4356666 CCN(CC)C(=O)COC1=CC2=C(C=C1)OC(CC2=O)(C)C 1 2.017 1 4 -15.626763430326 4356659 COC1=NC(=NC(=N1)NCCO)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.096 6 4 0 -4.95537638565651 4356619 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)SCCC(=O)O)N 1 2.333 1 4 -5.33700863542101 4356534 COC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CO4 1 3.492 3 5 0 -9.19497653536529 4356495 COC1=C(C(=CC(=C1)C=NNC(=O)OC)Cl)OCC2=CC=CC=C2F 1 4.082 2 4 -8.74728631820307 4356457 CCCCCCC(C)N1C(=CC(=O)N1)N 1 1.777 3 1 0 -6.10312388958737 4356406 C1=CC(=CC(=C1)Br)NC(=O)C2=CC3=C(C=C2)SN=N3 1 3.536 3 1 -6.61738535782704 4356404 CC(CCC1=CC=C(C=C1)O)NC2C3=CC=CC=C3C4=CC=CC=C24 1 5.164 1 1 2.42131671892019 4356276 CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NOC(=C3)C)O)C(=O)C4=CC=C(O4)C)OC 1 2.957 2 7 0 -24.4743108616387 4356242 CC(C)(C)N(C)CC#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O 1 4.354 1 1 -2.27030774585899 4356144 CC1=CC=C(C=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.181 3 4 0 -12.2231627905531 4356160 CC1=CC2=NC(=C(N2C=C1)CN3CCOCC3)C4=CC=CC=C4 1 2.98 3 1 -2.56834084266953 4356156 C1=CC(=CC(=C1)Cl)CNCCNCC2=CC(=CC=C2)Cl 1 3.882 2 0 2.10211998574389 4356112 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)C 1 4.626 1 4 -10.0644873141738 4356102 CC1(CC2=C3C(=C(SC3=NC(=C2CO1)N4CCOCC4)C(=O)NC5=CC(=CC=C5)Cl)N)C 1 3.584 4 3 0 -11.53360052608 4356090 CC1=CC=CC=C1CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CS4 1 5.196 3 1 -12.6636453274866 4356069 CCN(CC)C1=CC=C(C=C1)C=NN=C2N(C(=O)C(S2)CC(=O)O)CC=C 1 3.498 4 3 0 -21.4103340472616 4356003 COC1=CC=CC=C1NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4 1 3.052 2 4 -9.75128209604736 4355998 CC1=CC(=C(N1CCOC)C)C(=O)COC2=C(N=CC=C2)[N+](=O)[O-] 1 1.812 3 5 0 -13.1813528757761 4355976 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC3=CC(=CC(=C3)OC)OC 1 0.21 5 7 0 -25.0756758595461 4355783 CC(C)CC(C(=O)N1CCOCC1)N2CC3=CC=CC=C3C2=O 1 1.666 2 3 0 -15.0087820384203 4355782 CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)CCCC2 1 2.147 3 2 -20.9948105234231 4355749 CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 2.972 4 4 0 -23.7626375804443 4355706 CC(C)OCCCNCC(C1=CC=CC=C1)O 1 1.514 1 2 0 -4.13618392790915 4355644 COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3N2 1 3.183 2 2 1.8630945577504 4355579 CCOC(=O)C1=NOC(=C1)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.621 2 5 0 -3.57895915410044 4355521 COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC=CC=C4C=C3)OC 1 3.722 2 2 5.06150695748322e-002 4355519 CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)N(C)C 1 4.567 2 6 0 -15.5698056404686 4355503 CCOC1=CC=C(C=C1)C(=NNC(=S)NCCC2=CC=CC=C2)CCC(=O)O 1 4.294 3 3 -14.1212134268078 4355422 COC1=CC(=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)F)CCC(=O)O)OC 1 4.679 1 4 -4.79975484069145 4355373 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC=CO3 1 0.572 2 6 0 -15.1342054795163 4355323 CC1CCCC(C1C)NC(=O)COC(=O)COC2=CC=C(C=C2)Cl 1 3.674 1 4 -10.9273135567326 4355320 CC(C1=CC=CC=C1)NC2(CCCCC2)CC(=C)C 1 4.844 1 0 -6.2037184889424 4355298 CCNC(=S)NN=C(C)C1=CC=C(S1)Cl 1 2.973 3 0 -5.4501968962412 4355162 CCNC(=O)NC(=O)C(C)OC(=O)CCCSC1=NC2=CC=CC=C2S1 1 2.946 3 4 0 -15.3284534199412 4355159 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4 1 3.546 6 3 0 -21.795348481982 4355075 COC1=CC2=C(C=C1)C(=C(S2)C(=O)NN=C3CCCC(=O)C3)Cl 1 3.208 2 3 -4.40309437989351 4355023 CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OC)[N+](=O)[O-])C 1 3.406 5 4 0 -7.71969604134164 4354999 CCC(COC(=O)NC1=CC=C(C=C1)C)N2C(SCC2=O)C3=CC=C(C=C3)Cl 1 5.126 2 3 -9.32628171585279 4354936 COCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)[N+](=O)[O-] 1 3.583 3 4 0 -19.907267890751 4354875 C1=CC(=CC=C1C(=O)N)NS(=O)(=O)C2=CC=C(S2)Br 1 1.674 2 3 0 -4.93635819778355 4354855 CN1CCCC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.388 1 1 0.827593081583599 4354854 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C(=O)C(NC2=O)(C)C)O)C3=CC=CC(=C3)C 1 2.645 3 5 0 -13.4963995287207 4354817 CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CC=C)C)[N+](=O)[O-] 1 2.842 3 4 0 -11.4489978259518 4354751 CC1CC2=CC=CC=C2N1CC(=O)NC(=O)NC3CCCC3 1 2.686 3 2 -10.4110624284538 4354745 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 1.704 3 4 0 -20.2805065888113 4354712 CC(C)CC1C2C(C(=O)N(C2=O)C3=CC=CC=C3)ON1C4=CC=CC=C4 1 3.89 2 3 -8.4836383467537 4354692 C1CC(C2=CC=CC=C2C1)NC(=O)CN3C(=O)C4CC=CCC4C3=O 1 2.093 2 3 -9.39481620255505 4354688 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4 1 2.919 3 5 0 -20.0316162098315 4354634 CC1=CC=CC=C1N2C=NC3=C(C2=O)SC4=NC(=C5CCCCC5=C34)N6CCOCC6 1 5.123 4 2 -9.75693083610036 4354577 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC=NC3=CC=CC=C32 1 2.434 3 3 -18.2445085954347 4354570 CC(C)N(C(C)C)C(=O)COC(=O)C(CCSC)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-] 1 1.574 4 8 0 -33.0882973908978 4354530 CCCCCC1=NN=C(S1)NC(=O)C2COC3=CC=CC=C3O2 1 3.157 3 3 -10.4905603920982 4354517 CC(=NNC(=O)CN1CCN(CC1)CC2=CC=CC=C2)C3=CC=CS3 1 2.499 4 1 -6.35379911333697 4354468 CNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)Cl)N3CCCC3 1 4.951 4 2 -7.40303080751798 4354434 C1CCN(CC1)C(=S)NN=CC2=CC=C(C=C2)Br 1 4.433 3 0 -8.15999683382749 4354362 CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 3.176 3 3 -5.26079841268473 4354313 COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(O2)Br)OC 1 2.58 1 6 0 -16.0774477568954 4354154 CC1=C(C=CC(=C1)C(C(=O)OC)(C(F)(F)F)O)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 5.789 2 4 -8.73911839358157 4354153 CC1=CC=C(C=C1)NC2=NN=C(C(=O)N2N)C(C)(C)C 1 2.463 5 1 -3.00404941683409 4354050 CC1=C(C=CC=C1Cl)NC(=O)CC2C(=O)N=C(S2)NCCOC 1 2.345 3 3 -12.328184544986 4354036 CCS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C 1 1.649 3 4 0 -7.86866243207248 4353993 CC1=C(C=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NN=C(C)C(C)(C)C)Cl 1 3.974 4 2 -12.5850256055916 4353821 CCCCCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C 1 4.22 5 2 0 -2.25940844239282 4353814 C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O 1 1.635 2 6 0 -18.2528264489061 4353737 CN(C1=CC=C(C=C1)C(=O)NN=CC2=C(C(=CC=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.344 3 5 0 -12.5179296228941 4353651 COC1=C(SC=C1)C(=O)NCCN2CCOCC2 1 0.801 2 3 0 -11.1958804014554 4353648 C1=C(C=NC(=C1Cl)NCCNS(=O)(=O)C(F)(F)F)C(F)(F)F 1 3.753 3 2 1.43530679201601 4353645 CCOC(=O)C(CC1=C(C=CC=C1Cl)F)C2=CC=NO2 1 3.635 1 3 -7.98853484476611 4353601 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)C3=CNC(=C3)C(=O)NCCCN4CCOCC4 1 3.591 4 4 0 -13.6912340030837 4353600 CC1=C(C(=O)C=CN1C2=C(C=C(C=N2)C(F)(F)F)Cl)OCC3=CC=CC=C3 1 4.337 2 2 0.957678143496778 4353483 CC1=C(C(=NN1CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)C)[N+](=O)[O-] 1 0.143 5 5 0 -14.4689521037536 4353515 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C 1 3.947 2 4 -6.18601162651751 4353476 CC(C)N(C(C)C)C(=O)COC(=O)C(CCSC)NS(=O)(=O)C1=CC=C(C=C1)Cl 1 2.642 2 5 0 -21.1231788382656 4353425 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 2.007 2 6 0 -28.7827663803627 4353397 CCOC1=CC=C(C=C1)NCC(=O)NN=C2CC(CC=C2C)C(=C)C 1 3.588 3 2 -10.3629743362057 4353385 CC1=CC=C(C=C1)C(=O)NC(CC(=O)OC)C2=CC3=C(C=C2)OCO3 1 2.859 1 5 -11.2178391716012 4353340 CN(CC1=CC=C(C=C1)OC)C(=O)C2=CC(=CC=C2)C(=O)N(C)CC3=CC=C(C=C3)OC 1 3.792 2 4 -5.74332308750247 4353288 CCCCCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 2.189 4 4 0 -28.6662005010707 4353250 CC1=CCC(CC1=NNC(=O)COC2=CC=C(C=C2)Cl)C(=C)C 1 4.095 2 2 -3.88080244511813 4353206 C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC(=CC=C3)S(=O)(=O)N 1 2.569 3 4 0 -15.0590179213366 4353184 CC1(CC2=C3C4=C(C(=NC=N4)NCCCN(C)C)SC3=NC(=C2CS1)N5CCOCC5)C 1 3.261 6 1 0 -8.61734265046031 4353133 CCN(CC(=O)NC1=CC=C(C=C1)OC)CC(=O)N2CC(=O)NC3=CC=CC=C32 1 0.937 4 4 0 -15.5188651992696 4353120 C1CCN(C1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-] 1 1.523 6 3 0 -0.111677979551824 4353065 C1=CC(=CC=C1CC(=O)C2=CNC(=C2)C(=O)NCCCN3C=CN=C3)Cl 1 2.33 4 2 -1.81146828512024 4353061 CCCNS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.169 2 3 1.76639036917977 4353060 CC1=C(N=C(S1)C2=CC=NC=C2)OC(=O)C3=CC=CC=C3 1 3.176 2 2 -0.402327474255025 4353001 CC(C)C(C(=O)NC1=CC=C(C=C1)N2CCOCC2)NC(=O)C3=CC(=CC(=C3)OC)OC 1 2.818 3 5 0 -21.7541178317631 4352996 CN(C)C(CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C2=CC=CC=C2 1 4.226 3 2 0.761632998022209 4352932 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.304 3 3 -18.5614004236697 4352908 CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=CC=C3OC)C4=CC=CC=C4 1 2.801 3 5 0 -9.71747962412784 4352903 CC1=CC=C(C=C1)N(CC(CN2C(=O)C(NC2=O)(C)C)O)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.053 4 7 0 -15.3355539195293 4352755 CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N 1 2.018 6 3 0 -1.58419351158103 4352722 C1COC2=C(O1)C=CC(=C2)C=NNC3=CC=CC=N3 1 2.623 3 2 0.160447900018921 4352593 CC(C)CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)CC(C)C 1 3.507 2 3 -9.39127366236873 4352490 COC1=CC=C(C=C1)NC(=O)C2CC(=O)N=C(S2)NNC(=O)C3=CC=C(C=C3)Cl 1 2.807 4 4 0 -6.59955559071359 4352469 C1CCC(CC1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.804 2 3 -21.5882047505913 4352447 CC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NCCC3=CC=CC=C3 1 3.27 1 2 -7.57368830100507 4352409 CC(C)C(C(=O)OCC(=O)NCCC1=CC=CC=C1)NC(=O)C2=CC=CO2 1 2.432 2 5 0 -22.9668588620759 4352333 CC1CN(C2=NC3=C(N2C1)C(=O)NC(=O)N3C)C4=CC=CC=C4 1 1.684 5 2 0 -6.02881221844182 4352315 CC1=C(SN=N1)C(=O)NN=CC2=C(C(=C(C=C2)OC)OC)OC 1 1.753 4 4 0 -12.2677248223082 4352312 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NCC3=CC=CC=C3OC)C 1 2.189 3 4 0 -13.1843678961871 4352306 C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)F 1 3.119 3 3 -5.14684318524622 4352280 CC(C(=O)NC(=O)N)SC1=CC=C(C=C1)NC(=O)C 1 0.61 3 3 0 -8.57249260253991 4352278 CCOC1=CC=CC=C1NC(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2 1 2.542 4 4 0 -11.805567811231 4352236 COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4CCCO4 1 1.894 5 2 0 -1.2041385713693 4352233 CN(C)CCCNC(C(Cl)(Cl)Cl)NC(=O)C1=CC=CS1 1 2.592 3 1 -11.7368583626447 4352139 CC(=O)NC1=C(N=C(S1)NN=CC2=CC=CC=C2Cl)C3=CC=CS3 1 3.618 4 1 -2.86018131765067 4352112 CC1=CC(=CC=C1)N2C(=O)CC3(C2=O)CC(=NN3C(=O)C)C(=O)OC 1 0.612 3 5 0 -7.93688284565164 4352108 COC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 1 1.989 2 5 0 -16.9328094488426 4352103 CC1CC(C(CN1)C)O 1 4.3e-002 1 1 0 -0.878300068097551 4351969 C1CCCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=CC(=CC=C3)F 1 2.844 2 2 -6.33122020969776 4351961 C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)SC(F)F 1 5.208 3 1 -2.92659870769707 4351943 C1=CC=C(C=C1)C2=NN(C=C2C=NNC3=C(C=C(C=C3)C#N)[N+](=O)[O-])C4=CC=CC=C4 1 5.395 6 2 0 6.85775342748868 4351942 C1=CC=C(C=C1)C=NNC2=C(C=C(C=C2)C#N)[N+](=O)[O-] 1 3.222 4 2 -4.179345911731 4351913 CC1=CC(=CC=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=O)N5C(=CC=CC5=N4)C 1 3.126 6 2 0 -20.6579462071524 4351845 C1CC1C(=O)N2CCN=C2SCC3=CC=C(C=C3)F 1 3.191 2 1 -13.1066746727254 4351844 CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 2.246 4 4 0 -21.2978568557797 4351804 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)NC(=C3)C 1 3.249 2 2 -1.10904553123187 4351781 CC(=O)NC1=CC=C(C=C1)N2C(SCC2=O)C3=C(C=CC=C3Cl)F 1 3.229 2 2 -17.4398245604237 4351780 CC(=O)NC1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3OC2=O 1 1.551 3 4 0 -9.39941709187814 4351764 CC(=NNC1=C(C=C(C=N1)C(F)(F)F)Cl)C2=CC=NC=C2 1 3.273 4 0 4.45190401036766 4351752 CC1CN=C(S1)N(C(C)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 4.555 3 1 -7.66049623015717 4351721 CSC1=NN=C(O1)C2=CC3=C(S2)C4=CC=CC=C4CC3 1 4.576 2 1 -5.05324821473796 4351717 CC1=C(C(=O)NC(=C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.342 1 3 -6.29496904877383 4351689 CCN(CC)C(=O)C(=O)C1=CC=CN1C2=CC=C(C=C2)C#N 1 2.873 3 2 -6.39221433635768 4351656 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=NC=CS3)CC4=CC=CC=C4 1 2.546 4 2 -18.5588423460168 4351636 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CC5CCCO5)C 1 2.67 4 4 0 -27.3793431703276 4351577 CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC(=CC=C4)OCC(=O)O)S3)C)C(=O)NC5=CC=CC=C5 1 4.83 3 6 0 -32.2517450817283 4351566 CCN1C=C(C2=CC=CC=C21)SCC(=O)NC3=NOC(=C3)C 1 2.995 3 2 -19.4923463352197 4351551 CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)OCC)C5=CC=CC=C51 1 4.727 6 2 0 -9.5706233696221 4351492 C1CN(C(=N1)SCC2=CC=C(C=C2)Cl)C(=O)C3=CC=CS3 1 4.509 2 1 -12.3044200765387 4351444 CCCN1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.16 3 6 0 -29.8017066347695 4351358 COC1=CC=CC(=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)C(=O)O)SC=C3 1 4.016 3 5 0 -28.6568256824545 4351291 C1CS(=O)(=O)CCN1CC2=CC(=CC=C2)Cl 1 1.984 1 2 0 1.34906426377114 4351260 C1=CC(=CC=C1OCC(=O)NCCCN2C=CN=C2)Br 1 1.425 3 2 0 -6.83492463999187 4351184 COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.613 3 5 0 -5.9901688286265 4351179 C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Br 1 3.386 2 4 -1.56604923699278 4351139 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CS2 1 3.437 1 3 -14.970987934234 4351083 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=C(O3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.801 5 7 0 -12.0074165059372 4351062 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=C(C=C4)OC)F)C(=O)O 1 3.941 4 5 0 -10.8779456590808 4350992 CCC(C)C(=NNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C 1 1.94 4 4 0 -11.5838341237274 4350979 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35 1 4.465 2 3 -6.25823776453052 4350969 CC1=C(C=C(C=C1)C(=O)NN2CCOCC2)[N+](=O)[O-] 1 0.82 3 4 0 -11.4211670363036 4350931 CN1CCC2=CC=CC=C2CC3=C(CC1)C4=CC=CC=C4N3 1 4.437 2 0 1.81375845428239 4350922 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3 1 2.975 3 3 -10.9471030681052 4350920 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC3CS(=O)(=O)CC3S2 1 1.749 4 3 0 -14.2177575252576 4350868 C1=CC2=C(C(=C1)C=NNC3=CC=C(C=C3)C(=O)O)N=CC=C2 1 3.264 3 2 -0.640439996866189 4350743 COC1=CC=C(C=C1)CCN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=CC=C4)C(=O)N5C=CC=CC5=N3 1 2.781 4 4 0 -20.8389694210235 4350734 COC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3 1 2.48 3 4 0 -16.5223652535476 4350714 CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.147 3 5 0 -16.8931529953553 4350533 CC1=CC=CC=C1NC(=O)C23CC4CCC2(C4(CO3)C)C 1 2.843 1 2 -7.03901404578623 4350514 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 1.797 4 4 0 -11.6507733881908 4350512 CC1=C(C=CC(=C1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C)[N+](=O)[O-] 1 2.249 4 4 0 -14.9881046318268 4350511 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CC=C3F 1 2.074 3 2 -11.8495359135721 4350510 CC1=CC(=C(C=C1C(=O)NN2C(=NC3=CC=CC=C3C2=O)C)C)C 1 3.327 3 2 -8.28024718632224 4350509 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3CCC(CC3)C(C)(C)C 1 3.496 3 2 -12.1278691935337 4350508 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=C(C=C3)C(C)(C)C 1 3.269 3 2 -7.75429479358081 4350501 C1CCC(C1)NC(=O)C(C2=CC=C(C=C2)Cl)N3CCOCC3 1 2.853 2 2 -8.3250482250272 4350492 CC1(C2CCC1(C(=O)N(C2=O)CSC(=S)NN=CC3=CC=C(C=C3)OC)C)C 1 4.325 3 3 -8.88766409533488 4350480 CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-] 1 1.961 2 5 0 -10.5933303205254 4350413 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.763 4 4 0 -13.8600883456515 4350412 CCC1=CC=C(C=C1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C 1 2.811 3 2 -10.5718670784712 4350340 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 2.637 3 6 0 -12.9245095290738 4350328 CC1=CC=C(O1)C=NNC(=S)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 2.743 4 3 0 -13.1481300960713 4350307 CC(C)C(=NNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])C 1 1.583 4 5 0 -19.7481897867037 4350305 CC(C)CN(CC(C)C)C(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C32 1 4.395 2 3 -23.6814099892509 4350290 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CCOC)C4=CC=C(C=C4)Cl 1 5.767 4 3 0 -14.692150657201 4350218 CC1=NN2C=C3CCC4=C(C3=NC2=C1)C=CC(=C4)OC 1 2.917 3 1 2.6038994710547 4350132 CC1=CC=C(C=C1)CN2C3=C(C=C(C2=N)C(=O)NCC4CCCO4)C(=O)N5C=CC=C(C5=N3)C 1 2.129 5 3 0 -25.2747836086981 4350120 COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC4=CC=CC=C4S3)OC 1 3.216 2 4 -6.35458856605686 4350077 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43 1 3.078 3 1 0.238574283621638 4350063 CC(=O)N(CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C3=CC=CC(=C3)C(=O)O 1 1.343 3 7 0 -10.6048778683543 4349962 CC1=C(C=C(C=C1)C(=O)NCC(=O)NN=CC2=CC=CS2)[N+](=O)[O-] 1 2.077 4 4 0 -17.4243664412399 4349932 CCCCNC(=O)OC1=NOC(=C1)CCl 1 2.593 2 3 -9.16956130685469 4349864 COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.634 2 6 0 -24.9625772349928 4349683 CC(=NNC(=O)C1=CNC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4 1 2.725 3 3 -5.33537977218511 4349596 CC1=CC2=CC=CC=C2N1CCNC(=O)C3=CC=CS3 1 3.285 2 1 -12.327539009277 4349592 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC2=NSN=C2N3CCOCC3 1 1.501 5 5 0 -11.1325827296915 4349586 C1CCC(CC1)NC(=O)CSC2=NN=C(O2)COC3=CC=C(C=C3)Cl 1 3.63 3 3 -18.9755599009859 4349584 CCCC(=O)NC(C)C1=NC2=CC=CC=C2N1 1 2.273 3 1 -12.2929291220132 4349498 C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.051 2 6 0 -11.4723257814059 4349495 CC1=C(C=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C)[N+](=O)[O-] 1 2.202 4 5 0 -12.5557956939382 4349375 CCOC(=O)N1CCN(CC1)C(=O)CN2C=CC3=C(C2=O)C=CC=C3OC 1 0.39 3 5 0 -11.3526615973292 4349331 C1=CC(=CN=C1)C2=CC3=C(C=C(C=C3N2)[N+](=O)[O-])[N+](=O)[O-] 1 2.571 4 4 0 3.13365192679647 4349231 CC1=CC(=CC=C1)NCC(=O)NN=C(C)C2=CC=C(S2)Br 1 3.331 3 1 -6.89650731567172 4349172 CCOC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CC=CS2 1 4.156 2 2 -15.690374206938 4349105 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.187 4 4 0 -18.8187624063394 4349002 CC1=C(C(=CC=C1)C)NC(=S)N(CC2=CC=CS2)C3CCCC3 1 6.746 2 0 -10.0525026579781 4349001 CCC1=CC=CC=C1NC(=S)N(CC2=CC=CS2)C3CCCC3 1 6.716 2 0 -10.1177806877618 4349000 COC1=CC=CC=C1NC(=S)N(CC2=CC=CS2)C3CCCC3 1 5.757 2 1 -11.5291937617932 4348950 CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C 1 4.758 1 5 -8.47089072156876 4348949 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)OC 1 3.258 1 4 -10.1089959483004 4348888 CC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3 1 5.55 3 0 -10.9533653398483 4348886 CC1=CC=CC=C1NC(=S)N(CC2=CC=CS2)C3CCCC3 1 6.26 2 0 -10.5621717902302 4348885 CC1=CC=CC=C1NC(=S)N(CC2=CC=CS2)C3CCCCC3 1 6.716 2 0 -10.9166403043983 4348883 C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2CCC(=O)OCC(=O)NC4=CC(=CC=C4)Cl 1 4.76 3 3 -5.4855929861393 4348825 CCCC(C)NC(=O)C1=CC(=CC=C1)OC2=CC=CC=C2 1 4.304 1 2 -10.0053744205718 4348822 C1COC(=O)C1OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.791 2 8 0 -15.195773841784 4348742 CC1=CC(=C(C=C1)C)NC(=S)NN=C2CCC3=CC=CC=C32 1 5.364 3 0 -9.11903890647772 4348710 CCN1C=C(C(=N1)C)C=NNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 1 3.846 4 1 -4.64104318070996 4348659 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=NN2C)S(=O)(=O)N(C)C 1 0.463 6 3 0 -26.4936013769792 4348656 CCNC(=O)CC1C(=O)N(C(=NC2=CC(=C(C=C2)C)[N+](=O)[O-])S1)C 1 2.261 4 4 0 -14.2245291502611 4348576 COCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.192 4 7 0 -28.2152779023386 4348546 CC(=NNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2)C3=CC=NC=C3 1 1.787 4 3 0 -10.8361622849934 4348468 C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)C4COC5=CC=CC=C5O4 1 2.651 3 3 -1.91423276921871 4348397 C1CC(=O)N(C1)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)NC2=S 1 2.649 4 3 0 -26.1322593555509 4348362 CCCCSC1=C(C=C(C(=O)N1)C(=O)OCC)C#N 1 2.231 2 3 -11.9288758237162 4348171 CC1=CC(=CC=C1)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC 1 5.303 2 3 -6.28832107885313 4348151 CC(=NNC(=O)C1=CC=CC=C1OC)CC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 3.489 4 3 0 -9.04566366502352 4348097 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CO5)C6=CC=CO6 1 3.144 6 3 0 2.86679513953941 4348050 CCC1CCCCN1C(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)Cl 1 3.961 3 2 -11.1945075914858 4347870 CC(=NNC(=O)COC1=CC=CC=C1F)C2=CC=C(C=C2)N3CCOCC3 1 2.554 3 3 -7.65849958039656 4347854 COC1=C(C=C2CN(CCC2=C1)CC(=O)NC(=O)NCC3=CC=CC=C3)OC 1 2.368 3 4 0 -14.5587190858692 4347757 CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C=NNC3=NC(=NC=C3[N+](=O)[O-])N 1 3.35 7 2 0 2.64158409616954 4347756 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCCC3 1 1.648 3 5 0 -20.4176039597059 4347626 CC1=CC(=CC(=C1)C(=O)N(C2=CC=CC=N2)C(C)C3=CC=CO3)C 1 4.43 2 2 -6.78819040826166 4347607 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC=NN3 1 1.83 5 3 0 -27.2340026513261 4347481 C1C(C(=O)NO1)NC(=O)OCC(Cl)(Cl)Cl 1 0.474 2 4 0 -8.01585904580594 4347464 CC(=NN1C(=CSC1=NCC=C)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=CC=N4 1 2.321 5 2 0 -6.73482273485731 4347383 CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3CCCC3 1 2.817 2 2 -11.1392130741228 4347363 CC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C4COC5=CC=CC=C5O4 1 3.357 3 3 -3.73236636309748 4347191 CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)N3CCCC4=CC=CC=C43 1 4.031 4 2 -22.6935027854482 4347170 C1CC1C(=O)NC2=CC3=C(C=C2)OCO3 1 1.476 1 3 0 -5.80489320977958 4347167 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC=C(C=C2)[N+](=O)[O-] 1 2.894 3 6 0 -14.1894606768242 4347117 CC1=CC(=C(C=C1)C)C(C)NC(=O)C2CC=CCC2C(=O)O 1 3.173 1 3 -7.80961747503517 4346811 CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCOCC3 1 1.179 2 4 0 -6.60438971157615 4346801 CCOC(=O)CC(=O)NN=CC1=C(N(C(=O)N(C1=O)C)C)N 1 -1.393 5 5 0 -15.3441543015943 4346718 CC1CCN(CC1)CCCNC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCC(CC4)C 1 1.604 5 4 0 -30.8791519588236 4346689 CCOCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCOCC 1 1.91 3 4 0 -15.776756563939 4346615 CC1CCN(CC1)CC(C)CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=C(C=CC(=C4)C)C 1 4.966 3 2 -14.2626178106624 4346587 COC1=CC=CC=C1C2=NC(CN2C3=CC=CC=C3)C4=CC=CC=C4 1 4.495 2 1 -0.330067560262604 4346567 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)C 1 4.198 2 5 0 -22.9172800899568 4346376 CCNC(=S)NC1=C(C=C(C=C1)C2(CCCCC2)C3=CC(=C(C=C3)NC(=S)NCC)C)C 1 8.294 4 0 -5.96445573770211 4346375 CC1=C(C(NC(=O)N1)C2=CC=CC=C2OC(F)F)C(=O)N(C)C 1 1.429 3 3 0 -26.9315522466274 4346329 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br 1 4.317 3 3 -3.37328474839366 4346283 CC1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=CO3 1 3.061 1 4 -11.2816351756617 4346256 CC1=CC=CC=C1CSCCC(=O)NCC2=CC=C(C=C2)OC 1 3.74 1 2 -15.8420588082674 4346255 CC1CC(CN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5)C 1 4.463 3 4 0 -12.5878790870372 4346180 CC1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])SCC(=O)O 1 3.773 1 5 -7.41789858650354 4346087 CC1=CC=C(C=C1)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NC4CC4 1 3.151 2 2 -11.8427068699619 4345766 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.201 2 8 0 -14.4319601903306 4345669 CC(C)N1CCC(CC1)N(CCOC)C(=S)NC2=CC(=C(C=C2)OC)Cl 1 4.402 3 2 -9.22122560412876 4345666 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)Br 1 2.226 4 4 0 -21.3568472344453 4345662 CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)NC1=S 1 3.32 3 2 -4.27893808319897 4345593 CCC1C=C(C=CN=C1N(CC)CC)C2=CC=CC=C2 1 3.272 2 0 0.852608641310532 4345591 CC(C)NC(=O)C1=NN(C2=CC=CC=C21)C 1 2.042 3 1 -9.88920684561064 4345537 CC1(CC(=O)C(=C(CC2=CC=CC=C2)NC)C(=O)C1)C 1 2.238 1 2 -10.9594916681285 4345536 COC1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=C(C=C3)F)CC4=CC=CO4 1 4.062 3 4 0 -7.66110751633913 4345526 C1=CSC(=C1)C=NNC2=NC=NC3=C2NC=N3 1 1.236 6 0 0 -0.617366228898803 4345318 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCC3=CC=C(C=C3)OC)OCC 1 3.682 3 5 0 -18.3553424905749 4345315 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)N3CCC4=CC=CC=C4C3)OCC 1 3.979 3 4 0 -18.3222649206928 4345257 CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CC3)C 1 2.874 4 2 -18.9527921691131 4345180 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N3CCOCC3)C 1 0.283 3 3 0 -18.025396236706 4345149 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCC(CC3)C(=O)NC(C)(C)C)Br 1 2.374 3 4 0 -24.2683285487138 4345148 CCC(C)(C(=O)NC1CCCCC1)N(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)CC4C(=O)NC(=O)N4 1 1.396 6 5 0 -32.9113745902114 4345099 CC1=NON=C1OCCNCCNC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 1 1.58 6 4 0 -8.22792883287972 4345085 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)C)Cl 1 4.585 2 4 -5.87776978991479 3093171 C1CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N(CCO)CCO 1 2.272 3 4 0 -4.63661317925771 3093192 C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC4=C3N=CC=C4 1 3.024 2 2 0.270361826545565 3093184 C1=CC=C2C(=C1)C(=CC(=C2NCCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-] 1 2.386 3 6 0 -10.3575994097934 3093099 CC(=NNC(=O)C1CC1(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.174 3 3 -4.47300082570392 3093053 COC1=C(C=C(C=C1)C=NNC(=O)C2COC3=CC=CC=C3O2)OC 1 2.423 2 5 0 -7.47884078999113 3093031 C1=C2C(=C(C(=C1[N+](=O)[O-])NCCO)[N+](=O)[O-])NC(=O)N2 1 -0.249 5 6 0 -6.13444291646555 3093030 CN(C)C1=C(C=C2C(=C1[N+](=O)[O-])NC(=O)N2)[N+](=O)[O-] 1 0.643 5 5 0 -7.0188235702656 3093000 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3N 1 3.789 3 3 -3.61073765368787 3092999 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NN=CC3=CC=C(C=C3)F 1 4.353 3 3 -1.41030081609322 3092996 CC1=CC=CC=C1NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC=C)O 1 3.853 2 3 -7.49926894388617 3092995 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3 1 3.623 2 3 -1.34245098426257 3092936 C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-] 1 3.175 2 3 7.42971565107983 3092923 CC(COC1=CC=C(C=C1)C(=O)C)OC2=CC=C(C=C2)C#N 1 3.442 1 3 -7.59117589794995 3092870 CC(=NNC1=CC(=NC(=N1)C2=CC=CC=C2)OC)C3=CC=C(C=C3)N 1 3.585 5 1 0.656400004512291 3092847 C1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 1.1e-002 3 5 0 -14.0083686939231 3092842 CCCC(=O)NC1=C2CCCC2=NC3=C1CCCC3 1 3.507 2 1 -11.1286864845474 3092802 CCN(CC)C(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)Br 1 3.799 1 3 -16.6425489043602 3092794 C1=CC=C(C=C1)NC2=NC(=NC(=N2)NN=CC3=CC=NC=C3)NC4=CC=CC=C4 1 3.165 8 0 0 -2.75063208227211 3092764 COC1=C(C=CC=C1[N+](=O)[O-])C=NNC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4 1 3.287 8 3 0 -3.25566913479552 3092760 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC(=CC=C3)Br)N4CCCCC4 1 4.157 7 0 0 0.535598689456151 3092754 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=CC=C3F)N4CCCCC4 1 3.614 7 0 0 -0.651616858777749 3092752 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=C(C=C3)[N+](=O)[O-])N4CCCCC4 1 3.303 8 2 0 -4.43249770715227 3092750 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC(=CC=C3)[N+](=O)[O-])N4CCCCC4 1 3.303 8 2 0 -4.67919157706504 3092744 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC4=C(C=C3Br)OCO4)N5CCCCC5 1 3.925 7 2 0 -2.841884959288 3092740 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=C(O3)[N+](=O)[O-])N4CCCCC4 1 2.823 8 3 0 -1.98748547584523 3092734 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=NC=C3)N4CCCCC4 1 2.258 8 0 0 -2.11289993901946 3092684 C1COCCN1C(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.45 4 6 0 -16.574072744761 3092663 CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC1=CC=C(C=C1)S(=O)(=O)N 1 2.462 3 3 -22.3064135409334 3092662 CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC1=C(C=CC(=C1)C(F)(F)F)Cl 1 5.364 2 1 -12.7766025818067 3092643 CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC1=CC(=CC=C1)[N+](=O)[O-] 1 3.652 3 3 -18.8489322417208 3092628 CCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1CCOCC1 1 3.906 3 2 -27.2220563512586 3092627 CCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1CCS(=O)(=O)C1 1 3.19 3 3 -30.939869680753 3092626 CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1CCS(=O)(=O)C1 1 2.284 3 3 -25.7589982753103 3092585 CC1(CC2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=CC=C5)C(=O)C1)C 1 3.521 1 2 -21.4599029124259 3092583 CC1=CC=CC=C1S(=O)(=O)NC2C(=C(C(=O)O2)OC3=CC=CC=C3)Br 1 3.351 1 5 -8.05373817301397 3092570 CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)OC(=O)C 1 4.218 2 4 0.410001261578833 3092557 C1COCCOCCOC2=C(C=C(C=C2)Br)OCCOCCOCCO1 1 1.709 0 7 0 -1.33229014931372 3092544 CC(=O)NC(C(=O)C1=CC=CC=C1)N2CCCCC2 1 2.104 2 2 -9.25278014916534 3092543 C1=CC=C(C=C1)C2=NC(=O)N(N2)C3=C(C=C(C=C3)Br)Br 1 4.153 3 1 2.56977560658002 3092519 CC1C(OC2=CC=CC=C2O1)(C3=NC4=CC=CC=C4C=C3)O 1 3.83 1 3 7.42740537853676 3092497 CC1=CC=C(C=C1)NC(C2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OC)OC 1 3.116 2 5 0 -6.97599884803564 3092495 CC1=CC=C(C=C1)NC(C2=CC=C(C=C2)Br)P(=O)(OC)OC 1 3.97 1 3 -4.51626211519303 3092489 CCCOP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)C(=O)O)OCCC 1 4.11 1 5 -10.8562702474481 3092482 CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)OC2=CC=CC=C2 1 4.953 1 2 -11.2196439008027 3092451 CC1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2 1 5.047 3 2 -18.48179777023 3092431 CC1=CC(=C(C=C1)C)NC(C(Cl)(Cl)Cl)NC(=O)C2=CN=CC=C2 1 4.114 3 1 -18.639347268887 3092422 COC1=CC=CC=C1NC(C(Cl)(Cl)Cl)NC(=O)C2=CN=CC=C2 1 3.125 3 2 -20.4893845324741 3092421 COC1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CN=CC=C2 1 3.125 3 2 -19.1472381379237 3092420 CC1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CN=CC=C2 1 3.628 3 1 -18.7342719287796 3092419 CC1=CC=CC=C1NC(C(Cl)(Cl)Cl)NC(=O)C2=CN=CC=C2 1 3.628 3 1 -19.6573809741733 3092413 CCCC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=CC=C1OC 1 3.735 2 2 -24.2537061345444 3092140 CC(=NNC1=CC=CC=C1)C2=CC(=CC=C2)N 1 2.682 3 0 0.210987278180931 3092009 CCSCCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)OC)OC)C 1 1.994 2 5 0 -36.1285051943995 3091989 CC(=O)CC(C1=CC=CC=C1)C2(C(=O)C3=CC=CC=C3C2=O)Cl 1 3.342 0 3 -4.82009770468281 3091864 CC1=NC(=CC(=N1)NN=CC2=C(C=C(C=C2)OC)OC)N3CCOCC3 1 1.883 5 3 0 -0.79925587710415 3091860 CCCCC1=CC=C(C=C1)C(=NNC2=NC(=NC(=C2)N3CCOCC3)C)C 1 3.751 5 1 -4.5026372615494 3091845 C1CCN(CC1)C2=CC(=NC=N2)NN=CC3=CC=CC=C3F 1 3.395 5 0 4.26909788204913 3091840 C1COCCN1C2=CC(=NC=N2)NN=CC3=CC(=CC=C3)F 1 2.166 5 1 3.56132767560016 3091837 CC(=NNC1=NC=NC(=C1)N2CCOCC2)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.835 6 3 0 -4.05444360443629 3091832 C1COCCN1C2=CC(=NC=N2)NN=CC3=CC=CC=C3Cl 1 2.625 5 1 3.16353157162751 3091830 C1COCCN1C2=CC(=NC=N2)NN=CC3=CC=C(C=C3)F 1 2.166 5 1 2.11685578669804 3091828 CC(=NNC1=NC=NC(=C1)N2CCOCC2)C3=CC=CC=C3 1 1.941 5 1 0 -1.91125937175455 3091825 C1COCCN1C2=CC(=NC=N2)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 1.855 6 3 0 -1.48740086317257 3091795 CC1=CC(=NN1CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C 1 1.438 4 3 0 -14.5220792509026 3091754 COC1=C(C=C2C(NCCC2=C1)C3=C(C=CC(=C3)[N+](=O)[O-])O)OC 1 2.674 2 5 0 -9.50526353203478 3091644 CCSCCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C 1 2.027 2 3 -36.6839485121177 3091626 CCCCCOC(=O)NC1CCS(=O)(=O)C1 1 1.309 1 4 0 -13.7817870205692 3091616 CCCCOC(=O)NC1CCS(=O)(=O)C1 1 0.853 1 4 0 -14.475856434436 3091602 CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])OC 1 3.379 4 4 0 -18.7631875962805 3091526 CC(=O)NC1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC4=CC=CC=C43 1 2.467 2 3 -8.79424134724575 3091522 C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O 1 3.367 2 7 0 -15.1110544086084 3091515 CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-] 1 4.13 2 6 0 -18.5217091007876 3091506 CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.905 2 4 0 -23.3460280857408 3091502 C1C(C12C3=C(C4=CC=CC=C24)N=CC=C3)CC(C5=CC=CC=C5)(C6=CC=CC=C6)O 1 5.391 1 1 4.03219258945091 3091494 CN1C(=O)C2=C3C(=C(C=C2)N)C=CC=C3C1=O 1 1.024 2 2 0 -0.267269006286241 3091478 C1C2CC3CC1CC(C2)(C3)N=C4OC(CS4)CCl 1 4.138 1 1 -0.451255038740968 3091465 CC(=NNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1)C2=CC=CC=C2 1 2.535 3 2 -21.4488219299234 3091436 CC1=C(C(NC(=S)N1C)C2=CC=CC=C2)C(=O)OC(C)C 1 3.615 2 2 -19.3504984910711 3091435 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)O)C(=O)OC(C)C 1 1.549 2 4 0 -30.2231975676768 3091433 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.34 3 6 0 -7.84829993376983 3091421 CC(C)(C)C(=O)C(C(=O)NC1=CC=CC=C1)Cl 1 2.96 1 2 -5.31349261322733 3091420 C1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC=CC=C2Cl)Cl 1 3.752 1 2 -4.42370675920528 3091419 C1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC=CC=C2)Cl 1 3.087 1 2 -5.09750234791484 3091386 C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 3.116 2 3 -13.1174304075559 3091385 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=O)O 1 2.361 2 7 0 -9.94004597206848 3091372 C1=CC(=CC=C1CC(CC(=O)O)C(=O)O)Br 1 2.34 0 4 -4.8498111364882 3091314 CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)SC1=CC=CC=C1 1 4.907 1 1 -11.462485773821 3091293 CC1=CC(=C(C=C1)C)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)N(C)C 1 4.676 4 1 -14.0057429979702 3091291 CC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)N(C)C 1 4.189 4 1 -13.2315411537443 3091290 CN(C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1 1 3.703 4 1 -13.3881952921176 3091282 CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1OC 1 4.86 3 2 -21.8419001281352 3091280 CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1 1 4.876 3 1 -19.4712793584224 3091267 C1=CC=C(C=C1)COC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=C(C=C2Cl)Cl)Cl 1 7.721 3 2 -9.85145960141758 3091265 C1=CC=C(C=C1)COC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=CC=C2Cl)Cl 1 7.057 3 2 -11.8264998853515 3091264 C1=CC=C(C=C1)COC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC(=CC=C2)Cl 1 6.393 3 2 -11.2986928233169 3091260 CC1=CC(=C(C=C1)C)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)OCC2=CC=CC=C2 1 6.701 3 2 -14.3274324874266 3091258 CC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)OCC2=CC=CC=C2 1 6.214 3 2 -11.7629793163963 3091191 CCCCN1C(=O)/C(=C/2\N(C3=CC=CC=C3S2)C)/SC1=NC4=NC=NN4 1 4.28 6 1 0 -4.90269228991386 3091155 CN\1C2=C(C=CC(=C2)OC)S/C1=C\3/C(=O)N(C(=NC4=CC=C(C=C4)OC)S3)CC=C 1 5.233 3 3 -3.18981100097574 3091123 CCCCCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])C 1 2.744 3 5 0 -33.4912925315264 3091112 CCC(CC)COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)N(C)C)C 1 3.331 3 3 -34.6371205715511 3091111 CCCCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C 1 2.288 3 5 0 -34.7863376454141 3091108 CCC(CC)COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])C 1 3.063 3 5 0 -34.0702319802957 3091106 CCC(CC)COC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2Br)C 1 3.917 2 3 -30.0356772537401 3091105 CCC(CC)COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)C 1 3.152 2 4 -32.3177574534476 3091087 CC1=CC=C(C=C1)S(=O)(=O)N2CCOCCOCCOCCOCCOCC2 1 0.597 1 7 0 -15.3457618763828 3091015 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C=CC(=O)C=C3 1 1.618 3 2 0 -9.49928851671493 3091011 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)NC(=O)C)[N+](=O)[O-] 1 1.818 3 5 0 -8.74302319874332 3090994 C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Br)NN=CC4=CC=C(O4)[N+](=O)[O-] 1 5 5 3 0 8.86602164792549 3090990 C1=CC=C2C(=C1)C(=O)NC(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.517 2 4 -4.50367812619711 3090974 CC(=O)N1C2=CC=CC=C2C3(C(C1(C)C)C3(Cl)Cl)C 1 2.817 1 1 -2.49505054355282 3090966 CC(=O)NC1=CC2=C(C=C1)OCCOCCOCCOC3=C(C=C(C=C3)NC(=O)C)OCCOCCO2 1 1.079 2 9 0 -9.43031766623661 3090962 C1COCCOC2=C(C=C(C=C2)Br)OCCOCCOC3=C(C=CC(=C3)Br)OCCO1 1 4.335 0 7 0 -1.33229014931372 3090946 CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)F)C(=O)OCCOC 1 1.139 2 4 0 -31.1542975577505 3090897 CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 1.861 3 3 0 -9.49883398431985 3090880 CC(C)(C)OC(=O)N1CCOCCOCCNCCOCCOCC1 1 5.1e-002 2 6 0 -13.7263521391619 3090874 C1COCCOC2=C(C=C(C(=C2)[N+](=O)[O-])N)OCCO1 1 0.501 2 6 0 -5.2899793267379 3090866 CC(=O)N1CCOCCOCCN(CCOCCOCC1)C(=O)C 1 -1.727 2 6 0 -7.23386583405901 3090865 CC(=O)N1CCOCCN(CCOCCOCC1)C(=O)C 1 -1.597 2 5 0 -7.23386583405901 3090861 C1CN(CCOCCOCCN(CCN1CCO)CCO)CCO 1 -1.464 3 5 0 -9.68094115596303e-002 3090860 C1COCCOC2=CC=CC=C2OCCOCCN1CCO 1 0.953 1 5 0 -1.03557641937151 3090852 C1COCCOCCOCCOCCOCCN1C2=CC=CC=C2 1 1.156 1 5 0 1.31068804016892e-002 3090849 C1=CC=C(C=C1)COC(=O)NCCOCCNC(=O)OCC2=CC=CC=C2 1 2.888 2 5 0 -7.94865931412391 3090837 C1=CC=C2C(=C1)N=C(O2)/C(=C/NC3=CC=C(C=C3)Br)/C=O 1 3.45 2 2 2.90941651591974 3090821 CN(C)C(=O)NC(C(Cl)(Cl)Cl)NC1=C(C=C(C=C1)Cl)Cl 1 4.158 3 1 -9.70681897647708 3090814 CC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2)C 1 6.138 3 1 -20.8286469012373 3090787 CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)P(=O)(OC)OC 1 2.635 1 4 -10.784494823984 3090758 CCN(C1=CC=CC=C1)P(=O)(NC2=CC=CC=C2)NC3=CC=CC=C3 1 3.55 3 1 -0.844560714842856 3090741 CC(C)OC(=O)C1C(C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)O 1 3.402 0 4 -9.24823472973371 3090729 CC1CCCC(C1)OC(=O)C2=C(NC(=O)NC2C3=CC=C(C=C3)OC)C 1 3.158 2 4 -33.7220224603189 3090728 CCCCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2Br)OCO3)C 1 2.91 2 5 0 -31.5889799317565 3090718 CC1CCCC(C1)OC(=O)C2=C(NC(=O)NC2C3=CC=CC=C3)C 1 3.175 2 3 -33.83245288407 3090692 CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)OC)OC)C(=O)OCC3=CC=CC=C3 1 2.615 2 5 0 -30.162335587411 3090691 CCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC3=CC=CC=C3 1 2.98 2 4 -31.373571633086 3090652 CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O 1 3.218 2 5 0 -10.5193632017754 3090643 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCO 1 2.678 0 3 -1.86386453841665 3090606 C1CN(N(C1=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 2.129 2 2 -6.94094553463843 3090533 COC1=CC=C(C=C1)C=NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 4.269 3 3 1.88591217677045 3090532 CC1=CC=C(C=C1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 4.702 2 2 3.91419464458743 3090529 CCOC(=O)C1=C(SC(=N1)NN=CC2=CC=CC=C2)Br 1 3.009 3 2 -4.20876645615321 3090522 C1=CC=C(C=C1)N2C(=NN=N2)C(C3=NN=NN3C4=CC=CC=C4)(Cl)Cl 1 3.023 8 0 0 -0.6027298403499 3090521 C1=CC=C(C=C1)N2C(=NN=N2)CC3=NN=NN3C4=CC=CC=C4 1 1.97 8 0 0 -9.18149465801515 3090520 CC1=CC=C(C=C1)N2C(=NN=N2)C(C3=NN=NN3C4=CC=C(C=C4)C)(Cl)Cl 1 3.995 8 0 0 6.37626702377311e-002 3090473 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O 1 2.161 3 6 0 -5.36995124766791 3090413 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O 1 0.206 1 5 0 -16.3606619164801 3090383 C1=CC=C(C=C1)CNC(=O)NC(C(Cl)(Cl)Cl)O 1 2.211 2 2 -6.55379536433608 3090378 CC(C)CC(=O)NC(C(Cl)(Cl)Cl)SC1=CC=C(C=C1)Cl 1 5.4 1 1 -6.57267832845517 3090374 COC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)[N+](=O)[O-] 1 4.039 4 4 0 -17.2542703213899 3090362 CC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)OC 1 4.631 3 2 -13.2722269807035 3090340 COP(=O)(C(C(Cl)(Cl)Cl)NS(=O)(=O)C1=CC=CC=C1)OC 1 1.852 1 5 0 -11.3391714511403 3090323 CC(=O)NC(C(Cl)(Cl)Cl)P(=O)(OC)OC 1 0.484 1 4 0 -9.26683207314063 3090272 CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C1=CC=CC=C1)OCC 1 2.846 1 4 -13.4805265052697 3090261 CCOP(=O)(C1=C(OC(=N1)C2=CC=C(C=C2)C)NCC3=CC=CC=C3)OCC 1 4.133 2 4 3.98740589954991 3090258 C1=CC=C(C=C1)C(=O)NC(=C(Cl)Cl)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 5.691 1 2 -7.84895940562223 3090246 CC1=CC=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=CC=C4)C 1 5.463 0 2 -0.774629639192406 3090235 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.603 2 4 -8.99587268773476 3090193 CC1=CN(C(=O)NC1=O)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2 1 1.689 3 4 0 -15.0885856413701 3090192 CC1=CN(C(=O)NC1=O)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2 1 2.294 3 3 -17.3351806779154 3090189 C1=COC(=C1)C(=O)NC(C(Cl)(Cl)Cl)N2C=CC(=O)NC2=O 1 1.243 3 4 0 -17.0921892119623 3090182 CC1=CC(=O)N(C=N1)C(C(Cl)(Cl)Cl)NC(=O)C(C)(C)C 1 2.429 3 2 -16.878076257568 3090180 CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)SC1=NC=CC=N1 1 3.65 3 1 -13.2098175457532 3090179 CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)SC1=NC=NC=C1 1 3.668 3 1 -13.0558404827806 3090176 CC1=CC(=O)N(C=N1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2 1 1.942 3 3 0 -12.0545370079859 3090151 CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)N1C=NC=CC1=O 1 1.915 3 2 0 -15.5279397829502 3090148 CCCCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)N(C)C)C 1 2.555 3 3 -34.7522505366486 3090147 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)N(C)C)C(=O)OCC3=CC=CC=C3 1 2.81 3 3 -32.9267115994815 3090146 CCCCCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)N(C)C)C 1 3.012 3 3 -34.0581811227818 3090144 CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3 1 2.542 3 5 0 -33.0581929347718 3090143 CCCCCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)C 1 2.833 2 4 -31.7388180046783 3090142 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3 1 2.632 2 4 -30.607348481378 3090141 CCCCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)C 1 2.377 2 4 -32.4328874185451 3090127 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CN=CC=C3)C(=O)OC(C)C 1 2.143 2 3 -36.2540151615798 3090124 CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)OC)OC)OC)[N+](=O)[O-] 1 0.942 3 6 0 -21.8649468033396 3090108 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 1.655 3 3 0 -17.4829840735054 3090107 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OC)[N+](=O)[O-] 1 0.975 3 4 0 -19.7179489732364 3090023 C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O 1 2.267 2 4 -2.91359902771851 3089993 CCCOP(=O)(C(=C(Cl)Cl)NC(=O)C1=CC=CC=C1)OCCC 1 3.531 1 4 -7.920500589968 3089992 CCOP(=O)(C(=C(Cl)Cl)NC(=O)C1=CC=C(C=C1)C)OCC 1 2.97 1 4 -7.20336632422566 3089986 CC1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)OC 1 4.762 2 2 -17.1640773277287 3089983 C1COCCN1C(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)Br 1 3.41 2 2 -13.6872512880973 3089946 C1COCCN1C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2 1 2.056 2 3 -12.6016427645467 3089945 CCOP(=O)(/C(=C/N1CCCCC1)/NC(=O)C2=CC=CC=C2)OCC 1 2.117 2 4 -8.955041356344 3089939 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2Cl)NC=O 1 3.287 2 2 -8.2086187066069 3089937 CC1=CC=CC=C1NC(C2=CC(=CC=C2)Cl)C3=NN=NN3C4CCCCC4 1 5.453 5 0 -18.8740661380616 3089924 C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])N 1 2.418 4 2 6.52171768505956 3089729 C1=CC=NC(=C1)CCNC(=O)C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 1 3.321 2 1 -9.03441094188683 3089621 C1=CC=C(C=C1)P(=O)(COCCOCCOCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 1 6.192 0 5 -5.01877094926787 3089611 CC(C)CCN1C(=O)C2=C3C(=C(C=C2)N)C=CC=C3C1=O 1 2.604 2 2 -2.15982570719366 3089590 C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NN2)N 1 1.183 5 2 0 0.419735236863643 3089538 COC1=C(C=C(C=C1)C=NNC2=NON=C2N)OC 1 0.914 5 3 0 -8.70170571094558 3089537 C1=CC=C(C=C1)CC2=NC(C(=O)NN2)CC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 1.171 6 4 0 -12.5322518367922 3089535 CC1=CC=C(C=C1)C=NNC(=O)CC2C(=O)NNC(=N2)CC3=CC=CC=C3 1 1.763 5 2 0 -10.4378540494349 3089508 CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.31 3 3 -5.18120727467007 3089471 C1=CC(=CC=C1C(=O)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.363 4 7 0 -11.3131287327672 3089429 CC1=CC(=NC(=N1)C2=CC=CC=C2)NN=C(C)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.349 5 2 0 1.22994024204167 3089422 CN(C)C1=CC=C(C=C1)C=NNC2=NC(=O)C=C(N2)C3=CC=CC=C3 1 2.804 5 1 -9.33727326103868 3089421 CC1=CC(=O)N=C(N1)NN=CC2=C(C(=C(C(=C2F)F)F)F)F 1 2.435 4 1 -9.4614963609062 3089400 CC1=C(C(NC(=O)N1)C2=CC(=CC(=C2OC)Cl)Cl)C(=O)OCC=C 1 2.994 2 4 -30.7771927793968 3089399 CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCC=C 1 1.449 2 5 0 -35.9558023855606 3089397 CCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC=C 1 2.014 2 4 -35.6459236232443 3089396 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)O)C(=O)OCC=C 1 1.439 2 4 0 -32.657903099888 3089359 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.523 4 6 0 -9.68060572132256 3089344 CCOC(=O)NC1=C(C(=NN1)NC(=O)OCC)[N+](=O)[O-] 1 1.056 5 6 0 -1.91798154693465 3089296 CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C 1 3.305 2 4 -10.2361923870396 3089273 CCN(CC)CCCCCC(=O)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2 1 3.92 3 2 -14.0568141618835 3089252 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.188 4 6 0 -8.30122350906131 3089250 C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N 1 4.408 2 1 2.33348391773006 3089187 CCC1=CC=C(C=C1)C(=O)C2=CC(=CN=C2)Br 1 3.774 1 1 -1.97399445872038 3089181 C1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.923 5 4 0 1.74950896250754 3089156 C1CCN(CC1)CC(=NNC2=CC=C(C=C2)Br)[N+](=O)[O-] 1 3.606 4 2 0.769138274689156 3089155 C1COCCN1CC(=NNC2=CC=C(C=C2)Br)[N+](=O)[O-] 1 2.377 4 3 0 -1.62946793622293 3089153 CC1C2=C(CC(N1C(=O)C)C(=O)O)C3=CC=CC=C3N2 1 1.71 2 3 0 -9.94831865767767 3089124 CCCCN1C(=O)N(C(CC1(C)C)(C)O)C2=CC=C(C=C2)Cl 1 3.607 2 2 -1.34430149568715 3089122 C1=CC=NC(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1 2.451 5 6 0 1.55995820632849 3089115 CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1C3=CC=CC=C3[N+](=O)[O-] 1 2.4 4 5 0 -6.70586877509803 3089114 C1=CC=C2C(=C1)C(=O)N(C=N2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.321 4 5 0 -6.3605321865271 3089113 CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.4 4 5 0 -9.00345044021683 3089085 CCN1C(=O)/C(=C\N(C2=CC=CC=C2)C(=O)C)/OC1=S 1 1.696 2 3 0 -3.83495481372872 3089070 C1=CC(=CC(=C1)Br)NC(=O)NCCCl 1 2.359 2 1 -5.2870483703072 3089037 CC(C)C1C(N(C(CC1(C2=CC=CC=C2)O)C3=CC=CC=C3)C)C4=CC=CC=C4 1 5.573 1 1 8.28514585311759 3088593 CC1=CC(=C(C(=C1)C)NC(=O)C(C)N2CCCCCC2)C.Cl Cl- 1 4.272 2 1 -10.0353481486128 3088576 C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NCCNCCO)C3=CC=CC=C3 1 0.434 4 4 0 -10.1091211243977 3088223 C1C2=CC=CC=C2C(C3=CC=CC=C3S1)NCC(=O)O 1 5.2e-002 1 2 0 -5.22635615683801 3087714 CC1=NC(=C(N1CC2=CC=C(C=C2)Cl)SCC(CCl)O)[N+](=O)[O-] 1 3.686 3 3 -4.96624689438952 3087712 CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC(COC)O)[N+](=O)[O-] 1 2.103 4 7 0 -11.0886407686993 3085326 C1=CC=C(C(=C1)C(=O)OCC(CO)O)NC2=C3C=CC(=CC3=NC=C2)Cl.Cl Cl- 1 3.036 2 4 -4.92593156853686 3085284 C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@@H]1CCC(=O)N1 1 -11.877 12 15 0 -39.6094992460049 3085219 CN1CCN2[C@@H](C1)C3=CC=CC=C3CC4=C2N=CC=C4 1 3.094 3 0 -1.10435743080563 3084775 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O 1 3.464 2 4 -13.6619935456981 3084624 CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl Cl- 1 3.243 1 3 -7.03363942531298 3083979 CN(C)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl Cl- 1 3.358 1 3 -2.16031329426087 3083811 CC#CCC1=CC2=CC=CC=C2C(=O)O1 1 3.001 0 2 -3.29941277642172 3083802 CCN(CC)CCNC(=O)COC1=CC=C(C=C1)OC.Cl Cl- 1 1.693 2 3 0 -9.22422417349199 3083797 COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2 1 2.926 1 2 -7.41399365207879 3083670 C1COCCN1CCC(=O)C2=CC=CC=C2.Cl Cl- 1 1.511 1 2 0 -1.7272643538999 3082576 CC(C)C[C@@H](C(=O)OC)NC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2 1 3.232 3 3 -12.5341422428689 3080568 CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2C(=O)OC)O)OC)C(=O)O)O 1 2.861 0 8 0 -0.39647651413035 3080513 C1C2CC3(CC1CC(C2)(C3)O)CCN=C(CSS(=O)(=O)O)N 1 0.87 2 4 0 -5.91337435084376 3080290 CNCC1=CC=CC=C1SC2=CC=C(C=C2)OC.Cl Cl- 1 3.469 1 1 0.739692952207976 3080287 CN(C)CC1=CC=CC=C1SC2=CC(=C(C=C2)OC)OC.Cl Cl- 1 3.989 1 2 -1.70115477921152 3080282 CN(C)CC1=CC=CC=C1SC2=CC=CC(=C2)OC.Cl Cl- 1 4.005 1 1 1.96977425286958 3080234 C1CN(CCN1CC2=NN=C(O2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.025 4 1 2.94504602185807 3080187 COC1=CC2=C(C=C1)N3CCN4CCCN=C4C3=C2.Cl Cl- 1 1.978 3 1 0 0.878299538416442 3080184 COC1=CC2=C(C=C1)N3CCN=C(C3=C2)NCCO.Cl Cl- 1 1.352 3 2 0 1.90776040265018 3080182 COC1=CC2=C(C=C1)N3CCN=C(C3=C2)N.Cl Cl- 1 1.685 3 1 0 1.62415404604298 3080062 CC(CC1=CC=CC=C1)NC(=O)CN2CCCC2=O 1 1.177 2 2 0 -20.346952947863 3079854 COC1=C(C=C(C=C1)C(=O)CN2CCOCC2)F.Cl Cl- 1 1.452 1 3 0 -5.5513950904611 3079499 C1=CC=C(C=C1)C2=CC=CC=C2OCCCC(=N)N.Cl Cl- 1 2.809 2 1 -1.04044490235981 3079036 C1C(NC(C(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br 1 5.764 1 1 -0.138333395438437 3078430 C=COCCNC(=S)NC1=CC(=CC=C1)Cl 1 3.316 2 1 -8.34709574865119 3078422 CC1(CC2=CC=CC=C2C(=N1)C(CC3=CC=CC=C3)C(=O)N)C 1 3.621 2 1 -0.632768076368143 3078204 CCN(CC)CC(CN1C(=C(C2=CC(=C(C=C21)Br)OC)C(=O)OCC)C)O.Cl Cl- 1 3.736 2 4 -6.1037210574015 3077985 CN(C)C(=O)C1CC(=O)OC12CCCCC2 1 1.094 1 3 0 -6.35482746382989 3077547 CCCCOC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)C)C 1 2.388 2 3 -2.93690362592135 3077444 CS(=O)(=O)O.C1CC2=C3C(=NCCN3C4=C2C=C(C=C4)C5=CC=CC=C5)C1 CS(=O)(=O)O 1 4.739 2 0 6.15672759320683 3077225 CCNCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OC(C)C.Cl Cl- 1 3.642 3 3 -5.70154955646299 3076954 CC1=C(C2=C(O1)C=CC(=C2)OC)C(=O)CN3C=CN=C3 1 1.611 2 3 0 -2.31403020825459 3076847 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC 1 4.021 2 2 -10.3231418934797 3076435 CC1=C(N=CN1)CSCC2=CC=C(C=C2)Cl.Cl Cl- 1 2.874 2 0 0.552627315700274 3076434 CC1=C(N=CN1)CSCC2=CC=C(C=C2)F.Cl Cl- 1 2.415 2 0 -0.557494349421293 3076342 CN1CCC(=C(C2=CC=CC=C2)C3=CC=C(C=C3)Br)CC1.Cl Cl- 1 4.954 1 0 2.54788243151287 3076280 CCCOC1=CC=C(C=C1)C2=CSC3=NCCN23.Cl Cl- 1 2.685 2 1 -0.725387654056603 3075864 CC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)OC 1 2.043 4 4 0 -11.473342759358 3075859 COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl.CS(=O)(=O)O CS(=O)(=O)O 1 2.221 4 4 0 -7.21058551404446 3075846 CC(CC1=CC=CC=C1SC2=CC=CC=C2O)N(C)C.Cl Cl- 1 4.478 1 1 4.18751273615698 3075844 CC(CC1=CC=CC=C1SC2=CC=C(C=C2)O)NC.Cl Cl- 1 3.942 1 1 2.92535759216887 3075496 C1CN(CCN1CCNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O)C4=CC(=CC=C4)Cl 1 0.685 4 3 0 -2.70519229608797 3075179 CC1=CC=CC=C1NC(=O)C2=CN=C3C=CC=CN3C2=O 1 0.992 3 2 0 -13.8598313528636 3075178 CC1=CC=C(C=C1)NC(=O)C2=CN=C3C=CC=CN3C2=O 1 0.992 3 2 0 -11.3854483716488 3075077 CCCCN(C1CC2CCC(C1)N2C)C(=O)C3=CC=C(C=C3)Cl.Cl Cl- 1 3.866 2 1 -4.05852512780542 3075069 CCCCN(C1=CC2CCC(C1)N2C)C(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl Cl- 1 3.161 2 4 -8.05870124244188 3074967 CC1=CC(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)OC 1 3.292 3 1 -4.47496849586169 3074656 C1CN2C(=CSC2=N1)C3=C(C=CC(=C3)Br)O.Cl Cl- 1 2.336 2 1 2.98075911174987 3074368 C1CN(CCN1CC2=CC=CC=C2)CC(C3=CC=C(C=C3)Br)O 1 3.682 2 1 3.2747202268415 3074211 C1CN(CCN1CCCN2CC(=O)N3CSCC3C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5 1 2.435 4 2 -12.8644847776099 3073463 CC1=CC=C(C=C1)NC2=C(C(N(C2=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)CC(=O)O 1 4.822 2 3 -8.74225710350735 3073462 C1=CC=C(C=C1)NC2=C(C(N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)F)CC(=O)O 1 4.055 2 3 -7.46269624712814 3073045 C1=CC=C(C=C1)N2C(C(=C(C2=O)O)CC(=O)O)C3=CC=C(C=C3)Br 1 2.971 1 4 -9.92356127521699 3073007 CC1=CC(=NO1)C(=O)NC2=CC=CC=C2C(F)(F)F 1 2.585 2 2 -11.3330107769668 3072986 CC1=CNC2=C1C(=CC=C2)OCC(CNC(C)(C)C)O.Cl Cl- 1 2.616 2 2 -5.49897861969543 3072340 COC1(C(=C(C(=O)C1(CC=C)Cl)Cl)N2CCOCC2)OC 1 1.575 1 4 0 -4.68952583022445 3072313 CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CSC=C3.Cl Cl- 1 4.978 2 3 0.903813315019223 3071817 CN1CCN(CC1)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O 1 -0.972 2 3 0 -3.24404787536068 3071506 C1C(CN(C1=O)C(=O)C2=CN=CC=C2)C3=CC=CC=C3 1 1.484 2 2 0 -8.15698871070417 3071136 C1C(C(=O)NC1=O)C2=CC=C(C=C2)OCCCCCOC3=CC=C(C=C3)C4CC(=O)NC4=O 1 2.289 2 6 0 -7.23890203890931 3070964 CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3CN2)O)O.Br Br- 1 3.056 1 2 4.45410857638161 3070918 CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)O)C 1 2.879 2 2 -8.16881633723824 3070103 CC1=NC(=C(C(=N1)Cl)CC(CBr)Br)N 1 2.577 3 0 0.201291697756584 3070069 CCN(CC)CC(C1=CC=C(C=C1)C2CCCC2)O.Cl Cl- 1 3.825 1 1 1.72352368376338 3069966 CCN(CC)C(C)C(=O)NC1=C2CCCC2=CC3=C1CCC3.Cl Cl- 1 4.252 2 1 -6.42551166468835 3069950 C1CCN(C1)CC(=O)NC2=C3CCCC3=CC4=C2CCC4.Cl Cl- 1 3.531 2 1 -6.31871489103395 3067952 C=COCCNC(=S)NC1=CC=CC=C1 1 2.652 2 1 -11.25261914373 3067919 COC1=CC=CC2=C1SCC3=CC=CC=C3C2CC(=O)N 1 2.886 1 2 -7.61530935157324 3067902 CC1=C(C=C(C=C1)C2(C3CCN(C2=C)CC3)O)C.Cl Cl- 1 2.839 1 1 4.00405392213705 3067898 CC1=CC=C(C=C1)C2(C3CCN(C2=C)CC3)O.Cl Cl- 1 2.353 1 1 2.80992566029894 3067895 CC1=CC=CC=C1C2(C3CCN(C2=C)CC3)O.Cl Cl- 1 2.353 1 1 2.51497662887255 3067696 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 0.747 2 5 0 -19.3542578321699 3066878 CCCN1C2=CC=CC=C2N3C1=NCC3.Cl Cl- 1 2.056 3 0 -6.20909569924046 3066874 CCCCN1C2=CC=CC=C2N=C1NCCO 1 2.218 3 1 -5.18176747487832 3066781 C1CN(CCN1C2=NC3=C(C=C(C=C3)Br)C(=N2)N)C(=O)C4=CC=CO4.Cl Cl- 1 2.268 5 2 0 2.86654166352734 3066418 COC1=C(C=C(C=C1)C(C(CN2CCOCC2)C3=CC=CC=C3)O)F.Cl Cl- 1 2.813 1 3 -4.19063040477225 3066411 COC1=C(C=C(C=C1)C(=O)C(CN2CCOCC2)C3=CC=CC=C3)F.Cl Cl- 1 3.195 1 3 -6.22886301253478 3066363 CN(C)C(=O)C1C2=CC=CC=C2C3=CC=CC=C3CS1(=O)=O 1 2.035 1 3 -3.35654687556438 3066355 CN(C)C(=O)C1C2=CC=CC=C2C3=CC=CC=C3C(S1(=O)=O)C(=O)N(C)C 1 1.437 2 4 0 -3.87171701063899 3065199 CCCC(C)C1(C(=O)NC(=NC1=O)NC2=CC=CC=C2)CC 1 3.745 3 2 -6.34887156583936 3064865 CC(C)[N+](C)(C)CC(CN(C1=CC=CC=C1)C2=CC=CC=C2)O.[I-] I- 1 2.585 2 1 -4.12608788030222 3064844 CCCCC1(C(=O)NC(=O)N=C1NC2=CC=C(C=C2)OC)CC 1 3.477 3 3 -5.30977717395749 3064801 CCN(CC)CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OCC.Cl Cl- 1 4.149 3 3 -6.7112362462518 3064731 CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCO)CCOC3=CC=CC=C3 1 0.664 5 4 0 -8.88347472940286 3064722 CCCOC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F 1 1.111 2 5 0 -10.8505745724453 3064516 C1CN(CCN1CCC2OCCO2)C3CC4=C(C=CC(=C4)Cl)SC5=C3C=CC(=C5)F 1 4.964 2 2 5.9649563598335 3063181 CC(C)NC(C)C(=O)C1=CC2=CC=CC=C2C=C1 1 3.158 1 1 -2.04129881098333 3061201 CC(C)OC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN(C)C)C=C1.Cl Cl- 1 4.077 3 3 -6.54757642193754 3060242 CCCCOC1=C(C=C(C=C1)CN(CCO)CCO)[N+](=O)[O-].Cl Cl- 1 2.031 2 5 0 2.17127986456734 3060241 C1=CC(=C(C=C1CN(CCO)CCO)[N+](=O)[O-])O.Cl Cl- 1 0.477 2 5 0 7.56772933378683 3059947 CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(C3=CC=CC=C3)C(=O)O 1 4.543 2 2 -5.72207195152385 3059282 COC1=CC=CC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4 1 3.234 2 2 -6.51476086089365 3059054 CCCN1CCN2C3=C(C=C(C=C3)Br)C4=C2C1CCC4.Cl Cl- 1 5.042 2 0 10.1093414124307 3058667 C1CCN(CC1)CC(=O)NC2CCC3=C2C=C4CCCC4=C3.Cl Cl- 1 3.497 2 1 -8.6367075215023 3057340 C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC3=CC=CC=N3 1 4.544 2 0 1.05640543744925 3055941 CC1=CC2=C(C=C1)N3CCN=C4C3=C2CCC4.Cl Cl- 1 3.707 2 0 3.20891945314664 3055901 CC(=O)NC1=CC=CC(=C1)C2=NNN=N2 1 0.419 5 1 0 -1.60104796478316 3055291 C1CCC(CC1)C(=O)NC2=NCCS2 1 2.564 2 1 -7.58050615001336 3054779 C1CN(CCN1C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=CC=CC=C43 1 3.052 3 2 -1.11462523781654 3053058 CSC1=NC(=C(N=N1)C2=CC=CO2)C3=CC=CO3 1 3.33 3 2 2.18527701095339 3052784 C1COCCOC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)OCCOCCO1 1 2.627 0 6 -6.68223824697922 3052206 C1CCN(C1)CCNC(=O)COC2=CC=C(C=C2)Cl.Cl Cl- 1 2.137 2 2 -6.13541992040891 3052007 CC1CCC2=CC=CC=C2N1C(=NC3=CC=CC=C3)N.Cl Cl- 1 3.691 3 0 -3.25732665203861 3050824 C1=CC(=CC=C1S(=O)(=O)CCC2=CC=NC=C2)Cl.Cl Cl- 1 2.774 1 2 -4.86725523003853 3048625 CCC1CN(CCC1(C2=CC=CC=C2)OC(=O)C)C.Cl Cl- 1 2.476 1 2 -0.842913267516724 3045478 CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=CC(=C(C=C24)F)F.CS(=O)(=O)O CS(=O)(=O)O 1 4.243 2 0 6.31627677931353 3045305 C1CCC2=C(C1)C3=C(O2)C(=CC=C3)O 1 3.274 0 2 0.845328574660172 3044816 C1CN2CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=C(C=C4)Cl)O 1 3.893 1 1 6.50652980770969 3043002 CCN1C(=O)CC(CC1=O)C2=CC=CC=C2 1 1.502 1 2 0 -4.0110862792838 3043001 CN1C(=O)CC(CC1=O)C2=CC=CC=C2 1 1.153 1 2 0 -3.33195804077379 3042370 CCN(CC)C1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-] 1 2.668 2 3 -6.87332881544639 3042319 CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC2=NC=CS2 1 3.759 2 1 -0.854227735792484 3041892 CN1CCN(CC1)C2=CC3=C(C=CC(=C3)Cl)SC4=C2C=CC(=C4)F.CS(=O)(=O)O CS(=O)(=O)O 1 4.702 2 0 10.1926479872974 3041882 CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=CC(=C4)F.CS(=O)(=O)O CS(=O)(=O)O 1 4.952 2 0 9.34791713117202 3041266 CCCS(=NS(=O)(=O)C1=CC=C(C=C1)C)C 1 2.739 1 2 -1.26243434640738 3039995 CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC.CS(=O)(=O)O CS(=O)(=O)O 1 4.624 2 0 8.45602871759917 3038641 CC(=O)C1=CC2=C(C=C1)OCCOCCOCCOCCO2 1 0.963 0 6 0 -7.14254043774685 3038494 COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=C3.Cl Cl- 1 4.34 3 2 -3.11900623205508 3038117 CC1C(=O)N(C(=S)N1)CC=C 1 1.24 2 1 0 -8.99507478704593 3037418 C1CN(/C(=C\[N+](=O)[O-])/N1)CC2=CN=C(C=C2)Cl 1 1.169 4 2 0 -7.2798003150199 3037048 CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O 1 2.103 2 4 -2.51320531200209 3036596 CCCCCCCCCCCCOC(=O)C[N+](C)(C)C.[Cl-] Cl- 1 3.65 1 2 -7.27399298625652 3035850 CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl)O)O 1 0.925 6 4 0 -7.95969740946087 3035279 C1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)CO 1 2.145 0 3 -1.09063561379126 3035187 COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC.Cl Cl- 1 3.471 3 2 6.49101023829475 3034649 C1=CC2=C(C=C1Cl)SC(=S)N2 1 3.934 1 0 1.7451549119758 3034598 CCNC(=S)NCC=C 1 1.623 2 0 0 -10.8148002896591 3034557 C=CCNC(=S)NC1=CC(=CC=C1)[N+](=O)[O-] 1 3.023 3 2 -12.7647276805499 3034554 CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN3CCCC3 1 2.276 5 1 -9.62529788748168 3034512 CC(C)N1C=NC2=C1NC=NC2=S 1 1.022 4 0 0 -5.34182552752566 3034500 CCCCN1C=NC2=C1NC(=NC2=S)N 1 1.493 5 0 0 -10.4271197965555 3034499 CC1(OC2C(OC(C2O1)N3C=NC4=C3NC=NC4=S)CO)C 1 -0.614 4 4 0 -14.0093292669907 3034459 C1C(OC(=S)N1)COC2=CC=CC(=C2)C(F)(F)F 1 3.532 1 2 0.897503005059196 3034494 C1CCC(C1)N2C=NC3=C2NC=NC3=S 1 1.697 4 0 0 -7.65466753972444 3034186 C=CCNC(=S)NCC=C 1 1.891 2 0 0 -8.98827092831852 3034178 CC1=CC(NC(=S)N1C2=CC=CC3=C2C=CC(=C3)S(=O)(=O)O)(C)C 1 3.956 2 3 -8.34313152861333 3034175 CC1=CC=CC=C1N2C(=CC(NC2=S)(C)C)C 1 4.201 2 0 -4.99399857304362 3034160 CCCCN1CCNC1=S 1 2.34 2 0 -10.9064522726154 3034143 C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)N 1 4.027 2 0 -1.79839095750069 3034112 C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)C([C@@H]4C[C@H]([C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)O)(C)C)C 1 2.97 0 6 -0.187948600704384 3033877 CCCCCCCC(=O)OCC(CO)O 1 1.918 0 4 0 -10.1070586412123 3033817 CS(=O)(=O)O.C1[C@@H]2CC(C[C@H]3N2CC(=O)C1C3)OC(=O)C4=CNC5=CC=CC=C54 CS(=O)(=O)O 1 2.035 2 3 -5.35255040737442 3033390 CCC1(C(=O)NC(=S)NC1=O)CC=CC 1 2.111 2 2 -6.54369705809992 3033332 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C.Cl Cl- 1 1.039 4 3 0 -5.29511823202539 3033278 C1=CC=C(C=C1)C(CN)(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 3.914 1 0 0.941357810700635 3032663 C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=S)N3 1 4.23 1 1 5.23704934605463 3032310 C1C2=CC=CC=C2NC1=S 1 2.191 1 0 0.976011080183143 3032303 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C/C(=C\O)/C(=O)C4)C 1 3.132 0 3 -8.84550470096422 3031719 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.819 3 5 0 -14.2252038752359 3031300 CCC1(C(=O)NN(C1=O)C2=CC=CC=C2)CC 1 2.132 2 2 -2.03525527552294 3029725 CN(C)CCC(=O)C(CC1=CC=CC=C1)C2=CC=CC=C2.Cl Cl- 1 3.8 1 1 -0.323711585011627 3029444 C1COCCN1CC2=NN=NN2C3=CC=CC=C3 1 0.671 5 1 0 -10.0303362895197 3029065 COC1=C(C=C(C=C1)C2=CC3=CC(=C(C=C3C=N2)OC)OC)OC.Cl Cl- 1 3.469 1 4 -0.511212817188046 3028856 CCC(C)C1C(=O)N(C(=S)N1)CC=C 1 2.539 2 1 -11.1817341847414 3028592 CC(CCCN(C)C)(C(CC1=CC=CC=C1)C2=CC=CC=C2)O.Cl Cl- 1 4.369 1 1 0.394890706968567 3027783 CN(C)CC#CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl Cl- 1 3.975 1 1 -7.1325015863225 3027782 C[N+](C)(C)CC#CCN1CCCC1=O.[I-] I- 1 -0.791 2 1 0 -12.4446282940043 3027456 CCN(CC)CCOC(=O)C1=C(C=C(C=C1)Cl)Cl.Cl Cl- 1 3.85 1 2 1.12930889042756 3027432 CCN(CC)CCOC(=O)C1=CC=C(C=C1)Cl.Cl Cl- 1 3.186 1 2 -1.48698343572943 3027274 CN(C)CC1=CC=C(C=C1)SC2=CC(=CC=C2)Cl.Cl Cl- 1 4.686 1 0 5.483720888485 3027272 CN(C)CC1=CC(=CC=C1)SC2=CC=C(C=C2)Cl.Cl Cl- 1 4.686 1 0 6.46199554871283 3027271 CN(C)CC1=CC(=CC=C1)SC2=CC=CC=C2Cl.Cl Cl- 1 4.686 1 0 2.67531659113591 3026856 C1=CC=C(C=C1)CCOC2=CC=C(C=C2)N 1 2.971 1 1 1.86092953593503 3025501 C1CN2CCC1CC2CC3=CC(=C(C=C3)O)O.Cl Cl- 1 2.526 1 2 6.80278549911191 3024531 CC(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)OCCN3CCCC3.Cl Cl- 1 4.461 1 1 4.24658918287115 3024525 C1CCN(C1)CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)Br.Cl Cl- 1 4.799 1 1 0.582511488582145 3024524 C1CCN(C1)CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.Cl Cl- 1 4.256 1 1 -0.609146399120788 3024499 C1CN(CCN1)C2=NC(=CC=C2)Cl 1 1.055 3 0 0 -1.44550309436832 3023569 CN(C)CCCN1CC(CC1=O)C(=O)O 1 -3.679 2 3 0 -12.7560788936839 3023325 C1CN(CCN1)CCC2=CC=CC=C2C(F)(F)F 1 2.588 2 0 -1.50932774296197 3046290 C1CC2=NC3=CC=CC=C3CN2C1.Cl Cl- 1 1.425 2 0 0 -3.64685917312151 3046101 C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC(=N)N.Br Br- 1 2.721 4 1 -6.82791106963117 3045878 C1CCC(=O)C(C1)C(C2=CC=C(C=C2)Cl)O 1 2.962 0 2 -0.957067963591404 3022182 CC1=C(C2=C(C=C1)N=CC=C2)N 1 1.755 2 0 0 3.77133978542688 3021914 CC(CN1CCN(CC1)C(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4)O 1 1.372 4 4 0 -9.09285847728928 3021821 C1CC(=NC2=CC=CC=C2)N(C1)CC(=O)O 1 1.153 2 2 0 -7.11574368677125 3021819 COC1=CC=C(C=C1)N=C2CCCN2CC(=O)N.Cl Cl- 1 0.509 3 2 0 -5.47718698195054 3021339 C1CN(CCC1(C2=CC=CC=C2)O)CC3=CC=CC=C3.Cl Cl- 1 2.775 1 1 6.21765690616743 3017166 CC1=NN(C(=O)C1)C2=CC=C(C=C2)N.Cl Cl- 1 0.376 3 1 0 -2.86110945196923 3016869 C1=CC=C(C=C1)N=NC2=C(N=CN=C2N)N 1 2.005 6 0 3.87428174420409 3015940 CC1=CSC(=N1)N2CCCC2=O 1 0.691 2 1 0 -9.01187739774071 3015618 COC1=CC(=C(C=C1)O)N.Cl Cl- 1 0.824 1 2 0 3.13971720192625 3014059 C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C.[I-] I- 1 1.97 1 2 0 -10.8580095994108 3013964 CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC 1 4.705 1 4 -13.646194927455 3013233 CC1=CC(=NC(=N1)NC(=NCCC2=CC=C(C=C2)OC)N)C 1 2.196 5 1 -4.15573611294943 3013174 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(C)(C)C 1 3.183 3 4 0 -5.61561986065175 3011526 CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CC[C@@]4(C(=O)CO)O)C 1 1.24 0 5 0 -10.690065264576 3010929 C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O 1 6.447 0 3 -1.72046832358004 3010927 CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O 1 6.546 0 3 -3.78083906683587 3005984 CC(=NNC(=S)NCC=C)C1=CC=CC=N1 1 2.106 4 0 -10.421281180338 3005521 C1=CC=C(C=C1)N2C(=NNC2=S)C3=NC=CN=C3 1 1.805 5 0 0 -6.10019312724679 3005238 CCCCS/C(=C(/C#N)\C(=O)N)/C1=CC2=C(N1)CCCC2 1 3.482 3 1 -11.4729299886345 3004982 CCOC(=O)C1=C(NC(=S)C(=C1C2=CC=C(C=C2)OC)C#N)C 1 2.749 2 3 -9.6140773179752 3004028 CNC(=S)NN=C1CC(OC2=CC=CC=C12)C3=CC=CC=C3 1 3.742 3 1 -6.61549053301001 3003893 C1=CC=C(C(=C1)NC(=O)NC2=CC3=C(C=C2)NC(=S)S3)F 1 4.168 3 1 -6.17009572217829 3003892 COC1=CC=C(C=C1)C=NNC(=S)NC2=CC=CC=C2 1 4.069 3 1 -5.66863375590711 3003822 CCOC(=O)/C(=C/1\SS/C(=C(\C(=O)OCC)/C#N)/S1)/C#N 1 3.124 2 4 -4.19969397581478 3003779 CCCCCN1C=NC2=C1NC(=NC2=S)N 1 1.949 5 0 0 -8.99970339534345 3003760 C=CCNC(=S)NC1=CC=C(C=C1)Cl 1 3.793 2 0 -8.47525919260428 3003755 CC1=C(N=CC=C1)NC(=S)NC2=C(C=CC=N2)C 1 4.116 4 0 -2.29644273849933 3003754 CC1=NC(=CC=C1)NC(=S)NC2=CC=CC(=N2)C 1 3.708 4 0 -2.7788436457487 3001899 CC(=CC1=CC=CC=C1)C=C2C(=O)NC(=S)N2 1 2.744 2 1 -8.41955199827505 3001664 C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@]1(C)O)OC)OC)OC)OC)OC)OC 1 4.05 0 7 0 -4.96681222701272 3001662 C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@]1(C)O)OC)OC)OC)OC)OCO3 1 3.851 0 7 0 -4.17234816701121 3001308 C1=CC=C(C=C1)C(=NNC(=S)N)C2=CC=CC=C2 1 3.444 3 0 -4.55914254130889 3001082 C1=CC=C(C=C1)CCNC(=S)NC2=NC=CS2 1 2.941 3 0 -9.41180448583032 3000792 C1CC(OC1)N2C=NC3=C2NC=NC3=S 1 0.566 4 1 0 -7.10998270181426 3000729 C1=CC=C(C=C1)C2=CSC(=S)N2 1 2.638 1 0 -0.885052348620704 3000671 C1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2=O)O 1 1.266 3 3 0 -8.19429856514382 3000322 CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4 1 0.823 1 4 0 -7.75254352339326 3000225 CC(C(=O)N1CCC2=CC=CC=C21)N3CCC4=CC=CC=C4C3 1 3.379 2 1 -14.0077696725847 3000224 C1CC(OC1)CN2C(=NN=C2SCC3=CN4C=CSC4=N3)C5=CC=C(C=C5)Cl 1 3.701 5 1 -11.31112634962 3000223 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)NC4=NC(=NN4)SCC5=CC=C(C=C5)Cl 1 2.359 5 3 0 -8.01940214917923 3000222 C1C2C3C4C1C5C2C6C3C4C5(O6)C(C(=O)N)(F)F 1 -0.126 1 2 0 -1.60549482181108 3000218 CC1=CC(=CC=C1)N2C(=NN=N2)SC(C)C(=O)NCCC3=CCCCC3 1 4.158 5 1 -17.7765849937351 3000216 C1CCCC(CC1)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.982 3 3 -15.2886601616489 3000215 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3COC4=CC=CC=C4O3 1 2.851 2 3 -2.54417718958667 3000214 CC1=NN=C(N1C2=CC=CC=C2)SC(C)C(=O)NCC3CCCO3 1 2.223 4 2 -16.2178444961259 3000213 C1CCC(=NCC1)NCCCN2C=CN=C2 1 0.606 4 0 0 -3.80083183115447 3000212 CN(CC1=NC(=O)C2=CC=CC=C2N1)CC(COCC3=CC=CO3)O 1 0.959 3 4 0 -8.12343336141095 3000211 C1CC1N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O 1 2.081 2 3 -3.38209227574674 3000208 CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=COCCO2)C 1 2.311 0 5 -7.16113095768251 3000207 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCC(=O)N2)S(=O)(=O)N3CCOCC3 1 -0.601 3 7 0 -26.530970695952 3000205 C=CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4=CC=C(C=C4)Cl 1 5.322 6 1 0 -20.0331638183388 3000204 CC1CN(CC(O1)C)C(=O)CN2C(=O)C3(CCCCCCC3)NC2=O 1 1.594 3 4 0 -13.646001712442 3000203 CCN1C2=C(N=C1C3=CSC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4 1 3.213 4 2 -2.16955234232346 3000202 CN1C(=NN=C1SCC2=CN=C(S2)C3=CC=CC=C3)C4COC5=CC=CC=C5O4 1 4.223 4 2 3.43184322831133 3000200 CC1=CC(=CC=C1)OCCC(=O)NCC(C2=CC=CC=C2)N(C)C 1 3.358 2 2 -9.16368840777553 3000199 CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)C3=C(N(C(=C3)C)C)C 1 3.267 5 3 0 -18.2090322919535 3000198 CC(C(=O)NC1=CC=CC=C1F)NC2=C(C=CC(=C2)NC(=O)C)OC 1 2.068 3 3 -12.2468224333235 3000196 CCNC(=O)NC(=O)COC(=O)CNC(=O)COC1=CC=CC=C1 1 -0.231 3 6 0 -14.823066978559 3000194 CC1C(=O)C(=C(N1C2=CC=CC=C2)N)C3=CC(=C(C=C3)OC)OC 1 3.119 2 3 -6.91053085369538 3000193 CCCCC(C(C(=O)OC)NC=O)(C(F)(F)F)O 1 1.275 1 4 0 -9.8328471843446 3000192 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=C(C=C3)F 1 2.431 2 3 -12.2844836543577 3000191 C1CC(OC1)COC2=CC=C(C=C2)C(=O)NC3=NCCS3 1 2.445 2 3 -17.0196945233543 3000189 CN1C=CN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.209 3 1 -10.2172332944189 3000188 CC1CCCCC12C(=O)N(C(=O)N2)CN3C(=O)C4=CC=CC=C4N=N3 1 2.926 5 3 0 -18.2630087940351 3000187 CC1=CC(=CC=C1)N2C(=C(SC2=S)C(=O)N3CCN(CC3)C)N 1 2.965 4 1 -1.67218765279182 3000184 CC1CN(CC(O1)C)C(=O)CSC2=NC=NC3=C2C=CS3 1 1.901 3 2 0 -17.491172016643 3000183 CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)N3CCOCC3 1 2.646 2 2 -5.79466576406827 3000182 CC1=CC(=NO1)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 1.955 3 6 0 -22.11544481108 3000181 CC1=C(N(C2=C1C(=NC=N2)N)CC3=CC=CC=C3)C 1 2.757 4 0 -3.32490659189777 3000180 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32 1 1.446 2 6 0 -23.7885140292677 3000179 CC1=C(SC=C1)C(=O)OCC(=O)NCC2CCCO2 1 1.543 1 4 0 -20.0393028569833 3000178 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O 1 1.707 1 8 0 -14.7355148038933 3000177 CC1(C(=O)NC(=O)N1)C2=CC3=C(C=C2)C=C(C=C3)OC 1 1.762 2 3 0 -2.38026950350453 3000175 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NC2=NCCS2 1 2.304 4 4 0 -36.4431176530418 3000174 CC1CCCCC1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 2.571 3 2 -11.5069046586825 3000172 CC1=NN(C2=C1C=C(S2)C(=O)N3CCCCCC3)C4=CC=C(C=C4)F 1 4.363 3 1 -7.95084398217754 3000170 C1CCOC(C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4 1 4.753 3 1 -11.9055597862779 3000169 C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3N2CCC#N 1 2.032 4 2 -20.8485400001495 3000168 CC1=CC(=NC2=NC(=CN12)CSC3=C(C=CC=N3)C(=O)O)C 1 2.109 4 2 -8.7495714312722 3000167 C1COCCN1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC=CS4 1 1.567 4 2 0 -8.78800917711676 3000166 CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)SC3=NN=CN3C 1 3.122 4 1 -9.2909548147631 3000164 CC1=CSC(=N)N1CC(=O)N2CCC3=CC=CC=C32 1 1.487 3 1 0 -14.4362317293859 3000163 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3CC=C)C4CCCCC4 1 4.382 4 3 0 -16.6886078874941 3000162 CC1=C(C2=CC=CC=C2N1)C(C3=CC=CC=N3)N4CCC(CC4)C(=O)N 1 2.6 4 1 -4.09121554400088 3000161 CC1(CC(=C(C(=O)C1)CC(=O)NC(=O)NCC2=CC=CC=C2)O)C 1 1.643 2 4 0 -11.7549845313966 3000160 CC(C(=O)OCC1=CC(=CC=C1)Cl)NC(=O)C2=CC=CO2 1 2.872 1 4 -7.02177869932741 3000159 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NCCS3 1 3.068 3 3 -17.475470171001 3000157 C1CN(CCN1C2CC(=O)N(C2=O)CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.592 3 4 0 -11.9069829009656 3000152 CN(CC1=CC=CC=C1OC)C(=O)C2COC3=CC=CC=C3O2 1 2.584 1 4 -4.93100657244279 3000150 COC1=CC=CC=C1C2=NN3C(=NN=C3SC2)C4CCCCC4 1 4.165 4 1 -4.6032820419782 3000149 C1CS(=O)(=O)CC1N(CC2=CC=CO2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.046 1 4 -17.1240687546779 3000147 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCCC3=CCCCC3 1 2.36 3 3 -14.8034271193875 3000142 CNC1=C(C(=C(S1)C(=O)C2=CC=CS2)N)C3=NC4=CC=CC=C4S3 1 4.336 3 1 -4.00961766035372 3000141 CC1=CN2C3C(C(C(O3)COC(=O)C4=CC=CC=C4)O)OC2=NC1=O 1 1.305 2 6 0 -16.2655669949453 3000140 CN1C=NN=C1SC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 3.458 3 1 -12.4560701146073 3000139 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3C(=O)C4CC=CCC4C3=O 1 2.857 2 3 -7.91204313691635 3000138 C1CN(CCN1C(=O)CN2C=C(C=CC2=O)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3 1 0.634 3 4 0 -22.3565655564231 3000137 CC1=CC=C(C=C1)C(=NO)COC2=CC=CC=C2O 1 3.381 1 3 4.48699549156323 3000136 CN(C)CCCNC1=C(N=C(O1)C2=CC=CC=C2)C#N 1 2.094 4 1 0.803919725488197 3000134 CCC(=O)NC1=C(C2=C(S1)CCC2)C(=O)N 1 1.333 2 2 0 -11.0163295539467 3000133 C1CCC(=CC1)CCNC(=O)COC(=O)CN2C=NC3=CC=CC=C32 1 2.645 3 3 -17.1787226699977 3000132 CC(C(=O)NC1=NC2=CC=CC=C2N1)N3C(=O)C4CC=CCC4C3=O 1 1.612 4 3 0 -7.35971696896408 3000131 C1CN(CCN1CC(=O)NC2=CC3=CC=CC=C3C=C2)C4=CC=CC=N4 1 2.882 4 1 -0.297679584272517 3000130 CCOC(=O)C1=CC(=NC2=C1C(=NN2C3=CC=CC=N3)C)C4=CC=NC=C4 1 2.976 5 2 0 -4.65676618360683 3000129 C1OC2=C(O1)C=C(C=C2)C(C3=NC=CC4=CC=CC=C43)O 1 2.685 1 3 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CC1=CC=C(C=C1)C2C3C(C(=O)NC3=O)SC4=C2SC(=O)N4 1 1.986 2 3 0 -6.36830853974624 2999793 CN1C=CC=C1C(=O)NC2=NC=CS2 1 1.202 3 1 0 -6.64821854051079 2999792 CC(=O)NC(CC(=O)NCC(C1=CC=CO1)N(C)C)C2=CC=CC=C2 1 1.333 3 3 0 -15.2131894726486 2999789 CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=NOC(=C4)C 1 3.001 3 4 0 -21.1404168225494 2999788 CC1=C(OC2=CC=CC=C12)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.938 2 3 5.09938909680261 2999787 C1C(OC(=O)C2=C1C=C(C=C2)C(=O)O)C3=CC=CC=C3 1 3.002 0 4 -2.17630487769547 2999786 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C3=NN=C4N3CCCCC4 1 3.224 4 3 0 -6.4173989815171 2999785 CCCCN1C(=NN=C1SCC(=O)N(CC)C2CCS(=O)(=O)C2)C(CC)N(C)C 1 2.208 5 3 0 -29.9669459859361 2999784 CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC=CN2C 1 2.387 2 4 -11.4490311063476 2999783 COC(=O)CCSCC1=CN2C=C(C=CC2=N1)Cl 1 1.954 2 2 0 -10.2382875557462 2999781 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NN=CN2C3=CC=CC=C3 1 2.775 4 2 -15.9742206544454 2999779 C1CC(OC1)CN2C(=NN=C2SCC3=NC=C(O3)C4=CC=CC=C4)C5=CC=C(C=C5)F 1 4.456 4 2 -9.55760064458024 2999778 CC(C)CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC(=C2)OC)OC)C 1 1.676 3 5 0 -11.1970568087884 2999776 CC1=CC=C(C=C1)N2C(=O)C(SC2=O)N(CC(=O)O)C3=CC=CC(=C3)C 1 4.51 2 4 -6.18868601087876 2999775 C1=CN=CC=C1C2=NN=C(N2N)SCC3=CN4C=CSC4=N3 1 0.83 7 0 0 -5.78296136276348 2999774 C1CC2=NC=C(N2C1)C3=CC4=C(C=C3)OCCO4 1 2.034 2 2 0.538133019922898 2999773 CC1(CC(=CC(=O)C1)NC2CCS(=O)(=O)C2)C 1 0.356 1 3 0 -21.7007059115924 2999772 C1CC(OC1)CNC(=O)COC(=O)C2=CC(=CN=C2)Br 1 0.701 2 4 0 -18.0646924662629 2999771 COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC(CC3)C(=O)OC 1 2.244 1 5 -6.37771352782364 2999770 CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=NOC(=C3)C 1 3.048 2 4 -19.6130972859945 2999768 COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)N3C=NN=N3)N4CCOCC4 1 1.347 6 3 0 -26.6033240236992 2999767 COC(=O)CCN(C1=CC=CC=N1)C(=O)C2C3CC4CC(C3)CC2C4 1 2.89 2 3 -8.38663744458827 2999766 COC1=CC=C(C=C1)CCNC(=O)CC2C(=O)NC3=CC=CC=C3N2 1 1.776 3 3 0 -21.2866418243263 2999765 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CC(C)CC1(C(=O)N(C(=O)N1)CCN2C(=O)C3=CC=CC=C3C2=O)C 1 1.754 3 4 0 -5.18231282874465 2999642 CC1=CC(=NC2=NC(=CN12)CSC3=NN=NN3C4=CC=C(C=C4)Cl)C 1 3.184 7 0 0 -12.379843933818 2999640 CCCCN1C2=C(C(=CC(=N2)C3=CC=NC=C3)C(F)(F)F)C(=O)N(C1=O)C 1 3.432 4 2 -2.07910281978606 2999639 CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)N4CCOCC4)C5=CC=CC=N5 1 2.977 5 2 0 -9.95061499209364 2999638 CC1=NN(C(=C1)NC(=O)CC2CCCC2)C3=NC4=CC=CC=C4N3 1 3.556 5 1 -5.85001284313028 2999637 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3CC(=O)N(C3)CC4=CC=CO4 1 1.84 2 5 0 -12.438196168585 2999635 C1=COC(=C1)C(=O)CC(C2=CC=C(C=C2)F)SCCO 1 2.972 0 3 -2.46700572326099 2999634 CC1=C(SC2=NC=NC(=C12)OC3=CC=C(C=C3)N4C=CN=C4)C 1 3.512 4 1 2.20934200579362 2999631 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)C3=C(N(C(=C3)C)C(C)COC)C 1 2.386 3 4 0 -10.6373998666209 2999627 CN(C)C1=NC(=NP(=N1)(N(C)C)N(C)C)C2=CC=CC=C2 1 0.349 6 0 0 2.40091380732717 2999626 C1CN(C2=CC=CC=C21)C(=O)COC(=O)CC3C(=O)NC4=CC=CC=C4S3 1 2.185 2 4 -19.0212900398339 2999622 CC(C)CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC(=C2)OC)OC)C 1 2.133 3 5 0 -12.0781356642128 2999621 CC1=[N+]2CCN(C2=NC(=C1)C3=CC=CC=C3)C.[Br-] Br- 1 2.223 3 0 2.26495799061061 2999620 C1=CC(=CC=C1NC(=O)NCC2=CN3C=CSC3=N2)Cl 1 1.88 4 1 0 -6.09365613245733 2999618 CC1=C(C(=NN1C2=CC=CC=N2)C)OC3=CC=CC=C3O 1 3.191 3 2 4.86614712534138 2999617 CC1=NN(C(=C1)NC(=O)C2=CC(=CN=C2)Br)C3=CC=CC=N3 1 2.234 5 1 -7.75537409488381 2999613 CC1=CC(=NO1)C(=O)NCC(C2=CC=CO2)N(C)C 1 1.105 3 3 0 -14.0699915015718 2999612 C1CC2=CC=CC=C2N3C4=C1C=CC=C4C(C3=O)(C(F)(F)F)O 1 3.52 1 2 0.531006357049758 2999611 COC(=O)C1=CC(=CC=C1)NC(=O)NC2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.633 3 5 0 -12.5818191902543 2999610 C1CC(=C2N(C(=O)C(=CC3=CN=CC=C3)S2)C4=CC=CC=C4)C(=O)C1 1 3.284 2 2 -7.96084988159862 2999609 CC1=C(SC2=C1C(=O)NC(=N2)C(C)NC3=CC=CC=C3N4CCOCC4)C 1 2.906 4 2 -8.66200638437863 2999608 CNP1(=NC(=NC(=N1)C(F)(F)F)C(F)(F)F)NC 1 0.342 5 0 0 -1.58514796663974 2999606 CC1=NN=C(N1CC2=CC=CC=C2)SC(C)C(=O)NC3=NC=C(C=C3)Cl 1 3.501 5 1 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2999229 CC1CN(CC(O1)C)C(=O)C(C)SC2=NC3=CC=CC=C3S2 1 3.189 2 2 -9.91261570078757 2999228 CCCCN1C=CN=C1C(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCOC)CCOC 1 1.917 3 5 0 -15.9025959367928 2999227 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(C(=CC(=C2C)C)C)C 1 3.703 1 4 -13.7207917279393 2999224 C1CC(OC1)CNC(=O)CCC2=CNC3=CC=CC=C32 1 2.181 2 2 -19.1628323129516 2999222 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC=C(C=C3)OC 1 2.124 4 4 0 -15.7650294846958 2999221 CC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCOC(C)C 1 2.68 3 3 -28.0165123391593 2999220 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3CC4CC3C=C4 1 1.107 3 4 0 -14.4744121212897 2999218 CC(C)C(C(=O)OCC(=O)N1CCCCC1)NC(=O)OCC2=CC=CC=C2 1 2.817 2 5 0 -18.4388777924293 2999217 CC1=C(OC2=CC=CC=C12)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F 1 3.665 3 2 10.5688464918796 2999216 C1CCC2(CC1)C(=C(N3C(=C2C#N)SC4C3(CCCC4)O)N)C#N 1 3.202 4 1 -4.37143121319149 2999215 C1CC2=CC=CC=C2C3(C1)C(=O)N(C(=O)N3)CC4=NN=C(O4)C5=CC=CC=C5Br 1 3.538 4 3 0 -4.35848666111218 2999214 CC1CN(CC(O1)C)C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 3.813 3 2 -4.76450029592468 2999213 COC(=O)C(C1=CC2=C(C=C1)NCCC2)(C(F)(F)F)O 1 2.377 1 3 -9.88455401219758 2999212 CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C 1 3.433 3 4 0 -12.2600355827848 2999211 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)S(=O)(=O)C4=CC=CC=C4 1 2.771 2 2 -3.05654652698568 2999210 CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)C3(C4=CC=CC=C4NC3=O)O)N)C 1 0.908 6 2 0 -6.04853543972685 2999208 C1COC(=O)C1N2C(=O)C3=CC=CC=C3S2(=O)=O 1 0.288 1 5 0 -1.98549401599254 2999207 CCOC(=O)NC1=C(C2=C(S1)CC(CC2)C)C#N 1 3.242 2 2 -18.7039772289407 2999206 COC1=NC(=C2C(=C1)C(=C(N=C2N)N3CCC4=CC=CC=C4C3)C#N)N 1 2.783 6 1 0 -9.29030453907538 2999203 CC1=NN(C2=C1C=C(S2)C(=O)NCCCN3C=CN=C3)CC4=CC=CC=C4Cl 1 3.053 5 1 -11.4408098836908 2999202 CC(C)CC1C(=O)N(C(=O)N1)CC(=O)C2=CC3=C(C=C2)OCCO3 1 1.803 2 5 0 -14.5354193018825 2999200 CC1CCCC(C1C)NC(=O)CSC2=NN=NN2C 1 1.713 5 1 0 -23.705407767533 2999199 CCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)CC4CCCO4)C 1 4.188 3 2 -17.1937578694063 2999197 CC1=CC(=NC2=NC(=CN12)CSC3=NN=NN3C)C 1 0.943 7 0 0 -13.5901128404 2999196 C1CN(CCN1CC2=CC(=O)N3C=CSC3=N2)C4=CC=C(C=C4)F 1 2.02 4 1 -5.9250618070691 2999194 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 3.112 3 5 0 -16.2607941214282 2999192 CC(C)(C)NC(=O)NC(=O)COC(=O)C1CC(=O)N(C1)CC2=CC=CC=C2 1 0.734 3 5 0 -20.6955218526671 2999191 CC1=NN(C2=C1C(N3C4=CC=CC=C4N=C3S2)O)C5=CC=CC=C5 1 4.258 4 1 -1.23175338323127 2999189 CC(C)N(C(C)C)C(=O)CSC1=NN=C(N1C2=CC=CC=N2)CN3CCCCCC3=O 1 2.86 6 2 0 -25.6830103410746 2999187 CNP1(=NC2=NN(C(=C2C(=N1)C3=CC=CC=C3)N)C4=CC=CC=C4)NC 1 1.444 7 0 0 0.522961046596956 2999186 C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC=CS3 1 2.983 0 4 -8.75775399762266 2999185 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O 1 1.68 1 7 0 -24.2643332991663 2999183 CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NN=NN2C)C3=CC=CC=C3 1 3.04 7 1 0 -21.0532644076864 2999179 CC1=CC2=NN=C(N2C3=CC=CC=C13)SC4CCOC4=O 1 3.235 3 2 -5.68450373964412 2999178 CC1=NN(C2=C1C=C(S2)C(=O)OC3CCOC3=O)C4=CC=C(C=C4)F 1 3.154 2 4 -7.86900548920296 2999177 C1COCCN1P(=N)(C23CC4CC(C2)CC(C4)C3)N5CCOCC5 1 0.844 3 2 0 -1.60941970805945 2999176 CC(CCC1=CC=CC=C1)NC(=O)CSC2=NN=NN2C 1 2.022 5 1 -23.8475415002 2999175 C1=CC=C2C(=C1)N=C3C(=N2)N(C(=N3)C4=CC=CO4)C5=CC=C(C=C5)F 1 4.512 4 1 1.98395576568364 2999174 CC(CC1=CC=CS1)NC(=O)NC2CCCCC2 1 3.177 2 1 -12.0139615098158 2999173 COC(=O)C1=CC=C(O1)COC(=O)C23CC4CC(C2)CC(C4)(C3)O 1 2.272 0 6 -6.1458652816163 2999172 CC1=C(N2C=CC=CC2=N1)C3=NN=CO3 1 0.58 4 1 0 -1.48051029654688 2999171 CCOCCN1C2=CC=CC=C2N=C1CCCO 1 1.927 2 2 0 -4.58801479287112 2999168 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3CCOC3=O 1 1.113 2 5 0 -9.75099700550153 2999167 CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)NC(=O)C3=CC=CO3 1 2.679 2 7 0 -15.4783332164305 2999163 C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CN5C=CC=NC5=N4)SC=C3C6=CC=CO6 1 4.667 5 2 0 -12.8580253423822 2999162 CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC4=C(C=C3)OCCO4 1 3.046 1 5 -10.2705830048573 2999161 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4CC=CCC4C3=O 1 1.313 3 4 0 -5.35259229139664 2999160 C1CC2=C(C1)SC3=C2C(=NC=N3)SCC#N 1 2.85 3 0 -14.216882390901 2999159 C1=CC=C(C=C1)NC(=O)COC(=O)CC2=CC=CS2 1 2.309 1 3 -10.9404120129564 2999158 CC1=CC(=C(N1C2CC2)C)C(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 2.198 2 3 -9.26994100127098 2999157 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC)C 1 2.326 2 4 -4.66972676824096 2999156 C1=CC=NC(=C1)C(C#N)C(=O)C2=CC=CO2 1 1.797 2 2 0 -3.98540063106409 2999155 CC(=O)C1=CC=C(C=C1)OCCCC(=O)NCC(C2=CC=CO2)N(C)C 1 2.222 2 4 -15.6722151565898 2999153 CCN(CC(=C)C)C1=C(C(=C(C(=N1)N)C#N)CC#N)C#N 1 2.256 6 0 -10.275526449008 2999151 CCC1CC2=C(O1)N=C3C4=C(NC(=N3)C)N=C(C(=C24)C#N)N5CCOCC5 1 1.789 6 2 0 -9.62400669856301 2999150 COC1=CC(=CC(=C1)C(=O)NCC(=O)OC2CCOC2=O)OC 1 0.435 1 7 0 -14.8922259176347 2999146 CN(CC1COC2=CC=CC=C2O1)C(=O)CC3=COC4=C3C=CC(=C4)OC 1 3.029 1 5 -2.96670477446736 2999144 CSCCC(C(=O)N1CCN(CC1)C2=CC=CC=C2F)NC(=O)COC3=CC=CC=C3 1 2.785 3 3 -13.8788791879995 2999140 CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC(=C(C=C2)O)OC)C#N 1 3.019 2 6 0 -38.355934809868 2999139 CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=C(O2)CC(C)C3=CC=CC=C3)C 1 4.432 3 4 0 -16.3204787489898 2999138 C1CC2=NS(=O)(=O)NC(N2C1)C3=CC=C(C=C3)F 1 0.862 3 2 0 -4.25556565579806 2999137 C1CC(OC1)N2C(=O)N=C(C=N2)N 1 -0.462 4 2 0 -6.45805380767385 2999136 CC1=CN=C(C=C1)NC(=O)CC2=CN3C=CSC3=N2 1 1.424 4 1 0 -9.94448947759198 2999135 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C(C)N(C)C 1 2.593 6 2 0 -26.3421735167541 2999134 CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NC3=CC4=C(CCC4)C=C3)O 1 2.632 2 4 -13.668205555728 2999133 CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C(=O)C4(CCCC5=CC=CC=C54)NC3=O 1 3.884 3 3 -8.88628476369117 2999132 CC(C)(C)C1=CC(=O)N2C(=C(N=C2N1)C#N)C#N 1 1.527 5 1 0 -8.46663144782887 2999131 C1COCCN1C2=NN=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 1.007 4 3 0 -5.6299945155931 2999130 CC1=CC(=C(O1)C)C(=O)OCC2=NC3=CC=CC=C3S2 1 2.94 1 3 -4.41729142061765 2999128 C1COC2=C(O1)C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3C5=CC6=C(C=C5)OCCO6 1 3.802 2 5 0 -11.3155868988736 2999126 CC1CN(CC(O1)C)C2=CC(=NC3=C2C=C(C=C3)OC)C 1 2.887 2 2 -5.02307572734431e-002 2999125 C1=CC=C(C=C1)CC2C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)C#N 1 1.601 4 3 0 -10.4327646625637 2999124 C1C2CC(C1C=C2)C(=O)OCC(=O)NCC3=CC=CO3 1 1.203 1 4 0 -9.27847265241508 2999122 C1COC2=CC=CC=C2C13C(=O)N(C(=O)N3)CC(=O)NC4=CC5=C(C=C4)OCCO5 1 1.014 3 6 0 -10.3402723042688 2999121 CN1C=CC=C1P(=O)(C2=CC=CN2C)C3=CC=CN3C 1 3.249 3 1 -2.98330092430523 2999120 COC1=CC=C(C=C1)C2=NN=C(N2CC3CCCO3)SCC(=O)NC4=C(C5=C(S4)CCC5)C#N 1 3.979 5 3 0 -33.9677950213239 2999119 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCCCC3 1 2.851 4 3 0 -21.9026965650931 2999118 CC1=C(N2C=C(C=CC2=N1)Cl)P(=S)(N3CCOCC3)N4CCOCC4 1 1.063 4 2 0 -2.39376063985424 2999117 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CC3=CN4C=CSC4=N3 1 1.031 3 5 0 -17.3018345083254 2999116 CCOC(=O)N=S(=O)(C1=CC=C(C=C1)Cl)N 1 2.522 2 3 -1.38145575375398 2999115 CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC3CCOC3=O 1 3.943 1 4 -5.12488471472226 2999111 C1CCC(C1)C(=O)NC2=CC=C(C=C2)C3=CN4C=CSC4=N3 1 3.039 3 1 1.56338121078588 2999109 CC1=C(N2C=CSC2=N1)C3=NC(=CS3)C4=CC5=CC=CC=C5O4 1 3.935 3 1 7.24469838300037 2999108 C1CCC(CC1)N2C3=C(CCC3)NC(=O)C2=O 1 1.26 2 2 0 -13.1597554998211 2999104 CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC 1 2.54 3 3 -24.2566247631572 2999103 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=NC5=CC=CC=C5N4 1 1.729 4 4 0 -5.26271571556547 2999101 CCC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C4=CC=CS4 1 4.616 4 0 -4.3544216320103 2999100 CC(CCC1=CC=CC=C1)NC(=O)CSC2=NC=CC(=O)N2 1 2.252 3 2 -18.0457669835998 2999099 CN1CCN(CC1)C(=O)C2C(C2=C)C(=O)N3CCN(CC3)C 1 -0.724 4 2 0 -3.05678931082829 2999098 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)C(=O)NCC3CCCO3 1 2.354 2 5 0 -18.8534974134933 2999097 C1CCN(CC1)C2=NC(=O)C(S2)CC(=O)NC3=CC=CC(=C3)C(=O)O 1 2.078 3 4 0 -12.3087275812251 2999093 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC=CS2 1 1.347 1 4 0 -16.0180276220386 2999092 C1C/C(=C(\C#N)/C2=NC(=O)C3=CC=CC=C3N2)/NC1 1 0.913 4 1 0 -11.1978399223745 2999091 COC1=CC(=CC(=C1OC)OC)C2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl 1 1.472 3 7 0 -8.27434934195505 2999090 CC1CCCCC1NC(=O)C2=CC(=CN=C2)Br 1 2.813 2 1 -8.67784621143944 2999089 C1=CC=C(C=C1)C2=NN=C(O2)C(C3=CC=C(C=C3)Cl)O 1 3.101 2 2 0.539601945030606 2999088 CCSC1=C(C(CC(=O)N1)C2=CC=CC=C2C)C#N 1 2.88 2 1 -14.3003454040467 2999087 CCC(C1=NN=C(N1CC2=CC=CC=C2)SCC3=NC4=CC=CC=C4S3)N(C)C 1 5.202 5 0 -9.9487383971106 2999086 COC1=NC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4 1 3.046 3 3 -10.3412848811072 2999085 COC1CCCCC1NS(=O)(=O)C2=CC=CC=C2 1 2.041 1 3 -8.08466910506155 2999084 C1CCCC(CCC1)NC(=O)C2=COCCO2 1 1.722 1 3 0 -8.70703407883529 2999081 C1CC(OC1)CNC(=O)CSC2=C(C=CC(=C2)Cl)Cl 1 3.119 1 2 -13.2041107500377 2999080 CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3 1 3.27 6 1 0 -17.1048837760974 2999079 CC(=O)NC1=CC=C(C=C1)C(=O)OC2CCOC2=O 1 0.529 1 5 0 -10.7469689682208 2999078 CC1C(=C(OC2=C1C(=O)CCC2)N)C#N 1 0.82 2 2 0 -14.5128749035251 2999077 CC1CCCCC1NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)Cl 1 3.407 5 1 -6.25957913668525 2999076 CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 2.427 2 4 -20.1511701665909 2999075 CCC(C)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC 1 2.238 1 4 -16.1676032447818 2999073 CC1CCCC(N1C(=O)COC(=O)C2=C(OC(=C2)C)C)C 1 2.018 1 4 -13.7666795087358 2999072 C1C(ON=C1C2=CC=CC=N2)COC(=O)C3=CC=C(C=C3)Br 1 3.169 2 3 -3.95432485692645 2999070 CC1CC(CN(C1)C(=O)COC2=CC=C(C=C2)C3=NN=CO3)C 1 1.934 3 3 0 -7.59840064004021 2999066 CC1(C2CCC1(C3=C2C(=NN3C4=CC=CC=C4)C(=O)NC5=NC=CS5)C)C 1 4.411 4 1 -8.90390415026087 2999065 CC(C(=O)NC1=NCCS1)N2C(=O)C3CC=CCC3C2=O 1 1.043 3 3 0 -16.7182215710121 2999063 C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(=O)C5=CC=CC=C5)F)O 1 2.634 5 5 0 -15.3828814063829 2999062 CC1CCCC(N1C(=O)COC(=O)C2=CC3=C(C=C2)OCO3)C 1 2.391 1 5 -13.9027580228533 2999058 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)NC4=CN=CC=C4 1 3.59 4 1 1.28480176057585 2999057 C/C(=C/1\C(=C(C2=CC=CC=C2C(N1)C(=O)O)OC)OC)/NC3=CC=NC=C3 1 0.969 3 4 0 -5.91144660509007 2999056 CCC1=NC2=CC=CC=C2N1CC3=CC(=O)N4C=C(C=CC4=N3)C 1 2.67 4 1 -10.4132953727043 2999055 CC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C2=CC=C(C=C2)OC 1 2.056 3 3 -22.004463507725 2999044 COCCCN1C2=C(N=C1C3=CSC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4 1 2.796 4 3 0 -7.83278737946484 2999043 C1COCCN1C(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4 1 2.319 3 2 -1.22810501385796 2999042 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(N=CC=C2)SC 1 0.737 2 5 0 -24.9821276955711 2999040 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)NCCCN4C=CN=C4 1 3.221 5 1 4.53014146980192 2999039 CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NC4=CC=CC=C4N5CCOCC5 1 2.489 4 3 0 -18.4064793221656 2999038 CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.288 3 6 0 -12.7231073142399 2999037 CCC1CCCCN1P(=O)(C2=CC=C(O2)C)C(C)(C)C 1 3.094 1 2 -2.1806643470349 2999036 CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)O 1 2.864 1 2 -11.7466692946831 2999035 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)C 1 2.777 3 4 0 -13.0109673107873 2999034 C1C(OC2=CC=CC=C2O1)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br 1 1.655 2 5 0 -11.2958266211128 2999033 CC1CC(CN(C1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O)C 1 3.173 1 4 -8.30278621122382 2999032 CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCCO3)C 1 1.199 2 5 0 -33.6144431891624 2999031 CC1=C(NC(=C1C(=O)C)C)C(=O)OC2CCOC2=O 1 1.165 1 5 0 -10.3496531439936 2999029 CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=NNC(=N2)N 1 1.378 6 2 0 -16.0658664240489 2999028 CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(C(=C(C(=C2F)F)F)F)F 1 2.795 2 3 -6.75729733518875 2999025 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=COCCO3 1 0.893 1 5 0 -12.8878386061712 2999022 CCN1C2=CC=CC=C2N=C1SCC3=NC4=C(C(=C(S4)C(=O)OCC)C)C(=O)N3 1 4.267 4 3 0 -18.7928434145162 2999021 C1CN(CCN1C(=O)COC(=O)CCC(=O)C2=CC=CS2)C(=O)C3=CC=CO3 1 1.136 2 6 0 -17.5736175720077 2999020 CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 3.09 1 3 -11.7719544396788 2999019 C1CCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NC4CC4 1 1.852 5 1 0 -6.99549646003065 2999018 CC1=NN(C(=C1C(C2=NC=CN2C)(C(F)(F)F)O)N)C 1 0.511 5 1 0 -1.3825902214718 2999015 CC1=CC=C(C=C1)S(=O)(=O)N2CCSC2C3=CC=CO3 1 3.049 1 3 -20.2636246902825 2999014 CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2CC2)C3=CC=CC=C3 1 3.595 3 3 -12.4197538607117 2999013 CC1=CC(=O)N2CC(OC2=N1)CO 1 -7.7e-002 2 3 0 -5.43385449927778 2999011 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)COC3=CC=CC=C3 1 1.856 2 6 0 -23.9651119687414 2999009 CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)N4C=CC(=O)C=C4 1 3.116 3 1 -1.29327450904387 2999008 C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4 1 2.921 2 4 -12.1664576308241 2999007 CCCCCN(C(=O)NC(=O)OCC1COC2=CC=CC=C2O1)S(=O)(=O)C 1 2.825 2 7 0 -1.59918873476724 2999006 C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)C=NN3C=NN=C3 1 3.269 4 1 5.9374737286855 2999005 CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 3.37 4 3 0 -20.5467548226766 2999004 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NC3CCCCC3C 1 2.932 3 2 -10.2291894651865 2999003 CC1CC2=CC=CC=C2N1C(=O)C(C)OC3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 3.772 2 4 -13.0383041469066 2999002 C1CC(OC1)CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N 1 1.021 2 4 0 -16.8114906945257 2999001 CC1=NN=C(S1)SC(C)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.012 3 3 -18.037585288591 2998999 C=CCN1C(=O)C2=C(N=C1SC3CCOC3=O)SC=C2C4CC4 1 3.185 2 3 -15.2020100071401 2998998 CC(C(=O)NC(=O)N)SC1=CC=CC(=C1)C(F)(F)F 1 2.432 2 2 -1.48701197843369 2998997 CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC(=O)N 1 1.739 4 5 0 -15.1524520008839 2998996 CC1(C(=O)N(C(=O)N1)CC(=O)NC(=O)NC2CCCC2)C3=CC=CC=C3 1 1.318 4 4 0 -10.6446198486926 2998995 COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC(=O)NC2CCCCC2)OC 1 1.41 3 7 0 -22.386500966461 2998994 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC3=CC=C(C=C3)F 1 2.403 1 4 2.74447983268278 2998993 C1CCC2=NN=C(N2CC1)CN3CCCC4=CC=CC=C43 1 3.298 4 0 -15.2756687077856 2998992 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC 1 2.023 5 5 0 -26.2818408278684 2998991 C1CCC(=NCC1)NCC(=O)O 1 0.283 2 2 0 -9.53817192186471 2998990 CC1=CC=C(C=C1)C(CC(=O)C2=CC=CO2)SCCO 1 3.253 0 3 -3.17888274872624 2998987 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=COCCO2 1 1.397 1 5 0 -14.9856771689752 2998986 C1CSCC12C(=O)N(C(=O)N2)CCOC3=CC=C(C=C3)C#N 1 1.149 3 3 0 -3.81677065250218 2998984 CCOC(=O)C1=CC(=CC(=C1)OCC(=O)NC(C)C(C)C)C(=O)OCC 1 2.851 1 6 0 -13.1207591460754 2998983 CSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)Br)C#N 1 2.794 2 1 -10.1193076523746 2998982 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCOCC3 1 1.036 2 4 0 5.97954000507946e-002 2998981 C1=CN2C=C(N=C2N=C1)CSCC3=CC=CO3 1 1.714 3 1 0 -1.70087828928057 2998980 C1=CC2=NN(N=C2C=C1)C3C(C(C(C(O3)CO)O)O)O 1 -0.56 3 5 0 -9.52812633439982 2998979 CC1CC(CN(C1)C(=O)COC(=O)C2=C(OC(=C2)C)C)C 1 1.901 1 4 0 -14.7462409759345 2998978 C1=CC=C(C=C1)C2=CP(=O)(C=C(O2)C3=CC=CC=C3)NN4C=NN=C4 1 0.559 4 2 0 -0.954112825690547 2998977 CC1=NN(C(=C1)NC(=O)CC2=CN3C=CSC3=N2)C4=CC=CC=C4 1 2.183 5 1 -10.3303224415387 2998976 CN(C)C(CNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1OC)C2=CC=CO2 1 1.932 3 4 0 -21.7018391272999 2998975 CC1=C(C(=NO1)C)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3 1 2.373 3 5 0 -23.6676733438167 2998974 COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SC4CCOC4=O)OC 1 3.957 3 4 0 -10.0674238283154 2998973 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3N)C4CCCCC4 1 3.068 5 3 0 -14.0056746928952 2998972 CC(C)C1=C(C(=CC=C1)C(C)C)OCCN2C=CN=C2 1 3.943 2 1 1.98900919543844 2998971 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NCC(C3=CC=C(C=C3)OC)N(C)C 1 2.537 3 3 -12.27881832521 2998969 CC1CCCC(N1C(=O)COC(=O)C2=CC=CNC2=O)C 1 0.429 2 4 0 -15.2487304560253 2998967 CC1(CC(=C(C(=O)C1)C2(C(=O)NC(=O)NC2=O)O)O)C 1 -0.947 2 6 0 -10.4495236094515 2998966 CC1C=CC2=CC=CC=C2N1C(=O)C3=CC=CC=C3 1 3.419 1 1 -6.04167116555068 2998965 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=NC4=CC=CC=C4S3 1 3.597 2 4 -9.64393563778135 2998964 CCNC1=C(C(=C(S1)C(=O)C2=CC=CS2)N)C3=NC4=CC=CC=C4S3 1 4.685 3 1 -3.94659034028249 2998963 C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C4=NNC5=CC=CC=C54 1 2.74 4 4 0 -17.2290944691437 2998961 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2 1 2.202 2 5 0 -12.2382726484095 2998956 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCC(CC3)C 1 3.103 4 3 0 -24.5918061689975 2998955 COC(=O)C1CCN(CC1)C(=O)COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)N 1 0.988 3 6 0 -12.0671508840304 2998954 CCN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=C4CCCC4 1 2.064 4 2 -5.63291836076609 2998953 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3CCS(=O)(=O)C3 1 0.466 2 6 0 -20.6162090614777 2998951 CCOC(=O)C1=C(NC(=C1C)C(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)C)C 1 3.039 3 5 0 -9.50776796415551 2998950 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)C4=CC5=C(C=C4)OCCO5 1 2.3 2 5 0 -8.18258221446223 2998948 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CCC3CCCC3 1 3.836 2 4 -13.6310486956498 2998946 COC1=CC=CC=C1NC2=NC(N=C(N2)N)C3=CC=C(C=C3)Cl 1 3.291 5 1 0.908244883747644 2998945 C1CN(CCN1CC(COCC2=CC=CS2)O)S(=O)(=O)C3=CC=C(C=C3)F 1 1.791 2 4 0 -19.1641745205323 2998943 CC1=C(N(C(=S)N1)CC2CCCO2)C 1 1.801 2 1 0 -11.7229286577753 2998939 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 1.754 2 5 0 -13.8800981842733 2998938 CC1=NN(C(=C1)NC2=CC=CC=C2)C3=NC4=CC=CC=C4N3 1 4.07 5 0 2.14192777145139 2998935 CC1=CC2=C(C=C1)N=C(N2)SCC3=NN=C(O3)C4=CC=CS4 1 3.944 4 1 -7.29996979389691 2998934 CCC1CCC2=C(C1)C=C(S2)C(=O)O 1 3.504 0 2 -3.15531084031919 2998932 CCC1=C(C(=C(S1)NC(=O)CSC2=NNC(=N2)N)C(=O)OCC)C 1 2.373 5 3 0 -14.5381824928473 2998931 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3N2CCOC 1 3.516 3 3 -16.1530642424437 2998930 CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)OC2CCCCC2=O)C(=O)OC 1 0.883 1 7 0 -18.3549078321208 2998928 COC(=O)C1=CC=C(O1)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 2.626 2 5 0 -4.47206614665965 2998927 CC1=NN(C2=C1C=C(S2)C(=O)C(C#N)C3=CC=CC=N3)C4=CC=CC=C4 1 3.942 4 1 -7.33224218357277 2998926 C1C2CC3CC1CC(C2)(C3)S(=O)NCC4=CC=CO4 1 2.474 1 2 2.32886218333131 2998925 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-] 1 0.112 2 6 0 -16.9800782443503 2998924 CC(C)C(C(=O)NCC(C1=CC=CO1)N2CCCCC2)NC(=O)C3=CC=CO3 1 2.776 3 4 0 -24.4323213912509 2998923 C1CCC2=C(C1)C=CC(=C2)C3=CSC4=NS(=O)(=O)CCN34 1 2.917 2 2 -5.93338037139231 2998922 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C(C(C)C)NC(=O)C3=CC=CO3 1 2.749 6 4 0 -16.5251797444404 2998921 C1=CC=C(C=C1)COC2=CC=CC(=C2)C(C3=NN=C(O3)C4=CC=CC=C4)O 1 4.003 2 3 -2.89190188612062 2998920 CC1=CC(=C(N1C)C)C(=O)CSC(C)C2=NC(=O)C3=CC=CC=C3N2 1 2.641 3 2 -8.40838569166025 2998919 COCCN1C2=CC=CC=C2N=C1SCC(=O)NC(=O)NCC3=CC=CC=C3 1 2.927 4 3 0 -18.9216873389487 2998918 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(ON=C3C)C)CCC 1 2.409 5 5 0 -15.8158253074768 2998916 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(S2)NC3CCCCC3 1 1.355 4 3 0 -27.7256216908522 2998915 C1C2=NC3=C(C=C(C=C3)Cl)C(N2CC(=O)N1)C4=CC=CC=C4 1 2.192 3 1 -8.42652295112669 2998914 CCCN(CCC)C1=NC(=CC(=N1)C(C#N)C2=NC3=CC=CC=C3O2)C 1 3.911 5 1 -1.79050264106123 2998913 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)NCCCN3C=CN=C3)Cl 1 2.554 4 2 -5.83336744558209 2998912 CC(C(C1=CC=CC=C1)N2CCN(CC2)C)NC(=O)COC3=CC=CC=C3 1 2.959 3 2 -6.7698842825342 2998911 CC1=CC(=C(O1)C)C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.492 3 1 2.39801143687797 2998907 CCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 1.615 4 2 0 -16.5540679365556 2998906 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NOC(=C3)C 1 1.804 3 4 0 -21.2616160459998 2998904 CC(C)N1C2=CC=CC=C2N=C1SC3CCOC3=O 1 3.084 2 2 -3.19204631045942 2998901 CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCC3=CC(=C(C(=C3)OC)OC)OC 1 3.84 3 4 0 -6.24547149448134 2998900 CN1CCN(CC1)P(=O)(C2=CC=CC=C2)C3=NC4=CC=CC=C4S3 1 3.13 3 1 0.990916734401173 2998899 CC1=CC=CC=C1C(C2=CC=CC=C2)OCC(CN3CCCCC3CCO)O 1 3.829 1 3 -8.46042190133696 2998898 C1CCC(CC1)NC2=NN=C(S2)SCC(=O)NC3CCS(=O)(=O)C3 1 1.149 4 3 0 -26.1527495249469 2998897 COC1=C(C(=CC(=C1)C2N=C(NO2)C3=CC=CC=C3)Br)O 1 3.236 2 3 3.42086522048298 2998896 C1CCC(C1)(C2=CC=C(C=C2)F)C(=O)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.888 2 5 0 -7.39498028710637 2998893 C1CC(C2=CC=CC=C2C1)NC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.958 3 3 0 -17.3652122757643 2998892 CC1=CC(=NO1)NC(=O)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C 1 1.936 2 6 0 -22.2690193633167 2998891 C1CS(=O)(=O)CC1NC(=O)CSC2=NC(=CN2N)C3=CC=CC=C3 1 0.823 4 3 0 -15.7329729697574 2998890 CC1CCCC(C1C)NC(=O)CSC2=NN=C(S2)N 1 2.129 4 1 -17.3976372438531 2998884 C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C(C=CC(=C4)O)N 1 2.834 1 4 5.3522050722522e-002 2998883 CN(C)C=NC1=C(C=NN1C2=NC3=CC=CC=C3S2)C#N 1 2.193 6 0 2.84513249087953 2998882 CCOC1=CC=CC=C1CN2C(=O)C(NC2=O)(C)C3=CC=CC=C3 1 2.992 2 3 -5.10703979718672 2998880 C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3OC5=CC=CC=C54 1 3.21 3 3 3.09484612288132 2998878 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3 1 2.098 1 6 0 -17.0079747141654 2998876 CC(C1=CC=CO1)N(C2=CC=CC=N2)C(=O)CSC3=CC=C(C=C3)Br 1 4.6 2 2 -7.59494536467942 2998873 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NC(=CS3)C 1 2.615 4 2 -15.4980814519394 2998870 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CCC4=CC=CC=C4C3)O 1 3.616 1 4 -11.7924025578298 2998868 CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)O 1 3.215 2 2 -7.21003555562318 2998866 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC=CC=C3N4CCOCC4 1 2.068 3 4 0 -9.61044264321309 2998862 CC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)CNC(=O)OC(C)(C)C 1 1.978 3 4 0 -23.6759368044119 2998857 CC1(CC2=C(C(N3C(=O)CCSC3=N2)C4=CC=CC=C4)C(=O)C1)C 1 3.15 2 2 -20.1890429075223 2998856 C1CCC2=C(C1)N=C(S2)NC(=O)CCCC3=CC=CS3 1 3.481 2 1 -13.9722508488651 2998855 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCN3C(=O)C4=CC=CC=C4C3=O 1 3.332 4 4 0 -14.9638769478135 2998854 C1COCCN1S(=O)(=O)C2=CN=C(C=C2)NC3=CC4=C(C=C3)OCO4 1 0.704 3 5 0 -16.0435008712789 2998853 CC(C)(CNCC(C1=CC=CC=C1)O)N2CCOCC2 1 1.265 2 2 0 -5.78386809202868 2998852 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32 1 2.435 2 5 0 -23.2138542961677 2998851 COC1=CC=CC(=C1)NC2CC(=O)N(C2=O)CCC3=CC=CC=C3 1 2.646 2 3 -7.81649062918192 2998850 CC1=NN(C2=C1C3(C4=CC=CC=C4NC3=O)N5C6=CC=CC=C6SC5=N2)C7=CC=CC=C7 1 4.816 5 1 -4.42786643817602 2998849 CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NN=NN2C3=CC=CC=C3)C)C 1 2.645 5 3 0 -18.8032506491308 2998848 CC1CC2=CC=CC=C2N1C(=O)CSC3=NC(=O)C=C(N3)C 1 2.262 3 2 -20.4355288696894 2998847 CC1(C2CCC1(C3=NC4=CC=CC=C4N3C2=O)C)C 1 3.53 2 1 -3.30594177578956 2998845 CC1CCC2=C(C1)SC=C2C(=O)OC3=CC=CC(=C3)N4C=NN=N4 1 3.445 4 2 -19.4148558976353 2998844 CC1CCC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC 1 3.195 2 4 -13.2694196108921 2998843 C1CC(OC1)CNC2=NC(=NCC3CCCO3)C4=CC=CC=C42 1 1.895 3 2 0 -5.10838087580911 2998839 C1CCC(=O)C(C1)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N 1 3.109 4 2 -4.90580219750853 2998838 CC(C)NC(=O)C1=CC(=COC1=N)C(=O)C2=C(C=CC(=C2)Cl)O 1 2.059 2 4 -5.77371342702798 2998836 CC1=C(NC(=C1C(=O)OC)C)C(=O)C(CC2=CC=CC=C2)N(C)C 1 3.488 2 3 -4.3331787264644 2998835 C1CC(N(C1)C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5S4 1 2.022 4 3 0 -11.6292960634903 2998832 C1=CC=C(C=C1)CN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CC=NC=C4)O 1 2.273 2 3 -7.77376490940788 2998831 CC1=NC(=NC=C1)NC(=O)COC(=O)C2COC3=CC=CC=C3O2 1 1.119 3 5 0 -10.9109375361728 2998830 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=NOC(=C3)C 1 1.674 3 5 0 -20.6940213756433 2998826 CCCCC1=NC2=CC=CC=C2N1CC3=NN=C4N3C5=CC=CC=C5SC4 1 4.803 5 0 -7.73190415721967 2998820 CN=C1N(C(=O)C(S1)CC(=O)NCCC2=CC(=C(C=C2)OC)OC)C 1 1.827 3 4 0 -19.4072879997534 2998819 CCOC(=O)C1=CC(=NN1C2=CC=CC=N2)C3=CN=CC=C3 1 2.736 4 2 -1.45380436408971 2998818 CC(C1=NC2=CC=CC=C2N1C3CCCCC3)O 1 3.482 2 1 -6.14077773191574 2998816 CCOC(=O)C1=C(N2CCS(=O)(=O)N=C2S1)C3=CC=CC=C3 1 1.192 2 4 0 -8.79556111214156 2998815 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C#N)C4CCCC4 1 4.228 5 2 0 -8.24420940169779 2998813 C[N+]1=C2CCCCCN2C(C1)(C3=CC=CC=C3)O.[I-] I- 1 2.151 2 1 -21.2060821633508 2998812 CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3OC)C 1 2.887 1 3 -2.40298255266238 2998811 C1COC(=O)C1OC(=O)C2=CC(=CN=C2)Br 1 1.006 1 4 0 -7.92188813791166 2998810 CC1CCCCC12C(=O)N(C(=O)N2)CC3=NC(=NC(=N3)NC4=CC=CC=C4C)N 1 2.574 7 2 0 -4.69179016781199 2998809 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2CC2C)C 1 2.507 1 5 -11.1008243345872 2998807 C1C(=O)N(C(S1)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CO5 1 4.601 3 2 -0.752447953344447 2998806 COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2CC3CCCC(C2)C3=O 1 2.957 0 6 -7.59177499938372 2998804 C1COC2(O1)C3C4CC5C3C(=NO)C6C5C4C26 1 -0.153 1 3 0 -1.04930036267138 2998803 CN1C=CN=C1SCC(=O)N(C)CCC2=CC(=C(C=C2)OC)OC 1 2.144 3 3 -14.0539362404171 2998802 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)C4=NC=CN4C 1 2.879 3 3 -12.8571707848439 2998800 C[N+]1(CCOCC1)CCOS(=O)C23CC4CC(C2)CC(C4)C3.[Cl-] Cl- 1 0.641 1 3 0 -0.921141814115693 2998799 CC1CCCC(C1C)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.979 2 6 0 -28.406297167444 2998798 COC1=CC=C(C=C1)C(CNC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)N4CCCC4 1 1.502 4 4 0 -13.9303063657682 2998797 CC1=C(SC=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3CCCO3)C 1 3.33 1 4 -22.7946649940974 2998792 C1CC(NC1)C2=CC3=C(C=C2)OCCCO3 1 1.705 1 2 0 -4.57614310246719 2998791 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N(C)CC3=CC=CS3 1 1.158 4 2 0 -13.5618720063173 2998790 CC1=CC=C(S1)C2=C3C=NC=CN3C(=O)N2 1 7.e-003 3 1 0 -5.52180530989791 2998789 COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCN2CCOCC2 1 -0.218 3 6 0 -19.0456010491605 2998788 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=NC=C3)CCOC 1 1.666 5 3 0 -9.02477736307834 2998787 C1COC2=C(O1)C=CC(=C2)SCC(=O)N(CCC#N)C3=CC=CC=C3 1 2.978 2 3 -13.2582839765063 2998786 C1=CC2=NC(=CN2C=C1)CSC3=NN=C4N3C=CC=C4 1 2.227 5 0 -9.05752005341975 2998785 CN1CC(=O)N=C1NC(=O)C23CC4CC(C2)CC(C4)C3 1 1.645 3 2 0 -6.99570396878201 2998784 C1COC(=O)C1SC2=NN=C(O2)C3=CC=CC=C3 1 1.936 2 3 0 -2.42245766644278 2998783 C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5 1 2.401 2 6 0 -15.6591287900704 2998782 CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F 1 2.77 2 5 0 -22.5379581202277 2998779 CC1(C(=O)N(C(=O)N1)CCOC2=CC=CC=C2)C3=CC=CC=C3 1 2.708 2 3 -2.87197070308678 2998778 CC1=NN(C2=C1C(=CC(=N2)C3=CC=CO3)C(=O)O)C4=CC=CC=C4 1 3.559 3 3 -1.31405444828281 2998776 CC1C(=O)N(C(=NCC=C)S1)S(=O)(=O)C2=CC=CC=C2 1 2.764 2 3 -12.4237854175148 2998775 CN1C=CN=C1P(=S)(C2=NC=CN2C)C3=NC=CN3C 1 1.781 6 0 0 -0.139945858745637 2998774 CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)NC(=O)N4 1 2.656 4 4 0 -14.7756260986094 2998773 CC1=CC2=C(C=C1)C(=CO2)CC(=O)OC3CCOC3=O 1 2.233 0 5 -4.14885527875788 2998771 CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)N 1 -0.478 4 4 0 -23.4934706257457 2998770 C1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)SCC(=O)O 1 2.875 1 3 -9.68912601095685 2998769 C1CCC(C(C1)C(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)NCC4=CC=CO4 1 2.592 2 5 0 -18.9474887583568 2998768 CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CC=C3 1 3.75 3 1 -7.01208864020124 2998767 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=CO2)C3=CC4=C(C=C3)C=C(C=C4)OC 1 1.793 3 5 0 -10.7076148821535 2998766 CCOC(=O)C1CCN(CC1)CC2=NC3=C(N2CCO)C=C(C=C3)Cl 1 2.619 3 3 0.146703675158561 2998764 CSCCC(C(=O)NCC1CCCCC1)NC(=O)N 1 1.224 3 2 0 -17.8556029208758 2998763 CN1C(=NN=N1)SCC(=O)C2=CC=CO2 1 0.874 4 2 0 -15.1292408352944 2998762 CN(C)C(CNC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2)C3=CC=CO3 1 3.584 3 2 -9.21880104415757 2998761 CN1C2=NN=C(C=C2C(=O)N(C1=O)C)NCC3=CC=CC=C3 1 1.356 5 2 0 -9.9279714837631 2998757 CCOC(=O)C1=C(OC(=C(C1C(C)C)C#N)N)C2=CC=CC=C2 1 2.874 2 3 -10.1593086269664 2998756 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=CC=C3 1 2.296 3 5 0 -9.75570424523198 2998755 CC(C)(CN(C)C)NS(=O)(=O)C1=CC=C(C=C1)Cl 1 2.126 2 2 -4.30796435243164 2998754 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CS3 1 2.119 2 2 -14.6654231611479 2998751 CC1CC2=CC=CC=C2N1C3=NS(=O)(=O)C4=CC=CC=C43 1 2.854 2 2 -5.73421711691946 2998748 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4 1 3.282 3 3 -8.81025012647263 2998747 CN1C(=NN=N1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 2.829 4 1 -10.8802605713593 2998745 CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 3.032 2 3 -10.7356874960139 2998744 CC1=CC(=NO1)NC(=O)COC(=O)C2COC3=CC=CC=C3O2 1 1.233 2 6 0 -15.3939847338831 2998743 COC1=CC=C(C=C1)C(=O)NCC(=O)OC2CCCCC2=O 1 1.614 1 5 0 -13.3331408263457 2998742 C1CC(OC1)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)N=C2COC5=CC=C(C=C5)Cl 1 3.139 3 5 0 -21.3602271617303 2998740 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCN3C=CN=C3)C 1 1.515 4 3 0 -21.7190452167158 2998738 C1CSC(=N1)NC(=O)C2COC3=CC=CC=C3O2 1 1.875 2 3 0 -10.2767765594718 2998737 CCOC(=O)CCCNC(=O)CN1C(=O)C(NC1=O)CCC2=CC=CC=C2 1 1.227 3 5 0 -22.4275534504725 2998736 CC1=CSC(=N1)NC(=O)C2CCCO2 1 0.563 2 2 0 -13.4035780593066 2998735 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=COCCO2 1 0.439 1 7 0 -17.0084349870448 2998732 CCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=CC=C3 1 4.549 3 3 -5.4181917457406 2998731 CC1CCCN(C1)C(=O)COC(=O)C2=NNC3=CC=CC=C32 1 2.259 3 3 -17.2567286446419 2998730 CC(C)NC(=O)NC(=O)COC(=O)CC1=CSC=C1 1 0.948 2 4 0 -16.9096791256599 2998728 CC(C)N1C(=CSC1=NC2=CN=CC=C2)C3=CC=CO3 1 2.558 3 1 6.56282900195807e-002 2998727 COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4 1 2.999 5 2 0 3.40529823519253 2998726 CC1CC2=CC=CC=C2N1C(=O)COC(=O)CN3N=C(N=N3)C4=CC=CC=C4 1 2.506 5 3 0 -8.79856689828879 2998725 CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3)C4COC5=CC=CC=C5O4 1 3.205 3 5 0 -7.10564979763106 2998724 CCC(C)(C)C1=CC=C(C=C1)OCC(CN2CCC(CC2)C(=O)OCC)O 1 3.974 1 4 -7.03335569683684 2998722 CC1CN(CC(O1)C)C(=O)C2=CC3=C(S2)CCC3 1 2.567 1 2 -14.0824875040897 2998721 COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC4=CC=CC=C4O3 1 3.634 4 3 0 -11.7928301767626 2998720 CC1=CC=C(C=C1)N2C=CC=C2C(=S)N=P(N(C)C)(N(C)C)N(C)C 1 3.431 5 0 0.984235670621501 2998718 CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CO4 1 2.242 3 3 -10.2848195826302 2998716 C1=CC=C(C=C1)CCC=NN2C=NN=C2 1 1.428 4 0 0 0.161308153775602 2998714 C1COCCN1C2=CC(=C(C=C2)P(=S)(N3CCOCC3)N4CCOCC4)N5CCOCC5 1 0.536 4 4 0 -7.5352292405386e-002 2998713 CCOC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C)C#N 1 3.384 2 3 -35.651635096664 2998712 CC1=CC(=NC2=NN=C(N12)SCCC(C)C)C 1 3.449 4 0 -12.0404784117388 2998710 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CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NCCCN3CCCC3=O 1 2.083 3 4 0 -25.7315632314129 2998430 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 2.096 2 5 0 -16.2932028163816 2998429 C1CC2=CC=CC=C2C3(C1)C(=O)N(C(=O)N3)CC(=O)N4CCC5=CC=CC=C5C4 1 2.638 3 3 -10.0987698695414 2998428 CN(C)C1=CC=C(C=C1)P(=S)(C2=NC=CN2C=C)C3=NC=CN3C=C 1 3.476 5 0 -5.21278543716706 2998427 CC1CN(CC(O1)C)C(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl 1 2.6 1 4 -11.2804881882683 2998425 C1CC(C2=CC=CC=C2C1)NC(=O)COC3=CC=C(C=C3)C4=NN=CO4 1 2.771 3 3 -6.3090464832314 2998424 CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC=CO2 1 3.41 1 2 -4.34460657034048 2998423 C1CC(C2=CC=CC=C2C1)NC3=NCCC3 1 2.489 2 0 -5.03944371705629 2998422 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NCCCN2C=CN=C2 1 2.337 4 1 -8.20436185906304 2998420 CC(=C1C(=O)CC(CC1=O)(C)C)NC2=CC3=C(C=C2)N(C(=N3)CO)C 1 1.847 3 3 0 -5.76615811985534 2998419 CN1C2=NC3=C(C(=C2C(=O)N(C1=O)C)C4=CC=NC=C4)C(=O)C5=CC=CC=C53 1 2.253 4 3 0 -3.41338153858603 2998418 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CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=C(ON=C3C)C)C 1 3.476 2 4 -14.6628744787711 2998212 CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.36 2 5 0 -21.8012552757639 2998211 COC1=CC=C(C=C1)C(CNC(=O)COC2=CC=CC=C2C#N)N3CCOCC3 1 2.174 3 4 0 -18.3577254634528 2998208 C1COC(=CO1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 3.e-003 1 7 0 -13.3128031756384 2998207 C1CSC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CO3 1 3.227 1 3 -18.4416259996957 2998206 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCOC4=O)OC 1 3.503 2 5 0 -14.4655707333015 2998204 CC1=C(C(=NO1)C)COC(=O)C2COC3=CC=CC=C3O2 1 1.924 1 5 0 -9.91965310288688 2998202 CC(C(=O)N)SC1=CC=C(C=C1)Br 1 2.458 1 1 -1.16396826158412 2998201 CC1C(=O)N(/C(=C(/C#N)\C(=O)NCC2=CC=CO2)/S1)CC3=CC=CO3 1 1.551 3 4 0 -12.4087888803704 2998200 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CSC(=N3)N 1 2.257 3 2 -1.74393410197589 2998197 CN1C(=NN=N1)SCC2CN=C(S2)C3=CC=C(C=C3)OC 1 2.377 5 1 -12.7244080125464 2998196 CC(C)(C)N1C(=O)CC2=C1N=C(C3=C(N=C(C(=C23)C#N)N4CCCCC4CO)N)N 1 1.054 7 2 0 -8.62741745757787 2998195 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC4=CC=CC=C4C3 1 2.631 3 2 -15.2033833835243 2998194 CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=NN3C)C 1 3.133 5 1 -16.4494488087857 2998192 C1=CC=C(C=C1)C2=NN=C(O2)SCC3=CN4C=CSC4=N3 1 2.482 4 1 -4.65843704692133 2998190 CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)OC 1 0.679 2 8 0 -18.3078031008085 2998187 CC1CCCCN1C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.553 2 4 -10.7601497091185 2998186 C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NCCC4=CNC5=CC=CC=C54 1 3.69 3 3 -13.72987277099 2998185 CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)C 1 3.859 1 5 -4.98385413344578 2998184 CC1=CC(=C(C(=C1)C)NC(=O)C2CSCCS2)C 1 3.457 1 1 -4.1130895257998 2998183 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NN=C(O3)C4=CC=CC=C4 1 2.426 5 3 0 -17.5562968389965 2998180 CC1=C(C(NC(=O)N1)C2=CC=CC=C2OC)C(=O)C 1 0.923 2 3 0 -27.3391660187616 2998179 C1CC2=NS(=O)(=O)NC(N2C1)C3=CC=C(C=C3)Cl 1 1.321 3 2 0 -3.1454439906765 2998178 CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=O)C(NC3=O)(C)C4=CC5=C(C=C4)OCO5 1 2.944 2 6 0 -6.07047027157315 2998177 CC1=NC2=CC=CC=C2C(=C1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.888 3 4 0 -19.8068622738686 2998176 CC1CC2=CC=CC=C2N1CC(=O)NCCOC 1 1.373 2 2 0 -14.749868037582 2998173 CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.44 3 3 -10.8068421416447 2998172 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N2CC(OC(C2)C)C)C 1 1.614 2 6 0 -19.1012140784451 2998170 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC(=CC(=C2)NC(=O)C)NC(=O)C 1 -0.366 3 6 0 -19.6601564866759 2998169 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)NC3=CC=C(C=C3)C 1 2.342 2 5 0 -16.4349287461903 2998168 CC1=CC(=NC2=NC(=CN12)CSC3=NN=C(O3)C4=CC=CC=C4)C 1 2.931 5 1 -5.23522489537936 2998166 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=C(O3)C(=O)OC 1 3.58 3 5 0 -19.3815904587985 2998165 C1CC2=C(C(NC(=O)N2)C3=CC4=C(C=C3)N=CC=C4)C(=O)C1 1 1.488 3 2 0 -22.7911704524763 2998164 CN(C)C=NC1=C(C=NN1C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4)C#N 1 3.198 7 0 0 -2.6977389024494 2998163 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=NN=NN4C5=CC=CC=C5 1 3.923 5 3 0 -27.2689366595942 2998162 CC1=C(C(=NO1)C)CN2C(=O)C(NC2=O)(CC3=CC=CC=C3)CC4=CC=CC=C4 1 3.419 3 3 -6.8166264317088 2998153 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3CCS(=O)(=O)C3 1 1.328 3 4 0 -16.4937706266843 2998152 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NN=C(S2)C3CC3)C 1 2.09 4 3 0 -15.0660900260771 2998151 CC1(C(=O)N(C(=O)N1)CC2=NN=C(O2)C3=CC=CC=C3Br)CCC4=CC=CC=C4 1 3.677 4 3 0 -4.64486204635005 2998149 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)CC(=O)N(C)C4=CC=CC=C4 1 3.082 3 1 -1.20304621860867 2998148 CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3 1 2.862 2 4 -15.7044424432242 2998147 CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=CC(=C(C(=C4)OC)OC)OC 1 4.263 2 6 0 -12.469742463373 2998146 CC(C)(C)P(=NC(=O)C1=CC=CC=C1F)(N2CCOCC2)N3CCOCC3 1 1.492 3 3 0 -6.11486170289736 2998145 CC1=CC=C(C=C1)C2C(=C(N3C(=O)CSC3=C2C(=O)NC4=CC=CC=C4)N)C#N 1 2.768 4 2 -17.1082537765866 2998144 CCC1CCCCN1C(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.691 3 3 -15.9599143941386 2998143 CC1(C2CC=C(C1C2)C=NN3C=NN=C3)C 1 1.494 4 0 0 5.51018594239222 2998142 CC1=C(SC2=C1C(=NC=N2)SC(C)C#N)C 1 3.039 3 0 -4.44064801561162 2998140 CC1C2=CC=CN2CCN1CC(COCC3=CCC4CC3C4(C)C)O 1 3.082 2 2 -6.83735037928629 2998139 COC1=CC2=C(C=C1)C3(CCC2)C(=O)NC(=O)N3 1 1.492 2 3 0 -3.3737247014321 2998138 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4 1 3.938 1 6 0 -15.6463806352351 2998136 CN1CCN(CC1)C(=O)NC2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.364 4 3 0 -9.35497640440345 2998135 CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)OC(C)(C)C 1 3.985 0 5 -11.7015810943085 2998131 CC(C)CN1C(=CC(=O)N=C1SCC(=O)NC2CCCC3=CC=CC=C23)O 1 3.95 3 3 -19.5499196653449 2998130 C1CN(CCN1C2=CC=CC=N2)C3=NC=CN=C3 1 0.627 5 0 0 3.17861645877169 2998129 CC1=NC=CN1C2=C(C=C(C=C2)C(F)(F)F)NC=O 1 1.744 3 1 0 1.20699729958857 2998128 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=CC=C(O4)C(=O)OC 1 4.234 4 3 0 -11.9205618353799 2998127 CC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)N3CCCC3 1 3.126 3 1 -5.54902739773344 2998126 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N2C(CC3=CC=CC=C32)C)C 1 3.2 2 5 0 -15.7835076842937 2998125 C1C2CC3CC1CC(C2)(C3)NC(=O)COC4=CC5=C(C=C4)OCO5 1 2.784 1 4 -9.01995091617652 2998123 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CC3=CC(=C(C=C3)OC)OC 1 3.131 2 6 0 -14.3145998305802 2998122 C1CC1C(=O)NC2=CC=C(C=C2)C3=CN4C=CSC4=N3 1 2.126 3 1 -2.18576590912195 2998121 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)OCCO4 1 3.853 2 3 -9.07569259567728 2998118 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC=NC=C3 1 2.586 3 1 -7.62823184670414 2998117 C1CC(=O)NC1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3 1 1.609 1 4 0 -9.4565240840852 2998115 C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)S(=O)(=O)N 1 2.995 4 2 -4.55101838187817 2998114 C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC=CC=C4OC(F)F 1 2.802 1 5 -7.98577787223884 2998113 CC1=CC=C(C=C1)C(=O)CN2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C 1 1.413 5 4 0 -15.9757870103928 2998112 CCOC(=O)NC(=O)CN1C(=O)C(NC1=O)(C)C2=CC=CC=C2 1 0.912 3 5 0 -8.81547475904235 2998111 CN(C)C=NC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C#N 1 1.898 6 0 0 2.39719486853898 2998110 C1CC(OC1)CNC(=O)COC(=O)CC2=CC(=CC=C2)C(F)(F)F 1 2.081 1 4 -13.3654587038797 2998109 C1CCC(CC1)(CNC(=O)C(CC2=CC=CC=C2)NC(=O)N)N3CCCCC3 1 3.034 4 2 -12.9319311766865 2998107 CC1=CC(=CC=C1)NC2=NN=C(S2)SCC3=CN4C=CSC4=N3 1 3.056 5 0 -4.31756347256576 2998104 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=NC=C4 1 2.362 2 1 -6.22440181900178 2998103 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N2CCCCC2C)C 1 2.466 2 5 0 -15.9453059437903 2998102 CC(C1=CC=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 1.836 3 4 0 -16.046529346254 2998099 CC1CN(CC(O1)C)C2=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C52 1 2.612 4 2 -8.46991062369127 2998098 C1CCC(C1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3 1 1.799 4 1 0 -4.66562411894484 2998096 CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=CSC5=N4 1 4.562 4 1 -12.0367518596449 2998094 C=CCSC1=NC2=CC=CC=C2N1CC3=NN=C(O3)C4=CC=CS4 1 4.281 4 1 -13.722908743642 2998089 CC1=CC=C(C=C1)N2C(=CC3=C2CCCC3=O)C 1 3.729 1 1 -2.42538679079302 2998087 CC1CCCCN1C2=C3C(=C(SC3=NC=N2)C)C 1 3.739 3 0 -4.21000409655436 2998086 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)NC4=CC=C(C=C4)Cl 1 3.641 3 1 1.95722199647358 2998085 CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCC(CC2)C(=O)OCC 1 1.89 3 4 0 -20.3674081641918 2998084 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CN4C=CSC4=N3)C5=CC=C(C=C5)F 1 4.289 4 1 -15.4408052656017 2998083 CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(S2)N=C4N3C=CS4)C 1 4.325 3 1 -6.15039417419377 2998082 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N)C 1 0.717 4 4 0 -15.3277236252911 2998081 CC1=NN=C(C2=CC=CC=C12)OC3=CC=CC=C3F 1 3.707 2 1 0.445483550571346 2998080 C1=CC=C(C=C1)C2=CN=NC(=N2)SCC3=CN4C=CC=NC4=N3 1 2.747 6 0 0.976906252076297 2998079 CC1CN(CC(O1)C)C(=O)CSC2=NN=C(S2)NC3=CC(=CC=C3)OC 1 1.992 4 3 0 -18.5607850847234 2998078 CN1CCCC(C1)OC(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.642 1 2 -1.33825651927505 2998077 CC(C(=O)N(C1CC1)C2(CCCC2)C(=O)NC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O 1 3.21 3 4 0 -13.1604013951882 2998076 CC1=CC(=NO1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC(=C(C=C3)OC)OC 1 0.818 4 6 0 -20.4880711457292 2998073 CCOC(=O)C1=C(NC(=C(C1C(=O)OC2CCOC2=O)C(=O)OCC)C)C 1 0.419 1 8 0 -18.2178786307657 2998072 CC1=CC(=C(C=C1)N2C(=NN=N2)SC(C)C(=O)N)C 1 2.11 5 1 -13.7116975561012 2998071 CC(C)C1C(=O)N=C(O1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.76 3 3 -3.2005843598236 2998070 COC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32)OCC(=O)N4CCOCC4 1 2.155 2 7 0 -17.9830837218734 2998069 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)COC2=CC=CC=C2F 1 0.499 1 6 0 -19.2844433371265 2998068 CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CS(=O)(=O)C3=CC=CC=C3 1 2.239 2 5 0 -29.4479058452639 2998067 CC1CC(C2=CC=CC=C2N1)N(C3=CC=CC=C3)C(=O)C4=CC=CO4 1 3.895 2 2 -4.80823079689816 2998066 CC1=CC=C(C=C1)N2C(=NN=N2)SC(C)C(=O)NC3=NC=C(C=C3)Cl 1 3.46 6 1 0 -13.1272347873388 2998063 CC1CN(CC(O1)C)CC2=CC(=O)N3C=CSC3=N2 1 0.627 3 2 0 -15.1039586973038 2998062 CC1=CC(=NC2=NC(=CN12)CSC3=NCCS3)C 1 2.579 4 0 -8.11781373573627 2998061 CN1C=CC=C1C(=O)NC(=O)COC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3 1 3.031 2 5 0 -7.37091267222397 2998058 CC(C)CCNC(=O)NC(=O)CN1C(=O)C2(CCCCC2)NC1=O 1 1.393 4 4 0 -15.2042411141135 2998057 CC1=CC=CC(=C1O)C(=O)C2=CC=CC=C2C(=O)O 1 3.108 0 4 -3.945931436842e-002 2998056 CC1=CN2C(=N1)C3=CC=CC=C3C(=N2)N 1 1.086 4 0 0 -1.66437465945912 2998055 C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N(C(=O)N3)CCOC4=CC=C(C=C4)F 1 3.216 3 3 -2.00262841900806 2998054 CC1=CC(=O)C=C(N1C2=CC3=C(C=C2)N(C(=N3)C)C4=CC=CC=C4)C 1 4.143 3 1 -0.760727483540819 2998053 CC1=C(N2C=CC=CC2=N1)P(=NC3=CC=CC=C3)(N(C)C)N(C)C 1 2.247 5 0 4.55162757111799e-002 2998052 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=C(ON=C4C)C 1 3.296 2 5 0 -21.6114129261059 2998051 CCNC(=O)NC(=O)C(C)OC(=O)C1=C(N=CC=C1)SC 1 1.288 3 4 0 -16.6852551787774 2998050 CC1=CC=C(C=C1)C2(NC(=O)N3CCCN=C3S2)C(F)(F)F 1 3.776 3 1 -5.65211181102858 2998049 CCCCC(CC)CN1C2=C(C3=NC4=CC=CC=C4N=C31)C(=N)OC(=N2)C 1 5.263 5 1 -8.27343173609577 2998048 C1C(=O)N(C(=O)S1)CCNC(=O)CSC2=NC(=CN2N)C3=CC=CC=C3 1 1.385 5 3 0 -19.6475612246908 2998044 CC1=C(C(=NO1)C)CN2C(=O)C3(CCC4=CC=CC=C4C3)NC2=O 1 2.045 3 3 -8.66092111830339 2998042 C1=CC2=NC(=CN2C=C1)CSC3=NN=C(O3)C4=CC=CO4 1 2.146 4 2 -6.94261156146721 2998039 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCCC4=CC=CC=C34 1 2.711 3 3 -20.0355151343423 2998038 COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)N3CCOCC3 1 1.954 2 4 0 -3.63413853727155 2998037 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)C2=C3N(CC2)C(=CS3)C4=CC=CC=C4 1 3.069 2 3 -10.194834855606 2998036 CC1(CC(=CC(=O)C1)NC2=NC=C(C=C2)Br)C 1 2.368 2 1 -14.2267447864209 2998035 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C(=O)C4=CC=CC=C4S3(=O)=O)CCC 1 2.407 5 5 0 -5.30608264753408 2998034 COC1=CC=CC=C1NC(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3 1 3.684 3 2 -7.28396764484697 2998033 CCC1CCCCN1C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.435 1 4 -9.17947095519785 2998030 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC(=O)NCCOC 1 -0.199 3 6 0 -15.3366482470126 2998029 CC1=C(N2C=CSC2=N1)C3=NC(=C(S3)C(=O)C4=CC5=C(C=C4)OCC(=O)N5)C6CC6 1 2.919 4 3 0 -6.82951814122337 2998028 CC1=CN=C(S1)NC(=O)CN2C(=O)C3CC=CCC3C2=O 1 0.213 3 3 0 -7.630026998926 2998026 CC(C1=CC=CO1)N(C2=CC=CC=N2)C(=O)C3=CC=C(S3)Cl 1 3.87 2 2 -2.96239592123898 2998024 CCN1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N 1 2.562 4 1 -20.4887720264025 2998022 CC1=CC2=NN=C(N2C3=CC=CC=C13)SC(C)C#N 1 3.726 4 0 -6.44591059164628 2998021 C1C(OC2=CC=CC=C2O1)C3=NN=C4N3C5=CC=CC=C5SC4 1 3.163 3 2 -2.15295368552804 2998017 CCC1(C(=O)N(C(=O)N1)CC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C)C3=CC=CC=C3 1 3.076 3 5 0 -10.5347346972165 2998016 C1CCC(=O)C(C1)OC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.358 0 5 -8.31135014906743 2998015 C1C(OC2=CC=CC=C2O1)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 1 3.091 3 5 0 -18.6673367345024 2998014 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4 1 1.818 3 6 0 -17.0275126700642 2998010 CC1=CC(=C(N1CC=C)C)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.325 2 3 -11.750174962909 2998009 CCOC(=O)C1=C(OC=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.1 2 6 0 -26.6705030792047 2998008 CC(C)CN(CC(C)C)C1=C(C(=C(C(=N1)N)C#N)CC#N)C#N 1 3.228 6 0 -7.51688090037541 2998007 C1=CC2=C(C=CN=C2)C(=C1)NC(=O)CC3=CN4C=CSC4=N3 1 1.307 4 1 0 -7.94221108282788 2998005 C1CCC(CC1)SCC2=CN3C=CSC3=N2 1 2.923 2 0 -2.90955809498025 2998003 CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2CCS(=O)(=O)C2 1 0.183 2 5 0 -23.5792581638434 2998001 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3 1 0.226 1 7 0 -21.4756127969994 2998000 CC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=NC3=CC=CC=C3)S2)CCOC 1 2.717 3 4 0 -13.3434289474294 2997999 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=CC(=O)N5C=CSC5=N4 1 3.187 6 1 0 -19.070962182736 2997998 C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC(=O)N3CCOCC3 1 0.907 2 5 0 -19.0090053007853 2997997 CN1CCC(CC1)N(C)C(=O)C2=CC=CC=C2NC3=CC=C(C=C3)SC(F)F 1 4.268 3 1 -0.900801291519876 2997996 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC3=NC=NC4=CC=CC=C43 1 1.64 5 3 0 -13.6115287930429 2997993 CC1=CC=C(C=C1)NC2=NC(=CS2)CSC3=NN=NN3C 1 2.418 6 0 -8.64901048688448 2997991 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4 1 3.808 0 6 -6.15716777634665 2997989 CC(C(=O)NC1=CC=CC=C1OC)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.509 2 4 -14.1944477256018 2997987 CC1=C(SC2=NC=NC(=C12)OCC(=O)NCC3CCCO3)C 1 1.685 3 3 0 -14.3769227604511 2997986 C1COC(=O)C1SC2=NC3=C(S2)C=CC(=C3)Cl 1 3.385 1 2 -1.11270189361869 2997985 CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CC(=O)O)C(=O)O 1 1.655 2 6 0 -20.2591136840487 2997984 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)CCOC2=CC=C(C=C2)C 1 2.197 1 6 0 -13.5412171257148 2997983 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCCN3C=CN=C3)Cl 1 0.311 4 4 0 -20.9292717540759 2997980 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)C3COC4=CC=CC=C4O3 1 2.415 2 8 0 -15.7965468849225 2997979 CC1=CC(=C(N1CC=C)C)C(=O)COC2=NN=CC3=CC=CC=C32 1 3.106 3 2 -6.55831584145205 2997978 C1COC(=O)C1SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4 1 3.668 3 2 -8.90898856955451 2997976 CC1CN(CC(O1)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.491 2 5 0 -26.5244990087482 2997975 C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)CNC(=O)C3=CC=CO3 1 3.115 1 5 -15.9378725113157 2997973 CC(C(=O)N1CCOCC1)SC2=NC3=CC=CC=C3S2 1 2.434 2 2 -8.60178192602752 2997972 CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3COC4=CC=CC=C4O3 1 3.171 3 3 3.28507131820371 2997971 CC(C)C(C(=O)OCC(=O)NCC1=CC=CO1)NC(=O)OCC2=CC=CC=C2 1 2.459 2 6 0 -22.6225885242029 2997969 C1=CC=C2C(=C1)N=C(N2CCC#N)SCC(=O)NCCC3=CC=C(C=C3)F 1 3.783 4 1 -14.9621864301987 2997968 CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3CCCCO3 1 3.085 4 2 -18.68729698733 2997967 CC1CN=C(S1)N(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)NC4=CC=CC=C4 1 3.263 5 2 0 -14.5521503419096 2997966 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)N4CC(OC(C4)C)C 1 3.03 5 2 0 -17.6509710095178 2997964 C1=CC2=C(C=CC(=C2N=C1)OCC3=CN4C=CC=NC4=N3)Cl 1 2.818 4 1 -2.51499511943002 2997962 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3CCC(=O)N3 1 1.166 2 4 0 -10.8328454691223 2997961 CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)C3(C4=C(C=CC(=C4)F)NC3=O)O)N)C 1 1.113 6 2 0 -4.74948636596089 2997960 C1=CC=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3N=C2NCCO 1 1.854 4 2 0 -12.4127070957197 2997959 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NCC2=CC=CO2 1 2.507 1 7 0 -20.7926185444121 2997958 CC1(C(=O)N(C(=O)N1)CC(=O)NC(=O)NCC2=CC=CO2)C3=CC=C(C=C3)Cl 1 1.345 4 5 0 -8.55282747776093 2997957 CN1C2=C(C(=NP(=N2)(N(C)C)N(C)C)C3=CC=CC=C3)C(=N1)N 1 0.56 7 0 0 2.14579175508634 2997956 CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3CC(=O)N(C3)C4=CC=CC=C4OC 1 2.798 2 5 0 -17.0619808555044 2997955 CC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.941 3 5 0 -12.0763864839065 2997954 C=CCC(=O)OCC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 2.95 1 4 -9.45553534213592 2997953 CC1=CC=CC=C1NC2CS(=O)(=O)C=C2 1 1.505 1 2 0 0.29909337676665 2997952 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NN=CN3C4=CC=C(C=C4)OC 1 3.007 6 3 0 -13.0007625723799 2997950 COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=O)NC3=CC=CC=C32)N4CCCC4 1 2.616 3 3 -20.1000729358333 2997949 CC1=CC=CC=C1N2C(=NN=N2)SCC3=CN4C(=CC(=NC4=N3)C)C 1 3.006 7 0 0 -17.0444501519891 2997948 C1CCN(C1)C2=NC(=C3C(=C2)C(=C(N=C3N)N4CCCC4)C#N)N 1 1.605 7 0 0 -3.76682323763444 2997947 C1CC(OC1)CNC(=O)COC(=O)C2=CC=CNC2=O 1 -1.09 2 5 0 -21.1496457658798 2997946 C1CCN(CC1)C(CNC(=O)CC2=CSC=C2)C3=CC=CO3 1 2.691 2 2 -17.1874044703359 2997944 CC(=O)N1C(C(=O)C2=CC=CC=C21)N3CCCCC3 1 2.056 2 2 -5.29603125285876 2997942 CN1C=CN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3 1 3.988 3 1 -9.09546165449897 2997940 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 1.354 2 6 0 -21.1156092831 2997939 CC12CCC(=O)N1C(CS2)C(=O)OCC(=O)NC3=C(C=CS3)C#N 1 0.291 3 4 0 -14.618076621013 2997937 CCCN1C2=CC=CC=C2N=C1NCC3=CC=C(O3)C 1 3.212 3 1 -3.2498342895362 2997936 C1CCC2(CC1)CC(CC(N2)C3=CC=CO3)O 1 1.832 1 2 0 -2.74041856750071 2997934 CCCC1=NN=C2N1N=C(CS2)C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl 1 5.712 4 1 0.129587635187304 2997933 CC1=CC(=NO1)NC(=O)COC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl 1 4.365 4 4 0 -23.9051923204255 2997930 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 3.287 4 4 0 -22.875845230955 2997928 CC1=CC(=NC2=NC(=CN12)CSCC3=CC=CO3)C 1 2.279 3 1 -2.78008865732356 2997927 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3CCCCC3 1 2.947 2 3 -14.4854682458838 2997924 C1CC2=CC=CC=C2N3C1C(=O)C(=C3N)C4=CC=C(C=C4)Br 1 4.082 2 1 -1.25156005553463 2997923 C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C(C4=CC=CC=C4)O 1 2.27 1 4 -11.8725291230017 2997922 CC1(CCS(=O)(=O)C1)NC(=O)CCCSC2=CC=CC=C2 1 1.713 1 3 0 -12.3934545156038 2997920 CC1CCC(C(C1)OC(=O)COC(=O)C2=CNC(=O)C=C2)C(C)C 1 2.336 1 5 -9.92758444444298 2997917 CC(CN1CCOCC1)(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.384 2 3 -7.36459087259423 2997916 CC1CC2=CC=CC=C2N1C(=O)CSC3=NCCS3 1 3.154 2 1 -15.311844305929 2997913 CC1(C(=O)N(C(=O)N1)CC(=O)C2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3 1 2.299 2 5 0 -7.93101531674561 2997912 CC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)OC)OC 1 2.969 0 5 -6.54749989056973 2997911 CC(C1=CC=C(C=C1)Cl)OCC(CN(C)CCOC2=CC=CC=C2)O 1 3.936 1 3 2.53040485359391 2997910 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 1.978 2 5 0 -19.9964069416959 2997909 C1=CC(=CC=C1C2=NN=C(O2)COC(=O)C3=CC=NC=C3)Cl 1 2.275 3 3 -4.59425915929085 2997908 CC1=CC(=NC2=NC(=NN12)SCC3COC4=CC=CC=C4O3)C 1 3.331 4 2 -8.88175751170709 2997906 CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NN=NN2C3=CC=CC=C3 1 2.973 6 1 0 -13.7937272979264 2997902 CC1=CC(=NO1)NC(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C 1 1.189 4 5 0 -23.2544582994692 2997900 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC4=CC=CC=C4N3 1 2.206 4 3 0 -12.1244736255536 2997899 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4 1 3.313 3 3 -24.5210886052994 2997897 CC1CC(CN(C1)CC(C)(C)NS(=O)(=O)C2=CC=CC=C2)C 1 3.018 2 2 -11.4322646264291 2997896 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.389 2 6 0 -23.0131887061902 2997894 CC(C)CNC(=O)CSC1=NN=C(N1C2=CC=CC=N2)CN3CCCCCC3=O 1 2.394 6 2 0 -29.1388061768096 2997893 CC1(C(=O)NC(=O)N1)CC2=CC3=C(C=C2)OCO3 1 0.959 2 4 0 -4.59905943730872 2997891 CC1=NN(C2=C1C=C(S2)C(=O)OC3CCOC3=O)C4=CC=CC=C4 1 2.949 2 4 -9.24737502525585 2997890 CC(C(=O)O)SCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 1 1.431 2 5 0 -23.6988920630466 2997889 CC(C)(C)C(=O)NC1=CC=C(C=C1)C2=CN3C=CSC3=N2 1 2.915 3 1 -9.15976481625759 2997888 CN1CCC2(CC1)NC3=C(CCN(C3)C)C(=O)N2 1 -0.204 4 1 0 -4.54436760235648 2997887 CC1CCCCN1C(=O)CN2C3=CC=CC=C3OC2=O 1 2.106 2 3 -7.58870615684838 2997886 C1CCC(CC1)NC(=O)NC(=O)CN2C(=O)C(NC2=O)CC3=CC=CC=C3 1 1.783 4 4 0 -11.5179828442373 2997885 COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=CC3=C(C=C2)OCCO3 1 2.962 2 4 -16.2485261121221 2997882 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC3=CC=CC4=C3N=CC=C4 1 3.151 3 5 0 -14.6040603389705 2997881 C1CCC2=C(CC1)SC(=C2C(=O)N)N 1 1.711 2 1 0 -3.4024180484857 2997880 C1CCCN(CC1)C(=O)CSC2=NCCS2 1 2.498 2 1 -14.8419773091056 2997878 CS(=O)(=O)N(C1CCCCC1)C(=O)NC(=O)NC2CCS(=O)(=O)C2 1 0.296 3 6 0 -11.1657945804388 2997876 CCS(=O)C1=CC=CC=C1C(=O)O 1 1.238 0 3 0 -4.56176668087636e-002 2997875 C1=CC=C2C(=C1)NC3=C(S2)N=CC(=C3)C(F)(F)F 1 3.999 2 0 2.10712572258109 2997873 CC1(CC2CC(C1)(CN2C(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3)C)C 1 1.261 3 5 0 -13.6299940112449 2997871 CC1=NN(C2=C1C3(C4=CC=CC=C4N(C3=O)C(=O)C)C(=C(O2)N)C#N)C5=CC=CC=C5 1 2.16 5 3 0 -4.72108426923453 2997870 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=NC=C(C=C3)Cl 1 2.897 3 3 -10.4800770479714 2997869 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CNC(=O)C2CCCCC2)C 1 2.684 2 6 0 -15.9814856211819 2997867 CC12CS(=O)(=O)CC1SC(=S)N2C3=CC=CC=N3 1 2.762 2 2 -5.29531781341157 2997866 C1CC(OC1)CN2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)C4=CC=CS4 1 4.545 3 2 -19.1061043515032 2997865 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CN3C=NC4=CC=CC=C43 1 2.98 4 2 -6.96754459336553 2997864 CC(C)NC(=O)CSC1=NC2=CC=CC=C2N1C3=CC=CC=C3 1 3.997 3 1 -16.2786819058402 2997863 CC1CCCCC12C(=O)N(C(=O)N2)CC3=CC=C(O3)C(=O)OC 1 2.205 2 5 0 -7.29078560024732 2997861 CCOC(=O)C=C1N(C(=O)C(=CC2=CC=CC=C2OC)S1)CC(=O)N3CCOCC3 1 1.527 2 6 0 -10.3909229300272 2997860 CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)N(CC(C)C)C3CCS(=O)(=O)C3)C 1 3.52 3 3 -19.3233811270423 2997859 C1CN(CCN1CC(=O)NCCC2=CC=CC=C2)C3=CC=CC=N3 1 2.302 4 1 -7.07106761927359 2997858 C1CS(=O)(=O)CC1NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32 1 1.037 2 5 0 -21.1445979570887 2997857 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=C(OC(=C3)C)C 1 2.374 1 4 -13.5965197818365 2997855 CC1CCCC(C1C)NC(=O)CSC2=C(C=CC=N2)C(=O)O 1 2.879 2 3 -17.5070624945224 2997853 C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC3=CC=CC=C3 1 3.084 1 3 -11.7929593469475 2997852 CCCCN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)F)N(C=N2)CC4=CC=CO4 1 3.783 4 3 0 -7.39238492631761 2997851 C1COC2=C(O1)C=CC(=C2)NC(=O)COC3=C4C=CSC4=NC=N3 1 2.057 3 4 0 -11.6113741660094 2997850 C1CCC(CC1)NC(=O)NC(=O)CN2CCN(CC2)C3=CC=CC=N3 1 2.036 5 2 0 -5.91116762658477 2997849 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3)C 1 2.44 2 6 0 -18.7571475469112 2997848 CC1=CN2C(=NC(=C(C2=O)C=NCCCN3CCOCC3)NCCCN4CCOCC4)C=C1 1 7.e-002 6 3 0 -12.4919720918493 2997847 C1COCCN1S(=O)(=O)C2=CC=C(S2)C3=C(COC3=O)C4=CC=CC=C4 1 2.228 1 5 -12.3149312901046 2997845 COC1=C(C=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)N)OC 1 1.977 3 4 0 -10.2510570046794 2997844 CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(O3)C(=O)OC 1 3.395 2 5 0 -21.8786901618321 2997843 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)NCC3=CN=CC=C3 1 1.634 4 3 0 -13.4208575518343 2997842 CC1=C(NC(=C1C(=O)C)C)C(=O)COC2=CC=CC=C2OC 1 2.809 1 4 -9.47122253935612 2997840 C1=CC2=NC(=C(N2C=C1)Br)CSC3=NN=C(O3)C4=CC=CO4 1 3.129 4 2 -5.38926079551614 2997836 CN(C)C(CNC(=O)CCCC1=CNC2=CC=CC=C21)C3=CC=CO3 1 3.318 3 2 -14.3490795222717 2997835 CCOC1=CC=C(C=C1)OCCN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 3.679 2 4 -0.98787858214413 2997834 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)CNC(=O)C3=CC=C(O3)Br 1 1.13 2 7 0 -19.2478948336027 2997833 CCN1C2=C(C=C(C=C2)C(=O)NC3CCCC4=CC=CC=C34)NC(=O)C1=O 1 2.413 3 3 -12.2448383845083 2997832 C1CC(=O)NC1C(=O)OCC2=C(C=CC(=C2)Cl)OC(F)F 1 2.525 1 4 -6.78838611137166 2997830 CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC3CCCO3)C 1 2.225 4 2 -23.4304493476153 2997829 CC1=CC=CC=C1OCCN2C(=O)C3(CCC4=CC=CC=C43)NC2=O 1 3.376 2 3 -0.540060099381468 2997828 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CSC3=NC4=CC=CC=C4S3 1 4.024 3 4 0 -7.4044493869769 2997827 CC1CN(CC(O1)C)C(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl 1 2.781 4 2 -13.9550912930109 2997826 CC1=CSC(=N1)C(C#N)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.847 3 3 0 -18.0094864212633 2997825 CCOC(=O)C1=C(NC(=C1C)C(=O)CN2CC(OC(C2)C)C)C 1 2.239 2 4 -12.1157724853512 2997823 CC1CC1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br 1 1.228 2 3 0 -12.2369380901132 2997821 CC1=NN=C(C2=CC=CC=C12)NCC3=CC=CO3 1 2.043 3 1 -6.85966608063227 2997820 CC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4C3=O 1 1.458 2 7 0 -16.9759603192313 2997819 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCN3C=CN=C3)F 1 1.535 4 3 0 -10.8994855079301 2997817 C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)CC(=O)NC3=CC=C(C=C3)Cl 1 3.012 5 2 0 -17.3164349350318 2997816 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CC=C4OC 1 2.304 3 4 0 -12.9080816892781 2997815 CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NN4C=NN=C4 1 1.481 5 3 0 -13.5125504275929 2997814 CC1=CC(=NN1C(=O)CC2=CN3C=CSC3=N2)C 1 1.291 4 1 0 -10.9767274230078 2997811 CC1CCCC(N1C(=O)COC2=CC=C(C=C2)C3=NN=CO3)C 1 2.05 3 3 -6.61883917284144 2997810 CC(C(=O)NC1=CN=CC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 0.832 3 3 0 -14.5689247914412 2997808 CC1=CC(=NC2=NC(=NN12)SC(C)C(=O)NCC3=CC=CO3)C 1 2.177 5 2 0 -16.0150834421426 2997807 CC1=NN(C2=C1C=C(S2)C(=O)OC3CCCC3=O)CC4=CC=CC=C4Cl 1 4.326 2 3 -11.2709466015289 2997806 C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)N3CCC4=CC=CC=C43 1 2.71 2 2 -16.8364096926287 2997805 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 0.998 2 6 0 -29.989292134993 2997804 C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)O5 1 2.751 5 4 0 -10.724759793435 2997803 C1=CC=C(C=C1)CSCC2=CN3C=CSC3=N2 1 2.649 2 0 -4.63268220857888 2997801 CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)O)CCOC 1 0.861 4 5 0 -19.3205724174993 2997799 C1=CC=C(C=C1)OCC(=O)NC2=NC(=CS2)C3=CC=CS3 1 3.347 2 2 -2.77374775474172 2997798 CC1=CC(=NO1)N/C=C/2\CCCCC2=O 1 1.233 2 2 0 -11.1245813682377 2997797 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(CCSC)NC(=O)N 1 0.363 4 3 0 -16.5241561344911 2997796 C1=CC=C(C=C1)C2=NN=C(O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=C(C=C(C=C5)F)F 1 5.3 4 2 -15.6884380993673 2997794 C1COC(=O)C1SC2=NC3=CC=CC=C3N2 1 2.152 2 2 0.38707222368865 2997793 CC1=C(C(=NO1)C)C(=O)OCC(=O)NCCC2=CCCCC2 1 1.954 2 4 0 -20.5509939129558 2997792 CC(C)NC(=C1C(=O)CCC1=O)C 1 0.495 1 2 0 -10.7859680291583 2997791 C[C@]12CCC(=O)C=C1CCC3C2CC[C@]4(C3CC[C@]4(CC#N)O)C 1 3.308 1 2 -15.7990912207584 2997788 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=C(C=C(C=C3)OC)OC 1 3.891 3 5 0 -16.7443162584121 2997787 C1COC2=C(O1)C=CC(=C2)SCC(=O)NCC3=CC=CO3 1 1.982 1 4 0 -14.2894357384774 2997786 C1COC(=CO1)C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32 1 -0.753 2 6 0 -17.3202667235431 2997785 C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)N4CC(=O)NC5=CC=CC=C54 1 1.009 2 5 0 -13.3647022219985 2997784 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.628 3 6 0 -21.4698727397034 2997783 CC1=NC(=C2C3=C(CCC3)SC2=N1)NS(=O)(=O)C4=CC=CS4 1 2.808 3 2 -10.3842055312476 2997781 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2CCCCC2CN(C)C 1 3.135 2 4 -12.7339068028862 2997780 C1CC(CC=C1)C=NN2C=NN=C2 1 0.955 4 0 0 0.612567270552376 2997779 C1COCCN1C(=O)CC2=NC3=CC=CC=C3N2CC(=O)NC4=CC5=C(C=C4)OC(O5)(F)F 1 3.533 4 5 0 -15.2268720611895 2997778 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC3=NC=NC4=CC=CC=C43 1 2.124 5 3 0 -14.3555587249111 2997777 C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC=CC=C4N3CC(=O)C5=CC=CC=C5 1 4.52 4 1 -1.49148267019324 2997776 CC(C)C(C(=O)NCCC1=CC=CC=N1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.81 3 5 0 -25.7780526566605 2997775 CCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CC3=CC=CO3 1 0.476 4 3 0 -17.4991043787882 2997774 C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CC=CC=N3)SCC4=NC5=CC=CC=C5S4 1 4.003 6 1 0 -16.887670263125 2997773 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)SC3=NN=NN3C 1 3.144 5 3 0 -17.5470211467579 2997772 COC1=CC=C(C=C1)CCN2C(=O)CC(C2=O)N3CCOCC3 1 1.015 2 4 0 -1.85560949495253 2997771 CC1CCCC(C1C)NC(=O)COC(=O)CC2=CN3C=CSC3=N2 1 2.109 3 3 -15.6563258440601 2997769 CN1C=CN=C1SCC(=O)NC2CCCCC2 1 1.924 3 1 0 -12.0241350709573 2997768 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3CCS(=O)(=O)C3 1 1.42 2 5 0 -19.6453279276875 2997767 C1C(CN(C1C(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)N)O 1 0.84 3 3 0 -1.43471589104562 2997764 COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.89 2 6 0 -28.5755156674595 2997763 C1CCC(C1)NC(=O)NC(=O)COC(=O)C2COC3=CC=CC=C3O2 1 1.7 2 6 0 -9.62652288528472 2997762 CC(C)(C)C1CCC2=C(C1)SC(=N2)NC(=O)CC3=CN4C=CSC4=N3 1 3.103 4 1 -14.7290857442424 2997760 CC(C)C1=NC=C(N1C)C(C2=C(C(=CC=C2)OC)OC)O 1 2.472 2 3 -6.06099499303106 2997759 C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3F)C(=O)NCC4=CC=CO4 1 2.771 2 4 -17.3789665850666 2997757 CC(COC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)N 1 0.998 4 5 0 -21.3128083023735 2997755 C1CCCC(CC1)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 2.631 2 2 -13.4184646932937 2997754 CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCC2=C(ON=C2C)C 1 3.666 1 4 -12.4230639286363 2997753 CCOC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC 1 2.726 2 2 -17.0287169576548 2997751 CC1(C(=O)N(C(=O)N1)CC(=O)NC2CCCCC2)C3=CC=C(C=C3)OC(F)F 1 2.799 3 4 0 -7.00689943533754 2997750 CCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCOC(C)C 1 2.302 3 3 -23.7243057063223 2997748 CC12CCC(=O)N1C(CS2)C(=O)NC3=CC=CC4=CC=CC=C43 1 1.827 2 2 0 -6.26582050040418 2997747 C1CC2CC(CC(C1)C2=O)C(=O)NC3=CC=CC=C3 1 2.663 1 2 -0.189191616137262 2997746 CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)N 1 2.099 3 2 -3.54210877890402 2997745 CC1(C2C(C3=CC=CC=C3OC2=O)C4=C(S1)NC(=O)S4)C(=O)O 1 2.217 1 5 -4.61807113933314 2997744 C1CCN2C(=CC1)SC(NC2=O)(C3=CC=CC=C3)C(F)(F)F 1 4.373 2 1 -5.23044560336497 2997742 CC1=NN(C2=C1C=C(C3=NC4=CC=CC=C4N23)C#N)C5=CC=C(C=C5)F 1 4.328 5 0 -1.90287288232968 2997740 C1C(=O)N(C(S1)C2=CC=CC=N2)CC3=CN4C=CC=CC4=N3 1 1.485 4 1 0 -13.584035386378 2997739 CC(CN1CCN(CC1)C)OC(=O)C2=CC=CC=C2Cl 1 2.823 2 2 -2.2705159357665 2997738 COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)CC2=CN=C3N2C=CS3 1 1.827 2 6 0 -18.4685665277331 2997737 CCCCN(C(=O)NC(=O)NC1=C(C=CC(=C1)C)C)S(=O)(=O)C 1 2.808 3 4 0 -0.249067100210231 2997735 COC1=C(C=C(C=C1)CC(=O)OCC2=NN=C(O2)C3COC4=CC=CC=C4O3)OC 1 2.536 2 7 0 -12.2299942451865 2997734 CCOC(=O)C1=CSC2=NS(=O)(=O)CCN12 1 9.e-002 2 4 0 -10.8512703425433 2997733 CCC1CCCCN1CC(=O)NC2=CC(=NN2C3=NC(=CC(=N3)C)C)C 1 2.715 6 1 0 -11.1743872976906 2997732 CCC(=O)N/C=C/N1C=NC2=C1C=CC(=C2)C(F)(F)F 1 1.755 3 1 0 1.38763979922509 2997731 CCOC(=O)C1=C(N(C(=O)C(=C1)C(=O)C)C)N 1 -0.483 2 4 0 -7.31425333047914 2997729 CC(C(=O)NC(=O)N)OC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F 1 2.816 2 3 -6.18900807310526 2997728 CN(C)C=NC1=C(C=C(S1)C(=O)OC)C(C(=O)OC)(C(F)(F)F)O 1 1.479 2 5 0 -5.88867330570111 2997726 CCN(CC(=O)NC1CCS(=O)(=O)C1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 2.005 4 3 0 -9.74369858029961 2997725 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC3=C(ON=C3C)C)C 1 2.028 3 3 -8.18845431205462 2997724 C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NCCOC3=CC=CC=C3 1 2.485 2 3 -16.9276687754576 2997722 C1CSC(=N1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4 1 3.161 3 2 -15.6913821668806 2997721 CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=CC=CO3 1 3.839 2 4 -11.0529584773608 2997719 CC1CCCCC1NC(=O)CSC2=NN=C(O2)COC3=CC=CC=C3Cl 1 3.949 3 3 -24.4472537188272 2997718 C1CCCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCC4 1 3.236 3 4 0 -20.2493305244096 2997717 C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CC=CC=N3)SCC(=O)NCC(F)(F)F 1 2.209 6 2 0 -30.5263564340873 2997716 CC12C3C4CC5C3C1C(=NO)C5C4C2=NO 1 0.445 2 2 0 0.820115916279992 2997714 CC1=C(C(NC(=O)N1)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)OCCOC 1 3.06 4 4 0 -25.2773029992553 2997712 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NCCCC4=CC=CC=C4 1 2.456 2 4 -15.9484227379802 2997711 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3CCCCO3 1 3.483 3 3 -19.1177073281715 2997710 CC1=CC(=NO1)NC(=O)COC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4 1 3.365 4 3 0 -15.1617426630619 2997709 CCC(CO)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C 1 2.545 2 4 -18.2803841143658 2997708 CC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)C1=CC(=CC=C1)F 1 0.721 3 5 0 -18.7791362240902 2997707 CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3OC(F)F)CCOC 1 3.166 4 4 0 -10.1689250193173 2997706 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=CC=CO3 1 1.502 1 6 0 -11.5124878686265 2997705 C1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)N3C=CN=C3)C#N 1 1.998 4 2 0 -6.6995335620186 2997702 CC1(C[N+]2=C(N1C3=CC=C(C=C3)OC)CCC4=CC=CC=C42)O.[Br-] Br- 1 2.822 2 2 -9.39465491166714 2997700 C1CCN(C(=O)C(C1)SC2=NN=C3N2C=CC=C3)C(=O)C4=CC=CC=C4 1 3.455 4 2 -11.1253178011086 2997698 CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CCC(=O)N)C(=O)O 1 0.753 2 5 0 -17.1892556385486 2997649 CC1=C(C=CC(=C1)Cl)OCC(=O)OC(C)C(=O)NC(=O)N 1 1.789 2 5 0 -5.19476326559464 2997650 C1=CC(=CC=C1C(=O)NCC(=O)NCCCN2C=CN=C2)Cl 1 0.566 4 2 0 -10.2281006539636 2997651 CC1=CC(=NO1)NC(=O)CN2C(=O)C3=C(N=CN3CC(C)C)N(C2=O)CC4=CC=CC=C4 1 2.45 6 4 0 -22.6285624654007 2997652 CCOC(=O)C1=CC(=NC2=C1C(=NN2C)C)C3=CC=NC=C3 1 2.011 4 2 -4.75666644417202 2997653 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC(=O)NC3CCCC3)C 1 1.804 4 4 0 -9.53444973904644 2997654 C1=CC=C(C=C1)CNC(=O)CC2=CN3C=CSC3=N2 1 1.556 3 1 0 -12.5232475788262 2997657 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)COC2=CC=CC=C2OC 1 1.446 1 7 0 -17.2449705349678 2997658 C1CN(CCN1C(=O)COC(=O)C2=CC=NC=C2)C(=O)COC(=O)C3=CC=NC=C3 1 -0.762 4 6 0 -9.68488256751157 2997659 CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CC(OC(C3)C)C 1 1.252 4 4 0 -11.1388078116876 2997660 C1COC(=O)C1OC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3 1 3.662 1 4 -2.67755290541474 2997693 CC(C)N(C(=O)NC(=O)NCC1CCCO1)S(=O)(=O)C 1 1.5e-002 3 5 0 -8.87175959917103 2997692 CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.882 4 6 0 -19.7847605093381 2997691 CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)C4=CC5=C(C=C4)OCCO5 1 2.133 1 6 0 -13.1002749733473 2997690 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 2.083 2 4 -12.7602915377011 2997689 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=CC=C2 1 1.46 2 6 0 -16.651025632999 2997687 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CN3C=NC4=CC=CC=C43 1 1.304 3 5 0 -13.0865687941146 2997685 C1C(OC2=CC=CC=C2O1)COC(=O)C3=CC=CC=C3F 1 3.354 0 4 -5.29927720976923 2997684 C1COCCN1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)N5CC(CC5C(=O)N)O 1 1.34 5 3 0 -4.21751790241784 2997683 CN1C=CN=C1SCC(=O)NC2=C(C=CS2)C#N 1 1.308 4 1 0 -13.6318833458093 2997682 CC1=CC(=C(C=C1)NC(=O)NC(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O)C 1 2.647 4 4 0 -7.65913515830567 2997681 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4 1 1.368 2 6 0 -17.7644737858026 2997679 C1=CC=C2C(=C1)C(=NC=N2)SCC3=CN4C=CC=NC4=N3 1 2.623 5 0 3.58523670625287e-002 2997678 C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CC3=CN4C=CSC4=N3 1 3.109 3 2 -8.97787510446562 2997676 CN(CC1=CC=CS1)CC(COCC2=CC=CO2)O 1 1.767 1 3 0 -2.54948338267375 2997674 CC1=CC(=CC=C1)N2C(=NN=N2)SCC(=O)C3=C(N(C(=C3)C)CC4CCCO4)C 1 3.491 5 2 0 -24.6363746563792 2997671 C1CC2=CC=CC=C2N3C1C(=O)C(=C3N)C4=CC=CC=C4 1 3.334 2 1 -2.25982841434762 2997670 CCCC1=CC(=O)N=C(N1)SCC(=O)N(C)C2CCS(=O)(=O)C2 1 0.721 3 4 0 -26.6816186284887 2997669 COC1=C(C=C2C(NCCC2=C1)C3=CC=CS3)OC 1 2.868 1 2 -13.8519405816641 2997668 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 2.895 2 4 -11.9703255325203 2997667 COC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)N3CCNC(=O)C3CC(=O)OC 1 0.518 5 5 0 -35.3629234943443 2997664 CC1=C(C(=NO1)C)CSC2=NN=C(N2CC=C)C3COC4=CC=CC=C4O3 1 3.263 4 3 0 -15.8179876804258 2997663 CN1C2=CC=CC=C2N=C1C3=C(N(CC3=O)C4=CC5=C(C=C4)OCCO5)N 1 2.581 4 3 0 -5.35469049587807 2997661 CN1C=CN=C1P(=S)(C2=NC=CN2C)N3CCOCC3 1 0.404 5 1 0 -2.46942306416356 2997648 C1C=CCC(C1C(=O)NC2=CC=CC=C2Cl)C(=O)O 1 2.481 1 3 -3.37139227218298 2997647 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2COC3=CC=CC=C3O2 1 2.5e-002 1 7 0 -15.3161724197174 2997645 CC1=CC(=C(C=C1)C)C2=NN=C(C3=CC=CC=C32)OCC(=O)NC4=NOC(=C4)C 1 4.337 4 3 0 -14.4567150154576 2997644 CCC1CCCCN1C(=O)CN2C3=CC=CC=C3OC2=O 1 2.63 2 3 -9.45331383542386 2997643 CS(=O)(=O)N(C1CCCCC1)C(=O)NC(=O)OCC2COC3=CC=CC=C3O2 1 2.899 2 7 0 -4.05199848062577 2997639 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)N3C=CN=C3)C 1 2.51 4 1 3.68143657979264 2997638 CC1=CC=CC2=NC(=CN12)CSCC3=CC=CO3 1 2.382 2 1 -1.07337164573999 2997637 C1CCC(=NCC1)NCCC2=CCCCC2 1 3.129 2 0 -7.32892082569124 2997636 COC1=CC=C(C=C1)C(CNC(=O)C2=C(N=CC=C2)SC)N3CCOCC3 1 2.39 3 3 -20.717880687489 2997635 CCN(C1CCS(=O)(=O)C1)C(=O)COC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F 1 2.481 3 4 0 -13.3518068062962 2997632 C1CC(=O)N(C1)CCCNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 4.9e-002 3 5 0 -41.9835096727449 2997630 C1CCC2(C1)OCC(O2)CN3CCOC3C4=CC=NC=C4 1 1.259 2 3 0 4.40623403468035 2997629 C1=CC2=NC(=C(N2C=C1)Br)CSC3=NN=C(N3N)C4=CN=CC=C4 1 2.081 7 0 0 -6.97019432721832 2997628 CN=C1N(C(=O)C(S1)CC(=O)NC2=C(C(=CC=C2)Cl)Cl)C 1 2.86 3 2 -9.37079781709296 2997624 CC(C)(C)C(=O)C=C1NC(=O)C(=CC2=CC=C(C=C2)C#N)S1 1 3.335 2 2 -6.35378069551371 2997620 CN1C=CN=C1C(=O)C2=CC(=CC(=C2OC)OC)S(=O)(=O)N3CCOCC3 1 0.505 3 6 0 -20.9452631941667 2997619 C1CSC(N1C(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=CO4 1 2.89 1 4 -20.5192882286253 2997617 CC(C#N)SC1=NC=NC2=C1C3=C(S2)CCC3 1 3.334 3 0 -9.72064752313138 2997616 CC1=C(SC=C1)C(=O)OC2CCOC2=O 1 1.848 0 4 0 -8.01956848869041 2997615 C1CS(=O)(=O)CC1CNC(=O)NCC2CCS(=O)(=O)C2 1 -1.236 2 5 0 -13.0783859704994 2997614 CCN1C2=C(C=C(C=C2)C3C(=C(NC(=C3C#N)C)C)C#N)C4=CC=CC=C41 1 3.966 4 0 -5.81866375001413 2997609 CC(C)C(C(=O)N1CCOCC1)N2C(=O)C3=CC=CC=C3C2=O 1 1.143 2 4 0 -11.5756180212077 2997608 CCCN1C2=CC=CC=C2N=C1NC(=O)C3COC4=CC=CC=C4O3 1 3.523 3 3 -5.58582544545911 2997605 CCC1=NN=C(S1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.892 4 5 0 -27.2838601962831 2997604 CC1(C(=O)N(C(=O)N1)CC(=O)NC(=O)NCC2=CC=CO2)C3=CC=CC=C3Cl 1 1.345 4 5 0 -9.68055072586063 2997603 CC1CCCN(C1)C(=O)CN2C3=CC=CC=C3OC2=O 1 2.048 2 3 -7.65370938556394 2997600 CC1=CC(=NO1)NC(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3 1 1.275 3 5 0 -24.1584861916832 2997599 CCC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2=CC3=CC=CC=C3N2 1 3.415 4 3 0 -14.1679692455021 2997597 CC(C)CNC(=O)NC(=O)CSC1=NN=C(N1CC=C)C2CCCCC2 1 3.518 5 2 0 -19.4614070629425 2997596 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC)C)C 1 1.441 2 7 0 -18.9734262380389 2997595 CC1=C(C(=NC2=C1CCCC2)SCC(=O)N)C#N 1 2.499 3 1 -12.7083999990152 2997591 C1CN(C2=CC=CC=C21)CC3=CC(=O)N4C=CSC4=N3 1 1.931 3 1 0 -17.8927271192368 2997590 CCOC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3 1 2.119 1 7 0 -21.1337315802697 2997589 CC1=CC(=NN1C2=NN=CN2NC(=O)C3=C(C=C(C=C3)Cl)O)C 1 1.851 6 2 0 -3.55880205367003 2997588 CC(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2 1 0.432 1 5 0 -11.8220769374812 2997587 CCC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)Cl 1 2.967 1 3 -16.342957037432 2997586 CN1C=CN=C1C2=NC3=CC=CC=C3NC2=O 1 1.007 4 1 0 -9.13404381907696 2997585 C1=COC(=C1)CNC(=O)NC(=O)COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)N 1 1 4 6 0 -13.2415180287913 2997584 CC(C(=O)OCC(=O)C1=CC=C(S1)Cl)NC(=O)C 1 1.233 1 4 0 -9.53636972716185 2997583 CC1(C(=O)N(C(=O)N1)CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4 1 1.757 3 4 0 -4.80375337109123 2997582 CN1C(=CN=C1C(=O)C2=CC=C(C=C2)Cl)N=CN(C)C 1 2.03 4 1 0.947312290442181 2997581 CC1CCCCN1CC(=O)NC2=C(C3=C(S2)CCC3)C#N 1 2.843 3 1 -21.001395512905 2997576 CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)NC(=O)NCC3=CC=CO3)Cl)Cl 1 3.216 3 4 0 -7.6596458304206 2997575 CC1=NN(C(=C1)NC(=O)C2CCC2)C3=CC=CC=N3 1 2.186 4 1 -5.72752983683576 2997574 CC(C)(C)C(=O)C(CO)(N1C=NC=N1)OC2=CC=C(C=C2)Cl 1 3.073 3 3 -1.7463927029912 2997573 CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NC4=NOC(=C4)C 1 3.603 4 2 -27.8241455006144 2997571 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl 1 2.145 6 3 0 -15.2884782130949 2997570 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3COC4=CC=CC=C4O3 1 2.903 1 5 -7.4733167509395 2997569 CC(C(=O)N)SC1=NN=NN1C2=CC=C(C=C2)OC 1 1.122 5 2 0 -13.1966674521105 2997568 CN1C2=CC=CC=C2C(C1=O)(C3=C(N=C(S3)N)C4=CC=CC=C4)O 1 2.408 3 2 7.60089936290132 2997567 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)C3=C(N(C(=C3)C)C(C)COC)C)C 1 1.856 5 4 0 -17.9149760559009 2997566 CN(C)C1=CC=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)OC)N3CCCC3 1 3.395 3 2 -17.255881415884 2997565 CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 3.123 3 3 -13.408291191574 2997563 CCOC1=C(C=CC=N1)C(=O)OC2=CC3=C(C=C2)OCO3 1 2.751 1 5 -10.7258681326695 2997562 C1CCC(=O)/C(=C/NC2=NC=C(C=C2)Cl)/C1 1 2.147 2 1 -1.0042075643753 2997560 C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NC4=C(N3CCO)C=C(C=C4)Cl 1 3.076 2 5 0 -3.38097222486428 2997559 C1=CC(=CC(=C1)Cl)NC(=O)NCC2=CN3C=CSC3=N2 1 1.88 4 1 0 -5.1667855663387 2997558 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O)C 1 1.805 2 5 0 -12.6198276366339 2997552 C1COC(=O)C1OC(=O)CN2N=C(N=N2)C3=CC=CC=C3 1 0.935 4 4 0 -4.25974767859108 2997551 CN1C(=NN=C1SCC2=NN=C(O2)C3=CC=C(C=C3)F)C4COC5=CC=CC=C5O4 1 3.462 5 3 0 -3.8064547500458 2997550 C1=CC=C(C=C1)CC2C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3 1 1.722 3 3 0 -8.25671111331461 2997548 CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCC3=CC=CC=C32 1 2.667 2 3 -14.4367062832925 2997544 CCOC(=O)CCCN1C(=C(C(=O)N=C1C)C2=CC=CC=C2)C 1 2.076 2 3 -11.9850152739744 2997543 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)CCNC(=O)C4=CC=CO4 1 2.3 2 5 0 -18.0356251230367 2997538 C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3CCS(=O)(=O)C3)SC=C2C4CC4 1 2.029 3 4 0 -34.1395762955306 2997537 C1CCN(C(=O)C(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 3.122 1 4 -10.5968593380486 2997536 C1=CC=C(C=C1)SC(CC(=O)C2=CC=CO2)C3=CC=CS3 1 4.729 0 2 -1.96548519050342 2997535 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)NCC3=CC=CC=C3 1 2.3 4 4 0 -18.5652231141556 2997533 CC1CC2=CC=CC=C2N1CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC 1 2.815 3 3 -10.9109004502289 2997531 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NCCOC 1 2.251 5 2 0 -19.2980244828856 2997530 COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CSCC(=O)N2CCOCC2 1 -5.3e-002 2 7 0 -24.6059285648166 2997529 CC1=C(C(=NO1)C)CSC2=NC3=CC=CC=C3N2C 1 3.1 3 1 -10.3160585310585 2997528 COC1=CC=CC=C1N2C=NN=C2SC3CCOC3=O 1 1.767 3 3 0 -7.70122913418731 2997526 CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 3.765 2 2 -13.7650403050064 2997525 CN1C(=O)C=CC(=N1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2 1 1.437 5 2 0 -10.3012397670174 2997524 CCC1=NN=C(S1)NCC(=O)N2CCC3=CC=CC=C32 1 1.484 4 1 0 -16.2710072753654 2997523 C1=CC=C(C=C1)C2=NC(=CS2)CNC(=O)C3=CC=CO3 1 2.612 2 2 -5.58969607590106 2997522 C1CC(OC1)COC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.215 2 3 -6.49547764176235 2997521 CC1=C(SC=C1)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3 1 4.304 1 2 -3.7576650172108 2997520 CC1CCC2C(C1)C3=C(NC(=O)S3)SC2(C)C 1 3.659 1 1 -7.7291436845989 2997517 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC(=NN2C3=NC(=CC(=N3)C)C)C 1 2.37 6 3 0 -22.061750359829 2997516 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)C(C#N)C3=NC4=CC=CC=C4N3C)C 1 3.906 5 1 -5.55660351943046 2997515 CN1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)F 1 3.483 3 1 -12.1305352702549 2997514 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CC3=CN4C=CSC4=N3 1 2.064 4 4 0 -13.1948610804571 2997513 CC(=O)C1=CC=C(C=C1)OCCCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.725 2 5 0 -12.5700343029468 2997510 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=CC4=C(C=C3)OCO4)C 1 1.966 3 5 0 -9.13453048713214 2997509 C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SC3=NN=C4N3C=CC=C4 1 1.458 5 3 0 -22.0979652270384 2997508 CC1=CC=CC=C1C2=NN(N=N2)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.402 5 3 0 -8.82063487565017 2997507 CSCCC(C(=O)NCC1=CC=CC=C1Cl)NC(=O)N 1 1.283 3 2 0 -18.9159036474871 2997504 CCN1C2=C(C=N1)C(=CC(=N2)C)OCC3=CC=C(C=C3)C#N 1 2.805 4 1 -4.50311877882797 2997503 CN(C)C1=C(C(=NP(=N1)(N(C)C)N(C)C)C2=CC=CC=C2)C#N 1 1.299 6 0 0 -2.73259356093634 2997492 CC1=NN=C2N1C3=CC=CC=C3N=C2N4CCN(CC4)CCO 1 0.695 6 1 0 1.57425325973763 2997481 CCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C 1 2.765 1 4 -13.795631451199 2997458 C1C(C2=CC3=C(C=C2NC1=O)OCO3)C4=CN=CC=C4 1 1.177 2 3 0 -5.99420359483191 2997426 C1CN(CCN1CCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.322 3 2 -8.63989503960329 2997422 CC(C(C1=CC=CC=C1)O)NCC2=CC=C(C=C2)Cl.Cl Cl- 1 3.482 1 1 2.03343355756022 2997421 COC1=CC(=C(C=C1)CN2CCNC(=O)C2CC(=O)O)OC 1 -2.421 2 5 0 -27.0263516557149 2997405 C1CN(C(C(=O)N1)CC(=O)O)CCCC2=CC=CC=C2 1 -1.611 2 3 0 -24.4698029389628 2997387 CC1CN=C(S1)NC(C)C2=CC=CC=C2 1 2.992 2 0 -7.39049457543374 2997381 COC1=C(C=CC(=C1)CNCC2CCCO2)OCC(=O)N.Cl Cl- 1 0.547 2 4 0 -12.048074477218 2997379 CN1C=CC=C1CNCC(C2=CC=CC=C2)O.Cl Cl- 1 1.818 2 1 0 -2.65428189853192 2997374 CCOC1=C(C=CC(=C1)CNCC2=CC=C(C=C2)C(=O)O)OC.Cl Cl- 1 0.192 1 4 0 -6.87167550382231 2997367 CC1=CC=CC(=C1)C2=NOC(=N2)CNC(=O)COC3=CC=CC=C3C 1 3.012 3 3 -0.629674078011754 2997361 CC1CC2=C(C(=C(N2)C(=O)OC3CCCCC3)C)C(=O)C1C(=O)OC 1 3.889 1 5 -11.009132459777 2997341 C1CN(C(C(=O)N1)CC(=O)O)CC2=CC(=C(C=C2)F)F 1 -1.977 2 3 0 -24.5880520619136 2997336 CC1(CC2=C(C(CC(=O)N2)C3=CC=CC=C3F)C(=O)C1)C 1 2.213 1 2 -17.1692761299639 2997331 CCOC(=O)CC1C(=O)NCCN1CC2=CC(=CC=C2)C(F)(F)F 1 2.163 2 3 -23.7492766913686 2997327 CCN1C(=O)CC(C1=O)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)F 1 0.492 3 3 0 -6.06405930450776 2997319 COC1=C(C=C(C=C1)CN2CCNC(=O)C2CC(=O)O)OC 1 -2.421 2 5 0 -30.1346488087505 2997304 CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C 1 0.384 5 3 0 -18.7394547627264 2997285 CC1=CC=C(O1)CN2CCNC(=O)C2CC(=O)O 1 -3.061 2 4 0 -27.2922472719165 2997284 COC1=CC=CC(=C1OC)C2CC(=O)NC3=CC(=CC(=C23)OC)OC 1 2.494 1 5 -9.85915756353985 2997276 CC1CN=C(S1)NCC2=CC=C(C=C2)F 1 2.82 2 0 -5.58077847929287 2997261 CC(C)(C)NC(=O)COC1=CC=C(C=C1)CNCC2=CN=CC=C2.Cl Cl- 1 1.775 3 2 0 -11.3973769833436 2997253 CC1(CN=C(S1)NCC2=CC=CC=C2)C 1 2.82 2 0 -5.2457653628201 2997240 COC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)O 1 -2.404 2 4 0 -28.381920139405 2997234 CCOC(=O)CC1C(=O)NCCN1CC2=CC(=C(C=C2)OC)OC 1 1.188 2 5 0 -31.6198005219538 2997221 CC1=C(SC=C1)C2CC(=O)NC3=C2C(=O)CC(C3)(C)C 1 2.237 1 2 -16.6127309604689 2997211 C1CN(CCC1(C#N)C2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)F 1 3.021 3 2 2.53864714746991 2997204 CN1C(=NN=N1)SCCNCC2=C(C=CC(=C2)Br)OC.Cl Cl- 1 2.142 5 1 -10.9291069798215 2997177 CC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)NC3=CC(=CC=C3)Cl 1 2.293 3 3 -23.620730119815 2997176 CC1CC2=C(C(=C(N2)C(=O)OCC3CCCO3)C)C(=O)C1C(=O)OC 1 2.39 1 6 0 -14.5393350387754 2997137 CCN(CC)CCN1C2=C(C=C(C=C2)Cl)C3=C1SC(=N3)C.Cl Cl- 1 4.052 3 0 5.81403656482817 2997167 C1=CC=C(C=C1)CCCN2C(=CC(=O)NC2=O)N 1 1.335 3 2 0 -5.64561478689921 2997147 CC1CC2=C(C(CC(=O)N2)C3=CC=C(C=C3)F)C(=O)C1C(=O)OC 1 1.839 1 4 0 -13.9051670301893 2997144 CN1C(=NN=N1)SCCNCC2=CC=CC=C2F.Cl Cl- 1 1.615 5 0 0 -11.4730725656166 2995470 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CC3 1 2.476 2 3 -6.73327898497955 2995467 C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC3=NC=CS3)[N+](=O)[O-] 1 2.711 3 4 0 -3.66870220315142 2995451 CC1=CC=CC(=C1OC)C(=O)NC2=C(C=C(C=C2)OCC(=O)N3CCOCC3)C 1 2.507 2 5 0 -16.6425861567185 2995393 CC1=NC2=C(C=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)N=C1C 1 2.79 4 3 0 -8.18693609257068 2995367 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC(=O)C4=CC=CC=C4N3 1 2.517 4 3 0 -14.7370044364994 2995302 CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3)Cl 1 3.233 3 2 0.350834927699492 2995288 CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)Cl 1 2.72 3 3 -5.62074260990235 2995286 CC1=CC(=NO1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3 1 1.993 3 4 0 -26.376307973568 2995273 CC1CN(CC(O1)C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl 1 1.929 2 4 0 -24.2928085312722 2995165 CC1CCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl 1 1.924 2 3 0 -8.99011549118292 2995099 C=CCOC1=CC=CC(=C1)C(=O)NC2=NC=NN2 1 1.516 4 2 0 -14.1293128994685 2995070 CCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3 1 2.256 4 3 0 -25.6276243281395 2995061 CC1=CSC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC=CC=C3F 1 3.145 3 2 -16.0882942705928 2995026 CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CO3)Cl 1 2.72 3 3 -2.88424620312784 2995008 C1=CC2=C(C(=C1)OCCCOC3=CC=C(C=C3)CO)N=CC=C2 1 3.09 1 3 -4.31390059191144 2994958 C1CCN(C1)C(=O)COC2=CC3=C(C=C2)C=C(C=C3)Br 1 3.197 1 2 -2.82657301139051 2994939 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 2.032 3 4 0 -11.0947334839052 2994890 COC(=O)C1=CN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)OCC=C 1 4.233 1 4 -7.5196981197381 2994867 C1CCC(C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl 1 2.682 2 3 -19.0994760854554 2994786 CC1=C(C=CC(=C1)OCC(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-] 1 3.214 2 4 -14.0061654849957 2994775 CC1=NC2=C(C=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Br)N=C1C 1 3.539 4 3 0 -7.3470807307701 2994763 CC1=CC(=CC(=C1OCC(=O)N2CCOCC2)C)NC(=O)C3=CC=CC=C3F 1 2.729 2 4 -15.4309975644635 2994738 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC3CCCO3 1 0.687 2 5 0 -27.4941751518577 2994681 CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)CNC(=O)C3=CC=CO3 1 2.324 4 3 0 -14.0935586862442 2994655 C1=CC=C2C(=C1)C=CC(=C2Cl)OCCCN3C=CN=C3.Cl Cl- 1 3.19 2 1 8.60493949486743 2994636 CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CC=N3 1 1.91 3 3 0 -16.9553231167908 2994590 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3CCCCCC3 1 2.643 2 4 -22.5673284633374 2994575 CCOC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O 1 2.107 2 4 -17.6191847731917 2994574 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=NC=C3 1 0.719 3 3 0 -5.39521745442699 2994565 CC1=NN=C(S1)SC(C)C(=O)NC2=NC=CS2 1 1.224 4 1 0 -12.8793465763722 2994561 CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3 1 3.154 3 2 -23.204700190826 2994537 CCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3 1 2.614 3 2 -10.02482590796 2994481 COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2N3CCCCC3 1 3.513 2 3 -5.86955032584395 2994477 CC1=CC2=C(C=C1)N=C(S2)NCC3=C(C(=C(C=C3)OC)OC)OC 1 3.812 2 3 2.72552847534392 2994446 CC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)Br 1 1.922 3 2 0 -6.07855617848458 2994444 CC(C(=O)NC1=NC=CS1)SC2=NN=C(S2)N 1 0.758 5 1 0 -9.27408136004001 2994442 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 2.495 3 3 -4.81257200687319 2994418 C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NCC3=CC=CS3)Cl)Cl 1 2.495 2 4 -20.6144352318606 2994412 C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC(=CC=C3)Cl 1 2.037 2 4 -13.2785717156219 2994407 CC(=O)NC1=CC(=CC=C1)NC(=O)CC2=CC3=CC=CC=C3C=C2 1 2.678 2 2 -5.73976628614148 2994402 C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3 1 3.038 2 2 -8.42664220909322 2994400 C1CC(OC1)CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl 1 0.908 2 4 0 -13.1949522732519 2994399 CCOC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3CC3 1 2.29 4 2 -13.9932446381703 2994363 CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC=C(C=C3)Br 1 1.783 3 3 0 -12.7417225581172 2994360 C1=CC=C(C(=C1)CC2C3=C(C=CC(=C3)Br)NC2=O)F 1 3.724 1 1 -3.16401451139162 2994355 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-] 1 2.595 2 4 -5.76731796890924 2994342 CCC(=O)NC1=CC=C(C=C1)CCC(=O)N2CCCC2 1 1.983 2 2 0 -10.5623449932316 2994341 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F 1 3.063 2 2 -5.08532914008527 2994327 COC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)Cl 1 4.141 3 4 0 -4.97134976090104 2994294 CC1=NN=C(S1)SCC(=O)NC2CC2 1 0.655 3 1 0 -20.2547739003451 2994292 CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CC=N3 1 0.718 3 3 0 -15.6043079137797 2994262 CC1=CC=C(C=C1)SCCNCC2=CC=CO2.Cl Cl- 1 3.226 1 1 1.80389868641618e-002 2994220 CC1=CC(=CC=C1)NC(=O)COC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3 1 4.105 2 3 -11.6347561654091 2994199 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NOC=C3)F 1 1.847 3 4 0 -18.3547616511972 2994196 C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CN=CC=C3)[N+](=O)[O-] 1 1.208 4 4 0 -8.99106747152269 2994188 C1=CC=C(C(=C1)C=O)OCCCOC2=CC=CC3=C2N=CC=C3 1 3.453 1 3 -4.13021837341451 2994177 C1=CC=C(C=C1)CC2=CC=C(C=C2)OCCN3C=CN=C3.Cl Cl- 1 3.529 2 1 1.35741475606304 2994176 CN1C(=NN=C1SCC(=O)N2CCOCC2)CC(=O)NC3=CC=CC=C3F 1 0.868 5 3 0 -21.879630950821 2994166 COC(=O)C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2CCCC2=O 1 2.17 1 5 -13.5435527080127 2994144 COC1=C(C(=C(C=C1)C(=O)NC2=NC3=CC=CC=C3C=C2)OC)OC 1 3.29 2 4 -1.54998802070489 2994140 C1COCCN1CCOC2=CC=C(C=C2)C3=CC=CC=C3.Cl Cl- 1 3.158 1 2 3.90904251861064 2994137 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(C=CS4)C(=O)N3 1 2.712 4 2 -12.7032480457395 2994135 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C)CN3CCOCC3 1 1.909 5 2 0 -19.5272398401692 2994122 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCOCC3 1 3.116 2 3 -7.71389704171822 2994115 CC1=CC=C(C=C1)SCCCN2C=NC3=CC=CC=C3C2=O 1 3.695 2 1 -1.1317911551831 2994110 C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 2.283 3 2 -10.9681466210269 2994086 CCCCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.968 3 3 -8.60958630552586 2994037 CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N)C 1 2.169 2 5 0 -16.0163608073743 2994029 CC1=CSC2=C1C(=O)NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.198 4 2 -12.1652935083401 2993973 CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C)CN3CCOCC3 1 1.909 5 2 0 -15.0749015108478 2993972 C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3Cl 1 3.737 2 2 -4.09063745860123 2993964 CC(=O)C1=CC(=C(C=C1)OCCCOC2=CC=CC3=C2N=CC=C3)OC 1 3.418 1 4 -11.5545087924261 2993912 CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3 1 4.235 3 1 -9.76775738853009 2993904 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)C)CN3CCOCC3 1 1.163 5 3 0 -20.6772295949736 2993828 C1COCCN1C(=O)COC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl 1 2.216 2 4 -10.3534754831278 2993823 CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)Cl 1 2.053 3 3 -2.77842333117121 2993777 C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)C4=CC5=CC=CC=C5OC4=O 1 4.98 3 5 0 -1.44273638781861 2993772 CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Cl)OC 1 4.883 3 2 -7.2305284757541 2993739 C1COCCN1CCCCSC2=CC=CC=C2.Cl Cl- 1 2.84 1 1 -1.84128986277101 2993677 C1COCCN1CCOCCSC2=CC=CC=C2.Cl Cl- 1 2.067 1 2 -1.98810516893085 2993647 CC(=O)OC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 2.257 2 4 -11.0942519101967 2993646 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCOCC3 1 1.705 2 5 0 -17.0667924289579 2993632 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCN3C=CN=C3 1 0.666 3 2 0 0.440588789250781 2993589 C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC(=CC=C3)Br 1 2.121 2 4 -14.568724433842 2993582 CC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C(C)C3=CC=CC=C3 1 1.005 4 2 0 -12.3336873657349 2993546 CN1CCN(CC1)CCOC2=CC=C(C=C2)CC3=CC=CC=C3.Cl Cl- 1 3.884 2 1 4.02876346424012 2993527 CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CS3 1 1.947 3 2 0 -7.49028087460532 2993497 CC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 0.627 4 2 0 -15.6129842951314 2993486 C1CN(CCN1C2=CC=CC=C2)C(=O)CCC3=CC=CC=C3F 1 3.569 2 1 -4.31855267771085 2993447 CC1=CC=C(C=C1)SCCN2CCN(CC2)C.Cl Cl- 1 2.954 2 0 3.53019191718772 2993420 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=NC(=CS2)C 1 1.641 4 2 0 -16.8194161105355 2993418 CC1=CC(=CC(=C1OCC(=O)NC2=C(N(N=C2C)C)C)C)SC 1 3.042 3 2 -5.75999109760138 2993399 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC=CO3 1 2.045 2 4 -22.4680477316675 2993392 CC1=NC2=C(C=CC=C2OCCCOC3=CC=CC=C3CO)C=C1 1 3.372 1 3 -2.55519694244493 2993382 CC1CN(CC(O1)C)CCCCSC2=CC=CC=C2.Cl Cl- 1 3.595 1 1 -4.98271388795317 2993375 COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4 1 1.252 3 6 0 -18.1181632206193 2993330 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C(=CS3)C)C(=O)N2 1 3.409 3 3 -17.4179763981 2993321 CC(C)COC1=CC=C(C=C1)C(=O)NC2=NC=NN2 1 2.091 4 2 -10.8427459899977 2993319 C1CC(OC1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl 1 3.398 2 3 0.149915133092548 2993301 C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=C(C=C3)F 1 1.578 2 4 0 -15.1757260426404 2993237 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N 1 0.26 3 4 0 -16.5641984688693 2993220 COC1=C(C(=CC(=C1)CNC2CCCCCCC2)Cl)OCC(=O)N.Cl Cl- 1 3.623 2 3 -5.62603482455799 2993164 CCOC1=C(C=C(C=C1)CNC2CCCCCCC2)OC.Cl Cl- 1 4.454 1 2 -3.41888816229119 2993148 CCC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2 1 3.287 3 1 -11.9938764437725 2993124 C=CCOC1=CC=C(C=C1)C(=O)NC2=NC=NN2 1 1.516 4 2 0 -13.2486014312431 2993116 CC(=O)OC1=CC=CC=C1C(=O)N(C2CCCCC2)C3CCCCC3 1 4.728 1 3 -5.03792401903132 2993109 CC(C)CC(=O)NC1=CC=C(C=C1)CC2=CC=NC=C2 1 3.149 2 1 -8.4890381348984 2993101 CC1=C(C(=CC=C1)OCC(=O)NC2=CC=C(C=C2)CN3CCOCC3)C 1 3.183 2 3 -3.11071035480264 2993050 CCS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCCSC2=CC=CC=C2 1 2.488 2 3 -10.3813036973982 2993046 C1COCCN1C2=CC=C(C=C2)NC(=O)CN3C(=O)COC4=CC=CC=C43 1 1.312 3 4 0 -7.97028544715637 2992995 CC(C1=CC=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CN=CC=C4 1 2.464 3 3 -18.0518070439243 2992992 CC1CN(CC(O1)C)CCOCCSC2=CC=C(C=C2)C.Cl Cl- 1 3.308 1 2 -4.2063639687969 2992950 CC(=O)C1=CC=C(C=C1)OCCCOC2=CC=CC3=C2N=CC=C3 1 3.434 1 3 -8.03317483112795 2992932 CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)OCC(=O)N3CCOCC3)C 1 2.524 2 4 -18.3923214386787 2992886 CC1CN(CC(O1)C)CCOCCSC2=CC=CC=C2.Cl Cl- 1 2.822 1 2 -5.12952919411301 2992879 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCOCC3 1 1.868 3 2 0 -7.98274520257201 2992861 CC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3 1 4.048 2 3 -12.495236400515 2992843 CC(=O)CCC1=CC=C(C=C1)OCCCOC2=CC=CC3=C2N=CC=C3 1 3.915 1 3 -8.87256718133697 2992825 CC1CCC(CC1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.916 1 3 -10.9552530230294 2992822 CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)C)C)OCC(=O)NC2CCCC2 1 3.062 2 4 -13.7458426942183 2992808 CC1=CC=C(C=C1)C2=NOC(=N2)CNS(=O)(=O)C3=CC=CC=C3 1 2.394 3 3 8.09003125494533e-002 2992799 CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCOCC3)C(F)F 1 3.117 3 1 3.57365916503847 2992790 CN1C2=CC(=C(C=C2N(C(=O)C1=O)C)[N+](=O)[O-])N3CCOCC3 1 0.207 4 5 0 -3.15161054815685 2992789 CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CC=C4Br 1 2.79 5 4 0 -10.0327094007032 2992787 C1=CC=NC(=C1)C(=O)NCCNC(=O)C2=CC(=CC=C2)F 1 1.378 3 2 0 -10.0461472026974 2992785 C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4 1 3.862 3 0 -0.938663195622462 2992776 CCOC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)NC3CCCCC3)OC 1 3.078 3 4 0 -13.7765833037942 2992756 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=C(C=C(C=C3)F)C 1 3.099 2 5 0 -10.7835275923402 2992754 CCCCN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=C(OC=C3C)C)O 1 2.904 1 4 -7.82587125209083 2992751 C1=CC=C(C(=C1)OCC(=O)NCCNC(=O)C2=CC=CC=N2)Cl 1 1.672 3 3 0 -14.4399483622578 2992731 CC1=CC=CC(=C1)C(=O)NCCNC(=O)C2=CC=CC=N2 1 1.658 3 2 0 -10.6928294417288 2992730 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)NCC3=CC=CS3 1 2.686 2 2 -4.86609291758846 2992711 C1CN(CCN1CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC=C(C=C3)Cl 1 2.509 3 2 -5.94808217351633 2992694 CCC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CC34CCC(C3(C)C)CC4=O 1 3.285 2 3 -2.71520078040186 2992689 CC1=CC(=C(C=C1C)S(=O)(=O)NCCCN2C=CN=C2)C 1 2.003 3 2 -2.85329491764243 2992681 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3)C 1 3.025 2 4 -17.0245949883508 2992656 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC 1 1.374 3 6 0 -18.2715842568217 2992649 C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NCC3=CC=CO3 1 1.982 2 3 0 -6.83394677244894 2992621 CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 3.121 1 4 -13.5160573712773 2992620 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C)Cl 1 1.111 4 3 0 -18.2611997419905 2992617 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4 1 2.406 4 4 0 -28.5620492954786 2992606 CCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC 1 3.944 2 3 -13.6924711524588 2992594 C1CCC(CC1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3 1 3.868 2 2 -8.64320188650625 2992593 CC1=C(C=CC(=C1)NC(=O)C2=CC(=CN=C2)Br)NC(=O)C3=CC4=CC=CC=C4O3 1 4.078 3 3 -4.96035930310651 2992563 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 2.051 2 4 -12.8602143492392 2992561 C1=CC=C(C(=C1)OCC(=O)NCCCNC(=O)C2=CN=CC=C2)Cl 1 1.306 3 3 0 -15.0168762837833 2992551 C1=CC=C(C=C1)CCCN2C3=CC=CC=C3N=C2CNC=O 1 3.154 3 1 -2.81368152979058 2992541 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCOCC3 1 0.988 2 5 0 -19.6514304345106 2992521 CC1=CC(=C2C(=C1)C3=C(N2C)N=C(N=N3)SCCN4CCOCC4)C 1 3.772 5 1 -7.76675916732378 2992519 CC1=CC=CC=C1OCC(=O)NCCNC(=O)C2=CC=NC=C2 1 1.065 3 3 0 -11.9418050021748 2992512 C1CCC(C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 4.889 3 0 -4.36426889831689 2992497 CCOC1=C(C=C(C=C1)CNCC2=CC=C(C=C2)C(=O)O)OC.Cl Cl- 1 0.192 1 4 0 -7.19348466595369 2992478 C1=CC=C2C(=C1)C=NN3C2=NC4=C3C=C(C=C4)Cl 1 3.441 3 0 1.30978646836678 2992471 C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 2.257 4 3 0 -12.7021983828901 2992453 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)NNC(=O)C3=CC=CC=N3 1 1.184 4 3 0 -6.96619640102786 2992448 CC1=NN2C(=C(C=NC2=C1C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)N 1 3.182 4 2 -6.02627897757711 2992435 CC1=CC=C(C=C1)CNC(=O)CS(=O)(=O)C2=CC=CC=C2 1 2.485 1 3 -13.105044997393 2992433 CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)OC 1 1.702 2 4 0 -20.4313800318687 2992425 COC1=CC2=C(C=C1)NC=C2CCNC(=O)CC3=CC=C(C=C3)F 1 3.46 2 2 -9.26920612467109 2992423 COC1=CC(=CC(=C1OC)OC)C(=O)NCCSC2=CC=CC=C2 1 3.179 1 4 -10.4079045761278 2992422 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C)C 1 2.691 2 3 -13.6577041017785 2992404 COC1=CC(=CC(=C1OC)OC)NC(=S)NC2=CC=CC=N2 1 3.706 3 3 -8.61289330487606 2992400 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)N3CCOCC3 1 1.256 2 3 0 -5.35361539819896 2992399 CCOC1=CC=CC(=C1)CNCC2=CC=C(C=C2)C(=O)O.Cl Cl- 1 0.208 1 3 0 -2.21429752462019 2992383 CCC1CCCCN1S(=O)(=O)CC2=CC=CC=C2Cl 1 3.436 1 2 -7.09209552939375 2992381 CC1=NN(C(C1)(C)C)CC2=CNC3=CC=CC=C32 1 2.264 3 0 0.334004331599283 2992377 CC1=CC(=CC=C1)OCC(=O)NCCNC(=O)C2=CN=CC=C2 1 1.065 3 3 0 -12.1926566726499 2992374 CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=C(C=CC(=C3)OC)OC)[O-] 1 1.946 2 5 0 -7.79649315162808 2992348 CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NCC3=CC=C(C=C3)OC 1 2.834 1 4 -8.89785688734478 2992347 C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=CC=N5 1 1.978 3 5 0 -13.2792796626822 2992344 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CNC(=O)C4=CC=C(O4)Br 1 3.419 3 3 -16.4721772375835 2992331 CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SC 1 3.237 2 2 -18.3179884931451 2992314 CC(C)CNC(=O)NC1=CC=CC=C1F 1 2.343 2 1 -8.39849318665537 2992308 CC1=CC=CC=C1OCC(=O)NCCCNC(=O)C2=CC=CC=N2 1 1.556 3 3 0 -14.9351939363324 2992282 C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)F)C(=O)C3=CC=CS3 1 2.494 1 3 -12.9990852415012 2992266 CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CO3)C(=O)OCC4=CC=CC=C4 1 4 1 4 -13.4073340375322 2992256 CCCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O 1 2.666 1 5 -5.53951214240094 2992252 CC(C(=O)NCC1=NC(=NO1)C2=CC=C(C=C2)OC)OC3=CC=CC=C3 1 2.508 3 4 0 -4.39165050224478 2992248 C1=CC=C(C=C1)C(C(=O)O)NC2=NC(=NC3=CC=CC=C32)C(F)(F)F 1 3.507 3 2 -6.72370171981449 2992241 CC1=CC2=C(C=C1)NC=C2CCNC(=O)C3CCCCC3 1 4.184 2 1 -7.8433868776683 2992227 COC1=CC(=C(C=C1)NC(=O)NC2=CC=CC=C2F)[N+](=O)[O-] 1 2.606 3 4 0 -6.84760799108464 2992219 CCOC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)NC3CCCC3)OC 1 2.622 3 4 0 -13.4221147896261 2992213 CC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CO3 1 2.216 1 4 -12.1801552595752 2992211 CN1C(=O)C(=C(C=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)Cl 1 1.373 4 3 0 -17.8958607965051 2992209 CC1=C(N=CC=C1)NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)OC 1 3.084 2 3 -4.29356327221436 2992208 CS(=O)(=O)N1CCCC(C1)C(=O)NC2=C(C=C(C=C2)F)F 1 1.173 2 3 0 -8.97868531477664 2992207 CN1C2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3[N+](=O)[O-])N(C1=O)C 1 1.818 4 4 0 -17.0352319614373 2992201 C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2CCNC=O 1 2.946 3 1 -6.50590608950783 2992195 CC1=CC(=NO1)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)F)Cl 1 3.828 2 3 -5.78584931194564 2992181 CCS(=O)(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl 1 0.973 4 3 0 -19.048266956181 2992178 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC(=CC=C4)Cl 1 2.055 4 4 0 -13.0701136541223 2992175 COC1=CC=C(C=C1)C2=NOC(=N2)CNC(=O)C3=CC4=C(C=C3)OCO4 1 1.956 3 5 0 -4.85622283359213 2992172 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)OC(=O)C)C 1 2.157 2 5 0 -13.4235315384649 2992168 COC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCOCC3)C(F)(F)F)OC 1 3.087 3 3 1.41437112909543 2992149 CN1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)OC)Cl 1 2.172 3 5 0 -6.67152614050355 2992148 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CCSC4=NC=CC=N4 1 2.5 7 2 0 -11.9482219457657 2992147 CCOC(=O)C1CCCN(C1)S(=O)(=O)CC2=CC=CC=C2Cl 1 2.429 1 4 -16.0206666859092 2992119 C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)NC(=O)COC3=CC=C(C=C3)Cl 1 2.755 3 3 -14.0082166756978 2992110 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCNC(=O)C3=CC=CC=N3 1 2.691 3 2 -7.77880268447668 2992109 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCCCN2C=CN=C2 1 0.512 3 4 0 -5.7719399674105 2992108 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N4C2=NC(=O)C(=N4)CCC(=O)O)F 1 2.715 4 3 0 -14.1724234014985 2992089 C1=CC=C2C(=C1)N=CN2CC(=O)C3=CC=C(C=C3)Cl 1 3.471 2 1 -2.48164917786843 2992078 CC1=NN(C(C1)C2=CC=CC=C2)C(=O)CCC3=CC=CC=C3 1 3.233 2 1 -7.35317840252847 2992072 CNC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 2.581 6 2 0 -10.6797642743411 2992069 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC3 1 2.677 2 4 -13.7508140424318 2992053 CCOC1=C(C=C(C=C1)S(=O)(=O)NC2CCCC2)C 1 2.961 1 3 -7.53695489592633 2992046 CCN(CC)C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 1 1.788 3 3 0 -6.13816849751655 2992040 CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3N=C2CCNC(=O)C 1 3.238 3 2 -7.20230756680887 2992031 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCN3CCOCC3)CCOC 1 0.473 5 4 0 -15.743637059416 2992022 C1CSC(C(=O)N1)CC(=O)NC2=CC=CC=C2Cl 1 1.358 2 2 0 -17.2685571265372 2991996 C1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC=CS2 1 0.989 2 3 0 -11.0869804121723 2991995 CC1=C(C=C(C=C1)S(=O)(=O)NC2CCCCCC2)C(=O)N 1 2.544 2 3 -11.7712072708342 2991971 COC1=CC=CC(=C1OC)C(=O)NCC2(CCCC2)C3=CC=CC=C3 1 4.043 1 3 -18.8069284288159 2991968 CCCC(=O)C1=CC2=C(C=C1NC(=O)CC)OCCO2 1 2.266 1 4 -12.7403435715612 2991959 CC1=NN(C(C1)C2=CC=CC=C2)C(C#N)C3=CC=CC=C3C 1 3.352 3 0 -1.10760278590601 2991940 CC1=CC(=CC=C1)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCN(CC4)C5=CC=C(C=C5)OC 1 3.849 6 3 0 -8.24710881587641 2991934 CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CSC3=CC=C(C=C3)Cl)C 1 3.152 4 1 -1.21931199904281 2991920 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)NC4CCCCC4 1 4.129 3 3 -18.7843742271273 2991913 CC1=CC=CC=C1OCC(CNC2CCCC2)O.Cl Cl- 1 2.794 1 2 -2.5585540795847 2991908 C1CCC(C1)NC(=O)C(=O)C2=CNC3=CC=CC=C32 1 2.619 2 2 -3.59841243275845 2991900 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)NC(=O)C3=CC=CC=C3 1 2.274 2 5 0 -13.3653373369436 2991897 COC1=CC=CC(=C1OCCN2C(=O)C3=CC=CC=C3C2=O)C=O 1 2.237 1 5 -1.67065263142399 2991892 CCOC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)C3=CC=CC=C3)C(=O)C)OC 1 2.49 2 4 -25.657240050727 2991858 CCN1CCN(CC1)CC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C 1 2.377 6 2 0 -13.9747057996855 2991856 CC1=C(OC(=C1)C(=O)NC2=NN=CS2)C 1 1.115 3 2 0 -6.43542855449347 2991852 COC1=CC(=CC(=C1OC)OC)NS(=O)(=O)C 1 0.691 1 5 0 -8.77545179483704 2991841 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=S)NCC3=CC=CO3 1 4.252 3 1 -6.8104934932449 2991840 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(O3)C=CC(=C4)Br 1 4.216 2 2 3.97046612809594 2991839 CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2CCCC2)OC 1 1.247 2 4 0 -14.1666134519141 2991833 CC(C1=CC=CC=C1)NC(=O)CS(=O)(=O)C2=CC=CC=C2 1 2.376 1 3 -14.3397232703743 2991813 C1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NN=C(S2)C(F)(F)F 1 1.815 3 3 0 -12.1296034419322 2991811 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)OC 1 3.369 2 4 -16.3966545874205 2991808 COC(=O)C1=CC=C(C=C1)OCC2=NNN=N2 1 0.99 4 3 0 -8.22247398910162 2991805 C1COCCN1C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)Cl 1 3.027 2 2 -8.34589906186294 2991803 CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N4C2=NC(=O)C(=N4)C 1 3.199 4 2 -5.49565415880143 2991801 CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2 1 2.143 3 4 0 -32.140755979833 2991792 CN1C2=C(C=C(C=C2)NC(=O)C3=C(C=CC=C3OC)OC)N(C1=O)C 1 1.856 3 4 0 -13.9744276162841 2991791 CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3 1 2.741 3 2 -14.5869975060961 2991779 C1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)Br 1 4.239 1 2 -1.77502132464072 2991757 CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C 1 1.959 6 4 0 -15.9084910600907 2991750 CN(C1CCCCC1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 4.556 2 4 -5.66016057443335 2991744 CCN(CC(=O)NCC1=CC=NC=C1)S(=O)(=O)C2=CC=CC=C2 1 0.788 3 3 0 -20.2459129105621 2991741 CC1=CC(=CC(=C1)NC(=O)CSC2=CC=CC=N2)NC(=O)CSC3=CC=CC=N3 1 3.449 4 2 -11.0036049107369 2991712 C1=CC=NC(=C1)C(=O)NCCNC(=O)COC2=CC=C(C=C2)Br 1 1.756 3 3 0 -13.3260594255719 2991697 C1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CN=CC=C2 1 0.841 2 3 0 -9.88658280294969 2991696 CCOC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C 1 1.094 2 4 0 -13.6137184493697 2991691 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C)Cl 1 1.408 4 2 0 -7.89199835992601 2991688 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CS3 1 1.681 3 3 0 -9.49517519080337 2991660 CC1=CC=CC(=C1)C(=O)NCCNC(=O)C2=CN=CC=C2 1 1.23 3 2 0 -8.64937601124598 2991658 CS(=O)(=O)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CCCCC3 1 1.214 5 3 0 -12.7971832252434 2991656 CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=C(S3)N 1 1.935 4 1 0 -14.7922336634051 2991636 CC1C(OC2=CC=CC=C2O1)C(=O)NC3=NOC(=C3)C 1 1.903 2 4 0 -13.350477228487 2991628 CC1=C(SC=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CC=C3 1 2.561 1 3 -12.8120682527878 2991625 C1CN(CCC1C(=O)N)CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O 1 2.434 2 3 -0.607973214455426 2991619 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC(C)C(=O)NC2CC2 1 1.244 2 4 0 -15.4966397091922 2991617 CCCCN1C2=C(C=C(C=C2)F)C3=C1N=C(N=N3)SCCN4CCOCC4 1 4.334 5 1 -9.94355899184262 2991615 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC=CC=C3 1 1.718 2 5 0 -20.3051735195021 2991613 C1C(N(N=C1C2=CC=CS2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4O 1 4.127 2 2 -4.06253391736793 2991609 CC1=C(C=C(C=C1)OCC(=O)NCCNC(=O)C2=CN=CC=C2)C 1 1.551 3 3 0 -13.3730172204296 2991603 C=CCN1C2=CC=CC=C2C3(C1=O)OCCCO3 1 1.404 1 3 0 -11.3817150804929 2991601 CCN1C2=C(C=C(C=C2)F)C3=C1N=C(N=N3)SCCN4CCOCC4 1 3.354 5 1 -5.51476657394145 2991595 CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)OC 1 2.126 3 5 0 -31.6870316728328 2991589 C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=C(C=C(C=C3)Br)F 1 3.121 2 2 -6.2861226619326 2991576 CCCCC1=C2CCCC2=C3C4=C(C(=O)N(C=N4)N)SC3=N1 1 3.379 4 1 -10.2397771802155 2991558 CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4 1 3.125 6 2 0 -11.1726161050036 2991546 COC1=CC=CC(=C1)N2CC(=O)N(CC2=O)C3=CC(=CC=C3)OC 1 1.651 2 4 0 -4.89418344771563 2991541 COC1=CC=C(C=C1)OCC(=O)NCCNC(=O)C2=CN=CC=C2 1 0.563 3 4 0 -13.7453480156076 2991521 CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC=C(C=C2)F 1 0.967 2 3 0 -9.21480077090444 2991517 CC1=CC=C(C=C1)C(=O)N(CC2=C(C=CS2)C)C3CCS(=O)(=O)C3 1 3.047 1 3 -12.2047172796122 2991514 C1CCC2=C(C1)C(=C(S2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O)C#N 1 3.117 2 4 -16.7867043457385 2991507 COC1=CC=CC(=C1)C(=O)NCCCNC(=O)C2=CC=CC=N2 1 1.218 3 3 0 -12.9837183031984 2991499 C1CCN(CC1)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4 1 3.475 3 1 -7.86754806816693 2991488 CC1=C(C(=CC=C1)OCC(=O)N(CC2=CC=C(O2)C)C3CCS(=O)(=O)C3)C 1 2.47 1 5 -12.2392370656224 2991484 C1COCCN1NC(=S)NC2=CC(=CC(=C2)F)F 1 2.253 3 1 -6.48161947951796 2991483 C1=CC=C(C=C1)CNC(=O)CS(=O)(=O)C2=CC=CC=C2 1 1.999 1 3 0 -14.2128913642208 2991464 COC(=O)C1=CC=CC=C1NC(=O)C(=O)NCC2CCCO2 1 0.518 2 5 0 -21.6184575133921 2991463 C1=CC(=CC=C1OCC(=O)NCCNC(=O)C2=CC=NC=C2)Br 1 1.327 3 3 0 -11.6533233162333 2991445 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3 1 2.993 2 4 -16.492668742503 2991441 CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.506 3 4 0 -15.4807389892487 2991435 CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(O3)Br 1 2.552 3 4 0 -6.34111816821535 2991419 C1CC1NC(=O)C(=O)C2=CNC3=CC=CC=C32 1 1.707 2 2 0 -4.11201861292561 2991404 CCN1C2=CC=CC=C2N=C1CN(C)C3=CC=CC=C3 1 3.839 3 0 1.67914975144375 2991399 CC1CCCCN1C(=S)NC2=CC(=C(C(=C2)OC)OC)OC 1 4.293 2 3 -13.8839005240179 2991393 C1COCCN1C2=CC=CC=C2NC(=S)NC3=CC(=CC(=C3)F)F 1 4.627 3 1 -5.82164221206736 2991375 COC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3CCCO3 1 2.165 2 4 -17.6433891855623 2991371 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)Br 1 1.22 4 3 0 -14.2415399619455 2991354 CCCOC1=CC=CC(=C1)C(=O)NCCCNC(=O)C2=CN=CC=C2 1 1.662 3 3 0 -11.5843787583747 2991352 CCN(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.307 3 3 -9.90467179135324 2991331 COC1=CC=CC=C1CNC(=O)C2CCCN(C2)S(=O)(=O)C 1 0.752 2 4 0 -19.7061122566079 2991330 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3=CC=CC=C3 1 2.176 2 4 -20.0659879798893 2991320 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)OC 1 0.276 3 3 0 -14.7965640040968 2991309 CC1=CC(=CC=C1)OCC(=O)NCCNC(=O)C2=CC=CC=N2 1 1.494 3 3 0 -12.6969498084432 2991302 C1=CC=NC(=C1)C(=O)NCCCNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.563 3 2 -8.34926038807688 2991298 CC1=CC=C(C=C1)C2=NOC(=N2)CNC(=O)C3=CC4=C(C=C3)OCO4 1 2.459 3 4 0 -4.44325662444799 2991279 C1C(=O)C(=C(N1C2=CC3=C(C=C2)OCO3)N)C4=CC=CC=C4 1 2.435 2 3 -4.81667568768114 2991274 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3)Cl 1 3.538 1 4 -5.31289094299012 2991268 CC1=CC=CC=C1NC(=O)COC2=C(C=C(C(=C2)Br)CO)OC 1 3.063 1 4 -10.2873750921551 2991266 CC1=CC(=C(C(=C1C)S(=O)(=O)NCCCN2C=CN=C2)C)C 1 2.49 3 2 -3.86633401064233 2991211 C1CN(CC2=CC=CC=C21)C(=O)C(=O)C3=CNC4=CC=CC=C43 1 3.081 2 2 -6.52131462414214 2991213 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C=O)OC 1 1.547 1 4 0 -17.6554671307702 2991219 CCC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)F 1 3.355 2 2 -5.70625735756445 2991260 CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 0.548 2 5 0 -14.3285485152 2991202 COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCOCC3)Cl 1 1.902 2 6 0 -10.9968589651479 2991136 CON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC(=CC=C3)Br)[O-] 1 2.378 2 3 -3.62847768814814 2991141 CC1CN(CC(O1)C)CC2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)C 1 2.19 5 3 0 -17.8130324461432 2991161 COC1=CC=CC=C1C(=O)NCCCNC(=O)C2=CN=CC=C2 1 0.79 3 3 0 -13.8091314144782 2991160 CCCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OCO3 1 2.919 2 4 -16.711730325949 2991150 CCOC1=C(C=C(C=C1)Cl)CNC2=NN=NN2C 1 1.598 5 1 0 -10.2248571380243 2991145 CCOC(=O)C1=C(N=C(S1)NC(=O)CC2=CC=C(C=C2)C)C 1 2.911 2 3 -11.9831147504877 2991130 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N3CCC(CC3)C(=O)N)C 1 0.187 2 4 0 -5.53818045467377 2991121 CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3CC=CCC3C2=O 1 1.275 2 5 0 -12.2799225609607 2991120 CCN(CC(=O)NCC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC 1 0.772 3 4 0 -21.7617544301034 2991116 CC1=CC=C(S1)CCC(=O)NC2=CC=CC=C2F 1 2.988 1 1 -7.23440706219867 2991109 CCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC(=O)OCC)[O-] 1 2.542 2 6 0 -12.3621912464692 2991105 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=NC=NN3)C(=O)C4=CC=CC=C4F 1 2.03 6 2 0 -7.17014298363135 2991091 COC1=CC(=CC(=C1)NC(=O)C2CC(=O)NC3=C2C(=O)CCC3)OC 1 0.573 2 5 0 -19.8417817094338 2991086 CC1CCCCN1C(=O)C2=CC=C(C=C2)CS(=O)(=O)CC3=CC=CC=C3 1 3.655 1 3 -11.616252821193 2991083 C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3)Br 1 3.135 1 4 -5.21935629722397 2991079 C1COC2=C(O1)C=C(C(=C2)N)C(=O)C3=CC=CC=C3F 1 2.478 1 3 -3.66198546997813 2991075 CN1C2=CC=CC=C2N=C1C3CCCCC3 1 3.938 2 0 1.02081301024617 2991064 C1=CC=NC(=C1)C(=O)NCCNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.501 3 2 -7.19702056027037 2991055 C1=CC=C(C(=C1)C2=NN(N=N2)C3=CC=C(C=C3)F)Cl 1 3.951 4 0 4.57465220009091 2991053 CCN(CC(=O)N1CCCCC1)S(=O)(=O)C2=CC=CC=C2 1 1.478 2 3 0 -15.3455262562301 2991043 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC4=CC=CC=C4C3)CCCO 1 1.348 5 3 0 -16.2861279713236 2991041 CC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(=O)NC3CCCC3 1 3.705 2 2 -15.7771560813311 2991032 CC1=C(OC2=C1C(CC(C2)(C)C)O)C(=O)NC3=C(C=CC(=C3)OC)OC 1 3.202 1 5 -7.4364563622166 2991024 COC1=CC(=CC(=C1OC)OC)NC(=S)NCCCN2CCOCC2 1 2.351 3 4 0 -15.7254143791349 2991012 C1CC(OC1)CNC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F 1 3.79 3 1 0.900517139935667 2990981 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.929 3 4 0 -14.0744596514576 2990975 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)Cl 1 1.465 2 5 0 -21.943272015941 2990973 CCOC1=C(C(=CC(=C1)CO)Br)OCC(=O)N 1 1.143 1 4 0 -8.24266306454997 2990967 CC1=CC=C(C=C1)OCC(=O)NCCNC(=O)C2=CC=CC=N2 1 1.494 3 3 0 -13.6913983710572 2990962 CCOC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)NCCC3=CC=CC=C3)OC 1 3.125 3 4 0 -15.8660866838886 2990940 C1=COC(=C1)C2=CC(=NC(=N2)NCC3=CC=CS3)C(F)(F)F 1 3.945 3 1 3.18363639324083 2990922 CC1=NN(C(C1)(C)C)C(C#N)C2=CC=CC=C2OC 1 1.82 3 1 0 -5.61123283222783 2990919 C1=CC=NC(=C1)C(=O)NCCNC(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.501 3 2 -8.91585899453435 2990917 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4C(=C3)C)OC)OC 1 3.918 3 3 -3.21057774794134 2990913 CC1=CC(=NN1CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C 1 2.559 3 2 -6.79009057509173 2990902 CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C)Cl 1 2.81 3 3 -12.6316410824988 2990901 CCOC1=C(C(=CC(=C1)CO)Br)OCC(=O)NC2=CC=CC=C2C 1 3.412 1 4 -11.1589367330764 2990897 C1CN(C2=CC=CC=C21)C(=O)CS(=O)(=O)C3=CC=CC=C3 1 2.273 1 3 -14.743586675222 2990891 CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C 1 -0.4 3 5 0 -16.0930839731104 2990868 CC(C)(C)NC1=NC(=NC(=N1)N2CCCCC2)OCC#N 1 1.949 6 1 0 -8.47646757909456 2990865 COC1=CC(=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C)OC 1 0.729 2 5 0 -13.8574312571155 2990852 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.794 3 4 0 -14.4222263658526 2990846 CN1C2=C(C=C(C=C2)F)C3=C1N=C(N=N3)SCCN4CCOCC4 1 3.005 5 1 -7.39309473961486 2990845 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)N3C(=C(C(=N3)C)Cl)C)C 1 3.02 4 3 0 -19.1022092994372 2990839 C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)NC(=O)C3=CC=CC=C3F 1 2.461 3 2 -15.5113615978653 2990822 CCC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC3=NOC(=C3)C 1 2.517 6 2 0 -31.4708101277667 2990820 CC1=C(N=CC=C1)NC(=S)NC2=CC(=C(C(=C2)OC)OC)OC 1 4.192 3 3 -7.95168994534038 2990816 C1CN(CCN1C(=O)C2=CC=CO2)C(=S)NC3=CC(=CC(=C3)F)F 1 3.735 3 2 -11.6568659813002 2990814 CC1=CC=CC=C1OCCN2C3=CC=CC=C3N=C2CCNC(=O)C 1 3.238 3 2 -8.02675084300937 2990810 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)C3=CN=CC=C3 1 2.24 4 2 -14.3218744294995 2990797 COCCCNC(=O)C1CCCN(C1)S(=O)(=O)C 1 -0.883 2 4 0 -21.9528525890316 2990795 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 1.801 4 3 0 -12.7021983828901 2990793 CC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=CC4=C(C=C3)OCO4 1 3.49 2 3 -9.52273458137524 2990767 CC(=O)C1=CC(=CC=C1)N(CC(=O)NC2=CC=CC=C2F)S(=O)(=O)C 1 1.528 2 4 0 -17.255018447712 2990760 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3 1 2.056 3 4 0 -17.1918205501339 2990759 CC(C1=NC(=O)C2=CC=CC=C2N1)SCC(=O)NC3=CC=C(C=C3)OC 1 2.414 3 3 -10.4510319081526 2990752 COC1=CC=CC=C1CNC(=O)CS(=O)(=O)C2=CC=CC=C2 1 1.982 1 4 0 -15.8006820346154 2990745 CCN(CC)C(=O)NC1CCCCCCC1 1 3.043 2 1 -6.59637439553777 2990744 CCOC(=O)CC1C(=O)NCCN1CC2=CC=CS2 1 0.961 2 3 0 -29.1895245701826 2990742 CC1=CC=C(C=C1)SCC2=CC=C(O2)C(=O)NC3=NC=CS3 1 3.696 2 2 -5.09811881317142 2990737 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)C(=O)OCC 1 2.506 2 6 0 -18.7504033855578 2990729 C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC(=CC(=C3)F)F 1 3.21 5 0 -6.47105831648605 2990714 C1CCN(CC1)C2(CCN(CC2)C(=S)NC3=CC(=CC(=C3)F)F)C(=O)N 1 3.41 4 1 -12.9908785862431 2990697 C1CCC(CC1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 3.995 2 4 -4.61522570069092 2990674 CC1=CC=C(C=C1)C(=O)NCCNC(=O)C2=CC=CC=N2 1 1.658 3 2 0 -10.773286089462 2990669 CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)Cl)C 1 2.918 2 1 -3.54738924757439 2990664 CCOC1=C(C=C(C=C1)C2=NOC(=N2)CCCC(=O)NC3CCCCC3)OC 1 3.535 3 4 0 -12.6892828871901 2990659 C1CCC(CC1)CNC(=O)C2=CN=CC=C2 1 2.076 2 1 -9.10030512094718 2990652 CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3CC 1 2.857 5 2 0 -13.8321689356447 2990651 CC1=CC=C(C=C1)NC(=O)CSC(C)C2=NC(=O)C3=CC=CC=C3N2 1 2.917 3 2 -10.0380656990085 2990635 C1=CC(=C(C=C1F)F)OCC2=NNN=N2 1 1.545 4 1 0 -3.82478876879428 2990621 C1CCC(CC1)CNC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 3.121 2 3 -11.497041371715 2990613 C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=CC=CC(=C3)C(=O)O.Cl Cl- 1 3.513 3 2 -0.713498011162913 2990599 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3F 1 2.544 2 3 -12.7752507326357 2990597 C1CN(CC2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)F 1 2.82 2 1 -7.59026438364275 2990591 CC1CCCCN1S(=O)(=O)CC2=CC=CC=C2Cl 1 2.912 1 2 -8.088464429215 2990590 CC1=NON=C1NC(=O)CSC2=NC3=CC=CC=C3O2 1 1.701 4 3 0 -11.0561468442453 2990568 COC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3 1 2.65 2 4 -19.912341336916 2990565 CC1=NN=C(S1)NC(=O)CCSC2=CC=C(C=C2)Cl 1 2.655 3 1 -9.71616492230759 2990552 CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)OC 1 1.361 6 4 0 -10.2764417516803 2990528 CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 3.668 6 2 0 -14.9968425389669 2990518 CC(C)N(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)CC3=CC=CC=C3 1 3.172 3 2 -3.60751230551623 2990516 CC1=CC=C(O1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CC=C3OC 1 1.646 1 5 0 -13.6774007396388 2990515 C1=CC=C(C=C1)CCNC2=NC=C(C=C2)C(F)(F)F 1 3.401 2 0 1.98425357185964 2990499 C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br 1 3.694 2 2 -8.41473842612532 2990497 C1=CC(=CC=C1OCC2=NNN=N2)Cl 1 1.799 4 1 0 -2.06766517725779 2990495 CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC(=CC=C2)F 1 0.967 2 3 0 -8.13567213073925 2990488 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C)C 1 2.564 3 3 -9.42803250216869 2990476 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CCOC 1 2.23 4 3 0 -16.0180147318397 2990472 C1=CC=C(C=C1)S(=O)(=O)NCC2=NC3=CC=CC=C3N2 1 2.033 3 2 -3.96274243588133 2990469 C1=CC=C2C(=C1)C(OC2=O)NC3=NC=CC=N3 1 1.365 3 2 0 -5.88043225652701 2990464 CCOC(=O)N1CCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3 1 3.594 4 2 1.15433339416937 2990458 C1CN(CCN1)CC(=O)NCCSC2=CC=C(C=C2)Cl.Cl Cl- 1 1.656 3 1 0 -10.7485256606133 2990456 CN(C)CC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl.Cl Cl- 1 3.181 2 2 -3.27811646495955 2990437 CC1=C(C=CC(=C1)S(=O)(=O)NC(C)C(=O)NC2CC2)OC 1 1.244 2 4 0 -15.0450243714371 2990426 CC1=NN(C=C1)C(CC(=O)C2=CC=C(C=C2)Br)C(=O)O 1 2.631 2 3 -7.21234744089771 2990420 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4 1 3.578 3 4 0 -12.7145253981417 2990407 CC1=C(C(=NN1C2=CC=CC(=C2)C(=O)O)C)[N+](=O)[O-] 1 2.008 3 4 0 -1.567898478652 2990385 CS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC=CO2 1 -5.e-002 2 4 0 -19.3323748909404 2990374 C1CN(CCC1C(=O)N)C(=O)NC(=O)C2=CC=CC=C2 1 0.498 3 3 0 -6.65842816450236 2990373 CC1=CC=CC(=C1)C2=NOC(=N2)CNC(=O)C3=CC=CO3 1 2.086 3 3 1.04470642896719 2990372 CCC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC=CC=N2 1 1.473 3 2 0 -12.8994012726803 2990363 COC1=CC2=C(C=C1)NC=C2CCNS(=O)(=O)C3=CC=CC=C3 1 2.922 2 3 -6.09033235782008 2990360 CN1C2=C(C=C(C=C2)F)C3=C1N=C(N=N3)SC 1 3.178 4 0 -1.77475760335561 2990341 CCC1=NN=C(S1)NC(=O)CS(=O)(=O)C2=CC=CC=C2 1 1.394 3 3 0 -17.3734900111549 2990335 COC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)Cl 1 1.871 2 5 0 -19.7983238966891 2990308 CC1=CC=CC=C1C(=O)N(CC2=CC=C(O2)C)C3CCS(=O)(=O)C3 1 2.148 1 4 -12.2161481361421 2990306 CCOC1=C(C=CC(=C1)C2=NOC(=N2)CCC(=O)NCC3CCCO3)OC 1 1.579 3 5 0 -19.9039391614632 2990305 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NOC=C3)Cl 1 2.306 3 4 0 -18.3453505691403 2990301 CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.506 3 4 0 -16.46748438263 2990298 CCOCCCNCC1=CC(=C(C=C1)OCC(=O)N2CCOCC2)OC.Cl Cl- 1 0.568 2 5 0 -17.408124563842 2990297 CC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)O 1 -1.902 2 3 0 -26.7701677665827 2990290 CC(C(=O)C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)OC 1 1.846 6 4 0 -8.72228105905242 2990288 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCOC)CCCC3=CC=CC=C3 1 3.007 4 3 0 -11.4783544271859 2990277 CCN(CC(=O)NCC1=CC=NC=C1)S(=O)(=O)C2=CC=C(C=C2)OC 1 0.772 3 4 0 -19.7628694804701 2990265 CC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC=N3)NC(=S)NC(=O)C4=CC=CO4 1 4.143 4 3 0 -3.02262406755764 2990246 CCC(=O)N1C(CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=CS3 1 2.176 3 3 -12.2615966618632 2990241 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CC5=CC=CC=C5 1 3.291 6 2 0 -11.7066782522146 2990213 CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC34CCC(C3(C)C)CC4=O 1 2.829 2 3 -1.47575632818859 2990199 CC1=CC=CC=C1OCC(=O)NCCCNC(=O)C2=CN=CC=C2 1 1.128 3 3 0 -14.3598820300514 2990191 CCOC1=C(C=CC(=C1)C2=NOC(=N2)CCCC(=O)NC3CCCCC3)OC 1 3.535 3 4 0 -12.3674737250587 2990174 CC1=C(SC=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=C(C=C3)OC 1 2.545 1 4 -12.4293868944226 2990170 CCN(CC)C(=O)N(CC)CC1=CC=CC=C1 1 2.411 2 1 -5.36598411525264 2990152 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=N3)C 1 2.868 3 3 -15.844953098077 2990150 COC1=C(C=C(C=C1)Cl)S(=O)(=O)NCCCN2C=CN=C2 1 1.193 3 3 0 -4.00675631267723 2990147 C1=CC(=C(C=C1C2=CC=C(O2)C(=O)NC3=NC=CS3)Cl)F 1 3.686 2 2 1.24934393246541 2990132 CCN1C2=CC=CC=C2N=C1CN3CCN(CC3)CCO 1 1.585 4 1 0 3.30505350785187 2990108 CC1=CC=CC=C1C2CC3=C(C=NN3C4=NC(=CC(=N4)C)C)C(=O)C2 1 3.525 4 1 -8.69060581231005 2990107 CN1C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)OC)N(C1=O)C 1 1.856 3 4 0 -16.8414025447778 2990102 CC1=CSC(=N1)SC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C 1 2.25 5 2 0 -13.5884595145135 2990094 C1=CC=C(C=C1)C2=NN(N=N2)C3=CC=C(C=C3)F 1 3.287 4 0 3.75078859340569 2990090 CC1=C(C=C(C=C1)OCC(=O)NCCNC(=O)C2=CC=NC=C2)C 1 1.551 3 3 0 -12.2045742468844 2990071 CCOC(=O)N1CCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 3.036 4 3 0 4.84044485644091 2990019 CCCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.628 3 6 0 -11.9184810812824 2990015 C1=CC=NC(=C1)C(=O)NCCNC(=O)COC2=CC=C(C=C2)Cl 1 1.672 3 3 0 -11.8693996804704 2990010 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C 1 2.548 2 3 -1.76388561915752 2990008 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC4=CC=CC=C4C3)CCOC 1 1.694 5 3 0 -21.0122588640421 2989989 C1CC(OC1)CNC(=O)C2=CC(=CC=C2)OC3=C(C=CC=C3Cl)[N+](=O)[O-] 1 3.515 2 5 0 -10.582189106286 2989981 CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=C(C=C3C)C)C 1 2.635 3 5 0 -12.5543952613418 2989975 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.288 3 3 -4.71488116975859 2989967 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=CC=C4F 1 2.701 2 5 0 -19.6812705605714 2989959 CC1=NC(=CC=C1)NC(=S)NC2=CC(=C(C(=C2)OC)OC)OC 1 3.988 3 3 -8.43409085258975 2989954 COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 4.016 4 3 0 -12.4824831356199 2989949 CCN(CC(=O)N1CCCC1)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.006 2 4 0 -14.50801431197 2989947 CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C 1 4.095 2 3 -10.2476401074026 2989946 CS(=O)(=O)N(CC1=CC=C(C=C1)F)CC(=O)NC2CCCC2 1 1.621 2 3 0 -13.3456738521393 2989910 COC1=C(C=C(C=C1)F)S(=O)(=O)NCCCN2C=CN=C2 1 0.734 3 3 0 -5.40691002492413 2989894 C1CC1NC(=S)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.977 3 0 -4.87787507848405 2989882 CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCN=C2CC3=CC=CC=C3)F 1 3.047 2 3 -12.2394891862922 2989877 CCOC1=CC=C(C=C1)CN2C3=CC=CC=C3OC2=O 1 3.461 1 3 0.877612810523259 2989867 CCCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3 1 3.917 1 3 -9.26676022296251 2989855 CSC1=NC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)F)N=N1 1 4.762 4 0 -3.35817512464503 2989848 CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CC(=O)OC)C 1 0.466 4 3 0 -9.8120312082019 2989844 CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)CCO 1 2.705 5 1 6.88069919683974 2989842 CC1=NN(C(C1)C2=CC=CC=C2)C(C#N)C3=CC=CC=C3OC 1 2.849 3 1 -2.86970264510667 2989826 CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=CC=C3Cl 1 4.276 2 2 -11.7385795408983 2989824 CC1=COC(=C1C(=O)CC2(C3=C(C=CC(=C3)Cl)N(C2=O)C)O)C 1 2.24 1 4 -1.0189254354112 2989818 CCN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)C(C)(C)C)O 1 2.809 1 3 -6.98958678475153 2989817 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 1.695 3 5 0 -17.8065256444802 2989814 CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)F 1 1.761 2 5 0 -19.0638587496192 2989811 CCOC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C 1 1.094 2 4 0 -11.1058671572219 2989804 CN(C)S(=O)(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O 1 1.558 3 4 0 -16.2502592336698 2989803 CC1CC2=NC(=NC=C2C(=O)C1)NC(=O)C3=CC=C(C=C3)OC 1 2.12 3 3 -14.0276723721891 2989798 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4 1 2.478 5 4 0 -2.5248681123449 2989796 C1COCCN1C2=CC=C(C=C2)NC(=O)CCN3C4=CC=CC=C4OC3=O 1 2.28 3 4 0 -7.29787650643992 2989793 C1CC(OC1)CN(CC2=CC3=CC=CC=C3NC2=O)S(=O)(=O)C4=CC=CC=C4 1 2.272 2 4 -16.622643515643 2989790 C1=CC=C(C=C1)C2=CC=C(C=C2)CNCC(C3=CC(=CC=C3)O)O.Cl Cl- 1 3.716 1 2 5.82570498618197 2989778 CCN(CC(=O)N1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)F 1 0.454 2 4 0 -15.3059360413043 2989776 C1CCC(CC1)NC(=O)CSC2=NC3=C(N2)C=CC=N3 1 2.392 4 1 -11.7264369766171 2989763 CC1=NN(C(C1)(C)C)C(C#N)C2=C(N(N=C2C)CC3=CC=CC=C3)C 1 2.498 5 0 -8.55517527830968 2989726 CC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC 1 3.863 2 3 -14.5372618171966 2989721 CS(=O)(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CC=C3O 1 2.253 2 3 -2.1382629152175 2989708 CCOC1=C(C=CC(=C1)C=O)OCC(=O)NC(C)(C)C 1 1.896 1 4 0 -18.3391977941982 2989705 CCOC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3 1 2.671 2 4 -15.8453650820573 2989697 CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)OC(F)F)Cl 1 2.781 3 4 0 -7.30621668275084 2989663 CC1=C(C=CC=C1Cl)NC(=O)CSC(C)C2=NC(=O)C3=CC=CC=C3N2 1 3.581 3 2 -8.87952091039969 2989654 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CCCCC3 1 3.602 2 4 -19.7156451286229 2989653 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCC3=CC=CC=C3)CC=C 1 3.755 4 2 -11.0842013574292 2989641 CC1=C(C2=NSN=C2C=C1)NC(=O)COC3=CC=CC=C3F 1 3.269 3 2 -5.37412728285366 2989631 CC1=CC(=C2C(=C1)C3=C(N2C)N=C(N=N3)SCCN4CCCCC4)C 1 5.001 5 0 -5.3681529564117 2989621 C1CCN(CC1)C(=O)CNC(=O)CNC(=O)CC2=CC=C(C=C2)Cl 1 0.979 3 3 0 -13.0228930059586 2989614 CN(C1CCCCC1)C(=O)CNC(=O)C2=CC=C(O2)Br 1 2.125 2 3 -13.3092698213147 2989612 C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=O)N(C=N4)CC5=CC=CC=C5)N6CCOCC6 1 4.643 4 2 -9.78091154511857 2989607 CCOC1=C(C=CC(=C1)C2=NOC(=N2)CCC(=O)NCCC3=CC=CC=C3)OC 1 3.125 3 4 0 -15.5442775217572 2989582 CC(C)CCN1C2=C(N=C1SCCOC)N(C(=O)NC2=O)C 1 2.227 4 3 0 -11.6063543704873 2989575 CC1=CC(=C(C=C1Br)S(=O)(=O)NCC2=CC=CS2)OC 1 3.282 1 3 -5.975387886002 2989573 COC1=CC=CC=C1C2=CC(=NC(=N2)N3CCOCC3)C(F)(F)F 1 3.103 3 2 1.73516857613619 2989561 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)NC3CCCCC3 1 3.877 2 3 -10.8897048021444 2989538 C1C(=NN(C1(C(F)(F)F)O)C(=O)C(C2=CC=CC=C2)O)C3=CC=CC=C3 1 2.832 2 3 -1.84090276271321 2989515 CC1C(OC2=CC=CC=C2O1)C(=O)NC3=NC=CS3 1 1.762 2 3 0 -6.65576747043395 2989507 CN1C2=CC=CC=C2N(C1=O)CCC3=CC=CC=C3 1 3.009 2 1 -5.71471512126138 2989485 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3CCCCC3 1 3.175 2 5 0 -23.8863514545189 2989467 CN1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2Cl 1 1.575 2 2 0 -10.3919020705578 2989456 C1=CC(=CC(=C1)Cl)CNCC2=CC=C(C=C2)C(=O)O.Cl Cl- 1 0.54 1 2 0 1.42927709891811 2989437 CC1=CC=CC=C1OCC(=O)NCCNC(=O)C2=CC=CC=N2 1 1.494 3 3 0 -13.7829541085258 2989425 C1CCC(CC1)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.121 2 3 -10.5474094871868 2989403 CCN(CC)C(=O)N1CCC(CC1)C(=O)OCC 1 1.155 2 3 0 -11.9976497249184 2989398 CC(C)N(CC1=NC(=NO1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.84 3 3 -1.63384281450322 2989395 CC(=O)NCCC1=NC2=CC=CC=C2N1CCCCOC3=CC=CC=C3 1 3.394 3 2 -7.43235689861638 2989384 CN1C2=C(C(=O)NC1=O)N3CCCN(C3=N2)CCC4=CC(=C(C=C4)OC)OC 1 1.53 5 4 0 -10.4522497373483 2989383 C1CS(=O)(=O)CC1N(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)F 1 1.722 1 4 0 -13.5905206271875 2989379 C1CN(CCN1CC2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.46 3 3 -6.03522552210659 2989363 CC1=NN(C(C1)(C)C)C(C#N)C2=CC=CC=C2C 1 2.322 3 0 -3.84913297302718 2989360 C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C(=O)O 1 2.817 2 3 -2.49475386474995 2989351 CC1=NC2=CC=CC=C2N1CC(=O)NC3CCCC3 1 2.274 3 1 -7.55666953295179 2989350 COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCC(CC2)C(=O)N 1 2.473 3 4 0 -16.4808540011128 2989345 CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F 1 3.817 2 2 -12.6744641764262 2989336 CC1=CC=C(O1)C(=O)NCC(=O)NC2=CC(=CC=C2)OC 1 1.198 2 4 0 -9.36238617714684 2989330 COC1=CC2=C(C=C1)NC=C2CCNC(=O)CC3=C(C=CC=C3Cl)F 1 4.124 2 2 -12.2438996954705 2989327 CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC=CC=C2C(F)(F)F 1 1.704 2 3 0 -10.1502386194991 2989306 COC1=CC=CC=C1NC(=O)CNC(=O)C2=CC=C(O2)Br 1 1.621 2 4 0 -15.3439453350346 2989295 CC1=CC=CC=C1C(=O)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3 1 4.098 2 2 -12.5267089509425 2989285 CC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)F)F 1 3.511 1 1 -2.03849458202599 2989281 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CO3 1 1.494 2 6 0 -19.5965241669992 2989254 CCN(CC)C(=O)C1=C(C2=C3CCCCC3=C(N=C2S1)N4CCOCC4)N 1 3.298 4 2 -13.103316263628 2989253 COC1=CC=CC(=C1)C(=O)NCCCNC(=O)C2=CN=CC=C2 1 0.79 3 3 0 -10.9402648727156 2989247 CC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=C(C=C3)F 1 1.834 3 3 0 -25.5998899233871 2989242 CC(C)OC1=CC=C(C=C1)CNC(=O)OC2=CC=CC=C2 1 3.887 1 3 -6.3994534996664 2989238 CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.417 2 5 0 -19.1376729866264 2989229 COCCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)Cl 1 3.356 3 1 -8.48888955847505 2989226 C1=CC=C(C=C1)C(=O)NC(=O)NCC2=CC=CC=C2Cl 1 3.066 2 2 -9.315222324604 2989216 COC1=CC2=C(C=C1)C3=C(N2)C4(C5=CC=CC=C5NC4=O)NCC3 1 2.499 3 2 -7.09019400267884 2989208 CC(=O)NCCC1=NC2=CC=CC=C2N1CCOC3=CC=CC=C3 1 2.752 3 2 -8.85340313840409 2989189 C1CCC(CC1)N2CC(CC2=O)C(=O)N3CCC4=CC=CC=C43 1 2.448 2 2 -18.4157682483038 2989187 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C(=O)OCC 1 1.509 3 6 0 -17.9238175424267 2989174 CC(C1=NC2=CC=CC=C2N1CCC3=CC=CC=C3)NC=O 1 3.182 3 1 -6.57477091791039 2989172 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4F)C 1 3.486 3 4 0 -12.1814061134172 2989171 CN(C1=CC=C(C=C1)C(=O)N2CCCCC2)S(=O)(=O)C3=CC=CS3 1 2.641 2 3 -12.2522115656721 2989170 CNC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)NC3=CC=CC=C3 1 1.253 6 2 0 -12.4565071059278 2989168 CC1CCN(CC1)C(=O)CNC(=O)CNC(=O)CC2=CC=CC=C2 1 0.567 3 3 0 -18.3488162052295 2989143 C1CN(CCN1CC2=CC=CC=C2)C3CC(=O)NC3=O 1 0.774 3 2 0 -1.23153020341922 2989126 C1=CC=C(C(=C1)C(=O)NCCNC(=O)C2=CN=CC=C2)Br 1 1.492 3 2 0 -10.2173735099337 2989119 C1=CC=C(C(=C1)NC(=O)NC2=CC=CC=C2F)OC(F)F 1 3.533 2 2 -6.32138753385391 2989114 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C 1 3.774 3 3 -7.10888241932595 2989110 C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2CCCNC=O 1 3.267 3 1 -7.5304950664137 2989106 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CCCO3 1 1.982 2 5 0 -20.8004809336943 2989101 CC1=C(C=CN=C1)NC(=O)C2=CC=CS2 1 1.903 2 1 0 -8.22628601535285 2989094 CC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)NC3=CC=CC=C3 1 1.628 3 3 0 -26.4684210872257 2989088 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)CC3=C(C=CC=C3Cl)F 1 2.621 2 3 -16.0006494120268 2989080 COC(=O)C1=CC(=CC=C1)NC(=O)CN2CCC3=CC=CC=C3C2 1 2.47 2 3 -12.3007840234896 2989049 CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CS2 1 2.096 3 4 0 -31.8655447834706 2989041 C1CC(OC1)C(=O)NC2=C(C=C(C=C2)Cl)N3CCOCC3 1 1.797 2 3 0 -10.2056006429293 2989029 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3CCCO3)Cl 1 2.095 2 4 -24.8063169889792 2989021 CC1CCCCC1NS(=O)(=O)C2=CC(=C(C=C2)F)OC 1 3.107 1 3 -11.2474303835008 2989016 CC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3 1 2.339 4 1 -5.65899587598812 2989014 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC(=O)N2CCN(CC2)C)C3=CC(=C(C=C3)OC)Cl 1 2.864 3 5 0 -12.0775966889537 2989013 CCN1CCN(CC1)C2CC(=O)NC2=O 1 -0.461 3 2 0 -3.98955144919487 2988992 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OCC(=O)NC3=CC=CC=C3 1 2.97 2 4 -16.8356973209506 2988991 C1=CC=C2C(=C1)N=NN2CCOC3=CC=CC=C3Cl 1 3.937 3 1 -6.74322505470186 2988983 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3CCCCC3 1 2.96 2 3 -20.3087774155845 2988980 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3C=CC(=N3)C 1 1.79 3 3 0 -7.06762058440317 2988979 CCOC1=CC=CC=C1C2=NOC(=N2)CCCC(=O)NC3CCCCC3 1 3.551 3 3 -14.0893855621702 2988963 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC 1 2.038 3 6 0 -15.1210130710235 2988956 COC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3 1 2.322 2 4 -15.0521143331773 2988953 CCOC1=CC=CC=C1C2=NOC(=N2)CCC(=O)NC3CCCCC3 1 3.095 3 3 -15.1766859787743 2988951 C1CCCC(CC1)NC(=O)C(=O)NC2CC2 1 1.531 2 2 0 -7.94434927963877 2988947 CN(C1=CC=C(C=C1)C(=O)N2CCOCC2)S(=O)(=O)C3=CC=CS3 1 1.411 2 4 0 -13.8205080154477 2988923 CC1CCN(CC1)C(=O)CCC(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-] 1 2.129 3 4 0 -17.2748291009593 2988913 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)CS(=O)(=O)CC3=CC=CC=C3 1 3.529 1 3 -11.6590338188691 2988908 C1CN(CCN1C2CC(=O)N(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)F 1 2.857 3 2 4.53721730678637 2988903 COC1=CC=CC=C1C2=CC(=NC(=N2)N3CCCC3)C(F)(F)F 1 3.876 3 1 3.67872321301704 2988896 CC(C(=O)NCC1=CN=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 1.366 3 4 0 -18.9774180039091 2988869 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)OC 1 1.702 2 4 0 -11.897337357033 2988867 CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC(=CC=C3)Br)[O-] 1 2.727 2 3 -4.52892397129644 2988862 C1=CC(=CN=C1)C(=O)NCCCNC(=O)C2=CC=C(C=C2)Cl 1 1.471 3 2 0 -8.50482470279654 2988860 CC1CCCN(C1)C(=S)NC2=CC(=C(C(=C2)OC)OC)OC 1 4.235 2 3 -14.8705309620725 2988852 CC1=C(C=C(C=C1)C(=O)N2CCCC2)S(=O)(=O)N3CCOCC3 1 0.995 2 4 0 -19.9180845519274 2988848 CC1CC(CN(C1)S(=O)(=O)CC23CCC(C2(C)C)CC3=O)C 1 2.269 1 3 -5.05641745923343 2988836 COC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C 1 0.745 2 4 0 -10.3396440055138 2988835 CC(C)OCCCNC1=NC=C2C(=N1)CC(CC2=O)C3=CC=CS3 1 2.121 3 2 -19.3495280562423 2988833 C1CC(N(C1)C2=NC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)O 1 2.591 3 2 -2.91413654696161 2988832 CC1=C(C2=NC(=C(C(=O)N2N1)CC3=CC=CC=C3)C)C4=CC(=C(C=C4)OC)OC 1 3.209 3 3 -10.6476275816129 2988831 COC(=O)C1=CC=C(C=C1)CN(C2=CC=CC=C2Cl)S(=O)(=O)C 1 3.05 1 4 -11.5348122037271 2988830 CCN(CC(=O)NC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=CC=C3 1 1.7 2 5 0 -18.8598723659336 2988828 CCN1C2=C(N=C1OC3=CC(=CC=C3)Br)N(C(=O)N(C2=O)C)C 1 3.099 4 3 0 -8.95962681030912 2988823 CC1=CC(=CC=C1)CN2C3=CC=CC=C3N=C2CCNC(=O)C 1 3.189 3 1 -8.30071054647696 2988813 CN1CCN(CC1)CC2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)C 1 -7.e-003 6 3 0 -14.6588463531607 2988768 CCCCC1=NN=C(N1C)SCC(=O)NC2CCCCC2 1 3.241 4 1 -18.6386868579751 2988752 C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 2.403 2 3 -17.2729824196896 2988747 CCOC1=CC=CC=C1C(=O)N(CC2=C(C=CS2)C)C3CCS(=O)(=O)C3 1 2.893 1 4 -14.1558479846603 2988744 CC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CCCCC2)C(=O)N 1 2.556 2 3 -11.4430567034489 2988720 C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)NCC3=CC=CO3 1 1.371 2 4 0 -11.4321940881065 2988713 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3O)C(=O)C4=CC=CS4 1 4.613 2 2 -7.43995124924639 2988698 C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)F)F 1 2.933 2 1 -4.36967428997059 2988697 CC1=CC=C(C=C1)N2C(=NN=N2)COC3=C(C=C(C=C3)CO)OC 1 2.342 4 3 0 -12.4166935965853 2988690 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3 1 1.392 3 4 0 -22.3412766855653 2988687 CCOC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3CCCCC3 1 2.372 2 4 -15.4911614701246 2988681 COC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2Cl 1 1.945 1 4 0 -13.0462528450161 2988678 C1CC1C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CN=CC=C3 1 1.383 3 2 0 -3.9433900150459 2988676 CC(C)C1=CC(=C(C=C1)OC)S(=O)(=O)NCCCN2C=CN=C2 1 1.723 3 3 0 -4.74778678265954 2988641 CC1CCCCN1C(=O)C2=CC3=CC=CC=C3C=C2O 1 3.205 1 2 -3.4112414151955 2988623 CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl 1 2.831 4 3 0 -7.69097388417663 2988615 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCOC 1 0.108 5 3 0 -10.568581411036 2988603 CC1=CC(=CC=C1)OCC(=O)NCCCNC(=O)C2=CN=CC=C2 1 1.128 3 3 0 -13.3448965004564 2988593 CCOC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.691 3 5 0 -6.62163522614899 2988545 CC1=CC=CC=C1OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.998 2 4 -22.9205780682217 2988547 C1CCC(CC1)CCC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 2.88 2 3 -17.5196395427157 2988586 CC1=CC=C(O1)CCC(=O)NC2=CC=C(C=C2)CC(=O)O 1 1.889 1 4 0 -10.7803233544211 2988585 CCC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 3.301 3 4 0 -7.47243774404324 2988575 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CO3 1 1.859 2 5 0 -21.6787882482316 2988570 CC1=CC=C(C=C1)OCC(=O)NCCCNC(=O)C2=CN=CC=C2 1 1.128 3 3 0 -14.3393450630704 2988566 COC1=CC=C(C=C1)C(=O)NCCCNC(=O)C2=CC=CC=N2 1 1.218 3 3 0 -12.3384921264126 2988541 CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCOCC3 1 1.183 5 3 0 -16.8926692817072 2988537 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3 1 2.389 2 5 0 -18.8213027739004 2988535 C1=CC(=CN=C1)C(=O)NCCCNC(=O)COC2=CC=C(C=C2)Br 1 1.39 3 3 0 -13.974006117585 2988534 CC1=CC=C(O1)C2CC(=O)NC3=CC(=C(C=C23)OC)OC 1 1.856 1 4 0 -11.4951132404079 2988527 CC1=CC=C(C=C1)C(=O)CC(C(=O)OC)N2C=CC=N2 1 2.312 2 3 -7.20055388263282 2988523 CCOC1=C(C=CC(=C1)C2=NOC(=N2)CCC(=O)NC3CCCCC3)OC 1 3.078 3 4 0 -13.4547741416628 2988519 C1=CC=NC(=C1)C(=O)NCCCNC(=O)COC2=CC=C(C=C2)Cl 1 1.734 3 3 0 -13.0216395082769 2988518 CC(C(=O)NC1=CC=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 2.509 2 4 -15.4702031972075 2988513 CCN(CC(=O)N1CCCC1)S(=O)(=O)C2=CC=C(C=C2)Br 1 1.77 2 3 0 -13.7297091573405 2988504 CC1=CC=CC=C1C(=O)NCCNC(=O)C2=CC=CC=N2 1 1.658 3 2 0 -14.100894618046 2988502 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)NCC3=CC=CO3 1 2.128 2 3 -4.17132774995387 2988458 COC1=C(C=CC(=C1)CNCCC2=CC=CC=C2F)OCC(=O)N3CCCCC3.Cl Cl- 1 3.627 2 3 -11.7155087491188 2988457 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3)C 1 2.572 1 4 -18.1748830599389 2988456 COC1=CC(=CC(=C1OC)OC)NC(=O)CC2=CC=C(C=C2)F 1 2.805 1 4 -8.90993672300007 2988452 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC=C3 1 3.51 4 4 0 -9.51722455415813 2988434 CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCCO2 1 1.422 2 3 0 -22.3826539082157 2988430 CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3)N(C1=O)C 1 1.724 3 3 0 -12.5398668624883 2988391 CC(C1=NC(=O)C2=CC=CC=C2N1)SCC(=O)NC3=CC=CC=C3 1 2.431 3 2 -10.3631328343942 2988387 COC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3 1 2.329 2 4 -19.6550880612172 2988381 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CN=CC=C3 1 1.162 3 5 0 -19.9659268928659 2988378 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3 1 3.369 2 4 -13.7669117896732 2988368 CC1=CC(=NN1C(CC(=O)C2=CC=C(C=C2)Br)C(=O)OC)C 1 3.002 2 3 -7.45452006430172 2988361 C1=CC(=CN=C1)C(=O)NCCCNC(=O)COC2=CC=C(C=C2)Cl 1 1.306 3 3 0 -12.5173463724836 2988348 CC1=CC(=NO1)NC(=O)CCC2=CC=C(O2)C3=CC=CC=C3 1 3.027 2 3 -10.4680869443875 2988340 COCCNC(=O)C1CC(=O)N(C1)C2CCCCC2 1 0.46 2 3 0 -19.9587837178075 2988334 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CCCO3 1 1.318 2 5 0 -23.9510521194925 2988326 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F)Cl 1 3.321 3 3 -12.682407340898 2988316 C1COCCN1C(=O)C2=CC3=C(O2)C=CC(=C3)Br 1 2.275 1 3 -1.606504654957 2988303 CN1C2=C(C=C(C=C2)F)C3=C1N=C(N=N3)SCCN4CCCCC4 1 4.234 5 0 -4.99448852870277 2988300 C=CCOC1=C(C=C(C=C1)Br)CNCCO.Cl Cl- 1 2.177 1 2 -1.68252671450007 2988298 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3 1 2.678 2 4 -20.3401164784687 2988295 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.535 3 3 -9.68965860103441 2988286 CCN(CC(=O)N1CCOCC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.578 2 4 0 -12.6157759057702 2988277 COC1=CC=C(C=C1)C(=O)NCCNC(=O)C2=CC=CC=N2 1 1.156 3 3 0 -11.1862522986061 2988276 CNC(=O)C1=CC2=C(O1)C=CC3=CC=CC=C32 1 2.541 1 2 -2.23861013978281 2988272 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3CCCO3 1 1.453 2 5 0 -23.7120665958903 2988240 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2CCCC2 1 3.139 1 3 -7.65944412626601 2988234 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCCC3)Cl 1 2.238 2 4 -19.7678932558553 2988216 C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)Br 1 1.676 4 3 0 -14.2415399619455 2988208 CC1=C(C(=CC=C1)C(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 3.884 2 3 -14.4013041971954 2988205 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3CCCCC3 1 2.708 3 5 0 -24.0687335391642 2988193 C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3F 1 3.119 1 5 -5.98185479063904 2988175 CC1=C(C=CC(=C1)S(=O)(=O)NC(C)C(=O)NCC2=CC=NC=C2)OC 1 1.187 3 4 0 -14.543541713433 2988174 C1=CC(=CN=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)Br 1 2.807 2 2 0.577929195696719 2988158 C1=CC=NC(=C1)C(=O)NCCCNC(=O)C2=CC=C(C=C2)Br 1 1.983 3 2 0 -11.5601869717831 2988155 CC1=NN2C(=C(C=NC2=C1C3=CC(=C(C=C3)OC)OC)C#N)N 1 1.542 5 2 0 -8.80057376336497 2988154 C1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C(=O)NCC3=CC=CO3 1 2.856 2 4 -17.0486483561262 2988149 C1CC(OC1)CN(CC2=CC3=CC=CC=C3NC2=O)C(=O)C4=CC=CO4 1 1.964 2 4 0 -17.5126994957328 2988138 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=CC=C3 1 2.634 2 5 0 -18.515105672935 2988132 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.829 3 3 -8.54426497277967 2988125 CCN(CC(=O)N1CCN(CC1)C(=O)OCC)S(=O)(=O)C2=C(C=CC(=C2)C)OC 1 1.24 3 6 0 -13.5624899877128 2988097 CC1=CC(=CC=C1)OCC(=O)NCC2=NC(=NO2)C3=CC=CC=C3 1 2.526 3 3 -3.00578941684382 2988088 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC34CC5CC(C3)CC(C5)C4 1 2.925 3 4 0 -8.14298307870304 2988085 CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3 1 2.253 1 4 -16.8176806647906 2988072 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4 1 2.629 2 5 0 -14.8088416012219 2988062 C1=CC=C(C(=C1)NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)F 1 3.287 3 3 -5.22033112781499 2988057 CN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)N(C1=O)C 1 1.872 3 3 0 -12.8312303545765 2988028 CC1=CC(=C(C=C1)C)NC(=S)NC2=C(C=CC=N2)C 1 5.213 3 0 -4.04040054921387 2988026 C1COCCN1C2=CC=C(C=C2)NC3CC(=O)N(C3=O)CCC4=CC=CC=C4 1 2.512 3 3 -8.010980826659 2988004 COC(=O)C(CC(=O)C1=CC=C(C=C1)Br)N2C=CC=N2 1 2.574 2 3 -6.83521493714744 2987991 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3 1 1.607 3 4 0 -22.0231408786038 2987990 C=CCN1C2=C(C=C(C=C2)Cl)C3(C1=O)OCCCO3 1 2.069 1 3 -8.8724848785151 2987989 CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)OCC 1 1.248 6 4 0 -14.2829824416882 2987971 COC1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3 1 3.745 2 3 -14.2514904418095 2987970 COC1=CC(=C(C=C1NC(=O)C2CC(=O)NC3=C2C(=O)CCC3)OC)Cl 1 1.237 2 5 0 -21.9120381164486 2987956 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)NC2CCCCCC2 1 2.791 2 4 -12.5964557680086 2987955 CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=CO3)OCCO2 1 1.535 1 5 0 -10.4395092128714 2987949 CC1=CC=C(O1)C2CC(=NN2C(=O)C3=CC=CO3)C4=CC=CS4 1 3.198 2 3 -7.78777327344664 2987928 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=CC=C3 1 3.088 2 4 -20.4204564940574 2987913 CCN(CC(=O)N1CCOCC1)S(=O)(=O)C2=CC=CC=C2 1 0.249 2 4 0 -16.9138227060057 2987903 CCN1C2=C(C=C(C=C2)F)C3=C1N=C(N=N3)SCCN4CCCCC4 1 4.583 5 0 -3.11616036302936 2987901 COC1=CC(=CC(=C1)C(=O)NCCCNC(=O)C2=CN=CC=C2)OC 1 0.773 3 4 0 -13.1097838464989 2987883 COC1=C(C=C(C=C1)S(=O)(=O)NCC2CCCO2)NC(=O)C3=CC=CC=C3 1 1.868 2 5 0 -16.8678324170477 2987876 CC1=C(C=C(C=C1)OCC(=O)NCCCNC(=O)C2=CC=NC=C2)C 1 1.614 3 3 0 -13.3568140746909 2987853 CCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)O)[O-] 1 2.447 2 4 -3.01111823559307 2987851 CN1CCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC 1 3.356 4 2 5.98286264782186 2987849 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C3CCCCC3 1 3.681 2 2 -8.91585749564744 2987845 CC1CN(CC(O1)C)CC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C 1 2.193 5 3 0 -17.8471882590566 2987842 C1=CC=C2C(=C1)N=CN2C3=NC=C(C=C3)C(F)(F)F 1 3.458 3 0 4.31768314860706 2987830 C1=CC(=CN=C1)C(=O)NCCCNC(=O)CC2=CC=C(C=C2)Cl 1 1.505 3 2 0 -12.8272332404537 2987829 C1=CC=C(C(=C1)CNC(=O)C(=O)C2=CNC3=CC=CC=C32)Cl 1 3.465 2 2 -6.1151182988775 2987820 CC1CCCCN1C2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)NC(=O)N3C 1 3.142 5 2 0 -8.77627698507656 2987815 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C 1 3.074 2 5 0 -12.2915135943003 2987814 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)F 1 2.544 2 3 -10.2962999929392 2987801 C1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43 1 3.664 1 2 -0.655677490780039 2987799 CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2CCNC(=O)C 1 3.238 3 2 -8.19675612942289 2987777 CC1=NC(=CC=C1)NC(=S)NC2CCCCC2 1 4.041 3 0 -6.06487782722809 2987774 C1=CC=C(C(=C1)OCC(=O)NCCCNC(=O)C2=CC=CC=N2)Cl 1 1.734 3 3 0 -15.5921881900643 2987756 C1COCCN1CCCNC(=S)NC2=CC(=CC(=C2)F)F 1 2.812 3 1 -10.2272450442653 2987751 CC1=CC=C(O1)C2CC(=NN2C(=O)C)C3=CC=CS3 1 2.139 2 2 -7.61883940107025 2987746 CC1CCN(CC1)C(=O)NC(=O)C2=CC=CC=C2 1 2.193 2 2 -9.45611928477321 2987743 COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)CN3C4=CC=CC=C4N=C3C5=CC=CC=N5 1 4.421 6 2 0 -4.50254609347151 2987737 CC(C)N(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)COC3=CC=CC=C3 1 2.972 3 3 -4.00591083600104 2987724 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C3CCCO3 1 1.888 2 3 0 -17.0486194473469 2987723 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C 1 2.326 2 4 -2.88872885376691 2987697 C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 2.92 3 2 -14.3185902955399 2987685 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC=C)CC3=CC=CC=C3 1 2.977 4 2 -13.5703421143355 2987680 CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 2.218 2 4 -22.1355883122303 2987674 CCOC(=O)N1CCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C 1 1.976 4 2 0 -0.801801248448873 2987673 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CN=CC=C3)C 1 2.653 3 3 -16.1630889050385 2987671 CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC=CC=C2F 1 0.967 2 3 0 -10.5436040999481 2987661 CCOC1=CC=C(C=C1)NC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3 1 4.637 2 2 -3.27528128142912 2987636 CC1=CC(=CC=C1)NC(=O)N2CCCC2 1 2.099 2 1 -3.16046989911533 2987633 CCOC1=C(C=CC=C1OC)CNCC2=CC=C(C=C2)C(=O)O.Cl Cl- 1 0.192 1 4 0 -3.82520508302383 2987615 CC(C(=O)O)N(C1=C(C=CC(=C1)Cl)OC)S(=O)(=O)C 1 1.56 1 5 0 -6.26956224491901 2987614 CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)N3CCOCC3 1 3.335 2 2 -11.1577435119737 2987611 COC1=CC(=C(C=C1)C2CC3=NC(=NC=C3C(=O)C2)N4CCC5=CC=CC=C54)OC 1 3.545 3 3 -12.7659601673559 2987609 CCCCC1=NN=C(N1C)SC(C)C(=O)NC2=NC=CS2 1 2.441 5 1 -11.9691815834764 2987592 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3 1 3.359 1 4 -7.07034471125861 2987591 CCC1CCCCN1CC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C 1 3.568 5 2 0 -15.4576775540472 2987590 CCC12CN(CC(C1=O)(CN(C2)C(=O)C3=CC=CO3)CC)C(=O)C4=CC=CO4 1 2.248 2 5 0 -8.21557116714345 2987579 C1=CC=C(C=C1)S(=O)(=O)CC(=O)NCC2=CC=C(C=C2)Cl 1 2.663 1 3 -11.2830463068062 2987566 CC1=NN(C(C1)(C)C)C(C#N)C2=CC=C(C=C2)F 1 2.042 3 0 -1.44065392827176 2987558 CC1=CC=C(C=C1)S(=O)(=O)NCC2=NC(=NO2)C3=CC=CC=C3 1 2.394 3 3 0.50239353547041 2987557 CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)N(C)C)[N+](=O)[O-] 1 0.293 5 4 0 -18.377884739868 2987548 CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCCC3)[N+](=O)[O-] 1 3.326 3 4 0 -15.8930633326149 2987540 CC1=C(C=C(C=C1)C(=O)N2CCOCC2)S(=O)(=O)N3CCCCC3 1 1.452 2 4 0 -19.8826667944214 2987532 CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C 1 3 2 4 -19.2248024043044 2987521 CC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C3=CC=CC=C3 1 2.174 2 2 -21.1182927881577 2987517 COC1=C(C=CC(=C1)CC=C)OCCN2C3=CC=CC=C3N=N2 1 4.264 3 2 -13.3673853750598 2987515 CC1=CC=C(C=C1)C(=O)CC(C(=O)OC)N2C(=CC(=N2)C)C 1 2.74 2 3 -8.00815560412091 2987507 C1=CC=C2C(=C1)N=C(S2)NC(=O)C(=O)NCC3=CC=NC=C3 1 1.362 4 2 0 -6.60033421939589 2987495 CC(C)OC1=CC=C(C=C1)C(=O)NCCCNC(=O)C2=CN=CC=C2 1 1.516 3 3 0 -11.9409816825262 2987494 CCSC1=CC=CC=C1C(=O)NC2=CC(=C(C(=C2)OC)OC)OC 1 3.456 1 4 -13.8193745324929 2987492 C1CN(CCC12OCCO2)C(=O)NC3=CC=CC4=CC=CC=C43 1 2.125 2 3 -8.4323065329226 2987479 C1=CC=C(C(=C1)OCC(=O)NCCNC(=O)C2=CC=NC=C2)Cl 1 1.243 3 3 0 -12.5987992559068 2987477 COC1=CC(=CC(=C1OC)OC)NC(=S)NCC2=CN=CC=C2 1 2.895 3 3 -14.4518970412771 2987472 COC1=CC=C(C=C1)CNC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)Cl 1 3.139 2 5 0 -22.675524074151 2987469 CC1=NN(C(C1)C2=CC=CC=C2)C(C#N)C3=CC=C(C=C3)F 1 3.071 3 0 1.46928925586181 2987462 C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F 1 1.134 4 3 0 -13.8950018819657 2987452 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3 1 3.571 2 3 -3.01175748645202 2987441 COCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3CCCCC3 1 0.639 4 3 0 -15.9819169372774 2987440 C1CC1C2=NC3=CC=CC=C3N2CCC4=CC=CC=C4 1 4.474 2 0 -4.46168817047362 2987428 CS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC=CC=N2 1 -0.167 3 3 0 -19.3836418098456 2987419 C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4 1 2.851 2 4 -13.8226640455637 2987393 CC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(O2)C)Br 1 3.459 1 2 -8.27952112486586 2987387 CC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=NC=CS3 1 2.069 4 1 -1.98304206685239 2987385 CCOC(=O)C(=O)NC1=CC=CC=C1C(=O)NCC2=CC=CC=C2 1 2.092 2 4 -13.5823437957042 2987379 CCC(CO)NCC1=CC(=C(C=C1)OCC(C2=CC=CC=C2)O)OC.Cl Cl- 1 2.769 1 4 -5.76400116492164 2987378 COC(=O)C1=C(SC2=C1CCC2)NC(=O)CC3C(=O)NC4=CC=CC=C4N3 1 2.034 3 4 0 -27.1304305419757 2987368 CC1=CC(=NC(=N1)N2C(=O)CC(=N2)C3=CC=C(C=C3)OC)C 1 2.088 4 2 -2.70214548882431 2987366 C1=COC(=C1)CNC(=O)C2=CC3=C(O2)C=CC(=C3)Br 1 3.146 1 3 -4.58708620617819 2987363 CS(=O)(=O)C1=NC(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)F 1 3.621 2 2 0.532995442247373 2987351 COC1=C(C(=CC=C1)OC)C(=O)NCCSC2CCCCC2 1 3.477 1 3 -10.0794123115971 2987342 CC(C)(C)C(=O)NC(=S)NNC(=O)C1=CC=NC=C1 1 1.405 4 2 0 -13.3152732464007 2987340 CCN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 2.603 3 3 -12.3026136212117 2987329 CCN(CC)C(=O)N1CCC2=CC=CC=C21 1 2.13 2 1 -11.2157970136856 2987322 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC(=CC=C2)F 1 2.77 1 4 -8.38097038159686 2987300 CC(=C)CN1C(=CC(=O)N=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)N 1 3.082 4 2 -14.8249512975914 2987290 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(C)CC3=CC=CC=C3)CCOC 1 1.619 5 3 0 -14.3544506230143 2987288 C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=O)N(C=N4)C5=CC=CC=C5)N6CCOCC6 1 4.636 4 2 -10.7794134967008 2987279 C1=CC=C(C=C1)C(=O)NC(=O)NC2=NC=C(C=C2)Cl 1 2.447 3 2 -2.16074060935656 2987274 C1CCC(CC1)N2CC(CC2=O)C(=O)NCC3=CC=CC=C3 1 2.174 2 2 -16.633246425807 2987266 CCC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.307 3 4 0 -8.45930131700524 2987246 CCOC(=O)C1=C(N=C(S1)NC(=O)CC(C)C2=CC=CC=C2)C 1 3.132 2 3 -12.418956260259 2987240 C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CS(=O)(=O)C3=CC=CC=C3 1 2.426 3 3 -17.066516002012 2987235 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)NC(=O)C3=CC=CC=C3 1 2.428 3 4 0 -17.2399618707343 2987230 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl 1 2.984 4 2 -6.51178452332447 2987227 CC1=CC2=C(C=C1)NC(=O)C23OCCCO3 1 1.068 1 3 0 -8.10944482757721 2987223 CCOC(=O)N1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)C 1 1.21 3 4 0 -11.3244029018161 2987214 CC1=CC(=NO1)NC(=O)CCSC2=CC=C(C=C2)Cl 1 3.059 2 2 -11.8703894869536 2987207 CC1=CC=C(C=C1)OCC(=O)NCCCNC(=O)C2=CC=NC=C2 1 1.128 3 3 0 -13.1709020895252 2987202 CC(=O)NC1=CC=CC(=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3 1 3.531 2 2 -10.6963689331801 2987197 CC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC=N3)NC(=S)NC(=O)C(C)C 1 4.213 4 2 -5.38572607327574 2987188 CC1=CC=C(C=C1)CSCC(=O)NCCCN2CCOCC2 1 1.813 2 2 0 -15.3684357251094 2987181 CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCC3=CC=CC=C3C2 1 2.948 2 3 -16.2433307868959 2987173 CC1=C(C=C(C=C1)C2=CC=C(O2)CO)N 1 1.956 1 2 0 7.69155146510243 2987160 CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.506 3 4 0 -14.736959141361 2987144 C1CCN(C1)S(=O)(=O)CC2=CC=CC=C2Cl 1 2.079 1 2 -10.6105671127415 2987140 C1=COC(=C1)C(=O)NCC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 2.264 3 3 -0.140781700366882 2987124 C1=CC=C(C(=C1)CS(=O)(=O)NCCC2=CC=C(C=C2)F)Cl 1 3.522 1 2 -1.68429523388982 2987117 COC1=CC(=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)OC 1 2.306 2 5 0 -15.9206648927907 2987115 C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2CNC=O 1 2.697 3 1 -3.7205964035772 2987107 CC1=CC=C(C=C1)OCC(=O)NCCCNC(=O)C2=CC=CC=N2 1 1.556 3 3 0 -14.8436381988638 2987097 CC1=C(C2=NSN=C2C=C1)NC(=O)COC3=CC=C(C=C3)OC 1 3.047 3 3 -5.67779011436007 2987083 COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NCC3=CC=C(C=C3)F 1 2.84 1 4 -11.606016197779 2987081 CCN1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl 1 2.537 3 4 0 -5.6721977946185 2987080 C1=CC=C(C(=C1)C2=NN(N=N2)C3=CC=C(C=C3)F)Br 1 4.035 4 0 3.23011161162705 2987071 CCN(CC(=O)NCC1=CC=CC=N1)S(=O)(=O)C2=CC=C(C=C2)OC 1 0.987 3 4 0 -21.4436186231418 2987069 CCOC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3CCCO3)OC 1 1.579 3 5 0 -20.2257483235946 2987059 CS(=O)(=O)N1CCCC(C1)C(=O)NC2=C(C=C(C=C2)Br)F 1 1.716 2 3 0 -7.64657935730306 2987051 C1CN(CCC12OCCO2)C(=O)NC3=CC=CC=C3 1 1.217 2 3 0 -7.83825841877114 2987046 CC1=CC(=C(C=C1)NS(=O)(=O)N2CCOCC2)C 1 0.992 2 3 0 -5.12230332302503 2987038 C1CN(CCN1CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC=C(O3)Br 1 1.807 3 3 0 -8.90005327362241 2987036 CC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=C(O2)C 1 1.701 2 3 0 -9.49442195702417 2987008 C1CCC(C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)Br 1 3.783 1 2 -1.42055281047264 2987003 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC3CCCCC3 1 2 2 3 0 -17.6745250273406 2986988 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3 1 2.671 2 4 -12.4297452920342 2986968 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC3=CC4=CC=CC=C4NC3=O 1 2.678 2 4 -13.6427921986819 2986960 C1COCCN1NS(=O)(=O)C2=CC(=CC(=C2O)Cl)Cl 1 1.229 2 4 0 -1.99885079222226 2986914 CC(C(=O)NCC1=CC=CC=N1)NS(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 1.581 3 4 0 -18.6592821969475 2986905 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C3=CC4=C(C=C3)OCO4 1 3.391 3 4 0 -2.96181013335965 2986896 C1C(=O)C(=C(N1NC(=O)C2=CC=CC=C2)N)C3=CC=CC=C3 1 1.427 3 2 0 -9.26228191657698 2986895 C1=CC=NC(=C1)C(=O)NCCCNC(=O)C2=CC=C(C=C2)F 1 1.44 3 2 0 -11.2136488918032 2986886 CC1=C(SC=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.455 2 5 0 -14.1108184726356 2986872 CCOC(=O)C1=C(C2=C3CC(OCC3=C(N=C2S1)N4CCOCC4)C(C)C)N 1 2.977 3 4 0 -10.0695301155527 2986868 C1CCC2=C(C1)N=C(S2)NC(=O)C3COC4=CC=CC=C4O3 1 2.775 2 3 -6.1354801357972 2986855 CCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=N2)C 1 2.073 3 2 -6.74171897468096 2986848 CCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CS3 1 2.621 1 4 -14.8901516278186 2986838 COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C)Cl 1 1.41 2 4 0 -10.761492653786 2986825 COC1=CC=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C 1 0.745 2 4 0 -9.98293861082617 2986819 COC1=CC=CC=C1NC(=O)COC2=CC3=C(C=C2)OCO3 1 2.201 1 5 -10.3577867879539 2986818 C1COCCN1CCCNC(=O)CSCC2=CC=CC=C2 1 1.327 2 2 0 -16.183250629889 2986816 COC1=CC2=C(C=C1)NC=C2CCNS(=O)(=O)CC3=CC=CC=C3 1 2.929 2 3 -8.65427692192213 2986815 CC(C)CCNC1=NN=NC2=C1SC3=NC(=C4CSC(CC4=C23)(C)C)N5CCOCC5 1 3.985 6 1 0 -15.3052554319738 2986812 C1=COC(=C1)CNC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 3.386 3 2 4.55844003499466 2986811 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)N3CCCC4=CC=CC=C43 1 3.676 2 2 -2.78399751326268 2986801 CC1=C([N+](=O)C(=C(N1[O-])C)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F 1 2.581 2 2 1.29026730206909 2986793 CCOC1=CC=C(C=C1)CN2CCNC(=O)C2CC(=O)OC 1 1.205 2 4 0 -28.3033198748342 2986788 CC(C)CC(=O)N(CC1=CC=C(C=C1)F)C2CCS(=O)(=O)C2 1 2.251 1 3 -13.9408967596035 2986784 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C)C)C 1 3.147 3 3 -7.21690548262034 2986783 CC1=CC=CC=C1OCC(=O)NCCNC(=O)C2=CN=CC=C2 1 1.065 3 3 0 -13.2076422022449 2986780 CC1=CC=CC=C1OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O 1 3.474 3 4 0 -5.90639309957902 2986747 C1COC2=C(O1)C=C(C(=C2)Cl)C3=CSC(=N3)N 1 2.477 2 2 6.67927657060173 2986739 C1COC2=C(O1)C=CC(=C2)NC(=O)COC3=CC=CC=C3F 1 2.441 1 4 -9.02212861764653 2986734 CCOCCN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C 1 1.625 6 3 0 -7.9519467079206 2986711 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CC=CC=C3 1 1.672 3 4 0 -19.8473229377056 2986704 C1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)Br 1 3.504 1 2 -3.82082051814139e-002 2986689 C=CCC1=CC=CC=C1OCCN2C3=CC=CC=C3N=N2 1 4.28 3 1 -10.7572076933721 2986679 CC1=CSC(=N1)SCCN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C 1 0.936 6 3 0 -14.616492996018 2986668 CCN1CCN(CC1)C(=O)CN(CC)S(=O)(=O)C2=CC=C(C=C2)F 1 1.073 3 3 0 -12.3689598169036 2986667 C1=CC=C(C=C1)C(=O)NCCNC(=O)C2=CC=CC=N2 1 1.172 3 2 0 -11.7373466539837 2986665 CCOC1=CC=CC=C1C2=NOC(=N2)CCC(=O)NC3=CN=CC=C3 1 1.662 4 3 0 -12.5544900173753 2986661 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 2.204 2 3 -11.681024988387 2986658 CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NCCCN2C=CN=C2 1 2.182 3 2 -0.903085207727248 2986656 CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CO3)C(=O)OC4CCCC4 1 3.818 1 4 -15.2121518432406 2986639 C1CN(CCN1CCC(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 -1.493 2 4 0 -16.0816753658958 2986628 CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)F 1 2.348 3 4 0 -30.6332313868584 2986626 CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=O)C3=CC=CC=C3Cl 1 4.597 2 2 -11.0136619806937 2986623 C1CC(OC1)CN(CC2=CC3=CC=CC=C3NC2=O)C(=O)C4=CC=CS4 1 2.522 2 3 -20.2388129196422 2986614 C1CCC(CC1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.426 3 2 -11.0360593419468 2986611 CC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CS3 1 2.774 1 3 -13.7109622669665 2986606 C1CN(CCN1C2=CC=CC=N2)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl 1 1.937 4 3 0 -6.70991368270961 2986592 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2 1 2.711 2 4 -11.0897446535246 2986591 CC1=CC=CC2=C1N(C(=O)C23OCCCO3)CC=C 1 1.89 1 3 0 -10.3542719107035 2986589 CC1=CC=CC(=C1)C2=NOC(=N2)CNS(=O)(=O)C3=CC=CC=C3 1 2.394 3 3 3.08838713247034 2986547 CC1CCCC1OC(=O)C2=C(C3=C(N2)CC(C(C3=O)C(=O)OC)C)C 1 3.752 1 5 -10.4531617255291 2986544 COC1=C(C=C(C=C1)Cl)NC(=O)C2CC(=O)N(C2)C3CCCCC3 1 2.815 2 3 -8.3094856455147 2986542 CCCCC1=NN=C(N1C)SCC(=O)NC2=NC=CS2 1 1.957 5 1 0 -17.0246937653979 2986538 CCN1C=C(C(=N1)C)CN2C(CC(=N2)C)C3=CC=CC=C3 1 2.281 4 0 -0.784018158837456 2986533 COC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=CN=CC=C2)Br 1 1.538 3 3 0 -11.1910714958363 2986527 CS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 1.685 3 3 0 -7.06414794948902 2986526 CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=CC=C2OC)Cl 1 2.308 3 4 0 -16.0730460352766 2986519 COC1=CC=CC(=C1)C2=NOC(=N2)C3=CC=C(O3)Br 1 3.091 2 3 7.11631522396278 2986509 C1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C(=O)N3CCOCC3 1 1.984 2 4 0 -15.0212905424052 2986507 C1CC(OC1)CNC(=O)C2=CC(=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 2.851 2 5 0 -11.2406636730517 2986506 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCOCC3)Cl 1 1.174 2 4 0 -19.0938926656072 2986498 COC1=CC(=CC(=C1)C(=O)NCCCNC(=O)C2=CC=CC=N2)OC 1 1.202 3 4 0 -14.708486370384 2986497 CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)NC3CC3 1 1.852 2 2 0 -1.44939959043053 2986492 CC1=NON=C1NC(=O)CSC2=CC=CC=N2 1 1.022 4 2 0 -14.0110854060603 2986471 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3 1 1.702 3 3 0 -14.0853849894092 2986465 CCC1=CC=C(C=C1)NC2=NC=C3C(=N2)CC(CC3=O)C 1 3.207 3 1 -8.35687721826071 2986464 CSC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C 1 1.304 2 3 0 -14.9215398345252 2986460 CC1=CC=C(S1)S(=O)(=O)N2CCCCC2C(=O)O 1 1.413 1 4 0 -9.41853057340959 2986455 C1=CC(=CN=C1)C(=O)NCCNC(=O)C2=CC=C(O2)Br 1 0.707 3 3 0 -11.3989653631879 2986453 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=N3 1 1.742 3 4 0 -21.7300551671368 2986452 CC1=CC=C(C=C1)C2CC(=NN2S(=O)(=O)C)C3=CC=CO3 1 2.423 2 3 -1.31888857344271 2986450 CCOC1=C(C(=CC(=C1)CNCC(C2=CC=CC=C2)O)Cl)OC.Cl Cl- 1 3.42 1 3 -3.19754700829835 2986433 COC1=CC(=C(C=C1)OC)NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=CC=C3 1 1.109 3 5 0 -29.7687249418758 2986428 CC(C)CNC1=NC=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)N5CCOCC5 1 3.507 5 2 0 -14.2592305321468 2986423 COC1=CC=CC(=C1)C2=NOC(=N2)C3=CC4=C(C=C3)OCO4 1 2.896 2 4 8.08690191511881 2986422 CC1CCCN(C1)CC(=O)NC2=C(C3=NSN=C3C=C2)C 1 2.807 4 1 -4.50986838199892 2986418 CC1=CC(=NO1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 2.452 3 4 0 -26.3668968915111 2986413 CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C 1 2.911 1 5 -4.4372269327529 2986380 CCN1C2=C(N=C1OC3=CC=CC=C3C)N(C(=O)N(C2=O)C)C 1 2.837 4 3 0 -10.2646843435918 2986376 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC(=CC(=C3)F)F 1 3.009 3 2 -23.0807355657542 2986363 C1=CC(=CC=C1S(=O)(=O)NCCC(=O)NC2=CC=NC=C2)Cl 1 1.139 3 3 0 -9.26550319503012 2986355 C1=CC=C(C(=C1)CNCC2=CC=C(C=C2)C(=O)O)F.Cl Cl- 1 8.1e-002 1 2 0 -0.724827651059955 2986350 COC1=CC=C(C=C1)NC(=O)NCCN2CCN(CC2)C3=CC=C(C=C3)C(=O)OC 1 2.553 4 4 0 -6.04743531235602 2986335 CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3 1 3.52 3 2 3.33734356453414 2986329 CCOC1=CC=C(C=C1)CN2CCNC(=O)C2CC(=O)O 1 -2.056 2 4 0 -26.4738341208062 2986327 CC1CCN(CC1)C(=O)CNC(=O)CNS(=O)(=O)C2=CC=CC=C2 1 0.235 3 4 0 -20.6176723138825 2986324 C1CN(CC2=CC=CC=C21)CC(=O)NC3=CC=CC=C3F 1 2.82 2 1 -9.72540555313408 2986321 CC1=CC=C(C=C1)C2=CC(=NC(=N2)NCC3=CC=CS3)C(F)F 1 4.547 3 0 1.61694384039684 2986316 C1=CC2=C(N=C1)N=C(O2)C3=C(C=C(C=C3)N)Cl 1 2.243 3 1 9.57675890891637 2986306 C1=CC=NC(=C1)C(=O)NCCNC(=O)C2=CC=C(C=C2)F 1 1.378 3 2 0 -10.0614090639967 2986305 CC1=CC(=NC2=C1C(=C(S2)C(=O)C)N)C3=CC=CC=C3 1 3.458 2 1 -0.377874156819637 2986299 C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl 1 2.846 2 3 -14.7631981090456 2986294 CCC(=O)NC1=CC=C(C=C1)C(=O)NCCCN2C=CN=C2 1 0.629 4 2 0 -9.45154618348151 2986283 COC1=CC=CC=C1OCCN2C3=CC=CC=C3N=N2 1 3.256 3 2 -10.0466933538308 2986276 C1CCC(CC1)CNC(=O)C2=CC=C(O2)Br 1 3.19 1 2 -8.24711672027147 2986263 CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.144 3 2 -7.58542290154912 2986258 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O 1 2.572 2 4 -4.04643451775419 2986253 CC1=CC=CC(=C1)C(=O)NCCCNC(=O)C2=CC=CC=N2 1 1.721 3 2 0 -11.8450692695353 2986249 COC1=CC(=CC(=C1OC)OC)NC(=S)NCCN2CCOCC2 1 2.289 3 4 0 -15.5326269406195 2986242 CC1=CC=CC(=C1)C(=O)N(CC2=CC=C(O2)C)C3CCS(=O)(=O)C3 1 2.148 1 4 -11.4826011497894 2986189 CCN(CC(=O)N1CCCC1)S(=O)(=O)C2=C(C=CC(=C2)C)OC 1 1.492 2 4 0 -13.2164342967384 2986193 CC1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl Cl- 1 2.945 3 2 -1.58448378937137 2986220 COC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C 1 1.073 2 4 0 -17.8491077012408 2986205 CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)F 1 3.483 2 1 0.390343607161056 2986204 CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC 1 3.917 2 3 -13.074389850831 2986164 CCCCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=O)C(C)C 1 4.399 2 2 -16.3906563325952 2986162 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC(C2)C(=O)N3CCOCC3)C 1 2.114 2 4 -13.8417622824688 2986153 CC(C)(C)OC(=O)N1CCNC(=O)C1CC(=O)OC 1 0.123 2 5 0 -27.1252661643429 2986144 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)Cl 1 1.563 3 4 0 -22.5684161401609 2986142 CCCN1C2=C(C=C(C=C2)F)C3=C1N=C(N=N3)SCCN4CCOCC4 1 3.877 5 1 -7.00520516107308 2986135 COC1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2 1 2.513 2 2 -5.06266776815454 2986126 C1=CC=C(C(=C1)CNCC2=CC=C(C=C2)C(=O)O)Cl.Cl Cl- 1 0.54 1 2 0 -0.651489332160901 2986125 CCCCC1=NC(=NN1)SCC(=O)NC2=NN=C(S2)C(C)C 1 2.993 6 1 0 -16.2161094893734 2986115 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=C3 1 3.179 2 4 -17.0430077296687 2986111 CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC)N(C1=O)C 1 1.708 3 4 0 -12.6098756308632 2986096 COC1=CC2=C(C=C1)NC=C2CCNC(=O)CC3=CC=C(C=C3)Br 1 4.003 2 2 -9.61574420465096 2986095 C1CCC(CC1)NC(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 2.62 2 2 -11.0214199199538 2986092 CC1=CC(=C(C=C1S(=O)(=O)NCCCN2C=CN=C2)Cl)Cl 1 2.36 3 2 -1.80694446461765 2986086 CC1=NON=C1NC(=O)CSC2=NN=C(S2)C 1 0.368 5 2 0 -20.9648086300499 2986083 CCCCNC(=O)C1=CC=CC=C1NC(=O)CCC 1 2.61 2 2 -19.8976900235368 2986076 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)NNC(=O)C3=CC=CC=N3 1 1.268 4 3 0 -8.4228561461293 2986072 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=C(C=C4)F 1 1.596 4 4 0 -16.7608317781922 2986068 CC(C(=O)NC1=CC=CC=C1)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C 1 2.731 2 3 -6.2720594658576 2986067 COC1=CC=CC(=C1OC)CNCC2=CC=C(C=C2)C(=O)O.Cl Cl- 1 -0.157 1 4 0 -1.46868536770918 2986062 C1CCC(C1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 1.711 2 2 0 -9.78846319892466 2986060 CC1=C(C2=CC=CC=C2N1)C(=O)COC3=CC=CC=C3F 1 3.713 1 2 0.325010646820745 2986045 CC1=C(C=C(C=C1)OCCN2C3=CC=CC=C3N=N2)C 1 4.245 3 1 -6.44214807254915 2986043 CC1=CC2=C(C=C1)NC=C2CCNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 2.545 3 3 -8.85982912957174 2986011 C1C(N(N=C1C2=CC=CS2)C(=O)C3=CC=CO3)C4=CC=CC=C4O 1 3.522 2 3 -2.94287673101219 2986009 COC1=CC=CC=C1C2=CC(=NC(=N2)NCC3=CC=CS3)C(F)(F)F 1 4.533 3 1 -0.704546026485778 2985994 CCNCC1=CC=CC=C1OCC2=CC=CC=C2.Cl Cl- 1 3.283 1 1 -0.444792236856175 2985989 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 2.103 2 3 -18.8974196193632 2985988 CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)OC 1 2.708 2 4 -15.7963388930624 2985982 COCCSC1=NN=C(S1)NC(=O)CS(=O)(=O)C2=CC=CC=C2 1 1.418 3 4 0 -20.9125878400394 2985971 COC1=CC=CC(=C1)N2C=NC3=C(C2=O)SC4=NC(=C5CCCCC5=C34)N6CCOCC6 1 4.62 4 3 0 -10.9459290253289 2985947 C1CCC(CC1)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.995 2 4 -3.60871391480902 2985943 CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.177 3 5 0 -18.9713895458681 2985941 CCN(CC(=O)N1CCCC1)S(=O)(=O)C2=CC=C(C=C2)F 1 1.228 2 3 0 -13.3831710773606 2985929 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)CC3=CC=CC=C3Cl 1 1.894 2 4 0 -15.7893481793773 2985919 CCN(CC(=O)N1CCCC1)S(=O)(=O)C2=CC=CC=C2 1 1.022 2 3 0 -14.991057742062 2985915 CCN(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.102 3 3 -11.8055899181029 2985907 CCNC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)NC3=CC=CC=C3 1 1.601 6 2 0 -11.8035951506396 2985906 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)Cl 1 1.106 3 4 0 -22.2139476259928 2985891 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3 1 2.823 2 4 -21.635914744017 2985887 CN1C(=NN=N1)NCC2=CC(=C(C=C2)OCC3=C(C=C(C=C3)F)Cl)OC 1 3.022 5 2 0 -14.7877698443555 2985881 CC(C)NCC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC3=CC=CC=C32)OC 1 3.606 2 3 -11.1390225614362 2985872 C1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C(=O)NCC3=CC=NC=C3 1 2.523 3 3 -15.4191661323597 2985869 C1CCCN(CC1)S(=O)(=O)N2CCNCC2.Cl Cl- 1 -0.244 3 2 0 -11.669864579231 2985868 C1CCC(C1)(CNC(=O)C2=CC=CC=C2N)C3=CC=CC=C3 1 3.33 2 1 -16.1793920242789 2985849 CC1=CC=C(C=C1)SCC2=NN(C(=O)C2)C3=NC(=CC(=N3)C)C 1 2.974 4 1 -3.22960728396343 2985847 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3)Cl 1 3.185 2 3 -19.9496193587841 2985825 C1CCC(CC1)NC(=O)CNC(=O)C2=CC=C(O2)Br 1 1.919 2 3 0 -13.9733910200599 2985823 CC1=C(C=C(C=C1)NS(=O)(=O)N2CCOCC2)Cl 1 1.17 2 3 0 -2.49417917408195 2985820 C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3 1 1.215 3 3 0 -14.8810325569186 2985809 C1CCN(C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 2.757 2 3 -13.1526257663263 2985803 CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCOC)S(=O)(=O)C3=CC=CC=C3 1 2.268 2 4 -11.6604046337798 2985800 COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.374 4 5 0 -19.6666729272757 2985789 CCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC(=C4)C)N(C(=O)NC2=O)C 1 2.677 6 2 0 -0.330941686886958 2985787 C1=CC(=CN=C1)C(=O)NCCNC(=O)C2=CC=C(C=C2)Br 1 1.492 3 2 0 -8.80924462009147 2985771 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C(=O)NC3CCCCC3 1 2.456 3 3 -20.0360121855359 2985770 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl 1 3.483 3 3 -14.0470969298243 2985769 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=CC=C3 1 3.314 2 4 -16.7499220182017 2985765 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CS3 1 2.912 2 1 -4.77192169015376 2985762 CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 3.933 2 2 -13.7501026712445 2985759 COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2 1 1.927 1 4 0 -16.3938307173668 2985758 CCN(CC(=O)NC1CC1)S(=O)(=O)C2=CC=CC=C2 1 0.845 2 3 0 -18.9916651632426 2985747 CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3CCCO3 1 2.622 3 4 0 -13.2795261129153 2985717 COC1=CC=CC=C1C(=O)NCCCNC(=O)C2=CC=CC=N2 1 1.218 3 3 0 -14.3844433207591 2985716 CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)CC34CCC(C3(C)C)CC4=O 1 3.315 2 3 -3.15665814801629 2985711 C1CC1C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC=NC=C3 1 1.383 3 2 0 -1.61069350399178 2985705 CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C 1 2.363 4 4 0 -14.1996947134326 2985700 C1=CC=C(C=C1)C2=NOC(=N2)CNC(=O)COC3=CC=CC=C3Cl 1 2.704 3 3 -4.74878797065837 2985679 CCOC1=CC=CC=C1CNCC2=CC=C(C=C2)C(=O)O.Cl Cl- 1 0.208 1 3 0 -2.35233054147025 2985638 C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3Cl 1 4.066 2 2 -11.0768203795247 2985637 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCCO5 1 3.93 3 4 0 -10.482330786655 2985627 CC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3 1 1.702 3 3 0 -13.5796123786763 2985625 C1COCCN1C(=O)C2=CC(=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 2.386 2 5 0 -5.8497106947765 2985621 C1COCCN1C(=O)COC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.197 2 5 0 -5.86727446674193 2985617 CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2Cl 1 2.807 3 4 0 -31.2572118855871 2985610 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(S2)C3=CC=NC=C3 1 2.223 4 3 0 -14.5581493671914 2985606 CC1=CC2=C(C=C1)NC=C2CCNC(=O)C3CCCO3 1 2.391 2 2 -15.9761488293677 2985603 C1CCC(CC1)C(=O)NC2=C(C=C(C=C2)Cl)N3CCOCC3 1 3.591 2 2 1.40528434112101 2985596 CCN1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2Cl 1 1.924 2 2 0 -11.9985579740086 2985590 CC(C1=CC=C(C=C1)F)N2C(=NNC2=S)C3=CC=CS3 1 4.221 3 0 -4.9034496864639 2985585 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3 1 0.912 4 4 0 -15.0198451165751 2985562 CC1=CC=CC(=C1)C(=O)NCCCNC(=O)C2=CN=CC=C2 1 1.292 3 2 0 -9.80161583905249 2985558 CCN(CC(=O)NC1CCCC1)S(=O)(=O)C2=CC=C(C=C2)F 1 1.963 2 3 0 -16.870172318374 2985548 CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NCCO 1 0.523 3 3 0 -19.0052203764442 2985537 CCN(CC1=CC=CC=C1)C(=O)C2=CC3=CC=CC=C3OC2=O 1 3.206 1 3 -13.6894010649602 2985532 C1=CC=C(C=C1)C(=O)NC(=O)NC2=CC=CC=N2 1 1.783 3 2 0 -3.67296575748132 2985531 C1CCN(C1)C(=O)C2=CC3=C(O2)C=CC(=C3)Br 1 3.048 1 2 0.316260308986666 2985530 CC1=CC(=C(C=C1S(=O)(=O)NCCCN2C=CN=C2)C)OC 1 1.501 3 3 0 -1.25819454458997 2985510 C1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C(=O)NCC3CCCO3 1 2.449 2 4 -19.081926703785 2985508 CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)N3CCCCC3 1 2.297 3 4 0 -10.0328473624307 2985490 CCOCC(=O)NC1=CC=CC=C1C(=O)N2CCOCC2 1 0.137 2 4 0 -15.6638294176652 2985480 CC1=CC=CC(=C1)C2=NOC(=N2)CNC(=O)C3=CC4=C(C=C3)OCO4 1 2.459 3 4 0 -1.47821348222396 2985467 C1CCCN(CC1)C(=O)NC2=CC=C(C=C2)Br 1 3.274 2 1 -5.03724502112716 2985457 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3 1 1.724 2 5 0 -21.9718739596986 2985456 C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)Br 1 1.964 3 3 0 -13.3155929384116 2985439 C1CCC(CC1)N2CC(CC2=O)C(=O)NCCC3=CC=CC=C3 1 2.496 2 2 -16.8904997015058 2985430 C1=CC=C(C(=C1)OCC(=O)NCCNC(=O)C2=CN=CC=C2)Cl 1 1.243 3 3 0 -13.8646364559768 2985424 CC1CCN(CC1)CC(COC2=CC=CC=C2C)O.Cl Cl- 1 3.096 1 2 -6.4192784112213 2985405 C1=CC=NC(=C1)C(=O)NCCCNC(=O)C2=CC(=CC=C2)F 1 1.44 3 2 0 -11.1983870305039 2985399 CCOC(=O)CC(=O)COC1=NC2=C(O1)N=C3CCCCC3=C2 1 2.416 2 5 0 -6.47926293199033 2985385 C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=NC(=NO3)C4=CC=C(C=C4)Cl 1 2.637 3 4 0 -2.62125793386117 2985377 CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2Cl)OC 1 2.086 2 4 -8.84398822260373 2985370 CC(C)OC1=CC=C(C=C1)C(=O)NCCCNC(=O)C2=CC=CC=N2 1 1.945 3 3 0 -13.5396842064113 2985365 C1CC(OC1)CNC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3 1 3.585 3 1 -7.10263578194917e-003 2985363 C1CC1C(=O)NC2=C(C=C(C=C2)Cl)N3CCOCC3 1 2.222 2 2 -1.98939426461874 2985359 C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3 1 2.98 2 2 -13.0553700921843 2985341 CCCOC1=CC=CC(=C1)C(=O)NCCNC(=O)C2=CC=CC=N2 1 2.028 3 3 -12.475592361051 2985334 CN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 3 2 3 -6.99141682365563 2985326 COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O)OC 1 2.923 1 6 0 -16.6676126930052 2985322 CC(C(=O)NC1CCCC1)N(C2=C(C=CC(=C2)Cl)OC)S(=O)(=O)C 1 2.541 2 4 -9.84044947260241 2985315 COC1=CC(=CC(=C1)C(=O)NCCNC(=O)C2=CC=CC=N2)OC 1 1.139 3 4 0 -13.5562465425775 2985306 CC(COC)NC(=O)C1=CC=C(C=C1)CN2CCC3=CC=CC=C3C2 1 3.016 2 2 -14.2026031966217 2985303 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CN=CC=C3 1 1.527 3 4 0 -22.0481909740984 2985299 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3Cl 1 3.445 2 3 -10.1922064578915 2985276 CCOC1=C(C=C(C=C1)C2=NOC(=N2)CCCC(=O)NCC3CCCO3)OC 1 2.035 3 5 0 -19.1384479069905 2985275 COC1=CC=CC=C1CNC(=O)C2CC3=CC=CC=C3C(=O)O2 1 2.522 1 4 -10.8447444255352 2985265 CC1=CC=C(C=C1)SCCNC(=O)C2=CC=CC=C2F 1 3.92 1 1 -7.55400786019868 2985259 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)Br)C(=O)C4=CC=CC=C4F 1 3.461 4 2 -5.5882713717522 2985255 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC(C3=CC=CC=C3)O)Cl 1 2.809 2 4 -19.383945315733 2985252 C1=CC=C(C(=C1)NC(=O)NC2=CC=CC=C2F)F 1 2.933 2 1 -5.34885488352659 2985242 CC(=O)NC1=CC=C(C=C1)OCC2=NN=C(O2)C3=CC=CC=C3 1 2.009 3 3 -8.2306327416413 2985238 COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)Br)[N+](=O)[O-] 1 3.224 2 5 0 -8.56111483561184 2985226 CC1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C 1 2.462 3 3 -11.7715434883708 2985216 CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2=CC=CC=C2 1 2.634 3 4 0 -33.2193278584718 2985213 CC1=CC=C(C=C1)OCC(=O)NCCNC(=O)C2=CC=NC=C2 1 1.065 3 3 0 -12.0186622617186 2985209 C1=CC=NC(=C1)C(=O)NCCCNC(=O)C2=CC=C(C=C2)Cl 1 1.899 3 2 0 -10.1035272266817 2985208 CC1=CC(=NO1)NC(=O)NC(=O)C2=CC=CC=C2 1 1.533 3 3 0 -12.921298585608 2985205 CC(C)OCCCNC1=NC=C2C(=N1)CC(CC2=O)C3=CC=CC=C3 1 2.378 3 2 -15.5581974353595 2985202 COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3 1 2.898 1 6 0 -5.51503891364197 2985197 C1=CC(=CC=C1CNCC2=CC=C(C=C2)F)C(=O)O.Cl Cl- 1 8.1e-002 1 2 0 -5.78499020210233e-002 2985192 C1=CC(=CN=C1)CNC(=O)NC(=O)C2=CC=C(C=C2)Cl 1 1.915 3 2 0 -7.68841303942126 2985184 COC1=CC=C(C=C1)C2=NOC(=N2)CNS(=O)(=O)C3=CC=CC=C3 1 1.891 3 4 0 -0.332065896594687 2985158 CN1CCN(CC1)NC(=S)NC2=CC(=C(C(=C2)OC)OC)OC 1 2.062 4 3 0 -7.86801652336251 2985157 CSC1=NSC(=N1)SCC(=O)NCC2=CC=CC=C2 1 2.947 3 1 -14.7891004853489 2985154 CC1=CC(=CC=C1)OCC(=O)NCCNC(=O)C2=CC=NC=C2 1 1.065 3 3 0 -10.9268194725799 2985129 C1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC=C(C=C2)Cl 1 2.045 2 3 -7.61540165369444 2985127 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)NNC(=O)C3=CN=CC=C3 1 0.839 4 3 0 -9.27888127245103 2985114 COC1=CC=C(C=C1)OCC(=O)NCCNC(=O)C2=CC=NC=C2 1 0.563 3 4 0 -12.5769050420623 2985100 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3 1 2.272 3 4 0 -18.8725696928056 2985096 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=CC=N3)CCCN4CCOCC4)O 1 0.986 3 5 0 -15.8087400270362 2985091 CN1CCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC 1 3.373 4 1 9.25901111023445 2985083 COC1=C(C=CC(=C1)S(=O)(=O)NCCCN2C=CN=C2)Cl 1 1.193 3 3 0 -6.66503755874456 2985078 C1COCCN1C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br 1 2.464 2 3 -9.98303487590091 2985059 CCNC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CS2 1 1.867 2 3 0 -14.3959686651594 2985056 CC1CCN(CC1)CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O 1 4.014 1 3 -8.66691791677013 2984996 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)N3C(=C(C(=N3)C)Cl)C 1 2.534 4 3 0 -20.3034766696644 2985000 CN1CCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3 1 3.342 4 0 6.50573105231768 2985002 CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)O 1 1.115 1 4 0 -11.1064920522446 2985038 CCCCC1=NN=C(N1CC)SCC(=O)NC2=NC=CS2 1 2.305 5 1 -18.165402615398 2985033 CCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3CCCCC3 1 1.569 4 2 0 -17.3045971847179 2985027 CC1=CC=C(C=C1)C(=O)NCCNC(=O)C2=CN=CC=C2 1 1.23 3 2 0 -9.17458356557685 2985021 CCCN1C2=CC=CC=C2N=C1CN3CCN(CC3)C 1 2.648 4 0 3.46832000683591 2984989 C1=CC(=CN=C1)C(=O)NCCNC(=O)COC2=CC=C(C=C2)Br 1 1.327 3 3 0 -12.8217662897785 2984987 COC1=CC=CC(=C1)C(=O)NCCNC(=O)C2=CC=CC=N2 1 1.156 3 3 0 -11.8314784753919 2984964 C1=CC=C(C=C1)S(=O)(=O)CC(=O)NCC2=CC=CO2 1 1.181 1 4 0 -15.3559258984603 2984958 CC(=O)NC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C2)C3CCCCC3 1 1.288 3 3 0 -11.5835653001483 2984956 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 2.706 3 4 0 -14.5979328989545 2984955 CN1C(=O)C(=C(C=N1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)Cl 1 1.586 4 2 0 -6.88612867085767 2984947 C1=CC=C(C(=C1)C(=O)NCCNC(=O)C2=CC=CC=N2)F 1 1.378 3 2 0 -12.9037425284052 2984897 CCN(CC1=CC=CC=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2 1 2.554 1 3 -14.2462666621003 2984873 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)N3CCOCC3 1 0.622 2 6 0 -17.5691663532781 2984831 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=C3 1 2.864 2 4 -20.8904554656344 2984812 COC1=C(C=C(C(=C1)CNC2CCCCCCC2)Br)OCCO.Cl Cl- 1 4.314 1 3 -3.0718332001985e-002 2984810 CC1=CC(=NC(=N1)N2C(=O)CC(=N2)C(C)(C)C)C 1 1.977 4 1 0 -2.9872683335982 2984807 CC(C)N(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)COC3=CC=CC=C3OC 1 2.956 3 4 0 -7.27666365231342 2984784 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O 1 1.689 4 4 0 8.96094843899665e-002 2984783 CC(C(=O)O)N1C2=CC=CC3=C2C(=CC=C3)C1=O 1 1.864 1 3 0 -5.88682420554266 2984782 CCCCNCC1=CC(=C(C(=C1)Br)OC2CCCC2)OC.Cl Cl- 1 4.814 1 2 -3.44807164398443 2984781 CC1=C(C(=C(N1CC2CCCO2)C)C(=O)C)C(=O)C 1 1.259 1 3 0 -13.3444638738581 2984768 CCNC(=O)CC1C(=O)N(C(=O)N1CC2=CC=C(C=C2)OC)C3=CC=CC=C3 1 2.187 3 4 0 -18.751277736883 2984762 C=CCN(CC=C)C(=O)C1CCC(CC1)C(=O)N(CC=C)CC=C 1 3.142 2 2 -14.3993458430703 2984760 CC1=C(C(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)C)C(=O)C 1 4.096 1 2 -6.51496522897676 2984759 CC1=C(C(=NN1)C)C(=O)CC2(C3=C(C=CC(=C3)Cl)N(C2=O)CCC4=CC=CC=C4)O 1 3.281 3 3 -4.55621099054385 2984732 CCCCSC1=NC2=C(C3=C(S2)COC(C3)(C)CC)C(=O)N1 1 4.208 2 2 -21.1793612235759 2984724 CC1=C(C(=NN1C(C)C(=O)NCC2CCCO2)C)[N+](=O)[O-] 1 0.705 4 4 0 -12.4660477279222 2984721 CC1=CC=C(C=C1)C(=O)N2C3CCCCC3NC(=O)C2CC(=O)NC4=CC=C(C=C4)Cl 1 3.723 3 3 -14.3483511584998 2984719 CC1CCCN(C1)CCC(=O)C2=CC=C(C=C2)OC.Cl Cl- 1 3.044 1 2 0.281815646904437 2984718 COC1=CC(=C(C=C1)NC(=O)CN2CCC3=CC=CC=C3C2)[N+](=O)[O-] 1 2.492 3 4 0 -10.8355014092889 2984716 C1=CC=C2C(=C1)NC3=C(C=C(C(=O)N23)NC(=O)C4=CC=C(C=C4)F)C#N 1 2.228 4 2 -10.8931675250455 2984705 CCCN(CCC)CCCN1C2=CC=CC=C2NC1=O.Cl Cl- 1 2.844 3 1 -5.93351168686624 2984704 CCN1C(=O)CC(C1=O)N2CCC(CC2)C(=O)N3CCOCC3 1 -0.638 3 4 0 -6.37140271052596 2984703 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3CCN(CC3)C(=O)C4=CC(=CC=C4)Cl 1 2.383 3 5 0 -7.30008007268502 2984692 CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C 1 3.963 8 3 0 -7.72517087271975 2984688 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC 1 3.195 3 3 -10.3296168900383 2984684 COC1=CC=CC=C1C2=NOC(=N2)CCCC(=O)NC3CCCCC3 1 3.202 3 3 -13.0559811841887 2984678 CC1=CC(=CC=C1)N2C(=O)C(N(C2=O)CCOC)CC(=O)NC3=CC=C(C=C3)F 1 2.409 3 4 0 -12.9401039464044 2984676 CN1C(=NN=N1)SCCNCC2=CC(=CC=C2)OC.Cl Cl- 1 1.393 5 1 0 -11.8420845481221 2984654 COC1=C(C(=CC(=C1)C2C3CC=CC3C4=C(N2)C(=CC=C4)F)Br)OC 1 4.914 1 2 2.35320552347583 2984647 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CO3 1 1.547 3 5 0 -11.0057886349946 2984646 CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)COC3=C(C=C(C=C3)C=O)OC)C(=O)OC 1 3.063 2 6 0 -27.1017973331718 2984645 CC1(C2(CCC1(OC2=O)C(=O)OC3=CC=C(C=C3)C(=O)OC)C)C 1 3.031 0 6 -9.72314516222851 2984637 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)C 1 2.155 3 5 0 -0.364179125110947 2984615 C1C2CC3C1C(C2C(=O)NC4=CC=CC(=C4)C(F)(F)F)C(=O)O3 1 2.293 1 3 2.56625512646836 2984614 C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4)[N+](=O)[O-] 1 2.208 4 5 0 -9.92875733866868 2984612 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4 1 3.507 4 3 0 7.79939235588304 2984597 CC1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3C4CC5C3C(=O)OC5C4)C 1 3.108 2 4 -6.09817941423078 2984595 CC1CCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC=C3 1 2.9 2 3 -13.853066551147 2984526 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4 1 2.654 3 4 0 -16.8573243041158 2984525 C1CN(C(C(=O)N1)CC(=O)NC2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.701 4 5 0 -25.6572954795041 2984521 CN(C)C(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.55 3 4 0 -8.54532998280528 2984479 CC1=C(C(=NN1C(C)CC(=O)O)C)Br 1 1.763 2 2 0 -5.66662756211568 2984512 CC1=C(SC(=N1)NC(=O)C23CCC(C2(C)C)(C(=O)O3)C)C 1 1.953 2 3 0 -9.42837523037862 2984506 CCCCC(CCN1CCOCC1)(C2=CC=C(C=C2)Cl)O.Cl Cl- 1 3.448 1 2 -0.794941072653297 2984485 CC1(CCS(=O)(=O)C1)N(C)S(=O)(=O)C2=CC=C(C=C2)F 1 0.865 1 4 0 -6.72892276423121 2984452 C1CN(CCN1CCC(=O)NNC(=S)NC2=CC=CC=C2)C3=CC=CC=C3 1 3.493 5 1 -4.16808103020273 2984448 COC1=CC=C(C=C1)C2=NOC(=N2)CCCC(=O)NC3CCCC3 1 2.746 3 3 -7.35553355563404 2984447 C1CN(CCN1C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.676 4 3 0 -3.54732359430506 2984431 C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4 1 2.982 4 4 0 -5.14980499419047 2984412 CC1=CC=CC=C1S(=O)(=O)N=C(C2=CC=CC=C2)N(C)C 1 2.495 2 2 -6.75270893162201 2984402 CC1=CC=CC=C1NC(=O)CC2C(=O)NCCN2C(=O)C3=CC(=CC=C3)Cl 1 2.293 3 3 -26.1730187707498 2984398 CCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)N(C)C)C3CCS(=O)(=O)C3)Cl 1 3.223 4 3 0 -17.3388486034498 2984389 CCCC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=CC=C3 1 2.634 5 1 -9.52021175609461 2984381 CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.219 2 4 -7.75319546690915 2984380 CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C=C(S2)C(=O)OC)C 1 2.74 2 8 0 -27.3204166406087 2984379 COC1=CC=CC(=C1OCC2=CC=CC=C2)CNCCC3=CNC4=CC=CC=C43.Cl Cl- 1 5.116 2 2 -3.13873933607432 2984349 CC1=CC=C(C=C1)N(C(C)C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 2.321 2 5 0 -11.0448663097537 2984348 C1COC2=C(O1)C=CC(=C2)NC(=O)COC3=CC=C(C=C3)F 1 2.441 1 4 -8.05567164334399 2984343 CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CN3CCC4=CC=CC=C43)C(=O)OC 1 3.574 3 3 -26.0220232105613 2984328 CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)Br)OCC(=O)N)C(=O)C 1 0.525 3 4 0 -29.6338256162601 2984326 CCN1C(=O)CC(C1=O)NCC2=CC3=C(C=C2)OCO3 1 0.604 2 4 0 -5.03732562246981 2984302 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O 1 0.81 3 7 0 -23.1083555924799 2984301 CC1=CC(=NN1C(=O)C(C)N2C(=C(C(=N2)[N+](=O)[O-])Br)C)C 1 2.669 5 3 0 -7.98831667691244 2984292 CC1=CC=CC=C1C(=O)NN2CC(CC2=O)C(=O)OCC3=CC(=C(C=C3)Cl)Cl 1 3.612 2 4 -9.37401351596314 2984289 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=NC=C(C=C3)Cl 1 3.091 5 4 0 -6.84011590137644 2984278 CSC1=CC=C(C=C1)CNCC(C2=CC=CC=C2)O.Cl Cl- 1 2.982 1 1 2.34081041679333 2984275 C1=CC=C(C=C1)CNC(=O)CC(C2=CC=CC=C2)SC3=NNC(=N3)C4=CC=CC=C4 1 5.081 4 1 -9.9071587987083 2984273 CS(=O)(=O)N(CC1=CC=CO1)CC(CN2C=C(C3=CC=CC=C32)C=O)O 1 1.532 2 5 0 -5.19229537459042 2984271 CC1=CC(=NO1)N2C(=O)CC(C2=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O 1 0.844 5 4 0 -4.59978113357307 2984270 COC1=CC(=C(C=C1)OC)CN2CCC(CC2)CNC(=O)NC3=CC(=CC=C3)Cl 1 3.85 3 3 -0.638855071633189 2984267 C1C2C=CC1C3C2C(=O)N(C3=O)N(CC(=O)C4=CC=CS4)C(=O)C5=CC=CC=C5Cl 1 3.023 2 4 -5.62307456620854 2984263 C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl 1 4.909 2 3 4.68354890464773 2984251 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC=C4 1 3.344 3 4 0 -7.30694562796715 2984234 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 2.119 6 3 0 -12.3346448309699 2984215 CC(C(C1=CC=CC=C1)O)NCC2=C(C(=CC=C2)Cl)Cl.Cl Cl- 1 4.146 1 1 1.13539359916211 2984196 CC1=CC=C(C=C1)N2C(=O)C(N(C2=O)CC(C)C)CC(=O)NC3=CC=C(C=C3)C(=O)OC 1 3.381 3 5 0 -18.7416668673596 2984193 CC(C(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)N(C3=CC=C(C=C3)Cl)S(=O)(=O)C 1 1.833 3 5 0 -14.5171532216918 2984176 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)C 1 3.632 3 3 -15.3363890005528 2984172 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4 1 3.183 4 4 0 -6.261999364943 2984161 CC1=C(C(=NN1C(C)C(=O)NCC2=CC=CO2)[N+](=O)[O-])Br 1 2.116 4 4 0 -9.81917287742107 2984153 CC(=O)NC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N=C2CO)O 1 1.382 3 4 0 -0.791639549453115 2984150 CCC(C)NC(=O)CN(C1CCCCC1)S(=O)(=O)C 1 1.538 2 3 0 -17.2779995749092 2984138 CC1=CC(=CC=C1)CN2C3=C(N=C2NCC(C)O)N(C(=O)N(C3=O)C)C 1 1.685 5 3 0 -14.3947637969313 2984120 CC1=CC(=C(C(=C1N(C)S(=O)(=O)C2=CC=C(C=C2)Cl)C)S(=O)(=O)N3CCCCC3)C 1 4.68 2 4 -8.93818477802611 2984107 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC(C2)C(=O)N3CCCC3 1 3.734 3 3 -16.4464452227476 2984104 CC1CC2=C(C(=NC(=N2)NCC3CCCO3)C)C(=O)C1 1 1.33 3 2 0 -9.80559802297816 2984103 CN(C1=CC=CC=C1)C(=NS(=O)(=O)C2=CC=CS2)C3=CC=CC=C3 1 4.018 2 2 -7.38126642945362 2984091 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)OC 1 1.878 3 4 0 -8.78701540988372 2984081 CC1=C(C(=NN1C(C)CC(=O)O)C)C(=O)C 1 0.755 2 3 0 -8.98780123940936 2984034 CCOC1=C(C=C(C=C1)Cl)CNCCC2=CC=C(C=C2)F.Cl Cl- 1 4.474 1 1 5.56956772699321 2984042 CC(C)(C)CC(C)(C)NC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] 1 3.209 3 3 -11.6773360909746 2984077 CCC1=CC2=C3C(=C1)C(CC(N3C(=O)C24C(=C(N5C6=CC=CC=C6NC5=C4C#N)N)C#N)(C)C)C 1 4.304 6 1 0 -8.93864950058643 2984072 COC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC=CS4 1 3.122 2 5 0 -17.1392671565346 2984069 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CNCCC3=CC=C(C=C3)Cl 1 3.131 4 5 0 -21.4871605452255 2984065 CCOC1=C(C(=CC(=C1)CNCCSC2=NN=NN2C)Br)OCC3=CC=C(C=C3)F.Cl Cl- 1 4.263 5 2 0 -14.3770386858727 2984058 C1CN(CCN1CCC(=O)NNC(=O)NC2=CC=CC(=C2)C(F)(F)F)CC3=CC=CC=C3 1 2.852 5 2 0 0.657481225685881 2984054 CC(C)(C)OC(=O)N1CCC(CC1)C2=CN(N=C2C(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4OC 1 4.984 4 4 0 -9.41292258269416 2984050 CC(C)NCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.Cl Cl- 1 4.409 1 1 -0.130114800780775 2984048 CN(C)C1=CC=C(C=C1)C(=S)N(C)C 1 2.829 2 0 -4.48987366372696 2984027 CC1=C(C=CC(=C1)CSCCC2=NNC(=S)N2C3=CC=CC=C3)OC 1 4.797 3 1 -7.59368544790655 2983995 C1CN(CCC1C2=NC3=CC=CC=C3O2)C4CC(=O)NC4=O 1 1.156 3 3 0 1.48962215755668 2983968 CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5 1 4.908 4 1 -0.489393628759334 2983964 C1CCCN(CC1)C(=O)OC2=C(C3=CC=CC=C3C=C2)Cl 1 4.745 1 2 0.936894089438494 2983962 CC1=C(C(=NN1C(C)C(=O)NCC2CCCO2)[N+](=O)[O-])Br 1 1.71 4 4 0 -12.3202043043657 2983956 C1=COC(=C1)CNC(=O)CN2C=C(C=N2)[N+](=O)[O-] 1 0.199 4 4 0 -18.2501964306048 2983954 CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])NC(C1)(C)C 1 1.952 3 2 0 -8.16405829570526 2983946 COC(=O)C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N4C2=NCC4.Br Br- 1 2.671 3 3 -8.93074816473897 2983943 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CCOC)C3=CC(=CC=C3)OC 1 2.033 3 6 0 -16.2922633913097 2983928 CCN1C(=O)CC(C1=O)N2CCC(CC2)NC3=CC=C(C=C3)F 1 1.423 3 2 0 -0.470559941122311 2983927 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=N3 1 1.393 3 4 0 -20.9638320154288 2983891 CC(C(=O)N1CCCCCC1)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.734 2 3 -6.95496541656236 2983868 C1CC(OC1)CNC(=S)C2=CC=C(C=C2)Br 1 3.238 1 1 -5.32459597435362 2983863 COC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)O)[N+](=O)[O-] 1 2.542 1 6 0 -7.69403004649572e-002 2983841 C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4)[N+](=O)[O-] 1 3.303 4 4 0 -4.54836915898212 2983815 CC1=C(C(=NN1C(C)C(=O)NCC2=CC=CO2)C)[N+](=O)[O-] 1 1.111 4 4 0 -9.96501630097758 2983813 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-] 1 3.083 4 4 0 -9.96873097237379 2983812 C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4 1 1.969 1 5 0 -4.80372714917182 2983811 CCN(CC(=O)NCC1CCCO1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.622 2 4 0 -23.9503454379664 2983808 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.35 6 5 0 -14.5375246582463 2983783 CCN1C(=O)CC(C1=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C4=CC=NC=C4 1 1.671 4 3 0 0.558208976366466 2983779 CC1CC2=NC(=NC=C2C(=O)C1)N3CCC4=CC=CC=C43 1 2.546 3 1 -9.66208340884001 2983778 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCNC3=CC=C(C=C3)C(=O)C4=CC=CS4 1 3.627 3 4 0 -12.7314450209604 2983761 CCOCCCNCC1=CC(=C(C=C1)OCC2=CC=CC=C2C)OC.Cl Cl- 1 3.684 1 3 -9.222144904426 2983760 C1CN(CCN1C2CC(=O)N(C2=O)CC3=CC=CS3)C4=CC=C(C=C4)C(=O)C5=CC=NC=C5 1 2.646 4 3 0 -0.128048674570429 2983754 C1CN(C(C(=O)N1)CC(=O)NC2=CC(=CC(=C2)Cl)Cl)C(=O)NC3=CC=CC=C3 1 2.379 4 3 0 -24.3068469400441 2983747 CCC(=O)C1=CC=C(C=C1)OCC(CN2CCC3=CC=CC=C3C2)O.Cl Cl- 1 3.506 1 3 -12.2261789433986 2983737 CCN1C(=O)CC(C1=O)N2CCC(CC2)NC3=CC=C(C=C3)OC 1 1.201 3 3 0 -1.5954031757317 2983734 CC(=O)CC(C)(C)N1C2C(C(=N1)C(=O)OC)C(=O)N(C2=O)C3CCCCC3 1 1.072 3 5 0 -13.03952723706 2983721 CC1=CC=CC(=C1)C2=NOC(=N2)CCCC(=O)NC3CCCC3 1 3.249 3 2 -3.83768630004423 2983682 COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 2.946 3 4 0 -33.7521256351996 2983680 CCOC(=O)N1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)N 1 2.884 7 3 0 -0.981725621001372 2983678 COC1=CC=CC(=C1)CNC(=O)CN2C=C(C=N2)[N+](=O)[O-] 1 1.001 4 4 0 -16.5184371068119 2983656 C1CCN(C1)C(=O)C2CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=CC=C4)Cl 1 2.027 3 3 3.00359251666882 2983642 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3CCCO3)C 1 3.343 2 4 -17.6696616798423 2983626 C1CNC(=O)C(N1)CC(=O)OCC2=CC=CC=C2 1 0.336 2 3 0 -17.8325275711905 2983621 CCC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2C3CC3)C4=CC=C(C=C4)C 1 3.766 3 3 -13.2268009844341 2983599 CCOC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC=C2 1 2.366 3 3 -28.6843533560384 2983598 COC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CC=C4 1 3.158 5 2 0 -8.03923711501066 2983595 CN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl 1 1.573 3 4 0 -15.1255667835827 2983587 CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=CS3 1 1.509 3 3 0 -9.84861287486835 2983586 CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC(OC(C3)C)C)Cl 1 3.423 4 4 0 -26.2305405662041 2983583 C1COC2=C(O1)C=C3C(CC(=O)NC3=C2)C4=CC=NC=C4 1 1.194 2 3 0 -6.71726337621349 2983582 CC1=C(C(=NN1C(C)C(=O)N2CCOCC2)C)[N+](=O)[O-] 1 0.24 4 4 0 -8.12303382404932 2983578 C1=CC=C(C=C1)CCNCCN2C=NC3=C2N=CN=C3N 1 1.271 6 0 0 -1.85975575970112 2983577 C1C(OC2=CC=CC=C2O1)C(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.382 2 3 2.90853820599812 2983576 CCNC(=O)CC1C(=O)N(C(=O)N1CCC(C)C)C2=CC=CC=C2 1 2.2 3 3 -21.6439857181677 2983575 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=NC=CN=C4C=C3 1 2.337 4 1 1.6209972366986e-002 2983574 C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F 1 2.002 2 4 -24.2311565182552 2983573 CC1=C(C=C(C=C1)F)NC(=O)CSC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCOCC4 1 3.521 6 2 0 -10.9589992873645 2983569 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=CC=CC=C3F 1 3.232 1 3 -7.73554583619339 2983563 CC(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 5.89 2 2 -8.08336306795528 2983559 CC1=CC=CC=C1NC(=O)NC(C)(C)CC(C)(C)C 1 3.801 2 1 -13.3132479574508 2983558 CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CN3CCSCC3)C(=O)OC 1 2.259 3 3 -18.1635236906395 2983557 CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3CCCC3 1 2.693 1 3 -1.37036311559682 2983552 CCOC(=O)N1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4 1 2.785 3 5 0 2.36977598230664 2983547 CC1(CC2=CC=CC=C2C(=O)O1)C(=O)O 1 1.688 0 4 0 -4.95181518804082 2983546 CCN1C(=O)CC(C1=O)N2CCN(CC2)CC(=O)NC(C)C 1 -0.469 4 3 0 -10.812164689502 2983542 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)OC4=NN=C(C=C4)OCC5=CC=CC=C5 1 4.725 7 3 0 -3.66001035807925 2983538 CCOC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3 1 3.664 0 5 -9.2722507854061 2983536 CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)COC3=CC=C(C=C3)C 1 4.155 2 4 -20.8429621375239 2983519 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CN3C=NC4=CC=CC=C43 1 3.099 4 3 0 -23.5014870785693 2983518 CCOC(=O)N1CCN(CC1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=C(C=C4)C 1 3.041 5 3 0 -8.79831279247929 2983515 CC1=CC=C(C=C1)OC(C)C(=O)N2CCCC3=CC=CC=C32 1 4.157 1 2 -10.556464745271 2983509 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 4.304 3 4 0 -12.5286770614235 2983508 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4CCCO4)C 1 4.096 4 5 0 -13.7003550286239 2983507 CC1=CC=C(C=C1)OC(C)C(=O)N2CCC3=CC=CC=C32 1 3.701 1 2 -12.0858350721793 2983498 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3CC3 1 2.501 2 3 -8.61252870708027 2983483 C1C(CN(C1=O)NC(=O)C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)Br 1 2.545 2 4 -8.91108856810402 2983466 CCNCC1=C(C=CC(=C1)[N+](=O)[O-])OCC.Cl Cl- 1 1.943 2 3 0 -2.48552057586561 2983465 CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CC4=C3C=CC=C4Cl 1 3.566 3 2 -5.71047917691814 2983450 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)N3C(=C(C(=N3)[N+](=O)[O-])Br)C 1 2.02 6 4 0 -15.9173151407354 2983448 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3CCN(CC3)C(=O)C4=CC=C(C=C4)F 1 2.052 3 4 0 -6.41264185887522 2983415 CCN(CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)C2=CC=CC=C2 1 2.855 3 4 0 -14.22360212771 2983412 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.39 4 5 0 -12.2962922319147 2983410 CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=CC=C(C=C3)Br 1 2.577 3 3 -6.81094643259732 2983409 CCNCC1=C(C=CC(=C1)Br)OCC=C.Cl Cl- 1 3.065 1 1 -3.03904697029077 2983364 C1CN(CCN1C2CC(=O)N(C2=O)CC3=CC=CS3)C4=CC=C(C=C4)C(=O)C5=CN=CC=C5 1 2.646 4 3 0 -1.50514097936395 2983365 CCNC(=O)CC1C(=O)N(C(=O)N1CC2=CC=CS2)C3=CC=C(C=C3)F 1 2.149 3 3 -19.1612670852844 2983367 C1COCCN1C2=NC(=NC(=N2)OCCNC(=O)NC3=CC=C(C=C3)Cl)N4CCOCC4 1 1.381 7 4 0 -6.50738059243446 2983368 CCOC1=C(C(=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)C)Br)OCC=C 1 2.621 2 4 -33.5916324466551 2983404 CC(C1=NN=C(N1C)SCCC(=O)NC2=CC=CC=C2)NC(=O)CC3=CC=C(C=C3)OC 1 2.855 5 3 0 -18.1308057660418 2983395 CCN1C2=C(C=C(C=C2)N)N(C1=O)CC.Cl Cl- 1 1.055 3 1 0 -1.44071518912171 2983359 CC1=C(C(C(=O)N1C2=CC=CC=C2)(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)N)C(=O)C 1 1.9 3 4 0 -6.24269547543847 2983348 CC1=CC(=NC(=N1)N2C(=O)CC(=N2)C3=CC=CC=C3)C 1 2.104 4 1 -2.76369569599537 2983342 C1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=CC=CS3)CCC(=O)O 1 3.717 2 3 -8.90628707753945 2983339 CCOC1=C(C=CC(=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N)OCC3=CC=C(C=C3)Cl.Cl Cl- 1 4.541 2 4 -7.71105895066097 2983338 CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N 1 2.343 5 4 0 -20.4340341181956 2983335 C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4)[N+](=O)[O-] 1 3.183 4 4 0 -9.21387683002307 2983306 COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC=CS3)[N+](=O)[O-] 1 3.908 4 4 0 -10.9607708889887 2983301 CC1=CC=C(C=C1)N(C(C)C(=O)NC2=C(C=CC(=C2)C)OC)S(=O)(=O)C 1 3.023 2 4 -10.3421521927176 2983299 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C 1 2.426 3 5 0 -7.4982239735862 2983279 CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CN3C=NC4=CC=CC=C43)C(=O)OC 1 3.058 4 3 0 -22.4450164358809 2983278 CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CSC3=NN=CN3C)C(=O)OC 1 1.99 5 3 0 -31.4211781300488 2983266 C1CC1NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.015 2 3 -9.50853834631642 2983262 CC1=CC=C(C=C1)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 2.905 3 4 0 -13.6612752821289 2983260 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)OC 1 2.49 1 5 -17.8741907312261 2983248 C1=CC=C(C=C1)CCC(=O)NN2C(C(=O)N(C2=O)C3=CC=C(C=C3)F)CC(=O)N 1 1.595 4 4 0 -13.7465834579281 2983236 CCCSC1=NC2=C(C3=C(S2)CCC(C3)C)C(=O)N1 1 4.324 2 1 -20.3095555232903 2983229 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC4=C(C=C3)C=C(C=C4)Br)O 1 2.614 3 4 0 -9.98155858552749 2983206 COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.311 4 6 0 -33.8123392427855 2983201 CCOC(=O)C1C(N=C(NC1=O)N2CCCCC2)C3=CC=CO3 1 1.552 3 4 0 -14.7823688267185 2983197 CCN1C(=O)CC(C1=O)SC2=CC=CC=C2N 1 1.093 2 2 0 -1.89675343693071 2983190 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3Cl 1 3.16 3 3 -9.1524030840829 2983189 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CNCC3=CC=CC=C3Cl 1 2.81 4 5 0 -23.3175193390348 2983188 CC1=CC=C(C=C1)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.225 2 5 0 -23.9006660950872 2983184 COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2F)NC(=O)C3=CC=CS3 1 4.693 3 3 -18.7102536091887 2983176 CC1=C(C=CC(=C1)NC(=S)NC)[N+](=O)[O-] 1 2.892 3 2 -12.3117764627053 2983163 C1COCCN1S(=O)(=O)NC2=CC=C(C=C2)Br 1 0.768 2 3 0 -2.54048243253744 2983162 COC1=CC=CC(=C1)NC(=O)C2C3CC4C2C(=O)OC4C3 1 1.335 1 4 0 -1.85581827761285 2983154 C1C(C(=O)N(C1=O)CC2=CC=C(C=C2)F)SCCN.Cl Cl- 1 0.874 2 2 0 -4.09983638894151 2983151 CC1CN(CCN1S(=O)(=O)N(C)C)S(=O)(=O)N(C)C 1 -2.063 4 4 0 -19.7124008553362 2983146 CC1=C(C(=NN1CC(=O)NCC2=CC(=CC=C2)OC)[N+](=O)[O-])Br 1 2.434 4 4 0 -16.1897451575643 2983143 C1CC(OC1)CNC(=O)C2=NN3C=CC=NC3=C2Cl 1 0.762 4 2 0 -13.2789783942012 2983141 C1=CC=C(C=C1)CNC(=O)CN2C=C(C=N2)[N+](=O)[O-] 1 1.017 4 3 0 -16.9115246608419 2983139 CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)COC3=C(C=C(C=C3)F)Cl 1 4.539 2 4 -19.9258960864664 2983131 CCOC1=C(C=C(C=C1Cl)CNCC2=CC=CC=N2)OC.Cl Cl- 1 2.996 2 2 -3.11322955749307 2983124 C1COC2=C(O1)C=C3C(CC(=O)NC3=C2)C4=CC5=C(C=C4)OCO5 1 2.113 1 5 -8.92468355175661 2983095 COC1=CC=CC(=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=C(C=C3)F 1 3.135 4 3 0 -27.5440635942481 2983089 COC1=CC=C(C=C1)NC2CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl 1 3.298 3 3 3.48161699947203 2983087 CC(C1=CC=CC=C1)NCC2=CC=CC=C2OC3CCCC3.Cl Cl- 1 4.714 1 1 1.22018853057081 2983083 CC1=CC(=C(C(=C1N(C)S(=O)(=O)C2=CC=C(C=C2)Cl)C)S(=O)(=O)N)C 1 3.351 2 4 -2.99323239239172 2983080 CC(C1=CC=C(C=C1)F)N2C(=NNC2=S)C3=NC4=CC=CC=C4C=C3 1 4.883 4 0 -1.3816568897303 2983075 CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3C(=O)O)Cl 1 3.381 3 4 0 -6.32061792814742 2983073 CC1=CC(=CC=C1)NC2=NC(CC(=O)N2)C(=O)NC3=CC=C(C=C3)OC 1 2.166 4 3 0 -0.768925793202298 2983069 CC1=CC2=C3C(=C1)C(=CC(N3C(=O)C24N=C(NC(=N4)NC5=CC=CC=C5)N)(C)C)C 1 3.583 6 1 0 -1.40629842654273 2983068 CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CC=C4 1 2.042 5 4 0 -10.1260117176531 2983064 CC1(CC2=CC=CC=C2C(=O)O1)C(=O)OC3=C(C=CC(=C3)C=O)OC 1 3.233 0 6 -10.1206086912233 2983055 COC1=CC=CC(=C1OCC2=CC=CC=C2F)CNCCC3=CNC4=CC=CC=C43.Cl Cl- 1 5.322 2 2 -3.32319209933548 2983047 CSC1=CC=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.086 2 3 -8.27954491810875 2983040 CC(=O)C1=CC(=CC=C1)NC(=O)C2C3C=CC(C2C(=O)O)C4C3C4 1 1.364 1 4 0 -7.88041590129848 2983027 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CN=CC=C3 1 1.215 4 4 0 -11.3751913608614 2983016 CC1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4 1 3.69 4 4 0 -8.99236037790764 2983006 C1COCCN1CCC(=O)NNC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 0.999 4 3 0 -4.0592899605663 2982996 CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CN4C=CC(=N4)C(F)(F)F 1 2.502 4 5 0 -25.6010775284991 2982985 CCCCC1=C(N2C3=CC=CC=C3NC2=NC1=O)O 1 3.032 3 2 -7.98224023895777 2982981 COC1=C(C=CC(=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N)OCC(=O)N3CCCCC3.Cl Cl- 1 2.127 3 5 0 -15.9560206768721 2982978 COC1=C(C(=CC(=C1)Cl)CNC2CCCC2)OCC=C.Cl Cl- 1 4.018 1 2 -1.65949085981048 2982965 CC(C1=CC=CC=C1)NCC2=CC(=C(C=C2Br)OCC(=O)N)OC 1 2.898 2 3 -4.96609847119353 2982963 CC1CN(CCN1S(=O)(=O)N2CCOCC2)S(=O)(=O)N3CCOCC3 1 -2.688 4 6 0 -16.2712422082688 2982956 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C(=O)OC 1 2.177 2 6 0 -17.8075285231478 2982948 C1C2=CC=CC=C2C(=N)N1NC(=O)C3=CC=C(C=C3)Cl.Br Br- 1 2.55 3 1 -4.60072088112903 2982947 C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC=C4 1 2.724 7 4 0 -12.3961495952797 2982934 CC1=CC(=C2C(=C1)OC=C2CC(=O)NNC(=O)C3=CC=CC=C3)C 1 3.182 2 3 -8.98599002805083 2982893 C1=CC=C(C(=C1)C(=O)NCC(=O)NC2=CC=CC=C2C(F)(F)F)F 1 2.822 2 2 -13.9529739495308 2982882 CN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br 1 1.673 3 3 0 -13.7815693035287 2982879 CC1=CN(C(=N1)C2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)F)OC 1 3.471 2 3 -3.3698911314888 2982874 CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CCC(C)C)C3=CC=C(C=C3)F 1 3.838 3 5 0 -20.1883526208799 2982873 CC1CC(N2C3=C(C=C(C=C13)C)C4(C2=O)N(C(=O)CS4)C5=CC=C(C=C5)F)(C)C 1 4.5 2 2 -3.496217668082 2982858 CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.604 2 3 -5.37451863809755 2982841 C1COCCN1C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3 1 2.498 1 3 -7.89264419403283 2982831 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(C(=O)C)NC(=O)C3=CC=CC=C3Cl 1 2.259 3 4 0 -7.62834329101507 2982814 C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C3CC(=O)NC3=O 1 0.77 2 3 0 2.03685363321121 2982813 CC1=C(C(=NN1C(C)C(=O)NCC2=CN=CC=C2)[N+](=O)[O-])Br 1 1.784 5 3 0 -10.1885756032878 2982811 CCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)Br)C 1 1.631 2 5 0 -24.7014391307067 2982783 CCOC1=C(C=CC(=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N)OCC(=O)NC3CCCCC3.Cl Cl- 1 3.211 3 5 0 -17.411306369398 2982778 C1C(C2=CC3=C(C=C2NC1=O)OCO3)C4=CC=NC=C4 1 1.177 2 3 0 -5.27196222264505 2982776 C1CC(OC1)CN2C(=CC=C2C3=CC=C(C=C3)F)CCC(=O)O 1 3.494 1 3 -13.3603234109886 2982766 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN=C2CC3=CC=CC=C3 1 3.157 2 3 -8.61711829318295 2982764 CC(=O)NC1=CC=CC(=C1)N2C(=O)CC(C2=O)N3CCC(CC3)C(=O)N4CCCCC4 1 0.939 4 4 0 -4.29418120358883 2982761 COC1=CC=C(C=C1)NC(=O)NCCN2CCN(CC2)C3=C(C=CC(=C3)OC)OC 1 2.665 4 4 0 -4.53834391400897 2982754 CC1=C(C=C(C=C1)OC)NC(=O)C2CC(=O)NC3=C2C(=O)CCC3 1 1.075 2 4 0 -17.8660952269902 2982743 CC(C)(C)OC(=O)NNC1CC(=O)N(C1=O)C2=CC=CC=C2F 1 1.357 3 4 0 -10.4911740171417 2982742 COC1=CC=C(C=C1)CCNC(=O)COC2=C(C=C(C=C2)S(=O)(=O)NC3CCCCC3)Cl 1 4.195 2 5 0 -16.8390030365506 2982735 CC1(C2(CCC1(OC2=O)C(=O)NC3=NC=C(S3)[N+](=O)[O-])C)C 1 1.544 3 5 0 -6.41777899025401 2982734 COC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CC=NC=C3)OC 1 1.376 2 3 0 -7.70121359154602 2982732 C1CN(C(C(=O)N1)CC(=O)NC2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)Cl 1 1.92 4 3 0 -22.348552039131 2982730 CCSC1=CC=CC=C1C(=O)NC2=NC(=O)CC3N2CCNC3=O 1 0.907 4 3 0 -22.4775843662577 2982729 C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC4=CC=C(C=C4)F 1 3.622 2 1 -8.00027802342298 2982726 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CN3CCOCC3 1 0.785 4 6 0 -26.0069371742438 2982720 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C(=O)C5=CC=CC=C5 1 3.402 5 5 0 -7.77704403257053 2982708 C1CN(CCN1C2CC(=O)NC2=O)C3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F 1 2.472 3 3 -2.1101884845953 2982704 CCOC(=O)C1CCCN(C1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC5=C(C=C4)OCO5)C(F)(F)F 1 3.842 4 5 0 -16.9107746679719 2982702 COC1=C(C=C(C=C1)CCNCC2=CC(=C(C=C2)OCC(=O)N3CCCCC3)OC)OC.Cl Cl- 1 3.389 2 5 0 -11.9757468186902 2982696 CN(C)S(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC=CC=C3 1 0.752 4 5 0 -23.8833960811982 2982669 C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC4=CC=CC=C4)C(=O)NC5=CC=CC=C5 1 4.605 2 2 -11.1974447158495 2982648 CC(C)C1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C 1 1.731 1 3 0 -1.64997411106117 2982632 COC1=CC=CC=C1NC(=O)COC2=C(C=C(C(=C2)Br)CNCCCN3CCOCC3)OC 1 2.592 3 5 0 -11.3502652203383 2982618 C1CN(C2=CC=CC=C21)C(=O)C3C4C=CC(C3C(=O)O)C5C4C5 1 1.905 1 3 0 -12.2271864527712 2982611 CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CSC3=NN=NN3C)C(=O)OC 1 1.73 6 3 0 -32.612601005269 2982560 C1C(C=CS1(=O)=O)N(C2=CC=C(C=C2)Cl)C(=O)C3=CC=CS3 1 2.818 1 3 -3.03775227778083 2982564 CC1=C(C=C(C=C1)N(C(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C)C 1 2.132 4 4 0 -17.4930016246851 2982568 CC1CCCC(C1=O)C2(C3=CC=CC=C3NC2=O)O 1 1.636 1 3 0 -5.69933886053186 2982602 CN1C(=NN=N1)SCCNCC2=CC=CC=C2OCC3=CC=CC=C3Cl.Cl Cl- 1 3.641 5 1 -11.6408712358931 2982591 C1=CC=C(C(=C1)CNCC2=CC=NC=C2)OCC3=CC=CC=C3F.Cl Cl- 1 3.573 2 1 0.980916610456533 2982580 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.674 3 6 0 -21.2750261484148 2982577 CCOCCOC1=CC=CC(=C1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.435 1 3 -17.7155548880573 2982548 CCN1C(=O)CC(C1=O)N2CCC(CC2)C(=O)OC 1 0.115 2 4 0 -2.65490672091794 2982547 CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)F)OC1=O 1 2.246 2 4 -1.53174937478649 2982540 CCOC1=C(C=CC(=C1)CNCCN2CCOCC2)OCC3=CC=CC=C3Cl.Cl Cl- 1 3.758 2 3 -6.38898506896683 2982536 CC1=CC=C(C=C1)NC2=NN=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.755 6 2 0 2.61447612189725 2982476 CC(C1=CC=CC=C1)N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3 1 3.143 5 1 -7.98362045415008 2982494 COC(=O)COC1=CC=C(C=C1)C2C3CC=CC3C4=C(C=CC(=C4N2)Cl)C(=O)O 1 3.977 1 5 -4.77539797920499 2982528 CC1=C(C(=NN1C(C)C(=O)NC2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-])Br 1 2.048 5 4 0 -9.80082000530536 2982527 C1CN(CCC1N2C3=CC=CC=C3NC2=O)C4CC(=O)N(C4=O)CC5=CC=CC=C5 1 1.712 4 3 0 -2.85385551203355 2982520 CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=CC=C3C(=O)O 1 2.473 1 5 -9.89402881136392 2982519 C1CN(CCN1C2CC(=O)N(C2=O)CC3=CC=CS3)C4=CC=C(C=C4)F 1 2.597 3 2 3.60848204168762 2982516 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CC(OC(C3)C)C 1 1.663 2 5 0 -7.09316934566787 2982514 C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=C(C=C(C=C3)Cl)Cl)N4CCOCC4 1 2.475 6 3 0 -8.28259818924609 2982509 COC1=CC=CC(=C1)NC2=NN=C(C=C2)N3C=CN=C3 1 1.856 5 1 0 0.376294458601244 2982502 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3CCCO3)OC 1 1.59 2 5 0 -21.076544428764 2982475 CC1=C(C=CC(=C1)S(=O)(=O)NC2CCCCC2)OCC(=O)NCC3CCCO3 1 2.487 2 5 0 -20.0853077686675 2982470 CC1CC2=CC=CC=C2N1C(=O)C3=CC4=C(C=CC(=C4)OC)OC3=O 1 3.286 1 4 -11.5720490213139 2982458 C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)N4CCOCC4 1 2.089 6 3 0 -5.74930516006446 2982429 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)NC(=O)NC4=CC=CC=C4 1 2.085 4 4 0 -3.10711859039722 2982428 COC1=CC=CC=C1NC(=O)NNC(=O)CCN2CCOCC2 1 4.1e-002 4 4 0 -13.0840561226754 2982425 CC1=CC(=NO1)NC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 4.171 4 3 0 -14.3261014595485 2982423 C1CN(CC2=CC=CC=C21)C(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=C(C=C5)F 1 4.698 4 1 -14.940495240531 2982420 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)Cl 1 4.308 2 4 -16.2852434281392 2982415 CC1=NC=CN1S(=O)(=O)C2=C(C=CC(=C2)C(C)(C)C)OC 1 2.719 2 3 -2.37044797689551 2982406 CC(COC)NC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.642 3 2 -8.48120826627025 2982400 CC1=CC=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O 1 4.006 2 3 -12.6874705653726 2982379 CC1=CC(=NC2=CC(=NN12)C(=O)NC3=CC4=C(C=C3)OCO4)C 1 1.649 4 3 0 -16.1791107281955 2982367 CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CN4CCSCC4 1 1.404 3 5 0 -22.4600181984482 2982352 CCOC(=O)COC1=C(C=C(C=C1)Cl)C2C(=C(NC(=O)N2)C)C(=O)C 1 1.643 2 5 0 -32.0211410446627 2982341 CCOC1=C(C=C(C=C1)[N+](=O)[O-])CNC2CCCCCCC2.Cl Cl- 1 4.365 2 3 -1.35697662428101 2982336 CC(C)N1C(C(=O)N(C1=S)CC2=CC=CS2)CC(=O)NC3=CC=C(C=C3)OC 1 3.728 3 3 -12.700255330032 2982332 CC1=C(C=C(C=C1)C(=O)NCC=C)Br 1 2.889 1 1 -9.62073485407324 2982325 C1CCCC(CC1)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 4.103 2 3 -15.2147661792744 2982322 COC1=C(C=CC(=C1)CNCCC2=CNC3=CC=CC=C32)OCC4=CC=CC=C4F.Cl Cl- 1 5.322 2 2 -6.66632166808132 2982288 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)OC 1 1.511 3 6 0 -15.8104368680794 2982284 CC1=C(C(=NN1C(C)C(=O)N2CCC3=CC=CC=C32)C)[N+](=O)[O-] 1 2.203 4 3 0 -10.1703767486824 2982280 CC(C)C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)NC(=O)C2=CC=CC=C2 1 2.813 2 4 -17.0729844022963 2982275 C1CCN(C1)C(=O)C2=NN3C(=CC(=NC3=C2)C4CC4)C(F)(F)F 1 2.817 4 1 -15.0552835334403 2982268 CCOC1=C(C=C(C=C1)C(=S)NC2CCCCC2)OCC 1 4.654 1 2 -9.32043656554875 2982265 CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4)OCCO 1 2.123 1 5 -23.8862399486598 2982260 CC1(C2(CCC1(OC2=O)C(=O)NC3=C(C=CC(=C3)Cl)OC)C)C 1 3.176 1 4 -9.02959362595281 2997107 CC1(CC2=C(C(CC(=O)N2)C3=CC(=CC=C3)F)C(=O)C1)C 1 2.213 1 2 -14.9947759713408 2997104 C1CN(CCC1NC2CC(=O)NC2=O)C(=O)C3=CC(=CC=C3)F 1 -6.3e-002 3 3 0 -6.92013563229738 2997099 COC1=C(C=CC(=C1)CNCC2=CC=CC=N2)OCC3=CC(=CC=C3)Cl.Cl Cl- 1 4.23 2 2 -1.42575159093701 2997098 CC1=CC=C(C=C1)C2=NOC(=N2)CNC(=O)COC3=CC=CC=C3C 1 3.012 3 3 -3.63716089793264 2997090 CCOC(=O)CC1C(=O)NCCN1CC2=CC(=CC=C2)OC 1 1.205 2 4 0 -27.3266472327867 2997085 C1CC2=C(C(CC(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)C1 1 1.318 1 4 0 -17.0650911967047 2997076 CN1C(=NN=N1)SCCNCC2=CC=CC3=CC=CC=C32.Cl Cl- 1 2.318 5 0 -7.93377652757549 2997073 CC1CCCC1OC(=O)C2=C(C3=C(N2)CCCC3=O)C 1 3.669 1 3 -12.5666426068254 2997067 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3CCN(CC3)C(=O)C4=CC=CS4 1 1.8 3 4 0 -12.4767633549089 2997057 CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)Cl)C(=O)N4CCOCC4 1 3.142 2 3 -9.521497486767 2997055 COC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CC=CO3)OC 1 1.711 1 4 0 -12.1290098299582 2997027 CCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)N(C)C)C 1 3.743 2 3 -12.2628044029132 2997006 CC1=C(C(CC(=O)N1)C2=CC=CC=C2OC)C(=O)OC(C)C 1 2.022 1 4 -21.436326156915 2997005 CCOC1=CC=CC=C1C2CC(=O)NC3=C2C(=O)CC(C3)(C)C 1 2.34 1 3 -20.4838744728659 2996992 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)O 1 2.171 3 5 0 8.31381799944948 2996986 C1CN(CCC1(C#N)C2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5 1 2.584 3 4 0 1.42196096966671 2996975 CC1=CC=C(C=C1)CN2CCNC(=O)C2CC(=O)O 1 -1.902 2 3 0 -25.294644759954 2996969 CC1=NC2=C(C=C1)C(=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)OC 1 3.05 2 3 -10.5087208218986 2996961 CC1=NC2=C(S1)N(C3=CC=CC=C32)CCN4CCCCC4.Cl Cl- 1 3.607 3 0 3.01135378302693 2996953 C1=CC=C(C=C1)C#CCNCCC2=CC=C(C=C2)S(=O)(=O)N.Cl Cl- 1 2.568 2 2 -2.77803827719977 2996952 C1=CC=C(C=C1)C2=NOC(=N2)CNC(=O)NC3=CC=C(C=C3)F 1 2.318 4 2 0.528592658259779 2996949 C1=CC=C(C=C1)C(CNCC2=CC=NC=C2)O.Cl Cl- 1 1.289 2 1 0 -0.388310974452517 2996944 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F 1 2.619 3 4 0 7.14582091377559 2996937 CCOC1=C(C=C(C=C1Cl)CNCC(C2=CC=CC=C2)O)OC.Cl Cl- 1 3.42 1 3 -4.31124191087939 2996936 CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)C#N)F 1 2.078 4 2 -8.00376250290372 2996932 CN(C)S(=O)(=O)N1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl 1 1.441 4 2 0 -11.7839160309561 2996931 CCN(CC)CCN1C2=C(C=C(C=C2)F)C3=C1SC(=N3)C.Cl Cl- 1 3.593 3 0 4.79800821904034 2996926 CC1CN=C(S1)NCC2=CC=CC=C2Cl 1 3.279 2 0 -7.04519268634479 2996925 COC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CN=CC=C3)OC 1 1.376 2 3 0 -8.42345496373289 2996917 CN1C(=NN=N1)SCCNCC2=C(C(=CC=C2)OC)OC.Cl Cl- 1 1.377 5 2 0 -12.2169302822658 2996895 C1COC2=C(O1)C=C3C(CC(=O)NC3=C2)C4=CSC=C4 1 2.007 1 3 -8.94908080573535 2996883 C1=CC(=CC=C1C2=NOC(=N2)CN)Cl 1 1.183 3 1 0 4.45543059079014 2996872 CCOC1=C(C(=CC(=C1)CNCC2=CC=CC=N2)Cl)OC.Cl Cl- 1 2.996 2 2 -1.99953465491203 2996871 CCOC(=O)CC1C(=O)NCCN1C2CCCC2 1 1.04 2 3 0 -28.8268816008453 2996868 COC1=CC(=CC(=C1)CN2CCNC(=O)C2CC(=O)O)OC 1 -2.421 2 5 0 -29.1316277391163 2996853 CC1CCC(CC1)OC(=O)C2=C(C3=C(N2)CCCC3=O)C 1 4.058 1 3 -14.4356472098736 2996835 CC(=O)C1=CC(=CC=C1)OCCCOC2=CC=CC3=C2N=CC=C3 1 3.434 1 3 -8.1664880737211 2996815 COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=O)N3CCOCC3 1 1.699 2 4 0 -12.4225529526388 2996812 C1CC(=O)N(C1=O)N(CC(=O)C2=CC=CS2)C(=O)C3=CC=CC=C3 1 1.662 2 4 0 -12.0159044528596 2996805 CN(C1=CC=CC=C1)C(=O)C2=CC(=CS2)S(=O)(=O)N3CCOCC3 1 1.578 2 4 0 -16.2181066595487 2996750 CC1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC(=O)NC4=CC=CC=C43 1 2.63 3 4 0 -11.304481261586 2996672 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3O 1 3.583 2 3 -5.76319743220533 2996647 C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3F 1 1.578 2 4 0 -17.0521444203419 2996629 C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3O 1 2.425 3 3 -10.6819119269264 2996623 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3CC3 1 2.476 2 3 -10.0323018931822 2996596 CC1=C(C=CC(=N1)NC(=O)C2=CC3=C(C=C2)OCCO3)Br 1 2.82 2 3 -6.9626883631316 2996589 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCCO4 1 2.25 2 4 -9.70568889641571 2996580 CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC=CN2C 1 2.459 3 2 -8.41697895419295 2996578 CN1CCN(CC1)CCOC2=CC=C(C=C2)C3=CC=CC=C3.Cl Cl- 1 3.427 2 1 8.30202381988755 2996577 C1CC(OC1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC=CO3 1 1.463 2 4 0 -14.5216890290852 2996570 C1CCN(C1)C(=O)CSC2=NC=C(C(=N2)N)C#N 1 0.512 5 1 0 -11.8686129812622 2996559 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.652 3 4 0 -3.49715532934962 2996556 CCN1C(=NN=C1SCC(=O)N2CCOCC2)CC(=O)NC3=CC=C(C=C3)C 1 1.497 5 3 0 -21.8975923466754 2996537 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4 1 2.52 3 3 -4.30706483513104 2996527 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Br 1 3.606 2 2 -5.43186722006514 2996514 CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)C 1 4.721 3 1 -9.3089284487512 2996512 CC1=CC=C(C=C1)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCOCC3 1 1.859 2 4 0 -15.8876030681057 2996506 CC(=O)OC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 2.257 2 4 -14.3724929284637 2996500 C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3 1 2.492 2 2 -6.63934701422041 2996499 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCOCC3 1 1.112 2 5 0 -18.5984048954485 2982245 CC(C(C1=CC=CC=C1)O)NCC2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 4.146 1 1 1.75944569032255 2982241 C1=CC=C(C(=C1)C#N)NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-] 1 2.17 4 3 0 -13.8421094232613 2982240 CC(=O)OC1=CC=C(C=C1)NC(=O)CSC2=NC(=NS2)SC 1 2.708 3 3 -12.246491256916 2982231 CC(C(C1=CC=CC=C1)O)NCC2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl.Cl Cl- 1 5.049 1 2 1.59438071504221 2982218 CC1=C(C(=NN1C(C)C(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-])Br 1 3.215 4 3 0 -8.23216135972657 2982211 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)N3CCOCC3 1 -1.015 4 4 0 -15.7848916109617 2982208 COC1=C(C(=CC(=C1)CNCCC2=CC=CC=C2)Cl)OCC3=CC=CC=C3.Cl Cl- 1 5.487 1 2 -1.85688205000352 2982206 C1CCC(CC1)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3 1 4.463 1 2 -8.22957868229288 2982204 CC1CCC(CC1C)N(CCCN)CC2=CC=CO2 1 2.68 2 1 3.03379553668673 2982199 CCCC1=C(C(NC(=O)N1)C2=CC(=CC(=C2OCC3=CC=CC=C3)OC)Cl)C(=O)OCC 1 4.608 2 5 0 -20.5677129380212 2982191 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.92 2 3 -1.77560421887414 2982188 CCOC1=C(C=C(C=C1)Br)C2=NOC(=N2)C3=CC=CS3 1 4.179 2 2 -0.15588996692764 2982183 C1CN(CCN1CCC(=O)NNC(=O)NC2=CC(=CC=C2)Cl)CC3=CC=CC=C3 1 2.575 5 2 0 -0.959462107233407 2982180 CC1(C2(CCC1(OC2=O)C(=O)NCCCN3C=CN=C3)C)C 1 0.755 3 3 0 -10.646288482982 2982170 CC(C)(C)C(=O)N(CCN(CC1=CC=CC=C1)C(=O)C(C)(C)C)CC2=CC=CC=C2 1 5.237 2 2 -6.8992821641112 2982169 CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C(C)(C)C)C 1 3.068 3 2 -17.1051203348963 2982164 CCOC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=CO2 1 1.402 2 4 0 -11.6782099638828 2982163 CC1=CC=CC=C1NC(=O)NNC(=O)OC(C)(C)C 1 2.176 3 3 -11.5922968777538 2982146 C1COCCN1C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 2.38 2 3 -10.9013206857659 2982135 CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)SC3=NC(=O)C=C(N3)C 1 3.57 4 3 0 -18.5708807338946 2982122 COC1=C(C=C(C=C1C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)Cl)Cl 1 4.665 2 3 -4.38876233632022 2982117 CCC1CCCCN1C(=O)C2=NN3C=CC=NC3=C2Cl 1 2.428 4 1 -8.91095740240286 2982114 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C(=CC=C3)Cl)N4CCOCC4 1 2.873 4 5 0 -5.91345642914496 2982110 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CSC3=NC=CN3C 1 1.873 4 4 0 -25.0589871283169 2982106 COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC(=CC=C2)OC)OC 1 1.625 2 5 0 -15.6805543973351 2982104 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CO2 1 2.768 4 4 0 -14.7426051508394 2982092 CC1=C(C(=NN1C(C)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)C)[N+](=O)[O-] 1 2.971 5 3 0 -19.6211442679423 2982085 C1CC(OC1)N2C=C(C(=O)NC2=O)Br 1 -8.3e-002 2 3 0 -9.68152947780461 2982076 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CNCC3=CC=C(C=C3)F 1 2.351 4 5 0 -22.5288710376998 2982072 C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CNCCC3=CC=C(C=C3)S(=O)(=O)N.Cl Cl- 1 4.209 2 3 -0.433214607005905 2982062 COC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.856 2 4 -18.3044546722146 2982055 C1CN(CCN1C2CC(=O)N(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)C5=CC=NC=C5 1 2.905 4 3 0 0.800686590528315 2982052 CCN(CC(=O)N1CCC(CC1)C(=O)N)S(=O)(=O)C2=CC=C(C=C2)Cl 1 0.7 3 4 0 -12.5189364100407 2982039 CCCC(=O)NC(=S)NC1=CC=CC2=C1C=CC=C2O 1 3.891 2 2 -9.78405021916666 2982037 CC1CC2=NC(=NC=C2C(=O)C1)NC3=NC4=CC=CC=C4C(=N3)C 1 2.627 5 1 -9.04320675273961 2982024 COC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)NC3=C(C(=CC=C3)Cl)Cl 1 2.454 3 4 0 -26.8117681362508 2981999 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OCC(=O)OC)OC)C(=O)NCC3=CC=CC=C3 1 1.675 3 6 0 -40.9572621278597 2981985 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3 1 2.329 2 4 -19.5738933267606 2981981 COC1=CC=C(C=C1)C2=CC=C(N2CC3CCCO3)CCC(=O)O 1 3.272 1 4 -14.485166645598 2981974 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F)C(=O)C4=CC=CO4 1 3.137 4 3 0 -6.19617614285444 2981969 C1=CC=C2C(=C1)N(C(=N)N2CC(=O)N)CCCOC3=CC=CC=C3Cl.Cl Cl- 1 2.372 4 2 -2.96454268176457 2981957 CC1=CC=C(O1)CCC(=O)NC2=CC=C(C=C2)N(C)C 1 2.387 2 2 -9.56944114811342 2981942 CC(C(=O)NCC1CCCO1)N2C=C(C=N2)[N+](=O)[O-] 1 0.277 4 4 0 -13.930904576587 2981941 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3 1 2.79 3 3 -5.77222251009267 2981931 CCN1CCN(CC1)CC(=O)N2C3=C(CC(CC3)C)C4=CC=CC=C42 1 4.06 3 1 -3.13194329119498 2981926 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C5=CN=CC=C5 1 2.882 4 4 0 2.12143506244261 2981912 C1CN(CCN1CC2=CC=CC=C2)CC(=O)N3C(CC=N3)C4=CC=CC=C4 1 2.546 4 1 0.311227423820884 2981904 CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NN=C(S3)C(C)(C)C 1 3.124 3 3 -9.32427547319583 2981900 CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C 1 5.606 2 3 -8.56603551986776 2981899 C1CC1C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=C(C=CC(=C4)Br)O 1 3.316 4 2 -6.61323379064088 2981895 C1CCC(CC1)NC(=S)C2=CC3=C(C=C2)OCO3 1 3.758 1 2 -5.3853955430358 2981882 C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC(=O)C4=CC=CC=C4N3)Cl 1 3.181 4 3 0 -13.0123719142636 2981876 C1CC2CC1CC2NC(=O)NC3=CC(=CC=C3)Cl 1 3.212 2 1 0.555626663579223 2981868 C1COCCN1CC(=O)NNC(=S)NC2=CC=C(C=C2)Cl 1 1.968 4 2 0 -8.53078301477385 2981865 CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl)C 1 2.83 4 2 -10.6198280325698 2981857 C1C(ON=C1C2=CC=C(C=C2)F)C(=O)O 1 1.432 1 3 0 -3.53140041091958 2981851 C1CC2CC1CC2NC(=O)CSC3=NN=C(O3)C4=CC=CO4 1 2.269 3 3 -12.2553926326877 2981848 CCOC1=C(C=CC(=C1)CNCC2=CC=CC=N2)OCC(=O)NC3CCCCC3.Cl Cl- 1 3.249 3 3 -12.5339850935383 2981839 C1C(CN(C1=O)NC(=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3F 1 2.002 2 4 -10.003539082971 2981836 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)C4=CC=C(C=C4)F 1 2.45 3 6 0 -21.235958695457 2981834 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CN3CCC4=CC=CC=C43 1 3.614 3 3 -27.0784938532497 2981828 C1CCN(C1)S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)N(C4=O)C(=O)C5=CC=CO5 1 2.32 2 5 0 -14.7542672904553 2981825 CC1=CC(=NN1CCCC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 2.032 4 5 0 -19.0176020646792 2981823 CCN(C1=CC=CC=C1)C(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 2.253 4 2 -14.1701497710109 2981819 CC1=CC2=C3C(=C1)C(=CC(N3C(=O)C24N(C(=O)CS4)C5=CC=C(C=C5)F)(C)C)C 1 4.385 2 2 -3.39725916817516 2981812 CC(C(=O)NC1=CC=CC=C1)SC2=NC(=NC(=N2)N(C)C)N3CCOCC3 1 1.943 6 2 0 -10.1245965087221 2981801 COC1=CC(=C(C=C1NC(=O)C2=NN3C(=CC(=NC3=C2)C4CC4)C(F)(F)F)OC)Cl 1 4.359 4 3 0 -20.0837583216594 2981797 CCCCNCC1=CC(=C(C(=C1)Br)OCC(=O)NCC2=CC=CC=C2)OC.Cl Cl- 1 4.055 2 3 -13.7877918735275 2981795 CC1=C(C=CC(=C1)S(=O)(=O)NC2CCCCC2)OCC(=O)NCC3=CC=CC=N3 1 2.777 3 4 0 -17.5831523332008 2981794 COC1=CC=CC(=C1)NC(=O)CN2C(=CC=C2C3=CC=C(C=C3)Cl)CCC(=O)O 1 4.214 2 4 -7.47798674429969 2981791 CC1=C(C=CC(=C1)S(=O)(=O)NC2CCCCC2)OCC(=O)N3CCOCC3 1 2.022 2 5 0 -15.2421852905333 2981779 CC1=CSC(=N1)NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-] 1 1.57 4 3 0 -12.5598949198069 2981778 CC1=C(C=CC(=C1)CSCCC2=NNC(=S)N2CC=C)OC 1 3.837 3 1 -11.8310795325477 2981777 CC(C)N1C(C(=O)N(C1=S)CC2=CC=CO2)CC(=O)NC3=CC=C(C=C3)OC 1 3.17 3 4 0 -13.7058800972531 2981774 COC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)N3CCN(CC3)C4CC(=O)NC4=O)F 1 2.456 3 4 0 -3.30463203516267 2981769 COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N3CCOCC3 1 1.514 4 3 0 -8.57558651991292 2981764 CC1=C(C(=NN1C(C)C(=O)NC2=NC=CS2)[N+](=O)[O-])Br 1 1.925 5 3 0 -5.85453427516365 2981762 CCCN1C(=C(C(C1=O)(C(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)N)C(=O)OC)C 1 1.321 3 5 0 -8.35473915166726 2981754 C1CC(=O)N(C(=O)C1)N(CC2=CC=CC=C2F)C(=O)C3=CC=CC=C3Cl 1 3.362 2 3 -4.50775339026793 2981753 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCC3CCCO3 1 1.869 2 4 0 -22.1675382895528 2981751 CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br)C 1 3.819 4 2 -7.62207724833713 2981748 CC1=C(N=CC=C1)NC(=S)NCC2=CC=CO2 1 3.152 3 1 -7.32101661884797 2981744 CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)NC3=CC=CC(=C3)C 1 5.174 2 3 -8.78354708862538 2981742 C1COCCN1C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4 1 0.471 2 5 0 0.834175608565003 2981741 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N 1 0.583 2 3 0 -9.22271221615656 2981740 C1CC(CN(C1)C(=O)NC23CC4CC(C2)CC(C4)C3)CO 1 1.735 2 2 0 -5.14250395510663 2981737 CC1=C(C(=NN1C(C)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])Br 1 2.696 4 5 0 -9.56747183381399 2981727 CC1=C2C(=NN=C(C2=C(N1C(C)C3=CC=C(C=C3)OC)C)C)C 1 3.22 3 1 -1.45435158476138 2981721 COC1=C(C=C(C=C1)[N+](=O)[O-])NC2CCN(CC2)C(=O)C3=CC=CS3 1 2.504 3 4 0 -12.7674473065509 2981704 COC1=CC=C(C=C1)CCNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.729 3 4 0 -8.100927770114 2981695 COC1=CC=CC=C1OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.339 2 5 0 -10.8863116640274 2981691 CCNC(=O)CC1C(=O)N(C(=O)N1CCOC)C2=CC(=CC=C2)OC 1 0.473 3 5 0 -19.9983418009767 2981677 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCC3=CC=CO3 1 2.275 2 4 -20.1342599418941 2981650 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)NC3=CC=CC=C3 1 1.383 4 4 0 -26.3806513544203 2981638 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3C4=CC=CC=C4N=C3CCCCO 1 2.845 3 4 0 -1.66455750703169 2981635 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSC4=NC=NN4 1 2.325 4 2 -8.55603612330989 2981624 CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CN3CCN(CC3)C)C(=O)OC 1 1.784 4 3 0 -16.0401130523135 2981618 CC(C)(C)NCC1=CC(=C(C=C1)OC)Cl.Cl Cl- 1 2.946 1 1 -3.41360015345594 2981607 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 1.904 3 5 0 -19.316843426965 2981604 CC1=C(N(N=C1C)CC(COC2=CC3=C(CCC3)C=C2)O)C 1 3.572 2 2 -2.38254220427775 2981591 CN1C(=NN=N1)SCCNCC2=CC=CC=C2OCC3=CC=C(C=C3)F.Cl Cl- 1 3.182 5 1 -10.6477701840657 2981565 C=CCOC1=CC=CC=C1CNCCC2=CC=C(C=C2)S(=O)(=O)N.Cl Cl- 1 2.578 2 3 -8.68935005496447 2981563 C1=CC2=NC=CN=C2C=C1C(=O)NCCCN3C=CN=C3 1 0.306 5 1 0 -5.05143262625088 2981561 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)C4=NN=CN4CC 1 2.187 5 3 0 0.166530480685501 2981559 CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC(=CC=C3)OC)OC1=O 1 2.024 2 5 0 -2.80519165522301 2981556 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3CCN(CC3)C(=O)C4=CC(=CC=C4)Cl 1 2.511 3 4 0 -4.32368370372089 2981553 CCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=C(C=C3)C 1 2.816 3 3 -11.5694760776183 2981536 CCOCCOC1=CC=CC(=C1)C(=O)NC(C2=CC=CC=C2)C(C)C 1 4.043 1 3 -14.0590608202578 2981533 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)NC4=CC=C(C=C4)F 1 2.855 3 4 0 -2.36969726856855 2981526 CCCC(C)NC(=O)C1=CC=CC=C1SC 1 3.286 1 1 -16.0319236738992 2981519 CC1=C(C=NC2=C(C=NN12)C(=O)O)C(=O)C 1 -0.245 3 3 0 -10.9448053497803 2981518 CC1=CC=C(C=C1)N2C(=O)C(N(C2=O)CCC3=CC=NC=C3)CC(=O)NC4=CC(=CC=C4)F 1 3.293 4 3 0 -10.819542006369 2981516 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC 1 2.395 5 4 0 -13.4100013052636 2981505 CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC 1 3.868 1 5 -18.1105373874137 2981504 CC1(C2(CCC1(OC2=O)C(=O)NC3=C(C=CC(=C3)OC)OC)C)C 1 2.495 1 5 -11.3097146635162 2981499 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=NC=C3 1 1.178 3 4 0 -19.2830828727571 2981492 CCOC1=C(C=C(C=C1Br)CNC2CCCCCCC2)OC.Cl Cl- 1 5.202 1 2 -1.53872906115273 2981484 CCOCCOC1=CC=CC(=C1)C(=O)NC(C)C2=CC3=CC=CC=C3C=C2 1 4.108 1 3 -12.0467288652561 2981480 COC1=CC(=C(C=C1)OC)N2CC3=CC=CC=C3C2=N.Br Br- 1 2.595 2 2 -2.55273931409505 2981472 CCCOC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)C3=CC=CC=C3)C(=O)C)OCC 1 3.363 2 4 -24.7868762275517 2981449 COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.893 1 4 -13.0634185386408 2981447 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C 1 2.175 3 3 -7.34249793612528 2981446 CCOC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C3=O)NC5=C2C(=O)N=C(N5)N 1 2.259 4 3 0 -14.6950051502006 2981443 CC1=C(C2=C3C(=C1)C(=CC(N3C(=O)C24C(=C(OC5=C4C(=O)CC(C5)(C)C)N)C#N)(C)C)C)C 1 3.413 3 3 -12.8513882431427 2981440 CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)N)C3=CC=C(C=C3)F 1 1.801 3 5 0 -13.7070658463512 2981436 CC1CCC2=C(C1)C3=CC=CC=C3N2C(=O)CSC4=NC=CC(=N4)C 1 4.831 3 1 -9.19696194203941 2981432 CC1(C2(CCC1(OC2=O)C(=O)N(C)C3=CC=CC=C3C(=O)OC)C)C 1 2.589 1 5 -13.4340994321474 2981431 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)OC1=O 1 1.124 2 4 0 -12.0822010251894 2981419 CC(CCC1=CC=CC=C1)NC(=O)C(=O)NCC(C)CC2=CC=CC=C2 1 4.146 2 2 -7.59410434183767 2981414 CC1(C2(CCC1(OC2=O)C(=O)NNC(=O)C3=CC=CC=C3)C)C 1 1.785 2 4 0 -12.5027344227761 2981403 CCOC(=O)COC1=C(C=C(C=C1)Br)C2C(=C(NC(=O)N2)C)C(=O)NCC3=CC=CC=C3 1 2.789 3 5 0 -37.1014172107782 2981386 C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C=C(C=N3)[N+](=O)[O-] 1 1.269 5 3 0 -9.04578780491474 2981382 CC(C)(C)NC(=O)CSC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC 1 1.418 5 4 0 -26.5778404183789 2981373 CC1CC2=C(C(=NC(=N2)NC3=CC=CC(=C3)C(F)(F)F)C)C(=O)C1 1 3.49 3 1 -0.488035775211895 2981360 CC1=C(C(=NN1C(C)C(=O)NC2=NC=C(C=C2)Cl)C)[N+](=O)[O-] 1 1.975 5 3 0 -3.43818539049499 2981355 COC1=C(C(=C2C(CC(=O)NC2=C1)C3=CC=C(C=C3)C(=O)OC)OC)OC 1 2.365 1 6 0 -11.5619052786282 2981354 CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)F)C(=O)C=C(S2)C(=O)OC)C 1 2.995 2 5 0 -23.5243926218162 2981351 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.272 3 4 0 -10.4095947987372 2981294 CCC(=O)C1=CC=C(C=C1)OCC(CN(CCC2=CC=CC=C2)CC3=CC=CC=C3)O.Cl Cl- 1 5.336 1 3 -4.04957009971216 2981302 CN(C)CCCNC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2O 1 2.772 2 2 -9.99231451928069 2981304 C1CN(CCN1C2CC(=O)N(C2=O)CC3=CC=CS3)C4=CC=C(C=C4)O 1 2.15 3 3 4.77647912736152 2981306 C1CN(CCC1C(=O)N2CCOCC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Cl 1 1.254 3 4 0 -1.04347428020396 2981348 CC1=C(C(=NN1C(C)C(=O)NC2=CC3=C(C=C2)OCO3)C)[N+](=O)[O-] 1 1.691 4 5 0 -9.7133152573705 2981347 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4 1 2.195 4 4 0 -18.5062831267449 2981337 CC1=CC=CC=C1NC(=O)CC2C(=O)NCCS2 1 1.179 2 2 0 -19.8339141739556 2981336 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=CC=N4 1 2.117 8 1 0 2.54864285149079 2981331 C1=CC(=CN=C1)C(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC=CS4 1 2.31 5 2 0 -5.47884787123423 2981287 CCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)N2CC(OC(C2)C)C 1 3.402 1 4 -14.1845196394681 2981282 CC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C4(C2=N)CCOCC4.Br Br- 1 2.51 2 2 -8.6534847818355 2981281 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NCC2=CC=CO2 1 2.768 2 4 -21.022933610233 2981278 COC1=C(C=CC(=C1)CNCCN2CCOCC2)OCC3=CC(=CC=C3)Cl.Cl Cl- 1 3.409 2 3 -3.90046912483557 2981275 CC(C(C1=CC=CC=C1)O)NCC2=CC(=CC=C2)OCC3=CC=CC=C3.Cl Cl- 1 4.385 1 2 -1.49297180385679 2981274 C1=CC=C(C=C1)NC(=O)NNC(=O)COC2=CC=CC3=C2N=CC=C3 1 1.801 4 3 0 -12.871264734476 2981270 CCN1C(=O)CC(C1=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4 1 2.821 3 3 0.577279245506832 2981258 C1C(CC(=O)C2=C1NC3=CC=CC=C3N=C2)C4=CC=CC=C4 1 3.148 2 1 -15.6166147749942 2981241 COC1=CC=CC(=C1OCC2=CC=CC=C2)CNC34CC5CC(C3)CC(C5)C4.Cl Cl- 1 5.061 1 2 0.699824161298493 2981237 CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3N2)N 1 3.01 3 0 8.98104785783665 2981214 CC1(C2(CCC1(OC2=O)C(=O)NCCC3=CC(=C(C=C3)OC)OC)C)C 1 2.823 1 5 -15.5001194390235 2981210 CC1(CC(C2=CC=CC3=C2N1C(=O)C34C5=C(C=C(C=C5)O)OC(=C4C#N)N)(C)C6=CC=CC=C6)C 1 4.104 3 3 -5.43738885402521 2981199 C1=CC=C(C=C1)CCNCC2=C(C=CC(=C2)Br)OCC(=O)NCC3=CC=CC=C3.Cl Cl- 1 4.647 2 2 -7.45878503391128 2981194 C1CN(CCC1C2=NC3=CC=CC=C3O2)C4CC(=O)N(C4=O)C5=CC=C(C=C5)Cl 1 3.603 3 3 11.119499813195 2981191 CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3CCCO3 1 2.817 4 4 0 -10.8589243040628 2981181 CC1=C(C(=NN1C(C)C(=O)NC2=CC=C(C=C2)NC(=O)C)C)[N+](=O)[O-] 1 1.043 5 4 0 -9.94666342886187 2981176 CN(C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.142 3 3 -5.47611908484606 2981172 CCOC(=O)C1=C(NC(=O)NC1C2=C(SC(=C2)C)C)C 1 1.366 2 3 0 -28.2412988895383 2981167 C1=CC(=CC=C1NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=NC=C3)C4=CC=C(C=C4)Cl)F 1 4.895 4 2 -10.2919391654889 2981159 CCOC(=O)C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.722 2 6 0 -21.3196754064193 2981158 C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S 1 4.474 2 1 -1.25434266846227 2981149 CC1=CC(=C(C=C1)NC(=O)CC2C(=O)N3CCCN=C3S2)C 1 2.385 3 2 -14.7263972869659 2981148 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3C4=C(CCCCC4)C(=N3)C(F)(F)F 1 5.626 4 1 -22.1096592050906 2981146 CC1=CC(=CC=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3 1 3.432 4 2 -26.7803358586102 2981137 C1CN(CCN1CC(=O)N2C(CC=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 2.84 4 1 2.40789295338516 2981134 CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 0.886 6 4 0 -12.6860816728103 2981130 CCOC(=O)CC1=CC(=O)N2C(=N1)C(=CN2)C3=CC(=CC=C3)Br 1 1.497 3 3 0 -5.74375730792633 2981107 C1=CC=C(C=C1)NC2=NN=C(C=C2)N3C=CN=C3 1 1.872 5 0 0 -0.116840116848223 2981106 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3)[N+](=O)[O-] 1 1.576 5 5 0 -13.4901192924327 2981105 COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NCCS2)C(=O)OC 1 0.404 2 6 0 -22.5599447476034 2996439 C1=CC2=C(N=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CO4 1 3.17 3 3 3.38338510362812 2996437 CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4O3 1 2.588 3 3 -1.71104598701145 2996422 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NCC2CCCO2 1 1.144 3 3 0 -23.8792222892866 2996412 CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC=CC=C3 1 2.862 3 3 -4.82767694294401 2996376 CC1CCCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C 1 3.809 2 2 -11.4926874573631 2996367 CC1=CC(=C(C(=C1NC(=O)C2CCCO2)C)NC(=O)C3CCCO3)C 1 2.195 2 4 -11.8494922018427 2996341 C1=CC=C(C(=C1)CO)OCCCOC2=CC=CC3=C2N=CC=C3 1 3.09 1 3 -4.37541897827396 2996334 CC1=CC=C(C=C1)SCCCCN2CCOCC2.Cl Cl- 1 3.326 1 1 -0.918124637454897 2996303 CC(C)(C(=O)NC1=CC2=C(C=C1)OC(=O)C=C2)OC3=CC=C(C=C3)Cl 1 3.98 1 4 -4.68513685108306 2996299 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.212 4 3 0 -16.4341788656142 2996292 C1CCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl 1 1.673 2 3 0 -6.3010058872785 2996252 CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)CC2=CC=NC=C2 1 4.472 3 1 -13.4163193282867 2996247 CC1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C)C 1 3.276 4 3 0 -7.90071627058928 2981094 CC(=O)NC1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)O 1 0.266 4 6 0 -22.6978347939478 2981070 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CO3 1 1.058 2 4 0 -14.3836242026574 2981069 CC1=CC(=CC(=C1)N2C(=O)CC(C2=O)N3C=CN=C3)C 1 1.591 3 2 0 -2.87442890833619 2981068 CC1CCCCN1C(=O)NC23CC4CC(C2)CC(C4)C3 1 3.013 2 1 -7.23981678772816 2981060 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3 1 2.66 3 3 -11.1741368518068 2981051 COC1=CC=CC=C1C2=CC(=NC(=N2)N3CCCCC3)C(F)(F)F 1 4.332 3 1 3.32425469884896 2981050 CCOC1=CC(=C(C=C1)OCC)C2C(=C(NC(=O)N2)CSC3=NN=CN3C)C(=O)OCC 1 2.031 5 5 0 -36.5935207380849 2981039 CC(C1=CC=CC=C1)NC(=O)C2CCC(CC2)C(=O)NC(C)C3=CC=CC=C3 1 4.185 2 2 -9.49289629256933 2981035 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)F 1 2.68 1 5 -10.1616026620927 2981025 CC(C(C1=CC=CC=C1)O)NCC2=CC(=C(C=C2OC)OC)OC.Cl Cl- 1 2.768 1 4 -3.24912979120456 2981021 CCOC1=C(C=C(C=C1)C2=NOC(=N2)COC)OC 1 1.533 2 4 0 -1.63710543719428 2981009 C1CC(OC1)CN2C(=NNC2=S)C3=CC=CC=C3 1 2.46 3 1 -9.29415178288673 2980995 C1CN(CCN1CC2=NN=C(O2)C3=CC=CC=C3)C(=O)C4=CC=CO4 1 1.672 4 3 0 -3.82245664623552 2980990 C1CCC(CC1)C(=O)NC2(C(=O)N3CCSC3=N2)C(F)(F)F 1 3.048 3 2 -6.63404286345819 2980985 CC(C)(C)C(=O)NNC(=O)COC1=C(C2=CC=CC=C2C=C1)Br 1 3.245 2 3 -9.36844620638601 2980984 CC1(CC2=C(CO1)SC3=C2C(=NC(=S)N3CC4=CC=CC=C4)N)C 1 4.253 3 1 -11.3015215108996 2980981 COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=C(C(=C(C(=C3F)F)OC)F)F 1 3.583 2 5 0 -8.57980314401725 2980974 C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(S3)N)Cl 1 1.791 5 2 0 -12.2701526606045 2980973 CCOC(=O)CS(=O)(=O)C1=NC(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)F 1 3.677 2 4 -3.58708125286867 2980971 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C3=CC=C(O3)Br 1 3.586 3 3 0.724924024848222 2980963 CCCOC1=C(C=CC=C1OC)C2CC(=O)NC3=CC4=C(C=C23)OCO4 1 3.167 1 5 -7.83017614073017 2980959 C=CCN1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)Cl 1 3.334 3 3 -15.289590622544 2980954 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)C4=CC=CC=C4 1 3.072 4 5 0 -4.76836559558804 2980953 CCC1=CC=CC=C1NC(=O)C2=NN3C=C(C=NC3=C2)Br 1 3.007 4 1 -7.36037932842304 2980952 COC(=O)C1=CC=CC=C1NC(=O)C2=NN3C(=CC(=NC3=C2)C4CC4)C(F)(F)F 1 3.582 4 3 0 -20.9811440579212 2980951 CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CNCCC4=CC=C(C=C4)Cl 1 3.005 3 5 0 -20.2098122323808 2980950 CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC(=O)NCC2=CN=CC=C2)OC 1 0.909 3 4 0 -16.7667603575325 2980948 C1=COC(=C1)C(=O)NN2C(=CC=C2C3=CC=C(C=C3)F)CCC(=O)O 1 3.364 2 4 -5.87991721851944 2980944 CCOC(=O)C1CCN(CC1)CC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC 1 2.13 3 5 0 -2.62474263968213 2980926 CC1=NN2C(CC(=NC2=C1C3=CC=C(C=C3)Cl)C4=CC=CO4)C5=CC=CC=C5 1 5.588 3 1 2.58451905036744 2980923 CC(C)OC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)OC 1 3.094 1 5 -13.9701150587819 2980921 CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.037 2 3 -17.6342351873717 2980920 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3 1 3.647 4 3 0 -11.8304211304161 2980919 CC1=CC=C(C=C1)NC(=O)NN2CCOCC2 1 0.834 3 2 0 -4.91243441436977 2980915 CC1=C(N=CC=C1)NC(=O)C23CCC(C2(C)C)(C(=O)O3)C 1 2.403 2 3 -8.11017297883791 2980907 C1CCC2C(C1)NC(=O)C(N2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)NC4=CC=CC=C4 1 2.467 4 5 0 -18.4214017748172 2980903 CCOC1=C(C(=CC(=C1)CNCCC2=CNC3=CC=CC=C32)Cl)OCC(=O)N.Cl Cl- 1 3.4 3 3 -10.7773796748232 2980895 CCN(CC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.771 2 6 0 -22.3588447352099 2980894 CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 1.461 3 4 0 -9.95848798625639 2980876 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCNC3=CC=C(C=C3)S(=O)(=O)CC 1 2.668 3 5 0 -18.1648843873245 2980875 C=CCN1C(=NNC1=S)CCSCC2=CC=CC=C2 1 3.367 3 0 -13.0148396541386 2980863 COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3CCCCC3 1 3.479 4 2 -9.17529442156942 2980862 CCOC(=O)CNC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31 1 3.073 2 3 -7.19534362786297 2980848 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O 1 1.583 3 6 0 -20.7957043568621 2980841 COC1=C(C=C(C=C1)C2=NOC(=N2)CN3CCCCC3)OC 1 2.371 3 3 1.71631163083299 2980821 CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)Br)C)OC 1 2.862 1 3 -6.76445709074433 2980811 CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C)Cl 1 3.175 5 4 0 -13.3817022445926 2980804 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CCCCC3 1 3.073 2 4 -22.5578841892784 2980797 COC1=CC(=C(C=C1)OC)C2C3CC=CC3C4=C(C=CC(=C4N2)Cl)C(=O)O 1 4.254 1 4 -2.5116537517794 2980796 CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CSC3=NC=CN3C)C(=O)OC 1 2.513 4 3 0 -21.8385945345326 2980792 CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CSCC3=CC=CC=C3)C(=O)OC 1 3.885 2 3 -22.9519331328121 2980791 COC1=C(C(=C(C(=C1F)F)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)F)F 1 3.72 3 3 4.99991368430352 2980789 CC1=CC=C(C=C1)N(C(C)C(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C)S(=O)(=O)C 1 1.67 3 5 0 -9.6478593095455 2980785 CCOC1=C(C=C(C=C1Cl)CNCCC2=CNC3=CC=CC=C32)OC.Cl Cl- 1 4.546 2 2 -5.36404418814889 2980784 C1CSC2=NC(=C(C(=O)N21)C#N)C3=CC=C(C=C3)F 1 2.271 3 1 -5.99880393028148 2980781 COCCNC(=O)C1=NN2C=CC=NC2=C1Cl 1 0.273 4 2 0 -11.8236995653227 2980779 CCOC(=O)C1CCCN(C1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=C(C=C4)C 1 3.643 4 3 0 -13.09232550428 2980777 C1CN(CC=C1C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3 1 3.443 2 1 -5.08258938494568 2980765 COC1=C(C=CC(=C1)C(=S)N2CCCC2)OCC(=O)N 1 1.949 2 3 0 -13.4457158314421 2980758 CCCOC1=CC=CC=C1C2CC(=O)NC3=CC4=C(C=C23)OCCO4 1 3.201 1 4 -10.8228121846996 2980753 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)N 1 1.304 2 3 0 -12.2483032915716 2980748 CC1=NC(=NN1)SCC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4 1 2.468 6 2 0 -9.36689543203207 2980747 CCOC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)F 1 2.862 1 3 -4.95871218935016 2980736 CC(C)COC1=C(C=C(C=C1)Br)CNC(C)(C)C.Cl Cl- 1 4.222 1 1 -6.26773745216436 2980731 CCCSC1=NC(=C2C3=C(CCC(C3)C)SC2=N1)N4C(=C(C=N4)C#N)N 1 4.704 6 0 -14.5536395589732 2980718 CC1=CC(=CC(=C1)OC(=O)N2CCOCC2)C 1 2.459 1 3 -5.18040908005199 2980711 C1=CC=C(C=C1)C(CNCC2=CC(=CC=C2)Br)O.Cl Cl- 1 3.188 1 1 0.289289937998585 2980702 CC1=C(C=CC(=C1)CCNC(=S)NC(=O)C2=CC=CC=C2)OC 1 4.286 2 2 -9.39189558482073 2980696 C1CN(CCN1CC(COC2=CC3=CC=CC=C3C=C2)O)C(=O)N4CCOCC4 1 1.456 3 4 0 -5.50067658158822 2980686 C1COCCN1CCCNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3 1 3.333 4 2 -14.272847918503 2980680 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.83 3 4 0 -6.24252299171859 2980678 CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=NN4C(=CC(=NC4=C3)C)C 1 3.14 6 1 0 -19.4069334104319 2980664 CN(C)S(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC=CC=C2F)C3=CC=CC=C3 1 1.638 4 3 0 -7.69787383346409 2980658 CCC1=CC=CC=C1NC(=O)C(C)N2C(=C(C(=N2)[N+](=O)[O-])Br)C 1 3.87 4 3 0 -7.94240801790479 2980651 CC1=CC(=C(C=C1)C2C(=C(NC(=O)N2)COC3=CC=C(C=C3)F)C(=O)OC)C 1 3.526 2 4 -18.4192377997736 2980648 CN1CCN(CC1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4CC4 1 1.396 5 1 0 -10.4742940858658 2980623 CCN1C(=O)CC(C1=O)N2CCC(CC2)C(=O)N3CCCCCC3 1 1.047 3 3 0 -4.80310626075037 2980621 C1CN(CCC1C(=O)N)C2CC(=O)N(C2=O)CC3=CC=CS3 1 0.237 3 3 0 -2.01553661143072 2980615 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C3=C(C(=CC=C3)OC)OC 1 3.59 3 4 0 -0.735382337929826 2980602 C1=CC(=C(C=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)O)C(=O)O 1 3.034 1 5 -1.34287550308507 2980599 CSC1=NC=C(C(=N1)C(=O)NCC2=CC3=C(C=C2)OCO3)Cl 1 2.766 3 3 -11.0322184384059 2980597 CC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=CS3 1 1.25 5 1 0 -7.64148809482613 2980596 C1CC(OC1)CNC(=O)CN2C=CC(=N2)[N+](=O)[O-] 1 0.331 4 4 0 -21.3320721434697 2980593 COC(=O)C1=C(N(N=N1)C2=NON=C2N)CSCCO 1 9.6e-002 6 4 0 -24.1393705423717 2980586 CNC(=S)NC1=CC=C(C=C1)NC2=CC=CC=C2 1 4.062 3 0 -6.25504623371173 2980579 CNC(=O)CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)Cl 1 0.654 2 4 0 -13.7706083867756 2980574 C1=CN2C(=C(C=N2)C(=O)NC3=NC=C(C=C3)Cl)N=C1 1 0.94 5 1 0 -3.81622720013759 2980573 C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=CC=CC=C3F)N4CCOCC4 1 1.352 6 3 0 -11.3699688967029 2980567 CN1C(=O)C(NC1=O)(C(F)(F)F)NC(=O)C2CCCCC2 1 1.763 3 3 0 -3.70083954945205 2980565 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)O 1 3.072 1 4 2.00379923435793 2980561 C1CCCN(CC1)C(=O)C2CCN(CC2)C3CC(=O)N(C3=O)CC4=CC=CC=C4 1 2.282 3 3 -4.48519472957044 2980555 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.295 6 2 0 -17.974341263628 2980540 CC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 0.621 4 2 0 -12.3374513149304 2980529 CC1CC2=CC=CC=C2N1C(=O)C3=CC4=NC=CN=C4C=C3 1 2.737 3 1 -6.17402562410719 2980522 CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)CC3=CC=CC=C3 1 4.309 4 2 -12.7379152779649 2980511 CSC1=NC=C(C(=N1)C(=O)NC2CCS(=O)(=O)C2)Cl 1 0.922 3 3 0 -14.2377025577998 2980507 C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C=N3)[N+](=O)[O-] 1 1.298 4 3 0 -16.0509618511607 2980490 CC1=C(C(=NN1CCCC(=O)NC2=C(C3=C(S2)CCC3)C#N)C)[N+](=O)[O-] 1 2.6 5 3 0 -25.860383983713 2980479 CC1=C(C(=NN1C(C)C(=O)NCC2=CC=CS2)[N+](=O)[O-])Br 1 2.674 4 3 0 -10.5139380450557 2996230 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C)CN3CCOCC3 1 1.909 5 2 0 -16.9625470641769 2996195 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC(C)C2=CC=CC=C2 1 2.863 1 3 -13.1506821690899 2996190 CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.478 3 2 -1.26532852826178 2980472 C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3 1 3.441 2 2 -13.6571016004597 2980469 COC1=C(C=CC(=C1)CNCC2=CC=CC=N2)OCC3=C(C=CC=C3Cl)Cl.Cl Cl- 1 4.895 2 2 -5.14245473878803 2980460 CS(=O)(=O)N1C(=NC(=N1)NCC2=CC=CS2)NCC3=CC=CS3 1 1.752 5 2 0 -8.54406211023896 2980459 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 4.089 2 2 -13.237835445898 2980405 CC(C)CCN1C(C(=O)N(C1=O)C2=CC(=CC=C2)OC)CC(=O)NC3=CC=C(C=C3)OC 1 3.395 3 5 0 -16.7072761088157 2980412 C1=CC=C(C(=C1)CSC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC(=NC3=O)N)Br 1 1.036 5 5 0 -19.1730175873179 2980415 COC1=C(C(=CC(=C1)CNCC2=CC=CS2)Br)OC.Cl Cl- 1 3.406 1 2 -1.65962880629812 2980451 CC(C)C1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)NC(=O)C)O 1 3.183 3 3 -5.45812010158796 2980440 C1=CSC(=C1)C(=O)NCC(=O)NCC(=O)OCC2=C(C=C(C=C2)Cl)Cl 1 2.67 2 4 -13.3315808050857 2980439 CCC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)NC3=CC=C(C=C3)OC 1 3.64 4 2 -3.37046953167248 2980438 COC1=CC=CC(=C1)N2C(=O)C(N(C2=O)C3CCCCC3)CC(=O)NC4=CC=C(C=C4)F 1 3.895 3 4 0 -12.3030242588182 2980436 CC12CCC3=C(C1=CCC2=O)COC4=C3C=CC(=C4)OC 1 2.995 0 3 -2.01724880588783 2980431 CSC1=NC=C(C(=N1)C(=O)NC2=CN=CC=C2)Cl 1 1.841 4 1 0 -6.55425814018658 2980424 CC(CNCC1=CC=C(C=C1)C2=CC=CC=C2)O.Cl Cl- 1 2.724 1 1 4.19104698194719 2980422 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3 1 4.407 4 3 0 -7.71530710843827 2980403 CCN(CC)C(=O)C1CCCN(C1)C(=O)NC2=CC=CC=C2 1 1.87 3 2 0 -11.8960074704005 2980395 CCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC=CS4)C 1 3.32 3 2 -19.6273638345205 2980394 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=CC=CC=C3Cl 1 3.024 2 3 -11.7885134895784 2980383 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3 1 3.006 5 1 -6.77247823496194 2980382 COC1=C(C=CC(=C1)CNCCO)OCCC2=CC=CC=C2 1 2.7 1 3 -3.024570735391 2980376 CC1=C(C=C(C=C1)N(C(C)C(=O)N2CCN(CC2)C3=CC=CC=C3OC)S(=O)(=O)C)C 1 3.282 3 4 0 -6.79924271035776 2980371 CCOC1=C(C=CC(=C1)CNC(C)(C)C)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F.Cl Cl- 1 4.193 2 3 -9.42730080508004 2980339 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-] 1 2.141 4 4 0 -12.3924507720699 2980336 C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=CC=CC4=CC=CC=C43 1 1.812 5 1 0 -2.50371140480739 2980333 CSC1=NC=C(C(=N1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])Cl 1 2.886 4 3 0 -8.54530124178824 2980329 C1=CC=C(C=C1)C#CCNCC(C2=CC=CC=C2)O.Cl Cl- 1 3.03 1 1 0.907115657440476 2980320 CCCCC(=O)NC1(C2=C(CC(CC2=O)(C)C)N(C1=O)CC(C)C)C(F)(F)F 1 3.295 2 3 -19.1815695038127 2980311 C1CC(OC1)N2C=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)F 1 1.828 2 3 0 -9.43096210241081 2980309 CC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2Br)OCC(=O)N)OC)C3=CC=CC=C3 1 1.744 3 5 0 -27.3377515855659 2980301 CC1CC2=C(C=NC3=CC=CC=C3N2)C(=O)C1 1 2.116 2 1 -11.8888717399031 2980290 COC1=C(C(=CC(=C1)CNCCO)Br)OCC2=CC=CC=C2.Cl Cl- 1 3.127 1 3 -1.13905909437677 2980280 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CNC(C)(C)CC(C)(C)C 1 2.931 4 5 0 -30.8193169473372 2980278 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)C 1 2.931 3 3 -13.9077449018652 2980268 CCOC1=C(C(=CC(=C1)CNCC2=CC=CS2)Br)OCC.Cl Cl- 1 4.104 1 2 -4.51981552136975 2980253 CCOC1=C(C=CC(=C1)CNC2CCCC2)OCC3=CC=CC=C3Cl.Cl Cl- 1 5.333 1 2 -1.99650904923122 2980232 C1CN(CCN1C2CC(=O)N(C2=O)CC3=CC=CS3)C4=NC5=CC=CC=C5S4 1 2.397 4 2 4.3094452325432 2980230 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCC3=CC=CC=N3 1 2.158 3 3 -20.1855268607993 2980222 CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)Br)CNCCCO.Cl Cl- 1 2.745 2 3 -3.93682674498714 2980220 COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.234 3 4 0 -23.7885903108635 2980204 CCOC1=CC=CC=C1C(=S)NC2CCCCC2 1 4.322 1 1 -5.80809056558891 2980192 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=CC=C(C=C2)C 1 2.858 2 3 -18.2700311042095 2980189 C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=C(C=C(C=C3Br)F)F 1 4.711 2 3 -9.30724076191805 2980171 COC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-] 1 3.793 4 6 0 0.537900443088542 2980157 CCOC1=C(C=CC(=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N)OCC(=O)NC(C)(C)C.Cl Cl- 1 2.284 3 5 0 -20.1124252103663 2980147 CC1=CC(=CC=C1)NC(=O)CC2C(=O)NCCN2C(=O)NC3=CC=C(C=C3)Cl 1 2.201 4 3 0 -21.4433676758361 2980145 CCOC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2C 1 3.251 1 3 -11.3387669517808 2980144 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 2.48 3 2 -2.59323565758828 2980137 CC(C(=O)N1CCOCC1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC 1 3.234 3 4 0 -20.1382373246283 2980131 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=CC=CC=C3OC2=O 1 2.085 1 5 -16.0523194400106 2980130 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)C 1 2.894 2 5 0 -13.2744755657348 2980128 CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)COC3=CC=C(C=C3)Cl 1 3.777 2 2 2.43288504422781 2980124 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=CC=C3 1 2.605 3 5 0 -7.73718160716201 2980117 C1C2=CC=CC=C2C(=N)N1NC(=O)C3=CC=C(C=C3)F.Br Br- 1 2.091 3 1 -5.71084254625059 2980113 CC1=C(C(=NN1C(C)C(=O)N2CCCC3=CC=CC=C32)[N+](=O)[O-])Br 1 3.664 4 3 0 -8.4951629982176 2980101 CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C 1 2.791 5 3 0 -6.93588990092611 2980065 CC1(C2CC(C1C(=O)NNC(=O)CC3=CC=CC=C3)C=C2)C(=O)O 1 1.201 2 4 0 -7.70011584630459 2980049 COC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.342 3 5 0 -8.88385081807467 2980043 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCCSC2=CC=C(C=C2)Cl 1 2.804 2 3 -7.67643713498773 2980039 CC1CC2=NC(=NC=C2C(=O)C1)N3CCOCC3 1 0.582 3 2 0 -6.18013497686987 2980034 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)C4=CC=CO4 1 2.01 3 5 0 -13.8887580756985 2980031 CCCCN1C(=O)C(NC1=O)(C(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)N 1 1.586 4 4 0 -4.6632110120703 2980027 CN(C)S(=O)(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O 1 1.444 3 5 0 -22.4187390573199 2980023 CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(C)NC(=O)C3=CC=CC=C3Br 1 4.527 5 3 0 -18.0575461971099 2980001 CC(=O)C1=C(NC(=S)NC1C2=CC(=CC(=C2OCC(=O)O)OC)Cl)C3=CC=CC=C3 1 3.575 2 5 0 -22.3081514749678 2979994 CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.349 2 3 -10.2366405120075 2979988 COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=CC=C3)C(=O)OC 1 0.853 3 7 0 -32.0558827702429 2979985 CNCCCNCC1=CC=C(C=C1)SC.Cl Cl- 1 1.574 2 0 0 4.13971120852056 2979972 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)F)OC1=O 1 2.239 2 4 9.15394313545061e-002 2979971 COC1=CC=C(C=C1)CCN=C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 5.002 2 3 -4.28775050473017 2979969 CCNCC1=CC(=C(C=C1Cl)OCC(=O)NCCC2=CC=CC=C2)OCC.Cl Cl- 1 3.661 2 3 -10.5443610232599 2979961 CC1(C2(CCC1(OC2=O)C(=O)NCC3=CC=CC=C3Cl)C)C 1 3.199 1 3 -12.2824507930516 2979957 CCC(C)N1CC2=CC=CC=C2C1=N.Br Br- 1 2.302 2 0 -3.5549855334521 2979952 C1CN(CCN1CCO)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4.Cl Cl- 1 2.74 4 1 8.94000458921795 2979946 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C(=C(C(=C3F)F)OC)F)F 1 3.466 3 3 -8.27709506913335 2979944 CC(C1=CC=C(C=C1)Cl)N2C(=NNC2=S)C3=NC4=CC=CC=C4C=C3 1 5.342 4 0 -0.271535224608737 2979943 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4)C 1 4.503 4 5 0 -9.37685466442486 2996155 CC(=O)OC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)N3CCCCC3 1 2.713 2 4 -11.4487204243648 2996146 CC1=C(C=CC(=C1)OC(C)C(=O)NC2=CC=CC=C2C(=O)N3CCCC3)Cl 1 3.959 2 3 -13.6576136827006 2996143 CC1=CC=C(C=C1)OCCNC(=O)C2=CC3=C(C=C2)OCO3 1 2.924 1 4 -8.76743035429115 2996126 C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC=CS3 1 2.199 1 2 4.31028559069334 2996108 CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4 1 2.464 3 3 -14.637455414831 2996093 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 1.878 3 5 0 -5.44070996623046 2996088 C1COCCN1C2=C(C=C(C=C2)C(=O)NCC3=CN=CC=C3)[N+](=O)[O-] 1 1.215 4 4 0 -13.802870776007 2996087 CCC1=CC=C(C=C1)NC(=O)COC2=CC3=C(C=C2)OCO3 1 3.16 1 4 -7.1365531248127 2979940 CC(C(C1=CC=CC=C1)O)NCC2=CC=CC=C2C(F)(F)F.Cl Cl- 1 3.76 1 1 0.849479901774061 2979937 CC1=C(C(NC(=O)N1)C2=CC=CC=C2OCC=C)C(=O)NCC3=CC=CC=C3 1 2.601 3 3 -37.6217157765349 2979929 COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2=CC=CC=C2 1 1.907 3 4 0 -32.1638302943127 2979925 C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.105 2 3 -8.11330418417379 2979923 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCCC(C3)C 1 2.456 2 4 -3.0959957030368 2979921 C1=COC(=C1)C(CC(=O)O)NC(=O)C2=CC=CO2 1 1.063 1 5 0 -11.8549880941774 2979898 CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CNCC3=CC=C(C=C3)C 1 3.709 3 3 -19.062633803067 2979895 CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C(=C(C(=C3F)F)OC)F)F 1 2.799 3 3 -6.79080456254384 2979883 C1=CC=NC(=C1)NC(=O)CN2C=C(C=N2)[N+](=O)[O-] 1 0.399 5 3 0 -9.47455269159543 2979873 CCOC(=O)N1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C 1 1.711 3 4 0 0.560469741090942 2979863 CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CNC3CCCCC3 1 3.498 3 3 -19.0502317558157 2979862 CS(=O)(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=CC=C3 1 1.301 5 2 0 -7.38077975022717 2979849 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN(C)C)CC3=C(C=CC(=C3)OC)Cl 1 2.21 6 3 0 -13.8908878257951 2979840 CCCCOC1=CC=C(C=C1)C(=O)CCNC(C(C)CC)C(=O)O 1 1.16 1 4 0 -12.6901403597628 2979816 C1CCC2C(C1)NC(C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4 1 1.372 4 2 0 -9.66774478071854 2979799 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)O 1 2.361 3 5 0 -16.0703789100982 2979796 COC1=CC(=CC(=C1)N2C(=O)CC(C2=O)N3CCC(CC3)C(=O)N4CCCCC4)OC 1 1.786 3 5 0 -4.24636048208152 2979789 C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)CNCC3=CC=NC=C3)F.Cl Cl- 1 4.321 2 1 2.67957077265868 2979775 CCOCCCNCC1=CC(=CC(=C1OCC)Cl)Cl.Cl Cl- 1 3.309 1 2 -1.12814741014215 2979766 CC1=CC=CC=C1NC(=O)N2CCC3=CC=CC=C3C2 1 3.296 2 1 -11.2686557582241 2979757 CC1(C2(CCC1(OC2=O)C(=O)NCC3=CC=CC=N3)C)C 1 1.599 2 3 0 -13.1235649560159 2979755 C1C(CN(C1=O)NC(=O)C2=CC=CC=C2)C(=O)OCC3=C(C=C(C=C3)Cl)Cl 1 3.126 2 4 -6.40114257363092 2979753 C1=CC=C2C(=C1)N(C(=N)N2CC(=O)N)CCCOC3=CC=C(C=C3)Br.Cl Cl- 1 2.456 4 2 -2.11221476896078 2979715 C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CN=CC=C3 1 2.14 5 3 0 -18.0508881044284 2979714 C1=CC=C2C(=C1)N=C3N2C(C=CS3)O 1 2.048 2 1 -1.2992923489644 2979699 CC1=CC(=CC(=C1)N(C(C)C(=O)NCCC2=CCCCC2)S(=O)(=O)C)C 1 3.79 2 3 -13.5189834005721 2979693 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CSC3=NC4=CC=CC=C4S3 1 3.775 4 5 0 -26.8053094360419 2979683 C1=CC(=CN=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)C4=CC=CS4 1 2.31 5 2 0 -8.17549971886234 2979681 C=CCOC1=CC=CC=C1CNCC2=CC=C(C=C2)F.Cl Cl- 1 3.757 1 1 -1.82721576009825 2979668 C1CN(CCN1CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=C(C=C5)F 1 3.806 3 2 3.46914446027954 2979658 CN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3 1 3.64 2 2 -9.46386951994623 2979657 CC1CC2=C(C(=NC(=N2)NCC3=CC=CO3)C)C(=O)C1 1 1.736 3 2 0 -5.90319655312839 2979650 C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=O)C4=CC=CO4 1 4.025 2 2 0.874024675443422 2979648 C1CC2=C(C1)C=C(C=C2)OCC(CN3C=NC4=CC=CC=C43)O 1 3.729 2 2 -2.64249629050479 2996001 CCOC1=CC=CC=C1NC(=O)CSC2=NNC(=O)N2C3=CC=CC=C3 1 3.162 4 3 0 -20.1384506983454 2995980 C1COCCN1CCOC2=CC=C(C=C2)CC3=CC=CC=C3.Cl Cl- 1 3.614 1 2 -0.364217837036792 2995938 CCN1C(=NN=C1SCC(=O)N2CCOCC2)CC(=O)NC3=CC=CC=C3 1 1.011 5 3 0 -22.0542464850487 2979628 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 1.464 3 4 0 -18.810711898795 2979626 CN1C2=CC(=C(C=C2N(C1=O)C)N(C)C)NS(=O)(=O)C3=CC=CC=C3 1 1.754 4 3 0 -10.9216089630971 2979613 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.179 3 2 -5.08833112832727 2979607 CCOC1=C(C=C(C=C1Cl)CNC(C)C(C2=CC=CC=C2)O)OC.Cl Cl- 1 3.798 1 3 -4.2355005202295 2979596 CCN1CCN(CC1)C(=O)C(C)N(C2=CC=C(C=C2)C)S(=O)(=O)C 1 1.489 3 3 0 -7.62658363573129 2979583 C1CCC(C1)NC(=O)CCCC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 3.427 3 2 -5.12056865590308 2979581 CC1=C(C(=NN1C(C)C(=O)NCC2=CC=CC=C2)C)[N+](=O)[O-] 1 1.929 4 3 0 -8.62634453121463 2979574 CCN(CC)C1=CC=C(C=C1)CNCCC2=CC=C(C=C2)F.Cl Cl- 1 4.337 2 0 -2.11601462671597 2979567 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.748 2 5 0 -14.8044316759006 2979547 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)C(=O)C5=CN=CC=C5 1 3.104 4 3 0 3.246278297052 2979545 CCN(CC)CCN1C2=CC=CC=C2N(C1=N)CCOC3=CC=CC=C3.Br Br- 1 3.627 4 1 -1.84305151425018 2979543 CC(C)C(C1=CC=C(C=C1)OC)(C(CN2CCOCC2)C3=CC=CC=C3)O.Cl Cl- 1 3.655 1 3 -2.84797013136347 2979526 CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CSCC3=CC=CO3)C(=O)OC 1 3.067 2 4 -20.5225517330988 2979510 C1CN2C3=CC=CC=C3N(C2=N1)CCOC4=CC=CC=C4.Cl Cl- 1 2.816 3 1 -5.25458505246317 2979509 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)C 1 3.146 3 3 -11.9594093222888 2979485 CC1(C2(CCC1(OC2=O)C(=O)NC3=NC4=CC=CC=C4S3)C)C 1 3.153 2 3 -5.74357921190226 2979484 CC1=CC(=NC2=NC(=NN12)C(=O)NC3=CN=CC=C3)C 1 0.541 6 1 0 -10.4719695520547 2979481 C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)COC4=CC=CC=C4)[N+](=O)[O-] 1 3.682 4 4 0 -4.44987199789607 2979477 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=NC=C3)C 1 2.931 3 3 -11.9088599522319 2979458 CC1=CC2=C(C=C1C)NC3(C4=CC=CC=C4NC3=O)C5=C(N2)CC(CC5=O)(C)C 1 3.686 3 2 -16.7133704224759 2979457 CCCCC1=NC(=NN1)SCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.97 4 2 -7.87354079708587 2979435 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=C(C=C3)Cl 1 2.139 3 4 0 -25.6689576191177 2979405 C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=C(C=C3)Cl 1 3.548 3 2 -16.4667814789559 2979403 CC1=CC=C(C=C1)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C 1 3.046 3 5 0 -20.1681917968613 2979391 CC1(CC2=CC=CC=C2C(=O)O1)C(=O)OC3=CC=CC=C3 1 3.49 0 4 -5.25699630554064 2979390 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 0.886 6 4 0 -13.8298002804859 2979389 CC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.062 2 5 0 -14.077831925074 2979387 CS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4 1 2.877 3 4 0 -10.9923507244899 2979381 C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4 1 1.041 7 5 0 -12.2095155370464 2979376 CCCC1=C(C(NC(=O)N1)C2=CC(=CC(=C2OCC(=O)OCC)OC)Cl)C(=O)OCC 1 3.081 2 7 0 -26.9986995584251 2979368 C1CN(CCN1C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4 1 3.752 3 3 -3.6915001309001 2979363 C1=CC=C(C=C1)COC2=CC=CC=C2CNCCNCCO.Cl Cl- 1 1.998 2 2 0 1.260788657497 2979358 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=CC=C3)O 1 0.915 2 5 0 -22.9270579371026 2979355 CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C(C)OC3=CC=CC=C3 1 3.597 2 2 -3.21263098963284 2979353 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.479 6 4 0 -11.2943071105414 2979348 CCOC1=CC=CC(=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)CC 1 2.852 3 5 0 -3.74239661965801 2979343 C1C(C(=O)N(C1=O)C2=CC=CC=C2)SCCO 1 0.951 1 3 0 -2.75186352711672 2979337 COC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O)OC 1 3.393 2 5 0 -10.7639537834066 2979313 CN1C2=C(C=C(C=C2)NC(=O)CSC3=NC(=O)C4=CC=CC=C4N3)N(C1=O)C 1 1.941 5 3 0 -20.637850770382 2979308 CCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC)O 1 2.696 3 6 0 -11.0692940176864 2979293 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)Cl 1 3.208 2 3 -7.63315551063804 2979288 CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CSC4=NC=CN4C 1 1.658 4 5 0 -26.1350890423412 2979285 C1CCCN(CC1)C(=O)C2CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=CC=C4)Cl 1 2.939 3 3 2.64912400250074 2979284 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 2.444 3 3 -11.4922726587684 2979262 CN1C(=NN=N1)SCCNCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC.Cl Cl- 1 3.709 5 2 0 -14.3936622246343 2979261 CC1(CC(=C(C(=O)C1)C2C3=C(C=CC(=C3)OC)OC4=C2C(=O)CC(C4)(C)C)O)C 1 3.457 0 5 -7.59242936272272 2979259 CC1=C(C=CC(=C1)Cl)OCC(=O)NCCOC2=NC(=NC(=N2)N3CCOCC3)N4CCCCC4 1 3.024 6 4 0 -6.90786484801547 2979256 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CSC3=NC4=CC=CC=C4S3 1 3.864 3 4 0 -24.3544649826481 2979250 C1CN(CCN1CCCNC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3Cl 1 3.352 4 1 -4.4138043394161 2979244 CC1=CC(=C2C(=C1)OC=C2CC(=O)N3CCCC3)C 1 3.015 1 2 -7.6984278760784 2979239 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CN3CCSCC3 1 1.53 4 5 0 -23.7373665112929 2979237 CCC(CO)NCC1=CC=CC=C1OC(C)C.Cl Cl- 1 2.439 1 2 -0.219336294691829 2979225 C1CCN(CC1)CCCN2C3=CC=CC=C3NC2=O.Cl Cl- 1 2.017 3 1 -5.22569441646414 2979223 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)NCCN)[N+](=O)[O-] 1 3.559 4 3 0 -4.97500856868988 2979217 CC1=CC(=C(C(=C1C)S(=O)(=O)NC2CCCCC2)C)C 1 4.544 1 2 -6.72735290216753 2979212 CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.093 4 5 0 -3.47671111317691 2979203 CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-] 1 5.186 4 3 0 -6.94677608434737 2979185 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-] 1 5.014 3 4 0 -16.8688815414821 2979184 C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(CO)(CO)CO.Cl Cl- 1 1.152 1 3 0 2.88943846852114 2979180 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3CCCO3 1 2.206 2 5 0 -14.9320098882384 2979178 CC1CC2=C(C=NC3=C(C(=NN23)C)C4=CC=CC=C4)C(=O)C1 1 2.684 3 1 -6.23966296684738 2979166 C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C#N 1 3.519 4 3 0 -11.4554552223692 2979165 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.113 6 5 0 -12.7764281752033 2979141 CCC1(CC2=C(CO1)C3=C(S2)C(=O)NC(=S)N3)C 1 2.879 2 2 -8.57974073534073 2979135 C1CN(CCC1C2=NC3=CC=CC=C3O2)C4CC(=O)N(C4=O)CC5=CC=CS5 1 2.685 3 3 5.08335342242936 2979105 COC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)[N+](=O)[O-] 1 1.941 6 4 0 -8.4443525685781 2979100 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC4=C(C=C3)OC(=O)C=C4 1 2.428 3 6 0 -9.61410430711761 2979098 C1CCC(=CC1)CCNC2CC(=O)N(C2=O)C3=C(C(=CC=C3)Cl)Cl 1 4.136 2 2 -10.9625619856992 2979096 CC1=C2C(=NN=C(C2=C(N1C(C3=CC=CC=C3)C4=CC=CC=C4)C)C)C 1 4.471 3 0 -4.13632316441035 2979076 CS(=O)(=O)C1=CC=C(C=C1)N2CCN(CC2)C3CC(=O)NC3=O 1 0.388 3 4 0 -7.58448643179018 2979075 C1CCN(CC1)C(=O)C2CCN(CC2)C3CC(=O)NC3=O 1 3.6e-002 3 3 0 -9.18048940308473 2979068 CCOC1=C(C2=CC=CC=C2C=C1)CNCCC3=CC=C(C=C3)S(=O)(=O)N.Cl Cl- 1 3.218 2 3 -3.25737374140919 2979066 CC1=CC(=NC(=N1)SCC(=O)NC2CCCCC2)C(F)(F)F 1 3.685 3 1 -13.0311198317932 2979065 CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CSC3=NC4=CC=CC=C4S3 1 4.853 3 3 -21.8833862572091 2979049 COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.794 6 4 0 -10.4963071376399 2979041 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CC(=O)O)C3=CC=CO3 1 3.197 1 4 -15.9518393866356 2979014 CCOC(=O)C1C(N=C(NC1=O)N2CCOCC2)C3=CC=CO3 1 0.323 3 5 0 -16.3714549494313 2979013 CC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C 1 3.359 3 2 -15.1408347745598 2979011 CC1=NOC(=C1)C(=O)N2CCC(N3C2=CC=N3)C(F)(F)F 1 1.54 4 2 0 -13.6709731225815 2979008 CCOC(=O)C1=C(NC(=S)NC1C2=C(SC(=C2)C)C)C 1 2.654 2 2 -25.5274231036262 2979005 CC1=CC=C(C=C1)NS(=O)(=O)N2CCOCC2 1 0.505 2 3 0 -2.90582137802282 2978984 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CNCC3=CC=C(C=C3)C 1 2.721 3 4 0 -20.887297836296 2978931 CC(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.549 2 4 -6.62185244753393 2978935 COC1=CC=CC=C1C2=NOC(C2)COC(=O)C3=NC4=CC=CC=C4C=C3 1 3.741 2 4 -7.58144316575428 2978939 CC1=CC=C(C=C1)N(C(C)C(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)S(=O)(=O)C 1 4.778 2 4 -5.26910524677238 2978940 CN1C(=NN=N1)SCCNCC#CC2=CC=CC=C2.Cl Cl- 1 2 5 0 0 -10.6600299436155 2978941 COC(=O)C1=CC=CC=C1NC(=O)CN2CCC3=CC=CC=C3C2 1 2.47 2 3 -15.57791261966 2978982 COC1=C(C=C(C=C1)C2=CC=C(O2)CO)N 1 1.454 1 3 0 7.06830097700676 2978966 C1=COC(=C1)CNC(=O)C2=CC3=NC=CN=C3C=C2 1 1.267 3 2 0 -8.56717419076643 2978954 CN1C=NN=C1SCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.135 4 2 -11.0812434761844 2978916 CC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)OCC(=O)OC)Br)C3=CC=CC=C3 1 2.613 2 5 0 -25.3006826016927 2978913 CCOC(=O)CN=C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.17 2 4 -8.0442841567822 2978907 CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CSC3=NC4=CC=CC=C4O3)C(=O)OC 1 3.946 3 4 0 -20.2479134629384 2978904 COC1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2 1 2.793 2 2 -9.17416169694507 2978901 CCOC(=O)CC1=CSC(=N1)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.157 2 5 0 -10.0071708072887 2978894 CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)NS(=O)(=O)C 1 3.489 4 3 0 -9.95884935990136 2978884 CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4 1 2.867 5 5 0 -12.3783432376582 2978869 CC1(C2(CCC1(CC2=O)C(=O)NC3=C(C=CC(=C3)OC)OC)C)C 1 2.547 1 4 -11.4723843817626 2978868 C1COCCN1CCC(=O)NNC(=O)NC2=CC(=CC=C2)Cl 1 0.721 4 3 0 -5.67623329348559 2978866 COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O 1 1.561 4 5 0 -3.48982731344423 2978837 C1=CC=C(C=C1)C(CNCC2=CC(=C(C=C2)Cl)Cl)O.Cl Cl- 1 3.769 1 1 1.82054181881976 2978829 C1CSC(C(=O)N1)CC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 2.022 2 2 -16.3418361969 2978828 CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 3.157 3 3 -5.76793929213605 2978824 COCCCN1CC2=CC=CC=C2C1=N.Br Br- 1 0.983 2 1 0 -7.21308113474513 2978812 CCCNCC1=CC(=C(C=C1Br)OCC2=CC=CC=C2)OC.Cl Cl- 1 4.539 1 2 -2.7698646203317 2978810 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(=O)NCC3=CC=CO3 1 2.37 3 3 -26.0000155810837 2978809 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CN3C=NC4=CC=CC=C43 1 2.418 4 4 0 -25.6654090296652 2978804 CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)NCC2CCCO2 1 2.582 1 4 -9.02542306824085 2978801 CCN1C2=CC=CC=C2C3(C1=O)C4=C(C(=O)N3CCCOC)OC5=CC=CC=C5C4=O 1 1.72 2 5 0 -3.9315495569807 2978798 CCOC(=O)N1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N 1 1.81 7 2 0 -2.79103186221707 2978791 CC1=C(C(=NN1CC(=O)NCC2=CC(=CC=C2)OC)C)[N+](=O)[O-] 1 1.429 4 4 0 -15.3751113121339 2978784 COC1=CC=C(C=C1)C2=NOC(C2)C(=O)NCC3=CC=CO3 1 1.554 2 4 0 -9.8083516964786 2978782 CCOC1=NN=C(C=C1)OC2=NC(=NC(=N2)N(C)C)NC3=CC=C(C=C3)C 1 3.802 7 2 0 -6.48428445522238 2995925 CCN1C(=NN=C1SCC(=O)N2CCOCC2)C(C)NC(=O)C3=CC=CC=C3 1 1.254 5 3 0 -25.2301016715316 2995913 CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=CC=C2OCC(=O)N3CCOCC3 1 2.702 2 4 -12.1201675998106 2995900 CC(C)(C)C(=O)NC1=CC=C(C=C1)CC2=CC=NC=C2 1 3.32 2 1 -10.6418760512995 2995888 CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3 1 1.589 4 3 0 -24.4758693822845 2995879 CN1CCN(CC1)CCCOC2=CC=C(C=C2)C3=CC=CC=C3.Cl Cl- 1 3.49 2 1 8.75472559317704 2995844 CC1=C(C=CC(=C1)OC(C)C(=O)NCCCN2CCOCC2)Cl 1 2.396 2 3 -11.1241209379055 2995833 CC1=CC=CC=C1NC(=O)C2=CC(=CS2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.747 2 3 -10.8582776537072 2995824 CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)Cl 1 2.793 3 2 2.0659598974249 2995813 CC1=CC(=CC(=C1OCC(=O)N2CCOCC2)C)NC(=O)C3=CC=C(C=C3)Cl 1 3.188 2 4 -12.1711534818804 2995805 C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F)Cl 1 3.727 2 2 -3.36069661784945 2995798 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4 1 3.019 2 3 -6.62418802197944 2995778 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2O)CC3=CC=CC=C3 1 3.186 4 2 -12.714343320867 2995774 C1CCN(C1)C(=O)CN2C3=CC=CC=C3OC2=O 1 1.272 2 3 0 -6.51582131951751 2995752 CC1=CC(=CC(=C1OCC(=O)N2CCOCC2)C)NC(=O)C3=C(C=C(C=C3)SC)OC 1 3.049 2 5 0 -12.1244204658223 2995696 COC1=CC=CC(=C1OCCCOC2=CC=CC3=C2N=CC=C3)C=O 1 3.437 1 4 -3.61278768915521 2995694 CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 1.389 3 3 0 -5.95647885207344 2995692 CC1=C(C=CC(=C1)OC(C)C(=O)NC2=CC=NC=C2)Cl 1 2.934 2 2 -7.74681382519775 2995685 C1=CC2=C(N=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4 1 3.728 3 2 1.84958308109623 2995660 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NN=CS3)F 1 1.328 4 3 0 -21.5036464998601 2995652 C=CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 3.09 2 3 -17.0268298152844 2978760 C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)O)NC4=CC=CC=C4 1 3.252 6 3 0 -4.86673801018155 2978731 COC(=O)C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2 1 1.035 3 3 0 -5.13407668794999 2978723 CCOC1=CC=C(C=C1)C(C2=CC=CC=C2OC)(C(CN3CCCC3)C4=CC=CC=C4)O.Cl Cl- 1 5.152 1 3 -1.41981915669115 2978721 CCOC(=O)NC1(C(=O)NC(=N1)C2=CC=CC=C2)C(F)(F)F 1 2.352 3 3 -5.30306485369565 2978717 CC1=C(C2=C3C(=C1)C(=CC(N3C(=O)C24C5=C(C=C(C=C5)O)OC(=C4C#N)N)(C)C)C)C 1 3.723 3 3 -1.65545141904083 2978699 COC1=CC=CC(=C1)CNC(=O)CN2C=CC(=N2)[N+](=O)[O-] 1 1.54 4 4 0 -17.1708764615995 2978697 CC1(C2(CCC1(OC2=O)C(=O)NNC3=CC=CC=C3)C)C 1 2.55 2 3 -7.51080548793318 2978682 CC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)C3=CC4=CC=CC=C4O3 1 4.545 3 3 -2.01016552499285 2978676 C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CSC3=CC=C(C=C3)Cl 1 4.49 3 3 -2.01625769503018 2978668 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2(C(=O)N(C(=O)N2)C3CCCCC3)C(F)(F)F 1 1.983 4 5 0 -11.4030562526019 2978664 COC1=CC(=CC(=C1OC)OC)C(=O)OCC2CC(=NO2)C3=CC=CC=C3 1 3.094 1 6 0 -8.40800626752766 2978661 C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=NN5C=CC=NC5=C4Cl 1 2.878 4 1 -6.88829619970219 2978653 C1=CC=C2C(=C1)N(C(=N)N2CC(=O)N)CCCOC3=CC=C(C=C3)F.Cl Cl- 1 1.913 4 2 0 -1.76567668898091 2978648 CCOC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C3=CC=CC=C3OC)S(=O)(=O)C4=CC=C(C=C4)F 1 3.94 3 5 0 -11.6685910092812 2978631 CC(C)CC(=O)NC1(C2=C(NC1=O)N(C(=O)N(C2=O)C)C)C(F)(F)F 1 0.456 4 4 0 -16.5902566697508 2978625 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC(=CC=C3)F)C4=NC5=CC=CC=C5S4 1 2.856 4 2 10.1605004519923 2978623 CC1CCCCC1NS(=O)(=O)C2=CC(=C(C=C2)Cl)OC 1 3.566 1 3 -13.270051512797 2978619 CC1=CC(=CC(=C1)OC(=O)C23CCC(C2(C)C)(C(=O)O3)C)C 1 4.147 0 4 -6.74737917187707 2978606 C1COCCN1S(=O)(=O)NC2=CC=C(C=C2)F 1 0.225 2 3 0 -2.19394435255757 2978605 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.56 3 5 0 -20.5070621891957 2978600 COC1=CC=CC=C1C2=NOC(C2)COC3=C4C(=C(C=C3)Cl)C=CC=N4 1 4.105 2 3 -0.696612503198599 2978593 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CN3CCC4=CC=CC=C43 1 2.844 4 5 0 -31.6932602577395 2978584 C1CN(CCC1O)C(=O)NC23CC4CC(C2)CC(C4)C3 1 1.151 2 2 0 -4.80175536617925 2978576 C1CN(CCN1CCC2=CC=CC=C2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 3.771 3 2 0.658067586905584 2978568 CCOC(=O)C1C(N=C(NC1=O)N2CCC3=CC=CC=C32)C4=CC=CC=C4 1 2.998 3 3 -13.5345038562265 2978566 C1CCCN(CC1)C2=C(C=CC(=C2)N3CCNCC3)[N+](=O)[O-].Cl Cl- 1 2.843 4 2 -3.18024759346135 2978558 CC(C)NC1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-] 1 2.882 3 2 -2.98546371413396 2978556 CC1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-] 1 3.69 4 4 0 -11.9442378429877 2978552 CC1CCCN(C1)CCC(=O)C2=CC=C(C=C2)Br.Cl Cl- 1 3.809 1 1 1.06012080153396 2978550 CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)F)OC)C 1 2.691 1 3 -13.4471228754308 2978549 C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)Cl 1 2.492 2 4 -4.46311416670314 2978547 CC1CC(CN(C1)CCCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C)C 1 2.214 3 4 0 -10.1865550290459 2978546 CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CSCC(=O)OC 1 2.358 2 5 0 -27.6683806600108 2978543 C1=CC=C(C=C1)C2=CC=C(C=C2)CNCC(C3=CC=CC=C3)O.Cl Cl- 1 3.958 1 1 3.00555841627296 2978541 C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCC2=CNC3=C2C=C(C=C3)O 1 4.431 3 3 1.88612538006225 2978539 CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=C(C=C3)OC)C 1 2.098 3 4 0 -26.9726479726366 2978536 CC(C(=O)NC1CCCCC1)N2C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.301 2 2 -10.568139226861 2978519 CC1=C(C=CC(=C1)Cl)N2C(=O)CC(C2=O)SCCC(=O)O 1 2.371 1 4 -6.17340649918882 2978514 CCS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.873 3 5 0 -12.9595715411688 2978512 CCOC1=C(C=C(C=C1Cl)CNC(C)(C)CC(C)(C)C)OC.Cl Cl- 1 4.717 1 2 -10.0634716864051 2978511 C1CC(OC1)CNC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4CC4 1 1.592 4 2 0 -19.284243130198 2978490 CC1=C(C(=NN1CCCC(=O)NC2=C(C3=C(S2)CCC3)C#N)[N+](=O)[O-])Cl 1 3.521 5 3 0 -25.9403625680639 2978485 CCC(C)NC(=O)CC1=C(C=CC2=C1C=CC(=C2)Br)OC 1 3.963 1 2 -9.40994814511373 2978475 CC1CCCCC1NS(=O)(=O)C2=C(C=CC(=C2)C)OC 1 3.388 1 3 -11.4365342775364 2978474 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C(=O)N4C)C)[N+](=O)[O-] 1 2.231 5 5 0 -19.6995655322083 2978463 C1CCN(C1)C(=O)C2CCCN(C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Cl 1 2.162 3 3 1.34361011081353 2978460 C1C=CC2C1C(NC3=C2C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5F 1 4.315 2 4 -1.35315639440018 2978455 CN1C(=NN=N1)SCCNCC2=CC=NC=C2.Cl Cl- 1 0.259 6 0 0 -11.9443616481485 2978448 C1COCCN1C(=O)CSC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 0.397 5 4 0 -24.0868174621016 2978447 CC1CC2=NC(=NC=C2C(=O)C1)NC3=CC=CC=C3 1 2.265 3 1 -8.27409322085497 2978442 CC(C(=O)NCC1=CC=CC=C1Cl)N2C=C(C=N2)[N+](=O)[O-] 1 2.166 4 3 0 -10.6400259055833 2978440 COC1=CC=C(C=C1)C2=NOC(C2)C(=O)O 1 1.21 1 4 0 -4.65624364552897 2978437 C1CCCN(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.633 4 5 0 -19.9719512804029 2978434 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCCC(C3)C(=O)N4CCCC4 1 2.354 3 4 0 -1.20258915661223 2978422 CC1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 2.003 3 4 0 -9.73677791428372 2978410 CC(C)N1C(C(=O)N(C1=O)C2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)OC 1 2.541 3 5 0 -14.6594796462546 2978407 CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CNCC4=CC=CC=C4Cl 1 2.683 3 5 0 -21.9427767996653 2978402 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 2.418 2 4 -8.75580931106262 2978386 C1CCN(C1)C(=O)C2CCCN(C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)F 1 1.703 3 3 0 0.233488445691965 2978384 CC1=CC(=NO1)N2C(=O)CC(C2=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 3.307 4 3 0 -6.09813202943607 2995620 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 3.108 3 4 0 -3.85162384351769 2995595 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N=C2)NC(=O)CNC(=O)C4=CC=CC=C4 1 3.069 4 3 0 -8.20759522082059 2995588 CC1=CC=C(C=C1)SCCOCCN2CCOCC2.Cl Cl- 1 2.553 1 2 -1.06493994361474 2995574 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NN=C(S3)N 1 1.127 5 2 0 -13.9947851828403 2995522 C1=CC2=C(C(=C1)OCCCOC3=CC=C(C=C3)C=O)N=CC=C2 1 3.453 1 3 -6.9054808236657 2978377 C1CC(OC1)CNC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 3.493 3 3 -13.4892934377817 2978361 C1CC(OC1)CNC2=NC(=O)C(=C(N2)C3=CC=CO3)C#N 1 0.59 4 3 0 -8.23722898673804 2978356 CN1C2=CC(=C(C=C2N(C1=O)C)Br)NC(=O)CCC3=CC=CC=C3 1 3.128 3 2 -12.8053385037023 2978352 COC1=C(C=C(C=C1)CCNC(=O)CSCC2=CC=C(C=C2)Br)OC 1 4.058 1 3 -16.6460444416763 2978342 CC1=C(C=C(C=C1)NC2=NN=C(C=C2)N3C=CN=C3)C 1 2.845 5 0 0.184640458417604 2978340 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCCCC4C5=CN=CC=C5 1 4.21 5 1 -4.37660021195959 2978335 CC1=C(C(=NN1C(C)C(=O)NCC2=CC=CS2)C)[N+](=O)[O-] 1 1.669 4 3 0 -10.6597814686122 2978334 CC(C)(C)C1CCC2=C(C1)C(=NO2)C(=O)O 1 2.891 1 3 -11.8037818523214 2978325 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.635 3 5 0 -11.3667820640127 2978322 C1CC(C1)CN(CC2CCCO2)C(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.977 3 4 0 -20.2072402459348 2978286 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)(C4=CC=C(C=C4)Cl)O 1 2.536 2 4 9.43176638911852 2978276 CC1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)NC2=CC=CC=C2C 1 2.2 3 3 -12.7459526820135 2978272 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNCC2=CC=CC=N2)OC.Cl Cl- 1 1.974 3 3 0 -14.5513732710785 2978271 CC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)Cl)C3=CC=CC=C3 1 2.596 2 3 -15.4666803190302 2978253 CC(C)(C)NCC(CN1C=C(C2=CC=CC=C21)C=O)O 1 2.112 2 2 -2.6268497108051 2978252 C1CN(CCC1NC2=CC=CC=C2Cl)C(=O)C3=CC=CO3 1 2.733 2 2 -3.19156158192301 2978241 CN(C)S(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3 1 1.564 5 4 0 -15.5243864746276 2978233 CC1(C2(CCC1(OC2=O)C(=O)N3CCC(CC3)C(=O)OC)C)C 1 1.485 1 5 0 -10.015761676432 2978221 C1CC(OC1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)O 1 1.826 2 4 0 -13.1825412725902 2978209 C1CN(CCN1C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CO4 1 2.783 4 6 0 -7.37278701061322 2978208 C1CCN(C1)C(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 0.715 2 3 0 -12.231733137937 2978203 CN(C)CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC 1 0.834 3 4 0 -13.0157916384593 2978202 CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Br 1 3.7 3 3 -10.4482423722495 2978176 CC1=CC=C(C=C1)C(=O)NCCC(=O)NCC2=CC=CO2 1 1.597 2 3 0 -18.1296758615579 2978143 C1CCCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 1.888 2 2 0 -11.3047766683097 2978122 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2CCOCC2 1 0.522 3 5 0 -12.8092985960659 2978115 C1CCC(CC1)CCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O 1 4.193 2 4 -13.9485150367797 2978114 CC1=CC=C(C=C1)SC(C)C2=NC(=NO2)C3=CC=NC=C3 1 3.358 3 1 3.78571878309155 2978111 C1CC2CC1CC2NC(=O)CSC3=NN=C(O3)CC4=CC=CC=C4 1 2.908 3 2 -19.4222024764581 2978108 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2CCC3=CC=CC=C3 1 4.351 1 3 -12.1643883302458 2978089 CC1=CC=CC=C1OC(C)C(=O)NC2CCCC2 1 3.245 1 2 -10.1857774838649 2978079 CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)CC#N)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4 1 3.906 3 3 -8.46924994517587 2978074 C1CCN(CC1)C(=O)C2=CC=C(C=C2)CS(=O)(=O)CC3=CC=CC=C3 1 3.277 1 3 -8.96992421496472 2978056 CS(=O)(=O)N(CC(=O)NCC1CCCO1)C2=CC(=C(C=C2)F)Cl 1 1.235 2 4 0 -19.8305451706372 2978047 CC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 3.879 2 2 -14.5739812084741 2978041 C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 1.625 2 3 0 -12.0159067789344 2978035 C1CC(OC1)CNC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br 1 1.029 2 4 0 -15.3554311808416 2978005 C1CC2CC1CC2NC(=O)CSC3=NC=NN3 1 1.334 4 1 0 -12.9201103687628 2978002 CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3CCCO3 1 2.667 2 3 -16.5851967996325 2978000 CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=NC=C2 1 2.828 2 1 -5.6086913993958 2977982 C1CCCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 1.628 2 3 0 -12.586201652105 2977981 CN(CC1=CC=CC=C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC 1 4.944 2 2 -4.27404184421325 2977962 CC1=CC(=NC(=N1)SCC(=O)NC2CC3CCC2C3)C(F)(F)F 1 3.428 3 1 -9.99785230283188 2977952 CC1=CC=CC=C1OC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3 1 4.707 1 2 -7.41328292391506 2977939 CC1=CC(=CC(=C1OCCCNCC(C)O)Br)Cl 1 3.215 1 2 8.21025973824742 2977922 C1=CC=C(C(=C1)C#N)NC(=O)CSC2=NNC(=N2)C3=CC=CO3 1 2.488 5 2 0 -7.38382686766306 2977919 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 2.851 2 5 0 -11.4619087476562 2977899 C1CC(OC1)C(=O)NC2=C(C=CC(=C2)Cl)O 1 1.705 1 3 0 -5.79075702663243 2977895 C1CCN(C1)C(=O)CNC(=O)C2=CC=C(O2)Br 1 0.727 2 3 0 -12.3785525596298 2977891 CN(CC(=O)N1CCN(CC1)C2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Br 1 1.979 4 3 0 -6.68280056322011 2977885 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=CC=C3CCC4=CC=CC=C4 1 4.692 3 1 -5.99958043294494 2977881 CN(C)C1=CC=CC(=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3 1 4.573 2 1 -10.2089988205749 2977876 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 1.884 2 4 0 -14.4034191703325 2977865 CN1CCN(CC1)C(=S)C(=O)NC2=CC=C(C=C2)Br 1 2.639 3 1 -4.22757892972783 2977853 CC1=CC=C(C=C1)SC(C)C2=NC(=NO2)C3=CC=CC=C3 1 4.509 2 1 3.9683957922187 2977852 C1=CC(=C(C=C1[N+](=O)[O-])Cl)COC(=O)C2=NC=CN=C2 1 1.955 3 4 0 -5.5678655650182 2995509 CC1CN(CC(O1)C)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)NC 1 0.447 3 5 0 -22.1535424434482 2995546 CC(=O)C1=CC=CC=C1OCCCOC2=CC=CC3=C2N=CC=C3 1 3.434 1 3 -9.3638195527075 2995538 CC1CN(CC(O1)C)S(=O)(=O)C2=CC(=C(C=C2)N3CCCCC3)C(=O)NC 1 1.677 3 4 0 -20.5644563207354 2995494 C1CC(OC1)CNC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3 1 1.53 2 5 0 -21.8537473498554 2977827 CC1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 6.196 4 4 0 -6.25309208778669 2977810 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2 1 1.813 2 3 0 -12.5155475567898 2977782 CC1=C(N=CC=C1)NC(=O)C(C)OC2=CC=CC=C2 1 2.808 2 2 -5.93884883467137 2977780 CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=CC=C(O2)Br 1 0.475 3 5 0 -13.0139505024464 2977763 CN(CC1=CC=CC=C1)C(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.21 2 2 -10.3233590858967 2977756 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CNC(=O)CNC(=O)CC4=CC=CC=C4 1 2.551 4 3 0 -19.691894227159 2977752 CC1=CC=C(C=C1)SC(C)C(=O)NC2=NC=NN2 1 2.28 4 1 -6.6587629908389 2977750 CC1=CC=CC=C1OC(C)C(=O)NC2=CN=CC=C2 1 2.269 2 2 -9.63026863118208 2977748 C1COCCN1C(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 0.655 2 3 0 -11.3493464234674 2977742 C1CCN(C1)C(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 1.429 2 2 0 -9.42658145952371 2977739 C1CC2CC1CC2NC(=O)CSC3=NN=C(O3)COC4=CC=CC=C4 1 2.709 3 3 -18.2525250745803 2977723 CS(=O)(=O)N(CC(=O)NCC1=CC=NC=C1)C2=CC(=C(C=C2)F)Cl 1 1.309 3 3 0 -15.7716265887934 2977708 CC1=CC=C(C=C1)C2=CC=C(N2CC3CCCO3)CCC(=O)O 1 3.775 1 3 -14.0722004364539 2977697 CC1=CC(=C(C=C1Br)C)OCC(=O)N2CCC3=CC=CC=C3C2 1 4.458 1 2 -7.77005796050354 2977651 CN(C)S(=O)(=O)N(CC(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)C2=CC=CC=C2 1 0.885 3 7 0 -19.9254217475711 2977645 CCC(C1=CC=CC=C1)C(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 2.649 2 3 -9.20577602595591 2977643 CCOC(=O)CN1C2=CC=CC=C2C(C1=O)(C3CCC4=CC=CC=C4C3=O)O 1 2.473 1 5 -1.39695801754148 2977625 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2CCC3=CC=CC=C3 1 3.883 2 3 -9.27037650415354 2977623 CC1=CC=CC=C1OC(C)C(=O)NCCC2=CCCCC2 1 4.171 1 2 -13.0333467727256 2977601 CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=CC=C(C=C2)Br 1 1.261 3 4 0 -11.5186391474418 2977598 CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C(C)NC(=O)C4=CC=CC=C4F 1 3.022 6 2 0 -21.691931115483 2977579 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5N=C4 1 3.297 4 2 2.41740281070659 2977573 CC1=CC=CC=C1OC(C)C(=O)NCCCN2CCOCC2 1 1.732 2 3 0 -12.7307277225595 2977572 C1CCCN(CC1)C(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 2.341 2 2 -9.78104997369179 2977556 CCC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C 1 3.684 1 3 -12.1214963623138 2977545 C1=CC=C(C(=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CN=CC=C4)OCC(=O)O 1 3.757 3 4 0 -3.99315580353304 2977544 CC(C1=NN=C(N1C)SCC(=O)NC2=NC3=CC=CC=C3S2)NC(=O)C4=CC=C(C=C4)OC 1 3.197 6 3 0 -18.0660830137254 2977543 C1=CC=C(C=C1)NC(=O)CNC(=O)CNC(=O)C2=CC=CO2 1 0.129 3 4 0 -13.2650430887952 2977532 CC1=CC=CC=C1OC(C)C(=O)NCC2=CN=CC=C2 1 2.276 2 2 -12.2079845718468 2977526 CN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)Br 1 0.644 3 4 0 -15.3622628799832 2977524 CC1=CC(=CC(=C1OCCNCC(C)O)Br)Cl 1 3.153 1 2 9.13656859111648 2977522 C1CCN(CC1)C(=O)CNC(=O)C2=CC=C(O2)Br 1 1.184 2 3 0 -12.7330210737979 2977517 C1CC(OC1)C(=O)NC2=CC=CC(=C2)C(=O)O 1 0.913 1 4 0 -13.4961486738132 2977500 CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])Cl 1 3.175 5 4 0 -7.8463908389204 2977497 COC1=CC(=C(C=C1)NC(=O)CN2CCCCC2)[N+](=O)[O-] 1 1.751 3 4 0 -7.1291886504899 2977485 C1CC2CC1CC2NC(=O)CN3CCOCC3 1 0.669 2 2 0 -6.85648358715032 2977478 CCOC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CN=CC=C4 1 4.624 3 2 1.92111067035713 2977461 CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C(CO)NC(=O)C3=CC=C(C=C3)OC 1 2.287 4 5 0 -14.8921529215727 2977456 CC(C1=NN=C(N1CC=C)SCC(=O)NC2=CC=CC=C2F)NC(=O)C3=CC=CC=C3F 1 3.616 5 2 0 -26.9607152694663 2977455 CC1=CC=C(C=C1)SC(C)C2=NC(=NO2)C3=CN=CC=C3 1 3.358 3 1 1.24301485875275 2977453 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C 1 1.336 4 7 0 -22.4274154324077 2977452 CC1=CC(=CC=C1)OC(C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 3.358 2 4 -6.83228893908712 2977413 CC(=C)CN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC4=C(C=C3)OCCO4)O 1 2.689 1 5 -15.4310641088787 2977397 C1CC(OC1)C(=O)NC2=CC=C(C=C2)O 1 1.041 1 3 0 -9.71055214127252 2977396 CC1=CC=CC=C1OC(C)C(=O)NC2=CC3=C(C=C2)OCO3 1 3.188 1 4 -11.8926998287734 2977388 CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC=CC=N4)C(=O)CC(C3)(C)C 1 3.982 3 1 -22.1076378413869 2977373 C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl)[N+](=O)[O-] 1 4.346 4 4 0 -2.13963929534045 2977354 CC1=CC=C(C=C1)C(=O)NCCC(=O)N2CCCC2 1 1.499 2 2 0 -12.7406404181492 2977351 CC(=O)C1=CC(=CC=C1)N(CC(=O)NC2=CC=C(C=C2)NC(=O)C)S(=O)(=O)C 1 0.443 3 5 0 -18.7227615282687 2977345 CCC(=O)NC1=CC=CC(=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3 1 4.198 2 2 -10.629968389422 2977334 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 2.907 3 6 0 -5.04046753609391 2977331 C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])Cl 1 4.102 4 4 0 -7.9249676432188 2977317 CC(C1=NN=C(N1C)SCC(=O)NC2=CC=CC=C2F)NC(=O)CC3=CC=C(C=C3)OC 1 2.812 5 3 0 -20.5834065926388 2977313 CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.83 5 5 0 -22.5876189469644 2977306 CCCCOC1=CC=C(C=C1)C(=O)N2CC(OC(C2)C)C 1 2.998 1 3 -12.0385996724013 2977298 CC1=C(C=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4 1 5.627 4 3 0 -0.406315103456698 2977288 CC1=C(C=C(C=C1)N(C(C)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)S(=O)(=O)C)C 1 2.141 3 5 0 -16.4374439202886 2977276 CC1=CC(=CC=C1)OC(C)C(=O)NC2=NC=CS2 1 2.417 2 2 -6.37722557170293 2977256 C1CC(OC1)C(=O)NC2=CC(=CC=C2)OCC(=O)O 1 0.748 1 5 0 -16.9305713400453 2977248 CCOC1=CC=CC=C1NC(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 1.958 2 4 0 -16.0595996719605 2977240 C1CC(OC1)CNC(=O)CNC(=O)C2=CC=C(O2)Br 1 0.419 2 4 0 -18.8727322341017 2977233 C1CC(OC1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O 1 1.697 2 5 0 -16.4059575648668 2977229 CC(C1=NN=C(N1C)SCC2=NC(=O)C3=CC=CC=C3N2)NC(=O)CC4=CC=C(C=C4)OC 1 2.486 6 3 0 -20.1972744152974 2977215 C1COCCN1C(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 -5.8e-002 2 4 0 -14.1544981018806 2977205 CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)COC4=CC=CC=C4C 1 3.973 5 2 0 -12.1106343314216 2977164 C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4)[N+](=O)[O-] 1 5.141 4 3 0 -0.136184175821458 2977127 C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C4CCCO4 1 2.174 2 4 -21.3164730591084 2977126 CCOC(=O)N1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 0.463 3 5 0 -12.8671310807536 2977115 CC1=CC(=CC=C1)OC(C)C(=O)N2CCC3=CC=CC=C3C2 1 3.707 1 2 -11.5159519462678 2977110 CN1CCN(CC1)C(=S)C(=O)NCC2=CC=CC=C2 1 1.898 3 1 0 -8.0257199738705 2977107 CC1=CC(=CC=C1)NC(=O)CNC(=O)CNC(=O)CC2=CC=CC=C2 1 1.255 3 3 0 -10.506682159676 2977093 CCOC1=CC=CC=C1NC(=O)CNC(=O)CNC(=O)CC2=CC=CC=C2 1 1.101 3 4 0 -16.7903119799281 2977068 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)CC3=CC=C(C=C3)OC 1 3.076 5 4 0 -21.5560192769027 2977064 COC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 1 1.824 2 6 0 -20.5712389110052 2977048 CC(C1=NN=C(N1C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4F 1 3.052 6 2 0 -18.5346663987464 2977042 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)C2CCCO2 1 1.683 2 3 0 -19.4291456939791 2977034 CC(C1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)OC)NC(=O)CC3=CC=C(C=C3)OC 1 3.21 4 4 0 -16.4466762732294 2977027 CC1=CC=C(C=C1)SC(C)C(=O)NCC2=CC=C(C=C2)F 1 4.191 1 1 -5.44811235157752 2977009 CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 3.801 1 5 -13.2929005399474 2977005 CC1=CC=C(C=C1)C(=O)NCCC(=O)N2CCOCC2 1 0.725 2 3 0 -14.6634053820929 2977004 CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)CCC(=O)NC3=CC=CC=C3F 1 2.918 5 3 0 -22.7771574092569 2976989 CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.846 4 4 0 -0.225593154641177 2976988 CC(C(=O)NC1=CC2=C(C=C1)OCO2)N(C3=CC=C(C=C3)Cl)S(=O)(=O)C 1 2.5 2 5 0 -9.22286761916688 2976964 CC1=CC=CC=C1OC(C)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 3.067 3 2 -8.25709253255761 2976948 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.103 3 5 0 -20.1525936750276 2976944 C1COCCN1C(=O)CNC(=O)C2=CC=C(O2)Br 1 -4.6e-002 2 4 0 -14.3013175235735 2976938 COC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 1.424 2 4 0 -9.7838709574781 2976929 CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)CC2=CC=C(C=C2)Cl 1 1.211 3 4 0 -11.3120037613737 2976921 CC1=CC=CC=C1OCCCN2C=C(C3=CC=CC=C32)C(=O)C(=O)N4CCOCC4 1 3.497 2 4 -13.3335600954879 2976916 CC1=CN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4 1 1.222 4 3 0 -10.0401665347739 2976904 COC1=C(C=C(C=C1)Cl)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CN=CC=C4 1 4.276 3 2 1.83553816006326 2976902 CC1=NC(=CC=C1)NC(=O)C(C)OC2=CC=CC=C2C 1 3.091 2 2 -7.06827048158252 2976898 C1COCCN1C(=O)CNC(=O)C2=CC=C(C=C2)Br 1 0.739 2 3 0 -12.8060061685688 2976867 CN(C)S(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC=CC=C2)C3=CC=CC=C3 1 1.433 4 3 0 -8.65700684015623 2976858 CC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3OC 1 3.863 2 3 -17.035627428449 2976853 COC1=CC(=C(C=C1)NC(=O)CSC2=NC=NN2)[N+](=O)[O-] 1 1.187 5 4 0 -14.9027749114164 2976794 CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)N(C)C 1 1.574 4 4 0 -21.3449923525442 2976790 C1CCC(CC1)NC(=O)C(=S)NCC2=CC=CC=C2 1 3.263 2 1 -7.25961372300582 2976785 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)CS(=O)(=O)C3=CC=C(C=C3)C 1 4.008 1 3 -16.8283457437011 2976835 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3 1 1.293 2 5 0 -10.745300262966 2976832 C1CCCN(CC1)C(=O)CNC(=O)C2=CC=C(C=C2)Br 1 2.425 2 2 -11.2377097187932 2976819 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2CCCC2 1 1.295 3 4 0 -10.0562238709857 2976767 C1CCN(CC1)C(=O)CNC(=O)CNC(=O)CC2=CC=CC=C2 1 0.315 3 3 0 -15.6597066013251 2976724 C1CN(CCN1C2=C(C=C(C=C2)NC(=O)CC3=CC=C(C=C3)Cl)Cl)C(=O)C4=CC=CO4 1 4.416 3 3 -2.78299661018277 2976705 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2 1 2.146 2 3 -13.1615762084812 2976702 CCN(CC)C(=O)C(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3CCCO3 1 1.745 3 4 0 -24.0670247340464 2976701 CCOC(=O)C1=CN(C=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OCC)CC3CCCO3 1 3.379 1 5 -15.1895148184331 2976696 CC1=CC(=C(C=C1OC)C)NC(=O)C(=S)NCCC2=CC=CC=C2 1 4.258 2 2 -6.023528620194 2976693 C1CCN(C1)C(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 0.935 3 4 0 -14.274965635773 2976690 CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 1 2.21 2 6 0 -21.8482059866872 2976684 CCN(CC)C(=O)C1=CC=C(C=C1)CS(=O)(=O)CC2=CC=CC=C2 1 3.058 1 3 -11.8385759250136 2976681 C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4 1 4.111 3 3 -3.79954159692574 2976669 C1CC(OC1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 1.697 2 5 0 -18.7538220142378 2976659 C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)[N+](=O)[O-] 1 3.809 4 5 0 0.851165936330207 2976640 CC1=C(C(=CC=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=CC=CC(=C3C)C)C 1 4.644 2 6 0 -5.8579012434878 2976618 CC1=CC=CC=C1OC(C)C(=O)NC2=CC3=C(C=C2)OCCO3 1 3.206 1 4 -13.3380009823418 2976614 CN(C)C1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3 1 4.573 2 1 -9.50736706257491 2976566 COCCNC(=O)CN1C=C(C2=CC=CC=C21)C(=S)N3CCCCC3 1 3.013 3 2 -21.4270846428614 2976561 C#CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4 1 3.207 3 3 -6.76537146009904 2976550 CC1=CC=C(C=C1)C(=O)NCCC(=O)NC2=CC=CC=C2C 1 2.895 2 2 -14.8281178290512 2976532 C1=CC=C(C=C1)NC(=O)CCC(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.163 2 5 0 -11.560784678608 2976521 C1CCCC(CC1)NC(=O)C(=S)N2CCOCC2 1 2.359 2 2 -11.6407521418217 2976519 CS(=O)(=O)N(CC(=O)NC1=C(C=CC=C1F)F)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4 1 4.404 2 3 -7.20582846874525 2976517 CC1=CC=C(C=C1)SC(C)C(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 5.465 1 3 -10.9352940246505 2976511 C1CC(OC1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)C(=O)O 1 1.697 2 5 0 -18.2431244129799 2976510 CC(CNCCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2)O 1 3.463 1 3 4.70949619855393e-002 2976505 C1CCCC(CC1)NC(=O)C(=S)NCCC2=CC=CC=C2 1 4.04 2 1 -7.27954492823056 2976484 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-] 1 2.405 5 5 0 -13.1634480847522 2976481 C1CC1NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4F 1 3.488 2 2 -12.452357645466 2976480 C1CCCC(CC1)NC(=O)C(=S)N2CCCC2 1 3.132 2 1 -9.77208736574286 2976467 CC1CCN(CC1)CC(=O)NC2=NC=CS2 1 1.122 3 1 0 -9.17338780801414 2976453 COC1=CC(=C(C=C1)OC)NC(=O)C(=S)NC2CCCCC2 1 3.223 2 3 -9.6318646184222 2976450 CCN1C(=NN=C1SCC(=O)NC2CC3CCC2C3)C4=CC=CC=C4OCC 1 3.751 4 2 -14.5112968570177 2976438 CC1=CC=C(C=C1)C(=O)NCCC(=O)NC2=CC=CC=C2OC 1 2.392 2 3 -15.6068432062804 2976426 CCOC(=O)N1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 0.724 3 4 0 -11.5857060969583 2976424 CC1=CC=CC=C1OC(C)C2=NC(=NO2)C3=CC=CC=C3 1 3.95 2 2 2.46770849748965 2976396 CN(C)S(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)OC)C2=CC=CC=C2 1 1.164 3 4 0 -15.7511049721332 2976386 C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CN=CC=C4 1 2.086 3 3 -13.9779796502723 2976373 COC1=CC=C(C=C1)NC(=O)C(=S)NC2CCCCC2 1 3.239 2 2 -7.61017647690543 2976361 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CCC(=O)NC3=CC=CC=C3F 1 2.918 5 3 0 -21.2180969882571 2976358 CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4 1 2.939 4 5 0 -5.55072410864004 2976325 CC1C(=O)N=C(S1)NC(=O)CSC2=NC(=CC(=N2)C)C 1 1.939 4 2 0 -16.2821673591212 2976321 CCC(C1=NC2=CC=CC=C2C(=O)N1CCCN3C=CN=C3)N4C(=O)C5=CC=CC=C5C4=O 1 2.395 5 3 0 -7.32770472168483 2976319 C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NC(CCC(=O)O)C(=O)O 1 -1.e-002 2 7 0 -29.6454022736365 2976315 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3CCCO3 1 2.356 2 4 -14.9397199436694 2976313 CC(C1=CC=CC=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O 1 2.47 2 4 -7.47320430457786 2976311 CCC1=C(N=C(N=C1N2C(=N2)SC(C(=O)C)C(=O)C)N)C 1 1.686 5 2 0 -9.9475656595598 2976307 CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CN3CCSCC3 1 2.608 3 3 -18.9128375589849 2976301 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=N3 1 1.41 3 3 0 -21.6152884425332 2976298 CC1=CC(=C(C=C1OC)C)NC(=O)C(=S)NCC2=CC=CC=C2 1 3.937 2 2 -6.00359741496925 2976296 C1CC2C(C1)C3CC2CC3OC(=O)NC4=CC=CC=C4 1 3.783 1 2 -3.14032650474652 2976293 C1COC2=C(O1)C=CC(=C2)N3N=C(C(=NCC4=CC=CC=C4Cl)N3O)[N+](=O)[O-] 1 3.082 5 5 0 -1.09652643839069 2976289 CC1C(=O)N=C(S1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C 1 3.027 4 2 -14.6130787051569 2976279 C1CC(OC1)C(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl 1 3.398 2 3 1.80451832246714 2976275 CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(S2)C)C 1 2.694 2 2 -22.478243333459 2976245 CC(C)OC1=CC=C(C=C1)CCC2=NN=C(N2C3=CC=CC=C3)SC(C)C(=O)O 1 5.151 3 3 -11.2099011536954 2976240 COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCC(CC2)(C(=O)N)N3CCCCC3)C(=O)OC 1 0.618 4 6 0 -11.5200168310085 2976238 CCC1=CC=C(C=C1)N=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-] 1 3.568 5 3 0 3.45543219573213 2976235 C1C2CC3CC1CC(C2)(C3)NC4CC(=O)N(C4=O)C5=CC6=C(C=C5)OCO6 1 2.391 2 4 -5.0570432908886 2976228 CN1C(=NN=N1)SCCNCC2=CC=C(C=C2)Cl.Cl Cl- 1 2.074 5 0 -9.59835850678568 2976198 CC(C)N1C(=O)CC(C1=O)NC2=CC=C(C=C2)OC 1 1.467 2 3 0 -7.27038132089152 2976194 COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2SC 1 3.468 1 2 -12.3458602070367 2976172 CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CN4CCCCC4)O 1 2.879 4 2 -5.19521392258068 2976163 CC(C1CC(=O)N(C1=O)CC(=O)O)C2=CC=CC=C2 1 1.097 1 4 0 -10.2937685582439 2976158 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=N3)Cl 1 2.058 3 4 0 -21.5295243408533 2976157 CC1=CC(=CC=C1)CC2CC(=O)N(C2=O)C3=NC=CC=N3 1 2.169 3 2 -2.33699893118641 2976153 CC1=C(C=CC=C1Cl)NC2=NC3=CC=CC=C3C(=N2)NCCO.Cl Cl- 1 3.308 4 1 6.56670350732831 2976151 C1=CC(=CC=C1CNC(=O)C2=NC=NN2)Cl 1 1.452 4 1 0 -6.41307358322268 2976147 CCCCC1=NN=C(S1)NC(=O)C2CCCO2 1 1.597 3 2 0 -19.4448114512653 2976144 CN1C2=C(N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4)N(C(=O)N(C2=O)C)C 1 2.186 5 3 0 -20.5736909266368 2976140 COC1=CC=CC(=C1)NC(=O)C(=S)NC2CCCCC2 1 3.239 2 2 -7.25347108221777 2976114 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 2.701 3 3 -6.60267635700121 2976112 CC1=C(C(=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)C)NS(=O)(=O)C 1 1.986 2 6 0 -7.44227196861523 2976110 CC(=O)N(C1CS(=O)(=O)C=C1)C2=CC(=CC=C2)Br 1 1.285 1 3 0 -1.05578558635683 2976103 CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)C4=CC=CO4 1 3.388 4 3 0 -3.02304256264547 2976100 CC1=CC(=CC=C1)N2N=C(C(=NCC3=CN=CC=C3)N2O)[N+](=O)[O-] 1 1.968 6 3 0 0.653747956526317 2976095 CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C4=NC(=CS4)C5=CC=CC=C5 1 4.414 4 0 8.69006496553314 2976094 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC=CC=C3F 1 3.158 5 3 0 -27.352781693403 2976089 CCN(CC)C1=CC=C(C=C1)CNCC2=CC=CS2.Cl Cl- 1 3.551 2 0 -4.20648004549333 2976075 CC1=CC=CC=C1N2C3CS(=O)(=O)CC3N(C2=O)C4=CC(=CC(=C4)C)C 1 3.685 2 3 -8.3724865890359 2976070 CC(=O)C1=CC(=CC=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C 1 0.128 3 7 0 -30.5792872871148 2976068 CN1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC.Cl Cl- 1 1.91 3 2 0 -2.57586972008305 2976054 CCCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)C)NCC3=CC=CO3 1 3.452 4 2 -6.67950527619693 2976047 CN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O 1 3.6e-002 2 5 0 -21.7691562733184 2976037 CC1(CC1(Cl)Cl)C(=O)NCCOC2=CC=CC=C2Cl 1 3.082 1 2 -6.35757911856587 2976035 CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C 1 3.128 4 1 -19.9448952342068 2976034 C1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O 1 2.778 2 3 -11.7504430795637 2976026 CC1=CC=C(S1)CNCCC2=CC(=C(C=C2)OC)OC.Cl Cl- 1 3.125 1 2 1.31853755676302 2976019 CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4 1 3.461 4 1 -3.23921150843075 2976015 CC(=O)N1C(=NC(=N1)C2=CC=CC=C2)NCC3=CC=CS3 1 2.401 4 1 -4.91610716136017 2976014 CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)CC(C2=O)NC3=CC=C(C=C3)OC 1 2.698 3 5 0 -9.29812190855005 2975997 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)CC4=CN=CC=C4)C(F)(F)F 1 -0.205 6 6 0 -12.0081124267866 2975992 C1COCCN1C(=S)C(=O)C2=CNC3=CC=CC=C32 1 2.534 2 2 -2.61807936886332 2975990 CCOC(=O)C1CCCN(C1)S(=O)(=O)CC2=CC=C(C=C2)Cl 1 2.429 1 4 -16.6955996453115 2975985 COC1=CC(=CC(=C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-])OC 1 2.378 5 7 0 -1.06367788822542 2975983 COC1=CC(=C(C=C1C2=NOC(C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)Cl)OC 1 1.919 3 6 0 -13.4254435817372 2975978 CC1=CC(=NO1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)O)C(=O)O 1 1.75 3 7 0 -18.2266132829963 2975977 COCC(=O)N1C(=NC(=N1)C2=CC=CC=C2)NCC3=CC=CS3 1 2.138 4 2 -7.00866648841983 2975955 C1C=CCC2C1C(=O)N(C2=O)C3=NNC(=N3)CCC4=CC=CC=C4 1 2.708 4 2 -2.67397256856661 2975895 COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3 1 3.317 3 3 -6.29966628365407 2975897 C1CCCC(CC1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-] 1 3.149 5 5 0 0.475173801157495 2975908 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O 1 3.852 1 3 -3.61075433378063 2975913 CN(C1CCS(=O)(=O)C1)C2=NC(=CS2)C3=CC=CC=C3 1 1.823 2 2 0 -7.47228703740079 2975951 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N 1 0.556 2 3 0 -13.5096518762931 2975948 CN1CCN(CC1)C(=S)C(=O)NC2=CC=CC=C2 1 1.891 3 1 0 -4.74957201358656 2975945 CC1=C(C=CC(=C1)S(=O)(=O)NC2=C(N=C3N=CNN3C2=O)C)F 1 -3.3e-002 5 3 0 -9.26501914123307 2975937 CCOC1=C(C(=CC(=C1)CNCC2=CC=CC=N2)Cl)OCC.Cl Cl- 1 3.344 2 2 -4.11834055425206 2975932 CC(=O)C1=CC(=CC=C1)NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O 1 1.179 2 4 0 -15.11020943574 2975931 CS(=O)(=O)N1CCCC(C1)C(=O)NCCC2=CC=CC=C2 1 1.09 2 3 0 -18.2509563968762 2975928 CN(C)S(=O)(=O)N(CC(=O)NCCSCC1=CC=C(C=C1)Cl)C2=CC=CC=C2 1 2.459 3 3 -15.1594965815062 2975923 CC1=CC=CC(=C1)C2=NOC(=N2)CCC(=O)NC3CCCCC3 1 3.249 3 2 -5.27945523081641 2975922 CCCCN1C2=CC=CC=C2N=C1CCNC(=O)CC 1 3.115 3 1 -11.8489126413721 2975890 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)NCC3=CC=CO3 1 1.702 2 5 0 -22.4223844258622 2975882 CCOC1=CC=CC(=C1)C(=O)NC2CCCCC2 1 3.228 1 2 -8.47420604742948 2975866 CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)N)C.Cl Cl- 1 3.587 4 0 4.094374821013 2975859 CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CN4CCN(CC4)CCO)O 1 1.38 5 3 0 -3.32046207725654 2975858 CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 2.718 4 5 0 -36.4143381467131 2975846 C1CCN(C1)C(=S)C(=O)NCC2=CC=CO2 1 1.583 2 2 0 -11.7669596043341 2975843 COC1=CC=CC=C1NC(=O)CSC2=NC(=O)C(=C(N2)N)C3=CC=CC=C3 1 2.333 4 3 0 -15.5919053274271 2975837 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCOCC4 1 2.569 6 3 0 -13.7431649233222 2975836 CCOCCCNCC1=CC(=C(C=C1)OCC2=CC=C(C=C2)F)OC.Cl Cl- 1 3.404 1 3 -7.60980732663507 2975834 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4 1 2.871 4 3 0 -18.4973175307151 2975827 CN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1CCNC(=O)C4=CC=CC=C4 1 4.031 4 2 -6.24707766905646 2975826 CC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C 1 0.502 2 4 0 -12.4976417194908 2975825 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCC3=CC=C(C=C3)F 1 1.414 2 4 0 -7.77057403609501 2975824 C1=COC(=C1)C(=O)NNC(=O)CSC2=CC=C(C=C2)Cl 1 2.324 2 3 -5.82031377823543 2975823 C1OC2=C(O1)C=C(C=C2)CN=C3C(=NN(N3O)C4=CC=CC=C4)[N+](=O)[O-] 1 2.4 5 5 0 -0.958142279239486 2975817 COC1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3C#N 1 2.746 4 3 0 -21.0831280428199 2975812 C1CC(=O)N(C1)CC(=O)NC2(C(=O)N(C(=O)N2)CC3=CC=CC=C3)C(F)(F)F 1 0.741 4 4 0 -17.3874131522873 2975805 C1=CC(=CC=C1SCC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O)Cl 1 2.434 2 5 0 -14.9179558484984 2975802 CC1CC2=C(N1S(=O)(=O)C3=CC=C(C=C3)C)C=CC(=C2)S(=O)(=O)N 1 2.167 2 4 -11.3790784013358 2975800 CC1=CC(=C(C=C1)N=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-])C 1 3.598 5 3 0 3.71785692993519 2975799 C1=CC=C(C=C1)C2=NN=C(O2)COC3=CC=CC=C3Cl 1 3.553 2 2 -3.52369656098993 2975796 CC1C(=O)N=C(S1)NC(=O)C2=CC=NC=C2 1 1.087 3 2 0 -10.3079355204463 2975791 C1C=CCC2C1C(=O)N(C2=O)C3=NNC(=N3)CC4=CC=CC=C4 1 2.252 4 2 -2.21199160977838 2975766 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 1 1.192 3 7 0 -19.8210694668909 2975754 CN(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)F)S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 2.014 3 5 0 -6.32416547100933 2975741 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=N3 1 1.88 3 4 0 -18.8997048560728 2975740 CC1=CC(=CC=C1)CC2CC(=O)N(C2=O)C3=NC4=C(S3)C=CC(=C4)OC 1 4.036 2 3 -2.34431807229393 2975738 CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCNC(=O)C3=CC=CO3 1 2.074 4 4 0 -7.01300744531827 2975735 CN1C(=NN=N1)SCCNCC2=CC(=C(C=C2)OC)OC.Cl Cl- 1 1.377 5 2 0 -16.1352378372892 2975734 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 1.64 3 4 0 -21.3397754044009 2975732 CC1(C2(CCC1(CC2=O)C(=O)NC3=CC=C(C=C3)SC(F)F)C)C 1 3.944 1 2 -10.2036914570363 2975730 CC1CCCN(C1)C(=O)CCS(=O)(=O)CC2=CC=CC=C2 1 2.113 1 3 -12.9554351612228 2975724 CC1=C(C=CC(=C1)S(=O)(=O)NC(C)C)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.359 2 6 0 -18.9865411679263 2975715 CC1CN2C(=NN=C2S1)C3=CC(=CC=C3)NC(=O)C 1 1.724 4 1 0 -4.67759119811527 2975709 C1COC2=C(O1)C=CC(=C2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3 1 2.033 1 5 -14.8422154213981 2975702 CN1CCC(C(C1)C(=O)C2=CC=CS2)(C3=CC=CS3)O 1 2.452 1 2 -1.31463384984947 2975701 COC1=CC(=C(C=C1C2=NOC(C2)C(=O)NCC3=CC=CS3)Cl)OC 1 2.76 2 4 -13.7318757970684 2975700 COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.892 3 4 0 -12.1613204801293 2975693 CCCCCN1C=C(C2=CC=CC=C21)C(=O)C(=O)N3CCOCC3 1 3.101 2 3 -13.9871368466715 2975690 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)NC3=CC=CC(=C3C)C 1 3.399 3 5 0 -9.34940452273201 2975689 CCOC1=C(C(=CC(=C1)CNCCSC2=NN=NN2C)Br)OCC3=CC=CC=C3F.Cl Cl- 1 4.263 5 2 0 -15.8294867807085 2975688 C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3F)C(=O)C4=CC=CC=C4 1 5.015 4 2 -11.9513956071824 2975679 CC1=CC=C(C=C1)CSCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.318 2 4 -7.87536672364499 2975677 CCOC(=O)N1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Br 1 2.601 2 3 -10.4220094608637 2975676 CC1=CC=CC=C1CN2C3=CC=CC=C3N=C2CCCNC(=O)C 1 3.511 3 1 -12.0688570773024 2975664 CCOC1=CC=C(C=C1)NC(=O)C(=S)NC2CCCCC2 1 3.588 2 2 -8.37639962861345 2975642 CC1=CC(=C(C=C1OC)C)NC(=O)COC2=CC3=C(C=C2)OCO3 1 3.174 1 5 -7.7284079256648 2975632 COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)NC34CC5CC(C3)CC(C5)C4)OC 1 2.918 2 4 -9.14505410654276 2975612 CC1=CC=C(O1)C2CC(=O)NC3=CC4=C(C=C23)OCO4 1 1.657 1 4 0 -9.06586187150696 2975605 CN1C2=CC=CC=C2C3(C1=O)OCC(O3)COC4=CC=C(C=C4)Cl 1 3.05 1 4 3.12040249776717 2975595 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3 1 3.591 2 3 -10.099534310994 2975593 CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCOCC2 1 2.418 3 4 0 -17.4343169804037 2975592 CSC1=CC=CC=C1C(=O)NCCSC2=CC=CC=C2 1 3.77 1 1 -12.1299395346323 2975570 C1=CC2=C(C(=C1)OCCNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N=CC=C2 1 2.454 3 5 0 -12.7113404198046 2975559 COC1=CC=CC=C1C(=O)NC2=CNC(=O)NC2=O 1 -0.539 3 4 0 -15.3363955963969 2975556 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3 1 2.444 3 3 -14.0927170851173 2975548 CC1(C2(CCC1(CC2=O)C(=O)NC3=C(C=CC(=C3)F)F)C)C 1 2.991 1 2 -8.30431861494563 2975521 COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)C3CC(=O)NC3 1 1.458 2 4 0 -7.00234298013473 2975515 CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CSCC3=CC=CO3 1 3.416 2 4 -21.2718656014442 2975507 CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC(=O)C3=CC=CC=C3N2 1 3.414 3 3 -19.7256105109369 2975504 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)N(C)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.145 2 5 0 -3.78818502557885 2975495 C1CN(CC(C1(C2=CC=CC=C2)O)C(C3=CC=CC=C3)O)CC4=CC=CC=C4 1 3.842 1 2 2.55342841771819 2975471 CCOC(=O)C1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.56 2 7 0 -25.7523731318467 2975470 CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC(=CC=C4)F 1 2.248 5 4 0 -8.31774720460115 2975465 CC(C1=CC=CC=C1)NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)C(F)(F)F)Cl 1 5.81 1 2 1.87983668571568 2975449 CC1(C2(CCC1(OC2=O)C(=O)NNC(=O)C3=CC=C(C=C3)F)C)C 1 1.99 2 4 0 -10.9952098298015 2975426 C1C(OC2=CC=CC=C2O1)C3=NN=C4N3N=C(S4)CCC5=CC=CC=C5 1 3.642 4 2 -1.87758749242862 2975411 CC(=O)N1C(CC(=N1)C2=CN=CC=C2)C3=CC=CC=C3O 1 1.359 3 2 0 -4.6306762301932 2975408 C1CC(OC1)CNC(=O)CSC2=C(N=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.379 2 5 0 -19.2273639033253 2975401 C1=CC=C2C(=C1)C(=O)C3=C(N2)C=CC(=C3)F 1 3.159 1 1 -2.28840463573599 2975398 COC1=CC=CC=C1OCCNC(=O)C2CCCCC2 1 3.115 1 3 -10.8499648242408 2975394 C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Br)N 1 4.045 3 1 -6.97286256820173 2975390 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)Cl 1 3.245 3 4 0 -13.8739288251741 2975387 CC(C)C(C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)OCC=C 1 4.442 1 2 -14.4405252526113 2975385 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)S(=O)(=O)C 1 0.563 4 8 0 -24.3501803963514 2975372 CCCCN1C2=CC=CC=C2N=C1NCC3=CC=NC=C3 1 3.191 4 0 -7.29322266130253 2975362 CCC(=O)NCC1=NC2=CC=CC=C2N1CC 1 1.887 3 1 0 -7.4368509817387 2975356 CC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(C2=O)C4=CC=C(C=C4)C 1 3.199 2 3 -9.81768509509921 2975355 CS(=O)(=O)N(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5 1 1.289 3 7 0 -11.0911898450572 2975347 COC1=CC(=C(C=C1C2=NOC(C2)C(=O)N3CCC4=CC=CC=C4C3)Cl)OC 1 3.301 2 4 -15.9894239109156 2975346 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)C4=CC=CC=C4 1 1.907 6 2 0 -19.8716435604882 2975345 CCC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.332 1 4 -3.2032981205053 2975334 CC1=CC=C(S1)CNCC2=CN=CC=C2.Cl Cl- 1 1.686 2 0 0 3.27514026651423 2975324 C1CN(CCC1N=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4 1 2.743 6 3 0 5.21536753438152 2975318 CCCC(=O)NCC1=NC2=CC=CC=C2N1CC(=O)C3=CC=CC=C3 1 3.251 3 2 -16.8355579643742 2975312 CC1=C(C2=CC=CC=C2N1CC(=O)NC(C)C3=CC=CC=C3)C#N 1 3.374 3 1 -13.2497844120028 2975301 CC1=CC(=CC=C1)CC2CC(=O)N(C2=O)C3=NC4=CC=CC=C4S3 1 4.052 2 2 0.432846161118926 2975271 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=CO3 1 2.502 1 5 -12.62376969062 2975263 CN(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)OC 1 2.393 3 6 0 -19.7010364555509 2975259 CCN1C2=CC=CC=C2N=C1C(C)NC(=O)C 1 1.705 3 1 0 -6.77807351675862 2975257 CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3CCCO3 1 1.188 3 3 0 -17.3920533497571 2975239 CC1=CC=C(C=C1)CCN=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-] 1 3.439 5 3 0 0.471659120111713 2975232 COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)NC34CC5CC(C3)CC(C5)C4)OC 1 2.59 2 4 -7.37354513300573 2975229 CCOC1=C(C=C(C=C1Cl)CNCC2=CC=NC=C2)OC.Cl Cl- 1 2.781 2 2 -2.38040332091705 2975228 CC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SCC(=O)N4CCCC5=CC=CC=C54 1 4.307 3 3 -21.4493242291885 2975227 C1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N 1 1.305 2 3 0 -9.24630811791177 2975218 C1=CC=C(C(=C1)OCCNC2=NC=C(C=C2)[N+](=O)[O-])Cl 1 2.745 3 3 -4.56923901913986 2975216 CC(C(C1=CC=CC=C1)O)NCC2=CC=CC=C2Cl.Cl Cl- 1 3.482 1 1 -0.956494180326533 2975215 CCN(CC)CCN1C2=CC=CC=C2C=C1C(=O)OCC.Cl Cl- 1 3.661 2 2 -4.54253049847737 2975207 CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)NC(=O)C4CCCO4 1 3.21 3 2 -5.59257159838564 2975205 CC1=C(C=C(C=C1)NC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C)F 1 2.696 3 2 -8.85230039494307 2975186 CN1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)F 1 1.729 3 4 0 -5.1756635562892 2975184 C1C=CCC2C1C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)Br 1 1.819 2 3 0 -6.67610508443346 2975170 CC1=C(C=CC(=C1)OC)CCCC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3 1 4.34 5 2 0 -11.466215574112 2975168 CC1=CC(=NO1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=C4O 1 2.12 3 5 0 -12.4160730713485 2975166 C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)NC4=CC=CC=C4 1 1.534 7 4 0 -15.6988784263654 2975165 COC1=CC=CC=C1NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 3.748 2 4 -12.6330802367585 2975162 CC1=CC(=C2C(=C1)C3C=CCC3C(N2)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)C 1 3.769 2 3 -10.6701479303724 2975159 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=CC=CC=N2 1 2.62 2 2 -12.4193983424412 2975156 CCC(CC1=CC=CC=C1)NC(=O)CCC2=CC=CC=C2 1 4.335 1 1 -10.7498635741468 2975147 CC(C(=O)NC1CCCC1)N2C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.845 2 2 -10.2136707126929 2975144 CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)C(=O)O 1 5.26 2 4 1.68693358366509 2975130 C1CCC(CC1)NC(=O)C(=S)NCCC2=CC=CC=C2 1 3.584 2 1 -7.27954492823056 2975129 CCC1=CC=C(C=C1)NC2CC(=O)N(C2=O)C3=C(C=C(C=C3)OC)OC 1 3.244 2 4 -8.98679887031961 2975122 C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.325 3 5 0 -8.36291331609477 2975117 CCOC(=O)C1C2CC=CC2C3=C(N1)C=CC(=C3)Br 1 3.32 1 2 0.177398935563114 2975115 COCCNC(=O)CN1C=C(C2=CC=CC=C21)C(=S)N3CCOCC3 1 1.783 3 3 0 -22.995381092637 2975111 C1CCN(CC1)C2=NC(=NC(=N2)OCCNC(=O)NC3=CC=CC=C3)N4CCOCC4 1 1.946 7 3 0 -9.09311573170473 2975106 CC(C1=NC2=CC=CC=C2N1CC3=CC=CC=C3F)NC(=O)C4=CC=C(C=C4)F 1 5.015 3 1 -12.549153717572 2975102 C1C=CC2C1C(NC3=C2C(=C(C=C3Cl)Cl)Cl)C(=O)O 1 3.99 1 2 1.09371127505144 2975100 C1CC(OC1)CNC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 1.927 3 3 0 -13.0115026064756 2975078 CCC(CC1=CC=CC=C1)NC(=O)C2CC2 1 2.937 1 1 -6.70718596322933 2975076 CC(C1=CC=CC=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4CC4 1 3.847 2 2 -17.6821292597983 2975073 CC1CN(CCN1C(=S)NC2=CC=C(C=C2)C(=O)C)C(=S)NC3=CC=C(C=C3)C(=O)C 1 5.59 4 2 -15.3617398455396 2975070 CCN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 0.697 2 6 0 -18.9452370115094 2975066 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CC3CCC2C3 1 1.726 2 3 0 -0.589614277460465 2975063 CC(C(C1=CC=CC=C1)O)NCC2=CC=C(C=C2)SC.Cl Cl- 1 3.359 1 1 2.41655180744321 2975057 CCCCC(CC)C(=O)NC1=CC=CC=C1C(=O)NC(C)C 1 3.838 2 2 -18.4580478591656 2975053 C1CC(OC1)CN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CC6CCCO6)C2=O 1 1.52 2 6 0 -8.71732421746903 2975050 CCC1CCCCN1C(=O)C2CC(=NO2)C3=CC(=C(C=C3OC)OC)Cl 1 3.461 2 4 -12.3782790976266 2975044 C1C(ON=C1C2=CC=CC=C2Cl)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.814 2 4 -6.0995298036714 2975034 COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3C(=O)O)N4CCOCC4 1 2.879 3 6 0 -7.60741777968526 2975033 COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCCC(C2)CO)OC 1 2.887 2 5 0 -16.6427415589511 2975025 CC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3 1 2.078 2 4 -14.6582695816908 2975022 CCOC(=O)C1CCN(CC1)C(=O)CCS(=O)(=O)CC2=CC=CC=C2 1 1.553 1 5 0 -15.3469568640853 2975021 CCCCC(=O)NC1(C(=C(N(C1=O)CC2=CC=CO2)C)C(=O)OC)C(F)(F)F 1 2.172 2 5 0 -13.3742208873032 2975020 C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C4 1 2.724 7 4 0 -12.1228801798828 2975014 CCC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCC2CCCO2 1 2.726 2 3 -24.2052660253813 2975013 CC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O 1 1.698 2 6 0 -16.3968034748287 2975008 C1=CC=NC(=C1)CNC(=O)CSCC2=CC=C(C=C2)Br 1 2.834 2 1 -14.6145706313698 2975006 C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=C(C=C4)F 1 3.78 1 1 -5.6985792817023 2975004 CC1=CC=C(C=C1)NC2CC(=O)N(C2=O)CC3=CC=CC=C3 1 2.827 2 2 -6.61417893240828 2974995 CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3 1 2.116 2 5 0 -19.3985072155553 2974992 C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)O 1 4.124 1 2 -0.181194506959664 2974991 C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)COC4=CC=CC=C4Cl)[N+](=O)[O-] 1 4.346 4 4 0 -4.5417749801154 2974986 C1CC(N(C1)C(=O)NC2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.16 3 4 0 -13.2147977040523 2974984 C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)CNCCCCO)F.Cl Cl- 1 3.991 1 2 1.32543348549922 2974961 CC1=C(C=CC(=C1)S(=O)(=O)NC(C)C)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.511 3 6 0 -13.9970782741609 2974951 COC1=CC=CC=C1NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O 1 1.423 2 4 0 -16.0709602601742 2974949 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCCSCC2=C(C=CC=C2Cl)F 1 3.016 2 3 -14.6993898580256 2974938 C1CCC(CC1)NC(=O)C(=S)N2CCCC2 1 2.676 2 1 -9.77208736574286 2974923 CCOC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C(=O)N3CCOCC3 1 1.372 2 5 0 -15.8641313580466 2974920 COC1=C(C=CC(=C1)CNCC2=CC=CC=N2)OCC(=O)N.Cl Cl- 1 0.836 3 3 0 -8.75308411296225 2974916 C1CC(OC1)CNC(=O)C2CC(=NO2)C3=CC=CC=C3Cl 1 1.828 2 3 0 -10.4539304224101 2974912 CC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C=CC(=C2)NC(=O)CCCC(=O)O)N3CCCCC3 1 4.266 3 4 0 -14.0018349913475 2974897 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CC(=NO3)C4=CC(=C(C=C4OC)OC)Cl 1 2.106 4 5 0 -19.342151863544 2974894 C1CCCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.67 2 3 -13.5070942804944 2974885 C1CCN(C(C1)C2=CN=CC=C2)C(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=CC=C5 1 4.213 5 1 -8.37385866362754 2974882 CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=NC=C(S3)Br 1 1.57 4 2 0 -10.9739090001544 2974879 CCC1=NN=C(S1)N2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)O 1 3.198 3 2 -4.95800133739019 2974868 CN(C)S(=O)(=O)N(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3 1 1.344 4 3 0 -8.83271337325813 2974855 CC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCCO2 1 1.217 2 3 0 -23.3494684061522 2974853 CC(C)(C)NC(=O)COC1=CC=C(C=C1)CNCC2=CC=CC=N2.Cl Cl- 1 1.99 3 2 0 -10.1313182702863 2974846 CCOC(=O)N1CCN(CC1)C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl 1 2.653 3 6 0 -18.2287278619739 2974838 CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CN3CCC4=CC=CC=C43 1 3.922 3 3 -26.7713370789067 2974834 CNC1=C(C=CC(=C1)N2CCCCCC2)[N+](=O)[O-] 1 3.068 3 2 -3.0035046411732 2974818 C1=CC=C2C(=C1)NC(=N2)CNC(=O)C3=C(C(=C(C(=C3F)F)F)F)F.Cl Cl- 1 3.357 3 1 -7.20052416291585 2974815 C1CC(OC1)CNC(=O)CCS(=O)(=O)CC2=CC=CC=C2 1 1.029 1 4 0 -20.2058440514377 2974813 C1C(ON=C1C2=CC=CC=C2Cl)C(=O)NCC3=CN=CC=C3 1 1.903 3 2 0 -9.0114350234375 2974805 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3CCCO3 1 1.266 2 5 0 -27.2859405722524 2974800 CCNC(=O)C1=CC=C(O1)C23CC4CC(C2)CC(C4)C3 1 3.483 1 2 -3.19317660490679 2974799 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3Cl)F)F 1 3.256 2 3 -12.7915420919629 2974795 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=CC5=CC=CC=C5C=C4 1 3.526 4 4 0 -1.23232013662935 2974785 COC1=C(C=CC(=C1)CNCC2=CC=CC=N2)OCC3=CC(=C(C=C3)Cl)Cl.Cl Cl- 1 4.895 2 2 -2.04778104964257 2974778 CCOC1=CC=CC(=C1)C(=O)NC(C2=CC=CC=C2)C(C)C 1 4.174 1 2 -9.66410052182503 2974776 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC=CO3 1 1.854 2 4 0 -17.3102017370585 2974774 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=NC=C3)Cl 1 1.843 3 4 0 -19.8487751981816 2974760 C1C2C=CC1C3C2C(=O)N(C3=O)C4=NNC(=N4)CCC5=CC=CC=C5 1 2.384 4 2 -0.215626478303253 2974758 COCCNC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3F 1 2.867 2 3 -18.4974163647329 2974740 CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CS3)C(=O)NCC4CCCO4 1 4.718 2 2 -11.754286793245 2974739 CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2SC)O 1 2.929 1 2 -11.7938611501558 2974738 CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl 1 2.292 2 6 0 -21.2289930820705 2974735 CCOC(=O)C1CCCN(C1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CC=C4 1 3.646 4 3 0 -16.9921897294232 2974731 CN(C1=CC=CC(=C1)NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C)S(=O)(=O)C 1 3.11 3 5 0 -8.70108662848687 2974727 CN(C1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)F)OC)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.864 2 5 0 -3.0763080001136 2974724 CCN1C=C(C2=CC=CC=C21)C(=S)N3CCC(CC3)C(=O)N 1 2.99 3 1 -7.77297563576571 2974716 CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)CN3CCOCC3 1 2.016 5 2 0 -11.3239219316841 2974705 CN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C(CO)NC(=O)C3=CC=C(C=C3)OC 1 3.96 4 3 0 -14.3213251078582 2974702 CC1=CC2=C(N=CN=C2S1)NCCC3=CC=CC=C3.Cl Cl- 1 3.51 3 0 5.08970640371284 2974700 C1COCCN1C2=CC(=NC=N2)NC(=NS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 3.381 5 3 0 -7.54135983644714 2974695 C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)CNCC3=CC=NC=C3.Cl Cl- 1 3.573 2 1 2.27924301427353 2974687 C1CC1NC(=O)CSCC2=CC=C(C=C2)Br 1 2.676 1 1 -12.202420148042 2974685 COC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3)[N+](=O)[O-] 1 3.967 3 5 0 -16.5347613487329 2974683 CN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 0.421 1 6 0 -18.2622566833924 2974679 CN(C1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)OC)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.642 2 6 0 -4.03237838581355 2974667 CC(=O)N1C(=NC(=N1)C2=CC=CC=C2)NCC3=CC=C(C=C3)N(C)C 1 2.823 5 1 -4.67538340345024 2974658 COC1=CC(=CC(=C1OC)OC)C2C3=C(C=CC4=CC=CC=C43)NC5=C2C(=O)NC(=O)N5 1 3.303 3 5 0 -15.113851309393 2974655 COCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CO3 1 0.704 2 5 0 -17.0374171937776 2974652 CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)N(C1=O)CC 1 3.251 3 2 -8.22267268332722 2974648 CC1=CC2=C(N=CN=C2S1)NCCC3=CC(=C(C=C3)OC)OC.Cl Cl- 1 3.477 3 2 1.35360246675763 2974644 COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C 1 0.617 2 5 0 -16.3961111664741 2974639 C1CCN(CC1)C(=S)C(=O)NCCC2=CC=CC=C2 1 3.179 2 1 -11.1806501930238 2974628 CCOC(=O)C1CCN(CC1)C(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 3.547 2 6 0 -22.0020974826336 2974625 C1COCCN1C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC4=C(C=CC=C4Cl)F 1 3.77 2 3 -12.7920487210068 2974618 CCCCN1C(=O)CC(C1=O)NC2=CC=C(C=C2)CC 1 3.029 2 2 -8.06224993768653 2974616 C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)CC3=CC=C(C=C3)Cl 1 2.763 1 4 -5.88433159727995 2974614 CCOC1=C(C=CC(=C1)CNCC2=CC=CC=N2)OCC(=O)NC(C)(C)C.Cl Cl- 1 2.322 3 3 -15.2351039345066 2974597 COC1=CC(=C(C=C1C2=NOC(C2)C(=O)O)Cl)OC 1 1.858 1 5 0 -7.96043649550222 2974588 C1=CC=C(C=C1)CN2C3C(C(=N2)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)NC3=O 1 1.746 4 4 0 -5.92634664020532 2974583 C1CCCC(CC1)NC(=O)C(=S)NC2CCCCC2 1 3.994 2 1 -6.31599611215696 2974550 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NCC3CCCO3 1 1.59 2 5 0 -20.8817162848263 2974544 CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)F)C(=O)NC 1 2.682 4 1 -15.9573576668541 2974537 C1COCCN1C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4 1 2.9 2 3 -12.8680660048298 2974536 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)CC3=CC(=CC(=C3)C)C 1 4.399 1 2 -3.1457699437255 2974524 CC1=CC2=C(N=CN=C2S1)NC3=CC=CC=C3.Cl Cl- 1 3.346 3 0 8.34828458114402 2974501 C1CCC2=C(C1)N=C(S2)NC(=O)CCSC3=CC=CC=C3 1 3.643 2 1 -8.86027238790773 2974496 CC1(C2(CCC1(OC2=O)C(=O)NCC3=CC=C(C=C3)F)C)C 1 2.74 1 3 -10.2069343371029 2974492 CC1(C2(CCC1(CC2=O)C(=O)NC3CCCC3)C)C 1 2.405 1 2 -12.6012626239512 2974488 CC1=CC(=CC=C1)N2N=C(C(=[N+]2[O-])N3CCN(CC3)C(=O)C4=CC=CO4)[N+](=O)[O-] 1 1.84 6 5 0 0.401328885200062 2974484 C1=CC=C(C=C1)CNC(=O)CSC2=NN(C(=N2)SCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4 1 4.805 5 2 0 -13.5722547594396 2974477 COC1=CC(=C(C=C1C2=NOC(C2)C(=O)NCCC3=CC=CC=C3)Cl)OC 1 3.342 2 4 -11.9556921353696 2974470 COC1=C(C=C(C=C1)F)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)N 1 1.824 2 4 0 -11.5819753030783 2974467 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.597 2 6 0 -14.6479500908582 2974465 CCN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCO.Cl Cl- 1 1.093 5 1 0 7.05690179183481 2974462 CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CN4CCOCC4)O 1 1.65 4 3 0 -7.59382013349277 2974453 COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3CCCO3)OC 1 2.468 2 4 -12.5493471304438 2974445 C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C4=CC=CC=C43)C(=O)C(=O)N5CCOCC5 1 2.24 3 4 0 -21.394374831471 2974441 COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)[N+](=O)[O-] 1 2.751 3 4 0 -4.07402469771111 2974425 CC1CCCN(C1)S(=O)(=O)CC2=CC=C(C=C2)Cl 1 2.854 1 2 -12.5456696229243 2974424 CC1CN(CC(O1)C)C(=O)C(C)OC2=CC=C(C=C2)OC 1 1.989 1 4 0 -13.3517689712446 2974420 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 4.879 3 3 -16.7498098850204 2974405 CC1=CC(=NO1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC 1 1.008 3 4 0 -14.0490694338578 2974390 CC1=NN=C(S1)SCC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.309 3 1 -18.2887344578076 2974386 CC1=C(C=C(C=C1)C(=O)NC2CCS(=O)(=O)C2)S(=O)(=O)N3CCOCC3 1 -0.164 2 6 0 -28.1850213146833 2974385 COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 3.465 4 4 0 -25.3393696303134 2974363 COC1=CC=C(C=C1)C2=NN(C3C2C(=O)NC3=O)CC4=CC=CC=C4 1 1.835 3 3 0 -4.24491506199223 2974355 C1CC1NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 1 3.19 2 3 -13.3747544553011 2974347 CCNC1=C(C=CC(=C1)N2CCN(CC2)C)[N+](=O)[O-] 1 2.001 4 2 0.16112260452507 2974335 CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CN4CCCC4)O 1 2.423 4 2 -4.8407454084126 2974330 C1COCCN1C(=O)C(=O)C2=CN(C3=CC=CC=C32)CCCOC4=CC=CC=C4 1 3.011 2 4 -14.1602123908826 2974324 CC(C1=CC=CC=C1)NC(=O)C(=S)N2CCN(CC2)C 1 2.275 3 1 -7.82464979666662 2974313 COC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CC=C(C=C3)C(=O)OC)OC 1 2.382 1 5 -11.9483421797895 2974302 C1CCN(CC1)C(=S)C(=O)NCC2=CC=CO2 1 2.039 2 2 -12.1214281185022 2974300 CCCC(=O)NCC1=NC2=CC=CC=C2N1C 1 1.995 3 1 0 -12.5945541449053 2974294 CN(C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=C(C=C4)OC 1 3.534 3 5 0 -8.10039319855044 2974290 CC1=CC(=C(C(=C1N(C)S(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)NC)C 1 2.893 2 4 -7.70824374169977 2974285 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC3CCCO3 1 2.575 2 3 -9.90364990748938 2974284 CC1=NN(C(=C1)NC(=O)C2CC(=NO2)C3=CC(=C(C=C3OC)OC)Cl)C4=CC=CC=C4 1 3.647 4 4 0 -13.538621514995 2974279 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NC3CC3 1 1.721 2 4 0 -14.9884319360336 2974277 CCOCCC(=O)NC1=NN=C(S1)CCC2=CC=CC=C2 1 2.173 3 2 -16.6452340669373 2974262 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CN=CC=C3 1 1.195 3 3 0 -21.8624054790071 2974259 CNCC1=C(C=CC2=CC=CC=C21)OCC3=CC=C(C=C3)F.Cl Cl- 1 4.048 1 1 3.29875538282844 2974257 CC(C(=O)N)N1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 0.94 2 3 0 -2.90105450007101 2974256 C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC(=O)NC3=CC=C(C=C3)Cl)N 1 3.014 4 2 -10.0697788922726 2974249 C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC(=C(C=C3)Cl)Cl)NCCO.Cl Cl- 1 3.486 4 1 6.29655287013361 2974246 COC1=CC(=C(C=C1C2=NOC(C2)C(=O)N3CCCC4=CC=CC=C43)Cl)OC 1 3.75 2 4 -12.8008277517902 2974245 COC1=CC(=C(C=C1C2=NOC(C2)C(=O)NC3=CC4=C(C=C3)OCO4)Cl)OC 1 2.781 2 6 0 -10.7318402662809 2974240 CC1=CC=C(C=C1)C(=O)C(C)N(C(=O)C2=C(C=C(C=C2)Cl)Cl)N3C(=O)CCCC3=O 1 4.464 2 4 -2.7281810064775 2974225 CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 3.079 3 6 0 -19.1080856565414 2974212 CS(=O)(=O)NC1=CC=CC=C1C(=O)NCC2=CC=CC=C2Cl 1 2.197 2 3 -14.6933216440469 2974206 COC1=C(C=C2C(=C1)C=CN=C2C(=O)C3=CC(=C(C=C3Br)OC)OC)OC 1 4.103 1 5 -6.62605751051902 2974202 CC1=CC=C(C=C1)C(=O)CN(C(=O)C2=CC(=C(C=C2)Cl)Cl)N3C(=O)C4CCCCC4C3=O 1 4.989 2 4 -3.41194280726891 2974201 CC1=CC=C(C=C1)NC2CC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.715 3 4 0 -8.41019844644893 2974200 CC1(CC1(Cl)Cl)C(=O)NCCC2=CC=C(C=C2)Cl 1 3.354 1 1 -3.95219263737209 2974195 C1CCCC(CC1)NC(=O)C(=S)NCC2=CC=CC=C2 1 3.719 2 1 -7.25961372300582 2974193 CCCNC(=O)CCC(C(=O)NCCC)NS(=O)(=O)C1=CC=C(C=C1)C 1 1.796 3 4 0 -25.3479575513809 2974180 C1C(ON=C1C2=CC=CC=C2Cl)C(=O)NCCCN3C=CN=C3 1 1.274 4 2 0 -6.13022073665578 2974173 C1CC(OC1)CNC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-] 1 2.935 4 4 0 -8.6928760180548 2974169 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C4CC(=O)NC4 1 1.727 3 3 0 -16.0190113267968 2974160 CC1=C(C(=CC=C1)NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O)C 1 2.412 2 3 -11.5329862407128 2974153 COC1=C(C=C(C=C1)CCNC2=NC=NC=C2)OC.Cl Cl- 1 1.798 3 2 0 -3.84750612345584 2974150 CC1C(NC(=O)N1)CCCCCC(=O)NCCC2=CC=CC=C2 1 2.497 3 2 -19.2827395202 2974148 C1C=CCC2C1C(=O)N(C2=O)C3=NC=NN3 1 0.313 4 2 0 -5.43899998161861 2974129 C1COCCN1C(=S)C(=O)NCC2=CC3=C(C=C2)OCO3 1 1.396 2 4 0 -13.2314918309604 2974126 CC1CCN(CC1)C(=O)C(C)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C 1 2.838 2 3 -11.5643657190636 2974122 COC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NS(=O)(=O)C 1 1.516 2 4 0 -13.5742354256952 2974118 COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)OC 1 4.411 3 4 0 -14.9897974593344 2974112 COC(=O)COC1=CC=C(C=C1)NC(=O)C2CCCO2 1 0.973 1 5 0 -17.669378323521 2974110 CC(C)C1=CC=C(C=C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-] 1 3.605 5 5 0 2.21321928141663 2974096 C1=CC(=CC=C1CNS(=O)(=O)CC2=CC=C(C=C2)Cl)S(=O)(=O)N 1 1.701 2 4 0 -8.23888886650802 2974095 CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3 1 1.345 5 3 0 -5.21307236144769 2974087 CN(C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.662 2 5 0 -14.6854398848499 2974073 CC1CN2C(=NN=C2S1)C34CC5CC(C3)CC(C5)C4 1 3.495 3 0 -0.606101513932928 2974042 COC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.748 2 5 0 -26.066723883824 2974040 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3CCCO3)Cl 1 1.768 2 5 0 -23.5115357696069 2974031 CSCCC(C(=O)NC1CCCC1)NC(=O)C2=CC=CC=C2 1 2.311 2 2 -21.4213158671082 2974026 CSC1=CC=CC=C1C(=O)NCC2CCCO2 1 1.938 1 2 0 -17.1958378308344 2974019 CC(C(C1=CC=CC=C1)O)NCC#CC2=CC=CC=C2.Cl Cl- 1 3.408 1 1 0.351417509076473 2974018 CCOC1=C(C(=CC(=C1)CNCC2=CN=CC=C2)Br)OCC(=O)N.Cl Cl- 1 1.718 3 3 0 -9.60858508901044 2974011 CC1=CC=C(C=C1)NC2CC(=O)N(C2=O)CCC3=CC=CC=C3 1 3.149 2 2 -6.92260367534397 2974009 C1CC(OC1)CNC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 3.6e-002 2 6 0 -28.6641268762539 2973996 CC1=CC(=C(C=C1C2C(=C(OC3=NNC(=C23)C)N)C#N)CN4CCCC4)C 1 3.497 5 1 -3.76346395571325 2973993 C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC4=C(C=C3)NC(=O)N4 1 1.928 5 2 0 -15.4241575923216 2973984 CC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SCC(=O)NCC4CCCO4 1 2.352 3 4 0 -27.1395240620226 2973983 CC1CCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)N(C)C 1 0.972 3 3 0 -15.0617593152898 2973979 CCC1=CC=CC(=C1NC(=O)C2CCCN(C2)S(=O)(=O)C)C 1 2.19 2 3 -13.1406316924584 2973977 C1C(C=CS1(=O)=O)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.236 1 3 2.59542178448632 2973964 CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CC=C4Cl 1 2.706 5 4 0 -10.9477603567617 2973957 COC1=CC(=C(C=C1)OC)NC2=NC3=CC=CC=C3C(=N2)NCCO.Cl Cl- 1 2.125 4 3 0 2.5265644487682 2973952 CC1=C(C(=O)N=C(N1)SCCOC2=CC=CC=C2)CC3=CC=CC=C3 1 4.535 2 2 -12.9600560380954 2973944 CC(C)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3OC2=O 1 3.376 2 3 -4.41867055628071 2973939 CC1CCCN(C1)C2=C3C(=C(SC3=NC=N2)C)C.Cl Cl- 1 3.681 3 0 -2.72558006374067 2973935 C1CCN(CC1)C(=S)C2=CC(=C(C=C2)N3CCCC3)Br 1 4.956 2 0 -2.57417556333204 2973932 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.067 3 4 0 -11.2441093403935 2973919 CCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)N(C)C 1 1.254 4 4 0 -22.1936397319361 2973911 C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CS3)C4=CC=CC=C4O 1 4.127 2 2 -8.082880662574 2973901 CN(C)S(=O)(=O)N(CC(=O)NCC1=C(C=C(C=C1)Cl)Cl)C2=CC=CC=C2 1 2.51 3 3 -14.1542513198359 2973900 CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC4CCCO4 1 4.764 2 2 -9.06255694249933 2973881 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NS(=O)(=O)N4CCCCC4 1 2.736 2 4 -7.73008053601961 2973864 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)NC(=O)C5CC5 1 2.789 2 4 -19.7662696868614 2973863 CCN1C2=C(C=C(C=C2)Br)C(C1=O)(C3COC(CC3=O)(C)C)O 1 1.56 1 4 0 -3.13344706182999 2973852 CC(=O)NC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C 1 3.113 3 4 0 -10.3314418001864 2973848 C1C(OC2=CC=CC=C2O1)C3=NN=C4N3N=C(S4)C5=CC=CS5 1 3.104 4 2 -4.36667384871449 2973838 CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CN3CCOCC3 1 1.863 3 4 0 -21.1824082219358 2973832 C1CN(CCN1CCN2C(=O)C3=CC=CC=C3C2=O)C4=NC(=CS4)C5=CC(=CC=C5)[N+](=O)[O-].Cl Cl- 1 2.849 5 4 0 -1.2111519306357 2973830 C1=CC=C(C=C1)CN2C3C(C(N2)C4=CC=CS4)C(=O)NC3=O 1 1.112 3 2 0 -4.96361393514605 2973827 COC1=CC(=C(C=C1)NC2CS(=O)(=O)C=C2)OC 1 0.986 1 4 0 -1.95350101404011 2973825 COC1=CC=C(C=C1)NC(=O)C(=S)N2CCCC2 1 2.378 2 2 -7.40845194505803 2973824 CCC(=O)NC1=CC(=C(C=C1)N2CCCCC2)C(=O)NC3=CC=C(C=C3)OC 1 3.465 3 3 -6.01308108221631 2973815 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4 1 4.301 3 2 -3.90424025609262 2973811 C1CC1NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 2.678 2 3 -12.4929316991159 2973807 COC1=CC=CC(=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CCCCC4C5=CN=CC=C5 1 4.625 5 2 0 -5.31908406043553 2973804 CCN(C1=CC=CC=C1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)N4CCOCC4 1 2.507 3 4 0 -18.0410952875697 2973800 CCCN1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)O 1 1.381 2 4 0 -7.60048697814223 2973798 CC(C1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3 1 2.822 1 4 -5.31516650570714 2973789 C1CC(OC1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 3.401 1 2 -11.9050961427416 2973785 CCOCCC1=NN=C(S1)NC(=O)C(C)OC2=CC=CC=C2 1 2.002 3 3 -15.3479379412924 2973784 COC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.372 1 4 -14.8588525337025 2973768 COC1=CC=CC=C1C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)N4CCC5=CC=CC=C5C4 1 4.476 4 2 -18.9103288214618 2973744 C1CC(OC1)C(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)Cl 1 1.366 3 3 0 -15.5700546591703 2973742 C1CCC(CC1)OCCN2CCN(CC2)CCOC3CCCCC3 1 3.732 2 2 2.32520207423227 2973728 C1CC(OC1)CNC(=O)C2=CC=CC=C2OCC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 3.345 2 4 -14.9424327712217 2973719 CC(C)CNC1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-] 1 3.348 3 2 -2.20108187334619 2973713 CC1=NC=C(C(=N1)N)CSC2=NC(=NS2)SC 1 1.857 5 0 0 -7.01813613112103 2973708 COC1=CC=C(C=C1)N2N=C(C(=NCCC3=CCCCC3)N2O)[N+](=O)[O-] 1 3.36 5 4 0 -3.32639756720281 2973697 CC1=C(C=CC(=C1)Cl)NC(=O)CN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O 1 5.169 2 2 -5.00597027947416 2973687 CC1=CC(=NO1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)CC(=O)O 1 2.027 3 6 0 -19.5136798063167 2973686 CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CN3C=NC4=CC=CC=C43 1 3.407 4 3 0 -23.1943303042263 2973675 C1=CC=C(C=C1)CCC2=NN3C(=NN=C3S2)CN4C=NC5=CC=CC=C54 1 3.442 6 0 -9.02005920505285 2973666 CCOC(=O)C1CCCN(C1)C(=O)C2=NOC(=C2)C3=CC=C(C=C3)C 1 3.233 2 4 -7.09391548659102 2973665 CC1=C(C(=C(C=C1)S(=O)(=O)NC2CCCCC2)C)NS(=O)(=O)C 1 2.482 2 4 -9.14672261299714 2973654 CC(C)(C)C(=O)C1=CN(C2=CC=CC=C21)CC(=O)OC 1 3.322 1 3 -10.9873440805812 2973644 CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)F)C(=O)COC 1 3.089 4 2 -2.92026291011679 2973636 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3(C5=CC=CC=C5)O 1 2.889 3 3 -8.42726346657899 2973630 CC1=CC=C(C=C1)N2C(=O)C(NC2=S)CC3=CC=CC=C3 1 4.242 2 1 -2.80887638964101 2973627 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CC4(CC3CC(C4)(C)C)C 1 4.464 2 2 -9.4904198122004 2973625 CC1=CC(=C(C=C1OC)C)NC(=O)C(=S)N2CCCC2 1 3.35 2 2 -7.60676155912334 2973623 C1CCC2C(C1)OC3(O2)C4=CC=CC=C4NC3=O 1 1.95 1 3 0 -4.60520752588223 2973622 CCC(=O)NCCC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=C(C=C3)F 1 2.777 4 2 -10.4360668368511 2973618 COC1=CC(=C(C=C1C2=NOC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl)OC 1 2.788 2 6 0 -12.718715796338 2973613 CC1=CC=C(C=C1)NC2CC(=O)N(C2=O)C3=CC=C(C=C3)N4CCCCC4 1 3.9 3 2 -5.69994621791576 2973603 CC1CCCC(C1C)NC(=S)NC2=CC=C(C=C2)C(=O)C 1 4.681 2 1 -12.1667097438698 2973586 COC1=C(C=C(C=C1)NC(=O)C2CC(=NO2)C3=C(C=CC=C3Cl)F)OC 1 3.219 2 4 -11.3125964178706 2973578 COC1=CC=C(C=C1)N2N=C(C(=NCCC3=CC=C(C=C3)Cl)N2O)[N+](=O)[O-] 1 3.601 5 4 0 2.14199479669662 2973574 CC1=CC2=C(N=CN=C2S1)NC3CCCCC3.Cl Cl- 1 3.463 3 0 2.2108707922153 2973573 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)N=C1CCNC(=O)C4=CC=CO4 1 3.169 4 3 0 -8.39589699467557 2973567 CC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 1 0.74 4 4 0 -23.8746365472358 2973564 C1COC2=C(O1)C=CC(=C2)N3N=C(C(=NC4=CC=C(C=C4)Cl)N3O)[N+](=O)[O-] 1 3.075 5 5 0 3.75175827535182 2973563 CC1=C(C(=C(C=C1)S(=O)(=O)N2CCCCC2)C)NS(=O)(=O)C 1 1.747 2 4 0 -12.2100472453566 2973558 C1C(OC2=CC=CC=C2O1)C3=NN=C4N3N=C(S4)CC5=CC=CC=C5 1 3.186 4 2 -2.34441676949969 2973556 CN1C2=CC(=C(C=C2N(C1=O)C)N(C)C)NC(=O)C3=CC=CC=C3Cl 1 2.715 4 2 -12.4117947557932 2973554 CCOC(=O)C1CCCN(C1)C(=O)NC2=CC=CC=C2 1 1.963 2 3 0 -10.0835382094921 2973547 CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 2.653 5 5 0 -17.8150453415957 2973536 CC1=CC(=NO1)NC(=O)C2CC(=NO2)C3=CC=CC=C3Cl 1 2.185 3 3 -12.2141025641806 2973532 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CCCO3 1 2.051 2 4 -16.4296164262984 2973527 CN1C(=O)CC(C1=O)NCCC2=CC(=C(C=C2)OC)OC 1 0.775 2 4 0 -10.0279336849883 2973526 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)N(C)C 1 1.515 3 5 0 -17.9467577273444 2973523 CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN.Cl Cl- 1 3.417 1 1 1.08024324613303 2973519 C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)NC3=CC(=CC=C3)Br 1 3.179 2 3 -4.84817704316434 2973496 CN(C)CCNC(=O)C1=C(C2=C(S1)N=C(C=C2C(F)(F)F)C3=CC=CC=C3)N 1 3.521 4 1 -0.189951531317041 2973494 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)CCC(=O)NC3=CC=CC=C3F 1 3.25 5 2 0 -18.4515276413955 2973493 C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC4=CC=CC=C4)C(=O)N 1 2.823 2 2 -7.4470439355239 2973489 C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC5=C(C=C4)C(=O)OC5 1 3.149 1 3 -9.41333833910283 2973487 C1COCCN1CCCN2C=NC3=C(C2=N)C(=C(N3CC4=CC=CO4)C5=CC=CC=C5)C6=CC=CC=C6 1 4.417 5 2 0 0.545901642670729 2973485 CC1=CC=C(C=C1)C(=O)NCCOC23CC4CC(C2)CC(C4)C3 1 3.536 1 2 -8.02333916821109 2973482 CC1CCCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C 1 3.809 2 2 -11.4881475123634 2973480 CCOC(=O)C(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)[N+](=O)[O-] 1 0.728 5 6 0 -11.473251069047 2973471 CCCCCN1C2=CC=CC=C2N=C1CNC(=O)CCC 1 3.78 3 1 -14.8119425279983 2973470 CC1=CC=C(S1)C2CC(=O)NC3=CC4=C(C=C23)OCCO4 1 2.233 1 3 -5.37264938983743 2973463 CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)F)S(=O)(=O)C 1 3.143 4 2 -2.55679624367639 2973461 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2CC(=O)NC2 1 0.795 2 3 0 -13.517789805834 2973453 COC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-] 1 1.449 2 7 0 -21.1682908118965 2973451 C1CC(OC1)CNS(=O)(=O)CC2=CC=C(C=C2)Cl 1 1.771 1 3 0 -10.9457516273252 2973444 C1C(C=CS1(=O)=O)NC2=CC(=CC=C2)Cl 1 1.683 1 2 0 3.83753811276473 2973420 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C(=O)NCC3CCCO3 1 2.132 2 6 0 -18.4556867859872 2973414 COC1=C(C=C(C=C1)CCN=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-])OC 1 2.921 5 5 0 -3.93942181740146 2973406 C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)N 1 1.216 3 4 0 -21.6382678774473 2973405 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNCC2=CN=CC=C2)OC.Cl Cl- 1 1.758 3 3 0 -15.8174319841358 2973404 CC1=CC(=C(C=C1)OC)NC2=NC3=CC=CC=C3C(=N2)N.Cl Cl- 1 3.084 4 1 2.45746365282825 2973401 COC1=CC(=CC(=C1OC)OC)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3 1 2.137 2 6 0 -20.7290986913044 2973394 COC1=CC=CC(=C1)C2CC(=NN2S(=O)(=O)C)C3=CC=CS3 1 2.479 2 3 -2.03430576294249 2973386 CC1=NN=C(S1)SCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 0.605 5 2 0 -25.575832052612 2973383 COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-] 1 3.499 3 4 0 -2.91303818471639 2973377 CS(=O)(=O)N(CC(=O)NCC1=CC=CO1)C2=C(C=C(C=C2)Cl)Cl 1 2.1 2 4 -16.7928532694366 2973375 CC1=CC(=C(C(=C1N(C)S(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)N3CCCCC3)C 1 4.016 2 4 -11.6561931078491 2973372 CC1=CC=C(C=C1)C(=O)CN(C(=O)C2=CC(=C(C=C2)Cl)Cl)N3C(=O)C4C5CC(C4C3=O)C=C5 1 4.22 2 4 -0.188816417691762 2973362 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.802 3 3 -12.8180997092341 2973349 CC(C)NC(=O)CN1C=C(C2=CC=CC=C21)C(=O)COC3=CC=CC=C3 1 3.355 2 3 -17.2296447729765 2973334 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3OC)N=C1CCNC(=O)C4=CC=CO4 1 2.948 4 4 0 -10.9714746032093 2973330 CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.219 4 4 0 -10.3386393435923 2973328 CC1CCCN(C1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 4.459 2 1 -0.227827875746024 2973325 CC(C(=O)NC1=CC(=C(C=C1)OC)OC)N2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.689 2 5 0 -12.6130019484175 2973303 CCOCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)C 1 1.563 3 5 0 -15.5623066231342 2973302 CC1CCCCN1C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-] 1 2.939 4 2 -6.80165076855527 2973298 CC1=C(C=CC=C1Cl)NC(=O)C2CCCN(C2)S(=O)(=O)C 1 1.912 2 3 0 -8.03281393780084 2973294 CC1=C(C(=NN1CC(=O)N2CCCC2)C)NC(=O)C3CC(=NO3)C4=CC(=C(C=C4OC)OC)Cl 1 1.818 5 5 0 -17.8738462839788 2973281 CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)S(=O)(=O)C 1 2.12 4 3 0 -4.5400732703295 2973277 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C(=O)N4C)C)[N+](=O)[O-] 1 3.145 5 5 0 -17.121431383097 2973267 CC(C)CN1C(=O)CC(C1=O)SC2=CC=CC=C2C(=O)O 1 2.312 1 4 -5.78115222875139 2973263 C1C2CC3CC1CC(C2)(C3)OCCNC(=O)C4=CC(=CC=C4)Br 1 3.798 1 2 -7.58146885368833 2973262 CCC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)C(=O)OCC 1 2.782 3 4 0 -18.5616655077179 2973251 C1CC(OC1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O 1 1.697 2 5 0 -16.6123776471319 2973244 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2 1 2.451 1 5 -14.8627516111248 2973241 CC(=O)NC1=CC=C(C=C1)OC(=O)CSC2=NC(=NS2)SC 1 2.708 3 3 -13.2427201104154 2973227 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(S2)Br)S(=O)(=O)N3CCOCC3 1 1.963 2 5 0 -12.4423304299891 2973223 C1=CC(=CC=C1CCNS(=O)(=O)CC2=CC=C(C=C2)Cl)S(=O)(=O)N 1 2.022 2 4 -8.53122574997318 2973218 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.225 5 3 0 -24.5497984232753 2973206 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3 1 2.173 3 3 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C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)NCCOCC(F)(F)F 1 3.12 1 4 -9.26683726886811 2972755 CC1=C(C(=CC=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3)C 1 4.511 3 2 -16.8745943362539 2972752 CCC(=O)NC(C)C1=NC2=CC=CC=C2N1CC=C 1 2.639 3 1 -11.6156091677163 2972746 C1COCCN1C(=O)C2=CC=C(O2)C34CC5CC(C3)CC(C5)C4 1 3.027 1 3 -3.28075764104443 2972740 CC1=C(C(=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C)C)NS(=O)(=O)C 1 2.687 2 4 -4.99491544790314 2972737 CC1(COC2(C3=CC=CC=C3NC2=O)OC1)[N+](=O)[O-] 1 0.863 2 5 0 -9.0953929406508 2972718 C1C(CNC1=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 3.352 2 3 -5.18621559240023 2972714 COC1=CC2=C(C=C1)NC=C2CCNC(=S)NCCC3=CC=CC=C3 1 4.744 3 1 -7.73416555221054 2972706 C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-] 1 4.102 4 4 0 -9.47241620453513 2972701 CC1(C2(CCC1(OC2=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C)C 1 4.147 1 3 -13.8654126233676 2972683 CC1=C(C=CC=C1Cl)N=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-] 1 3.776 5 3 0 4.62505727252534 2972670 CCC1=CC=C(C=C1)NC2CC(=O)N(C2=O)CCC3=CC(=C(C=C3)OC)OC 1 3.572 2 4 -11.1750078219635 2972664 CCOC(=O)N1CCC(CC1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Cl 1 3.223 5 4 0 -6.9540503220197 2972662 CCOC1=CC2=C(C=C1)N=C(N2)C(C)O 1 1.75 2 2 0 1.0861977526872e-002 2972652 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3CCCO3 1 2.37 2 4 -16.0104597309205 2972647 CS(=O)CCC(C(=O)O)NS(=O)(=O)C1=CC=CC=C1 1 -7.8e-002 1 5 0 -14.8167668321363 2972645 CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C(C)NC(=O)C3=CC=C(C=C3)OC 1 5.197 4 2 -16.4704593605401 2972635 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CO3)Cl 1 2.175 2 5 0 -21.4782574219481 2972628 CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CC=C3Cl)C(=O)N4CCOCC4 1 3.142 2 3 -11.6130013205676 2972624 CNCC1=CC=CC=C1OCC2=CC=CC=C2F.Cl Cl- 1 3.14 1 1 -2.34707174371532 2972622 CC(C)(C)C1=CC=C(C=C1)CN2C=C(N=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.748 3 2 2.5737830443826 2972618 CC(=O)NC1=CC2=C(C=C1)N(C(=N2)CCNC(=O)C3=CC=CO3)C 1 1.3 4 3 0 -9.57711548368443 2972612 CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CC3=CC=C(C=C3)Cl 1 4.024 3 2 -7.58230978807111 2972598 CCOC(=O)C1CCCN(C1)C(=O)NC2=CC(=CC=C2)Cl 1 2.627 2 3 -7.17801481441327 2972595 CC1=C(C2=C(N1CC3CCCO3)C=CC(=C2)O)C(=O)C 1 2.331 1 3 -8.48690990956851 2972590 C1CCC(=CC1)CCN=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-] 1 3.162 5 5 0 -4.93984529994712 2972574 C1CCC2=C(C1)N=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3 1 2.635 2 3 -13.8685788822857 2972573 CC1(CC2=C(CS1)C=C3C4=C(C(=O)N(C=N4)CC5=CC=CC=C5)SC3=N2)C 1 4.089 3 1 -11.8542058244121 2972571 CN(C(=O)COC)C1(CCCC1)C2=NN=NN2CCOC(=O)NC3=CC=C(C=C3)Cl 1 1.951 6 4 0 -16.6210775046514 2972570 COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F)[N+](=O)[O-] 1 2.956 3 4 0 -2.26576018465914 2972566 CC1=CC(=C(S1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2)C(=O)OC 1 1.252 3 4 0 -17.4840810266564 2972562 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC3(CC2CC(C3)(C)C)C 1 2.109 2 3 -19.7881181976991 2972557 CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N=C1CN4CCCC4 1 2.793 5 4 0 -3.21065267286393 2972538 CN(C)S(=O)(=O)N(CC(=O)NC1=CC(=C(C=C1)OC)Cl)C2=CC=CC=C2 1 1.822 3 4 0 -12.354347961291 2972534 CN(C)CCN1C2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3.Cl Cl- 1 3.544 3 1 -3.73849462370387 2972530 CN(C)C1=CC=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C)C3=CC=CC=C3 1 2.614 5 2 0 -6.4044760640695 2972528 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)Cl 1 2.951 3 4 0 -16.01183271872 2972523 CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N(C1=O)CC 1 2.289 3 3 -5.91285928205816 2972515 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCS(=O)(=O)CC3=CC=CC=C3 1 2.4 3 5 0 -9.99643586828212 2972497 CSCCC(C(=O)NCC1=CC=CO1)NC(=O)C2=CC=CC=C2 1 1.674 2 3 0 -23.5432565065769 2972490 CC(C)(C)C1=CC=C(C=C1)OCC(CNC2=CC=C(C=C2)OC)O 1 4.144 1 3 -1.3069239229013 2972488 CC(C)OCCCNC(=O)C(C)OC1=CC=CC=C1 1 2.015 1 3 -13.947441833362 2972481 CC(COC)NC(=O)NC(=O)C1=CC=C(C=C1)Cl 1 1.729 2 3 0 -8.38138527733362 2972469 CCC(CO)NCC1=CC2=C(C=C1)N(C(=O)N2C)C.Cl Cl- 1 1.004 3 2 0 -6.48259330051733 2972465 CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)C 1 2.329 4 2 -2.81098060971024 2972460 CCC(=O)NCCC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC 1 2.555 4 3 0 -11.5609100714605 2972450 CC1=CC2=C(N=CN=C2S1)NCC3=CC=CC=C3.Cl Cl- 1 3.189 3 0 3.78931507902778 2972444 CS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 1.4 3 4 0 -15.8754492953353 2972442 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NS(=O)(=O)N4CCCC4 1 2.28 2 4 -7.37561202185153 2972431 CCN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=CS2 1 0.589 1 4 0 -15.7316364376684 2972429 C1C2C=CC1C3C2C(=O)N(C3=O)C4=NNC(=N4)C5=CC=CC=C5 1 1.893 4 2 0 4.07616831507082 2972427 CC1=CC=C(C=C1)S(=O)(=O)NCC(C)OC(=O)NC 1 1.44 2 4 0 -9.82521292286998 2972420 CC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3C(=O)O)N4CCOCC4 1 4.046 3 5 0 -6.98165757712196 2972413 CCCC1=CC2=C(C=C1NC(=O)C3=CC=CO3)OCO2 1 3.176 1 4 -2.35989979292226 2972410 CC1=CC(=CC(=C1)N=C2C(=NN(N2O)C3=CC(=CC=C3)Cl)[N+](=O)[O-])C 1 4.262 5 3 0 7.20005824168942 2972400 C1CC(N(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=NC=CC=N3 1 2.25 4 3 0 -13.4644078427638 2972369 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCOCC3)Cl 1 1.303 2 5 0 -19.4508996082271 2972364 CC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C3=CC=CO3 1 3.659 0 5 -5.69784744307499 2972359 C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4O 1 4.174 2 2 -5.33585290472023 2972356 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC4=C(CCCC4)C=C3)N(C1=O)C 1 3.105 3 3 -12.7183911080429 2972355 COC1=CC(=C(C=C1)OC)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4.Cl Cl- 1 3.429 4 3 0 -0.175567981106362 2972326 C1CN(CCN1C2=CC=CC=C2)C3=[N+](N(N=C3[N+](=O)[O-])C4=CC=CC=C4)[O-] 1 2.706 6 3 0 2.35337091507624 2972321 CC1=CC(=CC=C1)CC2CC(=O)N(C2=O)C3CCCCC3 1 3.708 1 2 -4.92230817895597 2972302 CCOC(=O)C1=CC=C(O1)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C 1 2.028 3 5 0 -16.9803378179753 2972294 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.319 3 5 0 -12.8958374364659 2972290 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CO3 1 1.527 2 4 0 -21.4930027531404 2972285 CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC=CC=C2 1 0.762 2 3 0 -10.083331934743 2972284 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCCCOC 1 1.625 2 6 0 -15.308729102555 2972281 CC1=CC(=NC(=C1C#N)N2CCN(CC2)CC3=CC=CC=C3)C 1 3.569 4 0 0.316355826665851 2972280 CCC1=CC(=CC=C1)N=C2C(=NN(N2O)C3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 4.232 5 3 0 6.26153321473785 2972278 C1=CC=C(C=C1)CCN2C=CN=C2SCC(=O)NC3=CC=CC=C3C#N 1 3.426 4 1 -14.2406524761589 2972270 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2CC3CCC2C3 1 1.55 2 3 0 -6.77120602595264 2972268 CC1(CC2=CC(=C(C=C2C(=N1)C3=CC(=C(C=C3)OC)OC)OC)OC)C.Cl Cl- 1 4.086 1 4 -3.68070836254471 2972258 CCC(=O)N1C2=CC=CC=C2C3(C1=O)NC4=CC=CC=C4N3 1 2.704 3 2 -5.4983268539179 2972248 C1C(OC2=CC=CC=C2O1)C3=NN=C4N3N=C(S4)C5=NC=CN=C5 1 1.278 6 2 0 -3.1683993869786 2972245 CC1=CC=CC(=C1)C2=NOC(=N2)CCC(=O)NCC3CCCO3 1 1.749 3 3 0 -11.7286202506168 2972240 CC1C(=O)N(C2(S1)C3=CC=CC=C3NC2=O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 1.814 4 3 0 -13.430279543068 2972223 CCCNC(=O)CC1C(=O)NC2=CC=CC=C2S1 1 1.494 2 2 0 -18.3520842189919 2972212 C1CC(OC1)CNCC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)F.Cl Cl- 1 4.247 1 2 0.445514355383514 2972207 C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 0.959 2 5 0 -19.8079047787676 2972205 COC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NCCSC)N 1 3.979 3 2 -4.61538559731408 2972201 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCCC(C2)CO 1 2.775 2 5 0 -16.0829008745663 2972189 CC1C(NC(=O)N1)CCCCCC(=O)NC2=CC=C(C=C2)C 1 2.655 3 2 -13.876901811036 2972188 CN(C)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)N.Cl Cl- 1 2.776 5 0 1.28826200550787 2972182 CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CN3CCOCC3 1 2.268 5 2 0 -15.4062748246572 2972179 CN(C)CCN1C2=CC=CC=C2C=C1C(=O)O.Cl Cl- 1 -0.646 2 2 0 -2.00819916667977 2972167 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.48 2 5 0 -9.28426336222104 2972163 CN(C)S(=O)(=O)N(CC(=O)N1CCC(CC1)CC2=CC=CC=C2)C3=CC=CC=C3 1 2.461 3 3 -8.6635919252186 2972161 CCN(CC)C1=CC=C(C=C1)CNCCC2=CC=CC=C2F.Cl Cl- 1 4.337 2 0 -4.25777575826785 2972143 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])N(C1=O)C 1 1.486 4 5 0 -14.1577167914905 2972138 CC(C(=O)NC1=CC(=C(C=C1)NC(=O)COC2=CC=CC=C2)OC)OC3=CC=CC=C3 1 3.537 2 5 0 -18.7394152693907 2972136 CC(=O)NCCC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=CC=C3OC 1 1.888 4 3 0 -11.0115045003264 2972129 CC(=O)NC1=CC=C(C=C1)NC(=O)C2(CC2(Cl)Cl)C 1 1.482 2 2 0 -6.73597881708147 2972127 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)OC 1 2.799 2 5 0 -16.9391446228597 2972108 COC1=CC=CC=C1NC(=O)CSC2=NNC(=N2)CC3=CC=CC=C3 1 3.232 4 2 -13.2582571384236 2972083 COC1=CC=C(C=C1)NC2CC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.212 3 5 0 -8.82316465559308 2972082 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)N=C1CCNC(=O)C4=CC=CO4 1 3.628 4 3 0 -9.45024233633644 2972072 CCC(C1=CC=CC=C1)C(=O)NC2=NN=C(S2)CCOCC 1 2.636 3 2 -15.5874741494629 2972070 COC1=C(C=C(C=C1)CCNC2CC(=O)N(C2=O)C3CCCCC3)OC 1 2.633 2 4 -12.2674163130423 2972068 COC1=C(C=C(C=C1)Cl)NC2=NC3=CC=CC=C3C(=N2)N.Cl Cl- 1 3.262 4 1 4.47251094506452 2972063 CC(C1=NN=C(N1CC=C)SCCOC2=CC=C(C=C2)OC)NC(=O)C3=CC=C(C=C3)OC 1 4.168 4 4 0 -19.6185574153313 2972062 CSC1=CC=C(C=C1)S(=O)(=O)NC2CC3CCC2C3 1 2.884 1 2 -1.79580284457662 2972053 CC1=CC2=C(N=CN=C2S1)NC3=CC(=CC=C3)OC.Cl Cl- 1 3.33 3 1 8.70158125237185 2972046 CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC 1 3.764 2 3 -5.83160995293381 2972038 CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)OCC(=O)NCC3CCCO3 1 2.213 2 5 0 -15.4868483583643 2972029 CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3 1 1.177 3 5 0 -18.0808836917675 2972024 COC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)NCCO)C3=CC=CS3 1 2.789 4 3 0 -7.16507772554889 2972016 C1CCC(=CC1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3 1 3.089 2 3 -23.0409276193705 2972008 C1CCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)COC4=CC=CC=C4 1 3.295 2 3 -11.1642670314948 2972004 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC(C)C2=CC=CC=C2 1 2.617 2 3 -11.4599162362311 2971990 CC(C)NC(=O)C1=CC=CC=C1NC(=O)C(C)OC2=CC=CC=C2 1 2.868 2 3 -19.4858196184282 2971987 CCC(CC1=CC=CC=C1)NC(=O)C2CCCCC2 1 4.306 1 1 -3.31250735748958 2971985 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C3CC(=O)NC3 1 1.954 2 3 0 -7.52435793900839 2971957 C1C(OC2=CC=CC=C2O1)C3=NN4C(=NN=C4S3)CN5C6=CC=CC=C6N=N5 1 2.814 7 2 0 -7.92141615513541 2971956 CCCCS(=O)(=O)NC1=CC(=C(C=C1)N2CCOCC2)S(=O)(=O)N3CCOCC3 1 0.724 3 6 0 -12.4927021729748 2971954 CC1=CC(=C(C=C1NC(=O)CN2C(=O)C3C4CC(C3C2=O)C(C4)C5=CC=CC=C5)Cl)Br 1 4.374 2 3 -9.02541606365744 2971925 CCOC(=O)NC1=CC(=C(C=C1)N2CCOCC2)S(=O)(=O)N3CCOCC3 1 0.597 3 6 0 -15.008501883056 2971924 CC(=O)NCCC1=NC2=C(N1C)C=CC(=C2)NC(=O)NC3=CC=CC=C3 1 1.813 5 2 0 -7.76824302568217 2971923 C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl 1 1.912 2 5 0 -8.60680333876831 2971918 CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCCO)C.Cl Cl- 1 3.13 4 1 4.42854936228007 2971916 CC(C1=CC=CC=C1)NC(=O)C2=NOC(=C2)C3=CC=CC=C3 1 3.691 2 2 -7.51028493385117 2971915 COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3 1 2.194 2 5 0 -18.6277577991617 2971914 C1CC1N2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)O 1 2.709 1 2 -0.716554594588077 2971905 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)CCC(=O)NC3=CC=CC=C3F 1 2.569 5 3 0 -21.9839066603769 2971894 CN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=C(C=C2)C3CCCCC3 1 2.645 1 4 -8.72359431735706 2971886 CC1(C2CC(C1C(=O)NCC3=CC=CC=C3)C=C2)C(=O)O 1 1.916 1 3 0 -6.75645548292067 2971874 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCOCC4 1 2.685 6 4 0 -17.3042536030776 2971871 CC(C)OCCCNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2 1 2.48 2 3 -15.4751906881798 2971870 CC12C3CC(C1C(=O)N(C2=O)C4=NC=CS4)C=C3 1 1.101 2 2 0 -0.553809903477797 2971862 C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4F)C#N 1 5.401 2 1 -5.6719122029911 2971855 CS(=O)(=O)NCC1=CC=C(C=C1)C(=O)NCCOC2=CC=CC=C2 1 1.588 2 4 0 -11.1709198222095 2971844 C1C(CNC1=O)C2=CC=C(C=C2)S(=O)(=O)NCCOC3=CC=CC=C3 1 1.523 2 4 0 -9.43063869579992 2971841 CCCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 2.666 3 4 0 -7.33441465452589 2971829 CCN(CC(=O)NCC1CCCO1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.378 2 4 0 -21.586823162583 2971828 CN(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)COC)C3=CC=CC=C3 1 2.56 5 2 0 -6.76794273050989 2971823 CC12C3CC(C1C(=O)N(C2=O)NC(=O)C4=CC=NC=C4)C=C3 1 0.21 3 3 0 -7.29157809523332 2971816 CCOC(=O)C(=O)NC1=CC=CC=C1C(=O)NC(C)C 1 1.234 2 4 0 -16.1518291017164 2971796 CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.656 4 1 -2.2443043270401 2971779 C1=COC(=C1)C2=NC(=NN2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O 1 1.67 4 5 0 -4.20720247534081 2971775 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.118 3 4 0 -16.0068304631583 2971764 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCN3C=CN=C3 1 2.02 4 2 -4.12252213900113 2971752 COC1=C(C=C(C=C1)S(=O)(=O)NC2CC3CCC2C3)Cl 1 2.99 1 3 -6.04094125107603 2971751 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCCC2 1 1.455 2 3 0 -13.0329853335452 2971750 CC(C1=NN=C(N1C)SCC2=NC(=O)C3=CC=CC=C3N2)NC(=O)C4=CC=CC=C4 1 2.467 6 2 0 -20.6055747371698 2971731 CN(C)NS(=O)(=O)C1=CC(=C(C=C1)OC)N(C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.796 3 5 0 -5.91151309141593 2971730 CC1=CCC2C(C1)C(=O)N(C2=O)C(C)C3=CC=CC=C3 1 2.842 1 2 -6.3733270094665 2971724 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CC3)Cl 1 1.899 2 4 0 -17.6182514208142 2971723 CC1=CC(=C(C=C1C2C(=C(OC3=NNC(=C23)C)N)C#N)CN4CCOCC4)C 1 2.724 5 2 0 -6.51653868079342 2971711 CCC(C(=O)NC1=CC=CC=C1C(=O)N2CCCC2)N3C(=O)C4=CC=CC=C4C3=O 1 2.381 3 4 0 -19.9261883615868 2971710 CC(C)CNC(=O)CC1C(=O)NC2=CC=CC=C2N1 1 1.08 3 2 0 -22.2034815132734 2971701 CCC(C(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)N3C(=O)C4=CC=CC=C4C3=O 1 1.608 3 5 0 -21.8489533255304 2971687 CCC(=O)NCCC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=CC=C3Cl 1 3.236 4 2 -11.3930179519872 2971684 COC1=C(C=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4)OC 1 3.853 3 4 0 -12.4282160964784 2971683 C1CCC(CC1)NC(=O)CSC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCOCC4 1 3.111 6 2 0 -13.5370114619959 2971678 C1=CC(=C(N=C1)NCCNC(=O)C2=NON=C2N)[N+](=O)[O-] 1 -0.197 7 4 0 -16.7274149966369 2971673 C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-] 1 4.926 3 4 0 -12.69404282239 2971670 C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)SC3=C(C=CC=N3)C(=O)O 1 2.414 2 4 -6.49102165390659 2971667 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)NC3=CC=C(C=C3)OC 1 2.804 2 3 -4.55525316463718 2971665 CCOC(=O)C1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=C(C=CC(=C2)C)OC 1 1.358 2 6 0 -13.6618321011683 2971659 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CN(N=C3)C45CC6CC(C4)CC(C6)C5 1 4.586 4 2 -1.29421625837881 2971650 CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N(C)C2CCS(=O)(=O)C2 1 -9.7e-002 2 5 0 -17.9979372532314 2971642 CN1C(=NN=N1)SCCNCC2=CN=CC=C2.Cl Cl- 1 0.259 6 0 0 -13.9432465977818 2971633 C1CC(=O)N(C1)CCCN=C2C(=NN(N2O)C3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 1.429 6 4 0 -11.223431009632 2971630 CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CN3CCCCC3 1 3.093 3 3 -18.7838020110237 2971625 CCOC(=O)C1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C 1 1.819 2 6 0 -21.4141708099489 2971621 CC1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)OC)NC3=CC=C(C=C3)[N+](=O)[O-] 1 5.119 2 4 -6.28579812050025 2971618 CC1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3OC2=O 1 2.916 2 3 -6.20949935512489 2971605 CCC(COC(=O)NC1=CC=CC(=C1C)C)NC(=O)OCC(C)C 1 4.494 2 4 -8.02569702533842 2971598 C1=CC=C2C(=C1)NC(C(=O)N2)CC(=O)NC3=CC(=CC(=C3)Cl)Cl 1 2.793 3 2 -14.1584122736992 2971594 CC(C1CCCO1)NC(=O)C2=CC=C(S2)Br 1 2.295 1 2 -12.0065730064823 2971587 CCC(C1=CC=CC=C1)C(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC 1 2.989 2 4 -18.0966231733533 2971575 C1CN(CCN1C2=CC=CC=N2)C(=O)COC3=CC(=C(C=C3)F)Cl 1 2.967 3 2 -2.15468343993744 2971574 CC1CC2=CC=CC=C2N1C(=O)CCC3=CC=C(C=C3)OC 1 3.747 1 2 -8.74348534738487 2971573 CC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CS2)C 1 3.924 1 1 -8.21780242989096 2971528 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4CC=CCC4C(=O)O 1 3.041 2 5 0 -18.997225296094 2971567 CC1=CC=CC(=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3CCCO3 1 2.929 1 4 -9.9247951583258 2971563 CC1=C(C=CO1)C(=O)NC2=C(C=CS2)C(=O)N 1 0.652 2 3 0 -6.30997690686614 2971562 C1CCC2=C(C1)C=C(S2)C(=O)NCCCN3C=CN=C3 1 2.178 3 1 -9.15562724735996 2971550 C1CC(OC1)C(=O)N2CCN(CC2)C(=O)CC3=CC=CS3 1 0.781 2 3 0 -22.1118001590566 2971548 CC1=C(C=CO1)C(=O)NC(C)C2=CC(=C(C=C2)OC)OC 1 2.215 1 4 -10.0527101935242 2971543 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(C)C2CCCO2 1 2.771 1 5 -20.2355116134626 2971539 CC(C(C)(C)C)NC(=O)C1=C(C2=C(S1)C=C(C=C2)[N+](=O)[O-])Cl 1 4.593 2 3 -6.41760491323671 2971525 CC(C(C)(C)C)NC(=O)C1=CC=NC=C1 1 1.73 2 1 0 -11.2083408259947 2971521 C1CCCC2=C(CC1)C=C(S2)C(=O)N3CCC4(CC3)OCCO4 1 3.557 1 3 -11.738973212088 2971520 CC1=NN(C=C1Br)CCCNC(=O)C2CCCO2 1 1.098 3 2 0 -18.2603321559767 2971500 CC1(CC1(Cl)Cl)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.148 1 3 -7.94793179915853 2971496 CC1=C(C=C(C=C1)C(C)NC(=O)C2=CC3=C(C=C2)OCO3)C 1 3.739 1 3 -10.0003628926067 2971495 CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=CC=CC=C2 1 0.645 2 3 0 -18.4647529451716 2971494 CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CS3 1 2.72 1 3 -9.68245308770975 2971493 CC(C(=O)NC1=CC=NC=C1)OC2=C(C=C(C=C2)Br)Cl 1 3.196 2 2 -6.68362400327931 2971491 CC1CCCN(C1)C(=O)C2=CC(=C(C=C2Cl)F)F 1 3.555 1 1 -5.09965458004838 2971490 CC1=C(C=C(C=C1)C(C)NC(=O)CC2=CC=CS2)C 1 3.959 1 1 -10.4945246253511 2971487 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CO3 1 3.772 3 3 -13.1284248522674 2971468 CC1CC2=CC=CC=C2N1C(=O)C3=CC=C(O3)C 1 2.813 1 2 -5.87711498914062 2971466 CC1=CC2=C(C=C1)N(CCC2)C(=O)C3=NOC(=C3)C 1 2.865 2 2 -13.0209368360009 2971459 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=CC4=C(CCC4)C=C3 1 3.505 2 3 -7.93471501185375 2971457 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CSC(=C2C)C 1 3.288 2 3 -7.34623583159496 2971453 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CC4=C(C=C3)OCO4 1 3.405 1 3 -8.03706435659191 2971444 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CC3=CC=CC=C3[N+](=O)[O-] 1 3.06 2 5 0 -14.5410552449199 2971432 C1CC(OC1)C(=O)NC2=NN=C(S2)C3=CC=NC=C3 1 0.531 4 2 0 -15.3246903640728 2971431 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(C)C3=CC4=C(C=C3)OCO4 1 3.313 2 4 -10.5888071837679 2971430 CCC1=C(C=C(S1)C(=O)NC(C)C2CCCO2)Br 1 3.288 1 2 -14.1954068384804 2971426 CC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC3=NON=C32 1 1.627 3 4 0 -9.22149849538373 2971416 CC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3C=C2 1 2.257 3 1 -8.47952747940858 2971413 C1CN(CCN1CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 3.106 2 1 -1.47218183168677 2971411 C1=CSC(=C1)C(=O)NC2=C(C=CS2)C(=O)N 1 1.356 2 2 0 -7.80496571838485 2971410 C1CN(CCN1C(=O)C2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(S3)Cl 1 3.016 2 3 -8.22374016753292 2971401 C1COC2=C(O1)C=CC(=C2)C(=O)NCC3=CC=CC=C3Br 1 3.155 1 3 -11.0779089763356 2971400 CC1=CC2=C(C=C1)N(CCC2)C(=O)CSC3=CC=CC=C3 1 4.231 1 1 -7.94034785397098 2971396 C1CC(OC1)C(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 0.823 2 5 0 -23.4668466827059 2971387 CC1=CC(=C(C=C1)C)C(C)NC(=O)C2=CC=C(O2)Br 1 3.934 1 2 -9.03649990557932 2971382 CC1=CC(=CS1)C(=O)NC2=NC=C(C=C2)[N+](=O)[O-] 1 1.705 3 3 0 -9.76584689163108 2971371 C1=COC(=C1)C(=O)NC2=C(C=CS2)C(=O)N 1 0.798 2 3 0 -6.64745266330908 2971368 CC1=C(C(=NO1)C)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4 1 3.332 3 2 -2.44074106991329 2971361 C1COC2=C(O1)C=CC(=C2)C(=O)NCC3=CC=CS3 1 2.147 1 3 -13.5210890899403 2971359 C1CC(OC1)C(=O)NCCCN2CCCC2=O 1 -0.578 2 3 0 -29.7979310362474 2971352 CCC(C(=O)NC1=NN=C(S1)C2CC2)OC3=C(C=C(C=C3)Br)Cl 1 4.363 3 2 -8.13014306855809 2971348 CN(C(=O)C1=CN=CC=C1)C23CC4CC(C2)CC(C4)C3 1 2.236 2 1 -3.50736153400155 2971346 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CCC3=CC=CC=C3 1 3.218 3 3 -5.37149766050752 2971339 CC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=NC=C2)C 1 2.82 2 1 -8.37800416646991 2971332 CC(C1=CC(=C(C=C1)OC)OC)NC(=O)C2CCCO2 1 1.634 1 4 0 -17.6417679964428 2971322 CC1=CC(=CS1)C(=O)NC(C)C2CCCO2 1 1.581 1 2 0 -15.8118978282695 2971296 CC(C(=O)NCC1CCCO1)OC2=CC=C(C=C2)[N+](=O)[O-] 1 1.61 2 5 0 -14.9286197079867 2971294 CC(C(C)(C)C)NC(=O)C1=CC2=C(S1)CCCC2 1 4.217 1 1 -13.1427913330645 2971293 C1=CC(=CC=C1CC(=O)O)NC(=O)C2=NC=CN=C2 1 0.406 3 3 0 -11.2597851683048 2971292 CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3CCCO3 1 1.939 2 2 0 -11.4739462672443 2971289 CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3 1 3.443 2 2 -13.370516629027 2971285 CC1=C(OC2=CC=CC=C12)C(=O)NC(C)C3=CC=NC=C3 1 2.929 2 2 1.09916719567534 2971274 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3C4C=CC(C3C(=O)O)O4 1 1.137 2 6 0 -0.345873287197431 2971273 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3 1 3.116 2 3 -7.83198120679948 2971270 C1CCN(CC1)CCNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.896 4 3 0 -8.31977921802214 2971269 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC2CCN(CC2)C 1 2.664 2 2 -2.96172715934444 2971267 CC1=CN=C(S1)NC(=O)C2CCCO2 1 0.425 2 2 0 -12.6609058122436 2971265 C1CC(OC1)C(=O)NCC2=CC(=CC=C2)Cl 1 1.954 1 2 0 -12.7158728073893 2971259 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NOC(=C3)C 1 2.943 3 2 -25.840619324472 2971248 CC1=C(C=CO1)C(=O)NC(C)C2CCCO2 1 1.023 1 3 0 -11.8834892997542 2971247 CCC(C1=CC=CC=C1)C(=O)NC2=NOC=C2 1 2.561 2 2 -8.03888288595929 2971243 CCC1=CC=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl 1 2.839 2 3 -15.2387276960446 2971240 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 0.357 3 4 0 -25.3562090149382 2971232 CCOC1=CC=CC=C1C(=O)NC(C)C2=CC3=C(C=C2)OCO3 1 3.099 1 4 -10.4324831771576 2971221 CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CCC3=CC=CC=C3 1 3.762 2 1 -3.113455311701 2971219 CC(C1=CC=NC=C1)NC(=O)CCCC2=CC=CC=C2 1 2.795 2 1 -12.7693667528758 2971218 COC1=C(C=C(C=C1)NC(=O)C2CCCO2)Cl 1 1.931 1 3 0 -12.4252411098279 2971216 CC1=CC(=CS1)C(=O)NCCCN2C=CN=C2 1 0.649 3 1 0 -7.84041950375289 2971211 CC1=C(C=C(C=C1)C(C)NC(=O)C2=CC3=C(C=C2)OCCO3)C 1 3.757 1 3 -11.4456640461752 2971209 CC1CC2=CC=CC=C2N1C(=O)CC3=CC=CS3 1 3.261 1 1 -10.2656031098882 2971208 C1CN(CCN1CC2=CC=CC=C2Cl)C(=O)C3=CC=C(O3)Br 1 3.412 2 2 -2.88316984869929 2971206 CC1CCC2=C(N1C(=O)C3(CC3(Cl)Cl)C)C=CC(=C2)F 1 3.682 1 1 -4.61380083891602 2971204 CC1=C(C=C(C=C1)C(C)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C)C 1 4.518 2 2 -9.31245312028286 2971199 C1CN(CCN1C(=O)CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 2.105 2 3 -19.0907893573078 2971196 CCCC1=CC(=C(S1)NC(=O)C2CCCO2)C(=O)N 1 1.34 2 3 0 -14.950717613935 2971194 CC1=CC(=NO1)C(=O)N2CCC3=CC=CC=C3C2 1 1.93 2 2 0 -14.4174608188033 2971187 C1C2CC3CC1CC(C2)(C3)CC(=O)NN4C=NN=C4 1 1.159 4 1 0 -7.06475362431837 2971186 CS(=O)(=O)N1CCN(CC1)C(=O)CC2=CC=C(C=C2)Br 1 1.034 2 3 0 -18.9166429652295 2971179 CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN=CC=C3 1 1.619 3 3 0 -21.1997681017925 2971176 CC1=C(C=CC(=C1)OCC(=O)NC2=NOC(=C2)C(C)(C)C)[N+](=O)[O-] 1 3.515 3 5 0 -15.3487725574618 2971168 CC(C1=CC=NC=C1)NC(=O)C2=CC=C(S2)Br 1 2.369 2 1 -6.62801806368894 2971166 CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC3=CC=CC=C3)OCC 1 3.77 2 3 -6.28786074673211 2971164 CC1=C(C(=NO1)C)C(=O)NC(C)C2=CC3=C(C=C2)OCO3 1 1.649 2 4 0 -11.8113110688441 2971153 CC1=CC(=C(S1)NC(=O)CCC2=CC=CC=C2)C(=O)OC 1 2.893 1 3 -9.57342876559172 2971145 C1CC(OC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl 1 2.435 2 4 -11.6451332845424 2971139 CCOC1=CC=C(C=C1)CC(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 3.099 2 2 -4.63201583876086 2971138 CC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NCCCN4C=CN=C4)C 1 3.833 6 1 0 -10.124921551928 2971133 CC1=CC(=NO1)C(=O)N2CCC(CC2)CC3=CC=CC=C3 1 2.929 2 2 -6.9845041433136 2971120 CC1=C(C(=NO1)C)C(=O)NC2CCCC3=CC=CC=C23 1 2.519 2 2 -10.3357503760669 2971115 CC1=C(C=C(C=C1)OC(C)C(=O)NC2=CC=NC=C2)C 1 2.756 2 2 -8.90407260275423 2971112 C1C2CC3CC1CC(C2)(C3)CC(=O)NCC4=CC=NC=C4 1 2.397 2 1 -9.27904318340739 2971111 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 1.618 4 5 0 -20.4609680980936 2971109 CC(CN1CCCCC1)NC(=O)C2=CC=CS2 1 2.424 2 1 -9.36544148783739 2971106 CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCO3 1 2.559 2 3 -8.82240642932812 2971098 CC(C)(C)C1=CSC(=N1)NC(=O)CCC2=CC=CC=C2 1 3.931 2 1 -8.14841762997436 2971097 CC(C1=CC(=C(C=C1)OC)OC)NC(=O)CC2=CC=CS2 1 2.954 1 3 -14.7591334536964 2971096 CC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.185 3 3 -9.65620845061919 2971094 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CSC(=C3)C 1 3.722 2 1 -21.4012134565576 2971089 C1CC2=C(C1)C=C(C=C2)OCC(=O)NC3=CC=CC=N3 1 2.895 2 2 -6.35817890050643 2971078 C1=CN(C=N1)CCCNC(=O)C2=CC=C(S2)Br 1 1.363 3 1 0 -4.7543576457273 2971075 CC(C1CCCO1)NC(=O)C2=CC(=CC=C2)C(F)(F)F 1 2.716 1 2 -10.5068438349247 2971073 CC1(CC1(Cl)Cl)C(=O)N2CCN(CC2)CC3=CC=CC=C3Cl 1 3.197 2 1 0.110104589880712 2971061 CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C 1 1.205 2 3 0 -20.5007911328608 2971010 COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 1.234 5 4 0 -14.2207644608312 2971011 CC(C1CCCO1)NC(=O)C2=CSC3=CC=CC=C32 1 2.636 1 2 -11.729496218616 2971044 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN=CC=C3)OC 1 0.644 3 5 0 -25.3835430211129 2971043 C1CCCC2=C(CC1)C=C(S2)C(=O)NC3=NOC=C3 1 3.856 2 2 -8.06309394153684 2971040 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)OCCO4 1 2.047 3 3 -5.09333445287725 2971029 CCC1=C(C=C(S1)C(=O)NCCCN2C=CN=C2)Br 1 2.356 3 1 -6.94319147772539 2971027 C1=CC=C(C(=C1)CC(=O)NCC2=CN=CC=C2)Cl 1 2.17 2 1 -11.4883394719495 2971017 C1CC(OC1)C(=O)NCC2=CC=CC=C2Br 1 2.038 1 2 -15.243689139078 2971015 CC(=O)C1=CC=CC=C1NC(=O)C2C3CCC(C2C(=O)O)O3 1 0.564 1 5 0 -8.36843195847704 2971005 C1CC(OC1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3 1 3.072 1 2 -12.0141997934139 2971003 CC1=CC(=C(C=C1)Cl)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 3.386 1 4 -8.53257209810259 2970997 CCC1=CC=C(S1)C(=O)NC2=C(C=C(C=C2)OCC)[N+](=O)[O-] 1 3.607 2 4 -7.13386113964806 2970996 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C4CCCO4 1 2.77 1 4 -17.4851903047425 2970994 CC(C1CCCO1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 3.034 1 3 -13.1250998332721 2970991 C1COC2=C(O1)C=CC(=C2)C(=O)NCC3=CC=CO3 1 1.589 1 4 0 -12.8263239223057 2970989 C1CN(CCN1CCC2=CC=CC=C2)C(=O)C3=CC=NC=C3 1 1.955 3 1 0 -1.19822063877889 2970988 CCOC(=O)CC1=CSC(=N1)NC(=O)COC2=CC3=C(CCC3)C=C2 1 3.171 2 4 -13.039767196355 2970934 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3)OC 1 1.558 4 6 0 -25.9996642707247 2970942 CC1=C(C=CO1)C(=O)NC(C)C2=CC3=C(C=C2)OCO3 1 2.016 1 4 -7.25275202299766 2970970 CC1CCC2=C(C1)SC(=C2C(=O)N3CCOCC3)NC(=O)OC 1 2.116 2 4 -18.2701880724312 2970961 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCO3 1 1.525 2 3 0 -12.2647176529239 2970959 C1=CC=C2C(=C1)C(=CS2)C(=O)NCCCN3C=CN=C3 1 1.704 3 1 0 -5.02467432273654 2970957 CC(C)(C)C1=CC(=NO1)NC(=O)C2CCCO2 1 1.968 2 3 0 -17.6667408221951 2970948 C1CC(OC1)C(=O)NC2=C(C=C(C=C2Br)F)F 1 2.442 1 2 -10.8245486844764 2970929 CC(C1CCCO1)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O 1 1.698 2 6 0 -20.0088000527256 2970928 CC1=CC(=NO1)C(=O)NC2=NC(=C(S2)C(=O)OC)C 1 1.069 3 4 0 -16.3056765976225 2970927 C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C(=O)C4CCCO4 1 2.13 2 3 -21.1490539551441 2970925 CC1=C(C=C(C=C1)C(C)NC(=O)C2=CC3=CC=CC=C3OC2=O)C 1 4.001 1 3 -11.7687784465148 2970898 C1=CSC(=C1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.497 2 3 -9.48362959759275 2970895 C1CC2C(C(C1O2)C(=O)NCC3=CC=CC=C3Br)C(=O)O 1 1.579 1 4 0 -8.14750593890705 2970888 CC(C1=CC2=C(C=C1)OCO2)NC(=O)CC3=CC=CS3 1 2.755 1 3 -11.9591752831699 2970886 CC1(CC1(Cl)Cl)C(=O)NC2=CC3=C(C=C2)OCO3 1 2.13 1 3 -6.50263064559009 2970874 CCC(C1=CC=CC=C1)C(=O)NC2CCN(CC2)C 1 2.102 2 1 -6.72014646285805 2970870 C1CC(OC1)C(=O)NC2=NN=C(S2)C3CC3 1 0.775 3 2 0 -16.753425494251 2970862 C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)C(=O)NCCCN3C=CN=C3 1 0.766 4 5 0 -14.4948203238731 2970858 C1CCC(CC1)N2CCN(CC2)C(=O)CCCC3=CC=CC=C3 1 4.006 2 1 -4.55703252339995 2970842 CC(C1CCCO1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.592 1 2 -6.85204682349063 2970838 C1CC(OC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 2.507 2 4 -26.6317703493261 2970831 CC(C1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=NC=C2 1 1.815 2 3 0 -12.6426129948152 2970821 CCOC1=CC=CC(=C1)C(=O)NC2=CC=NC=C2 1 1.796 2 2 0 -6.52183056582685 2970818 COC1=CC=CC=C1CCNC(=O)C2CCCO2 1 1.595 1 3 0 -19.8716729054399 2970814 CC1=C(C=C(C=C1)C(C)NC(=O)C2CCCO2)C 1 2.64 1 2 -13.3771591680975 2970811 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(C)C3CCCO3 1 2.32 2 3 -15.2195444605243 2970804 CC1=C(C=CO1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.077 2 4 0 -19.2644638588286 2970803 C1CC(OC1)C(=O)NCCC2=CC=C(C=C2)Cl 1 2.275 1 2 -13.2738719956175 2970799 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCCCC3 1 2.929 2 3 -11.0573372606773 2970793 CC1=C(SC(=C1)C(=O)NCCCN2C=CN=C2)C3=CC=CC=C3 1 3.091 3 1 -3.81104744132723 2970789 C1CC(OC1)C(=O)NC2=CC3=C(CCC3)C=C2 1 2.34 1 2 -15.2586899705867 2970784 CC1(CC1(Cl)Cl)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.621 2 1 0.768875869994387 2970781 C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=NN=CS4 1 2.014 3 1 -9.62487806821623 2970774 CC(C1=CC2=C(C=C1)OCO2)NC(=O)CCC3=CC=CC=C3 1 3.258 1 3 -14.1069600666269 2970772 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCCO2)OC 1 1.105 1 6 0 -19.9182307370575 2970771 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 1.392 3 4 0 -13.514603988825 2970765 CN1CCC(CC1)NC(=O)CCC2=CC=CC=C2 1 1.639 2 1 0 -6.96668483948986 2970764 CC1=CC(=NO1)C(=O)NC2CCCC3=CC=CC=C23 1 2.665 2 2 -11.9885440003764 2970763 C1CC(OC1)C(=O)N2CCN(CC2)C(=O)C3=CC=CS3 1 0.747 2 3 0 -22.1787098705044 2970758 CC(C)(C)CC(=O)NN1CCN(CC1)C 1 0.626 3 1 0 -5.59001169032451 2970746 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCCCC4 1 3.492 3 3 -13.5035778346799 2970745 CS(=O)(=O)N1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 2.364 2 3 -19.4379648817865 2970744 C1CN(CCN1C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=CS3 1 0.464 3 3 0 -19.4491342586433 2970735 CC(C1CCCO1)NC(=O)C2=CC3=C(C=C2)OCO3 1 1.542 1 4 0 -15.9559129229604 2970730 CC1=CC(=NC(=N1)NC(=O)C2=CC=C(S2)Br)C 1 2.443 3 1 -5.39066668559224 2970728 CC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CO2)C 1 3.366 1 2 -6.11233886078424 2970727 C1CC(C2=CC=CC=C2C1)NC(=O)C3CCCO3 1 2.305 1 2 -14.0993182910873 2970721 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 1.567 4 6 0 -23.0621595789185 2970718 C1CCC2=C(CC1)SC(=C2)C(=O)NCCCN3C=CN=C3 1 2.635 3 1 -9.51009576152804 2970706 CC1=C(SC(=C1C#N)NC(=O)C2CCCO2)C 1 1.58 2 2 0 -19.742048518771 2970702 COC(=O)NC1=NC2=C(S1)CCCC2 1 1.981 2 2 0 -7.05843628110118 2970699 C1CC(OC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 2.058 2 4 -27.0709053793154 2970691 COC1=C(C=C(C=C1)NC(=O)C2CCCO2)OC 1 1.25 1 4 0 -16.9205450014446 2970668 CC1=C(C=CO1)C(=O)N2CCN(CC2)C(=O)C3CCCO3 1 4.3e-002 2 4 0 -17.3820040012187 2970666 CC1=CC(=NO1)C(=O)NC(C)C2=CC=NC=C2 1 0.876 3 2 0 -14.2738541219362 2970660 COC1=C(C=C(C=C1)C(=O)NCCCN2C=CN=C2)[N+](=O)[O-] 1 0.72 4 4 0 -10.9389333658618 2970657 CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)OC 1 2.716 2 2 -8.10995454653242 2970656 C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)C(=O)C3=CC=CO3 1 3.049 2 2 0.558370634902339 2970650 CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.949 4 1 0 -5.3589823309492 2970641 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3CCCO3)OC 1 2.103 3 5 0 -33.8388102361746 2970630 CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3CCC3 1 2.316 1 3 -5.62051308665785 2970626 C1=CC(=C2C(=C1)SC(=C2Cl)C(=O)NCCCN3C=CN=C3)F 1 2.865 3 1 -1.00078340740337 2970625 C1COC2=C(O1)C=CC(=C2)C(=O)NCC3=CC(=CC=C3)Cl 1 3.071 1 3 -8.68993054886854 2970624 CSC1=CC=CC=C1NC(=O)C2CCCO2 1 1.825 1 2 0 -16.5852882905671 2970623 C1CC(OC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3 1 1.642 2 5 0 -18.6171245728514 2970622 CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3 1 3.7e-002 2 5 0 -19.7438480800313 2970615 CC1CN(CC(O1)C)C(=O)C2=C(C3=CC=CC=C3O2)C 1 2.767 1 3 -2.09402455182616 2970570 CC1CN(CC(O1)C)C(=O)C2=CC=NC=C2 1 0.536 2 2 0 -10.9375270942808 2970571 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.889 2 5 0 -21.4754116808226 2970578 C1=CC=C(C(=C1)CC(=O)NCCCN2C=CN=C2)Cl 1 1.541 3 1 0 -7.75831839760323 2970581 CNC(=O)C1=CC2=C(S1)CCCCCC2 1 3.287 1 1 -10.2124997421197 2970582 C1=CC=C(C(=C1)CNC(=O)C2C3C=CC(C2C(=O)O)O3)Br 1 1.404 1 4 0 -3.04268118231509 2970609 CC1CCC2=C(C1)SC(=N2)NC(=O)C3CCCO3 1 1.922 2 2 0 -17.1514990868403 2970607 C1=CN(C=N1)CCCNC(=O)C2=CC=C(S2)Cl 1 1.254 3 1 0 -1.50388378985082 2970596 C1CN(CCC1NC(=O)COC2=C(C=C(C=C2)Br)Cl)CC3=CC=CC=C3 1 3.98 2 2 -1.33889876930159 2970589 CC1CC2=CC=CC=C2N1C(=O)C3=CN=CC=C3 1 2.122 2 1 -10.2633658542167 2970586 CC1CCC2=C(C1)SC=C2C(=O)NCC3=CC=CO3 1 3.1 1 2 -12.4807259785183 2970561 C1COC2=C(O1)C=CC(=C2)C(=O)NCC3=CC=CC=C3F 1 2.612 1 3 -12.1098149971457 2970554 C1=CC=C2C(=C1)C=C(N2)CNC(=O)C3=CC=CC=C3F 1 3.198 2 1 -2.07434495398738 2970548 C1=CC=C(C=C1)CCC(=O)NC2=C(C=CS2)C(=O)N 1 1.894 2 2 0 -11.1063756317109 2970545 CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCCC3 1 2.486 2 3 -7.19228326560651 2970543 CC(C1CCCO1)NC(=O)C2=CC=CO2 1 1.169 1 3 0 -12.2077267953595 2970531 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC3=CC=CC=C3)[N+](=O)[O-] 1 2.984 3 4 0 -5.30731849163715 2970521 CC1=CSC(=N1)NC(=O)C(C)OC2=CC=C(C=C2)Br 1 2.962 2 2 -5.76771152102606 2970516 CC1=C(C=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C 1 2.603 2 6 0 -23.9181180258469 2970515 CC1=C(C=CO1)C(=O)NC(C)C(C)(C)C 1 2.13 1 2 -8.6184380247037 2970512 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 1.645 3 5 0 -13.5098732990672 2970509 C1CC(OC1)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 0.93 3 2 0 -12.9634493326269 2970501 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.677 2 5 0 -18.5387666216239 2970498 COC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3CCCO3 1 1.665 3 3 0 -15.0804631477746 2970497 C1CN(CCN1C(=O)C2=CC3=CC=CC=C3OC2=O)S(=O)(=O)C4=CC=CC=C4 1 1.858 2 5 0 -25.5177195373282 2970493 CC(C1=CC2=C(C=C1)OCO2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.696 2 5 0 -11.2651288085014 2970490 CCC(C1=CC=CC=C1)C(=O)NC2=NC=CN=C2 1 1.806 3 1 0 -7.80383185110068 2970489 C1CN(CCC12OCCO2)C(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.203 2 5 0 -10.9923486925223 2970485 CC1=C(OC2=CC=CC=C12)C(=O)NC(C)CN3CCCCC3 1 3.552 2 2 0.668361129510867 2970481 CC1CCC2=C(C1)SC=C2C(=O)NC3=CC=CC=N3 1 3.3 2 1 -6.39916388781447 2970480 COC1=CC2=C(C=C1)C(=C(S2)C(=O)NCCCN3C=CN=C3)Cl 1 2.643 3 2 -2.55429633082443 2970478 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=C(ON=C2C)C 1 1.161 3 4 0 -16.1831599241116 2970475 CC1=CC(=NO1)C(=O)N2CCN(CC2)C(=O)C3CCCO3 1 -0.179 3 4 0 -23.0514966916913 2970472 CCC1=C(C=CC(=C1)Br)NC(=O)C2CCCO2 1 2.974 1 2 -12.2399949991777 2970466 C1CC(OC1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)N 1 0.998 2 3 0 -18.9173280187243 2970462 CS(=O)(=O)N1CCN(CC1)C(=O)CCC2=CC=CC=C2 1 0.742 2 3 0 -19.1182994507412 2970451 CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCO2)C(=O)OCC 1 1.691 1 6 0 -18.2183797452368 2970447 C1=CC(=C(C(=C1)F)C(=O)NCCCN2C=CN=C2)F 1 1.253 3 1 0 -6.64698729583642 2970442 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=NOC(=C2)C 1 1.307 3 4 0 -17.2653046232594 2970422 CCC(C1=CC=CC=C1)C(=O)N2CCC3(CC2)OCCO3 1 2.262 1 3 -11.2875774590644 2970416 CCC(C1=CC=CC=C1)C(=O)NC2=NC(=C(S2)C(=O)OC)C 1 2.994 2 3 -11.1237317362114 2970413 CC1=C(C=C(C=C1)C(C)NC(=O)C2=C(ON=C2C)C)C 1 2.853 2 2 -10.5349570053591 2970406 CC1=C(C(=NO1)C)C(=O)NC(C)C2CCCO2 1 0.656 2 3 0 -16.5174822626187 2970380 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC=CC=C3 1 3.104 2 2 -7.0707704655366 2970374 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(C)C2=CC=NC=C2 1 2.845 2 4 -14.7815227536512 2970373 COC1=CC=CC(=C1)C(=O)NC2=C(C=CS2)C(=O)OC 1 2.24 1 4 -10.0547081593344 2970372 C1CC(OC1)C(=O)N2CCC3(CC2)OCCO3 1 -2.3e-002 1 4 0 -17.9502869734193 2970371 C1CC(OC1)C(=O)NC2=C(C=CC(=C2)F)F 1 1.694 1 2 0 -10.4457460676735 2970368 C1=CC=C(C=C1)C(C(=O)NC2=NOC=C2)SC3=CC=CC=C3 1 3.72 2 2 -7.29044245090414 2970366 CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=CN=CC=C3 1 1.616 2 3 0 -11.011097797834 2970365 CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2CCCO2 1 2.667 1 3 -10.7330328008869 2970361 CC1=C(C(=CS1)C(=O)NC2=NOC=C2)C3=CC=CC=C3 1 2.933 2 2 -2.05534598592042 2970358 CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 0.938 3 4 0 -16.7776955669969 2970356 CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CO3 1 2.162 1 4 -7.57698951860304 2970353 CC1=CC(=CS1)C(=O)NC(C)C2=CC=NC=C2 1 1.656 2 1 0 -10.3579089684581 2970352 CC(C(=O)NCCCN1CCOCC1)OC2=CC=C(C=C2)[N+](=O)[O-] 1 1.14 3 5 0 -13.4925623011644 2970348 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br 1 3.694 2 2 -8.61781918393942 2970342 CC1=CC(=NO1)NC(=O)COC2=CC(=C(C=C2)F)Cl 1 2.458 2 3 -12.7377156999004 2970340 CC1=CC(=CS1)C(=O)NC2=CC=C(C=C2)Br 1 3.17 1 1 -5.75709009177965 2970330 CC1=CC2=C(C=C1)N(CCC2)C(=O)C3CCCO3 1 2.506 1 2 -15.8302080616347 2970324 CCCC1=CC(=CS1)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 3.423 2 4 -8.15773461743115 2970319 C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 0.496 2 4 0 -29.9936582129538 2970314 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CC=C3 1 2.286 2 5 0 -19.6989103442976 2970310 CC1=CC(=NC(=N1)NC(=O)C2=CC=C(S2)Cl)C 1 2.334 3 1 -2.14019282971576 2970309 CC1=CC(=NO1)C(=O)NC(C)C2CCCO2 1 0.802 2 3 0 -19.7278429817476 2970308 CC(C1CCCO1)NC(=O)C2=CC=C(S2)Cl 1 2.186 1 2 -8.75609915060579 2970306 CC1=CC(=CS1)C(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 2.316 2 3 -8.76052029757202 2970301 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C 1 3.61 2 5 0 -10.708023063739 2970300 CCCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3CCCO3 1 1.649 2 4 0 -18.1034557085252 2970296 CC1=CC(=CS1)C(=O)NC(C)C2=CC3=C(C=C2)OCO3 1 2.574 1 3 -11.2455645387165 2970288 CC1CN(CC(O1)C)C(=O)C2=CC(=C(C=C2Cl)F)F 1 2.762 1 2 -9.46998593650827 2970287 COC1=C(C=C(C=C1)C(=O)NN2CCOCC2)[N+](=O)[O-] 1 0.317 3 5 0 -12.9382647083192 2970284 CC1CC2=CC=CC=C2N1C(=O)C3=CC4=C(C=C3)OCO4 1 3.04 1 3 -8.98787420207807 2970279 C1=CSC(=C1)C(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)Cl 1 3.465 3 1 -7.08200531106574 2970278 CCN1C=C(C(=N1)C)C(C)NC(=O)COC2=C(C=C(C=C2)Cl)C 1 3.266 3 2 -8.9429130837835 2970268 CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCO2)C(=O)OC)C 1 1.906 1 6 0 -26.3032510527099 2970267 CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.642 3 3 -22.2443763919971 2970264 CC1=CC=C(O1)C(=O)NC2=NC(=CC(=N2)C)C 1 1.462 3 2 0 -5.15888337503785 2970261 CC1=C(C=CO1)C(=O)NC2CCCC3=CC=CC=C23 1 2.886 1 2 -4.83257273393437 2970255 CC(C1CCCO1)NC(=O)CC2=C(C=CC=C2Cl)F 1 2.679 1 2 -14.9639281351711 2970251 CC(C1CCCO1)NC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 1.787 1 5 0 -17.7869356043788 2970247 CCC(C(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=CC=C(C=C3)Br 1 2.587 4 2 -4.597448880053 2970246 CC(C1=CC=NC=C1)NC(=O)C2=CC(=C(C=C2Cl)F)F 1 2.923 2 1 -5.49947000267813 2970243 CC1=C(C=CC(=C1)F)NC(=O)C2CCCO2 1 1.975 1 2 0 -12.6689544497361 2970236 C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)C(=O)CCC3=CC=CC=C3 1 4.145 2 1 -2.29440152349372 2970221 CC1=CC=C(O1)C(=O)NC2CCCC3=CC=CC=C23 1 3.178 1 2 -4.22110689304028 2970217 CCOC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.559 2 4 -19.7644247137722 2970212 CCCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(ON=C4C)C 1 3.752 2 2 -10.4527712842884 2970209 CN1C=CC=C1CNCC2=CC=C(C=C2)F.Cl Cl- 1 2.534 2 0 0.631187615578795 2970203 CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=C(C=C3)OC)OC)C(=O)N1 1 2.204 3 4 0 -16.372603836333 2970198 C=CCN1C2=CC=CC=C2N=C1N3C(=O)CC(C3=O)CC4=CC=CC=C4 1 3.821 3 2 -6.91173457087687 2970193 CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3 1 3.259 4 3 0 -3.15633796929175 2970191 CC1=CC=C(C=C1)CNC(=O)CSC2=NC(=NS2)SC 1 3.434 3 1 -13.9742855805693 2970189 CCOC(=O)C1=C2C(=CC3=CC=NC=C3)C(=C(N2C(=O)C(S1)C4=CC=NC=C4)C#N)N 1 -8.9e-002 5 3 0 -8.57428909248081 2970180 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 3.856 3 6 0 -31.6401759001359 2970179 CC1CN=C(S1)N(C2=C(C=C(C=C2)F)F)C(=O)NC 1 3.005 3 1 -8.51421625334547 2970168 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2(C(=O)N(C(=O)N2)C3CCCC3)C(F)(F)F 1 1.526 4 5 0 -11.0485877384338 2970165 CCN(CC)CCSC1=NC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)N=N1 1 5.393 5 0 -11.0027976130006 2970147 C1CC2=C(C(C3=C(N2)C=CC4=C3C=CC=N4)C5=CC(=CC=C5)O)C(=O)C1 1 3.578 2 2 -19.2026651630234 2970141 CN(C1=CC=C(C=C1)C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.464 2 6 0 -22.3669684037197 2970140 C1C(CN(C1=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O 1 2.293 2 5 0 -8.68614476699345 2970137 CN(C1=CC=C(C=C1)C(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.044 3 3 -13.6071418973079 2970124 C1CC2CC(CC(C1)C2=O)C(=O)NCC3=CC=CC=C3 1 2.67 1 2 -8.09956280257168 2970122 C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)CNCCC3=CC=C(C=C3)S(=O)(=O)N)F.Cl Cl- 1 4.498 2 3 -2.94668204596626 2970120 CCOC1=CC=C(C=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N.Cl Cl- 1 2.31 2 3 -5.13425486991576 2970117 C1C(OC2=CC=CC=C2O1)CCC(=O)NC3=CN=CC=C3 1 1.699 2 3 0 -8.33725697996159 2970116 CN(C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC 1 3.534 3 5 0 -14.1115059770612 2970106 CCOC1=C(C=C(C=C1Br)CNCC2=CC=CS2)OC.Cl Cl- 1 3.755 1 2 -3.51470452461075 2970102 COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=CC=C3)Br)CCC#N 1 3.922 4 2 -3.89703369536714 2970101 CC(C)C(=O)NC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C 1 1.249 3 3 0 -19.9919216868305 2970088 CCC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C 1 1.479 1 3 0 -2.17287194349189 2970082 CCC(=O)NC1(C2=C(NC1=O)N(C(=O)N(C2=O)C)C)C(F)(F)F 1 -0.252 4 4 0 -13.896356138184 2970072 CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NCC2CCCO2 1 3.353 1 3 -12.1738753627467 2970056 C1=CC(=CC(=C1)Cl)CSC2=NC(=O)C=C(N2)C3=CC=CO3 1 3.845 2 2 -6.4534396244776 2970051 C1COC(C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)Br 1 3.228 1 2 -3.2943680276189 2970046 CCNC1=NC(=NC(=N1)N)OC2=NN=C(C=C2)OCCOC3=CC=CC=C3 1 3.083 7 3 0 -5.22701811229202 2970034 COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC3=C2C=CC(=C3)O 1 4.416 2 3 -7.59828526163772 2970031 C1=CC=C(C=C1)C(C(=O)O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=C(C=C4)Cl 1 5.226 0 5 -4.27992312144226 2970022 CN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O 1 2.807 2 4 -8.08689223551294 2970016 CC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=CC=C4OC 1 1.803 5 3 0 -5.76599933488 2970010 CCC(CO)NCC1=CC=C(C=C1)C2=CC=CC=C2.Cl Cl- 1 3.247 1 1 5.49479673149824 2970004 CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 3.28 2 3 -4.54767491592337 2969996 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)CSCC3=CC=C(C=C3)Br 1 2.865 2 3 -17.5744045045305 2969992 CCC1=CC=C(C=C1)NC2=NC(CC(=O)N2)C(=O)NC3CCCCC3 1 2.921 4 2 -6.93136895352588 2969987 CCC1=NC(=NN1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 2.094 5 4 0 -11.6205143069505 2969986 CN(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC 1 2.377 3 7 0 -26.2771649811369 2969985 C1=CC=C(C(=C1)CNCC2=CC=NC=C2)OCC3=CC=C(C=C3)F.Cl Cl- 1 3.573 2 1 2.7253017474784 2969969 CN(C1CCCCC1)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 2.846 3 4 0 -9.56974325289121 2969957 CC(C(=O)NC1=CC=CC=C1F)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.05 2 4 -14.1525490247912 2969955 COC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.534 2 4 -18.0472013965158 2969954 CCOC(=O)C1=C(N2C(=O)C(SC2=C(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC)C)N 1 2.462 2 8 0 -15.4878251442443 2969950 CCOC1=CC=CC=C1CNCCNC(=O)C2=NON=C2N.Cl Cl- 1 0.582 5 3 0 -14.5793037831356 2969946 C1=CN(C=N1)CCCNC(=O)NC(C(F)(F)F)C(F)(F)F 1 1.217 4 1 0 -10.6385653846042 2969944 CC1=CC(=CC=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3OC 1 3.416 4 3 0 -28.3806376742489 2969940 CCCCCC(C)N1C2=C(C(=CC(=N2)C)C)C(=O)N1 1 3.788 3 1 -5.335910794187 2969925 CC1=NC(=CC=C1)NC(=O)C2=CC(=C(C=C2)NCCO)[N+](=O)[O-] 1 1.449 4 4 0 -6.81812133146506 2969922 CCOC(=O)CC1=C(C2(C3=CC=CC=C3OC(=C2C(=O)OC)N)C(=O)N1)C(=O)OCC 1 0.57 2 8 0 -12.0675734451116 2969909 C1CCC(CC1)SCCNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 4.261 2 3 -17.7878295051484 2969907 CCOC1=C(C=C(C=C1)Cl)CNCCC2=CC=CC=C2F.Cl Cl- 1 4.474 1 1 2.78361186072788 2969904 C1CCC(C1)NCC(COC2=CC=C(C=C2)[N+](=O)[O-])O.Cl Cl- 1 2.202 2 4 -3.89500795083833 2969902 C1CCC(C1)NCC(COC2=CC=C(C=C2)F)O.Cl Cl- 1 2.513 1 2 -0.677283075102126 2969896 CC(=O)NC1C2=C(C=CC(=C2)Br)N(C1=O)CC3=CC=CC=C3 1 2.436 2 2 -3.06003893210912 2969883 CS(=O)(=O)N(CC(=O)NCC1CCCO1)C2=CC(=C(C=C2Cl)Cl)Cl 1 2.358 2 4 -19.9833072448163 2969880 CC1=CC(=NC(=N1)NC2=C(C=C(C=C2)Br)C(=O)O)C.Cl Cl- 1 2.428 3 2 -3.74795398077749 2969879 C1CN(C(C(=O)N1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3 1 1.992 4 3 0 -21.2555009368098 2969878 COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-] 1 3.677 3 4 0 -4.35183539516629 2969873 C1CC(OC1)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O 1 3.242 1 3 -17.5159463813965 2969869 CCN1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=C(C=C3)NC(=O)C)NC4=CC=C(C=C4)NC(=O)C 1 1.423 9 2 0 -4.09429720530804 2969866 CC1=CC(=CC(=C1)N(C(C)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)C 1 2.815 2 5 0 -11.8329954971879 2969854 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCCO4 1 2.52 3 3 -5.66309360727267 2969832 CC1=CC(=C(C(=C1N(C)S(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)N)C 1 2.687 2 4 -5.7112407222147 2969829 CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.049 2 6 0 -18.0378577618707 2969827 CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC3=NC=CS3 1 2.447 2 4 -12.2357140186577 2969817 COC1=C(C=C(C=C1)CCN2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)CCC3=CC=CC=C3)OC 1 3.664 3 5 0 -12.4613551730791 2969800 CN1CCN(CC1)CC(=O)NC23CC4CC(C2)CC(C4)C3.Cl Cl- 1 1.48 3 1 0 -4.57461134144934 2969750 C1C2CC3CC1CC(C2)(C3)C4=CC(NC(=S)N4)C5=CC6=C(C=C5)OCO6 1 4.431 2 2 -3.54142609493265 2969756 CC1(CC2=C(C(=O)C1)C3(C4=C(C=CC(=C4)Br)OC(=C3C(=O)OC(C)(C)C)N)C(=O)N2)C 1 2.641 2 5 0 -14.8486010976148 2969761 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NOC(=C2)C 1 1.617 2 4 0 -17.6682465850436 2969763 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 3.044 2 3 -3.18828003752268 2969796 CCOC1=CC=C(C=C1)NC(=S)NCCCN2C=CN=C2 1 2.648 4 1 -8.10512643359944 2969793 CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C3CC=CCC3C2=O 1 1.403 2 4 0 -8.22063339077101 2969792 C1CCC(C1)NC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-] 1 2.693 4 2 -5.20535778984603 2969790 COC1=CC=C(C=C1)C(=O)NC(CO)C2=NN=C(N2CC=C)SCC3=CC(=C(C=C3)Cl)Cl 1 4.576 4 3 0 -18.6778025521114 2969780 CCC1=CC2=C3C(=C1)C(=O)C(=O)N3C(CC2C)(C)C 1 3.183 1 2 -1.09190053188738 2969779 CC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)NC4CCCCC4 1 2.009 6 2 0 -6.46441714238126 2969777 CC(C)(CO)NCC1=CC=C(C=C1)SC.Cl Cl- 1 1.952 1 1 0 -0.653579293542364 2969770 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C 1 1.631 4 6 0 -12.3306781117285 2969767 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3 1 1.958 3 3 0 -10.3893973483712 2969765 COC(=O)C1=CC=C(C=C1)NC(=O)CNC2=CC=CC=C2 1 2.13 2 3 -10.0269090075499 2969719 C1COC(C2=CC=CC=C21)CNC(=O)CCC3=CC=CC=C3 1 3.085 1 2 -18.6002026603953 2969703 CCOC1=CC=CC=C1NC(=O)C2CC3CCCC(C2)C3=O 1 2.995 1 3 -3.71957813076391 2969683 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)COC4=CC=C(C=C4)Cl 1 3.117 4 5 0 -3.72872541805322 2969675 CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)Cl 1 4.634 3 2 -6.86582243185718 2969673 CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2)C)C(=O)OCC)C3=CC=CC=N3)C4=CC=CO4 1 2.174 2 6 0 -35.0648012973292 2969670 COC1=CC=CC=C1NC(=O)CSC2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4 1 1.879 2 6 0 -11.1619653025192 2969665 COC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CCN2S(=O)(=O)C)OC)OC)OC 1 2.575 1 6 0 -17.7711976145862 2969655 COC1=C(C=CC(=C1)CNCC2=CC=CC=N2)OCC(=O)NC3CCCCC3.Cl Cl- 1 2.901 3 3 -11.8502544301102 2969653 C1CCC(C1)NCC(COC2=CC=CC=C2Br)O.Cl Cl- 1 3.056 1 2 -2.45990509015844 2969647 CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O 1 5.001 2 3 -12.51335082575 2969639 COC1=CC=CC(=C1)NC(=O)CC2C(=O)NC3CCCCC3N2C(=O)C4=CC=CC=C4 1 2.556 3 4 0 -17.1196524575772 2969634 CN(CC12CC3CC(C1)CC(C3)C2)C(=O)C4=CC=CO4 1 3.113 1 2 -1.01175904934857 2969626 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C)OC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 3.248 2 7 0 -26.2578829353036 2969618 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 -0.548 3 5 0 -11.4924213940615 2969613 CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)NCCSC2=CC=CC=C2 1 2.962 2 3 -18.9124279034683 2969612 C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)Br)[N+](=O)[O-] 1 4.43 4 4 0 -3.59629904044189 2969609 COC1=CC(=CC(=C1OC)OC)C2C3=C(C4=CC=CC=C4CC3)NC(=S)N2 1 4.284 2 3 -15.046051847026 2969605 CC1CN=C(S1)N(C2=C(C=CC(=C2)Cl)OC)C(=O)NC3=CC(=CC=C3)Cl 1 5.483 3 2 -6.13418310012974 2969603 CC1=C(C=C(C=C1)Cl)N=C(N)N=C(N)N 1 1.134 5 0 0 5.3331735024928 2969597 CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)NCCC3=CC=CC=C3)[N+](=O)[O-] 1 4.708 3 3 -6.71249146443111 2969589 CCC(=O)C1=CC=C(C=C1)OCC(CN2CCC(CC2)C(=O)OCC)O.Cl Cl- 1 2.524 1 5 -11.0582459374967 2969582 CC1=CC=C(C=C1)S(=O)(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-] 1 2.578 3 4 0 -7.84061423999674 2969567 CC1=CCC2C(C1)C(=O)N(C2=O)C3=NC4=CC=CC=C4N3C 1 2.72 3 2 -3.53258660495175 2969555 CC1(CC2=C(C(=O)C1)C(C(=O)N2CC3=CC=CO3)(C(F)(F)F)NC(=O)C4=C(C=C(C=C4)Cl)Cl)C 1 4.282 2 4 -10.4454940073509 2969554 CC1=CC=C(C=C1)SCCNC(=O)C2=CC=CC=C2SC 1 4.256 1 1 -11.0383613123037 2969547 CC(C)(C)C1(C(=O)N(C(=O)N1)CC(=O)N2CCOCC2)C3=CC=CC=C3 1 1.146 3 4 0 -10.4511709564234 2969544 CCOC(=O)C1=C(OC2=CC=CC=C2C13C4=C(CCCC4=O)N(C3=O)CC=C)N 1 1.675 2 5 0 -15.4085049108177 2969540 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3CCCO3 1 2.667 2 3 -13.5042602445639 2969539 CC1=CC=CC=C1CC2CCN(CC2)CCCNC(=O)NC3=CC=CC=C3 1 4.291 3 1 -4.37751597412718 2969534 CC(C)C1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)Cl.Br Br- 1 3.849 4 0 -3.95434933460095 2969529 COC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CCN2C(=O)C4=CC=CC=C4Br)OC)OC)OC 1 5.197 1 5 -19.2472713154884 2969510 C1CC(OC1)N2C=C(C(=O)N(C2=O)CC3=C(C=CC=C3Cl)F)F 1 2.034 2 3 -15.2843145897625 2969508 CC1=CC(=NC(=N1)NC2=CC=CC(=C2)C(F)(F)F)C.Cl Cl- 1 2.992 3 0 3.26052688161666 2969506 C=CCN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=C(C=C3)N4C=CC=C4)O 1 3.333 2 3 -11.7464428939911 2969489 CC1=CC=C(C=C1)N(C(C)C(=O)NC2=CC=C(C=C2)OC)S(=O)(=O)C 1 2.537 2 4 -8.50126295363596 2969487 CC(C(=O)NC1=CC=C(C=C1)OC)SC2=NN=C3N2C(=NC4=C3COC(C4)(C)C)C5=CC=C(C=C5)OC 1 4.371 5 4 0 -16.7288194499535 2969483 CC1=CC(=NC(=N1)NC2=CC(=CC=C2)Cl)C.Cl Cl- 1 2.714 3 0 1.64358354869738 2969472 CCOC1=C(C=CC(=C1)S(=O)(=O)NCC2CCCO2)F 1 1.637 1 4 0 -11.1255290520838 2969464 CC12CCC3C1(CN(C2(C3)C#N)NC(=O)C4=CC=C(C=C4)Cl)C 1 2.817 3 1 -2.57349686592695 2969444 CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.382 3 5 0 -16.4729970270661 2969441 C1C(C1(Cl)Cl)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br 1 4.226 1 1 -2.42261310942967 2969440 CC1=CC=CN2C1=NC(=C2)CNC3=CC=CC=C3 1 2.664 3 0 -2.96814791211272 2969439 CS(=O)(=O)NC1=CC=CC=C1C(=O)NC2CC3CCC2C3 1 1.55 2 3 0 -8.69698197147869 2969438 C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC4=C3C(=CC=C4)N2 1 2.373 3 2 -10.9102579336659 2969435 CCOC1=CC2=C3C(=C1)C(CC(N3C(=O)C24NC5=CC=CC=C5S4)(C)C)C 1 4.684 2 2 -5.86266354135887 2969430 CCOC(=O)CC1=CN=C(S1)NC(=O)NC(C2=CC=CC=C2)(C(=O)OCC)C(F)(F)F 1 3.218 3 5 0 -10.0004451070359 2969428 CC1(CC2=C(C(=O)C1)C(C(=O)N2CC3=CN=CC=C3)(C(F)(F)F)NC(=O)C4CC4)C 1 1.714 3 3 0 -15.3015168915341 2969426 CCOC(=O)C1=C(OC2=CC=CC=C2C13C(=C(N(C3=O)CC(=O)OC)CC(=O)OC)C(=O)OC)N 1 0.134 2 10 0 -9.70520737427451 2969425 COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2 1 2.179 4 4 0 -14.1676989873038 2969423 CC1=CC(=NC(=N1)NCCC2=CC(=C(C=C2)OC)OC)C.Cl Cl- 1 2.345 3 2 -4.96835751638759 2969416 CC1=CC(=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)CCC#N)[N+](=O)[O-] 1 3.356 5 5 0 -9.98009120614488 2969415 CC(C1=CC=CC=C1)NC(=O)C2CC3CCCC(C2)C3=O 1 3.047 1 2 -6.67711012581554 2969407 C1CCC(CC1)N2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C3CC3 1 2.253 3 3 -9.95149174587615 2969397 CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2CCCCC2)C#N 1 1.772 3 2 0 -11.0936222985281 2969391 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N)OC.Cl Cl- 1 1.935 3 5 0 -19.4286945469382 2969390 CCOC1=C(C=CC(=C1)Br)S(=O)(=O)N2CC(OC(C2)C)C 1 2.47 1 4 -11.3894013108372 2969387 CCNC(=O)N1C2CCCCC2NC(=O)C1CC(=O)OCC 1 0.673 3 4 0 -17.6205296704248 2969379 C1=CC=C(C=C1)N2C(=NN=N2)COC3=CC=CC=C3 1 2.477 4 1 -8.50112928310588 2969378 CC(C)OC(=O)C1=C2C(=CC3=CN=CC=C3)C(=C(N2C(=O)C(S1)C4=CN=CC=C4)C#N)N 1 0.288 5 3 0 -11.3378569793808 2969375 CC1=CC(=C(C=C1)OCC(CNC2CCCC2)O)C.Cl Cl- 1 3.28 1 2 -1.53389167889918 2969371 C1CCC(C1)NCC(COCCOC2=CC=C(C=C2)Br)O.Cl Cl- 1 2.925 1 3 -1.807487756482 2969370 CCC(=O)C1=CC=C(C=C1)OCC(CNC(C)C2=CC=CC=C2)O 1 3.273 1 3 -5.29177159486737 2969367 CC(=O)NC1(C2=C(NC1=O)N(C(=O)NC2=O)C3=CC=CC=C3)C(F)(F)F 1 0.451 4 4 0 -6.51163674360602 2969359 C1COC(=O)C1SC2=NC(=CS2)C3=CC=CC=C3 1 3.039 1 2 -8.25966511035602e-002 2969345 C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3 1 3.414 3 3 -6.04813086606972 2969336 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC(=C(C=C5)Cl)Cl 1 2.404 2 3 -8.20719714766355 2969325 C1C(CN(C1=O)C2=CC(=C(C=C2)F)F)C(=O)O 1 1.142 1 3 0 -6.35896539462839 2969323 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)C 1 2.426 3 5 0 -10.3804637396426 2969322 COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3F)[N+](=O)[O-] 1 2.956 3 4 0 -4.17558948704627 2969318 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4CCCC4.Cl Cl- 1 2.693 2 1 -6.43634355012135 2969317 C1CCC(C1)N2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C3CC3 1 1.796 3 3 0 -9.59702323170807 2969314 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC=CC(=O)N2 1 1.471 4 4 0 -17.9120340794982 2969308 CC1=CC=C(C=C1)N(C(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C 1 2.723 3 3 -4.94399630697372 2969307 CC1=CC2=C(C(=O)O1)C3(C4=CC=CC5=C4N(C3=O)C(C=C5C)(C)C)C(=C(O2)N)C#N 1 1.664 3 4 0 -9.14596404054048 2969306 C1CN2C(=NC3=C2C=CC(=C3)[N+](=O)[O-])CN1C4=CC=CC=C4 1 3.203 4 2 0.292527194561686 2969276 C1CC(OC1)CNC(=O)CSCC2=C(C=CC=C2Cl)F 1 2.667 1 2 -19.7107075703513 2969275 CC(C1=CC=CC=C1)N2CCN3C(=NC4=C3C=CC(=C4)NC(=O)C5=CC=CS5)C2 1 4.336 4 1 -7.6689638084453 2969266 C1=CC=C(C(=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N)OCC3=CC=C(C=C3)Cl.Cl Cl- 1 4.209 2 3 -2.07235683063526 2969261 C1C(OC2=CC=CC=C2O1)C(=O)NNC(=O)C3=CC=CC=C3 1 1.644 2 4 0 -6.29509551893176 2969258 CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CN=CC=C4)C(=O)CC(C3)(C)C 1 3.401 4 1 -19.1069814270831 2969255 CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)N3CCCC4=CC=CC=C43 1 4.187 1 4 -16.0204136195761 2969253 CC1=C(C=CC(=C1)S(=O)(=O)NCC(C)C)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 3.209 3 4 0 -9.62183526378491 2969250 CC1=NC(=CC=C1)NC(=O)C2=CC(=C(C=C2)NCC3CCCO3)[N+](=O)[O-] 1 2.347 4 4 0 -12.1355031298307 2969238 COC(=O)C1=CC=C(C=C1)OCC(CNC2CCCC2)O.Cl Cl- 1 2.163 1 4 -5.72197022182439 2969229 CC(C(=O)NC1=CC=CC=C1C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)OC 1 1.7 2 6 0 -19.8362832424077 2969217 C=CCOC1=CC=C(C=C1)NC(=O)C(=O)NCCCN2C=CN=C2 1 0.708 4 3 0 -14.9903670615541 2969216 CC1=C(C(=CC=C1)OCCCC(=O)NC2=NN=C(S2)C3CCCO3)C 1 3.059 3 3 -11.5310977282973 2969208 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.786 3 4 0 -12.3350562791421 2969207 CC(C(=O)NC)N1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 1.145 2 3 0 -6.88158944038557 2969203 CCC(C(=O)NC1=NN=C(CS1)C2=CC=C(C=C2)C)SC3=NC(=CC(=N3)C)C 1 4.791 5 1 -13.2128870743934 2969202 CC(C(=O)NCC1=CC=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)F 1 0.923 3 3 0 -14.2266345627809 2969198 C1CCC(C1)NCC(COC2=CC=CC=C2[N+](=O)[O-])O.Cl Cl- 1 2.202 2 4 -6.77088754406212 2969182 CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)CN2CCCC2=O)C(=O)OC 1 -0.857 3 5 0 -24.3682548192084 2969178 CC(CCC1=CC=CC=C1)NC(=O)C(=O)NCCO 1 0.926 2 3 0 -11.9675409401782 2969174 CC1=CC(=NN1C(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3)C 1 2.914 3 4 0 -8.71516428282054 2969170 CC1=CC(=CC=C1)NC2=NC(=CC(=N2)C)C.Cl Cl- 1 2.536 3 0 0.594063250987259 2969164 CC1=NC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N(C)C3CCCCC3)[N+](=O)[O-] 1 4.2 4 3 0 -9.35767698911789 2969145 CC(=O)NC1(C(=O)N(C(=O)N1)CCC2=CC(=C(C=C2)OC)OC)C(F)(F)F 1 1.508 3 5 0 -8.97538102394863 2969139 CCOC(=O)C(CC(=O)C1=CC=CC=C1)(C(F)(F)F)O 1 2.307 0 4 -6.04081480478558 2969137 C1COC(C2=CC=CC=C21)C(=O)NCC3=CC=CO3 1 1.669 1 3 0 -10.5400585971602 2969136 CC1C2CCCCC2(CCN1)O 1 0.856 1 1 0 -4.93806470863525 2969130 COC1=C(C=C(C=C1)CCNC(=O)CCC2COC3=CC=CC=C3O2)OC 1 3.145 1 5 -16.6452223541886 2969124 CC1=CC(=C(C=C1)C(C)C)OCC(CNC2CCCC2)O.Cl Cl- 1 3.988 1 2 -1.57768705852844 2969119 CCC(C1=CC2=C(C=C1NC(=O)C3=CC=CS3)OCCO2)O 1 2.65 1 4 -8.38921468288067 2969116 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-] 1 3.251 5 3 0 -5.61287961608427 2969112 CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCCN4CCCCC4)C 1 4.515 5 0 -5.29129305416092 2969107 CCOC(=O)NNC1CC(=O)N(C1=O)C2=CC=C(C=C2)OC 1 0.553 3 5 0 -8.10301104300907 2969098 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=CC(=N4)C)C)C 1 4.584 5 4 0 -13.2981530046097 2969084 CC1CC(N2C3=C(C(=C(C=C13)C)C)C4(C2=O)C(=C(OC5=C4C(=O)CC(C5)(C)C)N)C#N)(C)C 1 3.528 3 3 -12.9287233854125 2969082 CCOC(=O)CC1=C(C2(C3=CC=CC=C3OC(=C2C#N)N)C(=O)N1CC(=O)OC)C(=O)OCC 1 0.506 3 8 0 -14.4596049752211 2969074 CC(C1=CC=CC=C1)N2CCN3C(=NC4=C3C=CC(=C4)NS(=O)(=O)C)C2 1 2.509 4 2 -5.85025659131854 2969067 CCC(=O)NC(=S)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.638 4 3 0 -6.51045413436506 2969065 C1CC2=C3C(=CC=C2)C4(C(=O)N3C1)NC5=CC=CC=C5S4 1 3.517 2 1 -6.1157787977723 2969052 CN1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=CC=C(C=C3)C4CCCCC4 1 4.76 3 2 0.287551290248341 2969028 CN(C1CCCCC1)C(=O)C2=CC=C(O2)Br 1 3.065 1 2 -5.80136921129324 2969023 COC1=CC(=C(C=C1)NC(=O)CCC2COC3=CC=CC=C3O2)OC 1 2.817 1 5 -12.2117969164721 2969022 CC1=C(C(=NN1)C)C(=O)CC2(C3=C(C=CC(=C3)Br)N(C2=O)CCC4=CC=CC=C4)O 1 3.365 3 3 -5.18597151519105 2969019 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4 1 3.344 3 4 0 -4.25629286489834 2969015 C1COC2=C(O1)C=CC(=C2)N3C(=O)CC(C3=O)NNC(=O)C4=CC=CC=C4 1 1.027 3 5 0 -10.3068172811572 2968989 C1=CC=C(C(=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)N)Cl 1 2.498 4 4 0 -2.13143362279385 2968977 C1C2CC3CC1CC(C2)(C3)NC(=O)COC4=CC=CC=C4F 1 3.221 1 2 -6.74309382595912 2968976 CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3CCCO3 1 2.347 4 4 0 -9.93879029965713 2968971 CCC(=O)C1=CC=C(C=C1)OCC(CN2CCCCC2)O.Cl Cl- 1 2.765 1 3 -8.25416727470868 2968970 CCNC1=NC(=NC(=N1)N)OC2=NN=C(C=C2)OCC3=CC=CC=C3 1 3.034 7 2 0 -4.81736758119815 2968958 C1=CSC(=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N.Cl Cl- 1 1.717 2 2 0 -5.40206507502305 2968952 CC1=CC=C(C=C1)NC(=O)C2CC(=O)NC(=N2)NC3=CC=CC(=C3)C 1 2.669 4 2 -0.820578187729325 2968945 CC1CN=C(S1)NC2=C(C=CC=N2)C 1 2.483 3 0 -5.1002292734148 2968941 CCOC(=O)N1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)NCC(C)C)C 1 1.877 3 6 0 -13.6646895439739 2968934 CCN(CC(=O)N1CCN(CC1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.677 3 3 -10.4408422837166 2968933 C1CN(C(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCCO3)C(=S)NC4=CC=CC=C4 1 2.732 4 4 0 -32.7582046624606 2968928 CC1(CC2=C(C(=O)C1)C3(C4=CC=CC=C4OC(=C3C(=O)OC)N)C(=O)N2CC(=O)OC)C 1 0.874 2 7 0 -15.4444653258291 2968927 CCC(C(=O)C1=CC=CC=C1)N(C(=O)C2=CC=CC=C2Cl)N3C(=O)C4C5CC(C4C3=O)C=C5 1 4.078 2 4 -3.88584408587659 2968920 CC(C(=O)N1CCOCC1)OC2=CC=C(C=C2)C3=CC=CC=C3 1 2.769 1 3 -8.3197960141432 2968919 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)C3=NC(=C(S3)C)C(=O)C 1 2.738 2 3 -5.02925222762451 2968916 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2COC3=CC=CC=C3O2 1 3.054 1 5 -12.0655255208481 2968907 CCCCC(=O)NC1(C(=O)N(C(=O)N1)C)C(F)(F)F 1 1.216 3 3 0 -8.88792639212945 2968904 CC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=C(C=C3)OC 1 1.612 3 4 0 -26.7247331579964 2968903 CC(C)CN1C(=O)C(NC1=O)(C(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)N 1 1.449 4 4 0 -6.69984759152417 2968897 CC(C1=CC=CC=C1)NCC2=CC=CN2C.Cl Cl- 1 2.706 2 0 -1.55367903307705 2968893 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2CCCO2)S(=O)(=O)C 1 0.243 3 7 0 -23.7120579961275 2968891 C1CCC2C(C1)C(=O)N(C2=O)N(CC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl 1 4.503 2 4 -4.1380436897154 2968869 C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CNCC3=CC=NC=C3.Cl Cl- 1 4.116 2 1 2.83282169385617 2968867 CCN(CC)C1=NC(=NC(=N1)N2CCOCC2)OC3=NN=C(C=C3)OCC 1 2.331 7 3 0 -6.5704433674883 2968864 COC1=CC(=CC=C1)OCC(CNC2CCCC2)O.Cl Cl- 1 2.291 1 3 -2.3917320368876 2968856 COCCN1CCN2C(=NC3=C2C=CC(=C3)[N+](=O)[O-])C1 1 1.4 4 3 0 -0.760645964243429 2968841 CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)C2=CC3=C(C=C2)OCO3 1 2.246 2 5 0 -19.0398723033733 2968840 CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)OC(C)(C)C)C 1 3.359 2 3 -10.6110431361719 2968838 CCOC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CC(OC(C2)C)C 1 3.122 1 4 -11.9883717912795 2968833 CCOC1=CC2=C3C(=C1)C(CC(N3C(=O)C24C(=C(N5C6=CC=CC=C6NC5=C4C#N)N)C#N)(C)C)C 1 3.694 6 2 0 -11.0854022305647 2968829 COC1=C(C=CC(=C1)CNCC2=CC=CC=N2)OCC3=CC=C(C=C3)Cl.Cl Cl- 1 4.23 2 2 -1.73855694845948 2968825 CC(C)CN1C2=C(C(=O)NC1=O)C(C(=O)N2)(C(F)(F)F)NC(=O)C 1 6.7e-002 4 4 0 -10.6597308434884 2968817 CC1=C(C(C(=O)N1C(C)C)(C(F)(F)F)NC(=O)C2CCCCC2)C(=O)OC 1 2.68 2 4 -8.83419491247586 2968809 COC1=CC(=C(C=C1)OC)N=C(N)N=C(N)N 1 -5.e-002 5 2 0 2.07361650078341 2968798 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=CC=C3 1 3.32 1 4 -11.6283150863739 2968796 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCC3=CC=NC=C3 1 1.943 3 3 0 -18.5047777181275 2968787 CC1=CC(=NC(=N1)NC2=C(C=C(C=C2)Cl)C)C.Cl Cl- 1 3.2 3 0 0.215769987328917 2968782 CC1=CC2=C3C(=C1)C(=CC(N3C(=O)C24C(=C(OC5=C4C(=O)CC(C5)(C)C)N)C#N)(C)C)C 1 2.927 3 3 -13.7171836986414 2968781 C1CC(OC1)CN2CCN3C(=NC4=C3C=CC(=C4)[N+](=O)[O-])C2 1 1.89 4 3 0 -5.71974905926578 2968776 CCOCCCNCC1=C(C=CC(=C1)Cl)OCC.Cl Cl- 1 2.644 1 2 -0.74400982529134 2968767 CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CN=CC=C2)C3=CC=C(C=C3)F 1 2.547 3 4 0 -13.5592748963528 2968744 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCC3=CC=CC=C3 1 3.094 2 3 -18.7955881721311 2968734 CCC1CCCCN1C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O 1 3.84 1 3 -13.1654055900696 2968723 CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C(C)NC(=O)CC3=CC=C(C=C3)OC 1 4.323 4 3 0 -16.4416353180553 2968713 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C 1 2.723 3 4 0 -9.12274833478376 2968710 CCCC1=C(C=C(O1)C(=O)O)CN2CCOCC2.Cl Cl- 1 -1.15 1 4 0 -3.46268778339503 2968707 CCN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)SC 1 3.444 4 1 1.66118729779285 2968701 CCOC(=O)N1CCN(CC1)C(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 1.092 3 5 0 -9.383948888821 2968699 CC1CN=C(S1)N(C2=CC=CC(=N2)C)C(=O)NC3=CC=C(C=C3)Cl 1 4.506 4 1 -6.17311952930856 2968696 CCN(CC1COC2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)C 1 3.245 1 4 -7.72036507878073 2968694 COC1=CC=C(C=C1)CNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OCC(=O)N4CCCCC4 1 2.043 3 5 0 -19.0490880247245 2968691 CCC(=O)C1=CC=C(C=C1)OCC(CN(C)C2CCCCC2)O 1 3.706 1 3 -11.1810916436063 2968682 CCOC(=O)C1=C(N2C(=O)C(SC2=C(C1C3=CC=CC=C3)C(=O)OCC)C)N 1 2.511 2 5 0 -13.2470130666309 2968676 CC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=CC=C4 1 1.819 5 2 0 -4.79534054584561 2968669 CSC1=NC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)N=N1 1 4.556 4 0 -6.17798831400181 2968664 CCN1C(=NN=C1SCCOC2=CC=C(C=C2)OC)C(CO)NC(=O)C3=CC=C(C=C3)OC 1 3.012 4 5 0 -15.4861795834538 2968659 CC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)NC4=CC=CC=C4 1 1.728 6 2 0 -2.52273786023577 2968658 COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.399 2 5 0 -16.8514581374478 2968654 C1C2C=CC1C3C2C(=O)N(C3=O)N(CC(=O)C4=CC=C(C=C4)F)C(=O)C5=C(C=C(C=C5)Cl)Cl 1 3.94 2 4 2.7919712230251 2968639 CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CC 1 3.271 4 2 -13.1188523770831 2968636 CC1CC2(CCCCC2)N3C4=C(C=CC=C14)C(=O)C3=O 1 3.373 1 2 -1.02962239702867 2968626 CCC1=CC=CC=C1N2CC(CC2=O)C(=O)O 1 1.673 1 3 0 -8.7355370043132 2968602 COC(=O)C1=CC(=CC(=C1)N2C(=O)CC(C2=O)NNC(=O)C3=CC=CC=C3Br)C(=O)OC 1 1.701 3 7 0 -14.5861809119522 2968597 CCOC1=CC=CC=C1CNCC2=CC=C(C=C2)F.Cl Cl- 1 3.489 1 1 1.64355050525506 2968596 CSC1=CC=CC=C1C(=O)NC2CC3CCC2C3 1 3.181 1 1 -8.19352431302479 2968591 C1CCC(C1)NCC(COC2=CC=C(C=C2)C3=CC=CC=C3)O.Cl Cl- 1 3.826 1 2 1.77373630143032 2968582 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 4.824 1 6 0 -23.2019500472289 2968580 COC1=C(C=C(C=C1)CCN2C(=O)C(NC2=O)(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)N)OC 1 2.129 4 6 0 -7.14096961503326 2968574 C1=CC=C(C=C1)C2=CC=C(C=C2)CNCCO.Cl Cl- 1 2.346 1 1 4.9971423348827 2968567 CCC(=O)N1CCNC(=O)C1CC(=O)NC2=CC(=C(C=C2)C)Cl 1 1.295 3 3 0 -27.3764260567512 2968549 COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)OC34CCCCC4 1 3.233 2 5 0 -8.68713512874398 2968548 C1CC(N(C1)C(=S)NC2=CC=CC=C2)CO 1 2.998 2 1 -6.22719397040681 2968531 C1CCC(CC1)NC(=O)CCC2COC3=CC=CC=C3O2 1 3.132 1 3 -10.9594529413606 2968527 CC(C1=NN=C(N1C)SCC2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=C(C=C3)OC 1 4.848 4 2 -15.2838424280112 2968525 CCCCN1C(=O)C(NC1=O)(C(F)(F)F)NC(=O)C 1 0.965 3 3 0 -6.57305633800375 2968521 CC(=O)C1=CC=CC=C1OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O 1 2.728 3 5 0 -11.9886430247672 2968511 COC1=CC=C(C=C1)CCNC(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.566 2 4 -13.7175143391136 2968508 C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC3=C2C=CC(=C3)O 1 4.267 2 3 -5.4930479546972 2968503 CC1=C(C=C(C=C1)C(=O)NCCSC2=CC=CC=C2)S(=O)(=O)NC3=CC=CC=C3 1 4.202 2 3 -11.2310767154978 2968499 C1CCC(C(C1)C(=O)NCCC2=CC=C(C=C2)Cl)C(=O)O 1 3.254 1 3 -6.07749480528854 2968498 C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)F)N 1 2.08 2 1 -6.56130153463482 2968496 C1CCC(CC1)NC(=O)CN2C(=O)C3CC=CCC3C2=O 1 1.352 2 3 0 -9.93676028480933 2968490 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=NC=CS4 1 2.341 3 5 0 -13.8109680991224 2968489 CCOCCCNCC1=C(C=CC(=C1)Br)OCC.Cl Cl- 1 2.728 1 2 -3.10422634305421 2968488 CC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCOC(C4)(C)C 1 1.441 3 3 0 -12.0631235343622 2968465 CCCN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC4=C(C=C3)OCCO4)O 1 2.498 1 5 -11.9314855044926 2968458 COCCCNS(=O)(=O)C1=CC=C(C=C1)SC 1 1.214 1 3 0 -6.30890781186975 2968457 CCN(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.588 3 3 -10.6165488168185 2968451 CCC1=CC=C(C=C1)NC2=NC(=CC(=N2)C)C.Cl Cl- 1 2.992 3 0 -1.59762719109811 2968449 COC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CO2)Cl 1 2.768 1 4 -6.2064239073836 2968447 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N(C)S(=O)(=O)C4=CC=C(C=C4)OC 1 2.384 4 5 0 -21.9852119706925 2968437 COC(=O)C1=CC=C(C=C1)NC(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.11 2 5 0 -12.7459727699862 2968435 CC(C(=O)N)N1C2=CC=CC3=C2C(=CC=C3)C1=O 1 1.237 2 2 0 -4.14275711396139 2968434 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)C 1 2.212 3 6 0 -22.0250337553757 2968432 CSC1=CC=C(C=C1)S(=O)(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 4.195 1 2 0.961962738862444 2968424 COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CN=CC=C3)[N+](=O)[O-] 1 1.6 4 4 0 -6.42579147790559 2968419 CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)Br 1 4.2 4 2 -14.6408935511834 2968418 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 1.958 3 3 0 -12.4856765245293 2968415 CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CNCC4=CC=CC=C4)O 1 3.01 4 2 -4.60414698012772 2968405 C1=CC(=CC=C1NC(=O)CSC2=NNC(=N2)N)[N+](=O)[O-] 1 0.978 6 3 0 -9.77951502090202 2968398 COCCN1CCN2C(=NC3=C2C=CC(=C3)NC(=O)C4=CC=CS4)C1 1 2.244 4 2 -5.48321396854257 2968391 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-] 1 2.478 5 4 0 -7.55643425296512 2968385 CCC(C)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC 1 2.268 1 4 -17.4755804560561 2968376 CC(C1=CC=CC=C1)N2CCN3C(=NC4=C3C=CC(=C4)NC(=O)NC5CCCCC5)C2 1 4.572 5 1 -9.40834412162043 2968373 COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)NCC2CCCO2 1 1.731 1 5 0 -12.323494684743 2968371 CC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=CS4 1 1.773 5 2 0 -4.62764260268135 2968365 CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.3 2 5 0 -14.1558930803793 2968364 CCOC(=O)C(C1=CC=CC=C1)(C(F)(F)F)NC(=O)NC2CCCCC2 1 3.973 2 3 -8.53645915155268 2968353 COC1=C(C=CC(=C1)CNCCNC(=O)C2=NON=C2N)OCC3=CC=C(C=C3)Cl.Cl Cl- 1 2.464 5 4 0 -15.9713483026505 2968347 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CO3 1 2.612 2 5 0 -14.239160644869 2968318 CC1=CC(=CC(=C1)N(C(C)C(=O)N2CCOCC2)S(=O)(=O)C)C 1 1.356 2 4 0 -11.2755174508658 2968311 C1CCC(CC1)NC(=O)NC2=NC(=O)C(S2)(C(F)(F)F)F 1 3.499 3 2 -10.9612822685351 2968297 C=CCSC1=NN=C(S1)NC(=O)CSC2=CC=CC=N2 1 2.57 4 1 -20.9148283260484 2968290 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3 1 2.551 2 3 -18.4490500921512 2968289 C1=CC2=C(C=CC(=C2)O)C(=C1)NC(=S)NC(=O)C3=CC=CO3 1 3.827 2 3 -5.69438556826895 2968274 CC(C)NS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC)Cl 1 3.047 2 6 0 -23.5834807065916 2968266 CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 3.711 3 3 -5.27023872442865 2968264 CCCCCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC 1 3.488 3 2 -13.3422926472605 2968259 CC(C(F)(F)F)(C(F)(F)F)NC(=O)NCC1CCCO1 1 1.976 2 2 0 -13.9315262272234 2968254 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC=C3 1 2.408 2 5 0 -14.3388982019834 2968250 CC1=CSC(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 3.232 3 1 -10.3902074401189 2968236 C1COC(C2=CC=CC=C21)C(=O)NC3=CN=CC=C3 1 1.329 2 2 0 -4.35384534077485 2968221 C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=CC=CC=C2C(=O)N)N 1 0.696 5 3 0 -23.0194253007721 2968220 CC(C)CC1=NN=C(S1)NC(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3 1 2.948 5 2 0 -18.758120104946 2968217 COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)NC3=CC=CC=C3 1 2.76 4 2 -5.42988388426867 2968207 CC(=O)NC1(C(=O)N(C(=O)N1)CCC2=CC=CC=C2)C(F)(F)F 1 1.541 3 3 0 -5.37911499121505 2968203 C1CCN(C1)CCCNC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 1.502 4 3 0 -9.91934023502579 2968198 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)N2CCCCCC2 1 2.257 2 3 -9.10301946017243 2968196 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2 1 2.365 2 3 -12.8274089482259 2968194 C1CC(OC1)CN2C(=CC=C2C3=CC=CC=C3)CCC(=O)O 1 3.289 1 3 -14.5467168527691 2968193 CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CC3=CC=CC=C3 1 3.359 3 2 -8.22980912029383 2968187 CC(C)OCCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1 1 2.307 1 3 -8.80923743715513 2968184 CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 1.754 3 4 0 -6.50855128481272 2968165 CC1=CC(=NC(=N1)NCC2=CC=C(C=C2)Cl)C.Cl Cl- 1 2.721 3 0 1.07860269969648 2968162 C1C2CC3CC1CC(C2)(C3)NC(=O)N(CC4=CC=CC=C4)CC5=CC=NC=C5 1 3.735 3 1 -5.04546654224841 2968154 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=NN=C(S2)SCC=C 1 2.758 5 2 0 -27.1633892854484 2968139 CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=CC(=O)N2 1 0.83 3 3 0 -12.309948616066 2968136 COC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)OC 1 2.839 2 5 0 -22.3025694005836 2968134 CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)N3CCOCC3 1 1.594 2 2 0 -3.76131513462714 2968126 CCCN(CCC)C(=S)NC(=O)C1=C(C=C(C=C1)Cl)Cl 1 5.521 2 1 -6.08156635350748 2968118 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.513 3 3 -5.09434512689507 2968114 C1C(CN(C1=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O 1 2.298 1 4 -9.11405167889684 2968088 C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC3=CN=CC=C3)C(F)(F)F 1 2.167 3 2 -1.63560636345166 2968086 CC1=CC(=C(C=C1)OC(=O)CCN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46)C(=O)C 1 3.981 1 5 -15.9752568334325 2968085 CCNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3)[N+](=O)[O-] 1 4.141 4 4 0 -18.4590162083286 2968082 C1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC4=NC=CC=N4 1 0.986 6 3 0 -4.81676339157274 2968080 CCC1=C(N=C(N=C1N2C(=N2)SCCOC3=CC=CC=C3)N)C 1 3.805 5 1 -9.22191081524544 2968075 CCOC(=O)C1=C2C(=CC3=CC=CC=C3F)C(=C(N2C(=O)C(S1)C4=CC=CC=C4F)C#N)N 1 2.623 3 3 -7.72315582209002 2968066 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3C(=O)O 1 2.295 2 5 0 -18.0944345335859 2968061 CC1=C(C=C(C=C1)NC(=O)CCSC2=NN=NN2C3=CC4=C(C=C3)OCO4)C 1 3.425 5 3 0 -19.8919797393723 2968040 CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)C 1 5.684 2 2 -16.752877180722 2968032 CC1=C(C(C(=O)N1C(C)C)(C(F)(F)F)NC(=O)C)C(=O)OC 1 0.554 2 4 0 -10.0586367242228 2968025 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)C 1 2.01 3 4 0 -7.52673346993755 2968011 C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)CNCC3=CC=NC=C3.Cl Cl- 1 4.032 2 1 3.3893646793951 2968010 CCC(=O)C1=CC=C(C=C1)OCC(CNC2CCCC2)O 1 2.714 1 3 -7.0010322068659 2968003 CC(C(=O)O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=C(C=C3)OC 1 3.311 0 6 -4.33034168520063 2967997 CC1=C(C=C(C=C1)NC(=O)C2C3=CC=CC=C3CCO2)Cl 1 3.631 1 2 -3.22785111919555 2967986 COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])CCC#N)OC 1 3.051 5 5 0 -11.25826737205 2967983 COC1=CC=C(C=C1)OCC(CNC2CCCC2)O.Cl Cl- 1 2.291 1 3 -1.94740288091108 2967977 CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCN4CCCCC4 1 5.358 5 0 -10.1963529732749 2967976 CN(C1=CC=C(C=C1)C(=O)NCC2CCCO2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.057 2 6 0 -24.7515080019144 2967971 CCOC(=O)C(C1=CC=C(C=C1)NC(=O)NC2CCCCC2)(C(F)(F)F)O 1 3.361 2 4 -9.98527747406378 2967969 CC1=C(C(=CC=C1)OCCCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C 1 3.869 2 5 0 -10.1300985300958 2967968 C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3 1 3.87 3 3 -6.04813086606972 2967964 CCCSC1=NN=C2N1C(=CC(=N2)C)C 1 2.741 4 0 -11.1626625454717 2967961 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3CCCO3 1 1.326 2 4 0 -21.8210002095729 2967957 C1C(SC(=NC1=O)NNC(=O)C2=CC=CC=C2)C(=O)O 1 1.004 3 4 0 -10.3522751595472 2967955 CC1=C(C=C(C=C1)OCC(CNC2CCCC2)O)C.Cl Cl- 1 3.28 1 2 -1.57507208573309 2967949 CC1=CC(=C(C(=C1N(C)S(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)N3CCOCC3)C 1 2.786 2 5 0 -13.6143758292988 2967948 CN1C(=NN=N1)SC2CC(=O)N(C2=O)C3=CC=CC=C3 1 0.919 5 2 0 -8.96727510260307 2967944 C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3C(=O)N 1 1.669 4 3 0 -17.1736233213842 2967932 C1CCC(C1)NCC(COC2=CC=C(C=C2)Cl)O.Cl Cl- 1 2.972 1 2 0.432838590019441 2967929 C=CCOC1=CC=C(C=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N.Cl Cl- 1 2.578 2 3 -9.91067960070199 2967921 CCCC(=O)NC1=CC2=C(C=C1C(=O)C)OCCO2 1 1.599 1 4 0 -16.5849275191787 2967915 C1C(CN(C1=O)C2=CC=C(C=C2)O)C(=O)NCC3=CC=CO3 1 0.832 2 4 0 -12.0907838823742 2967912 COC1=CC(=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3)Br)N(C2=O)CC=C)O)OC 1 3.172 1 5 -10.3547946517168 2967911 CC1=CC(=CC(=C1)N(C(C)C(=O)N2CCCC2)S(=O)(=O)C)C 1 2.13 2 3 -9.35275248692209 2967903 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C34CC5CC(C3)CC(C5)C4 1 4.514 3 2 4.65592267044658 2967902 CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=CC=C(C=C3)OC 1 1.852 6 3 0 -21.6665908064584 2967885 CC(C)(C)C1=CC(=C(C=C1)OC)S(=O)(=O)NCC2CCCO2 1 2.483 1 4 -8.11653700320172 2967875 CC1=CC=C(C=C1)N(C(C)C(=O)NC2=C(C=C(C=C2)OC)OC)S(=O)(=O)C 1 2.521 2 5 0 -11.8681791245017 2967865 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3CC3(Cl)Cl 1 3.461 1 2 -3.50879103876799 2967855 CC(C(=O)O)N1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 1.567 1 4 0 -4.55892598131308 2967841 CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C(CO)NC(=O)C3=CC=CC=C3 1 2.056 5 3 0 -26.0004604703248 2967839 C=CCC1=CC=CC=C1OCC(CNC2CCCC2)O.Cl Cl- 1 3.315 1 2 -7.22953097198687 2967824 CCCCNC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=N2)C)[N+](=O)[O-] 1 3.317 4 3 0 -9.61008617443732 2967823 C1=CSC(=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CCC#N 1 3.038 5 3 0 -10.8466950723099 2967820 CC1=C(C(C(=O)N1CC2=CC=CO2)(C(F)(F)F)NC(=O)C3CCCCC3)C(=O)C 1 2.594 2 4 -7.14795989582275 2967818 CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C 1 4.197 3 5 0 -19.572249226182 2967815 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2(C(=O)NC(=N2)C3=CC=CC=C3)C(F)(F)F 1 1.847 4 4 0 -8.40032207402132 2967810 CC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=C(C=C3)OC)COC)C(=O)N1 1 1.045 3 4 0 -12.4636075422344 2967805 CCOC(=O)CC1C(=O)NCCN1C(=O)NC2=CC=CC=C2 1 0.47 3 4 0 -25.6376854705336 2967793 C1=CC(=C(C(=C1)Cl)CNCC2=CC=C(C=C2)C(=O)O)Cl.Cl Cl- 1 1.205 1 2 0 -2.33479411711766 2967781 CC1=C(C=C(C=C1)NC(=O)C2C3=CC=CC=C3CCO2)C 1 3.452 1 2 -3.90762178774439 2967769 CCOC(=O)CC1=CSC(=N1)NC(=O)C(C)OC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 3.115 2 6 0 -16.7895357071408 2967763 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-].Cl Cl- 1 3.708 5 3 0 -5.96734813025235 2967761 COC1=C(C=CC(=C1)S(=O)(=O)NCC2CCCO2)Br 1 1.831 1 4 0 -10.2481617230712 2967757 C1CC(OC1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=CC=C3 1 2.549 2 4 -14.074288901147 2967754 CC1=CC(=NC(=N1)NC2=CC(=C(C=C2)OC)Cl)C.Cl Cl- 1 2.698 3 1 -1.94010056542435 2967753 CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C(CO)NC(=O)C3=CC=CC=C3 1 2.331 5 3 0 -24.5260795476178 2967752 CC1CCCCN1CCCN2C(=O)C3=CC=CC=C3NC2=S 1 3.637 3 1 -8.0187786338361 2967748 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4 1 3.569 3 2 -8.84980846420861 2967742 C1=CC=C(C=C1)C2=CC=C(C=C2)CNCCCO.Cl Cl- 1 2.409 1 1 5.79087112469651 2967736 CCCC1=C(C=C(O1)C(=O)O)CN2CCCC2.Cl Cl- 1 -0.377 1 3 0 -0.709613058314861 2967728 CCOC1=C(C=CC(=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N)OCC3=CC=CC=C3.Cl Cl- 1 3.877 2 4 -10.0663451214171 2967718 CCOC(=O)C1=C2C(=CC3=CC=NC=C3)C(=C(N2C(=O)C(S1)C4=CC=NC=C4)C(=O)OC)N 1 -0.113 4 5 0 -7.65512153999824 2967714 CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC 1 3.869 2 3 -2.84054421079309 2967712 CCOC1=C(C(=CC(=C1)CNCC2=CC=NC=C2)Br)OCC3=CC=C(C=C3)F.Cl Cl- 1 4.653 2 2 -0.890149422214408 2967702 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3F 1 2.419 2 2 -14.3507248710176 2967691 CC1=CC=C(C=C1)N(C(C)C(=O)N2CCN(CC2)C3=CC=CC=C3OC)S(=O)(=O)C 1 2.796 3 4 0 -6.70095070234778 2967689 C1CC(OC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N 1 0.614 3 4 0 -15.7884450721908 2967683 CCC1=CC=C(C=C1)NC2=NC(CC(=O)N2)C(=O)C3=CC=CC=C3 1 3.258 3 2 -2.33662982381014 2967682 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CN=CC=C3 1 1.178 3 4 0 -21.2819678223903 2967677 CN(C1CCCCC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3 1 3.619 3 3 -5.05139131719249 2967676 CN(CC(=O)N1CCN(CC1)C2=CC=CC=C2F)S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 2.014 3 5 0 -6.46283114996051 2967661 CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC#N 1 2.806 3 0 -15.5384654058953 2967658 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=C(C=C3)F 1 1.852 2 5 0 -16.9635212861696 2967652 CCOC1=CC=CC=C1N(CC(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)SC 1 2.137 3 5 0 -15.0022482290449 2967650 C1CC2=CC=CC=C2C(=O)C1OC(=O)C3=CC=CC=C3O 1 3.365 0 4 -0.299127364447782 2967649 C1CC2CC(CC(C1)C2=O)C(=O)NC3=NC(=CC=C3)NC(=O)C4CC5CCCC(C4)C5=O 1 3.424 3 4 0 0.902285488940791 2967643 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)N3CCOCC3 1 1.404 2 4 0 -18.106902128173 2967638 CC1=CC(=NC(=N1)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C.Cl Cl- 1 1.928 4 3 0 -6.22778294864812 2967634 CC(C(=O)NC1=CC=CC(=C1)C(=O)C)NS(=O)(=O)C2=CC=C(C=C2)OC 1 1.585 2 5 0 -16.2574577250698 2967629 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)CC4=CC=CC=C4)C(F)(F)F 1 0.946 5 6 0 -10.9768995732327 2967628 CC1=CC=CC2=NC(=CN12)CSC3=CC=C(C=C3)Cl 1 3.857 2 0 4.70703130241084 2967627 CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC3=NC(=C(S3)C(=O)C)C 1 2.761 2 5 0 -14.4999498864435 2967616 CCOC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.5 2 5 0 -16.8099264284915 2967611 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC=CC=C3Cl 1 3.337 2 3 -16.5203544929995 2967603 C1CCC(C(C1)C(=O)NC2=CC3=C(CCC3)C=C2)C(=O)O 1 3.318 1 3 -7.3696817450178 2967591 CC12CCC3C1(CN(C2(C3)C#N)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C 1 2.539 3 3 -6.32519596865931 2967571 CC(C(=O)NC1=CC=C(C=C1)OC)N2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.706 2 4 -7.69584940852868 2967554 CCOC(=O)C1=C2C(=CC3=CC=CC=C3OC)C(=C(N2C(=O)C(S1)C4=CC=CC=C4OC)C#N)N 1 2.179 3 5 0 -9.36877984668863 2967551 COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.023 3 4 0 -7.70506790056465 2967534 CC1=C(N=C2N=C(NN2C1=O)C3=CC=CC=C3)C 1 1.273 4 1 0 -3.46232692225721 2967530 CCC1=CC=C(C=C1)OCCOCC(CNC2CCCC2)O.Cl Cl- 1 3.119 1 3 -2.41226483774647 2967529 CCOC1=C(C(=CC(=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N)Cl)OCC3=CC=CC=C3.Cl Cl- 1 4.541 2 4 -8.34095017141264 2967520 CC(C1=CC=CC=C1)N2CCN3C(=NC4=C3C=CC(=C4)NC(=O)C)C2 1 2.718 4 1 -6.66154856301097 2967507 COC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42 1 4.727 4 2 -18.4313389272122 2967501 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)C)C(F)(F)F 1 -0.637 5 6 0 -11.1345582152664 2967498 C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=NC=CS3 1 2.652 2 3 -6.96643957304941 2967487 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC=CC(=O)N2 1 1.713 3 4 0 -22.6860880693524 2967481 CCN1CCN(CC1)C(=O)CN(CC)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.776 3 3 0 -13.6223604271655 2967474 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)O)Cl 1 1.831 1 5 0 -15.1763645042752 2967472 CC(C)CC(=O)NC1(C(=O)N(C(=O)N1)C2=CC=CC=C2)C(F)(F)F 1 2.588 3 3 -8.59704083626142 2967453 C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CCC#N 1 3.084 5 3 0 -7.59042000426357 2967451 CC1=CC(=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)CCC#N)[N+](=O)[O-] 1 3.524 5 3 0 -10.7126706246463 2967445 CC(C1=CC=CC=C1)NC(=O)CSCC2=CC=C(C=C2)Br 1 4.147 1 1 -13.4491571523853 2967444 CC1=C(SC(=N1)NC(=O)C2CC3CCCC(C2)C3=O)C 1 2.088 2 2 -1.85454359338404 2967443 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C)OC 1 1.395 3 4 0 -12.6905754427399 2967437 CC(C)CC(C(=O)NC1=CC=CC=C1)N2C(=O)C3C4CC(C3C2=O)C=C4 1 2.462 2 3 -11.808221373088 2967431 CCOC(=O)C1CCCN(C1)CC(COC2=CC=CC=C2C(=O)C)O.Cl Cl- 1 1.992 1 5 0 -12.9493359217069 2967430 CC(C)C(=O)C1=CC2=C(C=C1NC(=O)C)OCCO2 1 1.605 1 4 0 -10.4353299718088 2967428 C1C2C=CC1N(C2(C(F)(F)F)C(F)(F)F)C(=O)C3=CN=CC=C3 1 2.537 2 1 -4.30122367818928 2967427 C1=CC=C2C(=C1)C=CN2CC(CN3C(=O)C4=CC=CC=C4S3(=O)=O)O 1 2.202 2 4 -1.33905040591266 2967417 CCCC1=C(C=C(O1)C(=O)O)CN.Cl Cl- 1 -1.25 1 3 0 -4.37872322686162 2967414 CC1=CC=C(C=C1)NC(=O)NCCCN2CCN(CC2)C3=C(C=CC(=C3)OC)Cl 1 3.911 4 2 -1.65647296329324 2967412 C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)CNCC3=CC=NC=C3)F.Cl Cl- 1 4.321 2 1 4.35951362410102 2967411 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3 1 1.958 3 3 0 -15.1571397213659 2967404 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.252 3 1 1.07392960984595 2967386 CC(C(=O)NC1=CC=CC=C1C(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.787 2 4 -13.7591835443422 2967384 CC1=CC(=CC(=C1)N(C(C)C(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C)S(=O)(=O)C)C 1 2.157 3 5 0 -10.64252019069 2967377 CC1=NC(=CC=C1)NC(=O)C2=CC(=C(C=C2)NC(C)C3=CC=CC=C3)[N+](=O)[O-] 1 3.949 4 3 0 -7.80910690926459 2967370 COC1=C(C=CC(=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N)OCC(=O)NC3CCCCC3.Cl Cl- 1 2.862 3 5 0 -16.7275757059699 2967368 C1CC2CC1CC2N3C(=NN=N3)SCC(=O)NC4=CC=NC5=CC=CC=C54 1 2.648 6 1 0 -21.7421525711864 2967365 CCOC(=O)CN1C(=C(C2(C1=O)C3=CC=CC=C3OC(=C2C#N)N)C(=O)OC)C 1 0.551 3 6 0 -12.4003306242059 2967360 CC1=CC(=C(C=C1)N(CC2=CC3=C(C=C(C=C3)C)NC2=O)S(=O)(=O)C4=CC=CC=C4)C 1 4.948 2 3 -11.5788670300634 2967353 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC 1 1.289 1 4 0 -8.54128759247949 2967351 CCCCCNC(=O)C(C)NS(=O)(=O)C1=CC=C(C=C1)OC 1 2.053 2 4 -18.0740962146214 2967331 CCOC(=O)C1CCN(CC1)C(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 1.56 2 5 0 -12.2779607149132 2967317 CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC(=CC(=N2)C)C.Cl Cl- 1 2.43 4 2 -4.60007122620223 2967313 C1C(OC2=CC=CC=C2O1)CCC(=O)NCC3=CC=CC=C3 1 2.857 1 3 -13.8089228303332 2967311 CC(C(=O)NC1=CC(=CC=C1)SC)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.608 2 3 -10.4591707181046 2967309 CC1=C(C=CC(=C1)Br)NC(=O)CN2C(=O)C3C4CC(C3C2=O)C(C4)C5=CC=CC=C5 1 3.71 2 3 -11.6139222893095 2967300 COC1=C(C(=CC(=C1)CNCC2=CC=CC=C2)Cl)OC.Cl Cl- 1 3.582 1 2 0.259664028037149 2967293 CC1=CC2=C3C(=C1)C(=CC(N3C(=O)C24C5=C(CCN4)C6=CC=CC=C6N5)(C)C)C 1 4.457 3 1 -5.96353888928963 2967291 CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)O)C)C=O 1 3.556 1 3 -9.35508676241105 2967278 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4 1 4.301 3 2 -2.92613456134253 2967277 CCC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)O 1 1.68 1 3 0 -11.6550432941556 2967270 CCOC1=CC2=C3C(=C1)C(=O)C(=O)N3C(CC2C)(C)C 1 2.574 1 3 -2.8311894981697 2967250 CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)OC 1 1.739 3 6 0 -15.7425135363938 2967244 CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=CS4)C(=O)CC(C3)(C)C 1 4.294 3 1 -21.322682167351 2967243 CCN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC(=CC=C3)N4C=CC=C4)O 1 3.065 2 3 -7.80120268672869 2967238 CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=CC5=C(C=C4)OCO5)C(=O)CC(C3)C6=CC=CO6)C 1 2.946 3 5 0 -42.2908627814202 2967232 CCCCCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3 1 4.029 3 2 -10.1114242947099 2967231 CC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCC4=CC=CC=C4C3 1 3.129 4 3 0 -7.0416036881728 2967226 CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 4.406 3 5 0 -13.0902648716844 2967223 C1C2C=CC1C3C2C(=O)N(C3=O)N(CC(=O)C4=CC=CS4)C(=O)C5=CC=C(C=C5)Cl 1 3.023 2 4 -3.79804722436578 2967221 CC(C(=O)NC1=CC=CC=C1OC)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.05 2 4 -15.3045693907234 2967215 CC1=CC=C(C=C1)S(=O)(=O)NC2(C(=C(NC2=O)C)C(=O)OC)C(F)(F)F 1 1.475 2 5 0 -11.9043799273486 2967212 CC(=O)C1=CC=CC=C1OCC(CNC2CCCC2)O.Cl Cl- 1 2.047 1 3 -9.05225406768665 2967209 C1COC(=O)C1SC2=NN=NN2C3=CC=C(C=C3)Cl 1 2.188 4 2 -8.90110496570963 2967205 CC(C1CC2CCC1C2)NCC3=CC=C(C=C3)N(C)C.Cl Cl- 1 3.771 2 0 -0.362138251855857 2967200 CC1=C(C=C(C=C1)C(=O)CN(C(=O)C2=CC(=C(C=C2)Cl)Cl)N3C(=O)C4CCCCC4C3=O)C 1 5.475 2 4 -3.49066379474697 2967191 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)NCC2CCCO2 1 1.036 2 4 0 -18.0623246963483 2967187 C1CCC2(CC1)C(CC(=O)O2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCOCC4 1 1.567 2 5 0 -11.7029889819009 2967185 CCOC1=CC=CC(=C1C)N2CCN(CC2)CCNC(=O)NC3=CC=C(C=C3)C 1 4.019 4 2 -2.9841118942143 2967181 CCC(C)C1=CC=CC=C1OCC(=O)NNC(=O)CNC(=O)C2CCCCC2 1 2.879 3 4 0 -12.9219787198968 2967179 C1=CC=C2C(=C1)C=CN2CC(CN3C4=CC=CC=C4N=C3CO)O 1 2.777 3 2 0.398936739198795 2967176 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3CCCO3 1 2.206 2 5 0 -16.5712027764215 2967174 CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCCOC 1 1.92 4 4 0 -8.76241182348715 2967158 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCCC3)OC 1 4.047 5 5 0 -18.9837306916542 2967155 CC1=CC=C(C=C1)C2C(=C(NC(=N2)NC3=NC4=CC=CC=C4O3)C)C(=O)NC5=CC=CC=C5 1 4.384 5 2 0 -10.4322032948355 2967150 CC1=CC=CC=C1CSC2=NN=C(S2)NC(=O)C3COC4=CC=CC=C4O3 1 4.014 3 3 -16.5147861693248 2967148 COC1=C(C=CC(=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N)OCC3=CC=C(C=C3)Cl.Cl Cl- 1 4.192 2 4 -7.02732828723291 2967146 CN(C1CCCCC1)C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-] 1 2.846 3 4 0 -12.087430102093 2967140 CC1(CC(=O)C(CO1)C2(C3=C(C=CC(=C3)Br)N(C2=O)C)O)C 1 1.211 1 4 0 0.131769854315015 2967131 CCOC(=O)C1=CN=C(NC1=O)CC2=CC=CC=C2 1 1.116 2 3 0 -7.74953401303519 2967128 CC(C1=CC=CC=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)SCC(=O)N 1 3.32 6 1 0 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1 1.533 2 5 0 -24.6823132085588 2966907 CC(=O)NC1(C2=C(NC1=O)N(C(=O)NC2=O)CC3=CC=CO3)C(F)(F)F 1 -0.36 4 5 0 -9.22349050281052 2966904 CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCCC3=CC=CC=C3)C(=O)C 1 3.299 3 3 -22.9096152261254 2966902 CCCCN1C(=O)C2CC3=C(CN2C1=S)NC4=CC=CC=C34 1 4.169 3 1 -2.24794375822055 2966876 CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)C 1 4.754 4 2 -14.5657870508025 2966874 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)NC3=CC=CC=C3 1 2.426 3 5 0 -9.55413202424762 2966873 CN(C1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.829 3 3 -13.9252777042694 2966867 CCNC(=O)N1CCNC(=O)C1CC(=O)NC2=CC=C(C=C2)C(=O)OCC 1 2.7e-002 4 5 0 -31.3037500965058 2966861 C1CCC(C1)NCC(COC2=C(C=C(C=C2F)Br)F)O.Cl Cl- 1 3.467 1 2 -0.140413064312874 2966860 CC1=NC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-] 1 3.259 4 3 0 -6.10821543437182 2966848 CCOC1=NN=C(C=C1)OC2=NC(=NC(=N2)N(C)C)NCC(C)C 1 2.931 7 2 0 -9.38694756629119 2966846 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=C(C=C4Cl)F)F 1 4.256 1 1 -4.78241958061204 2966844 COC1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C 1 3.976 2 4 -10.6732388109885 2966801 CC(=O)NC1C2=C(C=CC(=C2)Br)N(C1=O)C 1 0.853 2 2 0 -3.78283173061936 2966836 CC(=O)NC1=CC=C(C=C1)OCC(CNC2CCCC2)O.Cl Cl- 1 1.428 2 3 0 -6.53858719244805 2966834 CC1=NC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 2.03 4 4 0 -7.69730155708459 2966823 CCN(CC1COC2=CC=CC=C2O1)C(=S)NC3=CC=CC=C3 1 4.86 2 2 -10.1094450769659 2966815 C1=CC=C(C=C1)C2=NC(C(=O)N2)(C(F)(F)F)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.353 3 2 -1.20981531266215 2966812 C1CC(N(C1)C(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC3=CC=CC=C3 1 3.025 2 5 0 -11.8562852035797 2966811 CC1=CC(=C(C=C1Cl)S(=O)(=O)NCC2CCCO2)OC 1 2.234 1 4 -8.17508891129793 2966785 CC1=CC=CC=C1CSC2=NC(=O)C3=CC=CC=C3N2 1 4.1 2 1 -11.9363695719581 2966783 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.257 3 3 -12.705637878222 2966777 CN1CCN(CC1)C(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 0.841 3 3 0 -6.34598308530368 2966768 CCC1=CC=C(C=C1)CNCCSC2=NN=NN2C.Cl Cl- 1 2.352 5 0 -12.0764953112584 2966759 COC1=C(C(=CC(=C1)CNCC2=CC=NC=C2)Br)OCC3=CC=CC=C3F.Cl Cl- 1 4.305 2 2 -0.832529125566789 2966758 C1CCN(CC1)C2=NC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)N5CCCCC5 1 3.864 7 1 0 -6.42041862619686 2966748 C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])CCC#N 1 2.87 5 5 0 -9.97427774958685 2966730 CC1=C(C(C(=O)N1)(C(F)(F)F)NC2=NC=CS2)C(=O)OC 1 0.412 3 3 0 -10.8590453195565 2966719 C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 2.64 3 4 0 -7.93758531508573 2966718 COC1=CC(=C(C=C1)NC(=O)C2C3=CC=CC=C3CCO2)OC 1 2.447 1 4 -7.59046043385006 2966701 CC12CCC3C1(CN(C2(C3)C#N)C(=O)C4=CC(=C(C=C4)OC)OC)C 1 2.611 2 3 -7.86590114183108 2966695 CC12CCC3C1(CN(C2(C3)C#N)NC(=O)C4=CC=CC=C4F)C 1 2.358 3 1 -5.74418953038139 2966685 CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(O2)C)C 1 2.613 3 2 -19.8114209745033 2966681 CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)OC34CCCCC4 1 3.736 2 4 -11.1052572955024 2966669 COC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)N)[N+](=O)[O-] 1 0.962 6 4 0 -10.2184772337257 2966663 COC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)OC 1 2.404 5 3 0 -21.1406274075898 2966658 CC(C1=NN=C(N1C)SCCOC2=CC=C(C=C2)OC)NC(=O)C3=CC=CC=C3F 1 3.773 4 3 0 -15.1311480421541 2966657 CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.424 4 5 0 -3.52275403007436 2966655 CSC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)NC3=CC=CC=C3F 1 3.524 4 1 -3.08782565673763 2966652 CCC1=C(N(C(=NC1=O)SCC(=O)NC2=NOC(=C2)C)C3=CC=CC=C3)O 1 3.353 4 4 0 -23.9476297652321 2966650 CCCN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC(=CC=C3)OC)O 1 2.696 1 4 -9.24713807828919 2966635 CC1=CC=C(S1)CNCC2CCCO2.Cl Cl- 1 1.611 1 1 0 1.22485339393346 2966632 COC1=C(C2=CC=CC=C2C=C1)CNCC3=CC=CC=N3.Cl Cl- 1 2.907 2 1 3.32462934600187 2966629 CC1CN=C(S1)NCCC2=CC=CC=C2 1 2.936 2 0 -6.61347999567908 2966628 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.799 3 6 0 -22.002181847165 2966626 C1=CC(=CC(=C1)Br)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)O)CCC#N 1 3.568 4 3 0 -5.44939520296308 2966624 CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC 1 1.858 4 4 0 -8.88307329287569 2966620 CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3C(=O)O 1 3.236 2 5 0 -7.1144783224787 2966619 CCOC(=O)C1=C(N=C(S1)NCC2CCCO2)C 1 1.3 2 3 0 -12.573027456776 2966610 CN1C=CC=C1CNCC2=CC=CC=C2Cl.Cl Cl- 1 2.993 2 0 -0.157460685756271 2966609 CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC3=CC=C(C=C3)N4CCCCC4 1 4.529 2 4 -12.5668069576665 2966585 C1C2CC3CC1CC(C2)(C3)C(=O)NCCC4=CC=NC=C4 1 2.683 2 1 -6.39462895794399 2966583 CCN1C2=C(N=C1OC3=CC=C(C=C3)F)N(C(=O)N(C2=O)C)C 1 2.556 4 3 0 -9.29679727426542 2966580 CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-] 1 3.842 5 4 0 -10.9306513724984 2966579 CCOC(=O)C1=C(N2C(=O)C(SC2=C(C1C3=CC=CC=C3OC)C(=O)OC)C)N 1 2.146 2 6 0 -17.0721187871023 2966559 CC(CNCC1=CC=CC=C1C(F)(F)F)O.Cl Cl- 1 2.148 1 1 2.85474761270506 2966558 CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2CC2)C#N 1 0.403 3 2 0 -14.4883009042678 2966555 C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CNCCC3=CC=C(C=C3)S(=O)(=O)N.Cl Cl- 1 4.293 2 3 -2.79343112476877 2966547 CC1=C(C=CC(=C1)S(=O)(=O)NCC(C)C)OCC(=O)NCC2CCCO2 1 1.821 2 5 0 -19.7422359955756 2966541 CC1=C(C(=NN1)C)C(=O)CC2(C3=C(C=CC(=C3)Br)N(C2=O)CC4=CC=CC=C4)O 1 3.044 3 3 -5.01011463422789 2966525 COC(=O)C(C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2)(C(F)(F)F)O 1 3.974 2 4 -12.3568174832665 2966489 CC(C)N(CC1=NC(=NO1)C2=CC=C(C=C2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4 1 4.692 3 2 3.37304031458773 2966480 C1C2=CC=CC=C2N3C(O1)C45C=CC(O4)C(C5C3=O)C(=O)O 1 0.352 1 5 0 0.962517041338058 2966478 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCC2CCCO2 1 0.308 2 4 0 -15.3747951156738 2966467 CC12CCC3C1(CN(C2(C3)C#N)C(=O)C4=CC=C(C=C4)Cl)C 1 3.309 2 1 -1.40085383811276 2966451 CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)N3CCOCC3 1 1.767 1 5 0 -16.946641290446 2966450 CC(C1=NN=C(N1C)SCCOC2=CC=C(C=C2)OC)NC(=O)CC3=CC=C(C=C3)OC 1 3.586 4 4 0 -15.4048740045832 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C1=CC(=CN=C1)CN2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C3=CC=CS3 1 1.687 4 3 0 -7.41480555289678 2965045 CCC(C)C1=CC=C(C=C1)OCC(=O)NNC(=O)C2CCCCC2 1 3.819 2 3 -7.28503105444959 2964993 CC(C1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)Br)NC(=O)CC3=CC=C(C=C3)OC 1 3.975 4 3 0 -15.2550183855264 2964984 COC1=CC=C(C=C1)C(=O)NC(CO)C2=NN=C(N2CC=C)SCCOC3=CC=C(C=C3)OC 1 3.28 4 5 0 -18.6560400951782 2964983 COC1=CC=C(C=C1)OCCSC2=NN=C(N2CC=C)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl 1 5.277 4 3 0 -18.1404653643314 2964982 CC(C1=NN=C(N1CC=C)SCCOC2=CC=C(C=C2)OC)NC(=O)CC3=CC=C(C=C3)OC 1 4.203 4 4 0 -19.7613514488365 2964970 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC)CCNC(=O)C3=CC=C(C=C3)OC 1 3.017 5 4 0 -23.4132399789316 2964934 CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CS3)C(=O)OC 1 2.974 1 3 -12.676873254214 2964931 CC1=C(NC2=C1C(=O)CC(C2)C3=CC(=CC=C3)OC)C(=O)OC 1 3.215 1 4 -8.5245073792453 2964923 CN(C)C1=CC=C(C=C1)C2CC(=O)NC3=CC(=C(C=C23)OC)OC 1 2.689 2 3 -10.7859984003333 2964919 COC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CSC=C3)OC 1 2.188 1 3 -9.93303102106788 2964899 CN1C(=O)CC(C1=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4 1 2.991 2 2 -5.80553107563635 2964893 CN(CC(=O)N1CCN(CC1)C2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 1.23 4 3 0 -8.11256214495405 2964889 CN(CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2 1 1.461 3 6 0 -12.7450860640693 2964888 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCCCCN2C(=O)CCC2=O)OC 1 1.354 2 7 0 -22.7961089694432 2964886 C1CC(=O)N(C1=O)CCCCCC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.317 2 5 0 -18.2322503601924 2964873 CC1=CC=C(C=C1)SCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 4.981 1 3 -11.2415179100016 2964849 C1CCN(C1)C2=C3C=CC=C(C3=NC=C2)[N+](=O)[O-] 1 2.533 3 2 -1.63608978110092 2964848 CC(C)(C)CNC1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-] 1 3.621 3 2 -2.61897743898994 2964838 C1CCN(C(C1)C2=CN=CC=C2)CCC(=O)NCC3=CC=CC=C3 1 2.59 3 1 -6.9825857537594 2964826 C1COCCN1CCC(=O)NCC2=CC=CC=C2.Cl Cl- 1 0.899 2 2 0 -11.8205497681331 2964825 C1CCN2CCCC(C2C1)COC(=O)C3=CC4=C(C=C3)OCO4.Cl Cl- 1 3.093 1 4 -2.77667522563182 2964823 CCOC1=CC=C(C=C1)C(=O)OC2CC3CCC(C2)N3C.Cl Cl- 1 2.647 1 3 -8.19319604683194 2964820 CC1=C(C=C(C=C1)OC(C)C2=NN=C(S2)N)Cl 1 2.952 3 1 -0.905816273538885 2964818 CC1=C(C=CC(=C1)Cl)OC(C)C2=NN=C(S2)N 1 2.952 3 1 2.7814553603043 2964807 CS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)C4=CC=CO4 1 2.569 3 4 0 -10.0175467472447 2964804 CC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3CCCCC3)C4=CC=C(C=C4)OC 1 4.145 3 2 -5.99847575994422 2964802 COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3OC)C(=O)C4=CC=CS4)OC 1 4.32 2 4 -13.4393775201642 2964794 CCS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4 1 3.225 3 4 0 -10.9520533709974 2964786 CS(=O)(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4 1 3.059 2 4 -5.50293191081146 2964785 C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)NC3=CC=CC(=C3)C(=O)O 1 4.104 2 4 -9.61455795270725 2964782 CN1CC2CCCC3(C1)C2=NC4(CCCCC4)NC3=O 1 1.802 3 1 0 4.35409310301267 2964781 COC(=O)C1=CC(=CC=C1)OCC(CN2C=CN=C2)O 1 0.9 2 4 0 -3.29860346143166 2964778 CC(=O)NC1=CC=C(C=C1)OCC(CN2C=CN=C2)O 1 0.164 3 3 0 -2.78709679889844 2964777 CC(=O)NC1=CC=C(C=C1)OCC(CN2C=NC3=CC=CC=C32)O 1 1.793 3 3 0 -5.90740450680282 2964773 CC1CN(CC(O1)C)C2=C(N=C(O2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=C(C=C4)C 1 4.715 2 4 -10.7668528173584 2964769 C1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CS3)NCCCN4C=CN=C4 1 2.984 4 3 0 -8.73071335755114 2964768 C1CC(OC1)CNC2=C(N=C(O2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4 1 3.539 2 4 -14.8127249234169 2964766 C1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CO3)NCCCN4C=CN=C4 1 2.426 4 4 0 -7.18106265663016 2964764 CC1CN(CC(O1)C)C2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 3.418 2 5 0 -13.5294495718321 2964749 CN1CCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br 1 4.286 3 3 -2.92475783371836 2964747 C1COCCN1CCNC2=C(N=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br 1 3.802 3 4 0 -7.0877796785032 2964741 C1COCCN1C2=C(N=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F 1 3.474 2 4 -7.14671127246492 2964737 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C(=O)NC3=O)[N+](=O)[O-] 1 1.524 3 6 0 -9.02457738118179 2964736 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=C(O3)C(=CC=C4)OC)C5=CC=CS5 1 3.526 2 6 0 -17.6356752903071 2964724 CC1=C(C(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)C)N(C)S(=O)(=O)C4=CC=CC=C4 1 4.153 3 4 0 -12.8846965587721 2964723 CN(C1=C(C=CC(=C1)S(=O)(=O)N)OC)S(=O)(=O)C2=CC=CC=C2 1 1.212 2 5 0 -10.2950291144047 2964701 CCCCC(C(=O)O)SCC(=O)NC1=CC=CC=C1 1 2.833 1 3 -11.7624522332113 2964664 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3C(=CC(=N3)C)C 1 1.936 3 3 0 -7.79577748740576 2964663 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3C(=CC(=N3)C)C 1 2.09 3 2 -6.8048847208874 2964652 CC1=CC(=C(C=C1)C)NC(=O)CSC2=C(NN=C2C)C 1 2.852 3 1 -7.45807960081908 2964643 CCCCC1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 4.182 3 3 -10.7909048040376 2964640 CC1=C(OC2=C1C=C(C=C2)F)C(=O)N(CC3=CC=C(C=C3)OC)C4CCS(=O)(=O)C4 1 3.605 1 5 0.468190884820003 2964618 CCCCC1CCC(CC1)C(=O)NC2CCS(=O)(=O)C2 1 2.628 1 3 -16.2895185886119 2964592 CCC(C)CN1C2=CC=CC=C2N=C1S(=O)(=O)O 1 3.073 2 3 -5.86187401382052 2964588 COC1=CC(=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5)OC 1 4.711 1 3 -1.99384054143099 2964585 C1CSC(=N1)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=NCCS5 1 2.986 4 2 -10.3425641957135 2964583 CC(CC12CC3CC(C1)CC(C3)C2)NCC4=CC=CC=C4O.Cl Cl- 1 4.299 1 1 9.63120197277232 2964580 CCOC1=CC=CC=C1N(CC(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)SC 1 2.351 2 5 0 -16.6791261951869 2964566 C1CCC(=CC1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.295 2 3 -21.433040954669 2964562 CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 1.91 2 3 0 -13.1230937078472 2964554 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.447 3 5 0 -15.4929978501965 2964538 CC(C(=O)NC1=C(C=CC(=C1)OC)OC)N2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.689 2 5 0 -9.15539770072749 2964529 CC1=C(C(=CC=C1)C)OCC(=O)NCC2CCCO2 1 2.204 1 3 -15.2923970458162 2964527 CC1CCCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 3.689 2 3 -11.7753891738359 2964508 CC1=CC(=CC(=C1)N(C(C)C(=O)N2CCCCC2)S(=O)(=O)C)C 1 2.586 2 3 -9.70722100109017 2964504 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3Cl 1 3.208 2 3 -9.74343565248206 2964501 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCCC3 1 3 2 4 -9.63592000678275 2964497 CC(C(=O)NC)NS(=O)(=O)C1=CC=C(C=C1)F 1 0.49 2 3 0 -13.0524828823462 2964495 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3CCCO3 1 2.692 2 5 0 -16.2778214525661 2964492 C1CCC(CC1)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)NCC4CCCO4 1 3.614 2 3 -19.1383380087261 2964491 CC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.284 2 4 -12.9529886904646 2964488 CC(C)CCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F 1 2.548 2 3 -22.5392113938135 2964486 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCCCCC3 1 2.668 2 3 -13.956424284314 2964484 CCCCCCN1CC(C(=O)C1=O)C(=O)OCC 1 1.811 1 4 0 -9.67916386008326 2964479 CC(C)OC1=CC=C(C=C1)C(CC(=O)NCC2=CC=CO2)C3=CC=CC=C3 1 4.288 1 3 -14.841779972746 2964475 CC(C)OC1=CC=C(C=C1)C(CCNCC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3OC 1 5.673 1 4 -8.6900726654562 2964472 C1CCN(CC1)C(=O)CC(C2=CC=CC=C2)C3=CC=CO3 1 3.12 1 2 -11.9308162162911 2964469 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(C3=CC=C(C=C3)F)C4=CC=CO4 1 3.897 1 3 -5.36258769903309 2964466 C1C(CN(C1=O)C2=CC=CC=C2Cl)C(=O)NC3=NC=CS3 1 1.547 3 2 0 -5.42592985802459 2964461 CC1CCC(CC1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 3.084 2 2 -10.3033389734762 2964460 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 1.671 3 3 0 -5.93287994510903 2964458 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NC=CS3 1 1.215 3 3 0 -9.54131578085949 2964454 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)O 1 1.848 2 5 0 -9.13021092988157 2964445 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NOC(=C3)C 1 1.357 3 4 0 -14.8152925855658 2964434 CCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC(=CC(=C3)C)C 1 3.191 2 3 -5.67113236228253 2964418 COC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C(=O)O 1 1.499 2 5 0 -8.02924277566495 2964408 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CC=C3 1 1.876 2 3 0 -13.0449524328945 2964401 COC1=C(C=C(C=C1)Cl)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 2.739 2 3 -3.59634841799279 2964399 C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CO3 1 1.28 2 3 0 -13.2587809680481 2964392 CC1=CC(=C(C=C1)C)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)OC 1 2.842 2 3 -4.30879506211196 2964388 CC1=CC(=C(C=C1)C)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC 1 2.714 2 4 -6.98100561833989 2964374 COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)NC3=NC=CS3 1 1.531 3 3 0 -5.16072653933091 2964358 COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3CCCCC3 1 2.151 2 3 -9.60123201732711 2964350 COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)F 1 2.075 2 3 -3.57268737285395 2964346 COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 1.791 3 4 0 -8.12682720807654 2964345 CC1=C(C(=CC=C1)C)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)OC 1 2.842 2 3 -7.39329605963869 2964341 CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)OC 1 2.451 2 5 0 -10.7092423800431 2964340 CC1=CC(=NO1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 1.024 3 3 0 -13.8974064198559 2964338 COC1=CC(=C(C=C1)OC)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 1.853 2 4 0 -6.84964967616367 2964337 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl 1 3.215 2 2 -2.28365872610877 2964336 CC1CCC(CC1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)C 1 2.905 2 2 -12.125337664063 2964327 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)O 1 1.523 2 4 0 -10.1049137222121 2964324 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NNC(=O)C3=CC=C(C=C3)Br 1 1.898 3 3 0 -13.4007196291446 2964323 CC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 1.633 2 3 0 -11.8164796050825 2964317 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC=CS3)Cl 1 2.034 3 2 -6.75456854290542 2964309 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CO3)Cl 1 2.225 2 3 -13.7838330697581 2964306 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCC3CCCO3)Cl 1 1.819 2 3 0 -15.6931254211223 2964283 CCC(C(=O)NC(C1=CC=CC=C1)C(=O)OC)SC2=NC(=O)C=C(N2)N 1 1.728 4 4 0 -25.0955877477478 2964282 CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C34CC5CC(C3)CC(C5)C4 1 3.676 1 3 -7.98185827882791 2964281 CC(C1=C(C=CC(=C1)OC)OC)NC(=O)C23CC4CC(C2)CC(C4)C3 1 3.857 1 3 -8.35233922145312 2964280 CC(C1=CC(=C(C=C1)OC)OC)NC(=O)C23CC4CC(C2)CC(C4)C3 1 3.857 1 3 -9.33651529578601 2964279 CC(C1=CC=C(C=C1)OC)NC(=O)C23CC4CC(C2)CC(C4)C3 1 3.873 1 2 -5.32250274185005 2964275 CC1=CC=C(C=C1)C(C)NC(=O)C23CC4CC(C2)CC(C4)C3 1 4.376 1 1 -4.90953653270591 2964272 C1=CC=C2C(=C1)N=C(N2CCCOC3=CC=C(C=C3)Br)CO 1 3.583 2 2 1.82826298939066 2964268 CCC1(CC2=CC=CC=C2C(=C1C#N)N)CC 1 2.911 2 0 -4.56603922103702 2964264 CC(C)CC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCC2 1 3.631 4 3 0 -9.33028254899691 2964260 CC(C1=CC2=C(CCCC2)C=C1)NC(=O)C3=CC=CC4=CC=CC=C43 1 5.42 1 1 -7.19914210609004 2964203 C1CNCCC1CNC(=O)C2=CC=NC=C2.Cl Cl- 1 4.e-002 3 1 0 -12.3010157319991 2964204 C1CC(OC1)CNC(=O)C2=CC=CC=N2 1 0.674 2 2 0 -13.9557776543554 2964205 C1CC(OC1)CNC(=O)C2=CC3=CC=CC=C3N2 1 1.981 2 2 0 -5.02034957550828 2964209 CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O)C 1 2.63 4 4 0 -17.5852135164649 2964212 CN(CC(=O)N1CCN(CC1)C2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 1.809 3 5 0 -7.29734569161681 2964249 CC(C1=CC2=CC=CC=C2C=C1)NC(=O)CC3=CC=C(C=C3)OC 1 3.925 1 2 -5.91039584964875 2964248 C1COCCN1C2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)Br 1 2.601 3 2 -4.52706260636135 2964245 C1COCCN1C2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C(F)(F)F 1 2.795 3 2 -1.29663466451444 2964244 COC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)N3CCCC3 1 2.61 3 2 -3.36181312411003 2964243 CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(N=CC=C2)N3CCCC3)OCC 1 3.619 3 3 -11.3061757189012 2964241 C1CCN(C1)C2=C(C=CC=N2)C(=O)NC3=CC=CC=C3 1 2.626 3 1 -3.20289527986402 2964240 C1CCN(C1)C2=C(C=CC=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.568 3 1 1.31957144813407 2964239 C1CCN(CC1)C2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)Br 1 3.83 3 1 -2.93797648364859 2964238 C1CCN(CC1)C2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)Cl 1 3.746 3 1 -1.48131673854715 2964237 C1CCN(CC1)C2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)F 1 3.288 3 1 -2.59143840366871 2964236 COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)NCC3=CC=CC=C3 1 3.543 3 2 -9.26325189884514 2964194 COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5 1 2.504 5 5 0 -22.604226962668 2964189 C1CC2CN(CCN2C1)C(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5 1 2.792 5 1 -3.93755197433513 2964177 C1CN(CCN1C2=CC=CC=N2)C(=O)CCSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 4.358 5 2 0 -2.83677546526131 2964168 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCCCC3 1 3.302 4 3 0 -18.6947439500357 2964163 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C 1 2.482 3 3 -10.5167295877453 2964158 CNCC1=C(C=CC2=CC=CC=C21)OCC3=CC=CC=C3.Cl Cl- 1 3.843 1 1 1.60365045557119 2964155 C1=CC(=CC(=C1)O)C(CNCC2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)O.Cl Cl- 1 5.094 1 3 5.15625193153696 2964137 CCOC1=C(C=CC(=C1)CNCC2=CC=CS2)OCC(=O)NC(C)(C)C.Cl Cl- 1 2.998 2 3 -15.8206175698385 2964136 CC(C)(C)NC(=O)COC1=CC=C(C=C1)CNCC2=CC=CS2.Cl Cl- 1 2.665 2 2 -10.7168319056182 2964135 COC1=C(C=CC(=C1)CNCC2=CC=CS2)OCC(=O)N.Cl Cl- 1 1.512 2 3 0 -9.33859774829416 2964134 COC1=C(C=CC(=C1)CNCC2=CC=CS2)OCC3=CC=CC=C3.Cl Cl- 1 4.241 1 2 -4.7767509810723 2964128 CCOC1=C(C(=CC(=C1)CNCC2CCCO2)Br)OCC(=O)N.Cl Cl- 1 1.644 2 4 0 -11.712950657227 2964126 C1CC(OC1)CNCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3F.Cl Cl- 1 4.247 1 2 -1.36960104955536 2964122 C1CC(OC1)CNCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3.Cl Cl- 1 4.042 1 2 -1.08117757486133 2964113 C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CNCCCCO.Cl Cl- 1 3.786 1 2 1.61385696019324 2964111 COC1=C(C=CC(=C1)CNCCCCO)OCC2=CC=CC=C2F.Cl Cl- 1 3.226 1 3 -4.6195551130076 2964109 C=CCOC1=CC=CC(=C1)CNCC2=CN=CC=C2.Cl Cl- 1 2.4 2 1 -6.32700186108044 2964108 CCOC1=C(C=CC(=C1)CNCC2=CN=CC=C2)OCC(=O)NC(C)(C)C.Cl Cl- 1 2.107 3 3 -16.5011626475638 2964104 COC1=C(C=CC(=C1)CNCC2=CC=CS2)OCC3=CC=CS3.Cl Cl- 1 3.981 1 2 -5.3594383397529 2964098 CNCC1=C(C=CC2=CC=CC=C21)OCC3=CC=CC=C3F.Cl Cl- 1 4.048 1 1 1.54272173748379 2964094 CCCN1C(=NN=N1)NCC2=CC=C(C=C2)C(C)C 1 2.668 5 0 -16.1504417472252 2964093 CCCN1C(=NN=N1)NCC2=C(C=CC=C2Cl)F 1 2.344 5 0 -18.2506118824297 2964092 CCCN1C(=NN=N1)NCC2=C(C=CC=C2Cl)Cl 1 2.803 5 0 -17.2525738157654 2964004 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CCCO3)OC 1 1.455 2 5 0 -21.3155299523662 2964002 C1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)Cl 1 4.142 3 4 0 -11.3754490556345 2964001 CN1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)NC3CCCCC3)Cl 1 2.47 3 4 0 -12.6270870140431 2963999 COC1=C(C=C(C=C1)CCNC(=O)COC2=C(C=C(C=C2)S(=O)(=O)NC3CCCCC3)Cl)OC 1 4.179 2 6 0 -20.5727238185599 2963995 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CCCO3)Cl 1 1.633 2 5 0 -23.750521293209 2963993 COC1=C(C=C(C=C1)S(=O)(=O)NCC2CCCO2)Cl 1 1.747 1 4 0 -10.789541743315 2963991 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 1.009 3 7 0 -16.558523097911 2963986 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CCCO3 1 0.953 2 6 0 -21.8687880382601 2963984 COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 2.161 2 6 0 -18.3647500232459 2963983 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 2.385 2 5 0 -15.7444221292099 2963981 CC(C(=O)NC1=CC(=CC=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)Br 1 2.593 2 4 -12.9644494617756 2963973 CC(C(=O)NCC1=CC=CC=C1OC)NS(=O)(=O)C2=CC=CC=C2 1 1.852 2 4 0 -18.0061538139288 2963971 CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)NS(=O)(=O)C2=CC=CC=C2 1 2.509 2 4 -15.004352089457 2963970 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=CC=C3 1 1.647 2 5 0 -18.571407950871 2963966 CC(C(=O)NC1=CC=CC=C1OC)NS(=O)(=O)C2=CC=CC=C2 1 1.845 2 4 0 -17.0808690524372 2963960 CC(C(=O)NCC1=CC=CO1)NS(=O)(=O)C2=CC=CC=C2 1 1.05 2 4 0 -17.5613976777736 2963958 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)NCC2CCCO2 1 0.693 2 4 0 -20.821952101399 2963841 CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-] 1 2.62 4 5 0 -13.0442163245417 2963825 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-] 1 4.214 4 3 0 -4.56918590103363 2963812 CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-] 1 3.425 7 4 0 -17.3049612281153 2963810 CCCCN1N=C(N=N1)NC(=O)CC23CC4CC(C2)CC(C4)C3 1 3.445 5 1 -11.3484326170629 2963805 C1=CC2=C(C=CC=N2)C(=C1)NC(=S)NC(=O)C3=CC=CS3 1 3.905 3 1 -9.76268959681755 2963793 C1=CC2=C(C=CC=N2)C(=C1)NC(=S)NC(=O)C3=CC=CO3 1 3.347 3 2 -8.7716892724381 2963792 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.83 5 5 0 -23.1979306714268 2963778 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)Cl 1 2.842 3 3 -15.1023248856067 2963777 C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl 1 5.38 3 2 -4.68956325117111 2963773 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)CC3=CC=C(C=C3)Cl 1 3.5 2 1 -4.63235313893344 2963772 CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC=CS3 1 3.7 3 1 -3.91279000841496 2963764 C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CC=N5 1 3.727 2 1 -7.34594068491218 2963750 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)OC)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-] 1 4.279 4 6 0 -0.982045588601072 2963714 CCC(=O)NC1=C(C=CC(=C1)C2=CC3=CC=CC=C3OC2=O)OC 1 3.149 1 4 -3.7003538074969 2963713 CCC(=O)NC1=CC=CC2=C1N=CC=C2 1 1.803 2 1 0 -6.08520010011873 2963709 CCC(=O)NC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C 1 0.787 3 3 0 -15.9116620140447 2963680 CCOC(=O)C1(CSC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N21)O 1 2.157 2 6 0 -13.0376111023572 2963679 C1CC(OC1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.201 2 5 0 -27.6720389663758 2963677 CC1=C(C=C(C=C1)C(=O)NC2CCS(=O)(=O)C2)S(=O)(=O)N3CCCC3 1 0.609 2 5 0 -25.8723700790655 2963675 CC1=C(C=C(C=C1)C(=O)NC2CCS(=O)(=O)C2)S(=O)(=O)N3CCCCCC3 1 1.522 2 5 0 -26.2268385932335 2963673 C1C(SC(=NC1=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)F 1 5.73 2 1 -2.42372408984519 2963668 CC1=C(C=C(C=C1)C(=O)NC2CCS(=O)(=O)C2)S(=O)(=O)N3CCCCC3 1 1.066 2 5 0 -26.2268385932335 2963666 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.143 3 4 0 -10.8944636993388 2963653 CC(C)(C)CC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])OC 1 3.561 3 4 0 -14.2994235383518 2963651 CC(C)(C)CC(=O)NC(=S)NC1=CC=CC=C1[N+](=O)[O-] 1 3.577 3 3 -11.2129608585914 2963649 CC(C)(C)CC(=O)NC(=S)N1CCCCCC1 1 3.737 2 1 -13.3908326057944 2963625 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=NN=C(N4CC5=CC=CO5)CC6=CC=CS6 1 5.285 4 4 0 -24.7229779035143 2963624 C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C#N)CC4=CC=CS4 1 4.624 4 1 -15.2531431988154 2963617 CC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=CO4 1 4.681 3 2 -7.47573161948598 2963610 C1CCOC(C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC=CN=C4 1 2.927 5 1 -11.8130342120983 2963575 CC1=CC=CN2C1=NC(=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 3.037 3 2 -12.0126208679544 2963574 CC1=CC=CN2C1=NC(=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.808 3 3 0 -13.9708035894041 2963573 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CN4C=CC=NC4=N3 1 1.925 4 4 0 -15.4183176549811 2963572 CCOC(=O)C1=C(NC2=C(C1C3=CN=CC=C3)C(=O)C4=CC=CC=C42)C 1 2.023 2 3 -24.1666505422776 2963570 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2(CCS(=O)(=O)C2)C 1 1.145 1 4 0 -7.44079978969646 2963569 CC1(CCS(=O)(=O)C1)N(C)C(=O)C23CC4CC(C2)CC(C4)C3 1 1.847 1 3 0 -6.01698354930954 2963568 CC1(CCS(=O)(=O)C1)N(C)C(=O)C2=CC=CC=C2 1 0.956 1 3 0 -8.70231348881135 2963563 CCOC1=C(C2=C(C=C1)C(=C(C(=O)O2)C)C)OCC 1 3.457 0 4 -5.81233838135851 2963560 COC1=C(C2=C(C=C1)C3=C(CCCC3)C(=O)O2)OCC(=O)N 1 2.154 1 5 -11.9739043515505 2963533 COC1=CC=C(C=C1)N(C(=O)C2=CC=CO2)S(=O)(=O)C3=CC(=C(C=C3Cl)Cl)Cl 1 5.344 1 5 -2.87951612196907 2963532 COC1=CC=C(C=C1)N(C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 3.245 2 7 0 -9.50679884506626 2963530 CC(C)C(=O)N(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 3.315 2 6 0 -7.4442647614856 2963529 COC1=CC=C(C=C1)N(C(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.699 3 6 0 -10.9128771354681 2963528 COC1=CC=C(C=C1)N(C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.699 3 6 0 -11.7586645158167 2963525 COC1=CC=C(C=C1)N(C(=O)C2=CN=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 2.772 2 6 0 -9.21745262058454 2963518 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=NC=C3 1 1.042 3 3 0 -18.0456009837713 2963517 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)N)N3CCOCC3 1 1.404 3 4 0 -0.753333829841948 2963513 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C 1 1.429 2 3 0 -14.9039392217143 2963512 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=NC=C2 1 1.943 3 3 0 -15.5774164930953 2963508 CC1CN(CC(O1)C)C2=C(N=C(O2)COC3=C(C=C(C=C3)Cl)Cl)C#N 1 3.853 3 3 -8.27838066194529 2963505 CCCOC1=CC=C(C=C1)C2=NC(=C(O2)NCC3CCCO3)C#N 1 3.107 3 3 -4.06561365864075 2963502 CC1CN(CC(O1)C)C2=C(N=C(O2)C3=CC(=C(C=C3)OC)OC)C#N 1 2.656 3 4 0 -8.19999545353009 2963499 CC1CC(CN(C1)C2=C(N=C(O2)C3=CC=CC=C3OC)C#N)C 1 3.785 3 2 -6.00503417456545 2963490 CC1CC(CN(C1)C2=C(N=C(O2)C3=CC=CO3)C#N)C 1 3.197 3 2 -6.47522065052196 2963487 CC1CN(CC(O1)C)C(=S)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 3.27 3 4 0 -18.2810019234956 2963486 CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2CCCO2)[N+](=O)[O-] 1 2.651 3 4 0 -17.6853221755991 2963484 CC1CN(CC(O1)C)C(=S)NC(=O)C2=CC(=C(C=C2)OC)OC 1 2.857 2 4 -19.5173325191347 2963473 CC1=CC(=CC=C1)NC(=O)CC2C(=O)NC3=CC=CC4=C3C(=CC=C4)N2 1 2.859 3 2 -9.1923311496181 2963471 C1=CC2=C3C(=C1)NC(C(=O)NC3=CC=C2)CC(=O)NC4=CC=C(C=C4)F 1 2.578 3 2 -9.94433254330255 2963469 CC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC4=C3C(=CC=C4)N2 1 2.113 3 3 -14.3708920995645 2963467 COC1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC4=C3C(=CC=C4)N2 1 2.357 3 3 -11.0691757779119 2963466 C1=CC2=C3C(=C1)NC(C(=O)NC3=CC=C2)CC(=O)N 1 0.59 3 2 0 -10.2367433822937 2963462 C1CCN(CC1)C2=CC=C(C=C2)N3C(=O)CC(C3=O)NNC4=CC=CC=C4 1 3.086 4 2 -3.34241541911156 2963459 CCC1=CC(=C(S1)NC(=O)C2CC(=O)NN2CC3=CC=CC=C3)C(=O)OC 1 1.831 3 4 0 -11.5648913302346 2963440 CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CO4 1 2.574 4 4 0 -15.1181499609154 2963439 CCN1C(=NN=C1SCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC)C5=CC=CS5 1 4.834 4 3 0 -20.8467562602919 2963437 CCOC(=O)C1C2CC(NC1=O)(OC3=C2C=C(C=C3)OC)C 1 1.215 1 5 0 -12.9523534099369 2963435 CC(=O)C1C2C3CCCCC3(NC1=O)OC4=CC=CC=C24 1 1.944 1 3 0 -9.81523192225474 2963429 C1COCCN1CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4 1 2.245 3 2 -10.266154279079 2963428 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)S(=O)(=O)C 1 0.917 5 4 0 -3.52738907165069 2963427 CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC4=NC=CN=C4C=C3 1 1.127 5 3 0 -7.48340836760602 2963423 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C 1 1.221 3 6 0 -7.42256720739733 2963407 CS(=O)(=O)N1C(CC(=N1)C2=CC3=NC=CN=C3C=C2)C4=CC=CC=C4 1 2.006 4 2 -2.72546640654825 2963406 C1C(N(N=C1C2=CC3=NC=CN=C3C=C2)C(=O)C4=CC=CO4)C5=CC=CC=C5 1 3.275 4 2 -4.15703181325661 2963405 CC(=O)N1C(CC(=N1)C2=CC3=NC=CN=C3C=C2)C4=CC=CC=C4 1 2.216 4 1 -3.98809794088022 2963402 CCOC1=CC=CC=C1C2CC(=NN2S(=O)(=O)C)C3=CC=CS3 1 2.828 2 3 -8.17082401418493 2963399 CC1=CC=CC=C1C2CC(=NN2S(=O)(=O)C)C3=CC=CS3 1 2.982 2 2 -6.26951220514672 2963394 CCS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)C 1 1.858 3 3 0 -9.80831552137588 2963391 CCS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)C)C(=O)C4=CC=CO4 1 3.557 3 4 0 -9.18773458298264 2963373 CCC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)C 1 2.982 2 2 -9.55316595932119 2963372 COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)C4=CC=CO4 1 3.083 2 4 -7.10761180436758 2963371 COC1=CC=CC(=C1OC)C2CC(=NN2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.086 2 4 -12.5220290402467 2963324 CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=NC=C4 1 2.898 6 0 -6.11822341699476 2963356 C1CS(=O)(=O)CC1NC(=O)NC2=CC(=CC=C2)Cl 1 1.118 2 3 0 -9.85482896523689 2963355 CC1=CC=CC=C1NC(=O)NC2CCS(=O)(=O)C2 1 0.94 2 3 0 -16.2956298228637 2963354 C1C2C=CC1C3C2C(=O)N(C3=O)NC(=O)C(C4=CC=CC=C4)O 1 0.326 2 4 0 -6.58270669759108 2963350 C1C2C=CC1C3C2C(=O)N(C3=O)NC(=O)CCC4=CC=CC=C4 1 1.435 2 3 0 -5.99205867227042 2963348 C1=CC=C(C=C1)CCC(=O)NN2C(=O)C3C4C=CC(C3C2=O)O4 1 0.592 2 4 0 0.379367554252514 2963346 CC(=O)C1=CC=CC=C1OCC(CN2C=CN=C2)O 1 0.784 2 3 0 -4.95955096871986 2963342 COC1=CC(=CC(=C1)OCC(CN2C=C(N=C2)C3=CC=CC=C3)O)OC 1 2.958 2 4 0.966845169292646 2963341 COC1=CC(=CC(=C1)OCC(CN2C=CN=C2)O)OC 1 1.011 2 4 0 0.248760866887426 2963335 C1CS(=O)(=O)CC1NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 0.348 3 5 0 -14.6597179563874 2963309 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.481 3 7 0 -11.4755014668841 2963308 C1CC(OC1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.189 2 4 0 -16.7627626879081 2963307 COCCSC1=NN=C(S1)NC(=O)C2CCCO2 1 0.709 3 3 0 -23.8679001650148 2963306 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 1.983 2 4 0 -16.4633633800591 2963304 CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCO3 1 2.395 2 2 -10.5094780803831 2963303 CCCC(C)C1=NN=C(S1)NC(=O)C2CCCO2 1 2.059 3 2 -19.5223774236911 2963291 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3 1 2.278 2 4 -15.3569235499593 2963286 CCCC(C)C1=NN=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.275 4 3 0 -14.2283662528298 2963282 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCCO2)OC3=CC=CC=C3 1 2.204 2 5 0 -17.8167303771357 2963273 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4 1 3.632 2 3 -8.68415883643833 2963262 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)Br 1 2.667 2 4 -13.9603779131322 2963258 CCCCC(CC)C(=O)N1CCN(CC1)C(=O)C2=CC=CO2 1 2.81 2 3 -9.21508218902856 2963256 CCCC(C)C1=NN=C(S1)NC(=O)C(=O)OCC 1 2.076 3 3 -10.4792466577646 2963240 COCCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 1.902 4 6 0 -21.0022246095942 2963236 CCCC(C)C1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC 1 3.14 4 5 0 -17.0216923313083 2963232 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3)OCC 1 2.549 2 6 0 -20.0018483818946 2963221 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 2.443 3 6 0 -12.8079023905062 2963217 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3 1 1.594 2 5 0 -11.2874235639659 2963213 CCCC(C)C1=NN=C(S1)NS(=O)(=O)C 1 1.517 3 2 0 -10.2101943935516 2963212 COCCSC1=NN=C(S1)NS(=O)(=O)C2=CC=CC=C2 1 1.744 3 3 0 -14.3162875617515 2963203 COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3 1 1.903 2 5 0 -14.7386830677617 2963200 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3 1 2.265 3 6 0 -15.4174446175167 2963196 COCCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.935 4 4 0 -17.9678157695772 2963194 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 1.884 2 4 0 -14.5652162683261 2963192 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.278 3 4 0 -11.6845071888762 2963191 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCCOC 1 1.798 4 3 0 -16.7670008945277 2963189 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4CCCO4 1 1.642 3 5 0 -14.2898902093503 2963186 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=C(C=CC=C3Cl)F 1 2.789 2 4 -16.5885334039517 2963180 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4 1 2.158 2 4 -8.96683161777291 2963176 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 1.95 3 4 0 -18.5494087036528 2963173 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.177 3 5 0 -20.8620599392706 2963172 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)C 1 2.17 3 5 0 -17.8374040303312 2963171 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 1.857 4 4 0 -10.6226691263123 2963169 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC(C)CCC3=CC=CC=C3 1 3.534 2 2 -11.1355042349577 2963166 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.31 3 4 0 -8.21606811431738 2963165 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C 1 2.524 3 4 0 -9.12713630318255 2963164 CCOC(=O)C1CCCN(C1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)C 1 1.813 2 4 0 -15.4594978270748 2963163 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NOC(=C3)C 1 1.511 3 3 0 -13.8243998190474 2963161 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.405 3 4 0 -17.7448206285095 2963160 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)C 1 1.107 4 2 0 -12.264444714122 2963159 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC(=N4)C 1 1.885 5 4 0 -13.635318976759 2963154 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC=C(S3)[N+](=O)[O-] 1 1.388 4 4 0 -3.30093685742003 2963152 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCCC4=CC=CC=C43 1 3.109 2 2 -12.8851377193389 2963151 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)NC(=O)C 1 1.492 3 3 0 -7.58230509809164 2963150 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC4=CC=CC=C4C3 1 2.659 2 2 -14.2484875180545 2963149 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCCCCC3 1 2.375 2 2 -11.0434734731675 2963148 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC4=CC=CC=C43 1 2.653 2 2 -14.4145080462472 2963146 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=NC=C3 1 1.221 3 2 0 -4.98225124528285 2963144 CCOC(=O)C1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)C 1 1.678 2 4 0 -14.3910205369918 2963142 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CN=CC=C3 1 1.228 3 2 0 -14.3400607193801 2963140 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCN3CCOCC3 1 0.622 3 3 0 -15.0664704097218 2963134 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CC=N3 1 1.443 3 2 0 -14.0219249124185 2963133 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.631 3 2 -7.20940458911823 2963128 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC=C2SCCOC 1 2.466 1 4 -15.6655262331176 2963127 COCCSC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC 1 2.903 2 5 0 -14.9431391393982 2963125 COCCSC1=CC=CC=C1C(=O)NCCCN2C=CN=C2 1 1.253 3 2 0 -11.5541126476446 2963122 CC1CCCN(C1)C(=O)C2=CC=CC=C2SCCOC 1 2.891 1 2 -12.0771089256832 2963121 COCCSC1=CC=CC=C1C(=O)NCC2CCCO2 1 1.807 1 3 0 -17.3352404161328 2963116 CCOC(=O)C1CCCN(C1)C(=O)CC2=C(C=CC=C2Cl)F 1 2.959 1 3 -14.5109791562161 2963114 C1=CC(=C(C(=C1)Cl)CC(=O)NC2=NC=C(S2)[N+](=O)[O-])F 1 2.535 3 3 -5.11768346119665 2963113 C1=CC(=C(C(=C1)Cl)CC(=O)NCCCN2C=CN=C2)F 1 1.746 3 1 0 -9.77296699878151 2963110 C1CC(OC1)CNC(=O)CC2=C(C=CC=C2Cl)F 1 2.301 1 2 -15.4656274788135 2963097 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)N2CCCC(C2)C(=O)OCC 1 3.217 2 4 -15.6819150948945 2963095 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)C 1 2.511 4 2 -17.2873015933608 2963091 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 3.654 3 5 0 -12.7322638859146 2963021 CCOC(=O)C(C)SC1=NC2=C(C3=CC=CC=C3N2C)N=N1 1 3.513 4 2 -11.9877275096315 2963029 C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=CC5=NON=C5C=C4 1 4.743 6 1 0 -11.8360570528284 2963033 CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=CC5=NON=C5C=C4 1 4.126 6 1 0 -9.80027332687971 2963035 CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=C(NC(=O)N4)C(=O)CCCCC(=O)OCC 1 3.712 6 4 0 -25.2253988348554 2963037 C1=CC=C(C=C1)CCN2C3=CC=CC=C3C4=C2N=C(N=N4)SCC5=CC6=NON=C6C=C5 1 6.031 6 1 0 -11.9433716486322 2963042 CC1=CC=C(C=C1)S(=O)(=O)C(C)C(=O)C2=CC3=C(C=C2)OCCO3 1 3.368 0 5 -7.48553430949438 2963071 C1CCN(C1)C(=O)CC(C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)O 1 3.902 1 2 -3.89573833541139 2963070 CCCCCOC1=CC=C(C=C1)C(=O)NCC2(CCOCC2)C3=CC=CC=C3 1 4.531 1 3 -19.6008098652698 2963066 C1COCCN1CCCNC(=O)CC(C2=CC=CC=C2)C3=C(C=CC(=C3)Br)O 1 3.208 2 3 -9.61148850626986 2963062 C1C(C(=O)NN=C1C2=CC=C(C=C2)Cl)C3=CNC4=CC=CC=C43 1 3.502 3 1 -3.88994488801719 2963060 C1C(C(OC1=O)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)O)C(=O)O 1 1.751 1 6 0 -2.0224479319829 2963051 CCC(C1C(C(=O)OC1(C)C)C(=O)OCC)C(=O)C2=CC=CC=C2 1 3.23 0 5 -8.71619853815498 2963050 CCOC(=O)C1C(C(OC1=O)(C)C)C(C)C(=O)C2=C(C=C(C=C2)C)C 1 3.746 0 5 -5.05059156029803 2963046 CN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 0.997 5 4 0 -20.5561156801659 2963015 C1=CC=C(C=C1)C2=CN=C(N=N2)SCC(=O)NCC3=CC=CO3 1 2.418 4 2 -11.6638755430642 2963012 CCOC(=O)CSC1=NC=C(N=N1)C2=CC=CC=C2 1 2.649 3 2 -7.15773021038036 2962999 CCN1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(C(C3)C)C(=O)OCC)[N+](=O)[O-])F 1 3.146 5 4 0 -7.30251781354078 2962989 CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NCC3CCCO3)OC 1 2.418 2 5 0 -24.5431552772934 2962986 C1CCC(=C2C3C=CC2C4C3C(=O)N(C4=O)CC5=CC=CC=C5)CC1 1 3.595 1 2 -3.114849980746 2962980 CC1CCCC(N1C(=O)CSC2=NC(=O)C(=C(N2)N)C3=CC=CC=C3)C 1 2.651 4 2 -13.9585246349596 2962964 CC1=CC(=CC(=C1)N(C(C)C(=O)NC2CCCC2)S(=O)(=O)C)C 1 2.865 2 3 -10.6714141117114 2962961 CCC(C)NC(=O)C1=CC=CC=C1SC 1 2.829 1 1 -16.6602520890501 2962951 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)SC 1 3.243 1 2 -6.07495448011325 2962943 CSC1=CC=CC=C1C(=O)N2CCCCC2 1 2.703 1 1 -11.0222244560049 2962936 CC(C1=CC=CC=C1)NC(=O)C(C)N2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 3.106 2 3 -7.70198969208035 2962925 CN1C=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3 1 1.525 3 3 0 -16.5064717616914 2962920 C1COC(=O)C1SC2=NN=C(O2)C3=CC(=CC=C3)Br 1 2.684 2 3 -0.457021648386351 2962918 C1COCCN1C(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)Br 1 1.914 3 3 0 -11.7174674328821 2962916 COC1=CC=CC=C1C2=NN=C(O2)SCC(=O)N3CCCCC3 1 2.379 3 3 -15.7033418686534 2962914 CC1CCN(CC1)CC(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3CCC(CC3)C 1 3.894 3 4 0 -11.1564726518644 2962908 CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CC=C3)C(=O)OC 1 3.232 1 3 -8.88554263333124 2962907 CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)Cl)C(=O)O 1 3.67 1 3 -5.17688949546821 2962902 C1CC2=CC3=C(C=C2C1)NC(=O)CC3C4=C(C=CC(=C4)Br)F 1 4.57 1 1 -4.27135728483004 2962895 COC1=CC=CC(=C1)C2CC(=O)NC3=C2C=C4CCCC4=C3 1 3.6 1 2 -3.68283296313049 2962893 C1CC2=CC3=C(C=C2C1)NC(=O)CC3C4=CC=C(C=C4)F 1 3.822 1 1 -4.36804311313026 2962890 C1COC2=C(O1)C=C3C(CC(=O)NC3=C2)C4=CC=CS4 1 2.088 1 3 -9.94785703545063 2962881 CC1CC2=C(C(C(=C(N2)C)C(=O)OC(C)C)C3=CC=C(O3)C)C(=O)C1C(=O)OC 1 2.249 1 6 0 -34.7079881230616 2962872 CC1=CC2=C(C=C1)OC=C(C2=O)C3C4=C(CC(CC4=O)C5=CC(=C(C=C5)OC)OC)NC(=C3C(=O)NC6=CC=CC=C6C)C 1 4.78 2 6 0 -40.1396089493999 2962865 CC1=C(C=C(C=C1)N(C(C)C(=O)N2CCOCC2)S(=O)(=O)C)C 1 1.356 2 4 0 -10.4435525649347 2962864 CN(C1=CC=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])S(=O)(=O)C 1 1.329 3 6 0 -7.65423394348804 2962853 CC(C(=O)NCCC1=CC=CC=C1)N2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 3.05 2 3 -8.68757460215727 2962850 CC(C(=O)NC1=CC=CC=C1Br)N2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 3.47 2 3 -8.07172253464478 2962848 CNC(=O)CN(C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C 1 2.416 2 3 -8.05187581135719 2962847 C1CC2CC1CC2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.237 2 4 -7.16554212384186 2962844 CC(C(=O)N1CCOCC1)N2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 1.039 2 4 0 -9.5760714379569 2962837 C1COCCN1C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.313 3 6 0 -14.9298473260898 2962814 CC(C(=O)N(C)C)N1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 1.351 2 3 0 -3.74401049670743 2962812 C1CCN(C1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.087 3 5 0 -13.0070823621462 2962762 CCNC(=O)CC1C(=O)N(C(=O)N1CC2=CC=CC=N2)C3=CC=C(C=C3)C 1 1.754 4 3 0 -19.6268873551948 2962761 CCNC(=O)CC1C(=O)N(C(=O)N1CCC2=C(C=CS2)C)C3=CC=C(C=C3)C 1 3.164 3 3 -19.5054175846029 2962759 CCNC(=O)CC1C(=O)N(C(=O)N1CCC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3 1 2.492 3 5 0 -21.6637871391162 2962757 CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CCCOC)C3=CC=CC=C3 1 1.983 3 6 0 -21.1282195928692 2962754 COCCCN1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)CC(=O)NC3=CC=CC=C3 1 1.985 3 4 0 -15.960329550713 2962753 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCC3=NC4=CC=CC=C4N3 1 3.887 3 3 -2.88542148541072 2962749 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)OC 1 3.366 3 7 0 -19.082664898608 2962745 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)SCCC3=NC4=CC=CC=C4N3 1 3.237 3 2 -1.44934388310653 2962732 C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CC3=CC=CC=N3)C4=CC=C(C=C4)F 1 2.701 4 3 0 -14.3352176798779 2962731 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CC3=CC=CC=N3)C4=CC=CC=C4 1 2.828 4 4 0 -16.3309331229642 2962729 C=CCN1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)CC(=O)NC3=CC=C(C=C3)F 1 3.334 3 3 -15.289590622544 2962724 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCC3=CC=NC=C3 1 1.566 3 3 0 -7.30113585310121 2962720 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5 1 3.404 3 7 0 -8.90305271471857 2962716 COC1=CC=C(C=C1)C2=NOC(C2)CNC(=S)N 1 1.667 3 2 0 -4.78100283945456 2962711 CC(C)(C)C(=O)OCC1C(C(C(O1)N2C=NC(=N2)C(=O)N)O)O 1 -0.82 4 6 0 -14.697352199951 2962709 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC4CC(=NO4)C5=CC=CC=C5OC 1 1.984 6 5 0 -20.3597251067224 2962707 CN1C2=C(N=C1NCC3CCCO3)N(C(=O)N(C2=O)C)C 1 0.136 5 3 0 -15.0024353084852 2962706 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CCC3=CC=CC=C3 1 1.143 5 3 0 -16.1312928354305 2962699 CC1CC(CN(C1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C 1 1.539 5 2 0 -10.4961248752406 2962652 CC(C12CC3CC(C1)CC(C3)C2)NCC4=C(C=CC(=C4)Br)OCC(=O)N.Cl Cl- 1 3.805 2 2 -3.37860617743473 2962657 CCOC1=C(C=C(C(=C1)CNC2CCCC2)Cl)OCC(=O)NC3=CC=CC=C3 1 4.386 2 3 -5.0504182200562 2962693 C1CC(OC1)N2C=C(C(=O)N(C2=O)CC3=C(C=CC=C3Cl)Cl)F 1 2.493 2 3 -13.3003265646233 2962692 CC(CCO)NC1=NC2=C(N1)C(=O)N(C(=O)N2C)C 1 -0.528 5 3 0 -12.2178865972731 2962690 C1CC(OC1)N2C=C(C(=O)N(C2=O)CC3=CC=CC=C3F)F 1 1.369 2 3 0 -13.4604289442686 2962670 CCC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.111 5 3 0 -11.1815520941268 2962668 CC1=CC=C(C=C1)NC(=O)CSC2=NN=CC3=CC=CC=C32 1 3.323 3 1 -7.34604018335912 2962628 CCOC1=C(C=C(C(=C1)C2C(=C(NC(=O)N2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)Br)OCC(=O)O 1 4.394 2 6 0 -27.5906788644058 2962627 CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2Br)CNCCC3=CC=CC=C3)OC.Cl Cl- 1 5.11 2 3 -9.3915785837987 2962610 CCOC(=O)C(C)OC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)NC3=CC=CC=C3C 1 3.004 3 5 0 -40.9276099325889 2962608 CC1=CC=CC=C1NC(=O)COC2=C(C=C(C(=C2)Br)CNCCCN3CCOCC3)OC 1 3.094 3 4 0 -10.9178513043559 2962601 CCOC(=O)C(C)OC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)C)Br 1 2.212 2 5 0 -35.2594727336042 2962597 CCCC1=C(C(NC(=O)N1)C2=CC=CC=C2OCC)C(=O)OCC 1 2.726 2 4 -23.9486245477667 2962596 CC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OCC=C)OC)C3=CC=CC=C3 1 4.046 2 3 -27.2957030887054 2962595 CC(=O)C1=C(NC(=S)NC1C2=CC(=C(C(=C2)Cl)OCC(=O)O)OC)C3=CC=CC=C3 1 3.575 2 5 0 -25.3150320663486 2962583 CCOC1=C(C=CC(=C1)CNCCCN2CCOCC2)OCC(=O)NC3=CC=CC4=CC=CC=C43.Cl Cl- 1 3.117 3 4 0 -12.5667804322418 2962569 CCOC1=C(C=C(C=C1Cl)C2C(=C(NC(=O)N2)C)C(=O)NCC3=CC=CC=C3)OC 1 2.981 3 4 0 -34.6640668187062 2962555 CC(C1=CC=CC=C1)NCC2=C(C=CC(=C2)Br)OCC(=O)NCC3=CC=CC=C3.Cl Cl- 1 4.703 2 2 -6.48513015529722 2962554 CCCC1=C(C(NC(=O)N1)C2=CC=C(C=C2)NC(=O)C)C(=O)OCC 1 1.514 3 4 0 -26.0684396818322 2962550 CCN(CC)CCNCC1=C(C=CC(=C1)Br)OCC(=O)NCC2=CC=CC=C2.Cl Cl- 1 3.579 3 2 -8.17607529039397 2962539 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)OC(C)C(=O)O)OC)C 1 1.346 2 7 0 -39.0726781330048 2962532 C1=CC=C(C=C1)CNCC2=CC=CC=C2OCC(=O)NC3=CC=CC=C3.Cl Cl- 1 3.571 2 2 -4.45534233208569 2962523 CC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2OCC#N)C3=CC=CC=C3 1 1.888 3 3 0 -26.2204366198521 2962520 COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)Br)CNCCCN3CCOCC3.Cl Cl- 1 2.608 3 4 0 -8.02001001361862 2962516 CC(C1=CC=CC=C1)NCC2=CC(=C(C(=C2)Cl)OCC(=O)NC3=CC=CC=C3)OC.Cl Cl- 1 4.596 2 3 -5.29840319987328 2962515 CC1=C(C(NC(=O)N1)C2=CC(=CC(=C2OCC(=O)O)OC)Cl)C(=O)C 1 1.052 2 6 0 -30.973428030541 2962512 CCOC1=C(C=C(C(=C1)CNCCO)Cl)OCC(=O)NCCC2=CC=CC=C2 1 2.773 2 4 -8.91627227693798 2962503 CC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)OCC(=O)O)OC)C3=CC=CC=C3 1 1.623 2 6 0 -29.222776278731 2962486 COC1=C(C=CC(=C1)CNCCCN2CCOCC2)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F.Cl Cl- 1 2.802 3 4 0 -6.68072732830432 2962477 CCOC1=C(C=C(C(=C1)C2C(=C(NC(=O)N2)C)C(=O)C)Br)OCC(=O)OCC 1 2.06 2 6 0 -36.2655687885421 2962476 CCC(CO)NCC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)OCC 1 3.624 2 4 -4.08014839212438 2962466 CCCOC1=C(C=C(C=C1C2C(=C(NC(=O)N2)C)C(=O)NCC3=CC=CC=C3)Cl)OC 1 3.505 3 4 0 -29.3234852852685 2962448 CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2CNC3CCCC3.Cl Cl- 1 3.594 2 4 -7.80664708218418 2962427 COC1=C(C(=CC(=C1)CNCCC2=CC=CC=C2)Br)OC3CCCC3.Cl Cl- 1 5.39 1 2 -1.1376292054195 2962420 CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC=C(C=C4)OCC(=O)N.Cl Cl- 1 3.057 2 2 -4.1108955308135 2962414 CN(C)CCNCC1=CC=C(C=C1)OC2CCCC2.Cl Cl- 1 2.892 2 1 1.41391458323167 2962407 COC1=C(C=CC(=C1)CNCCO)OC2CCCC2.Cl Cl- 1 2.197 1 3 -2.47544530099449 2962400 COC1=C(C(=CC(=C1)CNC2CCCC2)Cl)OCC3=CC=CC=C3Cl.Cl Cl- 1 5.649 1 2 -5.63013155727213e-003 2962384 CCCCNCC1=CC(=C(C(=C1)Cl)OCCC)OCC.Cl Cl- 1 4.549 1 2 -3.6896063714085 2962375 CC(C)CNCC1=CC(=C(C(=C1)Br)OC2CCCC2)OC.Cl Cl- 1 4.677 1 2 -4.31254678715882 2962373 CCOC1=C(C(=CC(=C1)CNCCCN2CCOCC2)Br)OCC3=CC=CC=C3Cl.Cl Cl- 1 4.568 2 3 -4.25678291154522 2962368 C1=CC=C(C=C1)CC(=O)NNC2=C3C=CC=CC3=NC4=CC=CC=C42 1 4.194 3 1 0.869674970264434 2962367 CC1=CC(=CC=C1)OCC(=O)NNC2=C3C=CC=CC3=NC4=CC=CC=C42 1 4.481 3 2 2.08093078941585 2962364 C1COCCN1CCNC(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3 1 1.422 3 5 0 -11.490957847248 2962362 C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=C(C=C4)Cl 1 2.787 4 4 0 -6.02319296423583 2962360 CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CC=CO2)C#N 1 0.705 3 3 0 -11.9187848179691 2962358 COC1=CC=C(C=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NS(=O)(=O)C3=CC=CC=C3 1 2.564 3 5 0 -5.35984462838714 2962357 C1CSC2=NC(C(=O)N21)(C(F)(F)F)NC3=NC=CS3 1 1.711 4 1 0 -5.95515674192829 2962348 C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NS(=O)(=O)C4=CC=CC=C4 1 1.826 4 5 0 -7.42796364555015 2962345 C1=CC=NC(=C1)NC2(C(=O)N(C(=O)N2)C3=CC=C(C=C3)F)C(F)(F)F 1 3.072 4 2 -0.472508269172944 2962343 CC(C)(C)C(=O)NC1(C(=O)N(C(=O)N1)C2=CC=C(C=C2)F)C(F)(F)F 1 2.965 3 3 -9.33604272298997 2962337 CC(C)(C)C(=O)NC1(C(=O)N(C(=O)N1)C2=CC=C(C=C2)OC)C(F)(F)F 1 2.743 3 4 0 -10.1821122915365 2962333 CC1=C(C=C(C=C1)N2C3=C(C(=O)CC(C3)(C)C)C(C2=O)(C(F)(F)F)O)C 1 3.341 1 3 -7.90870354838499 2962322 C1=CC=C(C=C1)CN2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C3=CC=CS3 1 2.838 3 3 -6.38359269934291 2962313 COC1=CC=C(C=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C3=CC=NC=C3 1 1.71 4 4 0 -6.9710175466968 2962312 COC1=CC=C(C=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C3=CN=CC=C3 1 1.71 4 4 0 -8.13946052024206 2962308 CCCCN1C(=O)C(NC1=O)(C(F)(F)F)NC(=O)C2=CC=CO2 1 2.025 3 4 0 -6.17377704569785 2962306 C1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=NC=C4 1 0.965 5 4 0 -7.88241576458772 2962301 CC1=CC=C(C=C1)C(=O)NC2(C(=C(NC2=O)C)C#N)C(F)(F)F 1 1.796 3 2 0 -12.9869879719227 2962300 C1CSC2=NC(C(=O)N21)(C(F)(F)F)NC(=O)C3=CC=CC=C3 1 2.585 3 2 -9.38650265413116 2962288 CC1=NN(C(=C1C2=CC=CC=C2)N)C3=CC=C(C=C3)C(=O)O 1 2.865 3 2 -1.15682133545386 2962287 C1C2CC3CC1CC(C2)(C3)N4C=C(C=N4)NC(=O)C5=NOC(=C5)C6=CC=CC=C6 1 4.1 4 2 -1.76873267469401 2962286 CCOC(=O)C1CCCN(C1)C(=O)C2=NOC(=C2)C3=CC=CC=C3 1 2.747 2 4 -7.56843190290622 2962285 CC1(CC2CC(C1)(CN2C(=O)C3=NOC(=C3)C4=CC=CC=C4)C)C 1 3.977 2 2 -9.9649362285156 2962284 C1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCN3C=CN=C3 1 1.534 4 2 0 -4.59703855531633 2962283 C1CC(OC1)CNC(=O)C2=NOC(=C2)C3=CC=CC=C3 1 2.089 2 3 -10.3781663238046 2962254 CSC1=CC=CC=C1NC(=O)C2CC(=NO2)C3=CC=CC=C3Cl 1 3.588 2 2 -8.30623527357741 2962252 C1C(ON=C1C2=CC(=CC=C2)Br)C(=O)O 1 1.975 1 3 0 -1.45008368069268 2962251 CCCN1C=C(C=N1)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br 1 2.653 4 2 -5.08894769889918 2962243 C1C(ON=C1C2=CC(=CC=C2)Br)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.905 2 4 -6.28379689854653 2962241 C1CN(CC2=CC=CC=C21)C(=O)C3CC(=NO3)C4=CC(=CC=C4)Br 1 3.418 2 2 -9.65189923964888 2962238 C1C(ON=C1C2=CC(=CC=C2)Br)C(=O)NCCCN3C=CN=C3 1 1.358 4 2 0 -4.18777439725213 2962230 C1C(ON=C1C2=CC(=CC=C2)Br)C(=O)NCC3=CN=CC=C3 1 1.986 3 2 0 -7.06898868403386 2962228 CC1=CC(=NO1)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br 1 2.269 3 3 -10.4114941289986 2962225 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CC(=NO3)C4=CC(=CC=C4)Br 1 2.223 4 3 0 -13.0046271922774 2962223 C1C(ON=C1C2=CC(=CC=C2)Br)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.898 2 4 -4.2969213684894 2962216 CN1C(=C(C=N1)C#N)NC(=O)C2CC(=NO2)C3=CC(=C(C=C3)Cl)Cl 1 2.364 5 2 0 -6.21469133273907 2962212 C1CN(CCC12OCCO2)C(=O)C3CC(=NO3)C4=CC(=C(C=C4)Cl)Cl 1 2.405 2 4 -9.08127831144194 2962211 C1C(ON=C1C2=CC(=C(C=C2)Cl)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.486 2 4 -6.73656392796615 2962210 C1C(ON=C1C2=CC(=C(C=C2)Cl)Cl)C(=O)NCC3=CC=CC=N3 1 2.782 3 2 -7.10622567996716 2962208 C1C(ON=C1C2=CC(=C(C=C2)Cl)Cl)C(=O)NCC3=CC=CS3 1 3.457 2 2 -7.74972392869653 2962203 C1C(ON=C1C2=CC(=C(C=C2)Cl)Cl)C(=O)NCC3=CC=CO3 1 2.899 2 3 -7.05495876106193 2962202 C1C(ON=C1C2=CC(=C(C=C2)Cl)Cl)C(=O)NCC3=CN=CC=C3 1 2.567 3 2 -7.4243614869287 2962200 C1C(ON=C1C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CN=CC=C3 1 2.56 3 2 -2.25002506957129 2962192 CCC1=C(SC(=C1C#N)NC(=O)C2CC(=NO2)C3=C(C=CC=C3Cl)F)C 1 4.005 3 2 -14.5822698314934 2962189 CN1C(=C(C=N1)C#N)NC(=O)C2CC(=NO2)C3=C(C=CC=C3Cl)F 1 1.905 5 2 0 -10.5438880731512 2962184 CN1CCN(CC1)C(=O)C2CC(=NO2)C3=C(C=CC=C3Cl)F 1 1.838 3 2 0 -8.37441836320011 2962183 CC1=NN(C(=C1)NC(=O)C2CC(=NO2)C3=C(C=CC=C3Cl)F)C4=CC=CC=C4 1 3.885 4 2 -11.8432227093385 2962179 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CC(=NO3)C4=C(C=CC=C4Cl)F 1 2.345 4 3 0 -17.7865909621092 2962178 COC1=CC(=C(C=C1NC(=O)C2CC(=NO2)C3=C(C=CC=C3Cl)F)OC)Cl 1 3.883 2 4 -12.3023104806441 2962177 C1C(ON=C1C2=C(C=CC=C2Cl)F)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.02 2 4 -8.93904723409956 2962169 CCCN1C2=C(C(=O)CC(C2)(C)C)C(C1=O)(C(F)(F)F)NC(=O)C3=CC=NC=C3 1 1.91 3 3 0 -15.1031635392142 2962165 C1=CC(=CN=C1)CN2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C3=CC=NC=C3 1 0.583 5 3 0 -7.15030013770473 2962163 C1=CC(=C(C=C1N2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C3=CC=NC=C3)Cl)F 1 2.597 4 3 0 -5.19030065112886 2962157 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC3(C(=O)N4CCSC4=N3)C(F)(F)F 1 2.865 4 3 0 -7.81295544971504 2962152 CCOC(=O)NC1(C(=O)N(C(=O)N1)C2CCCCC2)C(F)(F)F 1 2.487 3 4 0 -8.46742855963353 2962151 CC1=C(C(C(=O)N1)(C(F)(F)F)NC2=NC=C(C=C2)Cl)C(=O)OC 1 1.467 3 3 0 -7.22701403047091 2962150 CCOC(=O)NC1(C(=C(NC1=O)C)C(=O)OC)C(F)(F)F 1 0.614 2 5 0 -12.4539678684328 2962149 CC1=CC(=NO1)NC2(C(=O)NC(=N2)C3=CC=CC=C3)C(F)(F)F 1 2.291 4 2 -8.61126405913412 2962143 CC1(CC2=C(C(=O)C1)C(NC(=O)N2CC3CCCO3)(C(F)(F)F)C(F)(F)F)C 1 2.612 2 3 -16.8872570054031 2962140 CCOC(=O)C1=C(NC(=O)C1(C(F)(F)F)NC(=O)C2=CN=CC=C2)C 1 0.484 3 4 0 -14.7161559945887 2962137 C1CCC(CC1)N2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C3=CC=CS3 1 3.113 3 3 -9.22021957562602 2962133 C1=CC=C(C=C1)C(=O)NC2(C(=O)N(C(=O)N2)CC3=CN=CC=C3)C(F)(F)F 1 1.734 4 3 0 -7.34777748931116 2962131 CC1=C(N=CC=C1)NC2(C(=O)NC(=N2)C3=CC=CC=C3)C(F)(F)F 1 3.499 4 1 -1.27615493095545 2962127 CC1=CN=C(C=C1)NC2(C(=C(NC2=O)C)C#N)C(F)(F)F 1 1.313 4 1 0 -10.7238494966017 2962126 CC1=NC(=CC=C1)NC2(C(=O)NC(=N2)C3=CC=CC=C3)C(F)(F)F 1 3.296 4 1 -0.747254061096995 2962125 CC1=NC(=CC=C1)NC2(C(=O)N3CCSC3=N2)C(F)(F)F 1 2.857 4 1 -3.79970954490438 2962122 CC1=CC(=NC=C1)NC2(C(=O)NC(=N2)C3=CC=CC=C3)C(F)(F)F 1 3.027 4 1 -0.292771436299906 2962121 C1=CC=C(C=C1)C2=NC(C(=O)N2)(C(F)(F)F)NS(=O)(=O)C3=CC=CC=C3 1 2.727 3 3 -4.85138614633876 2962120 C1=CC=C(C=C1)C2=NC(C(=O)N2)(C(F)(F)F)NC(=O)C3=CC=CC=C3 1 3.024 3 2 -6.44348879550805 2962117 C1CCC(CC1)N2C(=O)C(NC2=O)(C(F)(F)F)NC3=NC4=CC=CC=C4S3 1 3.913 4 2 -1.24087461086729 2962110 CCOC(=O)NC1(C2=C(CC(CC2=O)(C)C)N(C1=O)CC3=CC=CC=C3)C(F)(F)F 1 3.099 2 4 -12.6905791264038 2962098 CC1(CC2=C(C(=O)C1)C(C(=O)N2CC3=CC=C(C=C3)F)(C(F)(F)F)NC(=O)C4=CN=CC=C4)C 1 2.826 3 3 -13.3913709743323 2962095 CC1=C(C=C(C=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NC(=O)C(C)(C)C)C 1 3.732 3 3 -9.65436662666182 2962093 CC1=CC=C(C=C1)S(=O)(=O)NC2(C(=O)N(C(=O)N2)CCC3=CC=CC=C3)C(F)(F)F 1 3.395 3 4 0 -4.24271145465094 2962092 CC1=CC=C(C=C1)S(=O)(=O)NC2(C(=O)N(C(=O)N2)CC3=CC=CC=C3)C(F)(F)F 1 3.074 3 4 0 -3.73105812082707 2962091 CC1=CC=C(C=C1)S(=O)(=O)NC2(C(=O)N(C(=O)N2)C)C(F)(F)F 1 1.49 3 4 0 -3.87899144138039 2962085 CC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NS(=O)(=O)C4=CC=C(C=C4)C 1 2.791 4 5 0 -6.02644456445643 2962082 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3(C4=C(CC(CC4=O)(C)C)N(C3=O)C5=CC=CC=C5)C(F)(F)F 1 3.561 3 3 -11.6974947698093 2962075 CC1=C(C=C(C=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NS(=O)(=O)C3=CC=CC=C3)C 1 3.553 3 4 0 -4.83209896351244 2962073 CC1(CC2=C(C(=O)C1)C(C(=O)N2C3=CC=C(C=C3)F)(C(F)(F)F)O)C 1 2.574 1 3 -7.59037964471314 2962067 C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-] 1 4.151 3 3 -11.9391480174069 2962066 CC1=NN(C(=N1)C)CC(COC2=CC=C(C=C2)NC(=O)C)O 1 0.254 4 3 0 -6.66961842908206 2962065 CC(=O)NC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)Cl)O 1 2.855 3 3 -2.80362003120552 2962064 CC(=O)NC1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC=CC=C3)O 1 2.102 3 3 -5.71737576384312 2962059 CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)NC(=O)C)O)Cl 1 3.342 3 3 -3.98940678082808 2962056 CC1=C(C(=NN1CC(COC2=CC=C(C=C2)NC(=O)C)O)C)C(=O)C 1 0.889 3 4 0 -9.22004811338862 2962055 CC1=C(C(=NN1CC(COC2=CC=C(C=C2)NC(=O)C)O)C)Br 1 1.898 3 3 0 -6.6456712928158 2962053 C1CC2=C(C1)C=C(C=C2)OCC(CN3CCN(CC3)C4=CC=CC=C4F)O 1 4.333 2 2 -0.787499158980249 2962052 CC1=C(C(=NN1CC(COC2=CC3=C(CCC3)C=C2)O)C)Br 1 3.834 2 2 -3.38076307651777 2962051 CC1=C(C(=NN1CC(COC2=CC3=C(CCC3)C=C2)O)C)C(=O)C 1 2.826 2 3 -7.64374548426867 2962049 C1=CC=C2C=C(C=CC2=C1)OCC(CN3C=NC=N3)O 1 1.825 3 2 0 -1.16617404640902 2962047 CC1=NN(C(=N1)C)CC(COC2=CC3=C(CCC3)C=C2)O 1 2.19 3 2 -3.40471021278404 2962035 CC1=C(C(=O)NN1)C(C2=CN=CC=C2)C(C#N)C(=O)OC 1 -0.475 4 3 0 -14.7296426583664 2962022 CC1=C(C(C2=C(C(=C(C=C2)OC)OC)C(=O)N1)O)C(=O)OC(C)(C)C 1 1.443 1 6 0 -17.1324333082592 2962019 CCOC(=O)C1=C(OC2=C(C1C3=C(C=C(C=C3)F)F)C=CC(=C2)O)N 1 3.356 1 4 -3.76276266337092 2962013 CCOC(=O)CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=COC=C3 1 1.479 4 4 0 -15.8648317148302 2962006 CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CSC=C3 1 2.319 4 1 -9.3662911595769 2962002 CSC1=NC(=NC(=C1C#N)SC2CCCC=C2)N 1 3.415 4 0 -3.13454274370803 2961995 C1=CC=C(C=C1)SCC2=C3C(=NN2)OC(=C(C34C5=CC=CC=C5NC4=O)C#N)N 1 2.723 5 2 0 -7.61854047747409 2961994 CCOC(=O)N1CCC2(CC1)C(=C(OC3=C2SC4=C3C(=CC(=N4)C)C)N)C#N 1 2.755 4 3 0 -5.71362954019098 2961985 C1=CC(=C(C=C1Cl)Cl)C2C(C(=S)NC(=C2C#N)N)C(=O)N 1 2.003 4 1 -7.01765705747103 2961970 CC1=C(C=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=COC=C4)C 1 3.731 4 2 -7.52355504178293 2961967 CC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CSC=C4 1 3.803 4 1 -8.66015790122357 2961964 CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC3=CC(=O)NN3)C 1 1.396 4 3 0 -33.9352528476085 2961962 CN1C2=CC=CC=C2C3(C1=O)C(=C(OC4=C3OC(=CC4=O)CO)N)C#N 1 -0.726 3 5 0 -2.72553110226663 2961957 CC1=CC(=NC(=C1C#N)SC(C2=CC=CC=C2)C(=O)OC)C 1 3.833 2 2 -12.6253405690597 2961956 C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(C(=C(O3)N)C#N)C4=CC=NC=C4 1 3.261 4 1 -3.2472506262429 2961945 C1CC2=C(C1)N=C3C(=C2C(F)(F)F)C(=C(S3)C(=O)NC45CC6CC(C4)CC(C6)C5)N 1 4.642 3 1 -8.28726083746709 2961937 C1=CC(=CN=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=CC(=C4)F)F 1 2.915 5 1 -6.59139556420835 2961936 COC1=CC(=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=CN=CC=C4)N)C#N)OC 1 2.471 5 3 0 -8.68847103882539 2961926 CCN1C2=CC=CC=C2C3(C1=O)C(=C(OC4=NNC(=C34)COC)N)C#N 1 0.956 5 3 0 -6.2672142425678 2961924 CCC1=C2C(=NN1)OC(=C(C23C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)C#N)N 1 3.121 5 2 0 -5.17978881174923 2961901 CCN1C2=C(C=C(C=C2)C3C(=C(OC4=NNC(=C34)COC)N)C#N)C5=CC=CC=C51 1 3.775 5 2 0 -5.49519044721616 2961898 CCOC(=O)CCSC1=NC2=C(CCC2)C(=C1C#N)C(F)(F)F 1 3.949 2 2 -14.2451943859007 2961897 CC1C2(CCO1)C(=C(OC3=NNC(=C23)C)N)C#N 1 0.448 4 2 0 -3.78364591630835 2961889 CC(C)CC1C(=C(OC2=NNC(=C12)C3=CC=CS3)N)C#N 1 3.74 4 1 -11.6961090313535 2961887 COCC1=C2C(C(=C(OC2=NN1)N)C#N)C3CCCC=C3 1 1.955 4 2 0 -4.61116993604354 2961886 CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3CCCC=C3 1 3.765 4 1 -3.44837389244998 2961878 CCC1=C2C(C(=C(OC2=NN1)N)C#N)CC3=CC=CC=C3 1 3.113 4 1 -5.59809102570654 2961877 CC1=CC=C(C=C1)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C(C)C 1 4.21 4 1 -3.10971888427463 2961872 CCOC(=O)N1CCC2(CC1)C(=C(OC3=C2C(=O)CC(C3)C)N)C#N 1 1.027 3 4 0 -12.1178719306959 2961870 CC(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CO3 1 2.304 4 2 -9.82428849199827 2961861 CC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C(=O)OC(C)C)C(=O)C 1 0.867 2 5 0 -12.0421454553324 2961860 CC1=CC2=C(C(=O)O1)C3(C4=CC=CC=C4NC3=O)C(=C(O2)N)C(=O)OC 1 0.184 2 6 0 -12.4386281161743 2961855 CC1=CC=C(C=C1)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=CO4 1 3.719 4 2 -7.82863563706947 2961854 C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C#N 1 3.274 4 2 -22.7080288644874 2961848 COC1=CC=CC(=C1)C2C(C(SC(=C2C#N)N)C3=CC=CC=C3)[N+](=O)[O-] 1 3.575 3 3 -4.59031988150193 2961846 COC1=CC(=CC(=C1OC)OC)C2C(=C(OC3=NNC(=C23)CC(=O)OC)N)C#N 1 1.977 4 6 0 -15.6435389244263 2961843 CCOC(=O)NC(=O)CSC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-] 1 2.159 4 5 0 -7.65687474548998 2961841 CC(C1=CC=CC=C1)NC(=O)CN2C=C(C(=N2)[N+](=O)[O-])Br 1 2.682 4 3 0 -12.2306603574219 2961840 CCN1C=C(C(=N1)C(=O)NC(C)C2=CC=CC=C2)Br 1 3.174 3 1 -9.51960252783501 2961839 COC1=C(C=C(C=C1)C(=O)N)NC(=O)CC(C(F)(F)F)(C(F)(F)F)O 1 1.412 2 4 0 -12.9362964433513 2961838 CC(C1=CC=CC=C1)NC(=O)CC(C(F)(F)F)(C(F)(F)F)O 1 2.81 1 2 -10.5645851415613 2961837 COC(=O)C(CC(=O)NC1=CC(=CC=C1)SC)(C(F)(F)F)O 1 1.881 1 4 0 -5.14217253472652 2961836 CCC1=CC=CC=C1NC(=O)CC(C(=O)OC)(C(F)(F)F)O 1 2.281 1 4 -9.36495405748511 2961835 COC(=O)C(CC(=O)NC1=C(C=C(C=C1)Cl)F)(C(F)(F)F)O 1 2.209 1 4 -5.24892044870596 2961834 COC(=O)C(CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)(C(F)(F)F)O 1 3.459 1 5 -5.30748654450467 2961833 CC1=C(C=C(C=C1)NC(=O)CC(C(=O)OC)(C(F)(F)F)O)F 1 2.031 1 4 -5.78001872403387 2961832 C1C(C(=O)N(C1=O)CC2=CC=CC=C2)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.096 3 4 0 -11.9916398211323 2961828 CC1=NC2=CC=CC=C2N1C3CC(=O)N(C3=O)CC4=CC=CC=C4 1 2.515 3 2 -2.96863202003591 2961825 CC1=CC2=C(C=C1C)N(C=N2)C3CC(=O)N(C3=O)CC4=CC=CC=C4 1 3.226 3 2 -4.26981318528513 2961824 C1CC(=O)N(C1)CCC2CCN(CC2)C3CC(=O)N(C3=O)CC4=CC=C(C=C4)N5CCCC5=O 1 1.197 4 4 0 -13.6875497100649 2961821 C1CC(=O)N(C1)CCC2CCN(CC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)F 1 1.814 3 3 0 -4.98373347449047 2961820 C1CC(=O)N(C1)CCC2CCN(CC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Cl 1 2.273 3 3 -3.8736118093689 2961818 C1CN(CCC1C2=NC3=CC=CC=C3S2)C4CC(=O)N(C4=O)CC5=CC=CC=C5 1 3.503 3 2 1.89238794475832 2961817 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CO3)CC=C 1 3.06 3 4 0 -18.4098943372217 2961812 CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)OC)C(=O)C=C(S2)C(=O)OC)C 1 2.773 2 6 0 -23.7424652018158 2961811 C1CN(CCC1C2=NC3=CC=CC=C3N2)C4CC(=O)N(C4=O)CC5=CC=CC=C5 1 2.935 4 2 2.80855718428275e-003 2961810 C1CN(CCC1C2=NC3=CC=CC=C3O2)C4CC(=O)N(C4=O)C5=CC(=C(C=C5)Cl)C(F)(F)F 1 4.545 3 3 10.0601741273906 2961809 C1CN(CCC1C2=NC3=CC=CC=C3O2)C4CC(=O)N(C4=O)C5=CC(=CC(=C5)Cl)Cl 1 4.267 3 3 11.58077116277 2961808 C1CN(CCC1C2=NC3=CC=CC=C3O2)C4CC(=O)N(C4=O)C5=CC=C(C=C5)F 1 3.144 3 3 10.0093781480734 2961806 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4 1 3.795 3 4 0 8.57330054576919 2961805 C1C(C(=O)N(C1=O)C2=CC(=CC=C2)F)SCC3=NC4=CC=CC=C4N3 1 2.989 3 2 -1.06672268111721 2961803 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CN=CC=C3)CCC4=CC=CC=C4 1 4.016 4 3 0 -14.3527850146745 2961802 CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2C3CC3)C4=CC=C(C=C4)OC 1 3.949 3 5 0 -17.2275596071907 2961801 CN1C(=O)C(N(C1=S)CC2=CC=CO2)CC(=O)NC3=CC=C(C=C3)Cl 1 3.124 3 3 -11.4263158449738 2961800 C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)F)Cl)SCC3=NC4=CC=CC=C4N3 1 3.653 3 2 -1.05710584790093 2961797 CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC 1 3.078 4 2 -20.8609837108954 2961794 CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC)OC2=CC=CC=C2 1 2.862 1 5 -10.5573939313098 2961787 C1=CC=C(C(=C1)C#N)NC(=O)C2=CC=CC=C2OCC(=O)NC3=CC4=C(C=C3)C5=CC=CC=C5O4 1 4.617 3 4 0 -12.5240311305631 2961755 C1CC(OC1)C(=O)NC2=CC=CC3=C2C(=O)NC3=O 1 0.109 2 4 0 -16.6711392538244 2961748 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)N(C)C 1 2.112 3 5 0 -9.13239374625078 2961743 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.548 3 5 0 -4.29584565884395 2961720 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCOCC3 1 1.897 2 4 0 -12.8924863971134 2961706 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3 1 2.857 3 4 0 -20.7329008667478 2961703 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC(C)CN(C)C 1 2.685 2 4 -12.4723453078639 2961702 C1CN(CCC1C(=O)NCCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 2.464 2 4 -19.3453956340745 2961697 C1CC(=O)N(C1=O)C2=CC(=CC=C2)OC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F 1 1.899 2 5 0 -13.5507933560842 2961696 CC1CCCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl 1 3.987 2 2 -12.1824336000327 2961676 C1COCCN1C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4 1 3.493 3 2 -16.8185326392444 2961671 COC(=O)NC1=CC=C(C=C1)C(=O)NCC2CCCO2 1 1.16 2 4 0 -14.5866701509082 2961666 CC1=CC(=CC(=C1)OCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C 1 3.231 2 4 -20.3052460086436 2961654 CC1CN(CC(O1)C)C(=O)COC2=C(C3=CC=CC=C3C=C2)Br 1 3.178 1 3 -6.93819197461833 2961649 CC(C1=CC=CC=C1)N2C(=O)C3=C(C2=O)N=CC=C3 1 2.101 2 2 -3.87344650981768 2961637 C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)OC3=CC=C(C=C3)Br 1 3.487 1 3 -7.32981106245192 2961632 CCN1CCN(CC1)CCCOC2=CC=C(C=C2)C3=CC=CC=C3 1 3.839 2 1 6.49332237591952 2961627 CN(C)C(=O)CSC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3 1 3.098 3 2 -7.91634354278321 2961612 C1CC(OC1)C(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 2.507 3 3 -7.2220607437001 2961610 CC1CN(CC(O1)C)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.216 1 2 -13.0448530980605 2961593 CC1CN(CC(O1)C)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 3.665 2 2 -3.68938147498922 2961570 C1CC(=O)N(C1=O)C2=CC(=CC=C2)OC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)Br 1 2.442 2 5 0 -13.8973314360641 2961566 CCOC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C2)C 1 0.642 2 3 0 -4.11452511282379 2961561 CC1=CC(=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC4=C(C=C3)C5=CC=CC=C5O4)Cl 1 5.698 4 2 -9.77405176714234 2961558 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C34CC5CC(C3)CC(C5)C4 1 4.268 4 2 -10.3386385624578 2961555 CN(C)C(=O)CSC1=NN=C(O1)C23CC4CC(C2)CC(C4)C3 1 2.369 3 2 -13.949195218763 2961532 CC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)C(=O)OC)C 1 3.361 1 5 -9.43940642422351 2961505 C1C2CC3CC1CC(C2)(C3)NC(=O)NC(CC4=CC=CC=C4)C(=O)O 1 3.034 2 3 -11.2239888691687 2961494 CC1=CC(=NC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC(C)C 1 2.713 3 3 -10.8738339566437 2961484 CC(C)C(C(=O)OC)NC(=O)C(C)OC1=CC=CC=C1 1 2.391 1 4 -18.9389304298429 2961471 COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)OC3=CC4=CC=CC=C4C=C3 1 3.425 1 4 -6.01283602838741 2961466 C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)Cl 1 3.334 2 4 -15.231168553745 2961465 CCC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2O 1 3.28 1 2 -4.37347074732087 2961456 CCCNC(=O)C1=C(C=CC(=C1)SC)Cl 1 3.116 1 1 -6.02616820592027 2961449 CC1CN(CC(O1)C)C(=O)C2=CC(=CC(=C2)C)C 1 2.659 1 2 -11.0804453463916 2961447 COC1=CC=CC=C1C(=O)NNC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 0.739 3 5 0 -13.4027800784833 2961430 CC1=CC(=NC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 1 1.88 3 4 0 -15.7456332086859 2961402 CC1=CC(=CC(=C1OCC(=O)N2CCOCC2)C)NC(=O)C3=CC=CC=C3OC 1 2.507 2 5 0 -15.6884155803759 2961388 C1CC(OC1)C(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4 1 2.507 3 3 -9.28700734350991 2961373 CC(C(=O)C1=CC=C(C=C1)OC)N(C(=O)C2=C(C=C(C=C2)Cl)Cl)N3C(=O)C4C5CC(C4C3=O)C=C5 1 4.202 2 5 0 1.56701125845271 2961332 CC1CN(CC(O1)C)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C 1 1.141 2 4 0 -14.3100160744188 2961371 CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl)C(C4=CC=CC=C4)O 1 2.941 5 3 0 -16.5131464706255 2961366 COC(=O)COC1=CC=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.902 2 7 0 -11.7744702527635 2961362 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 1.635 3 7 0 -12.3566651243208 2961359 CSC1=CC=CC(=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(S3)Br 1 3.076 2 3 -8.00638748854476 2961356 COC1=C(C(=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3CCCO3)OC)OC 1 2.132 2 6 0 -16.0019597534388 2961342 C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)OC3=CC=C(C=C3)C=O 1 2.498 1 4 -11.189364772878 2961307 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCCOC4=CC=CC=C4 1 1.539 5 4 0 -8.37654124435715 2961298 COC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 1 1.989 2 5 0 -17.4672311217451 2961286 C1CN(CCN1C2=CC=CC=N2)C(=O)CCCOC3=C(C=C(C=C3)Cl)Cl 1 3.995 3 2 -2.98072032363545 2961273 CN1CCN(CC1)C(=O)NCC23CC4CC(C2)CC(C4)C3 1 2.007 3 1 -3.17798772356959 2961263 CC1CN(CC(O1)C)C(=O)C2=C(C=C(C=C2)C)Cl 1 2.837 1 2 -7.25647975749627 2961258 C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(O3)C45CC6CC(C4)CC(C6)C5)Cl 1 4.254 4 3 0 -13.4551577057931 2961237 CC1=C2C(=CC(=C1)Br)C(C(=O)N2)(CC(=O)C3=CC=CO3)O 1 2.264 1 4 -5.34324925438331 2961222 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)OC)Cl)C 1 2.061 2 4 -31.3389624505371 2961203 CC1CCN(C(C1)C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 1.907 2 3 0 -12.4482893298008 2961202 CC(C(=O)NC1=NC=CS1)SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)OC 1 3.921 5 3 0 -10.687752236249 2961199 COC(=O)COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.902 2 7 0 -11.2144774411179 2961187 CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 1 2.492 2 4 -16.328582088082 2961183 C1CC(OC1)C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 0.109 2 4 0 -16.2290217558539 2961177 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NCC(=O)O)C)C 1 2.029 1 3 -12.0738160973323 2961161 CC1CN(CC(O1)C)C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 3.239 1 2 -8.73044844727647 2961158 COC(=O)C1(CCCCC1)NC(=O)NC23CC4CC(C2)CC(C4)C3 1 3.147 2 3 -6.97682835251606 2961150 CC(C(=O)NC1=NC=CS1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC 1 4.076 5 3 0 -14.3700244043304 2961148 CCC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2Br 1 4.271 1 1 -7.50604960971024 2961134 CC1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2 1 3.315 2 3 -6.82101178122263 2961131 COC1=CC=C(C=C1)OCCNC(=O)C2=CC=CC=C2OCC(=O)N3CCCCC3 1 2.82 2 5 0 -14.2944487260287 2961129 C1COCCN1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.313 3 6 0 -12.2335570375387 2961123 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 2.456 2 4 -13.4124432755052 2961096 CC1=NC2=C(C=C(C=C2)Br)C3=C(O1)N=C(N=N3)SCC=C 1 4.272 4 1 -6.62541135751733 2961049 COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 1.923 2 5 0 -22.3500479670605 2961040 CC(C(=O)NC1CC(NC(C1)(C)C)(C)C)OC2=CC=C(C=C2)C(C)(C)C 1 3.497 2 2 -11.9845109578282 2961026 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NC(C)(C)CO 1 3.28 2 2 -2.62768912867401 2961024 CCOC1=CC=C(C=C1)NC(=O)C(C)OC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C)Cl 1 5.201 2 4 -12.6675114144074 2961023 C1CCC(CC1)C(=O)NC(C(=O)NCCN2CCOCC2)C34CC5CC(C3)CC(C5)C4 1 2.996 3 3 -14.6480772165652 2961018 C1CCN(C1)C(=O)NCC23CC4CC(C2)CC(C4)(C3)CNC(=O)N5CCCC5 1 2.021 4 2 -7.137926160095 2961012 COC1=CC=CC=C1OC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 3.181 1 4 -8.58868354355814 2961010 COC1=CC=CC(=C1)NC(=O)CC2=CC3=CC=CC=C3C=C2 1 3.541 1 2 -2.77868290144891 2961008 CC1(CC(CC(N1)(C)C)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C 1 1.21 4 5 0 -22.9948596325011 2960996 CC(C1=CC=C(C=C1)Br)NC(=O)C2=CC=CS2 1 3.7 1 1 -7.69009354967081 2960983 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC3=CC=CC(=C3)N4C(=O)CCC4=O 1 2.18 2 5 0 -14.2626703815495 2960972 CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)C(=O)C 1 2.759 1 4 -10.2310391707967 2960946 CN(CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.125 3 6 0 -10.0270777342463 2960943 CNC(=O)COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4O3 1 3.161 2 4 -12.2995146070536 2960929 C=CCN1C(=NN=C1SCC2=NN=C(O2)C3=CC=CC=C3)C(C4=CC=CC=C4)O 1 3.483 5 2 0 -16.4398955390932 2960923 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)C34CC5CC(C3)CC(C5)C4 1 2.933 5 1 -11.1294190955169 2960921 CC1=C(C2=C(C=C1)C(C(=O)N2)(CC(=O)C3=CC4=C(C=C3)OCO4)O)C 1 2.374 1 5 -7.62529796522285 2960914 CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)C(=O)OC 1 2.875 1 5 -9.53049045673705 2960907 CN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.224 3 4 0 -13.5556931173413 2960897 CCC(C)OC1=CC=CC(=C1)OCCCCN2C(=O)C(NC2=O)(C)C 1 3.349 2 4 -9.18562610294271 2960893 CC(C(=O)NC1=NCCS1)OC2=CC=CC=C2 1 2.422 2 2 -13.6408210823873 2960876 CC1=NC2=CC=CC=C2C3=C(O1)N=C(N=N3)SC 1 2.907 4 1 -4.08255933452504 2960872 C1C(CN(C1=O)C2=CC=C(C=C2)Br)C(=O)OC3=CC4=CC=CC=C4C=C3 1 4.19 1 3 -5.67106943806077 2960871 COCCNC(=O)C(C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCCCC4 1 3.039 2 3 -15.4636964055762 2960858 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC4=CC=CC=C43 1 3.448 1 3 -5.92494421293641 2960812 CC1CCCCN1C(=S)NC2=CC(=C(C=C2OC)Cl)OC 1 4.974 2 2 -13.2970694280416 2960817 CC1=CC=CC=C1C2=NOC(=N2)C34CC5CC(C3)CC(C5)C4 1 4.522 2 1 3.56237837875387 2960819 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCS(=O)(=O)C3 1 0.123 2 5 0 -26.9256001378145 2960844 COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-] 1 2.956 3 4 0 -2.56650010473651 2960833 CC1=C(SC(=N1)N)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3C(F)(F)F 1 2.811 6 1 0 -8.10833174539822 2960830 CC1=CC=CC=C1C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-] 1 2.876 3 3 -12.9929173749537 2960828 CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CC=CCC3C(=O)O)N4CCOCC4 1 2.937 3 5 0 -5.83487885118387 2960803 COC1=C(C(=CC(=C1)CNCCO)Br)OCC2=CC=CC=C2Cl.Cl Cl- 1 3.791 1 3 -0.178358620276586 2960790 C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC=C4C(=O)N 1 2.542 2 2 -8.84895944278913 2960781 C1=CC=C(C(=C1)NC2=NC(=CS2)C3=CN=CC=C3)[N+](=O)[O-] 1 2.43 4 2 3.46865734907393 2960780 C1COCCN1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br 1 1.287 3 4 0 -10.0773061979745 2960774 CC1=C(C=CC=C1Cl)NC(=O)CN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O 1 5.169 2 2 -3.81823961621773 2960759 COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCN3C(=O)CCC3=O)[N+](=O)[O-] 1 1.533 4 6 0 -16.0637537545976 2960754 CC1CN(CC(O1)C)C2=C(C=C3C(=C2)N=CC=N3)F 1 2.104 3 1 -4.3616913617117 2960752 C1=CC=C(C=C1)COC2=CC=C(C=C2)CNCC3=CC=CS3.Cl Cl- 1 4.258 1 1 -0.321542354834178 2960747 CN1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)Br)[N+](=O)[O-] 1 1.556 4 3 0 -3.25417596512019 2960743 COC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCN3C(=O)CCC3=O 1 1.533 4 6 0 -16.6830762888876 2960740 C1=CC(=CC=C1NC(=O)CC2C(=O)NC(=O)N2)Cl 1 0.524 3 3 0 -13.9526603522839 2960739 C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)F)N=C(N)N 1 2.38 5 0 8.86822638691194 2960734 CCOC1=C(C(=CC(=C1)CNCCO)Br)OCC2=CC=CS2.Cl Cl- 1 3.216 1 3 -4.33178261727426 2960728 CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2CC=C)N 1 2.382 4 4 0 -21.8119261188737 2960723 CCCCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N 1 2.724 5 2 0 -3.31187410183396 2960719 CCCCN1C2=CC=CC=C2N=C1NCC3=CC=C(C=C3)N(C)C 1 4.503 4 0 -9.43050458913916 2960716 CCN(CC)C1=C2C(=CSC2=NC=N1)C3COC4=CC=CC=C4O3 1 3.909 3 2 0.185439904309394 2960713 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCC3=NC4=CC=CC=C4N3 1 3.015 3 3 -2.57418711771592 2960712 CCCN1C=C(C2=CC=CC=C21)C(CC(=O)O)C(=O)O 1 2.507 1 4 -9.7431063564013 2960709 CN(C1CCCCC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3 1 4.529 3 3 -8.81183378210014 2960704 CC1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC(=O)CN4CCC(CC4)C)OC)OC 1 3.906 4 4 0 -9.20258071134366 2960695 C1C2CC3CC1CC(C2)(C3)CC(=O)NCC4=CC=CO4 1 2.729 1 2 -10.9085254071739 2960683 CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)[N+](=O)[O-] 1 2.91 4 3 0 -6.19549763959336 2960667 CN(CC1=CC=CC=C1)C(=O)CC(C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)O 1 5.024 1 2 -4.05552050105111 2960665 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-] 1 2.076 3 5 0 -15.7059443395852 2960661 C1CCC(CC1)N(C2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N 1 3.254 5 2 0 -2.4868956816602 2960655 CCOC(=O)C(C)OC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)NC3=CC(=C(C=C3)C)C 1 3.49 3 5 0 -39.5573273207429 2960652 COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NCC3=CC=CO3 1 4.811 3 2 -8.30212593090865 2960649 CSC1=CC=CC(=C1)N2CCN(CC2)CCCNC(=S)NC3=CC=C(C=C3)F 1 5.09 4 0 -1.22225559150482 2960629 CCCN1CCN(CC1)CCCNC(=S)NC2=CC=C(C=C2)F 1 3.748 4 0 -7.54438356085364 2960627 CC(C)N(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.031 4 4 0 -3.68000190068801 2960625 CCCCC1=NN=C(S1)NC(=O)C(C)SC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O 1 4.263 5 3 0 -21.0208061737645 2960624 COC1=CC=C(C=C1)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-] 1 2.373 3 4 0 -10.2466880525262 2960620 CC1=CC=CC=C1NC(=O)C2=C(NC(=O)C(C23CCCC3)C(=O)N)C 1 1.421 3 3 0 -14.1920975248479 2960611 C1C(OC2=CC=CC=C2O1)CC(=O)NCC3=CC=CC=C3 1 2.536 1 3 -12.7095363843185 2960607 CC1(CC2=C(CS1)C=C3C(=C(SC3=N2)C(=O)NCCCO)N)C 1 1.364 3 2 0 -15.3874646195136 2960589 CCCCC1=NN=C(S1)NC(=O)C(C)SC2=NC(=O)C=C(N2)N 1 1.669 6 2 0 -18.6365388673727 2960588 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C(=O)N4C)C)[N+](=O)[O-] 1 0.865 6 6 0 -24.7787552665924 2960581 C1=CC=NC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N 1 0.578 6 2 0 0.740813870739854 2960548 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4 1 5.33 4 2 -8.81034545644567 2960546 C1=CN=C(N=C1)SC2=NC=NC(=C2[N+](=O)[O-])N 1 1.137 6 2 0 -2.58492102916666 2960539 COC1=CC=CC=C1C(=O)NC2=NC(=O)CC3N2CCNC3=O 1 0 4 4 0 -19.4901817809731 2960537 CC(C)OC1=C(C=C(C=C1CNC)Cl)OC.Cl Cl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r 1 1.556 4 3 0 -5.68432489669757 2960495 CCOC1=CC=C(C=C1)CNCC2=CC=CC=C2Cl.Cl Cl- 1 3.948 1 1 1.453325328247 2960486 CC1=CC=C(O1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=O)C 1 3.041 2 2 -2.30296517778128 2960477 C1=CC2=C(C(=C1)OC3=NC=NC(=C3[N+](=O)[O-])N)N=CC=C2 1 2.023 5 3 0 -2.67915980751406 2960476 CCN(C1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CN=CC=C3 1 3.305 4 3 0 -9.87837377002599 2960469 CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)CNC3CCCCC3)OC 1 4.033 2 5 0 -11.7243544318751 2960461 CC1=CC=C(C=C1)N2C(CC(=O)N=C2NC3=NC(=CC(=N3)C)C)C(=O)O 1 2.118 5 3 0 -10.0245923105795 2960455 C1=CC(=CC(=C1)Br)CNCCO.Cl Cl- 1 1.576 1 1 0 2.08523662108486 2960451 CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCOCC4 1 2.449 5 2 0 -20.1683427469698 2960449 C1CN2C(CC(=O)N=C2NC(=O)C3=CC=C(C=C3)Cl)C(=O)N1 1 0.68 4 3 0 -15.9018767338426 2960437 CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O 1 3.697 3 5 0 -17.337700086667 2960435 COC1=C(C(=CC(=C1)CNCCO)Cl)OCC2=CC=CC=C2Cl.Cl Cl- 1 3.707 1 3 -1.32545428769437 2960428 COC1=C(C=C(C=C1)CCN2C(C(C2=O)OC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC)OC 1 4.372 1 6 0 -6.37924804102379 2960427 CC(=O)NCCN1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35 1 1.415 2 3 0 -13.8784958188981 2960415 CCCNCC1=CC(=C(C(=C1)Cl)OCC=C)Cl.Cl Cl- 1 4.169 1 1 -4.61636183365579 2960408 CCCC1=NN=C(S1)NC(=O)CN2CCN(CC2)C.Cl Cl- 1 0.771 5 1 0 -9.35314510776421 2960405 C1C(OC2=CC=CC=C2O1)C(=O)NCC3=CC=NC=C3 1 1.243 2 3 0 -5.99754497412435 2960397 CC1CC(N2C3=C(C(=C(C=C13)C)C)C4(C2=O)C(=C(OC5=NNC(=C45)C)N)C#N)(C)C 1 3.208 5 2 0 -4.62168961149919 2960371 CCC(C(=O)C1=CC=CC=C1)OC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4NC(=O)C 1 5.148 3 3 -5.30111667535388 2960366 C1CC12C3C=CC2C4C3C(=O)N(C4=O)CC5=CC=CO5 1 0.962 1 3 0 -5.63494055827019 2960363 COC1=CC=CC(=C1)NC(=O)CN2CCCCCC2.Cl Cl- 1 2.313 2 2 -4.65208946476549 2960352 CC1=CC(=CC(=C1)N2C(=O)CC(C2=O)N(C3=CC(=CC(=C3)C)C)C(=O)C4=CC=CO4)C 1 4.856 2 4 -6.3772271752065 2960347 CCC1=CC2=C3C(=C1)C(=CC(N3C(=O)C24C(=C(OC5=C4C(=O)NC(=O)N5)N)C#N)(C)C)C 1 1.735 5 4 0 -11.6695437510783 2960346 CCOC(=O)C1=C(SC=C1C2COC3=CC=CC=C3O2)N 1 2.472 1 4 1.81670291235419 2960340 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F 1 3.55 3 4 0 -2.81449833101289 2960325 C1CC(OC1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br 1 2.43 3 2 -10.75787517249 2960316 CC1=CC(N2C3=C1C=CC=C3C4(C2=O)C5=C(CCN4)C6=CC=CC=C6N5)(C)C 1 3.971 3 1 -5.53805687092859 2960307 C1CCC(C1)NCC2=C(C=CC(=C2)Br)OCC(=O)NC3=CC=CC=C3.Cl Cl- 1 4.138 2 2 -1.97772538401288 2960302 CC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2OCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4 1 2.801 3 4 0 -31.0625230288282 2960298 CC1=CC=C(C=C1)C2=NC(=S)C3=C(N2CC4CCCO4)CC(OC3)(C)C 1 3.259 2 2 -13.7148532005941 2960289 CC1=C(C(NC(=O)N1)C2=CC=CC=C2OCC(=O)NCCC3=CC=CC=C3)C(=O)C 1 1.887 3 4 0 -36.9354774660945 2960287 CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2F)[N+](=O)[O-])N 1 1.554 4 4 0 -3.70227255115349 2960285 C1C(OC(=O)C2=CC=CC=C21)C3=NC(=NC=C3)NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5 1 3.708 4 5 0 -12.7254569663289 2960284 CC1=CC(=C(C=C1C(=O)CSC2=NC(=C(C3(C2C(=O)N)CCCCC3)C#N)N)C)C 1 3.932 4 2 -7.65051417504207 2960278 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3CC3 1 1.233 3 2 0 -23.9778792313517 2960274 CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N 1 2.779 4 3 0 1.60990836680274 2960269 C1=CC=C2C(=C1)NC(=N2)SCC(=O)NCCCN3C=CN=C3 1 1.292 5 1 0 -9.12532496550453 2960264 C=CCOC1=CC=C(C=C1)CNCC2=CN=CC=C2.Cl Cl- 1 2.4 2 1 -5.88796697498582 2960261 C1CC(OC1)CNCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F 1 2.646 3 2 -6.81141817738553 2960253 CC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=N)N1N 1 0.717 4 1 0 -19.4118798286705 2960247 C1C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)N(C3=CC(=CC=C3)Cl)C(=O)C4=CC=CO4 1 4.24 2 4 -1.82768826734969 2960245 CC1=CC(=NC(=N1)SC2=NC=NC(=C2[N+](=O)[O-])N)C 1 1.703 6 2 0 -4.59511946960355 2960239 COC1=CC=CC(=C1OCC2=CC=CC=C2Cl)CNCCO.Cl Cl- 1 3.043 1 3 0.710527026805588 2960231 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3(CCCC3)C(=O)NC4=CC=C(C=C4)OC 1 4.605 2 5 0 -12.5476251095563 2960225 CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC=CS3 1 1.84 2 3 0 -7.54888099810902 2960222 CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=COC5=CC=CC=C5C4=O)C(=O)NC6=CC=CC=C6OC 1 3.792 2 7 0 -41.7679420437507 2960215 CCC(=O)N1C(CC(=N1)C2=CC=C(O2)C)C3=CC=C(C=C3)N(C)C 1 3.121 3 2 -7.74257428887415 2960213 CC1CCCCN1C(=S)NC2=CC=C(C=C2)CC(=O)OC 1 4.233 2 2 -15.3002884751004 2960211 C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)CNCCO)Cl.Cl Cl- 1 3.808 1 2 5.35116648793596 2960208 COC1=CC=C(C=C1)OC2C(N(C2=O)CC3=CC4=C(C=C3)OCO4)C5=CC=CS5 1 3.827 1 5 -5.91837498615505 2960203 CN(C1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CO2)OC)S(=O)(=O)C3=CC=CC=C3 1 2.183 2 6 0 -11.2173403572248 2960189 CCC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2 1 0.624 3 2 0 -17.5079943833354 2960184 CC1(C2(CCC1(C3=NC4=CC=CC=C4N=C32)C(=O)NC(C)(C)C)C)C 1 3.863 3 1 -8.61058083450858 2960181 CCOC1=C(C=CC(=C1)CNCCO)OCC(=O)NC2=CC=C(C=C2)C(=O)OCC 1 1.984 2 6 0 -13.0042378149504 2960179 COC1=C(C=CC(=C1)CNCCC2=CC=CC=C2)OCC(=O)N.Cl Cl- 1 2.093 2 3 -8.49329683515136 2960169 COC1=CC=C(C=C1)NC(=O)C2(CCCC2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC 1 4.805 2 5 0 -15.0572767373575 2960168 C1CCC(CC1)NC(=O)NCCCNC(=O)NC2CCCCC2 1 2.337 4 2 -11.8470392674886 2960157 COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 4.611 2 5 0 -8.25835969649856 2960152 CN(C)C1=CC=C(C=C1)CNCC2CCCO2.Cl Cl- 1 1.888 2 1 0 -4.62257091315853 2960151 COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-] 1 3.499 3 4 0 -2.64842298342573 2960150 C1=CC=C(C(=C1)COC2=CC=CC(=C2)CNCCO)Cl.Cl Cl- 1 3.059 1 2 1.38357119820325 2960141 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OC3CCCC3)C(=O)C 1 2.325 2 3 -28.7888960725825 2960136 C1CC(CN(C1)C(=S)NCC2=CC=CC=C2)O 1 2.727 2 1 -10.333616535278 2960130 CCC1(CC2=C(CO1)SC3=C2C(=O)NN=N3)C 1 2.475 3 2 -16.6130585719845 2960121 CCOC1=C(C=CC(=C1)CNCCO)OCC=C.Cl Cl- 1 1.761 1 3 0 -8.53874073304157 2960112 CCCCNCC1=CC(=C(C(=C1)Br)OCC(=O)N2CCOCC2)OC.Cl Cl- 1 2.365 2 4 -12.7770248830496 2960105 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(C3=CC=C(C=C3)OCCC)C(=O)C4=CC=CO4 1 4.624 2 6 0 -5.7543095571911 2960102 C1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 2.64 3 4 0 -10.7639891583198 2960101 CCC1(CC2=C(CO1)SC3=C2C(=O)N(N=N3)CC4=CC=CC=C4Cl)C 1 4.929 3 2 -19.0506524577124 2960099 COC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)C3CCCO3 1 1.665 3 3 0 -12.0840122773804 2960094 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4C 1 4.465 3 3 -5.45353127007381 2960075 CC1=C(SC=C1)C2C(C(=O)N2CC3=CC4=C(C=C3)OCO4)OC5=CC=CC=C5C 1 4.816 1 4 -2.40381033010689 2960074 C1CC(OC1)CNCC2=CC(=CC=C2)Br 1 2.474 1 1 -1.71029384634602 2960072 CC(C)(CO)NCC#CC1=CC=CC=C1.Cl Cl- 1 2.001 1 1 -0.32857093676142 2960062 CC(=O)NC1C(C(C(OC1OC(=O)CC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C 1 0.433 1 10 0 -30.9933071810988 2960053 CCSC1=NN=C(S1)NC(=O)C2=CSC3=C2CCC(C3)C 1 3.817 3 1 -17.6467605475545 2960040 CCOC1=CC=CC=C1CNCC2CCCO2.Cl Cl- 1 2.058 1 2 -3.64150279320026 2960025 CC(C)C1CC2=C(CO1)C=C(C(=O)N2)C(=O)O 1 0.296 1 4 0 -7.66823836491069 2960019 C1CC(OC1)CN2C(C(C2=O)OC3=CC=C(C=C3)Cl)C4=CC5=C(C=C4)OCO5 1 3.436 1 5 -7.64640925217063 2960001 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCCOC3=CC=CC(=C3)OC 1 1.702 3 5 0 -16.6343385188258 2960000 COC1=CC=C(C=C1)NC(=O)N(CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=C(C=C5)OC 1 3.167 3 7 0 -5.56327681914984 2959985 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC=C)C(=O)NC3=CC=C(C=C3)F 1 2.654 3 4 0 -8.94844787203631 2959948 C1CCC(CC1)C2=CC=C(C=C2)NNC(=O)C(C3=CC=CC=C3)(C4=CC=CS4)O 1 5.71 2 2 -4.70369141041376 2959932 CC1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)Br)[N+](=O)[O-] 1 2.768 3 3 -7.85614031927883 2959925 CC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)OCC#N)OC)C3=CC=CC=C3 1 1.872 3 4 0 -28.8439618020483 2959920 CC1CC(N2C3=C(C=C(C=C13)C)C4(C2=O)C(=C(OC5=C4C(=O)CC(C5)(C)C)N)C#N)(C)C 1 3.042 3 3 -13.8161421985482 2959916 CCOC1=C(C(=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)C)Br)OC(C)C(=O)OCC 1 2.544 2 6 0 -36.1305902735154 2959915 CC1=CC=C(C=C1)N(C2CCCCC2)C3=NC=NC(=C3[N+](=O)[O-])N 1 3.74 5 2 0 -1.98469559331241 2959898 C1CCC(C1)NC(=S)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4 1 4.749 4 2 -11.4709938404635 2959897 COC1=C(C=CC(=C1)CNCC2=CN=CC=C2)OCC(=O)NC3CCCCC3.Cl Cl- 1 2.685 3 3 -13.1163131431675 2959894 COC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CC4=C(C=C3)OCO4)OC 1 2.295 1 5 -10.0558188306211 2959893 CCC1=NC2=C(C(=O)N1CCN(CC)CC)SC3=NC4=C(COC(C4)(C)C)C=C23 1 3.343 4 2 -17.907780161807 2959881 CCOC1=C(C=C(C=C1)[N+](=O)[O-])CNCCC2=CC=CC=C2.Cl Cl- 1 3.499 2 3 -1.45287989514981 2959860 CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CCNC(=O)C3=CC=CS3 1 2.936 5 2 0 -26.7764152742457 2959849 CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5 1 4.559 4 1 1.11726227469153 2959845 C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)CNCCO)Cl.Cl Cl- 1 3.808 1 2 3.31238605656657 2959837 CN1CCN(CC1)CCN2C(C(=O)N(C2=O)C3=CC=C(C=C3)OC)CC(=O)NC4=CC=C(C=C4)OC 1 1.911 5 5 0 -15.0068628363863 2959831 CC1=CC=C(O1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.932 3 3 0 1.64941835614028 2959828 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)NC2CCCCC2 1 1.729 4 4 0 -15.3590103740427 2959819 C1CC2=CC3=C(C=C2C1)NC(=O)CC3C4=C(C=CC(=C4)F)F 1 4.027 1 1 -5.37398578629934 2959816 CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4 1 3.984 3 3 -17.6037947803074 2959810 CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2CNCCC3=CC=CC=C3.Cl Cl- 1 4.096 2 4 -8.42543186423346 2959805 C1CCCN(CC1)CC(=O)NC2=C(C=C(C=C2)Br)[N+](=O)[O-] 1 2.972 3 3 -5.24855105548501 2959786 CN1CCN(CC1)CC(=O)NC2CCCCC2.Cl Cl- 1 1.195 3 1 0 -5.49676981483468 2959784 CCOC(=O)C1=C(SC2=C1CC(OC2)C(C)C)NC(=S)NCCC3=CC=CC=C3 1 5.584 2 3 -19.8329083834078 2959777 CCOC1=CC=C(C=C1)NC(=O)NCCN2C(CCCC2C)C 1 3.089 3 2 -11.3663383764911 2959773 CCN(CC)C(=O)C(C)N(C#N)C1=NC(=NC(=N1)SC)N(C)C 1 1.514 7 1 0 -8.75793102326989 2959770 CCN1C(=NN=C1SCC(=O)NC2CCCC2)CCNC(=O)C3=CC=C(C=C3)Cl 1 3.191 5 2 0 -23.2261690056584 2959740 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3(CCCC3)C(=O)NC4=CC=C(C=C4)OC 1 4.821 2 4 -11.0813981788781 2959722 C1=CC=C(C=C1)CCNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 2.44 3 3 -8.03053119101184 2959710 C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NCC4=CC=CO4 1 3.603 2 2 -10.9381270901289 2959706 C=CCOC1=C(C=C(C=C1)Cl)CNC2CCCC2.Cl Cl- 1 4.034 1 1 1.02248131643193 2959704 C1=CC(=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])N)F 1 1.402 5 2 0 -1.33824857373687 2959700 CCOC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3CCCCC3 1 4.965 2 3 -15.5080312179622 2959690 CC1(C2(CCC1(OC2=O)C(=O)NCC3=CC=C(C=C3)Cl)C)C 1 3.199 1 3 -9.09681267198129 2959687 CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.222 4 5 0 -6.4061143343539 2959679 C1CCC2(CC1)NC(=O)C(=C(N2C3=CC=C(C=C3)F)S)C#N 1 3.595 3 1 -1.41288546746049 2959669 CC(C)(CO)NCC1=C(C=CC(=C1)Br)OCC=C.Cl Cl- 1 2.759 1 2 -6.95607985360634 2959664 CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCC2CCCO2 1 1.215 1 5 0 -14.3080642463353 2959663 CC1=C(C=C(C=C1)Cl)NC(=O)CC2C(=O)NCCN2 1 0.833 3 2 0 -16.8438540446813 2959659 CN(C)N1C(=O)CC(C1=O)NCCC2=CC(=C(C=C2)OC)OC 1 0.489 3 4 0 -10.3430242312426 2959658 CC1=CC=C(C=C1)C(=O)NCCCNC2=CC=CC=C2[N+](=O)[O-] 1 2.938 3 3 -10.1630001635554 2959655 CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=CC=C(C=C3)C4CCCCC4 1 5.149 3 3 -7.48623515952477 2959649 C1CC(=O)N(C1)CCCNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 0.556 4 4 0 -22.2988658590421 2959648 C1=CC=C(C=C1)COC2=CC=CC(=C2)CNCC3=CC=CS3.Cl Cl- 1 4.258 1 1 -0.760577240928803 2959631 C1COCCN1CCCNC(=O)CN2C=NC3=CC=CC=C32 1 0.5 4 2 0 -17.2850934174431 2959627 CN1N=C(N=N1)C(CNCC2=CC=C(C=C2)Cl)O.Cl Cl- 1 1.155 5 1 0 -1.58598371771228 2959620 COC1=C(C=C(C(=C1)CNC2CCCC2)Br)OC3CCCC3.Cl Cl- 1 4.887 1 2 -0.815610298513634 2959607 C1CN(CCC12C(=C(N3C4=CC=CC=C4NC3=C2C#N)N)C#N)CC5=CC=CC=C5 1 3.371 6 0 -3.17715730188604 2959606 C1=CC=C(C=C1)C(C2=CC=CC=C2Br)NC(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 5.376 2 4 -7.28784785328868 2959603 COC1=C(C=C(C=C1)Br)CNCC2CCCO2 1 2.458 1 2 -1.47003431699487 2959592 CNCC1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC=CC=C2OC)OC.Cl Cl- 1 2.703 2 4 -11.3706045043171 2959585 CCCCC1=NN=C(S1)NC(=O)C(C)SC2=NC(=O)C=C(N2)C 1 2.402 5 2 0 -22.2020570525654 2959578 CC(=O)C1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])N 1 1.577 4 4 0 -6.0175965435422 2959576 CC(C)(C)CNC1=C(C=CC(=C1)N2CCOCC2)[N+](=O)[O-] 1 2.848 3 3 -4.56253207587079 2959570 CC1=C(SC=C1)C2C(C(=O)N2CC3=CC4=C(C=C3)OCO4)OC5=CC=C(C=C5)OC 1 4.313 1 5 -3.19238587135939 2959562 C1CCN(CC1)C(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3 1 4.29 2 1 -11.8858315816217 2959559 CC1=CC(=C(C(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N)C)C 1 3.296 4 3 0 0.481995369217272 2959558 CCOC(=O)N1CCN(CC1)C(=O)COC2=C(C3=CC=CC=C3C=C2)Br 1 2.945 2 4 -3.04448152849094 2959553 CC1CCN(CC1)CC(=O)NC2CCCCC2.Cl Cl- 1 2.407 2 1 -10.1686199774231 2959547 CCSC1=NN=C(S1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C 1 2.749 3 3 -16.1996532558812 2959544 CCCOC1=CC=C(C=C1)C(CCNC(CC(=O)O)C2=CC=CC=C2)O 1 0.412 1 4 0 -6.89973746081279 2959515 CC(C)(C)NC(=O)COC1=CC=C(C=C1)CNCCC2=CC=CC=C2.Cl Cl- 1 3.247 2 2 -9.87153099247543 2959509 CC(C)C1CC2=C(CO1)C=C(C(=O)N2)C#N 1 0.545 2 2 0 -9.14464659525579 2959505 CCOC1=CC=CC(=C1OCC2=CC=C(C=C2)Cl)CNCCO.Cl Cl- 1 3.392 1 3 1.86353813385042 2959501 CCN(CC)CCNC(=O)CN1C2=CC=CC=C2N=C1C3=CC=CC=N3 1 2.65 5 1 -10.7737653773643 2959497 CC1=CC=C(C=C1)N2C(=C(C(=O)NC23CCCCC3)C#N)S 1 3.875 3 1 -2.12476249292574 2959486 CCCC1CC2=C(CO1)C=C(C(=N2)N3CCCCC3)C#N 1 2.935 3 1 -3.34745298183281 2959484 CN(C1CCCCC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N 1 2.747 3 3 -7.45519846787581 2959483 COC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)O 1 1.043 1 4 0 -11.201200084983 2959475 CCOC1=C(C=C(C=C1Cl)CNCC(C)C)OC.Cl Cl- 1 3.539 1 2 -6.0283598614215 2959465 CC1=CC(=C(C=C1)C)OCCCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 2.691 3 4 0 -14.7074852381767 2959439 C1CCC(C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(=O)N4CCOCC4 1 0.813 3 4 0 -16.6134788353539 2959436 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C 1 4.217 1 5 -17.6491667490295 2959428 CN1C=C(C(=N1)C(=O)NN2C(=O)C3C4C=CC(C3C2=O)C45CC5)Br 1 0.857 4 3 0 -6.50583445611503 2959424 C1CC(OC1)C2=NN=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 0.566 4 4 0 -13.823685129909 2959420 CCC1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC4=NC5=C(COC(C5)(C)C)C=C24 1 4.09 3 2 -15.8380172048881 2959419 CC(C)OC1=C(C=C(C=C1Cl)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C)Cl 1 5.501 2 2 -18.5823122040386 2959415 C1CCN(C1)CC(=O)NC2=C(C=C(C=C2)Br)[N+](=O)[O-] 1 2.06 3 3 -4.89408254131693 2959389 CC1(C2CCC1(C(=O)N(C2=O)C3=CC=C(C=C3)Cl)C)C 1 3.539 1 2 -2.76043463229186 2959387 CC1=NN2C=NC3=C(C2=NC1=O)C4=C(S3)CC(CC4)C(C)(C)C 1 3.268 4 1 -14.6600529884892 2959374 CC(=O)N1C(C2C(=N1)C3CCN2CC3)C4=CC=C(C=C4)Br 1 2.158 3 1 -0.246082026435198 2959366 COC1=C(C=C(C=C1)CCNC(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3)OC 1 3.422 2 7 0 -21.6852364509117 2959356 COC1=CC=CC(=C1OCC2=CC=CC=C2)CNCCO.Cl Cl- 1 2.378 1 3 8.52315137570064e-003 2959353 C1=CC=C(C(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N)F 1 2.043 4 3 0 1.14658529328277 2959350 CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC(=CC=C4)Cl 1 2.706 5 4 0 -6.66936687374584 2959346 CC1=NC2=C(C=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=CC=N4)N=C1C 1 4.095 6 0 -8.85358917862374 2959331 CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N)C 1 2.809 4 3 0 1.96967390893429 2959327 COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3)C(=O)OC 1 3.776 4 4 0 -13.5499851932553 2959319 CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC(=C2OC)C)Br)[N+](=O)[O-] 1 4.213 2 4 -3.83295912067194 2959311 C1CN(CCN1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)Cl 1 2.753 4 4 0 2.54694162073837 2959307 CC1CC2=CC=CC=C2N1C(=O)C3=CC4=C(C=C3)N=C(S4)C 1 3.617 2 1 -7.55969917406697 2959288 CC1=CC=CC=C1OC2C(N(C2=O)CC3CCCO3)C4=CC5=C(C=C4)OCO5 1 3.258 1 5 -8.90254022194566 2959283 CC1(C(CC(=O)O1)C(=O)NC(C)(C)C)C 1 0.688 1 3 0 -10.8141596637942 2959276 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=CC=C3)Cl 1 2.555 2 4 -13.1475249084095 2959270 CCCOC1=CC=C(C=C1)NC(=O)C(=O)NCCCN2C=CN=C2 1 0.964 4 3 0 -9.7589535467546 2959262 CCCNCC1=CC(=C(C=C1Br)OCC(=O)NC2=CC=CC=C2)OC.Cl Cl- 1 3.592 2 3 -7.80673441008326 2959256 CC(C)CCC(C(C)CC(=O)NC1CCCCC1)C(=O)O 1 3.868 1 3 -14.0968313744978 2959250 C1CCC(C1)N2C(CCC2=O)C(=O)NC3=CC=CC=C3C(=O)N4CCOCC4 1 1.11 3 4 0 -17.3810559500445 2959243 C1CCN(C1)CC(=O)NCC2=CC=CC=C2.Cl Cl- 1 1.424 2 1 0 -9.53535797502736 2959241 COC(=O)C1=CC=C(C=C1)COC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O 1 1.804 1 8 0 -17.3072365777204 2959240 C1=CC(=CC=C1C(=O)NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])F 1 3.599 3 3 -5.6941372229066 2959235 C1CC(OC1)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 0.385 2 4 0 -19.466256271351 2959227 C1COCCN1CCCNC(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3 1 1.484 3 5 0 -11.6837452857635 2959226 C1CCN(C1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.311 3 3 0 -6.33575792349817 2959218 C1COCCN1CCNC(=O)CN2C3=CC=CC=C3N=C2C4=CC=CC=N4 1 1.64 5 2 0 -12.8182773202919 2959217 CC1CC(N2C3=C(C(=C(C=C13)C)C)C4(C2=O)C5=C(C=C(C=C5)O)OC(=C4C#N)N)(C)C 1 3.838 3 3 -1.7327865613107 2959216 CC(C)NC(=O)CC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)O 1 4.045 1 2 -8.76544608213617 2959214 CC1=NC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N 1 0.861 6 2 0 -0.187218276147433 2959211 C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CN=CC=C4 1 2.39 2 1 -6.08912054474757 2959209 C1CC(OC1)CNC(=S)NCC2=CC=CO2 1 1.781 2 2 0 -13.9113273773535 2959207 C1CN(CCN1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-].Cl Cl- 1 4.417 4 3 0 -4.65260567741495 2959206 CC(C1=CC=C(C=C1)OC)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.376 2 5 0 -7.40420585874294 2959200 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCC3CCCO3 1 3.291 2 4 -11.6334871021503 2959185 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.148 3 4 0 -19.8875103373512 2959180 COC1=CC=C(C=C1)C2C(C(N3N2CCC3)C#N)C#N 1 0.684 4 1 0 1.17365528035452 2959173 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNCC2=CC=CS2)OC.Cl Cl- 1 2.649 2 3 -15.1368869064104 2959170 COCCNC(=O)C(=O)NCCN1CCNCC1.O H2O 1 -1.843 4 3 0 -16.734666945791 2959157 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N(C3=CC=CC(=C3)C)C(=O)C4=CC=CO4 1 3.884 2 4 -4.67475132297501 2959155 CN1CCN(CC1)CC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 0.808 4 3 0 -5.32985461502863 2959154 CCOC(=O)COC1=C(C=C(C=C1C2C(=C(NC(=O)N2)C)C(=O)C)Cl)OC 1 1.627 2 6 0 -33.0654120665916 2959153 CC1CCCCN1C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=C(C=CC(=C3)C)C 1 4.005 2 3 -11.3342146421041 2959128 CC1=CC=C(C=C1)N/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2 1 2.81 2 2 -6.9334212303709 2959123 CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=C(C=C4)F 1 2.248 5 4 0 -8.61848712467852 2959108 CC1=NC2=C(C=CC=C2S(=O)(=O)NC3CCS(=O)(=O)C3)C=C1 1 0.717 2 4 0 -15.2197681266346 2959107 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3CCCO3)CC=C)C 1 2.69 3 3 -35.7612066151294 2959103 COC1=CC=C(C=C1)CCNC(=O)C(=O)NCCCN2CCOCC2 1 0.504 3 4 0 -11.1554461474739 2959099 CCOC1=C(C=CC(=C1)CNCC2=CN=CC=C2)OCC=C.Cl Cl- 1 2.733 2 2 -10.305339549274 2959093 CC1=CC(=C(C(=C1C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCC3CCCO3)C)C 1 3.836 2 4 -14.4479577080096 2959091 C1CC(OC1)CNC(=S)NC2CC2 1 1.506 2 1 0 -13.986505021161 2959090 CCOC(=O)C1=C(SC=C1C2COC3=CC=CC=C3O2)NC(=O)C4=CC=CC=C4 1 4.003 1 5 -6.97177099754501 2959087 CC(C)NC(=O)C(=O)NCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)C(C)(C)C 1 1.874 4 3 0 -15.3123104951366 2959039 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl 1 3.467 3 2 -21.5839818919 2959070 CCNCC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OCC.Cl Cl- 1 4.28 1 2 -3.97138710665787 2959061 C1CC(=O)N(C1=O)CCNC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-] 1 1.55 4 5 0 -15.8074416838268 2959052 CC1=CC=C(C=C1)NC(=O)CN2CCCC2.Cl Cl- 1 1.903 2 1 0 -4.24136013614094 2959050 C1=C(C=C(C=C1Cl)Cl)NC2=NC=NC(=C2[N+](=O)[O-])N 1 2.518 5 2 0 1.53757762966981 2959049 C1=CC(=CC=C1SC2=NC=NC(=C2[N+](=O)[O-])N)Cl 1 3.06 4 2 2.15315291121479 2959029 COC1=CC=CC(=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3CCCCC3 1 3.227 5 3 0 -24.0710051634699 2959027 CCCN1CCN(CC1)CCCNC(=S)NC2=CC=C(C=C2)OC 1 3.526 4 1 -8.66922679546304 2959022 CC(=C1C2C=CC1C3C2C(=O)NC3=O)C4=CC=CC=C4 1 1.841 1 2 0 -4.83651638321853 2959000 C1CCCN(CC1)CC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 2.224 3 3 -7.32422970539345 2958991 C1CC(OC1)CNCC2=CC=C(C=C2)Br 1 2.474 1 1 -1.59594558906049 2958983 CCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)OC 1 3.355 2 2 -7.13159283852501 2958982 COCCNC(=S)N1CCCC(C1)CO 1 1.079 2 2 0 -12.4008420769227 2958977 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 4.095 3 5 0 -8.64700712951699 2958972 CC1=CC(=NC2=CC=CC=C12)OCCN3CCOCC3.Cl Cl- 1 2.851 2 2 4.66241956578779 2958957 CCC(=O)N1C(CC(=N1)C2=CC=C(O2)C)C3=CC=C(C=C3)Br 1 3.707 2 2 -4.71594896477612 2958956 CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.704 4 5 0 -21.3621292109084 2958954 CC(C)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC=CS3 1 2.077 3 2 -6.65793377000895 2958946 C1=CC=C(C=C1)CCNC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-] 1 4.222 3 3 -8.81259048743542 2958945 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCCCC3C(=O)O 1 2.988 2 4 -11.1011499245819 2958937 COC1=CC=C(C=C1)CNC(=O)C(=O)NCCCN2C=CN=C2 1 9.8e-002 4 3 0 -9.07931083741335 2958923 CCCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=O)C=C2 1 4.207 2 3 -15.1673779535581 2958916 COC1=CC=C(C=C1)NC(=S)NCCCN2CCCC2 1 3.157 3 1 -8.28884574592538 2958889 CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl 1 5.657 3 3 -16.4946502143386 2958885 C1=CC=C2C(=C1)C=CC=C2C(=S)NC(=O)NCCCO 1 2.148 2 2 -3.4282910196463 2958875 C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4 1 4.453 3 2 -8.51906037613339 2958864 CCOC(=O)C1=C(SC=C1C2COC3=CC=CC=C3O2)NC(=O)C4=CC=CO4 1 3.398 1 6 0 -5.19925226136125 2958857 CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C)N3CCOCC3 1 2.071 3 3 -5.58746545998412 2958851 CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC3=CC=C(C=C3)OC 1 7.755 3 1 -3.37176790157179 2958833 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)N(CC3=CC=CO3)C(=O)NC4=CC=C(C=C4)F 1 3.024 3 4 0 -5.94024244903853 2958821 CCC1=CC(=C(C=C1)OCC(=O)NNC(=O)C2=NC=CN=C2)Br 1 1.525 4 3 0 -10.2918384246134 2958814 C1COCCN1CC(=O)NCC2=CC=CC=C2 1 0.651 2 2 0 -12.2884327001075 2958808 CC1=C(C=CC(=N1)NC(=S)NC(=O)COC2=CC=CC=C2Cl)Br 1 4.213 3 2 -6.23282209101879 2958807 C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.239 3 5 0 -16.2633692497093 2958806 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 1.683 2 5 0 -15.3352082394488 2958791 C1C(CN(C1=O)C2=CC=CC=C2F)C(=O)NC3=CC=CC=C3C(F)(F)F 1 3.034 2 2 -3.9917813660067 2958784 CCOC(=O)N1C(CC(=N1)C2=CC=CC=C2)(C(C)(F)F)O 1 2.222 2 3 0.291434306567622 2958781 C=CCN1C(=NN=C1SCC2=C(C=C(C=C2)Cl)Cl)CNC(=O)C3=CC=CS3 1 4.95 4 1 -20.9469870834218 2958777 CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3C(=O)O)N4CCOCC4 1 3.382 3 5 0 -5.52631549098223 2958776 CC1=NC(=NC(=N1)N(C#N)C(C)C(=O)OC)C 1 4.3e-002 5 2 0 -7.44542890147979 2958771 CCCOC1=CC=CC=C1C2=NC(=NN2)SCCC(=O)O 1 3.163 3 3 -7.66744553794122 2958764 CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(C=C4)OC 1 3.67 5 2 0 -12.6110603682505 2958756 CC(C)(C)NCC1=C(C=CC(=C1)Br)OC2CCCC2.Cl Cl- 1 4.433 1 1 -2.76849049946052 2958737 CC1=CC(=NC(=N1)NC2=NC(=O)CC(N2C3=CC(=CC=C3)Cl)C(=O)O)C 1 2.296 5 3 0 -6.28808948831183 2958734 CC1CC2=CC=CC=C2N1C3=C(C(=NC=N3)N)[N+](=O)[O-] 1 2.485 5 2 0 -3.32320519663857 2958731 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3)[N+](=O)[O-] 1 3.713 3 6 0 -17.7191304251082 2958730 CCCCC1=NN=C(S1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)N 1 2.967 6 2 0 -23.114983271642 2958704 CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCN3C(=O)CCC3=O 1 2.036 4 5 0 -15.7160543173246 2958701 COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=C(C=C(C=C3)C#N)F 1 2.862 3 4 0 -10.1013718375082 2958699 C1CCN(C(C1)CO)C(=S)NC2=C(C=C(C=C2)Cl)Cl 1 4.783 2 1 -3.37333028199209 2958696 C1CN2CCC1C3=C2C(NC(=S)N3)C4=CC(=CC=C4)F 1 2.533 3 0 -5.72853070951956 2958694 CC1=CC(=C(C(=C1C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCCC3)C)C 1 4.144 2 3 -7.80337420768285 2958693 CC(C1=CC=CC=C1)N2C=NC3=CC=CC=C3C2=O 1 2.917 2 1 -3.53961290107052 2958680 COC1=C(C=CC(=C1)C=O)OCC(=O)NC2=CC=CC=C2N3CCOCC3 1 2.042 2 5 0 -14.4776957950231 2958677 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 3.69 5 5 0 -17.7540601232033 2958666 CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C(Cl)(Cl)Cl 1 2.374 3 2 -4.71750552735717 2958650 CCOC1=C(C=CC(=C1)CNCCC2=CC=CC=C2)OCC(=O)NC(C)(C)C.Cl Cl- 1 3.579 2 3 -14.9753166566957 2958647 C1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4COC5=CC=CC=C5O4 1 4.128 3 2 2.47842868920408 2958638 C1CCCN(CC1)CC(=O)NC2=CC(=CC=C2)Br.Cl Cl- 1 3.078 2 1 -3.13711211182368 2958637 CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)CC(=O)NC3=CC(=CC=C3)OC 1 1.675 6 3 0 -19.003098283469 2958588 CC(C)COC1=CC=C(C=C1)C(=O)NCC2(CCOCC2)C3=CC=C(C=C3)OC 1 3.922 1 4 -21.3769201854568 2958593 C=CCOC1=CC=CC=C1CNCC2=CN=CC=C2.Cl Cl- 1 2.4 2 1 -5.15937641249758 2958629 C1CCC2(CC1)C(C(=NC(=C2C#N)N)SCC3=CC=CC=C3)C(=O)N 1 2.801 4 1 -11.4221438343462 2958623 C1C2C(C3=CC=CC=C31)C4=CC=CC(=C4NC2C5=CC=C(C=C5)[N+](=O)[O-])C(=O)O 1 4.567 2 4 -5.00880211683271 2958618 CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2Br)NC(=S)N3)F 1 3.861 4 2 -4.56157634960489 2958578 CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N 1 2.881 4 2 0.331154220627974 2958564 CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C)C 1 3.146 2 4 -12.7236211471352 2958562 CCOC(=O)C1=C(C(=C(N=C1SCC(=O)NC2=NC=CS2)C)C)C 1 2.853 3 3 -14.7307981041396 2958557 COC1=CC(=CC=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCC3CCCO3 1 1.875 2 5 0 -14.743136519068 2958552 CCOC(=O)C1=C(NC(=O)C(C12CCCC2)C(=O)N)C 1 0.354 2 4 0 -12.6017592443402 2958541 C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NCC4=CC=CC=C4 1 4.421 2 1 -9.59945532036596 2958516 C1COCCN1C(=O)C2=C(N(N=C2)C3=CC=CC=C3Cl)NC(=O)C4=CC=CO4 1 2.127 4 4 0 -12.7147178177779 2958504 CCN1C2=C3C(=C(C=C2)S(=O)(=O)N4CCCC4C(=O)O)C=CC=C3C1=O 1 1.442 2 5 0 -12.9555462605946 2958500 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)COC3=CC4=C(CCCC4)C=C3 1 4.597 4 4 0 -20.2007501023676 2958444 C1=CC=C(C=C1)CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N 1 2.44 3 3 -4.3790730862612 2958453 C1=CC=C2C(=C1)C=CC=C2NC(=O)CC3C(=O)NC(=O)N3 1 0.768 3 3 0 -16.751006797977 2958488 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C(C)C 1 3.277 4 2 -14.4922549762308 2958469 CC1=CN=C(C=C1)NC2=NC(=CS2)C3=CC(=CC=C3)NC(=O)C 1 2.682 4 1 3.99997663047192 2958467 CC(C)C(C1=NN=C(N1C)SCC(=O)NC2=NC=CS2)NC(=O)C3=CC=CS3 1 2.382 6 2 0 -20.9554685959603 2958466 CCCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N3CCCN=C3S2 1 2.268 3 3 -10.0851480838995 2958439 CC1=CC(=C(C=C1)C)C(C2=CC=CC=C2)NC(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 5.6 2 4 -7.0434976225547 2958428 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC=NN2 1 1.389 4 2 0 -17.0799681373995 2958421 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC=C)C(=O)NC3=CC=CC=C3 1 2.448 3 4 0 -9.81697903587491 2958418 CCNC(=S)N1CCCCC1CO 1 1.948 2 1 0 -8.26743024985964 2958417 C1CC(OC1)C2=NN=C(S2)NC(=O)C3=CC=CS3 1 1.635 3 2 0 -11.7511637423204 2958410 C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl 1 3.906 3 1 7.73079372582625 2958391 CC(C1=CC=CC=C1)NCC2=CC3=C(C=C2)OCO3.Cl Cl- 1 3.096 1 2 1.89203304985215 2958380 CCN1C(=NNC1=S)C(C)NC(=O)C2=CC(=CC=C2)C 1 2.48 4 1 -11.8865236017606 2958377 CC1=CC(=C(C=C1)C)NC2=NC=NC(=C2[N+](=O)[O-])N 1 2.162 5 2 0 -0.29571335205284 2958373 COC(=O)C1=NNC2C1C(=O)N(C2=O)C3CCCCC3 1 0.454 3 4 0 -11.1573626507821 2958367 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)N(C3=CC=C(C=C3)F)C(=O)C4=CC=CO4 1 3.322 2 4 -4.31823195488691 2958366 CCC1=CC=C(C=C1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C 1 3.785 1 3 -6.977167305249 2958361 CC1=CC=C(C=C1)C(=O)NC(C)C2=NN=C(N2C)SCC(=O)NC3CCCC3 1 2.9 5 2 0 -23.1518638535646 2958360 C1=CC=C(C=C1)COC2=CC=C(C=C2)CNCCCCO.Cl Cl- 1 3.037 1 2 -0.238590322178615 2958357 CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NCC4CCCO4 1 2.494 3 2 -27.0151349384202 2958354 CCC(CO)NCC#CC1=CC=CC=C1.Cl Cl- 1 2.319 1 1 2.20871725281013 2958352 C1COCCN1CC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)CN4CCOCC4 1 1.018 4 5 0 -5.71994105537053 2958342 COC1=CC=C(C=C1)NC(=O)CSC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC 1 1.966 2 6 0 -10.5548115282328 2958340 CN1C=C(C(=N1)C(=O)NN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)Br 1 0.902 4 3 0 -8.62214525353274 2958335 CCC(CCC(=O)NNC(=O)CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O 1 1.356 3 6 0 -13.4463069828586 2958327 CN(C1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CN=CC=C3 1 2.956 4 3 0 -6.09233062120282 2958319 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2 1 3.065 3 6 0 -25.1926865592107 2958313 CN1N=C(N=N1)C(CNCC2=CC=CS2)O.Cl Cl- 1 0.23 5 1 0 -5.27168195236538 2958292 CCOC(=O)C1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F 1 3.499 3 3 -6.60647196079857 2958281 CC(C1=NN=C(N1C)SCC2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=CC=CS3 1 4.818 4 1 -15.9471704771305 2958280 CC1=CC=CC(=C1)C2CC(=O)NC3=CC(=C(C=C23)OC)OC 1 3.013 1 3 -6.34654311209428 2958279 CC(C)CC(C1=NN=C(N1C)SCC2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=CS3 1 6.049 4 1 -16.6948031862895 2958278 COC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=CC=CC=C2 1 2.248 2 3 -8.86559896789644 2958276 C1C(CC(=O)C2=CN=C(N=C21)NCC3=CC=CO3)C4=CC=CC=C4 1 2.486 3 2 -11.8866846864022 2958227 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)N(CC3=CC=CS3)C(=O)NC4=CC=CC=C4 1 3.836 3 3 -4.18039365593115 2958251 COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3)C(=O)OC 1 2.308 3 6 0 -28.7731681329904 2958242 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4 1 1.948 3 7 0 -26.9688199608469 2958238 CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC(=CC=C3)OC 1 2.713 5 3 0 -21.2177966160837 2958236 C1CN(CCN1CCNC(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.615 5 3 0 -6.70222422295438 2958213 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OCC(=O)O)OC)C(=O)OC(C)(C)C 1 1.445 2 7 0 -38.9924578657254 2958193 CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3F 1 3.311 5 2 0 -31.3232171195479 2958187 C1CCN(C(C1)CO)C(=S)NCC2=CC=CO2 1 2.365 2 2 -9.74030025840247 2958182 CC(C1=NN=C(N1CC=C)SCC(=O)NC2CCCCC2)NC(=O)C3=CC=CS3 1 3.44 5 2 0 -28.5173259120567 2958159 CC1=C(C=C(C=C1)NC(=S)N2CCCCC2CO)C 1 4.427 2 1 -7.01427020883424 2958144 CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)CCO 1 0.579 5 4 0 -3.23017885801433 2958137 CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(C)NC(=O)C3=CC=C(C=C3)C 1 4.265 5 3 0 -19.4732162960067 2958136 CC1=C(C(=CC=C1)OCC2=NN=C(N2CC=C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C 1 4.728 5 2 0 -13.4101083693566 2958116 CCOC(=O)C1=C(OC2=C(C13C4=CC=CC5=C4N(C3=O)C(CC5C)(C)C)C(=O)OC(=C2)C)N 1 2.104 2 6 0 -10.0465506640113 2958111 COC1=C(C=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3)OC 1 3.077 2 5 0 -17.2283624174185 2958110 CC1=CC=C(O1)CCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4Cl 1 4.896 4 2 -14.1395553199463 2958108 COCCCNC(=S)NC1=CC2=C(C=C1)OCCO2 1 2.229 2 3 -16.2872689070409 2958101 CCN1CCN(CC1)C(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC 1 3.81 3 4 0 -14.0371093278999 2958099 CCOC(=O)C1=C(OC2=C(C13C4=CC=CC5=C4N(C3=O)C(C=C5C)(C)C)C(=O)OC(=C2)C)N 1 1.989 2 6 0 -9.73575094484875 2958087 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3 1 3.666 3 3 -25.388351551774 2958086 C1CCN(CC1)C2=NC(CC(=O)N2)C(=O)NC3=CC=CC=C3 1 1.243 4 2 0 -6.54937940808178 2958074 CC1=CC(=C(C=C1)OC)NC(=S)NC(C)C2=CC(=C(C=C2)OC)OC 1 4.91 2 3 -11.2758913351127 2958073 CC1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)CSCC3=CC=CC=C3 1 3.417 2 2 -8.11552977210253 2958069 CCCCC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 3.556 3 3 -10.8672531411719 2958065 COC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.153 3 7 0 -25.7547428470339 2958055 CC1CC(N2C3=C(C=C(C=C13)C)C4(C2=O)C5=C(C=C(C=C5)O)OC(=C4C#N)N)(C)C 1 3.351 3 3 -2.67424261153843 2958050 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CO3 1 2.191 2 4 -18.6776001967926 2958045 CCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)C)[N+](=O)[O-].Cl Cl- 1 5.079 3 3 -7.76606423621567 2958039 CN(C)CCNC(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)O 1 -1.282 3 3 0 -7.58219623375839 2958036 CC1CC(N2C3=C1C=CC=C3C4(C2=O)C(=C(OC5=C4C(=NN5C6=CC=CC=C6)C)N)C#N)(C)C 1 3.741 5 2 0 -4.07129013365949 2958029 CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 4.24 6 3 0 -17.17790869301 2958025 CC1C(C(=O)N(C1=O)C2=NC(=CC(=N2)C)C)CC3=CC=C(C=C3)C 1 3.197 3 2 -0.731484308835262 2958024 CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C)C)S(=O)(=O)C 1 3.223 3 3 -10.9319803990958 2958023 COC1=C(C=C(C=C1)NC(=O)NC2CCCC3=CC=CC=C23)OC 1 3.512 2 3 -9.36285365495332 2958007 CC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C2=CC=CC=C2 1 2.073 3 2 -22.5555578631027 2958006 CCN1C(C(=O)N(C1=O)CC)CC(=O)NCC2=CC=C(C=C2)Cl 1 1.64 3 3 0 -18.815320760784 2958003 CC(C1C(C(=O)OC1(C)C)C(=O)OC)C(=O)C2=CC=CC=C2 1 2.425 0 5 -5.90978716358464 2957998 CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)[N+](=O)[O-] 1 1.924 5 4 0 -12.3674939206792 2957997 CCN1C(C(=O)N(C1=O)CC)CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.751 4 3 0 -21.377768814818 2957994 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NCC3=CC=CO3 1 1.433 2 5 0 -19.9549979994794 2957993 CC(=O)OC1=C(C=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N(N4)C5=CC=CC=C5)OC 1 2.418 3 5 0 -24.2178874134131 2957988 CN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC(=CC=C3)N4C=CC=C4)O 1 2.716 2 3 -4.70643791633686 2957979 CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NN3CCN(CC3)C 1 3.389 4 2 -16.9042707927081 2957973 CC1=NN(C(=N1)C)CC(COC2=CC3=C(C=C2)C=C(C=C3)Br)O 1 2.79 3 2 1.90425827113405 2957949 CC1CC2=CC=CC=C2N1C(=O)C3=CC(=NC=C3)C(C)(C)C 1 3.951 2 1 -9.25754894311632 2957948 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)C3COC4=CC=CC=C4O3 1 1.489 2 5 0 -10.7954886107895 2957947 COC(=O)C1=CC=CC=C1NC(=O)CC(C(=O)O)NCC2=CC=CC=C2 1 -0.981 2 5 0 -16.4710630856284 2957946 CCSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.658 3 3 -8.39703758423809 2957944 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=CC3=CC=CC=C32 1 2.804 3 3 -10.0073506088732 2957942 CC1=CC(=CC=C1)CC2CC(=O)N(C2=O)C3=NC(=C(S3)C)C(=O)C 1 2.738 2 3 -5.15070460126672 2957940 CCNC(=S)N=C(N)NC1=NC2=C(C=C(C=C2)C)C(=N1)C 1 3.071 6 0 -2.80527262009511 2957932 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)N4CCOCC4)C 1 2.708 3 3 -5.70625643494501 2957922 CCCN1CCC(CC1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.39 4 2 -7.43798850135884 2957917 C1CNC(=O)C(N1)CC(=O)NC2=CC3=C(C=C2)OCO3 1 -0.55 3 4 0 -20.2251258128182 2957916 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)N2CCCCCC2 1 2.403 3 4 0 -10.9918021988758 2957914 CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C(=O)OC(C)C 1 5.408 3 7 0 -19.1468007417565 2957910 C1CCC2(C1)C3=C(CCCC3=O)NC(=N2)NC4=NC5=CC=CC=C5S4 1 3.411 4 1 -5.1723446630805 2957908 CCCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.037 2 5 0 -17.1386631603866 2957897 CC(CCC1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)C(=O)C 1 4.99 2 1 -12.2492697959446 2957887 COC1=CC=C(C=C1)NC(=O)CC(C(=O)O)N2CCCCC2 1 -1.313 2 4 0 -11.4813198172779 2957883 COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 1.036 3 5 0 -20.2502070816002 2957881 COCCCNC(=S)N1CCN(CC1)S(=O)(=O)C 1 0.132 3 3 0 -27.1935959208485 2957876 COC1=CC=CC(=C1)CN2CCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.571 4 4 0 -3.39604980864417 2957874 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 1.386 3 3 0 -17.4988558560441 2957869 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=C(C=C(C=C3)OC)OC 1 2.211 2 6 0 -18.5777268490616 2957863 COC(=O)CC1C(=O)NCCN1C(=O)NC2=CC(=CC=C2)Cl 1 0.785 3 4 0 -23.0764961162795 2957862 COC1=CC=CC=C1NC(=O)CC(C(=O)O)NC2CCCCC2 1 -0.578 2 4 0 -13.9323187975617 2957852 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NCC3=CC=C(C=C3)Cl 1 4.965 4 2 -7.16285466897331 2957844 CC1(CC2=C(C(=O)C1)C3(C4=CC=CC5=C4N(C3=O)CCC5)C(=C(O2)N)C#N)C 1 1.722 3 3 0 -15.9479857108482 2957833 COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NCCN2)C(=O)OC 1 -0.607 3 6 0 -22.5592795971964 2957832 CC(C)C1=NN(C(C1)(C(F)(F)F)O)C(=O)C(=O)NC2=CC=CC=C2OC 1 2.155 3 4 0 -7.69503804900375 2957828 CCOC1=CC=CC=C1C2CC(=O)NC3=CC(=C(C=C23)OC)OC 1 2.859 1 4 -12.8966341908977 2957826 COC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.45 3 6 0 -21.235958695457 2957824 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 1.512 3 4 0 -12.757535349708 2957821 COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC 1 6.168 3 2 -19.6890114877555 2957817 CCC(C)C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2OC 1 5.729 2 1 -9.5452601056308 2957814 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 1.865 3 6 0 -16.8936014094043 2957812 CC1(CC2=C(C(=NC(=C2CO1)N3CCOCC3)SCCO)C#N)C 1 1.95 3 3 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C1CC(OC1)CNC(=O)COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)Cl 1 2.391 2 5 0 -17.1970829065184 2957753 CCSC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC 1 3.383 2 4 -14.5229022723048 2957748 CC(CNC(=O)C1=CC=CS1)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.109 2 3 -9.40249905909158 2957746 CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3)C 1 3.919 4 2 -31.1186750406093 2957739 CCC(C)C1=CC=C(C=C1)NC(=S)NCCN2C=C(C=N2)Cl 1 5.125 4 0 -8.88402377863089 2957725 CC1=C(C=CC(=C1)S(=O)(=O)N2CCN=C2C3=CC=CC=C3)F 1 3.166 2 2 -7.3669954545712 2957723 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CN=CC=C2 1 1.25 4 4 0 -9.71482998802476 2957716 CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCC4CCCO4 1 4.848 2 1 -12.7633655564511 2957707 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=CC=N2 1 3.038 4 3 0 -14.3346089923495 2957705 CC1CN(CC(O1)C)C(=S)NC2=C(C=C(C=C2)F)F 1 3.901 2 1 -11.2965721501173 2957703 CN=C(C1=CC=C(C=C1)[N+](=O)[O-])NC2CCCCC2 1 3.051 3 2 -6.8583715008679 2957700 COCCCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.649 4 3 0 -13.4503482751865 2957697 CCC1=CC=C(C=C1)NC(=S)N2CCNC(=O)C2CC(=O)OC 1 2.959 3 3 -29.1114713942689 2957695 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3CCCO3 1 0.752 3 3 0 -13.962496990224 2957684 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NCCCN2C=CN=C2 1 1.541 4 2 0 -13.2967877701059 2957683 C1=CC(=CC=C1CCNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])F 1 4.516 3 2 -9.2380918330994 2957681 CCCN(CCC)C(=O)CC(C1CCOC(C1)(C)C)C2=CC=CC=C2 1 4.249 1 2 -13.0479179147409 2957677 CC(C1=CC=CC=C1)NC(=S)NNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 2.978 4 4 0 -14.3223350903126 2957676 CNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-] 1 2.406 3 2 -9.61416823898802 2957657 CC1=CC(=C(C=C1)C)C2CC(=O)NC3=CC(=C(C=C23)OC)OC 1 3.499 1 3 -9.12164801149812 2957649 C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O 1 3.021 1 3 -8.99849915254381 2957648 CCOC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC=C(C=C2)Br 1 4.058 3 3 -9.11177074953556 2957642 CC(C1=CC=CC=C1)N(CCC(C2CCOC(C2)(C)C)C3=CC=CC=C3)C(=O)C4=CC=CO4 1 5.73 1 3 -8.78587015569917 2957636 C1C(CN(C1=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N 1 1.565 3 5 0 -8.48645449497079 2957625 CCC(C)C1=CC=C(C=C1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3 1 5.857 3 0 -3.24527876434702 2957605 CCOC(=O)C1CC=C(CC1C(=O)NC2=NC=CS2)Cl 1 1.622 2 3 0 -7.05524442197955 2957599 CCC(=O)N(CCC(C1=CC=CC=C1OC)C2=CC=CO2)CC3=CC=CS3 1 4.383 1 3 -13.1504846568646 2957596 COC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CC=C(C=C3)Cl)OC 1 3.191 1 3 -6.30271333113381 2957594 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3 1 2.275 4 5 0 -14.0100088464354 2957593 CC(C(=O)NC1CCCC1)NS(=O)(=O)C2=CC=CC=C2 1 1.687 2 3 0 -15.8223977053193 2957592 C1CC(OC1)CNC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl 1 4.864 2 1 -8.40883901835103 2957591 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.892 3 4 0 -25.1533119682767 2957590 CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NC(=O)C=C(N2)N 1 2.019 4 2 -11.2415188899381 2957588 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CC=C(C=C2)C(=O)C 1 2.643 3 4 0 -11.5175346837239 2957586 C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)OC(F)F)Cl)[N+](=O)[O-] 1 3.887 3 4 0 -3.20317806202119 2957580 CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)F 1 1.639 3 3 0 -7.83555024620544 2957574 C1CCN(CC1)CC(CS(=O)(=O)C2=CC3=CC=CC=C3C=C2)N4CCCCC4 1 4.404 2 2 -5.70680420221187 2957568 CC(C)C(C(=O)NC1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2 1 2.985 2 3 -19.0913940039861 2957564 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3CCCO3 1 3.342 3 4 0 -14.4634095029319 2957563 C1COCCN1C(CC(=O)NC2=CC=C(C=C2)Cl)C(=O)O 1 -1.861 2 4 0 -9.94772562247334 2957540 CCC1=CC(=C(S1)N2C(=O)C3C4CC(C3C2=O)C=C4)C(=O)OC 1 2.141 1 4 -5.51252164788772 2957528 C1CN=C(N1)C2=CC(=CC(=C2)Cl)[N+](=O)[O-].Cl Cl- 1 1.676 3 2 0 -4.28836796213396 2957522 C1=CC=C(C=C1)CCN=C(C2=CC(=CC=C2)[N+](=O)[O-])N.Cl Cl- 1 2.891 3 2 -4.6856411216142 2957518 CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C 1 0.168 5 5 0 -18.2913138352897 2957513 C1CNC(=O)C(N1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 1.242 3 3 0 -15.5302929549757 2957496 CC(C1=C(C=CC(=C1)OC)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 3.67 5 4 0 -16.9220741890537 2957492 CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC 1 4.653 3 7 0 -18.447014243651 2957485 CC(C)C(C(=O)NCCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2 1 3.329 2 2 -21.2484311635494 2957472 CC(C)CNC(CC(=O)NCC(C)C)C(=O)O 1 -1.612 2 3 0 -14.4400603525582 2957471 CC1=CC=C(S1)C(=O)CC2(C3=CC=CC=C3NC2=O)O 1 1.733 1 3 0 -10.1124374429265 2957468 C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 4.688 6 2 0 -12.686106846218 2957464 CCCCCC1=NN=C(S1)NC(=O)C2CCCO2 1 2.053 3 2 -19.9310711962736 2957460 COC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC 1 2.643 4 5 0 -8.55712297458311 2957453 C1COCCN1C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)Cl 1 2.4 3 3 -4.00594480889888 2957446 CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C 1 3.706 3 2 -22.6334752502407 2957441 C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)NN=C3C(=O)OCC4=CC=CC=C4 1 1.762 3 4 0 -9.1150960132177 2957440 CC1=CC=CC=C1C2=NC(=NN2)NC3=NC(=CC(=N3)C)C 1 2.742 6 0 -8.89100714027283e-002 2957436 C1CC2=C(C(N3C4=CC=CC=C4N=C3N2)C5=CN=CC=C5)C(=O)C1 1 2.211 4 1 -16.2680607988445 2957435 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3 1 1.965 2 5 0 -16.2097971699646 2957432 COC1=CC=CC=C1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.337 1 3 -0.833671075444679 2957415 CC1=CCC2C(C1)C(=O)N(C2=O)C3=NC(=C(S3)C)C(=O)C 1 1.768 2 3 0 -7.41851317732433 2957413 COCCCNC(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)O 1 -2.633 2 6 0 -19.322585386354 2957405 CCCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CO4 1 2.715 3 5 0 -15.7463713227852 2957402 C1CC(OC1)CNC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 4.124 3 1 -6.16579871254026 2957400 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 3.192 3 5 0 -13.8824985335389 2957399 C1CN(CCN1C2=CC=CC=N2)C(=O)NC3=CC=CC=C3C(F)(F)F 1 3.112 4 1 -3.04855748803574 2957397 CCC1CCCCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 4.096 5 2 0 -17.0239440030941 2957393 CN1CCN(CC1)NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC 1 0.495 5 4 0 -7.74276468311848 2957392 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.311 2 5 0 -15.8533996210481 2957389 CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NCC2=CC=CC=C2OC 1 2.338 2 4 -16.9417311776802 2957386 C1CC(OC1)CNC(=S)N2CCN(CC2)CC3=CC=CC=C3Cl 1 3.757 3 1 -12.2813872531826 2957378 CC1CC2=CC=CC=C2N1C(=S)NC3=CC(=C(C=C3)OC)OC 1 5.139 2 2 -14.6391865602666 2957372 CC1CC(N2C3=C(C=C(C=C13)C)C4(C2=O)C(=C(OC5=NNC(=C45)C)N)C#N)(C)C 1 2.722 5 2 0 -5.5091084246349 2957371 CCN1C2=CC(=C(C=C2N(C1=O)CC)[N+](=O)[O-])N3CCNCC3 1 1.28 5 3 0 -7.07857931307238 2957363 C1CC(OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.801 3 3 -27.5935984904884 2957355 C1CCC2(C1)C(CC(=O)O2)C(=O)NC3=CC=C(C=C3)Br 1 2.757 1 3 -4.16849355874738 2957350 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NN2C=NN=C2 1 1.9e-002 6 4 0 -11.2665297490323 2957329 CCC1=CC=C(C=C1)C(=O)NC(CC(C)C)C(=O)O 1 3.177 1 3 -16.1810663270602 2957326 C1=CC(=CC=C1NC(=O)NC2=NOC=C2)[N+](=O)[O-] 1 1.41 4 4 0 -5.70811586859219 2957321 C1CCN(C1)CC(COC2=CC3=C(C=C2)C=C(C=C3)Br)O 1 3.559 1 2 0.795410248676197 2957318 C1=CC=C(C=C1)CC(=O)CC2(C3=CC=CC=C3NC2=O)O 1 1.659 1 3 0 -8.97701968056257 2957317 C1OC2=C(O1)C=C(C=C2)C(=O)CC3(C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)O 1 3.191 1 5 -9.27188091621302 2957314 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 1.633 3 4 0 -16.1567075299201 2957313 COC1=CC(=C(C=C1)NC(=O)NC2=CC=C(C3=NON=C23)N4CCOCC4)OC 1 1.909 5 5 0 -9.93450967190392 2957311 COC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC 1 2.261 1 4 -22.6140953296856 2957307 CN(C1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4 1 3.55 3 4 0 -10.6657604102928 2957302 C=CCN1C(=O)C2=CC=CC=C2C1(CC3=CC=CC=C3)O 1 2.899 1 2 -2.94902756610885 2957265 COC1=CC(=C(C=C1)OC)N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.896 2 8 0 -23.8056963420744 2957296 COC(=O)COC1=C(C=C(C=C1)S(=O)(=O)NCC2CCCO2)Cl 1 1.454 1 6 0 -16.4817449833361 2957288 CC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N(C)C(=O)C.Cl Cl- 1 4.887 3 1 -7.53443862989142 2957287 C1CCN(CC1)CC(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3CCCCC3 1 3.39 3 4 0 -8.54551755782663 2957285 C1=CC=C2C(=C1)C=CC=C2CN3C4=CC=CC=C4C(C3=O)(CC(=O)C5=CN=CC=C5)O 1 3.181 2 3 -6.65903305201759 2957284 CCCCC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)OCC 1 2.755 2 4 -17.2999093832154 2957283 C1CC(OC1)C(=O)NCC2=CC=CC=C2Cl 1 1.954 1 2 0 -16.202256840989 2957281 CN1CCN(CC1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 0.511 5 3 0 -2.89505991070189 2957276 C1=CC(=CC=C1NC(=O)NC2=NC=C(C=C2)[N+](=O)[O-])F 1 2.011 4 3 0 -5.5284408241518 2957275 CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=NC=NN4 1 3.882 5 2 0 5.00751970666903 2957272 COC1=CC=C(C=C1)C(=O)NCCNC2=CC=CC=C2[N+](=O)[O-] 1 2.373 3 4 0 -10.3670664351848 2957245 CCOC1=CC=CC=C1NC(=O)NC2CCCC3=CC=CC=C23 1 3.878 2 2 -9.65335222429712 2957235 CCCCC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)O 1 3.701 1 3 -17.1209455418997 2957234 CC1=CC=C(C=C1)C2=C(SC=C2C(=O)NNC(=S)NCC3CCCO3)C 1 3.59 3 2 -11.3522543726913 2957233 CC1=NC2=C(C=C(C=C2)F)C(=C1)C(=O)NC(C)C3=CC=CC=C3 1 3.673 2 1 -5.11031661031227 2957231 CC1=CC(=C(C=C1)NC(=S)NCCCOC)[N+](=O)[O-] 1 2.824 3 3 -13.3430915461263 2957230 CC1=C(CC2C(C1)C(=O)N(C2=O)CCC3=CC(=C(C=C3)OC)OC)C 1 3.199 1 4 -5.89030860197013 2957225 CC1=CC(=C(C=C1C)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC=C2 1 3.184 2 4 -4.76764083846301 2957211 CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3 1 4.248 3 2 -23.5924994081587 2957207 CCCCC(=O)N1CCCC(C1)C(=O)OCC 1 1.97 1 3 0 -13.1930479628741 2957206 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)C3=CC(=CC=C3)[N+](=O)[O-] 1 0.579 4 7 0 -24.0233112478146 2957197 C1C(CN(C1=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=C3)C(=O)N 1 0.73 3 4 0 -15.9039152778046 2957192 CCC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)O 1 2.273 1 3 -19.144505885588 2957171 CCC(C)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)OC)C 1 6.487 2 1 -7.17969997075696 2957169 COC(=O)CC1C(=O)NCCN1C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 1.45 3 4 0 -24.2052766797716 2957167 CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4=NCCS4)C 1 3.406 2 1 -11.1664655680324 2957157 CC1(C(=O)C2(CCCCC2)C(OC1=O)C3=CC=CN3C4=CC(=CC=C4)[N+](=O)[O-])C 1 5.189 2 5 0 -6.56696900136501 2957151 CC1CN(CC(O1)C)C(=S)NC2=C(C=CC(=C2)C)OC 1 3.96 2 2 -14.0028764684621 2957138 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC(=CC(=C3)OC)OC 1 2.211 2 6 0 -17.9334927939039 2957132 CC(C)OC1=CC=C(C=C1)C(CC2=CC=CC=C2)CC(=O)O 1 4.4 0 3 -4.04350651212936 2957131 CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=NC=C(C=C2)Cl 1 4.153 2 2 -2.89868979320269 2957128 CC1CN(CC(O1)C)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.196 3 3 -19.2489914367876 2957121 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC=C2SCC 1 2.945 1 3 -14.9292601625426 2957119 CC1CN(CC(O1)C)C(=S)NC2=CC=CC=C2C(F)(F)F 1 4.433 2 1 -12.4681254548398 2957116 C1CCC(CC1)C(=O)NC(CCCCNC(=O)C2=CC=CC=C2)C(=O)O 1 3.072 2 4 -19.9720222422893 2957115 CCCNC(=O)C1=CC=CC=C1NC(=O)C2COC3=CC=CC=C3O2 1 2.468 2 4 -12.2615311498805 2957113 CC(C1CCCO1)NC(=O)NC2=CC=CC=C2C(F)(F)F 1 2.624 2 2 -13.4947011184616 2957109 CC1(C(OC(=O)C2(C1=O)CCCCC2)C3=CC=C(C=C3)O)C 1 3.992 0 4 -2.16198964917829 2957105 CC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=C(C=C3)OC 1 3.416 4 3 0 -28.3420618498321 2957104 CC(C(=O)N)NS(=O)(=O)C1=CC=C(C=C1)Br 1 0.827 2 3 0 -9.21941896162575 2957102 CC(C1=CC(=C(C=C1)OC)OC)NC(=S)NCC2=CC=C(C=C2)F 1 4.375 2 2 -10.3641094417966 2957094 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O 1 3.337 3 6 0 -24.7138610402841 2957085 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)C4=NC=CS4)[N+](=O)[O-] 1 2.239 3 4 0 -2.30956852186229 2957073 CCC(C)C1=CC=C(C=C1)NC(=S)NCCN2C=C(C=N2)Br 1 5.209 4 0 -8.02484049461477 2957057 CC1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)NC4=O)C5=CC=C(C=C5)C 1 3.845 1 2 -3.11713213089405 2957053 CC1=C(C=CC(=C1)OC(F)F)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.709 3 4 0 -7.32946831779664 2957046 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.302 4 4 0 -18.5644658457083 2957039 CC(=O)C1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCC2=CCCCC2 1 -0.352 2 4 0 -16.4557093840528 2957037 CC1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2)NC3=CC=C(C=C3)F 1 5.446 1 1 -4.88226300398875 2957027 COC(=O)C1=C(C=CC(=C1)NC(=O)C2COC3=CC=CC=C3O2)Cl 1 2.907 1 5 -6.17171180189884 2957025 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC23CC4CC(C2)CC(C4)C3 1 1.169 4 4 0 -13.5058763706658 2957014 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.186 3 6 0 -13.6597944699309 2957013 C1C=C(CC2C1C(=O)N(C2=O)CCC3=CC=CC=C3)Cl 1 2.573 1 2 -3.69993142365171 2956997 CCCC1=CC(=CS1)C(=O)NNC(=S)NCC2CCCO2 1 2.709 3 2 -15.1130562186435 2956995 CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCCCC4 1 4.204 4 0 3.08942918600112 2956985 COC1=CC=CC=C1OCCCC(=O)NC2=NN=C(S2)C3CCCO3 1 2.07 3 4 0 -17.2047323741207 2956983 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C 1 1.494 6 4 0 -20.3526659237383 2956977 CC(C)(C)C1=CC=C(C=C1)C2CC2C(=O)NNC(=S)NCCCOC 1 3.129 3 2 -10.6327675399007 2956975 CCN(CC)C1=CC=C(C=C1)NC(=S)NCC2CCCO2 1 3.73 3 1 -16.7169597480278 2956974 C1CC(OC1)CNC(=S)NNC(=O)C2=C(C=CC(=C2)Br)Cl 1 3.191 3 2 -12.2664546111479 2956959 CC1CCC2=C(C1)SC(=N2)NC(=O)NC3=CC4=C(C=C3)OCO4 1 2.93 3 3 -10.1828115907202 2956955 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3)C(=O)OC)C 1 3.129 4 5 0 -38.6462682575673 2956948 CC(C)CN1C2=CC=CC=C2C(C1=O)NC(=O)C 1 1.296 2 2 0 -8.67627210923915 2956935 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)N 1 0.461 2 4 0 -14.5088864090335 2956931 C1C(=O)N(C(S1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CO5 1 2.987 2 5 0 -19.9653799490145 2956928 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)C5=CC=CC=C5O4 1 3.886 1 4 -7.76437400427109 2956923 C1C(CN(C1=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3F)C(=O)N 1 0.929 3 4 0 -12.3996284371282 2956922 C1CN(CCN1C(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(C=C5)Cl 1 2.967 3 3 -16.7659429880221 2956915 CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.059 5 2 0 -19.4440528818891 2956908 COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NCCN3 1 0.707 3 4 0 -29.6219994356542 2956907 CS(=O)(=O)N1CCN(CC1)C(=O)NC23CC4CC(C2)CC(C4)C3 1 0.726 3 3 0 -17.1796899816904 2956902 C1C(C(=O)N(C1=O)C2=CC=NC=C2)CC3=CC=C(C=C3)Cl 1 2.454 2 2 1.03684150341113 2956895 CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)C2=CC(=CC=C2)F 1 2.684 2 3 -16.3382070654754 2956893 CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 1.745 5 5 0 -20.5955751714444 2956890 CC1=CC(=CC(=C1)CC2CC(=O)N(C2=O)C3=NC(=C(S3)C)C(=O)C)C 1 3.224 2 3 -6.27725090554404 2956889 C1CC(OC1)C(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 0.596 4 5 0 -19.4864511371144 2956888 COC1=CC=CC=C1CCNC(=O)NC2=CC=CC=C2C(=O)OC.Cl Cl- 1 2.69 2 4 -18.641981232332 2956887 COC(=O)C1=CC=CC=C1NC(=O)NCC2CCCO2 1 1.16 2 4 0 -18.0804044293727 2956884 CC(C1=CC=CC=C1)NC(=O)C2=CC(=NC=C2)C(C)(C)C 1 3.677 2 1 -11.7835357001437 2956882 CC1(CC2=C(C(C3=C(N2)NN(C3=O)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)C(=O)C1)C 1 2.893 3 4 0 -22.1430996676652 2956881 CCOC(=O)C1=C(SC(=C1)C)N2C(=O)C3C4CC(C3C2=O)C=C4 1 1.823 1 4 0 -2.17059696411496 2956880 C1COCCN1C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F 1 1.941 3 3 0 -5.11606647402045 2956873 C1CCCN(CC1)C(=N)C2=CC=C(C=C2)[N+](=O)[O-].Cl Cl- 1 2.566 3 2 -5.16121957519037 2956869 CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3 1 2.867 3 3 -10.5913817917776 2956859 CC(C)OCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2 1 1.184 1 5 0 -13.8218156520602 2956817 CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O 1 1.166 2 4 0 -10.9326569288582 2956818 CC(C1=CC=NC=C1)NC(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.404 3 2 -8.29094706836398 2956823 C1CN(CCC1CC2=CC=CC=C2)C(=S)C3=CC=C(C=C3)OCC(=O)N4CCOCC4 1 4.261 2 3 -7.74300198962526 2956850 C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CSCC4=CC=CC=C4 1 4.32 5 1 -19.4189775335142 2956846 C1CN(C(C(=O)N1)CC(=O)NC2=CC=C(C=C2)F)C(=S)NC3=CC=CC=C3 1 3.152 4 2 -27.5362528536077 2956841 CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O 1 4.613 3 3 -13.7986143398728 2956825 C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)N4CCN(CC4=N3)CC5=CC=CC=C5 1 4.195 5 1 -6.39159029645047 2956806 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4CC(C3(C)C(=O)O)C=C4 1 3.283 1 5 -13.5887403724215 2956804 CCN1CCN(CC1)C(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C 1 2.25 3 3 -14.2151774403656 2956787 CC(C1=CC=NC=C1)NC(=O)NC2=C(C=C(C=C2)F)F 1 2.167 3 1 -7.59969004225548 2956783 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=C(C=CC(=C3)C)OC 1 3.445 1 3 -7.61043273993205 2956782 CCN1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 1.91 3 3 0 -10.5947107664224 2956781 CCCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.353 3 3 -9.13884975711243 2956776 CCCCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C 1 2.482 2 3 -10.7264424570436 2956770 COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC 1 4.539 4 4 0 -14.1857256458212 2956767 CC1=C(C(=CC=C1)NC(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2O)C 1 3.418 3 3 -1.10953234478703 2956759 CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=S)NCC2CCCO2 1 3.25 3 3 -14.2713893340056 2956749 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 0.978 3 3 0 -25.1970891014919 2956746 C1CNC(=O)C(N1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 -0.424 4 4 0 -19.3245759820014 2956740 CCOC1=CC2=C3C(=C1)C(=CC(N3C(=O)C24C5=C(C=C(C=C5)O)OC(=C4C#N)N)(C)C)C 1 3.083 3 4 0 -3.5995251119724 2956722 CC(C1=CC=NC=C1)NC(=O)NC2=CC=CC(=C2)C(=O)C 1 1.496 3 2 0 -9.35348277860532 2956720 CCOCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CO2 1 1.813 2 4 0 -19.0799456802698 2956717 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=CC=C3 1 2.613 2 5 0 -17.697712984309 2956716 CC1=NN(C(=N1)C)CC(COC2=CC3=CC=CC=C3C=C2)O 1 2.042 3 2 1.36754222644359 2956710 CC1=C(C(=CC=C1)C(C)C)NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.983 3 5 0 -21.7436126263975 2956698 CCOC(=O)C1=C(SC2=C1CCC(C2)C)N3C(=O)C4C5CC(C4C3=O)C=C5 1 3.312 1 4 -9.42250163952807 2956696 CCC(C1=CC=CC=C1)NC(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C 1 1.167 5 3 0 -20.4224169798886 2956685 CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NNC(=S)NCC3CCCO3)[N+](=O)[O-] 1 3.199 4 6 0 -16.7526032077696 2956678 CCN1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3 1 2.843 3 3 -12.1588407699437 2956664 C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC(=CC=C3)N4C=CC=C4)O 1 2.51 2 3 -9.79031440437357 2956655 C=CCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.334 4 2 -13.1706991005978 2956597 CC1=CC=CC=C1CSCC(=O)NNC(=S)NCC2CCCO2 1 2.665 3 2 -20.5955974660637 2956602 CCOC1=CC=CC=C1NC(=O)CC2C(=O)NCCN2 1 1.4e-002 3 3 0 -21.5935217439916 2956611 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NN3C=NN=C3 1 -0.137 5 4 0 -16.2785459134642 2956612 COC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)Br)F 1 3.359 1 2 -17.2667218934205 2956645 COC1=CC(=C(C=C1)OC)NC(=O)CC(C(=O)O)NCCC2=CCCCC2 1 -0.125 2 5 0 -15.4023372787702 2956643 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=C(C=C(C=C3)Br)Cl 1 5.478 4 0 -3.72372901869065 2956630 CCCCN1C(=O)C2C(C1=O)NN=C2C(=O)OC 1 -7.6e-002 3 4 0 -10.0469871811634 2956626 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C(=CC(=N3)C)C)O)C)C 1 2.878 3 4 0 -10.1123041204859 2956620 CCSC1=CC=CC=C1C(=O)NCC2CCCO2 1 2.287 1 2 -16.7462307001299 2956586 C1CC2=C(C(N3C4=CC=CC=C4N=C3N2)C5=CC=NC=C5)C(=O)C1 1 2.211 4 1 -15.6952477319569 2956585 CC1CN(CC(O1)C)C(=O)NC2=C(C=C(C=C2)F)F 1 2.005 2 2 -8.58510287452898 2956580 CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)CC)Cl 1 4.181 3 3 -3.45385018878745 2956558 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC(=C(C=C3)OC)Cl 1 2.892 2 5 0 -15.4817882457321 2956556 C1COCCN1C(=O)CC(C(=O)O)NCC2=CC=CC=C2 1 -2.519 2 4 0 -12.9658076698206 2956553 COCCNC(=S)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.215 3 1 -18.3200219412671 2956552 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 1.164 3 4 0 -11.991312198 2956549 CCC(C)C1=CC=C(C=C1)NC(=S)NN2CCOCC2 1 3.492 3 1 -6.99338332192252 2956537 CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2 1 -0.114 3 4 0 -21.6909631561134 2956532 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2CCCC2 1 4.295 3 2 -10.9724943929799 2956531 C1CC(OC1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3 1 2.382 2 4 -19.8945485759769 2956530 COC1=C(C=C(C=C1)CCNC(=O)NC2=CC=CC=C2C(=O)OC)OC.Cl Cl- 1 2.673 2 5 0 -18.1088469535972 2956527 CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)NC(=O)C)Cl 1 2.793 3 2 -5.0536478529342 2956517 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.067 3 4 0 -13.0469333046073 2956499 COC1=CC=CC(=C1)CNC(=O)C(=O)NCC2CCCO2 1 0.653 2 4 0 -14.7910743838089 2956497 CC(CNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.924 2 5 0 -10.3259586538241 2956445 CC1=CC2=C3C(=C1)C(=CC(N3C(=O)C24C(=C(OC5=C4C(=O)OC(=C5)C)N)C#N)(C)C)C 1 2.15 3 4 0 -9.74427420244438 2956446 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCC2=CN=CC=C2 1 1.257 4 4 0 -13.9580393808202 2956455 CC1(CC1(Cl)Cl)C(=O)NNC(=S)NC2=C(C=CC(=C2)Cl)OC 1 3.67 3 2 -5.73638705005864 2956489 CC1=CC(=C(C=C1)NC(=S)NCC=C)[N+](=O)[O-] 1 3.509 3 2 -11.7549512411068 2956485 CC1=CC(=CC=C1)NC(=O)CC2C(=O)NCCN2 1 0.168 3 2 0 -15.3809106942272 2956483 CN1C=NN=C1SC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-] 1 3.609 6 4 0 -20.629998523585 2956482 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NCC=C 1 1.284 2 4 0 -20.4406922990677 2956456 CC(C1CCCO1)NC(=O)NC2=CC3=C(C=C2)OCO3 1 1.45 2 4 0 -14.4625461922297 2956437 C1CC(OC1)CNC(=S)NNC(=O)C2=CC=C(S2)Cl 1 2.191 3 2 -9.98687283498224 2956436 COC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)F)F 1 2.816 1 2 -18.861852224345 2956434 CCC(C)C1=CC=C(C=C1)NC(=S)NCC2=CN=CC=C2 1 4.595 3 0 -9.54092546583006 2956430 C1CC(OC1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 0.866 2 5 0 -26.1845032929807 2956426 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C2=CC=CC=C2)OC 1 2.786 2 4 -22.6290386960802 2956424 COC(=O)NC1CSCC1OC(=O)C2=CC=C(C=C2)Br 1 2.759 1 4 -8.45746136799402 2956422 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC=CC=C3C(=O)OC 1 2.099 2 6 0 -21.1164067584202 2956416 CC1=CC(=C(C=C1)OC)NC(=O)NNC(=O)C(C)OC2=C(C=C(C=C2)F)Cl 1 3.438 3 4 0 -9.61883122080295 2956407 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3)O 1 0.938 3 4 0 -9.52874877686558 2956400 CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)CSCC3=CC=CC=C3 1 2.752 2 2 -11.3407300343838 2956389 CC(C1=CC=NC=C1)NC(=S)NC2=CC(=C(C=C2)OC)OC 1 3.289 3 2 -12.2905589649092 2956388 CC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC(F)(F)F.Cl Cl- 1 7.68 2 1 -0.333107174915577 2956387 C1COCCN1CC(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3 1 0.931 3 6 0 -10.3141282718136 2956377 C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3)Cl 1 1.845 3 3 0 -9.75634729826901 2956368 C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 4.711 4 2 -10.607160363002 2956353 CCC1=CC(=C(S1)NC(=O)CC2C(=O)NCCN2)C(=O)OC 1 0.136 3 4 0 -24.4433004675662 2956344 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)C4=CC5=C(C=C4)OCO5 1 4.319 2 4 1.38366518604348 2956343 CC1=CC=C(C=C1)C(CC(=O)NCC2=CC=CO2)C3=CC=C(C=C3)OC(C)C 1 4.774 1 3 -13.3505509072188 2956338 C1CCN(C1)C(=S)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3C(F)(F)F 1 4.69 2 2 -9.36421546361057 2956332 COC1=C(C=CC2=C1C=CC=C2S(=O)(=O)N3CCCCC3)S(=O)(=O)N4CCCCC4 1 2.79 2 5 0 -11.8555119682137 2956331 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 0.3 4 4 0 -16.1539429178111 2956318 C1CC(OC1)CNC(=S)NCC2=CC=CS2 1 2.34 2 1 -14.6060925449881 2956316 COC1=C(C(=CC(=C1)C2CC(=O)NC3=CC(=C(C=C23)OC)OC)Br)OC 1 3.242 1 5 -8.61837236135306 2956309 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.288 2 6 0 -26.7592706223893 2956301 C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)NC3=C(C=C(C=C3)Br)Cl 1 4.926 3 1 0.737544706462755 2956297 CC1=C(C=NN1C)C(C)NC(=O)NC2=C(C=C(C=C2)F)F 1 2.113 4 1 -8.74203404077302 2956276 CC(C(=O)NC1=CC=CC=C1)SC2=NC(=C3COC(CC3=C2C#N)(C)C)N4CCOCC4 1 3.609 4 3 0 -19.929507200531 2956274 COCCNC(=S)NC1=CC=CC=C1[N+](=O)[O-] 1 2.275 3 3 -13.387197290886 2956270 CC1=CC(=NO1)N2C(=O)CC(C2=O)CC3=CC=C(C=C3)Cl 1 2.744 2 3 -4.78894471567324 2956262 CCOC1=CC=C(C=C1)C(C)NC(=S)NCC2=CC=C(C=C2)Cl 1 5.199 2 1 -6.00619837444708 2956252 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)N3CCCCC3 1 1.791 2 4 0 -17.0534469358006 2956251 CC1=C(C(=NN1CC(=O)NNC(=S)NCC2CCCO2)C)Br 1 1.456 5 2 0 -19.4607194376684 2956250 CC1CN(CC(O1)C)C(=S)NC2=C(C=CC(=C2)Cl)OC 1 4.138 2 2 -11.9878291762258 2956245 CC1=CC=C(C=C1)N2C3(N(C(=C(S3)C(=O)C)C)C4=CC=CC=C4)SC(=N2)C(=O)OC 1 6.847 3 3 -7.32194142380629 2956238 CC1=COC(=C1C(=O)CC2(C3=CC=CC=C3N(C2=O)CCC4=CC=CC=C4)O)C 1 3.48 1 4 -6.87577681933261 2956221 CC1=C(C(=NN1)C)C(=O)CC2(C3=CC=CC=C3N(C2=O)CC4=CC(=C(C=C4)OC)OC)O 1 2.262 3 5 0 -11.3049006284097 2956154 CC(C1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.569 3 5 0 -9.72619416018778 2956162 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 1.51 5 4 0 -15.0046542003607 2956165 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(C)C)[N+](=O)[O-] 1 2.702 2 4 -11.3805055091746 2956167 CN1C=C(C(=N1)C(=O)NNC(=O)NC2=CC=CC=C2C(F)(F)F)Br 1 2.548 5 2 0 -6.86884314037497 2956170 CC1=CC(=CC=C1)NC(=O)C2CC(=O)OC23CCCC3 1 2.495 1 3 -2.64618695090363 2956204 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 1 2.413 3 4 0 6.1726406931681 2956182 CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C1=CC=CC=C1 1 2.459 2 4 -24.674093412085 2956180 COCCCNC(=S)NNC(=O)C1=CC=CC=N1 1 0.629 4 2 0 -14.7576615481558 2956177 CCOC(=O)C1C(C(OC1=O)(C)C)C(C)C(=O)C2=CC=C(C=C2)OC 1 2.757 0 6 -7.83835460386792 2953957 CC(CNS(=O)(=O)C1=C(C=CC(=C1)Cl)Cl)CN(C)C 1 2.719 2 2 -3.14795183282126 2953951 C1=CC(=CC=C1C(=NOC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])N)Br 1 2.865 3 5 0 1.14998067089459 2953939 C1CCC2=C(C1)C=CC(=C2)C(=O)COC3=CC=C(C=C3)Br 1 5.331 0 2 -5.97666097198403 2953929 C1COCCN1CCNC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5.Cl Cl- 1 2.994 2 2 -3.36227312123735 2953928 CCOC1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5 1 5.076 1 2 0.87240278606261 2953924 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC=CS3)Br 1 1.938 3 3 0 -18.1767166101711 2953923 C1=CC(=CC=C1OCC(=O)NC2=NC=C(C=C2)[N+](=O)[O-])Br 1 2.481 3 4 0 -7.92874554939327 2953916 CN(C)CCNC(=O)C1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)OC.Cl Cl- 1 3.57 2 2 -0.32727598696468 2953906 C1CC(OC1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 0.85 2 4 0 -19.1435631568572 2953905 C1=CC(=C(C(=C1)Cl)COC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])F 1 4.067 1 4 -7.74556234592965 2953904 COC1=CC=CC=C1CC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 1.459 2 4 0 -11.9483352483285 2953896 COC1=CC=C(C=C1)OCCC(=O)NCCN2CCOCC2.Cl Cl- 1 0.931 2 4 0 -13.7547646172086 2953892 CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)NC(C(C)C)C(=O)O)Cl 1 3.602 2 6 0 -19.8939970320378 2953887 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)N4CCCCC4 1 3.108 3 5 0 -28.0162501353558 2953881 CC(C(=O)NC1=CC=CC=C1O)OC2=CC=CC=C2 1 2.692 1 3 -4.33628978429881 2953878 C1COC2=C(O1)C=CC(=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 1.853 2 5 0 -13.7799345268175 2953868 CS(=O)(=O)CCC(C(=O)N1CCOCC1)N2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl 1 0.94 2 6 0 -19.6718986138132 2953856 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.364 3 3 -17.107234102875 2953853 CCOC(=O)C1CCN(CC1)C(=O)C(C)OC2=CC=C(C=C2)Br 1 2.988 1 4 -12.6529553269857 2953847 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)NC3CCCCC3)C)Cl 1 3.208 3 6 0 -19.868084900535 2953834 CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NOC(=C3)C 1 1.658 3 4 0 -19.7619695132465 2953828 CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)Cl)O 1 1.398 2 4 0 -7.75459932928852 2953827 CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4)Cl 1 4.017 4 4 0 -15.42972931382 2953814 CC1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 6.196 4 4 0 -6.79238504176143 2953813 COC1=CC=CC=C1C(=O)OCC2=C(C=CC=C2Cl)F 1 4.122 0 3 -5.46803078684046 2953807 COC1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)Cl)[N+](=O)[O-] 1 3.905 2 4 -4.2493964260367 2953804 CN(CCCNC(=O)C1=CC=C(C=C1)OC)CCCNC(=O)C2=CC=C(C=C2)OC 1 2.125 3 4 0 -7.36381257740712 2953797 CC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 1.762 2 4 0 -9.00427345342116 2953794 CCOC(=O)C1=C(SC2=C1CCC2)N/C=C(\C#N)/C3=NC(=CS3)C4=CC=CS4 1 4.676 3 2 -20.1179006263182 2953786 C1=CC=NC(=C1)CNC(=O)C2=C(C=CC(=C2)Br)Cl 1 3.098 2 1 -7.28111800501464 2953773 CC(C(=O)N1CCC2=CC=CC=C21)OC3=CC=C(C=C3)Br 1 3.963 1 2 -11.7204961266939 2953771 CN(C)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)NCC2CCCO2)Cl)Cl 1 1.842 2 4 0 -14.0704169085098 2953770 CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)C 1 0.715 2 4 0 -17.2689510858644 2953765 C1CCC(CC1)NC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 3.086 3 4 0 -20.3166210737715 2953710 CC1=C(C=C(C=C1)OCC(=O)NC2=NC=C(C=C2)[N+](=O)[O-])C 1 2.705 3 4 0 -8.47999648004436 2953712 CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)Br)Cl 1 4.411 1 1 -6.09603284784039 2953717 CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC=CC=C2 1 2.389 1 3 -8.61274911321963 2953718 CN1CCN(CC1)NC(=O)C2=C(C=CC(=C2)Br)Cl 1 2.122 3 1 -1.10747249918506 2953751 C1COCCN1C(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5 1 3.061 1 2 2.25198005723861 2953744 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NC(=NO3)C4=CC=NC=C4 1 1.448 4 3 0 0.958605588883435 2953743 COC1=CC=CC(=C1)C(=O)NC2=CC(=C(C(=C2)Cl)O)Cl 1 3.685 1 3 -2.73160766319568 2953739 CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)O 1 3.198 1 3 -10.4817102773969 2953737 CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)NCC3CCCO3)Cl 1 3.152 2 5 0 -14.0006539069412 2953735 CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O 1 4.249 1 3 -3.21078268849418 2953732 CCC(C(=O)NC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CO3)OC4=CC=CC=C4 1 4.077 3 4 0 -5.65243802311357 2953722 COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)N 1 1.061 2 5 0 -5.67274822091571 2953704 C1CN(CCN1C2=CC=CC=N2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 1.715 4 3 0 -7.5843556742938 2953691 CC1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4O3 1 4.54 2 2 -1.25446634843793 2953683 CCOC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)Cl)O 1 3.369 1 3 -0.939589781508996 2953675 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3CCCO3 1 1.682 2 4 0 -29.0311265363043 2953673 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CO4 1 3.234 3 3 -0.544985477751357 2953659 CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=CC=C2)F 1 1.181 2 3 0 -11.7632628894373 2953651 C1CSC(=N1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)CC(=O)NC5=NCCS5 1 3.056 4 2 -12.6430217524598 2953639 CC(=O)NC1=CC(=CC=C1)OCC2=CC=C(C=C2)F 1 2.723 1 2 -3.04921795806727 2953636 CC(C(=O)NCC1=CC=CC=N1)OC2=CC=C(C=C2)Br 1 2.754 2 2 -10.0945523841228 2953635 CC(C(=O)NC1=CC=C(C=C1)N2CCN(CC2)C)OC3=C(C=C(C=C3)Cl)Cl 1 4.382 3 2 -3.13092209399944 2953633 CC(=O)NC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)F 1 2.594 1 3 -9.64605180302453 2953630 C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 2.355 2 3 -13.7391350268349 2953626 CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC 1 1.308 2 4 0 -14.5151586127128 2953624 CN1CCN(CC1)C(=O)CCOC2=CC=C(C=C2)OC.Cl Cl- 1 1.268 2 3 0 -6.01028516845217 2953616 C1=CC2=C(C(=C1)OCC3=CC=C(C=C3)F)N=CC=C2 1 3.788 1 1 -2.88115321103791 2953615 COC1=CC=C(C=C1)OCCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)OC 1 2.61 1 6 0 -11.678444794648 2953601 CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 3.982 2 4 -15.8104023883091 2953598 CC1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 3.329 3 7 0 -14.7556287718658 2953579 CC(C(=O)N1CCN(CC1)C2=CC=CC=N2)OC3=CC=C(C=C3)Br 1 3.329 3 2 -6.39077738130749 2953576 CC1=NN(C2=C1C3(C4=CC=CC=C4N(C3=O)C)C(=C(O2)N)C#N)C5=CC=CC=C5 1 2.376 5 2 0 -1.42087108029687 2953567 CC(CNS(=O)(=O)C1=CC=C(C=C1)Br)CN(C)C 1 2.139 2 2 -4.22244855136552 2953556 CCC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)C(CC)C3=CC=CC=C3 1 4.936 2 4 -12.5663841575718 2953553 CCCN1N=C(N=N1)NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl 1 3.711 5 2 0 -9.1476025519997 2953548 COC1=CC=C(C=C1)OCCC(=O)NCC23CC4CC(C2)CC(C4)C3 1 3.579 1 3 -9.64650141644706 2953547 CC1=CC(=NO1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)CC(=O)NC5=NOC(=C5)C 1 2.357 4 4 0 -14.8767281229831 2953540 COCCNC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=CC=C4 1 3.036 1 2 -4.17789231024837 2953534 CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)NCC3=CN=CC=C3)Cl 1 3.226 3 4 0 -9.34249162652458 2953523 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3(C4=C(C=CC(=C4)F)NC3=O)O 1 1.268 3 3 0 -9.80458083572763 2953509 CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2OC 1 0.959 2 4 0 -16.4480584591878 2953497 CC(C(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC=NC=C3)OC4=C(C=C(C=C4)Cl)Cl 1 4.563 3 3 2.31954624788854 2953495 C1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC2=CC=CC=C2Cl 1 2.052 2 4 -15.4693891794117 2953493 CN1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5.Cl Cl- 1 3.33 2 1 6.57731288188296 2953473 C1CC(OC1)CNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4 1 3.57 3 2 -2.9083044071232 2953456 C1COCCN1C2=NC(CC(=O)N2)C(=O)NC3=CC=CC=C3 1 1.3e-002 4 3 0 -8.13846553079455 2953454 CS(=O)(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CO3 1 1.784 2 3 0 -8.48888845263658 2953449 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 1.773 2 4 0 -25.9834427591548 2953439 C1CN(CCN1C2=CC=CC=N2)C3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5 1 4.166 5 0 1.58508442176333 2953427 C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)F)Cl)SCCC3=NC4=CC=CC=C4N3 1 3.901 3 2 -0.514696556085146 2953421 CCC(C(=O)NC1=NC=CS1)SC2=NN=NN2C 1 0.865 6 1 0 -19.5162499666392 2953417 COC1=C(C=C(C=C1)C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC=CS4)OC 1 4.336 2 3 -10.1080074804756 2953415 C1CC(OC1)CNS(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)NC4=O 1 0.963 2 4 0 -20.2735645904396 2953411 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3CCCCC3)C4=CC=CS4 1 3.612 3 2 -5.39531042443059 2953403 CNC(=S)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)Br 1 4.712 3 0 -8.29518870987021 2953401 COCCNC(=O)C1CCC(CC1)CN2C(=O)C3=CC=CC=C3NC2=S 1 2.963 3 3 -19.0609864531648 2953396 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)C3CCS(=O)(=O)C3 1 1.037 2 5 0 -31.2326292228609 2953383 COC1=CC=C(C=C1)OC2C(N(C2=O)CC3=CC=C(C=C3)F)C4=CC(=C(C(=C4)OC)OC)OC 1 4.368 1 6 0 -3.92551435548738 2953377 CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S 1 2.186 4 4 0 -12.658224081755 2953373 CC1=CC(=C(C=C1)C(=O)NCCOC)C 1 1.879 1 2 0 -9.0496071913318 2953371 C1=CC(=CC=C1NC(=O)CC2C(=O)N3C(=NC=N3)S2)Cl 1 2.033 4 2 -8.32057733385521 2953368 CC1(CC(C2=C(C1)OC=C2)NC(=O)C3=CC=C(C=C3)OC)C 1 3.052 1 3 -13.4800241242157 2953364 COC1=CC=C(C=C1)C2CC(=NN2C(=S)NC3=CC=CC=C3)C4=CC=C(C=C4)Br 1 6.55 3 1 -7.67852523344893 2953362 C1CN(CCC1C2=NC3=CC=CC=C3N2)C4CC(=O)N(C4=O)C5=CC(=CC=C5)F 1 3.134 4 2 4.99614728202229 2953359 CCC1=CC(=C(S1)NC(=O)C2CC(=O)NN2CC3=CC=CC=C3)C(=O)OCC 1 2.18 3 4 0 -11.8020990260484 2953357 C1CCC2(C1)C(N(C2=O)NC3=CC=CC=C3)C4=CC=C(C=C4)Br 1 4.893 2 1 0.736217212955946 2953353 CC1=CC(=C(C=C1)C)NC2=NC3=CC=CC=C3C(=N2)N.Cl Cl- 1 3.587 4 0 3.38875229803981 2953346 CC1=C(SC2=C1C(=NC(=N2)C)SCC#N)C 1 2.511 3 0 -10.4467624927093 2953340 CN1C(=O)C(N(C1=S)CC2=CC=CO2)CC(=O)NC3=CC=C(C=C3)F 1 2.665 3 3 -12.5364375100953 2953339 CCC(C)(C)NC(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2 1 4.605 1 1 -10.3976094432679 2953328 CCCC(=O)NC1=C(C=CC(=C1)C2=NN=C(C3=CC=CC=C32)OC)N4CCCCC4 1 4.912 4 2 -11.4795069591583 2953320 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N3CCC(CC3)C4=NC5=CC=CC=C5N4 1 3.415 4 2 5.14560832081955 2953313 CC(C(=O)N1CCC2=CC=CC=C2C1)OC3=CC=C(C=C3)OC 1 3.205 1 3 -12.3713400727364 2953309 CS(=O)(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC4=NC=CN=C4C=C3 1 2.006 4 2 -2.4476091368654 2953302 COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F 1 4.422 1 2 -9.61619870903087 2953299 CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2C3CC3)C4=CC=C(C=C4)OCC 1 4.95 3 4 0 -14.1500922392766 2953298 CNC(=S)N1C(CC(=N1)C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC 1 3.931 3 2 -13.2453200052007 2953291 CC1=C(C=C(C=C1)NC(=O)C2CC(=O)NC(=N2)N3CCCCC3)Cl 1 2.394 4 2 -5.96086941579971 2953282 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 1.787 3 4 0 -10.2552110352557 2953281 COC1=CC=CC(=C1OC)C2CC(=NN2S(=O)(=O)C)C3=CC=CS3 1 2.463 2 4 -8.16531911396955 2953277 C1=CC(=CC=C1OCC(CN2C=CN=C2)O)Br 1 1.793 2 2 0 3.06888194388479 2953265 COC1=CC(=C(C=C1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2)[N+](=O)[O-] 1 1.877 2 6 0 -9.67840962092635 2953263 C1CC(OC1)CNC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CS4 1 3.105 2 3 -21.4601056039343 2953261 CCCC1=C(SC(=C1C#N)N)C(=O)OCC 1 2.643 2 2 -5.98679127979028 2953248 CCOC(=O)C1CCCN(C1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N 1 1.91 6 3 0 -3.97554007342883 2953239 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)C3=CC=CC=N3 1 1.716 4 3 0 -7.04813950870549 2953193 CC(C(=O)C1=CC=CC=C1)N2C=NC3=CC=CC=C3C2=O 1 2.696 2 2 -6.3166963559883 2953194 CC1CCCCC1NC(=O)CSC2=NN=C(S2)N 1 1.878 4 1 0 -19.5247755256342 2953195 CNC(=S)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3Cl 1 4.628 3 0 -10.5253556550631 2953198 CC(=O)N1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4 1 2.365 4 1 -3.72939990649692 2953230 CCOC(=O)N1CCN(CC1)C(=O)CN(C2CCCCC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C 1 3.738 3 5 0 -10.0185863944009 2953219 CNC(=S)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)N(C)C 1 4.875 4 0 -10.4819586721677 2953209 CC(C1CC(=O)N(C1=O)C2=NC3=C(S2)C=C(C=C3)OC)C4=CC=CC=C4 1 3.802 2 3 -2.13143102256659 2953189 C1CC(CN(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])O 1 2.779 2 3 3.00245063907134 2953186 C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC5=NC=CN=C5C=C4 1 3.88 4 1 -5.12345019496535 2953184 CC1=CC=CC=C1NC(=O)C2CC3=CC=CC=C3C(=O)O2 1 3.018 1 3 -6.99609715978824 2953173 CC(C(=O)NC1CCCCCC1)OC2=CC=C(C=C2)OC 1 3.655 1 3 -9.76592556962436 2953172 COC1=C(C=C(C=C1)C2CC(=NN2C(=S)NC3=CC=CC=C3)C4=CC=CS4)OC 1 5.739 3 2 -11.7099192106464 2953171 CCCCOCC1CN(C(=O)CS1)C2=CC=CC=C2 1 2.682 1 2 -10.2059975408212 2953164 CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CS3 1 2.551 2 1 -7.19084669526651 2953159 CC1CC(N2C3=C1C=CC(=C3C4(C2=O)C5=C(C=C(C=C5)O)OC(=C4C#N)N)C)(C)C 1 3.351 3 3 -2.22595524954087 2953152 CC1=CC2=C(C=C1)N(C3=C2CCCC3)CC(CNC(C)(C)C)O.Cl Cl- 1 4.222 2 1 1.93713109167392 2953149 C1CCN(C1)CC(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Br 1 2.797 3 2 -15.6975190902731 2953146 C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC=C(C=C3)Cl)N.Cl Cl- 1 3.279 4 0 5.77154707470734 2953145 CC(C)C1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=CC=CC=C3 1 4.026 2 1 -3.58287825790697 2953143 CCOC(=O)C1CCCN(C1)C(=O)CSC2=CC=C(C=C2)C 1 2.935 1 3 -10.4922335402216 2953135 CCC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C 1 3.331 2 2 -8.50040600706144 2953133 C1COCCN1C2=NC(=NC(=N2)OC3=NN=C(C=C3)OCC4=CC=CC=C4)N5CCOCC5 1 2.556 7 4 0 -3.53098889326539 2953131 CC1=C(C(C(=C(N1)SCC(=O)NC2=NC3=CC=CC=C3S2)C#N)C4=CC=C(C=C4)Cl)C(=O)C 1 4.406 4 2 -25.9304592968927 2953130 C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3Br)C4=CC=CC=C4F 1 5.37 2 1 -7.55003424289161 2953129 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2C3CC3)C4=CC(=C(C=C4)OC)Cl 1 4.741 3 4 0 -14.6581292467216 2953112 CC(=O)N1C(CC(=N1)C2=CC=CO2)C3=CC=CO3 1 1.435 2 3 0 -7.24224624699802 2953093 CCC1=CC=CC=C1NC2=NC3=CC=CC=C3N2CC 1 4.297 3 0 0.164317500470057 2953078 C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)NC4=CC=C(C=C4)O.Cl Cl- 1 2.814 4 2 0.949329567639911 2953071 CC1=NON=C1OCCNC(=O)C23CC4CC(C2)CC(C4)C3 1 2.187 3 3 -10.9837345685873 2953069 CC1=C(CC(=O)N1C(C)C2=CC=CC=C2)C(=O)OC 1 1.739 1 3 0 -10.0295252301905 2953068 COC1=CC=CC=C1C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.399 2 2 -9.08473873975062 2953060 CC(C)C(C(=O)O)NC1=NC=NC2=C1OC3=CC=CC=C32 1 2.667 3 3 -4.50255057467784 2953052 COC1=CC=CC=C1C2CC(=NN2C3=CC=CC=C3)C4=CC=CO4 1 4.56 2 2 -1.61377699799804 2953042 CS(=O)(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CC=C3 1 2.496 2 2 -3.59275921883907 2953033 CC(C(=O)N1CCCC2=CC=CC=C21)OC3=CC=C(C=C3)OC 1 3.654 1 3 -11.1147075256147 2953031 C1C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)SCC3=NC4=CC=CC=C4N3 1 3.447 3 2 1.14527609660359 2953017 CC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=CC=C3)O 1 2.036 3 4 0 -3.59999492354256 2952997 CCOC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)N.Cl Cl- 1 2.947 4 1 2.77035902326836 2952993 C1CC(OC1)CNC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4CC4 1 2.245 2 3 -22.478916426601 2952991 C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC=C(C=C3)Br)NCCO.Cl Cl- 1 2.906 4 1 4.64906187087298 2952989 CC(C(=O)NC1=CC(=CC=C1)F)OC2=CC=C(C=C2)OC 1 3.123 1 3 -6.37080416947243 2952987 CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CN=CC=C3 1 1.506 5 1 0 -7.73239874037861 2952982 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 1.947 3 6 0 -11.8490764248331 2952978 CC1=CC(=C(C=C1)O)C(CC(=O)NC(C)C)C2=CC=CC=C2 1 3.783 1 2 -10.3264162183114 2952962 CC1CCCCC1NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.802 2 4 0 -9.85755497294625 2952956 CCN1C(=NN=C1SC(F)F)COC2=CC=CC3=C2N=CC=C3 1 3.6 4 1 -11.505542503688 2952944 CCOC(=O)C1CCCN(C1)C(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.439 1 5 0 -13.4009363598353 2952941 CN1CCC(CC1)OC(=O)C2=CC=CO2.Cl Cl- 1 1.191 1 3 0 -3.75297415199478 2952938 CC1CC2(CC(OC2=O)(C)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4Cl)C(=O)O1 1 3.448 3 5 0 -5.13869028596176 2952929 CCCC(=O)NC1=CC=C(C=C1)C(=O)NCCCN2C=CN=C2 1 1.085 4 2 0 -14.8738403181291 2952925 C1C(N(N=C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.119 2 2 -8.14510638063974 2952921 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.79 3 6 0 -16.001881730568 2952920 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCS(=O)(=O)C3 1 0.58 2 5 0 -27.2800686519826 2952918 C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC=CC=C3O)NCC4=CC=CO4.Cl Cl- 1 3.22 4 2 3.85830356030574 2952917 CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 4.334 4 3 0 -14.6561575219087 2952911 CC1=CC=C(C=C1)NC2=NC(CC(=O)N2)C(=O)NC3=CC(=C(C=C3)C)C 1 3.155 4 2 -2.91017769788215 2952898 CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCNCC3)C4CC4 1 1.698 4 5 0 -8.04744299257859 2952896 CCCCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC(=C3)C)O.Cl Cl- 1 4.095 3 2 -1.86546977402095 2952894 C1CN(CCC1C2=NC3=CC=CC=C3N2)C4CC(=O)N(C4=O)C5=CC=C(C=C5)C(=O)O 1 -0.477 4 4 0 0.486685804405596 2952893 CC1=CC(=CC=C1)NC(=S)N2C(CC=N2)C3=CC=CC=C3 1 4.552 3 0 -2.55972150289242 2952881 C1CC(OC1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 0.729 1 5 0 -13.0288975668821 2952879 CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=CC=CC=N2 1 3.299 3 3 -13.9751643484474 2952876 CCOC1=CC2=C3C(=C1)/C(=C/4\C(=NN(C4=O)C5=CC=CC=C5)C)/C(=O)N3C(C=C2C)(C)C 1 3.738 3 3 -5.27903036065002 2952869 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC=CC=C2N3CCOCC3 1 2.212 4 3 0 -17.8805174325333 2952867 CC1CN(C(=O)CS1)C2=CC=CC=C2 1 1.833 1 1 0 -8.84336255694564 2952861 CC(=O)N1C(CC(=N1)C2=CC=CO2)C3=CC=CS3 1 1.993 2 2 0 -6.35014228959883 2952851 C1=CC(=CC=C1C(=NO)N)NC(=O)C2=CC=C(O2)Br 1 1.647 3 3 0 -2.43474797958832 2952840 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=CC(=N4)C)C)C 1 4.097 5 4 0 -16.8027983425903 2952831 C1CC(OC1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4 1 3.357 4 2 -22.2194610260442 2952827 C1CN2C(CC(=O)N=C2NC(=O)C3=CC=CC=C3)C(=O)N1 1 1.6e-002 4 3 0 -18.5195229919387 2952822 CCCC(=O)N1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4 1 3.488 4 1 -8.81303441306814 2952819 C1CC(OC1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.017 4 5 0 -20.3517240371616 2952807 C1CC(=O)N(C1=O)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46 1 1.432 2 4 0 -10.3074365612105 2952806 C1CCN(CC1)C2=NC(CC(=O)N2)C(=O)NCC3=CC=CC=C3 1 1.25 4 2 0 -11.7508152871374 2952795 CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(C=CC(=C3)OC)OC)C(=S)NC 1 4.417 3 2 -11.4468821176017 2952789 C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=CC4=CC=CC=C43 1 2.733 2 3 -12.2251808519135 2952787 C1COC2=C(O1)C=C3CNCC(C3=C2)O 1 0.396 1 3 0 -3.91843601251948 2952781 CCCCN1C2=CC=CC=C2N=C1NC3=CC=CC=C3 1 4.334 3 0 -4.12028740369957 2952777 CC(C1=NC(=NO1)C2=CC=C(C=C2)NC(=O)C3=CC=CO3)OC4=C(C=C(C=C4)Cl)Cl 1 4.973 3 4 0 0.568872919242409 2952772 CC1=NC(=NC=C1)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.815 4 1 -17.1831719236249 2952770 CC(C)C1=NN=C(S1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.863 3 3 0 -13.3468353725048 2952758 CC(C(=O)NCCC1=CCCCC1)OC2=CC=C(C=C2)OC 1 3.668 1 3 -12.2590263443169 2952755 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)Cl)NC4=CC=CC=N4 1 4.236 4 1 -8.53946152707836 2952752 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 2.257 2 4 -13.4671319751292 2952749 CC1CC(N2C3=C1C=CC(=C3C(=O)C2=O)C)(C)C 1 2.727 1 2 -2.96112851071385 2952748 COC1=CC=C(C=C1)C2CC(=NN2C(=S)NC3=CC=CC=C3)C4=CC=C(C=C4)OC 1 5.786 3 2 -8.87018312115186 2952742 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=O)C(Cl)(Cl)Cl 1 4.151 2 1 1.12324737269031 2952741 COC1=CC=CC(=C1)N2C(=O)CC(C2=O)N3CCC(CC3)C4=NC5=CC=CC=C5N4 1 2.912 4 3 0 3.53533442804042 2952736 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NOC=C3 1 1.642 3 4 0 -19.8328862425354 2952733 CCOC(=O)C1CCCN(C1)CC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N 1 1.91 6 3 0 -5.59773080318893 2952730 CC1=CC(=C(C(=C1C)CN2CCOCC2)O)C(C)C3=CC=CC=C3 1 4.548 1 2 0.314656800826283 2952728 CC(C(=O)N1CCOCC1)OC2=CC=C(C=C2)OC 1 1.234 1 4 0 -12.0409351964846 2952719 CC1=CC=C(C=C1)S(=O)(=O)NCC(C)NS(=O)(=O)C 1 0.587 2 4 0 -9.60377053988048 2952712 CCOC1=C(C=C(C=C1)CN(CCO)CCO)[N+](=O)[O-].Cl Cl- 1 1.051 2 5 0 2.02707451910245 2952705 CCCCN1C2=CC=CC=C2N=C1NCC3=CC=CS3 1 4.081 3 0 -9.67122834704909 2952697 COC1=CC=C(C=C1)OC2C(N(C2=O)CCC3=CC=C(C=C3)F)C4=CC=C(C=C4)C(=O)OC 1 4.594 1 5 -1.39734179505531 2952694 CC(=O)N1C(CC(=N1)C2=CC(=C(C=C2)OC)OC)C3=CC=CS3 1 2.565 2 3 -11.3651846246672 2952693 C1CN(CCC1O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.261 2 3 5.11310263227499 2952689 COC1=C(C=C(C=C1)CN2C3=CC=CC=C3N=C2S(=O)(=O)CC(=O)N)[N+](=O)[O-] 1 1.934 4 6 0 -12.9383736822662 2952677 CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(S2)C 1 1.664 0 6 0 -8.74675204437323 2952676 CC1CN(CC(O1)C)C(=O)CSC2=CC=C(C=C2)C 1 2.566 1 2 -10.1529506584147 2952674 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)SCCC3=NC4=CC=CC=C4N3 1 3.696 3 2 -0.33922221798496 2952663 CC1=CSC(=N1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.279 2 3 0 -8.4008709197975 2952656 CC(C(=O)NC1CCCCCCC1)OC2=CC=C(C=C2)OC 1 4.111 1 3 -9.76592556962436 2952645 C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC=CC=C4C(=N3)NCCO.Cl Cl- 1 2.416 5 1 8.66537718413474 2952643 CNC(=S)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=C(C=C(C=C3)Cl)Cl 1 5.276 3 1 -6.88847222720109 2952642 C1=CC=C2C(=C1)C=C(O2)C(=O)NCCCN3C=CN=C3 1 1.437 3 2 0 -1.18750672939988 2952629 CC1=CC=CC=C1OC2C(N(C2=O)CC3=CC=C(C=C3)F)C4=CC(=C(C=C4)OC)OC 1 4.887 1 4 -3.92806917525044 2952618 CC1=CC=CC=C1OC2C(N(C2=O)CCC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)C(=O)OC 1 4.858 1 6 0 -5.15026586434761 2952614 CC(C(=O)NCC1CCCO1)OC2=CC=C(C=C2)OC 1 1.699 1 4 0 -13.3924647009732 2952609 CC(C1=NC(=NO1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)OC5=C(C=C(C=C5)Cl)Cl 1 5.346 3 5 0 -2.77405604173092 2952607 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCS(=O)(=O)C3 1 1.036 2 5 0 -27.2800686519826 2952603 C1C2C=CC1C(C2C(=O)NCCC3=CC=NC=C3)C(=O)O 1 0.67 2 3 0 -8.19917353955714 2952601 CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C2=C(N=C(S2)C)C)C3=CN=CC=C3 1 1.361 4 3 0 -18.9690345816717 2952597 C1COCCN1CCN2C3=CC=CC=C3N=C2NCC4=CC(=CC=C4)Br 1 3.587 4 1 -5.65937102872506 2952584 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4OC6=CC=CC=C65 1 3.373 4 3 0 9.44202035784674 2952581 C1CN(CCN1)C2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl 1 1.605 4 1 0 -9.11627840249453 2952577 CCOC1=CC=C(C=C1)C(=O)NN2C(=O)C3C4C=CC(C3C2=O)O4 1 0.433 2 5 0 0.914603669127474 2952568 CC(C1CC(=O)N(C1=O)CC2=CC=CO2)C3=CC=CC=C3 1 2.381 1 3 -6.15659949453196 2952567 C1=CC=C(C=C1)C(CC(=O)O)CN2C(=S)N=NN2 1 2.637 4 2 -9.98597010137782 2952565 C1C(N(N=C1C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(O3)Br)C4=CC=CO4 1 4.332 2 3 -9.41998558620336 2952562 CC1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 4.301 3 1 -1.72418075921994 2952561 CC(C(=O)NC1=CN=CC=C1)OC2=CC=C(C=C2)OC 1 1.767 2 3 0 -8.75855397624867 2952541 CC1(CCS(=O)(=O)C1)N(C)C(=O)C2=CC=CS2 1 0.91 1 3 0 -10.2294166548505 2952534 C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CS3 1 4.589 4 3 0 -12.0515231871901 2952532 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)OC)C(=S)NC 1 4.434 3 1 -8.59897744818453 2952519 CC(C1CC(=O)N(C1=O)C2CCCCC2)C3=CC=CC=C3 1 3.474 1 2 -6.16674026448935 2952518 CCOC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CO5)C#N 1 4.313 5 4 0 -37.244181427256 2952514 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)C 1 2.851 4 1 -3.08647049316931 2952513 CC(C(=O)NC1CC(NC(C1)(C)C)(C)C)OC2=CC=C(C=C2)OC 1 2.081 2 3 -15.1208878872832 2952456 CC1(CCS(=O)(=O)C1)N(C)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-] 1 1.93 3 5 0 -10.2207475163362 2952458 CC1=CC=C(C=C1)S(=O)(=O)NCC(C)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.058 3 6 0 -15.0929100915967 2952465 C1CCN(CC1)CC(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Br 1 3.253 3 2 -16.0519876044412 2952472 CC1=CC(=C2C(=C1)C(C(=O)N2)NC(=O)C)C 1 0.871 2 2 0 -9.73044543441883 2952498 COC1=CC=CC=C1C2CC(=NN2S(=O)(=O)C)C3=CC=CO3 1 1.921 2 4 0 -4.16302601563654 2952496 C1COCCN1CCNC(=O)C2=CC3=CC=CC=C3O2.Cl Cl- 1 1.459 2 3 0 -4.69773647999853 2952491 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3F)C(=O)C4=CC=CC=C4F 1 5.313 2 1 -7.58975530548009 2952488 C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)[N+](=O)[O-] 1 2.043 2 5 0 -2.96165282209311 2952481 CCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC 1 2.736 3 5 0 -18.5855888226881 2952480 CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)C4=CC=CC=C4 1 4.072 3 1 -8.88282302307861 2952447 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 2.57 2 3 -4.41864629227423 2952439 CCN(CC)CCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC(=C3)C)O.Cl Cl- 1 3.603 4 2 -2.77319598896989 2952430 C1C(CN(C1=O)CC(=O)OCC2=CC(=CC=C2)Br)C3=CC=CC=C3 1 3.225 1 3 -6.0137874635943 2952426 COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4 1 4.167 3 2 -7.56105499545117 2952423 C1=CC(=CC(=C1)S(=O)(=O)NCCCN2C=CN=C2)[N+](=O)[O-] 1 0.439 4 4 0 -6.71918597567166 2952410 CN1C2=CC=CC=C2N=C1NCCCO 1 0.952 3 1 0 1.0852195633356 2952407 CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.147 3 4 0 -16.1590763347724 2952401 CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CN4CCN(CC4)C5=CC=CC=C5 1 4.043 5 1 -5.31969659287198 2952398 CC1CCN(CC1)C(=O)C(C)OC2=CC=C(C=C2)OC 1 2.716 1 3 -13.1617483506134 2952397 C1CC(OC1)CNC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 0.781 1 4 0 -15.6405732154792 2952395 C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=C3OC5=CC=CC=C54.Cl Cl- 1 3.605 4 1 10.2791698021597 2952393 CC1=CC(=NC(=N1)NC(=NC2CCCCC2)NC(=O)CC(=O)C)C 1 2.067 5 2 0 -8.29022866860171 2952392 C1COCCN1C(=O)CC(C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)O 1 3.129 1 3 -5.81850329935506 2952379 CC1CCN(CC1)CC(CN2C3=C(CCCC3)C4=C2C=CC(=C4)C)O 1 4.995 2 1 2.49630159974443 2952363 CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=CC=C2)OC(C(F)F)(F)F 1 3.256 0 7 0 -11.0213104336614 2952359 CCCC(=O)NC1=CC=C(C=C1)C(=O)NCC2CCCO2 1 1.64 2 3 0 -20.6549680866173 2952346 C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC(=CC=C3)F)N.Cl Cl- 1 2.82 4 0 6.03590107475878 2952332 COC1=C(C=C(C=C1)C2CC(=NN2S(=O)(=O)C)C3=CC=CS3)OC 1 2.463 2 4 -7.62780365789912 2952328 CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CS3)CCN4CCOCC4)O 1 1.349 3 4 0 -22.6790465348817 2952324 CCC(C(=O)NC1=NC=CS1)SC2=NN=C(N2CC)C3=CC(=C(C=C3)C)Cl 1 4.549 5 1 -10.8703675208915 2952322 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)C(=NO)N 1 1.637 3 2 0 -2.65534001767154 2952321 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)S(=O)(=O)C 1 2.642 4 2 -11.5841313854173 2952320 C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=O)C3=CN=CC=C3 1 2.281 4 3 0 -7.51654377610696 2952316 CCCOCC1CC2(C(=O)N=C(S2)NC3=CC=C(C=C3)C)C(=O)O1 1 3.038 2 4 -6.67603509724685 2952312 CC1=CC=CC=C1OCC(CN2C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4)O.Cl Cl- 1 4.35 3 2 -1.97615856110483 2952310 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC3=NC4=CC=CC=C4N3 1 3.115 3 3 -3.88281956123972 2952309 CC1=NC2=C(C=C(C=C2)OC)C(=C1)NC3=CC=CC=C3O.Cl Cl- 1 3.59 2 2 10.4033532194249 2952305 C1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)CN5CCOCC5 1 2.059 5 2 0 -7.48540561397472 2952304 CCC1=CC2=C(N=C(N=C2S1)C)NC(CC3=CNC4=CC=CC=C43)C(=O)O 1 4.043 4 2 -10.9542979751212 2952291 CCOC1=CC=C(C=C1)NC2=NC(CC(=O)N2)C(=O)NCC3=CC=CC=C3 1 2.036 4 3 0 -9.17362576720101 2952275 COC1=CC=CC(=C1)C(=O)NC(C2CCCC2)C3=CC=CC=C3 1 4.366 1 2 -8.51832725641871 2952274 C1COCCN1C2=CC=CC=C2NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-] 1 2.141 4 4 0 -13.8387893389889 2952270 C1=COC(=C1)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-] 1 1.785 3 4 0 -9.6504842684527 2952269 C1C(N(N=C1C2=CC=CS2)C(=S)NC3=CC=CC=C3)C4=CC=CS4 1 5.618 3 0 -10.0103307136818 2952265 C1CCN(CC1)C2=NC(CC(=O)N2)C(=O)NC3=CC(=C(C=C3)F)Cl 1 2.113 4 2 -4.49426237825812 2952262 C1CCC2(CC1)C(N(C2=O)NC3=CC=CC=C3)C4=CC=C(C=C4)Br 1 5.349 2 1 0.381748698787866 2952251 CCC(C(=O)NC1=NC=CS1)SC2=NN=C(S2)C 1 1.747 4 1 0 -15.9963811522052 2952250 COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C 1 2.372 2 3 -5.72750571267532 2952245 CC1CCCCC1NC(=O)CSC2=NN=C(N2C)CN3CCOCC3 1 1.675 5 2 0 -22.3081020154178 2952237 CS(=O)(=O)N(CC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4CCCCC4 1 3.647 3 3 -15.0464872135999 2952234 CC1=CC(=NO1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.35 3 5 0 -14.7053793576631 2952220 CC(C(=O)NC1=C(C=C(C=C1)F)F)OC2=CC=C(C=C2)OC 1 3.328 1 3 -7.06294627277393 2952211 COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCC(=O)O)OC 1 2.411 2 5 0 -18.033736917841 2952210 CCC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C 1 3.167 1 2 -7.14759290527985 2952207 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=S)NC4=CC=CC=C4 1 5.593 3 1 -12.1332118419574 2952202 COC1=C(C(=CC=C1)OC)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 4.88 4 5 0 -6.76469683487207 2952198 C1CCN(C1)CCNC(=O)C2COC3=CC=CC=C3O2.Cl Cl- 1 1.41 2 3 0 -5.96976488901917 2952196 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)F)Cl 1 2.763 2 2 -6.20333418283551 2952193 COC1=CC=CC=C1C2=NN(C(C2)C3=CC=CO3)C(=S)NC4=CC=CC=C4 1 5.091 3 2 -12.3927921581546 2952188 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)CSC5=NC=NN5 1 3.211 7 1 0 -11.5715592297721 2952187 CC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=N2)N.Cl Cl- 1 3.1 4 0 3.14772202696685 2952174 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)C(=O)CCCC(=O)O 1 3.307 2 5 0 -15.776460022902 2952171 C1C(N(N=C1C2=CC=CC=C2)C(=O)CCC(=O)O)C3=CC4=NC=CN=C4C=C3 1 2.061 4 3 0 -10.3787929643713 2952169 COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)C4=CC=CO4)OC 1 3.067 2 5 0 -12.4262224544427 2952151 CC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SC)C#N 1 3.328 2 1 -24.5819547214124 2952147 CCC1=CC2=C(C=C1)N(C(=O)C2NC(=O)C)CC 1 1.396 2 2 0 -4.20345894979676 2952143 COC1=CC=CC(=C1OC)C2CC(=NN2C(=S)NC3=CC=CC=C3)C4=CC=CS4 1 5.739 3 2 -11.6204830758031 2952139 CCN1C(=O)C2C(N3C4C(C(N3C2C1=O)C5=CC=CS5)C(=O)N(C4=O)CC)C6=CC=CS6 1 0.946 4 4 0 -4.85116715218439 2952136 CC(C)N1CC(CC1=O)C(=O)NC2=CC(=C(C=C2)Br)Cl 1 2.448 2 2 -2.66129324175424 2952135 C1C(N(N=C1C2=CC=CO2)C(=O)C3=CC=CC=C3)C4=CC=CS4 1 3.658 2 2 -7.56771457784334 2952134 CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=NC=C4 1 2.501 6 1 0 -8.5637457170458 2952131 C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)NC4=CC=CC=C4O.Cl Cl- 1 4.038 4 1 4.24386988622638 2952129 CC1CN(CC(O1)C)C2=NC(=NC3=C(C=C(C=C32)C)C)C(F)(F)F 1 3.928 3 1 -3.13694931925169 2952123 C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)N.Cl Cl- 1 2.614 4 0 3.62448124873477 2952112 CS(=O)(=O)N1C(CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=CS3 1 3.053 2 2 -6.43896918069554 2952111 CCOC(=O)C1=C(NC(=O)NC1C2=C(C(=CC=C2)OC)OCC3=CC=CC=C3Cl)C 1 3.628 2 5 0 -29.7575957085021 2952108 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCNC2=CC=CC=C2[N+](=O)[O-] 1 1.213 4 5 0 -12.6989696516223 2952103 CCOC(=O)N1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C 1 3.843 4 2 -2.27480861820152 2952100 CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)[N+](=O)[O-] 1 2.434 3 3 -7.50190935648931 2952095 CS(=O)(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CC=C3F 1 2.701 2 2 -5.49910950222359 2952092 CC(C(=O)NCC1=CN=CC=C1)OC2=CC=C(C=C2)OC 1 1.774 2 3 0 -11.3362699169134 2952090 CC1=CC2=C(C=C1)N(C3=C2CCCC3)CC(CN4CCCCCC4)O.Cl Cl- 1 5.2 2 1 5.04979067567341 2952089 CC(C1=CC2=C(CCCC2)C=C1)NC(=O)C3=CC=C(C=C3)F 1 4.717 1 1 -9.42709328169627 2952083 CCCNC(=O)N1CCCC(C1)C(=O)N 1 5.7e-002 3 2 0 -10.6934592152783 2952072 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)[N+](=O)[O-] 1 1.697 4 6 0 -8.0287784049399 2952060 COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4CCCO4)OC.Cl Cl- 1 3.023 4 3 0 -4.00266503902926 2952058 C1C(N(N=C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CO4 1 3.407 2 3 -12.8455983789138 2952051 CC1=C(C=C(C=C1)Cl)NC(=O)C2CC(=O)N(C2)C(C)C 1 2.186 2 2 -3.40725606479186 2952049 CC(C)N1CC(CC1=O)C(=O)NC2=CC(=C(C=C2)F)Cl 1 1.905 2 2 0 -2.57142021965183 2952037 CC(=O)C(C(=O)NC1=CC=CC=C1)SC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.077 6 4 0 -9.00186893220141 2952032 C1C(N(N=C1C2=CC=CS2)C(=O)C3=CC=CO3)C4=CC=C(C=C4)F 1 3.97 2 2 -3.76269968929717 2952012 C1CSC(=N1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.419 3 1 -8.67456717308112 2952003 CCCC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC=CC=N2 1 1.929 3 2 0 -18.3216954073278 2951996 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)C(=O)O 1 1.164 1 6 0 -18.3318200110781 2951994 CCC1CCCCN1C(=O)NC(=O)C2=CC=CC=C2 1 2.842 2 2 -9.24403547023028 2951992 C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)N4CCOCC4.Cl Cl- 1 1.373 4 2 0 -0.5933050627442 2951983 CC(C1=CC=CC=C1)NC(=O)CC(C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)O 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CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CSC4=NCCS4 1 4.71 5 2 0 -20.4640072334908 2951426 C1COCCN1CCNC(=O)CC(C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)O 1 3.061 2 3 -9.04095847897499 2951422 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)SCC3=NC4=CC=CC=C4N3 1 3.447 3 2 -0.881631509800742 2951421 COC1=CC=C(C=C1)C(CC(=O)NC2=CC=C(C=C2)F)C3=CC=CC=C3 1 4.578 1 2 -6.74271338903514 2951417 CC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2C=CC=N2 1 2.087 2 3 -5.73434287623118 2951414 CC(C)(CO)NCC1=CC=C(C=C1)Br.Cl Cl- 1 2.159 1 1 -2.4933572885268 2951411 C1CCC(CC1)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.301 2 3 -18.7871286474809 2951410 CCCCSC1=C(NC(=N1)C)[N+](=O)[O-] 1 2.406 3 2 -5.7766942193005 2951409 C1CC(OC1)CNC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6 1 1.701 2 4 0 -17.5269848995278 2951408 CCCN1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4COC5=CC=CC=C5O4 1 4.041 4 2 4.73684899897514 2951390 C1COCCN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N 1 1.378 3 3 0 -8.19832398164806 2951388 CC1=CC=C(C=C1)SCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 3.203 1 4 -6.98222650969249 2951375 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N3CCN=C3S2 1 1.333 3 3 0 -10.7784254272956 2951374 CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 1.514 4 6 0 -18.8588600870378 2951372 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.39 3 7 0 -21.0893085713301 2951369 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.672 3 3 -9.98410879479766 2951364 CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC=C)[O-] 1 2.579 2 4 -10.5459811066271 2951360 CC(C1=CC=CC=C1)NCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC.Cl Cl- 1 5.627 1 2 0.32095049776725 2951358 CC(C)(C)C(=O)NCCCC1=NC2=CC=CC=C2N1CCCOC3=CC=C(C=C3)Cl 1 5.346 3 2 -11.6705397617354 2951338 C1COCCN1CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O 1 2.533 1 4 -8.45793486388839 2951331 C1C=NN(C1C2=CC=CC=C2)C(=NC(=O)C3=CC=C(C=C3)Cl)N 1 3.162 4 1 -1.65151813811124 2951322 CC1=CC(=NO1)NC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 1.556 4 4 0 -15.3510663793976 2951314 CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=C(O2)C)C3=CC=CC=N3 1 1.934 3 4 0 -13.6139953020029 2951269 COC1=CC=C(C=C1)NC(=S)N2C(CC=N2)C3=CC=CC=C3 1 4.05 3 1 -4.76293903884091 2951271 CCC1(CC2=C(CO1)C(=S)N(C(=C2C#N)N)N)C 1 0.731 4 1 0 -4.43474705029773 2951296 CCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CS2)OC.Cl Cl- 1 4.735 1 2 -5.29747557270206 2951293 CC(C)C(=O)NCCC1=NC2=CC=CC=C2N1CCCOC3=CC=C(C=C3)Cl 1 4.608 3 2 -9.8690460704013 2951286 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC4=CC=CC=C43 1 3.095 2 3 -3.05570958112273 2951284 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNC3=CC=C(C=C3)Br)O 1 1.595 5 3 0 -14.6505077735547 2951283 CCOC(=O)C1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)NCC(C)C 1 2.514 2 5 0 -18.1409046034233 2951279 COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CN=CC=C4)CC5=CC=CO5)O 1 2.579 2 6 0 -13.2099262320981 2951265 CN1C(=C(C=N1)C#N)N=CN(CC2=CC=CC=C2)CC3=CC=CC=C3 1 3.158 5 0 -0.496609963752588 2951262 CCOC(=O)C(C)OC1=C(C=C(C(=C1)Cl)C=O)OC 1 2.761 0 5 -12.1693907239708 2951260 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NCC3=CC=CC=C3 1 2.026 2 3 -17.857918929898 2951255 C1=CC=NC(=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CS4 1 1.943 3 3 0 -15.8547447526178 2951253 C1=CC=C(C=C1)N2C(=O)C(=C(N2)C(F)(F)F)SC3=CC=CC=C3 1 3.494 2 1 0.949761364379008 2951251 CC1(C2(CCC1(C3=NC4=C(C=CC(=C4)[N+](=O)[O-])N=C32)C(=O)O)C)C 1 3.248 3 4 0 -2.47648307625402 2951249 COC1=CC(=C(C=C1)OC)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CO4 1 2.181 2 6 0 -17.3327223760319 2951247 CCN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=CC=N3)O 1 1.466 2 3 0 -8.73487624694729 2951246 C1=CC=C(C=C1)COC2=CC=C(C=C2)CNCC3=CN=CC=C3.Cl Cl- 1 3.367 2 1 -1.00208743255953 2951243 C1CN(CCN1C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4 1 4.716 3 2 -6.27364344039438 2951238 C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)CNCC3=CN=CC=C3)F.Cl Cl- 1 4.321 2 1 0.583291596500627 2951236 CC(C)(C(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)OC3=CC=C(C=C3)Cl 1 4.152 2 3 1.30626754598955 2951231 CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)C2=C(N=C(S2)C3=CC=CC=C3)C)C4=CC=CS4 1 4.085 3 3 -15.5270257920566 2951212 CCCNC1=C(C2=NC3=CC=CC=C3C(=C2C(=C1F)F)C)F 1 5.137 2 0 0.293225998874725 2951206 CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)F)O 1 3.683 2 3 -4.03497400532777 2951204 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4 1 3.835 3 2 -21.8165843867376 2951203 CC1=CC=C(C=C1)NC(=O)C(=O)NC(C)C2COC3=CC=CC=C3O2 1 2.631 2 4 -10.7581232039144 2951199 CC1(C2CCC(C2)(C1=O)C(=O)NCC3=CC=CC=C3)C 1 2.802 1 2 -9.4112046707819 2951198 CC(C)(CO)NCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC.Cl Cl- 1 3.709 1 3 -5.83200126127395 2951196 COC(=O)CC1C(=O)NCCN1C(=O)NC2=CC=C(C=C2)Cl 1 0.785 3 4 0 -24.0033666823982 2951190 CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC(=C(C=C4)OCC(=O)NC(C)(C)C)OC.Cl Cl- 1 4.178 2 3 -14.3292396897219 2951185 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC4=CC=CC=C4C3)CC5=CC=CC6=CC=CC=C65 1 4.134 5 2 0 -14.9275965567338 2951179 CCC(C)NC(=O)NC1=CC(=C(C=C1)F)Cl 1 3.066 2 1 -7.6059450756791 2951172 C1CN(CCC1C(=O)N)C2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl 1 1.36 3 3 0 3.74774121470991 2951170 COC1=CC=C(C=C1)C2CC(=NN2C3=CC(=C(C=C3)Cl)C(=O)O)C4=CC=CC=C4 1 5.459 2 3 -4.66795619136659 2951154 C1CC(CCC1C(=O)O)N2C(=O)C3C4CCC(C4)C3C2=O 1 1.598 1 4 0 -13.4513081177264 2951150 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CC3CCC2C3)C4=CC=C(C=C4)OC 1 3.654 2 4 -12.8041417965747 2951143 CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C 1 2.193 4 4 0 -13.7894434036715 2951140 CCC1(CC(CCO1)(CCNS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)C 1 4.866 1 3 -12.8627778362771 2951131 C1C=NN(C1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 2.572 3 1 -1.89374882938779 2951130 C1CC(OC1)CNC(=O)CSC2=NNC(=N2)N 1 -0.134 5 2 0 -16.2185378085322 2951126 CC1(C2(CCC1(C3=NC4=CC=CC=C4N=C32)C(=O)N5CCN(CC5)C)C)C 1 3.095 4 1 0.461352973701101 2951125 CC1=CC=C(C=C1)C2=NC(=NN2)NC3=CC=CC=C3 1 3.435 4 0 4.22335951069084 2951118 CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC2=CC=C(C=C2)C(=O)N 1 1.35 3 4 0 -17.3413624247119 2951115 COC(=O)C(CC(=O)C1=CC=C(C=C1)Br)N2C=CN=C2 1 2.018 2 3 -10.4941065601067 2951112 C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CNCCO.Cl Cl- 1 3.143 1 2 2.71435289256955 2951105 C1COCCN1CC(COC2=CC3=C(C=C2)C=C(C=C3)Br)O 1 2.786 1 3 -1.95766447640397 2951103 CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CO2)OC3=CC=CC=C3 1 3.114 2 4 -10.6801527153042 2951095 C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)CNCCO.Cl Cl- 1 3.059 1 2 3.15707854599426 2951090 CCC(=O)C1=CC=C(C=C1)OCC(CN2C(=C(C(=N2)C)C(=O)C)C)O 1 2.176 2 4 -9.71120970504739 2951088 CCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)O 1 4.099 3 4 0 -5.45388490617245 2951086 CC1(C2(CCC1(C3=NC4=CC=CC=C4N=C32)C)C)C 1 4.21 2 0 -0.417932940967199 2951053 C1CC(OC1)CNC(=O)CCSC2=CC=CC=C2 1 2.038 1 2 -15.1975375570597 2951048 C1=CC(=C(C=C1Cl)Cl)CNCCCO.Cl Cl- 1 2.219 1 1 5.19612454699047 2951047 CC(C)OC1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)C4=CC=CO4 1 2.379 2 6 0 -20.6554435773173 2951043 CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-] 1 2.157 3 4 0 -10.333464098292 2951041 CC1=CC2=C(C=C1)NC(=O)C2(C3=C(NC4=CC=CC=C43)C)O 1 2.638 2 2 -2.21126405060357 2951040 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)O)Cl 1 1.929 2 6 0 -13.1654799471091 2951032 COC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=C(C=C2)Cl 1 2.681 3 3 -27.050034567903 2951024 CC1=CC=C(C=C1)NC(C2=C(NC(=O)NC2=O)C)C(=O)N 1 0.33 4 3 0 -17.2338277200019 2951020 COC1=C(C(=CC(=C1)CNCCO)Cl)OCC2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 4.372 1 3 1.08223468172068 2951004 COC1=C(C=CC(=C1)F)S(=O)(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4 1 3.236 2 3 -12.9926297247695 2951003 C1CN(CCC1C(=O)N)CC(=O)N2C(CC=N2)C3=CC=CC=C3 1 0.479 4 2 0 -1.62119845951873 2950995 CCOC(=O)C(CSC1CC(=O)N(C1=O)CCC2=CC=CC=C2)N.Cl Cl- 1 1.181 2 4 0 -13.1685551525445 2950980 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=C(C(=CC(=C4)S(=O)(=O)O)C(=O)O)O 1 3.623 2 6 0 1.87748117253491 2950978 C1CCN(CC1)C2(CCN(CC2)C3CC(=O)N(C3=O)CC4=CC=CS4)C(=O)N 1 0.714 4 3 0 -3.47876776624998 2950973 COC1=CC(=C(C=C1C(=O)NC23CC4CC(C2)CC(C4)C3)OC)OC 1 3.131 1 4 -11.3301652637137 2950969 CCC(=O)C1=CC=C(C=C1)OCC(CN2C(=CC(=N2)C)C)O 1 2.436 2 3 -10.8216372202236 2950957 CC1=CC=C(C=C1)SCC(=O)N2C(CC=N2)C3=CC=CC=C3 1 3.543 2 1 -1.30446459705119 2950951 C1CC(OC1)CNC(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4 1 1.728 2 6 0 -24.0455761551935 2950940 CCCCNCC1=CC(=C(C=C1Br)OCC)OCC.Cl Cl- 1 4.109 1 2 -2.59371628450545 2950935 CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3CCCO3 1 1.41 4 5 0 -20.433710883402 2950931 CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3 1 2.891 5 3 0 -7.78691333908523 2950930 C1COCCN1C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.484 2 4 0 -14.2175032978781 2950925 COC(=O)CC1C(=O)NC2CCCCC2N1C(=O)C3=CC=CC=C3 1 1.643 2 4 0 -16.9268892783732 2950921 CCOC(=O)C1=CN=C(N=C1N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C 1 2.292 4 4 0 -3.33485235801294 2950920 CC1=CC(=C2C(=C1)NC(=O)C2(CC(=O)C3=CC=CS3)O)C 1 2.56 1 3 -10.6666762715308 2950914 CCN1C(=O)CC(C1=O)N2CCN(CC2)C3=CC(=CC=C3)OC 1 1.401 3 3 0 4.31264618499175 2950900 CC(=O)N(CCC(CC1=CC=CC=C1)C2=CC=CO2)CC3=CC=CO3 1 3.63 1 3 -7.31353769795866 2950899 COC1=CC2=C(C=C1)OC3=CC=CC=C3C2C4C(=O)CCCC4=O 1 3.261 0 4 -6.22549067853918 2950893 C1CC(OC1)CNC(=O)COC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3 1 1.726 2 5 0 -16.4510365131833 2950891 CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 3.051 3 2 -18.7314440220096 2950885 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)C(=O)C4=CC=CO4 1 2.162 3 4 0 1.84688980651743 2950884 CC(C)(CO)NCC1=C(C(=CC=C1)OC)OCC2=CC=C(C=C2)Cl.Cl Cl- 1 3.625 1 3 -2.53082216583938 2950883 COC1=C(C=C(C(=C1)CNCC2=CC=CC=C2)Br)OC3CCCC3.Cl Cl- 1 5.068 1 2 -1.15190973535821 2950882 CCOC1=CC=C(C=C1)CNC(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 4.895 1 1 -0.508239823334902 2950878 CC1=C(C(=NN1)C)C(=O)CC2(C3=C(C=CC(=C3)Br)N(C2=O)CC=C)O 1 2.077 3 3 -9.99285715763736 2950867 C1CC(=O)N(C1)C2=CC=C(C=C2)CN3C(=O)CC(C3=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 2.439 4 3 0 -3.37822043646715 2950866 CCOC1=C(C(=CC(=C1)CNCCO)Br)OCC2=CC=CC=C2.Cl Cl- 1 3.476 1 3 -2.6491274858601 2950863 CC1(C2(CCC1(OC2=O)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C)C 1 2.239 1 7 0 -14.4623732034775 2950856 CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.178 2 3 -11.7695734526956 2950848 CC1CCCCC1NC(=O)CSC2=C(C(=CC(=N2)C)COC)C#N 1 2.963 3 2 -21.9641692084081 2950846 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2CCCO2 1 1.99 2 4 0 -24.0147636596917 2950845 CCOC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCCCC3C 1 2.742 6 1 0 -4.96842617370124 2950838 CN1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.754 3 3 0 -11.5874602913133 2950830 C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC=C(C=C3)N4C=CC=C4)O 1 2.51 2 3 -9.23435272748455 2950825 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)C(C)OC2=CC=CC=C2 1 3.334 2 3 -15.6453492165033 2950821 CCC(C)NC1=NC(=NC(=N1)NCC)OC2=NN=C(C=C2)OCC 1 3.132 7 2 0 -10.6624678380116 2950805 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C 1 2.781 3 6 0 -21.3151988174971 2950802 C1C(OC2=CC=CC=C2O1)C(=O)NC3=NC=C(S3)[N+](=O)[O-] 1 1.403 3 5 0 -0.961325323731872 2950794 C1CN(CCN1C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl)C(=O)C5CC=CCC5C(=O)O 1 4.894 4 3 0 7.26096029693204 2950793 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C 1 3.903 1 2 -12.1370933891861 2950788 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNC3=CC=C(C=C3)Cl)O 1 1.511 5 3 0 -13.1938480284533 2950780 CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3CCCO3 1 1.27 4 4 0 -8.28508332642527 2950779 COC(=O)CC1C(=O)NCCN1C(=O)NC2CCCCC2 1 0.402 3 4 0 -28.9686692534242 2950774 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F)Cl 1 1.316 3 7 0 -17.2557698500141 2950768 CCOC(=O)C1=C(OC(=C(C1C2=C(SC(=C2)C)C)C#N)N)C 1 1.916 2 3 0 -11.531604064122 2950763 CC1CC(CN(C1)CC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C 1 2.671 6 0 -3.78674542403644 2950756 CC1=CC=C(C=C1)N2C(=NNC2=S)C 1 2.5 3 0 -5.01926279793947 2950755 C1CN(CCC1C2=NC3=CC=CC=C3N2)C4CC(=O)N(C4=O)C5=CC=CC=C5F 1 3.134 4 2 3.07809626648975 2950746 CC(C(=O)NC1=CC=C(C=C1)OCC(=O)O)OC2=C(C=C(C=C2)Cl)Cl 1 3.728 1 5 -11.9039644771328 2950733 CC(=O)N(C1CS(=O)(=O)C=C1)C2=CC=C(C=C2)Br 1 1.285 1 3 0 -1.56809486222742 2950726 COC(=O)CC1C(=O)NC2CCCCC2N1 1 0.184 2 3 0 -11.7541578813364 2950725 CC1=CC(=NO1)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4 1 2.878 2 3 -6.03945775074381 2950679 CC1=CC=CC=C1C(=O)NC(C)C2=CC3=C(CCCC3)C=C2 1 4.998 1 1 -12.031509410096 2950680 CN1N=C(N=N1)NC(=S)NC(=O)C2=CC=CO2 1 1.265 6 2 0 -9.89183144431522 2950681 CCOC1=C(C(=CC(=C1)CNC2CCCC2)Cl)OCC3=CC=CC=C3.Cl Cl- 1 5.333 1 2 -1.51334199793723 2950716 C1C(OC2=CC=CC=C2O1)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.42 2 5 0 -11.401189832887 2950710 CC1CC2=CC=CC=C2N1C(=O)C3=NSN=C3 1 2.063 3 1 -10.1901564825788 2950708 CCOC(=O)N1CCN(CC1)C2=NC3=C(C=C(C=C3)C)C(=N2)C4=CC=CC=C4 1 4.093 4 2 8.83707033141634 2950701 CN(C)CCNC1=C(N=C(O1)COC2=CC=C(C=C2)Cl)C#N 1 2.531 4 2 -3.9345792476466 2950698 C1CN(CCN1CC(=O)N2C(CC=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 2.635 4 1 1.14168127072943 2950696 CC1=CC=C(C=C1)SC2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCCO4 1 3.339 1 4 2.44970474777436 2950692 CCOC(=O)C1CCCN(C1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N 1 2.413 6 2 0 -3.63361681291974 2950673 CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NCC2=CC=C(C=C2)OC 1 2.338 2 4 -14.8274733466143 2950671 CC1=CC(=NC(=N1)NC2=NC(=O)CC(N2C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O)C 1 3.192 5 4 0 -8.09803242366509 2950661 C1CN(CCN1CCCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)F 1 3.548 4 1 -5.27918882216295 2950653 CC1CC2=CC=CC=C2N1C(=O)C3=CC4=C(C=C3)N(N=N4)C 1 3.083 4 1 -7.39822485925391 2950651 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=CC=N3)CCN(C)C)O 1 1.236 3 4 0 -13.1674745116809 2950645 CC1=CC(=C(C=C1NS(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)N)C)Cl)S(=O)(=O)N3CCOCC3)C 1 2.082 3 7 0 -15.1100360192089 2950644 CC1=NN(C(=N1)C)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3 1 3.151 4 1 -1.85176801507267 2950605 CCOC(=O)N1CCN(CC1)C(=O)C2=C(C(=CC=C2)OC)OC 1 1.42 2 5 0 -8.93010170157902 2950607 CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C 1 4.133 2 4 -6.00266260359786 2950608 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=CC(=N3)C 1 2.425 3 3 -3.30297127172043 2950639 CC1(C2(CCC1(C(=O)C2=O)C(=O)NCCC3=CC(=C(C=C3)OC)OC)C)C 1 2.717 1 5 -9.85935075450502 2950633 CC1(C2(CCC1(CC2=O)C(=O)NC3=CN=CC=C3)C)C 1 1.429 2 2 0 -9.93106371322958 2950631 CCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N3CCCN=C3S2 1 1.745 3 3 0 -10.5401368679127 2950628 CCC1=CC=CC=C1NC(=S)N2CCNC(=O)C2CC(=O)OC 1 2.959 3 3 -29.4318293802547 2950624 C1CC2=C(C=CO2)C(=O)C1C(=O)C3=CC=CC=C3 1 2.705 0 3 -3.9044142605292 2950623 CC(C)CNC1=NC(=NC(=N1)OC)OC2=NN=C(C=C2)OCC3=CC=CC=C3 1 4.607 6 3 0 -8.44687525221919 2950622 CC1=CC(=NO1)N2C(=O)C3C4CC(C3C2=O)C(C4)C5=CC=CC=C5 1 2.554 2 3 -6.65935491876582 2950614 CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCOCC2 1 1.685 3 4 0 -11.0292463850884 2950595 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC3=NC4=CC=CC=C4N3 1 3.639 3 3 -3.4278307772265 2950592 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)SC3=CC=CC=C3 1 2.297 2 4 -22.4116653186997 2950589 C1CCN(CC1)CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O 1 3.762 1 3 -6.05932865297631 2950586 C1=CC=C(C=C1)C(CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CO4 1 3.691 1 3 -8.05858362696587 2950580 CCC1=CC(=CC=C1)OCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)COC3=CC=CC(=C3)CC 1 4.584 2 6 0 -9.22195879388371 2950577 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC(=CC=C3)F)C4=CC=CC=C4Cl 1 3.515 3 2 9.35815471094379 2950564 CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CO4)C5=CC=CS5 1 4.772 2 4 -13.946062952392 2950562 CC1(C2(CCC1(CC2=O)C(=O)NCCCOC)C)C 1 0.935 1 3 0 -15.7684193166917 2950559 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=CC=CC=C4S3 1 2.495 3 3 -3.11513720523051 2950555 CCOC1=C(C(=CC(=C1)CNCCO)Br)OCC2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 4.805 1 3 0.719261957655127 2950550 C1=CC=C2C(=C1)C(=CN2)CCN=C(N)NC(=O)C3=CC=C(C=C3)Cl 1 3.735 4 1 -4.71672189080264 2950529 CC1=C(C(=NN1CC(C2=CC=CC=C2)O)C)Br 1 2.729 2 1 -2.2144581096174 2950528 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NCC2CCCO2)Cl 1 1.088 2 5 0 -10.7794975934986 2950527 CCOC(=O)N1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)NCC(C)C 1 2.046 3 5 0 -15.2468927773311 2950507 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC=CO4 1 2.234 3 4 0 3.7961323413631 2950506 CCC(=O)C1=CC=C(C=C1)OCC(CN2C(=C(C(=N2)C)Br)C)O 1 3.184 2 3 -6.76690360181648 2950503 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CC(=O)NCC5=CC=CO5 1 6.7e-002 2 4 0 -17.6595233285862 2950498 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)C3=C(C(=O)N(C3C4=CC=CS4)CCN5CCOCC5)O 1 3.013 3 4 0 -17.9335053540096 2950497 C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])CNC3=CC=C(C=C3)F.Cl Cl- 1 4.889 2 3 -2.62769182415996 2950491 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)(C4=CC=C(C=C4)Cl)O 1 2.757 2 5 0 4.51509944809933 2950490 CC1=CC(=NC(=N1)N=C(N)N2CCC3=CC=CC=C32)C 1 1.519 5 0 0 -7.05287243253086 2950485 C1CN(CCC1C2=NC3=CC=CC=C3S2)C4CC(=O)NC4=O 1 1.714 3 2 0 -2.55905981472548 2950482 CC(C(=O)NC1=CC(=C(C=C1)Cl)Cl)SC2=NC(=NC(=N2)NC)N3CCOCC3 1 3.066 6 2 0 -9.10843820469197 2950478 CCOC1=CC=CC=C1CNC(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 4.895 1 1 -2.19782071909202 2950471 CC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2C=CC(=N2)C 1 2.369 2 3 -7.76598298071689 2950467 COC1=CC=CC(=C1OC)C(=O)N2CCOCC2 1 0.898 1 4 0 -10.2885116713411 2950466 COC(=O)CC1C(=O)NCCN1C(=O)C2=CC=CC=C2 1 0.213 2 4 0 -27.0683063781389 2950464 CC1=CC2=C(C=C1)NC(=O)C2(CC(=O)C3=CC4=C(C=C3)OCO4)O 1 1.888 1 5 0 -11.4429192110476 2950457 CC1=CC2=C(C=C1C)N(C=N2)C3CC(=O)N(C3=O)C 1 1.643 3 2 0 -4.14765950305126 2950440 CC1(C2(CCC1(CC2=O)C(=O)NCC3=CC=CC=C3Cl)C)C 1 3.251 1 2 -12.445120511298 2950439 CCOC(=O)C1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C 1 1.597 2 6 0 -19.4849922950313 2950434 CCCOC1=CC=C(C=C1)C(=O)C2=NC3=C(N2O)CCCCC3 1 2.104 2 3 -2.18095687712114 2950432 C1C(C(=O)N(C1=O)C2=CC=CC=C2C(F)(F)F)SC3=NC=CC=N3 1 2.752 3 2 1.93787333977969e-002 2950426 C1CN(CCC1CC2=CC=CC=C2)C3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5 1 2.168 6 2 0 3.64429789310014 2950423 CC1CCC2=C(C1)SC(=N2)NC(=O)C3=CC=CO3 1 2.649 2 2 -8.18127869742884 2950422 C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=CC=N4 1 1.336 3 4 0 -19.4486995568956 2950416 C1CN(CCN1CC(=O)N)C2CC(=O)N(C2=O)CCC3=CC=CC=C3 1 0.155 4 3 0 -3.13696538998681 2950409 CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)O 1 1.553 3 6 0 -26.1647116535088 2950407 C1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 1 2.789 2 3 -7.30847667966626 2950405 C1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCNCC3 1 1.639 4 3 0 -8.71420730514231 2950404 CC1=C(C(NC(=O)N1)C2=CC(=CC(=C2OCC=C)OC)Cl)C(=O)C 1 2.188 2 4 -30.313614758191 2950400 CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 4.934 3 2 -4.85282749480474 2950397 C1C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)SC3=NN=NN3C4=CC=CC=C4 1 3.16 5 2 0 -4.89996543615425 2950394 C1=CC(=CC=C1NC(=O)CSCCO)[N+](=O)[O-] 1 0.786 2 4 0 -9.84053718955444 2950381 CCN1C(=O)C(N(C1=S)CC2=CC=CS2)CC(=O)NC3=CC=C(C=C3)F 1 3.572 3 2 -13.3373623884975 2950364 CN1C(=O)C(N(C1=S)CCC2=CC=CC=C2F)CC(=O)NC3=CC=C(C=C3)OC 1 3.789 3 3 -12.4766897170701 2950359 CC1=CC(=NN1S(=O)(=O)C2=C(C=C(C(=C2)OC)Cl)OC)C 1 2.69 2 4 -11.7075437873656 2950356 COC1=C(C(=CC(=C1)CNC2CCCC2)Cl)OCC3=CC=C(C=C3)F.Cl Cl- 1 5.19 1 2 1.52341832379095 2950349 CCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OCC)O 1 2.824 3 5 0 -6.91885022837522 2950345 CC1CCCCC1NC(=O)CSC2=NN=NN2C3=CC=CC=C3 1 3.037 5 1 -27.1107683439066 2950330 CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O 1 2.866 3 3 -5.85854891964017 2950327 CC1(C2(CCC1(C(=O)C2=O)C(=O)NCC3=CC4=C(C=C3)OCO4)C)C 1 2.196 1 5 -6.97329661527476 2950323 C1COCCN1CCNC(=O)CC(C2=CC=CC=C2)C3=C(C=CC(=C3)Br)O 1 3.145 2 3 -9.41870106775438 2950314 COC1=CC=C(C=C1)CCNC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 2.729 3 4 0 -9.90054791568238 2950312 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCC2CCCO2 1 1.393 2 5 0 -24.6117293802803 2950311 COC1=C(C=C(C(=C1)CNC2CCCC2)Br)OCC3=CC=CC=C3.Cl Cl- 1 5.068 1 2 -0.559795464030987 2950307 CCOC1=C(C=CC(=C1)CNN2C(=NN=C2SCC(=O)NC(C)(C)C)C)OCC(=O)NC(C)(C)C 1 2.133 6 4 0 -25.5663057650576 2950304 C1CC(CCC1C(=O)NCC2=CC=CO2)N3C(=O)C4C5CCC(C5)C4C3=O 1 1.941 2 4 0 -18.3727999560421 2950295 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5 1 2.431 3 4 0 4.72733953959966 2950293 C1C(OC2=CC=CC=C2O1)C(=O)NC3=NN=CS3 1 0.861 3 3 0 -6.76431370367558 2950291 CC1CC(C(CN1C)C)NCC2=CC3=C(C=C2)OCO3 1 2.072 2 2 -0.755633182198139 2950288 CCSC1=CC(=C(O1)C)C2C(=C(OC3=NNC(=C23)C)N)C#N 1 2.254 4 2 -7.02829685858417 2950287 COC1=C(C=C(C=C1)CCNC(=O)CC2COC3=CC=CC=C3O2)OC 1 2.824 1 5 -15.5458359081739 2950283 CC1=C(C=CC=C1Cl)NC(=O)CC2C(=O)NCCN2 1 0.833 3 2 0 -16.0126172324227 2950282 CC1=CC(=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N)C 1 3.429 4 1 -17.2085061145068 2950281 C1C(OC2=CC=CC=C2O1)CNC(=S)NC(=O)C3=CC=CC=C3 1 3.374 2 3 -10.8103100625859 2950277 CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CS3)C 1 3.874 3 3 -14.6788956971931 2950275 CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=CC=CC=C2 1 3.787 1 3 -11.4524290639511 2950264 C1CC(OC1)CNC(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4 1 2.538 3 2 -25.6935519234259 2950255 COC1=C(C(=CC(=C1)CNCCO)Br)OCC2=CC=CS2.Cl Cl- 1 2.867 1 3 -2.82171422579093 2950251 C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC=CC=C4 1 2.012 2 4 -20.4371836801648 2950250 COC1=CC=CC=C1NC(=O)CC2COC3=CC=CC=C3O2 1 2.512 1 4 -9.12243849182681 2950243 C1CN(CCN1CC(COC2=CC3=C(C=C2)C=C(C=C3)Br)O)C4=CC=CC=N4 1 4.116 3 2 2.83656008957662 2950240 CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCOCC4 1 2.975 4 1 1.50034306328835 2950238 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=C(C=CC(=C4)OC)OC 1 3.021 2 6 0 -20.7860275736595 2950233 CC1CC(CN(C1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.352 2 3 -18.1646436148173 2950226 CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-] 1 3.343 4 5 0 -14.866245261638 2950220 CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3CCCO3 1 1.487 2 3 0 -21.8993932702336 2950217 CCOC1=C(C=CC(=C1)CNCCO)OCC(=O)NC(C)(C)C.Cl Cl- 1 1.135 2 4 0 -14.7345638313314 2950205 CS(=O)(=O)N(CC(=O)NC1CC2CCC1C2)C3=CC=CC(=C3)C(F)(F)F 1 2.55 2 3 -8.87479673032315 2950198 CC(C)C1=CC=C(C=C1)NC(=O)C2CC(=O)N=C(S2)N 1 2.314 3 2 -5.87643729245395 2950191 CC(C)NCC1=CC(=C(C=C1Br)OC2CCCC2)OC.Cl Cl- 1 4.211 1 2 -4.0346422465062 2950184 CC1=CSC(=N1)NC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 1.697 4 3 0 -7.40384668636784 2950173 CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(C)C)OC 1 2.567 1 4 -13.1177016609789 2950172 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CCC(=O)NC5=C(C=C(C=C5)Cl)O 1 1.549 2 4 0 -10.1423983447452 2950160 C1COCCN1CCN2C(C(=O)N(C2=S)CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)F 1 3.31 4 3 0 -15.7807790611761 2950156 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.467 3 3 -10.9572890154051 2950146 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)C4=NC5=CC=CC=C5N4 1 2.912 4 3 0 2.9462735536078 2950126 COC1=CC=C(C=C1)OC2C(N(C2=O)CCC3=CC(=C(C=C3)OC)OC)C4=CC5=C(C=C4)OCO5 1 4.269 1 7 0 -6.94382262397544 2950123 CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC2=CC3=C(C=C2)OCO3 1 2.116 2 5 0 -16.2300971580664 2950122 CC1=C(C=C(C=C1)Cl)NC(=O)CC2C(=O)NC3CCCCC3N2 1 2.264 3 2 -9.36042517090009 2950121 CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCNCC4 1 2.709 5 0 5.91879684725568e-002 2950120 CC1=CC(=C(C=C1C)S(=O)(=O)N2CCCCC2C3=CN=CC=C3)OC 1 3.281 2 3 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CC1=C(C(=C(O1)CC(C)C)CN)C(=O)O.Cl Cl- 1 -1.144 1 3 0 -2.93496902740204 2950052 CCOC(=O)C1CCCN(C1)CC(=O)NC2=NC3=CC=CC=C3N=C(C2C4=CC=CC=C4)C 1 3.225 4 3 0 -10.0741751756883 2950036 C1CN(CCN1CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)O 1 4.386 2 3 -3.93680091315967 2950032 CCCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC)O 1 3.609 3 6 0 -12.0803834522136 2950024 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.503 2 5 0 -23.6680680308261 2950022 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)SCC3=NC4=CC=CC=C4N3 1 2.989 3 2 -1.99175317492231 2950007 COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4 1 3.87 3 3 -8.25638995577752 2950000 COC1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O 1 1.278 2 6 0 -18.1832066174264 2949998 COC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 1 1.896 2 6 0 -22.3763199732517 2949996 C1CCN(CC1)C(=O)C2=C(C=C(C=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4)Cl 1 2.488 2 4 -6.3978756076485 2949994 COC1=CC=C(C=C1)N2C(=O)C(N(C2=S)NC(=O)C3=CC(=CC=C3)OC)CC(=O)N 1 1.888 4 5 0 -13.0416853672169 2949992 C1C(OC2=CC=CC=C2O1)C3=CSC4=NC=NC(=C34)NCCC5=CC=CC=C5 1 4.762 3 2 2.06773447021673 2949983 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.706 5 4 0 -15.932587873655 2949972 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3 1 1.782 3 6 0 -10.3734900615816 2949967 CC1CCCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=O)OC 1 2.745 2 3 -13.0269445162753 2949965 CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCCC4 1 3.748 4 0 3.4438977001692 2949962 CC1=CC(=CC(=C1Br)C)NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O 1 3.16 2 3 -13.007417613279 2949950 C1C=NN(C1C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)F 1 4.272 3 0 -3.63809580423152 2949949 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(=CC3)C4=CC=C(C=C4)F 1 3.512 2 4 -3.7659736368225 2949930 CCOC1=CC(=C(C=C1)OCC)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CN=CC=C4)N)C#N 1 3.58 4 3 0 -24.4342946944469 2949919 CCSC1=CC(=C(O1)C)C2C3=C(CCCC3=O)NC(=C2C(=O)OC)C 1 2.374 1 4 -34.0823719187806 2949914 CC1C2=CC(=C(C=C2CCN1C(=S)NC(=O)C3=CC=CC=C3)OC)OC 1 4.45 2 3 -19.7720277117639 2949909 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)C 1 3.379 3 5 0 -15.1581260491583 2949907 CC1=CC(=NC(=N1)NC2=NC3CCCCC3N2C(=O)NC4=CC(=C(C=C4)Cl)Cl)C 1 4.655 6 1 0 -3.60790261649137 2949906 COC1=CC=C(C=C1)NC(=S)N2CCCCC2C3=CN=CC=C3 1 4.41 3 1 -4.20409321597372 2949895 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3C)C 1 3.191 2 3 -4.09996614445343 2949891 CCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=C(O4)C 1 3.215 2 5 0 -14.8772179721952 2949886 COC1=CC=CC(=C1OCC2=CC=CC=C2)CNCC3=CN=CC=C3.Cl Cl- 1 3.351 2 2 -1.96928722349574 2949873 CC1=CC(=CC=C1)OCCCN2C3=CC=CC=C3N=C2CCNC(=O)C(C)C 1 4.43 3 2 -10.6965961983741 2949860 CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)N)C)Cl 1 1.377 2 5 0 -15.0637920150998 2949854 CC(C)CC(=O)NC(=S)N1CCCCCC1 1 3.531 2 1 -13.8064981004107 2949825 CC(C(=O)C1=CC=C(C=C1)OC)OC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.216 2 6 0 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-17.2685562475563 2949746 C1CN(CC=C1C2=CC=C(C=C2)F)C3CC(=O)N(C3=O)C4=CC=C(C=C4)F 1 3.513 2 2 0.737340571123288 2949736 CC1=CC(=C(S1)C)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N 1 2.263 2 2 -15.4178015749467 2949734 C1CN(CCC1(C#N)C2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC(=CC=C4)F 1 3.021 3 2 3.46367764127501 2949729 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2 1 1.4e-002 3 3 0 -18.4477456084085 2949724 CCC(C)NC(=O)NCC1=CC=CC=C1F 1 2.408 2 1 -13.0005941131147 2949719 CC1=CC(=CC=C1)OCC2=NC(=C(O2)NC3=CC=C(C=C3)OC)C#N 1 3.939 3 3 -3.23670644115017 2949708 CC1=CC=C(C=C1)C2=NN(C=C2CNCC3=CC=CC=C3)C4=CC=CC=C4.Cl Cl- 1 5.61 3 0 17.5354400215777 2949699 CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.852 4 5 0 -12.3833761743605 2949691 CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3CCCO3)C4=CC=C(C=C4)OC 1 3.999 2 3 -8.95878906974794 2949690 CC1=CC(=CC=C1)NCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O 1 1.332 5 3 0 -12.2892147909916 2949688 CC(C(=O)N1CCOCC1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5 1 -0.32 2 4 0 -16.8102013356158 2949682 CCSC1=CC(=C(O1)C)C2C(=C(OC(=C2C(=O)OC)C)N)C#N 1 1.879 2 4 0 -12.4521387937916 2949669 C1C=NN(C1C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)Cl 1 4.73 3 0 -2.52797413910995 2949667 C1=CC(=CC=C1CNCCO)OCC2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 3.724 1 2 4.37013295793455 2949663 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-] 1 3.884 4 5 0 -11.6663233403167 2949657 CC1=C(C2=CC=CC=C2N1)C3(C4=CC=CC=C4N(C3=O)C(C)C)O 1 3.084 2 2 0.577165794537108 2949651 CN1C2=C(C=C(C=C2)C(=O)N3CCC(C3)C4=CC=CC=C4)N=N1 1 2.867 4 1 -2.37313034671203 2949650 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)N)C)Cl 1 1.746 2 6 0 -16.5485484242846 2949643 CC(C(=O)C1=CC=CC=C1)OC2=CC=CC(=C2)NC(=O)C3=CC=CS3 1 4.291 1 3 -9.61394044846798 2949634 CCN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC 1 4.566 4 2 -8.26387761921432 2949625 CC1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C 1 2.941 2 4 -14.0081327193438 2949620 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)OCC 1 2.815 2 6 0 -20.2175479214648 2949619 C1C=NN(C1C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.9 3 1 0.17602546424722 2949617 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.534 3 5 0 -14.2340376354891 2949569 CN(C)C1=C(N=C(O1)COC2=CC=CC=C2F)C#N 1 2.287 3 2 -3.74283962083349 2949571 CC(C)(CO)NCC1=C(C=CC2=CC=CC=C21)OCC3=CC=C(C=C3)Cl.Cl Cl- 1 4.55 1 2 1.98832438946724 2949575 C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)CNCCO)F.Cl Cl- 1 3.349 1 2 4.2410448228144 2949576 CCC1=CC=CC=C1NC(=S)N2C(CC=N2)C3=CC=CC=C3 1 5.008 3 0 -5.07818194847411 2949602 COC1=CC(=C(C=C1C(=O)NCC2CCCO2)OC)OC 1 1.347 1 5 0 -16.5775104182 2949587 CC(C)(C)C(=O)CC1(C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)Cl)O 1 3.96 1 3 -6.14082940029192 2949585 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=C(C=CC(=C3)OC)OC)CCCN4CCOCC4)O 1 1.782 2 7 0 -19.0130575937536 2949561 CC(C)C1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=NC=C2 1 2.344 2 3 -2.12832387231526 2949556 CCC(C)NC(=O)COC1=CC(=C(C=C1)Br)C 1 3.358 1 2 -12.1619778064141 2949549 CC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N 1 2.345 4 1 -15.805299197502 2949533 CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)NC(CCSC)C(=O)OC)C(=O)CCC3 1 2.198 2 5 0 -29.3989218867038 2949532 C1=CC=C(C=C1)COC2=CC=CC(=C2)CNCC3=CN=CC=C3.Cl Cl- 1 3.367 2 1 -1.44112231865415 2949519 CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=N4 1 2.988 3 4 0 -10.8453379696008 2949518 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COCC3=CC=CC=C3Cl)OCC4=CC=CC=C4Cl 1 4.162 4 4 0 -13.6296460548143 2949515 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCC2=CC=C(C=C2)OC 1 2.601 2 5 0 -20.5870491280041 2949512 CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3 1 4.869 4 3 0 -7.80239105088413 2949509 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCCC2 1 1.701 2 4 0 -17.969827934497 2949508 CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 2.926 2 4 -9.1143280782296 2949496 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)(C#N)C4=CC=CC=C4 1 3.02 3 4 0 -3.50286302815868 2949486 CCCCN(C)C=NC1=C(C=NN1C2=CC=C(C=C2)C)C#N 1 3.382 5 0 -0.279140529226418 2949471 CN1C=C(C2=CC=CC=C21)C(C3=CC=CC=C3OCC(=O)O)C4=CN(C5=CC=CC=C54)C 1 5.552 2 3 -5.74138202379273 2949468 C1CN(CC2=CC=CC=C21)CCOCCOC3=CC=CC=C3C4=CC=CC=C4.Cl Cl- 1 4.997 1 2 -1.42192770194896 2949466 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)[N+](=O)[O-] 1 1.754 3 5 0 -6.51308240700187 2949463 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2CCCO2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.322 3 6 0 -23.5788432403767 2949456 C1CCC(C1)CCC(=O)ON=C(C2=CC(=CC=C2)[N+](=O)[O-])N 1 2.988 3 4 0 -4.61255490536575 2949438 CC1=NC(=CC=C1)NC(C2=C(C3=C(C=CC(=N3)C)C=C2)O)C4=CC=C(S4)C 1 4.724 3 1 4.54031018089666 2949392 C1CN(CC2=CC=CC=C21)CCOCCSC3=CC=C(C=C3)Cl.Cl Cl- 1 4.702 1 1 2.95015899094136e-002 2949376 COC1=CC=CC=C1C(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl 1 4.306 3 3 -6.48980281082495 2949359 CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC(=CC=C4)C(F)(F)F)C(=O)OCC5CCCO5 1 3.879 1 5 -45.3673759935004 2949338 CCOC1=C(C=C(C=C1)C(=O)NCC(C)CN(C)C)OCC 1 2.352 2 3 -12.1277876398747 2949330 CC1=CC=C(O1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC(=C2C(=O)OCC5CCCO5)C 1 3.288 1 5 -43.4569211289719 2949305 CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C)[N+](=O)[O-] 1 2.175 3 3 -6.95617548192037 2949295 CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC(=C(C=C4)OC)O)C(=O)OCC5CCCO5 1 2.678 1 7 0 -45.8180979141297 2949258 CC1=CC=C(O1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)NC4=CC=C(C=C4)F)C 1 3.032 2 3 -34.5972721146759 2949255 CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=CC=CC=C4C3=O)C(=O)NC5=CC=CC=C5 1 2.557 2 4 -30.1760846452253 2949213 COC1=CC=CC=C1C2=NC(=S)NN=C2 1 2.469 3 1 -5.0303609911107 2949204 C1CN(CC2=CC=CC=C21)CCCOC3=C(C=C(C=C3)Cl)Br.Cl Cl- 1 5.085 1 1 4.05836314447385 2949155 CC1=CC(=C(C=C1)C(C)C)OCCCNCC2=CN=CC=C2.Cl Cl- 1 3.592 2 1 0.213826953598938 2949107 CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2CCCO2)S(=O)(=O)C 1 0.746 3 6 0 -23.2964324292535 2949086 C1CN(CCN1C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl 1 4.216 4 4 0 -7.81592168148746 2949060 C1CN(CC2=CC=CC=C21)CCOC3=CC(=CC=C3)Br.Cl Cl- 1 4.358 1 1 0.664002830928873 2949045 CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3)OCC 1 2.926 3 3 -7.58307432182177 2948983 CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5 1 2.807 2 4 -35.7740032061924 2948959 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 3.253 2 2 -4.99033071159943 2948955 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)CC(=O)N3CCOCC3 1 0.582 4 6 0 -21.9407024696132 2948951 CN1C=C(C2=CC=CC=C21)C(C3=CC=CC=N3)C4=CN(C5=CC=CC=C54)C 1 5.154 3 0 -2.9085742251746e-002 2948943 C1CN(CC2=CC=CC=C21)CCOCCOC3=C(C=C(C=C3)Cl)Cl.Cl Cl- 1 4.808 1 2 -1.31302987979734 2948939 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN(C3=C(C=CC(=C3)[N+](=O)[O-])C)S(=O)(=O)C)C 1 3.424 4 7 0 -17.6256188061563 2948935 C1CCC(C1)CCC(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N 1 2.988 3 4 0 -2.13894052702264 2948925 C1=CC=C2C=C(C=CC2=C1)OCCCSC3=NC=CC=N3 1 3.717 2 1 0.824032525870747 2948917 CC1=C(SC=C1)C2=NN=C(S2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.404 3 4 0 -14.2261550171937 2948912 CC1=C(C(=CC=C1)C)OCC2=NN=C(S2)NC(=O)CSC3=CC=C(C=C3)Cl 1 4.879 3 2 -10.1652276578396 2948907 C1=CC(=C(C=C1OCCCN2C=NC=N2)Cl)Cl 1 2.819 3 1 -5.25758319565744 2948897 CC1=CC=C(C=C1)SCCSC2=NC=CC=N2 1 3.79 2 0 0.492251470469818 2948887 C1=CC=C(C(=C1)OCCCCN2C=NC=N2)F 1 2.276 3 1 -4.44577480091455 2948883 CC1=CC=CC=C1NC(=O)CC2=NN=C(S2)NC(=O)OC 1 1.779 4 3 0 -15.2812254077744 2948873 CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F)S(=O)(=O)C 1 3.394 4 7 0 -11.1076436974266 2948870 C1COCCN1C(=O)CC2=NN=C(S2)NC(=O)COC3=C(C=CC(=C3)Cl)Cl 1 1.795 4 4 0 -17.6053587820815 2948868 C1=C(C=C(C(=C1Cl)OCCCCN2C=NC=N2)Cl)Cl 1 4.063 3 1 -2.13976474489048 2948867 C1=CC(=CC(=C1)Br)OCCCCN2C=NC=N2 1 2.818 3 1 -3.70994777805601 2948843 CCCCOC(=O)NC1=NN=C(S1)CC(=O)NCC2=CC=CC=C2 1 2.629 4 3 0 -19.1306025637825 2948835 CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2CCCC2)S(=O)(=O)C 1 1.789 3 5 0 -17.469659919923 2948834 CCOC1=C(C=C(C=C1)C(=O)NCCCN2CCOCC2)OCC 1 1.591 2 4 0 -15.6224928100709 2948830 CC1=CC(=C(C=C1)C)OCCCN2CCC3=CC=CC=C3C2.Cl Cl- 1 4.645 1 1 1.39557207716863 2948827 CC1CCCN(C1)C2=C(C=C(C=C2)NC(=O)C)[N+](=O)[O-] 1 2.243 3 3 -7.87073532537751 2948824 C1CCC(C1)CCC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.84 1 1 -3.45299897117401 2948811 C1CN(CC2=CC=CC=C21)CCCOC3=CC=CC=C3[N+](=O)[O-].Cl Cl- 1 3.567 2 3 -3.57103744522414 2948810 CC(=O)NC1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-] 1 0.694 3 4 0 -7.13686341062421 2948801 CC1=CC=CC=C1NC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 4.619 1 1 -4.44320895307343 2948787 CCC(=O)NC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)OC3=CC=CC=C3)C 1 4.974 1 5 -14.7150627753831 2948773 CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)NC5=CC=CC=C5 1 3.221 2 4 -26.6182542116048 2948770 CC1=CC=C(C=C1)OCCCCN2CCC3=CC=CC=C3C2.Cl Cl- 1 4.739 1 1 -9.29864314836502e-002 2948756 CC1=CC(=C(C=C1)Cl)OCCN2CCC3=CC=CC=C3C2.Cl Cl- 1 4.761 1 1 0.654964458360686 2948751 C1COC(=O)C1SC2=NN=NN2C3=CC=CC=C3 1 1.523 4 2 0 -11.3895961668841 2948745 CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=S)N3)CC4=CC=CC=C4 1 4.689 2 2 -7.46510932306581 2948744 C1OC2=C(O1)C=C(C=C2)CC3(C(=O)NC(=O)N(C3=O)CCC4=CC=CC=C4)CCC5=CC=CC=N5 1 4 3 5 0 -4.02251924985058 2948741 COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)NC3=CC=C(C=C3)N4CCOCC4)OC 1 2.151 3 5 0 -9.83573788585555 2948740 CC1=CC(=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F)C 1 3.357 2 3 -13.4147163539735 2948737 CCC(C)C1=CC=CC=C1NC(=O)C2CCCO2 1 2.933 1 2 -12.9939991115608 2948734 CCOC1=C(C=C2C(OC(=O)CC2=C1)C3=CC=CC=C3OC)OCC 1 3.734 0 5 -7.86878701191009 2948674 CC1=NC(=NC2=C1CCCC2)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.507 4 4 0 -1.9502661435102 2948675 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.076 3 5 0 -15.5986580319212 2948676 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.807 3 4 0 -6.23056535466139 2948685 CN1CCC(CC1)OC(=O)CC2=CC=C(C=C2)Cl.Cl Cl- 1 2.495 1 2 -1.49816323441118 2948723 CC1(C2CCC(C2)(C1=C)C(=O)NCC3=CC=CO3)C 1 2.62 1 2 -10.1582913693136 2948721 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)NC2=CC=CC=C2OC 1 2.125 3 4 0 -11.5550257413319 2948718 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C)[N+](=O)[O-] 1 1.815 3 6 0 -7.22809800445637 2948707 CC1(CC2CC(C1)(CN2C(=O)COC3=CC=CC=C3OC)C)C 1 3.104 1 3 -16.1816302796936 2948705 C1CC2CC1CC2NC(=O)CC3=CC=CC=C3[N+](=O)[O-] 1 2.568 2 3 -9.31797441140949 2948701 CC1=CC=C(C=C1)SC(C)C(=O)NCC2=CC=NC=C2 1 2.834 2 1 -6.6839938278188 2948699 CN1CCC(CC1)OC(=O)COC2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 2.96 1 3 -2.49683688566491 2948670 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C(=CC=C4)C)OC 1 4.614 3 3 -7.42833366303254 2948659 CC1(CCS(=O)(=O)C1)N(C)C(=O)C2=CC=C(O2)Br 1 0.919 1 4 0 -9.42595133773922 2948658 CC1=CC=C(C=C1)SC(C)C(=O)NCC2=CC=CC=C2OC 1 3.969 1 2 -8.68721341725282 2948654 CC1=C(C=C(C=C1)C(=O)N(CCC(=O)OC)C2=CC=CC=N2)[N+](=O)[O-] 1 2.544 3 5 0 -14.9677125625586 2948648 CN1CCC(CC1)OC(=O)CC2=CC=CC=C2.Cl Cl- 1 1.831 1 2 0 -4.13497682977759 2948635 C1COC(=O)C1SC2=NC3=CC=CC=C3N2CC4=CC=CC=C4 1 3.941 2 2 -5.10083187736438 2948633 CCOCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC 1 0.913 2 5 0 -12.367999111917 2948628 CC1=CC(=NN1C(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C 1 4.379 2 1 -2.37260846089006 2948620 CC1=C(C=CC(=C1)NC(=O)C2CCCO2)Br 1 2.517 1 2 -11.442308307767 2948619 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NCC3CCCO3 1 1.41 1 5 0 -18.0540836440146 2948616 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C 1 2.632 3 5 0 -11.4120150042569 2948610 CCC(C1=CC=CC=C1)NC(=O)CCC2=CC=CC=C2 1 4.013 1 1 -14.285225959683 2948602 CC1=CC(=C(C=C1)N(CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)S(=O)(=O)C)C 1 4.756 2 3 -1.75970941616665 2948598 CCN(CC)C(CNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC=CC=C2 1 3.853 2 2 -4.61807752481941 2948593 CC1=NC(=NN1)SC2CC(=O)N(C2=O)C3=CC=CC=C3 1 1.609 4 2 0 0.428105623149764 2948590 CCOC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C 1 0.869 1 4 0 -3.11262316856497 2948585 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC(=C(C=C2C)C)S(=O)(=O)N 1 2.687 2 4 -7.75567197999833 2948577 CC1=NC(=NC2=C1CCCC2)SC3CC(=O)N(C3=O)C4=CC(=CC(=C4)Cl)Cl 1 4.941 3 2 2.35196776699083 2948575 CC1CCCCN1C2=C3C(=C(SC3=NC=N2)C(=O)O)C 1 3.515 3 2 -11.0731982479728 2948526 C=CS(=O)C1=C(C(=C(S1)Cl)N2CCOCC2)[N+](=O)[O-] 1 1.334 2 4 0 6.01820866492858 2948527 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)C#N)C 1 2.71 6 3 0 -20.0992765936431 2948568 CCN1CCN(CC1)C2=C(C=C(C(=C2)N3CCCC3)[N+](=O)[O-])F 1 3.021 4 2 -1.50029042779389 2948564 CCOC1=CC=CC=C1C(=O)N(CCC(=O)OC)C2=CC=CC=N2 1 2.496 2 4 -14.4040068897402 2948563 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCO3 1 1.892 2 3 0 -11.5767341652 2948558 C1COC(=O)C1SC2=NC3=CC=CC=C3O2 1 2.162 1 3 -0.284212773576907 2948553 COC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CCN4CCOCC4)O.Cl Cl- 1 2.09 4 4 0 -6.83619069727352 2948545 CS(=O)(=O)CCC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=C(C=C3)Cl 1 2.364 1 7 0 -12.0676848682952 2948520 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)CCCC4 1 3.053 3 3 -15.9664080843026 2948512 C1CN(CCN1C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCOCC3)C(=O)C4=CC=CO4 1 2.218 4 5 0 -7.06180712650053 2948511 CC1=CC(=CC=C1)OCC(CN2C(CC(CC2(C)C)O)(C)C)O 1 2.525 1 3 -0.97772998425895 2948509 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)N2CCCCC2 1 1.688 3 3 0 -10.2873294795707 2948508 CC1=C(SC(=N1)N)C2=NN=C(N2CC=C)SCC(=O)NC3CCCCC3 1 2.767 6 1 0 -15.0061647710619 2948496 CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.242 3 5 0 -15.3295473272497 2948490 CC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CCN4CCCCC4)O.Cl Cl- 1 3.822 4 2 -3.87934170601774 2948489 C1CC(OC1)CNS(=O)(=O)C2=CC=C(S2)Br 1 1.454 1 3 0 -9.35558588873779 2948482 CCNC(=S)N1CCCC(C1)C(=O)N 1 1.151 3 1 0 -10.2223201264294 2948475 CC1=CC=C(C=C1)SCCC(=O)NCC2CCCO2 1 2.524 1 2 -14.2743723317436 2948474 CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC2CCCCCC2 1 3.085 2 3 -15.2808565802512 2948473 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N 1 0.463 2 6 0 -20.4396874025831 2948463 CC1=CC=C(C=C1)SC(C)C(=O)NC2CC2 1 2.891 1 1 -7.27167209616212 2948449 CN1CCC(CC1)OC(=O)COC2=CC=C(C=C2)Br.Cl Cl- 1 2.379 1 3 -3.53984402612618 2948445 CCOC(=O)C1=CC=CC=C1NC(=O)C2CCCO2 1 1.487 1 4 0 -18.515366621537 2948439 CC1CC(CN(C1)CC2=NC(=NC(=N2)NC3=CC4=CC=CC=C4C=C3)N)C 1 3.579 6 0 -1.1664063261501 2948436 CC1=CC=C(C=C1)SC(C)C(=O)NC2=CN=CC=C2 1 2.828 2 1 -5.78814519420134 2948432 CC1=NC(=NC2=C1CCCC2)SCC(=O)OC 1 2.624 2 2 -10.6560655779659 2948429 CCOC1=CC=C(C=C1)C(=O)N(C)C2CCS(=O)(=O)C2 1 1.084 1 4 0 -15.2955319779967 2948426 CCOC1=CC=C(C=C1)C(=O)NCCN2CCCC2.Cl Cl- 1 1.97 2 2 0 -7.62354032624954 2948424 CCOC1=C(C=CC(=C1)C(C#N)N2CCCCC2)OC 1 3.002 2 2 -7.22845283055974 2948413 CC(CC(=O)NC1=CC2=C(C=C1)OCCO2)C3=CC=CC=C3 1 3.143 1 3 -9.62679637114522 2948398 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NCCN2CCCC2.Cl Cl- 1 2.873 2 2 -5.37928446188442 2948393 CCOC1=CC=C(C=C1)C(=O)OC2CCN(CC2)C.Cl Cl- 1 2.128 1 3 -6.02853280221041 2948386 C1CC2CC1CC2NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.237 2 4 -9.74232423174193 2948383 CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NN=C(O3)C4=CC=CC=C4 1 5.063 4 2 -28.0420900403691 2948374 CSC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NCC3=CC=CC=C3 1 2.69 5 1 -6.64495617702994 2948371 CC1(CCS(=O)(=O)C1)N(C)C(=O)C2=CC3=CC=CC=C3OC2=O 1 0.986 1 5 0 -13.0607203125177 2948364 CC1=NC2=C(N1C)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.048 3 2 0.861568950740511 2948362 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)N(CC3=CC(=C(C=C3)OC)OC)C4CCS(=O)(=O)C4)C)C 1 4.355 1 6 0 -7.93717786249784 2948350 CCCCN1C(=O)CC(C1=O)N2CCOCC2 1 0.455 2 3 0 -3.45139953737668 2948349 CC1(C2(CCC1(C3=NC4=CC=CC=C4N=C32)C(=O)OC)C)C 1 3.579 2 2 -0.898750383314863 2948346 COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4 1 2.261 2 5 0 -7.36322697615736 2948345 CC1CCCN(C1)C(=O)CC2=CC=CC3=CC=CC=C32 1 3.423 1 1 -7.6731131584705 2948326 CC(C1=C(C=CC(=C1)Cl)O)NC2=CC=C(C=C2)OC 1 4.005 1 2 3.11426717539775 2948316 COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=NC=CS4)OC 1 2.341 3 5 0 -18.680623525262 2948310 C1CCC(C(C1)NS(=O)(=O)C2=CC=CC=C2)SC3=NN=CN3N 1 1.776 5 2 0 -11.5364412550996 2948308 CCOC1=CC=C(C=C1)NC(=O)C2CC(=O)OC2C3=CC=CC=C3 1 2.695 1 4 -4.36296686138995 2948303 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5 1 0.878 7 3 0 -6.15303962504058 2948299 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCCNC(=O)C 1 3.511 3 1 -10.1959886451681 2948292 C1=CC=NC(=C1)CCC2(C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)CC4=C(C(=CC=C4)Cl)Cl 1 5.981 3 3 -0.941882825614745 2948283 C1CN(CCN1CC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC5=C(C=C4)OCCO5.Cl Cl- 1 2.342 3 4 0 4.72623845572585 2948282 CC1=CC=C(C=C1)N2C(C3C(O2)C(=O)NC3=O)C4=CC=CO4 1 1.885 2 4 0 -10.5053260542115 2948275 COCC1=NC2=CC=CC=C2N1CCC3=CC=CC=C3 1 3.453 2 1 -3.08796161594578 2948274 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.076 3 5 0 -17.9931770298781 2948272 C1CC(CN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)C(=O)N 1 1.669 3 2 0 -5.78327339516419 2948267 CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCCO2 1 1.487 1 4 0 -16.8289047834535 2948256 CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C 1 3.114 4 3 0 0.873853302537093 2948248 CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)O)C4=CC(=C(C=C4)OC)OC)OCC 1 4.482 1 7 0 -18.0660420284778 2948245 CC(C)N1C(=O)CC(C1=O)NC2=CC=C(C=C2)N3CCOCC3 1 1.334 3 3 0 -7.94579226306241 2948243 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2CC3CCC2C3)C 1 3.801 1 2 -2.06612239144963 2948240 C1CCC2C(C1)NC(=N2)NC(=O)C3=CC=CC=C3 1 2.328 3 1 -6.24587064679531 2948236 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)O 1 2.143 2 4 -9.41042598929056 2948221 CCOC1=CC=C(C=C1)NC2CS(=O)(=O)C=C2 1 1.351 1 3 0 0.649711408063817 2948220 CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC(=CC=C2)SC 1 4.52 1 1 -3.49652771693864 2948216 C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C(O3)C4=CC=NC=C4 1 2.103 3 4 0 -9.44047537395814 2948213 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)N(C(C)C)C(C)C 1 2.223 3 3 -7.61779344907688 2948212 C1CN(CCC1C(=O)NC2=NOC=C2)S(=O)(=O)C3=CC=CS3 1 0.983 3 4 0 -10.9678314780027 2948211 CC1=CC2=C(C=C1C)N=C3C(=N2)C4(CCC3(C4(C)C)C(=O)O)C 1 4.326 2 2 -1.36035414058229 2948203 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)COC4=CC=C(C=C4)OC 1 3.963 3 4 0 -7.61907231443513 2948201 CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)[N+](=O)[O-] 1 1.611 2 4 0 -10.3785680285027 2948195 CCC(=O)NCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C 1 3.856 3 1 -10.9127068382793 2948191 CC1=CC=C(C=C1)NC(C)C2=C(C=CC(=C2)Cl)O 1 4.508 1 1 3.5272333845419 2948185 CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCCCC3 1 4.662 3 3 -5.57953483056648 2948169 CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 5.497 1 1 0.269915836531281 2948165 CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NCCN3CCOCC3.Cl Cl- 1 2.81 2 2 -6.86256957917538 2948144 CC1CCCN(C1)C(=O)COC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC(=O)OC)C)C 1 3.168 1 6 0 -14.932112188596 2948133 CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=C(C=C2)N(C)C(=O)C)O)C3=CC=CC=C3C 1 3.943 2 5 0 -15.7825884116771 2948131 CC1=CC2=C(C=C1C)N(C=N2)CC3CC3(Cl)Cl 1 3.548 2 0 -1.47047164483591 2948127 CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.783 2 4 -21.4885000933836 2948119 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)NC4=CC=C(C=C4)F 1 4.215 2 3 -9.12403398233501 2948115 CC(=O)OC1=CC=CC(=C1)N2C(=O)CC(C2=O)NC3=CC=C(C=C3)N4CCOCC4 1 1.952 3 5 0 -10.1658545093094 2948114 CN(C1=CC=C(C=C1)C(=O)NC2CC3CCC2C3)S(=O)(=O)C 1 1.756 2 3 0 -8.80066599726354 2948111 CCOC1=CC=C(C=C1)NC(C)C2=C(C=CC(=C2)Cl)O 1 4.354 1 2 2.34804402368973 2948110 CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC3=CC=CC=C3 1 2.262 2 5 0 -24.5477916765372 2948108 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)OC)CN3CCOCC3)C 1 1.158 3 5 0 -33.1071046599349 2948102 C1C=NN(C1C2=CC=CC=C2)C(=NC(=O)C3=CC=CC=C3)N 1 2.498 4 1 -4.56219585825565 2948098 CC1CCCN(C1)C(=O)COC2=CC3=C(C=C2)C4=C(C=C(C=C4)OC)C(=O)O3 1 3.419 1 5 -12.1536829539831 2948092 CC1=CC=C(C=C1)SC(C)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 4.273 1 3 -10.529263838635 2948077 C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC4=CC=CC=C4O3 1 3.48 1 4 -5.35045805511108 2948069 C1CCN(CC1)C2=C(C(=NN2C3=CC=C(C=C3)Cl)C(Cl)Cl)[N+](=O)[O-] 1 5.296 4 2 5.54216898823396 2948068 CCC(C1=NC2=CC=CC=C2C(=O)N1C3=NC4=CC=CC=C4S3)N5C(=O)C6=CC=CC=C6C5=O 1 4.793 4 3 0 -8.32136628580625 2948054 C=CSC1=C(C(=C(S1)Cl)N2CCOCC2)[N+](=O)[O-] 1 2.445 2 3 -2.43788451547449 2948040 CCC(C(=O)NC1=NN=C(S1)C(F)(F)F)OC2=CC=CC=C2 1 3.28 3 2 -8.46151375556251 2948034 CC(C1=CC=CC=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2 1 2.582 2 2 -16.001111443269 2948031 CC1=CC=C(C=C1)SC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 3.071 3 2 -14.4978139252389 2948030 CN1C2=C3C(CC(=NN3C=C2C(=O)N(C1=O)C)C4=CC=CC=C4)C5=CC=CC=C5 1 3.591 4 2 -6.33639074973268 2948029 CCC(C(=O)N(CC1=CC=CC=C1)C2=CC=CC=N2)OC3=CC=CC=C3 1 4.635 2 2 -7.0395030371572 2948028 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CN4C5=CC=CC=C5N=N4 1 4.491 7 2 0 -16.7458645662294 2948027 CCOCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C 1 1.416 2 4 0 -11.1238083666003 2948015 CC1=CC(=NC(=N1)N=C(N)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C 1 3.035 5 0 -3.99745330477221 2948012 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2C)S(=O)(=O)N)C 1 2.687 2 4 -7.52326795913331 2948010 CC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C3=CC=CC=C3 1 1.81 3 6 0 -21.076896088668 2948007 CN1CCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)Br)OC 1 2.478 3 4 0 -11.3432142299436 2948006 CC(C)OC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NCCS3 1 2.084 3 3 -14.2305463823027 2948005 COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCC2CCCO2)C3=CC=C(C=C3)F)OC 1 2.114 2 6 0 -27.1739648208192 2948003 CN1C=NN=C1SC2CCCCC2NS(=O)(=O)C3=CC=CC=C3 1 2.473 4 2 -14.5193992096915 2947997 CC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=O)(CCC3=CC=CC=N3)CC4=C(C(=CC=C4)Cl)Cl 1 5.719 3 3 -1.30722177110013 2947994 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC=CS3 1 1.16 3 4 0 -14.7915759027571 2947993 C1COC(=O)C1SC2=NN=C(O2)C3=CC=CO3 1 1.331 2 4 0 -3.42850647549665 2947988 CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 2.717 1 5 -7.69105462603486 2947981 CCNC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)C 1 1.438 2 3 0 -14.1550054406918 2947980 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCC3CCCO3 1 2.576 2 4 -17.7624132671842 2947979 CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NS(=O)(=O)C 1 1.91 2 3 0 -14.349350649837 2947974 COC1=CC=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F 1 2.368 2 4 -11.7032663095739 2947967 C1CC(OC1)C(=O)NCCC2=CC=C(C=C2)F 1 1.816 1 2 0 -14.3839936607391 2947960 CC1=CC=CC=C1NC(=NC(=O)C2=CC=CC=C2)NC3=NC(=O)C=C(N3)CC(=O)OC 1 2.92 5 4 0 -19.4016716402469 2947950 CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NCCCN3C=CN=C3.Cl Cl- 1 2.788 3 1 -3.35233982857674 2947946 CCNC1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-] 1 2.505 3 2 -2.46381427732051 2947939 CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)NCC3CCCO3)[N+](=O)[O-] 1 3.162 3 4 0 -11.0847172540155 2947923 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O 1 1.383 2 5 0 -15.5464878869276 2947920 CC1=CC=C(C=C1)SC(C)C(=O)NCC2=CC=C(C=C2)OC 1 3.969 1 2 -6.57295558618691 2947909 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NC3CCS(=O)(=O)C3)C)C 1 2.599 1 4 -5.35544236182468 2947903 CCOC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.961 3 7 0 -28.1992666313186 2947893 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC2CCCCC2 1 3.939 2 3 -20.1987937655288 2947889 CC1CCC2=C(C1)SC3=C2C(=O)N4CCSC4=N3 1 3.476 2 1 -19.9794332942222 2947888 CNC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)OC 1 0.586 2 4 0 -13.7121035234713 2947885 CC(C1=C(C=CC(=C1)Cl)O)NC2=NC3=CC=CC=C3N2CC=C 1 4.429 3 1 0.348445024689484 2947882 C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(COC4=C(C=C(C=C4)Cl)Cl)O.Cl Cl- 1 5.193 3 2 -0.476256737689573 2947871 COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCNCC3 1 2.076 4 4 0 -7.29656716925676 2947870 CC1=CC=CC=C1OCC(=O)OC2CCN(CC2)C.Cl Cl- 1 2.117 1 3 -3.82832571206777 2947864 CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CSC4=NN=NN4C5=CC=CC=C5 1 3.894 7 1 0 -24.5377157581521 2947857 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC 1 2.794 2 4 -16.732559072125 2947852 C1=CC=C(C=C1)C(C2=CC=C(C=C2)O)NCCCO 1 2.26 1 2 3.20925851650713 2947851 CN(C)C1=C(SC(=C1[N+](=O)[O-])SC=C)Cl 1 2.758 2 2 -2.41048676369937 2947847 CC1CCN(CC1)S(=O)C23CC4CC(C2)CC(C4)C3 1 3.084 1 1 3.3253988563792 2947833 CC1=CC(=CC=C1)N2C3CS(=O)(=O)CC3N(C2=O)C4=CC=CC=C4C 1 3.199 2 3 -7.23756247457359 2947828 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 1.639 2 5 0 -17.429268037375 2947827 CC1=CC2=C(C=C1)OC(=C2C)C(=O)N(CC3=CC=C(C=C3)N(C)C)C4CCS(=O)(=O)C4 1 4.064 2 4 -2.26523040444047 2947814 COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)NC3=CC=C(C=C3)N4CCOCC4)OC 1 2.479 3 5 0 -11.6072468593926 2947810 CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)N)C 1 2.506 6 0 -5.85852496267771 2947809 CCN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3 1 4.368 5 2 0 1.51438462910281 2947807 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.334 3 5 0 -14.4015838234084 2947802 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)N2CCOCC2 1 0.458 3 4 0 -11.8556259293463 2947796 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCCO2 1 1.663 2 4 0 -12.9408468983328 2947787 C1CC(OC1)CNC(=O)CSCC2=C(C=CC=C2Cl)Cl 1 3.126 1 2 -18.2450570641154 2947783 CC1=C(C(NC(=S)N1)C2=CC=CS2)C(=O)NCC3=CC=CC=C3 1 3.135 3 1 -28.4682367065951 2947781 COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCCN3CCOCC3)[N+](=O)[O-] 1 2.19 4 5 0 -10.8126687097479 2947776 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4 1 1.059 2 5 0 -14.4669461853177 2947775 C1CCC(CC1)NC(=O)C2CC(=O)OC2C3=CC=CC=C3 1 2.644 1 3 -6.63690901004914 2947772 C1CC(OC1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl 1 2.181 3 3 -15.627712674259 2947768 COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O 1 2.585 2 5 0 -8.44276867776721 2947761 COC1=CC=CC=C1N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O 1 2.069 2 5 0 -7.21689541123131 2947759 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NN3C=NN=C3 1 0.284 5 3 0 -13.6337496510433 2947753 CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3CCCO3.Cl Cl- 1 2.011 4 3 0 -2.53347385622289 2947751 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C 1 0.902 2 4 0 -13.0292828615687 2947747 C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3CCCO3)C(=O)O 1 1.828 2 5 0 -15.3619105230206 2947741 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCCC(C2)C(=O)N 1 2.349 3 2 -8.12685363244819 2947737 CN1CCC(CC1)OC(=O)COC2=CC=C(C=C2)F.Cl Cl- 1 1.837 1 3 0 -3.19330594614631 2947730 CCN(C1=CC=CC=C1)C(=O)C2CCCO2 1 1.837 1 2 0 -13.6503449335966 2947724 CN1CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 3.325 1 2 -6.43733893440515 2947720 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.483 2 5 0 -16.5074385754367 2947714 CC1=NC(=NC=C1)SCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N 1 4.247 4 1 -29.3714987990454 2947713 C=CCNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=C3 1 1.553 3 4 0 -22.3678354343266 2947712 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NCCN2CCOCC2.Cl Cl- 1 2.1 2 3 -8.13235918696459 2947711 C1CN(CCN1CCNC(=O)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 1.874 5 2 0 -9.25404996740393 2947710 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=NCCS3)C 1 2.346 3 2 -12.4947010286192 2947705 C1=CC=C(C=C1)CCN2C(=O)C(C(=O)NC2=O)(CCC3=CC=NC=C3)CCC4=CC=NC=C4 1 3.53 4 3 0 -2.39409875943327 2947704 CN(CC(CN1C2=CC=CC=C2C3=CC=CC=C31)O)S(=O)(=O)C 1 2.207 2 3 0.857945605736887 2947701 C1=CC=C(C=C1)N2C(=NN=N2)COC3=CC=C(C=C3)Br 1 3.225 4 1 -7.35452486360345 2947697 CC(C1=C(C=CC(=C1)Cl)O)NN2C=NN=C2 1 1.291 4 1 0 3.76048596591173 2947696 C1=CC=C(C=C1)C(CC(=O)NC2=CC=CC=C2C(=O)O)CC(=O)O 1 2.165 1 5 -13.0336731446397 2947695 C1OC2=C(O1)C=C(C=C2)CC3(C(=O)NC(=O)N(C3=O)CCC4=CC=CC=C4)CCC5=CC=NC=C5 1 3.993 3 5 0 -1.49974411525801 2947690 CC1=CC=C(C=C1)SC(C)C(=O)N2CCC(CC2)C(=O)N 1 2.082 2 2 -5.5990956786681 2947688 COC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)OCO3 1 1.932 2 5 0 -13.5303114671562 2947684 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.373 3 6 0 -16.282906958985 2947675 CCCC(C)N1C2=C(C(=CC(=N2)C)C)C(=O)N1 1 2.876 3 1 -5.43433324610878 2947674 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2CC3CCC2C3 1 1.463 2 3 0 -8.73889681401339 2947673 CCOCC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.188 3 4 0 -6.27174654618896 2947671 C1=CC=C2C(=C1)C(=CN2)CCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 4.673 3 2 -1.59796425228011 2947667 COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCC3CCCO3)[N+](=O)[O-] 1 2.66 3 5 0 -13.2454911122671 2947666 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4 1 4.179 3 2 -6.39201643829434 2947661 COC1=CC=C(C=C1)C(=O)NCCN2CCCC2.Cl Cl- 1 1.621 2 2 0 -6.85731717454151 2947653 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)C(=O)C 1 2.405 2 4 -15.7168596566916 2947648 CN(C1=CC=C(C=C1)C(=O)NCC2CCCO2)S(=O)(=O)C 1 0.513 2 4 0 -17.4042550869847 2947645 CC1=CC=C(C=C1)SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 3.856 2 4 -8.92863992673853 2947641 CC1(C2(CCC1(C3=NC4=CC=CC=C4N=C32)C(=O)N)C)C 1 2.726 3 1 -1.50419596193669 2947640 CN(C)S(=O)(=O)N(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C2=CC=CC=C2 1 1.822 3 4 0 -11.9007224918255 2947636 CC(=C)CC1C23C=CC(O2)C(C3C(=O)N1C4=CC(=CC=C4)OC)C(=O)O 1 1.926 1 5 0 -3.29926749516571 2947633 C1C(CN(C1=O)C2=CC=C(C=C2)Br)C(=O)NC3=NC4=CC=CC=C4S3 1 3.26 3 2 -2.33683205060099 2947623 CC(C)C1=CC=C(C=C1)NC(=NC2=NC(=O)C=C(N2)CC(=O)OC)N 1 1.974 5 3 0 -13.4845421060066 2947620 C1C=CC2C1C(NC3=C2C=C(C=C3)C(F)(F)F)C4=CC=NC=C4 1 3.784 2 0 11.3020525205539 2947616 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)O 1 2.424 2 4 -10.1223030147558 2947611 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)CCCC4 1 2.55 3 4 0 -16.3793742934467 2947607 COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)NCC3CCCO3 1 2.158 1 5 -17.5927185783196 2947603 CC1=CC=C(C=C1)SC(C)C(=O)NCC2=CN=CC=C2 1 2.834 2 1 -8.68287877745208 2947598 C1CCN(C1)CCNC(=O)COC2=CC=C(C=C2)F.Cl Cl- 1 1.678 2 2 0 -7.24554158553048 2947593 C1COC(=O)C1SC2=NC3=CC=CC=C3S2 1 2.72 1 2 -1.04626104571982 2947589 COCCN1C2=CC=CC=C2N=C1COC 1 1.417 2 2 0 -4.9502689707994 2947583 COCCOCCN1C2=CC=CC=C2N=C1CCCO 1 1.447 2 3 0 -3.81082205063465 2947582 CC1=CC=CC=C1N2C(=O)C(C(=O)NC2=O)(CCC3=CC=CC=N3)CC4=CC(=C(C=C4)OC)OC 1 4.357 3 5 0 -7.02790280951101 2947567 C1=CC(=C(C(=C1)Cl)Cl)CC2(C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)CCC4=CC=NC=C4 1 5.974 3 3 1.92370632775471 2947565 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)C(=O)NCC4=CC=CO4 1 2.361 2 5 0 -11.4747104934677 2947564 CCOC1=C(C=CC(=C1)C(C#N)N2CCOCC2)OC 1 1.773 2 3 0 -7.92982353548616 2947560 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2 1 2.729 2 3 -16.3913943295252 2947549 CC1=CC=C(C=C1)SC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 4.237 2 1 -1.69900286175716 2947534 COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CCCCC3C(=O)O 1 3.029 2 5 0 -8.13420531756558 2947527 C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 3.231 3 3 -29.7123777422375 2947526 CC(C1=CC2=C(CCCC2)C=C1)NC(=O)C3=CC=C(C=C3)Br 1 5.26 1 1 -9.77363136167614 2947521 CC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4)O.Cl Cl- 1 4.35 3 2 -0.638351585075107 2947506 COC1=C(C(=C(C=C1)S(=O)(=O)NCC2CCCO2)Cl)Cl 1 2.412 1 4 -9.89720655189347 2947498 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCCC4)S(=O)(=O)C 1 3.676 3 4 0 -19.4609715301004 2947497 C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=O)N(C3C4=CC=C(C=C4)O)C5=NC=CS5 1 2.689 2 4 -4.94968894249453 2947489 C1CC(OC1)CNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.164 3 4 0 -17.4734108162527 2947486 C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)NC3=NOC=C3 1 3.631 2 2 0.614782055851283 2947484 CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4 1 3.76 3 2 -7.36397335760708 2947472 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=NC=CS3 1 1.382 3 3 0 -13.6667326681477 2947461 CN1C(=NN=N1)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.642 6 1 0 -24.2938594370292 2947457 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC=CS3 1 0.867 3 3 0 -7.35435967580473 2947452 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NCC2CCCO2 1 3.67 2 2 -11.3725482725205 2947450 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=N3 1 2.393 3 4 0 -19.9386480770549 2947435 CN1CCC(CC1)OC(=O)C2=CC(=CC=C2)OC.Cl Cl- 1 1.779 1 3 0 -6.5987664711121 2947420 CC1=CC=C(C=C1)S(=O)(=O)C2CCOC2=O 1 1.565 0 4 0 -6.25639829382069 2947414 CC1=CC=C(C=C1)OCC2=NN=NN2C3=CC=CC=C3 1 2.963 4 1 -7.71986380908884 2947404 COCC1=NC2=CC=CC=C2N1CCCOC3=CC=CC=C3 1 3.243 2 2 -2.30511629428158 2947400 COC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC 1 3.86 5 7 0 -25.2596694412521 2947396 CCN(CC)C1=C(SC(=C1[N+](=O)[O-])SC=C)Cl 1 3.455 2 2 -3.749127825399 2947386 CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C 1 3.095 2 3 -9.65410200715909 2947382 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCCO2 1 1.081 2 5 0 -24.8628693838003 2947374 CCOC1=CC=C(C=C1)N2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43 1 3.288 3 3 -4.35575107820097 2947372 CCOCC(=O)N1CCCC(C1)C(=O)OCC 1 0.476 1 4 0 -12.5253941412604 2947348 CCC1=CC=CC(=C1N(C(C)COC)C(=O)CN2C3=CC=CC=C3N=C2COC)C 1 4.066 3 3 -7.2089294857778 2947347 CN1C(=NN=N1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 0.738 6 4 0 -21.7475385553861 2947345 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC 1 1.798 2 6 0 -18.4656212968864 2947334 CCOCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C 1 1.416 2 4 0 -10.3443215327357 2947328 C1CC(CN(C1)C(=S)NC2=CC=CC3=CC=CC=C32)C(=O)N 1 3.565 3 1 -8.82829920100519 2947325 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)N)N3CCCCC3 1 2.634 3 3 -2.78135781617519 2947324 CCC(C(=O)NC1=NC=C(S1)[N+](=O)[O-])OC2=CC=CC=C2 1 2.473 3 4 0 -3.77843411656213 2947321 COC1=CC(=CC(=C1OC)OC)C(=O)NCCN2CCCC2.Cl Cl- 1 1.588 2 4 0 -10.4125598149592 2947309 CCCS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2F 1 2.077 2 2 -15.0554851390948 2947296 CC(C1=CC=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2Br 1 4.621 2 1 -8.96109181637234 2947295 CN(C)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.346 4 3 0 -9.95031871924119 2947291 CC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=O)(CCC3=CC=CC=N3)CC4=CC=C(C=C4)F 1 4.596 3 3 -0.482735330190174 2947289 CC(C1=C(C=CC(=C1)Cl)O)NC2=NC=C(C=C2)Br 1 3.686 2 1 2.46602021392845 2947286 CCOCC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC)OC 1 1.55 2 5 0 -34.3668982659909 2947278 COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)NC3=CC=CC=C3 1 2.76 4 2 -3.48047297278222 2947277 CC1=NC2=CC=CC=C2N=C(C1C3=CC=C(C=C3)Cl)NC(=O)C4=CC=CC=C4 1 4.736 3 1 -6.31543918618331 2947276 CCNC1=C(C=CC(=C1)N2CCNCC2)[N+](=O)[O-] 1 1.465 4 2 0 -5.84852400901715 2947275 COC1=CC2=C(C=C1)C(=C(N2)N3CCCC3)[N+](=O)[O-] 1 2.749 3 3 2.8408981977062 2947268 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 4.888 2 3 -19.2063246119381 2947265 CC1=C(N=CC=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC 1 1.744 3 3 0 -5.31618343840255 2947258 CC1=NN=C2N1C3=C(C4=C(S3)COC(C4)C(C)C)C(=O)N2C5=CC=C(C=C5)OC 1 3.463 4 3 0 -13.5539602078891 2947257 CC(C1=CC=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OC 1 3.856 2 2 -10.2118273651057 2947255 CC1=CC(=NC(=N1)SC2CCOC2=O)C 1 1.402 2 2 0 -3.90450560089676 2947252 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-] 1 4.038 4 4 0 -10.0015520375897 2947246 C1CN(CCN1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-] 1 3.034 4 3 0 -5.6095037397896 2947245 CN1CCC(CC1)OC(=O)COC2=CC=C(C=C2)OC.Cl Cl- 1 1.615 1 4 0 -4.46342575195526 2947242 C1=CC=NC(=C1)CCC2(C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)CCC4=CC=NC=C4 1 3.958 4 3 0 -1.67861380049945 2947228 C1CC2CC1CC2NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 1.226 2 4 0 -3.78988293636457 2947224 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(=O)OC)C 1 2.714 2 4 -10.9127072045063 2947204 C1COC(=O)C1SC2=NN=C(O2)C3=CC=C(C=C3)Br 1 2.684 2 3 -1.58260230464219 2947196 CC(C)C1CC2=C(CO1)SC3=C2C(=S)NC(=S)N3 1 3.993 2 1 -6.83589342722983 2947176 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCS(=O)(=O)C3)[N+](=O)[O-] 1 1.519 3 5 0 -15.2692377030952 2947175 CCOCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl 1 1.594 2 4 0 -7.53026146261848 2947168 COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3 1 3.115 3 4 0 -3.91185743756012 2947158 C1CCC(CC1)NC(=O)N2CCCC(C2)C(=O)N 1 1.043 3 2 0 -9.65848875476148 2947156 C1CC2CC1CC2NS(=O)(=O)C3=CC=C(S3)Br 1 2.697 1 2 -3.31890000351757 2947152 COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)C3CCCO3 1 2.035 2 5 0 -19.423294033285 2947149 CCOCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C 1 1.187 2 4 0 -10.7044571391224 2947148 CCC(C)NC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.743 2 5 0 -20.9594499756965 2947147 CCN1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCC4=CC=CC=C4C3 1 4.218 4 2 -2.89665012142128 2947141 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)OC(C)C 1 4.854 3 3 -10.0293581749036 2947140 COC1=CC=C(C=C1)CC(=O)NCCN2CCCC2.Cl Cl- 1 1.656 2 2 0 -8.68027168811001 2947134 CC1=CC(=NC=C1)NCC2=CC=CC3=CC=CC=C32.Cl Cl- 1 3.532 2 0 3.27741483299042 2947130 CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NCC2=CC=C(C=C2)Cl 1 3.019 2 3 -12.5925084468833 2947129 CC(C)OC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3F 1 2.801 2 3 -6.79604549166379 2947071 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.684 2 4 -8.90005766632753 2947059 CCC1=CC=C(C=C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)OC 1 1.698 1 4 0 -0.463961420269837 2947058 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)COC4=CC=C(C=C4)C 1 4.465 3 3 -6.16841087750136 2947057 CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=CC=C3)C4=CC=C(C=C4)OC)OCC 1 4.869 1 4 -10.5369394891665 2947047 CC1=CC=C(C=C1)SC(C)C(=O)NCCC2=CCCCC2 1 4.729 1 1 -9.60563520485561 2947042 CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=NN=C(S3)CC(C)C 1 4.291 3 2 2.55915707290868 2947028 CCCC(C)C(=O)NC1=CC2=C(C=C1)OCCO2 1 2.777 1 3 -13.7289645899584 2947027 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCCO2 1 1.125 2 4 0 -21.3660291074432 2947023 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])F)C(=O)C3=CC=CO3 1 2.368 3 4 0 -2.38909279368029 2947022 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 3.322 3 4 0 -19.9759916357265 2947018 CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=C(C=C2)F)N(C)C 1 2.701 2 2 -4.84304553074664 2947017 CC1(CC(CCO1)C(=O)NCCC(C2=CC=CC=C2)C3=CC=CO3)C 1 3.142 1 3 -20.7285902914804 2947015 C1=CC=C(C=C1)C(CC(=O)NCC2=CC=CO2)C3=C(C=CC(=C3)Br)O 1 4.084 1 3 -9.26908966563522 2947010 C1CCC(C(C1)C(=O)NCCC2=CC=NC=C2)C(=O)O 1 1.438 2 3 0 -8.42349794665138 2947008 C1=CC=C(C(=C1)NC(=O)C2=C(N=CN2)C(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-] 1 2.106 5 4 0 -9.68994677511404 2947006 CC(C)(C)N(CC1=CC=C(O1)C(=O)OC)CC2=CC=C(O2)C(=O)OC.Cl Cl- 1 3.075 1 6 0 -3.02401342974908 2946998 C1CC(OC1)CNC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 4.421 3 1 -10.9090133531512 2946991 CC1=CC=C(C=C1)C2=NN=C(SC2)NC(=O)CSC3=NC(=CC(=N3)C)C 1 3.783 5 1 -12.6963364896249 2946990 CC1CC(N2C3=C(C(=C(C=C13)C)C)C(=O)C2=O)(C)C 1 3.213 1 2 -2.00108757800159 2946978 CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCC4=CC=C(C=C4)F 1 5.299 2 0 -7.04433110011559 2946972 C1=CC=C(C=C1)CN=C(C2=CC=CC=C2F)NS(=O)(=O)C3=CC=CC=C3 1 4.239 2 2 -7.27177505461642 2946971 COC1=C(C=CC(=C1Cl)Cl)S(=O)(=O)N2CCCC2 1 2.72 1 3 -9.38439449643784 2946964 CC1(C2CCC(C2)(C1=C)C(=O)NC3=CC=C(C=C3)SC(F)F)C 1 4.795 1 1 -7.91612981750035 2946962 CC1=C(C(=C(C=C1)C(CC(=O)N2CCNCC2)C3=CC=CC=C3)O)C 1 3.17 2 2 -10.6379104830268 2946961 CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2COC3=CC=CC=C3O2 1 2.733 1 5 -9.8447176558162 2946938 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5 1 2.818 5 3 0 -13.8417322367872 2946931 COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NC23CC4CC(C2)CC(C4)C3 1 3.609 2 3 -9.74665638655682 2946926 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4 1 4.301 3 2 -2.37979848693859 2946925 COC1=CC=CC(=C1)NC2=NN=C(C=C2)NC3=CC(=CC=C3)OC 1 3.083 4 2 1.3080519277641 2946917 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COC5=CC=CC=C5)O 1 2.988 3 4 0 -5.2252331325305 2946912 C1CN(CC2=CC=CC=C21)CC(COC3=C(C=C(C=C3F)Br)F)O.Cl Cl- 1 4.259 1 2 -5.29012588382744 2946907 COCCN1C2=CC=CC=C2N=C1C3=CC(=C(C=C3)OC)OC 1 3.312 2 3 -5.41235766026522 2946904 CC1=CC(=NO1)NC(=O)C(C2CCCCCC2)C(=O)OC 1 2.748 2 4 -17.2616953938276 2946901 CC(C(=O)NC1CCCCC1)SC2=NC(=O)C=C(N2)N 1 1.637 4 2 0 -15.9869554407692 2946900 CCC1(C(OC(=O)C(C1=O)(C)C)C2=CC=CC=N2)CC 1 3.32 1 3 -3.763671810852 2946898 COCCN1C2=CC=CC=C2N=C1COC3=CC=C(C=C3)OC 1 3.164 2 3 -3.9855506164482 2946893 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 2.764 2 7 0 -23.1114865382054 2946892 CC1(C(=O)C2(CCCCC2)C(OC1=O)C3=CC=CS3)C 1 4.081 0 3 -6.32905674533825 2946890 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NC4=NOC=C4 1 1.969 3 4 0 -8.31967380165117 2946887 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N(C)C)C 1 0.713 1 3 0 2.17214123463269 2946881 CS(=O)(=O)N(CC(=O)O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3 1 2.838 1 4 -5.36749016389459 2946872 C1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3 1 4.176 3 3 -7.48399661804732 2946870 CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=CS3 1 2.64 1 3 -4.85975096836765 2946865 CC1CCCN(C1)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 5.834 3 0 -8.9207966897936 2946864 CN(C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)S(=O)(=O)C3=CC=CC=C3 1 2.997 2 5 0 -17.9312468089214 2946860 CC1=CC2=C(C=C1)C(=C(O2)C(=O)N(CC3=CC=CS3)C4CCS(=O)(=O)C4)C 1 3.642 1 4 -7.58605240160588 2946841 C1=CC=C2C(=C1)C(=CN2)CCNC3=C4C=CC=CC4=NC5=CC=CC=C53 1 5.36 3 0 0.973906382623909 2946840 CC1=CC=C(C=C1)S(=O)(=O)NC(=NC(C)C)C2=CC=CC=C2 1 3.662 2 2 -6.18358792302901 2946833 COCCN1C(=NNC1=S)C23CC4CC(C2)CC(C4)C3 1 2.862 3 1 -3.16264470823751 2946830 COC1=C(C=CC(=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3)NC(=O)C4=CC=CC=C4 1 2.261 2 5 0 -13.0618005364773 2946827 CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])OCO2 1 2.467 4 6 0 -12.650259380695 2946821 C1CCC(CC1)C(=O)N2CCC3=CC=CC=C3C2C#N 1 3.23 2 1 -8.17516042533236 2946819 CC1=CC=CC=C1NC(=O)C(C2CCCCCC2)C(=O)OC 1 4.096 1 3 -11.5201606539928 2946817 CC(=O)C1=C(NC(=O)NC1C2=CC=CS2)C3=CC=CC=C3 1 2.021 2 2 -20.0648778498564 2946808 C1CCN(CC1)C(=N)C2=CC(=CC=C2)[N+](=O)[O-].Cl Cl- 1 2.11 3 2 -6.40363512426837 2946800 C1CS(=O)(=O)CC1N(CC2=CC=CS2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 2.105 1 5 -19.4498020469593 2946789 CC1(C2(CCC1(CC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4)C)C 1 2.355 1 4 -12.7767350180396 2946788 C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=NC4=CC=CC=C4N3.Cl Cl- 1 2.304 4 1 3.04545782170362 2946787 CCOC(=O)CCC1=C(C2=C(C=C(C=C2)OC3CCCCC3=O)OC1=O)C 1 3.87 0 6 -15.8318273010677 2946785 C1CC(N(C1)C(=O)NC2=CC=CC=C2)C(=O)O 1 1.23 2 3 0 -6.93529360475387 2946772 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=N3 1 1.51 4 3 0 -7.31304112640415 2946767 C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 2.681 2 5 0 -9.9168419369546 2946766 C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCCCN3CCOCC3)[N+](=O)[O-] 1 1.444 4 4 0 -11.8834397890161 2946760 C1CN(CC=C1C2=CC=CC=C2)C(=O)C3CC=CCC3C(=O)O 1 2.532 1 3 -8.16905797046709 2946759 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)N5CCN(CC5)C 1 3.4 3 1 3.0855892739345 2946754 C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=S)NCCC4=CC=CC=C4 1 6.161 2 1 -12.3435232348742 2946750 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=C(N=C(S3)N)C 1 2.69 6 3 0 -15.8446086931305 2946748 CCC(C(=O)NC1=NN=C(S1)C)SC2=NC(=O)C=C(N2)C 1 1.347 5 2 0 -25.4786871868385 2946745 CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC3=C(C=C2)OCO3 1 1.43 2 6 0 -2.78384552779791 2946740 COC1=CC(=CC(=C1O)OC)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=C4C=CC=N5 1 3.815 2 4 -13.1980242853456 2946738 C1=CC=C(C=C1)OCCCCN2C3=CC=CC=C3N=C2CCCO 1 3.984 2 2 0.431519616176149 2946735 CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OC 1 2.933 1 4 -11.4196687284997 2946732 C1C=CCC2C1C(=O)N(C2=O)C3=NNC(=N3)C4=CC=CC=C4 1 2.217 4 2 1.61782222480746 2946727 C1CCN(C1)C(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3 1 1.69 2 2 0 -12.7091892579338 2946726 C1C(OC2=CC=CC=C2O1)C(=O)NCC(=O)O 1 0.292 1 5 0 -6.63447964847789 2946725 CCOC(=O)C1CCCN(C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(C)C 1 3.021 2 4 -1.0993077510784 2946719 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.348 3 4 0 -10.0599491576825 2946712 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3(CCCC3)C4=CC(=C(C=C4)OC)OC)C 1 3.832 4 5 0 -17.9742954783467 2946697 COC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 2.897 3 4 0 -6.90790092997804 2946691 CCN(CC)C(=O)CC(C1=CC=C(C=C1)F)C2=CC=CO2 1 3.106 1 2 -9.73949371420063 2946682 C1CC(OC1)CN2C(=NNC2=S)C3=CC=CC=C3F 1 2.666 3 1 -9.14598757284419 2946677 CN(CC(=O)NCC1CCCO1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 0.332 2 6 0 -24.7063398511166 2946675 CC1=C(C(=NN1CC(COC2=CC3=CC=CC=C3C=C2)O)C)C(=O)C 1 2.677 2 3 -2.87149304504105 2946670 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC(C2)C 1 4.488 2 2 -15.0697165786248 2946664 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N3CCCC4=CC=CC=C43)C 1 2.821 1 3 -4.5136216409867 2946660 C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)OCC4=CN=CC=C4 1 4.022 3 1 -0.728397620994409 2946654 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.087 3 3 -13.9482392799806 2946652 CC1(C(OC(=O)C(C1=O)(C)C)C2=CC=CO2)C 1 2.525 0 4 -7.01745964452777 2946645 CC(=O)C1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O)OC 1 2.183 3 4 0 -10.0312662378897 2946636 CN1C=C(C2=CC=CC=C21)C(CC(=O)O)C(=O)O 1 1.634 1 4 0 -6.04049503738122 2946633 COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 2.649 3 4 0 -4.68308920901616 2946629 C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)CO 1 4.624 2 2 -6.62601566477942 2946624 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NCCCN(C)C)[N+](=O)[O-] 1 2.608 5 3 0 -6.64333967623343 2946623 CCOC(=O)C(C(=O)C)SC1=NC(=NC(=C1)C)N 1 1.175 3 3 0 -7.71448398281162 2946622 C1C(OC2=CC=CC=C2O1)CC(=O)NCCC3=CC=CC=C3 1 2.857 1 3 -12.1179828724527 2946621 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.659 2 6 0 -18.3504806832627 2946618 CC1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C3CC=C(CC3C2=O)Cl 1 2.275 2 3 -12.3704623158312 2946610 CC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O 1 4.157 3 3 -11.0932944875231 2946605 CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC(C)C3=CC=CC=C3 1 2.975 5 2 0 -24.8362832363514 2946603 CC1=C(SC(=N1)N)C2=NN=C(N2C)SCC(=O)NC3=NC=CS3 1 0.866 7 1 0 -9.21681597274479 2946596 CC1=CC(=NC(=N1)NC(=NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4CCCCC4C3=O)NC5=CC(=C(C=C5)F)Cl)C 1 5.35 6 3 0 -7.48244496492061 2946587 CC1CC(=O)C=C(C1C(=O)OC(C)(C)C)O 1 1.346 0 4 0 -9.31638221694332 2946584 CCOC(=O)N1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 0.388 3 7 0 -17.4054003630216 2946580 CC1=C(C(=NN1CC(COC2=C(C=C(C=C2)C(=O)C)OC)O)C)Br 1 2.501 2 4 -10.939620920066 2946578 COC1=CC(=CC(=C1)C2=NCCN2)OC.Cl Cl- 1 1.084 2 2 0 -5.83255718192652 2946575 CC(C(=O)O)SC1=CC=CC2=C1C(=CC=C2)C(=O)O 1 2.875 0 4 -6.62930118289953 2946574 C1CCN(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.177 4 5 0 -19.9719512804029 2946562 CCCCN1C(=NNC1=S)C23CC4CC(C2)CC(C4)C3 1 4.321 3 0 -1.79962521812515 2946561 CC1=CC=C(C=C1)NC(=NC2=NC(=O)C=C(N2)CC(=O)OC)N 1 1.266 5 3 0 -13.7680018026582 2946558 CC(=O)N1C(CC(=O)OC1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 1 2.517 1 5 -4.97741618064544 2946553 C1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)Br)[N+](=O)[O-] 1 2.516 3 3 -5.24855105548501 2946547 C1=CC=C(C=C1)CN=C(C2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 4.903 2 2 -3.45290670159913 2946536 CC1(C2(CCC1(OC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4)C)C 1 2.303 1 5 -12.6140652997932 2946529 CN(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.959 3 3 0 -5.66157432263722 2946522 C1CS(=O)(=O)CC1N(CC2=CC=CS2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.969 2 5 0 -16.3193388893436 2946517 CCCC(=O)NC1=CC=CC=C1SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4 1 5.531 3 1 -11.8642295499231 2946512 CCN=C(C1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)Br 1 4.211 2 2 -3.52542574174553 2946511 CC1CCCN(C1)C(=S)NC2=CC(=C(C=C2OC)Cl)OC 1 4.916 2 2 -14.2836998660962 2946503 CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)NCCO)C4=CC=C(C=C4)C)C 1 4.201 3 2 -6.08013788807919 2946497 CC1(C(=O)C2(CCCCC2)C(OC1=O)C3=C(C(=C(C(=C3F)F)F)F)F)C 1 5.261 0 3 -4.50978027544647 2946490 COC1=CC(=C(C=C1)OC)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=CO4 1 2.806 4 4 0 -10.6833884271499 2946488 CN(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.014 3 5 0 -12.2136593291233 2946486 CC1CCC2=C(N1C(=O)C34CCC(C3(C)C)(C(=O)O4)C)C=CC(=C2)F 1 3.848 1 3 -10.0865221976682 2946484 CCCCC1=CC=C(C=C1)NC(=S)N2CCCC(C2)C 1 6.139 2 0 -10.5972114115035 2946462 CC1CN(CC(O1)C)C(=S)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.004 2 3 -11.8770296201981 2946457 C1CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4Cl)C5=CC=NC=C5)C(=O)C1 1 3.719 4 2 -26.4301941564881 2946449 CC(=O)C(C(=O)NC1=CC=CC=C1)SC2=NC(=NC(=N2)N(C)C)N(C)C 1 1.702 6 2 0 -9.48027949256182 2946442 C1CCC(CC1)N=C(C2=CC=C(C=C2)[N+](=O)[O-])N.Cl Cl- 1 2.845 3 2 -1.30941698514783 2946441 CCC(C)CN1C2=CC=CC=C2N=C1C(C)O 1 3.272 2 1 -3.35825029883013 2946430 C1COC(C2=CC=CC=C21)CNC(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Br 1 4.127 2 3 -15.6341469492425 2946420 CN(C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC)S(=O)(=O)C3=CC=CC=C3 1 2.541 2 5 0 -17.9312468089214 2946417 CC1(C2(CCC1(CC2=O)C(=O)N3CCC4=CC=CC=C43)C)C 1 2.861 1 2 -13.0973020982677 2946415 CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2CC3CCCO3 1 3.861 3 1 -6.24150121746022 2946413 C1=CC=C(C=C1)C2=CN(C=N2)CC(COC3=C(C4=CC=CC=C4C=C3)Br)O 1 4.648 2 2 5.36121252821246 2946403 CC1=CC(=NC(=N1)NC2=NC(=O)CC(N2C3=C(C=C(C=C3)Cl)Cl)C(=O)O)C 1 2.96 5 3 0 -6.41013283722696 2946400 CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 5.409 3 2 -13.4534957711318 2946393 CC1CC(CN(C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C 1 1.217 3 3 0 -14.3543361513935 2946384 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NN4C(=CC(=NC4=N3)C)C(F)F 1 3.591 6 1 0 -22.418035340616 2946380 CC1(C2(CCC1(OC2=O)C(=O)NC3=CC(=CC=C3)OC)C)C 1 2.511 1 4 -9.22791066829385 2946377 CC1(CC(CCO1)C(=O)NC2=NC=CS2)C 1 0.886 2 2 0 -8.497263954538 2946375 CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)OCC 1 3.125 2 3 -14.889570943779 2946368 C1=CSC(=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=COC=C4 1 2.712 4 2 -11.9307353694758 2946367 COC1=CC=CC=C1NC2=NN=C(C=C2)NC3=CC=CC=C3OC 1 3.083 4 2 -1.5369090568415 2946360 COC1=CC=CC(=C1)NC(=O)CC2COC3=CC=CC=C3O2 1 2.512 1 4 -5.57596578824038 2946351 CCC(C)C1=CC=C(C=C1)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C 1 3.702 4 1 -9.51794971051704 2946346 C1=CC2=C(C=C1Br)C(=O)N=C(N2)N=C(N)N.Cl Cl- 1 0.556 5 1 0 -3.15071165406052 2946342 CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C4=NN=NN34)C5=CC=C(C=C5)C)C 1 4.129 5 1 -14.0936546224098 2946339 CCCN1C2=CC=CC=C2C(C1=O)(C3CC(=O)CC(O3)(C)C)O 1 1.453 1 4 0 -2.78834927366652 2946332 CC(C)C1CC(CCO1)(CCNCC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3 1 4.796 2 1 -9.38863511364833 2946328 CC1=CC(=C(S1)C)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CSC=C4 1 3.269 4 1 -7.83995959941581 2946326 CN(CC(COC1=CC=CC=C1F)O)C2CCCCC2.Cl Cl- 1 3.505 1 2 -7.07005072470621 2946325 C1COCCN1C(=O)CC(C2=CC=C(C=C2)F)C3=CC=CO3 1 2.096 1 3 -10.8741355086215 2946322 C1=CC(=CC(=C1)O)C(=O)NN2C(=O)C3C4C=CC(C3C2=O)O4 1 -0.142 2 5 0 3.67491490711046 2946319 CCOC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)N(C)C 1 2.342 2 3 -7.5297594845734 2946312 C1COCCN1C2CC3=CC=CC=C3N(C4=CC=CC=C24)C(=O)N5CCOCC5 1 2.487 3 3 -3.78316518454933 2946292 CC(=O)NC1(CCCCC1)C2=NN=NN2CCOC(=O)NC3=CC=C(C=C3)Cl 1 2.465 6 3 0 -15.2002800337782 2946235 CCC1(C(OC(=O)C(C1=O)(C)C)C2=CC=CS2)CC 1 3.996 0 3 -6.10763682920608 2946236 CC(C)CC(C(=O)NC1=NCCS1)NC(=O)CC23CC4CC(C2)CC(C4)C3 1 3.804 3 2 -20.769573069786 2946238 C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)CN4CCOCC4)[N+](=O)[O-] 1 2.893 4 4 0 -7.0729278077622 2946244 COC1=CC(=CC(=C1)NC(=S)N2CCCC(C2)CO)OC 1 3.031 2 3 -11.7262322799662 2946258 C1CC(OC1)COC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4 1 3.948 2 2 -6.47218135298599 2946285 CC1CN(CC(O1)C)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.104 3 4 0 -15.0425238639997 2946284 C1CS(=O)(=O)CC1N(CC2=CC=CS2)C(=O)C3=CC=CO3 1 1.47 1 4 0 -15.0014957715616 2946283 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=O)C(S3)CC(=O)NC4=CC=C(C=C4)Cl 1 2.659 5 3 0 -17.1916776557978 2946276 CC1(C2(CCC1(OC2=O)C(=O)NCC3CCCO3)C)C 1 1.31 1 4 0 -16.5045758012648 2946270 CC(C(=O)NCC1=CC=CC=C1)N2C(=O)C3CC=C(CC3C2=O)Cl 1 1.795 2 3 0 -13.7195659680001 2946262 C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCC2=CC=NC=C2 1 3.229 3 2 1.3386206636867 2946226 CN1CCN(CC1)C(=O)C(C2CCCCCC2)C(=O)OC 1 2.196 2 3 -7.75132870697836 2946225 CC1=C(OC(C(C1=O)(C)C)C2=CN(C3=CC=CC=C32)C(=O)C)O 1 3.562 1 4 1.1568725952471 2946224 CC(=O)C1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)F)O)OC 1 3 2 4 -8.20769132357731 2946222 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.463 4 4 0 -4.60958972458742 2946221 CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N 1 3.624 4 2 -12.6339522122473 2946220 C1CCC(CC1)C2C(=C(OC3=NNC(=C23)C4=CC=CS4)N)C#N 1 4.281 4 1 -7.28553326342048 2946212 CC(C)N=C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CS2 1 2.962 2 2 -8.1007530813695 2946211 C1CC(OC1)CNC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-] 1 2.676 3 4 0 -12.9891790414963 2946210 CCOC(=O)C1CCCN(C1)C(=S)NC2=C(C(=CC=C2)Cl)C 1 5.01 2 2 -11.4903253592446 2946197 CC1=CC(=C(C=C1)C(CC(=O)NCC2=CC=CO2)C3=CC=CC=C3)O 1 3.822 1 3 -10.4372494525542 2946189 C1CCC(CC1)N=C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 4.513 2 2 -4.99450533388872 2946188 CC1=CC(=NN1C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3)C 1 1.626 3 4 0 -16.1465614364578 2946179 CC1=CC(=C(C=C1)OC)NC(=O)CC2COC3=CC=CC=C3O2 1 2.998 1 4 -7.81854742744613 2946175 C1=CC(=CC(=C1)Br)C(=O)NN2C(=O)C3C4C=CC(C3C2=O)O4 1 0.849 2 4 0 2.5356633445024 2946174 CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 3.236 2 5 0 -12.6727786496044 2946166 CC1=C(OC2=CC=CC=C12)C(=O)N(CC3=CC(=C(C=C3)OC)OC)C4CCS(=O)(=O)C4 1 3.383 1 6 0 -8.04301248800669 2946158 CC1(C(OC(=O)C2(C1=O)CCCC2)C3=CC=CO3)C 1 3.066 0 4 -7.19613505667508 2946148 C1CC(CN(C1)C(=S)NCCC2=CC=CC=C2)CO 1 3.114 2 1 -9.33255806062096 2946141 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.096 6 4 0 -22.7779838178753 2946140 CC12CCC3C1(CN(C2(C3)C#N)C(=O)C4=CC=CC=C4)C 1 2.644 2 1 -4.01850009620893 2946124 CCOC(=O)C1CCCN(C1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N 1 2.591 6 2 0 -1.81161812233292 2946116 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.364 3 3 -17.1413090710371 2946110 CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2)C3=CC=C(C=C3)F 1 4.725 2 2 -5.27490539218595 2946095 COC1=CC=C(C=C1)CNC2=NC(=O)CC(S2)C(=O)NC3=CC=C(C=C3)F 1 3.098 3 3 -6.4573700490019 2946092 CCC(=O)N1CCC2=CC=CC=C2C1C#N 1 1.77 2 1 0 -10.7821191829136 2946084 CC1=CC(=C(C=C1)O)C(CC(=O)NCC2=CC=CO2)C3=CC=CC=C3 1 3.822 1 3 -10.8300598018104 2946073 C1CS(=O)(=O)CC1N(CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 2.365 1 5 -17.6116894367649 2946072 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(C[N+](=O)[O-])O 1 0.523 2 5 0 -4.8074855692424 2946070 CC1=CC=C(C=C1)NC(=O)CC2COC3=CC=CC=C3O2 1 3.015 1 3 -5.42231074725913 2946068 CC(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Br 1 5.309 2 2 -11.5725293803426 2946067 C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4 1 3.32 2 4 -13.0160890263174 2946011 C1C(C(=O)N(C1=O)C2=CC(=CC=C2)O)C3=CC=CC=C3 1 2.242 1 3 0.824731598241948 2946020 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.652 2 6 0 -16.7261382660787 2946024 CC1=CC2=C(C=C1)NC(=O)C2(CC(=O)C3=CN=CC=C3)O 1 0.969 2 3 0 -11.0846633782896 2946026 CC(C1=CC=CC=C1)N2C(=NNC2=S)C3=CC=CC=C3F 1 4.268 3 0 -5.26501511472234 2946064 CC1=CC=C(O1)C(=O)CC2(C3=C(C=CC(=C3)Br)N(C2=O)CCC4=CC=CC=C4)O 1 4.033 1 4 -3.20165300060516 2946062 C1CCC(CC1)NC(=O)N2CCCC2C(=O)O 1 1.511 2 3 0 -10.0459293431143 2946059 CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.375 3 4 0 -10.7167725670885 2946052 CC(C)OC1=CC=C(C=C1)C(CCNCC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3 1 5.689 1 3 -8.17733381107373 2946047 CCN(CC1=CC=CC=C1)CC(COC2=CC=CC=C2)O.Cl Cl- 1 3.373 1 2 -1.96522149232425 2946039 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C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(=O)N 1 0.72 4 3 0 -5.43737957549923 2945612 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5 1 2.521 5 4 0 -22.7631713963638 2945603 CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)CC(=O)NCC2CCCO2)C 1 1.824 2 4 0 -15.967726840123 2945600 C1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC(=CC=C2)[N+](=O)[O-])N 1 1.492 3 4 0 -7.05975928478187 2945595 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 1.316 3 6 0 -10.318624924521 2945590 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CSC=C3 1 2.775 4 1 -9.02441670363315 2945586 C1=CC=C(C=C1)CCN2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=NC=C5 1 3.734 2 4 -9.27385640906161 2945579 C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)F.Cl Cl- 1 4.96 1 1 -5.97094203354634 2945576 CCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)N(CCC4)C)C(=O)CC(C2)(C)C)C 1 3.609 2 3 -42.0916271596646 2945566 CC1=CC(=CC=C1)OCCCN2C3=CC=CC=C3N=C2CO 1 3.321 2 2 2.45737260651929 2945559 C1=CC=C(C=C1)C2C3C(C(=O)NC3=O)N4N2C5C(C4C6=CC=CC=C6)C(=O)NC5=O 1 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3.619 4 4 0 -7.09600291910658 2945485 CC1CCC2=C(C1)SC(=N2)NC(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.904 4 3 0 -8.11968840792548 2945478 CC(C)CN1C(=NNC1=S)C23CC4CC(C2)CC(C4)C3 1 4.185 3 0 -3.55082652084946 2945472 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCN5CCCC5C4 1 3.279 5 1 -3.46303555801993 2945463 CCOC(=O)C1CCCN(C1)CC2=NC(=NC(=N2)NC3=CC=CC=C3)N 1 1.927 6 2 0 -3.79027095129309 2945459 CC1=CC(=NC(=N1)NC2=NC3CCCCC3N2)C 1 1.763 5 0 0 -3.72767652725147 2945449 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2CC(=O)N=C(S2)NCC3=CC=C(C=C3)OC 1 3.273 4 5 0 -11.0309522719249 2945445 C1C(OC2=CC=CC=C2O1)CC(=O)NC3=CC=CC=N3 1 1.917 2 3 0 -5.35749311379921 2945422 CCC(C)CN1C2=CC=CC=C2N=C1C(C)C 1 4.589 2 0 -2.42716771861927 2945415 CC1=CC(=NC(=N1)NC2=NC(=O)CC(N2C3=CC(=C(C=C3)F)Cl)C(=O)O)C 1 2.501 5 3 0 -8.58786565934112 2945411 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=CC=N3 1 2.014 3 4 0 -4.58713388329085 2945410 CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 2.387 5 4 0 -8.61157247377494 2945404 CC(C1=CC=CC=C1)N2C(=NNC2=S)C3=CC=C(C=C3)Cl 1 4.727 3 0 -2.03634056797879 2945392 CC1(C2(CCC1(OC2=O)C(=O)NCC3=CN=CC=C3)C)C 1 1.384 2 3 0 -13.4417007629774 2945390 CC1=NC(=CC=C1)NC(=O)C(C2CCCCCC2)C(=O)OC 1 3.281 2 3 -7.5907131993841 2945389 CC1=NC(=CS1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)C4=C(C=CC(=C4)OC)OC 1 3.087 3 4 0 -5.67265546915929 2945384 COC(=O)C(C1CCCCCC1)C(=O)NC2=NC=CC=N2 1 2.352 3 3 -10.0040231294589 2945381 C1=CC(=CC=C1NC(=O)C2=C(NC=N2)C(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-] 1 2.106 5 4 0 -8.36105144846374 2945376 COC1=CC=CC(=C1O)C(C#N)N2CCCCC2 1 2.428 2 2 -1.45768424146987 2945351 CC(C(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)SC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4 1 5.268 4 2 -9.17501525000285 2945349 CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C4=NN=NN34)CC5=CC=CC=C5)C 1 3.649 5 1 -13.7634872172965 2945343 CC1=C(C(=CC=C1)C(CC(=O)NCC2=CC=CO2)C3=CC=CC=C3)O 1 3.822 1 3 -12.2376040417009 2945340 C1C(CC(=O)C=C1NC2=CC=CC=C2N)C3=CC=CO3 1 1.967 2 2 0 -13.3939064394909 2945339 CC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O 1 4.613 3 3 -14.6280906794667 2945337 CC(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 4.561 2 2 -12.1294237082763 2945330 CC(C1=CC=CC=C1)N2C(=NNC2=S)C3=CC=C(C=C3)C(C)(C)C 1 5.463 3 0 -1.28020510945431 2945327 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC4=CC=CC=C4C=C3)O 1 2.054 3 5 0 -19.3249949935024 2945320 C1=CC=C2C(=C1)C=CC(=C2Br)OCC(CN3C=CN=C3)O 1 2.701 2 2 4.88697513983773 2945315 COC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CO3 1 1.714 1 5 0 -12.5931214687194 2945312 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)N(C)C3=CC=CC=C3 1 1.821 4 2 0 -13.0006572463142 2945310 C1CN(CCC1CC2=CC=CC=C2)CC(COC3=CC=CC=C3F)O.Cl Cl- 1 4.304 1 2 -0.227929764495377 2945306 C1=CC=C(C=C1)CN=C(C2=CC(=CC=C2)[N+](=O)[O-])N.Cl Cl- 1 2.57 3 2 -4.9564732158223 2945303 C1CCC(CC1)NC(=O)C2=C(N=CN2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.182 5 4 0 -12.6294087615989 2945301 C=CCN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=CC=N3)O 1 1.734 2 3 0 -13.2360781310987 2945295 C1CCC(CC1)N=C(C2=CC=C(C=C2)Cl)N.Cl Cl- 1 3.615 2 0 3.01842955570994 2945292 COC1=CC(=C(C=C1)OC)C(=O)C2CC(=O)OC2 1 1.337 0 5 0 -3.18133557242468 2945291 CC(C)N=C(C1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)Br 1 4.589 2 2 -3.20060271944747 2945285 COC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5CCCCC5 1 4.686 4 3 0 -2.76585169047959 2945282 COC1=CC=C(C=C1)NC2=NN=C(C=C2)NC3=CC=C(C=C3)OC 1 3.083 4 2 0.558605281543846 2945280 CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCC4=CC=CC=C4 1 5.093 2 0 -8.57102303036044 2945278 CC1=CC=C(C=C1)OCC(CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3)O 1 4.114 1 5 -12.3291215119455 2945266 C1CCC(CC1)N=C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 4.308 2 2 -6.89542346063837 2945254 COC1=CC=C(C=C1)NC(=O)C(C2CCCCCC2)C(=O)OC 1 3.593 1 4 -9.98845716240638 2945245 CC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)OC)C 1 3.541 3 2 0.608718736092515 2945221 CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCCN4CCOCC4 1 3.336 3 1 -11.3598274253325 2945219 CC1=C(C(NC(=S)N1)C2=CC=CS2)C(=O)NC3=CC=CC=C3F 1 3.334 3 1 -27.8168949781044 2945215 CC1=CC(=C(C=C1)OC)NC(=O)C23CCC(C2(C)C)(C(=O)O3)C 1 2.998 1 4 -11.0446409181891 2945212 C1CCC(CC1)NC(=O)CC2COC3=CC=CC=C3O2 1 2.81 1 3 -10.522831307836 2945206 CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=CC=C4 1 2.627 5 3 0 -14.2425700511878 2945202 C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CN=CC=C3 1 2.75 4 3 0 -7.81784947286998 2945201 CCN1C(=NNC1=S)C(C)NC(=O)C2=CC=C(C=C2)Cl 1 2.659 4 1 -10.2423757854318 2945197 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NN=NN3C4=CC=C(C=C4)F 1 2.685 5 3 0 -7.78346840623665 2945189 CCN(CC)CC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN(CC)CC 1 3.038 4 3 0 -4.51320243026949 2945181 CC1(C2(CCC1(CC2=O)C(=O)NC3=CC=CC=C3N4C=CC=C4)C)C 1 3.456 2 2 -11.0322653292614 2945179 CC1=CC(=CC=C1)OCC(=O)NN2C(=O)C3C4C=CC(C3C2=O)O4 1 0.422 2 5 0 4.01075428257025 2945175 CCN1C(=O)C2=CC(=C(C=C2N=C1SCC3=CC=CC=C3)OC)OC 1 4.136 2 3 -14.4530035966357 2945170 C1COCCN1CC(COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)O 1 3.197 1 4 -5.6578977865346 2945168 CC1CCC2=C(C1)SC(=N2)NC(=O)CSC3=NC4=CC=CC=C4O3 1 3.714 3 2 -12.1135350541704 2945150 CC1=CC(=C(C=C1)NC(=S)N2CCCC(C2)CO)C 1 4.036 2 1 -9.56611450258021 2945145 C1C(CC(=O)C2=C1N(N=C2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5Cl 1 5.021 3 1 -2.48784009852816 2945144 COC1=CC=C(C=C1)NC(C#N)C2=CC=CC=C2OCC3=CC=CC=C3 1 4.638 2 2 -3.77684498803094 2945141 CC(=O)N(CCC(C1=CC=CC=C1)C2=CC=C(C=C2)OC)CC3=CC(=C(C=C3)OC)OC 1 4.758 1 4 -10.9793212274415 2945131 C1CN=C(N1)C2=CC=C(C=C2)Cl.Cl Cl- 1 1.781 2 0 0 -1.84433868781502 2945119 CCCCSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3 1 5.476 2 0 -3.63794831792691 2945113 CC(C(=O)NCC1=CC=CO1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3 1 4.741 3 2 -6.76091785611127 2945112 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)OCC4CCCO4 1 4.435 2 2 -5.82925193965839 2945108 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C43 1 2.165 2 4 -19.6539690504189 2945089 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCS(=O)(=O)C3 1 0.123 2 5 0 -26.4930876905504 2945083 CCOC(=O)C1CCCN(C1)C(=S)NC2CCCC2 1 3.407 2 2 -14.3426983818362 2945072 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4CCCO4 1 2.036 3 6 0 -15.2198189044894 2945069 COC1=CC=C(C2=CC=CC=C21)C(CC(=O)OC)N.Cl Cl- 1 1.811 1 3 0 -3.69637447973536 2945068 CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=NN=C(CS4)C5=CC=CC=C5 1 5.919 7 1 0 -18.6703655925895 2945063 CC1=NC2=CC=CC=C2N1CC(COC3=CC=CC(=C3)OC)OC(=O)C 1 3.296 2 4 2.48168109971097 2945062 C1=CC=C(C=C1)OCCCCN2C3=CC=CC=C3N=C2CO 1 3.414 2 2 2.2840455053522 2945058 C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-] 1 4.212 4 3 0 -3.51270560573175 2945051 C1=CC=C(C=C1)CN=C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 4.781 2 2 -6.71012250172341 2945049 CC1=CN=C(C=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O 1 1.857 3 3 0 -14.3884260599367 2945044 CC1=CC=CC=C1NC(=O)C2CC(=O)N=C(S2)NCC3=CC=C(C=C3)OC 1 3.379 3 3 -9.09601500702416 2945039 CCCC1=NN=C(S1)NC2=C3C=CC=CC3=NC4=CC=CC=C42 1 4.123 4 0 2.12246848238779 2945034 C1C(SC(=NC1=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.525 2 1 -4.0407899006213 2945031 CCCC1=CC=C(C=C1)OCC(CN2CCC3=CC=CC=C3C2)O.Cl Cl- 1 4.498 1 2 -5.4586960475676 2945025 COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NCC4CCCO4 1 2.482 4 3 0 -14.9133764340086 2945019 C1CN(CCN1C(=O)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.757 3 5 0 -23.7811360632904 2945018 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)C3=NC=C(C=C3)Cl 1 3.48 2 2 1.2472125972883 2945017 C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC=C(C=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5 1 4.815 2 4 -17.8099739418204 2945011 CC(CNC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)[N+](=O)[O-])O 1 2.245 4 4 0 -6.46813180628629 2945003 CC1=C(C(=NN1CC(COC2=C(C=C(C=C2)C(=O)C)OC)O)C)C(=O)C 1 1.492 2 5 0 -13.0740485595616 2945002 C1=CC=C(C=C1)C(CN2C(=O)C3C4C=CC(C3C2=O)O4)O 1 0.34 1 4 0 4.07113150006586 2945000 C1CC(OC1)CN2C(=NNC2=S)C3=CC=CC=C3Cl 1 3.125 3 1 -8.40328207932772 2944998 C=CCOCCN1C(=O)C2C(C=CC(C2C1=O)C3=CC=CC=C3)C4=CC=CC=C4 1 3.488 1 3 -5.91732918435244 2944994 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NCC(=O)OC)C)C 1 2.254 1 3 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2943616 CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)N 1 2.417 3 0 -3.44683920344896 2943612 C1CC(OC1)CNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-] 1 3.546 4 5 0 -16.3819096419974 2943611 COC1=CC=CC(=C1)N2C(C3=CC=CC(=C3C2=O)C(=O)O)CC=C 1 3.154 1 4 -14.7173073407409 2943604 COC1=CC=CC=C1C2CC(=O)NC3=CC4=C(C=C23)OCCO4 1 2.329 1 4 -9.87493210415872 2943598 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCO2 1 1.139 1 6 0 -17.1127015192992 2943589 C1CCCN(CC1)C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4 1 2.157 2 4 2.68048300927009 2943585 CC1=CC(=C(C=C1)C)OCCCN2CCNCC2.Cl Cl- 1 2.408 2 1 -0.178746290664101 2943575 COC1=CC=C(C=C1)OCC(CNC2=CC=C(C=C2)Br)O 1 3.492 1 3 -3.51971912652723 2943559 C1COCCN1CC(COC2=CC=C(C=C2)OCC3=CC=CC=C3)O 1 2.696 1 4 -5.87984131518114 2943555 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(S2)Br 1 2.112 1 4 -14.8964658336334 2943549 CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O 1 4.514 2 5 0 -9.94425916080936 2943548 CC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2OCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4 1 2.794 3 4 0 -26.4600391795115 2943545 CC(C)C1=CC=CC=C1NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.497 3 5 0 -20.0306476957454 2943543 C1C=CCC(C1C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC=CS3)C(=O)O 1 1.598 3 4 0 -9.75572584687479 2943525 C1CC(OC1)CN2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)CC5CCCO5 1 0.612 2 6 0 -10.317891035087 2943524 CC1C2C34C=CC(O3)C(C4C(=O)N2C(CC1=O)C5=CC=CO5)C(=O)O 1 0.109 1 6 0 -3.54980782689827 2943521 C=CCNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3 1 1.546 3 4 0 -19.0468671729698 2943519 CC1=C(C=C(C=C1)N2C(C(C2=O)OC3=CC=C(C=C3)OC)C4=CC(=C(C=C4)OC)OC)C 1 5.145 1 5 -8.84649621273767 2943516 CCS(=O)(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-] 1 0.865 3 4 0 -9.08138053346603 2943513 COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)[N+](=O)[O-] 1 2.575 2 7 0 -1.99981233348145 2943507 CC(CC1=NSC(=N1)NC(=O)C2=CC=CS2)O 1 1.347 3 2 0 -4.48470941438476 2943506 CC1=C(C(NC(=O)N1)C2=CC(=CC(=C2O)OC)Cl)C(=O)NCC3=CC=CC=C3 1 2.407 3 4 0 -27.3515283376955 2943505 CC1CC2=CC=CC=C2N1C(=O)NC3=CC4=C(C=C3)N(C(=N4)C)C 1 3.163 4 1 -4.98858529943681 2943503 CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N(C)C)C2=C(C=CC(=C2)Cl)OC)[N+](=O)[O-] 1 2.817 3 6 0 -14.5324030567454 2943499 CC(=O)NC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 2.174 4 6 0 -18.6755435831667 2943492 CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3F)C(=O)N4CCOCC4 1 1.561 2 3 0 -32.8923339819914 2943489 CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CCN3CCOCC3 1 2.546 2 4 -11.1898327751415 2943448 CCNC(=O)C1=CC2=C(C=C1)NC(C3C2C4CCC3C4)C5=CC=CC=C5 1 4.126 2 1 -7.79716847238551 2943439 CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=C(C=CC(=C2)C)OC)S(=O)(=O)C 1 2.511 3 5 0 -25.9547388087214 2943434 CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)N4CCOCC4 1 1.107 2 6 0 -38.3280664961747 2943430 CC1=CC=CC=C1N2C(=O)CC(C2=O)N3CCC(CC3)C(=O)N 1 0.976 3 3 0 -0.224470559053031 2943406 CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O 1 2.685 2 4 -4.27338958761969 2943399 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(O4)[N+](=O)[O-] 1 3.304 2 4 -5.83691981093362 2943362 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CS3 1 2.762 1 2 -8.29738045395068 2943349 CC1=CC2=C(C=C1)N3C(C4C2OCC4)C56C=CC(O5)C(C6C3=O)C(=O)O 1 0.796 1 5 0 -0.751699518531589 2943337 CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)OC 1 2.612 4 4 0 -1.07005306524851 2943319 C1CCC(C(C1)O)SC2=NC3=C(CCCC3)C=C2C#N 1 4.05 2 1 -6.87199816082918 2943317 C1C(CN(C1=O)CC(=O)OCC2=CC=CC=C2F)C3=CC=CC=C3 1 2.682 1 3 -6.86225964578015 2943305 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC4=NSN=C43 1 3.103 3 2 -7.58862682558279 2943299 C1CC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)N4CCOCC4 1 2.073 3 2 -20.0902862454056 2943294 CC1=CC=C(C=C1)C(=NOC(=O)C(C)C2=CC=C(C=C2)[N+](=O)[O-])N 1 3.264 3 4 0 -1.30466299298422 2943284 CC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)Cl)OCC(=O)O)OC)C3=CC=CC=C3 1 2.287 2 6 0 -27.1473352937235 2943279 COC(=O)C1C2C=CC3(C1C(=O)N(C3)CC4=CC=CO4)O2 1 -5.6e-002 1 5 0 -1.84118509307216 2943275 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CC=C3OC)C 1 2.849 2 3 -14.2227082946401 2943266 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 2.942 1 4 -8.35851896976368 2943223 CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 2.025 3 5 0 -25.4638303299781 2943211 CC1=C(C=CC(=C1)NC(=O)C2CC=CCC2C(=O)O)NC(=O)C3=CC=CC=C3 1 3.087 2 4 -11.7453843114586 2943203 CSC1CCCCC1(CSC2=NC3=C(CCCC3)C=C2C#N)O 1 4.52 2 1 -9.06101748754389 2943200 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)OC3=CC=CC=C3)SCCO 1 2.511 1 4 -0.752297039393844 2943196 CN(C)S(=O)(=O)NCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] 1 1.049 4 4 0 -4.78628516657978 2943191 CC(C)(C)C1=C(C=C(O1)C(=O)O)CN2CCOCC2.Cl Cl- 1 -0.727 1 4 0 -3.1150450259795 2943181 CC1=C(C=CC=C1Cl)N=C(N)N=C(N)N 1 1.134 5 0 0 3.58255303197818 2943179 C1CC2=CC3=C(C=C2C1)NC(=O)CC3C4=CC(=CC=C4)Cl 1 4.281 1 1 -3.26786541707228 2943175 COC1=CC(=CC=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=CC=CC(=C3)OC 1 2.667 2 8 0 -8.79034043653599 2943164 CC(C)OC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.364 2 5 0 -9.13568875334727 2943162 C1CC(OC1)C(=O)NC2=C(C=C(C=C2)O)C(=O)O 1 0.671 1 5 0 -13.4880753611321 2943135 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3CCCO3 1 0.81 2 5 0 -26.9314720580843 2943134 CCOC1=CC=C(C=C1)NCC2=CC=CC=C2OCC3=CC(=CC=C3)F.Cl Cl- 1 5.327 1 2 -0.507494465655734 2943133 CCC1=CC=CC2=C1N(C=C2C(=O)C(F)(F)F)CC(=O)NCC3CCCO3 1 3.518 2 3 -20.5128402059935 2943132 C1CCN(C1)C(=O)CC(C2=CC=CC=C2)C3=C(C=CC(=C3)Br)O 1 3.986 1 2 -4.27348092419078 2943124 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC(C)C2=CC=CC=C2 1 2.471 2 4 -19.9369395347932 2943113 CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Cl)OCC=C)Cl)C(=O)OC 1 2.994 2 4 -33.147236958412 2943101 CC(C)CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCO2 1 2.75 1 3 -4.87075549306166 2943089 C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Cl 1 3.849 1 2 -2.94316069675349 2943076 CC(C)COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.594 2 5 0 -24.7722085493554 2943075 CCCN(CCC)C(=O)CC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)O 1 5.27 1 2 -5.3792366522771 2943073 CC1=C(C=CC(=C1)NC(=O)C2CCCCC2C(=O)O)NC(=O)C3=CC=CC=C3 1 3.532 2 4 -11.436820951257 2943069 CC1=C(C2=C(O1)CCCC2)C(=O)NCCO 1 1.131 1 3 0 -10.7523841852968 2943068 CCS(=O)(=O)CCSC1=NC2=C(CCCC2)C=C1C#N 1 3.106 2 2 -16.6280842944018 2943065 CCN(C1=CC=CC=C1)C(=N)N=C(N)N 1 0.538 5 0 0 -3.83823972039437 2943047 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3CCCO3 1 2.001 2 5 0 -21.0494959234866 2943033 CC1=CC(=NC(=N1)SC2CCCCC2O)C 1 2.57 2 1 -0.943578085198152 2943028 C1OC2=C(O1)C=C3C(=C2)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Cl 1 3.294 2 3 -2.83234623013744 2943019 CC(=O)C1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O 1 4.995 1 3 -6.22014740528488 2943014 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=CC=CC=C2 1 3.37 2 4 -9.85180515205464 2943009 CC1=CC=CC=C1C(=O)NCC2=NN=C(N2C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.849 6 2 0 -20.9225511153008 2943006 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)F)F 1 2.498 2 4 -15.0989530615356 2942999 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C 1 3.193 3 6 0 -15.9144759112143 2942998 CC(C)CNCC(=O)NC1=C(C2=C(S1)CCC2)C(=O)NC3=C(C=C(C=C3)OC)OC 1 3.077 3 4 0 -23.6404440557041 2942991 CC(=C)CC(C1=CC=CC=C1)N(C2=CC=CO2)C(=O)C 1 3.381 1 2 -5.79331644022202 2942979 CC(=C)CC(C1=CC=CO1)NCCC2=CC=CC=C2.Cl Cl- 1 3.974 1 1 -5.45442672792323 2942977 C1CCC(CC1)OC(=O)C(CC(=O)O)N2CCOCC2 1 -1.597 1 5 0 -13.361124244546 2942971 CCOC1=CC=C(C=C1)C2CC(=O)NC3=CC(=C(C=C23)OC)OC 1 2.859 1 4 -9.23285843393774 2942960 COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C5=CC=CC=C5 1 4.944 4 1 4.7787718446856 2942959 CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3 1 5.198 2 2 -17.8444554030505 2942947 CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)C(=O)OC 1 2.286 2 4 0.611584883038156 2942944 CSC1CCCCC1(CSC2=NC3=CC=CC=C3O2)O 1 3.8 1 2 1.24793977017483 2942941 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)C(=O)C4=CC=CC=C4 1 3.009 5 3 0 -5.71825927960199 2942939 CCCNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC(=C3C)C 1 2.774 3 4 0 -17.8883834661404 2942938 CSC1=CC=C(C=C1)C2C3=CC4=C(C=C3OC(=C2C#N)N)OCO4 1 3.171 2 3 -2.44922798025444 2942933 CC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)OCC3=CC=CC=C3)O 1 2.225 2 4 -7.64991954702033 2942930 COC1=CC=CC(=C1)NC(=O)COC2=CC=C(C=C2)N3CC(CC3=O)C(=O)NCC=C 1 1.53 3 5 0 -18.9660658637712 2942929 CC(C)OC1=CC=C(C=C1)NC2=NC=NC3=CC=CC=C32.Cl Cl- 1 3.55 3 1 5.49517377344728 2942924 CS(=O)(=O)N1CCC(CC1)C(=O)NCC2CCCO2 1 -0.591 2 4 0 -21.3636110617217 2942919 COC1=CC=C(C=C1)OC2C(N(C2=O)C3=CC=C(C=C3)F)C4=CC(=C(C=C4)OC)OC 1 4.378 1 5 -7.85130434742097 2942915 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])SC4=NN=CN4C 1 3.186 6 4 0 -22.5145187141976 2942910 COC1=CC2=C(C=C1)NC(C3C2OCC3)C4=CC=CO4 1 2.273 1 3 -6.35471538342891 2942907 C1CC(OC1)C(=O)NC2=CC=CC=C2C(=O)O 1 0.913 1 4 0 -14.4636336696933 2942906 COC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CN=CC=C3 1 2.734 4 4 0 -7.85729405317475 2942896 CC1=C(C(=O)N2C(=N1)N=CN2)NC(=O)C3=CC(=CC=C3)OCC(C)C 1 0.747 5 3 0 -14.1260219332022 2942880 C1COC2C1C3C45C=CC(O4)C(C5C(=O)N3C6=CC=CC=C26)C(=O)O 1 0.309 1 5 0 -2.24418518217187 2942877 C1CC(OC1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)O 1 1.577 1 4 0 -12.6375733178196 2942875 C1CCC(C(C1)O)SC2=NC3=CC=CC=C3S2 1 3.888 1 1 1.9940183934032 2942873 C1CC(OC1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O 1 0.542 1 6 0 -15.6299075670067 2942868 CC1CCC2=C(N1S(=O)(=O)C3=C(C=CC(=C3)OC)OC)C=C(C=C2)F 1 3.604 1 4 -8.12737725563269 2942864 CC(C(=O)NC1=CC(=CC=C1)N(C)S(=O)(=O)C)SC2=CC=CC=C2 1 2.609 2 3 -10.674661459 2942858 C1CCC2=C(C1)N=C(S2)NC(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O 1 1.837 3 4 0 -7.69764819145579 2942855 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.683 3 4 0 -9.65622244169192 2942850 C1CC(OC1)CNC2CC(=O)N(C2=O)C3=CC=C(C=C3)F 1 1.044 2 3 0 -9.05853617077661 2942846 CCC(C)NC(=O)C1=CC=CC=C1NC(=O)NC2=CC=CC=C2 1 2.981 3 2 -16.4749835677445 2942845 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC=C(S3)Br 1 2.319 3 2 -9.43642842738046 2942842 CCCCS(=O)(=O)C1=C(C2=CC3=C(CCCC3)N=C2S1)N 1 3.493 2 2 -14.8831154121547 2942839 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.216 3 6 0 -15.7745723646542 2942821 C1CC(OC1)CNC2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl 1 1.503 2 3 0 -7.94841450565504 2942820 CC1=CC(=NC(=C1C#N)SCC(CS(=O)(=O)CC2=CC=CC=C2)O)C 1 3.078 2 3 -13.1172821359272 2942807 CC1=CC2=C(C=C1)C(=NC(=N2)SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C 1 6.194 2 1 -2.19580289522444 2942805 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2Cl)O)OC)C(=O)NCC3=CC=CC=C3 1 2.407 3 4 0 -27.660542449432 2942794 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CS2 1 1.544 1 4 0 -15.8993652316415 2942788 CC(C)(C)C1=CC(=C(O1)C(=O)O)CN2CCOCC2.Cl Cl- 1 -0.727 1 4 0 -3.36731495310036 2942787 CN1C2=C(N=C1SCC3=NC(=NC(=N3)N(C)C)N)N(C(=O)N(C2=O)C)C 1 0.408 9 2 0 -15.6380039409519 2942776 C1=CC(=C(C=C1Cl)Cl)C2=NC(=NN2)SC3=NC=C(C=C3)[N+](=O)[O-] 1 4.766 5 2 0 2.03179151968802 2942761 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC(CSC2=NC3=C(CCCC3)C=C2C#N)O 1 5.223 2 3 -14.5564122659868 2942746 CNC1=C(C=CC(=C1)N2CCN(CC2)C)[N+](=O)[O-] 1 1.652 4 2 0 -2.40992451595411e-002 2942743 CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)SC3=CC=C(C=C3)Cl 1 5.675 1 1 2.0919145271181 2942741 COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NC4=CC=CC=C4C(=O)NCC5=CC=CO5 1 4.848 3 6 0 -22.0634322312184 2942740 CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)SCC3=CC=CC=C3 1 5.017 1 1 -3.35525897460576 2942732 CC1=CC(=NN1C(=O)C2=CC3=C(S2)CCCC3)C 1 3.693 2 1 -10.2889967844541 2942731 CC1=CC(=CC=C1)N2C(C3=CC=CC(=C3C2=O)C(=O)O)CC=C 1 3.656 1 3 -13.1070334479618 2942730 CC1CCCN(C1)S(=O)(=O)C2=CC=C(S2)Cl 1 2.429 1 2 -7.2486018583181 2942729 CC1(CC2CC(C1)(CN2C(=O)NC3=CC4=C(C=C3)N(N=N4)C)C)C 1 3.004 5 1 -12.8192166690069 2942726 CC1CCCCC1NC(=O)CSC2=NC3=CC=CC=C3N2 1 3.666 3 1 -12.902932364658 2942724 CC1C2=CC=CC=C2C(CC3(N1C(=O)C)CCCCC3)(C)C 1 4.244 1 1 -4.66063266467805 2942704 CC1=CC(=C(C=C1)C)N2C(C(C2=O)OC3=CC=C(C=C3)OC)C4=CC(=C(C=C4)OC)OC 1 5.145 1 5 -6.67508924057283 2942698 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)NC(=O)C 1 2.442 3 5 0 -16.8110761404375 2942688 CCC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N3CC(CC3=O)C(=O)NCC=C 1 2.488 3 4 0 -19.1296511703756 2942617 COC1=CC(=C(C=C1)OC)NC2=NC=NC3=CC=CC=C32.Cl Cl- 1 2.807 3 2 5.32964038142946 2942607 C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O.Cl Cl- 1 1.708 3 4 0 -2.92407496938139 2942574 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CS2 1 1.176 1 3 0 -13.4363396322153 2942563 CC1CCCC(N1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C)C 1 3.242 4 2 -15.2632199596745 2942559 CCC1=CC(=C(C=C1)OCC2=NC(=NO2)C3=CC=CC=N3)Br 1 3.949 3 2 2.38887169892392 2942556 CC1=CC(=O)N=C(N1)N=C(N)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.087 5 2 0 -9.22761697592818 2942526 CCC1=CC=CC(=C1NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C 1 3.731 3 5 0 -22.9366536953275 2942525 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)N3CCC(C3)C4=CC=CC=C4 1 2.946 4 1 -0.928288236494492 2942513 CC1CCC2=C(N1S(=O)(=O)C3=CC=CS3)C=C(C=C2)F 1 3.424 1 2 -7.82900660907327 2942501 CC1CC2=CC=CC=C2N1C(=O)NC3=CC4=C(C=C3)OC(=N4)C 1 2.967 3 2 -6.81141823573818 2942495 CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NN=CN3C 1 2.073 6 2 0 -6.78156273781049 2942494 CC(C)(C)NC(=O)C1=CC2=C(C=C1)NC(C3C2C4CCC3C4)C5=CC=CC=C5 1 4.708 2 1 -10.9225138385573 2942489 COC1=C(C=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)S(=O)(=O)C)OC 1 2.663 3 6 0 -24.8644311190018 2942487 CCN1CCN(CC1)C2=C3C=CC(=C(C3=NC=C2C(=O)OCC)C)Cl.Cl Cl- 1 3.839 3 2 0.70041166665567 2942479 CCC(C)NC(=O)C1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)OC 1 2.891 2 4 -17.7706150506471 2942478 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC3=NSN=C32 1 1.517 3 3 0 -13.2745684750242 2942461 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(S2)Br 1 3.056 1 2 -6.86773697976117 2942444 CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)C4=CC=CO4 1 5.003 5 2 0 -27.9842869993296 2942421 C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O 1 2.433 2 4 -2.86499139361076 2942418 CS(=O)(=O)C1=NC2=C(CCCC2)C=C1C#N 1 2.143 2 2 -11.0630397706194 2942402 C1CCCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)F 1 2.594 2 2 3.7971691870733 2942383 CC1=CC=C(C=C1)SC(C)C(=O)NCC(C)C 1 3.593 1 1 -6.67997128176059 2942382 CCN1C(=O)CC(C1=O)N2CCOCC2 1 -0.525 2 3 0 -2.26694497883223 2942381 C1CC2=CC3=C(C=C2C1)NC(=O)CC3C4=CC(=CC=C4)Br 1 4.365 1 1 -4.46633344475184 2942338 C1CCC2=C(C1)C=C(C(=N2)SCC(CS(=O)(=O)CC3=CC=CC=C3)O)C#N 1 3.83 2 3 -16.0846200155999 2942337 C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O 1 2.746 2 4 -4.69252266399403 2942335 CCC1=C(C(=CC=C1)CC)NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 4.187 3 5 0 -21.72629723094 2942332 CC1=CC=C(C=C1)SC(C)C(=O)N2CCCC2 1 3.068 1 1 -5.35320868086644 2942299 CC(C)(C)C1CCC(=O)C(C1)C2(C3=CC=CC=C3NC2=O)O 1 2.34 1 3 -7.23535833167813 2942295 CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C(=O)C3CCCO3 1 3.748 3 2 -20.6660002164578 2942294 CC1(C2(CCC1(OC2=O)C(=O)OC3CCN(CC3)C)C)C 1 1.709 1 4 0 -6.69493224980029 2942288 CN1CCC(CC1)OC(=O)C2=CC(=CC=C2)Cl.Cl Cl- 1 2.46 1 2 -3.23609781619738 2942287 CC(C)(C)NCC1=CC(=C(C(=C1)Br)OCC2=CC=CS2)OC.Cl Cl- 1 4.338 1 2 -7.29950510399843 2942285 CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCC3CCCO3 1 2.769 1 5 -13.8022950658726 2942280 C1CN(CCN1CCO)C(=O)CCC2=CC=CC=C2.Cl Cl- 1 1.152 2 2 0 -4.0571644734658 2942279 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)CCC3=CC=CC=C3 1 3.755 1 2 -3.28875368328317 2942276 CC1=CC=CC=C1C(=O)NC2CCS(=O)(=O)C2 1 1.032 1 3 0 -15.2691109893234 2942270 C1CN(CCN1C2=CC=CC=N2)C(=O)NC34CC5CC(C3)CC(C5)C4 1 2.736 4 1 -2.45374243751822 2942269 C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 2.122 3 3 -14.3825510827281 2942268 CC(C1=CC=CC=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3OC 1 4.022 1 4 -13.1890941521945 2942262 CC1=CCC(C(C1)C(=O)NC2=CN=CC=C2)C(=O)O 1 1.112 2 3 0 -6.16498004402189 2942261 COC(=O)C1CCCN1C(=O)C23CC4CC(C2)CC(C4)C3 1 2.438 1 3 -4.90892411077774 2942254 C1CC(OC1)CNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br 1 2.031 2 3 -13.2816203585405 2942250 CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N3CCCC(C3)C 1 4.379 1 3 -6.95579229310262 2942249 CC(C)C(C(=O)O)NC(=O)COC1=CC=CC=C1 1 1.682 1 4 0 -14.7744292388782 2942247 C1CC2=CC=CC3=C(C=CC1=C23)N4CC(CC4=O)C(=O)NC5=CC=CC=C5 1 3.395 2 2 -1.7863319606867 2942243 CN1CCC(CC1)OC(=O)C2=CC(=CC=C2)F.Cl Cl- 1 2.001 1 2 -4.88447814705269 2942240 COC1=C(C=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5.Cl Cl- 1 5.061 1 2 -1.89751087603857 2942225 CC1=CC(=C(C=C1)OC)NC(=O)C(C)N2CCOCC2.Cl Cl- 1 1.598 2 3 0 -12.8634234096709 2942221 CC1(C2(CCC1(OC2=O)C(=O)NC3=CC=C(C=C3)OC)C)C 1 2.511 1 4 -9.58461606298152 2942218 CN1C=NN=C1SC2CCCCC2NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.138 4 2 -11.8013908798685 2942211 CC1(CC2(CCO1)C(CC(=O)O2)C(=O)NC3=CC=CC=C3Cl)C 1 1.695 1 4 0 -8.48385238402793 2942198 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CCC(=O)OC5=CC=C(C=C5)Br 1 2.522 1 4 -12.5673468904933 2942194 CC(C(=O)NC1=NCCS1)NC(=O)C2=CC=C(C=C2)Br 1 2.395 3 2 -17.4548415263201 2942184 CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2CC=C)N 1 2.078 4 2 -24.5772460013975 2942180 CN(C)S(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3 1 0.335 5 5 0 -17.1134725973403 2942179 CCOC(=O)CSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=C(C=C2)Cl)C#N 1 2.597 2 5 0 -24.2800072379707 2942176 C1CC(OC1)C(=O)NC2=CC(=C(C(=C2)Cl)O)Cl 1 2.37 1 3 -9.25219237858956 2942175 CC1CN(CC(O1)C)C(=O)C2=CC=C(O2)COC3=CC=CC=C3Br 1 3.475 1 4 -11.7985081499415 2942164 C1CN(CCN1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3 1 2.811 4 3 0 1.75546013062349 2942163 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CC3=CC=C(C=C3)F)CC4=CC=CO4 1 2.603 2 5 0 -24.3467715455712 2942160 CC1CN(CC(O1)C)C(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCCC3 1 2.593 2 4 -19.5072135452309 2942150 C1CCC(C1)NC(=S)NCC2CCCO2 1 2.418 2 1 -13.5269990288587 2942144 C1CCC(CC1)NCC2=CC=CC=C2OCC3=CC=CS3.Cl Cl- 1 4.533 1 1 -0.844757896487496 2942137 C1CSC(=N1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 2.053 3 2 -16.4934876182258 2942135 C1=CC=C2C(=C1)NC(=N2)SC3=C(C=CC(=C3)NCCN)[N+](=O)[O-] 1 2.879 5 2 0 -3.75532137986522 2942115 CC(C)(C)NCC1=C(C=CC(=C1)Cl)OCC2=CC=CC=C2F.Cl Cl- 1 4.735 1 1 -0.272255914778194 2942113 CCC(C)C1=CC(=C(C=C1)O)NC(=O)C2=NC=NN2 1 2.189 4 2 -2.59665549123072 2942104 CC1=CC=C(C=C1)S(=O)(=O)NC2C(C3=CC=CC4=C3C2=CC=C4)SC5=NNC(=N5)N 1 3.796 5 2 0 -2.42322060678453 2942103 CC(C)C(C(=O)NC1=NCCS1)NC(=O)C2=CC=CC=C2 1 2.489 3 2 -24.2274478105012 2942101 C1CC(OC1)C(=O)N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4 1 1.268 3 3 0 -17.6769253772533 2942099 C1OC2=C(O1)C=C(C=C2)C(=O)ON=C(C3=CC=C(C=C3)[N+](=O)[O-])N 1 2.049 3 6 0 -1.68152878063149 2942090 C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-] 1 2.631 5 5 0 -14.8907096203653 2942078 CCCCSC1=C(C2=CC3=C(C=C2NC1=O)OCO3)C 1 3.041 1 3 -5.1627057006402 2942060 CN1CCC(CC1)OC(=O)C2=CC=C(C=C2)Br.Cl Cl- 1 2.544 1 2 -4.55504744450791 2942055 C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3 1 3.483 5 2 0 -2.88860608098854 2942052 CC(C)(C)NCC1=C(C=CC(=C1)Br)OCC2=CC=CS2.Cl Cl- 1 4.354 1 1 -4.16187664275774 2942051 C1CS(=O)(=O)CC1NC(=O)C2=CC=C(O2)Br 1 0.509 1 4 0 -13.4960263056424 2942047 CC(C)CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC(C)C3=CC=CC=C3 1 4.248 4 3 0 -6.62972808688132 2942045 CC1=C(C(C(=C(O1)N)C#N)C2=CC=CO2)C(=O)OC(C)(C)C 1 1.73 2 4 0 -15.2536896741011 2942027 CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CCCO4)C(=O)C 1 2.51 4 3 0 -18.3383427629666 2942023 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4 1 1.823 2 4 0 -8.17683119915902 2942022 COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)F 1 4.422 1 2 -9.60093684773155 2942011 C1COC(C2=CC=CC=C21)CNC(=O)CCC(=O)O 1 0.775 1 4 0 -20.5049893595613 2942010 CC1(C2(CCC1(C(=O)C2=O)C(=O)N3CCC(CC3)CC4=CC=CC=C4)C)C 1 3.708 1 3 1.99821752329761 2942009 CN1CCC(CC1)OC(=O)C2=CC=CC=C2Cl.Cl Cl- 1 2.46 1 2 -4.00835137331889 2942001 C=CCN1C(=CC(=O)N=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)N 1 2.158 5 2 0 -16.0215124257382 2941997 CCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.379 2 4 -20.6700504179816 2941986 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=N2)C3CC4=CC=CC=C4C(=O)O3 1 2.044 4 5 0 -11.4793250072427 2941982 COC(=O)CSC1=NC2=C(C=C1C#N)C(=O)CCC2 1 1.874 2 3 0 -17.5447083054881 2941980 C1COCCN1CC(=O)NC2C3CC4CC(C3)CC2C4.Cl Cl- 1 1.324 2 2 0 -6.23727100931067 2941965 COC1=NC(=NC(=N1)NC23CC4CC(C2)CC(C4)C3)N 1 2.224 5 1 -4.22198625381713 2941950 CC1(C2(CCC1(CC2=O)C(=O)NC3=CC=CC=C3OC)C)C 1 2.564 1 3 -12.3427887038038 2941931 CC1=C(C(=CC=C1)C)OC(=O)CCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 1 2.746 1 4 -13.2742269204814 2941927 CC1=C(C=C(C=C1)NC(=O)C(C)N2CCCC2)Cl.Cl Cl- 1 3.052 2 1 -9.76828758065188 2941916 COC1=CC=C(C=C1)C2=NC(=C(O2)NCC3CCCO3)C#N 1 2.235 3 3 -3.75437929094595 2941915 CC1(C2(CCC1(CC2=O)C(=O)NCCN3CCCCC3)C)C 1 2.059 2 2 -11.920581740915 2941908 C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 3.522 3 4 0 -10.565600980568 2941904 C1CC(OC1)CNC2=C(N=C(O2)C3=CC=CS3)C#N 1 2.205 3 2 -8.44671569506802 2941899 CCCCNC(=O)NC12CC3CC(C1)CC(C3)C2 1 2.841 2 1 -11.8798276665999 2941898 CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-] 1 -5.e-003 4 6 0 -20.1949308707198 2941897 COCCNCC(=O)C12CC3CC(C1)CC(C3)C2.Cl Cl- 1 1.79 1 2 0 -1.99733226215321 2941894 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCOCC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl 1 2.901 4 6 0 -18.6694060059233 2941891 C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3CC=CCC3C(=O)O 1 2.148 2 4 -8.95589791643 2941876 CS(=O)(=O)NC1C(C2=CC=CC3=C2C1=CC=C3)N4CCOCC4 1 1.293 2 3 0 -5.66204157276749 2941867 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCN2CCCC2.Cl Cl- 1 3.038 2 1 -3.86621681628607 2941866 CCS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 1.907 3 4 0 -13.1730668398473 2941863 CC1CN(CC(O1)C)C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O 1 1.611 2 6 0 -18.9078242120366 2941861 C1CN(CCN1C2=CC=CC=C2F)C(=O)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 3.119 3 3 -4.14072545984579 2941858 C1OC2=C(O1)C=C(C=C2)C(=O)ON=C(C3=CC(=CC=C3)[N+](=O)[O-])N 1 2.049 3 6 0 -4.47737188245386 2941853 CC(C12CC3CC(C1)CC(C3)(C2)CC(=O)O)NC(=O)C 1 1.61 1 3 0 -8.25173187490151 2941851 CCCCC(=O)NC1=C(C2=C(S1)CCC2)C(=O)N 1 2.245 2 2 -15.0170371341089 2941849 CN1C(=NC2=CC=CC=C2C1=O)CC3C4=C(C=CC(=C4)Br)NC3=O 1 2.448 3 2 -8.10296395632463 2941848 COC1=CC=C(C=C1)C(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)C5=CC=C(C=C5)OC 1 5.216 0 4 -2.14541961647428 2941845 CC(C(=O)NC1=NCCS1)NC(=O)C2CCCCC2 1 2.108 3 2 -15.0206496139328 2941819 CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=O)N2C4CCS(=O)(=O)C4 1 2.693 2 3 -13.4244955958408 2941817 CC1CCC2=C(C1)C(=NC(=N2)NCCO)C(F)(F)F 1 2.512 3 1 -1.71067074194416 2941810 CC1=CC=C(C=C1)S(=O)(=O)N(C2CS(=O)(=O)C=C2)C3=CC=C(C=C3)Br 1 3.138 1 4 -2.59852103924084 2941804 COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.009 2 3 -6.76436427683584 2941798 COC1=CC=C(C=C1)C2C3=CC4=C(C=C3OC(=C2C#N)N)OCO4 1 2.613 2 4 -5.06731112986839 2941797 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC4=NCCS4)C)C 1 3.612 2 1 -13.5072734347247 2941792 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3 1 2.802 3 4 0 -27.9048516919074 2941789 C1CC2CC1C3C2C(=O)N(C3=O)CC(=O)OC4=CC5=CC=CC=C5C=C4 1 2.747 1 4 -7.31315376886393 2941784 CC(=O)OC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 1 1.773 2 6 0 -19.7103159406329 2941776 CCCCC1=CC=C(C=C1)NC(=S)NCC2CCCO2 1 4.725 2 1 -12.5854280748611 2941775 C1CS(=O)(=O)CC1N2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl 1 2.871 2 3 -10.3824206976699 2941761 CCOC1=CC=C(C=C1)NC2=NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)OC 1 3.218 3 4 0 -11.2936190176357 2941756 C1COCCN1CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC=C(O4)COC5=CC=CC=C5Br 1 4.492 4 4 0 -8.48858656653871 2941754 CC1=CC=CC(=C1)C(=O)OC2CCN(CC2)C.Cl Cl- 1 2.282 1 2 -5.53116038608406 2941748 CC1CN(CC(O1)C)C(=O)C2=CC=C(O2)COCC(F)(F)F 1 1.971 1 4 0 -13.389586805875 2941745 CN(C)C1=CC=C(C=C1)CNC23CC4CC(C2)CC(C4)C3.Cl Cl- 1 3.672 2 0 0.868751694274217 2941740 CC1C(N2C(C(C1=O)C)C34C=CC(O3)C(C4C2=O)C(=O)O)C5=CC=CO5 1 0.572 1 6 0 -2.72076323823097 2941738 CC1(C2(CCC1(OC2=O)C(=O)NC3=NC=CS3)C)C 1 1.525 2 3 0 -10.0582355994946 2941733 CC(C)C1=CC=C(C=C1)OCC(=O)N(C2CCCCC2)C3=CC=CC=N3 1 5.096 2 2 -6.63408564036827 2941730 CC1(C(CC(=O)O1)C(=O)NC2=CC=C(C=C2)OC)C 1 1.317 1 4 0 -4.51823810631106 2941724 C1C2CC3CC1CC(C2)C3NC(=O)CNCC4=CC=CC=C4.Cl Cl- 1 2.684 2 1 -2.99061319069325 2941721 CC1=C(C=CC(=C1)Br)NC(=O)C2CCCO2 1 2.517 1 2 -13.3708004332837 2941690 C1C2CC3CC1CC(C2)(C3)C(CCC(=O)O)N.Cl Cl- 1 -0.573 1 2 0 -6.56032250405139 2941688 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)NC34CC5CC(C3)CC(C5)C4 1 1.995 3 3 0 -6.25305579279937 2941681 CC1=CCC2C(C1)C(=O)N(C2=O)CCC3=CC(=C(C=C3)OC)OC 1 2.753 1 4 -9.11397450324273 2941677 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3CCCO3 1 2.165 2 4 -16.9981630087766 2941676 CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCCCCC4)[N+](=O)[O-] 1 4.046 4 3 0 -2.57997629067916 2941664 C1CC(OC1)C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C3CCCO3 1 0.366 2 6 0 -14.9481128154449 2941662 CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3CCCCC3)C)Cl 1 4.222 3 1 -10.1645400947794 2941650 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)COCC(C(F)F)(F)F 1 2.205 1 3 -15.849705826166 2941649 CC1(C2(CCC1(OC2=O)C(=O)NC3=CC=CC=C3C(=O)OC)C)C 1 2.383 1 5 -15.7557624515417 2941648 C1C2CC3CC1CC(C2)(C3)C(=O)OC4=C5C(=C(C=C4)Cl)C=CC=N5 1 5.003 1 2 1.24849097943032 2941638 C1=CC(=CC=C1NC(=O)CC2C(=O)N3C(=NC=N3)S2)Br 1 2.117 4 2 -9.77723707895665 2941637 CCOC(=O)C1CCN(CC1)C(=O)NC23CC4CC(C2)CC(C4)C3 1 2.394 2 3 -8.86239724884952 2941571 C1C2CC3CC1CC(C2)(C3)NCC4=CC=CC=C4OCC5=CC=CC=C5.Cl Cl- 1 5.077 1 1 1.60302902885732 2941574 CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCNCC5)[N+](=O)[O-] 1 4.244 5 3 0 -5.9150772272115 2941584 CC1(CCC(=O)C(O1)C2(C3=CC=CC=C3N(C2=O)C)O)C 1 0.76 1 4 0 0.373096676685428 2941615 CC(C)(C)C1=CC=C(C=C1)OCC(=O)N(C)C2CCS(=O)(=O)C2 1 1.987 1 4 0 -12.4750302301647 2941613 CCS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-] 1 2.708 4 5 0 -20.6134431924657 2941612 CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 5.92 4 0 -8.28459750206902 2941609 CC1CN(CC(O1)C)C(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 1.7 1 5 0 -16.6859597636899 2941606 CCSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)Br)C#N 1 3.142 2 1 -12.7501077186441 2941555 CC1CN(CC(O1)C)C(=O)C2=CC=C(O2)COC3=CC=C(C=C3)C(C)C 1 3.921 1 4 -11.655401076814 2941499 CC1(C2(CCC1(OC2=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C)C 1 2.698 2 3 -4.96574763219885 2941503 CC(C)(C)NCC1=C(C=CC(=C1)Cl)OCC2=CC=CS2.Cl Cl- 1 4.27 1 1 -1.80166012499487 2941507 C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Br 1 2.754 2 4 -16.0645626478172 2941510 CCN1C(=C(C=N1)Cl)C(=O)NC(C)C2=CC=CC=C2 1 2.953 3 1 -8.62179346275716 2941512 C1CCC2(C1)C(OC(=O)C3(C2=O)CCCC3)C4=CC=CC=C4 1 4.318 0 3 -3.54017912073579 2941550 CC1CC(CN(C1)C2=C(N=C(O2)C3=CC=CC=C3Cl)C#N)C 1 4.466 3 1 -3.07211542236277 2941547 C1CCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NCC3CCCO3)Cl)Cl 1 2.303 2 4 -20.1210925316858 2941543 CN(C1=CC=C(C=C1)O)C2=NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)Br 1 3.614 3 3 -5.48429376773184 2941535 CC1=CC(=O)OC2=C1C=CC(=C2)N3C(=O)CC(C3=O)CC4=CC=CC=C4 1 3.457 1 4 -4.2666878396888 2941527 CC1=CC=CC=C1C2=NN=NN2C3CCS(=O)(=O)C3 1 1.059 4 2 0 -17.8377533117445 2941486 CC1=CC=C(C=C1)S(=O)(=O)CC(C2=CC=CC=C2)N3CCCCC3 1 4.51 1 2 -12.2710392666568 2941483 C1CCN(C1)CC(=O)NC2C3CC4CC(C3)CC2C4.Cl Cl- 1 2.098 2 1 -3.48419628423051 2941482 CC(C)C(C1=NN=C(N1C)SCC(=O)NC2=NC=CS2)NC(=O)C3=CC=CC=C3 1 2.429 6 2 0 -21.472889030855 2941476 CCC(C(=O)NC1=NOC(=C1)C)SC2=NC(=O)C=C(N2C3=CC=CC(=C3)C)N 1 3.286 5 3 0 -22.0180096337039 2941468 CC1=CC(=CC(=C1)CC2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCCO4)C 1 3.699 1 4 -4.67109955018236 2941457 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C4=CC5=C(C=C4)OCO5 1 3.869 1 5 -12.9240950541843 2941456 CCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C)OC 1 5.843 3 3 -23.5290393809457 2941455 CC1=CC=C(C=C1)SCC(=O)NC2CCS(=O)(=O)C2 1 1.425 1 3 0 -14.3116927511941 2941446 C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCCCC3C(=O)O 1 2.592 2 4 -8.70143474409321 2941444 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CCC(=O)OC5=CC=CC6=C5N=CC=C6 1 1.96 2 4 0 -15.674137785078 2941443 CCOC1=NC(=NC(=N1)NCCC2=CC(=C(C=C2)OC)OC)N3CCN(CC3)C4=CC=C(C=C4)OC 1 4.204 6 4 0 2.99914649184815e-002 2941439 C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)OC4=CC5=CC=CC=C5C=C4 1 2.55 1 4 -5.35723882640713 2941437 CC1CN(CC(O1)C)C(=O)C2=CC(=CC=C2)COC3=CC=CC=C3Cl 1 3.918 1 3 -10.5802960692492 2941433 CC1CCCCN1C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC 1 3.307 2 3 -13.8504860470645 2941432 C1C(C(CS1(=O)=O)NC2=CC=CC=C2)NCC3=CC=CC=C3 1 2.299 2 2 -4.80959203804575 2941431 CNC1=C(C=CC(=C1)N2CCNCC2)[N+](=O)[O-] 1 1.116 4 2 0 -6.03374585870176 2941429 C1CC(OC1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3 1 2.723 3 2 -6.8786463511947 2941427 CCOC(=O)C1CCN(CC1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4 1 3.842 2 3 -4.13031896458853 2941419 C1CC(OC1)CNC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.174 2 3 -12.3881196924012 2941418 CC(C(=O)NC1=NCCS1)NC(=O)C2=CC=CS2 1 1.6 3 2 0 -18.4746965718763 2941414 C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CN=CC=C4 1 0.855 3 4 0 -17.3334548713103 2941406 CC1=C(C(=NC2=C1SC3=C2C(CC(=O)N3)C4=CC=C(C=C4)Cl)N)C#N 1 3.645 4 1 -5.82954527733679 2941399 CC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCCC(C)C 1 4.112 2 1 -15.0798594590227 2941389 CNC1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-] 1 2.156 3 2 -2.64903612700512 2941372 CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 3.268 3 2 -24.1543761378099 2941366 C1CCN(C1)CCNC(=O)C2=CC=CC=C2Cl.Cl Cl- 1 2.302 2 1 -7.2136231050027 2941363 CC(=O)N1C(CC(=N1)C2=CC=CC=C2OC(=O)C)C3=CC=CC=C3 1 2.519 2 3 -5.32691744802352 2941359 CC1=CCC2C(C1)C(=O)N(C2=O)C3=NC4=C(S3)C=CC(=C4)OC 1 3.066 2 3 -4.39685482711183 2941352 C1CS(=O)(=O)CC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 -0.65 2 6 0 -29.2382513734323 2941349 C1CC(OC1)CNC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)F 1 2.642 1 4 -11.9094565128871 2941345 C1CS(=O)(=O)CC1NC(=O)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 0.586 2 5 0 -15.802266810904 2941342 COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3)OC 1 2.565 3 4 0 -26.8443981059564 2941340 CCCN(CCC)C1=NC=NC2=C1C=NN2C3=CC=C(C=C3)OC 1 3.486 5 1 0.310598215922861 2941336 COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3COC4=CC=CC=C4O3 1 3.465 3 4 0 -11.2008919498488 2941334 CCC(C)C1=CC(=C(C=C1)O)NC(=O)C2=CC(=CN=C2)Br 1 3.62 2 2 -1.15462178357322 2941333 CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=C(C=C3)OC 1 2.885 3 5 0 -9.12843448954673 2941317 C1CCC(CC1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=CO3)C#N 1 2.148 3 3 -26.7806600318382 2941309 CC1=CC=CC=C1OCC(=O)NN2CCN(CC2)C.Cl Cl- 1 1.03 3 2 0 -2.99812423897881 2941298 CC(=O)C1=CC=CC=C1OC(=O)CCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 1 1.514 1 5 0 -16.6867915061164 2941295 CC1=CC=C(C=C1)S(=O)(=O)CC(C2=CC=CC=C2)N3CCOCC3 1 3.28 1 3 -12.9724099715832 2941292 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.303 4 4 0 -29.1528408171902 2941287 COC1=CC(=C(C=C1NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)OC)Cl 1 6.788 2 2 -17.6713884678333 2941283 CC1(C(OC(=O)C2(C1=O)CCCC2)C3=CC=C(C=C3)N(C)C)C 1 3.94 1 3 -6.34868162476201 2941282 CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)OC)C(=O)OCC 1 2.265 2 6 0 -30.6081535099473 2941270 CCCC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=CC=N4)OC 1 4.684 3 4 0 -6.49056602735553 2941256 COC1=CC(=C(C=C1NC(=S)NCC2CCCO2)OC)Cl 1 3.502 2 3 -16.8279822417436 2941255 CN(C)C1=CC=C(C=C1)CNC2C3CC4CC(C3)CC2C4.Cl Cl- 1 3.787 2 0 1.09021503981836 2941252 C=CCC1C2=CC=CC(=C2C(=O)N1C3=CC=C(C=C3)F)C(=O)O 1 3.376 1 3 -13.5968956815492 2941250 C1C(OC2=CC=CC=C2O1)C(=O)NC3=NN=C(S3)SCC4=CC=CC5=CC=CC=C54 1 4.436 3 3 -12.2457475557577 2941249 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N(C)C 1 3.859 1 1 4.56115500231727 2941245 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CN=CC=C3)CC4=CC=CC=C4)O 1 2.359 2 4 -13.4729138488594 2941238 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCN4CCOCC4 1 1.226 6 6 0 -21.3022599560291 2941235 CC1CCCC(N1C(=O)COC2=C(C=C(C=C2)Cl)C)C 1 3.902 1 2 -3.38565380480493 2941227 CN1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3 1 2.212 4 4 0 -8.39495549523676 2941217 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCN3CCOCC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl 1 3.434 5 5 0 -15.2278758152228 2941212 COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)OC 1 3.544 2 4 -13.817289737416 2941207 CCOC(=O)N1CCN(CC1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4 1 3.375 3 3 -3.28940507735791 2941206 CC(C)C(C(=O)NC1=NCCS1)NC(=O)C2=CC=C(C=C2)Br 1 3.238 3 2 -23.0664612975065 2941202 C1CN(CCN1C2=NC=CC=N2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 1.357 5 3 0 -4.56445071967019 2941196 C1CCN(CC1)C2(CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)N 1 1.67 4 2 0 -7.87435643000999 2941192 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC 1 2.221 3 5 0 -12.0485369269717 2941189 CC1(C2(CCC1(OC2=O)C(=O)NC3=NC=C(C=C3)Br)C)C 1 2.665 2 3 -10.7861540103016 2941186 C1CCN(C1)CCNC(=O)C2=CC(=CC=C2)Cl.Cl Cl- 1 2.302 2 1 -3.97143752125271 2941185 COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)NCC3CCCO3 1 2.42 1 5 -16.5400924571153 2941179 CC1=C(C(=O)NC2=CC3=C(C=C12)OCO3)SCCO 1 1.173 1 4 0 -4.81152394398376 2941178 CCN1C(=C(C(=NC1=S)N2CCN(CC2)C3=CC=CC=N3)C(=O)C)C 1 2.655 5 1 -3.95365131989821 2941177 COC1=CC=C(C=C1)C2=NC(=C(O2)NCC=C)C#N 1 2.493 3 2 -3.54136906687341 2941174 CCC(C)NC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2Cl 1 4.519 1 2 -12.8370378792652 2941167 COC1=CC=C(C=C1)C2C(CC(=O)N2C3CCCCC3)C(=O)O 1 2.608 1 4 -3.65444375280799 2941166 C1CC(OC1)CNC2=C(N=C(O2)C3=CC=CC=C3Cl)C#N 1 2.916 3 2 -3.49395976598785 2941158 CC1=CC=CC(=C1)C(=O)NCCN2CCCC2.Cl Cl- 1 2.124 2 1 -6.26650009113939 2941156 CN1CCC(CC1)OC(=O)C2=CC(=CC=C2)Br.Cl Cl- 1 2.544 1 2 -5.26714094581928 2941148 CC1=CC(=C(C=C1)OCC(=O)NC2CCS(=O)(=O)C2)C 1 1.353 1 4 0 -12.3698611702507 2941146 COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C(=O)C3CCCO3)OC)Cl 1 3.229 3 4 0 -27.9920738046476 2941140 C1=CC(=CC(=C1)F)C(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F 1 3.537 3 3 -8.19883208241399 2941138 CC1(C2(CCC1(OC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br)C)C 1 3.902 2 3 -4.70128075243782 2941133 CC1=CC=CC=C1NC(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4 1 4.453 4 3 0 -10.1358297268756 2941132 CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2C)SCC(=O)NC3=C(C=CC=N3)C 1 4.181 5 2 0 -12.5129476125319 2941124 CCC(=O)NC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCCCC4)N5CCOCC5 1 2.524 5 4 0 -16.2515861903926 2941117 C1CC(OC1)CNC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CO3 1 2.241 2 4 -13.0932225644207 2941112 CC1=CC(=O)OC2=C1C=CC(=C2)N3C(=O)CC(C3=O)CC4=CC(=CC=C4)OC 1 3.44 1 5 -5.09019223036136 2941106 C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CC4=CC=CC=C4 1 2.04 2 4 -17.7375581206987 2941097 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=C(NC3=CC=CC=C32)C 1 3.465 3 4 0 -4.86547492727986 2941076 CCOC1=CC=C(C=C1)C2=NC(=C(O2)NCC3CCCO3)C#N 1 2.584 3 3 -4.52060244265397 2941074 C1CC(OC1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3 1 2.734 2 3 -2.34493698570456 2941060 CC1=CC=C(N1C2=CN=C(C=C2)N3CCOCC3)C 1 1.615 3 1 0 -2.0527325034324 2941048 C1C2CC3CC1CC(C2)(C3)NC(=O)NCC4=CC=C(C=C4)S(=O)(=O)N 1 1.801 3 3 0 -13.2436566768404 2941026 CC1CCCCC1NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3 1 2.705 5 2 0 -27.2604606411388 2941016 CCN(CCO)C(=O)C12CCC(C1(C)C)(C(=O)C2)C 1 1.019 1 3 0 -9.53016593266344 2941015 CC1(C2(CCC1(OC2=O)C(=O)NCCC3=CC=CC=C3)C)C 1 2.856 1 3 -11.9038534062899 2941014 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2CCCO2)OC 1 0.88 1 6 0 -18.5696823298873 2940997 C1COCCN1CC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3Cl 1 2.875 2 3 -5.4808767014971 2940995 C1CC(OC1)CNC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F)[N+](=O)[O-] 1 3.14 4 4 0 -8.79444080738995 2940986 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=CC=C4 1 4.146 3 2 9.54162289968113e-002 2940983 C1C(=O)N(C(=O)N1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O 1 1.882 3 3 0 -0.668039762904987 2940976 CC1CN(CC(O1)C)C(=O)C2=CC=C(O2)COC3=CC4=CC=CC=C4C=C3 1 3.635 1 4 -9.39233991523779 2940955 C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5S4 1 5.137 2 2 -9.94352031140748 2940952 CC(C12CC3CC(C1)CC(C3)(C2)C(=O)O)NC(=O)C 1 1.575 1 3 0 -5.63652652485752 2940948 C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 1.576 2 4 0 -15.7767386279704 2940938 C1=CC=C(C=C1)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4 1 4.914 3 2 -3.81475498188184 2940925 CCC(C)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCOCC3 1 3.609 2 3 -7.59307049296515 2940920 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4 1 3.331 3 2 -1.75501075781521 2940918 CC1=CC=C(C=C1)C2CC(=O)NC3=C2C(=C(S3)C(=O)N)N 1 1.379 3 2 0 -7.5633146038572 2940888 CC(C)(C)NC(=S)NC(=O)C12CCC3CC(C1)CC(C3)C2 1 4.19 2 1 -9.10458917925846 2940871 COC1=CC=C(C=C1)OC(=O)CCN2C(=O)C3C4CC(C3C2=O)C=C4 1 1.626 1 5 0 -8.28610025660723 2940863 CC1C(=O)C(=C(N1C2=CC=CC=C2)N)C3=NC4=CC=CC=C4N3 1 3.074 4 1 -2.78516297551111 2940859 COC1=CC=C(C=C1)OC(=O)CN2C(=O)C3C4CCC(C4)C3C2=O 1 1.822 1 5 0 -10.242015199064 2940850 C1CN(CCN1C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5 1 0.978 4 4 0 -12.0432695172468 2940844 CC1=C(C=CC(=C1)Cl)NC(=S)N2CCN(CC2)C(=O)C3CCCO3 1 3.748 3 2 -21.951125106239 2940840 C1CC(OC1)C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O 1 1.577 1 4 0 -10.5038047066191 2940823 CS(=O)(=O)CCC(C(=O)OCC1=CC=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C2=O 1 2.613 1 6 0 -12.4711040703965 2940822 CC1=C(C(NC(=O)N1C)C2=CC(=C(C=C2)O)Cl)C(=O)OC 1 1.693 2 4 0 -13.554616574304 2940809 CCOC1=C(C=CC(=C1[N+](=O)[O-])C2C(=C(N(C(=O)N2)C)C)C(=O)OC)O 1 1.255 3 7 0 -15.9514018291243 2940776 CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)OC 1 1.676 2 5 0 -15.7767334498776 2940709 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(CCN3C(=O)C)C=C2 1 2.051 2 4 -11.9792134923892 2940704 CC(=O)N1CCC2=C1C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 2.383 2 3 -11.3288338061823 2940700 C1CC(OC1)CNC(=O)C2=CC=CC=C2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.393 2 6 0 -21.2781029489763 2940694 COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C23CC4CC(C2)CC(C4)C3 1 3.434 1 4 -7.36780155745582 2940687 CC(=O)N1CCC2=C1C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 1.999 2 3 0 -19.9520728743511 2940660 CC1=C(C(NC(=O)N1C)C2=CC(=CC(=C2OC)Cl)Cl)C(=O)OC 1 2.583 2 4 -14.6025295652182 2940650 COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)NC23CC4CC(C2)CC(C4)C3 1 3.017 2 4 -8.87101973397613 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-21.7324484703945 2939352 C1C2C=CC1C(C2C(=O)NCCOCC3=CC=CC=C3)C(=O)O 1 1.368 1 4 0 -10.5316212284899 2939350 CC1=C(C(NC(=S)N1)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3 1 3.335 4 1 -25.7072217137382 2939344 CC1=NN=C(C2=CC=CC=C12)OC3=CC=C(C=C3)OC 1 3.485 2 2 0.758414976539104 2939340 CN=C1N(C(=O)C(S1)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C 1 1.381 4 3 0 -10.3721399901536 2939328 CC1=C(C(=CC=C1)C(CC(=O)NCCC2=CC=CC=C2)C3=CC=CC=C3)O 1 4.962 1 2 -10.5030159955957 2939318 C1C(C(=O)N(C1=O)C2=CC=CC3=CC=CC=C32)SC4=CC=CC=C4C(=O)O 1 3.606 1 4 -0.211043067838484 2939316 C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC(=CC=C6)OC(=O)C7=CC=CO7 1 4.627 1 5 -8.78567733018396 2939314 COC1=CC=C(C=C1)C(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=CC=C3 1 4.251 2 5 0 -11.8118523634451 2939312 COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C3CC3(Cl)Cl 1 3.461 1 2 -4.05662298902896 2939304 C1CCC(CC1)NC(=O)C2CC(=CCC2C(=O)O)Cl 1 2.332 1 3 -7.36723234773876 2939294 CN1CCC2=C(C1=O)N(C3=CC=CC=C23)CC(CNCC4=CC=CC=C4)O.Cl Cl- 1 2.785 3 2 -0.584185391030064 2939288 CC1CCC2C(C1)C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)OC(=O)C4=CC=CO4 1 4.199 1 5 -6.02817759879331 2939282 COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.337 1 3 2.08359204706317 2939274 CC(C)C1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=CC=C4 1 3.779 3 3 -20.9760024162127 2939261 CCC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CN=CC=C2 1 4.024 3 2 -6.6649041725566 2939254 C1CC(OC1)CNC(=O)CSC2=NN=C3N2C(=CS3)C4=CC=CC=C4 1 2.785 4 2 -19.3198671548357 2939248 CC(C(=O)NC1=CC=CC=C1)SC2=CC=CC=N2 1 2.88 2 1 -9.0297829470303 2939245 CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=CS3)C(=O)OC(C)C 1 3.028 2 3 -28.6318259469616 2939241 CC1CN(CCN1C(=O)C2=CC=CO2)C3=C(C=C(C=C3)[N+](=O)[O-])F 1 2.745 3 4 0 -7.01698743125275 2939238 CC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)O)C3=CC=CC=C3 1 1.69 2 4 0 -15.718200685044 2939219 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)O)C(=O)N4CCOCC4 1 1.555 2 5 0 -33.3683953005702 2939218 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-] 1 2.793 3 6 0 -15.9231763908117 2939215 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.637 4 5 0 -5.69809299316179 2939200 CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCC3)OCC 1 3.589 3 4 0 -23.7614541367685 2939182 C1=CC=C(C=C1)CCNC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3O 1 4.475 1 2 -10.1561824793944 2939176 COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCN4CCCC4=O 1 2.633 4 4 0 -25.7304106599154 2939168 CC1=CC=C(C=C1)CC(C(=O)NCC(=O)O)NC(=O)C2=CC=CC=C2 1 2.105 2 4 -17.5990779961963 2939160 CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.7 3 6 0 -12.4384786606026 2939128 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NCC3=CC=CO3 1 1.33 5 2 0 -10.7606555301027 2939125 CN(C)CCC(=O)C1=CC(=CC=C1)Br.Cl Cl- 1 2.572 1 1 2.73677570697438 2939122 COC1=CC=CC(=C1)N2C(=O)C3CC=C(CC3C2=O)Cl 1 2.228 1 3 -1.62424223160185 2939118 CC1=CC(=NC(=N1)SC)OC2=NN=C(C=C2)OCC=C 1 3.556 4 2 -8.32056971191117 2939108 CC1=CC(=CC(=C1)OC2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O)C 1 4.349 1 4 -2.18978477367068 2939107 CC1=C(C(=CC=C1)OC(=O)CCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)C 1 2.746 1 4 -10.6925762789444 2939098 CCN(C1=CC=CC=C1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 3.683 5 0 -0.279816932485121 2939095 CC(C)OC1=CC=CC=C1C2CC(=O)NC3=CC(=C(C=C23)OC)OC 1 3.236 1 4 -12.8175361455412 2939088 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CCC2=CC=CC=C2 1 3.972 2 3 -8.88216585321661 2939087 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)OC4=CC=C(C=C4)OC 1 5.636 2 2 2.37270420713494 2939085 C1CCC(CC1)NCC2=CC=C(C=C2)O.Cl Cl- 1 2.984 1 1 4.67947568599317 2939073 CCC1=CC(=C(S1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)OCC 1 3.943 2 4 -14.4415324033148 2939067 CC1(CC(CC(N1)(C)C)N(C)S(=O)(=O)CC23CCC(C2(C)C)CC3=O)C.Cl Cl- 1 1.453 2 3 0 -0.68581119535426 2939045 CC1=CC(=CC=C1)NC2=C(C=CC3=NON=C32)[N+](=O)[O-] 1 3.33 4 3 0 2.55161947428537 2939042 CC1=C(C=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C)C(=O)C)[N+](=O)[O-] 1 2.456 2 7 0 -9.59625949883105 2939031 CC1(CC(C(=O)O1)CCC(=O)NC(=S)NC2=CC=CC=C2Cl)C 1 3.926 2 3 -13.3935715681684 2939030 CC1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C 1 3.516 2 3 -9.2887141834367 2939018 CC(=O)C1=CC(=CC=C1)NC(=O)C2C3C=CC(C2C(=O)O)C3=C(C4=CC=CC=C4)C5=CC=CC=C5 1 4.201 1 4 -2.9811315098884 2939015 C=CCNC1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-] 1 2.773 3 2 -4.94540051399594 2938997 CC1=C(C=CC(=C1)Cl)OCC(=O)NCCOC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.794 6 5 0 -6.30078253770537 2938996 CC1=C(C(NC(=O)N1)C2=C(C(=CC=C2)[N+](=O)[O-])O)C(=O)C 1 0.592 3 5 0 -24.6854959994777 2938987 CC1=C(C(=C(C=C1)S(=O)(=O)NC2=CC=NC=C2)C)N(C)S(=O)(=O)C3=CC=C(C=C3)F 1 3.038 3 4 0 -3.98098879880503 2938953 CC1=CC(=CC(=C1)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C)C 1 3.393 4 4 0 -17.5934030986617 2938943 CC1(CC(CC(N1O)(C)C)NC(=O)C2=CC=NC=C2)C.Cl Cl- 1 0.568 3 2 0 -6.40018947107062 2938930 COC1=C(C=C(C=C1)C2C=C(NC(=S)N2)C3=CC=C(C=C3)F)OC 1 3.944 2 2 -7.74500531455404 2938926 CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)C(=O)OC)C(=O)OC 1 2.31 2 5 0 -27.4280428613794 2938921 COC1=CC2=C(C=C1)C3=C(C2)SC(=N3)NC(=O)C4=CC=CO4 1 2.952 2 3 0.733551753445663 2938887 COC1=CC=CC=C1OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)NCC4CCCO4 1 2.713 2 5 0 -27.3955339895174 2938885 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 2.66 1 4 -7.01125698470474 2938879 CCCCOC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)C)OCC 1 2.584 2 4 -32.7360054766633 2938852 CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC=CO4 1 3.09 1 5 -6.67795768456332 2938849 CC1=C(C(=CC=C1)OC(C)C(=O)NC2CCS(=O)(=O)C2)C 1 1.837 1 4 0 -14.7183393080409 2938841 C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(CN(CCO)S(=O)(=O)C4=CC=C(C=C4)F)O 1 3.45 2 4 -0.619400633757302 2938824 COC1=C(C2=C(C=C1)C(OC2=O)CC(=O)C3=CC4=C(C=C3)OCO4)OC 1 2.706 0 7 0 -14.3133245038743 2938822 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CCC(=O)OC5=CC=CC=C5 1 1.774 1 4 0 -13.4209198479475 2938810 CC1=CC=CC=C1NC(=O)C2=C(N=C3N(C2C4=CC=C(O4)C)C(=O)C(=CC5=CC=CC=C5)S3)C 1 4.953 3 3 -28.8653953806356 2938804 COC1=CC=CC=C1NC2=C(C3=NON=C3C(=C2)N4CCOCC4)[N+](=O)[O-] 1 2.677 5 5 0 3.32918042541552 2938780 CCCC(CCC(=O)NC1CCCCC1)C(=O)O 1 2.908 1 3 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CCN1CCCC1CNC(=O)C(=O)NC2=CC(=CC=C2)OC 1 1.265 3 3 0 -15.5071604325042 2956052 C1CC(OC1)CNC(=S)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.387 3 1 -11.0463729627583 2956050 CC1CCCCC1NC(=O)CSC2=NN=C(S2)C 1 2.343 3 1 -23.1300407419664 2956028 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NC2=C(C=C(C=C2)F)F 1 3.314 3 3 -6.88995644120917 2956027 C1COC2=C(O1)C=CC(=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4 1 2.875 2 3 -8.89017098017267 2956016 CCCN1C2=C(C(C3=C1C4=CC=CC=C4C3=O)C5=CC=C(C=C5)F)C(=O)CC(C2)(C)C 1 5.135 1 2 -15.3569790118983 2955994 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NC2=NC3=C(S2)CCCC3 1 2.788 4 4 0 -12.6627222467942 2955990 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NCC4=CC=CC=N4)C)C 1 3.195 2 1 -11.1502958260708 2955989 COCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3 1 2.333 5 2 0 -15.4276562131656 2955981 CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=C(S2)Cl)C(=O)N(C)C 1 3.52 4 4 0 -16.1235661480738 2955968 C1=CC=C(C=C1)NC(=O)CC2C(=O)N3C(=NC=N3)S2 1 1.369 4 2 0 -10.2992301628154 2955964 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CC=C(C=C4)S(=O)(=O)NCC5=CC=CC=C5 1 3.538 3 5 0 -8.4350428842244 2955960 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3C(F)(F)F 1 3.54 3 2 -22.7834248981561 2955956 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4CCCO4 1 1.486 3 4 0 -23.1242944404042 2955954 CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NCCN2)Cl 1 0.833 3 2 0 -16.8367003936476 2955952 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)OC 1 2.026 2 7 0 -16.7845733050904 2955951 CCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)OC 1 3.066 2 5 0 -19.5599746733462 2955949 CC1=C(C(=CC=C1)OCC(CN2C(CC(CC2(C)C)O)(C)C)O)C 1 3.011 1 3 -1.52579465945254 2955946 COC(C1=CC=CC=C1)C(=O)NC2=C(C=CC=C2F)F 1 2.816 1 2 -18.0395767847522 2955943 CC(C1=CC(=C(C=C1)OC)OC)NC(=S)NC2=CC(=CC=C2)OC 1 4.424 2 3 -10.5355419222083 2955941 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)CN5C6=CC=CC=C6N(C5=O)C 1 3.642 6 2 0 -10.4582700765371 2955935 CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl 1 2.706 5 4 0 -7.50836545955695 2955903 CC1CC2=CC=CC=C2N1C(=S)NC3=CC=CC(=C3)C(=O)C 1 4.912 2 1 -12.8506647861483 2955892 CC(=O)C1=CC(=CC=C1)NC(=O)NN2CCN(CC2)C 1 0.357 4 2 0 -3.37162604646577 2955890 COC(=O)C1=CC=CC=C1NC(=O)NC2=NC=C(C=C2)Br.Cl Cl- 1 2.515 3 3 -13.0593233167257 2955887 CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C 1 1.663 3 5 0 -17.1848740525314 2955883 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=C(C=C(C=C3)F)F 1 4.983 4 2 -6.98503370687157 2955880 C1CN(CCN1C2=CC=CC=N2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4 1 2.757 4 3 0 -9.00738892953529 2955868 CC1CN(CC(O1)C)C(=O)NC2=CC(=C(C=C2)OC)OC 1 1.562 2 4 0 -14.4509347643012 2955858 CN1CCN(CC1)C(CC(=O)NC2=CC(=CC=C2)O)C(=O)O 1 -2.498 3 4 0 -6.70347081748581 2955856 C1CCC(CC1)N2C(=O)C3=CC=CC=C3C2(CC4=CC=CC=C4)O 1 4.14 1 2 0.399004347270374 2955851 CC(C1=CC2=C(C=C1)OCO2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.946 3 4 0 -13.7901039786668 2955848 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC4=C(C=C3)OCO4 1 0.304 5 5 0 -22.7057214973642 2955845 COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3)OC 1 4.033 4 2 -12.7915756843974 2955836 CC(C(=O)NCCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br 1 2.938 2 3 -14.8221766208434 2955831 CC(C1=CC(=CC=C1)OC)NC(=O)NC2=C(C=CC(=C2)Cl)OC 1 3.538 2 3 -8.51818210409499 2955817 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CO5 1 1.06 3 6 0 -0.204443698307155 2955814 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=S)NCC3=CC=CO3 1 2.082 3 4 0 -25.0692073969236 2955811 COC1=CC(=C(C=C1)NC(=O)NC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] 1 2.368 3 6 0 -11.1377659165602 2955802 COC1=C(C=C2C(=C1)C(CC(=O)N2)C3=C(C(=CC=C3)Cl)Cl)OC 1 3.855 1 3 -8.78608273648692 2955798 CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.539 4 3 0 -11.438918507947 2955797 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.293 3 4 0 -9.27305443109281 2955788 COC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3)OC 1 1.147 3 5 0 -15.7526326020446 2955786 CN1C(=O)C2C(NN(C2C1=O)CC3=CC=CC=C3)C4=CC=C(C=C4)N(C)C 1 1.633 4 2 0 -0.676764558462706 2955782 CC1=CC=C(C=C1)S(=O)(=O)CC2CSC3=NC4=CC=CC=C4N23 1 4.143 2 2 -7.7794313756482 2955777 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NCCOC 1 0.536 2 5 0 -21.8664296046989 2955775 CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)OCC)C)OC1=O)C 1 4.011 0 7 0 -18.9775539726846 2955774 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC 1 2.22 2 4 -29.7106146963781 2955763 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 1.735 3 3 0 -19.0798340341432 2955758 CC1CCCCN1C(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 2.552 1 4 -13.2931139799024 2955756 CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.827 3 3 -11.4043009851205 2955751 CC1=CC2=C(C=C1C)N=C3C(=N2)C4(CCC3(C4(C)C)C(=O)NC)C 1 3.904 3 1 -5.20444459458373 2955745 CC(C)CNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC)Cl 1 3.512 2 6 0 -20.3536380417625 2955739 CCN1CCCC1CNC(=O)C(=O)NC(C)C2=CC=CC=C2 1 1.665 3 2 0 -17.8374864830077 2955737 CC1=CC(=NC(=N1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C 1 1.505 4 3 0 -15.2153154634598 2955716 CC(C1=CC2=C(C=C1)OCO2)NC(=O)NC34CC5CC(C3)CC(C5)C4 1 3.241 2 3 -9.30957587575397 2955715 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 4.849 6 2 0 -8.25273620830571 2955709 CC1=C(C(=CC=C1)OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O)C 1 3.96 3 4 0 -4.51959391427113 2955703 CCC1=NN=C(S1)NC(=O)CC(C)C2=CC=CC=C2 1 2.759 3 1 -13.4059712281907 2955698 COC1=C(C=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)C)OC 1 1.128 3 7 0 -28.1257299653663 2955689 CNC(=S)NNS(=O)(=O)C1=C(C=C(C=C1)OC)OC 1 1.089 3 4 0 -11.2621807546173 2955688 C1CCC2C(C1)NC(C(=O)N2)CC(=O)NC3=CC4=C(C=C3)OCO4 1 0.881 3 4 0 -12.741696939037 2955683 CC(C1=CC(=C(C=C1)OC)OC)NC(=O)NC2=CC=C(C=C2)C(=O)C 1 2.614 2 4 -14.0449772228442 2936947 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=NC4=CC=CC=C4S3 1 3.469 3 3 -8.31738853245192 2936938 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC(=C5)C(=O)NC6=CC=C(C=C6)F 1 2.809 2 3 -9.37324251712593 2936934 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=NC=C3)C4=CC=C(C=C4)Cl 1 4.673 4 3 0 -11.4167824000983 2936930 CCN(CC)C1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)C4=CC=CC=C4Cl 1 5.299 4 1 -10.0267246038698 2936924 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 4.585 3 4 0 -3.86645179391728 2936905 COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 4.578 4 3 0 -11.6126039113972 2936898 CCN1C2=C(C=C(C=C2)NC(=O)C(=O)NCC3CCCO3)C4=CC=CC=C41 1 2.711 3 3 -12.1233264736885 2936883 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4 1 2.634 4 3 0 8.11062672357784 2936857 CCC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 2.279 3 5 0 -9.8817909533767 2936846 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCOCC4)[N+](=O)[O-] 1 2.058 4 6 0 -21.6786164846565 2936838 CC1=CC=C(C=C1)NC2=NC(=O)C(S2)CC(=O)O 1 2.233 2 3 -10.6858363592964 2936837 CCOCCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C(=C2)Cl)O)OCC)C)C 1 2.243 2 6 0 -21.6020259605338 2936824 CN=C1N(C(=O)C=C(S1)C(=O)NC2=CC(=CC=C2)Cl)C.Br Br- 1 2.339 3 2 -3.19414907170922 2936817 CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCC3=CC(=C(C=C3)OC)OC)CC(=O)NC 1 3.771 3 6 0 -23.4669646791307 2936812 CCN1C(=O)C(N(C1=S)CC2=CC=CO2)CC(=O)NC3=CC=C(C=C3)F 1 3.014 3 3 -12.6309818037039 2936808 CNC(=O)C1CC(=O)N(C(=NC2=CC=C(C=C2)OC)S1)CC3=CC(=C(C=C3)OC)OC 1 3.066 3 5 0 -10.0492033771383 2936804 CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)CCO)[N+](=O)[O-] 1 4.727 5 4 0 1.94947613897917 2936796 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-] 1 0.576 5 5 0 -15.0772166324989 2936792 CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCC3=CC(=C(C=C3)OC)OC)CC(=O)N 1 3.565 3 6 0 -18.12136697206 2936788 CCCCOC(=O)C1CC2=CC=CC=C2C(=O)O1 1 2.931 0 4 -6.93065500752613 2936783 C1CNC(=NC1)SCC2=CC=CC=C2.Cl Cl- 1 2.3 2 0 -11.0639753268896 2936778 CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(C4=CC=CC=C4)C(=O)O 1 5.951 0 5 -15.9119132196815 2936750 COC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O 1 6.094 2 2 -11.4951788787092 2936743 CC1=C(CC2C(C1)C(=O)N(C2=O)C3=C(C=C(C=C3)OC)OC)C 1 2.871 1 4 -2.05122688016513 2936736 C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC=C5 1 3.266 1 5 -12.1430494965763 2936726 CC(C)C(C(=O)NC1=NCCS1)NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.89 3 2 -20.8536660938806 2936725 CC(C)(C)C(=O)NCCCNC1=CC=C(C=C1)[N+](=O)[O-] 1 2.334 3 3 -13.4538940318754 2936716 COC1=CC(=C(C=C1NC(=O)C2CCCO2)Cl)OC 1 1.914 1 4 0 -14.9344767131964 2936712 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4)N5CCNCC5)[N+](=O)[O-] 1 3.368 4 3 0 -13.2211892642017 2936706 CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 4.334 4 3 0 -15.3761089954048 2936705 CC1CCCC2=C1C3=C(S2)N=CN(C3=N)N 1 1.734 4 0 0 -10.5312219489223 2936700 CCCCN1C2=C(C(C3=C1C4=CC=CC=C4C3=O)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)CCC2 1 4.822 2 4 -16.8499465636297 2936694 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC=CS3 1 1.751 3 2 0 -10.5367220519133 2936669 CCC(C)C1=CC=C(C=C1)NC(=O)CC(=O)C 1 2.511 1 2 -5.0833072496902 2936653 CCOC1=CC=CC(=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4 1 2.983 4 3 0 7.60058492833809 2936650 CC1=CC(=CC=C1)NC(=O)C2CC(=O)N3C=NN=C3S2 1 1.459 4 2 0 -4.03612233940915 2936647 COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)(C4=CC=C(C=C4)Br)O 1 2.492 2 5 0 4.39566984618289 2936645 C1CNC(=NC1)SCC2=CC=CC=C2Cl.Cl Cl- 1 2.964 2 0 -11.8971400966858 2936640 CCN1C(=O)C(SC1=NC2=CC=C(C=C2)S(=O)(=O)N)CC(=O)NC3=C(C=CC(=C3)C)C 1 3.134 4 4 0 -14.2920331099942 2936635 CC1C=CCC2C1C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)O 1 2.685 1 3 3.20091908852237 2936631 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6 1 2.459 2 5 0 -12.9034751292225 2936629 CC1CN(CC(O1)C)C2=NC(=O)/C(=C(\C)/C3=CC=CC=C3)/S2 1 3.297 2 2 -9.98393295395012 2936623 CC1CC(CN(C1)C(=O)CSCC(=O)O)C 1 1.098 1 3 0 -13.9177087959928 2936614 COC(=O)CN1C(C(=O)N(C1=S)C2=CC=C(C=C2)F)CC(=O)NC3=CC=CC=C3 1 3.184 3 4 0 -16.6825934080969 2936612 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC=CS3 1 2.659 2 3 -6.42636435442226 2936609 CCCCN1C2=C(C(C3=C1C4=CC=CC=C4C3=O)C5=CC(=C(C=C5)Cl)Cl)C(=O)CCC2 1 6.256 1 2 -14.7381740932308 2936597 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)N3CCOCC3 1 1.161 2 4 0 -13.6486218556379 2936589 CCN1C(=O)C(N(C1=S)CCC2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)OC 1 4.137 3 3 -10.9370665973609 2936587 CN=C1N(C(=O)C(S1)CC(=O)NC2=C(C=CC(=C2)Cl)Cl)C 1 2.86 3 2 -7.37908231429781 2936537 CC1=CC=CC2=C1N=C(OC2=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5CCCO5 1 3.018 2 5 0 -13.5027192073712 2936542 CCCC1=NC2=CC=CC=C2N1CCOC 1 2.804 2 1 -5.24122747516287 2936544 CN1C(=NN=C1SCC(=O)NCC2CCCO2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4F 1 2.817 5 3 0 -22.8666648290287 2936582 CN1C(=O)C(N(C1=S)CC2=CC=CO2)CC(=O)NC3=CC=C(C=C3)OC 1 2.444 3 4 0 -13.6612807447047 2936580 CCOC(=O)C1=CN=C(N=C1N)SC2CC(=O)N(C2=O)C3=CC=CC=C3 1 1.806 4 4 0 -3.59615555315518 2936577 CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)CN4CCN(CC4)C 1 1.962 5 4 0 -16.9551698898272 2936573 CC(C)C(C(=O)NC1=NCCS1)NC(=O)C2=CC=C(C=C2)Cl 1 3.154 3 2 -21.6098015524051 2936558 CC1=CC(=CC(=C1)N2C(=O)CC(C2=O)SC3=NN=NN3C4=CC=CC=C4)C 1 3.468 5 2 0 -9.05849884544214 2936533 CCNC(=S)N1CCN(CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.089 4 2 -11.9340669140066 2936521 COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)N3C(=O)C4CC=CCC4C3=O 1 3.444 2 4 -7.76935477053429 2936520 CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)CN5CCCCC5C)O 1 4.721 1 5 -3.85421202393198 2936519 CC(C1=CC=CC=C1)N2C3=CC=CC=C3N=C2S(=O)(=O)O 1 3.386 2 3 -6.64494049723323 2936499 CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-] 1 2.359 4 5 0 -16.9624765277369 2936483 CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CS3)CC 1 4.223 3 3 -14.5551406875945 2936474 COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)O)CC3=CC(=C(C=C3)OC)OC 1 3.487 2 6 0 -8.41565811279487 2936472 C1COCCN1C(=O)CN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46 1 1.176 2 4 0 -15.4059519058064 2936464 CCC(C)N1C2=CC=CC=C2N=C1S(=O)(=O)O 1 2.675 2 3 -6.43801264135025 2936414 CC1(NC(=S)N(N1)C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3 1 3.233 4 1 -0.407745477828804 2936409 CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6 1 3.09 2 3 -6.84113429098988 2936405 C1CN=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-].Br Br- 1 2.132 3 2 -10.6505746876336 2936404 COC(=O)C1=CN(C=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OC)CC3CCCO3 1 2.681 1 5 -14.5434004317431 2936400 CC1=CC(=O)N(C1C2=CC=C(C=C2)Cl)C3=CC=CC(=C3)C(F)(F)F 1 5.188 1 1 3.60840354491083 2936398 COC1=CC=CC(=C1)N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Cl 1 3.293 3 3 9.39053524906759 2936391 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)F)C4=NC5=CC=CC=C5S4 1 2.856 4 2 9.23546995818723 2936390 CCC1(NC(=S)N(N1)C2=CC(=C(C=C2)C)C)C3=CC=CC=C3 1 5.557 3 0 2.04495041579218 2936384 CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O 1 6.443 2 2 -12.2614020304172 2936379 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCCCC3 1 2.105 3 5 0 -20.4176039597059 2936375 CC(C)(C)C(=O)NC1=CC(=CC=C1)OC(C(F)Cl)(F)F 1 4.274 1 2 -8.57171742042497 2936374 CC1CN(CC(O1)C)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC 1 1.174 3 6 0 -24.4150709718138 2936373 CCOC(=O)C1=C(SC2=C1CC(OC2)C(C)C)NC(=S)NCC=C 1 4.297 2 3 -21.9466642705437 2936352 CCN1C(=O)C(N(C1=S)CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=C(C=C4)F 1 3.601 3 4 0 -13.3616039564494 2936351 COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)Cl)C(=O)OC)CC3=CC=CS3 1 3.368 1 4 -10.4601777830055 2936350 CCC1=NC2=CC=CC=C2N1CC3CC3(Cl)Cl 1 3.503 2 0 0.565531903642378 2936337 COCCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC 1 3.329 2 2 -1.51581209919951 2936332 C1=CC(=CC=C1NC2=NC(=O)C(S2)CC(=O)O)O 1 1.505 2 4 0 -9.08270279421625 2936328 CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NCCC3=CC=CC=C3)C 1 3.64 3 4 0 -12.8763448242762 2936327 CN1C(=O)CC(C1=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 1.052 3 3 0 3.91331375415909 2936326 CNC(=O)CC1C(=O)N(C(=S)N1CCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)Cl 1 4.231 3 4 0 -17.2936020286218 2936322 COC(=O)C1=C(SC2=C(C1C3=C(C=CC(=C3)Cl)O)SC(=O)N2)C(=O)OC 1 2.934 1 6 0 -3.53649862608593 2936303 CN1C(=O)C(N(C1=S)CC2=CC=NC=C2)CC(=O)NC3=CC=C(C=C3)OC 1 2.111 4 3 0 -13.0955300021213 2936288 C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4CCCO4 1 2.287 2 4 -21.56448618711 2936285 CC1=CC(=NC(=N1)SC2CC(=O)N(C2=O)C3=CC(=C(C=C3)OC)OC)C 1 2.342 3 4 0 -4.88002234103678 2936271 CC1=C(C=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NCCC3=CC=CC=C3)C)C 1 4.408 3 2 -8.04746264013169 2936270 C1CCN(CC1)C2(CCN(CC2)C3CC(=O)NC3=O)C(=O)N 1 -0.815 4 3 0 -7.24532717466552 2936268 CCN1C(=O)C(N(C1=S)CC2=CC=CS2)CC(=O)NC3=CC=C(C=C3)OC 1 3.351 3 3 -14.4622056231068 2936259 CC(C)C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2Br 1 4.59 1 1 -6.25954836433835 2936247 C1CC(OC1)CNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-] 1 3.302 4 5 0 -16.4444311420231 2936239 C1=CC=C(C=C1)CNC(=O)CC2C(=O)N(C(=NC3=CC=CC=C3)S2)CCCCO 1 3.218 3 3 -14.1073144620559 2936238 CC(C)C(C(=O)NC1=NCCS1)NC(=O)C23CC4CC(C2)CC(C4)C3 1 3.38 3 2 -20.2772609507329 2936236 CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C 1 3.751 2 2 -12.341166122194 2936223 CCCC12CN3CC(C1=O)(CN(C2)C3C(C(C(CO)O)O)O)CCC 1 0.469 2 5 0 -4.90277960132374 2936217 C1CN=C(N1)SCC2=CC=CC=C2Cl.Cl Cl- 1 2.902 2 0 -9.79270651193842 2936206 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCNCC5)[N+](=O)[O-])C 1 4.731 5 3 0 -4.46122766994762 2936205 CCCCOC1=CC=CC=C1NC(=O)CC2C(=O)N(C(=NCC)S2)CC 1 3.541 3 3 -14.3283875130037 2936192 CC1=C(C(=O)NN1)C(C2=C(C=CC(=C2)OC)OC)C3=C(NNC3=O)C 1 -0.224 4 4 0 -8.06530553263736 2936186 CC1(CC2=C(C(C3=C(N2)N(C(=O)NC3=O)CC4=CC=CC=C4)C5=CC=C(C=C5)OC)C(=O)C1)C 1 3.387 3 4 0 -18.4622400230853 2936153 C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)COC4=CC=CC=C4 1 1.841 2 5 0 -17.1758676296569 2936145 CC(C)C(C(=O)NC1CCCCC1)NC(=O)C2=CC=CS2 1 3.236 2 2 -20.3055622897538 2955678 CC(C)OC1=CC=CC=C1C2CC(=O)NC3=CC4=C(C=C23)OCCO4 1 3.055 1 4 -12.0795093227393 2955672 C1CNC(=O)C(N1)CC(=O)NC2=CC=CC=C2 1 -0.318 3 2 0 -17.4252103859297 2955671 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=CC=C2 1 0.566 3 5 0 -17.6290680633361 2955664 CC(C)OC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.446 3 4 0 -7.4421017886285 2955663 CC1=CC(=C(C=C1)C(=O)C(C)C2C(C(=O)OC2(C)C)C(=O)OC)C 1 3.397 0 5 -2.66829981301449 2955658 CCN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=C(OC=C3C)C)O 1 1.924 1 4 0 -7.01304758061511 2955655 CCOC(=O)C1=CN=C(N=C1CN2CCN(CC2)C3=CC=CC=C3)NC4=NC5=CC=CC=C5O4 1 3.674 6 3 0 1.73677733969113 2955651 COC(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 1.507 2 4 0 -28.1169595780222 2955627 CCOC1=CC=C(C=C1)C(C)NC(=O)NC2=C(C=C(C=C2)F)F 1 3.65 2 2 -7.89967647659091 2955621 CC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 3.596 2 3 -11.8982436683856 2955619 CC1=CC(=C(C=C1)NC(=S)NCC2CCCO2)OC(F)F 1 4.162 2 2 -11.5457788271831 2955618 CC1=CC(=C(O1)C)C(=O)NC(CCC(=O)OC)C(=O)OC 1 0.551 1 6 0 -21.2199719814099 2955612 CC1=CC=C(O1)CCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)Cl 1 4.896 4 2 -11.3203315641793 2955610 CCCCNC(=O)CC1C(=O)NCCN1 1 -0.566 3 2 0 -26.1486730886695 2955604 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC(C)C2CCCO2 1 1.886 2 4 0 -15.9283835355249 2955594 CCN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=C(C=C3)N4C=CC=C4)O 1 3.065 2 3 -7.24524100983967 2955590 C1C(N2C3=CC=CC=C3N=C2S1)CS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.551 3 4 0 -9.87382916300544 2955586 CC(C)CNC(=S)NNC(=O)CC(C)O 1 0.901 3 2 0 -10.597942226747 2955585 CC1CC2=CC=CC=C2N1C(=O)NC3=CC(=C(C=C3)OC)OC 1 3.148 2 3 -11.8988244932996 2955584 COC1=C(C=C(C=C1)CN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CC5=C(C=C4)OCO5)O)OC 1 3.159 1 7 0 -13.2684949674392 2955575 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NCC2CCCO2 1 2.131 3 3 -18.4087281549865 2955551 CCN1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=C3 1 3.6 3 2 -12.4659558274861 2955548 CCCC(C)NC(=O)CSCC1=CC=C(C=C1)OC 1 3.128 1 2 -16.6950701690015 2955547 COCC(=O)NC1=C(C2=C(S1)CCC2C(=O)OC)C(=O)OC 1 0.666 1 6 0 -15.9925940178879 2955545 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 2.156 4 7 0 -26.5659118167634 2955543 CC1=CC(=C(C=C1)CNC(=O)C2CC(=O)OC23CCCC3)C 1 2.988 1 3 -8.41291631218797 2955535 CS(=O)(=O)N1CCC(CC1)C(=O)NNC(=O)NC2=CC(=C(C=C2)F)Cl 1 0.662 4 4 0 -12.6123905694797 2955533 CCC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)C2CCCO2)C 1 3.978 2 3 -20.5428825197818 2955531 CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCC2CCCO2 1 1.015 2 5 0 -19.8611651127094 2955522 COCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC(=N2)OC)OC 1 2.719 5 5 0 -26.5373134205279 2955517 CCN1C=C(C(=N1)C)C(C)NC(=O)NC2=CC3=C(C=C2)OCO3 1 1.956 4 3 0 -13.9887204682993 2955512 COC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC=C2Cl 1 2.681 3 3 -27.3108634353047 2955511 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CC=C(C=C4)S(=O)(=O)NCCC5=CC=CC=C5 1 3.859 3 5 0 -10.1873885676616 2955503 CC(C1CCCO1)NC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.248 2 2 -13.3606498982189 2955483 C1CCN(C1)CC(CS(=O)(=O)C2=CC3=CC=CC=C3C=C2)N4CCCC4 1 3.492 2 2 -5.35233568804379 2955482 COC1=CC=CC=C1OCCCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br 1 3.645 2 5 0 -13.3176641703583 2955479 CC1CC2=CC=CC=C2N1C(=O)NC3=CC=CC=C3C(=O)OC 1 3.036 2 3 -13.6188314522372 2955474 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCCC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)F 1 3.543 3 4 0 -19.1127692686914 2955469 CC(C1=CC=CC=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 2.354 3 2 -10.7950987231249 2955468 CC1=CC(=C(C=C1)CC23CN4CCN(C2)CC(C4)C3O)C 1 2.284 2 1 2.09293262841734 2955459 CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 2.963 3 3 -13.5398913795418 2955440 CC(C(=O)NC1CCCCCC1)NS(=O)(=O)C2=CC=C(C=C2)Br 1 3.348 2 3 -14.9155176347659 2955438 CC(C1=CC(=C(C=C1)OC)OC)NC(=S)NC2CCCC2 1 3.988 2 2 -11.5829727643486 2955435 CC(C)(C)C(=O)CC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)O 1 3.296 1 3 -8.94605599267074 2955434 CN(C)C1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2 1 -0.156 4 2 0 -19.929842626169 2955428 CC1(CC1(Cl)Cl)C(=O)NNC(=S)NCC2CCCO2 1 1.526 3 2 0 -13.3110863222915 2955413 C1=CC=C(C(=C1)CNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])F 1 2.629 3 3 -8.02442295737681 2955407 C=CCNC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 2.375 3 3 -14.8541936624798 2955405 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3)C 1 4.439 3 3 -25.1232314016508 2955401 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 1.51 5 4 0 -16.9343092900294 2955394 COC(=O)C1=CC(=C(C=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.623 1 6 0 -11.3531240619975 2955392 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.386 2 6 0 -21.7240602848855 2955389 CN(C1=CC=CC=C1C(=O)NCC2CCCO2)S(=O)(=O)C 1 0.513 2 4 0 -18.2315619515291 2955385 COC1=CC=CC=C1NC(=O)CC2C(=O)NCCN2C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 2.362 4 4 0 -27.0646379740939 2955383 CC1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)COC3=CC=CC=C3C 1 3.338 2 3 -2.69496702849164 2955378 C1CCC2C(C1)NC(C(=O)N2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.055 3 2 -5.41931478415036 2955376 CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=CC(=C2)C(=O)O 1 2.622 2 4 -7.74501911784433 2955371 C1CC(OC1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3 1 2.703 2 4 -21.6468942594141 2955360 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CO3 1 1.407 2 4 0 -15.1498473543655 2955358 CC1=CC(=CC(=C1)NC(=S)N2CCNC(=O)C2CC(=O)OC)C 1 2.989 3 3 -29.3362311743379 2955356 CC(C(=O)NC1=CC=C(C=C1)OC)N2C(=O)C3CC=C(CC3C2=O)Cl 1 1.772 2 4 0 -12.7834285249753 2955352 C1CCCN(CC1)C(=N)C2=CC(=CC=C2)[N+](=O)[O-].Cl Cl- 1 2.566 3 2 -6.40363512426837 2955346 CC(C(=O)N1CCOCC1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 0.843 2 4 0 -14.2152529538315 2955344 C1C(=C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)Cl 1 0.888 2 5 0 -11.1329783914726 2955340 CC1=C(C=CC=C1NC(=O)C2COC3=CC=CC=C3O2)C(=O)OC 1 2.729 1 5 -5.31402982858916 2955338 COCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.693 3 4 0 -28.8460409780018 2955331 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC(=C2)C(=O)O 1 3.874 3 5 0 -12.4977325141842 2955321 CC(C)CC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)NC(=O)C(=O)N2 1 0.159 3 6 0 -25.7979916025953 2955307 COC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CC(=C(C=C3Br)OC)OC)OC 1 3.242 1 5 -9.93857781099235 2955298 CCOC1=CC=C(C=C1)C(C)NC(=O)NC2=CC=CC=C2C(=O)OC 1 3.095 2 4 -15.2460593796533 2955289 CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)CN3CCOCC3 1 3.861 2 3 -5.0107943321174 2955285 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3CCCO3 1 1.607 2 4 0 -22.5328772350382 2955277 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC 1 2.067 2 8 0 -22.8993439559436 2955269 COC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC(=C2)C(F)(F)F 1 2.959 3 3 -24.5062206688651 2955257 CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)NC3=CC=C(C=C3)C(=O)C 1 3.385 3 2 -13.0975813042985 2955245 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)CN(C3=CC=CC=C3F)S(=O)(=O)C4=CC=CC=C4 1 2.467 3 5 0 -24.9209535135742 2955240 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)OC 1 2.65 1 5 -14.594054527664 2955233 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CO4 1 2.524 3 4 0 -13.2001720553594 2955222 CC1CCCCN1C(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)Br 1 3.3 1 4 -12.8317489142075 2955208 CC1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CO3)C 1 3.766 2 3 -6.09986654992265 2955205 CC1(CC1(Cl)Cl)C(=O)NNC(=S)NCC2=CC=CO2 1 1.932 3 2 0 -10.5348330122717 2955196 CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C(=C2)OCC)OCC)OCC)C(=O)OCC 1 4.415 1 6 0 -17.3104559416384 2955181 CC(C1=CC=CC=C1)NC(=O)CCCOC2=CC=CC=C2OC 1 3.387 1 3 -17.4482720794299 2955179 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NCC2CCCO2 1 0.601 4 4 0 -19.8634119978779 2955174 C1CC(OC1)C(=O)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCO4 1 0.47 3 5 0 -20.348622915019 2955119 CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CC(OC(C2)C)C)C 1 4.22 2 3 -19.0007850587185 2955124 CC(C)CC(C(=O)O)NC(=O)C1=CC(=C(C=C1)OC)OC 1 2.202 1 5 -20.9125985408876 2955158 CC(=O)C1=CC(=CC=C1)NC(=O)NC2CCCC3=CC=CC=C23 1 3.285 2 2 -6.70109305556629 2955157 CC(=O)OC1=C(C=CC(=C1)OC)C2=NN(C(C2)C3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4 1 4.151 2 5 0 -6.16587959800229 2955152 CC1CCC(CC1)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2 1 3.535 2 2 -22.6904029033049 2955141 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 3.944 5 3 0 -12.127265181364 2955085 CC1CN(CC(O1)C)C(=O)NC2=CC3=C(C=C2)OCO3 1 1.363 2 4 0 -12.0773855805301 2955075 CCCOC1=CC=C(C=C1)C2CC(=O)NC3=CC(=C(C=C23)OC)OC 1 3.383 1 4 -8.77786964992452 2955071 C1COCCN1C2=CC=C(C3=NON=C23)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-] 1 1.837 6 5 0 -8.20289513286201 2955056 CC(C1=C(C=CC(=C1)OC)OC)NC(=O)NC2=CC=CC(=C2)C(=O)C 1 2.614 2 4 -12.0569204450574 2955049 CC1=CC(=NC(=N1)N2C(=O)CC(C2=O)C(C)C3=CC=CC=C3)C 1 2.5 3 2 -4.33671630123135 2955047 CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C(=O)C3CCCO3)C 1 3.327 3 4 0 -28.442845676766 2955046 CC(C)(C)OC(=O)N1CC2CC(C1)C3=C(C2)NC(=O)C=C3 1 1.301 2 3 0 -12.4392242623112 2955042 C=CCNC(=O)CC12CC3CC(C1)CC(C3)(C2)CC(=O)NCC=C 1 2.16 2 2 -11.1779119296411 2955038 CCCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.184 2 5 0 -22.3329411994026 2955025 CN(C)CCNC(CC(=O)NC1=CC=CC=C1OC)C(=O)O 1 -2.627 3 4 0 -12.7339996745271 2955023 COC1=C(C=C(C=C1)Cl)NC(=O)NNC(=O)C2=CC=CC=N2 1 1.705 4 3 0 -7.9321148277126 2955022 CC1=NN(C(=N1)C)CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O 1 2.538 3 3 -4.59601211635037 2955014 COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C(=O)C3CCCO3 1 3.246 3 3 -22.3031286195421 2955007 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4CCCO4 1 1.942 3 4 0 -23.4787629545723 2955005 CCOC(=O)C1=CC=C(C=C1)NC(=O)NCCC2=CC=CC=C2OC 1 3.038 2 4 -14.7591080056824 2954998 C1CN(C(C(=O)N1)CC(=O)NC2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC=C3 1 1.714 4 3 0 -22.8724442697291 2954992 CCOC1=CC=C(C=C1)NC(=S)NNC(=O)CC(C)O 1 1.896 3 3 0 -8.65339537010265 2954987 CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.403 3 4 0 -9.74076438091874 2954985 CCC(C)C1=CC=C(C=C1)NC(=S)NC(C)C2CCCO2 1 4.898 2 1 -12.6018357444012 2954982 CC(C(=O)NNC(=S)NC1CCCC1)OC2=CC=CC=C2OC 1 3.125 3 3 -12.9645437485385 2954980 CCOC(=O)N1CCC(CC1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 1.895 3 5 0 -15.3237077135885 2954977 CC1=CC=C(C=C1)C(CC(=O)N2CCOCC2)C3=CC=CO3 1 2.377 1 3 -11.5860125340867 2954976 CC1=C(C(=CC=C1)NC(=S)NNC(=O)CC(C)O)C 1 2.536 3 2 -5.46350689787532 2954956 CC1=CC(=C(C=C1)OC)NC(=O)NNC(=O)C(C)OC2=CC=C(C=C2)[N+](=O)[O-] 1 2.463 4 6 0 -12.0074503504368 2954950 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCC(CC3)C)O)C)C.Cl Cl- 1 3.459 2 4 -10.0021821448175 2954935 CCN(CC)C(=O)CC(C1=CC=CC=C1)C2=CC=CO2 1 2.901 1 2 -12.3644708716458 2954931 COCCNC(=S)N1CCN(CC1)S(=O)(=O)C 1 7.e-002 3 3 0 -26.5599837449949 2954928 COC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CC(=CC=C3)Cl)OC 1 3.191 1 3 -6.3126573001974 2954925 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CN=CC=C3 1 2.834 3 3 -23.6292771763224 2954910 COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN=C2C3=CC=CC=C3 1 3.206 2 3 -6.35908501116729 2954909 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCCOC 1 2.762 3 3 -15.1584262766946 2954907 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C 1 2.564 3 3 -13.6509073426337 2954905 CC(C)CC(C(=O)O)NC(=O)C1=CC=C(S1)C#CC(C)(C)O 1 3.048 1 4 -18.7844802886334 2954902 CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 5.716 4 0 -7.57151156017291 2954894 COC1=CC(=C(C=C1)S(=O)(=O)NNC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC)OC 1 4.882 3 6 0 -21.3875553108346 2954887 CC1=CC(=C(C=C1Cl)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C)OC 1 2.615 2 3 -10.8106745996946 2954885 COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)CC3=CC=CC=C3)OC 1 5.723 2 2 -11.3173650162129 2954880 CCOC1=CC=C(C=C1)C(C)NC(=S)NC2CCCCC2 1 4.809 2 1 -8.68965187628877 2954878 CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCC(CC2)C(=O)OCC 1 1.539 2 6 0 -16.4593311839928 2954874 CC(C)(C)OC(=O)NNC(=O)NC12CC3CC(C1)CC(C3)C2 1 2.256 3 3 -10.6393079810164 2954873 CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC 1 5.058 3 1 -6.38492007912599 2954872 CCOCCCNC(=O)C(C)NS(=O)(=O)C1=CC=C(C=C1)C 1 1.051 2 4 0 -20.3218897801959 2954861 CC1CCCCC1NC(=O)C(=O)NCCCOC 1 0.836 2 3 0 -18.8572190099809 2954858 CCOC1=CC=CC=C1NC(=O)C2CCC(=O)N2S(=O)(=O)C3=CC=C(C=C3)C 1 2.576 2 5 0 -18.3340140413159 2954849 C1CN(CCC1C(=O)N)C2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-] 1 1.21 4 4 0 -1.25702581398992 2954844 CCN1CCCC1CNC(=O)C(=O)NC2=CC=CC=C2OC 1 1.265 3 3 0 -18.7559582907498 2954832 CC(C1CC2CCC1C2)NC(=S)NC3=CC=CC=C3C(F)(F)F 1 5.696 2 0 -6.36626358012825 2954818 CC1CN(CC(O1)C)C(=O)NC2=CC=CC(=C2)C(=O)C 1 1.334 2 3 0 -11.6917799383894 2954816 CC1(CC(=CC(=O)C1)NCCN2CCN(CC2)C(=S)NC)C 1 1.818 4 1 0 -23.2801662762734 2954815 COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NC3CCCCC3N2)C(=O)OC 1 0.824 3 6 0 -15.0758507234152 2954814 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=S)NC3=C(C=C(C=C3)Br)Cl 1 4.584 3 3 -17.6370302229982 2954811 CN(C)CCNC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] 1 0.979 4 3 0 -6.18468127221168 2954807 CCCCCNC(=O)C(C)SC1=CC=C(C=C1)Cl 1 4.365 1 1 -7.58461355446308 2954804 C1CC(OC1)CNC(=S)NNC(=O)CC2=CC(=C(C=C2)Cl)Cl 1 3.142 3 2 -12.7881383757173 2954802 CC(C1=CC(=CC=C1)OC)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.833 2 2 -3.23648128467933 2954797 CCNC(=O)N1CCNC(=O)C1CC(=O)OC 1 -1.107 3 4 0 -27.4771809753684 2954796 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=N3 1 1.896 3 3 0 -20.5508658062847 2954742 CCSC1=CC=CC=C1C(=O)NCCCN2C=CN=C2 1 1.732 3 1 0 -10.9651029316417 2954746 CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C)C3=CC=CO3 1 2.068 5 2 0 -11.9721005411371 2954747 CC(C1=CC(=CC=C1)OC)NC(=S)NCC2=CC=C(C=C2)Cl 1 4.85 2 1 -5.96238192053045 2954751 CC1=CC=CC(=C1)C(=O)NC(C)C2=NNC(=S)N2CC=C 1 2.748 4 1 -16.6267885110082 2954756 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCC2=CC=CO2 1 1.589 3 5 0 -13.5886366549534 2954740 CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=O)NC23CC4CC(C2)CC(C4)C3)C 1 2.654 4 3 0 -13.0901235776762 2954737 C1C(CN(C1=O)C2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)F)C(=O)N 1 2.54 2 3 -8.25148317276471 2954729 CC(C(=O)NCCC1=CCCCC1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.276 2 3 -16.0381542746962 2954721 CC1=CN(N=C1)C(=S)NCC2CCCO2 1 2.198 3 1 -8.64748202958066 2954718 CC(C1=CC=CC=C1)NCCC(CC2=CC=CC=C2)C3=CC=CO3 1 5.03 1 1 0.89965880662771 2954714 CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3)C 1 2.152 3 3 -12.8548771952867 2954698 CCC(C)C1=CC=C(C=C1)NC(=S)NCC2=CC=CS2 1 5.486 2 0 -9.86628790759789 2954695 CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N3C(=NC=N3)S2 1 1.573 4 4 0 -14.5649829329991 2954691 CC1=CC=CC=C1C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3CCCC3 1 3.033 5 2 0 -30.5916130276659 2954681 COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 4.714 4 1 -6.28214077155627 2954679 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=C(O4)C 1 4.435 4 4 0 -18.3942135029171 2954672 CC(CC(=O)NC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3 1 3.125 1 3 -8.18149521757678 2954671 CCN1CCCC1CNC(=O)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 1.576 3 4 0 -19.891466058199 2954670 CC1CCCC(N1C(=S)NC2=CC=C(C=C2)C(=O)C)C 1 4.46 2 1 -13.8497203818396 2954664 C1=CC=C(C=C1)OCCCC(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N 1 2.686 3 5 0 -3.19674652489562 2954663 CCCCCOC1=CC=C(C=C1)NC(=O)C(=O)NCC2CCCN2CC 1 3.05 3 3 -16.4543213157441 2954655 CN1C=CC(=N1)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.606 5 3 0 -5.63700608016288 2954653 CCOC1=C(C=C(C=C1Br)C2CC(=O)NC3=CC(=C(C=C23)OC)OC)OC 1 3.591 1 5 -10.4734480796657 2954650 C1CC(=O)N(C1)CCCNC(=O)NC23CC4CC(C2)CC(C4)C3 1 1.228 3 2 0 -23.3601152110664 2954649 CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2(CC2(Cl)Cl)C 1 3.226 3 3 -10.3851071998372 2954636 CC1=CC=C(C=C1)C2=NN(C(=N2)N)C(=O)C3=CN=CC=C3 1 1.994 5 1 0 1.22912397166747 2954632 COC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CN=CC=C2)OC 1 2.09 4 3 0 -13.5477426294631 2954624 CCC(CC)(C#C)NC(=S)NC1=CC=CC(=C1)C(=O)C 1 5.074 2 1 -11.7978318874119 2954622 CC(C)C1=CC=C(C=C1)OC(C)C(=O)NNC(=O)NC2=C(C=C(C=C2)OC)OC 1 3.26 3 5 0 -11.6357884919397 2954618 COC1=CC(=C(C=C1)S(=O)(=O)NNC(=S)NCCC2=CC=CC=C2)OC 1 2.994 3 4 0 -12.47598486527 2954609 CC1=CC(=C(C=C1)OC)NC(=O)NC(C)C2=CC3=C(C=C2)OCO3 1 3.145 2 4 -11.1936499308587 2954604 COC1=C(C=C(C=C1)Cl)NC(=S)N2CCCC2 1 4.157 2 1 -9.08595189696063 2954602 COC1=CC=CC=C1OCCCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.788 1 5 -14.6366635524353 2954601 C1CCCN(CC1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.42 3 3 -7.49698175396977 2954598 CCOC1=CC=C(C=C1)NC(=O)NNC(=O)C(C)OC2=CC=CC=C2OC 1 2.415 3 5 0 -10.6028834173877 2954597 CC(C(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)SC3=CC=CC=C3 1 2.594 2 3 -14.5338344431709 2954595 CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C4=CC=CC=C4F 1 2.568 6 2 0 -19.72539902566 2954586 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)CNC(=O)CC3=CC=C(C=C3)OC 1 2.101 5 5 0 -24.0375683352341 2954577 CC1=NC2=CC=CC=C2C(=C1)C(=O)NNC(=S)NC(C)C3=CC=CC=C3 1 3.849 4 1 -10.6848672931422 2954576 COC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(C=C5)F 1 3.287 3 6 0 -10.2220188521595 2954563 COC1=C(C=C(C=C1)CCNC(=S)NC2CCN(CC2)CC3=CC=CC=C3)OC 1 4.223 3 2 -9.62503611758914 2954557 C1CN(CCN1C=O)C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4 1 -7.8e-002 3 5 0 2.70697308992538 2954539 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CS3 1 2.297 2 2 -12.8434244705611 2954537 CC1=C(C=CO1)C(=O)NNC(=O)NC2=C(C=C(C=C2)F)F 1 1.44 3 3 0 -6.21816603270904 2954533 CC1CC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=C(C=C3)OC)C4=CC=C(O4)C)C(=O)C1C(=O)OC 1 3.09 1 7 0 -32.2997201205696 2954530 COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=C(C=C(C=C3)F)[N+](=O)[O-] 1 5.948 3 4 0 -18.4947094504676 2954528 C1CNC(=O)C(N1)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 -0.532 3 4 0 -21.6704269663866 2954522 CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CCCOC3=CC=CC=C3OC 1 4.406 2 7 0 -13.6826068119435 2954514 CCCN1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.772 4 2 -11.0895331365817 2954503 CC1=CC(=C(C=C1)C(=O)C(C2(CCCCC2)C(=O)OC)O)C 1 3.837 0 4 0.81971632014306 2954501 CC(C1=CC=CC=C1)NC(=S)NNS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C 1 4.484 3 2 -8.48218437588108 2936085 CCC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.943 2 5 0 -11.4026257194788 2936074 CCC(C)C1=CC=CC=C1OCCCN(C)CC2=CC=CC=C2 1 5.248 1 1 3.45477932118697 2935994 C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(C(=O)N2CC3=CC=CO3)O)C(=O)C4=CC=CO4 1 2.44 2 7 0 -19.5857254754278 2935977 CC(C(=O)NC1CCS(=O)(=O)C1)OC2=CC=CC=C2F 1 1.07 1 4 0 -16.1141358323314 2935972 CC1(C(C1C(=O)N2CCN(CC2)CC3=CC=CC=C3)C=C(Cl)Cl)C 1 3.394 2 1 -2.48848286517979 2935915 CC1CN(CC(O1)C)CCCCOC2=CC3=CC=CC=C3C=C2 1 3.945 1 2 3.96675586246625e-002 2935904 C1=CC=C(C(=C1)CC(=O)ON=C(C2=CN=CC=C2)N)[N+](=O)[O-] 1 1.165 4 4 0 -5.33163455797517 2935872 C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCCCC3 1 3.134 3 3 -5.07688377730364 2935861 CCC(C)NCCCOC1=C(C=C(C=C1)C)OC 1 3.198 1 2 -4.8958820796402 2935776 C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCCC3 1 2.222 3 3 -4.72241526313556 2935739 C1=CC=C(C=C1)OCCOCCSC2=NC=CC=N2 1 2.615 2 2 -4.91603368368817 2935732 CCCCSC1=NC(=O)C(=NN1)C2=CC=CC=C2NC(=O)C 1 2.674 4 2 -15.0252270917467 2954495 CC(C1=CC2=C(C=C1)OCO2)NC(=O)NC3=C(C=C(C=C3)F)F 1 3.086 2 3 -8.48734561251395 2954494 CCN1C=C(C(=N1)C)C(C)NC(=O)NC2=CC=CC=C2C(=O)OC 1 2.044 4 3 0 -19.2667479415061 2954491 CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OC)OC 1 5.984 2 2 -8.85634695751212 2954481 CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)CN4C=NC5=C4N(C(=O)N(C5=O)C)C 1 3.36 6 4 0 -4.34529640240229 2954480 CCN1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.268 3 5 0 -18.4751722651777 2954469 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.19 3 4 0 -13.0710547995532 2954456 C1CC(OC1)CNC(=S)NNS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.81 3 3 -12.9779386247837 2954454 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CO3 1 3.608 3 2 -15.1810984541481 2954452 CC1=COC(=C1C(=O)CC2(C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)O)C 1 3.159 1 4 -6.69991993836945 2954445 CC(C1=CC=NC=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.217 4 2 -9.46628806614724 2954434 CN(C)C(=S)NC1=CC2=C(C=C1)OCO2 1 2.816 2 2 -7.85780542261717 2954433 CCN1CCN(CC1)C(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C 1 4.313 3 3 -13.6241431187557 2954430 CC1=CC(=NN1C)CNC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.106 4 1 -13.8892612673662 2954419 CN1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 4.187 3 2 -1.73434934672043 2954404 C1=CC(=CC=C1NC(=O)NC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-] 1 3.287 3 3 -3.12311429807329 2954398 C1=CC=C(C=C1)CCNC(CC(=O)NC2=CC=C(C=C2)O)C(=O)O 1 -0.757 2 4 0 -8.46525588922178 2954390 CCN1C(C(=O)N(C1=O)CC)CC(=O)NC2CCCCC2 1 1.25 3 3 0 -19.5092761936984 2954383 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC 1 2.892 3 2 -11.0149606530547 2954382 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.986 2 5 0 -8.70071982505664 2954380 CN1C(C(=O)N(C1=O)C)CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.053 4 3 0 -20.7604803626295 2954370 CC(C)NC(=S)NNC(=O)C12CC3CC(C1)CC(C3)C2 1 3.037 3 1 -11.1580481153283 2954359 CC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCC3 1 1.153 3 3 0 -13.9366235501478 2954346 C1CCC2(C1)C(CC(=O)O2)C(=O)N3CCOCC3 1 0.326 1 4 0 -9.79600106410856 2954345 C1=CC(=CC=C1CCNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])Cl 1 4.975 3 2 -8.12797016797783 2954328 C1C2CC3CC1CC(C2)(C3)NC(=O)NCC4=CC=CC=N4 1 2.16 3 1 -9.77801423644828 2954320 CC1=CC=CC=C1C2CC(=O)NC3=CC(=C(C=C23)OC)OC 1 3.013 1 3 -10.195886726613 2954299 CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C 1 5.424 3 6 0 -15.1720238939173 2954287 C1COCCN1C2=CC=C(C3=NON=C23)NC(=O)NC4=CC=C(C=C4)F 1 2.148 5 3 0 -5.39662032003952 2954279 CCCN1CCC(CC1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.824 4 3 0 -6.11557935008885 2954257 CCC(C)NC(=S)NNC(=O)C1=CC=C(C=C1)C(C)(C)C 1 4.07 3 1 -9.56010942896769 2954243 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)OC)OC 1 2.792 2 5 0 -16.4240205418417 2954239 COC1=CC(=C(C=C1)S(=O)(=O)NNC(=O)NC2=C(C=C(C=C2)F)F)OC 1 1.86 3 5 0 -8.37708989932333 2954230 CCOC1=C(C=C(C=C1)CC(=O)NNC(=S)NC2CCCCC2)OCC 1 3.977 3 3 -16.0625876938688 2954228 CC1=CC(=CC(=C1)NC(=O)CC2C(=O)NCCN2)C 1 0.655 3 2 0 -17.7327541634045 2954226 CCCCN1C2=CC=CC=C2C(C1=O)NC(=O)C 1 1.433 2 2 0 -6.92507080651483 2954224 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.6 2 5 0 -20.041366150062 2954221 CC(C(=O)NNC(=S)NCC1CCCO1)OC2=C(C=C(C=C2)F)F 1 2.509 3 3 -15.1289939620965 2954217 CC1=CC(=NO1)NC(=O)C23CCC(C2(C)C)(C4=NC5=CC(=C(C=C5N=C34)Cl)Cl)C 1 4.976 4 2 -12.0790312998584 2954215 CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NNC(=O)NC2=C(C=C(C=C2)F)F 1 4.147 3 3 -6.68184862269057 2954206 CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)CC4=CC=C(C=C4)OC 1 2.381 6 3 0 -19.6974992610906 2954200 COC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CO3 1 2.593 4 3 0 -5.161363047776 2954199 CN1CCN(CC1)NC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 1.946 4 1 0 -2.01493592652807 2954194 CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NC(=O)C(C(=O)N2)NC(=O)C 1 1.283 4 4 0 -16.9181894096743 2954178 CC1=NN=C(S1)SCC2=C(C=C(C=C2)F)Cl 1 3.559 2 0 -10.3525391896296 2954170 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCCOC3=CC=CC=C3Cl 1 2.383 3 4 0 -15.9503425528116 2954167 CCOC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)C 1 1.493 3 6 0 -28.890517388372 2954158 CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCNCC3 1 0.582 5 3 0 -10.0516900863815 2954150 CCC(C)NC(=S)NNC(=O)C1=CC=NC=C1 1 1.519 4 1 0 -12.9529614147287 2954148 CN1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC(=O)NC3=CC(=CC=C3)OC)OC 1 3.212 3 4 0 -11.4974886500623 2954147 CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O 1 3.528 2 4 -13.8103108450711 2954130 CCN1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)OC 1 3.577 3 3 -8.26506062013973 2954127 CC1=NN(C(C1)(C2=CC=C(C=C2)F)O)C(=O)CSCC3=CC=CC=C3 1 2.958 2 2 -9.2256514372241 2954124 CCN1C=C(C(=N1)C(=O)N)NC(=O)NC2=CC(=C(C=C2)OC)OC 1 0.919 5 4 0 -13.1053706416836 2954118 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC(C)C 1 2.828 2 3 -23.2510884192787 2954113 CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.492 3 4 0 -9.56505784781684 2954109 CCCC(C)NS(=O)(=O)C1=CC(=C(C=C1)OC)C 1 2.917 1 3 -10.4195985668422 2954106 CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC3=C(C=C2)OCO3 1 3.675 2 4 -6.1801609734282 2954105 CN1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC(=O)NCC3=CC=CC=C3)OC 1 3.235 3 3 -16.2293007679837 2954096 CC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3 1 4.486 2 4 -5.62038202316731 2954087 CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CS3 1 2.31 3 3 -9.9315636183513 2954083 COC1=C(C=C(C=C1)CCNC(=S)NCC2=CC(=C(C=C2)Cl)Cl)OC 1 5.441 2 2 -10.7224446802935 2954026 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)CC4=CC=CS4 1 3.827 3 2 -5.18320712785854 2954018 CC(C(=O)NC1=C(C=CC(=C1)OC)OC)OC2=CC=C(C=C2)Br 1 3.649 1 4 -9.25601918181631 2954015 C1COCCN1C2=CC(=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N4CCOCC4 1 2.873 4 5 0 -3.60941976895254 2954014 C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=CC=C4Br 1 2.754 2 4 -15.6933833379242 2954009 CC(C(=O)NC1=CC=NC=C1)OC2=CC=C(C=C2)Br 1 2.532 2 2 -7.65551845561405 2954006 CC(C(=O)N1CCC(CC1)C(=O)N)OC2=CC=C(C=C2)Br 1 1.786 2 3 0 -9.44047550451351 2954053 C1=COC(=C1)CNC(=S)NCCC2=CC=C(C=C2)Cl 1 3.992 2 1 -7.77116218690384 2954046 C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)ON=C(C2=CC=NC=C2)N 1 0.966 4 5 0 -3.00761112405038e-002 2953983 CC1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CS3 1 5.05 3 1 -10.2631531050374 2954002 C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NC=CS4 1 1.077 4 3 0 -11.2520960478965 2954001 C1CC1C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4 1 3.209 3 3 -16.7048910649262 2953999 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C=CC(=C3)Br)Cl 1 3.674 3 1 -0.610519005301846 2953998 CC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4 1 1.348 6 1 0 -10.7482015954424 2953997 C1CN(CCN1C2=CC=CC=N2)C(=O)COC3=CC(=C(C=C3Cl)Cl)Cl 1 4.09 3 2 -3.85353121984229 2953991 C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC=CO4 1 2.419 2 4 -13.473404370909 2935629 C1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 1.905 3 4 0 -8.94585557722026 2935569 CC(C)C(C(=O)NC1=NCCS1)NC(=O)C2=CC=CS2 1 2.443 3 2 -24.0863163430626 4198552 C1CC1NC(=O)C(C2=CC=CC=C2)Cl 1 2.114 1 1 -7.76740333963848 4198453 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3 1 2.388 2 3 -24.6024658149522 4198483 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CN2C=C(C(=N2)OC)[N+](=O)[O-] 1 0.694 5 5 0 -5.99917557810805 4198391 CC1=C(SC(=N1)NN=CC2=CC=CC=C2OC)C(=O)C 1 2.106 3 2 -3.54208239467578 4198369 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)NN=CC3=CC=CC=C3 1 1.321 4 4 0 -26.5012285782438 4198335 C1CC(OC1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)F 1 2.273 2 3 -14.3505383582641 4198331 C1CC(OC1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)F 1 2.28 2 3 -17.8770294540923 4198330 CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 2.554 2 3 -17.8073825295132 4198329 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 2.561 2 3 -18.5889064795576 4198327 CCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 3.01 2 3 -15.3018535195085 4198229 CC(CNC1=C(C=C(C(=C1)N)[N+](=O)[O-])[N+](=O)[O-])O 1 0.519 4 5 0 -2.31481830439768 4198215 CC1N=NC(=CN1O)C2=CC=C(C=C2)F 1 1.925 3 1 0 -0.740101391190053 4198157 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=CC=C(O4)Br 1 5.447 2 5 0 -8.25640621579403 4198144 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCOCC4 1 3.392 3 3 -11.0963669623034 4198088 C1CCC(C1)NC(=O)C(C2=CC=C(C=C2)Cl)N3CCC4=CC=CC=C43 1 4.912 2 1 -8.24294210604131 4198087 COC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N3CCC4=CC=CC=C43 1 4.231 2 2 -10.4779070057723 4198072 C1C2CC3CC1CC(C2)(C3)C4=NC(=S)N5C=CSC5=N4 1 3.952 3 0 -4.05952702836456 4198019 CC1=CC=C(C=C1)NC(=O)CCC2CC(OC2=O)(C)C 1 2.597 1 3 -11.6024810050003 4198006 CCC(=NNC(=O)CCC(=O)NC1=CC=CC=C1OC)C2=CC=CC=C2 1 2.65 3 3 -13.9081199673632 4197924 COC1=CC=CC=C1OCC(=O)NN2C(=O)C3=C(NC2=S)N=CC=C3 1 2.183 4 4 0 -11.5846725901826 4197911 CC1=CC(=C(C=C1)N=CC=C2OC(C(O2)(C)C)(C)C)C 1 4.347 1 2 5.35132135664165 4197903 CC(C(=NO)C)NC(=O)C1=CC=CC=C1 1 1.171 2 2 0 -7.4008169934806 4197881 C1CN(CCC12OCCO2)C(=O)CNC(=O)CN3C=CC4=CC=CC=C4C3=O 1 -0.677 3 5 0 -19.5468239323488 4197877 CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)Br 1 3.15 2 2 -6.63024410031472 4197856 CC1=CC=CC=C1C(=NC(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 5.429 1 1 -8.3620989625165 4197825 CC1=CC=C(C=C1)NC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 4.496 2 3 -9.83591100780026 4197767 CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C 1 4.51 3 3 -20.3154794833942 4197752 COC1=CC=C(C=C1)N2CCN(CC2)CCCN3C(=O)C4=C(NC3=S)N=CC=C4 1 3.344 5 2 0 -0.617322466297763 4197620 COC1=C(C=C(C=C1)Cl)NC(=O)C2=CN=C3N(C2=O)C=CS3 1 1.274 3 3 0 -12.6484654418158 4197619 CC1=C(C2=CC=CC=C2N1)CCN(CC3=CC=CO3)C(=S)NC 1 4.302 3 1 -8.48399459750046 4197564 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C=C3)OCCC(C)C)OC)CCN4CCOCC4)O 1 3.3 2 7 0 -25.385344478128 4197461 CC1CCN(CC1)C(=S)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 3.334 3 2 -21.0590080057111 4197372 C1=COC(=C1)C(=O)NC2=NC(=C(S2)C(=O)C(F)(F)F)C3=CC=CS3 1 4.026 2 3 -8.36864129399786 4197229 C1OC2=CC=CC(=C2O1)CNC3=C(N=C(O3)C4=CC=C(C=C4)F)C#N 1 3.45 3 3 4.3658395949297 4197183 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)Br 1 3.738 2 2 -6.03123998732958 4197169 CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)C4=CC=CC=C4 1 4.038 2 3 -6.0952852515973 4197096 CC(C)(C)C(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC(=CC=C3)Cl 1 3.013 3 3 -7.63147466467319 4197087 C(CCCCNC(=O)C(F)(F)F)CCCCNC(=O)C(F)(F)F 1 3.665 2 2 -7.80534299604012 4197086 CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.347 4 3 0 -16.8863863596424 4197070 COC1=CC(=C(C=C1)OC)NC(=O)C2=CN=C3N(C2=O)CCS3 1 1.19 3 4 0 -14.3038692315588 4197069 COC1=C(C=C(C=C1)NC(=O)C2=CN=C3N(C2=O)CCS3)OC 1 1.19 3 4 0 -17.0629873498551 4197055 C1=CC=C(C(=C1)NC(=O)CSC2=NC=NC3=C2C=CS3)F 1 3.035 3 1 -13.3019015194775 4196871 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN=C(C)C2=CC=CS2 1 2.431 3 3 -22.4845755230869 4196840 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NN=CC3=CC(=CC=C3)F 1 4.407 2 1 0.642180738126765 4196756 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)NN=CC2=CC=CC=C2 1 0.86 4 4 0 -18.0878149058567 4196755 COC1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.926 4 4 0 -11.1294620705456 4196733 CC1=CC(=C(C=C1)C)NC2=C(C(=O)OC2OC(=O)C3=CC=CO3)Cl 1 3.917 1 5 -5.21389568790804 4196703 CCC(C(=O)OCC)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3 1 2.647 4 3 0 -10.1668473491901 4196655 CC1CN(CC(O1)C)C2=C(OC3=C2C=C(C=C3)[N+](=O)[O-])C=C(C)C 1 4.324 2 4 -4.97160305715534 4196594 CC1=CC=C(C=C1)C(=NNC(=S)NCCC2=CC=CC=C2)C 1 4.602 3 0 -9.77845700595568 4196548 CCCCCCC(C)N1C=C(C(=O)N(C1=O)C)C(=O)C 1 2.165 2 3 -11.7742105608505 4196399 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)CCC3CCCC3 1 3.777 2 5 0 -12.8017250630525 4196307 CC1=CC(=CC=C1)NC(=O)NC2=CC=CC3=CC=CC=C32 1 3.917 2 1 -2.81569144799076 4196133 COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.225 4 3 0 1.80593448951323 4196061 CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCOCC 1 3.415 3 3 -16.9183317197818 4196042 CC1=C(C=C(C=C1)N2C(=NNC2=S)C3=NOC(=C3)C)C 1 3.679 4 1 -8.93992854936981 4195994 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C(=O)NC3=CC(=C(C(=C3)Br)O)Br 1 4.049 2 4 -2.75807148355052 4195993 CC1=CC(=NC2=C1C3=C(S2)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)OC)C 1 3.605 3 2 -1.16073978383475 4195878 CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5 1 4.144 3 4 0 -10.3855329306307 4195876 CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCN3CCOCC3 1 1.974 3 6 0 -26.193767623465 4195865 COC1=CC=C(C=C1)N2C(C(C2=O)(F)F)C3=CC=CC=C3F 1 3.348 1 2 -2.41108649810967 4195818 CC1=CC2=C(N1)C=CC(=C2)CNC(=O)C 1 1.396 2 1 0 -4.38572438361315 4195801 CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)COC 1 2.11 2 4 -6.96736650993947 4195781 CC1=C(SC=C1)C=NNC(=O)CNC(=O)CC2=CC=C(C=C2)OC 1 2.201 3 3 -12.3587751553547 4195767 CC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(Cl)Cl 1 4.245 1 1 -7.15310097844187 4195720 CCN(CC)C1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2Br)S(=O)(=O)NC3=CC=CC=C3OC 1 4.694 3 4 0 -11.9775334923927 4195724 CCOC(=O)CSCC(=O)N1CCC(CC1)CC2=CC=CC=C2 1 2.774 1 3 -9.6211992539344 4195707 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCOC)N3CCOCC3 1 2.822 4 2 -12.5029882374478 4195676 COC1=CC=CC(=C1OC)C2N(C(=O)CS2)C3=CC=C(C=C3)Br 1 3.954 1 3 -12.9008735994935 4195607 CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)NC(=O)C 1 1.515 5 5 0 -16.696499234487 4195577 CCOC1=CC=C(C=C1)NC(=S)N2C(CC3=CC=CC=C32)C 1 5.504 2 1 -10.4882571720858 4195515 CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C)S(=O)(=O)N(C)C 1 -0.224 4 4 0 -14.7252596103142 4195203 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl 1 2.955 2 3 -3.38322090859869 4195030 CC1=CC=CC2=NC(=CC(=O)N12)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5Cl 1 3.304 6 2 0 -20.2343603461293 4194972 CCC1CCCCN1CC(C)(C)NS(=O)(=O)C2=CC=CC=C2 1 3.28 2 2 -9.98961758711504 4194881 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NCC(OC)OC)C3=CC=CS3 1 3.302 3 5 0 -22.5763552454933 4194877 CCC1=CC(=CC=C1)NC(=O)CS(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C)C 1 3.514 2 3 11.7152313366603 4194875 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NC3=CC=C(C=C3)C 1 3.058 2 3 10.0395672118985 4194806 CCC(C)N=CC1=C(N=C2C(=CC=CN2C1=O)C)NCC3=CC=CO3 1 2.307 4 2 -11.0785677496071 4194805 CC12COC3(C1(CCC2C3)CP(=O)(C4=CC=CC=C4)C5=CC=CC=C5)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7 1 7.429 0 3 -4.02345277671823 4194728 CCN1C(=C(C=N1)Br)C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4 1 3.985 5 1 -3.35242308489305 4194714 CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC2=CN=CC=C2 1 3.611 2 1 -2.28277378734482 4194688 CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C42)C 1 2.443 2 6 0 -21.8071449390741 4194680 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CS2)C)S(=O)(=O)N(C)C 1 2.657 2 3 -13.4274134110337 4194678 CN1CCN(CC1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 2.474 4 3 0 -21.3274052065151 4194582 CC1(CC(=NNC(=S)NC2=CC=C(C=C2)OC)C3=C(O1)C=CC(=C3)O)C 1 4.308 3 3 -11.1889282866221 4194525 CCCCCCCCC(=O)NC1=C(C=CC(=C1)C)OC 1 4.824 1 2 -10.792849539619 4194491 C1=CC=C2C(=C1)C(=NC(=N2)C(Cl)(Cl)Cl)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 4.437 5 2 0 -0.912693408193784 4194468 C1COCCN1C(CNC(=O)C2=CC=CC=C2F)C3=CC=C(C=C3)F 1 2.887 2 2 -15.9603587663792 4194417 CC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=CC=C4 1 4.644 2 2 -4.6083864874927 4194413 C1C(=O)N(C(S1)C2=CC(=CC=C2)F)C3=C(C=CC=C3F)F 1 3.855 1 1 -10.1493808725749 4194390 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)NN=C3CC(=O)C4=CC=CC=C34 1 3.791 3 2 -8.02352136113312 4194316 CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NCC 1 5.214 4 2 -11.9370924464835 4194264 CCCSC1=NC2=C(N1CC(CO)O)C=C(C(=C2)C)C 1 3.429 2 2 -4.81684994446853 4194222 CCOC1=CC=C(C=C1)NC(=S)NCCCN2CCOCC2 1 2.733 3 2 -11.8081436227136 4194154 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)NC1=S 1 3.124 3 3 -13.547388897049 4194153 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)NC1=S 1 3.083 3 3 -14.4671358244351 4194145 C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4Cl 1 4.264 3 2 -7.78558484167079 4193841 CCCC(C1=CC=C(C=C1)Cl)(C(CN2CCOCC2)C3=CC=CC=C3)O 1 4.473 1 2 -2.28861338416518 4193839 CC1=C(C(=CC=C1)C)NC2=C(N=C3N2C=CC=N3)C4=CSC=C4 1 4.856 4 0 -2.0121152671013 4193835 C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)NC3=NNC(=S)S3 1 2.449 4 3 0 -9.38357242185196 4193807 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)O 1 2.737 1 4 -8.84229457291928 4193806 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC=C2)C(F)(F)F 1 3.271 1 3 -10.6838903433566 4193582 COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4)N)C#N)CN5C=C(C=N5)[N+](=O)[O-] 1 3.719 6 4 0 -28.1693728854736 4193540 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)NC2=CC=CC=C2OC 1 2.482 2 3 -12.9424605940435 4193532 C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C(C=CC=N4)C(=O)O 1 2.592 2 3 -14.7928944921448 4193530 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC=CC=N3)C4=CC=CC=C4 1 3.535 4 2 -9.94618289160376 4193490 CCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CCOC 1 2.579 3 4 0 -7.68251171895107 4193436 C1C2CC3CC1CC(C2)C3=NNC(=S)NC4=CC=CC=C4 1 4.496 3 0 -4.16340627466469 4193386 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)COC 1 1.228 4 5 0 -13.8768152649411 4193360 CC(=O)NC1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br 1 2.528 5 2 0 -5.65742233988237 4193337 CC1=CC(=CC=C1)CC(=O)N2CCN=C2SCC3=CC=C(C=C3)[N+](=O)[O-] 1 4.307 3 3 -12.6679914019807 4193335 C1COCCN1C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F 1 0.431 4 4 0 -26.4537336100919 4193262 C1=CC(=CC(=C1)Cl)NC(=O)NNC2=NC(=CC=C2)Cl 1 2.834 4 1 -1.49251058948147 4193248 CC1CCN(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 7.6e-002 4 5 0 -22.2923678331579 4193183 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=NNC3=CC=CC=C32 1 2.272 4 6 0 -20.5468493321862 4193163 C1CCC(C1)CC(=O)OCC(=O)NC2=C(C=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)Cl 1 4.215 1 5 -9.03023356034589 4193137 CC1CCCCC1(C2=CC(=C(C(=C2)OC)OC)OC)O 1 3.21 0 4 -3.18573706710812 4193123 CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=CS3 1 2.765 2 2 -12.1097317930437 4193074 CCOC(=O)CC(=O)CSC1=NC(=O)C2=C(N1)N(C(=S)S2)C3=CC(=C(C=C3)C)C 1 5.149 3 4 0 -15.5766398340536 4193058 C1CC(=O)C(=NNC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C(=O)C1 1 0.818 3 5 0 -21.4825990024763 4192997 COCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 1 3.162 4 6 0 -27.3986579889143 4192819 CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=COCCO3)C 1 2.445 2 3 0.687006829381589 4192756 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(N=CC=C3)Cl 1 2.079 3 5 0 -21.2442587847618 4192707 C1=CC=C(C=C1)CCC(=O)NCCCNC(=O)CCC2=CC=CC=C2 1 2.939 2 2 -13.7475519762014 4192573 CC1=CC=C(C=C1)NC2=CC(=NS(=O)(=O)C3=CC=CS3)C4=CC=CC=C4C2=O 1 4.532 2 3 -0.48374255862233 4192423 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4CCCO4)OC 1 3.382 3 7 0 -34.0805373810662 4192357 CC1CCN(CC1)C(=O)CCCC(=O)N2CCC(CC2)C 1 2.003 2 2 -12.3465250169906 4192243 CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CC(=CC=C2)Cl)C(=O)O)C 1 2.63 2 4 -4.08900931160558 4192210 COC1=CC=C(C=C1)CC2=NNC(=NC2=O)NC3=CC=C(C=C3)Cl 1 3.27 4 2 -7.59223197175121 4192159 COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CC4=CC(=O)NC(=O)N4 1 2.975 5 3 0 -19.1258701554587 4192158 CC1CCN(CC1)C(=O)CN2C=CC3=C(C2=O)C=CC=C3OCC(=O)OC 1 1.058 2 5 0 -18.8729368203914 4192151 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=N3 1 2.451 4 3 0 -17.6197861356133 4192118 C1CC2CN3CCC4=C(C3C(C2C(C1)C(=O)O)O)NC5=CC=CC=C45 1 -0.236 2 3 0 -7.6849969069144 4192102 CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC=CS2 1 1.982 4 4 0 -12.116470326794 4192067 CC(=NOCC(=O)NC1=CC=CC=C1Br)C2=CC=CS2 1 3.014 2 2 -8.74872903261798 4192052 CC(CC1=CC=CS1)N(CC2=CC=C(C=C2)Cl)C(=O)C3=CC=NC=C3 1 4.29 2 1 -3.13597404496857 4192047 C1=CC2=C(C=C1Cl)SC(=C2Cl)C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 5.521 2 3 -1.16527968736349 4192032 C=CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5 1 5.221 4 3 0 -18.9404394636592 4191915 CC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)C3=CC=CS3 1 3.453 3 1 -5.49322283201441 4191879 COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N 1 1.289 3 2 0 -5.65031652158388 4191845 CC1=C(C=C(C=C1)S(=O)(=O)NN=C2C3CC4CC(C3)CC2C4)[N+](=O)[O-] 1 3.177 3 4 0 -4.1935070525694 4191742 C1=CC=C(C(=C1)NC(=O)C2=CC=C(S2)[N+](=O)[O-])F 1 2.792 2 3 -1.30649616097093 4191733 CC1=CC=C(C=C1)C(=O)N2CCN=C2SCC3=CC=C(C=C3)[N+](=O)[O-] 1 4.272 3 3 -12.9184105701149 4191717 COC1=C(C=C(C=C1)C(=O)NN=C2CCCC2)OC 1 1.919 2 3 0 -13.1301449856545 4191632 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S 1 4.035 3 4 0 -18.1891167335142 4191585 CC(C)C(C(=O)NCCOC)NC(=O)C1CCCCC1 1 1.756 2 3 0 -20.2029366597919 4191572 COC1=CC=CC=C1CN2C(=O)C3=C(C=CC(=C3)F)NC2=S 1 3.914 2 2 -3.8364728709521 4191547 CCC(=O)N(C(=O)CC)N1CCN(CC1)C2=C(C=NC=C2)S(=O)(=O)N3CCCCC3 1 0.924 5 4 0 -12.1635256437886 4191472 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C5=NC6=CC=CC=C6N5C(=S)N4 1 5.401 5 2 0 -1.25523382943327 4191109 CC(C)C1C(=C(OC2=NNC(=C12)C3=CC4=CC=CC=C4C=C3)N)C#N 1 4.239 4 1 -0.259694554265507 4191107 COC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=CO4 1 1.846 3 5 0 -5.23970480374541 4191060 COC1=CC(=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br)OC 1 3.375 4 3 0 -6.51293729147489 4190969 C1CN(CCN1C(C2=CC=CS2)C3=C(N4C(=NC=N4)S3)O)C(=O)C5=CC=CO5 1 2.754 5 3 0 -8.73964046414969 4190930 CC1=CC=CC=C1C2C3=CC=CC=C3OC(=C2C=NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C6=CC=CC=C6 1 6.019 3 2 -10.1726075243608 4190893 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)OC)C 1 1.949 3 3 0 -15.0974019663304 4190783 COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-] 1 4.241 3 5 0 -5.85258903030871 4190701 C1COC(=CO1)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 1.033 3 4 0 -1.30927708408016 4190691 C1CN(C2=CC=CC=C21)C(=O)C3=CN=C4N(C3=O)CCS4 1 1.504 3 2 0 -17.4369137948943 4190647 CC1CN(CC(O1)C)C(=O)NC(C2=CC(=C(C=C2)OC)F)C(Cl)(Cl)Cl 1 3.417 2 3 -13.5734389724296 4190625 CC1CCCCN1CC2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)C 1 2.653 5 2 0 -16.1328160145908 4190613 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 1 4.062 3 6 0 -22.9983752321393 4190546 CC1=CC(=CC=C1)CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.839 3 3 -18.8757237063635 4190526 CCC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)CC)OC)OC 1 2.89 2 4 -5.69533024932741 4190443 CCCSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4 1 4.815 4 1 -18.3231209655011 4190417 CC(=NNC(=O)C1CC1)C2=CC=C(C=C2)OC(F)F 1 2.562 2 2 -6.13521190649472 4190409 CCOC(=O)N1CCC(=NNC(=O)C2=CC=C(C=C2)O)CC1 1 1.188 3 4 0 -7.83831163230345 4190327 C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5 1 4.938 4 2 -11.5652758398389 4190320 CCCNS(=O)(=O)C1=CC=CC2=C1N=CC=C2 1 1.799 2 2 0 -10.5805335546316 4190305 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC3=C(C=C(C=C3)OC)NC2=O 1 1.132 3 5 0 -12.402288982957 4190297 CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCCOC2=C(C=C(C=C2)Cl)C 1 4.267 1 5 -11.410029572062 4190291 CCCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.765 1 4 -13.3746529063356 4190114 CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)Cl)Cl)C 1 4.489 2 4 -20.4064494885458 4190095 CC1=CC=C(C=C1)S(=O)(=O)NC2CC2 1 1.716 1 2 0 -7.21631449455952 4190075 C1COCCN1C2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)N5CCOCC5 1 2.508 2 4 3.35580342557028e-002 4190066 COC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)N=CC4=CC(=CC=C4)F)O 1 4.6 3 2 8.1235409664348 4190050 C1CN(CCN1CC(=O)NC2=C(C(=CC=C2)Cl)Cl)C3=CC=CC=N3 1 3.303 4 1 -2.38463950001966 4189943 C1=CSC(=C1)C(=O)C2C(NC(=S)NC2(C(F)(F)F)O)C3=CC=C(C=C3)Br 1 4.851 2 2 4.14969813152122 4189776 CCN1C2=CC=CC=C2N=C1C(C)NC(=O)C3=CC=CS3 1 3.322 3 1 -9.80710935883849 4189772 CC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC(=NN42)CCC5=C(NN=C5C)C 1 4.502 7 1 0 -11.3604688350645 4189744 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN4CCCC(=O)N=C4S3)C5=CC=C(C=C5)Br 1 5.292 5 3 0 -14.9426273091976 4189678 C1CCN(CC1)CCNC(=O)NC2=CC=C(C=C2)Cl 1 2.666 3 1 -4.40338274007809 4189665 CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)SC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)O)SC=C3 1 6.198 3 4 0 -26.3981123932919 4189659 CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)O)SC=C3 1 5.233 3 4 0 -25.0608403738193 4189582 C1CCN(CC1)CCNC(=O)NC2=CC=C(C=C2)F 1 2.207 3 1 -5.51350440519966 4189572 C1=CC(=NC=C1Br)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 3.028 4 1 -10.5151073416426 4189517 CC1=CC=C(C=C1)C(=O)NCCNS(=O)(=O)C 1 0.507 2 3 0 -11.3381029000636 4189487 CC1=CC(=NN1C)C2=NNC(=S)N2C3=CC=CC=C3 1 2.902 5 0 -5.33290845200199 4189402 C1COC(=CO1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4 1 2.991 2 3 0.439024139091388 4189325 COC1=CC=C(C=C1)C2CC23C(=O)OC(=N3)C4=CC=CC=C4 1 3.31 1 3 0.671665251486657 4189308 CC1=CC=C(C=C1)C2C(C(=CC(=C2C(=O)OC)NC3=CC=C(C=C3)OC)C)C(=O)OC 1 4.363 1 5 -8.28216007140628 4189273 CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NC3=NOC(=C3)C)C 1 3.33 4 2 -17.0361805217264 4189255 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=NN3C)[N+](=O)[O-] 1 1.874 5 4 0 -14.7497909810102 4189196 C1CC2C(C(C1O2)C(=O)NC3=CC=C(C=C3)O)C(=O)O 1 0.582 1 5 0 -1.65182451760671 4189088 CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)OC 1 4.049 4 2 -9.54577015443463 4189001 CC1=C(SC(=N1)C)C(=O)NN=CC2=CN(C3=CC=CC=C32)C 1 2.473 4 1 -5.17435931563352 4188927 COC1=CC=CC=C1C2=NN=C(O2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O 1 1.599 4 5 0 -15.1759356555274 4188916 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNCC3=CC(=CC=C3)Cl 1 2.333 4 4 0 -20.0782509510718 4188848 CCOC(=O)C1CCC2(CC1)C(=C(OC3=NNC(=C23)C)N)C#N 1 1.92 4 3 0 -7.36900482737472 4188791 CCCC1=C([N+](=C2C=CC=NC2C1=O)C3=CC=CC=N3)[O-] 1 2.296 3 2 -3.49816563317812 4188760 C1CC2=CC=CC=C2N(C1)C(=O)C3=CN=C4N(C3=O)C=CS4 1 1.363 3 2 0 -16.4451633588703 4188694 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=C(C=C4)F 1 1.748 5 4 0 -26.8304081359423 4188693 CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 4.384 3 5 0 -9.69267084742814 4188570 COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N 1 2.097 3 6 0 -21.260903300563 4188525 COC1=C(C=C(C=C1)NC(=O)C2=C(C=CC=C2F)F)S(=O)(=O)NC3=CC=C(C=C3)Br 1 4.245 2 4 -8.68423991528009 4188516 COC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CCCN4C3=O 1 1.662 4 3 0 -2.96356424482157 4188450 CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCC(=O)O)SC=C3 1 3.75 3 4 0 -30.6158916836998 4188448 CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=C(C(=O)N2CCC(=O)O)SC=C3 1 4.506 3 4 0 -32.406158389653 4188446 CCC(C(=O)NC1=CC=CC=C1OCC)SC2=NC3=C(C(=O)N2CCC(=O)O)SC=C3 1 3.896 3 5 0 -35.702889826138 4188443 C1=CC(=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CCCCCC(=O)O)SC=C3)F 1 3.995 3 4 0 -29.6305252810659 4188439 COC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCCCCC(=O)O)SC=C3 1 3.773 3 5 0 -30.7553685156753 4188284 CC(C)CC(C(=O)NC1=C(C(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)C#N)N4C(=O)C5=CC=CC=C5C4=O 1 5.65 3 4 0 -13.1614339858827 4188174 C1CC2=C(C1)SC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.299 2 4 -22.021730117052 4188121 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(S3)NC(=O)C4=CC=CC5=CC=CC=C54 1 4.453 4 2 -20.6645459600918 4187968 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CC=C(C=C3)Br 1 4.385 1 1 -5.37448675254165 4187954 CCOC(=O)CN(CC1=C(C=CS1)C)C(=O)NC2=C(C=C(C=C2)OC)OC 1 2.985 2 5 0 -11.0723883290945 4187953 CCOC(=O)CN(CC1=C(C=CS1)C)C(=O)NC2=CC(=CC=C2)OC 1 3.001 2 4 -7.44724794621493 4187946 CCOC1=CC=C(C=C1)NC(=O)N(CC2=C(C=CS2)C)CC(=O)OCC 1 3.35 2 4 -8.20097357028886 4187944 CC1=CC(=C(C=C1Cl)OC)N2C(=O)CN(C2=S)CC3=CC=CC=C3 1 4.969 2 2 -7.03420221453383 4187904 C1=CC=C(C(=C1)NC(=O)CNCC2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.104 3 3 -5.68364198975317 4187876 CC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3SC2=NC(=O)C4=CC=CC=C4 1 3.845 2 3 -15.0983574523242 4187869 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 1.024 2 5 0 -25.8726971087956 4187861 CC(C)CCNC(=O)C1=CC2=C(O1)N=C3C=C(C=CC3=C2)OC 1 3.582 2 3 -7.67054184705193 4187859 COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NCC4=CC=CS4 1 3.325 2 3 -6.59598831869058 4187843 C1=CC=C(C=C1)P(=O)(C2=NC=CN2C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl)O 1 4.423 3 3 -6.59771583978426 4187819 C1CC2CC1CC2CC(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F 1 2.805 2 5 0 -4.41113047621449 4187791 CC(C(C1=CC=CC=C1)S)NC(=O)C2=CC=CS2 1 3.413 1 1 -8.19352480765932 4187752 CC1=C(C=C(C=C1)OCC2=NNC(=S)N2N)C 1 2.211 4 1 -6.32325639978865 4187650 CC1=NN(C(=C1C2(C3=CC=CC=C3NC2=O)O)N)C4=CC=CC=C4 1 1.6 4 2 0 -4.55641093259687 4187604 CC(C)(C)NC(=S)NNC(=O)C1=CC(=CC=C1)Br 1 3.099 3 1 -11.0515130075693 4187534 CC(=O)NC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 3.452 6 5 0 -7.21666813247798 4187327 CC1CC2=CC=CC=C2N1C(=O)C3=CN=C4N(C3=O)C=CS4 1 1.284 3 2 0 -15.6687792870129 4187315 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)N3CCN(CC3)C4=NC=CC=N4 1 0.953 5 3 0 12.7998482638287 4187234 CC1=CC=CC=C1C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C 1 1.889 3 4 0 -8.13113746961085 4187185 CCCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)C3C4CCC(C3C(=O)O)O4 1 3.829 1 6 0 -6.51330770696563 4187182 CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3=CN(N=C3C)C)C(=S)NC4=CC=CC=C4OC 1 5.556 5 4 0 -10.9474799717356 4187172 COC1=CC=C(C=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)COC4=CC=CC=C4 1 2.19 3 4 0 -4.70888193236914 4187113 C1CC2=C(C3=CC=CC=C3N=C2C1)NC4=CC=C(C=C4)F 1 4.836 2 0 6.90170590927257 4187107 C1CCC2=NC3=CC=CC=C3C(=C2C1)NC(=O)C4=CC=CC=C4F 1 4.526 2 1 -2.30379799880558 4187046 C1CN(CCN1CC(=O)NCC2=CC=C(C=C2)F)C3=CC=C(C=C3)F 1 3.003 3 1 -5.68213725725249 4187006 CC1=CC(=CC(=C1)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CS3)C 1 5.502 4 0 -4.31432532286633 4186980 CC1=CC2=CC=CC=C2N1CCNC(=O)COC3=CC4=CC=CC=C4C=C3 1 4.075 2 2 -11.0017057459908 4186977 CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=COCCO4 1 1.304 4 6 0 -16.5674198654284 4186863 CC1=C(C=C(C=C1)S(=O)(=O)NN=C2CCN(CC2)C(=O)C)[N+](=O)[O-] 1 0.521 4 5 0 -11.7130674641654 4186597 CC(CNC(=O)C1=CC(=CC(=C1)OC)OC)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.206 2 6 0 -14.3007705750229 4186473 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC=C4OS(=O)(=O)C5=CC=CC=C5 1 2.822 1 5 -7.34212770597411 4186471 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2Br 1 4.232 1 3 -12.7354554123567 4186442 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=COCCO3)OC 1 1.439 2 5 0 -4.63192665410413 4186211 COC1=CC=CC=C1CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S 1 4.457 2 2 -3.67236286880988 4186152 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)Cl 1 4.133 2 1 -5.59319992642905 4185974 COC1=CC=C(C=C1)N2C(=O)C(N(C2=O)CC3=CC=CS3)CC(=O)NC4=CC=CC=C4 1 3.155 3 4 0 -15.6352988995545 4185828 CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC(=NN42)CCN5C=NC=C5C)C 1 3.964 7 1 0 -16.8409791386665 4185771 COCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F 1 4.018 2 2 -8.77383398174289 4185768 CCOCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F 1 4.367 2 2 -10.2817459204726 4185634 CCCN1C=C(C2=CC=CC=C21)SCC(=O)NC3CCCC3 1 4.205 2 1 -14.8140129693078 4185633 CCCN1C=C(C2=CC=CC=C21)SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 4.155 2 3 -17.2302699765801 4185459 CC1CC(CN(C1)C(=O)C2=CC3=C(O2)N=C4C=C(C=CC4=C3)OC)C 1 3.763 2 3 -4.47017319084566 4185449 CCOCCCNC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC=CC(=C3)C 1 3.102 3 2 -6.95040723223321 4185448 CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)C(=O)NCCOC 1 2.691 3 2 -4.80888311764982 4185310 COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NCC4=CN=CC=C4 1 2.434 3 3 -6.27062587692274 4185164 CC(=NNC(=O)COC1=CC=C(C=C1)C#N)C2=CC=CC=C2OC(F)F 1 3.183 3 3 -8.77500553739095 4185132 CC1=C(C(N2C(=CC(=O)NC2=O)N1)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC 1 0.865 4 7 0 -29.1479026423813 4185070 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3)OCC 1 3.482 3 5 0 -18.9426139221176 4185020 CC1=CC=C(C=C1)CN(CC2=CC=C(O2)C)C(=S)NCC(=O)O 1 3.655 2 3 -12.6435351372911 4185017 CCOC(=O)CNC(=S)N(CC1=CC=C(C=C1)C)CC2=CC=C(O2)C 1 4.23 2 3 -14.3555205831617 4185011 CCOC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CC=CC=C2F 1 4.622 2 2 -13.0590496960357 4185002 COC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)N=CC4=CC=C(C=C4)F)O 1 4.6 3 2 6.77646330405746 4185001 CC1CC(CN(C1)CCCNC(=O)C2CCCN(C2)S(=O)(=O)N3CC(CC(C3)C)C)C 1 2.089 4 3 0 -20.457575905812 4184898 CCOC(=O)CNC(=S)N(CC1=CC=CC=C1F)C2CCCCC2 1 4.896 2 2 -11.6495436203045 4184895 COC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=N2)C3=CC=C(C=C3)NS(=O)(=O)C)C4=CC=CO4 1 2.302 3 6 0 -14.1247121292707 4184866 CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)N 1 3.794 2 1 -8.38020304111236 4184856 CC1=CC(=CC=C1)OCC2=NN=C(S2)NC(=O)CC3=CC=CS3 1 3.323 3 2 -11.7721717692309 4184818 CC1=CC(=NC(=C1)NC(=O)CCC2CCCC2)C 1 3.479 2 1 -8.35726277010964 4184793 CCC(=O)NC1=NN=C(O1)C2=CC=CC=N2 1 0.735 4 2 0 -4.77222571204399 4184788 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)N4CCC5=CC=CC=C5C4 1 4.473 2 4 -12.4283079902211 4184695 CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=C(C=CC(=C1)Cl)Cl 1 1.134 2 4 0 -14.719169736459 4184674 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(O2)CN3C(=CC(=N3)C)C 1 1.91 4 3 0 -8.84390300393258 4184666 COC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3SC2=NC(=O)C4=CC=C(C=C4)Br 1 4.091 2 4 -14.3503371484737 4184652 CC1=CC(=C(C=C1)C)NC(=O)C(CCS(=O)(=O)C)NC(=O)C 1 0.778 2 4 0 -18.4024919446949 4184651 C1=CC(=CC(=C1)Cl)C(=O)NC2=NN=C(O2)C3=CC=CO3 1 2.515 3 3 -0.877840698346285 4184572 C1C2CC3CC1CC(C2)(C3)NC(=O)NCC4=CC=NC=C4 1 1.945 3 1 0 -8.09726509377655 4184560 CCCNC(=O)NNC(=O)C1=CC=C(C=C1)F 1 1.281 3 2 0 -10.1250530426543 4184538 CC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)CC(C)C 1 2.664 3 3 -8.99934588707789 4184495 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCC4(CC3)OCCO4)C(=O)NCCN(C)C 1 1.439 3 6 0 -11.7571753278514 4184394 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=CC=C4Cl 1 3.437 5 3 0 -24.3626751550961 4184357 C1=CC(=CC=C1CN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Br)C(=O)O 1 3.6 4 4 0 -29.2009856941771 4184355 CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)O)SC=C3 1 4.532 3 4 0 -29.6360636739273 4184351 C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)O)SC=C3 1 2.821 3 5 0 -33.8022867284404 4184339 C1=COC(=C1)CNC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)O)SC=C3 1 3.228 3 5 0 -31.372850370363 4184243 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NNC(=O)C 1 1.213 4 3 0 -13.1548140967654 4184230 CCOC1=CC2=C(C=C1)C(=O)NC(O2)(C3=CC=C(C=C3)C)C(F)(F)F 1 4.428 1 3 -1.76744350672727 4184226 CC1=C(C=NN1C)C=NN=C2CCC3C2(CCC4C3CCC5=C4C=CC(=C5)O)C 1 4.639 4 1 -5.01485599183315 4184146 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)N(CC=C)CC=C 1 3.623 2 3 -22.4662501410036 4184075 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)CSC 1 0.598 5 6 0 -27.6631518965829 4183640 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O 1 0.452 0 9 0 -10.9357417607232 4183606 COC1=CC=CC=C1C(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.435 2 4 -8.09012426804949 4183496 C1=CC(=NC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 4.444 5 6 0 -3.99581510784116 4183491 CCCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.514 3 5 0 -29.0752252436942 4183437 CC1=NC2=C(C(=NN2C(=C1)N3CCCCCC3)C)C4=CC=CC=C4OC 1 4.245 4 1 -4.51114400689122 4183436 CC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)CC4=CC=CC=C4)C)C5=CC=CC=C5OC 1 4.412 5 1 -0.624220182583267 4183423 CC1=CN=C(C=C1)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3=O 1 3.854 2 3 -8.24776678653421 4183387 CC1=CC(=CN=C1N2CCOCC2)[N+](=O)[O-] 1 0.829 3 3 0 -3.6647158990458 4183341 CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)OC 1 1.749 3 3 0 -20.5205660837423 4183279 C1CN(CCN1CCC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3 1 4.202 2 1 5.07834141878034 4183264 CC12CC(C3=CC=CC=C3O1)N(C(=S)N2C4=CC=C(C=C4)F)C(=O)C5=CC=CO5 1 5.553 2 3 -4.3185579885347 4183195 CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C3NC4=CC=CC=C4C(=O)N3O 1 3.875 2 5 0 -6.85716038391052 4183099 CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC 1 2.903 2 3 -12.6855967363057 4183077 C1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F 1 2.924 3 3 -6.89844753356164 4183054 C1=CC(=CC(=C1)F)CSCCC(=O)NCC2=CC=C(C=C2)F 1 3.681 1 1 -12.8399673878109 4183052 COC1=CC=CC(=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S 1 3.331 3 3 -11.3347911852211 4183002 CCCCNC(=O)OC(C)CNC(=O)OC 1 1.558 2 4 0 -12.1086840671074 4182905 CC1=CC=CC=C1NCC(=O)NN=CC2=C3C=CC=CN3C(=C2C)C(=O)C4=CC=C(C=C4)Cl 1 5.508 4 2 -8.73444633075195 4182904 CC1=CC(=CC=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4N3C 1 3.282 4 1 -1.71821163190407 4182684 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.817 5 7 0 -39.5819425462687 4182666 C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)NCC(=O)O 1 2.413 1 4 -6.18794988153694 4182451 C1CCC(CC1)NC(=S)NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCCC4 1 4.457 8 0 0 -5.14921816087986 4182430 CC1=CSC2=NC=C(C(=O)N12)C(=O)NCCC3=CC=CC=C3 1 1.468 3 2 0 -14.3656195950694 4182369 CC1CN(CC(O1)C)C(=O)COC(=O)C2=C(C=C(C=C2)F)Cl 1 2.263 1 4 -10.4888533418794 4182320 CC(C)C(=O)NC1=NC(=NS1)C2=CC=CC=C2 1 2.569 3 1 -2.05840247077451 4182319 CCCC(=O)NC1=NC(=NS1)C2=CC=CC=C2 1 2.563 3 1 -5.33797889576484 4182232 CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)Cl)C(C3=CC=CC=C3)NCC(=O)OC 1 4.622 2 3 -9.94935836825494 4182199 COC1=CC=CC=C1C(=O)NC2=NSC(=N2)C3=CC=CC=C3 1 3.372 3 2 -1.4703049950983 4182197 CC(C)(C)C(=O)NC1=NC(=NS1)C2=CC=CC=C2 1 2.986 3 1 -5.62354603211705 4182168 COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32)OC 1 2.412 3 4 0 -7.59324502466498 4182161 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC(=CC(=N4)C)C 1 1.969 5 6 0 -24.8165937734104 4182036 C1CC(OC1)CNC(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 -0.317 4 4 0 -26.6723756103619 4182022 C1CCC2=C(C1)C(=NC(=N2)SCC(=O)O)C(F)(F)F 1 3.486 2 2 -7.86666349377739 4181939 COC1=CC=CC(=C1)NC(=O)C2C(C2=C)C(=O)NC3=CC(=CC=C3)OC 1 2.07 2 4 -2.09081999576424 4181906 C1=CC(=CC=C1CNC(=O)C2=CN=C3N(C2=O)C=CS3)F 1 0.838 3 2 0 -14.8773522701331 4181893 CC1=CC(=NN1C)C2=NNC(=S)N2CC3=CC=CO3 1 2.091 5 1 -5.34010899737586 4181867 CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CN(N=C4C)C 1 4.921 4 1 -3.82438178737513 4181689 C1COCCN1NC(=O)C2=CC(=CC=C2)Cl 1 1.104 2 2 0 -5.21361383819169 4181555 CS(=O)(=O)C1=NC2=CC=CC=C2N1CC3=CC=CC=C3 1 3.202 2 2 -9.79596228718464 4181543 CC(=NNC1=CC(=C(C=C1)Cl)C(=O)O)C2=CC3=CC=CC=C3O2 1 4.318 2 3 1.76233882056972 4181516 C1COCCN1CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Cl 1 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CCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl 1 6.327 4 3 0 -6.02010897267544 4176722 CC1=NC(=NC=C1)SCC2=CN3C(=CC=CC3=N2)C 1 2.218 4 0 -6.17330039171852 4176719 CC(C)CNC(=O)COC(=O)C1=C(C=CC=C1OC)OC 1 1.904 1 5 0 -14.0788739611015 4176688 CC(=NNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2)OCO3 1 2.382 2 6 0 -12.1523792689141 4176623 CC1CC2=C(O1)C=CC3=C2OC(=O)C(=C3C)C 1 3.228 0 3 -3.83163134859326 4176555 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=C(C4=C(S3)C(=C(C=C4)OC)Cl)Cl 1 4.364 3 5 0 -17.4551484116188 4176498 CCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3 1 3.432 3 3 -11.1865412038842 4176494 CC1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3 1 3.023 3 3 -15.7228581421722 4176489 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NC4=NC5CS(=O)(=O)CC5S4 1 2.659 4 3 0 -8.41008469974067 4176470 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N3CCOCC3)C4=CC=CC=C4 1 1.859 3 3 0 -21.1056993063787 4176460 C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)NCC3=CC=CO3 1 1.619 2 4 0 -13.6429565724424 4176390 CCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4 1 3.327 1 4 -4.13810138892722 4176381 C1C2C(CS1(=O)=O)SC(=N2)NC3=CC=C(C=C3)C(=O)N(CCO)CC4=CC=CC=C4 1 2.163 3 4 0 -12.9538940622946 4176378 C1CN(CCC1C(=O)N)C(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3 1 0.593 4 4 0 -12.1344709835497 4176371 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)COC3=CC=C(C=C3)Cl 1 2.392 4 5 0 -20.1325958866599 4176358 CC(=NNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)N4CCOCC4 1 3.661 5 5 0 -7.5154581555022 4176343 COCCN1C(=O)C(SC1=NC2=CC=C(C=C2)OC)CC(=O)NC3=CC=CC=C3 1 2.96 3 4 0 -9.3334904423161 4176340 CC1=CC=CC=C1NC(=S)NN=CC(C)C2=CC=CC=C2 1 4.962 3 0 -8.65605821628943 4176332 CN1CCN(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Br 1 3.364 4 1 -4.18157292166444 4176220 C1COCCN1CCN2C(=O)C(SC2=NC3=CC=C(C=C3)OC(F)F)CC(=O)NC4=C(C=C(C=C4)F)F 1 4.151 4 4 0 -8.96541523739048 4176219 COC1=CC=CC(=C1)NC(=S)NN=C2CCCCC3=CC=CC=C32 1 5.287 3 1 -10.42323489305 4176209 CCOC(=O)N1CCN(CC1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 2.726 4 5 0 -24.8271597723875 4176165 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C)C(=O)NC5=C(C=C(C=C5)F)Cl 1 5.219 6 1 0 -7.58869216718682 4176101 CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.145 2 5 0 -8.45633137973462 4176035 CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NNC(=O)CCCC(=O)O 1 2.72 2 4 -21.77221015803 4176023 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCCO4 1 1.398 2 8 0 -29.1584405069244 4176016 C1C2=C(C=C(C=C2)N)C(=O)N1CCCCCC(=O)O 1 1.214 2 3 0 -11.5049497073411 4175928 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)NC4=CN=CC=C4 1 4.345 3 1 -4.37620523511806 4175865 CN(C)C1=CC=C(C=C1)NC(=O)C(=O)C2C3=CC=CC=C3NC2=O 1 1.618 3 3 0 -12.0700979533978 4175857 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)C4=CN=C5N(C4=O)CCS5 1 3.67 4 2 -14.4300602141604 4175833 COC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C3=CC=C(C=C3)NS(=O)(=O)C)C4=CC=CS4 1 3.157 3 4 0 -13.5652169492774 4175802 CC1=C(N(C2=CC=CC=C12)CCC#N)C 1 2.939 2 0 0.745398960700281 4175792 C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)O)SC4=CC=CC=C4C2=O 1 4.322 1 3 0.561885674619491 4175778 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CSCC(=O)N3CCC(CC3)C(=O)N 1 1.268 3 5 0 -1.63264735543354 4175724 CC1CC(CN(C1)C(=S)NC2=CC=C(C=C2)SC(F)F)C 1 5.967 2 0 -11.8685320249331 4175708 CC(=NNC(=O)COC1=CC=C(C=C1)C(C)(C)C)C2=CC=C(C=C2)N3C=CN=C3 1 3.569 4 2 -4.17080071271638 4175707 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4=CC=NC=C4 1 2.616 3 3 -17.7611807304666 4175693 CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)NCC3CCCO3 1 2.312 2 4 -5.68465562555981 4175631 CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3CCCO3 1 2.435 3 3 -23.2249808769531 4175604 COCCNC(=S)NN=C1CCCCCC1 1 2.281 3 1 -15.83755895302 4175602 C1CC1C(=O)NN=C(CC2=CC=CC=C2)CC3=CC=CC=C3 1 3.481 2 1 -6.8757791217552 4175595 CC1=CC=CC=C1N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5 1 2.721 3 5 0 -12.0808392223535 4175552 CC1=CC(=NC(=C1C#N)SCC2=CN3C=CC=CC3=N2)C 1 2.947 4 0 -9.773461733443 4175484 CC(COC)N1CC(=O)C(=C1N)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 2.715 3 2 -1.75597389800296 4175475 CC1=CC=C(C=C1)C2=NC(=NO2)C(=O)NC3CCCCCC3 1 3.635 3 2 -1.70877276713895 4175459 CC1=CC=C(C=C1)NC(=S)N(CC2=CC=CO2)C3CCN(CC3)C(C)C 1 5.136 3 1 -9.69444702848471 4175398 C1CCC(C1)CCC(=O)C2=C(OC3=CC=CC=C3C2=O)O 1 3.889 0 4 -2.45959886355399 4175316 CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC=NN2)[N+](=O)[O-] 1 1.536 5 4 0 -16.0018775810888 4175307 CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.418 5 1 -6.9870509793266 4175304 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NNC(=O)C2CC2 1 1.971 4 3 0 -16.0519347480814 4175295 CC1=CC(=CC=C1)NC(=S)NCC2=CC3=C(C=C2)NC4=C3CCCC4 1 6.258 3 0 3.95831773107409e-002 4175212 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)CCC3=O 1 1.48 3 3 0 -6.33009454201254 4175200 CCOC1(C(C(C1(OCC)OCC)(C#N)C#N)C2=CC=C(C=C2)N)OCC 1 1.724 3 4 0 -0.563988170708516 4175133 C1CCC(CC1)C=NNC(=O)C2=CC=CC=N2 1 2.315 3 1 -7.86487830710184 4174965 CC1=NC(=CC=C1)NC(=O)C2=C(N=CC=C2)Cl 1 2.008 3 1 -1.25412043238581 4174927 CC1=CC(=C(C(=C1)C)NC(=S)N(CC2=CN=CC=C2)CC3=CC=CO3)C 1 5.705 3 1 -12.4155752317539 4174860 CN1CCN(CC1)C(C2=C(C=C(C=C2)Cl)Cl)C3=CC(=C4C=CC=NC4=C3O)Cl 1 5.41 3 1 6.84057805753311 4174847 CC(=O)N1CCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CC1 1 -0.197 5 5 0 -14.783839139003 4174829 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=N 1 2.662 3 2 -17.8319754474213 4174753 CN1C=C(C(=N1)C(=O)N(C)C23CC4CC(C2)CC(C4)C3)Br 1 3.213 3 1 -1.49754429166543 4174561 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] 1 2.38 4 5 0 -8.16779791287381 4174543 CC(=NNC(=O)C1=CC=CS1)C2=CC3=C(C=C2)OCO3 1 2.385 2 3 -9.04778094676235 4174466 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN5C(=NC6=CC=CC=C6C5=O)C=C4 1 2.02 4 4 0 -11.5334015489435 4174427 CC(=NNC(=O)C1=CC=C(C=C1)O)C2=CC=C(C=C2)N3CCOCC3 1 2.271 3 3 -5.89136133788099 4174359 CC1=C(C=C(C=C1)N2C(=O)C3CCCN3C2=S)Cl 1 3.998 2 1 -1.59576247789262 4174292 CCC1=CC=CC=C1NC(=O)C2=CN=C3N(C2=O)C(=CS3)C 1 2.082 3 2 -13.074070682285 4174239 CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)NC3CCCC4=CC=CC=C34 1 4.553 2 3 -0.268687871824655 4174238 CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)NC3CC3 1 2.443 2 3 -0.894335703059931 4174210 CC1CC(=NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)CC(C1)(C)C 1 4.354 3 3 -11.8974236454992 4174193 CCNC(=S)NN=C(C)C1=C(C2=CC=CC=C2C=C1)OC(F)F 1 4.274 3 1 -4.6511518676078 4174169 CCN1C(=NN=C1SC)CNC(=O)C2=CC=C(C=C2)OC 1 1.8 4 2 0 -13.6930122653752 4174139 CC1=CC=C(C=C1)C2C=NN(C2=O)C3=CC=CC=C3 1 3.025 2 1 0.181484183682633 4174075 C1=CC(=CC(=C1)N)N2C(=C(N=N2)C(=O)N)SC3=C(N=NS3)C(=O)N 1 0.616 8 2 0 -7.63695836656156 4174058 CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC=CC=C2OC 1 3.779 3 1 -11.3708680790565 4174023 C1COCCN1C(CNC(=O)C2=CC=CO2)C3=CC=CS3 1 1.718 2 3 0 -11.7665779184354 4173905 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCCN(C)CC2=CC=CC=C2 1 2.879 2 3 -11.4184187905191 4173895 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(N(N=C3)C)C)C(=O)OC 1 1.363 3 3 0 -34.6766006818483 4173883 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br 1 4.32 3 5 0 -15.1504717675086 4173882 CC1=C(C=C(C=C1)S(=O)(=O)NC2CCCC3=CC=CC=C23)C 1 4.312 1 2 -5.38574232884329 4173872 CC(C)OC(=O)N1C2=CC=CC=C2OC1=S 1 3.598 1 3 2.14732699077123 4173857 CCOC1=C(C=CC=N1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-] 1 2.884 2 5 0 -10.9940406381194 4173778 C1=CC=C(C=C1)CC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.49 3 2 -3.83865055771712 4173716 CC(C)CCC(=NNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCOCC3)C 1 2.878 5 4 0 -23.9410798256188 4173715 CC1(C2CCC1(C(=NNC(=O)COC3=CC=CC=C3Cl)C2)C)C 1 3.669 2 2 -4.2485294803105 4173677 CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br 1 4.516 4 3 0 -11.4915228101504 4173671 C1CC(=NNC(=O)C(=O)N)C2=CC=CC=C21 1 0.473 3 2 0 -6.81285890709201 4173597 C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=CC=CC=[N+]4[O-] 1 3.053 1 2 -1.55335158649858 4173595 CC1CCC(C(C1)OC(=O)CSC2=NC=CC(=O)N2)C(C)C 1 3.298 2 3 -9.00305862370634 4173573 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4CCOCC4)C(=S)N 1 0.251 6 2 0 -20.1797735227571 4173521 CC1=CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=NOC(=C5)C 1 2.056 3 4 0 -13.6159748888085 4173507 CC1=C(C=C(C=C1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C)C 1 2.841 3 2 -10.4440134353924 4173505 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC(=C(C=C3)Cl)Cl 1 3.197 3 2 -9.05716453409718 4173504 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CC=C3OC 1 1.852 3 3 0 -12.1779968781196 4173503 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(N=CC=C3)Cl 1 1.591 4 2 0 -8.14978033983243 4173461 CC1=CC=C(C=C1)C(C[N+](=O)[O-])N2C(=CC(=N2)C)C 1 3.116 3 2 -2.45867006097259 4173242 C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N 1 2.286 3 4 0 -21.2715581978444 4173214 CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C(C)(C(F)(F)F)O)N 1 2.839 3 1 -0.892840709649402 4173195 C1C2=C(N(N=C2CS1(=O)=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4C(F)(F)F 1 3.409 3 3 -5.61257997428945 4173143 CC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N3CCCCC3 1 3.904 2 1 -9.49977639855244 4173107 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)NC(=O)C4=CC=C(C=C4)F 1 3.141 3 5 0 -7.40223683629156 4173051 CC1(C2CCC1(C(=O)N(C2=O)NC(=O)C3=CN=CC=C3)C)C 1 0.981 3 3 0 -11.2833530997111 4173036 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3)OC 1 1.829 4 5 0 -27.1841136629435 4172802 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl 1 2.549 2 8 0 -24.6914122099332 4172730 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)COC2=CC=C(C=C2)Br 1 2.022 2 6 0 -15.8040506269379 4172685 C1=COC(=C1)C=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 3.812 2 3 -6.45270908642889 4172677 CC(C)(C)C1CCC(=NNC(=S)NC2=CC(=CC=C2)OC)CC1 1 4.96 3 1 -11.7965024066321 4172618 CC1=C(SC=C1)C2NC3=CC=CC=C3C(=O)N2O 1 2.906 2 2 -4.36013277038436 4172596 CC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 1.823 3 2 0 -8.09516609634847 4172489 C1=CC=C(C(=C1)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC=CC=N3)Cl 1 2.177 2 4 -2.85438918574283 4172399 C1=CC=C(C(=C1)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC=CC=N3)F 1 1.718 2 4 0 -2.33677648311744 4172397 C1=CC=NC(=C1)NC(C2=CC(=CC=C2)F)C3=C(C(=O)C=C(O3)CO)O 1 1.718 2 4 0 -0.92379792258192 4172393 C1=CC=NC(=C1)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC=CC(=C3)C(F)(F)F 1 2.237 2 4 -0.338231334787508 4172375 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)N=CC3C(=O)CC(CC3=O)(C)C 1 4.493 1 4 -3.17499650961103 4172178 CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(S3)NC4=CC=C(C=C4)OC 1 5.611 4 2 -12.6537977876655 4172114 CC(C)C(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=CC=C3OC)OC)OC 1 3.979 1 5 -17.6936260818616 4172088 C1C(=O)N(C2=C3C=CC=CC3=NC2=CN1O)C4=CC=C(C=C4)[N+](=O)[O-] 1 0.552 4 4 0 -8.35894442985773 4172058 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 0.654 2 4 0 -14.0747158413136 4171922 CCOC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2CCCCC2 1 3.151 2 3 -5.27422075234748 4171967 C1CN(C2=CC=CC=C21)C(=O)CN3C=NC4=CC=CC=C43 1 2.468 3 1 -13.5749921575051 4171882 COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])OC 1 4.709 4 5 0 -14.3521356668462 4171846 CC1=C(C(=NC2=C(C=NN12)C(=O)N3CCC4(CC3)OCCO4)C)CC5=CC(=CC=C5)Cl 1 2.786 4 3 0 -16.2388956594902 4171819 CC(=NNC(=O)C1=CC=CC=C1)CCC2=CC3=C(C=C2)OCO3 1 2.913 2 3 -8.45058235308294 4171781 CC(=NNC(=S)NCC=C)C1=CC=C(C=C1)N2C=CN=C2 1 2.498 5 0 -12.2501713576569 4171773 CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)C)S(=O)(=O)N3CCCCC3 1 2.124 4 4 0 -30.8612215938317 4171762 C1CC(OC1)CNC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 1.378 2 6 0 -19.874005135175 4171689 CCOC1=CC=C(C=C1)NC(C2=CC=CC=N2)C3=C(C(=O)C=C(O3)CO)O 1 1.627 2 5 0 -5.62894405855745 4171685 CC1=CC=C(S1)C(=O)NCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.046 2 4 -15.7003545377038 4171551 CC1=C(C=CO1)C(=O)NN2C(=O)C3C4CCC(C3C2=O)O4 1 -0.476 2 5 0 -5.07070907066918 4171474 C1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=CC=C4F 1 4.093 1 4 -7.34950596746786 4171405 C1C2CC(C1C=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3 1 2.343 1 3 -7.34824737078639 4171370 CCCCC(=O)NN=CC1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-] 1 2.342 4 4 0 -11.6818467197015 4171355 CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C3NC4=CC=CC=C4C(=O)N3O 1 4.052 3 5 0 -2.87144614020549 4171337 CC(=NN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)O)OC)C4=CC=C(C=C4)OC 1 4.005 3 4 0 -4.16960299335546 4171316 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3(CC3(Br)Br)C 1 3.743 2 2 -3.42411077145514 4171246 CCCC1CCC(=NNC(=S)NCCC2=CC=CC=C2)CC1 1 5.025 3 0 -13.4724027409362 4171200 CC(=O)C(C(=O)NC1=CC=CC=C1)(N=NC2=CC=CC=C2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5 1 7.249 6 2 0 -0.802742246685031 4171171 CC(C)(C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4 1 3.87 2 3 -11.1044443647905 4171033 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C 1 2.66 2 4 -23.0411881766959 4171028 CC1CC(=NNC(=S)NC(C)C)CC(C1)(C)C 1 3.392 3 0 -16.3038115443954 4171015 C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)N4CCOCC4 1 1.749 4 3 0 -17.395140830882 4170858 CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC=CO3 1 1.281 2 6 0 -24.3148207743681 4170843 C1C2=C(N(N=C2CS1=O)C3=CC=CC=C3)NC(=O)C4=CC=C(O4)Br 1 2.334 3 3 -4.89899158437096 4170820 CC(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)SC3=NCCS3 1 4.127 4 1 -12.027257075873 4170805 CCC1=CC=C(C=C1)NC(=O)CC(=NNC(=O)OCC2=CC=C(C=C2)OC)C 1 3.443 3 4 0 -7.35306282300088 4170796 CC1=C(C(=NN1CC(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])Cl 1 2.926 4 3 0 -10.9966026390586 4170720 COC1=CC=C(C=C1)NCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3 1 2.845 5 4 0 -7.57246811593554 4170685 COC1=CC=CC(=C1)C2CC3C(=O)C=CC2N3CC4=CC=CC=C4 1 3.813 1 2 0.779825939763659 4170622 C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)SC3=CC=CC=[N+]3[O-] 1 4.878 2 2 -4.65807544849757 4170573 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CN(CC4)C)C(=O)NC 1 2.247 4 4 0 -26.6567290506757 4170558 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C=C(C=C3Br)F)F 1 3.402 3 3 -15.6530740204647 4170549 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=C(C=C(C=C4Br)F)F 1 4.114 4 3 0 -13.6451748523102 4170532 COC1=CC=CC=C1CNC(=O)CC23CC4CC(C2)CC(C4)(C3)Br 1 3.664 1 2 -11.5772686783282 4170493 C1=CC(=CC=C1C(=O)NCCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.399 4 8 0 -23.2465150941998 4170459 CCSC1=NCCN1C(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 3.868 3 2 -11.1082268703845 4170435 C1CC(CCC1CN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl)C(=O)O 1 3.676 4 4 0 -33.93412852418 4170433 C1CC(CCC1CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=C(C=C4)Cl)C(=O)O 1 5.483 2 4 -23.334555993625 4170428 CCC(C)NC(=O)CSC1=NC2=C(C(=O)N1NC(=O)C3=CC=CC=C3)SC=C2 1 3.333 4 3 0 -33.6612515972255 4170377 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=C(S3)N 1 0.568 5 4 0 -29.7291784930657 4170344 CN(C)C(=O)C1=CC=C(O1)COC2=CC=CC=C2OC 1 2.267 1 4 -9.66691699856994 4170327 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CCCC4 1 4.571 3 1 -8.0879853370375 4170205 CC1=NN=C(S1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)F 1 2.159 5 1 -12.9982224374808 4170121 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC(=O)OCC 1 2.965 4 5 0 -23.5657678049701 4170119 C1=CC=C(C=C1)CSC2=NC(=CN=C2)C(=O)O 1 2.251 2 2 -7.3564175956475 4170002 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 4.101 3 3 -19.8182169983398 4169927 CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=NN(C=C3[N+](=O)[O-])C 1 3.276 6 3 0 -8.66180958267378 4169834 CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)C(=O)N1CC=C 1 2.882 3 5 0 -33.0709372149382 4169730 C1=CC=C(C(=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CS3)Cl)Cl 1 4.384 2 3 -7.11618402382931 4169697 COC1=CC(=C(C=C1)C2NC3=CC=CC=C3C(=O)N2NS(=O)(=O)C4=CC=CC=C4)OC 1 3.158 3 5 0 -10.6714649779047 4169684 C1=CC(=CN=C1)CNC(=O)C2=CC=CN3C2=NC4=C(C3=O)SC=C4 1 0.892 4 2 0 -23.5773214268074 4169670 CCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)CSC(=O)C 1 2.746 2 3 -5.42292543218648 4169669 CCC(CC)C(=O)NCCC1=CC2=CC(=C(C=C2NC1=O)C)C 1 3.675 2 2 -12.1863896786192 4169668 CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)C#N)C3=CC=CC=N3 1 2.515 5 1 -10.5712697011392 4169512 CCOC1=CC2=C(C=C1)C(=O)NC(O2)(C3=CC=CC=C3)C(F)(F)F 1 3.941 1 3 -2.87761361637344 4169441 CC1CC(=NNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC(C1)(C)C 1 2.413 3 4 0 -28.8399920411183 4169369 CC(C)C1=CC=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32 1 2.958 3 2 -10.8300617054058 4169289 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=C(C=C3)C)CN(C)C 1 5.254 2 3 2.38151873074554 4169272 CC1(CC1(Cl)Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)C(C)(C)C 1 3.47 1 3 -2.03996772708818 4169250 CC1=CC(=NC2=NC(=CN12)COC3=CC=C(C=C3)OC)C 1 2.516 3 2 -3.3795243507765 4169248 CC1=CC=C(C=C1)CCCOC(=O)CN2CCCCC2 1 3.791 1 2 -2.26979398755244 4169206 C1C(N(N=C1C2=CC=CC3=CC=CC=C32)C(=O)CN4C5C(C(=O)N(C5=O)C6=CC=CC=C6)N=N4)C7=CC=CC=C7 1 4.385 6 3 0 -5.02391580103943 4169205 CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)C(=O)NN 1 0.214 6 1 0 -4.19863773526818 4169044 C1CN(C(=O)N1CC2=CC=CC=C2F)CC(=O)O 1 0.87 2 3 0 -10.0067200398929 4168955 C1CN(C(=O)N1CC2=CC(=CC=C2)Cl)CC(=O)O 1 1.329 2 3 0 -6.75905311623647 4168948 C1CN(C(=O)N1)CC2=CC=C(C=C2)F 1 1.183 2 1 0 -9.39685305646915 4168947 CN1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])C3=CC=CC=C3 1 4.046 2 2 -3.27277001391084 4168926 CC1=CC(=C(C=C1)C)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCCN4CCOCC4 1 2.974 3 3 -14.2534376242619 4168898 CSC1=NCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.113 3 4 0 -22.9090870137935 4168761 CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)C(C)C)N4CCN(CC4)CCO)O 1 3.092 5 2 0 3.61687747540434e-002 4168758 CC(C(=O)N1CCN=C1SCC2=CC(=CC=C2)F)OC3=CC=CC=C3 1 4.417 2 2 -12.6234584513814 4168757 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 1.508 4 6 0 -25.4808256285577 4168591 CCOC(=O)C1=C(OC(=C(C1C2=CC=NC=C2)C#N)N)CSC3=NC4=C(CN(CC4)C)C=C3C#N 1 2.212 6 3 0 -19.3119027985533 4168572 CC(=NNC(=O)C1=CC=CO1)C2=CC3=CC=CC=C3O2 1 2.654 2 3 -1.23048560068463 4168535 C1=CC2=NC(=CN2C=C1)CSC3=NN=C(N3N)C4=CC=NC=C4 1 1.099 7 0 0 -6.96369284173069 4168533 CC(=NNC(=O)CN1C=CC(=N1)C(F)(F)F)C2=CC=CO2 1 1.931 4 2 0 -7.75988071459329 4168532 CC(=NNC1=NC2=CC=CC=C2S1)C3=CC4=C(C=C3)OCO4 1 3.185 3 2 0.358637617032425 4168447 C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=C(SC(=C3)Cl)Cl 1 4.138 2 1 -1.49823112011245 4168396 COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=O)C3=CC=CS3 1 2.246 2 4 -13.9404140258355 4168394 C1CN(C(=O)C2=C1C(=CC=C2)OCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CC6=CN=CC=C6 1 4.332 4 3 0 -10.9680738140695 4168236 CC1=C(C=CC(=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CO3)Cl 1 4.852 3 2 -9.18198357630938 4168230 CC1=C(C=CC(=C1)NC(=S)N(CCN2CCCCC2)CC3=CC=CO3)Cl 1 6.02 3 1 -7.59714818716367 4168223 CC1=C(C=CC(=C1)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CO3)Cl 1 5.122 4 1 -4.78900227503247 4168101 C1CCC(CC1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 5.445 1 3 -9.98127166521641 4168005 CC(C1CC2CCC1C2)NC(=O)C3=C(C=C(C=C3)F)Cl 1 4.15 1 1 -3.41332661912119 4168044 C=CCNC(=S)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 1.931 4 3 0 -14.1367833466203 4168029 CC1=C(C=C(C=C1)N2C(=O)CN(C2=S)CC3=CC(=C(C(=C3)OC)OC)OC)Cl 1 4.936 2 4 -9.39449627093033 4168027 CC1=C(C=CC=C1Cl)N2C(=O)CN(C2=S)CC3=CC(=C(C(=C3)OC)OC)OC 1 4.936 2 4 -6.99411000274154 4168026 CC1=C(C=C(C=C1)N2C(=O)CN(C2=S)CC3=CC(=C(C(=C3)OC)OC)OC)C 1 4.758 2 4 -9.4596341301448 4168025 CC1=CC=C(C=C1)N2C(=O)CN(C2=S)CC3=CC(=C(C(=C3)OC)OC)OC 1 4.272 2 4 -9.43457568165373 4168024 COC1=CC=C(C=C1)N2C(=O)CN(C2=S)CC3=CC(=C(C(=C3)OC)OC)OC 1 3.769 2 5 0 -9.67876904188843 4168023 COC1=CC=CC(=C1)N2C(=O)CN(C2=S)CC3=CC(=C(C(=C3)OC)OC)OC 1 3.769 2 5 0 -9.13215184515267 4167948 CC(CNC(=O)C1=CC=C(C=C1)C#N)NC(=O)C2=CC=C(C=C2)C#N 1 2.03 4 2 -14.06811535456 4167927 CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)S2)CC=C 1 3.128 4 4 0 -29.3333377058865 4167905 CCOC(=O)CN(CC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=C(C=C2)OC 1 2.537 1 7 0 -17.2991277858012 4167847 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC3=C2CCN(C3=O)CC4=CC=CC(=C4)C 1 2.846 3 5 0 -10.7875290420877 4167844 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4C5=CC=C(C=C5)F)SCC(=O)NC6=CC=C(C=C6)F 1 4.983 5 2 0 -18.87343626915 4167802 CC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)NCC5CCCO5 1 4.878 3 3 -21.294416360819 4167744 C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC5=CC=CC=C53 1 4.391 3 3 -22.277644262611 4167655 C1CCC(C1)NCC2=CN3C(=NN=C3S2)C4=CC=C(C=C4)Br 1 3.742 4 0 4.34426377680069 4167592 CCOC1=CC=C(C=C1)CC(=O)N2C(CC(=N2)C)(C(F)(F)F)O 1 2.143 2 3 -3.41570480009956 4167576 CC1=C(C(=C(S1)NC(=O)CCCC(=O)O)C(=O)N)C2=CC=CC=C2 1 1.704 2 4 0 -14.6912788040764 4167575 C1CC2C3C(C1O2)C(=O)N(C3=O)NC(=O)C4=CC=C(O4)Br 1 0.238 2 5 0 -6.79178192780143 4167531 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC2CCCCCCC2 1 2.636 2 4 -15.0326826886374 4167452 C1C(=S)N(C(O1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.013 1 1 -1.87032016372902 4167327 CCOC(=O)C1=C(N(C(=NC(=O)C2CC2)S1)C)C 1 1.752 2 3 0 -11.7761665495566 4167318 C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCC4=CC=CO4 1 3.698 3 3 -13.1143002910723 4167316 CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4CCCO4 1 4.029 3 5 0 -26.6543194105361 4167217 CC(C(=O)N1CCN=C1SC)OC2=CC=CC=C2 1 2.628 2 2 -9.43132155300053 4167216 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)NCCC3=CC=CC=C3 1 2.187 4 6 0 -27.9512406577772 4166805 CCNC1=NC(=NC(=N1)C(=O)OCCO)NCC 1 -0.225 5 3 0 -7.01439874453246 4166761 CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C)SC(C3)C 1 1.764 3 2 0 -18.5138086660468 4166656 CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 3.407 2 6 0 -7.23513007377399 4166655 CC(=O)N1C(OC(=N1)C2=CC=C(C=C2)Br)(C)CC(=O)NC3=CC=CC=C3 1 2.911 3 3 -8.93667442322015 4166562 COC1=CC(=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC 1 1.288 4 6 0 -25.8297966046751 4166432 CCC(=O)NC1=C(C=CC(=C1)C(=O)O)SC2=CC=C(C=C2)Cl 1 4.029 1 3 -1.97641913913196 4166427 CC1CCCC(C1C)N2C=NC3=C2C=CC(=C3)C(=O)O 1 3.61 2 2 -4.73186797774367 4166421 CCN1C=C(C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C=O 1 1.242 2 4 0 -17.563802387461 4166352 C1=CC=NC(=C1)CNC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.923 3 1 -5.99252027857075 4166286 CC1CCC2=C(C1)SC=C2C(=O)NNC(=S)NCC(C)C 1 3.908 3 1 -13.7506791253768 4166285 CC1=C(CC(C(C1)C(=O)NC2=NC(=C(S2)C)C3=C(C=C(C=C3)C)C)C(=O)O)C 1 4.771 2 3 -3.63479329808355 4166205 C1CC(OC1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.237 2 4 -18.2101638430881 4166157 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)NN=CC3=CC=CO3 1 1.172 4 5 0 -27.028587950694 4166083 C1CCC(CC1)NC(=S)NN=C2CCC3=CC=CC=C32 1 4.395 3 0 -10.114267021295 4166081 C1CN(CCC1CC2=CC=CC=C2)CC(COC3=C(C=C(C=C3)F)Cl)O 1 4.968 1 2 0.64070606986946 4166035 C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC(=CC=C4)Cl 1 2.728 3 3 -12.801693824589 4165797 CN1C2=C(CSCC2)C(=O)N1C3=CC=CC=C3 1 1.259 2 1 0 -8.04269706081073 4165758 CC1=C(C(=NN1C)C)C=NN=C2CCC3C2(CCC4C3CCC5=C4C=CC(=C5)O)C 1 4.922 4 1 -5.70949139631955 4165757 CC1CN(CC(O1)C)C(=O)C2(CC2(Br)Br)C 1 1.857 1 2 0 -8.06648798461393 4165725 CC1(C2(CCC1(C(C2=O)Br)C(=O)NC3=CC(=CC=C3)Cl)C)C 1 3.941 1 2 -3.74792604591464 4165663 CN(C)C=NC1=NC(=CS1)C2=CC3=CC=CC=C3C=C2 1 3.19 3 0 13.1878384651935 4165616 CC(=NNC(=O)C1(CC1(Br)Br)C)C2=CC(=CC=C2)NC(=O)C(C)(C)C 1 3.501 3 2 -14.9679887727261 4165513 CSCCC(C(=O)O)N=C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2 1 2.743 2 4 -13.6260958203409 4165441 CCN1CCN(CC1)C(=O)C2=C(C3=C(N=CN=C3S2)N4CCC5=CC=CC=C5C4)C 1 3.969 5 1 -11.8851236497301 4165427 CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(COC3=CC=C(C=C3)Cl)O 1 2.465 4 4 0 -2.32325199797324 4165403 CC(C)(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5 1 2.039 8 3 0 -16.966675900167 4165402 COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4CCCCN4C3=O 1 2.698 4 3 0 -1.39451293426511 4165375 CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NC2=CC=C(C=C2)F)C 1 3.247 2 3 -6.1965332752248 4165367 CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCCC2=CC=CC=C2)C 1 3.369 2 3 -9.23892892612599 4165270 CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCC2=CC=CO2)C 1 2.23 2 4 -11.3025182560935 4165166 CC1CC(=O)C2=CC(=C(C=C2S1)OC)OC 1 2.39 0 3 -6.54777387384064 4165147 C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)N 1 2.411 3 5 0 -9.95180440257155 4164976 C1=CC=C(C=C1)C2=NN=C(N(C2C3=C(C=C(C=C3)O)O)O)C4=CC=C(C=C4)Cl 1 4.522 3 3 6.79339314624582 4164977 COC1=CC=C(C=C1)OCC(=O)NN=C2C(=CC3=C(O2)C(=CC=C3)OC)C(=O)N 1 1.758 3 6 0 -7.48457920703108 4164982 COC1=C(C=C(C=C1)CN2CC(=O)N(C2=S)C3=CC(=CC=C3)Cl)OC 1 4.466 2 3 -5.29460513334747 4164929 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)COC2=CC=C(C=C2)OC 1 1.595 2 4 0 -1.00822963019762 4164890 C1=CC=C(C=C1)CNC(C2=CC=CC=C2)C(C(=O)O)(F)F 1 0.461 1 2 0 -2.83254649236584 4164885 CC(C1=CC=CO1)N(C2=CC=CC=N2)C(=O)C34CC5CC(C3)CC(C5)(C4)C 1 4.556 2 2 -5.27966045001881 4164884 CC(C)OP(=O)(C(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Br)OC(C)C 1 4.336 1 4 -11.3479062533746 4164881 COC1=CC=CC2=C1OC(=NNC(=O)COC3=CC=C(C=C3)Cl)C(=C2)C(=O)N 1 2.439 3 5 0 -5.20206763637495 4164763 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3Cl)CC4CCCO4 1 3.751 3 5 0 -26.4142170033309 4164523 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CN=C(C=N2)C)S(=O)(=O)N3CCCCCC3 1 1.708 4 5 0 -25.8560315192391 4164459 C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=CC=C3C(=O)N 1 2.433 3 2 -7.46454180302915 4164429 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)N3CCCC4=CC=CC=C43 1 3.051 3 2 -19.0425067133786 4164401 COC1=CC=CC(=C1)NC(=S)N(CC2=CC=CC=C2Cl)CC3=CC=CC=N3 1 5.927 3 1 -7.03317629891172 4164400 COC1=C(C=C(C=C1)CCN(CC2=CC=CC=N2)C(=S)NC3=CC(=CC=C3)OC)OC 1 5.551 3 3 -11.5766024646014 4164379 CC1CCCN(C1)C(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.494 3 3 0 -18.0512231704418 4164310 CCOC(=O)C(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)F 1 2.329 4 3 0 -7.47249320669217 4164306 COC1=CC=CC(=C1)NC(=S)N(CCN2CCCCC2)CC3=CC=CO3 1 4.853 3 2 -8.66014719106129 4164166 CC1C(NC(CC1=NO)C2=C(C=CC(=C2)OC)OC)C3=C(C=CC(=C3)OC)OC 1 3.237 2 5 0 2.32374069591434 4164130 COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)OC)S2)CC(=O)OC 1 3.487 2 5 0 -10.6687258970402 4164068 CC1=C(C=C(C=C1)NC(=O)CNCC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)N(C)C 1 2.936 3 3 -8.5182288618379 4164065 CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=C(C=CC(=C2)F)F 1 4.18 3 2 3.50244615145137 4164035 CCN(C1=NS(=O)(=O)C2=CC=CC=C21)N(CC)S(=O)(=O)C3=CC=C(C=C3)C 1 2.752 3 4 0 -6.00333557966623 4164030 C1COCCN1C2=C(N=C(O2)C3=C(C=C(C=C3)Cl)Cl)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5 1 6.642 2 3 0.165511376611359 4164018 CC1=C(C(=CC=C1)NC(=O)CCC(=O)NN=CC2=CC=CO2)C 1 2.386 3 3 -8.17775855948891 4163821 CCCCNC(=S)NNC(=O)CCN1C=C(C=N1)C 1 1.984 5 1 0 -18.3231889566645 4163759 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)CCC3CCCCC3 1 4.233 2 5 0 -13.1561935772206 4163752 C1CN(C(=N1)SCC2=CN=CC=C2)C(=O)C3=CC(=CC=C3)F 1 2.946 3 1 -11.2281543631798 4163740 CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 4.192 1 6 0 -8.15262024632509 4163722 CCOC1=CC=CC=C1C=NNC(=O)CNC(=O)C2=CC=CS2 1 2.028 3 3 -14.1195389932389 4163673 CC1=C(C(C(=C(O1)N)C#N)C2=CN=CC(=C2)C3=CC=C(C=C3)F)C(=O)OC(C)C 1 2.914 3 3 -8.05257479986359 4163660 CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC)C(=O)N3CCOCC3 1 1.583 3 3 0 -27.1873115218177 4163626 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3 1 4.488 1 3 -7.36437627730552 4163564 CC1=CC=C(C=C1)C(C)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C 1 2.309 4 3 0 -13.0135833274975 4163484 CC1=NC2=C(C(=N1)SCC(=O)NCC3=CC=C(C=C3)F)C(=O)N(C(=O)N2C)C 1 1.622 5 3 0 -23.3095581268387 4163429 CC(C(=O)NC1=NN=CS1)N2C(=O)C3C4CC(C3C2=O)C=C4 1 -0.295 4 3 0 -10.9293084456053 4163426 CCCN(CCC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3COC4=CC=CC=C4O3 1 4.71 3 4 0 -23.9435717263676 4163417 CCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-] 1 3.684 4 3 0 -12.8386782038166 4163388 CCC(=O)NCCCCCCCCCNC(=O)CC 1 2.823 2 2 -10.0445341339815 4163344 C1CCN(CC1)C2CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S 1 4.195 4 2 -11.2327721138457 4163325 CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3CC 1 3.77 5 2 0 -15.3431063652022 4163317 CN(C)C=NC1=C(SC2=NC=CC(=C12)N(C)C)C(=O)C3=CC=CC=C3 1 3.106 4 1 -6.79311028401739 4163284 CC(=O)NCCC1=CC2=C(C=CC(=C2NC1=O)OC)OC 1 0.628 2 4 0 -11.7694086526075 4163226 C1CC2CC1CC2C=NNC(=O)C3=CC4=C(C=C3)OCO4 1 2.481 2 3 -4.88878098283634 4162937 CC1(CC(=C(C(=O)C1)C(=O)CC2=CC=CC=C2)NCCC3=CC=CC=C3)C 1 4.143 1 2 -10.2859059766192 4162905 C1=CC=C(C=C1)N2C(=NNC2=S)CNC(=O)C3=CC=CS3 1 2.691 4 1 -12.9776626065789 4162904 COC1=CC=CC=C1C2N(CCS2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.337 2 4 -14.8378571086573 4162891 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC 1 4.516 3 4 0 -4.15507298446213 4162844 C1C2=C(N(N=C2CS1)C3=CC=CC=C3)NC(=O)CBr 1 2.495 3 1 -0.777932462028813 4162857 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.085 3 8 0 -26.8936202693654 4162856 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C)S(=O)(=O)N4CCOCC4 1 2.56 4 4 0 -21.4252473211785 4162790 CC1=C(C=C(C=C1)C(=O)NCC(C)NC(=O)C2=CC(=C(C=C2)C)C)C 1 4.217 2 2 -11.3656641032558 4162755 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NNC(=N3)N 1 1.548 6 1 0 -4.04378739769826 4162720 C1C(=O)N(C(S1)C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)O 1 2.869 1 3 -15.5288286145418 4162672 COC1=C(C=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5)OC 1 4.185 5 5 0 -23.426431596956 4162643 CC1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)N(C(=O)N3C)C)N)C#N 1 1.559 4 3 0 -15.4905200517136 4162626 C1CCC(C1)N2C=NC3=C2C=CC(=C3)C(=O)O 1 2.583 2 2 -6.40750513917241 4162556 COC1=CC=CC=C1C(=O)OCC(=O)NC2CCCC2 1 2.13 1 4 -12.0662724822804 4162555 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2)C3=CC=CS3 1 2.195 3 3 -23.8902183650113 4162554 CN(CCCC(=O)O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-] 1 4.306 4 4 0 -3.96012386572461 4162507 C1CC(OC1)CNC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CS4 1 3.099 3 3 -24.4221129450235 4162506 CC1=CC2=CC=CC=C2N1CCNC(=O)C(C)(C)C 1 3.213 2 1 -14.2676379698984 4162505 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)CCC5=CC=CC=C5 1 4.129 4 2 -14.0656173046 4162445 CCOC(=O)CNC(=O)C1=C(C2=C(N=CN=C2S1)N3CCC4=CC=CC=C4C3)C 1 3.513 4 3 0 -18.2354364446306 4162441 CC1=C(SC2=NC=NC(=C12)N3CCC4=CC=CC=C4C3)C(=O)NCCCOC 1 3.388 4 2 -17.2028574372896 4162440 CCCCNC(=O)C1=C(C2=C(N=CN=C2S1)N3CCC4=CC=CC=C4C3)C 1 4.786 4 1 -15.8538189580662 4162424 C1=CC=C(C=C1)C2=NC3=CC=CC=C3SC2C4=NC5=CC=CC=C5N4 1 5.275 3 0 -3.57417144952874 4162397 CC(=O)NC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)F 1 2.382 3 1 -2.32509566969963 4162362 C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N 1 2.986 3 5 0 -7.48516916721954 4162291 COC1=C(C=C(C=C1)C(=O)NN=C2CCC3=CC=CC=C32)OC 1 2.956 2 3 -11.712842985049 4162281 CC1=CC(=CC(=C1)NC(=S)NC2=C(SC=C2)C(=O)OC)C 1 5.148 2 2 -9.71859842167355 4162231 CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3)C 1 2.276 4 4 0 -20.1495536746193 4162222 CC1=C(C=C(C=C1)C(=O)NCCN2C=CC3=CC=CC=C32)[N+](=O)[O-] 1 3.566 3 3 -15.1329669246307 4162216 CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2CCCO2 1 2.43 1 6 0 -23.9953182869216 4161943 COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC3=CC=CC(=C3)C(=O)O 1 4.501 2 5 0 -3.92647984107364 4161930 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NN=CC3=CC=C(C=C3)OCC(=O)O 1 2.378 3 6 0 -15.8998124021589 4161902 CC1=C(C(=NN1CC(=O)N2C(CC(=N2)C(F)F)(C(F)F)O)C)[N+](=O)[O-] 1 0.705 5 4 0 -6.72130000533666 4161892 CC1CCN(CC1)CCCNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4 1 1.848 4 4 0 -30.4533466083957 4161848 CC(C(=O)OCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C 1 2.339 1 4 -11.000468412761 4161815 C1COC2=C(O1)C=CC(=C2)NC(=O)CCCN3C(=O)C4=C(C=CS4)NC3=S 1 3.087 3 4 0 -15.6094017400445 4161749 CC1=CC=C(O1)C(=NNC(=S)NC2CCCCC2)C 1 3.611 3 1 -5.35067023916374 4161706 CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)N5C=CC=CC5=N4)C 1 4.483 4 2 -31.2166673291383 4161622 CC1=CC(=C(C=C1)C)C(=O)COC(=O)C(C)N2C(=O)C3C4CCC(C4)C3C2=O 1 2.974 1 5 -12.3982820877462 4161424 COC1=CC=C(C=C1)C(=O)NN=C2C(=CC3=CC=CC=C3O2)C(=O)NCC4=CC=CC=C4 1 3.729 3 4 0 -11.7347852538503 4161409 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65 1 4.94 4 4 0 -17.8898714690625 4161407 CC1=CC(=NNC(=O)C2=CC=CC=C2)CC1 1 2.375 2 1 -6.97876502572176 4161349 COC1=CC=CC(=C1)C(=O)NN=C2C(=CC3=C(O2)C(=CC=C3)OC)C(=O)NCC4=CC=CC=C4 1 3.712 3 5 0 -12.9814084662185 4161187 CCC(C)NS(=O)(=O)C1=C(C(=C(C=C1)OC)Cl)Cl 1 3.303 1 3 -10.4784379184961 4161186 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(C(=O)N2N)C 1 9.7e-002 7 2 0 -22.7488682842445 4161052 C1CC2=C(C(=C3SCCS3)C1)NC(=S)NC2C4=CC=CC=C4 1 4.756 2 0 -16.5999903624877 4161016 C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3)F 1 2.067 4 3 0 -23.9676807323008 4161015 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)C4=CC=CO4 1 2.722 3 4 0 -9.77777984726012 4160983 CCOC(=O)C(=NNC1=CC=C(C=C1)Br)N2CC(OC(C2)C)C 1 2.98 3 3 -6.14551627915852 4160908 CC1=CC(=NO1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)[N+](=O)[O-] 1 1.997 6 4 0 -12.9078312974224 4160896 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC(=C3)OC)OC)CCOC 1 1.802 3 5 0 -21.4147999542784 4160894 CC1=CC=CC(=C1)C(=O)NC2=NN=C(O2)C3=COCCO3 1 0.855 3 4 0 -5.96839292764635 4160822 COC1=CC=C(C=C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3CC5=CC=CC=C5 1 4.769 4 3 0 -4.09202487894664 4160800 C1CN(CCN1CC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)F 1 2.685 4 3 0 -3.10503643601254 4160791 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)N4CCCC4 1 3.914 3 4 0 -6.21682642609889 4160670 CC1=CC(=C(O1)C)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.005 2 7 0 -27.7898687381997 4160668 CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC 1 6 2 1 -3.83099035306602 4160638 CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC4=CC(=O)N5C=CC=CC5=N4)F 1 2.942 4 3 0 -13.5281367472645 4160636 CC1=C(C(N2C(=O)C(=CC3=CC=CS3)SC2=N1)C4=CC=C(C=C4)F)C(=O)OC 1 4.262 2 3 -27.5704545796798 4160611 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)N3C(CC(=N3)C(F)F)(C(F)F)O)C)[N+](=O)[O-] 1 1.91 5 5 0 -5.89060533163731 4160559 COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.102 3 6 0 -17.2390844315646 4160427 CCOC1=C2C(=C(C=C1)S(=O)(=O)NC3=CC=CC(=C3)C)C=CC=N2 1 3.322 2 3 -4.0232930615358 4160385 C1CC1C(=O)NC2(C(=O)N(C(=O)N2)CCC3=CC=CC=C3)C(F)(F)F 1 2.299 3 3 -7.38380425144427 4160363 CCC1C(=O)N(C(=O)C(S1)CC)CC(=O)NC2=CC3=C(C=C2)OCO3 1 1.951 2 5 0 -11.3726807334461 4160337 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)NN=CC3=CC=CO3 1 0.716 4 5 0 -26.6741194365259 4160289 CC1CCCCN1C(=O)C2=C(C3=C(N=CN=C3S2)N4CCC5=CC=CC=C5C4)C 1 4.957 4 1 -14.9174451789962 4160170 CCOC(=O)C1C(C(=NN1)C(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C 1 3.807 2 3 -8.58149735712018 4160075 COC1=C(C=C(C=C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)O 1 1.889 4 7 0 -10.6432415298891 4160072 CC(C1CC2CCC1C2)NCC(COCC3=CC=CS3)O 1 2.708 1 2 -3.0882020211448 4160031 CSC1=NCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.342 3 3 -20.9509042923438 4160030 C1CCCN(CC1)C(=O)CSC2=NN=C(O2)CNC(=O)COC3=CC=C(C=C3)Cl 1 2.411 4 4 0 -22.4810986250582 4159955 C1CCC(CC1)NC(=O)NC2=NC3=CC=CC=C3N2 1 2.861 4 1 -5.08461691369234 4159856 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NC3=CC=C(C=C3)OC)C 1 5.377 5 5 0 -7.25652544614102 4159827 CC(C(C)(C)C)NC(=S)NC1=CC=CC(=C1)C(F)(F)F 1 5.297 2 0 -5.45064184836862 4159796 CCCCCCCCCC(=O)NN=C(C)C1=CN=CC=C1 1 3.709 3 1 -11.6700566138357 4159792 CCN1C(=C(C=N1)CNC(=O)NC23CC4CC(C2)CC(C4)C3)C 1 2.24 4 1 -8.95676176944037 4159774 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)C(=O)OC 1 2.521 2 5 0 -15.087353891267 4159773 CC1=C(SC=C1)C=NNC2=C(C=C(C=C2)F)F 1 4.299 2 0 3.01027350705245 4159770 C1CCC(C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=CC=C4 1 2.473 3 3 -2.19714865709701 4159716 CC1=CC=CC(=C1O)C(=O)OCC(=O)NC(C)CCC2=CC=CC=C2 1 3.727 1 4 -10.1262896319739 4159660 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 1.404 5 6 0 -25.7118163143362 4159644 CCC(C)SCC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)OC 1 1.469 2 5 0 -28.6538735041127 4159632 C1=CC(=CC=C1C=NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C(=O)O 1 1.678 4 6 0 -10.0332917184739 4159564 CC1=C(N=C2N1C=CC=C2)C(=O)NN=C(C)C3=CC4=C(C=C3)OCO4 1 1.883 4 3 0 -13.5090338866819 4159555 C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)NC3=NC(=CS3)C4=CN=CC=C4 1 1.926 3 3 0 1.57298870976725e-002 4159435 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C(=CC=C3)Cl)Cl 1 4.964 2 3 -8.12423825830248 4159425 CCC1C(=O)N(C(=NCC=C)S1)S(=O)(=O)C2=CC=C(C=C2)C 1 3.774 2 3 -12.6673182894658 4159382 CC1=CC(=C(C=C1)OC)NC(=O)C(CCS(=O)(=O)C)NC(=O)C 1 0.275 2 5 0 -19.0200869411868 4159381 CC1CCCC(C1C)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 4.058 3 2 -15.3289502146741 4159365 CC1CCC2=C(N1C(=O)C3=CN=C4N(C3=O)C=CS4)C=CC(=C2)F 1 1.946 3 2 0 -14.5627025724038 4159332 C1=CSC(=C1)C=NNC(=O)C2=CC(=CN=C2)Br 1 2.234 3 1 -5.73440362595226 4159119 CCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC=C2OC 1 3.332 3 3 -14.1957020492288 4159027 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NNC4=CC=CC(=C4)C(=O)O 1 5.205 4 2 5.69766175373846 4159016 C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=CS4 1 1.979 3 1 0 -6.49792257042842 4158789 CCOC(=O)C1=CC(=C(C=C1)N2C=CN=C2)NC(=O)C3=CC=C(C=C3)Cl 1 3.152 3 3 -10.00552760876 4158664 C1CCC2=C(C1)C=CC(=C2)C(=O)NC3=C(C=CS3)C(=O)N 1 2.916 2 2 -10.7080734674081 4158621 C1=CC2=C(C(=O)N(C2=O)CCCC(=O)NC3=C(C=C(C=C3)F)Cl)N=C1 1 2.216 3 3 -6.86924670289775 4158566 COC(=O)C1=C(C=CS1)NC(=S)NC2=CC=C(C=C2)F 1 4.381 2 2 -8.61795739737823 4158541 C1C2=C(N(N=C2CS1(=O)=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Br 1 3.215 3 3 -5.89428478019393 4158516 CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N(C)C2CCCCC2)[N+](=O)[O-] 1 3.297 2 6 0 -15.826462316816 4158496 CCC1=CC=CC=C1NC(=O)C2=CC=CC=C2N3C(=O)C4C5CC(C4C3=O)C=C5 1 3.414 2 3 -3.3018160527843 4158489 CC1CCCC(C1C)NC(=S)NC(=O)C2=CC=CC=C2Br 1 5.089 2 1 -9.07510949179065 4158470 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O)OC 1 2.686 3 5 0 -12.6557789288558 4158429 COC1=C(C=C(C=C1)NC(=O)COC2=NC=NC3=CC=CC=C32)S(=O)(=O)N4CCOCC4 1 1.335 4 6 0 -17.324243647218 4158365 CC1=CC(=O)N=C(N1)NN=C2CCC(CC2)C(C)(C)C 1 2.298 4 1 -15.487168841972 4158327 CC1=CC=CC=C1N2C(=O)CSC2=C(C#N)C#N 1 2.27 3 1 -6.92984338937322 4158184 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3 1 3.21 2 5 0 -22.5091070583139 4158180 C1COCCN1C(CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CS3 1 2.112 4 6 0 -14.2984698610002 4158063 CC(=C1C2CCC1C3C2C(=O)N(C3=O)NC(=O)C4=CC=CO4)C 1 1.688 2 4 0 -7.52808764844031 4177711 CC1=CC=C(S1)C(=NNC(=O)C2=CC=C(C=C2)OC3CCCC3)C 1 4.148 2 2 -9.41143743854342 4177688 C1CCC2=C(C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4 1 5.085 3 2 -12.6314465149341 4158046 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N(CCO)CCO 1 1.165 5 2 0 5.95182397452292 4158041 C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=CC=C3F)SCC4=CC=C(C=C4)F 1 5.722 2 1 -14.8769666130719 4158022 CCOC1=CC=C(C=C1)NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OC(C)C(=O)OCC 1 2.425 2 6 0 -18.3237004290893 4157930 C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=CNC3=O 1 1.283 3 6 0 -25.1154461502377 4157867 CC1(CC2=C(C(NC(=O)N2C)C3=CC=C(C=C3)C(F)(F)F)C(=O)C1)C 1 2.908 2 2 -14.9795491957978 4157793 COC1=CC(=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C3=NC(=CS3)C(=O)O)OC 1 2.601 3 5 0 -2.25481376059512 4157753 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CCC3=CC=CC=C3 1 2.389 3 4 0 -20.2111131414412 4157752 CC1=CC(=CC=C1)NC(=S)NN=C(C)C2=CC3=CC=CC=C3O2 1 5.147 3 1 0.399291901655976 4157683 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 1.168 3 8 0 -19.990809940968 4157678 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.389 4 5 0 -31.493702569932 4157667 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C(=O)C 1 3.015 1 4 -12.6947420056 4157635 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.606 3 3 -14.1195112728377 4157613 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CN=CC=C3 1 1.984 3 3 0 -20.8020781459173 4157547 CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2CC3CCC2C3 1 1.507 4 3 0 -11.7062504718443 4157509 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3)SCC(=O)NCC4CCCO4 1 3.865 2 5 0 -18.0383228020409 4157467 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)NC2=CC=C(C=C2)Cl 1 1.892 3 3 0 -6.49352601971225 4157311 C1=CC=NC(=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Br 1 3.035 5 2 0 -28.044488622466 4157219 CC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC=C 1 4.003 1 1 -4.17068571351036 4157194 CC1=C(C=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CO3)Cl 1 4.852 3 2 -9.65947168531702 4157188 CC1=C(C=C(C=C1)NC(=S)N(CCN2CCCCC2)CC3=CC=CO3)Cl 1 6.02 3 1 -8.07463629617131 4157181 CC(=NNC(=O)C1=CC=CC=C1Cl)CCC2=CC3=C(C=C2)OCO3 1 3.577 2 3 -7.82605315371009 4157177 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2 1 2.948 2 6 0 -17.6729995061334 4157161 CCOC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3 1 3.15 3 4 0 -14.4494130139852 4157158 C1CN(CCN1C(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3)C(=O)C5=CC=CO5 1 1.395 4 5 0 -11.7597948511103 4177586 CN1C=CN=C1SCC2=CC(=CC=C2)OC 1 2.573 2 1 -3.75993168838235 4177567 CCCCN(C)CCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=C(C=C2)C 1 2.915 4 2 -9.58681011641664 4177564 COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NCC3=CC=CO3)OC 1 1.37 2 5 0 -20.8930888971593 4177562 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=S 1 4.271 4 2 -3.80211620167645 4177539 COC1=CC=CC(=C1)NC2=C(C(=O)OC2OC(=O)C3=CC=CO3)Cl 1 2.929 1 6 0 -4.8028803146929 4177514 C=CCN(CC=C)C(=S)NC1=CC2=NSN=C2C=C1 1 4.409 4 0 -10.2819199525868 4177498 C1COCCN1CCCNC(=O)CCS(=O)(=O)CC2=CC=C(C=C2)Cl 1 1.224 2 4 0 -15.5793871651535 4177496 CCCCOC1=CC=C(C=C1)C(C)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2Cl 1 4.608 1 4 -15.5789245662079 4177489 CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=NN(C(=C3Br)C)C 1 4.275 5 1 -6.02868609715171 4177485 CCN1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C 1 4.065 6 0 -6.23916416681958 4177430 CC1=CC=C(C=C1)N=NC2=C3N=C(C=C(N3N=C2N)C)C 1 3.316 6 0 -0.938287205998541 4177421 CCCC1=CC2=C(S1)N=C(N(C2=O)NC(=O)C3=NN(C=C3[N+](=O)[O-])C)C 1 1.896 6 4 0 -11.5106319378907 4177420 CC1=CC=C(C=C1)C2CC2C(=O)NNC(=S)NC3=CC(=CC=C3)Cl 1 4.802 3 1 -3.06596963825919 4177382 CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NN3C=C(C=N3)[N+](=O)[O-])C)[N+](=O)[O-] 1 1.763 7 5 0 -9.46942687613644 4157108 CC1CCC(=NNC2=CC=CC=C2)C(=O)N1 1 1.742 3 1 0 -5.94191916181537 4177293 COCCNC(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CC4=CC=CO4)OCO3 1 1.698 3 6 0 -24.2856106991156 4157003 CC(C1=CC=CO1)N(C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)C#N 1 3.337 3 2 -9.39986883206373 4177281 CN(C1CCCCC1)C(=O)COC(=O)C2=CC=CNC2=O 1 0.615 2 4 0 -14.3718181481711 4177185 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CSCC3=CC=CC=C3 1 4.216 2 1 -1.55619930490201 4177105 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C(C(F)(F)F)(F)F)(F)F 1 2.856 3 4 0 -8.97391638881213 4156953 C1CC(=O)N(C(=O)C1)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] 1 3.026 5 6 0 -6.24261022241136 4156950 CN(C)C1=NC(=NC(=N1)OC)OC2=CC=C(C=C2)C=NO 1 2.421 5 3 0 -3.18441610935249 4156949 C1=CC=C(C(=C1)N2C(=O)NC3=CC(=C(C=C3N2O)Cl)Cl)Cl 1 3.989 3 2 -0.929065387673754 4156932 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CC=CO3)F 1 0.9 3 6 0 -20.3297889964745 4156921 CCNC(=O)C(=O)NCC1N(CCCO1)S(=O)(=O)C2=CC=CS2 1 -0.422 3 5 0 -17.2867706064591 4156918 COC1=CC=C(C=C1)C(=O)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])C#N 1 3.208 4 4 0 -3.31419567895979 4156893 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3 1 1.721 2 3 0 -22.6653772045941 4156892 CCC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 2.166 2 3 -18.7476369492399 4156843 CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.53 2 5 0 -17.315591805445 4156821 C1CN(C(OC1)CNC(=O)C(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=CS3 1 0.553 3 5 0 -19.5334165311916 4156786 CC1=CC(=CC=C1)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NC4CC4 1 3.151 2 2 -11.1523665162247 4156774 CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC3=CN=CC=C3 1 2.612 3 3 -18.1432272686292 4156773 CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC3=CC=CC=N3 1 2.827 3 3 -17.8250914616676 4156772 CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)N3CCOCC3 1 2.072 2 4 -16.0552630804504 4156714 CCOC(=O)C1=C(SC(=C1C)C)N=CC2C(=O)C3=CC=CC=C3C2=O 1 3.412 1 4 -2.83132163771748 4156620 CN1CCC2=CC(=C(C(=C2CC1=O)OC)OC)OC 1 1.304 1 4 0 -7.31318622896618 4156606 C1COCCN1C2=CC(=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-] 1 0.676 3 5 0 -6.99877768877202 4156535 CC1=C(C=C(C=C1)C(C(Cl)(Cl)Cl)NC(=O)N2CCCC2)F 1 3.937 2 1 -7.05501009746841 4156521 CC1=C(NC(=S)NC1C2=CC=C(C=C2)OC)C(=O)OC 1 2.539 2 3 -13.2172645796778 4156504 CCC1CCCCN1C(=O)CSC2=NN=C(O2)CNC(=O)C3=C(C=CC=C3Cl)F 1 3.226 4 3 0 -26.4918671995558 4156468 CC1CCC2CCCCC2N1C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.632 3 5 0 -8.03314672464279 4156435 C1CC(OC1)C(=O)NC2=CC(=C(C=C2)Br)Br 1 2.78 1 2 -10.6887672000426 4156352 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(O3)CNC(=O)C4=C(C=CC=C4Cl)F 1 3.037 5 3 0 -19.7413285088814 4156241 C=CCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3C=NC=N3 1 1.476 6 3 0 -30.7991322479013 4156222 C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.976 4 6 0 -7.20947223759719 4156187 CCN1CCC2=C(C1=O)C=CC=C2OCC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.073 2 5 0 -14.9545156074323 4156165 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3 1 0.791 2 6 0 -17.3341587983342 4156101 CC(C1=CC=CC=C1)SC2=NCCN2S(=O)(=O)C3=CC=CC=C3 1 3.972 2 2 -14.4438233649573 4155926 CCCC1=NC2=C(N1)C(C(=C(O2)N)C#N)C3=CN=CC=C3 1 1.602 5 1 0 -6.41899155683668 4155753 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5 1 3.592 4 4 0 -10.5567112580857 4155745 CC(CC(C)C(=O)O)C(=O)NC1=CC=CC=C1C(C)(C)C 1 3.577 1 3 -10.3574482303369 4155687 CC1CCCCN1C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC=CS3 1 2.889 3 2 -11.0266249701614 4155588 CC1=CC2=C(N1C)C=CC(=C2)CNS(=O)(=O)C3=CC=C(C=C3)OC 1 2.953 2 3 -3.18599698605742 4155575 CC1CC2=CC=CC=C2N1C(=O)CN3C=C(C=N3)[N+](=O)[O-] 1 1.668 4 3 0 -13.3158122840558 4155571 CC1=CC(=C(C=C1C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)COC4=C(C=CC=C4OC)OC)C 1 4.763 4 3 0 2.49775616702605 4155562 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC3=NC4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5 1 4.808 5 3 0 -5.58037295674384 4155552 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2CCC(CC2)C(=O)NCCOC)C 1 3.02 2 4 -18.3920530545441 4155550 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC(OC)OC)C 1 3.089 2 5 0 -18.1620468885272 4155549 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4)C 1 4.503 2 5 0 -16.0867926992107 4155543 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC3=CC=CC=N3)C 1 3.799 3 3 -16.4564544512117 4155436 CC1=CC=C(C=C1)C2CC2C3=NNC(=S)N3C4=CC(=CC=C4)Cl 1 5.206 3 0 -4.91306514275767e-002 4155379 CCOCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4 1 2.982 3 5 0 -17.1155457600064 4155348 CC1=CC(=NO1)NC(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC(=O)OC 1 1.967 4 7 0 -24.822285011398 4155265 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)N3CCCCC3 1 1.861 3 2 0 -17.7880727498245 4155260 CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=CC=CC2=CC=CC=C21 1 0.714 2 4 0 -17.6001980161061 4155211 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 1.404 5 6 0 -24.6541110462988 4155128 COC1=CC=C(C=C1)CC(=O)NCC2=NNC(=S)N2C3=CC=CC=C3 1 2.756 4 2 -13.6090459905956 4154944 CC1CCCCN1CC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C 1 3.953 5 2 0 -14.2897596411705 4154942 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4C(CC(=N4)C(F)F)(C(F)F)O)C 1 4.986 3 2 9.19294376058219e-002 4154934 CC1CN(CC(O1)C)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-] 1 2.66 3 4 0 -12.5554853384112 4154873 CC1=NN2C(=O)C(=CC3=C(C=C(C=C3)OC)OC)SC2=NC1=O 1 2.092 3 4 0 -8.80352132924872 4154783 C1C2=C(N(N=C2CS1(=O)=O)C3=CC(=CC=C3)Cl)NC(=O)C4=CC=CO4 1 2.526 3 4 0 -1.03644819787457 4154748 C1=CC=C(C(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S)F 1 3.554 2 3 -6.21262350587082 4154672 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCC(OC)OC)OCC 1 3.536 3 6 0 -17.1975466162629 4154665 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCOC)OCC 1 3.467 3 5 0 -16.1510998655919 4154497 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C)C 1 1.464 4 4 0 -23.8482360609425 4154453 C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4 1 3.632 2 3 -15.224403274784 4154397 CC1=C(N=C(S1)NC(=O)C2C3CCC(C2C(=O)O)O3)C4=CC=C(C=C4)CC(C)C 1 3.564 2 4 2.78638243867157e-002 4154351 C1=CC=C(C=C1)CC(=O)NC2=NN=C(O2)C3=CC=CO3 1 1.885 3 3 0 -4.64906213124754 4154296 C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NCC3=CC=CC=N3 1 -5.2e-002 4 3 0 -23.362032791009 4154283 COC1=CC(=C(C=C1)NC(=O)CSC2=NC=NC3=C2SC4=CC=CC=C43)OC 1 4.225 3 3 -10.9457978723938 4154281 C1=CC=C2C(=C1)C3=C(S2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)Br 1 5.007 3 1 -6.01178062272735 4154262 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2CCCO2 1 1.161 1 5 0 -14.8852370291551 4154231 CC1=C(C(=NN1C)C)C2NC3=CC=CC=C3C(=O)N2O 1 1.539 4 2 0 -5.57794035941998 4154228 C1CCCC(CC1)N2CC(=O)N(C(C2=O)C3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5 1 4.121 2 4 -7.70499272604557 4154216 CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)N(C)C5CCCCC5 1 5.492 5 1 -6.07523779659231 4154158 C1CCN(CC1)P(=O)(C(Cl)(Cl)Cl)N2CCCCC2 1 3.816 2 1 -1.73685194754574 4154095 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=C(C=CC(=C3)Cl)OC 1 2.54 4 5 0 -21.8670390431154 4154094 CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=C(C=C3)OC 1 2.834 4 4 0 -21.8940606398532 4154093 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)F 1 2.097 4 4 0 -19.8636168384437 4154053 CC(C)N1C(CCC1=O)C(=O)O 1 0.178 1 3 0 -9.62121697992935 4154031 CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)NC5=C(C=CC=C5F)F 1 5.416 5 1 -4.02570486228697 4154025 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)COC4=CC=C(C=C4)C#N 1 3.442 4 4 0 -19.867631645232 4153946 COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 3.438 2 7 0 -13.7137108591861 4153916 CC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2Cl)CC3=CC=CC=N3 1 6.43 3 0 -8.74275471694262 4153901 CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S 1 2.934 4 4 0 -10.481251629602 4153900 CN(CC(=O)NC1CCCC2=CC=CC=C12)S(=O)(=O)C3=CC=CS3 1 2.392 2 3 -12.9506652561708 4153860 CN(C)CCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-] 1 3.938 3 3 -3.5697495042094 4153844 CC1=CC=CC=C1NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)CC3=CC=CC=N3 1 6.054 3 2 -13.3151158273201 4153842 CC1=CC=CC=C1NC(=S)N(CC2=CN=CC=C2)CC3=CC=CC=C3Cl 1 6.215 3 0 -9.59486175744 4153840 CC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=S)NC3=CC=CC=C3C 1 6.369 2 1 -12.2936509606826 4153835 CC1=CC=CC=C1NC(=S)N(CCN2CCCCC2)CC3=CC=CO3 1 5.355 3 1 -10.2987068386046 4153810 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.487 2 3 -9.23298246546033 4153765 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NNC(=O)C3=CC(=CC=C3)F 1 3.287 3 3 -8.1133412751811 4153730 CC(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C3CCCO3 1 4.364 1 4 -14.8465347539719 4153701 C1=CC(=C(C=C1NN=CC2=CC=NC=C2)Cl)Cl 1 3.627 3 0 3.50142299833054 4153654 C1=CC=C(C=C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=CC=C3 1 2.831 5 2 0 -2.65912979397942 4153556 COC1=CC=CC(=C1)C(=O)NN=C(CCC(=O)O)C2=CC=CC=C2 1 2.492 2 4 -10.5646663985355 4153536 CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC3=C(C=C2)OCO3 1 1.797 4 6 0 -11.2670319553929 4153400 CSC1=NCCN1C(=O)C2=CC=C(O2)Br 1 2.271 2 2 -7.62603819463058 4153273 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)N2CC(=O)C(=C2N)C3=CC=CC=C3 1 2.482 3 3 -15.7550387639194 4153258 COC1=CC(=C(C=C1)OC)C=NNC2=NN=CN2N=CC3=C(C=CC(=C3)OC)OC 1 2.502 6 4 0 -3.65287345094407 4153256 CCC1=CC=C(C=C1)C=NNC2=NNN=N2 1 2.124 6 0 -3.64001594532528 4153184 CCOC(=O)C(=NNC1=CC=CC=C1Cl)N(C)C2CCCCC2 1 4.311 3 2 -3.29694909278878 4153147 CSC1=NC(N=C(N1)C2=CC=CC=C2)C(Cl)(Cl)Cl 1 4.16 3 0 -1.46680374866363 4153146 CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2Br 1 5.109 3 0 5.91118110882183 4153120 CC1CN(CC(O1)C)C(=O)COC(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.722 1 4 -11.9886301647277 4153036 CCOC1=CC=C(C=C1)N2C(C(=C(C2=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4)NC(=O)C 1 4.695 3 3 -4.4995741440499 4153012 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3CCCO3 1 1.917 2 4 0 -26.1159888478562 4152907 CCC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3 1 5.07 3 1 -3.39944281196473 4152869 C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.558 4 3 0 -18.8598703530937 4152828 CC1=CC=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)F 1 3.671 3 4 0 -7.88161166377634 4152810 CC(C(=O)OC)SC1=NN=C(N1C2=CC=C(C=C2)OC)CC3=CC(=O)NC(=O)N3 1 1.583 5 5 0 -20.0508757119226 4152676 C1=CC=NC(=C1)N(C2=CC=CC=N2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.068 4 3 0 -8.2269521924704 4152610 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NN=C(S3)N 1 0.746 5 4 0 -27.4330711698814 4152519 CC1=CC=CC=C1NC(=S)N(CCCN2CCCCC2)CC3=CC=CO3 1 5.418 3 1 -9.48493601683818 4152515 CC1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=CC=C3C 1 5.669 3 1 -12.092525280632 4152513 CC1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3=CC=CS3 1 4.746 3 1 -10.1107573138377 4152507 CC1=CC=CC=C1NC(=S)N(CCN2CCCCCC2)CC3=CC=CS3 1 6.37 3 0 -8.52592192469198 4152491 CCCCN(C)CCN1C(=O)C2=CC(=C(C=C2NC1=S)OCC)OCC 1 4.274 3 3 -6.89222059049819 4152480 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3CCN(CC3)CC4=CC=CC=C4)OCC 1 4.501 3 3 -7.35619403515584 4152428 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2SC4=CC=CC=C43 1 4.591 3 2 -7.55630892906489 4152363 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=NC4=CC=CC=C4S3 1 2.517 5 4 0 -19.3099360103931 4152361 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NCC3=CC=CO3 1 1.081 4 5 0 -26.4016572160062 4152358 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 1.66 4 6 0 -24.611192069336 4152252 CCC(=O)NCC1=CC2=C(C=C1)NC(=C2)C 1 2.063 2 1 -7.05531322355503 4152248 CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C 1 2.365 6 2 0 -11.4106895630143 4152247 CC1=NN2C(=C(SC2=N1)C(C3=CC(=CC=C3)OC)N4CCN(CC4)C(=O)C5=CC=CO5)O 1 2.74 5 4 0 -6.7518146242189 4152246 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=C(C=C3)Cl 1 3.354 3 3 -4.90769238114573 4152139 CC1=CC=CC=C1OCC(=O)OCC(=O)NCC2CCCO2 1 1.425 1 5 0 -17.2810666644538 4152024 C1CCC(C1)NC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 3.677 2 1 -5.44961430477197 4151890 C1CCC(CC1)NC(=S)NCCCC2=CC=CC=C2 1 4.877 2 0 -11.3946765760656 4151814 CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)C3CC=CCC3C(=O)O 1 4.298 1 5 -3.55756514683782 4151798 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C 1 2.224 4 2 -12.3729915366349 4151789 CC(CNS(=O)(=O)C1=CC=CC=C1)(C2=CC=CC=C2)N3CCCCC3 1 3.614 2 2 -5.54989542674213 4151785 CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C 1 2.44 2 5 0 -23.4270960209737 4151783 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NCCN4C(CCCC4C)C 1 2.54 4 4 0 -33.6866134711313 4151779 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC=C3F 1 3.779 2 3 -8.20814947232617 4151700 CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3 1 3.309 4 4 0 -17.5548241333752 4151654 C1=CN2C(=C(C=N2)C(=O)NC3=CC(=CC(=C3)Cl)Cl)N=C1 1 2.216 4 1 -4.70056945363316 4151617 C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=CC=CNC3=O 1 1.15 2 4 0 -15.0918237811081 4151535 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3CC3C 1 3.373 2 5 0 -16.2488606941213 4151528 C1CC(OC1)CNC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl 1 3.172 1 5 -16.9294577120579 4151527 C1CC(OC1)CNC(=O)COC(=O)CC2=C(C=CC=C2Cl)Cl 1 2.467 1 4 -17.4156699486142 4151467 CC1=CC=CN2C1=NC(=C(C2=O)C=NCC3=CC=CC=C3)NC4=CC=C(C=C4)OC 1 3.714 4 2 -8.55411555561551 4151458 COC1=CC=CC=C1C(=O)NCC2=NNC(=S)N2CC3=CC=CC=C3 1 2.728 4 2 -12.6451988029872 4151439 CC(=O)C1=CC=C(C=C1)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.886 1 5 0 -9.98820877879119 4151364 CC1(CC2=C(C=C(C(=O)N2C3=CC=CC=C3)C(=O)NNC4=CC=CC=C4)C(=O)C1)C 1 3.25 3 3 -14.9773206419167 4151343 CC1=CC2=NC=C(C(=O)N2C=C1)C(=O)NCC3=CC=C(C=C3)OC 1 0.943 3 3 0 -12.8658584026928 4151336 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC(C)(C)CNC(=O)C2=CC(=C(C(=C2)OCC)OCC)OCC 1 4.803 2 8 0 -13.5801837650669 4151262 CC1=CC(=CC(=C1)OCC2=CC=C(O2)C(=O)N3C(CC(=N3)C(F)F)(C(F)F)O)C 1 3.894 2 4 -4.8853279107981 4151261 CC1=C(C(=NN1C)C2=NNC(=S)N2C3=CC=CC=C3)Cl 1 3.566 5 0 -2.17065547572087 4151188 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3CC4CC3C=C4 1 2.049 2 5 0 -16.7213751658426 4151113 CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)NC5CCCCC5 1 5.286 5 1 -7.29376360715368 4151085 CC1=C(C(=NN1)C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN4C3=NC5=CC=CC=C54 1 1.363 6 3 0 -13.3196301326733 4151069 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C(=O)N(C1=O)C 1 1.174 3 8 0 -18.523619136657 4151065 CC1=C(SC2=NC=NC(=C12)N3CCC4=CC=CC=C4C3)C(=O)N5CCC6(CC5)OCCO6 1 3.728 4 3 0 -15.3145244349333 4151039 CC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)C3=COCCO3 1 2.304 2 3 -4.3968935622133 4151023 CC1=CC(=C(C=C1)C(CC(=O)N2CCCC2)C3=CC=CC=C3)O 1 3.724 1 2 -5.44164071110974 4150916 CCN(CC)CCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CC(CC(C3)C)C 1 1.457 5 4 0 -30.2987147767598 4150879 CCCC(=NNC(=O)C1=CC=CO1)C2=CC=C(S2)Cl 1 3.594 2 2 -5.44478086076553 4150876 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)Cl 1 3.185 3 2 -3.0252902784028 4150830 C1=CC(=CN=C1)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=S 1 3.232 3 1 -2.788171063703 4150634 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C 1 3.222 3 3 -6.19424260939415 4150639 CC(C)N(CC1=CC=CC=C1)C(=O)C2=CN=C3N(C2=O)CCS3 1 2.162 3 2 -13.157461396785 4150615 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NNC4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-] 1 4.175 6 4 0 -0.208867441198054 4150586 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)CC4=CC(=O)NC(=O)N4 1 3.634 6 4 0 -19.6129480667003 4150328 CC1=CC(=C(C=C1)NC(=S)N(CCCOC)C(C)C2=CC=NC=C2)Cl 1 4.94 3 1 -3.13431146929845 4150325 CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCOC(C)C 1 3.274 4 2 -19.9246167938474 4150312 CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN(C)CC4=CC=CC=C4 1 4.401 5 1 -12.4625413679906 4150224 CCCCNC(=O)NC1CCCC1 1 2.1 2 1 -12.678859412913 4150079 CC(=NNC(=O)C)C1=CC2=C(C=C1)OCCO2 1 0.785 2 3 0 -7.83401445409113 4150047 CC1(CC2=C(C(NC(=O)N2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C1)C 1 1.711 2 5 0 -28.1706909347466 4149978 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)F 1 4.284 3 4 0 -22.0781255833883 4149977 CC(=NNC1=NC2=CC=CC=C2N1)C3=CC=CS3 1 2.802 4 0 -1.04099441598148 4149975 CN1C(=NCC2=CC=CC=C2)SCC(=N1)C3=CC=C(C=C3)OC 1 3.92 3 1 -4.19846953621043 4149971 COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4CCCN4C3=O 1 2.242 4 3 0 -0.698697372104441 4149968 CC(C(=O)N1CCOCC1)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br 1 0.622 2 4 0 -14.7648379286338 4149889 COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC)NC2=S 1 4.736 4 4 0 -8.13387442886715 4149618 CC(C)(C)C1=NN=C(N(C1=O)N)NN=CC2=CC=CC=C2 1 2.046 6 1 0 -4.15898616282148 4149615 CN1C(=O)C2=C(C1=O)C(=CC=C2)NC(=O)CCC3=CC=CC=C3 1 2.138 2 3 -12.4136089890958 4149612 CCOC(=O)CCN(CC1=C(C=CS1)C)S(=O)(=O)C2=CC=C(C=C2)F 1 3.266 1 4 -12.0410875541453 4149556 CC(C)(C)C(=O)C1=C(C(=O)N(C1C2=CC=CC=C2F)CC3=CC=CC=C3)O 1 4.047 1 3 -17.7183919038661 4149513 CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4 1 4.082 4 3 0 -18.8269518351293 4149463 CC1=CC(=CC=C1)NC(=S)N(CC2=C(N(N=C2C)C)C)C3CC(=O)N(C3=O)C4=CC=CC(=C4)C 1 5.378 5 2 0 -4.7038407127802 4149271 CC(=NNC(=O)C1=CC=CC=C1N)C2=CC=C(C=C2)OC 1 1.9 3 2 0 -7.28976385784901 4149268 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)CSC3=C(C=C(C=C3)Br)C 1 3.24 2 6 0 -27.4971282499548 4149175 COC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC(=O)N2 1 1.286 2 3 0 -25.0135540594291 4149150 CC1=C(N2C=CC=CC2=N1)C(=O)C(=O)NC3=C(C=CC(=C3)F)F 1 2.363 3 2 -4.40288753853401 4149143 CC(C)NC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2 1 2.204 3 5 0 -21.9314660218655 4149141 CC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=S)N2 1 3.534 2 1 -23.7937783889395 4149089 CC(=NOCC(=O)NN=CC1=CC=C(C=C1)OC)C2=CC=CS2 1 2.318 3 3 -8.27511160903804 4149063 COC1=C(C=C(C=C1)Br)C=NNC2=CC=CC(=C2)C(=O)O 1 3.81 2 3 1.13072695311169 4148994 CCCN1CCC(=NNC(=O)CSC2=C(C=C(C(=C2)C)Br)C)CC1 1 4.165 3 1 -9.32244999247941 4148910 CCOC(=O)C1CCN(CC1)C(=O)CSC2=CC=CC=C2Cl 1 2.978 1 3 -12.367515626302 4148859 CC1=CC=CC=C1C2=NSC(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.759 3 3 -12.1893051989185 4148839 CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)N3CCC4(CC3)OCCO4 1 -0.164 3 5 0 -17.5733168792998 4148837 CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)NC3=C(C=CC(=C3)OC)OC 1 1.109 3 5 0 -15.8098084094236 4148832 CC1CCCN(C1)C(=O)CNC(=O)CN2C(=CC3=CC=CC=C3C2=O)C 1 1.008 3 3 0 -16.0777161173929 4148825 CC1=CSC2=NC=C(C(=O)N12)C(=O)NCC3=CC=C(C=C3)OC 1 1.13 3 3 0 -14.6886884596385 4148812 C1COCCN1C2=NC(=C(S2)C=NNC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4 1 3.544 4 3 0 2.22843840273453 4148717 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.531 2 3 -7.83422348538426 4148690 CC1=C(C=CC=C1Cl)NC(=S)N(CC2=CC=CS2)C3CCCC3 1 6.924 2 0 -6.74153999910435 4148611 CCN(CC1=CC=CC=C1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N(C)CCC#N 1 1.615 4 4 0 -24.1476047843613 4148550 CN(C1=CC=CC=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.627 2 4 -15.8794268391123 4148545 CC1(CC(=C(C(=O)C1)C(=O)CC2=CC=CC=C2)NCCCCCC(=O)O)C 1 3.202 1 4 -17.2505747033979 4148491 CCC1(NC(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4O)C 1 3.258 2 3 8.99989242778069 4148392 CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3 1 2.59 5 2 0 -20.078533634912 4148380 C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=CS3 1 2.829 3 1 -12.2037045108371 4148377 C1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4 1 3.215 4 3 0 -7.21901524551991 4148376 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C 1 1.614 5 5 0 -24.5687784355115 4148310 C1=CC=C(C(=C1)CNC(=O)CCS(=O)(=O)CC2=CC=CC=C2F)Cl 1 3.124 1 3 -16.3260664866598 4148227 COC1=CC=C(C=C1)CCC(=O)N2CCCC3=CC=CC=C32 1 3.826 1 2 -8.76629425421256 4148196 CCC(C)SC1=NN=C(N1C2=CC=C(C=C2)F)CC3=CC(=O)NC(=O)N3 1 2.863 5 2 0 -15.3843157468707 4147906 CCOC(=O)C1=CC=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3C(CC4=CC=CC=C43)C 1 4.042 2 5 0 -17.8646312817628 4147841 C1CCN(C1)CCCCOC2=CC=CC(=C2)OC3=CC=CC=C3 1 4.615 1 2 4.91156323324133 4147745 C1CN(C2=CC=CC=C21)C(=O)CC(C3=CC=CO3)NS(=O)(=O)C4=CC=C(C=C4)Cl 1 3.471 2 4 -18.4436119321958 4147731 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3CCCC(C3)C 1 2.707 3 4 0 -10.1147921270226 4147723 C1CC2=C(C(C(=C(O2)N)[N+](=O)[O-])C3=CC=C(C=C3)F)C(=O)C1 1 1.893 2 4 0 -12.4284634032282 4147709 CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC)C 1 4.104 3 5 0 -18.4881166966215 4147700 CC1=CC(=C(C=C1)C)NC(=S)NC2=CC=CC3=C2C=CN=C3 1 5.097 3 0 -4.12676217436506 4147683 CCN1C(=NNC1=S)C2=CSC3=CC=CC=C32 1 3.312 3 0 -3.21873112918356 4147656 C1CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC=CC=C4)C(=O)C1 1 1.289 6 1 0 -22.1790444220012 4147430 CC1=CC2=C(C=C1)NC(=C2CCN(CC3=CC(=C(C(=C3)OC)OC)OC)C(=S)NCCOC)C 1 5.427 3 4 0 -11.8705781055355 4147416 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)CCC3=O)OC 1 0.961 3 5 0 -9.87937130934764 4147335 CC(=C)CN1C2=CC=CC=C2N=C1CNC(=O)C 1 1.935 3 1 0 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C1C(=O)NC2=C(C=C(C=C2)F)C(N1C(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 3.451 2 2 -18.5700519552861 4146382 C1=CC=C(C(=C1)C#N)NC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.281 2 3 -8.20709930632307 4146378 CC1=CC(=CC=C1)CC(=O)NC2=NC3=C(C(=C2)C)C(=O)OC4=CC=CC=C43 1 4.559 2 3 -5.11751088237214 4146313 C1=CC(=CC=C1N2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl)F 1 4.085 4 2 -28.5192888088375 4146312 C1=CC2=NC(=CC(=O)N2C=C1)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)Br)SC=C4 1 4.259 4 2 -30.9661078393835 4146306 C1=CC=NC(=C1)CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S 1 3.538 3 1 -2.1555846503179 4146221 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC=C 1 2.77 2 4 -14.4314398646919 4146177 CC1CC(NC(=S)N1CCCC(=O)NC2=C(C=CC(=C2)C)OC)(C)C 1 3.71 3 2 -15.2330889910437 4146174 CC1CC(NC(=S)N1CCCC(=O)NC2=CC(=C(C=C2)F)F)(C)C 1 3.651 3 1 -12.0010131219787 4146173 CC1CC(NC(=S)N1CCCC(=O)NC2=CC3=C(C=C2)OCCO3)(C)C 1 3.026 3 3 -17.238723029687 4146137 C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC(=O)NC6=CC=CC=C6C(=O)O 1 2.489 2 5 0 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COC1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=CC=C3F)CC4=CC=CO4 1 4.062 3 4 0 -9.72522991534284 4145704 CN1C=CN=C1C(=NNC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.722 5 3 0 -10.3228433905989 4145643 COC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)F)OC 1 2.699 1 5 -10.8061360740894 4145617 CC1=CC(=O)OC(=C1C(=O)NC2CCCCCCC2)C 1 3.222 1 3 -10.8717994879054 4145616 CC1CC(CN(C1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)N4CCC(CC4)C(=O)N)C)C 1 0.301 5 5 0 -27.0321606088648 4145564 CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-] 1 3.126 4 3 0 -17.3545230000622 4145517 C1CC1NC(=O)CSC2=NN=C(S2)NC(=O)C3=C(C=CC=C3F)F 1 2.132 4 2 -24.9543923372074 4145424 CCCC=NNC(=O)CNC(=O)C1=CC=CC=C1Cl 1 1.758 3 2 0 -14.6740216169224 4145279 C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl 1 5.103 2 3 -7.31189126121195 4145244 CN1C=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 -7.6e-002 5 4 0 -33.5216506723153 4145119 C1=CC=C(C=C1)CC(=NNC(=O)C2=CC=CC=C2O)CC3=CC=CC=C3 1 4.146 2 2 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CCOC(=O)C1=C(N(C(=S)NC1C2=C(C=C(C=C2)Cl)Cl)C)C 1 4.566 2 2 -13.2359143852478 4144717 COC(=O)NC1=CC=C(C=C1)N=C(N)N[N+](=O)[O-] 1 2.766 5 4 0 -4.23621826480755 4144699 CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)N(C)S(=O)(=O)C3=CC=CC=C3 1 3.647 2 4 -6.89318335691328 4144691 C1=CC=C2C(=C1)C(=O)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)O)C2=O 1 4.033 1 4 0.12749315600554 4144686 CC1CC(CN(C1)CCCNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4)C 1 1.005 4 5 0 -34.5686852326036 4144520 C1COCCN1CCCNC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3Cl 1 3.105 3 2 -17.8978650326185 4144492 CC1(CC2=C(C(=O)C1)C3(C4=CC=CC=C4N(C3=O)C)C(=C(N2C5=CC=C(C=C5)Cl)N)C#N)C 1 3.61 4 2 -10.4254779540897 4144446 CCCCSC1=NC2=C(C(=O)N1CC)SC(C2)C 1 3.007 2 1 -11.351574937601 4144439 CC1=C(SC=C1)C=NNC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 1.299 4 4 0 -17.4918268147869 4144427 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)Cl)NC(=S)NC(=O)C3CCCC3 1 6.448 4 3 0 -7.85187901282275 4144359 CC1=C(C(=CC=C1)C)NC(=S)N2CCCCCC2 1 5.394 2 0 -10.949713524803 4144189 C1CCC2=C(C1)C=CC(=C2)C3=NN=C(O3)NC(=O)CCC4=CC=CC=C4 1 4.459 3 2 -7.84268121217937 4144167 C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CCO)[N+](=O)[O-] 1 1.179 4 4 0 -3.43339995064569 4144161 CN1C=CN=C1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.311 3 3 0 -16.6495885367621 4144138 CC(=NNC1=CC=CC(=C1)C(=O)NN=C(C)C2=CC=CO2)C3=CC=CO3 1 3.053 4 3 0 -4.3896928166266 4144107 CCN1C2=C(C=CC1=C3C(=O)N(C(=C4C(=NN(C4=O)C5=CC=CC=C5)C)S3)CC=C)C=C(C=C2)C 1 4.655 4 2 -7.53117758784077 4144026 CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 2.285 1 3 -11.1017125175648 4143977 CC(COC)N1C(=CSC1=NC2=CC=C(C=C2)OC(F)F)C3=CC4=C(C=C3)OCC(=O)N4 1 3.429 3 4 0 -1.39677173819652 4143934 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)C4=CC=CS4 1 3.021 2 1 -3.65920305127764 4143926 CC1=NC2=C(S1)C=CC3=C2SC(=N3)NC(=O)CC4=CC=CC=C4 1 3.619 3 1 -6.47821783145372 4143922 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC=CC=N2)OC(F)F 1 2.405 2 4 -11.6614143461234 4143902 CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CC(=CC=C2)OC)C(=O)O)C 1 1.95 2 5 0 -7.52272091515535 4143882 CCCCNC(=S)N(C)N=CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)OC)OC 1 4.353 4 4 0 -17.1873427629482 4143831 CC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3 1 3.303 3 3 -13.270223653133 4143751 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O 1 2.384 3 4 0 -13.0400192582448 4143710 CN1CCC(CC1)N(C)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -6.e-003 3 5 0 -19.2972949407641 4143704 CC1=CC2=C(C=C1)N=C(N=C2NN=CC3=CC(=CC=C3)[N+](=O)[O-])C(Cl)(Cl)Cl 1 4.923 5 2 0 0.369420322853382 4143693 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=O)NC3=CC=CC=C3 1 2.994 3 4 0 -9.3800657620126 4143692 CC(=NN1C=NN=C1)C2=CC=C(C=C2)C#N 1 0.904 5 0 0 -4.23462030787328 4143687 CC1=C(C=C(C=C1)NC(=O)NCC2=CN=CC=C2)Cl 1 2.529 3 1 -6.58408096713763 4143679 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C 1 2.118 2 5 0 -5.16658682623579 4143659 CCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=CC=C3OC)OC)OC 1 4.812 2 4 -19.8633023865176 4143472 CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C 1 1.211 2 6 0 -25.3852787424234 4143470 CCN(CC)P(=O)(C1=CC=CC=C1)C2=C(N=C3N2C=CC=C3)C 1 2.807 3 1 -5.92289138567845 4143340 CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CN=C(C=N2)C)OC)[N+](=O)[O-] 1 1.095 4 6 0 -19.1424188845002 4143337 CC1=CC2=C(C=C1)S(=O)C(C=C2)(C)C 1 2.55 0 1 1.88185143274486 4143288 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC4=CC=CC5=CC=CC=C54 1 2.013 3 6 0 -19.3832282664462 4143285 C1=CC=C2C=C(C=CC2=C1)C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.225 2 3 -0.180482793435913 4143235 CCOC1=CC=C(C=C1)CC(=O)N2CCN=C2SCC3=CC=C(C=C3)[N+](=O)[O-] 1 4.153 3 4 0 -15.4090875655612 4143226 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 4.958 3 4 0 -8.63468698635404 4143164 CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CO5 1 3.506 3 2 -0.844723122248096 4143050 CC(C)(C)C1CCC2(CC1)N(C(=O)CS2)C3=CC=CC=C3 1 4.112 1 1 -5.12806451151665 4143045 CC(C)C12CN3CCN(C1)CC(C3)C2=NNC(=O)NC4=CC=CC=C4 1 1.809 5 1 0 -6.31320453704073 4143025 CC1(CC(CC(N1CC(COCC2=CC=CC=C2)O)(C)C)O)C 1 1.859 1 3 0 -4.29403098588651 4142951 CC1=CC=CC=C1CS(=O)(=O)CCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.029 1 5 -18.5510118215502 4142901 CCCCN(C)CCN1C(=O)C2=C(NC1=S)N=CC=C2 1 2.998 4 1 -3.55746456918563 4142882 COC1=CC=CC=C1C=NNC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.304 4 5 0 -26.3672553738095 4142827 CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=CC(=C(C=C1)Cl)Cl 1 1.134 2 4 0 -15.7925574919575 4142740 CC1=C(C(NC(=O)N1C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC 1 2.611 3 6 0 -22.8988314889151 4142700 CC1=CC(=NN1CC(=O)NNC(=S)NC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 2.338 6 4 0 -16.4065260544536 4142675 CSC1=NCCN1C(=O)C2CCCC2 1 2.314 2 1 -5.84571632907267 4142608 CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(SC(=C3)Cl)Cl 1 3.316 3 4 0 -14.2389236678744 4142546 COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3CCCO3 1 1.64 3 4 0 -22.121970860224 4142544 COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S 1 3.332 2 4 -6.94941884507976 4142443 CN(C1=C(C=C(C=C1)OC)OC)C(=O)CN2C3=CC=CC=C3OC2=O 1 2.355 2 5 0 -6.43882834331626 4142440 CCN(C1=CC(=C(C=C1)C)C)C(=O)CN2C3=CC=CC=C3OC2=O 1 3.709 2 3 -7.53425946958337 4142326 CC1CCCN(C1)C(=O)C2=CC=C(C=C2)COC3=CC=CC=C3Br 1 4.796 1 2 -5.63447814205823 4142267 CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.343 5 3 0 -26.866598342388 4142258 CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4C(CC(=N4)C)(C(F)F)O 1 3.747 3 3 -0.803455232651034 4142257 CC1=NN(C(C1)(C(F)F)O)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC 1 3.398 3 3 0.295647437021335 4142211 CC1=CC=CC=C1OCCSC2=NC(=NC(=N2)N(C)C)N(C)C 1 3.253 5 1 -3.43474078462939 4142176 CC1=CC(=NO1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)[N+](=O)[O-] 1 2.252 5 4 0 -17.9587218149493 4142111 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(O4)COC5=C(C=C(C=C5)Cl)[N+](=O)[O-] 1 4.78 2 5 0 -6.88302814901162 4142056 COC(=O)C1=C(CCS1)NC(=O)C2=CC=C(C=C2)Br 1 1.934 1 3 0 -5.08834784891059 4142008 C1COC(=O)C1OC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.371 1 7 0 -10.538471771612 4141894 CC(C1CC2CCC1C2)NC(=O)CSC3=C(C=CC=N3)C(=O)O 1 2.691 2 3 -14.9822373099396 4141827 COC1=CC=CC(=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)O)N3CC4CC(C3)C5=CC=CC(=O)N5C4 1 4.021 4 4 0 -10.757097490557 4141822 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC(=C(C=C2)Cl)Cl 1 3.447 2 3 -14.1679395130306 4141820 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CO2 1 1.3 2 4 0 -18.0062745300694 4141819 CCCCNC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)C 1 1.864 2 3 0 -17.8636052506163 4141809 CC1=CC=C(C=C1)C2=NSC(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.759 3 3 -12.3266833692292 4141687 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=NC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.037 5 6 0 -9.36199854972644 4141666 CCC1=CC=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C4=C(C)C 1 3.978 1 2 -2.8120355539663 4141627 C1CN(CCC1=NNC2=CC(=C(C=C2)Cl)C(=O)O)CC3=CC=CC=C3 1 0.786 3 2 0 -4.60452958472652 4141439 CCCCNC(=O)C1CCCNC1=O 1 0.598 2 2 0 -23.9190583505832 4141385 CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 1.366 2 5 0 -15.6743828925903 4141331 CC1=CC(=C(C=C1)OCCCCCN2CCOCC2)Cl 1 3.889 1 2 2.38541575582725 4141294 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3N2 1 2.182 4 3 0 -13.796104778048 4141238 CC1=CC(=CC=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4 1 3.822 2 3 -0.33112518153406 4141161 CCN(CC)CCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)CCOC)C3=CC=C(C=C3)F 1 2.739 3 3 -8.9104500533372 4141152 CCOC(=O)C1=C(N(C(=NC(=O)C2=CC(=CC=C2)C)S1)C)C 1 3.145 2 3 -11.1202482311536 4141151 CC1=CC(=NO1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 0.998 5 7 0 -34.5332182433803 4141139 C1CCC2=C(C1)C=CC(=C2)C3=NN=C(O3)NC(=O)C4=CC=CC=C4 1 3.968 3 2 -5.50504411320569 4141064 C1CN(C(C2=CC=CN21)C3=CC=CC=C3F)C(=S)NC4=CC(=CC=C4)Br 1 6.5 3 0 -14.6488827573591 4141059 COC1=CC=CC=C1C2CN=NC23CCCC4=CC=CC=C4C3=O 1 4.733 2 2 1.33649974651673 4141058 C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCCCC3 1 2.717 3 2 -4.83389828096421 4141057 CN1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3CCCCC3 1 1.757 4 2 0 -2.15486121125379 4141055 CCN1C(=O)C=C(NC1=O)N2CCOCC2 1 -2.2e-002 3 3 0 -5.41778688817224 4141029 CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N=C(S3)N 1 2.699 3 1 -1.55576763646172 4141016 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N 1 2.452 2 3 -10.9374345936838 4140879 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)CN3C=CC(=N3)[N+](=O)[O-] 1 2.443 5 4 0 -9.27904554041638 4140830 CCN1C=C(C(=N1)C(=O)NC2=C(N(N=C2C)CC3=C(C(=C(C(=C3F)F)F)F)F)C)[N+](=O)[O-] 1 3.625 6 3 0 -10.5037656492974 4140778 CC1CCN(CC1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=C(C=C3)OC 1 1.69 4 4 0 -26.0254695314341 4140777 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)N3CCOCC3 1 0.209 4 5 0 -24.9046563773052 4140711 CN1C=CN=C1C(=O)C2=CC(=CC=C2)Br 1 2.482 2 1 -2.10842162626049 4140680 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)N3CCCCC3 1 1.438 4 4 0 -23.3363599275296 4140679 COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)N3CCCC3 1 0.982 4 4 0 -22.9818914133616 4140663 CC1=CC=C(O1)C(=O)NC2=CC=CC(=C2)C(=NNC(=O)C3(CC3(Br)Br)C)C 1 3.16 3 3 -7.09155797295483 4140507 CC1CC(=CC(=O)O1)NC2=CC=CC=C2N 1 1.171 2 2 0 -5.90102874586466 4140460 CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC(OC)OC 1 1.218 3 6 0 -22.6880934703894 4140223 CCOC(=O)CCSC1=NC2=C(C=C(C=C2)C)C(=N1)C 1 3.523 2 2 -7.48934071231764 4140169 COC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 0.774 2 7 0 -16.6980436720763 4140078 CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)N3CCCC4=CC=CC=C43)C 1 4.928 3 1 -10.432155557861 4140048 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)C3=NC=CN3C 1 1.024 3 4 0 -19.7680432227098 4139914 COC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NC=NN4)N)C#N 1 1.273 6 2 0 -22.1396569468851 4139910 CCN(CC)CCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCC(CC3)C 1 1.07 5 4 0 -31.3272700721663 4139839 CC1=C(C(=O)OC2=CC(=CC(=C12)OC(C)C(=O)OC)OC(C)C(=O)OC)Cl 1 3.064 0 8 0 -13.1672522077383 4139834 CC1(CC2CC(C1)(CN2C(=O)C3=NOC(=C3)C4=CC=C(C=C4)F)C)C 1 4.183 2 2 -8.77854278673515 4139808 C1CCC(=CC1)CCNC(=O)COC(=O)COC2=CC(=CC=C2)F 1 3.113 1 4 -13.4349616251298 4139806 CC(=NNC(=O)C1CC1)C2=CC=C(C=C2)C(C)(C)C 1 3.157 2 1 -5.54802158178854 4139790 CC(C)N1C(CCC1=O)C(=O)NCC2=CC=CS2 1 1.08 2 2 0 -15.5708977255328 4139750 C1COC2(C3=CC=CC=C3N(C2=O)CC4=C(C=C(C=C4)F)Cl)OC1 1 3.241 1 3 -4.62955153601335 4139728 CC1=CCC(CC1=NNC(=O)CCCNC2=CC=CC(=C2)C)C(=C)C 1 4.311 3 1 -8.25273093060262 4139727 C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)NC3=CC(=C(C=C3)F)F 1 2.593 2 3 -3.8662910640544 4139726 C1=CC=C(C(=C1)CCNC(=O)CN2C3=CC=CC=C3OC2=O)Cl 1 3.175 2 3 -10.8595778311087 4139722 CCN(C1=CC=CC(=C1)C)C(=O)CN2C3=CC=CC=C3OC2=O 1 3.223 2 3 -7.10882506464392 4139720 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CN3C4=CC=CC=C4OC3=O 1 2.424 3 4 0 -1.96792301395829 4139649 CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CN=CC=C3 1 1.281 3 3 0 -9.922029135611 4139625 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCCl 1 2.531 2 3 -18.8401942895485 4139598 CC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-])NC(=O)C 1 2.894 3 4 0 -5.52189901136355 4139522 CC(C1CC2CCC1C2)NC(=O)CSC(C)C(=O)O 1 2.062 1 3 -10.9438142535963 4139499 CCC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2C)SC(C3)C 1 1.367 5 2 0 -23.2976206447679 4139356 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(C=CC(=C3)O)Cl)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 4.208 4 3 0 -8.03601563378071 4139291 COC(=O)C1=CC(=O)N(C(=NC2=CC=C(C=C2)F)S1)CCC3=CC=CC=C3 1 4.432 2 3 -2.43897858049343 4139290 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CN=C4N(C3=O)CCS4 1 1.376 5 4 0 -11.5855130085695 4139253 CC1CCCC(N1CC(C)OC(=O)C2=CC=CC=C2Cl)C 1 4.538 1 2 -8.30133663603793 4139234 CC1=CC=CC=C1CS(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC(=CC=C3)OC 1 3.681 1 5 -10.1292918832407 4139232 CC1=CC=CC=C1CS(=O)(=O)CC2=CC=C(O2)C(=O)NCCC3=CC=CC=C3 1 4.018 1 4 -9.86848064755372 4139228 CC1CC(CN(C1)CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3C)C 1 3.87 2 4 -14.5233223119054 4139212 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3CCCCC3 1 3.477 2 5 0 -15.6694577032053 4139196 CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)OCC)CC3=CC(=O)NC(=O)N3 1 2.28 5 5 0 -20.6155970991927 4139193 CCC1C(=O)N(C(=O)C(S1)CC)CC(=O)NCC2=CC=C(C=C2)F 1 2.395 2 3 -12.1834170768258 4139161 C1C2=C(N(N=C2CS1(=O)=O)C3=CC=CC=C3)NC(=O)C4=CC=CO4 1 1.862 3 4 0 -5.59062533171369 4139133 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3OC 1 3.102 5 4 0 -15.2402660456709 4139011 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O 1 0.752 2 7 0 -17.4552743461174 4139010 C1CN2CCC1C(C2)NC(=O)C3=CC(=C(C4=C3N=CN4)[N+](=O)[O-])Cl 1 1.648 5 3 0 3.11524871279742 4138998 CC1=CC(=C(C=C1NC(=O)CSC2=NC=CC(=O)N2)OC)[N+](=O)[O-] 1 1.454 4 5 0 -18.8930561141895 4138997 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)F 1 3.48 1 3 -9.3145068304889 4138996 CCOC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-] 1 3.534 3 6 0 -10.6804498334684 4138939 CC(=O)N1CCN(CC1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC 1 -0.116 3 6 0 -12.7365601381804 4138908 C1COCCN1C(=NS(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3 1 2.549 2 3 -8.13463430935774 4138852 CCNC1=NC(=NC(=N1)NN=CC2=CC=C(C=C2)Br)NCC 1 2.608 7 0 0 -3.81750167438929 4138789 CN1C=CN=C1SCC(=O)C2=CC(=CC=C2)C(F)(F)F 1 3.204 2 1 -2.95179245710386e-002 4138770 COC1=CC=CC(=C1OC)C=NNC2=NC=NC(=C2[N+](=O)[O-])N 1 1.226 6 4 0 -0.470497282534563 4138699 CN(CC1=CC=CC=C1)C(=C(Cl)Cl)C(=C2NCCN2)[N+](=O)[O-] 1 2.204 4 2 -6.535592193114 4138624 CN1C=C(C2=CC=CC=C21)C(=O)NP(=O)(N3CCOCC3)N4CCOCC4 1 1.e-003 4 4 0 -6.32137697021198 4138565 CC1=CC(=NN1CCCC(=O)O)[N+](=O)[O-] 1 1.109 3 4 0 -15.6261601303235 4138535 CCCCCCNC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)C 1 2.776 2 3 -18.1170460113872 4138525 CC1CCCC(C1C)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 3.226 2 3 -14.5284731487002 4138499 C1COCCN1C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.008 2 3 -7.02451264423617 4138479 CC1=C(C=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=CS4)C 1 3.393 3 3 -4.7089552412383 4138425 C1=CC(=CC=C1CCNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)Cl 1 3.366 2 3 -12.5840289138506 4138424 CCCCNC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Br 1 2.126 2 3 -17.4982663051309 4138417 C1CN(CCN1CC2=CC=CC=C2)C(=O)C(=O)C3=CNC4=CC=CC=C43 1 2.964 3 2 -1.29033177091844 4138395 C1CC(=NNC(=O)CNC2=CC=C(C=C2)F)C3=CC=CC=C31 1 2.855 3 1 -9.19607154214842 4138233 CC1CN(C(CN1C(=O)C2CC2)C)C(=O)C3CC3 1 1.067 2 2 0 -7.9209541102518 4138177 CC1CCCCN1C(=O)C2=CC3=C(S2)N=C4C(=CC=CN4C3=O)C 1 2.57 3 2 -17.4185348745377 4138172 CC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SCC(=O)N)C#N 1 1.122 3 2 0 -29.4369763620458 4138073 CCC12CN3CCN(C1)CC(C3)C2O 1 0.279 2 1 0 -1.31970330472204 4138061 C1C(=NN(C1(C(F)F)O)C(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-])C(F)F 1 1.482 5 5 0 -9.04279572748583 4137958 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=CC=CC=N2 1 1.961 3 6 0 -15.2094513336667 4137955 C1CC(OC1)CNC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCC3CCCO3 1 1.286 3 6 0 -11.9345887785131 4137929 C1CN(CC2=CC=CC=C21)C(=O)C3=CC=NC=C3 1 1.751 2 1 0 -9.08258128071567 4137775 CC1=CC=CC2=NC(=CC(=O)N12)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC(=CC=C5)Cl 1 3.304 6 2 0 -18.4071118738951 4137774 CC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)NC4=CC5=C(C=C4)OCCO5 1 4.493 4 2 -2.2069484029631 4137760 CC1=NC2=C(S1)C=CC3=C2SC(=N3)NC(=O)CC4=CC=CC5=CC=CC=C54 1 4.527 3 1 -5.12206641460219 4137748 CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)C4=CC=CC=C4F 1 4.243 2 3 -6.73748307608426 4137702 C1CCC(CC1)NC(=O)NNC2=CC=CC=C2[N+](=O)[O-] 1 2.721 4 3 0 -8.64276917733472 4137690 C1=CC=C(C=C1)NC(=O)COC2=NN(C(=O)C=C2)C3=CC=CC=C3 1 2.317 3 3 -6.67095598927884 4137672 C1=CC=C(C(=C1)C(=O)O)SCC2=CN3C=C(C=CC3=N2)Br 1 3.289 2 2 -5.55154705069059 4137647 CCC(C(=O)NC1=NN=C(S1)C2=CC=CC=C2Cl)SC3=NN=CN3C 1 3.191 6 1 0 -17.2557359202184 4137614 C1CN(CCC12OCCO2)C(=O)C3=CC=CN4C3=NC5=CC=CC=C5C4=O 1 0.776 3 4 0 -16.7607609157853 4137608 C1CCN(CC1)C(=C(Cl)Cl)C(=C2SCCS2)[N+](=O)[O-] 1 3.56 2 2 0.416415812827155 4137592 CC(C)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=S)N2 1 4.243 2 1 -23.9253844296115 4137577 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O)N3CCOCC3 1 2.554 2 6 0 -25.5170556540203 4137576 COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCC2CCCC2 1 2.891 1 5 -17.5826304723838 4137571 CC1=C(C=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3)[N+](=O)[O-] 1 3.119 5 3 0 -15.241129070189 4137531 C1C(=NN(C1(C(F)F)O)C(=O)C2=CC=CC=C2N3C=CC=C3)C(F)F 1 2.757 3 2 -3.90157047601917 4137521 C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 4.256 5 1 -10.4247015292824 4137422 C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2Br 1 3.072 1 3 -9.60787940353269 4137407 CC1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C)C(=O)NC4=CC5=C(C=C4)OCCO5)C 1 4.286 4 3 0 -16.6583304259853 4137406 CC1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C)C(=O)NC4=CC=C(C=C4)C(F)(F)F)C 1 5.442 4 1 -8.6606928198227 4137288 C1CC2CC3CC1CC(C2)(C3)C4=CSC(=N4)N 1 3.374 2 0 10.9148627578696 4137233 CC1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C)C(=O)NC4=CC=CC=C4C(F)(F)F)C 1 5.442 4 1 -13.0276355789423 4137230 CC1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C)C(=O)NC4=C(C=CC(=C4)F)C)C 1 5.192 4 1 -13.2849634015503 4137223 CC1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C)C(=O)NC4=CC(=C(C=C4)C)F)C 1 5.192 4 1 -10.7013489754986 4137221 CC1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C)C(=O)NC4=CC=CC(=C4)C(F)(F)F)C 1 5.442 4 1 -7.89064711753026 4137125 COC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 1 1.255 4 7 0 -22.4426562422602 4137044 C1C(N(N=C1C2=CC=CC=C2)C(=O)CN3C4C(C(=O)N(C4=O)C5=CC=CC=C5)N=N3)C6=CC=C(C=C6)[N+](=O)[O-] 1 3.371 7 5 0 -10.81772064232 4137008 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=C(O3)C4=CC=C(C=C4)Br)O 1 4.42 2 3 -1.1621882882618 4136965 CCOC(=O)C1=C(N(C(=NC(=O)C2=C(C=CC=C2F)F)S1)C)C 1 3.07 2 3 -11.5106041831923 4136929 COC1=CC2=NC3=C(C=CC=C3OC)N=C2C=C1 1 3.026 2 2 0.674127311814109 4136905 CCOC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CN=CC=C4 1 2.405 3 4 0 -15.0065789116574 4136791 CCC1CCCCN1C(=O)C2=C(C3=C(N=C(N=C3S2)C)N(CC)CC)C 1 4.476 4 1 -16.8012403197656 4136788 CC1=CC(=NC2=C1C(=C(S2)S(=O)C3=CC=C(C=C3)C(C)(C)C)N)C 1 4.294 2 1 6.46026463367066 4136784 CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NCCC4=CC(=C(C=C4)OC)OC)Cl 1 4.464 5 4 0 -28.1502413467192 4136679 CC12CC3CC(C1)(CC(C3)(C2)C(=O)NCC4=CC=CO4)C 1 3.106 1 2 -8.75822104047327 4136475 CN1CCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])CC1 1 0.642 5 5 0 -18.3130747772963 4136422 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=NN3 1 2.003 5 3 0 -21.0307764165581 4136416 COC1=CC=CC=C1C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)Cl 1 3.115 3 4 0 -5.67689865874499 4136409 CC1=CC(=CC=C1)CSC2=C(C=CC=N2)C(=O)O 1 3.459 1 2 -8.31130267133736 4136404 C1=CC(=CC(=C1)Cl)CSC2=C(C=CC=N2)C(=O)O 1 3.638 1 2 -7.14385973505975 4136287 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 3.923 3 4 0 -15.9694303163097 4136345 CCOC(=O)C1=C(NC2=C(C1C3=CN(N=C3C4=CC=CC=C4)CC5=C(C=C(C=C5)Cl)Cl)C(=O)CCC2)C 1 5.967 3 3 -31.7452333771143 4136324 COC1=CC(=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)[N+](=O)[O-])OC 1 2.701 4 4 0 1.57529628105951 4136323 C1COC2=C(O1)C=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)[N+](=O)[O-] 1 2.52 4 4 0 0.660820513833032 4134237 CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2 1 2.877 3 1 -8.43829553734668 4134175 CC1=NN(C(=C1Br)C(=O)N2C(CC(=N2)C(F)F)(C(F)F)O)C 1 1.853 4 2 0 -3.3006622833312 4134110 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=CC(=C3)F)F 1 4.082 1 1 -6.87987394524667 4134092 COC1=C(C=C(C=C1)C=NNC(=O)CC(=O)NCCC2=CC=CC=C2)OC 1 2.279 3 4 0 -14.6541125910657 4134012 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCSCC3=CC=CC=C3Cl 1 4.85 2 1 -3.63640793800094 4134006 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=NS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F)Cl 1 5.367 3 5 0 -7.97813403308642 4133935 CCOC1=C(C=CC=N1)C(=O)NC2=C(C(=CC=C2)Cl)Cl 1 3.664 2 2 -8.50564682584386 4133908 CCCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CS4 1 3.934 2 5 0 -21.9425783069155 4133879 CN(C)CCNC(=O)C(=O)C1C2=CC=CC=C2NC1=O 1 1.8e-002 3 3 0 -10.7877874825039 4133819 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)N3CC4=CC=CC=C4C3=NC(=O)C5=CC=CC=C5 1 3.087 3 4 0 -21.3161534277763 4133785 CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC3=C(C=CC4=CC=CC=C43)OC2=O 1 4.146 4 6 0 -7.22651510171128 4133724 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)O 1 -0.168 2 7 0 -21.2089205450483 4133680 COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54 1 4.432 3 6 0 -27.4623287521424 4133668 CC1=NC(=C(N1)[N+](=O)[O-])SCC(=O)C2=CC=C(C=C2)Cl 1 2.998 3 3 -4.42135287799611 4133664 C1=CC(=CN=C1)CNC(=S)NC2=CC=C(C=C2)OC(F)F 1 3.75 3 1 -7.43992701661649 4133517 CCC(C)C1=CC=CC=C1NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 4.413 1 6 0 -15.5901462967379 4133447 CCOC1=CC=C(C=C1)C(=O)NN=CC2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.574 3 4 0 -4.13189367452834 4133425 CN1C(=O)C2=C3C(=C(C=C2)Cl)C=CC=C3C1=O 1 2.435 1 2 1.95836692801928 4133303 COC1=CC=C(C=C1)N2C=C(N=C2SC)C3=CC=CC=C3 1 4.513 2 1 3.89592444011576 4133271 COC(=O)C1=CC=CC=C1SC2CC(=O)N(C2=O)C3=CC=CC=C3 1 2.923 1 4 -3.33302098653091 4133200 CN(C1CCCCC1)C(=O)CCN2C3=CC=CC=C3OC2=S 1 4.437 2 2 -8.87197170796397 4133130 CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)NCC2CCCO2 1 3.218 1 4 -19.7157044107464 4133077 CCC(C)NC1=NC(=NC(=N1)Cl)N(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N 1 2.27 7 3 0 -6.17227415230004 4133064 C1CCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])O 1 2.672 3 8 0 -11.9497560377004 4133029 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=O)C5=C(C=CS5)NC4=O 1 2.636 3 3 -11.9670094532194 4133003 CCOC(=O)C1=CSC(=N1)NC(=O)C2=COCCO2 1 0.158 2 5 0 -10.609482598702 4132952 CCOP1(=O)OCC2C(O1)C(C(O2)N3C=NC4=C3N=CN=C4N)O 1 -1.167 5 6 0 -8.08795729135784 4132924 CCOC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=C(C(=C(C=C2)Cl)Cl)Cl 1 4.692 2 3 -3.49960490530737 4132773 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)CNC(=O)C2=CC=CO2 1 1.399 2 7 0 -22.4165298757087 4132765 COC1=CC2=CC=CC=C2C=C1C(=O)NC3=NN=C(O3)C4=CC=NC=C4 1 2.196 4 3 0 -2.01482827111634 4132674 C1CCC(=CC1)CCNC(=O)C2C3CCC(C3)C2C(=O)O 1 2.688 1 3 -12.2632292244501 4132510 C1C(OC2=CC=CC=C2C1=NNC3=C(C=C(C=C3)F)F)C4=CC=CC=C4 1 5.37 2 1 2.73220024998348 4132495 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O 1 4.272 1 5 -9.88906939385523 4132435 COC1=C(C=CC(=C1)C=NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCCC4)OCC(=O)O 1 3.311 7 4 0 -12.9983233451043 4132384 CS(=O)(=O)NNP(=O)(NC(=O)C1=CC=C(C=C1)Br)NNS(=O)(=O)C 1 -1.618 5 6 0 -7.92678331612192 4132357 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4 1 1.578 4 4 0 -8.37825758962646 4132348 CC(C)OCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4 1 3.359 3 5 0 -16.8658416694654 4132267 CSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.976 4 4 0 -28.2494573232696 4132238 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)C2=NC=CN2C)Cl 1 2.213 3 3 -11.5571053680612 4132236 C1=CC(=CN=C1)C=NNC2=CC=C(C=C2)Cl 1 2.962 3 0 3.78719598217957 4132230 C1=CC=C(C=C1)CCNC(=O)CN2C(=O)C3=C(NC2=S)N=CC=C3 1 2.495 4 2 -12.5955779678871 4132223 CC1=NC2=C(N1C3=CC(=C(C=C3)F)F)C=CC(=C2)C(=O)NCC(OC)OC 1 2.945 3 3 -10.6267750282204 4132205 CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCCCC4)Cl 1 5.141 4 2 -18.5655196984415 4132199 C1CCN(CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4 1 3.998 4 2 -23.8556670794918 4132157 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)OCC 1 3.168 2 4 -6.18713514724606 4132122 CCOC(CNC(=O)C1=CC2=C(C=C1)N(C(=N2)C)C3=CC(=CC=C3)F)OCC 1 3.437 3 3 -6.63627247511853 4132119 CC1=NC2=C(N1C3=CC(=CC=C3)F)C=CC(=C2)C(=O)NCC(OC)OC 1 2.74 3 3 -9.01377425837277 4132087 CC1=C(C=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)F)[N+](=O)[O-] 1 3.832 3 4 0 -21.0279288474425 4132068 COC1=C(C=C(C=C1)Br)C2NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=NC=C4 1 3.069 4 3 0 -8.85047812442549 4132053 COC1=C(C(=CC(=C1)CNC2=CC3=C(C=C2)NC(=O)N3)Cl)OCC=C 1 3.333 3 3 -16.498640551568 4132038 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC3=CC=CC=C3F 1 3.175 2 4 -19.4848456389068 4131957 CC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])N 1 2.323 4 3 0 0.24903755870475 4131790 CC1CCCC(C1C)NC(=O)CSC2CCCCC2 1 4.142 1 1 -11.0735813352692 4131756 CC1=C(C(NC(=O)N1)C2=C(C=CC=C2F)F)C(=O)N3CCOCC3 1 0.722 3 3 0 -27.8764352836042 4131689 CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)N3C(=O)C4C5CCC(C5)C4C3=O)Cl 1 3.379 2 3 -11.0966291385225 4131688 CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)N3C(=O)C4C5CCC(C5)C4C3=O)Cl 1 3.446 2 3 -9.32300141899793 4131687 C1CC2CC1C3C2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(=O)N5CCN(CC5)C6=CC=CC=C6F 1 4.045 3 3 -3.49444485125462 4131686 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)N4C(=O)C5C6CCC(C6)C5C4=O)Cl 1 3.823 3 4 0 -4.65522785614091 4131685 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CC(=C3)N4C(=O)C5C6CCC(C6)C5C4=O)Cl 1 3.823 3 4 0 -6.26162032138688 4131684 C1CC2CC1C3C2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(=O)N5CCN(CC5)C6=CC=C(C=C6)F 1 4.045 3 3 -3.53038462153152 4131676 C1CC2CC1C3C2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(=O)N5CCN(CC5)C6=CC=CC=C6 1 3.839 3 3 -4.503564842139 4131649 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2(CCCC2)C3=CC=C(C=C3)F 1 3.586 2 4 -11.017936355656 4131645 CC1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.058 2 3 -19.9827139614715 4131526 CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C(C)(C)C 1 3.645 3 5 0 -10.6737895309965 4131498 C1CCCC(=NNC(=O)C2=CN=CC=C2)CC1 1 1.713 3 1 0 -10.4968039604111 4131464 C1CCCN(CC1)C(=O)C2=C(C=CC(=C2)N3C(=O)C4C5CCC(C5)C4C3=O)Cl 1 3.583 2 3 -8.33763372618828 4131243 CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl 1 3.712 3 4 0 1.04455636122706 4131228 CCN1CCCC1CNC(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl 1 4.526 3 4 0 -9.38487368503451 4131165 C1CCC(CC1)NC(=S)N2CCN3C=CC=C3C2C4=CC=NC=C4 1 4.4 4 0 -14.6409038184507 4131121 CCC1CCCCN1C(=O)C2=CC3=C(S2)N=C4C(=CC=CN4C3=O)C 1 3.094 3 2 -17.9819925112466 4131007 C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl 1 3.771 2 5 0 -4.8594286865066 4131002 C1=CSC(=C1)C(=O)NOC(=O)C2=C(C=CC(=C2)Br)Cl 1 3.698 1 3 -2.98132369850551 4130990 CC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SC(C)C3=CC=CC=C3 1 4.458 2 2 -13.2547822636729 4130922 CN1C=CN=C1SCC(=O)C2=CC(=CC=C2)Br 1 3.01 2 1 -2.73947803951902 4130906 CC1=CC(=CC=C1)N2C(=O)C(NC2=S)CC3=CC=CC=C3 1 4.242 2 1 -1.02250783157341 4130851 COC1=C(C=CC(=C1)C=NNC2=CC(=C(C=C2)Cl)C(=O)O)OC(=O)C3=CC=C(C=C3)F 1 5.364 2 5 0 -9.04570094312458 4130829 COC1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2NS(=O)(=O)C4=CC=CC=C4 1 3.174 3 4 0 -8.86374979773907 4130828 C1CSC(N1C(=S)NC2=CC=C(C=C2)F)C3=CC=CS3 1 5.428 2 0 -15.0212582186992 4130759 C1COC(=CO1)C2=NN=C(O2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 0.263 4 6 0 -9.57650897833898 4130590 CCN(CC)C(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CC(CC(C3)C)C)C 1 3.695 2 4 -12.8669950797862 4130558 CCC1=NN=C(S1)NC(=O)CSC2=NC=CN2C3=CC(=CC(=C3)C)C 1 3.593 5 1 -14.6598376593021 4130529 CC1=CC(=C(C(=C1)C)S(=O)(=O)N=C2C=CC(=O)C(=C2)Cl)C 1 3.281 1 3 -2.72258944891733 4130521 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC=C2Cl)C3=CC=CO3 1 3.211 3 4 0 -9.08690274190216 4130492 CN1C=CN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2 1 3.17 2 1 -0.478310625969943 4130490 CC(=O)C1=CN(C(=O)N(C1=O)C)C2C3C(C(O2)CO)OC(O3)(C)C 1 -1.819 2 7 0 -19.4176949153889 4130454 CCCN(CCC)C(=O)CSC1=C(C=CC=N1)C(=O)O 1 2.4 2 3 -17.8891388265319 4130449 CCC(C)NC(=O)CSC1=C(C=CC=N1)C(=O)O 1 1.699 2 3 0 -21.1016072161632 4130402 C1C(OC2=CC=CC=C2O1)CNC(=O)C3C4C=CC5(C3C(=O)N(C5)CC6=CC=CS6)O4 1 1.318 2 5 0 -5.48673653000524 4130363 CC1=C(C(=NC2=NC(=NN12)SCC(=O)O)C)CC3=C(C=CC=C3Cl)F 1 4.194 4 2 -16.7013944692443 4130360 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)N4CCN(CC4)C 1 0.465 5 4 0 -24.5663891444516 4130356 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)NCC4CCCO4)C 1 3.15 2 5 0 -16.7574965872 4130264 CC1(C2(CCC1(C(C2=O)Br)C(=O)NCC3=CC=CC=C3Cl)C)C 1 3.948 1 2 -9.6075962418343 4130208 CC1CCCCN1CCCNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.744 4 5 0 -32.9094007716801 4130183 CC1=C(C(=NC2=C(C=NN12)C(=O)NCC3=CC=CS3)C)CC4=CC=C(C=C4)F 1 3.379 4 1 -18.8121406236381 4130155 CC1=C(C(=NN1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl)C)[N+](=O)[O-] 1 1.22 5 5 0 -14.9309374373717 4130149 C1=CC2=C(C(=C1)S(=O)(=O)NC3=CN=CC=C3)N=CC=C2 1 1.353 3 2 0 -6.80005554223479 4130091 CC1=CC(=C(C=C1)C)NC(=O)C2=CN=C3N(C2=O)CCS3 1 2.196 3 2 -13.4212004897398 4130088 C1CSC2=NC=C(C(=O)N21)C(=O)NC3=CC4=C(C=C3)OCCO4 1 1.009 3 4 0 -16.1347393196524 4130027 CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCC4(CC3)OCCO4 1 3.934 2 3 -10.004058466581 4129980 CCCCOC1=CC=C(C=C1)C(C)NC(=O)CCS(=O)(=O)CC2=CC(=CC=C2)Cl 1 4.608 1 4 -13.0607810682374 4129978 CCCCOC1=CC=C(C=C1)C(C)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2F 1 4.149 1 4 -16.6330644558677 4129976 C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.989 2 4 0 -16.9737626806048 4129975 CC1=CC=C(C=C1)CCNC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 3.028 2 2 -15.8144222548465 4129974 C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)NCCC3=CC=C(C=C3)Cl 1 3.206 2 2 -13.9924235642597 4129908 CCOC1=CC=C(C=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C 1 3.308 1 3 -9.63953979258451 4129884 CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCOCC3 1 3.557 2 2 -9.48149394215548 4129845 CCCCNC(=O)C1CC(=O)N(C1)CCC2=CC=CC=C2 1 1.966 2 2 0 -18.4928281662755 4129844 CCOCCCNC(=O)C1CC(=O)N(C1)CCC2=CC=CC=C2 1 0.918 2 3 0 -21.3497785842286 4129843 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4 1 2.678 3 2 -9.3877837901951 4129842 CC(C)OCCCNC(=O)C1CC(=O)N(C1)CCC2=CC=CC=C2 1 1.295 2 3 0 -21.1000744936877 4129801 CC1=CC=C(C=C1)S(=O)(=O)NC2C(C3=CC=CC4=C3C2=CC=C4)SC5=NN=CN5C 1 3.832 4 2 -10.7366444549797 4129580 CCCCOC1=CC=C(C=C1)C(=O)NNC(=O)C2C3CCC(C3)C2C(=O)O 1 2.506 2 5 0 -9.84634372712558 4129464 CC1=C(SC=C1C2=NNC(=S)N2C(C)C3=CC=CC=C3)C 1 4.356 3 0 -5.50858868267335 4129453 CC1CCCCN1C(=O)C2=C(C=NN2C)[N+](=O)[O-] 1 1.374 4 3 0 -10.3870955982771 4129448 CCCCNC(=S)NNC(=O)C1=CSC(=C1)CC 1 3.222 3 1 -14.9542668446261 4129445 CC(CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O)CC(=O)O 1 1.156 2 6 0 -7.49899079928046 4129433 CN1C=C(N=C2C1=NC(=O)N(C2=O)C3=CC=CC=C3)C=NO 1 0.474 5 3 0 1.40936689479248 4129353 CC1=CC=C(C=C1)S(=O)(=O)N2CC3(CC(C2)(CN(C3)S(=O)(=O)C4=CC=C(C=C4)C)C)C 1 3.504 2 4 -10.2505116759898 4129292 CC1=CC(=O)C(=C(O1)O)C(C[N+](=O)[O-])C2=CC=C(C=C2)Cl 1 3.097 1 5 -2.9002855321775 4129288 C1=CC(=CC=C1C2=CC=C(O2)C=NNC3=CC=C(C=C3)C(=O)O)Br 1 5.032 2 3 2.53391362759367 4129269 C1CN(CCC12OCCO2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=CC(=CC=C4)F 1 2.207 2 5 0 -18.6453985085762 4129203 CCC(C1=CC=CC=C1)NC(=O)C2CCC2 1 3.072 1 1 -5.84471865113218 4129168 CC1=CC2=CC=CC=C2N1CCNC(=O)COC3=CC=CC=C3 1 3.166 2 2 -13.0260803734994 4129162 CCCCN=C(C(=O)OCC)NNC1=CC=C(C=C1)Br 1 3.66 3 2 -3.56341677864443 4129119 CC1=CSC2=NC=C(C(=O)N12)C(=O)NC3=CC=CC=C3F 1 1.345 3 2 0 -12.2086201557748 4129114 C1=CC=C(C(=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)F 1 3.056 4 3 0 -19.2140550398237 4129063 COC1=CC=C(C=C1)C(=O)OCC(=O)NCC2CCCO2 1 1.087 1 5 0 -17.0597330643032 4129028 CC1CC2=CC=CC=C2N1C(=O)C3=CN=C4N(C3=O)C(=CS4)C 1 1.798 3 2 0 -14.3552722419089 4128964 COC1=CC=CC=C1NC(C2=CN=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O 1 3.611 3 2 -3.60397522289697 4128901 C1CC(CN(C1)CC#N)C(=O)N 1 -0.34 3 1 0 -5.99488434930696e-002 4128885 COC1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 4.193 1 3 -6.32188855514092 4128792 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NC3CC3 1 2.596 1 4 -12.8687904381144 4128787 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=C(C=C3)OC 1 3.674 1 5 -13.7811971882544 4128785 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCCCN(C)CC3=CC=CC=C3 1 3.891 2 4 -10.8807230211545 4128655 C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC=C(O3)Br)C4=CC=CC=C4 1 3.957 2 3 -19.2515585773353 4128612 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CNC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C 1 1.39 5 4 0 -25.1553403358466 4128565 CCCN1C=C(C2=CC=CC=C21)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 4.148 2 3 -14.6165219792673 4128519 CCC1=CC=C(C=C1)C(C)NC(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C 1 1.585 5 3 0 -19.1496000921063 4128384 CC(C)(C)C1CC=C2C(C1)C3(C4=CC=CC=C4N(C3=O)C)C(=C(C2(C#N)C#N)N)C#N 1 2.303 5 1 -3.18412594244859 4128371 CC1=NN=C(S1)NC(=O)C2=C(C=CC=C2F)F 1 1.76 3 1 0 -12.7873933277978 4128302 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=NS2)SC 1 2.061 4 2 -13.289139691973 4128251 COC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)N3C(=O)C4C5CCC(C5)C4C3=O)Cl 1 3.564 2 4 -9.67674835050346 4128248 COC1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C(=O)C4C5CCC(C5)C4C3=O)Cl)OC 1 3.548 2 5 0 -10.8535498113509 4128245 C1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4 1 3.124 2 3 -10.4115868894599 4128243 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=CC=C3)N4C(=O)C5CC=CCC5C4=O 1 3.532 2 3 -11.1219270804659 4128198 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=C4 1 1.615 4 4 0 -11.587200788037 4128078 CCN1CCN(CC1)CCN2C(=O)C3=C(NC2=S)N=CC=C3 1 1.975 5 1 0 -4.86471939609661 4128065 CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)N3C(=O)C4CC=CCC4C3=O 1 3.008 2 3 -7.44308293298816 4128031 CCN(CC)CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=NN=C(S3)C 1 3.452 5 1 -15.1726656378664 4128029 CCN(CC)CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=NN=C(S3)C 1 3.515 5 1 -16.7307034132226 4128025 CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=CC=C3)OC 1 3.322 2 4 -15.120751730238 4128012 COC1=CC=C(C=C1)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 4.421 3 3 -7.22511013531667 4127906 COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)Br)OC 1 3.041 2 4 -15.6257850486777 4127777 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)C2=CC(=C(C=C2)OC)OC 1 3.313 0 5 -13.0777021866707 4127759 CC1=C(C(=CC=C1)C)NC(=O)CC(C(=O)O)NCCC2=CC=CC=C2 1 0.458 2 3 0 -12.3853107621074 4127757 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NCCS3)C4=CC=C(C=C4)Br 1 5.029 3 2 -13.843490755328 4127755 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)N=C3C4=CC=CC=C4C(=N3)N 1 1.352 4 3 0 -12.8094832875164 4127730 CC1=CC(=NC(=N1)NN=C(C2=CC=CC=C2)C3=CC=CC=C3)C 1 3.763 4 0 -5.70148408555357 4127715 CC(=O)NC1=CC=C(C=C1)N2C(SCC2=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.254 3 4 0 -18.0581915993227 4127640 C1CC1C2=NN(C(C2)(C(F)(F)F)O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.463 3 4 0 -3.75211535745838 4127627 C1CN(C(=N1)SCC2=CC=CC=C2)C(=O)COC3=CC=CC=C3 1 3.727 2 2 -12.4849699219755 4127626 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F 1 2.081 4 5 0 -25.8650101623749 4127597 C1C(=NNC(=O)S1)CSC2=NNC(=S)S2 1 2.537 4 1 -9.57650283273007 4127473 CC1=CC(=NO1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C 1 0.548 6 4 0 -29.5936172329731 4127380 CC1=CC=C(S1)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3=C(OC=C3)C 1 2.796 3 3 -7.78265621402113 4127344 C1C(=O)NC2=C(C=C(C=C2)F)C(N1C(=O)C3=CC4=CC=CC=C4OC3=O)C5=CC=C(C=C5)F 1 3.687 2 4 -22.6739435855863 4127214 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 4.712 1 2 -5.59447234445955 4127197 CC(=NNC(=S)NCCC1=CC=CC=C1)CCC2=CC=CC=C2 1 4.598 3 0 -10.4315464170965 4127051 COC1=C(C2=NC3=CC=CC=C3N=C2C=C1)NC(=O)C4=CC=C(C=C4)Br 1 4.576 3 2 -3.1509838907867 4127022 CC1CCN(CC1)CCCNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCC(CC4)C 1 2.099 4 4 0 -30.1933369571572 4126987 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NN=C2C(=O)CCCC2=O 1 1.828 3 4 0 -17.7643049249341 4126901 CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCCC(=O)NC3=CC=C(C=C3)OC)C#N 1 4.436 3 3 -22.4804882959896 4126857 CSC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C4COC5=CC=CC=C5O4 1 4.18 3 3 -4.87405478158343 4126846 CC1=CC(=NC(=N1)NN=CC2=CC(=CC=C2)Cl)C 1 2.783 4 0 -0.600040122578021 4126780 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)O 1 3.042 4 4 0 -11.8642160690967 4126666 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN=C2SCC3=CC=CC=C3 1 3.009 3 3 -17.2098618198603 4126664 COC1=CC=CC=C1C(=O)N2C(CC(=N2)C3=CC=C(C=C3)NS(=O)(=O)C)C4=CC=CS4 1 3.157 3 4 0 -15.6605692817021 4126654 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=NOC(=C3)C)CCOC 1 0.973 4 4 0 -28.1812114893587 4126624 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)CC3=CC=C(C=C3)OC 1 1.84 3 4 0 -9.43217995636256 4126493 C1C2=C(C3=C(S1)C=CC(=C3)Cl)N(C4=CC=CC=C24)CC(=O)O 1 4.58 1 2 -0.95626171095001 4126340 CCCCN(CCCC)CC1=CC=C(O1)C(=O)NN 1 2.544 3 2 -4.33268292981985 4126174 CC1=CC=C(C=C1)C(C)NC(=O)C2=CN=CC=C2 1 2.334 2 1 -9.3840772052804 4126175 CC1=CC=C(C=C1)C(C)NC(=O)C2=CC=CO2 1 2.88 1 2 -5.94996892604948 4126139 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=CC=C(C=C2)SC(F)F 1 4.682 1 6 0 -15.5641806719115 4126138 CC1CN(CC(O1)C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.952 2 6 0 -15.4288698153644 4126068 CC1=C(C2=CC=CC=C2N1)C(C(=O)OC)(C(F)(F)F)O 1 2.477 1 3 -2.94825629734625 4126032 CC1=CC2=C(S1)N=CN(C2=O)CC(=O)NCC(=O)NC3=CC=C(C=C3)C(C)C 1 1.778 4 3 0 -15.8663183122571 4126029 CC1=CC2=C(S1)N=CN(C2=O)CC(=O)NCC(=O)NC3=C(C=CC(=C3)OC)OC 1 0.551 4 5 0 -18.9509263386445 4126024 C1=CC=C(C=C1)C2=C(C=NN2)C3NC4=CC=CC=C4C(=O)N3O 1 2.715 4 2 -5.12690132020376 4126010 CCOC1=CC=C(C=C1)N(CC(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C(=O)N3C)C 1 1.195 3 7 0 -17.0868555870342 4125941 COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCO2)[N+](=O)[O-] 1 0.981 2 7 0 -22.6871291514907 4125896 CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C=C(C=C3)Cl)F)C 1 4.362 2 3 -16.3293675619391 4125870 CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CS5 1 5.626 5 1 -5.97552634622962 4125868 C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=NO3)C4=CC=C(C=C4)Cl)CC5=CC=CS5 1 5.804 5 1 -4.1535276556428 4125763 C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.069 4 6 0 -20.1511586364009 4125742 CCCN1C2=C(C=C(C=C2)C(=O)O)C3=CC=CC=C31 1 4.031 1 2 1.85894198045051 4125628 CC1CCCCN1C2=C3C(=C(SC3=NC(=N2)C)C(=O)NC4=CC=CC=C4C(F)(F)F)C 1 5.568 4 1 -14.7772600358248 4125624 CC1CCCCN1C2=C3C(=C(SC3=NC(=N2)C)C(=O)NC4=C(C=CC(=C4)F)C)C 1 5.317 4 1 -15.0345878584329 4125549 CC1N(CCN1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C 1 0.81 2 3 0 -13.5888149871775 4125548 CC1N(CCN1S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C 1 0.601 2 4 0 -12.4606276629365 4125526 CC1=CC=CC=C1C(=O)NC(C(=O)OC)(C(F)(F)F)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.734 4 7 0 -21.3406284862174 4125480 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=N4)C(=O)NC5=CC(=C(C=C5)OC)OC 1 2.556 6 5 0 -23.0075885459281 4125148 C1CC(=O)NC1C(=O)OCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 1.668 2 5 0 -12.2250066441889 4125145 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NCC3=CC=CC=C3 1 1.624 2 6 0 -30.2687359199569 4125118 CC(C)(C)C1=NN=C(N(C1=O)N)NN=CC2=CC=C(C=C2)Br 1 2.794 6 1 0 -3.62170340025174 4125114 C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CC(=O)NCC(=O)NC4=C(C=C(C=C4)F)F 1 2.233 4 3 0 -27.0661663008239 4125096 CC1=CC(=C(C=C1)C)S(=O)(=O)NCC(=O)NCC2=CC=CO2 1 1.538 2 4 0 -16.5552508943489 4125012 CCCCC1C(=O)N=C(S1)NN=CC2=CC=CO2 1 3.266 3 2 -7.3512889073112 4124935 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CN=CC=C2)C 1 1.239 3 3 0 -13.3304659955987 4124908 CC(C)C(=O)N1CC(=O)NC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)F 1 3.122 2 2 -17.828489404588 4124906 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NC4CCCC4 1 4.191 3 4 0 -12.4851878575142 4124903 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCCN4CCOCC4 1 2.677 4 5 0 -15.8155642823233 4124866 CC1=C(C(=CC=C1)C)NC(=S)N(CCOC)C(C)C2=CN=CC=C2 1 4.7 3 1 -12.0593213649307 4124744 CC(C)NC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S 1 3.515 3 4 0 -18.1750182254015 4124689 C1C(OC2=CC=CC=C2O1)C3=NN=C(O3)NC(=O)C4=CC=C(C=C4)F 1 2.433 3 4 0 -2.28091839491178 4124709 CC(C)CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CC3=CC=CC=C3)O 1 3.67 1 3 -15.2033280876243 4124659 C1CCC(CC1)C(=O)NN=CCCC2=CC=CC=C2 1 3.528 2 1 -3.2287168587134 4124611 CCC(=NNC(=S)NCC1=CC=CO1)C 1 1.97 3 1 0 -11.3831347098046 4124628 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 1 3.459 5 1 -23.7782666680624 4124627 C1CCC(CC1)CNC2=C(C=C(C=C2)S(=O)(=O)NC3=NCCCCC3)[N+](=O)[O-] 1 3.845 4 4 0 -12.3699275108882 4124516 C1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=C(C=C3)F)N 1 3.185 3 4 0 -8.7776213030125 4124514 CC1=C(C(=CC=C1)C)NC2=NC=NC(=C2[N+](=O)[O-])N 1 2.162 5 2 0 -1.56077733021837 4124487 CC1=NN(C=C1C(=O)N(C)C23CC4CC(C2)CC(C4)C3)C 1 2.319 3 1 -1.05736337099422 4124442 CC1=CC=C(C=C1)S(=O)(=O)N=S(CC2CC2(Cl)Cl)CC3CC3(Cl)Cl 1 3.917 1 2 0.112077768241077 4124435 C1CCC(C1)NC(=O)C2=CC(=CC=C2)Cl 1 3.104 1 1 -3.58692326003926 4124397 COC1=CC=CC(=C1)N(CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC(=CC(=C5)OC)OC 1 4.423 2 6 0 -8.42896646058696 4124346 CCCCN1C(=NN=C1SC(C)CC)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 4.938 4 1 -18.6020315182982 4124345 CCCCN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C)CNC(=O)C34CC5CC(C3)CC(C5)C4 1 3.059 7 2 0 -30.2622355011339 4124270 CC1=CC(=NC(=N1)NN=C2CCCC2)C 1 1.387 4 0 0 -4.38268596107683 4124220 CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CN=CN2 1 1.37 3 2 0 -2.69074679366936 4124134 CC1=C(C2=CC=CC=C2N1)C(C3=CC=NC=C3)N4CCCCC4 1 3.721 3 0 -2.92040786544667 4124122 COC1=CC(=C(C=C1)N2C(=O)C3=C(N=C2SCC#N)N(C(=S)S3)C4=CC=CC=C4)OC 1 5.69 4 3 0 -14.5903302215829 4123974 C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.77 4 3 0 -12.3618875904557 4123896 CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O)C 1 3.372 3 3 -11.9374572647444 4123767 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=CC=C4F 1 3.718 1 1 -7.13737511760828 4123759 CC1CC2=C(S1)C(=O)N(C(=N2)SC(C)C)C 1 2.056 2 1 -7.91940486192844 4123700 CCOC(=O)C1CCN(CC1)C(C2=CC(=CC=C2)F)C3=C(N4C(=NC(=N4)C)S3)O 1 3.361 4 3 0 -6.0205984275705 4123696 COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)N3CCCC3)OC 1 0.966 4 5 0 -27.5398955538238 4123638 CCOC(=O)N1CCN=C1SCC2=CC=C(C=C2)C(F)(F)F 1 4.162 2 2 -6.65935051905404 4123610 C1=CC=C(C=C1)CN2C(=O)C3=C(NC2=S)N=CC=C3 1 3.114 3 1 -2.32706392000165 4123605 CN1C2=CC=CC=C2C3=C(C1=O)N=C(O3)C4=CC=C(C=C4)OC 1 3.034 2 3 7.8132688690529 4123591 C1CSC2=NC=C(C(=O)N21)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.166 3 2 -7.3670560111974 4123589 CSC1=CC=CC=C1NC(=O)C2=CN=C3N(C2=O)CCS3 1 1.765 3 2 0 -17.2753456876354 4123513 CC(C)(C)C1=CC=C(C=C1)C=NN(C)C2=NCCN2 1 2.7 4 0 -3.43543728434615 4123508 CSC1=NN=CN1N=CC2=CC=CC=C2F 1 2.334 4 0 -1.42947147923318 4123501 C1=CC=C(C=C1)CSC2=NN=CN2N=CC3=C(C=CC(=C3)Cl)F 1 4.582 4 0 -2.32642666168373 4123493 CC1=CC=C(S1)C(=NNC(=O)C(C2=CC=CC=C2)O)C 1 2.145 2 2 -10.9545710006911 4123478 COC1=CC2=C(C=C1)OC(=N)C(=C2)C3=NN=C4N3CCCCC4 1 2.821 4 2 -0.807618294210909 4123400 C1CC(=O)N(C1=O)CC(=O)NC2=NC(=CS2)C3=CC=CC=N3 1 0.271 4 3 0 -5.62889453639074 4123229 C1CCC2=C(C1)C(=C(S2)N)C(=O)NC3CCS(=O)(=O)C3 1 0.968 2 3 0 -14.015001653919 4123225 C1=CC(=CC(=C1)Cl)CCC2=C(N=CC=C2)C#N 1 4.082 2 0 -3.61860239823556 4123188 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OC2CCOC2=O)OCC 1 1.133 1 7 0 -18.2661112285789 4123186 CC1=C(C(NC(=S)N1)C2=CC=CS2)C(=O)OCC(C)C 1 3.391 2 2 -29.5687533146444 4123184 CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O)S(=O)(=O)N5CCOCC5 1 1.529 3 6 0 -17.1856830890417 4123147 C1CCN(CC1)C(=O)CSC2=NN3CCCC(=O)N=C3S2 1 2.305 4 2 -16.5127261990549 4123100 CC1(CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)Cl)C(=O)C1)C 1 2.425 2 2 -23.7887282049124 4123062 CN(C1CCCCC1)C2CCN(CC2)C(=S)NC3=CC(=CC=C3)SC 1 5.559 3 0 -10.0464845986923 4123036 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl 1 4.929 5 3 0 -19.8950139463371 4122851 CC1CCCCC1N(C)C2CCN(CC2)C(=S)NC3=CC(=CC=C3)SC 1 5.878 3 0 -10.2126411618069 4122820 CC1=CC(=C(C=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2)C 1 3.375 1 3 -8.26299160378331 4122761 CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3 1 1.075 3 4 0 -23.4921822379424 4122610 C1=CC=C(C(=C1)C2=C(C(=O)NN2)C(C[N+](=O)[O-])C3=CC(=CC=C3)Cl)O 1 2.565 3 4 0 -1.0541417557767 4122527 CSC1=CC=C(C=C1)C=NNC2=CC(=C(C=C2)Cl)C(=O)O 1 4.284 2 2 -1.69328303113636e-003 4122444 CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=CS2)S1)C)C 1 2.612 2 3 -12.8388846050234 4122398 C1=CC=C(C=C1)CONC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.361 2 4 -2.57059758334754 4122373 CC1=CC(=NO1)NC(=O)C2=C(C=CC=C2Cl)F 1 2.623 2 2 -14.3174175561506 4122371 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N 1 2.365 4 5 0 -18.194099348504 4122247 CCOC(=O)CSCC1=CN2C=C(C=CC2=N1)Cl 1 2.054 2 2 -10.7442725847973 4122242 C1=CC=C2C(=C1)C=C(C(=O)O2)NCC3=CC=CC=C3O 1 2.476 1 3 1.21523346291172 4122240 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N 1 1.373 4 4 0 -18.8561091721698 4122234 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#N 1 0.697 4 4 0 -23.6446232472436 4122232 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#N 1 0.986 4 4 0 -21.786412754391 4122157 C1CN(CCN1CC(=O)C2=CC(=C(C=C2)O)O)C3=CC=CC=C3F 1 2.926 2 3 6.69882069562356 4122147 C1CCC(CC1)CNC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.466 1 3 -10.6401018479405 4122139 C1=CC=NC(=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.91 4 5 0 -8.64397834511352 4122071 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#N 1 2.283 3 2 -13.7922296117703 4122067 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#N 1 1.087 3 4 0 -21.6999969110449 4122065 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#N 1 3.e-003 4 3 0 -21.4495534952657 4122047 CC1=C(C2=C(N1)C=CC(=C2)F)CCN(CC3=CC=CO3)C(=S)NC(C)(C)C 1 5.439 3 1 -9.75282313391487 4122039 C1=CC=C2C(=C1)NC(=N2)CNC(=S)NC3=CC=C(C=C3)OC(F)F 1 4.61 4 1 -4.87617542750782 4121931 CC1=CC(=C(C=C1)C(=O)OCC(=O)NCC2CCCO2)C 1 2.076 1 4 -14.5552848266189 4121863 C1CCC(CC1)NC(=O)CC2=CC=C(C=C2)NC3=NC(=S)NC4=CC=CC=C43 1 4.874 4 1 -10.480830015143 4121860 CC(C)CCNC(=O)CC1=CC=C(C=C1)NC2=NC(=S)NC3=CC=CC=C32 1 4.596 4 1 -15.5541349071959 4121859 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CC3=CSC(=N3)NC4=NC(=S)NC5=CC=CC=C54 1 5.219 6 1 0 9.40442812634821e-002 4121858 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=CSC(=N3)NC4=NC(=S)NC5=CC=CC=C54 1 5.427 6 1 0 -3.39241886792728 4121856 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CC3=CSC(=N3)NC4=NC(=S)NC5=CC=CC=C54 1 4.941 6 1 0 -1.09581184488469 4121801 CC1=CC(=CC=C1)C(C2=C(N(N=C2C)C3=CC=CC=C3)N)C4=C(N(N=C4C)C5=CC=CC=C5)N 1 5.348 6 0 -2.9192931876955 4121792 COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)O 1 2.653 2 3 -1.01143803892518 4121748 COC1=CC=C(C=C1)CNC(=O)CC2=CSC(=N2)NC3=NC(=S)NC4=CC=CC=C43 1 4.009 5 2 0 -10.687106689443 4121671 CC(C)(C)NC(=O)CCN(C1=NS(=O)(=O)C2=CC=CC=C21)N=CC3=CC=C(O3)[N+](=O)[O-] 1 2.124 5 6 0 -13.5783813883103 4121648 C1COC(=CO1)C(=O)NC2=NC(=CS2)C3=CC=CS3 1 1.425 2 3 0 -3.33419722779874 4121616 CC1=C(C=CO1)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3CC3 1 1.791 3 3 0 -7.92661983302133 4121581 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 1.841 3 5 0 -11.76686583907 4121572 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)N3CCC4(CC3)OCCO4 1 1.548 2 5 0 -21.9331881376405 4121374 CCN1C(=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4 1 2.958 4 3 0 -14.0104691977187 4121373 CC(C)(C)C1=CSC(=N1)NC(=O)C2=C(N=CC=C2)Cl 1 3.163 3 1 -2.8602216654623 4121367 C1CC(C2=CC=CC=C2C1)NC(=S)NC(=O)C3=CC=C(C=C3)F 1 4.716 2 1 -7.35456897125987 4121355 CN1C=CN=C1CC(C2=CC=C(C=C2)OC)O 1 1.355 2 2 0 1.10750323235794 4121354 CC1=C(C(=NC(=N1)N(CC(=O)N)S(=O)(=O)C2=CC=CC=C2)OC)Cl 1 1.589 4 4 0 -7.46238377896307 4121322 C1CCC(CC1)NC(=O)NNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.428 3 3 -9.19073914287274 4121298 C1=CSC(=C1)CNC(=O)C2=CN=C3N(C2=O)C=CS3 1 0.373 3 2 0 -18.4374811377755 4121251 CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)O 1 1.545 1 3 0 -10.7882338758389 4121248 CC1=CC(=CC=C1)CSCC2=CC=C(O2)C(=O)O 1 3.551 0 3 -5.68414446794423 4121200 C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N 1 2.395 4 2 -0.592011004688142 4121158 CCOC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1[N+](=O)[O-] 1 4.388 4 4 0 -16.5513339415374 4121127 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N(CC(=O)OC)C2=CC=C(C=C2)C(C)C 1 0.801 3 6 0 -21.744183335263 4121121 CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)OC)C 1 3.909 2 4 -7.10378815359326 4121118 CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)NC3=CC(=CC(=C3)OC)OC)C 1 3.892 2 5 0 -10.2366525182001 4121115 CCOC1=CC=C(C=C1)N(CC(=O)OC)S(=O)(=O)C2=C(ON=C2C)C 1 1.445 2 6 0 -14.1887824559283 4121074 CCOC(=O)N1CCC(=NNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])CC1 1 1.027 4 6 0 -10.9037743940499 4121070 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.261 6 6 0 -32.7462212496996 4121059 CC1=C(C(=CC=C1)C)NC(=O)C(CCS(=O)(=O)C)NC(=O)C 1 0.778 2 4 0 -17.812360006144 4121012 CCCCNC(=O)NCC1=C(N(N=C1)C)C 1 1.077 4 1 0 -9.96636805475267 4120901 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCCC(=O)O 1 2.513 2 5 0 -20.227029182554 4120883 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=NN=C(S3)C)C 1 0.7 5 2 0 -22.1458656989128 4120877 CCC(C(=O)NC1=CC=C(C=C1)Cl)N2CCCC2=O 1 2.143 2 2 -14.0316133526271 4120876 CCCOC1=CC(=C(C=C1)[N+](=O)[O-])N 1 1.833 2 3 0 -1.98895816751942 4120860 CCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCOCC 1 2.959 3 3 -16.7221410765472 4120851 C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C(C5Br)Br 1 3.092 2 3 -7.4757730637192 4120806 CC1=CC=C(C=C1)C(=O)ON=C(C2=CC=CC=C2)C3=CN=CC=C3 1 4.124 2 2 -1.76961848398681 4120738 CC1=CC2=C(N1C)C=CC(=C2)CNC(=S)NC3=CC=C(C=C3)OC 1 4.724 3 1 -8.32608991689755 4120710 CCCCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C 1 2.102 4 2 -14.405295262355 4120672 CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)COCC(F)(F)F)C 1 3.718 0 6 -6.12798039445466 4120630 CC1=CC=C(C=C1)NC(=S)N(CCOC)C(C)C2=CN=CC=C2 1 4.213 3 1 -10.7767758086583 4120628 CCOC1=CC=C(C=C1)NC(=S)N(CCOC)C(C)C2=CN=CC=C2 1 4.06 3 2 -11.8849222208754 4120603 CC(C)CCN1C(C2=CC=CC=C2C1=O)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.645 2 4 -18.0540233581718 4120403 CC1=CC=C(C=C1)SC(=C(Cl)Cl)C(=C2NC3=CC=CC=C3N2)[N+](=O)[O-] 1 5.219 3 2 -0.349335334273691 4120346 CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NN=CC3=CC(=CC=C3)O)[N+](=O)[O-] 1 4.372 4 4 0 -5.00821485741383 4120298 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NCC3CCCO3 1 1.097 3 3 0 -24.9055346897556 4120272 C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5 1 5.797 4 3 0 -17.4259105402298 4120238 CC1CCCCN1C2=C3C(=C(SC3=NC(=N2)C)C(=O)NC4=CC=CC(=C4)C(F)(F)F)C 1 5.568 4 1 -9.64027157441284 4120034 CC1CCCCN1C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC5=C(C=C4)OCCO5)C 1 4.456 4 3 0 -15.6456615339382 4120007 CCOC(=O)CNC(=O)C12CC3CC(C1)CC(C3)C2 1 1.985 1 3 0 -10.5406566788055 4120006 COC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2)OC)OC 1 3.054 1 4 -8.90230081063491 4119996 CC1=CC=C(C=C1)CNC(=O)C2CCC(=O)N2CC3=CC=CC=C3Cl 1 3.347 2 2 -11.3606337377921 4119995 COC1=C(C=C(C=C1)CCNC(=O)C2CCC(=O)N2CC3=CC=CC=C3Cl)OC 1 3.15 2 4 -16.0289679510041 4119992 CC1=CC=C(C=C1)CCNC(=O)C2CCC(=O)N2CC3=CC=C(C=C3)F 1 3.21 2 2 -11.7218698356577 4119957 CCOC1=C(C=C(C=C1)CNC(=O)CCS(=O)(=O)CC2=CC(=CC=C2)Cl)OC 1 3.234 1 5 -17.5917068212233 4119956 COC1=CC(=C(C=C1)CNC(=O)CCS(=O)(=O)CC2=CC(=CC=C2)Cl)OC 1 2.886 1 5 -12.4097000871015 4119955 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCC2=C(C=C(C=C2)OC)OC 1 2.707 1 5 -15.9797616705583 4119952 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCCC2=CCCCC2 1 3.484 1 3 -17.7040049059063 4119951 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCCC2=CC=CC=C2 1 3.061 1 3 -15.1665400604487 4119950 CCOC1=C(C=C(C=C1)CNC(=O)CCS(=O)(=O)CC2=CC=C(C=C2)C)OC 1 3.056 1 5 -21.4432958292903 4119913 CC1=C(SC(=N1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2)C(=O)C 1 1.713 2 4 0 -9.67007073897736 4119841 CC1=CN=C(C=C1)NC(=O)C2=C(NC3=C(C2C4=CN(N=C4)C)C(=O)CCC3)C 1 1.563 5 2 0 -35.6195717781193 4119741 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)NC4=CC=CC=N4 1 4.548 3 1 -2.12415466286228 4119707 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC3=C2CCN(C3=O)CC4=CC=CC=C4C 1 2.846 3 5 0 -12.4784727592338 4119704 C1=CC(=CC(=C1)N=C2C(=CC3=C(O2)C=CC(=C3)Cl)C(=O)N)C(F)(F)F 1 4.306 2 2 6.61435164117129 4119690 CC(C(=O)NC1=C2CSCC2=NN1C3=CC=C(C=C3)OC)Cl 1 2.819 3 2 -2.82286789830104 4119674 CCOC1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCC4=CC=C(C=C4)OC)O 1 3.293 3 5 0 -8.59312414790229 4119631 CC(=NNC1=NC(=CC(=N1)Cl)N)C2=CC(=CC=C2)N 1 1.453 6 0 0 -4.06762008762481 4119575 COC(=O)C1=C(CCS1)NC(=O)C2CCCCC2 1 1.647 1 3 0 -1.88773773260857 4119569 CC1=CC=C(C=C1)C2CC2C(=O)NNC(=S)NC3=CC=C(C=C3)C 1 4.624 3 1 -6.64115783718218 4119511 CCOC1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCC4=CC=CO4)O 1 2.491 3 5 0 -10.2857622686259 4119285 CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC4=C(C=C3)OCCO4 1 3.125 2 5 0 -17.9024933829662 4119256 CC1CCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)OC)OC 1 1.125 5 5 0 -26.0463089167637 4119243 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C 1 0.35 4 5 0 -24.1779380887552 4119232 CCCC(=O)NCCC1=CC2=C(C=CC(=C2NC1=O)C)C 1 2.756 2 2 -19.5250136249782 4119066 C1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(NNC2=O)C3=CC=CC=C3O 1 1.9 3 4 0 -4.92167436547994 4119002 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=C(C)C2=CC=C(C=C2)N3CCOCC3 1 4.029 3 3 -6.58882924820753 4118928 CCCCOCCCN1C(=CC(=C2C(=O)NC(=S)NC2=O)C=C1C)C 1 2.19 3 3 -9.81534293802676 4118927 CC(C1CC2CCC1C2)NC(=O)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.283 2 6 0 -27.2614761031011 4118926 CCOC1=CC=C(C=C1)NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 1.571 2 7 0 -20.8879298129562 4118843 CCC1CCCCN1C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3 1 1.203 5 4 0 -20.3196351489878 4118842 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=CS4)C(=O)N 1 2.627 3 4 0 -22.5405489705454 4118718 CCCN1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCC(CC4)C 1 1.337 5 4 0 -25.2873742306942 4118683 CNS(=O)(=O)C1=C(C=CN=C1)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 2.046 4 2 1.99573024863865 4118671 CC(=NNC1=CC(=C(C=C1)Cl)C(=O)O)C2=CC3=C(C=C2)OCO3 1 3.491 2 4 -5.36684661995231 4118652 CC(C(=O)NN=CC1=COC=C1)OC2=CC=CC=C2[N+](=O)[O-] 1 2.001 3 5 0 -13.1817300140008 4118651 CCOC(=O)C1=C(SC=C1C2=CC=CC3=CC=CC=C32)NC(=O)C4C5CCC(C4C(=O)O)O5 1 3.241 1 6 0 -4.98727150407724 4118650 CC(C)C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC 1 2.56 2 3 -8.28708947133751 4118457 CC1=C(N2C=CC=CC2=N1)C(=O)NN=C3CCN(CC3)C 1 0.63 5 1 0 -5.68595908589812 4118456 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=COCCO3 1 0.934 2 7 0 -22.9247140272829 4118418 CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br 1 2.231 2 3 -18.7230185803436 4118355 CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2Cl 1 5.081 3 2 0.481340995352383 4118336 CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC(OC3=CC=CC=C23)C4=CC=CC=C4 1 4.383 2 3 -0.542678509334033 4136248 CCC1=NN(C(C1)(C(F)(F)F)O)S(=O)(=O)C2=CC=C(C=C2)C 1 2.632 2 3 -4.02331632073343 4118281 C1=CC=C(C=C1)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=C(C=CC=C4F)F 1 5.722 2 1 -14.9753226274803 4118259 C1CCN(CC1)CCNC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.944 3 1 -1.85956884104018 4136223 CC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)C 1 4.603 2 1 -0.978815435369473 4136215 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3CCN(CC3)C(=O)C 1 -0.536 4 5 0 -24.3557046070168 4136214 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)O 1 1.634 4 5 0 -16.1185061137307 4136167 C1CC(CC=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.575 4 1 -6.90422098574179 4118178 CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OC 1 5.767 3 3 -18.6903606798085 4118176 CC1=CC=C(C=C1)C2C3=C(N=C4N2C5=CC=CC=C5NC4=O)N(N=C3C)C6=CC=C(C=C6)[N+](=O)[O-] 1 4.473 6 3 0 -10.4344898977715 4118109 CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC(=C(C=C4)OCC(=O)O)OC)S2)C 1 4.565 2 7 0 -35.3074653344402 4118105 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.235 4 3 0 -4.05901490536519 4118102 CCOP(=O)(NC12CC3CC(C1)CC(C3)C2)NC45CC6CC(C4)CC(C6)C5 1 3.361 2 2 -2.67756751524682 4118086 COC1=CC=CC(=C1)NC(=O)C2=NC(=CC=C2)C(=O)NC3=CC(=CC=C3)OC 1 3.073 3 4 0 -8.05324344417395 4118030 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N 1 0.153 4 5 0 -23.6978419799133 4118026 C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N 1 0.283 4 4 0 -22.1646361971874 4117993 CCS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)CC 1 1.998 3 4 0 -12.4630718235859 4117930 COC1=CC=CC(=C1)CNC(=O)CC2=CSC(=N2)NC3=NC(=S)NC4=CC=CC=C43 1 4.009 5 2 0 -10.7932620575732 4117929 C1=CC=C(C(=C1)CNC(=O)CC2=CSC(=N2)NC3=NC(=S)NC4=CC=CC=C43)Cl 1 4.689 5 1 -11.8061929077947 4117928 C1=CC=C2C(=C1)C(=NC(=S)N2)NC3=NC(=CS3)CC(=O)NCC4=CC(=CC=C4)Cl 1 4.689 5 1 -8.24879010370729 4117927 C1=CC=C2C(=C1)C(=NC(=S)N2)NC3=NC(=CS3)CC(=O)NCC4=CC=C(C=C4)Cl 1 4.689 5 1 -8.45214178971199 4117926 CC1=CC=C(C=C1)CNC(=O)CC2=CSC(=N2)NC3=NC(=S)NC4=CC=CC=C43 1 4.511 5 1 -10.2741404802988 4117906 CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#N 1 0 4 4 0 -19.2027340964116 4117900 C1CN(CCN1CCC#N)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3 1 1.377 4 4 0 -17.5310251171797 4117896 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N 1 0.461 4 4 0 -18.5016406580017 4117827 CC1(CC1(Cl)Cl)C(=O)NC23CC4CC(C2)CC(C4)C3 1 2.928 1 1 -5.41690097267841 4117825 C1CCC(CC1)CCC(=O)NNC(=O)NC23CC4CC(C2)CC(C4)C3 1 3.509 3 2 -13.8208751580293 4117800 C1CCC(=CC1)CCNC(=O)CCCCCNC2=NC(=S)NC3=CC=CC=C32 1 5.065 4 1 -20.0026721835472 4117799 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCCCCNC3=NC(=S)NC4=CC=CC=C43 1 4.936 5 1 -20.1442222435687 4117798 C1=CC=C2C(=C1)C(=NC(=S)N2)NCCCCCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 3.348 5 3 0 -22.1856159136534 4117749 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=NC(=C2)Cl)Cl 1 3.302 2 3 -15.493090402748 4117728 C1CCC(CC1)C(=O)NC2=CC3=C(C=CC4=CC=CC=C43)OC2=O 1 3.759 1 3 -2.04190930188566 4117727 C1CCC(CC1)C(=O)NC2=CC3=CC=CC=C3OC2=O 1 2.85 1 3 -3.50540299603698 4117725 COC1=CC=CC=C1C(=O)NC2=CC3=C(C=CC4=CC=CC=C43)OC2=O 1 3.28 1 4 -7.71877505768774 4117714 CC1=C(C=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=CS2)[N+](=O)[O-] 1 2.7 3 4 0 -10.7471396343972 4117694 CC(C(=O)NC1CCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C 1 1.289 4 5 0 -25.7305160454724 4117691 CC1=CC=C(C=C1)N(C(C)C(=O)O)S(=O)(=O)C2=C(NC(=O)NC2=O)C 1 0.351 3 6 0 -17.2439591911117 4117687 CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)OC)OC)C 1 3.892 2 5 0 -12.2802518616449 4117662 CN(C1=C(C=C(C=C1)OC)OC)C(=O)CCS(=O)(=O)C2=CC=C(C=C2)OC 1 2.397 1 6 0 -13.6771660291332 4117540 CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)NC(C)(C)C)C 1 3.28 2 3 -12.9132694279272 4117518 C#CCCCC1=NC2=CC=CC=C2C(=O)N1N 1 2.557 3 1 -7.4832647948396 4117513 CC1=CC(=C(C=C1)OC)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)OC 1 2.694 1 5 -14.640429372969 4117509 COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.688 2 4 -9.30144757353447 4117484 CCC1=CC=CC=C1N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O 1 2.439 2 5 0 -16.8414307087227 4117380 C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)C4=CC(=C(C=C4)F)[N+](=O)[O-] 1 1.222 3 4 0 -10.9502861628932 4117356 C1CCN(C(=O)C(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F 1 3.328 1 4 -8.79630328302571 4117305 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(O3)CSCC4=CC=C(C=C4)Cl 1 4.659 1 4 -10.4207643839321 4117175 CC1=CC(=NC2=NC(=NN12)SCCC(=O)NCC3=CC=CC=C3)C 1 2.76 5 1 -19.6558744314251 4117119 CC1=CC=CC=C1NC(=O)CN(C)S(=O)(=O)C2=CC=CS2 1 1.856 2 3 0 -13.0526435008275 4117118 CC1=CC=C(C=C1)CNC(=O)CN(C)S(=O)(=O)C2=CC=CS2 1 1.863 2 3 0 -14.2091621574248 4116926 CC1CCN(CC1)C(=O)CCl 1 1.281 1 1 0 -8.54689672556712 4116922 C1CCC(C1)N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4 1 2.027 3 2 -13.4519194995783 4116921 CC(C)N1C(C2=CC=CC=C2C1=O)C(=O)NCCC3=CC=CC=C3 1 2.823 2 2 -11.4645958645638 4116919 CC(C)(C)C(=O)NC1=C2CSCC2=NN1C3=CC=CC=C3 1 3.365 3 1 -9.82583007092394 4136153 CCOC1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)[N+](=O)[O-] 1 3.067 4 3 0 3.63059852450023 4136110 COC1=CC=CC(=C1)OC2=NC(=NC=C2[N+](=O)[O-])N 1 1.803 4 4 0 0.593222405738394 4136086 CC1CCCC(=NNC(=S)NCC2=CC=CC=C2)C1 1 3.791 3 0 -11.9178550350472 4136079 CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C 1 2.707 2 1 -17.8276293438495 4136040 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4 1 2.123 4 5 0 -16.2653175138467 4136003 COC1=CC=CC(=C1OC)C=NNC(=O)CC(=O)NCCC2=CC=CC=C2 1 2.279 3 4 0 -10.970285001248 4135999 C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CC3=CC=C(C=C3)Br 1 3.392 1 3 -12.6914177532025 4135986 CCCCOC1=CC=C(C=C1)C(C)NC(=O)CCS(=O)(=O)CC2=CC=C(C=C2)C 1 4.43 1 4 -16.7706805559158 4135985 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCC2=CC=CC=C2OC 1 2.724 1 4 -17.3353301542484 4135980 CC12C3CCC(C1COC2=O)(O3)COC(=O)C(C)(C)C 1 1.691 0 5 0 -4.9067171066827 4135970 CC1=NC2=C(N1C3=CC(=C(C=C3)F)F)C=CC(=C2)C(=O)N4CCC5=CC=CC=C54 1 4.865 3 1 -8.82718869617997 4135957 CC1=CC(=CC=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCOCC3 1 0.72 3 4 0 -15.8680019233098 4135954 CC1=CC(=C(C=C1)C)NC(=S)NCCN(C2CCCCC2)C3CCCC3 1 6.883 3 0 -6.63335710848522 4135910 COC1=CC=CC(=C1OC)C=NNC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.288 4 6 0 -26.8402127035404 4135855 C1=CN=C(N=C1)NC(=O)C2=CC=C(C=C2)C(F)(F)F 1 2.299 3 1 -2.70006572952046 4135796 CCCCN=C1C(=C(C(S1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)N)C(=O)N4CCOCC4 1 1.741 4 5 0 -22.1663130390335 4135632 CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3C(CC(=N3)C(F)F)(C(F)F)O 1 3.253 2 5 0 -5.81831608921459 4116689 C1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42 1 4.758 2 1 -3.76579524575658 4116600 C1=CSC(=C1)CC(=O)NC2=NN=C(S2)C3=CC=C(C=C3)F 1 3.207 3 1 -9.27252888016428 4116443 C1=CC(=CC=C1C=NNC2=NC=NC3=C2NC=N3)Cl 1 1.947 6 0 0 2.54952219251141 4116402 CC1CCCCN1C(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl 1 5.155 2 1 -8.36715513128294 4135527 CC(C)(C)C(=O)NC1=NN=C(S1)SCC(=O)NC2=NC=CS2 1 1.687 5 2 0 -26.7889133685278 4135500 CC(=O)C1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)Cl)CCC(=O)O 1 4.911 1 3 -4.76348766018344 4116264 CC(=NOCC(=O)NC1=C(C(=C(C(=C1F)F)F)F)F)C2=CC=CC=C2 1 3.34 2 2 -6.04512325639074 4116061 CN1CCN(CC1)NC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-] 1 -0.305 5 3 0 -1.81921363284498 4135295 C1CN(CCN1C2=CC=CC=N2)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=O 1 1.623 5 3 0 -10.833311418616 4135073 C1=CC2=C(C=CC(=C2)Br)C=C1OCC(CN3C=CN=C3)O 1 2.701 2 2 5.78677990131768 4135049 CC1CCN(CC1)C(C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)C(C)C 1 4.806 2 3 -10.9680617205308 4135044 CCN(CC)C(C1=CC2=C(C=C1)OCO2)C(=O)NC3=CC=C(C=C3)C(C)C 1 4.335 2 3 -6.90634444845033 4135042 CC1CCCN(C1)C(C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)C(C)C 1 4.874 2 3 -8.62149036757419 4116044 COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4)OC 1 0.578 3 7 0 -23.0772153818376 4116042 CC1CC(CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4)C 1 0.468 3 5 0 -18.8527810644207 4116040 COC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 0.273 3 6 0 -18.8306085193753 4116037 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 -0.879 4 7 0 -17.3777579282663 4116034 CCN1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 -0.782 4 5 0 -15.9464480281998 4116026 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCCCN3CCCCC3C 1 1.691 4 4 0 -26.1563802137426 4116022 CCCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SCCC)[N+](=O)[O-] 1 3.48 4 5 0 -10.3113645321977 4116017 COC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32)OC 1 2.412 3 4 0 -6.27736133463138 4116002 COP(=O)(CC(=O)O)C1=CC=CC=C1 1 0.707 0 4 0 -5.82167589155 4115898 C1COCCN1C(CNC(=O)C2=C(C=CC=C2F)F)C3=CC=C(C=C3)F 1 3.093 2 2 -14.9581066804059 4115793 CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C 1 1.763 2 6 0 -16.4192462141553 4115701 CC(C(=O)OC)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)F 1 1.98 4 3 0 -7.40252194908274 4115691 CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=C(C=C3)OC)N 1 3.45 3 5 0 -8.93541194975068 4115663 C1C(OC2=CC=CC=C2O1)C(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.538 3 6 0 -8.85869435736943 4115524 CCOC(=O)C1CCCN(C1)C(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)F 1 2.789 2 6 0 -16.2183278211414 4134924 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCCC(C)C 1 2.737 1 3 -18.8642755329156 4134909 C1CCN(C1)CCNC(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl 1 4.148 3 4 0 -3.64775669872271 4134897 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCCOC)N3CCOCC3 1 2.885 4 2 -13.1366004133015 4134861 CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4 1 4.554 2 3 -8.59028029599333 4134746 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)S(=O)(=O)C5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)Cl 1 4.773 4 4 0 1.27738662891834 4134680 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C 1 1.3 3 4 0 -9.81526422238284 4134627 CC(=NNC(=O)C1=CN=CC=C1)C2=CC=C(C=C2)N3C=CN=C3 1 1.182 5 1 0 -9.16264891451913 4134549 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4 1 2.714 4 5 0 -17.4574863317994 4134538 CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(CN(C)C)O)C3=CC=CC=C3 1 3.759 1 5 -1.81770300552575 4134503 CN1C=C(C2=CC=CC=C21)CC(=O)NCCCN3CCCC3 1 2.234 3 1 -8.33917439933602 4134502 CC1CC(CN(C1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)NCCCOC)C)C 1 0.552 4 5 0 -33.7924580845521 4134429 CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 1 4.666 3 4 0 -16.383837290455 4134427 CC1=CC(=CC(=C1)NC(=S)NCC2=CC3=C(C=C2)NC4=C3CCCC4)C 1 6.744 3 0 -2.23682637484846 4134365 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NN=C(C)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 2.906 4 6 0 -17.1431382938172 4115504 CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC(=O)OC)[N+](=O)[O-])N 1 2.584 2 6 0 -13.380719096794 4115471 C1CC(OC1)C(=O)NC2=CC(=C(C=C2)N=NC3=CC=CC=C3)NC(=O)C4CCCO4 1 3.106 4 4 0 -5.21942377325339 4115425 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 1.654 3 8 0 -21.2172911836533 4115421 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-])Br 1 3.404 3 3 -0.256550698012068 4115209 CC1=CC(=C(C=C1)C)NC(=S)N(CCN(C)C)C(C)C2=CC=CC=N2 1 5.291 4 0 -7.30235914884945 4115206 CC(=O)NC1=C(C=CC(=C1)C(=O)NCCOC)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.794 2 5 0 -20.2776993708259 4115109 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4CC4 1 3.351 2 4 -12.5524174537513 4115056 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 1.274 2 5 0 -25.0269284767017 4114999 CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NN=C(C2=NC=CN=C2)N 1 2.844 6 0 -4.73998482897556 4115051 C1CC(=O)N(C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)CC4=CN=CC=C4 1 1.503 4 2 0 -7.78970681229041 4115048 CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.734 3 2 -6.31915816522937 4114993 C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)C(=O)O2 1 3.959 0 2 -0.488128553876461 4114964 C1CCC(C1)NC2=C(N=C3N2C=CN=C3)C4=CC=C(C=C4)F 1 3.322 4 0 1.69098214745635 4114839 C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCCN3CCOCC3)[N+](=O)[O-] 1 1.382 4 4 0 -11.6906523505006 4114795 C1CCN(C(C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.244 3 3 -7.4033012298483 4114774 CC(=O)NC1=C(SC(=C1)C2=CC=CC=C2)C(=O)OC 1 2.569 1 3 -6.56806649503364 4114707 CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NCC4CCCO4 1 2.93 4 2 -21.856337819642 4114544 CC(=O)NC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 0.874 5 4 0 -15.5852315215024 4114543 C1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.76 4 3 0 -18.4900992323037 4114494 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=C(C=C3)OC 1 2.674 3 4 0 -7.14265728087669 4114493 CC1(CC2=C(C(NC(=O)N2C)C3=CC(=CC=C3)F)C(=O)C1)C 1 2.172 2 2 -16.9128869870854 4114468 C1=CC=C2C(=C1)C=CN2CCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.08 3 3 -14.9259865736228 4114340 CC1=C([N+](=O)C(=C(N1[O-])C)C2=CC=C(C=C2)F)C 1 1.14 2 2 0 1.29026730206909 4114331 COC1=CC=CC=C1CNC(=O)C2=CN=C3N(C2=O)C=CS3 1 0.616 3 3 0 -18.1164533358084 4114328 CC1=CC=C(C=C1)CSC2=NCCN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.272 3 3 -12.9184105701149 4114326 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)N3CCOCC3 1 0.176 4 7 0 -28.4598990177229 4114287 COC1=CC=C(C=C1)OP(=O)(C)NC2=CC=CC=N2 1 1.746 2 3 0 4.73635281595562 4114233 C1=CC=C(C(=C1)NC(=O)NC2=NC=CN=C2)F 1 0.966 4 1 0 -5.76075701831906 4114218 CC1=C(C(=NC2=C(C=NN12)C(=O)N3CCCC3)C)CC4=C(C=CC=C4Cl)F 1 3.387 4 1 -16.37582131478 4114048 CN(C1CCCC1)C2CCN(CC2)C(=S)NC3=CC(=CC=C3)SC 1 5.102 3 0 -9.69201608452418 4114046 CN(C1CCCC1)C2CCN(CC2)C(=S)NC3=CC(=CC(=C3)F)F 1 4.972 3 0 -11.3927867161628 4114038 CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)N(C)CC3CCCO3)C 1 4.49 3 1 -11.4696823129482 4114014 CC1=CC=C(C=C1)NCC2=CC=CC=C2O 1 3.466 1 1 3.78489197652013 4113977 CC1=C(C(=NN1C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3)C)Cl 1 4.604 4 1 6.67167492867204 4113972 CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.098 5 5 0 -30.5067545673177 4113914 C1CCC(C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4 1 2.534 6 3 0 -24.2841915754155 4113905 CCOC1=CC=C(C=C1)CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.685 3 4 0 -21.1668552701739 4113855 CC1=C(SC=C1)C(=O)NNC(=S)NCC(C)C 1 3.051 3 1 -11.6854860902261 4113801 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=O 1 4.089 4 3 0 -5.83882612592741 4113750 CC1=CC(=NN1CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)C(F)F 1 2.243 4 3 0 -11.9036155339471 4113658 C1=CC(=CN=C1)CNC(=O)C2=CN=C3N(C2=O)C=CS3 1 -0.518 4 2 0 -18.1121186960076 4113653 C1CC(=NC1)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 -0.473 4 4 0 -23.5288078780283 4113625 C1C2=C(C3=CC=CC=C3O1)N=C(S2)NC(=O)CCSC4=CC=CC=C4 1 4.015 2 2 -3.07230565977938 4113596 CC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.239 4 3 0 -12.3953137847492 4113488 CCCN1C=C(C2=CC=CC=C21)SCC(=O)NC3=NN=C(S3)C 1 3.114 4 1 -18.6892430440262 4113466 CCOC1=CC=CC=C1NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.086 4 4 0 -16.8176735077092 4113464 CC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32)F 1 2.445 4 3 0 -10.6519064587589 4113462 CC(C)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.947 4 3 0 -12.1118540880975 4113461 C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCC(=O)NCC3=CC=C(C=C3)F 1 1.966 4 3 0 -16.8660130755341 4113460 COC1=CC=CC(=C1)CNC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.744 4 4 0 -18.4233845859284 4113459 COC1=CC=CC=C1CNC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.744 4 4 0 -20.2025083677342 4113455 C=CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 4.952 3 3 -11.1752221049843 4113422 CCOC1=CC=C(C=C1)NC(=O)CN2C(=C(C=C2C3=CC=CC=C3)C(=O)OCC)C 1 4.257 2 4 -7.62028164692077 4113418 CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)OC)C 1 3.909 2 4 -7.2232614175345 4113395 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=NC=CN=C3 1 0.224 3 5 0 -16.8221836493691 4113380 C1=CC=C(C(=C1)C=NNC2=NNC(=O)NC2=O)OC(F)F 1 1.014 5 3 0 -12.886771303983 4113351 CC(C(=O)NN=CC1=CC(=C(C=C1)Cl)Cl)N2C=C(C(=N2)OC)[N+](=O)[O-] 1 3.415 5 4 0 -6.33583926820517 4113294 CC1=C(C=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)NC3=C(C=C(C=C3)OC)OC)C 1 2.455 3 5 0 -13.162494990119 4113286 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CNC(=O)N(C2=O)C3=CC(=CC=C3)OC 1 0.619 4 5 0 -11.5754968771643 4113281 COC1=CC=CC(=C1)N2C(=O)C(=CNC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4 1 1.285 3 6 0 -12.927287763463 4113258 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CC=N5 1 5.337 3 1 -8.47716746970027 4113163 CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)OC)N4CCC5=CC=CC=C5C4)O 1 4.121 4 2 -4.14614129629047 4113077 C1COCCN1C2=CC=C(S2)C=NNC3=C(C=CC(=C3)C(F)(F)F)Cl 1 4.983 3 1 4.85799024146646 4112978 CC1=NN(C(=C1)NC(=O)CC#N)C2=NC3=CC=CC=C3N2 1 1.7 6 1 0 -8.3707416336758 4112938 CC1=CC(=C(C(=C1)C)NC(=S)N2CCC(CC2)N(C)CC3CCCO3)C 1 4.976 3 1 -13.4474464653903 4112940 CC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)N(C)CC3CCCO3)C 1 4.49 3 1 -14.2843619512533 4112950 CN(CC1CCCO1)C2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC 1 3.501 3 2 -14.0927079510696 4112946 CN(CC1CCCO1)C2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC 1 3.501 3 2 -14.4494133457573 4112944 CC1=CC=C(C=C1)NC(=S)N2CCC(CC2)N(C)CC3CCCO3 1 4.004 3 1 -14.0364471366132 4112942 CN(CC1CCCO1)C2CCN(CC2)C(=S)NC3=CC(=C(C=C3)OC)Cl 1 4.165 3 2 -14.8712619940294 4112897 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)Cl 1 6.006 2 4 2.4808673566303 4112881 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C=C(C=C3)Cl)F 1 3.724 2 3 -14.6364346039805 4112850 CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)N(C)CC3CCCO3 1 3.85 3 2 -15.2156364974653 4112846 CC1=CC(=C(C=C1)C)NC(=S)N2CCC(CC2)N(C)CC3CCCO3 1 4.49 3 1 -14.2545832685493 4112844 CC1=CC(=CC=C1)NC(=S)N2CCC(CC2)N(C)CC3CCCO3 1 4.004 3 1 -12.148801583284 4112842 CC1=C(C(=CC=C1)C)NC(=S)N2CCC(CC2)N(C)CC3CCCO3 1 4.49 3 1 -14.3664240864793 4112838 CC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)N(C)CC3CCCO3)C 1 4.49 3 1 -14.5006450524613 4112680 CC1CN(CC(O1)C)C(=O)C2=C(C=NN2C)[N+](=O)[O-] 1 0.522 4 4 0 -14.5512199230938 4112671 C1CCC(=CC1)CCNC(=O)C2CCC(CC2)CNC3=NC(=S)NC4=CC=CC=C43 1 5.476 4 1 -19.3392545286733 4112670 C1CC(CCC1CNC2=NC(=S)NC3=CC=CC=C32)C(=O)NCCC4=CC=C(C=C4)Cl 1 5.717 4 1 -14.0298035343527 4112660 COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)CCCC3 1 3.536 3 3 -13.61826610026 4112659 CN(C)S(=O)(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O 1 1.925 1 4 0 -4.45281550622378 4112654 CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)CCCC3=CC=CC=C3 1 3.758 2 2 -15.782399141172 4112639 CC1=CC(=CC=C1)NC(=O)C2=CN=C3N(C2=O)C(=CS3)C 1 1.626 3 2 0 -9.34472984454322 4112578 CC1=CC=C(C=C1)OCC(=O)NN=C2C3CC4CC(C3)CC2C4 1 3.415 2 2 -2.08887980200472 4112523 C1=CC=C(C=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)Cl 1 4 2 3 -0.692119069284185 4112434 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC 1 2.222 2 5 0 -13.5893414508452 4112354 CN(C)NC(=S)NC(=O)C12CC3CC(C1)CC(C3)C2 1 2.445 3 1 -5.76027988460658 4112347 CC1=C(C=C(C=C1)N2C(=C(SC2=S)C(=O)NC3=CC=CC=C3F)N)C 1 5.071 3 1 -5.6825250845025 4112322 CCNC1=C(C=C(C=C1)C(=O)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)N4CCCC4)[N+](=O)[O-] 1 3.992 7 3 0 -10.2004939101412 4112297 CCCCCOC(=O)C(C)SC1=NNC(=O)NC1=O 1 1.745 3 4 0 -20.1477637529807 4112296 CCCCOC(=O)C(C)SC1=NNC(=O)NC1=O 1 1.289 3 4 0 -20.8418331668475 4112293 C1COCCN1CCCNC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 1.954 2 2 0 -9.77673596199644 4112280 COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.147 2 4 -5.47206377051339 4112239 CC1CCCC(C1C)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 1 3.789 2 3 -13.8487685632239 4112227 C1=CSC(=C1)C2=NC=C(C(=N2)C(F)(F)F)C3=NN=NN3C4=CC=C(C=C4)F 1 4.012 6 0 -3.29811780113381 4112067 CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)NC(=O)C 1 4.678 2 3 -10.4972144572652 4112048 C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(=O)NC3=NC(=CS3)C4=CC=CC=C4 1 3.177 4 5 0 -9.8218626590475 4112003 C1CCC(CC1)C(=O)ON=CC2=CC=C(C=C2)Cl 1 4.27 1 2 1.54927296120176 4111957 C1=CC(=C(C(=C1)F)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])F 1 3.864 3 3 -3.42339471037376 4111785 CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NC=CS4 1 4.574 3 1 -11.1128980591914 4111782 CC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C 1 1.289 3 3 0 -5.05388270568322 4111713 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCCC4)C5=CC=C(C=C5)N 1 3.192 7 2 0 -17.590396936028 4111698 CCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4 1 1.308 3 8 0 -24.3908272883743 4111680 COC1=CC=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=CS2 1 1.68 3 3 0 -14.1315822294258 4111596 CC(C(=O)NN=CC1=CC(=CC=C1)OC)N2C3=CC=CC=C3N=N2 1 2.813 5 2 0 -8.74314909859879 4111548 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3C=C(C#N)C#N)CCC#N 1 4.109 5 0 2.58494247435083 4111530 CCOC(=O)CSC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 4.965 3 3 -8.05271305247583 4111238 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OC3=CC=CC=C3C=NNC(=O)N 1 2.271 3 5 0 -12.3680388447064 4111222 C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 4.645 4 5 0 -18.4747177627325 4111212 COC(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CN=CC=C3 1 1.16 4 4 0 -7.37907171403232 4111178 CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4 1 3.718 3 3 -24.051870427787 4111114 COC1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5 1 4.201 5 4 0 -19.5574141966974 4111023 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)N3CCCC4=CC=CC=C43 1 2.596 4 6 0 -28.1460365315014 4111013 CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=C(C(=CC=C1)Cl)Cl 1 1.134 2 4 0 -16.7108852392541 4110989 CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 2.845 3 4 0 -25.0748690480896 4110988 CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NCCOC)OC)OC)C 1 5.321 2 4 -20.3456004702154 4110965 CCCN1CNC(=S)N(C1)CC2CCCO2 1 2.346 3 1 -11.4456395246378 4110871 C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)NN=CC4=CC=CC=C4C#N 1 5.38 5 0 9.34023314374625 4110825 CCOC1=CC=C(C=C1)C2=CN(C(=N2)SC)C3=CC=C(C=C3)OC 1 4.846 2 2 3.04597492437924 4110795 CC1=CC=C(C=C1)NC(=O)C2(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.524 1 3 -6.00280952428643 4110792 CC1CCCCC1NC(=O)C2(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.638 1 3 -10.2851373680172 4110790 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)NCCC3=CC=CC=C3 1 3.366 1 3 -7.90869413452142 4110781 CC1=CC2=NC(=C(N2C=C1)NC3CCCC3)C4=CSC=C4 1 4.415 3 0 -3.68433327588927 4110745 CCC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)C 1 1.956 3 3 0 -5.02602870391225 4110629 CC1=CC(=CC(=C1)N(CC(=O)O)S(=O)(=O)C2=C(NC(=O)NC2=O)C)C 1 0.353 3 6 0 -21.3374725829271 4110624 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)O)N(C(=O)C1=O)C 1 -0.939 3 6 0 -12.270244713849 4110622 CC1=CC(=CC(=C1)N(CC(=O)O)S(=O)(=O)C2=C(ON=C2C)C)C 1 1.859 2 5 0 -12.3904655947237 4110619 CC1=CC=C(C=C1)N(C(C)C(=O)OC)S(=O)(=O)C2=C(NC(=O)NC2=O)C 1 0.577 3 6 0 -18.7963658078525 4110592 CC1=C(C=C(C=C1)NC(=O)CN2CCC3=CC=CC=C3C2)S(=O)(=O)N(C)C 1 2.217 3 3 -15.5815642308819 4110578 COC1=CC=CC=C1NC2=C(C(=O)OC2OC(=O)C3=CC=CO3)Cl 1 2.929 1 6 0 -6.71460781862131 4110549 COC1=CC=CC=C1CN2CC(CC2=O)C(=O)NCCC3=CC=C(C=C3)Cl 1 2.869 2 3 -15.7733379143105 4110531 C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 5.528 3 3 -9.6606931815549 4110501 COC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CCCCN4C3=O 1 2.118 4 3 0 -3.65937980698223 4110417 COC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3CC3 1 1.532 3 3 0 -2.10460406043911 4110392 COCCNC(=O)C1CC(=O)N(C1)C2=CC(=C(C=C2)F)Cl 1 1.048 2 3 0 -14.228657637436 4110386 CC1=C(C(=CC=C1)C(CC(=O)NCCC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3)O 1 4.929 1 4 -13.806250566281 4110368 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)Cl 1 3.134 6 4 0 -8.29636205074389 4110364 CC1CC2=CC=CC=C2N1C(=O)C3=CN=C4N(C3=O)CCS4 1 1.881 3 2 0 -15.0440620391925 4110361 CC(C)(C)C(=O)NC1=C2CSCC2=NN1C3=CC=C(C=C3)F 1 3.57 3 1 -8.44746053487105 4110359 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C 1 2.202 4 5 0 -10.4690318566709 4110331 CCC1=CC=C(C=C1)NC(=O)C2=NC(=CC=C2)C(=O)NC3=CC=C(C=C3)CC 1 4.99 3 2 -7.81265363131714 4110324 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5)OC 1 3.096 5 3 0 -5.11861230523878 4110229 COC1=CC(=C(C=C1NC(=O)CC2COC3=CC=CC=C3O2)OC)OC 1 2.479 1 6 0 -12.7341208707722 4110203 CCOC(=O)C(=NCC1CCCO1)NNC2=CC=CC=C2Cl 1 2.606 3 3 -6.92639159735541 4110197 CCSC(=O)CCCCCCCCCCCO 1 4.475 0 2 -4.3264055637485 4110137 C1=CC=C(C=C1)C(C2=CC=CC=N2)C3=CC=CC=N3 1 3.433 2 0 -3.04846807993265 4110127 CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C(C)(C)C 1 2.693 2 2 -14.1472249801898 4110064 CC1(CC2CC(C1)(CN2C(=O)NC(=O)C3=CC=CC=C3)C)C 1 3.065 2 2 -13.8333046410048 4110035 CC1CC(=O)N(C2=C(N1)C=CC(=C2)[N+](=O)[O-])C 1 1.171 3 3 0 -6.07618163486212 4110027 CC1CCN(CC1)C(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC 1 1.147 2 6 0 -23.3165819623331 4109925 C1CCC(CC1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)N4CCCCC4 1 3.536 3 5 0 -13.2419504781089 4109910 CC1=CC=C(C=C1)N=C2C(=C(C(S2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F)N)C(=O)NC4=C(C=C(C=C4C)C)C 1 7.168 4 3 0 2.64582802949021 4109909 CC1CCCN(C1)C(C2=CC=CC=C2)C3=C(N4C(=NC=N4)S3)O 1 3.76 4 1 -7.03798296321573 4109906 COC1=CC=CC(=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=CC=C3)CC4=CC=CC=N4 1 3.739 4 3 0 -6.71385364385458 4109892 COC1=CC=CC(=C1)N2C(=O)C3CCCN3C2=S 1 2.831 2 2 -1.5021909010244 4109817 CC(C)C1=CC=C(C=C1)NC(=S)N(C)CCC2=CC=CC=N2 1 5.138 3 0 -6.73432594323719 4109733 CCC(=NNC1=CC(=CC=C1)[N+](=O)[O-])CC 1 2.983 3 2 -2.42211507320304 4109732 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4 1 2.61 2 7 0 -23.5394868830873 4109727 CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SCC(=O)NC(C)CC 1 3.725 4 3 0 -24.9409816322799 4109638 C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(S3)[N+](=O)[O-] 1 3.338 3 2 6.13936178677346 4109606 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)NCC3=CC=C(C=C3)OC)OCC 1 2.31 3 6 0 -19.8012258986446 4109598 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=N4 1 2.086 5 4 0 -19.8679996058788 4109394 CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=C(C=C2)Cl 1 1.852 2 3 0 2.91502555322867 4109389 CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C)C 1 2.436 3 4 0 -12.7898674612588 4109353 CC1=C(C(=NC2=C(C=NN12)C(=O)N3CCOCC3)C)CC4=CC(=CC=C4)Cl 1 2.409 4 2 -15.5281717954805 4109278 COC1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3=CC=CS3 1 4.244 3 2 -11.0777792854007 4109234 COC1=C(C=C(C=C1)CCN(CC2=CC=CC=N2)C(=S)NC3=CC(=CC=C3)SC)OC 1 6.109 3 2 -9.58663464981966 4109233 CC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=S)NC3=CC(=CC=C3)SC 1 6.307 3 0 -7.20414086143048 4109232 CSC1=CC=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=N3 1 5.821 3 0 -8.18736876322248 4109230 CC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC(=CC=C3)SC 1 6.092 3 0 -6.17283712682184 4109228 C1=CC=NC(=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 2.377 2 3 -11.4014297565896 4109209 CCCC(=O)NC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)Br)OCC=C)OCC 1 5.146 2 3 -19.172851157218 4109208 CC1=NNC(=S)N1NCC2=CC(=C(C=C2)OCC=C)OC 1 2.113 4 2 -16.0797857335368 4109111 CC1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2 1 4.813 2 1 -16.6066911606533 4109101 C1=CC=C(C(=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br)Cl 1 3.653 1 3 -11.6339961156357 4109100 CCN(CC)C1=CC(=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br)C 1 4.335 2 3 -18.5666537503652 4109094 COC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 2.844 1 5 -14.7198371524339 4109093 CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.321 1 4 -15.9596258834972 4109074 CC1=CC(=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N)OC 1 2.307 4 4 0 -1.80828445737581 4109022 CC(C(=O)OC)N1C(=O)C2=C(N=N1)SC(=C2)C3=CC=CC=C3 1 3.619 3 3 -12.4840223608836 4108861 CC1(CCC(=O)N1CC2=CC=CS2)C(=O)NCC3=CN=CC=C3 1 1.098 3 2 0 -10.9864273026686 4108860 CC1=CC=C(C=C1)CN2C(=O)CCC2(C)C(=O)NCC3=CN=CC=C3 1 1.844 3 2 0 -8.74903842531868 4108836 CN1C=C(C2=CC=CC=C21)SCC(=O)N3CCCC4=CC=CC=C43 1 4.244 2 1 -10.5107114138787 4108775 CC1=CC(=O)C=C(C1(NC(=O)C2=CC=CC=C2)OC)C 1 2.608 1 3 -5.33046268582537 4108756 CC1=NC2=C(N1C3=CC=C(C=C3)Br)C=CC(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5 1 4.696 3 3 -8.15576390977082 4108686 CC1CCCC(N1C(=O)COC(=O)CCC2CCCC2)C 1 3.33 1 3 -13.4499242917249 4108586 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NN=CC(=O)C2=CC=CC=C2 1 2.981 4 3 0 -13.3439442497878 4108527 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43)OC 1 4.86 4 3 0 -16.4984541239229 4108522 C1CCC(CC1)NC(=O)C2=CC=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43 1 4.846 4 1 -11.8795985512296 4108498 COC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)OCC(=O)C2=CC=C(C=C2)Br 1 2.998 1 6 0 -17.3127456068024 4108421 CC(=O)N1CCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])CC1 1 -9.8e-002 5 6 0 -24.4653369119055 4108413 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3CCCO3 1 2.077 2 6 0 -18.7568956265233 4108328 CCCCCCC(C)N1C=C(C(=O)NC1=O)C(=O)C 1 1.959 2 3 0 -10.5933738754876 4108312 CC1=CC(=NN1CC(=O)NN=CC2=CC3=C(C=C2)OCO3)C 1 1.381 4 3 0 -15.9147961718182 4108282 CC1CN(CC(O1)C)CC2=C(SC(=C2C)C)NC(=O)C3=CC=C(C=C3)OC 1 3.532 2 3 -9.94803179187759 4108280 COC1=CC=CC(=C1)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC=CC=N3 1 1.496 2 5 0 -2.13826782961619 4108275 CC1=C(C(=NC2=C(C=NN12)C(=O)NCC3=CC=CS3)C)CC4=CC=CC=C4 1 3.174 4 1 -20.4362267804077 4108222 C1=CC=C(C=C1)C(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=N4 1 2.771 4 2 -10.2207423931547 4108221 CC1CCCCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C 1 3.684 2 1 -9.44030281122779 4108178 C1=CC=NC(=C1)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 1.19 3 6 0 -6.76006365885733 4108114 COC1=C(C=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)OC 1 0.515 4 7 0 -32.9340857555007 4108109 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3 1 1.996 2 1 0 -7.08133904035122 4108108 CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=CC(=CC=C3)OC 1 3.074 2 2 -8.49587750121455 4108107 C1=CC=C(C=C1)C(=O)NN2C(NC3=CC=CC=C3C2=O)C4=COC=C4 1 2.591 3 3 -12.1894426551654 4108103 CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=CC=CC=C3Cl 1 3.754 2 1 -9.36897044721436 4108101 C1=CC=C(C=C1)C(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CN=CC=C4 1 2.337 4 2 -9.82386845534808 4108077 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 2.451 3 3 -12.3316569324302 4108003 CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3 1 3.528 3 3 -6.78389407969258 4107920 CCOC1=CC=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)NC3=CC(=C(C=C3)OC)OC 1 1.815 3 6 0 -15.0973331934744 4107899 C1CCC(CC1)N2C=NC3=C2C=CC(=C3)C(=O)NCCCN4CCCC4=O 1 2.333 4 2 -26.1250997894585 4107884 CC1CCCCC1NC(=S)NC(=O)C2=CC=CC=C2Br 1 4.837 2 1 -11.2022477735718 4107862 CC1C(=O)N(C(=O)CS1)CC(=O)NC2=CC=C(C=C2)OC 1 0.635 2 4 0 -13.3037637163904 4107790 CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCCCC3 1 4.428 1 4 -6.4857572657061 4107783 CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCCCN3CCCC3 1 2.775 2 4 -6.851176440984 4107771 C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-] 1 0.885 3 6 0 -12.3135201650029 4107620 CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CS3 1 3.437 1 4 -10.0899815414029 4107475 C1=COC(=C1)C2=NN=C(O2)NC(=O)COC3=CC=C(C=C3)Cl 1 2.35 3 4 0 -1.6797447111254 4107455 CCC(CC)C=NNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-] 1 3.191 4 4 0 -16.2621872525874 4107352 CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)NC(=O)C3C4CCC(C3C(=O)O)O4 1 2.684 1 6 0 -7.38787834553232 4107350 CC1=CC=C(C=C1)NC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C 1 3.16 3 3 -6.37266432071751 4107269 CC1=NN=C(S1)NC(=O)CC23CC4CC(C2)CC(C4)C3 1 2.275 3 1 -12.5971009506407 4107216 CC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)NC(=C3)C)[N+](=O)[O-] 1 3.441 3 3 -10.1459321152785 4107213 CC1=CC2=C(N1)C=CC(=C2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.954 3 3 -9.65326094341204 4107211 CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=O)CCCC3=CC=CC=C3)C 1 4.245 2 2 -15.8707256156216 4107072 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3 1 1.553 6 3 0 -28.0039407572966 4107004 C1CC(OC1)CNC(=O)C2=CC3=C(S2)CCC3 1 2.277 1 2 -14.6820450828284 4106960 CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=NC=C3)SC2=C(C#N)C(=O)C4=C(NC5=CC=CC=C54)C 1 4.98 4 2 -1.35937227599448 4106879 CC1C(=O)N(C(=O)C(S1)C)CC(=O)NC2=CC3=C(C=C2)OCO3 1 0.903 2 5 0 -10.233138222259 4106803 CC1=C(C=C(C=C1)C(=O)NCCN2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)C)C 1 4.002 3 2 -9.32689768802702 4106735 CCCCCCCCCCCC(=O)NN=CC1=CC=CO1 1 5.187 2 2 -9.90648049151964 4106670 CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.175 3 2 -7.01299108139615 4106605 CC(C)C1=NN=C(S1)NC(=O)C(C)SC2=NN=CN2C 1 1.467 6 1 0 -17.2758984968426 4106583 C1=CC=C(C=C1)CN2C(=NNC2=S)CNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.074 4 1 -6.61001587030493 4106509 CC1=CC(=NN1C2=NC3=C(N2CC(COC4=C(C=C(C=C4)Cl)Cl)O)C(=O)NC(=O)N3C)C 1 3.34 6 4 0 -6.29611811601757 4106490 CC1=C(N2C=CC=CC2=N1)C(=O)NN=C(C)C3=CC=CO3 1 1.51 4 2 0 -5.32888499976867 4106465 C1C2CN(CC1C3=CC=CC(=O)N3C2)C(C4=CC=CC=C4)C5=C(N6C(=NC=N6)S5)O 1 2.403 5 2 0 -8.15997139848425 4106454 CC12C(C(C3=CC=CC=C3O1)NC(=S)N2C4=CC=CC=C4)C(=O)N(C)C 1 3.662 3 2 -5.10009422994539 4106453 C1CN2C(C(C3=CC=CC=C3C2=O)C(=O)NC4=CC5=C(C=C4)OCCO5)C6=CC=CC=C61 1 3.265 2 4 -9.70967683497141 4106449 C1CCC(CC1)N2C(CCC2=O)C(=O)NCC3=CC=CC=N3 1 1.536 3 2 0 -14.6930897457587 4106320 CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)OC 1 2.97 2 3 -2.67505025880537 4106305 CCCN(CCC)C(=O)CN1C2=CC=CC=C2C3=NC(=O)C=C(N31)C 1 2.622 4 2 -12.5255891737424 4106285 COCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3COC4=CC=CC=C4O3 1 2.16 3 6 0 -11.6918314708422 4106164 CC(C)C1=NC2=C(N1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4 1 4.411 3 1 -2.75061402999743 4106041 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC3=C2CCN(C3=O)CC4=CC=CC=C4F 1 2.565 3 5 0 -12.5413801218119 4105988 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)C45CC6CC(C4)CC(C6)C5 1 5.264 5 2 0 -18.0471173269325 4105950 CC1=CC(=CC=C1)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 3.388 2 3 -7.01038832451299 4105944 COC1=CC=CC=C1C=NOC(=O)C2=CC=C(C=C2)F 1 3.333 1 3 0.404480072897999 4105865 COC1=CC(=C(C=C1)OC)CNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4 1 1.549 3 6 0 -29.3434011692888 4105758 CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)NCCC4=CC(=C(C=C4)OC)OC 1 5.872 2 3 -17.1879635910134 4105779 CC1=CC(=CC=C1)OC(C)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 2.132 2 4 -13.5309941973506 4105778 CN1C(=NN=N1)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 0.754 6 3 0 -21.9425796102897 4105697 CC1(CCC(=O)N1CC2=C(C=C(C=C2)OC)OC)C(=O)NC3CCCC3 1 2.294 2 4 -8.94844032603647 4105633 C1CCC(CC1)NC(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC=C3Cl)[N+](=O)[O-] 1 4.557 2 5 0 -15.135562480003 4105574 CC1=C(C(=CC=C1)NC(=S)N2CCCC2C3=CC(=C(C=C3)OC)OC)C 1 6.06 2 2 -4.1276874366548 4105573 CC1=C(C=C(C=C1)NC(=S)N2CCCC2C3=CC(=C(C=C3)OC)OC)C 1 6.06 2 2 -7.08220497918153 4105571 CC1=C(C=C(C=C1)NC(=O)N2CCCC2C3=CC(=C(C=C3)OC)OC)C 1 4.164 2 3 -4.82258030860631 4105570 COC1=C(C=C(C=C1)C2CCCN2C(=O)NC3=CC=C(C=C3)F)OC 1 3.398 2 3 -3.7229505642793 4105569 COC1=C(C=C(C=C1)C2CCCN2C(=O)NC3=CC=C(C=C3)Cl)OC 1 3.857 2 3 -2.61282889915773 4105490 CC1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCC(=O)N3CC=C 1 2.583 2 2 -18.5323226468732 4105488 C=CCN1C(=O)CSC2=C1C=C(C=C2)C(=O)NCC3=CC=CS3 1 2.532 2 2 -21.1126880404594 4105466 CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=CO3 1 2.296 4 5 0 -11.2262107642009 4105415 COC1=C(C=C(C=C1)C2CCCN2C(=O)NC3=CC=CC=C3)OC 1 3.192 2 3 -4.5914817281179 4105408 CCCCN(C)C1CCN(CC1)C(=S)NC2=CC(=CC=C2)OC 1 4.471 3 1 -14.0963019914863 4105404 CCCCN(C)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC 1 4.471 3 1 -14.453007386174 4105386 C1=CC=C(C(=C1)N2C=C(NC2=S)C3=CC=C(C=C3)[N+](=O)[O-])F 1 3.935 3 2 -2.91642604225355 4105359 CCCC1=CC(=CS1)C2=NNC(=S)N2C(C)C3=CC=CC=C3 1 4.993 3 0 -5.40122898321987 4105344 CC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC3=CC=CC=C3 1 0.924 3 3 0 -14.431273897841 4105330 C1=CC=C(C(=C1)C=NNC2=NC3=CC=CC=C3O2)OC(F)F 1 3.684 3 2 4.04189353355085 4105324 C=CCN1C(=O)CSC2=C1C=C(C=C2)C(=O)NC3CCCCC3 1 3.067 2 2 -17.7484439810044 4105321 CCN1C(=O)CSC2=C1C=C(C=C2)C(=O)NCC3=CC=CC=C3 1 2.524 2 2 -14.2527905834751 4105287 CC1=CC=C(C=C1)CNC(=O)CC2=CC=C(C=C2)N3C=CC=C3 1 4.018 2 1 -8.91225994727743 4105282 CC1=CC=C(C=C1)N(CC(=O)OC)S(=O)(=O)C2=C(NC(=O)NC2=O)C 1 9.3e-002 3 6 0 -22.2159396262485 4105278 COC1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=C(C=C3)OC 1 3.802 2 2 -2.40428939545916 4105277 CCC1=CC=C(C=C1)C2=CN(C(=S)N2)C3CCCCC3 1 4.964 2 0 -2.28893697242477 4105237 CC1=CC(=C(C(=C1)C)NC(=S)N(CCOC)C(C)C2=CN=CC=C2)C 1 5.186 3 1 -10.9675156002989 4105235 CC1=CC=CC=C1NC(=S)N(CC2=CC=CO2)C(C)C3=CC=CC=N3 1 5.431 3 1 -8.65175905742976 4105233 CC1=CC(=C(C=C1)C)NC(=S)N(CCOC)C(C)C2=CN=CC=C2 1 4.7 3 1 -11.6855451783608 4105232 CCOC1=CC=CC=C1NC(=S)NCC2=CC=CN2C 1 3.805 3 1 -12.7517510014687 4105097 C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC4=CC=CC=C4OC3=O)C5=CC=C(C=C5)F 1 4.229 2 4 -20.9282804891728 4105084 CC(C1=CC=NC=C1)N(CCCOC)C(=S)NC2=CC=C(C=C2)OC 1 3.773 3 2 -6.21908474192463 4105062 CCN1C2=CC=CC=C2N=C1C(C)NC(=O)C3=CC(=CC=C3)C 1 3.855 3 1 -8.97474238450974 4105005 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CN=C4N(C3=O)C=CS4 1 1.549 4 2 0 -9.32084641029947 4104913 CCOC1=CC=C(C=C1)C(C2=C(SC(=C2C)C)NC(=O)C3=CC=CC=C3)N4CCN(CC4)CCO 1 4.468 3 3 -8.84547402155702 4104905 CCOC(=O)C1=CC(=C(C=C1NC(=O)C)[N+](=O)[O-])[N+](=O)[O-] 1 0.943 3 7 0 -10.91559096645 4104826 C1C(=NN(C1(C(F)F)O)C(=O)C2=CC=C(O2)CN3C=C(C=N3)Br)C(F)F 1 2.336 4 3 0 -4.14234773436978 4104793 C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)C2=NNC(=O)C(=C2)N 1 -0.53 6 4 0 -15.3348085939678 4104776 CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)Br 1 4.567 2 2 -1.32679447950348 4104775 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC=CC=C2O 1 1.151 1 5 0 -11.8010737368694 4104731 COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl)C5=CC=CC=C5 1 3.575 3 7 0 -25.6011585021994 4104660 C1CCC(C1)NC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.687 1 4 -9.72703708595965 4104663 C1CCN(C1)CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.947 2 4 -10.4469247754056 4104667 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Cl)OC 1 4.157 1 6 0 -14.4262471844313 4104699 CC(C)(CN1CCCC1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.587 2 2 -5.02346067485069 4104685 COC1=C(C=C(C=C1)Cl)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.637 1 4 -12.0158497750126 4104622 CCC1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.931 1 3 -10.7853152045176 4104621 C1=CC(=CC=C1CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br)F 1 3.201 1 3 -16.1053596778468 4104620 C1OC2=C(O1)C=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br 1 2.757 1 5 -14.5912299523238 4104619 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 2.867 2 6 0 -16.160695184916 4104597 C1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Cl 1 4.189 1 4 -10.8299811516977 4104414 CC(C)CCNC(=O)CNC(=O)C1=CC=CS1 1 1.631 2 2 0 -18.5897852746723 4104374 CSC1=CC=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3 1 5.606 3 0 -7.08504625812621 4104341 CC1=C(SC=[N+]1CCCCS(=O)(=O)[O-])CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.129 3 9 0 -8.12764680708961 4104337 CC(=O)N=C1N(C=CS1)CC(C2=CC=C(C=C2)OC)O 1 1.103 2 3 0 -9.59788238385388 4104218 CC(=NNC(=S)NCC=C)C1=CC(=C(C(=C1)OC)OC)OC 1 2.779 3 3 -14.6150179121759 4104193 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(=O)C4=CC=CO4)CCOC 1 0.312 6 5 0 -19.6022964521776 4104191 C1CN(C(=N1)SCC2=CN=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4 1 2.509 3 3 -14.2525319085092 4104077 CCC(C)N=C(C(=O)OCC)NNC1=CC=C(C=C1)Br 1 3.581 3 2 -1.49062085313309 4103996 CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C2=CC3=C(C=C2)OCO3 1 3.091 3 4 0 -4.02070304822078 4103961 CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)C(C)C 1 3.521 9 2 0 -26.839509921485 4103945 CCCN(CCC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=NC=C3 1 1.753 10 2 0 -26.7160123783856 4103935 CCCN(CCC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=C(O3)C 1 2.444 9 3 0 -26.8287171570593 4103933 CCCN(CCC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CSC=C3 1 2.565 9 2 0 -28.0498194411055 4103931 CCCN(CCC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CS3 1 2.857 9 2 0 -27.8746520270708 4103842 CC(=O)CN1C(=O)C2=C(N=N1)SC3=C2CCC(C3)C(C)(C)C 1 3.749 3 2 -23.7384423243263 4103825 CCOC1=CC=C(C=C1)N2C(=NC3=C2C=CC(=C3)C(=O)NCC4CCCO4)C 1 3.288 3 3 -12.4032266473989 4103764 CCCN(CCC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=COC=C3 1 2.007 9 3 0 -29.6505940765229 4103757 C1CCN(CC1)C(=O)CCC2=NNC(=O)NC2=O 1 -0.368 4 3 0 -24.0304142675605 4103756 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCC2=NNC(=O)NC2=O 1 -2.e-002 5 5 0 -25.6355137525438 4103746 CCOC(=O)CSC1=NC(=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4 1 4.74 2 3 -1.16892730149226 4103738 CCN(CC)S(=O)(=O)N1CCC(CC1)C(=O)N2CCC3(CC2)OCCO3 1 -0.391 3 5 0 -19.4486592192146 4103720 CC(C)NC(=O)C1=CC(=C(C=C1)N2CC3CC(C2)C4=CC=CC(=O)N4C3)NC(=O)NC5=CC(=CC=C5)OC 1 2.481 5 4 0 -19.3625853431967 4103680 CCOC1=CC=C(C=C1)N2C(=NC3=C2C=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C 1 4.28 3 4 0 -9.70029221610836 4103678 CCOC1=CC=C(C=C1)N2C(=NC3=C2C=CC(=C3)C(=O)NCCN4CCOCC4)C 1 2.755 4 3 0 -10.1323286295093 4103651 CC1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=C(OC4=CC=CC=C43)C(=O)C5CC5 1 4.164 3 3 0.257013650892639 4103647 CCN(CC)CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)O)C(=O)OCC 1 4.717 2 3 -1.21344318851205 4103640 CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(OC4=CC(=C(C=C43)OC)Br)C 1 4.54 2 3 -5.83264072296593 4103503 CN1C(=C(C=N1)Br)C(=O)N2C(CC(=N2)C(F)F)(C(F)F)O 1 1.571 4 2 0 -3.94526855731588 4103501 CC1=C(C=NN1C)C2NC3=CC=CC=C3C(=O)N2O 1 1.256 4 2 0 -4.76626971489283 4103421 CC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=CC=C3OC)OC)OC 1 2.849 1 5 -16.4133208094898 4103406 CC1=CC(=NC2=CC=CC=C12)NN=CC3=CC=CC=C3Br 1 4.771 3 0 9.93353857256358 4103366 CC1=CC(=CC=C1)CC2=C(N3C(=C(C=N3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)N=C2C)C 1 3.852 5 3 0 -12.7632199751844 4103346 CC1(CC2=C(C(C(=C(N2NC3=CC=CC=C3)N)C#N)C4=CC(=C(C=C4)OCC=C)OC)C(=O)C1)C 1 4.175 4 3 0 -29.419467982988 4103309 CC1CC(CN(C1)C2=C(N=C(O2)COC3=CC=CC=C3OC)C#N)C 1 3.621 3 3 -12.3773279712747 4103253 CC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=CC=N3 1 1.107 4 2 0 -8.51400550499372 4103251 CC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CN=CC=C3 1 0.673 4 2 0 -8.11713156718712 4103249 CCOC(=O)NN1C(=O)C2=CC=CC=C2NC1(C)C 1 1.131 3 3 0 -8.01842125373183 4103238 COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=COCCO3 1 1.327 2 5 0 -4.1678266521411 4103229 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC(=C(C=C3)OC)OC 1 1.277 6 5 0 -33.7489827497442 4103199 CC(C)N(C(C)C1=CC=CC=N1)C(=S)NC2=CC=CC=C2OC 1 4.89 3 1 -8.87925844840677 4103173 CC1(CCC(=O)N1CC2=CN=CC=C2)C(=O)NC3CCCCC3 1 1.633 3 2 0 -9.73582037003293 4103171 CC1(CCC(=O)N1CC2=CC(=CC=C2)OC)C(=O)NC3CCCC3 1 2.311 2 3 -8.08217485716083 4103165 CC1(CCC(=O)N1CC2=CC=CC=C2Cl)C(=O)NC3CCCC3 1 2.991 2 2 -7.701391264514 4103134 CCOC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=CS3 1 2.774 3 3 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CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=COCCO3 1 -0.476 2 8 0 -26.6752728927138 4100428 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NCC2=CN=CC=C2 1 1.273 4 3 0 -9.16935078201623 4100368 COC1=NC(=NC(=N1)NCC=C)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.252 6 3 0 -10.7751999296473 4100358 CCC1=NN=C(O1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C 1 1.811 4 4 0 -23.8865216097794 4100345 CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C3=C2N=C(C=C3)C)Cl)Cl)S(=O)(=O)N(C)C 1 3.85 3 4 0 -11.0107733753802 4100018 CCOC1=CC=CC=C1N(C)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)OC)OC 1 4.052 3 5 0 -11.1908654627143 4099928 C1=CC=C2C(=C1)C3=CC=CC=C3C2=NNC4=CC=CC(=C4)C(=O)O 1 4.411 2 2 -6.31601878422827 4099833 CC1CCCC(C1C)NC(=O)CSC2=NN3C(=CC(=NC3=N2)C)C 1 3.357 5 1 -18.5443114229914 4099779 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)CC3=CC=C(C=C3)OC 1 3.284 2 2 -10.4546963552516 4099654 CC(=NNC(=O)C1=CC(=C(C(=C1)O)O)O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.832 3 6 0 -4.5484806251331 4099635 COC1=CC=C(C=C1)C2CC(=NN2C(=S)NC3=CC=CC=C3)C4=CC=CC=C4 1 5.802 3 1 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4 3 0 -14.1708888619417 4099138 C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCCCCC(=O)NCC4=CC5=C(C=C4)OCO5 1 3.885 4 5 0 -17.8279793939753 4099137 C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCCCCC(=O)NCC4=CC=CC=C4Cl 1 4.781 4 3 0 -17.356526983012 4099136 C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCCCCC(=O)NCC4=CC=CC=C4 1 4.117 4 3 0 -16.8077024573081 4099135 C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCCCCC(=O)NCC4=CC(=CC=C4)Cl 1 4.781 4 3 0 -14.0099808536339 4099122 CC1=CC(=CC=C1)CCNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CS3 1 3.87 2 3 -17.5414387866423 4099111 C1C(=NN=C(N2C1=NC=N2)N3C(CC(=N3)C4=CC=CO4)(C(F)(F)F)O)N 1 1.143 8 2 0 0.562607375334469 4099105 CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3 1 1.628 3 3 0 -14.9116672954035 4099104 CC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3 1 1.949 3 3 0 -15.1689205711023 4099103 C1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 0.91 3 5 0 -16.6069212326286 4099102 C1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=C3 1 1.463 3 3 0 -15.9837354758819 4098887 CC(C)C(C(=O)OC)NC(=O)C1=C(N=CC=C1)Cl 1 1.795 2 3 0 -16.3234826183113 4098875 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN=C2SCC 1 2.472 3 3 -18.5503412254094 4098803 C1=CC=C(C=C1)OC2=CC=C(C=C2)OCC(=O)NCC3=CN4C=CC=CC4=N3 1 2.972 3 3 -11.488766189895 4098743 CCOCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3 1 0.919 3 5 0 -22.0656579030495 4098741 C1CC1NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 1.73 2 5 0 -16.1024354954252 4098739 CC(C)CN(CC(C)C)C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OC 1 3.974 2 3 -12.0740412119277 4098737 COC1=CC(=CC(=C1)C(=O)NCCCN2C=CN=C2)OC 1 0.809 3 3 0 -8.54559031001249 4098715 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCCCC4 1 3.307 2 3 -14.815953124377 4098681 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N3CC(=O)C(=C3N)C4=CC=CC=C4 1 2.701 3 3 -17.5151501200118 4098657 CC1=CC=CC=C1NC(=O)C(=O)NN=CC2=CC(=CC=C2)Br 1 3.184 3 2 -6.65427393726111 4098600 CCC12CN3CCN(C1)CC(C3)C2=NNC(=O)C4=CC=C(C=C4)C(C)(C)C 1 3.05 4 1 -6.98248036558593 4098595 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC=C3C(=O)CC(CC3=O)(C)C 1 1.913 4 4 0 -19.9200745497276 4098590 COC1=CC(=C(C=C1)C=NNC2=NON=C2N)OC 1 0.914 5 3 0 -3.91006779573781 4098585 CC(C)(C)C1CCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CC1 1 2.939 4 4 0 -13.4840424443528 4098455 COC1=CC=C(C=C1)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO 1 2.159 5 5 0 4.71092136168858 4098365 CC(C)N1CCC2=C(C1)SC(=C2C(=O)NC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 2.596 4 4 0 -31.2757175529218 4098362 C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=C(C=CC=C3F)F)SCC4=CC=C(C=C4)F 1 5.927 2 1 -13.803695756611 4098350 CCCCC(=O)NC1=NN=NN1CCC 1 1.254 5 1 0 -20.4755373021389 4098333 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)NS(=O)(=O)C5=CC(=C(C=C5)F)F 1 5.295 3 3 -11.0551023014585 4098324 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CO3)C(=O)C4=NC=CN=C4 1 2.982 4 3 0 -22.0320170297108 4098321 CCC(C)NC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S 1 4.176 3 2 -18.1993272975906 4098276 CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC=CO3 1 4.45 3 3 -17.5204811739392 4098274 COC1=C(C=C(C=C1)Cl)NC(=S)N(CC2=CN=CC=C2)CC3=CC=CO3 1 4.894 3 2 -11.7361525140715 4098194 COC1=CC=CC=C1NC(=S)N(CC2=CN=CC=C2)CC3=CC=CO3 1 4.23 3 2 -14.9840721002008 4098170 C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O 1 2.402 3 4 0 -20.4382746008866 4098148 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)NC5=C4CCCC5 1 4.332 3 3 -16.1235569735574 4098023 CCOC(=O)C1CCCN(C1)C(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C 1 3.07 2 6 0 -16.9302048466066 4097999 CCC1=CC=CC(=C1NC(=S)N(CCN(C)C)CC2=CC=CS2)C 1 5.938 3 0 -10.7541342651145 4097992 CCC1=CC=CC(=C1NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CS3)C 1 5.958 4 0 -5.73709624925737 4097985 CCN1CCC2=C(C1=O)C=CC=C2OCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F 1 4.247 3 3 -10.5789408673937 4097934 CSC1=CC=CC(=C1)NC(=S)N2CCCN(C2)CC3=CC=C(C=C3)F 1 5.381 3 0 -2.69426425643029 4097896 CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC=C 1 3.806 2 2 -13.2330213073567 4097870 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)C(=O)N(C1=O)C 1 0.723 3 8 0 -17.272377101612 4097868 CCCCS(=NS(=O)(=O)C1=CC=C(C=C1)C)CC2CC2(Cl)Cl 1 4.22 1 2 -0.903257975039522 4097852 CCCCCCC(=O)NN=C1CCCC2=CC=CC=C21 1 4.272 2 1 -12.6378701704056 4097845 CCCCC(=O)NN=C(C)C1=CC(=CC=C1)NC(=O)C2CC2 1 2.457 3 2 -12.11200927136 4097820 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)C 1 4.326 4 3 0 -14.2163953335848 4097759 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C 1 4.272 1 5 -10.0081162753742 4097727 CCC(=NNC(=O)N)C1=CC=C(C=C1)OC(F)F 1 2.262 3 2 -4.2155842226235 4097588 CC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NC=NN4)N)C#N 1 2.233 6 1 0 -23.2414715006156 4097586 C1=CC(=CC=C1C2=CC(=NC(=N2)N3C=C(C=N3)Cl)C(F)(F)F)F 1 4.986 4 0 8.133135438669 4097370 COC1=CC=CC(=C1)NC(=S)N(CCCN2CCCC2)CC3=CC=CO3 1 4.459 3 2 -7.49190785512683 4097364 C1=CC(=C(C=C1Cl)SCC(=O)NCCCN2C=CN=C2)Cl 1 2.564 3 1 -7.51145027000573 4097276 CC1=CC=C(O1)C(=NNC2=NC(=CC(=N2)C)C3=CC=CC=C3)C 1 3.304 4 1 2.1198403445602 4097248 COC1=CC=C(C=C1)CC(=O)OCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC 1 4.125 2 5 0 -11.0483592395089 4097226 CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCC3 1 2.978 3 3 -24.652144676846 4097208 CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)N(C)C3CCS(=O)(=O)C3 1 -0.139 2 5 0 -12.5953846536413 4097205 CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.436 3 5 0 -20.1961007552745 4097145 COC1=C(C=C(C=C1)C(=O)NCCN2C=CC3=CC=CC=C32)OC 1 3.153 2 3 -16.3692975202698 4097143 C1=CC=NC(=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)C#N 1 1.612 5 2 0 -7.81909187386095 4097142 C1COC(=CO1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4 1 2.343 3 4 0 -7.25660775555408 4097124 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)COC2=CC=C(C=C2)Cl 1 2.127 1 6 0 -11.539366551064 4097071 COC1=CC=CC(=C1OC)C2CN(N=C2C3=CC=CS3)C4=C(C=C(C=C4)F)F 1 5.395 2 2 -4.11428007192502 4097066 COC1=CC=C(C=C1)C2CN=NC23CCCC4=CC=CC=C4C3=O 1 4.733 2 2 3.17945659872505 4097052 CC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=O)NC3=CC(=C(C=C3)C)C 1 4.842 3 1 -5.3285300276526 4097023 CC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)CC(=O)O 1 0.208 2 5 0 -13.9095452595019 4097006 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2=CC=C(C=C2)Cl 1 2.589 2 5 0 -15.0311522308431 4096953 CC(C)NC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S 1 3.653 3 2 -17.7495999744419 4096903 CCOC1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)C)CC3=CC=CC=N3 1 4.202 3 2 -6.07150797953084 4096877 CC1=CC(=C(O1)C)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 4.377 1 4 -12.9668974656303 4096875 C1=CC=C(C=C1)CC(C(=O)OCC(=O)NCC2=CC=CC=C2)NC(=O)C3=CC=CS3 1 3.381 2 4 -20.2247351887548 4096873 CC(=NNC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)N3CCOCC3 1 2.513 3 2 -8.7492738357871 4096775 CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)N(C3=O)C)C 1 1.156 8 2 0 -15.5434573414813 4096725 C1C2=C(N(N=C2CS1(=O)=O)C3=CC=C(C=C3)F)NC(=O)COC4=CC=CC=C4 1 2.508 3 4 0 -5.47189618830813 4096605 CC1=CC(=NC(=N1)C(C)C)SC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2 1 5.153 3 1 -12.0758661433783 4096593 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)CC4=CC(=O)NC(=O)N4 1 2.028 6 4 0 -23.5217500582175 4096565 CCSC1=NC(=C(N1CC(CO)O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.062 2 2 0.620980456474695 4096539 C1CC2=NC(=CN2C3=C1C=CC4=C3N=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-] 1 4.113 4 2 1.27227758133104 4096357 CC1=CC2=C(C=C1)NC(=C2CCN(CC3=CC=CO3)C(=S)NCCOC)C 1 4.658 3 2 -10.6162275297074 4096305 C1COCCN1CCCNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F 1 1.62 3 4 0 -13.2204721260811 4096282 CC12CC(C(C(=O)N1)C(=O)C3=CC=CC=C3OC)C4=C(O2)C=C(C=C4)OC 1 2.399 1 5 -11.4226930873286 4096277 COC1=CC2=C(C=C1)C3C4CCCCC4(O2)NC(=O)C3C(=O)C5=CC=CC=C5 1 3.602 1 4 -7.38764797667695 4096276 CN1CCC23C(C1)C(C(C(=O)N2)C(=O)C4=CC=C(C=C4)F)C5=C(O3)C=C(C=C5)OC 1 2.867 2 4 -3.95014021352889 4096155 CC1=CC=C(C=C1)NC2=NN=C(S2)C3C4CC(N(C3=O)C)(OC5=C4C=C(C=C5)Br)C 1 3.78 4 2 -5.66582964798547 4096154 CC12CC(C(C(=O)N1C)C3=NN=C(S3)NC4=CC=CC5=CC=CC=C54)C6=CC=CC=C6O2 1 3.454 4 2 -7.25341768153522 4096120 CC1=C(N=C(S1)N2C(=O)C3C4CCC(C3C2=O)C4=C(C)C)C5=CC=C(C=C5)F 1 4.331 2 2 -9.31556294911391e-002 4096072 CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3CCCO3 1 3.493 3 3 -20.9691230242351 4096047 C=CCNC(=S)NNC(=O)COC1=C(C=C(C=C1)Cl)Cl 1 3.2 3 2 -12.6911093638355 4096006 COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4 1 0.602 2 5 0 -8.90720212559368 4096003 CN1CCC(=NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl)CC1 1 2.525 5 1 0.554048369584988 4095928 COC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C3=NN=C(CC4=NC=NN43)N 1 1.731 8 2 0 -0.202831164453679 4095937 C1CN(CN(C1)C(=O)NC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)F 1 3.607 3 1 0.832520884591315 4095944 C1CN(CN(C1)C(=O)NC2=CC=C(C=C2)Cl)CC3=CC=CC=C3F 1 3.607 3 1 -1.83407111733674 4095907 CC(=NN(CC1=CC=CC=C1)C2=CC=CC=C2)C3=CN=CC=C3 1 4.068 3 0 -0.908797075526911 4095895 CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CN3CCCCC3)C 1 4.146 2 1 -4.51493213127463 4095881 CC1=C(C=CC=C1Cl)NC(=S)N2CCCN(C2)CC3=CC=C(C=C3)F 1 5.989 3 0 -1.98029953877252 4095875 CC1=C(C(=CC=C1)C)NC(=S)N2CCCN(C2)CC3=CC=C(C=C3)F 1 5.811 3 0 -5.12672105553116 4095867 COC1=CC=CC(=C1)NC(=S)N2CCCN(C2)CC3=CC=C(C=C3)F 1 4.822 3 1 -4.8530049201215 4095859 CC1=CC(=C(C=C1)NC(=S)N2CCCN(C2)CC3=CC=C(C=C3)F)C 1 5.811 3 0 -5.99857965088516 4095818 CC1=NC2=C(S1)C=CC3=C2SC(=N3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5 1 5.114 3 1 -8.54576485965694 4095681 CC1=CC(=C(C=C1)C)CSC2=C(C=CC=N2)C(=O)O 1 3.946 1 2 -8.47138430438916 4095624 CS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCCC(=O)O 1 1.811 3 5 0 -18.4941705071415 4095451 C1=CC=C2C(=C1)C=CC=C2CC(=O)OCN3C(=O)C4=CC=CC=C4N=N3 1 4.261 3 3 -18.3612460998314 4095436 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CNC4=CC=CC=C43 1 4.675 2 3 -17.219237312485 4095323 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-] 1 4.233 3 3 -10.7409578421837 4095300 C1C(=O)N(C2=C(S1)C=CC(=C2)C(=O)NCC3=CC=CO3)CC4=CC=CC=C4 1 2.94 2 3 -15.2652572270876 4095299 CCC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)O)N3CC4CC(C3)C5=CC=CC(=O)N5C4 1 3.135 4 4 0 -9.46635056597586 4095297 COC1=CC=CC(=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)O)N3CC4CC(C3)C5=CC=CC(=O)N5C4 1 2.177 4 5 0 -9.42301114887489 4095163 CC1=NC=C(C2=C1OC(=NC3=CC(=CC=C3)OC)C(=C2)C(=O)N)CO 1 1.21 3 4 0 -0.109912363731569 4095030 CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5 1 4.079 4 4 0 -9.78916337972225 4094910 C1C(=NN(C1(C(F)F)O)C(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br)C(F)F 1 2.863 4 2 -6.07879347403655 4094700 COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)OC 1 2.092 2 5 0 -14.8154306079468 4094710 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.279 3 3 -10.5209682088209 4094668 CC(=O)NC(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCCCO3 1 2.738 1 3 -4.34084366706397 4094643 CC1=CC(=C(C(=C1)C)NC(=S)N(CCN(C)C)CC2=CC=CS2)C 1 5.969 3 0 -9.13333913153403 4094640 CC1=CC(=C(C(=C1)C)NC(=S)N(CCN2CCCCC2)CC3=CC=CO3)C 1 6.327 3 1 -8.69723194172064 4094617 C1=CC(=CN=C1)CNC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.708 3 1 -6.31065608553229 4094376 COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S)OC 1 3.863 3 4 0 -6.89653459038357 4094375 C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CC4=CC=C(C=C4)Cl 1 4.239 3 2 -0.29352628148828 4094374 C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CC4=CC=CC=C4Cl 1 4.239 3 2 -2.74574253198975 4094373 C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCC4=CC=CC=C4 1 3.896 3 2 -3.16043065342835 4094372 C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CC4=CC(=CC=C4)Cl 1 4.239 3 2 -0.25774168206025 4094173 CC1=CC(=NO1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4 1 3.839 3 2 -16.3494107148733 4094123 C1CCC(CC1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NON=C32 1 1.477 4 4 0 -15.2769381585833 4094092 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)N3CCC4=CC=CC=C43 1 2.595 3 2 -20.5718770402869 4093942 CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O)C#N)C3=CC=CS3)C(=O)NC4=CC=CC=C4OC 1 3.526 4 5 0 -39.9629387606031 4093951 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4OC 1 3.934 3 5 0 -15.2465700928657 4093969 CC(=NNC(=S)NCC=C)C1=CC(=CC=C1)NC(=O)C 1 1.949 4 1 0 -15.135564714802 4093866 CC(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 3.698 2 2 -4.82205222409376 4093842 COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3C=CC=N3)C(F)(F)F 1 4.1 4 1 7.79623992459421 4093840 CC1=C(C=[N+](C=C1)C2=C(SC(=N2)[O-])C=NNC(=O)C3=CC=CC=C3)C 1 3.719 4 2 -11.8617378109439 4093781 CN1C=C(C2=CC=CC=C21)SCC(=O)NC3CCCC3 1 3.333 2 1 -10.8259663735581 4093762 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2CCCCC3 1 2.531 4 2 -17.1261076432515 4093727 CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCC(=O)O 1 3.003 1 5 -23.4284251333196 4093665 COC1=CC(=CC(=C1OC)OC)C=NNC2=C(C=C(C=C2)F)F 1 3.81 2 3 -1.23588805552344 4093622 CCCC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=CC=C3OC)OC)OC 1 3.972 1 5 -22.4890851567672 4093603 CC(C1=CC=CC=C1)NC(=O)CSC2=NCCS2 1 2.88 2 1 -18.340422413862 4093560 CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C 1 3.876 3 3 -18.1423433503441 4093413 CC1=C(C=C(C=C1)C(=O)N2CCN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C 1 4.758 3 3 -12.5137767320064 4093356 CC(=O)C1=C(N=C(S1)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.59 2 2 -4.94371400719087 4093144 CC(C1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=C4Cl)NS(=O)(=O)C 1 3.596 5 2 0 -6.08038994870767 4093049 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CCC5=CC=CC=C5 1 3.684 6 3 0 -10.6133276380213 4092915 CC(=O)N1CCN=C1SCC2=CC(=CC=C2)F 1 2.433 2 1 -9.21462631477001 4092884 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CCO)CCC4=CC=CC=C4 1 1.489 6 3 0 -11.5561852814096 4092759 CCCCNC1=NC=NC2=C1C=NN2C3=C(C=C(C=C3)C)C 1 3.853 5 0 -1.01508098068667 4092736 CN1C(=O)CS(=O)C2=C1C=C(C=C2)C(=O)NC3CC3 1 -3.e-002 2 3 0 -11.1696296058249 4092732 CC1=CC=CC=C1NC(=S)NCC2CCN(C2)C(C)C3=CC=CC=C3 1 5.197 3 0 -10.7735543865702 4092730 CC1=C(C=C(C=C1)NC(=S)NCC2CCN(C2)C(C)C3=CC=CC=C3)C 1 5.684 3 0 -9.29280326767473 4092728 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4CCCCC4 1 4.128 2 4 -8.63804177765274 4092647 CC1=CC2=C(C=C1C)N=C(C(=N2)Cl)Cl 1 4.013 2 0 1.78718187815991 4092644 C1CC2C=CC1N(O2)C3=CC=CC=C3 1 2.66 1 1 -1.25015080997193 4092630 C1CC2=CC=CC=C2C(=NNC(=O)CNC3=CC=C(C=C3)F)C1 1 3.311 3 1 -10.8120042110807 4092600 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CC2=CC(=C(C(=C2)OC)OC)OC 1 2.185 2 9 0 -16.4688270494684 4092587 CC(C)C(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CS3 1 2.639 3 3 -14.41690119525 4092545 COC(CNC(=O)C1=CC2=C(C=C1)N(C=N2)C3=C(C=C(C=C3)F)F)OC 1 2.685 3 3 -11.1073956024657 4092542 C1=CC=C2C(=C1)C(=O)NC3(N2)C4=C(C=CC(=C4)Br)NC3=O 1 2.195 3 2 -5.97370342915753 4092454 C1CC2=CC=CC=C2N(C1)CC(=O)NN=CC3=CC=CC=C3 1 3.228 3 1 -13.3810250610205 4092398 CC1=CC=C(C=C1)N(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.914 3 3 -19.9421731922305 4092397 CC1=CC=C(C=C1)N(C)C(=O)OC2=CC=CC3=C2N=C(C=C3)C 1 4.331 2 2 -3.94117991334633 4092396 C1CCN(CC1)C2=NC3=CC=CC=C3N2CC(=O)C4=CC=CC=C4 1 3.808 3 1 -4.34808909002013 4092386 CCCSC1=NC2=C(N1CC(C)O)C=C(C(=C2)C)C 1 4.317 2 1 -3.71355570943802 4092383 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)NC34CC5CC(C3)CC(C5)C4 1 4.415 4 1 -7.71757679524287 4092326 CC1(CC1(Br)Br)C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 2.268 3 4 0 -5.26045364547352 4092223 CCOC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)Br 1 4.355 3 2 -7.04831348560197 4092218 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C 1 0.248 6 5 0 -21.8432595906594 4092215 C1C(OC2=CC=CC=C2O1)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)N 1 1.984 2 5 0 2.67986666213764 4092201 C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br 1 3.362 4 3 0 -7.41522490445939 4092171 C1=CC(=CC(=C1)Br)C2=NN=C3N2C=C(S3)CNCC4=CC=CO4 1 3.106 4 1 4.02267651578172 4092145 CCS(=O)(=O)N1C(CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=CC=C3 1 1.802 3 4 0 -7.31316890326067 4092119 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5 1 3.807 5 4 0 -11.5579091924935 4091984 CC(C)NC(=O)CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=O 1 1.893 3 5 0 -24.9799714205354 4091977 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCCCCC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.519 3 7 0 -22.716279242759 4091974 CCCCNC(=O)CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=O 1 2.496 3 5 0 -23.2264065966023 4091973 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCCCCC(=O)NCC3=CC=CC=C3 1 2.751 3 5 0 -21.6960023060919 4091954 COC1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=S)NCC=C 1 4.037 3 2 -6.78719038671136 4091870 CCOP(=O)(C1=C(OC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])N3CCCCC3)OCC 1 3.229 3 6 0 4.44478492154683e-002 4091869 CCOP(=O)(C1=C(OC(=N1)C2=CC=CC3=CC=CC=C32)N4CCOCC4)OCC 1 3.013 2 5 0 2.55099085254352 4091867 CCOP(=O)(C1=C(OC(=N1)C2=CC=CC3=CC=CC=C32)NCCC4=CC=C(C=C4)OC)OCC 1 4.86 2 5 0 7.15040172111299 4091866 CCOP(=O)(C1=C(OC(=N1)C2=CC=CC3=CC=CC=C32)NCC4=CC=C(C=C4)OC)OCC 1 4.539 2 5 0 5.96091909068481 4091789 COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)NN=C3 1 2.242 3 2 -6.93866607992625 4091826 C1=CC=C(C(=C1)[N+](=O)[O-])SNC2=NC=C(C=C2)Br 1 3.364 3 2 -4.08495667711705 4091803 C1=CC(=C(C(=C1)F)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Cl)F 1 5.04 4 1 -14.8211193099942 4091637 CC1=CC=CC=C1CN2C3=CC=CC=C3N=C2CNC(=O)C 1 2.941 3 1 -8.32189480160551 4091590 CC1=CN2C(=NC(=C2NC3=CC=CC=C3C)C4=CC=CC=N4)C=C1 1 4.856 4 0 0.175922195062674 4091588 CC1=CC=C(C=C1)NC2=C(N=C3N2C=C(C=C3)C)C4=CC=CC=N4 1 4.856 4 0 9.78413338123999e-002 4091566 C1=CC(=C(N=C1)SCC2=CN3C=C(C=CC3=N2)Cl)C(=O)O 1 2.593 3 2 -8.10458690895704 4091565 C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CN=CC=C4 1 2.672 1 3 -5.98114761455573 4091559 CC1=CC=C(C=C1)C(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 4.01 0 3 -6.26913796158748 4091516 CC(C)C1=CC=C(C=C1)C(=O)NN2CCOCC2 1 1.634 2 2 0 -7.40306758568472 4091453 C1=CC=NC(=C1)N(C2=CC=CC=N2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.963 5 5 0 -6.91545595128056 4091366 C1CN(CCC1C(=O)NCCCN2CCC3=CC=CC=C3C2)S(=O)(=O)N4CCC5(CC4)OCCO5 1 0.565 4 5 0 -22.665622211891 4091343 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3CCCO3 1 3.103 2 4 -21.8112890300467 4091312 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 1.347 2 6 0 -22.601015073468 4091311 CC(=NNC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2)C3=CC=NC=C3 1 3.08 3 2 -8.19055382999243 4091309 CC1=CC2=NC(=CN2C=C1)C34CC5CC(C3)CC(C5)C4 1 3.894 2 0 3.96088270386961 4091306 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NC(=O)C3=CC=CO3 1 3.681 3 4 0 -21.6853185046935 4091281 CC1=C(C(=NC2=C(C=NN12)C(=O)OC)C)CC3=CC(=CC=C3)F 1 2.703 3 2 -13.4617268311181 4091210 C1CC(=O)NC1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 1.436 2 4 0 -12.1296323608638 4091112 CC1CCC2=C(C1)SC(=C2C#N)N=CN(C)C 1 2.638 3 0 -9.27539824375362 4091063 COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 1.808 3 6 0 -17.8772072183781 4091055 COC1=CC=CC(=C1)NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 1.936 3 5 0 -14.9456854939873 4091052 CC1=C(SC(=N1)NN=CC2=CC=C(C=C2)C(C)C)C(=O)OC 1 3.432 3 2 -4.6216528290695 4091041 COC1=CC(=CC(=C1OC)OC)NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S 1 3.298 3 5 0 -16.2021623444953 4091038 CCOC(=O)C1=C(C=C(S1)NC(=O)C(C)(C)C)C 1 3.264 1 3 -14.3617511916803 4091022 CC(C)(CNC1=NS(=O)(=O)C2=CC=CC=C21)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 1.507 4 5 0 -16.664545805658 4091004 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=CC=CC=C3 1 1.796 2 5 0 -23.2606562919177 4090906 CC1=CC=CC=C1NC(=S)N2CCCN(C2)CC3=CC=C(C=C3)F 1 5.325 3 0 -5.80093132989839 4090887 COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)NC2=S 1 2.574 4 5 0 -11.0789523577861 4090855 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCN3C4=CC=CC=C4OC3=S 1 4.414 3 2 -3.24818112082614 4090835 CCCN(CCC)CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=CC=C3)OC 1 3.9 4 3 0 -12.0262628791813 4090826 CC(C1=CC=CS1)N(C2CCCCC2)C(=O)NC3=CC(=CC=C3)OC 1 4.801 2 2 -1.71184091967975 4090644 CC1=CC=C(O1)C=NNC(=O)COC2=C(C(=CC(=N2)C)COC)C#N 1 1.413 4 4 0 -12.0391695739938 4090636 CC1=NC(=C(C(=C1)COC)C#N)OCC(=O)NN=CC2=CC=CC=C2 1 1.872 4 3 0 -11.7238619359325 4090592 C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC=CC=C4 1 2.534 2 3 -17.5524025987575 4090590 CCC(C)NC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=CC=CC=C3 1 3.425 2 2 -18.2834732856104 4090495 CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3)C 1 2.352 2 4 -22.0684596125389 4090310 CC1=CC=CC=C1N2C(=C(SC2=S)C(=O)NC3=CC=C(C=C3)F)N 1 4.584 3 1 -5.43939841409069 4090143 C1COCCN1C(C2=CC=CO2)C3=C(N4C(=NC=N4)S3)O 1 1.607 4 3 0 -7.9148199713564 4090129 CC1=C(C(=CC=C1)NC(=O)CSC2=NN3CCCC(=O)N=C3S2)C 1 3.731 4 2 -13.9493107472915 4090016 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCN3C(=O)C4C5CC(C4C3=O)C=C5 1 1.148 4 5 0 -8.41662166556764 4089972 CC1=C(SC(=C1C(C2=CC=CC=C2)NC3=CC=CC=N3)NC(=O)C4=CC=CO4)C 1 4.821 3 2 -8.72448335049406 4089957 CC1=C(C=CC(=C1)O)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4)O)C 1 4.979 0 4 -9.1650912040187e-002 4089794 C1C2C=CC1C(C2C(=O)NCC3=C(C=C(C=C3)Cl)Cl)C(=O)O 1 2.828 1 3 -6.23402836992912 4089730 CC1=CC(=O)N=C(N1)NN=C2C3CC4CC(C3)CC2C4 1 1.818 4 1 0 -9.26740512502624 4089709 C1=CC=C2C(=C1)C(=O)N(S2)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)O 1 3.275 2 5 0 -5.68576512664394 4089541 CC1=CN=C(C=C1)NS(=O)(=O)C2=CC=CS2 1 1.978 2 2 0 -6.020114170448 4089534 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 2.383 2 3 -5.67124236860225 4089528 CC(=NNC(=O)OC(C)(C)C)CC(=O)NC1=CC2=C(C=C1)OCO2 1 1.633 3 5 0 -12.8070779087184 4089492 CN1C(=CC=N1)C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4 1 2.888 5 1 -8.17875983861523 4089485 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC(C)C3=CC=CC=C3 1 4.415 2 2 -14.4425730417018 4089436 CCOC1=CC=CC=C1C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O 1 3.469 4 5 0 -11.0990773108177 4089406 CC(C)CC(=O)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC=N3 1 2.82 3 2 -0.268870641521839 4089378 CC1=CC(=C(C(=C1)C)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CS3)C 1 5.988 4 0 -4.11630111567686 4089362 CC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3 1 2.939 2 3 -16.9947755546408 4089358 CC1=CC(=CC=C1)CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.803 1 3 -14.9665818222041 4089357 CCOC1=C(C=C(C=C1)CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br)OCC 1 3.981 1 5 -21.8980734604309 4089355 CC1=CC=C(C=C1)CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.803 1 3 -16.2256831914463 4089354 CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C 1 3.219 3 5 0 -25.0733681446778 4089333 CC1CCCN(C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCCCC4 1 1.424 4 4 0 -26.3724262639519 4089257 COC1=COC(=CC1=O)C(C[N+](=O)[O-])O 1 -0.746 1 6 0 -3.33267294466176 4089250 CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)NC)[N+](=O)[O-])N)Cl 1 2.198 6 2 0 -1.53400384840199 4089053 CC(C)(C)NC(=O)COC(=O)C1=C2CCCC2=NC3=CC=CC=C31 1 2.926 2 3 -13.0496620134233 4088925 C1COCCN1CCCNC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3Cl)[N+](=O)[O-] 1 3.604 3 4 0 -11.4557712624381 4088939 C1COCCN1CCCNC(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)[N+](=O)[O-] 1 3.604 3 4 0 -8.14922579368249 4088610 CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C(=O)C4=C(C3=O)C(=CC=C4)N)C 1 2.237 3 5 0 -20.8666040050936 4088591 COC1=C(C=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)Br)OCC(=O)O 1 4.428 2 5 0 -19.2016855896587 4088536 CC1=CC(=NO1)NC(=O)CSC2=CNC3=CC=CC=C32 1 2.44 3 2 -14.5861138744563 4088512 CCOC(=O)CC1=CSC(=N1)NC(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F 1 4.653 3 5 0 -5.81339785665055 4088492 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)OC 1 3.275 2 5 0 -6.97706707521754 4088451 CC1NC2=CC=CC=C2C(=O)N1NS(=O)(=O)C 1 -9.e-003 3 3 0 -9.22463278784147 4088432 CC1=CC=C(C=C1)C(=O)NC(=C(Cl)Cl)S(=O)(=O)C2=CC=C(C=C2)Cl 1 4.797 1 3 -6.26160842333162 4088395 CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)OC)NC(=O)C3=NC4=CC=CC=C4S3)C 1 3.815 3 3 -19.4155113941014 4088367 CC1=C(C(=NN1S(=O)(=O)C2=CC=C(C=C2)Cl)C)SC3=CC=C(C=C3)[N+](=O)[O-] 1 4.736 3 4 0 -1.80968247691649 4088356 C1CN(C(=N1)SCC2=CC=CC=C2F)C(=O)C3=CC=CO3 1 3.492 2 2 -12.0325997562242 4088302 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCCOC(=O)C3=CC=C(C=C3)F 1 3.362 2 3 -11.7943350199495 4088240 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)NC3=CC(=CC=C3)Cl 1 3.839 3 1 -2.88915833529435 4088231 CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(CCCC4)C=C3)C 1 4.838 2 3 -24.3724375395617 4088092 CCN(CC)C(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CC4=CC=C(C=C4)OC)OCO3 1 3.535 3 5 0 -19.3384659223689 4088102 CCCS(=NS(=O)(=O)C1=CC=C(C=C1)C)CC2CC2(Cl)Cl 1 3.764 1 2 -0.406464335156007 4088109 CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C4=NC(=NN42)C)C 1 3.174 5 1 -14.513377245626 4088111 CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)F)C(=O)C(=CC4=CC=C(C=C4)C(=O)O)S2)C 1 4.288 2 5 0 -28.7530610342931 4088069 C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br 1 3.57 4 3 0 -12.4049452695025 4088032 CC1=C(C(C2=C(N1)C3=CC=CC=C3S2(=O)=O)C4=CC=C(C=C4)OC)C#N 1 2.207 2 3 -11.740940854098 4087965 COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)N4CCC5(CC4)OCCO5 1 2.59 3 4 0 -4.82006073197776 4087962 COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)NCC4CCCO4 1 2.678 3 3 -9.50028984624329 4087960 CC(C(=O)NC1=NN=C(S1)C2=CC=CC=C2)SC3=NN=CN3C 1 2.002 6 1 0 -14.4509348580913 4087957 CCNC(=S)N1CCN2C=CC=C2C1C3=CN=CC=C3 1 2.89 4 0 -15.4352237695959 4087905 COC1=CC=C(C=C1)C(=O)CC2=CC3=CC=CC=C3OC2=O 1 3.282 0 4 -3.49553975212169 4087902 CCOC1=CC=C(C=C1)C(=O)CC2=CC3=C(C(=CC=C3)OC)OC2=O 1 3.614 0 5 -4.11348917848345 4087815 CCC1=NOC(=C1C(=O)NC2=NN=C(S2)C3CCCCC3)C 1 3.024 4 2 -16.9984502862758 4087813 CC(C)OCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3 1 2.678 3 2 -15.1570637762101 4087775 CC1=C(OC(=[N+]1[O-])C2=CC(=CC=C2)Br)C 1 1.984 1 2 0 4.29501057183699 4087717 CC1=CC=CC=C1NN=CC2=C(N=C3N2C=CC=C3)C 1 3.386 4 0 -1.00572136900937 4087712 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.372 1 4 -9.77579128877827 4087656 CC1=CC(=C(C=C1)O)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3 1 3.283 2 4 -5.14262046603169 4087636 CC(C)C1=CC=C(C=C1)OCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O 1 3.882 2 4 -10.7161273572216 4087632 CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O 1 3.66 2 4 -13.7390881579533 4087630 CC1=C(C(=CC=C1)OCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C 1 3.66 2 4 -9.54958582514002 4087511 CC1=CC(=C(C=C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)O 1 3.283 2 4 -5.68188680864964 4087509 COC1=CC(=C(C=C1NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)Cl)OC 1 3.67 2 5 0 -12.1248159947063 4087445 C1CC2=C(C1)SC(=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCOCC5 1 2.149 3 5 0 -21.5246425178377 4087395 CCCSC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCOC(=O)C 1 2.356 4 5 0 -5.2682949884048 4087340 CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CCCCC2 1 3.162 2 5 0 -10.9588994226221 4087256 CC1=CC=CC2=NC(=C(N12)NC3=CC4=C(C=C3)OCCO4)C5=CC=CO5 1 4.07 3 3 -1.72297611946128 4087223 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)NC(=O)NC3CCCCC3 1 3.762 3 4 0 -15.0803954938056 4087221 CC(=NNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])C2=CN=CC=C2 1 1.11 4 4 0 -9.36265043504888 4087198 CC1=CC(=CC=C1)NC(=S)N2CCN3C=CC=C3C2C4=CN=CC=C4 1 4.882 4 0 -12.2193315041441 4087131 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)C4CCCCC4 1 3.636 3 3 -11.9249155798179 4087132 C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(O3)CNC(=O)C4=CC=CS4 1 2.142 4 3 0 -27.2538052162231 4087141 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 1 3.103 3 4 0 -18.0276395071423 4087175 CCCNC(=O)CCN1C2=CC=CC=C2OC1=S 1 3.245 2 2 -12.7124935870688 4087172 CN(C)C1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3OC2=S 1 4.111 3 2 -8.3963997594151 4087011 CC1=NN=C(S1)NC(=O)CSCCC(=O)OC 1 0.121 3 3 0 -20.7048300926162 4087010 CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)N2CCC3=CC=CC=C3C2 1 2.889 3 3 -20.2732683499596 4086968 COC1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=COCCO3 1 0.352 3 5 0 -6.55921001104848 4086896 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCN3C=CN=C3 1 1.329 4 3 0 -7.88293590098142 4086881 COC1=C(C=CC(=C1)C=NNC2=CC(=C(C=C2)Cl)C(=O)O)OC(=O)C3=CC=CS3 1 5.112 2 5 0 -11.0342907118937 4086847 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CN=CC=C3 1 1.188 3 3 0 -12.6840497997155 4086810 COC(=O)C1=CC(=C(C=C1)SCC(=O)NC2CCCC2)[N+](=O)[O-] 1 2.583 2 5 0 -16.8595597488514 4086806 CC1=CC=CC=C1CS(=O)(=O)CCC(=O)O 1 1.578 0 4 0 -9.73760717080762 4086763 C1CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC=CC=C4 1 4.503 2 2 -15.7769110695495 4086754 CCC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)N4CCC5(CC4)OCCO5 1 4.384 2 3 -3.92532078878958 4086736 CCC1=CC=CC=C1NC(=S)N(CCN2CCCCC2)CC3=CC=CO3 1 5.811 3 1 -9.85431573613612 4086734 CCC1=CC=CC=C1NC(=S)N(CCN2CCCCCC2)CC3=CC=CO3 1 6.268 3 1 -9.85431573613612 4086724 CCC1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3=CC=CS3 1 5.202 3 1 -9.66636621136926 4086718 CCC1=CC=CC=C1NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CS3 1 5.472 4 0 -5.27338491009235 4086584 CC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br)Cl 1 2.166 4 3 0 -12.4516786213498 4086569 CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(CCOC)C(=O)CCl 1 3.104 2 3 -14.7194658967928 4086559 COC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2Cl)CC3=CC=CC=N3 1 5.927 3 1 -9.70977668850562 4086502 CC(C)C1=NN=C(S1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=C(C=CC=C3F)F 1 3.083 6 2 0 -23.8463023496496 4086500 C1=CC=C(C=C1)C=NNC(=O)CNC(=O)COC2=CC=C(C=C2)Cl 1 2.242 3 3 -10.4099114787234 4086499 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.118 5 4 0 -15.1419603120076 4086498 CC(C)C(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)F 1 3.426 3 1 -15.6007275246713 4086404 CC1=CC=C(C=C1)CSCCC(=O)NCCC2=CC=C(C=C2)Cl 1 4.742 1 1 -11.7115281094882 4086402 CC1=CC=C(C=C1)CNC(=O)CCSCC2=CC=C(C=C2)C 1 4.242 1 1 -14.9513992541583 4086401 CC1=CC=C(C=C1)CSCCC(=O)NCCC2=CCCCC2 1 4.5 1 1 -16.604279125702 4086400 CC1=CC=C(C=C1)CSCCC(=O)NCC2=CC=C(C=C2)OC 1 3.74 1 2 -14.5380465210849 4086372 CC1=CC=C(S1)C=NNC2=C(C=C(C=C2)F)F 1 3.958 2 0 4.38490736452357 4086341 CN(C1CCCCC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC 1 2.455 3 5 0 -21.0233231357042 4086117 CC1=C(C=C(C=C1)S(=O)(=O)NN=C2CC(OC3=CC=CC=C23)C4=CC=CC=C4)[N+](=O)[O-] 1 4.277 3 5 0 -3.7049320432772 4086111 CC(C(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=CC=C3)OC4=CC=CC=C4 1 2.786 3 4 0 -8.89420187236616 4086003 CC(C(=O)OC)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3 1 1.775 4 3 0 -8.37570216969023 4085972 CC1=CC2=C(C=C1)OC3(CCCC3)CC2SCC(=O)NCCC4=CC=CC=C4 1 4.981 1 2 -10.6863184131996 4085918 COC1=CC=CC=C1NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 1.936 3 5 0 -18.2655021227205 4085830 CC1=CC2=C(N1C)C=CC(=C2)CNC(=S)NCC3=CC=CC=C3 1 4.469 3 0 -6.44093937513671 4085760 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NC4=CC=CC=C4Cl 1 2.617 3 4 0 -14.733123103739 4085759 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NC4=CC=C(C=C4)F 1 2.158 3 4 0 -14.0801534275407 4085659 C1CC(=O)NC1C(=O)OCC2=C(C=CC=C2Cl)Cl 1 2.384 1 3 -11.4211930886951 4085478 CC1=C(C(C2=C(N1)C3=CC=CC=C3S2(=O)=O)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OCCC#N 1 2.13 2 7 0 -24.6946527901761 4085449 C1CCC(C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CS4 1 4.143 3 2 -20.3997024303164 4085426 C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br 1 4.04 3 3 -14.4830558488766 4085379 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br 1 3.912 2 3 -7.2743550748322 4085378 CC1=CN=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 2.863 2 3 -13.8898175432569 4085368 CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CC2CC3CCC2C3 1 3.855 1 3 -2.22703535884087 4085279 COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)NC2=S)OC 1 2.782 4 5 0 -18.1494606834932 4085141 COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F)C5=CC=CC=C5 1 3.117 3 7 0 -25.5941818587921 4085083 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=S)N3)C4=CC=C(C=C4)C(=O)O 1 3.495 2 4 -5.09070070560856 4085058 C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])N4CCOCC4 1 1.508 8 4 0 -5.26139099058607 4085012 CC1CCCCC1NC(=O)CSC2=NN3C(=CC(=NC3=N2)C)C 1 3.106 5 1 -20.6714497047726 4085011 C1=CC=C2C(=C1)C(=O)N(C(=O)N2)C3=C(C=C(C=C3)Cl)Cl 1 3.676 2 2 -1.5777839453631 4084981 C1=CC(=CN=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])N 1 1.387 3 3 0 -2.32101183423016 4084957 CC(C)C(=O)NC1=NN=C(O1)C2=CC=C(C=C2)OC 1 1.904 3 3 0 -5.23290067606778 4084784 C1=CC=C2C(=C1)C(=CN2)C(C3=CC=C(C=C3)F)NC4=CC=CC=N4 1 4.721 3 0 1.95244569493688 4084703 CC1CN(CC(O1)C)C(=S)NC2=CC=C(C=C2)SC(F)F 1 4.854 2 1 -14.0365172249865 4084701 CCC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=CC=C2Cl)C3=CC=C(C=C3)F 1 3.113 3 3 -11.6322987819511 4084659 CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NC2=C(S1)CCCC2 1 2.868 3 3 -12.7794736490727 4084629 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC3=NS(=O)(=O)C4=CC=CC=C43 1 3.822 2 4 -16.3248394141606 4084611 COC1=CC(=CC(=C1OC)OC)NC(=O)CCN2C3=CC=CC=C3OC2=S 1 3.9 2 5 0 -10.7561395810579 4084606 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC=C(C=C2)N(C)C 1 2.088 3 4 0 -15.1673045851237 4084603 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 1.954 4 5 0 -13.6669300902367 4084525 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCCCC3C)C 1 4.045 3 2 -16.5246717009665 4084516 CCCC(=NNC(=O)C1=CSC(=C1C)C)C2=CC=C(S2)Cl 1 4.493 2 1 -4.05487481317492 4084501 CC(=O)NC1=NN=C(O1)C2=CC=CC=N2 1 6.9e-002 4 2 0 -4.88627532415416 4084464 COC1=CC=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.827 2 4 -10.5931446444523 4084417 C1COCCN1C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S 1 1.343 3 3 0 -14.6180856771365 4084401 CC(=NNC(=O)C1C2C1CCCC2)C3=C(C=C(C=C3)OC)OC 1 2.768 2 3 -5.3107604186325 4084352 CCCN1CCOC(C1=O)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 0.921 3 5 0 -13.7858795799207 4084302 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN4CCCC(=O)N=C4S3)C5=CC=CS5 1 4.497 5 3 0 -14.7048009191694 4084264 COC1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=NC=N3)C(F)(F)F 1 3.416 5 1 0.10834601146931 4084263 COC1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=CN=C3)C(F)(F)F 1 3.543 4 1 3.79465424487315 4084262 COC1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=C(C=N3)Br)C(F)(F)F 1 4.848 4 1 7.69216499867483 4084202 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NN=C2CCN(CC2)C(C)C)[N+](=O)[O-] 1 2.379 5 4 0 -17.6501396883415 4084131 CC(CCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3 1 4.365 2 3 -17.4652271476309 4084129 C1CC1C(=O)N2CCC3=CC(=CC(=C32)S(=O)(=O)CCC(=O)O)Br 1 1.992 1 5 0 -20.5548051417348 4084123 CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3)Br 1 3.302 2 3 -15.022501503642 4084096 C1CNC(=O)N(C1)CC2=CC=C(C=C2)F 1 1.245 2 1 0 -9.43029589254915 4084010 C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1C(=O)C3=CC=CC=C3F)C4=CC=CC=C4 1 4.116 2 2 -16.6127738937371 4083996 CCCN(CCC)C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OC 1 3.335 2 3 -11.6850454085879 4083986 CCN1C2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C3C1=O 1 3.087 1 3 -1.97010047604265 4083983 CCN1C2=C(C=CC(=C2)C(=O)OCC)SC3=CC=CC=C3C1=O 1 3.662 1 3 -5.08455728247586 4083923 CC1=CSC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.027 3 1 -6.36772827497261 4083896 C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC(=CS4)COC5=CC=CC=C5 1 4.285 2 2 -3.89167733157083 4083880 CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)C3C4CCC(C4)C3C2=O)C 1 2.49 1 5 -13.6559700815681 4083856 C1=COC(=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)Cl 1 1.968 4 4 0 -19.2364200294138 4083817 COC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3 1 3.022 2 4 -9.26916566008374 4083692 C1=CC2=C(C=CN=C2C=C1Cl)NN=CC3=CC=C(O3)[N+](=O)[O-] 1 3.713 4 3 0 2.35428306106612 4083626 CC(C)(C)C1=CC=C(C=C1)N2C(=O)CC3=C2N=C(C(=C3N)C#N)N 1 2.315 5 1 -3.39327304335847 4083625 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3)Br 1 3.854 4 3 0 -4.56460983074293 4083602 CCCCN(C)C(=O)C1=CN(C2=C(C1=O)C=CC(=N2)C)CC 1 2.289 3 2 -7.88237119792614 4083493 CC1(CC1(Cl)Cl)C(=O)NCCCCCCCCCNC(=O)C2(CC2(Cl)Cl)C 1 4.313 2 2 -8.11088896708004 4083482 COP(=O)(C(=NNC1=CC=C(C=C1)[N+](=O)[O-])C=O)OC 1 0.83 3 6 0 -3.10367930545277 4083481 C1=CC=C2C(=C1)C(C(=O)N2)C(=O)C(=O)NCC3=CC=NC=C3 1 0.312 3 3 0 -12.4555564306657 4083470 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=COCCO4 1 0.722 4 6 0 -20.8208906835929 4083369 CC1CC(CC(C1)(C)C)NC(=O)C2C3CCC(C2C(=O)O)O3 1 1.815 1 4 0 -8.35387046773028 4083397 CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C 1 3.192 3 4 0 -14.3943822843172 4083213 CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=CS4)C(=O)OC5CCCCC5 1 4.829 3 2 -21.6946014932918 4083205 CC(=NNC(=S)NCC1=CC=CC=C1)C2CCCCC2 1 4.248 3 0 -7.48754284440675 4083155 C1=CC(=CC(=C1)Cl)CSCCC(=O)NCCC2=CC=C(C=C2)Cl 1 4.92 1 1 -11.0748523909459 4083010 CCOC1=C(C=C(C=C1)CNC(=O)CCSCC2=CC=CC=C2F)OC 1 3.791 1 3 -20.8414389535719 4083008 C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)COC4=CC=CC=C43 1 1.969 3 3 0 -7.38931420462977 4082941 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(O3)Br 1 2.943 1 4 -10.9162451927672 4082849 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5 1 3.372 3 3 -9.94954717497723 4082835 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=CC(=C(C=C3)OC)OC 1 1.789 3 5 0 -13.7921262895774 4082815 CC1=C(C(=CC=C1)NC2=NN=C(S2)SC3CCOC3=O)C 1 2.996 3 2 -2.45275423404097 4082812 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)C4=CC=C(C=C4)O 1 0.734 3 8 0 -21.402806765018 4082788 CC1CC2=CC=CC=C2N1C(=O)CCN3C(CC(NC3=S)(C)C)C 1 3.577 3 1 -13.1681927007553 4082728 C1CCC(=CC1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 4.348 3 1 -10.8769900770597 4082674 CC1=CC(=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5)C 1 3.207 3 5 0 -10.4943625064595 4082636 C1=CC=C(C(=C1)NNC(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-] 1 3.104 4 3 0 -1.9901731098338 4082630 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSC(CC(=O)O)C(=O)O)Cl 1 0.247 2 8 0 -26.7537860088224 4082406 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.421 3 7 0 -14.5021578086264 4082381 C1CCC(C(C1)NC2=CC=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC=C3 1 4.293 2 2 -5.90977089033209 4082378 C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)Cl 1 5.139 2 2 -7.37363900521008 4082370 CC(CNC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.389 4 6 0 -10.1926072562631 4082365 CCN1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C 1 2.231 2 2 2.2770633558692 4082362 C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC=C3 1 3.192 3 3 -32.6517739164799 4082241 C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.515 3 4 0 -13.0178906861591 4082205 CCCCCC(C)NC(=O)C1=C(OC=C1)C 1 2.906 1 2 -10.6091158578624 4082076 CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC4=CC=CC=C4C3 1 2.043 5 3 0 -21.2662274456518 4082051 CCN1C2=CC=CC=C2N=C1CNC(=O)C3=CC(=CC=C3)C 1 3.371 3 1 -6.60253827641338 4081975 COC1=CC=CC(=C1)CNC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)OC(F)(F)F)N 1 4.29 5 3 0 -10.5817734632946 4081808 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(N=N3)C4=CC=C(C=C4)OC(F)(F)F)N 1 4.075 5 4 0 -11.8357080350518 4081723 CC(=NNC(=O)OC(C)(C)C)C1=CC=C(C=C1)N2C=CN=C2 1 2.243 4 2 -9.37779683273644 4081722 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)Cl 1 2.504 4 3 0 -14.3673165762592 4081717 CC1CC(=S)NC2=CC=CC=C2N1C(=O)NC3=CC=CC=C3 1 3.532 3 1 -9.19834337900436 4081703 CCCCCCC(=O)OCC(=O)C1=CC2=C(C=C1)OCC(=O)N2 1 2.558 1 5 -15.7967208014328 4081605 CCCCNC(=S)NNC(=O)C1=C(OC=C1)C 1 1.997 3 2 0 -12.3859313000374 4081601 CCC(CC)C(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)F 1 3.829 2 2 -17.5749102604486 4081553 COC1=C(C=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CC=C3)OC 1 2.829 2 5 0 0.616154157087699 4081549 CC1=C(C(=C(S1)NC(=O)C2C3CC(C2C(=O)O)C=C3)C(=O)N)C4=CC=C(C=C4)C(C)C 1 3.139 2 4 -4.50570028935079 4081522 CC1=CC=CC=C1NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 3.608 3 2 -15.0862200415705 4081477 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 1.4 2 8 0 -27.0593017699152 4081388 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NCC4=CC=C(C=C4)Cl 1 2.624 3 4 0 -16.6146467298505 4081386 CC(C1=CC=CC=C1)NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 2.337 3 4 0 -18.8758174959991 4081384 COC1=CC=CC=C1CNC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 1.943 3 5 0 -21.1322824576597 4081383 COC1=CC=C(C=C1)CNC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCOCC4 1 1.943 3 5 0 -18.8496116295814 4081382 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NCC4=CC=C(C=C4)F 1 2.165 3 4 0 -17.724768394972 4081381 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NCC4=CC=CC=C4Cl 1 2.624 3 4 0 -19.9686978479332 4081380 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NCC4=CC=CC=C4 1 1.96 3 4 0 -19.4198733222293 4081289 CC(C1=CC=CC=C1)NC(=O)COC(=O)CSCC2=CC=CC=C2 1 3.106 1 3 -18.6902074298929 4081288 CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SC3CCOC3=O 1 3.217 3 2 -4.82277721431872 4081180 CC1CC1C(=O)OCC(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 3.002 1 3 -9.83658273095589 4081147 C1C2=C(N(N=C2CS1(=O)=O)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=CO4 1 1.756 4 6 0 -6.9211363819585 4081146 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)C(NC(C4)(C)C)(C)C)C#N 1 2.908 4 4 0 -39.886323986742 4081143 CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)CC4=CC5=C(C=C4)OCO5 1 3.239 2 7 0 -15.5236528917942 4081072 COC1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=N3 1 3.568 4 2 -9.400380554686 4081069 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCC3=NS(=O)(=O)C4=CC=CC=C4N3 1 2.141 5 5 0 -11.8772957613387 4081068 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=C(C=C2)F 1 2.49 1 4 -2.02330968526072 4081032 COC1=C(C=CC(=C1)C=NNC2=CC=CC=C2)OC(=O)C3=CC=CS3 1 4.817 2 3 -8.30958648005815 4081030 CCOC1=C(C=C(C=C1)C(C)NC(=O)CC2=CC=CC=C2)OCC 1 3.698 1 3 -14.0468134279218 4080996 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC(=O)N(C(=O)C2)CCC3=CC=CC=C3 1 2.559 2 4 -11.2796400687343 4080952 CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C=C2C#N)C(=O)CCC3)S(=O)(=O)N(C)C 1 2.407 4 4 0 -24.0916700587997 4080888 CC1=CC(=CC=C1)NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)CC3=CC=CC=N3 1 6.054 3 2 -9.80146894572527 4080810 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N(CC(C)C)CC(C)C 1 0.707 3 4 0 -17.1585249396251 4080777 CCCCC(=O)NC1=NC2=C(S1)COC3=CC=CC=C32 1 3.288 2 2 -5.16872948682604 4080742 CC1=CC(=CC=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CO3 1 4.188 3 2 -8.30107621242139 4080547 COC(=O)C1=C(N=CC=C1)NC(=S)NC2CCCCC2 1 3.614 3 2 -10.8754547733952 4080490 CC(=NNC(=O)C1=CC=CC=C1)C2=CC=CC=C2Br 1 3.412 2 1 -7.64483003474512 4080482 COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)COC3=CC=CC=C3)C4=CC=CC=C4 1 3.942 2 5 0 -11.5346421041967 4080445 CN1CN(CN=C1N[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-] 1 3.326 6 4 0 -7.30277869243122 4080434 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)OC 1 5.402 3 3 -10.1015792323014 4080428 C1C(=NN(C1(C(F)F)O)C(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Br)C(F)F 1 3.67 2 4 -4.27201561620893 4080399 CCOC(=O)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O 1 2.315 3 3 -11.7027401925745 4080346 CC(C(=O)OCC(=O)C1=CC=C(C=C1)Br)N2C(=O)C3C4CC(C3C2=O)C=C4 1 2.306 1 5 -10.0205825560594 4080332 C1CCN(CC1)C(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4 1 2.621 2 4 -3.86423236523007 4080323 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN=C(S3)NCC4=CC=CO4 1 2.36 3 3 -3.73236087054538 4080310 CC(C1=CC=CC=N1)N(CCN(C)C)C(=S)NC2=CC=CC=C2F 1 4.524 4 0 -6.94698160918045 4080272 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)Cl 1 4.978 4 3 0 -19.4654259777599 4080224 C1CCCN(CC1)CCNC(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O 1 4.397 5 1 -16.5746071227062 4080219 CCCCN(CC)CCCNC(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O 1 4.763 5 1 -19.2814060497774 4080216 C1CCC2=NC3=C(C=C(C=C3)NC(=S)NC4CC4)C(=O)N2CC1 1 3.375 4 1 -16.6364917724559 4080136 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCC3=CC=CC=C3)C 1 3.98 3 2 -12.8557516562839 4080133 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Br)C 1 3.436 5 4 0 -21.2875951385144 4080132 CC1=C(C(=NN1CCCC(=O)NC2=C(C3=C(S2)CCC3)C#N)[N+](=O)[O-])Br 1 3.605 5 3 0 -26.6750178291433 4080124 CC1=C(C(=NN1)SCC(=O)NCC(C)C)[N+](=O)[O-] 1 1.646 4 3 0 -13.6455089632836 4080123 CC1=C(C(=NN1)SCC(=O)N2CCCCC2)[N+](=O)[O-] 1 1.577 4 3 0 -10.3727176697469 4079990 CC1=CC=C(C=C1)CNC(=O)C(C)C2C(=O)NC3=CC=CC=C3S2 1 3.153 2 2 -11.4388058447395 4079947 CC(C(=O)NC1=C2CS(=O)CC2=NN1C3=CC=C(C=C3)OC)OC4=CC=CC=C4 1 2.674 3 4 0 -6.45978661832604 4079918 CC1=C(C(=NN1)SCC(=O)N2CCOCC2)[N+](=O)[O-] 1 0.348 4 4 0 -11.9410141195225 4079917 CC1=C(C(=NN1)SCC(=O)N2CCCCCC2)[N+](=O)[O-] 1 2.033 4 3 0 -10.3727176697469 4079876 CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)OC)OC 1 3.209 2 5 0 -15.0513154111186 4079846 CCOC1=CC=C(C=C1)NC(=O)NCC2=CC=CN2C 1 2.239 3 2 -8.09808645885462 4079844 CC1=C(C=C(C=C1)NC(=O)NCC2=CC=CN2C)C 1 2.879 3 1 -7.16681191264257 4079775 C1CN(CCC12OCCO2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)F 1 2.413 2 5 0 -20.9343184680457 4079769 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)F)F 1 4.273 2 3 -13.6269262169833 4079733 CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC 1 2.118 1 4 -5.91195931049678 4079690 CC1CN(CC(O1)C)C(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3 1 1.239 2 5 0 -24.2364448125922 4079689 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5 1 3.316 4 4 0 -21.5954688945639 4079675 CN=C(C1=CC=CC=C1)NC2=CC=C(S2)C(=O)OC 1 2.808 2 2 -6.25965467004586 4079627 COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4CCCCN4C3=O 1 2.055 4 3 0 -4.54539857511687 4079622 CCOC1C(=O)NC(=O)N1CC2=CC=CC=C2 1 1.265 2 3 0 -5.33778100379814 4079495 C1=CC(=CC=C1NC(=S)NNC(=O)CN2C(=CC(=N2)C(F)F)C(F)F)[N+](=O)[O-] 1 3.297 6 3 0 -13.3672791941207 4079433 COC1=CC=C(C=C1)N2C(=NNC2=S)CNC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 3.886 4 3 0 -11.5584668929015 4079417 CC1=CC(=NC(=N1)SCC(=O)NCC2COC3=CC=CC=C3O2)C 1 2.202 3 3 -15.4697992336707 4079410 CCC1CCCCN1C(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl 1 4.182 1 3 -10.700823779513 4079323 CN1C=NN=C1SC(C2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)Cl)Cl 1 4.167 4 1 -14.7644659111598 4079301 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=CC(=CC=C3)Br 1 3.151 1 3 -4.22963798962114 4079256 CC1=CC(=NO1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-] 1 2.271 4 4 0 -15.4891331018508 4079217 CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)N 1 2.27 2 2 -5.75660615151317 4079216 COC1=C(C=C(C=C1)C=NN=C(C2=NON=C2N)N)OC 1 0.73 6 3 0 -7.43068257134109 4079200 CN(C)CCCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=C(C=CC=C3F)F)O 1 2.754 4 3 0 -6.34591629434759 4079117 C1CN(CCN1C2=CC=C(C=C2)F)C(CNS(=O)(=O)C3=CC=C(C=C3)F)C4=CN=CC=C4 1 3.381 4 2 -11.8601197008581 4079077 CC(=NNC(=O)C1=CC=CC=C1)CCC2=CC=CC=C2 1 3.145 2 1 -8.1669744850892 4079071 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=C4CCCCCC4=NC5=CC=CC=C53 1 5.142 2 3 -10.7004715873019 4079069 CCC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC 1 1.202 2 6 0 -13.793268164559 4079061 CC(C(C1=CC=CC=C1)N2CCOCC2)NC(=O)C3CCC(CC3)C(C)(C)C 1 4.482 2 2 -12.205393187047 4079028 C1=CC=C2C(=C1)N(C(=S)O2)CCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F 1 4.049 3 4 0 -7.49450629530107 4079002 CC1=CC(=CC=C1)CC2=C(N3C(=NC(=N3)SCC(=O)O)N=C2C)C 1 3.811 4 2 -15.2867195166125 4078942 CCS(=O)(=O)NCC(C1=CN=CC=C1)N2CCN(CC2)C3=CC=CC=C3OC 1 1.726 4 3 0 -14.9145375255141 4078786 CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=CC3=CC=CC=C32 1 3.171 2 2 -7.99425239793715 4078759 C1C2C=CC1C3C2C(=O)N(C3=O)NC(=O)C4=CC=CO4 1 0.339 2 4 0 -3.56361806515953 4078747 CC1CC(CN(C1)C(=O)C2=CC3=C(S2)N=C4C(=CC=CN4C3=O)C)C 1 2.831 3 2 -19.9927465099853 4078623 C1CC(CC=C1)C(=O)NNC(=O)C2=CC(=CC=C2)Br 1 2.637 2 2 -5.42900103479653 4078603 CC1=NC=C(N=C1)C(=O)NC(C)CCC2=CC=CC=C2 1 2.186 3 1 -14.0038403357868 4078385 CC1=CC(=O)N=C(N1)NN=CC2=C(N(N=C2C)C3=CC=CC=C3Cl)Cl 1 3.04 6 1 0 -11.7593082242068 4078365 CC1=CC(=NO1)C(=O)NC2=CC3=C(C=C2)OCO3 1 1.41 2 4 0 -13.658242374663 4078255 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCC4=CC=CC=C4C3 1 2.192 3 3 -21.6728767492813 4078248 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CC(=O)NC5=CC=CC=C54 1 4.267 4 1 1.67843438847353 4078192 CC1=C(C(=NN1CCCC(=O)NC2=C(C=C(C=C2Br)F)F)C)[N+](=O)[O-] 1 3.167 4 3 0 -10.4623189490735 4078189 CC1CCN(CC1)C2=NC(=O)C(=C(N2)C3=CC=C(C=C3)OC)C#N 1 2.194 4 2 -8.71401832232665 4078184 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)SC)C4=C(OC5=CC=CC=C5C4=O)O 1 4.936 2 4 -7.8877447246245 4078162 CCOC(=O)C1=C(OC(=C(C1C2=C(OC(=C2)SCC)C)C#N)N)C 1 2.228 2 4 -12.9831533589298 4078131 C1COCCN1C(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)F 1 2.867 2 2 -13.3407132081174 4077979 CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(CNCCN(C)C)O)C3=CC=CC=C3 1 3.361 2 5 0 0.185227864120152 4077927 CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)SC3=NNC(=N3)C4=CC=C(C=C4)C 1 4.628 4 3 0 -2.12058565130538 4077920 CN(CN=C(N)N[N+](=O)[O-])S(=O)(=O)C1=CC=CC=C1 1 2.173 5 4 0 -8.62037274215318 4077805 CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=S)N3)CC=C 1 3.604 2 2 -6.54418248209003 4077795 CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCOC 1 2.122 3 3 -13.7863256214634 4077789 CCCCC1=NN2CCS(=O)(=O)N=C2S1 1 1.208 3 2 0 -8.61688524744928 4077784 CCOC(=O)CSC1=NN=C(N1C)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.328 5 6 0 -38.1799904360169 4077757 CN1C=C(C=C1P(=S)(N2CCOCC2)N3CCOCC3)P(=S)(N4CCOCC4)N5CCOCC5 1 -0.733 5 4 0 -3.51541677219106 4077737 CCNC1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 5.134 1 1 -7.17568735293732 4077736 C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F 1 2.848 4 3 0 -24.4368701433806 4077727 CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C(=NN2C)C)Cl)[N+](=O)[O-] 1 3.881 5 4 0 -9.50771187388633 4077726 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N(CC3=C(N(N=C3C)C)C)C(=S)NC4=CC=C(C=C4)Cl 1 5.556 5 2 0 -2.45765195586607 4077603 COC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4)OC 1 3.252 3 5 0 -20.1381596089161 4077604 C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F 1 3.491 3 3 -15.8240191465052 4077538 C1CCN(C(=O)C(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4 1 4.031 1 4 -8.23572929933347 4077389 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC4=CC=CC=C4S3 1 4.529 4 2 -13.3225736034336 4077430 C1=CC=C2C(=C1)C=CC=C2C(=O)COC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5 1 5.196 2 4 -13.0703269323799 4077401 C1CCC(C1)OC2=CC=C(C=C2)C(CC(=O)O)NC(=O)C34CC5CC(C3)CC(C5)C4 1 4.656 1 4 -9.64638344666445 4077311 CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C3(C4=CC=CC=C4N(C3=O)C)O)N 1 2.292 4 2 1.74747618889478 4077225 C1=CC=C(C=C1)C(C=NNC(=O)C2=CC=CC=C2F)C3=CC=CC=C3 1 4.31 2 1 -7.5954757353484 4077212 COC1=CC(=CC(=C1)C(=O)NCCCN2CCN(CC2)CCCNC(=O)C3=CC(=CC(=C3)OC)OC)OC 1 2.05 4 6 0 -9.62198306852949 4077096 C1COCCN1CCN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S 1 3.121 3 2 -5.49624308721413 4077094 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=C(O5)[N+](=O)[O-] 1 1.302 3 5 0 -4.86934186013554 4076937 CC1=CC(=NN1CC(=O)N2C(CC(=N2)C(F)F)(C(F)F)O)C 1 0.81 4 2 0 -10.5845239414922 4076959 CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC 1 3.66 1 7 0 -20.4150378554477 4076954 C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)Cl 1 4.475 2 2 -7.73636116427693 4076919 CCC(C)(C(=O)NC1CCCC1)NC(=O)C2=CNC(=O)C=C2 1 0.625 3 3 0 -18.158049534609 4076918 CC1(CC2=C(C(C(=C(N2N3CCOCC3)N)C#N)C4=CC=CS4)C(=O)C1)C 1 1.136 4 2 0 -23.8549065058975 4076815 COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)F 1 3.265 2 5 0 -7.47806290135556 4076591 CC(C)C1=CC=CC=C1NC(=S)NC2CCCCC2 1 5.564 2 0 -7.29073677279561 4076566 CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C=C(C=C2[N+](=O)[O-])C)C)Br 1 4.808 5 3 0 -8.17093889734967 4076253 CC(=NNC(=O)CNC1=CC=CC(=C1)C(F)(F)F)C2=CC=C(C=C2)Br 1 4.014 3 1 -4.22638841006328 4076245 CN(C1=NS(=O)(=O)C2=CC=CC=C21)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 1 0.931 4 4 0 -10.8302133976197 4076164 CC1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)N)C 1 3.447 5 3 0 -15.7216558032629 4076054 COC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br)Cl 1 4.056 4 2 -3.3023194605454 4076033 CCCCN(C)C1=CC2=CC(=C(C#N)C#N)CCC2CC1 1 3.741 3 0 -2.71043113206512 4075942 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)Cl 1 1.723 6 4 0 -8.72302649241743 4075877 COC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CC(=O)OC 1 3.487 2 5 0 -10.9159988633127 4075813 CCOC1=C(C=C(C(=C1)C(C)NC(=O)C2=CN=CC=C2)Br)OCC 1 3.261 2 3 -13.4370065721714 4075803 CNC(=O)C1=C(SC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.413 3 5 0 -26.4903017265757 4075776 CC(=NNC(=O)NC1CCCCC1)C2=CC=CO2 1 2.249 3 2 -6.58849770911175 4075739 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCCC2=CC=CC=C2 1 2.44 2 3 -15.5861814547024 4075736 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC(C)C2=CC=CC=C2 1 2.496 2 3 -17.7152777880892 4075735 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC(=CC=C2)OC 1 2.102 2 4 -16.2745152062765 4075734 CC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)OC 1 6.475 2 3 -17.2155237846059 4075732 CCC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)OC 1 6.931 2 3 -16.7711326821375 4075730 CC1=CC(=C(C=C1)C)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)OC 1 6.961 2 3 -16.4294726923087 4075728 CC1=CC(=CC=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)OC 1 6.475 2 3 -13.633057769277 4075726 CC1=C(C=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)OC)Cl 1 7.139 2 3 -15.0888474686974 4075601 C1CCN(C1)C2=C(C=C3C(=C2)C(=O)N(C3=O)C4=CC=CC=C4)[N+](=O)[O-] 1 2.956 3 4 0 -6.09658504437695 4075582 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCOC2=CC=CC=C2 1 1.522 2 6 0 -16.9348696949809 4075467 C1CN(CC2=CC=CC=C21)C(=O)C(=O)C3=CN(C4=CC=CC=C43)CC(=O)N5CCOCC5 1 2.24 3 4 0 -19.7958901715506 4075419 CC1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 8.1e-002 3 5 0 -19.8558239119519 4075418 C1CCC(C1)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CS3 1 2.881 2 3 -16.2257671469024 4075245 CC(C)C(=O)NC1=NN=C(O1)C2=CC(=CC=C2)OC 1 1.904 3 3 0 -3.49135223574274 4075206 CC1=CC(=CC=C1)N2C(=C3CSCC3=N2)NC(=O)C 1 2.304 3 1 0.389383268922555 4075067 C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CCCC(=O)NC3=CC=C(C=C3)F 1 2.181 3 3 -11.9151425268442 4075005 CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)OC 1 4.217 3 2 -1.30735133707326 4074996 C1=COC(=C1)C2=CC(=NC(=N2)N3C=C(N=C3)[N+](=O)[O-])C(F)(F)F 1 3.388 5 3 0 2.63544447925596 4074994 COC(=O)C1=NN(C=C1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 3.795 4 3 0 1.37648473324484 4074993 C1=COC(=C1)C2=CC(=NC(=N2)N3C=C(C=N3)[N+](=O)[O-])C(F)(F)F 1 3.406 5 3 0 4.36060643633019 4074979 COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NC(=O)C3CCCC3 1 4.907 3 4 0 -8.71773862511025 4074974 C1CC(=O)NC1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 1.436 2 4 0 -12.2017933249615 4074973 C1C(CN(C1C(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl)O 1 2.424 2 4 -12.2129002136696 4074972 COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=CN=CC=C3)C4=CC=CC=C4 1 2.956 3 4 0 -12.5638284177772 4074953 CCC(=O)N1CCN=C1SCC2=CC=C(C=C2)F 1 3.1 2 1 -11.4845718605236 4074952 C1=CC(=CC(=C1)F)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 1.509 4 4 0 -19.3648072808949 4074864 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=C(O3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)Br 1 3.655 4 5 0 -10.2606512169903 4074688 C1=CC=C(C=C1)NC(=O)NC2=CC=NC=C2 1 1.372 3 1 0 -2.87677055409157 4074670 CCOC(=O)C(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] 1 2.151 2 6 0 -10.3100352240564 4074669 CC12CC(C3=CC=CC=C3O1)N(C(=S)N2C4=CC=CC=C4)C(=O)C5=CC=CO5 1 5.348 2 3 -5.46015120615458 4074664 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6 1 5.241 4 1 9.34060516034799 4074629 CC1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)NNC4=NC5=CC=CC=C5S4 1 4.473 3 2 2.88850762733007 4074546 C1CCC2=NC3=C(C=C(C=C3)NC(=S)N4CCC(CC4)N5CCCCC5)C(=O)N2CC1 1 4.449 5 1 -16.5998743735512 4074542 CCCN(CCC)CCNC(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O 1 4.769 5 1 -17.9251799974595 4074540 CCN(CC)C(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O 1 4.118 4 1 -17.159947972804 4074539 CCCCN(C)C(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O 1 4.749 4 1 -15.7868898271376 4074538 CCCCN(CC)C(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O 1 5.098 4 1 -18.8553570590034 4074534 CCN(CC)CCNC(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O 1 3.721 5 1 -17.4486863440647 4074532 COCCCNC(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O 1 2.816 4 2 -20.942429651857 4074531 CCCCNC(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O 1 4.214 4 1 -19.5933911726336 4074527 CC1CCCN(C1)C(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O 1 4.657 4 1 -18.9722998532463 4074377 CCC(C)NC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCC4(CC3)OCCO4)C 1 2.551 2 6 0 -18.4194536461885 4074372 C=CCNC(=O)NC1=NC=C(C=C1)Cl 1 1.616 3 1 0 -7.10521053572972 4074362 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(O3)CNC(=O)C4=CC=CO4 1 2.04 4 4 0 -24.167418250553 4074337 CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-] 1 3.421 6 3 0 -5.95508890905767 4074317 CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C 1 4.272 1 5 -6.66328304066849 4074127 CN(C)CCCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC(=CC=C3)OC)O 1 2.327 4 4 0 -5.96025504992429 4074125 CCOC1=CC=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCCCN(C)C)O)C=C(C=C3)Br 1 2.676 4 4 0 -7.59543527432554 4074109 CCC(C)NC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC(=CC=C3)OC)O 1 3.376 3 4 0 -9.10489567805752 4074106 CCCCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC(=CC=C3)OC)O 1 3.455 3 4 0 -8.10851534390369 4073989 CC1=NNC(=O)C1C(C2=CC(=CC=C2)O)C(C#N)C#N 1 0.584 4 2 0 -7.66680284814337 4073986 CC1=NN(C2=C1C(=O)CC(C2Br)(C)C)C3=CC=CC=N3 1 3.273 3 1 -4.17296307309728 4073984 C1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 2.337 5 5 0 -35.180526757221 4073109 CC1=C(C=CC(=C1)Cl)OCC(=O)NN2C(=O)C3C4CC(C3C2=O)C=C4 1 1.93 2 4 0 0.382160149469267 4073064 COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=NC4=CC=C(C=C4)C(=O)O)OC 1 4.062 2 7 0 -8.97056482140001 4073001 COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=C(C=C3)OC)OC)S2)CC(=O)OC 1 3.471 2 6 0 -14.2094356968671 4072950 CC1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.637 1 1 -11.020454629942 4072948 CCS(=O)(=O)NCC(C1=CN=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)OC 1 1.726 4 3 0 -13.0361453845152 4072854 CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=C(C=C(C=C2)OC)OC 1 0.95 2 5 0 -21.9781345316159 4072852 CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 0.751 2 5 0 -22.501732912321 4072851 CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=C(C=CC(=C2)OC)OC 1 0.95 2 5 0 -21.9920724192413 4072802 CC1=NN(C(=C1C(CC(=O)C(F)(F)F)(C(F)(F)F)O)N)C2=CC=CC=C2 1 2.923 3 2 -5.4033551953737 4072714 CN1C(=O)C(=C(NC1=O)NC2CCCCC2)[N+](=O)[O-] 1 1.006 4 4 0 -9.42371490515745 4072672 CC1CCCC(C1C)NC(=O)C2=CC=CS2 1 3.42 1 1 -8.82763392459995 4072524 CC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)[N+](=O)[O-])OC)OC 1 2.76 2 6 0 -15.4688443683197 4072379 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC(=O)C4=C(C=C(C=C4)O)O 1 3.676 3 3 7.61729480233495 4072352 CCC1CCCCN1C(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C 1 4.558 2 1 -9.72498402339726 4072351 CS(=O)(=O)NNP(=O)(NC(=O)C1=CC=CC=C1)NNS(=O)(=O)C 1 -2.366 5 6 0 -9.08776982911665 4072184 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCCC2 1 1.198 3 3 0 -10.6078400461229 4072182 C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)NC2=S 1 3.956 3 3 -16.5836125499248 4072181 COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4 1 3.276 3 4 0 -20.9328352807217 4072176 CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4)C 1 4.258 3 3 -15.9077059141526 4072175 C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)F)NC2=S 1 3.491 3 3 -14.8080761698256 4072174 CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4 1 3.771 3 3 -13.7721455461834 4072173 C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4 1 2.067 3 4 0 -18.2901415566714 4072144 CC1CCCC(C1C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 4.45 3 1 -7.59070184325863 4072107 CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCCN(C)C)C(=O)NC5=CC(=CC(=C5)C)C 1 2.906 4 4 0 -1.88570259582371 4072071 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCN3C=NC(=N3)[N+](=O)[O-] 1 1.84 6 4 0 -21.1439053516366 4072050 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)O)C4=C(OC5=CC=CC=C5C4=O)O 1 4.153 2 5 0 -9.13874048841327 4072049 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=C(OC5=CC=CC=C5C4=O)O 1 4.6 2 4 -9.38098463962907 4072046 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=O 1 3.51 4 3 0 -20.9771950562482 4072045 CC(C)C1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C=N3)C 1 4.137 3 0 0.573786141582899 4072018 CC(=NNC(=S)NCC=C)C1=CN=CC=C1 1 1.678 4 0 0 -12.5763203361569 4072012 CC(=O)N1CCC(=NNC2=NC3=CC=CC=C3S2)CC1 1 1.191 4 1 0 -2.61187504937344 4072010 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=C(C=C4)Cl 1 3.163 3 4 0 -17.5738104823871 4071864 CCC(=O)NC1=NC2=C(S1)C3=C(C=C2)SC(=N3)C 1 2.587 3 1 -4.75878283055086 4071833 CC(C1CC2CCC1C2)NC(=O)COC3=CC=CC=C3F 1 3.321 1 2 -6.50730862314702 4071808 C1CN(CCN1C2=NC=CC=N2)C(=O)CCCCN3C(=O)C4=CC=CC=C4NC3=O 1 0.813 6 3 0 -10.2465034651088 4071807 C1COCCN1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Br 1 3.094 3 2 -8.29334521268956 4071797 CC1CCN(CC1)C(=O)C2=CN(C(=O)C3=C2C4=CC=CC=C4N3C)CC(C)C 1 3.458 3 2 -11.0982497968328 4071773 CCC(CC)C=NNC(=O)C(=O)NN=CC(CC)CC 1 2.558 4 2 -5.95547418217861 4071669 CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)N(C)C3=CC=CC=C3 1 3.328 2 3 -12.3755251381469 4071630 CNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)F)OC)OC 1 4.685 2 3 -15.3986776015012 4071623 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)F 1 3.078 4 3 0 -19.4861510727102 4071565 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 -6.4e-002 4 5 0 -20.3693053556293 4071560 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=C(NC(=O)NC3=O)C)C 1 0.925 4 4 0 -15.09062373612 4071548 COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3CC3 1 3.326 1 3 -4.68289513521565 4071431 CC1=CC=C(C=C1)C=NN(C)S(=O)(=O)C2=CC=C(C=C2)C 1 3.564 2 2 -3.64822556565627 4071429 CC1=CC=C(C=C1)S(=O)(=O)N(C)N=CC2=CC=C(C=C2)SC 1 3.62 2 2 -0.616789682968907 4071419 CC1=CC=C(C=C1)S(=O)(=O)N(C)N=CC2=CC=C(C=C2)N(C)C 1 3.24 3 2 -5.58421183339452 4071418 CC1=CC=C(C=C1)S(=O)(=O)N(C)N=CC2=CC=C(C=C2)C(=O)O 1 2.708 2 4 -5.69446058178506 4071399 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)CNC(=O)C5=CC=CC6=CC=CC=C65 1 5.326 5 2 0 -22.3306464560076 4071396 CN1C=NN=C1SCC(=O)NC2=NN=C(S2)C3=CC=CC=C3OC 1 1.502 6 2 0 -22.4715535340901 4071393 CC1=CC(=O)OC2=C1C=CC(=C2)OCC3C4=CC(=C(C=C4CCN3C(=S)NC5=CC(=CC=C5)OC)OC)OC 1 6.834 2 6 0 -20.8346816774162 4071290 CCCCNC(=S)NNC(=O)C1=CC=CO1 1 2.143 3 2 -12.3943323204453 4071285 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 1.475 5 6 0 -15.1154661468446 4071152 CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=C(C=C4)C)C(=O)CCC3 1 3.457 3 2 -24.4321465834314 4071118 CC1=CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)S(=O)(=O)NC5=NC(=CC(=N5)C)C 1 1.928 4 4 0 -6.84646683628866 4071115 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=C(C=NN2C)Br 1 1.465 4 2 0 -2.4787013261732 4071098 CC(C1=CC=CC=C1)SC2=CC=CC=[N+]2[O-] 1 2.877 1 1 -2.80549090563452 4071069 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-] 1 1.237 3 7 0 -13.575761576571 4071052 CC(C=C)C(C(=O)C1=CC=CC=C1)N(C)C 1 2.968 1 1 -3.61295925728051 4071049 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N(C2=CC=CC=N2)C3=CC=CC=N3 1 2.291 4 3 0 -10.7168431440549 4071028 C1CN(CCC12OCCO2)C(=O)C3=CNC4=C(C3=O)C=C(C=C4)S(=O)(=O)N5CCOCC5 1 -0.544 3 7 0 -26.2785799039388 4071018 CC(C(C(=O)O)NC1=C(C=C(C=N1)[N+](=O)[O-])[N+](=O)[O-])O 1 0.271 4 7 0 -10.1682974080453 4071013 COCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)SCC3=C(C(=CC=C3)OC)OC 1 1.866 2 7 0 -31.9474468974073 4070961 CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=C(N(N=C4C)CC5=C(C(=C(C(=C5F)F)F)F)F)C 1 6.622 5 1 -3.39935598231502 4070939 CN(C)C(C(C=C)C1=CC=CC=C1)C(=O)C2=CC=CC=C2 1 4 1 1 -4.4938852114393 4070884 CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C)[N+](=O)[O-] 1 1.693 3 5 0 -13.6129301539421 4070878 C1CCNC(=O)C(C1)NC(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)NC(=O)C6=CC=CC=C6Cl 1 2.64 5 4 0 -24.3483793808692 4070870 C1C(=O)C(=C(N1C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3)N)C4=CC=CC=C4 1 2.344 3 4 0 -10.8012436683152 4070869 C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C(=O)N4C=CC=CC4=N3)C=NNC5=CC=CC=C5C(=O)O 1 3.09 8 3 0 -18.2410919980681 4070774 CC1=C(C(=NN1C)C)C2C(=C(OC(=C2C(=O)OC)C)N)C#N 1 0.692 4 3 0 -12.6823516224086 4070731 CC1=C(C2=CC=CC=C2N1)C(C3=CC=NC=C3)N4CCN(CC4)C5=CC=CC=C5F 1 4.639 4 0 1.10719213983112 4070730 C1CC2=C(C(N3C(=O)C(=CC4=CC(=CC=C4)F)SC3=N2)C5=CC=CC=C5)C(=O)C1 1 4.547 2 2 -17.4813921991383 4070728 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)COC(=O)C3=CC(=O)NC4=CC=CC=C43)Cl 1 1.173 3 7 0 -27.5406038051138 4070691 C1CN(CCC12OCCO2)C(=O)C3=CC=CN4C3=NC5=C(C4=O)C=C(C=C5)Cl 1 1.441 3 4 0 -12.0374089549501 4070686 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NN=CC2=CC(=CC=C2)OC 1 3.186 4 3 0 -13.3690510755106 4070670 CC(C(C)(C)C)NC(=S)NC1=C(C=CC=C1Cl)OC(F)F 1 5.825 2 1 -6.70184498257183 4070651 CC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)OC 1 0.786 3 4 0 -5.46684891482736 4070619 CCOC1=CC=C(C=C1)NC(=O)NC(=O)N(C(C)C)S(=O)(=O)C 1 1.565 3 5 0 -0.44144054895903 4070617 CN1C=CN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC 1 1.52 4 4 0 -14.2550358193136 4070542 CC1=CC=CC=C1C2C3=CC=CC=C3OC(=C2C=NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C6=CC(=C(C=C6)OC)OC 1 5.986 3 4 0 -12.9596843103989 4070524 COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)CNC(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 3.166 3 5 0 -16.9780072985871 4070512 CC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)S(=O)(=O)NC3=CC(=CC=C3)Cl 1 4.206 2 3 -4.85245006455015 4070511 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CN=CC=C3 1 0.748 4 4 0 -20.9754176187615 4070446 CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N 1 3.738 4 2 -14.943048251937 4070416 CC1CCCCC1NC(=O)C2CCCN(C2)S(=O)(=O)N3CC(CC(C3)C)C 1 2.51 3 3 -17.7215298403105 4070413 CN1C(=O)C(=C(NC1=O)NCCC2=CC=C(C=C2)O)[N+](=O)[O-] 1 0.811 4 5 0 -5.22300692131779 4070375 CC(C)OCCCNC(=O)C1CCC(=O)N1C2CCCC2 1 1.09 2 3 0 -18.1660398589654 4070351 CC1=C(C(=NN1C)C)CN(C)C(=O)C2(CC2(Br)Br)C 1 2.076 3 1 -1.35021350335886 4070317 C1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)NC3=CC(=CC=C3)F)N)C(F)(F)F 1 3.328 5 1 -4.21650829888156 4070310 COC1=CC=C(C=C1)CNC(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(F)(F)F)N 1 3.113 5 2 0 -9.00785598889177 4070267 CC1=CC=C(C=C1)NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)CC3=CC=CC=N3 1 6.054 3 2 -11.451882368308 4070263 C1=CC=C2C(=C1)C=CC=C2C=NNC3=CC=CC(=C3)C(=O)O 1 3.987 2 2 1.29692258290073 4070237 CC1=C(C=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Cl)Cl 1 7.66 2 2 -8.24076843468076 4070235 CC1=C(C=CC(=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Cl)Cl 1 7.66 2 2 -7.76328032567312 4070233 CC(C1=CC=NC=C1)N(CCCOC)C(=O)NC2=CC=CC=C2 1 1.894 3 2 0 -3.39846776900101 4070204 CCS(=O)(=O)NCC(C1=CN=CC=C1)N2CCN(CC2)C3=CC=CC=C3 1 1.742 4 2 0 -12.9818765970381 4070201 CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)COC)C(C)(C)C 1 2.425 2 5 0 -11.8399776096645 4070136 CC(C=NNC(=S)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)C2=CC=CC=C2 1 3.592 4 2 -14.7749483361484 4070115 CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4CC4 1 2.55 4 2 -13.9548521166938 4070110 CC1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CO3 1 4.188 3 2 -10.0913275392257 4070060 COC(=O)NCC(C1=CN=CC=C1)N2CCN(CC2)C3=CC=CC=C3F 1 2.452 4 2 -12.5380962961171 4070028 C1CN(CCN1C2=CC=C(C=C2)F)C3=NC(=C(C(=C3C#N)CC#N)C#N)N 1 2.059 7 0 0 -0.911726446036879 4070027 COC1=CC(=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NNC3=NC4=CC=CC=C4S3)OC)OC 1 4.819 3 5 0 -7.42779000257578 4069898 CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C#N)SC)C3=CC=CC=C3 1 3.037 3 2 -17.7269284325964 4069841 CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6 1 3.171 8 3 0 -11.2149019846489 4069823 CC1=CN=C(S1)NC(=O)C2(CC2(Br)Br)C 1 1.928 2 1 0 -3.40917974882634 4069820 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=NNC(=O)C2=CC=C(S2)C)C 1 3.925 3 2 -11.7132154015917 4069719 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)NCCCl 1 2.082 3 4 0 -9.460975824129 4069685 C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 3.703 4 4 0 -20.9237174829414 4069677 CCCCNC(=O)CSC1=NC2=CC(=C(C=C2C(=O)N1CC3=CC=C(C=C3)OC)OC)OC 1 4.159 3 5 0 -23.7745972732962 4069639 CC1=CC(=C(C=C1)O)C(CC(=O)NC2CCCCC2)C3=CC=CC=C3 1 4.915 1 2 -7.15885093738165 4069608 CCC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC=C3 1 4.857 3 2 -28.3735705604706 4069444 CC1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O 1 4.59 4 1 -22.4529749994238 4069443 CC1CCCCN1C(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O 1 4.715 4 1 -17.6789554311848 4069440 C1CCCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O 1 4.794 4 1 -19.1567830852093 4069439 C1CCC2=NC3=C(C=C(C=C3)NC(=S)N4CCCC4)C(=O)N2CC1 1 3.882 4 1 -19.1567830852093 4069438 CN(CC1=CC=CC=C1)C(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O 1 5.004 4 1 -14.2581781684002 4069436 CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)N=C5CCCCCN5C4=O)C 1 6.023 5 1 -12.2208737768749 4069432 CCOCCCNC(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O 1 3.165 4 2 -22.4503415905867 4069431 CC(C)CCNC(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O 1 4.465 4 1 -21.1488754026832 4069430 CCCN(CCC)CCCNC(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O 1 4.831 5 1 -19.4832177728158 4069380 C1CC(=O)N(C1C(=O)NCCN2CCOCC2)CC3=CC=C(C=C3)F 1 0.645 3 3 0 -14.2972156726031 4069358 C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4Cl)[N+](=O)[O-] 1 4.284 4 5 0 -9.51905520508007 4069311 CC(=NNC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.401 3 2 -11.747649859159 4069302 C1CCC2=NC3=C(C=C(C=C3)NC(=S)N4CCCCC4)C(=O)N2CC1 1 4.338 4 1 -19.1567830852093 4069285 CC1=C(C=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4CC4)C 1 2.533 3 3 -3.62821789052235 4069244 C1=CC(=CC=C1CN2C(=O)C3=C(C=CC(=C3)F)NC2=S)F 1 4.136 2 1 -1.05827339169177 4069213 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=CC=C3C(=O)O)[N+](=O)[O-] 1 1.777 4 7 0 -18.636445894732 4069205 CC1=CC(=CC=C1)CN2C=CC=C2C=NNC(=S)NC3=CC=CC=C3SC 1 6.288 4 0 -11.5909499169643 4069021 CC1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4 1 4.36 1 3 -9.52927290008977 4068990 CC1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)C 1 2.946 4 1 -2.58897429407058 4068987 CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)OC(=O)C2=CC=C(C=C2)O 1 4.17 1 4 -2.89528258130355 4068947 CC(=NNC(=O)CC1=CSC(=N1)N)CC(=O)NC2CCCC2 1 0.494 5 2 0 -7.58525533754845 4068914 C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CC5=C(C=C4)OCO5 1 3.921 0 4 -3.07963324117097 4068910 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NN=C(S3)C4=C(C=C(C=C4)Cl)Cl 1 5.553 4 2 -10.8365529102766 4068871 CC(C1=NC2=C3C=CC=CC3=NC(=S)N2N1)OC4=CC=C(C=C4)Br 1 4.319 4 1 -2.56855783726517 4068843 CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=CC=CC=C4O3)C5=CC=CS5 1 5.316 3 2 -6.73081568203593 4068810 C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)O)Cl 1 4.537 2 4 -6.28134877817585 4068809 CC1=C(N2C=CC=CC2=C1)C(=O)C3=CC(=C(C=C3)NN=CC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-] 1 4.987 4 5 0 -9.25196869817912 4068807 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC 1 4.015 4 5 0 -19.7546619052072 4068792 CS(=O)(=O)N(C1CCCCC1)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.931 3 4 0 -3.6571181674515 4068790 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C(CCSC)NC(=O)N 1 0.849 4 3 0 -18.3027978181862 4068747 CC(C)OCCCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC(=CC=C3)OC)O 1 2.784 3 5 0 -10.6447187226808 4068739 CCOCCCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC(=C(C=C3)C)C)O 1 3.395 3 4 0 -11.1241751979395 4068605 CCC1=CC=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCCCOCC)O)C=C(C=C3)Br 1 3.365 3 4 0 -11.4425954579778 4068478 COC1=CC=CC(=C1)N2C(=NN=C2SCC3=CN=CC=C3)CC4=CC(=O)NC(=O)N4 1 1.824 6 3 0 -19.9025588908375 4068464 COC1=CC=CC2=C1OC(=NC3=CC=C(C=C3)C(=O)O)C(=C2)C(=O)NC4=CC=C(C=C4)F 1 4.3 2 5 0 -3.4631771024825 4068459 COC1=CC2=C(C=C1)C=C(C(=NC3=CC=C(C=C3)C(=O)O)O2)C(=O)NCC4=CC=CC=C4 1 4.102 2 5 0 -8.44117280662422 4068403 C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] 1 3.395 4 3 0 1.63038923001983 4068399 C1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.487 3 3 -3.14075260584622 4068377 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3=CC=CC=C3)OCC 1 3.018 2 4 -6.95780756213712 4068308 CCC1=CC=CC(=C1NC(=S)N2CC3CC(C2)C4=CC=CC(=O)N4C3)C 1 4.355 3 1 -12.5182825946655 4068302 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C 1 3.77 6 4 0 -23.6605787207059 4068255 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2CC(=O)O)C(=O)O 1 3.743 1 4 1.58005797194072 4068244 CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C 1 3.313 1 3 -5.49121061495579 4068204 C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-] 1 3.819 2 5 0 -13.6351770073042 4068157 CC1=C(C2=CC=CC=C2N1)CCN(CC3=CC=CO3)C(=S)NCCOC 1 4.171 3 2 -12.0859169040377 4068080 CCC1=NN=C(S1)NC(=O)C(CC)SCC(=O)OCC 1 1.897 3 3 0 -20.0351744416224 4068029 C1C(=O)C(=C(N1CC2=CC=C(C=C2)Cl)N)C3=NC(=CS3)C4=CC=C(C=C4)F 1 4.258 3 1 3.28991607820169 4067993 CC1=C(C=C(C=C1)C(C(Cl)(Cl)Cl)NC(=O)NC2=CC=CC=N2)F 1 4.236 3 1 -5.14246519478931 4067950 CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC=CC=C2 1 2.244 2 3 -9.97121516512337 4067868 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NN=C2CCN(CC2)C)[N+](=O)[O-] 1 1.652 5 4 0 -14.507683342818 4067863 CN(C)CC1CCCCC1OC(=O)C2=CC=C(C=C2)Cl 1 3.985 1 2 -0.898984829144337 4067853 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C 1 3.577 1 2 -12.9625900181371 4067720 C1=CC=[N+](C=C1)NC(=NC2=CC=C(C=C2)Cl)[S-] 1 4.204 3 0 3.61935976921352 4067705 CC(C)C(=O)NC1=C(C(=NC(=N1)C2=CC=CC=C2)SC)C(=O)C 1 3.28 3 2 -7.21001679967517 4067697 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3 1 2.834 4 3 0 -24.3940770424575 4067501 C1CCN(C(C1)CO)C(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3 1 1.784 2 5 0 -16.3368877358072 4067349 CCOC(=O)C1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 2.331 3 5 0 -20.3448273387817 4067319 CCCC(C1=CC=C(C=C1)OC)(C(CN2CCOCC2)C3=CC=CC=C3)O 1 3.792 1 3 -4.52357828389614 4067300 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCCO 1 2.843 6 3 0 -16.0723062158188 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CCC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC(=CC=C3)Cl 1 2.134 3 3 -1.13834408066076 4066521 CC1=C(SC(=N1)NC(=O)C2COC3=CC=CC=C3O2)C(=O)C 1 1.698 2 4 0 -6.67772120642438 4066497 CC(=NNC(=S)NC1=CC=C(C=C1)Cl)CC2=CC=C(C=C2)OC 1 4.739 3 1 -5.09906612809756 4066452 COC1=CC=C(C=C1)CCCC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3F 1 3.985 3 3 -18.2319544646963 4066411 CC1C(=O)N(C(=O)CS1)CC(=O)NC2=CC3=C(C=C2)OCO3 1 0.419 2 5 0 -15.8473670725081 4066390 C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl 1 3.685 4 3 0 -12.9510991443314 4066383 C1C=CC2C1C(=NNC(=O)C3=CC=CO3)C2 1 1.245 2 2 0 -4.1763812991426 4066233 CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)N)NC(=O)COC3=C(C=C(C=C3)Cl)Cl)C 1 3.636 3 3 -15.7530214718277 4066205 COC1=CC(=C(C=C1)NC(=O)COC(=O)CC2CC3CCC2C3)[N+](=O)[O-] 1 2.583 2 6 0 -5.1140546132617 4066105 CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3CC=CCC3C(=O)O 1 3.463 1 5 -6.53538049941389 4066080 C1CCN(C1)C2=NC(=C(C(=C2F)OC3=CC=CC=C3OC4=C(C(=NC(=C4F)F)N5CCCC5)F)F)F 1 5.729 4 2 3.51067383960013 4066077 CC1=C(SC(=C1C(C2=CC(=C(C=C2)OC)OC)NC3=CC=CC=N3)NC(=O)C4=CC=CO4)C 1 4.788 3 4 0 -10.4011420339126 4066056 C1CN(CCN1CCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)CCCNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.233 6 6 0 -8.34640125410504 4066042 C1CC2=C(C(N3C(=O)CCSC3=N2)C4=CC=C(C=C4)Cl)C(=O)C1 1 3.357 2 2 -15.8426316900068 4065991 CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)F)C)CNC(=O)COC3=CC=C(C=C3)C(C)C 1 4.174 5 3 0 -21.9964447395671 4065844 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=C3CC(=O)CC(C3)(C)C 1 2.333 3 2 -10.1076126704659 4065750 C1CC1NC(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4 1 4.089 3 1 -17.5773782069 4065714 CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C)C3=CC4=CC=CC=C4C=C3 1 3.809 5 1 -17.2224359756138 4065712 CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C)C3=CC=CS3 1 2.854 5 1 -23.6612006358717 4065710 CC1=CC(=C(C=C1NC(=O)COC(=O)C)OC)[N+](=O)[O-] 1 1.021 2 6 0 -11.5921090442949 4065613 CCCCC(=O)OC1=C(C(=NN1C(C)(C)C)C)S(=O)(=O)C2=CC=CC=C2 1 4.267 2 4 -14.1362121550977 4065564 C1CN(C2=CC=CC=C21)C(=O)CN3CCN(CC3)C4=CC=CC=N4 1 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C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.644 2 6 0 -7.90529501818163 4060083 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC3=CC=CC=C3O2 1 4.048 2 6 0 -19.5599769375918 4060075 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CSC4=NC5=CC=CC=C5S4 1 5.624 3 2 -8.56338326461855 4059946 CN(C1CCCCC1)C(=O)C2=CC3=C(O2)N=C4C=C(C=CC4=C3)OC 1 4.066 2 3 -2.99849429896454e-003 4059877 CC1=C(C=C(C=C1)NN=C(C)C2=CC=NC=C2)Cl 1 3.429 3 0 -0.526396251780667 4059870 COC1=CC(=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)OC 1 0.515 4 7 0 -28.1424478402929 4059847 CC1=C(C=CC=C1Cl)NC(=S)N(CCCN2CCOCC2)CC3=CC=CO3 1 4.852 3 2 -8.0629104366244 4059827 CC1=C(C=CC=C1Cl)NC(=S)N(CCCN2CCOCC2)CC3=CC=CS3 1 5.411 3 1 -6.29012552271182 4059652 CC(C1=CC=CO1)N(C2=CC=CC=N2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 2.575 3 4 0 -14.9944359459149 4059651 CCC(C)C1=CC=CC=C1N=CC2=CC3=C(C=C2)OCO3 1 4.845 1 2 2.39248629170513 4059456 CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5 1 2.117 8 2 0 -4.21800530630221 4059442 CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)N)[N+](=O)[O-] 1 1.504 5 4 0 -16.5388707013786 4059441 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CN=C(C=N3)C 1 0.689 5 4 0 -22.8843875881672 4059372 CCOCCCNC(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)CC3=CC=CC=C3 1 2.734 2 3 -23.2194572816517 4059156 CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC=CC=C3C)[N+](=O)[O-] 1 3.903 2 5 0 -13.5351726051019 4059150 CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC(=CC=C3)F)[N+](=O)[O-] 1 3.622 2 5 0 -13.4408032175924 4059146 C1COCCN1C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC=CC=C3Cl)[N+](=O)[O-] 1 2.6 2 6 0 -11.2992251794006 4059144 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)CC4=CC=CC=C4Cl)[N+](=O)[O-] 1 3.93 4 5 0 -6.74106208706498 4059118 CCC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCOCC4 1 1.271 4 5 0 -25.8928054646462 4059032 CCC(=O)N1C2C3N(C4C(N3C(=O)CC)N(C(C1N4C(=O)CC)N2C(=O)CC)C(=O)CC)C(=O)CC 1 1.045 6 6 0 -6.43105908662982 4058989 COC1=CC=CC(=C1)CNC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 1 4.232 4 2 -12.5199495669818 4058988 COC1=CC=CC=C1CNC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 1 4.232 4 2 -14.9239597835365 4058963 C1CCN(C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC=CC=C3F)[N+](=O)[O-] 1 2.914 2 5 0 -10.4306001051168 4058958 COCCNC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)F)F 1 4.884 3 3 -28.4287856864395 4058897 CCOC1=CC=C(C=C1)NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 1 4.574 4 2 -9.30495372521003 4058885 CC1=CC(=CC=C1)CCNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)Br 1 3.56 2 2 -9.95560274192228 4058881 COC(CNC(=O)C1=CC2=C(C=C1)N(C=N2)C3CCCCCC3)OC 1 3.011 3 3 -16.3525851111678 4058858 C1=CC=C(C(=C1)C2NC(=O)C3=CC=CC=C3O2)OC(F)F 1 3.428 1 3 -3.21183317205712 4058851 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=NNC(=N3)N 1 2.106 5 1 -10.727136137779 4058839 CCC1CCC(CC1)C(=O)NC(C(C)C)C(=O)NC2=CC3=C(C=C2)OCCO3 1 3.957 2 4 -25.424057077717 4058834 CC(=NNC1=CC(=C(C=C1)Cl)C(=O)O)C2=CC=C(C=C2)N3CCOCC3 1 3.573 3 3 -5.06086855185972 4058833 CCCN1CCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CC1 1 1.415 5 4 0 -10.1707576396466 4058832 CCCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=CC=CC=C3S2)Cl 1 3.259 5 3 0 -0.496969321915199 4058809 C1=CC=C(C(=C1)CSC2=NC3=C(N2)C=NC=C3)Cl 1 3.526 3 0 -4.97821770041025 4058808 C1=CC(=CC(=C1)Cl)CSC2=NC3=C(N2)C=NC=C3 1 3.526 3 0 -1.57101640796093 4058736 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(O3)CNC(=O)C4=C(C=CC=C4Cl)F 1 3.515 4 3 0 -25.079870722731 4058680 CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)NC2=CC=CC=N2 1 3.104 3 2 -18.3621826721828 4058679 CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)NCC2=CC=CC=N2 1 2.786 3 2 -24.0456478939325 4058634 C1=CC=C(C=C1)N2C=CC=C(C2=S)C(CC(=O)C3=CC=CC=C3O)O 1 3.624 1 3 -1.77419839076317 4058629 COC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-] 1 1.644 4 7 0 -13.9908254040304 4058485 CC(C)NC(=S)NN=C1CCCCCCCCCCC1 1 5.42 3 0 -14.5937779263562 4058411 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C 1 4.674 2 3 -9.65401458846129 4058397 CCN1C=C(C(=N1)C(=O)NC2=C(N(N=C2C)CC3=C(C(=C(C(=C3F)F)F)F)F)C)Cl 1 4.395 5 1 -7.88529101624091 4058359 CCNC(=S)N(CCC1=C(NC2=C1C=C(C=C2)Cl)C)CC3=CC=CO3 1 5.315 3 1 -6.0151295032173 4058355 CSC1=NCCN1C(=O)CC2=CC=CS2 1 2.296 2 1 -9.75226112579553 4058354 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)C3=CC=CC=C3 1 2.479 3 6 0 -20.7300514063426 4058330 CC(C(=O)C1=C(C=CC(=C1)Br)O)SC(=S)N2CCCC2 1 4.912 1 2 -1.21171746458868 4058278 CC(=NNC(=O)CCCCCC(=O)NN=C(C)CC1=CC=CC=C1)CC2=CC=CC=C2 1 3.468 4 2 -10.420160592745 4058186 CCSC1=NN=C(S1)NC(=O)CSC2=NC3=C(CCCC3)C=C2C#N 1 3.702 5 1 -27.0137273400325 4058163 CC1=CC(=O)N=C(N1)SCC2=CC=CC3=C2N=CC=C3 1 2.737 3 1 -15.3899286770036 4058161 CN(C)C(=NC1=CC=CC=C1)P(=S)(N(C)C)N(C)C 1 1.707 4 0 0 0.73045131052583 4058147 C1=CC=C(C(=C1)C(=O)NC2=NN=C(O2)C3=CN=CC=C3)Cl 1 1.969 4 2 0 -5.08557526285427 4057982 CCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)NCC3=CC=CC=C3 1 3.992 4 1 -1.4871451284034 4057883 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl 1 2.744 2 5 0 -13.7979098879243 4057843 CC(C)C(C(=O)NC1=NC(=CS1)C(C)(C)C)NS(=O)(=O)C2=CC=CS2 1 3.317 3 3 -16.6376451625385 4057832 COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=C(C=C5)F)C6=CC=CS6 1 4.148 6 4 0 -12.4737297079603 4057818 CN(C)CCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC=C(C=C3)Cl)O 1 2.945 4 3 0 -2.10861047450211 4057816 CC1=C(C=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCCN(C)C)O)C=C(C=C3)Br)C 1 3.253 4 3 0 -3.63332773762254 4057812 CCC1=CC=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCCN(C)C)O)C=C(C=C3)Br 1 3.223 4 3 0 -4.17004730086802 4057810 CN(C)CCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC(=CC=C3)OC)O 1 2.265 4 4 0 -3.47461830153984 4057808 CCOC1=CC=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCCN(C)C)O)C=C(C=C3)Br 1 2.613 4 4 0 -5.10979852594109 4057786 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)O 1 3.07 2 6 0 -15.8496318255392 4057785 C1COC(=O)C1OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.542 1 4 -7.24807784600941 4057783 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.236 3 5 0 -16.1892355417614 4057772 CC1=CC(=C(C=C1)NC(=O)NC2=CC=CC=C2C#N)Cl 1 3.552 3 1 -3.62672504799757 4057768 COC1=C(C=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)Cl)OCC(=O)O 1 5.008 2 5 0 -17.2862185470753 4057718 CC1=CC=C(C=C1)CNC(=O)C2CC(=O)N(C2)CCC(C)C 1 2.383 2 2 -17.4457521143243 4057715 CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)NC 1 1.123 2 2 0 -10.8050450877211 4057687 CC1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC4=CC(=O)N5C=CC=CC5=N4 1 2.737 4 3 0 -16.3467157906444 4057628 CC1=CC(=CC=C1)NN=C2C3=CC=CC=C3C4=CC=CC=C42 1 5.268 2 0 -1.20397450497766 4057612 C1=CSC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CN=C(C=C3)Cl 1 5.788 3 0 -7.43541254768074 4057576 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCC2=CC=CC=C2 1 1.962 2 3 0 -24.6806274822902 4057541 CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC4=C(C=C3)OCO4 1 3.976 3 4 0 -25.350345688167 4057482 C1C2C3C4C5C(C1C3C5=NO)C2C4Br 1 1.209 1 1 0 0.381494778628085 4057405 COC1=CC=CC(=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Cl 1 6.493 2 3 -7.91275610152748 4057278 C1CC(OC1)CNC(=O)CSC2=NN=C(O2)CNC(=O)COC3=CC=C(C=C3)Cl 1 1.19 4 5 0 -26.7508241763256 4057256 CC1=NON=C1OCCNC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 1 1.977 5 4 0 -9.46165069498966 4057151 CC1=C(C(=NO1)C2=CC(=C(C(=C2)Cl)OC)Cl)C(=O)NCC3=CC=CC=C3 1 4.48 2 3 -13.8889921061893 4057150 C1C2=C(CS1)SC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.723 1 3 -10.1496028265398 4057145 CCC(=O)N1C(CSC1C2=CC=C(C=C2)OC)C(=O)NCC3=CC=C(C=C3)OC 1 3.208 2 4 -15.8624379473803 4057143 CCC(=O)N1C(CSC1C2=CC=C(C=C2)OC)C(=O)N3CCCC3 1 2.307 2 3 -13.8473904915191 4057142 CC(=O)N1C(CSC1C2=CC=C(C=C2)OC)C(=O)NCC3=CC=C(C=C3)F 1 2.763 2 3 -12.3977911936046 4057101 COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3)O)OC 1 2.869 2 8 0 -17.3368242562032 4057098 CC(=NNC1=CC(=CC=C1)[N+](=O)[O-])C2=CC3=CC=CC=C3O2 1 3.918 3 3 3.02643192819113 4057069 CC(C)NC(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2 1 3.876 1 1 -11.5884514122645 4057021 CC1=C(CC(C(C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C 1 2.604 2 5 0 -5.11030478908126 4057010 CCSC1=NC(=S)C=C(N1)C 1 2.215 2 0 -9.76394803260155 4057009 CC(=O)N1C(CSC1C2=CC=C(C=C2)OC)C(=O)NCC3=CC=C(C=C3)OC 1 2.541 2 4 -13.9359871612874 4057008 CC1CCC(CC1)NC(=O)C2C3=C(N(C(=C3C(=O)N2CC4=CC=C(C=C4)OC)C)C)C 1 3.46 3 3 -11.6973199710464 4056941 C1COCCN1CCCNC(=S)NCCCN2CCOCC2 1 0.435 4 2 0 -9.31996730698883 4056876 C1=COC(=C1)CNC(=O)COC2=CC=C(C=C2)C=NNC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-] 1 2.786 4 6 0 -20.8905603775223 4056874 C1CC(=NNC(=O)C(=O)N)CCC1C2=CC=CC=C2 1 1.176 3 2 0 -3.73262872173406 4056807 C1=CC=NC(=C1)C2=NN=C(O2)NC(=O)C3=CC(=CC=C3)Cl 1 2.397 4 2 -2.81783350657038 4056802 CC1=CC=CN2C1=NC3=C(C2=O)C=C(S3)C(=O)NCCCOC(C)C 1 1.727 3 3 0 -23.1427302960763 4056773 CCC(=O)NN=C(C)CC(=O)NC1=CC=C(C=C1)F 1 1.163 3 2 0 -5.50645203841853 4056668 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C)C(C3=CC=CC=C3)NCC(=O)OC 1 4.147 2 4 -12.4580575020308 4056659 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=C3OCC(=O)O 1 3.666 2 4 -5.59408982538626 4056556 CN1C=CN=C1SCC(=O)C2=CC=C(C=C2)C#N 1 2.141 3 1 -5.7914923188225 4056505 CCC1(C(=O)N(C(=O)N1)CC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C 1 2.786 4 4 0 -10.153560248143 4056441 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.859 3 7 0 -13.0644909328912 4056438 COC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)COC4=CC=CC=C4 1 2.286 3 5 0 -6.61633143763576 4056423 CC1=C(C(=NN1C)C(=O)NC2=NC3=CC=CC=C3N2CCN4CCCCC4)Cl 1 3.822 6 1 0 -4.34918673820651 4056378 CCCN(CCC)CCNC(=O)C1(C2=CC=CC=C2NC(=O)N1C3=CC(=CC=C3)OC)O 1 3.261 4 4 0 -7.95151212992211 4056221 CC1=C(C=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC=CC=C3F)Cl 1 5.814 3 1 -5.99811431178093 4056152 CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=CC=C(O3)COC4=CC=C(C=C4)F 1 5.549 3 3 -6.23366058666354 4056100 COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.257 2 6 0 -13.5326532968824 4056093 C1CN(CC=C1C2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)F 1 3.307 2 2 1.08914309702564 4056079 CCS(=O)(=O)N1CCCC(C1)C(=O)NCCC2=CC=CC=C2 1 1.439 2 3 0 -22.1554319179095 4056014 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC3=NCCC3 1 0.757 4 3 0 -21.6247253444434 4056012 CCN1C(=NC2=C1C=CC(=C2)C(=O)N3C(CC(=N3)CCOC)(C(F)(F)F)O)C 1 2.092 4 3 0 -1.04979425958623 4055983 C1=CC=C(C=C1)S(=O)(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4F 1 3.396 3 3 -9.66491075156618 4055978 CCCCC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3O2 1 4.033 1 2 -8.97953308332425 4055959 CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCOCC4)C)C 1 3.473 2 5 0 -13.8058215968634 4055958 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NC4=C(C=C(C=C4)OC)OC 1 2.467 2 7 0 -15.4238622097316 4055939 CCS(=O)(=O)N1CCCC(C1)C(=O)NCCC2=CC=C(C=C2)C 1 1.925 2 3 0 -21.3406170131299 4055938 CC1=CC(=C(C=C1)OCC(=O)NN=CC2=CC=CC=C2)[N+](=O)[O-] 1 2.899 3 4 0 -6.89955891752398 4055896 CCCC(C)C(=O)OCC(=O)NC1=CC=C(C=C1)Br 1 3.447 1 3 -10.5888970755506 4055851 C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=CC=C(O3)[N+](=O)[O-])N4CCCC4 1 1.91 8 3 0 -1.63301696167715 4055843 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)O 1 3.136 0 3 6.12288889026314 4055813 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NC4=CC=C(C=C4)OC 1 2.484 2 6 0 -11.2186220052505 4055810 CC1=CC(=C(C=C1)OC)NC(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCOCC4)C 1 2.97 2 6 0 -13.4397171800713 4055675 COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4CCCO4)OC 1 3.054 3 7 0 -30.9546246342503 4055670 COC1=C(C=C(C=C1)Cl)C(=O)NNC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl 1 6.119 4 3 0 -7.04041299309325 4055641 CN1C=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.633 4 3 0 -16.1941971259927 4055594 C1=CC(=CN=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 2.51 4 5 0 -7.00731065512052 4055447 COC(=O)CNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.791 3 7 0 -14.1449391537263 4055406 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=CC5=C(C=C4N=C3SCC(=O)N)OCO5 1 1.839 4 7 0 -26.972082123071 4055330 C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.351 2 8 0 -11.6949489356673 4055237 COP(=O)(CC1=CC=C(O1)C#N)OC 1 0.43 1 4 0 -5.8046260009062 4055211 CC1=CC=C(C=C1)C(CC(=O)C2=CC=CO2)SCC(C(=O)O)NC(=O)C 1 2.602 1 5 -13.6478722222233 4055206 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NN=CC3=CC=C(C=C3)OCC(=O)N 1 1.75 4 5 0 -14.8839000751619 4055137 CCCCCNC(=O)C1CC=CCC1C(=O)O 1 2.025 1 3 -11.5719201170231 4055126 CC1=CC(=CC=C1)N2C(SCC2=O)C3=C(C(=CC=C3)OC)OC 1 3.692 1 3 -12.0644732859263 4055125 CC1=CC=C(C=C1)N2C(SCC2=O)C3=C(C(=CC=C3)OC)OC 1 3.692 1 3 -13.2662125449789 4055124 COC1=CC=C(C=C1)N2C(SCC2=O)C3=C(C(=CC=C3)OC)OC 1 3.19 1 4 -13.5104059052136 4055122 C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])C3=C(C=CC=C3F)F 1 3.544 2 3 -13.9837053996097 4055121 CC1=CC(=NC=C1)N2C(SCC2=O)C3=CC=C(C=C3)Cl 1 3.778 2 1 -8.27296981774385 4055119 C1C(=O)N(C(S1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)O 1 2.891 2 4 -10.7935063794706 4055097 CC(=NNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 5.144 3 3 -5.10711876033505 4055084 C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)SCC3 1 1.947 3 3 0 -25.8659708316018 4055049 C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC3=CC(=C(C=C3)Cl)C(=O)O 1 5.31 2 3 -3.04397799269173 4054953 CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=C(ON=C4C)C)CC=C 1 4.74 3 2 -37.3061911223606 4054926 C1=CC(=CC(=C1)NC(C2=CN=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O)C(F)(F)F 1 4.57 3 1 1.74526480566275 4054925 C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)O 1 2.763 2 5 0 -17.0420363139323 4054874 CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3 1 4.49 2 3 -8.0479586604925 4054804 CC1=C(NC2=C1C(=O)CC(C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC 1 3.182 1 6 0 -13.4139855372274 4054803 CC(=NNC(=O)COC1=CC=C(C=C1)OC)C2=CC=CS2 1 2.436 2 3 -9.11757885139668 4054771 CCOC(=O)C1=CC2=C(S1)C3=C(C=CC=C3OC2)C 1 4.02 0 3 -2.79518290250991 4054690 COC1=CC=C(C=C1)C2=CC(=NC(=N2)S(=O)(=O)C)C(F)(F)F 1 3.399 2 3 -0.313074126299184 4054682 CC(C)(C)C(=O)CSC1=NC(=O)C2=C(N1)N(C(=S)S2)C3=C(C=CC(=C3)Cl)OC 1 5.986 3 3 -14.7292024208279 4054672 C1C2=C(N(N=C2CS1)C3=CC=CC=C3)NC(=O)CCCCl 1 2.92 3 1 -7.27142005326253 4054650 CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 3.258 5 3 0 -23.7003396553654 4054648 COC1=CC=C(C=C1)CNC(=O)CN2C3=CC(=CN=C3N4CCCC4C2=O)Cl 1 1.66 4 3 0 -9.72771747567245 4054574 CC(C(C1=CC=CC=C1)N2CCOCC2)NC(=O)C3=CC=C(C=C3)C(F)(F)F 1 3.796 2 2 -6.09622246516246 4054573 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-] 1 2.55 4 6 0 -17.3150408988225 4054571 CC1CCCC(N1N=CC2=CC=C(C=C2)C#N)C 1 3.114 3 0 -3.22702011836296 4054537 C1=CC(=CC=C1C2=NN(C(=O)C=C2)CC(=O)O)Cl 1 1.799 2 3 0 -2.3507041990334 4054405 C1CCC(C(C1)C(=O)NC2=CC(=C(C=C2)F)F)C(=O)O 1 2.672 1 3 -2.86557883796482 4054373 COC1=CC=CC(=C1OC)C=NNC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.515 4 7 0 -29.1528639391582 4054317 CC1=CC(=CC=C1)NC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 4.496 2 3 -8.18549758521755 4054202 CC1(CC2=CC=CC=C2C(=N1)C(=NNC3=CC(=CC=C3)Cl)C(=O)N)C 1 4.035 4 1 -2.48623970256398e-002 4054042 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CC=CO3)C 1 1.667 3 6 0 -16.6120999159295 4054041 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCCC3=CCCCC3)C 1 3.229 3 5 0 -18.4734934942881 4054040 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CC=CS3)C 1 2.225 3 5 0 -17.3068650835641 4054025 CC1=CC=C(C=C1)C2=NC(=NS2)NC(=O)CSC3=NN=C(S3)C 1 3.003 5 1 -11.5927357771452 4053939 C1CCC2=C(CC1)ON=C2C(=O)NC3=CC(=CC=C3)O 1 3.094 2 3 -9.13204056959094 4053930 CC1=CC(=C(C=C1)O)NC(=O)C2=NOC3=C2CCCCC3 1 3.58 2 3 -8.42679651918745 4053859 CC(=NNC1=CC(=C(C=C1)Cl)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.617 3 4 0 -6.49987313782206 4053736 CC1=CC(=CC=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Cl 1 6.995 2 2 -5.96884973374187 4053689 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=NOC3(C2)C(C4=CC=CC=C4N3C)(C)C 1 4.081 3 3 -13.7321018978245 4053678 CC(=NNC(=O)CC1=CC(=C(C=C1)OC)OC)CC(=O)NCC2=CC=CC=C2OC 1 1.947 3 5 0 -16.5584258554958 4053664 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=CC=CO4 1 2.719 3 4 0 -11.6845337827031 4073731 CCOC(=O)C(=CNC1=CC(=NN1C2=CC=CC=C2)C)C(=O)OCC 1 2.641 3 4 0 -3.9354188668388 4073716 COC1=CC=C(C=C1)NC(=S)NN=CC2=CC=CN2CC3=C(C=C(C=C3)F)Cl 1 6.114 4 1 -5.61123736628802 4073675 CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=CC(=C(C(=C4)OC)OC)OC 1 3.455 5 5 0 -25.5973636260373 4073674 CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=CC(=C(C=C4)OC)OC 1 3.471 5 4 0 -25.9064561748148 4073618 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)N(C)C 1 6.297 4 2 -11.096588396303 4053627 CC1=CC(=CC=C1)CSC2=NN3CCCC(=O)N=C3S2 1 4.192 3 1 -9.44771824032065 4053620 CCN1C2=C(C=CC(=C2)C(=O)NCCCN(CC(C)C)CC(C)C)SC3=CC=CC=C3C1=O 1 5.25 3 2 -9.6087798134887 4053529 COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)N)C4=CC=CC=C4 1 4.418 3 1 -1.47653598667263 4053480 CCN1C2=C(C=CC(=C2)C(=O)NCCC(C)C)SC3=CC=CC=C3C1=O 1 4.246 2 2 -11.3543231098788 4053467 CC1=C(N=C(O1)C2=CC=CC=C2)CN3C(=O)CN=C(C4=CC=CC=C43)C5=CC=CC=C5 1 4.273 3 2 13.2117820805407 4053465 CCC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NC(C)C 1 3.289 1 4 -16.6021211033853 4073484 CC1=CC=C(C=C1)C(=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C 1 1.954 3 4 0 -23.5948606045548 4073432 CC1=C(C=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=CO4)C 1 2.834 3 4 0 -3.17515321870642 4073372 C1CCN(C1)C2=CC3=CC(=C(C#N)C#N)CCC3CC2 1 2.873 3 0 -1.34830432826149 4073357 CC(=NNC(=O)COC1=CC=C(C=C1)OC)C2=CC3=CC=CC=C3O2 1 3.077 2 4 -0.999117135251902 4073288 C1CCC(C1)OC(=O)N2CCN(CC2)C(=N[N+](=O)[O-])N 1 2.894 5 4 0 -7.21133533493523 4073193 COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCC(=O)O 1 2.277 1 5 -22.0316905291603 4073188 CC1=CC=C(C=C1)NC(=O)C2=C(N(C(=S)S2)C3=C(C=CC(=C3)C)F)N 1 5.071 3 1 -4.80199599014025 4053416 C1=CC(=CC=C1NC2=C(C=NC=C2)[N+](=O)[O-])F 1 2.329 3 2 0.3665294681242 4053409 CC1=C(C2=C(C=C1)SC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)C 1 3.096 3 3 -6.75177252035026 4053341 C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NCC2=CN=CC=C2 1 2.708 3 1 -8.32760485075454 4053304 CCN(CC)C1=NC=CC(=CC1C)C2=CC=CC=C2 1 2.816 2 0 0.719448226560751 4053296 CCOC1=CC=CC=C1C(=O)NN2CCOCC2 1 0.772 2 3 0 -9.74438043242896 4053292 C1CC2CC1CC2CC(=O)OCC(=O)NC3=CC=CC=C3C#N 1 2.584 2 3 -5.18977336422229 4053291 CCN(C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)C(C)C 1 2.85 3 6 0 -28.4954054030375 4073195 C1CCN(C1)C(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl 1 3.061 2 2 -0.342506141386836 4073128 COC1=CC=CC=C1N2CCN(CC2)C(CNS(=O)(=O)C)C3=CN=CC=C3 1 1.377 4 3 0 -14.1677025927658 4073136 CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CSC(=C2C)C)C(=O)O)C 1 2.26 2 4 -6.66680336875545 4053254 COC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S 1 3.01 3 3 -10.9678331425965 4053250 COC1=CC=CC(=C1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)N 1 2.195 2 4 1.51118408982254 4053202 C1COC2=C(C=C(C=C2)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4F)OC1 1 4.608 1 3 -6.72346608204642 4053249 CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)OC 1 5.39 2 9 0 -19.9905166776543 4053241 CC(C)CC1=C(N=C(NC1=O)SCC(=O)N2CCCCCC2)O 1 3.143 3 3 -16.0859286948501 4053114 CC(=O)C1=C2C3=C(C=CC=C3N(C=N2)C)C=C1 1 1.732 2 1 0 -2.11928986696172 4053104 C1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)O 1 3.242 2 5 0 -2.90864017421596 4053099 CC(C)N1CCC(CC1)N(C(C)C)C(=S)NC2=CC(=C(C=C2)OC)Cl 1 5.259 3 1 -7.19966768730977 4053088 CC(C)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.013 3 6 0 -32.6076541474697 4053028 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=C(C=C4)Br 1 2.291 5 4 0 -27.1769462159222 4052817 C1=CC=C(C(=C1)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Br)F 1 4.919 4 1 -17.9580636797452 4052808 CCCCS(=O)C1=C(NC2=CC=CC=C2C1=O)O 1 2.115 1 3 -2.20506676552787 4052753 CC1=C(C(=CC=C1)C)NC(=S)NC(C)CCC2=CC=CC=C2 1 6.223 2 0 -8.41414716675591 4052712 C1CCN2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC=C(C=C4)F 1 2.92 4 2 1.51132821481833 4052493 C1=CC=C(C=C1)C(C(=O)NC2=CC=CC(=C2)C(F)(F)F)SCCO 1 3.553 1 2 -4.14618003364192 4052467 CC1=C(C=C(C=C1)NC(=O)N(CCCOC(C)C)C2CCN(CC2)C(=O)C)C 1 2.152 3 3 -9.73525906140421 4052453 CC1(CC(=NNC(=S)NC2=CC=C(C=C2)OC)C3=C(O1)C=CC(=C3)OC)C 1 4.534 3 3 -13.1833074833601 4052288 COC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4CCCC4 1 2.456 3 4 0 -1.94362235565352 4052223 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)C(=O)C(=O)NCCCN3C=CN=C3 1 1.19 5 3 0 -17.4279566320781 4052184 CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C3CCCO3 1 4.112 1 4 -15.7519981047195 4052011 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)F)N 1 2.207 3 1 -2.53217740930245 4051992 CC1=CC=C(C=C1)CN2C(CCC2=O)C(=O)NCC3=CN=CC=C3 1 1.532 3 2 0 -14.4178555612232 4051948 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)Cl)CC4=CC=CO4)O 1 3.356 1 5 -12.7541399142926 4051902 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=C(C=C(C=C4)Cl)Cl)OC 1 4.642 5 4 0 -24.2451769192754 4051830 CC(C(=O)OCC1=C(C=C(C=C1)Cl)Cl)NC(=O)N 1 2.267 2 3 -5.24785258766693 4051803 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC2=C(C=CC=N2)[N+](=O)[O-] 1 0.743 5 5 0 -10.8206558334914 4051793 CC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC(=CC=C3)Cl 1 1.467 3 3 0 -1.16619808243173 4051780 CN(C)CCC(=O)NCC1C2=CC=CC=C2CCO1 1 1.184 2 2 0 -14.9102047057734 4051686 CN1C=C(C2=CC=CC=C21)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 3.275 2 3 -10.6284753835177 4051685 C1CC(=O)N=C2N(C1)N=C(S2)SCC(=O)NC3=NC=CS3 1 1.756 5 2 0 -16.9255399131089 4051654 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC(=C2)OC)OC)COC3=CC=C(C=C3)F 1 4.406 2 5 0 -9.86100872651972 4051649 CC1=C(N2C(C(C2=O)NC(=O)C3=NN(C=C3Cl)C)SC1)C(=O)O 1 0.874 4 4 0 -8.53937179488513 4051463 C1COCCN1CCCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.485 3 4 0 -12.2541632863076 4051438 CC(=NNC(=S)NCCC1=CC=CC=C1)C2=CC=C(C=C2)C#N 1 3.995 4 0 -12.4041961556264 4051304 CCC(=O)NC1=C2CSCC2=NN1C3=CC=CC=C3 1 2.485 3 1 -3.3326994869115 4051302 C1COCCN1C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=CC=CC=C5Cl 1 3.789 2 5 0 -6.60504124254711 4051185 CC(=O)NC1=CC=C(C=C1)C(=O)NC(CC(=O)O)C2=CC=C(C=C2)Cl 1 2.164 2 4 -12.0151985521864 4051179 CCOC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CO3)SC(=S)N2C4=CC=CC=C4OC 1 5.22 3 5 0 -21.014687435807 4051152 CC1=CC(=CC=C1)NC2=NC(=NS2)CC(=O)C 1 1.965 3 1 0 2.46862298035243 4051112 CC1(CC2=C(C(NC(=O)N2C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C1)C 1 1.861 3 4 0 -21.2706895705082 4051085 CC1=NC=C(N1CCOC(=O)NC(C(Cl)(Cl)Cl)NCC2=CN=CC=C2)[N+](=O)[O-] 1 1.871 6 4 0 -17.9313136985398 4051076 CC1CC(CN(C1)C(=O)CN2C=C(C3=CC=CC=C32)C=O)C 1 2.91 2 2 -10.590814264236 4051075 COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=C(C=CC=C3Cl)F 1 4.09 2 2 -1.09420327235339 4051072 COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)Cl 1 3.884 2 2 4.46890890421123 4051071 COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.114 3 4 0 -0.912284994126277 4051069 COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.114 3 4 0 0.376889922617507 4051043 CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2[N+](=O)[O-])NC(=O)C)[N+](=O)[O-] 1 2.334 3 7 0 -11.6283805255397 4050772 CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)C(=O)O)Cl 1 4.435 1 5 -5.4690153214862 4050705 CC1(CC1(Br)Br)C(=O)NN=CC2=CC3=C(C=C2Br)OCO3 1 3.37 2 3 -6.82089171465816 4050662 C1C(SC(=NC1=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 6.189 2 1 -1.473406063726 4050620 CN1C2=C(C=CC(=C2)NC(=O)NCCOC)SC3=CC=CC=C3C1=O 1 2.094 3 3 -9.73990802438142 4050566 C1C(SC(=NC1=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 5.73 2 1 -2.58352772884757 4050558 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(O3)C4=CC=CO4 1 1.01 4 5 0 -12.5932495970909 4050499 C1C(C(C2=CC=CC=C21)Cl)S(=O)(=O)C3=CC=CC=C3 1 3.736 0 2 -5.51057372486878 4050490 CC1CCCC(=NNC(=O)C2=NNC(=C2)C)C1 1 1.678 4 1 0 -11.2710966813429 4050346 CCCCC(CC)CNC(=O)C(=O)C1C2=CC=CC=C2NC1=O 1 2.896 2 3 -14.0893623247499 4050278 CCCNC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C 1 3.097 3 2 -8.31860042220012 4050233 CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=CC=C3F)[N+](=O)[O-] 1 4.638 2 3 -16.1252667683512 4050231 CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCN3CCOCC3 1 3.046 3 5 0 -24.9167313932215 4050208 CN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=C(C=C3)OC)OC 1 3.78 2 3 -11.7289600316823 4050170 CN(C)P(=O)(CCl)NC1=CC=CC=C1 1 0.793 2 1 0 0.616002176845113 4050164 CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3CCCCC3 1 2.286 3 2 -13.5976726004074 4050103 CCC(C)NC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C 1 3.475 3 2 -9.80470916092282 4050102 CN1C2=C(C=CC(=C2)NC(=O)N3CCOCC3)SC4=CC=CC=C4C1=O 1 2.118 3 3 -7.27118161018153 4050101 CN1CCN(CC1)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C 1 2.388 4 2 -3.22701665179692 4049967 CCC1=CC=CC(=C1NC(=S)N2CCCCC2C3=CN=CC=C3)C 1 5.855 3 0 -4.74748755216918 4049877 CC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)NC3=C(C=C(C=C3)OC)OC 1 3.622 3 3 -7.54241608140609 4049845 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2)S(=O)(=O)C3=CC=CC=C3 1 1.999 2 4 0 -14.5710719119892 4049779 COC1=CC=CC(=C1)N2C3=C(C(=O)N(C(=N3)SCC4OCCO4)C5=CC=CC=C5OC)SC2=S 1 5.716 3 5 0 -13.9619605821421 4049774 CC1CCCCN1C(=O)C2CCCCN2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.454 3 5 0 -16.2447462339896 4049766 C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=C(C=CC=C3F)F 1 3.166 2 2 -13.7456450529236 4049660 CCOC(=O)C(=O)C1=CN(C=C(C1)C#N)CC2=CC=CC=C2 1 1.928 2 3 0 -5.02744896634556 4049621 CCN(CC)CCNC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC(=C(C=C3)C)Cl)C 1 3.351 5 3 0 -21.8052908701971 4049618 CCN(CC)CCCNC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC(=C(C=C3)C)Cl)C 1 3.414 5 3 0 -23.3633286455534 4049616 CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NCCCOC)C)Cl 1 2.447 4 4 0 -25.2990341779894 4049615 CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NCCN(C)C)C)Cl 1 2.654 5 3 0 -19.3160986564022 4049612 CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NCC4=CC=CO4)C)Cl 1 3.28 4 4 0 -23.7361612328196 4049611 CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NCCOC)C)Cl 1 2.384 4 4 0 -24.6654220021358 4049589 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C4=C(C=CC=C4Cl)F 1 4.602 2 2 -18.0786659167953 4049585 CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)NCC3COC4=CC=CC=C4O3 1 4.136 2 5 0 -12.4906859118585 4049581 COCCNC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=NC=C4 1 3.323 4 3 0 -28.6392569034654 4049580 COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)SC 1 4.788 3 3 -12.3803566952207 4049488 CCCCN1C2=CC=CC=C2N=C1CNC(=O)CC3=CC=CC=C3 1 3.899 3 1 -11.9737833219354 4049443 CN1C(=C(C=N1)Br)C(=O)NC2=C(C(=CC(=C2F)F)F)F 1 3.126 3 1 -2.83742577090207 4049441 CC(CC=NNC(=O)COC1=C(C=CC(=C1)Cl)Cl)C2=CC=CC=C2 1 4.482 2 2 -5.44355427341644 4049345 CC(=O)OCC1C(C(C(O1)N2C=NC(=N2)C(=O)OC)OC(=O)C)OC(=O)C 1 -0.755 3 9 0 -22.1548444444977 4049310 C=C1C(C1C(=O)NC2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)F 1 2.514 2 2 -1.32268215584251 4049233 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)NC(C)C4=CC=CC=C4)Cl 1 3.244 4 4 0 -24.2773284770131 4049228 CCCCCCCC(=O)NN=C(C)C1=CN=CC=C1 1 2.796 3 1 -11.6700566138357 4049132 CC1=NN2C(=C(SC2=N1)C(C3=CC(=C(C=C3)OC)OC)N4CCC(CC4)C(=O)N)O 1 1.921 5 4 0 -7.24315141964214 4049103 C1=CC(=CC=C1C2=NN(C=C2C=NNC3=NC(=O)C(S3)CC(=O)O)CCC#N)F 1 2.597 6 3 0 -9.52151839130322 4049063 CC(C)N(C(C)C)N=NC1=CC=C(C=C1)[N+](=O)[O-] 1 3.56 4 2 1.28686909649949 4048999 CC1CCCC(C1C)NC(=O)COC(=O)CCC2CCCC2 1 3.882 1 3 -14.7422279249012 4048822 CC1=CC(=CC=C1)CSC2=NC(=O)C3=C(N2)CCCC3 1 4.092 2 1 -14.4146140383027 4048820 C1CCC2=C(C1)C(=O)N=C(N2)SCC3=CC(=CC=C3)F 1 3.811 2 1 -13.8020132255265 4048817 COC(=O)C1=CC2=C(N1CC3=CC=C(C=C3)Cl)C=CO2 1 4.119 1 3 -3.49487891621387 4048808 CC1=CC(=NC2=C1C(=O)N(S2)CC(=O)NC3CCCC3)C 1 2.2 3 2 -8.92565087703042 4048786 CCOC1=CC=CC=C1N(C2=NC(CS2)C)C(=O)NC3=CC=C(C=C3)Cl 1 5.167 3 2 -5.95615224694958 4048782 C1=CC=C2C(=C1)C3=C(O2)C(=O)N(C=N3)CC4=CC(=CC=C4)Cl 1 3.799 2 2 3.09913488462233 4048778 CC1=CC(=C(C=C1)C)CN2C=NC3=C(C2=O)OC4=CC=CC=C43 1 4.107 2 2 1.17882466681493 4048775 CC1=CC=CC=C1CN2C=NC3=C(C2=O)OC4=CC=CC=C43 1 3.621 2 2 -0.963761018550509 4048767 CC1CCCN(C1)C(=O)CCl 1 1.348 1 1 0 -6.64120667354104 4048669 CC1=C(C(N2C(=O)C(=C3C4=CC=CC=C4NC3=O)SC2=N1)C5=CC=CC=C5)C(=O)OC 1 3.018 3 4 0 -30.1183704461008 4048665 CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=C(C=C2)OC(F)F 1 1.993 2 4 0 2.80519702098414 4048624 CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CS3)S2)CCOC 1 2.756 3 3 -13.4935784954205 4048569 COC1=C(C=C(C=C1)Cl)NC(=O)C2=NOC3=C2CCCC3 1 3.528 2 3 -11.6002144830778 4048559 C1=CC=C2C(=C1)C3=C(O2)C(=O)N(C=N3)CC4=CC=C(C=C4)F 1 3.34 2 2 1.91078494237587 4048513 CCC1=CC=C(C=C1)NC(=S)NN=CC2=CN(C3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4)C 1 4.332 5 3 0 -19.8650640466103 4048475 C1CCN(C1)CCCNC(=O)C2=CC=C(O2)CSCC3=CC(=CC=C3)Cl 1 3.97 2 2 -8.07842850959638 4048468 C1COCCN1CCNC(=O)C2=CC=C(O2)CSCC3=CC(=CC=C3)Cl 1 3.134 2 3 -10.6387157961611 4048421 CC(C1=CC=CC=C1)NC(=O)CNC(=S)N(CC2=CC=CS2)C3CCCC3 1 4.94 3 1 -18.0464656962155 4048341 CC(=O)N1C2C3N(C4C(N3C(=O)C)N(C(C1N4C(=O)C)N2C(=O)C)C(=O)C)C(=O)C 1 -2.957 6 6 0 -4.50460830053695 4048337 CN1C=C(C=N1)C(=O)N(C)C23CC4CC(C2)CC(C4)C3 1 2.036 3 1 -3.93460673797531 4048316 CC1=C(C=C(C=C1)NC(=S)NN=C(C)C2=CC=C(C=C2)N3CCOCC3)C 1 4.888 4 1 -8.46208161221792 4048264 CC1=CC(=C(C(=C1)C)CC2=C(N3C(=C(C=N3)C(=O)NCC4=CC5=C(C=C4)OCO5)N=C2C)C)C 1 4.661 4 3 0 -18.5047042607438 4048244 CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCOC)CCOC 1 3.437 2 7 0 -17.8337255152008 4048108 C1=CC(=CC(=C1)F)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3 1 2.067 4 3 0 -20.9218239196567 4048060 CC1=C(C(=O)C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)O 1 2.923 1 4 1.89841605004838 4047977 CCOC(=O)C1=C(C(=C(S1)C2=CC=C(C=C2)C)C#N)C 1 4.648 1 2 -6.75302786658259 4047937 CC(C(=O)NN=C(C)C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC(=CC=C2)Cl 1 3.367 4 3 0 -9.47786465256291 4047855 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F 1 4.193 3 4 0 -7.39643053752826 4047797 CC1=C(C=C(C=C1)NC(=O)C(C)C2=CC=CC(=C2)C(=O)C3=CC=CC=C3)O 1 4.76 1 3 -7.16003347862489 4047713 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)COC4=CC=C(C=C4)N(C)C(=O)C(C)(C)C 1 3.776 3 3 -4.40562896342894 4047712 C1CCC(CC1)(CC(=O)NC2=CC=C(C=C2)Br)CC(=O)O 1 3.455 1 3 -4.591673645981 4047709 CC(C)C1=CC=C(C=C1)C(=O)N(C2=CC=CC=N2)C(C)C3=CC=CO3 1 4.652 2 2 -6.10810446742452 4047708 CC(C1=CC=CO1)N(C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 4.4 2 2 -3.17836279506075 4047599 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)CN2C(=O)C3CCCCC3C2=O 1 1.004 3 7 0 -17.6627822325986 4047587 CC1=CC2=CC=CC=C2N1CCNC(=O)C(C)OC3=CC=CC=C3 1 3.651 2 2 -13.5209641127152 4047579 C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)NCC3=CN=CC=C3 1 1.07 3 2 0 -17.8987923703138 4047577 C1CCC(CC1)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 2.496 2 2 -13.2077933888629 4047574 CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)NC3CCCCC3 1 2.982 2 2 -12.3929784840833 4047571 C1CCC(C1)NC(=O)C2CCC(=O)N2CCC3=CC=CC=C3 1 2.337 2 2 -10.4091876672959 4047570 CCC(C)NC(=O)C1CCC(=O)N1CCC2=CC=CC=C2 1 2.184 2 2 -14.9280227296331 4047569 C1CC(=O)N(C1C(=O)NCCC2=CC=CC=C2)CCC3=CC=CC=C3 1 2.839 2 2 -13.2679356177522 4047567 CC(C)CCNC(=O)C1CCC(=O)N1CCC2=CC=CC=C2 1 2.515 2 2 -16.3939793924029 4047558 CN(CCC#N)S(=O)(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCCC3=CC=CC=C3 1 1.381 4 4 0 -23.6843475685703 4047539 CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 0.147 4 5 0 -35.0567184007328 4047369 CCOC(=O)C1=NNC2(C1C(=O)N(C2=O)C3=CC(=CC(=C3)C)C)C4=CC=C(C=C4)Cl 1 3.704 3 4 0 -3.8483472704514 4047352 COC1=CC=CC=C1C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=CC=C3 1 2.963 3 5 0 -9.22809089816281 4047335 CCCC1=CC(=CS1)C2=NNC(=S)N2CC 1 3.381 3 0 -3.92398337898299 4047313 CN(C)C=C1C(=O)N2C(=CC(=C2S1)C(=O)OC)C(=O)C3=CC=C(C=C3)Cl 1 3.401 2 4 -6.97186844028806 4047274 CCOC(=O)N1CCC(=NNC(=O)C2=CC3=CC=CC=C3C=C2O)CC1 1 2.096 3 4 0 -4.10166715527107 4047262 COC1=CC(=CC(=C1)C(=O)NCCC2=CN=CN2)OC 1 0.802 3 3 0 -7.73788769891394 4047258 CCS(=NS(=O)(=O)C1=CC=C(C=C1)C)CC2CC2(Cl)Cl 1 3.24 1 2 -0.106221534966076 4047227 CC(=NNC(=O)C1COC2=CC=CC=C2O1)C3=CC=C(S3)Cl 1 2.849 2 3 -1.60694021873817 4047195 CC1=CC(=C(C=C1)N2C(=CC(NC2=S)(C)C)C)C 1 4.688 2 0 -3.88380753784778 4047192 CC1=CC(=CC(=C1)N2C(=CC(NC2=S)(C)C)C)C 1 4.688 2 0 -4.39398342968748 4047191 CC1=C(C=C(C=C1)N2C(=CC(NC2=S)(C)C)C)C 1 4.688 2 0 -3.89414294464209 4047189 CSC1=CC=CC=C1SC2=NC3=CC=CC=C3C(=C2)C(=O)O 1 4.845 1 2 -5.4919719507197 4047159 CCC(C1=CC=CC=C1)C(=O)NC2=CN=CC=C2 1 2.417 2 1 -9.17273199714119 4047136 C1CCC(CC1)C(=O)NC2=NN=C(O2)C3=CC4=C(CCCC4)C=C3 1 4.43 3 2 -1.28766128851931 4047086 CC(C)(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)Cl 1 4.313 2 3 -10.1175261978974 4047057 CC1=CSC2=NC=C(C(=O)N12)C(=O)NC3=CC4=C(C=C3)OCCO4 1 0.925 3 4 0 -15.4459495223689 4047051 CC1=NN(C(=C1Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)C 1 3.641 4 3 0 -7.58562378577161 4046943 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(CCC3)C=C2C#N 1 2.478 4 2 -26.5742683874793 4046990 CC1=CC=C(O1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.617 2 2 2.28224825760965 4046983 CC1=CC(=C(C=C1)OC)NC(=O)C2=CN=C3N(C2=O)C(=CS3)C 1 1.609 3 3 0 -13.5383022832819 4046982 CC1=CC(=NC(=N1)NNC2=CC(=O)CC(C2)(C)C)C 1 1.047 4 1 0 -14.1896359744296 4046921 CC1=C(C(=NC2=NC=NN12)C)CC3=CC=CC=C3Cl 1 3.444 4 0 -11.6546019296277 4046918 CC1=C(SC=C1)CN2CC(=O)N(C2=S)C3=CC(=CC(=C3)C)C 1 5.033 2 1 -5.25644006269831 4046915 CC1=CC(=CC(=C1)NC(=S)NN)C 1 2.715 3 0 -3.91411083538143 4046906 CC1=CC=C(C=C1)S(=O)(=O)NC2C(C3=CC=CC4=C3C2=CC=C4)SC5=NC(=CC(=N5)C)C 1 5.028 3 2 -5.63823685115899 4046734 CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CC5=CNC6=CC=CC=C65)C 1 5.122 5 2 0 -19.9118312215069 4046731 C1CC(OC1)CN2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=CC=C4[N+](=O)[O-] 1 2.034 2 7 0 -22.133062918029 4046680 COC(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4)OC 1 2.639 3 6 0 -16.020468396094 4046658 CC1=C(C=CC(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)NC4=CC=CC=C4)N)C#N)OC 1 4.061 4 2 -19.645314454701 4046651 CCSC1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-] 1 3.372 2 3 -7.76221213754462 4046565 CC1=CC=C(C=C1)C(=O)NN=C(CC(C)C)C2=CC=CC=C2 1 4.525 2 1 -7.58591290948545 4046389 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=CC=C(C=C3)SC(F)F 1 3.021 2 6 0 -19.6033505490899 4046384 CC1=CC=CC=C1N2C(=NN=C2SC3CCOC3=O)C4=CC=NC=C4 1 3.044 4 2 -2.67661686032003 4046381 CC(C)CN(CC(C)C)C(=O)CN1C(=O)C2(CCC3=CC=CC=C3C2)NC1=O 1 3.228 3 3 -12.5440463613009 4046369 CC1=CC(=NC2=NC(=NN12)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C 1 1.27 6 3 0 -23.2013070718429 4046326 COC1=CC=C(C=C1)CNC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.819 3 5 0 -29.2844997989096 4046325 CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=CN2)[N+](=O)[O-] 1 1.145 4 7 0 -14.4794304340617 4046296 C1CC(OC1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Cl 1 3.088 3 2 -21.2165460099492 4046231 CC1=CCC(CC1=NNC(=O)COC2=CC=CC=C2Cl)C(=C)C 1 4.095 2 2 -6.28293812989309 4046129 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 0.564 2 6 0 -23.6169485813508 4046137 CN1C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC=C4N3 1 3.15 4 1 -7.53103359474541 4046056 CC1=CC=CC=C1OCCNC(=O)C2=CC=CO2 1 2.551 1 3 -6.04593006389573 4046064 CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3CCCC3 1 2.725 4 4 0 -25.1344220078099 4046093 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CN=C(C=N2)C 1 -0.783 3 5 0 -24.1285194924639 4045999 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl 1 5.535 4 3 0 -12.4919230736288 4045893 CCC(C)(C(=O)NC1CCCCC1)N(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)CNC(=O)C4=CC=CC=C4 1 3.21 5 4 0 -28.0389270291683 4045890 C1COCCN1CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C=C(C=C4)Cl)Cl 1 2.175 9 3 0 -22.9279241153842 4045822 C1=CC=C(C(=C1)C(=O)O)NC(=O)CSC2=NN=C3N2C=CC=C3 1 1.954 4 3 0 -19.0604867277586 4045801 CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl)S(=O)(=O)N(C)C 1 2.19 3 4 0 -20.1238234201044 4045703 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.371 3 4 0 -8.6446926237349 4045324 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C)C 1 2.411 2 7 0 -16.75840249204 4045233 CCN(C1=CC=CC2=CC=CC=C21)C(=S)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl 1 5.446 3 3 -21.4437980491435 4045216 CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 2.993 3 4 0 -26.0184626429113 4045215 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)CC3=COC4=C3C=CC(=C4)OC 1 3.944 2 5 0 -23.0384151102288 4045169 C=CCNC1=NC(=C(C(=N1)NCCO)[N+](=O)[O-])N 1 -0.452 6 3 0 -4.8458804763991 4045115 COCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)N4C=CC=CC4=N2 1 1.51 4 4 0 -22.4609964518204 4045019 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)N(C)C2CCN(CC2)C 1 2.762 4 2 -11.1612806877176 4045013 CN(C)C1=C(C=C(C=C1)C=NN=C(N)N)[N+](=O)[O-] 1 0.92 6 2 0 1.96459105437929 4044944 C1CC(=O)NN=C1C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 -1.199 4 5 0 -25.1862230215353 4044817 CC(C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 4.048 3 4 0 -16.6243132426066 4044809 C1=CC=C(C=C1)C(CC(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 4.049 2 5 0 -15.2670776113257 4044795 C1CC(=O)NN=C1C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3 1 1.898 2 5 0 -16.5656642790427 4044761 C1=CC2=C(C(=C1)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl)N=CC=C2 1 4.135 2 3 -1.45770588368017 4044702 CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)C4CCS(=O)(=O)C4 1 3.072 3 4 0 -31.685072742331 4044700 COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.786 2 4 -6.18270423033965 4044670 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC3CCCCC3=O 1 3.091 1 5 -21.688550063936 4044619 C1COCCN1C2=CC(=C(C=C2C3C4=C(O3)NC(=S)NC4=O)[N+](=O)[O-])N5CCOCC5 1 1.667 5 6 0 -10.0539172265508 4044585 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC(=CC(=N3)N)N 1 1.369 6 3 0 -23.6935026647109 4044574 CCN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)COC3=CC=CC=C3OC 1 1.897 3 5 0 -17.3009650519428 4044573 CCC(C1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=C(N=CC=C3)Cl)N(C)C 1 3.694 6 1 0 -15.2803154500495 4044554 CC(=NNC(=O)C1=CC2=C(N1C)C=CC(=C2)Cl)C3=C(C=CC(=C3)OC)OC 1 4.086 3 3 -3.74568707513784 4044537 C1=CC=C(C(=C1)C(=O)NCC(=O)NN=CC2=CC=CO2)Br 1 1.886 3 3 0 -12.6380521880808 4044464 C1COCCN1C2=NC(=NC(=N2)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)N5CCOCC5)N6CCOCC6 1 1.002 8 4 0 -12.7759648026661 4044387 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC2=C(C=C(C3=C2N=C(C=C3)C)Cl)Cl 1 3.85 3 4 0 -12.3939377867725 4044373 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 3.774 1 3 -13.1002367020506 4044311 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C4CN(CCC4=NC5=CC=CC=C53)CC6=CC=CC=C6 1 4.709 4 3 0 -16.4480429259169 4044254 CC(C(=O)NC1=NN=C(S1)C2CC2)N3C(=O)C4CC=CCC4C3=O 1 1.047 4 3 0 -12.9786465936196 4044201 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3O2 1 1.212 2 4 0 -17.4781191072737 4044167 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(S3)C)C 1 4.447 3 1 -18.9224222796568 4044166 CC1CN(CC(O1)C)C(=O)COC2=C(N=C(C=C2)C)[N+](=O)[O-] 1 1.087 3 5 0 -13.8318468165737 4044157 CC(CCC1=CC=CC=C1)NC(=O)CNC(=O)COC2=CC=CC=C2 1 2.671 2 3 -15.0625721509336 4044143 CC(C(C1=CC=CC=C1)N2CCOCC2)NC(=S)NC3=CC=CC=C3Cl 1 4.992 3 1 -8.52719010961329 4044118 CN1C=CC=C1C(=O)NC(=O)COC(=O)CNC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 1.233 4 6 0 -14.5411585302963 4043965 CC1CCCC(N1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C 1 2.092 2 6 0 -26.3954254495161 4043922 CC1=CC2=C(C3=C(CCCC3)N=C2C=C1)C(=O)OC4CCOC4=O 1 3.601 1 4 -3.20217277559555 4043891 CC1=C(SN=N1)C(=O)NN=CC2=CC(=CC=C2)C(F)(F)F 1 2.744 4 1 -6.85674252281459 4043857 CC1CCCC(C1C)NC(=O)COC(=O)C2=CC=CS2 1 3.127 1 3 -14.1627845879628 4043841 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=CC=C(C=C3)NC(=O)C 1 3.77 2 4 -9.19083613624026 4043814 CCN1C2=C(C3=C(S2)COC(C3)(C)C)C(=N)N(C1=O)CC4=CC=CO4 1 2.47 3 3 -16.2634227634437 4043682 CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)OC(C)C(=O)N(C)C4=CC=CC=C4 1 3.078 4 6 0 -22.7179164213742 4043681 CC1=CC=CC=C1OCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 4.336 2 4 -8.37189653837709 4043602 CC1=C(C=CC(=C1)OC)CCCC2=NN=C(O2)SCC(=O)NN 1 1.991 4 3 0 -15.5942012944856 4043559 CC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC3=CC=C(C=C3)OC)CCC(=O)O 1 4.036 2 4 -9.65669082957417 4043438 CC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl 1 2.956 3 2 -5.48485460939013 4043325 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC 1 4.557 3 5 0 -6.7889045143792 4043316 C1CC2=C(C(CC(=O)N2C3=C(C=C(C=C3)F)F)C4=CC=CC=C4)C(=O)C1 1 3.743 1 2 -10.4589957163858 4043306 CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2=CC=C(O2)C=NNC(=O)C(=O)NC3=C(C=C(C=C3)OC)OC)C 1 2.42 5 7 0 -17.4539284866032 4043273 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(S2)N 1 1.653 4 2 0 -12.8046657291141 4043160 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N)OC 1 3.121 4 6 0 -30.5182387858989 4043107 CCNC1=NC(=CS1)C2=C(N(C(=C2)C)CC3=CC=CO3)C 1 2.815 3 1 -1.48090320516672 4042942 CN1CC(=O)N(C1=O)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 -1.308 4 6 0 -26.1250733373419 4042848 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC(=O)C4=CC=CC=C4N 1 3.413 4 1 1.78041705535562 4042818 CC(C)CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3)C 1 2.403 4 5 0 -16.4964649915048 4042813 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC)C4=CC=C(C=C4)F 1 4.242 3 5 0 -7.6599720529519 4042759 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC5=CC=CC=C5C=C4 1 1.425 4 6 0 -19.8883249001124 4042562 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=C(C(=C2)O)O)O)CN3CCN(CC3)C4=CC=C(C=C4)F 1 3.849 4 5 0 1.95633120378129 4042403 CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC=CC=C2F 1 4.001 3 0 -9.95289629096209 4042353 CC(=NNC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])C 1 1.956 4 2 0 -0.712646750561723 4042358 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3)C 1 2.835 2 3 -20.379215059204 4042310 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3 1 2.474 1 5 -16.1869115705941 4042293 CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3)C 1 2.67 4 2 -11.3455232910819 4042191 CC(C)(C)C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CC2=CC=CC=C2 1 3.815 1 3 -8.54578595163824 4042187 CC1CN2C(=NN=C2S1)COC3=CC=CC=C3C 1 2.926 3 1 -4.70877680208937 4042043 CCCCN1C2=C(N=C1SCC3=NC(=NC(=N3)N)N4CCCCC4)N(C(=O)N(C2=O)C)C 1 2.654 9 2 0 -19.4880192104041 4042014 CC1CCC(C(C1)OC(=O)COC(=O)C2=CC=CC=C2N)C(C)C 1 3.783 1 4 -5.27746667672841 4042008 C1CC1C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3 1 3.784 3 3 -6.14478650151271 4041868 COC1=CC=CC(=C1)NC(=S)NN=C2CCCCCC2 1 4.25 3 1 -10.1728683914818 4041865 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN=C2CCCC(=O)C2 1 1.221 3 4 0 -20.289770610996 4041844 COC1=CC2=C(C=C1)C=C(C(=NNC(=O)C3=CC=CC=C3)O2)C(=O)N 1 1.939 3 4 0 -8.42532507752464 4041831 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4CC4 1 1.136 3 4 0 -17.2974098642566 4041828 CC(C)NC(=S)NN=C(C)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] 1 3.497 4 2 -13.760204955425 4041786 CC1=C(C(=CC=C1)C)NC(=O)C(=O)NCCC2=CNC3=CC=CC=C32 1 3.475 3 2 -14.5749252488439 4041782 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C 1 2.705 2 3 -15.0659864311308 4041751 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 2.318 4 6 0 -12.824593384655 4041614 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CS2)S(=O)(=O)N3CCCCCC3 1 3.08 2 4 -12.703636882528 4041514 CC1=CCC(CC1=NNC(=O)COC2=CC=CC=C2C)C(=C)C 1 3.916 2 2 -5.81424047049496 4041504 CC1CCCCC1NC(=O)COC(=O)C2=CC=CN2C 1 2.513 2 3 -15.1552693654802 4041375 COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NC3=CC=C(C=C3)F 1 2.888 2 3 -4.19845238402846 4041190 C1CN(CCN1C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C(=O)C3=CC=CO3 1 0.375 4 7 0 -12.7906683695832 4041127 CCCCNC(=O)C(=O)NN=CC1=CC=C(C=C1)OCC2=CC=CC=C2 1 3.268 3 3 -13.2991945555146 4041117 C1=CC=NC(=C1)C=NNC2=NC(=O)C(S2)CC3=CC(=CC=C3)SC(F)F 1 4.632 4 1 -3.8098588644971 4041116 CC1(CC(CCO1)C(CC2=CC=CC=C2)CC(=O)N(C)CCC#N)C 1 2.939 2 2 -10.9588595801033 4041042 CC1=NC=C(N=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC 1 1.042 4 4 0 -25.3296926535069 4041038 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl 1 4.876 3 4 0 -14.5979021926364 4041008 CCC1=C(C(=CC=C1)CC)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 3.556 2 4 -8.41176102774009 4040905 CC(C1=CC=CC=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3 1 4.259 2 3 -21.5134163364316 4040897 CC1CCCCC1NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.839 2 3 -8.95856545139658 4040791 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4 1 2.999 4 4 0 -10.4814404285591 4040785 CC(=NNC(=O)C1=CC=CC=C1OCCOC2=CC=CC=C2)C3=CC=CC=C3F 1 4.485 2 3 -8.25171568294143 4040614 CCCCCNC1=CC(=O)CC(C1)C2=CC=CC=C2 1 3.46 1 1 -11.1576425857245 4040549 COC1=C(C=C(C=C1)C(=O)NC2CCCCCC2)S(=O)(=O)N3CCOCC3 1 2.14 2 5 0 -23.2552021902072 4040443 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)NC5=NCCCCC5 1 5.059 5 4 0 -29.6054864284172 4040476 CC1=CC(=C(C=C1)NC(=O)C2=C(NC(=O)NC2C3=CC=C(O3)C)C)C 1 2.4 3 3 -32.1141029938569 4040459 CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3O 1 4.131 1 5 -15.8597120200621 4040417 C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NCC4=CC=CO4 1 2.257 2 4 -12.2529102996594 4040308 CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3 1 1.071 2 7 0 -27.540187724044 4040251 CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C34CC5CC(C3)CC(C5)C4 1 4.676 0 4 -3.37316265739553 4040224 C1CC(=O)N(N=C1C(=O)OCC(=O)NCC2=CC=CC=C2Cl)C3=CC=CC=C3 1 2.466 3 4 0 -21.5131388004257 4040217 CC(CCC1=CC=CC=C1)NC(=O)CSC2=CC=CC=[N+]2[O-] 1 2.714 2 2 -13.0885295493432 4040136 C1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC3=CC=C(C=C3)Br)C4=CC=CC=C4 1 6.453 2 1 -1.24601519680324 4040037 C1CCC2(CCN(C(C2C1)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5Cl)O 1 4.642 1 3 -1.67209600532527 4039996 C1CC(CN(C1)CC(C2=CC=CC=C2)O)O 1 1.343 1 2 0 -8.52927435894088e-002 4039991 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54 1 3.849 2 5 0 -18.0256935508234 4039919 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)F 1 1.287 2 7 0 -25.6282007164331 4039792 CC1=NC=CN1CC(=O)NN=CC2=CC(=CC=C2)O 1 0.647 4 2 0 -5.33566221034865 4039773 CC1CC(=O)N(C2=C(N1)C=C(C=C2)[N+](=O)[O-])C 1 1.171 3 3 0 -4.94830036093826 4039611 C1CCC(CC1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N 1 2.96 4 2 -17.4231625736547 4039563 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(=O)CNC(=O)C3=CC=CC=C3)C4(CCCCC4)C(=O)NC5CCCCC5 1 3.819 5 4 0 -27.8433322320099 4039488 C1=CC=C2C(=C1)C(=NS2(=O)=O)N(CCO)N=CC3=CC=C(C=C3)Br 1 2.68 3 3 -0.478719197514586 4039456 CC1(CC2=CC=CC=C2C(N1C)C3=NN=NN3C4=CC=CC=C4)C 1 3.359 5 0 -7.72643269883384 4039426 C1COCCN1CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CO5)N 1 1.598 6 3 0 -18.1464558512905 4039398 COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=CC(=C(N=C3)Cl)Cl)C4=CC=CC=C4 1 4.494 3 4 0 -10.8625903904257 4039390 CC1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C 1 5.355 3 5 0 -14.3329429185983 4039375 C1=CC(=CC(=C1)Br)C=NNC2=C3C=CC(=CC3=NC=C2)Cl 1 5.047 3 0 4.73752932214586 4039251 CC1=CC=C(C=C1)SCC2=C3C(=NN2)OC(=C(C34C5=C(C=CC(=C5)[N+](=O)[O-])NC4=O)C#N)N 1 3.103 6 4 0 -7.93490935805406 4039288 CCOP(=O)(C(C1=CC=CC=C1)NC(=O)NC2=C(C=C(C=C2C)C)C)OCC 1 4.199 2 4 -11.1121626869392 4039224 CC1=CC(=NN1CCC2=NC(=CS2)C3=C(C=CC(=C3)OC)OC)C 1 3.302 3 2 -4.91294443540122 4039175 CC1=NC(=C(C=C1)OCC(=O)C2=CC(=C(C=C2C)C)C)[N+](=O)[O-] 1 4.093 2 4 -2.6708280046386 4039144 COC1=CC=CC(=C1)C=NNC(=O)CCCC(=O)NC2=CC=C(C=C2)Br 1 3.207 3 3 -10.4261188666875 4039124 CC1=CC=CC=C1C2C(=C(OC(=C2C(=O)C)C3=CC=CC=C3)N)C#N 1 3.21 2 2 -10.750799012913 4039105 CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=O)N2C3CC3)S(=O)(=O)N4CCOCC4 1 1.034 5 5 0 -31.9507478297583 4039101 CC1CN(CC(O1)C)C(=O)COC2=C(C=C(C=C2)C3C(=C(NC(=S)N3)C)C(=O)OCCOC)OC 1 1.897 3 7 0 -44.1972465430495 4039086 CCOC1=C(C=CC(=C1)C=NNC2=CC=C(C=C2)C(=O)O)OC(=O)C3=CC=CC=C3C 1 5.329 2 5 0 -9.94874708069729 4038913 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4 1 3.689 2 5 0 -16.0864173897719 4038912 CC(=NNC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C(F)(F)F)C3=CC(=C(C(=C3)OC)OC)OC 1 4.074 4 4 0 -11.2200421015341 4038865 COC1=CC=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=NC=C2 1 0.576 4 3 0 -13.5725210022431 4038841 C1=CC=C(C=C1)N2C(=O)C(SC2=NN=CC3=CC=C(C=C3)Br)CC(=O)O 1 4.347 3 3 -10.7720422058777 4038769 C1=CC=C2C(=C1)C=C3C(=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-] 1 3.142 3 4 0 3.68691597425599 4038685 COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3)S(=O)(=O)NC4=CC=C(C=C4)Br 1 3.182 3 5 0 -17.0543940559846 4038676 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4 1 2.554 2 6 0 -22.4179969108729 4038623 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3 1 2.521 3 8 0 -20.0177440797966 4038596 COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=CC=C2)Cl)Cl)S(=O)(=O)N3CCCCC3 1 3.664 2 5 0 -11.8642687919307 4038590 CCN(CC)C(=O)C[N+]1=CC=CC(=C1)C(=O)N 1 0.4 3 2 0 -11.3820864002832 4038504 COC1=CC(=C(C=C1)O)C(=O)C2=CN3C4=CC=CC=C4N=C3N=C2 1 3.096 3 3 0.645083319890999 4038499 CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC)Br)CCOC 1 3.092 4 4 0 -9.69050799169016 4038309 CC1(CCN(C2C1CCCC2)C)O 1 1.392 1 1 0 1.01930889636153 4038301 CC1=CC(=NO1)NC(=O)CN2C(=O)C(NC2=O)(C)CCC3=CC=CC=C3 1 1.628 4 4 0 -14.4742334369752 4038015 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Cl 1 3.698 4 2 -17.8630893853199 4037998 C1=CC=C(C(=C1)C#N)NC(=O)CN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43 1 1.894 5 3 0 -10.704575656778 4037995 CC1=C(C=C(C=C1)NC(=O)CC2=CNC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4 1 3.919 3 3 -18.4800198361475 4037994 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)NC4=NC(=CS4)C5=CC=CC=N5 1 0.968 4 3 0 -0.691719579839319 4037954 CC(=NOCC(=O)NC12CC3CC(C1)CC(C3)C2)C4=CC5=CC=CC=C5O4 1 3.474 2 3 -2.30139617683723 4037773 CC1=NN=C(N(C1=O)N)SCC(=O)NC2CCCCC2 1 0.978 5 2 0 -18.0763517778391 4037716 CN(C1=CC=CC=C1)N=NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.684 4 2 0.929906988077669 4037684 CC1=C(C2=CC=CC=C2N1)C(=O)C(=C3N(C(=O)C(=CC4=CC=CC=N4)S3)C5=CC=C(C=C5)Cl)C#N 1 5.587 4 2 1.51055768971492 4037643 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)NC4=NC5=CC=CC=C5N4 1 0.804 4 3 0 -3.72782652443139 4037618 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C4=CC=CC=C4)Cl 1 3.949 2 7 0 -22.4620966089657 4037611 CC1=C(C(=CC=C1)C)OC(=O)CC2=CC=CC=C2 1 4.269 0 2 -5.67569326951158 4037449 CC1=C(C=C(C=C1)NC(=O)CSCCC(=O)OC)S(=O)(=O)N2CCCCC2 1 1.907 2 5 0 -25.7233273072656 4037405 CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-] 1 1.441 4 5 0 -17.7964523140637 4037401 CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C 1 3.051 3 5 0 -15.1348333847503 4037266 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2OC(F)F)C3=CC=CC=C3Cl 1 3.182 3 4 0 -7.21085596191265 4037253 CC(C(C1=CC=CS1)N2CCCC2)NC(=O)NC3=CC=C(C=C3)F 1 3.587 3 1 -4.68950327110443 4037249 CCOP(=O)(C(C1=CC=CC=C1)NC(=O)NC2=CC(=CC=C2)Cl)OCC 1 3.405 2 4 -7.69620835694048 4037244 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 3.628 2 3 -20.836792737357 4037186 CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)C)C(=O)OC 1 0.374 2 8 0 -21.2621147562118 4037146 C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=C(C(=O)NC3=O)Br 1 2.842 2 2 -6.33843564907957 4036999 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 2.467 2 6 0 -17.7037844016038 4036784 CCC(C)C1=CC=C(C=C1)NS(=O)(=O)C2=C(NC(=O)NC2=O)C 1 1.344 3 4 0 -12.3552428181964 4036780 CC1(COC2(C3=CC=CC=C3N(C2=O)C)OC1)[N+](=O)[O-] 1 1.069 2 5 0 -4.40494889081052 4036736 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=CC=N3)[N+](=O)[O-] 1 2.199 5 4 0 -13.0038485012759 4036674 CC1=CC=CC=C1N2C(=C(C(=N2)C)N=O)N 1 2.449 4 1 -2.6599464939147 4036673 CC1=CC(=C(C=C1NC(=S)NC2=CC(=C(C=C2)Cl)Cl)OC)OC 1 6.148 2 2 -7.08288735769493 4036655 CC(=NNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2)C3=CC=C(C=C3)C(C)(C)C 1 4.338 3 3 -7.26091947997474 4036625 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)C 1 3.034 1 6 0 -12.4376331401044 4036552 CC1CC1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 1.79 3 5 0 -15.7595644009775 4036509 CC1CCCCC1NC(=O)COC(=O)CC2=CC(=C(C(=C2)OC)OC)OC 1 2.908 1 6 0 -18.4587690406247 4036272 CCC(C(=O)N1CCCC1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC 1 2.541 3 4 0 -19.2160850839119 4036264 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-] 1 1.411 4 4 0 -14.4939913575081 4036201 CC(C)CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2 1 1.974 3 4 0 -9.66509442273754 4036170 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl 1 2.894 5 2 0 -10.7719693153074 4036161 CCOC1=CC=C(C=C1)NC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC 1 3.154 3 4 0 -6.06754204760317 4036069 CC1=C(C=CC(=C1)Cl)OCCCC(=O)OCC(=O)N 1 2.094 1 4 -6.17528760457397 4036050 CCC1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 3.098 2 4 -14.5824943630232 4036019 C1=CC=C(C=C1)N2N=C(C(=N2)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)Cl)C(=O)N 1 2.647 9 2 0 -20.2429042359331 4035957 C1=CC=C(C=C1)C(=O)C2=[N+](C3=CC=CC=C3N=C2COC(=O)C4=CN=CC=C4)[O-] 1 2.786 3 4 0 -4.63935600613298 4035953 CCCN1C(=NNC1=S)C(C)NS(=O)(=O)C2=CC=CC=C2 1 2.221 4 2 -13.8447099323995 4035890 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=C(N=CC=C3)Cl 1 2.702 2 3 -10.2351515096759 4035889 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32 1 1.074 4 6 0 -24.490158746025 4035805 CN(C)C1=NC(=NC(=C1)NN=CC2=CC=CC=C2OC)N(C)C 1 2.337 6 1 0 7.06893204308969e-002 4035800 CC1=CC=C(O1)C=NNC2=NC(=O)C=C(N2)C 1 0.948 4 2 0 -11.4020685484115 4035723 CC1=C(C(=NN1CC(=O)OCC(=O)NC(C)C2=CC=CC=C2)C)[N+](=O)[O-] 1 1.53 4 5 0 -15.2945521729605 4035628 CC(C)(C)C1=CSC(=N1)NC(=O)CS(=O)(=O)C2=CC=CC=C2 1 2.818 2 3 -10.0902829345376 4035516 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4 1 2.658 2 4 -11.7748498012708 4035512 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3F 1 2.77 3 4 0 -14.4345728415509 4035500 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F 1 2.77 8 4 0 -26.7659131733312 4035462 COC1=CC=CC=C1C(=O)NC(=O)NC2=CC(=CC=C2)Cl 1 3.042 2 3 -1.58806851577532 4035414 CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)NC4CCS(=O)(=O)C4 1 2.099 3 3 -28.4147219504293 4035331 CC1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CS3 1 2.966 4 1 -12.3382272839702 4035310 CC(C)(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NCCCCC2 1 2.62 3 3 -18.2425809779691 4035295 C1=CC=C(C=C1)C(CNCCC2=CNC3=CC=CC=C32)O 1 3.055 2 1 -2.21557788167756 4035288 CC1CCCC(C1C)NC(=O)COC(=O)CN2C(=O)C3CCCCC3C2=O 1 2.075 2 5 0 -15.4143566747815 4035286 CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC(C)C 1 2.973 3 3 -22.288594023745 4035225 CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)N=CS3 1 2.896 2 3 -15.0418296438334 4035194 CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CCOC)C)[N+](=O)[O-] 1 2.094 3 5 0 -14.0958845455019 4035161 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 0.47 5 6 0 -20.4950240541022 4035156 C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CC=CS4)S(=O)(=O)C5=CC=CC=C5 1 3.627 4 2 -10.7498153299753 4035104 CCN(CC)CC(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O 1 2.632 2 3 -6.44928397198037 4035153 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F 1 1.951 3 5 0 -19.4692059708444 4035120 CC(=NNC(=S)NC1CCCCC1)C2=CC(=CC=C2)C(F)(F)F 1 5.012 3 0 -4.70066783245633 4035077 COC1=CC=C(C=C1)CC2=NN=C(S2)CCC3=CC=CC=C3 1 4.121 2 1 -3.88248910732498 4035069 C1COCCN1C2=NC(=C(S2)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)NC4=CC=CC=C4Cl)C5=CC=CC=C5 1 4.96 6 5 0 1.27433922448893 4035057 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.502 3 5 0 -17.2394478060222 4035024 CC(CC1=CC=CS1)NC(=O)C2=CC(=CC=C2)Cl 1 3.651 1 1 -9.14306162456644 4035016 CC1=CC=C(C=C1)C2=NN(C(O2)(C)CC3=CC=C(C=C3)OC)C(=O)C 1 3.394 2 3 -2.8831594254819 4034998 COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 2.111 4 5 0 -23.2562435957321 4034938 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3CC3 1 1.741 2 2 0 -10.2802043197287 4034917 CCNC(=O)CC1C(=O)N(C(=S)N1NC(=O)C2=CN=CC=C2)CC 1 9.7e-002 5 3 0 -20.1291717514646 4034799 CC(C)(C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCC2 1 2.943 3 3 -9.84911454760703 4034775 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CC(=CC=C3)Br 1 4.385 1 1 -5.39534961002904 4034739 CCCCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.493 2 5 0 -18.3302529983179 4034696 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC(=O)NCCC4=CC=C(C=C4)F 1 2.739 3 6 0 -25.2474647161541 4034672 CN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CC=C2)C(F)(F)F 1 2.255 5 2 0 -13.9896024080858 4034663 C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N(C(=N3)C4=CC=C(C=C4)C(F)(F)F)CCO 1 3.605 4 3 0 2.27931579915181 4034542 C1CCN(CC1)C2=NC(=C(S2)C=NNC(=O)C3CC3)C4=CC=CS4 1 3.425 4 1 -5.24143172878236 4034437 C1CCN(C(C1)CO)C(=S)NC2=CC(=CC=C2)Cl 1 4.119 2 1 -4.01748613748868 4034435 CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-] 1 3.439 2 6 0 -7.51476527081357 4034424 CCC1=C(C(=CC=C1)CC)NC(=O)C2C(=C(C(=NC3=CC=CC=C3C)S2)C4=NC5=CC=CC=C5S4)N 1 6.698 4 1 5.01323942781877 4034380 CC1=CC(=NC2=NC(=NN12)SC(C)C(=O)N(C)C3=CC=CC=C3)C 1 3.195 5 1 -10.0417731836489 4034379 C1=CC(=CC=C1N=NN(CCO)CCO)[N+](=O)[O-] 1 1.029 4 4 0 2.71019261068354 4034377 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4 1 2.821 4 4 0 -20.1453715905959 4034337 CC(C)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43 1 3.209 4 3 0 -7.71466716060757 4034196 CC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC(C2)CO 1 2.804 2 2 -12.9522003134255 4034195 CC(C)(C)C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CC2=CC=C(C=C2)F 1 4.02 1 3 -7.01909402139339 4034051 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCSC3=NC4=CC=CC=C4N3 1 3.787 5 3 0 -8.43326142503818 4034022 CC1=CC=C(C=C1)C2=NN=C3N2C(=O)C(=CC4=CC=CO4)S3 1 3.656 3 2 -3.98815882215965 4034014 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NN=C2CCCC3=CC=CC=C32)[N+](=O)[O-] 1 3.919 4 4 0 -17.6750155288495 4033942 CC(C)OC1=CC=C(C=C1)C(=O)NC2(C(=O)N3CCSC3=N2)C(F)(F)F 1 3.295 3 3 -10.2050133757646 4033893 C1CC(=CC(=O)C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.882 2 2 -8.15987455273508 4033867 CC1=CC=CN2C1=NC(=C2)C3=CNC4=CC=CC=C43 1 3.297 3 0 -1.19257990463674 4033684 CCCC(CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O 1 2.521 2 5 0 -12.4951868859768 4033474 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)N(C)C3CCS(=O)(=O)C3 1 1.559 4 3 0 -24.0645210114892 4033460 C1CCC(CC1)C(=O)NC(=S)N(CC2=CC=CC=C2)C3=CC=CC=N3 1 5.553 3 1 -6.76092950126139 4033407 CN1C=C(C(=N1)C(=O)NNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)[N+](=O)[O-] 1 1.403 6 6 0 -5.89655754642308 4033374 C1CCC(C1)(C(=O)NC2=CC=CC=C2)N(C3CC3)C(=O)C4=CC5=CC=CC=C5O4 1 4.436 2 3 -1.61029775053479 4033365 CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCC2)OCC 1 2.076 1 5 -16.4562373236743 4033338 CC(C(=O)OCC(=O)C1=C(N(C(=O)N(C1=O)C)C)N)N2C(=O)C3=CC=CC=C3C2=O 1 -0.39 4 7 0 -21.0363799950691 4033284 CCOC1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NCC3=CC=CC=C3 1 3.038 2 3 -12.0657614299117 4033235 CC1CC(CN(C1)C(=O)CCC(=O)NC2=NN=C(S2)CC(C)C)C 1 2.245 4 2 -19.252796353955 4033224 CC(C(=O)NC1=C(C(=C(O1)C2=CC=CO2)C3=CC=CO3)C#N)OC4=CC=CC=C4 1 4.159 2 5 0 -5.97602166272884 4033219 CC1=C(SC2=C1C(=O)N(C(=N2)SC3CCOC3=O)CC4=CC=CC=C4)C 1 3.961 2 3 -12.3933687185241 4033193 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=NC=CN=C4 1 0.169 5 4 0 -22.3843178517812 4033191 COC1=CC=C(C=C1)CCCC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)OC 1 3.763 3 4 0 -17.8034222599002 4033090 C1CCN(C1)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.089 2 2 -3.82559796113962 4032785 C1CN(CCN1CC2=NN=C(O2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl 1 3.689 4 1 7.80458160205892 4032767 CCOC(=O)C1=CC=CC(=N1)C(=O)OC2=CC=CC=C2 1 3.172 1 4 -10.0333976463932 4032628 CC(C)NC(=O)CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4 1 2.853 5 3 0 -21.0255083633056 4032625 C1CC(CC(C1)CNC(=O)N2CCC3=CC=CC=C32)CNC(=O)N4CCC5=CC=CC=C54 1 4.094 4 2 -10.1322666296795 4032484 CCSC1=NN=C(N1CC2=CC=CO2)C3=CN=CC=C3 1 2.371 4 1 -7.1171693498472 4032336 C1CCC(CC1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 2.615 2 4 -12.0072713090175 4032222 CCOC1=CC=CC=C1NC(=S)NCCCN2C=CN=C2 1 2.648 4 1 -10.2464627297134 4032236 CCOC(=O)N1C(=O)C2(CCCCC2)N(C1=S)C3=CC=CC=C3Cl 1 5.715 2 3 -0.618159782522367 4030855 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=CC(=C3)N)C)C 1 2.241 2 2 -13.6603379280601 4030804 CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2 1 1.398 1 6 0 -20.6344759885728 4030782 CC1=CC(=NC2=NC(=NN12)C(=O)NCC3=CC=CC=C3)C 1 1.699 5 1 0 -13.3210538189116 4030511 CCOC(=O)CC(C1=CC=C(C=C1)C)NC(=O)C2=CC=CO2 1 2.835 1 4 -9.40663099916283 4030470 CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3)C 1 3.954 4 3 0 -2.25231776044045 4030334 C1CS(=O)(=O)CC1NC(=O)COC2=C(N=CC=C2)[N+](=O)[O-] 1 -0.336 3 6 0 -16.209117217044 4030323 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)NN=C(C)C3=CC=C(C=C3)OC(F)F 1 4.656 3 4 0 -8.75003669616781 4030278 CC(C)CCNC(=O)NC(=O)COC(=O)CNC(=O)C1CCCCC1 1 1.627 3 5 0 -18.2990744388922 4030276 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4 1 3.542 3 3 -11.1600873110165 4030213 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=CC=C4)OC(F)F 1 3.986 1 2 -6.37677833828684 4030055 C1COCCN1C2=NC3=C(S2)C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F 1 3.619 3 1 2.29314181446164 4030034 CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=C(O3)C 1 1.396 9 3 0 -26.708197580208 4030009 CC1=C(SC=C1)C(=O)NC(C)C2=CC=CC=C2 1 3.438 1 1 -9.81752636194372 4029999 CCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)NC3CCCCC3C 1 3.282 2 5 0 -23.1524314647562 4029895 CC1=CC=C(C=C1)OCCN2C(=O)C3(CCC4=CC=CC=C4C3)NC2=O 1 3.698 2 3 -1.64129852000613 4029852 CC1=CC(=CC=C1)NC(=O)CCC(=O)NN=CC2=CC=CO2 1 1.9 3 3 0 -7.29637227806582 4029836 CC1=CC=C(S1)C2C(=C(NC(=S)N2)C)C(=O)N(C)C 1 1.903 3 1 0 -18.8990182008768 4029771 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 1.462 3 6 0 -19.7324937551037 4029817 COC1=CC=CC(=C1)C2C3=C(C(=O)N2CCCN4CCOCC4)OC5=CC=CC=C5C3=O 1 2.23 2 5 0 -10.4330487789362 4029767 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC(=O)NC3CCS(=O)(=O)C3 1 0.73 3 7 0 -24.8355051233649 4029703 CCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2 1 2.072 4 2 -15.84588701354 4029686 CCOC(=O)C1(CC(=NN1C(=O)C2=CC(=CC=C2)Cl)C)O 1 1.702 2 4 0 -0.387015802883322 4029369 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC3=CC=C(C=C3)Cl 1 0.908 5 5 0 -19.9627667949882 4029352 CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=CC=C2 1 -0.137 2 5 0 -24.9268621647318 4029260 COC1=CC=CC=C1CNC(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 2.341 3 4 0 -12.1791628283998 4029243 CC(COC)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCN4CCOCC4)N 1 1.789 5 4 0 -14.388259045018 4029195 CCOCCCNC(=O)C(C1=CC=C(C=C1)C)NC(=O)CC2=CC=CS2 1 2.571 2 3 -20.683447796929 4029169 CC1CCC2=C(C1)SC=C2C(=O)NCC3=CN=CC=C3 1 2.768 2 1 -12.850128704385 4029154 CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)N(C)CC2=CC=C(C=C2)C(F)(F)F 1 4.614 2 2 -0.258086102015367 4029133 CC1=CC(=CC=C1)NC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N 1 3.117 6 2 0 4.43837475665478e-002 4029052 C1CCC(CC1)CNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.61 2 6 0 -18.4916704099579 4029048 CCOC1=CC=C(C=C1)CN(C)CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC 1 3.236 3 5 0 -10.0803155828543 4029013 COC1=C(C=C(C=C1)C(=O)NCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=CO3)OC 1 2.537 3 7 0 -21.3852579466473 4029002 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)O 1 3.112 4 4 0 -3.09359363571606 4028907 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)C4=CC=C(C=C4)F 1 1.955 3 6 0 -22.5656977259727 4028833 CCOC(=O)CC(C1=CC=CC=C1Cl)NC(=O)CC2=CC=CC=C2 1 3.653 1 3 -13.0603553892262 4028831 CNC(=O)CC1C(=O)N(C(=S)N1NC(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)F 1 3.081 4 3 0 -15.5051139756737 4028818 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCCC3 1 3.364 2 4 -14.9639038306061 4028803 C1C2CC3CC1CC(C2)(C3)C(=O)NN=CC4=CN=CC=C4 1 2.424 3 1 -6.34644203317365 4028690 C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC(=CC=C4)Br 1 2.745 1 4 -4.94195257034666 4028688 C1=CC=C(C=C1)CCC(=O)OCC(=O)C2=CC=C(C=C2)Br 1 4.18 0 3 -10.2449748007919 4028657 CCN(C1CCCCC1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C 1 2.565 2 4 -10.190401573933 4028655 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCC4=CC=CC=C4C3 1 1.897 3 3 0 -12.4634705822516 4028568 CC1=CC(=NN1)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 0.784 5 4 0 -10.1786497098638 4028555 CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)CC3=CC(=CC=C3)Cl)C 1 1.486 5 3 0 -3.9014166604404 4028550 COC1=CC=CC=C1C=NNC(=O)CN2C=NC(=N2)[N+](=O)[O-] 1 0.9 6 4 0 -10.5677738940107 4028349 CCCCNC(=O)CN1C(=O)C(NC1=O)CCC2=CC=CC=C2 1 1.93 3 3 0 -14.5470264392702 4028296 C1CN(C2=CC=CC=C21)C(=O)C3CC=CCC3C(=O)O 1 2.097 1 3 -10.4140415991153 4028227 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CN=C(C=C2)Cl 1 0.181 2 5 0 -21.0787045595394 4028150 CCOC(=O)NNC(=O)C12CC3CC(C1)CC(C3)C2 1 2.09 2 3 -5.74463492475686 4028141 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC=C2OC)C3=CC4=C(C=C3)OCCO4 1 2.921 3 6 0 -17.3653372361079 4028122 COC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4CCC=CC4 1 2.71 8 3 0 -21.8077218357466 4028066 CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)CN5CCCC(C5)C)O 1 5.801 2 5 0 4.00036640183691 4028035 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(S3)CCCC4)C)C 1 5.897 2 3 -11.8151438446881 4028033 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)OCC(=O)NC3=C(C=CC=C3F)F)C 1 2.745 4 5 0 -20.1071792883541 4027877 C1CCN(C1)C2=C(C=C(C=C2)C=NNC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53)[N+](=O)[O-] 1 4.382 5 4 0 -5.14684583001873 4027872 C1CS(=O)(=O)CC1NC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O 1 0.106 3 6 0 -12.7140380744308 4027850 CC1=NC2=CC=CC=C2N=C(C1=NOCC3=C(C=C(C=C3)Cl)Cl)C 1 4.511 3 1 2.91527989900906 4027838 CC1CCN(CC1)C(=O)CCC2=NC3=CC=CC=C3N(C2=O)C4=CC=C(C=C4)OC 1 3.398 3 3 -16.8724751916953 4027834 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)N(C)C5CCS(=O)(=O)C5 1 1.679 5 5 0 -37.3524326719017 4027779 CC1=NN(C(=C1)N)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-] 1 1.189 5 4 0 -16.3736828943335 4027715 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4(CCCC5=CC=CC=C54)NC3=O 1 2.385 4 5 0 -18.6965495423407 4027671 COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CO2)[N+](=O)[O-] 1 1.594 2 7 0 -9.57293420134198 4027670 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC 1 3.445 2 5 0 -22.1218784775917 4027662 CC(C)(C)C(=O)CN1C(=NC(=N1)Cl)Cl 1 2.655 3 1 -5.53415293293014 4027658 C1CC1NC2=NC=C3C(=N2)CC(CC3=O)C4=CC=CC=C4 1 2.21 3 1 -13.0035480544528 4027653 CCOC(=O)C(C)C(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)C 1 2.503 2 4 -4.13740371488745 4027649 CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2CCCO2)Br 1 3.505 2 2 -12.7362173318874 4027633 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl 1 4.407 2 5 0 -12.4082468492474 4027631 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 3.723 2 7 0 -18.7218466867901 4027577 CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)NC3CCS(=O)(=O)C3)Cl)Cl 1 2.178 2 4 -12.508918935552 4027576 CC1=CC=C(C=C1)C2=C(SC(=N2)NCC3CCCO3)C 1 3.1 2 1 -4.28722950795298 4027547 CCOC1=C(C=CC=N1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4 1 0.99 4 6 0 -23.4133348089581 4027541 CCCCCCCC1=NN2C(=CC(=O)N=C2S1)O 1 3.887 3 2 -9.93461143110011 4027510 COC1=CC=CC(=C1OC)C(=O)NC(=S)NN2C=NN=C2 1 1.002 5 3 0 -11.3845608030221 4027441 CC1CCC(C(C1)OC(=O)COC(=O)C2=C(C=CC(=C2)O)N)C(C)C 1 3.541 1 5 -1.46481292611238 4027362 COC1=CC=CC=C1C(=O)COC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)SC(F)F 1 4.908 1 6 0 -13.2314887501772 4027281 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC=NC3=CC=CC=C32 1 1.242 3 3 0 -17.3151072073099 4027266 C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=O)COC2=CC=CC=C2 1 1.049 3 4 0 -17.3199023108051 4027236 CC1(C2CC=C(C1C2)C=NNC(=S)NC3=CN=CC=C3)C 1 3.384 4 0 -0.484304779947873 4027155 CC(C)C(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl 1 1.844 1 6 0 -18.2685717606356 4027062 C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)C#N 1 4.636 4 1 -9.35163007685551 4027061 C1COCCN1CC(=O)NNC2=C3C=CC=CC3=NC4=CC=CC=C42 1 2.189 4 2 -0.974766517804589 4027053 COC1=C(C=C(C=C1)CC(=O)OCN2C(=O)C3=CC=CC=C3C2=O)OC 1 2.35 1 6 0 -11.2210154346515 4027048 COC1=CC=C(C=C1)CSCC(=O)NN=CC2=CC=C(C=C2)OCC(=O)NCC3=CC=CO3 1 2.876 3 5 0 -19.3544053705088 4027038 COC1=CC(=C(C=C1C(=O)N2CCNC(=O)C2CC(=O)OC)OC)OC 1 0.163 2 7 0 -32.1125889776825 4027033 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)CC3=CSC=C3 1 1.309 2 6 0 -27.4612059479369 4027030 CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CCCCC3 1 3.87 3 3 -28.9840552045025 4026971 C1CCC(=NN=C2N(C(=O)C(S2)CC(=O)O)C3=CC=CC=C3)CC1 1 3.323 3 3 -13.3240385610681 4026959 CC(=NNC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C(F)(F)F)C3=CC4=C(C=C3)OCO4 1 3.892 4 3 0 -9.75175439763565 4026958 COC1=CC=CC=C1C2=NN=C(SC2)NCC3=CC=CC=C3 1 3.714 3 1 -4.36770139782172 4026645 CC1(CC(=O)N(C(=O)C1)C2=CC=CC(=C2)C(F)(F)F)C 1 2.846 1 2 -0.733643699752661 4026584 CC1=C(C=C(C=C1)N2C(=NN=C2SCC3CNC(=O)O3)C4=CC=CC=C4)C 1 4.64 4 2 -7.00695172278763 4026519 CCCOC1=CC=C(C=C1)NC(=O)CCC(=O)NC(C)C2=CC=CC=C2 1 3.191 2 3 -15.3460227984341 4026480 CC1CCC(CC1)C(=O)NNC(=O)OC 1 1.564 2 3 0 -11.5252551433887 4026461 CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC(=O)N(C)C3CCS(=O)(=O)C3)C 1 2.046 4 3 0 -21.4110383345599 4026459 CCNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-] 1 3.935 3 7 0 -21.3637609227991 4026454 CC(COC)NC1=NN=C(C(S1)CC(=O)O)C2=CC=CS2 1 2.212 3 3 -14.1016219134992 4026442 COC1=CC=C(C=C1)CCNC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.55 2 4 -7.40487423728898 4026434 C1CC(OC1)COC2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)Cl 1 3.949 1 3 -10.0505371430869 4026370 CCN(CC1=CC=CC=C1)C(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C 1 3.434 4 6 0 -25.9324592490392 4026242 CN(C1=CC=C(C=C1)O)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 6.038 2 2 -0.970147473438544 4026240 CSCCC(C(=O)OCC(=O)C1=CC=C(C=C1)F)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.385 1 5 -20.4080161189993 4026208 CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CCOC 1 3.524 3 2 -21.4130571986982 4026108 COC1=CC=C(C=C1)CNC(=O)CCCC(=O)NC2=CC(=CC=C2)Br 1 3.145 2 3 -13.8069800405106 4026064 CCCCCCCN1C(=O)C(C(=N1)C)C(=O)C2=CC=CC=C2 1 3.624 2 2 -1.47505016058983 4026041 CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NCC2=CC=CC=C2 1 8.9e-002 5 2 0 -17.03563033989 4026037 C1CCCN(CC1)C(=O)CCC(=O)NCC2=CC=C(C=C2)F 1 2.165 2 2 -17.0057356533687 4026000 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=C(N=CC=C3)Cl 1 4.329 2 5 0 -8.38962695751544 4025840 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 1.524 2 5 0 -17.4743279566397 4025697 CCCC(=O)OCC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2 1 4.15 3 3 -8.43630136220898 4025678 CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC=CC4=CC=CC=C43)C(=O)CC(C2)C5=CC=CC=C5 1 3.44 4 1 -17.4523320296631 4025630 CCN1CCN(CC1)C(=S)NC(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.616 3 1 -11.85472608058 4025567 C1=CC(=CC=C1OC(=O)C2=CC(=CN=C2)Br)Br 1 3.608 1 2 -6.60947169372678 4025447 CNC(=O)C(=C1N(C(=O)C(=CC2=CC=NC=C2)S1)C3=CC=CC=C3)C#N 1 1.859 4 2 0 -9.25189211739808 4025434 CC(CC(=O)NNC(=O)C1=CC(=CC=C1)Cl)C2=CC=CC=C2 1 3.278 2 2 -5.45763733254836 4025382 CC(C)CNC(=O)COC(=O)C1=C2CCCC2=NC3=CC=CC=C31 1 3.187 2 3 -12.0197504285781 4025376 C1CN(CC2=CC=CC=C21)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.419 3 4 0 -23.9855279848991 4025289 C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC3=CC(=CC=C3)[N+](=O)[O-] 1 3.947 2 4 -11.2488399683534 4025268 CC(=NNC(=O)C(=O)NC1=CC=CC(=C1)C(F)(F)F)C2=CC=C(S2)Cl 1 3.284 3 2 -0.137169805575935 4025179 CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)N(C)C4CCS(=O)(=O)C4 1 2.417 2 5 0 -20.491931581876 4025059 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 3.444 2 6 0 -14.5999575216333 4025005 CN(CC1=CC=CC=C1)C(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.322 3 1 -11.7559877642586 4024981 C1=CC(=CN=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N 1 0.671 4 4 0 -8.16134483585598 4024940 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=CC=C4Cl 1 1.47 5 4 0 -16.1517220608554 4024939 CCC1=CC=C(C=C1)NC(=S)NN2C=NN=C2 1 2.578 5 0 -6.44856399744263 4024930 CCOC(=O)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.196 3 2 1.00809429090159 4024925 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC(=C(C=C3)C)C 1 2.954 3 5 0 -12.2261366962767 4024868 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)COC3=CC=CC=C3C#N 1 1.993 4 5 0 -20.1147766037741 4024832 CC(=O)NC1=C(C=C(C=C1)O)[N+](=O)[O-] 1 0.602 2 4 0 -4.59043269977985 4024720 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=N4 1 1.552 5 3 0 -15.5709456354138 4024664 COCCN1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)F 1 3.352 3 2 -19.4934270617573 4024647 C1COC2=CC=CC=C2C13C(=O)N(C(=O)N3)CC(=O)NC4=C(C(=C(C=C4)F)F)F 1 1.844 3 4 0 -6.84000306249115 4024588 CC1=C(SC=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)N(C)C)N)C#N 1 1.935 4 1 0 -18.8657249295586 4024529 CCCNC1=NC(=NC(=N1)N2CC3CC(C2)C4=CC=CC(=O)N4C3)OC 1 1.121 6 2 0 -6.32508007405159 4024522 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NN=C(S3)CC4=CC(=C(C=C4)OC)OC 1 0.937 7 5 0 -32.0821125021156 4024518 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.879 4 2 -3.51662625915163 4024466 CC(C)OC1=CC=C(C=C1)C(CCNCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)F 1 5.895 1 3 -6.07162194660614 4024457 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl 1 4.674 3 6 0 -17.4436282579231 4024156 CC(C)C(C(=O)OCC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C 1 2.827 2 4 -17.2745865084797 4024150 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC(=S)N4CCCC4)C)C 1 4.418 2 1 -12.7737147764308 4023850 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCSC4=NN=NN4C5=CC=CC=C5 1 1.084 9 3 0 -20.3651966316987 4023844 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(O2)CCCC3=CC=C(C=C3)OC 1 4.265 3 3 -15.0894577643535 4023750 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC(C)C3=CC=CC=C3)C 1 2.583 3 3 -10.8630706089576 4023746 CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC 1 4.785 3 2 -1.78103039163407 4023728 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CN=C(C=C3)Cl 1 3.36 2 1 -7.96813515504622 4023723 CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=CC=C3 1 3.705 4 4 0 -33.1372584907449 4023646 CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)N2CCCCC2 1 0.724 1 3 0 -4.59777291906149 4023618 CC1=CC=C(C=C1)NC2=NC(=O)C3=C2C(=CC=C3)[N+](=O)[O-] 1 2.874 3 3 -2.5062120506706 4023603 CCN1C2=CC=CC=C2C3(C1=O)C(=C(C(=O)N3CCCN(C)C)O)C(=O)C4=CC5=CC=CC=C5O4 1 2.612 3 5 0 0.203151770032043 4023596 CC(=NNC(=O)C(=O)NCCOC)CC(=O)NC1=CC=CC(=C1)C(F)(F)F 1 0.456 4 4 0 -10.9634961636873 4023593 CC(C)N1CCC2(CC1)N3C(CC(=N3)C4=CN=CC=C4)C5=C(O2)C(=CC=C5)OC 1 3.098 4 2 -0.686987332139561 4023489 C1C(=O)N(C(S1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 1 3.133 2 3 -12.934683685752 4023389 CC1=CC=CC=C1C(=O)NCC(C)NC(=O)C2=CC=CC=C2C 1 3.244 2 2 -13.4809627649974 4023325 CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)C 1 5.425 2 3 -9.0570680835161 4023277 CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC4=CC5=C(C=C4)OCO5)C 1 5.681 3 4 0 -20.7540058014604 4023235 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.158 3 4 0 -15.0250945423086 4023174 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCCCO 1 1.217 5 4 0 -6.93855683329827 4023155 CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=C(C=C3)C 1 2.507 3 4 0 -8.85737491007131 4023154 COC1=CC=CC=C1OCCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.858 2 8 0 -27.1592371003222 4022978 CC1=CC=CC=C1N=C2N(C(=O)C(S2)CC(=O)NC3=CC4=CC=CC=C4C=C3)CC5=CC=CC=N5 1 5.15 4 2 -4.88769685736898 4022925 CCN(CC(=C)C)C(=O)CN1C(=O)C(NC1=O)(C)C2=CC3=CC=CC=C3C=C2 1 2.662 3 3 -11.9507875897894 4022923 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CNC(=O)C=C3 1 1.443 2 2 0 -10.3383244575216 4022797 CC(C)C1=CC=C(C=C1)NC(=O)CSC(C)C2=NC(=O)C3=CC=CC=C3N2 1 3.625 3 2 -9.37204048403996 4022772 COC1=CC(=CC=C1)OCCNC2=NC=C(C=C2)[N+](=O)[O-] 1 2.065 3 4 0 -5.25323498515407 4022737 C1CC2=CC=CC=C2C3(C1)C(=O)N(C(=O)N3)CC(=O)NCC(F)(F)F 1 1.781 3 3 0 -11.6093284346806 4022735 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(O3)C4=CC=CS4 1 4.991 3 3 -16.2750074884256 4022728 CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C 1 3.247 1 7 0 -22.2823738520243 4022704 CC1CCCC(C1C)NC(=O)COC(=O)CC2=CC=C(C=C2)Br 1 3.957 1 3 -11.943271932299 4022613 CC(C)N(C(C)C)C(=O)COC(=O)C1=NC(=CC=C1)C(=O)OCC(=O)N(C(C)C)C(C)C 1 2.683 3 6 0 -12.4052207030697 4022518 CNC(=O)NC(=O)CSC1=NN=C(N1CC2CCCO2)C3=CC=C(C=C3)F 1 1.812 5 3 0 -20.1235481969317 4022475 CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=O)C3(CCCC3)NC2=O)S(=O)(=O)N(C)C 1 0.464 4 7 0 -16.9586883312728 4022442 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5 1 0.324 3 5 0 -19.008269116934 4022330 CC1(C2CC=C(C1C2)C=NNC(=O)C(=O)N)C 1 0.616 3 2 0 -0.139700834087188 4022271 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC(=CC=C2)Cl)C 1 3.282 2 4 -7.89243427934133 4022196 CCC(C)C(=NNC(=O)CNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C 1 1.232 4 5 0 -15.8025147112377 4022194 CC(C(=O)NN=CC1=CN=CC=C1)OC2=CC=CC3=CC=CC=C32 1 2.76 3 2 -6.12358891112258 4022134 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 1 1.48 3 5 0 -10.2447005967783 4022083 CC1=CC(=C(C=C1)C)NC(=O)C(=O)NN=C(C)C2=CC=NC=C2 1 1.751 4 2 0 -10.2935467727413 4021801 CCNC(=NCC)SC1CC(=O)N(C1=O)C2=CC=C(C=C2)OCC 1 2.561 3 3 -5.93025283909589 4021735 C1CCC(CC1)NC(=O)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.51 4 4 0 -20.0210087728413 4021721 CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(N=C3N=CNN3C2=O)C)C 1 0.247 5 3 0 -6.94389315220572 4021678 CC1=CC=C(C=C1)NC(=O)C(CC(C)C)NC(=O)N 1 2.002 3 2 -13.7453537284992 4021643 CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC=NC=C4 1 0.698 6 4 0 -26.4890567571911 4021578 CC1=CC2=NC(=CC(=O)N2C=C1)C 1 0.721 2 1 0 -7.76263159502917 4021300 CS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)C4=CC=CC=C4 1 3.174 3 3 -11.0661851631129 4021299 C1CC1C(=O)NC(=S)N(CC2=CC=CC=C2)C3=CC=CC=N3 1 4.185 3 1 -10.1556081070011 4021231 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)C(=O)NCC5=CC=C(C=C5)F 1 1.848 5 3 0 -27.6933259404082 4021224 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)C3=CC=CN3C 1 2.072 3 3 -7.6381799713503 4021187 CC1CCCCN1C(=O)COC2=C(C=C(C=C2)OC)C(=O)C3=CN(C(=O)C(=C3)C#N)CCCOC 1 1.544 3 6 0 -18.4092309772201 4021120 CC1CC(=NNC2=NC3=CC=CC=C3C(=C2)C)CC(C1)(C)C 1 4.457 3 0 2.55269292953013 4021056 CC1(CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C1)C 1 1.655 3 4 0 -27.7051246828564 4020993 C1=CC(=CC=C1NC2=NC(=O)NC(=O)N2)[N+](=O)[O-] 1 1.071 5 4 0 -8.22069622596133 4020961 CC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 4.869 3 5 0 -11.4307639173976 4020915 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 3.959 4 2 -10.2731206068498 4020907 C1CCN(C1)C2=NC(=NC(=N2)OCC#N)N3CCCC3 1 1.229 6 1 0 -2.90220228552644 4020866 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NN=CC2CCC=CC2 1 3.113 4 2 -12.3798428638558 4020789 CC(C)C1=CC=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3F 1 3.579 2 3 -11.6428742771647 4020783 CC1=CC=C(C=C1)NC2=NC(=C(S2)CC(=O)O)C3=CC=CC=C3 1 4.129 2 2 0.938078189220942 4020724 COC1=CC2=C(C=C1)N(C(=O)C2=C(C#N)C#N)CCC3=CC=CC=C3 1 3.024 3 2 -2.42874635713091 4020692 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCNC(=O)C(=O)NC3=CC=C(C=C3)Cl 1 2.474 4 3 0 -10.7865310813669 4020585 CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CN2C(=O)C3CCCCC3C2=O 1 0.962 2 6 0 -17.0477010418421 4020555 CC1CCCCC1NC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 6.018 2 0 -6.86896726967326 4020389 COC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3CCS(=O)(=O)C3 1 0.61 4 4 0 -24.7140019462589 4020365 COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C(=N)N(C=N5)CC6=CC=CO6)OC 1 4.706 3 4 0 -6.29887813632135 4020182 C1CCN(C(C1)C(=O)NC2=CC=CC=C2N3CCOCC3)S(=O)(=O)C4=CC=CC=C4 1 2.485 3 4 0 -15.7463035560391 4020149 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CCCN3C(=O)C4=CC=CS4 1 1.218 3 6 0 -29.7432720702102 4020031 C1OC2=C(O1)C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.042 2 7 0 -16.3742479161006 4019979 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 1.667 4 6 0 -18.4373667144214 4019960 CC1=CC(=CC(=C1O)C)CN2N=C(N=N2)C3=CC=C(C=C3)Br 1 4.567 4 1 4.29951606955251 4019926 C1OC2=C(O1)C=C(C=C2)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-] 1 1.501 3 6 0 -10.0599839018048 4019793 COCCCN1C(=O)C(=CC2=CC=CC=C2OC(F)F)SC1=C(C#N)C(=O)N 1 1.964 3 4 0 -6.40091109619635 4019613 COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)OC 1 2.996 2 6 0 -8.79467025904974 4019572 C1=CC=C(C=C1)C2=CC3=NC4=CC=CC=C4N3C(=C2C#N)N 1 3.525 4 0 -3.07232594649218 4019447 CC1=CC(=C(C=C1NC(=O)CN2C(=O)C(=C(C=N2)Cl)Cl)OC)[N+](=O)[O-] 1 1.639 4 5 0 -5.40376094018542 4019272 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3C=NC4=C3N(C(=O)N(C4=O)C)C 1 0.773 6 6 0 -20.1548615096134 4019132 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C 1 2.692 1 7 0 -2.90483099660448 4019101 COCCCNC1=NC(=C(C(=N1)NCC2CCCO2)[N+](=O)[O-])N 1 -0.239 6 4 0 -8.38132772349078 4019051 CNC(=O)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2 1 1.73 3 2 0 -10.4200740106957 4019048 C1CC(C(=O)NC1)C(=O)NC2=CC=CC=C2C(F)(F)F 1 1.788 2 2 0 -14.542619288311 4018896 CC1=C(C(=NN1C(C)C(=O)C2=CC(=CC=C2)Cl)C)[N+](=O)[O-] 1 3.206 3 3 0.259901965998007 4018760 C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4Cl 1 3.896 3 3 -27.3320224958136 4018753 C1CN(CC=C1C2=CC=CC=C2)CC(C3=CC=CC=C3)O 1 3.479 1 1 -4.26173445689418 4018728 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.649 4 6 0 -12.3770463812976 4018609 C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 2.834 3 3 -13.1142116311081 4018573 COC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC)[N+](=O)[O-] 1 2.641 2 9 0 -16.0530736496466 4018541 CN1C=NC(=C1NC2=CC=C(C=C2)O)[N+](=O)[O-] 1 1.789 4 3 0 -0.104804699590022 4018537 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-] 1 2.331 4 4 0 -0.429137129197487 4018333 CCOC(=O)C1(CCN(CC1)CCC(=O)NC2=CC=C(C=C2)F)C3=CC=CC=C3 1 3.535 2 3 -4.24986064511545 4018230 CC1CC(=O)NC2=C(N1C)C=C(C=C2)[N+](=O)[O-] 1 1.318 3 3 0 -8.97789518202343 4018237 CC1=CC=CC=C1NC(=O)C2(CCCCC2)NC(=O)C3=CC(=CC=C3)N4C(SCC4=O)C5=CC=CC=C5 1 5.497 3 3 -26.3797719452921 4018268 CC(C(C1=CC=CC=C1)N2CCOCC2)NC(=S)NC3CCCCC3 1 4.332 3 1 -10.7931064495732 4018255 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 4.195 2 3 -2.76661142718909 4018222 C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O)N=C1 1 2.985 4 6 0 -5.24235177898163 4018133 CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=C(S2)C(=O)C4=CC=C(C=C4)Br)N)C 1 5.085 2 5 0 -22.0844048150137 4017972 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=CC=N2 1 1.88 5 2 0 -19.7869631423088 4017940 CNC1=NC(=NC(=N1)OCC(F)(F)F)NCCOC23CC4CC(C2)CC(C4)C3 1 3.184 5 2 0 -6.38184523978306 4017936 CC1(CC2=C(C(NC(=O)N2C)C3=CC=CC=C3Cl)C(=O)C1)C 1 2.631 2 2 -18.2581694216097 4017854 COC1=C(C=C(C=C1)NC(=O)C2CCCC2)S(=O)(=O)N3CCOCC3 1 1.408 2 5 0 -14.34509655076 4017835 COC1=CC=CC(=C1)C(=O)NNC2=C3C=CC=CC3=NC4=CC=CC=C42 1 4.143 3 2 1.84649124189071 4017774 CCC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 1 3.053 1 2 -7.4569467873012 4017767 CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCC3=CC=CC=C3 1 4.54 1 4 -14.5602077599511 4017755 CC1=NC(=C(C=C1)OCC(=O)NCC2=CC=CO2)[N+](=O)[O-] 1 1.204 3 5 0 -13.9274591693879 4017714 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NN=C(O2)C3=CC=CS3)C 1 3.103 4 4 0 -25.5374794708035 4017659 C1COC(=O)C1OC(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 1.133 1 5 0 -10.2828758055493 4017647 C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])N 1 2.382 2 3 -4.33273084632768 4017536 COC(=O)C1CCCN1C(=O)COC2=C(C=C(C=C2)Br)Cl 1 2.795 1 4 -6.68700037398978 4017430 CCC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=C(C=C2)C)C3=CC=CC=C3 1 2.729 3 3 -12.090706486579 4017415 COC1=CC=C(C=C1)C(CCNCC2=CC=CC=C2F)C3=CC=C(C=C3)F 1 5.407 1 1 -1.04541949720619 4017410 CCC1=NN=C(S1)NC(=O)C(CC)C2=CC=CC=C2 1 2.969 3 1 -13.7150020148395 4017405 CC1=C(C=C(C=C1)C(=O)OC2=CN=C(C=C2)C)[N+](=O)[O-] 1 2.774 2 4 -11.330172097281 4017356 CC1=CC=C(S1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3C(F)(F)F 1 4.216 3 1 -22.1725615479587 4017298 CN1CCN(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC 1 2.793 4 4 0 -9.25865928347518 4017169 COC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4 1 5.03 2 3 -2.18617978316401 4017166 CCOP(=O)(C(C1=CC=CC=C1)NC(=O)NC2=CC(=C(C=C2)C)Cl)OCC 1 3.891 2 4 -9.91582753321242 4017104 C1CC(=NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)CC(=O)C1 1 0.782 3 4 0 -15.656605387448 4016881 COC1=C(C=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=CN=CC=C4)N)C#N)OCC(=O)N 1 1.325 6 4 0 -19.378209716675 4016713 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)CC(=O)NC3=CC=C(C=C3)OC 1 1.326 6 3 0 -18.0869911352886 4016579 CCC(C1=NN=C(O1)SCC(=O)NC2=NOC(=C2)C)N(C)C 1 1.337 5 3 0 -24.9936410869772 4016566 COCCNC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C 1 9.8e-002 2 4 0 -21.5736667168123 4016554 CN1C(=NN=C1SCC(=O)NNC(=O)C2=CC=CC=C2)C(F)(F)F 1 1.725 5 2 0 -15.1828546147325 4016542 CCCCC(=O)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C 1 1.015 2 5 0 -12.3806376195235 4016486 CC1CC2=CC=CC=C2N1CC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F 1 4.883 2 3 -9.62842556102941 4016473 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=O)NC4=CC=CC=C43)Cl 1 1.466 3 5 0 -23.901984509424 4016399 CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCCOC 1 1.686 4 7 0 -21.578116956475 4016359 CC1=CC(=CC=C1)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC 1 4.745 2 4 -3.67968597116198 4016301 CC1=NC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)[N+](=O)[O-] 1 3.817 3 6 0 -10.4035013616867 4016276 C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)C2=CC(=CC=C2)Br 1 3.326 3 3 -7.18233463708345 4016059 C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)CNC3=CC=CC4=CC=CC=C43 1 4.812 3 2 -4.81538827949946 4016029 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCCCN3CCOCC3 1 0.828 4 5 0 -20.0781203525815 4016005 CC(C)(C)C(=O)NC1=C(C2=C(S1)CCC2)C#N 1 3.089 2 1 -24.1098114924751 4015953 COC1=CC(=C(C=C1C=NNC(=S)NCC2CCCO2)OC)OC 1 2.541 3 4 0 -15.0723932919701 4015951 C1CN(CCC1C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 3.303 2 7 0 -18.3173488345291 4015909 CC1=NC2=CC=CC=C2C(=C1)C(=O)OC3CCOC3=O 1 1.877 1 4 0 -6.98480454431218 4015890 COC(=O)C1C(CC(=CC1=O)NC2=C(C=C(C=C2)F)F)C3=CC=CC=C3 1 3.772 1 3 -4.79724785582317 4015762 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC(=C(C=C4)OC)OC)C(=O)NCC5CCCO5 1 1.931 5 5 0 -29.8465381449507 4015761 CC1CC(C(=O)O1)CC(C)C(=O)NC2=NN=CS2 1 0.842 3 3 0 -11.777581020379 4015673 CC1=CC(=CC=C1)NC(=S)NN=C2CCCCC3=CC=CC=C32 1 5.79 3 0 -8.4793285252644 4015643 CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)NC5=NCCCCC5)C 1 5.545 5 4 0 -26.2567919175827 4015575 CC1CN(C2=NC3=C(N2C1)C(=O)NC(=O)N3C)C4=CC=C(C=C4)C 1 2.17 5 2 0 -5.76750902329959 4015329 CCCOCN1C=C(C(=O)NC1=O)F 1 -0.173 2 3 0 -8.4865119197816 4015318 COC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)CN3CCN(CC3)C4=CC=C(C=C4)F 1 4.559 4 3 0 -2.55919053141863 4015283 CC(=NNC(=S)NCCOC)C1=CC=C(S1)Cl 1 2.493 3 1 -9.34744617319032 4015202 CC(C)(C)C1=CC=C(C=C1)C=NNC2=CC=CC(=C2)C(=O)O 1 4.478 2 2 1.42131981044509 4015201 CC(=NNC1=CC=C(C=C1)C(=O)O)C2=CC=C(S2)Cl 1 3.471 2 2 0.324956507276311 4014993 CCOC(=O)C1=C(C2=C(C(=C(N=C2S1)C)[N+](=O)[O-])COC)N 1 1.47 3 5 0 -7.82183057336597 4014970 C1CCCC(=NNC(=O)C(=O)NC2=CC(=CC=C2)Br)CC1 1 2.879 3 2 -8.53128475265833 4014968 CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CSC=C4)C(=O)C1)C 1 3.727 3 1 -21.0021770414236 4014963 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.793 1 3 -5.64689435258673 4014953 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F 1 2.688 3 5 0 -13.9599693117547 4014942 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C=CC(=N3)Cl)Cl 1 1.942 3 6 0 -26.6026924112371 4014926 CC1=C(C=C(C=C1)NC2C(=O)NC3=CC=CC=C3S2)Cl 1 4.204 2 1 -8.09597583689915 4014884 C1CC1N2C(=O)NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N 1 1.516 6 4 0 -21.4011669642445 4014857 CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)OC)S(=O)(=O)NC3=CC=C(C=C3)OC 1 2.615 3 6 0 -14.7947409302032 4014850 C1CN(CCN1C2=CC=CC=C2)C(=O)CCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.132 4 2 0.837534401732377 4014740 CC(C)N1C(=O)C2C(C1=O)C(NC2C3=C(C(=CC=C3)OC)O)(CCSC)C(=O)O 1 -1.712 2 6 0 -3.41016323762513 4014739 CC1=CC=CC2=C1NC(=C2CCNS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C 1 4.129 3 4 0 -0.822357359646602 4014737 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CS3)C(=O)C4=NC=CN=C4 1 3.54 4 2 -21.4611429636461 4014707 COC1=CC=CC=C1NC(=O)CCC2=NC3=CC=CC=C3S2 1 3.158 2 2 -9.41846705224279 4014636 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl 1 3.168 4 3 0 -13.0792298265755 4014580 CC(C)NC(=S)NN=C1CCCCC2=CC=CC=C21 1 4.176 3 0 -14.6713162843816 4014577 C1CCN(CC1)C(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)F 1 1.133 2 4 0 -14.903011844168 4014559 CN(C1=NS(=O)(=O)C2=CC=CC=C21)NC(=O)C3=CC=CC=C3OC 1 1.643 3 4 0 -9.6342974317992 4014512 C1CCC(=O)C(C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.375 1 6 0 -24.9795849030842 4014376 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4 1 1.498 3 5 0 -11.6900017503467 4014356 COC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CN=CC=C4 1 1.649 9 3 0 -22.3600319156133 4014354 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=NC=C(C=C4N3)Cl 1 2.261 7 3 0 -16.3651130657535 4014178 CC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)C1CCCCC1 1 0.978 3 5 0 -17.5786472215206 4014176 C1CCC(C1)(C2=CC(=CC=C2)F)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 2.687 2 5 0 -10.6902256814713 4014148 CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=NOC(=C4)C 1 5.244 3 4 0 -18.4733960379271 4014138 CCCCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC 1 2.547 2 6 0 -30.2050777577839 4014079 CC1=CC=C(C=C1)NC(=NP(=O)(N2CCOCC2)N3CCOCC3)N4CCOCC4 1 5.e-002 5 4 0 -6.99503908842212 4014018 CC1CC(CN(C1)C(=S)SCC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N)C 1 4.539 6 1 0 -10.3398382007749 4013980 CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CS3 1 1.586 2 3 0 -12.3849219272941 4013977 CCOC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C5=C(C=C4)N=CC=C5 1 4.153 2 2 -20.3726307813778 4013752 CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2F 1 3.739 1 4 -21.7192008814516 4013751 COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)NCC=C 1 2.739 2 2 -11.4954722157858 4013699 CC(=O)CC1=NSC(=N1)NC(=O)C2CC3=CC=CC=C3C(=O)O2 1 1.268 3 4 0 -7.75615778535086 4013656 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)CC3=COC4=CC(=C(C=C43)C)C 1 4.933 2 4 -22.9929198237019 4013510 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCCSC2=NN=CS2 1 2.22 6 3 0 -17.0199730997169 4013385 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)C)CNC(=O)COC3=CC=C(C=C3)C(C)C 1 4.677 5 3 0 -21.7376604194739 4013230 C1CN(CCN1C2=CC=CC=C2)C(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.673 4 2 -1.88711557857398 4013082 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)COC(=O)CN4C=NC5=CC=CC=C54 1 2.873 3 5 0 -11.1775909373775 4012977 CCNC(=S)NN=C(C)C1=CC2=CC=CC=C2O1 1 3.155 3 1 -2.99938970295419 4012995 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5 1 3.252 5 5 0 -35.1211856176037 4012930 CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C 1 4.002 3 5 0 -15.0126100265881 4012903 CC1=CC(=C(C=C1)NC(=O)C(=O)NCCC2=CNC3=CC=CC=C32)C 1 3.475 3 2 -15.5492112943308 4012877 CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N 1 0.982 4 3 0 -4.01133503316496 4012868 CC(=NNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC(=CC=C2)O 1 2.789 2 3 -0.895250598548734 4012794 C1=CC=C2C(=C1)C=CC=C2CC(=O)NNC(=O)C3=CC=C(O3)Br 1 2.777 2 3 -8.52862851373996 4012679 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)N 1 2.394 3 4 0 -14.7602429320925 4012567 CC(C)CCC1(CCOC(C1)(C)C)CCNC(=O)C2=CC=CS2 1 4.208 1 2 -12.6738057955949 4032139 CC1CCCCN1C(=S)NCC2=CC=CC=C2 1 4.071 2 0 -10.4227135011897 4032138 CC1=CC(=CC2=C1C(CC3(O2)CC(NC(=S)N3)(C)C)C4=CC(=C(C=C4)OC)OC)O 1 4.892 2 4 -5.84708765478994 4012497 COC1=NC=C(C=C1)NC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3 1 1.46 4 3 0 -14.1878736896343 4012278 CCSC1=NN=C(S1)NC(=O)CN2C(=O)C3CC=CCC3C2=O 1 0.977 4 3 0 -17.6621861816023 4012181 C1CN(CCN1CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=N4 1 0.779 5 4 0 -17.8835968710316 4012168 CC1CCN(CC1)C(=O)COC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 4.1e-002 5 5 0 -26.2195895532845 4012050 CCCNC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-] 1 2.135 3 5 0 -17.1244448346261 4012037 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC4=CC=CO4 1 3.829 2 2 1.55430086645195 4012023 CC1=C(SC=C1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.84 1 3 -10.2143263481871 4012017 CC1=NN(C=C1Br)CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O 1 0.155 8 4 0 -26.0059139106221 4011985 CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C23CC4CC(C2)CC(C4)C3)OC 1 3.587 1 5 -13.7345566177293 4011936 CC1=NN(C(=C1C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC)C3=CC=CC=C3 1 3.854 6 5 0 -1.94653431128791 4011935 CCC(C)(C(=O)NC1CCCCC1)N(CC2CCCO2)C(=O)CNC(=O)C3=CC=CC=C3 1 2.9 3 4 0 -28.8081323746811 4031867 C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=CC(=CN=C3)Br 1 3.768 1 2 -3.81437000670859 4031824 C1COCCOC2=C(C=C(C(=C2)[N+](=O)[O-])[N+](=O)[O-])OCCOCCO1 1 1.011 2 9 0 -5.10839363170861 4031802 C1=CC=C2C(=C1)N=CN2CC(=O)OCC(=O)NCCC3=CC=C(C=C3)Cl 1 2.887 3 3 -11.8692716756771 4031782 COC1=CC(=CC(=C1OC)OC)C=NNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.216 3 5 0 -7.95603308357643 4031699 CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4CCS(=O)(=O)C4 1 2.211 2 5 0 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CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CN(C)C3CCN(CC3)C 1 2.62 4 4 0 -16.3134177659817 4007964 CC(=O)C1=C(C(=O)N(C1C2=CC=CS2)C3=NN(N=N3)C)O 1 0.711 5 3 0 -18.7537127971915 4007940 CC1CN(CC(O1)C)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4 1 2.326 3 5 0 -17.3571255437473 4007932 CC(C1=CC=CC=C1)NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 2.174 2 2 -10.263703692797 4007926 C1=CC2=C3C(=C1)N(S(=O)(=O)C3=CC=C2)CC(=O)NCC4=CC=C(C=C4)Cl 1 2.909 2 3 -5.76146284942377 4007735 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)O 1 1.667 4 7 0 -25.3304775726456 4007654 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])F 1 3.595 3 5 0 -10.7847998743821 4007520 CCON1C(N(CC1=O)C(=O)OC)C2=C(C=C(C=C2)Cl)Cl 1 2.613 2 4 -5.04062332902591 4007469 CC1=C(C2=C(N1)C=CC(=C2)OC)CCN3C(=O)C4C5CC(C4C3=O)C=C5 1 2.437 2 3 -0.275008389718597 4007404 C1=CC(=CC(=C1)O)NC(=S)NC(=O)C2=CC=CO2 1 2.919 2 3 -5.39080199611518 4007389 C1CC(OC1)CNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 1.591 2 6 0 -18.9135497648966 4007383 CCOC1CC(NC(=S)N1)(C)C 1 1.732 2 1 0 -3.60209136203958 4007214 CCCC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)OC 1 2.617 5 2 0 -9.02096883393437 4007220 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.903 2 5 0 -21.2559938985088 4007250 CC1=NN=C2N(C1=O)C(CS2)CS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.688 3 3 -10.6472923282458 4007227 CC1CC(CN(C1)C(=S)NC2=CC=C(C=C2)C(=O)C)C 1 4.343 2 1 -15.5870814960461 4007174 CC(C)(C)NC(=O)CON=C1C2=CC=CC=C2C3=CC=CC=C31 1 3.02 2 2 -9.00437264606123 4007154 C1=CC(=CC(=C1)[N+](=O)[O-])NN=NC2=CC=C(C=C2)C(=O)O 1 3.108 4 4 0 4.58396736613257 4007152 CC(C(=O)N(C)C1CCCCC1)OC(=O)C2=CC3=C(C=C2)N=CS3 1 3.377 2 3 -11.2524079054944 4006941 CC(=NNC(=O)CNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C 1 4.653 3 2 -15.2609053114777 4006814 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl 1 3.114 3 4 0 -11.1888093770813 4006798 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NCCN2C(=O)CSC2=O 1 0.629 3 7 0 -31.7901984208719 4006773 CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C)C 1 3.562 1 7 0 -20.6738050292468 4006718 C1CC(=O)NC1C(=O)OCC2=CC=C(C=C2)C#N 1 0.934 2 3 0 -12.565831253702 4006479 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CC=C3 1 0.714 4 4 0 -11.3559658634237 4006429 C1C(CN(C1C(=O)OCC(=O)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)Cl)O 1 2.744 1 6 0 -11.0789927609813 4006310 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3 1 0.922 5 3 0 -31.4422264814581 4006191 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 1.841 3 3 0 -12.2393666443851 4006073 CN(C(=S)NC1CCCCC1)C2(CCCCC2=O)C3=CC=CC=C3Cl 1 6.148 2 1 -5.74252542778123 4006040 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)N4CCOCC4 1 -0.216 5 5 0 -17.6900995682529 4005955 C1=CC=[N+](C(=C1)SCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)[O-] 1 2.943 3 4 0 -8.15764651280049 4005899 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4)Cl 1 3.163 3 4 0 -18.5040069914075 4005849 CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N 1 3.699 3 1 -16.1172865164147 4005784 CC1=CC(=NO1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)OC(F)F 1 1.656 4 5 0 -13.3705322921319 4005720 CCCOC1=CC2=C(C=C1)NC(=C2)C(=O)NN=CC3=CC(=C(C(=C3)OC)OC)OC 1 4.075 3 5 0 -2.17152927616858 4005661 CC1=CCC(CC1=NNC(=O)C2=CC=CS2)C(=C)C 1 3.548 2 1 -6.67890237905528 4005536 C1CC(OC1)CNC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 2.002 2 6 0 -18.8985764228831 4005517 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.533 3 7 0 -13.8416771558254 4005485 CCC1(CC2=C(CO1)SC3=NC(=NC(=C23)NCCN(C)C)SCC)C 1 4.073 4 1 -8.38124058953148 4005439 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)SC2=NN=C3N2C=CC=C3 1 3.526 5 1 -8.14293423266529 4005418 CC1=C(C(=CC=C1)C)NC2=NC(=S)N(C23CCOC(C3)(C)C)C4=CC=CC=C4 1 5.444 3 1 -6.29187006794633 4005411 CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 4.122 1 3 -13.4467563275332 4005216 C1CCN(CC1)CCOC(=O)CC23CC4CC(C2)CC(C4)(C3)Br 1 3.8 1 2 -2.69277330957808 4005219 CC1=C(C=CC(=C1)Cl)OCCOC2C(C(C(C(O2)CO)O)O)NC(=O)C 1 0.409 1 7 0 -15.3900053720273 4005240 CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3 1 1.254 3 6 0 -28.782398491045 4005140 CC1CCCC2(C1)NC3=C(C4=C(S3)CCCC4)C(=S)N2 1 4.67 2 0 -8.19521911103459 4005131 CCN(CC)C(=S)SCC(=O)NC1=NC=C2C(=N1)CC(CC2=O)(C)C 1 3.267 4 2 -21.3717198118357 4005118 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC)S(=O)(=O)NC3=CC=C(C=C3)OC 1 2.888 2 8 0 -7.7622911291289 4005106 CC(C)CC(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)N 1 1.284 3 4 0 -16.7019232937611 4005002 CC(C(=O)NC1=CC=CC(=C1)C(=O)C)N2CCC3=CC=CC=C3C2 1 2.838 2 2 -14.1751539238489 4004898 C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)NNC(=O)C45CC6CC(C4)CC(C6)C5 1 1.791 6 3 0 -4.38353023935514 4004860 CCCCNC1=NC(=NC(=N1)N2C=CN=C2)C3=CC=CC=C3 1 2.942 6 0 2.27625871276473 4004841 COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCS(=O)(=O)C4 1 2.364 3 5 0 -30.2514439637837 4004831 COC1=C(C=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=CC4=CC=CC=C4C=C3O)C5=CC=CS5)OC 1 4.71 2 6 0 -9.86033431632687 4004788 C1=CC=C(C=C1)CC2=NN=C(O2)SCC3=CC=CC=C3C#N 1 3.709 3 1 -16.6894887158427 4004713 CC1=NC(=C2C3=C(CCC3)SC2=N1)NC(C)C4=CC=CC=C4 1 4.303 3 0 -7.70293676829733 4004544 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3 1 0.417 4 5 0 -12.9585270653563 4004588 C1CC2CC1CC2CC(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 2.174 2 6 0 -16.2988364302078 4004542 CCC(C)NC(=O)CN1C(=O)C2(CCC3=CC=CC=C3C2)NC1=O 1 1.889 3 3 0 -14.6197702866778 4004519 CC1CCCC(C1C)NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 2.642 2 2 -9.38117648643941 4004290 CCOC(=O)CC1=NC2=CC=CC=C2O1 1 2.001 1 3 -4.42745401630055 4004288 CC1=C(C=CC(=C1)NC(=O)C)OC 1 1.42 1 2 0 -3.75541737443779 4004284 CC(C)CCNC(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F 1 1.9 3 6 0 -26.2985235994196 4004281 C1=CC(=CC=C1C(=O)O)NN=CC2=CC(=CS2)Br 1 3.78 2 2 2.61042993119951 4004280 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2CC(CN2S(=O)(=O)C3=CC=C(C=C3)Cl)O)N 1 -0.619 4 8 0 -19.9928691588154 4004272 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)SC2=CC3=C(C=C2)OCCO3 1 3.995 2 3 -2.45451935686512 4004231 CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=S)NC3=C(C=CC(=C3)C)C 1 5.835 3 1 -10.190027958445 4004060 CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4C)[N+](=O)[O-])OC 1 5.544 4 5 0 -14.8064431425501 4004019 CC1=NN(C(=C1)NC(=O)C2CCCCC2)C3=NC4=CC=CC=C4N3 1 3.767 5 1 -1.91459936558782 4003989 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54 1 4.658 3 4 0 -11.0494646744318 4003988 CC(C)(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2N1CCOC 1 2.275 4 3 0 -21.723133968456 4003902 COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 3.112 3 5 0 -28.417985477071 4003769 C1CN(CC2=CC=CC=C21)CC3=CC(=O)N4C=CSC4=N3 1 1.843 3 1 0 -14.8598942802444 4003743 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C4=CC=CC=C4[N+](=O)[O-] 1 3.626 3 4 0 -21.1410558909935 4003720 COC1=CC=C(C=C1)N2C(=O)C(NC2=S)CC3=CC=CC=C3 1 3.739 2 2 -3.22184259878515 4003717 CC1=CC=C(C=C1)NC2=NC(=CS2)CSC3=NN=C(N3C4=CC=CC=C4C)C5=CC=NC=C5 1 5.515 6 0 -0.8884596506764 4003665 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=COCCO2 1 1.102 2 7 0 -12.0632542498954 4003663 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4 1 2.008 3 4 0 -26.7910828538544 4003655 C1CC2CC1CC2CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.5 2 4 2.05396496414926 4003637 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CC4=C(C=C3)OCCO4 1 3.204 2 7 0 -13.3768654904319 4003533 CC1(CC2(CCO1)C(=NC(=S)N2CC(=O)N)NC3=CC=CC=C3)C 1 1.653 4 2 0 -8.63902469290318 4003512 CC(C)CC(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl 1 2.232 1 6 0 -18.5486981334433 4003465 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3 1 2.609 3 5 0 -9.35440054665289 4003440 COC1=CC=C(C=C1)C2=NN(C=C2C=NNC3=CC=CC=N3)C4=CC=CC=C4 1 4.994 5 1 14.3353386250345 4003405 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.31 4 8 0 -31.2506341909693 4003359 CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)C(C)OC(=O)C3=NNC(=O)CC3 1 3.089 3 5 0 -17.2223194057313 4003258 C1COCCN1CCCN2C(=O)C3=CC=CC=C3N=C2SCCCCN4C(=O)C5=CC=CC=C5C4=O 1 3.448 4 4 0 -18.0896018858378 4003031 COC1=C(C(=C(C=C1)C=NNC2=NC(=NC(=N2)N3CCCC3)N4CCCC4)OC)OC 1 2.447 7 3 0 -2.3311128931472 4003023 CCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)C 1 1.242 5 4 0 -21.9510371102045 4002999 CCOC(=O)C1C(CC(=CC1=O)NC2=CC=CC=C2F)C3=CC=CC=C3 1 3.915 1 3 -8.91287138529056 4002985 CCN1C(=NN=C1SCC(=O)N)CSC2=NC3=CC=CC=C3S2 1 2.63 5 1 -14.687838765997 4002945 CC(=O)NC1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC4=C3C(=CC=C4)N2 1 1.493 4 3 0 -13.8461273055211 4002943 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 4.422 2 5 0 -4.74495583253384 4002886 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 1.441 5 2 0 -10.9423666702441 4002880 CC(=O)C1=C(NC(=NC1=S)C2=CC=CC=C2)N3CCN(CC3)C 1 2.212 4 1 -1.71638650375644 4002873 CN(C)C1=CC=C(C=C1)C=NN(CCO)C2=NS(=O)(=O)C3=CC=CC=C32 1 2.094 4 3 0 -3.50534452161262 4002870 CC(=NNC1=CC=CC=C1[N+](=O)[O-])C2=CC=C(C=C2)N3CCOCC3 1 3.173 4 3 0 -5.53719732250465 4002623 CC1=C(C(=O)N2C(=N1)N=CN2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C 1 0.675 5 3 0 -5.62252232593592 4002621 C1CN(CCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)F)C(=O)C4=CC=CO4 1 2.213 3 5 0 -6.02215987066655 4002580 C1CC(OC1)CN2C(=NN=C2SCC(=O)NC(=O)N)C3=CC=C(C=C3)Cl 1 2.065 5 3 0 -17.8318909569042 4002547 CCCCC(=NNC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C 1 4.742 4 1 0.86002629293791 4002431 C1=CC2=C(C(=C(C=C2)C(C3=CC=C(C=C3)C(F)(F)F)NC4=NC=CS4)O)N=C1 1 4.245 3 1 4.37223554727046 4002395 CCC1=CC=C(C=C1)N=CC23C4C(C(C5=CC=CC=C52)C6=CC=CC=C36)C(=O)N(C4=O)C7=CC=C(C=C7)OC 1 5.934 2 3 -0.221228864303897 4002335 CC1=CC(=C(C=C1NC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)OC)OC)[N+](=O)[O-] 1 1.729 3 8 0 -19.9820901299017 4002206 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N(C)C4=CC=CC=C4 1 5.868 2 6 0 -23.777386628079 4002152 COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)NS(=O)(=O)C 1 3.294 3 5 0 -14.772026567345 4002120 CC1=CC(=NO1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)Cl 1 1.515 4 4 0 -13.5394774259503 4002085 CN(C)C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CNC5=CC=CC=C54 1 5.361 3 2 -5.99135053352479 4002073 COC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NC=CS4 1 2.204 3 4 0 -15.1768546225277 4002072 CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC(=O)C3=COCCO3 1 1.418 2 7 0 -23.4819586227022 4001993 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2)C3=CC=CC=C3F 1 2.447 3 3 -22.1885906298779 4001929 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCCN(C)C)C 1 1.652 2 3 0 -10.4316155395361 4001927 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C=NNC3=CC=CC=C3[N+](=O)[O-] 1 4.403 4 2 2.67985440639561 4001916 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.477 3 3 -8.38859394997039 4001854 CC(C(=O)OC)N(C1=CC=CC=C1)C(=O)COC 1 1.084 1 4 0 -11.0464503641974 4001842 CC1=CC2=C(C=C1)NC(=C2CCNC(=O)C3CCCCC3C(=O)OCC(F)(F)F)C 1 4.747 2 3 -6.02287616721686 4001839 CC1(CC2=C(C=CC(=C2C(=O)N1)OC)OC)C 1 1.662 1 3 0 -7.08941147357854 4001822 COC(=O)C1=CC=C(C=C1)C=NNC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4 1 3.264 7 2 0 -6.33050292677338 4001738 CCCCCCCCS(=O)C1=C(C2=CC3=C(CCCC3)N=C2S1)N 1 5.221 2 1 -4.73862959126377 4001711 CCC(C)NC(=O)CN1C2=CC=CC=C2N=C1COC3=C(C=C(C=C3)Cl)Cl 1 4.95 3 2 -12.2534600147988 4001602 CCOCCCNC(=O)C(C1=CC=C(C=C1)C)N(CC2=CC=CS2)C(=O)CNC(=O)C 1 1.508 3 4 0 -19.1122304751328 4001542 CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=O)C(NC2=O)(C)C)S(=O)(=O)N3CCOCC3 1 -0.524 4 8 0 -27.003556226029 4001534 C1CC(OC1)CN2C(=O)CC3=C2N=C(C4=C(N=C(C(=C34)C#N)N(CCO)CCO)N)N 1 -1.004 7 4 0 -14.5317399520189 4001498 CC1CC(=O)N(C(=O)C1)C2=CC=C(C=C2)C(C)C 1 2.892 1 2 -3.2188816636433 4001428 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F 1 3.571 3 2 -10.9305596448489 4001143 C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3C(=O)C(NC3=O)CC4=CC=CC=C4 1 1.437 4 4 0 -15.051753697735 4001122 CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 1.044 5 5 0 -23.4721074949844 4001093 C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.987 2 7 0 -16.3776715264257 4001028 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C(=O)C4CC=CCC4C3=O)C 1 2.302 3 3 -1.66661199202762 4000951 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)F)N 1 3.697 5 3 0 -14.0671543935631 4000931 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(ON=C3C4=CC=CC=C4)C)C 1 3.347 3 4 0 -20.4037485575179 4000927 C=CCN1C(=NN=C1SCC(=O)NC2CCS(=O)(=O)C2)COC3=CC=C(C=C3)F 1 1.633 4 4 0 -26.6267261966246 4000895 C1=CC=C(C=C1)C(C(=O)NC2=CC(=CC(=C2)Cl)Cl)NCCO 1 2.928 2 2 -6.63530318771214 4000881 CC(C)CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)N 1 3.076 3 3 -12.0070904359186 4000797 CN(CCC#N)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N(C)C2=CC=CC=C2 1 2.287 3 5 0 -21.2113934984893 4000672 CC1=C(SC2=C1C(=NC(=N2)C)SC(C)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O 1 4.619 3 3 -12.2796885328301 4000608 CC1=CC(=NN1)C(=O)NNC(=O)COC2=CC=CC=C2Cl 1 1.389 4 3 0 -10.7041600701669 4000567 CC1=NC(=C(C=C1)OCC(=O)N2CCC3=CC=CC=C32)[N+](=O)[O-] 1 2.296 3 4 0 -12.8299961417467 4000528 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-] 1 2.693 5 6 0 -14.1080269265153 4000525 COC1=NC(=NC(=N1)NCC2CCCO2)N3CC4CC(C3)C5=CC=CC(=O)N5C4 1 0.608 6 3 0 -10.4256140290877 4000480 C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N(C(=O)N3)CC4=CC=C(C=C4)CN5C(=O)C(NC5=O)CC6=CNC7=CC=CC=C76 1 4.095 6 4 0 -2.70484986342466 4000327 C1=CC=C2C(=C1)N=CN2CC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 0.6 4 5 0 -16.3403895981078 4000241 CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-] 1 4.957 2 6 0 -10.9728284630329 4000021 CC(=NNC1=NC=C(C=C1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.799 4 3 0 -3.98228664463589 3999936 CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)C#N 1 3.202 4 2 -5.39192488270549 3999902 CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C)C2=CC=CC=C2 1 1.905 3 3 0 -15.1347862654868 3999899 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NNC(=N2)C3=CC=CS3 1 1.653 4 3 0 -19.1829846766698 3999892 CC1CCCC(N1N=CC2=CC=CC=C2F)C 1 3.441 2 0 -0.26398656050947 3999859 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CS3 1 2.288 5 2 0 -11.4985106987807 3999826 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(S2)Br)Br 1 1.728 1 5 0 -18.9721589983119 3999809 CC1=C(C(=NN1CC(=O)NC(C)C2CC3CCC2C3)[N+](=O)[O-])Cl 1 3.025 4 3 0 -11.7729715109019 3999744 COC1=CC=C(C=C1)CNC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4 1 3.059 2 4 -10.2565833406801 3999689 CCCCCN1C2=CC=CC=C2N=C1CCCNC(=O)C3=CC=CS3 1 4.844 3 1 -12.036010956471 3999638 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NC23CC4CC(C2)CC(C4)C3 1 4.258 3 2 -14.01159005113 3999575 CC(=O)C1=CC=C(C=C1)OCC2=CC(=O)N3C=C(C=CC3=N2)Br 1 1.75 2 3 0 -13.1318049411466 3999553 C1=CC=C(C=C1)NN=C(CC2=NC3=CC=CC=C3N2)C4=CC(=CC=C4)Cl 1 5.715 4 0 3.36717953845936 3999550 C1=CC=C2C(=C1)NC(=N2)C(C(C3=CC=C(C=C3)Cl)O)O 1 2.806 2 2 3.33333238716142 3999453 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=CC3=C(N=C(S3)N4CCOCC4)C5=CC=CC=C5)C 1 5.268 6 5 0 0.49372349239291 3999418 CC1=NC(=C(C=C1)OCC(=O)C2=CNC3=CC=CC=C32)[N+](=O)[O-] 1 2.928 3 4 0 -2.66816835479034 3999365 C1CC(OC1)CNC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=C(O4)Br)C(F)(F)F 1 4.127 4 3 0 -16.6159790187892 3999276 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3(CCCC3)NC2=O)S(=O)(=O)N4CCCCC4 1 1.674 4 5 0 -19.1216647239148 3999252 COC1=CC=CC=C1C(=O)NC2=NN=C(S2)CCC3=CC=CC=C3 1 3.488 3 2 -13.4239978054272 3999223 CC(C(=O)NN=C1CCCC1)N(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 1.388 3 4 0 -11.4958931109768 3999168 CCCCNC(=S)NNC(=O)C1=C(N=C2N1C=CC=C2)C 1 2.2 5 1 -12.9797345994715 3999131 COC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(N2)C=CC=N3)OC 1 2.697 3 3 -7.9300545263261 3999056 CCC(C)(C(=O)NC1CCCCC1)N(C2=CC=CC=C2)C(=O)CC3=CC=CS3 1 5.046 2 2 -17.9339070577936 3999001 CC1=CC(=C(C=C1)OC)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3 1 3.303 3 2 -2.5747759676048 3998971 CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 2.146 3 5 0 -21.2946881202464 3998917 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=C(C=CC=C4Cl)Cl 1 4.849 4 2 -19.2269978500172 3998916 COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3CCS(=O)(=O)C3 1 0.61 4 4 0 -20.8663319854228 3998829 C1COCCN1CC(=O)NN=CC2=CC=CC=C2 1 0.712 3 2 0 -7.64985108826562 3998590 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC2=CC=CC=C2F 1 3.46 0 5 -8.71812649649159 3998520 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C 1 3.421 3 4 0 -31.6990666067559 3998505 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=CC=C3)Cl)[N+](=O)[O-] 1 3.815 3 4 0 -12.9398365827033 3998469 CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C 1 2.789 2 5 0 -16.2031647157652 3998468 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCCO 1 1.154 5 4 0 -7.41608212705096 3998437 CC1=C(SC(=C1C(=O)OCCOC)NC(=O)CNC2CCCC3=CC=CC=C23)C(=O)N 1 2.31 3 5 0 -15.9488926621599 3998366 COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.168 2 4 -16.8336744224498 3998353 CC1=CC(=NC2=NC(=NN12)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C 1 0.496 6 4 0 -25.5139583074607 3998345 CC1=CC(=C(C=C1C(=O)COC(=O)C2=C(ON=C2C)C)C)C 1 3.282 1 4 -10.4641647572481 3998308 CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NCC3=CC4=C(C=C3)OCO4)O 1 1.35 2 6 0 -14.9038338992639 3998269 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CCOC 1 2.257 4 4 0 -21.9012745941961 3998242 C1C=CCC2C1C(=O)N(C2=O)CC(=O)NC3=NC4=CC=CC=C4S3 1 1.696 3 3 0 -4.69675753623784 3998197 CN(CC1=CC=C(C=C1)Br)CC(COC2=CC(=CC=C2)Br)O 1 4.521 1 2 2.44525672949975 3998145 CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C4=CC=CO4 1 2.528 3 4 0 -12.6874302174494 3998130 CN1C2=CC=CC=C2N=C1SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F 1 5.195 3 1 -7.44413819524758 3998020 CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2 1 1.838 2 5 0 -17.9676092410236 3997980 C1CN(CCC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)CC4=CC=CC=C4 1 4.826 3 3 -3.20893496888232 3997860 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=C(C=C3)C#N 1 2.158 4 4 0 -19.8052430108791 3997731 C1COCCN1C2=CC=CC=C2NC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CO5 1 2.919 3 4 0 -8.75428306672617 3997694 CC1=C(N=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 2.086 3 4 0 -6.38514864544122 3997693 CC1=CC(=NC=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 2.086 3 4 0 -5.92661915179066 3997674 C1CCC(CC1)NC(=O)C2(CCCCC2)NC(=O)CNC(=O)C3=CC=CC=C3 1 2.943 3 3 -20.6580546805502 3997610 CC(=NNC(=O)C1=CC=C(C=C1)Cl)CC2=CC=C(C=C2)OC 1 3.337 2 2 -5.10534677753829 3997541 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)NC2=CC=C(C=C2)C 1 2.761 3 2 -6.34641624970308 3997490 C1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=C(C=C3)F)CCC4=CC=CC=N4 1 4.21 4 2 -10.6956719172161 3997484 CC(C)(C)NC(=O)NC(=O)CSC1=C(C=C(C=N1)C(F)(F)F)Cl 1 3.138 3 2 -10.9388213939765 3997420 C1=CC=C(C=C1)C=NNC2=CC=CC(=C2)C(F)(F)F 1 4.391 2 0 6.16405893327086 3997407 CC1=NC(=C(C=C1)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-] 1 2.049 4 6 0 -21.3703616828154 3997405 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCC3CCCC3)N4CCOCC4 1 3.643 3 5 0 -14.5829064262216 3997371 CC1CCCC(C1C)NC(=O)CON=CC2=CC=C(C=C2)C(=O)OC 1 3.04 2 4 -8.92791518487878 3997308 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)NC4=CC=CC=C4OC(F)F 1 2.7 3 4 0 -7.73205589729598 3997306 C=CCNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.561 4 2 -8.29509530988703 3997242 CCC1C(=O)NC(=NC1=O)SCC(=O)NC2=NC3=CC=CC=C3S2 1 2.599 4 3 0 -16.248321813593 3997187 CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CC)C3CCS(=O)(=O)C3 1 2.642 4 3 0 -16.1493296901692 3997085 CC1=CC(=C(C(=C1)C)NC(=O)CON=C(C)C2=CC3=C(C=C2)OCCO3)C 1 3.557 2 4 -9.02970983326054 3997053 COC1=CC2=C(C=C1)OC(=NNC(=O)C3=CC=CS3)C(=C2)C(=O)N 1 1.893 3 4 0 -6.28099984687802 3997045 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.088 2 4 -18.9724022870509 3997019 CCCCNC(=S)NN=CC1=CCC2CC1C2(C)C 1 4.009 3 0 -4.89308571142701 3996861 CCCCOC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCCCCC4 1 3.844 9 3 0 -26.4311707691131 3996794 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3CCCC3=O)S(=O)(=O)N4CCCCC4 1 2.716 3 4 0 -26.8050530215545 3996750 C1COC(=CO1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)F 1 1.874 3 3 0 -15.7661004933639 3996696 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 1 4.405 4 4 0 -32.1223059654811 3996671 CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1 1 3.764 4 2 -14.9621681236757 3996616 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42 1 5.3 1 3 -11.2881580671195 3996597 CC(C)CNC(=O)NC(=O)COC1=CC=C(C=C1)C=O 1 1.604 2 4 0 -11.4861916098224 3996558 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl 1 3.441 2 5 0 -19.1587339849196 3996513 CC1C(=[N+](C(N1O)(C)C)[O-])C2=CC=C(C=C2)OC 1 0.698 2 3 0 2.909921198105 3996443 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)COC2=CC=CC=C2C#N)N 1 -4.4e-002 4 6 0 -19.6164602497309 3996271 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C 1 3.28 3 4 0 -31.7124989950134 3996184 CC(=O)C1=CC=C(C=C1)OCCCC(=O)NC2CCCC3=CC=CC=C23 1 3.782 1 3 -13.1772552588002 3996141 CCOC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2CCN(CC2)CC3=CC=CC=C3 1 0.279 2 4 0 -5.16930450149296 3996049 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3CC4CC3C=C4 1 2.535 2 5 0 -18.0452506350527 3996045 CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)N(C)C4CCS(=O)(=O)C4 1 3.742 2 5 0 -9.13762772307393 3996044 C1CC(OC1)CN2C(=NN=C2SCC(=O)NC3CCS(=O)(=O)C3)C4=CC=C(C=C4)Cl 1 1.999 4 4 0 -27.2601633752897 3995856 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=S)NC2=CC=CC(=C2C)C 1 5.137 3 3 -15.4108004950706 3995828 C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)NCCC3=CC=C(C=C3)Cl 1 3.23 2 2 -18.3005601893501 3995807 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=NC(=O)C=C(N3)N 1 1.893 4 2 0 -18.0262039568511 3995796 CC1=C(SC2=NC=NC(=C12)OCC(=O)NC3CCS(=O)(=O)C3)C 1 0.834 3 4 0 -14.9553795254219 3995786 C1=CC=C(C=C1)CCNC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.336 2 4 -9.86351903721095 3995749 COC1=CC(=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NC3=CC=CC=C3)OC 1 2.869 3 4 0 -14.4438994190059 3995658 CC1CCCN(C1)C2=C(C(=NC(=N2)N(C)C3=CC=CC=C3)N)[N+](=O)[O-] 1 3.315 6 2 0 -0.155021845355683 3995585 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=NNC4=CC=CC=C43 1 2.963 3 4 0 -25.8973402042871 3995448 CC1=CC(=NC2=CC=CC=C12)NN=C(C)CCC(C)C 1 4.16 3 0 3.8803878104257 3995346 CCCCOC1=CC=CC=C1C=NNC(=O)CC#N 1 2.39 3 2 -10.9875728774002 3995203 C1CSC(=N1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br 1 3.161 2 1 -12.8126250502501 3995185 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCCOC3=CC=CC=C3F 1 2.533 1 6 0 -20.9927031766528 3995045 CCOC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC=CO2 1 2.333 1 5 -9.74855425967192 3995011 COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=N)N(C=N4)CC5=CC=CC=C5)OC 1 4.373 3 4 0 -4.33092629642592 3994853 CC(C)OC1=NC=NC2=C1NC3=CC=CC=C32 1 3.222 3 1 0.451080298097984 3994728 CC1=C(C=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NCC3CCCO3)Cl 1 2.835 3 3 -14.0679610768855 3994703 C1CC(OC1)CNC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.8 2 2 -17.3635325013259 3994611 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C(C3=CC=C(C=C3)Cl)C(C)C 1 3.284 3 4 0 -16.6123740163828 3994543 C1=CC(=CN=C1)NC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.701 3 1 -2.06744669273687 3994494 C1=COC(=C1)C(CCNCC2=CC=CS2)C3=CC=C(C=C3)F 1 4.142 1 1 -4.68300083269471 3994473 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)ON=C(C2=CN=CC=C2)N 1 1.13 4 4 0 -4.21522091757276 3994437 CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)F)N)C#N)C4=CC=CS4)C(=O)C1)C 1 4.014 3 1 -20.6108051418857 3994377 COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4CCS(=O)(=O)C4 1 2.864 4 4 0 -26.1186639474814 3994354 COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC5=C(C=C4)OCO5 1 3.128 2 6 0 -15.2505136768506 3994336 CC(CC1=CC=CS1)NC(=S)NC2=CC=CC=C2 1 4.461 2 0 -10.6115603236994 3994334 CC(CC1=CC=CS1)NC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 5.79 2 0 -8.73742326558781 3994333 CC(CC1=CC=CS1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 4.224 2 1 -7.20350572088235 3994289 CC1=CC=CC=C1NC2=NN=C(S2)SCC3=C(C=CC(=C3)C(=O)C)OC 1 4.093 3 2 -13.6104697935707 3994259 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)CC3=CC=CC=C3)Cl 1 2.872 3 3 -7.37516965898429 3994162 C1CC(=O)NN=C1C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br 1 2.374 4 6 0 -29.6758215104775 3994136 CC1=C(C(=CC=C1)NC2=NN=C(CS2)C3=CC=CC=C3F)C 1 4.902 3 0 2.10711487176368 3994118 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=O)NC4=CC=CC=C43 1 1.575 3 4 0 -23.5385236241693 3994108 CC1=C(C(NC(=O)N1)C2=CC=C(S2)Br)C(=O)OCC(C)C 1 2.671 2 3 -26.9315210333781 3994085 CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3 1 1.245 7 1 0 -22.4701615470411 3994068 COC1=CC=CC=C1OCC(=O)NC2CCCC3=CC=CC=C23 1 3.456 1 3 -10.9625542880851 3994015 CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCNC(=O)C3CC(=O)OC 1 1.663 4 5 0 -40.8380911065864 3994012 COC(=O)CC1C(=O)NCCN1C(=O)CSC2=NC3=CC=CC=C3O2 1 0.673 3 5 0 -28.532328229894 3994011 COC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC=C2F)F 1 0.624 2 4 0 -26.8177921794162 3993949 CC1=CC=C(C=C1)N2C(=CC(=C2C)C3=NN=C(SC3)NCC(=C)C)C 1 4.864 4 0 -7.20548185898338 3993913 C1CCC(CC1)(C(=O)NC2CCCC2)NC(=O)CC3=CNC4=CC=CC=C43 1 3.756 3 2 -15.8428295029913 3993912 COC1=C(C=C(C=C1)NC(=O)C2=CC(=O)NC(=O)N2)S(=O)(=O)NC3=CC=CC=C3Cl 1 1.138 4 6 0 -14.979434584737 3993867 CC(C)C(C(=O)NC1CCCCC1)NC(=O)N 1 1.409 3 2 0 -16.427711758965 3993685 C1CC2CC1CC2CNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.5 2 4 0.98374041271107 3993391 COC1=C(C=C(C=C1)CCNC(=O)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])OC 1 2.14 3 6 0 -19.3072607697646 3993338 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)N 1 1.685 3 6 0 -15.7377418001463 3993176 CCN1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC(=CC=C3)OC)N)[N+](=O)[O-] 1 2.163 7 3 0 1.89969037267818 3993135 COC1=CC=CC(=C1)CNC(=O)CCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.291 3 5 0 -17.8940824934475 3993080 CN(C)C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC(=C(C=C2)F)F)C3=CNC4=CC=CC=C43 1 4.864 3 2 -6.92761349624539 3992902 CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=CC2=O)S(=O)(=O)N(C)C 1 1.2 4 4 0 -13.5180197602961 3992853 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)N4CCOCC4 1 1.398 2 8 0 -26.4170745285221 3992780 CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N(C)C 1 4.535 2 4 -20.5552685518727 3992757 CC1=NC(=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-] 1 1.229 4 6 0 -23.6001791311873 3992742 CC1=CC=C(C=C1)CN2C(=CC3=C(C2=O)C(C(=C(O3)N)C#N)C4=CC=CS4)C 1 2.904 3 2 -12.1247589163877 3992720 CC(C(=O)NC1CCCC1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.419 2 7 0 -28.12422658368 3992711 CC(C(=O)NC1CCCC1)SC2=CC=C(C=C2)NC(=O)C 1 2.438 2 2 -10.5888167033557 3992657 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C=NC4=CC=CC=C4C3=O 1 1.61 4 5 0 -25.3265012701138 3992653 CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-])[N+](=O)[O-] 1 3.714 4 7 0 -16.0997384096693 3992553 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=NS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F)Cl 1 5.367 3 5 0 -11.9260372391565 3992501 CC1=C(C(NC(=S)N1)C2=CC=C(O2)C3=CC=CC=C3C(=O)OC)C(=O)OC 1 3.306 2 5 0 -24.9097869551572 3992301 CCC(C1=CC=CC=C1)C(=O)NC(CC(=O)O)C2=CC=C(C=C2)Cl 1 3.997 1 3 -9.23263441565126 3992174 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CNC(=O)C3=CC=CC=C3 1 0.393 3 5 0 -21.9853580883585 3992156 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC(=C(C(=C3)OC)C)OC 1 3.344 1 6 0 -21.1330979029877 3992086 CCN1C(=NN=C1SCC(=O)NCC2CCCO2)C3=CC=CC=C3 1 2.175 4 2 -19.5072049811271 3991983 CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)O 1 2.876 3 5 0 -16.0029295528631 3991922 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.227 5 4 0 -31.4753365694388 3991779 COC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4 1 3.052 2 4 -7.10204540405909 3991465 C1CCC(C(C1)NC2=CC=CC=C2C(=O)O)NS(=O)(=O)C3=CC=CC=C3 1 3.259 2 4 -10.5792690550626 3991493 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC(=O)NC)C)C 1 1.683 3 6 0 -27.3579880351834 3991444 CC1=CC(=CC(=C1)NC(=O)CON=C(C)C2=CC3=C(C=C2)OCCO3)C 1 3.07 2 4 -8.19335828891697 3991439 CC(C1=CC=CC=C1)NC2=C3C=CSC3=NC=N2 1 3.421 3 0 -3.00148931313725 3991385 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)C4CC4 1 1.462 5 2 0 -11.0441375874371 3991362 CC1=C(C2=CC=CC=C2N1)C(C3=CC=NC=C3)N4CCN(CC4)C5=CC=C(C=C5)F 1 4.639 4 0 1.41427081579471 3991315 COC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5CCS(=O)(=O)C5 1 3.278 2 6 0 -14.1427494850933 3991302 CC(C)CN1C2=C(C(=O)CC(C2)(C)C)C(C1=O)(C(F)(F)F)NC(=O)C3CC3 1 2.473 2 3 -17.6409044109779 3991287 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC(F)F 1 3.686 2 6 0 -13.4282474793339 3991163 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CC2=CC=C(C=C2)F)N 1 0.482 3 5 0 -15.9399574665121 3991096 C1=CC(=C(N=C1)[N+](=O)[O-])OCC(=O)NCCC2=C(C=C(C=C2)Cl)Cl 1 3.389 3 4 0 -10.0100621928738 3991030 CC1=NN=C(N1N)NN=CC2=CC(=CC=C2)C(F)(F)F 1 1.428 6 0 0 -2.72881662780253 3991022 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=C(S3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5 1 5.288 3 4 0 -17.4125748102901 3991012 C1COCCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N 1 1.238 4 3 0 -6.24943857998554 3990913 C1=CC(=CC=C1NN=C(CCC(=O)O)C(=O)O)[N+](=O)[O-] 1 1.27 3 6 0 -6.1752158396535 3990887 CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC(=CC=C3)Cl)C(=O)CCC2 1 1.912 4 1 0 -18.2978058607607 3990865 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NC(=O)N)C 1 1.364 3 6 0 -18.4966470159165 3990685 CC1=NC(=C(C(=C1)COC)C#N)NN=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl 1 4.302 4 4 0 -4.55578773319118 3990635 CC1CC(=NNC(=O)C2=C(OC(=C2)C)C)CC(C1)(C)C 1 2.513 2 2 -12.184671431653 3990632 CSC1=NN=C(N1CC=C)C2COC3=CC=CC=C3O2 1 2.798 3 2 -4.89474282662509 3990619 CC1=C(C(=NN1CC(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])Br 1 3.173 5 3 0 -12.2725749296591 3990529 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)COC(=O)CNC(=O)C2=CC=CO2 1 1.284 2 8 0 -23.4606633996152 3990512 CCC1(C2C(C(N1)C3=CC=CC=C3O)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O 1 -0.642 2 5 0 1.24046117315707e-002 3990501 CC(C)CN1C2=CC=CC=C2N=C1CCCNC(=O)C3=CC=C(C=C3)F 1 4.503 3 1 -11.1780856037116 3990423 CCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)C4CCCO4 1 3.416 4 2 -13.1700423493507 3990422 CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CC4=CC=CC=C43 1 3.184 8 2 0 -21.4465629998619 3990421 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=CC2CCCCC2 1 4.553 2 2 -4.88620940323547 3990384 CC1=CC(=CC=C1)NC2=NN=C(S2)SCC3=CN4C=CC=CC4=N3 1 3.325 5 0 -5.59568917805775 3990198 CC(C(=O)NCC1=CC=CC=C1Cl)N2C(=O)C3=CC=CC=C3C2=O 1 2.654 2 3 -15.9411275986558 3990126 CCC1=CC=C(C=C1)C2C3=C(NC(N(C3=O)C4=CC=CC=C4OC)C5=CC=C(C=C5)CC)NC(=S)N2 1 6.657 4 2 -17.8672089008115 3990030 CC1=CC=C(C=C1)C(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 1 2.561 1 3 -14.2249411019863 3989825 CCOC1=CC=C(C=C1)C(=O)CC(C(=O)O)NCC2=CC=CS2 1 -0.144 1 4 0 -9.15355229898718 3989799 CCCCNC(=O)N(C1C(SC(=S)N1N=CC2=CC=CO2)(C)C)O 1 3.974 4 3 0 -8.64717927661072 3989718 C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)NCC3=CC=CC=C3 1 4.993 2 2 -20.5561235556803 3989478 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCS(=O)(=O)C4 1 2.866 3 4 0 -30.4275386290721 3989487 CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 1.637 4 5 0 -19.3916699903746 3989523 CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)NC3=CC=C(C=C3)F)[N+](=O)[O-])N 1 3.035 6 2 0 3.50139845348775 3989418 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3CCS(=O)(=O)C3 1 0.895 4 3 0 -26.6707554317022 3989415 C1COCCN1C(=S)SCC(=O)NC2=NC=C3C(=N2)CC(CC3=O)C4=CC=CO4 1 2.268 4 4 0 -27.052316415656 3989255 CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC=C)OC)C(=O)C3=CC=CC=C3 1 4.485 2 3 -32.6801510736666 3989197 C1=CC=C(C=C1)C(=O)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4 1 4.888 7 3 0 -13.9793073563131 3989190 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC2=CC=C(C=C2)C3=NN=CO3 1 1.352 4 5 0 -12.4267756686209 3989179 C1CCC(CC1)NC2=NN=C(CS2)C3=CC=CS3 1 3.959 3 0 -5.23442081040835 3989178 C1CN2C(N(C(=O)N2C1)C3=CC(=CC=C3)Cl)C4=CN=CC=C4 1 2.068 4 1 -1.18791088202522 3989113 COC1=CC=C(C=C1)C2(CC(NC(=S)N2)C3=CC=CC=C3Cl)C4=C(C=C(C=C4)O)O 1 5.366 2 3 2.32397866367385 3989095 CN(C)C(CNC(=O)CCC1=CNC2=CC=CC=C21)C3=CC=CC=C3 1 3.573 3 1 -14.1104297140553 3989062 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)NCC3=CC=C(C=C3)C)(C)C 1 2.812 3 3 -16.1612545834821 3988968 CCCC(=NNC(=O)C1=CC(=C(C=C1)OC)OC)C2=CC=CC=C2 1 3.754 2 3 -14.3359876943197 3988965 COC1=C(C=C(C=C1)NC(=O)CCC2CCCCC2)S(=O)(=O)N3CCCCC3 1 3.796 2 4 -21.4673574291549 3988960 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C 1 1.449 4 3 0 -27.942283409386 3988955 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O 1 3.338 2 5 0 -19.1914192033677 3988949 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=CNC3=O 1 1.834 3 6 0 -21.7196793362541 3988909 C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NN=CC4=CC=C(C=C4)C(=O)O 1 3.929 2 3 -2.10928036334399 3988870 CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NCC3CCCO3 1 1.705 5 2 0 -31.013639847448 3988769 COC1=CC2=C(C=C1)NC(=C2)C(=O)NNC3C4=C(C(=C(C=C4)OC)OC)C(=O)O3 1 2.539 3 6 0 -4.60207958163171 3988727 CC1=CC(=C(C=C1)NC(=O)COC(=O)C(CC(C)C)N2C(=O)C3CC=CCC3C2=O)C 1 3.466 2 5 0 -16.9398950873717 3988696 C1=CC2=C(C(=C1)OC3=CC4=C(C=C3)C(=O)N(C4=O)CC(=O)O)C(=O)N(C2=O)CC(=O)O 1 0.417 2 9 0 -10.7878417266761 3988625 CC1=CC=C(C=C1)S(=O)(=O)CC(C)N2CCN(CC2)C3CCCCC3 1 4.173 2 2 -4.81650923243795 3988597 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4 1 3.818 3 3 -14.8869902012211 3988594 CN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)C5=CC=CC=C5OC 1 5.66 4 2 -5.12077594826452 3988576 CC1=CC=C(C=C1)C(=O)NC2=CC3=CC=CC=C3OC2=O 1 2.875 1 3 -7.24754939828292 3988516 CC1CN2C(=NN=C2S1)C3=CC=C(C=C3)F 1 2.81 3 0 -4.74263441576102e-002 3988499 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCCN3CCOCC3 1 3.049 3 3 -11.7361646326315 3988428 C1=CC=C(C(=C1)NC(=O)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl 1 3.094 2 4 -5.55240115554082 3988254 C1CN(CCN1C2=NC=CC=N2)C(=O)COC3=C(C=C(C=C3)Cl)Br 1 2.243 4 2 0.808202000129844 3988240 CC(C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3Cl 1 2.883 5 4 0 -21.4657467259705 3988234 CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C)Br 1 3.692 1 2 -2.53630863768878 3988142 CN1C(=NN=C1SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4F 1 3.293 4 3 0 -0.984017544967659 3988110 CCN1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=C(C=C3)OCC)N)[N+](=O)[O-] 1 2.511 7 3 0 0.602319877957054 3988064 CC1CN(CC(O1)C)C(=O)COC(=O)CC2=CC=C(C=C2)Cl 1 2.093 1 4 -12.3418552212733 3987944 CCCOC(=O)C(=O)NNC1=CC=CC=C1 1 1.846 2 3 0 -3.37690319909649 3987914 CC(=O)NC1=NN(C2(S1)CCCC3=C2C=CC(=C3)OC)C(=O)C 1 2.287 3 3 -6.97569310228657 3987738 CC1CC(N2C3=C1C=C(C=C3C(=C(C#N)C#N)C2=O)C)(C)C 1 2.988 3 1 -4.14985798513129 3987726 CCCNC(=O)CN1C(=O)C(NC1=O)CCC2=CC=CC=C2 1 1.474 3 3 0 -13.8411451404586 3987525 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 1.585 3 7 0 -13.6186115932862 3987497 C1CC(C2=CC=CC=C2C1)NC(=S)NC(=O)C3=CC=CO3 1 3.906 2 2 -7.6932762700174 3987410 COC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 1.733 3 7 0 -23.619498011947 3987315 C1=CC(=C(C(=C1)Cl)C=NNC2=C(C=NC=C2Cl)Cl)F 1 4.496 3 0 1.11329224186039 3987313 CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C(C)(C)C 1 6.302 5 2 0 -21.314696442077 3987255 C1CCC(C1)NC(=O)COC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.311 1 4 -10.0792314213654 3987192 CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=C(C=C3)SC(F)F 1 6.373 3 1 -10.5518521404908 3987159 CC(=NNC(=O)CCC1=CC=CC=C1)CCC2=CC=CC=C2 1 3.636 2 1 -8.77225232283056 3987088 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCCO2 1 2.145 2 4 -21.608404231919 3987023 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)N 1 1.342 4 6 0 -23.9772326469443 3987014 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-] 1 2.265 2 7 0 -18.2794235803696 3987001 C1CC(OC1)CNC(=O)C2=CC3=C(N2)C=CC(=C3)Cl 1 2.646 2 2 -2.00212306942184 3986822 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)Cl)S(=O)(=O)N3CCCCC3 1 2.565 3 5 0 -19.7293740490448 3986821 CC1CCCC(C1C)NC(=O)COC(=O)C2=C(N=CC=C2)Cl 1 2.897 2 3 -11.5247867262087 3986786 CC1CCCC(N1C(=O)CSCC2=CC=C(C=C2)Cl)C 1 3.981 1 1 -9.41064262117563 3986768 CSCCC(C(=O)OC1CCOC1=O)N2C(=O)C3=CC=CC=C3C2=O 1 1.104 1 6 0 -16.1864642757735 3986750 CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)COC2=CC=CC=C2OC)OC 1 2.514 1 7 0 -17.7473869353189 3986729 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN(CCO)C3=CC=CC=C3 1 1.667 3 4 0 -20.2075736055257 3986683 CC1=CC(=C(C=C1)C)S(=O)(=O)NN=C(C)C2=C(C=C(C=C2)OC)OC 1 3.306 2 4 -5.40274310302633 3986625 CC1=CC=C(C=C1)NC(=O)C(C2=CC=C(C=C2)Cl)N3CCOCC3 1 3.513 2 2 -6.53019315640781 3986576 C1CN(CCN1CCO)C2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-] 1 2.911 3 3 4.93360542521762 3986524 CC1=C(SC(=C1C(C2=CC=C(C=C2)OC)N3CCOCC3)NC(=O)C4=CC=CO4)C 1 3.785 2 4 -10.0008467261295 3986469 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 3.07 3 1 2.54006178607467 3986424 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC=N2 1 2.274 3 4 0 -15.6365442700646 3986299 CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)N(C)C3=CC=CC=C3 1 5.059 4 3 0 -4.59302883210816 3986277 CC1CN(CC(O1)C)C(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 1.138 3 4 0 -13.646001712442 3986167 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CNC(=O)C3=CC=CC=C3 1 0.186 3 7 0 -30.8087983130905 3986122 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)NC(=O)CC3=CC=CS3 1 3.057 2 5 0 -14.6424202319432 3986120 CCCCN1C2=CC=CC=C2N=C1C(C)NC(=O)CCC 1 3.808 3 1 -19.4933621372909 3986114 CC1CCCC(N1C(=O)CN2C(=O)C3(CCOC4=CC=CC=C43)NC2=O)C 1 1.529 3 4 0 -9.52086113549435 3985968 CC(C)(C)C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CSC2=CC=CC=C2 1 4.173 1 3 -8.91795269217725 3985793 CCC1C(=O)N=C(N(C1=O)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C 1 4.242 3 3 -17.2088588415033 3985761 CCN(CC)C(=O)C[N+]1=CC=CC(=C1)C=NO 1 1.224 3 2 0 -6.94320303100585 3985673 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=O)NC4=CC=CC=C43)N5CCOCC5 1 2.318 4 6 0 -16.8806851275764 3985644 CCC(=NNC(=S)NC(C)C)C1=CC=C(C=C1)OC(F)F 1 4.41 3 1 -8.61563464510547 3985517 CC(C(=O)NC1=C(C=C(C=C1)Cl)Cl)N2CCC(=CC2)C3=CC=CC=C3 1 4.855 2 1 -7.98662347133663 3985436 CCC(C(=O)NC1=NOC(=C1)C)SC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N 1 3.128 5 3 0 -23.5445594454098 3985391 CCC1(C2C1(C(=O)OC3=CC=CC=C23)C(=O)C)C(=O)C4=CC=CC=C4 1 3.302 0 4 -7.62636864208152 3985378 CCCCC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=C(C=CC(=C3)Cl)OC 1 5.415 2 2 -7.58964335275755 3985262 C1CN(CCN1C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4 1 1.359 4 6 0 -20.3131852448437 3985294 CN1C(=O)C(N(C1=S)NC(=O)C2=CC=C(C=C2)Br)CC(=O)NC3=CC=CC=C3F 1 3.081 4 3 0 -14.2544183671592 3985179 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.146 3 5 0 -6.78634694812095 3985155 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.053 4 5 0 -29.6419064460937 3985135 COCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=NC=C(C=C3)Cl 1 3.193 4 2 -14.7531976802883 3985021 CCCN(CCC)C1=C(C(=C(C(=N1)N)C#N)CC#N)C#N 1 2.589 6 0 -7.79880661309943 3985004 CC1CC=C(C(=S)N1)C2=CC=CC=C2 1 3.011 1 0 1.36764720292033 3984988 CC1=CC=CC2=NC(=CN12)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC 1 3.105 5 1 -5.78359309692129 3984987 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(=S)NC(C)COC 1 1.449 3 5 0 -27.7859365309031 3984960 C1=CC=C2C=C(C=CC2=C1)NC(=O)CN3C4=CC=CC=C4N=C3C5=CSC=N5 1 3.905 4 1 -3.11132566926099 3984944 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)CC3=CC=C(C=C3)Cl 1 2.978 3 4 0 -16.0039631231998 3984934 CC1CC(CN(C1)C(=O)CSC2=NC(=O)C=C(N2)N)C 1 1.056 4 2 0 -18.3357554137609 3984904 CC1=C(C(=NO1)C)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F 1 1.161 2 6 0 -26.0874635238657 3984843 C=CCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)Br)O 1 2.208 2 3 -6.80237148893488 3984804 CC(=NNC1=C(SC=C1)C(=O)OC)C2=CC(=C(C=C2)F)Cl 1 4.108 2 2 -3.08313097339328 3984697 CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 1.228 3 6 0 -13.2578609789516 3984530 COC1=CC=CC2=C1OC(=NNC(=O)C3=CC=CC=C3)C(=C2)C(=O)N 1 1.939 3 4 0 -8.30305897710841 3984516 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCCN3CCCC3=O 1 1.154 3 6 0 -36.7965623754018 3984428 CN1C=C(C=CC1=O)C(=O)NN=CC2=CC(=C(C=C2)OC)OC 1 0.662 3 4 0 -11.7887574517757 3984311 CC(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC(=O)NC5=CC=CC=C54 1 3.846 4 3 0 -25.4978873901564 3984289 C1CCN(C1)C(=O)COC2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O 1 1.473 3 4 0 -11.525222545669 3984265 CCOC1=C(C=C(C=C1C(=O)N)[N+](=O)[O-])[N+](=O)[O-] 1 0.953 3 6 0 -5.06083584080696 3984190 CCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=CC3=C2N=CC=C3 1 4.506 2 2 -10.1828526320374 3984161 CC1=C(C=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)N(C)C)C 1 3 3 4 0 -17.8606852991387 3984116 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F 1 -0.531 2 8 0 -33.961303580255 3984102 CC(C(=O)NN=C(C)C(C)(C)C)N(C1=CC=C(C=C1)OC)S(=O)(=O)C 1 1.972 3 4 0 -10.8893962036701 3984076 CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)Cl)C#N 1 1.974 3 2 0 -10.9766926870021 3984054 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)N(CC2=CC=CC=C2)C3=CC=CC=N3 1 5.472 4 3 0 -11.3160587757599 3984045 C1CCCN(CC1)C(C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CO3 1 3.619 2 3 -9.67344531302897 3983935 CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)N(C)C3CCS(=O)(=O)C3 1 2.34 2 4 -14.7172248325875 3983933 CC1=C(SC=C1)C=NNC2=NC(=O)C=C(N2)C 1 1.847 4 1 0 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CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N 1 1.965 4 4 0 -25.1189713788594 3983477 CC(C)OC1=CC=C(C=C1)C(CC(=O)NCCCN(C)C)C2=CC=C(C=C2)F 1 3.929 2 2 -10.8376121020594 3983474 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.575 3 8 0 -31.8642768080739 3983351 CC(C1CC2CCC1C2)NC(=O)CN3C4=CC=CC=C4N=C3NCCO 1 2.191 4 2 -9.17507554768044 3983156 C1CN(CCN1CC(=O)NC2=CC(=CC(=C2)Cl)Cl)C3=CC=CC=N3 1 3.303 4 1 -1.19739117715918 3983037 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)CN2C=NC3=CC=CC=C32)C 1 2.195 4 5 0 -19.691887901003 3983009 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.803 2 5 0 -15.8180240950899 3982938 CC(CNC1=NC2=CC=CC=C2N1CC(=O)NC34CC5CC(C3)CC(C5)C4)O 1 2.47 4 2 -9.267459484579 3982898 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC(=O)NCC3=CC=CO3 1 1.159 3 8 0 -25.053327912098 3982788 CCCSC1=C(C(CC(=O)N1)C2=CC=CS2)C#N 1 2.66 2 1 -15.3405632868542 3982753 C1=CC=C2C(=C1)C=C(C(=NNC(=O)C3=CC(=CC=C3)F)O2)C(=O)N 1 2.161 3 3 -6.16806254898481 3982734 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)C3=CC=C(C=C3)Cl 1 3.322 2 4 -9.61544313604275 3982674 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.938 3 5 0 -11.0951053444276 3982636 CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-] 1 4.254 3 5 0 -2.76939250138495 3982611 CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=NCCS3 1 2.964 3 5 0 -18.7905378604597 3982526 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=CC=C3O 1 2.203 3 6 0 -14.8080078002451 3982266 CC1=CC=CC2=CC(=C(N=C12)Cl)C3CC(=NN3S(=O)(=O)C4=CC=CC=C4)C5=CC=CO5 1 5.06 3 3 -4.38517428820286 3982049 C1=CC(=CN=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4 1 1.619 9 2 0 -25.5207678510962 3981953 CC(C)OC1=CC=C(C=C1)C2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N 1 1.036 2 5 0 -8.18722034103148 3981951 COC(=O)C1=C(OC2=C(C1C3=CC=CC=C3F)OC(=CC2=O)CO)N 1 0.508 1 6 0 -9.36471195292333 3981948 COC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(O3)Br 1 3.091 2 3 6.85574448995822 3981921 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NNC(=O)C3=CC=CO3 1 0.62 3 5 0 -8.18687055227163 3981865 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4F 1 3.922 3 3 -10.2122070807467 3981834 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC(=O)N)C)C 1 1.477 3 6 0 -26.1764524602774 3981800 CCCC1=C2C(=NN1)OC(=C(C23C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)C(=O)OC)N 1 3.554 4 4 0 -5.10983227768542 3981549 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)SC2=NC3=CC=CC=C3N2CCOC 1 4.341 4 2 -8.15532163351931 3981547 CC1=NC(=C(C=C1)OCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4)[N+](=O)[O-] 1 3.769 4 5 0 -11.6565144802363 3981492 CC1=C(C=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)Cl 1 0.816 6 4 0 -24.4710017065233 3981441 CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3F)C 1 3.982 4 3 0 -14.6109539321784 3981435 CCOP(=O)(C1=CC=CC(=C1)OCCOCCOC2=CC(=CC=C2)P(=O)(O)OCC)O 1 2.418 0 9 0 -7.43824471431375 3981382 CCOC1=CC=CC=C1N2C(=NN=N2)SC(C)C(=O)OC 1 2.324 4 3 0 -18.6658465217082 3981314 C1CCC(C1)NC(=O)NC(=O)COC(=O)CC2CC3CCC2C3 1 2.31 2 4 -6.21311063323214 3981165 CCOC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.913 3 4 0 -22.3959752205524 3981138 C1CC(OC1)CNC2=NC(=C(C(=N2)NC3=CC(=CC=C3)Cl)[N+](=O)[O-])N 1 2.07 6 3 0 0.339162804547286 3981051 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC=C 1 2.018 2 3 -10.3283773969009 3980962 C1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C4=CC=CC=C42)OC(=O)S3)C(=O)C5=CN=CC=C5 1 4.445 2 5 0 -8.05562162903101 3980953 C1CC2=C(C3=CC=CC=C3N=C2C1)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5 1 2.669 3 4 0 -19.3180960289725 3980941 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 1.465 4 3 0 -15.9378505939082 3980751 COC1=CC(=C(C=C1)OC)NC(=O)CC2C(=O)N=C(S2)NCC3=CC=CC=C3 1 2.876 3 4 0 -13.3255213901646 3980651 CCC1=CC=C(C=C1)NC(=O)C(=O)NN=C(C)CC(=O)NC2=CC=C(C=C2)OC 1 2.147 4 4 0 -8.84451851386905 3980527 C1=CC=C(C=C1)N2C(=O)C3C(C4=C(NC(=O)S4)SC3C2=O)C5=C(C=CC(=C5)[N+](=O)[O-])O 1 2.935 3 6 0 -1.60182906328932 3980540 C1CN(CCN1C(=N[N+](=O)[O-])N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] 1 2.963 6 6 0 -7.09525671726248 3980487 CC(C)N(C(C)C)C(=O)COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)OC)OC 1 2.99 2 7 0 -18.9737391787169 3980475 CCN(CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2 1 2.568 7 2 0 -1.11657400559534 3980395 CC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)O 1 3.365 3 4 0 -1.13085560525653 3980393 C1CC1NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 0.703 2 6 0 -26.9396005228522 3980387 COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCS(=O)(=O)C4 1 2.364 3 5 0 -31.4239385910968 3980377 CC1(CC(=NNC(=S)NCC2=CC=CC=C2)CC(=O)C1)C 1 2.996 3 1 -13.9300881395805 3980309 C1=CC=C(C=C1)CC2C(=O)N(C(=O)N2)CC(=O)NC3=CC(=C(C=C3)F)Cl 1 2.592 3 3 -5.9085626214427 3980280 CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC(C(C)C)C(=O)O)C3=CC(=CC=C3)Cl 1 5.49 4 3 0 -16.5121232737924 3980264 CC1=C(C(C2=C(N1)N(C(=O)N(C2=O)C)C)C3=CN=CC=C3)C(=O)OCC4=CC=CC=C4 1 1.763 4 4 0 -28.0437418376907 3980142 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)COC3=CC=CC=C3 1 0.72 4 5 0 -19.0629160274488 3980077 CC1=NN=C(S1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 1.777 4 3 0 -30.052385518738 3980041 CC1CC1C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC 1 2.435 2 5 0 -14.1890823912281 3980040 COC1=CC=CC=C1C2C(=C(OC3=C2C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)N)C#N 1 5.143 4 2 -4.40440834196199 3979946 CC(C)(C)CC(=O)NC1=NN=C(S1)CCC2=CC=CC=C2 1 3.421 3 1 -13.6040911456773 3979894 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CC3=CC=CC=C3F 1 1.971 1 5 0 -12.7035187405822 3979874 CC(=O)OC1=C(C=C(C=C1)C=NNC2=NS(=O)(=O)C3=CC=CC=C32)OC 1 2.016 3 5 0 -9.28813211177728 3979749 C1=CC=C(C=C1)OCC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.076 2 4 -8.08288566974852 3979675 CCCNC(=O)C1=CC2=C(C=C1)NC(C3C2C4CCC3C4)C5=CC=CC=C5 1 4.65 2 1 -9.40815263341417 3979667 CC(C)CC1C(=O)N(C(=O)N1)CC(=O)N2CCCC3=CC=CC=C32 1 2.134 3 3 -16.0121876217765 3979665 CN1CC(=O)N(C1=O)CC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 -0.263 4 4 0 -11.7145554963267 3979644 C1=CC=C(C=C1)CCNC(=O)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.711 3 5 0 -19.3272984682402 3979641 COC1=CC=CC=C1OCC(=O)NCCCN2C=CN=C2 1 0.661 3 3 0 -11.0838688787943 3979563 C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(O2)CCCOC3=C(C=C(C=C3)Cl)Cl)C(=O)O 1 4.212 3 5 0 -17.3042095590252 3979503 CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3)C 1 4.511 3 2 -18.0313741962753 3979481 CC(C)CNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCC(C)C 1 2.73 2 4 -19.9230838681495 3979471 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3CCS(=O)(=O)C3 1 0.888 4 3 0 -23.0528629459764 3979430 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 0.526 2 9 0 -23.3849354430259 3979382 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=C(C=C3)OC)OC 1 2.116 2 5 0 -18.4316272580475 3979345 CC1CCCC(N1C(=O)COC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)C(=O)O)C 1 3.234 3 5 0 -13.8653481589757 3979329 CCOCCCNC(=O)C(C1=CC=C(C=C1)C)NC(=O)C2=NC=CN=C2 1 0.71 4 3 0 -22.0902727581885 3979269 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC=C(O2)Br)C 1 1.741 2 2 0 -12.7566539558131 3979258 CCCC(=O)N(CC1=CC(=O)NC2=CC=CC=C21)C3=CC=CC=C3OC 1 3.229 2 3 -17.6167054454813 3979173 CC(C1=CC=CC=C1)NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 2.45 3 3 -11.9839209756171 3979143 CC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C3=CC(=CC=C3)NS(=O)(=O)C)C4=CC=CS4 1 3.66 3 3 -10.1731433690787 3979086 CCCCN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CO3 1 1.788 4 3 0 -9.13179856523427 3978977 CC(C)N(C(C)C)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC3(CC2CC(C3)(C)C)C 1 3.562 2 5 0 -26.4013433018359 3978883 CC1=CC=C(C=C1)NC(=O)COCC(=O)NC2=CC=C(C=C2)F 1 2.015 2 3 -3.60344905493074 3978879 CCCN1C2=CC=CC=C2N=C1NC(=O)C34CC5CC(C3)CC(C5)(C4)O 1 3.425 3 2 -6.72556832657329 3978857 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-] 1 -0.6 3 7 0 -19.5850569875886 3978804 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)F)N 1 2.229 6 3 0 -6.1985617676704 3978781 CC1CCCC2(C1)NC(=S)N(N2)C3=CC=CC=C3 1 3.951 3 0 1.38121487699828 3978767 CC1(C(=O)N(C(=O)N1)CC(=O)NCCC2=CCCCC2)C3=CC4=C(C=C3)C=C(C=C4)OC 1 3.355 3 4 0 -11.450026999479 3978672 C1=CC=C(C=C1)N(CC(=O)NCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4 1 4.399 3 3 -19.823792520619 3978542 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=C(C=C3)O 1 3.786 2 6 0 -15.4834031800473 3978518 CC(=O)NC1=CC=C(C=C1)C=NNC(=O)CNS(=O)(=O)C2=CC=CC=C2 1 0.566 4 4 0 -16.2656294521569 3978499 C1CCC(=NNC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)Cl)C1 1 4.183 2 2 -6.66929654565231 3978426 COC1=CC=CC=C1CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4 1 2.752 4 4 0 -27.9666824258343 3978350 CC1CC(=NNC(=O)C2=CC=CS2)CC(C1)(C)C 1 3.071 2 1 -10.8848701041282 3978346 CC(=NNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl)C3=CC=C(C=C3)N4CCOCC4 1 3.385 5 4 0 -20.296489004153 3978320 CC(C(=O)NN=CC1=CC=CO1)NC(=O)C2=CC=CC=C2 1 1.622 3 3 0 -13.0795742215493 3978289 CC(=NNC(=S)NCCOC)C1=CC2=CC=CC=C2O1 1 2.676 3 2 -6.8966389799033 3978264 C1=CC=C(C(=C1)NC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N)F 1 0.713 6 3 0 -0.71860533722007 3978169 CCC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=CS3 1 1.917 5 1 0 -8.59623640051436 3978154 CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)COC(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-] 1 3.031 3 7 0 -16.429424713891 3978106 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CS(=O)(=O)C3=CC=CC=C3 1 2.92 2 4 -5.17630486966277 3978028 CN1C=C(C(=N1)C(=O)NN=CC2=CC=C(C=C2)OCC(=O)OCCSC)Cl 1 2.73 4 4 0 -13.8322210099964 3978016 CC1=CC(=O)N=C(N1)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)C 1 2.062 6 1 0 -11.3088590217549 3977975 CC1(CC(=O)C(=NNC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C(=O)C1)C 1 2.151 3 6 0 -12.0442188659521 3977838 CC1=CC=C(C=C1)C(=O)OCC2C(C3C(O2)OC(O3)(C)C)O 1 1.261 0 6 0 -15.7263919065712 3977672 CCNC(=O)COC(=O)CCC(=O)C1=CC=CS1 1 1.002 1 4 0 -17.7100942158676 3977577 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CO3 1 2.044 2 4 -16.7768934896276 3977533 C1=CC=C(C=C1)N2C(=NN=N2)OCCO 1 0.702 4 2 0 -6.34325220540521 3977521 CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)N)Cl 1 4.101 3 4 0 -15.2361933978898 3977504 CC1=CC=CC=C1NC2=NN=C(S2)SCC3CCCCO3 1 3.601 3 1 -11.6375754942599 3977338 CC(=NNC1=NC2=CC=CC=C2N1)C3=CC4=CC=CC=C4O3 1 3.444 4 1 7.00644852967568 3977326 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C=C(C3=O)C#N)C(=O)C4=C(C=CC(=C4)F)O 1 1.718 4 4 0 -11.2214648421359 3977293 CC1=CC(=CC(=C1)NC(=O)CN2C(=O)C3CC=CCC3C2=O)C 1 2.043 2 3 -7.505641945767 3977237 CC1=CC(=C(C=C1)N2C(=O)C3C(C2=O)NN=C3C(=O)OCC4=CC=CC=C4)C 1 2.728 3 4 0 -8.56807177413114 3977215 CSC1=NSC(=C1C#N)NN=CC2=CC3=C(C=C2)OCO3 1 3.313 4 2 -8.81900640987402 3977038 COC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)OC 1 2.981 2 4 -20.5240103554405 3976980 CCC(C)NC(=O)CON=CC1=CC=CC=C1OC(F)F 1 2.811 2 3 -8.7871196373934 3976872 CC(C)C(C(=O)NCC(C1=CC=CC=C1)N(C)C)NC(=O)C2=CC=CC=C2 1 3.176 3 2 -19.7591913109628 3976799 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3 1 1.899 2 5 0 -23.6501971754849 3976796 COCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)Br)O 1 1.461 2 4 0 -4.82833850728672 3976638 CN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)C5=CC(=CC=C5)OC 1 5.66 4 2 -1.75325523398237 3976631 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5 1 0.231 4 5 0 -11.8797335875913 3976510 C1CC2CC1CC2CC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.41 2 5 0 -8.55623213807966 3976444 C1CN(CCN1CCC(=O)NNC(=S)NC2=CC=CC=C2Cl)C3=CC=CC=C3 1 4.158 5 1 -2.88170431589829 3976436 CC(=NNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CC=CC=C3Cl 1 2.624 3 4 0 -25.6732380047771 3976387 CCOC(=O)C1CCN(CC1)CC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC(C)C)N 1 1.071 5 5 0 -13.5866098686996 3976349 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(O2)C3=CC=CS3 1 0.939 3 4 0 -26.7954694988886 3976202 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CCCCC2CO 1 2.571 3 3 -14.5165172210639 3976167 CC1=CC=C(C=C1)N2C(=O)C(SC2=O)CC3=CC=CC=C3 1 4.354 1 2 -3.27040870574795 3976161 CC(C)CC(C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)OC)N2C(=O)C3CC=CCC3C2=O 1 3.142 2 6 0 -14.4877004297084 3976160 COC1=CC=CC(=C1)NC(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5 1 3.687 5 4 0 -14.2577596305388 3976052 CCOC(=O)C1=C(C=C(S1)NC(=O)NC2=CC=CC=C2Cl)C 1 3.955 2 3 -8.22189668895668 3975900 C1CCC(CC1)NC(=O)CCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.582 3 4 0 -15.0808861700285 3975871 CN(CC1=CC=CC=C1)C(=O)C(C(=O)C2=CC=C(C=C2)F)N3C=C(C=CC3=O)Cl 1 2.91 2 3 -4.29394242161288 3975717 CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CN=CC=C3 1 1.423 2 5 0 -14.7164766796491 3975643 C1CCC(CC1)NC(=O)NC(=O)COC2=CC=C(C=C2)C=O 1 2.271 2 4 -11.6304145751561 3975584 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.313 3 4 0 -20.9049112600693 3975505 C1CCC(=NCC1)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.53 4 3 0 -10.8329786614313 3975503 C1=CC=C2C(=C1)C(=NC(=N2)C(Cl)(Cl)Cl)NN=CC3=CC=CC=N3 1 3.82 5 0 3.20746798070251 3975501 C1=CC=C2C(=C1)C(=NC(=N2)C(Cl)(Cl)Cl)NN=CC3=CC=NC=C3 1 3.392 5 0 1.75099245637657 3975353 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=CN=C2)Br 1 0.405 2 5 0 -20.0460187629613 3975270 C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4CCCO4 1 3.662 3 3 -16.7456079602773 3975251 C1CCCC(CC1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)N 1 2.455 2 4 -19.8323600296735 3975184 C1CC(=O)N(N=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)F)C4=CC=CC=C4 1 2.919 4 2 -8.67948005143253 3975175 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.012 2 6 0 -21.5313889929691 3975167 CC1=NC2=CC=CC=C2N1CC(=O)NC(C)C3CC4CCC3C4 1 3.114 3 1 -7.56339798833701 3975151 CCNC(=O)NC(=O)COC(=O)CCC1=NC(=O)C2=CC=CC=C2N1C 1 0.294 4 5 0 -12.6458065239779 3975080 C1CCC(CC1)NC(=O)CSC2=NN=C(O2)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5 1 5.217 4 2 -17.9721720594668 3975076 CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCC(=O)C2=CC=CS2 1 3.657 1 4 -16.3121713770878 3975072 CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NC=CC=N2 1 2.207 3 2 -8.42655904540728 3974988 CN1C(=O)C(=CC2=CC3=C4C(=C2)CCCN4CCC3)C(=O)N(C1=O)C 1 2.5 3 3 -9.87245881313547 3974873 C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)C4=CC=CC=C4 1 3.507 4 2 -3.49737554012703 3974870 CSCCC(C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)N 1 1.52 3 2 0 -14.2070011398647 3974867 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-] 1 0.521 4 8 0 -24.4861529963783 3974854 COC1=CC(=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)C(=O)O)(CC5=CC=CC=C5)C(=O)O)[N+](=O)[O-] 1 0.133 3 9 0 2.75360630988265 3974799 C1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)NC(=O)C4=CC=CO4 1 4.747 2 4 0.966470513694236 3974775 CN(CC1OCCO1)CC(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC 1 1.136 3 6 0 -8.51485935835382 3974765 COCCN1C(=CSC1=NC2=CN=CC=C2)C3=CC=C(C=C3)Br 1 3.054 3 1 -0.202393222483291 3974689 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)C 1 1.303 3 5 0 -14.3637743785513 3974576 C1CN(CC2=C1C(=C(S2)NC(=S)NC(=O)C3=CC=CC=C3)C#N)CCC4=CC=CC=C4 1 5.562 4 1 -18.5647675572436 3974558 COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)OCC(=O)NCC(F)(F)F 1 1.127 5 6 0 -24.9118444809503 3974471 CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.581 3 4 0 -24.2527526862703 3974465 COC(=O)CC1C(=O)NCCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 1.126 4 6 0 -32.4541567303621 3974423 C1=CC=C2C(=C1)C=CC=C2COC3=CC=CC=C3C=NNC(=O)N 1 3.284 3 2 -2.58284782501157 3974418 COC1=CC=C(C=C1)NC(=O)CCC(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 3.979 1 5 -17.375086812664 3974406 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3)N 1 0.965 6 3 0 -15.4504710378179 3974384 CC(C(=O)NC1CCCC1)OC(=O)C2=CC=C(C=C2)N(C)C 1 2.793 2 3 -13.2270340687238 3974344 CCOC1=C(C=CC(=C1)C=NNC(=O)CN2CCOCC2)OCC3=CC=C(C=C3)F 1 2.817 3 4 0 -11.5045915186001 3974222 CC1=NN2C3=C(C=NC2=C1C4=CC=CC=C4)C(=O)CC(C3)C5=CC=CC=C5 1 3.716 3 1 -7.98288782382948 3974082 COC1=CC=CC(=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3 1 2.307 2 3 -12.9106136527699 3974066 COC1=CC=CC(=C1)N(CC2=NN=C3N2CCCCC3)C(=O)NC4=CC=CC=C4 1 3.487 5 2 0 -10.9262318175869 3973965 CC(=NNC1=CC=CC=N1)C2=CC=C(C=C2)C#N 1 2.696 4 0 -1.86231528445638 3973861 CC1=CC(=CC=C1)N2C=C(NC2=S)C3=CC=CC=C3 1 4.321 2 0 -0.554459717928676 3973786 CCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NCCC3=C(NC4=C3C=C(C=C4)C)C 1 4.862 2 2 -5.99385621449525 3973770 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4 1 3.046 4 3 0 -12.1986929598769 3973740 CC1CCCC(C1C)NC(=O)COC(=O)C2=CN=C(C=C2)Cl 1 2.897 2 3 -14.7981534185696 3973730 CCOC1=C(C=C(C=C1)C=NN2C(CCCC2C)C)OC 1 3.552 2 2 -6.3970398246442 3973726 C1CCCC(=NNC(=O)NC2CCCCC2)CC1 1 3.054 3 1 -11.0990699555599 3973706 CC1CC2=CC=CC=C2N1CC(=O)NC3=CC4=C(C=C3)OCO4 1 2.848 2 3 -10.0111431765395 3973704 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)O 1 2.586 4 4 0 -11.5097475549286 3973700 CC1CC(CN(C1)C(=S)NC2CCCCC2)C 1 4.607 2 0 -11.2655711135532 3973683 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OC)OC)C(=O)OCC3CCCCC3 1 3.221 2 5 0 -34.2259115711197 3973632 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)OC 1 0.217 6 6 0 -24.6514741722672 3973627 CC(=O)C(=NNC1=CC(=CC=C1)Cl)SC2=CC=CC3=C2N=CC=C3 1 4.742 3 1 2.85933929184326 3973626 CCC(C(=O)NC1=NN=C(S1)C)OC(=O)C(CC(C)C)NC(=O)C2=CC=CC=C2 1 2.84 4 4 0 -25.0738756396769 3973576 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43 1 3.641 3 2 -5.91580797724974 3973561 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)C3=CC4=C(C=C3)C=C(C=C4)OC 1 4.184 0 7 0 -11.8359153980464 3973535 CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O 1 2.706 2 5 0 -20.3999468789343 3973534 C(CNC1=C(C(=NC(=C1F)F)F)F)CNC2=C(C(=NC(=C2F)F)F)F 1 4.026 4 0 -0.812078022756467 3973468 CC1=CC(=C(C=C1)N(CC(=O)NCCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C 1 5.224 3 5 0 -19.0955673790637 3973466 CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)F)Cl 1 3.949 2 7 0 -15.3261169108834 3973461 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CN(CCO)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 -0.713 5 7 0 -10.5890571117998 3973405 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)Cl 1 3.32 2 3 -20.142586637057 3973397 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=CC=C3)Br 1 1.166 4 5 0 -11.2086479089468 3973396 CCOC1=CC(=C(C=C1)C(=S)N2CCCC2)OCC 1 3.793 1 2 -3.74609849849133 3973296 CCN1C2=CC=CC=C2N=C1SCC(=O)N(CC)C3CCS(=O)(=O)C3 1 2.105 3 3 -21.1053863803134 3973187 COCCN1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=CC=C3 1 3.147 3 2 -21.1885319890145 3972987 CC1=CC(=C2CCCC(=NNC(=O)C3=C(OC(=C3)C)C)C2=C1)C 1 3.812 2 2 -10.2540646827416 3972953 CCNC(=O)CC1C(=O)N(C(=NC2=CC=C(C=C2)Cl)S1)CC 1 2.893 3 2 -9.70755718390257 3972918 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)Cl 1 4.106 3 2 4.12163544239065 3972782 COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C4N3C=CC=C4)Cl 1 4.691 4 2 -15.6326130834678 3972761 CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC5=C(O4)C(=CC=C5)OC 1 3.985 2 6 0 -16.8064312034193 3972709 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4)C 1 1.185 5 5 0 -19.824263100657 3972701 C1=CC=[N+](C=C1)CC(=NS(=O)(=O)C2=CC=C(C=C2)Cl)[O-] 1 2.289 2 3 -5.29395331811294 3972699 COC1=C(C=C(C=C1)C=C(C2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5S4)O 1 6.017 2 2 2.83289917819048 3972605 C1CCCC(=NNC(=O)C2=NC3=CC=CC=C3C=C2)CCC1 1 3.935 3 1 -10.8402648617269 3972597 CCCNCCC(C1=CC=CC=C1OC)C2=CC=CO2 1 3.469 1 2 -6.73612482689826 3972549 C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=C(C=C4)C(=O)O 1 3.17 1 3 -7.45770412034186 3972470 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3 1 1.829 2 7 0 -16.1865338014513 3972397 C1CC(OC1)CN2C(=NC3=NC4=CC=CC=C4N=C32)C5=CC=CC=C5F 1 3.899 4 1 -11.4111995001791 3972280 C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC=CC(=O)N3 1 2.087 5 2 0 -21.718248939544 3972252 CC(C(=O)N1CCCCCC1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 1.848 2 4 0 -14.8819214037868 3972228 C1CCC(=NNC(=O)C2=CC=CC=N2)C3=CC=CC=C3C1 1 3.179 3 1 -11.2457717294965 3972218 CCN(CC)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2C(C)NC(=O)C4=CC=CC=C4 1 4.516 5 2 0 -18.8906970729434 3972180 CC1=C(C=C(C=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)N(C)C 1 2.832 3 3 -13.3416438327188 3972146 C1=CC(=CC(=C1)NN=CC2=CC=C(C=C2)OC(F)(F)F)C(=O)O 1 5.198 2 3 1.53458830888 3972131 CC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)N 1 1.077 1 2 0 -6.34219244897551 3972029 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 4.092 2 5 0 -9.98222558504454 3971986 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=CC(=CN=C2)Br 1 1.815 3 3 0 -12.4267603722132 3971884 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4CC=CCC4C3=O 1 2.182 3 3 -3.97079788011386 3971848 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F 1 2.085 2 6 0 -18.7918929572691 3971663 CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 1.403 3 4 0 -10.7453987090495 3971639 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NN=CC3=CC=CC=C3 1 2.897 3 2 -8.41006481866868 3971530 CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC(=O)C=C(N3)N 1 2.403 5 2 0 -26.8547867224773 3971484 CC1=CC=CC=C1N2C3=C(C(=N2)C)C(=CC(=N3)C4=CC=NC=C4)C(=O)NN 1 2.38 6 1 0 -5.85272341456525 3971436 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N(C)C3CCS(=O)(=O)C3 1 1.442 4 5 0 -31.1735489809237 3971306 COC1=CC=C(C=C1)OCC(=O)NN=CC2CCC=CC2 1 2.412 2 3 -5.05558345158519 3971286 CCCCNC(=S)N(C)N=C1CCC(CC1)C2=CC=CC=C2 1 4.775 3 0 -6.02044168312245 3971209 CC1=NN2C(=O)C(=CN=C2S1)NC(=O)C3=CC=C(C=C3)Cl 1 1.653 4 2 0 -8.4219599302497 3971245 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)N(CCC#N)CC2=CN=CC=C2 1 3.063 5 2 0 -20.796013484014 3971149 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC(=NC4=CC=CC=C43)C 1 3.598 3 4 0 -9.90668487604947 3971050 C1CC(=O)N(C1)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 0 2 7 0 -28.862861921383 3971017 CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3CC(=O)NC3 1 0.681 3 4 0 -23.1145407964146 3970960 C1CS(=O)(=O)CC1N(CC2=CC=CS2)C(=O)C3=CC=CC=C3F 1 2.28 1 3 -13.5350344178429 3970919 CCCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=O)C3=CC=CO3 1 2.461 2 4 -9.82883674007053 3970858 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=C(C=C(C=C3)F)F 1 2.201 2 6 0 -19.9317297138182 3970790 CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC(CC3)C(=O)OC 1 3.203 1 4 -5.12843241156469 3970772 CC1=CC(=C(C=C1)C)S(=O)(=O)NN=C2CCS(=O)(=O)C3=C2C=C(C=C3)F 1 3.005 2 4 -1.63966327358507 3970694 CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CN=CC=C3)CC4=CC=C(C=C4)Cl 1 2.314 7 2 0 -6.72225693547939 3970640 COC1=C(C=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCCC3)OC 1 2.416 3 4 0 -15.7331239088565 3970632 CC(=NNC(=O)C1=C(C=C(C=C1)O)O)CN2C=NC(=N2)[N+](=O)[O-] 1 0.403 6 5 0 -4.9100424123877 3970461 CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC 1 2.996 2 9 0 -18.3159371358215 3970453 CC1=CC(=O)N=C(N1)NN=CC2=CC=C(C=C2)SC 1 1.949 4 1 0 -8.70970015279604 3970406 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4 1 2.961 3 3 -1.96923851950277 3970402 C1CCCC(CC1)NC(=O)COC(=O)COC2=C(C=C(C=C2)Cl)Br 1 4.307 1 4 -8.51653463372816 3970312 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=CC=CC=[N+]3[O-] 1 0.843 3 5 0 -25.1095240688764 3970252 C=CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3 1 1.246 3 6 0 -29.1420285245172 3970207 C1C(CN(C1C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)O 1 2.08 1 6 0 -13.244831176335 3970203 COC1=CC=C(C=C1)CCNC(=O)COC(=O)CC2=CC=CC3=CC=CC=C32 1 3.576 1 4 -10.2187935153483 3970160 CCOC1=CC=C(C=C1)C(=NNC(=S)NC(C)C)CCC(=O)O 1 3.116 3 3 -15.8702824994277 3970101 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.462 3 9 0 -25.2110802086475 3970006 CC(C)NC(=O)CC1C2=CC=CC=C2C(=O)O1 1 1.501 1 3 0 -15.9232642963013 3969988 CC(C(=O)NN=CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2 1 2.227 3 2 -13.1023205987907 3969909 COC(=O)C1=CC=CC(=N1)C(=O)NC2=NC(=CC=C2)NC(=O)C3=NC(=CC=C3)C(=O)OC 1 2.45 5 6 0 -11.0295161878223 3969903 CC1=CC(=NO1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3F 1 3.163 2 3 -8.47160509735982 3969890 C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=NNC3=CC=C(C=C3)C(=O)O)Cl 1 5.174 2 4 -4.77493788110881 3969887 CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)NN=C3C(=O)OCC4=CC=CC=C4 1 2.242 3 4 0 -8.51450177134059 3969831 CCOC1=C(C=CC(=C1)C2C(=O)NC(=O)N2)O 1 0.649 2 4 0 -13.2548242449724 3969561 COC1=CC=CC(=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=COC=C4 1 2.742 4 3 0 -7.42648364866871 3969534 COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=C(C=C3)F)C(=O)OC 1 1.058 3 7 0 -30.5483581772683 3969483 CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N2C4=CC=CC=C4)C 1 5.068 3 3 -10.899409113299 3969468 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 4.657 4 4 0 -19.8875900154614 3969440 CC1CCCCN1C(=S)NCC2=CC=CO2 1 3.253 2 1 -11.7613852709527 3969432 C1C=CCC2C1C(=O)N(C2=O)CC(=O)NCC3COC4=CC=CC=C4O3 1 0.957 2 5 0 -11.9991170730779 3969431 CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NN=C(S3)N 1 1.611 5 2 0 -11.1188265047435 3969360 C1CC1N2C(=O)CC3=C2N=C(C4=C(N=C(C(=C34)C#N)N5CCN(CC5)C6=CC=C(C=C6)F)N)N 1 2.041 8 1 0 -4.99066239655264 3968995 C1=CC(=CC=C1N2C(=NNC2=S)N)Cl 1 2.468 4 0 -1.53891310028088 3968920 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NCCC3=CC=C(C=C3)F 1 2.462 3 3 -10.9988147074341 3968806 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)CC(=O)NC3=CC=CC=C3OC 1 2.535 5 3 0 -19.5721241307361 3968821 CCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)NCCO)C 1 1.933 3 2 0 -7.5018018105299 3968828 CC1(CC2=C(C(C(=C(O2)N)[N+](=O)[O-])C3=CC=C(C=C3)OC)C(=O)C1)C 1 2.129 2 5 0 -14.7126705537935 3968564 CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.215 5 3 0 -34.7513955549832 3968539 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC=CC=C2O 1 2.83 1 4 -12.8674181387199 3968533 C1=CN=CC=C1C=NNC2=C(C=C(C=N2)Cl)Cl 1 3.015 4 0 5.65534693573422 3968486 C1OC2=C(O1)C=C(C=C2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 2.355 2 4 -15.8009701635923 3968433 CC1CCCC(C1C)NC(=O)CCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.098 2 4 -20.802460269589 3968429 CC1CCCC(C1C)NC(=O)CCC(=O)NCC2=CC=CC=C2 1 2.81 2 2 -17.7977477487212 3968369 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)NCC3=CC=CO3 1 1.588 3 6 0 -21.1243637417603 3968322 CC1=C(C(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C(F)F)Cl 1 0.613 4 6 0 -16.0418050084464 3968241 CC1=CC(=NN1C2=NC3=CC=CC=C3N4C2=NN=C4C)C 1 2.389 6 0 -8.51419690311225 3968274 COC1=CC=C(C=C1)CNC(=O)CCC(=O)NC2=CC=C(C=C2)Cl 1 2.605 2 3 -11.35029980759 3968007 CN1CCN(CC1)CC2=CN3C=CC=NC3=N2 1 0.431 5 0 0 1.42848310927014 3967961 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.647 3 5 0 -12.6179124169533 3967955 CCN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=CC=C(C=C3)C(F)(F)F 1 3.021 3 3 -8.95175908840821 3967840 C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)O 1 4.937 2 2 -1.82751792519033 3967816 CCOC(=O)CC(C1=CC=C(C=C1)C)NS(=O)(=O)CC2=CC=CC=C2 1 3.15 1 4 -13.5894510474332 3967809 C1CC(=NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)CC(=O)C1 1 3.224 2 2 -2.01950841000557 3967806 C1CC(=NNC(=O)C2=CC=C(C=C2)COC3=CC=CC4=C3N=CC=C4)CC(=O)C1 1 3.16 3 3 -12.5995552389025 3967620 CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2C(=O)C(NC2=O)CCSC 1 2.882 3 3 -12.3690608019884 3967596 CC(C1=CC=CC=C1)NC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3 1 3.528 2 4 -16.7592929634971 3967588 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)NCC4=CC=C(C=C4)F 1 2.107 3 3 -9.67479709688326 3967587 COC1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-] 1 4.035 5 7 0 -11.6375708402311 3967493 C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC=CC=C3Cl 1 4.329 1 3 -16.5365148349645 3967407 CC1=CC(=CC=C1)N2C(=O)C3C(C2=O)C4(C(=O)C5=CC=CC=C5C4=O)OC3C6=CC=CC=C6 1 3.592 1 5 2.03224045114885 3967325 CC1=CC=C(C=C1)C(=O)CCC2CCCCC2=O 1 3.672 0 2 -5.83821315526946 3967318 C1CCC2(CC1)C(=O)C3(CCCC3)C(OC2=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.669 1 5 -6.77522265807248 3967222 CC(C)N(C1=CC=CC=C1)C(=S)NC2CC3CCC2C3 1 5.193 2 0 -5.58731832368554 3967167 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-] 1 0.208 2 9 0 -23.1011114336836 3966969 CCC1=CC=C(C=C1)C(=O)CN2C(=O)C(N(C2=O)C3=CC=C(C=C3)C)C 1 3.996 2 3 -9.87878105246446 3966922 C1=CC(=CN=C1)C2=NN=C(O2)SCC(=O)NC3=NC=CS3 1 0.695 5 2 0 -15.0452607055422 3966874 CC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 2.291 3 2 -8.39843152230547 3966817 CCOC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)C4=CC=CC=C43)C)C#N 1 3.181 2 2 -16.288565068076 3966781 CN(C1=CC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3 1 3.36 3 4 0 -12.3225736631325 3966694 CC1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.067 2 4 0 -6.80525822823207 3966645 CC1=C(C2=C(N1)C=CC(=C2)OC(F)(F)F)CCNCC3=CC(=CC=C3)[N+](=O)[O-] 1 5.725 3 3 2.75487713574388 3966633 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O 1 1.676 4 5 0 -12.2739710982236 3966609 CC(=O)NC1=CC=C(C=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 3.332 4 3 0 -8.05659877559941 3966561 CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=C(C=CC(=C4)OC)OC)C(=O)C5=CC=CC=C5 1 4.64 3 3 -16.5822557109584 3966362 CC(C)(C)C1CCC(=NNC(=O)C2=CC3=C(S2)CCCC3)CC1 1 4.91 2 1 -12.4833865107791 3966312 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5 1 0.758 3 8 0 -17.756670879308 3966276 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=CC=C3 1 2.335 3 5 0 -16.4863811452456 3966275 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2C(=O)C(NC2=O)CCC3=CC=CC=C3 1 1.295 4 5 0 -15.0032643068164 3966236 CCCC1=NC2=C(C(=N1)SCC(=O)O)SC(=S)N2C3=CC=CC=C3 1 5.618 3 2 -15.6476719224552 3966223 CC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=N2)C 1 2.68 3 1 -2.0881748162925 3966121 CC1CCCCC1NC(=O)COC(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 2 5 3 0 -21.4037611152564 3965995 CC(=NNC1=NC2=CC=CC=C2S1)C3=CC(=CC=C3)NC(=O)C 1 2.537 4 1 -1.80302503303488 3965985 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 0.778 6 4 0 -18.494060583403 3965979 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F 1 4.282 3 3 -19.869868870316 3965976 CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=N4 1 4.155 3 1 -2.98443652044875 3965885 CCCNC=C1C(=O)CC(CC1=O)C2=CC=CC=C2 1 1.867 1 2 0 -12.0689581886544 3965881 COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.657 4 3 0 -3.51269783108634 3965808 C1=CC(=CC=C1C(=O)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)F 1 4.166 4 5 0 -2.06741896658978 3965785 CCCCN1C2=C(N=C1C3=CC=NC=C3)N(C(=O)NC2=O)CC(C)C 1 2.989 5 2 0 -8.65892513423577 3965726 CC1CCCCN1C(=S)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N 1 4.278 6 1 0 -7.87374682071487 3965652 C1=CC(=C(C=C1Cl)Cl)OC2=CNC(=S)NC2=O 1 2.675 2 2 -2.35155545734104 3965509 COC1=CC2=C(C=C1)C=C(C(=NC3=CC=CC=C3)O2)C(=O)N 1 2.682 2 3 -1.82111838733927 3965500 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(C=C2)NC4=C3CCCC4 1 2.135 2 5 0 -14.7495993447223 3965439 CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 2.126 2 5 0 -22.0688680824784 3965403 COC(=O)C1=CC=CC(=N1)C(=O)NC2=CC=C(C=C2)F 1 2.381 2 3 -10.6883742539107 3965361 C1=CC=C(C(=C1)CSC2=NN=CN2NCC3=CC=CS3)F 1 3.103 4 0 -11.8544627539933 3965311 CC1=CC=C(C=C1)N2C(=O)CC(C3=C2CC(CC3=O)(C)C)C4=CSC=C4 1 3.939 1 2 -14.3626471438869 3965305 C1=CC(=CC=C1N)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.432 3 5 0 1.02362174750987 3965258 CC1CCN(CC1)C2=CC(=C(C=C2F)[N+](=O)[O-])Br 1 4.009 2 2 -1.55205386738064 3965213 COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=NNC3=CC=CC(=C3)C(=O)O 1 4.501 2 5 0 -2.5641217031238 3965153 CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)OC)COC3=CC=CC=C3 1 3.698 4 3 0 -17.4655023272668 3965046 COC1=CC=C(C=C1)CCNC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 4.51 2 3 -16.2074852079346 3965039 CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=NO)OC)OC 1 3.432 2 3 -7.48864341338295 3964807 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 0.494 3 4 0 -11.4830885820735 3964749 CC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC3=CC(=CC=C3)OC)CCC(=O)O 1 4.036 2 4 -9.29998543488651 3964693 CCC(C)(C(=O)NC1CCCCC1)N(CC2=CC=CO2)C(=O)C3=CC=CC=N3 1 3.524 3 3 -19.391526911794 3964655 C1CCC(CC1)(C(=O)NC2CCCC2)N(CC3CCCO3)C(=O)CC4=CC=CS4 1 3.98 2 3 -26.2481621283149 3964482 C1CCC(=NNC(=O)CN2C3C(NC(=O)N3)NC2=O)C1 1 -1.226 6 3 0 -15.8714757969819 3964480 CC(C)N1C(=O)C2C(C1=O)C(NC2C3=CC=CC=C3O)(CCSC)C(=O)O 1 -1.695 2 5 0 -0.984625708374354 3964429 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CC=C2)N(C)C 1 3.645 2 3 -17.4180664760447 3964413 CC[N+]1=C(NC2=CC=CC=C21)P(=O)(C3=CC=CC=C3)[O-] 1 1.992 2 2 0 1.88823253431247 3964383 CC1=CCC(CC1=NNC(=O)COC2=CC=CC3=CC=CC=C32)C(=C)C 1 4.339 2 2 -5.62823426427881 3964354 CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)S(=O)(=O)N3CCOCC3 1 0.626 6 4 0 -24.2341948769684 3964348 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC(=C3)C 1 2.635 2 3 -11.3112571822102 3964339 CCC(C)NC(=O)CSC1=NN=C(O1)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4 1 4.608 4 2 -22.4739830069468 3964323 CC1=CC=CN2C1=NC(=C2NC(=O)C3=CC=CS3)C4=CC=CC=C4 1 4.28 3 1 -6.17406011101181 3964286 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 3.675 3 5 0 -13.59697136822 3964190 C1C2CC3CC1CC(C2)(C3)C4=CC=C(O4)C(=O)N 1 2.928 1 2 3.04990640939234 3964148 COC1=CC=C(C=C1)NC(=O)CCCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.685 2 5 0 -18.9164511557339 3964071 CCN(CCO)C(=S)NC1=C(C=CC(=C1)S(=O)(=O)N(C)C)C 1 2.46 3 3 -15.3311137431686 3964070 CC1=CC(=O)NC(=C1C#N)SCC(=O)NC(C)C2CC3CCC2C3 1 2.486 3 2 -18.4995745761057 3963948 CC(=NNC(=O)C1COC2=CC=CC=C2O1)C3=CC=CC=N3 1 1.714 3 3 0 -3.80371635206414 3963866 CC1=CC=C(C=C1)C(=O)OCC(=O)N2CCOCC2 1 1.125 1 4 0 -11.4291406848264 3963807 CC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C 1 -0.602 4 7 0 -28.4643615304326 3963804 CC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2 1 0.555 1 6 0 -16.5872176624501 3963803 COC1=CC=CC=C1NN=CC2=CC3=C(C=C2)OCO3 1 3.2 2 3 -2.36722037787871 3963752 CC(=O)NC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)C3=CC=CC=C3 1 1.904 3 4 0 -25.3573872424496 3963592 CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C(=O)OCC 1 3.082 4 5 0 -26.8314121420015 3963520 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3CCCN3S(=O)(=O)C4=CC=CC=C4F 1 2.607 3 8 0 -20.2780270612321 3963467 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)CN4C=C(C=N4)[N+](=O)[O-])C(=O)C1)C 1 2.422 5 5 0 -27.3196785126694 3963433 CN(C1=C(C(=O)N(N=C1)C2=CC(=C(C=C2)F)Cl)Cl)N=CC3=CC=NC=C3 1 2.58 5 1 -0.86168378744802 3963383 C1=CC=C2C(=C1)C(=NS2(=O)=O)NN(CCC#N)C(=O)C3=CC=CC=C3Br 1 2.386 4 3 0 -10.261114285551 3963369 CCOC(=O)C1C(C(=NN1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC 1 2.818 2 4 -8.89274924292107 3963248 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.656 3 6 0 -26.2191860088163 3963201 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC(=O)NC3CCS(=O)(=O)C3 1 1.578 3 5 0 -21.2304261290701 3962956 CCC(CO)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)C 1 4.698 2 4 -16.6470346649123 3962951 COC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 0.578 3 7 0 -29.9413974587209 3962931 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 0.254 4 6 0 -16.4128215983536 3962922 C1CC(CN(C1)C2=NC(=C3C(=C2C#N)C4=C(N=C3N)N(C(=O)C4)C56CC7CC(C5)CC(C7)C6)N)O 1 1.81 7 2 0 -6.38090296893664 3962921 CN1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2CC4=NC(=CS4)C5=CC=C(C=C5)[N+](=O)[O-] 1 3.072 6 3 0 2.30371504698211 3962842 CNC1=C(N=C(O1)C2=CC=C(C=C2)Cl)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 5.936 2 2 3.281549100616 3962793 CC(C(=O)NC(=O)NC1CCCCC1)NC2=C(C=C(C=C2)F)F 1 3.232 3 2 -8.86573992461154 3962544 CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=C(C(=N2)C)C)C)[N+](=O)[O-] 1 3.182 4 3 0 -10.2986157374257 3962479 CCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NCCC3=C(NC4=C3C=C(C=C4)OC(F)(F)F)C 1 6.496 2 3 -5.37698601838316 3962514 CCN1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C 1 1.044 4 3 0 -10.2007289747647 3962495 CN(C)C1=CC=C(C=C1)C(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.353 4 2 -4.10604273949703 3962490 COC(=O)C1=CC=C(C=C1)CN(C2=CC(=C(C=C2)C(=O)O)O)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.909 2 9 0 -13.1613723924297 3962444 CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC 1 4.464 2 4 -7.60585494280819 3962358 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(F)(F)F)NC(=O)C3=CC=C(C=C3)F 1 3.389 2 4 -20.1754284286433 3962313 C1CC(OC1)CNC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CO4)C(F)(F)Cl 1 3.008 4 3 0 -15.5952067853044 3962287 C1COC(=O)C1SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F 1 3.749 2 3 -7.10763995098761 3962160 CCCN(C(=O)CC1=NC(=NN1)N)C2(CCCCC2)C(=O)NC3=CC=CC=C3C 1 3.142 6 2 0 -16.0402100878378 3962106 CN1C(=O)C(=CC2=CC=C(C=C2)N3CCCCCC3)C(=O)N(C1=O)C 1 2.811 3 3 -6.32793490982161 3962105 CCN1C(N2C3=CC=CC=C3N=C2C4=CC=CC=C41)C5=CC=CS5 1 5.548 3 0 -2.06941307784281 3962061 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC(C)C3=CC=CC=C3 1 2.313 3 3 -12.5081719977456 3962059 CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.595 4 6 0 -16.5748159608748 3962040 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C=C(C=C(C3=O)Cl)C(F)(F)F 1 1.08 3 5 0 -22.40136446725 3962011 CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2)S(=O)(=O)N3CCOCC3 1 1.521 2 7 0 -29.2463135661251 3961833 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.091 3 5 0 -23.0430541539915 3961832 C1CC(OC1)CN2C(=CSC2=NC3=CN=CC=C3)C4=CC=CC=C4F 1 3.001 3 1 -6.74416654476973 3961803 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3CCS(=O)(=O)C3 1 -0.392 3 6 0 -20.6630188041609 3961753 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CS3)N(C1=O)C 1 1.378 3 3 0 -9.88695484876709 3961710 COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCO2)S(=O)(=O)NC3=CC(=C(C=C3OC)OC)Cl 1 2.206 2 9 0 -25.9747436049545 3961677 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(O3)C4=CC=CC=C4Cl 1 3.299 3 4 0 -15.8317691172427 3961568 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CS(=O)(=O)C3=CC=CC=C3 1 1.545 6 5 0 -29.2922181332486 3961463 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CO4 1 2.533 4 3 0 -22.5447605328154 3961412 CCCNC(=O)COC(=O)CCC(=O)C1=CC=CS1 1 1.526 1 4 0 -20.9040360559138 3961342 CC(C(C(C(C=NNC(=O)C1=CC=CC=C1)O)O)O)O 1 -0.809 2 5 0 -6.84070240525371 3961325 CC(=NNC(=O)COC1=CC=C(C=C1)C(C)(C)C)C2=CC=C(C=C2)OC(F)F 1 4.705 2 3 -1.89174107792738 3961316 CCCC(C)NC(=O)CSC1=NN=C2N1C=CC=C2 1 2.454 4 1 -22.7629530718288 3961312 CC(C)C(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=CS3 1 2.38 5 1 -8.63478510191438 3961265 CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)N(C)C3CCS(=O)(=O)C3)C)C 1 3.329 2 3 -16.14732281172 3961170 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)OC 1 3.151 4 4 0 -13.5900120148279 3961165 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.692 4 3 0 -9.40881551547781 3961110 CCCC(=NNC(=O)C1=CC=CC=C1C)C2=CC=CC=C2 1 4.273 2 1 -12.3612932805693 3961056 CC(C)(C)C(=O)COC(=O)CNC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2 1 3.433 1 5 -12.3619343828925 3961030 CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2)C 1 3.202 1 4 -15.4128238976272 3960982 C1=C(C=C(C(=C1Br)NC(=O)CSC2=NNC(=N2)N)Br)[N+](=O)[O-] 1 2.475 6 3 0 -7.78769869351425 3960923 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(C=C2)COC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 2.89 1 8 0 -23.4170916740847 3960713 C1COCCNC(=S)NCCOCCOCCOCCNC(=S)N1 1 0.429 4 4 0 -9.7295115658125 3960687 COC1=CC(=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NCC3CCCO3)[N+](=O)[O-] 1 1.562 4 6 0 -17.0331769309751 3960610 CN(C1=CC=CC=C1)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32 1 3.312 2 3 -12.0783288567648 3960609 CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3CCS(=O)(=O)C3)C 1 1.34 5 3 0 -30.4322023063217 3960591 C1CC1NC2=NN=C(CS2)C3=CC4=C(C=C3)OCCO4 1 2.422 3 2 -5.03814258016354 3960589 COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)NNC(=O)C3=CC=C(C=C3)F)OC 1 1.743 3 5 0 -11.4420023502683 3960566 CCCC(=O)NC1=CC=C(C=C1)NCC2=CC(=C(C=C2)OCC=C)OCC 1 4.398 2 3 -20.8321828673546 3960556 CC1=CC(=C(C=C1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C)C 1 3.563 2 6 0 -6.79993931824378 3960547 COC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCCCC2)[N+](=O)[O-] 1 2.661 2 6 0 -9.47041324942852 3960357 CC1=C(N(N=N1)C2=NON=C2N)C(=O)NNC(=O)C3=CC(=C(C=C3)Cl)Cl 1 1.669 8 3 0 -19.3464816984594 3960350 CCC(=O)N(CCC1(CCOC(C1)(C)C)C(C)C)C(C)C2=CC=CS2 1 4.358 1 2 -7.70495560230011 3960308 COC1=CC(=CC(=C1OC)OC)C2C=C(NC(=S)N2)C34CC5CC(C3)CC(C5)C4 1 4.614 2 3 -5.42880533343655 3960298 C1=CC=C(C=C1)P(=O)(COCCCCCOCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 1 7.421 0 4 -4.87304470101015 3960297 CC(=O)C(=NNC1=CC=CC=C1Cl)SC2=CC=CC3=C2N=CC=C3 1 4.742 3 1 -0.596981246715982 3960288 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4 1 2.27 4 5 0 -21.2496300498775 3960270 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 -0.183 2 8 0 -34.7392478670951 3960250 C1=CC=C(C=C1)NC(=O)C(=O)NCCC2=CNC3=CC=CC=C32 1 2.502 3 2 -13.3385934075907 3960103 CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CCNC(=O)C)C(=O)OCC 1 1.148 4 4 0 -19.9213764120488 3960096 C1=CC=C(C=C1)NC2=NC(=O)C3=C2C=CC(=C3)[N+](=O)[O-] 1 2.388 3 3 0.723235996495897 3959928 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C(NC3=O)CCC4=CC=CC=C4 1 1.271 5 4 0 -18.4572075893685 3959870 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCN3C=CN=C3 1 0.401 4 4 0 -22.0487472445285 3959818 COC1=C(C=C(C=C1)NC(=O)C2=CNC(=O)C=C2)S(=O)(=O)N3CCCCC3 1 0.438 3 5 0 -21.4078580480695 3959794 CCOC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 2.064 2 4 -10.7710370068611 3959703 C1CC2=C(C(NC(=O)N2)C3=CC=CC=C3[N+](=O)[O-])C(=O)C1 1 1.197 3 4 0 -26.0310460248165 3959697 C1=CC(=C(C=C1Cl)Cl)C(=O)NC2=NC=NN2 1 2.245 4 1 -3.19252376047866 3959653 C1CC(OC1)CNC(=O)COC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3 1 3.357 2 4 -13.4851393683737 3959621 CC1(CC2=C3C4=C(C(=NC=N4)N5CCNCC5)SC3=NC(=C2CO1)N6CCCC6)C 1 2.716 6 1 0 -13.4440945198596 3959497 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)S(=O)(=O)C5=CC=C(C=C5)F 1 1.903 4 4 0 -26.6821949527468 3959454 COC1=CC=C(C=C1)OP(=O)(C)NC2=CC=C(C=C2)SC(F)(F)F 1 5.035 1 3 9.25735391432974 3959394 CC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 5.468 3 1 -2.97816838738685 3959385 CC1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC)N(C)C(=O)CC3C(=O)NC(=O)N3 1 1.314 4 5 0 -20.9173868359853 3959352 C1=CC=C2C(=C1)NC(=N2)NN=CC3=CC=C(C=C3)C(=O)O 1 2.498 4 2 1.01164307354742 3959338 C1CN(CCN1CC2=CC=CC=C2)CC3=NN=C(O3)C4=CC=CC=C4 1 2.936 4 1 1.38347729163576 3959303 CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3Br 1 4.392 3 5 0 -4.02263217790862 3959232 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)CNC(=O)C3=CC4=C(C=C3)OCO4 1 2.078 5 4 0 -23.4739693021172 3959230 CC1=C(SC=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CC=C4 1 3.256 8 2 0 -23.2824452652647 3959151 CC1CN(CC(O1)C)CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O 1 3.316 1 3 -11.1177583804477 3959061 CC1=CC(=C(C=C1Br)Br)OCC(=O)NN=C(C)CC(=O)NCC(C)C 1 3.388 3 3 -9.98962627998932 3959050 CC1=CC(=C(C=C1)N(CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC=CS5)OC 1 4.895 2 4 -7.27163730266973 3958868 CC(C)NC(=S)NC1(CCS(=O)(=O)C1)C 1 1.096 2 2 0 -15.6675095572074 3958864 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)OCC(=O)NCC4=CC=CC=C4 1 3.372 3 4 0 -16.4082163267367 3958787 CCC(=NNC(=O)CSC1=NC=CC=N1)C2=CC3=C(C=C2)OCCO3 1 2.252 4 3 0 -13.3193910098483 3958817 CC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)F)N3CCOCC3 1 3.168 2 2 -13.4748372680604 3958676 CC1=NN(C(=C1)NC(=O)C2CCCC2)C3=NC4=CC=CC=C4N3 1 3.311 5 1 -1.56013085141974 3958666 COC1=C(C=C(C=C1)NC(=O)C2CC2)S(=O)(=O)N3CCOCC3 1 0.496 2 5 0 -18.0942436706678 3958662 CC1=CC=CC=C1OCC(=O)NN=CC2=CC(=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.353 4 7 0 -5.44207710385005 3958554 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 1.11 3 8 0 -20.2907446710056 3958462 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)NC4=CC=CC=C4Cl 1 4.219 3 4 0 -8.82661395049317 3958327 C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4 1 1.949 4 4 0 -11.320317901364 3958262 C1OC2=C(O1)C=C(C=C2)OC3=CC=C(C=C3)N 1 2.411 1 3 2.97172736916642 3958188 CCC1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br 1 3.802 1 2 -6.28458888812243 3958112 C1=CC=C2C(=C1)N=C(N2CC(=O)NCCC3=CC=C(C=C3)F)NCCO 1 2.06 4 2 -10.7176021684625 3958094 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl 1 2.42 3 3 -4.36580383067942 3958071 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)C4=CC=C(C=C4)F 1 1.732 4 6 0 -19.8708809004987 3958066 CC1=C(C=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)Cl 1 -6.7e-002 8 4 0 -27.5641165394487 3958009 COC1=CC=C(C=C1)CCN2C3=C(C=C(C2=N)C(=O)NCCN4CCOCC4)C(=O)N5C=CC=CC5=N3 1 0.968 6 4 0 -23.4542444404292 3958003 CC(C)CN1C(=CSC1=NC2=CN=CC=C2)C3=CC=CO3 1 3.024 3 1 -1.46908447751392 3957954 CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)OC)S(=O)(=O)N(C)C 1 2.399 2 6 0 -16.6986724207253 3957929 CCC1=NN=C(S1)NC(=O)C2COC3=CC=CC=C3O2 1 1.789 3 3 0 -10.888291531955 3957926 CC(C)CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC=C2)OC)C 1 2.149 3 4 0 -8.77244315606316 3957819 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC4=C(C=C3)OCCO4 1 2.41 3 5 0 -13.4480831021879 3957784 CCS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=S)NC4=CC=CC=C4 1 4.367 4 3 0 -16.4108359586853 3957771 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC4=CC=CC=C4 1 2.223 3 6 0 -28.9478964470479 3957701 CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC=CO4)OC 1 1.901 3 6 0 -19.9613143182103 3957667 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CC3=CC=CC=C3 1 3.087 3 3 -16.6972220816853 3957492 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 1.553 4 4 0 -16.3550548882431 3957471 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(O4)COC(=O)CC5CCCC5)OC 1 5.113 3 5 0 -12.4190246793757 3957440 CC1=CC(=C(C=C1)C)S(=O)(=O)NN=C2CCCC3=CC=CC=C32 1 4.12 2 2 -5.01587974156479 3957358 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(N=C2)Cl)Br 1 1.375 3 2 0 -8.47791094565665 3957204 CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3CC(=O)N(C3)CC4=CC=CO4 1 3.319 1 7 0 -20.9232844185903 3957199 CC(C(=O)NC1CCCC1)OC(=O)C2=CC=NC=C2 1 1.48 2 3 0 -11.3804655267609 3957135 CCOCCCNC(=O)C(C1=CC=C(C=C1)C)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=N4 1 3.418 3 5 0 -17.2221628727944 3957047 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC4=CC=CC=C4S3 1 2.774 3 3 -11.4071316031707 3957001 CC1CCCC(N1CC(C)OC(=O)C2=C(C=C(C=C2)Cl)Cl)C 1 5.202 1 2 -3.955798967241 3956990 C1CC(=NNC(=O)C2=CC=C(C=C2)CSC3=CC=CC4=C3N=CC=C4)CC(=O)C1 1 3.718 3 2 -12.7741387682784 3956916 CC(C)C(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC 1 3.793 1 3 -17.1765131050206 3956793 C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CC3=CC(=CC=C3)C(F)(F)F 1 3.325 1 4 -3.44788583059113 3956673 CCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)CC3=CC=CO3 1 1.407 2 4 0 -10.0153515729398 3956571 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)OC 1 4.021 4 5 0 -24.382453447158 3956566 CC1=CC(=NC(=C1C(=O)NCCC2=CC=CC=C2)Cl)Cl 1 4.025 2 1 -9.12633240573844 3956556 CC(COC)NC(=O)CSC1=NC2=CC=CC=C2N1CCC3=CC=CC=C3 1 3.846 3 2 -21.0711655395703 3956461 CC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)S(=O)(=O)N3CCCCC3 1 0.979 2 7 0 -32.8965728458278 3956414 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F 1 2.297 2 6 0 -21.9099066388909 3956296 CC1=C(C=CC=C1Cl)NC(=O)CNC(CC2=CC=CC=C2)C(=O)OC 1 3.318 2 3 -7.77326877001131 3956280 CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)O)C(=O)C3=CC=CC=C3 1 3.659 2 2 -22.0451782882964 3956272 CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)NCC2=CC=CC=C2 1 1.184 1 3 0 -3.06592389142131 3956240 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)C3=CC(=C(C=C3)OC)OC)C 1 2.785 2 5 0 -9.68148248556389 3956211 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=N3 1 1.926 3 3 0 -19.784449104064 3956208 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl 1 2.582 3 3 -3.64408520581819 3956095 C1CS(=O)(=O)CC1NC(=O)CSC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.135 2 4 -11.0571581444618 3955882 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4 1 2.2 4 3 0 -23.73454323224 3955879 CC1=CC=CC=C1N2C(=O)C3C4CC(=O)C(C3C2=O)C5=CC=CC=C45 1 2.468 1 3 -5.11363955449611 3955862 CC(=O)NCC(=O)N(CC1=CC=CO1)C2(CCCCC2)C(=O)NC3CCCC3 1 1.794 3 4 0 -23.4720956587385 3955830 C1CC(OC1)CNC(=O)C(=O)NN=CC2=CC=C(C=C2)OCC3=CC=CC=C3Cl 1 2.963 3 4 0 -14.5662464034611 3955759 COC1=CC=C(C=C1)C=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 4.4 2 3 -6.44979767157155 3955757 C1C=CCC2C1C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 3.191 2 4 -4.35004138237262 3955723 C1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N 1 1.668 2 5 0 -15.2062508427597 3955718 CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3CCS(=O)(=O)C3 1 1.678 5 3 0 -18.4267850054498 3955717 CC(=NNC1=C(C=C(C=N1)Cl)Cl)C2=CC=C(C=C2)N3CCOCC3 1 3.996 4 1 1.92719200703522 3955702 CCN(CC)CCCN(CC1=CC=C(O1)C)CC2=CC=C(O2)C 1 3.04 2 2 -0.300727701932176 3955456 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC 1 1.96 3 5 0 -16.4459477198635 3955385 CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)C2=CC=CS2 1 3.275 2 3 -7.74794504531507 3955363 C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NCC4=CC=C(C=C4)F 1 3.281 2 3 -9.13174010607074 3955362 CC1(CC1(Cl)Cl)C(=O)NC(=S)N(CCC#N)C2=CC=CC=C2 1 3.846 3 1 -10.864581631465 3955340 CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)NC3=CC=CC=C3C(F)(F)F 1 3.377 3 3 -11.9838725540528 3955294 CC(=O)NC1=CC=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)C3 1 2.661 2 2 -8.68229414035503 3955259 CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NN=C(C)C3=CC=CC=N3 1 3.841 3 3 -6.93988689189951 3955121 CC1=CSC(=N1)SCC(=O)NC2=NN=CS2 1 0.761 4 1 0 -18.0386787111778 3955070 C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC3=CC(=CC=C3)C(F)(F)F 1 4.995 1 2 -4.76370453382878 3954949 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2CCCC3=CC=CC=C32)Cl 1 2.94 3 3 -17.8950680345266 3954948 CC1CCCCN1C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-] 1 1.411 4 4 0 -13.1982908132274 3954861 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2CCN(CC2)C3=CC=CC=C3O)N 1 1.782 6 4 0 -5.85691957756513 3954803 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3)Cl 1 2.367 4 3 0 -6.68768779909857 3954688 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 1.59 4 5 0 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3953937 CC(=O)C(=NNC1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)SC(F)F)C(=O)NC3=CC=C(C=C3)OC 1 4.397 4 5 0 -4.7243789740769 3953932 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)SCC(=O)N4)Cl)C 1 4.087 3 4 0 -16.850634873524 3953858 CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4 1 1.673 2 6 0 -20.5631204363336 3953791 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)NC3=CC(=CC=C3)Cl 1 3.885 3 3 -14.0788001779752 3953544 CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2CC2 1 2.458 2 5 0 -12.4148455066568 3953537 CC(=NOCC1=CC=CC=C1C#N)C2=CC3=CC=CC=C3O2 1 3.733 2 2 1.39022225127902 3953394 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C4N3C=CC=C4 1 1.129 5 4 0 -30.9772306888843 3953264 CC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC=CO3)C4=CC=C(C=C4)NS(=O)(=O)C 1 3.208 3 4 0 -9.22803193647511 3953130 CCC1CCC(CC1)C(=O)NNC(=O)OC 1 2.02 2 3 -12.2105106795912 3953029 C1=CC(=CN=C1)C(=O)NNC(=O)C2=CC=NC=C2 1 -0.43 4 2 0 -7.13742778635311 3953019 CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N(C)C 1 2.544 2 6 0 -16.2986068807552 3952899 CCCC(C)NC(=O)COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C 1 1.362 2 5 0 -20.3114125834265 3952898 CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NCC2=CC(=CC=C2)OC 1 3.867 2 3 -20.3757975988633 3952745 CC1=C(C(=CC=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)N=CC4=CC=CC=C4OC)C 1 5.587 5 6 0 -11.971475782329 3952725 CCC1CCCCN1C(=S)NC2=CC=C(C=C2)C(=O)C 1 4.606 2 1 -14.2138311482127 3952658 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl)C3=CC=C(C=C3)F 1 2.223 4 5 0 -12.1559563273427 3952630 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)NCCC3=CC=C(C=C3)Cl 1 2.109 5 3 0 -16.7848091773682 3952621 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=CC=CC(=C5)C(=O)O 1 3.829 5 5 0 -25.696744910092 3952581 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCOC3=CC=CC=C3F 1 2.327 1 6 0 -22.4512416934696 3952556 CCCN1C(=O)C(=C2N(C(=O)C(=C3C=CC4=CC=CC=C4N3CC)S2)C5=CC=CC=C5)SC1=S 1 6.014 3 2 -5.1009825976456 3952446 CC1=CC(=NC(=N1)SC2CC(=O)N(C2=O)C3=CC(=CC=C3)OC)C 1 2.358 3 3 -1.05469626254837 3952413 CC1=CC(=C(C=C1NC(=O)CN(C)CC2=CC(=CC=C2)F)OC)[N+](=O)[O-] 1 3.109 3 4 0 -7.14844462964874 3952383 CN1C(=NN=N1)SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC 1 2.582 6 3 0 -23.5656503871567 3952348 CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5 1 2.952 5 4 0 -29.1344782847493 3952315 C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3)F 1 1.903 4 2 0 -14.6221234964095 3952296 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=C(C=C4)F)S(=O)(=O)C5=CC=CC=C5 1 3.128 4 3 0 -19.7214623677366 3952248 COC1=CC=C(C=C1)NC(=O)C2=C3N(C(=O)CS3)C(=C(C2C4=CC=C(C=C4)Cl)C#N)N 1 2.93 4 3 0 -15.5425671567706 3952204 C1C2CC3CC1CC(C2)C3=NNC(=O)C4=CC=CS4 1 3.047 2 1 -3.06498104535505 3951768 COC1=C(C=C(C=C1)C2=NN3C(=NN=C3SC2)C4=CC=NC=C4)OC 1 2.536 5 2 0 -4.80416859360126 3951631 CCOC1=CC=C(C=C1)C=NOCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.432 2 5 0 -6.05986290676858 3951575 CC=NNC(=O)CCCC(=O)NN=CC 1 -1 4 2 0 -10.8178421485021 3951571 C1CCC(CC1)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)C2=C(C=CC=C2F)F 1 1.557 3 6 0 -15.3160048747116 3951473 C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.297 2 4 -13.967546570713 3951466 C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 0.978 3 6 0 -18.1724344381972 3951460 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC3=NN=C(O3)C4=CC=CC=C4)C 1 3.237 2 5 0 -12.9622255222084 3951459 C1=CC=C(C=C1)C(=NNC2=CC(=CC=C2)Cl)CC3=NC4=CC=CC=C4N3 1 5.715 4 0 2.84637195709556 3951446 CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=CC=CC=[N+]2[O-] 1 1.931 3 4 0 -10.012752227392 3951366 CC1=CC(=C(C=C1)C(=O)NN=C(C)C2=CC3=C(C=C2)SC4=CC=CC=C4N3)C 1 5.474 3 1 -6.99124952831088 3951237 CC1=CC=CC(=C1)C=NNC2=NC3=CC=CC=C3C=C2 1 4.023 3 0 6.48317377284799 3951213 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3 1 0.941 2 8 0 -29.4920720700278 3951109 C1=CC(=CC=C1NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])[N+](=O)[O-] 1 0.221 3 6 0 -14.5163506753903 3951051 COCCNC(C1=CC=CC=C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl 1 3.337 2 2 -9.64291238469603 3951038 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.322 3 8 0 -28.3061576158171 3951034 C1CN(CC=C1C2=CC=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3 1 4.226 3 1 -7.43063400792896 3950926 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CO3)C(=O)C4=CC=CC=N4 1 4.133 3 3 -20.3245509452745 3950745 COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)N4CCOCC4 1 3.863 2 5 0 -12.8076367003364 3950674 CCC1=NN=C(S1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC 1 1.55 4 3 0 -21.546151372508 3950623 C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NCC4=CC=CC=C4 1 2.572 2 2 -12.7606383958464 3950572 CCC(C)(C(=O)NC1CCCC1)N(CC2=CC=CS2)C(=O)C3=CC=CC=N3 1 3.626 3 2 -18.4661843315612 3950542 COC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O 1 2.837 2 6 0 -14.6897991773256 3950518 CCC1=CC=C(C=C1)C(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O 1 3.456 2 3 -4.66388535321803 3950486 CC1CC2=CC=CC=C2N1CC(=O)NC(=O)NC(C)(C)C 1 2.215 3 2 -12.8826267145119 3950427 CC1=CC(=NO1)NC(=O)CC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.643 3 4 0 -21.3521123844203 3950396 C1CCCN(CC1)C2=C(C=C(C3=NON=C23)[N+](=O)[O-])NCCO 1 2.099 5 4 0 -1.71259561703398 3950389 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C 1 1.64 4 4 0 -9.719069587364 3950362 CC(=NNC(=S)NC)C1=CC(=C(C=C1)Cl)Cl 1 3.54 3 0 -6.24666714332913 3950346 COC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)NC3CCS(=O)(=O)C3 1 2.603 1 5 -9.35320281833234 3950334 COC1=CC=C(C=C1)CCNC(=O)C2=CC(=CN(C2=O)CCC3=CC=C(C=C3)OC)C(=O)C4=C(C=CC(=C4)Cl)O 1 4.613 2 6 0 -3.7450195598243 3950273 CN1C=NN=C1SCC2=C(C(NC(=O)N2)C3=CC=C(C=C3)F)C(=O)OC 1 1.223 5 3 0 -32.8384565695134 3950308 C1=CC=C2C=C(C=CC2=C1)OCC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.77 2 6 0 -12.4258836573496 3950292 CC1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3)O 1 3.648 1 6 0 -7.40865219068686 3950035 CC(=NNC(=S)NC1=CC=CC=C1OC)C2CCCCC2 1 4.502 3 1 -7.89828996048141 3949948 CCOC(=O)CC1=C2C(C(=C(OC2=NN1)N)C#N)CC3=CC=CC=C3 1 2.831 4 3 0 -11.4889020925812 3949938 CCN1C(=O)C(N(C1=S)NC(=O)C2=CC=NC=C2)CC(=O)NC3=CC=C(C=C3)OCC 1 1.657 5 4 0 -15.2350583535341 3949935 CC1CCC2=C(C1)SC3=NC=NC(=C23)NS(=O)(=O)C4=CC=CS4 1 3.56 3 2 -10.2895195567598 3949894 CC(C)N(C(=O)NC(=O)NC1=CC=CC=C1OC)S(=O)(=O)C 1 1.216 3 5 0 -3.9212047605912 3949859 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C 1 3.062 2 5 0 -24.6574006496919 3949774 CCN1C(=NN=C1SCC(=O)N(C)C2CCS(=O)(=O)C2)C3=CC=CS3 1 1.483 4 3 0 -24.8280502718699 3949696 COC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl)OC 1 3.867 1 3 -11.5892615554146 3949646 C1COCCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-] 1 2.571 3 4 0 -10.5681043501324 3949547 CC1=NN=C(S1)SC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C 1 3.449 6 2 0 -14.1806934970664 3949502 C1=CC=C(C(=C1)C(=O)NN=CC2=CN=CC=C2)OCC3=CC=C(C=C3)Cl 1 3.764 3 2 -3.31260787400249 3949499 CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 1.97 1 5 0 -18.8795916137838 3949457 CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C2=C(C=C(C=C2)C)C 1 0.835 2 5 0 -21.2653820031017 3949439 CC(C)C(C)(C#N)NC(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3 1 5.251 5 1 -8.969691850741 3949408 C1CC(=O)NC1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 -0.795 3 5 0 -25.2486336143861 3949403 COC(=O)CCC(=O)NNC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl 1 2.011 2 5 0 -14.5058229659988 3949395 CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 3.972 1 5 -10.8818567036239 3949394 CC1CN2C(=NN=C2S1)C3=CC(=CC=C3)N 1 1.857 4 0 0 0.553553252141065 3949284 CC(C(=O)NN=CC1=CC(=C(C=C1)N(C)C)Br)N(C2=CC=CC=C2)S(=O)(=O)C 1 3.046 4 3 0 -9.90014233026814 3949277 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)COC3=CC=C(C=C3)Br 1 2.691 1 6 0 -12.8672095818122 3949258 CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)N)S(=O)(=O)N3CCOCC3 1 0.375 6 4 0 -21.7665217166828 3949226 CCCC(=O)N(CC1=CC(=O)NC2=CC=CC=C21)C3=CC=CC=C3C 1 3.731 2 2 -17.541851186928 3949143 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=CS2)C3=CC=C(C=C3)C(C)(C)C 1 2.859 3 3 -10.9272615490429 3949117 CC1=CSC(=N1)NC(=O)CN2C(=O)C3CC=CCC3C2=O 1 0.351 3 3 0 -8.37269924598895 3948972 CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.932 3 5 0 -18.450785456604 3948924 C1COCCN1C2=C(C(=NC(=N2)NC3=CC=CC=C3F)N)[N+](=O)[O-] 1 1.766 6 3 0 -2.1267752930647 3948911 CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)OC(=O)C2=CC(=C(C=C2OC)OC)OC 1 3.699 1 6 0 -10.028798869354 3948858 CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 4.824 1 4 -11.4853820320351 3948768 CC1=CC(=C(C=C1)[N+](=O)[O-])NC2C(C(C(O2)CO)O)O 1 0.374 2 6 0 -14.1407986243279 3948747 CC1=CC=C(O1)CNC2=NC3=CC=CC=C3N2C 1 2.34 3 1 -0.398726375844507 3948592 CC(C)CC(=O)NC1(C2=C(CC(CC2=O)(C)C)N(C1=O)CC3=CC=CC=C3)C(F)(F)F 1 3.482 2 3 -15.1623369581964 3948578 CC(C)OC1=CC=CC=C1C2NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCCO5 1 4.726 2 4 -13.8850703396488 3948495 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC(=CS3)C 1 1.429 3 3 0 -14.8392263988914 3948402 C1CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C1 1 1.197 3 4 0 -26.6949856376422 3948312 CC1=CC(=NC2=NC(=NN12)SCC3=NN=C(O3)C4=CC=CC=C4Br)C 1 3.693 6 1 0 -12.5233447601188 3948305 COC1=CC=C(C=C1)NC(=O)C2C(C2(Cl)Cl)C3=CC=CC=C3 1 3.41 1 2 0.182811209334831 3948032 COCCCN1C(=O)C(=CC2=CC(=C(C=C2)OC(F)F)OC)SC1=C(C#N)C(=O)N 1 1.948 3 5 0 -10.0493219065331 3947942 CC1=CC=C(C=C1)C(=NNC(=O)CNC2=C(C=C(C=C2)Cl)C)C 1 3.961 3 1 -7.41032097084175 3968786 CCOCCCNC(=O)C(C1=CC=C(C=C1)OC)N(CC2=CC=CS2)C(=O)CNC(=O)C 1 1.005 3 5 0 -19.4541537356419 3968690 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CC(=O)N(C3=O)CCC4=CC=CC=C4)C 1 2.9 3 4 0 -12.5277142213253 3968679 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NCCCN2C=CN=C2 1 1.433 5 2 0 -14.6760988996171 3968669 CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)NNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.426 3 7 0 -16.4759962534988 3968667 CC(=NNC(=O)C1=CC=CC=C1)C2=NC3=CC=CC=C3N2C 1 2.792 4 1 -6.34953891027562 3947888 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)NC(=O)C4=CC(=CC=C4)F 1 3.141 3 5 0 -7.4294186526891 3947815 CCCN1C(=O)NN=C1SCC(=O)NC2CCCC(C2C)C 1 2.978 4 2 -20.8712321902092 3947745 C1=CC=C(C=C1)C(CNCC(C2=C(C=C(C=C2)Cl)Cl)C3=CNC4=CC=CC=C43)O 1 5.735 2 1 3.74785536240758 3947743 CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=CC=CC=C2 1 3.556 1 3 -14.2089645464812 3947706 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-] 1 0.537 4 7 0 -22.6997035553979 3947664 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4 1 1.102 3 7 0 -27.7050544910377 3947657 C1C(CN(C1C(=O)OCC(=O)NC2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])O 1 1.599 3 8 0 -14.5261581331642 3947598 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)OC(=O)C2=C(C(=C(N2)C)C(=O)C)C)C 1 2.863 3 6 0 -23.1905406500093 3947537 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3 1 9.8e-002 2 8 0 -35.1641423996844 3947477 CC(C1CC2CCC1C2)NC(=O)COC(=O)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])O 1 3.791 3 8 0 -11.825313509827 3947443 CCCC(C)NC(=O)COC(=O)C1=CC(=C(S1)Br)Br 1 3.721 1 3 -16.1510656338932 3947440 CC1=C2C(=CC=C1)SC(=N2)NC(=O)CN3C(=O)C4CC=CCC4C3=O 1 2.182 3 3 -5.47859926706547 3947416 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl 1 2.569 2 4 -11.9454766329215 3947331 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=NNC(=O)CC2 1 1.214 4 4 0 -17.0414002605699 3947313 CCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br 1 4.5 1 4 -10.1793419490851 3947233 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC 1 2.348 4 4 0 -16.038724898268 3947227 C1C2=CC=CC=C2C(=N)N1C3=CC(=CC=C3)[N+](=O)[O-] 1 2.523 3 2 -5.96769445262119 3947202 CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)N)NC(=O)C2=CC=CO2 1 1.106 3 6 0 -22.7697149916341 3947077 CC1CN(CC(O1)C)C2=NC3=C4C(=C2C#N)C5=C(N=C4NC(=N3)C)N(C(=O)C5)C6=CC=CC=C6 1 2.356 7 2 0 -13.653592521479 3947072 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC(=C3C)C 1 3.33 2 5 0 -16.3479547069046 3947038 CC1=C(C=CC(=C1)F)NCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC 1 2.984 3 4 0 -21.4957571824996 3947032 CC1CCCN(C1)CC(=O)NCC2=CC=C(C=C2)C 1 2.686 2 1 -9.00134894513324 3947004 COC1=C(C=C(C=C1)C=NNC(=O)CCC(=O)NC2=CC=CC=C2)OC 1 1.986 3 4 0 -13.1905928266005 3946921 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)NC2=CC=CC=C2N3CCOCC3)C 1 2.91 4 4 0 -18.1536090205353 3946744 CC(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=CC=C3 1 2.862 4 4 0 -27.776433264304 3946656 CCC1CCCCN1C(=O)CSC2=NC(=O)C=C(N2)N 1 1.318 4 2 0 -19.2394022715951 3946532 COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.209 3 6 0 -9.17803602166384 3946489 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O 1 3.512 2 7 0 -18.2451715694099 3946416 C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=O)N(C=N4)C(C5=CC=CC=C5)C6=CC=CC=C6)N7CCOCC7 1 6.256 4 2 -11.7235361618281 3946415 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC3=CC(=CC=C3)Br 1 2.291 3 3 -15.0140133049279 3946399 C1C=NN2C1C3=CC=CC=C3N=C2SCC(=O)NC4=C(C(=C(C=C4)F)F)F 1 3.46 4 1 -15.2438775152588 3946330 CC(C)N(C1=C(C(=O)C2=CC=CC=C2C1=O)N)C(=O)C 1 0.317 2 3 0 -2.64735774397656 3946295 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)SC3=NN=C(S3)C 1 4.027 3 3 -14.1993804996254 3946238 COC1=CC=C(C=C1)C(CC(=O)N2CCCC2)C3=CC=C(C=C3)F 1 3.669 1 2 -6.78190118408359 3946207 CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)S(=O)(=O)NC4=CC=CC=C4OC 1 1.494 6 6 0 -26.4505127760796 3946151 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C(S3)NC4=CC=CC=C4 1 2.97 5 3 0 -27.1209450497661 3946061 CC1(CC2=C(CO1)C=C3C4=C(C(=O)N(C=N4)CC(=O)NCC5=CC=CC=C5)SC3=N2)C 1 2.404 4 3 0 -28.2786713420216 3946057 CC(C)CC(=O)NC1(C2=C(CC(CC2=O)(C)C)N(C1=O)CC(C)C)C(F)(F)F 1 3.09 2 3 -17.9565597875976 3946039 CC1CCCCC1NC(=O)COC(=O)C2=C(ON=C2C)C 1 1.804 2 4 0 -19.7565447588106 3945961 C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N 1 1.159 2 5 0 -10.4288935912502 3945834 COC1=C(C=C(C=C1)[N+](=O)[O-])C=NNC(=O)CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.15 4 5 0 -17.8214457835455 3945413 COC1=CC=CC(=C1)C2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl 1 1.504 3 5 0 -3.32508707628972 3945398 C1CCC2(CCN(C(C2C1)C3=CC=C(C=C3)F)C(=O)C4=CC=CS4)O 1 3.709 1 2 -5.3923273769041 3945383 CC1=CC=CN2C1=NC(=C2NC(=O)C3=CC=CC=C3F)C4=CC=CC=C4 1 4.532 3 1 -7.05497464915065 3945324 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CC4=CC=C(C=C4)Cl 1 2.741 3 4 0 -17.8657999207972 3945257 CCC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=C(C=C2)F)C3=CC=C(C=C3)F 1 2.654 3 3 -11.0949782936851 3945252 C1CN(CCN1CC(COCC2=CC=CC=C2Cl)O)C3=CC=CC=C3O 1 3.313 2 3 0.847764592075589 3945202 C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=C(C=C2)F 1 3.311 1 3 -12.8622516800576 3945200 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCCC3 1 2.638 2 4 -14.1858311999558 3945193 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCCCC2C(=O)O)C)C 1 3.425 1 4 -8.80732827754102 3945181 CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=C(C=C3)OC 1 1.596 3 5 0 -8.80515555290058 3945180 C1=CC(=CC(=C1)F)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 1.903 4 2 0 -9.16575362662136 3945145 C1=CC(=CC=C1NN=NC2=CC=C(C=C2)S(=O)(=O)O)Br 1 3.665 3 3 3.97624187087703 3945141 C=CCOC1=CC2=C(C=C1)C3=C(C2=NO)C=C(C=C3)OCC=C 1 4.19 1 3 -6.40492668803666 3944939 C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCNCCO 1 3.01 2 2 0.883330342473036 3944840 COCC(=O)NC1(CCCCC1)C2=NN=NN2CCOC(=O)NC3=CC=C(C=C3)Cl 1 2.201 6 4 0 -17.0170816402612 3944818 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=S)NC2=C(C=CC(=C2)C)C 1 5.137 3 3 -18.3355393548934 3944816 C1CC(=O)N(C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)N 1 -0.1 3 5 0 -15.0171011884915 3944789 CN1CCC2=C(C1)SC(=N2)NC(=O)C3=CC(=CC=C3)OC 1 1.963 3 2 0 -6.73424019891536 3944710 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=O)NC5=CC=CC=C54 1 0.651 4 6 0 -25.256693034048 3944642 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)COC 1 1.26 2 6 0 -11.536284075602 3944588 CC1CC(CN(C1)C(=O)COC(=O)C2=CC=CNC2=O)C 1 0.313 2 4 0 -16.2282919232241 3944106 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=C(ON=C2C)C 1 1.683 3 6 0 -24.4437071819731 3944084 CC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=NC=C4 1 3.6 3 5 0 -13.404379974398 3944060 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4 1 2.697 4 3 0 -11.0995902902045 3943974 CC1=CC=CC=C1OC2C(N(C2=O)CC3=CC=C(C=C3)F)C4=CC(=C(C(=C4)OC)OC)OC 1 4.871 1 5 -2.7242533107107 3943943 CC(C1=CC=CC=C1)NC(=O)CCC(=O)NCC2=CC=C(C=C2)F 1 2.547 2 2 -19.09252151238 3943726 CN1C=CC=C1C(=O)OCC(=O)NC2CCS(=O)(=O)C2 1 -0.157 2 5 0 -18.215199525348 3943683 C1C(OC2=CC=CC=C2O1)C(=O)NCCC3=CC=C(C=C3)Cl 1 3.38 1 3 -3.90879510846028 3943636 CC1=C(C(=CC=C1)OCC(=O)N(CC2=CC=C(C=C2)F)C3CCS(=O)(=O)C3)C 1 3.348 1 4 -10.9213866104136 3943596 COC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-])Br 1 2.498 3 5 0 -10.7519719188586 3943573 CSCCC(C(=O)NC1=CC(=C(C=C1)F)Cl)NC(=O)N 1 1.481 3 2 0 -14.3794819563948 3943571 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=CC=C(C=C3)OC(F)(F)F)NC(=O)C4=CC=CS4 1 6.081 3 3 -12.2949387055065 3943425 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C43 1 4.956 3 5 0 -20.0459395301901 3943303 CCOC1=CC=C(C=C1)C(=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4)C 1 3.083 8 3 0 -29.0295415432536 3943203 COC1=C(C(=C(C=C1)C(=O)NC2(C(=O)N(C(=O)N2)CCCC3=CC=CC=C3)C(F)(F)F)OC)OC 1 3.613 3 6 0 -6.26884139879055 3943168 CCOC1=NC(=NC(=N1)NC(C)C)N2CC3CC(C2)C4=CC=CC(=O)N4C3 1 1.324 6 2 0 -8.3856695014096 3943166 C1=CC=C(C=C1)COC(=O)C2=NNC3C2C(=O)N(C3=O)C4=CC=CC=C4 1 1.755 3 4 0 -9.06883642853107 3943124 CCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)O)Cl 1 5.083 0 3 3.4504234188197 3943100 CC1CCCC(N1NC(=S)NC2=CC=C(C=C2)C(C)C)C 1 5.021 3 0 -5.33296051223065 3943047 COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NC4=CC(=CC=C4)F)OC 1 3.027 3 3 -2.91548662244465 3942941 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4 1 2.632 3 5 0 -9.94770259743507 3942647 C1=CC=C(C=C1)NN=C(N=NC2=CC=CC=C2)[N+](=O)[O-] 1 4.963 5 2 0 3.57336547143759 3942275 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC5=CC=CC=C5O4 1 3.713 3 5 0 -12.1396971828307 3942178 CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)NC5=NCCCCC5)C 1 5.545 5 4 0 -30.0549514449355 3942125 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCCO3)CCC4=CC=CC=C4 1 2.275 3 5 0 -9.69258896113872 3942074 COC1=C(C=C(C=C1)C(=O)NNC2CC(=O)N(C2=O)CC3=CC=CC=C3)OC 1 1.216 3 5 0 -13.2201589496707 3942056 C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.115 1 6 0 -15.097144285779 3942008 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC=CS3)F 1 0.622 3 4 0 -21.2992974506067 3941867 CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NN=C(N3C)C4=CC=C(C=C4)Cl 1 4.278 4 2 -16.0013117974447 3941746 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)F)Cl 1 4.124 4 5 0 -34.9142776627035 3941725 CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C)[N+](=O)[O-] 1 1.856 6 5 0 -23.1773860852448 3941719 CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(C)C)S(=O)(=O)N3CCCCCC3 1 6.537 3 2 -15.6673857116211 3941666 CC1(CC2=C(C(=O)C1)C(C(=O)N2C3=CC=CC=C3)(C(F)(F)F)O)C 1 2.368 1 3 -8.28478619925779 3941513 CC1=C(SC(=C1C(=O)OCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2)NC(=O)C)C 1 1.189 2 6 0 -27.302646469948 3941378 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CNC(=O)NC3=O 1 -0.526 4 7 0 -29.7141569315121 3941376 CC1=CC=C(O1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=C(C=C4)Cl 1 3.415 8 3 0 -21.4900201807495 3941302 CNC1=CC(=NC(=N1)F)F 1 1.554 3 0 0 -3.47372721185303 3941291 C1COCCN1C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3Cl)[N+](=O)[O-] 1 3.67 2 5 0 -9.93923064408496 3941258 CN1C(=NN=C1SCC(=O)N2CC(=O)NC3=CC=CC=C32)C(F)(F)F 1 1.481 5 2 0 -17.9583377686067 3941190 C1COCCN1C2=CC=C(C=C2)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-] 1 1.582 4 5 0 -8.19179148785791 3941128 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CN3C=NC(=N3)[N+](=O)[O-] 1 1.261 8 4 0 -18.7369165480602 3941062 CCOC(=O)C1=C(N=C(S1)NC(=O)C)C2=CC=CC=C2 1 2.39 2 3 -5.54095156476333 3941061 C1=CC=C(C(=C1)NC(=O)CCC(=O)OCC(C(F)F)(F)F)F 1 2.231 1 3 -15.228917989398 3941057 C1COCCN1C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)N5C(=O)C6=CC=CC=C6C5=O 1 2.278 3 5 0 -2.53189752551143 3941048 COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4CNC(=O)O4 1 4.315 4 3 0 -4.49562453611934 3941042 CC(C(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=CC=C(C=C2)Cl)NC(=O)N 1 2.1 4 4 0 -9.61454160730907 3940835 CCC1(C(=O)N(C(=O)N1)CC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4)CC 1 3.279 4 4 0 -11.401896369905 3940539 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 1.01 3 4 0 -13.672831206609 3940520 CC1=C(C=C(C=C1)N(CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)N)S(=O)(=O)C)Cl 1 1.64 4 5 0 -17.3405901021911 3940515 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)N(C)C3=CC=CC=C3 1 3.182 3 3 -9.20130362908674 3940466 CC(C)(CNC(=O)CCC1CCCC1)CNC(=O)CCC2CCCC2 1 4.224 2 2 -14.3210868862555 3940465 C1COCCN1CCNC(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O 1 -1.639 2 4 0 -6.72183312914902 3940451 CCCCC(=O)NC(C1=CC=CO1)C2=C(C=CC3=CC=CC=C32)O 1 4.103 1 3 -11.7751244044256 3940380 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.662 5 5 0 -18.0283241361668 3940285 C1=CC=C(C=C1)NC(=O)NNC(=O)CCCC(=O)NNC(=O)NC2=CC=CC=C2 1 0.737 6 4 0 -11.1444211286626 3940180 COC1=C(C=CC(=C1)C=NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCOCC4)OC(=O)C5=CC=CO5 1 3.443 7 5 0 -11.402516086866 3940056 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2C(=O)C3(CCC4=CC=CC=C4C3)NC2=O 1 1.333 4 5 0 -14.2748303129337 3940024 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NNC(=O)COC3=CC=CC=C3F)[N+](=O)[O-] 1 2.886 4 5 0 -11.4255085173241 3939859 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CSC2=C(C=CC(=C2)C)C 1 3.778 2 4 -20.6380624377102 3939689 CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC(=CC(=C3)OC)OC 1 3.611 3 7 0 -7.14315853277337 3939641 CCCCN1C(=O)CC2=C1N=C(C3=C(N=C(C(=C23)C#N)N(CCC)CCC)N)N 1 2.79 7 1 0 -10.475920830092 3939623 CC1CCCC(C1C)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C 1 4.544 3 2 -15.6483858444151 3939580 CC1=CC(=NC(=N1)N2C3=C(C=N2)C(=O)CC(C3)C4=CC(=CC=C4)Cl)C 1 3.703 4 1 -7.41953653584417 3939561 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(NC(=S)NC2C3=CC=CC=C3C(F)(F)F)C 1 4.847 3 3 -33.8987460042639 3939399 CC1=CC=CC=C1OCCC(=O)NC2=CC=C(C=C2)NC(=O)C 1 2.304 2 3 -8.46495267075556 3939390 C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C(N=CC=C4)Cl 1 3.545 1 3 -2.95292956901903 3939326 C1CCN(C(C1)C(=O)O)CC2=CC(=CC=C2)F 1 -0.392 1 2 0 -1.79426954671091 3939263 COC1=CC=C(C=C1)CNC(=O)COC2=C(N=CC=C2)[N+](=O)[O-] 1 1.723 3 5 0 -11.3896606799625 3939245 CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC3=CC=CC=C3N2C 1 4.415 3 1 -9.06948335733744 3939214 C1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl 1 3.41 2 1 2.04562203758925 3939207 COC1=C(C=C(C=C1)C2CC(=O)C(=CNCCN3CCN(CC3)C(=S)NC4=CC=CC=C4)C(=O)C2)OC 1 3.786 4 4 0 -26.0480643411644 3939095 COC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)OC2C3=CC=CC=C3 1 2.218 1 5 -6.26895426590985 3939055 CC1=C(C(NC(=S)N1CCOC)C2=CC(=CC=C2)C(F)(F)F)C(=O)N3CCOCC3 1 2.946 3 3 -16.2656296161398 3938757 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 1.572 5 5 0 -19.9522459251319 3938719 C1COC(=O)C1SC2=NN=C(N2C3=CC=CC=C3F)C4=CN=CC=C4 1 2.763 4 2 -4.04169617702909 3938639 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54 1 3.294 2 5 0 -16.6228240190957 3938625 CC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.419 3 2 -7.59437433100125 3938585 CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C)COC(=O)C3=CC=CS3 1 2.558 2 5 0 -6.38786663038202 3938542 C1CC(OC1)CNC(=O)COC(=O)C2=CC=CC3=CC=CC=C32 1 2.012 1 4 -14.8300630160442 3938498 COC1=C(C=C(C=C1)C=NNC2=NC3=CC=CC=C3O2)O 1 2.62 3 3 5.06950431738218 3938471 CCCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NCCC3=C(NC4=CC=CC=C43)C 1 4.832 2 2 -10.9676686256475 3938413 C1=CC=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC(=CC=C3)F 1 2.904 2 2 -4.49211289513228 3938248 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=S)N 1 -1.481 5 4 0 -15.8683601483595 3938083 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(O4)COC(=O)CC5CC6CCC5C6)OC 1 5.245 3 5 0 -5.88114658196314 3938003 C1COCCN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N 1 1.467 5 5 0 -27.3978705661509 3937999 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 0.463 4 6 0 -14.113219572206 3937862 CC1=CC=CC=C1NC2=NN=C(S2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OC 1 5.125 4 2 -11.683679605441 3937798 COCCCNC1=NC(=C(C(=N1)NC2=CC=CC=C2OC)[N+](=O)[O-])N 1 0.962 6 4 0 -3.37509657268845 3937699 C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)OCC(=O)N 1 2.702 2 3 -7.07823154687119 3937719 CC1CCCC(C1C)NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 3.616 1 6 0 -17.5427169500237 3937685 COC1=CC=CC=C1C(=O)NCC(=O)NC2CCCC3=CC=CC=C23 1 2.68 2 3 -14.8358258487951 3937679 CC1=CC(=NO1)NC(=O)CN2C(=O)C(NC2=O)CCC3=CC=CC=C3 1 1.317 4 4 0 -16.7506735110024 3937636 CC(=O)NC1=CC=C(C=C1)OC2=C3C4=C(CCCC4)SC3=NC(=N2)C5=CN=CC=C5 1 4.184 4 2 -5.53722215119798 3937605 CC(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.81 3 5 0 -5.67720072307025 3937591 C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=CC(=CC=C3)F)NC4=CC=C(C=C4)[N+](=O)[O-] 1 3.506 8 2 0 -2.01689033576896 3937576 C1C(CN(C1=O)S(=O)(=O)C2=CC=CC(=C2)C(=O)N)C3=CC=CC=C3 1 1.34 2 4 0 -14.435891127878 3937446 CCC(C)(C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2 1 2.237 3 4 0 -9.56699868519752 3937443 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)COC(=O)C(CCSC)NC(=O)C4=CC=CC=C4Cl 1 4.344 2 6 0 -27.7491612876262 3937438 CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C3=NN=C(SC3)NC(C)COC 1 4.232 4 1 -11.6588811862616 3937421 CC1=CC(=CC=C1)NC(=O)C(CCC(=O)N)NC(=O)OCC2=CC=CC=C2 1 2.281 3 4 0 -12.8518620259945 3937377 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=O)NC2=CC=CC=C2OC 1 2.237 5 6 0 -16.0127760939805 3937343 CC1=CC(=C(O1)C)C(=O)NN=C2CCCCCC2 1 2.259 2 2 -10.4746378136138 3937257 C1=CC(=CC=C1C(=O)CC(C(=O)O)SC2=CC=C(C=C2)Br)Br 1 4.989 0 3 -4.19045004550419 3937248 CCOC(=O)C1C(C2=C(C=CC3=CC=CC=C32)OC1=O)C4CCOC4=O 1 2.718 0 6 -6.92666689179592 3937241 COC1=CC=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C)C3=CN=CC=C3 1 1.285 5 3 0 -6.88153682806694 3937211 COC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4)OC 1 3.368 5 3 0 -17.9121160130816 3937160 CC(C(C1=CC=CC=C1)N2CCOCC2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.372 2 2 -6.8221244125453 3937125 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 1.871 2 6 0 -20.0273136451603 3937074 C1C(CN(C1C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O 1 0.983 3 6 0 -12.3050939511484 3937050 C1CN(CCN1C2=CC=C(C=C2)O)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 3.24 4 4 0 -21.265531395556 3937026 C1CCC(C1)NC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43 1 3.526 3 2 -7.82472489067911 3936979 CCN1C2=CC=CC=C2N=C1SCC(=O)N3CCCC3 1 2.71 3 1 -11.4353501727485 3936970 CC1CCCCN1C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 2.443 1 4 -11.5837360057548 3936928 CC1=CC=C(S1)C=NNC2=C(C=C(C=N2)Cl)Cl 1 4.265 3 0 7.64027514932898 3936920 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3F 1 2.285 2 4 -12.5259191922111 3936856 C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC(F)(F)F)Cl 1 3.703 3 5 0 -16.5095384935381 3936807 CC(C)C(C(=O)NC1=NCCS1)NC(=O)C2CCCCC2 1 2.951 3 2 -20.4821346695084 3936614 C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NCCOC3=CC=CC=C3Cl 1 3.513 2 3 -5.73276050328551 3936594 COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NC=CN=C3)Br 1 1.961 4 4 0 -10.3026131973147 3936591 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2COC3=CC=CC=C3O2 1 1.211 2 7 0 -11.7815036715394 3936563 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 2.63 3 5 0 -21.9042851894474 3936354 CC1CN(C2=NC3=C(N2C1)C(=O)NC(=O)N3C)C4=CC(=CC=C4)OC 1 1.668 5 3 0 -5.48711252267619 3936177 CC1=C(SC=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 2.171 2 3 -13.1511673933129 3936070 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NCCC3=CC=C(C=C3)OC 1 0.555 5 6 0 -25.4794583171288 3935972 COC1=CC=CC(=C1)C=C2C(=O)N(C(=C(C#N)C(=O)N3CCOCC3)S2)C4=CC=CC=C4 1 2.887 3 4 0 -11.8168982245548 3935963 COC1=CC2=C(C=C1)C(C3=C(O2)CCCC3=O)C4=C(CCCC4=O)O 1 2.541 0 5 -6.6985079109101 3935732 CC1=NON=C1OCCNC2=CC=C(C=C2)[N+](=O)[O-] 1 1.791 4 4 0 -7.51148513857044 3935726 COC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CSC=C4 1 2.462 8 3 0 -23.7971113520082 3935614 C1=CC=C2C(=C1)C(=CN2)C(CNC(=O)CCCNC(=O)N)C3=CC=CC=C3Cl 1 3.007 4 2 -16.1297010240445 3935562 CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)OC)C 1 4.987 2 4 -2.3822311939098 3935379 C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC(=CC(=C3)Cl)Cl 1 4.025 4 1 -10.5141754318263 3935343 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C(C)N2C(=O)C3CCCCC3C2=O)C 1 2.547 2 7 0 -16.7829847694827 3935222 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CNC(=O)C3=CC=CO3 1 0.186 2 7 0 -16.6220948346363 3935216 CC1=C(C(=NO1)C)CN(C2=CC=CC=C2)C(=S)NC3CC4CCC3C4 1 4.933 3 1 -10.7254736880684 3935154 C1=CC=C(C=C1)C2=CN(C(=N2)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F)N 1 3.282 5 1 -9.91343065690664 3934876 CC(C)C(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)F 1 2.845 5 1 -5.02089793992654 3934862 COCCN1C2=CC=CC=C2N=C1SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 2.152 4 3 0 -22.8904226994697 3934828 CC(C)OC1=CC=CC=C1C=NNC2=CC=CC=C2[N+](=O)[O-] 1 4.053 3 3 -2.90885435538671 3934785 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=NC=CN=C3 1 0.406 5 4 0 -20.5224810541837 3934783 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)OC4=CC5=C(C=C4)C(=CC(=O)O5)C 1 5.732 2 3 -1.93089307438788e-002 3934765 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=C(C=C2)Cl)F)C3=CC=C(C=C3)OC(F)F 1 3.388 3 4 0 -2.19128516220984 3934723 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCCC3 1 2.654 2 3 -12.6939889833552 3934698 C1COCCN1C2=NC(=CS2)CC(=O)NN=CC3=CC=CC=C3C(=O)O 1 1.003 4 4 0 -8.367418416551 3934620 CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 3.806 2 3 -18.8264974524364 3934492 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NCCS3 1 3.444 3 4 0 -22.2646343858952 3934419 CC1=CC=C(C=C1)CNC(=O)COC2=CC=CC3=C2OC(C3)(C)C 1 3.583 1 3 -12.5648273930721 3934416 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)N 1 3.946 3 5 0 -18.7445618750887 3934411 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)CC(=O)NC3=CC=CC=C3F 1 2.535 5 3 0 -19.5721241307361 3934361 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C#N 1 3.407 4 4 0 -19.4954412601 3934333 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2CCS(=O)(=O)C2)C 1 0.473 2 7 0 -22.4330394860182 3934235 C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-] 1 1.757 3 5 0 -15.1461343668432 3934211 CS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)C4=CC(=CC=C4)F 1 3.379 3 3 -9.58429355771553 3934196 CCOC1=C(C=C(C=C1)C(=O)NNC2CC(=O)N(C2=O)CC3=CC=C(C=C3)Cl)OC 1 2.229 3 5 0 -12.0869544515328 3934135 C1=CC=C(C(=C1)C=NNC(=O)CCCO)[N+](=O)[O-] 1 0.81 3 4 0 -8.22588516842175 3934077 COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)CC(=O)OC 1 4.551 3 3 -13.1068004751081 3934060 CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)CCOC 1 4.528 5 6 0 -10.4216261173319 3934046 CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)SC3=NN=C(S3)NC4=CC=CC=C4 1 4.365 5 1 -4.26127158239055 3934010 C1=CC=C(C=C1)N2C(=O)C3C(C2=O)NN=C3C(=O)C4=C(C=CC(=N4)Cl)Cl 1 2.537 4 3 0 -8.92880440635538 3934008 CCOC1=C(C=C(C=C1)C=NNC(=O)COC2=C(C=C(C=C2)F)F)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 3.214 4 4 0 -8.44349971587681 3934007 CCOC(=O)C1=C(N=C(N(C1C2=CC=CC=C2)C)SC)C 1 3.085 2 2 -16.8626025442129 3933941 CC(C)N=C1C(=NN(N1O)C)[N+](=O)[O-] 1 0.198 5 3 0 -0.223774428370785 3933895 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)O 1 2.203 3 6 0 -14.9941068869035 3933866 C1COCCN1C2=CC=C(C=C2)C=NNC3=CC=CC=N3 1 2.687 4 1 2.19563727937726 3933787 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CN2C(=NC3=CC=CC=C3C2=O)CN4CCOCC4 1 0.968 5 5 0 -18.9109128818783 3933772 CC1=C(N=C(N=C1C)SCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C 1 3.36 4 3 0 -7.95120328559074 3933695 C=CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4 1 3.575 5 1 -17.328408504885 3933628 CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4 1 1.649 4 7 0 -20.764214562511 3933621 CC1CCCC(N1C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C 1 1.978 3 4 0 -14.1836467293356 3933492 COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC 1 4.176 2 4 -3.43391130203569 3933489 C1=CC=C(C=C1)CN(C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3F 1 6.034 3 0 -5.37753026841811 3933450 CC(C)CNC(=O)CN1C(=O)C2=C(N=CN2CC(C)C)N(C1=O)CC3=CC=CC=C3 1 2.927 5 3 0 -18.0861050474697 3933436 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC3=CC=CC=C3Cl 1 0.908 5 5 0 -21.7841012141488 3933432 CCOC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)N)[N+](=O)[O-] 1 1.311 6 4 0 -11.317579903398 3933425 CCC(=NNC(=O)C)C1=CC=C(C=C1)OC(F)F 1 2.472 2 2 -2.83486773177299 3933421 CC(=O)OC1=CC(=C(C=C1)C2(CC(NC(=S)N2C)(C)C)C)OC(=O)C 1 3.009 2 4 -7.2379077329632 3933385 COC1=CC(=C(C=C1NC(=S)N2CCCC(C2)CO)OC)Cl 1 3.696 2 3 -12.8739079786574 3933312 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.023 2 7 0 -22.2566624052953 3933225 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C(=O)NC2=C(C=C(C=N2)Cl)Cl 1 2.772 3 5 0 -8.3682715113423 3933013 CC1=CC=CC(=C1)C2(CC2C(=O)NCC3CCCO3)C4=CC(=CC=C4)C 1 3.985 1 2 -5.45535582711214 3932998 CC(C)CCN1C(=O)CC(C1=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 0.824 4 5 0 -25.4317685695975 3932964 CC1=C(SC(=N1)NC(=O)CC2=C(C=CC=C2Cl)F)C(=O)C 1 2.83 2 2 -10.8340793438892 3932949 CCCC1=NC=C(N1C)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C)O 1 4.531 2 1 -0.802155678224417 3932902 COC1=CC=CC=C1OCC(=O)NNC2=C3C=CC=CC3=NC4=CC=CC=C42 1 3.979 3 3 -2.96553606352759 3932813 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CC=CS3 1 3.594 2 4 -16.9543859634343 3932797 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C(=O)C3(CCCCC3C)NC2=O 1 2.551 3 5 0 -17.0967463414055 3932775 CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 3.342 3 3 -9.62276193430306 3932744 COC1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)CCN6CCOCC6 1 3.783 4 3 0 -7.09719810074852 3932690 COC1=CC=CC(=C1)C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)Br 1 2.751 3 3 -8.33272078586844 3932660 CC1=CC=CC=C1N2C3=CC(=CC(=C3C=N2)[N+](=O)[O-])[N+](=O)[O-] 1 3.531 4 4 0 -2.59275153190916 3932657 C1=CC=C(C(=C1)CN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43)C#N 1 2.841 4 2 -4.50929085100884 3932560 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC3=CC4=C(C=C3)OCCO4 1 1.223 2 7 0 -24.6588686547284 3932483 CC1=NC2=C(C(=N1)NCCC3=CC=CC=C3)OC4=CC=CC=C42 1 3.718 3 1 3.72451550723285 3932482 CCC1=CC=CC=C1NC(=O)CC(C(=O)O)NCC2=CC=CC=C2 1 0.106 2 3 0 -11.4840065456126 3932353 CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)CC3=CC=CC=C3)Br 1 2.956 3 3 -8.99009527392431 3932276 C1CC2=C(C3=CC=CC=C3N=C2C1)C(=O)NCC4=CC=C(C=C4)F 1 4.077 2 1 -5.25055106551314 3932264 COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 2.634 3 6 0 -12.1698443776438 3932233 CC1=CC=C(C=C1)N2C(=O)C(N(C2=O)C3CC3)CC(=O)NC4=CC(=CC=C4)F 1 3.029 3 3 -11.1963571830246 3932057 CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)C4=CC=C(C=C4)O 1 3.752 1 6 0 -13.3684370572191 3931873 C1=CC=C(C=C1)OC2=CC3=C(C=C2)NC(=C3)C(=O)NN 1 2.485 3 2 6.15330385556506 3931786 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NNC(=N2)C3=CC=CS3 1 2.496 4 3 0 -19.8493714840212 3931640 CC1=NC(=C(C=C1)OCC(=O)NC2CCS(=O)(=O)C2)[N+](=O)[O-] 1 -5.4e-002 3 6 0 -16.935352292436 3931565 CC1=C(C=CO1)C(=O)NNC(=O)COC2=C(C=C(C=C2)Br)Br 1 2.452 2 4 -6.72674662007782 3931605 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.863 3 4 0 -7.48054576392669 3931603 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N(C)CCC2=CC=CC=N2 1 3.061 4 2 -14.9663605246266 3931551 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N(C)CC3=C(C(=C(C=C3)OC)OC)OC 1 2.552 3 6 0 -18.7127454366608 3931549 C1CC2=NC3=C(C=CC(=C3)C(=O)OCC(=O)NC4CCS(=O)(=O)C4)C(=O)N2C1 1 -0.287 3 6 0 -26.2666269191539 3931368 CN1C=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 0.588 5 4 0 -31.669854548477 3931223 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4 1 3.087 6 3 0 -25.8487032310473 3931213 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)COC(=O)CN4C=NC5=CC=CC=C54 1 2.873 3 5 0 -11.1685015280919 3931032 CC1=CC=CC=C1OCCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 2.36 2 7 0 -23.1987745474614 3931031 CC(C)N1C(=O)CC(C1=O)NC2=CC=CC3=C2C(=CC=C3)N 1 1.646 3 2 0 -5.30036170714629 3931024 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=C(N=CC=C2)OCC)OCC 1 3.035 2 6 0 -21.3237949771646 3930992 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3OC 1 4.529 3 4 0 -5.9544707482419 3930852 COC1=C(C=C(C=C1)C2=NN(C=C2C=NNC3=NC4=CC=CC=C4C=C3)C5=CC=CC=C5)OC 1 5.677 5 2 0 12.4820159653843 3930768 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)OC 1 3.517 2 3 -13.8962384215976 3930754 C1C(CN(C1=O)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.337 1 3 -10.4073508278442 3930725 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(CCSC)NC(=O)N 1 1.083 4 5 0 -18.5676167797068 3930719 C1CCC(=O)C(C1)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 1.58 1 6 0 -23.501460311746 3930702 CC(C(=O)NC(=O)N)OC(=O)C1CSC2(N1C(=O)CC2)C3=CC=C(C=C3)F 1 0.936 3 5 0 -8.57457378370388 3930693 CC1=CC(N2C3=C1C=CC=C3C4(C2=O)N(C(=O)CS4)C5=CC=C(C=C5)OC)(C)C 1 3.677 2 3 -3.99922615789873 3930683 C1CN(CCN1CC(C2=CC=CC=C2)O)C3=CC=CC=C3Cl 1 3.686 2 1 2.72490812273644 3930629 C1=CC=C(C(=C1)C(=O)NCC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-])Cl 1 2.379 4 4 0 -9.39831897985998 3930624 CC(C)CC(C(=O)OCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)NC(=O)C3=CC=C(C=C3)Cl 1 3.171 2 6 0 -18.802689537275 3930609 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)CC3C(=O)NC4=CC=CC=C4S3 1 3.692 2 4 -15.5666989212649 3930305 C1CN(CCC1C(=O)N)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 0.363 4 4 0 -4.55244176997542 3930264 C1=CC=C(C=C1)CC2C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 3.842 3 4 0 -5.11562286534679 3930234 CCOCCCNC(=O)C(C1=CC=C(C=C1)Cl)N(CC2=CC3=C(C=C2)OCO3)C(=O)CNC(=O)C 1 1.714 3 6 0 -17.2564880068946 3930220 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2CCC(=O)N2 1 0.974 3 6 0 -15.7413335249234 3930218 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 0.602 3 5 0 -18.875739052448 3930181 C1CCCN(CC1)C2=C(C(=NC(=N2)NCC(=O)O)N)[N+](=O)[O-] 1 1.151 6 4 0 -3.29117297998214 3930036 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CC(=O)NC(C)(C)CO 1 3.731 1 2 -1.81967312506825 3929966 CC1=C(C(=NO1)C)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 1.222 3 5 0 -13.4609468212311 3929926 CC(C)CC(C(=O)NCC1=CC=CC=C1Cl)NC(=O)N 1 2.187 3 2 -16.3833125281412 3929925 CCC(CC)C1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3 1 4.365 5 3 0 -10.6727677467031 3929829 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Cl 1 3.452 3 2 -4.50219902044331 3929657 C1CCN(CC1)C(=O)COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 0.646 3 7 0 -16.9144644339996 3929628 COC1=CC=CC=C1CN2CCCCC2C(=O)O 1 -0.614 1 3 0 -6.32432399689691 3929592 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC=NC=C4 1 2.577 4 3 0 -17.6452619778638 3929572 C1CC(=O)N(N=C1C(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=CC=CC=C4 1 1.938 4 3 0 -12.7495263817335 3929571 CCC1=CC=CC(=C1NC(=O)CN2C(=O)C(NC2=O)CC3=CC=CC=C3)C 1 3.15 3 3 -10.6529361896472 3929515 C1=CC=C(C=C1)C2C=CC(C3C2C(=O)N(C3=O)C4=CN=CC=C4)C5=CC=CC=C5 1 3.428 2 2 1.4748565894227 3929426 C1=CC=C(C=C1)C2=CN(C(=N2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)N 1 1.597 5 3 0 -12.1319980356873 3929421 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C 1 2.407 4 5 0 -19.2275399534613 3929364 CC1CCCC(C1C)NC(=O)CSC2=NN=C(N2C)C(F)(F)F 1 3.321 4 1 -16.0577977403502 3929347 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CC1=CC=C(C=C1)CN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43 1 3.449 3 2 -1.87853092120711 3928251 C1CC(C2=CC=CC=C2C1)NC(=O)COC3=C4C(=CSC4=NC=N3)C5=CC=CC=C5 1 4.812 3 2 -6.25459803116185 3928175 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC)S(=O)(=O)N3CCCCC3 1 3.206 3 8 0 -28.5069353400617 3928154 CC(COC)NC(=O)CSC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.873 2 3 -8.61574847564303 3928083 CCC(C)N1C(=CC(=C1C)C(=O)N)C 1 1.672 2 1 0 -5.06916134580563 3928078 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=CN2C3=CC=CC=C3 1 0.833 4 3 0 -22.1283716837766 3928077 CCOC1=CC(=C(C=C1)NC(=O)CC2=CC=CC3=CC=CC=C32)[N+](=O)[O-] 1 3.784 2 4 -7.69191370599117 3927985 CC1(CC2=C(C(C3=CC4=C(C=C3N2)OCO4)C5=CC6=C(C=C5)OCO6)C(=O)C1)C 1 3.628 1 5 -23.0580575852081 3927980 CCCN1C2=CC=CC=C2C3(C1=O)C(=C(C(=O)N3CCCOC)O)C(=O)C4=CC=C(O4)C 1 1.812 2 6 0 -6.02277302519163 3927925 C1=CC(=CN=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=C(C=C4)Cl 1 2.724 9 2 0 -21.176648801876 3927850 COC1=C(C=C(C=C1)C=NNC2=CC=C(C=C2)[N+](=O)[O-])O 1 3.084 3 4 0 1.95420621320031 3927721 CC(C)C(C(=O)NC1=CC=C(C=C1)N2CCOCC2)NC(=O)C3=CC=C(C=C3)C(C)(C)C 1 4.252 3 3 -16.3930232295363 3927656 C1=CC(=CC=C1NCC2=CC=NC=C2)[N+](=O)[O-] 1 1.965 3 2 0 -3.36440722292367 3927593 C1CC(=O)N(N=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C4=CC=CC=C4 1 1.573 5 4 0 -17.5442520085601 3927528 CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CSC4=NN=NN4C 1 2.16 6 1 0 -28.151921971532 3927463 CN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.301 2 5 0 -23.0193156103648 3927450 COCCNC(=O)CN1C(=O)C2(CCCC3=C2C=CC(=C3)OC)NC1=O 1 0.627 3 5 0 -12.5949220488266 3927349 CCC1C(C2(C3CCCCC3(O1)OC2=N)C#N)(C#N)C#N 1 1.406 4 2 0 -2.02131287086632 3927332 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=NC4=CC=CC=C4N=C3N5CCOCC5 1 1.8 5 5 0 -19.3580079061527 3927299 CC1=CC(=NC(=N1)NN=CC2=CC=C(C=C2)SC)C 1 2.66 4 0 -1.24038789261508 3927260 CC1=C(C(=NO1)C)C(=O)OC(C)C(=O)NC(=O)NC 1 -0.109 3 5 0 -14.8171952625449 3927213 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.637 3 6 0 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CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3CC3 1 0.962 3 2 0 -10.4504518367698 3924130 CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OCC(=O)C3=CC=CC=C3Cl)O)C 1 3.052 1 6 0 -10.8835950798225 3924085 CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3 1 2.252 3 5 0 -19.1514605528634 3924081 CCOC(=O)C1=C(NC(=C(C1C(=O)OCC(=O)NC(C)C2=CC=CC=C2)C(=O)OCC)C)C 1 1.716 2 7 0 -22.963739027468 3924080 CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4 1 3.869 5 4 0 -27.7331346083956 3924022 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=C(C=CC(=C2)Cl)Cl 1 4.422 2 3 -13.6686772047541 3924017 COC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 2.714 5 4 0 -28.7492447067055 3924007 C1=CC=C(C=C1)C(C(=O)NC2=CC=CC(=C2)C(F)(F)F)SC3=NC=NC4=CC=CC=C43 1 5.766 3 1 -1.87722756081742 3923974 C1CC2CC1CC2CC(=O)NC3=NC(=CS3)C4=CC=CC=N4 1 3.22 3 1 6.14058833591501 3923961 CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C(=CC=C3)C)O)C 1 4.515 0 5 -0.81823539519772 3923934 C1CCC2=C(CC1)SC3=C2C(=NC4=C(C(C5=C(N43)CCCC5=O)C6=CC=CC=C6)C#N)N 1 5.144 4 1 -24.1997381733411 3923922 CN(C)C(CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4 1 4.889 3 3 -10.7514370894284 3923905 CC(C)C(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)C3=CC=CC=C3 1 3.138 2 7 0 -19.1683541200403 3923904 CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 5.209 1 5 -12.0740754862835 3923839 CCN(C1=CC=C(C=C1)OC)C(=NP(=O)(N2CCOCC2)N3CCOCC3)N4CCOCC4 1 0.102 5 5 0 -8.95818090656853 3923766 CC1CN(CCN1C(=S)NCC2=CC=CC=C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F 1 4.789 4 4 0 -12.6617432519321 3923738 CSCCC1C(=O)N(C(=O)N1)CC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4 1 2.248 4 4 0 -15.4624853123162 3923660 COC1=CC(=C(C=C1)NC(=O)CN2CCC3=CC=CC=C3C2)OC 1 2.581 2 3 -12.8708197132891 3923626 CC1(CC2=C3C4=C(C(=NC(=N4)SC)SCC(=O)OC)SC3=NC(=C2CO1)C5=CC=CO5)C 1 5.244 3 4 0 -15.8229535781907 3923613 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CNC(=O)C2=CC=CC=C2F 1 2.257 1 5 -16.4129010507494 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C1C(=O)NC2=CC=CC=C2N1C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 2.021 3 5 0 -12.888287606264 3919054 CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C(=CC=C3)OC)OC)C 1 4.238 0 6 -6.0945354748209 3919046 C1=CC=C(C=C1)C(C(=O)NC2=CC(=CC(=C2)Cl)Cl)NCCCO 1 2.991 2 2 -4.71059314207102 3919032 CC1=C(C(=C(C=C1)S(=O)(=O)N2CCOCC2)C)NS(=O)(=O)C 1 0.518 2 5 0 -14.1682299668063 3919021 C1=CC(=CC=C1NC(=S)N=C(N)N)Cl 1 2.61 4 0 0.526092091740627 3918969 COC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=NC=C4 1 0.949 5 5 0 -8.03407877858963 3918968 CC(=O)NC1(C2=C(NC1=O)N(C(=O)NC2=O)C3=CC=C(C=C3)OC)C(F)(F)F 1 0.435 4 5 0 -6.66329975760793 3918950 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=NN=C(S4)SCC5=C(C=CC=C5Cl)Cl 1 4.141 4 4 0 -18.3481792765498 3918932 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5 1 3.747 4 5 0 -34.9602178912171 3918899 CCC1=C(C(=NO1)C)C(=O)O 1 1.008 1 3 0 -5.35978741189206 3918849 COC1=CC(=CC(=C1)NC(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4)OC 1 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CC(=NNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl)C3=CC=CC=C3F 1 3.741 4 3 0 -21.6016288637389 3917866 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)C 1 2.248 2 6 0 -13.2359079117902 3917864 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC2=CC=CC3=CC=CC=C32 1 2.475 2 4 -12.0535899766883 3917718 COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3 1 2.491 2 3 -10.7229082463429 3917550 CCN(CC1=CN2C=CC=NC2=N1)C3CCCCC3 1 2.681 4 0 -5.16633585453793 3917548 CCOC1=C(C=C(C=C1)C=NNC2=CC=CC=N2)OC 1 3.153 3 2 -2.51174442525963 3917496 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=CS3 1 1.768 3 5 0 -14.4613917088794 3917438 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CCC(=O)OCC(=O)NCC2=CC=CC=C2 1 0.92 5 6 0 -26.5055482705566 3917428 CN=C1N(C(=O)CC(S1)C(=O)NC2=CC=CC=C2Cl)C3=CC=C(C=C3)OC(F)(F)Cl 1 6.179 3 3 -4.0610712895923 3917382 CC1CCCCC1NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 5.906 2 1 -5.70740957287232 3917287 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4 1 2.586 3 4 0 -17.0561900416566 3917260 C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CC=C3Cl 1 4.279 3 5 0 -15.9780660007237 3917248 CC1CCCC(C1C)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC(=CS3)C 1 4.467 3 5 0 -18.5182918331841 3917246 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 3.896 4 4 0 -12.8114878583068 3917187 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCC3=CC=CC=C3F 1 3.441 2 1 -10.9390205322993 3917055 CCC1=NN=C(S1)NC(=O)CCC(=O)NC2CCCC3=CC=CC=C23 1 2.374 4 2 -18.6076257124918 3917007 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CCSC3=CC=CC=C3 1 2.373 1 5 -11.9524300387665 3916833 CSCCC(C(=O)NCC1=CC=C(C=C1)Cl)NC(=O)N 1 1.283 3 2 0 -15.7302655264168 3916812 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 1.671 2 4 0 -14.6245190397481 3916671 CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OC2CCOC2=O 1 1.781 1 6 0 -13.9496219622713 3916643 C1COCCN1CCNC2=C(N=C(O2)COC3=CC(=CC=C3)Cl)C#N 1 2.219 4 3 0 -6.68737257178931 3916633 CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=C(C4=CC=CC=C4O3)C)C(=O)OCC 1 4.585 3 4 0 -5.71607912352729 3916547 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)S(=O)(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)[N+](=O)[O-] 1 4.226 3 5 0 -2.15412192703863 3916545 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCCCCC3 1 3.58 3 2 -10.9095221111497 3916515 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C3N2C=CC=C3 1 0.81 4 3 0 -26.2553331846717 3916504 CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC5=C(C=C4)OCO5 1 3.631 2 5 0 -14.8375474677064 3916493 CC(=O)N1CCC(=NNC(=O)C2=CC3=CC=CC=C3C=C2O)CC1 1 1.104 3 3 0 -4.91332903023886 3916490 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC2=C3C=CSC3=NC=N2 1 2.085 4 4 0 -18.9901043619671 3916488 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)C4=CC=C(C=C4)NC(=O)CC#N 1 2.575 4 6 0 -23.2166810689755 3916444 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.879 3 5 0 -11.5560904982616 3916428 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-] 1 3.047 3 7 0 -19.2229111363207 3916392 CN1C(=NN=N1)SCCC(=O)NC2=CC=C(C=C2)OC 1 1.092 5 2 0 -18.2727409463928 3916279 COC1=C(C=C(C=C1)C=NNC2=C(C(=NS2)SC)C#N)OC 1 3.512 4 2 -11.4328907914925 3916262 CC(C)(C)C1=CC=C(C=C1)C=NNC(=S)NC2=CN=CC=C2 1 4.335 4 0 -3.11762340042411 3916214 CCCCN1C2=C(N=C1C3=CC=C(C=C3)OCC=C)N(C(=O)NC2=O)CCC 1 4.42 4 3 0 -12.1012131507356 3916178 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C(=C(C=N2)Cl)Cl)S(=O)(=O)N3CCCCC3 1 1.795 4 4 0 -12.0463306262893 3916024 CC(=NNC1=NC(=C(C=C1Cl)Cl)Cl)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 4.059 4 3 0 -5.87115500627796 3915969 CC1=NN(C(=O)C1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3 1 3.131 4 1 -1.0099904930643 3915903 CC(C1=CC=CC=C1)NCCC(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)F 1 5.579 1 1 1.42231995339326 3915892 COC1=C(C=C(C=C1)F)CN2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C4CCCCC4 1 3.17 5 3 0 -14.0605027049262 3915772 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC 1 2.227 2 6 0 -21.3426832400448 3915762 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=CC=C3 1 2.418 3 3 -9.36612292721795 3915676 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4 1 2.894 2 5 0 -22.8122012200447 3915652 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=C(C(=CC=C2)OC)O 1 3.225 1 5 -10.9605840797089 3915651 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=C(C(=CC=C3)OC)O 1 3.77 2 7 0 -15.503854124033 3915320 C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC=N2)Cl)SC3=CC=CC=C3 1 4.779 2 1 -5.8380428700948 3915317 CCCN1C(=CC(=C1C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-])C 1 3.241 3 6 0 -19.3584765832493 3915250 CCC(C)(C(=O)NC1CCCCC1)N(C2=CC=CC=C2)C(=O)C3=CC=CC=N3 1 4.336 3 2 -15.6219441814041 3915245 CC1CCCC(N1C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3)C 1 3.316 2 5 0 -21.4975973648728 3915231 CCC(C)(C)C(=O)NC1=NN=C(S1)CCC2=CC=CC=C2 1 3.842 3 1 -11.6750881220939 3915069 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)NC4=CC(=CC(=C4)Cl)Cl 1 3.223 3 3 -4.90467207016035 3915089 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32 1 1.286 4 6 0 -27.7055666541716 3915088 CCOC(=O)N1CCC(=NNC(=O)N)CC1 1 -0.445 4 3 0 -10.7954415932952 3915004 CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=NNC(=O)CC4 1 2.941 3 4 0 -17.634282832776 3914965 CCC1CCCCN1C(=O)COC2=CC=CC=C2NC(=O)C 1 2.018 2 3 -16.1080713164543 3914960 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)N4CCOCC4 1 1.785 4 5 0 -11.3167437166908 3914918 CC(C)(C)C1=CC=C(C=C1)C(=NNC(=O)C2=CC(=C(C=C2)OC)OC)CCC(=O)O 1 3.876 2 5 0 -11.3660227329314 3914833 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 2.256 4 3 0 -11.1182565153435 3914832 C1COCCN1C(=O)C2=CC(=CN3C2=NC4=CC=CC=C43)C(=O)C5=CC(=CC(=C5O)Cl)Cl 1 3.928 3 4 0 -1.48200929056361 3914830 CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=CC(=CC=C3)C 1 4.875 5 1 -1.79502666419828 3914688 CC1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)C 1 4.218 2 2 -18.3772182303672 3914450 CCC1(CC2=C(CO1)SC3=NC(=NC(=C23)NCCN(C)C)SC)C 1 3.724 4 1 -7.08060662665996 3914408 CC(C=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCCCC3)C4=CC=CC=C4 1 2.465 9 2 0 -26.3437592287071 3914324 CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C 1 1.704 2 3 0 -10.1661159321488 3914317 CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC3COC4=CC=CC=C4O3 1 2.97 2 3 -8.43892436590055 3914281 CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CSC3=NC(=O)C=C(N3)N 1 3.406 4 2 -11.8437129709864 3914259 C1=CC=C(C=C1)C(=O)N2C=C(C=N2)C(=O)C3=CC=CC=C3O 1 3.09 2 3 -0.414989337784915 3914216 CCCN1C2=CC=CC=C2N=C1NC(=O)C3=C(C(=CC=C3)C)C 1 4.722 3 1 -4.78985222555531 3914208 CC(=NNC(=O)C)CCC1=CC=CC=C1 1 1.48 2 1 0 -5.08042114516482 3914119 CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.734 4 6 0 -24.1201613509862 3914057 CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)C)[N+](=O)[O-] 1 2.866 3 5 0 -19.0168006934889 3914049 CC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.718 4 4 0 -10.9732014530376 3913948 CC1=C(C=CC(=C1)OCC(=O)NC2=NN=C(S2)C3CC3)C(C)C 1 3.622 3 2 -9.94259706470609 3913914 COC(=O)CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1 1 1.604 1 4 0 -11.3369746406151 3913889 CC1=C(C=CO1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br 1 2.506 2 4 -6.00447434644638 3913887 CN1C(=NN=N1)SCC(=O)NC2=CC=CC=C2Br 1 1.608 5 1 0 -20.6944195881119 3913833 CC1=CC(=NC(=N1)SCC(=O)NN=C(C)C2=CC3=C(C=C2)OCCO3)C 1 2.15 4 3 0 -15.8941791382898 3913781 CC(C)OC1=CC=C(C=C1)C(CC(=O)N(C)CCC#N)C2=CC=C(C=C2)F 1 3.913 2 2 -10.3261541328097 3913718 C1C(OC2=CC=CC=C2O1)C3=CSC4=C3C(=NC=N4)Cl 1 3.383 2 2 5.0096802869864 3913693 CCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC(CC3=O)C4=CC=CC=C4 1 2.524 4 4 0 -23.3991582922235 3913650 COC1=CC(=C(C=C1)OC)NC(=O)CC2C(=O)N(C(=NC3=CC=C(C=C3)F)S2)CCC4=CCCCC4 1 5.608 3 4 0 -12.1403543537935 3913511 C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)SC(F)F)O 1 4.362 2 1 -10.2589270526791 3913483 CC12CCC(=O)N1C(CS2)C(=O)OCC(=O)NC3=CC(=CC=C3)Br 1 1.374 2 4 0 -7.96764882118715 3913398 CC(C)CNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3)Cl)Cl 1 4.158 1 7 0 -17.3929397622794 3913276 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN=CC3=CC=C(C=C3)OC4=CC=CC=C4 1 4.451 4 4 0 -20.0692992190507 3913264 CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=C(C=C(C=N3)Cl)Cl 1 5.421 3 1 1.9633611797825 3913202 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 1.572 5 5 0 -19.8800849610342 3913192 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.347 4 2 -3.35574395669528 3913191 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CNC(=O)C=C2 1 0.219 3 5 0 -21.9401789234156 3913158 C1=CC=C(C=C1)OCC(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.109 2 6 0 -14.742204301715 3912936 CCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4 1 4.245 2 4 -13.9744285192627 3912933 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl 1 2.417 3 4 0 -6.74692022624931 3912902 COC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 3.33 3 2 -7.65449035923564 3912883 CC1=CC(=C(N1CC=C)C)C(=O)CN2C(=O)C3(CCCC4=CC=CC=C43)NC2=O 1 3.177 3 3 -9.90077223058634 3912824 CSC1=CC=CC=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.976 4 5 0 -26.5546561133694 3912810 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NC3=C(C=CC(=C3)C)C)C 1 6.366 5 4 0 -8.83668825508496 3912764 CC1=NN=C(S1)SC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C 1 3.336 6 2 0 -15.073001864255 3912756 COC1=CC(=C(C=C1)C(C[N+](=O)[O-])C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4)OC 1 5.013 2 4 -2.00071698244542 3912736 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3 1 2.261 2 5 0 -11.4293019584465 3912626 CCOC(=O)C1=C(N(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)N 1 0.439 3 6 0 -21.2463108639039 3912620 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=C(C)C3=CC=NC=C3)C 1 2.973 4 3 0 -13.1896072684581 3912607 COC1=C(C=CC(=C1)C=NOCC(=O)NC2CCS(=O)(=O)C2)OC(F)F 1 1.052 2 6 0 -13.0811176494298 3912551 CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=CC=CC=C43 1 4.564 3 2 -8.81400407356327 3912518 C1=CC=C(C=C1)CC(=NNC(=O)C2=CC=CC=C2F)CC3=CC=CC=C3 1 4.593 2 1 -7.41399635403323 3912511 CC(=NNC(=O)C1=CC=CC=C1OCC2=CC=C(C=C2)F)C3=CC=CC=N3 1 3.714 3 2 -5.52522907170623 3912472 CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2 1 3.194 3 2 -10.2245316407259 3912414 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43 1 1.427 5 3 0 -24.1068100307819 3912200 CCOC1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2=CC=C(C=C2)C 1 4.311 0 4 -4.90865940962418 3912197 COC1=C(C=C2C(N(CCC2=C1)C(=O)CCl)C3=C(C=CC(=C3)Br)F)OC 1 4.303 1 3 -13.0856646256966 3912194 COC1=CC(=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CSC=C4)C(=O)CCC3)OC 1 3.237 3 3 -20.3786026235766 3912114 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CSC2=NC3=CC=CC=C3N2 1 2.668 4 3 0 -15.0225860207334 3912109 CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=C2F)NC(=O)C3=C(C=CC=C3F)F 1 3.876 3 2 -12.9547373536195 3912049 CCOC(=O)C(=O)N1CCC(CC1)CC2=CC=CC=C2 1 2.587 1 3 -2.90235977046146 3912020 COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)S(=O)(=O)N3CCCCC3 1 1.353 6 4 0 -23.4405276985307 3911882 CC1=CC=C(C=C1)C2=C(SC(=N2)N)CC(=O)OCC(=O)NCC3CCCO3 1 2.113 3 4 0 -8.75279522909002 3911764 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CS3)N4CCCC4 1 3.662 3 4 0 -9.28381509403012 3911617 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl 1 3.004 2 5 0 -17.6657290679752 3911608 CC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC(=N3)C)O)C(=O)C4=CC=CS4 1 4.073 2 3 -15.6081292865832 3911588 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CC=C(C=C3)Cl)F 1 4.007 2 3 -6.76036193041243 3911564 C1CC(=O)N(C1)C(=O)COC(=O)C2COC3=CC=CC=C3O2 1 0.763 1 6 0 -10.7555586487968 3911558 CC1CCCN(C1)C(=O)CSC2=NC(=O)C=C(N2)C 1 1.47 3 2 0 -20.7490814247444 3911449 COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.551 4 5 0 -11.024521487145 3911409 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.675 3 3 -9.9085997365558 3911346 CC1=C(C=CC=C1Cl)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC 1 5.535 3 3 -16.9212321079355 3911320 CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NC(=O)NCCC(C)C 1 2.859 4 5 0 -24.9491826267326 3911319 CC1CCCCN1C(=O)COC(=O)C2=CC(=C(C=C2)OCC3=C(ON=C3C)C)OC 1 2.678 2 6 0 -24.4832743602935 3911255 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C1=CC=C(C=C1)C(CNC2=C3C=CSC3=NC=N2)O 1 2.532 3 1 -1.3478992498935 3894771 CN1C=CN=C1SCC(=O)C2=CNC3=CC=CC=C32 1 2.555 3 1 -1.76482884860187 3894597 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 1.706 2 7 0 -22.197238601673 3894255 CC1(C2CCC1(C3=C2C(=NN3C4=CC=C(C=C4)F)C(=O)O)C)C 1 4.464 2 2 -3.97130468933026 3894146 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC=C(C=C3)O 1 2.648 1 5 -17.4050012354353 3894104 CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=NNC(=O)CC3 1 1.868 3 4 0 -18.6405879939186 3894098 C1=CC(=CC=C1NC2C(C(C(O2)C(CO)O)O)O)Cl 1 0.147 1 5 0 -5.32797454214082 3894096 CC1=CC(=CC(=C1)NC(=O)CC(C(=O)O)NCCCOC)C 1 -1.516 2 4 0 -12.8481979375719 3894061 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O 1 1.854 2 8 0 -15.6367871662889 3893924 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCC3=CC=CC=C3F)C 1 3.303 1 3 -14.0991993689794 3893874 CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(OC(=C3)C)C)Cl 1 4.586 1 4 -16.9917565691554 3893840 CC(=NNC(=O)CCC(=O)NC1=CC=C(C=C1)Br)CCC2=CC=CO2 1 2.203 3 3 -9.63027866563192 3893825 C1CN(CCN1C(=O)C2=CN=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.215 3 3 -20.1996089237693 3893768 CCC(C)C1=CC=CC=C1NC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 4.021 2 2 -8.23448351610387 3893607 COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)N3CCCC3 1 2.388 2 4 -20.746666146402 3893580 CC1=CC=CC(=C1)C(=O)NC2=NC(=C(S2)C(=O)C)C 1 2.411 2 2 -8.13419554788061 3893536 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C(=C3)Cl)OC)OC)C 1 3.579 4 4 0 -3.22360416807954 3893477 COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C(=N)N(C=N5)CCCO 1 3.48 3 3 -0.801509333327924 3893296 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=CS3 1 1.744 2 6 0 -24.7708132874667 3893106 CC1=CC=CC=C1NC(=S)NC2=CC3=C(C=C2)C=NN3 1 4.496 4 0 -7.00385022385114 3893098 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)C4=CC=CC=C4[N+](=O)[O-] 1 1.644 4 8 0 -27.2261587349265 3892998 CC(C)SC1=NC2=CC=CC=C2N1CC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.772 3 3 -14.7491537357861 3892980 CC1=CN=C(S1)NC(=O)CSC2=NN=C(N2N)C 1 -0.175 6 1 0 -16.2956636016341 3892960 CCOC(=O)C1C(C2C(=NNC2=O)CC1(C)O)C3=CC=C(C=C3)[N+](=O)[O-] 1 0.73 3 6 0 -16.9082824856558 3892921 C1CCC(CC1)NC(=O)C2=CC(=COC2=N)C(=O)C3=C(C=CC(=C3)F)O 1 2.732 2 4 -2.81356468788615 3892919 C1=CC=C(C(=C1)C(=O)COC(=O)C2=CC=NC=C2)Br 1 2.539 1 3 -7.66570705665765 3892914 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=CN=C2)Br 1 2.027 3 3 -15.6350838486125 3892862 CN1C(=C(C(=O)N(C1=O)C)C(=O)CN2CCN(CC2)C3=CC=CC=C3OC)N 1 0.49 5 4 0 -9.94876762651529 3892733 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CCNC(=O)C(=O)NC3=CC=C(C=C3)OC 1 2.708 4 4 0 -10.4433618319865 3892727 CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NC2=C(C=CC=C2Cl)C(F)(F)F 1 1.689 5 2 0 -9.96925911015586 3892660 CC1=C(C=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C=NN3)C 1 4.983 4 0 -4.39630559148084 3892657 CC1CCCCC1NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.831 1 4 -21.2106818036204 3892594 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4 1 4.149 4 3 0 -9.02019714669097 3892556 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=C(C=C(C=C3)OC)OC 1 2.116 2 5 0 -17.0322619697603 3892550 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 2.685 3 5 0 -12.3164584779574 3892355 COC1=CC=C(C=C1)CCC(=O)NCC23CC4CC(C2)CC(C4)C3 1 3.987 1 2 -10.3235358537556 3892234 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4 1 3.378 3 4 0 -4.91394720081339 3892157 C1=COC(=C1)C=NNC2=NC(=O)NN=C2 1 0.308 5 2 0 -10.8315316208234 3892137 COC1=C(C=C(C=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)NC4=CC=CC=C4Cl 1 4.365 3 4 0 -10.3219351326532 3892108 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NN=C(S3)N 1 1.797 5 3 0 -27.7709957716159 3892058 CCOC(=O)CSC1=NC=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)C5=CC=CO5 1 4.529 3 4 0 -17.6544247265531 3891978 C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1 2.9 6 6 0 -1.36958822132907 3891892 COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)S(=O)(=O)N3CCCCC3 1 2.629 2 7 0 -17.1171576885536 3891817 C1=CSC(=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.54 3 2 -15.8380793795431 3891741 CC1=C(C(=NN1CC(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C)[N+](=O)[O-] 1 1.524 5 7 0 -13.5165688492928 3891739 CCC(=O)C1=CC=C(C=C1)OCC(CNCC2=CC=C(C=C2)F)O 1 3.101 1 3 -4.83210899823988 3891691 C1CC(C2=CC=CC=C2C1)NC(=O)COC3=CC=CC=C3 1 3.472 1 2 -7.56718300673684 3891688 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3 1 1.888 2 6 0 -30.629784524741 3891644 C1=CC(=CC(=C1)Cl)NN=CC2=CC=NC=C2 1 2.962 3 0 4.63020356182256 3891546 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)[N+](=O)[O-])C 1 4.734 4 5 0 6.22476879271991e-002 3891545 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)NCC3=CC=CC=C3Cl 1 2.73 3 3 -17.844813763596 3891325 CCN(CC)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CS3 1 3.148 2 3 -18.6656345068377 3891309 CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3 1 3.245 5 2 0 -11.9012433311549 3891296 COC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CS4 1 2.753 8 3 0 -23.7193381644984 3891085 CC1=NN(C(=O)C1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3 1 2.292 4 6 0 1.38294577437154 3891081 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2COC3=CC=CC=C3O2 1 1.909 2 7 0 -18.0884646805291 3890901 CC1=CC=C(C=C1)NC(=O)C2(CCCCC2)NC(=O)C3=CC(=CC=C3)N4C(SCC4=O)C5=CC=CC=C5 1 5.497 3 3 -24.1699117881227 3890886 C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CNC(=O)C3=CC=CC=C3F 1 2.583 4 4 0 -27.8564532686381 3890866 C1CN(CCN1C(=O)C2=NNC(=O)C=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 0.826 4 4 0 -24.2923679553174 3890760 COCCNC(=S)NN=C1CCCCC1 1 1.825 3 1 0 -15.83755895302 3890611 CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C)S(=O)(=O)N4CCOCC4 1 3.735 2 5 0 -6.35954134635426 3890485 C1CN(CCC1C(=O)N)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 2.025 3 3 2.03726030636761 3890432 CCCCN1C(=NN=C1SCC(=O)NC2CCS(=O)(=O)C2)C3=CC=C(C=C3)OC 1 2.288 4 4 0 -24.4279403057058 3890361 CN1C=CC(=N1)C(=O)OCC(=O)NC2=CC=CC=C2 1 1.4 3 3 0 -10.7271305936054 3890303 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.169 3 4 0 -17.3775509094467 3890263 CC(=O)OC1=CC=C(C=C1)C=NNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.032 3 4 0 -7.32824924251017 3890211 C1=CC=C2C(=C1)N=NN2OCC3=CC=C(C=C3)[N+](=O)[O-] 1 0.735 4 3 0 -1.18811085233864 3890195 CC1=CC(=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C 1 4.429 3 2 -16.0326672085443 3890194 CC1CCCCC1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.793 2 3 -22.9709546478027 3890178 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC(=O)C3=CC=CS3 1 2.994 2 5 0 -12.5875474190884 3889938 CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C(C)NC(=O)C3=CC=CO3 1 3.007 1 7 0 -7.12651829867218 3889937 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)NCCN(C)C 1 3.652 3 3 -17.3557028481484 3889864 CC1(C(=O)N(C(=O)N1)CC(=O)C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3 1 2.299 2 5 0 -10.7916525952101 3889772 COC1=CC=C(C=C1)C2=CSC(=N2)N3CCC(C3)C4=CC=CC=C4 1 4.112 2 1 7.79403858819768 3889733 COC1=CC(=C(C=C1)NC(=S)NC2CC3CCC2C3)OC 1 4.081 2 2 -7.20249309771574 3889702 COC1=CC=CC=C1CNC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3 1 2.626 2 4 -19.4441773011353 3889606 C1CS(=O)(=O)CC1N(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)Br 1 2.265 1 4 -13.9370587071673 3889599 C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl 1 6.222 3 2 -1.10978826486495 3889363 COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=N2)S(=O)(=O)N3CCOCC3 1 0.68 3 5 0 -21.3922626328088 3889313 C1CC1C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2 1 1.202 2 4 0 -13.3205328092292 3889086 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CN3C(=O)C4(CCCCC4C)NC3=O 1 3.643 3 5 0 -9.22257428259046 3889049 CCOC1=CC=C(C=C1)NC(=O)CC(C2=CC=CC=C2)C3=CC=C(C=C3)F 1 4.927 1 2 -7.50893654074317 3888988 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3CCCCCC3 1 2.956 2 3 -11.0608178788027 3888926 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl 1 3.473 3 4 0 -4.32254624725669 3888835 CC1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)NC4=CC=CC=C4OC 1 4.559 4 4 0 -5.54620854780874 3888788 CC1(NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3OC)C(=O)OC 1 2.49 2 4 -5.70201230272547 3888785 CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3NC2(C)C(=O)OC 1 2.993 2 3 -4.00535854300817 3888737 CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)OC)OC 1 2.691 4 4 0 -20.4884700250139 3888635 C1=CC(=C(C=C1NC(=O)CNCCO)Cl)F 1 0.751 2 2 0 -1.76349247557124 3888609 C1CC(C2=CC=CC=C2C1)NC(=S)NCC3=CC=CO3 1 4.022 2 1 -9.22224237656393 3888478 C1COCCN1C2=CC=CC=C2NC(=O)CC34CC5CC(C3)CC(C5)C4 1 3.39 2 2 -8.02709212183588 3888476 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CC=C3)O 1 0.884 2 7 0 -23.6951657218097 3888467 CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)OC)S(=O)(=O)N(C)C 1 2.036 2 5 0 -12.2033435520965 3888363 COC1=C(C=C(C=C1)N2C(=O)CC(C2=O)NC3=CC=C(C=C3)C(=O)O)OC 1 1.931 2 6 0 -12.4504408851069 3888275 CC1CCCC(C1C)NC(=O)COC(=O)CCSC2=CC=CC=C2 1 3.816 1 3 -13.1229964787233 3888157 C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NCCC4=CC=C(C=C4)Cl 1 2.989 1 4 -7.93143998928992 3888121 CC1=C(C=C(C=C1)N(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C(=O)C4CCCO4)C 1 3.411 2 4 -15.3638177729182 3888077 C1C(CNC1=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=NC=C3 1 0.324 3 3 0 -7.11338122176662 3888071 C1CCCC(=NNC(=S)NC2=CC=CC=C2C(F)(F)F)CC1 1 5.209 3 0 -9.97365340412094 3887994 CCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC 1 1.213 5 5 0 -31.0237431648644 3887882 CC1=C(C(=CC=C1)OCC(=O)N(CC2=CC=CO2)C3CCS(=O)(=O)C3)C 1 2.324 1 5 -14.5320606985317 3887865 C1CC(C2=CC=CC=C2C1)NC(=O)CCCOC3=CC=CC=C3 1 4.042 1 2 -10.1192197369847 3887860 CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)C 1 0.274 4 6 0 -23.0850187612136 3887802 CC1CC2=CC=CC=C2N1CC(=O)C3=C(N(C(=O)N(C3=O)C)CC4=CC=CC=C4)N 1 2.585 4 3 0 -11.1494295081723 3887783 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CCC(=O)NC3=CC4=C(C=C3)OCO4 1 2.743 4 5 0 -22.4592883735084 3887752 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CC=C(C=C3)C#N 1 3.516 2 1 -8.36556484769771 3887726 CNC1=NC(=C(S1)C(=O)C23CC4CC(C2)CC(C4)C3)N 1 2.542 3 1 -4.27824360397399 3887702 CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NC4=CC=CC=C4C(=O)C 1 3.62 3 4 0 -15.3212063636176 3887621 COC1=CC=CC=C1C(=O)NC2CCCC3=CC=CC=C23 1 3.62 1 2 -7.80001867342918 3887546 CC(C)C(C)NC(=O)COC(=O)C1=NC(=CC=C1)C(=O)OCC(=O)NC(C)C(C)C 1 2.505 3 6 0 -13.7226279586986 3887430 CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C 1 3.424 3 4 0 -16.8043902442709 3887429 CC1=CC(=C(C=C1)C)NC(=S)NNC2=C(C=C(C=C2)F)F 1 5.423 3 0 -2.0212334260699 3887420 CCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 1 4.207 1 4 -11.4089499658002 3887391 CC1=C(C(=O)N(C1O)CC2=CC=CC=C2)C 1 2.083 1 2 -1.91353405776275 3887242 CC(C)COP(=O)(C(C1=CC=C(C=C1)F)O)OCC(C)C 1 3.328 0 4 -3.16973174226135 3887009 CCOC(=O)C(C1CC(NC(=S)N1)C)C(=O)C2=CC=CC=C2 1 2.629 2 3 -7.1912086772788 3887001 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)NC(C)C 1 1.822 1 6 0 -20.7441019063606 3886974 CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=NN=C4N3C=CC=C4 1 4.376 4 2 -18.502380795328 3886884 CC1=CC(=CC=C1)NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=CC=C3OC 1 1.612 3 4 0 -27.226691397819 3886868 CC(=NNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CC2=CC=CC=C2 1 2.639 2 4 -11.2219690963043 3886867 CCC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CC=C(C=C3)OC 1 3.802 3 2 -7.67494296180365 3886810 C1=CC=C(C=C1)CCC=NNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O 1 4.422 3 3 -4.00194688540777 3886757 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NN=C3CCCC(=O)C3 1 2.574 3 2 -8.47083163869703 3886739 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)NC(C1=O)CC(=O)NC3=C(C=CC=C3C)C 1 2.109 4 4 0 -18.4968898483023 3886690 C1CC(=O)NC1C(=O)OCC(=O)NC2=CC=CC=C2Br 1 0.856 2 4 0 -15.5145539183112 3886672 C1CCN(CC1)C2=NC(=O)C(S2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.391 3 2 -6.03719257019885 3886668 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CN=C(C=C2)Cl 1 0.53 2 5 0 -21.3880913919462 3886666 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 3.495 3 5 0 -1.5504847093488 3886656 CC(C)C1=CC=C(C=C1)NC(=O)CCC(=O)NCC2=CC=CO2 1 2.333 2 3 -14.6293592669236 3886646 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC 1 2.616 4 4 0 -14.3354302216338 3886537 CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 3.723 2 4 -8.98775131191252 3886505 C1=CC(=C(C=C1Cl)Cl)OCC(=O)NN=CC(C(C(C(CO)O)O)O)O 1 -0.533 2 7 0 -5.75935168762377 3886276 C1C=CC2C1CC2=NNC(=S)NC3=CC=CC=C3C(F)(F)F 1 4.195 3 0 -4.12231368776887 3886195 CC1CCCC(C1C)NC(=O)CSC2=NN=C3N2C(=CC(=N3)C)C 1 3.357 5 1 -21.2617157114244 3886175 CC(C)C(C(=O)NNC(=O)C1=CC=C(C=C1)OC)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.209 3 6 0 -20.6861885132697 3886109 CC(C)C1=NN(C(C1)(C(=O)OC)O)C(=O)C2=CC=C(C=C2)Cl 1 2.483 2 4 -2.16054505628606 3886106 COC1=C(C=C(C=C1)C(=O)NN=C2CCS(=O)(=O)C3=C2C=C(C=C3)F)OC 1 2.296 2 5 0 -9.95255918600161 3885969 CC1(CC(=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)CC(=O)C1)C 1 3.598 2 3 -10.6254393187861 3885904 CCC(=NNC(=O)CNC1=C(C=C(C=C1)Cl)C)C2=CC=CC=C2 1 4.141 3 1 -7.33935823220059 3885831 CN(C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=C(C=C4)Cl 1 3.767 2 5 0 -12.3874297260807 3885734 CCOCCCNC(=O)CN1C(=O)C(NC1=O)CC2=CNC3=CC=CC=C32 1 0.719 4 4 0 -17.8349453981469 3885702 CC1=CC=C(C=C1)SCCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=CC=C3Cl 1 4.878 2 4 -8.6001741075695 3885682 CC1=CC(=C(C=C1)OCC(=O)NCCOC)C(=O)C2=CN(C(=O)C(=C2)C#N)C3CC3 1 0.973 3 5 0 -19.6397502914479 3885544 CN(C)C1=C(C=C(C=C1)C=NNC(=O)CN(C2=CC=CC=C2Cl)S(=O)(=O)C)Br 1 3.227 4 3 0 -15.5781888924676 3885531 CCC1=CC=C(C=C1)NC(=S)NCC2CCCN2CC 1 4.431 3 0 -12.4965705840705 3885394 COC1=CC(=CC(=C1OC)OC)C=NNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.394 3 3 4.19509850093101 3885285 CC(C(C1=CC=CC=C1)N2CCOCC2)NC(=S)NC3=CC=C(C=C3)Cl 1 4.992 3 1 -7.54188253290932 3885055 CC1=CC(=NC=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C 1 2.869 3 3 -4.74989647574259 3885050 C1CN(CCN1C(=O)CCC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.835 3 4 0 -29.686348494545 3885032 C1=CC=C(C(=C1)CNC(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl 1 5.332 3 5 0 -19.4485050870313 3884963 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2COC3=CC=CC=C3O2)[N+](=O)[O-] 1 2.81 3 6 0 -14.6530993673248 3884838 C1CN(CCN1CC(=O)NC2=CC(=CC=C2)Br)C3=CC=CC=N3 1 2.722 4 1 -0.838887983279958 3884729 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NCC4=CC=CO4 1 2.656 2 6 0 -25.481271386651 3884715 CCN1C2=CC=CC=C2C3(C1=O)C(=C(OC4=NNC(=C34)C5=CC=C(C=C5)Cl)N)C#N 1 3.548 5 2 0 -2.96478450505475 3884695 C1CCN(C(C1)C2=CC=CC=N2)C3=NC(=NC(=N3)OCC(F)(F)F)NN=CC4=CN=CC=C4 1 3.573 8 1 0 -2.67314862500627 3884614 CC(=NOCC(=O)NN1C(=NC2=CC=CC=C2C1=O)COC3=CC=CC=C3)C 1 1.392 4 4 0 -7.40495852193953 3884477 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CCSC3=CC=CC=C3Cl 1 2.64 2 4 -18.1698535971787 3884392 CC1CCCC(N1C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)C 1 1.633 2 6 0 -26.8570062605422 3884387 CNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2 1 1.67 6 2 0 -2.31299818738113 3884382 C1COC(=CO1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F 1 1.041 1 6 0 -8.29424683733639 3884345 CC1=C(C=CC=C1Cl)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N2C4=CC=CC=C4 1 5.246 3 3 -6.97852322771117 3884308 C1CS(=O)(=O)CC1N(CC2=CC=CO2)C(=O)C3=CC=CC=C3 1 1.516 1 4 0 -15.1954394466868 3884239 COC(=O)CC1C(=O)NCCN1C(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl 1 1.338 3 5 0 -26.0374761110969 3884230 CCC1CCCCN1C(=S)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C 1 3.556 3 4 0 -27.6984025707589 3884181 C1C(=O)N=C(S1)NN=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3 1 3.086 3 4 0 -16.8483209154795 3884107 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(O2)C3=CC=CS3 1 3.281 4 4 0 -26.9924614258336 3883750 CC(=NNC(=O)C(=O)NCCO)CC(=O)NC1=CC=CC=C1Cl 1 -0.23 4 4 0 -12.2918197260419 3883611 COC1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)C3(CCOC4=CC=CC=C43)NC2=O 1 1.195 3 6 0 -9.31294883761487 3883605 C1CC(=O)NN=C1C(=O)OC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43 1 2.645 3 4 0 -19.4098939383539 3883591 C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=CS4 1 3.195 3 1 -1.34698441838921 3883510 C1COCCN1C2=CC=C(C=C2)NC(=O)C3CC(CN3S(=O)(=O)C4=CC=C(C=C4)Cl)O 1 1.603 3 5 0 -9.32042048614599 3883360 CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2CCCC(C2C)C 1 3.525 2 3 -22.4504347417102 3883191 CC(=O)NC1(C2=C(NC1=O)N(C(=O)NC2=O)CCC3=CC=CC=C3)C(F)(F)F 1 0.779 4 4 0 -7.71458819397534 3883061 C1=CC=C2C(=C1)C(=O)N=C(N2)COC3=C(C=C(C=C3)Br)Cl 1 3.741 2 2 -2.03741175295192 3883047 CC(=NNS(=O)(=O)C1=CC=C(C=C1)C(C)(C)C)C2=CC=CC=C2 1 3.767 2 2 -3.55860592804334 3882912 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35 1 3.285 5 2 0 -17.4859502091863 3882891 CC1=CC=C(C=C1)CN2C3=C(N=C2SC4=NN=C(S4)C)N(C(=O)NC3=O)C 1 3.158 6 2 0 -14.4829936147279 3882803 CC1=C(C=C(C=C1)NC(=O)COC(=O)C(C(C)O)NS(=O)(=O)C2=CC=C(C=C2)Cl)C 1 2.694 2 6 0 -16.0703638454633 3882773 C1CCC(C1)NC(=O)NC(=O)COC2=C(C=C(C=C2)Br)Cl 1 3.468 2 3 -6.0286824056289 3882765 CC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC=C(C=C3)F 1 3.891 2 1 4.72153003725581 3882643 CC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3 1 1.535 3 5 0 -21.9565750062572 3882642 CC1=NN=C(O1)SCC(=O)NC2=NC=CS2 1 0.181 4 2 0 -18.8445778238514 3882602 CC1(C(N(C1=O)C2=CC=C(C=C2)OC)C3=C(C=CC4=CC=CC=C43)O)C 1 4.232 1 3 1.19208902714008 3882583 CN1C(=NN=C1SC2CCCCC2=O)C3=CC=CC=C3F 1 3.499 3 1 -3.76702377173552 3882529 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3CCCCCCC3 1 3.355 6 3 0 -26.9291355650188 3882410 CCCCCCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3 1 6.065 2 6 0 -17.6840088149014 3882351 CCCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NCCC3=C(NC4=CC=CC=C43)C 1 4.832 2 2 -10.1288112322934 3882334 CC(=NN=C(N)N)C1=C(C=C(C=C1)OC)OC 1 0.811 4 2 0 0.517375075974845 3882291 CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCC(C)C 1 2.084 5 3 0 -17.2251208854802 3882198 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NCC3=CC=C(C=C3)S(=O)(=O)N 1 2.27 4 5 0 -23.7733870394598 3882075 CC1=CSC(=N1)SCCC(=O)NC2=CC=CC=C2OC 1 2.519 2 2 -16.4301783764979 3882088 CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4 1 3.2 4 2 -10.1297284319123 3881988 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)NC3CCCCC3 1 4.269 2 1 -6.42774346343036 3881876 CCC1=CC=CC=C1NC(=O)CC(=O)NC2=CC=CC=C2CC 1 3.8 2 2 -5.30940453266792 3881658 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3C=C(C=N3)C(=O)C4=CC=CC=C4O)[N+](=O)[O-])C 1 4.573 4 6 0 -4.51542195714515 3881582 COC1=CC(=C(C=C1)OC)N(CC(=O)NCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.422 2 7 0 -21.5033486580576 3881447 CCOC1=CC=C(C=C1)C=NCC(C2=CC=CC=C2)O 1 3.255 1 2 -3.1042946784136 3881425 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CS3)C(=O)C4CCC(=O)N4 1 3.199 3 3 -26.3539451203496 3881415 COC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.348 3 5 0 -11.4386589693446 3881351 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CNC(=O)C=C3)N4CCOCC4 1 0.742 4 6 0 -14.5775072330011 3881168 CCOC1=CC=CC=C1N=C2N(C(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)OC)OC)CCC4=CCCCC4 1 5.735 3 5 0 -17.4451474552459 3881166 CN1CCN(CC1)N=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC 1 2.943 3 3 -1.57292486759872 3881164 CC1=CC=CC(=C1C)C(=O)OC2CCOC2=O 1 2.381 0 4 -4.75472866719975 3881160 CC1=C(C=C(C=C1)NC(=O)C(CC(C)C)NC(=O)N)Cl 1 2.666 3 2 -13.3134978745905 3881157 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC=C(C=C3)NC(=O)C 1 2.249 3 5 0 -12.8449263389959 3881108 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CN=C(C=C4)Cl 1 0.992 4 5 0 -21.2747562405443 3881028 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 1.745 2 7 0 -17.0525070035527 3880924 CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)[N+](=O)[O-] 1 3.029 3 4 0 -13.2527801214364 3880790 CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)N3CCCC3 1 3.943 4 3 0 -6.0944862248313 3880731 CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2N)C3CC3 1 2.307 6 3 0 -15.9374604597965 3880722 C1=CC(=C[N+](=C1)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br 1 1.718 3 6 0 -11.6638298162158 3880720 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC4=C(C=C3)OCO4 1 2.658 1 6 0 -22.5105767797097 3880643 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3 1 0.976 3 7 0 -18.6191861766256 3880449 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5 1 0.781 3 5 0 -20.1609416790999 3880424 CC(C)C(=O)N(CC1=CC(=O)NC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 3.235 2 3 -9.2812124191152 3880392 COC(=O)C1(C(CNC1=O)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=CO3 1 1.712 2 6 0 -7.45799347725198 3880331 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)C#N 1 3.06 2 1 -9.41544662764824 3880307 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3OC 1 1.679 3 4 0 -23.7532109121552 3880166 CC(C)N(CC1=CC2=CC=CC=C2NC1=O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.83 3 4 0 -12.9765769022437 3880098 C1OC2=C(O1)C=C(C=C2)C3C(C(=O)N3CCC4=CC=C(C=C4)F)OC5=CC=CC=C5 1 4.523 1 4 -1.77979083730992 3879996 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3 1 1.422 4 3 0 -24.484189730636 3879946 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3CCCO3 1 2.074 2 5 0 -21.1737736032231 3879898 COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5 1 2.668 4 6 0 -20.9414588095353 3879894 CC1=NC(=C(C=C1)OCCOC2=CC=C(C=C2)Br)[N+](=O)[O-] 1 3.759 2 4 -2.02216713813877 3879877 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 1 3.546 5 4 0 -20.8725793856051 3879822 COC1=CC=C(C=C1)OCCNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 3.884 2 5 0 -9.5475955987911 3879775 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)C3=CC=C(C=C3)OC(F)F 1 1.223 4 6 0 -10.0915116738289 3879771 C1CSC2=C(C1=NNC3=CC=C(C=C3)C(=O)O)C=C(C=C2)F 1 3.74 2 2 -4.34746167049238 3879767 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])CC 1 3.191 5 4 0 -4.4420878522157 3879672 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CN(C2=S)C(=O)C 1 0.775 3 5 0 -15.2871743415822 3879663 CC(=NNC(=S)NCCOC)C1=CC(=C(C=C1)Cl)Cl 1 3.409 3 1 -10.4533213532655 3879650 CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)N3CC4=CC=CC=C4CC3C(=O)O)C5=CN=CC=C5)C 1 4.347 5 3 0 -12.9660681168895 3879597 CC1=C(SC=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3C(F)(F)F 1 4.557 3 1 -24.5493797255726 3879592 COC1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)CC6=CC=CO6 1 4.722 3 3 -2.84131102489656 3879562 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3 1 3.06 4 5 0 -18.7109456606754 3879444 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC3)OC 1 1.084 2 5 0 -21.3558916528119 3879386 CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CO3)CCN(C)C)O 1 1.103 3 4 0 -20.4149710453088 3879364 CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3 1 3.204 1 6 0 -23.5334016124703 3879017 CC(=NNC(=O)C1=CN=CC=C1)CC2=CC=C(C=C2)OC 1 1.522 3 2 0 -8.91050627832009 3878967 COC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C3=CC(=CC=C3)OC)(C(F)(F)F)O 1 3.417 2 4 4.41827768854457 3878885 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4 1 3.316 4 5 0 -6.29443294820493 3878872 CC1=CSC(=N1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.547 2 3 -13.9272299186006 3878850 CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5CCCO5)C(=O)N1CCC(C)C 1 3.69 5 2 0 -18.9119290516263 3878772 C1=CC=C(C=C1)CNC(=O)C2=CC(=CN(C2=O)CC3=CC=CC=C3)C(=O)C4=C(C=CC(=C4)Br)O 1 4.088 2 4 -6.26755682092689 3878766 CN1CCN(CC1)C(C2=CC=C(C=C2)C(F)(F)F)C3=C(C4=C(C=CC=N4)C=C3)O 1 4.359 3 1 6.13996491220073 3878753 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)NC3=C(C=C(C=C3)Cl)C#N 1 4.773 4 3 0 -13.8815958041802 3878575 C1COCCN1CC2=CC=C(C=C2)C(=O)NN=CC3=CC=CC4=CC=CC=C43 1 3.353 3 2 -2.37706595751884 3878573 CC(=NNC(=O)CN(C1=CC=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)C)C(C)(C)C 1 3.065 3 4 0 -12.7574945269779 3878546 C1C(=O)NC(=NC1=O)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 0.949 4 5 0 -18.3827928447777 3878384 COC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC 1 3.86 5 7 0 -21.9343069282788 3878391 CC1=NN(C(=C1C=NNC(=S)N)OC)C2=CC=CC=C2 1 2.417 5 1 -2.97190728679023 3878415 CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)C3=CC=C(C=C3)C 1 4.015 3 3 -4.25049166034663e-002 3878400 C1=CC=C(C(=C1)C(=O)OC2=CN=CC=C2)[N+](=O)[O-] 1 2.005 2 4 -8.0640529298302 3878398 CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-] 1 3.336 3 6 0 -16.8457678924303 3878372 CCC1=NC2=C(C(=N1)SCC(=O)N3CCCC4=CC=CC=C43)OC5=CC=CC=C52 1 5.059 3 2 -7.04729336588913 3878331 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CS3)C4=CC=NC=C4 1 1.6 9 2 0 -28.6650700190512 3878282 CC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)N4CCN(CC4)C 1 4.568 3 1 4.57523309435346 3878151 CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OC(C)C(=O)NC4=CC=C(C=C4)C(=O)C 1 4.104 3 4 0 -13.792401961672 3878142 CC1CC2=CC=CC=C2N1C(=O)COC3=CC4=C(C=C3)OCO4 1 2.876 1 4 -9.65703991653914 3877999 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C(C)N(C)C 1 2.138 5 3 0 -23.1229836252901 3877994 CC1=C(C(NC(=O)N1)C2=CC=CC=C2F)C(=O)OC3CCCCC3 1 3.128 2 3 -31.7154635350167 3877893 CCOC(=O)CN1C(CC(=O)NC2=CC=CC=C21)C 1 1.48 2 3 0 -12.599443816813 3877730 C1COC(=O)C1OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl 1 4.206 1 4 -4.78314974209499 3877754 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4 1 3.114 4 5 0 -23.9639779653939 3877694 CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C#N 1 4.423 6 2 0 -24.9114350795959 3877688 C1COCCN1C2=CC=C(C=C2)C3=NN(C(=C3)C(=O)O)C4=C(C=C(C=C4)F)F 1 4.185 3 3 2.08476369823927 3877618 CC1CCCCC1NC(=O)COC(=O)CC2=CC=C(C=C2)Br 1 3.705 1 3 -14.0704102140801 3877531 CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)[N+](=C(N2)OCC4=CC=CC=C4Cl)C 1 4.734 4 3 0 -0.668868417788841 3877522 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CCC3=CNC4=CC=CC=C43 1 2.199 4 4 0 -23.5010572999275 3877478 CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 4.649 1 6 0 -10.6459906425735 3877450 CCC(C)NC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C 1 2.454 5 3 0 -13.3250016382217 3877330 CCCN1C2=C(N=C1C3=CC(=CC=C3)F)N(C(=O)NC2=O)CC4=CC=CC=C4 1 4.28 4 2 0.910599270577386 3877173 CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl 1 4.207 2 7 0 -17.6515891862963 3876972 COC1=C(C=C(C=C1)C=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] 1 4.294 3 5 0 -9.49442973281423 3876917 C1CCCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-] 1 2.435 6 3 0 -0.466146493719904 3876908 CCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC 1 2.841 2 3 -12.9172956970773 3876905 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CC2=CC(=CC=C2)C(F)(F)F)N 1 2.411 3 5 0 -13.6776028582391 3876739 CCOC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O 1 3.507 5 4 0 -22.4664266328471 3876712 CC(C)C(C(=O)OCC(=O)NC(=O)CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 4.015 2 5 0 -18.07130684892 3876709 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NNC(=N3)N 1 0.375 6 4 0 -24.5078876950851 3876700 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCN3C(=O)C4=CC=CC=C4N=N3 1 4.301 6 3 0 -28.4514254186483 3876621 CC1=CC=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)Cl 1 2.863 3 3 -4.35596223128344 3876612 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=CC4=C(C=C3)NC(=O)N4)C 1 1.061 5 4 0 -13.6608901301697 3876543 C1=CC=NC(=C1)NNC(=O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F 1 0.457 5 4 0 -8.0777883112787 3876432 CC1=C(C=C(C=C1)NC(=O)CNC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)N(C)C 1 1.728 4 4 0 -14.9904979768818 3876420 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC3=CC=C(C=C3)OC 1 1.535 4 7 0 -30.4023969471705 3876359 C1=CC(=CC=C1OC2=CC=C(C=C2)S(=O)(=O)N(CCO)CCO)S(=O)(=O)N(CCO)CCO 1 -0.534 2 9 0 -5.27253385520303 3876283 CC1CCC(C(C1)OC(=O)COC(=O)C2=CC=C(C=C2)N)C(C)C 1 3.783 1 4 -4.35766807440995 3876216 CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC(=O)N 1 1.907 2 4 0 -11.0289454396524 3876178 CCC1=C(C=C(C(=N1)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3)C(=O)OCC)C#N)C 1 4.508 4 3 0 -19.226424109896 3876123 COC1=CC=CC=C1C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 0.657 3 7 0 -29.857692792346 3875844 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)N 1 2.085 3 3 -2.12654111557202 3875803 COC1=CC=C(C=C1)C(=O)NCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)OC 1 2.113 3 7 0 -16.1847822466405 3875781 CC1CCN(CC1)C(C2=CN=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CO4 1 4.132 3 2 -14.9119239009452 3875739 CC1CC(CN(C1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-])C 1 2.617 6 3 0 -3.75444772975308 3875712 CC(C)N1C(=O)C2C(C1=O)C(NC2C3=CC=CC=C3O)(C)C(=O)O 1 -2.023 2 5 0 -0.181649412449167 3875676 C1=CC=C(C=C1)C2=NC(C(=O)N2)(C(F)(F)F)NC3=CC=CC=N3 1 3.013 4 1 -0.685500890635276 3875592 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=C(C=C4)Br)F)C(=O)O 1 4.706 4 4 0 -10.0996405044513 3875514 C1CC1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O 1 2.512 3 4 0 -6.30230098133933 3875195 CCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(=NC(=O)C(=N4)C5=CC=CC=C5)S3)C1=O 1 4.248 4 3 0 -8.04327777573915 3875114 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C(=O)NC2=C(C=C(C=N2)Cl)Cl)C 1 3.744 3 5 0 -9.00971835597938 3875018 CC1C(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C 1 3.214 2 3 -11.6334158894463 3874979 CC1=CN=C(S1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 0.545 3 5 0 -21.5073206013039 3874960 CCCCNC(=S)N(C)N=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC)OC 1 5.172 3 4 0 -15.4831990675383 3874935 CCC1CCCCN1C(=O)CCC(=O)NC2=NN=C(S2)C(F)(F)F 1 2.221 4 2 -19.8035590746015 3874660 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCCC3 1 3.484 2 3 -17.9237314207106 3874602 CC(=NNC(=O)OC(C)(C)C)C1=CC=CO1 1 1.969 2 3 0 -6.64267756820265 3874493 CC1=NC=C(C=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.952 2 4 -3.27029303674252 3874060 CC(=O)C1C(C(=C(CC1(C)O)NC2=CC=C(C=C2)OC)C(=O)C)C3=CC(=C(C=C3)OC)OC 1 2.436 1 6 0 -14.5208858614961 3874047 CCCCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(CC)N(C)C 1 5.329 5 1 -15.4832718043389 3873808 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.454 4 5 0 -20.0488191583598 3873717 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC=CC=C3OC 1 3.331 2 3 -7.06224798083306 3873708 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)NC3=C(C=C(C=C3)F)F 1 1.839 3 3 0 -5.50790454158199 3873677 C1CN(CCN1C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4)C(=O)CCC(=O)O 1 3.208 4 3 0 2.20761904835199 3873636 CC(C)C(C(=O)NN=CC1=CC=CS1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.791 3 4 0 -20.4245243966595 3873635 C1=CC=C(C=C1)C(CC(=O)NCCC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3Cl 1 5.191 2 2 -14.7886493097221 3873364 CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)NCC3CCCCC3 1 4.66 2 2 -12.5861619675602 3873359 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NNC(=O)C2=CC=NC=C2 1 0.523 5 4 0 -8.16728850205438 3873318 CCC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 1 3.232 8 4 0 -27.5951240544891 3873263 CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)CNC(=O)C2=CC=CC=C2OC 1 1.911 3 6 0 -19.5414527349189 3873211 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2C#N)CCC3=CC=CC=C3 1 2.369 4 3 0 -7.99716704182723 3873152 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)F)C 1 3.099 2 5 0 -7.90128782628376 3873063 COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CCN3CCN(CC3)C4=CC=CC=C4 1 3.258 4 4 0 -1.14656612890012 3873033 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=CS2)C3=CC4=CC=CC=C4C=C3 1 2.367 3 3 -11.5770267798445 3873032 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 0.342 3 8 0 -32.8057577503966 3873028 CC(C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC(=C2)OC)OC 1 2.026 2 4 -17.6301785290735 3873021 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=C(C=C4)F)C 1 4.358 4 3 0 2.30979942208247 3872968 C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3Br)Br 1 4.526 2 4 -8.15770432770982 3872883 CSCCC(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl 1 1.328 1 6 0 -21.3755550221065 3872864 CC1=C(C=C(C=C1)C2=NN=C(SC2)NCCOC)[N+](=O)[O-] 1 2.397 4 3 0 -8.08963805805363 3872838 CC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2CCCC2 1 -0.647 1 3 0 -6.82143855400471 3872740 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=C(C=C3)NC(=O)C 1 1.399 4 5 0 -20.6400057625306 3872651 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C(=O)OCC)C3=CC=CC=C3 1 4.916 3 5 0 -16.5551526776783 3872628 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCCCC3 1 3.591 2 3 -7.21729454493763 3872606 CN1C2=C(C(=O)N(C1=O)C)N3CC(=NN(C3=N2)C4=CC=CC=C4)C5=CC=C(C=C5)Br 1 3.62 6 2 0 -6.75703399072032 3872498 C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] 1 2.9 3 5 0 -9.54717616297956 3872436 CC1=CC(=CC=C1)NC(=O)C2CC(CN2C(=O)OC3=CC=CC=C3)O 1 2.427 2 4 -1.91696009144567 3872425 C1CN(CCN1CCC(=O)NNC(=O)CCCC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4 1 3.018 5 2 0 -2.59955682126981 3872378 COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3CCCCC3 1 4.719 3 2 -13.7398985935182 3872332 CC1(C2(CCCCC2)OC(=O)N1CC3=CC=CC=C3)O 1 2.938 1 3 -1.31991749403337 3872290 C=CCC(C1=CC=CC=C1)NCC2=CC=CC=C2 1 3.917 1 0 -1.74249999995679 3872061 CCCCCCCC(=O)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 3.049 3 4 0 -14.1496645796301 3871907 C1C(C2=C(C=CC(=C2)O)OC1=O)C3=CC=CC=C3 1 2.965 0 3 0.207268446135389 3871799 CC1=C(C=C(C=C1)NC(=S)NCC2CCCO2)C 1 3.843 2 1 -12.0102023227967 3871678 CN1C=CN=C1C(C2=CC(=CC=C2)OCC3=CC=CC=C3)O 1 2.797 2 2 -6.0121966143314 3871612 C1=CC(=C(C=C1Cl)Cl)NC(=O)NCCCN2C=CN=C2 1 2.079 4 1 -4.40847715546428 3871588 CC(C(=O)NC1=C(C=C(C=N1)C(F)(F)F)Cl)Cl 1 2.962 2 1 2.32327264909176 3871470 CC1=CC=[N+](C=C1)C2=C(SC(=N2)[O-])C=NNC3=CC=C(C=C3)[N+](=O)[O-] 1 3.893 5 3 0 -6.81858511677825 3871414 CC(=O)C1=CC(=CC=C1)NC(=O)CC2C(=O)N=C(S2)NN=CC3=CC=CS3 1 2.664 4 3 0 -13.5940368119033 3871413 CC1=CC=C(O1)C=NNC2=NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)Cl 1 3.176 4 3 0 -8.05774510165901 3871275 COC1=CC=CC=C1C(CC(=O)O)C2=CC3=C(C=C2)OCO3 1 2.986 0 5 -8.8262755954087 3871137 CC1CCCN(C1)CC2=CSC(=N2)N 1 1.605 3 0 0 3.07971706136848 3870903 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)N 1 0.967 3 3 0 -14.932892022366 3870776 COC1=CC=C(C=C1)OCC2=CSC(=N2)N 1 1.846 2 2 0 1.24028238329308 3870573 C1=CC=C(C=C1)C(=O)C(C2=CC=C(C=C2)Cl)OC(=O)CNC(=O)CNC(=O)C3=CC=CO3 1 2.839 2 6 0 -16.961093202618 3870514 CC(C(=O)N1CCC2=CC=CC=C2C1)OC3=CC=CC=C3 1 3.221 1 2 -12.4697443013739 3870203 C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-] 1 1.134 2 6 0 2.60586391243293 3870176 COCCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3 1 1.146 4 3 0 -10.5298204830942 3870175 C1COCCN1C2=C(C=C(C=C2)N)S(=O)(=O)NC3=C(C=CC(=C3)Cl)Cl 1 2.749 3 3 0.362792224875913 3870153 C1CCC(C1)NCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.156 4 3 0 -2.6591908710367 3869999 CCCCC(=O)N1C2=C(C(C3=C1N(C(=O)N(C3=O)C)C)C4=CC=CC=C4)C(=O)C5=CC=CC=C52 1 3.659 3 4 0 -18.0197439259993 3869755 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2CCCO2 1 2.5 1 3 -6.17138612817408 3869750 C1CCC(=CC1)CCNS(=O)(=O)C2=CC(=CC=C2)Br 1 3.816 1 2 -6.25266351507158 3869589 CCC1=CC=CC=C1NC(=O)N2CCC3=CC=CC=C3C2 1 3.752 2 1 -10.8242646557557 3869511 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCOCC3)CC(=O)OC 1 -0.439 5 5 0 -18.1426425623469 3869509 CC1=NC(=NN1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC 1 1.464 4 4 0 -3.30299418868634 3869059 C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)NN=CC4=CC=CC=C4 1 1.711 6 2 0 0.674691647980518 3868801 CCOC1=CC=CC2=C1OC(=C2)C(=O)C 1 2.497 0 3 -0.61949577015928 3868667 C1=CC(=CC(=C1)Cl)CC2C(=O)N=C(S2)NN=CC3=CC=CS3 1 4.609 3 1 -4.18232161868271 3868531 CC1=NC2=C(N1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.285 4 3 0 -8.19711755961493 3868492 CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=CC=CS3)C(=O)C1)C 1 1.449 4 1 0 -22.1341291521807 3868449 COC1=C(C=C(C=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4F)OC 1 3.591 3 3 -0.932166750109066 3868314 CCCCNC(=O)N1CCN(CC1)C(=O)C2=CC=CO2 1 1.18 3 3 0 -12.3349531367537 3868220 CC(C)N(CC1=CC=CC=C1)C(=O)CC(=O)N(CC2=CC=CC=C2)C(C)C 1 3.794 2 2 -6.40736884943181 3868218 CC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=CC=C1Br 1 2.523 1 4 -19.324605396348 3868055 C1CC2=C(C1)SC(=C2)C(=O)NCCO 1 1.379 1 2 0 -10.1358413102409 3867558 CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3 1 3.601 3 2 -5.92724574345311 3867370 C1=CSC(=C1)C=NNC2=NC(=O)C(S2)CC3=CC=C(C=C3)Cl 1 4.609 3 1 -3.30891926420652 3867252 CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)O 1 2.156 4 4 0 -14.7116578192965 3867243 CN1C(=O)C2=C(NC(=O)C2CC(=O)O)N(C1=O)CC3=CC=CC=C3 1 0.255 3 5 0 -16.2185574733969 3867240 COC1=CC=C(C=C1)C2=NNC(=S)N2CC3CCCO3 1 2.444 3 2 -9.23260157571567 3867136 COC1=CC=CC=C1NC(=O)NCCC2=CCCCC2 1 3.257 2 2 -13.7783477027429 3867124 CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CCC(=O)O 1 2.344 3 4 0 -17.196548131428 3866965 CC1CCC2=C(N1C(=O)C3=CN=CC=C3)C=CC(=C2)F 1 2.783 2 1 -9.05989491308285 3866865 CC(CN1CCCCCC1)C(=O)NN 1 0.766 3 1 0 -6.09429924198778 3866862 CC1=C(C=CC(=C1)OC)NC(=S)NCCC2=CC=CC=C2 1 4.886 2 1 -10.5600717911052 3866743 C1=CC=C(C=C1)CN(C2=CC=CC=C2Cl)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl 1 5.065 1 4 -11.707960804493 3866685 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC(=C(N=C2)Cl)Br 1 2.229 2 4 -13.5367050872059 3866644 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)Cl)N 1 2.749 3 3 -3.24537996058512 3866519 CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(=O)OC)C 1 2.778 0 6 -4.83339977126446 3866465 C1C(SC(=NC1=O)NN=CC2=CC=CO2)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.695 4 3 0 -5.21241971903914 3866324 CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=C(C(=CC=C3)OC)OC)C(=O)C1)C 1 1.673 4 3 0 -22.6506590697499 3866232 C1C2C3C(C1C4C2C(=O)N(C4=O)CCC(=O)O)SC5=C(C3C6=CC=CC=C6)SC(=O)N5C7=CC=CC=C7 1 3.699 2 5 0 -14.4146844383183 3866144 C1COCCN1C2=NC(=NC=C2F)NN=CC3=CC=C(O3)C4=CC=C(C=C4)Br 1 3.481 5 2 0 -0.985669838169169 3866131 CCC1CCC(CC1)NC2CCCCNC2=O 1 2.462 2 1 -12.8736805925625 3865966 CC1=C(C=C(S1)C(=O)O)C2=CC=C(C=C2)OC 1 3.06 0 3 1.41857403917591 3865731 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NNC(=O)COC2=C(C=C(C=C2)F)F 1 1.92 4 5 0 -9.44944973564908 3865677 CC(C(=O)NN)OC1=CC=CC=C1F 1 0.865 2 2 0 -6.59839378672955 3865676 CCCCCCCCNC1=NC(=O)CS1 1 3.459 2 1 -10.0068899985549 3865674 CC1=CC=C(C=C1)OCC2=CSC(=N2)N 1 2.349 2 1 1.79852516363678 3865568 CC1=CC(=C(C=C1)N(C2=NC(=CS2)CCl)C(=O)C)C 1 3.517 2 1 -2.14624218546778 3865566 CSCCC(C(=O)O)NS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl 1 2.363 1 4 -19.7788214549144 3865487 COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 1.825 2 7 0 -9.87903902912749 3865423 CC(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)OC(=O)C 1 3.544 1 3 -10.9696866249605 3865418 CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])Br 1 4.552 4 5 0 -9.99562184947867 3865136 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCl 1 1.973 2 3 0 -18.0947844501077 3864782 CCCN1C2=C(C(=O)CN2)C(=O)N(C1=O)C 1 -0.139 3 3 0 -10.5706577438442 3864541 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)[O-].[Na+] Na+ 1 -0.298 2 3 0 -5.633369866666 3864482 CCOC(=O)N1CCC(CC1)NC(=O)C2=CN=C3N(C2=O)CCS3 1 9.e-003 4 4 0 -14.6695644836495 3864422 C1CN(CCC1CC2=CC=CC=C2)C(C3=CC=CC=N3)C4=CC(=C5C=CC=NC5=C4O)Cl 1 5.953 3 1 5.64930519112302 3864297 CCOC(=O)N(C)OC(=O)NC1=CC(=C(C=C1)Cl)Cl 1 3.102 2 4 -1.69771174341366 3863734 CC1=CC(=NNC2=NC(=O)C(S2)CC(=O)NC3=CC=CC=C3)CC(C1)(C)C 1 3.577 4 2 -15.2727959939531 3863750 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)O 1 2.731 1 3 -16.3269336006976 3863748 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)NN 1 -0.329 4 2 0 -9.03623963972522 3863746 C1C(N(CC2=CC=CC=C21)C(=O)COC3=CC=C(C=C3)Cl)C(=O)O 1 3.018 1 4 -4.94199226689467 3863745 C1CN=C(SC1)NC2=CC(=C(C=C2)Cl)Cl 1 3.622 2 0 -5.16054173872969 3863654 C1=CC=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])NC2=S 1 4.378 3 2 -2.27166354963684 3863503 CC1CCCCC1NC(=O)CSC2=NN=C(O2)COC3=CC=C(C=C3)Cl 1 3.949 3 3 -22.0099644086063 3863406 C1COCCN1C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.168 2 2 -5.35079172317471 3863359 C1C(=O)N(C(S1)C2=CC=CC=C2)CC3=CC=CC=N3 1 2.31 2 1 -11.1040973481314 3863297 CC(C)CC(C(=O)NC(=O)NCC1=CC=CC=C1)NC(=O)C 1 1.513 3 3 0 -16.971940352476 3863277 CCN(CC)C(=O)C1CCCN(C1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl 1 3.141 6 1 0 -1.88511064171682 3863202 CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CC=C(C=C5)OC)C(=O)C1)C 1 5.098 4 2 -26.2478350931049 3863053 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.372 4 4 0 -16.6789012758198 3862719 CC1=C(C(=NN1C)C)NS(=O)(=O)C2=CC=C(C=C2)C(=O)C 1 1.135 3 3 0 -6.60321633648463 3862252 CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=CC(=CC=C3)OC)C(=O)C1)C 1 1.689 4 2 0 -19.9935275319218 3862197 CCCCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N4C=CC=C(C4=N2)C 1 3.788 4 3 0 -19.9988230822119 3862172 CC1CN(CC(O1)C)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.532 3 1 4.04691930760634 3862126 COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)O)C3=CC=CC=C3OC 1 2.766 1 5 -10.0627591912631 3862082 C1CN(CCC1C(=O)O)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 0.793 3 7 0 -17.6547975283123 3861969 C1CN(C(C2=CC=CC=C21)CC(=O)O)S(=O)(=O)C3=CC=C(C=C3)F 1 2.569 1 4 -16.8245248220605 3861963 CC1=C2C(=O)C=C(N=C2N(N1)C3=CC=C(C=C3)Cl)CCl 1 2.292 3 1 -2.32324700410286 3861962 CC1=CC(=NO1)NC(=O)C(C)SCC(=O)O 1 0.535 2 4 0 -18.4440136916765 3861893 CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.142 2 3 1.76418867652122 3861485 CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)OC)[N+](=O)[O-] 1 3.158 3 6 0 -15.5975650758366 3861185 CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5 1 5.1 5 4 0 -8.87381047483681 3861168 C=CCNC(=S)N1CCN(CC1)C2=CC=CC=C2Cl 1 4.104 3 0 -9.95696254852981 3861164 C[N+](C)(C)C(CC1=CNC2=CC=CC=C21)C(=O)[O-] 1 -0.694 2 2 0 -3.76460717358521 3861140 COC1=C(C=C(C=C1)NC(=S)NC23CC4CC(C2)CC(C4)C3)OC 1 4.622 2 2 -11.2721113435521 3861071 COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-])NC(=O)C3=CC4=CC=CC=C4O3 1 3.872 3 6 0 -11.5705856943605 3860882 CCCOC1=CC=CC=C1N2C(=O)CC(C2=O)N3CCOCC3 1 1.559 2 4 0 -1.63704380805599 3860640 CC1=CC=CC2=C1NC(=O)C2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O 1 3.765 1 3 1.9526761813958 3860526 C1CC(OC1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.065 2 2 -19.860885135985 3860102 C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=C(C=CC(=C3)Cl)OCC4=CC=C(C=C4)F)N5CCCC5 1 4.933 7 1 0 3.36499791251325 3859876 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC(CNC(CO)(CO)CO)O 1 1.233 2 4 0 0.627242228798541 3859872 CC1C(=CC2=CC=CC=C2O1)C=NNC(=O)C3=CC=CC=C3 1 3.118 2 2 -5.58582363458727 3859741 COC1=C(C=CC(=C1)C2CC(=NN2C(=O)CCl)C3=CC=CS3)OC(F)F 1 4.027 2 3 -7.50200847751271 3859359 CC(=NN=C(N)N)C1=C(C=C(C=C1)Cl)Cl 1 2.172 4 0 4.66919430472222 3859261 CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=CC=C(C=C3)Br)C(=O)C1)C 1 2.454 4 1 -19.7597170667922 3859048 CC1=C(C=C(C=C1)OC(C)C(=O)O)C 1 2.751 0 3 -6.23001454752105 3858914 C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)O 1 2.222 1 4 -12.6713325107669 3858898 CC1=C(C=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC)C 1 4.145 1 3 -4.55969525557133 3858776 CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)C)C(=O)C 1 2.483 1 2 -6.90221280773803 3858561 CC1=CC(=CC(=C1)NC(=O)N2CCC3=CC=CC=C3C2)C 1 3.782 2 1 -9.149959486631 3858114 CC1(CC(=O)C(=C2SCCCS2)C(=O)C1)C 1 2.284 0 2 -10.0828679882263 3858011 CC1=CC=C(C=C1)N2C(=O)CCSC23C4=CC=CC=C4NC3=O 1 2.972 2 2 -6.71406877101607 3858008 C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC5=CC=CO5 1 2.771 2 3 -8.23868192936534 3857990 CC1=CC=CC=C1C(=O)NC(CCSC)C(=O)O 1 1.817 1 3 0 -20.7976068527434 3857706 CC1=C(C(=NN1)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.045 4 3 0 -4.65313213404276 3857330 C1CN(CCC1(C#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F 1 4.867 2 3 -13.1671397228686 3857241 COC1=CC(=C(C=C1)C(=S)N)OC 1 1.667 1 2 0 -1.78360646607587 3856707 COC1=CC(=C(C=C1)NC(=O)N2CCC3(CC2)OCCO3)OC 1 1.184 2 5 0 -12.0246370819974 3856639 CC(C1=NNC(=S)N1C2=CC=C(C=C2)Cl)N(C)C 1 3.168 4 0 -2.41659464205058 3856622 CC(C1=CC=CC=C1)NC2=NCCS2 1 2.615 2 0 -7.8645575038838 3855720 C1CCC(=O)N(CC1)CC(=O)O 1 0.229 1 3 0 -16.2997952330106 3855527 CC(CCC1=CC=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 3.446 1 4 -8.87065147762424 3855458 CCCCOC1=CC=CC(=C1)NC(=O)CSC2=NC=CN2C 1 2.955 3 2 -10.3321366225157 3855422 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])OC 1 2.818 3 6 0 -3.68851967616704 3855313 C1=CC=NC(=C1)NC(C2=CC=C(C=C2)F)C3=C(C(=O)C=C(O3)CO)O 1 1.718 2 4 0 -0.959824847884665 3855039 CC1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(S2)Cl 1 2.437 2 2 -0.302691043531202 3854988 CCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC 1 3.192 3 5 0 -20.978597121588 3854833 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-] 1 3.23 3 5 0 -12.1302850248152 3854734 COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)OCC3CO3 1 2.929 0 4 -4.16562566964964 3854730 COC1=CC=C(C=C1)N2C3=CC=CC=C3NC2=S 1 4.467 2 1 -2.51251407066418 3854694 COC1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl 1 4.384 1 5 -12.1275827462241 3854514 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 4.412 3 4 0 -8.53335131791904 3854383 C1=CC2=C(C=C1NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F)NC(=O)N2 1 2.505 3 2 -14.0649238755088 3853846 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl 1 3.152 5 5 0 -15.3437194738868 3853692 CC1=C(C=C(C=C1)C2=CN(C(=S)N2)C3=CC=CC=C3)C 1 4.807 2 0 -0.301632113727197 3853330 CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C(=C2)C)OCC(=O)N3CCOCC3)C 1 3.836 2 5 0 -15.6285150299834 3853327 COC(=O)C1=CC=CC=C1C2=CC=C(O2)C=NNC3=NC(=NC(=N3)N4CCCC4)N5CCCC5 1 3.557 7 3 0 -4.55582544980772 3853257 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)N 1 2.677 2 3 -10.9364328248337 3853249 CC(CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)C2=CC=CC=C2 1 2.39 2 3 -14.481518648717 3852949 CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-] 1 3.267 4 4 0 -15.9530313888586 3852844 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=C(C(=CC=C3)Cl)Cl 1 3.885 2 4 -13.5852345075115 3852812 CN(C)C1=CC=C(C=C1)C(CN)C2=CNC3=CC=CC=C32 1 3.064 3 0 -2.63047947087301 3852748 C1COCCN1C2=C(C=C(C=C2)C3=NN=C(C4=CC=CC=C43)N5CCOCC5)[N+](=O)[O-] 1 2.58 5 4 0 -4.55900419331953 3852318 CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)O)C3=CC(=C(C=C3)OC)OC 1 3.253 1 5 -13.1766112808202 3852288 C1CCCC2=C(CC1)C=C(S2)C(=O)NN 1 2.589 2 1 -7.18746781864448 3852223 C1CCC(CC1)NS(=O)(=O)C2=CC=C(S2)Br 1 2.953 1 2 -6.37515704703158 3852177 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)O 1 0.774 3 4 0 -11.1134746471096 3852093 C1=CC=C(C=C1)CC(=O)C2=CNC(=C2)C(=O)NCCCN3C=CN=C3 1 1.666 4 2 0 -4.44828188048666 3852091 CSC1=NC2=C(C=CS2)C(=O)N1 1 1.817 2 1 0 -7.62298399628668 3852056 COC1=CC=C(C=C1)C(=O)ON=CC2=CN=C(C=C2)S(=O)C3=CC=C(C=C3)Cl 1 4.187 2 4 3.76857484607158 3852045 CC1=CC(=NN1C2=NC3=C(C4=C(S3)CCCC4)C(=N2)SCCN5CCOCC5)C 1 4.578 5 1 -13.6715645812541 3852012 CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)Cl)C4=CC=CC=C4 1 3.495 9 2 0 -19.9644501059625 3851983 CC1=C(C(CC(=O)N1)C=NOCC2=C(C=C(C=C2)F)Cl)C#N 1 1.818 3 2 0 -7.5874514041366 3851973 CC1(C(=O)NC2=CC=CC=C2O1)C(=O)NCC3=CC(=CC=C3)OC 1 1.907 2 4 0 -10.7695072659473 3851909 CN1CCN(CC1)C2=NC3=C(N2CCSC4=NN=NN4C5=CC=CC=C5)C(=O)N(C(=O)N3C)C 1 1.56 10 2 0 -22.55716648159 3851907 COC1=CC=C(C=C1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCCN5CCOCC5)N 1 2.463 6 3 0 -15.5347416250921 3851890 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=C3)C4=CC=CO4 1 2.586 8 3 0 -24.1444586191834 3851861 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=NC=CN=C3 1 1.726 6 1 0 -15.5557448607843 3851827 CN1C2=C(C(NC1=O)C3=CC=C(C=C3)O)C(=O)N(C2)C4=CC=CC=C4 1 1.633 3 3 0 -11.4965147101569 3851778 CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C3C(=C(C(=O)OC3=C2)CC(C)O)C)Cl 1 3.889 1 7 0 -13.9293660489197 3851775 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C4 1 4.668 2 6 0 -10.4424521229382 3851770 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2CCC(CC2)C 1 3.346 2 5 0 -18.8008104811901 3851768 C1CC(OC1)CNC(=O)C2=CC=C(C3=CC=CC=C32)F 1 2.51 1 2 -10.703133956663 3851766 CCN(CC)C1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=C(C=C2)OC 1 2.414 3 3 -2.73364016537528 3851724 CC1C=CCC(C1C(=O)CC(C)N(C(=O)C)NC(=O)N)(C)C 1 1.138 3 3 0 -6.73025168673034 3851670 COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CC(=NO2)C3=CN=CC=C3 1 0.175 4 5 0 -10.4226593930526 3851669 COC1=CC=C(C=C1)C(=O)C2CN(CC2C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 5.546 1 2 3.79796762235074 3851660 CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)C3=CC(=C(C=C3)C)C)C(=O)C 1 1.447 3 5 0 -10.5486799868003 3851653 CC(C)OP(=O)(C(C1=CC=CC=C1F)O)OC(C)C 1 2.397 0 4 -4.31096197736111 3851645 CN1C(=CN=C1SC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N(C)C 1 3.283 4 1 -0.858477536060461 3851618 CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N 1 4.619 3 1 -10.7657935919805 3851617 CC1=C(C(=NO1)C)C(=O)NC2=CC(=C(C=C2)F)F 1 1.907 2 2 0 -8.64385101715377 3851603 CCOC(=O)CNC1=NC(=C(S1)C#N)Cl 1 1.263 3 2 0 -6.37179173902232 3851581 C1=CC(=CC=C1C2=NC=C(S2)C(=O)C3=C(C=C(C=C3)Cl)Cl)Cl 1 5.899 1 1 7.98395973864134 3851546 CC1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)C 1 2.597 2 2 -13.3508320340324 3851538 CCOP(=O)(C(C1=CC=C(C=C1)F)NC2=CC=CC=N2)OCC 1 3.027 2 3 -3.90704497298995 3851518 CN(C1=CC=CC=C1)C2=NC(=NC(=C2)CSC)C3=CC=CC=N3 1 3.37 4 0 -0.284149058565761 3851516 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=C(C=C4)O 1 4.112 4 3 0 9.28327501359532 3851507 C1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC3=C(C4=C(S3)CCC4)C#N)C#N 1 4.388 4 1 -29.2774516769667 3851498 C1CCCC2=NC3=CC=CC=C3C=C2CC1 1 4.449 1 0 -0.885070862511492 3851493 CCN(CC)C1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=CC=C2OC 1 2.414 3 3 -6.3507502744213 3851458 CC1=NNC(=O)C2=CC=CC=C2O1 1 0.861 2 2 0 -6.74951369858024 3851453 CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CC(=O)OC3=CC=CC=C3)O)O 1 6.7e-002 2 7 0 -18.1315756436154 3851304 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(C4=CNC5=CC=CC=C54)O 1 2.995 3 3 2.78109995417921 3851189 CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NCCC1=CC=C(C=C1)F 1 3.208 2 3 -8.26999555496555 3851137 CCCN1CCC(CC1)NC2CCC(CC2)O 1 1.388 2 1 0 4.18909313170923 3851076 COC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC4=CC=CC=C4O3 1 3.872 3 6 0 -11.2139709935008 3851073 C1COCCN1CCCNC(=O)C2=CC(=CN2)C(=O)CC3=CC=CC=C3 1 1.751 3 3 0 -8.15129906960078 3851071 CN(C)C=NC(=O)C1=CC(=CN1)C(=O)C2=CC=CC=C2Cl 1 2.663 3 2 -3.31034514371079 3851062 CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCCN3C=CN=C3 1 3.031 4 2 -1.33822130726837 3851053 CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)CC(=O)OC)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.349 1 7 0 -14.1592301746931 3851039 C1=CC(=C(C=C1NN)C(=O)O)Cl 1 1.399 2 2 0 -2.3164523000381 3850974 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(SCC3=O)C4=CC=C(C=C4)F 1 2.537 3 2 -17.521466743893 3850948 C1=CC(=CC=C1C(=O)NCCCN2C=CN=C2)C(F)(F)F 1 1.784 3 1 0 -2.0914290525466 3850869 C1COCCN1CCNC2=NC=NC3=C2NC4=C3C=C(C=C4)F 1 1.88 5 1 0 3.23818189930868 3850729 C1=CC2=NC(=CN2C=C1Cl)C3=CC=C(S3)Br 1 3.703 2 0 1.45596868697436 3850727 CON=CCC(=O)C1=CN=C(S1)C2=CC=CC=C2 1 2.18 2 2 2.28918255521911 3850682 CC(C)OC1=CC=C(C=C1)C(CCN(CC2=CC(=C(C=C2)OC)OC)C(=O)CCl)C3=CC=CC=C3 1 6.017 1 4 -14.6879817195905 3850620 CCOC(=O)C1C2CC=CC2C3=C(N1)C=CC(=C3)C(=O)O 1 2.201 1 4 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CCOC(=O)CSC1=NN=C(S1)NC(=O)NC(C)C 1 1.285 4 3 0 -27.2894318587598 3850230 CCOC(=O)NC(=O)C(=NNC1=CC(=CC=C1)Cl)C#N 1 2.574 4 3 0 -0.421824285203932 3850228 C1=CC=NC(=C1)C(=NOCC2=CC=C(C=C2)[N+](=O)[O-])N 1 1.694 4 3 0 -1.65766373624827 3850181 C1=CC=C(C=C1)CCOC(=O)C2=CC(=C(C(=C2)O)O)O 1 2.864 0 5 1.1724834086484 3850168 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3=CN=CC=C3 1 2.281 4 3 0 -3.7792171405256 3850074 CN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC=CC=C3Cl)Cl 1 5.675 2 0 0.122941661878353 3850065 CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C(=O)C(=O)NC(C)C 1 2.711 3 4 0 -13.9686840424986 3850056 CC1=NN(C(=C1C#N)OC2=CC(=CC=C2)Cl)C 1 2.99 3 1 0.547452256967617 3850032 C1CN(CCN1CC(=O)N2CC(CO2)O)C3=NC(=CC=C3)Cl 1 1.1e-002 4 3 0 -0.466716797827381 3850004 COC1=CC=C(C=C1)N2C(=CC(=O)C(=N2)C(=O)N)O 1 1.243 3 4 0 -2.55603636341446 3849990 CC1=CC=C(C=C1)N2C(=O)C3CC3C2=O 1 1.573 1 2 0 -1.50025985404421 3849988 C1=CC(=CC(=C1)Cl)CN2C(=CC=C(C2=O)C(=O)N)C(F)(F)F 1 2.264 2 2 -0.257506517941586 3849976 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C1C2=CC=CC=C2C(=O)N1C(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.233 2 5 0 -12.3549877517564 3847361 CS(=O)(=O)NCCNC1=C(C=C(C=N1)C(F)(F)F)Cl 1 1.617 3 2 0 -0.420624594500639 3847358 CCS(=O)(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1S(=O)(=O)CC)C(=O)OC 1 2.467 1 6 0 -11.5561109551099 3847356 CC(C)C1CC2=C(CO1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3 1 4.608 3 2 -21.938822925456 3847345 C1CN(CCC1(CN2CCN(CC2)CC3=CC=CC=C3)O)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.579 3 3 -4.69263595081929 3847344 CCOC1=CC=C(C=C1)N2CCC3=C(N=C(N=C32)SC)C 1 3.461 3 1 -1.9894608428439 3847343 C1=CN=C(N=C1)OC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)Cl 1 3.949 3 3 -1.12076761339841 3847340 COC1=CN=C(N=C1OC2=CC=C(C=C2)Cl)C3=CC=CC=N3 1 3.696 3 2 8.87737335536009 3847334 C1C2CC3(CC1CC(C2)(C3)Cl)C4=CSC(=N4)N 1 2.907 2 0 8.36588675449568 3847276 CCCN(CCC)C(=O)CC(C1=CC=CC=C1)C2=CC=CO2 1 3.948 1 2 -12.6821034302093 3847272 C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C(SC3=O)CC(=O)NC4=NC=CS4 1 2.76 3 3 -7.04054685913887 3847246 CC1=C(N=C2N1CC3=CC=CC=C32)C4=CC=C(C=C4)OC 1 3.677 2 1 6.12741301613363 3847167 CCCCNC1=NCCS1 1 1.982 2 0 0 -9.10033621494823 3847199 CC(C)C1=C2CCCCC2=C(C(=N1)Cl)C#N 1 4.357 2 0 -2.45561294010723 3847098 C1CCC(C1)NC2=CC(=O)CC(C2)C3=CC=CC=C3 1 3.077 1 1 -9.45183413613414 3847057 CC1=CC(=C(C(=C1)C)OCCCN2C=CN=C2)C 1 3.076 2 1 2.22326165332551 3846974 C1=CC(=CC(=C1)Cl)C(=O)OC2=CC=C(C=C2)C=NNC3=CC=C(C=C3)C(=O)O 1 5.174 2 4 -4.56521099901817 3846963 C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=CO5 1 2.095 2 6 0 -17.0317092635384 3846962 CC(C)CCNC1=NC(=C(C(=N1)NC2CCCCC2)[N+](=O)[O-])N 1 2.909 6 2 0 -7.22892653769055 3846946 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)N3CCC4=CC=CC=C4C3 1 3.128 2 2 -10.6349632764255 3846910 CC1=CC=CC=C1NC(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)N5CCOCC5)N 1 4.458 4 2 -11.7331563627726 3846782 CC1=CC=C(C=C1)CN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)N5C=CC=CC5=N3 1 3.71 4 3 0 -18.8156844340846 3846746 CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=CC=C2F)O 1 3.186 1 3 -6.68564257351718 3846713 C1=CC=C(C=C1)C(=O)NC(=NC2=NC3=CC=CC=C3O2)NC(=O)C4=CC=CC=C4 1 4.17 4 3 0 -2.08630316787382 3846708 C1=CC=C(C(=C1)NC2=CC=C(C=C2)O)[N+](=O)[O-] 1 3.032 2 3 1.75830917448016 3846689 COCC1=C(C=C2C(=O)C3=C(C=CC(=C3)F)OC2=N1)C(=O)OC 1 2.432 1 5 -1.0958279056203 3846671 C1=CN=C(N=C1)OC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F)Cl 1 3.49 3 3 -1.4147602770015 3846667 COC1=CN=C(N=C1OC2=CC=CC=C2Cl)C3=CC=CC=N3 1 3.696 3 2 4.98009627377219 3846659 CC1=NN(C(=O)N1C2=CC=CC=C2F)CC#N 1 1.134 4 1 0 -4.96054100195438 3846585 CC1CN(CC(O1)C)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.537 2 2 -4.75500342564351 3846584 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.417 2 4 -17.4657532096301 3846477 CC(C)C1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC=C 1 3.856 2 1 -15.1255294375335 3846447 CC1=CC=C(C=C1)C2=NN(C3=NC4=CC=CC=C4N3C2)C 1 3.433 4 0 2.20439372302928 3846310 C1=COC(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-] 1 1.026 3 4 0 -1.50150154692549 3846309 CON=CC(C#N)C1=C(C=C(C=N1)C(F)(F)F)Cl 1 2.362 3 1 3.17196191743713 3846301 CC1=NCCN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 0.704 3 4 0 -13.4649432641254 3846249 CC(C)NC(=S)NC1=C(NC(=O)NC1=O)N 1 -0.397 5 2 0 -18.0192061162555 3846206 CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.926 2 8 0 -13.4774525309068 3846110 CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CSC(=N4)C)CC=C 1 4.789 3 1 -29.5860313859807 3846024 COC1=CC=CC(=C1)C(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 1 2.058 1 4 -14.8366172656954 3845999 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)OC 1 2.726 5 4 0 -11.0246042685213 3845996 C=CCSC1=NC2=CC=CC=C2N3C1=NN=C3 1 2.938 4 0 -3.45419415320367 3845990 C1CC2=CC(=O)N(N=C2C3=CC=CC=C31)CC4=CC(=CC=C4)Cl 1 4.462 2 1 1.48872208360339 3845979 CN1C2=CC(=C(C=C2N=C1N=NC3=C(C=C(C=C3)OC)OC)Br)Br 1 5.926 4 2 8.91368876486237 3845940 C1CCN(C1)C2=NC(=NC(=N2)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NCC5=CC=CO5)N6CCCC6 1 3.42 8 2 0 -15.4622777476718 3845896 CC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)C3=CC=CC=C3O)Cl 1 3.987 3 2 4.76335807914101 3845886 CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 4.491 2 1 -0.433378693849196 3845874 CC1=CC(=NC(=N1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)OC)C(F)(F)F 1 3.801 5 2 0 -3.68043400061986 3845873 COC(=O)C1=C(C2=CC=CC=C2S1)N3C=CC=C3C(=O)C(=O)NC4=CC=C(C=C4)F 1 4.882 2 4 -1.71231391570064 3845871 C1CCN(CC1)C2=CC(=O)NN=C2C3=CC=CC=C3 1 2.135 3 1 -6.21032230052581 3845864 COC(=O)C1=CN2C=C(N=C2C=C1)C3=CC(=CC=C3)N 1 1.626 3 2 0 0.487276269697484 3845863 CCOC(=O)C(C)SC1=NC=CN=C1 1 1.149 2 2 0 -8.88494119729297 3845860 CN1C2=CC=CC=C2C(=C1N3CCOCC3)C#N 1 2.182 3 1 -3.90707814244292 3845823 C1C(=O)N(C2=CC(=C(C=C2O1)N)Cl)CC3=CC=CC=C3 1 2.327 2 2 1.2151084448062 3845785 COC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2N3C(=O)C4C5C=CC(C4C3=O)C6C5C6)OC 1 2.571 2 5 0 -10.7866080461443 3845722 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4CCC(C3C(=O)O)O4 1 2.198 1 6 0 -15.0996701089882 3845662 CC1=C(C(=NN1)NC2=CC=C(C=C2)C(C)C)[N+](=O)[O-] 1 2.96 4 2 2.21609243283034 3845630 CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=CS3)C(=O)N1CC4=CN=CC=C4 1 1.267 4 2 0 -13.8798843069121 3845617 C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)O 1 3.652 1 3 -5.49461594376424 3845545 COC1=CC=CC=C1OCC2=CSC(=N2)N 1 1.846 2 2 0 -2.12023375512619 3845516 C1C=CC2C1C(NC3=C(C=CC(=C23)Cl)C(F)(F)F)C(=O)O 1 3.604 1 2 -0.996685287843395 3845512 CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)NNC(=O)CCC(=O)O)C3=CC=CC=C3 1 2.205 2 8 0 -12.6588644265653 3845446 CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3C(=O)C4=CC=CO4)C5=CC=C(C=C5)OC 1 5.187 3 4 0 -4.60559206908477 3845429 CC(C)C1CC2=C(CO1)SC3=NC(=S)SC(=C23)N 1 3.277 2 1 -2.26932996380223 3845290 CN1C(=O)N(C(O1)CC(=O)O)C2=CC=C(C=C2)Cl 1 1.616 2 4 0 -8.12984763926699 3845289 CC(=O)C1=CN(C(=O)N(C1=O)CC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl 1 3.12 2 3 -5.27445759841765 3845259 C1=CC2=C(C3=C(C=C2)C(C(=C(O3)N)C#N)C4=CC=NC=C4)N=C1 1 1.897 4 1 0 -4.35225115528294 3845247 CC1=CC=C(C=C1)N2C(=NN(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C 1 3.162 4 3 0 -5.07879511953388 3845246 C1CN(CC2=CC3=CC=CC=C3N=C21)CC4=CC=CC=C4 1 3.89 2 0 0.77884826887779 3845245 C1CSC2=NC=C(C(=O)N21)C3=CC=CC=C3 1 1.957 2 1 0 -5.03197934177811 3845244 CCNC(=S)NC1=CC2=C(C=C1)N=CO2 1 2.386 3 1 -11.0069333038397 3845234 C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=CO3 1 2.048 3 2 -6.22008084074052 3845233 COC1=CC=C(C=C1)C2=CN3C=C(C=C(C3=N2)Cl)C(F)(F)F 1 4.107 2 1 6.44663272443221 3845232 CC1=NNC(=O)N1C2=CC=C(C=C2)C(C)C 1 2.186 3 1 -5.2428983449072 3845208 CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=N2)S(=O)(=O)N3CCOCC3 1 0.977 3 4 0 -24.8114324579207 3845193 CC1=NNC(=O)N1C2=CC=C(C=C2)OC 1 0.975 3 2 0 -5.93932425070298 3845192 C1=CC(=CC(=C1)N)C2=CN3C=C(C=C(C3=N2)Cl)C(F)(F)F 1 3.377 3 0 8.79285265399339 3845086 CCOC(=O)C1(C2=CC(=C(C=C2NC(=N1)C(F)(F)F)C)C)C(F)(F)F 1 4.186 2 2 4.85283023076259e-002 3845025 C1CCN(C1)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3O 1 3.238 1 2 -6.89516178405519 3845000 C1=CC=C(C=C1)C(CNCC2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O 1 4.291 1 1 0.963464680087076 3844983 COC1=C(C=C(C=C1)CNCC(C2=CC=CC=C2)(C3=CC=C(C=C3)F)O)OC 1 4.052 1 3 -2.92509701761209 3844957 CCCCCCCN1C2=CC=CC=C2N=C1NC(=O)CC 1 4.577 3 1 -6.20429020343557 3844901 CCOC(=O)CNC(=O)C1=CC=C(C=C1)OCC(F)(F)F 1 2.085 1 4 -13.9037109455685 3844891 CCC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2C1=O)NC(=O)OCC3=CC=CC=C3 1 3.754 2 6 0 -17.026102101692 3844882 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3C)C4=CC=C(C=C4)Cl)C 1 3.543 2 3 -14.7085487584434 3844861 C1=CC=C(C(=C1)C(=O)NC2=NC(=NC=C2)C3=CC=NC=C3)Cl 1 2.508 4 1 -1.78826000209481 3844809 CC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCC3CCC(CC3)C(=O)O 1 3.733 1 6 0 -18.7916141336671 3844681 C1=CC(=C(C=C1CN2C(=CC=C(C2=O)C(=O)N)C(F)(F)F)F)F 1 2.011 2 2 -1.82730868020054 3844607 CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)N3C(CC3=O)C4=CC=CC=C4 1 4.662 2 2 -5.11826741309783 3844563 CC1CCN(CC1)C2=NC(=NC(=C2[N+](=O)[O-])C)N3CCOCC3 1 1.229 5 3 0 -3.2404041220163 3844524 C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=C(C=C3)NCCO)[N+](=O)[O-] 1 1.661 4 4 0 -10.15887854523 3844416 C1=CC=C(C(=C1)C2=CC=NC3=NC=NN23)OCC4=CC=C(C=C4)F 1 3.96 4 1 -5.05286631492499 3844421 CN(C)C1=CC=C(C=C1)P(=O)(C(C2=CC=CC=N2)O)OC3CCCCC3 1 3.773 2 3 -6.10060398236715 3844431 CCCC1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)C(C)(C)C 1 4.491 2 2 -12.1194372671897 3844442 CC1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 4.827 4 0 -2.59853467689066 3844477 CCC1C(=O)N(C(=NN=CC2=CC=CO2)S1)CC3=CC=C(C=C3)F 1 4.349 3 2 -4.52577801216454 3844458 CC1=CC(=C(O1)C)C(=O)NN=C(C)C2=CC3=CC=CC=C3C=C2 1 2.967 2 2 -5.41170987485396 3844407 C1=C(C=C(C(=C1[N+](=O)[O-])O)N)S(=O)(=O)O 1 6.8e-002 2 6 0 -4.45678895629933 3844391 CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C(C)C)OCC 1 2.311 1 4 -13.9566469794817 3844389 COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(N=N3)CC(=O)NCC=C 1 2.683 5 2 0 -9.51267422684225 3844379 CCOC(=O)C1=CN=C2C(=C1OC(CN)C(F)(F)F)C=NN2C 1 1.123 4 3 0 -7.66320012270869 3844374 C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)Cl)S(=O)(=O)CC4=CC=C(C=C4)Cl 1 5.492 2 3 -5.68836584437625 3844333 CC1=CC(=NN1C2=NC(=CC=C2)F)C 1 2.459 3 0 -2.92101191415846 3844330 CC1=CC=C(C=C1)C2C(C3(C4CCCCCC4(O2)OC3=N)C#N)(C#N)C#N 1 3.06 4 2 -1.16960077349129 3844326 CC1CC(N2C3=C(C=CC=C13)C(=C(C#N)C#N)C2=O)(C)C 1 2.501 3 1 -4.62604634011443 3844314 CCOC(=O)CCCC1=CC=C(C=C1)C(=NNC(=S)NC)C 1 3.363 3 2 -17.9672873908454 3844247 C1=CC=C(C=C1)COC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC=CS5)N 1 4.561 4 2 -12.2204904318204 3844158 CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCC3=CC=CC=C3Cl 1 2.683 3 3 -6.05166735932641 3844136 CN(C)C=NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.878 3 5 0 -9.84388987573507 3844106 CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CO4 1 1.939 2 6 0 -20.4596716170749 3844097 CC(=O)NC1=NN=C(S1)SCC(=O)NCC2CCCO2 1 -7.4e-002 4 3 0 -27.0007956197932 3844024 CC1=CC(=NN1CC(COC2=CC=CC=C2Br)O)C 1 2.777 2 2 -6.28051010351611 3844013 C1=CC(=CC(=C1)Cl)C(C#N)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.787 2 0 5.93729106470569 3843974 CC1=NC(=NC2=C1CCC2)N3C=C(N=N3)C(=O)OC 1 1.961 5 2 0 -7.76054209931186 3843972 CC1=CC=C(C=C1)N2C(=NN(C2=O)CC#N)C 1 1.414 4 1 0 -6.29736642221934 3843962 C1=CC(=CC=C1C=NNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)F 1 4.87 2 3 -8.35263719200873 3843961 C1=CC(=C(C=C1CN2C(=O)C(=O)N(C2=O)CC(=O)O)Cl)Cl 1 1.723 2 5 0 -7.08573294661647 3843926 CN1C(=O)CC(C1=O)NNC(=O)C2=CC=C(C=C2)Cl 1 0.329 3 3 0 -5.85797142315677 3843899 CC1=NC2=C(C=CC=C2OC3=C4C(=CSC4=NC=N3)C5=CC=CC=C5)C=C1 1 5.198 3 1 2.06997162811536 3843896 C1CC(CC=C1)C=NNC2=NC(=O)C=NN2 1 0.823 5 1 0 -8.89917632648734 3843866 COC1=CC=C(C=C1)N2C(=O)CC(=C2N)C#N 1 0.628 3 2 0 -5.42917786986917 3843838 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NN=CC3=CC=CC=C3Cl 1 3.959 5 0 3.23014919689749 3843821 CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NN 1 -9.e-002 3 4 0 -5.69072363958376 3843815 CC(C)OC1=C(C=C(C(=C1)N2C=CNC2=S)Cl)Cl 1 4.125 2 1 -4.20858704018579 3843799 COC1=CC=C(C=C1)N2C(=O)CC3=C2N=C(C(=C3N)C#N)N 1 0.898 5 2 0 -6.38437340161391 3843742 C1CCN(CC1)C(=O)C2=CC=CC=C2S(=O)(=O)NCC(COC3=CC=C(C=C3)[N+](=O)[O-])O 1 2.088 3 7 0 -15.700989185773 3843736 C1CN2CC3CN1CC(C2)(C3=NNC(=O)C4=CC=CC=C4N)C5=CC=CC=C5 1 1.479 5 1 0 -5.63594321195196 3843706 CCN1C(=O)C2=C(N=C3N2CCCN3CC4=CC=CC=C4)N(C1=O)C 1 1.797 5 2 0 -9.22145958167746 3843686 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCCCN4C=CN=C4 1 1.842 7 0 0 8.50289035155493 3843652 C1=CC=C2C(=C1)NC(=O)C3=NN=C(N23)C(F)(F)F 1 1.686 4 1 0 -5.04447848765479 3864051 CCC1=CC=C(C=C1)N(C2=NC(=CS2)CCl)C(=O)C 1 3.487 2 1 -1.61819681303332 3863985 C1=CC=C(C(=C1)N2C=NNC2=S)F 1 2.141 3 0 -3.32902580935512 3863973 CSCCC(C(=O)O)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl 1 1.89 2 5 0 -19.2212238768809 3863971 C1=COC(=C1)CN2C(=NNC2=S)COC3=CC=C(C=C3)Cl 1 3.367 3 2 -3.48610478262599 3863948 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F 1 5.018 2 2 8.09263865465102 3863899 CCCN1C2=CC=CC=C2N=C1SC(C)C(=O)O 1 3.473 2 2 -7.19308665554654 3863897 CCC(C)N1C(=NNC1=S)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC 1 3.166 4 2 -15.0149822312273 3843417 C1=CC(=C(C=C1C2=CN=CN2)[N+](=O)[O-])N 1 0.674 4 2 0 4.21059615634318 3843351 CC1=CC(=C(C=C1)C)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 3.703 2 4 -8.42003424625333 3843339 C1C(C1C(=NO)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.343 1 1 2.14593411226438 3843299 C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O 1 4.173 2 4 2.41780926449972 3843296 C1COCCN1CCNC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 2.976 2 2 -11.6558245444488 3843231 C1CCC2=C(C1)C3=C(S2)N=C4C(CCCN4C3=O)C(=O)NN 1 1.403 4 2 0 -17.6614364913267 3843205 CCC1=CC(=C(C=C1)O)CNCCNCC2=C(C=CC(=C2)CC)O 1 3.954 2 2 5.82928630559173 3843172 CC1=NN(C(=O)C1=C2N(C(=O)C(=C3N(C4=CC=CC=C4S3)C)S2)CC=C)C5=CC=C(C=C5)Cl 1 5.068 4 2 -3.78451902880447 3843100 CC1=NNC(=O)N1C2=CC(=CC=C2)OC 1 0.975 3 2 0 -5.25286914974558 3843095 CC1=C(C(=CC=C1)NC(=O)C2CC3CCC2C3)C 1 3.724 1 1 2.31368915541532 3843037 CCC1=CC=C(C=C1)OCC(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 1 2.852 1 4 -16.3866774096259 3842920 CN(C)C(=O)NC1(CCCCC1)C#C 1 2.482 2 1 -3.6762269213269 3842853 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C=NNC3=NC4=CC=CC=C4N3 1 3.928 5 0 7.83300797778152 3842823 C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC4=CC=CC=C4 1 4.348 4 0 -8.22075980704885 3842774 CC1=CC=CC(=C1O)C(=O)NNC2=C(CCC2)C(=O)C(F)(F)F 1 2.721 2 3 -4.38669185456563 3842739 CN1C(=O)C=C(N1)CSC2=CC=C(C=C2)Cl 1 1.942 2 1 0 0.963432736078351 3842726 C1CCN(C1)C2=CC(=O)C(=CC2=O)N3CCCC3 1 1.151 2 2 0 -1.08359678733921 3842722 CC1=NC2=C(C=NN2C(=C1)NCCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4 1 4.123 4 2 -9.1853833103107 3842662 C1CC(C(=O)NC1)C(=O)NN=CC2=CC=C(C=C2)Cl 1 1.579 3 2 0 -14.9808605731889 3842659 CC1=CSC(=N1)NC(C(=O)OC)(C(F)(F)F)NC(=O)C 1 0.744 3 3 0 -9.87607384415283 3842656 CCOC(=O)CCCC(=O)N1CCOCCOCCOCC1 1 -0.119 1 6 0 -18.1603349910443 3842606 C1=CC=C(C=C1)CCC=NNC(=O)N 1 1.192 3 1 0 -5.55775837368004 3842595 CC(=NNC1=NC(=O)CC(S1)C(=O)NC)C2=CC=CS2 1 1.328 4 2 0 -13.2713423744848 3842547 CC1=CC=C(C=C1)C(C2=CC=C(C=C2)N3C=CN=C3)O 1 2.993 2 1 -0.606232716047243 3842543 CCOC(=O)NC(=O)C(=NNC1=CC(=CC(=C1)C)C)C(=O)C 1 2.734 3 4 0 -4.18096922713765 3842541 C1=C(C=NC(=C1Cl)C#CCO)C(F)(F)F 1 2.7 1 1 6.52976891037987 3842538 CN1CCN(CC1)C2CC(=O)N(C2=O)CCC3=CC=CC=C3 1 1.301 3 2 0 2.00397438483459 3842512 CC(C(=O)C1=CNC2=CC=CC=C21)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.63 3 3 -5.78352652062178 3842368 C1=CC=C(C=C1)C2=NC=C(S2)C(=O)CC=NOCC3=C(C=C(C=C3)F)Cl 1 4.634 2 2 5.28373749143761 3842365 COC1=C(C(=NC=N1)OC)S(=O)(=O)NC2=CC=C(C=C2)C(F)(F)F 1 2.526 3 4 0 2.35390979330794 3842359 CN1C=CC=C1C(=O)C(=O)NC2=CC=C(C=C2)Cl 1 2.755 2 2 -2.71720765809431 3842343 CCC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)OC 1 3.668 0 4 -4.8085856002964 3842286 CCSC1=NN=C(S1)NC(=O)NC(C)(C(F)(F)F)C(F)(F)F 1 3.101 4 1 -17.1060877650706 3842239 C#CCOC(=O)NC1=CN(C(=O)C=C1)CC2=C(C=CC=C2Cl)Cl 1 3.454 2 3 -8.32662888419529 3842161 CC(C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])(C(=O)OC)C(=O)OC 1 2.805 1 6 0 0.775116001249749 3842094 C1COCCN1C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 1.438 3 2 0 -3.91889831636475 3842006 CC1=CC=C(N1C(CC(=O)OC)C2=CC=C(C=C2)F)C 1 3.193 1 2 -5.40715336709288 3842000 CC1=CC(=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2Cl)C 1 2.107 1 3 -14.0003205075298 3841999 COC1=CC=C(C=C1)CN2C(=CC=C(C2=O)C(=O)N)C(F)(F)F 1 1.583 2 3 0 -2.66809392132222 3841962 CC(C)C(CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C)C2=CC=C(C=C2)OC 1 4.434 1 4 -9.28848735770077 3841961 CC1CC2C3=CC=CC(=C3C(=O)N2C4=C1C=CC=C4C)C(=O)O 1 3.501 1 3 -7.18843428130961 3841911 COC1=C(C=C(C=C1)Br)C=NNC(=O)C(C2=CC=NC=C2)N3CCOCC3 1 2.013 4 3 0 -5.7771468487831 3841907 CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CS2)C(=O)OCC=C 1 1.818 3 3 0 -39.0873895266939 3841833 CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC=CO4)OCC 1 2.249 3 6 0 -19.7190145524532 3841831 COCCN1C(C2=C(C1=O)OC3=CC=CC=C3C2=O)C4=CC(=CC=C4)OC 1 2.21 1 5 -7.87865766823547 3841782 CON=C1CSC2C3=CC=CC=C3C(=O)N2CC4=C1C=CS4 1 2.666 2 2 -10.7756953188269 3841778 CCON=C1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3 1 2.908 2 2 0.212187112895217 3841727 CCN1C(=NN=C1SCC2=CC=CC=C2)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC 1 3.913 4 3 0 -21.656672813373 3841658 CC1=CC=CC=C1OCCCCCN2C=CN=C2 1 3.14 2 1 4.03173430944638 3841655 CC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=NC=CS3 1 2.165 4 2 -22.2171494088517 3841625 CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)Cl 1 0.929 2 5 0 -27.611559906092 3841624 CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)Br 1 1.013 2 5 0 -29.0682196511934 3841623 CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)C 1 0.751 2 5 0 -29.4335585966788 3841622 CCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=C(C=C2)F)F 1 0.972 2 4 0 -22.7470539201479 3841620 CC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=C(N2C)SCC=C 1 2.274 4 2 -12.9492106058262 3841604 C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4S3 1 3.404 2 2 -6.45902908803401 3841549 CC1=NC=C(C(=N1)C2=CC=CC=C2)N=NC3=CC=C(C=C3)OC 1 4.306 4 1 10.8236674803274 3841543 C1CC12C3C=CC2C4C3C(=O)NN(C4=O)C5=CC=CC=C5 1 1.158 2 2 0 -3.75811464868729 3841540 CC1CCC(C2=C1C(C(C(N2)C3=CC=CC=C3)(C#N)C#N)(C#N)C#N)C(C)C 1 3.396 5 0 -1.0341038212909 3841395 CC(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CO3 1 2.924 1 4 -11.8966955629236 3841344 CC1=CC=C(C=C1)OC2=C(C=CC=N2)COC(=O)NC3=CC=CC=C3C 1 5.098 2 3 -4.74206986823954 3841341 CC1C(=O)N(C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)CC4=CC(=CC=C4)F 1 4.106 2 2 -5.13614353169089 3841340 CC1=NC2=CC=CC=C2C=C1OCC3=CC=CC=C3 1 3.865 1 1 1.40797165456177 3841326 CCOC1=CC=C(C=C1)OC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O 1 2.274 1 7 0 -15.7562084837371 3841301 CCOC(=O)C1=C(N=C(C(=C1)C#N)NCC=C)C2=CC=CC=C2 1 3.201 3 2 -6.78356729318832 3841300 CC1=CC=C(C=C1)NC(=O)C2=CN(C=N2)C3=CC=CC(=N3)C 1 2.87 4 1 -4.96888152246306 3841234 CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCC3CCC(CC3)C(=O)O 1 3.247 1 6 0 -20.0762090217175 3841208 CC(C)C1=CC=C(C=C1)C(=O)CC2(C3=CC=CC=C3N(C2=O)CN4CCOCC4)O 1 2.843 2 4 -8.95634824222136 3841196 CC1=CC=C(C=C1)SCC2=C3C(=NN2)OC(=C(C34C5=C(C=CC(=C5)F)NC4=O)C#N)N 1 3.414 5 2 0 -4.84901225206176 3841172 C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CC=C4 1 4.6 0 3 1.32240527282906 3841105 C=CCSC1=NN=C(O1)C2=CC3=C(S2)C4=CC=CC=C4CC3 1 5.193 2 1 -10.2380758847961 3841083 CC1=C(SN=N1)SC2=CC=CC=C2 1 2.9 2 0 -2.41624685339687 3841068 CCOC(=O)C1=CN=C2C(=C1OC3=CC=C(C=C3)OC)C=NN2C 1 2.476 3 4 0 -2.89247195020727 3841010 CC1=C(C=CC(=C1)OCC(=O)NN=C(C)CC(=O)NC2=CC3=C(C=C2)OCCO3)Cl 1 2.727 3 5 0 -9.56700010792247 3840968 COC(=O)C1=NNC2(C1C(=O)N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl 1 3.047 3 4 0 -3.45374618407724 3840964 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CN=CC=C3)CC4=CC=C(C=C4)F 1 2.061 7 2 0 -14.311672102959 3840963 C1=CC=C(C=C1)C(=O)NC(C2=NNC(=O)C3=CC=CC=C32)C(=O)NN=CC4=CC=CC5=CC=CC=C54 1 3.52 5 3 0 -16.6360735725252 3840867 COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SC)C#N)O 1 2.584 2 3 -24.2252082792466 3840885 CC1=C(C(=CC=C1)NC(=O)N2CCC3=CC=CC=C3C2)C 1 3.782 2 1 -7.62668493983817 3840851 C1=CC=C(C(=C1)C2=CC=C(O2)C=NNC3=NC4=CC=CC=C4N3)F 1 4.279 4 1 6.3741357143853 3840738 CC1=CC=C(O1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=CC=C4 1 2.751 8 3 0 -24.2351840966524 3840707 CC1=C(C(=NS1)SCC(=O)NN=C(COC2=CC=C(C=C2)F)N)C#N 1 1.936 5 2 0 -11.9731738732703 3840657 CCN(CC)CC1C(N(C1=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3 1 3.433 2 2 -1.44378826978373 3840632 C1=CC=C(C=C1)C(C#N)N(CCCCl)C(=O)C2=CC=CC=C2 1 3.421 2 1 -7.85367101475331 3840561 CCCSC1=NN=C(N1C)CNS(=O)(=O)C2=CC=C(C=C2)C 1 2.529 4 2 -11.7972627468524 3840560 CCN1C(=NNC1=S)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 3.459 4 2 -9.47666221487087 3840559 CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)C 1 1.048 2 4 0 -25.9283247698048 3840553 CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)Cl 1 1.226 2 4 0 -24.106326079218 3840514 CC(=NNC(=O)CNC(=O)C1=CC=NC=C1)C2=C(C=C(C=C2)OC)OC 1 0.54 4 4 0 -14.741178134841 3840509 CCN1C(=NNC1=S)C(C)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.362 4 2 -10.225525810111 3840508 CCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=C(C=C2)Cl)Cl 1 1.89 2 4 0 -22.5656903015039 3840507 CCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC=C2Cl)Cl 1 1.89 2 4 0 -25.3531623269778 3840506 CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)Cl)Cl 1 1.89 2 4 0 -24.325138624735 3840446 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 4.497 4 3 0 -8.18447745767805 3840352 C1=CC=C(C=C1)C(=O)CN2C=NC(=N2)N 1 0.826 4 1 0 -5.78483749699601 3840349 CCCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2N=CC5=CC=CO5)C 1 5.032 6 2 0 -5.53540149410615 3840304 CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)CC(=O)N3CCCC3 1 1.712 3 3 0 -4.18622511353308 3840287 CNC(=O)C1=CC=CC=C1C2=CN(C3=CC=CC=C3C2=O)C 1 2.253 2 2 -8.35131639017822 3840285 CC1(C2NC(=S)N(N2C(=S)N1)C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 5.108 4 1 -3.44610800172772 3840272 CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)NCC3CCCO3 1 2.672 2 3 -11.6037518894628 3840269 CNC(=S)N=CNOCC1=C(C=CC=C1Cl)Cl 1 3.187 3 1 -3.34857147263392 3840239 C1=CC(=CC(=C1)F)COC2=COC(=CC2=O)CO 1 0.904 0 4 0 0.663640577411355 3840199 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)Cl)N 1 3.523 3 2 -1.30182532370427 3840189 CN1C2=C(C(=O)N(C1=O)CC(=O)[O-])N3CCSC3=N2 1 -1.191 4 4 0 -11.5516218175516 3840152 CCSCCC1=NN=C(S1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.278 4 1 -8.70988532529135 3840043 CC(C(=O)O)SC(=S)N(C)CC1=CC=CS1 1 3.493 1 2 -7.90889989111975 3840005 COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3SC2=O 1 3.543 1 3 4.79083901196997e-002 3839933 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)COC4=CC=C(C=C4)F 1 3.019 9 3 0 -26.402579360616 3839930 CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4)S2)OC 1 5.55 3 4 0 -13.5487401257882 3839926 COC1=CC=CC=C1P(=O)(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.855 1 4 -6.83720263747986 3839890 CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C)O 1 2.303 5 4 0 -3.08785625825743 3839879 C1CC(=O)N(C1=O)CCSC(=S)N2CCSCC2 1 1.869 2 2 0 -11.6191777914181 3839820 CCOC(=O)C1CCCN(C1)C(=S)NC2=C(C=C(C=C2)C)C 1 4.831 2 2 -15.5086054713573 3839764 CCCCCC(=O)NNC1CC(=O)N(C1=O)C2=CC(=CC=C2)OCC 1 1.945 3 4 0 -13.0938973094637 3839761 CN1CC(C(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl 1 3.785 2 3 1.37941844083392 3839729 CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N 1 2.836 6 2 0 -1.32324565069624 3839615 CN(C)CC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl 1 4.134 3 0 3.50268068685546 3839471 C1=CC=NC(=C1)CNC(=O)C2=CC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.848 4 1 -4.17864410358503 3839446 COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCN5CCOCC5)OC 1 0.952 6 5 0 -29.5786398524582 3839392 C1CC(=O)C(C(=O)C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.272 1 5 0 -15.8780737650515 3839388 CCOC(=O)CCC(=O)N1CCOCCN(CCOCCOCC1)C(=O)CCC(=O)OCC 1 -0.757 2 9 0 -17.5559897617447 3839356 C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)Cl)C(=O)C3=CC=CS3 1 2.953 1 3 -11.8889635763797 3839337 CC1=C(C(=NS1)SCC2=CC(=CC=C2)Cl)C#N 1 4.195 2 0 -5.97723152956709 3839220 C1=CC=C(C(=C1)OCCCCN2C=CN=C2)Cl 1 2.862 2 1 3.43199017325081 3839210 COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=CS3)C4=CC5=C(C=CC(=C5)Br)OC4=O)OC 1 4.313 2 6 0 -5.72914333788625 3839180 CC(CCC1=C(C=C(C=C1)OC)OC)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 3.745 1 5 -14.984824765811 3839153 C1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C6=NC(=NN6C=N5)C7=CC=CO7 1 5.449 4 2 -3.60162144659677 3839115 COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.877 3 9 0 -19.9550321540608 3839091 CC(C)N(C(C)C)C(=NCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2 1 4.32 3 1 -8.15914054694981 3839063 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3CCC=CC3 1 2.191 8 2 0 -21.6400412211786 3839029 CC(C)CCN1C2=CC=CC=C2N=C1S(=O)(=O)O 1 3.006 2 3 -7.49252828305392 3838952 CC1CCC2=C(C1)C=C(S2)C3=NNC(=S)O3 1 4.131 2 1 -7.5724960551309 3838947 CC(=NNC(=O)C1=CC(=CC=C1)O)CC(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 2.344 3 5 0 -12.591590871136 3838917 COC1=CC(=CC2=C(N3C(=NC2=O)SC(=N3)CC(=O)N4CCCCC4)N)C=C(C1=O)OC 1 1.056 5 5 0 -13.4941908742622 3838897 C1COC2=CC3=NC(=C(C=C3C=C2O1)C=NNC4=CC=C(C=C4)C(=O)O)Cl 1 3.924 3 4 0 5.48130413592968e-002 3838867 C1=CC=C(C=C1)N2C(=O)C=C(NC2=O)C(=O)NC3=C(C=C(C=C3)F)F 1 2.196 3 3 -4.9696703216368 3838807 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCN4CCOCC4)S(=O)(=O)C5=CC=C(C=C5)Cl 1 1.83 5 4 0 -23.4156531712971 3838798 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=C(C(=CC=C3)[N+](=O)[O-])O)C4=C(NN(C4=O)C5=CC=CC=C5)C 1 3.026 5 5 0 -4.9725180852027 3838773 CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CN=CC=C3)C4=CC=CC=C4 1 1.68 10 2 0 -22.9353362026293 3838751 CCC(=O)CC(C1=CC=CC=C1)C2(C(=O)C3=CC=CC=C3C2=O)Cl 1 4.009 0 3 -3.68928913235211 3838740 C1CC2CCC1C3C2C(=O)N(C3=O)C4=CC=CC=C4 1 2.587 1 2 -0.736876500792759 3838712 CC1=CC=C(C=C1)C(O)P(=O)(C2=CC=C(C=C2)N(C)C)OC(C)C 1 3.844 1 3 -5.68375913945012 3838688 CC1=NC(=CC=C1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC 1 3.554 2 5 0 -20.7856932171746 3838677 CC1=NC(=C(N1)[N+](=O)[O-])SCC2=CC(=C(C=C2)O)[N+](=O)[O-] 1 2.313 4 5 0 -2.90430430660356 3838666 CC1=CC(=NN1C(C)SC2=CC=CC=C2)C 1 3.258 2 0 -1.44643941882191 3838522 CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NNC3=CC=C(C=C3)C(=O)O 1 4.624 3 2 4.44958591267193 3838461 CCCCC1=C(C2=C(C(=CC=C2)OC)N=C1C)SCC(=O)O 1 4.16 1 3 -8.61261546368016 3838453 CC1(CC2=C(C(=NC(=C2CO1)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5)C#N)C 1 3.963 4 2 -15.6886536753661 3838438 CC(C1=C(N(N=C1C2=CC=CC=C2)C)Cl)O 1 2.658 2 1 2.34875187862845 3838424 CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)NCC3CCC(CC3)C(=O)O 1 3.911 1 6 0 -19.7119167121371 3838416 CC(C)COP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC(=C(C(=C2)OC)OC)OC)O 1 3.774 1 6 0 -10.2814063718884 3838402 CC1=NC(=NC=C1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(C)C 1 3.286 3 2 -1.84032221421663 3838381 COC1=CC=C(C=C1)CN(C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC)N=O 1 2.337 3 5 0 -1.24848890886501 3838379 CC1=CC=C(N1C2=NC=C(C=C2)C#N)C 1 2.264 3 0 -4.39506784390707 3838365 CC(C)(C)NC1=C(N=CN1C)[N+](=O)[O-] 1 1.221 4 2 0 -7.01352122625705 3838289 C1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)NC2=CC=C(C=C2)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.616 2 3 -3.44235919299063 3838283 COC1=CC2=C(C=C1)C(=O)CC2NC(=O)C(F)(F)F 1 1.731 1 3 0 -7.48952355958728 3838282 CN1C(CC(O1)CN2C=C(C(=O)N(C2=O)C)C#N)C3=CC=C(C=C3)OC 1 0.327 4 4 0 -8.68229429733852 3838280 C1C2=CC=CC=C2N=C(S1)NCC3=CC=CC=N3 1 2.813 3 0 -5.97598049220953 3838279 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC3=NC=CC=N3 1 2.9 3 3 -6.05376037661924 3838273 C1=CC=C(C=C1)C2=C(SN=N2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl 1 4.877 2 2 -3.79467799819111 3838272 C1=CC=C2C(=C1)N=CC(=N2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.684 2 2 -2.44384273622154 3838252 CC1=NC2=C(S1)C=C(C=C2)OC3=CC=CC=C3 1 3.734 1 1 2.72362149291769 3838250 C1=COC(=C1)C(=O)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1 2.763 4 6 0 -0.474503710304016 3838223 CN1C=NC(=C1NCC2=CC=CC=C2)[N+](=O)[O-] 1 1.873 4 2 0 -3.80158585905422 3838191 CCCCN1C=NC2=C(C1=O)SC3=NC4=C(CSC(C4)(C)C)C=C23 1 3.834 3 1 -12.6023416608517 3838161 CC1=CC(=NN1C2=NC3=C(C4=C(S3)CCCC4)C(=N2)SCCN(C)C)C 1 4.89 5 0 -11.5892506883507 3838141 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)CN5C6=CC=CC=C6N=N5 1 5.814 5 2 0 -15.0879090351047 3838072 C1=CC(=C(C(=C1)Cl)Cl)NC(=O)CC2C(=O)N=C(S2)NN=CC3=CC=CO3 1 3.695 4 3 0 -10.1100528115796 3838067 CC1(C(N(C(=O)N1CC(=O)NCC(=O)OC)C2=CC=C(C=C2)Cl)N(C(=O)NC3=CC=C(C=C3)Cl)O)C 1 2.832 5 6 0 -17.6008856098851 3838040 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NN 1 0.397 5 4 0 -17.9490403308713 3837875 C1CCN(CC1)CC2=CSC(=S)N2C3=C(C=CC=C3F)F 1 4.729 2 0 -1.3127041275874 3837806 C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)NC5=CC=CC=C5 1 3.545 2 3 -8.29380450050735 3837661 C1=CC=C(C=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CC=C3 1 2.637 6 2 0 -1.76730220746792 3837555 CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C(=O)C4=CC=CC=C4)C5=CC=CC=C5 1 4.504 3 3 -6.29641736303809 3837504 CN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43 1 4.794 4 1 -2.28527975111684 3837489 CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(=O)O 1 0.861 6 5 0 -2.90426208095539 3837456 C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=CO4 1 1.518 4 5 0 -7.06267932172762 3837439 COC(=O)C=C1C(=O)N(C(=C(C#N)C(=O)NCC2=CC=CC=C2)S1)C3=CC=CC=C3 1 2.93 3 4 0 -10.6482326843434 3837385 CCCCOC1(C(=NNC(=S)N1)C2=CC=CC=C2)C3=CC=CC=C3 1 5.07 3 1 -5.88248124512762 3837381 CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)O)OC)C4=CC=CC=C4C=C2)N 1 3.837 1 5 -7.35450161161368 3837339 C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)O 1 3.204 1 3 -12.108134679323 3837306 C1COC2=C(O1)C=CC(=C2)NC(=O)N 1 0.526 2 3 0 -6.27392361254435 3837254 COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)N)Br 1 2.967 2 3 -1.39345979285025 3837215 C1=CC(=CC(=C1)N=C(NC#N)SCC2=CC=C(C=C2)C(=O)O)C(F)(F)F 1 4.5 3 2 -0.453421426107666 3837211 CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NC2=CC(=C(C=C2)OC)Cl 1 0.73 5 3 0 -12.5250063293736 3837201 C1CN2CC3=CC=CC=C3N=C2C1OC(=O)NC4=CC=C(C=C4)OC5=C(C(=C(C(=C5F)F)F)F)F 1 5.054 3 3 0.645641262867489 3837198 CC1=CC=C(C=C1)C=NNC2=NC(=NC(=C2)C)NCC3=CC=CC=C3 1 3.781 5 0 1.45171278918136 3837112 C1CS(=O)(=O)CCN1CC2=CC=CC=C2C(F)(F)F 1 2.262 1 2 -1.75361091241051 3837108 C1C=CCC(C1C(=O)NNC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)O 1 3.832 2 3 -1.402939865643 3837107 CCN=C(C1=CN=CC=C1)NC2=CC=C(C=C2)Cl 1 2.737 3 0 -1.51033108610317 3837106 CC(C(=O)O)N1C2=CC=CC=C2N=C1C(F)(F)F 1 2.866 2 2 -2.70667438174622 3837009 C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)Br)C(=O)N(C4=O)C6=CC=CC=C6O 1 4.095 1 3 -0.26535075246134 3836990 COC1=C(C=C(C=C1)C=NNC(=O)CNC(=O)C2COC3=CC=CC=C3O2)[N+](=O)[O-] 1 1.394 4 7 0 -12.734058204861 3836965 CCN1C(=NN=C1SC)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.268 4 2 -8.81345922176526 3836838 CC1(C(N(C(=S)S1)NC(=O)NC2=CC=CC3=CC=CC=C32)N(C(=O)NC4=CC=CC=C4)O)C 1 4.831 5 3 0 -6.82829286065124 3836807 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C4=CC=C(C=C4)N 1 4.124 2 0 6.92914836403845 3836792 CC(=NNC(=O)C1=NC=CN=C1)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.685 5 3 0 -12.878485367011 3836779 CCCC1C(=O)N(C(=NN=CC2=CC=C(C=C2)C)S1)CC3=CC=C(C=C3)OC 1 5.674 3 2 -5.7294921586072 3836617 C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Cl)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.558 2 5 0 -12.3559910886471 3836612 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC(=O)NC3=NN=C(S3)C(F)(F)F 1 3.318 4 3 0 -15.3283728796634 3836550 CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C 1 2.572 5 2 0 -1.27196240094664 3836549 CC(=O)NNC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3 1 2.975 3 2 -1.01861518291451 3836532 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CN=CC=C3)CC4=CC=CC=C4 1 1.856 7 2 0 -15.9357582597286 3836519 CCCCNC(=O)N1CCN(CC1)C(=O)C2CCCO2 1 0.454 3 3 0 -23.7588227212076 3836516 COC(C1=CC=CC=C1)C(=NO)C2=CC=C(C=C2)Cl 1 3.756 1 2 -6.41365190958602 3836492 CC1=CC(=NC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 2.208 3 4 0 -5.85715275250132 3836485 C1=CC(=C(C=C1F)CNC(=O)CN2C=NC=N2)F 1 0.85 4 1 0 -18.7843522329891 3836484 CC1=NOC(=C1Cl)N(S(=O)(=O)C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)OC 1 3.167 2 7 0 -3.34392752182792 3836476 CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCC3CCCO3 1 3.586 2 3 -7.11934907575662 3836421 C1=CC=C2C(=C1)N=CC(=N2)OCC(=O)O 1 1.298 2 3 0 -3.63515199265842 3836427 C1=CC=C(C=C1)NC(=O)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.444 4 3 0 -8.13258566776207 3836333 CC1(C(N(C(=S)S1)N=CC2=CC=CC=C2OC)N(C(=O)NC)O)C 1 3.233 4 3 0 -5.89910455362544 3836253 CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N(CC)CC 1 2.018 3 3 -6.27153361757544 3836227 CC(=NNC(=O)CNC(=O)C1COC2=CC=CC=C2O1)C3=CC=CO3 1 0.891 3 5 0 -8.15660276928802 3836202 COC1=C(C=C(C=C1)CN2C(=O)CS(=O)CC2=O)OC 1 -3.1e-002 1 5 0 -6.76055962214941 3836199 C1=CN(C=C1)C2=C(SC=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.068 3 3 -9.05104040549745 3836135 CC1=CC=C(C=C1)NCN2C(=O)C3C4CCC(C4)C3C2=O 1 2.48 2 2 -7.91246131968607 3836113 C1=CC2=NC(=C(N2C=C1)Br)CSC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-] 1 4.413 4 2 -5.33483394510049 3836108 C1CC2CC1C3C2C(=O)N(C3=O)CNC4=CC=C(C=C4)F 1 2.2 2 2 -7.20058429422082 3836106 CCCCCC(=O)OC1=CC=CC(=C1)N2C(=O)C3CCCCC3C2=O 1 4.259 1 4 -11.9381613201875 3836104 CC(=O)NC1=CC=C(C=C1)NCN2C(=O)C3C4CCC(C4)C3C2=O 1 1.115 3 3 0 -12.4880582486414 3835976 CC1=NN(C(=O)N1C2=CC(=CC=C2)OC)C 1 1.181 3 2 0 -3.61263601074206 3835905 CCC(C(=O)C1=CC=CC=C1)OC(=O)CNS(=O)(=O)C2=CC=CC=C2 1 2.712 1 5 -12.168277712692 3835866 C1=CC=C2C(=C1)C=CC=C2N=C(N)N=C(N)N 1 0.891 5 0 0 4.14652263191095 3835861 CC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CN=CC=C3 1 2.49 4 0 -5.53217284938939 3835800 COC(=O)C(CC=C)(C1=CC=CC=C1[N+](=O)[O-])C(=O)OC 1 2.384 1 6 0 -9.98441575052517 3835799 C=CCC(=O)OCCCCCCOC1=CC=C(C=C1)C(=O)O 1 3.57 0 5 -8.10618255311671 3835788 C1C=NN(C1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)Cl 1 3.236 3 1 0.377935461620619 3835787 CN(C)C(=O)C1=NOC2=C1C=CC(=C2)[N+](=O)[O-] 1 1.22 3 4 0 -6.60397416129612 3835786 CC1=NC=CN1CC2=CN=C(C=C2)Cl 1 1.49 3 0 0 -1.04395864192497 3835785 CC(C)COP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CN=CC=C2)O 1 2.673 2 3 -10.7113172955122 3835687 CCCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC(=C(C(=C2)OC)OC)OC)O 1 3.911 1 6 0 -10.3913133153053 3835634 CCCCC(CC)C1OCC(O1)CN2CCCCC2 1 3.909 1 2 -3.39706511126116 3835571 COC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)C5CCCCC5 1 3 5 3 0 -23.8235334945805 3835458 CC1=CC=C(C=C1)C(=O)C(N2C=NC=N2)SC(C)(C)C 1 3.501 3 1 -5.78513380262795 3835431 CN(C)S(=O)(=O)OC1=C(C=C(C=C1C(=O)OC)Cl)Cl 1 2.163 1 5 -4.98919488138614 3835430 CN1CC(C2(C13C4=CC=CC=C4NC3=O)COC5=CC=CC=C5C2=O)C6=CC=C(C=C6)C#N 1 3.261 3 3 -5.47502627953756 3835429 C1=CC=C2C(=C1)N=C(C(=N2)NN=CC3=CC=C(C=C3)Cl)C(F)(F)F 1 4.85 4 0 5.04479776353843 3835354 CN(C)CCCNS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.497 3 3 2.74249640412087 3835306 CC(C1CC2CCC1C2)NS(=O)(=O)C3=CC=C(C=C3)N 1 2.236 2 2 -6.47329685970784 3835199 C=CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)SC=C2 1 4.383 2 1 -23.0134528874382 3835198 COC1=CC=C(C=C1)C2=C(NN=C2)C3=CC=C(C=C3)OC 1 3.569 2 2 0.408142381739128 3835107 CC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3S(=O)(=O)C)C4=CC=CS4 1 4.042 3 2 -0.930064056180483 3835082 CCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)N(C)C)NC3=CC=CC=C3 1 5.663 3 2 -9.0256759670468 3835043 CCN(CC)C(=O)C1=CC=CC2=NC3=CC=CC=C3N=C21 1 3.171 3 1 -6.73315056821176 3835036 CC(=NNS(=O)(=O)C1=CC=C(C=C1)Br)C2=CC3=C(C=C2)OCO3 1 2.883 2 4 -6.23027087934589 3835018 CC(C)(C)C1=CC(=CC=C1)OC2=NNN=N2 1 3.16 4 1 1.93977672783525 3834807 C1CC2=CC(=O)N(N=C2C3=CC=CC=C31)CC4=C(C=C(C=C4)Cl)Cl 1 5.126 2 1 1.95486737762995 3834805 CC1=CC=CC=C1NC(=O)OCC2=C(N=CC=C2)SC3=CC=C(C=C3)Cl 1 5.834 2 2 -4.23055096029312 3834802 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCN(CC4)C 1 2.164 3 4 0 1.0480172135355 3834763 CCCOC1=CC=CC(=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OC)C3CCS(=O)(=O)C3 1 3.158 1 6 0 -17.0474062692763 3834605 CN1C2CCC1C(C(C2)O)COC(=O)C3=CC=CC=C3 1 1.769 1 3 0 -1.60968579121881 3834521 CCC(=O)NC1=CC=CC=C1NC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-] 1 2.819 5 3 0 -7.74274564596183 3834518 C1C(N(N=C1C2=CC=CS2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.135 2 0 -1.7879784660264 3834440 CCNC(=O)C1CC(=O)OC12CCCCC2 1 1.237 1 3 0 -8.28395390747889 3834358 COC1=CC=CC=C1NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3 1 1.796 6 4 0 -1.13056452082932 3834220 C1CCC2=C(C1)C=CC(=C2)OCC(=O)O 1 2.808 0 3 -7.48911716930825 3834158 CCN1C=CC(=O)C2=CC3=C(C=C21)OCO3 1 1.683 1 3 0 -1.86239621163433 3834052 CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O 1 4.691 2 6 0 2.68185551558466 3834013 C1=CC=C(C(=C1)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 3.781 2 2 -4.06703316987391e-002 3833990 CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC(=CC=C4)OC)CCC(=O)O 1 4.232 0 6 -3.8752287139725 3833967 CCOC(=O)C1=C(C2=CC3=C(CC(OC3)C(C)C)N=C2S1)N 1 2.73 2 3 -12.1833058008007 3833892 CNC(=O)OC1=CC2=C(C=C1)OCC3=CC=CC=C3C2=O 1 2.734 1 4 -3.50072066749279 3833886 CC1=CC2=C(C=C1)OCC(N2C(=O)C3=CC(=CC=C3)OC)C(C)(C)C 1 4.586 1 3 -6.15159083813084 3833882 CCOC(=O)C1=CN=C(NC1=O)N2C(=O)C(=C(N2)C)CC3=CC=CC=C3 1 1.194 4 4 0 -13.1320234030988 3833880 CCOC(=O)C1=CN=C(N=C1NCCOC)SC 1 1.062 3 3 0 -8.09938832365151 3833874 CCC1=CC(=S)N2C3=CC=CC=C3NC2=C1C#N 1 3.956 3 0 -5.54992006072639 3833872 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)O 1 0.739 2 4 0 -7.17410173680432 3833828 CCOC(=O)C(=CNC1=C(C=C(C=C1)C)C)C(=O)OCC 1 2.979 1 4 -2.75464585435038 3833807 CC1=C(C=C2C(=O)C3=C(C=CC(=C3)F)OC2=N1)C(=O)NC(C)(C)C 1 2.98 2 3 -6.88951476520521 3833793 CC1=NC2=CC=CC=C2C=C1OCC3=CC(=CC=C3)OC 1 3.849 1 2 1.77104717462188 3833776 CC(CCC1=CC(=C(C=C1OC)OC)OC)NC(=O)CC2=CC=CC=C2 1 3.762 1 4 -14.0178855495695 3833696 CC1CN(CC(O1)C)C2=NC(=NC(=C2)CSC3=CC=C(C=C3)Cl)C 1 3.535 3 1 -2.58814313105082 3833575 CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3CCCC=C3 1 2.885 4 1 -3.83687214747063 3833553 CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N 1 1.78 2 5 0 -13.7308474663664 3833549 CN1C(=C(C(=N1)C(F)(F)F)C#N)N2CCN(CC2)C3=CC=CC=N3 1 3.034 6 0 0.296818902583349 3833515 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC(=CC=C5)OCC=C 1 4.296 2 6 0 -20.4301370691429 3833477 CN(C)C1=CC=C(C=C1)CNCCC(C2=CC=C(C=C2)OC)C3=CC=CC=C3OC 1 5.142 2 2 -6.11479837670807 3833466 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)C(=O)OC 1 3.551 2 7 0 -17.7275858998661 3833340 C1=CC=C(C=C1)C2C(=O)C3=CC(=C(C=C3S2(=O)=O)O)O 1 2.016 0 5 1.79316578683082 3833299 CC1=CC2=C(C=C1)OC3=CC=CC=C3C2NC(=O)OC 1 3.429 1 3 -5.5140607514052 3833263 CCC12C(C(C(=N)O1)(C(C(O2)C3=CC=CC=C3)(C#N)C#N)C#N)C 1 2.033 4 2 -3.79157619567644 3833243 CC1=C(C=C(C=C1)Cl)NC(=O)CC(=NNC(=O)C(=O)N2CCCC2)C 1 1.462 4 3 0 -11.2232030834249 3833212 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.914 2 4 0 -4.96406206378293 3833140 CC(C1=NNC(=S)N1CC2=CC=CC=C2)N(C)C 1 2.511 4 0 -3.2658842213936 3833082 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=C(CCl)CCl 1 3.57 2 2 -4.12455346095092 3833074 CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O)OC 1 3.758 1 6 0 -9.23013340305625 3833044 CC1=CC=C(C=C1)C(CCN(CC2=CC=CC=C2)C(=O)C3=CC=CO3)C4=CC=CO4 1 5.538 1 3 -9.80715804000463 3833042 COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C4CCCCC4)F 1 3.17 5 3 0 -12.48507280501 3833011 CC1(CC(CCO1)N(CC2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F)C 1 3.662 1 2 -5.11936602102532 3833010 CC1=CC=CC=C1N2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O 1 4.069 2 2 -5.40334400966838 3833004 CC1=C[N+](=CC=C1)C2=C(SC(=N2)[O-])C=NNC3=CC=C(C=C3)[N+](=O)[O-] 1 3.893 5 3 0 -6.97064563949009 3832978 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)SC(F)F)N 1 2.934 2 2 -1.94582107076544 3832966 CC1=CC(=NN1C2CCCCC2OC(=O)C3=CC=CC=C3F)C 1 4.048 2 2 -9.12596336732355 3832876 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)C=NNC4=CC=C(C=C4)C(=O)O 1 5.367 3 2 -0.499276669074478 3832858 C1=CC=C(C(=C1)NC(=O)CCC(=O)NNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Cl 1 1.674 5 5 0 -11.9612007793756 3832832 C1CCC2C(C1)C2C(=O)NNC(=O)C3=COC(=O)C(=C3)Br 1 0.915 2 4 0 -5.78923847348511 3832830 C1=CC=NC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)O 1 1.094 4 3 0 -9.10941987507874 3832753 COC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NC3CCCCC3)[N+](=O)[O-])N 1 2.889 6 3 0 -3.66479031187914 3832649 CCN(CC)C1=CC=C(C=C1)C(=O)C2=CN=C(S2)N=CN(C)C 1 2.244 4 1 -4.51672955364854 3832617 CONC=NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.518 3 6 0 -8.95080284344874 3832575 CC1CN(CC(O1)C)C2=NC=NC3=C2NC4=C3C=C(C=C4)OC 1 2.48 4 2 2.074198461198 3832545 CCNC(=O)CC1C(=O)N(C(=S)N1NC(=O)C2=CC=C(C=C2)Cl)CC 1 1.912 4 3 0 -16.3240122506828 3832544 CC(=O)NC1=C(N=C(S1)NN=CC2=CC=CC=C2)C3=CC=CS3 1 2.953 4 1 -4.79067794512975 3832533 CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(O2)C3=CC=C(C=C3)Cl)C 1 4.464 2 3 -20.2639038336178 3832522 CC1=CC2=C(C=C1)NC(=O)C3=C(O2)C=CC(=C3)NC(=O)CCCl 1 2.732 2 3 -13.351845452697 3832516 C1CC1C2=NN(C=C2)CC3=C(C=CC=C3Cl)Cl 1 4.432 2 0 -6.97302380814653 3832481 CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=NC=CN=C3 1 2.986 2 5 0 -15.9674922219332 3832458 CC1=C(C(=CC=C1)C)NC(=O)N2C(CSC2C(=O)OC)C(=O)OC 1 2.525 2 5 0 -9.58381546484939 3832457 CC1=C(C=CC(=C1)N2C=NN=N2)C(C)C 1 2.397 4 0 -10.1122904451423 3832316 CC1=CC=C(S1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C4=CC=CC=C4 1 2.929 9 2 0 -21.0536803627096 3832293 C1=CSC(=C1)C=C2C(=O)N3C(=C(C(C(=C3S2)C#N)C4=CC=CS4)C#N)N 1 2.969 4 1 -11.9679961678567 3832291 CCOC(=O)C(C(F)(F)F)(NCC1=CC=C(C=C1)OC)NC(=O)C 1 1.998 2 4 0 -9.04576867636478 3832279 COC1=CC(=CC(=C1)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4)OC 1 3.368 5 3 0 -15.8685166696367 3832255 CC1=C(C(=NS1)SCC2=C(C=CC=C2Cl)F)C#N 1 4.401 2 0 -9.69400088606312 3832072 CC1=CC(=C2C(=C1)C(=NC(=N2)NC(=NC(=O)C3=CC=CC=C3)N)C)C 1 3.783 5 1 -6.11512719991042 3831995 C1=CC=C(C=C1)C(=NNC(=O)CNC(=O)C2=CC=C(C=C2)F)CCC(=O)O 1 1.774 3 4 0 -15.8009839920829 3831985 CCN(CC)CCNC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)N5CCOCC5 1 4.203 6 1 0 -9.97799391259536 3831965 CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-] 1 4.545 3 3 -7.65874433020464 3831918 COC1=CC=C(C=C1)C(=O)ON=C2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.189 3 5 0 2.44453146351847 3831886 C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)F 1 5.428 2 1 1.08247999693132 3831849 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C 1 3.394 1 3 -12.2461203226556 3831815 CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)NC3=CC=CC=C3F)[N+](=O)[O-])N 1 3.035 6 2 0 1.87042561307767 3831781 CCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)C)C3=CC=CO3 1 3.193 2 2 -11.726711610537 3831780 COC1=CC=CC(=C1)N2C(=O)C3C(C2=O)C3(C4=CC=CC=C4)C5=CC=CC=C5 1 3.593 1 3 1.59208983708865 3831696 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3C(=O)O 1 3.532 2 4 -7.17340715816048 3831651 CC(=NNC(=O)CN1CCN(CC1)CC2=CC=CC=C2Cl)C3=CC=CS3 1 3.164 4 1 -6.43992665005181 3831609 CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2 1 3.686 1 8 0 -20.9421495326707 3831575 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCC(=O)O 1 2.93 2 3 -15.2485884263729 3831515 CC1=CC=C(C=C1)C2(CCOC(C2)C(C)C)CCNS(=O)(=O)C3=CC=C(C=C3)C 1 4.98 1 3 -11.9734393804707 3831485 COC1=CC=C(C=C1)N2C(=O)CC2(C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4 1 4.053 2 3 -4.76194810159364 3831413 CC1=NC(=NN1C2=CC(=C(C=C2Cl)Cl)OC(C)C)C(=O)NC3=C(C(=CC=C3)Cl)Cl 1 5.887 4 2 -5.00135023401962 3831278 CC1C=C(CC2C1C(=O)N(C2=O)O)C 1 0.939 1 3 0 -2.46942829322472 3831208 CC1=CC=CC=C1C2=C(N(N=C2)C3=CC(=CC=C3)[N+](=O)[O-])N 1 3.333 4 2 -1.53591528702201 3831189 CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2Cl)Cl)OCC3=CC(=CC=C3)F 1 6.202 1 2 -3.63309512148273 3831141 C1CC2=CC(=O)N(N=C2C3=CC=CC=C31)CC4=CC=C(C=C4)F 1 4.003 2 1 0.300372141356929 3831140 CC(=O)ON=CC1=C(N(C2=CC=CC=C21)C)N3CCOCC3 1 1.953 3 3 0 -2.19553453918579 3831035 CC1CN(C2=NC3=C(N2C1)C(=O)NC(=O)N3C)CC4=CC=CC=C4 1 1.691 5 2 0 -5.84671580243862 3830898 CN(C)C1=CC=C(C=C1)CCN2CCOCC2 1 2.074 2 1 -0.847750920002868 3830890 C1=CC(=CC(=C1)C(F)(F)F)CN2C(=O)C(=O)N(C2=O)CC(=O)N 1 0.709 3 4 0 -3.45233596377882 3830863 C1=COC(=C1)C(=O)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.821 4 6 0 -5.26598507522199 3830750 CC1=C(C=CC(=C1)C2(C3=CC=CC=C3NC2=O)O)F 1 2.405 1 2 -3.14220757100494 3830713 C1=CC=C2C(=C1)C=CC(=O)N2CC3=CC(=CC=C3)F 1 3.247 1 1 5.02460461019522 3830712 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(=O)N(C)C 1 2.961 2 2 -2.93594756113817 3830679 CN(C)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2 1 1.871 7 2 0 0.445019235171445 3830660 CC(C1=CC2=C(O1)C(=CC=C2)OC)OC(=O)NC3=CC=CC=C3 1 4.026 1 4 -0.338813104347014 3830622 COC1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C5=NC(=NN5C=N4)C6=CC=CC=N6 1 4.164 5 3 0 -2.11111454595322 3830621 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CCSC4=NC5=CC=CC=C5O4 1 3.615 6 3 0 -12.6755285826392 3830600 CC1=CC=CC=C1OCC(CN2C3=C(N=C2NCCCOC)N(C(=O)NC3=O)C)O 1 1.111 5 5 0 -9.56766850841963 3830565 CC1=C(C(=NN1C)C)C(=O)NNC(=O)C2=CC=CS2 1 0.903 4 2 0 -7.38639760323789 3830563 C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)CC(=O)O 1 3.391 0 2 -5.80084535995989 3830553 CN(CC(=O)O)C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] 1 2.31 2 4 -1.94226529441461 3830552 CC1=C(C(=O)N=C(N1)SC)CCOC(=O)C2=CC=CC=C2 1 2.688 2 3 -12.5075375992262 3830492 CC1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC(=C(C=C3)C)C)N)[N+](=O)[O-] 1 4.014 6 2 0 -1.07311131407718 3830457 CC1=CC(=CC=C1)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2 1 4.813 2 1 -14.9733348340312 3830432 CC(CCC1=CC=C(C=C1)OC)NCC2=CC(=CC=C2)Br 1 4.838 1 1 2.30375829163832 3830385 CC1=CC(=CC=C1)CSC2=NC=C(N2C)CO 1 2.549 2 1 -5.9291486862021 3830384 CC1C(=O)N(C2=CC=CC=C2N1C(=O)C3=C(C=CC=C3F)F)CC4=CC=C(C=C4)OC 1 4.295 2 3 -6.5148281483108 3830382 CC(C(=O)NCC1CCC(CC1)C(=O)O)OC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3 1 3.851 1 6 0 -20.6117462390969 3830332 C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=C(C=C2)OCC(=O)N 1 1.162 2 4 0 -8.43836395991115 3830312 CC1(CN2C(=O)C3=CC=CC=C3C2(S1)C)C 1 2.151 1 1 -4.39473444333031 3830309 C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC=CS3)O)C(=O)C4=CC5=CC=CC=C5O4 1 3.554 2 4 -12.0745254450486 3830300 CN(C)S(=O)(=O)OC1=C(SC=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.046 2 4 -7.78955765331421 3830299 C1COCCN1C(=O)C2=CN(C(=O)C=C2)CC3=CC(=C(C=C3)Cl)Cl 1 1.856 2 3 0 -5.13029571772563 3830279 CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])F 1 1.099 3 4 0 -11.338311273836 3830225 COC1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 2.887 2 5 0 -3.67494014859398 3830181 COC1=CC(=CC(=C1OC)OC)C(=O)N(CC2=CC(=CC=C2)Cl)C3CCS(=O)(=O)C3 1 2.95 1 6 0 -12.3388014299672 3830118 CCC(C(=O)O)NC(=O)CCC1=C(C2=C(C=C3C(=C2)C4=C(O3)CCCC4)OC1=O)C 1 4.181 1 6 0 -25.604615703965 3830087 CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3CCCO3)C4=CC=CC=C4 1 4.016 2 2 -9.020339276919 3830004 CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-] 1 3.876 4 2 0.400709257051462 3829981 CC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4CCC=CC4 1 3.212 8 2 0 -22.7626407515314 3829966 CN1C(=O)CC(C1=O)NNC(=O)C2=CC=CC=C2 1 -0.335 3 3 0 -8.47561768125294 3829864 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(O3)C4=CC=C(C=C4)OC 1 2.968 4 3 0 -3.56711776500844 3829837 CNC(=O)C1=CC=CN(C1=O)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F 1 2.518 2 2 -8.17878534413611 3829836 COC1=CC=CC(=C1)C(=O)NNC(=O)C2=C(C=CS2)N3C=CC=C3 1 2.684 3 3 -8.43367378328226 3829780 CCOC(=O)CN1CCC(CC1)C2=CC=CC=C2 1 2.577 1 2 -1.14572403705357 3829743 CC(C(=O)NCC1=CC=NC=C1)OC2=C(C=C(C=C2)Cl)Cl 1 3.119 2 2 -7.78661159358808 3829738 COC1=CC=C(C=C1)N(CN2C(=O)C3CC=CCC3C2=O)C(=O)C4=CC=CO4 1 2.435 2 5 0 -7.26755362093964 3829688 C1=CC=C(C(=C1)C(=O)NCCCCCCNC(=O)C2=CC=CC=C2C(=O)O)C(=O)O 1 2.709 2 6 0 -11.2541471790879 3829473 CCC(C(=O)NNC(=O)C1=CC=NC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 0.968 5 5 0 -16.3363423115289 3829436 CC1=C(C(=O)N2C(=N1)C(=CN2)C#N)CCO 1 -1.169 4 2 0 -8.78921019805097 3829432 CCOC(=O)CC(=O)CSC1=NC2=C(CCC2)C=C1C#N 1 2.67 2 3 -17.8777074399093 3829419 C1=CC=C(C=C1)NC2=CC(N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)O 1 3.983 2 2 -1.50465346860587 3829403 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC(C)C)N 1 4.968 4 2 -12.4495258886956 3829380 CC1(CC2CC(C1)(CN2CC3=CC(=CC=C3)[N+](=O)[O-])C)C 1 3.839 2 2 -10.9823212742242 3829378 C1=CC=C(C=C1)CN=C(C2=CC(=CC=C2)[N+](=O)[O-])NO 1 2.583 3 3 -4.37959254303082 3829374 C1=CC=C(C=C1)C(=O)NC(C2=NNC(=O)C3=CC=CC=C32)C(=O)NN=CC4=CC=CC=N4 1 1.889 6 3 0 -18.0749391890714 3829344 CC1=C(N(C=CC1=O)CCC2=CNC3=C2C=C(C=C3)OC)C 1 3.027 2 2 -1.75320704611036 3829343 CC1=NN2C(=CC=NC2=C1)C3=C(C=C(C=C3)Cl)Cl 1 3.661 3 0 1.10145394124171 3829291 CC1=CC(=NN1C2CC(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C 1 2.932 3 2 -4.54858990763143 3829283 CC1=NC2=C(C=NN2C(=C1)NC3=CC=C(C=C3)NC(=O)C)C4=CC=CC=C4 1 3.113 5 1 -9.30036876453775 3829272 C1CCC(C(C1)CC2=CC=CO2)NC(=O)NC3=CC=C(C=C3)Cl 1 4.25 2 2 -1.8500467485938 3829226 CC(=NNC(=O)CNC(=O)COC1=CC=CC=C1)CC2=CC=CC=C2 1 1.584 3 3 0 -14.3872251318991 3829221 CC1=NC(=C2C3=C(COC(C3)(C)C)SC2=N1)NN 1 1.421 4 1 0 -10.7280643556453 3829161 C1CC(C(=O)NC1)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 0.809 4 4 0 -18.8972570511329 3829140 C1=C(C=NC(=C1Cl)C(=NOC(=O)CCCC(=O)O)N)C(F)(F)F 1 1.908 3 4 0 -4.94031267367011 3829124 CC(C[N+](C)(C)C)OC(=O)C1(CCCC1)C2=CC=CC=C2 1 2.301 1 2 -6.86320108507066 3829113 CC1=CC(=NC(=N1)N2CCOCC2)NN=CC3=CC(=C(C=C3)OC)OC 1 1.572 5 3 0 -3.74552620728429 3829104 CC(=O)C(CC1=CC=CC=C1)NC(=O)CCl 1 1.528 1 2 0 -6.97239019681146 3829103 CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)O 1 1.817 1 3 0 -18.7272168755509 3829096 COC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2)[N+](=O)[O-] 1 1.343 4 5 0 -17.6945913919614 3829092 CN1C=CC=C1C=NNC(=S)N 1 1.39 4 0 0 -6.62274414925442 3829091 COC(=O)C(CCSC)NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)Cl 1 0.983 2 5 0 -20.8753996409639 3829072 C1=CN(C(=O)C(=C1)C(=O)N)CC2=CC=C(C=C2)C(F)(F)F 1 1.37 2 2 0 -1.29284711708545 3829008 COC(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3 1 3.336 1 4 -7.78221306382525 3829005 CN1C2=CC=CC=C2C(=O)C(=C1O)C3=CC(=O)NN3 1 0.601 3 3 0 -0.7072438065036 3828962 CC1=C(C=C(C=C1)NC(CC(=O)C2=CC=CC=C2)C(=O)O)Cl 1 3.91 1 3 -8.76311694789435 3828937 CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CS3 1 2.598 2 1 -9.15194677603902 3828926 CC1=CC(=NN1C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C 1 1.084 4 4 0 -11.3007343029314 3828802 CC1=NC2=C(C(=NN2C(=C1)C(F)(F)F)C3=C(N(N=C3)C)C(F)(F)F)Br 1 4.335 5 0 -5.49511404278895 3828798 CNC(=O)C1=NN(C=CC1=O)C2=CC=C(C=C2)Cl 1 1.69 3 2 0 -4.89326201968979 3828707 CC(=O)NC1=CC=CN(C1=O)CC2=C(C=CC=C2Cl)Cl 1 1.619 2 2 0 -9.24469108791408 3828603 CSC(C1CCCC1)N2C3=CC=CC=C3N=N2 1 4.057 3 0 -3.06777522009474 3828582 CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CS3)CC4=CC=CC=C4 1 5.458 3 3 -14.3641706378713 3828526 CC(C)(C)C1=CC=CC(=C1O)CN2C3=CC=CC=C3N=N2 1 4.382 3 1 -3.29729779750991 3828498 CC1=NC(=CC=C1)NC(C(=O)OC)(C(F)(F)F)NC(=O)C 1 1.608 3 3 0 -8.89890810124872 3828473 C=CCC(C(=O)NCC1=CC=CC=C1)N2CCOCC2 1 1.724 2 2 0 -13.9488553420999 3828453 CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=S)N)N 1 2.787 2 2 -18.2603197198882 3828452 CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C1=CC=CC2=CC=CC=C21)OCC 1 3.755 1 4 -9.74505073668892 3828433 C1CN(CCC12OCCO2)S(=O)(=O)C3=CC(=C(C=C3)F)F 1 1.422 1 4 0 -15.5998263184598 3828284 CC(C)CC1=NC2=C(C3=C(S2)COC(C3)C(C)C)C(=O)N1N 1 2.676 3 2 -12.1007197431923 3828205 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5 1 1.172 3 4 0 -4.56161128844209 3828181 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C5CS(=O)(=O)CC5SC4=NC(=O)CCC(=O)O 1 4.035 3 5 0 -6.1009267725895 3828070 CC(=NNC(=S)NCC1=CC=C(C=C1)OC)C2=CC=CC=C2 1 3.779 3 1 -9.63611631014818 3827990 CC(=O)NC1=CC=CC=C1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3OC 1 4.081 1 3 -10.1342248966994 3827905 C1=CC(=CC=C1CON=CCC(=O)NC2=CC=C(C=C2)Br)[N+](=O)[O-] 1 3.115 3 4 0 -5.35216858498378 3827934 CC1=C(C(=CC=C1)C)N2C(=NN(C2=O)CC3CC3)C 1 2.99 3 1 -5.06082760395842 3827933 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3 1 4.74 1 1 -6.75974976815669 3827879 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C3=NN=C(N3CC=C)SCC4=CC=C(C=C4)F 1 5.982 6 0 -11.3500174327081 3827816 CC1=CC=CC=C1N(C(C#N)C2=CC=C(C=C2)OC)C(=O)CCCl 1 3.856 2 2 -8.69256306050389 3827811 COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C5=NC(=NN5C=N4)C6=CC=NC=C6)OC 1 3.719 5 4 0 -7.40979276102652 3827774 CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.423 3 4 0 -10.6753512985895 3827772 C1CCN(C1)C(=O)C23CC4CC(C2)CC(C4)(C3)Cl 1 2.584 1 1 -1.2418278618987 3827724 CC(=NNC(=O)CNC(=O)C1=CC(=CC=C1)Cl)CC2=CC=CC=C2 1 2.413 3 2 -11.5153110444856 3827697 CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)C1)C 1 5.065 4 4 0 -28.5990775944695 3827607 C1=CC=C(C=C1)CN2C(=O)C(SC2=O)CC(=O)NC3=NC=CS3 1 1.851 3 3 0 -9.53237102132267 3827619 CC(C(=O)NC1=NCCS1)NC(=O)C2=CC=C(C=C2)F 1 1.852 3 2 0 -17.1083034463402 3827525 C1COCCN1CC2=CSC(=S)N2C3=C(C=CC=C3F)F 1 3.5 2 1 -3.71131033849949 3827524 C1C(C1C(=O)O)C(=O)NC2=C(C=CC(=C2)F)F 1 1.303 1 3 0 -2.05489129528717 3827470 CC(C)COP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=C(C=C(C=C2)OC)OC)O 1 3.79 1 5 -7.32221056887558 3827467 CC1=C(C=C(C=C1)C2=CC=C(O2)C3NC4=C(C5=C(S4)CN(CC5)C)C(=O)N3)Cl 1 4.822 3 2 -2.11037365934812 3827460 CCC1=CC=C(C=C1)C(=O)CCC2CCCCC2=O 1 4.128 0 2 -6.07765129104855 3827455 C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-])[N+](=O)[O-] 1 4.185 5 6 0 -15.9906164166499 3827421 C1CCC(C1)C(C2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4C=C3 1 5.269 1 1 -4.36790550188952 3827375 CN(C)C=NN1C=NC2=CC=CC=C2C1=O 1 0.513 4 1 0 -3.73035575072615 3827276 CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=C(C4=CC=CC=C4O3)C 1 4.358 1 4 -4.37992992757108 3827251 C1=CC(=CC(=C1)OC2=NC(=CC=C2)Cl)C(=O)O 1 3.282 1 3 -2.83773249340148 3827198 CC(C(=O)NC(=O)NC1CCCCC1)Cl 1 2.028 2 2 -7.8230048956711 3827190 CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)F)C(=O)C(=CC4=CC=C(C=C4)OCC(=O)O)S2)C 1 4.123 2 6 0 -32.080661333275 3827105 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=N 1 2.443 3 2 -13.5059824116981 3827066 C1=CC=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)[O-] 1 0.626 2 2 0 -12.1327561776657 3826996 CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CN=CC=C4 1 1.998 9 3 0 -23.4591345852857 3826964 COC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)CC(=O)O 1 2.73 1 4 -8.70034556000445 3826961 C1=CC=C(C=C1)CN2C(=C(C3=C2N=CN(C3=N)CCO)C4=CC=CC=C4)C5=CC=CC=C5 1 4.807 4 1 3.09290509890012 3826951 COC1=CC=CC(=C1)CCNC(=O)C2=CC=C(C=C2)C#N 1 2.805 2 2 -8.94904667344208 3826929 C1=CC=C2C(=C1)N=C(O2)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.773 4 3 0 5.43831771710544e-002 3826920 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)O)CC(C)C 1 2.32 4 4 0 -15.3009171845757 3826915 C1=CC2=C(C=CN2)C(=C1)OCCOCCO 1 1.436 1 3 0 -2.57977151138206 3826900 CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)OC)C3=CC=CS3 1 2.582 2 2 -6.04657397459199 3826889 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=CC=C4 1 3.512 1 1 -6.51521227300535 3826781 CC1=C(C=CC=C1Cl)NC(=O)C2CC3CCC2C3 1 3.903 1 1 2.56336889864284 3826771 CC(=NNC(=O)COC1=CC=C(C=C1)[N+](=O)[O-])C(C)(C)C 1 2.266 3 4 0 -9.25575090066483 3826763 CN(C)CC1=NN=NN1C2=CC=CC=C2 1 0.983 5 0 0 -7.76632109976384 3826746 CCOC(=O)CC1=CSC(=N1)NC(=O)CC2=CC=C(C=C2)Cl 1 2.978 2 3 -8.48524928670883 3826682 COC1=CC=CC=C1C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NCCS4 1 2.681 9 3 0 -32.1743358156084 3826640 C1=CC=C(C=C1)COC2=CC(=C(C=C2)C(=O)NCCCl)Cl 1 3.934 1 2 -6.87337582114098 3826565 CCNC(=O)CCC1=NC(=NO1)C2=CC=C(C=C2)C 1 1.739 3 2 0 -8.85144031441265 3826564 CC1=NC2=C(C(=NN2C(=C1)SCC(=O)C3=CC(=C(C=C3)O)O)C)C4=CC=CC=C4 1 4.039 3 3 0.978602090486751 3826552 C1=CC=C2C(=C1)N=C(C(=N2)C(F)(F)F)C(C#N)C3=CC=C(C=C3)Cl 1 5.166 3 0 5.82848912010151 3826550 C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CC(C(=O)O)NC(=O)CCl 1 3.288 2 4 -10.4707512576538 3826471 COC1=CC=CC=C1N2CCN(CC2)CCC3=CC=CC=C3 1 3.837 2 1 4.54226588802734 3826467 CC1(OC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C(=O)O1)C 1 3.386 0 7 0 -0.714166644806493 3826465 CCC(=O)NC1=CC=C(C=C1)C(=O)NN=C2CC(CC=C2C)C(=C)C 1 3.382 3 2 -9.78205928678504 3826217 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 0.666 3 6 0 -21.5491817554438 3826186 COC1=CC=C(C=C1)N2C3C(C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=CC=C4OC 1 2.436 3 6 0 -8.52293397563854 3826153 CC1=C(N=C(S1)C2=CN=CC=C2)OC(=O)C3CC3 1 2.27 2 2 -4.7777969152062 3826123 C1=CC=C(C(=C1)C(=O)NN=CC2=C(N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O)Cl)O 1 2.965 3 5 0 -1.74015936348936 3826078 CN(C)CCCNC(=O)C1=CC(=CN1)C(=O)CC2=CC=C(C=C2)Cl 1 2.727 3 2 -3.27363062738079 3826010 CC(=O)N1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC=CC=C3Cl 1 3.631 3 2 -0.398777077786333 3826009 CC(=O)N1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC=CC=C3O 1 2.724 3 3 3.65208759446806 3825997 COC1=CC=CC=C1C(O)P(=O)(OC2CCCCC2)OC3CCCCC3 1 4.439 0 5 -5.31900112024341 3825971 C1=CC=C(C(=C1)CS(=O)CC(=O)NC2=CC=CC=C2Cl)Cl 1 3.232 1 2 -1.30571766368775 3825970 C1CNC(C2=CC=CC=C21)C3=C(CC(CC3=O)C4=CC=C(C=C4)F)O 1 3.292 1 2 -12.886151718899 3825881 CC1(C(=NC(N1O)C2=CN=CC=C2)C3=CC=CC=C3)C 1 2.488 3 1 4.48444623007666 3825851 CSC1=NC2=C(C(=N1)NCC=C)SC=C2 1 2.896 3 0 -5.86304244797388 3825829 COC1=C(C=C(C(=C1)N2C(=O)C3=CC=CC=C3NC2=S)Cl)Cl 1 5.031 2 2 -6.00563764692555 3825803 CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N)C 1 1.48 6 3 0 0.154370713063612 3825787 CC1=CC=C(C=C1)SC2=NC(=NC(=C2)C(F)(F)F)N(C)C 1 4.629 3 0 2.47155465502912 3825785 CC1=CC(=NC2=C1C3=C(S2)C(=O)N=C(N3)SCC4=CC=CC=C4)C 1 4.584 3 1 -11.1770119284426 3825784 C1COCCN1C(=O)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl 1 4.725 3 2 -1.38608892708526 3825783 C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)CSCC(=O)O 1 1.862 1 3 0 -10.9487140192906 3825728 C1=CC=C(C=C1)N2C=CC=C2C=NNC3=NC=C(C=C3)[N+](=O)[O-] 1 3.262 5 2 0 -8.53654621997944e-002 3825726 CCC(C)C1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=NNC(=O)CSC4=NN=C(S4)C 1 5.593 5 2 0 -17.8044186094096 3825722 COC1=C(C=CC(=C1)C=NNC(=O)CSCC2=CC=C(C=C2)Cl)OC(=O)OC 1 4.142 2 5 0 -11.3693280834547 3825720 CCOP(=O)(C1=CC=CC(=C1O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)OCC 1 4.674 0 5 -3.184771026396 3825694 CC(CC1=CC(=C(C=C1)OC)OC)N2CCN(CC2)CC3=CC=CC=C3 1 4.11 2 2 0.365193465474625 3825655 CC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)C)[O-] 1 2.758 2 4 -2.90587310138212 3825639 CC1=CC=CC=C1OC2=NC=NC3=C2C=C(O3)C4=CC=CC=C4 1 4.949 2 2 6.49755896434722 3825597 C1=CC=C(C=C1)C(=O)NCCSC2=CC=C(C=C2)Br 1 3.976 1 1 -6.02227304029185 3825468 CC(=O)C(=NNC1=CC(=CC=C1)Cl)SC2=NN=C(N2C3=CC=CC=C3)C(C4=CC=CC=C4)O 1 5.551 5 2 0 -3.88323845754688 3825492 CCN1C(=C(C(=O)C(=C1C2=CC=C(C=C2)Cl)C(=O)OC)Br)C 1 3.428 1 3 -1.63463159813639 3825458 CCN1C2=C(C=C(C=C2)NC(=O)C3=COC(=O)C(=C3)Br)C4=CC=CC=C41 1 3.569 2 3 -1.05461952327809 3825418 CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=C(C)C3=CC=NC=C3 1 1.105 9 2 0 -27.5513469320263 3825380 CC1=C(SN=N1)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.868 2 3 0 -9.51511834386041 3825379 CCCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=C(C2=C(S1)CCCC2)C(=O)N 1 4.037 3 4 0 -20.5985407403462 3825310 CC(C)C1CC2=C(C(=NC(=C2CO1)N3CCOCC3)SC)C#N 1 3.127 3 2 -8.7590967999904 3825252 CC(C1=CC=CC=C1)C2=NN=C(S2)NC(=O)NC3=CC=CC=C3 1 3.419 4 1 -8.86547525018656 3825204 C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=C(C=C3)F)C(=O)NCC4=CC=CO4 1 3.324 3 3 -3.84818431455398 3825185 C1=CC(=C2C(=C1)N=CC=N2)C=NNC(=O)C3=CC=NC=C3 1 0.997 5 1 0 -4.14321461559163 3825151 CCCCN1C2C(NC(=S)N2)N(C1=O)C 1 1.623 4 1 0 -8.66256914052849 3825079 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)O 1 1.679 1 5 0 -13.1970665908465 3825064 CC1=C(OC2=CC=CC=C12)C(=O)N(CC3=CC=C(C=C3)Cl)C4CCS(=O)(=O)C4 1 4.08 1 4 -1.90179312309835 3825020 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NN=CC3=C(C=CS3)C 1 2.727 3 3 -8.75382795267192 3825007 CC1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 2.582 2 4 -9.80970656667165 3824994 CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OC(C)C(=O)NCC4CCC(CC4)C(=O)O 1 4.264 1 6 0 -23.0616478763828 3824991 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.723 3 3 -6.05531539271831 3824949 C1=CC(=C(C=C1Cl)Cl)CNC(=O)CSCC(=O)O 1 2.248 1 3 -12.9915127154408 3824948 CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC(=CC=C4)OC 1 3.373 4 1 12.8551320868298 3824913 C1=CC=C(C=C1)C(=O)CC=NOCC2=C(C=CC=C2Cl)Cl 1 4.421 1 2 -4.00681314605071 3824912 C1CCC(CC1)NC(=O)C2=C(C=CS2)NC(=O)C3=CC=CC=C3 1 3.634 2 2 -11.2698173277778 3824898 CCC(C)(CC(=O)NC1=NC=CS1)C2=CC=CC=C2 1 3.017 2 1 -6.46502728088865 3824882 COCCCNC1=NC(=C(C(=N1)NC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-])N 1 0.946 6 5 0 -3.0970981104036 3824838 CSCCC(C(=O)NCC1=CN=CC=C1)NC(=O)OCC2=CC=CC=C2 1 1.904 3 3 0 -21.0300719363661 3824823 C1C(=O)C2=C(C3=CC=CC=C3C=C2)OC1(C(F)(F)F)O 1 3.042 0 3 1.52574968918782 3824794 CC(C)OP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CN=CC=C2)NC3=CC=CC=C3 1 4.204 3 2 -12.3072402689728 3824728 CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)S(=O)(=O)CC)S(=O)(=O)C3=CC=C(C=C3)C 1 2.878 1 7 0 -19.5566280979199 3824726 CC(=O)NC1=NC=C(C=C1)SC2=CC=CC=C2C(=O)NCCCOC 1 1.596 3 3 0 -14.6266394377665 3824662 C1=CN=C(N=C1C2=C(SC(=C2)Cl)Cl)SCC#N 1 3.371 3 0 -4.24170568057012 3824659 C1CC(OC1)CNC(=O)C2=CC(=CN2)C(=O)C3=CC=C(C=C3)F 1 2.391 2 3 -8.98560619940267 3824556 C1CCC2=C(C1)C3=C(S2)NC(NC3=O)C4=CN=CC=C4 1 2.467 3 1 -6.87033253110317 3824523 CC1(C2CCC1(C(C2)NC(=O)C=C)C)C 1 2.404 1 1 -4.43796504147766 3824479 C1CN(CCC1(CSC2=CC=CC=C2)O)S(=O)(=O)C3=CC=CC=C3 1 2.426 1 3 -10.54602346748 3824477 C1=CC=C(C(=C1)C(=O)NN=CC2=COC=C2)O 1 1.545 2 3 0 -3.96059373209272 3824474 CC(=O)N1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.861 4 4 0 -2.15364349999467 3824364 C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)C(=O)O 1 2.546 2 5 0 -11.0207641207727 3824363 CCCCCCSC1=NC(=O)C(=C(N1CC)O)C2C3=C(C(=C(C=C3)OC)OC)C(=O)O2 1 4.838 2 6 0 -16.8094213084964 3824334 CCC(CO)NC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl 1 2.578 5 1 3.76333989371491 3824285 CCCC1CC2=C(CO1)C=C(C(=N2)Cl)C#N 1 2.81 2 1 -3.14737931826587 3824063 CCCCC(CCCC)(C(=O)NN=C(C)C1=CC=C(C=C1)Cl)O 1 4.66 2 2 -10.578678069961 3823994 CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCC3CCCO3 1 1.143 3 4 0 -11.3158297672575 3823949 CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CC4=CC=CO4 1 1.462 4 4 0 -19.2671381029325 3823933 CCCC1C2C(C(=O)N(C2=O)C3=CC=C(C=C3)OCCC)ON1C4=CC=CC=C4 1 4.494 2 4 -5.76172002646572 3823832 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)C(C(=O)OC)C(=O)OC)[N+](=O)[O-] 1 2.488 2 8 0 -16.5813783437928 3823799 CC1=CC=C(C=C1)C2=CC=NC3=CC(=NN23)C 1 2.818 3 0 -1.02565254261501 3823791 CC(C)C1=CC=C(C=C1)C=C2C(=O)N3C(=C(C(C(=C3S2)C(=O)N)C4=CC=C(C=C4)C(C)C)C#N)N 1 4.785 4 2 -12.9331909659582 3823782 CC1=CC=CC=C1N2C(=C(C(=O)NC2=O)C(C3=CC=NC=C3)C4=C(N(C(=O)NC4=O)C5=CC=CC=C5C)O)O 1 3.591 5 6 0 -6.91404711397865 3823728 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NN 1 1.16 3 4 0 -6.83283058928993 3823685 CCOC1=C(C=C2C(=C1)N=C3C4=CC=CC=C4N(C3=N2)C)OCC 1 4.285 3 2 -6.20026094826942 3823676 C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O 1 2.704 4 8 0 -5.17074948681756 3823661 CC1=CC(=NN1C2=CC(=NC3=C(C(=NN23)C)C4=CC=CC=C4)C)C 1 3.38 5 0 -4.86522778803993 3823564 C1CCC(=NOC(=O)C2=C(C=CC=C2F)F)C(C1)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.563 3 6 0 -3.81052210740695 3823502 CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SCC(=O)OC)C 1 3.83 1 3 -12.8491748129751 3823499 COC1=CC=C(C=C1)NC(=O)C2CC(=O)N3C=NN=C3S2 1 0.957 4 3 0 -6.33673410188241 3823464 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC=CO3 1 3.953 3 3 -5.48538811622185 3823459 CC1=CC=C(C=C1)N2C(=O)C3C(C4=C(NC(=O)S4)SC3C2=O)C5=CC=CC=C5 1 3.769 2 3 -3.97524332849507 3823453 CCOC1=CC=C(C=C1)N2C(=O)CC3=CC=CC=C3C2=O 1 2.806 1 3 -4.00133846745721 3823452 C1CCC(C1)(CC(=O)N2CCOCC2)CC(=O)O 1 0.567 1 4 0 -7.70162210579409 3823334 C1=CC(=CC=C1CNC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N)Cl 1 1.179 6 3 0 2.51247148148215 3823312 CC1(CC(=O)C(=CNCCN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F)C(=O)C1)C 1 1.107 4 3 0 -15.3752877422848 3823301 CN(C)N1C2=C(C(C(=C1N)C#N)C3=C(C=CC(=C3)OC)OC)C(=O)CCC2 1 1.215 4 3 0 -19.9278324174404 3823294 COC1=CC=CC(=C1)NC(=O)CSC2=NC3=NC=C(C=C3N2)Br 1 2.842 4 2 -8.98709049970265 3823257 CC(=O)NC(C(=O)NCC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)OC 1 0.985 3 4 0 -13.2147766369083 3823176 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.969 3 4 0 -7.67793452173316 3823020 CC1(CC(=O)C2(C3C(C(=O)N(C3=O)N(C)C4=C(C=C(C=N4)C(F)(F)F)Cl)ON2)C(=O)C1)C 1 1.647 4 5 0 -1.43060036683573 3823013 CC(=O)C1C(C(=C(CC1(C)O)NC2=CC=C(C=C2)OC)C(=O)C)C3=CC=CC=C3 1 2.469 1 4 -11.1916748192496 3822964 CC1=C(C(=NC(=S)N1CC=C)N2CCN(CC2)C3=CC=CC=C3)C(=O)C 1 3.534 4 1 -7.84352153544091 3822910 CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 0.414 3 4 0 -16.6092341602092 3822883 C1CS(=O)(=O)CC1N2C(=C(C=N2)C3=CC=C(C=C3)Cl)N 1 1.548 3 2 0 -9.33507976766507 3822882 COCCOC1=C(C=C(C(=C1)N2C=CN=C2SC)Cl)Cl 1 3.764 2 2 -1.60604349886964 3822832 CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3C(=O)N4CCOCC4 1 2.733 3 3 -2.30539191899834 3822803 CC1=NC(=NC(=C1)C2=CC=CS2)N3C=CC=C3 1 3.631 3 0 -0.781274175442272 3822801 CNC1=C(C=NN1C2=CC=CC=N2)[N+](=O)[O-] 1 1.272 5 2 0 -4.59523907961968 3822771 CCOC(=O)CCC(=NN=C1N(C(=O)C(S1)CC(=O)O)C2=CC=CC=C2)C 1 2.325 3 5 0 -18.7265061383663 3822763 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4C=C3 1 4.146 2 1 -2.01086594592549 3822759 CN(C)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC(=CC=C3)O 1 2.764 5 4 0 6.2168269149168 3822737 CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2)Cl 1 2.759 2 2 -2.80270801119073 3822725 C1C(C(=O)N(C1=O)C2=NC=CC(=C2)Cl)CC3=CC=C(C=C3)Cl 1 3.658 2 2 -1.00558274385657 3822647 CC1=CC(=NNC2=NC(=O)C(S2)CC(=O)NC3=CC=CC=C3F)CC(C1)(C)C 1 3.782 4 2 -16.3709930025934 3822591 C1=CC=C(C(=C1)NS(=O)(=O)C2=C(C=CC(=C2)N)Cl)Cl 1 2.899 2 2 -0.259258231806307 3822603 C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.417 2 3 -5.64119298960978 3821759 COC1=CC=C(C=C1)C2N(C(=O)CS2)C3=NN=C(S3)C45CC6CC(C4)CC(C6)C5 1 4.513 3 2 -8.61599049710218 3821753 CCOC1=CC=C(C=C1)NC2=NC(=O)C(S2)CC(=O)O 1 2.079 2 4 -11.8650257201486 3821706 CN1C(=O)N(C2(C1(NN3C(=O)C(=CC4=CC=CC=C4F)SC3=N2)C5=CC=CC=C5)C6=CC=CC=C6)C 1 4.883 5 2 0 -4.9574699243336 3821705 COC1=CC=C(C=C1)C=C2C(=O)N3C(=C(N=C3S2)C4=CC=CC=C4)C5=CC=CC=C5 1 6.114 2 2 -2.98535125972092 3821695 CC1=CC(=O)OC(=C1C(=O)NNC(=O)C2(CC2Br)C)C 1 1.042 2 4 0 -9.97585645703627 3821685 COC1=C(C=C2C3CC4=NC(=NC=C4C(=O)N3CCC2=C1)N)OC 1 1.11 4 3 0 -9.33580310734801 3821594 CC(C)OP(=O)(C(C1=CC=C(C=C1)N(C)C)O)OC(C)C 1 2.353 1 4 -5.97954684605453 3821545 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC(=CC=C3)OC)C4=CN=CC=C4 1 1.63 9 3 0 -25.5465518335267 3821512 CCC(CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O 1 2.065 2 5 0 -11.2098599322253 3821495 COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CO5)OC 1 1.891 5 5 0 -26.6274926816394 3821487 C1=C(OC(=C1)Br)C=NNC(=O)CCC(=O)NN=CC2=CC=C(O2)Br 1 2.014 4 4 0 -9.74103200596567 3821472 CCN1CCN(CC1)C(=O)C23CCC(C2(C)C)(C(=O)C3Br)C 1 2.212 2 2 -5.20178174151423 3821471 C1=CC=C2C(=C1)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2 1 2.229 3 3 -8.19785782232576 3821462 CC1=C(C=CC(=C1)N2C(=O)CC3=CC=CC=C3C2=O)C(C)C 1 4.154 1 2 -3.56259385486928 3821437 C1CN(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3 1 3.121 4 4 0 0.865098609126719 3821413 CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NN 1 0.194 6 3 0 -11.1671720170479 3821373 COC1=CC=CC(=C1)C(C#N)N2CCOCC2 1 1.44 2 2 0 -3.45641774424449 3821371 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SC3=NC=C(C=C3)C(=O)OC 1 3.663 2 5 0 -9.31858034008491 3821322 C1=CC=C(C=C1)C(=O)CC=NOCC2=C(C=C(C=C2)Cl)Cl 1 4.421 1 2 0.754509134200791 3821317 CCOC(=O)C1(C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)CC)C 1 1.211 1 6 0 -16.07859639159 3821190 C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCCN3C=CN=C3 1 1.631 4 2 0 -4.71200302388902 3821188 COC1=C(C(=NC=C1)N2C=CC=C2C=NOC)C#N 1 2.114 4 2 -5.73628323329394 3821187 CCOCCOC(=O)C1=CN=C(C=C1)N2C=NC(=N2)C 1 0.789 4 3 0 -9.69658023271069 3821091 C1=CC=C2C(=C1)C(=NC=N2)NC3=C(C=CC(=C3)[N+](=O)[O-])O 1 2.492 4 3 0 7.2132334394051 3821070 CN(C)C(=O)C1=CN(C(=O)C2=CC=CC=C21)N(C)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.106 4 2 -4.79410364404287 3820951 CC1(C(N(C(=S)S1)NC(=O)NC2=CC=CC3=CC=CC=C32)N(C(=O)NC)O)C 1 3.255 5 3 0 -8.41133787859848 3820943 CC1=CC(=CC(=C1)OCCN(CCOC)CC2=CC=C(C=C2)Cl)C 1 5.041 1 2 4.88744732581186 3820940 CC1=CSC(=C1NC(=O)C2=CC=C(C=C2)F)C(=O)O 1 2.889 1 3 -5.43728013484574 3820842 C1CN2C(N(C(=O)N2C1)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 3.219 3 1 -3.47905478853747 3820836 CN1CC(C(C1)C(=O)C2=CC(=CC=C2)OC)C3=CC=C(C=C3)Cl 1 3.874 1 2 2.03101969079164 3820678 C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)NN 1 2.337 4 3 0 -3.35816017261012 3820674 C1CSC2=NC(=O)C(=C(N21)O)C(C3=CC=C(C=C3)O)C4=C(N5CCSC5=NC4=O)O 1 2.943 4 5 0 -9.50049218760759 3820657 CCOC1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2 1 3.142 2 2 -9.94038484865309 3820623 CC1=CC=C(C=C1)CN2C3=C(N=C2NN=CC4=CC=NC=C4)N(C(=O)N(C3=O)C)C 1 2.342 7 2 0 -15.224215728624 3820592 C1CCC(CC1)N=C2C=CC3=NC45CCCCC4CC6=C(N5C3=C2)CCCC6 1 5.822 3 0 -0.505405841435597 3820550 COC1=C(C=C(C=C1)C(=O)CCS(=O)(=O)C2=CC=C(C=C2)F)OC 1 3.032 0 5 -12.3658251612054 3820491 C1CC(=O)N(C1=O)CC(=O)NC2=NC3=C(S2)C=C(C=C3)Br 1 1.423 3 3 0 -7.37221536362758 3820477 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(Cl)Cl 1 2.083 2 3 -2.72752888990605 3820409 C1=CC=C(C(=C1)CNCC(C(F)(F)F)O)Cl 1 2.528 1 1 -0.519437570792334 3820380 CC(C)C1=C2CCCCC2=C3C(=C(SC3=N1)C(=O)O)N 1 3.84 2 2 -6.07334926168952 3820364 CC1=NC2=C(C(=NN2C(=C1)C(F)(F)F)C3=C(N(N=C3)C)C(F)(F)F)Cl 1 4.251 5 0 -5.96079440431485 3820359 CCN1C(=NNC1=S)C2=CC=CC=C2SC 1 2.992 3 0 -6.64788231654907 3820335 CCC1=C[N+](=CC=C1)C2=C(SC(=N2)[O-])C=NNC(=O)C3=CN=CC=C3 1 2.538 5 2 0 -13.6318945932989 3820312 C1CNC(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3 1 2.355 2 1 -11.2842671212142 3820305 CC1=C(C2=CC=CC=C2N1)C3(C4=CC=CC=C4N(C3=O)CC#C)O 1 3.55 2 2 -2.83697357350932 3820300 COC1=CC=C(C=C1)OCC(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 1 1.894 1 5 0 -16.7054820541905 3820270 CN(C)C(=O)NC(C(Cl)Cl)O 1 0.344 2 2 0 -4.10610329583065 3820260 CC1=CC(=NN1C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SCC(=O)O)C 1 3.389 4 3 0 -24.3583033785378 3820225 CC1=CC2=C(C=C1)C(=C(O2)C(=O)N(CC3=CC(=C(C=C3)OC)OC)C4CCS(=O)(=O)C4)C 1 3.869 1 6 0 -9.32116469468743 3820220 C1=CC=C(C=C1)NC(=S)NN=CC2=C(N=C(S2)[O-])[N+]3=CC=CC=C3 1 4.149 5 1 -12.389569443315 3820176 CC12CS(=O)(=O)CC1SC(=S)N2C 1 1.702 1 2 0 -7.3428743452932 3820161 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=CC=C3F)C4=NC=CC=N4)O 1 2.45 3 4 0 -13.4676627272813 3820149 C=CCOC1=CC=CC(=C1)C2C3=C(C(=O)N2C4=CC=CC=N4)OC5=CC=CC=C5C3=O 1 3.923 2 4 -11.6546008608097 3820140 CN(C)S(=O)(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.658 3 6 0 -11.2682633775436 3820112 CCC1(CC2=C(CO1)C=C(C(=O)N2)C#N)C 1 0.431 2 2 0 -9.60000041559565 3820091 CC(=O)C(C=NOC)C(=O)NC1=C(C=C(C=C1)Cl)Cl 1 1.924 2 3 0 -4.37333758668221 3820090 CC1=NN(C(=O)N1C2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.34 4 3 0 -3.06849983461326 3820076 CC(=NNC(=O)C(=O)NCCO)CC(=O)NC1=CC=CC(=C1)C(F)(F)F 1 4.7e-002 4 4 0 -7.92667140784326 3820047 C1CC(CN(C1)C(=O)C2=CC=CC=C2F)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.099 3 2 -5.19877727758329 3820030 CCC1(NC(=S)N(N1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl 1 5.735 3 0 6.33739750192174 3819840 COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3CCCO3 1 2.165 2 4 -15.5237100128486 3819814 CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCCC(=O)O 1 2.099 2 5 0 -24.8002810227587 3819793 C1COCCN1C(=O)C2=CC3=CC=CC=C3O2 1 1.526 1 3 0 -1.60351334847223 3819733 COC(=O)CC1COC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)Br 1 3.058 1 5 -12.3933249402905 3819693 CC1=CC=C(C=C1)S(=O)(=O)NC(C)COC 1 1.473 1 3 0 -10.2727000765994 3819689 CC(C)CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OC(C)(C)C 1 4.879 2 8 0 -18.0620812192253 3819666 CC(=O)NC1=NON=C1C(=NC(=O)C)NOCC2=CC=CC=C2Cl 1 1.068 5 4 0 -5.49749871716514 3819599 CC(C(=O)OCC(=O)C1=CC=C(C=C1)F)N2C(=O)C3C4CC(C3C2=O)C=C4 1 1.763 1 5 0 -9.67404447607958 3819584 CC1=CN2C(=C(C=N2)C3=CC=C(C=C3)Cl)N=C1C4=CC(=C(C=C4)OC)F 1 4.908 3 1 4.74177650699893 3819583 CCNC(=O)C(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3 1 3.375 2 2 -3.8732449777517 3819554 CC(C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3 1 2.476 5 2 0 -7.68225980164478 3819535 CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)Cl 1 2.579 3 3 -5.61176182841253 3819383 C1=CC(=CC=C1CON=C(C2=CC=NC=C2)N)[N+](=O)[O-] 1 1.265 4 3 0 -0.177130967758093 3819338 C1CCC2=C(C1)C3=C(S2)N4C(CSC4=NC3=O)CBr 1 4.063 2 1 -12.0042473765639 3819304 C1=CC=C(C(=C1)NC(=O)CC(=O)NC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-] 1 1.704 4 6 0 -5.9175039142285 3819296 CC1=C(N=C(S1)NN=CC2=CC=CS2)C3=CC=CC=C3 1 3.854 3 0 -0.245806887149309 3819224 CC(=NNC(=O)CNC(=O)CCC1=CC=CC=C1)C2=C(C=C(C=C2)OC)OC 1 2.181 3 4 0 -17.7647441080446 3819222 CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)NC(=O)C)OCC)C 1 2.781 6 5 0 -15.1163186374863 3819199 C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4 1 4.312 3 2 -2.2743649190619 3819005 C1C(O1)C(=O)C2=C(C=NN2)C3=CC=C(C=C3)Cl 1 2.178 2 2 -0.232442129101594 3818998 CC1=NC2=C(C(=NN2C(=C1)NC3=CC=C(C=C3)NC(=O)C)C)C4=CC=CC=C4 1 3.396 5 1 -8.12862659918679 3818979 CC1=CC=C(C=C1)C2=NN(C(=O)CO2)CCC#N 1 1.472 3 2 0 -6.11790959612463 3818978 C1CN(CCC12NC(=O)N(N2)C3=CC=CC=C3)C(=O)N 1 0.175 5 2 0 -3.12336801164744 3818974 C1=CC(=CC(=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 2.715 5 3 0 -9.73351236721164 3818917 CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)N 1 2.577 4 2 -2.06817786068355 3818861 CC1CCCCN1S(=O)(=O)C2=CC(=C(N=C2)Cl)Br 1 2.713 2 2 -6.98438576993438 3818816 CCCCC1C2C(C(=O)N(C2=O)C3=CC=C(C=C3)C)ON1C4=CC=CC=C4 1 4.58 2 3 -6.25001067486548 3818712 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN=C(C=C2)C(F)(F)F)C 1 3.303 2 2 -2.49697089361022 3818708 CC1=CC=C(C=C1)CN2C=CC(=O)C(=C2C)OCC3=CC=CC=C3 1 3.74 1 2 -2.22297929109154 3818657 CC1=CC(=C(C=C1)C)NNC(=S)N 1 2.725 3 0 -2.09509253137125 3818651 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)N3CCC4=CC=CC=C4C3 1 3.587 2 2 -9.52484161130396 3818627 CC1C(=CC2=CC=CC=C2O1)C=NNC(=O)C3=CC=C(C=C3)C 1 3.604 2 2 -4.62176307006552 3818607 C1=CC=C(C(=C1)C2=NN=C(N2N)C3=CC=CC=C3N)N 1 1.059 6 0 0 -1.8251483623196 3818600 C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3 1 2.394 1 4 -10.3581565689884 3818561 C1C(C(=O)N(C1=O)C2=CC=CC=C2)NNC(=O)C3=CC=C(O3)COC4=CC=CC=C4Cl 1 2.946 3 5 0 -10.1551585598308 3818527 COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CC(=O)NN=CC4=CC=CC=C4)OC 1 4.183 4 3 0 -12.3179693800161 3818470 C1CCN(C1)C(=O)COC2=CC=CC=C2C=NNC(=O)C(=O)NC3=CC=CC=C3F 1 1.865 4 4 0 -12.701999046429 3818445 CC1CCCN(C1)CC(=O)C2=C(NC3=CC=CC=C32)C 1 3.251 2 1 0.274868361797272 3818341 CCC(=C1C(=O)CC(CC1=O)(C)C)NNC2=NC3=CC=CC=C3C4=CC=CC=C42 1 3.73 3 2 -8.4116433698845 3818325 CN1C(CC(O1)COC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.454 1 3 -0.960404464343909 3818324 C1CCN(CC1)CC2=C(N=C3N2C=CC=C3)C4=CC=C(C=C4)Cl 1 4.387 3 0 2.55907983341163 3818323 CCOC(=O)CNC(=S)N1C(=NC=N1)N 1 0.52 5 2 0 -10.4215037592495 3818318 C1=CC(=C(C(=C1)Cl)C=NN2C(=NNC2=S)C3=CC=CS3)Cl 1 5.029 4 0 -7.11532974228905 3818313 CCOC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=C(C=C4)OCC 1 3.481 8 4 0 -25.2374814260047 3818185 CCOC(=O)C(C)C(=NNC(=S)N)C 1 0.953 3 2 0 -7.85618244982571 3818147 CC(C(=O)NN)OC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=CC=N3 1 1.725 5 2 0 -1.75447161029671 3818050 CC(C)OP(=O)(C(C1=CC(=C(C(=C1)OC)OC)OC)O)OC(C)C 1 2.142 0 7 0 -7.03425557716996 3818017 CC(C)N(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCC(=O)O 1 2.407 5 4 0 -7.16770821986211 3818016 CC1=CC(=C(S1)C)C2=CC=NN2 1 2.036 2 0 -1.22736493799011 3817968 CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O 1 2.054 1 7 0 -9.48168577016093 3817787 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3CCCCC3 1 3.878 2 1 2.00103376916048e-002 3817775 CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CN=CC=C2 1 2.009 4 2 -13.3008342995808 3817666 COC1=C(C=C(C=C1)C2CC(=O)N3C(=NC(=N3)C45CC6CC(C4)CC(C6)C5)S2)OC 1 4.688 3 3 -2.60814827355778 3817664 C1CN(CCC1(CN2CCN(CC2)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4 1 2.004 3 3 -6.87322189578197 3817663 CC1=CC(=CC=C1)N2CCC3=C(N=C(N=C32)SC)C 1 3.615 3 0 0.89210231707698 3817628 CCN(CC)CCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C(F)(F)F 1 4.403 5 0 -9.96260752455552 3817619 CC1=CC(=NC(=N1)NN=CC2=CC=CC=C2OCC3=CC(=CC=C3)Br)C 1 4.434 4 1 -2.02658262443889 3817606 CC1C(OC2(O1)C3=CC=CC=C3NC2=O)C 1 1.274 1 3 0 -6.054298692678 3817577 C1=CC(=CN=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=C(C=C4)C(=O)N 1 1.661 6 3 0 -17.904351525212 3817563 CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)CO)O 1 -0.494 5 5 0 -16.0723120841114 3817475 CC1C(=O)N(C(=O)CS1)CC2=CC=C(C=C2)C 1 2.084 1 2 -7.17366982847268 3817476 CCS(=O)(=O)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCCOC 1 -0.312 2 7 0 -24.1577358961429 3817509 CC1=C(C2=CC=CC=C2N1)CC3=NNC(=S)O3 1 3.017 3 1 -2.77492215131889 3817492 CC1=C(C=CC(=C1)Cl)OC2=CC=CC=C2C(=O)CC#N 1 4.34 1 2 -1.76601102421165 3817326 CCN(C1=CC=CC=C1)C(=O)C(C)Cl 1 2.521 1 1 -4.37564382434678 3817325 CCOC1=C(C=C(C(=C1)C2C(=C(NC(=O)N2)C)C(=O)NCC3=CC=CC=C3)Cl)O 1 2.756 3 4 0 -28.5153011914555 3817304 CN1C(=C(C(=O)N=C1SC)C(C2=CC(=C(C=C2)OC)O)C3=C(N(C(=NC3=O)SC)C)O)O 1 3.289 4 6 0 -3.94947098439773 3817300 CC1=CC=C(C=C1)CN2C3=C(C=C(C2=N)C(=O)NC4CCCCC4)C(=O)N5C=CC=CC5=N3 1 3.182 5 2 0 -18.0669396288709 3817294 CC(C)OP(=O)(C(C1=C(C=C(C=C1)OC)OC)O)OC(C)C 1 2.158 0 6 -4.08582146747823 3817292 C1CS(=O)(=O)CC1NC(=O)OC2=CC=C(C=C2)Cl 1 1.765 1 4 0 -9.77177059085635 3817224 CC(=NNC(=O)CC#N)CC(=O)C1=CC=CC=C1 1 0.97 3 2 0 -11.2728050980782 3817095 CCOC(=O)C1=C(OC(=C(C1C2=CC=C(S2)Br)C#N)N)C3=CC=CC=C3 1 3.509 2 3 -9.73960744552474 3817062 CC1=CC=C(C=C1)C2=NC(=O)C3=C(N2)C=CS3 1 2.933 2 1 -4.89515192019606 3817031 C1=CC=C(C=C1)CN2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)F 1 4.443 2 1 -5.76337312605815 3817021 CCOC(=O)C1=C(N2C(=O)C(=C3C4=CC=CC=C4NC3=O)SC2=NC1C5=CC=C(C=C5)OC)C 1 3.351 3 5 0 -15.5089797049634 3817017 CC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)NN 1 1.305 4 3 0 -0.712574726040821 3816996 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=C2C=C(C=C3)Cl)C(=O)O 1 4.007 1 5 -5.64193803878997 3816803 CCOP(=O)(C(C1=CC=C(C=C1)F)NC2=CC=CC(=C2)C(F)(F)F)OCC 1 4.581 1 3 -2.00739636363731 3816821 CC1=C(C(=CC=C1)C)NC(=O)C2CC3CCC2C3 1 3.724 1 1 -2.01545948706608 3816795 COC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br)NC(=O)C3=CC=CO3 1 3.421 3 6 0 -11.5226379268902 3816730 CC1CN(CC(O1)C)C2=NC3=CC=CC=C3C=C2C4=CC=CC=C4 1 4.058 2 1 1.34017013316806 3816728 CN1CC(C(C1)C(=O)C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(C=C3)Cl 1 4.833 1 1 6.14364827966749 3816676 C1CN(CCC1C(=O)N)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Br 1 1.943 3 5 0 -1.08398255233713 3816642 C1=CC2=NC3=C(C=C(C(=N)N3CC4=CN=CC=C4)S(=O)(=O)C5=CC=C(C=C5)F)C(=O)N2C=C1 1 1.531 5 3 0 -20.3151741124382 3816601 CC(C)OC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C4=CC=CC=C4 1 3.54 9 3 0 -24.466516783309 3816582 CC1=CC=C(C=C1)C2CN(CC2C(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4 1 5.59 1 1 3.10081216637331 3816581 CC1=CC=C(C=C1)OC2=NC=C(C=C2)C=NO 1 3.091 2 2 4.19111592016907 3816576 C1=CC=C(C=C1)C2=C(SC(=N2)N3C(=C(C=N3)C4=CSC=C4)N)CC(=O)O 1 3.514 4 2 -1.36384407687933 3816552 CC1=CC=C(C=C1)S(=O)(=O)N=C(C)N(C)C 1 0.831 2 2 0 -5.71912057145912 3816461 CC1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C=C2)N3CCN(CC3)C 1 1.691 4 2 0 1.63242615494952 3816448 C1=CC(=NC(=C1[N+](=O)[O-])NCCCC(=O)O)NCCCC(=O)O 1 0.898 4 6 0 -10.026176261409 3816425 CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NOC(=C3)C)O)C(=O)C4=CC5=CC=CC=C5O4 1 4.552 2 6 0 -15.1987235543434 3816389 COC1=CC(=C(C=C1)C=NN=C(N)N[N+](=O)[O-])OC 1 3.038 5 4 0 0.493074228780926 3816371 C1=CC(=CC=C1C(C2=C(N=CNC2=O)O)C3=C(N=CNC3=O)O)Br 1 1.324 4 4 0 -5.88608750618898 3816369 CC1=C(C2=C(O1)C3=CC=CC=C3C(=O)C2=O)C(=O)C4=CC=CC=C4 1 3.753 0 4 0.209421038521266 3816276 CS(=O)(=O)ON=C1CCCCC1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.433 3 7 0 -5.38643117595114 3816273 COCCNC(=S)NC1=CC(=C(C=C1C#N)OC)OC 1 2.227 3 3 -15.8338711502178 3816272 COC1=CC=C(C=C1)C(=O)ON=CC2=CN=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.283 2 5 0 -2.88885504723637 3816271 C1=CC=C(C=C1)NC(=O)C2=CC=C(S2)C3=CC=C(C=C3)F 1 4.583 1 1 -1.48429132465383 3816266 CC1=NC2=C(C(=NN2C(=C1)SCC(=O)C3=CC=CS3)C)C4=CC=C(C=C4)Cl 1 5.141 3 1 -6.05789583265664 3816263 CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OC(C)C(=O)NCC4CCC(CC4)C(=O)O 1 4.72 1 6 0 -21.3573704488448 3816254 C1=CC(=CC(=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3 1 3.863 2 3 -0.479033392785588 3816223 CN(C)C=NC(=O)C1=CC(=CN1)C(=O)C2=CC=CC=C2 1 1.999 3 2 0 -3.89770295712769 3816222 CC1=C(C(=O)NN1C2=CC=C(C=C2)F)C3=CC=CC=N3 1 2.488 3 1 -0.394108945139315 3816221 COC1=CC=C(C=C1)N2CC2C3=CC=NC=C3 1 2.256 2 1 1.91569240849227 3816220 COC1=CC=C(C=C1)C2=C(N(N=C2)C3CCS(=O)(=O)C3)N 1 0.867 3 3 0 -11.570044667396 3816212 COC1=CC=C(C=C1)C=NNC2=NC(=O)CC(S2)C(=O)O 1 1.799 3 4 0 -8.44867946591185 3816167 C1=CN(N=C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)F)F)[N+](=O)[O-] 1 3.146 4 3 0 -6.02909842013342 3816115 CCOC(=O)C(C(F)(F)F)(NCCOC)NC(=O)C 1 0.3 2 4 0 -12.064277910936 3816067 COC1=CC=CC(=C1)C2=NC(=NO2)CS(=O)(=O)C3=CC=CC=C3 1 2.506 2 4 -3.25506325500607 3815983 CC1=CC(=CC=C1)NC(=O)C2=C(C3=C(C4=C(CCN(C4)C)N=C3S2)C5=CC=CS5)N 1 4.318 4 1 -5.90963366154082 3815867 CC1(C2(CCC1(C(=O)C2=O)C(=O)NNC3=CC=CC=C3)C)C 1 2.444 2 3 -1.87003680341471 3815810 C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Br)C(=O)C3=CC=CC=C3 1 3.083 1 3 -11.7473859567638 3815789 COCCCN1C2=C(C3=NC4=CC=CC=C4N=C31)C(=O)N(C=N2)CC5=CC=CS5 1 2.927 5 2 0 -13.9549601191346 3815777 CC1=CC=C(O1)C=NNC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4 1 4.464 4 2 -13.8877675093526 3815730 C1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 3.808 2 2 -0.704648614568914 3815703 C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C(=NO)N)Cl 1 3.646 3 1 -0.352885491628376 3815623 C1C(ON=C1C2=CC=CS2)C(=O)NNC(=O)NC3=CC=C(C=C3)Cl 1 2.165 4 3 0 -5.93965621497579 3815521 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC23C=CC(O2)C4C3C(=O)N(C4=O)C5=CC=CC=C5)C 1 2.718 2 5 0 13.2504808352948 3815508 CCCCCC(=O)NC1=NC=C2C(=N1)CC(CC2=O)C3=CC=CS3 1 3.283 3 2 -23.674516247302 3815432 CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)O 1 2.001 4 4 0 -15.5864492613325 3815403 C1=CC=C(C(=C1)C2=CC(=NC(=C2C#N)N)C3=CN=CC=C3)F 1 2.871 4 0 -3.29227885352057 3815368 COC1=CC=C(C=C1)S(=O)(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4 1 3.921 1 4 -4.86553095103955 3815334 C1CCN(CC1)C2=CC(=O)N(N=C2C3=CC=CC=C3)CC4=C(C=CC=C4Cl)Cl 1 5.254 3 1 -2.5234431271359 3815333 C1CSCCN1CC2=C(N=C3N2C=CC=C3)C4=CC=C(C=C4)Cl 1 3.902 3 0 2.43004428545043 3815303 C1CC(OC1)CN2C(=NC3=NC4=CC=CC=C4N=C32)C5=CC=CC=C5 1 3.694 4 1 -9.87919157235835 3815267 COC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)CN5CCOCC5 1 3.959 3 4 0 -10.9325248193482 3815224 CC1=CC=C(C=C1)OCC(=O)NC2=C(SC=C2)C(=O)OC 1 2.745 1 4 -8.9871609704711 3815185 CC1=CC=CC=C1NC(=O)C2CC(=CCC2C(=O)O)Cl 1 2.536 1 3 -5.76543485376634 3815132 CN1CC(C(C1)C(=O)C2=CC=CS2)C3=CC=C(C=C3)Cl 1 3.844 1 1 0.292537724151211 3815129 C=CCSC1=NC2=C(C(=O)N1C3=CN=CC=C3)SC=C2 1 3.232 3 1 -24.0231389984888 3815085 CC1=C(C=C(C=C1)NNC(=S)N)Cl 1 2.904 3 0 -0.669451484844397 3815083 C1=CC(=CC=C1C2=C(N3C(=C(C=N3)C#N)N=C2)N)Cl 1 1.957 5 0 0 -3.06618399421258 3815079 CCOC(=O)C1=C(SC(=N1)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C 1 1.669 4 5 0 -9.29567826844245 3815065 CC1(CN(C1=O)C2=C(SC=C2)C(=O)O)C 1 1.553 1 3 0 -4.66111541256772 3815063 CC(=O)C1=CC=C(C=C1)N2C=CC(=O)C=C2 1 1.297 1 2 0 -5.90649358272281 3815037 CC1=NC2=C(C=NN2C(=C1)Cl)C3=CC=CC=C3 1 2.777 3 0 -1.97899454368143 3815003 CC1=NC2=C(C=NN2C3=C1CCNN3C)C#N 1 0.565 6 0 0 -9.09399962179508 3814971 C1CN(CCN1C2=CC=C(C=C2)F)C3=NC=C(C=C3)[N+](=O)[O-] 1 2.489 4 2 3.09481235465183 3814969 CCC(=O)C1=CNC(=C1)C(=O)NCC2=CC=CO2 1 1.595 2 3 0 -10.3034298159149 3814968 CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)NCC=C)SC3=CC=C(C=C3)C 1 4.124 3 1 -5.1934438201945 3814909 CN1C2=C(C(=O)N(C1=O)CCOC)N3CCCN(C3=N2)CC4=CC=CC=C4 1 1.317 5 3 0 -11.3179508198411 3814823 C1CC(=NNC2=CC=C(C=C2)Br)C(=O)NC1 1 2.113 3 1 -10.371357554916 3814820 CC1=CC(=NN1CCC(=O)NN=C(C)C(C)(C)C)C 1 1.714 4 1 0 -16.6811759325169 3814766 CN1CCN(CC1)C(=S)SCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 4.867 3 2 -8.97853424698721 3814736 C1=CC=C(C=C1)N=C(C2=CC=C(C=C2)Cl)NO 1 3.346 2 1 2.98547472519663 3814676 C1=CC=C(C(=C1)C(=O)NN=CC2=C3C(=CC=C2)N=CC=N3)O 1 1.905 4 2 0 0.334701904429176 3814650 C1C2=CC=CC=C2C(=O)N1C(CO)C3=CC=CC=C3 1 2.07 1 2 -6.97163600305829 3814647 CC1=NC(=NC=C1C(=O)O)SCC2=CC=C(C=C2)Cl 1 3.274 2 2 -4.79906276840719 3814643 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NN=C(COC3=CC=C(C=C3)Cl)N 1 4.301 4 3 0 -10.7482347273423 3814511 CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NC3=NC=CS3)C(C)C 1 2.563 3 2 -7.6749306061147 3814509 CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)NCCCN3C=CN=C3 1 2.117 4 2 -5.82262412097452 3814506 COC(=O)C(C1=CC=C(C=C1)N)C(=O)OC 1 0.805 1 4 0 -4.30614527607838 3814493 CN1C(=NN=C1SC)C2=C(C3=C(S2)C=C(C=N3)C(F)(F)F)C4=CN=CC=C4 1 4.149 5 0 2.09306789698119 3814435 C1=CC=C(C(=C1)C(=O)NNC(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 2.338 4 4 0 -8.46742175231795 3814431 CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)C 1 3.188 1 1 3.03504457623501 3814430 CCN(CC)C1=C(C(=CC(=N1)C2=CC=C(C=C2)Cl)C(F)(F)F)C#N 1 5.51 3 0 0.866678978913943 3814414 CCCCN(CCNP(=O)(OCC)OCC)CP(=O)(OCC)OCC 1 1.346 2 6 0 -7.42066508253647 3814288 CCCCC(C(C)CC(=O)NC1=NN=CS1)C(=O)O 1 1.808 3 3 0 -15.617761707829 3814317 CN1C=C(C2=CC=CC=C21)C3CC(=NN3C(=O)C4=CC=CC=C4)C5=CC=CC=C5 1 4.915 3 1 -8.11583380392561 3814148 CN1C(=C(C(=N1)C(F)(F)F)C=NOC(=O)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl 1 6.072 3 2 6.32540996084716 3814115 CC(=NNC(=O)CNC(=O)C1=CC=CO1)C2=C(C=C(C=C2)OC)OC 1 1.086 3 5 0 -13.7432227232619 3814080 CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.659 7 2 0 -8.14747137999553 3814070 CCC1(CC2=C(CO1)SC3=C2C(=O)NC(=N3)SCC)C 1 3.228 2 2 -19.8247878907616 3814069 C1CC(=C(C2=CC=CC=C21)Cl)C=NOCC3=CC=C(C=C3)F 1 4.774 1 1 5.78497272419433 3814068 CC(=O)C1=CN(C(=O)N(C1=O)CC2=CC=C(C=C2)F)CC3=CC=CC=C3 1 2.463 2 3 -6.76855263407641 3814040 C#CCN1CCN(CC1)C2=CC=C(C=C2)F 1 3.347 2 0 2.78558166488278 3814023 C1CC(OC1)CN2C=CC(=O)C(=C2O)CC3=C(C=CC=C3Cl)F 1 3.488 1 3 -9.82866664043706 3813977 CC1(C(SC(=S)N1C)N(C=C2C=CC(=O)C=C2)O)C 1 2.81 2 2 -3.79213875291086 3813972 CC(C)C1=CC(=C(C=C1)C2(C3=C(C=C(C=C3)Br)NC2=O)O)O 1 3.414 1 3 0.473016433850022 3813954 CCOC(=O)CC1COC2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.85 2 6 0 -12.5533904828101 3813873 C1CC2=C(C=CO2)C(=NOC(=O)C3=CC=C(C=C3)F)C1 1 3.085 1 3 -3.20167198594471 3813865 COCCNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N 1 0.923 6 3 0 -5.36044091391594 3813856 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)OC 1 3.158 3 6 0 -13.4683575608724 3813842 CC1=CC(=C(N1C2=NC=CN=C2)C)C=NNC(=O)C3=CSC=C3 1 1.75 5 1 0 -8.58619743749879 3813841 C1=CC=C(C=C1)CNC2=NC(=C(S2)C#N)Cl 1 2.79 3 0 0.185659235023474 3813808 CC1(CC(N(C(=S)N1)CCC2=CC=CC=C2OC)(C)O)C 1 3.338 2 2 -3.8192486782052 3813795 C1CS(=O)(=O)CC1N2C(=C(C=N2)C3=CC=C(C=C3)F)N 1 1.089 3 2 0 -10.4452014327866 3813794 CC1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCCN3CCOCC3 1 2.202 3 3 -7.6193726454938 3813724 C1CCC2C3(CC1)OC(C(C2(C(=N)O3)C#N)(C#N)C#N)C4=CC=CC=C4 1 2.573 4 2 -1.62195445775153 3813687 CCCCCCCCCOC(=O)C(CC(=O)O)N1CCOCC1 1 0.155 1 5 0 -12.5386687815507 3813662 COC1=CC=C(C=C1)N2C(=O)CS(=O)C(C2=O)C3=CC=CC=C3 1 1.698 1 4 0 -2.5853590884076 3813661 C1=CC(=CC=C1CN2C(=CC=C(C2=O)C(=O)N)C(F)(F)F)Cl 1 2.264 2 2 -0.433129021591256 3813628 CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Br)C 1 4.446 4 5 0 -24.2796242725486 3813597 CC1=C(C=CC(=C1)OC(C)C(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3)Cl 1 3.545 1 4 -14.8831413133829 3813548 CN1C2=C(N=C1NCCCOC)N(C(=O)N(C2=O)CC3=CC=C(C=C3)OC)C 1 1.276 5 4 0 -10.2842345371072 3813547 CCCCNC(=O)N(C1C(SC(=S)N1N=CC2=CC=CC=C2OC)(C)C)O 1 4.562 4 3 0 -8.67910539366929 3813537 COC1=CC=CC(=C1)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3 1 2.988 4 1 6.71012078846757 3813527 CCC1=CC=C(C=C1)C2CC(=NNC2=O)C3=CC=C(C=C3)Cl 1 4.15 2 1 -3.82818349390142 3813473 CC1=NC2=C(C=NN2C(=C1)NC3CCCC3)C4=CC=CC=C4 1 3.653 4 0 -6.35984837632663 3813450 CCCCNC1=C(N(C(=O)NC1=O)CC(C)C)N 1 0.73 4 2 0 -10.312060904556 3813418 CCOC(=O)C1(C(=O)NC2=C(O1)C=CC=N2)C 1 0.724 2 4 0 -5.63624529055221 3813407 CC1=CC(=CC(=C1)NC(=O)C2CC(=O)N=C(S2)NCC3=CC=C(C=C3)OC)C 1 3.865 3 3 -7.55801107329722 3813399 C1CC2=NON=C2C3(C1N(C(C3)C4=CC=CC=C4)O)O 1 0.947 3 3 0 0.558585829968927 3813351 CNC1=C(C=NN1C2=CC=CC=C2F)[N+](=O)[O-] 1 2.089 4 2 -4.86732715489884 3813349 CC1=NOC(=C1C#N)NC(=O)C2=CC=CC=C2C(F)(F)F 1 2.297 3 2 -8.58164359770053 3813305 COC1=CC=C(C=C1)C(C#N)C2=NNC(=O)C=C2 1 1.311 3 2 0 -6.07560871506883 3813292 CC1=CC=C(C=C1)C(=O)NNC2=NC(=O)CC(S2)C(=O)NC3=CC=CC=C3 1 2.645 4 3 0 -8.16524221052961 3813288 CC1CCCCC1NC2=NC(CS2)(C)C 1 3.414 2 0 -5.82653090580298 3813270 C1CC(OC1)CNC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=CC=C4)Cl 1 3.219 4 3 0 -7.73409036949477 3813249 C1=CC=C(C=C1)CNC(=O)CCC(=O)NN=CC2=CC=C(S2)Br 1 2.547 3 2 -12.6759752247383 3813231 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CCC(=O)NCC2=CC=CC=C2 1 1.976 3 5 0 -18.4214595349022 3813219 CN(C)C1=CC=C(C=C1)C=NNC(=O)CCC(=O)NCC2=CC=CC=C2 1 2.188 4 2 -17.4004665291461 3813203 COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCOCCO)O)C(=O)C3=CC=CO3)OC 1 1.077 1 8 0 -21.7704774247224 3813195 CNC(=S)NNC(=O)C1=CC(=CC=C1)C(F)(F)F 1 2.362 3 1 -5.63842904902181 3813190 C1CC(OC1)CNC(=O)C2=CC(=CN2)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 3.128 2 3 -6.57064190835024 3813131 CC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN3CCOCC3 1 1.422 7 3 0 -0.229735351803218 3813019 COCCCNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N 1 0.985 6 3 0 -5.23977944452739 3812990 C1C=NN(C1C2=CC=CC=C2)C(=O)NC3=CC=CC4=CC=CC=C43 1 3.48 3 1 -2.3631784785034 3812960 C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC=C(C=C4)C(F)(F)F 1 5.032 2 1 7.32805917311774 3812875 C1C(C(C(=O)CC1=O)N2C=NC=N2)C3=C(C=CC=C3Cl)F 1 1.901 3 2 0 -7.6472519848219 3812877 CC1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)O 1 1.869 2 3 0 -11.4709579228933 3812912 CC1CN(CC(O1)C)CC2=NC(=O)C3=CC=CC=C3N2 1 1.278 3 2 0 -8.61688719236056 3812861 CC(=NOCC(=O)NC1=C(C(=C(C(=C1F)F)F)F)F)C2=CC=C(C=C2)Br 1 4.088 2 2 -4.88413674339601 3812790 CN1C(=CN=C1SCC(=O)C2=CC=CC=C2)C(=O)OC 1 2.409 2 3 -6.58565914149206 3812774 CCCCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C 1 3.146 5 2 0 -4.97630833091991 3812720 CCOC(=O)C(C(C(=O)OCC)N1CCOCC1)C(=O)OCC 1 0.683 1 7 0 -7.73571692750386 3812718 C1COCCN1C2=C(C=C(C=C2)C=NOCC3=C(C=CC=C3Cl)Cl)[N+](=O)[O-] 1 4.352 3 4 0 -2.40647152551196 3812674 CC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2C(F)(F)F)C)SCC3=CC(=CC=C3)C(F)(F)F)C 1 6.799 3 1 -4.50787879856291 3812545 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=C(C=CC(=C3)OC)OC)C4=NOC(=C4)C)O 1 2.608 2 7 0 -17.5080210139495 3812524 CC1=CC(=NC2=C1C(=C(S2)C(=O)C3=CC(=C(C=C3)Cl)Cl)N)C 1 4.786 2 1 -1.3873483033391 3812479 C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)NN=CC5=CC=C(C=C5)Br 1 3.333 8 4 0 -24.6998892135427 3812455 CC1(C2(CCC1(C2Br)C(=O)N3CCN(CC3)C)C(Br)Br)C 1 3.075 2 1 -0.539281764712627 3812422 CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)Cl)C 1 2.807 1 3 -5.90338102749981 3812414 CC1=CC=C(C=C1)CN2C(=O)C=C3CCC4=CC=CC=C4C3=N2 1 4.284 2 1 -0.411504884108323 3812374 C1=CC=C(C=C1)CCNC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N 1 2.959 6 2 0 -2.37474192013301 3812360 CC1=NN(C(=C1C(=O)NC(C2=CC=CC=C2)C(=O)OC)Cl)C 1 1.855 3 3 0 -14.7757889258959 3812359 C1=CC(=CC=C1CNCC(C(F)(F)F)O)Cl 1 2.528 1 1 1.28193816913952 3812357 C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)C(F)(F)F)SCC(=O)O 1 3.574 1 3 -8.12448201881421 3812356 C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3 1 3.004 4 0 5.64801530500522 3812355 CC(C1=CC=C(C(=O)N1)C#N)OC2=CC=C(C=C2)Cl 1 2.354 2 2 -4.81950956423722 3812340 C1=CC=C2C(=C1)N=NN2S(=O)(=O)C3=CC=CS3 1 2.578 3 2 -8.24060511847145 3812266 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NN=C(S2)C 1 1.318 4 3 0 -11.7423049085254 3812146 CC(C)OC1=CC=C(C=C1)C(CC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3OC 1 5.747 1 3 -8.40960875779808 3812045 CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NC(C)C(=O)O)C(=O)OC 1 0.981 1 8 0 -16.6949036267071 3811993 C1CC(=C(C2=CC=CC=C21)Cl)C=NOC(=O)C3=CC=C(C=C3)F 1 4.639 1 2 3.53311436889022 3811962 CC1=CC=CC=C1N2C(=O)CC3=CC=CC=C3C2=O 1 2.96 1 2 -4.05499019971281 3811957 CC1=CC(=C(C(=O)N1)S(=O)(=O)C2=CC=C(C=C2)Cl)C 1 2.107 1 3 -11.9338046437622 3811927 CN1CCN(CC1)C(=O)C2=CC=CN(C2=O)CC3=CC=C(C=C3)C(F)(F)F 1 1.739 3 2 0 -1.05188121502376 3811926 COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(C=CS2)N3C=CC=C3 1 2.387 3 4 0 -11.2860053052284 3811925 C1CCN2C(C1)C(=O)NC3=C2C=CC(=C3)C(F)(F)F 1 2.793 2 1 -0.750969132382577 3811922 COC(=O)CC1COC2=CC=CC=C2N1CC3=CC=CC=C3 1 3.361 1 3 -7.87256529062668 3811913 C1COCCN1CCCNC(=O)C2CC3=C(O2)C=CC4=CC=CC=C34 1 1.88 2 3 0 -7.35074573697967 3811869 C1CC(=O)N(C1C(=O)NC2=CC=C(C=C2)Br)CC3=CC=CC=C3Cl 1 3.603 2 2 -7.84075685568569 3811859 COC1=C(C(=NC=C1)OC2=CC=CC=C2)C(=O)N=CNOCC3=C(C=C(C=C3)F)Cl 1 4.235 3 4 0 -8.89819914470802e-002 3811822 C1CN(CCC1CC2=CC=CC=C2)CC(C(F)(F)F)O 1 3.474 1 1 2.69112306712211 3811783 CC1=CC(=NN1C2=NN=C(N=N2)N3CCN(CC3)C4=CC=C(C=C4)F)C 1 2.712 8 0 0 3.6283055037124 3811774 CC(C1=NC2=CC=CC=C2N1)SCC(=O)O 1 2.053 2 2 -4.49240632840048 3811771 CN(C)C(=O)C1CCC(=O)N1CC2=CC=CS2 1 0.559 2 2 0 -10.4830987246563 3811762 C1=CC=C2C(=C1)C(=NC=N2)NN=CC3=CC(=C(C=C3)Cl)Cl 1 4.237 4 0 6.01694808805542 3811656 COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CCl)C3=CC=CS3)OC 1 3.205 2 3 -9.74284744796197 3811655 CC(C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O 1 3.223 1 4 -11.8002529979026 3811644 CCC1=CC=C(C=C1)NCC2=NC(=O)C3=CC=CC=C3N2 1 3.096 3 1 -5.57326657488596 3811641 CC1=CSC(=C1NC(=O)C2CCCCC2)C(=O)OC 1 3.371 1 3 -3.69903295227718 3811584 CC(C)OP(=O)(C(C1=CC=CC=C1)NC2=CC=CC(=C2)C(=O)O)OC(C)C 1 3.818 1 5 -11.122092856026 3811572 CC(=NNC(=O)CNC(=O)CC1=CC=CC=C1)C2=CC=C(C=C2)Cl 1 2.422 3 2 -12.711538871988 3811533 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3 1 1.377 1 6 0 -2.5485327211514 3811529 CCCN1C2=C(N=C1SC3=NC4=C(N3CCC)C(=O)NC(=O)N4C)N(C(=O)NC2=O)C 1 2.505 8 4 0 -6.65751075322245 3811495 C1COC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O 1 0.48 0 10 0 -16.2940651888759 3811447 C1CN2C(CC3=C(C2=O)C=NC4=NC(=NN34)SCC5=CC=CC=C5)C6=CC=CC=C61 1 4.204 5 1 -11.9010202144017 3811416 CCOC(=O)C1=NOC(C1)C(=O)NN(C)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.281 4 4 0 -6.88599794341731 3811376 C1=CN(C=C1)C2=C(SC=C2)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 2.906 3 2 -6.66360437188713 3811373 CC1C(NC(C(C1=O)C)C2=C(C(=CC=C2)OC)O)C3=C(C(=CC=C3)OC)O 1 3.181 1 5 -0.843096359226828 3811336 CCCSC1=NC2=C(C3=C(S2)COC(C3)(C)CC)C(=O)N1 1 3.752 2 2 -21.8324742544061 3811303 CC1=CC(=NN1)C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)F 1 2.943 6 0 -3.16026762175386 3811295 CC(C)N(C(C)C)C(=O)CC1N(C(=O)N(O1)C)C2=CC=C(C=C2)Cl 1 2.853 3 3 -9.54869138063877 3811294 C1=CC=C(C(=C1)C2=NN=C3N2C=C(C=C3Cl)C(F)(F)F)C(=O)O 1 3.482 3 2 6.33243721772707e-002 3811244 CC1=CC=C(O1)C2=CC=C(C=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4 1 2.551 1 4 1.1401851067113 3811214 CN(C)C(=O)C1=CC=CN(C1=O)CC2=CC=C(C=C2)C(F)(F)F 1 1.782 2 2 0 -2.5567149671739 3811213 C1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C=CS2)N3C=CC=C3 1 2.701 3 2 -8.2685231913865 3811187 CN1CCN(CC1)C2CC(=O)N(C2=O)CC3=CC=C(C=C3)N4CCCC4=O 1 0.562 4 3 0 -5.42843316625516 3811175 C1CCC(=O)C(C1)OC2=CC3=C(C=C2)C=CC(=O)O3 1 2.768 0 4 -6.79394853773966 3811174 CCOC(=O)CN1C(C2=C(C=CC(=C2)Br)NC1C3=CC=C(C=C3)O)C4=CC=CC=C4 1 5.488 2 3 -6.84886837985819 3811128 C1COCCN1CCCNC2=NC(=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])N 1 0.936 7 3 0 -0.386389490176567 3811082 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C(N)N=C(N)NC3=CC=CC=C3 1 0.858 7 1 0 -11.2628961601961 3811003 C1=CC=C(C=C1)C2C=CC(C3C2C(=O)N(C3=O)NC(=O)C4=CC(=CC=C4)Br)C5=CC=CC=C5 1 4.584 2 3 -2.92722663074975 3810992 CC1=NC2=C(C=CC=C2Cl)C3=C1CC(O3)CBr 1 3.859 1 1 0.512333096408346 3810951 CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.932 5 4 0 -12.9446407268869 3810898 C1=CC=C2C(=C1)C(=C(N2)C=O)N(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CCl 1 3.504 3 4 0 -5.5820200602088 3810882 CC(C1=NC=C(C=C1)[N+](=O)[O-])(C(=O)OC)C(=O)OC 1 1.141 2 6 0 -5.11207497165089 3810813 CCS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-] 1 2.594 4 5 0 -24.471136926398 3810808 CC1=CC=C(C=C1)CNC2=NC(=C(S2)C#N)Cl 1 3.277 3 0 1.00047413980307 3810807 CCC1CCCCN1C(=O)CN2C(=O)CSC2=O 1 1.335 2 3 0 -19.6128964701573 3810805 COC1=C(C(=NC=C1)OC2=CC=CC(=C2)C(F)(F)F)C(=O)N=CNOCC3=CC=CC=C3F 1 4.513 3 4 0 0.82481793246007 3810760 CON=CCC(=O)C1=CN=C(S1)C2=CC=C(C=C2)Cl 1 2.845 2 2 4.58569766212113 3810755 C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)F 1 3.012 2 5 0 -14.076265677057 3810732 CC(C)CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC 1 2.203 2 4 -13.484348370097 3810730 CC(C)CC(=O)NC1=NC=C(S1)[N+](=O)[O-] 1 1.341 3 3 0 -5.99899791992297 3810703 COC1=CC=C(C=C1)C(=O)N2C(COC3=CC=CC=C32)CC(=O)OC 1 2.59 1 5 -9.94218021738503 3810640 CCN1C(=O)C(N(C1=S)NC(=O)C2=CC=NC=C2)CC(=O)NC3=CC=C(C=C3)Cl 1 1.989 5 3 0 -12.4521696053023 3810584 CC1=CC=CC=C1NC(=O)C(C2CCCC2)C3=CC=CC=C3 1 4.847 1 1 -8.21474606169104 3810575 CC1=CC=C(C=C1)C2=C(SC(=N2)NN=CC3=CC=C(C=C3)OC)NC(=O)C 1 3.47 4 2 -0.594218020072846 3810561 C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)O)OC1 1 0.318 1 6 0 -13.3607646557138 3810543 CC1=C(C(=NC(=N1)N2CCOCC2)OC3=CC=CC=C3F)[N+](=O)[O-] 1 2.283 4 4 0 0.807652261382452 3810523 CC(=NNC1=NN2C=NN=C2C=C1)C3=CC=CC=N3 1 0.937 7 0 0 -3.59645085617731 3810506 CC1=CC=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3 1 5.533 2 1 -2.38695774044536 3810504 CN1C(=C(C(=N1)C(F)(F)F)C=NOC(=O)C2=CC=CC=C2)SCC3=CC=C(C=C3)Cl 1 6.079 3 2 1.03230922086475 3810481 CCOC(=O)C(C)N1C(=O)C2=CC=CC=C2C(=N1)C3=CC=CC=C3 1 3.244 2 3 -9.047324344742 3810418 CC(=NNC(=O)CNC(=O)C1=CC2=C(C=C1)OCCO2)C3=CC=CO3 1 0.904 3 5 0 -15.1345193232314 3810375 CCOC1=C(C=CC(=C1)C=NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCCC4)OCC(=O)O 1 3.66 7 4 0 -13.6820540085324 3810357 C1CN2C(CC3=C(C2=O)C=NC4=C(C=NN34)C#N)C5=CC=CC=C51 1 1.299 5 1 0 -9.94143562907253 3810203 CCOC(=O)C1=CC(=C(NC1=O)N2CCCCC2)C(=O)OCC 1 1.67 2 5 0 -7.37768981044644 3810147 C1C(NC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=CC=C4Br 1 5.51 2 0 0.682698070561276 3810109 CC(=NNC(=O)CNC(=O)CCC1=CC=CC=C1)C2=CC(=C(C=C2)Cl)Cl 1 3.543 3 2 -15.2140044519278 3810088 C1CN(C2=CC=CC=C21)C(=O)CSC3=CC=CC=C3C(=O)O 1 2.918 1 3 -14.7746833089221 3810079 CCNC1=NC(=NC(=N1)NN=CC2=CC=CC=C2)NCC 1 1.86 7 0 0 -4.35478443695903 3810077 COC1=CC=C(C=C1)C2=CSC(=N2)NC3C4=CC=CC=C4C(=O)O3 1 3.551 2 3 0.618553541832891 3810062 C1=C(C=NC=C1[NH3+])C(=O)[O-] 1 -3.071 2 2 0 -4.36028083056673 3810050 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC=N3 1 3.952 3 1 -10.0379007931799 3810046 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)CC3C(=O)NC(=O)S3)O 1 2.324 3 6 0 -12.1559249931433 3810030 CC1(CC2=C(C(=O)C1)C(C(=O)N2C3CCCCC3)(C(F)(F)F)O)C 1 2.65 1 3 -10.9717141957793 3810014 CC1=CC(=CC(=C1)OCCCN2C=CN=C2)C 1 2.59 2 1 1.94939040700681 3809944 CC(C)NC(=O)C1=CN=C(C=C1)N2CCOCC2 1 0.382 3 2 0 -13.1794215362677 3809942 COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4N3 1 4.301 5 1 -7.84313814217668 3809939 COC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2Br 1 3.236 1 4 -14.0690291272845 3809896 CC1(CC2=C3C4=C(C(=NN=N4)N5CCOCC5)SC3=NC(=C2CS1)N6CCOCC6)C 1 2.298 6 2 0 -10.5803684198168 3809886 C1=CC(=CC(=C1)Cl)C2=C(N(N=C2)C3=CC(=CC=C3)[N+](=O)[O-])N 1 3.511 4 2 3.4892373022371 3809812 C1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-] 1 1.979 6 3 0 -0.466146493719904 3809779 COC1=CC=C(C=C1)C(=O)NNC(=O)C2CCCN(C2)C3CC(=O)N(C3=O)C4=CC=CC=C4 1 1.648 4 5 0 -1.30724497963299 3809770 CC1=CC=CC=C1NC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.914 3 3 0 -8.48005918225683 3809745 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=CC=C4OCC(=O)O)Cl 1 5.053 4 4 0 -17.5897805590709 3809738 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)C3=NC4=CC=CC=C4N3C 1 3.69 3 2 -1.3049551826092 3809722 CC(C)(C)NC(=S)NNC(=O)C1=CC2=C(C=C1)N=CC=C2 1 2.537 4 1 -9.86559307986197 3809674 CC(=O)N1CCC2=CC(=C(C=C2C1C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC)OC 1 2.678 2 7 0 -16.2516530269707 3809672 C1=CC2=C(NC(=O)C(O2)CCOC(=O)C3=CC=C(C=C3)F)N=C1 1 1.915 2 4 0 -8.54543142803744 3809633 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCN(CC)CC 1 2.324 3 4 0 -16.0444256799121 3809599 COC(=O)C1=CC(=CC=C1)CN2C(=O)C(SC2=O)NC3=CC=CC=C3 1 3.565 2 4 -11.0629662054803 3809586 CC1=CC=C(C=C1)CNC(=O)CS(=O)CC(=O)O 1 0.294 1 4 0 -7.28299237980941 3809580 CC1=NOC2=C1C(=NC=N2)SC3=CC=CC=C3Cl 1 3.508 3 1 -2.26201184938689 3809552 COC1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=C(C=C3)OC)N 1 3.258 3 2 4.60914158795018 3809547 CC(CNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)CN(C)C 1 3.206 2 1 -2.73261155679913 3809482 CC(=O)N(C)CCC1=CC2=C(C(=C1C=NNC(=O)C3=CC=CC=C3O)OC)OCO2 1 1.847 3 6 0 -1.9523264946516 3809457 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)N 1 1.448 2 4 0 -12.8946155462835 3809436 CC(=O)N1CCCC1(C2=CC=CC=C2)C(=O)O 1 1.204 1 3 0 -2.52113601842859 3809383 COC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=O)N2O 1 3.154 2 3 4.50831019287573 3809362 CC(C)N=C(C1=CC=CC=C1)NC2=CN=CC=C2 1 2.45 3 0 -3.66149307696667 3809315 CC1=C(C(=CC=C1)NNC(=S)N)C 1 2.725 3 0 -0.179753786965866 3809297 CC1=CC(=C(C=C1)OC)NC(=S)N2CCOCC2 1 3.205 2 2 -13.0237641531406 3809289 CC1=CC(=CC=C1)NC(=O)C(=C(C)C)NC(=O)C2=CC=CC=C2 1 3.471 2 2 -7.05899598457723 3809288 CC1=C(C(=NN1C)N)[N+](=O)[O-] 1 0.312 4 2 0 0.100299661213852 3809276 CC1=CC=C(C=C1)C(=O)NNC(=O)C2CCN(CC2)CC3=CC=CC=C3 1 2.903 3 2 -1.54970414736786 3809266 COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C(=O)C3CCCO3 1 2.565 3 4 0 -24.5832496571055 3809194 COC1=CC=C(C=C1)C(CC(=O)O)C2=CC3=C(C=C2)OCO3 1 2.986 0 5 -6.87239114401238 3809150 C1CS(=O)(=O)CC1N2C(=C(C=N2)C3=CC=CC=C3)N 1 0.883 3 2 0 -11.6315948745671 3809138 C1CC2=CC(=O)N(N=C2C3=CC=CC=C31)CC4=CC=C(C=C4)Cl 1 4.462 2 1 1.4104938064785 3809132 CC1COC2=CC=CC=C2N1C(=O)C3=CN=C(C=C3)Cl 1 2.723 2 2 -8.98791648894768 3809123 CC(C)[N+]1=C2C=CC=CC=C2SC13C(=CC(=[N+]([O-])[O-])C=C3[N+](=O)[O-])[N+](=O)[O-] 1 2.938 4 6 0 -4.74280240832399 3808958 CC(=O)NC1=CC=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCOCC4)[N+](=O)[O-] 1 1.814 6 5 0 0.367047592029819 3808918 CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=CC=C4 1 2.461 3 1 -3.9969677300608 3808866 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CCC5=CC=C(C=C5)OC 1 3.713 4 4 0 -20.4875627505168 3808800 CC1=CC(=NN2C1=NN=C2)C(F)(F)F 1 2.015 4 0 -1.10552794600518 3808792 CN(C)S(=O)(=O)OC1=C(SC=C1)C(=O)NC2=CC=CC=C2Cl 1 2.381 2 4 -9.31867228032404 3808789 C1=C(C=NC(=C1Cl)C2=CN3C(=C(C=N3)C#N)N=C2)C(F)(F)F 1 2.385 5 0 2.66235088927699 3808658 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC)[N+](=O)[O-] 1 5.438 2 6 0 -13.9901569208735 3808679 CONC=NC(=O)NOCC1=C(C=CC=C1Cl)Cl 1 1.939 3 3 0 -0.441987902623421 3808680 CC1=C(N=C(S1)C2=CC=CC=N2)OC(=O)C3=C(C(=CC=C3)Cl)Cl 1 4.933 2 2 0.431385689839089 3808647 CC(=NNC(=O)C(C1=CC=NC=C1)N2CCOCC2)C3=CC=C(C=C3)Br 1 2.01 4 2 -10.2428309112332 3808628 CC1=NOC2=C1C(=NC=N2)OC3=C(C=CC(=C3)Cl)Cl 1 3.614 3 2 0.959492188524464 3808570 COC1=CC=CC=C1N(C(C#N)C2=CC=CC=C2)C(=O)CCCl 1 3.37 2 2 -10.7704285033482 3808505 CC(C)C(C(=O)NNC(=O)C1=CC=NC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 1.892 5 4 0 -22.1530200714909 3808464 CCC1=C(SC(=C1C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C)C 1 2.69 3 3 -16.4331007688818 3808415 CC1CC(=NNC2=NC(=O)CS2)CC(C1)(C)C 1 2.385 3 1 -12.5156438890469 3808410 CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)C)[N+](=O)[O-] 1 4.659 4 6 0 -18.3100643688163 3808385 COC1=CC(=CC(=C1)C(=O)NC(=S)N2CCCCC2C3=CN=CC=C3)OC 1 3.793 3 3 -8.86490387488869 3808295 CCOC(=O)C1=CC2=C(CCCC2)N=C1N 1 2.196 2 2 -8.51448697789077 3808188 CC(=NNC(=O)OC(C)(C)C)C1=CC(=CC=C1)[N+](=O)[O-] 1 2.468 3 4 0 -11.3319482842087 3808173 CCC(C)NCC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O 1 4.875 1 1 -0.410216802660845 3808167 C1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.748 4 4 0 -12.1219294304485 3808155 CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=CC=C3F 1 4.112 1 1 -9.41646710574693 3808153 COC1=CC=C(C=C1)COC(=O)NC(C2=CC=CC=C2)C(=O)O 1 2.784 1 5 -9.08371630551787 3808105 CC1=NN(C(C1)(C)C)C(C#N)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.731 4 2 0 -4.65837880400797 3808079 COC(=O)CN1C(C2=C(C=CC(=C2)Cl)N=C1C3=CC(=CC=C3)Cl)C4=CC=CC=C4 1 5.482 2 2 -2.76224497746212 3807976 CC(C)OP(=O)(C(C(=O)N)NC(=O)C1=CC=CC=C1)OC(C)C 1 1.076 2 5 0 -11.8735108909131 3807960 CCCOC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC3=CC=CC=C3O2 1 3.025 2 5 0 -4.91300587986782 3807916 COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.969 2 5 0 -13.984915136132 3807810 C1CCC(CC1)(C[N+](=O)[O-])N2N=C3C=CC=CC3=N2 1 3.419 4 2 -0.445572203490217 3807765 C1COCCN1CCN(CC2=CC=CC3=CC=CC=C32)C(=O)N4CCOCC4 1 1.787 3 3 0 -4.74322709963674 3807641 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NCCC(C)C 1 3.308 4 4 0 -11.671885682759 3807606 CC(=NNC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=C(C=C3)N 1 3.533 4 0 0.401187576523499 3807604 CC(=NNC(=O)COC1=C(C=C(C=C1)Cl)Br)CC(=O)NC2=CN=CC=C2 1 2.052 4 3 0 -3.26787103065511 3807572 CC1(CC2=C(C(=NC(=C2CO1)N3CCOCC3)SC)C#N)C 1 2.489 3 2 -13.9909268296952 3807559 C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O 1 0.608 0 11 0 -6.90522850218928 3807550 C1CC(OC1)CNS(=O)(=O)C2=C(C=CC(=C2)Cl)Br 1 2.512 1 3 -7.13252462614378 3807453 CC1CCCN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Cl 1 3.621 2 4 -0.692770418269833 3807441 C1=CC(=CC=C1C(=O)NCCCN2C=CN=C2)OCC(F)(F)F 1 1.833 3 2 0 -7.98271377139919 3807314 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=C(C=CC(=C3)F)OC 1 2.167 5 3 0 -16.9705086653317 3807312 CCN1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=C(C=C3)OC)N)[N+](=O)[O-] 1 2.163 7 3 0 1.15024372645793 3807270 COC(=O)C(C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)Cl)C(=O)OC 1 3.001 1 5 -6.98527459162729 3807245 CCCOC1=C(C=C(C=C1)C(=O)C)CC(C(=O)OCC)C(=O)OCC 1 3.301 0 6 -7.48496429388987 3807181 CC(=NNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=N3)C4=CC=C(C=C4)F 1 3.992 5 0 4.6077548261071 3807074 C1C(OC2=CC=CC=C2O1)CNCCCCC3=CC=CC=C3 1 4.064 1 2 -0.132826746706418 3807071 COC(=O)CC(C1=CC=CC2=CC=CC=C21)NS(=O)(=O)C3=CC=CS3 1 3.003 1 4 -13.0960091479809 3807069 C1=CC=C(C(=C1)CON=CCC(=O)C2=CN=C(S2)C3=CC=C(C=C3)Cl)F 1 4.634 2 2 5.10897228344342 3807056 COC1=CC=CC(=C1)N2C(=O)CC(C2=O)NNC3=NC4=CC=CC=C4S3 1 1.979 4 3 0 -0.853113681638375 3807054 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCNC(=O)C(=O)NCC3=CC=C(C=C3)Cl 1 2.481 4 3 0 -10.4181227397204 3806961 C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=C(O3)C4=CC(=CC=C4)Cl 1 4.402 2 2 -0.587373155036057 3806921 CN(C)C1=CC=C(C=C1)P(=O)(C(C2=CC=CC=C2)O)OC 1 2.631 1 3 -6.28391164006823 3806902 CCCNC1=C2C(=NOC2=NC=N1)C 1 1.407 4 1 0 -1.64234224047223 3806901 CNC(=O)CN(C1=CC(=C(C=C1Cl)Cl)OCCOC)S(=O)(=O)C2=CC=C(C=C2)OC 1 2.748 2 6 0 -15.6196145743672 3806886 CS(=O)CC1=CC(=NC(=N1)C2=CN=CC=C2)SC3=CC=CC=C3 1 2.83 3 1 4.71238398486346 3806879 CC(C)C1=CC=C(C=C1)NC2=C(C(=O)N(C3=CC=CC=C32)C)[N+](=O)[O-] 1 3.484 3 3 -3.43653908449347 3806870 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3 1 4.068 2 2 -3.57260776119863 3806869 CC1=NC=C(C(=N1)C2=CC=C(C=C2)Cl)N=NC3=CC=C(C=C3)F 1 5.193 4 0 14.2450258218388 3806854 C1=CC=C(C(=C1)C2=CSC(=N2)C3=CC=C(C=C3)C(=O)O)Cl 1 4.451 1 2 5.64695193340599 3806842 COC(=O)C1=CC=CC=C1NC(=O)OC2=CC=C(C=C2)F 1 3.231 1 4 -7.96141178920988 3806837 COC1=CC=CC(=C1)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3F 1 2.67 3 3 -9.72996466086335 3806759 C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=C3O 1 2.607 3 4 0 -7.51343587722733 3806678 CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.91 4 4 0 -18.3827051346139 3806642 COC(=O)C(C=NOCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2 1 2.181 3 6 0 -12.3604363642183 3806639 CC1=CC(=CC=C1)C(CC(=O)O)N2C=CC=C2 1 2.957 1 2 -5.05673273356467 3806637 CCOC(=O)NC(=O)C(=CNNC1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)NC(=O)OCC 1 2.235 5 6 0 1.76626328988237 3806635 C1CC2=CC(=O)N(N=C2C3=CC=CC=C31)CC4=CC=CC=C4Cl 1 4.462 2 1 -0.761072493019131 3806615 CC(=NNC(=O)C(=O)NCCO)CC(=O)NC1=CC=C(C=C1)Cl 1 -0.23 4 4 0 -10.4704853068812 3806600 CCCC1=NC2=C(O1)CC(CC2=O)CC(C)SCC 1 3.292 1 2 -5.43804829192096 3806579 CC1(CC2(CC(OC3=C2C=CC(=C3)O)C4=CC=CC=C4)NC(=O)N1)C 1 2.536 2 3 -8.98566223194379e-002 3806575 CC1=CC=C(C=C1)CSCC(=O)NN=CC2=CC(=CC=C2)OC3CSC3 1 4.014 2 2 -10.9422354250367 3806534 CC1=CC=C(C=C1)NC(=O)NC(C(=O)NC)C(C)(C)C 1 2.093 3 2 -10.2284759516224 3806520 C1=COC(=C1)CNC(=S)NCC2=CC(=C(C=C2)Cl)Cl 1 4.335 2 1 -6.63969242681847 3806502 CC(=NNC(=O)C(=O)NC1=C(C=CC(=C1)OC)OC)CC(=O)NC2=NC=C(C=C2)Cl 1 1.241 5 5 0 -9.32030990259102 3806429 CC(CC1=CC=CC=C1)NCCC(=O)NC(C)CC2=CC=CC=C2 1 3.656 2 1 -11.4011258627463 3806371 CCCCNC(=O)NC1(CCCCC1)C#C 1 3.605 2 1 -11.0726244129089 3806335 CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=CC3=CC=CC=N3 1 3.134 3 3 1.83502818531043 3806332 C1=CC=C(C(=C1)NC(=O)CC2C(=O)N=C(S2)NN=CC3=CC=CS3)F 1 3.129 4 2 -12.2779240357958 3806289 CC1=C(C2=CC=CC=C2N1C)C=NNC3=CC=C(C=C3)C(=O)O 1 3.723 3 2 -1.56589055197628 3806269 CC1=CC(=C(C(=O)N1CC(=O)C2=CC=C(C=C2)Br)C#N)C 1 2.685 2 2 -7.67347031192239 3806266 CCCCSC1(C2(C=C(NC(C2(C(=N1)N)C#N)C3=CC=CC=C3)C)C#N)SCCCC 1 5.142 5 0 -4.0932536693792 3806234 C1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)Cl)CC(C(F)(F)F)O 1 3.896 2 2 -3.10338704759989 3806222 CC(=NNC(=O)C1=CC=NC=C1)C23CC4CC(C2)CC(C4)C3 1 2.394 3 1 -3.8647908715381 3806162 C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl 1 3.232 4 4 0 -10.8878741565298 3806160 CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(F)(F)F)N4CSCC4C2=O 1 4.566 2 1 5.0029290448283 3806117 C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=NNC(=N2)N 1 2.861 5 2 0 3.95792198380661 3806094 C1CC(=O)N(C1)CC(CS(=O)(=O)CC2=CC=CC=C2)O 1 0.505 1 4 0 -14.8918925681738 3806090 CC1=CC(=CC=C1)NN=C(C=O)C(=O)C2=CC=C(C=C2)Br 1 4.337 2 2 0.839044392858832 3806060 COC1=CC=CC=C1N2C3CS(=O)(=O)CC3NC2=S 1 2.142 2 3 -9.38874632466314 3806045 CC(C)(C)C(=O)NNC(=O)C1CC1(C2=CC=CC=C2)C3=CC=CC=C3 1 3.369 2 2 -7.08605916391326 3806023 C=CCSC1=NC=CC(=N1)C2=C(SC(=C2)Cl)Cl 1 4.257 2 0 -2.13576400094784 3806020 CCNC(=S)NNC(=O)C1CCN(CC1)CC2=CC=CC=C2 1 2.314 4 1 -4.29610769813494 3806014 CC1=CC2=C(C=C1)NC(=C2NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC 1 3.435 3 5 0 -7.30300169987249 3806009 CC1=CC(=NC(=N1)ON=C(C)C2=C(C=C(C=C2)Cl)Cl)C 1 4.075 3 1 1.72488340551527 3805981 COC1=CC=CC=C1N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C4=CC=C(C=C4)Cl 1 3.117 3 5 0 -6.45674192481702 3805954 CC1(C2(CCC1(C(C2=O)Br)C(=O)N(C)C)C)C 1 1.906 1 2 0 -5.47433613212157 3805935 CC1=CC=CN2C1=NC(=C2C=NOCC3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl 1 5.751 3 1 4.69919849558468 3805868 CCN(CC)CCNCC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O 1 4.461 2 1 1.84169026277561 3805821 CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6 1 3.09 2 3 -8.76107902766311 3805778 CCCCC(C(=O)O)NC(=O)CC1=C(C2=CC3=C(C(=C2OC1=O)C)OC(=C3C)C)C 1 4.372 1 6 0 -11.9280666716767 3805738 CCCCOC(=O)N1CCOCCOCCOCC1 1 0.977 1 5 0 -6.93215512008563 3805723 C1=C(C2=NN=C(N2C=C1C(F)(F)F)C(F)(F)Cl)Cl 1 3.472 3 0 1.76920856313828 3805678 COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NC4=CC=C(C=C4)C(=O)O)OC 1 2.451 3 5 0 -7.8319495937324 3805546 C1CN(CCC1C(=O)N)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3 1 1.35 4 5 0 -12.130068792622 3805518 CC(=NNC1=NC(=CS1)C2=CC=CC=C2)CC3CC(OC3=O)(C)C 1 2.766 3 2 -3.87124865391525 3805448 CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4)C(=O)O 1 2.121 2 6 0 -18.9683562037224 3805447 CC1=C(C2=CC=CC=C2N1C)C=NNC(=O)C3COC4=C(O3)C=C(C=C4)C(C)(C)C 1 4.501 3 3 0.163722441862924 3805426 C1=CC=C2C(=C1)C=CN2CC3=CN=C(C=C3)Cl 1 3.635 2 0 -4.31626377724494 3805407 CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCC4CCCO4 1 4.35 4 1 -14.0141741347966 3805317 CC1=C(C(=NO1)C(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6Cl 1 4.555 3 2 -6.96780960445708 3805270 CC(=NNC(=O)CNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=C(C=C(C=C3)OC)OC 1 3.22 3 4 0 -18.0717933647319 3805150 CC(C)OC1=CC=C(C=C1)C(CC(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3OC 1 5.066 1 4 -13.2305391285573 3805131 COC1=CC=CC(=C1)C(=NO)C2CC2C3=CC=C(C=C3)Cl 1 4.327 1 2 1.81713708745812 3805026 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)Cl 1 4.36 2 5 0 -12.8204104439072 3805012 CN(C)CCCNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N 1 1.255 7 2 0 -1.74248067132462 3805006 CN1C(=NN=N1)N=NC(=NNC2=CC=CC=C2)C3=CC=CC=C3 1 3.782 8 0 0 -6.57275029973033 3804988 COC(=O)CSC1=NC=CC(=N1)C2=CC=CS2 1 2.721 2 2 -10.751522421033 3804919 CC1=C(C(=O)OC2=C1C=CC(=C2C)OC3CCCCC3=O)CC(=O)OC 1 3.551 0 6 -11.7330650911527 3804852 CC(=NNC1=NC(=O)C(S1)CC(=O)NC2=CC=CC=C2OC)C3CCCCC3 1 3.387 4 3 0 -13.8618153697855 3804843 CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CSC=C3 1 0.621 5 0 0 2.25221424749971 3804813 CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5CCCO5)C(=O)N1CC(C)C 1 3.301 5 2 0 -19.4988819324546 3804784 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CCCN5CCOCC5 1 1.714 5 4 0 -24.5399296880831 3804757 CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.28 4 5 0 -2.97036654906454 3804731 CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)N2CCCCCC2)C 1 3.282 4 3 0 -5.57560680950823 3804713 CC1(C(=O)NC2=CC=CC=C2O1)C(=O)NCC3=CC(=C(C=C3)Cl)Cl 1 3.252 2 3 -8.56553734617662 3804703 CCOC(=O)C(CC1=CC=CC=C1)C(=O)C2=CC=CO2 1 3.3 0 4 -4.76745839424803 3804682 CC1=CC(=NC(=N1)SC2C(C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=CC=C5)C 1 4.541 3 2 -6.44334412258612 3804527 C1=CC=C(C(=C1)NN=C(C#N)C(=S)N)[N+](=O)[O-] 1 1.69 5 2 0 -3.09695191158494 3804507 COC1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCCN3CCOCC3 1 1.699 3 4 0 -8.03233885463794 3804504 C1=CC=C(C=C1)N=C(C2=CC=CC=C2Cl)NO 1 3.346 2 1 1.26256993383633 3804448 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)OC(=O)C3=CC(=CC=C3)Br 1 3.696 3 4 0 -13.164927214759 3804419 CCC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SC)CC4=CC=CC=C4)C 1 4.669 2 2 -20.2413689670348 3804410 C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)CC(=O)NCCO 1 1.635 3 3 0 -0.967051196755303 3804194 CC(=O)C1=CC=C(C=C1)NC(=O)C2(CC2(Cl)Cl)C3=CC=CC=C3 1 3.134 1 2 -6.23564721757047 3804160 CC1=NC2=C(C(=NN2C(=C1)NCCCN3C=CN=C3)C)C4=CC=C(C=C4)Cl 1 3.002 6 0 -0.13690932097017 3804142 CC(=NNC(=O)CNC(=O)C1=CC=C(C=C1)Br)C2=CC=CO2 1 1.867 3 3 0 -11.0266405656127 3804136 CCCNC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C 1 4.96 1 2 -13.1893034154258 3804100 C1=CC=C(C(=C1)S(=O)(=O)NCC2=CC=CO2)Br 1 2.254 1 3 -6.92370030586082 3804069 C1CC(=C(C(=O)C1)C2C3=CC=CC=C3CCN2)O 1 1.803 1 2 0 -11.8815048782421 3804058 C1C(OC2=CC=CC=C2O1)C(=O)NCC(=O)NN=CC3=CC=C(C=C3)Br 1 2.264 3 4 0 -8.64672704262904 3804051 CSC1=NC=CC(=N1)NN=CC2=CC=CC=C2 1 2.634 4 0 -0.271262093228701 3803930 C1=CC(=CC(=C1)Cl)C(C#N)C2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F 1 5.875 3 0 2.85999012905776 3803902 C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C(=O)N=C(N3)[N+](=O)[O-] 1 3.308 4 3 0 -5.22098924935769 3803875 CN1C2=C(N=C1SCCOC3=CC4=C(C=C3)C=CC(=O)O4)N(C(=O)N(C2=O)C)C 1 2.685 4 5 0 -15.1029430903666 3803872 CN1C2=C(C(=O)N(C1=O)CCOC)N3CCCN(C3=N2)CCC4=CC=CC=C4 1 1.638 5 3 0 -11.9996047800138 3803861 CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)NCCCO)CC)C 1 2.55 3 2 -5.2555810014602 3803844 CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(C=C(C=C1)OC)[N+](=O)[O-] 1 3.379 4 4 0 -16.7705127986072 3803832 C=CCOC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=S)N2 1 4.933 2 1 -18.5171358164351 3803813 C1=CC=C(C(=C1)CC[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)Br 1 3.729 2 3 -4.38741597031153 3803802 CCOC(=O)NN=C(C)C1=CC=C(C=C1)N2C(=O)C3CCCCC3C2=O 1 2.617 3 4 0 -10.995448285822 3803730 CC(=NOCC=C)C1=CC=C(C=C1)OC2=NC=CN=C2 1 2.091 3 2 -5.62106822795834 3803726 CC1=CC=C(S1)C(=O)C2=CC=CC=C2C(=O)O 1 2.962 0 3 -5.03568110271406 3803697 C1CCN(CC1)C2=C(C=C(C=C2)C=NOC(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-] 1 5.06 3 4 0 1.40135018488349 3803655 C1CCCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.532 3 4 0 -10.5860184994218 3803619 CC1=C(C(=CC=C1)C(C)N2C3=CC=CC=C3N=N2)O 1 3.845 3 1 -0.601819575971917 3803612 CC1=CC(=NC2=C(C(=O)NN12)N=NC3=CC=CC=C3)C 1 1.928 5 1 0 -2.83193699141351 3803562 C1=CC=C(C(=C1)CC(C#N)C2=NC3=CC=CC=C3N2)OC(F)F 1 4.422 3 1 2.57389967866733 3803471 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Cl 1 2.436 5 3 0 -19.5613588217123 3803466 CC1=C(C=C(C=C1)C(=O)NNC(=S)NCC2CCCO2)[N+](=O)[O-] 1 2.159 4 4 0 -17.2420549381958 3803290 CCOC(=O)CSC1=NC(=NC(=C1)CS(=O)(=O)C)C2=CC=CC=N2 1 1.833 3 4 0 -11.4812719545795 3803287 C1=C(C=NC(=C1Cl)CONC(=O)N)C(F)(F)F 1 1.264 3 2 0 4.12654658083115 3803285 COC(=O)C(CC1=CNC2=CC=CC=C21)N3CCS(=O)(=O)CC3 1 1.777 2 4 0 -10.065226945756 3803272 COC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3CCCO3)OC 1 1.23 3 5 0 -18.7221392263661 3803233 C1CCC(CC1)C2=NNC(=S)O2 1 3.005 2 1 -3.38198407891577 3803131 CC1(CC2(N(C(C(=O)O2)CCSC)C(=S)N1)C)C 1 2.326 2 2 -10.0585508062136 3803060 CCOC(=O)C1=CN=C2C(=C1Cl)C=NN2C 1 1.596 3 2 0 -4.62565849933186 3802993 C1CC(OC1)CNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=C(C=C5)F 1 1.401 5 3 0 -24.0183036145034 3802992 CC1CN(CC(O1)C)CC2=CN=C(S2)Cl 1 1.755 2 1 0 -1.13387620033886 3802991 C1=CC(=CC(=C1)NC(=O)N(CC2=CC=C(C=C2)Cl)CC(C(F)(F)F)O)C(F)(F)F 1 4.839 2 2 0.593799923673507 3802910 CCCCCCN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C 1 2.48 5 2 0 -7.32042462088966 3802907 C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC(=CC=C5)Br 1 3.555 2 5 0 -15.4838437183339 3802867 CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3)C#N)N)C 1 3.461 3 4 0 -20.8744555521569 3802801 CCCCN1CNC(=S)N(C1)CCC2=CC=CC=C2 1 4.348 3 0 -6.13396887012885 3802785 CC(C)N1C(=O)N(C(CC1(C)C)(C)O)C2=CC=C(C=C2)Cl 1 3.004 2 2 -1.80298747356772 3802774 CCOC(=O)NN=C(C)C1=CC=C(C=C1)OC2=NC=CC=N2 1 2.294 4 3 0 -8.91768980103474 3802773 COC1=CC2=C(C=C1)NC=C2CCNC(=O)CC3=CC=C(C=C3)Cl 1 3.919 2 2 -8.15908445954953 3802772 CC1=CC=C(N1C2=C(C=CS2)C3=CC4=NC(=CC(=O)N4N3)C)C 1 2.017 4 1 -7.69764026176172 3802762 CC(=NNC(=O)C1=CC=CC=C1O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 3.206 3 3 -5.94834142986791 3802733 CC1(CC2CC(C1)(CN2C=NC3=C(C4=C(S3)C(NC(C4)(C)C)(C)C)C#N)C)C 1 4.113 4 0 -19.3741380828093 3802708 CN1C(=CN=C1SCC2=CC=CC=C2)CO 1 2.063 2 1 -7.33574227257765 3802707 CC1C(=O)N(C2=CC=CC=C2N1C(=O)C3=C(C=CC=C3F)F)CC4=CC=C(C=C4)C(=O)OC 1 4.166 2 4 -9.18703870453873 3802706 C1=CC=NC(=C1)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N 1 2.524 3 1 1.20947874940034 3802705 CN1CC(C(C1)C(=O)C2=CC=C(C=C2)F)C3=CC(=C(C=C3)OC)Cl 1 4.08 1 2 0.70818683252419 3802701 COC1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2 1 1.362 3 2 0 -7.42890303019049 3802695 C1=CC=C(C=C1)CN2C=CC=C(C2=O)C(=O)NC3=CC=NC=C3 1 1.059 3 2 0 -7.67469192179321 3802629 CC(C)CCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3 1 2.858 4 2 -8.88441008962036 3802600 CCN1CCN(CC1)C2=CC(=NC3=C(C(=NN23)C)C4=CC=CC=C4)C(C)(C)C 1 4.74 5 0 -0.285965693893385 3802489 CC1C2=CC(=C(C=C2CCN1S(=O)(=O)C3=CC=CS3)OC)OC 1 2.736 1 4 -16.212057558057 3802472 CN1C(=C(C(=N1)C(F)(F)F)C=NOC(=O)C2=CC=C(C=C2)OC)SCC3=CC=CC=C3Cl 1 6.062 3 3 -1.98394483729757 3802466 CCN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 0.763 3 4 0 -18.21589006366 3802276 COC1=CC=CC(=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CC=C(C=C5)F)C(=O)C2 1 4.216 2 5 0 -34.9923079563702 3802263 C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=NNC3=CC=C(C=C3)[N+](=O)[O-] 1 4.178 3 5 0 0.963010355349935 3802200 C1COCCN1CC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=C(C=C4)Cl 1 3.822 3 1 0.350187472734518 3802196 CC1=CC(=CC=C1)NC(=O)C2=CC(=O)N(C(=O)N2)CC3=CC=CC=C3 1 2.278 3 3 -3.82385407576417 3802184 C1=CC(=CC=C1C2C3=C(NC(=S)NC3=O)OC4=C2C(=O)NC(=S)N4)Br 1 3.354 4 3 0 -8.88076155885669 3822580 COC1=CC=CC(=C1)C(=O)CC(C2=CC=C(C=C2)F)C(=O)O 1 3.098 0 4 -3.74904131256004 3822579 C1C(=O)C2=C(C1(C3=CC=CC=C3)C(=O)O)C=CC=C2F 1 2.734 0 3 -5.09710379082634 3822568 CCOC(=O)CC(C1=CC=C(C=C1)N)N2C(=CC=C2C)C 1 2.59 2 2 -6.50381673966726 3822510 C1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F 1 3.579 2 5 0 -16.3183716351843 3822503 COC(=O)CC1(C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)OC 1 2.205 2 7 0 -8.03923508561654 3822502 CC(C)N1C(=O)N(C(CC1(C)C)(C)O)C2=CC=CC=C2 1 2.34 2 2 -3.88628935929678 3822493 C1CC2=C3C4=C(C(=NC=N4)NCCO)SC3=NC(=C2C1)N5CCOCC5 1 2.371 5 2 0 -5.93655409365967 3822474 CS(=O)(=O)N1CC2CCCN2C3=C1C=C(C=C3)C(F)(F)F 1 2.359 2 2 -0.445964256327647 3822448 C1CCN(C1)C2=C(C(=CC=C2)F)C=O 1 2.418 1 1 1.11015556259493 3822447 CC1=C(SC2=C1C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C(=O)O 1 4.99 1 2 -3.69259308393094 3822419 C1=CC=C2C(=C1)NC(=N2)CN3C4=CC=CC=C4N=N3 1 2.933 5 0 -5.47226241629472 3822367 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCOCCO)CC3CC(=NO3)C4=CC=CC=C4OC 1 0.549 6 6 0 -20.0731474477635 3822304 CC1(CC(CCO1)C(=O)NC2=CC=C(C=C2)OC)C 1 1.873 1 3 0 -6.45836367894606 3822302 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC(=CC=C3)F)C4=CC=C(C=C4)Cl 1 4.557 4 4 0 -11.9460550009618 3802172 CC1=C(C(=C(O1)C)C(=O)O)C(=O)O 1 0.484 0 5 0 -2.1071698945957 3802153 C1=CC=C(C(=C1)C(=O)C2=CNC(=C2)C(=O)C(Cl)(Cl)Cl)Cl 1 4.701 1 2 -2.85237565612274 3802152 CCCCCCCN1C(=NN=C1C2=C(N(N=C2)C)N)C 1 2.31 6 0 -7.11036559509203 3802144 CN1C=C(C=C1C(=O)NN)C(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.664 3 2 1.50329276605996 3802143 CC1=NN(C(=O)N1N(C)C2=C(C=C(C=N2)C(F)(F)F)Cl)CC3=CC=CC=C3 1 4.004 5 1 -0.664128943619659 3802122 CC(=NNC(=O)CNC(=O)C1=CC=CC=C1Cl)CC2=CC=CC=C2 1 2.413 3 2 -14.8285153987232 3822285 C1=CSC(=C1)CNS(=O)(=O)C2=CC=C(S2)Cl 1 2.31 1 2 -2.74289400862554 3822276 CC1=NC2=C(C(=NN2C(=C1)SCC=C)C)C3=CC=CC=C3 1 3.884 3 0 -5.80984005527364 3822272 COC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3C(=O)NCC4CCCO4 1 2.695 3 4 0 -7.26017292083332 3822214 CN1C=C(C(=N1)C(F)(F)F)C2=NN=NN2C3=CC=C(C=C3)OC 1 2.646 6 1 0 -2.71485862588113 3802053 CCC(=O)NC1=NC(=NN1)SCC(=O)OCC 1 1.037 4 3 0 -12.4449973084361 3802036 CC(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3COC4=CC=CC=C4O3 1 3.302 1 5 -11.374874029145 3801974 CC1=CC2=C(N1)C=CC=C2OCC(CN3CCCCC3)O 1 2.797 2 2 -5.34317460833067 3801957 CCSC1=C(C(CC(=O)N1)C2=CC=C(O2)C)C#N 1 1.724 2 2 0 -15.8191532575684 3801864 CC(C)N1C(=O)NC2(C1(N(C(=O)N2C)C)C3=CC=CC=C3)C4=CC=CC=C4 1 3.062 4 2 -7.20926017925835 3801855 CC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CS4 1 4.552 3 3 -10.211301631872 3822209 C1=CC=C(C=C1)CSC2=C(N=NS2)C3=CC=C(C=C3)Cl 1 5.236 2 0 -0.47501107746775 3822186 C1CN(CCN1CCNC(=O)N)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.927 5 1 0 -0.893056586199465 3822185 C1=COC(=C1)CNC2=NC(=C(C(=N2)NC3=CC=C(C=C3)F)[N+](=O)[O-])N 1 2.018 6 3 0 1.73639687460618 3822175 COC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)NNC2=CC=C(C=C2)F 1 3.479 3 3 -7.83472530534018 3822122 CC1=C(C(=O)C=CN1C2=C(C=C(C=N2)C(F)(F)F)Cl)OCC3=CC=C(C=C3)F 1 4.543 2 2 2.20559640767879 3822116 C1CC(=O)N(C1C(=O)NC2=C(C=C(C=C2)Cl)Cl)CC3=CC=CC=C3Cl 1 4.183 2 2 -6.69870839649624 3822112 C1CC2=C(C=C(C(=O)O2)NC(=O)C3=CC=CC=C3)C(=O)C1 1 1.379 1 4 0 -13.5820171695086 3822043 C1CN(CCN1CCNC=C2C(=O)CC(CC2=O)C3=CC=CC=C3)CC4=CC=CC=C4 1 2.674 3 2 -9.04789532706966 3801840 CC1(C2(CCC1(CC2=NO)C(=O)NC3=CC=CC=C3Br)C)C 1 3.396 2 2 -5.80199267338765 3801826 CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=NC=C4 1 1.998 9 3 0 -23.5624069589607 3801816 C1=CC(=C(C=C1C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O)N 1 2.312 1 5 1.60779789018562 3801800 CC1=C(N=C(S1)C2=CC=CC=N2)OC(=O)C3=CC=C(C=C3)Cl 1 4.269 2 2 -3.86016497518916e-002 3801767 CC1=C(C(=NC(=N1)C)NN=CC2=CC=C(C=C2)N(C)C)CC=C 1 2.98 5 0 -7.56851218882063 3801756 CCCN1C2=C(C=CC(=C2)C(F)(F)F)NC1=S 1 4.705 2 0 1.29558617062515 3821970 CN(C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=N4 1 2.29 3 4 0 -10.3988171792788 3821924 COC1=CC=C(C=C1)C2N(CCS2)C(=S)NC3=CC=C(C=C3)F 1 5.452 2 1 -13.1796714945978 3821814 CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3 1 2.145 6 4 0 -0.154669511711237 3821850 CCOC(=O)C1=C(N(N=C1)C2=CC(=NC3=C(C(=NN23)C)C4=CC=CC=C4)C(C)(C)C)N 1 4.08 6 2 0 -7.87272434840973 3801673 CNC(=O)N(C)C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O 1 1.36 2 4 0 -6.91709258286079 3801644 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=CC=N3)C4=CC=C(C=C4)Cl 1 4.816 4 3 0 -15.7995093030211 3801458 C1=C(C=C(C(=C1[N+](=O)[O-])N)C(=O)NN2C=NN=C2)[N+](=O)[O-] 1 -0.725 7 5 0 -6.73997208691389 3801445 C1CN2C(N(C(=O)N2C1)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl 1 3.883 3 1 -0.742730296063276 3801373 C1CCC2=NC3=CC=CC=C3C(=C2C1)NC(=O)C4=CC=CC=C4Br 1 5.069 2 1 -0.192740886615103 3801296 CC1=CC(=NN1C2=NC3=CC=CC=C3C(=O)N2OCC=C)C 1 2.812 4 2 -11.6950364768568 3801214 CC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3CCCO3 1 1.892 6 3 0 -2.80244770369075 3801151 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)C3=NC=CC=N3 1 2.169 3 2 -2.11815233101943 3801131 CC1(CC2=C3C4=C(C(=NC=N4)NCCN)SC3=NC(=C2CO1)N5CCCC5)C 1 2.259 6 1 0 -11.8644714276375 3801104 CC(C(=O)NCC1CCC(CC1)C(=O)O)OC2=C(C=C3C4=C(CCCC4)C(=O)OC3=C2)Cl 1 4.898 1 6 0 -24.5941072986807 3801066 C1=CC=C(C=C1)C2=C(C=NN2C3=CC=CC=C3)C(=O)O 1 3.496 2 2 -1.21062231208105e-002 3800987 CN(C)C1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N 1 1.26 6 2 0 -4.22378333078081 3800911 C1CC(=O)C(C(=O)C1)C2C3=CC=CC=C3CCN2C(=O)CCl 1 1.841 1 3 0 -10.3554861856789 3800910 CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC=NNC(=O)C3=CC=CC=C3 1 1.276 6 3 0 -12.2155145799723 3800865 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)C(=O)NCCC5=CC=C(C=C5)OC 1 1.947 5 4 0 -28.093251614813 3800859 C1=CC(=CN=C1)CNC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl 1 3.642 3 1 -8.376537111776 3800837 CCCSC1=NC(=C2CSC(CC2=C1C#N)(C)C)N3CCOCC3 1 4.106 3 1 -13.0459338192546 3800810 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CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CN=CC=C2)O 1 1.83 2 3 0 -9.84960879027092 3797618 CC(C)C1=C2CCCCC2=C(C(=N1)NCCO)C#N 1 2.819 3 1 -1.56956980666962 3797591 C1=CC=C2C(=C1)N(C(=S)S2)CCC3=CC=NC=C3 1 4.377 2 0 1.25031708607403 3797564 CC1(CC(CCO1)C(=S)N)C 1 0.974 1 1 0 -7.2887574067558 3797563 CCN(CC)C(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C(=O)O 1 2.109 2 3 -5.83567986610268 3797296 CC1=C(C(=C(C=C1)S(=O)(=O)N)C)NC(=O)C 1 0.627 2 3 0 -8.77718779768624 3797260 CC1=NC2=C(C(=NN2C(=C1)NCCC3=CC(=C(C=C3)OC)OC)C)C4=CC=CC=C4 1 4.406 4 2 -8.01364114495973 3797218 C1CN(CCN1)C2=C(C=C(C=C2)C(=O)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-] 1 2.773 4 3 0 -8.72285277882877 3797197 CC1=NC2=C(C(=NN2C(=C1)SCC(=O)NC3=CC=C(C=C3)O)C)C4=CC=CC=C4 1 3.661 4 2 -7.53388288439147 3797174 C1=CC=C(C=C1)C2=CC(=NC3=NC(=NN23)NC(=O)CCC(=O)O)C4=CC=CC=C4 1 3.621 5 3 0 -9.72878529999001 3797105 C1CC1C2=NN(C=C2)CC3=CC=C(C=C3)Cl 1 3.768 2 0 -3.82242431449866 3797106 CC1=C(C(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)O 1 3.417 2 4 -3.01133965447856 3797114 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C)F 1 3.064 2 2 -4.20304554454869 3797152 CCOC(=O)C(C(F)(F)F)(NC(=O)NCC1=CC=CC=C1)OCC 1 2.625 2 4 -9.69572492490343 3797150 CN1C(=C(SC1=S)C(=O)NC2=CC3=CC=CC=C3C=C2)N 1 3.129 3 1 -3.12452132298108 3797137 CC1(CC(=C(C(=O)C1)C2C3=CC=CC=C3CCN2)O)C 1 2.261 1 2 -12.8982223389052 3797068 C1C(CN(C1C(=O)OCC(=O)C2=CC=C(C=C2)Br)C(=O)OC3=CC=CC=C3)O 1 3.016 1 6 0 -7.4879697981243 3797035 C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl)N(C3=CC=CC=C3)O 1 3.841 2 3 -1.53908885695474 3796941 C1C(N(N=C1C2=CC=CC=C2)C(C#N)C3=CC=CC=C3O)C4=CC=CC=C4 1 4.298 3 1 1.62849885630902 3796895 CCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SC)C 1 3.677 2 1 -10.244156661785 3796867 CC1=CC2=C(C=C1)N(C(=O)C23N(N=C(S3)NC(=O)C)C(=O)C)CC(C)C 1 2.478 4 3 0 -11.9958221492537 3796763 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4F 1 4.562 3 2 -7.48667681134153 3796717 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)F)CCCN3C=CN=C3)O 1 0.721 3 3 0 -13.6680889857223 3796640 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NNN=N3 1 2.909 5 0 -1.50039194867273 3796634 COC1=CC=CC=C1C2=NC(=C(O2)NCCCN3C=CN=C3)C#N 1 1.68 5 2 0 -0.344866952324774 3796606 C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CS5 1 3.048 3 4 0 0.741031906653265 3796605 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=NC=CS5 1 0.816 2 2 0 -3.93193356965625 3796515 COC(=O)CC1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)Br 1 3.355 1 4 -9.33264791166495 3796482 CC1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-] 1 2.231 6 3 0 -1.87454468772883 3796475 CCNC(=S)NNC(=O)C1=CC2=C(C=C1)N=CC=C2 1 1.954 4 1 0 -7.47187416924969 3796474 C1C=CCC2C1C(=O)N(C2=O)N3C=NN=C3 1 -0.371 4 2 0 -1.47792860144367 3796453 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)NC(=O)NC2=CC=C(C=C2)Cl 1 4.41 4 1 1.22965330043739 3796451 CC1=CC(=C(C(=O)N1CC#C)S(=O)(=O)C2=CC=CC=C2)C 1 2.841 1 3 -12.5675455797185 3796447 CN(C)C=NC1=CC2=NN(N=C2C=C1)C3=CC=CC=C3 1 2.68 5 0 3.74240980052731 3796430 CS(=O)(=O)CCC(C(=O)OCC(=O)C1=CC=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C2=O 1 2.285 1 7 0 -17.8566509851068 3796378 COC(=O)C1CSC(N1C(=O)NC2=CC=C(C=C2)Cl)C(=O)OC 1 2.217 2 5 0 -6.09875946609596 3796376 COC(=O)CC(C1=CC2=C(C=C1)OCO2)NC(=S)NCC=C 1 2.61 2 4 -15.5729444696922 3796366 CC1=CC2=C(S1)N=C(OC2=O)C3=CC=CC=C3Br 1 3.821 1 2 -3.45547898094098 3796280 CC(C)OP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CN=CC=C2)O 1 2.207 2 3 -9.7542312557839 3796273 C1C(NC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=CC=C4Cl 1 5.426 2 0 -0.173988141643097 3796256 CN1C(=C(C(=N1)C(F)(F)F)C=NOCC2=C(C=CC=C2Cl)Cl)Cl 1 5.087 3 1 4.03401171352403 3796244 CC(=O)N1CC2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=CC=C31 1 2.364 2 4 -4.65787962850548 3796206 CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)Cl 1 -0.113 3 3 0 -10.0340292478027 3796181 CCN1C2C(NC(=S)N2)N(C1=O)CC 1 0.992 4 1 0 -7.63494087639002 3796132 CC1=CC=C(C=C1)S(=O)(=O)N2CC3CC3C2C(=O)O 1 1.321 1 4 0 -10.683467233644 3796131 CC(=O)OC1C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3 1 2.62 1 3 -7.96134856804816 3796126 CN1CCN(CC1)C2=C(C(=NN2C)C(F)(F)F)C#N 1 1.973 5 0 0 0.901547193408718 3796108 C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)CCl 1 0.675 3 3 0 -6.59604227361128 3795985 CC1(CC(CCO1)C(CC2=CC=CC=C2)CC(=O)N3CCCC3)C 1 3.421 1 2 -8.20761728036385 3795919 C1=CC=C(C=C1)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N 1 3.246 2 1 0.135970009011233 3795905 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NCC=C 1 2.609 2 1 -8.43264799462162 3795884 COC1=C(C=C(C=C1)C=NNC2=CC=CC=N2)O 1 2.578 3 2 5.79328772063247 3795850 CCCCC(CC(COCC(C)C)O)C(=O)NNC(=S)NC1=CC=CC=C1 1 4.428 3 3 -11.6548108026503 3795809 CC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)N3C=CC=C3 1 4.292 2 1 -5.91324476357472 3795763 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=CC=N3 1 1.965 4 3 0 -11.3030846725188 3795669 CC(=NNC(=O)C1=CC=NC=C1)CC(=O)NCCN2CCOCC2 1 -0.946 5 3 0 -15.7840082909964 3795610 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(SCC3=O)C4=CC=CO4 1 1.732 3 3 0 -21.2770007138821 3795570 C1=CC=C(C(=C1)C(=O)NN=C(CC(=O)C2=CC=CS2)C(F)(F)F)Br 1 4.364 2 2 -7.1556194065851 3795566 C1CN(CCN1C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3)C(=O)C4=CC=CO4 1 2.888 3 4 0 -5.86401746174957 3795563 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)C4=CC=CO4 1 3.801 3 3 -4.5920117182008 3795475 C1=CC=C2C(=C1)C(=CN2)C(CN)C3=CC=CC=C3Cl 1 3.566 2 0 -0.571556679514 3795474 CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)O 1 2.408 1 5 -4.28100279369135 3795446 CC1=NNC(=O)C1CC(=O)NN=CC2=C(C=CC(=C2)OC)OC 1 0.172 4 4 0 -16.933011851671 3795436 CC1C(NC(C(C1=O)C)C2=CC=CC=C2C)C3=CC=CC=C3C 1 4.67 1 1 -2.99021215636241 3795408 COC1=CC=C(C=C1)CNC(=O)C2=C(N(C(=S)S2)C3=CC=C(C=C3)OC)N 1 3.867 3 3 -8.72440836134687 3795359 CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NNC4=S 1 5.061 4 1 -9.17762258178084 3795341 CC1=CC(=CC=C1)CC2C(=O)N=C(S2)NC3=CC=CC(=N3)C 1 4.079 3 1 -3.71359928228709 3795316 CC1=CC(=C2C(=C1)C(=CN2)CCNC(=O)C3=CC=CO3)Br 1 3.866 2 2 -6.61049268473257 3795291 CN1C(=CN=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)Cl 1 3.236 2 1 1.32242847383464 3795260 CC1CCCC(=O)CCCCCC2=CC(=CC(=C2C(=O)O1)OC)OC 1 4.331 0 5 -6.10566329027211 3795197 CC1(C(N(C(=S)S1)N=CC2=C(C=CC=C2Cl)F)N(C(=O)NC)O)C 1 4.12 4 2 -7.29441426977936 3795157 CC1=CC=C(C=C1)C2=C(SC(=N2)NN=CC3=CC=CC=C3)NC(=O)C 1 3.486 4 1 -0.353195628013061 3795136 C1CCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=CC=CC=C3 1 2.182 2 2 -8.27932262697137 3795125 CN(C)C=NC1=NC=C(S1)C(=O)C2=CC=C(C=C2)OC 1 2.014 3 2 2.49764770785673e-002 3795124 C=CCNC(=O)CN1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35 1 1.899 2 3 0 -18.3707154816796 3795060 C1CC1C(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 0.859 3 4 0 -13.5054546568071 3795020 CC(C)COP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)N(C)C)O 1 3.985 2 3 -7.46716412139597 3795010 CC1=C(C=CC(=C1)OCC(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3)Cl 1 3.061 1 4 -15.1758924814561 3794983 C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.285 3 5 0 -5.66086385790742 3794949 C1CC(=O)N(C1)C2=CC=C(C=C2)CN3C(=O)CC(C3=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6 1 3.757 4 3 0 -11.9246257049096 3794855 CC1=C(C=C(C(=C1)C2(C3=C(C=C(C=C3)Br)NC2=O)O)O)C 1 3.192 1 3 -9.79504911330488e-002 3794850 CC1CN(CCN1C(=S)NC2CC3CCC2C3)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F 1 4.807 4 4 0 -9.24483014133602 3794839 COC1=CC=C(C=C1)C2CC(=O)C(=CNCCN3CCN(CC3)C(=S)NC4=CC=CC=C4)C(=O)C2 1 3.802 4 3 0 -20.5100471497435 3794836 CC(C)NC(=O)NC1(CCCCC1)C#C 1 3.002 2 1 -10.6554309359934 3794832 C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)NC(=O)C4=CC=CC=C4Cl 1 4.971 1 2 -4.48515993473736 3794829 CC(C)(CCl)C(=O)NCC1=C(N(N=C1C(F)(F)F)C)N2CCOCC2 1 2.612 4 2 -7.12353910313802 3794817 CC1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)C 1 3.486 1 2 -5.59535349441963 3794816 CC(CS(=O)(=O)C1=CC=CC=C1)(C(=O)NC2=CC=CC(=C2)C(F)(F)F)O 1 2.842 1 4 -6.65634883372694 3794812 COC1=CC=CC(=C1)CN2C(=O)C3=CC=CC=C3SC2=O 1 3.543 1 3 -0.183370386890388 3794793 COC1=CC=CC=C1N2C3C(C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=CC=C4OC 1 2.436 3 6 0 -8.22199139908 3794723 CN1C(C(CO1)S(=O)(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)OC)OC 1 3.932 1 6 0 -9.35768304245639 3794633 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C3=C(C=C2CCN(C)C(=O)C)OCO3)OC 1 2.278 3 6 0 -2.68818740073236 3794615 CCCCC1=C2CCCCC2=C(C(=N1)Cl)C#N 1 4.807 2 0 -3.83866327382665 3794582 CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C 1 1.909 6 2 0 -11.353439445478 3794572 C1CC=CC(C1)C2C(=C(OC3=NNC(=C23)C4=CC=CS4)N)C#N 1 3.836 4 1 -5.71815295197283 3794569 COC1=CC=C(C=C1)C2CC(=NN2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.102 2 3 -7.8126874434754 3794539 CN1CCN(CC1)C2=NC3=CC=CC=C3O2 1 1.396 3 1 0 -1.63089395767104 3794537 CC1=NN(C(=C1C#N)OC2=CC=CC(=C2)C(F)(F)F)C 1 3.268 3 1 2.16032156680191 3794495 CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3 1 2.298 6 3 0 3.20751242747787 3794468 C1C(C(=O)N(C1=O)CC2=CC=CC=C2)NC3=CC4=CC=CC=C4C=C3 1 3.25 2 2 -5.45188013429698 3794421 C1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC=CC=C2Cl)O 1 3.141 0 4 -9.19269388136234 3794420 CC1=CC=C(C=C1)C(=O)ON=CC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 3.374 3 5 0 -2.41110359272964 3794418 C1CN(CCN1CC(=O)N2CC(CO2)O)C3=CC=CC=N3 1 -0.243 4 3 0 -0.934372036983843 3794344 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CCN(CC2)CC3=CC=CC=C3 1 2.606 3 3 -3.2064360513789 3794332 COC1=CC(=CC=C1)OCC2=C(C=CC(=C2)C=NNC3=CC=C(C=C3)C(=O)O)OC 1 4.612 2 5 0 -5.38662021226526 3794252 C1=CC=C2C(=C1)C=CC=C2OCC(=O)NN=CC3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O 1 4.624 2 5 0 -4.96655137494373 3794220 CC(CNCC1CCCO1)COC2=CC=CC3=CC=CC=C32 1 3.194 1 2 -4.95983397177995 3794206 CN(C)S(=O)(=O)OC1=C(SC=C1)C(=O)NC2=CC=C(C=C2)OC 1 1.701 2 5 0 -9.75156960703672 3794169 C1CCN(C(C1)C2=CN=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)F 1 4.031 3 1 -5.37006639630792 3794166 C1=CC=C(C=C1)C2=CC3=C(O2)N=CN=C3OC4=CC=C(C=C4)Cl 1 5.127 2 2 10.0882795958235 3794165 C1=CC(=CC(=C1)Cl)C=NNC2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F 1 5.559 4 0 4.65324854505559 3794164 C1=CC=C(C(=C1)CNC2=CC=CC=C2[N+](=O)[O-])Cl 1 3.781 2 2 -2.78361920088464 3794158 CC1=C(SC(=C1C(=O)OC)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C 1 3.414 2 4 -16.6247972524011 3794140 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 3.893 2 3 -12.0780505005503 3794081 CCCNC(=O)C1=NN(C(=N1)C)C2=C(C=CC(=C2)Cl)Cl 1 3.144 4 1 -5.75535107160492 3794060 CN1C(N2C3=CC=CC=C3N=C2C4=CC=CC=C41)C5=CC=CS5 1 5.199 3 0 -0.828136830149782 3794027 C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Br)C(=O)C3=CC=CO3 1 2.478 1 4 -11.630898832305 3793991 CN1C2=C(C(NC3=CC=CC=C3O2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N(C1=O)C 1 2.67 4 5 0 -18.5807403291198 3793971 CCCCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C 1 5.225 6 2 0 0.214077008512848 3793964 C1COCCN1CCCN2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)Cl 1 3.534 2 5 0 -12.7269470438873 3793855 C1C(CN1C(=O)C2=CC(=CC=C2)Br)C(=O)O 1 1.451 1 3 0 -6.26338955936923 3793832 CN1CCC2(CC1)C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3 1 -1.424 3 2 0 -2.97035598990705 3793821 CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=NOC 1 4.194 2 3 2.97638916157125 3793812 C1CCN(C(C1)C2=CN=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br 1 3.681 4 1 -4.57308515119998 3793802 C1CC2(C(CN=N2)C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C41 1 5.041 2 1 3.05461342218343 3793774 C1CC(OC1)CNC2=NC(=C(C(=N2)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])N 1 2.07 6 3 0 -0.980449013103935 3793755 CC(CC1=CC(=C(C=C1)OC)OC)N2CCN(CC2)C3=CC=CC=C3OC 1 4.182 2 3 -0.721980320822222 3793733 CN1C(=O)C(=CC2=COC3=CC=CC=C3C2=O)C(=O)N(C1=O)C 1 0.794 2 5 0 -5.00358914295969 3793688 CC(C)C(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)F 1 4.403 1 1 -6.02503337726014 3793686 CCCC(=O)C1=CNC(=C1)C(=O)NCC2=CC=CO2 1 2.051 2 3 -10.7701153398925 3793602 C1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=CC(=C3)Cl)C(=O)O 1 3.404 1 3 2.15163852958921 3793571 COC1=CC=C(C=C1)N2C(=O)CSC(C2=O)C3=CC=CC=C3 1 2.81 1 3 -5.00393071441996 3793563 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCSC4=NC5=CC=CC=C5N4 1 1.713 7 3 0 -9.77632383554288 3793539 CC1=CC=C(C=C1)NN=C(C(=O)C2=CC=CC=C2)SC3=NN=NN3C4=CC=CC=C4 1 5.48 6 1 0 -11.8849095689559 3793437 CC1=CC(=C2C(=C1)C(=C3C(=O)N4CN(CN=C4S3)C5=CC=CC=C5)C(=O)N2)C 1 3.89 4 2 -14.5452335000825 3793334 CCCCCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC=C3OC)O 1 4.049 3 3 -8.15938735673518 3793299 CC1=CC(=NC(=C1C#N)C)N 1 1.119 3 0 0 -4.12416695808634 3793234 CCN1C2=CC=CC=C2SC1=C3C(=O)N(C(=C4C(=NNC4=O)C)S3)CC=C 1 2.97 4 2 -11.0949053687695 3793188 CCN1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=CC(=C3)C)N)[N+](=O)[O-] 1 2.665 7 2 0 3.84359674046379 3793088 C1COCCN1CC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 -0.205 4 5 0 -12.5659772831954 3793020 CC1(CC2(CC(C3=C(O2)C=C(C=C3)O)C4=CC(=CC=C4)OC)NC(=S)N1)C 1 4.422 2 3 0.157269054969122 3793002 CC1=C2CC(OC2=C(C=C1)NS(=O)(=O)C3=CC=CC=C3Cl)(C)C 1 4.109 1 3 -9.33939782779482 3793001 CC(=O)N(CC1=CC=C(C=C1)F)C2=C(C(=O)C3=CC=CC=C3C2=O)NCC4=CC=CC=C4 1 3.396 2 3 0.238368891608692 3792953 CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC)C4=C(NNC4=O)C 1 1.119 5 7 0 -19.4451497452605 3792930 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CC5=CC=NC=C5 1 2.258 5 3 0 -20.2496307990755 3792896 C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)O 1 2.361 2 6 0 -9.61490271973981 3792871 CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.654 4 3 0 -8.34068773174175 3792865 COC1=CC=C(C=C1)CC2=C(N=CNC2=O)O 1 1.531 2 3 0 -5.26275088521215 3792851 COC1=CC=C(C=C1)C2=CN=CN2 1 1.51 2 1 0 5.01516685867505 3792846 CSC1=NN=C(O1)CC2=C(N=C(S2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.866 3 1 -2.18599480056399 3792843 CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC 1 2.333 2 1 -2.55441833159137 3792813 C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)OC1 1 0.897 1 6 0 -18.2821516225809 3792810 C1CC1NC(=O)NC2=CC=CC=C2F 1 1.641 2 1 0 -9.05059119239591 3792807 CCC1(CC2=CC=CC=C2C3=C1C(=O)OC(=N3)C4=CC=CC=C4)C 1 4.788 1 2 -6.92030420589113 3792760 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCC(C3)CN)CC4=C(C=C(C=C4)Cl)Cl 1 3.683 6 2 0 -14.6570443691862 3792687 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)N)N3CCCCC3 1 2.634 3 3 0.835752292870822 3792618 CC(C)N=C(C1=CN=CC=C1)NC2=CC=C(C=C2)Cl 1 3.115 3 0 -1.1855080638051 3792610 CC1=CC(=CC(=C1)S(=O)(=O)C2=NC3=CC=CC=C3N=C2)C 1 3.908 2 2 -1.37409402647438 3792578 C1C(=O)N(C(=S)S1)NC(=O)COC2=CC=C(C=C2)F 1 2.024 2 3 -8.7514216496885 3792557 COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 4.633 2 5 0 -13.821211753274 3792554 CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)NC3CCCCCC3 1 3.121 4 1 -6.88177354365111 3792553 COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=CS3)C4=CC=C(C=C4)C5=CC=CC=C5)OC 1 5.053 2 4 -2.38208677113106 3792514 CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC=NC=C4 1 1.979 9 3 0 -27.6384423602052 3792463 CC1CCCCC1NC2=NCCS2 1 2.831 2 0 -11.728457534835 3792453 CC(C)C1CC2=C(CO1)C=C(C(=N2)Cl)C#N 1 2.673 2 1 -2.71951727353911 3792428 C1=CC(=CC=C1C(=O)O)NN=CC2=CC3=NC=CN=C3C=C2 1 2.542 4 2 -0.70889445459549 3792423 CC(C1=CC=CC=C1)NC(=O)C(=O)NCC2=CC=CS2 1 2.012 2 2 -14.4872759948394 3792170 C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4 1 1.601 2 5 0 -21.5663739812384 3792154 CC(C)CC(=O)C1=CNC(=C1)C(=O)NCC2=CC=CC=C2 1 3.121 2 2 -7.56764829859947 3792153 C1OC2=C(O1)C=C(C=C2)NC(=O)NCCCN3C=CN=C3 1 0.518 4 3 0 -8.07032745624022 3792107 C1=CC=C(C=C1)C2=NC=C(C(=N2)C(F)(F)F)C(=O)O 1 2.671 2 2 3.40681917463733 3792093 CN(CCO)C1=NC=NC2=C1SC3=NC(=C4CCCC4=C23)N5CCOCC5 1 2.577 5 2 0 -6.11492807072473 3792008 COC1=CN=C(N=C1OC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=N3 1 3.974 3 2 10.2309945576707 3792007 COC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)N3C=CC=N3 1 2.213 4 2 -4.29362280729086 3791937 CCC(C(=O)NC(C)C1=CC=CC=C1)C(=O)NC(C)C2=CC=CC=C2 1 3.603 2 2 -8.0340417899377 3791922 COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)O 1 0.834 4 5 0 -17.4444495165971 3791921 COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NN 1 -0.286 6 4 0 -15.3373254199345 3791920 CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)O 1 1.313 4 4 0 -13.2742961137105 3791918 C1=CC(=C(C=C1Cl)C2=NC(=S)NN2)Cl 1 3.224 3 0 1.91654353180163 3791906 COC1=CC=CC=C1CNCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.456 3 5 0 -19.3367427575617 3791898 COC1=CC=C(C=C1)C2CC2C(=NOC(=O)C3=CC=CS3)C4=CC=CC=C4 1 5.103 1 3 -4.45856933056286 3791892 CC1(CC2=C(CO1)SC3=C2C(=O)N(N=N3)CC4=C(C=C(C=C4)Cl)Cl)C 1 5.07 3 2 -20.473724059958 3791836 CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)[N+](=O)[O-] 1 2.689 3 6 0 -16.4748364410266 3791835 CC1=C(SN=N1)NC(=O)OCCCl 1 1.21 3 2 0 -9.91580947957782 3791827 CC(=NNC(=O)C1COC2=CC=CC=C2O1)C3=CC=C(S3)Br 1 2.958 2 3 -4.85741407461465 3791785 CC1=CC=C(S1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=CC=C4 1 3.309 8 2 0 -22.137551104384 3791787 CC1(C(C1C(=O)N(CC2=CC=CC=C2Cl)C3CCS(=O)(=O)C3)C=C(Cl)Cl)C 1 3.609 1 3 -12.9988131012827 3791826 CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)N3C(=CC(=N3)C)C)Cl 1 2.754 3 2 -6.76480531016399 3791815 COCCN1C=CC(=O)C(=C1O)CC2=CC=CC=C2 1 2.128 1 3 -5.51323499222162 3791803 CC1(CCS(=O)(=O)C1)NC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O 1 0.311 3 6 0 -8.33483763437789 3791765 COC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=O)N2NC(=O)C3=CC=NC=C3)C4=CC(=C(C=C4)Cl)Cl 1 2.843 5 5 0 -9.07476402312835 3791654 COC1=C(C=C(C=C1)C=NNC2=C(C=C(C=C2Cl)Cl)Cl)CN3CCOCC3 1 5.186 3 2 0.22869013195531 3791652 C1CC(C(=O)NC1)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 0.809 4 4 0 -18.2065742291021 3791643 CC1=CC2=C(C=C1)OC(=O)CC2C3=CC=CC=C3 1 3.693 0 2 -1.21240555232365 3791616 CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OC 1 0.545 2 5 0 -26.4901582441 3791559 CC1=CC(=C(C(=C1)C)OCC(=O)N(CC2=CC=C(C=C2)N(C)C)C3CCS(=O)(=O)C3)C 1 3.791 2 4 -17.3531151419899 3791556 COC1=C(C(=CC=C1)OC)C(=O)NC2=NN(C(=N2)N)C3=CC=CC=C3 1 2.44 5 3 0 -4.17528838414791 3791543 C1=C(C=NC(=C1Cl)C2=CNC3=C(C(=C(C=C3C2=O)F)F)F)C(F)(F)F 1 4.192 2 1 4.49751595524084 3791523 CCOC(=O)CN1C(=O)C2=C(N=C3N2CCCN3CC4=CC=CC=C4)N(C1=O)C 1 1.504 5 4 0 -14.3580768716257 3791476 CC1(C2(C1(C3(N=C2N)OCCO3)C#N)C#N)C 1 6.4e-002 4 2 0 -3.41747683560678 3791406 CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCCO)C#N 1 3.484 4 1 -7.71549984499242 3791399 CC1=CC(=C(C=C1)OCCN2C=CC=N2)C 1 3.084 2 1 -1.12104897493963 3791373 C1=CC=C2C(=C1)C=CC=C2OCC3=CC=C(O3)C(=O)NN 1 2.288 2 3 -4.3787946393865 3791336 CC1=CC(=NN1C2=NC(=C3C4=C(CCCC4)SC3=N2)NCCCN(C)C)C 1 4.219 6 0 -7.37757138550684 3791279 CC(C(C)(C)C)NC(=O)NC1=CC=C(C=C1)Br 1 3.537 2 1 -8.19564860384472 3791257 CNC1=C(C=NN1C2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.089 4 2 -2.55931086755566 3791255 CC1=NOC(=C1C#N)NC(=O)C2=CC=CC=C2 1 1.354 3 2 0 -10.3322076913085 3791243 C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)NC4=CC=CC=C4 1 1.03 3 2 0 -7.35819102654456 3791197 C1C(C2=C(C=C(C=C2OC1=O)O)O)C3=CC=CC=C3 1 2.723 0 4 1.38014446018507 3791194 C1CCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F 1 2.387 2 2 -6.77179803399677 3791169 CC(=O)N1C(CC(=NOS(=O)(=O)C2=CC=CC=C2)CC1(C)C)(C)C 1 1.92 2 4 0 -4.08570596621992 3791146 C1=CC(=C(C=C1Cl)Cl)C(=O)OC(CC#N)CNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 5.474 3 2 4.85310266417612 3791119 CC1CN(CC(O1)C)CC(=O)C2=C(NC3=CC=CC=C32)C 1 2.457 2 2 -4.57509345733606 3791087 C1CCC(CC1)N2C3=CC=CC=C3C4=C(C2=O)C(=O)C=C(O4)O 1 2.969 1 4 -3.13791473508218 3791076 COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CN=CC=C3)C4=CC=C(C=C4)Br 1 3.997 3 2 -8.42838028347263 3791075 CC1=CC(=CC(=C1)CC2CC(=O)N(C2=O)CC3=CC(=C(C=C3)OC)OC)C 1 3.887 1 4 -8.31792074948749 3791031 CC(=O)NNC(=O)CCN1C2=C(CCCC2)C3=CC=CC=C31 1 2.189 3 2 -7.85647366032218 3791012 CCCCN1C(=C(C(=N1)C)C(=O)O)Cl 1 2.18 2 2 -7.6563016666018 3791011 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCl 1 0.694 3 3 0 -12.6339723944457 3791009 C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3Cl)C(=O)O 1 3.183 1 3 -7.80488572182655 3791000 CC(=NNC(=O)CNC(=O)CC1=CC=C(C=C1)Cl)C2=CC=CO2 1 1.818 3 3 0 -9.59499708425802 3790994 C1COCCN1C(C#N)(C2=CC=CC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.888 3 1 1.32114350356237 3790972 C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Br)C(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.813 2 6 0 -16.5980627031348 3790954 CCOC(=O)C1C(N=C(NC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC 1 2.793 2 4 -8.40329445886345 3790826 COC1=C(C=C(C=C1)C2=CSC(=N2)NC3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)OC 1 3.502 2 6 0 -6.68907810206008 3790823 COC(=O)CN1C(C(=O)N(C1=S)C2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)F 1 3.389 3 4 0 -17.3522582119411 3790821 CCC1CCCCN1CC(=O)C2=C(NC3=C2C=C(C=C3)OC)C 1 3.816 2 2 -1.3724426242819 3790814 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)CCCCCCCCC=C)F)C(=O)O 1 5.015 3 4 0 -9.93794709365927 3790779 CC1=CC=C(C=C1)S(=O)(=O)NCCC2(CCOC(C2)C(C)C)C3=CC=CC=C3OC 1 4.477 1 4 -10.425219051677 3790705 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=C(C=C3)OCC4=CC=CC=C4 1 3.848 8 3 0 -22.8711074447549 3790687 COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-])OC 1 3.429 3 6 0 -5.99815858434872 3790685 CCOC(=O)C1=NNC(C1C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 3.499 2 3 -4.80413378975643 3790683 CC(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCC3 1 1.952 2 2 0 1.02737070420788 3790682 CC1=NC(=O)C=C(N1)CN2CCC(CC2)C3=CC=CC=C3 1 1.757 3 1 0 -0.48661266308354 3790675 CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCC2=CN=CC=C2 1 2.637 3 2 -9.03917535669908 3790669 COC(=O)CN1C(C(=O)N(C1=S)C2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)Cl 1 3.643 3 4 0 -15.6771207997442 3790623 C1CC2=NC3=C(C=C2C(=O)C1)C(OC4=CC=CC=C43)O 1 2.552 1 3 -1.53297186002153 3790588 CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=CC=C(C=C3)OC)C(=O)C1)C 1 1.689 4 2 0 -20.5380222214217 3790411 C1=CC(=CC=C1CSC2=NSC(=N2)SCC3=CC=C(C=C3)F)F 1 5.882 2 0 -5.6253592924574 3790387 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC)N 1 1.23 2 3 0 -12.6572543370014 3790338 CC(C)SC1=NC(=C2CN(C(CC2=C1C#N)(C)C)C)N3CCOCC3 1 3.485 4 1 -8.58075416589442 3790327 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC=NNC(=O)C4=C(C=CC(=C4)Br)O 1 1.799 7 4 0 -3.71038960798244 3790298 CC(=NNC(=O)CNC(=O)CC1=CC=C(C=C1)OC)C2=CC=CO2 1 1.137 3 4 0 -11.829961983989 3790288 C1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=O)O)C(F)(F)F 1 3.022 1 4 -1.96519307709426 3790241 CC(=NNC(=O)C1=CC=CC=C1N)CC(=O)NC2=CC3=C(C=C2)OCO3 1 0.976 4 4 0 -10.7394711062703 3790183 CCCCCC(=O)NC1=CC=C(C=C1)C2=CN3C=CC=NC3=N2 1 3.288 4 1 -7.8439343319201 3790182 CC1=NOC2=C1C(=NC=N2)OC3=CC=CC=C3 1 2.286 3 2 1.44360195167361 3790145 C1=CC=C(C=C1)C(=O)C(=NNC2=CC=CC=C2)SC3=NN=NN3C4=CC=CC=C4 1 4.994 6 1 0 -12.3345951693775 3790120 CN1C2=C(N=C1NN=CC3=CC=CS3)N(C(=O)N(C2=O)C)C 1 1.376 6 2 0 -11.9932460528333 3790051 CC1=CC=C(C=C1)C2=C(SC(=N2)NN=CC3=CC=CC=C3F)NC(=O)C 1 3.692 4 1 1.09378118717487 3790050 C1CCN(C1)C(=O)COC2=CC=C(C=C2)C=NNC(=O)C(=O)NC3=CC=CC=C3F 1 1.865 4 4 0 -14.0284920393372 3790018 CNC(=O)C1=CC=C(S1)C2=CC=CC=C2 1 2.801 1 1 -5.60482059760971 3790017 C1C2=CC=CC=C2C(=O)N1C(CC(=O)O)C3=CC=C(C=C3)Cl 1 3.003 1 3 -7.92359126920143 3789924 CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCSCC3 1 1.752 3 3 0 -7.48374309679894 3789900 CC1=NC(=C(C(=C1)C(F)(F)F)C#N)N2CCOCC2 1 2.172 3 1 -3.63476336189494 3789899 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=NC(=NO3)C4=CC=C(C=C4)Cl 1 4.039 3 3 -1.05100053645001 3789797 CC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3C(=O)C)C4=CC=CO4 1 3.693 3 2 0.158378735012559 3789774 C1=CC=C(C=C1)CCN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CC=CC=N4)O 1 3.022 2 3 -8.59760548566479 3789761 CCOC(=O)C1=CN=C(N=C1CN2CCN(CC2)C)NC3=NC4=CC=CC=C4O3 1 2.002 6 3 0 0.65355237829493 3789649 CCOC1=CC=CC=C1NC(=S)NCC2CCCO2 1 3.203 2 2 -15.0828131651227 3789576 CC1=CC(=C(C=C1)C)NC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.327 4 4 0 -2.77861395152888 3789536 CC(=NNC(=O)CNC(=O)C1=CC=C(C=C1)F)CC2=CC=CC=C2 1 1.954 3 2 0 -13.1789532366402 3789524 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC=NNC4=CC=C(C=C4)C(=O)O 1 1.687 7 4 0 -7.64944177984592 3789519 COC(=O)C1=CC(=C(C=C1)N2C=NC=N2)F 1 1.433 3 2 0 -8.6068748157055 3789515 C1=CC=C(C=C1)C(=O)NC2=C(C(=NS2)Cl)C#N 1 2.504 3 1 -8.62617382885491 3789487 C1=CN=C(N=C1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)F 1 2.305 3 4 0 -13.7220893760281 3789483 C1COCCN1C(C2=CC=NC=C2)C(=O)NN=CC3=CC=C(C=C3)Br 1 2.029 4 2 -7.83918709929727 3789436 C1COCCN1C(=O)CS(=O)C2=CC=C(C=C2)Br 1 0.961 1 3 0 -3.78949887176352 3789424 CCCCCCC1CC(OC1=O)(C)C(=NNC(=O)N)C 1 2.268 3 3 -9.66903777598398 3789397 C1C(=O)N(CS1=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 1.886 1 3 0 -2.40347233516093 3789363 CCC1=CC=C(C=C1)OC(C)C(=O)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3 1 3.597 1 4 -13.6226641978782 3789200 CCCCCCCC1CC(=O)C=C(C1C(=O)OCC)C 1 4.485 0 3 -7.17397888102357 3789195 COC1=C(C=C2C(N(CCC2=C1)C(=O)CCl)C3=CC=CC=C3)OC 1 3.349 1 3 -16.4992171779553 3789162 CS(=O)(=O)C1=CC(=C(C=C1)N)SSC2=C(C=CC(=C2)S(=O)(=O)C)N 1 2.097 2 4 -5.01352742809121 3789113 COC1=CC=CC=C1N2C3C(C(=N2)C(=O)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC=C(C=C5)Br 1 4.75 3 4 0 -5.68717850819446 3789055 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=O)NN=C(C)C3=CC=NC=C3 1 -0.128 6 3 0 -19.5304722366808 3789052 C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)CSC4=CC=CC=C4)F 1 5.005 3 1 -2.02839974406617 3789019 C1=CC=C(C=C1)C(=O)C2=CN=C(S2)C3=CC=C(C=C3)Cl 1 4.57 1 1 6.02959178849215 3789016 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)N3CCC4=CC=CC=C43 1 2.923 4 1 -4.77572760619468 3789015 CCOC(=O)NC(=O)C(=NNC1=CC=C(C=C1)Cl)C#N 1 2.574 4 3 0 -1.46549846504674 3788999 CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C=NNC4=NC=C(C=C4)[N+](=O)[O-] 1 4.322 5 2 0 -3.54407543653863 3788979 CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N 1 1.001 6 3 0 0.690472790895331 3788973 CCNC(=O)OCC12CC3CC(C1)CC(C3)C2 1 2.84 1 2 -5.39173585623129 3788964 C1=CC(=CC=C1C(=O)O)NN=CC2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl 1 5.612 2 3 5.04855948743197 3788937 CCCCC(CN1CCC(CC1)C2=CC=CC=C2)O 1 3.795 1 1 0.665520824512593 3788918 C1=CC=C(C(=C1)NC2=CN=CC=C2)[N+](=O)[O-] 1 2.123 3 2 -1.60473069039514 3788826 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C4=NON=C4C(=C3)N5CCCCC5)[N+](=O)[O-] 1 2.851 7 4 0 -6.04345835838709 3788822 C1CN2C(CC3=C(C2=O)C=NC4=NC(=NN34)SCC5=CC=C(C=C5)Cl)C6=CC=CC=C61 1 4.869 5 1 -9.09579362202291 3788804 C1C(SC(=NC1=O)NC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3 1 3.23 3 2 -12.5376132606959 3788782 COC(=O)CSC1=NC(=C2C3=C(C(SC(C3)C4=CC=CC=C4)C5=CC=CC=C5)SC2=N1)N 1 5.707 3 2 -10.0846369085995 3788759 CCCCOC1=NC(=NC(=C1[N+](=O)[O-])C)N2CCOCC2 1 1.83 4 4 0 -2.92135325857393 3788754 CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CC=C3OCC4=C(C=CC=C4Cl)F 1 3.595 9 3 0 -23.7384994349201 3788652 CN(C)CCNC(C(Cl)(Cl)Cl)NC(=O)C1=CC=CS1 1 2.53 3 1 -12.0524420410955 3788606 CCC(C)C(C(=O)NNC(=O)C1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 2.878 4 6 0 -23.0463551362512 3788602 CC1=CC=C(C=C1)N2C=NN(C2=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.97 5 5 0 -4.47625107808972 3788601 COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC(=S)N3CCN(CC3)C4=CC=CC=C4 1 4.613 7 1 0 -4.76775301414939 3788459 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)C4=CN=CC=C4)N3CC5=CC=CO5)C#N 1 1.64 6 3 0 -22.0645016815796 3788452 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3 1 2.792 5 2 0 -13.8738747742516 3788407 C=CCN1C=C(C=C(C1=O)C#N)C2=CC=CC=C2 1 1.816 2 1 0 -8.31073512503881 3788406 CC(=NOC1=NC(=CC=C1)F)C2=C(C=C(C=C2)Cl)Cl 1 4.743 2 1 3.66143585923695 3788405 CCOC(=O)C1=CN=C2C(=C1NCCCN3C=CN=C3)C=NN2C 1 0.545 6 2 0 -4.8714073733593 3788398 CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)OC 1 5.229 2 4 -0.389255116753776 3788389 COC(=O)C(C=NO)NC(=O)C1=CC=CC=C1 1 0.664 2 4 0 -9.97403785357594 3788376 CC1=CC=CC=C1NC(=O)OCC2=C(N=CC=C2)OC3=CC=C(C=C3)Cl 1 5.276 2 3 -2.73177458331892 3788342 CC1=CC(=NC2=CC(=NN12)C3=C(N(N=C3)C)C(F)(F)F)C 1 2.498 5 0 -8.55324339040559 3788341 CC1=NN(C(=C1CCNS(=O)(=O)C2=CC=CC=C2)OC3=CC=CC=C3)C 1 3.263 3 3 -3.73725812742393 3788326 CC1=CC(=CC=C1)NN=C(C2=NC(CC3=CC=CC=C32)(C)C)C(=O)N 1 3.857 4 1 -0.886086100401954 3788306 CC1C(=O)N(C(=NN=CC2=CC=CO2)S1)CC3=CC=CC=C3 1 3.619 3 2 -4.57846316677941 3788216 COC1=C(C=C(C=C1)NC(=O)CC#N)OC 1 0.977 2 3 0 -14.184373545125 3788185 CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)CCCCC(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C 1 -0.383 6 6 0 -15.1412889330328 3788105 CC1=CC2=C(C=C1)N(C3=C2CCCC3)CC(CNC(CO)(CO)CO)O 1 1.557 2 4 0 3.91058981449492 3788099 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=C3CCC4=CC=CC=C43 1 2.587 8 2 0 -24.0563040550715 3788067 C1C(C(=O)N(C1=O)C2=CC=CC=C2)NNC(=O)C3=CC=CC=C3Cl 1 1.906 3 3 0 -9.47302019048378 3788003 CC1C(=O)N(C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)CC4=CC(=CC=C4)OC 1 3.884 2 3 -7.12577336205537 3787968 C1COCCN1CCNC(=O)C2=C(N=C(C=C2)Cl)Cl 1 1.461 3 2 0 -9.73161874756161 3787966 COC(=O)NC1=NN=CS1 1 6.7e-002 3 2 0 -7.68726984897956 3787931 CC1=NC2=CC=CC=C2C=C1OCC3=CC=C(C=C3)F 1 4.071 1 1 3.10307658181902 3787928 C1CN(C=CC(=N1)C(F)(F)F)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.753 2 2 -3.44877211734569 3787913 CCN1C(=C(SC1=C2C(=O)N(C(=C3C(=NN(C3=O)C4=CC=CC=C4)CC(=O)OCC)S2)CC)C)C 1 3.7 4 4 0 -13.8693181842278 3787911 COC1=CC=C(C=C1)C2CC2C(=NO)C3=CC=CC=C3 1 3.662 1 2 -0.43232467071569 3787754 COC1=CC=C(C=C1)CCNC2=C(C(=NS2)Cl)C#N 1 3.416 3 1 -3.12026303683176 3787753 C1=CC=C(C=C1)CCNC2=C(C(=NS2)Cl)C#N 1 3.432 3 0 -3.52211173246722 3787752 C1COCCN1CCNC2=C(C(=NS2)Cl)C#N 1 1.354 4 1 0 -6.27792140311054 3787751 COC1=C(C=CC(=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)O 1 3.972 2 3 -6.55563013211658 3787750 CCCN1C(=NNC1=S)C(C)NC(=O)C2=CC=CC=C2 1 2.518 4 1 -13.7611978359935 3787734 CCCC1=NC2=CC=CC=C2C(=O)N1CC(=O)C3=CC=CC=C3 1 3.414 2 2 -8.44635843748771 3787733 CCN(CC)C(=O)C(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)F)C 1 3.2 2 2 -6.82506841113889 3787729 CC1(CC2=C(C(=O)C1)C(C(=O)N2C3=CC=C(C=C3)Cl)(C(F)(F)F)O)C 1 3.033 1 3 -6.20148431352874 3787717 CCOC(=O)C(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)N(C)C 1 2.343 2 3 -3.0839749653756 3787679 CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)N=CN(C)C 1 2.485 3 2 -5.00832405421319 3787638 CN(C)C(=O)C1=CC=CN1C2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.406 3 1 -0.304932430526059 3787605 COC1=CC=CC=C1C2=NOC(=N2)C3=CC=CC=C3C(=O)NCC4CCCO4 1 2.695 3 4 0 -13.3641994787061 3787604 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C5CS(=O)(=O)CC5SC4=NC(=O)C 1 4.19 3 3 -3.89041326190971 3787568 C1=CC=C(C=C1)CC2=NN3C(=O)C(=C4C5=CC=CC=C5N(C4=O)CC(=O)N)SC3=NC2=O 1 1.798 5 4 0 -14.6090641114858 3787567 CCOC(=O)C1=NNC(C1C2=CC=C(C=C2)C)C(=O)C3=CC=CC=C3 1 3.321 2 3 -6.62613248034325 3787451 CNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N 1 1.054 6 2 0 -4.56663354417271 3787431 CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC=C(C=C3)F)C(=O)CCC2 1 1.453 4 1 0 -18.1324248617094 3787408 CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C 1 5.95 4 4 0 -14.9538243035669 3787371 CN1C=CC=C1C(=O)C(=O)NC2=CC=CC=C2 1 2.091 2 2 -4.79325471357926 3787358 CCOC(=O)N1CCN(CC1)C(=O)C(=O)NN=CC2=C(C=C(C=C2)OC)OC 1 0.755 4 6 0 -9.56091646037862 3787351 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCSC2C3=CC=C(C=C3)OC 1 5.451 2 3 -19.1161513052538 3787336 C1=CC(=CC=C1CSCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])F 1 3.514 4 3 0 -14.526284792248 3787321 CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5C6CC(C5C4=O)C=C6 1 5.375 3 3 -9.59232202819766 3787293 CC1=CC(=CC=C1)OCCCCCN2C=CN=C2 1 3.14 2 1 4.78515881515925 3787240 C1C(CN(C1C(=O)O)C2=C(C=CC(=N2)Cl)[N+](=O)[O-])O 1 1.135 3 5 0 -6.46996566109149 3787239 C1=CC=C2C(=C1)C(=CN2)CCNCCC(C(F)(F)F)O 1 2.541 2 1 -2.80200423683389 3787031 CCC1=CC(=C(S1)NC=C2C(=O)CCCC2=O)C(=O)OCC 1 2.368 1 4 -14.1336569244885 3786957 COC1=CC=C(C=C1)C2N(CCS2)C(=S)NC3=CC(=CC=C3)Cl 1 5.911 2 1 -11.1426792633576 3786948 C1CCC2=C(C1)C(=O)N=C(N2)NC(=O)C3CC3 1 1.359 3 2 0 -14.7554545019156 3786947 CC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=O)N2O 1 3.656 2 2 6.61055177232306 3786907 CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3 1 5.066 3 1 -24.3975407227778 3786865 CC1=CC=CC=C1NC(=O)OCC2=CC=CC=C2SC 1 4.205 1 2 -8.73850843054856 3786792 C1CC(N(C1=O)C2=CC=CC=C2)(C#N)C3=CC=CC=C3 1 2.824 2 1 -4.35066601297274 3786764 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 3.934 4 4 0 -14.0958771978193 3786646 C1=CC=C2C(=C1)C=[N+](N=C2[O-])C3=C(C=C(C=C3)Cl)Cl 1 4.192 2 1 4.12608878569334 3786630 COC1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])N 1 2.511 3 3 -0.967967404586173 3786626 CC1(CC(=NC2=CC=CC=C2N1)C3=CC=CC=C3)C4=CC=CC=C4 1 4.967 2 0 -2.85593736051044 3786624 C1CSC2=NC(=O)C(=C(N21)O)C(C3=CC=C(C=C3)F)C4=C(N5CCSC5=NC4=O)O 1 3.391 4 4 0 -9.74273633882339 3786472 CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC(=CC=C1)Br 1 4.25 3 1 -13.7828760994101 3786368 CCOC(=O)CNC1=NC=C(C=C1C#N)[N+](=O)[O-] 1 0.383 4 4 0 -9.03474556690938 3786360 CN(CCO)C1=NC(=NC2=C1SC3=NC(=C4CCCC4=C23)C5=CC=CO5)SC 1 4.593 4 2 -0.262276522087987 3786348 COC1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2 1 3.207 3 1 -6.32630360773166 3786334 CC1=CC=CC2=CC(=C(N=C12)Cl)C=NNC(=O)C3=CC=CC=C3O 1 3.987 3 2 2.84720518087482 3786298 C1=CC=C2C(=C1)C(=O)C3(C2=O)C(O3)C4=C(C=C(C=C4)Cl)Cl 1 3.803 0 3 1.31982647521655 3786263 CCC(C)NC1=NC(=C(C(=N1)NC2=CC=CC=C2OC)[N+](=O)[O-])N 1 2.281 6 3 0 -5.13188058015294 3786251 COC1=CC=CC=C1C(=O)N=C2N(C3CS(=O)(=O)CC3S2)C4=CC=CC=C4 1 3.342 2 4 -15.4789203555453 3786084 CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)SC 1 3.003 3 1 -1.33949710533075 3785990 CC(C1=CC=C(C=C1)OC2=NC=CN=C2)O 1 1.401 2 2 0 -1.34445896447628 3785919 CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1OC(C)C 1 2.772 3 3 -20.533789614141 3785887 CCOC1=CN=C(O1)C2=CC=C(C=C2)Cl 1 2.773 1 2 6.32886501723368 3785886 COC1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C(=O)OC)OC3=CC=CC=C3 1 2.805 2 5 0 -4.18840510619836 3785850 CCC12CSC3=C(N1C(=O)C(=O)N2C)C=CC(=N3)Cl 1 1.949 3 2 0 -5.16994715369243 3785801 CCCCN(CCCC)C(=O)C1=C(C2=C3CCCCC3=C(N=C2S1)N4CCOCC4)N 1 5.258 4 2 -13.0440009916023 3785799 CCCSC1=NC(=NC(=C1C#N)C2=CC=CS2)N 1 3.558 4 0 -8.4721200737325 3785750 C1C(=O)N(C(S1)C2=CC=CC=C2)C3=NC(=CS3)C4=C(C=C(C=C4)Cl)Cl 1 5.512 2 1 -5.26803228983561 3785749 C1=CC=C(C(=C1)NC(=O)C2=CN=C(C=C2)N3C=NC=N3)F 1 1.751 5 1 0 -10.6044340655061 3785748 C1C2=C(C3=CC=CC=C3O1)NN=C2 1 1.82 2 1 0 0.413691017278821 3785747 COC1=CC=C(C=C1)COC(=O)NC2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.305 2 6 0 -17.3989087714197 3785744 CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4CCC=CC4 1 3.059 8 3 0 -23.9418301123835 3785735 CC(=NNC(=O)C1=CNC2=CC=CC=C21)CC3=CC(=C(C=C3)OC)OC 1 2.949 3 3 -7.85297434891394 3785714 CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=N3)C)C 1 3.166 2 2 -10.750761318643 3785638 C1CC(OC1)CN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F 1 2.105 3 2 -6.46593428797229 3785608 C1=CC(=CN=C1)C(=NOC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])N 1 1.795 4 4 0 0.968980984328814 3785595 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=C(C=C3)Cl 1 4.63 2 2 -3.49034431528463 3785564 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.666 1 4 -15.4835970707021 3785502 CCC1=CC=C(C=C1)CSC2=NC3=CC(=C(C=C3C4=NC(=O)CN42)OC)OC 1 4.46 3 3 -14.1021874380477 3785406 CC1=C(OC2=CC=CC=C12)C(=O)N(CC3=CC(=CC=C3)Br)C4CCS(=O)(=O)C4 1 4.164 1 4 -3.1745353864149 3785358 C1=CC=C(C=C1)CCNC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N 1 0.836 6 3 0 0.691482996091642 3785350 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=C3)C4=CC=CS4 1 3.144 8 2 0 -28.6899790929424 3785328 CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NC3=CC=C(C=C3)F)[N+](=O)[O-])N 1 3.322 6 2 0 3.00779687579403 3785324 CC1=C(N=CC=C1)N(C2=NCC(S2)(C)C)C(=O)NC3=CC(=CC=C3)Cl 1 4.915 4 1 -4.78296708118467 3785256 CC(=O)N(C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3)N=CC4=CC=C(O4)[N+](=O)[O-] 1 3.657 5 5 0 -7.6353819505389 3785204 COP(=O)(C#CC1=CC=CC=C1)C(C2=CC=C(C=C2)Br)O 1 3.508 0 3 1.83917680239762 3785174 CC(=O)OCCN1CCN(CC1)C(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 1.373 4 5 0 -9.88302992739351 3785157 CC1=NOC2=C1C(=NC=N2)SC3=C(C=CC=C3Cl)Cl 1 4.173 3 1 -0.37106048069025 3785155 CCOC(=O)C(C)OC1=C(SC2=C1C=CC=N2)C(=O)OC 1 2.41 1 5 -11.4751484817749 3785121 CC1=CC(=NC(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C)C 1 3.433 3 1 -3.04796569170629 3785120 CC1=NC(=NN1C2=C(C=C(C=C2)Cl)Cl)C(=O)NC 1 2.271 4 1 -2.9676076554751 3785110 CCOC(=O)COC1=C(C=C(C=C1C=NOC)Cl)OC 1 2.383 1 5 -6.6604503298494 3785109 C1CS(=O)(=O)CC1OC(=O)NCCCCCCNC(=O)OC2CCS(=O)(=O)C2 1 0.422 2 8 0 -16.8746190648841 3785106 COC1=CC=C(C=C1)N2C(=O)C3C4CCCN4C(C3C2=O)C(=O)C5=CC=C(C=C5)Cl 1 3.298 2 4 2.86967892499251 3784890 CON1C2=C(C=CC(=C2)Cl)N=C1C3=CC=CC=C3 1 1.848 2 1 0 6.2926219009436 3784892 CC(C(=O)NN=C(C1=CC=CC=C1)C2=CC=CC=C2)N3CCOCC3 1 2.841 3 2 -12.1796640377456 3784893 CCOC(=O)CSC1=NC2=C(C=CS2)C(=O)N1 1 1.873 2 3 0 -16.9911968547116 3784897 CCCCNC(=O)NC1=NN=C(S1)SCC(=O)OCC 1 1.888 4 3 0 -26.1873521643376 3784851 COC1=CC=CC(=C1)N2C(=O)CC(C2=O)NNC(=O)C3=CC=CS3 1 1.179 3 4 0 -9.52151360706714 3784845 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)NCC(=O)N 1 2.532 4 1 7.35070486425833 3784822 CN1C(=O)C(N(C1=S)NC(=O)C2=CC=C(C=C2)Cl)CC(=O)NCCC3=CC=CC=C3 1 3.119 4 3 0 -18.0701666032252 3784816 CC1=CC(=CC=C1)OCC(=O)NCC(=O)NN=C(C)CC2=CC=CC=C2 1 2.07 3 3 -12.6115110952681 3784808 CCN(C1=CC(=O)N(C(=O)N1)C)N=CC2=CC=C(C=C2)Cl 1 2.199 4 2 -1.14875538454567 3784792 C1C(SC(=NC1=O)NNC(=O)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3 1 2.823 4 3 0 -9.71589979812973 3784741 CC(C)(C)C1=NN=C(S1)NC(=O)C2=CN=C(C=C2)Cl 1 2.618 4 1 -10.0515144864588 3784687 COC(=O)C1=CC(=CC=C1)OC2=NC(=CC=C2)Cl 1 3.507 1 3 -4.76221551122178 3784685 CN1C(=O)C(=CC2=CC=CC=C2OC3=CC(=C(C=C3)Cl)F)C(=O)N(C1=O)C 1 3.706 2 4 -1.82655348187816 3784610 C1=CC=C(C=C1)C2=C(N(C3=C2C(=N)N(C=N3)CCCO)CC4=CC=CO4)C5=CC=CC=C5 1 4.051 4 2 4.34503546891996 3784439 C1=CC(=CC(=C1)C(F)(F)F)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2O 1 4.113 2 2 10.9144558633617 3784438 C1=CC(=CC=C1S(=O)(=O)NC(=O)CCCC(=O)O)Cl 1 1.491 1 5 0 -12.886558880549 3784427 CON=CCC(=O)NC1=C(C=C(C=C1)Cl)Cl 1 2.218 2 2 -2.91969648776482 3784426 C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)CN4CCOCC4)F 1 2.641 4 2 -3.18490626062353 3784370 CC1=C(C=CC(=C1)Cl)OC2=NC=NC3=C2C(=NO3)C 1 3.436 3 2 3.90104804844848 3784368 CC1=CC=C(C=C1)NN=C2CCS(=O)(=O)C3=C2C=CS3 1 3.162 2 2 -5.0974090252668 3784350 CC1=NN(C(=C1CCNS(=O)(=O)C2=CC=C(C=C2)OC)OC3=CC=CC=C3)C 1 3.246 3 4 0 -2.9807752500019 3784246 CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2OC)N3C(=CC(=N3)C)C 1 2.866 5 3 0 -7.33864501566771 3784173 C1CCN(C1)C2=NC3=CC=CC=C3C=C2C4=CC(=CC=C4)C(F)(F)F 1 5.019 2 0 12.3065869809473 3784171 CCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC 1 3.856 3 5 0 -15.9008751330096 3784133 CC1=CC=C(C=C1)C2N3CCCN3C(=O)N2C4=CC(=CC=C4)Cl 1 3.705 3 1 -1.16065566270851 3784110 CC1=CC=C(C=C1)NC(=O)C2CC(=O)N=C(S2)NN=CC3=CC=CO3 1 2.852 4 3 0 -6.83250841225256 3784106 CN(C)C(=O)C(=O)C1=CC=CN1C2=C(C(=CC=C2)Cl)C#N 1 2.84 3 2 -5.80699070198215 3784102 CC1=C(C(=O)C=CN1C(C)C2=CC=CC=C2)CC3=C(C=CC=C3Cl)Cl 1 5.623 1 1 -5.83484375387074 3784097 COC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.723 3 5 0 -14.0970229659058 3784095 CC1CN(CC(O1)C)C(=S)SCC(=O)C2=CC=CC=C2 1 3.903 1 2 -10.3267115872831 3784032 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)NN=CC3=CN(C4=CC=CC=C43)C 1 3.811 4 2 -1.16443068993646 3784009 C1=CC(=CN=C1)C=NNC(=O)CNC(=O)C2=CN=CC=C2 1 -0.559 5 2 0 -13.7878779110477 3783983 CC1=NC(=C(N1CC(=O)C2=CC=C(C=C2)Cl)Br)[N+](=O)[O-] 1 3.105 3 3 -2.03690959341791 3783920 C1=CC=C(C=C1)CC2=NC(=CS2)C(=O)NC3=CC=C(C=C3)F 1 3.664 2 1 -6.12361009440828 3783853 CC(C)(CCl)C(=O)NC1=CC=C(C=C1)C(F)(F)F 1 3.552 1 1 -0.189206401587904 3783816 CN(C1=CC=CC=C1)C(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)N5CCOCC5)N 1 4.177 4 2 -8.45803111400995 3783707 CC1=CC2=NC(=C(C=C2C=C1)C=NNC3=NC4=CC=CC=C4N3)Cl 1 4.414 5 0 9.332132470265 3783694 CCCOC1=CC=C(C=C1)S(=O)(=O)N2C(=O)CC(=O)N(C2=O)CC3=CC=C(C=C3)OCC 1 3.288 2 7 0 -9.80426472385568 3783683 CS(=O)(=O)N1C(CC(=N1)C2=CC=CO2)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.832 3 5 0 -4.91572532554137 3783682 CCOC(=O)C1=NN(C2(S1)N(C(=C(S2)C(=O)C)C)C3=CC=CC=C3)C4=CC=C(C=C4)C 1 7.196 3 3 -8.09123974476049 3783677 CC(C)OP(=O)(C(C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC=C(C=C2)[N+](=O)[O-])OC(C)C 1 3.977 3 7 0 -10.8412232024346 3783545 C1CC1C2=NC(=O)C=C(N2)CN3CCOCC3 1 2.e-003 3 2 0 -7.84297719174176 3783540 CC(C)CC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 2.278 4 4 0 -11.9028525060602 3783535 CN=C(C1=CC=CC=C1)NC2=CN=CC=C2 1 1.724 3 0 0 -3.12606014389277 3783457 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CC5=CN=CC=C5)C 1 2.744 5 3 0 -21.3686287044147 3783402 COC1=CC=C(C=C1)CN(C2CC(=O)N(C2=O)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4 1 5.311 3 3 -8.506666291717 3783366 C1=CC=NC(=C1)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 3.371 3 2 -0.624118032611095 3783354 C1=CC=C2C(=C1)N=C(S2)SCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O 1 3.293 3 4 0 -10.8750812872729 3783311 CC(C)OC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 4.256 3 2 0.720777483907071 3783290 C1=CC(=CC2=C1C=CC3=C2C(C(=C(O3)N)C#N)C4=CSC=C4)O 1 3.19 2 2 -3.60180828411418 3783287 C1=CC=C2C(=C1)N=CC(=N2)NCCO 1 0.63 3 1 0 4.04844919417421 3783278 CCOC(=O)C(C(=O)NC1=CC=C(C=C1)OC)NC(=O)C 1 0.398 2 5 0 -13.3887156152725 3783253 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=C(C=C3)OC)C(=O)C4=CC(=CC=C4)F 1 4.366 2 5 0 -5.04894879539744 3783132 CC1=NC2=C(C=NN2C(=C1)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.24 3 1 -6.39975927512222 3783101 CCOC(=S)SCC(=O)N1CCC2=CC=CC=C2C1C3C(=O)CCCC3=O 1 3.465 1 4 -14.6860073178925 3783012 C1=CC=C2C(=C1)C(=CC(=N2)Cl)C(=O)OCC(=O)C3=CC=C(C=C3)Cl 1 4.665 1 3 -10.7682390134003 3782995 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3 1 1.584 2 6 0 -20.914917554134 3782913 C1CC1C(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)(C(F)(F)F)O 1 3.292 2 2 -0.694392552250818 3782904 CC1=C(SC=C1)C2NC3=C(C4=C(S3)CN(CC4)C)C(=O)N2 1 2.906 3 1 -5.04706953483247 3782881 CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C(=C3)OC)OC)OC)CCCN4C=CN=C4)O 1 1.431 4 6 0 -18.2135434762915 3782880 CC1=NC(=C(N1)[N+](=O)[O-])SCCO 1 0.538 3 3 0 -5.42551246264406 3782863 C1=CC=C(C(=C1)C=NNC2=CC=CC=C2[N+](=O)[O-])F 1 3.548 3 2 -0.630261194240669 3782861 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NN=CC3=CC(=CC=C3)Cl 1 3.694 6 0 2.65675311927518 3782860 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)CN3CCN(CC3)CC4=CC=CC=C4 1 3.745 3 2 1.37745351478102 3782819 CC(=NNC1=NC(=O)C(S1)CC(=O)NC2=CC=CC=C2F)C3CCCCC3 1 3.609 4 2 -11.5849517692439 3782732 CC1=CC=C(C=C1)CN2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4 1 4.576 2 1 3.73229228578545 3782726 CCNC(=O)ON=C(C)C1=C(N=C(S1)C2=CC=C(C=C2)Cl)C 1 3.424 3 2 1.21777772479893 3782683 C1C(N2C=NC3=NC=NC3=C2S1)C4=CC=C(C=C4)Cl 1 2.866 4 0 -1.31248437989718 3782660 CCCSC1=NSC(=N1)NC(=O)NC2=C(C=C(C=C2)F)F 1 3.739 4 1 -6.77679889076518 3782655 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C3NC4=CC=CC=C4C(=O)N3 1 3.508 3 1 -0.326184079826975 3782650 CC(C)COP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CN=CC=C2)NC3=CC=CC=C3 1 4.669 3 2 -13.1781306983619 3782612 CCN(CC)C(=O)CSC1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3 1 3.35 2 2 -15.2670429082399 3782573 CC1=CC2=C(C=C1)N(C3=C2N=CN=C3N(C)C)C 1 2.746 4 0 1.78803005579228 3782571 COC1=CC=C(C=C1)C=NNC(=O)CN2C3=CC=CC=C3N=C2CC4=CC(=C(C=C4)OC)OC 1 4.167 4 4 0 -12.221805926154 3782523 CC1=CC=CC2=CC(=C(N=C12)Cl)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CS4 1 4.096 3 3 -10.3301383204815 3782487 CN1C(=O)C(N(C1=S)CC2=CC=C(C=C2)S(=O)(=O)N)CC(=O)NC3=CC=C(C=C3)C(=O)OC 1 1.839 4 6 0 -20.9141321414131 3782482 C1CC2C(C2(Cl)Cl)CCC3C1C3C(=O)NC4=CC(=CC=C4)Cl 1 4.242 1 1 -1.83047006583452 3782475 CC(=NN1CCN(CC1)CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F 1 3.955 3 0 6.6430882854599 3782462 C1C(OC2=CC=CC=C2O1)CNCCCC3=CC=CC=C3 1 3.608 1 2 6.59614313979395e-002 3782460 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC3=CC=C(C=C3)F 1 4.243 2 2 -13.8770949512467 3782424 CC1=C(N2C(=CC(=N2)C3=C(C=CS3)N4C=CC=C4)N=C1C)C 1 3.93 4 0 -4.36063780407865 3782423 C1CC1C(=O)N2C(=O)N=C(S2)NC(=O)C3=CC=CC=C3 1 2.607 3 3 -11.0809606692046 3782422 C1=CC=C2C(=C1)N=C(N2CC3=C(C=C(C=C3)Cl)Cl)C4=C(N=CC=C4)Cl 1 6.111 3 0 1.84043251508496 3782417 CC1=NN(C(=C1C(=O)NC(C2=CC=CC=C2)C(=O)O)Cl)C 1 1.63 3 3 0 -11.6781931862395 3782374 C1=CC=C2C(=C1)NC(=N2)C(CC3=CC=C(C=C3)OC(F)F)C#N 1 4.422 3 1 5.68808601062817 3782320 CCCCNC1=NC2=CC=CC=C2N=C1Cl 1 3.371 3 0 -0.670212790820047 3782266 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)C 1 2.548 2 3 -1.90255129810871 3782251 CC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)COC5=CC=CC=N5 1 5.656 3 3 -10.076285862756 3782238 COC(=O)C1N2C(CS1)C(=O)N(CC2=O)CC3=CC(=C(C=C3)Cl)Cl 1 2.137 2 4 -6.46092904591822 3782182 C1=CC(=CC=C1C(=O)CN2C=C(N=C2)[N+](=O)[O-])F 1 1.818 3 3 0 -3.99460008334326 3782177 CC1=C(C=CC(=C1)NC2=C(C(=NN2C)N)C#N)F 1 2.517 5 0 -4.83631833086667 3782132 CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)OCC=C 1 3.042 3 4 0 -41.3194956554001 3782110 CC1=C(C=CC(=C1)NC2=NN(C(=C2C#N)N)C)F 1 1.88 5 0 0 -3.61279098108311 3782109 CC1=CC=C(C=C1)CN2CCOC3=CC=CC=C3C2=O 1 3.115 1 2 -3.66264688058724 3782108 C1CCC(=NOCC2=CC=CC=C2F)C(C1)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.493 3 5 0 -2.60713951431777 3782056 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)Cl 1 6.243 2 4 -2.85688037407627 3782055 C1CC2=CC(=O)N(N=C2C3=CC=CC=C31)CC4=C(C=CC=C4Cl)Cl 1 5.126 2 1 -2.61388012421006 3782047 C1CCC(CC1)NC2=CC(=NC=C2)C(F)(F)F 1 3.717 2 0 -3.23489716978177 3782046 C1=CC=C(C=C1)CC(=O)C2=CNC(=C2)C#N 1 2.533 2 1 -3.52919573561691 3782032 CC1C(=O)N(C2=CC=CC=C2O1)CC3=CC(=CC=C3)OC 1 2.877 1 3 -0.813703122100876 3782031 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCOC34CCCCC4 1 3.838 2 3 -10.7688148436803 3781991 CC1=CC(=CC=C1)CC2C(=O)N=C(S2)NN=CC3=CC=CO3 1 3.872 3 2 -4.34970949950337 3781983 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.774 4 6 0 -6.20613661704944 3781888 C1C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=CC=C3N1 1 2.846 2 3 -6.26763820096015 3781851 CC1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4C3=O)NC5=C2C(=O)N(N5)C6=CC=CC=C6 1 3.869 3 2 -9.12091081057542 3781849 CCC1=NC(=O)C2=C(N1)C3=CC=CC=C3O2 1 2.091 2 2 -1.33454247436734 3781833 CC1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)Cl 1 2.775 2 2 -11.5288333434456 3781827 CC(C)C(CCN(CC1=CC=C(C=C1)Cl)C(=O)C)C2=CC=CO2 1 4.332 1 2 -5.43268523633539 3781814 COC1=C(C=C(C=C1)Cl)NC(=S)N2CCOCC2 1 3.383 2 2 -11.0087168609043 3781801 CC(=O)C(=NNC1=CC=C(C=C1)[N+](=O)[O-])N2CCCC3=CC=CC=C32 1 3.317 4 3 0 -5.77313002047731 3781780 CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)C(=O)NCCCN2CCOCC2 1 1.662 4 3 0 -9.9764871900867 3781662 C1C(C(=O)N(C1=O)C2=CC=CC=C2)NNC(=O)CC3=CC=CC=C3 1 1.277 3 3 0 -9.50162582802245 3781603 C1=CC(=CC=C1C=NNC(=S)N)C=NNC(=S)N 1 1.769 6 0 0 -4.24451716837819 3781602 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 3.892 4 4 0 -14.6763573468821 3781599 COC1=CC=CC=C1C(=O)NNC2=C(CCC2)C(=O)C(F)(F)F 1 2.46 2 3 -9.25239907325047 3781553 COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=S)NCC=C 1 3.552 3 3 -10.5744009690135 3781532 CCNC1=NC(=NC(=N1)N(C)N=CC2=CC=CO2)NCC 1 1.461 7 1 0 -3.34881602637306 3781514 CC(=O)OC(C1=C(C=CC=C1F)F)C(=O)N2CCOCC2 1 1.104 1 4 0 -10.446103287706 3781511 CC(=O)OC(C1=C(C=CC=C1F)F)C(=O)NCCN2CCOCC2 1 1.037 2 4 0 -11.822531861662 3781485 C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=C(S3)Cl 1 2.338 1 4 -0.571274105521568 3781402 CCC1=CC=C(C=C1)C2C(C(C(C(N2)C3=CC=C(C=C3)CC)[N+](=O)[O-])(C)C)[N+](=O)[O-] 1 5.903 3 4 0 -3.88380445771667e-002 3781381 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CN(C)C3=CC=CC=C3)C4=CC=CC=N4 1 2.089 10 2 0 -24.0378357352115 3781371 CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC(=C(C=C4)C)C 1 4.058 5 2 0 -0.163583467451919 3781367 CCOC1=CC=C(C=C1)NC(=O)C2=C(C3=C4CC(OCC4=C(N=C3S2)N5CCOCC5)(C)C)N 1 3.252 4 4 0 -15.4616591436376 3781344 C1CS(=O)(=O)CC1N(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)Cl 1 2.181 1 4 -12.4803989620659 3781338 CC(C)CNC(=O)C1=COC(=O)C(=C1)Br 1 1.136 1 3 0 -7.40963482558716 3781333 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=CC=CC=C3C=C2)OC4=NC=C(C=C4)[N+](=O)[O-] 1 4.418 4 5 0 -8.11995936398851 3781292 CC1(CN(CN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-] 1 3.77 3 2 -0.671209040508701 3781257 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N)O 1 2.351 3 5 0 -3.00836005581991 3781244 CN(C)CC(CCC(CN(C)C)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O 1 6.315 2 2 0.732958236229181 3781156 CC(C1CC2CCC1C2)N3C(=NNC3=S)C4=CC=CS4 1 4.297 3 0 -3.88911190722014 3781116 CCC(=O)NC1=C(C2=NC3=CC=CC=C3N=C2N1C(C)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C 1 5.882 4 3 0 -14.1018991028708 3781113 CC(=O)NC(CC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(Cl)(Cl)Cl 1 2.398 2 4 -8.31855687866979 3781100 C1CN(CCN1C2=CC(=O)NN=C2C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F 1 2.305 4 2 -7.88279447336946 3780904 C1CCC2(CCN(C(C2C1)C3=CC4=C(C=C3)OCO4)CC#N)O 1 2.125 2 3 -3.98075932322507 3780874 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCC3=CN=CC=C3 1 1.794 2 2 0 2.9903827049335 3780872 C1CC1C(=O)C2=CNC(=C2)C(=O)NCCCN3CCOCC3 1 0.809 3 3 0 -10.5894380261352 3780869 COC1=NC=C(C=C1)NC(=O)C(=C(Cl)Cl)Cl 1 2.129 2 2 -2.72483287005084 3780868 CC(C)(CCC(=O)C1=CC(=C(C=C1)OC)OC)[N+](=O)[O-] 1 2.666 1 5 -7.75942220354861 3780845 CC(C)(C)C1=CC=C(C=C1)CN2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4 1 5.49 2 1 6.31042643489676 3780844 CC1=C(C=C(C(=O)O1)NC(=O)C2=CC=CC=C2)C(C)O 1 1.059 1 4 0 -10.2675378261932 3780801 CC(C)(C)C(=O)N1CCC(CC1)(CS(=O)(=O)CC2=CC=C(C=C2)Cl)O 1 2.26 1 4 -3.88417676671615 3780804 CC1COC2=CC=CC=C2N1C(=O)C3=CC=CC=C3Cl 1 3.664 1 2 -6.45241823120101 3778647 COC1=CC=CC(=C1OC)C=NNC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4 1 4.755 4 2 2.83687973169151 3778637 COC1=CC=CC=C1N2C3C(C(=N2)C(=O)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5OC 1 3.985 3 5 0 -7.59028132097052 3778607 C1=CC(=CC(=C1)NC(=S)NNC(=S)NC2=CC=C(C=C2)Cl)C(F)(F)F 1 6.283 4 0 3.50921280653798 3778596 COC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)N3CC4=CC=CC=C4C3=O 1 4.841 1 5 -10.5032667943063 3778594 C1=CN(N=C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 3.399 4 3 0 -4.46763925826018 3778593 CC1=CN2C(=C(C=N2)C3=CC=C(C=C3)F)N=C1C4=CC(=C(C=C4)OC)F 1 4.449 3 1 3.10817678548938 3778576 CCS(=O)(=O)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NN 1 -0.879 3 6 0 -16.8850327256875 3778526 COC1=CC=C(C=C1)NC(=O)C2CCCO2 1 1.266 1 3 0 -12.0033924615558 3778533 C1CNC(C2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)Cl 1 3.02 2 1 -9.13720129524167 3778535 CC(C)(C)NC(=S)N=C(N)N[N+](=O)[O-] 1 3.23 5 2 0 -9.95360051975066 3778448 CC1=C(C=C(C(=C1)C2(C3=CC=CC=C3NC2=O)O)O)C 1 2.444 1 3 -1.81273919065628 3778437 CCOC(=O)C1=CC(=C(N(C1=O)NC(=O)C2=C(C=C(C=C2)Cl)Cl)N)C(=O)OCC 1 2.153 3 6 0 -5.91238122362149 3778426 C1C(=NN(C1=O)C2=CC=CC=C2)C3=CN=CC=C3 1 1.646 3 1 0 -2.51019911033524 3778375 CC(C)(C)C1=CC(=O)N=C(N1)SCC2=CC=CC=C2Cl 1 4.332 2 1 -11.4134275445229 3778366 CC1=CC(=NN1C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SCCN(C)C)C 1 4.046 5 1 -17.5527480482245 3778296 CCCCOC(=O)C1=C(C2=C3CC(OCC3=C(N=C2S1)N4CCOCC4)(C)C)N 1 3.319 3 4 0 -17.3736879827275 3778273 CC(C1CC1)N(CC2=CC=CC=C2)C(=O)NC(=O)C3=CC(=CC=C3)F 1 4.01 2 2 -4.90683755115172 3778243 CC1=CC=CC=C1NC2=NCC(S2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.223 3 2 -3.95561754710634 3778215 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4 1 3.459 5 3 0 -21.6463253876752 3778180 CN1C2=CC=CC=C2C(=C1N3CCOCC3)C=O 1 2.063 2 2 -1.69708830279242 3778177 CC(=O)C1=CN(C(=O)NC1=O)N2CCCCC2 1 -0.485 3 3 0 -7.74499882528464 3778136 CCOC(=O)CSC1=NNC(=N1)NC(=O)C2=CC=CC=C2 1 2.035 4 3 0 -13.873116378289 3778134 CCCCN(C1=CC=CC=C1)S(=O)(=O)N(C)C 1 1.866 2 2 0 -7.08395484405588 3778132 CC1=CC2=C(C=C1)SCCC2=NOS(=O)(=O)C3=CC=C(C=C3)OC 1 3.927 1 4 0.131799284068923 3778106 CC(=NNC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)O 1 2.998 5 4 0 -3.25167031450337 3778067 C1C(C(C(=O)CC1=O)N2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl 1 2.359 3 2 -2.6792354730228 3778038 C1=CC=[N+](C(=C1)SCC(=O)CSC2=CC=CC=[N+]2[O-])[O-] 1 1.1 2 3 0 -4.50473866191736 3778037 CCN1C(=NN=C1SC)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.329 4 3 0 -16.7328136475593 3778036 CON=C(CN1CCCCC1)C2=CC=C(C=C2)Cl 1 3.263 2 1 2.01216977731646 3778035 CON1C2=C(N=CC=C2)N=C1C3=C(C=C(C=C3)Cl)Cl 1 1.557 3 1 0 2.89953634095541 3778031 COC1=CC=CC=C1S(=O)(=O)CC(COC2=CC=C(C=C2)C#N)O 1 2.34 1 5 -11.589584235667 3777955 C1CCN(CC1)C2=C(C=C(C=C2)C=NOC(=O)C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-] 1 5.446 3 4 0 4.18714401858673 3777954 C1=CC(=CC(=C1)C(F)(F)F)C(=O)OC(CC#N)CNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 5.087 3 2 1.05476978636524 3777951 CCOC(=O)C(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)NCC2=CC=C(C=C2)C 1 4.207 2 3 -6.71007161135518 3777943 C1=CC=C2C(=C1)C(=NS2(=O)=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.159 4 4 0 -6.3681514865649 3777820 CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)CN3C(=CC(=N3)C)C 1 2.57 3 2 -9.23071169818486 3777819 CCOC1=CC=CC(=C1OCC)C2C(=C(OC3=C2C(=O)NC(=C3)C)N)C#N 1 1.551 3 4 0 -18.6595507756998 3777753 C1=CC(=CC=C1NN=C(C=O)C(=O)C2=CC=NC=C2)Cl 1 2.617 3 2 -0.523462865742751 3777574 C1=CC=C2C(=C1)C(C(=O)N2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.198 2 1 -4.86200169183279 3777568 C1=CC=C(C=C1)C(CO)NC(=O)C2=CC=CO2 1 1.506 1 3 0 -6.16676969027212 3777559 CN1C(CC(O1)CN2C=C(C(=O)N(C2=O)C)C#N)C3=CC=CC=C3 1 0.344 4 3 0 -8.72168177245461 3777516 C1CCC23C(C1)CC4=C(N2C5=CC(=C([N+](=O)[O-])[N+](=O)[O-])C=CC5=N3)CCCC4 1 4.487 4 4 0 -2.0234223643184 3777498 CCN(CC)C(=O)C(=O)C1=CC=CN1C2=C(C(=CC=C2)Cl)C#N 1 3.538 3 2 -8.5859898868613 3777408 COC1=C(C=C(C=C1)CC(=O)NNC2=NC=NC3=C2C=NN3CC4=CC=CC=C4)OC 1 2.394 6 3 0 -9.37213875060138 3777338 CCOC(=O)C1=NN(C(=CC1=O)C)C2=CC=C(C=C2)Cl 1 3.2 2 3 -3.60521111607182 3777318 CC(C)C(C(=O)NCC1=CC=CO1)OC(=O)C2=NSC(=C2Cl)Cl 1 3.401 2 4 -11.4247807809612 3777229 CC(=O)C1=[N+](C2=C(C=CC(=C2)OC)N=C1COC(=O)C3=CC=CS3)[O-] 1 2.209 2 5 0 -5.28876396070965 3777173 CCOC1=NN=NC2=C1SC3=NC(=C4CCCCC4=C23)N5CCOCC5 1 3.708 5 2 0 -10.5999696908814 3777158 CN(C)C=NC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.996 5 1 1.05744698832965 3777155 CN(C)C(=C(C#N)C#N)CC=NOCC1=CC=C(C=C1)Cl 1 2.309 4 1 -2.25563942862164 3777152 CC1=CC=C(C=C1)C2=NC(=C(O2)N3CCOCC3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5 1 5.799 2 3 -1.71788774050563 3777125 CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC3=C(C=C(C4=CC=CC=C43)[N+](=O)[O-])[N+](=O)[O-] 1 5.348 4 5 0 -6.81575148804139 3777098 CC1=CC=C(C=C1)C2=C(SC(=N2)NN=CC3=CC(=C(C=C3)OC)OC)NC(=O)C 1 3.454 4 3 0 -4.47340156965214 3777032 CC1=NN(C(=C1C(=O)NCC(=O)O)Cl)C 1 -8.9e-002 3 3 0 -10.9409731059668 3776971 C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NN=CC4=CC(=CC=C4)C(F)(F)F 1 5.989 2 1 0.743154503931646 3776932 COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(C3C(=O)CC(CC3=O)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)O 1 4.3 0 7 0 2.61890763083012 3776906 CCOC1=CC=C(C=C1)NC(=O)C(C)SC(=O)N 1 1.822 2 3 0 -8.14304733248051 3776891 C1=CC(=CC=C1NN=C(C=NN)C(=O)C2=CC=NC=C2)Cl 1 2.179 5 1 -0.798957490560465 3776864 COC(=O)C1=C(C2=CC=CC=C2S1)N3C=CC=C3C(=O)C(=O)NC4=CC=CC=C4 1 4.676 2 4 -2.74925807655165 3776856 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.51 2 2 -7.26779918163024 3776854 CC1(C(=O)N(C(=O)N1)CC(CN(C2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)C3=CC=CC=C3)O)C 1 1.551 4 8 0 -17.7438769899806 3776837 CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)OCC 1 4.515 1 5 -13.2586206761218 3776753 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=CC=CC=C3)C(=O)O 1 3.11 1 5 -13.7320154972406 3776752 CC(C)C1=CC=C(C=C1)OC(=O)NC2=CC=CC=C2C(=O)OC 1 4.219 1 4 -8.3898291180235 3776711 C1=CC=C2C(=C1)C(=NC=N2)NN=CC3=CC(=CC=C3)Cl 1 3.573 4 0 7.95006029105953 3776710 CCCCCC(=O)NCC1=C(N(N=C1C(F)(F)F)C)N2CCOCC2 1 2.987 4 2 -14.8007596114891 3776698 CCC1=CC=CC=C1NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O 1 2.382 2 3 -14.6595471861427 3776633 C1=CC=C(C=C1)C(C(F)(F)F)OP(=O)(O)OC2=CC=CC=C2 1 3.992 0 4 -3.9777810199356 3776625 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)Br 1 3.802 2 4 -21.438710910785 3776613 CC1(CC(=O)C(=C(CCCCC(=O)OC)NNC2=NC3=CC=CC=C3C4=CC=CC=C42)C(=O)C1)C 1 4.047 3 4 0 -16.62810928536 3776604 CC(C)COC(=O)C1=C(C2=C3CC(OCC3=C(N=C2S1)N4CCOCC4)(C)C)N 1 3.182 3 4 0 -17.9707769437656 3776583 CN1C(=CC(=O)N(C1=O)C)NN=CC2=CC(=C(C=C2)OC)OC 1 1.153 4 4 0 -12.6348138804586 3776576 C1=CC=C2C(=C1)C(=O)N=C(N2)CNCC3=CN=CC=C3 1 0.732 4 1 0 -5.70132902461073 3776572 CC(CNC1=C2C3=C(CN(CC3)C)SC2=NC(=N1)SC)O 1 2.587 4 1 -2.63849406864245 3776565 CCOC(=O)C1=CC(=C(NC1=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C#N 1 2.04 4 4 0 -6.07880064633321 3776559 CCSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=C(C=C2)Cl)C#N 1 4.234 2 2 -29.7446058110504 3776489 COC1=CC=C(C=C1)CN2C3=C(C=C(C2=N)C(=O)NCC4CCCO4)C(=O)N5C=CC=CC5=N3 1 1.18 5 4 0 -25.1431468491128 3776455 C1=CC=C(C=C1)CCNC(=O)NC(CC2=CC=CC=C2)C(=O)O 1 2.795 2 3 -13.8858712377506 3776420 CC(C1=CC=NN1S(=O)(=O)C2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl 1 5.089 2 3 -6.0987648826173 3776414 CCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])OC 1 3.678 3 5 0 -20.9973757687486 3776346 CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3CCC=CC3 1 1.068 9 2 0 -22.8251797889221 3776315 CN1C(C2=C(N(C(=O)N(C2=O)C)C)OC3=CC=CC=C31)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.024 4 5 0 -14.4189626736893 3776314 CCN(CC)C1=CC=C(C=C1)N=NC2=NN(C(=C2[N+](=O)[O-])C)C 1 4.288 6 2 0 0.385650005745882 3776307 CCC1=C(N=C(C(=C1C)C#N)SC(C2=CC=CC=C2)C(=O)O)C 1 4.55 2 2 -11.655673270385 3776285 CC1=C(C(C(=C(N1)SCC(=O)N)C#N)CC(C)C)C(=O)C 1 1.465 3 2 0 -29.9498283904028 3776282 CC1CCCCN1C(=O)CCC(=O)NC2=NN=C(S2)C(F)(F)F 1 1.697 4 2 0 -17.938951396026 3776223 CN1CCC2=CC3=C(C(=C2C1CC(CC4=CC=CC=C4OC)O)OC)OCO3 1 3.198 1 5 -6.8609406714162 3776216 C1=CC(=C(C=C1C(=O)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-])Cl 1 1.279 4 4 0 -8.1373705276947 3776201 C1CCC(CC1)OP(=O)(C(C2=C(C=C(C=C2)Cl)Cl)O)OC3CCCCC3 1 5.784 0 4 1.01911521997459 3776122 COC1=CC=C(C=C1)NC(=O)C2CC(=O)N=C(S2)NN=CC3=CC=CO3 1 2.349 4 4 0 -7.2454746213967 3776093 C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O 1 4.529 5 3 0 -15.2372917841209 3776081 CC1=CC2=NC=C(N2C=C1)C(=O)C3=CC=C(C=C3)Cl 1 3.553 2 1 -1.3785279271522 3776046 COC(=O)CNC(=O)C1CCN(CC1)C(=O)OCC2=CC=CC=C2 1 1.193 2 5 0 -12.4242037820161 3776044 C1COCCN1C2=NC=C(C=C2)NC(=O)C3=CC=CS3 1 1.186 3 2 0 -5.25872496617509 3776019 CC1=NC(=C(N1)[N+](=O)[O-])SCC2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 2.539 4 5 0 -9.38143528664975 3775977 CCOC(CCNC(=O)C1=CN(C=N1)C2=CC=CC(=N2)C)OCC 1 1.698 4 3 0 -11.1469325902625 3775942 CC(C)CN1C(=O)C2=C(N=C3N2CCCN3CC4=CC=CC=C4)N(C1=O)C 1 2.64 5 2 0 -11.6199370221139 3775939 CCCC1C(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3 1 2.794 2 3 -16.7089076674139 3775913 COC1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C#N)Cl 1 1.933 3 2 0 -2.02988245520511 3775892 C1COCCN1C2=NC3=CC=CC=C3C4=NN=C(N42)C5=CC(=C(C=C5)Cl)Cl 1 4.034 5 1 0.940164965504582 3775826 CCCCC1=CC=C(C=C1)NC2=NCCCS2 1 4.148 2 0 -7.99651225018026 3775786 CC1=C(C(=CC=C1)OC2=NC=NC3=C2C=C(O3)C4=CC=CC=C4)C 1 5.435 2 2 8.40643178807626 3775785 CCOC(=O)C(C(=O)NC1=CC=C(C=C1)C(C)C)NC(=O)C 1 1.609 2 4 0 -12.5206987608634 3775751 CN(C)S(=O)(=O)C1=CC(=C(C=C1CC(=O)OC)OC)OC 1 0.804 1 6 0 -12.4427983147677 3775740 CC1=CC(=C(C=C1)NC(=O)CCCCCCCCCCC2COCCO2)C 1 5.594 1 3 -17.0236814858823 3775737 CC1(CC2=C(C=NN2C3=CC=CC=C3)C4=C1C5=CC=CC=C5N4CC(CBr)O)C 1 5.593 3 1 3.87933016440896 3775723 COC1=CC=C(C=C1)C(CCO)N2CC3=CC=CC=C3C2=O 1 2.116 1 3 -5.6295397049955 3775696 C1CC(C(=O)NC1)C(=O)NN=CC2=CC(=CC=C2)Cl 1 1.579 3 2 0 -13.8175566490472 3775673 C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2Cl)C3=NC(=NO3)C4=CC=C(C=C4)Cl 1 4.039 3 3 -0.363399845828345 3775639 C1CC1C(=O)NC2=NC=C3C(=N2)CC(CC3=O)C4=CC=CS4 1 2.005 3 2 -18.9944235562743 3775626 CC1=CC=C(C=C1)NN2C(=O)C=C(C2=O)C3=CC=CC=C3 1 3.375 2 2 1.96380556869206 3775621 CCOC(=O)C(C)S(=O)(=O)C1=NC=C(C=C1)C(F)(F)F 1 2.226 1 4 -4.14559073627191 3775575 CCOC(=O)CCCNC(=O)CCNC(=O)C1=CC=C(C=C1)OCCC(C)C 1 2.535 2 5 0 -27.6345212596115 3775516 CC1=CC=CC=C1N2C(=O)CC2(C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4 1 4.556 2 2 -3.48207225220677 3775510 CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.005 4 7 0 -6.76112019802979 3775493 C1=CN(C=C1)C2=C(SC=C2)C(=O)NNC(=O)C3=CC(=CC=C3)Cl 1 3.365 3 2 -4.99996217973249 3775466 C1=CSC(=C1)C=NNC2=NC(=O)C(S2)CC3=C(C=C(C=C3)Cl)Cl 1 5.273 3 1 -3.07037273536397 3775207 CC(=CC(=O)NCC1=C(C=CC=C1Cl)N2C=CC=C2)C 1 4.044 2 1 -7.1188844273074 3775204 COC1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C(=O)OC)SC3=CC=CC=N3 1 2.752 3 4 0 -6.48823628764741 3775159 C1=CC=C2C(=C1)N=C3C(=N2)NC4=C(N3)C=CC(=C4)[N+](=O)[O-] 1 2.262 5 2 0 -5.27212573669374 3775134 CC(C)(C)C1=CC=C(C=C1)CN2N=NC3=CC=CC=C3S2(=O)=O 1 4.519 3 2 -4.14662082972851 3775120 CCNC(=O)NNC(=O)C1CC(=NO1)C2=CC=CS2 1 0.272 4 3 0 -10.5239595792753 3775080 CC(=O)N1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])SC(=O)C 1 2.584 2 4 -0.320751393447895 3775047 COC1=C(C(=C(C=C1)C=NNC2=CC=C(C=C2)C(=O)O)OC)OC 1 3.029 2 5 0 -2.09215479816294 3775026 CC1=C(SN=N1)SCCNC(=O)C2=CC=C(C=C2)F 1 2.386 3 1 -12.2877531372018 3774974 CC1=CC=C(C=C1)C(=O)NNC2=NC3=CC=CC=C3N=C2C(F)(F)F 1 3.86 4 1 -0.470270199805738 3775000 CC1(CC2=C(C(=O)C1)C3(CCCCC3)C(=C(N2)SCC(=O)N)C#N)C 1 2.325 3 2 -24.7836027979145 3774963 C1=CC(=CC=C1NC2=NC(=O)C(S2)CC3=C(C=CC(=C3)Cl)Cl)Cl 1 5.915 2 1 -1.59671686027093 3774915 C1COCCN1CCCN2C(=CSC2=NC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 1 2.281 4 4 0 -16.3996383285342 3774881 CCC(C1=CC=CC=C1)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 3.362 3 2 -11.9014336443954 3774839 CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)N4CCN(CC4)C 1 4.391 5 0 1.32069020955748 3774819 CCC(C)SC1=NN=C(N1C)CNS(=O)(=O)C2=CC=C(C=C2)F 1 2.626 4 2 -9.95190951747881 3774818 C1C(C2=C(C=C(C=C2OC1=O)O)O)C3=CC=C(C=C3)Cl 1 3.387 0 4 3.65449683503212 3774810 CCOC(=O)N1CCN(CC1)CC(C2=CNC3=C2C=C(C=C3)OC)O 1 1.878 3 4 0 -0.958672384241519 3774783 CC1=NC2=C(C=C(C=C2)NC(=S)NCC=C)N=C1C 1 3.158 4 0 -11.6893901264504 3774782 CCOC(=O)CNC(=S)N1C=NC(=N1)N 1 0.499 5 2 0 -10.3046470753152 3774768 C1=CC(=C(C=C1Cl)Cl)CNC2=NC=C(C=N2)C#N 1 2.699 4 0 -1.40539026736452 3774767 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(C=CS2)N3C=CC=C3 1 2.89 3 3 -10.8730390960843 3774757 CC1=NN(C(=C1CCNC(=O)C(C)(C)C)OC2=CC=CC=C2)C 1 3.442 3 2 -8.92329519510197 3774740 CC1=CC(=NC(=N1)NN=CC2=CC=CC3=CC=CC=C32)C 1 3.027 4 0 -0.56800077733853 3774739 CCOC1=C(C=C(C=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC 1 0.125 4 4 0 -12.5640245677339 3774721 CCC1(C2=C(C3=CC=CC=C31)N=CC=C2)O 1 2.532 1 1 0.483579002745611 3774716 CCN(C1CCS(=O)(=O)C1)C(=O)C(=O)OCC 1 -0.214 1 5 0 -14.011436482956 3774666 C1=CC=C(C=C1)C(=O)C2=NN(C3C2C(=O)N(C3=O)C4=CC=CC=C4Cl)C5=CC=CC=C5 1 4.682 3 3 -5.25432617819087 3774662 C1COC2=C(O1)C=CC(=C2)N3C(=O)CC(C3=O)SC4=CC=C(C=C4)Cl 1 3.517 1 4 4.27170343836118 3774656 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCO3)CC4CC(=NO4)C5=CC=CC=C5OC 1 1.578 6 5 0 -21.921533114189 3774634 CC(C(=O)O)SC1=NC(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3 1 2.455 3 4 0 -18.2309586669606 3774570 C1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4 1 5.599 3 3 -6.04395170451549 3774532 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=NO2)C 1 1.445 3 4 0 -7.46528451089889 3774420 CC1=CC=C(C=C1)NCCC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1 3.712 4 6 0 -2.24213827015751 3774396 CSC1=NC(=S)C2=C(N1)NC(=S)N2 1 1.89 4 0 0 -8.73805719226653 3774350 CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCOCC3)C 1 2.533 6 3 0 -1.25379924278102 3774346 C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC(=CC=C3)O 1 3.387 2 2 -13.6778780485023 3774344 CCCCC(CC(COCC(C)C)O)C(=O)NNC(=S)NCC=C 1 3.19 3 3 -17.3815130703229 3774250 CCC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SCC(=O)N)C#N 1 1.578 3 2 0 -30.0007801573467 3774232 CC(=C)CCOC(=O)C(CC(=O)O)NCC1=CC=CO1 1 -1.199 1 5 0 -14.7337257925085 3774152 CCOC(=O)NC(C(Cl)(Cl)Cl)S(=O)(=O)C1=CC=CC=C1 1 3.337 1 4 -6.13069008649194 3774108 CC1=CC(=C(N1C2=CC=CC=N2)C)C=C3C(=O)N(C(=S)N(C3=O)C)C 1 2.731 4 2 -3.53869618580646 3774068 COC1=CC=C(C=C1)C2=NCC(S2)CBr 1 3.144 1 1 1.38869090619782 3774041 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br 1 5.134 1 2 -0.723857260629674 3773943 COC1=C(C2=C(C=C1)C(OC2=O)NC3=C(C=C(C=N3)Br)Br)OC 1 3.948 2 4 -7.42957347562707 3773884 C1=CC(=C(N=C1)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-] 1 3.374 5 2 0 2.24718551366059 3773883 CONC=NC(=O)NOCC1=C(C=C(C=N1)C(F)(F)F)Cl 1 1.282 4 3 0 5.70433553426613 3773882 CC1=CC=C(C=C1)N2C(=NNC2=S)CC3=NOC4=CC=CC=C43 1 4.282 4 1 -5.13523730304249 3773878 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)O 1 2.812 2 5 0 -21.6243213599504 3773843 CN1C(=O)C(N(C1=S)CC2=CC=CS2)CC(=O)NC3=CC=C(C=C3)OC 1 3.002 3 3 -14.3676613294983 3773819 CC1CC(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3 1 1.955 2 3 0 -14.7019567512282 3773817 C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=O)C3CC3C(=O)O 1 2.48 2 3 -0.547113236611974 3773814 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CCC5=CC=CC=C5 1 3.73 4 3 0 -20.8894114461523 3773809 CC1=C(N(N=N1)C2=NON=C2N)C(=O)NN=CC3=CC=CC4=CC=CC=C43 1 2.06 8 2 0 -17.271796148861 3773800 C=CCNC1=NC(=C(C(=N1)NC2=CC(=CC=C2)Cl)[N+](=O)[O-])N 1 2.328 6 2 0 -2.33889917095343e-002 3773770 CC(C(=O)OC)OC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=CC=N3 1 3.071 3 3 -3.73218896349094 3773766 CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N4CCCC4C2=O 1 3.549 3 1 -1.24139132787364 3773764 CC1=C(C(=O)N=C(N1)SC)CCOCC2=CC=C(C=C2)F 1 2.842 2 2 -8.50493818660515 3773742 CC1=CC(=NN1C(CC(=O)N2CCC3=CC=CC=C3C2)C(=O)O)C 1 1.696 3 3 0 -15.5354593868342 3773708 COC1=CC=C(C=C1)C(=O)C(=NNC2=CC=C(C=C2)F)C=O 1 3.292 2 3 -1.23183290335875 3773687 C=CCSC1=NC2=C(C=CS2)C3=NC(=O)CN31 1 2.37 3 1 -13.2296839111004 3773685 C1CC(OC1)CNC(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.785 2 2 -13.8505067104374 3773682 C1CCC(CC1)NC(=NCC2=CC=C(C=C2)Cl)NC3=CC=CC=C3 1 5.313 3 0 -2.44687226263251 3773660 CC(C(=O)NNC(=O)C1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 1.579 4 6 0 -15.6630793197349 3773633 CC1(C(=O)NC2=CC=CC=C2O1)C(=O)NCC3=CC=C(C=C3)F 1 2.129 2 3 -9.53850866320762 3773593 CC1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3 1 2.111 2 2 -14.3148925985542 3773561 C1COCCN1CCCNC2=NC(=C(C(=N2)NC3=CC(=CC=C3)Cl)[N+](=O)[O-])N 1 1.6 7 3 0 2.91187515643482 3773502 CCCCC1=C2CCCCC2=C(C(=O)N1)C#N 1 2.898 2 1 -8.31031204559359 3773482 C1CCC(CC1)N2C(SCC2=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.415 2 3 -10.9743534802175 3773417 C1=CC=C2C=C(C=CC2=C1)NC3=C(C(=O)OC4=CC=CC=C43)[N+](=O)[O-] 1 3.639 2 4 -4.80202911923927 3773351 C1CN(CC2=CC=CC=C21)C3=NC=NC4=C3NC5=C4C=C(C=C5)Br 1 4.46 4 0 5.72615223820972 3773368 COC1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2[S-].[Na+] Na+ 1 4.022 2 2 -4.2922628230402 3773327 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC(C)C)N 1 1.607 2 3 0 -12.8289999297571 3773303 C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)C3=NNC(=S)O3 1 4.316 2 2 -2.07627684129528 3773258 COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4 1 2.662 2 7 0 -17.8733194678944 3773237 CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)OC 1 3.165 1 6 0 -10.0406205449388 3773226 C1=CC(=C(C(=C1)Cl)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N)Cl 1 4.575 2 1 0.881452580730036 3773165 C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O 1 3.13 1 4 -9.75096477669657 3773164 CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CC#N 1 4.287 2 1 -3.57091241801724 3773109 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3CCCC3)C4=CC=C(C=C4)OC 1 3.186 3 3 -6.4703261879937 3773079 CC1CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=N3)C 1 2.846 2 2 -9.39355892349474 3772923 CC1=C2CCCCC2=C(C(=S)N1)C#N 1 2.556 2 0 -7.70702452813442 3772917 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)COC)C3=CC=C(C=C3)OCC4=CC=CC=C4 1 2.436 8 4 0 -28.5487322918999 3772916 CCCCC1C(=O)N(C(=NN=CC2=CC=C(C=C2)OC)S1)CC3=CC=C(C=C3)OC 1 5.628 3 3 -7.33595583300557 3772905 CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC=C2)OC(C3=CC=CC=C3)C(F)(F)F 1 6.28 0 4 -1.58517268262633 3772903 CCC(C)NC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C(=O)C4=CC=CO4)CC 1 2.977 4 4 0 -10.3423793729394 3772891 CC(C)NC(=O)C1(CC1(Cl)Cl)C2=CC=CC=C2 1 2.544 1 1 -8.2280570633195 3772864 CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)N4CCOCC4 1 4.122 4 1 -3.24780130916895 3772838 CCCCN(C1CCS(=O)(=O)C1)C(=O)NC2=CC=CC=C2 1 1.988 2 3 0 -14.440869971786 3772827 CC(=NNC(=S)N)CC1CC(OC1=O)(C)C 1 0.81 3 2 0 -9.60968081775096 3772822 C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCN 1 1.327 4 2 0 -2.37999438844927 3772753 CCOC(=O)C1=C2C=CC=CN2C=C1C3=CC=C(C=C3)Cl 1 3.912 1 2 -0.368655267760483 3772791 C1CC(OC1)CNC(=O)C(=O)NCCN2CCOCC2 1 -1.087 3 4 0 -17.3088243798307 3772745 CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC(=CC=C3)OC)C(=O)NCC4CCCO4 1 4.748 2 3 -6.86115032114092 3772671 CN(C)CC(CCCCCCCCC(=O)OC)O 1 2.823 1 3 -10.5736959935187 3772598 CC(CC1=NNC(=S)N1N)C2=CC=CC=C2 1 2.147 4 0 -6.15776176576318 3772589 CCCCSC1=C(C(CC(=O)N1)C2=CC=CC=C2C)C#N 1 3.86 2 1 -14.3457436492625 3772586 CC1(CC2=CC=CC=C2C(=N1)C(=NNC3=CC=C(C=C3)OC)C(=O)N)C 1 3.354 4 2 -3.20610725007462 3772517 COC1=C(C(=CC(=C1)CN2CCCCCC2)Br)O 1 3.766 1 2 4.02288908575301 3772515 C1CCCN(CC1)CP(=O)(C2CC3=CC=CC=C3C2)[O-] 1 1.638 1 2 0 -0.271866625275379 3772475 CC1=CC(=NN1)NC(=O)C2=CC(=CC=C2)Br 1 2.491 3 1 -5.69111401720119 3772452 CC(CC1=NNC(=S)O1)C2=CC=CC=C2 1 3.286 2 1 -4.11417575353672 3772437 CC1=C(C(=NC(=N1)C(F)(F)F)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C#N 1 5.078 6 0 1.46218102906874 3772363 CC1(CC(=O)C(=NNC2=CC=CC=C2OC)CO1)C 1 1.868 2 3 0 -10.674532815353 3772300 CC1(CC(=O)C(=C(CCCCCC(=O)OC)NNC2=NC3=CC=CC=C3C4=CC=CC=C42)C(=O)C1)C 1 4.503 3 4 0 -16.6853594028963 3772253 C1=CC(=C(C(=C1)Cl)CN2C=CC=C(C2=O)NC(=O)C3=C(C=C(C=C3)Cl)Cl)Cl 1 4.612 2 2 -6.68067286523172 3772239 COC(=O)C1=CN2C(=NC(=C2Br)C3=CC4=C(C=C3)OCO4)C=C1 1 3.123 2 4 -1.19756618137113 3772209 C1=CC(=CC=C1C=NNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)OCCCF 1 5.112 2 4 -10.5077943400731 3772133 CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NCCCOC 1 2.329 2 4 -23.0366631530438 3772093 CC1(C(=O)N(C(=O)N1)CC(=O)O)C2=CC3=CC=CC=C3C=C2 1 1.466 2 4 0 -5.41880832559836 3772034 COCCNC1=NC(=C(S1)C#N)Cl 1 1.076 3 1 0 -3.48042316602878 3772032 C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C(=C2O)C4=CC(=O)NN4 1 2.184 3 3 -6.2094217048327e-002 3772002 C1=CC(=C(C(=C1)Cl)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O)F 1 4.444 0 3 -2.56662681863493 3771982 CC(=O)NC1=NN=C(S1)SCC2=CC=CC=C2F 1 2.296 3 1 -15.7717359743816 3771976 CCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CN=CC=C2)O 1 2.353 2 3 -9.75841536949732 3771946 CC(=O)C1=CN=C(S1)NC2=C(C(=CC=C2)Cl)Cl 1 3.1 2 1 -0.519365949208871 3771931 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CSC(=N3)NNC4=NC(=CS4)CCN5C(=O)C6=CC=CC=C6C5=O 1 2.28 6 4 0 -4.64367965652998 3771908 CC1=CC(=NC(=N1)N2CCOCC2)NN=CC3=CC=CC=C3 1 1.605 5 1 0 0.51451763857643 3771891 CCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=C(C=C(C=C2)Cl)Cl)O 1 4.833 1 3 -2.57193830903772 3771857 C1=CC=C(C=C1)CNC2=CC(=NC=N2)Cl 1 2.856 3 0 -2.71102979237705 3771769 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCCC3)C=C2C#N)C#N)C 1 4.443 4 3 0 -29.7300556446299 3771744 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=O)NN=C3C4=CC=CC=C4 1 2.585 4 2 -8.59467149883471 3771682 CC1=NC(=CC=C1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(C)C 1 4.781 2 3 -15.1363729955978 3771671 CCC(=O)N(C)CCC1=CC2=C(C(=C1C=NNC(=O)C3=CC=CC=C3O)OC)OCO2 1 2.514 3 6 0 -5.00895151399474 3771635 CCN(CC)C(=O)C1=C(N=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)F)C 1 2.952 2 3 -4.6198887689971 3771607 CC1CCCCC1N2C(=NNC2=S)C3=CN=CC=C3 1 3.128 4 0 -7.09198931093077 3771545 CCOC(=O)C1=CN=C2C(=C1NCCC#N)C=NN2C 1 0.719 5 2 0 -10.3784333581313 3771538 COCCOC1=C(C=C(C(=C1)N2C=CC=C2)Cl)Cl 1 3.887 1 2 -2.16001863202655 3771483 C1C(N(C2=CC=CC=C2O1)C(=O)C(Cl)Cl)C3=CC=CC=C3 1 3.765 1 2 -2.02271100061936 3771443 CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC)N3C(=CC(=N3)C)C 1 2.866 5 3 0 -5.69392108136638 3771415 CN(C)C1=NC(=NC(=C1)NN=CC2=CC=CC=C2C(F)(F)F)N(C)C 1 3.296 6 0 1.4660292337502 3771272 C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=C(S3)Br 1 3.91 3 0 -2.51114089152619 3771205 CCC(C)NC1=NC(=C(C(=N1)NC2CCCCC2)[N+](=O)[O-])N 1 2.579 6 2 0 -8.08257524236065 3770988 CC1=CC(=CC(=C1)N2C(=O)C3C(C2=O)NN=C3C(=O)OCC4=CC=CC=C4)C 1 2.728 3 4 0 -8.82412888363734 3770965 C1CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(C1)C3=CC=CC=N3 1 3.735 5 4 0 -5.75981970822207 3770927 CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C1=CC=C(C=C1)OC)OCC 1 2.83 1 5 -13.0268021982695 3770920 COC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC=CC=C2Cl 1 2.64 1 4 -8.70873673376096 3770898 CC1=C(SN=N1)NC(=O)OCC=C 1 1.162 3 2 0 -12.3874168013799 3770797 COC(=O)CC1=C(NC(=S)N1)C(=O)OC 1 8.4e-002 2 4 0 -10.4569105252948 3770795 C1C(OC(C1N=[N+]=[N-])N2C=CC(=O)NC2=O)CO 1 -0.576 5 4 0 -10.0101614377225 3770688 CN(C)CCCNC(=O)C1=CC(=CN1)C(=O)C2=CC(=CC=C2)OC 1 2.012 3 3 -6.36430507099838 3770669 C1=CC=C(C=C1)C2=CN=CN2C3=CC=CC=C3 1 3.309 2 0 3.24082394685025 3770655 CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)O 1 0.645 1 4 0 -9.63242470700693 3770645 COC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NNC(=O)CC4=CC=C(C=C4)OC 1 3.915 5 4 0 -16.9713464918089 3770639 CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C4=CC=CC=C4)C5=CC=CO5)Cl 1 5.06 3 3 -2.46902138993667 3770582 COC(=O)CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=CO3 1 2.909 1 4 -7.99075189743406 3770549 CC1=CC=C(C=C1)CON=CC2=C(N(N=C2C(=O)OC)C3=CC=CC=C3)Cl 1 4.734 3 3 8.17909512019969e-002 3770506 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)C 1 2.415 3 6 0 -3.89193038169909 3770471 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(O3)C4=CC=C(C=C4)Cl 1 3.649 4 2 -1.33215286527748 3770418 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCN(CC3)C 1 1.871 4 2 0 -3.20496755158015 3770359 CCOC(=O)C1=C2C=CC=CN2C=C1C3=CC(=CC=C3)[N+](=O)[O-] 1 3.142 2 4 -3.59812188792338 3770358 CC1=NC=C(C(=N1)C2=CC=CC=C2)N=NC3=CC=CC=C3 1 4.323 4 0 10.2474987544986 3770355 CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.504 1 4 2.54502441728587 3770346 CC(=O)NC1=C(N=C(S1)NN=CC2=CC=CC=C2F)C3=CC=CS3 1 3.159 4 1 -3.34370112994182 3770318 COC1=C(C(=C(C(=C1)[N+](=O)[O-])N2CCOCC2)[N+](=O)[O-])OC 1 1.435 3 7 0 -4.76276496876199 3770215 C1CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)O)O)C(=O)C1 1 4.328 1 3 -7.68611884047035 3770057 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)C5=CC=CC=C5NC(=O)C 1 4.967 3 4 0 -8.60447965851868 3770023 CC(=NNC(=O)CC1=CC=CC2=CC=CC=C21)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.193 3 4 0 -13.4541978558045 3770012 C1CC(OC1)CNS(=O)(=O)C2=CC(=C(N=C2)Cl)Br 1 1.571 2 3 0 -6.7326173746558 3770010 COC1=CC=CC=C1N2C=NC3=C(C2=O)SC4=NC(=C5CCCCC5=C34)N6CCOCC6 1 4.62 4 3 0 -10.9292102641671 3769982 CC(=O)OC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=C(C=C3)Cl 1 3.972 2 3 -4.33082695464978 3769957 CCOC(=O)C1C(C1C(=O)NN)C(=O)NC2=CC=CC=C2 1 -0.468 3 4 0 -4.60842319833612 3769934 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.558 3 2 -2.31115323313957 3769932 CC(C)C1=CC=C(C=C1)C(O)P(=O)(C2=CC=C(C=C2)N(C)C)OC(C)C 1 4.552 1 3 -5.27929477454006 3769831 CC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3 1 2.823 5 1 -8.28361840399547 3769822 COC1=CC=C(C=C1)N=C(NNC2=CC=C(C=C2)[N+](=O)[O-])P(=O)(N3CCOCC3)N4CCOCC4 1 1.454 6 6 0 -2.86787372783246 3769681 CCOC(=O)C(C)SC1=NC(=NC=C1OC)C2=CC=CC=N2 1 2.553 3 3 -4.95835270732562 3769650 CC(=O)OC1=C(C=C(C=C1)C(=O)OC2CC3CCC2(C3(C)C)C)OC 1 3.769 0 5 -9.0879663420401 3769640 CC1=C(N(C=CC1=O)CCC2=CNC3=CC=CC=C32)C 1 3.043 2 1 -3.26104765171067 3769559 CC1=CC=CC=C1CSC2=NNC(=N2)NS(=O)(=O)C3=CC=CC=C3 1 3.751 4 2 -10.3501377355237 3769558 C1=CC(=CC(=C1)OC2=NC=CN=C2)NC(=O)CCl 1 1.281 3 2 0 -5.16471072722059 3769533 CN1C(=C(SC1=S)C(=O)NC2=CC=CC=C2F)N 1 2.426 3 1 -6.36000638319771 3769494 C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C4=CC=CC=C4Cl)C5=CC=CC=C5 1 5.645 4 1 -7.26778376109665 3769487 CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC4CCCO4)C#N 1 4.115 4 1 -13.6555387825691 3769434 CN(C)C1=NC(=NC(=C1)NN=CC2=CC=C(C=C2)Cl)N(C)C 1 3.018 6 0 1.93065862366778 3769404 C1OC2=C(O1)C=C(C=C2)CNCC3=CC=CC=C3C(F)(F)F 1 3.661 1 2 2.74323483397464 3769314 CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)NNC(=O)CCCC(=O)O)C3=CC=CC=C3 1 2.661 2 8 0 -15.6457671634521 3769310 CC(C)C12CCC(O1)(C(C2)OC(=O)NC3=CC=CC=C3)C 1 3.143 1 3 -3.75167596005153 3769284 CC1=CC=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)F 1 5.491 3 1 -0.812203056701808 3769267 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4 1 0.733 3 6 0 -21.9092860425039 3769265 CCC1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)N=C(C=C3C)C)N 1 3.842 2 2 -4.92594286983912e-002 3769234 CC1=CC(=NC(=C1C#N)SCC2COC3=CC=CC=C3O2)C 1 3.871 2 2 -9.003255234548 3769227 C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC=CC=C4F 1 4.178 4 1 -1.00120333479032 3769157 CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN3CCN(CC3)C4=CC=CC=C4 1 2.223 4 2 -10.1169392049774 3769150 CC1CN(CC(O1)C)CC2=CC(=O)OC3=C2C(=CC(=C3C)C)C 1 3.834 1 3 -7.8928293772086 3769094 C1CCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=CC(=CC=C3)F 1 2.387 2 2 -6.33122020969776 3769030 CC1COC(O1)CN2C3=CC=CC=C3C4=CC=CC=C42 1 3.663 1 2 -3.17241225764164 3768999 CC1=CC=C(C=C1)S(=O)(=O)N2CC(C2)O 1 0.741 1 3 0 -9.99593371507752 3768930 C1=CC(=C(C(=C1)Cl)CN2C=C(C=C(C2=O)C#N)C3=CC=C(C=C3)Cl)Cl 1 4.776 2 1 -4.00865684322275 3768925 CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NN 1 -0.467 3 3 0 -7.74947073065519 3768908 COC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)N 1 2.233 4 2 -2.51682888315585 3768880 C1=CC=C(C=C1)CC(C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)NC(=O)OCC4=CC=CC=C4 1 5.896 1 6 0 -9.68130593744544 3768856 C1=CC(=CC=C1CC(=O)NCCCN2C=CN=C2)Br 1 1.625 3 1 0 -7.144811507962 3768842 CN(C)NC(=S)NC1CCS(=O)(=O)C1 1 -0.193 3 2 0 -14.4294172673511 3768800 CCOC(=O)CSC1=NNC(=N1)NC(=O)NC(C)C 1 1.092 5 3 0 -19.2445422730185 3768777 CC(C)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NNC(=O)C3=CN=CC=C3 1 1.285 4 3 0 -9.36076052128477 3768740 C1=CC(=CC(=C1)OC2=NC=CN=C2)N 1 0.881 3 1 0 1.8115300062331 3768734 CC1=CC=CN2C1=NC(=C2C=NOCC3=CC(=CC=C3)F)C4=CC=C(C=C4)Cl 1 5.751 3 1 5.42559387433861 3768715 CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.755 4 5 0 -0.563742686912627 3768707 C1C(C2=CC3=C(C=C2C(=O)N1)OCO3)NC(=O)C(F)(F)F 1 0.869 2 4 0 -7.69806132448848 3768686 CC(=O)N1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC=C(C=C3)Cl 1 3.631 3 2 1.76275297794939 3768670 CCCCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC(=C2)C)C)Br 1 3.034 4 3 0 -16.7586926647018 3768655 CC1C2(C(=N)OC(O1)(C(C2(C#N)C#N)C3=CC=CC=C3)C)C#N 1 1.177 4 2 0 -2.31676925188063 3768609 CN1C=CSC1=NC(=O)NC2=CC(=CC=C2)Cl 1 2.283 3 1 -4.41400446341688 3768601 C1=CC(=CC(=C1)Cl)CON2C3=C(N=CC=C3)N=C2C4=C(C=C(C=C4)Cl)Cl 1 3.805 3 1 4.29249328681882 3768460 CCOC(=O)CCP(=O)(C(C1=CC=CC=C1)O)O 1 1.158 0 5 0 -10.0663724654845 3768472 CCCCSCC1=C(NC(=O)N1)C(=O)CCCCC(=O)OCC 1 1.99 2 4 0 -19.2601981343164 3768424 CCOC(=O)C1CCCN(C1)C(=S)NC2=CC(=CC(=C2)C)C 1 4.831 2 2 -14.7709678419853 3768363 C1=CC=C(C(=C1)N)SC2=C(N=CC(=C2)C(F)(F)F)C#N 1 3.3 3 0 -1.49819563355491 3768360 CCCC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 2.341 4 5 0 -13.5555381902355 3768345 CC1=CC=C(C=C1)C=NN2C(C(SC2=S)(C)C)N(C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O 1 5.207 5 4 0 -5.47992987111733 3768297 COC1=CC=C(C=C1)CN(CCC(C2=CC=CC=C2)C3=CC=CO3)C(=O)C4=CC=CO4 1 5.035 1 4 -11.2210152498243 3768281 CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CN=CC=C3 1 2.928 2 2 -2.74190923314069 3768236 CC(C(=O)C1=CNC2=CC=CC=C21)N3CCOCC3 1 2.041 2 2 -4.10453786056024 3768208 COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NC3=CC=CC=C3)OC 1 2.914 1 4 -6.55863201100315 3768167 CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)OC7C(C(C(C(O7)O)O)O)CO)C)NC1 1 1.652 1 8 0 -18.2392106400216 3768163 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4Cl 1 6.243 2 4 -4.75453871372861 3768160 C1CC2=CC(=O)N(N=C2C3=CC=CC=C31)CC4=CC(=CC=C4)[N+](=O)[O-] 1 3.692 3 3 -3.89247181473412 3768096 COC1=CC=CC=C1C2CC(=O)N3C(=C(N=C3S2)C4=CC=CC=C4)C5=CC=CC=C5 1 6.077 2 2 -0.164570197514061 3768054 CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-] 1 1.225 2 5 0 -22.3353329262436 3767994 CCOC(=S)SCC(=O)N1CCC2=CC(=C(C=C2C1C3C(=O)CC(CC3=O)(C)C)OC)OC 1 3.89 1 6 0 -20.9286926823468 3767979 C1CCC2=C(C1)C(=C(S2)NC(=O)CCC3=CC=CC=C3)C(=O)O 1 3.905 1 3 -14.5902030365923 3767976 CC(=NNC1=NC2=CC=CC=C2S1)C3=CC=CS3 1 3.37 3 0 -0.728032885115117 3767972 COC1=CC=C(C=C1)C(C#N)C2=NC3=CC=CC=C3N=C2Cl 1 3.988 3 1 3.16349964611851 3767937 C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C(=C(C(=N4)N)C#N)C5=CC=C(C=C5)Cl)C#N 1 5.63 4 1 -3.59643514569005 3767936 COC(=O)C(C1=CC=C(C=C1)NC(=O)NC2CCCCC2)(C(F)(F)F)O 1 3.012 2 4 -9.77479891290674 3767865 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O 1 3.583 4 7 0 -7.50154563683332 3767827 CCCCCC(=O)NC1=C(C=C2C(=CC(=O)NC2=C1)COC)C 1 2.658 2 3 -16.9178103375137 3767821 CCCCCCCC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C3=O)NC(=S)N2 1 6.53 2 1 -16.779187023164 3767720 C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCC3=CN=CC=C3 1 2.26 3 2 -8.5753881465741 3767732 C1=CC=C2C(=C1)C(=CN2CC(=O)N)C=C3C(=O)NC(=O)NC3=O 1 0.217 4 4 0 -8.49724222755274 3767612 CC1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)COC3=CC(=C(C=C3)C)C 1 3.824 2 3 -2.95773627320114 3767572 CC1=C2CC(OC2=C(C=C1)NS(=O)(=O)C3=CC=CC=C3)(C)C 1 3.444 1 3 -8.6224188601514 3767571 CCOC(=O)C(=CC1=CC=C(C=C1)N2C=NC=N2)C(=O)OCC 1 2.208 3 4 0 -3.25932881114159 3767569 C1=CC(=C(C=C1CNC2=NC=CN=C2)Cl)Cl 1 2.316 3 0 0.848185603152356 3767568 C1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=NC=CS3 1 2.589 3 1 -8.63472513711679 3767566 C1=CC2=NC3=C(C=C(C(=N)N3CC4=CN=CC=C4)C(=O)NCC5=CC=C(C=C5)F)C(=O)N2C=C1 1 1.476 6 2 0 -21.4614776535961 3767560 CCC(C(=O)OC1=CC(=CC2=C1C3=C(CCC3)C(=O)O2)C)NC(=O)OC(C)(C)C 1 4.773 1 6 0 -21.0931120827545 3767555 C1CCN(CC1)C2=C(C=C(C=C2)N)S(=O)(=O)NC3=CC=CC=C3Cl 1 3.314 3 2 0.719908827369686 3767533 C1=CC=C(C=C1)COC(=O)NC(C2=CC=C(C=C2)Cl)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4 1 6.888 1 5 -3.44498333618396 3767524 CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCC2CCCO2 1 2.563 2 3 -11.1297461460451 3767520 CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CSC3=CC=CC=C3)F 1 3.333 3 1 -1.90560076787939 3767519 CC1=C(C(=CC=C1)C)OC2=NC(=NC=C2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 5.845 2 3 -2.0700302435499 3767405 CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5 1 4.834 3 1 -9.70139028414254 3767351 CC1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)C(F)(F)F 1 3.053 2 2 -9.96847409461153 3767307 CC1CCSP(=O)(O1)OC2=CC=CC=C2 1 2.415 0 3 -2.48535026494786 3767281 CNC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N 1 3.035 2 1 -9.97550372322955 3767276 CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)C(F)(F)F 1 1.504 2 4 0 -22.4485726038592 3767275 CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)OC 1 0.248 2 6 0 -29.7754818571879 3767274 CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 1.207 2 5 0 -25.4417316434553 3767273 CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 -0.615 3 6 0 -33.6055220894566 3767272 CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl 1 1.593 2 5 0 -27.9573135806178 3767271 CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=C(C=C(C=C2)Cl)Cl 1 1.593 2 5 0 -24.5547800483938 3767270 CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl 1 2.258 2 5 0 -25.9157736988404 3767269 C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)CS(=O)(=O)CC(=O)O 1 0.846 1 5 0 -7.67650907535028 3767185 CCCCCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C 1 3.018 4 2 -9.13038393408593 3767092 CC(C)OC(=O)C1=CC2=NC3=CC=CC=C3N=C2C=C1 1 3.641 2 2 -5.28138082478862 3767066 CCCCCC1CCC(CC1)C(=O)NNC(=S)NCC 1 4.307 3 1 -12.6030706603024 3767052 C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=CC=C3 1 2.905 6 2 0 -3.40847824110835 3767016 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N 1 2.196 3 2 -12.7367235893431 3766982 CC(C)CC(=O)C1=CNC(=C1)C(=O)NCC2=CC=CS2 1 2.861 2 2 -9.601085235997 3766962 COC1=C(C=C2C(=C1)CCN=C2CCC3=CC=CC=C3)OC 1 4.027 1 2 -6.45611473963136 3766914 CNC(=O)C1=CC=C(S1)C2=CC(=C(C=C2)Cl)Cl 1 4.13 1 1 -3.66082323499428 3766902 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)CN5C=C(C=N5)[N+](=O)[O-] 1 4.342 5 4 0 -17.0216180000406 3766818 CCC(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)OC 1 4.376 0 4 -4.67920208932575 3766738 CC(=NNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.78 3 4 0 -20.2755847260728 3766734 CCOC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.856 3 3 -2.31246066658033 3766637 CC1=NC(=NC2=C1CCC2)N3CCN(CC3)CC4=CC=CC=C4 1 3.002 4 0 2.04158250012467 3766606 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCC(=O)NN=C(CCC(=O)O)C3=CC=CC=C3 1 3.098 3 4 0 -21.2180467248778 3766595 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)O 1 1.483 2 5 0 -21.7083653403036 3766543 CC1CC(=O)C=C(C1C(=O)OC)O 1 0.415 0 4 0 -6.69727565966461 3766467 C=CCOC(=O)C1=CN=C(C=C1)N2C=NC=N2 1 1.233 4 2 0 -13.6555709188857 3766432 CC(C)C1=CC=C(C=C1)C2C(=C(N3C4=CC=CC=C4SC3=C2C#N)N)C#N 1 5.044 4 0 -4.54773822246391 3766420 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C 1 3.934 4 4 0 -12.0091133605519 3766398 COC(=O)C1=C(SC2=C(C1C3=CC=CC=C3O)SC(=O)N2)C(=O)OC 1 2.269 1 6 0 -6.53257316598209 3766370 CC1=C(N(C(=C1C#N)NC(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C 1 4.132 3 1 -11.6661760272043 3766201 CC1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)OC(=O)C 1 1.878 2 4 0 -15.4981013357286 3766188 COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)N)CC3=CC4=C(C=C3)OCO4 1 2.66 3 5 0 -4.88572163834105 3766166 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N)O 1 0.888 3 7 0 -24.6019526736986 3766043 C1CN(CCN1CC(COC2=CC=CC=C2)O)C3=NC=CC=N3 1 1.193 4 2 0 -0.243615650552941 3765969 CCC(C)NC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)CC 1 2.658 4 2 -6.02498764926897 3765929 CC1(OCCO1)C2=CC3=C(ON=C3C=C2)C4=CC(=CC=C4)OC 1 3.044 1 4 2.26922169362882 3765924 CCSC1=NSC(=N1)NC(=O)NC2=C(C=C(C=C2)F)F 1 3.215 4 1 -4.255330176311 3765921 CCSC1=NSC(=N1)NC(=O)NC2=CC(=CC=C2)F 1 3.01 4 1 -1.64715332390928 3765920 CCSC1=NSC(=N1)NC(=O)NC2=CC=CC=C2F 1 3.01 4 1 -5.82024896148245 3765814 CCC1=CC=C(C=C1)C2=CC3=CC(=C(C(=O)N3C2)C#N)C 1 3.039 2 1 -3.73320798337182 3765754 CC1=CC=C(C=C1)NCN2C(=O)C3CC=CCC3C2=O 1 2.36 2 2 -4.68991358948588 3765732 CC1=C(SC=C1)C=NNC(=O)CC2C(=NNC2=O)C 1 0.644 4 2 0 -16.187581260396 3765730 CC1=C(C2=CC(=C(C=C2N1C3=CC=CC=C3)Br)OC)C(=O)N4CCN(CC4)C 1 4.154 3 2 -2.20595230654052 3765716 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NN=CC3=CC=NC=C3 1 -0.298 7 3 0 -21.0484142194655 3765674 CN(C)C(=C(C#N)C#N)CC=NOCC1=C(C(=CC=C1)Cl)Cl 1 2.973 4 1 -3.4550146650396 3765656 CC(=O)NC(C(=O)NCC1=CC=CC=C1OC)C(=O)NC2=CC=C(C=C2)OC 1 0.969 3 5 0 -14.7584129234293 3765655 CC(=O)NC(C(=O)NCC1=CC=CC=C1Cl)C(=O)NC2=CC=C(C=C2)OC 1 1.65 3 4 0 -13.7636011626122 3765654 CC(=O)NC(C(=O)NCC1=CC=C(C=C1)OC)C(=O)NC2=CC=C(C=C2)OC 1 0.969 3 5 0 -13.2262806743463 3765615 CC1(CC(=O)C(C(=O)C1)C2C3=CC=CC=C3OC4=C2C(=O)CC(C4)(C)C)C 1 3.184 0 4 -11.030112397446 3765596 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC(=C(C=C5)OC)OC 1 3.663 2 7 0 -20.1481075636409 3765563 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCCC3 1 3.375 2 2 -7.91963036903001 3765547 CC1=CC(=NC(=C1C(=O)N)NC(=O)NC2=CC=CC=C2Cl)C 1 2.346 4 2 -6.93133938071785 3765529 CN(C)C1=CC=C(C=C1)P(=O)(C(C2=CN=CC=C2)NC3=CC=CC=C3)OC4CCCCC4 1 5.336 3 2 -11.3072160444474 3765524 CCCOP(=O)(C1(CCCCC1)NC2=CC=C(C=C2)C)OCCC 1 4.673 1 3 -3.5277302365003 3765476 CCC1=CC=C(C=C1)N2C(=O)C3C(N4CCCN4C3C2=O)C5=CC=CC=C5 1 2.494 3 2 2.64462345462625 3765408 C1CC(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)F)N3C(=O)C4C5CCC(C5)C4C3=O 1 3.285 1 5 -16.5278494981663 3765383 C1C=CCC(C1C(=O)N)C(=O)OCC(=C(Cl)Cl)Cl 1 1.986 1 3 0 -2.20847702722587 3765349 C#CCOC(=O)C1=CN=C(C=C1)N2C=NC=N2 1 1.808 4 2 0 -11.2954777083995 3765348 COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CN2CCCC(C2)C(=O)N 1 1.262 3 5 0 -2.3462686158415 3765329 C1COCCN1C(C#N)(C2=CC=CC=N2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.166 4 1 3.57759967342093e-002 3765320 C1COCCN1CCC2=CN=C(N=C2C3=CC=C(C=C3)F)NC(=S)N 1 2.585 5 1 0.931236171363787 3765316 C1CC(OC1)COC2=CC=C(C=C2)C(=O)O 1 1.802 0 4 0 -7.22308817805531 3765310 C1=CC=C(C=C1)C2=CN3C(=N2)C4=CC=CC=C4C(=N3)N 1 2.75 4 0 1.91480392775691 3765222 CNC1=NC(=NC2=C1SC=C2)SCC=C 1 2.896 3 0 -7.00678717566677 3765136 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC(=C5)C(=O)NC6=CC=CC=C6 1 2.603 2 3 -10.3391679074893 3764964 CCN(CCO)C1=NC=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)CC(C)C 1 3.599 4 2 -10.2805826041683 3764897 C=CCNC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2 1 1.804 3 3 0 -14.339624217828 3764896 C1=CC=C2C=C(C=CC2=C1)C(CNC(=O)C3=C(C=CC=C3F)F)Cl 1 4.634 1 1 -3.110293163186 3764835 CC1=NC2=C(C=C(C=C2)C(=O)O)C3=C1CC(O3)CN 1 -1.293 2 3 0 -2.44439554585052 3764790 CN1CCC2=CC3=C(C(=C2C1CC(CC4=CC=CC=C4)O)OC)OCO3 1 3.215 1 4 -4.8668331098248 3764785 CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)S(=O)(=O)CC)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.056 1 7 0 -17.7346294073331 3764768 CCCC(=O)C1=C(CCCC1=O)NCCCCCC(=O)O 1 2.168 1 4 -17.6788985659292 3764715 CC1=CC(=C(C=C1)O)CN2C3=CC=CC=C3N=N2 1 3.468 3 1 -0.415511246415727 3764701 CC1=C2CN(CCN2C3=CC=CC=C13)C 1 2.785 2 0 2.89887906636036 3764692 CCOC(=O)C1=C(N2C(=O)C(=C3C4=CC=CC=C4N(C3=O)C(=O)C)SC2=NC1C5=CC=C(C=C5)OC)C 1 3.341 3 6 0 -11.8623896944912 3764687 COC1=CC=C(C=C1)C2CC(=CC(=O)C2)O 1 1.886 0 3 0 -3.38821397317991 3764618 CC1=C[N+](=CC(=C1OC2=CC=CC=C2)C)[O-] 1 2.367 1 2 1.97695612026619 3764604 CCCCC1=C2CCCCC2=C3C4=C(C(=O)N=CN4)SC3=N1 1 4.327 3 1 -7.53397000483146 3764571 CC1(CC2=C3C(=C(SC3=NC(=C2CO1)N4CCOCC4)C(=O)NC5=C(C=C(C=C5)OC)OC)N)C 1 2.887 4 5 0 -18.760838292189 3764566 CC1=CC(=NC(=N1)NN=CC2=CC=CC=C2OCC3=CC=C(C=C3)Cl)C 1 4.35 4 1 -0.186106642434635 3764428 CCN(CC)C(=O)OC1=CC=C(C=C1)OC(=O)N(CC)CC 1 3.164 2 4 -6.66817086811235 3764386 CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.07 2 2 -2.14649992112034 3764335 CCCCC1CC(OC1=O)C(=NNC(=O)N)C 1 1.044 3 3 0 -9.35684603984963 3764211 COC1=CC=C(C=C1)C=C2C(=O)N(C(=C(C#N)C(=O)NCC3=CC=CO3)S2)C4=CC=CC=C4 1 3.758 3 4 0 -11.895300320975 3764206 C1=CSC(=C1)C=NNC2=NC(=CS2)CCl 1 2.577 3 0 -1.36161801468126 3764187 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)C5CCCC5 1 2.781 4 3 0 -23.2328939955998 3764185 CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C=C3)OC)OC)CCCN4C=CN=C4)O 1 1.447 4 5 0 -20.32648415898 3764070 COCCN(CCOC)C(=O)CC(=O)N(CCOC)CCOC 1 -1.35 2 6 0 -7.76268130535393 3764005 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CC2=CNC3=CC=CC=C32 1 2.962 3 4 0 -10.0537076550779 3763992 CCCNC(=O)C1=NN(C(=N1)C)C2=CC(=CC(=C2)Cl)Cl 1 3.144 4 1 -2.8784216601046 3763981 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)CSC5=CC=CC=N5 1 5.933 3 2 -14.6805084120058 3763975 C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2Cl)C3=NC(=NO3)C4=CC(=CC=C4)Cl 1 4.039 3 3 1.20083353045923 3763974 CCCN1C(=O)N(C(C1(C)C)N(C(=O)NC)O)C 1 0.455 4 3 0 -7.90216066552635 3763936 CC1=CC2=C(N1)C=CC=C2OCC(CNCCCOC)O 1 1.276 2 3 0 -5.81825386198427 3763920 C1=CC=C(C(=C1)C(=O)O)NC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.985 4 6 0 -5.02028842556502 3763904 C1=CC2=C(C=CC(=C2N=C1)NCCCNC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-] 1 3.97 6 6 0 -1.91631643579493 3763902 CC(C)CC(CC(C)O)C(=O)NNC(=S)NCC=C 1 2.273 3 2 -13.7558943749805 3763898 CC1=C(C=C(C=C1)N2C(=O)CS(=O)C(C2=O)C3=CC=CC=C3)C 1 2.687 1 3 -2.05761342353289 3763897 CN(C)C=NC(=O)C1=CC(=CN1)C(=O)C2=CC=C(C=C2)Cl 1 2.663 3 2 -1.28005669903152 3763859 CC1=NN(C(=O)N1C2=CC(=CC=C2)F)CCOC3=CC=CC=C3 1 3.035 3 2 -1.31177415674302 3763781 C1CN(CCC1=O)C2=C(C=C(C=C2)[N+](=O)[O-])F 1 1.856 2 3 0 -0.424862344957197 3763775 CN1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CC=C4 1 1.678 3 4 0 -1.64054227130574e-002 3763720 CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)N3C(=O)CCC3=O 1 2.925 2 3 -9.72207636571328 3763617 CC(C)COC(=O)C1=CC=CC=C1N2C(=O)C3C4CCC(C4)C3C2=O 1 3.179 1 4 -8.88398054840655 3763609 CN1C2=C(C3C(COC4=C3C=CC=C4OC)CO2)C(=O)N(C1=O)C 1 1.264 2 5 0 -11.8249967626805 3763605 CC1=CC=C(C=C1)S(=O)(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4 1 4.424 1 3 -4.45256474189541 3763603 C1C2C1C(N(C2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl)C(=O)O 1 1.794 1 6 0 -8.37232110131396 3763562 COC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)COC5=CC=CC=N5 1 5.153 3 4 0 -10.3204792229907 3763524 C1=CC(=CC(=C1)CN2C(=C(SC2=O)C=O)Cl)C(=O)O 1 2.113 1 4 -0.132886466254539 3763520 C1C(OC2=C1C(=C(C(=N2)N)C#N)N)COC3=CC=CC=C3 1 1.862 4 2 0 -3.49487637933041 3763519 CC1=NC(=C(C(=N1)N)CC2=CC=CC=C2F)N 1 1.772 4 0 0 -3.56193558193627 3763506 COC(=O)C1=C(C=NC=C1)C(=O)NC2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.874 3 4 0 -8.84643846987484e-002 3763440 COC(=O)C(CC=C)(C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C(=O)OC 1 3.327 1 6 0 -5.03938869441769 3763388 C1CN(CCN1)C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4 1 2.819 4 0 6.08140562991413 3763336 CC1C(=O)NC2=CC=CC=C2N1C(=O)C3=C(C=C(C=C3)F)F 1 2.522 2 2 -9.87530972364849 3763332 CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F 1 2.445 4 1 3.53348306422872 3763290 CC(C)N(C(C)C)C(=O)C(=O)C1=CC=CN1C2=CC=CC=C2C#N 1 3.628 3 2 -5.65543779600974 3763288 CC1=C(C=CC(=C1)NS(=O)(=O)N(C)C)C(C)C 1 2.012 2 2 -2.30568890493427 3763277 C1CCC(=O)NC2=C(C1)SC(=C2[N+](=O)[O-])Br 1 2.182 2 3 -5.86062994555061 3763237 CCOC1=CC=C(C=C1)N2C=NC3=C(C2=O)SC4=NC(=C5CCCCC5=C34)N6CCOCC6 1 4.969 4 3 0 -11.6972996624108 3763188 CCOC(=O)CC1C2C(C(ON2OC1C(=O)OCC)C(=O)OC)C(=O)OCC 1 -0.211 1 10 0 -10.3731408487288 3763179 CCOP(=O)(C(=NOC(=O)C1=CC=C(C=C1)OC)C(=O)N)OCC 1 0.663 2 7 0 -3.51055655988855 3763139 C1CCC(CC1)OP(=O)(C(C2=CN=CC=C2)NC3=CC=CC=C3)OC4CCCCC4 1 5.301 2 3 -9.02791298277831 3763044 CN1C2=C(N=C1NCC(CO)O)N(C(=O)N(C2=O)CC3=CC(=C(C=C3)Cl)Cl)C 1 1.64 5 4 0 -7.31050303001896 3763028 CC1=CC2=C(C=C1)NC(=O)C(N=C2C3=CC=CC=C3)OC(=O)C 1 3.045 2 3 -7.14049750403718 3762987 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(NC2=O)C)C 1 1.929 1 3 0 -13.9440999286829 3762986 C1=CC=C(C(=C1)CN2C(=CC=C(C2=O)C(=O)N)C(F)(F)F)Cl 1 2.264 2 2 -2.88534527209272 3762985 CC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)F 1 2.757 2 1 -12.7917476742653 3762945 C1CN(CCN1C2=CC=CC=C2)C(=S)SCC(=O)NC3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5 1 6.666 4 2 -0.754188220830438 3762817 CN1C=CSC1=NC(=O)NC2=CC=CC=C2 1 1.619 3 1 0 -7.31952785849567 3762795 CC1=CC=C(C=C1)C2=NC(=CS2)CCNC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-] 1 4.302 3 4 0 -5.20611340405065 3762794 C1COCCN1CC2=C(N=C3N2C=CC=C3)C4=CC=C(C=C4)Cl 1 3.158 3 1 0.160473622499545 3762766 COC(=O)C1=C(C=CS1)NC(=O)CNC(=O)C2=CC=CC=C2 1 1.483 2 4 0 -16.1704317145966 3762762 C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-] 1 4.125 2 3 -0.817718404113163 3762735 CCOC(=O)C1C(C2CCCCN2O1)(C(F)(F)F)O 1 1.073 1 4 0 -3.36835554677988 3762732 CC1CC(=NO)C(CN1)C 1 0.455 2 1 0 0.18054025458171 3762724 C1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC=C(C=C2)C#N)O 1 2.356 1 4 -9.82363180127137 3762723 CC1=CC=C(C=C1)C(=O)ON=CC2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-] 1 4.604 3 4 0 -0.822017470016866 3762695 COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC)OC 1 5.22 2 5 0 -16.5780091220292 3762689 CC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=C(C=C2)N(C)C)C3CCS(=O)(=O)C3)C 1 3.305 2 4 -16.2704913521636 3762662 CN(C)S(=O)(=O)OC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2Cl 1 2.428 2 4 -9.96354790349665 3762661 CN(C)S(=O)(=O)OC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)Cl 1 2.428 2 4 -7.77186352487107 3762660 CN(C)S(=O)(=O)OC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)Cl 1 2.428 2 4 -8.13512905258864 3762643 COC1=CC=CC=C1NC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.412 3 4 0 -9.44708115381983 3762612 C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OC5=CC=CC6=C5N=CC=C6 1 3.75 2 4 -13.7383093755057 3762591 C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4 1 1.634 3 4 0 -7.74626513222804 3762528 CCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CO4)N 1 2.645 5 2 0 -15.2808419745401 3762504 CC(=NNC(=O)CNC(=O)C1=CC=CS1)C2=CC(=C(C=C2)Cl)Cl 1 3.005 3 2 -12.7494997059069 3762482 CC1=CC=C(S1)S(=O)(=O)N2CCCC2C(=O)O 1 0.956 1 4 0 -8.72271501124892 3762469 COC1=CC=C(C=C1)S(=O)(=O)N2CC3CCCN3C4=C2C=C(C=C4)C(F)(F)F 1 3.919 2 3 -3.09291988916388 3762450 CC(C)C(C(=O)O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-] 1 1.146 3 7 0 -27.5772215734157 3762447 C1=CC=C(C=C1)C(=O)CC(C(=O)O)NC2=C(C=C(C=C2)Cl)Cl 1 4.088 1 3 -6.51674717308122 3762410 COC1=C(C=C(C=C1)C=O)OC2=NC(=CC(=N2)OC)OC 1 2.92 2 5 0 -10.3117207273356 3762378 CC(C)(C)N1C(=O)C2=CC=CC=C2NC(=O)N1CC3=CC(=CC=C3)OC 1 2.86 3 3 -4.01267398063727 3762372 CC1=CC=C(C=C1)CONC=NC2=NC=CC(=C2C#N)OC 1 2.298 4 2 -1.18929876270768 3762369 CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CCl 1 3.124 1 3 -9.27086428782934 3762357 CCOC(=O)CSC1=NNC(=N1)NC(=O)C 1 0.37 4 3 0 -12.6244788089964 3762356 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)OC3=NC=CN=C3 1 2.602 3 3 -1.6945289875681 3762355 CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)OC4=NC=C(C=C4)C(F)(F)F 1 5.25 3 2 3.78164569984276 3762343 CN1C=CC=C1C(=O)C(=O)NC2=CC=CC=C2C(F)(F)F 1 3.033 2 2 -5.27143016691742 3762337 CC(C)(C)NC1=NC(=NC(=N1)NCCN2CCOCC2)Cl 1 1.273 6 1 0 -8.42248263155396 3762253 CC1=NC(=C(O1)NN=CC2=C(C=CC=C2Cl)F)C#N 1 2.908 4 1 -7.38717669931814 3762210 CCCC1=CC(=O)N=C(N1)N2C(=O)C3=C(N2)CCCC3 1 1.643 4 2 0 -13.0243621285981 3762162 COCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CO4)N 1 1.704 5 3 0 -17.335761752575 3762160 CC1=C(C(=NC(=N1)N2CCOCC2)OCCN(C)C)[N+](=O)[O-] 1 0.64 5 4 0 -1.70212084216754 3762102 CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)NCCCO)C)C 1 2.201 3 2 -4.85623501516767 3762029 C1CCN(CC1)C23C(CCCNC2=O)C4=C(C(=C(C=C4O3)Br)O)Br 1 3.885 2 3 -7.85639395664358 3762016 CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(S3)Cl 1 3.685 2 2 -12.8994942311357 3761873 CC1=C(C(=NC(=N1)N2CCOCC2)OCCN3CCOCC3)[N+](=O)[O-] 1 0.328 5 5 0 -0.136137373418405 3761826 CCOC(=O)C(C)SC1=C(N=NS1)C 1 1.863 2 2 0 -11.3560189045903 3761823 CCCCOC1=NN=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)N5CCOCC5 1 3.635 5 3 0 -15.4612037855047 3761737 CCOC(=O)C1=CC=CC=C1N2C(=NN=N2)C 1 1.181 4 2 0 -12.3163019076214 3761735 CCN(CCNP(=O)(OCC)OCC)CP(=O)(OCC)OCC 1 0.366 2 6 0 -6.2617167412052 3761725 C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3 1 3.344 3 4 0 -0.683370384491093 3761719 COC(=O)C1=C(C2=CC=CC=C2S1)N3C=CC=C3C(=O)C(=O)NC4=CC=C(C=C4)Cl 1 5.341 2 4 -0.602192250579076 3761713 CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=CC(=C3)OC)OC)C(=O)NC4=NC5=CC=CC=C5S4 1 3.631 3 4 0 -31.9357899952114 3761688 C1COC2=CC=CC=C2C13C(=O)N(C(=O)N3)CC(=O)O 1 7.3e-002 2 5 0 -7.91824896066337 3761687 CC(=O)NC1=CC=C(C=C1)SCC(=O)O 1 0.973 1 3 0 -8.71195718462437 3761651 CC(C)(C)N(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)F 1 3.682 2 2 -2.78494580538982 3761611 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 2.069 4 4 0 -17.1641416660404 3761604 C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.566 4 3 0 -4.18597251980805 3761563 CC(C1=NC(=O)C2=CC=CC=C2N1)N3CCOCC3 1 1.007 3 2 0 -6.68209436825319 3761548 C1CC(OC1)CNC2=NC3=CC=CC=C3S2 1 2.15 2 1 -1.64020013361281 3761483 C1COCCN1CCCN2C3=C(C=C(C2=N)C(=O)NCCN4CCOCC4)C(=O)N5C=CC=CC5=N3 1 -1.031 7 4 0 -26.1087953447115 3761402 CC1=CC=CC2=C1N(CCC2)N=O 1 2.684 2 1 -1.00255245231787 3761381 C1=CC2=C(C=CN2)C(=C1)NC(=S)N 1 2.374 3 0 -4.03019959010593 3761375 CC1=C2CCN(C2=NC(=N1)SC)C3=CC=C(C=C3)C(C)C 1 4.323 3 0 -0.526811785340099 3761339 CCOC(=O)C1=C(SC=C1CC(C)C)N 1 2.724 1 2 -0.589887323725495 3761332 C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O 1 2.747 3 7 0 -16.5404218050723 3761317 CC(CNC(=O)COC1=CC=CC=C1)OC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.991 2 4 -7.13462507208988 3761263 CC(C)CN(CC(C)C)C(=S)SC(C(Cl)(Cl)Cl)NC(=O)C 1 5.577 2 1 -11.5644894128029 3761241 CC(=NNC(=O)OC(C)(C)C)C1=CC(=C(C=C1)OC)[N+](=O)[O-] 1 2.452 3 5 0 -13.0823775851219 3761177 COC1=C(C=C(C(=C1)C#N)N=C(N2CCOCC2)SCC#N)OC 1 1.882 4 3 0 -9.93642782497883 3761160 CC1=CC(=NC=C1)NC(=O)CC(=NNC(=O)C(=O)NC2=C(C=C(C=C2)OC)OC)C 1 1.063 5 5 0 -12.0986317318977 3761060 CC1=CC=C(C=C1)CONC(=O)N=CN(C)C 1 1.456 3 2 0 0.781592816770688 3761053 CC1=NC(=C(N1)[N+](=O)[O-])SCC(=O)NN=C(C)C2=CC=C(C=C2)F 1 1.968 5 3 0 -12.7441707244795 3761034 C1CN(CCC1OC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.362 2 4 -6.47439136950354 3761008 CC1(CC(C2=CC=CC=C2N1C(=O)CN3CCN(CC3)C)(C)C4=CC=CC=C4)C 1 3.723 3 1 -8.73002740649737 3760931 C1=CC(=CC=C1C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N)Cl 1 3.91 2 1 2.9575456035347 3760929 CC(C(=O)C)OC1=CC=C(C=C1)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.317 1 2 -7.66435883918654e-002 3760841 CN(C)C=NC1=C(C(C2=C(O1)C3=CC=CC=C3C=C2)C4=CC=C(C=C4)Br)C#N 1 4.927 3 1 -2.38159288862097 3760804 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)O 1 1.22 1 5 0 -15.5062474778809 3760608 CC1CCCC(=NNC(=O)COC2=C(C=C(C=C2)Cl)Cl)C1 1 3.824 2 2 -6.47510882280245 3760605 C1C(C(N(O1)CC2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.982 1 3 -2.74510083298749 3760524 C1=CC=C(C(=C1)C(=O)C2=CNC(=C2)C(=O)N)Cl 1 2.285 2 2 -1.63140056023826 3760483 CC(=NNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C)C 1 1.884 6 2 0 -10.9688866569211 3760481 C1COCCOCCOCCN1C(=O)CCCCC(=O)OCC2=CC=CC=C2 1 1.572 1 6 0 -16.3656710735716 3760306 CCCCN1C(=O)N(C(CC1(C)C)(C)O)C2=CC=CC=C2Cl 1 3.607 2 2 -2.20516681186393 3760294 CC1=CC=C(O1)C(=O)NC(C)C2=CC=CC=C2 1 2.539 1 2 -6.57277959116431 3760278 CC1=C(C2(CCCCC2)C(C(=S)N1)C(=O)N)C(=O)NC3=CC=C(C=C3)Cl 1 3.149 3 2 -7.8992039608018 3760271 CC1=C(N2C=C(C=CC2=N1)Cl)C(=O)C 1 1.685 2 1 0 -2.19768985351345 3760265 CC1=NC(=NC=C1C(=O)C)SCCN2C(=O)C3=CC=CC=C3C2=O 1 1.817 3 3 0 -9.27722912365535 3760263 CC1=NC(=NC=C1C(=O)C)SCC2=CC=C(C=C2)Cl 1 3.384 2 1 -6.60719017923924 3760251 CCOC(=O)COC1=C(C2=C(C=C1)C(=CC(=O)O2)C)C(=O)C3=CC=CC=C3 1 3.789 0 6 -11.2230666650604 3760249 C1CCN(CC1)CC(CN2C3=C(C=C(C=C3)Br)C4=CC=CC=C42)O 1 4.822 2 1 8.95011617159369 3780777 CC1CC(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)OC 1 1.939 2 4 0 -14.0505003241238 3780774 CC(C)C1=CC=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC=CO2 1 3.194 1 4 -8.05930403586094 3780758 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC(=CN4C3=O)C)N(C2=N)CCC5=CC=CC=C5 1 3.73 4 3 0 -21.2145416977221 3780724 C1=CC(=C(C=C1F)C=NNC2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F)F 1 5.306 4 0 3.19645407349442 3780680 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6 1 2.571 2 5 0 -12.7959580775495 3780551 C1=CC=C(C(=C1)C2=CN=CO2)Br 1 2.285 1 1 0.275374044059487 3780389 CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-] 1 3.27 3 6 0 0.747004190060046 3780377 CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.036 4 3 0 -12.8943187120588 3780371 COC1=CC=C(C=C1)C2=CSC(=N2)N=C(N)N 1 1.076 4 1 0 7.17703023947762 3780367 C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(C=CS2)N3C=CC=C3 1 2.404 3 3 -11.8664429618452 3780301 CC1=C(C=C2C(=O)C3=C(C=CC(=C3)Cl)OC2=N1)C(=O)O 1 2.929 1 4 1.93771238308758 3780285 CN1C2=C(C=C(S2)C3=NN=C(N3C)SCC#C)C(=N1)C(F)(F)F 1 4.652 5 0 -6.39015894241887 3780284 CC(CS(=O)(=O)CC1=CC=CC=C1Cl)(C(=O)NC2=CC=CC(=C2)C(F)(F)F)O 1 3.513 1 4 -2.9099252538101 3780273 CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N3CCN=C3S2 1 1.554 3 4 0 -14.7878661267086 3780247 C1=CC2=C(C=CN=C2C=C1Cl)NNC(=S)N 1 2.604 4 0 -0.990976412835172 3780243 COC1=CC=C(C=C1)CN2CCN3C(=CC(=N3)C(=O)NC4CC4)C2=O 1 1.697 4 3 0 -8.25400734889725 3780230 CCN(CC)C1=NC(=NC2=C1SC=C2)SCC=C 1 3.8 3 0 -7.97389373464859 3780203 C1=CC(=CC(=C1)[N+](=O)[O-])C(=NC2=CC(=CC=C2)Cl)NO 1 3.24 3 3 0.995488447151636 3780194 CON=CC1C(=NNC1=O)C2=CC=CC=C2 1 0.749 3 2 0 -7.49672455566968 3780192 CC1=CC(=CC(=C1OC(=S)N(C)C)C)C(=O)CSC2=CC=C(C=C2)OC 1 5.976 1 3 -2.28111389970161 3780188 C#CCOC(=O)NC1=CC=CN(C1=O)CC2=C(C=CC=C2Cl)Cl 1 3.454 2 3 -10.8425706692949 3780175 C1CN(CCC1C2=CC=CC=C2)CC3=CC=C(C=C3)Cl 1 4.769 1 0 9.63513550577264 3780166 CC1=CC=C(C=C1)OC2=NC(=NC=C2S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4 1 5.845 2 3 0.853911138255971 3780161 CN1CC(C(C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.226 1 1 0.110784823786511 3780158 C1=CC=C(C=C1)C2=NC=C(S2)C(=O)C3=CC=CC=C3 1 3.906 1 1 3.44004521954189 3780154 CN(C)CCNC(=O)C1=CC=CN(C1=O)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F 1 2.657 3 2 -7.28489894155252 3760084 CC1=C(C(CC(=O)N1)C2=CC=CC=C2Cl)C(=O)C 1 1.851 1 2 0 -16.9111439659227 3780111 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C3=CC=C(C=C3)[N+](=O)[O-] 1 5.392 2 8 0 -19.1058480599385 3780028 C1=CC=C2C(=C1)C(=O)N(N=N2)CCO 1 1.292 3 2 0 -16.6561409033968 3779968 C1COCCN1CCN2C(=O)C3=CC=CC=C3N=N2 1 1.658 4 2 0 -21.1813828473548 3779936 CCOC1=C(C=CC(=C1)C=NNC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)OCC(=O)N4CCOCC4 1 0.994 4 8 0 -23.7300112410051 3779889 COC1=CC=C(C=C1)C2CC(=NN2CN3C4=CC=CC=C4C(=O)C3=O)C5=CC=C(C=C5)OC 1 3.735 3 4 0 4.36516321841273 3779856 CCC1(NC(=S)N(N1)C2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)Cl 1 6.221 3 0 4.97711921602517 3779818 C1CCC2=C(C1)C=C(C(=N2)Cl)C#N 1 2.952 2 0 -5.18165127729768 3779733 CCC1(CC2=C(CO1)C=C(C(=N2)NC(=S)NC3=CC=CC=C3)C(=O)OCC)C 1 4.614 3 3 -11.8431769856004 3779717 CC1=CC=CC=C1NC(=O)NC(=O)N 1 1.006 3 2 0 -5.36989177311346 3779715 CC1(CC(CCO1)(CCN(CC2=CC=CC=C2)C(=O)C3=CC=CO3)C4=CC=CC=C4)C 1 4.851 1 3 -16.775873801326 3779671 C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC=CC=C4Cl 1 5.557 3 2 -1.06967729937485 3779667 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.099 3 2 -3.42127489826114 3779663 CC1=CC(=C(N1C2=CC=NC=C2)C)C=C3C(=O)N(C(=S)N(C3=O)C)C 1 2.191 4 2 -3.89282768411358 3779551 CN(C)S(=O)(=O)OC1=C(SC=C1)C(=O)NC2=CC=C(C=C2)Br 1 2.465 2 4 -9.04430740104225 3779523 CCSC1=NSC(=N1)NC(=O)NC2=CC=CC=C2Cl 1 3.468 4 1 -4.56473354304263 3779522 CCOC1=CC=C(C=C1)NC(=O)NC2=NC(=NS2)SCC 1 3.136 4 2 -4.39904904718474 3779521 CCSC1=NSC(=N1)NC(=O)NC2=CC(=CC=C2)OC 1 2.788 4 2 -3.4944198039962 3779520 CCSC1=NSC(=N1)NC(=O)NC2=CC=CC=C2OC 1 2.788 4 2 -8.09711256202406 3779429 CCCCC1=C2CCCCC2=C3C4=C(C(=O)N(C=N4)N)SC3=N1 1 3.835 4 1 -10.5485873011002 3760022 CC(=O)C1=CC2=C(ON=C2C=C1)C3=CC(=CC=C3)F 1 3.376 1 2 3.89010131959326 3760013 C1COCCN1CCCNC2=NC(=C(C(=N2)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])N 1 1.6 7 3 0 1.5922633387836 3759952 CCOC(=O)C1(C=C(C(=O)N1C2=CC=C(C=C2)O)NC3=CC=C(C=C3)O)C 1 2.632 2 5 0 -0.2301712166714 3779331 CC1=NC(=C(C(=N1)N)CC2=C(C=C(C=C2)Cl)Cl)N 1 2.895 4 0 -0.117765657955343 3779330 C1COCCN1C2=CC(=C(C=C2Cl)[N+](=O)[O-])N 1 1.492 3 3 0 -1.22063451031972 3779328 C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)O)CC4=CC(=C(C=C4)Cl)Cl 1 4.772 1 5 -4.26678183687317 3779264 CN1CCC2=CC3=C(C(=C2C1CC(CC4=CC(=CC=C4)OC)O)OC)OCO3 1 3.198 1 5 -4.56674002789307 3779257 COC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.058 3 5 0 -13.7739868181693 3779253 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)C3=CNC(=C3)C(=O)NCC4=CC=NC=C4 1 2.806 4 3 0 -7.40115093221873 3779124 C1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 0.112 4 5 0 -19.2246645420232 3779078 CC(C)CCNC1=NC(=C(C(=N1)NCC2CCCO2)[N+](=O)[O-])N 1 1.41 6 3 0 -9.11569017737572 3778977 C1CC(=O)N(C1)CC(CS(=O)(=O)CC2=CC=C(C=C2)Cl)O 1 1.17 1 4 0 -12.2550789728073 3778914 CS(=O)(=O)N1C(CC(=N1)C2=CC=CO2)C3=CC=CC=C3Cl 1 2.602 2 3 -3.73964939357628 3778883 CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCC3 1 2.996 6 2 0 1.51575142871555 3759916 CC1=CC=CC=C1N=C(C2=NON=C2N)NOCC3=CC=CC=C3 1 2.816 5 2 0 -1.70793916843138 3759933 C1CN(CCC1NC(=O)C2=CC(=CC=C2)Br)CC3=CC=CC=C3 1 3.48 2 1 -1.78473062708222 3759894 CCCCNC1=NC(=C2CCCCC2=C1C#N)CC 1 4.225 3 0 -7.42116752855785 3759819 CC1(CC2=C3C4=C(C(=NN=N4)N5CCCCC5)SC3=NC(=C2CS1)N6CCOCC6)C 1 3.527 6 1 0 -11.1874507301269 3759804 CC1=NOC(=C1C#N)NC(=O)C2=CC=CC=C2OC 1 1.338 3 3 0 -11.3028664803429 3759803 CC1=C(C(=NO1)C)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 2.42 3 2 -3.45808456214103 3759801 CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(=N2)C(=O)C3CO3)C4=CC=C(C=C4)Br 1 3.129 2 4 -8.36175535701649 3759788 CC1=C(C(=NN1)NC2=CC=C(C=C2)Br)[N+](=O)[O-] 1 2.514 4 2 2.29797168166408 3759732 CCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 1.929 7 4 0 -9.37980105791458 3759727 C1=CC=C(C=C1)C=NNC2=NON=C2N 1 0.947 5 1 0 -4.5814997693065 3759704 CCN(CC)C(=O)C(=O)C1=CC=CN1C2=C(C(=CC=C2)N3C=CC=C3C(=O)C(=O)N(CC)CC)C#N 1 4.038 5 4 0 -9.54904688606486 3759703 C1CNC(=O)C(=C1C(=O)O)OCC2=CC=CC=C2 1 0.923 1 4 0 -7.42408885160626 3759696 CCC(=O)C1=CNC(=C1)C(=O)NCC2=CC=CC=C2OC 1 2.397 2 3 -10.6771671815824 3759691 C1=CC(=CC=C1N2C=C(N=N2)COC(=O)CCCCl)Cl 1 3.345 3 2 -5.91594524652312 3759663 C1C(C(=O)NC1=O)NNC(=O)C2=CC=C(C=C2)Br 1 0.208 3 3 0 -9.588528954593 3759651 C1=CC(=CN=C1)CNC(=O)C2=CC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.633 4 1 -4.54708392810611 3759648 CC(=NNC(=O)CC1=CC=CC2=CC=CC=C21)CC(=O)NC3=CC=CC=C3NC(=O)C 1 2.018 4 3 0 -9.42141653839791 3759638 C1=CC(=C(C=C1NNC(=S)N)Cl)Cl 1 3.082 3 0 0.518781354460298 3759611 CC1=CC=CC2=C1N=C(C=C2C)OC3=CC=C(C=C3)OC 1 5.071 1 2 5.20938733918691 3759524 C1=CC=C(C=C1)C2=CSC3=C2C(=NC(=N3)C4=CN=CC=C4)Cl 1 3.973 3 0 3.04751037427075 3759509 CC1=CC=C(C=C1)C(O)P(=O)(C2=CC=C(C=C2)N(C)C)OCCC(C)C 1 4.698 1 3 -7.05520789016246 3759505 CC1=C(N=C(S1)C2=CC=NC=C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl 1 4.505 2 2 2.45439508091477 3759504 C#CCONC(=O)C1=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F 1 4.058 1 4 -8.8281185964061 3759425 C1C(C(C(=O)CC1=O)N2C=NC=N2)C3=CC(=CC=C3)Cl 1 1.695 3 2 0 -3.5072391709546 3759406 CC1=NN(C(=O)N1C2=CC=C(C=C2)F)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.975 4 1 0.38257550507358 3759401 C1CC2=C(C=NC3=C(C(=NN23)CC#N)C#N)C(=O)C1 1 0.852 5 1 0 -8.27969569722081 3759299 CC1=NN(C(=C1NC(=O)OCC2=CC=CC=C2OC)Cl)C 1 2.552 3 3 -3.50827197633879 3759285 C1CC(OC1)CNC2=NC(=C(C(=N2)NC3=CC=CC=C3F)[N+](=O)[O-])N 1 1.611 6 3 0 -3.55313052162318 3759278 C1=CC=C(C=C1)CN2C(=CN=C2SCC3=CC=CC=C3)CO 1 3.647 2 1 -11.5179982295334 3759260 CC1CC2C3=CC=CC(=C3C(=O)N2C4=C1C=C(C=C4)Cl)C(=O)O 1 3.679 1 3 -4.25955972795721 3759215 CN1C=CSC1=NS(=O)(=O)C2=CC=C(C=C2)F 1 1.619 2 2 0 -6.84388970646551 3759214 CC(=NO)C1=CC=C(C=C1)OC2=NC=CN=C2 1 1.435 3 2 0 0.682016668583983 3759206 CC1=CC=C(C=C1)C(=O)NC2CCC3=CC=CC=C3C2=O 1 3.446 1 2 -4.00932145170239 3759162 CCCCCCC=NNC1=NC(=O)C(=NN1)CC2=CC=CC=C2 1 3.41 5 1 -15.2864611698465 3759122 CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)NCCCO)C#N 1 4.546 4 1 -9.37864418242392 3759115 COC1=C(C(=NC=C1)N=CNOCC2=C(C=C(C=C2)F)Cl)C#N 1 2.036 4 2 -1.69973121451279e-002 3759082 CC1=CC=C(C=C1)C(=O)ON=C2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.691 3 4 0 2.78645472402756 3759064 CC1=CC=CC=C1OCC2CC3=C(O2)N=C(C(=C3N)C#N)N 1 2.348 4 2 -2.54861914997374 3758993 CC1=CC=C(C=C1)OC(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F 1 4.67 2 2 -3.94869029793158 3758990 CC1=CC=CC=C1OC(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F 1 4.67 2 2 -3.99883698183262 3758989 CC1=CC(=CC=C1)OC(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F 1 4.67 2 2 -3.13014394368897 3758988 C1=CC=C(C(=C1)C(=O)O)NC(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F 1 3.166 3 3 -8.31633679414685 3758982 CC(=O)N=C1N(C2CS(=O)(=O)CC2S1)C3=C(C=CC=C3Cl)Cl 1 3.023 2 3 -12.0575381469026 3758954 CN(C)CCCN1C(=O)C2=C(NC1=S)SC3=C2CCCC3 1 3.512 3 1 -9.22141651674369 3758950 CCN1C(=CC(=O)C=C1C2=CC=C(C=C2)Cl)C 1 3.16 1 1 3.14298985615131 3758949 CC1=CC(=NN1CC(=O)C2=CC(=CC=C2)N)C 1 1.417 3 1 0 -8.81553574237258 3758918 COC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C(F)(F)F)N3CC4=CC=CC=C4C3=O 1 5.119 1 5 -8.72949859756085 3758916 CN1C2=CC=CC=C2C(=C1Cl)C=NOC(=O)C3=CC=C(C=C3)Cl 1 4.766 2 2 2.47633700378575 3758907 C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)OC(=O)C4=CC=CC=C4 1 4.403 0 4 -5.00122573310472 3758902 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=C(SC=C2)C(=O)O 1 3.14 1 3 -5.62833948969115 3758900 CC1=NC2=C(C=CC=C2OC)C3=C1CCN3C4=CC=CC=C4OC 1 4.096 2 2 -2.90779538086028 3758870 CN(C)S(=O)(=O)OC1=CC=CC=C1C(=O)NC2=CC=CC=C2Cl 1 2.428 2 4 -8.97017146821753 3758868 CN(C)C(=O)C1=CN=C(C=C1)N2C=CC=N2 1 0.858 4 1 0 -4.02427088819853 3758867 CNC(=O)C1=CN=C(C=C1)N2C=CC=N2 1 0.653 4 1 0 -6.03504801781184 3758864 CC1=NN(C2=C1CC(C2)C(=C)C)C3=CC=CC4=C3N=CC=C4 1 4.216 3 0 -0.331957209012404 3758817 CC(=O)C1=CC2=C(C=C1)OCCOCCOCCOC3=C(C=CC(=C3)C(=O)C)OCCOCCOCCO2 1 2.187 0 10 0 -7.14254043774685 3758798 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)OC3=CC=CC=C3 1 2.075 2 4 -4.8004067580931 3758767 C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2Cl)C3=NC(=NO3)C4=CC=CC=C4Cl 1 4.039 3 3 -5.08453066110813 3758762 CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)Cl)Cl 1 3.758 3 1 -1.25739908128279 3758761 CN1CCN(CC1)C(=O)C2=CN=C(C=C2)N3C=CC=N3 1 0.816 5 1 0 -3.08023038716897 3758753 CC1=CC(=NN1C2=NC(=C3C4=C(COC(C4)(C)C)SC3=N2)NCCCN(C)C)C 1 3.375 6 1 0 -13.3410687453805 3758727 CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC 1 3.826 8 4 0 -29.1937125698439 3758712 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.356 3 1 1.83310271175502 3758708 C1=CC=C(C(=C1)C(=NO)N)N2C=CC=C2 1 1.775 3 1 0 -0.114905607883315 3758700 C1=CC=C(C=C1)C(=O)NNC(CC(=O)O)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 0.942 4 6 0 -16.0334502980132 3758673 CC1=CC(=C(C=C1)S(=O)(=O)CC(COC2=C(C=C(C=C2)F)Cl)O)C 1 4.319 0 4 -6.07417602621969 3758651 C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=CC=CC=C3OCC4=CC=CC=C4F)N5CCCC5 1 4.269 7 1 0 -1.1789384625292 3758623 C1=CC(=CC=C1S(=O)(=O)CC2=C(C=CC(=C2)C(=O)NN)[N+](=O)[O-])Cl 1 2.008 3 5 0 -10.3974742761968 3758617 C1CC(=O)N(C1)CC(CS(=O)(=O)CC2=CC(=C(C=C2)Cl)Cl)O 1 1.834 1 4 0 -10.8050744363358 3758610 C1=CC(=C(C(=C1)Cl)Cl)C(=O)NC2=NC(=NC=C2)C3=CN=CC=C3 1 3.173 4 1 -2.5321973501252 3758489 CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OC(C)(C)C 1 4.946 2 8 0 -20.4866657633999 3758479 CC(=NNC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=NC=C3 1 1.187 5 3 0 -20.6161302750549 3758464 C#CCSC1=NC(=NC(=C1)C(F)(F)F)C2=CC=CC=N2 1 4.593 3 0 -1.51140954011968 3758453 C1C(C(C(=O)CC1=O)N2C=NC=N2)C3=CC=C(C=C3)Cl 1 1.695 3 2 0 -3.01375764382434 3758449 CN(C)C=NC1=C(C(C2=C(O1)C3=CC=CC=C3C=C2)C4=CC=CS4)C#N 1 3.922 3 1 -5.37684409089784 3758448 C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Cl)N4C=CC=C4 1 3.466 5 3 0 -7.28730715379567 3758341 C1=CC(=CN=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)NC4=CC(=C(C=C4)Cl)Cl)N 1 4.194 4 1 -3.61101035647454 3758247 CN1C=C(C=C1C(=O)NN=C(COC2=CC=C(C=C2)Cl)N)C(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.749 4 3 0 -0.321140901509773 3758243 CCCCN=C(C1=CN=CC=C1)NC2=CC=C(C=C2)Cl 1 3.717 3 0 -3.95445893053977 3758242 CC(C1=CC=C(C(=O)N1)C#N)OC2=CC=C(C=C2)OC 1 1.673 2 3 0 -7.19975103516774 3758232 C1C2C(CS1(=O)=O)SC(=S)N2CC3=CC=CC=C3 1 3.08 1 2 -8.37907282707535 3758231 CCN(CC)C(=O)CC1(CCOC(C1)C(C)C)C2=CC=CC=C2OC 1 3.322 1 3 -13.9289642204979 3758228 CNC(=O)CC1C(=O)N(C(=S)N1NC(=O)C2=CC(=CC=C2)F)C3=CC=C(C=C3)OC 1 2.316 4 4 0 -16.1707630424791 3758198 COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=CS3)C4=CC5=CC=CC=C5OC4=O)OC 1 3.564 2 6 0 -6.49754014113916 3758167 C1C2CC3CC1CC(C2)(C3)NC(=O)NCC4=CC=CC=C4 1 3.096 2 1 -8.38807554778012 3758120 CC(=O)N1CC2=C(C=CC(=C2)N)OC3=CC=CC=C31 1 1.723 2 2 0 -1.71420693919325 3758075 CC1=C(C(=O)N(C1OCCCl)C2=CC(=C(C=C2F)Cl)O)C 1 3.778 1 3 -1.22080213766025 3757861 CC1=CC=C(C=C1)C(=O)NC2(C(=O)N3CCSC3=N2)C(F)(F)F 1 3.072 3 2 -8.59085508662182 3757772 CC1=NN(C2=C1C(N3C4=CC=CC=C4N=C(C3=N2)NC5=CC=C(C=C5)NC(=O)C)C6=CC=CC=C6)C7=CC=CC=C7 1 5.05 7 1 0 -9.48255252818666 3757714 C1CCC23C(C1)C(C=C(N2C4=CC(=C(C#N)C#N)C=CC4=N3)C5=CC=CC=C5)C6=CC=CC=C6 1 5.437 4 0 3.83675906337002 3757709 CCCCN(C1CC(=O)N(C1=O)C2=CC=C(C=C2)OCCC)C(=O)C 1 2.46 2 4 -6.95768386824104 3757706 CCOC(=O)C1=C(C2=CC3=C(CC(CC3=O)(C)C)N=C2S1)N 1 2.475 2 3 -17.1563168359887 3757691 C1CC2CNC3=C(N2C1)C=C(C=C3)C(F)(F)F 1 3.051 2 0 1.50082159551145 3757657 CCOC1=C(C=C(C=C1)C(=O)C)N2C(=O)C3C4C=CC(C3C2=O)C45CC5 1 1.845 1 4 0 -7.78867917733466 3757655 CCOP(=O)(C1(C=C(C(=O)C2=CC=CC=C21)Br)NS(=O)(=O)C3=CC=CC=C3)OCC 1 3.074 1 6 0 -4.39442268622226 3757633 CN(C)S(=O)(=O)OC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)Cl 1 2.428 2 4 -6.42499633348094 3757571 CCOC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)N3C=CC=N3 1 2.562 4 2 -5.05984595899888 3757551 C1CC(OC1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F 1 2.432 2 2 -6.93134004301071 3757461 CC1=CC=C(C=C1)C=NNC2=NC(=CC(=N2)C)C 1 2.605 4 0 -3.6338014274187 3757430 C1CC(OC1)CNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CC=C5Cl 1 1.86 5 3 0 -25.3603981998833 3757409 CN1C=CC=C1C2C(=C(OC3=C2C(=O)CCC3)N)C#N 1 1.232 3 2 0 -19.4224168110438 3757239 CCCN1CCC2(CC1)C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3 1 -0.552 3 2 0 -2.51418633007117 3757219 CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)CC(=O)O)C(=O)O 1 3.e-002 1 7 0 -12.3623358039372 3757210 CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.629 4 5 0 -3.86771006911299 3757176 COCCCN1C(=O)C2=C(N1)C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O 1 1.922 2 4 0 0.337779593047911 3757147 C1=CC(=CC(=C1)OCC(=O)NN)C(F)(F)F 1 1.117 2 2 0 -0.617954202867228 3757132 CCCC(=NNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)C 1 0.853 6 2 0 -14.9009139721721 3757117 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CF 1 3.664 4 3 0 -21.7526517118511 3757113 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NN=CC3=C(C=CS3)C 1 2.88 3 2 -7.76293518615356 3757092 COC1=C(C=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC4=CC=CC=C4OC3=O)OC 1 2.332 1 7 0 -20.9476822092944 3757066 COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3 1 1.578 3 5 0 -15.3772176016822 3757033 COC1=CC=CC(=C1)CNC2=NC(=C(C=C2)[N+](=O)[O-])NCC(=O)O 1 1.845 4 5 0 -6.2103088553193 3757027 C1CCN(C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.373 2 5 0 -10.9375246366365 3757023 CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=CC=C2N3C=CN=C3 1 3.164 4 1 -7.94249424328342 3756979 CC1=CC(=CC=C1)OC(C)C2=CC=NC3=NC(=NN23)N=CN(C)C 1 2.376 6 1 0 -2.50756342754104 3756978 CC1=CC=C(C=C1)C=NNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F 1 5.151 2 3 -8.78574055141114 3756963 CCCNNC(=O)C(C1=CC=CC(=C1)C)(C2=CC=CC(=C2)C)O 1 3.32 2 2 -7.27258552348814 3756954 CCOC(=O)CNC(=O)C1COC2=CC=CC=C2O1 1 0.866 1 5 0 -8.34646509434844 3756932 CCNC1=NC(=C(S1)C(=O)C23CC4CC(C2)CC(C4)C3)N 1 2.891 3 1 -3.99386976513757 3756819 C1=CN(C=C1)C(CC(=O)O)C2=CC=C(C=C2)N 1 1.724 2 2 0 -4.37823327650252 3756816 CCC(C1=C(N(N=C1C2=CC=CC=C2)C)Cl)O 1 3.182 2 1 2.39457551670488 3756811 C1CN(CCC1C2=CC(=NN2)C3=CC(=CC=C3)C(F)(F)F)C4=C(C=CC=N4)[N+](=O)[O-] 1 4.89 5 2 0 8.42644443411368 3756780 CC1=CC=C(C=C1)N2C(=O)C3C(C4=C(NC(=O)S4)SC3C2=O)C5=CC(=C(C=C5)O)OC 1 3.51 2 5 0 -1.5571171363595 3756751 C1=CC(=CN=C1)C(=NOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N 1 1.795 4 4 0 -1.36422900769429 3756737 CCOC(=O)C1C(N=C(NC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)F 1 3.015 2 3 -7.34949417288911 3756730 CCC(=O)OCCCCCCOC1=CC=C(C=C1)C(=O)O 1 3.504 0 5 -4.89078834811435 3756619 CCOC(=O)C(C(F)(F)F)(NC1=NOC(=C1)C)NC(=O)C2=CC=CC=C2F 1 2.822 3 4 0 -19.4767692847454 3756611 CCOP(=O)(C(C(=O)N)NC(=O)NC1=CC(=C(C=C1)Cl)Cl)OCC 1 1.558 3 5 0 -8.19108854779737 3756590 CC1=C(C(=NN1C)C)NS(=O)(=O)C2=CC(=CC=C2)Br 1 2.144 3 2 -1.50494481797812 3756553 CCCCC(CCC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)O 1 3.848 3 3 -6.53584983219946 3756508 CC1CC(CC(=O)C1C(=O)C2=CC=CC=C2)(C)C 1 3.404 0 2 -6.78314402034596 3756488 C1=CC(=CC(=C1)NC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O 1 2.985 4 6 0 -5.02723736285687 3756386 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CN=CC=C3)CC4=CC(=CC=C4)OC 1 1.778 6 3 0 -19.2459469218565 3756373 CC1(C2C(C2(Cl)Cl)(C3=CC=CC=C3N1C=O)C)C 1 2.738 1 1 0.461523177116694 3756227 CC1=C(C(=NS1)SCC2=CC=CC=C2C(=O)OC)C#N 1 3.386 2 2 -13.3575425123753 3756218 CC(=NNC(=O)CCC(=O)NC1=C(C=C(C=C1)Cl)Cl)C2=C(C=C(C=C2)OC)OC 1 3.295 3 4 0 -8.63073061502434 3756208 C1CC(=O)N(C1C(=O)NC2=CC(=CC(=C2)Cl)Cl)CC3=CC=CC=C3Cl 1 4.183 2 2 -8.01940568460822 3756205 CC1=NC2=NC=NN2C(=C1)C3=CC4=CC=CC=C4C=C3 1 3.378 4 0 -1.42770682421101 3756203 COC1=CC=CC=C1C2=NC3=C(C=CC(=C3)Cl)C(=O)N2O 1 3.154 2 3 2.80003755810831 3756202 CN(C)C=NS(=O)(=O)C1=CC=CN1C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.908 4 2 -0.136227675504675 3756200 C1=C(C=NC(=C1Cl)CC(=O)N)C(F)(F)F 1 1.751 2 1 0 2.65352589099236 3756138 C1=CC=C(C=C1)C(C(C(=O)NC2=NC=CS2)Br)Br 1 3.181 2 1 -5.00301713967157 3756124 CC1(C(=O)NC(CS1)C(=O)OC)C 1 0.311 1 3 0 -7.2246005871348 3756113 CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)F)C#N)N)CSC3=NC4=C(CN(CC4)C)C=C3C#N 1 3.568 5 3 0 -19.0235242032626 3756103 CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC3=C(C=C2)OCO3 1 2.135 2 4 -7.49161946406743 3755998 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)COC3=CC=CC=C3)C4=CC=CC=C4Cl 1 3.297 8 3 0 -27.9488514004106 3755918 CN(C)CCCNC1=C(C=C(C=N1)C(F)(F)F)Cl 1 2.834 3 0 5.74805292382898 3755913 COC(=O)CC1COC2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)Cl 1 3.271 1 4 -6.99454590305553 3755912 C1=CC2=C(C=C1Cl)C(=O)C(=CN2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.24 2 1 5.07248080468945 3755909 CC1=NC(=NC(=C1)C2=CC=C(S2)Br)N3C=CC=C3 1 4.199 3 0 1.78916339218529 3755891 COC1=C(C(=NC=C1)N=CNOCC2=C(C(=CC=C2)Cl)Cl)C#N 1 2.495 4 2 -1.25982248909876 3755889 C1CN(CCC1=NOC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.205 3 4 0 1.99080715651821 3755886 CC1=C(C(=NS1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C#N 1 3.097 3 3 -10.1606883968052 3755880 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC(=C(C=C3)OC)OC)C(=S)NC4=CC=CC=C4 1 6.472 3 5 0 -12.8413798170012 3755819 CC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2OC(C)C 1 4.056 3 3 -3.46981435977436 3755793 COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC 1 4.367 2 4 -9.05832809132222 3755762 C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)CC4=CC=CC=C4 1 3.922 1 4 -8.69435170050275 3755740 C1=CC=C(C=C1)C(=NNC(=O)CNC(=O)CC2=CC=C(C=C2)Cl)CCC(=O)O 1 2.268 3 4 0 -14.9826997694489 3755680 CC(=NNC(=O)C(C1=NNC(=O)C2=CC=CC=C21)NC(=O)C3=CC=CC=C3)C4=C(C=C(C=C4)OC)OC 1 2.559 5 5 0 -21.981562347338 3755556 C1=CC(=CN=C1)C(=O)NN=C(CC(=O)C2=CC=CS2)C(F)(F)F 1 2.465 3 2 -9.88594765850859 3755528 C1=CC=C(C(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2)O 1 4.319 3 3 -12.7819766389673 3755487 C1=CC=C(C=C1)N2C=CN=C2SCC(=O)C3=CC=C(C=C3)Cl 1 4.503 2 1 -0.250883737609149 3755468 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O 1 2.961 3 5 0 -18.1338556778611 3755436 C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC(=O)NC6=CC=CC(=C6)C(=O)O 1 2.489 2 5 0 -13.6726125232038 3755395 CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC=CO4 1 3.048 8 4 0 -24.0670088565919 3755385 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2C(C)COC 1 2.163 4 3 0 -18.3170699337441 3755383 CC1=CC(=CC=C1)N2C3C(C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=CC=C4OC 1 2.939 3 5 0 -6.01561264440864 3755333 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NCC3=CC(=CC=C3)OC 1 3.136 3 3 -4.35899864026468 3755332 CC1=CSC(=C1NC(=O)C2=CC=C(C=C2)OC)C(=O)O 1 2.667 1 4 -6.56212336945514 3755299 C1=CC=C(C=C1)N2C=NN=C2SCC3=CN4C=C(C=CC4=N3)Cl 1 3.263 5 0 -5.17251039576919 3755199 C1CS(=O)(=O)CC1N(CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 2.893 2 5 0 -14.733243656398 3755172 CC1=CC=C(C=C1)NC(=O)C2=C(C(=NN2C)C(C)(C)C)[N+](=O)[O-] 1 3.765 4 3 0 -2.67784724234711 3755094 CC(=O)N(C1=CC=CC=C1)NC2=C3C=CC=CC3=NC2=O 1 1.233 3 2 0 -10.3627271740529 3755066 CC(=O)ON=CC1=C(N(C2=CC=CC=C21)C)Cl 1 2.438 2 2 1.05771565893251 3755009 CN=C1C(=CC=C2C1=NC3(N2O)CCCCC3)[N+](=O)[O-] 1 1.436 4 3 0 -0.998289698361532 3755008 C1=CC=C2C(=C1)C3=C(C(C(=C(O3)N)C#N)C4=CC=NC=C4)C(=O)O2 1 1.445 3 3 0 -10.0360537673936 3754981 CC1=C(C=C(C=C1)[N+](=O)[O-])C2=C(N=C(N2)C3=CC(=C(C=C3)OC)O)C4=CC=CC=C4 1 5.521 3 4 0 9.2712537185844 3754923 C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3 1 2.094 6 3 0 -3.90843103949418 3754884 CC(C1=CC=NC2=NC(=NN12)N=CN(C)C)OC3=CC(=CC=C3)F 1 2.095 6 1 0 -1.36346815856388 3754798 CC1=NC(=CC=C1)NC(=O)COC2=CC3=C(C=C2)OC4=C3CCCC4 1 3.807 2 3 -5.90535226261335 3754793 COC1=CC=CC(=C1OC)C=NNC(=O)CN2CC(CC2=O)C3=CC=CC=C3 1 1.858 3 4 0 -9.85635389050565 3754762 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)SC(=NN=CC3=CC=CO3)N 1 1.996 4 5 0 0.150289624514457 3754748 CC1=C(C(=NS1)SCC(=O)NN=C(COC2=CC=CC(=C2)C(F)(F)F)N)C#N 1 2.673 5 2 0 -9.71827617083156 3754737 CC(=O)C1=CC2=C(ON=C2C=C1)C3=CC(=CC=C3)OC 1 3.154 1 3 2.22038950683693 3754715 CC1=CC2=C(C=C1)N(C(C3C2(C3(Cl)Cl)C)(C)C)C=O 1 3.225 1 1 1.06780691820374 3754708 COC1=CC=C(C=C1)N2C(SCC2=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.117 2 4 -13.0863466997539 3754702 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N=C2N(C=CS2)C 1 2.168 2 2 -4.97763258281946 3754677 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2CCCN(C2)C3CCN(CC3)CC4=CC=CC=C4 1 3.907 3 3 -2.47100878375976 3754656 C1CCC(CC1)NC(=O)CCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.453 2 6 0 -23.1993144551394 3754545 CN(C)C=NC1=C(NC2=C1C=CC(=C2)OC)C(=O)OC 1 1.761 3 3 0 -0.977270897059285 3754494 CC1=C(C2=CC=CC=C2N1)C(CN3CCN(CC3)C4=CC=CC=C4OC)O 1 3.444 3 2 0.96818259665079 3754311 CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OC)C(=O)N1CC4=CC=CO4 1 1.841 3 4 0 -13.0895303283943 3754305 CC(C)OP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)C(=O)O)OC(C)C 1 3.818 1 5 -10.9274089246577 3754295 C1CC(OC1)CNC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4 1 3.012 1 2 -7.10802823654678 3754294 CCC1(CC2=C(CO1)C=C(C(=N2)N)C(=O)OCC)C 1 1.803 2 3 0 -8.24680767508321 3754271 CCCCCN1C(C2=NC3=CC=CC=C3C(=O)N2CC1=O)C 1 2.256 3 2 -12.0566811149302 3754217 CC(C)(C)C(=O)NC1(C(=O)N(C(=O)N1)CCC2=CC=CC=C2)C(F)(F)F 1 3.088 3 3 -9.96098875703647 3754215 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3753824 CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.175 3 1 -2.33536650630197 3753761 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4 1 4.886 2 2 -6.44195244876353 3753755 COC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCOCC3 1 1.544 6 4 0 -1.81159188881764 3753749 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6 1 0.912 3 3 0 -12.246636599855 3753704 C1CC(CN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N 1 1.464 2 3 0 -10.5892841422228 3753631 CC1=CC=CC=C1C2=NOC(=N2)C3=CC=CC=C3C(=O)NCC4=CC=CO4 1 3.604 3 3 -7.34136982957592 3753554 CCNC(=O)NCCNC(=O)C1=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F 1 2.557 3 4 0 -15.6039484859055 3753536 CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 1.411 5 2 0 -9.85767191151423 3753533 CC(C)C1=CC=C(C=C1)C(CC2=NC3=CC=CC=C3N2C)O 1 4.194 2 1 4.4295777753989 3753497 CC1CC(CN(C1)C2=C(C(=NC(=N2)N(C)C3=CC=CC=C3)N)[N+](=O)[O-])C 1 3.635 6 2 0 -1.77254980731763 3753472 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CN4C=C(C=CC4=N3)C 1 2.796 3 4 0 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1 4.182 1 5 -12.0845582488053 3752705 CCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)N(C)C)O 1 3.666 2 3 -6.5142621953811 3752683 CN(C)C=NC1=C(C2=C(S1)CN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C(=O)OC 1 3.873 4 2 -5.15365891778946 3752670 COC1=CC=C(C=C1)NC(C2=CC=CC=C2)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4 1 6.245 1 4 -6.26570943254155 3752667 COC1=CC(=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3)OC 1 3.495 2 4 -1.50308084373209 3752545 C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Br)C(=O)O)Cl 1 4.322 0 3 -1.29718735765802 3752463 CC1=C(C=CO1)C(=O)NNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 0.923 4 5 0 -7.495392633295 3752384 CCC1(CC2=C(CO1)SC3=C2C(=O)NC(=N3)SCC=C)C 1 3.496 2 2 -21.8750285201118 3752371 COC1=CC=C(C=C1)CNC2=NC(=O)CC(S2)C(=O)NC3=CC=C(C=C3)Cl 1 3.557 3 3 -5.34724838388033 3752327 CN(C)C1=CC=C(C=C1)C=NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O 1 2.468 3 4 0 -3.95103500705815 3752260 CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NN 1 0.732 3 3 0 -6.83376269873503 3752257 CC1CC2(CCCC2)N(C3=C1C=C(C=C3)F)C(=O)N(C)C 1 3.604 2 1 -3.91650521692794 3752177 CCOC(=O)CN1C(=O)C2=C(N=C3N2CCCN3CCC4=CC=CC=C4)N(C1=O)C 1 1.825 5 4 0 -14.8067054156655 3752088 COC(=O)C1=CC=CC=C1S(=O)(=O)N2CC3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C42 1 3.587 2 7 0 -14.6900548868251 3752111 CC1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C=C2)N3CCOCC3 1 1.422 3 3 0 -2.93606536377691 3751995 CCCC(C(=O)O)NC(=O)CCC1=C(C2=C(C(=C3C(=C2)C4=C(O3)CCCC4)C)OC1=O)C 1 5.124 1 6 0 -23.017823417179 3751938 CCOC(=O)C1=CC2=C(CCCC2)N=C1NC(=S)NCC(=C)C 1 4.216 3 2 -16.0467338093182 3751889 COC1=CC(=CC(=C1OC)OC)CN2CCCC(C2)C(=O)N3CCC4=CC=CC=C4C3 1 3.533 2 4 -8.38250674449295 3751885 CC(C)C(CC(=O)N1CCCCC1)C2=CC=C(C=C2)OC 1 3.595 1 2 -7.4553559450367 3751880 COC1=CC=C(C=C1)C2=NOC3=C2N=CC(=C3)C(F)(F)F 1 3.634 2 2 5.27601493516793 3751878 C1=CC=C(C=C1)C2=C(SC3=C2N=CC(=C3)C(F)(F)F)C(=O)O 1 4.351 1 2 3.19392438778399 3751854 CC(C1CC2CCC1C2)NC(=O)CSC3=CC=CC=C3C(=O)O 1 3.303 1 3 -12.2974774971178 3751836 C1=CC=C(C=C1)CC(CCNCC2=CC=C(C=C2)F)C3=CC=CO3 1 4.858 1 1 3.81589310715978e-002 3751806 CCC1(CC2=C(CO1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3)C 1 4.494 3 2 -24.3501162070833 3751784 C1CC2CC1C3C2C(=O)N(C3=O)CCC(=O)OCC(=O)C4=CC=CC=C4 1 1.766 1 5 0 -18.0168056789363 3751763 C1=CC=C(C=C1)C(=O)C2=CC=C(S2)CC(=O)O 1 3.143 0 3 -3.81845221297371 3751762 CC1=CC=C(C=C1)C(=O)C2CN(CC2C(=O)C3=CC=C(C=C3)C)C 1 3.941 1 2 1.250720136526 3751734 C1CC(OC1)C(=O)NC2=NC3=CC=CC=C3N2 1 1.34 3 2 0 -10.4449783719383 3751730 CCC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)NN=C(C)C3=CC=CO3 1 3.937 4 2 -13.6222473130943 3751717 CC(C)(C)C(=O)NC1=NCCS1 1 1.984 2 1 0 -17.3007363875998 3751710 CCC(C)(C1=NN=NN1C2=C(C=CC=C2C)C)N(C3=CC=CC(=C3)C(F)(F)F)N=O 1 5.565 6 1 0 -3.52954349347451 3751663 CCCCCC(=O)NNC1CC(=O)N(C1=O)C2=CC=CC=C2 1 1.613 3 3 0 -12.747886029954 3751664 CCN1C(=O)C(N(C1=S)CCN2CCOCC2)CC(=O)NC3=CC=C(C=C3)OC 1 1.853 4 4 0 -17.7229593879042 3751694 C1=CC2=C(C=NN2)C(=C1)NC(=S)N 1 1.724 4 0 0 -5.51996616897613 3751692 CN(CC(=O)NC1=C(SC=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.794 4 7 0 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3751440 COC1=C(C=C(C(=C1)N2C=CNC2=S)Cl)Cl 1 3.399 2 1 -3.6699394621496 3751414 CC1=NOC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)OC 1 2.699 3 3 -7.87473618274458 3751378 CONC=NC(=O)NOCC1=C(C=C(C=C1)Cl)Cl 1 1.939 3 3 0 4.2219401511033 3751368 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)C4=CC(=CC=C4)Cl 1 6.243 2 4 -3.09198471739196 3751350 CC(CC1=CC=CC=C1)NC(=O)CSC2=NC3=NC4=C(COC(C4)(C)C)C=C3C(=O)N2C5=CC=CC=C5 1 5.147 4 3 0 -29.7380263543782 3751335 C1COCCN1CCCNC(=O)C2=CC(=CN2)C(=O)CC3=CC=C(C=C3)Cl 1 2.415 3 3 -5.51448547423437 3751320 CC1CN(C(CN1C(=O)C2=C(OC=C2)C)C)C(=O)C3=C(OC=C3)C 1 1.378 2 4 0 -5.57543297736404 3751294 C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O 1 2.675 2 5 0 -14.1822806064323 3751260 CCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=CS4 1 5.091 5 2 0 3.47183527491063 3751249 CC1=NC(=O)C2=C(N1)C3=C(S2)NC(=O)CC3C4=CC=CC=C4Cl 1 2.301 3 2 -8.68768554128359 3751218 CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=CC3=CC=NC=C3 1 2.706 3 3 0.210139663972088 3751215 CC(C)CC(CC(C)O)C1=NNC(=S)N1CC=C 1 2.956 3 1 -11.3919601443587 3751177 CN(C)C=NC1=NC=C(S1)C(=O)C2=CC=C(C=C2)Cl 1 2.695 3 1 2.25994137680953 3751170 CC1=CC=C(C=C1)CNCC(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O 1 4.777 1 1 0.988970999028736 3751059 CC1=NN=C(N1CC2=CC(=C(C=C2)OC)OC)C3=C(N(N=C3)C)N 1 1.164 6 2 0 -10.998109965376 3751039 CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NC3CCS(=O)(=O)C3 1 0.292 3 5 0 -13.9751451596411 3751006 CC(C)NCC(=O)NC1=CC=CC=C1SCC(=O)NC2=C(SC=C2)C(=O)OC 1 2.133 3 4 0 -17.6803502506231 3750987 CC(C)C(C1=CC=CC=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O 1 3.21 2 3 -13.4811182956 3750874 CC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CO2)C3CCS(=O)(=O)C3)C 1 2.324 1 5 -16.4106078096789 3750844 C1=CC(=CN=C1)C(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)C4=CC=C(C=C4)F)C(F)(F)F 1 1.171 5 4 0 -8.35645218358833 3750826 COC1=C(C=C(C=C1)CC(=O)NN=CC2=CC(=CS2)Br)OC 1 3.387 2 3 -5.20140539839023 3750790 C1CN(CCC1(CSC2=CC=C(C=C2)F)O)S(=O)(=O)C3=CC=CC=C3 1 2.631 1 3 -8.61794975465041 3750786 CS(=O)(=O)NCCNC(=O)C1=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F 1 2.003 2 5 0 -16.0024889670084 3750785 C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.496 2 3 -0.166351867477094 3750714 CC1=CC=C(C=C1)OC2=C(C=CC=N2)CO 1 2.66 1 2 1.63053240244821 3750713 CC1=CC=C(C=C1)SC2=C(C=CC=N2)COC(=O)NC3=CC=CC=C3C 1 5.656 2 2 -6.24084624521374 3750712 CC1=CC=C(C=C1)SC2=C(C=CC=N2)COC(=O)NC(C)C 1 4.319 2 2 -9.1490170197253 3750711 CCCNC(=O)OCC1=C(N=CC=C1)SC2=CC=C(C=C2)C 1 4.466 2 2 -8.56042849618371 3750709 CC1=CC=C(C=C1)SC2=C(C=CC=N2)COC(=O)NC3=C(C=CC=C3C)C 1 6.142 2 2 -5.22104948288076 3750683 CC1=CC(=NN1C2=NC3=CC=CC=C3C(=O)N2OCC(=O)N)C 1 1.049 5 3 0 -10.7267644376054 3750627 COC1=CC=C(C=C1)S(=O)(=O)N2CC3CCCN3C4=C2C=CC(=C4)C(F)(F)F 1 3.919 2 3 -3.09291988916388 3750586 CCCC1C2(C(=N)OC3(O1)CCCCC3C2(C#N)C#N)C#N 1 1.862 4 2 0 -2.35266012468899 3750565 CC(C)CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=C(C=C(C=C2)Cl)Cl)O 1 5.541 1 3 -3.93920294603662 3750513 CC(C)CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)N(C)C)O 1 4.374 2 3 -7.88152683238001 3750505 CC1(C(CCC1(C)C(=O)O)C(=O)N)C 1 0.897 1 3 0 -2.97064907023176 3750441 CC1=CC=C(C=C1)C=NN2C(C(SC2=S)(C)C)N(C(=O)NC)O 1 3.736 4 2 -4.92339535105461 3750424 C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])N 1 2.527 3 2 0.488842552610086 3750330 C=CCNC1=NC(=NC2=C1SC=C2)SCC=C 1 3.513 3 0 -7.46421181943239 3750311 C1=CC=C2C(=C1)NC(=N2)NN=CC3=CC=C(O3)C4=CC=C(C=C4)Br 1 4.822 4 1 8.16278397013014 3750279 C1CC1NC(=O)C2=CC3=C(C=C2)NC(C4C3C5CCC4C5)C6=CC=CC=C6 1 4.267 2 1 -7.45974404888777 3750098 CC1=CC=CC=C1NC(=O)CC2C(=O)N=C(S2)NC3=CC=C(C=C3)O 1 3.146 3 3 -10.4033856413046 3750094 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2C3CCC(C3)C2C(=O)O 1 2.665 1 5 -8.35401299540816 3750091 CC1=C(SN=N1)SC2=CC=CC=C2C(=O)OC 1 2.755 2 2 -10.2376809900011 3750056 CCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC(=CS3)CC(=O)OCC 1 4.656 3 5 0 -7.39721783448774 3750046 CC(C)NC1=NC(=NC(=N1)SC)N(C#N)C(C)C(=O)OC 1 1.778 6 2 0 -11.6475510397205 3750045 C1C(=S)NC(=O)N1C2=CC=CC=C2 1 1.521 2 1 0 -5.12023079920582 3749981 CC1=C(C(=NN1CC2=C(C=CC(=C2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)OC)C)[N+](=O)[O-] 1 2.85 5 5 0 -23.0066980537453 3749970 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CCC(=O)O 1 1.82 3 4 0 -17.5169319314303 3749969 CCC(C(=O)O)N=C1C=C(OC2=C1C=C(C=C2)C)C3=CC(=C(C=C3)OC)OC 1 4.339 1 5 -3.31966291545718 3749930 CCC1(CC2=C(CO1)SC3=C2C(=O)NC(=N3)SC)C 1 2.88 2 2 -17.6218159271048 3749903 C1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC3=CC=C(C=C3)F)C4=CC=CC=C4 1 5.91 2 1 -0.899477116823368 3749856 CC1=CC=C(C=C1)CNC(=O)C2(C(=O)NC3=CC=CC=C3O2)C 1 2.409 2 3 -10.2503856886729 3749794 CC1=C(C=C(C=C1)NC(=O)C(=O)NN=C(C)CC(=O)NC2=CC=C(C=C2)NC(=O)C)Cl 1 1.492 5 4 0 -10.6884508336896 3749795 C1CCC(C1)C(C2=CC=CC=C2)C(=O)NC3C4=CC=CC=C4C5=CC=CC=C35 1 5.668 1 1 -4.96755798910884 3749824 C1=CC=C2C(=C1)N=CC(=N2)SC3=CC=C(C=C3)Br 1 4.7 2 0 4.87130043627209 3749771 C1=CC(=CC(=C1)F)CN2C(=O)C(=O)N(C2=O)CC(=O)O 1 0.6 2 5 0 -7.20267880949788 3749750 C1COCCOCCN(CCOCCOCCN1C(=S)NC2=CC=CC=C2)C(=S)NC3=CC=CC=C3 1 5.21 4 4 0 -12.7099717376801 3749686 CN(C)C(=O)CSC1=NC2=CC=CC=C2N=C1 1 1.64 3 1 0 -6.09669949246105 3749684 CC1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)NC3CCSC3=O 1 2.754 2 3 -11.717292942452 3749683 CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C4(OCCO4)C 1 3.547 1 3 1.70068792946666 3749647 CC1=NN(C(=O)N1C2=CC=C(C=C2)Cl)CCOC3=CC=CC=C3 1 3.494 3 2 -1.12668298542655 3749592 CCCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5 1 2.437 8 3 0 -17.7530308988378 3749587 CC1=C(C2=C(N1C)C=CC(=C2)OC)C3=CSC(=N3)NC 1 2.738 3 1 3.82317801689866 3749582 CC1=CC=C(C=C1)C2(CCOC(C2)C(C)C)CC(=O)NC3=NC=CS3 1 3.495 2 2 -13.8287510424361 3749529 CC1=NC2=C(C=NN2C(=C1)NCC3=CC=CC=N3)C4=CC=CC=C4 1 2.899 5 0 -5.75476177238435 3749515 CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CN4CCN(CC4)C5=CC=C(C=C5)F 1 4.248 5 1 -4.05348491021626 3749481 CCC(=NNC(=O)N)C1=CC(=C(C=C1)OC)OC 1 1.423 3 3 0 -10.9029248181223 3749454 COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)C4=C(C=C(C=C4)C(=O)OC)[N+](=O)[O-] 1 4.398 4 5 0 -0.594180086087757 3749379 CC1CN(C2=NC3=C(N2C1)C(=O)NC(=O)N3C)C4=CC=C(C=C4)Cl 1 2.348 5 2 0 -3.94551033271277 3749369 CC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CS4)C5=CC=CC=C5 1 5.21 4 3 0 -2.26017417157273 3749366 C1=CC=C2C(=C1)NC(=N2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.085 3 3 -3.34795751471595 3749365 CC1=CC(=C(C=C1NC(=O)C)NC(=O)C)N=NC2=CC=CC=C2 1 2.926 4 2 -0.964377942359049 3749349 COC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5CCCO5 1 1.501 5 4 0 -27.7369452404173 3749342 C1=CN(C(=C1)C=NO)C2=NC=CS2 1 1.821 3 1 0 2.25001505455095 3749329 C1C2=CC=CC=C2C(=O)N1C(CC3=CC=CC=C3)CO 1 2.391 1 2 -0.986263584930763 3749282 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-] 1 1.06 2 5 0 -9.8086833606224 3749252 CCOC(=O)C1C(=O)NC2=CC=CC=C2S1 1 1.582 1 3 0 -8.42121901330247 3749180 CCCC1=C(N(N=C1C)C2=C(C=CC=N2)[N+](=O)[O-])C 1 3.166 4 2 -3.66050022048042 3749162 C1CNC(C2=C1NC=N2)C3=CC(=CC=C3)Cl 1 1.932 3 0 0 -4.48690476326936 3749140 C1CC(OC1)CNC(=O)C2=CC=CC=C2C3=NC(=NO3)C4=CC=CC=C4F 1 2.917 3 3 -12.1135618268651 3749102 CCCCOC1=CC=C(C=C1)C2C3(C(=N)OC4(O2)CCCCC4C3(C#N)C#N)C#N 1 3.43 4 3 0 -2.73092267409348 3749096 CC1=NNC(=O)C1CC(=O)NN=CC2=CC(=C(C=C2OC)OC)OC 1 0.156 4 5 0 -20.240689868852 3749078 C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC(=CC=C4)Cl 1 5.557 3 2 1.03950651357241 3749028 CCCCC(CCCC)(C(=O)NN(C1=CC=CC=C1)C(=O)OCC)O 1 4.313 2 4 -19.9014395199532 3749027 CC(C)(C(=O)OC)ONC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] 1 1.189 3 6 0 -4.70748089500646 3748883 CCN1CCN(CC1)C2=NC(=NN2C)[N+](=O)[O-] 1 0.601 6 2 0 -0.919969233699782 3748810 COCCCN1C=NNC1=S 1 0.29 3 1 0 -5.36226448757131 3748795 C1=CC=C(C(=C1)CC2C(=O)N=C(S2)N=C(N)N)Cl 1 1.992 4 1 0 -3.52131707573535 3748718 C1CN(CCN1C2=CC=CC=C2)C3=NN4C(=CC=NC4=N3)C5=CC=C(C=C5)OC6=CC=CC=C6 1 5.44 6 1 0 5.65461128664352 3748679 C1=CC=C(C=C1)P(=O)(CCCCCC(C(=O)O)N)C2=CC=CC=C2 1 1.264 1 3 0 -11.2108691964903 3748677 CC1=CC=C(C=C1)CNC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 4.318 2 2 -11.2491404604355 3748676 COC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)C5=CC=CC=C54 1 3.046 1 3 -20.2419633950832 3748675 COC1=CC=C(C=C1)N2CCN(CC2)CCC3C(=O)NC4=C(O3)C=C(C=C4)[N+](=O)[O-] 1 2.463 4 5 0 -3.28255236223814 3748673 CC1=CC=C(C=C1)CNC(=O)CS(=O)(=O)CC(=O)O 1 0.39 1 5 0 -10.9031952146537 3748671 CC(=O)C1=NC2=CC=CC=C2N1CCC3=CC=CC=C3 1 3.602 2 1 -5.88234016093191 3748670 CC1=C(C=C(C=C1)NC(=O)C2=CC(=O)N(C(=O)N2)CC3=CC=CC=C3)C 1 2.764 3 3 -5.86202021720863 3748579 C1C(N(N=C1C2=CC=CS2)C(=S)NC3=CC=CC=C3)C4=CC=C(C=C4)F 1 5.977 3 0 -6.41324983533606 3748563 CCCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=CC=C2)NC3=CC=CC=C3 1 5.957 2 2 -11.3709032617644 3748480 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC(=CC=C5)OC 1 3.679 2 6 0 -14.5546096686843 3748469 CC1=NC(=NC(=N1)NN=CC2=CC=C(C=C2)OC)N 1 1.162 6 1 0 -3.77836743709265 3748322 CC1CCCCN1CC2=NC(=O)C3=CC=CC=C3N2 1 2.13 3 1 -6.13108455090392 3748321 CC1CN(C2(O1)CCCCCC2)C(=O)NC3=CC=C(C=C3)F 1 3.369 2 2 -3.80446304054138 3748282 CC(C)(C)C(=O)C(CC1=CC=CC=C1Cl)N2C=NC=N2 1 3.628 3 1 -5.35054588956234 3748281 CCC(=O)N(C1=C(C(=O)C2=CC=CC=C2C1=O)NC(C)C)C(C)C 1 2.143 2 3 -6.94295466387005 3748274 C1CN(CCC1C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC(=CC=C3)F 1 2.531 3 3 -1.14963607071683 3748241 CCCCC1=CC=C(C=C1)NC(=S)N2CCCC(C2)CO 1 4.919 2 1 -9.18741952406462 3748162 CCOC(=O)C1=CC(=O)N2C3=CC=CC=C3N=C2N1 1 1.482 3 3 0 -8.31476117888404 3748089 CN(C)S(=O)(=O)OC1=C(C=C(C=C1)Cl)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.37 2 4 -1.58923499312749 3748097 CC1=CC=C(C=C1)SC2=C(C=CC=N2)COC(=O)NC3=CC=CC=C3 1 5.17 2 2 -2.62876553993017 3748085 CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NC 1 1.27 3 1 0 -6.2062575379823 3748083 C1C2=CC=CC=C2C(=O)N1C(CC3=CNC4=CC=CC=C43)C(=O)O 1 2.812 2 3 -8.19770948944889 3748082 C1CCC(=CC1)CCNC(=O)N 1 1.491 2 1 0 -8.52112522691214 3748081 CC(C)N1C(=O)C2=C(NC1=S)SC=C2C3=CC=CS3 1 4.126 2 1 -5.80924345825858 3748059 C1=CC=C(C=C1)C2=C(N3C=CC=CC3=C2)N=O 1 3.829 2 1 -1.83240344354999e-002 3748055 CC1=CC2=C(C(=C1C)N)N=CN2CC3=CC=CC=C3 1 3.36 3 0 -1.88580942155924 3747926 CC1=CC=C(C=C1)C2C(C(C(C(N2)C3=CC=C(C=C3)C)[N+](=O)[O-])(C)C)[N+](=O)[O-] 1 4.991 3 4 0 0.200600091201919 3747856 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)NNC(=O)C3=CN=CC=C3 1 0.297 4 3 0 -8.93234319247115 3747768 CC(C)(C)C1=CC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)OCCCF 1 4.53 2 2 -3.64876226684243 3747767 C1CCN(C1)C(=O)COC2=CC=CC(=C2)C=NNC(=O)C(=O)NC3=CC=CC=C3F 1 1.865 4 4 0 -14.0020703765322 3747761 CC1=C(C=C(C=C1)OC(C)C(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3)C 1 3.367 1 4 -16.0404000909394 3747737 CCC(C(=O)NNC(=O)C1=CN=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 1.573 5 4 0 -18.6631261624443 3747730 CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.353 4 5 0 -11.5771035016259 3747720 CC1(CN(C1=O)C2=CC=C(C=C2)OC)C 1 1.953 1 2 0 -0.481601322466634 3747718 COC(=O)NC1=CC=CN(C1=O)CC2=C(C=CC=C2Cl)Cl 1 2.262 2 3 -9.45609657257448 3747702 C1C(N(C2=CC=CC=C2O1)C(=O)CCl)C3=CC=CC=C3 1 3.103 1 2 -2.69975251811913 3747686 C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)C2=NON=C2N 1 0.122 6 5 0 -11.7281672547791 3747674 CCNC(=S)NNC(=O)CSC1=NC2=CC=CC=C2N1C 1 2.425 5 1 -14.5343907403384 3747668 CC(=O)N1C(CC(=NOS(=O)(=O)C2=CC=C(C=C2)OC)CC1(C)C)(C)C 1 1.904 2 5 0 -3.53161958749286 3747605 C1C(SC(=N1)NC2=CC(=CC=C2)[N+](=O)[O-])CBr 1 2.963 3 2 -4.6554400920602 3747586 COC1=CC=C(C=C1)CN2C(C(CCC2=O)C(=O)O)C3=CC=CC=C3 1 2.79 1 4 -5.89925142378821 3747580 C1=CC(=CC(=C1)F)CSC2=NC3=NC=C(C=C3N2)Cl 1 3.927 3 0 -2.13168867863924 3747502 CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)NC3=CC=C(C=C3)OC 1 2.92 3 3 -11.9258628583462 3747412 CC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CS4 1 3.256 8 2 0 -24.5768628537584 3747410 COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCCCC3CCO 1 2.614 3 4 0 -4.2819459765509 3747400 C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 2.181 2 3 -15.0386494930159 3747387 CCC(=O)N1CC23C=CC(O2)CC3CC14CCCCC4 1 2.398 1 2 -2.83287387492289 3747342 CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)F)C(=O)C(=CC4=CC(=CC=C4)OCC(=O)O)S2)C 1 4.123 2 6 0 -32.2964469906332 3747337 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3(C4=C(CC(CC4=O)(C)C)N(C3=O)C5=CC=C(C=C5)F)C(F)(F)F 1 3.766 3 3 -10.4380724681893 3747329 CCOC(=O)C(CCCCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)(C(=O)OCC)NC(=O)C 1 4.115 1 6 0 -11.901396003976 3747292 CC1=CC(=CC=C1)N2C(=O)CCC(=N2)C(=O)O 1 1.419 2 3 0 -8.70747982657733 3747291 CC(C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=C(C=CC(=C4)C(=O)O)OC 1 3.206 1 5 -12.5579819638586 3747284 CC(=O)N(CCC(C1=CC=CC=C1)C2=CC=CO2)CC3=CC=CS3 1 3.732 1 2 -9.92051791561174 3747276 C1=CC=C(C=C1)CC(CO)NC2=C3C=CC=CC3=NC4=CC=CC=C42 1 4.555 2 1 6.10153676642214 3747198 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CCCOC 1 1.756 4 4 0 -23.1341201076348 3747130 CC1(C2(CCC1(OC2=O)C(=O)NNC3=CC=C(C=C3)[N+](=O)[O-])C)C 1 2.444 3 5 0 -9.44854913691706 3747071 CC(=NNC(=O)CNC(=O)C1=CN=CC=C1)C2=CC=C(C=C2)Cl 1 1.237 4 2 0 -13.5880473349158 3747068 CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-] 1 4.884 4 4 0 -15.3789002088265 3747038 C=CCNC(=O)C1=CC=CC=C1S(=O)C2=CC=CC=C2C#N 1 2.54 2 2 -9.88346778721604 3747034 CN(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])O 1 0.853 3 4 0 -3.89832726480776 3747032 CC1(CC(CCO1)(CCN=CC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3OC)C 1 4.624 2 2 -11.9372632823716 3746973 CCC(C)C(C(=O)NNC(=O)C1=CC=NC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 1.744 5 5 0 -23.4481067637568 3746921 CC(C)CC1C(=O)N(C(=S)N1)CC2=CC=CC=C2 1 3.438 2 1 -6.95719091381805 3746911 CC(C(=O)O)SC1=NC=CN=C1 1 0.575 2 2 0 -7.5632617651323 3746892 CN(C)C=NC(=O)C1=CC(=CN1)C(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.327 3 2 0.8953546208645 3746886 C1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Cl)C(=O)O 1 3.574 0 3 -2.45817387065275 3746858 CC1(CC(=O)C(C(=O)C1)CC2CCCCC2=O)C 1 2.182 0 3 -7.70480975974978 3746857 CC1(CC2=C(C(=O)C1)C3(CCCCC3)C(C(=S)N2)C#N)C 1 3.128 2 1 -14.9089867661556 3746815 CC1=CC=C(C=C1)C=NNC(=O)NN(C)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.301 5 1 -1.29939638926631 3746804 CCOC1=C(C=CC(=N1)C2=C(C=C(C=C2)Cl)Cl)C#N 1 4.705 2 1 2.19687618356893 3746782 C1=CC(=CN=C1)C2=NOC3=C2N=CC(=C3)C(F)(F)F 1 2.5 3 1 2.38905032599522 3746730 C1=CC=C(C=C1)C2=CN=C(C(=C2)C#N)SC3=CC=CC=C3 1 4.734 2 0 1.0312197218923 3746718 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCCC3)N 1 2.634 3 3 -2.77241989259021 3746698 C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O 1 3.186 3 6 0 -8.7114723081814 3746696 C1=CC(=O)N(C=C1)CC(=O)C2=CC=C(C=C2)Cl 1 1.802 1 2 0 -4.619907230209 3746616 C=CCN1C(=NC=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.266 3 1 -5.56286491957872 3746589 CCC(C(=O)OC1=CC2=C(C=C1)C=CC(=O)O2)NC(=O)OCC3=CC=CC=C3 1 3.961 1 6 0 -13.8512923850702 3746558 CC1=CC2=C(C=C1)N=C(N=C2C)SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4 1 6.194 2 1 -2.62211656949984 3746437 C1=CC=C(C=C1)C2=CC=C(S2)C(=O)NC3=CC=CC=C3 1 4.377 1 1 -2.96371622848253 3746423 CN(C)CCCN=C(C1=C(C=C(C=C1)Cl)Cl)NO 1 2.635 3 1 2.20808751677986 3746408 C1CCCN(CC1)C(=O)C2=C(C=CS2)NC(=O)C3=CC=CC=C3 1 3.355 2 2 -11.8900658548678 3746366 CCCNC1=NC(=O)C2=CC=CC=C2N1 1 1.697 3 1 0 -4.34904902817176 3746326 CCCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC(=C(C=C2)OC)OC)O 1 3.927 1 5 -10.6709791232469 3746307 CN1C(=O)C2=C(NC1=S)SC=C2C3=CC=CS3 1 3.4 2 1 -4.59660685263632 3746305 COC1=CC(=C(C=C1)OC)C2C3=CC4=C(C=C3NC5=C2C(=O)OC5)OCO4 1 2.602 1 6 0 -13.4112296812712 3746304 CN1C=C(C=C(C1=O)C#N)C2=CC(=CC=C2)C(F)(F)F 1 2.142 2 1 0.694724009221297 3746303 C1=CC=C(C=C1)CON2C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl 1 3.431 2 1 6.19153532648469 3746274 CC(=NNC(=O)CN1CCN(CC1)CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.44 5 3 0 -6.10700908336069 3746269 C1COCCN1C(=NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3 1 2.902 3 5 0 -10.2878781006189 3746231 CCCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=NN3C=NN=C3)Cl 1 4.098 4 3 0 -2.46200339760127 3746188 C1CC(OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3CCCO3 1 0.188 6 4 0 -5.19124963576386 3746154 C1C2CSC3=C(C2C4=CC=CC=C4O1)SC(=O)N3CC(=O)NC5=CC(=C(C=C5)Cl)Cl 1 4.608 2 3 -5.66782675328858 3746048 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NN=CC3=CC=C(C=C3)Br 1 3.778 6 0 0.176627354253689 3746037 C[N+]1=C2C=CC=CC=C2SC13C(=CC(=[N+]([O-])[O-])C=C3[N+](=O)[O-])[N+](=O)[O-] 1 2.212 4 6 0 -4.04912487314599 3746002 CN(C)C1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3O2 1 3.041 4 1 -0.10105535117065 3745944 C1CN(CCC12N(CCO2)C(=O)C3=CC=CC=C3)C4=C(C=C(C=N4)C(F)(F)F)Cl 1 4.245 3 2 -1.53683275232421 3745929 COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6)OC 1 2.571 2 5 0 -14.7033259562164 3745892 CCCC(C)C(=O)N(CC1=CC=CC=C1)C2=CC=CC=N2 1 4.17 2 1 -8.51021648042007 3745852 CC1(CC2=C(C(CC(=O)N2C3=CC=CC=C3)C4=CC=C(C=C4)O)C(=O)C1)C 1 3.548 1 3 -10.9357572285427 3745781 CCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC 1 1.67 1 5 0 -17.6176940330521 3745727 CC(C1CC2CCC1C2)N3C(=NNC3=S)C4=CC=CO4 1 3.739 3 1 -0.462233502636849 3745707 CCCCCCC(=O)N(C1CC(=O)N(C1=O)C2=CC=C(C=C2)C)O 1 3.06 2 4 -8.82628009000401 3745691 C1CN(CCN1CCNC(=O)CC2=CC=C(C=C2)Cl)C(=O)CC3=CC=C(C=C3)Cl 1 3.456 3 2 -12.2320727456107 3745686 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4S3 1 3.89 2 2 -5.39460645178545 3745673 CC(C)C(=O)NNC(=O)C1CC1(C2=CC=CC=C2)C3=CC=CC=C3 1 2.952 2 2 -4.95254460852155 3745640 CC(=O)NC1(CCCC1)C2=NN=NN2CCOC(=O)NC3=CC=C(C=C3)Cl 1 2.009 6 3 0 -14.8458115196101 3745584 C1COC2=C(O1)C=CC(=C2)C3CC(=O)C4=CC=CC=C4O3 1 2.885 0 4 -3.6780113548558 3745560 CC1=CC=C(C=C1)C2C(=CC(=O)O2)C3=CC=CC=C3 1 3.965 0 2 0.541717220597665 3745510 CCOC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C 1 1.184 2 5 0 -11.4331538508796 3745465 C1=CC=C(C=C1)C(=NNC(=O)N)CCCCCCC(=NNC(=O)N)C2=CC=CC=C2 1 3.453 6 2 0 -6.78462278584932 3745303 COC1=C(C=C(C(=C1)N2C=CN=C2SC)Cl)Cl 1 3.895 2 1 -0.568918022254339 3745249 C1CCC(CC1)N2C(C(CC2=O)C(=O)O)C3=CC=CC=C3 1 2.625 1 3 -3.69383122792408 3745242 CC(CC1=CC=CC=C1)NC(=O)NC(=O)C 1 1.435 2 2 0 -5.14783032778637 3745226 C=CCSC1=NC2=C(C(=O)N1C3=CC=CC=N3)SC=C2 1 3.771 3 1 -21.205858265666 3745212 COC1=C(C=C(C=C1)C=NNC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl)OC 1 5.503 4 2 0.253683519999976 3745163 C1CCC(CC1)NC(=O)C2=CC(=CN2)C(=O)C3=CC=CC=C3Br 1 4.434 2 2 -5.14411491682893 3745114 C1=CC=C(C=C1)CC(CC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)O 1 3.688 1 3 -1.87572004160395 3745102 CC1=NOC(=C1)NC(=O)C2=CC=C(C=C2)C#N 1 1.354 3 2 0 -8.70319084637034 3745100 CC1=CC(=O)N=C(N1)CN2CCOCC2 1 -0.54 3 2 0 -10.4135462117732 3745099 C1=CC=C2C=C(C=CC2=C1)C=NN3C(=O)C=C(N=C3N)C(F)(F)F 1 2.974 4 1 1.55267620096895 3745043 C1=CC=C(C=C1)COC(=O)NC(C#N)C2=CC=CC=C2 1 3.05 2 2 -6.45789698002585 3744999 CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)N)C 1 1.496 4 3 0 -1.95619776766293 3744995 CC1=CC=C(O1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC5=C(O4)C(=CC=C5)OC 1 2.224 2 7 0 -19.1159302705705 3744985 COC1=CC=C(C=C1)CN2CCOCCOCCN(CCOCCOCC2)CC3=CC=C(C=C3)OC 1 2.888 2 6 0 0.414759260384768 3744961 CC1(CCCN(C1)C(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NCCO)C 1 3.001 2 4 -1.94204810953797 3744935 CC1CN(CCN1C2=CC=CC(=C2)C)CC3=CN=C(S3)Cl 1 3.806 3 0 0.649648790216925 3744932 CN(C)C=NC1=NC=CC(=N1)C2=CC=CS2 1 1.98 4 0 0 -0.479096947769949 3744899 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4 1 1.555 4 4 0 -1.20593462252337 3744898 C1CN(CCN1C2=CC=C(C=C2)C(=O)N)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.619 4 1 1.47995041064439 3744897 CCOC1=CC=CC=C1C2C3=CC4=C(C=C3NC5=C2C(=O)OC5)OCO4 1 2.967 1 5 -15.8530184134066 3744794 CC1=C(C=C(C=C1)OCC(=O)N(CC2=CC(=CC=C2)Cl)C3CCS(=O)(=O)C3)C 1 3.807 1 4 -11.2306383090611 3744771 COC1=C(C=C(C=C1)C=NNC2=NC=C(C(=N2)N3CCOCC3)F)OC 1 1.495 5 3 0 -9.14495647221525 3744764 CC1=NC2=C(C=NN2C(=C1)SCC=C)C3=CC=CC=C3 1 3.601 3 0 -6.9815822206246 3744755 C1C(N1C2=CC=C(C=C2)Cl)C3=CC=NC=C3 1 2.936 2 0 4.15065730822323 3744713 C1CC(OC1)CN2C(=O)C3C4CC(C3C2=O)C(C4Br)Br 1 1.543 1 3 0 -10.4709723493966 3744712 CC1C=CCC2C1C(=O)N(C2=O)C3=NOC(=C3)C 1 1.401 2 3 0 -7.11805687886657 3744711 CC1=C(C=C(C=C1)C(=O)O)NC(=O)CN2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br 1 3.513 2 5 0 -16.4124995987401 3744627 CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)N(C)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.938 5 5 0 -6.05933888247411 3744606 CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4 1 3.607 4 2 6.73965458530804 3744604 CC1=C(C=C2C(=CC(=O)OC2=C1)CNC3=CC=C(C=C3)N(C)C(=O)C)O 1 2.822 2 4 -6.38114345821963 3744576 C1=CC=C(C=C1)N2C(C(=C(C2=O)O)CC(=O)O)C3=CC=C(C=C3)Cl 1 2.887 1 4 -8.46690153011555 3744541 CC1(C2COC3=CC=CC=C3C2C4=C(O1)N(C(=O)N(C4=O)C)C)C 1 1.863 2 4 0 -12.1688827875541 3744539 CC1=CC2=C(C=C1)NC(=O)C3=C(O2)C=CC(=C3)NC(=O)CCl 1 2.484 2 3 -12.8550968022318 3744538 CC(=NOC(=O)C1=CC(=CC=C1)OC)C2=NC=CN=C2 1 1.235 3 3 0 -4.87011654673942 3744534 C1=COC(=C1)C2=C(C(=O)N(C=C2)CC3=CC=C(C=C3)F)C#N 1 2.384 2 2 -3.49440187649359e-002 3744533 C1=CC=C(C(=C1)C=NNC2=NC=NC3=CC=CC=C32)F 1 3.114 4 0 6.16877190394697 3744387 CC1(CC2=C3C(=C(SC3=NC(=C2CN1C)N4CCOCC4)C#N)N)C 1 2.283 5 1 -3.40232910179433 3744380 CCCCCCC1=C(NC(=NC1=O)N2C(=O)C(=C(N2)C)CCO)C 1 2.013 4 3 0 -9.55781369366888 3744368 CN(C)C1=NN(C(=N1)N(C)C)C(=O)C2=CC=CS2 1 1.344 5 1 0 -4.22482405337954 3744321 CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCCCN3C=CN=C3 1 0.239 5 3 0 -4.48419250445501 3744337 CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=NC=CS4 1 2.86 3 3 -14.2574104701625 3744327 CC1=C(C2=C(N1C)C=CC(=C2)OC)C=NNC3=NC4=CC=CC=C4N3 1 3.497 5 1 5.86022171912274 3744304 C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)O)N3CCOCC3 1 3.022 3 3 -17.1349862135349 3744286 C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)CC4=NN=C(O4)SCC5=CC=C(C=C5)F 1 6.655 3 1 -5.48708545915281 3744277 CN(C)CCOC1=CC(=CC(=C1)Cl)Cl 1 3.281 1 1 1.50052857943343 3744250 CC(C)(CO)C(C(=O)NCCC#N)O 1 -0.81 2 3 0 -10.8965548488921 3744224 CC1C(=O)N(C(=N)N1C2=NC(=NC(=N2)N(C)C)N(C)C)C3=CC=C(C=C3)Cl 1 2.371 8 1 0 -4.90802103760305 3744223 C1CCC(CC1)NC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.955 4 4 0 -11.3920697556371 3744207 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 3.023 5 5 0 -14.9117408444721 3744170 C#CCNC(=O)C1=CC=CN1C2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.393 3 1 -2.51081369680174 3744049 CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2 1 2.321 3 3 -15.8854319686195 3743979 CC1(CC(=O)C(C(=O)C1C(=O)OC)C(=O)CCCCC(=O)OC)C 1 1.292 0 7 0 -12.2523585818035 3743953 C1=CC(=C(C=C1Cl)Cl)C2=NOC3=C2N=CC(=C3)C(F)(F)F 1 4.979 2 1 7.67390923344685 3743946 C1=CC(=CC=C1C2=NOC3=C2N=CC(=C3)C(F)(F)F)[N+](=O)[O-] 1 3.545 3 3 3.18313329404112 3743945 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.342 3 3 -1.51870119872305 3743943 C1=CC(=C(C=C1Cl)Cl)C(=O)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 5.447 1 1 5.12817185288756 3743912 CC1=CC(=NC2=C(C(=NN12)C3=C(N(N=C3)C)C(F)(F)F)Cl)C 1 3.163 5 0 -4.97161365098843 3743910 CN(C1=CC=CC=C1)C2=NC(=NC(=C2)CSC)C3=CC=CC=C3 1 4.093 3 0 1.55661558207069 3743865 CC(C)(C)N=C1C(=CC=C2C1=NC3(N2O)CCCCC3)[N+](=O)[O-] 1 2.367 4 3 0 -1.37132026043948 3743840 COC(=O)C1=CC(=C(C=C1)N)CS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.712 1 4 -7.05207448614752 3743828 CC1=CC(=CC=C1)S(=O)(=O)CC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 3.422 2 3 -4.22017364104034 3743824 CN(C)C1=NC(=NC2=CC=CC=C21)SC 1 2.532 3 0 -0.850515284440607 3743814 COC1=CC=CC=C1N2C(=O)CC2(C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4 1 4.053 2 3 -5.27645591219846 3743801 CC1=CC(=NC(=N1)NN=CC2=CC=CC=C2OCC3=CC=CC=C3)C 1 3.686 4 1 -2.99133323481345 3743784 C1=CC(=CN=C1)CNC(=O)CCCCCCCCCCC(=O)NCC2=CN=CC=C2 1 3.312 4 2 -15.4146000470271 3743768 C=CCNC(=O)C1=NC=CC(=C1)Cl 1 1.597 2 1 0 -11.0971825267252 3743685 CC(C)(C)C1=CC=CC=C1OCCCCCN2C=CN=C2 1 4.054 2 1 4.5694016818819 3743674 CC1C=C(C2C(C1(COC2C3=CN=CC=C3)CO)C)C 1 1.84 1 2 0 6.36989296325078 3743652 C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CS4 1 1.195 2 5 0 -4.73497804036746 3743643 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=CC(=C3)C(=O)O)C)C 1 2.618 1 4 -17.9269428214508 3743611 CC1=NC(=NN1C2=CC(=C(C=C2Cl)Cl)OC(C)C)C(=O)NC3=C(C=CC(=C3)Cl)Cl 1 5.887 4 2 -3.14947263544611 3743587 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2CCS(=O)(=O)C2 1 1.2e-002 2 6 0 -17.3206846119017 3743586 C1CS(=O)(=O)CCN1CC2=CC=C(C=C2)Cl 1 1.984 1 2 0 1.17344176012147 3743550 COC1=CC=CC(=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CSC=C4 1 3.3 4 2 -6.81875416029008 3743404 COC1=CC=C(C=C1)C(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 1 2.058 1 4 -14.6379073111305 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CC1=CC2=C(C=C1)SCC(C2=O)NC(=O)C3=CC(=C(C=C3)Cl)Cl 1 4.604 1 2 -2.40351609993535 3743049 COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4 1 4.605 2 2 -5.40894427210413 3743038 C1=CSC(=C1)C=NN2C(=NNC2=S)C3=CC=CS3 1 3.654 4 0 -7.20142636561275 3743019 CC(C)(C)C(=O)NC1(C(=O)N(C(=O)N1)CC2=CC=CC=C2)C(F)(F)F 1 2.766 3 3 -9.44933542321261 3743013 CC(C)OC(=O)C1C2C=CC3(C1C(=O)N(C3)C(C)C4=CC=C(C=C4)Br)O2 1 2.614 1 4 -1.14708577041007 3743011 CC(C1=CC=C(C=C1)Br)N2CC34C=CC(O3)C(C4C2=O)C(=O)O 1 1.663 1 4 0 0.339098506369975 3742991 COC1=C(C=C(C=C1)C(C#N)C2=NC=CN=C2)OC 1 1.332 3 2 0 -4.4043174701487 3742960 C1=CC2=C(C(=O)N=C2C=C1)NN3C(=NNC3=S)N 1 0.305 6 1 0 -7.78046010974565 3742915 CCC1C(=O)NC2=CC=CC=C2N1C(=O)COC3=CC=CC=C3 1 2.47 2 3 -15.3709680867494 3742911 CC(CCC=C(C)C)CCN(CCCN(C)C)C(=O)C 1 3.187 2 1 -6.00852809549074 3742880 C1=CC=C2C(=C1)C=CC=C2C3C4(O3)C(=O)C5=CC=CC=C5C4=O 1 3.383 0 3 -0.463126745178058 3742858 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)Br 1 4.444 2 5 0 -14.2770701890087 3742855 C=CCOC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl 1 4.812 2 1 1.95061145414569 3742692 CCOC(=O)C(=CNC1=C(C=C(C=C1)C(C(=O)OCC)(C(F)(F)F)O)C)C(=O)OCC 1 3.05 1 7 0 -5.11146164139508 3742591 CC(=NNC1=CC=CC=C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-] 1 3.218 4 4 0 -5.83024651465112 3742567 CC1=CC=CC2=C1N(C3=NC4=CC=CC=C4N=C23)C 1 4.107 3 0 -1.16922971178613 3742518 CNC(=O)C12C(=NNC=N1)N(C(=O)N2C)C 1 -1.654 6 2 0 -11.7721202806852 3742515 COC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=NC=C3)OC 1 2.835 2 4 -8.67820611397039 3742475 CCOC(=O)C1=CSC(=N1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.737 2 4 -3.64318627027183 3742474 COC(=O)C1=CC2=CC=CC=C2N1CC3=CN=C(C=C3)Cl 1 3.782 2 2 -4.32348363485387 3742452 C1=CC(=CN=C1)C2C(=C(OC3=C2C4=C(C=CC(=C4)O)C=C3)N)C#N 1 2.377 3 2 -1.96791586491589 3742423 CNC(=S)N=CNOCC1=C(C=C(C=C1)Cl)Cl 1 3.187 3 1 1.3153565810928 3742389 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.834 3 5 0 -3.60249780409011 3742367 CC1=CC=C(C=C1)N2C(=C(C(=O)N2)C3=CC=CC=N3)C 1 2.769 3 1 -1.29428256493837 3742300 CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C)Cl 1 5.018 1 6 0 -19.0873193821251 3742273 CCCCCCC(=O)OC1=CC=C(C=C1)N2C(=O)CCC2=O 1 3.249 1 4 -16.6016468266546 3742197 CN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=CC=C2 1 4.031 2 1 -9.07558583540674 3742181 CCCOC1=NN=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)N5CCOCC5 1 3.179 5 3 0 -14.2696139475734 3742146 C1C(C(=O)NN=C1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl 1 3.872 2 1 -3.04092605631905 3742133 CC(C(=O)OC)SC1=NNC(=S)S1 1 2.829 2 2 -11.1138953714442 3742079 CCSC1=NN=C2N1C3=C(C4=C(S3)CC(CC4)C)C(=O)N2C5=CC=C(C=C5)OC 1 5.092 4 2 -21.53685697328 3742018 C1CCC2C(C1)C(=O)N(C2=O)NC(=O)C3=CC=CO3 1 1.108 2 4 0 -6.70054884439749 3741987 CC(C)(C)C1=CC=C(C=C1)COC(=O)NC2=CC3=C(S2)N(N=C3C(F)(F)F)C 1 5.462 3 2 2.78172446653072 3741971 C1=CC=C(C=C1)CCN2C(=O)C(NC2=O)(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.573 3 4 0 -2.42071276406412 3741958 CCC(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 4.952 3 2 -4.38624887036832 3741854 CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)C3=CC=CC=C3 1 3.194 1 3 -3.34087412038661 3741850 CC1=NN(C(C1)(C2=CN=CC=C2)O)C(=O)CC3=CC=C(C=C3)OC 1 1.22 3 3 0 -7.34263861257606 3741806 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N(C)S(=O)(=O)C3=CC=C(C=C3)C 1 3.983 2 4 -7.9423481957571 3741800 CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.324 7 2 0 -5.91079467940314 3741744 CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)COC3=C(C=CC=C3C)C 1 4.085 1 4 -16.4789040825781 3741742 CC(CNC1=NC(=C(S1)C#N)Cl)O 1 1.045 3 1 0 -0.240378597943508 3741741 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3 1 0.665 4 4 0 -10.5561536376208 3741737 COC(=O)C1=CC=CC=C1OC2=CC=C(C=C2)NC(=O)CCCl 1 3.146 1 4 -6.84674965467775 3741724 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 3.422 2 3 -4.34184543759767 3741721 COC(=O)C1CSC(N1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 3.966 1 3 -8.6144204593963 3741720 CN1CCN(CC1)CC2C(N(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 2.693 3 2 1.51768459534451 3741663 CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CO4)OCC 1 2.272 2 7 0 -25.9076521126193 3741646 C=CCNC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.691 3 1 -8.49635491395044 3741616 CC1CCCCC12NC(=S)N(N2)C3=CC=CC=C3 1 4.148 3 0 2.93238674836048 3741560 CC1=NN(C2=C1CC(C2)C(=C)C)C3=CC=CC4=CC=CC=C43 1 4.938 2 0 2.27824464250013 3741479 C1=CC(=CC(=C1)Br)CSC(=C(C#N)C#N)NC2=CC=C(C=C2)F 1 5.117 3 0 -9.10456593557853 3741471 C1CCN(CC1)CCN2C3=CC=CC=C3N=C2NCC4=CC(=CC=C4)Br 1 4.817 4 0 -3.26076481781297 3741377 CCOC1=CC2=C(C=C1)C=C(C(=O)N2)C3CC(=NN3S(=O)(=O)C)C4=CC=CO4 1 1.652 3 5 0 -6.75387539498984 3741364 CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=CC=C(O3)COC4=C(C(=CC=C4)Cl)Cl)SC1)C(=O)O 1 2.788 2 8 0 -12.1571058238368 3741352 CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)N=CN(C)C 1 3.399 3 2 -0.523921240507035 3741327 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(C3=CC=C(C=C3)Br)C(=O)N 1 4.514 1 2 -3.79443296811828 3741306 COC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC(=CC=C4)OC 1 2.784 8 4 0 -22.7799964699912 3741252 CC1=CC=CC2=C1N=C(C=C2C)N3CCCC3 1 3.531 2 0 3.09369198237089 3741249 COC1=CC=C(C=C1)C(=O)NCCNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F 1 3.86 2 5 0 -13.5084609907622 3741108 CC1(CC2=C3C4=C(C(=NC=N4)N5CCOCC5)SC3=NC(=C2CS1)N6CCOCC6)C 1 2.953 5 2 0 -8.45490311459724 3741095 COCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 3.275 5 4 0 -20.9879421836296 3741039 CCOC(=O)CSC1=NC(=C2COC(CC2=C1C#N)C(C)C)N3CCOCC3 1 3.183 3 4 0 -18.3041727112884 3740993 CCOC(=O)N1CCN(CC1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C 1 3.293 2 4 -5.84448953849591 3740927 C1=CC=C2C(=C1)N=CC(=N2)SC3=CC=CC=C3Cl 1 4.616 2 0 1.20567346521168 3740926 C1C2=CC=CC=C2C(=O)N1C(CC(=O)O)C3=CC=C(C=C3)C#N 1 2.218 2 3 -12.3713291094589 3740925 CC1=NN(C(=O)N1C2=CC(=CC=C2)OC)CCOC3=CC=CC=C3 1 2.813 3 3 -2.96291705012495 3740923 CC1(COCN1C(=O)C2=CC=C(C=C2)C#N)C 1 1.375 2 2 0 -6.51908890136243 3740917 CC1=C(C(=O)N(N1)C2=NC(=O)C=C(N2)C3=CC=CC=C3F)CCO 1 0.726 4 3 0 -7.0087484083319 3740834 C1=CC=C(C=C1)C(=O)NC(C2=NNC(=O)C3=CC=CC=C32)C(=O)NN=CC4=CC=NC=C4 1 1.461 6 3 0 -19.5314147133973 3740848 CCCCOC1=C(C=C(C=C1)CON(C(=O)C)C(=O)C)Cl 1 2.769 1 4 -2.00597427884038 3740868 C1=CC=NC(=C1)C2=NC(=CC(=N2)SC3=CC=CC(=C3)C(F)(F)F)C(F)(F)F 1 5.919 3 0 6.56473146313831 3740831 CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC=CO3 1 2.537 3 2 -8.0131060665882 3740820 C=CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CS4 1 2.766 2 5 0 -26.6764713976504 3740801 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4 1 2.235 4 3 0 -1.08799153433714 3740755 C1=CC=C(C=C1)COC2=CC=CC=C2C=NNC(=O)C3=CC=CO3 1 3.645 2 3 -4.38266081098122 3740693 CC1=C(C(=NO1)C)N=NC2=CC=CC=C2OC 1 3.065 3 2 2.1175836833398 3740692 COC1=CC=CC=C1N2C(=O)CC(C2=O)N(C3=CC=CC=C3)O 1 2.495 2 4 -6.14871867516923 3740686 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)F 1 3.26 2 4 -20.0311328695081 3740678 CCOC(=O)C1CCN(CC1)CC(=O)NC2=C(C=CC3=C2C(=C(N3C)C)C(=O)OCC)OC 1 2.465 3 6 0 -11.0598499906423 3740626 CCCCC(=O)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2 1 2.342 4 4 0 -9.51730765034859 3740598 CN(C)C=NNC(=O)C1=CC=C(C=C1)Cl 1 1.259 3 1 0 -3.47385797741804 3740545 CCCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)OC)O 1 3.944 1 4 -7.09267538310443 3740589 CCOC(=O)C1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C)C4=CC=CC=N4 1 2.579 4 3 0 -8.64330588820023 3740528 CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)CC4=CC=CC=C4 1 4.416 2 2 -1.30607539516512 3740524 CC(C)CCN1C(=O)C2=C(N=C3N2CCCN3CC4=CC=CC=C4)N(C1=O)C 1 3.029 5 2 0 -11.7261313218455 3740509 CC(C)CC(=O)N1CCC(CC1)(CS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)O 1 2.746 1 4 -8.72603727838157 3740505 CCCCC(=O)NCCNC(=O)C1=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F 1 3.791 2 4 -20.4377808076233 3740485 C=CCOC1=CC=CC(=C1)C=NNC(=O)CN2CCCCC2 1 2.542 3 2 -10.997118631782 3740466 CNC(=O)NC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-] 1 0.897 5 3 0 -2.68356442848942 3740458 COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)CN4C=C(C=N4)[N+](=O)[O-] 1 1.964 5 5 0 -26.1603145967134 3740446 CCCCN1C(=CC(=C(C1=O)S(=O)(=O)C2=CC=CC=C2C)C)C 1 3.464 1 3 -10.2295589941999 3740436 C1COCCN1C(=O)CSC2C3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 2.341 2 3 -14.6210280632874 3740369 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)OC3=NC=CC=N3)Cl 1 3.268 3 4 0 -2.46856056297584 3740305 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 2.606 6 6 0 -16.562223954234 3740241 COC1=CN=C(N=C1SC2=CC(=CC=C2)Cl)C3=CC=CC=N3 1 4.254 3 1 5.07384260738175 3740208 CC1C(=O)NC2=CC=CC=C2N1C(=O)C3=C(C=CC=C3F)F 1 2.522 2 2 -13.9352261618197 3740206 CC1(C(=O)NC2=C(O1)C=CC=N2)C(=O)NCC3=CC(=C(C=C3)Cl)Cl 1 2.641 3 3 -7.67492762215166 3740150 CC1CC(CN(C1)CC(=O)C2=CNC3=CC=CC=C32)C 1 3.425 2 1 -4.51453690446362 3740145 CC(C)(C)C1=CC(=O)N=C(N1)SCC2=CC=CC=C2 1 3.668 2 1 -10.5802627747267 3740144 CC1=CC(=CC(=C1)N=C(C2=CC(=CC=C2)[N+](=O)[O-])NO)C 1 3.548 3 3 -1.16015342190599 3740124 CC1=CC=C(C=C1)OCC(=O)NN=C(C)CC(=O)NCCCN2CCOCC2 1 0.589 4 4 0 -13.1205419821164 3740079 COC1=CC=CC(=C1)C=NNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F 1 4.649 2 4 -8.90144127220111 3740021 CN1C(=C(C(=N1)C2=CC=CC=C2)C(C3=CC=CC=C3C(F)(F)F)O)Cl 1 4.835 2 1 2.76185148948299 3740013 C1CCN(CC1)C(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NCCO 1 2.408 2 4 -3.71043657907007 3740004 CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4 1 3.551 5 3 0 -17.2977392299492 3739981 C1C(ON=C1C2=CN=CC=C2)C(=O)NNS(=O)(=O)C3=CC=CC=C3 1 0.191 4 4 0 -11.0030970496694 3739972 CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=CN4C=CC=NC4=N3)C 1 2.805 4 2 -12.996704467132 3739910 C1CN(CCN1CC(=O)N2CCOCC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl 1 0.727 3 4 0 -20.1345085107367 3739900 C1=CC=NC(=C1)C2=C(SC3=C2N=CC(=C3)C(F)(F)F)C(=O)NN 1 2.51 4 1 3.03748858328149 3739894 CC(CNC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2)NC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1 4.285 6 6 0 -2.70867100902621 3739800 CCN1C(=C(C(=N1)C)[N+](=O)[O-])C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 2.003 5 4 0 -4.57310009930979 3739773 CC(=NNC(=S)N)CC(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F 1 2.678 4 1 -4.82639457484598 3739767 COC1=C(C(=CC=C1)OC)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 5.072 2 3 -3.2083402985759 3739733 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)NNC3=NC4=CC=CC=C4S3 1 2.482 4 2 0.757160211140751 3739729 CC1=C2CCN(C2=NC(=N1)SC)C3=CC=C(C=C3)O 1 2.887 3 1 1.06960262914741 3739727 C1=CC=C(C=C1)NC(=O)NCCNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F 1 3.785 3 4 0 -13.9384789358882 3739687 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C3C2OCCO3)S(=O)(=O)C4=CC=C(C=C4)C 1 2.459 2 6 0 -11.3251178375441 3739684 COC1=C(C=C(C=C1)C=NO)OC2=NC(=CC(=N2)OC)OC 1 2.988 3 5 0 -5.05173452973969 3739682 CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C3=C(C=CC=C3F)F 1 1.214 4 3 0 -9.81860967464704 3739681 CCCCC(=O)NC1=NC(=NC=C1)C2=CN=CC=C2 1 1.759 4 1 0 -8.02311416913613 3739660 CC(=NNC(=O)C)C1COC2=CC=CC=C2O1 1 0.762 2 3 0 -4.2381304398286 3739638 C1CCN(C(C1)C2=CN=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)Br 1 4.574 3 1 -5.71660447628779 3739574 CC1=CC(=C(C(=O)N1CC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC=C3)C 1 4.561 1 3 -5.87854389361916 3739568 CC1=NN(C(=O)N1N(C)C2=C(C=C(C=N2)C(F)(F)F)Cl)CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.899 6 3 0 -1.94371182619729 3739544 CC(C(=O)NCC1CCC(CC1)C(=O)O)OC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3 1 3.778 1 6 0 -24.3265995558821 3739463 CC(C)C1(CCOC(C1)(C)C)CCNC(=O)C2=CC=CS2 1 3.296 1 2 -12.678680819572 3739449 CN1C2C(NC1=O)N(C(=O)N2C)N=CC3=CC=CC=C3 1 0.857 5 2 0 -5.43837595476554 3739401 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=C(OC=C2)C 1 1.025 2 3 0 -0.573080907576384 3739388 CNC(=O)C1=CC=CN1C2=C(SC=C2)C(=O)OC 1 2.014 2 3 -9.79096235448785 3739314 CCC(CO)NC(=O)C1=CC=CC=C1C(F)(F)F 1 2.342 1 2 -6.27613036550382 3739292 CNC(CC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(Cl)(Cl)Cl 1 2.808 2 3 -3.37132027627886 3739233 COC1=CC=CC=C1P(=O)(CC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3 1 4.862 1 4 -7.64952824263383 3739207 COC(=O)C1=C(C=CS1)N2C=CC=C2C(=O)NCC=C 1 2.631 2 3 -13.3176096183206 3739201 CC1=C(C(=O)N2C(=N1)N(C=N2)COCCO)Br 1 -0.3 4 3 0 -6.92091945727604 3739193 CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CS4 1 3.102 8 3 0 -25.7560522146105 3739153 C1CCC2(C(C1)CC3CCCCC3(N2N)C#N)C#N 1 2.348 4 0 -2.03444908951484 3739152 C1CC(=C(C1)NNC(=O)C2=CC=CC=C2Cl)C(=O)C(F)(F)F 1 3.141 2 2 -7.73116680637757 3739108 CC1=CC=C(C=C1)N2C(=O)CC3=CC=CC=C3C2=O 1 2.96 1 2 -2.82214910660504 3739063 CC1=CC=C(O1)C2=CC(=CC=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4 1 2.551 1 4 3.18879680613779 3739036 C1=CC=C(C=C1)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O 1 5.065 1 4 -10.2495633429001 3739008 C1=CC=C(C=C1)CCNC2=C(C=CC=N2)[N+](=O)[O-] 1 2.826 3 2 -3.1836409681579 3739000 COCCNS(=O)(=O)C1=CC=CN1C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.606 3 3 -3.80973315072076 3738926 CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])OCC 1 2.741 2 6 0 -16.115144114195 3738927 CN1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)C45CC6CC(C4)CC(C6)C5)N 1 3.87 3 1 -7.37342865946108 3738940 C1=CC=C(C=C1)N2C(=O)C(SC2=N)CC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 2.796 4 4 0 -12.20799918101 3738890 CN(C)S(=O)(=O)OC1=C(SC=C1)C(=O)NC2=CC(=CC=C2)Cl 1 2.381 2 4 -6.66077708982218 3738842 CCOC1=CC=CC=C1C2C3CCCCC3(CCN2C(=O)C4=CC=CS4)O 1 3.836 1 3 -11.6798189385145 3738806 CC1=CC=CC=C1C2C3=C(C4=CC=CC=C4C3=O)NC5=C2C(=O)N(N5)C6=CC=CC=C6 1 3.869 3 2 -8.28621251428686 3738801 CC(C)(C)OC(=O)C1=CN=C(S1)N=CN(C)C 1 0.767 3 2 0 -3.82988948888988 3738741 CCCCCCN1CCN(CC1)C2=CC=C(C=C2)Cl 1 4.855 2 0 6.34390181825894 3738739 CCN(CC)CC(=O)NN=C(C1=CC=CC=C1)C2=CC=CC=C2 1 3.367 3 1 -7.50695846323135 3738653 CCOC(=O)C(CC(=O)O)NCC1=CC=CO1 1 -2.235 1 5 0 -12.4811437199966 3738615 CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NNC(=S)N34)C5=CC=CC=C5 1 4.374 4 2 -14.0096404740119 3738614 COC1=C(C=C(C=C1)C(C2=NC=CN2CC3=CC=CC=C3)O)OC 1 2.781 2 3 -10.1505377386612 3738563 CS(=O)(=O)N(CC(CN1C2=CC=CC=C2C3=CC=CC=C31)O)C4=CC=CC5=CC=CC=C54 1 4.692 2 3 -2.51729545201639 3738549 CC1=[N+](N(C(=O)C1N=CC2=C(C=CC=C2Cl)Cl)C3=CC=CC=C3)C 1 4.11 3 1 0.579682415261677 3738493 CC(C1=CC2=C(CCCC2)C=C1)NC(=O)CCCCCCN3C(=O)C4=CC=CC=C4C3=O 1 5.334 2 3 -17.4756283992199 3738457 CCOC(=O)C1(C(CC(=O)N1)C2=CC=CC=C2)C(=O)O 1 0.829 1 5 0 -2.93427995504053 3738442 CC(C)OP(=O)(C(C(=O)N)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])OC(C)C 1 0.971 3 7 0 -14.5081284998384 3738436 COC1=CC=C(C=C1)C2CC(=O)N(C3=C2C(=O)CCC3)C4=CC=CC=C4 1 3.316 1 3 -11.7138167859514 3738435 CCOC1=CC=C(C=C1)N2C(=O)C3C(C4=C(NC(=O)S4)SC3C2=O)C5=CC(=C(C=C5)OC)OC 1 3.582 2 6 0 -8.5813736318681 3738431 CCCCNC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-] 1 3.242 3 4 0 -3.06478532677537 3738354 COC(=O)CC(C1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC=CC=C3F 1 2.487 2 5 0 -11.5908312142597 3738352 C1CN(C2=C(C=C(C=C2)C(F)(F)F)NC1=O)S(=O)(=O)C3=CC=CS3 1 2.307 2 3 -10.632304771296 3738326 CC1=CC=C(C=C1)S(=O)(=O)N2CC3CCCN3C4=C2C=C(C=C4)C(F)(F)F 1 4.422 2 2 -2.67995368001974 3738288 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC 1 1.293 2 5 0 -11.7003543562028 3738250 CCC1C2(C(=N)OC(O1)(C(C2(C#N)C#N)C3=CC=CC=C3)C)C#N 1 1.701 4 2 0 -3.00885971055875 3738248 CCC1CCCCN1CC(=O)C2=C(NC3=C2C=CC(=C3)C)C 1 4.319 2 1 0.390640492236849 3738243 CCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=C(C4=C(O3)C=C(C=C4)C)C 1 4.235 1 5 -6.04129547699643 3738221 COCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)Cl)N3CCOCC3 1 3.15 3 2 -6.23254099496372 3738180 C1=CC=C(C=C1)C2=CN=C(C(=C2)C#N)SC3=CC=C(C=C3)Cl 1 5.398 2 0 4.06941509984347 3738166 CCCCC1=CC=C(C=C1)S(=O)(=O)NCCCN2CCCC2=O 1 2.312 2 3 -19.3129483907496 3738115 CC(CCC1=CC=CO1)N(C)S(=O)(=O)C2=CC=C(C=C2)OC 1 2.642 1 4 -4.17182053733844 3738018 CC1=CC=C(C=C1)NC(C#N)C2=CC=C(C=C2)OC 1 3.558 2 1 -2.29069546649909 3738009 CC1CCN(CC1)C(C)C(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC 1 3.033 3 4 0 -13.6557238716476 3737946 CC1(C2(CCC1(OC2=O)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C 1 4.31 2 3 -12.53787159616 3737943 CCN1C(=O)C2=C(N=C1SCC(=O)NCCC3=CC=CC=C3)SC4=C2CCN(C4)C 1 3.562 4 2 -29.3073187047316 3737942 CC1=CC(=CC(=C1)N2C(=O)CC3(C2=O)CC(=NN3C(=O)C)C(=O)OC)C 1 1.098 3 5 0 -10.2057066595589 3737909 CC1=NC(=NN1C2=CC(=C(C=C2Cl)Cl)OC(C)C)C(=O)NC3=C(C=C(C=C3)Cl)Cl 1 5.887 4 2 -3.22163359954379 3737908 CCCCSC1=CC(=O)N(N=C1C(=O)OCC)C2=CC=CC=C2 1 3.481 2 3 -8.43509500942269 3737885 C1CN(CCN1C2=CC=CC=C2)C(=S)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 5.396 3 3 2.65785025396876 3737884 CCCC1C2C(C(=O)N(C2=O)C3=CC=C(C=C3)OC)ON1C4=CC=CC=C4 1 3.622 2 4 -5.88283215182881 3737705 CC(CN1C=NC2=CC=CC=C21)C(=O)NN=CC3=CC(=CC=C3)OC 1 2.95 4 2 -7.30508338650409 3737577 COC(=O)C1=CC=C(C=C1)C=NNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 2.015 3 4 0 -10.3719826057121 3737559 CCCCN1C(=O)C2=C(N=C3N2CCCN3CC4=CC=CC=C4)N(C1=O)C 1 2.777 5 2 0 -9.95493132972876 3737524 COC1=CC=C(C=C1)CC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)O 1 1.637 2 5 0 -16.4037976345109 3737511 CCOC(=O)C1=CC2=C(C(=C(N2C=C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C(=O)OC 1 3.167 2 9 0 -12.2872018813223 3737427 CCOP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)C(=O)O)OCC 1 3.063 1 5 -11.3376771762837 3737471 CCN1C(=NN=C1SC(C)C)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 3.056 4 3 0 -17.5857697304672 3737466 COC1=CC(=C(C=C1)OC)C2CC(=NN2C(=S)NC3=CC=CC=C3)C4=CC=CC=C4 1 5.786 3 2 -11.6593167267149 3737447 C1=CN(C=C1)C2=C(C(=CC=C2)N3C=CC=C3)C#N 1 3.461 3 0 -3.98523578017357 3737444 CN1C=C(C2=CC=CC=C21)C(=O)N3CCCCC3 1 2.66 2 1 -6.08595770589604 3737424 COC1=CC(=C(C=C1)OC)NC(=O)C2=CN=C(C=C2)N3C=CC=N3 1 2.196 4 3 0 -6.4516572288834 3737409 C1COCCN1CC2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=C3[N+](=O)[O-] 1 2.339 4 4 0 -6.65828497859156 3737337 CCC(=O)C1=CNC(=C1)C(=O)NCC2CCCO2 1 1.188 2 3 0 -12.7634033311277 3737309 C1=NC(=S)C2=C(N1)N(C=N2)CC(=O)O 1 -0.223 4 2 0 -9.71976735381527 3737300 CCOC(=O)C1=NNC2(C1)CC(=O)N(C2=O)C3=CC=CC(=C3)C 1 1.094 3 4 0 -7.20591789030622 3737265 CC1=CC=C(C=C1)C(=NN=C2N(C(=O)CS2)C3=CC=CC=C3)C 1 4.2 3 1 -7.41332398681233 3737208 CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CSC(=S)N4CCCCC4 1 5.215 4 1 -13.8752868680068 3737203 CN1C=C(C=C1C=NOC)C(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.019 2 2 3.12906226948573 3737197 CC1(CC2(CC(C3=CC(=C(C=C3O2)O)Cl)C4=CC=CS4)NC(=S)N1)C 1 4.846 2 2 -3.78515940599709 3737168 CCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)C)NC3=CC=CC=C3 1 5.987 2 2 -8.19935702482925 3737166 C1CN2C(=C(C(=O)N=C2SC1)C(C3=CC=C(C=C3)F)C4=C(N5CCCSC5=NC4=O)O)O 1 3.515 4 4 0 -14.1840369409828 3737165 C1COC2=C(C=C(C=C2)C3CC(=NNC(=S)N)C4=C(O3)C=CC(=C4)F)OC1 1 3.363 3 3 -3.29795546622799 3737087 CCNC(=O)C1=CC=CC=C1C2=NC(=NO2)C3=CC=CC=C3 1 2.702 3 2 -3.00256553292824 3737085 C1CS(=O)(=O)CC1N(CC2=CC=CS2)C(=O)COC3=CC=C(C=C3)Cl 1 2.574 1 4 -14.32524058326 3737083 CCN(CC)CCNC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)NCCO 1 2.122 3 4 0 -4.4607773697919 3737081 CC1=CC=C(C=C1)C2=CC=C(O2)C3C(=C(OC4=NNC(=C34)C)N)C#N 1 3.471 4 2 -3.34244815019811 3737039 COC(=O)C1=NN(C(=O)C=C1SC2=CC=CC=N2)C3=CC=CC(=C3)C(F)(F)F 1 3.711 3 3 -2.12980363558038 3737023 CN(CC1=CC=CC=C1)C2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N 1 2.843 6 2 0 -0.16663507272589 3737003 CCN1C(=O)C(N(C1=S)CCC2=CC=CC=C2F)CC(=O)NC3=CC=C(C=C3)OC 1 4.137 3 3 -12.5712340106786 3736987 CC1=NN(C(=O)N1C2=CC(=CC=C2)F)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.975 4 1 1.26516232118182 3736983 CC1=CC(=C(C=C1)NC(=O)C(CC(=O)O)C2CCCO2)C 1 2.038 1 4 -15.8495652902154 3736851 CC1=NN(C(=O)N1C2=CC(=CC=C2)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.434 4 1 2.93980576344697 3736777 CC1CCCN(C1)CC2=CN=C(S2)Cl 1 2.549 2 0 2.74462192490438 3736759 COC1=CC=C(C=C1)C(=O)NCCCCCCNC(=O)C2=CC=C(C=C2)OC 1 3.416 2 4 -9.27654701696944 3736655 CCC(C(=O)NNC(=O)C1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 2.102 4 6 0 -15.9345906840233 3736589 CN1C=C(C=C(C1=O)C#N)C2=CC(=CC=C2)Cl 1 1.864 2 1 0 -0.460446282432285 3736474 C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)O 1 4.725 2 2 -9.89667186637721 3736463 CNC(=O)C1=CN(C(=O)C=C1)CC2=CC(=CC=C2)C(F)(F)F 1 1.576 2 2 0 -3.45416698643405 3736434 CCC1CCC(CC1)N2CCN(CC2)C3=CC(=CC=C3)OC 1 4.499 2 1 4.01206309142225 3736426 CN1CCN(CC1)C(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.478 3 3 -13.2065283165892 3736396 CN(C)C1=NC(=NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C31 1 2.854 4 2 -1.02262684726862 3736370 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)Cl 1 5.05 1 2 2.44981597699894 3736277 COC1=CC=CC=C1N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C4=CC=CC5=CC=CC=C54 1 3.361 3 5 0 -6.17389872673522 3736268 CC(C)NC1=NC(=C(S1)C(=O)C23CC4CC(C2)CC(C4)C3)N 1 3.269 3 1 -5.26621986990879 3736262 C1=COC(=C1)CNC2=C(C3=NON=C3C=C2)[N+](=O)[O-] 1 1.868 4 4 0 0.86706498390416 3736219 COCCOC1=C(C=C(C(=C1)NC2=NN=C(S2)C(F)(F)F)Cl)Cl 1 3.747 3 2 -2.39732162486462 3736216 C1=CC(=CC=C1C#N)OC2=NC=C(C=C2)C=NO 1 2.484 3 2 1.56537677049839 3736188 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C(N)N=C(N)NC3=CC=C(C=C3)Br 1 1.607 7 1 0 -10.4478716142892 3736129 C1=CC=C(C=C1)C=NNC(=O)C(C2=NNC(=O)C3=CC=CC=C32)NC(=O)C4=CC=CC=C4 1 2.611 5 3 0 -19.8101399103918 3735979 CC(C)OC1=CC=C(C=C1)C(CCNCC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3OC 1 5.868 2 2 -7.1710864597328 3735836 COC1=CC(=C(C=C1)NC(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)N5CCOCC5)N)OC 1 3.939 4 4 0 -13.7371418909614 3735810 C1COCCN1C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=CC=C4 1 2.467 4 3 0 -4.85754886252959 3735808 CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)C3=CC=CS3 1 3.133 3 3 -2.90032747251167 3735802 COC1=CC=C(C=C1)C(CCN(CC2=CC(=C(C=C2)OC)OC)C(=O)CCl)C3=CC=CC=C3 1 5.291 1 4 -13.6316936365658 3735797 CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=NC=C(C=C1)Cl)OC2=CC=CC=C2 1 4.086 3 4 0 -3.43121192980648 3735790 CCCCN1C=NC2=C(C1=N)C(=C(N2CC3=CC=CO3)C4=CC=CC=C4)C5=CC=CC=C5 1 5.857 4 1 3.07791245483095 3735764 CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=C(S2)C(=O)C4=CC=C(C=C4)F)N)C 1 4.542 2 5 0 -21.7378667350338 3735730 CCOC(=O)CC1=CSC(=N1)NN=CC2=CC=CC=C2 1 2.476 3 2 -7.94987172079937 3735724 CC(C(=O)NC1=CC(=CC=C1)OC)OC2=CC=CC=C2 1 2.917 1 3 -8.4357861471093 3735630 CC1=C2C(C(=C(OC2=NN1)N)C#N)CC(C)C 1 2.122 4 1 -8.76758351978153 3735617 C1=CC2=C(C3=C(C=C2)C(=O)C=CN3)N=C1 1 1.399 2 1 0 -3.00365677914315 3735508 CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)CCC4=CC=CC=C4)O2 1 2.412 1 4 -3.06915926740508 3735465 CC(=O)NC1=C(N=C(S1)NN=CC2=CC=CO2)C3=CC=CS3 1 2.349 4 2 -4.96356880341183 3735460 CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2SCC3CSC4=NC5=CC=CC=C5C(=O)N34 1 5.545 3 2 -19.4234358233314 3735459 CC(C1=CC=NC2=NC(=NN12)N=CN(C)C)OC3=CC=CC=C3F 1 2.095 6 1 0 -3.66479906123844 3735442 CC1=CC(=NN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C 1 1.956 4 4 0 -18.58248348328 3735390 CC(C)C1=CC=C(C=C1)C=NNC2=CC=C(C=C2)C(=O)O 1 4.272 2 2 -1.04976355107734 3735373 C1=CC=NC(=C1)C(=NOC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N 1 2.223 4 4 0 3.16466662797198 3735347 CC1(CO1)C(=O)C2=NNCC2C3=CC=CC=C3 1 0.971 2 2 0 -6.37271246430729 3735316 C1=C(C2=C(C(=N1)[N+](=O)[O-])NC(=O)N2)Br 1 0.724 4 3 0 -5.56472074027218 3735298 CC(C1=CC=CC=C1)NC(=O)C(C)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br 1 2.689 2 3 -13.0043218871949 3735201 C1CCCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3 1 2.341 2 3 -17.8540544509838 3735172 C1CC(OC1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC=CO5)N 1 2.131 5 3 0 -18.1574284055999 3735150 CCOC(=O)C=C1C(=O)N(C(=C(C#N)C(=O)N)S1)C2=CC=CC=C2 1 1.489 3 4 0 -6.4266666692653 3735145 C1COCCN1C2=C(N=C(O2)C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5 1 5.313 2 3 -2.48543561886908 3735134 CC1=CC=C(O1)C=NNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 1.495 3 3 0 -8.55894092175931 3735093 C1CCN(C1)CC2=CSC(=S)N2C3=C(C=CC=C3F)F 1 4.273 2 0 -0.95823561341932 3735058 CC1=CC(=O)N(C(=N1)N)CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.24 4 3 0 -3.37283784613774 3735057 CON=CC1=CN(N=N1)C2=CC=C(C=C2)Cl 1 2.547 4 1 4.41584071602593 3735054 COC1=CC=C(C=C1)C2CC2C(=O)C3=CC=CC=N3 1 2.873 1 2 -3.86345670498301 3735034 C1=CC(=CC=C1C(=O)NC(CCC(=O)N)C(=O)O)Cl 1 0.742 2 4 0 -14.7248860252439 3735031 CCCC1C(=O)N(C(=NN=CC2=CC=C(C=C2)OC)S1)CC3=CC=CC=C3 1 5.188 3 2 -6.5443070633868 3734997 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)COC)C3=CC=C(S3)Cl 1 1.281 8 3 0 -24.6875272388618 3734996 CC1=CC=CC=C1C2C(C(C(C(N2)C3=CC=CC=C3C)[N+](=O)[O-])(C)C)[N+](=O)[O-] 1 4.991 3 4 0 -2.19681378700551 3734969 CC1=CC(=CC(=C1)OC2=NNN=N2)C 1 2.732 4 1 -2.05432426356671 3734911 CCCCNC(=O)N(C1C(SC(=S)N1N=CC2=CC=CS2)(C)C)O 1 4.532 4 2 -10.2664315458604 3734885 C1CN(CCN1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.697 2 2 0 -11.87101075986 3734669 COC1=C(C=C(C=C1)C=NNC2=CC=C(C=C2)[N+](=O)[O-])CN3C=C(C=N3)[N+](=O)[O-] 1 3.454 6 5 0 -9.64261501681721 3734666 CC(=NNC(=O)CNC(=O)C1=CC=CO1)C2=CC=C(C=C2)Cl 1 1.783 3 3 0 -11.6884701285322 3734646 C1=CC=C2C(=C1)NC3=C(C(C(=C(N23)N)C#N)C4=CC(=CC=C4)Br)C#N 1 3.865 5 0 -9.66483714052535 3734635 CCCCCC1CC(C(=O)O1)CCC(=NNC(=O)N)C 1 1.963 3 3 0 -9.33490415610059 3734582 C1CCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.076 3 4 0 -10.5860184994218 3734537 CC1=C2C(C(C(CC2=NO1)(C)O)C(=O)C)C3=CC=C(C=C3)F 1 1.962 1 3 0 -9.5851890799401 3734527 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C4N=C(C=C(N4N=C3)C5=CC=CC=C5)C6=CC=CC=C6 1 4.951 5 1 -4.812230488406 3734497 COC1=C(C=C(C=C1)C=NNC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)OC 1 4.755 4 2 -0.846947858126207 3734474 C1C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)NNC(=O)C3=CN=CC=C3 1 0.755 4 3 0 -5.79531392094526 3734343 C1=CC=C(C(=C1)CC2=C(N=C(N=C2N)C3=CC=CC=N3)N)F 1 2.714 5 0 0.615515795350237 3734340 CC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=CO3)N=C1C 1 2.039 3 2 -4.53091923548159 3734334 CCCCC1=CC2=C(S1)CCCCC2=NO 1 4.131 1 1 -4.26073813192978 3734302 COC(=O)C1=CC=CC=C1OC2=NC3=CC=CC=C3N=C2 1 3.248 2 3 -1.96692233970234 3734300 CN1C(=C(C(=N1)C2=CC=CC=C2)C(C3=CC=CC=C3)OC)Cl 1 4.302 2 1 -4.95969213699399 3734285 CN(C)CCCNC(=O)C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 4.231 3 1 0.202734241276039 3734282 C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2 1 3.393 2 1 3.49031194979442 3734267 COC(=O)CC1=C(N(C=CC1=O)C2CC2)O 1 0.664 1 4 0 -7.46621441394763 3734254 CC1=CC(=CC=C1)N(C(=O)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)(C4=CC=CS4)O 1 5.022 2 3 -15.9616071598229 3734235 CC(C)C(C)(C(=O)N)NC(=O)C1=CC=CN(C1=O)CC2=CC3=C(C=C2)OC(O3)(F)F 1 2.929 3 5 0 -9.20090946642439 3734233 CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C)N(C)C3=CC=CC=C3)[N+](=O)[O-] 1 2.44 6 3 0 -4.43581058580869 3734228 CC(CN1CCCCC1)C(=O)NN 1 0.309 3 1 0 -6.09429924198778 3734216 C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=NNC4=CC=C(C=C4)C(=O)O)F 1 5.367 3 2 -1.43169653198753 3734129 CC1CN(CCN1C(=S)NC)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F 1 3.206 4 4 0 -11.8136714821284 3734127 CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=C(C=C3N2)Br 1 3.801 4 1 -9.03042991680362 3734107 CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)N 1 4.885 3 2 -15.3698516905195 3734028 CC1CN(CC(O1)C)C2=C(C(=NC(=N2)N(C)C3=CC=CC=C3)N)[N+](=O)[O-] 1 2.522 6 3 0 -2.96555387725195 3733992 CC(CCC1=CC=C(C=C1)OC)N2CCC3=CC=CC=C3C2 1 4.7 1 1 -2.92652281075399 3733980 CC1=CC(=CC=C1)NC(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3 1 1.517 3 2 0 -5.31389133484208 3733935 CCCOC1=C(C=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4)OC 1 3.609 8 4 0 -29.8977538151888 3733887 CC(=O)CCN1C=NC(=N1)[N+](=O)[O-] 1 4.1e-002 4 3 0 -10.0789942410315 3733831 CCN(CC)CCNC1=NC=NC2=C1N(C3=CC=CC=C32)C 1 2.89 5 0 -1.56010264677955 3733813 C1C(=O)NC2=C(O1)C=CC(=C2)N3C(=O)C4=CC=CC=C4C3=O 1 1.229 2 4 0 -4.51153096674387 3733774 CC(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 3.559 1 5 -16.3450018383213 3733765 CC1=CC(=NC(=N1)NN=CC2=CC=CC=C2Cl)C 1 2.783 4 0 -1.68695202269017 3733755 CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F 1 1.836 3 4 0 -10.891114386423 3733715 CC1=NN=C2C1C(C(C(C2)(C)O)C(=O)C)C3=CC=C(C=C3)OC 1 1.128 2 3 0 -6.74181932883181 3733711 CC1=NC(=O)C2=C(N1)C3=C(O2)C=CC(=C3)Cl 1 2.088 2 2 2.48875411602076 3733560 C1CN(CCC12OCCO2)CCC(C(F)(F)F)O 1 0.943 1 3 0 -1.84053159486538 3733527 C1=CC=C2C(=C1)C3=C(C=C(C=C3)OCC(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)O)OC2=O 1 4.179 1 6 0 -12.9249561153902 3733485 CC1CCCCN1CC(=O)C2=CNC3=CC=CC=C32 1 3.164 2 1 -2.42338059985522 3733457 C1=CC=C(C(=C1)CNC(=S)NCC2=CC=CO2)Cl 1 3.671 2 1 -9.78557442632298 3733427 CCON=C1CSC2C3=CC=CC=C3C(=O)N2CC4=C1C=CS4 1 3.015 2 2 -10.8747771201959 3733422 CC1=NC(=CC=C1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)OC 1 3.57 2 4 -15.8327989013935 3733344 CC1=CC=CC=C1C2=NOC(=N2)C3=CC=CC=C3C(=O)NCC4CCCO4 1 3.198 3 3 -9.62851520124586 3733327 C1COCCN1CCCNC2=NC(=C(C(=N2)NC3=CC=C(C=C3)F)[N+](=O)[O-])N 1 1.141 7 3 0 0.482141673662033 3733281 C1C(C1C(=O)O)C(=O)NC2=NC3=C(S2)C=CC=C3Cl 1 2.182 2 3 -3.17285068692529 3733246 CCOC(=O)C1=C2C(=C(S1)C)C(=O)NC(N2)C3=CC=C(C=C3)Cl 1 3.416 2 3 -4.7485068748097 3733241 CC1=CC(=NC(=N1)NN=CC2=CC=C(C=C2)Cl)C 1 2.783 4 0 -1.62350614249808 3733236 C1C2CC3CC1CC(C2)(C3)NC(=O)NN=CC4=CC=CC=N4 1 2.435 4 1 -4.40729428901391 3733223 CCCCN1CNC(=S)N(C1)CCC2=CC(=C(C=C2)OCC)OCC 1 5.013 3 2 -10.7732449311267 3733201 C1=CC=C(C(=C1)NNC(=O)CCC(=O)O)[N+](=O)[O-] 1 0.712 3 5 0 -10.8874994940316 3733180 C1=CC=C(C(=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3F)F 1 3.424 3 1 -9.92860056613245 3733148 C1=CC=C2C(=C1)N=CN2CC3=NNC(=S)N3C4=CC=CC=C4Cl 1 3.916 5 0 -6.99952096546383 3733133 CC1=CC=C(S1)C=NNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 2.053 3 2 -6.46130792949086 3733099 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4 1 1.777 4 3 0 -1.08400321066896 3733095 CN(C)S(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.485 4 4 0 -15.6514471761148 3733079 C1CCN(CC1)CC(CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42)O 1 3.705 2 2 -0.326123246834193 3733052 CC(CCC1=CC=CC=C1)NC(=O)C2=C(C=CC=C2OC)OC 1 3.743 1 3 -8.51196814070597 3733033 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O 1 0.678 0 9 0 -13.097118106147 3732954 CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)Cl 1 4.183 5 1 11.4747701678667 3732928 CCOC(=O)C1C(CN(C1=O)O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 2.734 1 5 -1.72013935939243 3732922 CCOC(=O)C1=CC=CC=C1CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.353 1 5 -4.11197629661024 3732892 C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=NNC4=NC=C(C=C4)[N+](=O)[O-])C#N 1 4.056 6 2 0 -2.26824506837765 3732869 CCOC(=O)C1=CC=C(O1)CSC(=N)N 1 1.684 2 3 0 -5.60112287677794 3732815 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)NC4=CC(=CC=C4)Cl 1 3.641 3 1 2.74425465837057 3732723 CC(=NNC(=O)C1=CC=C(C=C1)CN2CCOCC2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.319 4 4 0 -9.7878547073485 3732708 CCC(=O)C1=CNC(=C1)C(=O)NCCCN2CCOCC2 1 0.718 3 3 0 -10.6852927517536 3732703 CCCCOC(=O)C1=CC=CC=C1N2C(=O)C3C4CCC(C4)C3C2=O 1 3.315 1 4 -8.28689158736849 3732697 CC(C(=O)N1CCN=C1C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O 1 2.139 3 3 -10.1276552471585 3732684 CN1C2CCC1C3C(C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=CC=C(C=C4)Br 1 2.226 5 0 5.43377741341689 3732683 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)OC)C(=O)C 1 0.681 2 4 0 -24.9950602813873 3732681 C1=CC=C(C(=C1)OC2=C(C=C(C=C2)C(=NO)N)[N+](=O)[O-])Cl 1 3.018 3 4 0 -0.26858036329918 3732658 CC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC=CC=N3)O)C(=O)C4=CC=C(O4)C 1 2.731 3 4 0 -12.9695995450165 3732620 CC(=NNC(=O)CC1=CC=CS1)CC(=O)NC2=NC=C(C=C2)Cl 1 1.996 4 2 0 -6.85678445951692 3732532 C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C(=O)NCC5=CC=CC=C5 1 3.723 3 2 -2.01281292689344 3732509 CC1=CC2=C(C=C1)NC(=O)C23OCCO3 1 1.005 1 3 0 -7.96985900238327 3732471 CN(C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O)C(=O)C2=CC(=C(C=C2)Cl)Cl 1 4.357 1 4 -4.70896999082442 3732440 COC1=CC=C(C=C1)C2C=C(NC(=S)N2)C34CC5CC(C3)CC(C5)C4 1 4.647 2 1 -1.8430129244911 3732422 COC1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCC3=CN=CC=C3 1 2.243 3 3 -8.09531256168411 3732364 CC1(CC2=C3C4=C(C(=NC=N4)NCCN(C)C)SC3=NC(=C2CS1)N5CCOCC5)C 1 3.198 6 1 0 -9.21707558572355 3732318 CCCC1C2C(C(=O)N(C2=O)C3=CC=CC(=C3)C)ON1C4=CC=CC=C4 1 4.124 2 3 -3.95548166964413 3732306 C1COCCN1CCCNC2=NC(=C(C(=N2)NC3=CC(=CC=C3)F)[N+](=O)[O-])N 1 1.141 7 3 0 1.95401156535982 3732217 C1CC(=S)N(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 5.032 2 0 2.63145806457089 3732211 CCN(CCO)CC#CCC(C1CCCC1)(C2=CC=CC=C2)O 1 3.702 1 2 -0.414301197487307 3732195 CC[N+](C)(CC)CCC(C1CCCCC1)C2=CC=CC=C2 1 3.98 1 0 -4.84965239903691 3732129 C1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)CCl 1 0.984 4 4 0 -7.29135845640316 3732121 CCOC(=O)C1=C(NC(=O)N(C1C2=CC=C(C=C2)Cl)C(=O)C)C 1 2.068 2 4 -18.8750893299821 3732115 CN1C2=CC=CC=C2C(=C1Cl)C=NOC(=O)C3=CC=CC=C3Cl 1 4.766 2 2 1.28938704021485 3732106 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=NN2)N 1 1.77 4 2 0 2.52912054797386 3732105 COC(=O)CN1C(C(=O)N(C1=S)C2=CC=C(C=C2)Cl)CC(=O)NC3=CC=C(C=C3)F 1 3.848 3 4 0 -14.7039405791367 3732039 CC1=CC=C(C=C1)C2C(C(CC3=NOC(=C23)C)(C)O)C(=O)C 1 2.243 1 3 -10.4853626997392 3732014 C1=CC=C(C(=C1)S(=O)(=O)NCC2=CC=CS2)Cl 1 2.728 1 2 -7.89101159292081 3731938 CC1=CC=C(C=C1)S(=O)(=O)NCCCNS(=O)(=O)C2=CC=C(C=C2)C 1 2.335 2 4 -5.97869761352378 3731874 CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=CC=N3 1 4.018 4 0 -5.42017603515867 3731870 C1=CC=C(C=C1)CCCNC(=O)CN2C=NC=N2 1 1.216 4 1 0 -19.7217874611455 3731847 CCN(CC)C1=NN=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)N5CCOCC5 1 2.563 6 2 0 -16.3615803465422 3731844 CC(=NNC(=O)CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CC2=CC=CC=C2 1 1.699 3 5 0 -17.7836051946492 3731841 CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCC4CCCO4 1 3.715 3 2 -7.67056442804208 3731790 C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C3=NC4=CC=CC=C4S3 1 4.732 2 2 -2.09247725432633 3731774 CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCC(C3=CC=CC=C3)O 1 1.857 3 4 0 -6.79398966006186 3731716 C1=CC(=C(C(=C1)Cl)CON=CCC(=O)OC2=C(C=C(C=C2)Cl)Cl)Cl 1 5.777 1 3 -4.70020505150549 3731690 CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.281 3 4 0 -9.39662287068533 3731688 CCCCCCC=NNC1=NC(=O)C(=NN1)CC2=CC(=C(C=C2)OC)OC 1 3.377 5 3 0 -20.0383816351751 3731633 C1CCC(=NOCC2=CC=C(C=C2)F)C(C1)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.493 3 5 0 -1.2894308050788 3731631 CCCCCC1CCC(CC1)C(=O)NCCN2CCOCC2 1 3.403 2 2 -14.9122144231775 3731609 CCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])[N+]3=CC=CC=C3 1 3.517 2 2 -3.1165941259211 3731560 COC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N4CCC5=CC(=C(C=C5C4C3)OC)OC 1 3.187 3 4 0 -7.12559967344365 3731558 CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)CC(CN2CCCC2=O)O 1 1.906 1 4 0 -11.4989435142828 3731510 CC1=CC(=NC(=N1)SCC2=C(N3C=CC=NC3=N2)Br)C 1 2.816 5 0 -5.30119527378632 3731496 C1C(C(=O)N(C1=O)C2=CC=CC=C2)NNC3=CC=CC=C3 1 2.007 3 2 -4.2228535984717 3731453 C1COCCN1C(=O)CSCC2=CC(=CC=C2)Br 1 2.08 1 2 -12.187247724519 3731329 CC(C)NC(=O)N(C1C(N(C(=O)N1C(C)C)CC2=CC3=C(C=C2)OCO3)(C)C)O 1 2.387 4 5 0 -11.6007040153755 3731325 C1CCCC(=NN=C2N(C(=O)C(S2)CC(=O)O)C3=CC=CC=C3)CC1 1 3.779 3 3 -13.3240385610681 3731291 C1COCCN1C(C2=CC=CC=C2)C(C(=O)C3=CC=CC=C3)O 1 2.471 1 3 -5.85494705891377 3731289 CC1=CC=C(C=C1)C(C(C(=O)C2=CC=C(C=C2)C)O)N3CCCCC3 1 4.673 1 2 -3.07551036119219 3731145 C1=CC=C(C=C1)NN2C=NC3=NN=CC3=C2N 1 0.814 6 0 0 -1.70340899779868 3731111 CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CC=C3C(F)(F)F 1 3.217 8 2 0 -22.966697754939 3731104 COC1=CC(=C(C=C1)OC)NC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N 1 2.598 6 4 0 -3.89576730738979 3731075 CSC1=NN=C(N1CC=C)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.536 4 2 -11.8971241231505 3731053 CC(=O)NC1=CC=CC(=C1)CNCC2=CC(=CC=C2)NC(=O)C 1 1.191 3 2 0 -3.11390792993921 3731032 C1=CN(C=C1)C2=C(SC=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Br 1 3.152 3 3 -10.5077001505989 3731027 CC1=CC(=NC(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3Cl)Cl)Cl)C 1 6.515 1 4 -7.08038198132119 3731026 COC1=CC=C(C=C1)S(=O)(=O)N2C(COC3=CC=CC=C32)CC(=O)OC 1 2.293 1 6 0 -13.0028572460106 3730959 COC(=O)C1=C(ON=C1C2=CC=CC=C2Cl)C3=CN=C(N=C3C(F)(F)F)N 1 3.927 4 3 0 -2.15725094109973 3730888 C1C(C2=C(COC2=O)NC1=O)C3=CC=CC=C3F 1 0.987 1 3 0 -9.65995865766882 3730883 CC(=O)C(=NNC1=CC=C(C=C1)Br)SC2=CC=CC3=C2N=CC=C3 1 4.826 3 1 0.782772501078438 3730844 C1=CC=C(C=C1)CON2C3=C(N=CC=C3)N=C2C4=C(C=C(C=C4)Cl)Cl 1 3.141 3 1 3.5020385662026 3730790 CC1=C(N=C(S1)C2=CC=CC=N2)OC(=O)C3=C(C=C(C=C3)F)F 1 4.016 2 2 2.71336419918376 3730783 C1=CC=C(C=C1)C2=CC(=O)N(C(=C2)C3=CC=CC=C3)CCO 1 2.569 1 2 1.05667842258485 3730764 CCS(=O)(=O)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O 1 1.801 1 8 0 -18.7092685137428 3730758 CN1C2=CC=CC=CC2=[N+](C13C(=CC(=[N+]([O-])[O-])C=C3[N+](=O)[O-])[N+](=O)[O-])C 1 1.737 5 6 0 -4.79055582893067 3730750 CC1C(OC2C(O1)N(CCN2S(=O)(=O)C)S(=O)(=O)C)C 1 -0.911 2 6 0 -9.66785482637324 3730733 CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C(F)(F)F 1 2.29 1 3 -8.33803285249105 3730718 CCC1=C(NC(=NC1=O)SCC(=O)NNC(=O)CC2=CC=C(C=C2)OC)C 1 1.782 4 4 0 -18.6756012830129 3730701 CN1C=C(C(=C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC=CC=C3 1 4.071 1 3 1.89631024553531 3730696 CCOC1=C(C=CC(=C1)C=NNC(=O)OC(C)(C)C)OC(=O)C2=CC=CO2 1 3.753 2 6 0 -14.2280722198123 3730658 C1=CC=C2C(=C1)C=CC=C2CN3C4=CC=CC=C4N=C3S(=O)(=O)O 1 3.917 2 3 -6.82909270332681 3730566 CCCC1C(=O)N(C(=NN=CC2=CC=C(C=C2)OC)S1)CC3=CC=C(C=C3)OC 1 5.171 3 3 -6.55581110082476 3730541 CC(C)C1CC2=C(CO1)SC3=NC(=NC(=C23)N)SC 1 3.144 3 1 -4.49952511451614 3730376 CC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC 1 2.742 3 5 0 -21.0581492142116 3730347 CC1=CC=C(C=C1)NC(=O)C(C2CCCC2)C3=CC=CC=C3 1 4.847 1 1 -6.27043621285752 3730344 CC(=C)C(=O)OCCCCCCOC1=CC=C(C=C1)C(=O)O 1 3.981 0 5 -5.12481514397065 3730313 CCOC(=O)CSC1=NNC(=N1)NC(=O)C2=CC=C(C=C2)F 1 2.24 4 3 0 -12.3655917853144 3730311 C1=CC(=CC=C1C(=O)O)OC2=NC=C(C=C2)C(F)(F)F 1 3.35 1 3 1.79272565197339 3730284 COC1=C(C=C(C=C1)C2C=C(C(=O)N2C3=CC=CC=C3)NC4=CC=CC=C4)OC 1 4.192 2 3 -7.48173752238385 3730240 CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC4CCCO4)C#N 1 4.32 4 1 -13.2910313775796 3730213 CC(CCC1=CC=CO1)N(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C 1 2.399 1 4 -8.38076310059724 3730186 CC1=C2CCCCC2=C(C(=N1)Cl)C#N 1 3.227 2 0 -4.05608142655045 3730168 CC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=CC=C3Cl 1 5.075 2 2 1.59176008154543 3730162 C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)O)CC4=CC(=CC=C4)F 1 3.648 1 5 -4.48112192627937 3730159 C1CC1N2C(C(CCC2=O)C(=O)O)C3=CC=CC=C3 1 1.712 1 3 0 -5.91380043219599 3730081 CC(C)OC1=CC=C(C=C1)CNCCC(C2=CC=C(C=C2)OC)C3=CC=CC=C3OC 1 5.689 1 3 -4.97031296118946 3730038 CC1=CC=C(C=C1)C(=O)NC2=C(N=CC=C2)N3CCN(CC3)C 1 2.608 4 1 -2.32847539661118 3730021 CC1=[N+](N(C(=O)C1N=CC2=CC=CC=C2Cl)C3=CC=CC=C3)C 1 3.445 3 1 3.46746226913062 3729982 CC1=C(SN=N1)SC2=CC=CC(=C2)C(F)(F)F 1 3.842 2 0 0.593405295951736 3729981 CC1=CC(=NN1CC2=CN=C(C=C2)Cl)C 1 2.214 3 0 -6.73927294208405 3729861 CC1=NNC(=O)C1CCC(=O)NN=CC2=C(C=C(C=C2)Cl)Cl 1 1.99 4 2 0 -15.3650198532409 3729854 C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=NC5=CC=CC=C5C=C4 1 4.079 4 2 -4.00947137417518 3729816 C1=CC(=CC(=C1)NC(=S)NNC(=O)C2=C(C=C(C=C2)Cl)Cl)C(F)(F)F 1 5.545 3 1 0.954804693377123 3729763 C1=CC=C(C(=C1)N)NC2=CC=CC(=C2)C(F)(F)F 1 3.575 2 0 5.64121977406072 3729761 C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(F)(F)F)N 1 3.575 2 0 5.32508766327605 3729756 COC1=CC=C(C=C1)S(=O)(=O)N(CCCN2CCOCC2)CC3=CC=CC4=CC=CC=C43 1 3.311 2 4 -3.92027366306103 3729703 CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN3CCOCC3)C 1 1.908 7 3 0 -8.49089149107392e-002 3729631 COC1=C(C=C(C=C1)C=NNC2=CC=C(C=C2)C(=O)O)OC 1 3.045 2 4 -5.62537300645241 3729629 CCN(CC)CC(=O)NC1=CC=C(C=C1)C(=NNC2=NCCN2)C 1 0.898 6 1 0 -13.5055165669283 3729613 CCCON=C1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3 1 3.431 2 2 0.11013119019866 3729555 COCCCNC(=O)C1=CC=C2C3=C(C4=CC=CC=C4C2=O)ON=C13 1 2.144 2 4 -3.76456521809928 3729505 CC(C)CC1=CC=C(C=C1)C(=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCOCC4)C 1 2.477 9 3 0 -25.4477838207996 3729499 CCOC(=O)CN(C1=CC=CC=N1)S(=O)(=O)C2=CC=CC=C2 1 1.967 2 4 0 -14.334991083512 3729486 CC1=C(C=C(C=C1)Cl)NC(=O)CC2C(=O)N=C(S2)NN=C(C)C 1 2.428 4 2 -11.0350720521066 3729446 COC1=CC=C(C=C1)N2C(SCC2=O)C3=CC=CS3 1 3.181 1 2 -13.1824130876778 3729441 C=CCC1C(=O)N=C(S1)NN=CC2=CC=CS2 1 2.977 3 1 -11.619139437439 3729424 CC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3F 1 4.091 2 2 -10.2520549227725 3729316 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NN=C(C)C2=CC=CS2 1 2.285 3 3 -13.5136413187638 3729223 C1COCCN1C2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl 1 4.361 4 1 -0.731298756752259 3729222 C1COCCN1C2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=CC=C4 1 3.033 4 1 -3.06979718845476 3729143 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C3=CC=CS3 1 2.806 2 3 -13.9593529302732 3729141 CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=NNC4=NC=C(C=C4)[N+](=O)[O-] 1 4.663 5 2 0 -1.16700325440422 3729095 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)O)C 1 1.472 3 4 0 -15.5553637979415 3729046 C1COCCN1CCCNC(=O)C2=CC(=CN2)C(=O)C3=CC=CC=C3 1 1.716 3 3 0 -8.41502021300315 3729021 CN(CCO)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)CCO)C(=O)C3=CC=CC=C3 1 4.009 2 3 -2.65819736095152 3728994 C1=CC=C2C(=C1)C(C(=O)N2)(C#N)NC3=CC(=CC=C3)Br 1 2.819 3 1 -5.42098483472414 3728944 CCC1=CC(=CC=C1)OC2C(C(C(C(O2)CO)O)O)NC(=O)C 1 0.332 1 6 0 -18.1280575349543 3728934 C1C2C=CC1C(C2C(=O)NCC3=CC=CC=C3)C(=O)O 1 1.499 1 3 0 -8.23273071786192 3728810 CCOC(=O)CCNC(=O)CCNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 2.179 2 4 -24.9723353644686 3728741 CC1=CC(=CC=C1)NC(=O)CN2C(=O)C3=C(N=N2)SC4=C3CC(OC4)(C)C 1 3.28 4 3 0 -26.2961973966269 3728705 CC1=CC=CC(=C1)C2C(C(C(C(N2)C3=CC(=CC=C3)C)[N+](=O)[O-])(C)C)[N+](=O)[O-] 1 4.991 3 4 0 0.885894659304237 3728663 CC(C)(C1=CC(=CC=C1)C(C)(C)NC(=O)NC(CO)C2=CC=CC=C2)NC(=O)NC(CO)C3=CC=CC=C3 1 3.386 4 4 0 -6.960423809212 3728636 CCN(CC)CC(C1=CC=CN1C2=CC=C(C=C2)CNC(=O)NC(C)C)O 1 3 4 2 -13.4907208041356 3728633 C1=CC(=CC=C1COC2=C(SC=C2)C(=O)NN=CC3=CC=C(C=C3)F)F 1 4.614 2 2 -6.19574779992529 3728490 CC(CC1=CC=CC=C1)NC(=S)CN2CCCC2=S 1 3.694 2 0 -8.12894639900634 3728472 C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)[N+](=O)[O-] 1 2.544 1 7 0 -3.39583496828562 3728446 CCCCCC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CS3 1 2.129 3 3 -23.0296584256978 3728440 CCCCNC(=O)N(C1C(SC(=S)N1N=CC2=CC=CC=C2F)(C)C)O 1 4.784 4 2 -7.36610178291565 3728438 CC1C(C(=O)NC1=O)C2=CC=CC=C2 1 1.164 1 2 0 -7.28471181671129 3728427 CC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.908 4 4 0 -14.9420151129771 3728401 CC(C)C(CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C)C2=CC=CO2 1 3.635 1 4 -11.5739046012437 3728297 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4C=CN=C4 1 3.307 4 2 -7.3933497731893 3728208 COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NC(=O)CNCC=C 1 2.024 3 4 0 -19.467862520528 3728131 C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO 1 0.658 6 4 0 -5.09427101464695 3728086 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3CCCCC3)C4=CC=C(C=C4)OC 1 3.642 3 3 -6.82479470216177 3728085 CC(C)C(=O)NC1=NC(=O)C2=C(N1)CCCC2 1 1.73 3 2 0 -17.8837511175442 3728084 CC(CS(=O)(=O)CC1=CC=CC=C1)(C2=CC=C(C=C2)Cl)O 1 3.305 0 3 -2.19281165907901 3728082 CC1=CC=C(C=C1)CON=CC2=C(C3=CC=CC=C3CC2)Cl 1 5.055 1 1 5.07309569872907 3727986 CCCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C(=O)C5=CC=CC=C5C4=O)NC3C(C)C 1 3.304 2 5 0 0.816835220763829 3727969 CCC1=C(SC(=C1C#N)NC(C(=O)OCC)(C(F)(F)F)NC(=O)CC)C 1 3.706 3 3 -16.7449274357063 3727897 C1CC1NCC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.244 4 3 0 -3.67340684302304 3727893 CCC(=O)NCC1=C(C=CC=C1Cl)N2C=CC=C2 1 3.164 2 1 -10.2350069610495 3727890 CC1=CC2=C(C=C1)NC(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-] 1 2.725 2 4 -7.289185058192 3727885 CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C(=O)C(=O)NCCOC 1 1.854 3 5 0 -15.0081558049626 3727884 CC1=CC(=CC=C1)N2C(=O)C3CC3C2=O 1 1.573 1 2 0 0.383502930548184 3727879 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCCCC4)NC(=O)C5=CC=CC=C5 1 4.568 4 2 -8.43884204443056 3727856 CC1=C(C=C(N1CC2=CC=C(C=C2)F)C(=O)OC)C(=O)OC 1 3.066 1 4 -5.58687646439007 3727855 COC1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCC3CCCO3 1 2.169 2 4 -10.1104494340121 3727847 CC1=NN(C2=C1CC(C2)C(=C)C)C3=CC=CC=N3 1 3.418 3 0 0.388282851953041 3727838 CC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC 1 2.742 3 5 0 -19.2968479905405 3727816 CC1=CC=CC=C1NC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.841 4 4 0 -2.80878754789258 3727805 CCOC(=O)CN1C2=CC=CC=C2N=CC1=O 1 1.017 2 3 0 -6.59549132567234 3727779 C1=CSC(=C1)C(=O)CC(=NNC(=O)C2=CC=C(C=C2)O)C(F)(F)F 1 3.374 2 3 -5.92551851064969 3727742 CC1(CC2=C3C(=C(SC3=NC(=C2CN1C)N4CCOCC4)C(=O)C5=CC=C(C=C5)Br)N)C 1 4.557 4 2 -6.70593854862858 3727641 CC1=C(SC(=S)N1C2=CC=CC=C2)C(=O)C 1 3.571 1 1 -5.08930377663334 3727630 C1CC2CC1CC2N3C(SCC3=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.158 2 3 -7.69906509030004 3727625 CC1=CC=C(C=C1)C2CC3=NC(=NC=C3C(=O)C2)NC4=CC=C(C=C4)OC 1 3.767 3 2 -10.1754716191172 3727569 C1=CC=C(C(=C1)C(F)(F)F)N2C=NNC2=O 1 1.855 3 1 0 -3.98889333260976 3727565 CC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=C(C=C3)F)C(F)(F)F 1 5.691 3 0 -8.92436990694099 3727528 C1=CC(=CC=C1C2=NNC(=O)O2)OCC3=C(C=C(C=C3)Cl)Cl 1 4.417 2 3 -1.59247004580964 3727516 C1=CC=C(C=C1)CSC(=NC2=CC(=CC=C2)F)NC#N 1 4.133 3 0 -0.534875568453694 3727465 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=CC=C2F)OC3=NC=C(C=C3)[N+](=O)[O-] 1 3.715 4 5 0 -12.0470488583007 3727447 C1CN(C2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)NC5=CC(=CC=C5)Cl 1 4.213 3 2 -4.00435333167148 3727431 C1=CC=C(C=C1)CC(=O)NCC(=O)NN=C(CCC(=O)O)C2=CC=CC=C2 1 1.603 3 4 0 -17.9125448268635 3727406 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CC3=C(O2)C=CC4=CC=CC=C34 1 3.014 2 4 -5.42288554278591 3727405 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)NC(=O)C=C 1 2.871 3 1 -2.5515434628807 3727375 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CC=CCC2C(=O)O 1 1.263 2 5 0 -9.17435099216953 3727325 CC1=C2C(C(C(CC2=NO1)(C)O)C(=O)C)C3=CC=CC=C3 1 1.757 1 3 0 -10.7494197896656 3727324 CC1(CC(=O)C(C(C1C(=O)OC(C)(C)C)C2=CC=CO2)C(=O)OC(C)(C)C)O 1 2.125 0 7 0 -14.5190563556417 3727310 C1=CC=C(C=C1)OCCNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 3.9 2 4 -9.4775868304162 3727288 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O)C 1 4.021 1 6 0 -12.4566400489609 3727246 C1CC(N(C1=O)CC2=CC=CC=C2)(C#N)C3=CC=CC=C3 1 2.831 2 1 -4.00911028837223 3727198 C1C(SC2=NC(=C(N2C1=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F 1 6.299 2 1 2.63768235554005 3727169 COC1=CC=CC=C1N(CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)S(=O)(=O)C5=CC=CC=C5 1 5.344 2 4 -5.93756511677586 3727153 C1=CC=C(C(=C1)C2=CC=C(O2)C3C(C(NC(=O)N3)(C(F)(F)F)O)C(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-] 1 4.519 3 6 0 5.15611523967436 3727149 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCC(=O)NCC4=CN=CC=C4 1 2.745 3 3 -14.9508773041169 3727148 CC1=CC(=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC4CCCO4)C 1 3.527 4 3 0 -7.25573256864682 3727121 CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCOCCO)C#N 1 3.086 4 2 -11.2982427967716 3727069 CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCOCC3 1 1.767 6 3 0 -7.33346939972224e-002 3726904 CC1(CC2=C(C(C(=C(O2)N=CN3CCOCC3)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C 1 2.374 3 5 0 -23.4953274829847 3726884 COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CC3)[N+](=O)[O-] 1 1.716 3 5 0 -11.4910810175377 3726881 CC1=CC2=NC(=C(N2C=C1)C=NOC)C3=CC=C(C=C3)Cl 1 3.962 3 1 3.2655241482974 3726868 C1=CC=C(C(=C1)C2=NC(=NN2)N)[N+](=O)[O-] 1 1.183 5 2 0 -0.166331459592281 3726862 C1=CC(=CC=C1C2C=C(C(=O)N2C3=CC=C(C=C3)S(=O)(=O)N)NC4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-] 1 1.53 5 7 0 -11.2646515475959 3726767 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=C(C)C3=CC=NC=C3 1 1.111 9 2 0 -25.2612195519821 3726733 C1CN(CCN1CC2=CC=C(C=C2)OCCCF)C3=CC=CC=C3F 1 4.185 2 1 5.88598201938355 3726683 CCN1C=C(C(=O)C2=CC(=C(C=C21)NN=CC3=CC=CC=C3)F)C(=O)O 1 3.329 3 3 0.873627981323229 3726665 CC1=CC=C(C=C1)CS(=O)(=O)CC(C)(C2=CC=C(C=C2)Cl)O 1 3.791 0 3 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CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-] 1 4.927 4 2 8.06829084229367 3726154 CC1=CC=C(C=C1)N2C(=O)N(C(CC2(C)O)(C)C)C(C)C 1 2.826 2 2 -3.62498616415454 3726149 CC(=NNC(=O)CC#N)C1=CC2=CC=CC=C2OC1=O 1 1.079 3 3 0 -17.9403134828049 3726019 CCCCC1=NC2=C(O1)C=CC(=C2)Cl 1 3.86 1 1 2.67147822606468 3726018 CCCC(=O)C1=CNC(=C1)C(=O)NCC2=CC=C(C=C2)F 1 3.075 2 2 -7.90475163988475 3726014 CN1C=C(C=C1C(=O)NN=C(COC2=C(C=C(C=C2)Cl)Cl)N)C(=O)C3=C(C=C(C=C3)Cl)Cl 1 5.414 4 3 0 -1.93860317896292 3725923 COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CC3=C(O2)C=CC4=CC=CC=C34 1 2.512 2 5 0 -5.83585175193005 3725917 CC1=CC=CC=C1C(=O)OCC2=CN=C(S2)Cl 1 3.164 1 2 -4.2485928759126 3725764 CC(=NOCC(=O)N1CC2(CC1CC(C2)(C)C)C)C3=CC=C(C=C3)OC 1 2.967 2 3 -13.6576632112333 3725756 C1=CC=C(C=C1)CN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)N5C=CC=CC5=N3 1 3.224 4 3 0 -19.6304993388642 3725731 CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CS4 1 3.021 2 5 0 -21.445057882851 3725674 CC1=CC(=CC=C1)N2C(=C(C=N2)C#N)N3C=CC=C3 1 3.422 4 0 2.60085137412523 3725669 C1CCN(C1)CC(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.131 3 1 -6.34718682482578 3725667 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C3=NN=C(N3CC=C)SCC4=CC=C(C=C4)C(=O)O 1 5.406 6 2 0 -15.0671248133705 3725664 C1=CC=NC(=C1)C2C(=C(C(=O)N2CCOCCO)O)C(=O)C3=CC=CS3 1 0.84 2 5 0 -16.6438771491051 3725576 CCCCC1=NNC(=S)N1CC2=CC=C(C=C2)C 1 4.086 3 0 -3.48828464559718 3725575 CN1CC(=O)NC2=CC=CC=C2C1=O 1 5.e-002 2 2 0 -9.10090421135496 3725533 CC1=CC=C(C=C1)CN2C=CN=C2C(=O)NC3=CC=CC=C3 1 3.184 3 1 -5.68762725698276 3725529 CCCCC1=NNC(=S)N1CC2=CC=C(C=C2)Cl 1 4.264 3 0 -1.66628595501036 3725527 CCOC(=O)C1CN(C1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 0.948 1 6 0 -14.8226397205007 3725526 CCOC(=O)C1CN(C1)S(=O)(=O)C2=CC=C(C=C2)C 1 1.467 1 4 0 -15.796757389516 3725374 CCCC1C(C2(C3CCCCC3(O1)OC2=N)C#N)(C#N)C#N 1 1.862 4 2 0 -2.35266012468899 3725365 CC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)Cl 1 3.078 5 3 0 -1.05373550836588 3725345 C1=CC(=CC=C1C2=CC=NC3=NC=NN23)OCCCF 1 2.634 4 1 -5.37878490549047 3725343 CC1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)F 1 2.316 2 2 -12.6389550085672 3725341 CC1=CC=C(C=C1)C2C(C(=O)C(=C(O)OC)C(C2(C#N)C#N)C3=CC=C(C=C3)C)C(=O)OC 1 4.22 2 5 0 -5.10387489916551 3725337 CCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC=CO3 1 3.189 3 2 -6.99536689868746 3725334 CC1=C(C(=NC(=N1)N2CCOCC2)OCCNC)[N+](=O)[O-] 1 0.104 5 4 0 -2.32699890282198 3725320 COC1=C(C(=C(C=C1)C=NNC2=CC=CC=C2[N+](=O)[O-])C(=O)O)OC 1 2.94 3 6 0 -5.90216191662661 3725283 CC(=O)NC(C(Cl)(Cl)Cl)N(C#N)C1=NC(=NC(=N1)Cl)N(C)C 1 1.849 7 1 0 -9.18558092689182 3725244 CC1CN(CC(O1)C)C(=O)C2=CC=CN(C2=O)CC3=C(C=CC=C3Cl)Cl 1 2.611 2 3 -15.4534944042854 3725217 CC(C)C1CC2=C(CO1)SC3=NC=NC(=C23)NN 1 2.104 4 1 -1.40143014297968 3725196 COC1=CC(=CC(=C1OC)OC)C(=O)N(CC2=CC=C(C=C2)F)C3CCS(=O)(=O)C3 1 2.491 1 6 0 -14.0054910689918 3725185 CN(C)C1=CC=C(C=C1)P(=O)(C(C2=CC=C(C=C2)Cl)O)OCC3=CC=CC=C3 1 4.879 1 3 -3.02525680275939 3725143 COC1=C(C(=C(C=C1)C=NNC2=NC3=CC=CC=C3N2)OC)OC 1 2.819 4 3 0 3.53671554437352 3725036 CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N)CCl)C 1 2.614 5 0 -0.583035246699779 3725022 C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)NN=CC5=CC=CS5 1 2.538 8 4 0 -26.4101178898514 3725008 CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)OCC4=C(C=CC=C4Cl)F 1 3.595 9 3 0 -25.4008088177197 3724982 CC(C)CNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2 1 2.861 6 2 0 -2.78763658504762 3724893 COC1=CC=C(C=C1)CNCC(C2=CC=CC=C2)(C3=CC=C(C=C3)F)O 1 4.069 1 2 1.37681741316049 3724892 C1=CC=C(C=C1)C(CNCC2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)F)O 1 4.75 1 1 3.61178231289145 3724891 CC1=CC=C(C=C1)CNCC(C2=CC=CC=C2)(C3=CC=C(C=C3)F)O 1 4.571 1 1 1.78978362230463 3724844 C1CCC2=CC3=CC=CC=C3N=C2CC1 1 3.992 1 0 -0.885070862511492 3724835 CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=C(O4)C 1 2.609 2 6 0 -18.0442953210398 3724798 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CN(C)C3=CC=CC=C3)C4=CN=CC=C4 1 1.66 10 2 0 -26.1218561205427 3724787 CC(=NNC1=NN2C=NN=C2C=C1)C3=CC=CS3 1 1.612 6 0 0 -7.23574224272151 3724784 CCOC(=O)C(C1=CC=CC=C1)(C(F)(F)F)NC(=O)NC2=CC=C(C=C2)C(=O)N 1 2.693 3 4 0 -8.81500639630889 3724710 C1CN(CCC1=NO)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.819 3 1 4.71489989839749 3724708 C1=CC(=CC(=C1)F)NC(=O)N(CC2=CC=C(C=C2)Cl)CC(C(F)(F)F)O 1 4.102 2 2 -1.43450090965893 3724596 C1=CC(=CC(=C1)Cl)C(=O)OCC2=CN=C(S2)Cl 1 3.343 1 2 -1.42032506108199 3724595 C1=CC=C(C=C1)C(CCl)NC(=O)C2=CC=C(C=C2)Cl 1 3.979 1 1 -5.98443903018108 3724580 C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)COC5=CC=C(C=C5)F 1 4.424 8 4 0 -23.752357785519 3724576 COC1=CC(=C(C=C1)C=NNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3)OC 1 2.83 3 5 0 -7.93028124758529 3724501 COC1=CC(=CC(=C1)CN2CCN(CC2)C3=NC=CC=N3)OC 1 1.622 4 2 0 2.73894103222372 3724486 CC(C)CCN(CCC(C)C)CC(CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31)O 1 5.949 2 2 -2.24782070225157 3724446 CCOC(=O)C1CCCC2=C1NC3=C2C=CC=C3C(=O)N 1 2.689 2 3 -7.24655041138207 3724414 COC1=CC=CC(=C1)C(=O)NN2C(C(=O)N(C2=S)C3=CC=CC=C3)CC(=O)N 1 1.904 4 4 0 -12.897440526043 3724390 C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=CC=C4 1 2.696 6 5 0 -11.2037036317397 3724298 CCN1C(=NN=C1SC)COC2=NN(C(=O)C=C2)C3=CC=CC=C3 1 2.46 5 2 0 -7.39296455563038 3724296 CCN1C(=NNC1=S)COC2=NN(C(=O)C=C2)C3=CC=CC=C3 1 2.153 5 2 0 -6.58585742143335 3724295 CC1=C(C2=CC=CC=C2N1)C(=O)NS(=O)(=O)NC3=CC=CC=C3 1 2.013 3 3 -0.62365176818799 3724279 CC1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC(=C(C=C3)O)OC 1 2.516 1 5 -17.2126622285933 3724260 CC1=C(C(=O)C2=CC=CC=C2N1)SC(C(C(F)(F)F)F)(F)F 1 4.393 1 1 -7.72588067518039 3724240 C1CN(C2(N1C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl)C(=O)C5=CC=C(C=C5)F 1 4.51 2 2 -2.87512232889982 3724239 CC1=CC=C(C=C1)C(=O)N2CCN3C2(C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl 1 4.791 2 2 -3.58699935436507 3724164 C1CCC(C1)C(CC#CCN(CCO)CCO)(C2=CC=CC=C2)O 1 2.814 1 3 4.29857188218358e-002 3724108 C1=CC(=CC(=C1)Cl)NS(=O)(=O)C2=C(C=CC(=C2)N)Cl 1 2.899 2 2 3.00529714303999 3724103 CCC1=NN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3 1 2.907 3 1 -10.6219003987079 3724094 C1CCC2=C(N=C(C(=C2C1)C#N)N3CCNCC3)C4=CC=CO4 1 2.916 4 1 -5.34346034512345 3724093 CC(C)C(C(=O)O)NC(=S)NC1=CC=CC=C1 1 3.321 2 2 -15.6410563732826 3724080 C1CSC(=S)NC12N3C(CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5O2 1 4.846 3 1 0.456067714368373 3724079 C1CC(CC=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=CC=C4 1 3.12 8 2 0 -23.466896864437 3724077 CC1C=CC2=C(N1C(=O)C3=CC=CC=C3)C=CC(=C2)C 1 3.905 1 1 -6.17901567641592 3724075 CC(C1=CC=CC=C1[N+](=O)[O-])(C(=O)OC)C(=O)OC 1 1.863 1 6 0 -4.16991105485773 3724061 CCCCN(CCCC)CC(CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31)O 1 5.445 2 2 -1.46533836828412 3724038 CCCCCC(CCC1=NNC(=S)N1CC=C)O 1 3.221 3 1 -12.3175832457369 3724031 C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=NC=N4)SCC5=CC=CC=C5)N6CCOCC6 1 6.156 4 1 -12.4694534327246 3723876 CCOC(=O)C(C(=O)NC1=CC=C(C=C1)C(C)(C)C)NC(=O)C 1 1.815 2 4 0 -10.4686582056521 3723865 CN1C=CSC1=NC(=O)C2=CC=CC=C2F 1 1.916 2 1 0 -9.9373417075755 3723864 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)C(=O)O)[N+](=O)[O-] 1 -0.21 3 6 0 -1.31954151381388 3723861 CSC1=NC2=CC=CC=C2C(=N1)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 3.841 4 2 5.58703283491195 3723838 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3OC 1 2.082 5 4 0 -18.891326275574 3723700 CC1(CC(CC(N1)(C)C)N=C2C=CC3=NC45CCCCC4CC6=C(N5C3=C2)CCCC6)C 1 4.704 4 0 -5.9288295335544 3723686 C1=COC(=C1)C=NNC2=C(C=C(C=N2)Cl)Cl 1 3.561 3 1 5.49676234250593 3723661 CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4)C 1 2.045 1 5 -9.21400368167064 3723654 CC(C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)N3CCOCC3 1 1.568 3 4 0 -11.9646824114226 3723651 CCCCCOCC1CC(C(=O)O1)(CC(=NNC(=O)N)C)C(=O)OCC 1 1.055 3 6 0 -10.5707576950724 3723592 CCOC(=O)C1CN(C1)S(=O)(=O)C2=CC=C(C=C2)F 1 1.186 1 4 0 -15.0848803640507 3723591 C1=CC=C(C=C1)NC(=O)C2=NC=CN2CC3=CC=C(C=C3)F 1 2.903 3 1 -4.97575023151751 3723590 CCOC(=O)C1CN(C1)S(=O)(=O)C2=CC=CC=C2 1 0.98 1 4 0 -16.6927670287521 3723588 C1=CC=C(C=C1)NC(=O)C2=NC=CN2CC3=CC=C(C=C3)C#N 1 2.576 4 1 -8.31336640665344 3723579 C1C2=CN=C(N=C2C3=CC=CC=C3O1)NC(=O)C4=CC=C(C=C4)F 1 3.246 3 2 -1.26338825482932 3723578 CC1=C(C=CC(=C1)Cl)NC(=O)NC2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.04 3 3 -18.1703575825457 3723572 COC1=CC=CC=C1CC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3 1 4.819 0 3 -4.10192955590054 3723564 COC1=CC=CC=C1C=NNC2=CC=CC=C2[N+](=O)[O-] 1 3.326 3 3 -1.94326480499431 3723553 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCC3)OC 1 2.452 2 5 0 -21.1967539868128 3723524 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O 1 4.786 2 3 -1.99156393556725 3723479 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC 1 4.046 2 7 0 -25.1754991951566 3723465 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CNC3=C(C=C(C=N3)Br)Br 1 5.081 3 2 -2.83929054967103 3723449 C1=CC(=CC=C1CC(C(=O)O)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl)O 1 4.799 1 5 -6.79731155439158 3723411 CC1=C(C(=O)C=CN1CC2=CC=C(C=C2)Cl)OCC3=CC=CC=C3 1 3.918 1 2 -0.212684006170919 3723398 COC1=CC=C(C=C1)CCN2C3=C(C=C(C2=N)C(=O)NC4CCCCC4)C(=O)N5C=CC=CC5=N3 1 3 5 3 0 -18.8288760310882 3723380 CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=COC=C4 1 2.253 8 4 0 -26.496988657098 3723356 COCCCNC(=O)C1=CC(=CN1)C(=O)C2=CC=CC=C2Br 1 2.507 2 3 -9.12311511726367 3723355 COCC1=CC(=NC(=N1)C2=CC=CC=C2)NCC=C 1 2.182 3 1 -1.03370224732208 3723312 CC1=CC(=NC2=NC(=NN12)SCCOC3=CC=CC=C3)C 1 3.5 4 1 -7.72094698063817 3723311 C1C(ON=C1C2=CC=CS2)C(=O)NNC(=O)NC3=CC=CC=C3 1 1.5 4 3 0 -8.01570327046073 3723302 CC1=CC(=CC=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC=CC=C5)N 1 5.033 5 2 0 -6.05850669908492 3723290 C1=CC=C2C(=C1)N3C(=NC(=O)N(C3=O)C4=CC(=CC=C4)Cl)S2 1 4.782 3 2 0.108691340021616 3723240 CC(=NNC(=O)CNC(=O)C1=CC=CC=C1Br)C2=CC=CO2 1 1.867 3 3 0 -11.3403600673631 3723109 CC1=CCC(C(C1)C2=CC=C(C=C2)F)(C(=O)NN=CC3=CC=CS3)C(=O)O 1 4.15 2 3 -5.09536275096028 3723106 CC1=CC=CC=C1C(CC(=O)C2=CC=CS2)C(C#N)C#N 1 3.699 2 1 -7.11755399302114 3723092 C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3Cl)CC(=O)NC4=CC=C(C=C4)F 1 6.138 2 1 3.03579211527836 3723059 CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC=NC=C4 1 2.502 9 3 0 -27.183453576192 3723045 C1CCN(C1)C(C2=CC=C(C=C2)Br)C3=CC4=C(C=C3O)OCO4 1 4.251 1 3 -1.272322026429 3723042 C1C(C1C(=NO)C2=CC=C(C=C2)F)C3=C(C=CC=C3Cl)F 1 4.754 1 1 -1.35814370777794 3723038 COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Br 1 4.053 2 5 0 -15.4415748812335 3723035 C1CC(CCC1CNC(=O)OCC2=CC=CC=C2)C(=O)O 1 2.974 1 4 -12.2280950178364 3722818 CC1=CC=C(O1)C(=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)C 1 3.938 2 3 -3.91219448251936 3722666 CC1(C(SC(=S)N1C)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)Cl)C 1 5.074 3 4 0 -2.48906547367673 3722652 CCOC(=O)CSC1=NNC(=N1)NS(=O)(=O)C2=CC=CC=C2C(F)(F)F 1 2.68 4 4 0 -12.7224537410694 3722651 C1=CC(=C(N=C1)NCC(=O)O)[N+](=O)[O-] 1 0.403 3 4 0 -6.65736309842014 3722644 C1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)Cl)C=NOCC4=CC(=CC=C4)F 1 5.265 3 1 6.10838659154455 3722479 C1C(N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)O)C3=CC=CS3 1 2.9 2 3 -17.7975044083122 3722444 C1C(=NN2C(=NN=C2S1)C3=CC=CO3)C4=CC=CC=C4Cl 1 3.779 4 1 0.224959199787597 3722439 CC(C)N1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C 1 2.14 5 3 0 -14.8044364298409 3722422 C1C(C1(Cl)Cl)CS(=O)CC2CC2(Cl)Cl 1 1.732 0 1 0 1.84673193106395 3722411 CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CN(C4=CC=CC=C43)C 1 3.251 3 1 -6.70262428015764 3722408 COC1=CC=CC=C1C2C3=C(CCCC3=O)OC(=C2C(=O)OC)N 1 1.812 1 5 0 -21.618311771454 3722386 C1CS(=O)(=O)CC1NC(=S)SCC2=CCS(=O)(=O)C2 1 0.955 1 4 0 -8.82003275300759 3722381 COC1=CC2=C(CC(=O)NC2C3=CC=C(C=C3)Cl)C=C1 1 3.086 1 2 -6.15701812472127 3722334 C=CCNC(=O)C1=CC=C(C=C1)C2=NC(=CS2)C3=C(C=C(C=C3)Cl)Cl 1 5.311 2 1 -1.59636998930172 3722211 CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.44 2 8 0 -14.7095159659538 3722206 COC1=CN=C(N=C1OC2=CC(=CC=C2)Cl)C3=CC=CC=N3 1 3.696 3 2 8.61812524783638 3722148 COC1=CC(=C(C=C1C=NNC2=NC3=CC=CC=C3N2)OC)OC 1 2.819 4 3 0 0.553720083021238 3722048 COC1=CC=CC(=C1OC)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC=CC=C6O)S5 1 5.809 2 4 -11.849166721028 3722012 CC1(CC2=C3C(=C(SC3=NC(=C2CO1)N4CCOCC4)C(=O)NC5=CC=CC=C5)N)C 1 2.92 4 3 0 -14.4391239211588 3721923 CN1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)OC 1 1.051 4 3 0 -3.09941811491147 3721898 CCCN1C(=O)C2=C(N=C3N2CCCN3CC4=CC=CC=C4)N(C1=O)C 1 2.321 5 2 0 -10.0432834507186 3721860 CCN1CNC(=S)N(C1)C(C)C2=CC=CC=C2 1 3.425 3 0 -7.01654477943444 3721854 C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)N4CCOCC4)N)N5CCOCC5 1 2.289 4 3 0 -10.2440401391255 3721751 CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=C(C=C(C=C2)F)F)SC3=CC=CC(=C3)C(F)(F)F 1 6.231 3 1 0.378064292903767 3721743 COC1=CC=C(C=C1)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N 1 3.229 2 2 1.53870970532221 3721742 CC1CN(CC(O1)C)C(=O)NC2=CC3=C(C=C2)OCCO3 1 1.38 2 4 0 -13.5226867340986 3721741 COC(=O)C1=NN(C(=C1C=NO)SC2=CC=CC=C2)C3=CC=CC=C3 1 4.41 3 3 1.58944774308581 3721739 C1C(C2=CC3=C(C=C2C1=NO)OCO3)NC(=O)C(F)(F)F 1 1.583 2 4 0 -3.50241957386895 3721738 C1=CC(=C(C(=C1)F)C(=O)OC(CC#N)CNC2=C(C=C(C=N2)C(F)(F)F)Cl)F 1 4.556 3 2 0.561900485142824 3721736 CC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3CS2 1 4.235 2 0 -5.10477414507167 3721707 CC(C)C1C(C=NN1C(=S)N)(C)C 1 2.267 3 0 -2.9443345283668 3721695 COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CC(=O)NN=CC4=CC(=C(C=C4)OC)OC)OC 1 4.15 4 5 0 -13.3679404442031 3721694 CC(=NNC(=O)CNC(=O)CCC1=CC=CC=C1)C2=CC=C(C=C2)Cl 1 2.879 3 2 -15.7099915133149 3721677 CCOC1=CC=C(C=C1)NC2=NNC(=S)S2 1 3.342 3 1 -5.69743716859278 3721644 C1CN(CCN1CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5 1 2.159 4 6 0 -5.16293274235362 3721638 CC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(S2)C(=O)C3=CC=CC=C3Cl 1 4.664 3 3 -7.9528312937058 3721637 C1=CC(=CC(=C1)Cl)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N 1 3.91 2 1 2.98644601073491 3721626 CN1C2=C(C=C(C=C2)OC)C3=C1C(=NC=N3)N(C)C4CCCCC4 1 4.102 4 1 -0.58937482391619 3721614 C1=COC(=C1)C(=O)NNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N 1 0.414 4 5 0 -5.24008228571825 3721608 COC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 1 2.455 2 4 -5.50015703573354 3721582 CC1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)CCl 1 0.927 3 3 0 -7.51327268320457 3721580 COC1=C(C=C(C=C1)Br)C=NNC(=O)CNC(=O)C2COC3=CC=CC=C3O2 1 2.248 3 5 0 -6.58468679211488 3721496 COC1=CC=CC=C1N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C4=CC=CC=C4 1 2.452 3 5 0 -8.70845680755848 3721495 COC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C)C4=CC=CS4)Cl 1 3.539 3 3 -2.89456510685509 3721487 CCOP(=O)(C(C1=CC=C(C=C1)OC)NC2=CC(=CC=C2)[N+](=O)[O-])OCC 1 3.311 2 6 0 -9.20425530761865 3721479 CC1=CC(=O)N=C(N1)N=NC(=NNC2=CC=C(C=C2)OC)C3=CC=CC=C3 1 4.51 6 2 0 -8.53134767136025 3721416 CCOC(=O)NC(=O)C(=NNC1=C(C=CC=C1F)F)C#N 1 2.321 4 3 0 -3.65247586607751 3721415 CC1=C(C(C(=C(N1)C)C#N)C2=CC=CC=C2O)C#N 1 1.677 3 1 0 -5.6769728170414 3721360 CC1=CC2(C(C(N1)C3=CC=CC=C3)(C(=NC2(OC)OC)N)C#N)C#N 1 0.995 5 2 0 -3.02619873773323 3721390 CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C 1 2.873 0 7 0 -5.17918740786842 3721255 CC(C)OP(=O)(C(C1=CC=C(C=C1)Br)O)OC(C)C 1 2.94 0 4 -2.9529215219565 3721186 CCS(=O)(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)[N+](=O)[O-] 1 0.517 5 5 0 -21.9422805000184 3721139 CCCCCC1CC(OC1=O)C(=NNC(=O)N)C 1 1.5 3 3 0 -8.95892045856197 3721118 C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=C(C=C4)Br 1 4.747 3 1 -1.75697029237804 3721074 COC(=O)C(CC(=O)O)NCC1=CC=CO1 1 -2.583 1 5 0 -12.5093150882245 3721011 CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=O)N(C3=O)C)C)C 1 2.929 3 3 -7.30707460843923 3720999 COC1=CC=C(C=C1)C=NNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F 1 4.649 2 4 -9.34398333175484 3720993 C1=CC=C2C(=C1)N=CC(=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.6 2 2 -0.987182991120105 3720971 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)NNC(=O)C4=CC=CC=C4F 1 3.222 3 4 0 -17.9451620384467 3720966 COC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)CN5C=C(C=N5)[N+](=O)[O-] 1 4.326 5 5 0 -16.8360951681206 3720930 CCOC(=O)C1=CNC2=C(C=C(C=C2C1=O)C)Cl 1 2.528 1 3 -1.32724469815858 3720929 CC(C)(C)NC(=O)NC(=O)CN1C(=O)C2=C(N=CN2CCOC)N(C1=O)CC3=CC=CC=C3 1 1.123 6 5 0 -22.0058920712687 3720881 C1=CC(=CC=C1C2=NNN=N2)OCCOCCO 1 0.612 4 3 0 -1.09211322563044 3720867 COC1=CC(=C(C=C1)N(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)N 1 2.911 2 5 0 -4.86753465892646 3720756 CCCNC1=CC(=S)N=C(N1)N 1 1.026 4 0 0 -5.5186499472056 3720751 CCCN1C=NC2=C1NC(=NC2=S)N 1 1.037 5 0 0 -8.62974441014829 3720724 C1COCCN1CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCC5=CC=CC=C5 1 0.985 6 3 0 -23.8560931360646 3720648 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)O 1 5.093 1 6 0 -5.83652792796624 3720542 C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O 1 2.98 2 3 -9.8332812791721 3720544 C1CS(=O)(=O)CC1N(CC2=CC=CO2)C(=O)COC3=CC=C(C=C3)Br 1 2.1 1 5 -15.8593568790278 3720580 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-])C 1 3.535 4 5 0 -10.8318152955733 3720476 CN1C2=C(C(C(=O)N2)CC(=O)NC3=CC=C(C=C3)F)C(=O)N(C1=O)C 1 3.2e-002 4 4 0 -17.9249244582686 3720382 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3 1 2.92 4 6 0 -13.4819635283974 3720316 CC(C)(C)OC(=O)NCCC1=NN=C(O1)SC 1 1.43 3 3 0 -17.2753895366706 3720284 CC(=NOCC1=CC=C(C=C1)Br)C2=CC=CC=N2 1 3.286 2 1 0.228314500307208 3720205 C1CCC2=NN=C(N2CC1)COC3=CC=CC=C3 1 2.588 3 1 -7.84404926213467 3720200 CC1=NN(C(=O)N1N(C)C2=C(C=C(C=N2)C(F)(F)F)Cl)CC3CC3 1 3.241 5 1 -1.48432446676556 3720199 C1=CC(=C(C(=C1)Cl)CON=CC2=CC=C(C=C2)OCCCF)Cl 1 5.054 1 2 -0.611427943250268 3720136 COC(=O)C(CC1=CN=C(S1)Cl)(C2=CC=CC=C2[N+](=O)[O-])C(=O)OC 1 2.553 2 6 0 -3.16683265945975 3720080 C1=CC(=CC=C1C2=CSC(=S)N2)Cl 1 3.302 1 0 1.41146275828131 3720072 CSC1=NC2=CC=CC=C2C(=N1)NCC3=CC=CO3 1 3.091 3 1 0.956185581169363 3719993 COC1=C(C=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)CCN6CCOCC6)OC 1 3.767 4 4 0 -12.24359553273 3719985 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=CC=C2)C(=O)NN=C(C)C3=CC=CC=C3 1 2.722 4 3 0 -13.0235599688364 3719952 C1=CC(=CN=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1 1.912 5 6 0 0.321708925873332 3719891 CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O 1 5.43 1 6 0 -14.1385456834708 3719888 CCCNC(=O)NC1=NN=C(S1)C2CC2 1 1.311 4 1 0 -12.7459182911887 3719872 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=CC=C4 1 3.054 2 4 -21.2927578057584 3719816 C1=CC=C2C(=C1)C(=NC(=N2)Cl)NN=CC3=CC(=CC=C3)Cl 1 4.428 4 0 6.73974565017566 3719814 CC1=C(C(=CC=C1)C)NC(=O)NCCSC2=C(N=NS2)C 1 3.061 4 1 -14.3733795460254 3719768 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 4.112 4 4 0 -8.9993765620803 3719727 C1COCCN1CCCNC(=O)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NCCCN3CCOCC3 1 0.919 5 4 0 -5.63974497301667 3719725 CN(CCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O)C3=CC=CC=N3 1 2.047 4 4 0 -9.56712280169468 3719699 C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=C(C=C3)NCCCO)[N+](=O)[O-] 1 1.724 4 4 0 -9.6813532514773 3719648 CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=CC5=CC=CC=C54 1 3 3 4 0 -16.3544415740733 3719436 CCCCCCC(=O)N(C1CC(=O)N(C1=O)C2=CC=C(C=C2)F)O 1 2.779 2 4 -8.11440306453876 3719414 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NN=CC3=CC=CC=C3OC 1 3.013 6 1 0 -0.226682203881755 3719398 C1CN=C2N(C1)C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])S2 1 2.184 3 3 -12.2822809417082 3719374 C1CC1NC(=O)C2=NOC(C2)CNC3=C(C=C(C=N3)C(F)(F)F)Cl 1 2.261 4 2 -3.03608109669116 3719371 CCOC(=O)CC1N(C(=O)N(O1)C)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.42 3 6 0 -13.0117213381492 3719369 CC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCOCC3 1 1.719 3 2 0 -7.26577282346715 3719364 C1CCN(CC1)CCNC(=O)C2=C(N=C(C=C2)Cl)Cl 1 2.69 3 1 -7.33301253664953 3719279 CC1=CC(=NN1C2=NC3=CC=CC=C3C(=O)N2OCC(=O)OC)C 1 1.902 4 4 0 -12.807531774621 3719225 CC1=CC=C(C=C1)S(=O)(=O)N=C2N(C(=CS2)C)C 1 1.767 2 2 0 -7.28999158237004 3719211 C1CCC(C1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CC=C5Cl 1 2.904 5 2 0 -18.3426886746175 3719208 C1CS(=O)(=O)CC1N(CC2=CC=CS2)C(=O)COC3=CC=CC=C3Cl 1 2.574 1 4 -16.8247704945597 3719178 CN1C2C(N(C1=O)C)N(C(=O)N2)N=CC3=CC=CC=C3 1 0.857 5 2 0 -5.83211369420911 3719172 CC(C)(C)C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3 1 3.165 4 0 -1.45550528792262 3719133 C1C(=O)N(C(S1)C2=CC=NC=C2)CC3=CC=CC=C3 1 2.095 2 1 -9.32476811886562 3719051 CCOC(=O)C(CCCCCCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C 1 4.795 1 4 -18.579108685663 3719048 C1CCN(CC1)C(=S)SCC(=O)NC2=NC=C3C(=N2)CC(CC3=O)C4=CC=CO4 1 3.497 4 3 0 -25.4840199658804 3719024 CC1(C2(CCC1(CC2=NO)C(=O)NC3=C(C=CC(=C3)Cl)Cl)C)C 1 3.976 2 2 -2.41707111594023 3719021 COC1=CC(=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4OC)S2)OC 1 3.817 3 4 0 -7.27561233764151 3718967 C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2NCCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-])Cl 1 2.927 4 7 0 -10.6886912078996 3718899 C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC3=CC4=C(C=C3)NC=C4 1 4.049 3 1 -4.10700830526569 3718852 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)N(CCC3=CC=CC=C3)C(=S)NC4=CC=CC=C4 1 6.397 3 2 -8.51964867262656 3718851 CC(C)COP(=O)(C(C1=CC=C(C=C1)N(C)C)O)OCC(C)C 1 3.284 1 4 -6.54289514633926 3718846 COC1=C(C=C(C=C1)C=NNC(=O)C2=NC(=C(C(=C2Cl)N)Cl)Cl)COC3=C(C=C(C=C3)F)F 1 5.378 4 3 0 -5.81715058501308 3718834 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)C(=O)C 1 3.006 2 3 -7.13090239062882 3718766 C1(=NNN=C1Cl)C2=NNC(=N2)Cl 1 1.182 6 0 0 3.37681569613687 3718696 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C3=CN4C=CC(=CC4=N3)C 1 2.563 3 3 -13.785608783201 3718671 CC(=O)C(=NNC1=CC=CC=C1Cl)SC2=NN=C(N2C3=CC=CC=C3)C(C4=CC=CC=C4)O 1 5.551 5 2 0 -7.73695067424839 3718599 CC1=C(OC2=CC=CC=C12)C(=O)N(CC3=CC=C(C=C3)N(C)C)C4CCS(=O)(=O)C4 1 3.578 2 4 -6.38507819229783 3718577 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)C)O 1 4.285 3 3 -15.1651797371838 3718565 CC1=CC=C(O1)C2N(C3=CC=CC=C3C4=NC5=CC=CC=C5N24)C 1 4.786 3 1 -0.680253336114232 3718559 C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C4=CC=CC=C43)S(=O)(=O)O 1 3.521 1 4 3.16657813251385 3718519 CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)C(C)(C)C 1 2.27 2 2 -1.90515100275932 3718446 CC(C1=CC=NC2=NC(=NN12)N=CN(C)C)OC3=CC(=CC=C3)Cl 1 2.554 6 1 0 -2.24550079861012 3718385 CC1=C(SC=C1)C=NNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 2.394 3 2 -7.83594178696199 3718319 C1=CC(=CN=C1)C#CC2=CC=C(C=C2)Cl 1 3.452 1 0 7.20949737059418 3718299 CC1=C(C=CC(=C1)C(=O)NC2=CNC(=O)NC2=O)[N+](=O)[O-] 1 -0.142 4 5 0 -18.0374683346541 3718250 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC=C(C=C3)CCO 1 2.255 2 5 0 -10.0806113934393 3718221 COCCNC1=NN=NC2=C1SC3=NC(=C4CCCCC4=C23)N5CCOCC5 1 2.58 6 2 0 -12.9632805605543 3718219 CC(C)CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC(=C(C(=C2)OC)OC)OC)O 1 4.163 1 6 0 -10.6957690828725 3718056 CCCSC1=CC(=O)N(N=C1C(=O)OCC)C2=CC=C(C=C2)F 1 3.23 2 3 -8.11502781964542 3718011 C=CCOC1=CC2=C(C=CC=C2C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C=C1 1 5.239 3 4 0 -3.85478079000712 3717942 CN1C(=O)C(=CC2=CC=C(C=C2)OCCN(C)C3=CC=CC=N3)C(=O)N(C1=O)C 1 2.459 4 4 0 -10.1664536832375 2391955 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=CC=C3OC(F)F 1 3.485 3 2 -4.28020857450455 2391902 C1=CC(=C(C=C1NC(=O)CSC2=NC(=O)C=C(N2)N)Cl)F 1 1.741 4 2 0 -13.0857221611666 2391880 COC1=CC(=CC(=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2)OC 1 3.073 1 5 -16.3599308252846 2391866 CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N 1 4.012 2 4 -8.580875572713 2391853 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)/C=C/C2=CC=CO2 1 2.062 2 7 0 -10.5970619360776 2391838 C1=CC2=C3C(=C1)N(S(=O)(=O)C3=CC=C2)CC4=CC=C(C=C4)C(=O)NN=CC5=CC=C(C=C5)C(=O)O 1 3.668 3 5 0 -4.94414597105532 2391831 CC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl 1 5.597 1 3 -9.63652389654311 2391765 CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.855 2 5 0 -14.3915064228821 2391741 CCN(C1=CC=CC=C1)C(=O)COC(=O)CCC2=CC=CC=C2 1 3.367 1 3 -12.5255155580882 2391726 C1COCCN1C2=NC(=C(S2)C=NNC(=O)C3=CC=CC=C3O)C4=CC=CC=C4 1 2.906 4 3 0 2.47447201909585 2391700 C1=CC=C2C(=C1)C(=NS(=O)(=O)C3=CC=CS3)C=C(C2=O)NC4=CC=C(C=C4)O 1 3.803 2 4 1.39613155251682 2391692 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 4.379 1 4 -1.738901520497 2391681 CC1=CC=C(C=C1)CNC(=O)CCC(=O)C2=CC=CS2 1 3.016 1 2 -14.9575185934773 2391674 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.06 3 3 -11.7119936027739 2391673 CNC(=S)NN=CC1=CC=C(S1)N2CCOCC2 1 2.159 4 1 -7.20040435820932 2391626 CC(C)(C)OC(=O)NN=CC1=CC=C(S1)N2CCOCC2 1 2.521 3 3 -7.98952012069976 2391625 CCOC(=O)NN=CC1=CC=C(S1)N2CCOCC2 1 1.938 3 3 0 -6.58297021335013 2391620 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=C(C=C3)C(C)(C)C 1 4.08 3 1 -2.24599834158133 2391569 CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)NCCC2=CCCCC2 1 3.234 2 3 -17.6920719416549 2391541 C1=CC=C(C(=C1)C(=O)OCC(=O)N)OCC2=CC=C(C=C2)Cl 1 2.77 1 4 -5.30492201040681 2391519 C1COCCN1C2=CC=C(S2)C=NNC(=O)N 1 0.736 4 2 0 -5.87893622138673 2391466 CN(C1=CC=CC=C1)C(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.889 2 5 0 -6.37984192613658 2391456 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3)O 1 4.091 1 6 0 -1.3695463941418 2391442 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NNC(=O)N 1 2.935 5 1 1.73546179832222 2391428 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CN=C(C=C2)Cl 1 2.795 2 3 -17.7197408544959 2391404 COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)N2CCCC2 1 1.937 1 4 0 -7.02135179727936 2391388 C1=CC=C(C(=C1)/C=C/C(=O)OCC(=O)N)[N+](=O)[O-] 1 0.901 2 5 0 -5.41818609833568 2391381 CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)/C=C/C2=CC=CS2)C 1 4.201 1 3 -9.00527277716614 2391369 C1=CC=C(C(=C1)NC(=O)COC(=O)/C=C/C2=CC=C(O2)Br)F 1 2.958 1 4 -8.5574234065144 2391340 CC1=CC=CC=C1N2C(=C(C(=N2)CSC3=NC4=CC=CC=C4N3)C5=CC=CC=C5)N 1 5.836 5 0 -1.91488863565761 2391336 C1COCCN1CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.823 5 3 0 1.94762953037455 2391334 CC1=CC(=C(C=C1)N2C(=C(C(=N2)CN3CCOCC3)C4=CC=CC=C4)N)C 1 3.901 4 1 2.11592787040796 2391321 C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 2.874 3 4 0 -12.4422640707664 2391304 COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NCCS2 1 2.358 2 3 -20.3862590647708 2391290 C1CN(CCN1C(=O)COC(=O)C2=COCCO2)C(=O)C3=CC=CO3 1 -0.859 2 7 0 -12.6675478728723 2391270 CC1=NC(=NC=C1)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 1.911 4 4 0 -16.629525839655 2391258 C1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC5=C4C(=CC=C5)C3=O 1 4.335 3 2 -3.07874968525447 2391252 CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC)Br 1 3.998 1 6 0 -14.8715562594064 2391200 COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2CCCC2 1 1.897 2 7 0 -15.5588255527064 2391188 COC1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.877 2 5 0 -22.0494105229359 2391161 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCC3=CC=CC=C3Cl 1 2.558 2 4 -23.0000837442752 2391136 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC=CC=C2OC 1 0.715 3 4 0 -17.0051849621373 2391135 C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NC=NN3 1 3.655 4 1 -13.0247044812657 2391103 CCOC(=O)NN=CC1=C(N(N=C1C)C2=CC=CC=C2Cl)Cl 1 3.643 4 2 -6.57663704917779 2391092 CC(=O)OCC(=O)NC1=CC=CC=C1C(=O)OC 1 0.512 1 5 0 -13.2188151822501 2391082 C1CCC(C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.706 2 5 0 -14.5000384147719 2391076 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl 1 2.034 3 5 0 -20.3129332853089 2391069 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3(CCCC3)C4=CC=C(C=C4)F 1 3.075 3 4 0 -16.3774152509382 2391011 C1=CC(=CC=C1COC(=O)C2=CC(=C(N=C2)Cl)Cl)[N+](=O)[O-] 1 3.55 2 4 -5.64686549781263 2390981 COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3N2 1 2.927 3 3 -13.3202391782888 2390966 C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)OCC(=O)C4=CC=C(S4)Cl 1 5.516 1 3 -4.09163100995336 2390959 CC(=C)CNC(=S)NN=C1C2=CC=CC=C2C3=CC=CC=C31 1 4.627 3 0 -11.1119625137093 2390958 CC1=NN(C(=C1C=NNC(=O)C2=CC3=CC=CC=C3C=C2O)N4CCCC4)C5=CC=CC=C5 1 4.606 5 2 0 1.34090073298385 2390950 C1=CSC(=C1)C(=O)CCC(=O)NCC2=CC=C(C=C2)F 1 2.735 1 2 -14.245641568012 2390932 C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)CNC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4 1 5.459 5 1 7.52490337766104 2390931 CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)N(C(C)C)C(C)C)[N+](=O)[O-] 1 1.844 3 6 0 -19.488735599576 2390928 COC1=CC=CC=C1C=NNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC5=C4C(=CC=C5)C3=O 1 4.319 3 3 -2.94477648082018 2390924 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(C=C3)O 1 3.598 1 4 -1.63816861170896 2390885 C1=CC(=CC=C1NC(=O)C2=CC=[N+](C=C2)[O-])OC(F)F 1 1.425 2 3 0 -6.44133940326023 2390866 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)COC3=CC=CC4=C3N=CC=C4)OC 1 4.404 3 4 0 -14.0868366600843 2390823 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.925 2 6 0 -18.3525750687189 2390812 C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC(=O)C=C(N3)N 1 2.157 4 2 -12.3226205224403 2390805 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C)S(=O)(=O)N3CCCCC3 1 1.721 3 3 0 -15.557333969777 2390784 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC=NC=C2)C 1 2.011 2 5 0 -12.3583953837359 2390774 C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=C(C=CS3)C#N 1 2.514 4 2 -15.9657935444652 2390758 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 0.573 5 3 0 -15.3635570748968 2390757 COC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.035 6 4 0 -19.7921952776666 2390756 CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 0.843 7 3 0 -27.1986394715629 2390728 C1CCC(C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.706 2 5 0 -12.3118920412813 2390727 C1=CC=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)O 1 3.304 1 3 0.452014104470334 2390725 CC(C)N(C(C)C)C(=O)COC(=O)C1=CC(=CC(=C1N)Cl)Cl 1 2.985 2 3 -7.15948677145447 2390680 COC1=CC=CC=C1NCCC(=O)OCC(=O)NC2CCCCC2 1 2.495 2 4 -14.7431510754622 2390665 C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=CC=CC=C3 1 3.592 2 2 -7.13105104522072 2390654 CC(=O)NC1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.275 4 5 0 -16.2106907894649 2390644 CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)C 1 2.818 5 3 0 -17.7246530541077 2390608 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4 1 2.633 4 3 0 -14.4943746553297 2390593 CC1=C(SC=C1)C=NN2C=NC3=C(C2=O)C(=C(S3)C)C 1 3.459 3 1 -6.59482830480373 2390583 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F 1 3.977 3 5 0 -8.88959911846592 2390571 C1=CC(=CC=C1C(=O)NCCCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)Cl)Cl 1 3.944 2 4 -17.4775962779071 2390567 C1=CC(=C(C=C1Br)C(=O)OCC(=O)NC2=C(C=CS2)C#N)O 1 2.493 2 4 -8.6874932799198 2390538 C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3 1 1.196 6 1 0 -13.7757552328568 2390518 C1=CC=C(C(=C1)NC(=S)NN=CC2=CC=C(O2)[N+](=O)[O-])F 1 3.705 4 3 0 -5.41026033489809 2390510 CCCC1=CC(=O)N=C(N1)SCCN2C(=O)C3=CC=CC=C3C2=O 1 2.628 3 3 -12.9789165610783 2390494 COC1=CC=C(C=C1)OCC(=O)NN=CC2=CSC=C2 1 2.164 2 3 -7.0449729678468 2390489 COC1=CC(=CC(=C1OC)OC)C(=O)NCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=O 1 2.909 2 6 0 -14.8242213931522 2390478 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NNC(=N3)N 1 2.012 6 2 0 -3.98191423053804 2390444 CN1CCN(CC1)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 1 2.224 5 1 3.7595140033881 2390425 C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=NNC(=O)NC2=O 1 3.5e-002 4 5 0 -23.4187707195024 2390357 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 3.444 3 4 0 -9.52687356208089 2390321 C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)OCC(=O)O 1 3.3 3 6 0 -10.053878090014 2390316 C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC(=CC=C3)OC(F)F 1 3.171 1 5 -8.01833063068222 2390295 C1=CC(=CC(=C1)Br)C2=CSC(=N2)NC(=O)COC(=O)/C=C/C3=CC=CS3 1 4.435 2 3 -1.29880056716944 2390201 CC1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.589 2 6 0 -25.7631893776004 2390197 CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.589 2 6 0 -25.6223401934104 2390105 C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.399 3 5 0 -8.89009374540134 2390034 CC1=CC(=C(C=C1)OC)CN2C(=O)C3=CC=CC=C3C2=O 1 2.915 1 3 -1.37695230658286 2390001 CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NN 1 3.402 2 2 -4.20897820306851 2389968 C1=CC=C(C(=C1)/C=C\2/C(=O)NC(=S)N2)OCC3=CC=C(C=C3)C(=O)O 1 3.027 2 4 -9.12800446484044 2389948 C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NN=C3 1 2.258 3 1 -5.96800729089186 2389945 CC1=C(SC(=N1)N)CC2=CC3=C(C=C2)OCO3 1 1.975 2 2 0 0.793293396202085 2389900 C1=CC(=C(N=C1)Cl)NC(=O)CSC2=NNC(=N2)N 1 0.807 6 1 0 -8.40172697032223 2389878 C1CN(CCN1C2=CC=CC=C2O)C(=S)NC3=CC=C(C=C3)SC(F)F 1 5.799 3 1 -6.16561171589929 2389861 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)C#N 1 3.709 4 3 0 -21.4105866960325 2389830 CCOC(=O)/C(=C/C1=CN(N=C1C2=CC=C(C=C2)Br)CCC(=O)O)/C#N 1 3.415 3 4 0 -10.8726594788252 2389817 CCOC(=O)/C(=C/C1=CN(N=C1C2=CC=C(C=C2)OC)CCC(=O)O)/C#N 1 2.651 3 5 0 -11.5799216848197 2389808 CCOC(=O)/C(=C/C1=CN(N=C1C2=CC=C(C=C2)F)CCC(=O)O)/C#N 1 2.873 3 4 0 -10.5261213988453 2389804 CCOC(=O)/C(=C/C1=CN(N=C1C2=CC=CC=C2)CCC(=O)O)/C#N 1 2.667 3 4 0 -11.7125148406258 2389793 CCOC(=O)/C(=C/C1=CN(N=C1C2=CC(=CC=C2)Cl)CCC(=O)O)/C#N 1 3.332 3 4 0 -7.90663813439991 2389784 CCOC(=O)/C(=C/C1=CN(N=C1C2=CC=C(C=C2)Cl)CCC(=O)O)/C#N 1 3.332 3 4 0 -9.41599973372374 2389775 COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)CCC#N 1 2.575 5 1 0.650302239346271 2389752 CCOC(=O)/C(=C/C1=CN(N=C1C2=CC(=CC=C2)Br)CCC(=O)O)/C#N 1 3.415 3 4 0 -9.70056010994243 2389750 C1=CC(=CC=C1C(=O)NCCCC(=O)OCC(=O)NC2=CC=C(C=C2)Br)Cl 1 3.363 2 4 -17.0276235938188 2389729 COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.104 2 5 0 -13.6940648957859 2389705 C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)Br 1 4.757 4 1 -0.312158322115887 2389690 C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)NC4=C(C=C(C=N4)Cl)Cl)Cl 1 4.478 3 5 0 -20.5230861101511 2389684 C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 3.122 2 4 -5.51431045184078 2389655 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N 1 2.445 2 3 -8.15526536216025 2389630 C1=CC(=CC=C1CNC(=O)/C(=C\C2=CC(=C(C=C2)O)O)/C#N)Cl 1 3.108 2 3 -4.8751261432363 2389587 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)SC(F)F 1 5.089 1 4 -12.0576427365886 2389564 CC1=CC(=C(C=C1)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)Br 1 6.314 3 1 -7.39973603668367e-002 2389541 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3 1 3.878 2 3 -13.4265986885975 2389520 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC(=C(C=C3)OC)OC 1 3.525 3 3 -13.803706204246 2389481 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3CC3 1 2.464 3 1 -8.74159077022759 2389466 C1=COC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.422 2 6 0 -12.7810131836361 2389464 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=C(N=CC=C2)Cl)OC(F)F 1 2.85 2 4 -9.28865527728813 2389454 C1=C(C=C(C(=C1Cl)N)C(=O)OCC(=O)N)Cl 1 1.121 2 3 0 -5.27317262972603 2389453 COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)N5CCOCC5 1 4.548 3 5 0 -10.9060722520168 2389423 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=C(C=C(C=N4)Cl)Cl 1 3.807 3 5 0 -20.668726742894 2389382 C1=COC(=C1)CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N 1 1.428 2 4 0 -14.3820543364484 2389378 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32 1 2.92 4 3 0 -16.7166533565961 2389356 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4OC 1 4.615 2 5 0 -21.2221925522896 2389352 C1CCC(CC1)NC(=O)NN=CC2=CC=CC=C2F 1 3.078 3 1 -5.82916005684062 2389348 CCOC(=O)N1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4 1 3.54 4 2 -0.80440850649524 2389343 C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.687 2 5 0 -10.7260535244461 2389332 CCOC(=O)C1=CC(=NN1CCC#N)C2=CC=CC=C2 1 2.901 3 2 -3.94954569236744 2389324 CC1=CC(=NC2=NN=C(N12)SCC(=O)NC3=C(C=C(C=C3)F)F)C 1 2.916 5 1 -16.6002567651605 2389317 C1=CC=C(C=C1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O 1 4.401 1 4 -12.0506645823644 2389269 CN(C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.056 2 6 0 -14.5695444801924 2389222 C1=CC=C(C=C1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 3.736 1 4 -12.2011592310423 2389220 C1=CC=C(C=C1)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O 1 5.343 1 4 -8.26733492491802 2389214 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NNC3=S)C4=CC=CC=C4Cl 1 3.435 5 1 -12.080213994477 2389205 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)N2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)O 1 2.796 4 4 0 -9.82207049772683 2389199 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=C(C=C(C=C3)OC)OC 1 2.592 3 5 0 -12.3968271389967 2389192 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC=CC=C3C 1 3.171 2 3 -8.49335484883145 2389179 C1=CC=C(C=C1)CNC(=O)CNC2=CC=CC=C2C3=CC=CC=C3 1 3.8 2 1 -7.110608588196 2389170 C1COC2=C(O1)C=CC(=C2)NC(=O)CNC3=CC=CC(=C3)C#N 1 1.939 3 3 0 -12.3882635825933 2389159 CN(CC(=O)N1CCC2=CC=CC=C2C1)C3=CC=CC=C3 1 2.916 2 1 -9.03746017081237 2389156 CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)CC3=CC=CN3C 1 4.125 4 1 -13.3631056290944 2389148 COC1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.223 1 5 -2.16813507183594 2389139 C1CN(CC2=CC=CC=C21)C(=O)COC3=C(C=C(C4=C3N=CC=C4)Br)Br 1 4.42 2 2 -6.63610364938813 2389100 COC1=CC=C(C=C1)C(=O)CNC2=CC=CC=C2C#N 1 2.757 2 2 -5.87888985541559 2389098 CC1=CC=C(C=C1)C(=O)CNC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 3.258 2 4 -6.28906814897436 2389097 CC1=CC=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Br 1 3.995 2 3 -5.23620106774258 2389091 COC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3 1 2.624 2 3 -7.72941654358971 2389083 C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(C=C2C=NO)CCC(=O)O 1 1.877 4 5 0 -2.98606220563881 2389080 COC1=CC=C(C=C1)C2=NN(C=C2C=NO)CCC#N 1 2.215 4 2 4.05601180309896 2389062 C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(C=C2C=NO)CCC#N 1 2.126 5 3 0 1.50903908277987 2389061 C1=CC=C(C=C1)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 2.65 2 3 -9.14651485750149 2389053 COC1=C(C=C(C=C1)C2=NN(C=C2C=NO)CCC#N)OC 1 2.199 4 3 0 0.428074079450965 2389045 COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)O)CCC(=O)O)[N+](=O)[O-] 1 2.132 3 7 0 -6.7234870417661 2389022 COC1=CC=C(C=C1)C2=NN(C=C2CCC(=O)O)CCC(=O)O 1 2.26 2 5 0 -5.4736819831915 2389010 CC1=CC=C(C=C1)C2=NN(C=C2CCC(=O)O)CCC(=O)O 1 2.763 2 4 -5.06071577404736 2388976 C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 4.469 3 5 0 -10.7378788977451 2388964 C1=CSC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 3.682 2 6 0 -6.85912783231668 2388958 CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CCCCC2)N 1 2.812 2 3 -15.6336053855524 2388927 COC1=C(C=C(C=C1)CCNC2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)OC 1 1.665 4 4 0 -8.72869605707267 2388925 C1COCCN1C2=NC3=CC=CC=C3NC2=O 1 0.205 3 2 0 -8.92576427554367 2388902 C1=CC=C(C(=C1)NC(=O)CC(=O)NC2=CC=CC=C2F)F 1 2.326 2 2 -4.44395400615774 2388900 C1=CC=C2C(=C1)NC(=N2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.085 3 3 -4.7968143152081 2388897 C1=CC(=C(C=C1Cl)NC(=O)CC(=O)NC2=C(C=CC(=C2)Cl)Cl)Cl 1 4.573 2 2 -1.28442233460328 2388890 C1=CC(=CC=C1NC(=S)NN=CC2=CC(=C(C=C2)F)F)Cl 1 5.161 3 0 -2.56262120089749 2388866 C1CN(CC2=C1N3CCS(=O)(=O)N=C3S2)CC4=CC=CC=C4 1 0.943 3 2 0 -7.74444799349519 2388859 CC1=C(C2=CC=CC=C2N1)C3=CN4CCS(=O)(=O)N=C4S3 1 1.197 3 2 0 -3.78395383648012 2388857 COC1=CC=C(C=C1)C2=C(SC3=NS(=O)(=O)CCN23)C4=CC=C(C=C4)OC 1 3.12 2 4 -3.95069177291098 2388852 CCCN1C2=CC=CC=C2N3C1=NS(=O)(=O)CC3 1 1.631 3 2 0 -7.34912385616447 2388850 CCC1=C(C(=CC=C1)CC)NC(=O)/C(=C/C2=CC=CC=C2C(F)(F)F)/C#N 1 5.748 2 1 -11.3572127168104 2388844 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.556 3 6 0 -21.2796942714441 2388843 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=C3CCCCC3)C#N 1 2.425 4 2 -15.7083074154335 2388824 CC1=C(OC2=C1C=C(C=C2)CCC(=O)C)C(=O)O 1 2.762 0 4 1.39826911959546 2388810 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)C)NC3=NS(=O)(=O)C4=CC=CC=C43 1 4.899 2 4 -5.93317117912901 2388799 COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=NS(=O)(=O)C4=CC=CC=C43 1 3.356 2 4 -7.32093092749253 2388787 CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC3=NS(=O)(=O)C4=CC=CC=C43 1 4.678 2 4 -3.70018616158886 2388777 CCOC(=O)C1=C(SC2=C1CCCCC2)NC3=NS(=O)(=O)C4=CC=CC=C43 1 4.026 2 4 -15.5289528208574 2388776 CC1=NN=C(N(C1=O)N)SCC(=O)NC2=CC=C(C=C2)N(C)C 1 0.858 6 2 0 -17.1536751699633 2388759 CC(C)NC(=S)NN=CC1=CC=C(C=C1)NC(=O)C 1 2.078 4 1 -14.2047394533319 2388746 COC1=CC=CC=C1OCCC(=O)OCC(=O)NC2=CC(=CC=C2)Br 1 3.137 1 5 -11.2712516500056 2388734 CN=C1N(C(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])N=CC3=CC=CO3 1 2.946 4 3 0 -4.22374079048577 2388700 COCCNC(=S)NN(C1=CC=CC=C1)C2=CC=CC=C2 1 3.836 3 1 -12.109896683576 2388695 C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl 1 4.068 2 2 -8.47021487287101 2388676 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)N 1 -0.485 4 8 0 -30.0364324647696 2388600 CC1=C(SC2=NC=NC(=C12)OCC(=O)NCC3=CC=CS3)C 1 2.649 3 2 -12.5668176529903 2388578 CCOC(=O)C1=C(NC(=C1C)C(=O)CN2C3=CC=CC=C3OC2=O)C 1 3.023 2 5 0 -7.84364070088379 2388576 COC1=CC(=CC(=C1)NC(=O)COC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)OC 1 4.085 1 5 -4.8584188028235 2388572 C1CCN(CC1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O 1 2.534 1 4 -6.36717448513623 2388571 COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC(=CC(=C2)OC)OC)OC 1 2.724 1 7 0 -12.9446748871929 2388570 C1CC1C2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCC5=CC=CC=C5C4 1 3.546 4 3 0 -23.114513403799 2388559 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl 1 2.735 3 6 0 -21.3455205537219 2388554 C1=COC(=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C(=C3F)F)F 1 2.958 2 4 -5.79735956720937 2388546 CC(C)N(C(C)C)C(=O)COC(=O)C1=CC=C(C=C1)O 1 2.161 1 4 -7.27478167122945 2388528 C1CC1C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl 1 2.407 1 3 -11.9335456840804 2388519 C1=CC(=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F)O 1 2.885 1 5 -4.24870280408445 2388429 CC1=CC=C(C=C1)C2=C(N=C(S2)C)CC(=O)O 1 2.935 1 2 0.690061788767798 2388427 CC(C)NC(=S)NN=CC1=CC=CC=C1[N+](=O)[O-] 1 2.852 4 2 -11.3159148689425 2388395 CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F 1 2.644 2 4 -12.7905921027155 2388365 COC1=CC=C(C=C1)CCNC(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3 1 5.883 3 2 -14.0938246547143 2388349 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC=C(C=C2)O 1 2.83 1 4 -13.1509114519031 2388327 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)O 1 2.638 2 6 0 -7.45123214778558 2388314 C1=CC=C(C(=C1)NC(=O)CSC2=NC(=O)C=C(N2)N)SC3=CC=C(C=C3)Cl 1 3.653 4 2 -12.7420856450353 2388289 CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)N 1 1.14 5 1 0 -21.0082435750242 2388287 CN1CCN(CC1)N=CC2=CC=C(C=C2)N(C)C3=CC=CC=C3 1 3.277 4 0 4.02832197027511 2388269 COCCNC(=S)NC1=CC=C(C=C1)N2CCCCC2 1 3.46 3 1 -10.7510770409592 2388246 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3 1 1.051 6 3 0 -20.7264593080231 2388217 COC1=C(C=C(C=C1)NC(=O)CCC(=O)C2=CC=CS2)Cl 1 3.171 1 3 -10.6097571346434 2388209 CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 4.306 3 2 -8.17771793305997 2388190 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=CC(=CC=C3)Cl 1 2.281 2 6 0 -22.6255561220648 2388181 CC(C)C(=O)NC(=O)COC(=O)/C=C/C1=CC=CS1 1 2.079 1 4 -11.7144510386256 2388177 COC1=CC(=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3)OC 1 4.317 1 6 0 -3.29982423395583 2388171 C1=CC=C(C=C1)C2=NC(=CS2)CSC3=NC(=O)C=C(N3)N 1 2.414 4 1 -5.60085784226743 2388151 CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)NC4=C(C=C(C=N4)C(F)(F)F)Cl 1 5.936 3 3 3.42016832136103 2388133 CCC(C)(C)NC(=O)/C=C/C1=CC=CS1 1 2.914 1 1 -9.28947348905502 2388124 COC1=CC=C(C=C1)OCC(=O)NC2=NC3=C(S2)CCCC3 1 2.821 2 3 -8.35215491004061 2388120 CCN(C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=C(C(=C(C=C2)F)F)F)S(=O)(=O)C3=CC=CC=C3 1 3.816 2 6 0 -17.7901198350099 2388115 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N(C)C)NC(=O)C3=CC=CO3 1 3.15 3 5 0 -16.9403090278965 2388112 COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)OC 1 4.382 2 5 0 -21.0316274862297 2388101 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC=C(C=C2)Br 1 3.821 1 3 -14.6654466175569 2388098 C1=CC(=CC=C1CC(=O)OCC(=O)NCC2=CC=C(C=C2)F)Br 1 3.317 1 3 -11.6737835289988 2388080 CC(C)C1=CC=CC=C1NC(=S)NN(CC2=CC=CC=C2)C3=CC=CC=C3 1 7.023 3 0 -4.99753309085878 2388073 CC(C)(C)C(=O)NC1=NC2=C(S1)CN(CC2)CC3=CC=CC=C3 1 3.445 3 1 -10.5631377668792 2388047 COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Cl 1 2.099 3 5 0 -12.0278215195706 2388041 CCC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 2.394 3 4 0 -11.4324447979334 2388028 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)Br)C(=O)O 1 2.2 3 4 0 -10.8276677166689 2388017 CC1=C(C=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Br 1 2.686 3 4 0 -11.0448887175096 2388014 CC1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 1.938 3 4 0 -13.926112435159 2388011 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=CC=C3)Br)C(=O)O 1 2.2 3 4 0 -9.83168435019372 2388007 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC3=C(ON=C3C)C)C4=CC=C(C=C4)C 1 3.749 3 3 -8.15280634999493 2387991 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)NCCC2=CCCCC2 1 3.524 1 4 -12.1914333441978 2387981 COC1=CC=CC=C1/C=C/C(=O)OCC(=O)NCCC2=CCCCC2 1 3.524 1 4 -12.9883038633748 2387975 C1=C(SC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.289 3 5 0 0.394076546321812 2387972 COC1=CC=CC=C1OCCC(=O)OCC(=O)NCC2=CC=CC=C2 1 2.395 1 5 -17.5601249466686 2387951 C1=CC(=CC=C1C(=O)CSC2=NC=NN2)OC(F)F 1 2.734 3 2 -5.10405217151345 2387945 CCOC1=CC=C(C=C1)NC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)CC 1 3.017 2 4 -8.93507853775866 2387934 CC1=NN(C(=C1C=O)N2CCCC2)C3=CC=CC=C3 1 2.846 3 1 0.892038624459243 2387915 CC1=CC(=CC(=C1)NC(=S)NC2=CC=CC=C2SC)C 1 5.88 2 0 -9.7856205088683 2387897 CC1=C(C(=CC=C1)C)NC(=S)N(C)CCC2=CC=CC=N2 1 4.916 3 0 -8.30033119616126 2387851 C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CC=C(C=C3)O 1 4.425 1 4 -6.52472592772318 2387848 C1COCCN1CCNC(=S)NC2=C(C(=C(C=C2)F)F)F 1 2.955 3 1 -9.62009163426722 2387818 CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)O)C 1 3.644 2 6 0 -10.3243956732758 2387789 CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F)[N+](=O)[O-] 1 2.567 3 7 0 -16.1214440270138 2387764 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC=C(C=C2)O)C 1 2.92 1 6 0 -9.66380343594701 2387751 CC1=C(C(=CC=C1)C)NC(=S)NN=CC2=C(C=CC=C2Cl)Cl 1 6.387 3 0 -7.12187063196223 2387732 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)C 1 3.371 1 7 0 -7.72022366937165 2387703 CC1=CC=CC=C1NC(=O)/C(=C/C2=CC=CC=C2C(F)(F)F)/C#N 1 4.35 2 1 -12.9836305337617 2387679 CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC=NN3)C 1 1.606 5 1 0 -14.7602802788941 2387668 COC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F 1 3.11 1 5 -7.34738601039543 2387667 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F)O 1 2.885 1 5 -3.96520949090125 2387645 C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC(=O)NC4=CC=CC=C43 1 1.749 2 5 0 -13.3805408986358 2387640 COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=CC=CC=C5S4 1 5.324 3 4 0 -8.62943150983705 2387613 C1=CC(=C(C=C1NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3)F)F 1 2.109 4 2 -10.1209201033739 2387611 COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CNC2=O 1 -0.463 3 5 0 -12.9019926599842 2387601 COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F)OC 1 3.094 1 6 0 -5.83632179060315 2387590 CCOC(=O)NN=CC1=C2C=CC=CN2C(=C1C)C(=O)C3=CC=C(C=C3)F 1 4.23 3 3 -6.99963907684451 2387574 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=C(C=CC(=C3)Cl)OC 1 3.333 2 4 -7.47681683196781 2387558 C1=CC(=CC=C1CNC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)F 1 4.267 1 4 -12.7562845062569 2387543 C1=CC(=CC=C1CC(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F)Cl 1 3.826 1 4 -4.50599097530517 2387529 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 1.806 2 6 0 -25.0070204691696 2387516 COC1=CC=CC(=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 4.009 3 2 -5.01666326878221 2387480 COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2OC(F)F 1 2.877 2 8 0 -14.4116007002504 2387468 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC=CC=C3F 1 2.111 2 4 -21.2367303657848 2387463 CC(=O)OCC(=O)NC1=CC=CC=C1OC(F)F 1 1.463 1 4 0 -7.7676086807524 2387457 C1CCC(CC1)NC(=O)COC(=O)C2=C(C=CC=C2Cl)Cl 1 3.932 1 3 -11.2199968194147 2387444 C1CCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2Cl)F)F 1 2.487 1 3 -7.94943284607749 2387424 CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.619 5 3 0 -15.8039261364328 2387418 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)OC 1 3.417 5 4 0 -18.0444500878308 2387412 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.309 3 7 0 -18.4221308915983 2387398 CC(C)NC(=S)NN=CC1=CC=C(C=C1)C(C)(C)C 1 4.358 3 0 -6.92261569159115 2387389 C1CCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl 1 2.824 1 3 -7.53405879528328 2387385 C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 1.493 2 5 0 -14.4238615812986 2387379 CCC1=CC=C(C=C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 3.239 2 4 -12.5149265624942 2387371 CC(=O)OCC(=O)NC1=CC=C(C=C1)SC(F)F 1 2.021 1 3 -7.05187180229805 2387367 C1CCN(CC1)N=C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.735 3 2 2.91967816167497 2387296 COC1=C(C=C(C=C1)C(=O)OCC(=O)N)[N+](=O)[O-] 1 0.417 2 6 0 -13.2376609883367 2387287 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.422 2 5 0 -10.1559822587859 2387252 CC1=CC(=NC(=N1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)F)O)C 1 2.731 4 2 1.9991358746191 2387232 CC1=C(C(=CC=C1)NC(=O)C2=C(SC(=C2N)C(=O)C3=CC=C(C=C3)OC)NC4=CC(=CC=C4)OC)C 1 5.839 3 4 0 -6.34764987018372 2387227 CC1=C(C(=NO1)C)COC2=NC=NC3=CC=CC=C32 1 2.376 3 2 -4.01324865539639 2387212 COC1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NC3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)OC)OC)N 1 4.851 3 5 0 -12.5849562245639 2387196 CC1=NN2C(=CC(=NC2=C1)C(F)(F)F)C3=CC=CS3 1 3.656 3 0 -3.07052599323964 2387166 C1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)NC(=S)S3)CCC(=O)O 1 3.167 3 3 -1.76518051451907 2387137 CC(C)N1CC(=O)C(=C1N)C2=NC(=O)C3=CC=CC=C3N2 1 0.867 4 2 0 -11.2038728121513 2387118 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C)C 1 0.891 5 1 0 -8.81754023079205 2387114 COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NN)C3=CC=CC=C3 1 2.788 4 2 2.14486816905506 2387105 CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2C3CCCC3 1 4.904 3 0 -1.84941545115968 2387099 COC1=CC=C(C=C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 3.72 1 5 -11.8188938897905 2387036 COC1=CC=C(C=C1)C(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=N3 1 3.589 3 2 -8.15598102456592 2387018 CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CCl 1 4.411 1 1 0.834022456239698 2386969 CC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1CC=C 1 3.135 2 3 -18.2826735842514 2386933 CC1=CC=C(C=C1)C(=O)OCC(=O)NC(=O)C2=CC=CN2C 1 2.27 2 4 -9.61440024650066 2386881 CCO/C=C\1/C2=CC=CC=C2C(=O)N(C1=O)C3=CC=C(C=C3)OCC 1 3.006 1 4 -5.35618761313453 2386874 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)OC 1 2.354 2 5 0 -16.7787129206675 2386871 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)N 1 1.706 2 3 0 -9.61740299956271 2386868 CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)F)F 1 2.472 1 4 -8.97991120203714 2386862 C1CC1NC(=O)COC(=O)/C=C/C2=CC=CS2 1 1.656 1 3 0 -10.9506631130045 2386859 C1=CC=C2C(=C1)N=NN2CC(=O)OCC(=O)NC3=CC=CC=C3Br 1 2.732 4 3 0 -15.4846109131661 2386850 C1=CC(=C(N=C1)Cl)C(=O)OCC2=CC=C(C=C2)C#N 1 2.87 2 2 -4.75383261541603 2386849 CC(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)OC 1 1.305 1 4 0 -6.49264635666124 2386841 CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC=CC=C2 1 3.394 2 3 -15.7984259428234 2386830 CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)N(C)C2=CC=CC=C2 1 2.689 2 3 -12.2065922759602 2386829 COC1=NC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 2.405 2 5 0 -9.61869598779686 2386790 CC1=C(C=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C 1 3.043 2 4 -8.49048310358995 2386764 CC1=C(SC=C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.536 1 5 -17.1516337615885 2386763 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3 1 2.775 2 4 -10.4933845617001 2386759 C1=CC(=CC(=C1)C(F)(F)F)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 3.935 1 3 -7.94968252146544 2386727 CN(C1=CC=CC=C1)C2=CC=C(C=C2)C=NN3CCOCC3 1 3.007 3 1 0.269747948432827 2386725 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CO3 1 1.088 2 6 0 -28.272821250427 2386723 CC1=NC=C(N=C1)C(=O)NC2=CC=CC=C2F 1 1.23 3 1 0 -10.9140644696042 2386710 CCC1=NN=C(S1)NC(=O)/C=C/C2=CC=CS2 1 2.437 3 1 -13.6626614994685 2386708 C1CSC(=N1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl 1 4.125 2 1 -5.67629903286155 2386629 C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)C3=CC=CO3 1 3.12 2 2 -2.716186580055 2386623 C1=CSC(=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 2.947 2 4 -11.1804558303278 2386604 C1=CC(=C(N=C1)Cl)C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 2.762 3 3 -4.4378280362157 2386590 COC1=CC=CC=C1OCCC(=O)OCC(=O)NC2=CC=C(C=C2)Br 1 3.137 1 5 -12.2672350164808 2386516 CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)CC3=CC=CC=C3)C 1 2.653 2 3 -11.8414436852591 2386496 CCOC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.649 2 4 -3.55456505378674 2386469 C1=CC(=C(C=C1Cl)SCC(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl 1 5.039 2 3 -3.61134059588724 2386457 C1=C(C=NC(=C1Cl)NC(=O)CSC2=NNC(=N2)N)C(F)(F)F 1 2.079 6 1 0 -1.52504520923646 2386422 C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=CO5 1 5.247 4 1 -5.31164889155466 2386389 CC1=CC(=CC(=C1)NC(=S)NCC2=CC=NC=C2)C 1 3.917 3 0 -7.8207498902184 2386384 COC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC)OC 1 4.665 2 6 0 -14.7530436983756 2386342 COC1=CC=C(C=C1)OCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC 1 2.003 1 7 0 -16.249647588184 2386327 C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)/C=C/C4=CC(=CC=C4)Cl 1 4.67 4 1 -5.09032235209045 2386323 C1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3 1 2.877 2 5 0 -18.2532564007844 2386312 C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)/C=C/C4=CC=CC=C4Cl 1 4.67 4 1 -6.34025543173959 2386279 CCOC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F 1 3.459 1 5 -7.72808422207298 2386274 C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)/C=C/C4=C(C=C(C=C4)Cl)Cl 1 5.334 4 1 -4.11274579226361 2386270 COC1=CC(=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)C3=NN=C4N3CCCCC4)OC 1 3.973 4 3 0 -8.29130751871166 2386238 C1=CC=C(C(=C1)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F)[N+](=O)[O-] 1 3.489 2 6 0 -4.27842137291913 2386225 C1=CC(=CC=C1C2=NN=C(O2)COC(=O)C3=CC(=CN=C3)Br)Br 1 3.107 3 3 -7.43730970006205 2386223 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC(=C(C=C3)OC)OC 1 2.652 2 5 0 -13.0514038818356 2386179 CC(C)CN(CC(C)C)C(=S)NC1=CC=C(C=C1)Cl 1 6.096 2 0 -8.0799326876195 2386169 C1=CC(=C(C(=C1)Cl)Cl)NC(=O)CC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 4.573 2 2 -3.27613783739843 2386166 COC1=C(C=C(C=C1)Cl)NC(=O)CC(=O)NC2=C(C=CC(=C2)Cl)OC 1 3.211 2 4 -3.57029224709479 2386152 CCCCN1C(=C(C(=O)NC1=O)Br)N 1 0.756 3 2 0 -4.93664508702991 2386123 CC1=CC=C(C=C1)C(=O)CC2=NC3=CC=CC=C3N2 1 3.677 2 1 -1.25355972735872 2386105 C1COCCN1C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 1.797 2 5 0 -8.58270089238508 2386088 CC1=CC=C(C=C1)N(CC#N)C(=O)CS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 2.309 3 5 0 -14.8523722495506 2386079 C1=CC=C(C(=C1)S(=O)(=O)CCC(=O)O)Cl 1 1.75 0 4 0 -12.8586543684329 2386030 C1=CC(=CC=C1CSC2=NNC(=O)NC2=O)C(=O)NN 1 -0.137 5 3 0 -21.6555060835091 2386027 C1CCN(CC1)C2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl 1 2.591 5 1 -3.26418253215444 2386022 COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3 1 4.048 1 5 -11.9845887914104 2386013 COC(=O)CCC1=NC2=C(C=CC(=C2)Cl)N(C1=O)CC3=CC=CC=C3 1 3.358 2 3 -8.82954829985414 2386011 COC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl)OC 1 3.041 2 5 0 -8.86412107049682 2386010 CC1(C(=O)N(C(=O)N1)CC(=O)O)C 1 -0.677 2 4 0 -11.5292734733345 2386008 C1=CC=C(C=C1)C2=NC(=CS2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 2.994 3 3 -3.21758426931705 2386003 C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 2.77 1 4 -16.9130606034885 2385998 C1=COC(=C1)C2=C(SC(=N2)NC(=O)CCl)C3=CC=CO3 1 3.027 2 3 -2.94042709814033 2385990 CN(CCC1=CC=CC=N1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC 1 1.456 2 5 0 -11.4582897224112 2385988 C1CN(CCN1CCC(=O)NN)C(C2=CC=CC=C2)C3=CC=CC=C3 1 2.083 4 1 -6.53877483412284 2385985 COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC 1 1.809 2 8 0 -10.7395867611625 2385983 CN(C1=CC=C(C=C1)OCC(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.897 1 5 -11.7901886110374 2385977 C1=CC=C(C=C1)CN(C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 4.401 1 4 -13.8158930412222 2385968 C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C(=O)O 1 2.749 0 4 -4.87370656214633 2385964 COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCC3=CC=CC=C32 1 2.667 1 5 -17.3604553382507 2385961 C1COCCN1C2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl 1 1.362 5 2 0 -4.8532686548672 2385952 C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C(C2=O)CCC(=O)O 1 3.132 2 3 -6.85230173140856 2385950 COC1=C(C=C(C=C1)C(=O)NCCN2C(=O)/C(=C/C3=CN=CC=C3)/SC2=O)[N+](=O)[O-] 1 1.732 4 6 0 -15.70190264568 2385932 C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)SC(F)F 1 5.28 2 4 -2.13264272479157 2385930 CC(=O)C1=CC(=CC=C1)N2CC3=CC=CC=C3C2=NC(=O)CCl 1 2.891 2 2 -7.05648074751116 2385929 CC(=O)NCCN1C(=O)/C(=C/C2=CC=CS2)/SC1=O 1 1.293 2 3 0 -10.1342201512128 2385914 CCCCOC(=O)C1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 5.21 2 4 -16.2515764868088 2385910 CC1=CC(=C(C(=C1)C)C(=O)CSC2=C(C(=CC(=N2)C)C)C(=O)N)C 1 4.245 2 2 -7.32330963769612 2385861 CN1C=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O 1 0.749 4 3 0 -19.9284781013865 2385849 CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=NC=C4 1 4.043 5 3 0 -11.9012960712683 2385829 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(C=C2)C#N)F 1 2.767 3 1 -8.70913707606781 2385808 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5 1 3.082 5 3 0 -10.6431540715229 2385792 C1=CC=C(C=C1)C(CC(=O)OCC(=O)NC2=CC(=CC=C2)F)C3=CC=CC=C3 1 4.302 1 3 -9.65177027875362 2385765 CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3OC)N)Cl)C4=CC=CC=C41 1 4.271 3 4 0 -5.98793517097501 2385758 COC1=NC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 3.515 3 3 -6.32626475269096 2385732 C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F)NC(=O)C3=CC=CS3 1 4.317 2 4 -16.0672918490971 2385730 CC1=CSC(=NC)N1N=CC2=CC3=C(C=C2)OCO3 1 2.189 3 2 -5.96584645087432 2385728 CC1=CC(=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC(=CC(=C2)C)C)Br 1 3.588 2 4 -16.1940403546572 2385652 C1=COC(=C1)C(=O)NCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=O 1 2.353 2 4 -10.8456031122038 2385619 CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 4.353 1 6 0 -15.3410954419164 2385614 C1=CC(=CC=C1COC(=O)C2=CC(=C(N=C2)Cl)Cl)C#N 1 3.535 2 2 -6.17820686012608 2385612 CN1C=NN=C1SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.5e-002 5 3 0 -20.0043141137321 2385611 C1=CC=C(C=C1)SCCC(=O)OCC(=O)NCC2=CC=C(C=C2)F 1 3.175 1 3 -12.4368080973164 2385601 CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl)C 1 4.904 5 1 -4.22294255394737 2385598 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCC(=O)NC4=C(C=C(C=N4)C(F)(F)F)Cl 1 5.133 2 3 -0.394633474403643 2385596 C1=CC=C2C(=C1)C=CC=C2C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.225 2 3 -6.7310959187463e-002 2385534 CCOC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC 1 5.031 2 5 0 -13.9748404068413 2385513 C1=CC(=CC(=C1)OC(F)F)C(=O)NCCN2C(=O)/C(=C/C3=CN=CC=C3)/SC2=O 1 2.659 3 4 0 -10.1346303065312 2385505 COC1=CC=CC=C1CNC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.221 1 5 -21.6628074839974 2385463 COC1=CC=CC=C1OCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 2.857 2 5 0 -8.72982984912496 2385440 COC1=CC=CC=C1CNC(=O)COC(=O)CC2=CC=CS2 1 2.3 1 4 -17.1842620490685 2385410 C1=CSC(=C1)/C=C(\C2=CC=CS2)/C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.88 2 5 0 -14.2828095119425 2385407 C1=COC(=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)F)F 1 3.046 2 2 -0.891265304275925 2385333 CN(C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=C(C(=C(C(=C2F)F)F)F)F)S(=O)(=O)C3=CC=C(C=C3)F 1 4.083 2 6 0 -15.2209061699776 2385326 CC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3(CCCCCCC3)NC2=O 1 2.262 3 4 0 -13.0502100077552 2385325 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NCC3=CC=CC=C3 1 2.957 2 4 -21.9698495075242 2385323 CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)C 1 3.31 4 1 -5.09601137918224 2385273 C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CN4N=C(N=N4)C5=CC=CC=C5 1 3.325 6 1 0 -2.18354861660997 2385262 C1=CC=C(C=C1)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)NC(=O)N)Cl 1 3.925 3 6 0 -15.5785783944718 2385259 CN(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 1.606 3 5 0 -12.7226080923825 2385257 CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3 1 6.215 2 3 -3.95915329031195 2385238 COC1=CC=CC=C1CNC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 1.383 3 6 0 -16.0919699296372 2385176 C1=CC=C(C(=C1)C(=O)OCC(=O)NC(=O)N)OCC2=CC=C(C=C2)F 1 2.091 2 5 0 -8.07646697569833 2385170 C1=CC=C(C(=C1)CSC2=C(C=CC=N2)C(=O)O)C#N 1 2.852 2 2 -11.9599578284237 2385130 CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3 1 4.358 2 3 -8.37442923885913 2385100 CCN1CCN(CC1)CC(=O)C2=CC=C(C=C2)C 1 2.368 2 1 -2.9065130966209 2385098 CC1=CC(=C(C=C1)C=NNC(=O)CCN2C(=CC(=N2)C)C)C 1 2.833 4 1 -13.1649310922899 2385059 C1=CC=C(C(=C1)C(=O)O)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 4.708 1 3 -5.20840887814042 2385056 C1=CC=C(C=C1)C=NNC(=O)CC2=NC3=CC=CC=C3N2 1 2.64 4 1 -4.55700504114199 2385052 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)N5CCOCC5 1 4.785 4 3 0 -22.0876574926566 2385040 CCCCCCN1CC(=O)C(=C1N)C2=CC=CC=C2 1 3.236 2 1 -6.48700842842528 2385034 CCOC(=O)C1=C(N(C(=O)C1)C2=CC=CC=C2OC3=CC=CC=C3)N 1 2.53 2 4 -6.05274710261606 2385006 CCOP(=O)(C1=CC(=C(C(=C1)C)O)C(C)(C)C)OCC 1 3.414 0 4 -0.679092963112525 2384970 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NC(=S)NC3=CC=CC=C3 1 3.509 6 3 0 -22.2200429029791 2384967 COC1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)NC(=S)NC3=CC=CC=C3)OC 1 3.661 5 3 0 -14.9900800729395 2384963 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N3CC(=O)C(=C3N)C4=CC=CC=C4 1 2.502 4 4 0 -10.7941685470628 2384899 CCOC(=O)N1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Cl 1 4.205 4 2 1.49210660040678 2384869 CC1=CC=CC=C1NC2=NCCCS2 1 2.779 2 0 -6.05707722645981 2384813 CC(C)(C(=O)OCC(=O)NC1=C(C=C(C=N1)Cl)Cl)OC2=CC=C(C=C2)Cl 1 4.334 2 4 -5.27152913278456e-002 2384847 C1OC2=C(O1)C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 2.496 1 4 -4.32197870541803 2384829 C1COCCN1C2=CC=CC=C2NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl 1 2.461 2 5 0 -7.40165651881269 2384826 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N)Cl 1 1.325 2 2 0 -10.3148533775224 2384821 CCN(C1CCCCC1)C(=O)COC(=O)C2=C(N=CC=C2)SC 1 3.088 2 3 -15.9645554669885 2384818 CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=C(C=CC=C3F)F)C 1 3.029 2 3 -10.380217140073 2384771 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl 1 2.375 2 4 -16.0158293289455 2384745 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)/C=C/C3=CC4=C(C=C3)OCO4 1 2.135 2 7 0 -21.1286967980194 2384734 COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)N 1 2.079 3 2 -11.0879710448189 2384731 COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3 1 3.183 2 4 -7.09792741349169 2384728 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC(CC3)C(=O)N 1 0.296 3 4 0 -18.9045503728603 2384727 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3 1 3.183 2 4 -3.48081730444568 2384720 C1=CC(=CC=C1CC(=O)NNC2=C(C(=CC(=C2F)F)F)F)Cl 1 4.158 2 1 -0.986409645671754 2384714 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 1.757 3 2 0 -6.73968534119873 2384712 C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)Br 1 4.36 1 0 6.63792872399341 2384674 C=CCSC1=NN2CCS(=O)(=O)N=C2S1 1 1.446 3 2 0 -9.82659088610763 2384672 CCOC(=O)CSC1=NN2CCS(=O)(=O)N=C2S1 1 0.886 3 4 0 -15.0707154481516 2384641 CC1=CC=C(C=C1)N(CCC(=O)O)S(=O)(=O)C2=CC=CC=C2 1 2.739 1 4 -11.5950877578419 2384634 C1=CC(=CN=C1)C2=NC(=C(S2)C3=CC=C(C=C3)Br)CC(=O)O 1 3.711 2 2 2.43716268533742 2384617 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCNCC2 1 1.34 2 2 0 -12.694581392223 2384590 C1=CC=C(C(=C1)NC(=O)CCl)SC2=CC=C(C=C2)Cl 1 4.265 1 1 -2.99002721037401 2384587 CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)O 1 3.994 1 2 -1.36999993846908 2384580 CCSC1=NN2CCS(=O)(=O)N=C2S1 1 1.179 3 2 0 -7.84178214520754 2384579 CC1=C(C2=NS(=O)(=O)CCN2C=C1Cl)Cl 1 0.719 2 2 0 -2.05851837673438 2384577 C1CS(=O)(=O)N=C2N1C=C(C=C2Cl)Cl 1 -0.373 2 2 0 -3.44550619964568 2384573 CC1=CC(=C(C(=C1)C)C2=CSC3=NS(=O)(=O)CCN23)C 1 2.863 2 2 -6.54521423641269 2384564 CC1=C(C=C(C=C1)NC2=NCCCS2)Cl 1 3.443 2 0 -6.34877457803439 2384556 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C4=NNC(=S)O4 1 3.954 4 1 -2.42370154082872 2384543 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN 1 0.547 4 3 0 -20.158462022775 2384539 CC(C)C1=CC=CC=C1NC2=NCCCS2 1 3.487 2 0 -6.71351139137246 2384538 C1=CC=C2C(=C1)N=C3N2C(=O)C=C(N3)CCl 1 1.878 3 1 0 -4.44959123411269 2384537 CC(=O)C1=CC=C(C=C1)NC2=NCCCS2 1 2.033 2 1 -12.2067305187924 2384492 C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C(C2=O)CCC(=O)O 1 3.41 2 3 -5.00763882301178 2384466 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)O 1 1.662 2 6 0 -13.6001420625422 2384457 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)NC2=NC3=CC=CC=C3S2 1 2.767 4 3 0 -6.42283149968156 2384448 COC1=CC(=NC(=N1)NC(=O)CCl)OC 1 1.27 3 3 0 -8.94118218375464 2384422 CCCN1C(=C(C(=O)NC1=O)Br)N 1 0.299 3 2 0 -5.02499720801971 2384408 C1=CC=C(C=C1)S(=O)(=O)CC2=NC3=CC=CC=C3S2 1 3.216 1 2 -4.87400462384604 2384405 CCC1=C(C(=NC2=CC=CC=C2N1)N)C(=O)OCC 1 1.85 3 2 0 -10.2523174049778 2384336 CC1=CC=C(C=C1)C2=C(N=C(S2)C3=CN=CC=C3)CC(=O)O 1 3.449 2 2 2.07182373985204 2384333 CCCCN1C(=C(C(=O)NC1=O)NCC(C)C)N 1 0.73 4 2 0 -8.6205490241835 2384328 C1=CC=C2C(=C1)NC(=N2)N3C(=O)C(=C(C=N3)NCCCO)Cl 1 0.661 5 2 0 1.10591986840511 2384307 CC1=C2C(=NC(=NC2=O)C(F)(F)F)N(N1)CCC#N 1 0.386 5 1 0 -6.7853841905973 2384303 CC1=C2C(=NC(=NC2=O)C(Cl)(Cl)Cl)N(N1)C3=C(C=CC(=C3)C(F)(F)F)Cl 1 4.181 4 1 0.551251640583826 2384301 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=NC3=CC=CC=C3NC2=S 1 3.526 3 2 -9.6693819449671 2384299 COC1=CC=C(C=C1)C2=NC3=C4C=CC=CC4=NC(=O)N3N2 1 2.212 4 2 -2.69337103735129 2384284 CCCC1=CC=C(C=C1)C2=CC(=NN2)N 1 3.274 3 0 6.15082994105672 2384257 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCCN(CC2)C)C)C 1 2.911 2 2 -9.51655553342822 2384253 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CCl)C(=O)OCC)C 1 2.362 2 4 -21.1174446092592 2384236 C1=CC=C(C=C1)CCN(CCC2=CC=CC=C2)C(=O)CCl 1 3.921 1 1 -6.1571786746695 2384232 CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)O)C 1 4.031 2 2 -5.41357091072222 2384192 CC1=C(C=C(C=C1)N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C)C 1 3.58 2 5 0 -24.795632495931 2384174 CCOC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)N3CCCC3)C)/C#N 1 4.363 3 2 -9.48096934644398 2384172 CC(=O)N1CC(=O)N(C1=S)CC(=O)NC2=CC=C(C=C2)Br 1 1.319 3 3 0 -10.4994284875398 2384167 CC1=C(SC(=N1)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3 1 3.462 2 2 1.58384380701073 2384164 COC1=CC=C(C=C1)C2=C(SC(=N2)NC3CCCCC3)CCC(=O)OC 1 4.168 2 3 -7.49199049504232 2384133 CSC1=CC=C(C=C1)C=NNC(=O)COC2=C(C=C(C=C2)Br)Cl 1 4.473 2 2 -1.00850721175683 2384111 CCC(=O)NC1=C(SC(=S)N1CC)C(=O)OCC 1 2.677 2 3 -8.54773648071278 2384045 CC1=C(SC(=C1CN2CCN(CC2)CC3=CC=CC=C3)NC(=O)C)C 1 2.983 3 1 -1.94529394282645 2383949 CCOC(=O)C(=NNC1=CC(=CC(=C1)C(=O)O)C(=O)O)C(=O)CCl 1 1.773 2 7 0 -4.99945994627381 2383907 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2Cl 1 3.018 2 4 -16.2639655285535 2383880 C1=CC=C(C=C1)C(=O)C(=NNC2=C(C=CC=C2Cl)Cl)C(=O)NC3=CN=CC=C3 1 4.414 4 2 -4.25053959852204 2383795 CC1=CC(=C(C=C1)NC(=S)NN=CC2=CC=C(C=C2)OCCC(C)C)C 1 6.622 3 1 -9.70757225017221 2383778 CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC4 1 3.872 3 3 -22.9899204568359 2383751 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NN=C4N3C=CC=C4 1 3.011 4 2 -12.2554735759637 2383742 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NCCC3=CC=CC=C3 1 3.278 2 4 -21.3782959956585 2383729 CC1=CC=C(C=C1)C2=CSC3=NNC(=S)N23 1 3.094 3 0 -5.73286038363622 2383728 C1=CC(=CC(=C1)O)/C=C(/C#N)\C(=O)NCC2=CC=C(C=C2)Cl 1 3.35 2 2 -7.42156211546214 2383718 CC1=C(C=C(C=C1)NC(=O)CC(=O)C2=CC=CC=C2)C 1 3.507 1 2 -3.05337322126704 2383716 C1COCCN1C2=CC(=C(C=C2)C(=O)NCC(=O)O)[N+](=O)[O-] 1 0.263 3 6 0 -12.9156516932604 2383636 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 2.701 2 5 0 -11.1365596933611 2383608 COC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC(=O)NC3=CC=CC(=C3)C#N)C4=CC=CC=C4 1 4.825 4 4 0 4.2288186014678 2383579 C1=CC=C2C(=C1)N3C(=NN=C3SCC(=O)N)S2 1 1.901 4 1 0 -10.8334529980832 2383570 C1=CC=C(C=C1)N2C(=NN=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O 1 3.123 5 2 0 -17.4423668727502 2383529 CC1=C(SC2=C1C3=NN=C(N3C=N2)C)C 1 1.645 4 0 0 -4.53362338226622 2383483 C1CCC(=CC1)CCNC(=O)COC2=NC=NC3=CC=CC=C32 1 3.298 3 2 -8.98958844448143 2383474 CC1CCN(CC1)C(=O)COC2=NC=NC3=CC=CC=C32 1 2.345 3 2 -6.73707665210527 2383466 COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 3.732 3 6 0 -18.1730296694923 2383452 CC1=NC=C(N=C1)C(=O)NC2=CC=C(C=C2)C(C)C 1 2.218 3 1 -9.46606342071634 2383446 CC(C)[C@@H](C(=O)OCC(=O)C1=CC=C(C=C1)F)NC(=O)C2=CC(=CC(=C2)OC)OC 1 3.501 1 6 0 -22.9454321375097 2383405 CNC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3F 1 3.578 4 1 -16.5440509750935 2383396 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=NC=NN3 1 1.824 5 4 0 -17.8749436702956 2383374 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5 1 3.365 3 3 -7.80100670785874 2383361 C1COCCN1C(=O)COC2=NC=NC3=CC=CC=C32 1 0.864 3 3 0 -5.61626349797644 2383360 C1=CC=C2C(=C1)C(=NC=N2)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.106 4 4 0 -3.57340245354707 2383355 C(=NNC(=O)N)C1=C(C(=C(C(=C1F)F)F)F)F 1 1.836 3 1 0 -3.76308778824758 2383337 C1COC2=C(O1)C=CC(=C2)C(=O)COC3=NC=NC4=CC=CC=C43 1 2.952 2 4 -4.71345994341451 2383327 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC2=NC=NC3=CC=CC=C32 1 3.519 3 6 0 -14.7715585852549 2383317 CNC(=O)CSC1=NC2=NN(C(=O)C2=C3N1CCCCC3)C4=CC=CC=C4 1 2.265 5 2 0 -20.665222768771 2383275 COC1=CC=C(C=C1)CCNC(=O)COC2=NC=NC3=CC=CC=C32 1 2.859 3 3 -5.84405940125675 2383242 COC1=CC=CC=C1NC(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 2.633 2 4 -12.4505325180484 2383206 C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)NCC3=CC=CO3 1 3.157 1 3 -9.0930206731493 2383168 C1=CC=C2C(=C1)C(=NC=N2)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F 1 2.647 4 4 0 -3.90875948420153 2383159 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC2=NC=NC3=CC=CC=C32 1 3.169 3 4 0 -11.2765737347971 2383149 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NNC(=S)N3CC4=CC=CC=C4 1 2.49 4 3 0 -16.8302487319172 2383146 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=NNC(=S)N3CC4=CC=CC=C4 1 4.156 4 3 0 -4.01894990165294 2383141 C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=CS3 1 3.638 3 0 -4.11269179972342 2383120 COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 3.491 1 6 0 -5.1582550322894 2383099 CC1=C(C=CC(=C1)Cl)OCC2=NNC(=S)N2C3CCCCC3 1 4.946 3 1 -3.1342932929381 2383068 C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NNC(=N4)N 1 2.585 4 1 -1.02714912972536 2383064 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)/C=C/C3=CC=CS3 1 3.687 2 3 -3.80238246330982 2383061 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=CC(=C(C=C2)OC)Cl)C 1 3.19 2 6 0 -14.0156745972802 2383047 C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=CC=CC=[N+]3[O-] 1 2.767 1 3 6.63116842611419e-002 2382939 CC1=CC=C(C=C1)C2=C(SC(=N2)N)C3=CC=C(C=C3)C 1 4.809 2 0 10.9519549799945 2382936 COC1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CCl)C3=CC=C(C=C3)OC 1 3.885 2 4 -3.10847356932444 2382930 CC1=CC=C(C=C1)C2=NC(=S)NN=C2C3=CC=C(C=C3)C 1 5.21 3 0 -4.43382161598574 2382904 CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N 1 4.292 2 4 -12.7144851031237 2382893 CC(C)[C@@H](C(=O)OCC(=O)N1CCCC2=CC=CC=C21)NC(=O)C3=CC=CC=C3 1 3.445 2 4 -24.7007573698944 2382816 C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC(=O)NC3=CC(=CC(=C3)Cl)Cl)Cl 1 4.528 2 4 -8.01287600974786 2382843 CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=NNC(=S)NC(C)C 1 5.052 4 0 -12.6170245482836 2382787 C1=CC(=C(C(=C1)Cl)CSC2=NN=C(O2)C3=CC=NC=C3)F 1 3.515 3 1 -7.43156533826532 2382784 CCC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)COC2=CC=CC=C2 1 2.778 1 5 -15.7782935609076 2382779 CCCCOC1=CC=C(C=C1)C=NNC(=S)NC2=CC=CC(=C2C)C 1 6.37 3 1 -5.00410471178473 2382757 CCCCOC1=CC=C(C=C1)C=NNC(=S)NC2=C(C=CC(=C2)C)C 1 6.37 3 1 -7.78900566738586 2382755 CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.344 2 2 -5.79720616555052 2382627 C1=CC=C(C(=C1)SCCC(=O)OCC(=O)NCC2=CC=CO2)Cl 1 2.816 1 4 -17.2326114709776 2382582 COC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=C(N=CC=C2)Cl)OC 1 2.046 2 5 0 -13.4253461557119 2382578 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=C3CN(CCC3=NC4=CC=CC=C42)CC5=CC=CC=C5 1 3.502 4 4 0 -9.52812495765332 2382570 CCN(C1=CC=CC2=CC=CC=C21)C(=S)NCCOC 1 3.992 2 1 -12.165778703489 2382554 C1=CC(=CC=C1C2=NN=C(O2)SCC(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl)Cl 1 4.549 3 4 0 -12.5600284565456 2382545 CC1=CC=C(C=C1)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 2.969 2 3 -9.44674924533773 2382529 C1=CC=C(C=C1)COC(=O)N[C@@H](CCC(=O)N)C(=O)OCC2=CC=C(C=C2)Cl 1 3.114 2 5 0 -10.1423513487878 2382526 CC1=CC(=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 1 4.763 2 3 -9.66763731757246 2382522 CC(C)C1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 5.551 3 2 -7.10667963378219 2382503 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)Cl)C 1 3.269 2 3 -13.8908847261738 2382466 CCOC(=S)SCC(=O)NC1=NC(=CS1)C2=CC=CC=C2 1 4.05 2 2 -4.46035039097652 2382426 CC1=C(C(=O)N(C(=C1C=O)Cl)C)C#N 1 0.795 2 2 0 -1.15930968052697 2382424 CC(=O)NC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2 1 2.048 3 2 -16.122627415866 2382418 CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)/C=C/C2=C(C=CC(=C2)OC)OC 1 2.496 1 6 0 -9.05668269952475 2382415 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)NCC3=CC=CC=C3Cl 1 2.709 3 4 0 -16.0272318369681 2382395 COC(=O)C1=CC2=C(C=C1)SC(=NS2(=O)=O)NCC3=CC=CO3 1 2.354 2 5 0 -8.24385796754699 2382353 COC1=CC=C(C=C1)NC(=O)C2=C(SC(=C2N)C(=O)C3=CC=C(C=C3)F)NC4=CC=CC=C4 1 5.089 3 3 -6.7117332989752 2382329 CCCCN1C2=CC=CC=C2/C(=C(\C#N)/C(=O)N3CCCC3)/C1=O 1 2.461 3 2 -8.7682704907533 2382321 CC(C)NC(=O)C1=CC(=NN1C2=CC=C(C=C2)Cl)C3=CC=CO3 1 4.288 3 2 -2.19354879296447 2382304 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCC3=NC4=CC=CC=C4N3 1 2.36 3 3 -13.7208389563016 2382234 COCCNC(=S)NN=CC1=CC=C(C=C1)N2CCOCC2 1 1.95 4 2 0 -11.8329080186812 2382208 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC 1 2.514 3 5 0 -19.8250734267843 2382201 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=C(C=C(C=C3)OC)OC 1 2.917 2 6 0 -21.9884871857978 2382157 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC(=CC(=N5)C)C 1 5.029 5 3 0 -11.8375437492427 2382145 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)N=CC4=CC=NC=C4 1 1.802 6 1 0 -1.56593713401591 2382134 CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=NNC(=S)NCC=C 1 4.942 4 0 -12.9922968149856 2382096 CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=CC=C(C=C2)Br 1 3.421 2 3 -10.8628906827615 2382083 CCNC(=S)NNC(=O)CSC1=NC2=CC=CC=C2N1 1 2.219 5 1 -11.9270408575349 2382077 C1CCC2=C(N=C(N2CC1)C3=CC=CC=C3)C(=O)NN=CC4=CC=NC=C4 1 3.292 5 1 -5.65049156160289 2382051 C1=COC(=C1)C(=O)CSCC2=CC=C(C=C2)Cl 1 3.694 0 2 -4.12722871687439 2382050 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC(=CS3)COC4=CC=CC=C4 1 2.689 3 5 0 -24.2591196920212 2382049 C1=COC(=C1)C(=O)CSCCSCC(=O)C2=CC=CO2 1 2.711 0 4 -4.75345129120219 2382030 C1=CC(=NC(=C1)NC(=S)NC(=O)C2=CC=CO2)NC(=S)NC(=O)C3=CC=CO3 1 3.947 5 4 0 -6.15670299996422 2382010 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)C 1 1.434 3 4 0 -9.47583949080405 2381986 CC(C)(C)C(=O)COC(=O)C1=C(N=CC=C1)SC 1 2.744 1 3 -14.5875314967802 2381956 CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC#N)C)C3=CC=CO3 1 2.535 4 3 0 -7.65503511320637 2381938 C1CCC(C1)NC(=O)COC(=O)C2=CC=CC=C2Br 1 2.895 1 3 -10.5944985555905 2381911 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NCC2=CC=CC=C2Cl 1 3.283 2 4 -16.4669722352183 2381783 C1CN(CCC1C(=O)N)C(=O)/C(=C/C2=CC=CC=C2)/C#N 1 1.025 3 2 0 -11.0713328991747 2381808 C1CCC(CC1)NC(=S)NCCNCC2=CC=CC=C2 1 3.702 3 0 -10.1973842831604 2381830 C1=CSC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 2.97 2 6 0 -8.81233510302623 2381819 C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(C=C2)Br 1 3.398 1 3 -11.9928092186027 2381750 C1CCCN(CC1)C(=O)COC(=O)C2=CC=CS2 1 2.277 1 3 -11.9144306958976 2381692 C1CC2=NN=C(N2C1)COC3=CC=CC(=C3)C(F)(F)F 1 2.618 3 1 -3.43790370479537 2381666 C1CCN(C1)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 1 3.195 4 1 4.26167726475792 2381656 C1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 1 3.651 4 1 3.90720875058984 2381644 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)NCC4=CC=NC=C4 1 2.493 5 1 -1.35460233985859 2381602 CN(C1=CC=C(C=C1)OCC(=O)NCCOC)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.344 2 5 0 -18.2906827200655 2381586 C1CCC2=NN=C(N2CC1)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl 1 5.551 4 0 0.57045166030849 2381572 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NNC(=N2)C(F)(F)F 1 1.361 5 3 0 -12.2844210525348 2381565 CN(C)C1=CC=C(C=C1)NC(=O)CN2CCC3=CC=CC=C3C2 1 2.776 3 1 -10.9634277877207 2381560 COC1=NC=C(C=C1)NC(=S)NC2=CC=CC=C2 1 3.738 3 1 -6.43653773049968 2381518 C1=CC(=CC(=C1)C(F)(F)F)C=NNC(=O)N 1 1.751 3 1 0 -0.564357771547568 2381514 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)/C=C/C(=O)OCC(=O)NC4=CC=CC=C4C#N 1 5.506 4 3 0 5.68414921002591 2381508 C1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=C(C=CC(=C2)F)F 1 3.374 1 3 -8.69760669856829 2381484 CN1CC(=O)N(C1=O)CC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 1.216 3 3 0 -9.69879314394838 2381476 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=NNC(=N3)N 1 1.599 6 4 0 -13.1906459926049 2381470 CCCCN1C2=C(C(=CC(=N2)C3=CC=CS3)C(=O)OCC)C(=O)NC1=O 1 3.592 3 4 0 -11.5857092458684 2381457 C1CC2=CC=CC3=C(C=CC1=C23)NC(=O)CN4C(=O)CCC4=O 1 1.559 2 3 0 -10.3160365594099 2381448 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=CC=CC=C3 1 2.801 2 3 -9.49588126640462 2381436 CCOC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C(=O)OCC 1 2.577 2 4 -9.91451108750939 2381428 CC\1(C2=CC=CC=C2N(/C1=C/C(=O)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC)C)C 1 4.525 4 2 -1.34821297985774 2381424 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)CSC3=NN=C(N3CCOC)C4=CC=NC=C4)C)C 1 3.368 5 2 0 -4.42939718460927 2381417 CCN1C2=C3C(=C(C=C2)NC(=O)C(C)(C)C)C=CC=C3C1=O 1 2.914 2 2 -14.6482237804355 2381393 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=CC(=O)C4=CC=CC=C4O3)C 1 2.343 5 3 0 -10.45691595673 2381370 CCNC(=S)NN=CC1=CC(=CC=C1)C=NNC(=S)NCC 1 3.33 6 0 -7.00948490902544 2381366 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)COC4=CC=C(C=C4)C#N 1 3.456 4 4 0 -3.43858535418922 2381362 CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)NCC3=CC=CO3)Cl)Cl 1 3.436 2 3 -9.50102581250391 2381300 CC1=CSC(=NC2=CC=CC=C2)N1CCCN3CCCC3=O 1 2.069 3 1 -17.6946950808968 2381290 C1=COC(=C1)CSCC(=O)C2=CC=C(S2)Cl 1 3.228 0 2 -1.26353516400465 2381273 CC1=CC(=C(C=C1)C)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCCC3)\C(=O)O 1 4.49 1 4 -10.6866010101559 2381260 COCCNC(=O)/C(=C/C1=CC=CC=C1Br)/C#N 1 1.962 2 2 0 -15.5505848307712 2381244 C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/C(=O)O 1 4.077 2 6 0 -13.9966724064102 2381211 C1=CC=C(C=C1)CC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 3.073 2 3 -5.22033809105248 2381190 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)NC2=CC=CC=C2 1 3.145 2 3 -11.2371039052955 2381179 C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 3.53 2 3 -5.90768799056258 2381163 COC1=C(C=C(C=C1)Br)C=NNC(=O)C2=C3CCCCCN3C(=N2)C4=CC=CC=C4 1 5.175 4 2 -3.03686228346521 2381111 C1=CC=C(C(=C1)NC(=S)NN=CC2=CC(=C(C=C2)Cl)Cl)Cl 1 6.079 3 0 -4.1021701114983 2381107 C1=CC=C(C(=C1)NC(=S)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl 1 5.309 4 2 -6.8026213076899 2381106 C1=CC=C(C(=C1)NC(=S)NN=CC2=CC(=CC=C2)F)Cl 1 4.955 3 0 -1.89511670543013 2381087 C1=COC(=C1)/C=C/C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 2.902 2 4 -2.15761683419925 2381082 CC1=CC(=C(C=C1)NC(=O)COC(=O)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC)/SC2=S)Cl 1 4.525 2 5 0 -9.75004373247676 2381081 CC1=NN(C(=C1)NC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O 1 3.643 3 2 -3.60956722937483 2381068 CC1=CC(=O)NC(=C1C#N)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 0.914 5 3 0 -27.3184849536792 2381062 CC1=NN(C2=C1C(=CC(=N2)C3=CN=CC=C3)C(=O)NN=C/C(=C/C4=CC=CC=C4)/C)C5=CC=CC=C5 1 5.043 6 1 0 -7.6030984253053 2381052 CC1=CC=CC(=C1)C=NNC(=O)C2=CC(=NC3=C2C(=NN3C4=CC=CC=C4)C)C5=CN=CC=C5 1 4.723 6 1 0 -4.7038947780977 2381042 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC=CC=C2Cl 1 3.737 1 3 -14.9380322150954 2380976 C1=CC(=C(C=C1Cl)COC(=O)C2=CC=C(O2)[N+](=O)[O-])OC(F)F 1 4.152 1 6 0 1.70081755119544 2381023 CC1=CC=CC=C1OCC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.396 3 4 0 -13.0683373707977 2381017 CN(C)C1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC4=CC=CC=C43 1 5.017 4 1 -6.06922080416386 2381001 C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC4=CC=CC=C43 1 4.854 3 1 -3.08400910563048 2380985 CC1=NN(C2=C1C(=CC(=N2)C3=CN=CC=C3)C(=O)NNC4=NCCC4)C5=CC=CC=C5 1 2.276 7 1 0 -9.09111891465238 2380940 CCOC(=O)C1=CC(=NC2=C1C(=O)NC(=O)N2CCOC)C3=CC4=CC=CC=C4O3 1 2.774 3 6 0 -5.09446638423491 2380888 C1CC1NC(=O)CSC2=NNC(=O)NC2=O 1 -0.682 4 3 0 -25.1965436552499 2380887 COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NNC(=O)NC3=O 1 -0.807 5 7 0 -42.5270861315811 2380880 COCCN1C2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C(=O)NC1=O 1 2.87 3 3 -5.19353579262357 2380869 CCC1=CC=CC=C1OCC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.852 3 4 0 -14.959289232155 2380852 COC1=C(C=C(C=C1)C2=CSC(=N2)CC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5)OC 1 3.484 5 3 0 -4.17989384781364 2380831 CC(=O)C1=CC=C(C=C1)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3 1 2.619 1 6 0 -6.19072557877838 2380830 C1COCCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 1.205 2 4 0 -9.90270050336498 2380828 C1=CC(=CC=C1NC(=O)COC(=O)CC2=C(C=C(C=C2)Cl)Cl)OC(F)F 1 4.49 1 4 -2.70409149334536 2380822 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)Cl 1 2.484 2 4 -23.3751927077991 2380810 COC1=CC=CC=C1CNC(=O)CSC2=CC=C(C=C2)Br 1 3.747 1 2 -10.7457777343097 2380804 C1CN(CCN1C(=O)CSC2=CC=C(C=C2)Br)C(=O)C3=CC=CO3 1 2.662 2 3 -6.32504850249715 2380799 C1CCC2=C(C1)N3C(=O)C(=CN=C3S2)NC(=O)C4=CC=C(C=C4)F 1 2.279 3 2 -11.1612785821117 2380796 C1=CC(=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC=NN3)Cl)Cl 1 2.732 5 3 0 -8.73642870494296 2380790 COC1=CC(=CC(=C1)NC(=O)COC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3)OC 1 3.842 1 5 -8.44255649388747 2380776 CN1C=NN=C1SCC2=CC=C(C=C2)C#N 1 1.945 4 0 0 -15.1830040975769 2380760 COC1=CC(=CC(=C1)NC(=O)COC(=O)/C=C/C2=CC=CC=C2Cl)OC 1 3.421 1 5 -6.94609053807784 2380749 CN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F 1 2.073 4 1 -16.3805820843537 2380739 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC3=C2C=CC=N3)O 1 2.849 3 3 -11.147367157023 2380722 COCCNC(=O)/C(=C/C1=CC=C(C=C1)SC)/C#N 1 1.755 2 2 0 -13.4775036316037 2380702 COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2F)OC 1 2.494 1 5 -11.9246953285729 2380700 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F 1 4.79 3 3 -5.75454521278589 2380699 CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=CC=CC=C2)Cl 1 3.963 1 3 -7.92143364482294 2380656 C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)OCC(=O)C3=CC=CC=C3 1 2.711 1 5 -16.5141108784661 2380645 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.44 2 3 -9.05012284606327 2380628 CC(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=CS3 1 4.697 1 3 -3.63079395575904 2380601 CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-] 1 2.09 3 6 0 -21.0694996879183 2380591 CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)N2CCCCCC2)[N+](=O)[O-] 1 1.764 3 6 0 -20.1949240522582 2380574 CC(C)C1=CC=CC=C1NC(=S)NCC2=NC3=CC=CC=C3N2 1 4.998 4 0 -6.90594637891058 2380549 CC(C)(C)C1=CC(=C(C=C1)OC)NC(=S)NCCN2CCOCC2 1 3.722 3 2 -9.21225837578732 2380525 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O 1 2.824 1 4 -9.28711100472133 2380514 COC1=CC=CC=C1NCCC(=O)O 1 1.352 1 3 0 -7.14681314104284 2380499 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=NNC(=O)C=C3 1 0.472 3 4 0 -14.598649319453 2380472 C1=CC=C(C=C1)CCNC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl 1 3.956 1 3 -10.6267825997925 2380446 CCN1C2=C(C=C(C=C2)NC(=S)N3CCOCC3)C4=CC=CC=C41 1 4.783 3 1 -9.57360412369531 2380414 CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC=C(O2)Br 1 3.404 2 2 -5.45847066297995 2380399 CN(C1=CC=CC=C1)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2Cl 1 2.251 2 4 -14.8659703304529 2380390 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCCO3 1 2.313 1 5 -12.5927491539107 2380304 C1CCC(=NCC1)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.937 3 2 -5.70340522795336 2380295 C1=CC=C(C(=C1)CC(=O)OCC(=O)NC2=C(C=C(C=C2)F)F)F 1 2.973 1 3 -10.2309208590086 2380283 CC1=NN(C(=O)C2=CC=CC=C12)CC3=C(C=CC=C3Cl)F 1 3.493 2 1 -6.56411648944308 2380270 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NN 1 -0.364 3 4 0 -21.3452683159063 2380258 COC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F)OC 1 3.129 1 6 0 -10.6467496458943 2380251 C1CCC(C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)Cl 1 3.237 1 3 -7.36761696854164 2380174 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CC=C2)F 1 2.733 1 3 -8.12307045501282 2380171 C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)OCC(=O)N 1 2.099 1 4 -5.75401756507058 2380164 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.708 2 6 0 -9.14847434435603 2380155 C1=CC=C2C(=C1)C(=NC=N2)OCC(=O)C3=CC=C(C=C3)Cl 1 3.831 2 2 0.866673744195597 2380134 C1CCCC(CC1)NC(=O)COC(=O)C2=CC(=CN=C2)Br 1 2.657 2 3 -12.5488145637454 2380133 C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)CC(=O)O 1 1.612 1 6 0 -9.77160932444356 2380128 C1=COC(=C1)CNC(=O)COC(=O)/C=C/C2=CC=CO2 1 1.373 1 5 0 -12.4956863378925 2380119 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O 1 1.733 1 6 0 -10.1888949810604 2380105 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43 1 2.873 3 3 -9.6602996387029 2380062 CC1=CC=C(C=C1)C2=N/C(=C\N(C)C)/C(=O)O2 1 1.821 2 2 0 -7.40642459504906 2380057 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC(=O)N 1 1.798 1 4 0 -7.02441990898426 2380056 C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)OCC(=O)N 1 2.106 1 4 -8.11014860278563 2380053 CC(C)CNC(=O)COC(=O)CC1=CC(=C(C(=C1)OC)OC)OC 1 1.922 1 6 0 -17.0955717891274 2380052 CC(C)CNC(=O)COC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 3.196 1 4 -12.6292174257439 2380036 C1=CC(=C(C=C1Cl)Cl)C(=O)NC2=CN=C3N(C2=O)C=CS3 1 1.699 3 2 0 -8.65578871335903 2380034 C1=CC=C(C(=C1)C(=O)NC2=CN=C3N(C2=O)C=CS3)Cl 1 1.034 3 2 0 -13.001326382156 2380024 CN1C2=C(C=C(C(=O)O2)NC(=O)C3=CC=CC=C3Cl)C(=O)N(C1=O)C 1 1.264 3 5 0 -14.1733082719702 2380016 CCOC(=O)CCCN1CC(=O)C(=C1N)C2=NC3=CC=CC=C3S2 1 2.111 3 3 -11.0210535952826 2379929 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)OCC(=O)NC3=CC(=CC(=C3)Cl)Cl 1 4.703 2 5 0 -10.7179322127944 2379869 CCN(CC1=CC=CC=C1)C(=O)CSC2=NC(=O)C=C(N2)C 1 2.166 3 2 -24.2585967629591 2379857 COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC5=CC=CC=C5S4 1 5.058 4 3 0 -18.4723067301564 2379848 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 3.405 4 5 0 -3.93948814762427 2379811 C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl)Cl 1 3.45 3 6 0 -13.8508886198977 2379803 CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CSC3=NC=NN3)C 1 2.874 5 3 0 -18.1668324692201 2379777 COC1=CC(=CC(=C1)C(=O)NCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=O)OC 1 2.925 2 5 0 -13.7144069137239 2379774 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.558 3 5 0 -29.2402649348703 2379733 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C 1 4.669 2 4 -7.63906567643895 2379715 C1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=C(C=C(C=C2)F)Cl 1 3.833 1 3 -8.33454567685955 2379693 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)CC2=CC=CS2 1 1.43 2 4 0 -13.8762813848115 2379692 C1=CC2=C(C(=C1)N)C(=O)N(C2=O)C(=O)C3=C(C=CC(=C3)Br)Cl 1 2.977 2 3 -2.89080593152715 2379682 CC1=NC(=NC=C1)SCC2=NC3=CC=CC=C3S2 1 3.257 3 0 -5.09303850067254 2379675 C1=CC=C2C(=C1)N=C(S2)COC(=O)CNC(=O)C3=CC=C(C=C3)Cl 1 3.27 2 3 -6.88756669741947 2379658 COC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32)OC 1 2.617 2 5 0 -14.0805235225136 2379653 COC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCCC3=CC=CC=C32 1 2.102 2 5 0 -17.6418441423721 2379640 C1=CC(=CC=C1OCCSC2=NN=C(S2)N)Br 1 3.021 3 1 -4.98700578793099 2379638 CC(C)(C)NC(=O)NC(=O)COC(=O)CC1=C(C=CC=C1Cl)F 1 2.361 2 4 -15.5244786893531 2379633 C1CCC(CC1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.893 1 5 -18.0138504385273 2379608 C1=CN=C(N=C1)SCC(=O)NCC2=CC=CS2 1 1.497 3 1 0 -15.412170916051 2379600 CC(C)(C)NC(=O)NC(=O)CSC(=S)N(C)C 1 1.975 3 2 0 -13.2143731343757 2379591 COC1=CC=C(C=C1)N(CC=C)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC3CC3 1 3.193 2 6 0 -25.3964984120529 2379586 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC=CS2 1 3.026 1 3 -17.0843720238891 2379578 C1=CC=C(C=C1)CNC(=O)CCC(=O)C2=CC=C(C=C2)Cl 1 3.241 1 2 -9.62660847425104 2379576 C1=CC=C(C(=C1)C(=O)NCC(=O)OCC2=NC3=CC=CC=C3S2)F 1 2.811 2 3 -10.8400218269495 2379572 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4C(=O)C5=C(C4=O)C(=CC=C5)N 1 4.183 3 3 -4.29847396118964 2379552 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CO3)C4=CC=C(C=C4)F 1 3.843 3 3 -26.2387423930651 2379518 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=CC(=C(C=C2)OC)OC 1 1.683 1 6 0 -16.4638284906613 2379506 CC1=NNC(=NC1=O)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N 1 1.36 5 3 0 -23.1913988070121 2379487 COCCN1C(=C(C(=O)NC1=O)SC2=CC=C(C=C2)[N+](=O)[O-])N 1 0.56 4 5 0 -6.00445391420742 2379446 COCCN1C(=C(C(=O)NC1=O)SC2=CC=C(C=C2)Cl)N 1 1.33 3 3 0 -2.08805743626337 2379435 COCCN1C(=C(C(=O)NC1=O)SC2=CC=CC=C2)N 1 0.666 3 3 0 -4.8332213521663 2379433 CCCCN1C(=C(C(=O)NC1=O)SC2=CC=C(C=C2)Cl)N 1 2.79 3 2 -0.725037946151003 2379432 CCCCN1C(=C(C(=O)NC1=O)SC2=CC=CC=C2)N 1 2.126 3 2 -3.47020186205394 2379430 COCCN1C(=C(C(=O)NC1=O)SC2=CC=CC=C2[N+](=O)[O-])N 1 0.56 4 5 0 -8.9255920569315 2379429 CC1=CC=C(C=C1)SC2=C(N(C(=O)NC2=O)CCOC)N 1 1.152 3 3 0 -3.91005612685019 2379413 C1=CSC(=C1)C(=O)CCC(=O)NCC2=CC=C(C=C2)Cl 1 3.194 1 2 -13.1355199028905 2379402 CC1=NC=C(N=C1)C(=O)NC2=CC=C(C=C2)N3CCCCC3 1 2.103 4 1 -9.24881414597023 2379400 CC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C 1 2.126 2 4 -14.0778108523285 2379388 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC=C(C=C3)OC 1 2.668 2 4 -8.38715468925779 2379371 C1=CC(=CC=C1COC2=C(C=C(C=C2Cl)/C=C(\C#N)/C(=O)N)Cl)Cl 1 4.699 2 2 -5.31764226239005 2379367 C1=CC=C(C=C1)C2=C(C=CC(=C2)C(F)(F)F)NC(=O)C3=CC=CC=C3 1 5.075 1 1 2.14707453511518 2379361 CC1=NC=C(N=C1)C(=O)NC2=NC=CS2 1 2.1e-002 4 1 0 -11.8281281983298 2379352 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=CC(=C(C=C3)OC)OC 1 2.917 2 6 0 -22.7499276306497 2379341 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=CS3 1 3.219 2 3 -6.26637537842791 2379330 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=CC=C3C(F)(F)F)C(=O)O 1 2.394 3 4 0 -12.2229053257314 2379325 CS(=O)(=O)N1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 1.176 1 4 0 -4.29209125679176 2379308 CN1C(=NN=N1)SCC2=NC3=CC=CC=C3S2 1 2.084 5 0 -10.9964955931696 2379298 C1=CC=C2C(=C1)N=CC(=O)N2CC3=CC=C(C=C3)Br 1 3.293 2 1 0.246337943015319 2379297 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC(=O)C3=CC=CC=C3)C 1 3.417 0 5 -14.6967184657394 2379291 CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)CC)C)C3=NC4=CC=CC=C4C=C3 1 5.439 1 4 -1.562804668425 2379271 CN=C1N(C(=O)/C(=C/C2=C(C=C(C=C2OC)OC)OC)/S1)C 1 2.359 2 4 -5.15899850291016 2379261 CC1=C(C(=NO1)C)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C 1 2.627 1 5 -17.3046840778369 2379253 C1=CC2=C(C(=C1)OCC3=CC=C(C=C3)C(=O)NN=CC4=CC(=CC=C4)O)N=CC=C2 1 4.194 3 3 -8.22091767048075 2379245 C1=CC=C(C(=C1)C(=O)C2=CN(C(=O)C(=C2)C#N)C3=NC=CS3)O 1 1.417 3 3 0 -5.20141666801999 2379141 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NN=CC3=CC(=C(C=C3)OC)OC 1 3.817 3 3 -10.3438743566311 2379144 CCN(CC)C1=CC=C(C=C1)C(=O)NN=CC2=C(C=C(C=C2)OC)OC 1 3.51 3 3 -9.17469233932208 2379233 CCC(C)(C)NC(=O)/C=C/C1=CC(=C(C(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)OC)OC 1 3.696 2 5 0 -20.8510841972505 2379230 CC1=NN(C(=C1/C=C(\C#N)/C(=O)NCC=C)Cl)C2=CC=CC=C2 1 2.929 4 1 -13.4088070315609 2379229 C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)Br 1 2.13 2 4 -13.1503769608019 2379220 CC(C)C1=CC=CC=C1NC(=O)COC(=O)CC2=CC(=CC=C2)C(F)(F)F 1 4.493 1 3 -5.81046078432847 2379214 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=NNC3=CC=CC=C32 1 1.514 4 4 0 -17.9929462827298 2379207 CC(=O)NC1=CC=C(C=C1)NC(=O)COC2=NC=NC3=CC=CC=C32 1 1.667 4 3 0 -5.33928430645616 2379188 CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=NN=C(N)N 1 2.958 5 0 1.64866038075039 2379170 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N(C)C2CCCCC2 1 2.058 2 5 0 -14.3702810691573 2379159 CN(C1CCCCC1)C(=O)CSC2=NC=NC3=CC=CC=C32 1 3.593 3 1 -8.86534012530962 2379110 C1=CSC(=C1)C(=O)CCC(=O)NC2=C(C(=C(C=C2)F)F)F 1 3.139 1 2 -9.96330692761753 2379107 CCOC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C 1 2.13 5 4 0 -15.5605942909869 2379096 CN1CCN(CC1)C(=S)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C 1 1.521 4 3 0 -17.8113452887804 2379063 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(=S)N(CCC#N)CC2=CN=CC=C2 1 1.976 5 3 0 -23.1898911308739 2379060 CC1=CC=C(S1)C=NN2CCOCC2 1 1.35 2 1 0 -0.395803396254776 2379055 C1=CC=C(C(=C1)C(=O)NC(=S)NCC2=NC3=CC=CC=C3N2)F 1 3.409 4 1 -10.3288019379894 2379048 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 2.509 5 6 0 -27.1704636659678 2379020 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)CSC3=NN=C(S3)N)C)C 1 2.882 4 1 -0.388510924618579 2379009 C1CCN(CC1)N=CC2=C(C=C(C=C2)OC(F)F)OC(F)F 1 4.092 2 2 1.50424978738161 2379002 CC1=NN(C(=C1C=NNC(=S)NC2=CC=CC=C2F)N3CCCC3)C4=CC=CC=C4 1 5.548 6 0 -4.9055343151867 2378959 C1CCC(=CC1)CCNC(=O)COC(=O)CCOC2=CC=CC=C2 1 3.156 1 4 -16.3389855792786 2378948 CC1=CC=C(O1)C=NN2C(=NC3=CC=CC=C3C2=O)C 1 2.221 3 2 -5.9103323559841 2378890 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)OCC(=O)NC3=CC=CC=C3 1 2.557 1 5 -7.30090313168249 2378846 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=NC=CN=C2 1 -0.431 4 4 0 -14.3725243659867 2378844 CC(C)C1=CC=CC=C1NC(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 3.245 2 6 0 -13.5979709169539 2378830 CC1=CC=C(S1)C(=O)OCC(=O)NC2=CC=C(C=C2)NC(=O)C 1 1.541 2 4 0 -12.0496691792528 2378817 CCOC1=C(C=CC=N1)C(=O)NC2=NN=C(S2)C3CC3 1 1.828 4 2 0 -13.0559455284593 2378760 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)Br 1 4.31 5 2 0 -13.6867081353671 2378753 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 2.113 2 4 -14.1436388679481 2378712 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC(CC2)C(=O)N 1 1.502 2 4 0 -12.9964538768523 2378674 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NCCC3=CC=C(C=C3)OC 1 3.262 2 5 0 -20.976447300023 2378625 COC(=O)C1=CC(=CC(=C1)C(=O)NCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=O)[N+](=O)[O-] 1 2.708 3 7 0 -16.3498096340024 2378660 C(=NNC(=O)C(=O)N)C1=C(C(=C(C(=C1F)F)F)F)F 1 1.194 3 2 0 -3.82239895429699 2378650 CC1=CC(=C(C=C1)NC2=C3C=CSC3=NC=N2)C 1 4.173 3 0 0.930074894314355 2378599 CC(=C)CNC(=S)NN=CC1=CC=C(C=C1)N2CCOCC2 1 3.144 4 1 -9.3667292165064 2378597 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.606 3 6 0 -19.5582334864588 2378572 COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=NNC3=CC=CC=C32 1 2.361 3 5 0 -17.3932960228556 2378571 CC1=CC(=C(C=C1)NC(=O)COC(=O)CNC(=O)C2CCCCC2)Br 1 3.078 2 4 -12.7986654334074 2378569 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=NNC3=CC=CC=C32 1 2.6 3 3 -14.8424623261538 2378547 CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 1.088 3 8 0 -22.0857327864313 2378533 COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CNC(=O)C2CCCCC2 1 2.491 2 5 0 -11.9257421116918 2378520 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NN2C=NN=C2 1 4.7e-002 5 3 0 -15.8805759699972 2378471 CC1=C(C(=NO1)NC(=O)C2=C(C=C(C=C2)Cl)Cl)Br 1 3.83 2 2 -0.885512237378742 2378460 COC1=CC=C(C=C1)N2C=NC3=C(C2=N)C=NN3CCC#N 1 1.324 6 1 0 -7.20196778423658 2378449 CC(=C)CNC(=S)NN=CC1=CC=C(C=C1)NC(=O)C 1 2.415 4 1 -12.6124123951628 2378436 CC1=CC(=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Br)C 1 3.102 2 4 -16.1130538567468 2378433 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])C 1 3.266 2 5 0 -8.60377049198366 2378425 C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CCl 1 1.829 2 2 0 -7.35369594781322 2378420 COC1=CC=C(C=C1)C(=O)CNC2=CC=CC=C2C(=O)OC 1 2.733 1 4 -8.39652151469069 2378409 COC1=CC=C(C=C1)NC(=O)CNC2=CC=C(C=C2)C#N 1 2.137 3 2 -9.66140336260762 2378398 CC1=C(C=C(C=C1)C(=O)CNC2=CC=CC(=C2)C(=O)C)[N+](=O)[O-] 1 3.015 2 4 -9.53788670764851 2378390 COC1=C(C=C(C=C1)NCC(=O)N2CCCC2)Cl 1 2.013 2 2 -7.19668751610265 2378363 COC1=CC=C(C=C1)C(=O)CNC2=CC=CC=C2Br 1 3.626 1 2 -3.88773741893794 2378336 COC1=CC=C(C=C1)C(=O)CNC2=CC=CC=C2CO 1 2.273 1 3 -4.13125752139274 2378329 CC1=CC=C(C=C1)NC(=O)CNC2=CC(=C(C=C2C(=O)OC)OC)OC 1 2.583 2 5 0 -13.5216266883739 2378317 C1CCC(CC1)NC(=O)/C(=C/C2=CC=CC=C2[N+](=O)[O-])/C#N 1 3.097 3 3 -14.6016434241804 2378293 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(SC4=C3CCCC4)N 1 2.13 4 2 -17.5482101913748 2378291 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CCl 1 3.253 1 2 -4.46631037541593 2378290 COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCCCN2CCCC2=O 1 7.e-002 2 6 0 -25.0950247108962 2378275 COC1=C(C=CC(=C1)C=NN2CCOCC2)OC(=O)C3=CC=CO3 1 2.062 2 5 0 -8.37401968477276 2378273 CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CCl 1 4.76 1 1 -1.71343663300964e-002 2378240 C1CC1N2C(=NNC2=S)C3=CC=CC=C3F 1 2.797 3 0 -5.54686242546334 2378238 C1CN=C(SC1)NC2=CC=CC=C2Cl 1 2.957 2 0 -5.08265256867402 2378218 C1CN(CCN1C2=NNC(=O)NC2=O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 -0.455 6 5 0 -18.3614718765237 2378215 C1CN(CCN1C2=NNC(=O)NC2=O)C(=O)C3=C(C=C(C=C3)F)F 1 6.1e-002 5 3 0 -12.712350593029 2378207 COC1=CC=CC(=C1OC)/C=C/C(=O)N2CCN(CC2)C3=NNC(=O)NC3=O 1 8.5e-002 5 5 0 -16.073151935658 2378199 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NCC3=CC=C(C=C3)Cl 1 1.91 2 6 0 -21.9021077930627 2378189 CC1=CC(=C(C=C1)/C=C(\C#N)/C(=O)N2CCCC2)C 1 2.984 2 1 -10.1249893148743 2378186 CC1=CC=C(O1)/C=C(\C#N)/C(=O)NCC=C 1 1.502 2 2 0 -17.9369982238537 2378176 CCOCCCNC(=O)/C(=C/C1=CC(=C(C=C1)Cl)[N+](=O)[O-])/C#N 1 2.184 3 4 0 -19.1683084746486 2378168 C=CCNC(=O)/C(=C/C1=CC=CC=C1[N+](=O)[O-])/C#N 1 1.856 3 3 0 -18.054557001989 2378150 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NC3=CC=C(C=C3)OC)C 1 4.122 3 3 -10.2928795274803 2378145 CN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 1.911 5 2 0 -16.687413031604 2378108 CC1=C(SC=C1)C=NN2CCOCC2 1 1.691 2 1 0 -1.68944492755737 2378106 CC1=CC(=C(C=C1)NC(=S)NN=CC2=C(C=CC=C2Cl)Cl)C 1 6.387 3 0 -7.80060025494082 2378098 CC1=C(C=C(C(=N1)C)NC(=O)N2CCC3=CC=CC=C32)NC(=O)N4CCC5=CC=CC=C54 1 3.191 5 2 0 -9.27504793781188 2378088 C1=CC(=C(C=C1Br)Br)NC(=O)CSC2=NNC(=O)NC2=O 1 1.902 4 3 0 -21.2107619356069 2378082 CCCCNC(=S)NC1=CC=CC2=C1C=CN=C2 1 3.598 3 0 -9.78479863094907 2378081 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NN2C=NN=C2 1 2.435 5 1 -6.62215902075793 2378071 C1CCC(CC1)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 5.095 3 1 -3.73344988738315 2378045 CC1=CC=C(S1)C=NN2C(=NC3=CC=CC=C3C2=O)C 1 2.779 3 1 -4.4318965775084 2378016 C1=CC=C(C=C1)C2=CN(C(=S)N2)N=CC3=CC=C(C=C3)Br 1 4.155 3 0 -0.370776648821556 2378000 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC5=C4C(=CC=C5)C3=O)O 1 4.077 3 4 0 -0.300138351705155 2377985 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC(=C(C=C3OC)OC)Cl 1 3.859 2 7 0 -23.9079769820903 2377983 C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 5.062 2 3 -1.49774398210676 2377980 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)/C=C/C3=CC=CO3 1 2.624 2 4 -5.67434262866416 2377975 CC(C)[C@@H](C(=O)OCC(=O)NCCC1=CCCCC1)NC(=O)C2=CC=CC=C2 1 3.459 2 4 -27.7886970710506 2377970 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC=C(C=C3)Cl 1 3.425 2 3 -4.25405773895634 2377969 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 1.39 4 6 0 -23.3912334441251 2377949 COC1=C(C=C(C=C1)C(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC 1 2.345 4 6 0 -30.6259242306662 2377942 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=NNC3=CC=CC=C32 1 2.384 3 4 0 -19.0892748893961 2377936 CC1=C(C(=CC=C1)NC(=S)N(C2=CC=CC=C2)C(C)C)C 1 6.419 2 0 -5.06048167289365 2377931 COC1=C(C2=C(C=C1)C(=C(S2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)Cl)Cl 1 4.196 1 6 0 -10.8776920270756 2377913 CC1=C(C(=NO1)C)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.533 2 4 0 -16.2188504600546 2377881 CC1=CC(=C(C=C1)C)NC(=S)N(C)CCO 1 3.481 2 1 -4.86610747855708 2377842 CCNC(=S)NC1=CC=C(C=C1)N2CCCCC2 1 3.94 3 0 -6.8538277640101 2377835 C1CC(CCC1NC(=S)NC2=CC=C(C=C2)SC(F)F)O 1 4.497 2 1 -8.23040052406725 2377815 CC1=C(C(=CC=C1)C)NC(=S)NN2CCN(CC2)C 1 3.084 4 0 -3.42696090644091 2377756 C1CC2=C(C1)SC3=C2C(=NC=N3)SC4=C(C=CC=N4)C(=O)O 1 3.715 3 2 -11.9975517254905 2377746 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NCCC3=CCCCC3 1 3.701 2 4 -24.0509333946127 2377732 C1=CC(=CC=C1CNC(=O)C2=CC(=CN(C2=O)CC3=CC=C(C=C3)Cl)C(=O)C4=C(C=CC(=C4)F)O)Cl 1 4.874 2 4 -4.33805719317333 2377724 CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NC3CC3 1 3.001 3 2 -29.5125286961755 2377721 CC1=CC(=NC(=N1)SC2=NC=NC3=C2OC4=CC=CC=C43)C 1 3.948 4 1 1.91122816252977 2377706 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=NNC4=CC=CC=C43 1 1.972 4 5 0 -28.7874763506867 2377697 C1=CC2=C(C=CC(=C2)C=NC3=C(C(=C(C(=C3F)F)F)F)F)N=C1 1 4.64 2 0 5.05191374669717 2377635 CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 4.167 2 3 -4.29674356189575 2377631 COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl)C4=CC=CC=C4 1 5.196 4 4 0 6.2123958751061 2377624 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 1.449 4 3 0 -9.68579784513536 2377612 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN=CC3=C4C=CC=CC4=CC5=CC=CC=C53 1 4.707 4 3 0 -18.9030147713012 2377604 COC1=CC=C(C=C1)CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.336 3 4 0 -20.4006321184658 2377593 C1CN(CCN1C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl)C(=O)C4=CC=CO4 1 2.672 3 5 0 -8.6235886660767 2377549 C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 3.599 3 3 -4.37544816752179 2377530 C1=CC=C(C(=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl)F 1 2.304 3 4 0 -11.6936418945246 2377416 CC1=CSC(=N1)NC(=O)C2=CC=[N+](C=C2)[O-] 1 -0.101 3 2 0 -9.79673971376789 2377405 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)N 1 1.365 4 3 0 -16.6111606636309 2377401 CC1=CC=CC=C1N(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=CS4 1 5.462 2 1 -6.49740899624085 2377387 C1=CC(=CC=C1C#N)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.905 3 5 0 -16.4866988717744 2377367 C1CC(CCC1N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3)O 1 2.107 3 2 -0.322495533847765 2377361 CC1=C(C(=NO1)C)CSC2=NN=NN2C3=CC=C(C=C3)Cl 1 2.93 5 1 -19.4280534263291 2377235 CCCN(CC1CC1)C(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C 1 2.864 2 5 0 -18.5473556609416 2377234 CC1=CC=C(C=C1)CSC2=NC=NC3=CC=CC=C32 1 4.538 2 0 -1.0994736961168 2377208 CC1=NN(C2=NC3=C(C=C12)C(=O)CCC3)C4=CC=CC=C4 1 3.115 3 1 -3.43600007801198 2377173 COC1=CC=CC(=C1)C2=NN(C=C2C(=O)O)C3=CC=CC=C3 1 3.616 2 3 8.84774657776905 2377171 C1CCC(=CC1)CCNC(=O)COC(=O)COC2=CC=C(C=C2)C#N 1 2.786 2 4 -18.2966388329164 2377168 C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.138 4 3 0 -15.6576362207647 2377163 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])/C=C/C(=O)O 1 3.995 3 4 0 10.2112706351007 2377083 CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=CC=CC=C3OC 1 2.656 2 4 -17.6839391027261 2377074 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)N2CCCC3=CC=CC=C32 1 2.878 3 3 -11.4486858857018 2377067 COC1=C(C=C(C=C1)NC(=S)NN=CC2=CC=C(C=C2)F)OC 1 4.258 3 2 -9.7172551319573 2377052 CC(=O)C1=C(N=C(S1)N2CCOCC2)C3=CC=CC=C3 1 2.035 2 2 0.332731121554485 2377047 CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)COC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 5.555 1 6 0 -12.8119515575364 2377036 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)C=NN4 1 1.063 4 4 0 -21.0168262501485 2377032 CCOC(=O)C1=C(N=C(S1)NC=NC2=NC(=C(S2)C(=O)OCC)C)C 1 2.259 4 4 0 -3.15654440870743 2376998 C1=CC=NC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.594 3 3 -3.67238664437779 2376964 C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCC4=C(C=CC=C4Cl)Cl 1 5.566 4 0 -8.94560653140028 2376946 CC1=NC2=NC(=NN2C(=C1)N)C(F)(F)F 1 1.359 5 0 0 -3.50258027831592 2376915 C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N 1 3.023 2 3 -13.6678095962545 2376911 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CO3 1 1.544 2 6 0 -28.6272897645951 2376901 C1=CC=C(C=C1)NC(=O)CCC2=NC3=CC=CC=C3S2 1 3.174 2 1 -6.04340644306085 2376888 COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2)OC 1 3.073 1 5 -19.262680976843 2376875 C1=CC2=C(C(=C1)OCC3=CC=C(C=C3)C(=O)NN)N=CC=C2 1 2.093 3 2 -8.93565744366494 2376869 COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2CC2 1 1.726 1 4 0 -14.0974676351763 2376837 C1=CSC(=C1)/C=C(/C2=CC=C(C=C2)F)\C(=O)O 1 3.565 0 2 -3.06558229053633 2376831 CC1=NN(C(=C1)NC(=O)CCl)C2=NC3=CC=CC=C3S2 1 2.742 4 1 -3.86985541768407 2376829 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3 1 1.516 2 4 0 -15.9232886760223 2376822 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N)N=C2C4=CC=CC=C4 1 3.893 3 2 -2.22813022027914 2376815 CCN1C/C(=C\C2=CC(=C(C=C2)OC)O)/C(=O)/C(=C\C3=CC(=C(C=C3)OC)O)/C1 1 3.739 1 5 3.39319557357222 2376807 COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Br)N 1 2.303 2 3 -3.12366060598249 2376804 C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 3.46 1 3 -7.77174358080442 2376768 C1C(=O)C(=C(S1)N)C2=CC=C(C=C2)F 1 1.676 1 1 0 -0.712112760647287 2376707 CN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N)Cl 1 1.897 2 5 0 -14.8160185424498 2376694 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=CC=CC=C3N2)N 1 0.986 5 3 0 -11.0029850696514 2376691 C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)N 1 5.2e-002 3 4 0 -12.8850268529494 2376687 CC(C)[C@@H](C(=O)NCC1=C(C=C(C=C1)Cl)Cl)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 4.896 3 4 0 -22.1697013227197 2376685 C1=COC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)F 1 3.356 3 2 -13.5017670111072 2376627 C1=CC(=CC=C1CCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)N 1 1.436 4 7 0 -14.9310854823301 2376600 CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=CC=CC=[N+]3[O-] 1 2.611 2 2 -1.63482741710529 2376550 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=NCCS2)Cl 1 2.581 3 3 -20.3593519923838 2376541 C1=CC(=CC(=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)F)C(F)(F)F 1 3.717 1 2 -0.652299994780963 2376498 COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)OC 1 2.606 2 6 0 -10.7754675776076 2376425 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=CC=C3)F 1 3.51 4 3 0 -12.2585936916815 2376386 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CO3 1 1.998 2 6 0 -16.5815076333441 2376349 CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC4=CC=CC=C43)C5=CN=CC=C5)C 1 5.18 5 1 -13.7692613545969 2376321 CSC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCC=C 1 2.503 2 1 -13.3109285726184 2376318 C1CN(CCN1C(=O)COC(=O)COC2=CC=CC=C2C#N)C(=O)C3=CC=CO3 1 0.941 3 6 0 -13.7633106857063 2376314 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)COC3=CC=CC=C3C#N 1 1.81 2 6 0 -16.9941792168213 2376288 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)OC 1 3.545 5 3 0 -14.4650132899966 2376254 CC1=CC=C(C=C1)C(=O)N2C(=S)N(C=N2)C 1 2.376 3 1 -2.48296503439026 2376193 C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 2.514 1 4 -5.76727985898647 2376189 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)F)F 1 5.223 2 2 7.09924292860436 2376185 CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F 1 3.319 2 3 -13.349258944356 2376171 CN(C(=S)NCC1=CC=CC=C1)N 1 1.677 3 0 0 -6.15757272376752 2376140 COC1=CC=CC=C1OCCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 3.106 2 5 0 -8.64812070930688 2376121 C1=CC=C(C(=C1)COC(=O)CCC2=NC3=CC=CC=C3S2)F 1 4.034 1 2 -4.90887851071174 2376105 CC1=C(C=CC(=C1)NC(=S)NC(=O)C2CC2)Br 1 4.094 2 1 -8.17552184860427 2376091 C1CCC(CC1)NC(=S)NC2=C(C(=C(C=C2)F)F)F 1 4.987 2 0 -6.60424745373168 2376086 COCCN1C(=O)C2=C(NC1=S)SC3=C2CCCC3 1 3.18 2 2 -11.7813010293674 2376084 CC1=C(C(=NO1)C)CSC2=NC3=CC=CC=C3C(=O)N2CC=C 1 3.319 3 2 -26.2438607381647 2376018 CC1(CSC(=N1)NCC2=CC=CC=C2)C 1 2.82 2 0 -1.50721548827738 2375990 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)COC(=O)/C=C/C4=CC=CC=C4 1 4.276 1 5 -12.2794781326242 2375982 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 1.923 3 5 0 -5.60421507187117 2375965 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 2.492 3 5 0 -10.0456504984334 2375959 C1=CC=C(C(=C1)C(=O)NC(=S)NN2C=NN=C2)Br 1 1.783 5 1 0 -8.1941108332676 2375958 CCCN(CC1CC1)C(=S)NC(=O)C2=CC=CC=C2Br 1 4.888 2 1 -10.8088174849315 2375956 CCN(C1CCCCC1)C(=S)NC(=O)C2CCCC2 1 4.66 2 1 -6.21013491454207 2375953 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2CC(C)C 1 3.108 4 2 -16.9166784540506 2375946 COC1=C(C=CC(=C1)Cl)NC(=O)COC2=CC=CC=C2C(=O)NN 1 1.608 3 4 0 -11.0209728591561 2375939 C1=CC=C(C(=C1)C(=O)O)OCC(=O)NC2=CC=C(C=C2)SC(F)F 1 3.443 1 4 -8.17942596750907 2375908 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC 1 2.492 1 5 -12.2684422712494 2375886 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl)NC(=O)C3=CC=CO3 1 3.705 3 5 0 -10.4344073008462 2375803 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NN=CC2=CSC=C2 1 3.581 2 2 -3.90859603839179 2375779 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl 1 3.561 2 4 -7.16346209624228 2375746 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 2.564 3 4 0 -17.6267760091366 2375741 CCOC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3 1 5.198 4 2 -10.0516388890592 2375710 CC1=C(SC(=C1C(=O)OC)NC(=O)COC2=NC=NC3=CC=CC=C32)C 1 2.82 3 4 0 -11.7379443731814 2375708 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC3=CC(=CC=C3)Cl 1 3.677 2 2 0.818405841758843 2375703 C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 2.807 2 5 0 -7.43181186873977 2375700 CC(C)NC(=S)N1CCN(CC1)C2=NC=CC=N2 1 1.671 5 0 0 -10.1471490330659 2375695 CN(C1CCCCC1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.502 2 5 0 -20.7217038883618 2375678 C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)C3CCCC3 1 5.276 3 1 -19.2142987828848 2375676 CCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC(=C2)C)C 1 2.347 5 2 0 -16.5469658117057 2375652 COC1=CC=CC=C1NC(=S)NNC(=S)NC2=CC=C(C=C2)OC(F)F 1 5.466 4 2 -4.33384239295376 2375646 CC(=C)CNC(=S)NC1=CC=CC2=C1C=CN=C2 1 3.333 3 0 -8.03404613214397 2375640 CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)C2CCCC2)C 1 4.54 2 3 -8.05806719730435 2375612 CCNC(=S)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC 1 4.37 2 2 -10.3510589369633 2375592 C1=C(OC(=C1)Br)C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 3.002 2 4 -4.40018694431324 2375583 C1=COC(=C1)C(=O)CSC2=NN=C(S2)SCC(=O)C3=CC=CO3 1 3.231 2 4 -9.04305164385307 2375578 C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl)O 1 2.797 2 4 -2.32623632446534 2375568 COC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 3.057 2 4 -4.74744644678197 2375556 CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)C3=NN=C(O3)C4=CC=CC=C4 1 4.456 5 2 0 -5.80797467200874 2375549 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl)O 1 2.797 2 4 -2.04274301128214 2375526 CCN(C1CCCCC1)C(=S)NC2=CC=C(C=C2)OC(F)F 1 6.06 2 1 -5.8996141858305 2375468 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC2=CC=C(C=C2)C#N)N 1 0.249 4 4 0 -13.3410610263277 2375467 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 3.528 4 2 -12.0402182191565 2375376 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Cl)C4=NNC5=CC=CC=C54 1 5.358 6 1 0 -11.0588921261989 2375381 C1CCC(C1)NC(=O)CSCC2=CC=CO2 1 2.022 1 2 -10.4395864184265 2375385 CCOC(=O)CSCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 1 1.521 2 5 0 -26.355878201385 2375409 C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)NCC4=CC=CS4 1 2.762 5 2 0 -28.5855470692237 2375395 CN(CC1=CC=CC=C1)C(=O)CSC2=NNC(=N2)N 1 1.297 5 1 0 -10.7399903577038 2375394 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=CC=CC=[N+]3[O-] 1 3.69 1 2 -1.78512870338388e-002 2375357 CC1=NN(C2=NC3=C(C=C12)C(=O)CC(C3)(C)C)C4=CC=C(C=C4)F 1 3.779 3 1 -5.89937300564128 2375354 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3Cl)C4=NNC5=CC=CC=C54 1 5.358 6 1 0 -13.8781158819658 2375307 C1=CC=C2C(=C1)NC(=N2)CNC(=S)NC(=O)C3=CC=C(C=C3)F 1 3.409 4 1 -8.34363713992293 2375248 C1=CC(=C(N=C1)Cl)C(=O)OCC2=CC=CO2 1 2.173 1 3 -4.0357572012958 2375160 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3Cl 1 3.428 5 3 0 -10.4952347020848 2375130 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N)CC=C)C 1 1.828 5 4 0 -30.7013374272987 2375060 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 1 5.368 4 3 0 -16.942480918422 2375058 CCOC1=CC=C(C=C1)N(C2=NC(CS2)(C)C)C(=O)C3=CC=CC=C3Cl 1 5.464 2 2 -3.75025044548184 2375036 C1=CC=C(C=C1)C2=NN(C=C2C=NO)CCC#N 1 2.232 4 1 3.9944615959279 2375019 CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC=C(C=C2)Cl 1 5.653 2 2 -12.7736769821089 2374963 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)NC2=NC=CS2 1 1.138 4 3 0 -10.4245513246643 2374960 CCOC(=O)C1=C(N=C(C(=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)F)C)C 1 2.673 4 4 0 -17.9249702649532 2374937 CCN1C(=C(SC1=NS(=O)(=O)C2=CC=CC=C2)C=O)Cl 1 2.66 2 3 -3.1781826045645 2374931 C1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)NC(=O)N3)C(F)(F)F 1 2.328 4 2 -7.1665057228236 2374905 CC(C)(C)C1CCC(CC1)OC(=O)C2=CC(=CN=C2)Br 1 4.307 1 2 -10.4394656292063 2374900 CCN(CC)C(=O)COC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.59 3 5 0 -18.6413873025883 2374894 C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C(C2=O)CCC(=O)O 1 2.789 2 3 -11.6220166714159 2374884 C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NN=CS2 1 1.395 4 1 0 -14.6294452010245 2374852 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCOC)CCOC 1 0.562 4 6 0 -24.9335441228988 2374802 C1=CC=C(C(=C1)NC(=O)COC2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC=CS3 1 2.603 3 4 0 -11.8854679457439 2374760 COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=NC=C2 1 0.319 3 5 0 -14.1173176569168 2374720 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F)OC 1 4.219 3 5 0 -8.51480573641311 2374706 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC(=C(C=C4)F)F 1 4.441 3 4 0 -4.2967537808219 2374693 CC1=C(C(=CC=C1)NC2=NNC(=S)S2)C 1 3.982 3 0 -0.637844925345482 2374635 C1=CC2=NN=C(N2C=C1)SCC(=O)NCC3=CC=CS3 1 2.071 4 1 -22.2016511640808 2374619 CC1=C(SC=C1)/C=C/2\CCC3=CC=CC=C3C2=O 1 4.702 0 1 1.62115136246136 2374581 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3CC3 1 2.944 2 2 -13.5145499958223 2374555 CC1=NN(C2=NC3=C(C=C12)C(=O)CC(C3)(C)C)C4=CC(=CC=C4)Cl 1 4.238 3 1 -2.86340331207668 2374508 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 3.024 2 6 0 -8.56838097155376 2374507 CC1=CC=C(S1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)OC 1 2.732 1 4 -12.5544442740534 2374505 C1=CC=C(C(=C1)C(=O)NC(=S)NN2C=NN=C2)Cl 1 1.699 5 1 0 -9.11239664313262 2374458 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC3=CC=CC=C3Cl 1 3.677 2 2 -1.8094329123923 2374386 C1=CC=C(C=C1)S(=O)(=O)N=C2N(C(=C(S2)C=O)Cl)CCCCl 1 2.393 2 3 -4.79102911520716 2374353 C1CN(C2=CC=CC=C21)C(=O)CSCC3=CC=CO3 1 2.477 1 2 -11.848484916772 2374298 CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC=C(C=C2)C#N)N 1 0.423 4 3 0 -12.9532140238343 2374283 CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)C=NN3)S(=O)(=O)N4CCCCC4 1 2.778 4 3 0 -18.5777638214354 2374244 COC(=O)C1=CC=C(C=C1)NCC(=O)N2CCCCCC2 1 2.133 2 3 -10.6405043129459 2374241 CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl)Br 1 5.203 3 4 0 -11.3464657149998 2374213 C1=CC2=C(C=C1Cl)N=C(O2)SCC3=CC(=O)N4C=CSC4=N3 1 2.968 3 2 -10.3244578531773 2374192 C1COCCN1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 1.422 4 2 0 -8.25733571217379 2374189 C1=CC=C(C=C1)CN(C(=S)NC2=CC(=C(C=C2)Cl)Cl)N 1 4.861 3 0 -1.85450515045655 2374150 C1CC1C2=NN=C(N2N)SCC(=O)N3CCOCC3 1 -0.243 5 2 0 -17.2146949051097 2374148 COC1=CC=C(C=C1)OCC2=NNC(=S)N2N 1 1.223 4 2 0 -6.69558719496664 2374147 C1CCN(C1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1 2 4 0 -22.840978441476 2374138 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 1 4.485 4 3 0 -21.1221964191595 2374133 CN(CCC1=CC(=C(C=C1)OC)OC)C(=S)NC(=O)C2=C(C=C(C=C2)F)Cl 1 5.189 2 3 -8.04791531103907 2374104 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)F)Cl 1 4.262 4 4 0 -17.3411696111924 2374101 CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=C(C=C(C=C2)F)F)N 1 0.955 3 3 0 -7.60514572317202 2374099 CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=CC=C2Br 1 5.128 2 1 -10.2530185546772 2374091 CC1=CC=CC=C1C(=O)NC(=S)NC2CC2 1 2.887 2 1 -12.3839906146271 2374072 C1CCC(CC1)(CC(=O)NC2=CC3=CC=CC=C3C=C2)CC(=O)O 1 3.615 1 3 -2.88606888348598 2374066 COC1=CC=CC=C1C2=CSC(=N2)CC3=NN=C4N3CCCCC4 1 3.581 4 1 -7.94712217038021 2374065 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3 1 4.102 3 2 -11.6861385738492 2374045 C1=CC=C(C=C1)CNC2=NN=C(S2)SCC(=O)C3=CC=CO3 1 2.958 3 2 -11.6993094479756 2373994 CCNC(=S)NN(C1=CC=CC=C1)C2=CC=CC=C2 1 4.316 3 0 -8.21264740662687 2373983 C1=CC(=NC=C1C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl)Cl 1 2.762 3 3 -7.76149874613616 2373980 CC1=C(SC=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2 1 3.048 1 3 -16.1788370012086 2373971 CC1=NN(C(=C1)NC(=O)C)C2=NC3=CC=CC=C3S2 1 2.209 4 1 -3.47438846203998 2373969 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C 1 3.956 5 1 -6.33246089644614 2373968 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)C3=CC=CO3 1 2.965 1 5 -13.1950332574843 2373962 C1CCC(CC1)CNC(=S)NC2=CC=C(C=C2)SC(F)F 1 6.064 2 0 -8.28047999549411 2373961 C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)NS(=O)(=O)C3=C(C=C(C=C3)F)F 1 2.369 3 3 -12.9832062858355 2373939 COC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl)OC 1 2.066 3 6 0 -12.658787778314 2373924 C1=CC(=C(N=C1)Cl)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.896 3 3 -6.54568283970226 2373891 CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl)C4=CC=CC=C4 1 5.698 4 3 0 5.00348411340967 2373890 COC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 2.082 3 5 0 -10.7611915675855 2373885 C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 4.055 3 3 -5.6643956651195 2373872 C1COCCN1C2=CC=CC=C2NC(=S)NC3=CC(=C(C=C3)F)Cl 1 5.086 3 1 -4.40032245523125 2373860 CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl 1 4.069 3 3 -9.56878114267487 2373848 CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)C2CC2)C 1 3.628 2 3 -11.8072143172122 2373826 CC1=C(C(=CC=C1)C)NC(=S)NCCCN2CCCC2=O 1 3.2 3 1 -23.0835018167195 2373816 CCN(C1=CC=CC2=CC=CC=C21)C(=S)NCC3=CC=CC=C3 1 5.706 2 0 -9.21566508970912 2373777 CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC=C(C=C2)Cl)N 1 1.209 3 3 0 -8.50547618357677 2373767 C1=CC=C2C=C(C=CC2=C1)NC(=O)CON=CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.134 3 4 0 -2.5025270093256 2373723 CC1=CC=CC=C1C(=O)NC(=S)N(C)CCC2=CC=CC=N2 1 3.829 3 1 -12.2739856032263 2373710 CCCN(CC1CC1)C(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl 1 5.553 2 1 -9.10389813112822 2373691 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)Cl 1 2.21 2 7 0 -20.424695891009 2373683 C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=CC=CO3 1 3.08 2 2 -2.37245529418114 2373681 COC1=CC=C(C=C1)CCNC(=O)C2=COC3=CC=CC=C3C2=O 1 2.444 1 4 -4.49919839628692 2373666 CC1=NC2=CC=CC=C2N(C1=O)CC(=O)NC3=CC(=C(C=C3)OC)Cl 1 2.323 3 3 -8.71906306851992 2373635 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.602 2 4 -7.55580376838975 2373623 C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NC3=C(C=CC=N3)O 1 3.321 2 3 -0.889132111012277 2373597 COC1=CC=CC(=C1)N(CC2=NN=C3N2CCCCC3)C(=O)NC4=CC=CC=C4F 1 3.693 5 2 0 -11.1371517193822 2373592 C1CC(=O)N(C1)CCCNC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 3.557 3 1 -19.5911379164553 2373569 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3)Cl 1 2.859 2 3 -17.2729824196896 2373560 C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Cl 1 2.413 1 4 -10.9440893936382 2373546 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.907 3 4 0 -3.27361313983488 2373545 CC(C)(C)N(CC1=CC=CC=C1)C(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 3.21 3 3 -7.6721594218025 2373519 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NNC(=N3)N 1 1.876 6 2 0 -6.34977458516372 2373514 CC1=NNC(=NC1=O)SCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 2.236 5 2 0 -21.4969758723974 2373458 CCCN(CC1CC1)C(=O)CSC2=NC=NC3=C2C=CS3 1 3.151 3 1 -18.6442523483117 2373429 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.711 2 4 -5.04468066595512 2373414 C1CCC(C1)NC(=S)NC2=CC=C(C=C2)SC(F)F 1 5.278 2 0 -7.9352260135948 2373396 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(S2)CCC3 1 3.964 1 2 -8.82876201013134 2373391 CC1=CC(=CC=C1)NNC(=S)NC2=C(C=CC=C2C)C 1 5.498 3 0 -0.929670682888214 2373381 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(S3)CCC4 1 4.263 2 3 -12.8155626110566 2373379 CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)Br 1 3.404 3 3 -11.9145438875944 2373356 CN(C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=CS3 1 3.023 2 5 0 -12.121867304856 2373306 CC1=C(C(=NO1)C)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 4.278 3 2 -24.0295026195826 2373305 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=C(ON=C2C)C)C 1 2.372 2 5 0 -15.8409787232836 2373294 CN(C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4 1 3.394 3 4 0 -8.69763942347286 2373282 COC1=NC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC(F)F 1 4.544 3 2 -4.05551671907451 2373236 CC1=CC=C(S1)C(=O)NC2CCCC2 1 2.539 1 1 -6.5698900968128 2373234 CN1CCCN(CC1)C(=O)C2CCCCC2 1 1.725 2 1 0 -3.11823441954232 2373230 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC=NN3 1 -0.279 5 4 0 -23.5900863799328 2373197 CN1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.209 4 4 0 -25.6261134268266 2373187 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCCOC(=O)C2=CC(=C(C=C2Cl)F)F 1 2.734 2 5 0 -17.1797690667565 2373159 CN(C1=CC=C(C=C1)OCC(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C3=CC=CS3 1 1.033 3 5 0 -13.5709124609913 2373139 CC[C@H](C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)N 1 1.351 3 4 0 -19.4651049049453 2373120 C=CCNC(=O)/C(=C/C1=CC=C(C=C1)C(=O)O)/C#N 1 1.591 2 3 0 -17.4813732298283 2373106 CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)N 1 2.105 3 4 0 -8.58921158158294 2373103 C1CN(CCN1C2=CC=CC=C2F)C(=O)/C(=C/C3=CC=CC=C3)/C#N 1 3.385 3 1 -6.50513853761987 2373095 C1CCC(CC1)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3 1 3.046 3 3 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CC(C)C1=CC=CC=C1NC(=S)NC2CCN(CC2)CC3=CC=CC=C3 1 5.4 3 0 -3.17405126653621 2371999 COC1=CC(=C(C=C1C(=O)OCC(=O)N2CCCC2)Cl)N 1 1.313 2 4 0 -9.85377211740763 2371992 C1CCC(C1)CCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.734 2 5 0 -16.2945696065762 2371981 C1=CC=C2C(=C1)C(=NC=N2)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.947 3 2 -3.60532154638776 2371973 CCOC1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3 1 4.457 3 1 -5.19613775073058 2371971 CC1=CC=CC=C1NC(=S)NC2=CC=CC3=C2C=CN=C3 1 4.61 3 0 -4.91400866102008 2371956 COC1=C(C=C(C=C1)C2=NN(C=C2C=NN3C=NN=C3)C4=CC=CC=C4)OC 1 3.185 6 2 0 8.75147431824447 2371954 CC1=C(C(=CC=C1)NC(=S)NN(CC2=CC=CC=C2)C3=CC=CC=C3)C 1 6.801 3 0 -3.04540107901076 2371946 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)C3=CC=CS3 1 3.481 2 3 -10.3784562688631 2371933 CC1=NN(C(=C1C=NN2C=NN=C2)Cl)C3=CC=CC(=C3)C(F)(F)F 1 2.955 6 0 8.15102298469383 2371919 CN(C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)F 1 2.95 3 8 0 -16.4689100762641 2371915 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCC3=CC=CC=N3)C 1 3.045 4 2 -12.7437301016298 2371909 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCN(CC3)C4=NC=CC=N4)C 1 2.502 6 2 0 -10.4787164606225 2371908 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCC3=CN=CC=C3)C 1 2.83 4 2 -14.5638261519136 2371889 C1=CC=C(C=C1)/C=C/C=NNC2=C(C=C(C=C2)F)F 1 4.22 2 0 7.555370736232 2371882 C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.757 1 5 -10.6952345107418 2371867 CNN=CC1=CC=C(C=C1)C#N 1 1.236 3 0 0 -3.40433360790737 2371853 C1=CC(=C(N=C1)SCC(=O)NCC2=CC=C(C=C2)F)C(=O)O 1 2.238 2 3 -16.254453799097 2371846 CCOC(=O)C1=C(SC(=C1C)C)NC2=NC(=C(S2)C(=O)NC)C 1 2.144 3 3 -15.993803355723 2371835 CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4)C)Cl 1 3.426 5 1 -8.20210510822163 2371833 COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O 1 3.002 2 7 0 -9.07395479617315 2371823 CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N 1 4.497 2 4 -12.6971697076662 2371784 CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SC4=NN=NN4C 1 2.504 6 0 -18.8855346190989 2371772 CCC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)C3=C(NC4=CC=CC=C43)C 1 3.376 3 3 -4.68709652865908 2371766 C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 2.984 2 4 -9.12349232251351 2371761 C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC(=O)N3CCC4=CC=CC=C43 1 4.262 1 3 -9.99609728571961 2371758 C1CCC(C1)(C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3CC3 1 2.895 1 3 -8.25417190362259 2371752 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC(=O)NC3CC3 1 2.651 2 4 -17.3452290683907 2371744 C1COCCN1C2=CC=C(C=C2)NC(=O)CN3C=NC4=CC=CC=C4C3=O 1 1.442 4 3 0 -10.7443990905125 2371743 COC1=C(C=C(C=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)OC 1 1.721 2 5 0 -18.6492515533667 2371736 CCCC1=CC(=O)N=C(N1)SCC2=CSC(=N2)C3=CC=CC=C3 1 4.127 3 1 -6.61148036725224 2371730 CC1=NN(C(=C1C=NNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3)Cl)C4=CC=CC=C4 1 3.925 5 3 0 -7.63227093022211 2371714 COC1=CC(=CC(=C1OC)OC)CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.304 3 6 0 -24.0062948219979 2371697 CC1=C(C(=NO1)C)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C 1 3.872 3 2 -27.2805577325509 2371696 CC1=C(C(=NO1)C)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)F)F 1 4.689 3 2 -21.5830607011293 2371694 CC1=C(C(=NO1)C)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl 1 4.943 3 2 -21.7777877368411 2371691 C1=CC=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Cl 1 3.782 1 3 -6.74565970382481 2371679 C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=C(N=CC=C3)Cl 1 3.041 4 3 0 -18.117704888842 2371659 CCN(C1CCCCC1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)N 1 3.075 2 3 -6.39337656987494 2371657 C1CCN(C1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)N 1 1.329 2 3 0 -6.21818841884763 2371650 CCCC(=O)OCC(=O)NCC1=CC=C(C=C1)Cl 1 2.451 1 3 -14.8166140566424 2371646 CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)O 1 2.621 1 4 -11.9434764587154 2371638 C1CCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)O 1 1.17 1 4 0 -7.62650160974361 2371635 CC1CCN(CC1)C(=O)COC(=O)C2=CC(=CC(=C2N)Cl)Cl 1 2.702 2 3 -10.5547848280411 2371634 CC1=CC(=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=CS2)C 1 3.715 1 3 -10.5424983309716 2371630 C1CCN(C1)C(=O)COC(=O)C2=CC(=CC(=C2N)Cl)Cl 1 1.994 2 3 0 -7.51120670996863 2371624 CN(C1CCCCC1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)N 1 2.727 2 3 -6.65179488405036 2371617 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4 1 5.357 2 4 -19.469239710291 2371608 C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)SC(F)F 1 5.734 2 0 -8.28969452776288 2371606 CC1=C(C=CC=C1Cl)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 4.38 4 1 -11.9837394809821 2371600 CCC1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3 1 5.066 3 0 -4.2563865256575 2371526 CC1=CC=CC(=C1O)C(=O)OCC(=O)N2CCCC2 1 1.656 1 4 0 -6.71526387946941 2371492 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 1.98 2 5 0 -19.5754081062919 2371466 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)NC4=NC5=CC=CC=C5S4 1 4.768 3 2 -2.43667125338234 2371433 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)CCC3=NC4=CC=CC=C4S3 1 3.826 3 3 -4.88666162135779 2371428 CSC(=NS(=O)(=O)C1=CC=C(C=C1)N)NS(=O)(=O)C2=CC=CS2 1 2.178 3 4 0 -6.69674433883397 2371427 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 2.66 2 4 -7.11032542759652 2371424 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=O)NC4=CC=CC=C43 1 2.648 3 4 0 -10.107328575189 2371420 CCNC(=O)C(=O)C1=C(C=C2N1C=CC=C2)C3=CC=CC=C3 1 2.915 2 2 -8.24730534451941 2371418 C1=CC=C(C=C1)C2=C(N3C=CC=CC3=C2)C(=O)C(=O)NCCCO 1 2.089 2 3 -8.65236593774681 2371396 C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=NC5=CC=CC=C5S4 1 4.239 5 1 -14.1270174730627 2371364 COC1=CC(=C(C=C1)OC)/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.542 1 7 0 -10.887589495234 2371360 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 1.292 3 5 0 -12.468858576332 2371340 C1=CC=C(C=C1)/C=C/C=NNC2=CC(=C(C=C2)Cl)C(=O)O 1 4.103 2 2 2.76233127966409 2371304 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=NC4=CC=CC=C43 1 2.88 3 3 -12.2740476360157 2371253 C1CCCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 5.022 2 6 0 -15.9846798661733 2371290 C1=CC(=CC(=C1)C(F)(F)F)C=NNC(=O)C(=O)N 1 1.109 3 2 0 -0.623668937596979 2371287 C1CCC(CC1)NC(=O)CON=CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.508 3 4 0 -7.34760679957249 2371278 COC1=C(C=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])OC 1 2.651 2 7 0 -11.5994839463572 2371274 COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC=C2Cl)F)OC 1 3.158 1 5 -14.0719884829748 2371267 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CC(=C2)OC)OC 1 2.494 1 5 -10.8473865911904 2371239 C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl 1 4.877 1 3 -8.74577979679734 2371172 C1CN(CCN1C(=O)COC2=NC=NC3=CC=CC=C32)C(=O)C4=CC=CO4 1 1.453 4 4 0 -4.78639499043434 2371113 C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)C2=C(C=C(C=C2)F)F 1 2.611 2 3 -7.80326447374689 2371103 COC1=CC=C(C=C1)CCNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F 1 2.794 1 5 -13.8239985556567 2371101 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.02 3 7 0 -19.6015916076855 2371088 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC(=O)N 1 1.779 2 3 0 -12.6367191296056 2371085 COC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=CC=C3F)/C#N 1 4.677 2 3 -12.5907997028424 2371080 C1CCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.97 2 5 0 -10.9708043750554 2371073 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43 1 2.891 3 3 -11.1056007922713 2371061 CC(=O)NCC(=O)OCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31 1 1.788 2 4 0 -7.79478136487249 2371058 C1C(=C(C(=O)O1)C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(S3)Cl 1 3.652 1 4 0.303076378234025 2371039 CN(C1=CC(=C(C=C1OC)OC)Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CO3 1 2.835 2 8 0 -27.2515778935118 2371036 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl 1 2.265 2 6 0 -23.8968988040481 2371018 CCOC(=O)CC(=O)C1=C(C2=C(S1)N(C(=O)NC2=O)C3=CC=C(C=C3)OC)N 1 1.786 3 6 0 -8.58247642093584 2370980 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)NC4=CC=CC=C4 1 4.009 2 3 -10.160978143186 2370939 CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3Cl)Cl)S(=O)(=O)N)C4=CC=CC=C41 1 4.403 3 5 0 -7.9045119417103 2370927 C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=CO3 1 3.15 3 2 -15.1258531678768 2370925 C1=COC(=C1)C(=O)NC2=NNC(=S)S2 1 2.276 3 2 -8.17831951169523 2370916 CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=O)NC2=O 1 2.425 3 3 -13.600889938334 2370900 CC1=CC(=NN1CCC2=NC(=CS2)C3=CC4=CC=CC=C4O3)C 1 3.93 3 1 2.34844572419549 2370832 CCOC1=CC=C(C=C1)N2C(=O)CN(C2=S)C3=CC=CC4=CC=CC=C43 1 5.164 2 2 -3.42658461880928 2370829 CC1=CC=CC=C1N(CC2=NN=C3N2CCCCC3)C(=O)NC4=CC=CC=C4 1 3.99 5 1 -13.9505956520623 2370808 CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC#N)C)C3=CC=C(C=C3)C#N 1 3.019 5 2 0 -9.33406663678421 2370782 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=CC4=C(C=C3)OCO4)C 1 2.323 5 3 0 -11.347671608344 2370763 C1=CC(=CC=C1COC(=O)C2=CC(=C(N=C2)Cl)Cl)Br 1 4.404 1 2 -3.18712876497002 2370760 COC1=CC=C(C=C1)CNC(=O)COC(=O)CC2CCCC2 1 2.563 1 4 -13.475862002548 2370754 C1=CSC(=C1)C(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.072 1 5 -13.0811723914934 2370753 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 1 2.943 2 3 -14.8576851090742 2370747 CCN(CC)C1=CC=C(C=C1)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 1 3.796 3 3 -14.884806364243 2370738 COC1=CC(=CC(=C1)C2=NC(=S)N3C=CSC3=N2)OC 1 3.028 3 2 -6.34579353655135 2370685 C/C=C/C(=O)OCC(=O)NC1=CC(=C(C=C1)OC)Cl 1 2.405 1 4 -7.11358573047891 2370680 CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)COC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-] 1 3.83 4 7 0 -20.6430585347541 2370673 CN(CC1=CC=CC=C1)C(=O)COC(=O)/C=C/C2=CC=CO2 1 2.397 1 4 -8.89265432807173 2370662 CCC1=CC=C(C=C1)OCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 2.508 1 6 0 -11.8181839431417 2370646 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=C(C=CC=C2F)F)OC(F)F 1 3.538 1 4 -11.0047657972803 2370631 CC(C)CNC(=O)COC(=O)CC1=CC=C(C=C1)Cl 1 2.636 1 3 -11.2505532174814 2370618 C1=CC=C(C(=C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)SC(F)F)F 1 3.925 1 3 -11.1035962927022 2370583 CC1CCN(CC1)C(=O)COC(=O)C2=CC=C(O2)Br 1 2.083 1 4 -12.744030347664 2370579 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2CCCC2)N 1 0.248 3 5 0 -14.9909196537778 2370561 C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.852 4 5 0 -9.97010137467333 2370548 CC(C)CNC(=O)COC(=O)/C=C/C1=CC=CO1 1 1.799 1 4 0 -10.8246455559945 2370545 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)CC3=CC=CC=C3)OC 1 3.267 2 5 0 -8.25391938765132 2370513 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(\C#N)/C(=O)NCC2=CC=C(C=C2)Cl 1 3.487 3 3 -12.0061135303223 2370501 CC(=C)CNC(=S)NN=CC1=CC=C(C=C1)[N+](=O)[O-] 1 3.189 4 2 -10.7841999154623 2370498 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC=C2OC)OC 1 2.494 1 5 -9.36471350165511 2370496 CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2CCCCCC2 1 3.221 2 3 -13.8632182798893 2370495 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2CCCCC2)N 1 0.704 3 5 0 -15.3453881679459 2370487 CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CC=C2)N(C)C 1 3.416 2 3 -14.1397427881079 2370481 CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCCC2 1 1.574 2 3 0 -12.1676620994954 2370479 COC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3)OC 1 2.109 1 7 0 -17.2504450419864 2370446 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2CCCCC2 1 1.998 1 4 0 -14.1517169160728 2370442 CN(C1CCCCC1)C(=O)COC(=O)C2=CC(=C(C=C2OC)N)Cl 1 2.71 2 4 -10.2873785826104 2370425 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 3.459 3 4 0 1.32416654493617 2370424 CC1=C(SC=C1)C(=O)NC2=NC=CS2 1 2.051 2 1 -7.43933782584445 2370418 COC1=CC(=CC(=C1O)OC)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2 1 2.974 2 4 -12.7650403915368 2370402 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 1.239 3 8 0 -23.0321007570223 2370401 CNC(=S)NN=CC1=C(C=CC=C1Cl)Cl 1 3.56 3 0 -7.48156224647106 2370377 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 3.086 2 5 0 -9.52601312560133 2370376 CN(C1CCCCC1)C(=O)COC(=O)C2=CC3=C(C=C2)OCCO3 1 2.595 1 5 -14.4711468685676 2370375 C1CCN(C1)C(=O)COC(=O)C2=CC=CC=C2OCC3=CC=CC=C3 1 2.979 1 4 -10.3481826830282 2370325 CC1=CC(=O)NC(=C1C#N)SCC(=O)NC2=CC=CC3=CC=CC=C32 1 2.729 3 2 -17.509518303467 2370271 CC1=CC(=NN1CCC2=NC(=CS2)C3=CC=C(S3)Cl)C 1 3.747 3 0 0.909824817245087 2370269 CC1=CC(=NN1CCC2=NC(=CS2)C3=CC=C(C=C3)C(C)(C)C)C 1 4.735 3 0 1.12039485301036 2370267 CC1=CC(=NN1CCC2=NC(=CS2)C3=CC4=C(C(=CC=C4)OC)OC3=O)C 1 3.349 3 3 -5.51302073442983 2370259 C1COCCN1C2=CC=C(C=C2)C=NNC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.74 5 4 0 -21.0445885077209 2370250 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN=CC3=CC(=CC=C3)OC4=CC=CC=C4 1 4.451 4 4 0 -19.2373435945791 2370247 CN(C1=CC=C(C=C1)O)C(=S)NC(=O)C2CC2 1 2.971 2 2 -5.65982411483377 2370246 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN=CC3=CC=C(C=C3)C#N 1 2.769 5 3 0 -24.433301661302 2370234 CC1=CC(=NN1CCC2=NC(=CS2)C3=CC=CS3)C 1 3.288 3 0 -3.70928663713065 2370229 C1COCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 1.419 2 4 0 -8.94224513308657 2370225 CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 4.998 3 1 -5.96514223548709 2370216 C1CCN(CC1)C(=O)COC2=C(C=C(C3=C2N=CC=C3)Br)Br 1 3.679 2 2 -3.5422097098947 2370212 CN(C(=S)NC1=CC=C(C=C1)OC)NC(=S)NC2=CC=C(C=C2)OC 1 4.85 4 2 -8.47656319875127 2370211 CCOC1=CC=C(C=C1)NC(=S)NN(C)C(=S)NC2=CC=C(C=C2)OCC 1 5.547 4 2 -9.24278635045929 2370201 C1=CC(=CC=C1NC(=S)NN2C=NN=C2)OC(F)F 1 2.441 5 1 -4.21818203725842 2370198 C1CCC2=NN=C(N2CC1)CN(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F 1 3.709 5 1 -9.83271608038513 2370195 CC1=C(C(=CC=C1)C)NC(=S)NN=CC2=CC=C(C=C2)OCCC(C)C 1 6.622 3 1 -8.6050754930142 2370104 CC1=CC=C(C=C1)C(=O)NC(=S)NN2C=NN=C2 1 1.521 5 1 0 -9.20029316986924 2370102 C1=CC=C(C(=C1)NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl 1 5.699 4 0 3.41063416778232 2370094 COC1=CC(=CC(=C1)NC(=O)COC(=O)CC2=CSC=C2)OC 1 1.985 1 5 0 -13.8539119433495 2370070 CC1=NN(C(=C1/C=C\2/C3=CC=CC=C3NC2=O)Cl)C4=CC=C(C=C4)F 1 3.904 3 1 1.23157041127509 2370063 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(S3)Br 1 2.366 4 3 0 -9.35255580480344 2370057 COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=N2)OC 1 2.363 2 3 -15.1517992842527 2370049 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC=C(C=C3)OC 1 2.608 3 4 0 -9.71208193981264 2369987 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)Cl)O 1 2.53 1 6 0 -7.21786756924811 2370005 CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C(N=CC=C2)Cl 1 4.841 1 2 -2.80896664460497 2369981 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC 1 4.166 2 5 0 -10.9969273366978 2369979 COCCNC(=S)NN=CC1=CC=C(C=C1)[N+](=O)[O-] 1 1.995 4 3 0 -13.2503787176371 2369923 C1CCC(C1)NC(=O)COC(=O)C2=CC=CNC2=O 1 -4.7e-002 2 4 0 -15.2792993491943 2369915 CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC3=NCCS3 1 5.07 2 2 -8.79675728040577 2369902 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)C3=NNC(=O)NC3=O 1 6.9e-002 5 6 0 -18.7280803916694 2369894 C1C2=CC=CC=C2C(=NC(=O)C3=CC=CS3)N1C4=CC=C(C=C4)C#N 1 4.115 3 1 -8.72977788404551 2369892 COC1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)NC4=CC=CC=C4 1 4.174 3 2 -3.51489801987039 2369891 CC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC=CS4 1 3.976 2 2 -9.8187212651715 2369889 C1C2=CC=CC=C2C(=NC(=O)NC3=CC=C(C=C3)Cl)N1C4=CC=C(C=C4)C#N 1 4.734 4 1 -3.58060513442436 2369866 CC1=C(C=C(C=C1)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)C 1 4.202 4 1 -13.1968266397376 2369865 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3N)C(F)(F)F 1 1.539 5 3 0 -16.2585169467584 2369859 CN(CCC1=CC=CC=N1)C(=S)NC2=CC(=C(C=C2)Cl)Cl 1 5.273 3 0 -5.39769694667541 2369856 CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 4.937 3 1 -0.346979368050779 2369844 C1=CC(=CN=C1)NC(=S)NN=CC2=C(C(=C(C(=C2F)F)F)F)F 1 3.963 4 0 -4.16700290015768 2369755 CC1=CC=CC(=C1O)C(=O)OCC(=O)NCC(C)C 1 2.181 1 4 -10.0820273159864 2369751 CC1=CC(=C(O1)C)C(=O)OCC(=O)N2CCC3=CC=CC=C32 1 1.997 1 4 0 -15.8369415841428 2369734 COC1=CC(=C(C=C1C=NNC(=S)NCCN2CCOCC2)OC)OC 1 2.008 4 4 0 -13.7462726071595 2369727 CC(C)(C)C1=CC=C(C=C1)C=NNC(=S)NCC=C 1 4.248 3 0 -7.29788795829319 2369720 C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=C(C=CS3)C#N 1 2.77 4 1 -11.8954413347816 2369696 CN(C1CCCCC1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.475 1 4 -6.44631243617088 2369686 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2C 1 1.916 4 2 0 -14.1100600482468 2369682 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=CC=C(C=C3)OC 1 2.933 2 5 0 -17.6929371865393 2369673 CCOC1=CC=C(C=C1)C2=NN=C(O2)N 1 1.256 3 2 0 1.44945856251223 2369639 CC(C)(C)C1=NN(C(=C1)NC(=O)CCl)C2=CC=CC=C2 1 3.662 3 1 -6.57105123631653 2369627 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CC=C(C=C3)F 1 4.042 2 3 -12.8217295727895 2369619 C1CCC(CC1)NCC(=O)N2CCC3=CC=CC=C3C2 1 2.566 2 1 -7.02259868926144 2369615 CCOC1=C(C=CC=N1)C(=O)OCC2=CC=CC=C2 1 2.989 1 3 -8.51817039880691 2369608 C1=CC2=NC=C(C(=O)N2C=C1)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 1.579 3 2 0 -7.68365123636533 2369606 C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CCl)C3=CC=CC=C3 1 3.78 3 1 -2.55359321327939 2369594 CC1=CC=C(O1)C=NNC(=S)NC(C)C 1 2.498 3 1 -9.79970470151429 2369570 CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 6.827 4 1 -10.1253023749048 2369535 COC1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.681 2 6 0 -17.6747719899947 2369515 C1C2=CC=CC=C2C3=NC(=NN31)CC(=S)N 1 1.48 4 0 0 -0.563153067223486 2369512 COC(=O)C1=CC=C(C=C1)CSC2=NN=CN2N 1 1.224 4 2 0 -12.4810893403675 2369508 CCOC(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC 1 1.653 1 6 0 -8.27683919284689 2369503 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 1.182 3 6 0 -10.1981910505103 2369482 C1=CC=C(C=C1)COC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 3.514 1 5 -6.27761607491915 2369474 C1COC2=C(O1)C=CC(=C2)C=NN3C(=O)CSC3=S 1 2.581 2 3 -8.34367090679174 2369463 C1=CC=C(C=C1)C2=CC=C(C=C2)/C(=C/C3=CC=CC=C3OC(F)F)/C(=O)O 1 5.73 0 3 1.56779417682927 2369459 C1=CC=C(C=C1)OC2=CC=C(C=C2)OCC(=O)O 1 2.855 0 4 -3.36158874604267 2369444 CCN1C(=C2C=C(N(C(=C2)C)CCO)C)C(=O)SC1=S 1 2.547 2 2 -5.32761298393514 2369439 CC1=CC(=C(C(=N)O1)C#N)C 1 1.177 2 1 0 -3.72546155863789 2369402 COC1=CC(=C(C=C1)OC)/C=C/C(=O)NC2=NCCS2 1 2.537 2 3 -11.4818297605047 2369356 CC1=CC=NC2=NC(=NN12)C(=O)NC3=NC4=CC=CC=C4S3 1 2.035 6 1 0 -7.92359448619324 2369268 CC1=CC=C(S1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.195 1 5 -14.4993284626351 2369264 CCOC1=CC=CC=C1NC(=O)C2=CC(=COC2=N)C(=O)C3=C(C=CC(=C3)Br)O 1 3.326 2 5 0 -5.23447771333572 2369222 COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=C(\C#N)/C(=O)NCC=C 1 3.384 2 4 -19.4155108783057 2369203 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)Cl)Br 1 4.885 1 3 -7.53766035705262 2369195 COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CC2=CSC=C2 1 1.88 1 5 0 -17.7320649395406 2369173 COC1=C(C=CC(=C1)C=NNC(=O)C(=O)N)OC(=O)C2=CC=CS2 1 1.536 3 5 0 -13.9633622708278 2369157 CCOC1=CC=C(C=C1)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Cl)O 1 3.416 2 4 -4.37474390776256 2369153 CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C(=O)NCCC3=CC=C(C=C3)OC)CCC4=CC=C(C=C4)OC 1 4.435 2 6 0 -5.47178792795746 2369118 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3C(=O)NC4=O 1 1.019 3 5 0 -23.6574152451899 2369102 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C=C(C)C 1 3.176 1 3 -7.26445144897022 2369101 CCN1C(=O)C(=C2C=C(N(C(=C2)C)CC3=CC=CO3)C)C(=O)N(C1=S)CC 1 2.805 3 3 -4.40505439382054 2369028 CCOC(=O)NN=CC1=C(N(N=C1C)C2=CC=CC(=C2)C(F)(F)F)Cl 1 3.921 4 2 1.3971532726288 2369032 C1CCC2=C(C(=O)N(C(=S)N2CC1)C3=CC=CC=C3)C#N 1 3.777 3 1 -10.0565604895832 2369039 C1CCC2=C(C(=O)NC(=O)N2CC1)C#N 1 0.571 3 2 0 -11.6611906449886 2369040 C1CCC(=NCC1)NC2=C(C=CC(=C2)F)F 1 2.789 2 0 -3.60959194749799 2369043 C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3 1 2.089 1 5 -11.4330813555508 2369052 CC(C)NC(=S)NN=CC1=C(N=C(S1)N2CCCCC2)C3=CC=CS3 1 4.606 5 0 -8.46013595810447 2369055 C1OC2=C(O1)C=C(C(=C2)C=NNS(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-] 1 2.797 3 6 0 -4.17119168446765 2369091 COC1=CC=CC=C1NC2=CC=C(C=C2)N 1 2.617 2 1 1.7579256537675 2369090 COCCOC(=O)C1=CC(=COC1=N)C(=O)C2=C(C=CC(=C2)Cl)O 1 1.849 1 6 0 -1.62752382765497 2369083 CCOC(=O)C1=CC(=COC1=N)C(=O)C2=C(C=CC(=C2)F)O 1 1.87 1 5 0 -1.08885107491621 2369074 COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)N 1 2.573 3 4 0 -11.8794255928961 2369071 CCN1C(=C2C=C(OC(=C2)C)C)C(=O)SC1=S 1 3.004 1 2 -6.10115691361082 2369069 CCN1C(=C2C=C(N(C(=C2)C)CC3=CC=CO3)C)C(=O)SC1=S 1 3.852 2 2 -6.38391021937172 2369063 C1CCC2=C(C1)[N+](=C(S2)N)CCCS(=O)(=O)[O-] 1 -1.01 2 3 0 -9.53836002851523 2369059 CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 5.387 1 6 0 -9.28148671348202 2369016 COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CS2)NS(=O)(=O)C3=CC=CS3 1 2.233 2 6 0 -8.3694365243043 2369008 CCN(CC)CCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=CC=C(C=C2)Cl 1 3.69 3 3 -8.59635511288814 2369003 COC1=CC=C(C=C1)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Cl)O 1 3.068 2 4 -3.60852075605454 2368997 CN(C)C1=CC=C(C=C1)C=NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.622 3 2 -8.25257165060435 2368968 C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC=NC4=C3C=CS4 1 2.708 4 1 -10.3035566545807 2368951 COC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)CCN3CCOCC3 1 0.653 3 5 0 -9.7551706123654 2368948 CC1=CC=CC=C1N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Cl)O 1 3.57 2 3 -1.84264523062185 2368943 CC(C)(CNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)CN(C)C 1 2.369 4 3 0 -23.9143552192912 2368937 CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)Br 1 4.235 3 1 -7.00578713565009 2368935 CC(=O)NC1=CC=C(C=C1)NCC(=O)C2=CC=CC=C2 1 2.015 2 2 -8.64667574976708 2368895 COC(=O)NN=CC1=C(N=C(S1)N2CCCCC2)C3=CC=CS3 1 3.31 4 2 -4.83858087557481 2368894 CC1=NN(C(=C1C=NNC(=S)NC)Cl)C2=CC(=CC=C2)Cl 1 3.864 5 0 -0.385692216122676 2368881 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)F)Cl 1 3.807 4 6 0 -8.39560293838441 2368871 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC=C2F)F 1 1.853 2 4 0 -11.715369994898 2368804 CC1=CC=C(C=C1)NC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C 1 4.268 2 1 -5.49927014402814 2368783 CN(CC(=O)NC1=C(C=CS1)C#N)C2CCCCC2 1 2.48 3 1 -13.3028356695999 2368779 COC1=CC=C(C=C1)NC(=O)COC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3 1 2.12 2 5 0 -15.3168942575255 2368778 C1COCCN1CC(=O)NC2=C(C=CS2)C#N 1 0.309 3 2 0 -12.1861461225617 2368765 CC1=CC=C(C=C1)S(=O)(=O)N=C2C=CC(=CN2C(F)F)Cl 1 2.324 2 2 -3.87087318395138 2368754 CCN1C(=O)C(=C2C=C(OC(=C2)C)C)C(=O)N(C1=S)CC 1 1.956 2 3 0 -4.12230108805964 2368753 C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=CSC(=N4)C5=CC=CC=C5 1 4.558 5 1 -12.0494585618424 2368724 CS(=O)(=O)C1=CC2=[N+](ON=C2C(=C1)[N+](=O)[O-])[O-] 1 -1.871 3 6 0 -3.75053586118291 2368723 C1=CC=C(C=C1)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Cl)O 1 3.084 2 3 -3.45685774205263 2368692 CCN(CC1=CC(=O)N2C=CSC2=N1)C3=CC=CC4=CC=CC=C43 1 3.114 3 1 -12.8800832721787 2368667 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.605 3 7 0 -26.8556796418821 2368615 C1CN(CCN1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4 1 0.483 5 3 0 -7.78595776529016 2368608 CCCCC(=O)OCC(=O)NC1=CC=C(C=C1)OC(F)F 1 3.042 1 4 -10.2869282023141 2368599 C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.436 2 3 1.4458325803189 2368598 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CCCC3=CNC4=CC=CC=C43 1 3.33 2 5 0 -16.5155107424911 2368588 CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 4.687 2 2 -5.79607422075614 2368571 C1CCC(CC1)NC(=O)/C(=C/C=C/C2=CC=CC=C2[N+](=O)[O-])/C#N 1 3.565 3 3 -9.42962426315944 2368565 C1CN(C2=CC=CC=C21)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.478 2 3 -17.8657067121861 2368552 C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NC4=CC=CC=C4N3 1 3.978 3 1 -9.39191333907824e-002 2368507 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl)OC(F)F 1 3.943 2 4 -12.6889061823137 2368506 CC1=NNC(=NC1=O)SCC(=O)N(C)CC2=CC=CC=C2 1 1.401 4 2 0 -18.6172997084264 2368501 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3 1 0.995 4 1 0 -1.98306876997067 2368480 C1=CC=C2C=C(C=CC2=C1)SCC(=O)NC3=CC=NC=C3 1 2.765 2 1 -3.90184317285957 2368463 COCCNC(=O)/C(=C/C=C/C1=CC=CC=C1[N+](=O)[O-])/C#N 1 1.576 3 4 0 -13.0491128999534 2368427 CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4 1 3.825 2 4 -7.17470211667697 2368426 CC1=CC(=C(C=C1)N2C=C(NC2=S)C3=CC=C(C=C3)[N+](=O)[O-])C 1 4.702 3 2 -1.52937571660986 2368420 COCCOC(=O)C1=CC(=COC1=N)C(=O)C2=C(C=CC(=C2)F)O 1 1.39 1 6 0 -3.15446086765091 2368407 C1=CC=C(C=C1)CCNC(=O)C2=CC(=CN(C2=O)CCC3=CC=CC=C3)C(=O)C4=C(C=CC(=C4)Cl)O 1 4.646 2 4 -4.14686825545976 2368397 C1=CC=C(C=C1)C2=CN(C(=S)N2)N=CC3=CC=CC=C3Br 1 4.155 3 0 -0.578283247911076 2368394 COC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)OC 1 2.091 1 7 0 -15.805143888418 2368379 CCCCNC(=S)N(C)N=CC1=C(N=C(S1)N2CCCCC2)C3=CC=CS3 1 5.414 5 0 -7.67728082601815 2368370 CC1=NN(C(=C1C=NN2C=NN=C2)OC3=CC=C(C=C3)F)C4=CC=CC=C4 1 3.444 6 1 0 4.43487457767714 2368368 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.744 4 3 0 -8.49021048170246 2368354 CCNC(=S)NN=CC1=C(N(N=C1C)C2=CC(=CC=C2)Cl)Cl 1 4.212 5 0 -0.695097149109927 2368291 C1=CC=C2C(=C1)C(=NC=N2)OCC3=CC=C(C=C3)Br 1 4.242 2 1 4.57559850179277 2368352 CC1=CC=C(O1)C=NN2C=NC3=C(C2=O)C(=C(S3)C)C 1 2.56 3 2 -6.77962255197683 2368324 CC1=CC=C(C=C1)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Cl)O 1 3.57 2 3 -3.1955545469104 2368280 CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)CC3=CC=CC=C3 1 2.913 2 3 -2.93964282681119 2368269 CCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)Br)O 1 2.92 2 3 -3.33887263197137 2368235 COC1=CC=CC=C1NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3 1 2.452 2 6 0 -21.2822724782095 2368229 CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC 1 2.346 2 5 0 -16.548887108935 2368214 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC5=C4C(=CC=C5)C3=O 1 4.498 4 2 -5.47069802025799 2368202 CC1=CC=CC=C1NC(=O)CSC2=NN=NN2C 1 1.346 5 1 0 -21.7788713311975 2368158 CN(C(=S)NC1=CC=C(C=C1)OC(F)F)NC(=S)NC2=CC=C(C=C2)OC(F)F 1 6.493 4 2 -6.072653165202 2368141 CC1=CC(=C(C=C1)C(C)C)OCC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 5.56 2 4 -5.47804008118222 2368122 C1=CC=C(C=C1)C2=NN(C=C2C=NN3C=NN=C3)C4=CC=CS4 1 3.005 6 0 7.19479640266787 2368110 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)Cl 1 2.816 1 6 0 -9.14137205034732 2368087 CC1=CC(=C(N1C2=CC=CC=C2)C)C3=NN=C(O3)SCC(=O)NC4=CC=CC=C4C(F)(F)F 1 4.958 4 2 -16.7622444325583 2368077 CC1=NC(=NC=C1)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.126 5 2 0 -23.5855368624623 2368070 CCOC(=O)C1=CC(=COC1=N)C(=O)C2=C(C=CC(=C2)Cl)O 1 2.329 1 5 0.438085965079735 2368057 COC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)CC3=CC=CC=C3 1 2.41 2 4 -5.10906007868028 2368049 CC1=CC(=CC=C1)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Cl)O 1 3.57 2 3 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CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C 1 3.321 2 4 -15.3065071628394 2367920 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=CC=CC=C2Cl 1 2.381 1 4 -11.0642505146157 2367886 CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=NC=CN=C3)C 1 2.013 4 5 0 -15.1963127253847 2367859 C1=CC2=C(C(=C1)N)C(=O)N(C2=O)C(=O)C3=CC=CO3 1 0.959 2 4 0 -4.65863565712653 2367818 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=C(C=CC=C3F)F 1 3.899 2 3 -10.7013236790232 2367813 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC=C3F 1 3.26 1 2 -13.6670929914455 2367787 COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CNC5=CC=CC=C54 1 5.346 3 3 -14.1416499879705 2367744 COC1=C(C=C(C=C1)C=NN2C=C(NC2=S)C3=CC=CC=C3)O 1 3.148 3 2 1.77315769563324 2367724 C1COCCN1CCNC(=S)NN=CC2=C3C=CC=CC3=CC4=CC=CC=C42 1 3.874 4 1 -7.02436393802497 2367722 CC1=NC2=CC=CC=C2N=C1OCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.994 4 2 -3.01314310336733 2367711 CC(C)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=N2 1 3.032 2 2 -4.54414417836439 2367708 CC1=C(C(=O)N(N1)CCC#N)CC(=O)N2CCN(CC2)C3=CC=CC=C3 1 0.453 5 2 0 -9.90336169999825 2367632 C1CN(CCC1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 1.882 3 5 0 -21.5545938679903 2367621 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)NC3=CC=C(C=C3)C(C)C 1 3.867 1 6 0 -13.3138637696316 2367587 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CNC(=O)C=C4 1 2.623 3 4 0 -4.54259985013481 2367581 CSC1=NC(=O)C=C(N1)NS(=O)(=O)C2=C(C=CC(=C2)Br)Br 1 3.12 3 3 -9.23607844439594 2367550 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3O 1 3.876 1 4 -8.53276510513821 2367525 CC1=CC(=C(O1)C)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 2.387 1 4 -13.1872391783655 2367447 CCOC1=C(C=CC(=C1)/C=C/C(=O)O)OCCOC2=CC=C(C=C2)F 1 4.081 0 5 -3.3867633247565 2367439 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2 1 0.572 2 4 0 -20.6515944412766 2367424 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=C(C=CC=C3Cl)F 1 2.601 1 5 -11.5609806814723 2367407 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)F 1 3.182 2 3 -19.8324191688383 2367403 C1=CC=C(C=C1)CNC(=S)NN=CC2=CC=C(C=C2)C(=O)O 1 3.444 3 2 -10.05410774241 2367399 COC1=CC=CC(=C1)C=NNC(=S)NCCC2=CC=CC=C2 1 4.119 3 1 -7.8053457964574 2367387 CN(CCC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC(=C(C=C2)F)Cl 1 3.698 2 3 -5.37507395673971 2367348 CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4 1 4.265 2 5 0 -10.5848508219682 2367263 COC1=CC=CC=C1N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Cl)O 1 3.068 2 4 -3.01492465868864 2367268 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OCC(=O)NCC2=CC=CO2 1 1.929 1 7 0 -14.9429113226106 2367377 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 1 3.149 2 3 -12.7517371360726 2367271 C1C(=O)NC(=S)N(C1=O)CC2=CC=CC=C2 1 1.641 2 2 0 -5.67847467792842 2367273 C1=CC(=C(C=C1CC2=NNC(=S)NC2=O)Cl)Cl 1 3.135 3 1 -11.2409726636086 2367305 C1CCC(CC1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3 1 2.389 1 5 -15.7330965837588 2367298 C1CCC2=C(C1)C=C(S2)C(=O)OCC3=C(N=C4N3C=CS4)Cl 1 4.165 2 2 -8.9575684673836 2367285 C1=CC=C(C=C1)C(=O)N/C=C/N2C=NC3=C2C=CC(=C3)C(F)(F)F 1 2.752 3 1 1.78643983471308 2367254 COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2=NC=CN=C2 1 0.76 3 4 0 -14.8772994607873 2367236 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.335 3 5 0 -14.3666616511405 2367229 CCOC1=C(C=CC=N1)C(=O)NC2=CC(=C(C=C2)F)F 1 2.746 2 2 -7.57568822696421 2367211 C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=CNC2=O 1 0.912 2 4 0 -17.9305307505905 2367183 C1CN(CC2=CC=CC=C21)C(=O)CN3C=NC4=CC=CC=C4C3=O 1 1.88 3 2 0 -14.4981252920156 2367182 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)NC3=CC=CC=C3Br 1 3.421 1 6 0 -15.0775644991899 2367178 C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC(=O)NC4=C(C=C(C=N4)Cl)Cl 1 3.334 4 4 0 -7.91454223906876 2367176 CN(C1=CC=CC=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.903 2 5 0 -17.3012637391752 2367163 C1=CC=C(C(=C1)C(=O)COC(=O)CCC(=O)C2=CC=CS2)F 1 3.055 0 4 -14.6771324973154 2367154 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)/C(=C/C3=CC=CS3)/C4=CC=CS4 1 5.794 1 3 -13.9069299990149 2367151 C1=CC=C2C(=C1)N=C(O2)SCC3=NC4=CC=CC=C4S3 1 4.299 2 1 0.32040423339526 2367143 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 0.848 2 7 0 -20.1697015422067 2367137 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCCC2=CNC3=CC=CC=C32)N 1 1.483 4 5 0 -21.8207992302744 2367131 C1C(=O)NC2=CC=CC=C2N1C(=O)OCC3=CC=CC=C3 1 2.189 2 3 -11.5247305766483 2367113 CC1=CC=C(S1)C(=O)OCC(=O)NCCC2=CCCCC2 1 3.171 1 3 -15.699973317278 2367096 C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)C3=C(C=CC(=C3)Br)O 1 3.741 1 4 -3.59135191107429e-002 2367074 C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CNC(=O)C3=CC=CC=C3F 1 3.129 2 3 -9.85383310689368 2367057 COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC(=O)C3=CC=C(C=C3)O 1 3.561 1 6 0 -18.2759949461893 2367049 CC1=NC=C(N=C1)C(=O)OCC(=O)NC(=O)NC(C)C 1 -0.339 4 4 0 -19.8911907194985 2367017 CN(CC1=CC=CC=C1)C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC 1 2.744 1 5 -6.42417035768953 2366984 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)F 1 1.922 1 4 0 -10.3530377605766 2366979 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=CC=CC=C2C#N 1 1.595 2 4 0 -13.6029505885482 2366976 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3 1 2.11 1 4 -6.6322864660836 2366966 CN(C1CCCCC1)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.368 2 5 0 -8.24029386669601 2366963 C1=CC=C2C(=C1)N=NN2OCC3=CC=C(C=C3)C#N 1 0.719 4 1 0 -1.30800215173837 2366957 C1=COC(=C1)CNC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.069 2 6 0 -12.5886851263273 2366935 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)/C=C/C3=CC=CC=C3 1 3.581 2 4 -4.31407654009968 2366932 COC1=CC=CC=C1NCCC(=O)OCC(=O)NC2CC2 1 1.127 2 4 0 -14.9022887414612 2366925 C1=CC(=CC=C1C#N)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.662 4 4 0 -7.39706352796989 2366906 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC(=O)OCC3=C(C=CC=C3Cl)Cl 1 5.175 1 3 -8.29472874101024 2366902 C1CN(CCC1C(=O)OCC(=O)NC2=C(C(=C(C=C2)F)F)F)S(=O)(=O)C3=CC=CS3 1 2.313 2 5 0 -17.521213379876 2366888 C1CCC(=CC1)CCNC(=O)COC(=O)/C=C/C2=CC=CC=C2 1 3.54 1 3 -12.4896410632593 2366879 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=C(N=CC=C3)Cl 1 1.826 2 4 0 -6.50588555034693 2366877 CC1=CSC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 2.877 4 1 -6.38199228708736 2366797 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CC=CO3)C(=O)O 1 0.64 3 5 0 -17.9230704973284 2366802 CC(C)CNC1=C(N(C(=O)NC1=O)CC(C)C)N 1 0.593 4 2 0 -9.79537278331133 2366805 CC(C)(C)C1=CC=C(C=C1)CC2=NNC(=S)NC2=O 1 3.207 3 1 -9.49583212680203 2366808 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC(=O)N4C=CSC4=N3 1 0.43 3 4 0 -9.70811719409608 2366816 CCC1(C(=O)N(C(=O)N1)CC(=O)NC(=O)NCC2=CC=CC=C2)CC 1 1.312 4 4 0 -10.4186527923113 2366824 CC1=CC=C(C=C1)CONC(=O)C2=CC=CC=C2 1 2.953 1 2 -0.45703245872006 2366866 CC1=CSC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 3.422 3 2 -5.30232789295916 2366862 C1=CC=C(C=C1)C2=NN=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-] 1 2.783 3 4 0 -5.2458407946144 2366847 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2)N 1 1.544 3 5 0 -15.7442384212845 2366835 CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3 1 3.796 2 3 -4.72634657154298 2365371 COC1=C(C=C(C=C1)C=NN2CCOCC2)OCC3=CC=CC=C3 1 2.802 2 3 -5.52417225587704 2365365 CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3 1 3.256 2 4 -8.8315230801676 2365359 CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=NN3CCOCC3 1 3.346 3 1 -4.09261061135394 2365358 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)NC3=CC=CC=C3F 1 2.878 1 6 0 -14.8521746132969 2365352 C1=CC(=CC=C1NC(=O)COC(=O)C2=CN=C(C=C2)Cl)S(=O)(=O)N 1 0.749 3 5 0 -16.5499150135573 2365341 CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.792 2 7 0 -17.4907733942411 2365335 C1=CC=C(C=C1)CNC(=O)COC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.103 1 3 -16.3975511675976 2365333 CC1=NC2=CC=CC=C2N(C1=O)CC(=O)NC3=CC(=CC(=C3)Cl)Cl 1 3.004 3 2 -6.8814290930223 2365329 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N 1 2.737 3 5 0 -32.4431844541177 2365328 C1CCCN(CC1)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.883 2 5 0 -8.16115591566137 2365321 CCC1=CC(=C(S1)NC(=O)CC2=CSC=C2)C(=O)OCC 1 3.114 1 3 -14.1857645944798 2365308 CCN=C1N(C(=CS1)C2=CC=CC=C2)N=CC3=CC=CC=N3 1 3.283 4 0 -1.91001266102245 2365302 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC(=C(C=C2OC)OC)OC)C)C 1 2.481 1 8 0 -14.1876102335528 2365301 CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CO3)C 1 4.033 2 4 -11.6933735732364 2365300 CC(C)C1=CC=C(C=C1)NC(=S)NNC2=CC(=C(C=C2)Cl)C(=O)O 1 5.528 3 2 -4.93296534219391 2365279 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NCCS4)OC 1 4.203 3 3 -15.0444196591864 2365274 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=CS3)OC 1 4.158 3 3 -7.07409487812772 2365271 CC1=C(N2C=CC=CC2=C1C=NNC(=S)NC)C(=O)C3=CC=C(C=C3)F 1 4.451 4 1 -8.49031204697248 2365268 CC(=O)N=C1C=CC(=NC(=C2C=CN(C=C2)O)O)C=C1 1 0.495 3 3 0 -3.58350717129426 2365263 CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2C(F)(F)F)/C#N 1 4.35 2 1 -10.4771808356103 2365251 C1=CC(=CC=C1C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl 1 3.041 3 4 0 -6.47467607485835 2365246 C1=CC=NC(=C1)C(=O)OCC(=O)NC2=C(C=CC=C2Cl)Cl 1 2.928 2 3 -9.34834719848686 2365243 C1=CC=C2C(=C1)C=C(O2)C(=O)N3C4=CC=CC=C4N=N3 1 3.684 3 2 2.00641800166905 2365237 CCOC1=C(C=CC=N1)C(=O)OCC2=CC=C(C=C2)C(=O)OC 1 2.845 1 5 -10.0239656166914 2365191 CC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl 1 4.667 2 3 -3.33701802109403 2365216 COC1=CC(=CC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OC 1 3.13 1 6 0 -7.5927047737716 2365213 C1COC2=C(O1)C=CC(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 3.436 1 5 -10.9568857504267 2365203 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 1.726 3 6 0 -14.6942535964651 2365200 C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=CC=C2OC(F)F 1 2.962 1 5 -11.0724335808553 2365177 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)N 1 1.976 3 6 0 -17.7856965018568 2365164 COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NC2CC2 1 1.76 1 4 0 -8.87604564367236 2365151 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC=CC=C3NC(=O)C4=CC=CO4 1 2.276 2 7 0 -20.1846532278886 2365118 C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=C(N=CC=C3)Cl 1 2.332 2 3 -12.370326773637 2365094 CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC=NN2 1 2.99 4 1 -13.9248902925349 2365093 C1=CC(=NC(=C1Cl)C(=O)OCC(=O)C2=CC=C(S2)Cl)Cl 1 4.169 1 3 -8.01110383588387 2365090 C1CCN(CC1)C(=O)/C(=C/C2=CC(=CC=C2)Br)/C#N 1 3.216 2 1 -8.55568089203268 2365088 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4N3 1 2.851 3 3 -10.7618695063975 2365086 CCN(CC1=CC=CC=C1)C(=O)CSC2=NC=NN2 1 1.871 4 1 0 -18.078308436385 2365066 CC(=O)NC1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.608 4 5 0 -25.2798705308879 2365065 C1CC1NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 1.143 1 4 0 -18.3354149619991 2365040 COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC=CC=C3F)OC 1 3.968 2 3 -10.7710087958566 2365025 C1CC1NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CS3 1 2.288 2 4 -18.2078990645319 2365011 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(N=CC=C3)Cl 1 3.124 3 3 -7.10544331595876 2365009 CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4 1 4.631 2 5 0 -13.4763598432084 2364971 C1CCC(CC1)NC(=O)NN=CC2=CC(=CC=C2)F 1 3.078 3 1 -4.80800623635518 2364925 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3 1 2.35 2 5 0 -19.1585709073052 2364899 C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=NC=CN=C3 1 1.673 3 2 0 -4.53498326380933 2364894 C1COCCN1S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC=C(C=C3)C#N)/C(=O)O 1 2.167 2 5 0 -17.236430489539 2364878 C1=CC(=CC(=C1)Br)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F 1 3.603 1 3 -11.1782107896692 2364854 CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NCC3=CC=CO3 1 4.044 2 4 -14.0319868070506 2364839 CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 1 4.218 1 4 -12.7779239983001 2364835 CCCCNC(=S)N(C)N=CC1=CC=CC=C1C(=O)O 1 3.395 3 2 -10.8225046224403 2364829 CC1=CC=CC(=C1)C(=O)OCC(=O)NCC2=CC=CS2 1 2.554 1 3 -15.6913068359669 2364807 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 2.396 4 1 1.48810717317476 2364789 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC=C(O3)Br 1 3.021 1 4 -11.6272966681652 2364780 CCNC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.367 2 7 0 -16.8244176954053 2364754 CC1=C(C(=NO1)C)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC)Cl 1 3.492 2 6 0 -21.7627762322487 2364708 CCN(C1CCCCC1)C(=O)COC(=O)/C=C/C2=CC=CC=C2 1 3.626 1 3 -7.14041937212704 2364707 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)COC3=CC4=CC=CC=C4C=C3 1 3.857 2 5 0 -5.08865220607998 2364705 C1=CSC(=C1)CNC(=O)COC(=O)C2=CC=CS2 1 2.022 1 3 -16.2507009717793 2364688 CC1=C(C(=NO1)C)COC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3 1 3.504 1 4 -9.88696131565654 2364643 C1=CC(=CC=C1CNC(=O)/C(=C\C2=CC=C(C=C2)O)/C#N)Cl 1 3.35 2 2 -7.77518892199979 2364642 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCCC(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.774 3 5 0 -15.5944732609938 2364636 COC(=O)C1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.702 1 5 -9.28115534856022 2364625 C=CCN=C1N(C(=CS1)C2=CC=CC=C2)N=CC3=CC=CC=N3 1 3.551 4 0 -3.86748526065894 2364621 COCCNC(=O)/C(=C/C1=CC(=C(C(=C1)Br)O)OC)/C#N 1 1.704 2 4 0 -12.6060089745379 2364571 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F 1 2.407 2 8 0 -14.2367932216936 2364563 COC1=CC(=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)OC 1 1.168 2 6 0 -7.28978753304149 2364552 CNC(=O)COC(=O)CC1=CC=C(C=C1)Cl 1 1.444 1 3 0 -8.58935134353873 2364550 C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)O)COC(=O)C3=CC=C(C=C3)O 1 4.223 0 6 -1.65894969773102 2364535 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3 1 1.646 2 5 0 -28.9675864180616 2364533 CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CS2)C 1 3.041 1 3 -15.6950513820666 2364524 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CS3)Cl 1 2.311 2 5 0 -28.7011880622793 2364522 C1=CSC(=C1)CNC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 1.977 1 4 0 -21.1714599056559 2364511 C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=CC=C2O 1 2.864 1 4 -11.5791742782129 2364510 CC1=CC(=C(C=C1)C(=O)OCC(=O)NCC2=CC=CS2)C 1 3.041 1 3 -12.8206136361762 2364508 C1CCC(C1)(C2=CC(=CC=C2)F)C(=O)OCC(=O)NCC3=CC=CS3 1 3.729 1 3 -11.1120952183188 2364486 C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N)F 1 2.451 2 3 -11.5166906364406 2364469 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)Br 1 3.06 1 4 -12.111471086198 2364467 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 3.84 2 5 0 -12.9037636889639 2364461 CCOC1=CC(=C(C=C1)C(=O)CC2=CC3=C(C=C2)OC(=C3)C(=O)O)O 1 3.584 0 6 2.82742935253638 2364458 CC(=CC(=O)OCC(=O)NC1=C(C=C(C=C1)F)Cl)C 1 3.073 1 3 -4.61599340226354 2364456 C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)N 1 1.675 3 5 0 -9.25194873041114 2364455 C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)Br)F 1 3.282 1 3 -11.0576708002236 2364451 COC1=CC=CC(=C1OC)/C=C/C(=O)OCC(=O)NCC2=CC=CO2 1 1.945 1 6 0 -12.4608110101421 2364415 CC(C)CC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)Cl 1 3.771 2 3 -11.0358166319533 2364346 CC1CCN(CC1)CCCOC2=C(C=C(C=C2)Cl)Br 1 4.596 1 1 4.57693724865479 2364331 CC1CCN(CC1)CCOC2=C(C=CC(=C2)Cl)Cl 1 4.45 1 1 1.37826229810249 2364329 CC1CCN(CC1)CCCOC2=C(C=C(C=C2)Br)Cl 1 4.596 1 1 3.00447475132126 2364319 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)NCCC2=CC=CC=C2 1 3.101 1 4 -9.61619017176836 2364293 CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.266 2 4 -18.6119278415674 2364238 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3)C 1 5.303 2 3 -5.08594017492439 2364229 COC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.435 2 4 0 -12.3171180752033 2364208 C1=CC=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=CC=CO2 1 2.512 1 4 -10.4070487892076 2364189 C1CCCC(CC1)NC(=O)CCC(=O)C2=CC=CS2 1 3.261 1 2 -13.0912766062967 2364145 COC1=CC(=C(C=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CO2)OC 1 1.945 1 6 0 -11.7084329769149 2364141 CC1=CC=NC2=NC(=NN12)C(=O)OCCOC3=CC=CC=C3 1 2.112 4 3 0 -12.3943008046642 2364135 CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NCC3=CC=CO3 1 3.132 2 4 -14.0014713991858 2364133 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.559 2 6 0 -11.2120838252164 2364121 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2 1 2.002 3 4 0 -11.5498191569343 2364061 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3 1 2.745 2 6 0 -24.4800862655492 2364058 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC=CS3)Cl 1 1.081 3 4 0 -21.2898863685498 2364043 CNC(=O)COC(=O)CCC(=O)C1=CC=CS1 1 0.653 1 4 0 -17.1862826781805 2364034 CN1C2=CC=CC=C2SC1=NN=CC3=CC=C(C=C3)N4CCOCC4 1 3.86 4 1 -3.11526178484103 2364031 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)NCC2=CC=CS2)C 1 2.876 1 4 -15.8712260826586 2364026 CC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=CS2 1 2.554 1 3 -14.9831386133514 2364024 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=CS2 1 1.963 2 5 0 -19.2994228866596 2364009 C1CCC(CC1)NC(=S)NN=CC2=CC(=CC=C2)C(F)(F)F 1 5.032 3 0 -2.21639261837317 2363992 COC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NCC2=CC=CS2 1 1.112 2 5 0 -19.5690343028899 2363980 CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N)C4=CN=CC=C4 1 1.877 7 3 0 -17.4681696581863 2363979 C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC=CC=N3 1 3.037 3 1 -6.02729091834772 2363973 C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CC=C4 1 3.221 1 7 0 -18.8191075425131 2363957 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3 1 1.906 2 5 0 -28.2526810248016 2363952 CC1=C(C(=NO1)C)COC(=O)C2=CC(=CC=C2)N(C)C 1 2.313 2 3 -15.0165742143539 2363951 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F)N 1 0.403 3 6 0 -18.391163777148 2363945 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC)N 1 2.359 4 6 0 -17.6437696277844 2363938 CC(C)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 1.049 2 5 0 -29.3217899330514 2363935 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCC2=CC=CC=C2)N 1 0.733 3 5 0 -18.153999296267 2363932 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.044 3 5 0 -17.151854921021 2363927 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC=C(C=C3)O 1 1.854 1 6 0 -11.9502665972602 2363926 COC1=C(C(=C(C=C1)C(=O)OCC(=O)NC2CCCC2)OC)OC 1 2.098 1 6 0 -12.3231750569157 2363905 C1CCC(CC1)NC(=S)NN=CC2=CC=C(C=C2)C(F)(F)F 1 5.032 3 0 -3.27267648010054 2363877 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=CC(=C3)OC 1 3.259 2 4 -3.02861015182859 2363875 CC(C)(C)NC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2 1 3.08 1 4 -16.9007579056174 2363859 COC1=C(C=C(C=C1)C2=NN(C=C2C=NNC(=S)N)C3=CC=CC=C3)OC 1 3.94 5 2 0 4.173601241546 2363851 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.333 1 4 -11.2532794364322 2363846 CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)N2CCCCC2)C 1 1.9 2 4 0 -16.4934412549555 2363825 COC1=C(C=CC(=C1)C(=O)O)OCC(=O)N2CCOCC2 1 0.38 1 6 0 -14.3869952579998 2363815 CC1=C(C(=NO1)C)CN2C(=O)C3(CCCCCCC3)NC2=O 1 2.351 3 3 -9.19644200139838 2363795 C=CCN1C(=O)C2=CC=CC=C2N3C1=NNC3=S 1 2.451 4 1 -12.9909155182602 2363793 CC1=NC2=C(C=C1)C(=CC(=C2OCC3=NN=C(O3)C4=CC=CC=C4)Cl)Cl 1 4.687 3 2 -1.27906688169007 2363789 CC1=CN2C(=NC(=CC2=O)COC3=CC=C(C=C3)Cl)C=C1 1 2.669 2 2 -8.43221171922282 2363782 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NNC(=S)N3C4=CC=CC=C4 1 2.969 4 3 0 -20.0703923808296 2363774 CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCl 1 3.871 1 1 -5.30208472320774 2363757 CCN1C(=NNC1=S)CSC2=NC3=CC=CC=C3S2 1 3.469 4 0 -6.57937550025622 2363756 C1=CC=C(C=C1)CN2C(=NNC2=S)CSC3=NC4=CC=CC=C4S3 1 4.704 4 0 -5.85109948172544 2363746 C1=CC=C(C=C1)C2=CSC3=NC(=CC(=O)N23)CCl 1 2.459 2 1 -5.03003217288369 2363733 CC1=CC=C(C=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 3.72 1 3 -4.94129675748632 2363732 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC=CC=N2 1 2.421 2 2 -10.2892545723175 2363721 CCCCN1C(=C(C(=O)NC1=O)NCCC)N 1 0.411 4 2 0 -6.69328605849948 2363706 CC(C)[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 1 3.571 2 3 -17.2188539052641 2363702 C1CCC(=CC1)CCNC2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 2.12 4 2 -7.66989486979673 2363696 C1=CC(=CN=C1)C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Br 1 3.711 2 2 2.52583579613732 2363676 CCCCN1C(=C(C(=O)NC1=O)NCC2=CC=CC=C2OC)N 1 1.105 4 3 0 -7.43764951615927 2363668 CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Br)N 1 3.799 1 2 -2.97070637334551 2363662 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NNC(=S)O4 1 3.482 4 2 -11.1489628447291 2363641 CC(C)NC(=S)NN=CC1=CC=C(C=C1)N2CCOCC2 1 2.807 4 1 -10.5891269920175 2363629 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)N(C)C2=CC=CC=C2 1 3.524 1 6 0 -14.5658295701239 2363613 CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)N4CCC5=CC=CC=C5C4 1 4.435 4 1 -17.903788589692 2363592 CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=CO1 1 0.851 2 5 0 -12.9982347819226 2363572 CCN(C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(S2)C)C(C)C 1 3.657 2 3 -12.6995868580814 2363554 COC1=CC=C(C=C1)CNC(=O)COC(=O)CC2=C(C=C(C=C2)Cl)Cl 1 3.675 1 4 -9.05232460980511 2363543 C1CCC(CC1)NC(=O)NN=C/C=C/C2=CC=CC=C2 1 3.233 3 1 -2.4850809337646 2363485 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)SC(F)F)C5=CN=CC=C5 1 5.571 5 1 -14.5150297253193 2363535 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=CNC3=O 1 -0.779 4 5 0 -23.143983544316 2363530 C1CCC(CC1)NC(=O)NN=CC2=CC(=CC=C2)O 1 2.631 3 2 -4.86073329735401 2363458 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCCC3=CC=CC=C32 1 2.604 2 4 -17.299920881863 2363440 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)OC 1 2.173 1 6 0 -13.6809583349001 2363388 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4 1 2.255 4 1 -6.58005166944052 2363374 C1CN(CCN1C2=NNC(=O)NC2=O)C(=O)C3=CC=CC=C3 1 -0.35 5 3 0 -16.0547760040733 2363284 CCN(C(=S)NC1=CC=C(C=C1)F)N 1 2.503 3 0 -4.3323065151241 2363277 CC1=NN(C(=C1)NC2=CC=CC=C2)CCOC(=O)COC3=CC=CC=C3 1 3.776 3 3 -11.2924205628109 2363269 CN(C(=S)NC1=CC=C(C=C1)F)N 1 2.154 3 0 -3.60845323370821 2363267 C1=CC(=CC=C1NC(=S)N(CCO)N)Cl 1 2.073 3 1 -1.35874264244016 2363259 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)C3=CC=CC=C3F 1 3.071 7 1 0 -13.8013851407017 2363256 CCCC1=CC(=O)N=C(N1)SCC(=O)NN(C2=CC=CC=C2)C3=CC=CC=C3 1 4.389 4 2 -17.1752720573946 2363253 C1=CC=NC(=C1)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.438 4 5 0 -7.63304273856096 2363190 CCCCNC(=S)N(C)N=CC1=CC=C(C=C1)F 1 3.971 3 0 -6.92684869088559 2363200 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)NCC3=CC=CO3 1 2.883 2 4 -15.2590652685865 2363204 C1=CC=C(C=C1)N(CCC#N)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 1.636 4 4 0 -14.7873989332296 2363207 CN(C1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 1.657 3 4 0 -10.9019573495391 2363246 C1CCC(C1)N2C(=NNC2=S)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.308 4 3 0 -20.3461690042147 2363244 CC1(CSC(=N1)NCCC2=CC=CC=C2)C 1 3.141 2 0 -1.01322507441874 2363240 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NNC4=S 1 3.411 4 1 -9.49728414912704 2363238 C1CN=C(SC1)NCCC2=CC=CC=C2 1 2.621 2 0 -7.7905727915797 2363236 CCN(C1CCCCC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 2.288 3 4 0 -12.5259149736865 2363184 C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=C4N3C=CC=C4 1 2.612 4 1 -19.8863788980487 2363168 COC1=CC=CC=C1CNC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.834 2 4 -15.8619404121392 2363156 CN(CC(=O)OCC(=O)NC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.954 2 5 0 -10.7546159495204 2363119 CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=CC=CC=C2OC(F)F 1 4.333 1 4 -7.09171947874716 2363104 C1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2OC(F)F 1 3.589 1 4 -8.59320496128953 2363102 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43 1 2.198 5 2 0 -18.165892296781 2363098 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CO3)Cl 1 2.209 2 6 0 -28.3608914088128 2363090 CC1=CC(=C(C=C1)NC(=O)CSC2=NC=CC(=O)N2)S(=O)(=O)N3CCOCC3 1 0.381 4 5 0 -25.9090618491525 2363075 C1CCN(CC1)C(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.158 1 5 -16.6727627723014 2363066 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 4.276 3 3 -14.0821440222565 2363010 CCN(CC1=CC=CC=C1)C(=O)CSC2=NN=CN2C 1 1.681 4 1 0 -23.7316492051345 2363000 C1COCCN1N=CC2=C(C=CC=C2F)F 1 1.662 2 1 0 -2.01693926468552 2362989 C1CCN(CC1)N=CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.375 3 2 -2.23701316253145 2362943 COC(=O)C1=C(SC2=C1CCC2)NC(=O)COC(=O)C3=CC=NC=C3 1 1.74 2 5 0 -20.3073082589254 2362923 C1CN(CCN1CCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3 1 2.316 5 4 0 -0.992957800189144 2362902 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.093 1 8 0 -16.8792710260253 2362895 CC1=CC(=C(O1)C)C(=O)OCC(=O)NCC2=CC=CO2 1 0.905 1 5 0 -17.1627245434948 2362891 COC(=O)C1=CC=C(C=C1)CNCC(=O)NC2=CC=C(C=C2)C(=O)OC 1 1.714 2 5 0 -7.5786136677236 2362869 C1=CC(=C(N=C1)Cl)C(=O)OCC(=O)NCC2=CC=CO2 1 1.233 2 4 0 -13.8013562713343 2362868 C/C=C/C(=O)OCC(=O)NC1=C(C=CC=C1Cl)Cl 1 3.086 1 3 -5.69287420795556 2362845 COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.105 3 3 0.228905977769721 2362837 CCOC(=O)C1=C(N=CN1)C(=O)NC2=CC=CC(=N2)N 1 0.606 5 3 0 -9.38449992781784 2362835 C1=CC=C2C(=C1)C(=NNC2=S)C3=CC=C(C=C3)F 1 3.725 2 0 -2.88626854664655 2362805 COC1=CC=CC=C1NCCC(=O)OCC(=O)NCC2=CC=CO2 1 1.402 2 5 0 -17.9269868464271 2362783 CN1C=NN=C1SCC(=O)NCCC2=CC=CC=C2 1 1.447 4 1 0 -22.1210806982484 2362772 C1=CC=C(C=C1)CNC(=O)COC(=O)COC2=CC=C(C=C2)Br 1 2.912 1 4 -13.2244768506719 2362763 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)N 1 2.37 5 4 0 -24.6525085544068 2362738 C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=NC4=CC=CC=C4S3 1 2.817 3 1 -1.10582608611983 2362725 C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 1.22 3 6 0 -14.1495762274162 2362723 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=CC(=C3)Cl)Cl)C(=O)O 1 2.78 3 4 0 -10.1901875440729 2362664 C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.503 2 5 0 -17.1736282213277 2362615 C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)/C=C/C3=CC(=CC=C3)C(F)(F)F 1 4.64 1 3 -2.21404775643024 2362600 CC(C)CC(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2 1 4.15 1 3 -10.6263623599479 2362535 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3 1 1.9 2 6 0 -29.8950070260605 2362469 C1=CSC(=C1)/C=C(\C#N)/C(=O)NC2=NC=CS2 1 1.872 3 1 0 -14.1793033126675 2362447 CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CN(N=C3)C4=CC=CC=C4)OCC(=O)NC5=CC(=C(C=C5)F)F 1 5.58 3 4 0 2.47773421521412e-002 2362437 C1=CC(=CC(=C1)F)/C=C/C(=O)OCC(=O)NC2=NC=CC=N2 1 1.737 3 3 0 -5.3947203507196 2362431 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2CCCCC2 1 2.494 1 7 0 -15.342941892944 2362415 C1=CC=C2C(=C1)NC(=N2)SCCCC(=O)OCC(=O)NC3=CC(=CC=C3)F 1 3.547 3 3 -12.3711111612337 2362402 CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 4.883 1 6 0 -10.0716341553434 2362369 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 1 4.223 2 5 0 -12.7793251970413 2362351 CC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 -0.475 5 4 0 -22.571392021569 2362329 C1CCN(C1)C(=O)COC(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CS3)O 1 1.444 2 6 0 -10.3714819300443 2362327 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC(=CC(=C2)OC)OC)C)C 1 2.497 1 7 0 -11.9954235424272 2362325 CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC2=NC=NC3=CC=CC=C32)C 1 3.625 3 4 0 -8.36283955328046 2362313 COC1=CC=C(C=C1)/C=C/C(=O)OCC2=CC(=O)N3C4=CC=CC=C4SC3=N2 1 4.103 2 4 -7.83047533360545 2362281 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N3CCCC3 1 1.881 2 3 0 -10.7354564584795 2362246 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=N3)C 1 3.394 5 1 -11.553990243676 2362211 CCOC(=O)N1CCN(CC1)C(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.431 4 4 0 -11.6141420106831 2362189 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 3.252 2 5 0 -21.3852980825315 2362176 C1=CC=C2C(=C1)C(=NC=N2)SCN3C(=O)C4=CC=CC=C4N=N3 1 4.102 5 1 -14.9461668381729 2362139 COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)O 1 2.67 2 3 -9.79256217847856 2362127 CC(C)CN1C2=CC=CC=C2/C(=C(\C#N)/C(=O)NC3CCCCC3)/C1=O 1 3.515 3 2 -10.3743854385343 2362080 CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=CC(=O)N3)C4=CC=CC=C41 1 3.138 4 2 -10.7979751375879 2362114 COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2CCCCC2 1 3.095 1 4 -10.7027890294365 2362105 C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=CC=C3NC(=O)C4=CC=CO4 1 2.789 2 5 0 -19.7214821699383 2362094 CC1=CC(=CC=C1)OCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 0.564 3 6 0 -16.0006930723736 2362069 CCC1=CC=C(C=C1)C(=O)COC(=O)[C@H]([C@@H](C)CC)NC(=O)N 1 2.852 2 4 -19.5009709923727 2362066 CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3Br)C4=CC=CC=C41 1 5.118 2 3 -5.49158295274085 2362065 C1=CC=C(C=C1)CCC(=O)C2=NN=C(O2)C3=CC=CC=C3 1 3.43 2 2 -0.402910108087456 2362055 CC1=CC(=NC(=N1)NN=C/C(=C/C2=CC=CC=C2)/Cl)C 1 2.848 4 0 -5.00705015427643 2362040 C1CN(CCN1C2=NNC(=O)NC2=O)C(=O)/C=C/C3=CC4=C(C=C3)OCO4 1 -0.114 5 5 0 -16.8807509541678 2362025 C1=CC=C(C=C1)NC2=CC(=NS(=O)(=O)C3=CC=CS3)C4=CC=CC=C4C2=O 1 4.045 2 3 -0.808809694008082 2361995 CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4 1 5.234 4 3 0 -1.32360406179363 2361992 CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC=C(O2)Br)C 1 3.346 1 4 -8.6216712890579 2361989 CCN(CC1=CC=CC=C1)C(=O)CSC2=CC=CC=C2C(=O)O 1 3.199 1 3 -16.2838139085528 2361974 CC1=NC(=NC=C1)SCC(=O)C2=CC=CS2 1 2.605 2 1 -11.0441449858289 2361973 C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl 1 5.512 1 2 -0.177249726830507 2361934 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)NC4=C(C=C(C=C4)F)F 1 4.554 2 2 -3.36439531553345 2361929 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 3.434 1 6 0 -15.8061455399737 2361914 CC1=CC(=CC(=C1COC(=O)C2=CN=CC=C2)C)C(C)(C)C 1 4.491 1 2 -3.18544926562594 2361912 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5 1 3.993 3 3 -6.23775376471608 2361888 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)C(=O)OCC(=O)N2CCCC2 1 0.984 2 6 0 -18.644147854832 2361881 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)C(=O)OCC(=O)N(C)CC2=CC=CC=C2 1 2.107 2 6 0 -19.9815258369014 2361846 C=CCNC(=S)NC1=C(C=C(C=C1)Cl)F 1 3.999 2 0 -7.01831244240386 2361839 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=C(N=CC=C3)Cl 1 2.988 3 3 -3.748957155436 2361837 C1=CC=C(C(=C1)C(=O)NC2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.157 3 3 -8.04483870523329 2361828 CSC1=CC=CC=C1NC(=O)COC(=O)CC2=CC=CS2 1 2.851 1 3 -16.4165447561738 2361827 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)N2CCCCC2 1 1.853 1 6 0 -14.0832768667785 2361818 CC1=CC(=CC=C1)NC(=O)/C(=C/C2=CC=C(C=C2)SC)/C#N 1 3.949 2 1 -7.04169794142156 2361787 CN1CCN(CC1)C2=NC3=C(C=C(C4=C3C2=CC=C4)Cl)Cl 1 3.445 3 0 6.0018568644441 2361774 CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3)C 1 5.097 3 0 -4.26486320451853 2361769 C1=CC(=CC(=C1)Cl)NC(=S)NC2=CC=CC3=C2C=CN=C3 1 4.789 3 0 -1.69184626735239 2361759 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC=NC3=CC=CC=C32 1 3.727 3 3 -15.9019801871702 2361755 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC(=C(C=C4)F)F 1 3.664 3 5 0 -8.00299242371779 2361710 C1CC1C(=O)NN=C/C(=C/C2=CC=CC=C2)/Br 1 2.589 2 1 -9.40485111567804 2361698 CC1=NN(C(=C1/C=C(\C#N)/C(=O)N)Cl)C2=CC=C(C=C2)Cl 1 2.771 4 1 -3.50438318091677 2361684 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43 1 2.955 4 2 -7.79210722475605 2361645 CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)NN=CC3=CC=CS3 1 2.873 5 1 -20.349734736118 2361621 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CS2)OC(F)F 1 3.325 1 5 -14.238826380931 2361615 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 0.721 4 7 0 -28.3126586193432 2361580 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 -0.509 4 7 0 -20.8827206243808 2361559 CC1=CC(=NC(=N1)NC(=O)CSC2=NC3=CC=CC=C3O2)C 1 2.383 4 2 -10.0807096649724 2361522 COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)N3CCC4=CC=CC=C43 1 2.831 2 7 0 -17.090665483703 2361491 C1CC1C(=O)NNC(=O)/C=C/C2=CC=CC=C2 1 1.432 2 2 0 -7.65549010692359 2361488 C1=COC(=C1)CNC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl 1 2.816 1 4 -12.5570078814212 2361483 C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=CS3 1 2.562 1 3 -15.0083246353911 2361473 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=CS2)N 1 0.195 3 5 0 -18.5060082021557 2361470 COC1=CC=CC(=C1OC)C(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.444 3 4 0 -15.6260364447239 2361433 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=C(C=C2)OC)OC)N 1 0.209 3 7 0 -22.140974012629 2361426 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)F)N 1 1.903 3 5 0 -13.3455240776557 2361418 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4=CC=CC=C4C(F)(F)F 1 5.273 2 3 -3.35349774152245 2361413 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=C(N=CC=C3)Cl 1 2.781 2 3 -10.946202985074 2361353 CN1C=NN=C1SCC(=O)NN(C2=CC=CC=C2)C3=CC=CC=C3 1 2.924 5 1 -19.2032201597779 2361297 CCOC1=C(C=C(C=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCOCC3)\C(=O)O)OC 1 2.604 1 7 0 -20.4164090357336 2361288 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)COC3=CC=C(C=C3)Cl 1 2.671 2 5 0 -8.09705626919543 2361273 COC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CC=CC=C2[N+](=O)[O-])OC 1 2.218 2 7 0 -17.073002508951 2361235 CC1=C(SC2=C1C(=NC=N2)SC3=NN=C4N3C5=CC=CC=C5S4)C 1 5.077 5 0 -5.50313201361472 2361180 CN(C1=CC=CC=C1)C(=O)C(=O)/C(=C(\C(=O)OC)/NC2=CC=CC=C2)/C(=O)C3=CC=C(C=C3)Cl 1 4.62 2 5 0 -4.1736421498742 2361177 CC1=CC=C(C=C1)N/C(=C\C(=O)C2=CC=CC=C2)/C(=O)O 1 3.389 1 3 -1.05927723593506 2361133 C1CC(=O)N(C1)CCCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.121 2 3 0 -16.8232751269959 2361115 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4N3 1 1.908 4 3 0 -20.8738830516407 2361091 CCCCN1C2=CC=CC=C2/C(=C(\C#N)/C(=O)N)/C1=O 1 1.588 3 2 0 -5.01929468849065 2361013 C1=COC(=C1)CNC(=O)CSC2=CC=C(C=C2)Cl 1 2.861 1 2 -8.91538062354075 2361010 C1=CC(=CC=C1C(=O)C2=NN=C(O2)C3=CC=NC=C3)Cl 1 2.453 3 2 2.80442098964473 2361004 CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C3CN(CCC3=NC4=CC=CC=C42)CC5=CC=CC=C5 1 5.576 3 3 -7.38147418736682 2360990 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CCO)CC3=CC=CC=C3 1 1.092 2 5 0 -21.9283270710658 2360979 COC1=CC=CC=C1NCC(=O)C2=CC=C(C=C2)Cl 1 3.542 1 2 -3.09343971668352 2360977 CSC(=NC1CCCCC1)NS(=O)(=O)C2=CC=CC=C2 1 3.845 2 2 -4.22611137133495 2360975 CC(C)(C)C(=O)CSC1=NC=CC=N1 1 2.242 2 1 -8.93861515387213 2360970 CC1=CC(=NN1)NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 3.303 3 2 -4.56729277222669 2360958 C1CC(=O)N(C1)CCCNC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 2.314 2 3 -19.2122145610882 2360952 CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C 1 2.346 5 3 0 -18.3085597630108 2360945 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)NCC2=CC=CO2 1 1.33 3 4 0 -12.8087300186302 2360937 CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)NC3=NC=CS3)C4=CC=CC=C4 1 4.739 4 1 6.97260465246449 2360931 C1=CC(=CC(=C1)N)N2C(=CN=N2)C3=CC=C(C=C3)Cl 1 3.316 4 0 4.055660829323 2360916 COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4 1 4.401 3 4 0 3.42883191324855 2360905 C1=CC=C2C(=C1)N=C(S2)NC3=CC=C(C=C3)F 1 3.573 2 0 5.68782525944462 2360902 C1=CC=C(C=C1)OCCOC2=CC=CC=C2C(=O)O 1 3.075 0 4 -3.43178400483332 2360896 CC1=C(C(=NN1CCO)C)OC2=CC=CC=C2O 1 1.686 2 3 0 3.19075677323844 2360895 CC1=C(C(=NN1CCC#N)C)OC2=CC=CC=C2O 1 2.205 3 2 0.520559468915334 2360892 C1COCCN1C2=NC(=C(S2)C=NNC(=O)C3=CC=C(C=C3)O)C4=CC=CC=C4 1 2.906 4 3 0 0.643012823129509 2360859 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC3=CC(=CC=C3)F 1 1.748 3 3 0 -13.5208833447154 2360856 C1=CC=C(C=C1)OCCOC2=CC=CC=C2C(=O)NN 1 1.956 2 3 0 -4.81020279942358 2360821 C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)Cl 1 3.156 2 3 -4.20587774428856 2360816 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)COC2=CC=C(C=C2)Cl)N 1 0.742 3 6 0 -15.2705371709255 2360777 C1=CSC(=C1)C2=C(SC(=N2)NC3=CC=C(C=C3)F)CC(=O)O 1 3.801 2 2 -2.83524814881785 2360773 C1=CC=C(C=C1)/C=C/C2=N/C(=C\C3=CN=CC=C3)/C(=O)O2 1 2.63 2 2 -4.45075559733856 2360769 CC1=NN=C2N1N=C(C3=CC=CC=C32)C4=CC=CC5=CC=CC=C54 1 3.877 4 0 -1.83685148159239 2360761 CC1=CC2=NNC(=S)N2C3=C1C=CC(=C3)OC 1 2.746 3 1 -3.52302142782152 2360735 C1=CC=C(C(=C1)COC2=CC=CC=C2C(=O)O)Cl 1 3.691 0 3 -2.75018710668993 2360683 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)C(=O)O 1 4.623 3 3 4.55367514785794 2360617 CC1=CC=CC=C1NC2=NC3=CC=CC=C3S2 1 3.854 2 0 4.69690948851711 2360654 C1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4 1 4.885 3 3 5.66572930938467 2360635 COC1=CC=C(C=C1)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 1 2.92 2 4 -10.2720573848808 2360549 CC1CCN(CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3F)C 1 4.117 2 1 -7.7062353707822 2360544 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)CC=C)C 1 3.537 3 4 0 -29.193113756882 2360508 CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3)[N+](=O)[O-] 1 2.446 5 5 0 -20.7900397236439 2360506 C1CCN(C1)C(=O)COC(=O)/C=C/C2=CC=CC=C2 1 1.879 1 3 0 -6.96523122109973 2360504 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 4.222 1 4 -10.6649881937133 2360500 C1CCC(CC1)NC(=O)COC(=O)C2=CC=C(O2)Br 1 2.566 1 4 -11.3960084099854 2360478 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC(=O)C=C(N3)N 1 1.639 5 4 0 -18.8691403930788 2360457 CC(=O)CCC(=O)OCC(=O)NC1=CC=C(C=C1)SC(F)F 1 1.966 1 4 0 -15.9141450813128 2360427 C1COCCN1C2=NC(=CS2)CC(=O)NN=CC3=CC=C(C=C3)F 1 1.579 4 2 0 -6.68145991405393 2360421 CN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)Cl 1 2.585 3 7 0 -18.146949079094 2360417 C1=CC(=C(C=C1NC(=O)CSC2=NC=CC(=O)N2)[N+](=O)[O-])F 1 1.19 4 4 0 -15.511693282251 2360409 C1=COC(=C1)CNC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 0.581 3 6 0 -15.7182325639697 2360405 C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NCC3=CC=CO3 1 2.07 2 4 -14.5551054041589 2360342 C1=CC(=CC=C1SCCC(=O)OCC(=O)N)Cl 1 1.845 1 3 0 -5.5369760763446 2360322 C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)OCC(=O)NC4=C(C=C(C=C4)F)F 1 3.715 3 3 -11.5949929805149 2360312 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=CC(=O)N3 1 0.865 3 4 0 -18.9827216011798 2360302 COC1=CC=C(C=C1)CCNC(=O)COC(=O)COC2=CC=C(C=C2)C#N 1 2.347 2 5 0 -15.3674293095263 2360283 COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)NC(=O)C3=CC=CS3)OC 1 3.034 2 6 0 -22.7186833157728 2360242 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=C(C=C(C=N4)C(F)(F)F)Cl 1 4.085 3 5 0 -18.4176740542268 2360235 CCN(C1=CC=CC2=CC=CC=C21)C(=O)CSC3=NC=NN3 1 2.773 4 1 -14.9812648388351 2360213 C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C(=O)NN 1 2.522 4 1 -7.7674966779805 2360211 CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)NN 1 0.577 5 1 0 -17.899892155068 2360210 COC1=CC=C(C=C1)CCNC(=O)CC(=O)NCCC2=CC=C(C=C2)OC 1 2.539 2 4 -7.54113951957557 2360209 CC1=CC(=C(O1)C)C(=O)NN 1 -0.265 2 2 0 -5.59977998329845 2360199 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)O 1 2.137 1 5 -11.026528594115 2360195 C1=CC2=NC(=C(N2C=C1)C(=O)O)Cl 1 1.502 2 2 0 -3.734569298309 2360179 CN1C2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)OC)N(C1=O)C 1 2.179 4 3 0 -18.9366915909558 2360136 COC1=C(C=C(C=C1)C2=NN(C=C2C=NN=C(N)N)C3=CC=CC=C3)OC 1 3.004 6 2 0 12.4018619859911 2360125 CN(C)CCCNC1=C(N=C(O1)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3 1 4.092 3 3 -5.31113854121914 2360119 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NNN=N3 1 1.019 6 3 0 -21.0223907358251 2360096 C1CN(CCN1C(=O)COC2=CC=CC=C2O)C(=O)C3=CC=CO3 1 1.113 2 5 0 -4.31539109267671 2360080 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CCOC(=O)C1=C(C=C(S1)NC(=O)NC2=CC=CC=C2)C 1 3.291 2 3 -7.25197627382712 2359654 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)NC3=CC(=CC=C3)Cl)C 1 3.877 5 2 0 -10.9606400054168 2359652 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NCCC3=CC=C(C=C3)OC 1 3.941 2 5 0 -14.5707798601844 2359616 COC(=O)CC1=CSC(=N1)NC(=O)CSC2=NN=C3N2C=CC=C3 1 1.64 5 3 0 -21.1186077392496 2359606 CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4)C 1 4.923 3 3 -11.5748117604033 2359601 C1CCC(=NCC1)NOC(=O)C2=C(C=CC=C2F)F 1 2.507 2 2 -7.96285158895953 2359509 CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N(CC)CC 1 4.226 2 5 0 -20.3869215227383 2359484 COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 3.411 1 7 0 -13.5350678307452 2359467 C1=CC(=C(C(=C1)F)NC(=O)COC(=O)CC2=CC=C(C=C2)Cl)F 1 3.432 1 3 -6.6322821536574 2359439 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC=CO3 1 2.74 3 2 -11.1024743346502 2359417 CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC)C 1 4.222 1 6 0 -14.9890359585669 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C1=CC2=C(C=CC=C2O)C(=C1)N=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.651 2 3 7.86861584016316 2358795 C1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)OC(F)F 1 2.806 1 5 -14.4729345340956 2358783 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C3=CC=CO3 1 3.398 2 5 0 -13.6997018330325 2358776 CCN(C1=CC=C(C=C1)OCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)S(=O)(=O)C3=CC=CC=C3 1 1.12 4 8 0 -25.8636132376647 2358771 C1CCC(=CC1)CCNC(=O)COC(=O)C2=C(N=CC=C2)Cl 1 2.795 2 3 -14.446374162135 2358768 C1CCC(=CC1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 2.202 3 4 0 -18.5680883881291 2358736 C1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2 1 3.501 1 3 -10.0421344877582 2358729 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 0.524 4 7 0 -23.7522567075966 2358727 CCCC(=O)OCC(=O)NC1=CC=C(C=C1)OC(F)F 1 2.586 1 4 -10.6323028912785 2358702 CCC(CC)C(=O)OCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] 1 2.593 2 5 0 -10.4139840034159 2358682 C1=CC(=C(N=C1)Cl)C(=O)OCC(=O)C2=CC=C(C=C2)F 1 2.869 1 3 -7.61244776494665 2358649 COC1=CC=CC=C1OCC2=CSC(=N2)NC(=O)C3=CC=CO3 1 2.772 2 4 -8.30159773834864 2358586 COC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC=C(C=C2)Br 1 3.137 1 5 -9.20343352738957 2358580 C1=COC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 1.784 2 6 0 -17.5419630036225 2358574 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.108 2 8 0 -24.587144702137 2358568 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)N 1 2.375 4 5 0 -17.9447757806029 2358535 C1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 2.783 2 5 0 -17.5564444207659 2358507 COC1=CC=C(C=C1)OCC(=O)OCC(=O)NCC2=CC=CO2 1 1.329 1 6 0 -15.4867303462639 2358495 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NCC2=CC=CC=C2 1 1.239 2 5 0 -22.545121929453 2358469 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)N3CCOCC3 1 1.996 2 6 0 -20.0727439268705 2358463 CC1=CC=C(O1)/C=C\2/C3=CC=CC=C3NC2=O 1 2.271 1 2 -2.57548824104253 2358443 C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)NC2=C(C=CC=C2Cl)Cl)NC(=O)C3=CC=CS3 1 4.703 2 4 -14.4778477983026 2358436 CC(C)[C@@H](C(=O)OCC(=O)NCCC1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2 1 3.242 2 4 -23.5893677418515 2358432 CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2OC 1 3.087 1 4 -11.9765736700934 2358407 COC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)N)OC 1 1.051 5 3 0 -13.0152359825777 2358398 C1CCN(CC1)C(=O)COC(=O)CC2=C(C=C(C=C2)Cl)Cl 1 3.231 1 3 -6.43635881317259 2358337 C1CCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 3.539 3 2 -22.2404472881384 2358291 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)COC4=CC=CC5=C4N=CC=C5 1 4.204 3 4 0 -11.7188756709964 2358225 C1=CC=C(C=C1)CCNC(=S)NN=CC2=C(C(=CC=C2)Cl)Cl 1 5.465 3 0 -4.03889295314591 2358203 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)NCC4=CC=CC=C4)O 1 1.983 2 8 0 -12.5981248470964 2358194 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NC(=O)C=C(N4)N 1 3.366 5 2 0 -6.53974663382427 2358138 C1=CC=C(C=C1)NC(=O)COC(=O)C2=NNC3=CC=CC=C32 1 2.394 3 3 -15.1280956813623 2358129 C1=CC=C(C(=C1)NC(=O)COC2=C(C=C(C3=C2N=CC=C3)Br)Br)F 1 4.338 2 2 -2.99585460493523 2358127 COC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)SC 1 2.855 1 4 -15.5336510469067 2358109 CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=CC=C2 1 2.871 1 3 -16.0847695804318 2358095 COC1=CC=C(C=C1)OCC(=O)OCC(=O)NCC2=CC=C(C=C2)F 1 2.353 1 5 -12.6213666462562 2358073 CC(C)[C@@H](C(=O)OCC(=O)NCC1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2 1 2.921 2 4 -24.1809212537173 2358036 CC(=CC(=O)OCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C 1 2.098 2 5 0 -7.54182949972024 2358035 COC1=CC=CC=C1NC(=O)COC(=O)CC2=CC=CS2 1 2.293 1 4 -14.2444296735033 2358034 CN(CC1=CC=CC=C1)C(=O)COC(=O)/C(=C/C2=CC=CC=C2OC)/C3=CC=CC=C3 1 4.464 1 4 -10.2068419066298 2357982 CN(C1=CC=C(C=C1)OCC(=O)OCC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.947 2 7 0 -21.8614949360587 2357966 C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=O)C=C(N3)N 1 1.158 4 2 0 -19.3212094836239 2357965 CC1=CC(=O)N=C(N1)SCC(=O)N2CCCCCC2 1 1.607 3 2 0 -19.9656618728661 2357945 C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC4=C5C=CC=CC5=NC4=O 1 3.131 5 1 -7.20224907713946 2357929 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CSC(=N3)C4=CC5=CC=CC=C5OC4=O 1 5.077 2 4 -1.39964367789471 2357919 COC1=CC=C(C=C1)NC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 4.038 1 5 -9.86576170932077 2357907 CSC1=C(C=CC=N1)C(=O)OCC2=CC=CC=C2 1 3.199 1 2 -9.90770559303547 2357903 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CNC3=O 1 -0.294 3 6 0 -26.5314135380416 2357900 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)COC(=O)CNC(=O)C4=CC=CC=C4 1 2.868 2 6 0 -21.1417582169059 2357886 CC1=CC(=CC(=C1)NC(=O)COC(=O)C=C(C)C)C 1 3.176 1 3 -5.95000768112329 2357880 CC(=CC(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F)C 1 2.303 2 5 0 -7.24520267977376 2357867 COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CO2 1 2.32 0 5 -8.17071291336064 2357857 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC3=NC=NC4=CC=CC=C43 1 2.322 3 4 0 -7.78894358983852 2357852 CC1=CC=C(O1)C=NC2=C(C3=C(S2)CCCCC3)C#N 1 4.471 2 1 -6.52127326248944 2357825 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3NC(=O)C4=CC=CO4 1 2.269 2 7 0 -17.1313968869764 2357803 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2 1 1.445 2 5 0 -18.520735808277 2357786 CCC(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2 1 1.092 1 5 0 -11.0060169436111 2357762 C1C(=C(C(=O)O1)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3 1 3.239 1 4 -1.88852622601562 2357665 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5 1 3.072 3 5 0 -12.7935892091561 2357650 C1CCC(C1)C(=O)OCC(=O)C2=CC=C(C=C2)OC(F)F 1 3.752 0 4 -5.30981341372983 2357590 C1CCN(CC1)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2F 1 1.133 2 4 0 -17.6895883993881 2357568 C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4 1 4.574 4 1 -14.2111599684965 2357565 C1=CN=C(N=C1)SCC(=O)NCC2=CC=C(C=C2)Cl 1 2.421 3 1 -10.6445261567623 2357555 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=C(C=C4)F 1 4.699 2 4 -4.09755227875509 2357547 C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)COC3=CC=CC=C3 1 3.229 2 3 -3.75869352606717 2357498 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 3.548 1 5 -7.31082259680533 2357494 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F 1 4.505 4 3 0 -21.3757804671913 2357468 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=N2 1 0.72 3 4 0 -13.0978103224574 2357437 CC1=CC(=C(C=C1)C)C=NNC(=S)NCCC2=CC=CC=C2 1 5.108 3 0 -5.38805497411245 2357377 C1=CC=C(C(=C1)C(=O)NN=CC2=CC(=CC=C2)C(F)(F)F)O 1 3.383 2 2 3.71489457071762 2357360 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NCC4=CC=CO4 1 3.597 2 4 -18.4988327917937 2357351 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3CCCCC3 1 2.832 2 7 0 -11.2032710871393 2357324 COC1=CC=C(C=C1)NC(=S)NN=CC2=CC(=C(C=C2)F)F 1 4.48 3 1 -4.79758610062845 2357319 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)Br 1 3.077 1 3 -12.5843627304685 2357312 COC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)OC 1 1.968 1 6 0 -15.4944671184539 2357308 C1=CC=C(C=C1)CNC(=O)COC(=O)CCSC2=CC=CC=C2 1 2.97 1 3 -14.2565314896095 2357299 C1=CC=C(C=C1)COC(=O)CCC2=NC3=CC=CC=C3S2 1 3.829 1 2 -5.1649948431221 2357296 C1CCC(C1)NC(=O)COC(=O)C2=CC=C(C=C2)Br 1 2.895 1 3 -10.4821244416232 2357293 CC1=CC=CC=C1OCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.64 3 4 0 -21.1848760079545 2357265 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N)C(=O)O 1 1.184 2 5 0 -3.80754031146807 2357248 CCOC(=O)C1=C(N=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(C)(C)C)C)C 1 4.073 3 3 -1.17353771257498 2357242 COCCNC(=O)CC1=NC2=CC=CC=C2N1 1 0.864 3 2 0 -11.4372298756426 2357239 C1=CC=C2C(=C1)NC(=N2)CC(=O)NCC3=CC=CO3 1 1.76 3 2 0 -10.4719992845124 2357209 CCOC1=CC=CC=C1N(C2=NC(CS2)(C)C)C(=O)C3=CC=CC=C3Cl 1 5.464 2 2 -7.54666251939283 2357158 C1=CC=C(C=C1)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 4.679 1 4 -8.74420248125058 2357151 C1=CC=C(C=C1)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl 1 5.065 1 4 -7.32906875564521 2357144 CCC(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl 1 1.883 2 5 0 -9.47348326219342 2357135 C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC(=O)N)Cl 1 2.356 1 3 -3.64053255028634 2357119 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=CO4 1 4.212 2 4 1.3338212689965 2357113 COC1=CC=CC=C1NC(=O)COC(=O)C2CCN(CC2)/C=C/C(=O)C(F)(F)F 1 2.086 2 5 0 -10.3634592737033 2357103 C1CCN(C1)C(=O)COC(=O)C2=CC(=CC=C2)Br 1 2.16 1 3 -9.85313027670874 2357086 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=CC=CC=C2F 1 3.695 2 1 -7.76157332896645 2357040 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=CC=C(C=C3)C#N 1 2.725 3 5 0 -26.0419818069912 2357038 C1COC(=CO1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 1.795 1 6 0 -8.54692736916087 2357037 C1=CC=C(C(=C1)SCCC(=O)OCC(=O)NC2=C(C=C(C=C2)F)F)Cl 1 4.038 1 3 -10.727339848842 2357033 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=CC=CC=N4 1 3.883 2 3 -16.5227824279983 2357018 C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O 1 2.354 2 6 0 -8.87801881753395 2357008 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N4CCCC4 1 3.528 2 4 -10.6977236073583 2356990 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.379 2 7 0 -21.1299756746871 2356956 CC1=CC(=C(C=C1)N2C(=NNC2=S)CC3=CC=CC4=CC=CC=C43)C 1 5.594 3 0 -2.64120319403896 2356955 CC1=CC(=C(C=C1)N2C(=NNC2=S)CC3=CC=CC=C3)C 1 4.685 3 0 -5.9809354674961 2356954 CC1=CC(=C(C=C1)C)NC2=NC(=O)CS2 1 2.854 2 1 -6.09324695463326 2356946 CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2CC(OC)OC 1 1.156 4 4 0 -14.6984737651241 2356943 CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)Br)NC3=CC=C(C=C3)Br)C 1 4.818 5 0 -0.373483270850635 2356939 C1=CC=C(C=C1)C2=NN(C=C2CC(=O)O)C3=CC=CC=C3 1 3.668 2 2 9.54388520940322 2356937 C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=O)NC3=O)CCC#N 1 1.44 5 3 0 -5.79064015910569 2356925 CC1=NN(C(=C1)NC2=CC=CC=C2)C3=CC(=CC=C3)Cl 1 4.678 3 0 3.3248892843903 2356923 CCN1C(=C(C(=N1)C)Br)NC2=CC=C(C=C2)Br 1 4.282 3 0 -1.29451811141308 2356907 CC1=NN(C(=C1Br)NC2=CC=C(C=C2)Br)C 1 3.933 3 0 0.323088633956039 2356903 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C(=O)O 1 5.082 3 3 5.6637968129795 2356890 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)/C(=O)O 1 5.254 3 3 2.36402557727942 2356882 CC1=NN(C(=C1)NC2=CC=CC=C2)CCC#N 1 2.415 4 0 -6.71899105661914 2356878 CCN1C(=CC(=N1)C)NC2=CC=CC=C2 1 2.785 3 0 -4.39632142072691 2356877 CC1=NN(C(=C1)NC2=CC=CC=C2)CCO 1 1.897 3 1 0 -3.77205320623703 2356872 C1COC2=C(O1)C=CC(=C2)C3=CSC(=N3)NC(=O)CC#N 1 1.739 3 3 0 -6.79189601751301 2356870 CC1=NN(C(=C1)NC(=O)CC#N)C2=CC=CC=C2 1 1.643 4 1 0 -11.673138120842 2356869 C1=CC(=CC(=C1)Br)C=NNC(=S)NC2=C(C=C(C=C2)F)F 1 5.245 3 0 -1.4620952886469 2356847 CCN(C1=CC=CC=C1)C(=O)COC(=O)C2=C(C(=O)NC(=O)N2)N 1 -0.932 4 5 0 -16.9751331910385 2356790 CC1=C(C=C(C=C1)NC(=S)NC)NC(=S)NC 1 3.68 4 0 -10.2679186683377 2356786 COC1=CC=CC(=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)F)F 1 2.716 1 4 -5.39028444128354 2356780 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)F)Cl)Br 1 4.426 1 3 -6.03788353420441 2356719 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)/C(=C/C4=CC=C(C=C4)OC)/C#N 1 5.107 3 4 0 -2.71457130303165 2356673 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.47 2 7 0 -13.1495841073589 2356669 COC1=CC=CC(=C1)NC(=O)COC(=O)C2=C(C=CC=C2F)F 1 2.716 1 4 -9.45247414128674 2356658 CCCCNC(=S)NC1=CC=C(C=C1)SC(F)F 1 5.204 2 0 -11.4057315939397 2356623 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3 1 4.816 4 4 0 -12.5547289125758 2356564 C1=CC(=CC=C1OCC(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])Cl 1 2.921 2 6 0 -9.10796836152628 2356521 CCN(CC1=CC=NC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.401 3 3 0 -17.3181691690149 2356475 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2CCCCCC2 1 2.78 2 4 -16.0953883021266 2356473 C1CC1NC(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2 1 2.536 1 3 -10.6528862472514 2356467 CC1=NC=C(N=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 1.027 3 5 0 -21.2373207231399 2356460 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=CC=CC=C2F 1 2.969 1 6 0 -14.8034997411672 2356449 C1CC1NC(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl 1 2.647 1 3 -9.38875264167629 2356448 CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2CC2)[N+](=O)[O-] 1 1.615 2 5 0 -16.6170735324254 2356441 CC1=NC=C(N=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2 1 1.515 3 3 0 -18.9280781804761 2356437 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2CCCCCCC2 1 1.925 3 3 0 -16.631315293248 2356404 CCC1=CC=C(C=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl 1 5.383 1 3 -4.21298249526812 2356402 COC1=CC=CC(=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2 1 3.089 1 4 -15.3499030131665 2356343 C1CCN(C1)C(=O)COC(=O)COC2=CC=C(C=C2)Cl 1 1.911 1 4 0 -8.32449115049938 2356322 C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=NC=C3 1 1.807 4 3 0 -8.06195366945425 2356314 C1COCCN1C2=CC=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4 1 2.807 4 4 0 -8.96408073863113 2356300 C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)OC(F)F 1 4.471 4 2 -3.82384987625809 2356289 C1=CC=C(C(=C1)/C=C/C=NNC2=CC(=C(C=C2)Cl)C(=O)O)[N+](=O)[O-] 1 3.997 3 4 0 1.11939440912303 2356262 CN(C1CCCCC1)C(=O)COC(=O)COC2=CC=C(C=C2)Cl 1 3.309 1 4 -8.75809761570211 2356259 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)N2CCCC2 1 1.792 2 5 0 -11.508826574716 2356252 C1CCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)OC(F)(F)F 1 3.531 1 4 -6.74393012470149 2356240 CCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCC2 1 1.744 1 4 0 -10.6145221330999 2356238 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=C(O4)[N+](=O)[O-] 1 4.231 3 6 0 1.51549115571731 2356218 CC1=C(N=C2N1C=CC=C2)C(=O)NN=CC3=CC=C(C=C3)N4CCOCC4 1 1.984 5 2 0 -10.9303316830426 2356214 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=CC3=C(C(=C(C=C3)OC)OC)OC)C 1 4.067 4 4 0 -13.7515602333102 2356201 CC(C)(C(=O)OCC(=O)N1CCCC1)OC2=CC=C(C=C2)Cl 1 2.707 1 4 -3.94890725266453 2356199 COC1=CC(=CC(=C1)C(=O)OCC(=O)N2CCCC2)OC 1 1.379 1 5 0 -12.3676117576626 2356189 CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCCC2 1 3.728 1 3 -4.0754935346033 2356187 CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2CCCC2 1 3.478 1 3 -6.2289254808396 2356170 CN(C1CCCCC1)C(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.627 1 3 -6.31217309573166 2356158 COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCC2)[N+](=O)[O-] 1 1.746 2 6 0 -15.8301635827474 2356144 CC1=C(N=C2N1C=CC=C2)C(=O)NN=CC3=CC=CS3 1 2.088 4 1 -11.2842384890758 2356141 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3 1 2.302 1 5 -13.9296172318658 2356130 COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=C3CCCCC3=NC4=CC=CC=C42 1 3.995 2 5 0 -10.2362525572058 2356052 C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 4.442 4 3 0 -5.01689485444914 2356049 C1=CC2=C(C=CC(=C2)C=NNC(=S)NC3=CN=CC=C3)N=C1 1 3.121 5 0 -4.66294711166654 2356045 C1=CC=C(C=C1)NC(=S)NN=CC2=CC3=C(C=C2)N=CC=C3 1 4.272 4 0 -4.5087044778244 2355993 C1COCCN1CC(=O)NC2=NC3=C(S2)C=C(C=C3)Br 1 2.018 3 2 -3.60744990807565 2355982 C1C(=O)N(C(=S)S1)NC(=O)C(=O)NN2C(=O)CSC2=S 1 0.619 4 4 0 -8.75017898128696 2355966 COC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=CC(=C2)OC)OC 1 1.332 2 7 0 -16.9349460014545 2355965 C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-] 1 1.865 3 6 0 -6.66613247055024 2355944 COC1=C(C=C(C=C1)S(=O)(=O)NCCCCC(=O)O)C(=O)O 1 0.861 1 7 0 -17.8145418544467 2355925 C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)NCC4=CN=CC=C4)Cl 1 2.264 5 4 0 -17.4823222559835 2355914 C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=NC4=CC=CC=C43)Cl 1 3.962 2 1 -10.6943007574821 2355911 C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NC4=CC=CC=C4C(=O)N5CCC6=CC=CC=C6C5 1 5.126 3 4 0 -16.0048806823296 2355899 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 3.261 5 4 0 -18.908851014021 2355897 CN(C1=CC=C(C=C1)OCC(=O)N2CCCCC2)S(=O)(=O)C3=CC=CS3 1 2.476 2 4 -13.6794939773577 2355893 CCN(CC1=CC=NC=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.83 3 4 0 -25.2669668653384 2355891 C1=CC=C(C(=C1)C(=O)NCC2=CC=CC=N2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)NCC4=CC=CC=N4)Cl 1 2.694 5 4 0 -17.2352052195096 2355879 C1COCCN1C2=NC(=C(S2)C=NNC(=O)C3=CC4=CC=CC=C4C=C3O)C5=CC=CC=C5 1 3.815 4 3 0 4.21124430314949 2355850 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N 1 3.584 2 4 -13.378536803105 2355819 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)N5C=NN=N5 1 3.283 6 1 0 -20.5797957016063 2355770 CC1(CC(=CNC(=O)C1)C2=CC=CC=C2)C 1 2.092 1 1 -5.89938737763854 2355704 CC1=CC=C(C=C1)C(=O)N=C2C3=CC=CC=C3CN2C4=CC(=C(C=C4)OC)OC 1 4.736 2 3 -8.84246374381136 2355674 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=O)C=C(N2)N 1 0.765 5 4 0 -17.040204787062 2355657 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCOCC3 1 1.288 3 4 0 -6.72765086987722 2355650 CC1=CC(=NC2=C1C(=O)N(N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.411 3 1 -0.126253717095184 2355601 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)N 1 0.276 4 7 0 -32.0124753778 2355596 CC1=CC=C(C=C1)C(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.952 1 5 -24.134415160376 2355594 COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2)OC 1 1.477 1 6 0 -19.9769257170369 2355565 C1CCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.74 1 3 -7.53056472441867 2355564 CC1=NC=C(N=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2 1 1.059 3 3 0 -17.7120976390414 2355502 COC1=CC=CC=C1NC(=O)COC(=O)C2=NC=CN=C2 1 0.432 3 4 0 -14.6432784281537 2355493 COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)NC2=CC=C(C=C2)SC(F)F 1 3.636 1 6 0 -12.9555521724063 2355490 C1=COC(=C1)CNC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 1.419 1 5 0 -21.3601130669649 2355486 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=CC=CC=C3C#N 1 2.725 3 5 0 -25.954278459827 2355483 C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=NN=C(N)N)OCC3=CC=CC=C3 1 3.997 4 2 0.137589339852971 2355477 CSC1=C(C=CC=N1)C(=O)OCC2=CC=C(C=C2)Br 1 3.947 1 2 -8.63015751624571 2355460 C/C=C/C(=O)OCC(=O)NC1=C(C=C(C=C1)F)Cl 1 2.627 1 3 -5.47999745868608 2355446 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.291 3 4 0 -11.7352069220013 2355441 C/C=C/C(=O)OCC(=O)NC1=CC=CC=C1Br 1 2.505 1 3 -7.83005485460431 2355406 C1=CC(=CC=C1CCNC(=O)COC(=O)C2=CC=C(C=C2)F)F 1 3.06 1 3 -11.6577751760608 2355404 C1=CC=C(C=C1)CCNC(=O)COC2=NC=NC3=CC=CC=C32 1 2.875 3 2 -6.48536404253965 2355403 C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CNC3=O 1 1.414 2 4 0 -10.2151570319034 2355400 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NCC3=CC=CC=C3 1 1.246 2 6 0 -24.5389213884291 2355381 C1=CC=C2C=C(C=CC2=C1)NC(=O)COC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 3.018 1 5 -8.33400059740686 2355354 C1CCCN(CC1)C(=O)COC(=O)COC2=CC=C(C=C2)Cl 1 2.824 1 4 -8.67895966466746 2355351 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CSC3=CC4=CC=CC=C4C=C3 1 3.398 1 5 -13.2617952925966 2355337 CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.333 3 4 0 -11.9402272181915 2355328 COC1=CC=C(C=C1)NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32 1 3.546 2 4 -13.9008644377383 2355293 C1CN(CCN1C/C=C/C2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3 1 2.972 3 1 -4.52631547042591 2355284 CC1=NC(=NC=C1)SCC(=O)C2=CC3=CC=CC=C3O2 1 3.247 2 2 -3.58201275319127 2355261 CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=CC=C2Br 1 3.619 1 3 -12.4690240966385 2355260 C1COC(=CO1)C(=O)OCC(=O)C2=CC=CS2 1 0.808 0 5 0 -12.5441284382968 2355231 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC=CC=N3 1 0.843 5 2 0 -19.982604674852 2355202 C1CCC(C1)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F 1 3.899 1 3 -8.34966797141816 2355193 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=CO3 1 1.126 1 6 0 -9.85868514869153 2355186 CC1CCN(CC1)C(=O)COC(=O)C2=NNC3=CC=CC=C32 1 2.192 3 3 -19.162418696668 2355175 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C=C(C=C2C)C)C 1 3.501 2 4 -14.3091356322873 2355165 CC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCC2 1 1.898 1 3 0 -9.50637572088276 2355161 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CS2 1 2.282 1 3 -15.1006823633255 2355138 C/C=C/C(=O)OCC(=O)NC1=CC(=C(C=C1)OC)OC 1 1.724 1 5 0 -11.6088896220956 2355136 CC1=CC=C(S1)C(=O)OCC(=O)NC2CCCCC2 1 2.702 1 3 -11.8711196555124 2355129 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 1.343 6 3 0 -18.0961301597046 2355113 C1CCC(C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.476 1 3 -8.87165239064452 2355109 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=CO2)N 1 -0.363 3 6 0 -15.3724752028413 2355069 COC1=C(C=C(C=C1)CCNC(=O)CSCC2=CC=C(C=C2)Cl)OC 1 3.974 1 3 -15.1893846965749 2355068 COC1=C(C=C(C=C1)CCNC(=O)CSC2=CC=CC=C2)OC 1 3.303 1 3 -13.3265852905486 2355064 C1=COC(=C1)C(=O)COC(=O)CC2=CC=CS2 1 2.324 0 4 -10.231496315294 2355038 CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)NC2CCCCC2 1 2.437 2 4 -14.6791093333575 2354999 CC1=CC(=NC(=N1)NC2=NC(=CS2)C3=CC=CC=C3)C 1 2.994 4 0 3.3948128395686 2354998 C1COCCN1C2=NC(=C(S2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 3.699 2 2 0.847286429035218 2354992 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=NN3 1 1.609 5 3 0 -17.1850653401892 2354977 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCOCC3 1 1.905 2 4 0 -9.95154463696329 2354969 CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=NOC(=C3)C)C)C 1 4.185 3 4 0 -16.5044884963301 2354964 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC(=C(S2)C(=O)OCC)C 1 3.197 2 5 0 -21.1471697138604 2354963 CCOC(=O)C1=C(C=C(S1)NC(=O)C2=C(C=CS2)C)C 1 3.822 1 3 -9.53649991410107 2354962 C1=CC(=CC(=C1)OC(F)F)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.453 2 4 -11.4628467695745 2354951 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=NOC(=C3)C 1 3.213 3 4 0 -17.5097517270743 2354941 C=CCNC1=C(C(=C(S1)C(=O)C2=CC=CC=C2)N)C3=NC4=CC=CC=C4S3 1 4.999 3 1 -5.18400751204446 2354910 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)Br)F 1 3.09 2 5 0 -17.7481822058399 2354889 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)C=C(C=C6)OC 1 4.439 4 5 0 -16.4992088279321 2354876 CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 4.106 2 6 0 -12.3776242480843 2354844 C1COCCN1C2=CC=C(C=C2)C=NNS(=O)(=O)C3=CC=C(C=C3)Br 1 2.984 3 3 -1.3914348221214 2354813 C1CC1C(=O)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.335 3 3 -7.6162505594586 2354804 C1=CC(=CC(=C1)Br)C=NNC(=O)CNC2=CC=CC(=C2)C(F)(F)F 1 4.034 3 1 -1.34421441001309 2354794 C1=CC(=CC=C1N)S(=O)C(F)(F)F 1 2.649 1 1 2.82612050957936 2354782 CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CC2=CSC=C2)C 1 3.477 1 3 -11.8635510295702 2354776 C1COCCN1C2=CC=C(S2)C=NNC(=O)C3=CC=CC=C3Cl 1 3.275 3 2 -5.55315432485116 2354770 C1COCCN1C2=CC=C(S2)C=NNC(=O)C3=CC=CC=C3Br 1 3.359 3 2 -4.63486851498614 2354758 C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=CC=C3O)C4=CC=CS4 1 4.401 4 2 5.02694660330036 2354754 CC1=CC(=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)N3CCOCC3)C 1 3.505 3 2 -4.24629394762459 2354752 COC1=C(C=C(C=C1)CCNC(=O)CSC(=O)C2=CC=CC=C2)OC 1 3.175 1 4 -13.8473064042313 2354737 C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=C(C=C3)O)C4=CC=CS4 1 4.401 4 2 3.19548740733402 2354736 C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=CC=C3Br)C4=CC=CS4 1 5.391 4 1 1.89436774091099 2354735 CC1=NN(C(=C1C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)N5CCCC5)C6=CC=CC=C6 1 6.073 6 1 0 -4.97197643454053 2354726 COC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=CC(=CC=C2)Cl 1 3.004 1 4 -5.98303044273581 2354711 CCOC(=O)C1=C(SN(C1=S)C2=CC=CC=C2C)N 1 3.548 2 2 -3.7950793509747 2354700 CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N4C2=NN=C4 1 2.741 4 1 -7.06006023653953 2354685 C1=CC(=C(C(=C1)Cl)CC(=O)NCCC2=CC=C(C=C2)Cl)Cl 1 4.97 1 1 -8.53684402111683 2354598 CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=C(C=C3)Br 1 5.199 2 5 0 -17.5632019281557 2354592 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.79 2 7 0 -24.6506814835542 2354555 CCOC1=CC=CC=C1C2=CC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)OC 1 4.146 3 4 0 -7.5439058310852 2354547 C1=CC(=CC(=C1)Br)NC(=O)CCC(=O)C2=CC=C(C=C2)F 1 3.523 1 2 -3.28062237985753 2354542 C1CCC(CC1)NC(=O)NN=C/C(=C/C2=CC=CC=C2)/Br 1 3.686 3 1 -10.2269985592419 2354532 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 2.414 3 4 0 -14.7346486050601 2354531 CC1=NC(=NC=C1)NC(=O)C2=CC(=CC=C2)OC(F)F 1 2.445 3 2 -8.45584214753887 2354529 C1CC(C1)C(=O)NC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F 1 2.857 2 3 -1.49437099352506 2354515 C1=CC(=C(C(=C1)Cl)C(=O)NC2=CC3=C(C=C2)C=NN3)Cl 1 3.587 3 1 -5.4212156912456 2354514 CC1=NC2=C(S1)C=CC(=C2)COC(=O)C3=CC=CC=C3OC 1 3.597 1 3 -5.31750246666796 2354375 CC(=O)C(=NNC1=CC=CC=C1OC)C(=S)NC2=CC=CC=C2 1 3.917 3 2 -3.47744600724391 2354370 COC1=CC=C(C=C1)CCNC(=O)C2=COCCO2 1 0.84 1 4 0 -8.11592036608531 2354347 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC(=O)C3=CN=CC=C3)OC 1 2.267 3 5 0 -14.9226296607246 2354321 CC1=C(N2C=CC=CC2=C1C(=O)C3=CC(=CC=C3)OC)CCC#N 1 3.776 2 2 -5.9848382663295 2354310 CCOC(=O)C1=C(N(C(=O)C1)C2=CC=C(C=C2)N3CCCCC3)N 1 2.049 3 3 -7.39655177709427 2354295 C1CN(CCN1C2=CC=C(C=C2)O)C(=O)CSC3=CC4=CC=CC=C4C=C3 1 3.933 2 2 1.3247740950011 2354289 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3(CCCC3)C4=CC=C(C=C4)Cl 1 3.827 3 2 -14.9413066773825 2354258 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=O)C3=CC=CC=C3F 1 2.119 3 2 -9.46964666167077 2354226 COC1=NC=C(C=C1)NS(=O)(=O)C2=CC=CS2 1 1.476 2 3 0 -6.16836882945172 2354223 COC1=CC=C(C=C1)C2=CSC(=N2)CC3=NN=C4N3CCCCC4 1 3.581 4 1 -4.37879392241351 2354216 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=CS3)/C4=CC=CS4 1 3.56 3 2 -17.7442960023955 2354193 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3)NCC4=CN=CC=C4 1 4.146 3 3 -7.767694222946 2354181 CC1=C2C(=NC(=NC2=O)C(F)(F)F)N(N1)C3=C(C=CC(=C3)C(F)(F)F)Cl 1 3.591 4 1 0.783957214334622 2354179 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.696 2 6 0 -26.6088377555112 2354167 C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)C3=CC=C(S3)Br 1 3.358 3 1 2.65569893656156 2354159 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=C(C=CC=N4)O 1 2.529 3 4 0 -18.161548936312 2354153 CC1=CC(=NO1)NC(=O)COC2=CC=CC(=C2)OC3=CC=CC=C3 1 3.148 2 4 -12.1651132662852 2354135 CC1=CC(=C(O1)C)C(=O)NC2=C(C=C(C=C2)OC)S(=O)(=O)NC3=CC=C(C=C3)OC 1 2.464 2 6 0 -8.80663921171932 2354130 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSCC(=O)O 1 3.408 2 3 -1.85589811445183 2354116 COC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=C(C=CC=C3F)F 1 4.111 1 4 -17.3250324921557 2354101 CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C)F 1 2.38 3 3 -16.6393651784311 2354094 CC1=C(N2C=CC=CC2=C1C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CCC#N 1 4.351 3 3 -7.79059603771415 2354084 CC1=C(N2C=CC=CC2=C1C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])CCC#N 1 4.351 3 3 -4.17599371055255 2354077 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C)C 1 1.964 4 4 0 -14.2584570961346 2354073 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3CCCCC3)C 1 3.551 3 1 -9.38537416742795 2354069 CSC(=NCC1=CC=C(C=C1)F)NS(=O)(=O)C2=CC=CS2 1 3.562 2 2 -4.69922835947623 2354065 CSC(=NCC1=CN=CC=C1)NS(=O)(=O)C2=CC=CS2 1 2.206 3 2 -6.86027499365352 2354052 CCN(CC1=CC=NC=C1)C(=O)CSC2=CC3=CC=CC=C3C=C2 1 3.327 2 1 -8.90263589766518 2354013 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3)C 1 3.894 4 1 -4.77965703285456 2354012 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C 1 3.878 4 2 -6.76859275272079 2353999 C1C(=O)C(=C(N1NC(=O)COC2=CC(=CC=C2)F)N)C3=NC4=CC=CC=C4N3 1 1.39 5 3 0 -3.84134134492332 2353985 COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(S2)Cl)OC 1 2.858 1 4 -4.76078655347883 2353979 C1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.66 3 3 -8.9567353242304 2353955 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)C 1 3.055 3 3 -11.557416962537 2353924 CC1=NC2=C(C(=C1)C(F)(F)F)C(=O)NC(=O)N2CC3=CC=CC=C3 1 2.967 3 2 -1.77211366853297 2353882 C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)C=NN3)F 1 2.464 3 1 -6.1575726018168 2353872 C1=CC=C(C=C1)N2C3=NC4=CC=CC=C4C3=NN(C2=S)CCO 1 3.238 4 1 -3.51425042794347 2353868 CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NC4=CC=CC=C4OC 1 5.374 2 4 -1.22205223715099 2353861 CC1=C(C(=CC=C1)C)N(C2=NC3=CC=CC=C3S2)C(=O)C4=C(C=CS4)C 1 6.434 2 1 -3.54866299510043 2353847 C1=CC(=C(C(=C1)Cl)C(=O)NC2=C(C=C(C=N2)Cl)Cl)F 1 4.201 2 1 -3.02591091421114 2353836 CCCCOC(=O)NC1=C(C=C(C=C1)OC)S(=O)(=O)N2CCOCC2 1 1.71 2 6 0 -18.6182888535418 2353771 C1C(=O)C(=C(N1NC(=O)C2=CNC3=CC=CC=C32)N)C4=NC5=CC=CC=C5S4 1 2.211 5 2 0 -1.19287271193772 2353746 C1CC2=C(C1)SC(=C2)C(=O)N3C(=O)C4=CC=CC=C4S3(=O)=O 1 2.894 1 4 -2.95334480637666 2353728 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NN3C=NN=C3)F 1 0.473 5 3 0 -19.1609568616462 2353715 CC1=NN(C(=C1)NC(=O)C2=C(C(=CC=C2)OC)OC)C3=CC=CC=C3 1 3.215 3 3 -9.76060975620165 2353710 CC1=C(N2C=CC=CC2=C1C(=O)NC3=CC=C(C=C3)Cl)CCC4=CC=NC=C4 1 4.748 3 1 -4.58179132351529 2353701 CC1=C(N2C=CC=CC2=C1C(=O)NC3=CC=C(C=C3)F)CCC4=CC=NC=C4 1 4.289 3 1 -5.69191298863685 2353655 C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.536 2 5 0 -17.3821379885785 2353652 CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl 1 6.325 1 3 -5.51170434533088 2353649 CCOC1=CC=C(C=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2 1 3.438 1 4 -14.68227511774 2353644 COC1=CC(=C(C=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2)OC 1 3.073 1 5 -13.0655540610678 2353640 COC1=CC=CC(=C1)NC(=O)COC(=O)CCC2CCCC2 1 3.013 1 4 -10.6093914385577 2353611 C1CCCC(CCC1)NC(=O)COC(=O)C2=COCCO2 1 1.429 1 5 0 -13.4430357404076 2353609 C1COC(=CO1)C(=O)OCC(=O)NC2=CC=C(C=C2)C#N 1 0.114 2 5 0 -12.9819727600472 2353606 CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)C3=COCCO3 1 3.652 1 6 0 -8.45268347479211 2353604 CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=CS2 1 2.015 1 4 -12.9125082987565 2353578 CC(C)(C)C(=O)CSC1=NC(=O)C=C(N1)N 1 1.363 3 2 0 -15.3313389844895 2353576 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CN2C=CC(=N2)C(F)(F)F 1 2.506 4 4 0 -12.3950175443132 2353564 C1CCC(C1)NC(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2 1 3.449 1 3 -10.1392800670842 2353549 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.704 3 6 0 -14.2608493740043 2353548 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C 1 4.631 3 5 0 -9.7590485526262 2353543 COC1=CC=CC(=C1OC)C(=O)OCC(=O)NCCC2=CC=CC=C2 1 2.617 1 5 -15.2762655887257 2353534 CCN(C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])C(C)C 1 2.973 3 6 0 -10.7687826786573 2353516 C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC(=C3)C#N 1 4.198 3 3 -11.67319519084 2353505 C1=CC=C(C=C1)CCNC(=O)COC(=O)CC2=CC=C(C=C2)Cl 1 3.349 1 3 -10.8707347776662 2353499 C1=CC=C(C=C1)C(CC(=O)OCC(=O)NC2=C(C=CC=C2F)F)C3=CC=CC=C3 1 4.507 1 3 -11.5070803496961 2353494 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N)Br 1 0.877 3 7 0 -27.0393686839575 2353476 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3C#N 1 1.778 3 5 0 -24.7130472954804 2353470 CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2=CC=CC=C2C#N 1 3.828 2 3 -12.7370207267962 2353446 CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3OC)OC)OC)C4=CC=CC=C41 1 4.32 2 6 0 -10.6939615023555 2353415 C1COC(=CO1)C(=O)OCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 1.795 1 6 0 -11.5737334448102 2353407 CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2CCCC2 1 2.077 2 3 -17.1304549821871 2353394 C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)N3CCC4=CC=CC=C43 1 4.721 1 3 -8.74557115759002 2353386 C1CCC(CC1)CNC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.751 1 3 -8.73882131582535 2353370 CCN(C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O)C(C)C 1 3.589 2 5 0 -16.929209495168 2353327 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 2.727 3 3 -15.3484722086686 2353326 CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 3.193 3 2 -11.2593614147758 2353319 C1CCC(C1)NC(=O)C2=CC=CC=C2OCC3=CC=CC=C3 1 4.007 1 2 -7.57461454954732 2353262 CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])C 1 2.708 2 6 0 -5.9226879911693 2353253 CCOC(=O)NN=CC1=C(C=CC=C1F)F 1 2.422 2 2 -6.31121106002998 2353244 C1=CC=C(C=C1)C2=NC(=CS2)CSC3=CC=CC=C3C(=O)O 1 4.18 1 2 -2.56439709535804 2353231 C1=CC(=C(C=C1CC(=O)NC2=CC3=C(C=C2)NC(=O)N3)Cl)Cl 1 2.841 3 2 -11.7948582034103 2353214 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC(F)F)Cl 1 5.614 1 2 -8.82698371198444 2353203 CC1=C(N2C=CC=CC2=C1C(=O)NC3=CC(=CC=C3)Cl)CCC4=CC=NC=C4 1 4.748 3 1 -3.75231498392144 2353180 C1=CC2=C(C=C1NC(=O)C3=CC(=C(C=C3Cl)F)F)NC(=O)N2 1 2.553 3 2 -11.2104451591638 2353176 CN1CCCN(CC1)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.038 2 1 -7.83473416106092 2353153 CC1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=N2)S(=O)(=O)N3CCOCC3 1 1.225 3 4 0 -24.3685044513422 2353143 COC1=C(C=CC(=C1)SC)C(=O)NC2=C(C=C(C=N2)Cl)Cl 1 3.857 2 2 1.10908650461064 2353107 C1=CC(=CC(=C1)OC(F)F)OCC(=O)NC2=CC=C(C=C2)SC(F)F 1 4.619 1 3 -5.20572060690149 2353094 CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=C(C=CC(=C2)Cl)Cl 1 5.471 1 2 -8.56616906307897 2353053 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=N6 1 5.512 3 3 -12.111810933905 2353039 CC1=C(C(=NN1C2=CC=CC=C2)C)P(=O)(C)OC 1 1.88 2 2 0 0.852676757228838 2353024 C1=CC=C(C(=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)NS(=O)(=O)C3=CC=CS3 1 4.053 2 4 -7.85138271012661 2353006 COC1=C(C=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=C(C=C4)F)OC 1 3.649 3 3 -3.51893657176311 2352989 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=C(C=C2)Br)Br 1 4.081 3 2 -15.7521265104464 2352959 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NC(=O)C=C(N3)N 1 2.431 4 3 0 -13.2459217600363 2352953 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CCCCC3 1 2.496 2 4 -18.6204956954334 2352949 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.227 5 4 0 -29.2466501125195 2352931 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.531 1 8 0 -16.645056063637 2352929 COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CO3 1 1.981 2 7 0 -20.3838868645259 2352857 C1CC2=CC=CC=C2N(C1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F 1 2.361 2 4 -23.2390761966739 2352919 C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CO2 1 1.716 1 4 0 -7.36466551469428 2352910 COC1=CC=CC=C1CNC(=O)COC(=O)C2=NC=CN=C2 1 0.439 3 4 0 -17.583110803719 2352853 CC1=CC(=C(C=C1)C)NC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C 1 6.363 2 3 3.41134792443354e-002 2352848 CC(=O)N1CCN(CC1)C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C#N 1 0.535 3 4 0 -13.7887861190914 2352842 C1=CC=C2C(=C1)N=C(O2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)Br 1 4.449 3 2 -4.04639167576006 2352798 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=NN3 1 1.084 4 3 0 -17.9397324738102 2352787 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=CN=C2)Br 1 1.926 2 3 0 -14.2211504214045 2352765 C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-] 1 3.778 2 4 -7.84015467337744 2352763 C1=CC2=C(C(=C1)SCC(=O)OCC(=O)N)C(=CC=C2)Cl 1 2.505 1 3 -8.12875371979942 2352756 C1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=CO2 1 2.184 1 4 -6.39611845175666 2352753 C1=CSC(=C1)CC(=O)OCC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.926 1 3 -10.8747282984487 2352744 CN1C=NN=C1SCC(=O)NC2CCCCCC2 1 1.857 4 1 0 -21.6067186664735 2352734 C1=CC=C(C(=C1)NC(=O)COC(=O)CC2=CC=CS2)Cl 1 2.974 1 3 -10.7830936031569 2352701 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC=CC=N2)N 1 0.317 4 3 0 -14.464666817304 2352692 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC(=CN=C3)Br 1 1.687 2 5 0 -12.558419903198 2352688 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC=NN2)N 1 -0.77 6 3 0 -17.0878351103378 2352685 C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NC=NN3 1 2.877 4 2 -13.2065826804263 2352661 C1=CC=C(C(=C1)NC(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-])Br 1 2.799 2 6 0 -14.2033579804062 2352656 CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3F)C4=CC=CC=C41 1 4.575 2 3 -6.26320296761512 2352646 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC=CO3 1 1.492 1 6 0 -12.7501941699318 2352633 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4 1 1.38 2 8 0 -27.7519774569391 2352618 C1=CC=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CO2)NC3=CC=CC(=C3)C(F)(F)F 1 4.002 2 4 -9.58340647281865 2352615 CC1=CC=CC=C1OCC(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 3.435 2 5 0 -7.41847790054235 2352607 C1=COC(=C1)CNC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl 1 1.897 2 4 0 -15.1283362895196 2352576 CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2)OCC 1 2.175 1 6 0 -21.2382350485084 2352575 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CC3=CC=CC=C3F 1 2.33 1 5 -12.9120203069487 2352571 CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NCC2=CC=CC=C2 1 3.694 1 3 -15.3448220880748 2352558 CN(CCC1=CC=CC=N1)C(=S)NC(=O)C2=CC=CO2 1 2.739 3 2 -9.43037601427646 2352532 CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3 1 3.724 1 5 -15.9783998486471 2352509 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.991 2 7 0 -18.1888686594044 2352483 CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3 1 4.211 1 5 -16.8924393025553 2352477 COC1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.833 0 5 -16.2250048465516 2352466 CC1=C(SC=C1)C=NNC(=O)C(=O)N 1 0.606 3 2 0 -4.85167541267117 2352461 COC1=CC=CC(=C1)NC(=O)COC(=O)C2=C(C=CC=C2Cl)F 1 3.175 1 4 -9.22189768257773 2352379 CC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.366 2 5 0 -7.57427911270073 2352358 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)NN=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.614 4 3 0 -6.00756000993306 2352351 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NN=CC4=CC5=C(C=C4)N=CC=C5 1 4.956 4 1 -7.55853237868449 2352325 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=CC3=CC(=C(C=C3)OC)O)C 1 3.857 4 3 0 -10.6231932971577 2352324 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)NN=CC3=CC4=C(C=C3)OCO4 1 3.824 3 3 -6.35162043895973 2352315 C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CC2=CC=C(C=C2)Br 1 3.289 2 3 -12.1489884054267 2352291 CC1=NN(C(=C1C=NNC(=O)OC(C)(C)C)N2CCCC2)C3=CC=CC=C3 1 3.85 5 2 0 -6.71468902216037 2352283 C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-] 1 2.371 4 6 0 -7.52508914336629 2352280 C1=CC=C2C=C(C=CC2=C1)NC(=O)COC(=O)/C=C/C3=CC=CS3 1 3.651 1 3 -5.80660775253688 2352278 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])NS(=O)(=O)C3=CC=CS3 1 2.371 4 6 0 -9.52737979824639 2352270 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN=C/C(=C/C2=CC=CC=C2)/Br 1 4.493 2 4 -14.3437171922819 2352248 C1=CC=C2C=C(C=CC2=C1)SCC(=O)NC3=NC4=CC=CC=C4N3 1 3.973 3 1 -1.55876698774149 2352238 CCC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 2.998 5 1 -12.9942800013015 2352228 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CS3 1 2.265 4 3 0 -13.0341300230202 2352220 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3 1 3.089 4 4 0 -7.00412790748084 2352216 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NCCC4=CC=C(C=C4)F 1 4.13 3 1 -6.67766074786066 2352196 CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC=C(S2)C)C 1 3.481 1 3 -7.60428031991261 2352195 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NN3C=NN=C3 1 -0.963 5 4 0 -22.5972641744342 2352192 CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)F 1 3.437 3 2 -6.18057395320781 2352186 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=CC=C(C=C3)Cl)C 1 3.22 5 1 -7.08859635497062 2352182 CN(C)C1=CC=CC(=C1)C(=O)OCCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.655 2 6 0 -18.2982934071873 2352164 C1CN(CCC1C(=O)N)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 2.278 2 3 -2.99015120784421 2352157 C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NC3=NNN=N3 1 2.545 5 2 0 -5.11778285744959 2352148 CC1=C(SC=C1)C(=O)NC2=CC(=NN2C3=CC(=CC=C3)Cl)C 1 4.352 3 1 -4.6877508837806 2352142 CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C3=CC=C(C=C3)OC 1 3.718 3 2 -7.08074757300687 2352096 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CN=CC=C4 1 3.242 2 3 -5.72559714134037 2352089 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC=CC(=O)N2 1 0.968 4 5 0 -17.9384388364593 2352084 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=NC=C2 1 1.178 2 3 0 -13.7644195126036 2352063 C1=CC=C(C=C1)CCNC(=O)COC(=O)CNC(=O)C2=CC=CC=C2 1 1.709 2 4 0 -17.6907996226751 2352039 C1CCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.97 2 5 0 -13.158950748546 2352032 CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.682 2 3 -4.49001606327999 2352008 COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=NC=C2)OC 1 1.138 2 5 0 -13.5029168804595 2351966 CC(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC 1 0.535 2 6 0 -10.6374917665647 2351954 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=NN2C3=CC=CC=C3)N 1 0.357 7 3 0 -25.2108210489 2351947 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=N2 1 1.606 2 3 0 -14.8354435704067 2351941 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CNC(=O)C3=CC=CC=C3 1 1.149 2 6 0 -17.4682688380243 2351921 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CC(=O)N3 1 1.859 4 4 0 -17.297359379067 2351911 C1=CC(=CC=C1C(=O)NC2=CN=C3C=CC(=CN3C2=O)C(=O)O)F 1 4.5e-002 3 4 0 -11.1059496240961 2351902 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3 1 1.135 4 4 0 -23.7164409610474 2351884 C1=CC2=C(C=CC(=C2C(=C1)Cl)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)Br 1 4.814 3 3 -8.63626376262811 2351821 C1CCC(CC1)NC(=O)/C(=C/C2=CC(=C(C=C2)F)F)/C#N 1 3.614 2 1 -11.3586972582877 2351747 C1CN(C2=CC=CC=C21)C(=O)CN3CCN(CC3)C4=NC=CC=N4 1 0.988 5 1 0 -6.80840695168035 2351762 CCOC(=O)C1CCN(CC1)CC(=O)N2CCC3=CC=CC=C32 1 1.913 2 3 0 -12.7887413961365 2351773 COC1=CC(=CC(=C1OC)OC)C(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=N3 1 3.556 3 4 0 -11.6357897479656 2351725 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)NC3=CC=C(C=C3)C#N)CC4=CC=CC=C4 1 5.266 2 4 -12.1075577875792 2351711 C1CCN(C1)C(=O)COC(=O)C2=CC=CO2 1 0.807 1 4 0 -8.42642918241513 2351467 COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.499 1 7 0 -6.26577700901576 2351442 CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 1.704 4 4 0 -20.6489924814555 2351439 C1=CC=C(C=C1)CNC(=O)/C(=C/C=C/C2=CC=CC=C2[N+](=O)[O-])/C#N 1 3.29 3 3 -9.82678195339759 2351399 CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 0.505 5 4 0 -20.0164963613611 2351382 CC1=CC(=C(O1)C)C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 1.492 3 5 0 -6.78089830292995 2351376 C1CN(CCN1CC(=O)C2=CC=C(C=C2)C#N)C3=CC=CC=C3 1 3.084 3 1 -2.01921107062547 2351321 C1=CC(=CN=C1)NC(=O)CCSC2=CC=C(C=C2)Br 1 2.854 2 1 -4.74027817853403 2351361 CC1=CC(=CC(=C1)NC(=O)CN2CCC3=CC=CC=C3C2)C 1 3.587 2 1 -8.69090540793807 2351296 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC(=O)C=C(N2)N)N 1 -1.209 6 4 0 -19.1919882305041 2351294 CC1=CC(=O)N=C(N1)SCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.223 3 2 -23.7507449185932 2351280 C1=CC(=CC=C1CC(=O)OCC(=O)NC2=C(C(=C(C(=C2F)F)F)F)F)Br 1 4.132 1 3 -8.30917526521732 2351271 C1=COC(=C1)CNC(=O)COC(=O)C2=CC=C(O2)Br 1 1.473 1 5 0 -14.4824499544255 2351267 CCCC1=CC(=O)N=C(N1)SCC(=O)N(CC)CC2=CC=CC=C2 1 3.146 3 2 -21.485401799544 2351242 COC(=O)C1=CC=C(C=C1)COC(=O)CCC(=O)C2=CC=CS2 1 3.033 0 5 -14.0009084208732 2351209 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=NC=CN=C3 1 0.217 3 5 0 -14.1391761944954 2351198 COC1=C(C=CC(=C1)SC)C(=O)OCC2=CC=C(C=C2)C(=O)OC 1 3.649 0 5 -2.5477553919637 2351195 CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 1.661 2 5 0 -17.2216232822376 2351184 CCCOC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=N3 1 3.512 1 3 -0.648677710003599 2351118 C1CCC(C1)NC(=O)COC(=O)C2=CC(=CC=C2)OC(F)F 1 2.952 1 4 -11.1521161691316 2351117 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NN=CC3=CC=C(C=C3)C#N 1 1.857 4 4 0 -26.5236353726562 2351114 C1CCC(CC1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 3.863 2 3 -6.2070189001817 2351079 C1CCC(C1)NC(=O)CSC2=NCCS2 1 2.321 2 1 -16.6555131463696 2351060 C1CCC(CC1)NC(=O)COC(=O)C2=CC(=CN=C2)Br 1 2.201 2 3 -12.5488145637454 2351045 CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.249 6 5 0 -22.4910017609642 2351021 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3O 1 2.113 2 6 0 -20.3661125828197 2351014 C1=CC=C(C(=C1)C=NNC(=O)C2=CC=C(C=C2)CSC3=CC=CC4=C3N=CC=C4)Br 1 5.743 3 1 -9.04860411646313 2350978 C1=CC=C(C(=C1)C#N)NC(=O)COC2=C(C=C(C3=C2N=CC=C3)Br)Br 1 4.012 3 2 -4.27903926042797 2350907 CN(C1=CC=CC=C1)C(=O)CSC2=NCCS2 1 2.702 2 1 -13.5766631492884 2350896 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])N 1 -0.344 4 8 0 -15.1908053161205 2350790 CC1=CC=C(S1)C(=O)NCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 -0.599 4 6 0 -22.1805893690232 2350794 C1CC1C(=O)NN=CC2=CSC=C2 1 1.438 2 1 0 -7.80210275623835 2350798 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)N 1 0.451 3 7 0 -12.0328383960463 2350847 C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC(=C3)C#N 1 4.163 3 6 0 -15.111007014363 2350830 C1=CC=C(C(=C1)C=NNC(=S)NC2=CC=CC=C2F)Br 1 5.04 3 0 -4.25385377961757 2350819 CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 1.87 3 5 0 -18.460842977335 2350758 C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.361 3 6 0 -4.58426076939434 2350751 C1=CC=C(C(=C1)NC2=NN=C(S2)SCC(=O)NCC3=CC=CO3)F 1 2.33 4 2 -19.4432377003198 2350726 C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=C(C(=C(C(=C3F)F)F)F)F 1 4.092 3 1 -6.64453655933771 2350707 C1CN(CC2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)Br 1 3.363 2 1 -7.93680246362262 2350696 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.343 5 2 0 -8.52365044396575 2350672 C1=CC(=CC=C1C2=CSC(=N2)CC(=S)N)Cl 1 3.208 2 0 5.04814383699953 2350653 CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)C 1 3.01 2 5 0 -16.890034227765 2350616 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NN=CC3=C(C=C(C=C3)F)F 1 2.39 3 4 0 -20.6742945264633 2350548 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NN=CC3=CC(=CC=C3)O 1 1.737 3 5 0 -21.6544364653953 2350523 CC1CCN(CC1)C(=O)CSC2=NN=CN2C 1 0.917 4 1 0 -22.1278239189459 2350483 C1CC1C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 1.19 3 4 0 -5.93143116743053 2350478 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 1.912 4 6 0 -17.3802112220352 2350470 C1CC1C(=O)NN=CC2=CC=CC=C2Br 1 2.525 2 1 -5.01806167805132 2350265 CC1=CC(=C(C(=C1)C)NC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)/C#N)C 1 6.152 2 2 -10.9145294861736 2350220 C1=COC(=C1)C(=O)CSC2=CC=C(C=C2)Cl 1 3.687 0 2 1.19810739626213 2350217 CN1CCN(CC1)NC(=O)CSC2=C(C=C(C=C2)Cl)Cl 1 2.431 3 1 -2.95843942408412 2350211 COC1=C(C=C(C=C1)CCNC(=O)CSC2=CC=C(C=C2)Br)OC 1 4.051 1 3 -12.0380811197471 2350210 C1=COC(=C1)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl 1 4.312 1 2 -4.47395239130769 2350208 CC1=NC(=NC=C1)SCC(=O)C2=CC=C(S2)Br 1 3.173 2 1 -8.19790142924376 2350190 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(N3)SCC4=CC(=CC=C4)Cl 1 3.481 3 3 -15.8620392882323 2350186 C1=CC(=CC=C1CCNC(=O)CSC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)N 1 3.37 2 3 -13.6115705380684 2350148 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=CC(=NN2C3=CC=CC=C3)C 1 3.727 4 3 0 -18.7402379139745 2350133 CC1=CC(=NO1)NC(=NS(=O)(=O)C2=C(C=C(C=C2)F)F)C3=CC=CC=C3 1 3.576 3 3 -14.3007488659924 2350131 CC1=CC(=NC(=N1)NNC(=O)NC2CCCCC2)C 1 1.497 5 1 0 -7.8348257476832 2350095 C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCC3=CC=CO3 1 3.629 1 4 -10.0713541169421 2350093 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=CC=C6 1 5.066 4 4 0 -19.273507973758 2350087 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OCC(=O)NCC3=CC=CO3 1 3.039 1 4 -15.96782204341 2350083 CC1=NN(C(=C1C=NNC(=O)C2=CC=CC=C2O)N3CCCC3)C4=CC=CC=C4 1 3.698 5 2 0 -0.395871551069788 2350074 CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2Cl 1 3.148 2 3 -12.7879586460199 2350065 CC(C)C1=CC=CC=C1NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 3.957 1 6 0 -14.4235025636078 2350039 CC1=NN(C(=C1C=NNS(=O)(=O)C2=CC=C(C=C2)Br)Cl)C3=CC=CC=C3 1 4.102 4 2 2.11107863818013 2350012 CCCCNC(=S)NNC1=C(C=C(C=C1Cl)Cl)Cl 1 5.507 3 0 -6.01554143319319 2350010 C1CCC(CC1)NC(=S)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 4.43 4 3 0 -13.2799912911198 2350005 COC1=CC=CC=C1CNC(=S)NC2CCCCC2 1 4.083 2 1 -11.3549656023799 2349996 CCCCNC(=S)NC1=CC=CC(=C1)C(=O)C 1 3.58 2 1 -13.9805624573771 2349995 CC1CCN(CC1)C(=S)NCCC2=CC=CC=C2 1 4.267 2 0 -14.2771252821022 2349988 CC(=O)C1=CC(=CC=C1)NC(=S)NC2CCCCC2 1 4.11 2 1 -10.8645253912003 2349981 CCCCNC(=S)NC1=CC=CC=C1CC2=CC=CC=C2 1 5.815 2 0 -11.101375198147 2349977 C1CCC(CC1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 3.126 3 2 -15.4457272266049 2349968 CCCCNC(=S)NC1=CC=C(C=C1)C(F)(F)F 1 4.783 2 0 -6.94059282165494 2349967 C1CCC(CC1)NC(=S)NCC2=CC(=CC=C2)Cl 1 4.764 2 0 -6.70499695905354 2349958 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NN=CC2=CC=C(C=C2)N3CCOCC3 1 3.769 3 3 -3.47691604484881 2349949 CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CC(C)(C)C 1 3.389 1 3 -9.44714011064742 2349943 CCOC(=O)NN=CC1=C(C(=CC=C1)Cl)Cl 1 3.339 2 2 -2.11026047110923 2349931 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C(=C(C=C2)F)F)F)OC 1 2.905 1 5 -14.0674806099743 2349908 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)Cl)Cl)Br 1 4.885 1 3 -7.45239636585626 2349902 COC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)F)F 1 2.716 1 4 -5.60715193174956 2349901 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)F)OC 1 2.699 1 5 -13.7088862256477 2349856 C1CCC(CC1)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl 1 5.428 2 0 -7.64385411901663 2349846 CCNC(=S)NC1=CC(=CC=C1)[N+](=O)[O-] 1 2.755 3 2 -9.82200653276666 2349844 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NC3CCCCC3 1 5.487 3 2 -12.944739960249 2349828 CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)SC(F)F)OCC 1 4.35 1 5 -16.0097971760078 2349800 C1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)CNC(=S)NCC3=CC=CC=C3 1 5.819 4 0 -6.05684804889096 2349799 COC1=NC=C(C=C1)NC(=S)NC2CCCCC2 1 3.742 3 1 -10.1216525512543 2349797 C1=CC=C(C=C1)CCNC(=S)NC2=CC=CC3=C2C=CN=C3 1 4.174 3 0 -7.60476906155991 2349790 CC(C)(C)C1=CC=CC=C1NC(=S)NC2CCCCC2 1 5.771 2 0 -7.61461794971209 2349778 C1CC(=O)N(C1)CCCNC(=S)NC2=CC=CC=C2Cl 1 2.892 3 1 -21.4229932054723 2349772 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35 1 3.349 1 6 0 -10.9594007235316 2349771 C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)C(F)(F)F 1 5.312 2 0 -3.82455575547809 2349764 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.351 3 4 0 -16.1941867558617 2349759 CCOC(=O)C1=CSC(=N1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.408 2 4 -7.90858193555162 2349755 COC(=O)CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3 1 1.727 3 3 0 -12.9631699280613 2349751 CCOC(=O)C1=CSC(=N1)NC(=O)CC2CCCC2 1 2.495 2 3 -11.431252942719 2349737 CN(CC1=CC=CC=C1)C(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)F 1 3.561 2 4 -13.1904001788374 2349735 CCOC(=O)C1=CC2=C(O1)N=C(C=C2C(F)(F)F)C3=CN=CC=C3 1 3.416 2 3 -0.488410258591328 2349729 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 2.973 4 2 -14.6532591509495 2349725 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=C4C=C(C=CC4=NS3)Cl 1 2.825 3 3 -1.05674488880869 2349691 C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=C(O3)C4=CC=NC=C4 1 1.985 4 2 0 -15.2937837232588 2349667 C1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)N=C(S4)C5CC5 1 4.004 3 1 -17.0072098602427 2349636 C1=CC2=C3C(=C1)N(S(=O)(=O)C3=CC=C2)CC4=CC=C(C=C4)C5=NN=CO5 1 2.484 3 3 3.20958925668522 2349602 CN(CCC1=CC=CC=N1)C(=O)NC2=CC=C(C=C2)Cl 1 2.712 3 1 -2.62825673200335 2349598 C1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=C(C=C2)F 1 1.688 3 3 0 -7.19574940991021 2349583 CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3N4CCOCC4 1 3.644 3 4 0 -7.87584609876527 2349456 COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)N)Br)OCC=C 1 2.471 2 3 -12.6695957829768 2349433 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C3=NN=C(O3)C4=CC=C(C=C4)Cl 1 3.638 3 4 0 -10.8773019037912 2349392 CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=C(N(N=C4C)C5=CC=CC=C5)C 1 5.659 6 2 0 -22.2255583624093 2349370 COC1=CC=C(C=C1)NC(=O)C2=C(N=C3N2C=CC=C3)Cl 1 2.64 3 2 -4.79702566651755 2349367 CC1=CSC(=N1)NC(=O)C2=CC3=C(S2)CCC3 1 2.774 2 1 -7.82288762362075 2349366 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(S3)CCC4 1 4.086 2 2 -7.7839840268333 2349353 C1CCC2=C(C(=O)N(C(=S)N2CC1)C3=CC=C(C=C3)F)C#N 1 3.983 3 1 -9.08338026897574 2349300 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)/C=C/C3=C(N=C4N3C=CC=C4)Cl 1 3.589 4 1 -2.31055371994828 2349298 COC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=C(N=C4N3C=CC=C4)Cl 1 3.367 4 2 -5.38480786604412 2349296 C1CCN(CC1)C(=O)/C=C/C2=C(N=C3N2C=CC=C3)Cl 1 2.671 3 1 -7.29240827383312 2349294 COC1=CC=C(C=C1)NC(=O)/C=C/C2=C(N=C3N2C=CC=C3)Cl 1 3.108 3 2 -6.560999356361 2349289 CC(C)(C)C1=CC=C(C=C1)C(=O)OCCNC(=O)C2=C(N=C3N2C=CC=C3)Cl 1 3.985 3 3 -8.10478557163181 2349288 C1CN(CCN1C2=CC=CC=C2F)C(=O)/C=C/C3=C(N=C4N3C=CC=C4)Cl 1 3.589 4 1 -2.61763239591187 2349254 CC1=CC(=C(C(=C1)C)NC(=O)C2=CC(=O)C3=CC=CC=C3O2)C 1 3.861 1 3 -5.74112644885764 2349249 COC1=CC(=C(C=C1)NC(=O)C2=C(N=CC=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.126 3 5 0 -15.1769550736643 2349240 C1=CC(=C(C=C1Cl)Cl)CCNC(=O)C2=CC(=CN=C2)Br 1 3.869 2 1 -5.56910170412685 2349205 C1COCCN1CCCN2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=C(C=C4)F 1 1.899 4 2 0 -4.51580248158425 2349194 COC1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=C(C=C4)F 1 3.666 3 2 -0.386973203042226 2349173 CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.187 2 6 0 -24.5114127431241 2349172 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NCCC3=CC=C(C=C3)F 1 2.936 1 3 -7.1789169585786 2349149 C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC(=CC(=C3)F)F 1 1.109 4 2 0 -8.31865691815497 2349135 CN(C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.67 4 5 0 -17.9019276229636 2349128 CCOC(=O)C(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)OC 1 8.8e-002 2 7 0 -24.7574622847243 2349110 CC1=CC(=C(C=C1)C(=O)NC2CC(NC(C2)(C)C)(C)C)C 1 2.75 2 1 -10.4071054197656 2349097 CC1=CC(=C(C=C1)NC(=O)C(=NNC2=CC=C(C=C2)C(=O)O)C#N)C 1 3.313 4 3 0 -5.33418109423779 2349041 C1=CC=C2C(=C1)C3=CC=CC=C3C2=NNC(=O)COC4=CC(=CC=C4)Br 1 4.6 2 2 -5.36933765124228 2349040 CC\1(C2=CC=CC=C2N(/C1=C\C=NNC(=O)C3=CC=CC=C3Br)C)C 1 4.319 3 1 6.71079507478768 2349022 C1COCCN1C2=C(C=CC(=C2)C(F)(F)F)NC(=O)CC#N 1 1.802 3 2 0 -6.93765730310605 2349018 CCCN1C(=O)C2=C(NC1=S)SC3=C2CCCC3 1 4.184 2 1 -10.5066336602448 2349012 C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=C(S2)C=CC(=C3)F 1 3.515 2 2 -1.20789094969644 2348978 C1=CC2=NC(=C(N2C=C1)/C=C/C(=O)NC3=CC=C(C=C3)F)Cl 1 3.33 3 1 -5.43615612175161 2348971 CC1=C(N2C=CC=CC2=C1C(=O)C3=CC=C(C=C3)F)CCC4=CC=CC=N4 1 4.915 2 1 -2.89794798589078 2348966 CC1=C(N2C=CC=CC2=C1C=O)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.162 2 4 -5.16766597069199 2348965 CC1=C(N2C=CC=CC2=C1C(=O)C3=CC=CC=C3)CCC4=CC=CC=N4 1 4.71 2 1 -4.57388557587778 2348962 C1=CC=C(C(=C1)C(=O)ONC(=O)C2=CC=CS2)Cl 1 2.95 1 3 -4.95828150268288 2348939 CC1=CC(=NC(=N1)N2C3=NC(=NC(=O)C3=C(N2)C)C(F)(F)F)C 1 1.292 6 1 0 -5.21972909878501 2348924 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)CCC3 1 3.699 1 3 -10.8054041290572 2348921 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=C(N=C4N3C=CS4)Cl 1 3.311 4 1 -0.165287277105241 2348895 C1=CC=C(C=C1)C2=C(N3C=CC=CC3=C2)C(=O)C(=O)NCCO 1 2.026 2 3 -9.60045762199739 2348862 COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(N=C3N2C=CS3)Cl)C(=O)OC 1 2.099 3 5 0 -10.4039330426994 2348861 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=C(N=C4N3C=CS4)Cl 1 3.01 4 1 -10.9751595034569 2348844 C1=CC(=CN=C1)C2=NC(=CS2)C3=CC=CS3 1 2.96 2 0 3.88118373874422 2348766 COC1=NC=C(C=C1)NC(=O)CC2(CCCC2)CC(=O)O 1 1.622 2 4 0 -7.30387398574224 2348758 C1CCC(C1)(CC(=O)N2CCC(CC2)C(=O)N)CC(=O)O 1 0.354 2 4 0 -6.02474413965208 2348754 C1CCC(C1)(CC(=O)NC2=CC=CC=C2C(=O)N)CC(=O)O 1 1.252 2 4 0 -7.95912711648565 2348752 C1CC2=C(C1)SC(=C2)C(=O)NC3=CC=CC=C3OCCOC4=CC=CC=C4NC(=O)C5=CC6=C(S5)CCC6 1 6.776 2 4 -10.3112707350573 2348701 C1=CC2=NC(=C(N2C=C1)C(=O)NC3=CC=C(C=C3)F)Cl 1 2.862 3 1 -3.67218243190816 2348690 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(N=C4N3C=CS4)Cl 1 2.156 3 3 -8.06977925832115 2348672 CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3CCCCC3)N)C 1 3.45 3 1 -7.95879270461621 2348631 CC1=CC=CC=C1NC(=O)C2=C3CCCC3=NC4=CC=CC=C42 1 4.351 2 1 -6.36460278834474 2348608 C1=CC=C(C=C1)NP(=O)(CCl)C(Cl)(Cl)Cl 1 4.198 1 1 0.335962359983324 2348603 CN(C1=CC=C(C=C1)OCC(=O)NC2=NC(=CS2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F 1 4.293 3 4 0 -5.99330112488545 2348600 CN(C)CP(=O)(NC1=CC=CC=C1)N(C)C 1 0.477 3 1 0 -1.63029854427657e-002 2348592 CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3CCCC3)N)C 1 2.664 3 1 -6.76339756649298 2348562 CCOC(=O)C1CCN(CC1)C(=O)CC2(CCCC2)CC(=O)O 1 1.556 1 5 0 -9.30826691075928 2348557 CC(C)C1=CC=CC=C1NC(=O)CC2(CCCC2)CC(=O)O 1 3.444 1 3 -5.47739804675265 2348553 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCC3=CC=C(C=C3)Cl 1 2.558 2 4 -19.8144456232049 2348521 C1CCN(C1)C=NC2=NC(=CS2)C3=CC=C(C=C3)Br 1 3.491 3 0 9.29115083814786 2348507 CC1=CC=C(C=C1)NC(=O)C2=C3CCCC3=NC4=CC=CC=C42 1 4.351 2 1 -3.72180681011749 2348506 CC1=CC(=C(C=C1)C)SCC(=O)NC2=CC(=NN2C3=CC=C(C=C3)F)C 1 4.819 3 1 -8.35650484591716 2348441 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32 1 3.512 2 5 0 -16.4667464096578 2348438 C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3 1 3.871 2 3 -9.03836808106504 2348412 CC1=NN(C(=C1C=NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3)Cl)C4=CC=CC=C4 1 3.925 5 3 0 -5.55896150485438 2348406 C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 2.587 3 5 0 -9.39181930605777 2348349 C1COCCN1C2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4 1 2.807 4 4 0 -10.9663713935112 2348344 C1=CC=C(C(=C1)C(=O)NN=CC2=CN=CC=C2)NS(=O)(=O)C3=CC=CS3 1 1.807 4 3 0 -9.96097195065932 2348339 C1COCCN1C2=CC=C(S2)C=NN3C=NN=C3 1 0.972 5 1 0 -0.546753463484763 2348321 C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CC=C3Cl 1 4.543 2 3 -13.8508047492655 2348320 C1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)F 1 2.995 1 3 -3.42384516251332 2348304 COC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2=C(C=CC=C2F)F 1 3.184 1 4 -6.30978062043309 2348300 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 3.444 1 4 -7.47353586174292 2348290 C1=CC=C(C=C1)C(CC(=O)OCC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=CC=C3 1 4.507 1 3 -10.5095425289813 2348264 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4 1 2.725 3 5 0 -9.55396896442103 2348260 C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] 1 3.789 2 5 0 -8.55062686780702 2348253 C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl 1 5.111 1 3 -7.22848525892417 2348205 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)/C=C/C3=CC=CS3 1 4.362 1 3 -13.0746737549048 2348203 C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=CC=C3Cl)C4=CC=CS4 1 5.307 4 1 0.976081931045976 2348187 C1=CC=C(C(=C1)CNC(=O)COC(=O)/C=C/C2=CC=CO2)Cl 1 2.856 1 4 -11.5474268267773 2348184 CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 3.878 2 5 0 -7.52361557682257 2348160 C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)COC(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 4.251 2 6 0 -7.27494596352743 2348156 C1=CC=C(C=C1)CNC(=O)COC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F 1 3.738 1 3 -5.6704650813594 2348112 C1=CC=C(C=C1)OC2=CC(=CC=C2)OCC(=O)NC3=NC=CC=N3 1 2.752 3 3 -5.06668372050118 2348083 CN(C1=CC=CC=C1C(=O)O)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 2.869 1 6 0 -9.46891014020119 2348079 CN(C1=CC=CC=C1C(=O)O)C(=O)/C=C/C2=CC=C(C=C2)OC 1 2.901 1 4 -6.44320720694908 2348066 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(C)C 1 2.027 3 2 -6.67325511475665 2348061 C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CO4 1 2.539 3 3 -10.5714019235914 2348035 CN1C=NN=C1SCC(=O)N2CCC(CC2)CC3=CC=CC=C3 1 2.406 4 1 -15.3611911498084 2348019 CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.871 3 4 0 -13.4222081823836 2348005 C1CCC(C1)(C2=CC=C(C=C2)F)C(=O)OCC(=O)N3CCOCC3 1 2.299 1 4 -8.32224302117325 2348004 CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)N2CCOCC2 1 2.266 1 4 -15.3942030739671 2347995 CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCOCC2)OCC 1 1.303 1 6 0 -18.379002287618 2347994 C1COCCN1C(=O)COC(=O)C2=CC(=C(C=C2Cl)F)F 1 1.714 1 4 0 -9.87219781002116 2347991 CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N2CCOCC2 1 1.845 1 4 0 -8.74518771190296 2347986 CC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCOCC2)C 1 1.611 1 4 0 -9.26661570765119 2347982 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N4CCOCC4 1 1.863 2 6 0 -27.8220134949497 2347973 COC1=CC2=CC=CC=C2C=C1C(=O)OCC(=O)N3CCOCC3 1 1.53 1 5 0 -11.4824149079103 2347969 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4Cl)Cl)Cl)OC 1 6.708 2 3 -4.26682332166231 2347928 CC1=CSC(=N1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 2.267 4 2 -13.4474581619729 2347892 CCN1C(=NC2=C1C=CC(=C2)C3=NN4CC5=CC=CC=C5C4=N3)C 1 3.425 5 0 4.42767457068873 2347880 C1=CC=C(C(=C1)C2=CSC(=N2)C3=CN=CC=C3)F 1 3.212 2 0 5.02250501377001 2347877 CCOC(=O)C1=CC(=NN1C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OC 1 4.112 2 5 0 0.237555955266852 2347867 CCOC(=O)C1=CC(=NN1C2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)OC 1 4.112 2 5 0 -1.58049344278189 2347844 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C 1 3.852 2 5 0 -10.4764581139014 2347806 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)/C=C/C2=CC=CO2 1 2.079 2 6 0 -8.2954840478284 2347804 CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F)C 1 5.19 1 3 -2.17888631453982 2347781 COC1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.667 2 6 0 -9.96949294189194 2347772 COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.421 1 5 -6.24574415768865 2347759 CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC 1 2.513 1 5 -8.3903625550266 2347750 CC1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F 1 4.218 1 3 -3.47601986966161 2347743 C1=CC=C(C=C1)CNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.69 2 5 0 -12.3310111464437 2347707 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3)NS(=O)(=O)C4=CC=CS4 1 1.967 2 3 0 -11.5321805713181 2347692 C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3/C=C/C(=O)NCCO)C4=CC=CC=C4 1 2.925 3 4 0 2.60944239154438 2347673 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)Cl 1 1.238 5 3 0 -13.7786271749769 2347622 C1=CC(=CN=C1)C2=NC(=CS2)C3=CC=CO3 1 2.402 2 1 5.62350885602391 2347621 COC1=CC2=C(C=C1)C=C(C=C2)C3=CSC(=N3)C4=CN=CC=C4 1 3.898 2 1 9.49924317024444 2347614 CC1CCN(CC1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C 1 2.382 2 3 -10.2302507779102 2347592 CC(C)CCN1CC(=O)C(=C1N)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 4.049 3 1 -0.901624710184826 2347564 CC1=NN(C2=C1C=C(S2)C(=O)C3=C(N(C(=O)N(C3=O)C)C)N)C4=CC=CC=C4 1 2.085 5 3 0 -13.7382362692526 2347551 C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)NC(=O)N3)F 1 1.683 3 2 0 -14.5466435871599 2347537 CC1=CC(=NO1)NC(=O)CSC2=CC3=CC=CC=C3C=C2 1 3.055 2 2 -12.8079059254078 2347525 C1CCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F 1 2.854 2 3 -9.38765728552879 2347498 C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC=C(C=C3)Cl 1 4.058 2 2 1.37851914449444 2347477 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NN=CC3=CSC=C3 1 2.96 3 1 -8.56618711230388 2347440 COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)OC 1 4.107 1 3 -8.48228167354891 2347431 CCN(CC)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)N4CCOCC4 1 3.45 5 1 -2.99103976665656 2347404 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N2CCC3=CC=CC=C32 1 1.851 2 5 0 -17.3928893694366 2347395 CC(=CC(=O)OCC(=O)NC1=CC=C(C=C1)Cl)C 1 2.868 1 3 -3.66381107468832 2347383 C1=CC=C(C=C1)OCCC(=O)OCC(=O)NCC2=CC=CO2 1 1.593 1 5 0 -15.6939676884779 2347359 CC1=NN(C(=C1C=NNC(=S)NC)Cl)C2=CC=C(C=C2)F 1 3.405 5 0 -2.74537081239044 2347323 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N3 1 2.915 4 2 -7.44837593888219 2347320 C1CCC(CC1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.421 1 3 -7.57412281092287 2347315 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N 1 1.029 2 5 0 -21.6072579595184 2347291 C1=CC=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CO2)NC3=CC=C(C=C3)SC(F)F 1 4.424 2 4 -15.1139379724037 2347220 COC1=C(C=CC(=C1)C=NNC(=O)N)OC(=O)C2=CC=CS2 1 2.178 3 4 0 -13.9040511047784 2347218 C1=CC=C(C=C1)C(=O)C=NNC(=O)C2=CC=CC=C2Br 1 3.209 2 2 -4.07633983686759 2347172 CC1=NNC(=NC1=O)SCC(=O)NCC2=CC=C(C=C2)OC 1 1.178 4 3 0 -19.850456418761 2347085 CCOC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC(=C(C=C2)C)C 1 3.634 1 4 -13.7410756754255 2347074 C1=CC=C(C=C1)CNC(=O)CSC2=CC=CC=C2C(=O)O 1 2.644 1 3 -15.2647989135325 2347049 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)N 1 1.764 3 5 0 -8.3333113194611 2347046 COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=C(C=C4)C#N 1 4.372 3 4 0 -11.052278562937 2347027 C1=CC=C(C(=C1)/C=C(/C#N)\C(=O)NCC2=CC=CO2)[N+](=O)[O-] 1 2.004 3 4 0 -16.2664541136939 2347019 CNC(=S)NN=CC1=C2C=CC=CC2=C(C3=CC=CC=C31)Cl 1 4.712 3 0 -4.05851197075351 2347005 C1CCC(CC1)CNC(=O)COC(=O)CC2=CC=C(C=C2)Br 1 3.717 1 3 -12.2007042113622 2346983 CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC(=O)N(C)CC3=CC=CC=C3)C4=CC=NC=C4 1 4.834 5 1 -12.7593527899899 2346982 C1=CSC(=C1)C(=O)CCC(=O)OCC(=O)C2=CC=C(S2)Cl 1 3.262 0 4 -10.9091037922156 2346981 COC1=CC=C(C=C1)CNC(=O)CSC2=NC=NN2 1 1.3 4 2 0 -16.6574447457292 2346972 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C)N 1 -0.641 4 7 0 -25.8104748708756 2346968 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 1.545 2 7 0 -24.6115906930386 2346958 CC1=CC=C(S1)C(=O)OCC(=O)C2=CC=C(S2)Cl 1 3.452 0 3 -4.1525535178934 2346946 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)NCC3=CC=CC=C3 1 1.601 2 6 0 -26.5337123994145 2346943 C1=CSC(=C1)C=NNC(=O)CN2C=CC(=N2)C(F)(F)F 1 2.509 4 1 -10.0576278907679 2346927 CCOC(=O)C1=C(SN(C1=S)CC=C)N 1 1.588 2 2 0 -7.29465245285703 2346924 CC(C)C1=CC=CC=C1N2C(=NNC2=S)C3=CN=CC=C3 1 3.722 4 0 -4.79456178521309 2346923 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2CC3=CC=CC=C3 1 3.5 4 2 -13.111954654375 2346919 CCC1=C(C(=CC=C1)CC)N2C(=NNC2=S)C3=CN=CC=C3 1 4.412 4 0 -5.14612175881175 2346917 CCOC(=O)C1=C(SN(C1=S)C2=CC=CC=C2)N 1 3.062 2 2 -4.34601485291289 2346899 CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC#N)C)C3=CC=C(C=C3)OC 1 3.124 4 3 0 -8.51682356892608 2346889 COC1=C(C=C(C=C1)C2=NC(=S)N3C=CSC3=N2)OC 1 3.028 3 2 -8.32780893370194 2346874 COC1=CC(=C(C=C1)OC)N(C2=NCCS2)C(=O)NC3=CC=C(C=C3)Cl 1 4.425 3 3 -6.49184962012511 2346850 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CC#N 1 1.802 3 2 0 -7.51891214771099 2346832 CCN(CC1=CC=CC=C1)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C 1 2.132 2 5 0 -17.1708724792688 2346827 C1=CC=C2C(=C1)C(=NC=N2)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.441 4 4 0 -4.30278053067279 2346696 CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CC=C(S2)C)/C#N 1 3.992 2 1 -11.7976988847162 2346668 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CC=C3 1 1.906 2 5 0 -26.9341494806641 2346667 CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)OC 1 3.087 1 4 -11.4627338324425 2346662 CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CSC=C2)/C#N 1 3.556 2 1 -14.1144203892774 2346638 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F)F 1 2.773 2 5 0 -26.0284168472498 2346627 CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 4.62 2 5 0 -7.63081605822977 2346607 C1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 3.303 1 5 -8.02264121353644 2346594 COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=CNC2=O 1 0.439 2 5 0 -16.2416585648852 2346584 C1=CC(=CC(=C1)Cl)C(=O)COC(=O)C2=C(N=CC=C2)Cl 1 3.328 1 3 -6.78052975920045 2346574 CCOC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=CC=C2 1 2.662 1 4 -14.6952343862032 2346532 CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5 1 4.801 3 4 0 -17.1228581930726 2346513 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=NC=CN=C2 1 0.439 3 4 0 -15.4688529726531 2346501 C1=CC(=CC=C1CNC(=O)COC(=O)C2=NC=CN=C2)Cl 1 1.12 3 3 0 -13.3049310215572 2346494 CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)C2=CN=C(C=N2)C 1 1.865 3 4 0 -16.4543507935193 2346492 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=NNC3=CC=CC=C32 1 2.401 3 3 -19.730579530679 2346487 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CN=C(C=N2)C 1 0.546 4 5 0 -23.5574364463721 2346469 C1=CC=C(C=C1)COC(=O)C2=CC(=C(N=C2)Cl)Cl 1 3.656 1 2 -4.36728261523499 2346465 COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=C(S3)N 1 6.5e-002 5 5 0 -33.9800511603441 2346446 C1C(=O)N(C(=S)S1)N=CC2=CC(=CC=C2)C(F)(F)F 1 3.737 2 1 -0.568053627058701 2346441 CCCNC(=O)NC(=O)COC(=O)/C=C/C1=C(C=CC(=C1)Br)F 1 2.819 2 4 -7.20076890066398 2346426 CCOCCCN1C(=NNC1=S)C2=CC=C(C=C2)Cl 1 3.046 3 1 -3.86346191511874 2346409 COC1=C(C=C(C=C1)NC2=NCCCS2)OC 1 2.26 2 2 -12.110749180976 2346403 CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2C3=C(C=CC(=C3)OC)OC 1 2.762 4 4 0 -10.7392797264589 2346399 CC1=CC=C(C=C1)C2=NNC(=S)N2C3=C(C=CC(=C3)OC)OC 1 4.131 3 2 -2.84100564666777 2346398 CC1(CSC(=N1)NC2=CC=C(C=C2)OC)C 1 2.796 2 1 -0.808990175458885 2346391 COC1=CC(=C(C=C1)OC)NC2=NCCCS2 1 2.26 2 2 -7.18082234293793 2346385 CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2C3=CC(=CC=C3)OC 1 2.779 4 3 0 -10.2432084386802 2346344 C1=CC=C(C(=C1)CC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-] 1 3.092 2 6 0 -10.3109001564233 2346338 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CO2 1 1.961 1 5 0 -11.5464154533971 2346316 COC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 1.383 3 6 0 -13.9777120985713 2346313 C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=NC=C2 1 1.79 1 3 0 -10.2522804167374 2346297 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)C(C)(C)C 1 3.383 0 4 -9.1245059059692 2346294 CCN(CC)C1=CC=C(C=C1)NC(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 2.911 3 6 0 -17.5093761903584 2346267 CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C=C(N2)N 1 1.075 4 4 0 -22.5470502651775 2346266 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(S3)SCC(=O)NCC4=CC5=C(C=C4)OCO5 1 2.752 4 6 0 -18.6983069263385 2346264 CC1CCN(CC1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3 1 1.888 1 5 0 -15.6358173678689 2346231 C1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2 1 1.51 1 4 0 -15.1814152397509 2346228 C1CCC(C1)NC(=O)COC(=O)C2=CC=CC=C2 1 2.147 1 3 -11.6431109546179 2346191 C1CC(=O)N(C1)CCCNC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 0.542 2 4 0 -21.766588813861 2346153 CCCCNC(=S)NC1=CN=C(C=C1)OC 1 3.213 3 1 -13.2376896174312 2346076 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=CC4=C(C=C3)C=NN4 1 2.778 4 3 0 -18.9289320157318 2346073 CN1C=NN=C1SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4OC 1 3.553 5 2 0 -17.5504329366306 2346118 C1CC(CCC1NC(=S)NC2=CC=CC=C2Cl)NC(=S)NC3=CC=CC=C3Cl 1 7.332 4 0 -6.5743561979142 2346110 CCCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])C 1 4.221 3 2 -13.6635131394603 2346083 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4)C 1 6.179 4 3 0 -2.32083616676429 2346066 C1=CC=C(C=C1)C(=NCCC2=CC=C(C=C2)S(=O)(=O)N)NS(=O)(=O)C3=CC=CS3 1 2.846 3 4 0 -11.6637593509665 2345982 CCOC(=O)C1CCN(CC1)C=NC2=NOC(=C2)C 1 1.153 3 3 0 -7.17929033742656 2345972 CCN(CC1=CC=NC=C1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.261 3 3 -12.784565360008 2345963 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5 1 4.607 3 2 0.325253074558694 2345962 CC1=NC(=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 3.814 3 2 -3.33824386008911 2345859 COC(=O)C1=CC=C(C=C1)NC(=O)NCCCl 1 1.466 2 3 0 -9.8309416741646 2345858 CCOC1=CC=CC=C1NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C 1 4.442 2 2 -10.9988609898625 2345854 CCN(CC)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CS3 1 3.789 3 4 0 -16.1504080909157 2345851 C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)C4=CC=C(S4)Br 1 5.169 1 3 -6.98763635166176 2345790 CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC=CS4 1 4.44 2 3 -10.5264456429319 2345751 CCOC(=S)SCC(=O)NC1=NC=CS1 1 2.103 2 2 -10.3849096433331 2345741 C1=CSC(=C1)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.308 1 6 0 -9.11684209099557 2345722 CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CN(N=C3)C4=CC=CC=C4)OCC(=O)NC5=CC=CC(=C5)C 1 5.655 3 4 0 0.790892885744734 2345699 CN1C(=NN=N1)SCC2=CSC(=N2)NC3=CC=CC=C3 1 1.932 6 0 0 -8.80566462525783 2345662 CC(C)C(=O)NC1=NN=C(S1)C2=C(C=C(C=C2)OC)OC 1 2.446 3 3 -9.97200641128461 2345659 COC1=CC(=C(C=C1)C2=NN=C(S2)NC(=O)CC3=CC=CC=C3)OC 1 3.015 3 3 -9.54872370253026 2345653 COC1=CC(=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])OC 1 2.875 4 5 0 -12.1420948380288 2345644 COC1=CC(=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)OC)OC 1 2.964 3 4 0 -9.68772143209213 2345620 CC(=O)CC1=NSC(=N1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4 1 4.273 5 2 0 3.69048463326038 2345521 COP(=O)(/C=C(\Cl)/C1=CC=CC=C1)/C=C(\Cl)/C2=CC=CC=C2 1 3.424 0 2 -1.16152752091514 2345498 CCOC1=CC=C(C=C1)NC2=NCCCS2 1 2.625 2 1 -8.35256104432787 2345496 COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O 1 2.398 1 5 -5.59929580851583 2345468 C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=C(SC(=C2)Cl)Cl 1 2.527 1 4 -2.6534460732886 2345437 CC\1(C2=CC=CC=C2N(/C1=C\C=C(/C#N)\C(=O)NC3=CC=C(C=C3)Cl)C)C 1 4.581 3 1 2.55957461408708 2345404 CCOC1=CC=CC=C1N(C2=NCCS2)C(=O)NC3=CC=C(C=C3)Cl 1 4.79 3 2 -9.44070412981546 2345373 CCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)CCl 1 2.573 3 2 -17.801031342387 2345334 CC1=CC(=C(C=C1)OC)NC2=NC(CS2)(C)C 1 3.283 2 1 -0.138400880449855 2345311 CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)CSC2=NN=C(S2)NC3=CC=CC=C3 1 3.928 4 2 -12.1651753256133 2345306 CC(C)(CSC1=NN=CN1C)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.289 4 2 -15.0814309441091 2345187 COC(=O)C1=CC2=C(C=C1Cl)N3CCCCCC3=NS2(=O)=O 1 2.425 2 4 -7.28474305540661 2345185 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC=C2N 1 1.206 3 2 0 -7.69149225902374 2345178 C1=CC(=CC=C1NC(=S)NCCCCCC(=O)C[N+](=O)[O-])Cl 1 4.217 3 3 -11.7681876506972 2345169 COC1=CC=C(C=C1)NC(=S)NCCCCCC(=O)C[N+](=O)[O-] 1 3.537 3 4 0 -14.0031525504282 2345134 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)N5CCOCC5 1 1.843 3 6 0 -17.584985611467 2345132 CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)C=NN3)S(=O)(=O)N4CCOCC4 1 1.549 4 4 0 -20.5359465428852 2345126 CCOC(=O)C1=C(N(C(=O)C1)C2=CC=CC=C2)N 1 0.97 2 3 0 -7.98395849440617 2345123 C1CCC2=C3C(=NC(=O)N2CC1)NN(C3=O)C4=CC=CC=C4 1 1.739 4 2 0 -9.43480318875812 2345113 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C 1 2.988 1 4 -11.8124977392939 2345105 C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3/C=C/C(=O)O)C4=CC=CC=C4 1 3.886 2 4 9.9987795665365 2345101 CC1=CC(=C(C=C1)OC)N2C(=S)N=NN2 1 3.795 4 1 -3.8037452610263 2345091 C=CCNC1=C(C(=C(C=C1)F)F)N2CCCCCC2=O 1 3.16 2 1 -12.1555549027829 2345078 C1=CC=C(C=C1)C2=NN(C=C2C(=O)O)CCC(=O)O 1 1.786 2 4 0 -6.80437150630118 2345062 COC1=CC(=CC(=C1OC)OC)/C=C(\C2=CC=C(C=C2)C3=CC=CC=C3)/C(=O)O 1 4.875 0 5 -1.55885911640548 2344996 C1=CC=C(C=C1)OC2=CC3=C(C=C2)N=C(S3)N 1 3.269 2 1 5.25791661632427 2344980 COC1=C(C(=CC=C1)OC)C(=O)OCC(=O)NCCCC2=CC=CC=C2 1 3.073 1 5 -14.8772577357493 2344975 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2CCCCCC2 1 1.469 3 3 0 -16.631315293248 2344974 C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl 1 4.718 1 4 -12.7382090693643 2344971 C1=COC(=C1)CNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F 1 1.671 1 5 0 -16.2271154815559 2344932 CCN(CC)C1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2OC(F)F 1 4.348 3 2 -8.02410499268516 2344929 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65 1 4.456 4 4 0 -18.9792833619346 2344906 CCOC1=CC=CC=C1C(=O)OCC(=O)NCCC2=CC=C(C=C2)OC 1 2.965 1 5 -13.484763826667 2344889 CC1=CC=C(C=C1)NC(=O)COC(=O)C2=COCCO2 1 0.721 1 5 0 -10.3562336103766 2344879 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NN=CC3=C(C=CC4=CC=CC=C43)OC 1 4.395 3 5 0 -6.22396350793789 2344873 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3O2)OC 1 3.37 2 4 -14.5613330244017 2344827 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F 1 4.666 3 3 -9.51433076889127 2344799 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=NC=NN3 1 1.436 5 3 0 -21.3623542412944 2344798 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCCCCC3 1 3.137 2 3 -19.6450724559228 2344773 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)NC3CCCCC3)C 1 3.521 4 4 0 -14.8073122831255 2344714 CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2CC2 1 2.862 1 3 -13.3694908033018 2344712 CC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.596 1 5 -12.9696370813796 2344705 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CN3C=CC(=N3)C(F)(F)F 1 2.323 4 3 0 -10.3910035370494 2344677 C1CC1NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)Cl 1 1.854 1 4 0 -12.1896899379933 2344676 C1CC1NC(=O)COC(=O)CC2=CC=C(C=C2)Br 1 2.018 1 3 -11.1951433724588 2344675 C1CCC(C1)NC(=O)COC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.076 2 5 0 -14.470826407398 2344671 CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CN=C(C=N2)C 1 1.293 3 3 0 -18.0945230711502 2344670 C1CC1NC(=O)COC(=O)C2=CC(=C(C=C2Cl)F)F 1 2.31 1 3 -9.8041266924705 2344662 CC1=CC=C(S1)C(=O)OCC(=O)NCC2=CC=CO2 1 1.609 1 4 0 -14.9575611999526 2344661 C1=CC=C(C(=C1)NC(=O)COC(=O)CC2=CC=C(C=C2)Cl)F 1 3.226 1 3 -7.82282889535902 2344658 CC1=NC=C(N=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C32 1 1.012 3 3 0 -18.316539961318 2344655 C1=CC(=CC=C1C(=O)N)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)Cl 1 1.943 2 5 0 -12.6378068928902 2344653 COC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2CCCCCC2)OC 1 3.061 1 5 -15.7201046319474 2344652 C1CCCC(CC1)NC(=O)COC(=O)CC2=CC=C(C=C2)F 1 3.3 1 3 -10.6894676264798 2344647 CC1=CC=CC=C1OCC(=O)OCC(=O)NC2CC2 1 1.556 1 4 0 -11.9243264279354 2344644 COC1=C(C(=CC=C1)OC)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 4.408 1 6 0 -6.63385289578418 2344638 C1CC1NC(=O)COC(=O)C2=C(C=C(C=C2)F)F 1 1.645 1 3 0 -8.43573455025246 2344633 C1CC1NC(=O)COC(=O)CC2=CC(=CC=C2)C(F)(F)F 1 2.211 1 3 -8.00871846736133 2344607 CN1C=C(C=CC1=O)C(=O)NN=CC2=C(/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/CC2)N4CCOCC4 1 1.398 5 5 0 -10.9747159780497 2344592 C\1CC(=C(/C1=C\C2=CC=CC=C2)N3CCOCC3)C=NNC4=CC=CC=C4C(=O)O 1 3.886 3 3 -2.42440603549714 2344585 C\1CC(=C(/C1=C\C2=CC=CC=C2)N3CCOCC3)C=NNC4=CC=C(C=C4)C(=O)O 1 3.886 3 3 -2.88887756245355 2344576 C=CCN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 3.434 1 4 -14.4914675980291 2344562 COC1=C(C=C(C=C1)/C(=C/C2=CC(=C(C=C2)OC(F)F)OC)/C(=O)O)OC 1 4.162 0 6 -6.35618740295572 2344558 C1=CC=C(C=C1)CNC2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.376 4 2 0 -5.2205814919151 2344554 COC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC)OC 1 4.682 2 5 0 -11.8201188425342 2344538 C1=CC(=C(C=C1NC(=O)NCCCl)[N+](=O)[O-])Cl 1 2.17 3 3 -9.03126375121579 2344494 CN(C)CCNC(=O)C(=O)C1=C(C=C2N1C=CC=C2)C3=CC=CC=C3 1 2.705 3 2 -7.2879590321079 2344488 COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CO4 1 4.619 3 3 -6.13125201965249 2344462 C/C(=C\C1=CC=CC=C1)/C=NNC2=NC3=CC=CC=C3N2 1 3.675 4 0 1.67785400081556 2344441 C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)OCC(=O)O 1 4.487 3 4 0 -7.97391990290811 2344423 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)NC3=C(C=CC=C3C)C 1 3.011 3 4 0 -13.1270929991887 2344422 C1CCC(C1)CCC(=O)OCC(=O)NC2=NC3=C(S2)C=C(C(=C3F)F)F 1 4.271 2 3 -9.38634990716758 2344312 C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F)C(=O)N2CC1 1 3.451 4 2 -7.65267936882888 2344311 C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=NC(=CS4)C5=CC=CC=C5)C(=O)N2CC1 1 3.931 4 2 -8.23704750447558 2344304 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2CCCCC2 1 3.178 2 3 -17.3735179562832 2344298 CCN1C2=C(C=C(C=C2)C(=O)OCC)NC1=S 1 3.443 2 2 -7.39766663218986 2344274 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4 1 6.116 4 3 0 -19.7360619528478 2344272 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=CC=N2)N 1 -0.48 4 5 0 -18.1697506387493 2344255 CC1=NC=C(N=C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3 1 0.506 3 5 0 -19.1840901833526 2344236 C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=S)NC(=O)C3=CC=CO3)O 1 2.735 3 4 0 -2.66954918787899 2344226 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NC=NN3)C(F)(F)F 1 3.01 5 3 0 -5.06329282521005 2344182 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC)C(=O)NCCOC 1 2.07 2 5 0 -22.1353987172639 2344168 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)NC3=NC=CS3 1 2.915 2 1 -3.93597932596536 2344086 C1=CC(=C(C=C1Cl)NC(=O)CSC2=NC(=O)C=C(N2)N)Cl 1 2.2 4 2 -13.0795045280761 2344028 C1CCC(=CC1)CCNC(=S)NC(=O)C2=CC=CO2 1 3.634 2 2 -12.6494042722702 2344015 C1CCC(CC1)NC(=O)COC(=O)COC2=CC=C(C=C2)Cl 1 3.103 1 4 -10.0200473308933 2343995 C1CCC(CC1)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.391 1 5 -13.2478995213878 2343926 C1CCN(C1)C(=O)COC(=O)C2=CC=CS2 1 1.365 1 3 0 -11.5599621817296 2343916 C1=COC(=C1)C(=O)NC(=S)NCCC2=CC=C(C=C2)Cl 1 3.876 2 2 -7.33995327794962 2343908 C1=CC=NC(=C1)CCNC(=S)NC(=O)C2=CC=CO2 1 2.203 3 2 -11.7460893421351 2343897 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.62 2 6 0 -13.341684812606 2343881 C1=CC=C(C(=C1)NC(=S)NNC2=C3C=CC(=CC3=NC=C2)Cl)Cl 1 5.554 4 0 -1.03813859288732 2343878 CCCCNC(=S)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C 1 6.336 3 0 -2.09192129019458 2343864 CCOC(=O)C1=C(C=C(S1)NC(=O)NC2=CC(=CC=C2)Cl)C 1 3.955 2 3 -4.48629078296997 2343840 CC(C)N1CC(=O)C(=C1N)C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC 1 2.498 3 3 -4.34383575268234 2343832 COC1=C(C=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)CC4=CC=C(C=C4)Cl)N)OC 1 4.019 3 3 -0.971237714598657 2343817 CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCCC(=O)O 1 3.688 2 2 -12.1671044346352 2343781 C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=O)NCCCl)O 1 1.534 3 3 0 -5.15900338278506 2343763 CN(C)N=CC1=CC=C(C=C1)N2CCOCC2 1 1.413 3 1 0 -0.229040113210726 2343761 COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NC2CCCCC2 1 3.128 1 4 -8.71690797767329 2343710 COC1=CC=CC=C1CNC(=O)CSC2=NCCS2 1 2.486 2 2 -19.8283063396088 2343675 CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)NN=CC3=CC(=C(C=C3)OC)OC 1 2.887 5 3 0 -23.296994764018 2343645 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O 1 4.235 2 4 0.176010399609045 2343643 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 1.969 5 3 0 -3.4703255040829 2343599 CN1CC(=O)N=C1NC(=O)C2=CC(=C(C=C2Cl)F)F 1 1.83 3 2 0 -5.83792166362767 2343591 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(N=CC=C3)Cl 1 2.828 3 3 -19.0098556512874 2343578 C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)NCCCl)Cl 1 2.17 3 3 -9.69397682786268 2343573 C1=CC(=C(N=C1)Cl)NC(=O)NCCCl 1 1.334 3 1 0 -8.98655068079597 2343552 C1CCC2=C(C1)N=C(S2)CC3=NN4CC5=CC=CC=C5C4=N3 1 3.381 4 0 -2.03049894307649 2343528 C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)COC3=CC=C(C=C3)Cl 1 3.893 2 3 -1.1554293614633 2343526 CN1C=NN=C1SCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 3.238 4 1 -18.6942331853188 2343499 COCCNC(=O)/C(=C/C=C/C1=CC=CC=C1)/C#N 1 1.681 2 2 0 -11.4061760294123 2343479 CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NN=CN2C 1 2.8 4 1 -19.5782310612845 2343478 CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 0.697 5 3 0 -32.0072034846953 2343419 C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CSC3=NC=NN3 1 3.428 4 1 -13.0408924165693 2343397 CC(=O)NNC(=S)NCCC1=CC=CC=C1 1 1.66 3 1 0 -9.26626722197838 2343389 C1=CC(=CC=C1CNC(=O)CSC2=NC=NN2)Cl 1 1.981 4 1 0 -14.4224798459982 2343373 CN1C=NN=C1SCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 2.679 4 2 -19.3112984630537 2343370 C1=CC(=C(C=C1Br)F)NC(=O)CSC2=NC=NN2 1 2.263 4 1 -10.7272413156042 2343363 CCNC(=S)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-] 1 3.419 3 2 -9.65454843044787 2343358 CCCCCCCCNC(=O)/C(=C/C1=CC=CC=C1[N+](=O)[O-])/C#N 1 4.392 3 3 -17.7591465183755 2343342 CN1C=NN=C1SCC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.69 3 4 0 -16.9829090314049 2343341 CN1C=NN=C1SCC(=O)C2=CC=C(C=C2)OC(F)F 1 2.544 3 2 -10.757392940263 2343331 COCCNC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CS2)OC)/C#N 1 2.583 2 5 0 -24.2114491472486 2343309 C1=CC=C(C=C1)CCNC(=S)NC2=C(C=CC(=C2)F)F 1 4.828 2 0 -6.74774073230132 2343308 C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)N 1 2.651 5 2 0 -8.52228500273556 2343305 COC1=CC=C(C=C1)CCNC(=O)CSC2=NC=NN2 1 1.621 4 2 0 -16.0658912338635 2343301 C1=CC=C(C=C1)CNC(=O)CSC2=NNC(=N2)N 1 1.091 5 1 0 -12.3749957636739 2343294 CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 2.686 4 2 -18.8599234491758 2343293 COC1=CC=CC=C1CNC(=O)CSC2=NNC(=N2)N 1 1.074 5 2 0 -14.0874048991044 2343215 COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)N3CCOCC3)C4=CC=CC=C4)OC 1 3.54 3 4 0 1.6450293953042 2343158 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43 1 4.891 3 3 -8.30682258256063 2343155 CSC(=NCCCN1CCOCC1)NS(=O)(=O)C2=CC=CS2 1 1.662 3 3 0 -7.94028425880708 2343136 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NCC2=NC3=CC=CC=C3N2 1 2.749 3 4 0 -8.73715222716057 2343081 C1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.453 1 3 -3.81213081918292 2343079 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 4.303 2 5 0 -12.7689954531411 2343047 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)O 1 1.957 2 7 0 -10.7656814263437 2343044 COC1=CC=CC(=C1)NC(=O)COC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl 1 4.102 1 4 -1.62816021169192 2343040 C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 1.481 3 6 0 -16.6109885164083 2343013 CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC=CC=C2O 1 2.621 1 4 -11.8283961425446 2342997 C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F 1 2.988 2 4 -13.2730934298527 2342940 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCC4=CC=CC=C4C3 1 4.318 2 2 -15.5367477042 2342937 C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NC=NN3)Cl 1 2.732 5 3 0 -8.26318417157694 2342876 C1=CC=C(C(=C1)NC(=O)COC(=O)/C=C/C2=CC=CS2)Cl 1 3.407 1 3 -7.87688718909114 2342864 C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CC=C2Cl 1 3.46 1 3 -11.1257946988871 2342858 COC1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.667 2 6 0 -6.68233140646839 2342848 COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)/C=C/C2=CC=CC=C2Cl 1 3.421 1 5 -6.32088155800391 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C1CN(CCN1C2=CC=CC=C2O)C(=O)COC3=CC4=CC=CC=C4C=C3 1 3.375 2 3 1.43732617672866 2366409 C1=CC=C2C(=C1)C=CC3=C2C(=O)N=C(N3)C(Cl)(Cl)Cl 1 3.416 2 1 -2.77265842502622 2366372 CCCCCCN1C(=NNC1=S)C2=CC=CS2 1 4.296 3 0 -6.31085951575991 2366366 CC1=CC=C(C=C1)NC(=S)N(CCO)N 1 1.895 3 1 0 -3.18074133302698 2366355 CCCN1C(=C(C(=O)N(C1=O)CCC)SC2=CC=CC=C2[N+](=O)[O-])N 1 2.642 4 4 0 -7.68426044477777 2366352 CCCN1C(=C(C(=O)N(C1=O)CCC)SC2=CC=C(C=C2)C)N 1 3.234 3 2 -2.66872451469646 2366350 CCCCN1C(=C(C(=O)NC1=O)SC2=CC=C(C=C2)C)N 1 2.612 3 2 -2.54703663673782 2366349 CCCN1C(=C(C(=O)N(C1=O)CCC)SC2=CC=C(C=C2)Cl)N 1 3.412 3 2 -0.84672582410964 2366348 CCCN1C(=C(C(=O)N(C1=O)CCC)SC2=CC=CC=C2)N 1 2.748 3 2 -3.59188974001257 2366347 CCCCN1C(=C(C(=O)NC1=O)SC2=CC=CC=C2[N+](=O)[O-])N 1 2.02 4 4 0 -7.56257256681913 2366344 C1=COC(=C1)C2=CN=NN2C3=CC=C(C=C3)S(=O)(=O)N 1 1.499 4 3 0 -4.83925515028121 2366343 COC1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)[N+](=O)[O-] 1 3.276 4 3 0 -1.95163453622771 2366338 C1COC2=C(O1)C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3C#N 1 1.986 2 5 0 -15.2597641732523 2366328 COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4N5CCOCC5 1 4.548 3 5 0 -12.4305140211708 2366327 COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CC=C2)OC 1 2.763 1 5 -14.4462284139827 2366325 CCN(C1=CC=C(C=C1)NC(=O)COC(=O)C2=CN=C(C=C2)Cl)C(C)C 1 3.282 3 3 -14.7193543952993 2366300 C1=CC(=CN=C1)NC(=S)NN=CC2=CC(=C(C=C2)F)F 1 3.346 4 0 -4.9813640326301 2366295 COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)NCCC2=CCCCC2 1 3.023 1 6 0 -19.0018360792504 2366281 COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NCCC2=CCCCC2)OC 1 3.507 1 5 -16.5273123010711 2366268 C1=CC=C(C=C1)NC2=NC(=CS2)CSC3=NC=NN3 1 2.382 5 0 -3.49126239661847 2366220 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)Cl 1 4.494 3 3 -16.962848855775 2366257 CC(C)CNC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)F 1 2.097 1 4 -14.8118811932389 2366251 CC(C)[C@@H](C(=O)OCC(=O)N1CCC2=CC=CC=C2C1)NC(=O)C3=CC=CC=C3 1 2.996 2 4 -26.1248811584573 2366240 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 3.202 1 4 -17.4818303907926 2366213 CC1CCN(CC1)C(=O)COC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 2.471 1 6 0 -17.9567136169747 2366160 CC1=CC(=O)N(C(=N1)C(C)C)CC(=O)NC2=CC(=C(C=C2)OC)Cl 1 2.386 3 3 -9.63675011513638 2366153 COC1=CC=C(C=C1)NC(=O)COC(=O)CN2C3=CC=CC=C3N=N2 1 1.967 4 4 0 -14.1778801437561 2366142 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O)N 1 -0.874 4 7 0 -16.6056575656301 2366104 CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.268 2 2 -4.39351234320257 2366096 CCN=C1N(C(=CS1)C2=CC=CO2)N=CC3=CC(=C(C=C3)OC)O 1 3.142 3 3 0.991229507158667 2366087 CC(C)(C)C1=NN(C(=C1)NC(=O)COC2=CC=C(C=C2)Br)C3=CC=CC=C3 1 5.378 3 2 -6.01731806158284 2366086 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 1.284 4 7 0 -28.7141027903412 2366077 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2C(=O)C3=C(C2=O)C(=CC=C3)N 1 1.982 2 6 0 -7.08663316795085 2366062 C1=CC=C(C(=C1)NC(=O)CSC2=NC=NN2)SC3=CC=C(C=C3)Cl 1 4.092 4 1 -10.1273155036539 2366036 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)N 1 1.679 4 8 0 -23.928149005126 2366034 CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C 1 0.968 4 3 0 -19.6073910863022 2366016 C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=CC=N2 1 2.384 2 3 -15.4598705999757 2365991 C1COCCN1C(=O)COC(=O)C2=CC=CC=C2OCC3=CC=CC=C3 1 2.205 1 5 -12.2709476469719 2365982 C1CCC(C1)CCC(=O)OCC(=O)NC2=CC=CC=C2Br 1 3.777 1 3 -12.1044146056429 2365962 C1CCC(CC1)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.068 5 2 0 -17.7160892774333 2365961 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)N 1 1.852 6 3 0 -14.8690954822093 2341532 CC1=C(C=CC=C1Cl)N/C(=C(/C#N)\C2=NC3=CC=CC=C3S2)/SCC(=O)N4CCCCCC4 1 6.499 4 1 -11.5883058280473 2341529 C1CN(CC2=CC=CC=C21)C(=O)CNC3=CC(=CC=C3)F 1 2.768 2 1 -8.01922944671744 2341516 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=CC=CC=C3C(=O)O 1 2.047 1 5 -7.16198396691397 2341510 CN(C1CCCCC1)C(=O)CSC2=CC=CC=C2C(=O)O 1 3.125 1 3 -12.5681174382595 2341508 C1CCCC(CC1)NC(=O)CSC2=CC=CC=C2C(=O)O 1 3.375 1 3 -13.9150364558614 2341506 C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)O 1 3.832 1 3 -13.9150364558614 2341500 CC\1(C2=CC=CC=C2N(/C1=C/C(=O)CSC3=CC=CC=C3C(=O)O)C)C 1 4.242 1 3 1.94297672350339 2341435 C1=CC=C(C(=C1)NC(=O)COC(=O)CC2=CC=CS2)F 1 2.515 1 3 -12.0386090215967 2341431 CCOCCCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=NC=C3 1 3.121 4 1 -13.6661708705176 2341411 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC=C(S3)Cl 1 4.583 2 1 2.08213943367552 2341387 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC=NN3)OC 1 2.221 5 3 0 -11.4895859038101 2341359 CC1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 3.252 2 4 -11.4643852772425 2341267 C1=CC=[N+](C(=C1)SCC(=O)C2=CC=C(C=C2)Cl)[O-] 1 2.836 1 2 -1.19033600143231 2341283 CC1=CC(=C(C=C1)C=NNC(=S)NCC=C)C 1 3.82 3 0 -8.30175675630264 2341294 CCN(C1=CC=CC=C1)C(=O)CSC2=NN=C3N2C(=CC(=N3)C)C 1 3.059 5 1 -19.9838769778557 2341325 C1CN(CCN1C(=O)COC2=CC=C(C=C2)C#N)C(=O)C3=CC=CO3 1 1.234 3 4 0 -9.53105129385624 2341319 CC(C)C1=CC=CC=C1NC(=O)CSC2=CC=CC=[N+]2[O-] 1 2.746 2 2 -9.33002057380283 2341311 C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=CC=CC=[N+]3[O-] 1 1.431 3 2 0 -7.25471706079906 2365949 CN(C)C1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2Cl 1 3.448 2 1 -12.1033712249468 2365885 C1=CC=C(C=C1)CNC2=NC=C(C(=N2)C(=O)O)Cl 1 2.214 3 2 -5.47724856098904 2365878 C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CC(=O)N3CCOCC3 1 0.622 2 4 0 -18.5584930996867 2365876 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C=NC4=CC=CC=C4C3=O 1 2.057 4 2 -6.35135802814973 2365821 C1CC1NC(=O)COC(=O)C2=CC(=CN=C2)Br 1 0.832 2 3 0 -12.7079522297445 2365817 CN(C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.72 2 6 0 -12.5908916512322 2365806 COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)NC2CC2 1 1.185 1 6 0 -15.3321200834838 2365804 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC2CC2 1 1.22 1 6 0 -15.5835021990034 2365802 C1CC1NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 3.361 3 3 -5.97966072914794 2365800 CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2CC2 1 1.165 2 3 0 -17.6440611623542 2365797 C1=CC(=CC(=C1)Br)OCC(=O)OCC(=O)NC2=C(C=CC=C2Cl)Cl 1 4.234 1 4 -7.85469723100115 2365791 COC1=CC=C(C=C1)OCC(=O)OCC(=O)NC2CC2 1 1.053 1 5 0 -12.5594264678229 2365788 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)NC3CC3 1 1.586 1 6 0 -16.7678293452952 2365769 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC=CC=C2 1 3.072 1 3 -15.8264331305516 2365762 CC(C)CCOC1=CC=C(C=C1)C=NN2C(=O)CSC2=S 1 4.359 2 2 -8.070761960391 2365759 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=CN=C2)Br 1 1.91 2 4 0 -13.748258777134 2365755 COC(=O)C1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=CC=CO2 1 2.04 1 6 0 -13.2757795782879 2365750 COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)OC 1 1.747 3 6 0 -19.4917170219085 2365725 C1COCCN1C2=NC(=CS2)CC(=O)NN=CC3=C(C=C(C=C3)Cl)Cl 1 2.702 4 2 -3.40727448964848 2365694 C1CCC(CC1)NC(=O)COC(=O)/C=C/C2=CC=CO2 1 2.466 1 4 -9.15343829987144 2365638 C1=CC(=CC=C1CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 3.092 2 6 0 -7.54925866776279 2365610 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N 1 3.769 3 6 0 -14.3396861753292 2365599 C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)F)F 1 2.739 1 3 -12.2493286879266 2365597 C1CCC(CC1)NC(=O)COC(=O)/C=C/C2=CC=C(O2)Br 1 3.034 1 4 -10.3139404725136 2365527 COC1=CC=CC(=C1OC)/C=C/C(=O)OCC(=O)NCC2CCCCC2 1 3.368 1 5 -10.4416737440797 2365518 CNC(=O)COC(=O)C1=CC(=O)NC2=CC=CC=C21 1 0.127 2 4 0 -15.9148785318152 2365514 CNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)Cl 1 2.634 2 5 0 -24.4806131077552 2365509 C1=CSC(=C1)CNC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl 1 2.456 2 3 -15.8231014571542 2365503 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3 1 0.873 2 6 0 -31.2802376536794 2365500 CC1=NC=C(N=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)C 1 1.67 3 3 0 -16.0355675844254 2365498 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=C(O2)Br 1 1.59 1 6 0 -12.9153276301561 2365479 CNC(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=CO2 1 0.925 2 5 0 -16.5664498029464 2365478 C1=CSC(=C1)CNC(=O)COC(=O)C2=CC=C(O2)Br 1 2.031 1 4 -15.1772151220601 2365431 CC(C)NC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.744 2 7 0 -21.4260110026022 2365424 COC1=CC(=CC(=C1OC)OC)C(=O)CSC2=NC3=CC=CC=C3O2 1 3.645 1 5 -5.75146140780648 2365419 CC1=CC(=NC=C1)NC(=O)C2=CC(=C(N=C2)Cl)Cl 1 2.876 3 1 -2.29208160647635 2365417 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC(=CN=C4)Br 1 4.414 3 3 -1.15741191914342 2365415 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(N=C3)Cl)Cl 1 2.488 5 3 0 -12.2039760455607 2365413 CCCC1=CC(=O)N=C(N1)SCC(=O)NC 1 1.007 3 2 0 -17.3578279391735 2365412 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3F 1 3.31 2 3 -19.5480970615236 2365409 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC4=CC=CC=C43 1 2.929 2 3 -22.3860869945109 2365437 COC1=CC(=C(C=C1C(=O)OCC(=O)NCCC2=CC=CC=C2)OC)OC 1 2.6 1 6 0 -17.3361369749754 2365381 C1=CSC(=C1)CNC(=O)COC(=O)C2=CN=C(C=C2)Cl 1 1.791 2 3 0 -17.672093904805 2365388 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)N3CCC4=CC=CC=C43 1 2.953 1 6 0 -18.3693502643842 2365392 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 1.766 3 7 0 -24.3826378716017 2341255 COC1=CC=C(C=C1)CNC(=O)CSC2=CC=CC=[N+]2[O-] 1 1.543 2 3 0 -12.5747834418298 2341220 CC1=CC=C(C=C1)CNCC(=O)NC2=C(C=C(C=C2)C)Br 1 3.724 2 1 -5.49660241337518 2341200 C1=CSC(=C1)C2=C(SC(=N2)N)C3=CC=CS3 1 3.744 2 0 3.8890577821611 2341173 CCCCN1C(=C(C(=O)NC1=O)NCC2=CC=CC=C2)N 1 1.121 4 2 0 -6.33634262962561 2341172 CCCCN1C(=C(C(=O)NC1=O)NCCC(C)C)N 1 1.119 4 2 0 -10.64426053494 2341171 CCCCNC1=C(N(C(=O)NC1=O)CCCC)N 1 0.867 4 2 0 -7.71791507922952 2341157 C1CCC(CC1)(C(=O)NC2=CC=CC=C2)N(CC3=CC=CC=C3)C(=O)C4=CN=CC=C4 1 4.241 3 2 -12.9679939522638 2341142 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)C3=CC(=CN=C3)Br)C)C 1 3.827 2 1 7.41663115729885 2341112 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)O 1 1.661 2 5 0 -29.309122385245 2341102 CCN1C(=O)CSC1=NS(=O)(=O)C2=CC=CC=C2 1 2.011 2 3 -11.6248978869685 2341070 COCCN\1C(=O)CS/C1=C(/C#N)\C(=O)NCC2=CC=CO2 1 0.17 3 4 0 -17.6095388886876 2341051 CC1=CSC(=N1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2 1 2.281 3 2 -17.2079112065942 2341028 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CN=C(C=N2)C 1 1.647 3 3 0 -18.8643729125408 2341018 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=CC=CC=[N+]3[O-] 1 2.289 2 2 -11.125559202959 2340987 C1CCC(C1)C(=O)NC2=NC3=C(S2)CN(CC3)CC4=CC=CC=C4 1 3.569 3 1 -0.740182159227484 2340900 CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5 1 5.053 3 4 0 -16.5259869737876 2340890 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)OC(F)F 1 4.675 3 4 0 -6.78668665439787 2340869 C1CCCC(CCC1)NC(=O)C2=CC=C(C=C2)C#N 1 3.687 2 1 -9.04004436802269 2340817 C1CSC(=N1)NC(=O)COC2=CC=C(C=C2)C#N 1 1.816 3 2 0 -13.9412259237931 2340805 CC1=CC(=NC2=NN=C(N12)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C 1 2.28 5 3 0 -22.4806419658929 2340783 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC(=O)N 1 1.1 4 4 0 -22.3087295616026 2340728 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=C(C=C(C=C3)F)F 1 3.647 2 1 -8.18402248371952 2340723 COC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 3.076 2 5 0 -14.8349225420337 2340665 C1=CC=C(C=C1)S(=O)(=O)NC2=NNC(=N2)C(F)(F)F 1 1.947 4 2 0 -3.96549527718541 2340644 C1CN(CC2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Br 1 4.808 4 2 -5.93807822779839 2340629 CN(C1=NC2=CC=CC=C2N=C1Cl)S(=O)(=O)C3=CC=CC=C3 1 3.4 3 2 -4.62562448957374 2340609 C1CC1NC(=O)C2=C(C=C(C=C2)F)Cl 1 2.397 1 1 -3.56115612450252 2340585 C1=C(OC(=C1)Br)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C(=C3F)F)F 1 3.527 2 4 -7.07138261438573 2340558 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.11 1 8 0 -18.5806773743755 2340519 C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C3=CC=CS3 1 3.786 2 4 -14.5306378442171 2340496 C1CCCC(CC1)NC(=O)CSC2=NCCN2 1 2.028 3 1 -16.6937159559372 2340492 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCCC3=CNC4=CC=CC=C43 1 3.266 2 3 -16.4973729515392 2340491 C1CC(C1)C(=O)NC2=NC3=C(S2)CN(CC3)CC4=CC=CC=C4 1 3.113 3 1 -0.805631386125399 2340416 CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)N 1 3.348 2 3 -6.46157480934593 2340415 CCN(CC1=CC=CC=C1)C(=O)CSC2=NNC(=N2)N 1 1.645 5 1 0 -13.3940107586942 2340376 CC1=C(C=CC(=C1)NC(=O)CSC2=NNC(=O)NC2=O)Br 1 1.64 4 3 0 -21.3053250581176 2340373 C1=CC(=CC(=C1)NC(=O)CSC2=NNC(=O)NC2=O)C#N 1 0.284 5 3 0 -23.3539062332185 2340366 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)CSC3=NNC(=O)NC3=O 1 1.809 4 4 0 -25.410800473713 2340365 C1CCCN(CC1)C(=O)CSC2=NNC(=O)NC2=O 1 0.408 4 3 0 -22.8694016378187 2340362 COC(=O)C1=NN(C=C1O)C2=CC3=C(C=C2)OCO3 1 1.866 2 5 0 1.84310989137076 2340325 CC1=CC=CC=C1C(=O)NC2=CC=CC=C2N3CCCCC3 1 4.18 2 1 -7.70336966980255 2340303 C1CN=C(N1)SCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 2.909 3 1 -18.3107946502323 2340300 C1CSC(=N1)SCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.115 2 1 -18.6270603548328 2340249 CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 1.993 3 4 0 -10.5478027211587 2340247 C1CN(C2=CC=CC=C21)C(=O)CSC3=CC=CC=[N+]3[O-] 1 1.833 2 2 0 -12.6549295298672 2340241 CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC(=C(C=C2)C)Cl)C 1 3.986 2 3 -7.16936062100954 2340194 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC=CC=C3)NC(=O)C4=CC=CO4 1 3.932 3 5 0 -10.4218275173633 2340072 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCCCC3 1 3.883 2 2 -0.562967818209144 2340013 CC1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C 1 1.68 5 1 0 -2.07571880980637 2340009 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CNCC2=CN=CC=C2 1 1.825 3 5 0 -18.8832423247303 2339953 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=N3 1 2.246 3 2 -10.9100576865348 2339979 COC1=C(C=C(C=C1)/C=C/C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)OC 1 4.299 1 4 -3.60266391481408 2339967 CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC(=O)C3=CC4=CC=CC=C4O3)C 1 5.123 3 2 -4.92667705633986 2339924 CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)C3=CC4=CC=CC=C4O3 1 4.637 3 2 -5.21070433447296 2339907 COC1=CC=CC=C1C(=O)CSC2=NNC(=N2)N 1 1.687 4 2 0 -5.45480748030738 2339904 C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NN=C(S3)NC4=CC=CC=C4F 1 4.356 3 2 -5.30544058772289 2339896 CCN(CC)C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=CC(=N3)C)C 1 3.364 6 1 0 -21.7251587389679 2339893 CCN(C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=CC(=N3)C)C)C(C)C 1 3.742 6 1 0 -20.6103219146785 2339852 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl)NC(=O)C3=CC=CO3 1 3.219 3 5 0 -10.1903740690552 2339850 COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SC 1 2.91 2 4 -5.94360412097011 2339835 COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=C(C=C4)F 1 4.699 2 4 -7.7146623878011 2339814 CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)C3=CC=C(S3)Cl 1 4.998 1 2 -4.37061883716523 2339785 C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NC=NN3 1 2.524 3 2 -3.8479366226259 2339760 CN(C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 2.637 2 6 0 -16.4999417222462 2339728 CC(C)[C@@H](C(=O)OCC(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)NC(=O)C4=CC=CC=C4 1 4.195 2 6 0 -27.5785341404155 2339719 COC1=CC=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.121 2 4 -11.0890152847283 2339699 CC1=C(C=C(C=C1)Cl)NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 2.94 2 2 -5.97002080435313 2339687 CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)N3CCCC3)Cl)Cl 1 3.338 2 2 -4.94734801938073 2339666 CCOC1=CC=C(C=C1)C=NNC(=S)NC2=C(C=CC=C2C)C 1 5.39 3 1 -6.93360726959373 2339636 C1=CC=C(C=C1)SCCC(=O)OCC(=O)NCC2=CC=CC=C2Cl 1 3.634 1 3 -14.6807375502775 2339607 CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CSC(=N3)C4=CC=CC=C4 1 5.288 3 1 -10.2518958704749 2339555 COC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O 1 4.022 3 4 0 -3.84099646145778 2339548 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)CSC3=NC=NN3 1 2.148 6 3 0 -9.99717083756751 2339538 C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl)Cl 1 4.856 2 3 -1.39443034676915 2339494 COC1=CC=C(C=C1)CNC(=O)CSC2=NNC(=N2)N 1 1.074 5 2 0 -11.9731470680385 2339486 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)C3=CC=CC=C3Cl 1 3.53 7 1 0 -12.9184086065907 2339470 C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC(=O)NCC4=CC=CO4 1 2.95 2 6 0 -29.1476787143938 2339459 CC1=CC(=NC2=NN=C(N12)SCC(=O)NC3=CC=C(C=C3)F)C 1 2.71 5 1 -16.0586094736314 2339452 C1=CC=C(C(=C1)NC(=O)CSC2=NNC(=N2)N)SC3=CC=C(C=C3)Cl 1 3.867 5 1 -5.44301782596317 2339430 CCN1CCC2=C(C1)SC(=N2)NC(=O)C3=CC(=C(C=C3Cl)F)F 1 3.404 3 1 -3.98696029935937 2339415 CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 2.877 2 4 -14.8184799497035 2339366 COC1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)OC 1 2.072 2 4 -5.27205764472967 2339359 CCO/C=C/1\C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=CC=C3 1 2.68 1 3 -2.22611731705707 2339352 CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C(=O)O 1 3.275 1 3 -3.36640648431884 2339337 C1CSC(=N1)NCC2=CC=CC=C2 1 2.237 2 0 -7.57468965107299 2339321 CC(=O)C1=CC(=C(C=C1)COC2=C(C=C(C=C2)C(=O)O)OC)OC 1 2.734 0 6 -8.73310905811108 2339313 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O 1 -1.488 2 4 0 -17.2207308634205 2339296 COC(=O)CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CCl 1 0.694 3 5 0 -10.1106901486217 2339171 CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCOCC4)C5=CC=CC=C5 1 3.636 4 2 -6.86105245882461 2339162 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)CC#N 1 1.038 3 3 0 -15.808001639128 2339145 COC1=CC=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC(=CC=C3)F 1 5.306 1 3 -1.25837772322821 2339127 CC1=CC(=CC=C1)NC2=C(C(=C(C(=N2)N)C#N)CC#N)C#N 1 2.718 6 0 -0.631091433011882 2339119 CNC(=S)NN=CC1=CC=CC=C1OCC(=O)O 1 1.696 3 3 0 -11.280180457135 2339108 CN(CC1=CC=CC=C1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC 1 2.25 2 5 0 -9.59705534947245 2339095 CC1=NC=C(N=C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 1.968 4 1 0 -5.9035689459732 2339009 CC1=CC(=CC(=C1)NC(=O)CNC2=CC=C(C=C2)C(=O)OC)C 1 3.102 2 3 -10.2590188680066 2338896 C1=CSC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)F)O 1 2.559 2 6 0 -7.8402000665312 2338889 C1CCC(CC1)NC(=O)COC(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CS3)O 1 2.635 2 6 0 -11.725825405021 2338883 C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CS4)O 1 2.979 3 6 0 -6.46716492485188 2338875 CC1=CSC(=NC2=CC=C(C=C2)OC)N1CCCN3CCCC3=O 1 2.052 3 2 -17.4115578171163 2338872 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CS3)O 1 2.36 2 6 0 -13.570989406223 2338868 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CNCC2=CC=CC=N2 1 2.041 3 5 0 -17.6385388330554 2338856 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.418 5 1 -6.87642523087675 2338853 CC1=CC(=O)N=C(N1)SCC2=CSC(=N2)C3=CC=CC=C3 1 3.147 3 1 -9.16637602746016 2338850 CCN(CC(=O)NC1=CC=C(C=C1)C(=O)OC)C2CCCCC2 1 3.019 2 3 -11.0614735600941 2338838 CC(C)(C)C1=CC=C(C=C1)C(=O)NN2C(=O)CSC2=S 1 3.384 2 2 -7.71028298949427 2338807 CCOC1=CC=CC=C1NC(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C 1 2.109 2 6 0 -16.6738830495341 2338802 C/C=C/C=C/C(=O)OCC(=O)NC1=CC=C(C=C1)Cl 1 2.889 1 3 -3.49597664271723 2338785 CC1=CC(=CC(=C1)NC(=O)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)C 1 3.587 2 4 -17.7817265381343 2338780 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NC2=CC=CC=C2 1 1.776 2 5 0 -12.5766146401073 2338761 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)OC 1 2.417 1 6 0 -16.8096987819226 2338743 C1=CC=C(C=C1)/C=C(/C=NNC2=CC(=C(C=C2)Cl)C(=O)O)\Cl 1 4.471 2 2 -3.71985527573822 2338636 CCOC(=O)CSC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.966 2 6 0 -15.0465872880596 2338547 C1CCC(C1)C(=O)C2=NN=C(O2)C3=CC=C(C=C3)Cl 1 3.61 2 2 3.45764907245542 2338542 C1=CC=C(C=C1)C(=O)C2=NN=C(O2)C3=CC=NC=C3 1 1.789 3 2 0 0.186774731548564 2338541 C1C(=O)C(=C(N1CCCO)N)C2=NC3=CC=CC=C3S2 1 1.009 3 2 0 -1.07869616879488 2338540 CCCCCN1CC(=O)C(=C1N)C2=NC3=CC=CC=C3N2 1 2.702 4 1 -4.72674454077541 2338518 C1CCC(=NCC1)NC(=O)C2=CC=CC3=CC=CC=C32 1 3.158 2 1 -6.69782428292779 2338453 C1COCCN1C=NC2=NC(=CS2)C3=CC=C(C=C3)Br 1 2.718 3 1 7.25658397848829 2338394 CC1=CC(=NC(=N1)NN=CC2=C(/C(=C/C3=CC=CC=C3)/CC2)N4CCOCC4)C 1 2.927 5 1 -5.00115914780947 2338351 COC1=C(C=C(C=C1)/C=C(/C#N)\C(=O)NC2=CN=CC=C2)OC 1 1.738 3 3 0 -16.0333131750031 2338322 CCC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC2=C(C=CC(=C2)C)C)CC 1 2.204 3 5 0 -12.074023734429 2338293 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 3.283 2 4 -13.281334114148 2338286 C1CN(CCN1C(=O)COC(=O)CC2=C(C=C(C=C2)Cl)Cl)C(=O)C3=CC=CO3 1 2.591 2 5 0 -7.0773925288813 2338283 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC5=C(C=C4)OCO5 1 4.206 2 6 0 -12.4783190442228 2338278 CSC1=C(C=CC=N1)C(=O)OCC(=O)NCC2=CC=CC=C2 1 2.258 2 3 -19.3300874975571 2338273 CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCCCC2 1 3.978 1 3 -6.72463650123105 2338246 C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)COC2=CC=C(C=C2)Cl 1 3.006 2 4 -11.1330300298603 2338238 COC1=CC(=C(C=C1C(=O)OCC(=O)NC2CCCC2)OC)OC 1 2.098 1 6 0 -15.900886115014 2338236 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=CC=CC=C2C#N 1 2.642 2 6 0 -16.0866843966599 2338227 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 2.298 3 4 0 -14.3106379837728 2338219 CC1=NC=C(N=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2 1 1.019 3 3 0 -18.2112934229727 2338215 CC1=CC=CC=C1NC(=O)COC(=O)CC2=CSC=C2 1 2.504 1 3 -13.2031282623888 2338213 C1CCC(C1)NC(=O)COC(=O)COC2=CC=C(C=C2)Cl 1 2.647 1 4 -9.66557881672523 2338196 CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=COCCO2 1 1.429 1 5 0 -10.0727739137249 2338192 COC1=C(C(=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)OC)OC 1 3.879 1 6 0 -9.78370061168486 2338176 COC1=CC=CC=C1CNC(=O)COC(=O)CC2=CSC=C2 1 2.009 1 4 -17.038939660882 2338165 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(C)C 1 3.236 2 4 -12.8005603924621 2338163 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=CC(=C2C)C)F 1 3.314 2 5 0 -18.0608015681975 2338161 C1=CC=C(C=C1)NC(=O)COC(=O)CC2=CSC=C2 1 2.018 1 3 -10.7950896247699 2338160 C1CCC(C1)CCC(=O)OCC(=O)NC2=CC=C(C=C2)F 1 3.234 1 3 -9.91229654727104 2338127 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 1.81 2 6 0 -16.0405896543756 2338125 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CO2)C 1 2.689 1 4 -7.35853196443627 2338124 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 0.783 3 7 0 -23.5731161292407 2338121 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)F 1 1.832 1 5 0 -12.6853428785068 2338120 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.116 1 5 -15.1640822930773 2338119 CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CN=C(C=N2)C)Br 1 1.966 3 3 0 -13.5846918129061 2338114 C1CCC(C1)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 1.935 1 5 0 -12.8934310072197 2338108 C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)CC3=CC(=CC=C3)C(F)(F)F 1 4.207 1 3 -6.23832747763505 2338102 CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CC2=CSC=C2 1 3.903 1 3 -12.1765954722384 2338095 COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=CS2 1 2.586 1 4 -13.9388429806644 2338093 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)F)OC 1 2.699 1 5 -13.1831146749276 2338085 C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.294 2 5 0 -14.5292952173672 2338077 CC(C)(C)C(=O)CSC1=NC=CC(=O)N1 1 1.582 2 2 0 -13.7595579704776 2338070 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2)[N+](=O)[O-] 1 2.199 2 6 0 -14.3165371743337 2338059 COC1=CC=CC(=C1)NC(=O)COC(=O)CC2=CC=C(C=C2)Br 1 3.088 1 4 -8.00985535926821 2338055 C1CCC(CC1)CNC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.722 1 5 -14.4125980262903 2338053 COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NC2CCCC2 1 2.672 1 4 -8.36243946350521 2338052 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC=C2F)F)F 1 2.752 2 5 0 -19.7169030008952 2338047 C1CCC(CC1)CNC(=O)COC(=O)CC2=CSC=C2 1 2.63 1 3 -14.8145022043119 2338042 CC1=NC=C(N=C1)C(=O)OCC(=O)NCC2=CC=CC=C2 1 0.738 3 3 0 -18.3036511509071 2338028 C1=COC(=C1)CNC(=O)COC(=O)C2=C(C=C(C=C2)F)Cl 1 2.38 1 4 -10.8127856264045 2338025 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl 1 2.724 3 3 -11.0853614090839 2338024 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)F 1 4.837 3 5 0 -10.7624603255325 2338015 C1CCC(CC1)CNC(=O)COC(=O)C2=CC=CS2 1 2.887 1 3 -14.420216867026 2338011 COC1=CC=CC=C1CNC(=O)COC(=O)C2=COCCO2 1 0.226 1 6 0 -16.7567377848621 2337993 COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 3.842 1 5 -7.81734751381355 2337986 COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CC2=CC=C(C=C2)Br 1 3.072 1 5 -10.6149049703259 2337975 COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CCC2CCCC2 1 2.996 1 5 -13.2144410496154 2337974 C1=COC(=C1)CNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)Cl 1 2.13 1 5 -15.1169938164343 2337971 CC1=CC=C(S1)C(=O)OCC(=O)NCC2=CC=CC=C2OC 1 2.411 1 4 -15.260255616985 2337962 CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=COCCO2 1 1.636 1 5 0 -7.77809946126525 2337950 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)CC3=CSC=C3 1 3.637 1 3 -15.835557780784 2337948 CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NCC2=CC=CO2 1 3.138 1 4 -16.2967946817429 2337887 C1=CC=C(C=C1)CNC(=O)COC(=O)CC2=CSC=C2 1 2.025 1 3 -15.5327460275831 2337895 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.819 2 5 0 -25.6357697386013 2337897 CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)NCC2=CC=CO2 1 3.624 1 4 -17.2108341356511 2337901 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)COC3=CC=C(C=C3)Cl 1 3.558 1 4 -10.2513355890731 2337903 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCC2)OC 1 2.114 1 5 -16.5360156584287 2337936 C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F 1 2.482 1 4 -10.2859598624762 2337931 C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC=CC=C2C#N 1 2.691 2 3 -12.5985900427407 2337930 COC1=CC=CC=C1C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3 1 3.592 1 4 -7.24597707902008 2337929 COC1=CC=CC(=C1)NC(=O)COC(=O)CC2=CC=C(C=C2)Cl 1 3.004 1 4 -6.55319561416677 2337924 COC1=CC(=CC(=C1)C(=O)OCC(=O)NCC2=CC=CO2)OC 1 1.477 1 6 0 -17.0741755654786 2337921 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=CO2 1 1.891 2 6 0 -16.3882185260748 2337918 C1=CC=C(C=C1)CCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2 1 2.997 2 3 -14.3095236172501 2337910 C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3 1 2.274 2 5 0 -15.4007781291574 2337906 C1=CC=C(C=C1)NC(=O)COC(=O)CC2=CC(=CC=C2)C(F)(F)F 1 3.298 1 3 -5.09226095324747 2337905 C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3C#N 1 1.968 2 5 0 -13.8144630196838 2337866 C1=CC=C2C=C(C=CC2=C1)OC3=C(C=C(C=C3)Cl)N 1 4.216 1 1 9.10399684642048 2337865 CC(=O)OC1=CC=C(C=C1)NC2=CC=CC=C2 1 3.147 1 2 -1.38819245518651 2337860 CP(=O)(NC(=O)NC1=CC=CC=C1)OC2=CC=CC=C2 1 2.154 2 3 0.47881006465576 2337855 CC1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)Cl 1 3.68 2 1 -2.67104873005023 2337854 CC1=CC(=C(C=C1)C)CNC(=O)NC2=CC=CC=C2 1 3.502 2 1 -4.07718511384773 2337850 C1=CC=C(C=C1)CS(=O)(=O)N(C2=CC=CC=C2)O 1 2.337 1 3 -5.72599189666481 2337848 CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)CC(CC3=O)(C)C)C 1 4.335 1 2 -7.63512510847238 2337830 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=[N+](C=C2)[O-])O 1 0.43 3 4 0 -6.59787880325122 2337793 CC1=C(SC(=N1)C)C(=O)NN=CC2=CN(C3=CC=CC=C32)C(=O)C 1 2.257 4 2 -2.75716995884009 2337765 CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 1 3.551 2 4 -9.94667363583202 2337760 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C4=CC=CC=C42)OC(=C3C(=O)NC5=CC=CC=C5)C 1 4.946 2 4 -10.9585813402558 2337752 C1CCC(=NCC1)NOC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.99 3 4 0 -11.192442121412 2337750 C1CCC(=NCC1)NC2=CC=C(C=C2)F 1 2.584 2 0 -3.12279719195711 2337721 CC1=C(N2C(=NC(=N2)C3=CC=CC=C3)N=C1C)C 1 2.912 4 0 -8.70876788623975e-002 2337691 CC(C)(C)C1=CC=C(C=C1)NC(=O)CC2(OCCO2)C(F)(F)F 1 3.208 1 3 -3.47964361235812 2337668 CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC=[N+](C=C2)[O-] 1 2.02 2 2 -5.85414907855405 2337645 C1=CC=C(C(=C1)NC(=O)C2=CC=[N+](C=C2)[O-])Br 1 1.368 2 2 0 -9.82221446579455 2337642 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(/C(=C/C3=CC=C(C=C3)Cl)/CC2)N4CCOCC4 1 4.145 2 5 0 -8.16007158109947 2337637 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(/C(=C\C3=CC=C(C=C3)Br)/CC2)N4CCOCC4 1 4.229 2 5 0 -9.61673132620092 2337630 C1CCCN(CC1)C=NC2=NN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.86 4 0 4.3115228487013 2337629 C1=CC=C(C(=C1)NC(=O)C2=CC=[N+](C=C2)[O-])Cl 1 1.284 2 2 0 -8.34130916146177 2337620 CN1CCN(CC1)C=NC2=NN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 2.444 5 0 6.76268219894205 2337588 C1C(N=C(C(=O)O1)NNC2=CC=CC=C2Cl)(CO)CO 1 0.523 3 4 0 1.13419277522745 2337567 CC1=NC2=C(S1)C=C(C=C2)NN=C3C(=O)CC(CC3=O)(C)C 1 2.816 3 2 -8.46863844891022 2337558 C1C2=CC=CC=C2C(=NC(=O)C3=CC=CS3)N=C4N1C=C(C=C4)Cl 1 2.729 3 1 -9.00745486196574 2337553 C1C2=CC=CC=C2C(=NC(=O)C3=CC=CS3)N=C4N1C=C(C=C4)Br 1 2.813 3 1 -9.31777661354508 2337552 C1C2=CC=CC=C2C(=NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N=C4N1C=C(C=C4)Br 1 2.648 5 5 0 -9.40476974551875 2337502 CC1=NN(C(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3 1 3.037 5 5 0 -9.73186377849839 2337473 CC1=C(C(=O)N(N1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.819 2 3 0 -9.66530039917089 2337453 CN1C(=C(C(=O)N(C1=O)C)SC2=CC=CC=C2[N+](=O)[O-])N 1 0.897 4 4 0 -10.1143043936058 2337439 C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=NNC(=O)C4=CC=NC=C4)C5=CC=CC=C5 1 3.492 5 3 0 3.24010314627541 2337437 CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.381 3 5 0 -11.9608075466801 2337415 CC1=C(SC(=N1)C)C(=O)NNS(=O)(=O)C2=CC=CC=C2 1 0.864 3 3 0 -11.8579143784594 2337386 COC1=CC=C(C=C1)N(CN2C(=O)C3=CC=CC=C3C2=O)C(=O)COC4=C(C=C(C=C4)Cl)Cl 1 4.631 2 5 0 -5.74055792243908 2337373 CC(C)(C1=CC=CC=C1NC)C2=CC(=NO2)C3=CC(=CC=C3)OC 1 4.747 2 2 2.26436231254883 2337349 C1=C(OC2=C(C1=O)C(=C(C(=C2F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F 1 4.986 0 2 1.63984994034424 2337265 COC1=CC=C(C=C1)C2=C(SC(=N2)NC3=CC=C(C=C3)OC)CCC(=O)O 1 3.645 2 4 -3.03860539124213 2337233 CC1=CSC(=N1)NC2=CC=C(C=C2)C(=O)O 1 1.652 2 2 0 -8.11873004897615e-002 2337217 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C3=NN=CO3 1 2.501 3 1 -0.480315902288894 2337216 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C 1 3.416 2 2 -5.6062512854154 2337199 CC(C)NC1=C(N=C(O1)C2=CC=C(C=C2)OC)C#N 1 2.602 3 2 -2.24807962621129 2337192 CCN1CCN(CC1)C(=O)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=CC=CC(=C5)C(F)(F)F 1 4.009 3 3 -0.690749392653138 2337188 C1CC(=O)N(C1=O)CC(=O)NC2=NC(=CS2)C3=CC=CS3 1 0.947 3 3 0 -8.58164188304224 2337167 C1COCCN1CCCNC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3 1 1.06 3 5 0 -18.4501818448392 2337135 CN(C1=CC=CC=C1C(=O)O)C(=O)/C=C/C2=CC=CO2 1 2.313 1 4 -6.79222993979185 2337120 CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=CC=C2C(=O)NCCCN3CCOCC3)C)C 1 3.359 3 4 0 -13.1475992821599 2337108 CC1=C(C=C(C=C1)C(=O)NN2C=NN=C2)S(=O)(=O)N3CCOCC3 1 -0.476 5 4 0 -21.5440341156851 2337096 CCOC(=O)C1=C(C=C(S1)NC(=O)C2CCC2)C 1 2.932 1 3 -4.43869727716289 2337081 C1=COC(=C1)CNC(=O)COC(=O)CC2=CC=C(C=C2)F 1 1.75 1 4 0 -13.7759091709199 2337074 CC1=CC=CC(=C1)C(=O)OCC(=O)NCC2=CC=CO2 1 1.996 1 4 0 -14.9965416683323 2337072 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(C)(C)C)OC 1 2.115 3 4 0 -13.2540016064925 2337070 C1=CC(=CC(=C1)C(F)(F)F)CC(=O)OCC(=O)NCC2=CC=CO2 1 2.487 1 4 -11.0334165723272 2337068 CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C(=C(C=C2)OC)OC)OC 1 2.012 1 7 0 -12.237239281192 2337061 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC=CC=C2O 1 3.052 1 4 -8.34411757174689 2337051 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NC3=CC(=CC=C3)OC 1 1.596 2 7 0 -25.2661851794118 2337049 CC1=CC=CC=C1OCC(=O)OCC(=O)NC2=CC=CC(=C2)C(=O)C 1 2.383 1 5 -11.4221786985693 2337042 CSC1=C(C=CC=N1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.027 2 5 0 -20.1131323034779 2336996 CC(C)C1=CC=CC=C1NC(=O)COC(=O)CC2=CSC=C2 1 3.212 1 3 -11.5132894558509 2337031 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CC3=CC=C(C=C3)Br 1 2.879 1 5 -14.0809144916892 2337024 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)F)C(=O)NCC3=CC=NC=C3 1 2.369 3 3 -9.82256681182038 2337020 COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=CC=C2Cl)OC)OC 1 2.936 1 6 0 -13.1678882277249 2337012 CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)OC 1 2.028 1 6 0 -16.3230966081859 2337009 C1=CC=C(C(=C1)NC(=O)COC(=O)CC2=CSC=C2)Cl 1 2.683 1 3 -10.6377712149704 2337007 CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 4.444 1 6 0 -15.1041239754529 2336991 CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)OC)OC 1 2.028 1 6 0 -13.4203464566275 2336975 C1CCN(CC1)CC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 2.817 3 1 -0.641239291863731 2336973 CC1=C(SC(=N1)NC2=CC=CC=C2)C3=CC=CC=C3 1 3.832 2 0 4.4181622278492 2336959 C1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CSC3=NC4=CC=CC=C4O3)C5=CC=CC=C5 1 5.829 3 2 -3.28885235751847 2336957 CCCCCCNC1=NC(=C(S1)CCC(=O)O)C2=CC=C(C=C2)OC 1 4.325 2 3 -6.61028664776184 2336926 C1=CC=C(C=C1)C2=CN=C(N2)SCC(=O)N 1 1.464 3 1 0 -2.1532422884489 2336906 CCC1=NN=C(S1)NC(=O)CSC2=NC=C(N2)C3=CC=CC=C3 1 2.648 5 1 -11.8816974787792 2336901 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3CCOCC3 1 2.074 3 2 -2.56532908646062 2336896 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)F 1 2.4 4 4 0 -18.7659578511764 2336887 CCC1=CC=C(C=C1)NC(=O)COC(=O)CCC2CCCC2 1 3.971 1 3 -10.8636117085154 2336883 CC1=CC=CC(=C1C)C(=O)OCC(=O)N(C)C2=CC=CC=C2 1 3.5 1 3 -7.15798355843778 2336875 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)Cl 1 1.396 3 3 0 -11.7225144726302 2336870 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)F 1 1.884 5 2 0 -11.8449900564838 2336859 CC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F 1 1.154 3 4 0 -10.4802485891451 2336857 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)NS(=O)(=O)C4=CC=C(C=C4)F 1 2.537 5 5 0 -11.4846293206294 2336835 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F 1 4.252 3 3 -3.67315916318034 2336833 CCN(CC1=CC=NC=C1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F 1 2.718 3 3 -12.4380272800282 2336819 C1CN(CCN1C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4 1 2.213 3 5 0 -9.00179386324774 2336809 CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)CC2=CSC=C2 1 3.698 1 3 -12.1939108676959 2336799 CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)COC2=CC=C(C=C2)Cl 1 2.561 1 5 -9.57964304100151 2336788 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=CC(=C2)C(=O)C 1 1.782 2 5 0 -15.7523782387596 2336769 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=NC=C3 1 1.951 3 3 0 -6.6576696978519 2336741 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CN=CC=C2)Cl 1 1.943 3 3 0 -13.6481969588328 2336739 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=NOC(=C2)C)Cl 1 2.232 3 4 0 -22.0898172260418 2336726 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC(C)C 1 1.55 4 4 0 -27.7319222436463 2336698 C1CN(C2=CC=CC=C21)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F 1 4.325 2 3 -10.5909734910458 2336689 COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)Cl 1 2.501 4 6 0 -16.4384828403696 2336685 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CCO)C 1 2.122 3 4 0 -5.73594406186579 2336674 C1CCC(C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3F 1 3.133 2 3 -11.2721262722352 2336625 C1=CC(=C(C(=C1)Cl)CN2C=NC3=C2N=CN=C3NCC4=CC=CO4)Cl 1 3.524 5 1 -5.65655670501263 2336624 C1=CC=C(C=C1)C=NOCC(=O)NC2=C(C(=C(C(=C2F)F)F)F)F 1 3.359 2 2 -2.45162851814448 2336561 CC1=NC=C(N=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)OC 1 1.043 3 4 0 -17.2392059947709 2336550 CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3 1 1.615 3 4 0 -18.9726560336161 2336547 CN(C1=CC=C(C=C1)OCC(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.125 2 5 0 -12.3046657464827 2336545 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=COC4=CC=CC=C4C3=O 1 3.333 2 3 7.22343047063518 2336530 C1COCCN1CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=C(C=C4)F 1 3.134 4 1 4.66383597914037 2336527 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)C(=O)OC 1 3.485 2 6 0 -13.673901325533 2336525 CCOC(=O)C1=CC=C(C=C1)NC(=NS(=O)(=O)C2=C(C=C(C=C2)F)F)C3=CC=CC=C3 1 4.641 2 4 -10.8283607547031 2336447 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCCC3 1 3.311 2 3 -14.4011522809008 2336442 CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -7.6e-002 5 4 0 -34.3198547203131 2336432 CC1=C(SC=C1)C(=O)OCC(=O)C2=CC3=CC=CC=C3O2 1 3.975 0 4 -6.52325461346504 2336431 CN1C(=NN=N1)SCC(=O)C2=CC=CS2 1 1.433 4 1 0 -18.1548324992333 2336428 C1=COC(=C1)CSCC(=O)C2=CC=CS2 1 2.769 0 2 -7.45764680299109 2336427 C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC=CO3 1 2.451 4 2 -16.5802912734297 2336424 CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)C2=CC=CO2 1 3.702 0 4 -10.0334225410957 2336421 CN1C=NN=C1SCC(=O)C2=CC=CO2 1 1.134 3 2 0 -13.9378179600742 2336418 CCOC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=CS2 1 2.615 1 4 -15.3693091435587 2336417 CC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=CS2)[N+](=O)[O-] 1 3.275 1 5 -15.6344624813336 2336414 CN1C=NN=C1SCC(=O)C2=CC3=CC=CC=C3O2 1 2.334 3 2 -9.50127739137542 2336405 CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=CS2 1 2.824 1 3 -16.7588443377872 2336404 CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC3=CC=CC=C3O2 1 3.466 1 4 -9.58214738187912 2336381 COC1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.198 2 5 0 -22.5174831384244 2336374 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 2.365 5 5 0 -22.3619266433389 2336363 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)N(CCO)CC3=CC=CC=C3 1 1.56 2 5 0 -19.5740257301471 2336361 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 3.304 5 5 0 -13.7001205232695 2336359 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 0.92 3 6 0 -25.0362491663271 2336332 C1CN(CCN1C(=O)COC(=O)CC2=CC=CC=C2F)C(=O)C3=CC=CO3 1 1.467 2 5 0 -12.3641592307074 2336325 CC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=CC(=C2)C(=O)C 1 2.547 1 4 -12.8190300804628 2336324 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC2=CC=CC=C2C#N 1 2.186 2 6 0 -14.8755982054797 2336323 CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3 1 1.829 1 6 0 -13.7204078657794 2336321 C1CN(CCN1C(=O)CSC2=NN=NN2C3=CC=CC=C3)C(=O)C4=CC=CO4 1 1.342 6 3 0 -22.6467874270876 2336320 CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=C(S2)Br 1 3.393 1 3 -13.8152065546773 2336315 CC1=CC(=C(C=C1)C(=O)OCC(=O)N(C)C2=CC=CC=C2)C 1 3.5 1 3 -5.89905949425341 2336314 CC1=CC=CC=C1C(=O)OCC(=O)N(C)C2=CC=CC=C2 1 3.013 1 3 -10.1901057109942 2336311 CC1=CC(=C(C=C1)C)C(=O)OCC(=O)N(C)C2=CC=CC=C2 1 3.5 1 3 -8.55674420144153 2336309 CC(=O)OC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)OCC(=O)N(C)C3=CC=CC=C3 1 3.813 1 5 -5.21211884810665 2336296 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)CCO 1 1.182 3 4 0 -16.6832537765392 2336261 CCC(=O)C1=CC=CC=C1OCC(=O)NC2=C(C=CC=C2C)C 1 3.829 1 3 -12.0249054637298 2336231 C1=CC=C(C=C1)CCS(=O)(=O)N=CC2=CC=CS2 1 2.636 1 2 -4.72031861720193 2336214 CC1=CC(=C(C=C1)OC2=CC=CC=C2)NC=O 1 2.917 1 2 0.129295258239648 2336213 C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])/C#N 1 2.58 3 4 0 -9.54669670511915 2336188 COC1=CC=C(C=C1)NC(=O)/C(=C\C=C\C2=CC=CO2)/C#N 1 2.768 2 3 -8.77522222935154 2336182 CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2C)OC)C(C)C)/C#N 1 5.071 2 2 -10.0001631604855 2336146 CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=NC4=CC=CC=C4S3 1 4.101 3 5 0 -9.49604254263526 2336136 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC3CCCCC3 1 2.517 2 4 -23.6688919838261 2336107 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4 1 5.413 4 3 0 -7.73906157985057 2336086 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=NC=C3 1 2.822 3 3 -12.6997188303954 2336084 CN(C)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 4.903 4 1 -0.682346250366236 2336074 CN(C1=CC=C(C=C1)OCC(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.666 2 5 0 -13.4147874116043 2336062 CC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)F 1 3.835 2 4 -9.94789048333073 2336056 C1=CC=C(C=C1)CN(CCO)C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 4.414 3 2 0.545466405156778 2336030 CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3 1 2.559 1 6 0 -13.741458852951 2336024 COC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=CC(=CC=C2)Br 1 3.088 1 4 -7.27318316095592 2336022 CC(C)(C)C(=O)CSC1=NN=NN1C 1 1.352 4 1 0 -19.5613324870778 2336020 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)C#N 1 2.406 2 3 -10.6873236210993 2336012 COC(=O)CNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O 1 1.421 1 6 0 -11.2359034145249 2336009 CCCC1=CC(=O)N=C(N1)SCC(=O)C(C)(C)C 1 3.076 2 2 -16.3419615094743 2336000 CN(CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2C(=O)OC 1 2.395 2 3 -11.6575371274025 2335996 CCOC(=O)C1CCN(CC1)CC(=O)NC2=CC(=NN2C3=NC4=CC=CC=C4S3)C 1 2.891 5 3 0 -7.00503280339602 2335983 CC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)C2=CC=CC=C2)C 1 3.5 1 3 -8.77349724014385 2335980 COC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=CO2 1 1.7 1 5 0 -7.19322924214236 2335977 CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 4.344 1 4 -7.55227376848643 2335961 CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=COCCO2 1 -2.5e-002 1 6 0 -12.9271975334977 2335955 COC1=CC(=CC(=C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)OC 1 2.064 1 7 0 -16.7557807323828 2335949 COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 1.974 2 8 0 -19.9392979603176 2335946 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC=C(C=C2)OC 1 3.277 1 4 -10.7520140300536 2335942 CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=CC=C2O 1 3.23 1 4 -5.60249406106642 2335932 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3 1 3.062 1 5 -13.4959542984581 2335925 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC=CO2 1 2.689 1 4 -9.42753845760162 2335924 CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2CC2 1 2.565 1 3 -9.97807260074743 2335922 CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2CCCCC2 1 3.934 1 3 -6.58339399500768 2335921 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 3.188 2 5 0 -14.4560689795578 2335915 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=C(C(=C(C=C2)OC)OC)OC 1 3.245 1 6 0 -11.8858024393516 2335905 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C=CC=C2C)C 1 3.015 2 4 -15.4009413969192 2335898 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4=CC=CO4 1 1.384 4 5 0 -25.1298974246939 2335893 CN(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3 1 3.261 5 1 -9.43166912400992 2335892 CCNC1=C(C=C(C=C1)C(=O)OCC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.67 3 5 0 -23.1604766831123 2335886 CC1=C(C=C(C=C1)C(=O)NCCCN2CCOCC2)S(=O)(=O)N3CCOCC3 1 0.217 3 5 0 -23.2152434026106 2335861 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 3.176 3 4 0 -11.9802694130376 2335858 COC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC)OC 1 4.665 2 6 0 -13.9012934587463 2335850 CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C3=CC=CC=C3 1 2.908 3 3 -10.1177458403594 2335846 COC1=C(C=C(C=C1)CCNCC(=O)NC2=CC=CC=C2C(=O)OC)OC 1 2.147 2 5 0 -14.3023870362531 2335842 COC1=C(C(=CC=C1)OC)C(=O)NC2=NC(=CS2)COC3=CC=CC=C3 1 3.361 2 4 -7.94971560644061 2335835 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 2.597 1 6 0 -7.14090691942135 2335811 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3 1 3.062 1 5 -13.1949068050941 2335790 CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.934 2 5 0 -11.2242359675069 2335787 COC1=CC=C(C=C1)CCNC(=O)COC(=O)CC2=CC=C(C=C2)OC 1 2.651 1 5 -13.3276881908104 2335783 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=C(O4)Br 1 4.78 2 4 5.97982218201371e-002 2335760 C1CN(CCN1C(=O)COC(=O)CC2=C(C=CC=C2Cl)Cl)C(=O)C3=CC=CO3 1 2.591 2 5 0 -11.2971323221044 2335737 C1=CC(=CC(=C1)Br)NC(=O)COC(=O)C2=CC=CO2 1 2.465 1 4 -5.7492948378356 2335731 COC1=CC=C(C=C1)CCNC(=O)COC(=O)CC2=CC=CC=C2 1 2.668 1 4 -13.0346567287621 2335696 COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2=C(C=C(C=C2)OC)OC 1 2.6 1 6 0 -11.6633854341757 2335679 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)CC3=CC=C(C=C3)Br 1 2.954 2 4 -9.11301464476181 2335665 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 3.857 2 4 -13.5450683302468 2335661 CC1=CC=CC=C1OCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.493 2 5 0 -9.84219770023845 2335634 CN1CCC(CC1)N(C)C(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl 1 3.377 2 1 3.99937391661346 2335632 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)F)F 1 3.174 1 6 0 -12.8526473094972 2335631 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=C(C=CC=C2F)F 1 3.174 1 6 0 -13.6129529994656 2335626 CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC)Cl 1 3.914 1 6 0 -11.7177788999762 2335622 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)F)F 1 3.174 1 6 0 -13.3784188602174 2335621 CN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -0.336 6 4 0 -35.5112775955332 2335620 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NC4=CC=CC=C4O3 1 3.867 3 3 -5.53139932502368 2335617 COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C3CCCCC3=NC4=CC=CC=C42)Cl 1 4.676 2 4 -8.40975698910796 2335612 C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=CC5=C(C=C4)OCO5 1 3.796 2 5 0 -10.6025546455886 2335589 CCN1C(=C([C@@H](NC1=O)C2=CC=CS2)C(=O)OC)C 1 1.466 2 3 0 -17.203433558217 2335584 C1C(=O)C(=C(N1C2=CC=CC3=CC=CC=C32)N)C4=CC=CC=C4 1 3.576 2 1 -1.8328741823126 2335578 COC1=CC=CC(=C1)N2CC(=O)C(=C2N)C3=CC=CC=C3 1 2.651 2 2 -4.2357718700547 2335577 COC1=CC=CC(=C1)NC(=O)C2=NC(=NC=C2Cl)SC 1 2.975 3 2 -5.96347079593773 2335574 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.377 3 5 0 -21.0538876094236 2335552 COC1=CC=CC(=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C 1 1.959 3 4 0 -9.35342132161244 2335498 CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)N3CCOCC3)Cl 1 1.825 4 4 0 -10.385537658471 2335490 C1=CC(=C(C=C1Cl)N/C=C(/C(=O)C(F)(F)F)\Br)Cl 1 4.239 1 1 0.366366850901004 2335416 COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 3.275 1 5 -3.91449698391747 2335414 CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O 1 2.441 1 4 -11.2065584564355 2335388 CC1=CC(=NC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 3.166 2 4 -2.51045325329475 2335386 C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)Cl 1 3.955 1 4 -1.67953208418651 2335342 C1=CC=C2C(=C1)C(=NC2=NC3=CC=CC=N3)NC4=CC=CC=N4 1 3.107 5 0 6.19501471639647 2335334 C1=CC=C2C(=C1)N=NN2CC(=O)NC3=NC=C(C=C3)Cl 1 2.33 5 1 -10.4393038095083 2335294 CCOC(=O)C1=NC(=NC=C1N2CCOCC2)S(=O)(=O)C 1 0.58 3 5 0 -10.2436131507581 2335288 CC1=NN(C2=C1C=C(S2)C(=O)N3CCC4=CC=CC=C4C3)C5=CC=CC=C5 1 4.442 3 1 -12.9284939425175 2335273 C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)N4CCC5=CC=CC=C54 1 4.309 2 3 -12.1766886413312 2335271 C1=COC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)Br 1 2.465 1 4 -6.74527820431077 2335265 CC1=C(SC=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.667 2 5 0 -13.8233710039487 2335253 CCOC1=CC=CC=C1NC(=O)COC(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)OC(=O)C 1 3.94 1 6 0 -9.59502061274201 2335251 CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)OC(=O)C 1 5.492 1 5 -7.20563095843826 2335247 C1=CC=C(C=C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)F 1 2.562 1 3 -8.49291431824651 2335243 CC(=O)OC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)OCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4 1 5.168 1 6 0 -6.6492328627287 2335224 C1CC(=O)N(C1)CCCNC(=O)CSC2=CC3=CC=CC=C3C=C2 1 2.056 2 2 -21.3405891851632 2335223 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=C(C(=C(C=C2)F)F)F 1 3.38 1 6 0 -13.7370132445439 2335220 C1CN(C2=CC=CC=C21)C(=O)COC(=O)CC3=CC=CC=C3F 1 2.842 1 3 -14.8958905368002 2335219 CN1C(=NN=N1)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 1.652 6 2 0 -17.8788359068242 2335196 C1CN(C2=CC=CC=C21)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F 1 3.588 2 3 -12.7121662608183 2335187 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4 1 4.728 2 3 -16.6057130489944 2335144 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC(=C(C=C4)F)F 1 3.348 4 6 0 -11.4534123117994 2335135 COC1=CC=C(C=C1)NC(=O)COC(=O)CC2=CC=C(C=C2)Br 1 3.088 1 4 -8.36656075395587 2335118 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)C 1 3.062 1 5 -14.1786062183781 2335113 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=C(C=CC(=C4)Cl)OC 1 2.843 4 5 0 -20.4240759758007 2335111 CC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)S(=O)(=O)N3CCCCC3 1 2.323 2 4 -22.8019828175657 2335100 COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3 1 3.083 4 2 -7.1833489545414 2335092 C1C(=O)C(=C(N1NC(=O)C2=CC=C(C=C2)Cl)N)C3=CC=CC=C3 1 2.092 3 2 -6.35160419643257 2335079 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)NCC4=CC(=CC=C4)Cl)Cl 1 3.531 4 4 0 -20.6285886792028 2335047 CCOC1=CC=CC=C1NC(=O)COC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 4.207 1 4 -9.6494155817471 2335043 COC1=C(C(=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)OC)OC 1 2.279 1 6 0 -14.4254133457609 2335042 C1CN(CCN1C(=O)COC(=O)C2=CC(=CN=C2)Br)C(=O)C3=CC=CO3 1 0.825 3 5 0 -11.7733266962102 2335029 COC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)Br 1 3.088 1 4 -8.36656075395587 2335014 COC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)F 1 2.545 1 4 -8.020022673976 2335004 CC1=CC=C(C=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl 1 4.927 1 3 -3.97354435948903 2334976 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)Cl 1 1.396 3 3 0 -10.7956439065116 2334966 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 2.06 3 3 -12.6171279621538 2334954 CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.433 2 5 0 -7.81792497783608 2334948 C1CN(CCN1C(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)C(=O)C4=CC=CO4 1 3.193 2 5 0 -11.4596842564436 2334933 C1CC1NC(=O)COC(=O)CSC2=C(C3=CC=CC=C3C=C2)Br 1 3.285 1 3 -10.7365062582332 2334911 CCN(CC)CCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=CC=CC=C2OC 1 3.01 3 4 0 -13.6323011201466 2334898 C1=CC(=CC=C1C(=O)NC2=NN(C=C2)CCC#N)Cl 1 2.446 4 1 -8.70438532666222 2334890 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCCC3 1 3.121 2 2 -11.6540175362325 2334885 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCCC4=CC=CC=C43 1 4.767 2 2 -13.5130106133559 2334884 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=NC=CS3 1 3.028 3 2 -13.8280438034068 2334881 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=CC=N4 1 4.45 2 3 -5.55980093177801 2334865 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC(=C(C=C4)F)F 1 3.363 3 4 0 -8.95470446580503 2334847 C1CC1NC(=O)COC(=O)C2=CC=CC=C2F 1 1.44 1 3 0 -11.8797247506319 2334844 CC1=C(C=C(C=C1)C(=O)N2CCCC2)S(=O)(=O)N3CCCCC3 1 2.225 2 3 -17.7072880343357 2334842 CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 3.192 2 4 -16.2704638178805 2334819 CC1=C(C=C(C=C1)C(=O)NC2CCCC2)S(=O)(=O)N3CCCCC3 1 2.96 2 3 -19.8321355994421 2334814 CN(C1=CC=C(C=C1)OCC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.664 3 4 0 -15.304981301529 2334785 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4 1 1.474 3 5 0 -19.8891810548941 2334784 C1CN(C2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4 1 1.905 2 4 0 -24.5984895513091 2334783 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4 1 2.089 3 4 0 -15.3892820360094 2334774 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCN3CCCC3=O 1 0.788 3 4 0 -35.6905324315287 2334766 CC1=C(SC2=C1C(=O)N3C(=N2)C4=CC=CC=C4C(=N3)NCCCN5CCOCC5)C 1 2.27 5 2 0 -4.27022806038076 2334745 CC(=O)N(CN1C(=O)C2=CC=CC=C2C1=O)C3=CC4=C(C=C3)C5=CC=CC=C5O4 1 3.322 2 4 -6.41517970637366 2334716 C1C2=CC=CC=C2C(=NC(=O)C3=CN=CC=C3)N1C4=CC(=C(C=C4)F)F 1 3.543 3 1 -4.47935834650573 2334713 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC3=CC=CO3 1 1.094 2 5 0 -25.6355317832463 2334704 CCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C 1 2.536 4 3 0 -26.4036870550251 2334703 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CN=C(C=C3)OC 1 2.68 3 4 0 -16.6380472994375 2334696 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=CC=C4 1 2.401 4 4 0 -25.463265665364 2334685 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NNN=N3 1 2.343 6 3 0 -14.9212635105929 2334656 CC1=NC(=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 2.979 3 3 -13.6634627518806 2334634 CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 1.793 2 6 0 -15.3076259645898 2334633 CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NCC3=CN=CC=C3 1 2.332 3 5 0 -18.3079415196361 2334629 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=CC(=NN2C3=CC=CC=C3C(F)(F)F)C 1 4.669 4 3 0 -19.2389565380774 2334609 CC1=NN(C(=C1)NC(=O)CN2CCOCC2)C3=NC4=CC=CC=C4S3 1 1.903 5 2 0 -6.31021809967793 2334604 CC1CCN(CC1)CC(=O)NC2=CC(=NN2C3=NC(=CC(=N3)C)C)C 1 2.066 6 1 0 -11.8623529213117 2334596 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)CNC3CCCCC3)C 1 2.22 6 1 0 -8.07950494708521 2334593 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)CNCC3=CC=CC=C3)C 1 1.945 6 1 0 -9.06543395510441 2334589 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)CN3CCC4=CC=CC=C4C3)C 1 2.555 6 1 0 -12.8856424992988 2334577 C1CN(CCN1C(=O)COC(=O)C2=CC=CC=C2CC3=CC=CC=C3)C(=O)C4=CC=CO4 1 3.202 2 5 0 -11.0864209726928 2334569 C1CN(CCN1C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4 1 3.296 2 6 0 -10.8109200855481 2334564 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3 1 1.57 3 6 0 -26.349056620314 2334553 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4 1 0.424 4 7 0 -35.5244246811939 2334547 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3 1 3.05 4 4 0 -10.8029955821627 2334534 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=C5 1 4.99 3 2 -1.65177732089118 2334532 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COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5 1 3.961 5 4 0 -11.544350396635 2330719 C1COCCN1CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)Cl 1 2.743 3 4 0 -12.2200144848734 2330696 CCOC(=O)C(=NNC1=CC=C(C=C1)Cl)C(=O)C2=NN3C4=C(C=CC(=C4)Cl)C(=O)N=C3S2 1 5.367 5 4 0 -2.82863681389179 2330678 CN(C1CCCCC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.68 2 3 -19.7051235277193 2330660 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC3=CC4=C(C=C3S2)OCCO4 1 2.84 3 5 0 -19.0487520893518 2330642 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3Cl 1 2.765 3 2 -19.3142118768629 2330618 CC(C)(C1=CC=CC=C1NC)C2=CC(=NN2)C3=CC=CO3 1 4.148 3 1 0.977721836742331 2330578 CC1=CC(=NO1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.129 3 4 0 -18.8495398961519 2330573 CC1=CC(=O)C2=C(C(=COC2=C1)C3=CSC(=N3)C)NN 1 0.152 3 2 0 -1.33785576956069 2330560 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)C3=C(N=CC=C3)Cl)C)C 1 3.952 2 1 7.75842234441424 2330529 CC1=CC(=NN1)C(C)(C)C2=CC=CC=C2NC 1 3.089 3 0 -4.83283031609497 2330527 CC\1(C2=CC=CC=C2N(/C1=C/C(=O)C3CC3)C)C 1 3.313 1 1 3.58342660798769 2330456 C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3)Cl 1 3.763 4 1 -4.94838405481045 2330460 CC1=NN(C2=C1C=C(S2)C(=O)NC3=NN=C(S3)C4CC4)C5=CC=CC=C5Cl 1 4.311 5 1 -13.5612079732697 2330514 CCC1=C(C(=CC(=C1)SC#N)C)N 1 2.986 2 0 1.9593850024086 2330506 CCN(C1=CC=CC=C1)C(=S)NCC2=CC=CC=C2 1 4.798 2 0 -9.34840017203783 2330478 C1CC1C(=O)NN=CC2=CC=C(C=C2)N3CCOCC3 1 1.626 3 2 0 -7.37042276269537 2330445 C1CN(CCC1C(=O)NC2=CC=NC=C2)S(=O)(=O)C3=CC=CS3 1 0.839 3 3 0 -10.1956879167211 2330442 C1CN(CCC1C(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC=CS3 1 0.839 3 3 0 -10.4725359380514 2330439 CC1=CC=C(C=C1)NC2=NC(C=C(S2)C)(C)C 1 3.748 2 0 -0.609998302272977 2330437 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.989 4 4 0 -24.2105964667685 2330435 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3F)F)F)F 1 3.271 3 4 0 -8.74822873020194 2330428 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=C(C=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 2.023 4 6 0 -13.0968782179842 2330426 COC1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 4.337 3 2 -7.82107506767414 2330417 CC1=C(N2C=CC=CC2=C1)C(=O)C3=NC(=NC=C3Cl)N(CCOC)CCOC 1 2.96 4 3 0 -6.30135927781995 2330392 C1CCCC2=C(CC1)C(=C3C4=C(CCCC4)SC3=N2)N 1 4.809 2 0 -5.27130157464029 2330364 CC(=O)N=C1N(C=CS1)CC(=O)C2=CC=C(C=C2)OC 1 1.286 2 3 0 -11.4839136993382 2330350 CC1=C(N2C=CC=CC2=C1)C(=O)C3=NC(=NC=C3Cl)NCC4=CC=CC=C4 1 4.599 4 1 -7.33988777384811 2330337 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NCC4=CC=CC=N4 1 2.506 4 1 3.91889371296858 2330332 CN\1C(=CS/C1=C(\C#N)/C2=NN=C3N2C4=CC=CC=C4SC3)C5=CC=C(C=C5)F 1 4.117 5 0 -4.2245285295585 2330329 C1=CC=C(C(=C1)C(=O)ONC(=O)C2=CC=C(C=C2)OC(F)F)F 1 3.343 1 4 -1.97186711149802 2330324 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=N4)C 1 4.641 3 1 -1.39074905896323 2330317 CC1=CN(C(=O)NC1=O)COC/C=C/C2=CC=CC=C2 1 1.543 2 3 0 -6.06460699113548 2330315 C1CCC2=NN=C(N2CC1)CC3=NC4=CC=CC=C4S3 1 3.278 4 0 -6.6423996913998 2330261 C1=CC=C2C(=C1)C=CC=C2C3=NN4C(=NN=N4)C5=CC=CC=C53 1 2.917 5 0 -3.87158159563834 2330235 C1=CC=C(C(=C1)NC(=O)/C=C/C(=O)O)SC(C(C(F)(F)F)(F)F)(F)F 1 4.218 1 3 -6.83256991487017 2330225 C/[N+](=C\C1=CC=C(O1)[N+](=O)[O-])/[O-] 1 0.334 2 4 0 0.906284728211111 2330223 CC1=CC=C(C=C1)NC(=O)C2=C(S(=O)(=O)CCS2(=O)=O)C3=CC=CC=C3 1 1.847 1 5 0 -2.53191225162986 2330217 C1CCC(CC1)C(=O)NC2=NC3=CC4=C(C=C3S2)OCCO4 1 3.488 2 3 -1.75529774424148 2330209 CCOCCCNC(=O)COC1=CC=C(C=C1)OC 1 1.137 1 4 0 -14.154836471379 2330197 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(S3)Cl 1 4.138 2 1 3.76048060489848 2330180 C1=CC(=CC=C1C=NNC(=S)N)N2C(=CN=N2)C3=CC=C(C=C3)Cl 1 4.033 6 0 -2.35709181383962 2330163 COC1=C(C=C(C=C1)/C=C/C(=O)NCC2=NC3=CC=CC=C3N2)OC 1 2.765 3 3 -9.57914108829558 2330151 CC1=C(N2C=CC=CC2=C1)C(=O)C3=NC(=NC=C3Cl)NCC4=CC=CO4 1 3.781 4 2 -7.72545409976874 2330148 COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 3.403 3 6 0 -15.4880911345416 2330145 CC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.73 2 4 0 -13.4930801011775 2330143 COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCCCC4 1 4.701 2 4 -10.8493617357809 2330121 CCOC(=O)C(=NNC1=CC=C(C=C1)C(=O)C)C(=O)C2=NN3C4=CC=CC=C4C(=O)N=C3S2 1 3.778 5 5 0 -9.03249759399185 2330107 C1CC(=O)C(=NNC2=CC(=C(C=C2)Cl)Cl)C(=O)C1 1 3.342 2 2 -4.36361531693263 2330102 CN(C1CCCCC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.477 2 3 -15.9551740538511 2330064 CC1=C(SC(=N1)NC(=O)CCOC2=CC=CC=C2)C(=O)C 1 2.009 2 3 -10.0721624797422 2330048 CCN(CC)C1=CC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)N3CCOCC3 1 3.393 4 2 -10.7625576471214 2330038 C1=CC=C(C(=C1)C=NNC(=O)CNC2=CC=CC(=C2)C(F)(F)F)C(=O)O 1 2.915 3 3 -4.3143336215061 2330025 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.309 3 5 0 -24.3876502517927 2330017 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N)OC 1 2.109 2 3 -10.9904875967552 2329978 COC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.973 2 4 0 -12.7695817010256 2329977 C1=CC=C(C=C1)/C=C(/C=NNC(=O)C2=CC=CC=C2F)\Cl 1 3.617 2 1 -6.87373855317846 2329950 CC1=CC(=NO1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 3.164 4 2 -13.7615347319341 2329891 C1COCCN1CCCNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl 1 2.949 2 2 -3.83720328116659 2329875 COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CO4 1 3.887 2 5 0 -15.4784320969243 2329869 CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)C)C)C 1 4.607 2 2 -0.726607744143267 2329857 C1COCCN1NC(=O)C2=CC=CO2 1 -0.165 2 3 0 -6.97251215095258 2329832 C1=C(OC(=C1Br)Br)C=NN2C=NN=C2 1 1.756 4 1 0 0.818720010690524 2329769 C1=CC=C2C(=C1)NC(=N2)CNC(=O)COC3=CC=CC=C3F 1 2.371 3 2 -8.69213179003973 2329757 C1=CSC(=C1)/C=C/C(=O)NC2=NN=CS2 1 1.509 3 1 0 -9.4181040324269 2329736 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 4.785 5 2 0 -4.49074355271148 2329728 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)NC4=CC=NC=C4 1 2.875 4 1 -5.02130727569756 2329725 CC1=CC(=C(C=C1)CN2CCN(CC2)N=CC3=CN=CC=C3)C 1 2.926 4 0 4.39021486885064 2329708 COC1=C(C=C(C=C1)/C=C/C(=O)NC2CCN(CC2)CC3=CC=CC=C3)OC 1 3.167 2 3 -7.35615417338755 2329643 COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=NC=C4 1 3.548 3 4 0 -10.234985447042 2329637 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O 1 3.166 1 4 -12.7914417023378 2329631 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)O 1 1.742 1 4 0 -9.20184424533441 2329625 C1=CC=C2C(=C1)C(=NC2=NCC3=CC=CO3)NCC4=CC=CO4 1 2.708 3 2 -2.24424418057686 2329607 C1CCCN(CC1)C(=S)NC2=CC=CC=C2Cl 1 5.086 2 0 -9.05856675175184 2329604 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC3=CC=CC=C3Cl)C 1 4.269 5 1 -5.94528577307214 2329599 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=CO3)Cl 1 3.23 3 4 0 -9.32090226045059 2329577 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCCC3 1 3.088 2 4 -12.5107187319026 2329566 CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C 1 1.042 4 6 0 -15.5727746752177 2329510 COC1=CC=CC=C1NC(=S)NCC2CCCCC2 1 4.684 2 1 -9.93838301862779 2329474 CC(=O)N(C1=CC=C(C=C1)OC)N=C2C(=O)C3=CC=CC=C3S2 1 3.071 2 3 -2.58251741084184 2329444 CC(C)(C)C(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCO3 1 3.208 2 3 -5.89636879093887 2329433 CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CS2 1 3.24 1 3 -10.3725585570193 2329392 C1=CC(=CC=C1CNC(=S)NC2=C(C=C(C=C2)Cl)Cl)Cl 1 6.088 2 0 -4.23833761325697 2329389 C1=CC=C(C=C1)/C=C(/C=NNC(=O)C2=CC=CC=C2F)\Br 1 3.701 2 1 -9.37461642770723 2329369 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC(=C(C=C3)F)F 1 3.128 3 3 -18.9163814093938 2329364 CCNC1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)O 1 2.376 1 3 -3.73642149772345 2329362 C1=CC=C(C=C1)CNC(=S)NCC(=O)O 1 1.722 2 2 0 -11.4763741254519 2329331 CN(C)C1=CC=CC(=C1)C(=O)OCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.508 3 6 0 -31.1851891384524 2329324 COC1=CC=C(C=C1)C(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC 1 4.216 1 4 -6.6710192899996 2329312 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3F 1 2.233 2 4 -18.6047057035264 2329304 CC1=NC2=CC=CC=C2C(=C1)NC(=S)NC(=O)C3=CC=CO3 1 3.63 3 2 -5.80381405102617 2329288 COC1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.504 2 4 -21.0353063365437 2329285 C1CC1NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl 1 3.55 1 1 -0.882345504969702 2329280 C1CN(CCC1C(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 2.318 2 3 -18.2000703974122 2329268 CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.476 2 3 -7.98814624357651 2329267 CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.73 2 4 0 -12.4467557200268 2329257 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=NC=C3 1 1.042 3 3 0 -18.8788899887236 2329236 COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OC 1 2.488 2 5 0 -25.1732589691344 2329235 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.498 3 4 0 -19.9915426648026 2329208 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 2.502 1 4 -12.9419363510157 2329166 CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)Cl)CC3=CC4=C(C=C3)OCO4 1 4.171 2 3 -6.52424328351213 2329165 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4 1 3.507 2 3 -9.1418895416083 2329160 CC1=C(SC(=N1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)CC3=CC4=C(C=C3)OCO4 1 3.458 2 6 0 -12.3788548108644 2329148 CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)OC 1 2.417 1 5 -6.48932055838574 2329138 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NCCC3=CNC4=CC=CC=C43 1 2.12 3 3 -14.3703773753896 2329132 CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)O 1 1.65 0 4 0 -8.91514740626562 2329120 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl 1 1.704 3 5 0 -16.5777675921737 2329116 COC1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.96 2 4 -21.3897748507118 2329114 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCO 1 0.532 2 4 0 -21.7476488897868 2329112 C1COCCN1C(=O)C2=CC=C(C=C2)N3CN(C4=NC5=CC=CC=C5N=C43)C(=O)C6=CC=CO6 1 2.779 5 4 0 -9.79545187938961 2329102 CCOC(=O)C(=O)C1=C(/C(=C\C2=CC=C(C=C2)F)/CC1)N3CCOCC3 1 3.031 1 4 -3.53141721395113 2329100 CC1=NN(C2=C1C=C(S2)C(=O)O)C3=CC=C(C=C3)F 1 3.205 2 2 -3.87505768785357 2329095 CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 3.482 1 4 -13.8223221415994 2329092 CC1=NN(C(=C1C=O)OC2=CC=CC=C2)C3=CC=CC=C3 1 3.783 2 2 2.3880401053998 2329081 C1CCC(=NCC1)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 3.985 2 0 -0.11577142805159 2329080 C1CCC(=NCC1)NC2=C(C(=C(C(=C2F)F)F)F)F 1 3.406 2 0 -4.04710462320783 2329079 C1=CC=C(C=C1)NC(=S)NCCCCCC(=O)C[N+](=O)[O-] 1 3.553 3 3 -13.7468404796574 2329071 C1=CN=C(N=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F 1 2.241 4 1 -8.56628872931367 2329070 COC1=CC=CC=C1NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3 1 2.872 2 4 -12.5782968366576 2329061 CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.476 2 3 -9.77839757038086 2329050 CC1=C(N2C=CC=CC2=C1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.649 2 4 -21.1544486677639 2329046 COC1=C(C=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CO2 1 3.809 2 3 -7.20192015255366 2329041 CN(C1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.196 2 3 -13.0315538706736 2329010 COC1=CC=CC=C1C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 2.702 3 4 0 -11.5916190161377 2328984 CN1C(=C(C(=O)N(C1=O)C)SC2=CC=C(C=C2)[N+](=O)[O-])N 1 0.897 4 4 0 -7.19316625088176 2328899 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=NC(=CS3)C4=CC=CS4 1 4.918 4 4 0 -9.28130632260029 2328888 C1=CSC(=C1)C2=CSC(=N2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)F)/C#N 1 5.229 3 2 -6.1311980972641 2328885 C1=CC=C(C(=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=NC(=CS3)C4=CC=CS4)[N+](=O)[O-] 1 4.918 4 4 0 -10.2878181084822 2328884 C1=CSC(=C1)C2=CSC(=N2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])/C#N 1 4.918 4 4 0 -8.93747291008658 2328852 CCCCN(C)C1=NC2=CC=CC3=C2C1=CC=C3 1 3.488 2 0 0.513569580078463 2328851 C1CCCN(CC1)C2=NC3=CC=CC4=C3C2=CC=C4 1 3.532 2 0 1.76259102373068 2328850 C1CN(CCC1CC2=CC=CC=C2)C3=NC4=CC=CC5=C4C3=CC=C5 1 4.816 2 0 6.94799745531638 2328849 CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC4=C3C2=CC=C4 1 2.368 3 2 -0.609401238403972 2328848 C1CN(CCN1C2=CC=C(C=C2)F)C3=NC4=CC=CC5=C4C3=CC=C5 1 3.994 3 0 5.88540912621329 2328847 CC1=CC(=NN1CCC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC)C 1 3.302 3 2 -5.14685396765768 2328832 COC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC=CC5=C4C3=CC=C5 1 3.772 3 1 2.88217375060507 2328814 CN(C)N=C/C=C/1\CCC/C(=C\C2=CC=C(C=C2)OC)/C1=O 1 3.229 2 2 2.68278994035198 2328806 COC(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 1 3.126 2 2 2.03599863277809 2328792 COC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.87 2 5 0 -20.3575350353383 2328773 C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 2.283 4 4 0 -20.5880994012041 2328745 C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 1.878 4 3 0 -15.4813502471919 2328744 CC(C)(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 1.686 4 3 0 -18.2366803933994 2328743 C1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.613 4 3 0 -15.0031798406275 2328727 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCOC(=O)C2=C(C=C(C=C2)F)F 1 2.767 2 5 0 -17.190467961272 2328724 CCC(=O)NC1=C(SC(=S)N1CC=C)C(=O)OCC 1 2.945 2 3 -13.5063006931675 2328711 CCOC(=O)C1=CC=CC=C1CC2=NC(=O)C3=CC=CC=C3N2 1 2.732 2 3 -9.59218495603271 2328709 C1=CC=C(C(=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C(=O)O 1 2.822 2 3 -4.12324885469979 2328705 CC1=NN(C(=C1C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)N5CCCC5)C6=CC=CC=C6 1 4.922 7 1 0 -6.9296629563979 2328703 CC1=NN(C(=C1C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)N5CCCC5)C6=CC=CC=C6 1 6.026 6 1 0 -7.46806904976278 2328702 CC1=NN(C(=C1C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)N5CCCC5)C6=CC=CC=C6 1 5.351 7 1 0 -4.88019306682354 2328698 CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC(=CC(=N2)C)C)C 1 3.156 3 3 -12.3324240634791 2328695 CCOC1=CC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F 1 4.837 2 4 -7.44359878513147 2328694 C1=CC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F 1 4.504 2 3 -6.61085615655344 2328662 CCOC(=O)CC1=CSC(=N1)N2C(=O)C3=CC=CC=C3S2 1 2.822 2 3 -7.07018049195139 2328646 C1CC(=NC1)NS(=O)(=O)C2=CC=CS2 1 0.827 2 2 0 -7.95844180728479 2328636 CC1=NN(C(=C1/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3)N4CCCC4)C5=CC=CC=C5 1 4.569 4 2 -6.35427418005045 2328634 CC1=NN(C(=C1/C=C\2/C(=O)OC(=N2)C3=CC=C(C=C3)OC(C)C)N4CCCC4)C5=CC=CC=C5 1 5.279 4 3 0 -7.2008845908298 2328630 CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC=CC(=N2)C)C 1 2.873 3 3 -13.244235688993 2328625 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC3=CC=CC=C3OC)C 1 3.588 5 2 0 -9.47766479205357 2328624 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)F)C 1 3.81 5 1 -6.23851285850214 2328622 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)NC3=CC(=C(C=C3)Cl)Cl)C 1 3.439 5 2 0 -4.5322269557 2328619 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)OC)C 1 3.588 5 2 0 -7.36335609311153 2328618 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)NC3=CC(=CC=C3)Cl)C 1 2.775 5 2 0 -3.40344639220798 2328617 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)C)C 1 4.091 5 1 -7.1386864783012 2328601 C1=CC=C(C(=C1)NC2=NC3=CC=CC4=C3C2=CC=C4)F 1 3.735 2 0 5.19600752834041 2328600 C1=CC=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 2.958 4 1 -17.1984052130601 2328579 CC1=NN(C(=C1/C=C\2/C(=O)OC(=N2)C3=CC=CC4=CC=CC=C43)N5CCCC5)C6=CC=CC=C6 1 5.478 4 2 -3.7913283301451 2328568 CC(=O)N1CCN(CC1)C2=NC3=CC=CC4=C3C2=CC=C4 1 1.376 3 1 0 -1.42106311337176 2328549 COC1=C(C=C(C=C1)/C=C\2/C(=O)N3CCCCCC3=N2)OC 1 2.342 2 3 -13.0918166144467 2328548 COC1=C(C=C(C=C1)/C=C/2\C(=O)N3CCCCCC3=N2)OC 1 2.342 2 3 -13.0918166144467 2328477 CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=NN(C)C)C 1 3.063 3 1 -1.69208774265724 2328475 C1=CC=C(C=C1)/C=C/C=NNC2=NC3=CC=CC=C3N2 1 3.228 4 0 9.09637560096012 2328467 CC1=CC=CC=C1NC(=O)C2=CC=[N+](C=C2)[O-] 1 1.106 2 2 0 -10.9066662088802 2328437 C1=CC(=CC=C1C(=O)CP(=O)(CO)CO)Cl 1 1.053 0 4 0 0.695977249120545 2328413 CCCCCN(C(=O)NC(=O)NC1=CC=CC=C1C)S(=O)(=O)C 1 2.778 3 4 0 -0.316368759377119 2328352 C1=CC=C(C=C1)C2=C(C=NN2)C3=NC4=CC=CC=C4N3 1 3.524 4 0 2.77985577402583 2328338 CCCCCN(C(=O)NC(=O)NC1=CC=CC=C1OC)S(=O)(=O)C 1 2.275 3 5 0 -1.28339073094012 2328314 C1=CC=C(C=C1)N2C(=NN=N2)SCCCSC3=NC4=CC=CC=C4S3 1 4.678 5 0 -13.8659814814537 2328301 C1=CC(=CC=C1P(=S)(C2=CC=C(C=C2)Br)NN3C=NN=C3)Br 1 3.932 4 0 -2.4179250817518 2328293 CC1=C(C(=NN1C)C)P(=S)(C2=C(N(N=C2C)C)C)N(C)C 1 1.602 5 0 0 0.912465611784585 2328289 CC1=CC=C(C=C1)N(C2=NCCCCC2)C(=O)NC3CCCCC3 1 4.709 3 1 -6.07202774534491 2328268 C1CCC(CC1)NC(=O)N(C2=NCCCCC2)C3=CC=C(C=C3)Br 1 4.971 3 1 -5.70668879985953 2328250 CC1=C(C(=NN1C2=CC=CC=C2)C)P(=O)(C3=CC=CC=C3)N(C)C 1 3.202 3 1 -2.06959954141887 2328243 CC(C)(C1=CC=CC=C1NC)C2=CN(N=N2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.153 5 2 0 -3.06523060618622 2328212 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@@H](C)C2=NC3=CC=CC=C3N2 1 2.629 4 3 0 -18.4547352235818 2328158 CC1=CC=C(C=C1)C2=N/C(=C\C3=C(N(N=C3C)C4=CC=CC=C4)N5CCCC5)/C(=O)O2 1 5.056 4 2 -5.77502289602081 2328136 CN1C=CC=C1CC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F 1 2.504 4 2 -11.7921903347261 2328124 CC1=CC(=C(C(=O)O1)SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=CO3 1 3.085 1 7 0 -8.87753695014395 2328009 CC1=CC(=C(N1C2=CC=CC=C2)C)C3=CSC(=N3)N 1 3.194 3 0 3.48763431891835 2327991 COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC4=CC=CC=C4O3)OC 1 4.8 3 4 0 -2.10173681122694 2327977 CC1=CC(=NN1CCC2=NC(=CS2)C3=CC=C(C=C3)F)C 1 3.54 3 0 -0.745862270635696 2327975 CC1=CC(=NN1CCC2=NC(=CS2)C3=CC=C(C=C3)OC)C 1 3.319 3 1 -1.87070550524509 2327955 COC1=CC(=CC(=C1OC)OC)C(=O)ONC(=O)C2=CC=C(C=C2)OC(F)F 1 3.088 1 7 0 -4.76143228148598 2327951 CC1=NN(C(=C1/C=C\2/C(=O)OC(=N2)C3=CC=C(C=C3)F)N4CCCC4)C5=CC=CC=C5 1 4.775 4 2 -4.87484927622175 2327942 C1=CC=C2C(=C1)C(=O)N(S2)C3=NC=CS3 1 2.155 2 1 0.100665845937248 2327938 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N4C(=O)C5=CC=CC=C5S4 1 2.585 3 4 0 -13.8907681565504 2327922 CN1C=CC=C1CC(=O)NNC(=S)NC2=CC=C(C=C2)F 1 3.105 4 1 -9.82712926654622 2327921 CN1C=CC=C1CC(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br 1 3.047 4 2 -11.5952792501145 2327907 C1CCC(=NCC1)NC2=NN=CS2 1 0.852 4 0 0 -7.62417395860211 2327886 C1CCC(=NCC1)NC2=NC(=CS2)C3=CC=C(C=C3)C#N 1 3.201 4 0 -0.449615496211941 2327876 CN(C)N=C/C=C/1\CC/C(=C\C2=CC=C(C=C2)Br)/C1=O 1 3.537 2 1 3.92773653580549 2327853 CN1C=CC=C1CC(=O)NNC(=S)NC2=CC=CC=C2Cl 1 3.564 4 1 -9.63129640764099 2327841 CN1C=CC=C1CC(=O)NNC(=S)NC2=CC=C(C=C2)Cl 1 3.564 4 1 -8.71700760142465 2327834 C1CN(CC2=C1SC(=N2)NC(=O)/C(=C/C3=CC=C(C=C3)Cl)/C#N)CC4=CC=CC=C4 1 4.535 4 1 -11.1979862622584 2327799 COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC3=C(S2)CCN(C3)CC4=CC=CC=C4)OC 1 3.837 4 3 0 -17.3220935514821 2327797 C1CN(CC2=C1SC(=N2)NC(=O)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/C#N)CC4=CC=CC=C4 1 5.199 4 1 -10.6298146012938 2327787 CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC3=C(S2)CCN(C3)CC4=CC=CC=C4 1 4.032 5 1 -15.6812713314579 2327757 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.452 3 3 -7.78977600374729 2327752 C1CN(CC2=CC=CC=C21)C3=NC4=CC=CC5=C4C3=CC=C5 1 3.817 2 0 0.533897536341686 2327706 CC\1(C2=CC=CC=C2N(/C1=C\C(=S)NC3=CC=CC=C3)C)C 1 4.981 2 0 6.2847670959244 2327631 CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)OC)OC 1 2.211 2 5 0 -14.0754949985854 2327519 C\1CC(=C(/C1=C/C2=CN=CC=C2)N3CCOCC3)C(=O)NC4=CC=CC=C4 1 2.379 3 2 -6.26584632588986 2327503 CN(C)C1=CC=C(C=C1)/C=C/2\CCC(=C3CCCC3)C2=O 1 4.798 1 1 -3.5967076190428 2327486 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)NC3=CC(=CC=C3)Cl)C)C 1 4.274 2 1 7.84394432038771 2327457 CC1=CC(=NC=C1)NC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 2.219 3 4 0 -7.24377735683229 2327414 CN(C1CCCCC1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 2.555 2 3 -10.6788065956564 2327393 CCN(CC)C1=CC=C(C=C1)/C=C/2\CCC(=C3CCCC3)C2=O 1 5.496 1 1 -5.89009348030139 2327323 C1=C(C=C(C(=C1Cl)NNC(=O)NCCCl)Cl)Cl 1 3.627 3 1 -4.70119369417763 2327322 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)NCCCl 1 1.339 4 5 0 -13.5103231591037 2327319 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)C(=O)NN=CC3=CC=CS3 1 3.788 3 3 -7.87275472415068 2327318 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=CS3 1 3.108 3 4 0 -10.1077196238816 2327316 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=CC=C3Br 1 2.236 3 4 0 -20.282530036723 2327299 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)O 1 2.239 3 5 0 -15.3613902802665 2327290 CC1=CC=C(O1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.028 3 5 0 -21.7480746043391 2327280 CC(C)NC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 0.404 2 5 0 -27.8095554303843 2327258 C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3C(=O)O 1 3.794 2 3 -4.9279044559342 2327256 COC1=CC=C(C=C1)OP(=O)(C)NC2=CC(=CC=C2)F 1 2.563 1 3 6.59502748186663 2327241 CN(C)N=CC1=CC=C(O1)SC2=CC=CC=C2[N+](=O)[O-] 1 3.096 3 3 -3.51278190290735 2327228 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CS4 1 3.09 3 3 -15.9601639484391 2327185 CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=C(C=CC(=C3)Br)F 1 4.544 3 0 7.53587300691727 2327147 CN1C=CC=C1C2=NNC(=C2)C(=O)NN=C/C=C/C3=CC=CC=C3 1 3.316 5 1 -3.77321294522808 2327119 CN(C)C1=C2C(=C(C=C1)C#N)C=CC=C2N(C)C 1 2.941 3 0 -4.73143014772616 2327118 C1CC2=CC=CC=C2N(C1)CC(=O)NN 1 0.885 3 1 0 -11.7166822888637 2327087 COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC 1 1.714 2 6 0 -27.4859102047522 2327067 COCCN(CCOC)C(=S)NC1=CC=CC=C1 1 2.786 2 2 -9.43784861597275 2327066 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=S)NC3=CC=CC=C3 1 2.079 4 4 0 -23.2181229227254 2327062 COCCN(CCOC)C(=S)NC1=CC=CC=C1Cl 1 3.45 2 2 -8.41065789218071 2327041 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=CC=C3C(=O)O 1 2.347 3 5 0 -20.5624127256341 2327035 CCOC1=CC=CC=C1C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.82 3 5 0 -21.8500427164845 2327033 COC1=C(C=C(C=C1)Br)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 2.22 3 5 0 -19.1615784517493 2327029 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-] 1 0.902 4 7 0 -21.0985052995774 2327025 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN=CC2=CC=CC=C2OCC 1 2.83 3 4 0 -17.9134493357351 2327023 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-] 1 2.568 4 7 0 -12.0293255581544 2327019 COC1=CC(=C(C=C1C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC)OC 1 1.438 3 7 0 -25.3308846595351 2326991 CCOC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 4.358 3 2 -9.12623902224956 2326989 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)NC4=NC=CC=N4 1 3.695 4 1 -5.68411624043603 2326988 COC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC 1 4.682 2 5 0 -12.8929049949113 2326969 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)C3=CN=CC=C3)C)C 1 3.078 2 1 5.9798676128541 2326936 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NP(=O)(C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65 1 4.828 3 2 -8.89315506012928 2326934 CCN(CC)C1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)CNC(=O)C 1 2.373 4 3 0 -11.8313418457726 2326931 CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)Br 1 2.262 3 3 -6.51133066041593 2326909 C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.647 4 2 -5.94012190157279 2326905 CC(C)(C1=CC=CC=C1NC)C2=CC(=NO2)C3=CC=C(C=C3)F 1 4.969 2 1 1.34674335949566 2326902 CC1=CC(=O)N=C(N1)NN=CC2=CC=C(C=C2)OC(=O)C3=CN=CC=C3 1 1.689 5 3 0 -19.4489474833274 2326898 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NP(=O)(C(C)(C)C)C(C)(C)C 1 1.72 3 2 0 -10.6628287757824 2326875 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NP(=S)(C(C)(C)C)C(C)(C)C 1 2.619 3 1 -10.207553255463 2326870 C1CC(=O)C(C(=O)C1)SC2=CC=C(C=C2)Cl 1 3.055 0 2 3.15944835169045 2326869 CC(=O)C1=CC=C(C=C1)NC(=O)C2(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.291 1 4 -9.7871827521017 2326856 C1CC(=NC1)NNC(=O)C2=CC(=CC=C2)Br 1 1.471 3 1 0 -6.35732607591343 2326850 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NP(=O)(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br 1 4.508 3 2 -10.8471036078553 2326849 CC1=CC(=O)N=C(N1)NN=CC2=C(OC3=CC=CC=C32)C 1 1.857 4 2 0 -9.32547885695323 2326817 C1C2=CC=CC=C2C3=NC(=O)C4=CC(=CC(=C4N31)Cl)Cl 1 3.781 2 1 2.62430273658656 2326803 CC1=CC=C(C=C1)C(=O)NN=C2N(C3=CC=CC=C3S2)C 1 3.684 3 1 -6.43186787731578 2326726 C1COCCN1P(=O)(C2=CC3=C(C=C2)OCCO3)N4CCOCC4 1 -0.277 2 5 0 -6.25914230509604 2326682 COC1=CC=C(C=C1)N2C=C(NC2=S)C3=CC=CC=C3 1 3.818 2 1 -2.05248686955681 2326681 CC1=C(SC(=N1)C)C(=O)NNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.773 3 3 0 -9.99890957585 2326678 CC1=C(SC(=N1)C)C(=O)NNC(=O)C2=CC=C(C=C2)Br 1 1.91 3 2 0 -7.09900809500596 2326677 CC1=C(SC(=N1)C)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.759 4 5 0 -13.0563025265805 2326674 CC1=CC(=CC=C1)S(=O)(=O)NNC(=O)C2=C(N=C(S2)C)C 1 1.351 3 3 0 -10.7124557153592 2326657 C=CCNC(=S)NC1=C(C=C(C=C1)F)F 1 3.54 2 0 -8.98275040556421 2326655 CCOC(=O)C1=CC=C(S1)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4 1 4.437 3 3 -10.2431332905239 2326654 C=CCNC(=S)NC1=C(C=C(C=C1)Br)F 1 4.083 2 0 -7.65064444809062 2326635 CCOC(=O)C1=CC=C(S1)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4Cl 1 5.101 3 3 -12.0829202017156 2326615 CN(C1CCCCC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.68 2 3 -19.6911197527625 2326614 C1COCCN1CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 -0.269 3 5 0 -24.2684734613596 2326609 C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.706 2 4 -17.4210881031543 2326563 C1CCC(CC1)NC(=S)NC2=CC=CC3=CC=CC=C32 1 5.278 2 0 -7.39223055844756 2326533 C1COCCN1C2=NC(=C(S2)C=O)C3=CC=CC=C3 1 2.054 2 2 2.16777454511161 2326531 C1=CC=C(C=C1)/C=C(/C=NNC(=O)CN2C=NC3=CC=CC=C32)\Br 1 3.069 4 1 -13.263117170003 2326520 C1CC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.332 2 4 0 -23.3030543719431 2326513 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=NC=C2)Cl 1 1.943 3 3 0 -13.4687431640273 2326508 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCOCC3 1 0.509 2 4 0 -20.5814283390023 2326501 CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 -0.735 3 5 0 -22.4183744284609 2326484 C1=CC=C2C(=C1)C=CC=C2OP(=O)(N)OCC(F)(F)F 1 2.66 1 3 -0.794326181952927 2326454 C1CCC(C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.244 2 4 0 -22.789448191776 2326446 CN(C)P(=O)(C(Cl)Cl)NC1=CC=CC=C1 1 1.571 2 1 0 1.1024955733835 2326445 CN(C)P(=S)(C(Cl)(Cl)Cl)NC1=CC=CC=C1 1 4.251 2 0 1.51800463057826 2326441 CN(C)P(=O)(C(Cl)(Cl)Cl)NC1=CC=CC=C1 1 3.352 2 1 0.651279047345153 2326421 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 1.422 5 5 0 -23.3347128143968 2326411 CCOC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=CS2 1 2.341 1 3 -10.2694680298193 2326408 C1CCCC(CCC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 2.613 2 4 -23.1439167059441 2326401 C1CCC2=NN3C4=C(C(=O)C(=C3N2CC1)C#N)C(=O)OC5=CC=CC=C54 1 1.864 4 3 0 -7.68261932027761 2326399 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)C(=O)NC3=CN=CC=C3 1 2.616 3 3 -6.32094163298163 2326384 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C 1 0.128 4 6 0 -15.5285183479378 2326380 CCN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC)OC 1 1.985 2 3 0 -7.92212244459573 2326373 CCOC(=O)C1=CSC(=N1)NC(=O)C2CCCCC2 1 2.706 2 3 -5.03326856677521 2326346 CCN(CC)C(=O)NCC1=C(C=C(C=C1C)C)C 1 3.315 2 1 -6.05292640137673 2326262 CCCC(=O)NC1=NC(=CS1)C(=O)OCC 1 1.703 2 3 0 -13.9978892206995 2326264 C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=CC(=CNC2=O)C(F)(F)F 1 0.665 3 5 0 -7.19039766770341 2326296 C\1CC(=C(/C1=C\C2=CC=CC=C2)N3CCOCC3)P(=O)(N4CCOCC4)N5CCOCC5 1 0.462 3 4 0 -3.1742743929889 2326272 CC1=CC(=O)C=C(C1=NSC2=CC=C(C=C2)OC)C 1 3.992 1 2 2.41803210526124 2326268 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NCCCN2CCCC2=O 1 2.249 3 2 -23.2950720397696 2326230 C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C(=O)NN=CC4=CC=C(C=C4)OC(F)F 1 5.671 4 2 -6.88150570380196 2326210 CC1=CC=C(C=C1)CN2CCN(CC2)N=C/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 3.845 4 2 7.32382792209123 2326206 C1CC2=CC=CC3=C(C=CC1=C23)C4=NNC(=C4)C(=O)NN=CC5=CC(=C(C=C5)Cl)[N+](=O)[O-] 1 5.433 5 3 0 -0.165545804556633 2326019 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.768 4 3 0 -20.6115854491191 2326010 COC1=CC(=C(C=C1)C=NNC(=O)CN2CCCC3=CC=CC=C32)OC 1 3.195 3 3 -12.5411800904394 2326009 C1CC2=CC=CC=C2N(C1)CC(=O)NN=CC3=C(C=C(C=C3)F)F 1 3.639 3 1 -9.81706655040156 2326008 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)CN2CCCC3=CC=CC=C32 1 4.088 4 1 -17.995340486795 2325968 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC3=C(C=C(C=C3)Cl)Cl)C 1 4.934 5 1 -4.25326838827681 2325961 CCCCNC(=S)NC1=CC2=C(C=C1)NC(=O)N2 1 2.703 4 1 -20.0119685766554 2325960 CCNC(=S)NC1=CC2=C(C=C1)NC(=O)N2 1 1.723 4 1 0 -16.830145603076 2325958 CNC(=S)NC1=CC2=C(C=C1)NC(=O)N2 1 1.375 4 1 0 -16.5839292563852 2325942 CC1=NN(C(=C1)NC(=O)C2CC2)C3=NC4=CC=CC=C4S3 1 2.967 4 1 -5.10857437220066 2325941 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)Cl)C 1 4.269 5 1 -5.12839119338058 2325892 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC(=C(C(=N2)OC)C3=CC=CC=C3)OC 1 3.871 3 6 0 -8.09132171427794 2325885 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)C3CC3)C 1 2.755 2 3 -9.30218258757827 2325879 CC1=CC(=C(N1C2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)C)C#N 1 3.668 3 1 8.03262161522312e-002 2325870 COC(=O)CCCCCNC(=S)NC1=CC2=C(C=C1)NC(=O)N2 1 2.564 4 3 0 -28.434670828959 2325863 C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC5=C4C3=CC=C5 1 3.7 3 0 5.72053361852626 2325846 CC1=CC(=C(N1C2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)C)C=O 1 3.548 2 2 0.666704890573272 2325840 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.896 3 5 0 -16.2901356372385 2325823 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl)C 1 5.353 6 1 0 -7.54413724432562 2325820 CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)C#N 1 2.304 4 3 0 -16.9387984936083 2325818 CN1C=CC=C1CC(=O)NNC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 4.228 4 1 -7.70204689209925 2325816 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4S3 1 2.735 2 3 -12.8104951049329 2325795 CCOC(=O)C1=C(N=C2C(=C1)C(=C(S2)C(=O)C3=C(N=C(C(=C3)C#N)SC)C)N)C 1 3.267 4 3 0 -14.3183058404207 2325794 CCOC(=O)C1=CC(=C(NC1=O)SCC(=O)C2=C(N=C(C(=C2)C#N)SC)C)C#N 1 2.25 4 4 0 -16.567060047363 2325736 C1OC2=C(O1)C=C(C=C2)NC(=O)CSCSCC(=O)NC3=CC4=C(C=C3)OCO4 1 2.2 2 6 0 -10.246873931454 2325697 CCOC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)C2=CC=NC=C2)/C(=O)C 1 2.473 1 5 -3.54955894486727 2325684 COC(=O)C1(C(=O)C2=CC=CC=C2S1)C(=O)OC 1 1.736 0 5 0 -1.6256805690117 2325678 CCOC(=O)C1=CNN(C1=O)C2=CC=C(C=C2)C 1 1.149 2 3 0 -5.03728651867113 2325654 CC1(CC=C(C(=O)C1)NNC(=O)C2=CN=CC=C2)C 1 0.595 3 2 0 -10.3879662738563 2325630 COC1=CC=CC(=C1)/C=C(/C2=CC=CC=C2)\C(=O)O 1 3.389 0 3 -2.34753512485024 2325572 C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)OCC(=O)O 1 4.946 3 4 0 -6.86379823778655 2325556 CC(C)(CNS(=O)(=O)C1=CC=C(C=C1)Cl)N2CCCCC2 1 3.043 2 2 -5.01042645840432 2325533 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 4.014 4 4 0 -17.3346122419755 2325526 CC1=NN(C(=C1C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Cl)C4=CC=CC=C4 1 2.456 5 4 0 -19.1323776610655 2325523 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O)C(=O)N 1 1.946 3 4 0 -18.7274663884463 2325508 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 2.347 4 4 0 -26.4037919833985 2325502 CC1=NN(C=C1C(=S)NC2=CC=CC=C2)C3=CC=CC=C3 1 4.495 3 0 2.70360134643489 2325488 CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=NNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 3.582 4 4 0 -24.6627886776331 2325477 CC(C)(C)C(=O)NC1=NC2=C(C=C(C=C2S1)[N+](=O)[O-])OC 1 3 3 4 0 -10.3366029799191 2325474 CCCCC(=O)NC1=NC2=C(C=C(C=C2S1)[N+](=O)[O-])OC 1 3.033 3 4 0 -8.62944928908158 2325472 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN=CC2=CC=CC=N2 1 1.775 4 3 0 -16.3895814533096 2325422 CC1=CC=C(C=C1)S(=O)(=O)C2=CNC3=C2C=C(C=C3)OC 1 3.695 1 3 -4.11059210295943 2325417 C1CC2=C(C(=O)C1)C3=C(O2)C4=CC=CC=C4C(=C3)NS(=O)(=O)C5=C6C=CC=C7C6=C(C=C5)NC7=O 1 3.784 2 5 0 -25.1179728161318 2325403 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 1.926 3 5 0 -16.1197091472025 2325364 C1=CC(=CC=C1C=NNC(=O)N)N2C(=CN=N2)C3=CC=C(C=C3)Cl 1 3.042 6 1 0 -4.15530210828622 2325311 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN=CC2=CC=CC=C2OCC(=O)O 1 1.963 3 6 0 -21.6972848669462 2325306 C1=CC=C(C=C1)C(=NCC2=CC=CO2)NC3=CC=CC=C3 1 3.64 2 1 -4.57647101365542 2325304 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=CC=C3OCC(=O)O 1 0.953 3 7 0 -25.4155789444884 2325280 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=C(C=C3)OC(F)F 1 2.293 3 5 0 -19.4581759191221 2325260 C1CC2=C(C1)SC3=NC=NC(=C23)NCC4=CC=CC=N4 1 3.034 4 0 -6.03890870747737 2325253 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=CC=C3OCC(=O)O 1 2.619 3 7 0 -16.0049065722078 2325244 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=C(C=C3)N4CCOCC4 1 3.004 4 5 0 -13.4683171534193 2325220 CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCCC3 1 4.169 3 3 -6.79726953229798 2325184 CC1=C(C(=CC=C1)NC(=O)C2=CC=C(S2)[N+](=O)[O-])C 1 3.559 2 3 0.954614257948794 2325164 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN=CC2=CC=C(C=C2)N3CCOCC3 1 2.347 4 4 0 -18.8192028173001 2325123 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=CC=C(C=C4)Cl 1 5.159 1 3 -9.41951921941475 2325119 C1C(=C(N(C1=O)C2=CC=CC=C2)N)C#N 1 0.645 3 1 0 -5.27751485586726 2325104 CC1(C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3Cl)C 1 4.017 1 2 -0.340228878537115 2325081 CC1=NN(C2=NC(=C(C=C12)C(=O)O)Cl)C3=CC=CC=C3 1 3.09 3 2 -1.01381553086565 2325056 CC1=CC=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)NC(=O)C4=CC=CO4)N 1 2.118 4 3 0 -3.72669763084564 2325055 C1CCN(CC1)C2=NC=C(C(=N2)C(=O)O)Cl 1 1.754 3 2 0 -1.54554474754151 2325052 CC1=CC=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])N 1 2.617 5 4 0 -6.53511054958664 2325048 C1=CC=C(C=C1)CCNC2=NC=C(C(=N2)C(=O)O)Cl 1 2.536 3 2 -5.15129124475147 2325032 C1C2=CC=CC=C2C3=NC(=O)C4=C(N31)C5=CC=CC=C5O4 1 3.048 2 2 1.47167375734072 2325026 C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4 1 2.068 4 2 -0.182203502238907 2325023 C1CCCN2C(=NC3=C2C(=C(C=C3)F)F)CC1 1 3.847 2 0 0.289056441247298 2324995 C1CCCN=C(CC1)NS(=O)(=O)C2=CC=CS2 1 2.196 2 2 -8.56195890184521 2324962 CC1=CSC(=NC(=O)C2=CC=CC=C2)N1CCO 1 1.685 2 2 0 -11.3173690059752 2324952 C1=CC=C(C=C1)C2=CN=C(N2)SCC(=O)NN 1 0.972 4 1 0 -2.4249787581522 2324950 CCOC(=S)SCC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)Br 1 4.799 2 2 -3.62049502917594 2324910 CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=C2C=C(C=C3)OCC=C)COC 1 4.37 1 4 -11.6349335697484 2324908 CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=C2C(=C(C=C3)OC)CC=C)COC 1 4.761 1 4 -8.65064777976615 2324901 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])F 1 3.42 2 6 0 -6.35492038004206 2324891 CC1=C(C(=C(C=C1)C2=C(C(=C(C=C2)C)N)C)C)N 1 3.8 2 0 2.26295798732614 2324886 C1CCN(C1)C(=O)/C=C/C2=CC=C(O2)C3=CC=C(C=C3)F 1 3.583 1 2 0.234775811745959 2324877 COC1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3S2 1 3.678 0 2 5.96260410512398 2324875 C1=CC(=CC=C1C2=CSC(=N2)CC(=NO)N)Br 1 2.491 3 1 7.54748012855174 2324824 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC(=O)C3=CC=CC=C3)C 1 3.004 5 2 0 -8.6928644828078 2324823 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC(=O)C3=CC=C(C=C3)OC)C 1 2.988 5 3 0 -8.12779230518496 2324822 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC3=CC=CC=C3)C 1 3.605 5 1 -7.10704402234074 2324818 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)NC3=CC=C(C=C3)Cl)C 1 2.775 5 2 0 -4.19047905410496 2324736 COC(=O)C1=CC=C(C=C1)CNC(=O)/C=C/C2=C(C=CC(=C2)[N+](=O)[O-])OC(F)F 1 3.644 2 6 0 -8.42647427278236 2324715 CCN\1C(=CS/C1=C(\C#N)/C2=NN=C3N2C4=CC=CC=C4SC3)C5=CC=C(C=C5)F 1 4.466 5 0 -5.00772135282179 2324658 CCOC(=O)CC1=CSC(=N1)N(C)C 1 1.036 2 2 0 -7.6820391759399 2324656 CC1=NN(C(=C1)NC(=NC)C2=CC=CC=C2F)CCC#N 1 2.116 5 0 -9.35774589263265 2324653 CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C(=O)OC 1 4.724 3 6 0 -33.1901928601265 2324649 CC1=NN(C(=C1C(=O)N2CCN(CC2)C)Cl)C3=CC=CC=C3 1 2.169 4 1 -2.72938273755118 2324622 COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)O 1 2.059 1 4 -3.21387899665789 2324620 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2 1 5.723 3 3 -12.4370540701939 2324615 CC1=CC=C(C=C1)S(=O)(=O)N2CCSC2=NC3=CC=CC=C3 1 4.074 2 2 -9.53731681337498 2324609 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NN3C=NN=C3 1 -0.635 5 3 0 -10.1816794726913 2324605 CN1C(=O)C2(C(=O)C3=CC=CC=C3S2)C(=O)N(C1=O)C 1 1.044 2 4 0 -4.64279313742374 2324602 CCOP1(=S)C2=C(N=C(N1C)C3=CC=CC=C3F)N(N=C2C)CCC#N 1 2.761 5 1 -5.43964516024326 2324595 CC1=NN(C(=C1C(=O)NCCN(C)C)Cl)C2=CC=CC=C2 1 2.144 4 1 -5.02736210592337 2324588 CC1=CC(=C(C2=NC3=C(C=CC(=C3)Cl)C(=O)N12)C#N)C 1 2.801 3 1 -5.12607461026509 2324541 CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(F)(F)F)CCC(=S)N 1 3.823 4 0 -4.42686767910734 2324533 COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43 1 2.884 3 5 0 -7.94423252322073 2324519 CC1=NN(C(=C1)NC(=NC)C2=CC=C(C=C2)F)CCC#N 1 2.116 5 0 -8.71833032849898 2324516 CC1=C2C(=CC(=O)N=C2N(N1)CCC#N)C(F)(F)F 1 0.624 4 1 0 -7.58267713689724 2324512 CCOP1(=S)C2=C(N=C(N1C)C3=CC=C(C=C3)F)N(N=C2C)CCC#N 1 2.761 5 1 -3.57570088597288 2324510 CC1=NN(C2=C1P(=S)(N(C(=N2)C3=CC=C(C=C3)F)C)OC)CCC#N 1 2.412 5 1 -3.30422786392551 2324502 CC1=NN(C(=C1)NC(=NC)C2=CC=CC=C2)CCC#N 1 1.911 5 0 0 -10.2258549214736 2324488 CC1=NN(C(=C1)NC(=NC2CC2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.998 4 0 -4.12974039372892 2324399 CC1=CSC(=N1)N2CCOCC2 1 0.339 2 1 0 -2.70584488471016 2324395 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3F)F 1 1.83 2 4 0 -21.9465665510545 2324392 C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4 1 1.522 5 1 0 -0.449693293180268 2324381 C1CCC2=NC(=O)C3=C(N2CC1)C=CC=C3Cl 1 2.867 2 1 -5.95559574882727 2324372 C1CC2=NC(=O)C3=C(N2C1)N=CC=C3 1 0.679 3 1 0 -5.4330081056255 2324360 C1=CC=C(C=C1)CNC(=S)NNC2=CC=CC=C2 1 3.768 3 0 -5.15229136280384 2324329 C1CN(CCN1CCS(=O)(=O)C(F)(F)F)C(C2=CC=CC=C2)C3=CC=CC=C3 1 5.207 2 2 -6.34255845457995 2324273 C1CC2(CCC1C2)C(=O)NC3=CC=C(C=C3)SC(F)F 1 4.281 1 1 -5.08787815731039 2324269 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CCC(C3)CC4 1 2.752 3 4 0 -10.2526879698502 2324263 C1=CC=C(C(=C1)C=NN2C=NC3=CC=CC=C32)OC(F)F 1 4.002 3 1 2.88044016521684 2324259 COC1=CC=C(C=C1)/C=C\2/C(=O)N3CCCCCC3=N2 1 2.358 2 2 -8.87303151817946 2324258 COC1=CC=C(C=C1)/C=C/2\C(=O)N3CCCCCC3=N2 1 2.358 2 2 -8.87303151817946 2324308 CCOC(=O)C1=CN=C2N(C1=O)N=CS2 1 0.585 3 3 0 -8.38266297048561 2324235 CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.46 5 6 0 -17.8576919842461 2324225 C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)C4=CC=C(C=C4)Br)NC(=O)C5=CC=C(O5)Br)C#N 1 5.497 5 2 0 -11.8480059981526 2324153 COC1=CC2=C(C=C1)OC(=NC3=CC(=CC=C3)F)C(=C2)C(=O)N 1 2.888 2 3 2.16794011944394 2324075 CC1=CC=[N+](C=C1)C2=NC3=CC=CC=C3N=C2C(=C=[N-])C#N 1 3.981 5 0 -5.1692648701044 2324063 CC1=C(N2C=CC=CC2=C1C#N)C(=O)C3=CC(=CC(=C3)OC)OC 1 3.69 2 3 -9.04216626271562 2323996 CC1=CC(=NC2=C(C(=NN12)C)Br)C 1 1.699 3 0 0 -4.85634298298419 2323945 CC1=NN(C(=C1)NC(=NC2CC2)C3=CC=CC=C3F)C4=CC=CC=C4 1 4.204 4 0 -3.13701289985215 2323933 CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)CCC#N 1 3.878 4 0 0.112829297824793 2323920 CC1=CC(=NC(=N1)N2C3=NC(=O)C=C(C3=C(N2)C)C(F)(F)F)C 1 1.529 5 1 0 -6.01702204508496 2323821 COC1=CC(=CC(=C1OC)OC)C=NN2C=NN(C2=S)CC3=CC=CC=C3Cl 1 4.408 4 3 0 -3.30058728760017 2323820 C1=CC=C(C(=C1)CN2C(=S)N(C=N2)N=CC3=CC=C(C=C3)F)Cl 1 4.663 4 0 1.09356912223384 2323818 CN(C)C1=CC=C(C=C1)C=NN2C=NN(C2=S)CC3=CC=CC=C3Cl 1 4.62 5 0 -2.27959428184406 2323810 COC1=C(C=C(C=C1)C=NN2C=NN(C2=S)CC3=CC=CC=C3Cl)OC 1 4.425 4 2 -3.91045766195484 2323773 C1CCC(=NCC1)NNC(=O)NC2=CC(=CC=C2)Cl 1 2.208 4 1 -4.79829628379619 2323769 C1CC(=O)C(=NNC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)C1 1 4.006 2 2 -1.90257379030222 2323753 C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)F 1 2.959 3 0 -1.9996981092266 2323750 CC(=O)CN1CC2=CC=CC=C2C1=NC(=O)NC3=CC=CC=C3 1 2.196 3 2 -6.55255321731317 2323738 CN(C)P(=O)(C(=C(N1CCCCC1)N2CCCCC2)Cl)N(C)C 1 2.125 4 1 -2.1882037596017 2323723 C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)O 1 4.008 2 3 -3.6768019139868 2323706 CC(C)CCOC1=CC=CC(=C1)OCC(=O)NC2=CC=NC=C2 1 2.863 2 3 -8.09274856810931 2323687 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NCCCCC2 1 2.285 2 3 -8.62403875404561 2323684 COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.06 3 6 0 -16.7329355244608 2323673 C1=CC(=CC=C1CNC(=O)/C=C/C2=C(C=CC(=C2)[N+](=O)[O-])OC(F)F)F 1 3.994 2 4 -4.97923709664293 2323671 C1=CC(=CC=C1CNC(=O)/C=C/C2=C(C=CC(=C2)[N+](=O)[O-])OC(F)F)Cl 1 4.453 2 4 -3.59034176545852 2323670 COC1=C(C=C(C=C1)CNC(=O)/C=C/C2=C(C=CC(=C2)[N+](=O)[O-])OC(F)F)OC 1 3.756 2 6 0 -9.79178420096723 2323649 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(N3)COC4=C(C=C(C=C4)Cl)Cl 1 3.239 3 4 0 -11.8766864486165 2323640 C1=CC=C2C(=C1)C=CC=C2NC(=O)/C=C/C3=C(C=CC(=C3)[N+](=O)[O-])OC(F)F 1 4.69 2 4 -4.14453081623815 2323635 COC1=CC=CC=C1NC(=O)/C=C/C2=C(C=CC(=C2)[N+](=O)[O-])OC(F)F 1 3.765 2 5 0 -6.45397441615651 2323632 C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2NS(=O)(=O)C3=CC=CS3 1 2.724 2 4 -9.91637580505447 2323616 CC1=CC=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C 1 2.425 3 3 -16.7305922914876 2323614 C1=CC(=CC=C1NC(=O)/C=C/C2=C(C=CC(=C2)[N+](=O)[O-])OC(F)F)OC(F)F 1 4.587 2 5 0 -3.01093055503279 2323593 CCOC(=O)C1=C(N(C(=S)S1)CC=C)NC(=O)C2=CC=C(O2)Br 1 3.906 2 4 -14.4776506777648 2323562 CCCCN(C(=O)NC(=O)NC1=CC=CC=C1OC)S(=O)(=O)C 1 1.819 3 5 0 -2.00214016407044 2323545 C1=CN=C(N=C1)N(C(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F 1 3.422 3 2 -2.29462341082269 2323543 CCCCCN(C(=O)NC(=O)NC1=C(C=C(C=C1)C)C)S(=O)(=O)C 1 3.264 3 4 0 -0.514017080363897 2323541 COCCNC(=O)COC1=CC=C(C=C1)OC2=CC=CC=C2 1 2.302 1 4 -9.86208285507079 2323538 CC(C)(C1=CC=CC=C1NC)C2=CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.658 3 3 -2.0706775607222 2323523 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=CS3 1 2.633 3 1 -7.48456207197939 2323522 COC1=CC=C(C=C1)C=NN2C=NN(C2=S)CC3=CC=CC=C3Cl 1 4.441 4 1 -3.12741123755487e-002 2323490 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C/C(=O)C(F)(F)F 1 1.272 3 2 0 -12.1902389414204 2323482 C1COCCN1CCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])OC(F)F 1 1.661 4 5 0 -6.63142114860882 2323451 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.847 4 3 0 -17.874993660303 2323445 CC(=O)NC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O 1 2.245 1 2 -5.36441358584239 2323428 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NN=C(C(=O)OC)C(=O)OC 1 0.336 4 5 0 -11.7799699356818 2323425 CCN1C(=NC2=C1C=CC(=C2)C(=O)NN=CC3=CC=C(C=C3)OC)C 1 2.998 4 2 -5.84840127881151 2323406 C1C2=CC=CC=C2C3=NC(=NN31)CC#N 1 1.489 4 0 0 -1.16080881154218e-002 2323380 C\1CC(=C(/C1=C\C2=CC=CC=C2)N3CCOCC3)C=O 1 2.397 1 2 -2.52339559059901 2323364 CN1/C(=C/C=C(C#N)C#N)/C=CC2=CC=CC=C21 1 2.564 3 0 4.51877561135447 2323263 CC1=CC(=CC=C1)NP(=O)(C)C2=NC3=C(S2)CCCC3 1 3.215 2 1 0.581635045698447 2323196 CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C 1 2.002 3 6 0 -19.8886352421267 2323166 COC1=C(C=C(C=C1)C(=O)NNC2=NS(=O)(=O)C3=CC=CC=C32)OC 1 1.42 3 5 0 -11.2166451282033 2323145 COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)NNC(=O)C3=CC=NC=C3)C4=CC=CC=C4 1 3.68 6 3 0 1.50894051984846 2323143 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC4=CC=CC5=C4C3=CC=C5 1 2.623 4 1 -6.22627004257587 2323138 CCN(CC)CCNC(=S)NC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3 1 4.905 5 2 0 -0.808280157088362 2323131 C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)NNC(=O)C3=CC=NC=C3)C4=CC=CC=C4 1 3.696 6 2 0 1.15435885062916 2323129 C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)NCCO)C3=CC=CC=C3 1 3.545 4 2 -0.986168202402217 2323119 C1=CC=C(C(=C1)C(=O)N/C=C/N2C=NC3=C2C=CC(=C3)C(F)(F)F)F 1 2.958 3 1 -4.02818953939464e-002 2323108 COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC=CC4=C3C2=CC=C4 1 3.48 2 3 0.959253824093413 2323014 CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC=NC=C4 1 3.336 3 3 -10.2678377324123 2323010 C1=CC(=CC=C1C(=O)NN)NS(=O)(=O)C2=CC=C(C=C2)Br 1 1.576 3 3 0 -5.28830228295239 2323007 CC1=NN(C2=C1P(=O)(/C(=C\3/C(C4=CC=CC=C4N3C)(C)C)/C=N2)O)C5=CC=CC=C5 1 3.755 4 2 3.68930346890957 2322999 CC1=NN(C(=C1C(C(F)(F)F)(C(F)(F)F)O)N)C2=CC=CC=C2 1 3.012 3 1 -2.2323729550869 2322972 C1C2=CC=CC=C2C(=NC(=O)C3=CN=CC=C3)N1C4=CC(=CC=C4)Cl 1 3.796 3 1 -2.54146295578213 2322955 CN\1C2=CC=CC=C2N(/C1=C(\C#N)/C3=NS(=O)(=O)C4=CC=CC=C43)CC=C 1 4.024 4 2 -10.5202954744058 2322934 CCOC(=O)C(=NCCOC)NNC1=C(C=CC(=C1)Cl)Cl 1 2.781 3 3 -1.98102401416517 2322930 C1C(=O)C(=C(N1CCO)N)C2=CC=CC=C2 1 0.456 2 2 0 -3.18613143001401 2322916 C\1CC(=C(/C1=C/C2=CC=C(C=C2)Cl)N3CCOCC3)C=O 1 3.061 1 2 -0.529453082927838 2322903 CN(C)C1=CC=CC(=C1)C(=O)N/C=C/N2C=NC3=C2C=CC(=C3)C(F)(F)F 1 2.915 4 1 -1.26979063430792 2322902 CC1=NN(C=C1C=NNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.895 4 2 4.2063946821466 2322891 CCN(CC)C1=CC(=CC=C1)OC(=O)C2=C(N=CC=C2)Cl 1 3.844 2 2 -6.52725711228485 2322855 CCN1CCN(CC1)C(=NNC2=C(C=CC(=C2)Cl)Cl)C(=O)OCC 1 3.424 4 2 0.350714008012695 2322839 CC1=NN(C(=C1)NC(=NC)C2=CC=CC=C2)C3=CC=CC=C3 1 3.508 4 0 -4.26435139880875 2322836 CC1=NN(C(=C1)NC(=NC)C2=CC=C(C=C2)F)C3=CC=CC=C3 1 3.714 4 0 -2.46379534378591 2322807 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O 1 0.755 1 5 0 -20.8869142936698 2322800 CC1=NN(C(=C1)N=C/C=C\2/C(C3=CC=CC=C3N2C)(C)C)CCC#N 1 3.349 5 0 7.88787305352444 2322798 C1CC2=C(C1)SC3=C2C(=O)N=C4N3CC5=CC=CC=C54 1 3.166 2 1 -6.53162688102753 2322794 C1(=C(C(=NC(=C1Cl)Cl)C(=O)NN)Cl)N 1 1.074 4 1 0 -0.382367702089051 2322773 COC1=CC=C(C=C1)C(=O)N=C2N=C3C=CC=CN3S2 1 1.969 3 2 0 -9.07074247100633 2322771 C1C2=CC=CC=C2C(=NC(=O)NC3=CC=CC=C3)N1C4=CC=CC=C4 1 4.191 3 1 -3.65626646791672 2322696 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=NN3C=NN=C3 1 2.371 5 4 0 -9.93177399725828 2322729 CN1CCN(CC1)CP(=O)(N2CCOCC2)N3CCOCC3 1 -1.561 4 3 0 -1.35583635888813 2322639 CC1=CC(=O)N=C(N1)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3 1 2.235 4 4 0 -15.6732184743107 2322593 CC(=O)CNC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=CC=C2 1 1.777 3 3 0 -6.53957371489419 2322592 CC1=CC(=NC(=S)N1)N2CCN(CC2)C 1 1.019 4 0 0 -3.40851693343688 2322587 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCCNC(=O)C2=CN=CC=C2 1 1.206 3 5 0 -21.8321426097495 2322533 C1=CC=C(C=C1)C2=CP(=O)(C=C(O2)C3=CC=CC=C3)O 1 1.786 0 3 0 1.26078178189393 2322521 COC1=C(C(=NC(=N1)NC(=O)C2=CC=C(C=C2)F)OC)C3=CC=CC=C3 1 4.126 3 3 -3.65544260517835 2322497 CC(C)C1=CC=C(C=C1)NC(=O)C2=C3C=C(C=CC3=NS2)Cl 1 5.113 2 1 0.625888103407753 2322493 CCNC1=C(C=C(C=C1)C(=O)OCC)NC(=O)C2=CC(=CC=C2)N(C)C 1 3.138 3 3 -16.9804388148366 2322492 CC1=C(C=C(C=C1)NC(=O)C2=C3C=C(C=CC3=NS2)Cl)C 1 4.892 2 1 -4.53243121056363e-002 2322451 COCCNC(=O)C1=C2C=C(C=CC2=NS1)Cl 1 2.212 2 2 -5.74920676674125 2322434 C1=CC=C(C=C1)C2=CSC3=NC(=O)C4=CC=CC=C4N23 1 3.206 2 1 -4.22247037266054 2322379 C1CCC2=C(C1)N=C(S2)P(=O)(C3=CC=CC=C3)NC4=C(C=CC=C4Cl)Cl 1 5.634 2 1 -3.55781796942969 2322378 C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=CC=C3N 1 1.98 1 5 0 -12.8886619183097 2322352 C1=CC=C(C=C1)CNC(=O)COCC(=O)NCC2=CC=CC=C2 1 1.337 2 3 0 -9.90078301030363 2322338 CC1=CC2=NC=C(C(=O)N=C2C=C1)NNC3=CC=CC=C3 1 2.036 4 1 -2.83426983976192 2322337 CC1=CC(=O)N=C(N1)N=C(N)NC2=CC=C(C=C2)SC(F)F 1 1.891 5 1 0 -11.8352521534613 2322334 C1=CC=C(C=C1)NC2=CC(=NN2)NC3=CC=CC=C3 1 3.4 4 0 1.94173034048733 2322325 CN1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 0.684 4 5 0 -16.913721661844 2322284 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 2.205 4 4 0 -21.2377614732006 2322275 C1=CC2=NN=C(N2C=C1)SC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-] 1 2.789 4 4 0 -10.615117166989 2322230 C1COCCN1CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=CC=C4 1 2.929 4 1 2.99243498103924 2322219 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC5=CC=CC=C5O4 1 3.731 3 4 0 -9.76259368289127 2322197 C1=CC=C(C(=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)NS(=O)(=O)C3=CC=CS3 1 4.125 3 3 -6.57718426491511 2322195 C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)NS(=O)(=O)C3=CC=CS3 1 3.461 3 3 -6.37527426754171 2322191 C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2NS(=O)(=O)C3=CC=CS3 1 2.797 3 3 -8.52234009351428 2322189 C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=CS3 1 3.002 3 3 -7.48539593266328 2322183 C1=CC=C(C(=C1)NC(=O)NC2=CC(=CC=C2)Cl)NS(=O)(=O)C3=CC=CS3 1 3.461 3 3 -5.54579792794787 2322167 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4O3 1 3.27 3 4 0 -1.34918001050419 2322162 C1CCC(=NCC1)NS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.282 2 2 -4.85647020171061 2322159 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.159 2 2 -6.7329723677282 2322147 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CS2 1 1.74 2 2 0 -8.56195890184521 2322146 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC=C2Cl 1 2.617 2 2 -9.05783800007302 2322142 C1C2=C(C3=CC=CC=C3S1)N=C(S2)NC(=S)NC(=O)C4=CC=CC=C4 1 4.611 3 1 -8.65210392334309 2322122 C1CC(=O)C(=C2N(C1)C(=CS2)C3=CC=C(C=C3)Br)C#N 1 3.086 2 1 -5.72070724345809 2322121 C1CC(=O)C(=C2N(C1)C3=CC=CC=C3S2)C#N 1 2.787 2 1 -6.31869203826201 2322065 CC1=C(N2C=CC=CC2=C1C=NOC(=O)C)C=O 1 1.849 2 3 0 -1.68343363409503 2322064 CC1=C(N2C=CC=CC2=C1C=NO)C=O 1 2.026 2 2 1.69248821472409 2322061 CC1=C(N2C=CC=CC2=C1)C(=O)C3=CC=C(O3)[N+](=O)[O-] 1 3.258 2 4 -3.93208899233515 2322060 CC1=C(N2C=CC=CC2=C1C=O)C(=O)C3=CC=NC=C3 1 2.453 2 2 -3.23328244129575 2322059 CC1=C(N2C=CC=CC2=C1)C(=O)NC3=CC(=CC=C3)Cl 1 3.889 2 1 -2.68859943914932 2322057 CC1=C(N2C=CC=CC2=C1)C(=O)C3=CC=NC=C3 1 2.693 2 1 -5.11717167734368 2322056 CC1=C(N2C=CC=CC2=C1)C(=O)C3=CC=C(C=C3)Cl 1 4.508 1 1 -2.48045515010715 2322055 CC1=C(N2C=CC=CC2=C1)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.403 2 3 -7.19139311096157 2322054 CC1=C(N2C=CC=CC2=C1)C(=O)C3=CC=CC=C3Br 1 4.592 1 1 -4.58635507138503 2322053 CC1=C(N2C=CC=CC2=C1)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.633 3 5 0 -6.15462838988317 2322048 CC1=C(N2C=CC=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl 1 3.889 2 1 -3.37823787452152 2322046 CC1=C(N2C=CC=CC2=C1)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.633 3 5 0 -7.12851265614346 2322045 CC1=C(N2C=CC=CC2=C1)C(=O)C3=CC=CC=C3F 1 4.049 1 1 -4.88453922995716 2322044 CC1=C(N2C=CC=CC2=C1)C(=O)C3=CC(=CC=C3)F 1 4.049 1 1 -3.60030406688246 2322035 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)NN=CC4=COC5=CC=CC=C5C4=O 1 4.473 4 3 0 6.05794443912994 2322027 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)NN=CC4=CC=C(O4)[N+](=O)[O-] 1 4.476 5 4 0 6.26870416455612 2322026 COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4 1 4.254 5 5 0 5.14386092994673 2322025 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(=O)NN=CC4=CC=C(O4)[N+](=O)[O-] 1 4.935 5 4 0 7.37882582967769 2322024 C1=CC=C(C=C1)C2=NN(C=C2C(=O)NN=CC3=COC4=CC=CC=C4C3=O)C5=CC=CC=C5 1 4.267 4 3 0 4.57851953530124 2322022 C1=CC=C(C=C1)C2=NN(C=C2C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4 1 4.27 5 4 0 4.78927926072743 2321976 C\1CC(=C(/C1=C\C2=CC=CC=C2)N3CCOCC3)C#N 1 2.624 2 1 -3.84947700656137 2321919 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 1.961 4 4 0 -21.2717078804356 2321917 COC1=CC=CC=C1N2CCN(CC2)C3=CC(=O)CCC3 1 2.54 2 2 -2.80668359347321 2321873 CC1=CC=C(O1)C(=O)CSC2=NN=NN2C3=CC=CC=C3 1 2.597 4 2 -14.9902704945354 2321749 CN1C=CC=C1C=NC2=CC=C(C=C2)N(C)C 1 3.179 3 0 0.818607507557372 2321745 CCN1C(=C(C2=CC=CC=C21)P(=O)(N3CCOCC3)N4CCOCC4)C 1 0.931 3 3 0 -1.73861409006924 2321718 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=C(C=CC=C3F)F 1 4.822 1 1 -6.52267005382434 2321697 CC1=C2C(=NC(=NC2=O)C(Cl)(Cl)Cl)N(N1)C3=CC=CC=C3 1 2.574 4 1 -4.08636644110873 2321673 CCOC(=O)C(=NC(C)C)NNC1=C(C=CC(=C1)Cl)Cl 1 3.638 3 2 7.5003036493461e-002 2321655 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)NC3=CC=CC=C3N4CCOCC4)Cl 1 4.176 3 3 -7.40327902604014 2321604 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NC4=CC=C(C=C4)SC(F)F 1 4.96 3 1 -5.57397112332773 2321602 C1CC(=NC1)NS(=O)(=O)C2=CC=C(C=C2)F 1 1.246 2 2 0 -6.12945527316778 2321599 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5 1 3.447 4 2 -5.79297638969025 2321546 CN1C=CC=C1CC(=O)NNC(=O)NC2=CC=C(C=C2)F 1 1.611 4 2 0 -8.8892171272706 2321545 CN1C=CC=C1CC(=O)NNC(=O)NC2=CC=C(C=C2)Cl 1 2.069 4 2 -7.77909546214903 2321543 CN1C=CC=C1CC(=O)NNC(=O)NC2=CC(=CC=C2)Cl 1 2.069 4 2 -6.94961912255519 2321528 COC1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.093 3 4 0 -14.5518503554601 2321526 COC1=C(C=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)N4CCOCC4)OC 1 2.077 3 5 0 -19.8454574206458 2321507 CC1=CC(=C(C#N)C#N)C=C(N1CCN2CCN(CC2)C(=O)NC3=CC(=CC=C3)Cl)C 1 2.775 6 1 0 -5.81053699573055 2321502 COC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)NS(=O)(=O)C3=CC=CS3 1 3.124 2 4 -7.58767129042861 2321500 CC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)NS(=O)(=O)C3=CC=CS3 1 3.626 2 3 -7.17470508128447 2321468 C1=CC=C2C(=C1)N=C(C3=CN=NN23)C(Cl)(Cl)Cl 1 2.817 4 0 -1.35970561500438 2321431 CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)SC3=CC=C(C=C3)F)N)C 1 3.348 5 0 2.23869792016687 2321430 CN(C)C1=CC=C(C=C1)C=NN2C3=CC=CC=C3C=N2 1 3.487 4 0 -1.17053385894843 2321335 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN4CC5=CC=CC=C5C4=N3 1 3.128 4 2 -8.34095270418648 2321286 C1CCC2=NC(=O)C3=C(N2CC1)C=CC(=C3)[N+](=O)[O-] 1 2.097 3 3 -4.23595900152622 2321209 C1=CC=C2C(=C1)C(=O)C(=C3N2C4=CC=CC=C4O3)C5=NC6=CC=CC=C6O5 1 4.982 2 3 5.75918161913146 2321190 COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)O 1 5.383 3 3 3.41721052913315 2321187 C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)F 1 5.846 3 1 2.70579301487707 2321171 C1=COC(=C1)C(=O)ON=C(C2=NC(=CS2)C3=CC=C(C=C3)Br)C(=O)N 1 3.225 3 4 0 -0.638038698855505 2321157 COC1=CC(=CC(=C1OC)OC)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O 1 2.804 2 6 0 -17.1002175362214 2321146 CCOC(=O)C1CCN(CC1)CC(C)(C)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.802 2 4 -9.37857634525521 2321124 CN\1C=C(C=C/C1=C(\C#N)/C2=NN=C3N2CCCCC3)C(F)(F)F 1 2.372 5 0 -8.8401120917089 2321116 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NC4=NC=CS4 1 2.594 4 1 -6.58861700809694 2321096 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN4CC5=CC=CC=C5C4=N3 1 2.672 4 2 -7.9864841900184 2321043 CCCN\1C2=CC=CC=C2N(/C1=C(\C#N)/C3=NS(=O)(=O)C4=CC=CC=C43)C 1 4.28 4 2 -6.68120635762369 2321009 CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CS3)S2)C 1 4.252 2 1 -9.26960988986691 2320992 CN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.78 2 3 -9.73521785860217 2320915 CN(C)C1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)Br 1 3.297 3 2 -2.96434404941903 2320898 CC1C/C(=C\C2=CC=CC=N2)/C(=O)/C(=C\C3=CC=CC=N3)/C1 1 3.945 2 1 1.85886907443217 2320855 C1C(N=C(C(=O)O1)NNC2=CC(=C(C=C2)Cl)Cl)(CO)CO 1 1.187 3 4 0 2.36377363836851 2320778 C\1CC(=C(/C1=C\C2=CC=CC=C2)N3CCOCC3)C=NNC(=O)NC4=CC=CC=C4 1 3.399 4 2 -5.27395946653372 2320755 CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C(C(F)(F)F)(C(F)(F)F)O)N 1 4.179 1 3 -2.1344597370888 2320752 CCCCCN(C(=O)NC(=O)NN1C=NN=C1)S(=O)(=O)C 1 -9.e-002 6 4 0 -1.11978727293345 2320716 CN1C=C(C=CC1=O)C(=O)NN=CC2=C(/C(=C\C3=CC=CC=C3)/CC2)N4CCOCC4 1 1.503 4 3 0 -9.05226200777684 2320708 C1=CC2=C(C=CC(=C2)C=NNC(=O)C3=CC=CO3)N=C1 1 2.264 3 2 -3.99247511378931 2320670 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.212 2 6 0 -0.275363458533601 2320653 CCCCCN(C(=O)NC(=O)NC1=NN=CS1)S(=O)(=O)C 1 0.765 5 4 0 -0.87334104326743 2320640 CC1=CC=C(C=C1)NC(=S)NNC(=S)NCC2=CC=CC=C2 1 4.892 4 0 -7.01817993971119 2320560 CC1=CC(=NC2=C3C=CC=CC3=NN12)C 1 2.005 3 0 -3.86189086900517 2320547 CC\1(C2=CC=CC=C2N(/C1=C/C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C)C)C 1 3.59 3 3 1.86382785019884 2320541 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)/C=C\3/C(C4=CC=CC=C4N3C)(C)C 1 3.796 4 1 -5.35737454416469 2320479 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCC2=CC=CC=C2 1 2.271 2 4 -19.1377392208241 2320453 CC1=CC=C(C=C1)C(=O)NC2=CC(=NN2CCC#N)C 1 2.136 4 1 -13.5888088591634 2320452 CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC#N 1 1.544 5 3 0 -15.4949100521869 2320430 CC1=NN(C(=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl)CCC#N 1 2.979 4 1 -9.43988658992518 2320429 CC1=NN(C(=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)CCC#N 1 2.814 4 2 -12.1705880777169 2320426 CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)F)CCOC(=O)C3=CC=C(C=C3)F 1 3.586 3 3 -13.9252315572063 2320419 CCN(CC)P(=O)(C1=C(C=C(C=C1)N(C)C)NC(=O)C2=CC=CO2)NC3=C(C=C(C=C3)C)Br 1 4.207 4 3 0 -6.30762334008148 2320418 CN(C)C1=CC2=C(C=C1)P(=S)(OC(=N2)C3=CC=CO3)N4CCOCC4 1 2.416 3 3 -5.97248126920087 2320415 CCN(CC)P(=O)(C1=C(C=C(C=C1)N(C)C)NC(=O)C2=CC=CO2)NC3=CC=CC(=C3)C(F)(F)F 1 3.914 4 3 0 -2.67646263653832 2320414 CCN(CC)P(=O)(C1=C(C=C(C=C1)N(C)C)NC(=O)C2=CC=CO2)NC3=CC=C(C=C3)SC(F)F 1 4.336 4 3 0 -6.92717473166952 2320407 CCN(CC)P(=O)(C1=C(C=C(C=C1)N(C)C)NC(=O)C2=CC=CO2)NC3=CC=CC=C3Br 1 3.72 4 3 0 -6.56235093425996 2320402 CN(C)C1=CC=CC(=C1)NC(=O)C2=CC=CO2 1 2.172 2 2 -5.01147535859572 2320400 CN(C)C1=CC(=C(C=C1)P(=O)(NC2=CC=CC(=C2)C(F)(F)F)N3CCOCC3)NC(=O)C4=CC=CS4 1 3.463 4 3 0 -5.51229685555556 2320399 CC1=CC=C(C=C1)NP(=O)(C2=C(C=C(C=C2)N(C)C)NC(=O)C3=CC=CS3)N4CCOCC4 1 3.006 4 3 0 -8.89363706573426 2320398 CC1=C(C=C(C=C1)NP(=O)(C2=C(C=C(C=C2)N(C)C)NC(=O)C3=CC=CS3)N4CCOCC4)Cl 1 3.671 4 3 0 -9.34885936474679 2320397 CN(C)C1=CC(=C(C=C1)P(=O)(NC2=CC=CC=C2)N3CCOCC3)NC(=O)C4=CC=CS4 1 2.52 4 3 0 -9.14768543063239 2320396 CC1=C(SC2=C1C(=NC(=N2)C)SCN3C(=O)C4=CC=CC=C4N=N3)C 1 4.413 5 1 -21.4099350301014 2320388 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCCCC2 1 1.584 2 5 0 -13.0017172940054 2320375 C1=CC(=CC=C1CC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)OC(F)F)SC(F)F 1 5.625 2 2 -6.03766639669079 2320313 CN1C2=NC=C(N=C2C(=O)N(C1=O)C)NNC(=O)C3=CC=CC=C3 1 0.988 6 3 0 -11.4333996249435 2320304 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)O 1 1.519 4 4 0 -22.5928263458832 2320295 CC1=NN(C(=C1SC2=CC=C(C=C2)F)N)C3=NC4=CC=CC=C4S3 1 4.666 4 0 7.72545184445647 2320289 C1CCCN(CC1)C(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.029 2 2 -8.4672559863318 2320287 CC(C)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.448 2 5 0 -20.3793172936553 2320270 C1=CC=C2C(=C1)C=CC(=N2)NC3=C(C=C(C=C3)F)F 1 3.879 2 0 6.09427886900203 2320265 CC\1(C2=CC=CC=C2N(/C1=C\C=C(/C#N)\C(=O)NC3=CC=CC=C3F)C)C 1 4.122 3 1 -0.4590321456726 2320262 CC1=C2C(=NC(=NC2=O)C(F)(F)F)N(N1)C3=CC=CC=C3 1 1.984 4 1 0 -3.05688664270076 2320258 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C4N3C=CC=C4 1 3.242 4 3 0 -26.8887699818402 2320235 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)C=NN3C=NN=C3 1 2.767 5 2 0 1.0774201654627 2320177 C1CCC2=NN=C(N2CC1)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F 1 5.092 4 0 -0.539670004813076 2320115 C1COCCN1C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -0.429 2 6 0 -22.278322763355 2320116 CCN(CC)C(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 0.581 2 5 0 -24.4724332913214 2320124 C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.257 2 5 0 -22.648474825741 2320156 CC(C)(C)OC(=O)NN=CC1=CN(N=C1C2=CN=CC=C2)C3=CC=CC=C3 1 3.616 5 2 0 0.958689953296418 2320143 CN(C)N=CC1=CN(N=C1C2=CN=CC=C2)C3=CC=CC=C3 1 2.586 5 0 7.80856080753209 2320108 CCOC(=O)C1CCN(CC1)CC(C)(C)NS(=O)(=O)C2=CC=C(C=C2)C 1 2.624 2 4 -11.200575035842 2320101 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.747 3 4 0 -14.7487702203362 2320029 C1=CC=NC(=C1)/C=C/2\C(=O)N(C(=S)S2)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.919 4 1 3.1144872511377 2320026 CCOC(=O)C1CCN(CC1)CC(C)(C)NS(=O)(=O)C2=CC=CC=C2 1 2.138 2 4 -12.0965846750782 2320014 C1=CC(=CN=C1)C2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 1.592 5 4 0 -11.7245125368506 2320001 CC(=O)/C(=C\C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)/C(=O)OCCOC 1 3.144 0 6 -6.60150793259205 2319979 CCOC(=O)C(=NC(C)(C)C)NNC1=C(C=CC(=C1)Cl)Cl 1 3.843 3 2 0.482304864677436 2319975 CC1=C(C=C(C=C1)C(=C(Cl)Cl)NC(=O)N2CCOCC2)F 1 2.528 2 2 -1.80549665453505 2319965 C1CCN(CC1)P(=O)(CN2CCN(CC2)C3=CC=CC=C3)N4CCCCC4 1 2.57 4 1 1.54166474348628 2319959 CC(C)(C1=CC=CC=C1NC)C2=CC(=NO2)C3=CC(=CC=C3)Br 1 5.512 2 1 2.42669968310916 2319946 C1=CC=C2C(=C1)N=C(S2)SCC3=CSC(=N3)CC#N 1 3.571 3 0 -4.33337813826427 2319926 C1COCCN1P(=O)(C(Cl)Cl)N2CCOCC2 1 -0.424 2 3 0 -2.85606464845511 2319923 C1COC(O1)(CC(=O)NC2=CC3=C(C=C2)OCO3)C(F)(F)F 1 1.576 1 5 0 -8.86093949180584 2319922 C1CCN(CC1)C(=O)CSC2=NN=CC3=CC=CC=C32 1 2.384 3 1 -8.68656490139744 2319910 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NN=C(C#N)C#N 1 0.383 6 1 0 -13.1346661486029 2319902 C1=CC(=CC(=C1)F)C(=O)NC2=CC(=C(C=C2)OC(C(F)F)(F)F)NC(=O)C3=CC(=CC=C3)F 1 5.29 2 3 -7.24095104307404 2319894 C1CCC2=C(C1)N3C(=NCCS3(=O)=O)S2 1 1.359 2 2 0 -8.44084684926982 2319893 CC1=C(C=C(C=C1)C2=CSC3=NS(=O)(=O)CCN23)C 1 2.376 2 2 -1.76526767822639 2319892 C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NN=C4N3C=CC=C4 1 2.341 4 3 0 -16.9831072173346 2319880 C1COC2=C(O1)C=CC(=C2)C=NNC(=O)C3=CC=NC=C3 1 1.318 3 3 0 -8.65779262325824 2319869 CC1=CN=C(C=C1)NC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 2.219 3 4 0 -10.3448612481939 2319853 C1CS(=O)(=O)N=C2N1C(=CS2)C3=CC=CC4=CC=CC=C43 1 1.666 2 2 0 -2.15256687132157 2319852 CC1=CC=C(C=C1)C2=CSC3=NS(=O)(=O)CCN23 1 1.89 2 2 0 -3.00791535647122 2319851 CC1=CC(=C(C=C1)C)C2=CSC3=NS(=O)(=O)CCN23 1 2.376 2 2 -2.98491452985892 2319808 CC1=NC2=C(S1)C=C(C=C2)N3C=CC(=O)C=C3 1 1.902 2 1 0 -1.06140510317563 2319799 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)N=CC=C4 1 1.893 4 2 0 -13.747760187026 2319772 CC(C)(C1=CC=CC=C1NC)C2=CC=NN2 1 2.806 3 0 -3.24193777932997 2319752 C1=CSC(=C1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.741 2 3 0 -11.6205476823021 2319736 CC(=O)C1=CC=C(C=C1)N2C(=CN=N2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.033 4 3 0 -6.16057709948651 2319701 CC1=C(C=C(C=C1)C(=C(Cl)Cl)NC(=O)N2CCCCC2)F 1 3.757 2 1 -0.237200204759458 2319682 CC1=NN(C(=C1P(=O)(NC2=CC=C(C=C2)Br)N3CCOCC3)NC(=O)C4=CC=CC=C4)CCC#N 1 2.189 6 3 0 -10.5879547736458 2319663 CCOC(=O)C(=NC(C)(C)C)NNC1=CC=CC(=C1)C(F)(F)F 1 3.456 3 2 3.16089922608232 2319637 CCOC(=O)C(=NCCCN(C)C)NNC1=CC=C(C=C1)Br 1 2.532 4 2 -2.22401310603407 2319604 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=C(C=C2)F)F 1 3.308 2 3 -12.7980435235475 2319586 C1COCCN1C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.361 2 4 -6.16955073570747 2319566 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)/C(=O)NCCCO 1 2.54 5 3 0 -8.28195516470255 2319562 C1C2=CC=CC=C2C(=NS(=O)(=O)C3=CC=CC=C3)N=C4N1C=CC=C4 1 2.11 3 2 -8.06847183283194 2319561 CC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.74 2 5 0 -20.6627769903069 2319558 CC1(CC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)Cl)CCC#N)C(=O)C1)C 1 3.922 3 2 -4.42150643377968 2319505 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCC2=CC=CO2 1 1.453 2 5 0 -20.476410990587 2319499 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3/C=C\4/C(=O)N(C(=S)N4)C5=CC=CC=C5)CCC#N 1 5.706 5 1 -0.855977764977192 2319492 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3C=NNC(=S)N)CCC#N 1 3.893 6 0 -1.58186130278974 2319485 C1=CC(=CC=C1C2=NN(C=C2C=NNC(=S)N)CCC#N)Br 1 3.123 6 0 -2.73819638316478 2319470 C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=S)N)CCC#N 1 2.375 6 0 -3.57805174496536 2319455 CC1(CC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)F)CCC#N)C(=O)C1)C 1 3.463 3 2 -5.53162809890124 2319413 C1=CC(=C(C(=C1)Cl)Cl)C=NNC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 2.818 3 2 -3.48073604133031 2319403 CCOC(=O)C(=NC1CCCCC1)NNC2=CC=CC(=C2)C(F)(F)F 1 4.383 3 2 3.38421079649885 2319352 CC1=CC(=NO1)NC(=O)C2=CC3=C(C=C2)N=C(S3)C 1 2.097 3 2 -14.1403640236515 2319307 CCOC(=O)C(=NCCCN(C)C)NNC1=C(C=CC(=C1)C(F)(F)F)Cl 1 3.391 4 2 0.711222474179422 2319295 CC1=C(N2C=CC=CC2=C1C=NNC(=O)C3=CC(=O)NC(=O)N3)C(=O)C4=CC=CC=C4 1 2.086 5 4 0 -14.6504948709409 2319271 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5 1 3.879 5 2 0 2.91007803630834 2319268 C1=CC(=CC=C1C2=NN(C=C2C=C(C#N)C#N)CCC#N)Cl 1 3.255 5 0 2.88526713907723 2319248 CC(=O)NC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3 1 3.123 3 1 5.43044964203714 2319244 C1=CC=C(C=C1)C2=NN(C=C2NC(=O)CCl)C3=CC=CC=C3 1 3.656 3 1 4.97194762371032 2319234 C1=CC(=CC=C1C2=NN(C=C2C=NO)CCC#N)Cl 1 2.896 4 1 6.29097670282992 2319222 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=C(C=CC(=C4)O)OC3=O)C=O 1 3.55 2 4 10.2201707446965 2319211 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)/C(=O)O 1 3.439 4 3 0 -2.80499414058949 2319204 COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)O)C3=CC=CC=C3)[N+](=O)[O-] 1 3.978 3 5 0 7.66581677197031 2319163 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=NC3=CC=CC=C3N=C2SC 1 4.094 3 2 -7.27394340615279 2319103 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4C=CC(=NC(=O)C5=CC=C(C=C5)F)C=C4 1 3.002 6 4 0 -11.3281483465502 2319058 CC1=CC=CN2C1=NC(=C(C2=O)C=NO)N3CCCC3 1 1.096 4 2 0 -7.33386915684875 2319054 C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=CC=C3NC(=O)/C=C/C(=O)O 1 2.09 1 8 0 -19.8289285991232 2319043 CC(C)(C)NC(=S)NC1=CC=CC(=C1)C(F)(F)F 1 4.385 2 0 -5.0918111540899 2319024 CC1=C(C=C(C=C1)C(=C(Cl)Cl)NC(=O)NCCCN2CCOCC2)F 1 2.523 3 2 -4.97013651023347 2318992 C1CCC(CC1)NC2=NC(=NC3CCCCC3)C4=CC=CC=C42 1 4.894 3 0 0.371278258907124 2318983 CC1=CC=C(C=C1)N=CC2=C(N(C(=C2)C)C3CCCC3)C 1 4.905 2 0 3.68215275258647 2318939 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)C(=O)O 1 2.684 1 4 -16.5431761288564 2318923 C1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)C(=O)C4=CC=CC=C4 1 4.329 5 4 0 -16.1584532438469 2318917 CN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)OC 1 3.796 2 2 -8.19092764326203 2318913 CN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.707 3 3 -10.2856490850353 2318867 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC(=O)C3=COCCO3)Cl 1 0.77 2 5 0 -18.5577684717895 2318783 CCCCCN1CC(=O)C(=C1N)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 4.254 3 1 -0.874869495512122 2318832 COC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C42 1 4.041 3 4 0 0.442015074052275 2318828 C1=C(C(=C(C2=C1SC(=N2)N)F)F)F 1 2.325 2 0 3.80672405194991 2318822 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2N3CCOCC3 1 2.747 3 4 0 -15.6428268799394 2318818 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C(=C(C=C2)F)F)F 1 3.513 2 3 -13.2964758120957 2318750 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N 1 2.601 3 4 0 -24.2623642762774 2318726 C1CCC2=NN=C(N2CC1)CCN3CCN(CC3)C4=CC=CC=C4 1 2.972 5 0 -2.81822639650756 2318694 CN1C=NN=C1SC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4 1 3.089 6 2 0 -13.8074030162597 2318690 CN1C=CN=C1SC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4 1 3.613 5 2 0 -4.92286067345134 2318667 C1COC2=C(O1)C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)F 1 2.857 0 4 2.90441979526213 2318659 C1=CC=C(C=C1)CC(=O)NN2C=NC3=CC=CC=C32 1 2.419 3 1 -5.47495723548212 2318633 CC1=CC2=C(C=C1C)N(C=N2)N=CC3=CC4=C(C=C3)OCO4 1 3.937 3 2 0.251935286188078 2318631 CCOC1=CC(=C(C=C1)C(=O)CC2=CC3=C(C=C2)OC(=C3)C(=O)OCC)O 1 4.158 0 6 2.9103442877425 2318621 C1=CC=C2C(=C1)C(=O)N3C4=CN=C(N=C4C(=O)C(=C3N2)C#N)NCCCO 1 0.501 6 3 0 -4.9643355855746 2318620 C1=CC(=CC(=C1)Cl)C=NNC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 2.154 3 2 -4.3056154680632 2318529 C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NNC(=O)NC4=CC=C(C=C4)Cl 1 3.426 5 2 0 -7.33972356403419 2318465 CCCCCCN1CC(=O)C(=C1N)C2=NC3=CC=CC=C3N2 1 3.159 4 1 -4.78399465831178 2318455 C1=CC=C(C=C1)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)F)/C(=O)O 1 4.816 0 3 1.45596359265712 2318451 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl 1 2.614 1 4 -14.7527732650795 2318437 C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.591 2 3 -4.60125428593188 2318428 CCOC(=O)C1=CC(=C(NC1=O)SCC(=O)N)C#N 1 -0.244 3 4 0 -16.4662221408958 2318425 C1C2=CC=CC=C2C(=NS(=O)(=O)C3=CC=CC=C3)N=C4N1C=C(C=C4)Br 1 2.562 3 2 -7.20885517747153 2318417 C1=CC(=C(C=C1C=NNC(=O)CN2C=C(C=CC2=O)C(F)(F)F)Cl)Cl 1 2.818 3 2 -6.33612189759209 2318410 C1=CC(=CC=C1C=NNC(=O)CN2C=C(C=CC2=O)C(F)(F)F)Cl 1 2.154 3 2 -5.4689193922049 2318404 C1=CC=C(C=C1)C=NNC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 1.489 3 2 0 -7.46286189987607 2318394 C1=CC(=C(C=C1Cl)Cl)C=NNC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 2.818 3 2 -3.30485563292101 2318393 COC1=CC=C(C=C1)C=NNC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 1.473 3 3 0 -7.70388429193586 2318350 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NNC(=N2)C(=O)OC 1 1.108 4 6 0 -9.42157503180945 2318347 COC1=C(C=C(C=C1)/C=C/C(=O)ONC2=NCCCCC2)OC 1 2.531 2 4 -11.0220550069631 2318220 CC1=C(N2C=CC=CC2=C1)C(=O)C3=NC(=NC=C3Cl)N4CCOCC4 1 2.909 4 2 -4.75342316908286 2318190 CNC1=NC2=CC=CC=C2N1N=CC3=C(C(=CC=C3)OC)OC 1 3.041 4 2 0.748789799871258 2318166 CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)N3CCCCCC3)N)C#N 1 4.662 5 1 -13.2089008785011 2318144 C1CC(=NC2=CC=CC=C21)NC3=CC=C(C=C3)Br 1 3.861 2 0 -0.760150401961238 2318107 CC1=CC(=C(C#N)C#N)C=C(N1CCN2CCN(CC2)C(=O)C)C 1 0.538 5 1 0 -8.45710709551264 2318102 CC1=NN(C(=C1)OC)C2=CC=C(C=C2)Cl 1 3.111 2 1 2.65000843186151 2318099 CC1=CC=C(C=C1)N2C=CC=C2C(=O)NS(=O)(=O)C3=CC=C(C=C3)C 1 4.329 2 3 -3.95764587007701 2318098 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CN2C 1 2.266 2 3 -6.91603485131611 2318095 CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C)C 1 4.329 2 3 -7.91641271432795 2318094 CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C)C 1 4.175 2 4 -8.26928313296256 2318093 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C 1 3.842 2 3 -7.75658628269803 2318091 CC1=CC=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C 1 1.801 2 3 0 -17.2764348679648 2318083 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN 1 0.811 3 4 0 -11.2749871518777 2318053 CC1=C(C2=NC(=O)C3=CC=CC=C3N2N1)C=O 1 0.503 3 2 0 -3.50967740383737 2318048 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O)OC 1 2.686 3 5 0 -11.159601326362 2318046 CC1=CC(=O)N=C(N1)NN=CC2=C(/C(=C\C3=CC=CC=C3)/CC2)N4CCOCC4 1 2.215 5 2 0 -12.4704714079904 2318039 CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 1.404 3 5 0 -17.0617233539418 2318003 CC1=CC=C(O1)C2=NN(C=C2C=NNC(=O)C3=CC=NC=C3)C4=CC=CC=C4 1 3.246 5 2 0 6.12551386825596 2317998 CC1=CC(=CC(=C1)C2=NOC(=C2)C(C)(C)C3=CC=CC=C3NC)C 1 5.736 2 1 -0.409543800983999 2317994 CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])N)C3=CC=CC=C3 1 3.729 4 2 -1.63722316283813 2317993 C1=CC=C(C(=C1)[N+](=O)[O-])SC2C(=O)NC(=O)NC2=O 1 0.924 3 5 0 -9.95543243782386 2317988 CC1=CC(=NC(=N1)N2C(=C(C=N2)C#N)N)C 1 0.62 6 0 0 -3.86087127400642 2317987 CN(C)C1=CC=C(C=C1)C=NNC(=O)CCCCCNC(=O)C2=CC=CC=C2 1 3.387 4 2 -19.3975108370428 2317975 CC1=NN(C(=C1SC2=CC=C(C=C2)[N+](=O)[O-])N)C3=CC=CC=C3 1 3.729 4 2 0.681510548573042 2317973 C1COCCN1P(=O)(C2=CC=CC=C2)C3=NC4=CC=CC=C4S3 1 2.86 2 2 -2.95295167353643 2317959 CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N 1 3.478 9 0 0 -6.93551336355738 2317949 CC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)NC4=CC=CC=C4 1 3.931 3 2 -6.81661434152292 2317689 C=CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3 1 3.019 5 1 -15.9075568829245 2317626 C1CC(=NC1)NNC(=O)CNC2=CC3=CC=CC=C3C=C2 1 1.291 4 1 0 -7.40888241670215 2317621 CC1=CC(=C(C=C1)NCC(=O)NNC2=NCCC2)C 1 1.356 4 1 0 -10.4774657783485 2317616 CC1=CC=CC=C1C(=O)NNC2=NCCC2 1 1.209 3 1 0 -10.5713643729902 2317564 C1CCC2=NN=C(N2CC1)CC3=NC(=CS3)C4=CC=CC=C4 1 3.597 4 0 -4.44034412958457 2317547 CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)Cl)C)C=NCCO 1 3.806 2 1 -0.793518237450752 2317546 CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)Cl)C)C=NCCCO 1 3.868 2 1 -0.510764625191818 2317506 COC(=O)C1=NC(=NN1)NC(=O)C2=CC=C(C=C2)F 1 1.363 4 3 0 -4.91026200569179 2317461 C1CC(=NCC2=CC=CO2)CC(=O)C1 1 1.338 1 2 0 -3.47118981725379 2317363 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N 1 1.851 2 2 0 -6.78803647083571 2317309 CC(C)(C(=O)OC)ONC(=O)NC1=CC=C(C=C1)Br 1 2.043 2 4 -2.24774416216385 2317308 COC1=C(C=C(C=C1)C2=NN=C3N2CCCCC3)OC 1 2.72 3 2 -7.02108690490169 2317221 C1=COC(=C1)/C=C/C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 3.449 1 4 -1.71776143843134 2317183 COC1=C(C=C(C=C1)NC(=O)CCCC(=O)O)Cl 1 1.899 1 4 0 -13.1454964211973 2317144 C1CCC(CC1)C(=O)NCCOC2=CC=C(C=C2)Cl 1 3.796 1 2 -5.40592186421903 2317140 COC1=CC=C(C=C1)OCCNS(=O)(=O)CC2=CC=CC=C2 1 2.363 1 4 -8.13911340629461 2317132 CCCCOC1=CC=C(C=C1)OCCNS(=O)(=O)N(C)C 1 1.7 2 4 0 -6.90989001299717 2317127 CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Br 1 4.305 1 1 -3.61086580599403 2317063 CCCCOC1=CC=C(C=C1)C2=C(C(=S)NC(=C2C(=O)NC3=CC=CC=C3)C)C#N 1 4.658 3 2 -9.59784958130688 2317062 COC1=CC=CC=C1N2CCN(CC2)C(=O)C(F)F 1 1.792 2 2 0 -3.64067992626214 2316984 CC(=O)N(CC1=CC=C(C=C1)OC)C2=CC=CC=C2C(=O)O 1 2.353 1 4 -6.29597564674231 2316976 C1CC(=O)N(C1=O)CCC2=CC=C(C=C2)S(=O)(=O)N 1 2.3e-002 2 4 0 -11.0360801875724 2316940 CCOC(=O)C1CCN(CC1)S(=O)(=O)C(C2=NC3=CC=CC=C3S2)(F)F 1 3.104 2 4 -5.74888498185005 2316882 C1=CC(=CC=C1C(=O)NCC(=O)O)OC(F)F 1 1.325 1 4 0 -7.97630679240757 2316875 COC1=CC=CC(=C1)C(=O)NN=C/C(=C/C2=CC=CC=C2)/Br 1 3.479 2 2 -8.90050614616275 2316832 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4C(=N3)N 1 1.352 4 3 0 -13.3812296474577 2316806 C1=CC=C2C(=C1)C(=NC2=NC3=CC=C(C=C3)S(=O)(=O)N)N 1 1.253 4 2 0 -2.75452664096959 2316757 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C(/C(=O)C(F)(F)F)\Cl 1 1.641 3 2 0 -10.3540225561283 2316748 C1COCCN1C2=CC=CC=C2N3CC(=O)C(=C3N)C4=CC=CC=C4 1 2.517 3 2 -5.74950332098871 2316733 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC(=O)C4=CC=C(O4)Br 1 3.552 2 4 -3.85258854108739 2316696 C1OC2=C(O1)C=C(C=C2)N3C=NN=N3 1 0.485 4 2 0 -11.8659401992814 2316683 C1CCC(=NCC1)NOC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.563 4 4 0 -8.10372173086166 2316674 CN(C(=O)NC(=O)C1=C(/C(=C/C2=CC=CC=C2)/CC1)N3CCOCC3)S(=O)(=O)C 1 1.514 3 5 0 -5.96217844973388 2316496 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 1.042 3 3 0 -20.0122480053143 2316579 C1=CC(=CC(=C1)S(=O)(=O)N)N2C=NN=N2 1 -0.578 5 2 0 -16.7645827167379 2316503 CCN1C(=O)/C(=C\C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)/SC1=S 1 4.418 4 1 2.61672820904083 2316531 C1CCC2=NN=C(N2CC1)CN(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl 1 4.168 5 1 -8.72259441526356 2316520 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(=O)NCC4=CC=CC=N4 1 4.523 4 1 1.84610184410416 2316430 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=N3)C=O 1 3.04 3 1 8.4514477720988 2316407 C1CC(=NC1)NNC(=O)CNC2=CC=C(C=C2)Br 1 1.131 4 1 0 -9.95347355391656 2316406 CN(C)C1=C2C(=C(C=C1)C=C(C#N)C#N)C=CC=C2N(C)C 1 3.248 4 0 -4.88812902415708 2316385 CCN(CC)P(=O)(C1=C(N(N=C1C)CCC#N)NC(=O)C2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)Br 1 3.863 6 2 0 -6.66827631906433 2316369 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C/C(=O)C3=C(C=C(C=C3)OC)OC 1 1.825 3 4 0 -10.9693905246226 2316362 COC1=C(C=C(C(=C1)C=NNC(=O)CC2=CC=CS2)[N+](=O)[O-])OC 1 2.533 3 5 0 -13.0796985477917 2316284 CC1=NN(C(=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3 1 4.412 3 2 -5.91605309300384 2316277 CC1=NN(C(=C1Br)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.996 3 1 -4.53865830735785 2316232 CC(C)N1CC(=O)C(=C1N)C2=CC=CC=C2 1 1.721 2 1 0 -4.52744911013721 2316223 CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)Cl)CCOC(=O)C3=CC=C(C=C3)Cl 1 4.504 3 3 -12.8151098920848 2316123 C1=CC(=NC=C1Br)N/C=C(/C(=O)C(F)(F)F)\Cl 1 2.49 2 1 -1.61757624070978 2316100 COC(=O)C1=NC(=NN1)NC(=O)C2=CC=C(C=C2)Br 1 1.906 4 3 0 -5.25680008567166 2316086 C1=CC(=CC=C1CC2=CC=C(C=C2)N/C=C/C(=O)C(F)(F)F)N/C=C/C(=O)C(F)(F)F 1 5.059 2 2 -3.63664670569799 2316077 C1=CC=C2C(=C1)C(=O)N(C2=O)CN(C3=CC(=CC=C3)F)C(=O)COC4=C(C=C(C=C4)Cl)Cl 1 4.853 2 4 -4.68298308310656 2316055 CC\1(C2=CC=CC=C2N(/C1=C\C=NNC(=O)CCN3CCN(CC3)C)C)C 1 2.118 5 1 7.97517081719944 2316037 COC1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.161 3 4 0 -8.21818802600792 2316022 C1=CC=NC(=C1)NP(=O)(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br 1 4.803 2 1 -0.143954479323939 2316008 C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=CC=N3 1 0.904 3 2 0 -12.8744478409144 2315991 COC1=CC2=C(C=C1)N3C(=NCCS3(=O)=O)S2 1 1.741 2 3 0 -4.43923890325211 2315975 CCCCP(=O)(C1=CC=CC=N1)C2=CC=CC=N2 1 3.506 2 1 -2.31858175550738 2315948 CC1=C(SC=N1)CCOC(=O)C2=CC=C(C=C2)Cl 1 2.997 1 2 -9.50630621399113 2315922 CC(=O)C(=CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C 1 3.892 2 2 11.4874726133046 2315888 CCN(CC)C1=CC=C(C=C1)C=NCCC2=CC=C(C=C2)S(=O)(=O)N 1 3.319 3 2 -10.5459575118629 2315882 C1C2=CC=CC=C2C(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N1C4=CC=CC=C4 1 4.177 3 3 -8.23493800901842 2315873 CN(C)C1=CC=C(C=C1)N2CN=C3N(C2)C(=O)CS3 1 2.267 4 1 -17.0876024320777 2315851 CCOC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)/C(=O)C 1 3.624 0 5 -3.53048867572691 2315781 CC(=O)NC1=C(C2=C(S1)CCCC2)CN3CCCC3 1 2.654 2 1 -7.22072515937061 2315678 CCCCN(C)C1=C(C(=O)N(N=C1)CC(=O)OC)Cl 1 1.076 3 3 0 -5.42522487615727 2315676 CC1=CC(=NC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.865 3 3 0 -8.82009796631855 2315667 CC(C)(C)C1=CC(=O)C(=CC1=O)N2CCOCC2 1 1.507 1 3 0 -2.43446274761228 2315619 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN2C=NN=C2 1 1.23 4 4 0 -12.4444900359092 2315607 C=CCN1CC(=O)C(=C1N)C2=CC=CC=C2 1 1.612 2 1 0 -7.97294134712724 2315562 C1C(=O)C(=C(N1CCCO)N)C2=CC=CC=C2 1 0.518 2 2 0 -5.16143580559024 2315558 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC 1 2.035 1 4 -12.7758681591413 2315524 CC1=CC=C(O1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)O)C4=CC=CC=C4 1 5.724 3 4 0 -1.4368938185399 2315497 COC1=CC(=C(C=C1S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)OC 1 2.032 2 10 0 -7.34975737575964 2315482 C1=CC=C2C(=C1)C=CC=C2P(=O)(C3=CC=CC4=CC=CC=C43)NC5=CC=CC=N5 1 5.123 2 1 1.80999406840211 2315474 C1=CC2=C(C=CC(=C2)C=NN3C=NN=C3)N=C1 1 1.231 5 0 0 1.63324715333433 2315343 COC1=CC=C(C=C1)NCCC#N 1 1.601 2 1 0 -4.43760255241757 2315252 C1CC2=NN=C(N2C1)C3=CC=NN3 1 0.576 5 0 0 -8.29094784480026 2315232 CC1=NN(C(=C1/C=C\2/C(=O)N(C(=S)S2)CCCCCC(=O)O)Cl)C3=CC=CC=C3 1 4.978 3 3 -9.85586802863626 2315225 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)N3C=NN=N3 1 -0.479 5 3 0 -26.3589831327043 2315224 CN(CC1=CC=CC=C1)C2=C(C(=O)N(N=C2)CC(=O)OC)Cl 1 1.331 3 3 0 -2.50053546596141 2315109 C1=CC2=C3C(=C1)C(=NC3=CC=C2)NN=CC4=CC=C(C=C4)F 1 3.804 3 0 3.77532166977135 2315102 C1=CC=NC(=C1)C=NNC2=NC3=CC=CC4=C3C2=CC=C4 1 2.876 4 0 4.40468885698152 2315099 CN(CC1=CC=CC=C1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.482 2 1 -0.113347553750478 2315089 C1=CC2=C3C(=C1)C(=NC3=CC=C2)NN=CC4=CC=C(C=C4)Cl 1 4.263 3 0 4.88544333489291 2315084 C1=CC2=C3C(=C1)C(=NC3=CC=C2)NN=CC4=CN=CC=C4 1 2.448 4 0 2.98046693584298 2315076 C1=CC=C(C=C1)C=NNC2=NC3=CC=CC4=C3C2=CC=C4 1 3.598 3 0 2.79410660069696 2315072 C1=CC=C(C(=C1)C=NNC2=NC3=CC=CC4=C3C2=CC=C4)Cl 1 4.263 3 0 4.72460322817604 2315069 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3C4=CC=CC=C4CN5C=CC=CC5=N3 1 2.631 4 3 0 -23.3553365051872 2315060 CCOC(=O)C(=NNC1=CC=CC=C1Cl)N2CCN(CC2)C3=CC=CC=C3OC 1 4.066 4 3 0 -1.17779250652149 2315047 C1CC2=C(C1)SC(=C2)C(=O)NCCCN3CCOCC3 1 1.807 2 2 0 -12.5498343155894 2315023 CC1=CC=C(O1)/C=C/C(=O)NC2=NC=CS2 1 1.62 2 2 0 -4.91394764394392 2315011 CCOP(=O)(C(C)(C)NC(=O)C(Cl)(Cl)Cl)OCC 1 1.162 1 4 0 -8.21678452877109 2315010 CCOP(=O)(C(C)(C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OCC 1 0.937 3 8 0 -10.3241185022998 2315003 C1CC=C(C1)C2=C(/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/CC2)N4CCOCC4 1 4.124 2 3 -6.93390092788909 2314998 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC=NC=C2 1 1.128 3 3 0 -11.4873930281207 2314994 C1CC(=O)C(=NNC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)C1 1 0.818 3 5 0 -22.3976066641982 2314993 CC1(CC(=O)C(=NNC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)C1)C 1 1.276 3 5 0 -24.7832084275629 2314975 CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)OC)C(=N)O1 1 3.807 5 2 0 -4.35653048259754 2314966 C1COC(=CO1)C(=O)NN=CC2=CC=CC=C2OC(F)F 1 1.402 2 4 0 -4.76027222799669 2314965 C1COC(=CO1)C(=O)NN=CC2=CC=C(C=C2)OC(F)F 1 1.402 2 4 0 -4.41940390671282 2314953 CC1=CC(=O)C=C(N1C2=C(C=C(C=C2)F)F)C 1 2.995 1 1 0.72471901404205 2314952 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NNC(=N2)C(=O)OC 1 2.558 4 3 0 -3.04400488204573 2314949 CCCCN1CC(=O)C(=C1N)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.797 3 1 -0.873670004302458 2314940 C1=CC(=CC=C1C(=O)O)NN=C/C=C/C2=CC=C(O2)[N+](=O)[O-] 1 2.852 3 5 0 3.60536454195763 2314879 CCCCN1C2=C(C3=NC4=CC=CC=C4N=C31)C(=N)OC(=N2)C 1 3.575 5 1 -9.41553666868788 2314926 CC1=C(C(=CC=C1)OP(=O)(N)N)C 1 1.05 2 2 0 1.99930936414081 2314916 CC(=O)N=C1C(=CC2=C(N1CC3=CC=CC=C3)N=C4C=CC=CN4C2=O)C#N 1 1.498 5 2 0 -16.9500510479913 2314834 COC1=CC(=CC(=C1OC)OC)NC(=O)NN2C=NN=C2 1 9.2e-002 5 4 0 -9.42088730653197 2314843 CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)COC3=CC=CC=C3 1 3.509 2 4 -21.841658948077 2314813 C1=CSC(=N1)NC(=O)/C=C/C2=CC=C(O2)Br 1 2.042 2 2 -6.89856692599415 2314716 CC(C)C(=O)NC1=NNC(=N1)C(=O)OC 1 0.622 4 3 0 -8.15128879063503 2314714 COC(=O)C1=NC(=NN1)NC(=O)C2=CC=C(C=C2)Cl 1 1.822 4 3 0 -3.80014034057022 2314696 C1COC(=CO1)C(=O)NC2=CC=C(C=C2)SC(F)F 1 1.892 1 3 0 -6.27249235943151 2314694 C1COC(=CO1)C(=O)NC2=NC3=CC=CC=C3S2 1 1.154 2 3 0 -3.16706916784851 2314691 COC(=O)C1=NC(=NN1)NC(=O)C2=CC=CC=C2Cl 1 1.822 4 3 0 -5.86721312082787 2314690 CC(C)(C)C(=O)NC1=NNC(=N1)C(=O)OC 1 1.039 4 3 0 -11.2623481965138 2314619 CC(C)(CN1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=CC=CC=C3 1 3.12 2 2 -11.6147477532959 2314594 COC1=CC(=CC(=C1OC)OC)C=NNC(=S)NN=CC2=CC(=C(C(=C2)OC)OC)OC 1 3.707 4 6 0 -7.18940781339896 2314574 CCCN(CCC)CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)Cl 1 3.871 2 2 -5.06654454431857 2314546 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NN=C2C(=O)C3=CC=CC=C3C2=O 1 2.84 3 4 0 -11.016053211806 2314533 CC1=NN2C3=CC=CC=C3C(=NC2=C1C=C(C#N)C#N)N4CCOCC4 1 1.677 6 1 0 -3.76918035096799 2314532 CC1=NN2C3=CC=CC=C3C(=NC2=C1C=C4C(=O)N(C(=O)N(C4=O)C)C)N5CCOCC5 1 0.937 6 4 0 -7.90668198540867 2314531 CC1=CC=CN2C1=NC(=C(C2=O)C=NCC3=CC=CO3)NC4=CC=C(C=C4)SC(F)F 1 4.275 4 2 -9.32084823194825 2314493 CC1=C(N2C=CC=CC2=C1C(=O)C3=CC(=CC=C3)[N+](=O)[O-])CCC#N 1 3.687 3 3 -8.45430528335903 2314491 CC1=C(N2C=CC=CC2=C1C(=O)C3=CC=CC=C3)CCC#N 1 3.792 2 1 -6.00555523618995 2314360 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)OC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 6.036 2 6 0 -6.9234208767673 2314355 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=C(C=C4)N 1 2.146 6 3 0 -4.22709632283629 2314340 CC(=O)N1C2=C(C=C(C=C2)OC)C3=CC=CC=C3S1(=O)=O 1 1.979 1 4 0 -9.64998276596474e-002 2314335 CCOC1=CC=C(C=C1)NC(=O)C2=C3CCCC3=NC4=CC=CC=C42 1 4.197 2 2 -4.90099617096965 2314311 CSC1=NN=CN1N=CC2=CC3=C(C=C2)OCO3 1 1.896 4 2 0 -4.57566164250037 2314297 CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.909 3 6 0 -17.9706336681065 2314281 COC(=O)C1=NC(=NN1)NC(=O)C2=CC=CC=C2 1 1.157 4 3 0 -6.41778659866638 2314268 C1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)OC(F)F)/C#N 1 3.273 2 2 -9.01702677405165 2314264 CN1CCC(CC1)N(C)C(=O)/C(=C/C2=CC=C(C=C2)OC(F)F)/C#N 1 2.467 3 2 -3.05540110943238 2314252 CCOC(=O)CC1=CSC(=N1)NC(=O)/C=C/C2=CC=CO2 1 2.142 2 4 -10.3629293904701 2314240 CCOC(=O)C(=NNC1=C(C=CC(=C1)Cl)Cl)N2CCN(CC2)C 1 3.075 4 2 1.73907060825641 2314215 C1CN(CCC1C(=O)NC2=NC=C(C=C2)Br)S(=O)(=O)C3=CC=CS3 1 2.127 3 3 -12.1788396750248 2314187 COC(=O)C1=NC(=NN1)NC(=O)C2=CC=CC=C2Br 1 1.906 4 3 0 -4.94892731096286 2314144 C1=CC=C(C=C1)CNC2=CC(=O)N3C=CC=CC3=N2 1 1.556 3 1 0 -9.0655006683776 2314126 CP(=O)(C1=NC2=C(S1)CCCC2)NC3=CC=C(C=C3)Cl 1 3.393 2 1 1.26322843165575 2314077 CC1=NN2C3=CC=CC=C3C(=NC2=C1C=O)N4CCCCC4 1 2.48 4 1 -1.04587216892993 2314061 C1=COC(=C1)CNC(=O)C2=CC=C(S2)C(=O)NCC3=CC=CO3 1 2.021 2 4 -9.72320201763694 2314002 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(S3)C(=O)N4CCCC5=CC=CC=C54 1 5.117 2 2 -9.58604131769597 2313950 CN1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)OC(F)F)/C#N 1 2.313 3 2 -6.25999039918289 2313930 C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC4=CC=CC=C4N3 1 4.062 5 1 -16.4711413138275 2313925 CC(=O)N1C(=O)C2=CC=CC3=C2C(=CC=C3)C(=O)N1C(=O)C 1 0.929 2 4 0 -1.25419662196714 2313905 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NN=C2C(=O)CCCC2=O 1 1.828 3 4 0 -16.1134309070253 2313897 COC1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=C(C=C4)Br 1 4.208 3 2 -0.733511283022097 2313870 COC1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=CC=C4 1 3.46 3 2 -1.57336664482268 2313869 CC1=CSC(=N1)C2=C(N(CC2=O)C3=CC=C(C=C3)OC)N 1 1.796 3 2 0 -6.64779755325135 2313868 C[N+]1=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.035 1 1 4.20395052564088 2313845 C1CC1C(=O)NC2=CC=CC=C2C(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4 1 2.605 1 6 0 -18.4271237903616 2313835 CCCCC(=O)NC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3 1 3.426 1 6 0 -23.913600021528 2313814 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CNCC3=CC=CO3 1 3.178 2 2 -4.03934796741283 2313812 CNC1=C(N=C(O1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.926 2 3 -10.9267536407684 2313792 CC\1(C2=CC=CC=C2N(/C1=C/C=NOC)C)C 1 2.583 2 1 11.6412387278335 2313748 CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.803 4 1 -0.388596723137996 2313746 C1C(N=C(C(=O)O1)NNC2=C(C=CC(=C2)Cl)Cl)(CO)CO 1 1.187 3 4 0 3.29621580998347 2313617 CC1(C(=O)N=C(S1)NN=CC2=CC=CO2)C 1 2.142 3 2 -4.91293505648742 2313606 C1=CC(=C(C=C1[N+](=O)[O-])Cl)OCC(=O)NN2C=NN=C2 1 0.627 5 4 0 -7.47117667843612 2313561 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=C(C(=C2)Cl)O)Cl)P(=O)(OC(C)C)OC(C)C 1 5.147 1 6 0 -2.9143461366399 2313555 CN(C)C1=CC=C(C=C1)/C=C/2\CCC/C(=C\C3=CC=CC=C3)/C2=O 1 5.299 1 1 -1.25065003107752 2313503 CCN1CCN(CC1)C=NC2=NC3=C(S2)CCCC3 1 2.031 4 0 2.78465183101408 2313462 CCN(CC)C1=CC=C(C=C1)/C=C/2\CCC(=C2N3CCOCC3)C=NNC(=O)C4=C(OC=C4)C 1 3.6 4 3 0 -9.95120868597362 2313407 C1CCCN(CC1)C(=O)C2=CC=CC=C2NC3=CC=C(C=C3)SC(F)F 1 5.531 2 1 -4.99088384682493 2313402 CC1=C(C(=NN1C2=NC3=CC=CC=C3S2)C)OC4=CC=CC=C4O 1 4.428 3 2 9.1688004829864 2313393 C1CCN(CC1)C(=O)C2=CC=CC=C2NC3=CC=C(C=C3)SC(F)F 1 5.074 2 1 -4.99088384682493 2313384 C1C(=O)C(=C(N1CC2=CC=CO2)N)C3=CC=CC=C3 1 1.761 2 2 0 -4.62342403174657 2313246 CC1=CC(=C(C#N)C2=NC3=CC=CC=C3S2)C=C(N1C4=CC=C(C=C4)F)C 1 5.19 3 0 -0.486659328354681 2313220 CC1=NN(C(=C1)NC(=O)CC(F)(F)F)C2=CC=CC=C2 1 2.707 3 1 -10.0562728096282 2313216 CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C(=O)CCCC3=O 1 3.391 1 2 -5.57485184660457 2313209 CC1=CC(=C(N1C2=CC=CC=C2)C)C=C(C(=O)C)C(=O)C 1 2.885 1 2 -1.05723486051554 2313202 CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C(=O)CC(CC3=O)(C)C 1 3.849 1 2 -8.11332102472621 2313173 C1=CC=C(C(=C1)OP(=O)(N)OC2=CC=CC=C2Cl)Cl 1 3.837 1 3 -1.21797623412597e-002 2313167 CC1=C(C(=CC=C1)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C 1 5.263 1 3 1.2954666157342 2313164 CC1=C(C(=CC=C1)C)OP(=O)(C)N 1 1.564 1 2 0 0.259076773253037 2313160 CC(C)(C)C1=CC=C(C=C1)OP(=O)(C)O 1 2.619 0 3 3.3205996808413 2313146 CC1=CC=CC=C1OP(=O)(N)OC2=CC=CC=C2C 1 3.48 1 3 1.94607155586235e-002 2313145 CP(=O)(NC1=CC=CC=C1F)OC2=CC=CC=C2 1 2.579 1 2 4.24381447511476 2313140 CP(=O)(NC1=C(C=C(C=C1)Cl)Cl)OC2=CC=CC=C2 1 3.702 1 2 7.11608548805779 2313118 CC1=CC=C(C=C1)CNC(=O)NCC2=CC=CC=C2 1 3.022 2 1 -4.31992664750219 2313108 CP(=O)(C(Cl)(Cl)Cl)NC1=CC=CC=C1 1 3.761 1 1 1.47145555986574 2313050 CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])C 1 3.622 3 3 -8.97796987161815 2312992 COC1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=C(C=C4)Cl 1 4.124 3 2 0.723148462079341 2312959 C1CC2=CC=CC=C2N(C1)C(=O)C3=C(N=C4N3C=CS4)Cl 1 3.125 3 1 -9.63177610958838 2312946 CN(C1CCCCC1)C(=O)C2=C(N=C3N2C=CS3)Cl 1 2.876 3 1 -6.62012592063785 2312941 CC(C)C1=CC=C(C=C1)N=C2C3=CC=CC=C3C(=N2)N 1 3.742 3 0 3.61077915243568 2312923 C1=CC=C2C(=C1)C3=CC=CC=C3C2=NN4C=NN=C4 1 2.378 4 0 -0.449739481343656 2312918 CCCCN(C(=O)NC(=O)NC1=NC2=C(S1)C=C(C=C2)OC)S(=O)(=O)C 1 2.444 4 5 0 3.03599986625311 2312917 CC1=C(C(=CC=C1)NC(=O)C2=CC=[N+](C=C2)[O-])C 1 1.592 2 2 0 -7.33571416098186 2312911 COC1=CC=CC=C1C2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5 1 5.629 3 2 -7.77179068826529 2312902 CC1=NC(=CC=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.073 2 3 -4.99133275481417 2312888 CCOC(=O)C(=NNC1=C(C=CC(=C1)Cl)Cl)N2CCOCC2 1 2.805 3 3 -2.58626221638794 2312885 CC1=CC=C(C=C1)NC(=O)CCC(=O)NN=CC2=COC3=C(C2=O)C=C(C=C3)F 1 2.121 3 4 0 -6.54053849937921 2312882 C1=CC=C(C=C1)C2=CSC(=N2)C(=C3SC=CS3)C#N 1 3.406 2 0 -3.39356111650475 2312864 CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3 1 3.393 1 6 0 -26.0101080240267 2312863 CC1(C(=C(OC2=C1C(=O)OC3=CC=CC=C32)N)C#N)C 1 1.77 2 3 0 -5.7920853231174 2312860 CC(C)C(=O)NC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3 1 2.976 1 6 0 -23.9931521141516 2312852 CCOC(=O)/C(=C/C1=C(N=C2C=C(C(=CC2=C1)C)C)Cl)/C#N 1 4.373 2 2 -5.41039278323328 2312811 CCCCN(C(=O)NC(=O)NC1=NC=C(C=C1)C)S(=O)(=O)C 1 1.71 4 4 0 0.265728234606673 2312799 CC(=O)NC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3 1 1.847 1 6 0 -20.3122951501796 2312770 CC1=C(C=C(C(=N1)SCC(=O)OC(C)C)C#N)C(=O)C 1 2.095 2 3 -17.9381123821221 2312762 CP(=O)(C1=NC2=C(S1)CCCC2)NC3=C(C=CC(=C3)Cl)Cl 1 4.058 2 1 1.04043700389255 2312760 CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCOCC3 1 1.756 1 3 0 -7.97272230368686 2312758 COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2CCCCC3 1 2.704 3 3 -7.16522162269656 2312754 CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2OC4=CC=CC=C43 1 2.74 3 3 3.17933982848644 2312712 CC1=CC(=NO1)NC(=O)CON=CC2=CC(=C(C=C2)OC)OC 1 1.438 3 5 0 -15.5396068382664 2312658 C1=CC=NC(=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)N 1 1.849 3 3 0 -13.6788466743049 2312630 CC1=NN(C(=C1)N)C2=CC3=CC=CC=C3C=C2 1 2.625 3 0 2.62599269731909 2312625 COC1=C(C=C(C=C1)NC(=O)CC2=C(C(=C(C(=C2F)F)F)F)F)OC 1 3.644 1 3 -10.5364678028526 2312618 CCC1=C[N+](=CC=C1)C2=NC3=CC=CC=C3N=C2C(=C=[N-])C#N 1 4.437 5 0 -5.67871771974777 2312613 CCC1=CC=[N+](C=C1)C2=NC3=CC=CC=C3N=C2C(=C=[N-])C#N 1 4.437 5 0 -5.07657585098737 2312601 COC1=CC=C(C=C1)CC(=O)C2=CC=CC=C2C(=O)O 1 2.882 0 4 -2.39075509226181 2312594 CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)N 1 4.5 1 1 4.25858686075384 2312558 C1=CC=C(C=C1)/C=C(/C=NNC2=CC=C(C=C2)C(=O)O)\Br 1 3.891 2 2 -4.95020896419807 2312526 CN(CC1=CC=CC=C1)C(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.057 2 3 -11.4577587167206 2312493 CCN(CC)C1=NC=C(C(=N1)C(=O)O)Cl 1 1.534 3 2 0 -5.0396765684497 2312491 C1CCN(C1)C2=NC=C(C(=N2)C(=O)O)Cl 1 1.298 3 2 0 -1.19107623337343 2312489 CCCCN(C)C1=NC=C(C(=N1)C(=O)O)Cl 1 2.165 3 2 -3.61453432530595 2312464 C=CN1C2=C(CCCC2)C=C1P(=S)(N3CCOCC3)N4CCOCC4 1 1.728 3 2 0 -4.7122872590194 2312445 C1=CC(=C[N+](=C1)[O-])C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3 1 1.515 3 5 0 -10.9979160618481 2312392 CC1=CC2=CC(=C(N=C2C=C1C)Cl)C=C(C#N)C#N 1 4.048 3 0 2.11316676751081 2312390 C1=CC=C(C=C1)C(=O)C(=NNC2=CN=CC=C2)C(=O)NC3=CN=CC=C3 1 1.934 5 2 0 -5.59095040160819 2312372 CN1C2=NC=C(N=C2C(=O)N(C1=O)C)NCC3=CC=CC=C3 1 1.574 5 2 0 -9.1842913566607 2312355 CC1=CC2=C(C=C1)N(C(=NC(=O)C3CC3)S2)C 1 3.392 2 1 -8.131457917382 2312348 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5 1 5 4 1 4.23695581614421 2312290 C1=CC=NC(=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N 1 2.725 3 2 -7.21656691536872 2312317 CC1=CC2=C(C=C1)N(C(=NC(=O)C)S2)C 1 2.635 2 1 -6.59264134385066 2312310 CC1=CC=CN2C1=NC(=C(C2=O)C=NCC3=CC=CO3)NC4=CC=C(C=C4)Cl 1 3.576 4 2 -6.62947765640894 2312307 COC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=N2)/C#N 1 2.702 2 4 -13.4783521020369 2312302 COC1=C(C=CC(=C1)C(=O)NN2C=NN=C2)OC(F)F 1 1.022 4 3 0 -8.59778406599926 2312275 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2=NC=CC=N2 1 2.852 4 1 -7.95409049703687 2312223 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2=NC=C(C=C2)Cl 1 4.163 3 1 -4.00814767800089 2312206 CC1=CN=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.294 3 4 0 -22.3119068963985 2312173 CC1=C(N2C=CC=CC2=C1C=NNC(=O)CNC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl 1 5.022 4 2 -8.74179891683168 2312168 C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)NC(=O)/C=C\C4=CC=CO4 1 4.33 2 2 4.48266693347004 2312144 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)NS(=O)(=O)C4=CC=C(C=C4)Cl 1 2.996 5 5 0 -10.3745076555078 2312132 COCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32 1 2.131 2 4 -25.0002887885381 2312128 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NN2C=NN=C2 1 1.728 5 1 0 -7.89576855373486 2312048 C1CCC2=C(C1)N=C(S2)P(=O)(C3=CC=CC=C3)NC4=CC=CC=C4Cl 1 4.97 2 1 -4.1096836213035 2312008 CCCN(CCC)C(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-] 1 3.351 2 3 -7.41450361967223 2311986 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C 1 2.915 2 3 -12.1699171202351 2311880 C1CCN(C1)C(=O)/C=C/C2=CC=CS2 1 2.126 1 1 -6.74005826091041 2311868 C1CCC2=C(C1)C=C3N2C=CP3(=O)C4=CC=CC=C4 1 3.429 1 1 -1.52367663569541 2311860 CCN(CC)C1=CC=C(C=C1)N=CN2CCOCC2 1 1.885 3 1 0 -3.57751531817881 2311854 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.523 3 4 0 -12.7040275244657 2311795 CCOC(=O)C(=NNC1=CC=CC=C1)N2CC2 1 1.607 3 2 0 -1.40538992134565 2311769 C1=CC(=C(C=C1[N+](=O)[O-])C=NN2C=NN=C2)OC(F)F 1 1.744 5 3 0 0.927101938231597 2311765 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)OCC(=O)N2CCC3=CC=CC=C32 1 1.613 2 7 0 -22.65102319268 2311761 C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CC=CS4)N5CCNC(=O)C5 1 3.648 4 1 -16.1426022203544 2311755 CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.335 3 4 0 -22.8843783462555 2311687 C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)N=CC4=C5C=CC=CC5=CC6=CC=CC=C64 1 5.723 3 1 2.96391298430981 2311717 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4N3 1 1.476 4 4 0 -18.3886737727788 2311715 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2 1 1.788 4 3 0 -7.66260886477394 2311712 CCOC1=CC=C(C=C1)C=NNC2=NCCCCC2 1 2.779 3 1 -5.65611659571945 2311706 CC1=C(N2C=CC=CC2=C1)C(=O)C3=CC=C(C=C3)F 1 4.049 1 1 -3.59057681522872 2311705 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.569 4 4 0 -25.2961341822387 2311673 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=NC3=CC=CC=C3N=C2Cl 1 2.52 4 3 0 -8.6403915877093 2311665 CC1=C(SC(=N1)C)C(=O)NN=CC2=CC=CO2 1 1.368 3 2 0 -7.76226717750426 2311632 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)NCC4=CN=CC=C4 1 3.597 4 1 -4.05119959384292 2311628 CC(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2C(=O)O 1 2.369 1 3 -6.86623733939017 2311568 CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])/C=C/N(CC2=CC=CC=C2)C3=CC=CC=C3 1 2.636 4 4 0 -9.80888796070029 2311561 CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)N=C(N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.386 4 3 0 -9.02844425658189 2311530 CC1=C(SC(=N1)C)C(=O)NN=CC2=CC=CC=C2OC 1 1.957 3 2 0 -7.45540311478789 2311529 CC1=C(SC(=N1)C)C(=O)NN=CC2=CC=C(C=C2)OC 1 1.957 3 2 0 -7.83039871128196 2311492 CC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)NC4=CC=C(C=C4)Cl 1 4.595 3 2 -4.66954851555035 2311475 C1=CC=C(C=C1)C2=CC(=O)C=NN2C3=CC=CC=C3 1 3.342 2 1 1.52105900414296 2311460 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCCCN2CCOCC2 1 0.741 3 4 0 -22.4015305390429 2311447 C1COCCN1CCCNC(=O)C2=CC3=CC=CC=C3O2 1 1.521 2 3 0 -4.89052391851401 2311429 CNC1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)O 1 2.027 1 3 -3.17402993407723 2311413 CC1=NN(C(=C1C=NNC(=O)OC(C)(C)C)Cl)C2=CC=CC=C2 1 3.561 4 2 -4.91285611093376 2311408 CC1=CC=C(C=C1)OCC(=O)NN2C=NC3=CC=CC=C32 1 2.706 3 2 -4.60821174586043 2311328 CC1=CC(=C(C#N)C2=NC3=CC=CC=C3S2)C=C(N1C4=C(C=C(C=C4)F)F)C 1 5.395 3 0 -0.165631004280474 2311322 C1=CC=C2C(=C1)NC3=NC=C(C(=O)N23)C(=O)O 1 0.368 3 3 0 -9.5879470885137 2311315 CC1=CC(=C(N1C2=CC=CC=C2F)C)C=NN3CCN(CC3)C 1 2.893 4 0 1.03671214198066 2311309 COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=NCCS3 1 1.651 3 4 0 -20.4665705292564 2311252 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCCNC(=O)C2=CC=NC=C2 1 1.682 3 4 0 -15.9531750473677 2311229 COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=CC=C(C=C3)Cl 1 2.834 2 4 -13.7476825810733 2311189 C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)NN3C=NN=C3 1 2.436 4 0 -4.16955592811643 2311153 CC1=NN(C(=C1)N)C2=NC3=CC=CC=C3S2 1 2.342 4 0 2.98379584379959 2311150 CC1=CSC(=N1)C(=NOC(=O)C2=CC=CO2)C(=O)N 1 0.812 3 4 0 -4.63978792415004 2311084 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl 1 3.402 3 3 -12.7099719063957 2311082 C1=CC=C(C=C1)P(=O)(C2=NC3=CC=CC=C3S2)NC4=NC=CS4 1 3.541 3 1 -1.20273951324222 2311069 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)NC3=NC4=CC=CC=C4S3 1 4.543 2 1 0.473535969652784 2311068 C1=CC=C(C=C1)NC(=S)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 3.5 4 3 0 -5.31650316572688 2311059 C1CC(=NC1)NNC(=O)CNC2=CC=CC=C2 1 0.383 4 1 0 -10.4754666377753 2310942 CCN(CC)C1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=C(C=C3)C 1 4.539 4 0 -0.659492968250945 2310884 CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)Cl)CCC#N 1 2.314 4 1 -11.5785135742428 2310813 CN1C=NC2=C1C=CC(=C2)OC(=O)C3=CC=CC=C3 1 2.983 2 2 -6.53482246078137 2310793 CC1=CC=C(C=C1)NCC2=NN=C3N2CCCCC3 1 2.9 4 0 -10.2764784808959 2310790 C1CCC2=NN=C(N2CC1)CNC3=CC=CC=C3 1 2.413 4 0 -10.4331326192692 2310786 CC1=C(C=CC(=C1O)C(=O)CC2=NC3=CC=CC=C3C=C2)OC(=O)C 1 3.895 1 4 4.87111971131125 2310770 CC1=C(C=C(O1)C(=O)OC)C2=C(OC3=C(C2=O)C=CC(=C3)OC)C 1 2.76 0 6 -5.62309057116115 2310768 C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 1.395 2 5 0 -3.85738414831416 2310767 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=C(N=CC=C3)Cl)C 1 2.992 4 1 -7.64200828148506 2310766 CC1=CSC2=C(C(=O)C3=C(N12)CCC3)C#N 1 1.794 2 1 0 -10.3070077835131 2310760 CC1=C(C=C(O1)C(=O)OC)C2=C(OC3=C(C2=O)C=CC(=C3)OC(C)C)C 1 3.486 0 6 -7.95219528588764 2310759 CCCOC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=C(OC(=C3)C(=O)OC)C 1 3.632 0 6 -6.36493435709469 2310737 C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C(=O)N4C=CC=CC4=N3)C=NNC(=O)N 1 0.821 9 2 0 -22.5887487979027 2310735 CC1=NN(C(=C1)NC(=O)COC2=CC=CC=C2)C3=CC=CC=C3 1 3.083 3 2 -7.96582674874591 2310706 CC1=NN(C(=C1P(=S)(OC)OC)NC(=O)C2=CC=C(C=C2)Cl)CCC#N 1 2.455 4 3 0 -7.67016469605717 2310701 C1=CC=C(C=C1)CNC2=NC=C3C(=N2)C(=O)C(=C4N3C=CC=C4)C#N 1 1.882 5 1 0 -5.86140474925347 2310700 CC(=O)N(CC1=CC=CC=C1)C2=NC=C3C(=N2)C(=O)C(=C4N3C=CC=C4)C#N 1 1.872 5 2 0 -6.52526192573195 2310673 CCOC1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=CC=CC=C3 1 3 2 2 -5.59796350500547 2310667 CC(C)N1CC(=O)C(=C1N)C2=NC3=CC=CC=C3N2 1 1.644 4 1 0 -2.82443534002371 2310654 CCCCN1CC(=O)C(=C1N)C2=NC(=CS2)C3=CC=C(C=C3)Br 1 3.881 3 1 -2.3303297494039 2310651 CC1=CSC(=N1)C2=C(N(CC2=O)CCC3=CC(=C(C=C3)OC)OC)N 1 2.012 3 3 -9.56642083380804 2310632 CC1=CSC(=N1)C2=C(N(CC2=O)CCC3=CC=CC=C3)N 1 2.045 3 1 -5.97015480107446 2310522 COC1=CC=CC=C1NC2(CCCCC2)C#N 1 3.28 2 1 -4.08817209683086 2310500 C1=CC=C(C=C1)C(=O)OC(C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)(C(F)(F)F)C(F)(F)F 1 5.656 1 4 -5.08327169479384 2310450 C1COC2=C(O1)C=CC(=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CS5 1 3.345 4 4 0 -5.57314046870649 2310444 CN1CCN(CC1)CCC(=O)NN=CC2=CC=CC=C2F 1 1.436 4 1 0 -1.32017720444399 2310259 COC1=CC=C(C=C1)C=NOCC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)O 1 3.734 2 5 0 -6.64926849602763 2310255 COC1=CC=C(C=C1)CN(C2=CC=CC=C2C(=O)O)C(=O)CON=CC3=CC=C(C=C3)OC 1 3.718 2 6 0 -6.49235953645318 2310248 C1CCC(=NCC1)NOC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.899 4 4 0 -8.27117983318044 2310247 C1=CC=C(C=C1)CN(C2=CC=CC=C2C(=O)O)C(=O)CON=CC3=CC=CC=C3 1 3.751 2 4 -6.77232051465114 2310245 COC1=CC=C(C=C1)CN(C2=CC=CC=C2C(=O)O)C(=O)CON=CC3=CC=CC=C3 1 3.734 2 5 0 -6.00639740833239 2310234 C1=CC=C(C=C1)CN(C2=CC=CC=C2C(=O)O)C(=O)COC3=CC=CC=C3 1 3.869 1 4 -9.38686326111263 2310232 COC1=CC=C(C=C1)CN(C2=CC=CC=C2C(=O)O)C(=O)COC3=CC=CC=C3 1 3.852 1 5 -8.71157511814716 2310223 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 5.55 2 6 0 -6.08899045259348 2310081 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COC)N 1 1.833 3 7 0 -12.9792120008574 2310070 CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.12 3 5 0 -13.81097778516 2310015 CC1=CC(=C(C#N)C2=NC3=CC=CC=C3S2)C=C(N1C4=CC=CC=C4OC)C 1 4.968 3 1 -3.17875669260374 2309932 C1CCC(=NCC1)NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.99 3 4 0 -9.0679498619858 2309930 COC1=CC=CC(=C1)NC2=NCCCCC2 1 2.362 2 1 -3.49819378034624 2309890 C1=CC(=CC=C1C=NNC(=O)C2=CC=[N+](C=C2)[O-])OC(F)F 1 1.494 3 3 0 -7.11620826878628 2309869 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=[N+](C=C2)[O-])OC 1 0.655 3 4 0 -13.3993018519148 2309833 COC1=CC=C(C=C1)C=NNC(=O)C2=CC=[N+](C=C2)[O-] 1 0.672 3 3 0 -9.52011830233554 2309832 C1=CC(=CC=C1C=NNC(=O)C2=CC=[N+](C=C2)[O-])Br 1 1.437 3 2 0 -8.74181314770602 2309831 C1=CC(=CC=C1C=NNC(=O)C2=CC=[N+](C=C2)[O-])F 1 0.894 3 2 0 -8.39527506772615 2309830 C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)C3=CC=[N+](C=C3)[O-] 1 2.248 3 3 -6.53693317613912 2309802 CCN(CC)CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)Cl 1 2.824 2 2 -4.44528826375154 2309780 C1=CC=C(C=C1)/C=C/C(=O)NC(=O)C2=CC=CC=C2O 1 2.712 1 3 -0.592567818242698 2309691 CCOC(=O)C(=NNC1=CC=CC=C1Cl)N2CCN(CC2)CC3=CC=CC=C3 1 3.994 4 2 0.508118940217517 2309687 CCOC(=O)C(=NNC1=CC=CC=C1Cl)N2CCN(CC2)C 1 2.41 4 2 -0.399399488076782 2309669 C1=CC(=CN=C1)C2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)Br 1 2.446 4 2 -9.26477580400797 2309631 C=CCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC=CC=C4 1 3.826 5 1 -16.9976436470531 2309618 CC1=CC=CC=C1N=C2C3=CC=CC=C3C(=N2)N 1 3.034 3 0 3.45581885180732 2309607 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3CC(=O)C(=C3N)C4=CC=CC=C4 1 3.139 3 4 0 -7.2120388814438 2309599 CCOC(=O)CC1=CSC(=N1)NC(=O)/C=C/C2=CC=C(O2)Br 1 2.71 2 4 -11.5234315631123 2309475 CC1=CC=CN2C1=NC(=C(C2=O)C=O)NC3=CC=C(C=C3)OC 1 1.869 3 3 0 -8.11754137887541 2309467 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CS5 1 2.652 6 3 0 -13.2290176976088 2309461 CC1=C(C=C(C=C1)N2C(=CC(=O)C=C2C)C)[N+](=O)[O-] 1 2.965 2 3 -3.79316862529284 2309433 CCOC(=O)/C=C/1\C(C2=CC=CC=C2N1C)(C)C 1 3.029 1 2 5.76840381571591 2309402 COC1=CC=CC(=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CS4 1 3.543 4 3 0 -1.32492479085743 2309400 COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CS4 1 3.543 4 3 0 -1.97697721055291 2309360 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)/C=C/2\C(C3=CC=CC=C3N2C)(C)C 1 4.043 2 3 -5.00912957604152 2309355 C1COCCN1C2=CC=C(C=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=C(C=CC(=C5)Cl)Cl 1 4.951 5 3 0 0.54781765589756 2309345 C1=CC=C(C=C1)OCC(=O)NN2C=NC3=CC=CC=C32 1 2.22 3 2 -5.26485875484163 2309335 CNC(=S)NN1C=NC2=CC=CC=C21 1 1.933 4 0 0 -6.69193418294998 2309334 CCNC(=S)NN1C=NC2=CC=CC=C21 1 2.281 4 0 -6.86618820751124 2309284 CC(C)C1=NN=C(S1)NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C 1 3.974 4 1 -11.7674504139299 2309281 CC1=CC=C(C=C1)N2CCN(CC2)N=CC3=C(/C(=C\C4=CC=CC=C4)/CC3)N5CCOCC5 1 4.487 4 1 1.16561967284051 2309249 C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=C(C=C2)OC(F)F)/C3=CC=CC=C3 1 5.373 1 2 -5.42199889915506 2309247 C1=CC=C(C=C1)C2=NC(=O)C3=C(N2C4=CC=CC=C4)N=CC=C3 1 3.664 3 1 -2.13187990523611e-004 2309233 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC3=C(C(=C(C(=C3F)F)F)F)F 1 4.621 2 1 -1.2517596953744 2309224 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)C2=C(C=C3N2C=CC=C3)C 1 3.659 2 3 -17.4361545902217 2309203 C1=C(SC(=C1)Br)C(=O)NCCCCNC(=O)C2=CC=C(S2)Br 1 3.579 2 2 -7.87349239613734 2309197 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 0.833 3 7 0 -19.2934030831018 2309195 CC(C)N(C(=O)NC(=O)NC1=CC=CC=N1)S(=O)(=O)C 1 0.621 4 4 0 0.835051424753267 2309192 CC1=CN=C(C=C1)NC(=O)NC(=O)N(C(C)C)S(=O)(=O)C 1 1.107 4 4 0 -1.65333636191409 2309186 CC1=CC(=NC=C1)NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C 1 3.985 3 1 -4.87910162864066 2309163 C1=CSC(=C1)C=NN2C=NNC2=S 1 1.957 4 0 0 -5.53859883718402 2309152 C1=CC=NC(=C1)C=NN2C=NNC2=S 1 1.282 5 0 0 -2.60828092004237 2309128 C1=CC=C2C(=C1)N=C(C(=N2)OCC(F)(F)F)NS(=O)(=O)C3=CC=CS3 1 3.637 3 3 -5.34349875615994 2309113 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)Cl 1 2.539 4 3 0 -15.847801027238 2309090 CCN1C2=C(C=C(C=C2)C=NN3C=NNC3=S)C4=CC=CC=C41 1 4.052 5 0 0.334748922492774 2308981 CCN(CC)CCNC(=O)C1=CC2=CC=CC=C2N=C1Cl 1 2.934 3 1 -3.87335770927138 2308942 CC(C)OP(=O)(NC(=O)C1=CC=CC=C1)O 1 1.323 1 4 0 -6.97072930317763 2308938 CCOC(=O)CCCCNC(=O)NC1=CC=CC=C1 1 2.027 2 3 -16.9167342066717 2308727 C1=CC=C2C=C(C=CC2=C1)NC(=O)CSCCN3C(=O)C4=CC=CC=C4C3=O 1 3.021 2 3 -7.84819991171874 2308680 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(/C(=C\C3=C(C=C(C=C3)Cl)Cl)/CC2)N4CCOCC4 1 4.809 2 5 0 -5.76994389838326 2308619 CCOC(=O)C(=NNC1=CC=CC(=C1)C(F)(F)F)N2CCOCC2 1 2.419 3 3 0.674904466412041 2308610 C1=CC2=NC(=C(C(=O)N2C=C1)C=NNC(=O)C3=CN=CC=C3)Cl 1 0.332 5 2 0 -12.9663070345783 2308588 CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C(C(F)(F)F)(C(F)(F)F)O)N 1 4.384 1 3 -1.22683996137119 2308586 CC(C)(C)P(=O)(C1=CC=NC=C1)N2CCCC2 1 1.212 2 1 0 -2.5490105634438 2308583 CCN1CCN(CC1)C=NC2=NC(=CS2)C 1 0.923 4 0 0 3.88023267490108 2308578 CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C(C(F)(F)F)(C(F)(F)F)O)N 1 4.843 1 3 0.162055369813216 2308544 CC1=C(SC=[N+]1CCCCS(=O)(=O)[O-])CCOC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.9 2 7 0 -9.18485470829334 2308530 CN1C=CC=C1C(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.719 2 3 -5.97646070116656 2308484 CC1=CC=C(C=C1)N2CCN(CC2)N=CC3=C(N(N=C3C)C4=CC=CC=C4)Cl 1 4.647 5 0 5.87118417281964 2308471 C1CC1C2=NC(=C(C(=C2)C3=CC=C(C=C3)F)C#N)SCC(=O)C4=CC=CS4 1 5.612 2 1 -11.9748595701983 2308454 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SC(F)F)F 1 4.183 1 1 -6.63063033342076 2308402 C1CCCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.195 2 3 -18.6559273822956 2308387 CC1=C(SC=[N+]1CCCCS(=O)(=O)[O-])CCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.9 2 7 0 -6.99670833480274 2308367 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN(C=C3)C4=CC=CC=C4 1 3.87 4 3 0 -15.1751723626665 2308336 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2=NN=CS2 1 2.584 4 1 -9.62273240976694 2308333 C1CC2(COC(OC2)C3=CC=C(C=C3)O)C(=O)C4(C1)COC(OC4)C5=CC=C(C=C5)O 1 3.064 0 7 0 1.42722860918231e-002 2308322 CC1=CC=C(O1)P(=O)(C(C)(C)C)OCCN2CCOCC2 1 1.357 1 4 0 -2.2283426953114 2308267 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCCO)N 1 2.91 4 3 0 -11.1666858309354 2308263 CC1=C(C(=O)C(=CC1=O)N2CCOCC2)C 1 1.039 1 3 0 -1.99840070511319 2308240 C1=CC(=CC=C1C2=NN(C=C2C=NNC(=O)C3=CC=NC=C3)CCC#N)F 1 2.313 6 1 0 -4.50768616960915 2308239 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=NNC(=O)C4=CN=CC=C4 1 2.555 6 1 0 2.10871664462137 2308238 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)NC4=CC=CC5=CC=CC=C54 1 5.649 3 1 0.924489170905169 2308236 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)NC4=CC5=CC=CC=C5C=C4 1 5.649 3 1 3.88147083921441 2308234 CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC3=CC=CC=C3O2 1 2.839 2 4 -3.95326356387762 2308215 CC1=CC(=C(C#N)C2=NC3=CC=CC=C3S2)C=C(N1CC4=CC=CO4)C 1 4.077 3 1 -3.32235956904946 2308204 C1=CC=C(C(=C1)C2=CSC(=N2)NC(=O)NC3=CC=C(C=C3)Cl)O 1 3.889 3 2 5.92607196030262 2308203 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C 1 4.543 5 3 0 -12.2921765682365 2308189 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)C 1 2.919 1 4 -7.31973319259511 2308160 C1=CC=C2C(=C1)C=CC=C2C3=CSC(=N3)NC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O 1 5.143 2 4 1.77720591760649 2308136 CC1=C(C=CO1)C(=O)NN=CC2=C(/C(=C\C3=C(C=C(C=C3)Cl)Cl)/CC2)N4CCOCC4 1 4.069 3 3 -0.644572168577697 2308107 COCCNP(=O)(C1=CC=CC=C1)C2=NC3=CC=CC=C3S2 1 2.836 2 2 -4.05057227322553 2308101 CC1=CC=CC=C1NP(=O)(C2=CC=CC=C2)C3=NC4=CC=CC=C4S3 1 5.03 2 1 0.105371199790588 2308094 CC1=C(C=CO1)C(=O)NN=CC2=C(/C(=C\C3=CC=C(C=C3)Cl)/CC2)N4CCOCC4 1 3.405 3 3 -3.17453775551555 2308087 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/CC2 1 4.582 0 7 0 -2.60095691145979 2308073 CC1=CC=C(N1N2C=NC3=C(C2=O)C4=C(S3)CCC4)C 1 2.885 3 1 -13.5590565879193 2308064 CN(C)C(=O)COC1=CC=C(C=C1)OC2=CC=CC=C2 1 2.639 1 3 -2.76371661102962 2308007 CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 4.377 2 2 -0.41083063143687 2307990 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3C4=CC=CC=C4CN5C=CC=CC5=N3 1 1.858 4 4 0 -25.667987740805 2307984 CC1=CC(=C(C#N)C#N)C=C(N1CCC(C)C)C 1 2.762 3 0 -5.48563675474649 2307981 CC1=CC=C(C=C1)C(=O)NC(=S)/C=C\2/C(C3=CC=CC=C3N2C)(C)C 1 4.866 2 1 2.98374982851144 2307979 CC\1(C2=CC=CC=C2N(/C1=C\C(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C 1 4.275 3 3 0.889352041154208 2307977 CCCCCN1C(=CC(=C(C#N)C#N)C=C1C)C 1 2.967 3 0 -3.71563625383946 2307963 CC1=CC(=CC=C1)N=C2C3=CC=CC=C3C(=N2)N 1 3.034 3 0 5.37890949103138 2307957 CCN1C2=C3C(=C(C=C2)NC(=O)C4CCCCC4)C=CC=C3C1=O 1 3.494 2 2 -3.67056094103069 2307954 CC(C)N(C(=O)NC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)S(=O)(=O)C 1 0.811 4 6 0 -11.6261141654304 2307952 CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3CCCCC3 1 2.109 2 3 -5.55278625143388 2307917 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C(=O)NCC3=CC=NC=C3 1 2.53 3 1 -4.17474584812736 2307884 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)COC4=CC=CC=C4F 1 5.038 1 2 -3.77544385272781 2307845 CC1=C(N=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.865 3 3 0 -10.2140481272215 2307836 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)CC3=CC=CC=C3)N4CCOCC4 1 3.789 2 4 -13.9675755303772 2307827 CC1=CC(=NO1)NC(=O)NC2=CC(=C(C(=C2)OC)OC)OC 1 1.612 3 5 0 -16.7317245208793 2307820 CCN(CC)CCNC(=O)NC(C)(C)C1=CC=CC(=C1)C(=C)C 1 3.37 3 1 -9.67007966673408 2307752 C1=C(OC(=C1)[N+](=O)[O-])C(=O)NC2=NC3=C(C=C(C=C3S2)F)F 1 3.065 3 4 0 -0.748782354827415 2307751 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)NC3=CC(=CC=C3)OC)OC 1 3.417 3 4 0 -1.43988236964562 2307744 CC1=CC=CN2C1=NC(=C(C2=O)C=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)N5CCCC5 1 1.958 6 2 0 -17.5285770822599 2307730 C1=CC=C2C(=C1)NC(=C(C#N)C#N)C(=N2)[N+]3=CC=CC(=C3)N=C(C4=CC=C(C=C4)F)[O-] 1 3.616 6 1 0 -7.9806522376173 2307725 COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)NC3=CN=CC=C3)C4=CC=CC=C4 1 3.596 4 2 -0.935925281359933 2307718 C1=CC=C2C(=C1)NC(=C(C#N)C#N)C(=N2)[N+]3=CC=CC(=C3)N=C(C4=CC=CS4)[O-] 1 3.364 6 1 0 -11.3235818178118 2307712 CC1=CC=CC=C1NC2=NC(=C(S2)C(=O)NC3=CN=CC=C3)C4=CC=CC=C4 1 4.098 4 1 -0.801997817678049 2307693 CCC(=O)N=C1C=CN(C=C1)C2=NC3=CC=CC=C3NC2=C(C#N)C#N 1 1.284 6 1 0 -11.2033188093206 2307665 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C3=COC=C3)C)C 1 3.214 1 5 -11.7715004056965 2307658 CC1=C(C(=CC=C1)C)OCC(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N 1 5.857 2 3 -5.4784967540789 2307657 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)N(C)C)C 1 4.005 3 3 -9.75138015072305 2307622 CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=C(C=CS2)C#N)Cl 1 2.786 3 3 -18.5572778656209 2307606 CC1=CC(=C2C(=C1)C=CC=N2)CSC3=NC(=O)C=C(N3)C 1 3.224 3 1 -13.4325217895955 2307600 COCCNC(=O)COC1=CC=CC(=C1)OC2=CC=CC=C2 1 2.302 1 4 -9.93115179386973 2307573 CC1=CC=CC(=C1)C(=O)N(CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4OC 1 3.953 2 4 -9.69410845330539 2307566 C1=CC=C(C=C1)C2=CC(=O)C=NN2C3=C(C=C(C=C3)Cl)Cl 1 4.67 2 1 5.70586100130226 2307517 C1=CC=C(C(=C1)[N+](=O)[O-])SC2=C(N=C(NC2=O)N)O 1 1.199 4 4 0 -8.8999401625094 2307501 CC1=C(N2C=CC=CC2=C1)C(=O)NC3=CC=CC=C3 1 3.224 2 1 -5.52530370049409 2307464 COP(=O)(CC(=O)C1=CC=CC=C1)CC(=O)C2=CC=CC=C2 1 2.161 0 4 -2.70102160098084 2307461 C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=C(C=C3)NC=O 1 3.979 1 5 -2.02550515409717 2307417 CCOC(=O)N(C)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-] 1 1.617 2 6 0 -10.0320865262677 2307412 CC1=NC2=C(S1)C=C(C=C2)P(=O)(O)O 1 1.338 1 3 0 -2.37625432720379 2307406 CCP(=S)(CC)C1=CC=C(C=C1)N(C)C 1 3.583 1 0 -3.7246956475315 2307384 CCOP(=S)(C1=CC=C(C=C1)N(C)C)OCC 1 2.83 1 2 -4.81370891187943 2307340 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=NNC(=O)C4=CC=C(C=C4)F 1 3.911 5 1 4.27805114274677 2307379 CCNC1=CC=C(C=C1)P(=S)(N(C)C)N(C)C 1 1.618 3 0 0 -4.57944957012647 2307376 CC\1(C2=CC=CC=C2N(/C1=C\C=NO)C)C 1 2.544 2 1 13.1333887048496 2307374 CN(C)C1=CC=C(C=C1)P(=S)(N(C)C)N(C)C 1 1.623 3 0 0 -3.50639634432435 2307367 CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)C(=O)CCl 1 3.553 3 1 -6.1645642618549 2307365 CC1=CN=NN1C2=CC=C(C=C2)C(=O)CCl 1 2.007 3 1 -4.64076492980118 2307325 C1=CC=C(C=C1)C(=O)NN=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 1 3.706 5 1 2.47749508772392 2307293 C=CCNC(=O)C1=CC=NC=C1 1 0.504 2 1 0 -11.6499177804673 2307288 C1COC2=C(O1)C=CC(=C2)C=NN3C=NN=C3 1 0.83 4 2 0 -2.33467667280239 2307281 CC1=C(C(=O)NC(=O)N1)SC2=CC=CC=C2[N+](=O)[O-] 1 1.219 3 4 0 -13.6098432214318 2307277 CCN1CCN(CC1)SC2=CC=CC=C2[N+](=O)[O-] 1 2.286 3 2 -3.07468619179684 2307270 COC1=CC=C(C2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)F)F 1 3.917 1 2 -4.44677767442985 2307267 CC1(CC(=O)C(=CC2=CN(C3=CC=CC=C32)C)C(=O)C1)C 1 3.181 1 2 -4.01489528835085 2307261 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=NNC(=S)N 1 2.822 6 0 4.86748414705604 2307157 CC1=CN=C(S1)NC(=O)C2=CC=CS2 1 1.71 2 1 0 -5.29437325379379 2307119 C1CC1C2=NC(=C(C(=C2)C3=CC=CC=C3F)C#N)SCC(=O)C4=CC=CS4 1 5.612 2 1 -13.7107752389437 2307096 COC1=CC=CC=C1NCCC#N 1 1.601 2 1 0 -5.27625291396739 2307090 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O 1 2.096 2 7 0 -19.7986298151013 2307021 C1CCC(=NCC1)NOC(=O)C2=CC=C(C=C2)Cl 1 2.76 2 2 -5.15155338404175 2306986 COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(S3)Br 1 3.745 2 2 -3.18104298711579 2306962 C1C(=CN(C=C1C#N)CC2=CC=CC=C2)C=NNC3=CC=CC=C3 1 3.359 4 0 -0.362028709103184 2306948 CC1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C)N 1 2.33 3 4 0 1.11786951594474 2306931 CSC1=NC=C(C(=N1)C(=O)NC2=CC=CC3=CC=CC=C32)Cl 1 3.9 3 1 -6.7932479418101 2306921 CC1=CC(=C(C=C1)NC(=O)N2CCOCC2)C 1 1.812 2 2 0 -9.50757601078571 2306918 CCOC(=O)NC1=CC(=C(C=C1)OC)[N+](=O)[O-] 1 1.82 2 5 0 -7.26246474400145 2306902 CCS(=O)(=O)N=C(C1=CC=CC=C1)N 1 0.37 2 2 0 -3.16805303244728 2306849 CCN1C(=NC2=C1C=CC(=C2)C(=O)OC(C(C(F)F)(F)F)C(C(F)F)(F)F)C 1 4.054 2 2 -4.5999841677337 2306768 COC1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=CC=C2 1 3.257 3 2 -6.80408341775268 2306765 CCCC1=CC=C(C=C1)OCCNC(=O)C 1 2.404 1 2 -4.51735459679821 2306731 CCC(=O)C1=CC=C(C=C1)OCC(=O)O 1 1.701 0 4 0 -9.24777126920229 2306709 CN(C)C1=CC=C(C=C1)C=NNC(=S)NCCCOC 1 2.325 4 1 -14.0394294218325 2306705 CC(=O)NC1=NC2=C(S1)C=C(C=C2)OC 1 1.559 2 2 0 -2.44316346280847 2306656 CC1=C(C(=CC=C1)C)OP(=O)(N)OCC(F)(F)F 1 2.724 1 3 -2.24942900609284 2306641 C1CC2=C(C1)N(C(=O)NC2=O)CC3=CC=CC=C3 1 1.89 2 2 0 -8.9056610108561 2306612 CC1=CC(=O)N=C2C1=C(NN2C3=CC=CC=C3)C 1 1.766 3 1 0 -5.91419843715613 2306588 CC1=CC(=NC(=N1)NC(=O)NC2=CC(=CC=C2)Cl)Cl 1 3.085 4 1 -4.34106654291104 2306568 CC1=CC(=NC(=N1)NC(=S)NC2=CC=CC=C2)C 1 3.201 4 0 -6.68109660614271 2306549 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3 1 2.389 1 3 -9.42119894036434 2306529 C(C#N)SC1=NN=C(S1)SCC#N 1 1.39 4 0 0 -9.98379084795197 2306528 C1COCCN1CCCNC(=O)C2=CC=CC=C2N 1 0.18 3 2 0 -9.73309425346321 2306507 C1=CC(=CC(=C1)Br)C=NNC(=O)C2=CC=C(C=C2)Br 1 4.18 2 1 -2.82158065098112 2306483 COC1=CC=C(C=C1)OP(=O)(C)NC2=CC=C(C=C2)Br 1 3.106 1 3 5.91660101042117 2306465 COC1=CC=CC2=C1C(=CC=C2)C=NN3C=NN=C3 1 1.937 4 1 0 2.8479980464965 2306449 CC1=CC=C(O1)C=NNC(=O)C2=CC3=C(C=C2)OCO3 1 1.992 2 4 0 -7.31570177531189 2306436 C1CCC2=C(C1)N=C(S2)NC(=O)COC3=CC=CC=C3 1 2.837 2 2 -8.28214614166572 2306367 CCN(C1=CC=CC=C1)C2(C(=O)C3=CC=CC=C3C2=O)O 1 3.088 1 3 -1.77339215067075 2306374 C1=CC2=C(C(=C1)SCC(=O)NCC3=CC=CO3)N=CC=C2 1 2.383 2 2 -14.393006743684 2306420 C1=CC(=CC=C1NC(=O)CC(=O)NC2=CC=C(C=C2)Br)Br 1 3.412 2 2 -2.82376391365868 2306406 C1OC2=C(O1)C=C(C=C2)C=NNS(=O)(=O)C3=CC=CC=C3 1 2.154 2 4 -3.24267163263285 2306393 CCC1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC=CS2)C 1 4.559 2 1 -14.040346874879 2306385 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=NC=C2 1 1.414 2 4 0 -8.35470466929314 2306315 COC1=CC=C(C=C1)C(=O)CNC2=CC3=CC=CC=C3C=C2 1 3.786 1 2 -1.68569362135305 2306311 CP(=O)(NC1=CC=C(C=C1)SC(F)(F)F)OC2=CC=CC=C2 1 5.052 1 2 9.32736268270463 2306298 CC1=CC=C(O1)C=NNC(=O)C(=O)NN=CC2=CC=C(O2)C 1 1.099 4 4 0 -4.86700148598928 2306296 CC1=CC=CC=C1C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2N 1 3.657 3 1 -11.9803121459655 2306235 CC1=CC(=C(C=C1)O)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 5.228 0 2 1.67016827823701 2306282 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NC=NN3 1 2.828 4 1 -7.69689394581987 2306217 C1CCC2=C(C1)C3=C(CCCC3)NC2=O 1 2.678 1 1 -9.45505513662297 2306153 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4N 1 3.826 3 1 2.39806935585681 2306173 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=NC=CS2 1 2.241 3 4 0 -13.4168119796234 2306133 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCCCCC4 1 2.896 5 3 0 -8.48396462552274 2306089 CC\1(C2=CC=CC=C2N(/C1=C\P(=O)(N(C)C)N(C)C)C)C 1 1.031 3 1 0 6.78204736076504 2306087 CN(C)C(=S)NC1=CC2=CC=CC=C2C=C1 1 3.956 2 0 -2.83029214937489 2306058 C1OC2=C(O1)C=C(C=C2)C=NNS(=O)(=O)C3=CC=C(C=C3)Br 1 2.902 2 4 -1.98132304791131 2305968 C1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)C(=O)NC4=CC=CC=C4C(=O)O 1 3.443 3 7 0 -12.329603935419 2305961 C1=CC(=CC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O 1 1.918 2 10 0 -8.50022934462288 2305909 C1=CC=NC(=C1)NC(=S)NC(=O)C2=CC=CO2 1 2.549 3 2 -6.74592246730084 2305899 CC1=C(C(=O)N(C(=O)N1C)C)C=NNC(=O)C2=C(C=CC(=C2)Br)O 1 1.126 4 4 0 -4.99758743038529 2305793 C1=CC=C(C=C1)CCNC(=S)NN 1 1.793 3 0 0 -6.55761040056856 2305792 CCOP(=O)(C1=CC=CC=C1)C(=C(Cl)Cl)NC(=O)C2=CC=CC=C2Cl 1 4.53 1 3 -8.80363345521002 2305705 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(=O)O 1 4.377 2 3 -8.06896912052128 2305708 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NCC3=CC=CO3 1 1.591 1 4 0 -10.8665924453157 2305695 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.051 4 6 0 -16.8582312405586 2305693 CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCl 1 2.038 3 3 -8.98567045319867 2305652 CC1=NC=C(C(=N1)N)COC 1 -0.397 3 1 0 -2.23930762637746 2305621 CCCCOC1=CC=C(C=C1)OCCNC(=O)C2=CC=CO2 1 3.377 1 4 -8.21487558601045 2305609 CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C(=O)C(=O)O 1 3.841 1 3 -3.08985932222604 2305594 CC1=CC=[N+](C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=CC=C4 1 4.631 4 2 -4.88076133741516 2305535 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3F 1 1.913 3 2 0 -16.88441459174 2305465 C\1C2=CC=CC=C2C(=O)/C1=C/C3=CC=CS3 1 3.76 0 1 0.769690248488817 2305454 C1/C(=C\C2=CC=CS2)/C(=O)C3=CC=CC=C3O1 1 3.352 0 2 1.14583387900562 2305429 CCOC(=O)N=S(=O)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] 1 4.181 2 6 0 -6.22665036549847 2305418 C1=CC=C(C=C1)C(=C(C#N)C#N)NC2=CC=CC=C2 1 3.105 3 0 -4.22936851224888 2305404 CC(C)(C)C(=O)NC(=C(Cl)Cl)P(=O)(OC)OC 1 1.668 1 4 0 -9.59683412521872 2305384 CC1=CC=C(C=C1)OP(=O)(NC2=CC=CC(=C2)C)OC3=CC=C(C=C3)C 1 5.749 1 3 1.57677482078443 2305383 COC1=CC=CC(=C1)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 1 4.274 1 4 -0.678471221223661 2305351 CC1=C(C(=C2N1C=CC=C2)P(=O)(N3CCOCC3)N4CCOCC4)C5=CC=CC=C5 1 1.433 3 3 0 -1.96991521038326 2305347 CC\1(C2=CC=CC=C2N(/C1=C\C=C(C#N)C#N)C)C 1 3.01 3 0 8.77078870784095 2305346 CC\1(C2=CC=CC=C2N(/C1=C/C=C(C#N)C#N)C)C 1 3.01 3 0 8.77078870784095 2305336 CC(C)OC(=NS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC=CC=C2 1 4.488 1 3 -6.23120571610537 2305334 C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)SC3=CC=CC=C3 1 5.896 1 2 -1.37565569798426 2305333 CC1=CC=C(C=C1)SC(=NS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 6.382 1 2 -0.1594590106199 2305303 C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.601 2 4 -10.1570341111511 2305302 C1=CC=C(C=C1)C(=S)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.752 1 2 -1.72677350952971 2305296 C1=CC=C(C=C1)C(=NCCC#N)NS(=O)(=O)C2=CC=CC=C2 1 2.428 3 2 -11.0477291462031 2305287 CP(=O)(NC1=CC(=CC=C1)Br)OC2=CC=CC=C2 1 3.122 1 2 6.23535289657163 2305284 CP(=O)(NC1=CC=CC=C1Br)OC2=CC=CC=C2 1 3.122 1 2 4.89352820000893 2305273 CC1=CC(=C(C=C1)C)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 1 5.263 1 3 9.1317354989132e-002 2305270 COC1=CC=CC(=C1)NP(=O)(OC2=CC=CC=C2Cl)OC3=CC=CC=C3Cl 1 5.603 1 4 -0.138702242438407 2305264 C1=CC=C(C=C1)OP(=O)(NC2=CC(=CC=C2)Cl)OC3=CC=CC=C3 1 4.955 1 3 2.31698888933832 2305239 CC1=CC(=CC=C1)NC(=S)NC(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 5.664 3 2 -11.3958819537196 2305213 C1=CC=C(C=C1)NP(=O)(NC2=CC=CC=C2)OC3=CC=CC=C3 1 3.643 2 2 0.948374976344227 2305212 CC1=CC=C(C=C1)NP(=O)(NC2=CC=C(C=C2)C)OC3=CC=CC=C3 1 4.615 2 2 1.39806057676582 2305211 COC1=CC=C(C=C1)NP(=O)(NC2=CC=C(C=C2)OC)OC3=CC=CC=C3 1 3.61 2 4 0.965502352903446 2305185 CCCCOC(=O)C1=NC(=C(C(=C1Cl)N)Cl)Cl 1 3.747 2 2 -3.28191416777293 2305139 C1=CC=C(C=C1)C(=O)CP(=O)(CC(=O)C2=CC=CC=C2)O 1 2.122 0 4 -3.07418435684615 2305115 C1C2CC3CC1CC(C2)(C3)P(=O)(O)O 1 1.56 0 3 0 -0.150327735718948 2305104 CC1=CC(=CC(=C1NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C)O 1 3.956 1 3 1.35133078740017 2305102 C1=CC2=C(C=CN=C2C=C1Cl)NNC(=S)NC3=C(C=C(C=C3)Cl)Cl 1 6.219 4 0 -1.0902641799628 2305048 CC(=O)NC1=C(C(=C(O1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C#N 1 3.353 2 4 -2.36461845429396 2305047 C1=CC=C2C(=C1)N=C(O2)SCC(=O)NC3=CC=C(C=C3)Cl 1 3.739 2 2 -5.04474328281793 2305037 CCOC1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=C(C=C2)OCC 1 2.58 2 4 -4.36829221999623 2305032 CC1=C(C(=NN1)C)C2=NC3=CC=CC=C3N2 1 2.142 4 0 3.63240521752429 2305028 C1=CC=NC(=C1)NC(=O)C(C(C(C(C(=O)NC2=CC=CC=N2)(F)F)(F)F)(F)F)(F)F 1 2.624 4 2 -1.28397358083205 2305026 C1=CC(=CC(=C1)NC(=O)COCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F 1 3.207 2 3 -0.775832432988812 2305017 CC(C)(C)P(=O)(N1CCOCC1)N2CCOCC2 1 -0.708 2 3 0 -3.73952411450088 2305007 C1=CC=C(C=C1)C(=O)CNC(=S)NC(=O)C2=CC=CC=C2 1 3.167 2 2 -10.6007169201255 2304949 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)C3=CC=CC=C3Cl 1 3.517 2 3 -12.8784713116583 2304945 C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)Cl)N 1 3.333 2 0 4.96441262316249 2304941 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.17 2 4 -8.99179370870191 2304940 CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.536 1 3 -3.91260397431779 2304939 CCOC(=O)C1=C(OC(=N1)C2=CC=CC=C2)N(C)C 1 2.571 2 3 1.22876765448217 2304936 CCC1=NC(=C(O1)N2CCCCC2)C#N 1 2.166 3 1 -8.02097426959572 2304920 CCOP(=O)(C1=C(OC(=N1)C2=CC=CC=C2Cl)N3CCOCC3)OCC 1 2.769 2 5 0 0.897822621493083 2304848 CC1=NN=C(S1)NC(=O)CCN2C(=O)/C(=C\C3=CC=CC=C3)/SC2=S 1 2.666 4 2 -19.6995230444702 2304844 CC1=CC=C(C=C1)S(=O)(=O)NC(=NC2CCCCC2)C3=CC=CC=C3 1 4.794 2 2 -5.70638235935397 2304842 C1CCC(CC1)N=C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 4.972 2 2 -3.88438366876715 2304813 C1=CC=C(C(=C1)C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC=CC=C3Br)O 1 5.845 3 4 0 2.89469683371952 2304812 C1=CC=C(C=C1)C(=O)ONC2=CC=C(C=C2)N=O 1 3.344 2 3 -1.47984585382624 2304811 CC1=CC(=O)C=C(C1=NOC(=O)/C=C\C2=CC=CC=C2)C 1 3.603 1 3 2.63502378334645 2304735 C1CCN(CC1)CCCCOC2=CC=CC=C2Br 1 4.26 1 1 3.47024420934328 2304715 CCOC(=O)C(CCCOC1=CC=C(C=C1)C)C(=O)OCC 1 3.561 0 5 -5.60366667321606 2304711 CC(C)SCCCOC1=CC=C(C=C1)C(C)(C)C 1 4.616 0 1 2.08779737880718 2304658 C1=CC=C2C(=C1)C=CC=C2NC(=O)CCCC(=O)OCC(=C(Cl)Cl)Cl 1 4.112 1 3 -14.0038951968559 2304667 C#CCOC(=O)CCC(=O)NCCC1=CC=CC=C1 1 2.541 1 3 -19.7812412925151 2304675 CC1=CC(=C(C(=C1)C)NC(=O)C2=CC(=C(C=C2)OC)OC)C 1 4.04 1 3 -9.30561379151312 2304653 CCCNC(=O)C1=CC=CC=C1C(=O)NCCC 1 1.991 2 2 0 -9.19969093144269 2304636 CP(=O)(COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2 1 3.22 0 5 -3.38507938179767 2304627 CCCCOCP(=O)(CC)COCCCC 1 2.956 0 3 -3.96384020290757 2304625 CCCCP(=O)(CCCC)C1=CC=CC=C1C(=O)O 1 4.111 0 3 -5.15934035990559 2304623 CCCCP(=O)(CCCC)CC1=CC=CC=C1O 1 4.246 0 2 1.17084126095411 2304617 CCOP(=S)(OCC)SCOC(=O)NCC(=O)OC 1 1.515 1 6 0 -12.6177934964976 2304584 CCCN1C/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/C1 1 4.568 3 5 0 -1.48594688023492 2304541 C1=CC=C(C=C1)CCC2=NC(C3=C(N2)N(C(=O)NC3=O)CC4=CC=CO4)(C(F)(F)F)C(F)(F)F 1 3.79 4 3 0 -4.15342159223921 2304536 CCCCC(=O)NC(=S)NNC(=O)C1=C(C=C(C=C1)Cl)Cl 1 3.917 3 2 -7.43356620921342 2304534 CC(=O)OCC1=NC2=CC=CC=C2S1 1 1.881 1 2 0 -1.16361404934727 2304531 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC3=CC=CC=C3C2)C4=CC(=C(C=C4)Cl)Cl 1 5.262 2 3 -15.8480556169298 2304526 CCCOC1=C(C=C(C(=C1)C)S(=O)(=O)NCCOC)C 1 2.438 1 4 -5.47126415257539 2304505 COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NCCS2)C(=O)OC 1 2.206 2 5 0 -18.7167420236893 2304502 COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCCC3 1 2.473 2 3 -8.78223243602999 2304461 COC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=NN=CS3 1 1.306 5 3 0 -14.1249103528819 2304433 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3 1 3.892 2 2 -10.9645414641466 2304431 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)N3CCOCC3 1 0.99 2 5 0 -17.1688468378415 2304404 CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)C3=CC=C(C=C3)NC(=O)C 1 4.445 2 2 -4.20501994127147 2304387 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)CCC2=CC=CC=C2 1 2.612 3 3 -19.5426389041164 2304380 COC1=CC=CC(=C1)C(=O)CN(C(=O)C2=C(C=C(C=C2)Cl)Cl)N3C(=O)C4=CC=CC=C4C3=O 1 4.47 2 5 0 -1.27320576964186 2304379 C1CCC(CC1)C2=NC(C3=C(N2)N(C(=O)NC3=O)CC4=CC=CO4)(C(F)(F)F)C(F)(F)F 1 3.761 4 3 0 -2.88049788469145 2304372 CC1=CC=C(C=C1)CSCCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 2.632 2 3 -12.3467613037016 2304352 CC1=CC=CC(=C1OC)C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3 1 3.598 2 3 -4.60663042264721 2304343 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)N2CCC3=CC=CC=C3C2 1 2.542 2 3 -12.0995191731411 2304340 CC(C)CC1=NC(C2=C(N1)N(C(=O)NC2=O)CC(C)C)(C(F)(F)F)C(F)(F)F 1 3.436 4 2 -2.95937649394089 2304338 CS(=O)(=O)N(CC(=O)NC1=CC2=C(C=C1)OCCO2)C3=CC4=C(C=C3)OCO4 1 1.137 2 7 0 -17.4673493152271 2304326 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.825 3 4 0 2.16315380520705 2304324 COCCCNC(=O)C1=CC=CC=C1C(F)(F)F 1 1.911 1 2 0 -10.2159385791781 2304323 CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=CC=C2OCC3=CC=CC=C3)/C#N 1 5.036 1 3 -6.98901075554664 2304322 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.946 2 7 0 -19.5712150453704 2304314 CC1=C(C(=NO1)C)C(=O)NC2=C(C=C(C=C2)F)F 1 1.907 2 2 0 -9.0793127730965 2304308 CC1=C(C(=NO1)C)C(=O)NCC2=CC=CC=C2 1 1.503 2 2 0 -12.5351263916722 2304303 CC1=C(C(=NO1)C)C(=O)NC2=CC=C(C=C2)F 1 1.702 2 2 0 -8.76781318056647 2304297 CCN1C(=NN=C1SCCOC2=CC=C(C=C2)OC)CC(=O)NC3=CC(=C(C=C3)C)Cl 1 4.824 4 3 0 -12.6536603501338 2304284 CCOC(=O)C1=CN=C(NC1=O)C(C)(C)C 1 0.963 2 3 0 -6.9781043758342 2304231 C1COCCN1C(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 0.742 4 2 0 -4.90032424204371 2304211 CCOC(=O)NC(=O)C(=NNC1=CC=C(C=C1)F)C#N 1 2.115 4 3 0 -2.5756201301683 2304197 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2C(=O)OC 1 1.908 2 6 0 -16.6058164360671 2304193 C1CCC(CC1)NC(=O)CSC2=NNC(=N2)N 1 1.365 5 1 0 -11.2690802200333 2304191 CC1=CC(=CC(=C1)OCC2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Br)C 1 5.024 2 3 -11.8972450104038 2304153 COC1=CC=C(C=C1)CCNC(=O)CN(C2CCCCC2)S(=O)(=O)C 1 2.176 2 4 -14.2221942163449 2304144 CC1=CC(=C(C=C1)C)NC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3 1 4.991 1 2 -6.74527276349192 2304143 CC1=CC(=C(C(=C1)C)NC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)C 1 5.477 1 2 -5.20710702185023 2304117 C1CCC(=NCC1)NNC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.372 4 0 2.98731378808567 2304109 COC1=CC=C(C=C1)C2=NN=C3N2CCCCC3 1 2.737 3 1 -3.12454134383599 2304059 CC1=C(SC(=N1)NC(=O)C)C(C)C 1 1.505 2 1 0 -4.13396128550571 2304055 CC1=C(SC(=N1)NC)C(C)(C)C 1 2.137 2 0 -2.46386895266068 2304054 CC1=C(SC(=NC(=O)C)N1C)C(C)(C)C 1 2.19 2 1 -6.60010124094451 2303987 C1=CC=C(C=C1)CP(=O)(CCCO)CC2=CC=CC=C2 1 2.937 0 2 -0.430823956899998 2303967 C1CCC(C1)NC(=O)CSC2=CC=CC=N2 1 2.222 2 1 -12.9757410905221 2303950 CC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)OC)C(C2=O)(C)C 1 3.823 1 3 -2.50524618750159 2303947 C1=CC=C(C=C1)C2=C(C(=NC(=N2)C3=CC=CC=C3)N)C#N 1 3.289 4 0 3.131953164472 2303899 CC\1(C2=CC=CC=C2N(/C1=C\C=NNC(=O)C3=CC=NC=C3)C)C 1 2.42 4 1 5.31732279342186 2303897 C1=CC2=C(C(=C1)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N=CC=C2 1 3.923 3 4 0 -1.7865022155483 2303894 CC1=NC(=O)C=C(N1C2=CC=CC=C2)C3=CC=CC=C3 1 2.783 2 1 -2.8236122279433 2303882 CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)N(C)C 1 1.675 4 3 0 -9.53795598451397 2303881 CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=CC=C2 1 1.513 3 3 0 -7.04861342298567 2303880 COC(=O)C1(CCCC1)S(=O)(=O)C2(CCCC2)C(=O)OC 1 2.136 0 6 -2.3296720331209 2303859 C1=CC=C(C=C1)COC2=CC=CC=C2C=NNC(=O)C3=CN=CC=C3 1 3.099 3 2 -6.34589169438347 2303849 COC1=CC=CC=C1N2CCN(CC2)CC3=C4C=CC=NC4=C(C=C3)O 1 3.46 3 2 8.34445124553636 2303842 COC1=CC=C(C=C1)C2=C(C(=NN2)C3=CC=CC=C3)C4=NC5=CC=CC=C5N4 1 5.454 4 1 5.80257898259986 2303787 C1COCCN1CCCNC(=S)NC(=O)C2=CC=CO2 1 1.195 3 3 0 -12.3467852221042 2303777 C1=CC=C(C=C1)SCC(=O)NC2=NC=CS2 1 2.005 2 1 -7.52653021644483 2303772 C1=CC2=C(C=C1[N+](=O)[O-])N=NN2O 1 -0.888 4 3 0 -1.67710415414313 2303764 CC1=C(C=C(C(=C1)C(=O)NN)Cl)Cl 1 2.155 2 1 -0.786257045092145 2303749 C1=CC=C(C=C1)C=NNC(=O)CN2C=NC3=CC=CC=C32 1 2.256 4 1 -10.3122554827897 2303746 CC1=C(C(=O)N=C2C=CC=CC2=N1)NNC3=CC=CC=C3 1 2.103 4 1 -4.12298692776553 2303737 CCN(CC)C(=O)CCNS(=O)(=O)C1=CC=C(C=C1)C 1 1.438 2 3 0 -15.5976662214146 2303676 C1=CC=C2C(=C1)C=C(O2)C3=CSC(=N3)N 1 2.622 2 1 11.1243155749903 2303647 C1=CC=C(C=C1)C2=CC(=NC(=N2)NN)C3=CC=CC=C3 1 3.104 4 0 5.03445180073179 2303641 COC1=CC=C(C=C1)CNC(=O)C2=CC=NC=C2 1 1.454 2 2 0 -8.15798148142373 2303622 C1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N 1 2.023 4 3 0 -6.31970060707939 2303621 CCCCCCN1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C#N)N 1 2.687 4 3 0 -5.88994248722771 2303620 CC(C)N1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C#N)N 1 1.172 4 3 0 -7.3266190580617 2303617 CN1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)N 1 2.086 3 3 -3.7685159871413 2303583 CCCCP(=O)(CCCC)CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 6.124 0 2 -4.68362128572809 2303493 COC1=C(C(=NC=N1)OC)NC(=O)C2=CC=C(C=C2)F 1 2.086 3 3 -4.01065139916549 2303313 CC1=CC(=NOS(=O)(=O)C2=CC=CC=C2)C(=CC1=O)C 1 2.992 1 4 8.45286403483618e-002 2303250 CC1=CC(=NC2=CC(=NN12)NC3=CC=CC=C3)C 1 2.12 4 0 -5.02417987516152 2303225 CC(=C)C(=O)NNC1=CC=CC=C1 1 2.116 2 1 -4.20281524653788 2303208 C1=CC=C(C=C1)C2=NN=NN2CCOCCN3C(=NN=N3)C4=CC=CC=C4 1 1.818 8 1 0 -10.1372062699626 2303173 COC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CN3)OC 1 2.097 3 3 -10.8104993399337 2303119 CC1=CC=C(C=C1)NNC2=C(N=C3C=CC=CC3=NC2=O)C 1 2.59 4 1 -4.15462938372599 2303084 CCOC(=O)C1CCN(CC1)C(=O)C2=CN=CC=C2 1 0.769 2 3 0 -11.1593516192359 2303081 COP(=O)(NS(=O)(=O)C1=CC=CC=C1)OC 1 0.339 1 5 0 -5.44536941872299 2303075 C1CCC(C1)NC(=O)/C=C/C2=CC=CO2 1 2.303 1 2 -7.67072087442216 2303073 C[C@@H](C(=O)OC)NC(=O)/C=C/C1=CC=C(C=C1)OC 1 1.68 1 4 0 -11.1770266874216 2303069 C[C@@H](C(=O)OC)NC(=O)COC1=CC=CC=C1 1 1.064 1 4 0 -12.4462057727026 2303048 C1OC2=C(O1)C=C(C=C2)NC(=O)/C=C/C3=CC=CO3 1 2.245 1 4 -7.26863406659013 2303040 COC1=CC=CC=C1NC(=O)/C=C\C2=CC=CO2 1 2.461 1 3 -7.38889156809242 2303037 CC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=C(C=C3)C(=O)C)C4=CC=CC=C42 1 3.81 3 2 -0.187490691372328 2303019 C1CCC2=C(C1)C3=C(N=CN=C3S2)NC(=O)C4=CC=NC=C4 1 2.668 4 1 -10.462904558264 2302977 CC1(CC(=CC(=O)NC1)C2=CC=CC=C2)C 1 2.589 1 1 -7.13731287524114 2302953 C1COC2=C(O1)C=C3C(=CC(=O)NC3=C2)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.411 2 5 0 -4.22418255070447 2302934 C1CN(N=C1NC(=S)NC(=O)C2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F 1 4.443 4 1 -4.49911823536214 2302922 CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)O 1 2.179 1 4 -17.4769943360473 2302885 CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CC3=CC=CC=C3)C 1 3.343 1 3 0.157660374626157 2302882 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 1.51 5 4 0 -15.0636703739734 2302878 C1=CC=NC(=C1)C(=O)NC2=CC=C(C=C2)SC(F)(F)F 1 4.57 2 1 -2.44025075726478 2302876 C1CC(=NC1)NC2=C(C=CC=C2Cl)Cl 1 2.795 2 0 -3.08143363500564 2302860 CCOP(=O)(C1=C(OC(=N1)C2=CC=C(C=C2)OC)N3CCOCC3)OCC 1 2.088 2 6 0 0.708446045170027 2302856 C1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2 1 2.671 3 1 -3.05563529697256 2302847 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)O 1 5.076 3 3 0.863158037886746 2302838 CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2)Cl 1 3.6 1 2 -4.422056108039 2302831 CCN1C(=NC2=C1C=CC(=C2)S(=O)(=O)C(F)F)C 1 2.508 2 2 -3.59909020476827 2302830 C1=CC=C(C=C1)OCCNC(=O)CSC2=NC3=CC=CC=C3S2 1 3.689 2 2 -12.6974182060856 2302791 COC(=O)C1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)[O-] 1 0.475 2 4 0 -9.19283341698995 2302746 C1=CC=C(C=C1)NC(=O)NCC2=CC=CC3=CC=CC=C32 1 3.438 2 1 -2.71579626736424 2302739 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C 1 4.354 1 4 -5.48402832570059 2302679 COC1=CC=C(C=C1)C(=O)NNC(=O)C(=O)NCC2=CC=CC=C2 1 1.128 3 4 0 -11.8133753956805 2302675 CC(C)CCC(CCC(C)C)(C(=O)NN1CCCCC1)O 1 3.504 2 2 -11.4022973529 2302650 C1=COC(=C1)C(=O)NCCOC2=CC=C(C=C2)Cl 1 2.729 1 3 -4.46495543021005 2302649 CCCC1=CC=C(C=C1)OCCNC(=O)C2=CC=CC=C2Br 1 4.817 1 2 -5.16556723593415 2302648 CCN(CC)C(=O)CSCC(=O)NC1=CC=CC=C1 1 1.394 2 2 0 -14.292955802543 2302638 C1=CC=C(C=C1)OCCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 3.281 1 3 -3.81456826822068 2302430 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NCC4=CC=C(C=C4)F 1 3.809 3 1 -7.40257830806523 2302414 CCN1C(=NC2=C1C=CC(=C2)OC)C 1 2.144 2 1 0.286715175864186 2302374 CC1=CC(=NC2=NC(=NN12)SCC(=O)NCC3=CC=CC=C3OC)C 1 2.495 5 2 0 -20.4553698762232 2302373 CC1=CC(=NC2=NC(=NN12)SCC(=O)NCC3=CC=C(C=C3)OC)C 1 2.495 5 2 0 -18.3411120451573 2302363 CC1=CC(=NC2=NC(=NN12)SCC(=O)NCCOC)C 1 0.797 5 2 0 -21.2196912452288 2302362 CC1=CC(=NC2=NC(=NN12)SCC(=O)NCC3=CC=CO3)C 1 1.693 5 2 0 -20.0816325105557 2302355 CC1=C(C(=NN1C)C)SC2=CC=CC=C2N 1 2.279 3 0 0.608396952313784 2302351 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCOCC4 1 2.981 3 3 -10.1373563720799 2302347 CC1=CC(=NC2=NC(=NN12)SCC3=CC(=O)N4C=C(C=CC4=N3)Br)C 1 2.066 6 1 0 -18.4261231959726 2302346 CC1=CC(=NC2=NC(=NN12)SCC3=CC=CC=C3F)C 1 3.657 4 0 -11.3486473131197 2302332 C1COCCN1C2=C(N=C(O2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.303 2 4 -15.1566166316616 2302322 COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3)OC 1 2.258 2 4 -20.5914430739604 2302300 CCC1=NC2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1CC 1 3.166 3 2 -12.1830306013237 2302295 C1=CC=C2C=C(C=CC2=C1)OC3=CC=CC=C3N 1 3.552 1 1 4.61615448261898 2302289 COC1=C(C=C(C=C1)C=NNC(=O)COC2=CC=CC3=C2N=CC=C3)OC 1 2.672 3 4 0 -14.2764949569371 2302278 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(F)(F)F)F 1 2.567 2 4 -20.3460758245131 2302273 CC1=NN2C3=CC=CC=C3N(C2=NC1=O)C 1 1.081 4 1 0 -6.39513792903188 2302272 C1=CC=C(C=C1)OP(=O)(NC2=CC(=CC=C2)[N+](=O)[O-])OC3=CC=CC=C3 1 4.185 2 5 0 -2.48790010181222 2302271 CC1=CC(=CC(=C1)OP(=O)(C)N)C 1 1.564 1 2 0 1.76981138780116 2302260 CN1CCC2(CC1)C(=O)NC(=O)N2 1 -0.98 3 2 0 -3.16956197978086 2302252 CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NO)[N+](=O)[O-] 1 4.155 2 3 4.84355815930698 2302212 C1CCC(CC1)C(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)Br 1 3.211 1 4 -12.3096419353633 2302202 COC1=CC=C(C=C1)OCC(=O)NN=CC2=CC=NC=C2 1 1.351 3 3 0 -5.71116590512693 2302193 C1=CC2=C(C=C1S(=O)(=O)NCCO)C(=O)C3=C2C=CC(=C3)S(=O)(=O)NCCO 1 -0.334 2 7 0 -7.74055627122304 2302183 COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC=CC=C2Br)OC 1 2.587 2 4 -8.14177353829874 2302177 C1CCCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F 1 2.362 2 4 -20.7291965116135 2302171 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NCCC3=CC=CC=C3 1 1.953 2 4 0 -21.7338105015549 2302144 COC1=CC=CC=C1N2C(=O)CC3=CC=CC=C3C2=O 1 2.457 1 3 -4.80236944538885 2302143 CC1=CC(=CC=C1)N2C(=O)CC3=CC=CC=C3C2=O 1 2.96 1 2 -1.03578054853743 2302130 C1=CC=C(C(=C1)C(=O)NCCC(=O)NCC2=CC=CO2)Cl 1 1.775 2 3 0 -18.996342227688 2302115 COC1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=CC=CS3)CCC(=O)O 1 3.7 2 4 -8.74734264384361 2302106 CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3CCCCC3 1 5.35 3 0 -7.31980710646865 2302095 C1=CC=C2C(=C1)N=C(S2)S/C(=C/C3=CC=CS3)/C#N 1 4.578 2 0 -3.61266700051053 2302075 C1CCCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.368 2 3 -13.1386580902132 2302060 C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3OCC(=O)O)C4=CC=CC=C4 1 4.864 2 3 -3.96412061140193 2302047 COC1=CC=CC=C1N2C(=NN=N2)S(=O)(=O)CC3=CC=C(C=C3)Cl 1 3.016 4 3 0 -17.7086636364682 2302041 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)N 1 1.854 2 4 0 -8.37983764708745 2302032 CC1=C(OC2=CC=CC=C12)C(=O)NN3C=NN=C3 1 1.314 4 2 0 0.955770286336376 2302025 CCC(=O)NC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.46 1 4 -12.2252962967345 2302024 CN(C)S(=O)(=O)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)C3=CC=CC=C3 1 2.97 3 3 -12.5154489147584 2302015 COC1=CC=CC(=C1)C(=O)CN(C(=O)C2=CC(=C(C=C2)Cl)Cl)N3C(=O)C4=CC=CC=C4C3=O 1 4.47 2 5 0 -3.7245072041511 2302012 CN(C)C(=S)NC(=O)C1=CC(=CC=C1)Cl 1 3.112 2 1 -5.12788690396678 2302005 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.269 4 4 0 -5.62256438064486 2302000 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NCCOC 1 0.624 3 3 0 -12.91905021053 2301999 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N 1 1.641 2 4 0 -6.31896166857307 2301990 CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CCOCC3 1 0.123 2 4 0 -17.7250899243518 2301984 C1COCCN1C2=NC(=NC(=N2)OC3=CC4=C(C=C3)OCO4)N5CCOCC5 1 1.296 5 5 0 -2.72428454899997 2301972 CNC(=O)C1=CC(=C(C(=C1)Cl)OC)OC 1 1.669 1 3 0 -7.49415329376302 2301969 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3OC2=O 1 2.634 2 5 0 -10.631906263682 2301935 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C 1 2.472 3 2 -5.96669836618518 2301916 COC1=CC=C(C=C1)CNC(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.245 2 4 -14.3090678509794 2301906 CCOC1=C(C=C(C=C1)C)S(=O)(=O)NC2=NC=C(C=C2)Cl 1 3.189 2 3 -2.6911049654715 2301870 C1=CC=C(C=C1)N2C(=NN=N2)SCCNS(=O)(=O)C3=CC=CS3 1 2.146 5 2 0 -20.560150436112 2301863 CCCCC(=O)NC(=S)NNC(=O)CCC1=CC=CC=C1 1 3.079 3 2 -12.715196425647 2301853 CC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=NC=C3)Cl 1 3.109 3 3 -11.5428058289955 2301845 COC(=O)C1=C(SC=C1)NC(=O)CSC2=NN=NN2CC3=CC=CC=C3 1 2.085 5 3 0 -28.8194203189263 2301837 CSC1=CC=CC=C1NC(=O)CSCC2=CC=C(C=C2)Br 1 4.305 1 1 -13.8864230657318 2301828 C1CCC(CC1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2 1 4.253 3 2 -15.1449541373015 2301821 CC1=CC=C(C=C1)/C(=C\C2=CC=C(O2)N3CCOCC3)/C#N 1 3.511 2 2 -3.69006963257716 2301810 COCCN1C(=CC=C1C2=CC=CS2)CCC(=O)O 1 2.752 1 3 -14.396634726982 2301800 C1CCN(C1)C2=C(C=CC=C2Cl)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O 1 5.45 2 3 -1.90715453168915 2301774 CCOC1=C(C(=CC(=C1)CNN2C(=NN=N2)N)Br)OCC=C 1 1.708 6 2 0 -13.0772601536642 2301724 C1=CC2=C3C(=C1)C(=NC3=CC=C2)N 1 1.747 2 0 0 2.32071877838914 2301723 C1=CC(=CC=C1C(=O)NCC(=O)O)OC2=C(C(=C(C(=C2F)F)OC3=CC=C(C=C3)C(=O)NCC(=O)O)F)F 1 3.151 2 8 0 -5.69541236812181 2301685 C1=CC=C(C=C1)N(OS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.674 1 5 -5.50827717559782 2301666 CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=N2)Br 1 3.127 2 1 -7.23910257291258 2301665 CC1=CC=CC=C1NC(=O)C2=CC=CC=N2 1 2.378 2 1 -8.78913858488598 2301640 CC1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2 1 3.016 2 1 -4.6497015590104 2301546 CC(C)C1=CC=C(C=C1)CNC(=O)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.377 2 4 -13.728849782784 2301522 CCCCC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O 1 2.944 2 4 -14.9851117727357 2301472 C1=COC(=C1)C2=NC3=C(C=C(C=C3)NC(=O)NCCCO)N=C2C4=CC=CO4 1 2.617 4 4 0 -1.79827323554802 2301465 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)CCC2=CC=CC=C2 1 3.505 2 2 -15.1866927988081 2301453 C1CCC(=CC1)CCNC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 4.123 2 3 -21.0347051377198 2301452 CC(C)C1=CC=C(C=C1)CNC(=O)C(=O)NC2=NC=CS2 1 2.079 3 2 -10.0320925425424 2301424 CCC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCC2)OC 1 1.93 1 4 0 -14.8947456114591 2301372 CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC(=CC=C2)N 1 3.752 2 1 -5.24896493206869 2301266 C1COCCN1C(=S)C2=CNC3=C2C=C(C=C3)Br 1 3.397 2 1 -0.650850991152826 2301265 C1CCC(CC1)NC(=O)CCC(=O)OCC(=O)C2=CC=CC=C2 1 2.558 1 4 -20.5491016613242 2301239 CCOC1=CC=C(C=C1)N2C(=O)/C(=C\N3CCC(CC3)C(=O)OCC)/C(=O)NC2=O 1 1.678 3 6 0 -8.08710467959746 2301203 CN(CC(=O)NCCOC)S(=O)(=O)C1=CC=C(C=C1)Br 1 0.624 2 4 0 -15.9850946304787 2301202 C1CCC(CC1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)F 1 2.764 1 4 -19.0415770683496 2301201 CN(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Br 1 2.659 2 3 -12.992244531195 2301154 C1=COC(=C1)CNC(=O)C(=O)NCC2=CC=NC=C2 1 -7.5e-002 3 3 0 -10.3669827817894 2301129 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCOCC3)OC 1 2.577 2 7 0 -18.3540069239043 2301125 C1=CC=C2C(=C1)C(=CC(=O)O2)NCCO 1 0.595 1 3 0 -1.79227825559436 2301119 C1=CC=C(C=C1)C\2=NOC(=O)/C2=C\C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-] 1 4.486 2 5 0 3.68808671103216 2301106 CCCCC(=O)NC1=CC=CC2=C1C(=O)N(C2=O)C3=CC=CC=C3 1 3.138 2 3 -16.4877332091754 2301070 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)O 1 0.771 2 5 0 -18.1489333218701 2301020 CC1=CC(=C(N1C2CC2)C)/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4 1 2.734 3 3 -6.67824957083632 2300998 CC1=CC(=C(C=C1C)Br)NC(=O)CCNC(=O)OCC2=CC=CC=C2 1 4.205 2 3 -11.4585214257401 2300992 COC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5 1 5.956 3 2 -4.78515716006023 2300990 C=CCOC1=CC=C(C=C1)C(=O)NC2CCCCC2 1 3.496 1 2 -12.3699193099904 2300988 C1CN(CCC1C(=O)NCC2=CC=CO2)C(=O)CC3=CC=CC=C3 1 1.724 2 3 0 -15.5327421818783 2300983 C1CCC2=C(C1)N=C(S2)NC(=O)CSC3=NC(=C(C(=O)N3)CC4=CC=CC=C4)O 1 3.852 4 3 0 -20.8721204557448 2300919 CCCCC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O 1 2.823 1 3 -7.24817832989152 2300880 C1=CC=C(C=C1)C2=CC=CC=C2OCCNC(=O)C3=CC=CO3 1 3.583 1 3 -4.65492606263209 2300845 COCCNC(=S)NC1=CC2=NSN=C2C=C1 1 2.509 4 1 -8.54801024647161 2300829 CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OS(=O)(=O)C3=CC=C(C=C3)Cl 1 5.716 1 4 -14.3808243059797 2300821 CC1=C(/C(=C/C2=CC=CO2)/C(=O)N1CCC3=CC=CC=C3)C(=O)OC 1 2.989 1 4 -9.54547597280975 2300786 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 2.562 2 5 0 -7.4168355669172 2300778 CCOC1=CC=C(C=C1)N2C(=C(/C(=C/C3=CC=CS3)/C2=O)C(=O)OC)C 1 3.552 1 4 -9.3368440076021 2300739 CC(C)N1C(=O)/C(=C\C2=CC3=C(C=C2)N(C(=O)N3C)C)/SC1=O 1 2.149 3 3 -7.7447169400266 2300736 CCN1C(=C(/C(=C/C2=CC=CO2)/C1=O)C(=O)OC)C 1 1.433 1 4 0 -9.19800446275425 2300643 C=CCNC(=S)NC1=CC2=NSN=C2C=C1 1 3.257 4 0 -7.59348211730575 2300635 CC1=C(/C(=C/C2=CC=CO2)/C(=O)N1C3=CC=C(C=C3)Br)C(=O)OC 1 3.41 1 4 -6.8870806125322 2300634 CC1=C(C=CC(=C1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)C3=CC=CS3)Br 1 2.512 4 3 0 -17.8126562978774 2300631 C1=CC=C(C=C1)N2C(=O)/C(=C\C3=C(C=CC4=CC=CC=C43)OCC5=CC=C(C=C5)C(=O)O)/NC2=O 1 4.624 2 5 0 -0.115525872215217 2300597 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NCCC3=CCCCC3 1 4.404 2 3 -21.746582163185 2300592 C1CCC(CC1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.453 2 6 0 -21.847851881172 2300539 CC1=C(C(=NN1CC2=CC=CC=C2)C)C=C3C(=O)NC(=O)NC3=O 1 1.525 4 3 0 -8.0585957898081 2300529 CC1=CC=C(O1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)F 1 3.292 2 3 2.07193839124381 2300528 CC1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.441 3 7 0 -21.374579452477 2300520 COC1=C(C=C(C=C1)CCNC(=O)C(=O)NCC2=CC(=CC=C2)OC)OC 1 2.166 2 5 0 -14.1235744608872 2300498 CC1=C(C(=NN1CC2=CC=CC=C2)C)C=C3C(=O)NC(=S)NC3=O 1 2.425 4 2 -6.12807368295231 2300497 CCOC(=O)C\1=C(N(C(=O)/C1=C\C2=CC=CS2)C3=CC=C(C=C3)C)C 1 4.054 1 3 -9.20725048821362 2300455 COCCNC(=O)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CS3)C4=CC=CS4 1 4.08 4 2 -10.4535760095358 2300454 C1CCCC(CC1)NC(=O)C2CCN(CC2)C(=O)CC3=CC=CC=C3 1 3.273 2 2 -11.4162042882205 2300422 C1CCC(=CC1)CCNC(=O)CN(CC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.787 2 3 -17.5777107842577 2300383 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=S)N3CCC(CC3)O 1 2.355 2 5 0 -16.0107708309376 2300324 CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2CCCCC2)C 1 3.531 1 4 -19.6923371770712 2300208 CSC1=N/C(=C\C2=CC(=CC=C2)F)/C(=O)S1 1 3.613 1 1 -5.85521119192179 2300157 CCOC1=CC(=CC=C1)OCCCCN2C=NC3=CC=CC=C3C2=O 1 3.563 2 3 -2.60223659691261 2300063 CC1=C(C=C(C=C1)C(C)C)OCCOCCN2CCCC2 1 3.962 1 2 1.72081103805676 2299958 CC1=CC(=C(C(=C1)Br)OCCCCN2CCOCC2)Cl 1 4.181 1 2 3.93833718077846 2299954 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCCOC3=CC=C(C=C3)Cl 1 3.677 4 2 -15.1763224522157 2299941 COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 2.747 5 6 0 -14.3098718523927 2299889 CC1=CC(=CC(=C1Br)C)OCC(=O)NCCCN(C)C 1 2.795 2 2 -8.46358165860234 2299882 CCOC1=CC(=CC=C1)OCCCCN2CCOCC2 1 2.614 1 3 -1.00374132279065 2299870 CC1=C(C=C(C=C1)C(C)C)OCCNCCCOC 1 3.028 1 2 1.2384313226435 2299844 C1=CC=C(C=C1)CCCNC(=O)CC2=CC=CS2 1 3.387 1 1 -12.9449683237586 2299797 COCCNCCCCSC1=CC=C(C=C1)Cl 1 3.15 1 1 -0.348108495683643 2299665 CC1=CC(=C(C=C1)OCCOCCNCC=C)[N+](=O)[O-] 1 2.282 2 4 -5.59539601877776 2299642 C=CCSC1=N/C(=C\C2=CSC=C2)/C(=O)S1 1 3.687 1 1 -12.758788809214 2299638 C=CCNCCOC1=CC(=CC=C1)Br 1 2.781 1 1 -0.347409530527869 2299629 CC1=CC(=C(C(=C1)Br)OCCCCNCCOC)Cl 1 3.826 1 2 2.89041621972772 2299540 CCCCOC1=CC=CC=C1NC(=O)C2=CNC(=O)C=C2 1 1.733 2 3 0 -12.2105710995621 2299518 CC1=C(C=CC(=C1)C(C)(C)C)OCCCCN2CCCC2 1 4.942 1 1 7.45729133895442 2299505 C1CC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F 1 4.305 3 2 -19.4535792044437 2299468 CC1=CC=C(C=C1)N(CCCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.524 3 5 0 -10.3878327302332 2299442 C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)CCCO 1 3.68 4 1 -11.8018716699821 2299390 CCC1=CC(=CC=C1)OCCCCN(CC)CC 1 4.234 1 1 0.613808257458171 2299291 CCC1=CC(=CC=C1)OCCCC(C(=O)OCC)C(=O)OCC 1 4.018 0 5 -5.22522385741973 2299290 CCOC1=CC(=CC=C1)OCCCNCCCOC 1 1.742 1 3 0 -2.19997266929102 2299278 CCOC1=CC=C(C=C1)OCCOCCNCCOC 1 1.486 1 4 0 -3.41460367658135 2299142 CCCCOC(=O)NC1=CC=CC=C1C(=O)N2CCCC2 1 2.797 2 3 -12.3927010409028 2299132 COC1=C(C=C(C=C1)C2(CCCC2)CNC(=O)C3=CC(=CC=C3)OC)OC 1 4.027 1 4 -18.793165882761 2299114 COC1=CC=C(C=C1)OCCNC(=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 5.05 2 6 0 -4.06164069852492 2299113 CCCCOC(=O)C1=CC=C(O1)S(=O)(=O)N 1 1.239 1 5 0 -8.52479226746661 2299102 CCN(CC)C(=O)COC(=O)C1=CC=C(C=C1)O 1 1.406 1 4 0 -9.63204502866398 2299099 CCCNC(=O)NC1=C(C=C(C(=C1)OCC)N2CCOCC2)OCC 1 2.333 3 4 0 -14.4327675091887 2299075 C1=CC2=C(C=C1S(=O)(=O)NCCO)NC(=O)N2 1 -0.936 3 4 0 -15.237926782848 2299068 CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 5.312 1 4 -12.0094466292139 2299067 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC(=CC=C3)OC 1 2.861 3 5 0 -7.06812130733059 2299056 C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2Cl)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 5.676 2 4 -1.87905265292037 2299024 COC1=C(C=CC(=C1)SC)C(=O)NCCOC2=CC=C(C=C2)Cl 1 3.86 1 3 -3.1638214442074 2299020 C/C(=C\C1=CC=CC=C1)/C=C(\C#N)/C(=O)NCCOC 1 2.128 2 2 -14.1586224747304 2299015 COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C(=O)C2=CC=CC=C2 1 2.998 1 5 -7.10061002448889 2298971 C1CCC(CC1)C(=O)NCCOC2=CC=CC=C2 1 3.132 1 2 -7.71615456677466 2298970 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC=NC=C3 1 1.727 4 4 0 -6.14861034173874 2298960 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC=CC=C3 1 2.878 3 4 0 -6.12954007259838 2298933 CC1=C(N=C(S1)NC(=S)NC(=O)C2=CC=CS2)C(=O)OC 1 2.673 3 3 -12.7520749146218 2298907 C1=CC=C(C=C1)CCNC(=S)NC2=CC=CC=C2F 1 4.622 2 0 -8.67776021763026 2298847 COC1=C(C=C(C=C1)C(=O)NCCCN2CCOCC2)Br 1 1.658 2 3 0 -10.2544612314459 2298826 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C 1 2.134 1 3 -9.52482220137717 2298738 CCCOC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 3.256 1 4 -10.1912600585253 2298719 CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-] 1 2.627 2 6 0 -13.1783498201411 2298706 C1COCCN1CCCNC(=O)C2=C3N=C(C=C(N3N=C2)C4=CC=CC=C4)C5=CC=CC=C5 1 3.093 5 2 0 -12.2570831081929 2298646 C1COCCN1CCCNC(=O)C2=CC=C(C=C2)Br 1 1.675 2 2 0 -9.02487418350764 2298496 CCC1=CC(=CC=C1)OCCCCNCCOC 1 2.87 1 2 -0.253206722882542 2298454 COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 2.419 5 6 0 -23.8378561727214 2298439 CC1=C(C=CC(=C1)OCCOCCN2CCCC2)C(C)C 1 3.962 1 2 -0.543441296643791 2298401 CC1=CC(=C(C=C1)OCCCNCCOC)Br 1 2.582 1 2 0.746919075192628 2298375 CCCSC1=NC(=O)C(=NN1)C2=CC=CC=C2NC(=O)CC 1 2.885 4 2 -15.060638110556 2298365 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCOC2=CC=C(C=C2)F 1 1.992 2 4 0 -11.3293488025841 2298353 CC(C)(C)C1=C(C=CC(=C1)Cl)OCCCNCCCOC 1 3.475 1 2 2.89895973014863 2298294 CC1=CC(=C(C(=C1)Br)OCCOCCN2CCCCC2)Cl 1 4.637 1 2 3.44699283354808 2298222 CC(C)C1=CC=CC=C1OCCNS(=O)(=O)C 1 1.99 1 3 0 -5.34085755801038 2298166 CCOC1=CC(=CC=C1)OCCCCN2CCCCC2 1 3.844 1 2 1.39486488812144 2298002 C1=CC=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)OCCOC3=CC=C(C=C3)[N+](=O)[O-] 1 2.374 3 7 0 -6.55288790809799 2297964 CC1=C(SC=C1)/C=C\2/C(=O)SC(=N2)SCC=C 1 4.464 1 1 -10.9748670476983 2297958 CC1=CC(=C(C=C1)OCCOCCNCCCOC)Br 1 2.451 1 3 -1.95519387458933 2297876 CCCCC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C(=O)O 1 3.975 2 3 -13.4487880125483 2297827 C1=CC=C(C=C1)/C=C\2/C(=O)C3=CC=CC=C3N2 1 2.961 1 1 -5.1571870052044 2297820 CCOC(=O)/C(=C\C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)/C#N 1 2.202 2 6 0 -13.9576708624524 2297791 C1=C(C(=CC(=C1Cl)C(=O)OCCO)Cl)C(=O)OCCO 1 1.79 0 6 0 -2.79940707659477 2297789 CCCCN(CCCC)C1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 4.18 5 3 0 -10.3240766313526 2297784 CCN(CC)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O 1 3.298 2 2 -9.11018916010167 2297776 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CN=CC=C3 1 0.268 3 4 0 -21.4683892456718 2297774 C1=CC=C(C=C1)C(=O)NC(=O)OCC(F)(F)F 1 2.472 1 3 -7.25833981283905 2297690 CCCS(=O)(=O)C(=C(NC1=CC=C(C=C1)OC)NC2=CC=C(C=C2)OC)S(=O)(=O)CCC 1 4.625 2 6 0 -6.02249767008328 2297665 CC(C)CC1=C(C(=S)NC2=C1CCCC2)C#N 1 3.787 2 0 -8.18109395675009 2297554 C1=CC=C2C(=C1)C(=O)N(C=N2)CCOCCOC3=CC(=CC=C3)Br 1 3.206 2 3 -3.78642369423886 2297511 CCN(CC)CCCOC1=C(C=C(C=C1)C)Br 1 3.946 1 1 1.25656800320494 2297467 CC1=CC(=C(C(=C1)C)NC(=O)COC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)C5=CC=CC=C5O4)C 1 6.196 2 4 -11.272845573217 2297431 CC(C)(C)NCC(=O)NC1=C(C2=C(S1)CCC2)C(=O)NC3=C(C=C(C=C3)OC)OC 1 2.817 3 4 0 -23.7528833088501 2297293 CC(C)(C)SCCNC(=O)C1=C(C2=CC=CC=C2C=C1)OC 1 3.475 1 2 -6.95733531718296 2297232 C=CCSC1=N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)S1 1 3.793 1 3 -12.9291941575059 2297216 CCC1=CC(=CC=C1)OCCC(C(=O)OCC)C(=O)OCC 1 3.561 0 5 -5.13227673313348 2297167 CC1=CC=C(O1)/C=C\2/C(=O)SC(=N2)SCC=C 1 3.565 1 2 -9.98030262831747 2297135 C1COCCN1CCOCCOC2=C(C=C(C=C2)Br)Cl 1 2.921 1 3 -0.240769918262874 2297024 CC1=CC=C(C=C1)N(CCCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CS4 1 4.583 2 3 -9.25984718868724 2297013 COC1=CC(=CC2=C1OCO2)/C=C\3/C(=O)SC(=N3)SCC=C 1 3.776 1 4 -12.8266871648871 2297008 CC1=CC=C(C=C1)OCCNC(=O)/C=C/C2=CC=CC=C2 1 3.624 1 2 -6.24417352633759 2297002 CC1=CC=C(C=C1)N(CCCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C 1 2.965 2 3 -5.21128693359451 2296969 CC1=CC(=C(C=C1)OCCCCNCC=C)[N+](=O)[O-] 1 3.056 2 3 -4.46378864696319 2296926 CN1C(=CC(=O)N(C1=O)C)NC(=O)CSC2=NN=C(N2C)C3=CC=CS3 1 1.249 6 3 0 -21.2542639368169 2296904 CCOC1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])/C=C\2/C(=O)SC(=N2)SCC 1 3.751 2 6 0 -14.1905846431941 2296877 C1=CC=C2C(=C1)C(=O)N(C=N2)CCCCOC3=CC(=CC=C3)Br 1 3.979 2 2 -0.221116450639564 2296855 CC1=C(C=CC(=C1)OCCCN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-] 1 3.031 3 4 0 -5.03225633929487 2296808 CCOC1=CC(=CC=C1)OCCOCCN2CCCC2 1 2.614 1 3 -1.14061715585295 2296796 CCOC1=C(C=CC(=C1[N+](=O)[O-])/C=C\2/C(=O)SC(=N2)SCC)OC(=O)C 1 3.751 2 6 0 -11.4164243890645 2296726 C=CCSC1=N/C(=C\C=C\C2=CC=CO2)/C(=O)S1 1 3.888 1 2 -5.02154198687648 2296689 C1=CC=C2C(=C1)C(=O)N(C=N2)CCCSC3=CC=C(C=C3)Cl 1 3.873 2 1 0.690207535403716 2296676 CC1=C(C=CC(=C1)C(C)(C)C)OCCOCCN2CCCC2 1 4.169 1 2 4.56734078081196 2296546 CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)OC 1 3.294 2 4 -14.726220114683 2296538 C=CCSC1=N/C(=C\C2=CC=C(C=C2)C(=O)O)/C(=O)S1 1 3.654 1 3 -13.7838811920594 2296510 CCN(CC)CCCOC1=CC(=C(C=C1)Cl)Cl 1 4.041 1 1 1.30567091210743 2296485 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN(C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.702 3 5 0 -7.57908864626505 2296484 CC1=C(C(=CC=C1)C(C)(C)C)OCCOCCN2CCCC2 1 4.169 1 2 0.627677724819842 2296431 C1CCC(C1)(CNC(=O)C(=O)N2CCOCC2)C3=CC=CC=C3 1 1.659 2 3 0 -21.0984358964869 2296396 CC1=CC(=CC(=C1OCCNC(=O)C)C)S(=O)(=O)N 1 0.683 2 4 0 -9.80513302798835 2296395 CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)OC 1 3.775 2 4 -7.16147899417443 2296331 CCC1=CC=C(C=C1)OCCNC(=O)C2=CC=CC=C2SCC3=CC=CC=C3 1 5.738 1 2 -14.1225399941309 2296326 CCN(CC)CCNC1=CC(=NC2=C1C(=O)C(=O)C=C2N3CCCCC3)C 1 2.641 4 2 -4.40679381329783 2296301 COC1=CC=CC=C1OCCNS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43 1 3.86 1 5 -10.0369282821729 2296299 C=CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br 1 1.992 2 3 0 -20.9130399529493 2296278 C1=CC=C(C(=C1)C(=O)NCC(=O)NCCOC2=C(C(=CC=C2)Cl)Cl)F 1 3.264 2 3 -13.1614281404905 2296268 C=CCOC(=O)/C(=C/C1=CC=CO1)/NC(=O)/C=C/C2=CC=CC=C2 1 3.122 1 4 -11.4064685200412 2296239 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCOC3=CC=CC=C3 1 3.277 3 3 -21.8818111210748 2296237 C1CC1C(=O)N(CCN(CC2=CC=CC=C2)C(=O)C3CC3)CC4=CC=CC=C4 1 3.66 2 2 -10.0043047917764 2296234 C1CC1C(=O)N(CCN(C2=CC=CC=C2)C(=O)C3CC3)C4=CC=CC=C4 1 3.646 2 2 -6.4447692524732 2296209 CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)OC)OC 1 3.597 1 5 -5.65616644893894 2296200 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 5.956 3 2 -8.68733010532773 2296198 CN1C(=O)C(C(=O)N(C1=O)C)CC2=C(C=C(C=C2)OC)OC 1 1.282 2 5 0 -6.50972378525269 2296181 C1CCC(CC1)C(=O)NC(=S)NCC(=O)C2=CC=CC=C2 1 3.629 2 2 -6.85683660611107 2296171 CC(C)CC(=O)NC(=S)NCC1=CC=CC=C1 1 3.205 2 1 -11.520121839155 2296160 COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)N2CCCC2 1 0.826 2 4 0 -11.2888437172646 2296147 CCCCOC1=C(C2=CC=CC=C2C=C1)C=O 1 3.81 0 2 3.03586907019461 2296131 CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-] 1 3.783 2 4 -10.4483337726284 2296128 CC1=C(C=C(O1)C(C)(C)C)C(=O)NC2=CC=CC(=C2)/C=C\C(=O)O 1 3.653 1 4 -1.85528362773358 2296115 CN1C(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3)C(=O)N(C1=O)C 1 2.411 2 6 0 -13.5542172941489 2296078 CC1=CC(=CC=C1)OCCNC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC 1 3.855 1 5 -7.83434690309986 2296077 CC1=C(C=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CS4)C 1 6.002 3 2 -12.9650987433786 2296076 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)OC 1 3.001 2 4 -19.3094174091468 2296071 C1CC1C(=O)NC2=CC=C(C=C2)C(=O)N 1 0.71 2 2 0 -6.916158476425 2296059 CCC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)C3=CC=CO3 1 1.661 4 4 0 -12.784265195705 2296044 CC1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC(=O)NC3CC3 1 2.207 4 2 -25.9845616985272 2296037 CCNC(=O)/C(=C/C1=CC=CO1)/NC(=O)/C=C/C2=CC=CC=C2 1 2.206 2 3 -12.2240089591252 2296016 CC(C)C(=O)NC(=S)NCC(=O)C1=CC=CC=C1 1 2.632 2 2 -12.2135422549167 2296002 CN1C2=CC=CC=C2C3=C1C=C(C=C3)CC(=O)OC 1 3.419 1 2 -2.11342911955861 2295992 C1=CC=C(C=C1)/C=C/C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NCCCO 1 1.985 2 3 0 -14.0198742133715 2295983 CCC1=CC=CC(=C1NC(=O)CSC2=NC=NN2)C 1 2.738 4 1 -15.1179313614649 2295980 C1CC1C(=O)NC2=CC(=C(C=C2)Br)Cl 1 3.12 1 1 -1.03973377516979 2295970 COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC)OC 1 3.281 1 6 0 -10.8429929790743 2295935 C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)NCCO 1 -0.984 3 4 0 -7.73083601508214 2295931 C1CCN(CC1)C(=O)/C(=C\C2=CC=CC=C2)/NC(=O)/C=C/C3=CC=CC=C3 1 3.585 2 2 -14.3306579193315 2295897 CN1C(=O)C(C(=O)N(C1=O)C)CC2=CC=CS2 1 0.847 2 3 0 -8.07353786272529 2295889 CC1=NC2=NC=NN2C(=C1)C3=CC=CC=C3 1 2.47 4 0 -5.02416265592993 2295886 CN1C2=CC=CC=C2C3=C1C=C(C=C3)CC(=O)O 1 3.193 1 2 -0.345988461391669 2295879 C1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)C3=CC=C(C=C3)Cl 1 4.949 4 0 -4.0737198815325 2295872 CC(C)CC(=O)NC(=S)N(CC1=CC=CC=C1)CC2=CC=CC=C2 1 5.325 2 1 -12.4107031620161 2295774 C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC=C(C=C3)OCC(=O)O)/SC2=S 1 4.095 1 4 -10.3811389382454 2295737 CC(=O)N1C(=O)/C(=C\C2=CC(=C(C(=C2)Br)OCC=C)OC)/NC1=S 1 3.152 2 4 -11.497965006664 2295722 CC1(C(=O)/C(=C\NC2=CC=CC=N2)/C3=C(O1)C=CC4=C3OC(=O)C=C4)C 1 2.771 2 4 -1.97824655120419 2295711 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC3 1 2.528 2 4 -5.9042187280874 2295709 C1CC1NC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2 1 3.036 1 1 -2.33722864621415 2295665 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)CC(=O)NCC4=CC=CO4 1 3.308 1 3 -16.759169142247 2295662 CC1=CC(=CC=C1)OCCNC(=O)C2=CC=CC=C2SC 1 3.698 1 2 -11.2032572555795 2295654 COCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2 1 0.496 2 4 0 -23.6001258433021 2295595 C1=CC=C(C=C1)/C=C(/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)\Br 1 3.449 1 3 -11.2456478647709 2295574 C1=CC=C(C=C1)/C=C/C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NC3=CC=CC(=C3)C(=O)O 1 3.669 2 4 -13.3758756205435 2295532 CCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)O 1 3.31 2 3 -12.3987921277136 2295521 COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3)OC 1 2.468 2 4 -8.38785036620351 2295500 CN(CCOC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43 1 4.082 1 4 -9.07788661186792 2295474 C1COCCN1C(=S)C2=CN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)F 1 4.508 2 2 -4.12908528308423 2295461 C1CC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.621 3 4 0 -16.7404893166923 2295450 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.11 3 4 0 -13.3536992428896 2295436 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=NC=CC=N2)Cl 1 2.7 4 1 -9.28766345456708 2295422 C1CCC(CC1)C(=O)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3 1 6.076 2 1 -7.26945167816934 2295392 COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCOCC3 1 1.693 1 5 0 -12.5070779069308 2295386 COC1=CC2=C(C=C1)C(=O)/C(=C\C3=CC=CS3)/CO2 1 3.336 0 3 0.590734855900276 2295377 C1=CC=C(C=C1)/C=C/C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.669 2 4 -13.3380866893573 2295348 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4 1 5.674 2 0 5.97640830509389 2295302 COC1=C(C(=C(C=C1)C(=O)NC2=CC=C(C=C2)OCC(=O)N3CCOCC3)OC)OC 1 1.502 2 7 0 -13.3877935382143 2295300 CCOC1=C(C=CC(=C1)/C=C\[N+](=O)[O-])OCC(=O)NC2=CC=CC=C2C 1 3.248 2 5 0 -5.44135836912748 2295273 C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCCC(=O)C4=CC=C(C=C4)F 1 4.739 4 1 -13.2033052475188 2295259 CCCCC(=O)NC1=CC(=C(C=C1)F)Cl 1 3.399 1 1 -5.79841214079849 2295236 CC1=CC=CC=C1OCCNC(=O)C2=NC3=CC=CC=C3C=C2 1 3.771 2 2 -8.70351875958722 2295226 CCCCC(=O)NC1=CC=CC=C1C#N 1 2.408 2 1 -10.2349108347552 2295221 CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 5.4 2 3 -8.11088497485365 2295216 CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 5.411 2 3 -15.1358434545438 2295210 COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3)OS(=O)(=O)C 1 4.172 1 5 -12.5635699793116 2295169 COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NCCN3CCOCC3 1 1.459 2 4 0 -8.56291500668891 2295145 C1CN(CCC1C(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 1.269 2 4 0 -18.454668842568 2295138 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.446 3 4 0 -14.2907096582385 2295134 CC1(C(=O)/C(=C\NC2=CC=C(C=C2)O)/C3=C(O1)C=CC4=C3OC(=O)C=C4)C 1 3.141 1 5 -2.55723437495302 2295131 CCOC(=O)CSC(=S)NC(=O)C1=CC=C(C=C1)OC 1 2.962 1 4 -11.1569730982144 2295127 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5 1 4.421 0 6 -20.2470342811594 2295099 CCNC1=NC(=NC(=N1)NCC=C)N2CCOCC2 1 0.376 6 1 0 -8.64482728400711 2295098 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC=C(C=C3)F 1 3.083 3 4 0 -4.62201547962378 2295058 CN1C(=O)C(=CC2=CC=C(O2)N3CCOCC3)C(=O)N(C1=O)C 1 0.645 3 5 0 -4.35217206122493 2295023 CCCCNC(=S)NC1=CC=CC=C1F 1 4.046 2 0 -10.7867710165318 2294902 C1=CC(=C(C=C1C(F)(F)F)NC(=O)CCCC(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl)Cl 1 5.668 1 4 -8.87025192395371 2294893 CC1=CC=CC=C1OCCNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 5.153 2 2 -10.2227067796417 2294842 CCCCN(CCCC)C(=S)NC(=O)C(C)(C)C 1 4.987 2 1 -14.62638521687 2294829 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCC2)C3CCCCC3 1 3.018 2 3 -10.8061064762465 2294818 CN1C(=NN=N1)SCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3 1 1.651 6 2 0 -29.0416602463688 2294773 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3 1 1.546 3 3 0 -19.1632023750799 2294766 C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)OCC(C(F)F)(F)F)C(F)(F)F)O 1 4.303 1 3 -3.78231021320005 2294721 C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4Cl 1 5.862 3 2 -8.49242847199439 2294691 COC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.721 2 4 -18.5975403836815 2294690 CC1=CC=C(C=C1)C(=O)N2CC3(CN(CC(C2)(C3=O)C(C)C)C(=O)C4=CC=C(C=C4)C)C(C)C 1 4.934 2 3 -6.66140033253774 2294639 CC1=C(C=C(C=C1)Cl)OCC(=O)NCCOC(=O)NC2=C(N(C(=S)S2)C)C 1 4.227 3 4 0 -12.0133595740947 2294629 CCCCNC(=O)C1=CC=CC=C1C(=O)NCCCC 1 2.903 2 2 -9.90557223025428 2294624 COC1=C(C=C(C=C1)CSC2=NN=NN2CC3=CC=CC=C3)OC 1 3.358 4 2 -23.0023314771656 2294595 CN1C(=O)C(C(=O)N(C1=O)C)CC2=CC=CC3=CC=CC=C32 1 2.223 2 3 -3.75480478699916 2294592 C1=CC=C(C=C1)C(=O)CNC(=S)NC(=O)C2=CC=C(C=C2)Cl 1 3.831 2 2 -8.13479010657876 2294567 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)NC(=O)C 1 3.236 1 4 -10.3423004320237 2294554 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=C(C=C4)Cl 1 2.951 2 4 -4.84195607790473 2294537 C1=CC=C(C=C1)/C=C/C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NC3=CC=CC=C3O 1 3.797 2 3 -8.17938753950606 2294524 COC1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)Cl)OC 1 3.994 1 3 -6.28471473003688 2294517 C1CCN(C1)C(=O)C(=O)NC2=CC=CC=C2Br 1 1.719 2 2 0 -9.45725190994596 2294506 CC1=CC=C(S1)CC2C(=O)N(C(=O)N(C2=O)C)C 1 0.993 2 3 0 -4.20184255691233 2294501 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)O 1 5.026 2 3 -20.0878559851623 2294491 C1=CC(=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Cl)C3=NC4=C(O3)C=CC=N4 1 4.168 3 2 4.51378367008172 2294488 COC1=C(C=C(C=C1)C2=NN=C(O2)COC3=CC4=CC=CC=C4C=C3)OC 1 3.765 2 4 -3.87517327080609 2294485 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)/C=C/C3=CC=CO3)OC 1 4.068 3 4 0 -4.66180128485156 2294470 CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.673 2 4 -14.0413089802636 2294458 C1COCCN1C(=S)C2=CN(C3=CC=CC=C32)C(=O)C4=CC=CS4 1 4.256 2 2 -6.98335099566096 2294457 C1=CC=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)SCC(=O)C3=CC4=CC=CC=C4C=C3 1 4.804 3 2 -11.4272650259726 2294455 C1=C2C=C(C(=O)OC2=C(C=C1Cl)Cl)C(=O)NCCO 1 1.857 1 4 0 -12.2326005523009 2294439 C1COCCN1C(=O)/C(=C\C2=CC=CC=C2)/NC(=O)/C=C/C3=CC=CC=C3 1 2.356 2 3 -15.8989543691071 2294403 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4Cl 1 3.407 3 3 -7.17050232390897 2294329 C1=CC=C(C=C1)/C=C/C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)N 1 2.256 2 2 -8.64094986835512 2294296 C1C(=O)N(C(=S)S1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 1.702 3 5 0 -11.1254522296142 2294288 CCCCOC1=CC=C(C=C1)CC2C(=O)N(C(=O)N(C2=O)C)C 1 2.627 2 4 -7.8537846996236 2294285 COC1=C(C=CC(=C1Cl)Cl)S(=O)(=O)NCCCN2CCOCC2 1 1.942 2 4 0 -7.48884041861286 2294260 CC(C)(C)C(=O)NC(=S)NCCC1=CC=CC=C1 1 3.698 2 1 -14.7483620978845 2294204 CC1=CC=C(C=C1)C(=O)NC(=S)NCC(=O)C2=CC=CC=C2 1 3.653 2 2 -9.95678879716558 2294158 C1=CC=C(C=C1)/C=C/C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NCCO 1 1.923 2 3 0 -14.967965897622 2294137 C1=CC(=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3 1 3.852 2 3 -5.37778774570016 2294117 CC1=CC=CC=C1OCCOC2=CC=C(C=C2)C(=O)OC 1 3.787 0 4 -2.76803742046769 2293976 CC1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C=C3C(=O)NC(=O)NC3=O 1 2.966 2 5 0 -7.18082852738277 2293952 CN1C(=O)C(=CC2=CC=CC=C2OCCOC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C1=O)C 1 2.786 3 7 0 -7.15221878964084 2293923 CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)OC 1 3.443 2 3 -8.18369087918734 2293921 C1CC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.901 3 5 0 -7.65676160428202 2293911 CC(C)CC(=O)NC(=S)NCCC1=CC=CC=C1 1 3.527 2 1 -12.0562614068364 2293901 CC1=CC=C(C=C1)SCCNC(=O)C(CO)(CO)CO 1 0.324 1 4 0 -4.05478350026745 2293772 C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C=C3C(=O)NC(=O)NC3=O 1 2.48 2 5 0 -7.93719479055818 2293724 CCN(CC)CCCNC(=O)C1=NN2C(=C1)N=C3C(=C2C(F)(F)F)CCC4=CC=CC=C43 1 4.556 5 1 -12.0850767768183 2293581 CC1=CC(=O)N=C(N1)SCC(=O)NCCOC2=CC=CC=C2 1 1.66 3 3 0 -22.5862591835632 2293496 CC1=CC(=NO1)NC(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3F)/SC2=S 1 3.276 3 3 -19.9979036085183 2293616 CCOC(=O)/C(=C\C1=C(N(C(=C1)C)C2=CC=CC=C2)C)/C#N 1 3.508 2 2 -9.92107877275242 2293541 CC1=CC(=C(C=C1S(=O)(=O)NCCCN2CCOCC2)Br)C 1 2.35 2 3 -6.96602531123573 2293535 CCN1C2=C(C(C3=C1CCCC3=O)C4=CC=C(C=C4)O)C(=O)CCC2 1 2.99 1 3 -11.9891977397309 2293527 CCCOC1=C(C=C(C=C1Br)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)C)OC 1 4.471 1 4 -13.3479563141859 2293488 COC1=CC=C(C=C1)OCCSC2=NC(=CC(=N2)N)N 1 2.314 4 2 -3.75082602795814 2293443 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CO2 1 1.856 3 5 0 -15.0679193607216 2293436 CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC=CO2)C 1 2.464 3 4 0 -14.2775338078799 2293424 CC1=CC=C(C=C1)OCCSC2=NC(=CC(=N2)N)N 1 2.817 4 1 -3.19258324761444 2293412 COC1=CC(=CC=C1)OCCSC2=NC(=CC(=N2)N)N 1 2.314 4 2 -4.3349930881563 2293360 C=CCN1C(=O)/C(=C\C=C\C2=CC=CC=C2)/C(=O)NC1=O 1 2.154 2 3 -2.58858042575576 2293262 CC1=C(SC(=C1C(=O)N)NC(=O)/C=C/C2=CC=CC3=CC=CC=C32)CC4=CC=CC=C4 1 5.11 2 2 -1.60661269630434 2293252 COC1=C(C=C(C=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)N)[N+](=O)[O-] 1 2.264 6 4 0 -23.5918052216327 2293244 C=CCNC(=O)C(=O)NCCOC1=CC=CC=C1Cl 1 1.641 2 3 0 -13.7208807745809 2293226 C=CCNC(=O)/C(=C/C1=CC=CO1)/NC(=O)C2=CC=C(O2)Br 1 1.97 2 4 0 -21.1259338924254 2293225 CC(C)CNC(=O)C(=O)NC1=CC=C(C=C1)N(C)C 1 1.658 3 2 0 -12.7029517146669 2293194 CCOC(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)C2CCCCC2 1 2.34 2 4 -13.8202806761249 2293171 CCC1=CC=C(C=C1)NC(=O)C(=O)NCCOC2=CC=CC=C2Cl 1 3.543 2 3 -10.3757628318481 2293154 CC1=C(C=C(C=C1)NC(=O)C(=O)C2=CC=CC=C2NC(=O)C)C 1 2.593 2 3 -10.4225042449979 2293105 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCOC2=CC=CC=C2OC 1 1.77 2 5 0 -15.6632700974843 2293102 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3OC 1 2.059 3 6 0 -20.6256113910642 2293067 C1=CC=C(C=C1)NCCCC(=O)NN=CC2=CC=CS2 1 2.866 3 1 -11.653876266979 2292990 C1=CN=CC=C1NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 2.491 2 1 -5.41805541709457 2292988 C1=CC(=CN=C1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 2.491 2 1 -5.5975092119001 2292984 C1=CC2=C(C(=C1)NC(=O)C3=CN=CC=C3)N=CC=C2 1 1.65 3 1 0 -8.13806991145326 2292975 COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2F 1 2.803 1 2 -5.63613982338668 2292972 CC1=CC=C(C=C1)NC(=O)C2=CC=CS2 1 3.054 1 1 -4.67258901475421 2292963 C1COCCN1CCCNC(=O)C2=CC=CS2 1 0.88 2 2 0 -10.7639921928254 2292956 C1=COC(=C1)C(=O)NCCCNC(=O)C2=CC=CO2 1 0.747 2 4 0 -7.92809234159703 2292954 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)F 1 1.958 2 2 0 -12.231288869077 2292933 COC1=C(C=C(C=C1)CCNC(=O)C(=O)NCCOC2=CC=CC=C2Cl)OC 1 2.896 2 5 0 -12.3061920203516 2292931 CC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)/C(=O)N2)C 1 4.723 2 5 0 -1.51854786806532 2292924 CN1C(=NN=N1)SCC(=O)NC2=CC=CC=C2OC 1 0.843 5 2 0 -22.7458933027605 2292908 C1CCC(CC1)C(=O)NCC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 3.465 2 2 -7.65441694401979 2292887 CCC1=NC(=NN1)SCC(=O)NC2=NC(=C(S2)C(=O)OCC)C 1 1.992 5 3 0 -16.4512560911342 2292877 C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CN3C4=CC(=C(C=C4)Cl)[N+](=O)[O-])/C(=O)N2 1 3.978 4 4 0 -0.784190099851025 2292858 CCCCC(=O)NC1=NC=C(C=C1)Br 1 2.666 2 1 -10.2096900057885 2292827 CCCOC1=CC=CC(=C1)C(=O)NC2=CN=CC=C2 1 2.32 2 2 -6.34368980314395 2292817 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCNC(=O)C3=CC=C(C=C3)Cl 1 2.203 3 3 -9.58621945210416 2292815 CC1=C(C(=O)OC2=C1C=CC(=C2C)OS(=O)(=O)C)C 1 2.837 0 5 -6.74840050164033 2292777 COC1=C(C(=C(C(=C1)C(=O)NCCOC2=CC=CC=C2)Br)OC)OC 1 3.369 1 5 -9.27458579998581 2292764 CN1C(=O)C(C(=O)N(C1=O)C)(CCC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4 1 2.294 3 5 0 -1.64725820044804 2292757 C1COCCN1C2=CC=C(C=C2)/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CS4 1 2.243 3 4 0 -6.05059192950558 2292741 COC1=C(C=C(C=C1)CCNC(=O)C(=O)NCCOC2=CC=CC=C2)OC 1 2.231 2 5 0 -12.65073050591 2292720 CCC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C 1 2.36 0 5 -10.3463851205855 2292631 C=CCNC(=S)NCC1=CN=CC=C1 1 1.707 3 0 0 -12.8157004782548 2292611 COC1=C(C=CC(=C1)N2CCOCC2)/C=C/3\C(=O)NC(=O)N(C3=O)C4CCCCC4 1 2.762 3 5 0 -4.66267529531544 2292578 C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 3.559 4 4 0 -8.84689178017647 2292569 CCC1=CC(=O)OC2=C1C=CC(=C2C)OS(=O)(=O)C 1 2.846 0 5 -6.32164376808475 2292557 COC1=CC(=C(C=C1)CC2(C(=O)NC(=O)NC2=O)CCC3=CC=NC=C3)OC 1 2.081 3 5 0 -3.17347548875109 2292551 COCCCNC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.506 2 6 0 -25.005772521222 2292548 CC1=C(C=C(C=C1)N2C(=NN=N2)SCCNS(=O)(=O)C3=CC=CC=C3)C 1 3.332 5 2 0 -16.2151331768999 2292535 CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N(C)C 1 3.633 2 2 -7.43012634586072 2292515 CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-] 1 5.753 3 4 0 -1.49703924124886 2292509 CCC1(C(=O)NC(=O)NC1=O)CCC2=CC=NC=C2 1 1.082 3 3 0 -5.20065912242458 2292479 CCCC1=CC(=O)OC2=C1C=CC(=C2C)OS(=O)(=O)C 1 3.303 0 5 -6.04274180996537 2292474 CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CC2=CC=C(C=C2)F 1 4.311 1 2 -5.0031350347182 2292467 CC(=O)NCCOC1=CC(=CC=C1)OCCNC(=O)C 1 0.181 2 4 0 -6.95663484939758 2292448 C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)NCCOC4=CC=CC=C4Cl 1 4.541 1 4 -6.73345998304396 2292444 CCCOC1=C(C2=CC=CC=C2C=C1)C=NN3C=NN=C3 1 2.809 4 1 4.924773969804 2292410 CNC(=S)NC1=CC=CC=C1C2=CC=CC=C2 1 4.03 2 0 -1.4313595838323 2292397 CCCCC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C 1 3.273 0 5 -11.7572548005506 2292386 COC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.849 2 5 0 -14.695537751557 2292369 COC1=C(C=CC(=C1)N2CCOCC2)/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CS4 1 2.227 3 5 0 -3.91522581366458 2292355 COC1=CC(=CC(=C1OC)OC)CC2(C(=O)NC(=O)NC2=O)CCC3=CC=NC=C3 1 2.065 3 6 0 -6.59467413806001 2292320 COCCNC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.443 2 6 0 -24.3721603453683 2292279 CCOC1=CC=C(C=C1)C(=O)/C=C/NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C 1 2.861 4 4 0 -9.25987918183298 2292273 C1=CC=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 4.34 1 4 -15.0948621061976 2292259 COC1=CC2=C(C=C1)N=C(N2)NCCCO 1 0.73 3 2 0 4.05817203421405 2292227 CCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NCC=C)C 1 2.085 4 1 -3.6096628441957 2292177 CC(C)CNC(=O)CN(C1CCCCC1)S(=O)(=O)C2=CC=CC=C2 1 3.056 2 3 -15.8341872972637 2292147 COC1=CC(=C(C=C1)OC)N(CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C 1 2.164 2 5 0 -17.1939537401898 2292139 CC1=CC=C(C=C1)C2=C(N(C3=C([N+]2=O)CCCCC3)[O-])C 1 2.553 2 2 -3.80278846331399 2292128 COC1=CC=CC=C1OCC(=O)NCCSCC2=CC=C(C=C2)Cl 1 3.718 1 3 -12.0149641447235 2292109 COC1=C(C=CC(=C1)CC=C)OCCCCOC2=CC=C(C=C2)C(=O)O 1 4.709 0 5 -7.94942779027751 2292086 COC1=C(C=CC(=C1)CC=C)OCCCOC2=CC=C(C=C2)C(=O)O 1 4.129 0 5 -8.39293478053058 2292082 C1=CC2=C(C(=C1)OCCOCCOC3=C(C=C(C=C3)Br)Cl)N=CC=C2 1 4.914 1 3 -3.4244726712149 2292073 COC1=C(C=CC(=C1)C=O)OCCCOC2=CC=CC=C2C(=O)O 1 2.88 0 6 -9.59292962224761 2292023 CC1=CC=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2 1 3.424 1 2 -6.59578384106735 2292021 COC1=C(C=CC(=C1)CC=C)OCCOCCOC2=CC=CC=C2[N+](=O)[O-] 1 4.2 1 6 0 -11.4221125300262 2292015 CC1=C(C=CC(=C1)C2=C(N(C(=C([N+]2=O)C)C)[O-])C)F 1 1.627 2 2 0 0.766801103667129 2292010 CCC1=CC=CC=C1OCCOC2=C(C=C(C=C2)C)OC 1 4.858 0 3 -3.63486591571648 2291994 CC1=CC=C(C=C1)C(=O)NCCNS(=O)(=O)C2=CC=CC=C2 1 2.084 2 3 -11.6539855682395 2291980 COC1=C(C=CC(=C1)C=O)OCCCOC2=CC=CC=C2C(=O)OC 1 3.106 0 6 -10.318796069428 2291974 COC1=C(C=CC(=C1)C=O)OCCCOC2=CC=C(C=C2)[N+](=O)[O-] 1 3.145 1 6 0 -7.81937042479306 2291961 CC1=C(C=C(C=C1)OCCCOC2=CC=CC3=C2N=CC=C3)C 1 4.666 1 2 -3.185727980977 2291950 CN1C(=NN=C1SCCSC2=NN=C(N2C)C3=CC=CC=C3)C4=CC=CC=C4 1 4.635 6 0 -3.70124136314297 2291924 CC1=CC=C(C=C1)NC(=O)C(=O)NCCOC2=CC=CC=C2Cl 1 3.087 2 3 -10.136324696069 2291919 COC1=C(C=CC(=C1)N2CCOCC2)C=C3C(=O)NC(=O)NC3=O 1 0.697 3 5 0 -5.18232403515052 2291896 CC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C)C 1 2.351 0 5 -9.58893729408888 2291884 C1=CC=C(C=C1)NC(=O)C(=O)NCCOC2=CC=CC=C2Cl 1 2.601 2 3 -10.4613918314548 2291850 CCCOC1=CC=C(C=C1)C(=O)NC2=CN=CC=C2 1 2.32 2 2 -5.36558410839385 2291818 C1CN(CCN1CCC#N)C(=S)C2=CC=C(O2)C3=CC(=CC=C3)Cl 1 4.473 3 1 3.87370300456424 2291810 CC(C)CNC(=O)C(=O)NCCOC=C 1 5.9e-002 2 3 0 -13.7984287527733 2291802 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCOC2=CC=CC=C2 1 1.787 2 4 0 -12.5294598400182 2291797 CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4[N+](=O)[O-] 1 5.753 3 4 0 -3.99712047494278 2291786 COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 3.27 2 5 0 -6.05436970216506 2291702 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C/3\C(=O)N(C(=S)S3)C4=CC(=CC=C4)Cl 1 5.304 3 1 -3.22847830372799 2291672 CC1=CC(=C(C(=C1)C)NC(=O)C(=O)NC)C 1 1.762 2 2 0 -8.5884220665693 2291671 C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=C(C(=CC=C3)O)O)/SC2=S 1 4.146 1 3 2.84003366950704 2291639 COC1=CC=CC=C1OCCCN2C=C(C3=CC=CC=C32)C=O 1 3.767 1 3 -6.23353282175369 2291624 CCC1=CC=C(C=C1)CNC(=O)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.125 2 4 -14.6684475933215 2291593 COC1=CC=CC(=C1)N/C=C/C(=O)C2=CC=C(C=C2)Br 1 3.775 1 2 0.62670901430348 2291569 COC1=CC(=C(C=C1)OC)N/C=C/C(=O)C2=CC=CC=C2 1 3.01 1 3 -1.45063831529755 2291549 C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3Cl)C(=O)O 1 3.102 4 4 0 -21.3457656422964 2291544 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 3.639 3 2 -15.9655485929899 2291523 CC1=C(C(=CC=C1)C)NC(=O)C(=O)NCCCN2CCOCC2 1 1.165 3 3 0 -14.201774909144 2291499 C=CCNC(=O)C(=O)NCCCN1CCOCC1 1 -0.767 3 3 0 -16.3977601545597 2291466 CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OCCO3 1 3.884 2 4 -14.897344009434 2291413 CC(C)NC(=O)C(=O)NCCCOC(C)C 1 0.111 2 3 0 -20.2272052045632 2291402 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)/C=C/NCC3=CN=CC=C3 1 3.14 2 1 0.806699277462178 2291210 COC1=CC=CC=C1NC(=O)C(=O)NCC2=CC=CC=C2Cl 1 2.535 2 3 -13.9921541613755 2291187 CCOC1=CC=C(C=C1)C2C(=CN(C=C2C(=O)OC)CCOC)C(=O)OC 1 1.581 1 6 0 -11.8231351713182 2291143 CCOC(=O)C1=CC=CC=C1N/C=C/C(=O)C2=CC=CC=C2 1 3.247 1 3 -5.86632700749691 2291142 CCN1C(=O)/C(=C\C2=C(N(C(=C2)C)C3=C(C4=C(S3)CCCC4)C(=O)OCC)C)/C(=O)NC1=O 1 3.96 3 5 0 -15.0185964192765 2291134 CC(C)CNC(=O)C(=O)NC1CCCC1 1 1.321 2 2 0 -12.0631967192964 2291128 COC1=C(C=C(C=C1)CCNC(=O)C(=O)NC2=CC3=C(C=C2)OCO3)OC 1 1.944 2 6 0 -17.0604253124588 2291125 CCCC1=CC(=O)N=C(N1)SCCOC2=CC=C(C=C2)Cl 1 4.244 2 2 -8.75643666379191 2291103 CC(C)CCNC(=O)C(=O)NCCC1=CCCCC1 1 2.635 2 2 -15.768255836257 2291099 C1COCCN1CCCNC(=O)C(=O)NCC2=CC=CC=C2 1 0.2 3 3 0 -13.1841767221629 2291097 C/C(=C\C(=O)C1=CC=C(C=C1)Br)/N2CCCCC2 1 3.903 1 1 -0.75874763678922 2291052 COC1=CC=C(C=C1)C(=O)/C=C/NC2=CC(=CC=C2)O 1 2.784 1 3 2.43642750861207 2291046 CC(C)CCNC(=O)C(=O)NC1CCCC1 1 1.71 2 2 0 -16.2221912194472 2291042 C1=CC=C(C=C1)OCCSC2=NC(=CC(=N2)N)N 1 2.331 4 1 -3.68081725958324 2291002 C1=CC=C2C(=C1)C=CC=C2OCCSC3=NC(=O)C4=CC=CC=C4N3 1 4.571 2 2 -8.06454016366552 2290999 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C/3\C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(F)(F)F 1 5.582 3 1 -2.03862217757981 2290952 C1CCC(CC1)N(CC(=O)NCCCO)S(=O)(=O)C2=CC=C(C=C2)F 1 1.593 2 4 0 -12.7192432984396 2290932 CC1=CC=C(C=C1)CN/C=C/C(=O)C2=CC=C(C=C2)OC 1 3.241 1 2 -0.14887970674557 2290919 CC1=C(C=C(C=C1)N/C=C/C(=O)C2=CC=CC=C2)C 1 4.015 1 1 -0.725931498874886 2290906 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCOC)C2CCCCC2 1 2.282 2 4 -18.0496489398532 2290868 CCCOC1=C(C2=C(C=C1)C3=C(CCC3)C(=O)O2)OCCC 1 4.589 0 4 -5.33994258815736 2290834 COC1=CC=C(C=C1)N/C=C/C(=O)C2=CC=C(C=C2)Cl 1 3.691 1 2 2.10932167384596 2290784 COC1=CC=C(C=C1)OCCSC2=NC(=O)C=C(N2)C3=CC=CC=C3 1 3.818 2 3 -9.19327631380123 2290699 CCCOC1=CC=C(C=C1)C(=O)CCNC2=CC(=CC=C2)Cl 1 4.663 1 2 1.40841635974489 2290688 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 1.978 3 6 0 -21.4003529365118 2290684 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NO)OC 1 3.261 1 5 -7.73151503221272 2290683 CCCCOCCCNS(=O)(=O)CC1=CC=CC=C1 1 2.008 1 3 -12.2924247341914 2290681 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSCC2=CC=CO2)C3=C(C=CC(=C3)C)C 1 4.421 2 4 -17.3107015486731 2290638 CCOC(=O)CC1=C(N2C(=C(C=N2)C3=CC(=CC=C3)Br)N=C1C)C 1 3.174 3 2 -8.16601853775934 2290633 CC(C)(C)SCCNC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 1 3.128 2 3 -20.2396340602839 2290624 CC(C)(C)SCCNC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C 1 1.757 2 3 0 -17.5454672258758 2290622 CC(C)OC(=O)CCC(=O)NC1=NC2=CC=CC=C2S1 1 2.373 2 3 -11.2463426583706 2290599 C1CN(CCN1C2=CC=CC=C2)C(=O)CCCOC3=CC=CC=C3 1 3.278 2 2 -4.58149821377636 2290586 CC(C)(C)SCCNC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC=C2 1 3.276 2 3 -16.2216013770616 2290585 C=CCOC1=C(C=C(C=C1)C=NO)Cl 1 2.921 1 2 -2.56472273472189 2290548 C1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)Br 1 3.767 1 2 -6.73564363065349 2290525 COCC(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC 1 0.397 1 6 0 -10.71774302347 2290503 CCCCOCCCNC(=O)C1=CC2=C(C=C1)OCO2 1 2.066 1 4 -13.2623414924208 2290501 CS(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)F)C3=CC(=CC=C3)Cl 1 2.712 3 3 -6.2203076269346 2290474 CC1=C(C=C(C=C1)N/C=C/C(=O)C2=CC=CC=C2)Br 1 4.277 1 1 1.14799615441407 2290468 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 3.31 4 4 0 -14.8779308126105 2290457 CC(C)NC(=O)C(=O)NCCC1=CC=C(C=C1)Cl 1 2.023 2 2 -13.0128530871695 2290454 C1=CC=C(C=C1)NC(=S)NCCSCC2=CC(=C(C=C2)Cl)Cl 1 6.038 2 0 -8.51435981038318 2290414 CC1=C(C=CC(=C1)Cl)OCC(=O)NCCOC(=O)NC2=C(N(C(=S)S2)C)C 1 4.227 3 4 0 -10.0505543433939 2290403 C#CCN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)NC(=O)N3 1 2.428 3 2 -8.1945121542819 2290400 CC1=CC(=C(C=C1)C(=O)COC(=O)CSC2=CC=CC3=C2N=CC=C3)C 1 4.493 1 3 -8.4292078200466 2290392 CCN(CC)C(=S)SCC(=O)NC1=CC=CC(=C1)C(F)(F)F 1 4.48 2 1 -5.76195352721531 2290378 C1CCC2=C(N=C(C(=C2C1)C#N)NCCN)C3=CC=CC=C3 1 3.064 4 0 -0.633162295364086 2290376 CCOC(=O)CN1C(=O)/C(=C\C2=C(N(C(=C2)C)C)C)/SC1=O 1 1.794 2 4 0 -8.07530042656287 2290357 CC1=C(C=C(C=C1)OCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C 1 4.207 2 3 -8.81922663397169 2290345 CCCCOCCCNC(=O)C1=CC=C(C=C1)OC 1 2.281 1 3 -11.307026094365 2290279 CC1=CC(=CC(=C1)N2C(=CC(=C2C)C(=S)N3CCOCC3)C)C 1 4.494 2 1 -6.30873379244279 2290267 C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)OCC(C(F)F)(F)F)C(F)(F)F)Cl 1 5.209 1 2 -5.76610210519678 2290248 CCCCOCCCNC(=O)C1=CC=CC=C1OCC 1 2.63 1 3 -13.3469632001694 2290230 C1=CC(=CC=C1C=C2C(=O)NC(=O)NC2=O)OCCOC3=CC=C(C=C3)[N+](=O)[O-] 1 2.374 3 7 0 -9.25100541795069 2290132 C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OCC(C(F)F)(F)F)C(F)(F)F 1 4.545 1 2 -8.38374836329294 2290111 CCN(CC)C(=S)SCC(=O)C1=CC=C(C=C1)Br 1 4.906 1 1 -5.19524480199594 2289888 CC1=C(C=C(C(=O)N1)C(=O)OC)C(=O)C 1 -0.305 1 4 0 -9.70856797854613 2289838 COC1=C(C=CC(=C1)C=NN2C=NN=C2)OCCOC3=CC=CC=C3 1 2.644 4 3 0 -3.93682463390438 2289800 COC1=CC=CC=C1N(CC(=O)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.845 2 4 -16.5356507937631 2289798 CC(C)(C)SCCNC(=O)CN(C1=CC=CC=C1OC)S(=O)(=O)C 1 1.535 2 4 0 -21.7971872450904 2289770 C1=CC(=CC=C1C(=O)COC(=O)CSCC2=CNC(=O)NC2=O)Br 1 1.208 2 5 0 -20.8481267650697 2289761 CC1=CC(=CC=C1)CSCCNC(=O)CCSC2=CC=CC=C2 1 4.363 1 1 -10.9695817450887 2289748 CCCCOCCCNC(=O)C1CCCCC1 1 2.76 1 2 -11.7982656099535 2289740 CC1=C(C=CC(=C1)Br)NC(=O)CCCOC2=CC=CC=C2 1 4.254 1 2 -9.51928160044618 2289699 CCCOC1=CC=C(C=C1)N/C=C/C(=O)C2=CC(=C(C=C2)OC)OC 1 3.866 1 4 -5.69726942824347 2289694 C1=CC=C(C=C1)SCCNC(=O)C2=CN=CC=C2 1 2.077 2 1 -8.59568468030376 2289680 CC1=CC(=CC=C1)CSCCNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-] 1 4.016 2 3 -12.9528040072464 2289673 CC(=O)N1C=C(C2=CC=CC=C21)N(C3=CC=C(C=C3)Cl)C(=O)C 1 3.68 2 2 2.9955087521734 2289671 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCOC2=CC=CC=C2 1 2.897 2 5 0 -11.555974425358 2289653 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NCCSCC3=CC=CO3 1 3.117 2 4 -14.6698439621463 2289633 C1CCCC(CC1)NC(=O)C(=O)NC2CCCC2 1 2.444 2 2 -7.12719534241942 2289625 CCOC(=O)CN1C(=O)/C(=C\C2=CC=C(O2)N3CCCCC3)/SC1=O 1 2.803 2 5 0 -4.38887893403263 2289617 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC(=C(C=C3)O)[N+](=O)[O-])/SC2=O)C 1 3.409 3 6 0 -4.54032099305507 2289581 CC1=CC=C(C=C1)OCCNC(=O)/C=C/C2=CC=C(C=C2)OC 1 3.607 1 3 -6.63047248959693 2289522 CCOC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 1 0.53 4 5 0 -10.968102327427 2289519 CC(C)(C)C1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.493 4 4 0 -7.46446275709233 2289515 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 0.922 4 5 0 -8.74693255444056 2289505 CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 5.785 2 3 -11.5102462657491 2289502 C1=COC(=C1)CSCCNC(=O)CSCC2=CC=C(C=C2)Cl 1 3.482 1 2 -8.80679766261327 2289498 CC(C)(C)SCCNC(=O)CN(C1=C(C=C(C=C1)OC)OC)S(=O)(=O)C 1 1.519 2 5 0 -19.7358229273132 2289451 COCC(=O)NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.805 3 6 0 -14.915749517582 2289445 CC1=CC=C(C=C1)OCCNC(=O)C2=CC=CC=C2O 1 2.914 1 3 -3.18859916307721 2289398 COC1=CC=C(C=C1)/C=C/C(=O)NCCOC2=CC=CC=C2OC 1 3.105 1 4 -9.93846733892284 2289395 CC1=CC(=CC=C1)CSCCNS(=O)(=O)C2=CC(=C(C=C2)OC)Br 1 4.156 1 3 -5.7480410359281 2289387 CC1=CC(=CC=C1)CSCCNC(=S)NC2=CC=CC=C2 1 5.195 2 0 -9.34130071256553 2289386 CC(C)(C)SCCNC(=O)C1=CC=C(C=C1)CN2CCC3=CC=CC=C3C2 1 4.314 2 1 -11.8835969292207 2289365 CCCCC1=NC(=NN1)SCC(=O)NC2=NOC(=C2)C 1 2.268 5 2 0 -19.1978389322809 2289348 CCCCOCCCNC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 3.558 1 3 -13.9014156635483 2289303 COC1=C(C=C(C=C1)Cl)NC(=O)C(=O)NC2CCCCCC2 1 3.266 2 3 -9.31933966925613 2289294 CC1=CC=C(C=C1)SCC(=O)NCCSC(C)(C)C 1 3.462 1 1 -10.5373442028709 2289263 CC1=CC(=CC=C1)OCCNC(=S)NC(=O)C2=CN=CC=C2 1 2.879 3 2 -10.8860399896509 2289224 CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3=CC=CC=C3 1 3.117 2 4 -14.3572291457145 2289178 CC1=CC=C(C=C1)CSCCNC(=O)C2=CC=CC=C2 1 3.721 1 1 -9.23593746390431 2289161 C1=CC2=C(C(=C1)OCCOC3=CC=C(C=C3)Br)N=CC=C2 1 4.38 1 2 -3.41034116136832 2289157 CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3)[N+](=O)[O-] 1 4.172 4 6 0 -14.7671188321497 2289132 CC1=CC=C(O1)C2=C(N(C3=C([N+]2=O)CCCCC3)[O-])C 1 1.608 2 3 0 -3.88180702876 2289107 CC1=CC(=C(C=C1)OCCOC2=C(C=CC(=C2)C)Cl)OC 1 5.066 0 3 -2.55309672442594 2289104 CC1=C([N+](=O)C2=C(N1[O-])CCCCC2)C3=CC=CS3 1 2.02 2 2 -6.8680572897539 2289101 CC1=C(C=C(C=C1)C(=O)NCCSC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 4.273 2 3 -7.50460548164833 2289088 CCOC1=CC(=CC=C1)OCCCOC2=CC=CC=C2 1 3.84 0 3 -0.626472269397541 2289051 CCOC1=CC=CC=C1OCCCOC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 4.399 1 5 -3.01872780180166 2289039 COC1=CC=CC=C1OCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.833 0 4 -5.98113633365007 2289022 C/C=C/C1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2)C=O)OC)OC 1 4.126 0 5 -7.34551662543536 2289004 C1=CC=C(C(=C1)OCCOCCOC2=CC=CC3=C2N=CC=C3)Br 1 4.249 1 3 -4.93282153037347 2288969 COC1=CC=C(C=C1)CCNC(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C 1 1.862 2 6 0 -19.2331124955261 2288967 CCOC1=CC(=CC=C1)OCCOC2=CC=CC=C2[N+](=O)[O-] 1 3.672 1 5 -4.38326703858256 2288896 C1=CC=C(C(=C1)[N+](=O)[O-])OCCCOC2=CC=CC3=C2N=CC=C3 1 3.588 2 4 -7.08245302908297 2288863 C1=CC=C(C(=C1)[N+](=O)[O-])OCCOCCOC2=CC=CC3=C2N=CC=C3 1 3.395 2 5 0 -9.24380398427715 2288851 CCOC1=CC=CC=C1OCCOC2=CC=CC=C2OC(C)C 1 4.488 0 4 -4.69772850296578 2288845 CC1=CC=C(C=C1)C(=O)NCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.978 3 5 0 -16.6917137897937 2288824 CCN(CC)C(=S)SCC(=O)NC1=CC=C(C=C1)F 1 3.744 2 1 -9.41588909137479 2288823 C1=CC=C(C=C1)OCCCC(=O)N2C3=CC=CC=C3N=N2 1 3.493 3 2 -4.83768133605225 2288767 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCSCC3=C(C=C(C=C3)Cl)Cl 1 4.053 1 4 -8.11864959933593 2288744 CC1=C(C(=O)NC(=O)N1)CSCC(=O)OCC(=O)C2=CC=C(C=C2)Br 1 1.722 2 5 0 -24.7242995023386 2288717 CCOC1=C(C=CC(=C1)C=NO)OS(=O)(=O)C2=CC=C(C=C2)C 1 3.61 1 5 -8.6246303042598 2288692 CC1=CC(=CC=C1)CSCCNC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3 1 4.415 2 3 -15.136004639377 2288639 C1=CC(=CC=C1N2C(=O)/C(=C\C3=COC=C3)/C(=O)NC2=S)F 1 2.855 2 3 -3.43957439526929 2288628 CC1=CC(=CC=C1)CSCCNC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 3.482 2 2 -8.51874552562559 2288580 CCC1=CC=CC=C1N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C 1 2.328 2 4 -18.9647898394251 2288571 C1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 2.962 2 4 -18.1312495092616 2288493 COC1=C(C(=CC(=C1)C=NO)Cl)OCC=C 1 2.905 1 3 -4.5062131386918 2288502 CC(C)(C)SCCNC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC=C2 1 3.333 2 3 -18.7325254844226 2288500 COCCNC(=O)/C(=C/C1=CC=CC=C1Cl)/C2=CC=CC=C2 1 3.518 1 2 -9.78217748369773 2288424 CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)N 1 4.407 2 1 -2.10295305646496 2288415 COC1=C(C=C(C=C1)CCNC(=O)/C=C\C2=CC=CC=C2)OC 1 3.377 1 3 -10.3904426435498 2288411 CCOC(=O)/C(=C/C=C/C1=CC=CC=C1)/NC(=O)C2=CC=CC=C2 1 3.458 1 3 -7.67953215563131 2288388 CCN(CC)CCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=CC=C3 1 2.6 4 2 -14.4374855958458 2288386 CCN(CC)CCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=CC=C3 1 2.635 4 2 -17.7141005724944 2288289 C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC=CO3)/C(=O)NC2=O 1 2.049 2 4 -2.31721608089933 2288252 CN1C(=O)C(C(=O)N(C1=O)C)(CCC2=CC=NC=C2)CCC3=CC=NC=C3 1 1.832 4 3 0 -2.6278084549625 2288249 CCOC1=CC=C(C=C1)N2C(=O)CC(=O)NC2=O 1 1.067 2 4 0 -7.83458720646366 2288230 CS(=O)(=O)NCCSCC1=CC=CO1 1 0.543 1 3 0 -4.74652941241426 2288220 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCSCC2=CC=CO2 1 2.797 2 4 -9.09519159462037 2288214 C#CCOC1=C(C=C(C=C1)Br)C=NO 1 3.58 1 2 4.31197031220648 2288188 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCSCC2=C(C=C(C=C2)Cl)Cl 1 4.944 2 3 -8.76062357032405 2288185 COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)OCC(C(F)F)(F)F)C(F)(F)F)OC 1 4.512 1 4 -12.2236342503952 2288184 CCOC1=C(C(=CC(=C1)C=NO)Br)OCC#C 1 3.913 1 3 -1.39800613494441 2288180 CC(C)(C)SCCNC(=O)COC1=CC=C(C=C1)Cl 1 3.082 1 2 -8.72257113401987 2288121 C1=CC=C(C=C1)CCCC(=O)NCCC2=CC=C(C=C2)F 1 4.095 1 1 -10.9537820511853 2288113 COC1=CC(=C(C=C1)NC(=O)C(=O)NCCC2=CCCCC2)OC 1 2.599 2 4 -17.3824114385237 2288093 COC1=C(C=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)F)[N+](=O)[O-])OC 1 3.009 2 5 0 -11.2398464591602 2288090 COC1=CC(=C(C=C1)OC)NC(=O)C(=O)NCCC2=CCCCC2 1 2.599 2 4 -15.4750435598568 2288079 CCN(CC)C(=S)SCC(=O)C1=CC=C(C=C1)F 1 4.363 1 1 -4.84870672201607 2288073 CC1=CC=C(C=C1)S(=O)(=O)NCCSC(C)(C)C 1 2.772 1 2 -6.37218121890113 2288058 CCOC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 0.785 3 5 0 -10.0392264067635 2288052 CC1=C(C=C(C=C1)OCC(=O)NCCO)C 1 1.306 1 3 0 -8.67519975440855 2288033 C1=CC(=CN=C1)CNC(=O)CC2=CC=C(C=C2)F 1 1.711 2 1 0 -10.5660728293001 2288026 C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3 1 4.575 1 2 -6.77337477218595 2288018 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCC2=CC=C(C=C2)OC)C3=CC=CC=C3OC 1 3.941 2 5 0 -19.1514339690641 2288011 CC(C)(C)SCCNC(=O)CSCC1=CC=C(C=C1)[N+](=O)[O-] 1 2.878 2 3 -16.8230053340505 2287969 COC1=CC=CC(=C1)N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 2.946 2 5 0 -17.6478355726664 2287964 CCCCOCCCNC(=O)CN1C(=O)C2=CC=CC=C2C1=O 1 1.182 2 4 0 -15.5010979700649 2287929 CCOC(=O)C1=CC(=CC=C1)N/C=C/C(=O)C2=CC(=C(C=C2)OC)OC 1 3.214 1 5 -10.4672224170559 2287921 COC1=C(C=C2CCCCC2=C1)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 5.64 1 2 -14.9118403801212 2287878 C1=CC=C(C=C1)SCCC(=O)NCCSCC2=CC=CO2 1 3.058 1 2 -9.94679393175087 2287873 C1=CC=C(C=C1)OCCCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.052 2 4 -17.3624014143632 2287872 C1=CC=C(C=C1)CCCNC(=O)C2=CC=CC=C2O 1 3.157 1 2 -5.12299578600302 2287870 COC(=O)C1=CC=C(C=C1)OCCOC2=CC=CC=C2 1 3.301 0 4 -3.89458240620826 2287862 CC1=CC=C(C=C1)S(=O)(=O)NCCOC(=O)NC2=C(N(C(=S)S2)C)C 1 3.43 3 4 0 -11.001155497484 2287859 CC(C)(C)SCCNC(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-] 1 2.945 2 3 -10.7279379798925 2287854 CC1=CC(=CC=C1)N(CC(=O)NCCOC2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3 1 3.685 2 5 0 -20.5615683124554 2287824 C1=CC=C(C=C1)CC(=O)NCCSCC2=CC=CO2 1 2.452 1 2 -9.56088704633409 2287823 CS(=O)(=O)N(CC(=O)NCCSCC1=CC=CO1)C2=CC=C(C=C2)Cl 1 2.05 2 4 -14.2295667832071 2287814 C1=CC=C(C=C1)CCC(=O)NCCC2=CC=C(C=C2)F 1 3.639 1 1 -11.5435576988996 2287770 CC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.934 2 4 -17.1689330353221 2287752 CC(C)(C)SCCNC(=O)/C=C/C1=CC=C(C=C1)F 1 3.256 1 1 -7.92166316707006 2287748 CCCCOCCCNC(=O)C1=CC=C(C=C1)NC(=O)C 1 1.418 2 3 0 -14.7958536212166 2287735 COC1=C(C(=CC(=C1)C=NO)Cl)OCC#C 1 3.48 1 3 -1.55638133518216 2287730 CC1=C(C=CC(=C1)Cl)OCCCC(=O)N 1 2.387 1 2 0.412991608336401 2287726 CCCCOCCCNC(=O)C1=CC=CS1 1 2.251 1 2 -12.3388818976883 2287720 C1=CC=C(C=C1)NC(=S)NCCSCC2=C(C=C(C=C2)Cl)Cl 1 6.038 2 0 -7.98394487493142 2287703 CCOC(=O)COC1=CC=CC=C1/C=C\2/C(=O)NC(=O)N2 1 0.776 2 5 0 -15.5632968653613 2287633 CCOC(=O)CN1C(=O)/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)/SC1=O 1 3.703 1 7 0 -2.3351631699139 2287620 CCCCN(CC)C(=O)CC1=CC=CC=C1OC 1 2.939 1 2 -11.3902685887838 2287613 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NCCSCC3=CC=CO3 1 3.782 2 4 -11.9356361402551 2287610 CCOC1=CC=C(C=C1)N(CC(=O)NCCOC2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC=C3 1 4.034 2 5 0 -18.0640535541261 2287571 C1CCC(=CC1)CCNC(=O)C(=O)NCC2=CC=NC=C2 1 1.488 3 2 0 -13.1959853183254 2287569 CCOC1=CC=C(C=C1)N/C=C/C(=O)C2=CC(=C(C=C2)OC)OC 1 3.342 1 4 -6.15225821225669 2287547 CC1=CC(=CC(=C1)N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C)C 1 2.358 2 4 -16.353205519497 2287544 CC(C)C1=CC=C(C=C1)N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)C 1 2.746 2 3 -17.9738845546894 2287526 CC(C)C1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C 1 2.58 2 4 -15.7681057771423 2287500 COC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)[N+](=O)[O-])OC 1 1.706 5 7 0 -16.253369097708 2287490 CC1=C(SC(=S)N1C)NC(=O)OCCSC2=NC(=NC(=N2)N(C)C)N(C)C 1 3.338 7 2 0 -11.938643398425 2287439 C#CCOC1=C(C=C(C=C1)Cl)C=NO 1 3.496 1 2 4.63452323325467 2287410 CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)Cl 1 4.602 3 3 -6.4224863480669 2287344 CC1=CC=CC=C1OCCNC(=O)C2=CC=CC=C2SC 1 3.698 1 2 -12.02770053178 2287342 CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.539 3 5 0 -23.5316561674904 2287327 C/C(=C\C1=CC=CO1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O 1 2.838 1 4 -10.4634510279337 2287290 CCCCOCCCNC(=O)C1=CC=C(C=C1)OCC 1 2.63 1 3 -11.8549499428658 2287281 C1COCCN1CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=CO3 1 2.178 2 3 -7.36078515879126 2287257 CCOC1=CC=C(C=C1)N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)C3=CC=CC=C3 1 4.243 2 4 -21.2849218708908 2287255 CC1=C(SC(=S)N1C)NC(=O)OCCNC(=O)COC2=C(C=CC=C2Cl)Cl 1 4.405 3 4 0 -13.4115862227994 2287238 C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)/SC2=S 1 6.13 1 4 -3.4029691854661 2287211 CC(C)CC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.63 5 3 0 -13.2051040697596 2287198 CC1=CC(=CC=C1)CSCCNC(=O)CN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C 1 3.662 2 3 -17.9804498407276 2287166 C1CC2=CC=CC=C2N(C1)C(=O)CCCOC3=CC=CC=C3 1 3.756 1 2 -10.0076315687064 2287069 CC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.654 2 4 -15.6307370676393 2287035 C#CCOC1=C(C=C(C=C1)C=NO)Cl 1 3.496 1 2 -1.01210296490772 2287019 COC1=C(C=C(C=C1)N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3)Cl 1 3.61 2 5 0 -19.2941423861257 2287010 COC1=CC=CC=C1N(CC(=O)NCCSCC2=CC=CC=C2Cl)S(=O)(=O)C 1 2.852 2 4 -22.0701745404208 2286978 CCOC1=CC=C(C=C1)N(CC(=O)NCCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 4.026 2 4 -17.0855925416917 2286949 COC1=CC=CC=C1N(CC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C 1 2.187 2 4 -22.189202864269 2286915 CC1=C(C=C(C=C1)OCC(=O)NCCOC)C 1 1.714 1 3 0 -11.6409815616176 2286888 C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O 1 4.797 2 4 -16.2224153553878 2286863 CC(C)NC(=O)C(=O)NC1CCCCCC1 1 1.768 2 2 0 -14.5221551454709 2286858 CC1=CC(=CC=C1)CSCCNC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3 1 4.25 2 4 -21.7121888109764 2286849 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSCC2=CC=CO2)C3=C(C=CC(=C3)C)OC 1 3.918 2 5 0 -17.5380305212133 2286843 CC1=CC(=CC=C1)N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 3.448 2 4 -17.2240369782678 2286812 C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=C(C=C3)C(=O)O)O 1 4.555 2 5 0 -13.8838906409303 2286779 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSCC2=CC=CO2)C3=CC=C(C=C3)F 1 3.654 2 4 -15.6307370676393 2286771 CCCCN(CC)C(=O)C1=CC2=C(C=C1)OCO2 1 2.689 1 3 -10.4409025283745 2286755 COCCCNC(=O)CN(C1=C(C=CC(=C1)C(F)(F)F)Cl)S(=O)(=O)C 1 1.545 2 4 0 -15.9079599801309 2286744 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCCSCC3=C(C=C(C=C3)Cl)Cl 1 4.8 1 3 -7.99719914335103 2286728 CCCCN1C=C(C2=CC=CC=C21)SCC(=O)O 1 3.681 1 2 -13.2884924780236 2286724 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCCOC3=CC=CC=C3 1 3.483 2 2 -3.31528653112063 2286723 CC1=CC=CC=C1N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C 1 1.872 2 4 0 -19.4034364633123 2286720 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)OC(=O)C3=CC=CS3 1 4.246 1 6 0 -19.8308752866981 2286640 COC1=CC(=C(C=C1)OC)N/C=C/C(=O)C2=CC(=C(C=C2)OC)OC 1 2.977 1 5 -5.77527018218621 2286635 COC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 2.946 2 5 0 -17.7489841680097 2286623 CCOC1=C(C(=CC(=C1)C=NO)Br)OCC=C 1 3.337 1 3 -4.34783793845405 2286593 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C=NO)OC 1 4.009 1 5 -3.83460347339013 2286569 CC1=CC(=C(C=C1)C(C)C)OCCNC(=O)C2=CC=CC=C2O 1 4.108 1 3 -2.11194775584334 2286565 CC1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3)C 1 3.766 2 3 -6.26877262258187 2286547 CCOC(=O)CN1C(=O)/C(=C\C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)/SC1=O 1 3.401 1 7 0 -8.84163751047138 2286504 CC1=C(C=CC(=C1)Cl)OCCNC(=S)NC(=O)C2=CN=CC=C2 1 3.543 3 2 -7.78425264582201 2286451 COC1=CC=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CN=CC=C3 1 2.764 3 3 -13.5252447051579 2286385 COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(=S)N3CCOCC3)OC 1 3.457 1 6 0 -17.1221975345298 2286376 C1CCC(CC1)CC(=O)NCCCN2CCOCC2 1 1.634 2 2 0 -15.660705913702 2286360 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC=CC(=C4)C(=O)O)C)/SC2=O 1 4.067 3 5 0 -10.5117759974547 2286331 CC1=CC(=CC=C1)CSCCNC(=O)NC2=CC=CC=C2 1 3.629 2 1 -7.52912153079659 2286301 C1COCCN1C(=O)/C(=C/C2=CC=CC=C2Cl)/C3=CC=CC=C3 1 3.542 1 2 -7.7687970740784 2286266 C1COCCN1C(=S)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.384 2 6 0 -16.900438362983 2286253 CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.717 2 7 0 -20.8405421558153 2286243 C1COCCN1C(=S)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl 1 4.154 1 4 -12.0090169629229 2286206 C1=CC=C(C=C1)/C=C/C=NNS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.41 2 2 5.31215741536791 2286174 CCN(CC)C(=O)CN1C=NC2=CC=CC=C2C1=O 1 0.919 3 2 0 -12.8654941537889 2286001 C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C=NN3C=NN=C3 1 2.66 4 2 -0.579390386322784 2285974 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)NCCOC 1 2.984 4 2 -16.4704792048139 2285764 CC1=CC(=C(C=C1)OCCCOC2=CC=CC=C2C(=O)OC)OC 1 3.833 0 5 -6.03382608713859 2285732 CC1=CC(=C(C=C1)OCCOCCOC2=CC=CC(=C2)OC)[N+](=O)[O-] 1 3.679 1 6 0 -3.21237336415637 2285721 CC1=CC(=C(C=C1)OCCOCCOC2=C(C=C(C=C2)CC=C)OC)[N+](=O)[O-] 1 4.686 1 6 0 -9.36951494333664 2285718 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.3 2 8 0 -9.40292118981948 2285716 CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-] 1 1.778 3 7 0 -23.3772724403557 2285710 COC1=C(C=CC(=C1)C=O)OCCOCCOC2=CC=C(C=C2)Cl 1 3.722 0 5 -6.06432490204319 2285676 CCOC1=CC=CC=C1OCCCOC2=C(C=C(C=C2)C)Cl 1 4.991 0 3 0.269512996422218 2285660 CCCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)CCC#N)F 1 3.483 3 1 -6.19534893959008 2285658 COC1=CC(=CC=C1)OCCOC2=CC=CC=C2[N+](=O)[O-] 1 3.323 1 5 -3.74752692653311 2285634 C1=CC=C(C=C1)SCCNC(=O)C2=CC=C(C=C2)Br 1 3.976 1 1 -6.14979069809862 2285621 CC1=CC=CC=C1C(=O)NCCSCC2=CC=CC=C2 1 3.721 1 1 -12.5827133297586 2285607 CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=CC=C2OC)[N+](=O)[O-] 1 2.641 2 7 0 -23.6480265025227 2285548 CS(=O)(=O)N(CC(=O)NCCSC1=CC=CC=N1)C2=CC=C(C=C2)F 1 1.791 3 3 0 -18.9425294350324 2285512 CCOC(=O)C\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)N(C)C)C3=CC=CC=C3 1 3.547 3 3 -10.034281231067 2285482 C1CCC(CC1)CC(=O)NC2CCCC2 1 3.147 1 1 -11.4797077416684 2285453 COC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)/SC2=S 1 6.113 1 5 -3.00112048983064 2285426 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C=O)OC 1 1.828 1 6 0 -17.0670084304034 2285404 CC(C)(C)SCCNC(=O)C1=CC=CC=C1 1 2.583 1 1 -9.82714974651768 2285391 CC1=CC(=CC=C1)CSCCNC(=O)COC2=CC=C(C=C2)Cl 1 4.221 1 2 -7.53958016981055 2285382 COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.368 2 7 0 -19.9474268837683 2285312 COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.368 2 7 0 -19.3551944128927 2285251 COC1=C(C=CC(=C1)C=O)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.602 1 7 0 -15.6494738763681 2285249 C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(N2)C=CC=N3 1 2.117 4 1 -13.0051806638006 2285157 CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC(=O)NC3=CC(=C(C=C3)C)Cl 1 4.321 3 3 -16.0934653776102 2285131 CC1=CC(=NO1)NC(=O)CCCN2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/SC2=S 1 3.359 3 5 0 -27.0796622124522 2285121 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=C(O3)C4=C(C(=CC=C4)C(=O)O)C)/SC2=O 1 4.591 2 6 0 -4.22447228940825 2285069 CCOC(=O)CN1C(=O)/C(=C\C=C\C2=CC=C(C=C2)N(C)C)/SC1=O 1 2.834 2 4 -2.88990577846923 2284996 COCCCNC(=O)CN(C1=CC(=C(C=C1)Cl)Cl)S(=O)(=O)C 1 1.267 2 4 0 -19.3757200043054 2284919 CC1=C(C=C(C=C1)C(=O)NCCSCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] 1 4.944 2 3 -10.4630272618786 2284918 CC1=CC=C(C=C1)C(=O)NCCSC(C)(C)C 1 3.069 1 1 -9.03150217900834 2284913 COC1=CC=CC=C1N(CC(=O)NCCC2=CC=CC=C2)S(=O)(=O)C 1 1.895 2 4 0 -19.9542928432993 2284898 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCSCC2=CC=CO2 1 1.24 2 4 0 -8.90437947032096 2284890 CCCCC(=O)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC=N3)C 1 3.511 3 2 -3.46372582783528 2284863 COC1=C(C=C(C=C1)C=O)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.602 1 7 0 -15.0572414054925 2284838 CC1=C(C=C(C=C1)OCCCOC2=C(C=C(C=C2)CC=C)OC)C 1 5.472 0 3 -5.43468064865786 2284831 CC(=O)C1=CC=CC=C1OCCCCOC2=CC=CC=C2OC 1 3.811 0 4 -7.61134107815986 2284813 C1=CC=C(C=C1)/C=C/C(=O)NCCSCC2=CC=C(C=C2)Cl 1 4.367 1 1 -6.39227303641947 2284803 CC(C)OC1=CC=CC=C1OCCCOC2=CC=CC3=C2N=CC=C3 1 4.404 1 3 -6.9546941501308 2284785 CC1=CC(=C(C=C1)OCCOCCOC2=CC=CC3=C2N=CC=C3)Br 1 4.735 1 3 -4.81524434368788 2284782 C1=CC2=C(C(=C1)OCCCOC3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2 1 3.588 2 4 -5.50566384608224 2284757 CCOC1=CC=CC=C1N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.98 3 4 0 -24.0814797353712 2284739 C/C=C/C1=CC(=C(C=C1)OCCCCOC2=CC=CC=C2C(=O)C)OC 1 4.765 0 4 -8.21177055798351 2284730 CC1=CC=C(C=C1)SCCNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 4.076 2 3 -7.28840021915209 2284726 C/C=C/C1=CC(=C(C=C1)OCCOC2=CC=C(C=C2)C=O)OC 1 4.142 0 4 -6.8808851875653 2284724 C1=CC=NC(=C1)SCCNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.945 2 1 -6.85229885897337 2284706 C1=CC=C(C=C1)SCCNC(=O)C2=CC=CC=C2Cl 1 3.892 1 1 -7.45281478020174 2284683 COC1=CC=CC(=C1)N(CC(=O)NCCSCC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.852 2 4 -16.058556665417 2284676 COC1=CC=C(C=C1)OCCOC2=CC=CC=C2[N+](=O)[O-] 1 3.323 1 5 -3.20580354403181 2284670 CCOC1=CC=C(C=C1)OCCCCOC2=CC=CC=C2C(=O)C 1 4.16 0 4 -4.89051771353744 2284646 COC1=C(C(=CC=C1)OC)OCCCOC2=CC=CC3=C2N=CC=C3 1 3.661 1 4 -4.83599562856706 2284645 CC1=C([N+](=O)C2=C(N1[O-])CCCCC2)C3=CC=C(C=C3)F 1 2.272 2 2 -2.90261484351493 2284643 C1=CC=C(C(=C1)OCCOC2=CC=CC3=C2N=CC=C3)Br 1 4.38 1 2 -3.5473346862217 2284632 CC1=CC(=C(C=C1Cl)C)OCCOC2=CC=CC3=C2N=CC=C3 1 5.268 1 2 -0.517953290380082 2284606 COC1=C(C=CC(=C1)C=O)OCCCOC2=CC=CC=C2[N+](=O)[O-] 1 3.145 1 6 0 -9.4653533900836 2284565 C1=CC=C(C=C1)CSCCNC(=O)/C=C/C2=CC=CC=C2 1 3.703 1 1 -9.32211809383413 2284551 CC1=CC(=C(C=C1)OCCOCCOC2=CC=CC=C2OC)[N+](=O)[O-] 1 3.679 1 6 0 -5.96992342755941 2284545 CC1=CC(=C(C=C1)OCCOCCOC2=CC=CC=C2[N+](=O)[O-])OC 1 3.679 1 6 0 -7.34173436298835 2284537 C1CCC2=C(CC1)[N+](=O)C=C(N2[O-])C3=CC=C(C=C3)Cl 1 2.218 2 2 -0.410766299153442 2284519 CCCN1C2=CC=CC=C2N\3C1=NC(=O)/C3=C\C4=CC=C(O4)[N+](=O)[O-] 1 3.018 4 4 0 -4.89096092851502 2284492 CS(=O)(=O)NCCSCC1=CC=C(C=C1)Cl 1 2.026 1 2 -4.53909721676119 2284491 CC1=C([N+](=O)C2=C(N1[O-])CCCCC2)C3=CC=C(C=C3)OC 1 2.051 2 3 -4.02745807812432 2284470 CC1=CC(=C(C(=C1)Br)OCCCOC2=CC=CC=C2OC)C 1 5.212 0 3 1.13116834816326 2284452 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NCCSCC2=CC=C(C=C2)Cl 1 4.262 2 3 -8.54992912141292 2284450 C1=CC=C(C=C1)CSCCNC(=O)C2=CC=C(C=C2)F 1 3.44 1 1 -8.54322777570931 2284415 COC1=C(C(=CC=C1)OC)OCCCOC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 4.034 1 6 0 -1.05692762942443 2284414 CCOC1=CC=C(C=C1)OCCOCCOC2=CC=CC=C2Cl 1 4.311 0 4 -1.65866992461467 2284357 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C3C(=CC=C2)OCCO3 1 2.658 2 4 0.872281208049062 2284358 CCNC(=O)CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)F 1 2.419 2 3 -12.0889102963068 2284384 C1CC2=C(C1)[N+](=O)C=C(N2[O-])C3=CC=CC4=CC=CC=C43 1 1.549 2 2 0 -0.107186299317116 2284329 CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 6.02 2 2 -7.29002888907644 2284304 C1=CC2=C(C(=C1)OCCCOC3=CC=C(C=C3)Br)N=CC=C2 1 4.442 1 2 -2.63447705032591 2284278 CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)OC)C)C 1 2.6 1 3 -6.27737861336477 2284259 C1=CC=C(C=C1)CSCCNC(=O)C2=CC=CC=C2 1 3.235 1 1 -10.3437838307322 2284258 CC1=CC(=C(C(=C1)Cl)OCCCOC2=CC=CC=C2OC)Cl 1 5.306 0 3 1.07492544761184 2284246 CC1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2C)Cl)Cl)OC 1 5.73 0 3 2.11041731956325 2284229 COC1=C(C(=CC=C1)OC)OCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.817 0 5 -4.04195424501408 2284214 CC1=CC=C(C=C1)CSCCNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C 1 2.69 2 3 -18.1683320570755 2284208 CC1=CC(=C(C=C1)OCCOCCOC2=C(C=C(C=C2)C)OC)[N+](=O)[O-] 1 4.165 1 6 0 -6.43339105954022 2284170 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)C(=O)O 1 1.159 7 4 0 -33.1604191992958 2284157 C1=CC=C(C=C1)CC(=O)NCCSCC2=CC=CC=C2 1 3.27 1 1 -12.3210782350674 2284155 C1=CC2=C(C(=C1)OCCOCCOC3=C(C=C(C=C3)Cl)Br)N=CC=C2 1 4.914 1 3 -1.85201017388138 2284152 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCSCC2=CC(=CC=C2)Cl 1 2.723 2 3 -8.75972434738113 2284138 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCSC2=CC=C(C=C2)Cl 1 4.273 2 3 -5.94203969431544 2284131 CC1=CC(=C(C(=C1)Br)OCCOCCOC2=CC=CC=C2OC)C 1 5.019 0 4 -1.03018260703092 2284123 C/C=C/C1=CC(=C(C=C1)OCCCCOC2=C(C=CC=C2OC)OC)OC 1 4.992 0 5 -3.06888906313841 2284091 CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3Cl 1 6.527 3 3 -14.5463125305022 2284083 CC1=CC=C(C=C1)SCCNC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 4.076 2 3 -7.52360233387266 2284078 COC1=C(C=C(C=C1)Cl)N(CC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C 1 2.852 2 4 -18.174887224552 2284072 CC1=CC(=C(C=C1)OCCOCCOC2=C(C=C(C(=C2)C)C)Br)OC 1 5.505 0 4 -3.01979814174747 2284070 CC(C)OC1=CC=CC=C1OCCOC2=CC=CC(=C2)OC 1 4.139 0 4 -3.61976804758094 2284015 C/C=C/C1=CC(=C(C=C1)OCCOCCOC2=CC=CC3=C2N=CC=C3)OC 1 4.438 1 4 -9.66338132297183 2283998 C1CC1NC(=O)CSCC2=CC(=CC=C2)Br 1 2.676 1 1 -12.6802913905703 2283939 CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=CC=C2Cl)[N+](=O)[O-] 1 3.322 2 6 0 -20.1866904321763 2283926 CCOC1=CC=CC=C1OCCOCCOC2=CC=CC=C2[N+](=O)[O-] 1 3.541 1 6 0 -7.57567327580587 2283903 COC1=C(C=CC(=C1)C=O)OCCCCOC2=CC=CC=C2[N+](=O)[O-] 1 3.725 1 6 0 -9.02184639983053 2283902 CC1=CC(=C(C=C1)OCCOCCOC2=CC=CC=C2OC)Br 1 4.533 0 4 -3.43525408890568 2283898 CCOC1=CC=CC=C1OCCOCCOC2=C(C=CC=C2Cl)Cl 1 4.976 0 4 -1.93963161754303 2283889 C1=CC=C(C=C1)SCCNC(=O)COC2=CC=C(C=C2)Cl 1 3.728 1 2 -6.20619859859554 2283888 CC1=CC(=C(C=C1)OCCCOC2=C(C=CC=C2OC)OC)Br 1 4.71 0 4 1.04705626284245 2283858 COC1=CC(=CC=C1)OCCOC2=C(C=CC=C2OC)OC 1 3.396 0 5 -1.8561357041484 2283856 CC1=CC=C(C=C1)C(=O)NCCNC(=O)CN2CCCC2 1 1.183 3 2 0 -11.6144864624273 2283818 CC1=C(C=C(C=C1)C(=O)NCCSC(C)(C)C)[N+](=O)[O-] 1 2.963 2 3 -12.7661419329756 2283739 CC(C)(C)SCCNC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-] 1 2.945 2 3 -10.9631400946131 2283724 C1=CC=C(C=C1)NC(=O)NCCSCC2=CC=CO2 1 2.325 2 2 -6.5063337174588 2283723 C1=CC=C(C(=C1)CNCCCNCC2=CC=CC=C2O)O 1 2.132 2 2 5.43738027620476 2283517 C1=CC=C(C=C1)SCCNC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl 1 5.025 1 1 -2.14279672736343 2283477 CC1=CC(=C(C=C1)OC)N(CC(=O)NCCSCC2=CC(=CC=C2)Cl)S(=O)(=O)C 1 3.338 2 4 -16.9506229429632 2283469 COC1=CC=CC=C1OCC(=O)NCCSCC2=CC=CC=C2Cl 1 3.718 1 3 -14.7011624132541 2283460 CC1=CC(=CC(=C1)OCCCOC2=CC=CC3=C2N=CC=C3)C 1 4.666 1 2 -3.24778934491509 2283451 COC(=O)C1=CC=CC=C1OCCOCCOC2=CC=CC3=C2N=CC=C3 1 3.356 1 5 -10.194976563896 2283442 CCOC1=CC(=CC=C1)OCCOCCOC2=CC=CC=C2C(=O)C 1 3.387 0 5 -8.05012040635885 2283427 CC1=CC=C(C=C1)CSCCNC(=O)CN(C2=C(C=CC(=C2)OC)OC)S(=O)(=O)C 1 2.657 2 5 0 -19.1191139930008 2283424 CC1=CC(=C(C=C1)OCCCOC2=CC=CC=C2Cl)OC 1 4.642 0 3 -1.62504419704868 2283404 C1=CC=C(C(=C1)OCCCOC2=CC=CC3=C2N=CC=C3)Br 1 4.442 1 2 -2.77147057517929 2283392 C/C=C/C1=CC(=C(C=C1)OCCOC2=CC=CC3=C2N=CC=C3)OC 1 4.569 1 3 -8.27789447882006 2283364 CC1=CC(=C(C=C1)OCCCOC2=CC=CC=C2Br)OC 1 4.726 0 3 -0.869400953890488 2283359 CCOC1=CC=CC=C1OCCOC2=CC=CC(=C2)C(F)(F)F 1 4.72 0 3 0.832849873484422 2283350 CCOC1=CC=CC=C1OCCCOC2=C(C=C(C=C2)C)Br 1 5.075 0 3 -0.914743909534788 2283314 CC1=C([N+](=O)C(=C(N1[O-])C)C2=CC=C(C=C2)OC)C 1 0.918 2 3 0 0.165424067459694 2283311 C1=CC=C(C=C1)CSCCNC(=O)CSC2=CC=CC=C2 1 3.628 1 1 -11.9771435124014 2283310 CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-] 1 3.322 2 6 0 -17.5783233511186 2283286 COC1=CC=CC=C1OCCCOC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 4.05 1 5 -3.37788702597837 2283202 CC1=C(C(=CC=C1)OCCCOC2=CC=CC3=C2N=CC=C3)C 1 4.666 1 2 -1.48332037929766 2283201 COC1=C(C=CC(=C1)C=O)OCCOCCOC2=CC=CC=C2Cl 1 3.722 0 5 -8.48281519744601 2283189 CC1=CC=C(C=C1)CSCCNC(=O)CN(C2=CC(=CC=C2)OC)S(=O)(=O)C 1 2.673 2 4 -17.8805553560038 2283178 COC1=CC(=CC=C1)OCCCOC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 4.05 1 5 -0.620336962575341 2283169 CC1=CC(=C(C=C1)OCCCOC2=C(C=C(C=C2)CC=C)OC)OC 1 4.969 0 4 -5.39352496708561 2283168 CC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2)[N+](=O)[O-] 1 3.615 2 3 -12.9897445551418 2283112 C/C=C/C1=CC(=C(C=C1)OCCOC2=C(C=CC(=C2)C=O)OC)OC 1 4.126 0 5 -9.66960184512314 2283109 CCOC1=CC=CC=C1OCCOC2=CC=C(C=C2)F 1 3.983 0 3 -1.32465360242955 2283095 CC1=CC(=C(C=C1)OCCOCCOC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 3.679 1 6 0 -2.62820630395821 2283088 CCOC1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C(F)(F)F 1 4.72 0 3 2.77815513148885 2283081 CCOC1=CC(=CC=C1)OCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 5.182 0 4 -4.16039782835547 2283070 CC1=C([N+](=O)C2=C(N1[O-])CCCCC2)C3=CC=CO3 1 1.462 2 3 0 -3.52053080859503 2283059 CC1=CC(=C(C=C1)OCCOC2=C(C=CC=C2Cl)C)OC 1 5.066 0 3 -0.62572788004163 2283053 CC1=CC(=C(C=C1)OCCOCCOC2=CC=CC=C2Br)OC 1 4.533 0 4 -3.03075190908467 2283037 CCOC1=CC(=CC=C1)OCCCOC2=CC=CC3=C2N=CC=C3 1 4.026 1 3 -5.06189517836038 2283032 COC1=C(C=C(C=C1)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C)Cl 1 2.233 3 4 0 -21.6125308877578 2283017 COC1=CC=C(C=C1)N(CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.757 2 4 -17.6340276456559 2283016 CC1=CC(=CC(=C1OCCOC2=CC=CC3=C2N=CC=C3)Cl)Cl 1 5.447 1 2 0.467288414540077 2283010 C1CN(CCN1C2=CC=C(C=C2)NC(=O)/C=C\C3=CC=CO3)C(=O)C4=CC=CC=C4 1 3.521 3 3 -6.18152028066726 2283001 C1=CC=C(C(=C1)OCCCOC2=CC=CC3=C2N=CC=C3)Cl 1 4.358 1 2 -3.52711381833748 2282975 CCC1=CC=CC=C1OCCOC2=CC=CC=C2OCC 1 4.72 0 3 -3.65050552532685 2282924 C1=CC=C(C=C1)C(=O)NCCSC2=CC=CC=C2 1 3.228 1 1 -7.60380867314159 2282895 CC1=CC(=CC(=C1Cl)C)OCCOC2=CC=CC3=C2N=CC=C3 1 5.268 1 2 -2.40715044909365 2282892 CC1=CC(=C(C=C1)OCCOCCOC2=CC=C(C=C2)[N+](=O)[O-])OC 1 3.679 1 6 0 -5.69575139769781 2282854 CC1=CC=C(C=C1)SCCNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C 1 4.095 2 3 -7.95233497923606 2282851 CC(C)NC(=O)/C(=C/C1=CC=CO1)/C2=CC=CC=C2 1 3.105 1 2 -10.9329360181483 2282834 CC1=CC(=C(C=C1)OCCOC2=CC=CC=C2Cl)OC 1 4.58 0 3 -2.40090830809109 2282785 CC(C)COC1=CC=C(C=C1)CSCCNC(=S)NC2=CC=CC=C2 1 5.885 2 1 -13.3854438180296 2282776 CSC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4Cl 1 6.229 2 1 -6.66212009990535 2282752 C1=CC=C(C=C1)CCCN2C3=CC=CC=C3C(=O)C2=O 1 3.237 1 2 4.04619138442701 2282723 C1CCC(CC1)C(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl 1 5.936 0 4 -3.30088349293444 2282660 CCCCC(=O)NC1=C(C=C(C=C1)Br)C(=O)O 1 2.907 1 3 -10.2015700134751 2282652 CC1=CC(=CC=C1)OCCOC(=O)NC2=CC=CC=C2 1 3.712 1 3 -2.91200849076652 2282651 CCN(CC)C(=S)SCCC(=O)NC(=O)OC1=CC=C(C=C1)C(C)(C)C 1 5.614 2 3 -7.90089152310763 2282647 C#CCOC(=O)/C(=C/C=C/C1=CC=CC=C1)/NC(=O)C2=CC=CC=C2 1 4.302 1 3 -10.0842206343015 2282640 CCN(CC)C(=O)/C(=C/C1=CC=C(C=C1)F)/NC(=O)C 1 1.439 2 2 0 -11.2370192382872 2282629 COC(=O)/C(=C/C1=CC=CO1)/NC(=O)C2=CC=CC=C2 1 2.037 1 4 -11.2647608032183 2282581 COC1=CC=C(C=C1)OCCOC(=O)NC2=CC=CC=C2 1 3.209 1 4 -4.46469983372423 2282574 CCC1=CC=C(C=C1)OCCOC(=O)NC2=CC=CC=C2 1 4.168 1 3 -4.14589518915962 2282573 CCN(CC)C(=S)SCCC(=O)NC(=O)OC1=CC=C(C=C1)C 1 4.7 2 3 -10.4790256722189 2282572 C1=CC=C(C=C1)CCCNC(=O)C2=CC=NC=C2 1 2.248 2 1 -9.05089315828939 2282561 CC1=CC=C(C=C1)OCCOC(=O)NC2=CC=CC=C2 1 3.712 1 3 -3.90645705338053 2282522 C#CCOC(=O)C(=C1CCCCC1)NC(=O)C2=CC=CC=C2 1 4.245 1 3 -8.74282030809587 2282513 CCN(CC)C(=S)SCCC(=O)NC(=O)OC1=CC=CC=C1 1 4.214 2 3 -10.9672596841877 2282510 CCOC(=O)/C(=C/C1=CC=C(C=C1)F)/NC(=O)C 1 1.532 1 3 0 -7.64716483988523 2282509 CC(=C(C(=O)OCC#C)NC(=O)C1=CC=CC=C1)C 1 3.248 1 3 -9.84000327228548 2282508 COC1=CC=CC=C1OCCOC(=O)NC2=CC=CC=C2 1 3.209 1 4 -7.69691431982784 2282505 CC(C)OC(=O)/C(=C/C1=CC=C(C=C1)F)/NC(=O)C 1 1.909 1 3 0 -10.3292181550442 2282503 CCN(CC)C(=S)SCCC(=O)NC(=O)OC1=CC=C(C=C1)C(C)C 1 5.408 2 3 -10.1955659755673 2282473 CC(C)OC(=O)C(=C1CCCCC1)NC(=O)C2=CC=CC=C2 1 3.779 1 3 -8.85463761082113 2282461 C1=CC=C(C=C1)CCCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.957 2 3 -7.39851248980242 2282452 C1=CC(=CN=C1)CN(CCC#N)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.892 4 1 -7.47033771009931 2282450 CCCCOC(=O)C(=C(C)C)NC(=O)C1=CC=CC=C1 1 3.385 1 3 -9.78057155472122 2282416 COC1=CC=C(C=C1)CCNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C 1 1.895 2 4 0 -16.34638824525 2282402 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])Cl 1 4.796 4 3 0 -5.19132077928848 2282389 CCCCC1=CC=C(C=C1)C2=NC(=NN2)N 1 3.144 4 0 2.45736829624668 2282358 C1=CC=C(C=C1)OCC(=O)NCCSCC2=CC=C(C=C2)Cl 1 3.735 1 2 -8.61959286337531 2282289 CC1=CC=CC=C1N2C(=O)/C(=C/C3=CC(=C(O3)N4CCOCC4)Br)/C(=O)NC2=O 1 3.251 3 5 0 -4.97549369219698 2282271 CC1=CC=CC=C1C(=O)NCCSC2=CC=CC=C2 1 3.714 1 1 -9.84273817216804 2282235 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)C 1 6.747 3 1 -2.1570571103671 2282231 CC1=CC=C(C=C1)CSCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.615 2 3 -11.8705550728296 2282212 C1=CC(=CC(=C1)Cl)CSCCNC(=O)COC2=CC=C(C=C2)Cl 1 4.399 1 2 -7.77621055747451 2282197 CC1=CC(=CC(=C1)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3)C 1 4.134 3 3 -21.3115177617599 2282192 CC(C)C(C(C)C)NC(=O)CSCC1=CC=C(C=C1)[N+](=O)[O-] 1 3.745 2 3 -14.1025225791068 2282151 CCOC1=CC=CC=C1N2C(=O)/C(=C\C3=C4C=CC=C5C4=C(CC5)C=C3)/C(=O)NC2=O 1 4.488 2 4 -0.134642405302465 2282145 CCCOC1=CC=C(C=C1)C(=O)NCC2=CC=CO2 1 2.659 1 3 -9.80798468701136 2282115 C1COCCN1C(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3Cl 1 2.552 2 3 -19.3671101981079 2282063 CCOC1=CC=C(C=C1)N(CC(=O)NCCC2=CC=C(C=C2)OC)S(=O)(=O)C 1 2.227 2 5 0 -17.1686540889539 2282053 CC1CCN(CC1)C(=O)CN(C2=CC=CC(=C2)C)S(=O)(=O)C3=CC=C(C=C3)C 1 3.93 2 3 -16.2926880277838 2282018 COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br 1 4.423 1 4 -4.96989175325645 2281988 C1=CC=C(C=C1)OCC(=O)NCCSCC2=CC=CC=C2Cl 1 3.735 1 2 -11.3057911319059 2281960 C1=CC=C(C=C1)CSCCNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.53 2 3 -13.5277376006012 2281944 CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)OC 1 3.378 2 4 -12.3718567367147 2281934 CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)F 1 3.279 3 7 0 -6.46948171801424 2281871 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(O3)N4CCOCC4)Br)/C(=O)NC2=O 1 3.097 3 6 0 -5.54433911241751 2281861 C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.539 3 4 0 2.73610641440771 2281858 C1COCCN1C(=O)COC2=CC=C(C=C2)C=NNS(=O)(=O)C3=CC=CC=C3 1 1.323 3 5 0 -10.7136028723198 2281855 COC1=C(C=C(C=C1)S(=O)(=O)NCCSC2=CC=CC=C2)OC 1 2.898 1 4 -9.34038467003716 2281832 CC1=CC=C(C=C1)CSCCNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-] 1 4.016 2 3 -12.9944501204319 2281810 C1=CC=C(C=C1)SCCNC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 3.59 2 3 -8.54416178571356 2281759 CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC=CN3C4=CC=C(C=C4)Cl)/C(=O)NC2=O 1 4.965 3 3 4.81860197934759 2281756 CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)F)C(=O)OC 1 2.925 3 3 -12.2136661217437 2281752 C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Cl 1 4.28 3 2 -6.91119826447489 2281684 COC1=CC=C(C=C1)N(CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C 1 2.18 2 4 -16.1539379250609 2281654 COC1=C(C=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])OC 1 2.876 2 5 0 -16.3246088944481 2281640 C1=CC(=CN=C1)CNS(=O)(=O)C2=C(C(=C(C=C2)Cl)Cl)Cl 1 3.167 2 2 -3.32058525526662 2281624 CCCNC(=S)NC1=C(C=C(C=C1)Cl)Cl 1 4.713 2 0 -6.99351901026344 2281620 COC1=C(C=C(C=C1)N(CC(=O)NCCSCC2=CC=CC=C2Cl)S(=O)(=O)C)Cl 1 3.516 2 4 -21.2830999761228 2281593 CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC=C(C=C2)OC)C 1 3.052 3 4 0 -15.0900210216215 2281539 C1=CC(=CC(=C1)Cl)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4 1 4.73 4 2 0.69724853899553 2281509 CC1=CC=C(C=C1)SCCNC(=O)C2=CC=CC=C2C 1 4.2 1 1 -8.93945654417332 2281479 CS(=O)(=O)N(CC(=O)NCCSCC1=CC=CC=C1Cl)C2=CC=CC=C2F 1 3.074 2 3 -21.0384528671953 2281425 CC1=CC(=CC(=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C)C 1 2.558 2 3 -13.4343603707412 2281387 CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(F)(F)F)C 1 5.68 2 1 -8.0760682827666 2281378 CC1=CC(=C(C=C1)OC)NC(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C 1 2.258 2 4 -17.1085278012203 2281365 CC1=CC=C(C=C1)CSCCNC(=O)CCSC2=CC=CC=C2 1 4.363 1 1 -11.4639662001598 2281236 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=C3C(=O)NC(=O)NC3=O 1 0.213 4 4 0 -11.520493310912 2281235 CN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)NC3=O 1 1.363 3 3 0 -3.08751390677485 2281183 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 5.662 1 1 -5.04120194095384 2281157 CC(=O)OC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2 1 3.101 0 4 -11.2396223259998 2281151 CC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)O 1 1.817 2 3 0 -3.79318896067081 2281127 CCCCCOC1=CC=C(C=C1)NC(=O)CCCC(=O)O 1 3.02 1 4 -13.3769365711467 2281123 COC1=CC=CC=C1OP(=O)(O)OC2=CC=CC=C2OC 1 3.103 0 6 -2.72966601763595 2281104 C1=CC=C(C=C1)CC(=O)NN2C(=O)/C(=C/C3=CC=CC=C3C(=O)O)/SC2=S 1 3.545 2 4 -9.39512633793781 2281102 CCOC(=O)C(=NNC1=CC=C(C=C1)C(=O)C)C(=O)C2=NN3C4=C(C=CC(=C4)Cl)C(=O)N=C3S2 1 4.442 5 5 0 -6.37600377213159 2281101 C1=CC(=C(C=C1O)O)C(=O)CSC2=NC(=O)C=C(N2)N 1 1.006 3 4 0 -5.44530215992623 2281098 COC1=CC=C(C=C1)C=NN2C=NN=C2SCCO 1 1.572 4 2 0 -5.01858789778652 2281079 COC1=C(C=C(C=C1)C=NN2C=NN=C2SCCO)OC 1 1.556 4 3 0 -8.89777144736581 2280962 CCCCNCCOCCOC1=CC=C(C=C1)F 1 2.819 1 2 -0.722178199493125 2280852 CN(CCO)CCOCCOC1=CC=CC(=C1)OC 1 1.265 1 4 0 -0.207440011200971 2280788 CC1=CC(=NC(=N1)NC(=NC(=O)C)NC2=CC=CC=C2OC)C 1 1.858 5 2 0 -8.02696270013669 2280707 COC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)NCCCN3CCOCC3 1 1.521 2 4 0 -6.21733315908556 2280662 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.429 2 3 -7.5560844698574 2280657 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCSCC2=CC=CC=C2 1 3.615 2 3 -11.5245729943337 2280575 COC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC(=CC=C2)Cl)S(=O)(=O)C 1 2.852 2 4 -16.3198765599983 2280528 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 1.624 2 4 0 -19.6298614052719 2280513 C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCSC3=CC=CC=C3 1 4.823 1 2 -6.56223743942876 2280503 COC1=C(C=C(C=C1)N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3)OC 1 1.976 3 5 0 -17.6430636142602 2280499 C1COCCN1CCCNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 1.485 3 4 0 -8.9527448686169 2280443 COC1=CC(=CC=C1)OCCOCCNCCO 1 0.729 1 4 0 3.91341856325288e-002 2280418 CC1=CC(=CC(=C1Cl)C)OCCOCCN(C)CCO 1 2.918 1 3 2.08822766586123 2280341 C1=CC=C(C=C1)C2=N/C(=C/C3=CC(=CC=C3)OC(=O)C4=CC=CS4)/C(=O)O2 1 4.698 1 4 -15.4805825437661 2280229 CC(C)(C)SCCNS(=O)(=O)C1=CC=C(C=C1)F 1 2.491 1 2 -5.66030419343588 2280198 CC(C)(C)SCCNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] 1 3.142 2 3 -11.8954523363229 2280125 CCOC1=C(C=C(C=C1)C(=O)C)NC(=O)/C=C\C(=O)O 1 1.266 1 5 0 -10.3082861082837 2280107 CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2C)C)C 1 3.714 2 5 0 -8.40737324298041 2280028 C1CCCN(CC1)C(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3 1 3.368 2 3 -16.5660060321145 2279983 CC1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-] 1 5.732 3 4 0 -1.30056403991997 2279974 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 3.391 3 6 0 -13.0301043137103 2279962 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)OC 1 4.053 2 6 0 -7.69893787836415 2279922 CC1=CC=C(C=C1)CSCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.594 3 2 -20.3821381787193 2279920 CC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C)OC)S(=O)(=O)C 1 2.539 2 4 -15.2468211729064 2279899 CC1=CC=C(C=C1)SCC(=O)NCC2=CC=NC=C2 1 2.35 2 1 -9.10789709036105 2279840 COC1=C(C=C(C=C1)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C)Cl 1 2.518 2 4 -18.0119105482489 2279758 COC1=C(C=C(C=C1)N(CC(=O)NCCSCC2=CC=C(C=C2)Cl)S(=O)(=O)C)Cl 1 3.516 2 4 -18.6183867069195 2279675 COC1=CC(=C(C=C1)N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)OC 1 1.318 2 7 0 -16.7790559459651 2279646 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.896 3 6 0 -14.0032333648712 2279552 C1COCCN1CC2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=C3 1 2.989 2 2 -7.05019140091404 2279498 CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C 1 0.421 3 5 0 -13.8404159250164 2279440 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4 1 4.38 3 3 -21.3227478164359 2279354 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)F 1 3.108 1 3 -5.91852827919502 2279301 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O 1 1.604 2 8 0 -12.0537514895758 2279282 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4CCOCC4 1 2.546 3 2 -3.94566341362933 2279254 CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3)C 1 4.588 3 2 -9.30739960698601 2279243 C1=CC=C(C=C1)SCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.825 2 4 -9.95795954127956 2279207 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC2=CC=CC=N2)C3=CC=CC=C3 1 3.145 3 4 0 -21.0290343743127 2279190 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=CC=CC=C3C 1 3.762 2 5 0 -19.2626640828881 2279080 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)OC3CSC3 1 3.317 2 3 -2.5603799710502 2279079 C1=CC=C(C=C1)/C=C/C(=O)NCCSC2=CC=C(C=C2)Cl 1 4.36 1 1 -3.54394755829239 2278966 COC1=C(C=C(C=C1)C(=O)NCCSC2=CC=CC=C2)OC 1 3.195 1 3 -11.4860999931904 2278931 COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=CO2)Br)OC 1 3.053 1 4 -10.0631225398397 2278924 CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC(=CC=C2)Br)C(=O)OC 1 3.468 3 3 -12.4836728326862 2278923 C1=CC(=CC=C1SCCNC(=O)COC2=C(C=C(C=C2)Cl)Cl)Cl 1 5.057 1 2 -5.86400155047646 2278816 C1=CC=C(C=C1)/C=C/C(=O)OCCCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 3.234 2 4 -8.29337812433504 2278814 C1=CC=C(C=C1)CSCCNC(=O)CCSC2=CC=CC=C2 1 3.877 1 1 -12.5718125669877 2278811 COC1=CC=C(C=C1)/C=C(/C(=O)NCCCC(=O)O)\NC(=O)C2=CC=CC=C2Cl 1 2.693 2 5 0 -26.0661766083383 2278791 COC1=CC=C(C=C1)CCNC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 1.878 2 5 0 -16.6705070991197 2278790 CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=N3)S(=O)(=O)C)C 1 4.289 3 3 -17.6739292418874 2278775 CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 4.095 2 3 -9.51490076656895 2278727 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)OC)C3=CC(=C(C=C3)OC)Cl 1 4.284 2 5 0 -18.5161418664293 2278691 C1=CC=C(C=C1)NC(=S)NCC2=CC=NC=C2 1 2.945 3 0 -7.58864002976169 2278688 C1=CC=C(C=C1)CC(=O)NCCSCC2=CC=C(C=C2)Cl 1 3.934 1 1 -9.39123317765278 2278670 CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=C(C=CC(=C3)OC)OC 1 1.972 3 4 0 -13.2570181464474 2278656 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4OC3=O 1 5.265 2 6 0 -8.35917736933764 2278644 COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)C4=CC=CC=C4C3 1 5.412 2 2 -6.28734369209445 2278591 CC1=CC(=CC(=C1)N(CC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C)C 1 3.176 2 3 -18.7825869192103 2278529 CC1=CC=CC=C1NC(=O)NC2=NN=C(S2)CC(=O)NCC3=CC=CC=C3 1 2.716 5 2 0 -20.5186586961209 2278522 CC1=CC(=C(C=C1)OCCOC2=CC=CC(=C2)C=C3C(=O)NC(=O)NC3=O)C 1 3.452 2 5 0 -5.72357326123471 2278515 CN(C)C1=CC=C(C2=CC=CC=C21)NC(=O)CC3=CC=CC=C3 1 3.72 2 1 -11.1790620031604 2278506 C1=CC(=CC=C1NC(=O)CCCC(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-] 1 3.264 2 5 0 -12.5767667048201 2278197 CC1=CC(=CC(=C1)OCCOC2=CC=CC(=C2)C=C3C(=O)NC(=O)NC3=O)C 1 3.452 2 5 0 -7.5686397807082 2278032 C1=CC=C(C=C1)CCCNC(=O)CC2=CC=CC=C2 1 3.433 1 1 -11.3021487555325 2278011 C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C=C\3/C(=O)N=C(S3)N 1 3.131 2 4 -9.56174153790011 2277954 CN(C)C1=CC=C(C=C1)SC2=NN=C(S2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 5.147 5 1 -8.47779214665617 2277887 COC1=C(C=CC(=C1)CC=C)OCCOC2=CC=CC(=C2)C=NN3C=NN=C3 1 3.652 4 3 0 -6.92601819799124 2277833 CCSC1=N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)S1 1 3.525 1 3 -10.8583660474017 2277779 COC1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C=C3C(=O)NC(=O)NC3=O 1 2.463 2 6 0 -7.73907130772647 2277493 C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] 1 6.13 2 4 -1.18786998070752 2277460 COC1=CC=CC(=C1)N2C(=O)CC(=O)NC2=O 1 0.719 2 4 0 -6.38190895379824 2277433 C1=CC(=CC=C1C(=O)/C=C/NC2=CC=C(C=C2)F)Br 1 3.997 1 1 1.77750516335391 2277404 CC1=NC2=C(N1)C=C(C=C2)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1 4.375 2 0 0.126095603398774 2277394 CCC1=CC=C(C=C1)CN/C=C/C(=O)C2=CC=C(C=C2)Br 1 4.462 1 1 -2.67126660019626e-002 2277347 COC1=CC(=CC(=C1OC)OC)N2C(=O)CC(=O)NC2=O 1 0.686 2 6 0 -9.99520580202608 2277333 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NO 1 3.277 1 4 -2.43435897408495 2277195 COC(=O)C1=CC=CC=C1N/C=C/C(=O)C2=CC=C(C=C2)Br 1 3.646 1 3 -4.08142049846881 2277148 CCOC(=O)CCCNC(=O)C1=CC(=CN=C1)Br 1 1.261 2 3 0 -16.923585143533 2277133 CC(C)(C)SCCNS(=O)(=O)C1=CC=CC=C1 1 2.286 1 2 -7.26819085813728 2277124 COCCNC(=O)CN(C1=C(C=CC(=C1)C(F)(F)F)Cl)S(=O)(=O)C 1 1.482 2 4 0 -15.2743478042772 2277113 CC1=CC=C(C=C1)SCCNC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C 1 2.666 2 4 -18.3576494843499 2277094 C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)NC4=CC=CC(=C4)C(=O)O 1 3.65 2 6 0 -17.1879850575684 2277079 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C=C3)O)[N+](=O)[O-])/SC2=O 1 2.923 3 6 0 -2.40476062508582 2277046 C1=CC(=CN=C1)C(=O)NC(=S)NCCOCC2=CC=C(C=C2)Cl 1 2.878 3 2 -11.8353152763063 2276993 COC1=CC=C(C=C1)/C=C/C(=O)NCCSCC2=CC=CO2 1 2.868 1 3 -6.84072762413232 2276936 CC1=CC=C(C=C1)S(=O)(=O)NCCSCC2=CC=CO2 1 2.606 1 3 -4.166402441354 2276923 C#CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC3=CN=CC=C3 1 4.656 2 2 -8.68579949411676 2276914 C1COCCN1C(=S)C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)Cl 1 4.154 1 4 -10.9291229759698 2276878 CC1=CC(=NC(=N1)SC2=C(C(=C(C(=C2F)F)C(F)(F)F)F)F)C 1 5.02 2 0 -1.12076754310349 2276837 CN(/C=C/C1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-])C4=CC=CC=C4 1 2.62 2 4 7.91500065904001 2276822 CCC(=O)NC1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)OC 1 2.22 2 4 -6.06258352747175 2276795 COC1=CC=CC(=C1)NC(=O)COC2=C(C(=C(C(=C2F)F)C(F)(F)F)F)F 1 4.197 1 3 -4.02784032107923 2276725 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 4.366 1 6 0 -9.7478733874295 2276570 CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C41 1 4.557 3 3 -3.52460827674917 2276473 COC1=CC=CC=C1CC(=O)NNC(=O)C2=CC=CO2 1 1.285 2 4 0 -10.5631014645644 2276457 CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C41 1 4.557 3 3 -5.45432249743267 2276435 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.323 3 5 0 -0.411903666561522 2276384 CCCC1=NNC2=C1C(=O)CC(C2)(C)C 1 2.529 2 1 -6.80977118036157 2276281 CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)OC 1 3.136 3 4 0 -21.5806962138899 2276243 C1=CC(=CC=C1N2C(=O)/C(=C/C3=CSC=C3)/C(=O)NC2=O)Br 1 3.057 2 3 -4.0006855719277 2276231 C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2CCSC3=CC=C(C=C3)[N+](=O)[O-] 1 5.036 2 3 -3.93311597865893 2276180 C(C(=O)O)OC1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F 1 3.059 0 3 -4.70695388972072 2276175 CC(=C)CNC(=S)NN=CC1=CC2=C(C=C1)OCO2 1 3.062 3 2 -9.9566174422963 2276163 CC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=N2)C 1 3.758 3 2 -5.968450757283 2276112 CCCCC1(OC(=O)C(=CC2=CC=C(C=C2)N(CC)CC)C(=O)O1)C 1 4.312 1 4 -6.77356608463859 2276063 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CC=C4 1 6.261 3 1 -2.93282108055504 2276062 C1=CC=C(C=C1)SCCNS(=O)(=O)C2=CC=C(C=C2)F 1 3.137 1 2 -3.14393165801154 2276052 COC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 3.513 2 3 -4.42321175892488 2276050 C1=CC(=CC(=C1)Br)N2C(=O)/C(=C/C3=CSC=C3)/C(=O)NC2=O 1 3.057 2 3 -2.14494773932194 2276020 CN1C(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)C(=O)N(C1=O)C 1 2.473 2 6 0 -7.74772509027941 2276013 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)Cl 1 3.724 2 3 1.67408211002644 2275984 CCOC1=CC=CC=C1N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 3.494 3 4 0 -25.1459023716197 2275963 C1CCN(C1)C2=CC=C(O2)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5 1 2.557 3 6 0 1.49665436262517 2275840 CN(/C=C/C1=[N+](C2=C(S1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-])C4=CC=CC=C4 1 3.178 2 3 6.87619529892946 2275810 CC1=C(C=C(C=C1)N2C(=O)/C(=C/C=C/C3=CC=CO3)/C(=O)NC2=O)C 1 3.482 2 4 2.92875369997412 2275799 C1=CC=C(C(=C1)C(=O)O)C(=O)OCCCCOC(=O)C2=CC=CC=C2C(=O)O 1 3.091 0 8 0 -7.82308476620337 2275796 CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CSC=C3)/C(=O)NC2=O)C 1 3.281 2 3 -4.25124506168251 2275766 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F 1 2.5 2 5 0 -9.59610022648526 2275761 CCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl 1 3.088 2 3 -9.12091091609296 2275751 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=NC(=C(S2)C(=O)NC3=CC=CC=C3)C 1 3.646 3 3 -8.13613401639345 2275690 CCOC(=O)C1=C(S/C(=C\C2=CC(=C(C=C2)OCC(=O)O)OC)/C1=O)NC3=CC=C(C=C3)OC 1 3.772 1 8 0 -13.4887608077066 2275603 C1COCCN1C2=C(C=C(C=C2)NC(=O)COC3=C(C(=C(C(=C3F)F)C(F)(F)F)F)F)Cl 1 4.728 2 3 -3.40636708433702 2275582 C1=COC(=C1)/C=C\C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F 1 2.577 2 4 -5.51917550851097 2275580 CN1C(=O)/C(=C\C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)/SC1=O 1 3.345 1 5 -4.86779044536954 2275578 CN1C(=O)/C(=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)/SC1=O 1 3.345 1 5 -4.86779044536954 2275562 COC1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] 1 5.246 3 4 0 -0.936476881376804 2275418 CCC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=C(C(=C(C(=C3F)F)F)F)F 1 4.095 2 2 2.64475799253599 2275413 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=NN3C=NN=C3 1 2.666 4 3 0 -8.04367810226424 2275408 CC(=O)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])OCCOC2=CC=CC=C2 1 2.529 3 5 0 -4.16968609404677 2275402 CS(=O)(=O)N(CC(=O)NN=CC1=C2C(=CC=C1)OCCO2)C3=CC=CC=C3Br 1 2.186 3 5 0 -12.5478992202325 2275401 CC1=CC(=CC=C1)N2C(=O)CC(=O)NC2=O 1 1.221 2 3 0 -4.77163506101911 2275400 CC1=CC(=CC=C1)OCCOC2=CC=CC=C2C=NNC(=O)C 1 3.121 2 3 -1.39369837155835 2275373 CC1=CC=CC=C1OCCOC2=C(C=C(C=C2)[N+](=O)[O-])C=NN3C=NN=C3 1 3.041 5 4 0 0.592278713739172 2275371 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NN=CC2=CC=CO2)C 1 2.386 3 3 -11.8489647018492 2275370 CCC1=CC(=CC(=C1)C)OCCOC2=CC=CC=C2C=NNC(=O)C 1 4.063 2 3 -2.54943307459756 2275353 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCOC(=O)C3=CC=CC=C3F 1 2.329 2 4 -9.33119959765303 2275349 C1=CC=C(C=C1)/C=C/C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.654 2 4 -7.75694705549828 2275330 C1=CC=C(C=C1)N(CCO)C(=O)CCN2C(=O)/C(=C/C3=CC(=CC=C3)Br)/SC2=S 1 4.346 2 3 -11.2583580497645 2275275 CC1=C(C=C(O1)C=NNC(=O)CN(C2=CC=CC=C2Br)S(=O)(=O)C)Br 1 2.689 3 4 0 -12.9251509257152 2275267 CC1=CC(=CC(=C1OCC(=O)NCC2=CC=CO2)Cl)Cl 1 3.453 1 3 -7.51495285824512 2275256 CC1=CC=C(C=C1)SCCNS(=O)(=O)C2=CC=C(C=C2)F 1 3.623 1 2 -2.22076643269542 2275254 C1C(=O)NC(=O)N(C1=O)C2=CC3=C(C=C2)OCO3 1 0.503 2 5 0 -7.06020699794945 2275219 CCOC1=CC=CC(=C1)N2C(=O)CC(=O)NC2=O 1 1.067 2 4 0 -7.48101162347061 2275179 C1=CC(=CC=C1CNC(=S)NC2=C(C=C(C=C2)Cl)Cl)F 1 5.63 2 0 -3.35914501523484 2275138 CCOC1=C(C=CC(=C1)C=NN2C=NN=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.703 5 5 0 -13.1925595105684 2275132 COC1=C(C=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OC 1 3.681 2 6 0 -5.74269881636979 2275131 C=CCC1=CC=CC=C1OCCOC2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)N 1 3.327 4 5 0 -9.95145765149034 2275069 C1=CC(=CC(=C1)N2C(=O)C=CC2=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl 1 3.501 2 3 -3.06250997414469 2275045 CC(=O)NN=CC1=CC=C(C=C1)OCCOC2=CC=C(C=C2)Br 1 3.383 2 3 -4.20485224931684 2275037 CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F 1 4.196 3 3 -3.73364250830616 2275018 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CO4 1 3.645 3 3 -24.2633919560936 2275014 C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NN=NN3C4=CC(=CC=C4)Cl 1 4.158 5 1 -19.7676590675085 2274983 CCN(CC)C(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)F 1 3.282 4 2 -11.0339618602349 2274979 C1=CC(=CC(=C1)Br)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CN=CC=C3 1 3.529 3 2 -11.069779965386 2274965 C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=C(O2)C=NNC(=O)C(=O)NC3=CC=CC=C3Br 1 2.229 5 5 0 -14.3028056318527 2274950 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCOC(=O)C3=CC=CC=C3F 1 2.391 2 4 -9.31654826335118 2274943 CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)C 1 2.503 4 5 0 -17.9440088687789 2274919 CCOC1=CC=CC(=C1)NC(=O)CC#N 1 1.342 2 2 0 -10.0096182802209 2274893 COC1=CC=C(C=C1)C(=O)NCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.46 3 4 0 -11.6122844143204 2274892 COC1=C(C=CC(=C1)C=NNC(=O)CN(C2=CC=CC=C2Br)S(=O)(=O)C)OC(=O)OC 1 2.795 3 7 0 -17.6930094055865 2274888 COC1=CC(=CC(=C1OC)OC)C(=O)NCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.427 3 6 0 -15.09209313772 2274868 C/C(=C\C1=CC=CC=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=N3 1 4.234 3 2 -13.5660007944004 2274838 C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=S)N 1 3.309 4 4 0 -4.35643781923586 2274820 C1=CC=C2C=C(C=CC2=C1)NC(=O)CSC3=CC=CC=N3 1 3.305 2 1 -7.91914982425179 2274803 CN1C=NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3 1 1.507 3 3 0 -15.0611706081229 2274794 CCCCN1C2=CC=CC=C2/C(=C/3\C(=O)N=C(S3)N4CCOCC4)/C1=O 1 2.545 3 3 -8.33157910948405 2274766 C1COCCN1C2=CC=C(O2)/C=C(/C#N)\C3=CC=C(C=C3)Br 1 3.773 2 2 -3.32473068709178 2274746 CCCCOC1=CC=CC(=C1)NC(=O)CSC2=NN=CN2C 1 2.432 4 2 -19.914720218032 2274741 C1=CC(=CC=C1F)S(=O)(=O)NCCSC2=CC=C(C=C2)Cl 1 3.801 1 2 -0.398767742108604 2274725 C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2F 1 0.94 2 3 0 -5.50686901968035 2274702 COC1=CC(=CC=C1)OCCOC2=CC=CC(=C2)C=NN3C=NN=C3 1 2.644 4 3 0 -1.30596117354658 2274700 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N3)C 1 2.86 6 3 0 -13.8220022253215 2274691 C1C(=O)NC(=O)N(C1=O)C2=CC(=CC=C2)Br 1 1.483 2 3 0 -4.43432106752036 2274681 C=CCNC(=S)NN=CC1=CC=C(C=C1)OCC2=CC=CC=C2 1 4.415 3 1 -10.7131898765953 2274680 CCCCC1(OC(=O)C(=CC2=CC=C(C=C2)SC)C(=O)O1)C 1 3.994 0 4 0.167923792495323 2274654 C1=CC=C(C=C1)OCC2=NC(=NO2)C3=CC=NC=C3 1 1.829 3 2 0 3.14282867745915 2274649 C1=CC=C(C=C1)N2C(=NN=N2)SC/C=C/CSC3=NN=NN3C4=CC=CC=C4 1 3.887 8 0 0 -13.3209103541361 2274646 COCCNC(=O)/C(=C/C1=CC=C(O1)C2=C(C=C(C=C2)OC)[N+](=O)[O-])/C#N 1 2.297 3 6 0 -16.1394188049344 2274644 C1C(=O)NC(=O)N(C1=O)C2=C(C=C(C=C2)Cl)Cl 1 2.064 2 3 -3.55423647998176 2274639 C1=CC=C(C(=C1)C=NNC(=S)N)OCCSC2=CC=C(C=C2)Cl 1 4.638 3 1 0.349092935628102 2274474 CCCOC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)Br)F 1 4.424 1 2 -4.0569059492862 2274462 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3C=C2 1 3.262 1 2 -3.88297653746404 2274391 COC1=C(C=C(C=C1)/C=C/C(=O)NCCC2=CNC3=CC=CC=C32)OC 1 3.671 2 3 -13.5486652592264 2274273 CC1=C(/C(=C/C2=CC=CO2)/C(=O)N1C)C(=O)OC 1 1.085 1 4 0 -7.0945261921647 2274195 CCN(CC)C1=CC=C(C=C1)CC2C(=O)N(C(=O)N(C2=O)C)C 1 2.175 3 3 -10.8926665247246 2274177 CC(=O)OC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)NCCCO 1 1.847 1 4 0 -2.36368666783342 2274112 CC(=O)OC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)NCCO 1 1.784 1 4 0 -3.311778352084 2273911 COCCCNC(=O)CN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 1 1.843 2 4 0 -24.2257042543282 2273904 C1COCCN1C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O 1 0.234 3 5 0 -3.75284117968207 2273877 CCNC(=O)C(=O)NC1=CC(=C(C=C1)OC)Cl 1 1.301 2 3 0 -9.80543973361955 2273874 C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C(=O)NC3=CC=CC4=NSN=C43 1 4.612 3 2 4.27821199604266 2273837 COC1=C(C=C(C=C1)NC(=O)C(=O)NCCCO)Cl 1 0.475 2 4 0 -10.2105003268469 2273825 CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C=NNC(=O)C(=O)NCC3=CC=CC=N3 1 2.936 5 2 0 -10.6194909068367 2273788 COC1=C(C=CC(=C1)C=NN2C=NN=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.058 5 6 0 -13.0086778127391 2273779 COCCNC(=O)C1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.184 2 4 -19.6726365727794 2273760 COCCCNC(=O)CN(C1=C(C=CC(=C1)OC)OC)S(=O)(=O)C2=CC=CC=C2 1 1.482 2 6 0 -21.9888936095968 2273690 COCCCNC(=O)CSC1=CC=C(C=C1)Cl 1 2.027 1 2 -10.6116176170494 2273687 CC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)C 1 -6.4e-002 4 4 0 -22.4012717816878 2273643 CCOC(=O)C(=O)NC1=CC(=C(C=C1)OC)Cl 1 1.948 1 4 0 -4.74529008817505 2273638 CC1=CC(=CC(=C1)NC(=O)C(=O)NCC2=CC=CC=N2)C 1 1.924 3 2 0 -11.7485606534554 2273558 CC1=CC=C(C=C1)SCCOC2=C(C=C(C=C2)C=NN3C=NN=C3)OC 1 3.688 4 2 -2.75804778044656 2273543 CC(C)(C)OC(=O)NNC(=O)C1=CC=C(C=C1)Cl 1 2.446 2 3 -7.13507651599884 2273531 CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=O)C2=CC=CO2 1 2.252 2 4 -4.68850080405708 2273507 C1CCN(CC1)C(=O)C(=O)NNC(=O)COC2=C(C=C(C=C2)Cl)Br 1 1.932 3 4 0 -9.51439258135006 2273444 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)OC 1 4.446 1 4 -8.42463414497219 2273311 CCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CS2 1 3.33 1 3 -11.787631205292 2273312 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C=NN3C=NN=C3 1 2.074 5 5 0 -11.3343660163034 2273339 COCCCNC(=O)CCSC1=CC=C(C=C1)Cl 1 2.275 1 2 -11.7191742765881 2273336 CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CCC(CC3)CC4=CC=CC=C4 1 6.288 2 1 -0.43106277775684 2273249 COC1=CC=CC=C1NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])OC 1 3.681 2 6 0 -3.40539883661096 2273272 C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.15 4 4 0 -13.5835211595932 2273260 CC1=C(NC2=C1C=C(C=C2)S(=O)(=O)N)C 1 1.46 2 2 0 -3.42983515365371 2273253 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br 1 4.913 2 1 -2.82602628991839 2273251 CCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 1 4.678 2 2 -11.2998028392917 2273146 CC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCOCC2)C 1 1.602 2 3 0 -7.11767638722414 2273084 C1=CC(=CC=C1CCNC(=O)C(=O)NCCCO)Cl 1 0.819 2 3 0 -5.55839655814383 2273065 CC1=CC=CC=C1NC(=O)C(=O)NCCC2=CC=CC=C2 1 2.695 2 2 -12.8742015083931 2273020 C1=CC=C(C(=C1)C=NN2C=NN=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.074 5 5 0 -8.84472814937352 2272992 CCN(CC)C(=O)CN(C1=CC(=CC=C1)Br)S(=O)(=O)C 1 1.658 2 3 0 -12.8587361049698 2272991 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=O)C(=NN3)C 1 2.562 4 4 0 -27.4544991339809 2272945 CC1=N/C(=C\C2=CC(=CC(=C2O)Br)Br)/C(=O)O1 1 2.903 1 3 4.40742053193029 2272931 CCCOP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 3.675 0 2 -4.40044220694474 2272930 CCCCCOP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 4.587 0 2 -4.76918166250974 2272916 CN(C)/C=C/C(=C(C(=O)OC)C(=O)OC)N(C)C 1 0.23 2 4 0 -2.56048020162138 2272856 CCOC(=O)/C(=C\C=C\N1CCOCC1)/C(=O)C 1 0.37 1 4 0 -0.783144279118649 2272826 CC1=CN=C(C=C1)NP(=O)(OC2=CC=CC=C2OC)OC3=CC=CC=C3OC 1 4.132 2 5 0 -3.86920064575683 2272806 COC1=CC(=C(C=C1)OC)NP(=O)(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl 1 5.586 1 5 0.15572214995276 2272804 COC1=C(C=C(C=C1)NP(=O)(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl)OC 1 5.586 1 5 -3.2833292386846 2272797 CCC1=CC=C(C=C1)NP(=O)(OC2=CC=CC=C2F)OC3=CC=CC=C3F 1 5.644 1 3 0.788413488809239 2272791 CC(=O)OC1=C(C=C(C=C1)/C=C(/C(=O)NC2=NC=CS2)\NC(=O)C3=CC=CC=C3)OC 1 2.319 3 5 0 -20.6617222706606 2272780 CC(=O)NC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C)OC)/NC(=O)C 1 0.778 3 6 0 -17.4565638257554 2272778 CC1=CC=CC=C1NC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C)OC)/NC(=O)C 1 2.144 2 5 0 -17.7218697762432 2272688 CC1=C([N+](=O)C(=C(N1[O-])C)C2=CC=CO2)C 1 0.33 2 3 0 0.672351336988994 2272534 COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=S)S2)OS(=O)(=O)C3=CC=CC=C3 1 3.96 1 5 -8.72687832018243 2272508 COC1=CC(=C(C=C1)N(CC(=O)NCC=C)S(=O)(=O)C)OC 1 0.59 2 5 0 -19.7232908078911 2272448 COC1=C(C=C(C=C1)NC(=O)C(=O)NCCO)Cl 1 0.413 2 4 0 -11.1585920110975 2272440 COC1=CC=CC(=C1)NC(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C 1 2.509 2 4 -9.59870541557019 2272433 C1CCN(C1)C(=O)C(=O)NN=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl 1 3.573 3 3 -4.70192851469222 2272421 COC1=CC(=CC=C1)OCCOC2=CC=C(C=C2)/C=C/3\C(=O)NC(=S)S3 1 4.44 1 4 1.08712595729657 2272415 CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)OC)C(=O)N(C1=O)C 1 1.482 3 5 0 -10.0820977015248 2272398 CC1=CC=CC=C1NC(=O)C(=O)NCC2=CC=CC=N2 1 1.438 3 2 0 -13.8662463527768 2272364 C=CCNC(=O)CSC1=CC=C(C=C1)Cl 1 2.712 1 1 -8.98393062129342 2272355 COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC=C2 1 2.863 1 3 -12.9077654501037 2272266 C=CCNC(=O)C1=CC=C(C=C1)CN2CCC(CC2)CC3=CC=CC=C3 1 4.385 2 1 -5.02321845540652 2272264 COCCNC(=O)CC1=CC=C(C=C1)Br 1 1.69 1 2 0 -11.4706604475717 2272096 COCCNC(=O)CSC1=CC=C(C=C1)Cl 1 1.965 1 2 0 -9.97800544119571 2272037 CC1=CC=C(C=C1)SCC(=O)NCCOC 1 1.786 1 2 0 -11.8000041317825 2271911 CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3NC2=S 1 4.211 2 1 -2.61650021583563 2271868 C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O)O 1 4.449 2 5 0 -3.17734850136952 2271822 COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=S)N3CCOCC3 1 3.473 1 5 -13.0930449270657 2271808 COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=NCCS3 1 3.403 3 3 -19.6364086435094 2271797 CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=C(C=C3)OC 1 3.806 1 6 0 -18.1130427068512 2271753 CC1=CC(=NO1)NC(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3OC)/SC2=S 1 3.054 3 4 0 -22.0146215321541 2271739 CCOC(=O)CN1C(=O)/C(=C\C2=CC=C(O2)C)/SC1=O 1 1.744 1 5 0 -6.87640660064262 2271723 CCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=O)Cl 1 4.186 0 4 -1.82992433888221 2271720 COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=S)N3CCOCC3 1 3.473 1 5 -15.7406921638278 2271711 CC(C)(C)SCCNS(=O)(=O)C1=CC=C(C=C1)OC 1 2.269 1 3 -6.78514742804527 2271651 CCOC(=O)CN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/SC1=O 1 1.972 1 6 0 -8.94286680174802 2271650 C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3 1 3.793 0 4 -8.69172618025099 2271648 COC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CO2)OC 1 2.384 1 4 -11.7966937510676 2271608 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C(=O)NN=CC3=CC=C(O3)CNS(=O)(=O)C4=CC=C(C=C4)Cl 1 4.142 4 6 0 -6.94579649795113 2271538 CC1=CC=C(C=C1)NC(=O)C(=O)NC2CCCCC2 1 2.648 2 2 -9.16480635615862 2271528 COC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2)S(=O)(=O)C 1 1.573 2 4 0 -17.2505565735475 2271523 CS(=O)(=O)N(CC(=O)NCC=C)C1=CC(=CC=C1)Br 1 1.372 2 3 0 -17.2122944801889 2271496 CCN(CC)C(=O)CN(C1=CC(=CC=C1)OC)S(=O)(=O)C2=CC=C(C=C2)C 1 2.956 2 4 -14.3967257632866 2271449 COCCCNC(=O)CN(C1=C(C=CC(=C1)Cl)OC)S(=O)(=O)C 1 0.586 2 5 0 -19.3976666298102 2271390 COC1=C(C=C(C=C1)Cl)C(=O)NCC#N 1 1.416 2 2 0 -7.05928469427707 2271342 CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)OS(=O)(=O)C3=CC=CC=C3 1 2.331 2 7 0 -18.6747343558709 2271324 C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NN3C=NN=C3 1 2.18 4 3 0 -6.67131507913647 2271295 CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C=NNC(=O)C(=O)N3CCCC3 1 2.955 4 2 -8.84149846819969 2271284 COCCCNC(=O)C1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.246 2 4 -20.3062487486331 2271249 C1CN(CCC1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3 1 4.369 1 1 -1.25473094339999 2271215 CCOC1=C(C=CC(=C1)C=NN2C=NN=C2)OS(=O)(=O)C3=CC=C(C=C3)C 1 2.998 4 4 0 -10.832370375313 2271200 C1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)Br 1 5.488 1 1 -4.30974842663855 2271165 C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)O)OCC3=CC=C(C=C3)C(=O)O 1 3.876 2 5 0 -12.3819861353609 2271151 C1=CC=C(C(=C1)C=NN2C=NN=C2)OCCOC3=CC=C(C=C3)[N+](=O)[O-] 1 2.555 5 4 0 -0.269316574628386 2271086 COCCCNC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C 1 0.602 2 4 0 -18.0173749004743 2271058 CCCNC(=O)C1=C(C=C(C=C1)SC)OC 1 2.436 1 2 -7.17840866501026 2271056 CCNC(=O)CN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CC=C2 1 2.596 2 3 -13.9886970775538 2270969 C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(O3)/C=C(/C#N)\C4=CC(=CC=C4)Br 1 6.098 3 1 -4.01366557860073 2270931 CC1=CC(=C(C=C1)NC(=O)CCSC2=CC=CC=C2)C 1 4.228 1 1 -8.1943793051688 2270925 C=CCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)NC3=O 1 1.98 3 3 0 -7.47584693303699 2270899 CC(C)NC(=O)/C(=C\C1=CC(=C(C=C1)N(C)C)Br)/C#N 1 2.981 3 1 -17.6378542610891 2270864 CCOC1=C(C=CC(=C1)C=NN2C=NN=C2)OS(=O)(=O)C3=CC=CC=C3 1 2.512 4 4 0 -11.7283800145492 2270780 C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NC3=CC=CC(=C3)C(=O)O)/NC(=O)C4=CC=CC=C4Cl 1 3.633 2 6 0 -18.3317367566876 2270749 C1=CC=C(C(=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCC3=CC=CO3)Cl 1 2.819 2 4 -18.6630949397584 2270714 COC1=CC=CC=C1C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)NCC=C 1 3.343 2 3 -22.1219079307725 2270709 CC1CCN(CC1)CCCCOC2=CC=C(C=C2)[N+](=O)[O-] 1 3.658 2 3 -2.08026017757367 2270699 CC1=C(/C(=C/C2=CC=CO2)/C(=O)N1CC=C)C(=O)OC 1 1.702 1 4 0 -14.1036406646304 2270670 C1=CC=C(C=C1)/C=C(/C(=O)NCC2=CC=CO2)\NC(=O)C3=CC=CO3 1 2.155 2 4 -19.2229946052592 2270584 COC1=C(C=CC(=C1)C=NN=C(N)N)OCC2=CC=C(C=C2)Cl 1 3.078 4 2 2.53210316946232 2270566 C1CCN(CC1)C(=O)/C(=C\C2=CC=C(C=C2)F)/NC(=O)C3=CC=CO3 1 2.718 2 3 -16.3639124822745 2270563 C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl 1 5.606 2 1 1.43605451427946 2270561 CC(C)(CC1=CC=C(C=C1)O)NC(=O)CC(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.547 4 5 0 -8.84872145027454 2270550 CS(=O)(=O)NC1=NN=C(S1)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3 1 2.717 4 3 0 -19.1621075823443 2270500 COC1=CC=CC=C1C(=O)N/C(=C/C2=CC=CO2)/C(=O)NC3=CC=C(C=C3)C(=O)O 1 2.58 2 6 0 -17.3138889227468 2270495 COC1=CC=CC=C1C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)NCC(=O)O 1 2.208 2 5 0 -20.66327498288 2270484 C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)F)/NC(=O)C3=CC=CO3 1 3.172 2 3 -13.6600619004584 2270424 C1=CC=C(C(=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NC3=CC=C(C=C3)C(=O)O)Cl 1 3.26 2 5 0 -15.7926566558739 2270415 C1CCC(CC1)C(=O)NNC(=O)C(=O)NC2CCCCC2 1 1.881 3 3 0 -9.0511959165241 2270414 CCCOC1=C(C2=C(C=C1)C3=C(CCCC3)C(=O)O2)OCCC 1 5.045 0 4 -5.64875270904203 2270409 CC(C)(C)OC(=O)COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)OCC(=O)OC(C)(C)C 1 4.38 0 8 0 -8.5331605777292 2270378 CC1=C(/C(=C/C2=CC=C(C=C2)O)/C(=O)N1CCC3=CC(=C(C=C3)OC)OC)C(=O)OC 1 3.319 1 6 0 -12.8093584776872 2270358 C1=CC(=CC=C1C=NN=C(N)N)OCC2=C(C=C(C=C2)Cl)Cl 1 3.759 4 1 7.30082211338107 2270234 CCOC1=C(C=CC(=C1)C=NN=C(N)N)OCC2=CC=C(C=C2)Cl 1 3.427 4 2 1.84837250603426 2270203 CCC1(N(C(=C([N+]1=O)C2=CC=CC=C2)C)[O-])CC 1 1.911 2 2 0 -0.293137225894504 2270178 C1=CC=C(C=C1)S(=O)(=O)NCCOCCNS(=O)(=O)C2=CC=CC=C2 1 1.169 2 5 0 -7.18944587591678 2270170 COC1=CC=CC=C1C(=O)N/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)NC4=CC=CC(=C4)C(=O)O 1 2.952 2 7 0 -19.8529690235605 2270036 COC1=CC=CC=C1C(=O)N/C(=C/C2=CC=CO2)/C(=O)NC3=CC=CC(=C3)C(=O)O 1 2.58 2 6 0 -17.351677853933 2270034 C1=CC=C(C=C1)/C=C(\C(=O)NC2=CC=CC(=C2)C(=O)O)/NC(=O)C3=CC=CC=C3Cl 1 3.865 2 4 -16.8440314495444 2269931 COC1=CC=CC=C1C(=O)N/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NC3=CC=CC(=C3)C(=O)O 1 3.079 3 7 0 -20.939562437905 2269895 COC1=C(C=CC(=C1)C=NN=C(N)N)OCC2=CC=CC=C2Cl 1 3.078 4 2 0.720817494699549 2269800 CC1=[N+](C(C(=[N+]1[O-])C2=CC=C(C=C2)Br)(C)C)[O-] 1 1.247 2 2 0 -0.112426081182114 2269750 CC1=CC(=C(C(=C1)OCCOCCN2CCN(CC2)C)C)C 1 3.237 2 2 3.21589337986794 2269742 CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br 1 4.026 2 1 -0.727450338275214 2269735 CC1CCN(CC1)CCCCOC2=CC=C(C=C2)Br 1 4.512 1 1 0.790926618182666 2269713 CC(C)(CC1=CC=C(C=C1)O)NC(=O)CC(=O)NN=CC2=CC=C(C=C2)Cl 1 3.317 3 3 -4.93232497233048 2269692 C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NCC(=O)O)/NC(=O)C3=CC=C(C=C3)Br 1 1.992 2 6 0 -20.918163459762 2269690 CC1=C([N+](=O)C2(N1[O-])CCCCC2)C3=CC=CC=C3 1 1.995 2 2 0 0.399488852868448 2269688 C1=CC(=CC=C1COC2=CC=C(C=C2)C=NN=C(N)N)Cl 1 3.095 4 1 6.56458091450716 2269665 CC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3 1 3.01 2 1 -4.41631636097986 2269652 CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CO2 1 4.345 2 4 -13.5874248096046 2269646 C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Cl 1 4.28 3 2 -7.56211301803274 2269637 C1=CC=C(C(=C1)/C=C\2/C(=O)NC(=O)N2)Cl 1 1.401 2 2 0 -5.94709348254861 2269609 C1CC2=C(C1)[N+](=O)C=C(N2[O-])C3=CC=C(C=C3)Br 1 1.389 2 2 0 -1.20414740920213 2269543 CC1=CC(=C(C=C1)OCC2=NC(=NO2)C3=CC=CC=N3)Br 1 3.492 3 2 2.26424692965203 2269538 CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C)C 1 3.543 1 4 -8.66495581363324 2269532 C1COCCN1C(=O)/C(=C/C2=CC(=CC=C2)Br)/NC(=O)C3=CC=CO3 1 2.032 2 4 -16.289190477616 2269516 C1=COC(=C1)C(=O)N/C(=C/C2=CC=C(C=C2)F)/C(=O)NC3=CC=C(C=C3)C(=O)O 1 2.801 2 5 0 -15.3713412523003 2269434 CC1=C(C(=CC=C1)C)OCCOCCN2CCN(CC2)C 1 2.751 2 2 1.03256216061348 2269417 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)N 1 1.105 2 5 0 -10.0343457595308 2269415 CC1CCN(CC1)CCOCCOC2=C(C=C(C=C2)Cl)Br 1 4.403 1 2 1.12270952618891 2269401 C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NN=C(N)N 1 1.998 4 3 0 -5.1849077156058 2269367 C1C(=O)NC(=O)N(C1=O)CC2=CC=CO2 1 -7.6e-002 2 4 0 -9.39368064483892 2269365 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)OS(=O)(=O)C4=CC=C(C=C4)Cl 1 3.586 1 5 -4.36173492486791e-003 2269359 C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)CC3=CC=C(C=C3)Br 1 3.51 0 5 -12.5009449935255 2269335 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NCCSCC2=C(C=C(C=C2)Cl)Cl 1 4.926 2 3 -8.6600254235161 2269326 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC)O)/SC2=O 1 3.012 2 5 0 -2.65062609844523 2269302 CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC(=O)C4=CC=CS4 1 5.204 0 4 -13.0762034545525 2269293 CC(C)(C)SCCNC(=O)C1=CC(=CC=C1)[N+](=O)[O-] 1 2.477 2 3 -12.461767355443 2269274 COC1=CC(=CC=C1)OCCSC2=NC(=O)C3=CC=CC=C3N2 1 3.646 2 3 -9.33222122480639 2269266 COC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)O 1 3.866 2 5 0 -14.3298604623854 2269255 COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=C(C=C3)Cl 1 4.138 1 5 -15.0560054837082 2269251 CC1=CC(=C(C=C1)C)OCC(=O)NCC=C 1 2.462 1 2 -9.86931738473788 2269231 C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)NC4=CC=C(C=C4)C(=O)O 1 3.65 2 6 0 -17.1077524486854 2269216 CC1=C(C=C(C=C1)C(=O)NCCCN2CCOCC2)Cl 1 2.077 2 2 -9.30318155970278 2269187 CC1=C(C=CC(=C1)OCCCCOC2=CC(=C(C=C2)S(=O)(=O)N)C)S(=O)(=O)N 1 2.471 2 6 0 -3.99717281248864 2269181 CCOC(=O)CN1C(=O)/C(=C\C2=CC(=C(C=C2)O)[N+](=O)[O-])/SC1=O 1 1.856 2 7 0 -4.5094626613435 2269168 COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)O)OC 1 3.978 2 5 0 -15.8764350024246 2269123 CC(C)(C)SCCNC(=O)COC1=CC=CC=C1 1 2.418 1 2 -11.0328038365755 2269117 CCOC(=O)CN1C(=O)/C(=C\C2=CC3=C(C=C2)N(C(=O)N3C)C)/SC1=O 1 1.478 3 5 0 -13.9471761159779 2269085 CCOC(=O)CN1C(=O)/C(=C\C2=CC(=C(C=C2)OC)[N+](=O)[O-])/SC1=O 1 2.082 2 7 0 -10.9155506927546 2269063 CC1CCN(CC1)CCOCCOC2=CC=CC=C2Br 1 3.738 1 2 -2.027295612593 2269031 CC1=C([N+](=O)C2(N1[O-])CCCC2)C3=CC=CC=C3 1 1.539 2 2 0 0.753957367036527 2269010 CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC2=CC=CC=C2 1 2.475 2 3 -17.1676785160094 2269008 C1=COC(=C1)CNC(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC=C(O3)Br 1 2.118 2 5 0 -19.4962432711864 2268959 CC(=O)N(C1=CC=CC=C1)C2=C(C(=C(C(=C2F)F)F)F)F 1 3.76 1 1 -1.59162963451295 2268933 CCC1=C(NN(C1=O)CCC#N)C 1 0.317 3 1 0 -7.47122103108278 2268868 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O 1 3.625 2 9 0 -2.62234529673193 2268693 CC(C)CC(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)CC(C)C 1 2.993 3 4 0 -11.1406412935373 2268672 COCCCN1C(=NC2=CC=CC=C2C1=O)C3=CC=CO3 1 2.026 2 3 -3.64037146809233 2268655 CC(C)CC(=O)NC(C1=CC(=C(C=C1)OC)OC)NC(=O)CC(C)C 1 3.066 2 4 -11.452929489025 2268647 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 2.005 5 6 0 -18.1784382998746 2268638 C=CCNC(=O)C1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.754 2 4 -8.17219462999168 2268617 COC1=CC=C(C=C1)CNC2=CC=C(C=C2)N3CCOCC3 1 3.055 2 2 -1.83589828233586 2268454 C1=CC=C(C=C1)CCCNC(=O)C2=CC=CC=C2 1 3.398 1 1 -9.32485435119727 2268443 C=CCNC(=O)C1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.754 2 4 -7.92575544400275 2268436 CCCOC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 3.65 2 4 -7.43808334868628 2268421 COC1=CC=C(C=C1)C2CC(=O)C(=CNCCCN3CCOCC3)C(=O)C2 1 0.867 2 4 0 -13.3648761306991 2268406 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2C(=NN=C2C)C 1 0.724 5 3 0 -7.67830308645785 2268365 C1=CC(=CC(=C1)S(=O)(=O)ON=C(C2=CC=NC=C2)N)[N+](=O)[O-] 1 0.987 4 5 0 -2.99924143670434 2268351 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 1.187 3 7 0 -16.5391255730416 2268305 CC(=O)NC1=CC=CC=C1C(=O)C(=O)NC2=CC(=CC=C2)F 1 1.826 2 3 0 -8.48097799125208 2268297 CC1=C(C=CC(=C1)Cl)OCC(=O)NCCOC2=NC(=NC(=N2)N(C)OC)N(C)C 1 2.265 6 4 0 -7.84039594399619 2268289 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.724 5 6 0 -9.09008666895542 2268276 CC(C)(C)NC(=O)CN1C(=O)/C(=C\C2=CC(=C(C(=C2)OC)OC)OC)/SC1=S 1 2.989 2 5 0 -18.3156263749295 2268275 CC(C)(C)NC(=O)CN1C(=O)/C(=C/C2=CC(=C(C(=C2)OC)OC)OC)/SC1=S 1 2.989 2 5 0 -18.3156263749295 2268273 COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)N(C(=S)S2)CC(=O)NC3=NC4=CC=CC=C4S3 1 4.26 3 5 0 -10.1563878288022 2268269 CC1=CC(=CC(=C1Cl)C)OCC(=O)NCCCOC 1 2.441 1 3 -10.7955860115635 2268226 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 2.686 5 5 0 -11.9650345635811 2268220 CC1=C(C2=C(N1OCC=C)C=CC3=NON=C32)C(=O)C 1 -2.8e-002 3 3 0 -4.85127659146812 2268211 CCOC(=O)C(=O)NC1=C(C=CC(=C1)Cl)C 1 2.451 1 3 -3.33015990166559 2268164 C1COCCN1C(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CO3 1 1.283 2 4 0 -18.9134240011244 2268152 CC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C)/NC(=O)C3=CC=CO3 1 2.474 2 6 0 -19.6099131108603 2268128 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=CC=C3/C=C\4/C(=O)N=C(S4)N 1 4.04 2 4 -7.3773729700599 2268116 COC1=C(C=C(C=C1)Br)/C=C\C(=O)NCC2=CN=CC=C2 1 2.67 2 2 -5.86462101567075 2268095 CC1=CC=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2 1 3.223 1 2 -9.26077814144551 2268088 CCN(CC)C(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=CO2 1 2.188 3 5 0 -16.8785802016007 2268049 CC1=CC=C(C=C1)C(=O)/C=C/NC2=CC=C(C=C2)NC(=O)C 1 2.649 2 2 -2.96808149494576 2268032 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/3\C(=O)NC(=S)S3)OC 1 4.446 1 5 -7.83086868094627 2268019 C1CCN(CC1)C(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CO3 1 2.513 2 3 -17.3451275513489 2267974 C1=CC=C(C(=C1)N/C=C/C(=O)C2=CC=C(C=C2)Br)F 1 3.997 1 1 0.776869711536099 2267870 CC(=O)NC1=CC=C(C=C1)N/C=C/C(=O)C2=CC=CC=C2 1 2.163 2 2 -3.7637290624551 2267836 COC1=CC=C(C=C1)/C=C(/C(=O)N2CCCCC2)\NC(=O)C3=CC=CO3 1 2.496 2 4 -17.4887557168839 2267832 C1COCCN1C(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CO3 1 2.032 2 4 -18.2787470120299 2267831 CC1=C(C=CC(=C1)N/C=C/C(=O)C2=CC=CC=C2)Br 1 4.277 1 1 -0.329898739590049 2267801 CC(=O)NC1=CC=C(C=C1)N/C=C/C(=O)C2=CC=C(C=C2)Cl 1 2.827 2 2 -1.14608280435894 2267786 C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC=CO3 1 2.368 2 4 -16.9417557434995 2267765 CC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OC)/NC(=O)C3=CC=CO3 1 2.69 2 5 0 -18.2455393009663 2267693 C1=COC(=C1)/C=C(/C(=O)NCCC(=O)O)\NC(=O)C2=CC=CO2 1 0.514 2 6 0 -21.4399864456874 2267687 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.456 2 6 0 -15.9460732800705 2267686 CCOC(=O)C(=CNC1=C(C=CC=N1)C)C(=O)OCC 1 1.882 2 4 0 -1.79610533961627 2267606 C1COCCN1C(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3 1 1.178 3 6 0 -20.7384837448725 2267597 CCOC(=O)C(=CNC1=CC=CC(=C1C)C)C(=O)OCC 1 2.979 1 4 6.73343787756714e-004 2267592 C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O 1 1.604 2 8 0 -10.4241231349131 2267567 CC(=O)NC1=CC=C(C=C1)N/C=C/C(=O)C2=CC=C(C=C2)Br 1 2.911 2 2 -2.60274254946038 2267566 CC1=CC=CC=C1OCC(=O)NCCOC 1 1.228 1 3 0 -11.3782123169081 2267523 CCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)F 1 2.963 3 1 -13.9505122839209 2267489 CSC1=CC=C(C=C1)S(=O)(=O)NCCSC2=CC=CC=N2 1 2.861 2 2 -5.2830092591565 2267484 CCC1=CC=C(C=C1)N2C(=O)CC(=O)NC2=O 1 1.677 2 3 0 -6.89483598139059 2267474 C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2C(F)(F)F 1 5.309 2 0 -4.95062243039795 2267452 COC1=CC=CC=C1N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.894 2 4 -23.4591155488117 2267441 CCCNC1=NC(=NC(=N1)OCC(F)(F)F)OCC(F)(F)F 1 3.699 4 2 -3.11129880368312 2267437 CC1=CC=C(C=C1)C(=O)/C=C/NC2=CC=C(C=C2)C 1 4.015 1 1 -0.126029749814271 2267427 CC(=O)NC1=CC(=NN1CC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.919 3 1 -4.3741513924351 2267426 CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=C(C=C3)C 1 4.308 1 5 -17.7711194463421 2267413 CC1=CC=C(C=C1)SCCNS(=O)(=O)C 1 1.841 1 2 0 -3.51277042922093 2267388 CC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)Br)C=NNC(=O)N 1 3.659 3 3 -1.49630908224473 2267370 CC1=CC=C(C=C1)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C 1 2.071 3 3 -19.6544064604977 2267325 CC1=CC(=NC(=N1)SC2=NC(=NC(=N2)NC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C)C 1 5.273 8 0 0 -2.60945253669601 2267309 CC1=NN(C(=C1)N)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O 1 2.609 3 4 0 -4.00559954309177 2267307 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC=C(C=C3)Cl)C 1 3.502 4 3 0 -4.62677899215465 2267292 COC1=CC=CC(=C1)N/C=C/C(=O)C2=CC=C(C=C2)Cl 1 3.691 1 2 2.08336875940492 2267286 CC1=CC=C(C=C1)SCCNC(=O)C2=CC=C(C=C2)OC 1 3.698 1 2 -6.00493062741203 2267263 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=C3C(=O)N(C(=O)N(C3=O)C)C 1 2.897 2 6 0 -12.4897946579004 2267260 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)/C(=C\C3=CC=CO3)/S2 1 1.869 3 5 0 -10.5113519416671 2267249 CC1=CC(=CC=C1)N(CC(=O)NCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4 1 4.885 3 3 -18.9165799896252 2267239 CC1=CC=C(C=C1)SCCNC(=O)/C=C/C2=CC=CC=C2Cl 1 4.846 1 1 -3.44714114152329 2267231 COC1=CC(=C(C=C1)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3)OC 1 3.129 3 5 0 -22.1334834400404 2267215 COC1=C(C=C(C=C1)Cl)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 3.81 3 4 0 -20.348945115113 2267204 CC1=CC=C(C=C1)C2=C(N(C3=C([N+]2=O)CCC3)[O-])C 1 1.641 2 2 0 -3.13950982826124 2267185 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCSC2=CC=CC=N2 1 1.44 3 3 0 -12.5072204570247 2267153 C1=CC=C(C(=C1)COC2=CC=C(C=C2)C=NN=C(N)N)Cl 1 3.095 4 1 4.75329523974439 2267147 C1=CC=C(C=C1)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 3.162 3 3 -21.8051092664529 2267114 CC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)OC(C(F)(F)F)C(F)(F)F)NCCO 1 2.985 5 3 0 -8.77682777006499 2267112 CC1=CC(=CC(=C1)N2C(=O)/C(=C/C=C/C3=CC=CO3)/C(=O)NC2=O)C 1 3.482 2 4 2.50434713194681 2267094 CC(C)C1=CC=C(C=C1)N2C(=O)CC(=O)NC2=O 1 1.929 2 3 0 -6.37193814895986 2267084 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NN=C(N)N 1 2.484 4 3 0 -1.77861157053311 2267077 CC1=CC(=CC(=C1)NC2=NC3(CCCCC3)N=C(N2)N)C 1 3.322 5 0 0.429919924204322 2267038 CC1=CC=C(C=C1)SCCNC(=O)C2=CC=CC=C2 1 3.714 1 1 -6.38761198577723 2266910 CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N(C)C 1 3.628 1 4 -11.0527943359826 2266898 C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=CC=C3)OC(=O)C4=CC=CS4)/C(=O)N2 1 3.637 2 4 -10.4696572262053 2266783 C1CCCC(CC1)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 3.824 3 1 -9.66826563961013 2266771 CCOC(=O)CN1C(=O)/C(=C\C2=C(C(=CC=C2)[N+](=O)[O-])O)/SC1=O 1 1.856 2 7 0 -3.22228983900017 2266716 CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 3.762 3 5 0 -11.9946115026717 2266667 C1=CC=C(C=C1)C(=O)CN2C(=O)/C(=C/C3=CC=C(C=C3)O)/SC2=O 1 3.162 1 4 -4.00083497637244 2266660 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/SC2=O 1 2.9 2 5 0 -8.53343320754506 2266626 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4 1 2.458 4 4 0 -24.2661317219668 2266609 CC1=CC=C(C=C1)SCCNS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 3.384 1 4 -8.41721944472105 2266596 CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)NCCCN2CCOCC2 1 1.294 2 5 0 -10.6543242732956 2266592 CC1=CC(=C(C=C1C(=O)C)F)N2CCN(CC2)CCC#N 1 2.359 3 1 -4.92693909614931 2266583 C1COCCN1CCCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.538 2 3 0 -6.29458566261713 2266480 COC(=O)C(CC(C(=O)OC)C(=O)OC)C(=O)OC 1 0.211 0 8 0 -6.46538748755369 2266479 CCC1=C(N(C2=C([N+]1=O)CCC2)[O-])C 1 0.444 2 2 0 -5.55387658208432 2266465 CNC1=NC(=NC(=N1)NC2=CC=CC=C2)OCC(F)(F)F 1 2.748 5 1 -5.23584658760978 2266421 CC1=CC=CC=C1N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 3.648 3 3 -24.0778945240742 2266358 COC1=CC=C(C=C1)OCCNS(=O)(=O)C2=CC=CC=C2 1 2.356 1 4 -5.57516884219257 2266300 CN1C(=O)C(=CC2=CC=C(O2)SC3=CC=CC=C3)C(=O)N(C1=O)C 1 2.914 2 4 -3.47024441996076 2266240 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=C(C=C2)F)C3=CC=CC4=C3N=CC=C4 1 4.106 4 3 0 -14.1735761949004 2266232 COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)/C=C/C3=CC=CO3 1 4.064 1 4 -7.981934429368 2266188 CN1C(=NN=N1)SCC2=CC=C(C=C2)F 1 2.012 4 0 -13.0368107976612 2266182 CNC(=O)C(=O)NCCC1=CC=C(C=C1)Cl 1 1.296 2 2 0 -8.91009277665285 2266166 C1=CSC(=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)NN 1 1.998 3 2 0 -13.7506280565102 2266097 C1=CC=C(C(=C1)CCNC(=O)C(=O)NC2=NC=CS2)F 1 1.411 3 2 0 -12.5600301676721 2266004 COC1=CC=CC=C1OCCNC(=O)C2=CC=CS2 1 2.607 1 3 -11.5634092555183 2265983 CC1=CC(=C(C(=C1)C)NC(=O)C(=O)NCC2=CC=CO2)C 1 2.528 2 3 -11.7781229477272 2265973 C1=CC(=CC=C1NC(=O)CSC2=NC=NN2)S(=O)(=O)N 1 1.5e-002 5 3 0 -18.0398109450754 2265971 C=CCCC(=O)NC1=NC=C(C=C1)Br 1 2.275 2 1 -10.0520323732057 2265965 CC1=C(C(=CC=C1)NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)C 1 2.628 2 4 -9.6173816516434 2265943 CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl 1 4.35 4 0 6.56522131833712 2265927 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3 1 2.571 2 4 -14.7110176371067 2265867 C1COCCN1C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 2.484 1 2 -6.19514797091115 2265856 C1=CC(=CC(=C1)Br)C(=O)NNC(=O)CCCC(=O)O 1 1.257 2 4 0 -15.5274651820991 2265848 CC1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.281 1 4 -13.2742233627475 2265845 CC(C)(C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCCC2)NC(=O)N3CCCC3 1 2.575 4 2 -7.27669602138421 2265829 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NN=CC3=CN=CC=C3 1 2.442 4 2 -17.085088974444 2265816 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC=C(C=C3)F 1 5.825 3 0 -0.32420441143158 2265814 CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)O)OC)Br)C)CSC3=CC=CC=C3 1 5.226 1 4 -0.507285145041367 2265806 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O 1 2.761 2 7 0 -17.5478754157409 2265795 CCOC(=O)C1=C(S/C(=C\N(C)C)/C1=O)C 1 0.809 1 3 0 -7.29239991482208 2265776 CC(=O)CC1=C(C2=CC=CC=C2C(=C1)O)OC(=O)C3=CC=C(C=C3)Br 1 4.441 0 4 -3.47387922511025 2265774 C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NN=CC3=CC=CC=C3OCC(=O)O)/NC(=O)C4=CC=CC=C4 1 2.873 3 7 0 -22.3434818921952 2265768 CC1=C(C(C(=C(N1C)C)C(=O)OC)C2=CC(=CC=C2)Br)C(=O)OC 1 3.156 1 4 -10.8349400093956 2265580 CC(=O)/C(=C(/C=C/N(C)C)\N(C)C)/C(=O)OC 1 0.105 2 3 0 -2.44579650034667 2265531 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.119 3 5 0 -11.5992436674608 2265491 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)C4=CC(=C(C=C4)C(=O)O)C(=O)O 1 4.807 1 6 0 -14.3021221027624 2265467 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NN=CC3=CC=CO3 1 1.461 3 3 0 -10.4820462793705 2265436 C1=CC=C(C(=C1)C(=O)NC2=CC=CC=N2)NC(=O)C3=CC=CC=C3F 1 2.993 3 2 -8.25883146204703 2265381 CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(N=N2)CC(=O)C3=CC=C(C=C3)Br 1 4.139 3 4 0 -16.910942554206 2265379 CCN1C2=CC=CC=C2/C(=C(\C)/OCC)/C1=O 1 2.087 1 2 -2.49050195087085 2265369 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3 1 2.94 2 4 -19.192828280826 2265277 COC1=CC=CC=C1OCCNC(=O)C2=C(C=CC(=C2)SC)Cl 1 3.86 1 3 -7.52666689377417 2265197 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3F 1 3.604 2 2 -8.93370492142637 2265316 CCC(=O)OC1=C(C=C(C2=C1C(=C(N2C)C)C(=O)OCC)C)O 1 3.357 1 5 -5.49097700860102 2265294 CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NC(=O)/C=C\C(=O)O 1 3.689 2 3 2.60408461102476 2265290 CC1=NC2=C(C=CC=C2SCC(=O)N3CCOCC3)C=C1 1 1.794 2 2 0 -10.5912998549055 2265193 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=CC=CO2 1 1.915 1 4 0 -19.33606232334 2265220 C1=CC=C(C=C1)C2=C(C3=C(O2)C(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-])Br 1 4.238 2 6 0 6.57883097850017 2265207 CN1C(=NN=N1)SCC2=NC3=CC=CC=C3N2 1 1.516 6 0 0 -14.1005066399152 2265259 CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)C2=CC(=CC=C2)NC(=O)C(C)(C)C 1 4.567 2 3 -11.6815582480175 2265253 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=CC=CC=C2Cl 1 3.398 1 3 -18.5462150792809 2265248 CC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.398 1 3 -15.3605769582106 2265240 CN1C/C(=C\C2=CN=CC=C2)/C(=O)/C(=C\C3=CN=CC=C3)/C1 1 1.606 3 1 0 1.24751340292326 2265043 C=CCC1=CC=CC=C1OCCSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 5.531 2 3 -7.97851584765386 2265051 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=CC=C3 1 3.049 3 2 -5.9484583584266 2265052 CN1C(=O)CSC1=NC2=CC=C(C=C2)Br 1 2.836 2 1 -3.46456122197243 2265162 C1=CC=C(C=C1)CN/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)O)/NC2=O 1 1.607 2 3 0 -5.21612113105047 2265071 CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C(C)(C)C 1 2.717 3 4 0 -19.460689245552 2265088 C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CC(=O)NC3=NC=CS3 1 0.39 4 5 0 -10.9800989322136 2264893 COC1=CC=C(C=C1)C2=C(C(=CO2)C(=O)O)C(=O)O 1 1.986 0 6 0 1.63803220563207e-002 2264883 C1=CC(=CC=C1[N+](=O)[O-])OC2=CC3=C(C=C2)C(=O)N(C3=O)CCCO 1 1.839 2 6 0 -1.75963290661583 2264863 C1CN(CCN1CC(=O)NC2=CC=CC=C2F)C3=CC=CC=C3F 1 2.996 3 1 -2.42634857353642 2264847 CCN(CC)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F 1 3.651 4 1 -5.33130762079936 2264841 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4S3 1 2.726 4 2 -19.9546114866596 2264836 CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3OC)F 1 3.261 3 2 -1.53906920402132 2264834 COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F 1 2.775 3 2 -1.58886509090588 2264828 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.012 2 5 0 -10.1961474735873 2264736 CCCCC1CCC(CC1)C2=NC(=NO2)C3=CC=CC=N3 1 4.505 3 1 0.422796155694313 2264794 C1CN(CCN1C2=CC=C(C=C2)C(=O)C3=CC(=CC=C3)F)C(=O)C4=CC(=C(C=C4)F)F 1 4.894 2 2 0.124216436167572 2264783 CC\1=C(C(=O)NC(=O)/C1=C/C2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N)C#N 1 1.748 3 5 0 -3.98645304141508 2264658 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NC(C)(C)C 1 1.577 3 4 0 -16.0235954946441 2264651 CC1=NO[N+](=C1COC2=C(C=C(C=C2)C=NN3C(=NN=N3)N)OC)[O-] 1 -2.257 8 4 0 -9.3554989134154 2264590 C1=CC(=CN=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)O)/SC2=S 1 3.238 2 2 -3.2612804746969 2264466 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCOCC3 1 3.359 2 5 0 -16.0405568846766 2264449 CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.408 1 5 -1.82636042551169 2264394 CC(C)(C)SCCNC(=O)NC1=CC=CC=C1 1 2.491 2 1 -8.61471826848114 2264379 C#CCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)/SC1=O 1 4.839 1 5 -4.67877691407776 2264373 C1=CC=C(C=C1)OCCCN2C=C(C3=CC=CC=C32)C=O 1 3.783 1 2 -3.09972256428759 2264352 COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=C(C=C3)C(=O)O)O 1 3.303 2 6 0 -12.4579093397698 2264287 COC(=O)CCC(=O)NC1=CC=CC2=CC=CC=C21 1 1.929 1 3 0 -14.1850305001411 2264273 CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NCC1=CC=CC=C1 1 3.745 2 2 -7.96151027326833 2264266 CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NC=C(C=C1)C 1 3.418 3 2 -10.1144711157225 2264256 CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)OC 1 3.999 2 3 -8.54843953980462 2264253 CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NN=C(S1)SCC 1 3.449 4 2 -17.4451565322821 2264233 COC1=CC=CC=C1OCC(=O)NCCSCC2=CC(=CC=C2)Cl 1 3.718 1 3 -12.1751354439616 2264232 CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=CC=C2)OC 1 3.698 1 2 -6.55276257767299 2264221 CC1=CC(=C(C=C1)Cl)OCCOCCOC2=C(C=C(C=C2)C=O)OC 1 4.208 0 5 -7.66770163255123 2264212 COC1=C(C=CC(=C1)C=O)OCCOCCOC2=C(C=C(C=C2)Cl)Cl 1 4.386 0 5 -6.40481861484704 2264204 CC1=CC=C(C=C1)CSCCNC(=O)CN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C 1 3.662 2 3 -18.9890923762848 2264155 CC1=NO[N+](=C1COC2=CC=CC=C2/C=C\3/C(=O)NC(=S)N3)[O-] 1 -0.991 4 4 0 -7.16306569421914 2264137 COC1=CC=CC=C1OCCSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 4.507 2 4 -7.26800150811251 2264043 CCOC1=C(C=CC(=C1)C=NN2C(=NN=N2)N)OCC3=[N+](ON=C3C)[O-] 1 -1.908 8 4 0 -10.0392295768435 2264012 CC(C)OC1=CC=C(C=C1)CCC2=NNC(=S)N2C3=CC=CC=C3 1 4.879 3 1 -6.56421779953348 2263954 CC1=CC=C(C=C1)C2=C/C(=C\C3=CC(=CC=C3)OC(=O)C)/C(=O)O2 1 3.804 0 4 -3.65718618452366 2263920 CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)/C=C/C2=CC=CS2 1 4.809 2 3 -16.8753122230575 2263885 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCOC)C2=CC(=C(C=C2)OC)OC 1 1.905 2 6 0 -22.9188599097559 2263871 CCOC(=O)C1=CC=CC=C1NC(=O)C(=O)OCC 1 1.504 1 5 0 -10.4849856729099 2263841 CCN1C2=C(C=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C4=CC=CC=C41 1 5.043 3 3 -3.1754806326166 2263829 C1COCCN1C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)Cl 1 3.596 2 2 -2.91384824659433 2263811 CC1=CC=CC=C1NC(=O)/C(=C\C2=CSC=C2)/C#N 1 3.069 2 1 -14.9884523403023 2263758 CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C4=CC=CC=C41 1 5.043 3 3 -5.30468814758084 2263698 CC1=CN=C(C=C1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 3.749 2 2 -6.4579805976286 2263667 CC1=CC(=CC=C1)NC(=O)/C(=C\C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N 1 3.388 3 3 -13.0479270682415 2263521 CC1=CC=C(C=C1)C\2=NOC(=O)/C2=C\C=C\C3=CC=CC=C3 1 4.34 1 2 9.63661877111505 2263466 COC1=CC=CC(=C1)C=NNC(=O)C2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.883 4 2 -1.91591100696676 2263406 C#CC1=CC(=CC=C1)NC(=O)CC2=CC=CS2 1 3.729 1 1 -4.64668708793809 2263404 CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)O 1 0.91 8 3 0 -22.6349815482563 2263373 C1=CC(=C(C=C1CC2=CC(=C(C=C2)NC(=O)CCC(=O)O)O)O)NC(=O)CCC(=O)O 1 1.251 2 8 0 -9.2738319408647 2263315 CC1=C(C(=CC=C1)OCC(=O)NN=C/C=C/C2=CC3=C(C=C2)OCO3)C 1 3.619 2 4 -5.23613737875611e-002 2263313 CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CNC(=O)NC4=O 1 -0.146 4 7 0 -22.7520811788228 2263230 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)/C(=C/C4=CC=CC=C4)/SC3=S 1 5.057 2 4 -20.6324877850092 2263192 C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5O4 1 5.213 2 4 6.08339343416836 2263166 CC1=C(SC(=N1)N)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.216 5 2 0 6.77179338773002 2263138 CC1=CC(=C(C=C1)C)NC(=O)/C(=C\C2=CC(=C(C=C2)OC)C(=O)O)/C#N 1 3.507 2 4 -16.1503518431154 2263132 COCCNC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2 1 2.682 1 2 -15.683676180652 2263119 C1=CC=C(C(=C1)OCCNCCO)F 1 1.082 1 2 0 3.64303449051797 2263096 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=NCC3=CC=CC=C3)S2)CC4=CC=CC=C4)OC 1 5.542 2 3 -9.63283130713356 2263090 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NC3=CC=CC=C3 1 3.524 2 2 -16.2181192444417 2263078 C1OC2=C(O1)C=C(C=C2)/C=C(/C#N)\C(=O)NC3=CC=C(C=C3)O 1 2.447 2 4 -10.9428105410997 2263065 CC1=C(C(=CC=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)OC)C(=O)O)/C#N)C 1 3.507 2 4 -13.2256129832926 2263050 COC1=C(C(=CC=C1)OC)OCCNCCO 1 0.844 1 4 0 1.88217246418659 2262948 COC1=C(C(=CC=C1)OC)OCCCOC2=C(C=CC=C2OC)OC 1 3.442 0 6 -1.00355861192545 2262896 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=N3 1 3.317 3 3 -18.3437037193377 2262888 CCC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)OC)C(=O)O)/C#N 1 3.477 2 4 -14.6979664658309 2262864 CC1=C(C=CC(=C1)OCCCN2CCCC2)Cl 1 3.626 1 1 4.92326940737336 2262811 C1=CSC(=C1)CCCCC2=NN=C(O2)N 1 1.859 3 1 0 -8.20334514695871 2262711 CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCCSC2=CC=CC=N2)C3=CC=CC=C3 1 3.317 3 3 -18.0310889029059 2262705 C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)O)[N+](=O)[O-])/SC2=S 1 4.283 2 4 -1.69440451567051 2262698 COCCCNC(=O)CC1=CC=CC=C1OC 1 0.988 1 3 0 -15.0097909166777 2262690 CC1=CC=C(C=C1)CSCCNC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3 1 4.415 2 3 -15.6303890944482 2262661 C1COCCN1C(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CC=C3 1 1.841 2 3 0 -20.2946290405099 2262658 CN1C(=O)/C(=C\C2=CC=CC=C2OCC3=CC=CC=C3)/SC1=S 1 4.614 1 2 -4.31872549572375 2262639 COC1=C(C=CC(=C1)/C=C\2/C(=O)N=C(S2)N)OCC=C 1 2.58 2 3 -11.7173937854728 2262624 CCCCNC1=CC(=O)N(C(=O)N1C)C 1 0.941 3 2 0 -10.793028871978 2262525 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NCC=C 1 3.019 2 3 -15.9451126826115 2262510 CCOC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C 1 2.536 2 4 -19.6601362343595 2262468 CN1C(=O)/C(=C\C2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC)/SC1=S 1 3.858 1 5 -11.8038852312971 2262441 COCCCNC(=O)C1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC 1 3.23 2 5 0 -19.3614010075834 2262434 CC1=CC=C(C=C1)N(CC(=O)NCCCN(C)C)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.237 3 5 0 -23.655343708513 2262399 CC1=CC(=CC(=C1Cl)C)OCCNCCO 1 2.513 1 2 4.92914915621511 2262388 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O 1 2.368 1 5 -11.7970516036312 2262351 CN(C)CCCNC(=O)C1=CC=C(C=C1)CN(C2=CC=CC=C2)S(=O)(=O)C 1 1.939 3 3 0 -14.583469799868 2262330 CCOC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 3.2 2 4 -17.023322638993 2262289 CCOC1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C(=C(Cl)Cl)O2)OC)OC 1 4.547 0 4 1.27665924598258 2262203 CCOC1=CC=C(C=C1)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C 1 1.918 3 4 0 -20.8335958213499 2262197 CCOC(=O)C(=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])OC)C(=O)OCC 1 4.111 1 8 0 -4.95547800564709 2262188 COC1=C(C(=CC=C1)OC)OCCCCN2CCCC2 1 3.022 1 3 1.63376449937264 2262184 CC1=CC=CC=C1NC(=O)/C(=C\C2=CC(=C(C=C2)OC)C(=O)O)/C#N 1 3.021 2 4 -16.7965650311909 2262142 C=CCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])/C(=O)NC1=O 1 2.786 3 6 0 -7.39392343204133 2262138 CCCNC1=CC(=O)N(C(=O)N1C)C 1 0.484 3 2 0 -9.35780182170369 2262132 CC(C)(C)NCCOC1=CC2=CC=CC=C2C=C1 1 3.256 1 1 0.722707146631388 2262121 CN(C1=CC=C(C=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 4.593 2 3 -13.8083904038614 2262106 CC(C)(C#CCN1CCCC1)OCCC#N 1 1.801 2 1 0 -2.08945126889717 2262095 CCOC1=CC=CC=C1OCCCCN2CCCC2 1 3.388 1 2 0.124760405400991 2261970 C1=CC(=CC(=C1)Br)N2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=CC(=C4)[N+](=O)[O-])O)/C(=O)N2 1 3.857 3 6 0 4.4997557018954 2261856 CC1=CC(=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)OC)C(=O)O)/C#N)C 1 3.507 2 4 -17.1340512563993 2261646 COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)Cl 1 4.339 1 4 -1.89361274215261 2261647 CCOC(=O)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C 1 1.681 2 5 0 -7.47500531156901 2261656 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)F 1 2.424 2 4 -6.9897493450973 2261752 COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC=C(C=C2)Cl)[N+](=O)[O-] 1 2.417 3 5 0 -7.60097109168477 2261739 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2Cl)C3=CC(=C(C=C3)OC)OC 1 4.277 2 5 0 -16.0522513359273 2261621 COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)N4CCOCC4 1 2.59 3 5 0 -20.4813427142954 2261605 CC1=CC(=C(C=C1)OC)NC(=O)C(=O)NC2=C(C=CC(=C2)C)OC 1 2.82 2 4 -6.92077605034302 2261603 COC1=C(C=C(C=C1)C2(CCCC2)CNC(=O)/C=C\C3=CC=CO3)OC 1 3.906 1 4 -17.1505739869458 2261569 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)/C(=O)NC2=O 1 2.84 3 8 0 -8.00910783007098 2261547 C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)SC3=CC=CC=N3)SC4=CC=CC=N4 1 3.278 3 5 0 -15.8833909049779 2261487 CCCNC(=S)NC1=CC=CC(=C1)C(F)(F)F 1 4.327 2 0 -5.46466582055092 2261372 COC1=CC=CC=C1N(CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C 1 2.18 2 4 -19.4492277066784 2261366 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC=CC=C3 1 3.078 2 1 -0.957867706379371 2261361 C1=COC(=C1)CSCCNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.779 2 4 -8.52215920234541 2261357 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCSCC2=C(C=C(C=C2)Cl)Cl 1 3.387 2 3 -8.66720567254942 2261344 C1COCCN1C(=O)C2=CC(=C(C=C2C(=O)O)Cl)Cl 1 1.89 1 4 0 -7.77937261896548 2260994 COCCNC(=O)C1=CC=C(C=C1)CN2CCC3=CC=CC=C3C2 1 2.639 2 2 -12.8651396297009 2260858 CCOC1=CC=C(C=C1)N(CC(=O)NCCCOC)S(=O)(=O)C 1 0.27 2 5 0 -20.9806455398921 2260830 COC(=O)C1=CC=C(C=C1)C=NNC(=O)CC(=O)NCC2=CN=CC=C2 1 0.696 4 4 0 -15.7467676052098 2260787 C1=CC=C(C=C1)NC(=S)NCCSCC2=CC=CC=C2Cl 1 5.374 2 0 -10.6998847455805 2260658 C1=CC=C(C(=C1)N/C=C/C(=O)C2=CC=CC=N2)Br 1 3.069 2 1 -2.28250129859902 2260604 C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4 1 4.346 2 1 -7.22180127600723 2260598 COC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2Cl)OC 1 3.867 1 3 -14.1070468269328 2260550 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NCC=C 1 2.355 2 3 -18.5819262779779 2260512 C1COCCN1CCCNS(=O)(=O)C2=CC=C(S2)Cl 1 0.875 2 3 0 -4.36571248451464 2260464 C1=CC(=C(C(=C1)Cl)C=NNC(=O)CC(=O)NCC2=CN=CC=C2)Cl 1 2.169 4 2 -13.7026706554038 2260458 CCCOC1=CC=CC(=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 4.017 2 3 -9.05495524759586 2260437 CC(=C1C(=O)C2=CC=CC=C2C1=O)NCCCN(C)C 1 1.437 2 2 0 -4.05649889471993 2260394 CC1=CC=C(C=C1)N(CC(=O)NCCOC)S(=O)(=O)C2=CC=C(C=C2)SC 1 2.48 2 4 -17.3248186306621 2260093 C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NNC(=O)CN 1 1.169 3 3 0 -7.32792099315398 2260062 C1=CC=C(C=C1)/C=C/C(=O)NCCSCC2=CC=CC=C2Cl 1 4.367 1 1 -9.07847130495009 2259994 CN1C(=O)/C(=C\C2=CC=C(C=C2)N(C)C)/OC1=S 1 2.651 2 2 -3.10861576213338 2259985 CCN\1C2=CC=CC=C2S/C1=C/3\C(=O)N(C(=S)S3)CC4=CC=CC=C4 1 5.644 2 1 -1.52255060150633 2259972 CCN1/C(=C\2/C(=O)N(C(=S)O2)C)/C=CC3=CC=CC=C31 1 2.918 2 2 -0.139054380027602 2259955 CN\1C=CC=C/C1=C\2/C(=O)N(C(=S)O2)C 1 0.898 2 2 0 -5.67101728346088 2259949 CN\1C=CC=C/C1=C\2/C(=O)N(C(=S)S2)C3=CC=CC=C3 1 3.032 2 1 -7.02721654970681 2259930 CCCCNC(=C(S(=O)(=O)CC)S(=O)(=O)CC)NCCCC 1 2.559 2 4 -9.00550755810572 2259918 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O 1 2.033 3 7 0 -7.20887760102295 2259785 COCCNC(=O)C1=CC=C(C=C1)CN2CCOCC2 1 0.668 2 3 0 -10.5481066368186 2259761 CCOC1=CC=C(C=C1)N(CC(=O)NCC(C)C)S(=O)(=O)C 1 1.531 2 4 0 -17.9402172067015 2259677 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)O 1 4.078 1 3 -9.21513377579047 2259539 CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NCCCN2CCOCC2 1 2.795 2 2 -6.41411699340868 2259442 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CO4 1 3.92 2 3 -10.1211090182996 2259209 C/C(=C\COC1=CC=C(C=C1)NC(=O)C)/Cl 1 2.119 1 2 -5.86450886450371 2259127 COC1=CC=CC=C1C(=O)NNC(=O)C(=O)N2CCCCC2 1 0.668 3 4 0 -13.6863109360436 2259110 COC1=C(C=C(C=C1)C(=O)NNC(=O)C(=O)N2CCCCC2)OC 1 0.651 3 5 0 -15.7538044281894 2259109 CC1=CC(=CC(=C1)OCC(=O)ON=C(C2=CC=CC=N2)N)C 1 2.472 3 3 0.335815558522751 2259104 COC1=CC=C(C=C1)OCC(=O)NCCCN2CCOCC2 1 0.745 2 4 0 -11.4615235549351 2259039 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NO3)C4=CN=CC=C4 1 3.513 3 1 5.48597240358309 2258992 CCOC(=O)C1=C(C2=CC=CC=C2CC13CCCC3)NC(=S)NC(=O)C4=CC=CC=C4 1 5.424 2 3 -12.2602426695416 2258991 CCSC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4=CC=CC=C4 1 4.174 3 1 -22.0020935902721 2258983 CN1C(=O)C2=C(N=C1SC)SC3=C2CCC3 1 2.95 2 1 -14.9591943188062 2258974 C1=CC=C(C(=C1)OCCSC2=NC=NC3=C2NC=N3)F 1 2.68 4 1 -3.0520133775677 2258798 CC1=CC=C(C=C1)N2C(=NN=N2)SCCOC3=CC=CC=C3OC 1 3.902 4 2 -15.7432124659804 2258754 C1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3O2 1 4.071 1 2 -0.373602520191863 2258593 CCOC1=CC=CC(=C1)N2C(=O)/C(=C/C3=CC=CO3)/C(=O)NC2=S 1 3.273 2 4 -0.349743976315144 2258498 CC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC(=CC=C3)OC)/C(=O)N2)C 1 3.208 2 3 -4.05082976220408 2258276 CCCC1=NN=C(S1)NC(=O)CSC2=NC=NN2 1 1.167 6 1 0 -19.1211064590555 2258059 C1CCCN(CC1)C(=O)C(=O)NN=CC2=CC(=CC=C2)O 1 1.71 3 3 0 -7.60705837925925 2258047 CC1=CC(=NO1)N/C=C/C(=O)C2=CC=C(C=C2)OC 1 1.693 2 3 0 -6.88830048446275 2258032 CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)/C=C\C(=O)O 1 3.771 1 4 5.71836061861083 2258010 CC1=CC(=CC(=C1)NC(=O)C(=O)NCCCN2CCOCC2)C 1 1.165 3 3 0 -13.2019680748779 2257914 C1COCCN1CCCNC(=O)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl 1 2.285 2 4 -14.6465935576495 2257886 C1=CSC(=C1)CNC(=S)NC2=CC=C(C=C2)Cl 1 4.5 2 0 -7.93423459220262 2257876 C1COCCN1CCCNC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 3.729 3 1 -7.79199486194919 2257873 COC1=C(C=CC(=C1C(=O)OCC(=O)O)Cl)Cl 1 2.479 0 5 -8.02746379742546 2257843 CC1=CC=C(C=C1)CN/C=C/C(=O)C2=CC=C(C=C2)Br 1 4.006 1 1 0.62942544788395 2257838 COC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCC(CC3)C(=O)O 1 2.331 2 8 0 -19.5391311558474 2257831 CC1=CC=C(C=C1)NC(=S)NCCCN2CCOCC2 1 2.887 3 1 -10.6289542618614 2257807 CC1=CC(=CC=C1)NC(=S)NCCCN2CCOCC2 1 2.887 3 1 -8.74130870853228 2257756 C1=CC(=CN=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC=C(C=C4)Br 1 4.027 4 2 -8.19675883250234 2257755 COC1=CC=C(C=C1)N/C=C/C(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.977 1 5 -4.23882993285876 2257712 C1COCCN1C(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CC=C3Br 1 2.032 2 4 -17.4352385257586 2257691 CC1=C(C(=NN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)Cl 1 2.915 3 3 -4.05873589244283 2257667 CC1=CC(=NN1CC(=O)NCCOC)C(F)(F)F 1 0.925 3 2 0 -16.5163693982126 2257644 C1CCCN(CC1)C(=O)C(=O)NN=CC2=CC=C(C=C2)C(=O)O 1 1.582 3 4 0 -11.8158458535895 2257517 CCNC(=S)NNC(=O)CCN1C2=CC=CC=C2C3=CC=CC=C31 1 3.567 4 1 -10.1861126035971 2257480 CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CN(C4=CC=CC=C43)C)/SC2=O 1 4.71 2 2 0.761750570588175 2257388 CC1=CC(=NN1C(=O)C2=CC=C(C=C2)Br)NC3=CC=CC=C3 1 4.274 3 1 -0.929968305518381 2257313 CC1=C(C(=O)NC(=O)N1)N(CCOC(=O)C)CCOC(=O)C 1 -1.048 3 6 0 -14.5540271887895 2257335 COC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] 1 5.246 3 4 0 -2.09621160742931 2257324 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCCSCC3=CC(=CC=C3)Cl 1 4.135 1 3 -8.08971781818274 2257287 CCN1C(=O)/C(=C\C=C\C2=CC=CC=C2[N+](=O)[O-])/SC1=S 1 3.758 2 3 -0.575060356383162 2257253 COC1=CC=CC=C1NC(=O)C(=O)NCC2=CC=NC=C2 1 0.72 3 3 0 -12.9841061846557 2257109 CC1=NC(=CC(=N1)NNC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3 1 3.991 4 1 1.09047584120618 2257094 CCOC(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=CO3)C(F)(F)F 1 3.448 3 3 -10.0029394079919 2256979 COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)N2CCOCC2)Br 1 1.97 2 3 0 -12.9215900236632 2256906 CC(=O)/C=C/1\N(C(=CS1)C2=CC=C(C=C2)Br)C3=CC=CC=C3 1 4.664 1 1 1.08080773609881 2256886 C1=CC=C2C(=C1)N=C(O2)SCCOC3=CC=CC=C3F 1 4.276 1 2 0.121612566821775 2256748 COC1=CC=C(C=C1)C(=O)/C=C/NNC(=O)C2=CC=C(C=C2)Cl 1 2.598 2 3 1.07383220531879 2256629 COC1=CC(=C(C=C1)NC(=O)C(=O)NCC2=CC=NC=C2)OC 1 0.704 3 4 0 -14.0210697412814 2256302 C1CCCN(CC1)C(=O)C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 1.846 4 4 0 -12.1916097941194 2256248 COC1=CC(=C(C=C1)OC)NC(=O)C(=O)NCC2=CC=NC=C2 1 0.704 3 4 0 -12.1137018626145 2256173 COC1=C(C=C(C(=C1)/C=C(/C(=O)NC2=CC(=CC=C2)O)\NC(=O)C3=CC=CC=C3)[N+](=O)[O-])OC 1 3.191 3 7 0 -17.0447132043834 2256111 C1COCCN1CCNC=C2C(=O)CC(CC2=O)C3=CC=CC=C3 1 0.821 2 3 0 -13.5690292777984 2256107 C=CCNS(=O)(=O)C1=CC2=NSN=C2C=C1 1 1.485 3 2 0 -5.67248853610105 2256105 CC1(N(C2=CC=CC=C2N1C)C)C3=CC=CC4=CC=CC=C43 1 4.603 2 0 1.58117039060182 2256092 C=CCNC(=O)C1=CC2=NC=CN=C2C=C1 1 1.119 3 1 0 -10.3185900244116 2256079 C1=CC=C2C(=C1)N=C(S2)SCC(=O)NNC(=S)NC3=CC=C(C=C3)Br 1 5.041 4 1 -10.8289510465574 2256076 COC1=C(C=C(C=C1)CCNC(=O)CC(=O)NN=CC2=CC=C(C=C2)C(=O)O)OC 1 1.909 3 6 0 -15.9235565818159 2256070 CCCCSC1=NC(=O)C(=NN1)C2=CC=CC=C2N 1 2.807 4 1 -11.8356653939393 2256034 C1=CC=C(C(=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O)[N+](=O)[O-] 1 1.963 3 6 0 -4.19787869215826 2256009 CCCCOC1=NC(=NC(=N1)N)C2=CC=CC=C2 1 3.173 4 1 2.22317520548885 2255935 CCCOC1=CC=C(C=C1)CCC(=O)O 1 2.806 0 3 -5.31401583018071 2255916 COC1=CC=CC=C1NC(=O)CCCC(=O)OCC#C 1 2.653 1 4 -19.4503180093584 2255904 CC1=CC=C(C=C1)SCCC2=CC=[N+](C=C2)CC(=O)C3=CC=CC=C3 1 5.623 1 1 0.577051004939186 2255843 CC1=CC(=CC=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Cl)C 1 3.762 2 1 5.38572895493861e-004 2255837 CC\1(C2=CC=CC=C2N(/C1=C\C=NC3=CC4=CC=CC=C4C=C3)C)C 1 5.222 2 0 19.5359448511945 2255761 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(C2=O)(C)C 1 3.839 1 2 -1.30704755604726 2255744 C1=CC=C(C=C1)NC(=O)OCCCCCOC(=O)NC2=CC=CC=C2 1 4.104 2 4 -3.0924257525361 2255695 C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)NCCCC(=O)O)C(=O)O 1 1.436 2 8 0 -15.8516205018594 2255653 C1=CSC(=C1)C(=O)NCC2=CC=C(C=C2)F 1 2.78 1 1 -7.59219947399701 2255601 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)NC3=CC=C(C=C3)OC 1 2.89 3 3 -15.8574261497516 2255595 CCCCOC(=O)NC1=NN=C(S1)CC2=CC=C(C=C2)Cl 1 4.02 3 2 -9.70890048221589 2255577 COC1=C(C=C(C=C1)CCNC(=O)CC(=O)NN=CC2=CC=C(C=C2)Br)OC 1 3.028 3 4 0 -13.5928899195905 2255532 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=C(C=C3)F 1 3.312 2 3 -2.60815744373052 2255475 COC1=CC(=C(C=C1)NC(=O)C(=O)NNC(=O)C2=CC=CS2)OC 1 1.058 3 5 0 -14.6733626902878 2255407 C1=CC=C(C=C1)C(=O)/C=C/NC2=CC(=CC=C2)O 1 2.801 1 2 1.95635192372209 2255410 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.66 3 5 0 -11.8036564715311 2255346 C1=CC=C(C=C1)CNC(=O)C(=O)NC2=NC=CS2 1 0.885 3 2 0 -11.1303671439737 2255322 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CCC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.442 4 5 0 -19.0624398110788 2255302 CCCCCCCCCSC1=NNC(=N1)N 1 4.057 4 0 -3.96067384744155 2255208 CCO/C=C\1/C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3 1 2.673 1 3 -5.04696031539381 2255194 C1=CC=C(C=C1)C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.186 2 4 -9.59354064750439 2255182 COCCNC(=O)C1=CC(=C(C=C1)Cl)Cl 1 2.236 1 2 -8.73778047089363 2255181 CCC1=C(C=C(S1)/C=C(/C#N)\C(=S)N)[N+](=O)[O-] 1 2.667 3 2 -7.39054281882116 2255059 CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C=C/C2=CC=CC=C2)/C(=O)NC 1 3.775 2 3 -12.8180031645768 2255031 CC(C)CNC(=S)NC(=O)C1=CC=C(C=C1)Cl 1 3.767 2 1 -8.28659943584697 2255019 CC1=CC=C(C=C1)C(=O)NC(=S)NCCCOC 1 2.329 2 2 -14.0737931016858 2255012 CC1(C(=O)/C(=C\NC2CCCCC2)/C3=C(O1)C=CC4=C3OC(=O)C=C4)C 1 3.386 1 4 -1.63942457240137 2255011 C1CN(CCN1C(=O)C2=CC=CC=C2F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.819 2 5 0 -21.698348095225 2255005 C1=CC=C(C=C1)CCNC(=S)NC2=CC(=CC=C2)F 1 4.622 2 0 -6.56532447396763 2254973 COC1=CC=C(C=C1)NC(=S)N2CCCC2 1 3.492 2 1 -10.678234269913 2254951 C1=CC=C2C(=C1)C3=C(C(=O)O2)N=NN3CCO 1 1.313 3 3 0 -7.10463568562071 2254949 C1=CC(=CC(=C1)F)NC(=S)NCC2=CN=CC=C2 1 3.15 3 0 -7.73725940191595 2254937 CCOC(=O)C1=C(S/C(=C\C2=CC(=C(C(=C2)OC)O)OC)/C1=O)NC3=CC=C(C=C3)OC 1 4.048 1 7 0 -4.48681125371309 2254918 C1COCCN1CCNC(=S)NC2=CC=C(C=C2)Br 1 3.087 3 1 -10.0708278778606 2254911 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)N 1 1.771 6 3 0 -25.1483664489876 2254887 COC1=NC=C(C=C1)NC(=O)/C=C/C2=CC=CO2 1 1.849 2 3 0 -7.01339440977219 2254881 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])/SC2=O 1 2.906 3 7 0 -5.63130144613154 2254838 C1=CC=C(C=C1)CCCOC(=O)NC2=CC=CC=C2 1 3.954 1 2 -2.50682177595018 2254835 C1=CC=C(C=C1)N=C2N(C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/S2)C4=CC=CC=C4 1 5.191 2 3 -5.57089233820089 2254790 C1=CC=C(C=C1)CCNC(=O)CC(=O)NN=CC2=CC=C(C=C2)C(=O)O 1 1.942 3 4 0 -12.3272905490824 2254770 CCOC(=O)C(CCC1=NN=C(S1)N)C(=O)OCC 1 0.874 3 4 0 -8.04656361214728 2254717 COC1=CC(=C(C=C1)NC(=O)C(=O)NN=CC2=CN=CC=C2)OC 1 0.766 4 4 0 -11.0086972672009 2254703 C1=CC=C(C=C1)N=C2N(C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)O)/S2)C4=CC=CC=C4 1 5.026 2 4 -8.96953558581777 2254701 COC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=CS2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 3.132 3 6 0 -21.170304193995 2254691 COC1=C(C=C(C=C1)CCNC(=O)CC(=O)NN=CC2=CC(=CC=C2)OC)OC 1 2.263 3 5 0 -13.8855647222382 2254616 C1=CC(=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)C(=O)NC5=NC=CS5 1 3.023 4 5 0 -13.0935961450791 2254521 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)NC3=O 1 1.955 2 5 0 -9.26382774048027 2254462 CCOC(=O)C1(CCC1)P(=O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl 1 5.801 0 3 -0.553612878449236 2254375 COC1=CC=CC=C1NC(=O)CSC2=NC=NN2 1 1.293 4 2 0 -15.9011296587908 2254367 CC1=CC2=C(C=C1)N=C(N2)S(=O)(=O)O 1 1.706 2 3 0 -1.7201641817478 2254353 C=CCNS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O 1 1.966 2 4 0 -13.1455639652797 2254266 CN\1C2=C(C=CC(=C2)OC)S/C1=C\3/C(=O)N(C(=NCC4=CC=CC=C4)S3)CC=C 1 5.257 3 2 -6.06824612393624 2254251 C1=CC=C(C(=C1)NC2=NC(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/S2)Cl 1 4.073 2 3 -4.94343140058916 2254239 C1COCCN1C(=O)/C(=C\C2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 2.093 2 3 -19.1984204527919 2254184 COC1=CC=CC=C1OCCSC2=NC(=O)C3=CC=CC=C3N2 1 3.646 2 3 -12.0227123284087 2254178 C=CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=C3Cl 1 4.039 2 3 -9.59235180593926 2253990 COC1=CC=C(C=C1)OCCSC2=NC=NC3=C2NC=N3 1 2.459 4 2 -3.61723723295624 2253984 COC1=CC=C(C=C1)/C=C(/C(=O)NN=CC2=CC=NC=C2)\NC(=O)C3=CC=CC=C3 1 2.473 4 3 0 -17.2169959950104 2253967 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NCCOC 1 3.67 2 4 -18.483595471495 2253956 CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=CS2)C3=CC=C(C=C3)C 1 4 3 4 0 -15.1162054598823 2253785 C1/C(=C\C2=CN=CC=C2)/C(=O)/C(=C\C3=CN=CC=C3)/CN1CC4=CC=CC=C4 1 3.19 3 1 1.83460315808882 2253722 C1=CC=C(C=C1)/C=C/C=NNC2=NC3=CC=CC=C3S2 1 3.797 3 0 8.93045477267308 2253428 CC1=C(N(C2=C1C3=NON=C3C=C2)O)C 1 6.2e-002 3 2 0 5.31673899451883 2253404 CC(C)(C)NC(=O)CN1C(=O)/C(=C/C2=CC=CC=C2)/SC1=S 1 3.038 2 2 -14.5549672877419 2253328 CCCCNC1=C2C=C(C(=CC2=CC(=C1)NC(=O)C)OC)OC 1 2.963 2 3 -9.98921702669633 2253324 C1=CC=C(C=C1)/C=C(/C(=O)NN=CC2=CC=CS2)\NC(=O)C3=CC=CC=C3 1 3.593 3 2 -18.5250389402089 2253319 CC1=CC=C(C=C1)C2=NC(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/S2 1 4.098 1 3 3.13917305346518 2253313 CC1=CC=C(C=C1)C2=NC(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/S2 1 4.308 1 4 -2.00235471166882 2253267 COC1=C(C=C(C=C1)CC(=O)NCC2=CC=CC=C2)OC 1 2.623 1 3 -13.959678287773 2253255 CC1=CC=C(C=C1)C2=NC(=O)/C(=C/C3=CC(=C(C(=C3)OC)O)OC)/S2 1 4.082 1 4 1.15586719893479 2253161 C1=CC=C(C=C1)/C=C(/C(=O)NN=CC2=CC=NC=C2)\NC(=O)C3=CC=CC=C3 1 2.489 4 2 -17.2690050649989 2253148 CCCC(=O)NC1=NC(=CS1)CC(=O)OCC 1 1.738 2 3 0 -15.4949968145564 2253142 CC1=CC=C(C=C1)C2=NC(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl)/S2 1 6.226 1 2 5.88493665799624 2253073 C1=CC=C(C=C1)OCCNC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.564 2 4 -11.5067357656703 2253041 CCOC(=S)NC(=NS(=O)(=O)C)C1=CC=CC=C1 1 2.548 2 3 -8.637603730704 2252951 CCOC1=CC=C(C=C1)N/C=C/C(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.326 1 5 -5.10278298484117 2252939 C1=CC=C(C=C1)C(=O)/C=C/NC2=CC(=C(C=C2)F)Cl 1 3.913 1 1 1.42044620721554 2252938 COC1=CC=CC(=C1)NC(=S)NCC2=CC=CO2 1 3.261 2 2 -9.21512315613611 2252925 COC1=CC=CC(=C1)NC(=S)NCCCN2CCOCC2 1 2.384 3 2 -10.6852150763179 2252839 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C/C3=C(N(C(=C3)C)C)C)/SC2=O 1 2.861 3 3 -6.08346106762091 2252810 C1=CC=C(C=C1)C(=O)/C=C/NC2=C(C=C(C=C2)F)Br 1 3.997 1 1 1.00560195144361 2252798 C1=CSC(=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=NC=CS4)N 1 3.909 4 1 -3.76625175078657 2252787 CC(=O)NC1=CC=C(C=C1)N/C=C/C(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.114 2 5 0 -7.66300725997309 2252784 CC(C)CNC(=S)NC(=O)C1=CC=C(C=C1)F 1 3.309 2 1 -9.39672110096854 2252747 CC(C)NC(=O)C(=O)NN=CC1=CC=CO1 1 0.494 3 3 0 -12.3078411035954 2252719 CC1=C(C=C(C=C1)OCCNC(=O)C2=CC=CC=C2OC)C 1 3.626 1 3 -8.87556513873515 2252654 CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CO3)/SC2=S 1 4.505 1 2 -3.41051218693557 2252653 CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CO3)/SC2=S 1 4.505 1 2 -3.41051218693557 2252642 COC(=O)C1=CC=CC=C1OC(=O)C2=CC=[N+](C=C2)[O-] 1 1.122 1 5 0 -10.7222733253539 2252488 CCC(=O)NC(C(Cl)Cl)NC(=O)CC 1 1.208 2 2 0 -5.7874009612561 2252487 CN(C)C(=O)C(=C(Cl)Cl)NC(=O)C1=CC=CC=C1 1 1.507 2 2 0 -6.12025719520449 2252461 CCC1=NC(=C2C3=C(CCCC3)SC2=N1)N4C(=O)C5=CC=CC=C5C(=O)N4 1 3.651 4 2 -7.89368710935303 2252451 CCOP(=O)(C1=C(OC(=N1)C2=CC=C(C=C2)C)N3CCOCC3)OCC 1 2.591 2 5 0 1.05036930567912 2252415 CCNC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 1 1.939 2 3 0 -18.6405865225714 2252413 CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C(=NC3=CC=CC=C32)C 1 4.275 2 3 -2.60170376424424 2252291 CC(C)CNC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.669 3 5 0 -21.9147057731329 2252317 CC(C)(C)NC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 1 2.521 2 3 -20.9754514349559 2252316 CCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC(=N2)OC)OC 1 3.261 4 5 0 -22.7486007602087 2252253 C1=CC(=CC=C1C2=C(C(=C(C(=C2F)F)F)F)C(=O)O)Cl 1 4.464 0 2 3.37801407869014 2252177 CCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)Cl 1 3.647 2 1 7.01580838659191 2252022 CCC1=CC=CC=C1OCCCOC2=CC=C(C=C2)OC 1 4.434 0 3 -0.108557829869292 2251980 C1=CC(=CC(=C1)OC(=O)C2=CC=CO2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O 1 3.356 1 6 0 -14.250773115485 2251897 CC(C)C1=CC=CC=C1OCCCOC2=CC=CC(=C2)OC 1 4.686 0 3 0.262438201223388 2251890 COC1=CC=CC=C1OCCCCOC2=CC=CC=C2F 1 4.277 0 3 -1.449078298439 2251864 CCN1C(=O)/C(=C\C2=CC(=CC=C2)OC(=O)C3=CC=CO3)/SC1=S 1 4.223 1 4 -10.7040436201556 2251836 CN1C(=O)/C(=C\C2=CC=C(C=C2)OC(=O)C3=CC=CO3)/SC1=S 1 3.874 1 4 -9.23645134756787 2251835 CN1C(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=CO3)/SC1=S 1 3.874 1 4 -9.23645134756787 2251741 COC1=CC=C(C=C1)OCCCCOC2=CC=CC=C2Cl 1 4.736 0 3 1.56890676800916 2251704 COC(=O)C1=CC=C(S1)S(=O)(=O)C2=CC=C(S2)C(=O)OC 1 2.799 0 6 -7.73200873371431 2251647 C1=CC=C(C=C1)C2=C/C(=C/C3=CC=CS3)/C(=O)O2 1 3.503 0 2 -1.73318660878993 2251640 CC1=CC(=NC(=N1)NN2C(=O)/C(=C/C3=CC=CC=C3OC)/SC2=S)C 1 3.3 4 2 -4.7931202898463 2251614 CCCCN(CCCC)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 6.179 1 1 -5.17728306383761 2251566 CC1=CC(=CC=C1)OCCCCCNCCO 1 2.461 1 2 3.20790616536976 2251550 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=C(NN(C4=O)C5=CC=CC=C5)C 1 3.268 5 4 0 -7.98520945658293 2251545 CC1=C(C=C(C=C1)[N+](=O)[O-])N/C=C/C(=O)C2=CC=CO2 1 2.818 2 4 -1.14340730030959 2251417 COC1=C(C=C(C=C1)CCNC=C2C(=O)CCCC2=O)OC 1 1.583 1 4 0 -12.9658143306505 2251357 CCCCOC(=O)NC1=NN=C(S1)CCC2=CC=CC=C2 1 3.812 3 2 -12.1006778473091 2251346 C1=CC=C2C(=C1)C=CC=C2NCCC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.24 3 4 0 -2.99841437136032 2251344 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=C3Cl)Cl 1 5.461 1 1 0.752751794703597 2251340 CC1=CC=C(C=C1)CSCCNC(=O)/C=C/C2=CC=CC=C2Cl 1 4.853 1 1 -6.29546661965037 2251334 COCCCNC(=O)/C=C/C1=CC=C(C=C1)Cl 1 2.101 1 2 -8.42669637828237 2251318 CCOC1=CC=C(C=C1)C=NNC(=O)C(=O)NCC2=CC=CO2 1 1.47 3 4 0 -12.3045702767405 2251310 COC1=CC=C(C=C1)N(CC(=O)NN=CC2=C(C=CC(=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.179 3 6 0 -14.6264457383885 2251286 COC(=O)/C(=C/C1=CNC2=CC=CC=C21)/[N+](=O)[O-] 1 2.188 2 4 1.07467106644793 2251273 C1=CC=C2C(=C1)C=CC=C2CC(=O)NN=C/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 3.881 3 3 -2.03639233038108 2251261 C1=CC2=C(C=C1Cl)NC(=N2)NCCO 1 1.348 3 1 0 5.17212950807798 2251208 CN(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl)C(=O)OC 1 4.745 3 4 0 -11.6444006342311 2251180 CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)/C(=O)N2)C 1 2.887 3 6 0 -6.32965336196279 2251173 CC(C)(C)C1=CSC(=N1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 4.468 2 1 -6.08267267408137 2251149 CC(C)NC(=O)CC(=O)NN=CC1=CC=C(C=C1)F 1 1.339 3 2 0 -12.1729068205893 2251121 CN(C)C1=CC=C(C=C1)C=NNC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3 1 3.374 4 4 0 -15.9772309473843 2251114 CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-])Br 1 3.743 2 3 -7.75222045679273 2251062 COC1=CC(=C(C=C1)OC)C=NNC(=O)C(=O)NN=CC2=C(C=CC(=C2)OC)OC 1 1.952 4 6 0 -5.0777295368008 2251058 CC(C)(C)C1=CC=CC=C1OCCCCCNCCO 1 3.376 1 2 2.9921490320924 2251007 CC(C)CNC(=O)C(=O)NCC1=CC=CC=N1 1 0.567 3 2 0 -11.8780105878556 2251001 C1=CC2=C(C=C1Cl)N=C(O2)/C(=C/NC3=NC=C(C=C3)Cl)/C=O 1 2.946 3 2 5.41858013052175 2250970 COC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 2.607 3 5 0 -14.3433311184782 2250946 CCCCNCCCOC1=CC(=CC=C1)Cl 1 3.471 1 1 1.54298595776108 2250943 CC1=CC=CC=C1OCCCCCNCCO 1 2.461 1 2 2.45448165965688 2250931 C1=CC=C(C=C1)/C=C/C(=O)OCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.591 2 4 -7.77159838980014 2250917 CC1=CC=C(C=C1)NCC(=O)NN=C/C(=C/C2=CC=CC=C2)/Br 1 3.642 3 1 -11.5704623865913 2250882 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C/C(=O)C3=CC=C(C=C3)Cl 1 2.522 3 2 -7.43469976843033 2250867 CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C(=C2F)F)F)F)C3=CC(=C(C=C3)F)F 1 4.557 1 3 -4.48676453709981 2250861 C1CC(CCC1NC(=O)C(C(F)F)(F)F)NC(=O)C(C(F)F)(F)F 1 1.897 2 2 0 -7.86217478535084 2250860 C1CN(CCN1C2=CC=CC=C2)C(=O)C(C(F)F)(F)F 1 2.294 2 1 -1.2214317363388 2250844 CC1=CC=C(C=C1)OCCNC(=O)C(=O)NCC2=CC=CO2 1 1.611 2 4 0 -11.6028270586591 2250796 CCNC(=O)CN(C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=CC=C2 1 2.418 2 3 -15.8106957681406 2250795 C1=CC=NC(=C1)CNCCC2=CC(=CC=C2)F 1 2.542 2 0 3.03960261255609 2250732 CCC1=CC=CC=C1OCCCCCNCCO 1 2.918 1 2 0.563529798299564 2250671 C1=CC=C(C=C1)/C=C/C=NNS(=O)(=O)C2=CC=CC=C2 1 2.746 2 2 2.30111762349669 2250659 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.705 2 4 -7.70162637056255 2250608 C1=CN=C(N=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.145 5 5 0 -8.81731512803102 2250588 CC1=C(C=CC(=C1)OCCCCCNCCO)Cl 1 3.126 1 2 3.08741016862173 2250542 COC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.179 3 6 0 -18.024479126401 2250503 CN\1C=CC=C/C1=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)OC 1 3.016 2 2 -7.17887956370871 2250497 COC1=CC=CC(=C1)NC(=S)NCC2=CC=CC=N2 1 3.143 3 1 -9.26639007504133 2250493 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CN=CC=C3 1 2.169 3 3 -23.1919189717024 2250487 CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4 1 4.267 4 6 0 -12.566655968039 2250481 CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.852 4 5 0 -17.5037329436143 2250467 COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3C(=O)OC 1 2.147 5 5 0 -28.5003098020261 2250430 CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N(CC)CC 1 3.661 1 4 -14.959219263014 2250429 COC1=CC=C(C=C1)C(=O)NCCSC2=CC=CC=C2 1 3.212 1 2 -6.92809585272814 2250420 C1=CC=C(C=C1)COC(=O)/C(=C/C2=CC=C(C=C2)Cl)/NC(=O)C3=CC=CC=C3Cl 1 5.554 1 3 -10.4668156532779 2250400 COC1=CC=C(C=C1)N=C(C2=NC3=CC=CC=C3C=C2)NN 1 2.775 4 1 0.828487770646157 2250357 CC(=O)N/C(=C/C1=CC=C(C=C1)[N+](=O)[O-])/C(=O)NC 1 0.225 3 4 0 -15.2534864524545 2250341 CCOC1=CC=CC=C1NC(=O)CCCC2=CC(=C(C=C2)OC)C 1 4.364 1 3 -8.8887627776691 2250255 C1=CC(=CC=C1OCCCCNCCO)F 1 1.724 1 2 0 2.88519051923258 2250232 C1=CC=C(C(=C1)OCCCCNCCO)F 1 1.724 1 2 0 2.18029456881216 2250218 C1CN(CCN1C2=CC=CC=C2)C(=O)C(C(F)(F)F)(F)F 1 2.788 2 1 -0.752340395215879 2250165 COC1=CC=C(C=C1)N(CC(=O)NN=CC2=C(C(=CC=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.179 3 6 0 -14.3406515365833 2250155 CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NCCC2=CC(=C(C=C2)OC)OC 1 4.737 2 3 -11.3665652829286 2250148 C1OC2=C(O1)C=C(C=C2)CCNCC3=CC=CC=C3Br 1 3.788 1 2 2.13121698354132 2250138 CC1=CC(=CC(=C1Cl)C)OCCCCCNCCO 1 3.612 1 2 3.40915911697294 2250107 CC1=C(OC(=C1C#N)N=CC2=CC=CC3=CC=CC=C32)C 1 4.073 2 1 4.71081098884388 2250023 CC(C)C1=C(C(=CC=C1)C(C)C)OCCCCCN2CCOCC2 1 5.126 1 2 9.85510937683121e-002 2250014 COC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 3.417 3 4 0 -13.1892251911218 2250010 CC1=CC=C(C=C1)CSCCNC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3 1 4.25 2 4 -19.2661564364186 2249966 CC1=CC(=CC(=C1)OCCCCCNCCO)C 1 2.948 1 2 1.79265611010908 2249931 C1=CC=C(C=C1)C2=NNC(=C2)C(C(C(C(F)F)(F)F)(F)F)(F)F 1 4.435 2 0 1.19783934434441 2249903 COC1=CC=CC(=C1)C=NNC(=O)C(=O)N2CCCC2 1 1.023 3 3 0 -9.45232042453145 2249855 CC1=CC(=C(C(=C1)C)OCCCCCNCCO)C 1 3.434 1 2 2.06652735642779 2249843 C=CCNC(=O)CC(=O)NN=CC1=CC(=CC=C1)Br 1 1.773 3 2 0 -9.98450893459034 2249842 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F 1 3.41 1 3 -7.95733463601619 2249782 COC1=C(C=CC(=C1)C=NNC(=O)C2=CN=CC=C2)OC(=O)C3=CC=CC=C3Cl 1 3.612 3 4 0 -12.4696102630761 2249740 CCOC(=O)C(=NNC(=O)C1=CC=CC=C1)C2=CC=CC=C2 1 3.013 2 3 -7.87432610997207 2249707 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCC(=O)C3=CC=CC=C3 1 3.979 0 5 -16.9602699454475 2249651 COC1=C(C(=C(C=C1)CNCC2=CC(=CC(=C2)OC)OC)OC)OC 1 2.869 1 5 -1.47816977128763 2249581 COC1=CC=C(C=C1)C=NNC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3 1 3.195 3 5 0 -14.7274211588046 2249574 CC(=C(C(=O)N1CCOCC1)NC(=O)C2=CC=CC=C2)C 1 1.302 2 3 0 -13.5978367315274 2249573 COC1=CC(=C(C=C1CNCC2=CC3=C(C=C2)OCO3)OC)OC 1 2.67 1 5 -1.66362576023803 2249537 COC1=CC(=C(C=C1)N(CC(=O)NN=CC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3)OC 1 2.045 4 5 0 -14.6947194398895 2249530 COC1=CC=C(C=C1)C(=O)/C=C/NC2=CC=CC=N2 1 2.415 2 2 1.81282725126924 2249526 C1COCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/NC(=O)C5=CC=CC=C5 1 4.061 4 3 0 -7.58156217151952 2249523 C1=CC(=C(C=C1N2C=C(C(=O)C3=C2C(=C(C(=C3F)F)F)F)C(=O)O)F)F 1 3.983 1 3 -3.27158929488514 2249520 COC1=CC=CC(=C1)C=NNC(=O)C(=O)NCC2=CN=CC=C2 1 0.789 4 3 0 -11.5484486701299 2249491 CC(=C)CNC(=S)NNC(=O)C1=CC=C(C=C1)Br 1 3.231 3 1 -10.1653959407687 2249485 CCCCN1C2=CC=CC=C2N=C1N=CC3=CC4=C(C=C3)OCO4 1 4.14 3 2 -2.46288622931944 2249465 COC1=CC=CC(=C1OC)C=NNC(=O)C(=O)NCC2=CN=CC=C2 1 0.773 4 4 0 -12.1031058106608 2249455 CC(C)(C)C(=O)NC1=CC(=CC(=C1)C(=O)NC2=CNC(=O)NC2=O)NC(=O)C(C)(C)C 1 0.81 5 5 0 -24.5402129144091 2249450 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCCOC(=O)C3=CN=CC=C3 1 2.006 3 3 -15.0474129165689 2249389 C1=CC=C2C(=C1)N=C(O2)/C(=C/NC3=CC=CC=N3)/C=O 1 2.09 3 2 3.40081712674357 2249382 CC(C)(C)C(=O)/C=C(/C1=CC=C(C=C1)OC)\N 1 2.361 1 2 -3.65666291684446 2249348 COC1=CC=CC=C1OCCCCCNCCO 1 1.959 1 3 0 -1.50598089320394 2249335 CC(C)CNC(=O)CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC=C2 1 2.758 2 4 -18.3610523135402 2249320 C1=CC=C(C=C1)/C(=C/P(=O)(O)O)/Cl 1 1.304 0 3 0 -1.70708149745884 2249247 CCCCNC(=O)OC1=CC=CC(=C1)N2CCCC2=O 1 2.504 2 3 -18.148478527027 2249234 C1=CC(=C(C=C1C(=O)NCCO)Cl)Cl 1 1.827 1 2 0 -5.70095571504955 2249229 CN(C)CCCOC(=O)C1=CC=CC=C1 1 1.886 1 2 0 -3.76646466064745 2249213 CCCCCCS(=O)CC1=CC=CC=C1 1 3.507 0 1 1.56320889549036 2249206 C1=CC=C(C=C1)OP(=O)(N)OCC(F)(F)F 1 1.752 1 3 0 -1.79853426514915 2249184 C1=CC=C(C=C1)OCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 5.015 0 2 -3.38239688248265 2249179 CN(C)CCCOC(=O)C1=CC=C(C=C1)Br 1 2.634 1 2 -2.60547814765272 2249120 CC1=CC=C(C=C1)S(=O)(=O)NCCN=CC2=CC=C(C=C2)N(C)C 1 3.057 3 2 -8.34008337285214 2249100 COC1=CC=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)NNC(=O)C3=CC=CC=C3OC 1 2.907 3 5 0 -15.2490205534604 2249073 CC(C)C1=CC=CC=C1OCCCCCNCCO 1 3.169 1 2 1.47624921189355 2249045 C=CCOC1=CC=CC(=C1)C=NNC(=O)C(=O)NCC2=CC=CO2 1 1.738 3 4 0 -17.1405927139259 2249035 C=CCNC(=O)CC(=O)NN=CC1=CC=CC=C1F 1 1.23 3 2 0 -11.1717244828242 2248956 CCCCNCCCCOC1=CC=CC=C1 1 3.387 1 1 -0.835584541114184 2248957 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC(=O)NN=CC4=CC=C(C=C4)F 1 3.226 3 5 0 -19.9712104348257 2248970 CN(C)C1=CC=C(C=C1)NC(=O)C(=O)NCCOC2=CC=CC=C2 1 2.098 3 3 -12.9672691163445 2249000 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC 1 4.797 4 7 0 -11.5976924348708 2248871 CC(C)(C)NCCCCOC1=CC=CC=C1OC 1 2.973 1 2 -6.0987657370105 2248850 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(=S)N3CCOCC3)OC 1 3.96 1 5 -16.8780041742951 2248802 CC(C)C1=C(C(=CC=C1)C(C)C)OCCCCN2CCCC2 1 5.444 1 1 2.90887593638484 2248756 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NCCC2=CC(=C(C=C2)OC)OC 1 4.235 2 4 -11.6107586431633 2248752 CCOC(=O)C1=CC=C(C=C1)N/C=C/C(=O)C2=CC=C(C=C2)OC 1 3.231 1 4 -3.61482897866448 2248750 COC1=C(C=CC(=C1)/C=C/2\C(=O)N=C(S2)N)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.329 4 7 0 -6.87651648346263 2248605 C1CC(=O)C(=CNCCC2=CC=CC=C2)C(=O)C1 1 1.616 1 2 0 -9.36954829791694 2248574 CC1=CC(=NC(=N1)NN2C(=O)/C(=C/C3=CC=C(C=C3)O)/SC2=S)C 1 3.074 4 2 -2.58042843858489 2248499 C1C/C(=C\NC2=CC3=C(C=C2)OCO3)/C(=O)C4=CC=CC=C41 1 3.372 1 3 -2.48140728933437 2248430 CCCCNCCCOC1=C(C(=CC=C1)Cl)Cl 1 4.136 1 1 1.9201851680543 2248404 CC(C)NC(=O)CC(=O)NN=CC1=CC=C(C=C1)Br 1 1.882 3 2 0 -12.5194449005692 2248403 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.003 3 5 0 -17.9962921389786 2248401 COC1=CC=C(C=C1)N(CC(=O)NN=CC2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.179 3 6 0 -13.6172746702808 2248362 C1=CC=C2C(=C1)C3=CC=CC=C3C2=NOC(=O)NC4=CC=CC=C4Cl 1 5.05 2 2 0.896691848382223 2248357 COC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4 1 2.98 3 6 0 -15.5793675936919 2248288 C=CCSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3 1 5.823 5 1 -27.4860587361189 2248274 C1CCN(C1)CCCCCOC2=CC=C(C=C2)F 1 3.717 1 1 4.04227235858807 2248250 C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)C3=CC=CC=C3Br 1 4.992 2 2 -1.57053489416676 2248225 COC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=C(C=C2)OC3CSC3)S(=O)(=O)C4=CC=CC=C4 1 3.657 3 5 0 -15.938362142545 2248209 C1=CC=C2C(=C1)N=C(O2)/C(=C/NC3=NC=C(C=C3)Cl)/C=O 1 2.282 3 2 4.91304227486833 2248195 CC1=NN=C(S1)NC(=O)CN2C(=O)/C(=C\C3=CC(=CC=C3)OC)/SC2=S 1 2.401 4 3 0 -15.9690683137882 2248191 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)/C(=C/C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)/S2 1 3.701 3 7 0 -11.2509144252695 2248153 CCCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.76 3 6 0 -7.68131923283296 2248130 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 2.959 2 5 0 -11.4502981707756 2248129 CCCCC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 3.419 3 1 -14.5476338217267 2248099 CCOC(=O)C1=CC=C(C=C1)N/C=C/C(=O)C2=CC=CO2 1 2.642 1 4 -3.67643690117433 2248084 CC1=CC(=CC(=C1OCCCCN2CCOCC2)C)Cl 1 3.919 1 2 3.15005182550915 2248074 COC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3 1 3.165 3 4 0 -15.3433861739352 2248058 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C/C(=O)C3=CC=CS3 1 1.811 3 2 0 -13.9629543098377 2248043 C1=CC(=CC=C1F)S(=O)(=O)NCCCC(=O)O 1 0.997 1 4 0 -12.5963825234508 2248039 CCCOC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCCCC3 1 2.711 5 3 0 -25.6402663693229 2248018 CCCCNC(=S)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 3.134 3 3 -14.8191524098197 2247975 CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C=C/C2=CC=CC=C2)/C(=O)O 1 4.196 1 4 -8.88367833996025 2247967 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)OCC=C)C 1 3.586 0 5 -12.736468299511 2247961 CC(C)CNC(=S)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 2.997 3 3 -12.202995913791 2247934 CCOC1=CC=C(C=C1)N=C(C2=NC3=CC=CC=C3C=C2)NN 1 3.124 4 1 6.22646189381335e-002 2247907 C=CCOC(=O)CN1C(=O)C2=CC=CC=C2C1=O 1 1.186 1 4 0 -10.217477463199 2247869 COCCCNC(=S)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 1.737 3 4 0 -16.1681908890431 2247865 CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=CN=CC=C3 1 4.075 2 1 -5.34464965442877 2247858 CC(=O)N/C(=C/C1=CC=C(C=C1)[N+](=O)[O-])/C(=O)NCC=C 1 0.841 3 4 0 -20.1965057561063 2247855 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)OCC=C)C 1 3.1 0 5 -14.8872637988961 2247799 CC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 3.11 3 4 0 -13.9303649093341 2247763 COC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3 1 3.195 3 5 0 -13.93871297734 2247750 CC1=CC=CC=C1NCC(=O)NN=C/C(=C/C2=CC=CC=C2)/Br 1 3.642 3 1 -11.6998803415635 2247732 COC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3 1 3.417 3 4 0 -12.7944822154958 2247700 C1OC2=C(O1)C=C(C=C2)CCNCC3=CC=C(C=C3)F 1 3.245 1 2 1.44720337833371 2247683 C1=CC=C(C=C1)COC2=CC=CC=C2C=NNC(=O)CSCC3=CC=CC=C3 1 4.65 2 2 -10.2783475085566 2247648 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 -1.601 4 6 0 -16.2949993998412 2247630 C1=CC=C2C(=C1)C=CC3=C2C(=CC(=N3)C4=CC=NC=C4)C5=CC=C(C=C5)[N+](=O)[O-] 1 5.133 3 2 1.64282481488696 2247598 C1=CC=C(C=C1)CN(CC(=O)NN=CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 3.13 4 5 0 -17.8901547242124 2247580 C1=CC=C2C(=C1)C(=O)C(=O)N2CC(=O)C3=CC=C(C=C3)Cl 1 2.796 1 3 2.18290481338685 2247570 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])O)/S2 1 3.492 3 6 0 -2.2037916410294 2247560 COC1=CC=C(C=C1)CNCCC2=C(C=C(C=C2)Cl)Cl 1 4.584 1 1 2.57663607136651 2247540 C1CCN(C1)CCCCCCOC2=CC=C(C=C2)F 1 4.173 1 1 4.04227235858807 2247538 C1=CC=C2C(=C1)C3=CC=CC=C3C2=NOC(=O)NC4=CC(=CC=C4)Cl 1 5.05 2 2 4.73166107747998 2247525 C(CCC1=NN=C(S1)N)CCC2=NN=C(S2)N 1 1.054 6 0 0 -1.99943774155897 2247523 CC1=CC=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C3=CC=CC=C3 1 1.963 2 4 0 -15.8126411163425 2247488 CC(=C)CNC(=S)NNC(=O)C1=CC=CO1 1 1.878 3 2 0 -10.6435798216402 2247463 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)C(C)C 1 5.317 5 3 0 -16.1918324110525 2247432 CC(C)NC(=O)CC(=O)NN=CC1=CC=C(C=C1)C(=O)OC 1 0.989 3 4 0 -15.9699606114266 2247360 CC(C)CNC(=O)CC(=O)NN=CC1=CC=C(C=C1)Br 1 2.348 3 2 -10.5116148801686 2247302 COC1=CC(=C(C=C1)OC)NC(=O)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 1.811 4 6 0 -10.519460871922 2247300 COC1=CC=CC=C1OCCCCNCCO 1 1.503 1 3 0 -1.44873077566757 2247223 COC1=CC=CC(=C1OC)C=NNC(=O)C(=O)NCC2=CC=CO2 1 1.105 3 5 0 -11.733703084794 2247216 CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])Cl)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.778 3 7 0 -6.24704429695229 2247187 CC1=CC=CC=C1C(=O)NN2C=NN=C2 1 0.719 4 1 0 -8.80144883781574 2247152 CC(C)(C)NCCCCOC1=CC=CC=C1F 1 3.195 1 1 -2.46974039253076 2247146 C1COCCN1C2=NC(=NC(=N2)NN=C/C=C/C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4 1 1.204 8 4 0 -0.880498509615647 2247137 CC1(CC(=O)C(=CNCCC2=CC=C(C=C2)O)C(=O)C1)C 1 1.832 1 3 0 -9.21332846011983 2247080 C1C/C(=C\[N+](=O)[O-])/N(C1)CC#N 1 0.189 3 2 0 -5.37614344976518 2247007 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=CC=C3 1 3.511 3 4 0 -3.59617368800214 2246974 C1=CC=C(C(=C1)C=NNC(=O)COCC(=O)NN=CC2=CC=CC=C2F)F 1 1.871 4 3 0 -4.46760711717614 2246962 COC(=O)C1=CC=C(C=C1)N/C=C/C(=O)C2=CC=CC=C2 1 2.898 1 3 -2.91371396173735 2246935 C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)NN=CC3=CC=C(C=C3)Br 1 4.292 3 2 -2.7211518308934 2246882 C1=CC=C(C=C1)C(=O)CN/C=C/C(=O)C2=CC=C(C=C2)Br 1 3.192 1 2 -1.54935420095866 2246871 C1=CC(=CC=C1C=NNC(=O)COCC(=O)NN=CC2=CC=C(C=C2)F)F 1 1.871 4 3 0 -5.03076308981446 2246839 CCCCC1(C(=O)N(C(=S)N1)NC2=CC=C(C=C2)C)CCCC 1 5.892 3 1 -1.28012651434096 2246801 CC1(CC(=O)C(=CNCCC2=CCCCC2)C(=O)C1)C 1 2.496 1 2 -14.6560887920108 2246779 C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.438 4 4 0 -5.52497666017356 2246764 COC1=CC(=C(C=C1)OC)/C=C\2/C(=O)NC(=O)N2 1 0.703 2 4 0 -8.94358120785905 2246736 CC1(CC(=O)C(=CNCCN2CCOCC2)C(=O)C1)C 1 -5.e-003 2 3 0 -14.3567968653113 2246734 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3)S(=O)(=O)NCCCO 1 0.127 2 4 0 -15.4195404495455 2246727 CCOC1=CC=C(C=C1)N/C=C/C(=O)C2=CC=CC=C2 1 3.375 1 2 -1.27454773595823 2246718 CC1=CC(=NC(=N1)N)OCC(C(C(C(F)F)(F)F)(F)F)(F)F 1 2.618 3 1 -5.39405392309642 2246703 CCC1(C(=O)N(C(=S)N1)NC2=CC=CC=C2)CC 1 3.581 3 1 -2.4137179495254 2246686 CCCCCCC1=NN=C(S1)NC(=O)C2=CC=CO2 1 3.236 3 2 -11.0879867328282 2246680 CC1(CC(=O)C(=CNCCC2=CC=CC=N2)C(=O)C1)C 1 1.065 2 2 0 -13.5799457183328 2246652 CN1C=C(C=CC1=O)C(=O)NN=C/C=C/C2=CC=CC=C2 1 1.055 3 2 0 -2.87749557187267 2246636 C1=COC(=C1)C(=O)NCC(=O)NN=CC2=CC=CS2 1 1.091 3 3 0 -13.603883338868 2246626 CC1=CC(=CC=C1)NC(=O)CCC(=O)NN=CC2=CN=CC=C2 1 1.354 4 2 0 -6.93712108463771 2246585 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.384 3 3 -9.7569300644515 2246553 C1=CC=C(C=C1)/C=C/C(=O)NCC(=O)NN=CC2=CC=CS2 1 2.164 3 2 -12.7839487015881 2246529 CC1=CC(=C(C=C1)C)OCCOCCN2CCOCC2 1 2.481 1 3 -1.33109848823458 2246484 CC1=CC(=C(C(=C1)OCCOCCN2CCOCC2)C)C 1 2.967 1 3 -1.17708792140896 2246474 CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)[N+](=O)[O-] 1 3.228 2 3 -5.03132588685747 2246462 C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O 1 2.764 3 5 0 -7.2058530719727 2246409 CCN(CC)CCOCCOC1=CC=C(C2=CC=CC=C21)Cl 1 4.091 1 2 0.352711334838418 2246289 CC1=CC(=NOS(=O)(=O)C2=CC=CC=C2)C=CC1=O 1 2.546 1 4 -1.68046013140868 2246281 C1=CC=C(C=C1)/C=C/C=NNC(=O)C2=CC=C(C=C2)Br 1 3.792 2 1 0.264942810729807 2246223 CCN(CC)CCOCCOC1=CC=CC=C1F 1 2.724 1 2 -1.43429972329559 2246186 CCN(CC)CCOCCOC1=CC(=C(C(=C1)C)Cl)C 1 4.155 1 2 -0.148185057598455 2246180 C1=CC=C(C=C1)OC2=CC(=C3C4=C(C5=CC=CC=C5C3=O)ON=C24)O 1 4.323 1 4 6.16746029512789 2246170 CC1(C2=C(C3=C(N1)C=CC(=C3)OC)C(=S)N(S2)C4=CC=C(C=C4)OC)C 1 4.938 2 2 -12.5238771941369 2246159 CCOC1=CC\2=C(C=C1)N/C2=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-] 1 3.293 2 3 -1.18993408492274 2246156 C1COC2=C(O1)C=CC(=C2)C(=O)NCC(=O)NN=CC3=CC=CO3 1 0.924 3 5 0 -16.432211443949 2246088 CC1=CC=CC=C1NC(=O)C2=CC=CO2 1 2.496 1 2 -5.71056419996195 2246068 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 7.543 0 2 -2.02762197669337 2246060 C1=CC=C(C(=C1)NCC2=CC=C(C=C2)O)O 1 2.738 1 2 5.41144490273881 2246004 C1=CC=C(C=C1)CNC(=O)CCS(=O)CCC(=O)NCC2=CC=CC=C2 1 1.466 2 3 0 -9.78779607258156 2246003 C1=CC=C(C=C1)CNC(=O)CCS(=O)NCC2=CC=CC=C2 1 2.041 2 2 -9.70160046224236 2245988 CCCC(=O)NCCSC 1 1.11 1 1 0 -16.7302442396344 2245987 CC(=O)NCCSC 1 -1.3e-002 1 1 0 -8.42891341454555 2245986 CC(=O)NCCSC(=O)C1=CC=C(C=C1)F 1 1.641 1 2 0 -5.69883010898444 2245910 CC1=CC=CC(=C1)C(=O)NNC(=O)/C=C/C(=O)O 1 0.936 2 4 0 -5.66338686272589 2245876 CC1=CC(=C(C(=C1)C)OCCOCCN2CCCC2)C 1 3.74 1 2 0.448158872713543 2245864 C1=CC=C(C=C1)OCC(=O)NCC(=O)NN=CC2=CC=CS2 1 1.531 3 3 0 -13.9904843215429 2245828 C1=CC=C(C=C1)/C=C/C=NNC(=O)CNC(=O)C2=CC=CC=C2F 1 2.308 3 2 -9.85618127421283 2245813 CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.852 4 5 0 -16.1678655545369 2245812 CC1=CC=C(C=C1)NC(=O)C(=O)NC2=CC=CC=N2 1 1.755 3 2 0 -3.94246313109478 2245809 COC1=CC=C(C=C1)NC(=S)NCC2=CC=CO2 1 3.261 2 2 -9.47443432429899 2245802 CC1(C(=O)/C(=C\N)/C2=C(O1)C=CC3=C2OC(=O)C=C3)C 1 1.096 1 4 0 -2.77537893902524 2245780 C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 1.267 3 6 0 -18.0834607067724 2245765 C1=CC=C(C(=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)NCCCC(=O)O)Br 1 3.458 2 4 -22.9129258987423 2245730 COCCNC(=O)C1=CC2=C(C(=CC=C2)CC=C)OC1=O 1 1.945 1 4 0 -18.935717160619 2245725 C1=CC=C(C=C1)C(=O)/C=C/NCC2=CC=C(C=C2)F 1 2.977 1 1 0.180315960354474 2245671 C1COCCN1C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3Br 1 2.531 3 5 0 -20.5569122978543 2245643 CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)O 1 3.623 2 6 0 -16.0254496428528 2245606 CCCOC1=CC=C(C=C1)N/C=C/C(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.85 1 5 -4.64779420082795 2245599 C1=CC=C(C=C1)C(=O)OCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.436 2 5 0 -12.726103871266 2245582 COC1=CC=C(C=C1)/C=C/C(=O)NCC(=O)NN=CC2=CC=CS2 1 2.147 3 3 -12.9275768671231 2245538 CC1=C(SC=C1)C=NN=CC2=C(C=CS2)C 1 4.374 2 0 0.477373158981967 2245522 C1=CC(=CC(=C1)Br)C(=O)NCC(=O)NN=CC2=CC=CS2 1 2.444 3 2 -13.3452505992746 2245517 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=CC=C(C=C2)Br 1 4.238 2 1 -5.8639317160067 2245505 COC(=O)/C(=C/NC1=CC=CC2=CC=CC=C21)/[N+](=O)[O-] 1 2.145 2 4 -1.27961367810814 2245494 C1=CC=C(C=C1)C(=O)NCC(=O)NN=CC2=CC=CS2 1 1.696 3 2 0 -14.5827684813068 2245449 C1=CC=C(C=C1)/C=C/C=NNC(=O)CNC(=O)C2=CC=CC=C2 1 2.103 3 2 -8.81440386482723 2245402 CCOC(=O)C1=C(N=C(S1)NC(=O)CCSC)C 1 1.455 2 3 0 -16.0346815289529 2245390 CC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(C(F)F)(F)F 1 1.765 1 4 0 -17.4099757071181 2245385 C1=CC=C(C=C1)CNC(=O)CCC(=O)OCC(C(F)F)(F)F 1 2.032 1 3 -19.6926843973512 2245367 CC1=CC=C(C=C1)S/C=C\C(=O)C2=CC=CC=C2 1 4.262 0 1 2.83062452215602 2245323 C1=CC=C(C=C1)CC(=O)NCC(=O)NN=CC2=CC=CS2 1 1.731 3 2 0 -14.6269520823238 2245253 C1COCCN1CCOCCOC2=CC=C(C=C2)Br 1 2.257 1 3 -1.89004088707806 2245249 CN(C)C1=CC=C(C=C1)C=NNC(=O)CNC(=O)C2=CC3=C(C=C2)OCCO3 1 1.691 4 4 0 -18.7486631471952 2245288 C1=COC(=C1)C=NNC(=O)CNC(=O)C2=CC=CS2 1 1.091 3 3 0 -14.1608449221728 2245287 C1=CC=C(C=C1)/C=C/C(=O)NCC(=O)NN=CC2=CC=CO2 1 1.606 3 3 0 -11.7838936461312 2245281 C1=CC=C2C(=C1)C3=CC=CC=C3C2=NNC(=O)COC4=C(C=C(C=C4)Cl)Cl 1 5.18 2 2 -4.60640543667423 2245201 C1=CC=C(C=C1)/C=C/C=NNC(=O)CNC(=O)C2=CC(=CC=C2)Cl 1 2.767 3 2 -5.35020561764975 2245213 CC1=CC(=CC=C1)OCC(=O)NCC(=O)NN=CC2=CC=CS2 1 2.018 3 3 -12.4104075204353 2245161 C=CCOC1=CC=CC=C1CNC2=CC(=CC=C2)F 1 4.028 1 1 -3.72610176430098 2245139 CC1=CC=CC=C1NCC2=CC=CC=C2OCC=C 1 4.308 1 1 -5.80884105890989 2245071 CC1=CC(=CC=C1)NCC2=CC=C(S2)[N+](=O)[O-] 1 3.467 2 2 5.481484517959 2245043 CCCCCCOC1=CC=C(C=C1)CN2CCN(CC2)CC 1 4.434 2 1 2.26391631290986 2245033 COC1=C(C2=CC=CC=C2C=C1)CN3CCN(CC3)CC4=CC=CC=C4 1 4.336 2 1 6.82875334842984 2244929 CCCCOC1=CC=C(C=C1)CN2CCCCC2 1 4.133 1 1 1.67582584026496 2244840 C/C(=C\C1=CC=CC=C1)/CN2CCN(CC2)C3=CC=CC=C3OC 1 4.43 2 1 0.217312248872156 2244782 C1=CC=C(C=C1)OCCOC(=O)NC2=CC(=CC=C2)Cl 1 3.89 1 3 -1.58656189679532 2244778 C1=CC=C(C=C1)NC(=O)OCCOC2=CC=C(C=C2)Br 1 3.974 1 3 -3.54111810789515 2244777 C1=CC=C(C=C1)NC(=O)OCCOC2=CC(=CC=C2)Br 1 3.974 1 3 -3.26104318200194 2244776 C1=CC=C(C=C1)NC(=O)OCCOC2=CC=CC=C2Br 1 3.974 1 3 -3.63780277754076 2244770 C1=CC=C(C=C1)C(=O)NN/C=C/C(=O)C2=CC=C(C=C2)Br 1 2.699 2 2 -0.947899717405483 2244748 CC1=CC=C(C=C1)C(=O)NNC(=O)/C=C\C(=O)O 1 0.936 2 4 0 -5.84123773698388 2244742 COC1=CC=CC=C1C(=O)ON=C2C3=CC=CC=C3C4=CC=CC=C42 1 4.46 1 3 1.76245290988479 2244730 C1=CC=C2C(=C1)C3=CC=CC=C3C2=NNC(=O)C4=CC(=CC=C4)Br 1 4.765 2 1 -5.98518334210036 2244713 C1=CC=C(C=C1)C(=O)/C=C/NNC(=O)C2=CC=CC=C2O 1 1.708 2 3 0 0.920147243022638 2244708 C1=CC=C(C=C1)C(=O)/C=C/NNC(=O)C2=CC=C(C=C2)Br 1 2.699 2 2 -0.947899717405483 2244707 C1=CC=C(C=C1)C(=O)/C=C/NNC(=O)C2=CC=C(C=C2)Cl 1 2.615 2 2 0.508760027695955 2244706 CC1=CC=CC(=C1)C(=O)NN/C=C/C(=O)C2=CC=CC=C2 1 2.436 2 2 -0.788031108559994 2244705 C1=CC=C(C=C1)C(=O)/C=C/NNC(=O)C2=CC=CC=C2 1 1.95 2 2 0 -1.95716678585079 2244702 C1=CC=C(C=C1)C(=O)/C=C/NNC(=O)C2=CC(=CC=C2)Br 1 2.699 2 2 -0.524011668295214 2244698 CC1=CC=C(C=C1)C(=O)/C=C/NNC(=O)C2=CC=CC=C2 1 2.436 2 2 -1.31323866289086 2244664 C1C(=O)N=C(S1)NN=CC2=CC=CS2 1 1.904 3 1 0 -8.65481790527926 2244662 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCOC2=CC=CC=C2 1 4.07 1 2 -4.38029155858377 2244658 CCCC1=CC=C(C=C1)OCCNC(=O)C2=CC=CO2 1 3.464 1 3 -5.13134333126443 2244635 C1=CN=C(N=C1)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 3.09 3 2 -7.07037078092092 2244633 CC(C)(CO)NC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl 1 2.814 1 3 -8.39352464212083 2244594 C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CC=C4F)F 1 4.476 2 2 1.80247386628208 2244588 CC1=CC=C(C=C1)NP(=O)(OC2=CC=CC=C2F)OC3=CC=CC=C3F 1 5.187 1 3 1.02785162458833 2244554 COC1=C(C(=C(C=C1)C2=NN=C(O2)C3=CC(=C(C=C3OC)OC)OC)OC)OC 1 2.955 2 7 0 -5.65687326729302 2244546 CC1=CC=C(C=C1)N2C(=O)CC(=O)NC2=O 1 1.221 2 3 0 -6.6553978456115 2244521 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=NON=C3N)[N+](=O)[O-] 1 0.371 6 6 0 -16.0223496294083 2244512 CC(C)CNC(=O)C(=O)NN=CC1=CC=CS1 1 1.518 3 2 0 -11.2034062470459 2244510 C1CCC2=C(C1)C(=C(S2)N=C/C=C/C3=CC=CC=C3)C#N 1 4.835 2 0 2.35033384244631e-002 2244463 C1=CC=C2C(=C1)N=C(S2)NN=C/C=C/C3=CC=C(C=C3)Br 1 4.545 3 0 9.63615053225521 2244455 CC(C)(C)NC(=O)C(=O)NN=CC1=CC=C(C=C1)Br 1 2.052 3 2 -10.6337806999601 2244446 C1CCN(C1)C(=O)C(=O)NN=CC2=CC=CS2 1 0.993 3 2 0 -10.8409393535048 2244443 CC(C)(C)NC(=O)C(=O)NN=CC1=CC=C(C=C1)F 1 1.509 3 2 0 -10.2872426199802 2244428 CCN(CC)C(=O)C(=O)NN=CC1=C(C=C(C=C1)Cl)Cl 1 2.605 3 2 -4.60868048770379 2244420 CCN(CC)C(=O)C(=O)NN=CC1=CC=C(C=C1)F 1 1.482 3 2 0 -7.88286591210924 2244404 C1=CC(=CC=C1CNC(=O)C(=O)NN=CC2=CC=C(C=C2)Br)Cl 1 3.369 3 2 -6.78455660527357 2244402 CCN(CC)C(=O)C(=O)NN=CC1=CC(=CC=C1)Br 1 2.025 3 2 -6.13249439123702 2244352 C=CCNC(=O)C(=O)NN=CC1=CC(=CC=C1)Br 1 1.738 3 2 0 -10.5486294843708 2244370 COC1=CC(=C(C=C1)OC)C=NNC(=O)C(=O)N2CCCC2 1 1.007 3 4 0 -10.0057325343047 2244369 CCN(CC)C(=O)C(=O)NN=CC1=CC=C(C=C1)C(=O)O 1 0.906 3 4 0 -10.5600706543146 2244313 C1CCN(C1)C(=O)C(=O)NN=CC2=CC=CC3=CC=CC=C32 1 1.948 3 2 0 -6.61854556693499 2244311 CCN(CC)C(=O)C(=O)NN=CC1=CC=CS1 1 1.229 3 2 0 -9.93963266839788 2244303 CCN(CC)C(=O)C(=O)NN=CC1=CC=C(C=C1)Br 1 2.025 3 2 -8.22940399208911 2244214 CN(C)C1=CC=C(C=C1)/C=C/C=NNC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.472 8 2 0 -1.03593703795735 2244181 CCC(=O)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC)OC 1 3.642 0 5 -11.1002386085385 2244178 C1CCC(CC1)N(CC(=O)NCCCO)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.052 2 4 -11.6091216333181 2244116 C1=CC=C(C=C1)C(=O)/C=C/NC2=C(C=C(C=C2)Br)F 1 3.997 1 1 2.51290794118641 2244109 C1COCCN1CCCNC(=S)NC2=CC(=CC=C2)F 1 2.606 3 1 -8.83794859623096 2244102 C1=CC=C(C=C1)N/C=C/C(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.372 1 1 2.78996675130038 2244101 CCCNC(=S)NC1=CC=C(C=C1)Br 1 4.133 2 0 -9.46513946469028 2244098 COC1=CC=CC=C1NC(=S)NCCC2=CNC3=CC=CC=C32 1 4.694 3 1 -13.6003982801351 2244067 CC1=CC(=C2C(=O)NC(=O)NC2=O)C=C(N1C(C)C)C(F)(F)F 1 1.416 3 3 0 -8.85002957772799 2244055 C1COCCN1CCCNC(=S)NC2=CC=C(C=C2)Cl 1 3.065 3 1 -8.80695557127459 2244013 CC1=CC=C(C=C1)S(=O)(=O)CC#CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.831 1 6 0 -10.4940279951028 2243980 CCOC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3F 1 2.974 3 7 0 -9.22820914897011 2243953 COCCCNC(=S)NC(=O)C1=CC=CC=C1 1 1.843 2 2 0 -14.8694406691952 2243952 C1COCCN1CCCNC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 3.729 3 1 -9.00886556864799 2243914 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(C=C2)F)NC(=O)C3=CC=CC=C3Br 1 4.422 3 2 -7.25920088211196 2243878 C1COCCN1C2=CC=C(C=C2)C=C3C(=O)NC(=O)NC3=O 1 0.714 3 4 0 -7.31769015099152 2243838 CC1=CC=CC=C1C2=N/C(=C/C3=CC=CS3)/C(=O)O2 1 3.752 1 2 -7.5225756766203 2243702 CC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NN=CC3=CC=C(C=C3)OCC=C 1 3.399 4 2 -9.21153802622018 2243676 CC1=NN(C(=C1C(=O)NC2=CC(=CC=C2)OC)Cl)C3=CC=CC=C3 1 3.566 3 2 -5.2069717679186 2243648 CSC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)Cl 1 3.729 2 1 -7.11401030303813 2243647 C1CCC(CC1)N(CC2=NC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.972 3 3 -2.30304002463745 2243596 CC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 2.983 3 1 -4.91337522144883 2243584 C1CC(=O)N(C1=O)N(CC2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3Cl 1 3.449 2 3 -5.15909689531786 2243581 CC1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl 1 2.645 2 3 -11.3345352143883 2243562 CC1=CC=C(C=C1)NC(=O)NCC2=CC=C(C=C2)OC 1 2.999 2 2 -4.90601362978119 2243546 CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Cl 1 3.094 6 3 0 -16.8555734095877 2243544 CNC(=S)NC1=CC=C(C=C1)C(=O)N 1 1.514 3 1 0 -12.0493940458932 2243534 CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC 1 3.056 4 3 0 -17.2032784274197 2243529 C1=CC2=C3C(=C1)C(=O)N(C3=CC=C2)C(=O)C4=CC=CS4 1 3.3 1 2 -5.20213883192006 2243516 CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.005 5 3 0 -9.73918563210028 2243514 CCN(CC)C1=NC(=NC(=N1)N2CCOCC2)OC3=CC=C(C=C3)C(=O)OC 1 2.394 5 4 0 -6.93267243252728 2243497 CC1=C(C(=O)N(C(=O)N1C)C)N=CN2CCOCC2 1 -1.187 4 3 0 -11.9525742223943 2243457 CCN1CCN(CC1)C(=O)CC2=COC3=CC(=CC(=C32)C)C 1 2.86 2 2 -6.90251591882859 2243437 C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCOCC3 1 -1.379 4 5 0 -14.1810303733049 2243436 CC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCCCC3 1 3.821 2 1 3.87123290098489e-002 2243433 CCOC1=CC(=C(C=C1C)C)S(=O)(=O)NCC2=CC=NC=C2 1 2.478 2 3 -3.27885781177137 2243429 CC1=CC=C(C=C1)NC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.784 2 3 -6.18830135786216 2243423 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC(=O)NC2CCCC2)C3=CC=C(C=C3)F 1 3.66 2 4 -14.510392744035 2243417 C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=CC=C3)C(=O)C4=CC=CS4 1 4.099 5 1 -6.89239597724766 2243399 C=CCNC1=NC(=NC2=CC=CC=C21)N3CCCC3 1 2.404 4 0 0.864711575002974 2243389 CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F)Cl 1 3.409 4 2 -7.90525839147904 2243388 CC1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC=CC=C2 1 2.265 3 2 -6.09219849846892 2243369 CCN(CC(=O)NC)S(=O)(=O)C1=CC=C(C=C1)Br 1 1.104 2 3 0 -15.5523059638742 2243363 CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)N2CCCCCC2 1 1.909 2 4 0 -6.27727180673643 2243348 CC1=CC=C(C=C1)NC(=O)NC2=CC3=CC=CC=C3N=C2 1 3.195 3 1 0.62430166326244 2243317 C1=CC=C(C=C1)C2=CSC(=N2)SCC#N 1 3.046 2 0 -5.18347714510318 2243314 CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=CC=C4)CC=C 1 5.282 2 2 -17.2293470848799 2243296 C1CC2=CC=CC=C2N(C1)CC3=NN=C(O3)C4=CC=CC=C4 1 3.598 3 1 -9.02980962587201 2243291 CC1=CC(=NC2=NC(=NN12)C(=O)NC3=CC=CC=C3C(=O)OC)C 1 1.547 5 3 0 -16.8922738296711 2243289 CCSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC=C)Cl 1 3.514 5 1 -18.6247374419974 2243275 CC1=CC=CC(=C1)C2=NOC(=N2)C3=CC=CC=C3OC 1 3.615 2 2 8.82509344255234 2243269 CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(=O)OC(C)(C)C)Br 1 4.473 3 3 -13.4622783353435 2243268 C1CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 3.154 2 2 -8.97855572182225 2243267 C1CCC2=C(C1)C3=C(S2)N(C(=O)N4C3=NC=N4)CC5=CC=C(C=C5)Cl 1 4.871 4 1 -5.87446041354804 2243258 C1=CC=C(C(=C1)F)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=N3 1 2.379 3 3 -13.3815386211429 2243254 COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3F)OC 1 3.603 2 5 0 -14.834373312213 2243245 CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)CCCN3C(=CC(=N3)[N+](=O)[O-])C 1 2.984 6 3 0 -21.3229653780157 2243238 COC1=C(C=C(C=C1)CCNC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)F)Cl)OC 1 2.542 2 5 0 -16.9014934960655 2243237 C1=CC=C(C=C1)CCNC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)F)Cl 1 2.575 2 3 -13.1653895591103 2243234 CC1=CC=C(C=C1)C2=NC(=NS2)NC(=O)CSC3=NC=NN3 1 2.57 6 1 0 -7.26218084618937 2243233 C=CCNC(=O)C1=NN2C(=CC(=NC2=C1)C3CC3)C(F)F 1 2.278 4 1 -18.6192289770987 2243231 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)NCC2=CC=CC=C2 1 2.261 2 3 -14.4293891220046 2243202 C1OC2=C(O1)C=C(C=C2)CSC3=NN=C4N3C(=CS4)C5=CC=CC=C5 1 4.718 3 2 -7.45516668725536 2243196 C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C4N3C=CC=C4 1 2.73 3 3 -13.8646575517356 2243194 CCOC1=C(C=C(C=C1)C(=O)C)CC(C(=O)OCC)C(=O)OCC 1 2.777 0 6 -8.66985585817148 2243191 C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=CC=C3)C(=O)C4=CC=CO4 1 3.541 5 2 0 -4.87881813028061 2243182 CCOC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C 1 2.557 1 3 -8.08734413035293 2243178 CC1=C(C(=CC=C1)N2C(=CC(=O)NC2=S)N)C 1 3.042 3 1 -2.50197020432881 2243175 C1CN(CCC12OCCO2)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CC=C5)C6=CC=CC=C6 1 3.904 4 3 0 -10.0488564642145 2243102 CNCC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2 1 1.987 2 2 0 -7.19948877020573 2243106 C1=CC=C(C=C1)CSCCC2=NNC(=S)N2C3=CC=CC=C3 1 4.327 3 0 -9.07047703154568 2243148 CCCN(CC1CC1)C(=O)NC2=CC=CC=C2C 1 3.331 2 1 -8.36731537796642 2243127 CCC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)OC 1 2.161 5 2 0 -6.10719247313591 2243126 C=CCN1C2=C(C3=C(S2)CCCC3)C4=NC=NN4C1=O 1 3.24 4 1 -14.0581143169597 2243063 C1CCCN(CC1)C(=O)OC2=CC3=C(C=C2)C=CC(=C3)OC(=O)N4CCCCCC4 1 5.424 2 4 -2.68751864675662 2243054 CN(CC1=CC=CC=C1)C(=O)C2=NN3C=CC=NC3=C2Cl 1 2.193 4 1 -5.87520721071282 2243014 CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5)C 1 4.061 6 2 0 -14.600051944301 2242999 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)NCC2=CC=NC=C2 1 1.11 3 3 0 -14.138578668001 2242987 C1=CC(=CC=C1CCNC(=O)NC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N 1 2.884 3 3 -9.68224916715126 2242946 COC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=NC=C2)Br 1 1.906 2 3 0 -3.790534406334 2242832 CCN(C1=CC=CC(=C1)C)C(=O)C2=CC3=CC=CC=C3OC2=O 1 3.685 1 3 -10.9931212352875 2242822 CCOC1=C(C=C(C=C1)C)S(=O)(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 3.767 1 5 -8.44270444663909 2242819 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)C(=O)OC 1 2.22 2 5 0 -15.7559315752246 2242687 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 1.371 3 4 0 -16.2970435694469 2242680 COC1=C(C2=C(C=C1)C=C(C=C2)Br)CC(=O)N3CCC(CC3)C(=O)OC 1 3.246 1 4 -5.73271781499476 2242679 COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CS4)OC 1 4.228 2 4 -12.5443536704222 2242668 CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)CCCOC3=C(C=C(C=C3)Cl)Cl 1 4.983 4 2 -9.80855067950614 2242601 CCOC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=CC=C3C 1 3.963 2 2 5.75913298709741 2242565 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4[N+](=O)[O-] 1 3.724 3 6 0 -6.50780218659253 2242542 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 3.281 2 2 -9.72174515393796 2242473 CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)CSC3=NN=C(S3)C 1 1.959 4 3 0 -26.1853885029863 2242438 C1=CC(=CN=C1)CNC(=O)C2=NN3C=CC=NC3=C2Cl 1 0.837 5 1 0 -11.166648437158 2242400 CC1(CC2=C(C=C(C(=O)O2)NC(=O)C3=CC=CC=C3)C(=O)C1)C 1 1.837 1 4 0 -15.6363059764627 2242396 CCOC(=O)CC1=CC(=O)N2C(=N1)C(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4 1 2.497 3 3 -10.2282372511623 2242394 CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=CO3 1 2.119 4 3 0 -15.6984775057436 2242390 CCOC(=O)CNC(=O)CSC1=NC(=NC(=N1)N(C)C)N2CCOCC2 1 -6.2e-002 6 4 0 -19.7991385032225 2242388 C1CCC(CC1)NCC2=C(C=CC(=C2)Br)OCC(=O)NCCC3=CC=CC=C3 1 4.922 2 2 -6.34312423563195 2242362 CC1=CC=C(C=C1)NC(=O)NCCCN2CCOCC2 1 1.321 3 2 0 -8.81677508009247 2242353 COC1=C(C=C(C(=C1)CNC2CCCCC2)Br)OC3CCCC3 1 5.343 1 2 -1.17007881268171 2242340 COC1=CC=C(C=C1)C(=O)NC2=CN=C3C=CC=CN3C2=O 1 0.233 3 3 0 -12.1970810246356 2242336 C1COCCN1C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 0.607 2 4 0 -11.4364897720576 2242335 CC1=CC(=CC(=C1NC(=O)C2=C(C(=C(C(=C2F)F)OC)F)F)C)Br 1 5.141 1 2 -3.06985109005494 2242318 CC1=C(C(=NN1CCCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C)[N+](=O)[O-] 1 2.25 5 4 0 -10.8137790669333 2242312 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CC=C2SC 1 3.537 2 3 -11.2433853840457 2242295 CCNC1=NC(=NC(=N1)SCC(=O)NC2=CC=CC=C2)OC 1 2.355 5 2 0 -13.6495483913054 2242150 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)CSC4=CC=C(C=C4)Cl 1 5.106 2 3 4.08234942998727 2242133 C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OCC(=O)NC4=CC=CC=C4 1 3.756 1 4 -4.57955333805044 2242072 CN(C1=CC=C(C=C1)C(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.363 3 4 0 -15.8421067970388 2242075 COC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2F 1 2.583 2 3 -7.64325002441993 2242078 CC1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2F)Br 1 3.963 2 1 -4.40995531440314 2242114 C1CN(CCC12OCCO2)S(=O)(=O)C3=CC=C(S3)Cl 1 1.257 1 4 0 -10.41008516873 2242113 CC1=CC=C(S1)S(=O)(=O)N2CCC3(CC2)OCCO3 1 0.943 1 4 0 -13.428294536099 2242112 C1CN(CCC12OCCO2)S(=O)(=O)C3=CC(=CC(=C3O)Cl)Cl 1 2.098 1 5 -9.67779071242393 2242109 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)OCCO3 1 0.132 2 5 0 -21.5986981879451 2242104 C1CN(CCC12OCCO2)S(=O)(=O)C3=CC=C(C=C3)Br 1 1.76 1 4 0 -16.1541695080756 2242102 C1CN(CCC12OCCO2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.676 1 4 0 -14.6975097629742 2242101 CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)OCCO3 1 1.498 1 4 0 -16.519508453561 2242098 C1CN(CCC12OCCO2)S(=O)(=O)C3=CC=C(S3)Br 1 1.366 1 4 0 -13.9080191216581 2242096 COC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)OCCO3 1 0.995 1 5 0 -16.9324746627051 2242090 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3F 1 2.879 3 3 -8.75475429266023 2242068 CC(C)CN(CC(C)C)C(=O)NC1=CC=CC=C1F 1 3.741 2 1 -6.76808331976112 2242064 COC1=CC=C(C=C1)C(=O)N2CCC3(CC2)OCCO3 1 1.292 1 4 0 -7.52898253972067 2242062 C1CN(CCC12OCCO2)C(=O)C3=CC=C(C=C3)Cl 1 1.973 1 3 0 -5.29401763998971 2241780 CCNC(=O)CN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC 1 2.243 2 4 -18.2007677441068 2241766 C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=NN=C(S4)N 1 3.08 6 2 0 -12.7411905143522 2241667 COC1=CC2=C(C=C1)C(=O)/C(=C/NC3=CC4=C(C=C3)OCO4)/CC2 1 3.355 1 4 -2.1579711289277 2241619 CCCP(=O)(CC(=O)N(CC)CC)C1=CC=CC=C1 1 2.66 1 2 -10.3033903281621 2241612 CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCC(CC3)C4=NOC5=C4C=C(C=C5)F 1 5.127 3 2 -3.58876095964159 2241608 CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC=NN2 1 3.329 3 1 -4.51686184680727 2241597 C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CSC3=NNC(=N3)N 1 3.264 4 2 -0.67243502564718 2241585 CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4 1 6.279 2 1 -9.07791245243959 2241575 C1=CC=C(C(=C1)OC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)C(=O)O)Cl 1 4.179 1 5 -2.88859427047608 2241562 C1=CC=C(C=C1)C2=NC(=NS2)NC(=O)C3=CC=CS3 1 3.342 3 1 -0.260929492412025 2241556 C1=CC=C(C=C1)C2=NC(=NS2)NC(=O)C3=CC=C(C=C3)F 1 3.594 3 1 1.17629138392309 2241521 C1CCC(C1)(C(=O)O)P(=O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl 1 5.682 0 3 -0.546159691104537 2241498 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.947 3 3 -4.06021881668982 2241494 CC1=CC(=C(C(=C1C)S(=O)(=O)NCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C)C 1 3.494 3 4 0 -17.7415989265636 2241479 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC(=C3)OC 1 3.076 2 5 0 -7.82239446395097 2241475 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3 1 3.593 2 3 -4.28469188165825 2241461 COC1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=NC=C3 1 1.935 3 4 0 -7.03253082728497 2241416 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3C=C2 1 3.812 2 2 -10.428339605599 2241315 COC1=CC=CC(=C1)NC(=O)CCSC2=NC3=CC=CC=C3C=C2 1 3.965 2 2 -5.47066775498525 2241313 CCOC1=CC=C(C=C1)NC(=O)CCSC2=NC3=CC=CC=C3C=C2 1 4.314 2 2 -6.49620207485615 2241259 CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCCC(=O)NC3=CC=C(C=C3)C)C#N 1 4.938 3 2 -22.0675220868454 2241257 CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCCC(=O)NC3=CC(=CC=C3)OC)C#N 1 4.436 3 3 -22.1237829013019 2241256 CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCCC(=O)NC3=CC=C(C=C3)OCC)C#N 1 4.785 3 3 -23.0284121444904 2241247 CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)NC3=NSC(=N3)C4=CC=CC=C4)C#N)C5=CC=CC=C5)C 1 5.554 5 2 0 -17.8413374766454 2241194 CCCOC1=CC=C(C=C1)CC(CC(=O)O)(C(=O)O)C(=O)O 1 2.008 0 7 0 -4.95522775142574 2241158 CC1=C(C(=CC=C1)NC(=O)CSC(=O)N)C 1 1.978 2 2 0 -5.41903783198255 2241140 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=C(C(=CC(=N2)C)C)C#N 1 3.666 3 3 -23.9789342378659 2241132 C1=CC=C2C(=C1)C(=NN3C2=NC4=CC=CC=C4C3=O)NCCO 1 1.424 4 2 0 -0.853484372909513 2241109 CC1=CC(=NO1)NC(=O)CSC2=NN=C3N2C=CC=C3 1 1.463 5 2 0 -24.5644566646961 2241090 C1=CC=C(C=C1)CCN2C(=O)/C(=C/C3=CN=CC=C3)/SC2=S 1 3.801 2 1 -6.75297567718719 2241021 C1CN(CCC12OCCO2)C(=O)C3=CC=C(C=C3)F 1 1.514 1 3 0 -6.40413930511128 2241020 C1=C(C=C(C(=C1F)NC(=O)C2=NN3C(=CC(=NC3=C2)C(F)F)C(F)F)Br)F 1 4.239 4 1 -6.90532510988487 2241010 CC1=CC=C(S1)S(=O)(=O)NCCN2CCOCC2 1 0.499 2 3 0 -7.07035265759844 2241008 C1CC(=O)N(C1)CCCNC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 3.778 4 1 -21.5748231613622 2241007 CC1=CC=C(S1)S(=O)(=O)NCC2=CC=CC=C2 1 2.256 1 2 -2.70904444044505 2241003 CC1=CC=C(S1)S(=O)(=O)NC2CC2 1 1.162 1 2 0 -6.05457012747153 2240997 C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.486 2 4 -20.0832097939812 2240996 CC1=CC=C(S1)S(=O)(=O)N2CCCC2 1 1.339 1 2 0 -9.57661214870874 2240991 C1COCCN1NS(=O)(=O)C2=CC=C(S2)Br 1 0.497 2 3 0 -5.91947214138461 2240978 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CS2 1 2.524 3 3 -14.6964609928395 2240921 CC1=CC=C(C=C1)N(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=C(C=CC(=C3)C)OC 1 4.01 3 6 0 -15.4897859179732 2240918 CN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)CC3=CC=C(C=C3)OC 1 3.118 4 3 0 -16.411977147854 2240902 CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)OC 1 2.88 2 3 -3.71782000817157 2240890 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN(CC3=CC=C(C=C3)Cl)S(=O)(=O)C 1 2.497 3 4 0 -5.24600814089698 2240865 CNC(=O)CN(C1CCCCC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 2.513 2 4 -14.8362115748111 2240843 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C(C)(C)C)C 1 3.443 5 3 0 -19.7458327037852 2240834 CCOC1=C(C=C(C(=C1)Br)C(=O)O)OC 1 2.524 0 4 -6.79576716717341 2240785 CC1=C(C(=CC=C1)C)NC(=S)NC(=O)CCC(=O)OC 1 3.145 2 3 -16.6602819194501 2240759 CCOC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=NC=C2)Cl 1 2.17 2 3 -5.61293142488819 2240742 CC1=C(N=CC=C1)NC(=S)NCCC2=CC=CC=C2 1 4.291 3 0 -6.51848441676641 2240664 CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2=CC=C(C=C2)F 1 3.03 2 2 -8.71444213736123 2240651 CCNC1=NC(=NC(=N1)N2CCOCC2)SCC3=CC=CC=C3 1 2.549 5 1 -8.2317717486819 2240648 CCOC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC(=C(C=C2)C)Br 1 5.789 2 3 -7.63530293836941 2240619 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC(=C(C=C2)OC)OC 1 2.754 1 5 -6.71331132185026 2240603 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CN=CC=C3 1 2.28 3 4 0 -12.8719762560279 2240591 CCCNCC1=CC(=C(C=C1Br)OCC(=O)N)OCC 1 2.158 2 3 -6.77756321543789 2240578 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NN4C=C(C=NC4=C3)Br 1 1.839 4 3 0 -10.4368880660828 2240480 CC1=CC=C(C=C1)OCCOCCOC2=C(C=C(C=C2)Br)C=NNC(=O)C3=CC=NC=C3 1 4.252 3 4 0 -3.19961349837414 2240402 CC1=CC=C(C=C1)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.854 3 3 -19.2335780543431 2240335 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=N3 1 3.981 3 3 -15.5384771269589 2240299 CC1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=CC=C3OC)/S2 1 3.561 2 2 -7.00206132829746 2240224 CC1CCN(CC1)C2=NC(=O)/C(=C/C3=CC(=CC=C3)O)/S2 1 3.335 2 2 -4.76538537727293 2240116 CS(=O)(=O)N(CC(=O)NC1=CC2=C(C=C1)OCO2)C3=CC4=C(C=C3)OCO4 1 1.119 2 7 0 -16.0220481616586 2240104 CC1=CC(=NC2=CC(=NN12)C(=O)NC3=CC(=C(C=C3OC)Cl)OC)C 1 2.513 4 3 0 -19.2023659412124 2240091 C1CN(CCN1C(=O)C2=CC(=CC=C2)F)C(=O)C3=NN4C=C(C=NC4=C3)Br 1 1.78 5 2 0 -5.26843805878728 2240074 CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N 1 4.314 2 3 -19.7037456429793 2240037 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)OC 1 2.528 2 6 0 -16.0364870752587 2240015 CN(C1=CC=C(C=C1)C(=O)NC2CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.205 2 4 -13.2804986523123 2239980 COC1=CC=CC=C1OCCCN2C3=CC=CC=C3OC2=O 1 3.224 1 4 -1.70058540676728 2239975 C1CN(CCN1CC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CC=CC=C3 1 3.528 3 1 -2.37971426511272 2239960 C1CC(=O)N(C(=O)C1)N(CC2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3Cl 1 3.905 2 3 -4.36443862551935 2239952 CC1=CC(=NC2=CC(=NN12)C(=O)NC3=C(N(N=C3C)CC4=CC=C(C=C4)F)C)C 1 2.748 6 1 0 -15.6787554474432 2239943 CCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=CO2)OC 1 2.677 1 4 -15.3309914178717 2239932 CC1=CC(=C(C=C1Br)C)S(=O)(=O)NCC2=CC=NC=C2 1 2.894 2 2 -1.34834186054067 2239914 CNC(=S)NCCCC1=CC=CC=C1 1 3.018 2 0 -10.9043987643908 2239912 COCCCN(CCCN)CC1=CC=CO1 1 0.25 2 2 0 -2.85539240322595 2239896 CCOC(=O)CNC(=O)CSC1=NC(=NC(=N1)N(C)C)NCC2=CC=CC=C2 1 1.628 6 3 0 -19.0463046349127 2239880 C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CN=CC=C2 1 1.852 4 1 0 -11.5484790581836 2239877 C1CC(CCC1C(=O)N2CCC3=CC=CC=C32)C(=O)N4CCC5=CC=CC=C54 1 3.977 2 2 -11.9969846946633 2239735 CC1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC(=O)O 1 2.828 3 3 -17.5252005286444 2239706 CC(C)(C)C(=O)N(CCN(C1=CC=CC=C1)C(=O)C(C)(C)C)C2=CC=CC=C2 1 5.223 2 2 -4.59679518512447 2239703 CCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)N2C=CC(=N2)C 1 3.926 2 3 -8.4361241600941 2239694 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC(=O)NC)C2=CC=C(C=C2)F 1 2.258 2 4 -12.8459883095553 2239692 CN(C)S(=O)(=O)N(CC(=O)NC1=CC(=CC=C1)F)C2=CC=CC=C2 1 1.379 3 3 0 -9.82592166476906 2239673 CCSC1=NC=C(C(=N1)C(=O)NC2=CC=CC=C2F)Cl 1 3.546 3 1 -8.51206189933649 2239640 CC1=NN2C(=O)C(=CN=C2S1)NC(=O)C3=CC=C(C=C3)F 1 1.194 4 2 0 -9.53208159537127 2239634 CC1=CC(=NN1CCCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)[N+](=O)[O-] 1 2.539 4 7 0 -28.120726882406 2239622 CCN(CC(=O)NCC1=CC=CC=N1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.668 3 3 0 -19.2086537234109 2239603 COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=CS3)C4=CN=CC=C4 1 3.112 5 2 0 -7.21967170029384 2239591 COCCNC(=S)C1=CC=C(C=C1)Br 1 2.749 1 1 -2.59239864987125 2239590 COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 1 3.461 5 3 0 -32.8458440378955 2239530 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=NC=C3 1 1.34 3 4 0 -23.1729218025437 2239526 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NCC2=CC=CO2 1 1.742 2 3 0 -14.653676887124 2239481 C1CCCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.292 2 3 -9.86819332228205 2239474 CC(C)(C)C(=O)NC(=S)N1CCC2=CC=CC=C21 1 4.076 2 1 -17.2756100919114 2239463 CC1=CC(=C(C=C1Br)S(=O)(=O)NCC2=CC=NC=C2)OC 1 2.392 2 3 -2.63251849644894 2239443 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NCCOC 1 3.181 2 2 -10.8620467767209 2239380 CCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NCCN3CCOCC3 1 2.332 2 4 -9.43794528379183 2239372 CC1=CC(=C(C=C1Cl)S(=O)(=O)NCCCN2CCOCC2)OC 1 1.764 2 4 0 -6.68314946000291 2239351 CN(C)C1=NC(=NC(=N1)OCCNC(=O)NC2=CC=C(C=C2)Cl)N(C)C 1 2.006 7 2 0 -7.8630684881117 2239331 CC1=C(N=CC=C1)NC(=S)NCCOC 1 2.256 3 1 -9.4139402895253 2239323 C1CC(=O)N(C1)CCCNC(=S)NC2=CC(=C(C=C2)F)Cl 1 3.098 3 1 -20.5296344249172 2239306 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Cl)C 1 2.021 6 4 0 -23.2556583678804 2239292 CCOC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)Br 1 3.405 1 3 -5.00574548285705 2239289 CCCCNC(=O)NS(=O)(=O)C1=CC=C(O1)C(=O)OC 1 1.224 2 6 0 -13.9807300804649 2239281 CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)CNC(=O)C3=CC=CO3 1 1.705 5 3 0 -18.0450304825036 2239280 CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=CC=C2C(=O)O)C)C 1 3.892 1 4 -5.35456206014206 2239242 CCOC(=O)CCN1C=NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-] 1 1.154 3 5 0 -8.23058681579185 2239106 CC1=NN(C(=C1)NC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3)C4=CC=CC=C4 1 5.666 5 2 0 -8.05886381615643 2239071 C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCCC3)SC=C2C4=CC=CS4 1 3.838 3 2 -25.5217244724487 2239035 CC(C)(C)C(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2 1 4.432 3 2 -16.981541932735 2239013 CC1=CC(=C(C=C1)OC(=O)C2=C(C3=C(O2)C=CC(=C3)F)C)C 1 5.521 0 3 7.8963748653515 2239011 CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC3=NC(=O)C4=CC=CC=C4N3 1 3.049 4 3 0 -14.6726019263205 2238995 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O 1 5.274 2 3 1.49987340655379 2238983 CC1=CC=CC=C1C2=NOC(=N2)C3=CC=CC=C3F 1 3.836 2 1 4.33530454583106 2238981 C1CCN(C1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.38 2 3 0 -9.51372480811397 2238961 CNC(=S)NC1=CC(=CC=C1)[N+](=O)[O-] 1 2.406 3 2 -9.57579018607589 2238956 CCN(CC)CCCNC(=S)NC1=CC=C(C=C1)Br 1 4.159 3 0 -9.58435371028924 2238887 CCOC1=C(C=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=N2)C(C)C 1 4.318 3 3 -7.08137610941668 2238872 CCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)C)C 1 2.757 3 5 0 -10.2942511370499 2238869 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)Cl)C 1 3.81 3 3 -11.9923284523138 2238833 CC1=CC2=NN=NN2C3=C1C=CC(=C3)OC 1 1.427 4 1 0 -5.16091163310627 2238820 C1CCC2=C(C1)C(=C(S2)NC(=O)CCCN3C=NC(=N3)[N+](=O)[O-])C(=O)N 1 1.589 6 4 0 -19.9935502441654 2238809 CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)F 1 1.915 2 4 0 -17.5639160466729 2238788 CC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.714 3 3 0 -7.81084200320623 2238736 CCN(CC(=O)NC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=C(C=C2)C 1 2.385 2 5 0 -20.3374119104685 2238727 CC1=CC=C(C=C1)NC(=O)NCCSC2=CC=C(C=C2)C 1 4.109 2 1 -5.84484531158489 2238725 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4OC3=O)[N+](=O)[O-] 1 4.041 2 6 0 -5.46704469588134 2238708 COC1=C(C=C(C=C1)CNC2=NN(C(=N2)NCC3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=CS4)OC 1 4.034 5 5 0 -10.69506748586 2238690 CC1=CC(=NC2=NC(=NN12)C(=O)NCC3=CC=CO3)C 1 0.88 5 2 0 -14.6597255886746 2238677 CC(C)(C)C1=CC=C(C=C1)COC(=O)CNC(=O)CNC(=O)CC2=CC=CC=C2 1 2.823 2 4 -11.492826273251 2238621 COC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(O2)Br 1 3.08 0 5 -6.27673017088677 2238616 C1CCCN(CC1)C(=O)N2CCN(CC2)C(=O)N3CCOCC3 1 0.261 4 3 0 -6.86515682987147 2238613 C1=CC2=NC=C(C(=O)N2C=C1)NC(=O)C3=CC=C(C=C3)Cl 1 0.914 3 2 0 -9.9621161249046 2238601 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)NC2CCCCCC2 1 2.992 2 3 -12.5900207011859 2238584 CCOCCCNC(=O)CN(CC1=CC=C(C=C1)Cl)S(=O)(=O)C 1 0.958 2 4 0 -18.8370372705093 2238562 C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)OCC3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 6.063 1 3 0.262207228814816 2238561 CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)Cl)C 1 5.026 2 3 -10.4442513708943 2238533 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)Cl 1 3.324 3 3 -11.5843620834842 2238485 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)SC 1 3.833 2 4 1.14144015086293 2238516 CC(C)CNC1=NC(=NC(=N1)OC2=NNC(=O)C=C2)NC(C)(C)C 1 1.949 7 2 0 -18.1975469319885 2238495 CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Br)Cl 1 3.406 3 2 -3.01106400916384 2238491 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)OCC 1 2.641 1 3 -13.3035594539183 2238490 C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCCCC3 1 -0.15 4 4 0 -10.5634211827845 2238455 CS(=O)(=O)N(CC(=O)NCCSC1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)OCO3 1 2.629 2 5 0 -14.3292222804318 2238454 CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)Cl 1 3.92 3 3 -1.44412887857438 2238453 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)OC 1 3.042 5 4 0 -29.4415156304664 2238434 CCOC(=O)C1=NN(C(=C1)OC(=O)C2=CC=CC=C2Br)C3=CC=CC=C3 1 4.994 2 4 -3.73651600238648 2238406 CC(C)(C)C(=O)NC(=S)NNC(=O)C1=C(C=C(C=C1)Cl)Cl 1 3.884 3 2 -9.53726233154181 2238398 CC1=CC=CC=C1NC(=O)NCCC2=CNC3=CC=CC=C32 1 3.63 3 1 -12.9528757912013 2238391 CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 3.133 4 3 0 -18.6544740560102 2238383 CSC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)F 1 3.065 1 2 2.91223216652552 2238371 C1CN(CC(=O)N1)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.22 4 4 0 -26.0304622573576 2238361 CC1=CC=CC=C1NC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C 1 3.16 3 3 -10.0645959216388 2238345 CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NC(C)C 1 5.16 2 2 -16.3031498575733 2238303 CC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C(C)(C)C)Br 1 3.625 3 3 -14.1953480823246 2238302 CN(C)C1=NC(=NC(=N1)NCC2=CC=CC=C2)SCC(=O)N 1 1.366 6 1 0 -9.65567157966887 2238286 COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NN2 1 1.165 4 3 0 -16.2706632990924 2238285 C1=CC=C(C=C1)CCNC(=O)C2=NN3C=C(C=NC3=C2)Br 1 2.392 4 1 -8.69169356921111 2238280 CN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)COC3=CC=CC=C3 1 3.128 4 2 -12.9627778353118 2238278 CC1=CC=C(C=C1)NC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.042 3 3 -11.3023378603647 2238273 CSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CO4)Cl 1 4.134 4 3 0 -21.8250873745115 2238272 CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)Cl)CC3=CC=CO3 1 6.393 2 2 -9.67033034808966 2238254 CC1=CC=CC=C1NC(=O)NC2=CC=CC=C2Br 1 3.757 2 1 -7.17654481763443 2238231 CC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3)C 1 2.083 3 3 -14.2126529687525 2238230 C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)N)C3=CC4=CC=CC=C4O3 1 3.44 4 2 -8.12529736228433 2238214 CC1=CC(=C(C(=C1C)S(=O)(=O)ON2C(=O)C3=CC=CC=C3C2=O)C)C 1 3.958 1 5 -3.18257606672054 2238198 CC1=CC=C(C=C1)NC(=O)NCCCN2CCCC2=O 1 1.148 3 2 0 -20.2044680716849 2238195 CCCOC1=CC=C(C=C1)C2=CN=C(N=C2N)SCC(=O)N 1 2.135 4 2 -5.07185003012764 2238188 C1COCCN1C(=O)COC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 1.254 2 5 0 -10.3695275447721 2238184 CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3F 1 3.654 4 2 -17.6930974405733 2238183 C1=CC(=C(C=C1NC(=O)CSC2=NC=CC(=O)N2)Cl)Br 1 2.503 3 2 -11.6038141692572 2238182 C1CCN(CC1)C(=O)C2CCC(CC2)C(=O)N3CCCCC3 1 2.509 2 2 -8.70138403860176 2238153 CC(C)(C)C(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)OC 1 2.539 3 3 -12.9135216188952 2238148 COC1=C(C=C(C=C1)Br)C2=NOC(=N2)C3=CC=CC=C3 1 3.877 2 2 4.74867141138364 2238139 CCOC1=CC(=CC(=C1OCC)OCC)C2=CN(N=C2N)S(=O)(=O)C3=CC=CC4=NSN=C43 1 4.067 5 5 0 -7.93805789310201 2238099 CCCCSC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)O 1 4.157 2 2 -13.4713172110132 2238088 C1CCN(CC1)CCCCOC2=CC=CC=C2[N+](=O)[O-] 1 3.406 2 3 -0.840738244560396 2238063 C1=CC(=C(C=C1Cl)Cl)NC(=O)CCC(=O)OCCCC(C(F)(F)F)(F)F 1 4.232 1 3 -11.3677214005738 2238014 CC1=C(C(=CC=C1)C)OCCCCC2=C(NN=C2C)C 1 4.475 2 1 1.40869537534335e-002 2238007 C1COCCN1CCCCCOC2=CC=C(C=C2)[N+](=O)[O-] 1 2.633 2 4 -1.9285272422283 2237947 C1CCN(C1)CCCCOC2=CC=CC3=CC=CC=C32 1 3.964 1 1 3.72377334596745 2237961 CC1=C(C(=NN1)C)CCCCOC2=CC=C(C=C2)[N+](=O)[O-] 1 3.397 3 3 -1.19842499408373 2237929 CC(C)SCCCCOC1=CC2=CC=CC=C2C=C1 1 4.704 0 1 0.908284327612308 2237896 CC1=CC(=NC(=N1)N2C(=CC(=O)C3=C(N(C(=O)N=C32)C4=CC5=CC=CC=C5C=C4)C)NC6=CC7=CC=CC=C7C=C6)C 1 6.043 6 2 0 -0.635337829069718 2237893 CC1=CC(=NC(=N1)N2C(=CC(=O)C3=C(N(C(=O)N=C32)C4=CC=CC=C4)C)NC5=CC=CC=C5)C 1 4.226 6 2 0 -2.71261624458502 2237892 C1C2CC3CC1CC(C2)(C3)C(=O)NCSCC(=O)O 1 2.006 1 3 -10.0827331468151 2237883 C1=CC=C(C=C1)C(=O)NCC2=CC(=CC(=C2OC(=O)C3=CC=CC=C3[N+](=O)[O-])Br)Br 1 5.444 2 5 0 -10.1900274483639 2237865 C1COCCN1C2=NC(=NC(=N2)OC(C(F)(F)F)C(F)(F)F)NC3=CC=C(C=C3)Cl 1 4.343 5 2 0 -3.14351976430285 2237852 CCCCOC1=CC=C(C=C1)CN2C3=CC=CC=C3OC2=O 1 4.441 1 3 0.141011756605155 2237836 CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(O3)C(=O)O 1 4.03 2 3 -7.67841296436359 2237830 C1CN(CCN1C(=O)N2CCOCC2)S(=O)(=O)N3CCOCC3 1 -2.245 4 5 0 -15.8046258202499 2237824 CCOC1=C(C=CC(=C1)S(=O)(=O)N2C=CC(=N2)C)Br 1 2.994 2 3 -9.04595581781829 2237819 CCOC1=C(C(=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C)C 1 2.209 2 3 -10.1859442541161 2237758 CCOC1=CC2=C(C=C1/C=C(/C#N)\C3=CC=C(C=C3)C(=O)O)OCO2 1 3.385 1 5 -10.1847570002881 2237734 CN(C)C1=CC=C(C=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3 1 4.37 3 0 -2.03720461747021 2237730 CC1=NC2=C(S1)C=CC(=C2)NC3=CC=NC=C3 1 2.574 3 0 0.538200011386112 2237723 CCOC1=CC=C(C=C1)C2=C(C(=O)N3CCCSC3=N2)C#N 1 2.461 3 2 -12.3311709187583 2237717 CC1=CC(=C2C(=C1)OC=C2CC(=O)NC3=NC=CS3)C 1 2.922 2 2 -7.11718979668546 2237714 CC1=C(N=CC=C1)NC(=S)NC2=C(C=C(C=C2)OC)OC 1 4.208 3 2 -6.49490220979687 2237698 COC1=CC=C(C=C1)CCNC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C 1 2.223 2 4 -16.4742745553221 2237685 C1CN(CC(=O)N1)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.844 3 2 -19.3448374607391 2237673 CC(C)COC1=CC=C(C=C1)CNC(=S)NCC2=CC=CC=C2 1 5 2 1 -8.78028775706633 2237665 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)C 1 2.01 3 4 0 -5.88754058175445 2237663 CC(C)OC1=CC=C(C=C1)CCC2=NNC(=S)N2CC3=CC=CC=C3 1 4.886 3 1 -5.46537804664399 2237660 CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NC=C(S3)CC4=CC=CC=C4Cl 1 4.429 6 1 0 -22.383001393898 2237656 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCCCC3)C 1 4.077 2 3 -7.57725105241987 2237641 COC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OC)C(=O)C4=CC=NC=C4 1 2.963 6 3 0 -4.26384284343497 2237636 CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC=C(C=C2)Br)/C=C/N3CCOCC3 1 1.439 3 4 0 -10.8350325827487 2237594 C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NCCO)Cl 1 3.189 2 2 -3.90233563268699 2237586 CCSC1=NC=C(C(=N1)C(=O)NC2=CC=CC=C2OC)Cl 1 3.324 3 2 -10.7889254998781 2237577 C#CCOC1=C(C2=CC=CC=C2C=C1)/C=C(/C#N)\C3=CC=C(C=C3)C(=O)O 1 5.369 1 3 -5.70864049749981 2237563 C=CCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=CC=C3 1 3.591 3 4 0 -18.7264512248752 2237560 COCCNC(=O)C1=NN2C=C(C=NC2=C1)Br 1 0.357 4 2 0 -11.7599775855129 2237552 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=NN4C=CC=NC4=C3Cl 1 0.886 5 3 0 -6.26857756990608 2237549 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 1.693 2 7 0 -20.1046468086188 2237527 COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 2.218 4 4 0 -15.0878765925372 2237510 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)C)Br 1 3.805 3 3 -10.8269044484933 2237509 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3 1 4.023 2 5 0 -1.57758310146654 2237501 CC(C)(C)C(=O)NC(=S)NNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 4.085 3 2 -16.5519714237189 2237500 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCCCC3 1 -0.606 4 4 0 -10.5634211827845 2237496 CCN1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC(=C(C=C2)OC)C 1 0.988 3 4 0 -10.1655875502166 2237491 CCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4)Cl 1 4.151 5 2 0 -23.6851046835568 2237488 COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3N4CCN(CC4)S(=O)(=O)C 1 2.676 3 4 0 -15.923077309679 2237485 C=CCC1=CC=CC=C1OCC(=O)NNC(=S)NCC2=CC=CC=C2 1 3.846 3 2 -16.2875265418537 2237484 COC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.536 3 6 0 -15.4379663908314 2237458 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C 1 1.636 5 3 0 -23.1715945190614 2237453 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C 1 2.075 3 6 0 -18.8473312198006 2237443 CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl 1 2.261 5 4 0 -11.7710798764185 2237442 CN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3 1 3.327 4 1 -13.5035279187219 2237430 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=NC=N3 1 0.38 5 3 0 -27.8510698082665 2237427 CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N(C)C 1 2.43 1 3 -4.5503361447711 2237425 CC1=CC(=CC=C1)NCCC(=O)C2=CC=C(C=C2)Br 1 4.377 1 1 1.63673217869289 2237411 CCNC1=NC(=NC(=N1)SCC(=O)N)OC 1 0.573 5 2 0 -12.3621312609129 2237376 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SC 1 2.504 6 3 0 -15.1022080275735 2237364 CC1=C(SC(=C1C(=O)N)NC(=O)C(C)(C)C)CC2=CC=CC=C2 1 3.616 2 2 -11.8982975827373 2237362 CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.493 3 3 -6.78514322826036 2237354 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl 1 5.268 3 2 5.09822649344201 2237347 CC1=C(C=C(C=C1)C(=O)NCCSC2CCCCC2)S(=O)(=O)NC3=CC=CC=C3C 1 4.97 2 3 -14.7216050702008 2237332 CCOC1=C(C=C(C(=C1)C)S(=O)(=O)NC2=CC=C(C=C2)F)C 1 3.827 1 3 0.9221492449302 2237330 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=O)C(C)(C)C)C 1 2.061 3 3 -18.3855498377562 2237309 CC1=CC(=C(C=C1)NC(=S)NC2=C(C=CC=N2)C)C 1 5.213 3 0 -5.02409996249786 2237305 CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC5=CC=CC=C5O4 1 4.266 2 5 0 -9.03289347604614 2237279 CC1=CC=C(C=C1)NC(=O)NCCCC2=CC=CC=C2 1 3.793 2 1 -7.66273727273913 2237272 COC1=CC(=C(C=C1)OC)C2=CN(N=C2N)S(=O)(=O)C3=CC=CC=C3 1 2.909 3 4 0 -4.42562782928345 2237261 C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=CO3 1 4.031 2 2 -0.124048426351038 2237250 CC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)F)Cl 1 3.879 2 1 -0.350187142473318 2237247 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=NN4C=C(C=NC4=C3)Br 1 0.97 5 3 0 -6.21735229230208 2237232 C1=COC(=C1)C2=CC(=NC(=N2)SCCCC(=O)NCC3=CC=CS3)C(F)(F)F 1 4.779 3 2 -13.1309707456121 2237231 CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)Br)Cl 1 2.621 3 3 -4.09163331561988 2237216 CCOC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=CS2 1 1.96 2 3 0 -13.2352266026446 2237211 COC1=CC=CC=C1C(=O)NNC(=O)OC 1 0.834 2 4 0 -9.94062947065919 2237189 CCOC1=CC(=CC(=C1OCC)OCC)C2=NC(=NO2)C3=CC=CC=C3OC 1 4.125 2 5 0 -4.0177086390641 2237155 CN1C2=CC=CC=C2N(C1=O)CCCOC3=CC=C(C=C3)Cl 1 3.463 2 2 -2.31839325512075 2237148 C1CCCN(CC1)S(=O)(=O)NC2=CC3=CC=CC=C3N=C2 1 1.891 3 2 0 0.619523038475405 2237144 CCOC1=C(C=C(C(=C1)C)S(=O)(=O)NC2=CC3=C(C=C2)C=NN3)C 1 3.266 3 3 -0.624867154135928 2237135 CN(CC1=CC=CC=C1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC(=C(C=C4)OC)OC)C(F)(F)F 1 4.813 4 3 0 -15.7177112060256 2237122 CC1=CC(=NC2=CC(=NN12)C(=O)NC3=CC=CC(=C3)C(=O)C)C 1 1.621 4 2 0 -15.7935050860548 2237121 COC1=CC=CC=C1CNC2=NC(=NN2)NCC3=CC=CC=C3OC 1 2.459 5 2 0 -1.30226570446169 2237100 CC1=CC=C(O1)CCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC 1 2.498 1 4 -16.7560721159481 2237069 CN(C)S(=O)(=O)N1CCN(CC1)C(=O)N2CCCCCC2 1 -0.247 4 3 0 -20.5649553084079 2237034 CC(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)OC)NCC3=CC=C(C=C3)OC 1 2.449 5 3 0 -4.42331974876604 2237021 COC1=CC(=C(C=C1)NC(=O)NC2=CC=CC3=CC=CC=C32)OC 1 3.398 2 3 -8.60442290317743 2237020 COC1=C(C=CC(=C1)NC(=O)COC2=CC=CC=C2[N+](=O)[O-])NC(=O)C3=CC=CS3 1 3.066 3 6 0 -17.9048378338715 2237016 CC(=C)CN1C(=O)C2=CC=CC=C2N=C1SCC#N 1 3.03 3 1 -20.6084158011099 2237015 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)NC2CCCCC2 1 2.334 2 4 -12.5964557680086 2236999 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)NCC2=CC=C(C=C2)Cl 1 2.582 2 3 -14.5522029316889 2236972 CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)C)C 1 3.749 2 4 -13.3993664450471 2236969 COCC1=NN2C(=C(C=NC2=C1C3=CC=CC=C3)C4=CC=CC=C4)N 1 2.951 4 1 -2.7266844964227 2236962 CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C)S(=O)(=O)NC3=CC=CC=C3C 1 3.191 3 5 0 -13.3649769674506 2236941 COC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4[N+](=O)[O-] 1 4.008 6 5 0 -7.7956327383601 2236940 CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC(=N2)OC)OC 1 3.923 5 5 0 -27.0060038469535 2236924 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CN=CC=C3)C 1 2.924 3 3 -9.09594159738088 2236915 CCOC1=C(C=CC(=C1)S(=O)(=O)N2C(=NC3=CC=CC=C32)C)F 1 3.501 2 3 -2.99393525788223 2236914 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NN4C=CC=NC4=C3Cl 1 1.755 4 3 0 -10.360772141671 2236889 CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C(=O)C5=CC=CC=C5)C 1 3.45 6 1 0 -6.91101832035835 2236888 CCN(CC(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.128 2 3 -18.1559529117716 2236875 CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)NC(=O)C 1 2.129 3 2 -9.05783262477972 2236874 COCCNC(=S)C1=CC=C(C=C1)OC 1 1.984 1 2 0 -3.20193095559134 2236868 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C3=CC4=C(C=C3)OCO4 1 3.391 3 4 0 3.23300886438144e-003 2236865 CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC=CO2)Cl 1 2.22 2 3 -10.0671647491219 2236841 COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)NCC2=CC=NC=C2 1 1.805 2 4 0 -5.79043345098773 2236832 CC1=CC=CC=C1C(=O)NCC(=O)NC2=CC=CC=C2C(F)(F)F 1 3.102 2 2 -14.8713523731088 2236829 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)NCC2=CC=CO2 1 1.241 2 5 0 -15.6393234050937 2236822 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)CSCC3=CC=CC=C3Cl 1 3.106 5 1 -19.2131258954967 2236821 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C)C 1 2.661 3 3 -4.82021467755112 2236819 CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.242 3 5 0 -18.4979573847385 2236768 CC1=CC(=C(C(=C1)C)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C 1 3.422 3 2 -9.1252250627642 2236750 CCOC(=O)CC1=CC(=O)N2C(=N1)C(=C(N2)C)C3=CC=C(C=C3)OC 1 1.246 3 4 0 -10.2823028287609 2236744 CCCCNC(=O)CN(CCC1=CC=CC=C1)S(=O)(=O)C 1 1.663 2 3 0 -18.739714257607 2236730 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N3C=CC=C3)C 1 2.126 6 3 0 -17.6114238726002 2236728 CCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NCCCN3CCOCC3 1 2.394 2 4 -9.75151447807703 2236694 CN1C2=CC=CC=C2N(C1=O)CCOC3=CC=CC=C3OC 1 2.72 2 3 -8.9324612856982 2236683 CN(C)C1=NC(=NC(=N1)NCC2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3 1 3.148 6 1 0 -11.3115540891278 2236682 CC1=C(C(=NN1CC(=O)NCC2=CC=CC=C2Cl)C)[N+](=O)[O-] 1 2.11 4 3 0 -16.3170233918678 2236672 CC(C)(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C 1 1.571 3 3 0 -23.5881053141798 2236651 CSC1=CC=CC=C1NC(=O)C2=NN3C=C(C=NC3=C2)Br 1 2.606 4 1 -10.87286453649 2236648 CC(C)(C)C(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 4.074 3 2 -9.33765900775334 2236643 CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)Cl 1 3.114 3 2 -6.57247730057159 2236636 COC1=C(C=C(C=C1)C(=O)NC(=S)NCCO)Br 1 2.104 2 3 -11.267604272441 2236635 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)C(=O)C5=CC=CC=C5 1 4.253 3 3 -0.762809906499351 2236619 CC1=CC(=C(C=C1S(=O)(=O)NC2=CC=CC=C2F)C)OC 1 3.479 1 3 0.272058489040362 2236617 CCOC1=CC=C(C=C1)N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C4=CC=C(C=C4)F 1 2.79 4 5 0 -24.2562799815346 2236615 COC1=C(C=CC(=C1)C=O)OCC2=C(N=NN2C3=NON=C3N)C(=O)OC 1 1.397 6 6 0 -29.3337403232711 2236605 C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)C#N 1 4.456 2 0 -0.639630124426665 2236604 CC1=C(N=CC=C1)NS(=O)(=O)C2=C(C=C(C(=C2)OC)Cl)OC 1 2.824 2 4 -6.07580616114535 2236601 COC1=CC=C(C=C1)C(=O)NCC(=O)NC2=CC=CC=C2C(=O)OC 1 1.513 2 5 0 -18.0338097517344 2236599 CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])Cl 1 5.282 4 3 0 -0.750038750232596 2236561 CCCC(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)OC)NCC3=CC=C(C=C3)OC 1 3.572 5 3 0 -8.29184441525273 2236553 C1=CC=C(C(=C1)C(=O)N2C3=CC=CC4=C3C(=CC=C4)C2=O)F 1 3.552 1 2 -1.26674662726539 2236530 CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2Br)CNC3CCCC3)OC 1 4.608 2 3 -7.66258860528492 2236501 COC1=C(C=C(C=C1)CNC2=NC(=NN2)NCC3=CC(=C(C=C3)OC)OC)OC 1 2.426 5 4 0 -4.10102455306515 2236497 CC1=CC2=NN(N=C2C(=C1N)Br)C3=CC=C(C=C3)OC 1 3.643 4 1 2.75259009627172 2236486 C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCCC3)C(=O)NC4=CC=CC=C4 1 3.371 3 2 -16.7041787019838 2236482 CC1=CC(N(C2=C1C=CC(=C2)OC)C(=O)CSC3=NNC(=N3)C)(C)C 1 2.989 4 2 -7.37881480713943 2236478 CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C(=C(C(=C3F)F)OC)F)F 1 4.289 3 3 -10.6915741401479 2236463 C1CCCN(CC1)C(=O)N2CCN(CC2)C(=O)N3CCCCC3 1 1.49 4 2 0 -3.97752668437921 2236435 C1=CC2=C3C(=C1)C(=O)N(C3=CC=C2)C(=O)C4=CC=CO4 1 2.742 1 3 -0.9717723975785 2236431 COC(=O)CCC(=O)NC(=S)NC1=C(C=CC(=C1)Cl)Cl 1 3.501 2 3 -13.0957570550883 2236397 C1=CN2C(=C(C(=N2)C(=O)NCC3=CC=CO3)Cl)N=C1 1 1.169 4 2 0 -10.9163991055132 2236395 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C3=NSN=C23)SC4=NC5=CC=CC=C5N4 1 3.207 6 2 0 -9.97177205296433 2235593 CCOCCCNC(=O)CN(C1=C(C=CC(=C1)[N+](=O)[O-])OC)S(=O)(=O)C 1 0.165 3 7 0 -24.4157276216536 2235591 CS(=O)(=O)NN1C=NC2=CC=CC=C2C1=O 1 -8.4e-002 3 3 0 -6.30443114166642 2235579 CCOC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)F 1 2.63 1 5 -5.97898912601732 2235573 CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NCCCN2CCOCC2 1 2.266 2 3 -4.60610239684138 2235561 C1=CC=C(C(=C1)CNC(=O)C2=C3N=CC=CN3N=C2)Cl 1 1.559 4 1 0 -10.4988444068599 2235559 COC(=O)C1=CC=CC=C1NC(=O)C2=NN3C=C(C=NC3=C2)Br 1 1.92 4 3 0 -12.3474358684388 2235555 COC1=CC(=C(C=C1)OC)NC(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.221 2 5 0 -12.3221064301282 2235553 CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C(C)C)C)[N+](=O)[O-] 1 2.633 4 3 0 -8.28099783073815 2235547 CCOC1=CC=CC=C1C2=NNC(=S)O2 1 2.875 2 2 -6.71520662679059 2235536 CC(=O)NC(=S)NC1=CC=CC=C1F 1 2.307 2 1 -7.27195069386592 2235534 CC1=CC(=C(C=C1Br)S(=O)(=O)NCCCN2CCOCC2)OC 1 1.848 2 4 0 -7.67364027890918 2235532 CC1=NN2C(=C3C4=C(CCCC4)SC3=NC2=O)NC1=O 1 1.611 4 2 0 -7.7466804924483 2235529 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC 1 1.847 2 4 0 -8.42613736790149 2235527 C1CCN(C1)C(=O)C2CCC(CC2)C(=O)N3CCCC3 1 1.596 2 2 0 -8.34691552443368 2235526 C1=CC2=C(C=CC=C2O)C(=C1)NC(=S)NC(=O)C3=CC=CO3 1 3.827 2 3 -5.79195878896604 2235525 CCOC1=CC(=C(C=C1C)C)S(=O)(=O)NCCCN2CCOCC2 1 1.934 2 4 0 -8.31997959423161 2235515 COC1=C(C=C(C=C1)Br)CNN2C=NNC2=S 1 2.182 4 1 -4.99320225882294 2235477 CC(C)(C)C(=O)NC(=S)NNC(=O)C1=C(C2=CC=CC=C2S1)Cl 1 4.373 3 2 -7.11317910863862 2235476 COCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)SC 1 3.238 4 3 0 -22.8297820608458 2235475 C1CC(=O)N(C(=O)C1)N(CC2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.051 3 5 0 -5.09654224304398 2235469 C1CC(=O)N(C(=O)C1)N(CC(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl 1 3.493 2 4 -5.96773225624308 2235466 CCCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)SC 1 3.421 5 1 -17.5415266619471 2235451 C1CCC(CC1)NC(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.185 5 1 0 -6.15754654158529 2235438 CCOC(=O)C1=C2N(C3=C(O2)C=CC(=C3)Cl)C(=O)C(=C1)NC(=O)C4=CC=C(C=C4)Cl 1 3.852 2 5 0 -6.01548010927336 2235425 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=NC=C3 1 1.794 3 4 0 -11.029745444768 2235416 C1CC(CCC1C(=O)NNC(=O)C2=CC=CS2)C(=O)NNC(=O)C3=CC=CS3 1 1.836 4 4 0 -10.549134009476 2235406 CCOC1=CC=CC=C1C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3 1 3.181 3 3 -15.7212886639824 2235392 CC1=C(C=C(C=C1)C(=O)N2CCCCCC2)S(=O)(=O)NC3=CC=CC=C3 1 3.591 2 3 -9.27320259559905 2235369 C1CC1C2=NC3=CC=CC=C3C4=NC(=NN24)N 1 1.822 5 0 0 -0.147767451119881 2235367 COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.923 1 6 0 -15.9751216558651 2235358 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CO2 1 1.966 3 4 0 -12.7727570636114 2235354 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCOCC3)C 1 0.205 3 5 0 -19.0783170155037 2235340 COC(=O)C1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2=O 1 1.601 1 5 0 -12.618989626601 2235318 C1COCCN1S(=O)(=O)NCC2=CC=CO2 1 -0.792 2 4 0 -8.51073762037259 2235311 C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)OCC3=CC=C(C=C3)Br)C4=CC=CC=C4 1 6.147 1 3 -1.19445251628662 2235309 COC1=CC(=C(C=C1)NC(=S)NC2=CC3=CC=CC=C3N=C2)OC 1 4.52 3 2 -5.43725403965245 2235302 CC1=C(C=C(C=C1)C(=O)NC(=S)NCC=C)Br 1 3.763 2 1 -11.271187706922 2235281 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C 1 3.539 2 3 -18.1995903769173 2235276 CC(C)(C)C(=O)NNC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl 1 3.487 2 3 -12.9892942223358 2235247 CC1=CC(=C(C=C1Cl)S(=O)(=O)NCC2=CC=NC=C2)OC 1 2.308 2 3 -1.64202767754267 2235240 C1COCCN1CC(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N 1 3.079 3 3 -5.61038645848936 2235236 C1=CC=C(C=C1)CCNC(=S)NC2=CC3=CC=CC=C3N=C2 1 4.603 3 0 -5.39201711288798 2235222 COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=CO3)C4=CN=CC=C4 1 2.554 5 3 0 -5.2060938533268 2235221 C1CC(=O)N(C(=O)C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CC=CC=C3Cl 1 4.485 2 3 -3.61232626211683 2235220 C1CC1C2=NC3=CC(=NN3C(=C2)C(F)F)C(=O)N4CCOCC4 1 1.555 4 2 0 -14.3814366351584 2235217 C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCO 1 1.035 2 2 0 -8.61033752987491 2235211 CC1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=CC(=C(C=C3)OC)OC)CCC(=O)O 1 4.217 2 5 0 -11.7536787290837 2235208 C1=CC=C(C(=C1)C#N)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 1.577 5 2 0 -13.4947950947582 2235199 COC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1F 1 2.378 2 3 -16.2552887266427 2235188 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3 1 1.405 3 4 0 -18.3214016642811 2235182 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCSC3CCCCC3)C 1 5.456 2 3 -14.6819537220977 2235161 CCN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)OC 1 3.625 4 2 -9.78991843640337 2235143 CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)CC5=CC=CC=C5 1 6.337 5 1 -1.95442061877422 2235108 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NN=C(S3)N 1 2.069 5 2 0 -11.5710653831442 2235081 COC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCCC2=O 1 2.083 3 3 -25.9750628440947 2235035 CCOCCCNC(=O)C1=CC=CC=C1SC 1 1.86 1 2 0 -17.8820831165392 2235034 COC1=CC=CC=C1CNC(=O)C2=CC=CC=C2NS(=O)(=O)C 1 1.516 2 4 0 -15.8569062537735 2234964 C1=CC=C(C=C1)CCCC(=O)NC2=CC=CC=C2C(F)(F)F 1 4.504 1 1 -7.69070214657874 2234959 C1COCCN1CCCNC(=O)COC2=C(C=C(C=C2)Br)Cl 1 2.175 2 3 -9.15023188417293 2234904 CC1=CC(=C(C=C1)C(=O)NCCCC2=CC=CC=C2)Cl 1 4.549 1 1 -4.52172175449226 2234876 C1=CC=C(C=C1)CCCC(=O)NCCCC2=CC=CC=C2 1 4.346 1 1 -13.9847826756158 2234851 CSC1=N/C(=C\C2=CC=C(O2)Br)/C(=O)S1 1 3.371 1 2 -8.86539114047753 2234820 C1=CC(=C(C=C1Br)Cl)OCC(=O)NN2C=NN=C2 1 1.481 4 2 0 -4.38787117660999 2234817 C=CCNC(=O)COC1=C(C=C(C=C1)Br)Cl 1 2.902 1 2 -8.77898881476618 2234725 CC1=CC(=C(C=C1)C(=O)NCCCN2CCOCC2)Cl 1 2.077 2 2 -5.6757595618456 2234647 CN(C1=CC=C(C=C1)C(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.124 3 5 0 -17.9245678251022 2234690 C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.583 3 4 0 -16.4994029736943 2234685 C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CO4 1 4.97 3 1 -9.13844704482352 2234677 CSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SC)Cl 1 2.549 5 1 -13.455928895021 2234675 C1=CC=C(C(=C1)C(=NCCC2=CC=C(C=C2)Cl)NS(=O)(=O)C3=CC=CS3)Cl 1 5.47 2 2 -5.54492399169673 2234665 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=C(C=C2)Br 1 3.474 1 5 -16.9406420562689 2234663 CNC(=O)CCCC1=NC(=NO1)C2=CC=CC=C2Cl 1 2.025 3 2 -8.00144599012301 2234662 CCS(=O)(=O)N1C(=NC(=N1)NCC2=CC(=CC=C2)OC)NCC3=CC(=CC=C3)OC 1 2.589 5 4 0 -7.03971525744546 2234627 CCCC(=O)N(C1=CC=C(C=C1)OCC)S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)N(C4=O)C 1 3.832 2 5 0 -12.9424644327534 2234617 COC(=O)NNC(=O)C1CCC(CC1)C(=O)NNC(=O)OC 1 -0.113 4 6 0 -9.44068366327524 2234599 CC1=CC=CC=C1NC(=O)NCCC2=CNC3=C2C=C(C=C3)OC 1 3.614 3 2 -11.2766221885886 2234557 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)F)OC 1 2.992 1 3 -2.37015676823959 2234553 C=CCNC(=O)C1CCC(CC1)C(=O)NCC=C 1 1.496 2 2 0 -12.8151489556947 2234552 CC(=O)C1=CC(=CC=C1)NC(=S)NC 1 2.252 2 1 -10.552523137107 2234548 C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=CC=C3)C(=O)C4=CN=CC=C4 1 2.995 6 1 0 -6.04278384386395 2234530 C1CN(CCN1CC(=O)NC2=NC=CS2)C3=CC=CC=C3 1 1.583 4 1 0 -3.24435157842881 2234525 CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)OC3=CC=C(C=C3)C(=O)OC)N(C)C)C 1 4.351 5 3 0 -6.48338778016174 2234507 COC1=C(C(=C(C(=C1F)F)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)F)F 1 4.86 3 2 0.64127297199945 2234500 C1CCC(CC1)NC(=O)CCCC2=NC(=NO2)C3=CC=CC=C3Cl 1 3.883 3 2 -9.88082699065347 2234491 C1CC1C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NCC4=CC=CO4 1 2.916 4 2 -19.388991088661 2234484 CCCNS(=O)(=O)C1=C(C=CC(=C1)Cl)OC 1 2.261 1 3 -6.44502468987888 2234469 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=CC=CC=C3 1 2.569 3 2 -5.04994334610328 2234461 COC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.339 2 6 0 -21.7187280855942 2234459 CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)NCC2=CC=CO2 1 2.989 1 4 -5.35009984459386 2234443 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 3.334 6 3 0 -14.4672609010845 2234402 CC1=CC(=NC(=N1)SCC(=O)N2CCC3=CC=CC=C32)C 1 2.596 3 1 -15.3160084247877 2234389 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CS2 1 3.326 4 3 0 -15.7336054752188 2234387 COC1=CC=CC=C1C2=NOC(=N2)C3=CC=CC=C3 1 3.128 2 2 2.55970865716169 2234382 CC1=C(C(=CC=C1)C)NC(=S)NC(=O)C2=CC=C(O2)Br 1 4.701 2 2 -9.79378508887264 2234375 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3 1 2.371 1 5 -5.99766145185349 2234365 COC1=CC(=C(C=C1C(=S)N2CCCC2)OC)OC 1 3.079 1 3 -8.13234349398158 2234361 CC1=C(C=CC(=C1)NC(=S)NC2=CC=CC=C2)Br 1 5.601 2 0 -3.58708987741102 2234360 CCOC1=C(C=C(C=C1)C(C)C)S(=O)(=O)NC2=NC=C(C=C2)Cl 1 3.897 2 3 -2.41503801055217 2234358 CC1=C(C=C(C=C1)C(=O)NC2=CN=CC=C2)S(=O)(=O)NC3=CC=CC=C3C 1 2.924 3 3 -10.9797670776579 2234355 CC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2CNC(C)(C)CC(C)(C)C 1 4.843 2 2 -11.7560339227095 2234341 C1CN(CCN1C2=CC=CC=C2)C(=O)CCSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 4.97 4 2 -1.9863807715564 2234313 CC1=C(C=CC(=C1C)S(=O)(=O)NC2CCCCC2)OC 1 3.555 1 3 -6.34620143984917 2234302 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3 1 0.759 3 3 0 -14.8810325569186 2234284 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CO3 1 2.612 2 5 0 -12.5025735301611 2234251 CSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SC/C=C/C3=CC=CC=C3)Cl 1 4.6 5 1 -12.9531291056569 2234248 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=N3 1 2.009 3 4 0 -12.8789075844521 2234231 C1CCCN(CC1)S(=O)(=O)NCC2=CC=CO2 1 0.894 2 3 0 -6.55255489892287 2234203 COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2)Br 1 2.058 3 3 -23.3719819651897 2234193 C1=CC=C(C=C1)C2=NN=C(O2)CN3C4=CC=CC=C4C5=NC6=CC=CC=C6N=C53 1 4.696 5 1 -4.67904805304833 2234132 C1CCCN(CC1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCOCC3 1 -0.559 4 4 0 -16.1747778826359 2234124 CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)CC3=CC=C(C=C3)OC 1 2.964 5 4 0 -20.7299322142349 2234105 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CCC(=O)NC3=CC(=C(C=C3)C)Cl 1 4.017 5 2 0 -15.5299232767913 2234100 C1=CC(=CC=C1S(=O)(=O)NCCNC(=O)C2=NON=C2N)Br 1 0.371 5 4 0 -17.0676543840443 2234099 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 3.154 4 3 0 -14.1502969701398 2234088 C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)CNC(=O)C3=CC=CO3 1 2.864 5 3 0 -22.733797053902 2234075 C1=CC=C(C=C1)COC(=O)C2=CC=C(O2)Br 1 3.232 0 3 -3.72139628014096 2234072 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NC4=CC=CC=C4N3 1 3.857 4 2 -5.0246561391861 2234059 CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C 1 2.722 4 3 0 -26.362548591167 2234057 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)C 1 5.311 2 3 -15.8941701506343 2234049 CN1C2=C3C(=C(C=C2)S(=O)(=O)NCC4=CC=CO4)C=CC=C3C1=O 1 1.575 2 4 0 -9.322312780513 2234048 CC1=CC(=NC2=CC(=NN12)C(=O)NCC3=CC=CO3)C 1 1.07 4 2 0 -18.507598708214 2234045 CS(=O)(=O)NC1=CC=CC=C1C(=O)NCCSC2=CC=CC=C2 1 2.139 2 3 -12.9145144215176 2234025 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCOCC3 1 1.6e-002 3 4 0 -16.043567710859 2233983 CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC=CC=C2F)Cl 1 3.03 2 2 -12.2124457659821 2233960 CCOC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)OC 1 1.99 2 4 0 -12.4196903191559 2233957 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C(C)C)C(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O 1 3.989 4 4 0 -7.92589549914186 2233956 CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=C4 1 4.935 3 1 0.365860414474416 2233946 C1CC(=O)N(C(=O)C1)N(CC2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)Cl 1 3.362 2 3 -2.61170727793756 2233926 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2CCCC3 1 3.895 1 3 -8.18101839741313 2233922 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=CC=C2Br 1 3.266 1 4 -8.68240541924425 2233919 CC(=O)NC1=CC(=CC=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O 1 1.272 2 6 0 -12.1626773838907 2233906 CC1=CC=C(C=C1)C(=O)NC2=CN=C3C=CC=CN3C2=O 1 0.736 3 2 0 -11.7841148154914 2233896 CCSCC1=NN=C(N1C)SCC(=O)NC2=CC(=CC=C2)SC 1 2.752 4 1 -15.0053956616108 2233895 C1CCCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 4.072 2 4 -4.83058105608038 2233891 CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3 1 3.695 1 4 -8.91699937044126 2233828 C1COCCN1C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4Cl 1 3.564 2 3 -11.2618867118128 2233875 COC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)CC3=CC=CS3 1 2.766 2 4 -11.8716822475561 2233874 C1CCCN(CC1)C(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 3.841 3 2 -1.38753905790703 2233856 CCSCC1=NN=C(N1C)SCC(=O)NC2=NC3=CC=CC=C3S2 1 2.835 5 1 -15.044306245596 2233849 C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)CCNC(=O)C3=CC=CS3 1 4.206 4 2 -19.5963462056739 2233805 COC1=CC=C(C=C1)NC(=O)C(=O)NCC(=O)NC2=C(C=CC(=C2)OC)OC 1 0.891 3 6 0 -15.3700898225928 2233799 CC1=C(C=CC=C1NC(=O)CSCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)OC 1 4.141 2 4 -18.9771192782896 2233785 COC1=CC=CC=C1NC(=O)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.552 3 5 0 -16.3083707128726 2233784 C1CCCN(CC1)C(=O)CNC(=O)CC2=CC=C(C=C2)Cl 1 2.376 2 2 -11.0310743327251 2233782 CC1(CC(CC(N1)(C)C)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Br)C 1 1.495 3 3 0 -17.2345644933975 2233775 COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)C2=CN=CC=C2 1 1.368 3 3 0 -6.70396911323797 2233748 COC1=CC=C(C=C1)CNC(=O)CSCC2=C(C=CC=C2Cl)F 1 3.875 1 2 -15.5407507468756 2233747 CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2Br 1 3.137 1 3 -7.12414568619008 2233680 CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl 1 3.653 3 4 0 -7.2653395844318 2233682 CC(=O)OC1=CC=C(C=C1)C2=NC(=NO2)C3=CN=CC=C3 1 1.762 3 3 0 1.49312163674369 2233683 CN(C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)OC 1 1.395 3 5 0 -11.4354702683861 2233686 COC1=C(C2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3N4CCOCC4)Br 1 4.105 2 3 -3.4627682054621 2233708 CN(CC(=O)NC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.957 3 3 -6.60569098548586 2233705 CC(C)CCNC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)OC 1 3.295 2 4 -17.5601585741296 2233703 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4 1 5.295 4 2 -12.5382359723609 2233645 C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)O 1 5.627 2 4 -12.0886206327315 2233643 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.758 5 3 0 -13.9497509440352 2233639 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C)C 1 3.195 3 4 0 -9.9615211938487 2233633 CC(C)N(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.854 4 4 0 -6.60195263428065 2233630 COC1=CC=CC=C1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O 1 2.927 1 4 -8.99481165372948 2233623 CCCCOC1=CC=C(C=C1)C(=O)N2CCCC2 1 3.017 1 2 -6.39831791739347 2233604 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 2.655 3 4 0 -2.07354468121163 2233591 CC1=NC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Br 1 2.002 3 3 -8.53834439640824 2233577 CCOC(=O)C1CCN(CC1)C(=O)COC2=C(C=C(C(=C2)C)Br)C 1 3.476 1 4 -7.95289047065871 2233564 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 2.257 2 4 -13.2184850253422 2233549 CC1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=CC=CO3)CCC(=O)O 1 3.645 2 4 -6.59179424398469 2233519 CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C(=O)OCC)C3=CC(=CC=C3)F 1 3.591 2 8 0 -9.68886488424529 2233513 COC1=CC=CC=C1CC(=O)NC2=CC=CC=C2O 1 2.391 1 3 -4.34302438662827 2233506 COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCCC2 1 1.937 2 3 0 -8.37247743642636 2233493 C=CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC5=C(O4)C=CC(=C5)Cl 1 4.799 5 2 0 -7.21355049795892 2233483 COC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)Br 1 2.468 1 4 -10.0916062197582 2233461 CC1=CC(=C(C=C1Br)C)OCC(=O)NC2CC(NC(C2)(C)C)(C)C 1 3.334 2 2 -11.3167222167268 2233459 CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC(=NO3)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5)C 1 5.365 4 4 0 -19.3241922549926 2233452 CN1CCN(CC1)C(=O)CNC(=O)CC2=CC=C(C=C2)Cl 1 0.96 3 2 0 -8.27403795785635 2233435 CC1=NC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3Br)N=C1C 1 4.046 2 2 -5.06306185643974 2233432 CC1=CC2=C(C=C1C)N(C=N2)CCOC3=CC=CC=C3C#N 1 4.034 3 1 -4.22320480088117 2233427 C1=CC(=CC=C1OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=CC=C(C=C3)Cl)Cl 1 4.028 2 6 0 -5.8259319054073 2233423 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)C3CCCCC3 1 3.49 4 2 -15.9077617300595 2233414 CS(=O)(=O)N(CC(=O)NCCSCC1=CC=CO1)C2=CC3=C(C=C2)OCO3 1 1.154 2 6 0 -17.384979954212 2233380 C1=CC=C(C(=C1)COC(=O)CNC(=O)CNC(=O)C2=CC=CO2)Br 1 1.532 2 5 0 -14.9869206595668 2233375 CCSCC1=NN=C(N1C)SCC(=O)NC2=CC=CC(=C2)C(=O)C 1 1.95 4 2 0 -19.9599566623981 2233355 C1CN(C2=CC=CC=C21)C(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O 1 3.261 2 3 -13.9442334632621 2233352 C1=CC(=CC(=C1)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4 1 2.17 2 5 0 -7.97669475320559 2233338 C1CCN(CC1)C(=O)CNC(=O)CNS(=O)(=O)C2=CC=CC=C2 1 -1.7e-002 3 4 0 -17.9285627099781 2233335 CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCC2)NC(=O)CC3=CC=CS3 1 3.702 2 4 -22.3074280510894 2233304 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2CCC3=CC=CC=C3 1 4.165 2 2 -10.2938612288239 2233291 CC(C)C(C(C)C)NC(=O)CN(C1=C(C=CC(=C1)[N+](=O)[O-])OC)S(=O)(=O)C 1 2.297 3 6 0 -17.0286115190736 2233288 COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)O)C(=O)OC)CC3=CC=CS3 1 2.461 1 5 -10.9185033253924 2233287 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)C(=O)NCC4=CC=CO4 1 3.027 3 3 -6.05964311428786 2233286 COC1=C(C=C(C=C1)C2=NOC(=N2)COC3=CC4=C(C=C3)OCO4)OC 1 2.715 2 6 0 -2.20061380907458 2233281 CC(C)(C)SCCNC(=O)CN(C1=CC(=C(C=C1)F)Cl)S(=O)(=O)C 1 2.421 2 3 -17.4821909297346 2233278 COC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O 1 1.36 2 6 0 -17.1764009788856 2233251 CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CNC(=O)C3=CC(=C(C=C3)OC)OC 1 2.674 4 5 0 -19.7546249984816 2233239 CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)CSCC 1 1.556 5 1 0 -20.4134758728492 2233212 C1CC(=O)N(C(=O)C1)N(CC2=CC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.135 3 5 0 -6.55320198814542 2233210 CC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)Cl 1 5.771 2 3 -3.23012335848096 2233199 CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3 1 3.074 2 3 -14.2175947802293 2233184 CCN(CC)C(=O)CNC(=O)CC1=CC=C(C=C1)Cl 1 1.7 2 2 0 -12.9322058607269 2233174 CCSCC1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)OC 1 2.194 4 2 -17.8019589484211 2233157 CC1=CC=C(C=C1)C(=O)NC2=CN=C3N(C2=O)N=C(S3)C 1 1.475 4 2 0 -10.4322552151703 2233154 CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4)C(=O)O 1 2.528 2 6 0 -12.6002651570236 2233124 C1=CC=C(C(=C1)COC(=O)CNC(=O)CNC(=O)C2=CC=CS2)Br 1 2.09 2 4 -16.5439372983285 2233111 CC1=NC(=CC=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O 1 2.651 3 3 -9.1935752875525 2233105 COC(=O)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4 1 2.267 2 6 0 -17.3856681022278 2233097 CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC=C(S3)C 1 1.138 3 3 0 -10.2701550428933 2233093 C1CCN(CC1)C(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 3.385 3 2 -1.38753905790703 2233090 C1=COC(=C1)CNC(=O)CNC(=O)CC2=CC=C(C=C2)Cl 1 1.562 2 3 0 -13.5163410396651 2233087 CC1=CN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 1.476 3 4 0 -4.44702351851433 2233073 C1=CC(=CN=C1)C(=O)NNC(=O)CSC2=CC=C(C=C2)Cl 1 1.778 3 2 0 -7.69062965304434 2233057 CCN(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Br 1 3.008 2 3 -18.6838212679784 2233047 CC1=CC(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)C)O 1 3.18 1 3 -1.22943416965678 2233022 CCCCOC1=CC=C(C=C1)C(=O)N2CCCCCC2 1 3.929 1 2 -6.75278643156155 2233018 CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)O)C 1 3.052 1 4 -6.65921162470585 2233014 CC1=CC=CC(=C1)C2=NN=C(O2)C3=CC(=CC=C3)NC(=O)CC4=CC(=C(C=C4)OC)OC 1 4.327 3 4 0 -2.95176821509025 2233007 CC1=CC=C(C=C1)C(=O)NC2=CN=C3N(C2=O)C4=C(S3)C=C(C=C4)C 1 3.444 3 2 -8.86267775880229 2232985 CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=CS3 1 2.792 2 3 -12.1227454304213 2232952 C1CC(=O)N(C(=O)C1)N(CC2=C(C=C(C=C2)Cl)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.715 3 5 0 -3.96249793586194 2232943 C1COCCN1C(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 3.854 1 3 -5.31206193728635 2232939 CCN(CC)C(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 4.06 2 4 -6.70391914641729 2232934 C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC=NC=C4 1 2.875 4 1 2.55272267474499 2232921 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)OC 1 3.287 2 6 0 -16.7548942213643 2232920 CCSCC1=NN=C(N1C)SCC(=O)NC2=C(C=CC(=C2)F)C 1 2.902 4 1 -18.3195096341159 2232918 CCSCC1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)OC 1 2.813 3 2 -12.5275400331042 2232905 CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C(=C(C(=C3F)F)OC)F)F)Cl 1 3.463 3 3 -3.7101432681664 2232899 C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)Cl 1 4.69 3 1 5.18943920198152 2232883 COC1=C(C=C(C=C1Cl)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)Cl 1 5.445 1 2 1.03291777263809 2232874 COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=CC=C2)OC 1 1.641 2 4 0 -15.8098826659398 2232860 CN(C1CCCCC1)C(=O)C2=CC3=CC=CC=C3C=C2O 1 3.768 1 2 -0.902553583804496 2232829 CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NCCS3 1 2.007 3 3 -18.0315042795885 2232824 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C(=O)NC3=CC=C(C=C3)CC(=O)O 1 2.459 2 5 0 -9.61233930445049 2232815 C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC(=C3NC(=O)C4=CC=C(O4)Br)Cl)Cl 1 5.915 2 2 5.81374808878303 2232809 CC1=CC=C(C=C1)OC(=O)CCC(=O)OCCCC(C(F)(F)F)(F)F 1 4.037 0 4 -10.7268372787674 2232803 CC1=C(C(=CC=C1)OCCCCC2=C(NN=C2C)C)C 1 4.475 2 1 3.17071663824187 2232783 COC1=CC(=CC=C1)OCCCCCN2CCOCC2 1 2.722 1 3 -0.42525132827757 2232771 C1=CC2=NC3=CC(=CC(=C3C(=O)N2C=C1)[N+](=O)[O-])[N+](=O)[O-] 1 1.126 4 5 0 -9.84165218567499 2232762 CCC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)(C)C 1 0.191 3 3 0 -18.5577443129679 2232750 CC1=CC=CC=C1OC(=O)CCC(=O)OCCCC(C(F)(F)F)(F)F 1 4.037 0 4 -10.608570965656 2232741 CCN(CC)CCCCOC1=CC=CC=C1OC 1 3.275 1 2 -3.38667882777306 2232643 C1=CC=C(C(=C1)C(=O)NNC(=O)/C=C/C(=O)O)Br 1 1.199 2 4 0 -6.30519651770657 2232595 CCOC(=O)C(CCCOC1=CC=CC(=C1)OC)C(=O)OCC 1 3.059 0 6 -6.60623860953628 2232554 CC1=C(C(=NN1)C)CCCOC2=CC=CC=C2OC 1 3.03 2 2 -1.86460328269479 2232545 CCOC(=O)C(CCCOC1=CC=CC=C1C)C(=O)OCC 1 3.561 0 5 -5.26524838979014 2232537 CC1=CC(=CC=C1)OCCCC2=C(NN=C2C)C 1 3.532 2 1 2.6609871815451 2232505 CCC1=NN=C(S1)N=C2N(C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/S2)CC=C 1 3.519 5 1 -12.9256427175223 2232477 C1COCCN1CCCOC2=CC=CC=C2[N+](=O)[O-] 1 1.596 2 4 0 -2.67506729114907 2232473 CC1=C(C(=NN1)C)CCCCOC2=CC=CC=C2 1 3.502 2 1 0.819188844218416 2232461 CC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)(C)C 1 -0.476 3 3 0 -15.7154250342368 2232433 CC1=C(C(=NN1)C)CCCCCOC2=CC=CC=C2OC 1 3.942 2 2 -2.37187153078405 2232417 CCN(CC)CCCCCOC1=CC=CC=C1OC 1 3.732 1 2 -3.44392894530942 2232409 CN(CC(=O)NCCCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Br 1 3.116 2 3 -14.2082250726298 2232400 C1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=C(O2)Br 1 1.637 2 3 0 -11.9688847258527 2232382 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)NCCOC)Cl)C 1 3.816 3 5 0 -19.3435047593818 2232369 C1CCN(CC1)C(=O)CNC(=O)CC2=CC=C(C=C2)Cl 1 1.92 2 2 0 -11.0310743327251 2232362 CC1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=CC=CS3)CCC(=O)O 1 4.203 2 3 -8.33437643469947 2232358 CC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C(=O)C(=O)N4CCOCC4 1 3.435 2 4 -12.4301852781114 2232356 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=S)NC(=O)C3=C(C=CC(=C3)Cl)Cl 1 5.461 4 3 0 -2.60706522245239 2232324 COC1=CC=CC=C1C(=O)NCC(=O)NC2=CC=CC=C2 1 1.658 2 3 0 -13.297829719824 2232323 CC1=CC(=C(C=C1C)OCC(=O)NC2=CC(=CC=C2)O)C 1 3.666 1 3 -0.649881302532611 2232318 CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)C2=CC=CC=C2 1 2.67 2 3 -18.8325274972435 2232310 CC(C)OCCCNS(=O)(=O)C1=CC=C(C=C1)SC 1 1.94 1 3 0 -7.56711566005855 2232304 CCCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)C 1 3.725 1 2 -9.44189603546597 2232277 CC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)COC3=CC=CC=C3OC 1 3.099 2 5 0 -12.29788708638 2232266 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)N3CCOCC3 1 2.527 1 4 -13.8105909571874 2232202 CC1=CN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4 1 1.555 3 4 0 -10.8930096959804 2232218 COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NC(=O)C(=C(N3)N)C4=CC=CC=C4)OC 1 2.847 5 4 0 -7.16773811325811 2232250 CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=CC=C3F 1 3.044 2 3 -12.9326411980725 2232244 COC1=C(C=CC(=C1)NC(=O)C2=C(C(=C(C(=C2F)F)OC)F)F)NC(=O)C3=CC=CS3 1 4.141 2 4 -13.1139841300786 2232235 COC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC(=CC=C3)OC 1 2.761 2 5 0 -8.3959161497777 2232234 C1COCCN1C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N 1 0.17 3 4 0 -14.2663365488943 2232224 CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=NC=C2 1 2.776 2 2 -6.37772015151964 2232196 C=CCN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)CCNC(=O)C4=CC=CC=C4F 1 3.8 6 2 0 -24.7635419875903 2232189 C1CCN(C1)C(=O)CNC(=O)CC2=CC=C(C=C2)Cl 1 1.464 2 2 0 -10.676605818557 2232178 CCCCOC1=CC=C(C=C1)C(=O)NC 1 2.35 1 2 -8.11482122484451 2232159 CC(C)(C)SCCNC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)F 1 3.333 2 3 -18.3387159335342 2232149 CCCCOC1=CC=C(C=C1)C(=O)NCC2=CC=NC=C2 1 2.783 2 2 -9.37009230117617 2232133 CCCCCNC(=O)CN(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C 1 1.559 2 5 0 -20.0530657721041 2232126 C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)CCNC(=O)C3=CC=CC=C3F 1 3.38 5 2 0 -28.850862997916 2232111 CC1=C(C=C(C=C1)NC(=O)CCC2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)OC)Cl 1 3.514 5 3 0 -17.4227289711605 2232077 CC1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.88 4 4 0 -11.5507034868856 2232061 CC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)CC3=CC=CS3 1 3.269 2 3 -11.4378356533196 2232058 CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 4.079 2 1 -2.44704600457498 2232044 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C)C 1 2.661 3 3 -6.54780867669075 2232040 C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=CC=C3)NC(=O)CNC(=O)C4=CC=C(O4)Br 1 3.048 4 3 0 -4.40015068567549 2232012 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)Br 1 4.737 2 3 -12.2130321234848 2232007 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 3.72 3 3 -1.19945524186373 2232003 C1=CC(=CC(=C1)Br)C(=NOC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])N 1 3.064 3 4 0 -0.940535256685547 2231996 CCN1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C 1 1.388 3 3 0 -11.1317526149957 2231989 CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C)S(=O)(=O)NC3=CC=CC=C3 1 2.705 3 5 0 -11.7611564995222 2231979 C1=CC=C(C=C1)C2=NOC(=N2)CCCCCN3C(=O)C4=CC=CC=C4C3=O 1 3.511 3 3 6.07276582420326e-002 2231948 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)C(=O)NC4=CC=CC=C4 1 3.838 3 2 -1.37278976842138 2231941 C=CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCNC(=O)C3=CC=CS3 1 3.436 5 4 0 -24.9615994841101 2231932 CCSCC1=NN=C(N1C)SCC(=O)NC2=NC(=CS2)C 1 1.49 5 1 0 -18.7202479553471 2231893 C1CN(CCN1CC2=CC=CC=C2)C(=O)CNC(=O)CC3=CC=C(C=C3)Cl 1 2.543 3 2 -7.33327908604619 2231873 CC1=C(SC(=C1C(=O)OC)N)C(=O)NCCC2=CC=CC=C2 1 2.615 2 3 -7.01417928857734 2231832 CC1=CC=C(C=C1)SCCNC(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)C 1 2.561 3 6 0 -17.9241659944845 2231830 COC(=O)C1=CC(=CC=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 2.352 3 3 -6.17891206282576 2231817 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC(=O)O 1 2.459 2 5 0 -9.21691416122072 2231792 COC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC(=CC=C2)Br 1 3.06 1 4 -10.0022983529994 2231791 CC1=C(C=C(C=C1)C(=O)NCCSC2CCCCC2)S(=O)(=O)NC3=CC=CC=C3 1 4.484 2 3 -12.903531360488 2231787 CC1=NC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3OC)N=C1C 1 2.627 3 2 -8.80829913586573 2231786 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br)C(=O)C4=CC=CO4 1 3.801 3 3 -4.38153317001679 2231754 C1=CC=C(C(=C1)CSCC(=O)NN2C(=O)C3=CC=CC=C3C2=O)Cl 1 2.76 2 3 -10.9436822090212 2231744 CC1=C(C=C(C=C1)NC(=O)CCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3C)Cl 1 4.017 5 2 0 -20.6596433608786 2231736 CCCCOC1=CC=C(C=C1)C(=O)NCC2=CC=CC=N2 1 2.998 2 2 -11.0508414438479 2231689 CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C 1 3.375 3 4 0 6.68960931975195 2231690 C=CC1=CC(=CC=C1)NC(=O)COC2=CC=CC=C2 1 3.001 1 2 -5.06100717053836 2231696 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 4.278 3 2 -2.73325726439561 2231714 C1CC(=O)N(C1=O)N(CC2=CC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)Cl 1 3.449 2 3 -3.43146377999988 2231699 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)CSCC 1 2.764 4 1 -17.7316289534726 2231676 C1CN(CCC1C(=O)N)C(=O)C2=CC=CC=C2CCC3=CC=CC=C3 1 3.149 2 2 -8.88086555913856 2231671 C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)CCNC(=O)C3=CC=CS3 1 3.128 5 2 0 -24.6579396670548 2231612 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 2.841 2 3 -6.10510074474005 2231605 COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)N 1 1.897 4 2 0 -16.8154652704203 2231602 CC1=CC(=C(C(=C1)C)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)N(C)C)C 1 2.633 3 3 -12.7446486470484 2231591 CCN(CC)C(=O)C(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3 1 3.93 2 2 -4.46565643724863 2231579 CC(=O)NC1=CC=CC=C1C(=O)C(=O)NC2=CC(=CC=C2)Br 1 2.369 2 3 -8.8132671183972 2231578 C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCC2=CC=CO2 1 1.436 1 4 0 -17.8738019198852 2231577 CC1=C(C=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)O)C(=O)O)C 1 2.81 1 5 -3.53009827081138 2231572 CCOC1=CC=CC=C1C2=NC(=NO2)C3=CC(=CC=C3)Br 1 4.226 2 2 6.37651233598177 2231570 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCSC3=CC=C(C=C3)C)C 1 5.174 2 3 -10.8728414263114 2231560 C1=CC=C2C(=C1)NC(=N2)COC3=CC=CC4=C3N=CC=C4 1 3.292 3 1 -3.44963087390005 2231549 CC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)O 1 2.935 1 2 -0.578603326695389 2231507 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=C(NC(=O)NC2=O)C)C 1 1.152 3 4 0 -12.793033520807 2231501 CCN1C2=C(C=C(C=C2)S(=O)(=O)NC3CCCCC3)C(=O)N(C1=O)CC 1 2.443 3 4 0 -12.6316330898887 2231493 C1=CC=C(C=C1)SCCC(=O)NC2=NC=CC=N2 1 1.998 3 1 0 -7.65696176129415 2231481 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC3=CC=CC=N3 1 2.864 3 2 -7.57037722819988 2231474 CSC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC=C 1 2.684 2 3 -13.1722190259011 2231467 COC1=CC=C(C=C1)CC2=NN=C(O2)SCC3=NC(=O)C4=CC=CC=C4N3 1 2.746 4 3 0 -16.9231132071457 2231446 CC1CCN(CC1)C(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.053 2 3 -11.7921290640769 2231443 C1COC2=C(O1)C=CC(=C2)C3=NN4C(=NN=C4S3)CN5C6=CC=CC=C6N=N5 1 2.826 7 2 0 -12.3976836308674 2231441 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3 1 2.444 3 3 -9.49338770913509 2231436 CCCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 4.798 3 3 -15.3489887929179 2231420 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)NC3CCCC3 1 2.339 2 4 -19.0355745551188 2231419 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.42 3 5 0 -10.0071305321609 2231398 CC(C)(C)SCCNS(=O)(=O)C1=CC=C(C=C1)SC 1 2.827 1 2 -3.88594704999987 2231395 CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)CN3CCCCC3)C 1 4.413 2 2 -2.75010684550067 2231355 CC1=C(C2=CC=CC=C2N1CC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C 1 2.626 2 4 -15.152574706274 2231342 CC(C)N(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)C(Cl)(Cl)Cl 1 3.151 3 2 -0.375471219865378 2231332 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 4.304 2 5 0 -7.86964845389196 2231322 CC1=CC2=C(S1)N=C(N(C2=O)C)SCC(=O)C3=CC4=CC=CC=C4O3 1 4.019 2 3 -7.3275886560452 2231319 C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=NO3)C4=CC=C(C=C4)Cl)C5=CC=NC=C5 1 4.665 6 1 0 0.983568023061486 2231318 CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC)C 1 3.137 6 3 0 -16.7291253470452 2231305 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=C3 1 1.261 2 5 0 -25.421914977997 2231292 COC(=O)C1=CC(=NN1CC2=C(C=C(C=C2)Cl)Cl)C(=O)OC 1 3.822 2 4 -4.54722676293927 2231290 COC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC(=O)C(=C(N3)N)C4=CC=CC=C4 1 2.863 5 3 0 -3.69206639309864 2231276 CCCCC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C(C)C)OC 1 3.914 3 3 -23.6508805190863 2231275 CN(C1=CC=C(C=C1)C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.48 2 5 0 -15.7908398781336 2231273 CS(=O)(=O)NC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=CC=C3 1 2.589 4 2 -7.11509348730271 2231259 CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC(=NO3)C4=CC=CS4)C5=CC=CC=C5)C 1 5.351 4 2 -21.5039104576196 2231258 C1=CC2=C(C=C3C(=C2N=C1)OC(=S)N3)Cl 1 3.562 2 1 0.519384361315567 2231249 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C3=CC=CS3 1 3.576 3 2 -3.18342233870871 2231248 CSC1=NC=C(C=N1)C(=O)NC2=CC=CC=C2 1 1.898 3 1 0 -3.22133020553127 2231244 C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=NC(=NO3)C4=CC=CC=C4 1 1.973 3 4 0 -4.91777304076319 2231243 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)OCCNS(=O)(=O)C 1 0.423 3 6 0 -15.4567867140545 2231218 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)OC)Cl 1 3.118 1 4 -8.82977079687215 2231199 C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)F)SCC4=NC(=NO4)C5=CC=C(C=C5)Cl 1 6.056 5 1 -1.24254359330897 2231194 CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)F)C5=CC=NC=C5 1 4.693 6 1 0 0.539938868527551 2231188 CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(O3)Br 1 3.59 1 3 -3.84421651144236 2231186 CCOCCC1=NN=C(S1)NC(=O)CC2=C(C=CC=C2Cl)F 1 2.587 3 2 -16.9171218040432 2231172 CC1=C(C=CC(=C1)S(=O)(=O)NCCOC2=CC=CC=C2)OC 1 2.843 1 4 -4.14313761113325 2231165 C1=CC=C(C(=C1)CC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)N)Cl 1 3.501 1 3 -8.32543929570323 2231160 C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NCC3=CC=CC(=C3)C(=O)O 1 2.851 4 3 0 -11.597184069062 2231148 CCN(CC)C(=O)C(=O)C1=CN(C2=CC=CC=C21)CCOC3=CC=CC=C3 1 3.959 2 3 -10.1454666883772 2231145 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)NC(=O)C)O 1 9.4e-002 4 5 0 -20.2873672442772 2231134 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=NC3=CC=CC=C3C=C2 1 2.675 3 3 -9.43542609135183 2231120 COC1=CC=C(C=C1)CSCCC2=NNC(=S)N2C3=CC=CC=C3 1 4.31 3 1 -8.37559687386198 2231095 CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=C4N=CC=CN4N=C3 1 2.146 6 1 0 -11.3412875290781 2231092 COC(=O)C1=CC=CC=C1NC(=O)C2=C3N=CC=CN3N=C2 1 0.743 4 3 0 -12.5317957312923 2231071 CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)C2=CC3=C(C=C2)OCO3 1 2.102 2 5 0 -20.2520887319098 2231070 CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)OCC(=O)N3CCCC3 1 2.521 2 4 -8.84494691258095 2231055 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=N3 1 1.555 3 4 0 -24.8536709452155 2231010 CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O 1 3.16 1 5 -12.1143987233685 2230995 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C)O 1 4.636 1 5 -6.41346655456077 2230978 COC1=CC=C(C=C1)C(=O)/C=C\N2CCOCC2 1 1.395 1 3 0 -1.49102583699601 2230954 C1CCC2=C(C1)C3=C(C=C(C=C3)OCCO)OC2=O 1 2.777 0 4 -8.18412742962955 2230942 CCC(CC)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC 1 2.762 1 4 -12.5255564938795 2230895 CC1=NN(C2=C1C3=CC(=C(C=C3C(=N2)C4=C(C=CC(=C4)OC)OC)OC)OC)C5=CC=CC=C5 1 5.377 3 4 0 -0.115369792285001 2230893 CCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=C(C=C3)C(=O)O)C 1 2.675 4 3 0 1.52235171350555 2230874 C1=CC=C(C=C1)C(=O)C2=CC=C(O2)C(=O)NC3=CC(=CC=C3)O 1 3.463 1 4 -1.63699164506221 2230845 C1=CC(=CN=C1)/C=C\2/C=C(OC2=O)C3=CC=C(C=C3)Cl 1 3.064 1 2 0.560242025534393 2230831 CC1=C(N2C=CC=CC2=N1)C3=CSC(=N3)NC4=CC=CC(=C4)C(=O)O 1 2.768 4 2 3.719184914941 2230807 COC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)OC)C(=O)NC3=CC=C(C=C3)O 1 3.744 1 5 -4.8845805721197 2230772 COC1=CC=CC=C1OCCOC2=CC=C(C=C2)C=NN3C=NN=C3 1 2.644 4 3 0 -3.33487179565371 2230746 CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])F)F 1 3.585 3 4 0 -7.72444863943803 2230655 CC(C)N(C(C)C)C(=O)COC1=C(C=C(C=C1)Br)Cl 1 3.944 1 2 -4.06502200314041 2230620 CCSC1=N/C(=C\C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])/C(=O)S1 1 4.856 2 4 -7.45607048679218 2230607 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)/C=C\C(=O)O 1 1.978 2 4 0 -8.35694290490753 2230540 COCCNC(=O)COC1=C(C=C(C=C1)Br)Cl 1 2.155 1 3 -9.70202068603343 2230496 CC(C)(C)C(=O)NCCCC1=CC=CC=C1 1 3.281 1 1 -11.6474475726182 2230478 COC1=CC=CC=C1OCCCOC2=C(C=C(C=C2)/C=C\3/C(=O)NC(=O)S3)OC 1 3.587 1 6 0 -1.99195075443968 2230447 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CO3)N4CCOCC4)Cl 1 3.795 3 4 0 -4.99106350853091 2230384 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C 1 1.468 3 4 0 -19.6318553870467 2230378 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3C(=O)NC(C)C 1 3.759 3 3 -20.5438799265435 2230358 COC1=NC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43 1 3.193 2 4 -7.1768139139128 2230352 C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC3=CC=C(C=C3)F 1 2.7 1 3 -0.742158430472985 2230330 CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)F)C)C 1 3.845 6 2 0 -16.4589967768477 2230326 CS(=O)(=O)N(CC(=O)NCCSC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3 1 1.965 2 5 0 -17.0743861963347 2230317 COC1=C(C=C(C=C1)CCNC(=O)CN(C2CCCCC2)S(=O)(=O)C)OC 1 2.16 2 5 0 -18.2203089447139 2230316 CCNS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C 1 1.e-003 2 4 0 -7.54546813071388 2230309 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC 1 2.207 2 4 -12.2083352393395 2230305 C1=CC=C(C=C1)CC2=NN3C(=NN=C3S2)C4=CC=CC=C4Br 1 4.161 4 0 -3.18244084440741 2230304 CCN1C(=NN=C1SCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC)C4=CC=CS4 1 3.844 5 3 0 -7.77810020421431 2230288 C1=CC(=CC(=C1)Cl)OCC(=O)NNC(=O)CCC(=O)O 1 0.552 2 5 0 -10.9343630518003 2230280 CC1=C(C=CC(=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)O)OC 1 2.803 1 5 -13.6653363903696 2230271 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=N3 1 0.326 3 5 0 -26.8118536666652 2230259 CCN(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 1 2.26 2 3 -20.2382013147482 2230249 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C(=O)OCC 1 1.203 3 5 0 -13.4500839731547 2230238 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.14 2 5 0 -19.9652850414346 2230226 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3C 1 3.301 5 3 0 -19.8625701218348 2230213 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)NCC2=CN=CC=C2 1 1.11 3 3 0 -16.1374636176343 2230199 CCN(CC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=CC=C2 1 1.787 2 5 0 -23.1790740112238 2230192 CC(C)CNC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)NC3=CC=CC=C3 1 2.444 6 2 0 -12.9311455035943 2230191 CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)CCC5=CC=CC=C5 1 6.129 5 1 -5.15609942017039 2230181 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 1 4.59 2 4 -10.6403592363043 2230170 CCOCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 3.785 3 4 0 -10.6867510369687 2230163 CC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC3=C(CCCC3)C=C2 1 3.902 1 2 -8.91438593940923 2230160 C1=CC=C(C=C1)OCCNC(=O)CC(=NO)N 1 0.256 3 3 0 -4.72326671961375 2230158 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N=C3 1 4.512 3 1 3.3674405113947 2230147 C1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2Cl 1 4.339 3 1 -12.6227868030982 2230146 C1CCC(CC1)N(CCCCO)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 6.226 2 2 -1.82186420810853 2230131 C1COCCN1C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 2.335 1 3 -8.05443764861463 2230103 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC(=C3)O)OC 1 4.399 2 4 -11.1783635488047 2230101 CS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2 1 1.51 2 4 0 -9.34306340848038 2230092 CC1=CC=CC=C1OCC(=O)NNC(=S)NC 1 1.741 3 2 0 -10.7704721094678 2230087 C1CC2=CC=CC3=C(C=CC1=C23)C(=O)NCCCCO 1 2.65 1 2 -4.08486335153555 2230086 COC1=CC=CC=C1CNC(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.245 2 4 -16.0066257039385 2230067 C1=CC(=C(C(=C1)Cl)CSCC(=O)NC2=CN=CC=C2)F 1 2.734 2 1 -11.9468592800525 2230065 C1=CC(=CC=C1NC(=O)CSCC#N)Br 1 1.91 2 1 0 -10.5193690630398 2230064 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)CC3=CC=C(C=C3)Cl 1 1.894 2 4 0 -16.3668869122548 2230040 C1=CSC(=C1)C(=O)CCNC2=CC(=CC(=C2)Cl)Cl 1 4.425 1 1 -3.54788264359443 2230039 COCCSC1=NN=C(S1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2 1 1.674 3 4 0 -22.160488107328 2230030 CCCCC1=NN=C(S1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2 1 2.561 3 3 -17.7373993935785 2230025 CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3 1 4.082 2 1 -8.29274056277631 2230022 COC1=CC=CC=C1NC(=O)CN2C=C(C3=CC=CC=C32)C#N 1 2.828 3 2 -11.8568357325838 2230006 C1=CC=C(C=C1)N2C(=NN=N2)SCCCC(=O)C3=CC=C(C=C3)F 1 3.831 4 1 -15.0176365471729 2230000 C1=CC2=C(C=CC(=C2)NCC3=CC=C(C=C3)Br)N=C1 1 4.156 2 0 1.86546662046674 2229996 C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=NO3)C4=CC=CS4)C5=CC=CO5 1 4.5 5 2 0 -5.83667820723567 2229995 CC1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 2.029 2 4 -16.4400689663818 2229966 CCCCS(=O)(=O)NC1=CC2=C(C=C1)N(C=N2)C3CCCCC3 1 3.649 3 2 -7.52491484073608 2229956 CC1=CC=CC=C1NC(=O)C(=O)C2=CN(C3=CC=CC=C32)C 1 3.486 2 2 -6.41804434174282 2229952 CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)C)C 1 6.079 2 3 -3.28878875375359 2229949 C1CC2=C(C1)SC3=C2C(=O)NC(=N3)SCC4=NNC(=S)N4C5=CC=CC=C5 1 4.444 5 1 -22.5026424628643 2229943 CC1=C(C(=O)N2C(=N1)N=CN2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 -0.831 6 5 0 -10.2950542624045 2229921 CN(C)S(=O)(=O)N(CC(=O)NC1=CC(=CC=C1)SC)C2=CC=CC=C2 1 1.716 3 3 0 -9.51444748116477 2229916 COCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SC 1 2.233 2 3 -19.7392960953264 2229903 CC1=C(C=CC(=C1)S(=O)(=O)NC(C)C)OCC(=O)NCC2=CC=CC=C2 1 2.58 2 4 -19.2039705325644 2229899 CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 2.756 2 4 -19.1648717508136 2229898 CCCCCNC(=O)C1=CC=CC=C1SC 1 3.364 1 1 -15.2213233418207 2229882 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C#N)C 1 4.627 4 3 0 -22.7530502710859 2229879 CC(=O)C1=CC(=CC=C1)N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)C 1 2.074 2 4 -22.6172775251559 2229873 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCCOC 1 2.285 2 4 -15.6223486321565 2229869 COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 1.424 2 4 0 -9.09620110299549 2229858 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCOCC(C(F)F)(F)F 1 3.015 1 3 -5.92237000641726 2229845 C1=CC=C(C=C1)OCCNC(=O)C2=NC=NN2 1 0.836 4 2 0 -8.26320054587469 2229818 COC1=CC=CC=C1C2=NOC(=N2)C3=CC=CC=C3C(=O)NCC4=CC=CO4 1 3.102 3 4 0 -11.0770541070362 2229810 C1=CC(=C(C(=C1)Cl)CSCC(=O)NCCSCC2=CC=CO2)F 1 3.687 1 2 -13.0788191340489 2229787 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=NS3)SC 1 3.898 4 2 -11.0156725094653 2229765 COC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4 1 3.353 4 3 0 -5.85169456691977 2229763 CCOC(=O)CC1=CSC(=N1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2 1 1.912 2 5 0 -16.9597453165791 2229751 CC(=O)NC1=CC=CC=C1C(=O)C(=O)NC2=CC(=C(C=C2)F)Cl 1 2.49 2 3 -8.27612653890743 2229748 CCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)C2=CC=CC=C2 1 2.683 2 3 -22.6178072516541 2229697 C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)N4CCOCC4 1 1.499 3 4 0 -18.22946212149 2229706 CCOC(=O)C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4CC4 1 2.769 2 4 -17.4565339943871 2229740 CCCCC1=NN=C(S1)NC(=O)C(=O)OCC 1 1.614 3 3 0 -10.4016806853388 2229716 CCOC(=O)C1=CC=C(C=C1)OCC2=NC(=NO2)C3=CC=CS3 1 3.138 2 4 -7.35274605497753 2229711 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)CCCC(=O)O 1 1.666 2 6 0 -19.3590471142627 2229707 C1=CC(=CC=C1C(=O)CCCSC2=NN=C(S2)SCCCC(=O)C3=CC=C(C=C3)F)F 1 5.99 2 2 -7.80390190569475 2229675 CN1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4 1 2.868 4 2 -15.0101719379222 2229672 C1COCCN1C(=O)C(=O)C2=CN(C3=CC=CC=C32)CCOC4=CC=CC=C4 1 2.949 2 4 -13.2568375735061 2229662 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C4N=CC=CN4N=C3)C#N 1 1.936 5 1 0 -19.7563839665177 2229627 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)Br 1 4.253 2 3 -22.8736697314508 2229604 C1=CC=C(C=C1)C2=NC(=NN2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O 1 2.274 4 4 0 -5.18712119597901 2229593 C1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)Cl 1 2.079 1 2 -11.2855000721438 2229588 COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CN4CCOCC4 1 3.963 5 3 0 -15.9336235180109 2229582 COC1=CC(=C(C=C1)OC)NC(=O)CN2C=C(C3=CC=CC=C32)C=O 1 2.692 2 4 -8.7145929930864 2229580 C1CC(C1)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.029 1 1 -12.2650290259635 2229561 C1CN(CC2=CC=CC=C21)C(=O)CCS(=O)(=O)CC3=CC=CC=C3 1 2.535 1 3 -15.3369283193255 2229560 C1=CC(=CC=C1NC(=O)CSCC#N)F 1 1.367 2 1 0 -10.1728309830599 2229558 COC1=CC=CC(=C1)C2=NOC(=N2)CCC(=O)NC3CCCCC3 1 2.746 3 3 -6.85696932996574 2229512 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 4.171 3 3 -13.6738531174873 2229506 C1=CC(=CC=C1CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl)C(=O)O 1 6.309 2 2 -1.52906674128277 2229490 CCOCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=C(C=CC=C2Cl)F 1 2.71 2 4 -17.8609498177356 2229473 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC=CC=N3)Cl 1 1.763 3 4 0 -24.1838858929216 2229450 CC1=CC=CC=C1CNC(=O)NC2=CC=C(C=C2)Cl 1 3.68 2 1 -3.82282546063917 2229425 CC1=C(C=C(C=C1)C(=O)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)NC3=CC=CC=C3 1 4.866 2 3 -8.19288133754658 2229385 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 0.801 2 5 0 -22.2585885540668 2229382 CCOCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 1.544 4 6 0 -19.4333288156075 2229373 CCOC(=O)C1=C(N=C(C(=C1C2=CC(=CC=C2)N)C(=O)OCC)C)C 1 2.424 2 4 -1.0139937364533 2229371 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)NC2CCCCC2 1 2.536 2 3 -12.5900207011859 2229355 CC1=C(N=C(S1)NC(=O)CSC2=NC(=CC(=O)N2)O)C3=CC=CC=C3 1 2.619 4 3 0 -16.2864698167024 2229345 CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC=CC3=C2C=CC(=C3)O 1 4.754 2 3 -4.9279566831846 2229326 C1=CC(=CC(=C1)F)/C(=C\C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Br)/C#N 1 5.806 1 3 -6.34362958261354 2229313 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 3.392 3 5 0 -29.1893245735847 2229262 COC1=CC=CC=C1NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)N4CCOCC4 1 1.936 3 5 0 -19.9066738971287 2229309 CC(C)OCCCNC(=O)C1=C(C=C(C=C1)SC)OC 1 2.221 1 3 -10.420493342599 2229303 CC1=C(C=C(C=C1)C(=O)NNC(=S)NCC=C)Cl 1 3.187 3 1 -11.9553539899728 2229294 COCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CN=CC=C3 1 0.365 3 4 0 -12.5950166151601 2229277 CCOC(=O)CC(=O)CSC1=NC2=C(C=C(S2)C)C(=O)N1CC3=CC=CO3 1 2.9 2 5 0 -19.3083295553717 2229235 CS(=O)(=O)NC1=CC=CC=C1C(=O)NCCSCC2=CC=CC=C2 1 2.146 2 3 -15.6544895791082 2229217 C1CCC(CC1)NC(=O)C(=S)N2CCOCC2 1 1.903 2 2 0 -11.6407521418217 2229216 CCOC(=O)CC1=CSC(=N1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 1.732 3 5 0 -15.8974644219986 2229211 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)NCC3=CC=CC=C3 1 2.521 2 4 -21.0837126560992 2229205 C1CN2C(=O)C(=C(N=C2SC1)C3=CC=C(C=C3)Br)C#N 1 2.877 3 1 -10.7866426124208 2229203 CCN1C2=C(C=C(C(=C2)C)S(=O)(=O)NCCOC3=CC=CC=C3)N(C1=O)CC 1 2.831 3 4 0 -8.86099861300041 2229196 C1=CC(=C(C=C1NC(=O)CSC2=NN=C(S2)N)C(=O)O)Cl 1 1.571 4 3 0 -15.8621263377615 2229193 CC(C)OCCCNC(=O)C1=CC=CC=C1OC2=CC=CC=C2 1 3.256 1 3 -11.3911931906328 2229179 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=CC=NC=C2 1 1.221 3 3 0 -18.5125081303753 2229174 C1COCCN1C(=O)COC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl 1 1.919 2 5 0 -8.39087471581198 2229171 CCCCC1=CC=C(C=C1)NC(=O)CSCC2=CC(=O)NN2 1 1.986 3 2 0 -12.8249549911813 2229170 CC1CCN(CC1)CC(=O)NC2=CC(=CC=C2)Cl 1 2.789 2 1 -4.45454865739739 2229154 CN(C1=CC=C(C=C1)C(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.975 2 3 -9.30908688502152 2229146 COC1=CC(=C(C=C1)OC)NC(=O)CN2C=C(C3=CC=CC=C32)C#N 1 2.811 3 3 -10.8180184135303 2229132 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3F 1 2.689 2 4 -19.9594454158709 2229128 C1CN(CCN1C(=O)CCSC2=CC=CC=C2)C(=O)C3=CC=CO3 1 2.162 2 3 -8.34433293982047 2229127 C1COCCN1C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)F 1 3.105 2 3 -11.1729610775725 2229123 COCCN1C(=O)C2=CC3=C(C=C2C1=O)C(=O)N(C3=O)CCOC 1 -0.367 2 6 0 -5.57945277893676 2229106 C1=CC(=C(C(=C1)Cl)CSCC(=O)NCC2=CC=NC=C2)F 1 2.741 2 1 -15.6517889885074 2229104 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=CC=C3 1 2.133 5 3 0 -21.3514547129649 2229088 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=CC=CC=C4 1 2.894 5 2 0 -11.8958619070487 2229087 CC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2Cl)OC 1 3.347 2 4 -17.8577023644106 2229079 CN1C2=CC(=C(C=C2N(C1=O)C)Br)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.532 4 4 0 -13.3647879796464 2229066 CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)CCNC(=O)C3=CC=C(C=C3)OC 1 3.53 5 3 0 -21.8229191663341 2229058 CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 5.028 4 2 -15.3256120585333 2229057 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CO3 1 0.443 2 6 0 -26.76058674776 2229055 COC1=C(C=C(C=C1)CCNC(=O)CSCC2=C(C=CC=C2Cl)F)OC 1 4.18 1 3 -18.9473119633788 2229052 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 2.612 4 4 0 -5.8162624489806 2229030 COCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC=CS3 1 0.513 3 4 0 -14.001443637958 2229029 CC1=C(C(=O)N2C(=N1)N=CN2)NS(=O)(=O)C3=CC=C(C=C3)OC 1 -0.741 5 4 0 -8.61362268419136 2229005 COC1=CC=CC=C1C2=NOC(=N2)CCC(=O)NC3CCCCC3 1 2.746 3 3 -14.1432816007928 2229004 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NC3=CC=C(C=C3)CC(=O)O 1 3.022 1 4 -5.69132567667144 2228987 C1CCN(CC1)C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)N5C2=NN=C5 1 3.643 5 1 1.7885566680352 2228981 CN1C=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-] 1 1.48 4 4 0 -15.7706813454559 2228980 C1CN(CC2=CC=CC=C21)C(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=CO5 1 3.888 4 2 -14.9511276312475 2228977 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)N 1 2.393 4 3 0 -19.5326111114279 2228974 CC1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OC 1 4.262 2 3 -10.1859440315575 2228943 CCOC1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC=C(C=C4)F 1 3.916 4 1 -1.34187893875588 2228922 C=CCNC(=O)C1=CC=CC=C1CCC2=CC=CC=C2 1 4.085 1 1 -14.4187020954136 2228914 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.133 2 5 0 -15.6273243751144 2228893 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2SC 1 3.537 2 3 -12.8777888751929 2228882 C1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)C3=CC=CC=C3C(F)(F)F 1 5.09 1 2 -2.72419764033302 2228841 CCOC(=O)C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 3.07 2 5 0 -14.7098137175077 2228823 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CN=CC=C3)Cl 1 1.548 3 4 0 -24.5020216998831 2228813 C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)Br 1 5.516 1 1 -5.18804333648964 2228811 COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3 1 3.307 4 2 -5.79292309781649 2228807 CS(=O)(=O)NC1=CC=CC=C1C(=O)NCCSC2=CC=C(C=C2)Cl 1 2.804 2 3 -10.0009375086023 2228802 CCC1=CC(=CC(=C1)C)OCCNC(=O)C2=NC=NN2 1 2.265 4 2 -8.01168659134916 2228801 CC(C)OCCCNC(=O)CN1C(=O)C2=CC=CC=C2C1=O 1 0.58 2 4 0 -16.44086003974 2228800 CN(C)C(=O)NC1=C(C=C(C=C1)F)F 1 1.563 2 1 0 -1.15477903098097 2228786 CCOC(=O)CC1=CSC(=N1)NC(=O)CCSC2=CC=CC=C2 1 2.921 2 3 -11.9514388222011 2228772 C1CCN(CC1)C2=CC=C(O2)/C=C(/C#N)\C3=CC(=CC=C3)F 1 4.459 2 1 -1.18299855657563 2228771 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)CC(=O)NC3=CC=CC=C3OC 1 2.883 5 3 0 -20.8449366736041 2228761 CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)CC(=O)NC3=CC(=C(C=C3)C)Cl 1 6.121 4 1 -14.1916704435656 2228740 CSC1=CC=CC=C1C(=O)N2CCC3=CC=CC=C3C2 1 3.443 1 1 -14.621504880292 2228738 CC(C)(C)SCCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C 1 1.494 2 3 0 -12.937973586315 2228715 CC(C)OCCCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C 1 0.607 2 4 0 -15.8113363108377 2228702 CC1=CSC(=N1)NC2=CC=C(C=C2)Cl 1 2.687 2 0 5.02481541135712 2228691 CCOC(=O)CN(C1=CC=CC=C1C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.73 1 4 -13.4931088056662 2228687 CC(=O)NC1=CC(=CC=C1)NS(=O)(=O)CC2=CC=C(C=C2)Cl 1 2.109 2 3 -4.94400699280324 2228684 CCN(CC(=O)NC1=CC=CC(=C1)C(=O)C)S(=O)(=O)C2=CC=CC=C2 1 1.672 2 4 0 -18.5716609503177 2228683 CC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl 1 1.866 2 4 0 -6.84364813386801 2228671 COC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)CC5=CC=CC=C5 1 5.834 5 2 0 -2.36738682791836 2228670 C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC3=CC(=CC=C3)F)C(F)(F)F 1 4.967 1 2 2.5572233427754 2228668 COC1=CC=C(C=C1)CC2=NN3C(=NN=C3S2)C4=CC=CC=C4Br 1 4.145 4 1 -2.61217915175955 2228649 C1=CC(=CC=C1CS(=O)(=O)NC2=NC=C(C=C2)Cl)Cl 1 3.041 2 2 -2.15502142297088 2228606 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2 1 1.958 1 7 0 -18.8462333462641 2228594 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.624 3 3 -9.37877951443597 2228584 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.324 3 6 0 -18.2827268859021 2228582 CC1=C(C=CC(=C1)S(=O)(=O)NC(C)C)OCC(=O)N2CCOCC2 1 0.89 2 5 0 -18.252942178565 2228581 C1=CC2=C(C(=C1)NC(=O)C3=CC=CO3)C(=CC=C2)NC(=O)C4=CC=CO4 1 3.098 2 4 -2.24242747883158 2228580 C1=CC=C(C=C1)N2C(=NN=N2)OCCOC3=NN=NN3C4=CC=CC=C4 1 2.303 8 2 0 -7.92196292323604 2228569 CC(C)NC(=O)CN(CCC1=CC=CC=C1)S(=O)(=O)C 1 1.061 2 3 0 -18.1811710171269 2228540 C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 3.767 2 3 -11.5348724627669 2228538 C1=CC2=C(C(=C1)OCCNS(=O)(=O)C3=CC=C(C=C3)F)N=CC=C2 1 2.765 2 3 -8.41107392136456 2228528 CN(C1=CC=C(C=C1)C(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.822 3 3 -9.11347439978515 2228525 C1CC2=CC=CC=C2N(C1)C(=O)CN3C(=O)CN(C3=O)C4=CC=C(C=C4)Br 1 2.949 3 3 -14.3646538196579 2228524 CN(C1=CC=C(C=C1)C(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.829 3 3 -11.9263927546361 2228520 CCOCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2 1 1.806 2 4 0 -15.8376326821101 2228514 CCOC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)Cl 1 2.294 1 4 -15.7545147321196 2228501 CC(C)NC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C(=O)N3CCOCC3 1 1.103 3 4 0 -24.5193753504508 2228493 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)NCC=C)Cl 1 4.564 3 4 0 -19.6746301788686 2228455 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=CC=CC=N2 1 1.437 3 3 0 -20.0580847195505 2228413 COC1=CC=CC=C1OCC(=O)NCC2=NC(=NO2)C3=CC=CC=C3 1 2.023 3 4 0 -8.05225626978726 2228411 CC1=C(C=C(C=C1)NC(=O)CC2=CC3=C(CCCC3)C=C2)C 1 5.135 1 1 -6.59133683092822 2228401 CCOC(=O)CN1C(=O)CN(C1=O)C2=CC=C(C=C2)C 1 1.37 2 4 0 -11.3350278061789 2228400 CC(C)OCCCNC(=O)C1=CC=C(C=C1)NC(=O)C 1 0.816 2 3 0 -15.7356156908917 2228399 CCCCS(=O)(=O)NC1=CC2=C(C=C1)N=CN(C2=O)C 1 1.196 3 3 0 -5.46941794181214 2228387 CC(C)OCCCNC(=O)CC1=CC=C(C=C1)F 1 1.936 1 2 0 -13.0159423916343 2228376 CC1=C(C2=CC=CC=C2N1)CCNC(=O)CCC(=O)C3=CC=CC=C3 1 3.337 2 2 -9.75224556088173 2228369 C1=CSC(=C1)C(=O)NCCNC(=O)C2=NON=C2N 1 -0.127 5 3 0 -16.3346286078324 2228363 CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2SC 1 3.649 1 1 -12.6578115580972 2228362 COCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CN=CC=C3 1 0.372 3 4 0 -17.4068199196443 2228360 CCNC(=S)NC1=C(C=CC(=C1)C(=O)N2CCCC2)N3CCCC3 1 3.359 4 1 -12.3523867775297 2228353 CSC1=CC=C(C=C1)S(=O)(=O)NC2CCCCCC2 1 3.597 1 2 -4.85205988809063 2228347 CCOC1=C(C=CC(=C1)C=O)OCCSC2=CC=C(C=C2)Cl 1 4.76 0 3 -4.67202587983046 2228346 CCOCCC1=NN=C(S1)NC(=O)COC 1 -0.245 3 3 0 -15.6537012016216 2228298 C1CN(CCN1CC2=CC=CC=C2)C(=O)CCS(=O)(=O)CC3=CC=CC=C3 1 2.417 2 3 -8.7672518247138 2228302 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)Cl 1 6.257 2 3 -3.0043657740017 2228305 CCOCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 1.684 3 7 0 -20.2226795919486 2228306 CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)OCC(=O)N3CCOCC3 1 1.747 2 5 0 -10.7677118765246 2228311 C1CCC2=C(C1)C=CC(=C2)OCC3=NC(=NO3)C4=CC=CS4 1 4.447 2 2 -4.21724749242001 2228339 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCOCC2 1 0.682 2 4 0 -14.9557502974889 2228338 C1=CN=CC=C1CNC(=O)C2=CC(=C(C=C2Cl)F)F 1 2.546 2 1 -5.94030899611903 2228323 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C 1 1.756 3 8 0 -22.3245408311103 2228290 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 3.299 3 3 -5.35980134661698 2228276 CC(C)(C)SCCNS(=O)(=O)C1=CC(=C(C=C1)OC)Cl 1 2.934 1 3 -8.41220268493072 2228275 CSC1=CC=CC=C1NC(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.796 2 3 -15.2935828862049 2228269 C=CCCC(=O)NC1=CC=C(C=C1)COC(=O)N2CCOCC2 1 1.803 2 4 0 -13.5473421808707 2228264 CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC(=C3C(=C(OC3=N2)C)C)NC(=O)C4=CC=CC=C4 1 4.419 4 5 0 -17.4002132612624 2228252 CN(C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.379 3 6 0 -18.0115987939721 2228240 C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC4=C(C=C3)C5=CC=CC=C5O4 1 3.596 1 5 -4.64668405529369 2228228 COC(=O)C1=CC=C(C=C1)COC(=O)CCC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.254 1 5 -4.57392527850902 2228220 CC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)C 1 1.395 4 7 0 -27.7074963015692 2228208 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCOCC3)C 1 2.391 2 4 -10.8731415013351 2228185 CC1=CC=CC=C1CSCCNC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 2.458 2 5 0 -20.720258714435 2228178 C1=CC=C(C=C1)CCNC(=O)CCS(=O)(=O)CC2=CC=CC=C2 1 2.575 1 3 -16.2743864272765 2228164 COC1=NC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3 1 3.352 2 3 -2.51563645895677 2228143 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.458 2 5 0 -14.0832029131712 2228117 CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(F)(F)F 1 6.068 3 3 -2.94953763461991 2228103 CCCOC1=CC=C(C=C1)C(=O)CCNC2=CC(=C(C=C2)C)Cl 1 5.149 1 2 -0.908597043051836 2228099 CCCCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 3.38 2 3 -8.61187126440869 2228090 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCCSC2CCCCC2 1 2.421 2 3 -12.3870871579292 2228051 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=CO2)S(=O)(=O)C 1 0.65 3 7 0 -21.2826216380502 2228039 CSC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NCC=C 1 2.981 2 2 -20.5614511596555 2228009 COCCCNC(=O)CN(CC1=CC=C(C=C1)Cl)S(=O)(=O)C 1 0.609 2 4 0 -17.3291253317796 2228007 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC3=C(C=C(C=C3)Br)C(=O)O 1 3.936 1 3 -6.56414601736422 2228005 C1OC2=C(O1)C=C(C=C2)NS(=O)(=O)CC3=CC=C(C=C3)Cl 1 2.757 1 4 -3.52304870080829 2228001 C1CN(CCN1C2=CC=CC=C2)C(=O)CCS(=O)(=O)CC3=CC=CC=C3 1 2.506 2 3 -8.45637273811537 2227998 CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCCCC3 1 2.508 2 3 -13.2982282624887 2227993 CC1=CC=CC=C1CNC(=O)C2=CC=CC=C2NS(=O)(=O)C 1 2.018 2 3 -14.4814589441524 2227985 CCCCC1=NN=C(S1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 2.313 3 3 -14.4421043117562 2227984 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4F 1 5.728 1 1 -4.38227141994039 2227973 CCOCCC1=NN=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 0.566 4 4 0 -16.9072632998925 2227967 CCN1C2=C(C=C(C=C2)S(=O)(=O)NCCOC3=CC=CC=C3)C(=O)N(C1=O)CC 1 2.217 3 5 0 -10.1836066959097 2227940 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N 1 3.636 5 3 0 -14.5181474958202 2227937 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCN3CCOCC3 1 2.105 3 3 -7.82553932811525 2227932 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN3C(=CC(=NC3=N2)C)C 1 2.837 5 2 0 -15.2322715715158 2227931 C1=CC(=CC(=C1)Cl)NC(=O)NCCSCC2=CC=CO2 1 2.989 2 2 -3.60081032238001 2227918 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NC4=CC=CC=C4C=C3 1 3.488 3 1 -2.56558774381193 2227910 CCCCCOC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)SC)Cl 1 5.589 1 2 -2.1765932699911 2227908 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCCC2=CC=C(C=C2)OC 1 2.677 2 4 -18.3701040372559 2227897 C1=CC=C(C(=C1)C(=O)N)NS(=O)(=O)CC2=CC=C(C=C2)Cl 1 1.991 2 3 0 -6.66698466730695 2227890 CCCCC1=NN=C(S1)NC(=O)CCSC2=CC=CC=C2 1 3.57 3 1 -12.7290928992005 2227873 CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)OCC(=O)N3CCN(CC3)C 1 2.017 3 4 0 -6.44237905188028 2227871 CCOCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 0.69 3 6 0 -17.8510913135848 2227866 CC(C)NC(=O)C1=CC=CC=C1NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.933 2 4 0 -19.7104296149337 2227852 CC1=CC2=C(C=C1)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5 1 4.382 2 3 9.50829614880372 2227829 CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.325 3 6 0 -9.25285410802544 2227811 CCCCS(=O)(=O)NC1=CC=C(C=C1)CC2=CC=NC=C2 1 2.893 2 2 -2.96128375882568 2227784 CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC(=NO3)C4=CC=C(C=C4)OC)C5=CC=CC=C5)C 1 5.381 4 3 0 -15.8485205348331 2227771 CC(C)C(=O)NC(=S)NC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3 1 4.274 4 2 -12.6680401135915 2227768 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)SC 1 3.679 2 5 0 -3.77492099892357e-002 2227762 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)F)F)Cl 1 3.376 1 3 -2.42791062094803 2227761 COC1=C(C=C(C=C1)CC(=O)NNC(=S)NC2=CC=CC=C2)Cl 1 3.957 3 2 -8.12674395072707 2227749 CC1=CC=CC(=C1)C2=NC(=S)C3=C(O2)CCCC3 1 4.518 1 1 -4.18464495753614 2227739 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C5N=CC=CN5N=C4 1 0.825 5 3 0 -4.76540480270504 2227731 CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CNC(=O)C3=CC=C(C=C3)OC 1 2.691 4 4 0 -15.7787464400022 2227730 C1=CN=CC=C1NC(=O)C2=CC(=CN=C2)Br 1 1.061 3 1 0 -4.13193537594307 2227723 CS(=O)(=O)N(CC(=O)NCC1=CC=CO1)C2=CC3=C(C=C2)OCO3 1 0.54 2 6 0 -19.5096766145843 2227708 CCCC(=O)NC(=S)NC1=C(C(=CC=C1)Cl)N2CCCC2 1 4.512 3 1 -11.1616139616364 2227706 CCOCCCNC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.995 2 5 0 -18.7905818133981 2227693 C1=CC=C(C(=C1)NCC(=O)C2=CC=C(C=C2)Br)Cl 1 4.307 1 1 -2.54835699049939 2227640 CC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 1.285 3 6 0 -25.9345512781033 2227641 COC1=CC=C(C=C1)C2=NOC(=N2)COC3=CC4=C(C=C3)OCO4 1 2.732 2 5 0 1.19857629547192 2227677 CCCSC1=C(N=C(O1)C2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 4.228 1 4 -9.64106813854523 2227674 C1=CC=C(C=C1)OCCNC(=O)C(=O)C2=CNC3=CC=CC=C32 1 2.849 2 3 -5.90241854494831 2227671 CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C)CC(=O)NC3=CC(=C(C=C3)C)Cl 1 3.125 6 2 0 -18.0645635315964 2227653 CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=C(C=CC(=C3)C)OC 1 3.304 2 5 0 -19.2660206129634 2227652 CC1=CC(=CC(=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)Cl)C 1 3.81 3 3 -12.860893289915 2227581 C1=CC=C(C=C1)C(=NOCC#N)C2=CC=NC=C2 1 1.92 3 1 0 -4.96167798704722 2227579 CCCOC(=S)NC(=O)C1=C(C2=CC=CC=C2S1)Cl 1 5.054 1 2 -9.78747233946065e-003 2227571 CCNC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl 1 3.12 1 2 -8.72627982056148 2227556 C1CSC2=C(S1)C(=O)N(C2=O)CCCO 1 -0.355 1 3 0 -1.98427455111549 2227544 CCCCOC(=O)CSC1=NN=C(S1)N 1 1.676 3 2 0 -14.5219387014334 2227542 CC1(CC2=CC(=C(C=C2C3=CC(=O)C(=O)N31)OC)OC)C 1 1.663 1 4 0 -5.66965224400062 2227443 CCCCOC(=S)NC(=O)C1=C(C2=CC=CC=C2S1)Cl 1 5.51 1 2 -1.37364228281548 2227372 CC1=CC(=NO1)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.048 3 4 0 -20.178005340082 2227367 C1=CC(=CC=C1NC(=O)C2=CC3=NC=CN=C3C=C2)SC(F)F 1 3.442 3 1 -4.39740135595562 2227364 C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54 1 3.606 1 5 -7.75115365573954 2227333 COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3C(=O)NC4=CN=CC=C4)OC 1 2.746 4 4 0 -3.48210064077084 2227323 CC(=O)NC1=CC=CC=C1C(=O)C(=O)NC2=CC=C(C=C2)Cl 1 2.285 2 3 -8.35259073977093 2227322 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.151 2 5 0 -17.0726255286828 2227269 C1CCC2=C(C1)C=CC(=C2)CC(=O)NC3=CC4=CC=CC=C4C=C3 1 5.071 1 1 -4.27247830830771 2227254 C1=CC(=C(C(=C1)Cl)CSCC(=O)NCC2=CC=CO2)F 1 3.073 1 2 -17.3786654387987 2227246 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.04 2 7 0 -24.5387514795539 2227244 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2SC 1 3.034 2 4 -13.6836804660186 2227233 CSC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCO3 1 2.924 1 3 -12.2045250282038 2227226 C1=CC=C(C=C1)OC(=O)C2=CC=CC3=C2N=CC=C3 1 3.448 1 2 -4.07744993704774 2227216 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 1.062 2 9 0 -22.0833108288455 2227184 CCOC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.7 2 4 -13.8156473627176 2227183 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 1.689 3 3 0 -5.35626780930503 2227168 C1CCN(CC1)C2=CC=C(C=C2)/C=C(/C#N)\C3=CC(=CC=C3)F 1 4.94 2 0 -3.80334259522413 2227167 CC(C)NC(=O)C1=CC(=O)N(C(=O)N1C)C 1 -0.436 3 3 0 -19.0556802469523 2227163 COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 1.871 2 7 0 -17.8085394854345 2227158 CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)N)N3CCCCC3 1 3.433 3 1 -3.29952654896833 2227153 CC1=NN=C(S1)NC(=O)CCSC2=CC=CC=C2 1 1.991 3 1 0 -12.4613288382105 2227150 CCOC1=CC=CC(=C1)CNCC2=CC=NC=C2 1 2.132 2 1 0.54570204586384 2227140 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=C(C=C3)C)C 1 4.496 3 6 0 -15.4849591486605 2227139 COC1=CC=C(C=C1)CC(=O)NCC2=NC(=NO2)C3=CC=CC=C3 1 2.223 3 3 -4.72309105657211 2227136 CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CO4)C 1 4.041 3 4 0 -0.360793496612468 2227134 C1CCCN(CC1)C2=CC=C(O2)/C=C(/C#N)\C3=CC(=CC=C3)F 1 4.916 2 1 -1.18299855657563 2227132 CN(C)C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N 1 -0.136 3 3 0 -9.20866431529901 2227128 CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=CC(=C4)C)CC5=CC=CC=C5 1 6.159 5 1 -2.01489224181063 2227113 C1=C(C(=CC(=C1F)F)Cl)C(=O)NCCOCC(C(F)F)(F)F 1 2.987 1 2 -9.53658628651069 2227105 COC1=C(C=C(C=C1)CCNC(=O)C2=C3N=CC=CN3N=C2)OC 1 1.183 4 3 0 -12.7239741271603 2227094 CN(C)C(=O)C1=CC=C(C=C1)N2C=NC3=CC=CC=C3C2=O 1 1.947 3 2 0 -10.6380913385591 2227086 C1=CC(=CC(=C1)Cl)C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 2.105 2 3 -6.35015935392833 2227071 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2 1 1.874 2 3 0 -11.0752775418347 2227058 CCOC(=O)C1CCN(CC1)C(=O)NC2=CC(=C(C=C2)OC)OC 1 1.795 2 5 0 -13.8366010217512 2227057 CC1=C(C2=CC=CC=C2N1CC(=O)NCC3=CC=CO3)C(=O)C 1 2.039 2 3 -15.7082016701162 2227042 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C(=O)OC3 1 3.327 1 4 -2.42671822596449 2227040 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CC=C3F 1 2.939 3 1 -3.52681218414805 2227035 CCOC1=CC=CC=C1C2=NN3C(=NN=C3S2)CC4=CC=CC=C4 1 3.745 4 1 -8.17867645654223 2227030 CS(=O)(=O)N(CC(=O)NC1=CN=CC=C1)C2=CC3=C(C=C2)OCO3 1 0.2 3 5 0 -14.1343284220732 2227004 C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)CC#N 1 4.422 2 2 0.228050768385364 2226993 CCC1=CC(=CC=C1)NC(=O)CSCC2=CC(=O)NN2 1 1.073 3 2 0 -11.1524692419325 2226989 CSC1=CC=CC=C1C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.931 1 3 -14.3530654953223 2226969 C1CN(CCC12OCCO2)C(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=CC=C5 1 2.899 4 3 0 -14.6962679027592 2226966 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=NC(=O)C4=CC=C(C=C4)F)C5=CC=CC=C53 1 3.5 5 2 0 -13.4652339067012 2226956 C1CCC(CC1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2 1 2.529 1 3 -13.7566790316374 2226955 CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)OC 1 2.902 4 4 0 -9.17013762444983 2226950 COC1=CC(=C(C=C1/C=C(/C#N)\C2=CC(=CC=C2)F)OC)N3CCCC3 1 4.451 2 2 -6.41219079075409 2226940 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC3=CC=C(C=C3)Br 1 2.856 3 2 -19.8285026389001 2226938 CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)N3)C 1 2.152 3 3 -8.84282723137553 2226935 CSC1=CC=CC=C1NC(=O)NC2=CC(=CC=C2)Cl 1 3.729 2 1 -6.28453396344428 2226842 C=CCNC(=O)CCCC1=CC=CC=C1 1 2.602 1 1 -14.065416471547 2226796 CN(C)CCCNC(=O)COC1=C(C=C(C=C1)Br)Cl 1 2.487 2 2 -6.90937703731935 2226770 COC1=CC=CC=C1OCCCOC2=CC=CC(=C2)/C=C\3/C(=O)NC(=O)S3 1 3.604 1 5 0.394765925805824 2226730 CSC1=N/C(=C\C2=C(C=CC=C2Cl)F)/C(=O)S1 1 4.278 1 1 -8.02639389969583 2226693 C1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)Cl 1 4.052 2 2 -8.90987611519388 2226678 CCOC(=O)N1CCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)Cl 1 2.701 2 4 -4.72111601807193 2226612 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)CCCC(=O)O)Cl)Cl 1 3.851 2 4 -16.0528536574198 2226532 CCOC(=O)C1=C(C2=C(S1)N3CC4=CC=CC=C4C3=NC2=O)C 1 3.221 2 3 -9.23564566109389 2226534 CCC1=CC=C(C=C1)N(CC(=O)NC2CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.501 2 3 -15.82301891817 2226536 C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NCCC3=CC=C(C=C3)Cl 1 3.786 2 2 -3.15896102507932 2226548 C1CCC(=CC1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 2.819 2 3 -17.4565389161054 2226542 CC(C)OCCCNC(=O)CN(C1=C(C=CC(=C1)[N+](=O)[O-])OC)S(=O)(=O)C 1 0.542 3 7 0 -24.1660235311126 2226541 C1=CC(=CC(=C1)Cl)NC(=O)C2=C3N=CC=CN3N=C2 1 1.552 4 1 0 -2.97647962451574 2226540 CCN1C2=C(C=C(C(=C2)C)S(=O)(=O)N3CCCCC3)N(C1=O)CC 1 2.322 3 3 -13.9558170061127 2226539 CCOCCC1=NN=C(S1)NC(=O)CC2=CC=C(C=C2)Br 1 2.466 3 2 -14.2889663132237 2226503 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=CS3)CC4=CC=CO4)C 1 4.629 2 3 -22.7004794728287 2226501 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=O)C=C(N2)N)OC 1 1.166 4 4 0 -22.6787761036139 2226500 CC(=O)OC1=CC=C(C=C1)NC(=O)CC2=CC=CC=C2 1 2.417 1 3 -7.56287175468569 2226494 CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.998 2 5 0 -10.6843813196952 2226479 COC1=CC=CC=C1C2=NOC(=N2)C3=CC=CC=C3C(=O)NC4=CC=CC=C4OC 1 3.897 3 4 0 -8.32493899620861 2226469 CCCN1C(=NN=C1SCC2=NC(=NO2)C3=CC=CS3)C4=CC=NC=C4 1 3.25 6 1 0 -7.7747009965913 2226442 CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)NC3=CC=CC(=C3)C 1 3.01 3 3 -6.42687058100198 2226440 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)N3CCOCC3 1 0.831 2 5 0 -19.8785689536188 2226431 C1=CC(=CC=C1NC(=O)C2=CC3=NC=CN=C3C=C2)OC(F)(F)F 1 4.198 3 2 -0.836626823456903 2226429 CCCN1C=C(C=N1)NC(=O)C2=NOC(=C2)C3=CC=CC=C3 1 2.829 4 2 -6.45716507600115 2226422 C1COCCN1CCNC(=O)CCSC2=CC=CC=C2 1 1.506 2 2 0 -13.0151068276264 2226419 C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC(=CC=C2)Br 1 5.005 2 1 -8.68545149281863 2226399 C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCCC3)NC(=O)C4=CC=CC=C4F 1 3.318 3 2 -10.5212260439501 2226384 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)NC(=O)C3=CC=CC=C3 1 2.858 3 2 -1.78515512698394 2226377 CCOCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.364 3 6 0 -13.680124232829 2226358 COC1=CC=CC=C1NC(=O)C2=CN=C(N=C2)SC 1 1.882 3 2 0 -6.50608101993576 2226351 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C3=CC(=CC=C3)OC 1 3.607 3 3 -1.62536963419986 2226307 CC(C)N(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)CSC3=CC=CC=C3 1 3.53 3 2 -4.57531595620418 2226306 CC(=O)NCCOC1=CC=CC2=CC=CC=C21 1 1.914 1 2 0 -5.33683749102237 2226303 CC1=CC(=CC=C1)NC(=O)CC2CCC2 1 2.896 1 1 -4.51132967911532 2226294 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)N4CCOCC4 1 2.369 3 4 0 -15.4293641911619 2226285 CSC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2Cl 1 3.53 1 2 -1.58556413477424 2226284 COC1=CC=CC(=C1OC)C(=O)N2C=NN=C2N 1 0.61 4 3 0 -5.39630926203423 2226248 CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)CC3=CC=CC=C3)OC 1 2.223 3 4 0 -7.48300022145906 2226242 CCOCCC(=O)NC1=C(C=CC(=C1)Cl)OC 1 1.931 1 3 0 -9.6193766318415 2226240 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)N(C)S(=O)(=O)C)C)C 1 3.678 3 5 0 -13.6050689661342 2226223 CSC1=NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCOCC3 1 1.802 2 3 0 -18.0004207183868 2226217 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC=CC=N2 1 0.597 3 3 0 -13.0415224363843 2226213 CCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=O)N2C)C 1 0.364 3 3 0 -13.2159708945261 2226212 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3)C)C 1 3.651 2 3 -9.61947334332101 2226199 COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)SC)OC 1 3.314 2 6 0 -3.01463615519086 2226190 COC1=CC=CC=C1NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4CC4 1 3.447 2 3 -15.1373088961245 2226189 C1COCCN1CC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC5=C(C=C4)OCO5 1 3.083 5 4 0 -16.5196894321784 2226185 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)NCC2=CC=CC=C2Cl 1 2.582 2 3 -17.7710814962751 2226166 C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2)N=CN3)OC(F)(F)F 1 4.25 3 2 -3.50089027876221 2226145 COC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5 1 4.963 4 3 0 -12.7665481049486 2226137 CC1=CC=C(C=C1)S(=O)(=O)NCC2=NC3=CC=CC=C3C(=O)N2N 1 1.25 4 3 0 -8.93862231977242 2226135 CCCNC(=O)CN(C1=CC(=C(C=C1)F)Cl)S(=O)(=O)C 1 1.749 2 3 0 -17.0424260280335 2226132 CN1C(=NN=C1SCCOC2=CC=C(C=C2)OC)CC(=O)NC3=C(C(=CC=C3)Cl)Cl 1 4.654 4 3 0 -11.8997386394288 2226129 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)NC(=O)CC4=CC=C(C=C4)Cl)Cl 1 5.526 1 3 -0.290158880132118 2226105 COC1=CC=CC=C1OCCOC2=CC=CC=C2C=NN3C=NN=C3 1 2.644 4 3 0 -1.66525361650014 2226089 CCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=CC(=C3)C(=O)O)C 1 2.675 4 3 0 1.97469826037672 2226076 CCOC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CS3)/C(=O)NC2=S 1 3.831 2 3 -1.58220337015083 2225978 CC1=CC=C(C=C1)OCCNC(=O)C2=CC=CC=C2F 1 3.361 1 2 -8.43223513765706 2225960 CC1=C(C=C(C=C1)OCCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C 1 3.593 1 5 -10.6176735690223 2225953 C1=CC=C2C=C(C(=CC2=C1)C(=O)NN=CC3=CC=C(O3)SC4=CC=CC=N4)O 1 4.376 3 3 -1.69708048280596 2225939 CCCCC(=O)NN=CC1=CC=C(O1)SC2=CC=CC3=C2N=CC=C3 1 4.422 3 2 -10.9924861228027 2225916 C1=CC=C2C(=C1)C=CC=C2CC(=O)NN=CC3=CC=C(O3)SC4=CC=CC5=C4N=CC=C5 1 5.451 3 2 -7.49896883886634 2225910 CC1=C(C=CC=C1Cl)NC(=O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F 1 2.197 3 4 0 -8.99269774334589 2225909 COC1=CC=CC=C1N2C(=O)/C(=C\C3=C4C=CC=C5C4=C(CC5)C=C3)/C(=O)NC2=O 1 4.139 2 4 1.00411468010035 2225901 CC1=CC=C(C=C1)C(=O)NCCOC2=CC=CC(=C2)OC 1 3.14 1 3 -7.47276363204649 2225884 C1=CC=C2C=C(C=CC2=C1)NC(=O)CSCC3=NC(=CC=C3)CSCC(=O)NC4=CC5=CC=CC=C5C=C4 1 5.296 3 2 -6.21754577112241 2225875 CCOC1=CC=CC=C1NC(=O)CC2=COC3=C2C=C(C=C3)C 1 3.771 1 3 -6.56821332669071 2225862 C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)Cl 1 5.432 1 1 -3.73138359138821 2225855 C1=CC=C(C=C1)OCCNS(=O)(=O)CC2=CC=CC=C2Cl 1 3.044 1 3 -3.9321617335076 2225853 CC1=CC=CC=C1OCCNC(=O)CNC(=O)C2=CC=CC=C2O 1 1.974 2 4 0 -9.38149728133527 2225831 COCCNC(=O)C1=CC=C(S1)C(=O)NCCOC 1 0.229 2 4 0 -10.6524627869531 2225828 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=NC=C3 1 2.126 3 5 0 -12.0540528339149 2225826 COC1=C(C=C(C=C1)CCNC(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C)OC 1 2.55 2 5 0 -17.7156290674827 2225812 CC(C)OCCCNC(=O)CC1=CC=C(C=C1)Br 1 2.479 1 2 -13.3624804716141 2225805 C1CCN(C1)C(=O)C(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4 1 3.694 2 2 -5.56806674809473 2225801 CN(C)S(=O)(=O)N(CC1=CC=C(C=C1)Br)C2=CC=CC=C2 1 2.869 2 2 -4.21095313995075 2225800 CCCCC(=O)NC(=S)NC1=C(C(=CC=C1)Cl)N2CCCCC2 1 5.425 3 1 -10.0944959213192 2225799 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCC3=CC=CC=C3C2 1 2.653 2 3 -16.383953560682 2225789 CCN(CC)C(=O)C(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.738 3 5 0 -21.1793556386517 2225787 COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C3=NC(=NO3)C4=CC=C(C=C4)F 1 4.119 3 3 1.65889764068733 2225777 COC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C 1 1.98 3 7 0 -10.9591523875026 2225766 CC1=C(C=CC=C1Cl)NC(=O)CSCC2=CC(=O)NN2 1 1.282 3 2 0 -10.7458754093432 2225752 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.83 3 4 0 -5.14128114013623 2225741 CCOC(=O)C(=O)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC 1 2.068 2 5 0 -9.16093417322754 2225729 COC1=CC(=C(C=C1)OC)NC(=O)CN2C=C(C3=C2C=CC(=C3)Br)C#N 1 3.56 3 3 -8.10817766195696 2225708 CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)OCC(=O)NCC3=CC=NC=C3 1 2.287 3 4 0 -11.3578343286948 2225699 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2OC)C 1 0.461 3 4 0 -13.7189437553091 2225688 C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(F)(F)F)CC3=CSC(=N3)N 1 3.317 6 1 0 -18.2497851202068 2225685 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)NC3=CC=CC=C3 1 2.514 2 4 -16.4812288067825 2225678 COC1=CC=CC(=C1)N2C(=O)/C(=C\C3=C4C=CC=C5C4=C(CC5)C=C3)/C(=O)NC2=O 1 4.139 2 4 2.30895385056665 2225645 CC1=C(C=CO1)C(=O)NC2=CC=CC=C2C(=O)O 1 1.493 1 4 0 -6.22213370171884 2225624 C1CC2=CC=CC3=C(C=CC1=C23)/C=C\4/C(=O)NC(=O)N(C4=O)C5=CC=CC=C5 1 4.156 2 3 2.1005346712658 2225604 C1COCCN1CCCNC(=O)C(=O)NCC2=CC=CO2 1 -0.619 3 4 0 -14.5228484919259 2225585 CCOC(=O)C(=C1C=C(OC(=C1)C)C)NC(=O)C2=CC=CC=C2 1 2.074 1 4 -7.25097047504568 2225580 C1OC2=C(O1)C=C(C=C2)CNC(=O)C(=O)NC3=CC=CC=C3 1 1.656 2 4 0 -11.006951136776 2225578 COC1=CC=C(C=C1)CC2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.708 3 4 0 -15.9848983760823 2225570 C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)Cl 1 3.159 2 2 -10.1260761581499 2225565 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=NC(=O)C4=CC=CS4)C5=CC=CC=C53 1 3.248 5 2 0 -14.9836155005949 2225560 CC1=C(C(=NO1)C)C(=O)NCCCN2CCCC2=O 1 -0.364 3 3 0 -25.6433540888663 2225555 C1=CC=C(C(=C1)OCC(=O)NCC2=CC=CC=N2)Br 1 2.269 2 2 -10.5076613743795 2225539 C1CC1C2=NN=C(S2)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl 1 3.84 3 2 -9.47862437990794 2225536 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCCCN3CCOCC3 1 2.343 3 3 -16.5254096136871 2225531 C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 3.164 2 3 -22.901979707871 2225516 CC1=NN(C=C1Br)CCCNC(=O)C2=CC=CC=C2OC 1 2.413 3 2 -11.5849118346578 2225503 C1=CC=NC(=C1)NC(=O)C2=CC=C(S2)Br 1 2.524 2 1 -1.84775233576423 2225496 CCCCC(=O)NC1=NC=C(S1)Br 1 2.094 2 1 -8.150510228488 2225491 C1CC(=O)N(C1)CCCNC(=O)COC2=CC=CC(=C2)C(F)(F)F 1 1.531 2 3 0 -19.3241990382798 2225490 CC1=CC(=C(C=C1)Cl)OCC(=O)NC2=NN=CS2 1 2.074 3 2 -8.04793122264701 2225486 CC1=C(SC(=N1)NC(=O)C2=C(ON=C2C)C)C(=O)OC 1 0.923 3 4 0 -14.9456427250441 2225480 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCC3(CC2)OCCO3 1 2.305 1 6 0 -13.8845934709061 2225476 CC1=C(OC2=CC=CC=C12)C(=O)NCC3=CC=CC=N3 1 2.767 2 2 -0.7975720519404 2225472 C1COCCN1CCCNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl 1 2.638 3 4 0 -6.70433691484716 2225470 C1COCCN1CCCNC(=O)C2=C(C=CC=C2F)F 1 1.337 2 2 0 -10.3500044849506 2225463 C1CC(=O)N(C1)CCCNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.571 2 2 -15.261420541643 2225455 CC1=CC(=C(C=C1)Cl)OCC(=O)NC2=C(C(=C(S2)C)C)C#N 1 3.897 2 2 -12.302708942138 2225453 COC(=O)C1=C(C=CS1)NC(=O)CC2=CC=C(C=C2)Br 1 3.206 1 3 -8.9279745718517 2225451 CC1=C(C(=NO1)C)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.335 4 4 0 -7.25361740567897 2225450 CCCCCCC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC2 1 3.317 2 2 -13.2885358589884 2225448 COC1=C(C=C(C=C1)Cl)NC(=O)NCCN2CCCCC2 1 2.65 3 2 -7.73380964354468 2225446 C1COCCN1C(=O)C2=CC=C(S2)Cl 1 1.344 1 2 0 -5.15998550528501 2225426 CC1=CC(=NO1)C(=O)NCCCN2CCCC2=O 1 -0.218 3 3 0 -27.7562862821126 2225424 C1CN(CCN1C(=O)COC2=CC=CC=C2Br)C(=O)C3=CC=CO3 1 2.104 2 4 -6.82720012174029 2225422 CCOC(=O)CNC(=O)C1=C(OC(=C1)C)C 1 0.488 1 4 0 -14.2383844975497 2225398 C1COCCN1CCCNC(=O)C2=CC=C(S2)Br 1 1.448 2 2 0 -8.45737483484142 2225391 COC1=CC2=C(C=C1)C(=C(S2)C(=O)NCC3=CC=CO3)Cl 1 3.604 1 3 -5.95088450111796 2225381 C1CC(=O)N(C1)CCCNC(=O)C2=CSC3=CC=CC=C32 1 1.615 2 2 0 -20.1153845034431 2225380 CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2CCN(CC2)C 1 2.704 2 2 -2.23261836650117 2225376 CN1CCN(CC1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl 1 2.51 3 2 -4.48030355065146e-002 2225369 C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC=CO3)C(=O)NC4CC4 1 3.789 2 3 -16.7067023003765 2225367 CCOC(=O)CNC(=O)C1=CC=C(S1)Cl 1 1.506 1 3 0 -7.49592391265517 2225360 CC1=CC=C(S1)C(=O)NCCCC2=CC=CC=C2 1 3.497 1 1 -8.09764222694749 2225348 CC(C)(C)CC(=O)NCCCN1CCOCC1 1 0.843 2 2 0 -12.7632058817606 2225343 CC1=CC(=C(C=C1)Cl)OCC(=O)NC2=CN=CC=C2 1 2.45 2 2 -4.58760761619643 2225340 CC1=C(C(=NO1)C)C(=O)NC2=NCCS2 1 0.984 3 2 0 -16.8630232977466 2225336 COC1=CC=CC=C1C(=O)NCCCN2CCCC2=O 1 0.737 2 3 0 -23.0684105270636 2225304 CCCNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C 1 2.004 3 3 -22.7626903535245 2225291 CCSC1=NN=C(S1)NC(=O)C2=C(ON=C2C)C 1 1.403 4 2 0 -20.2090675447657 2225290 C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=CC=C3Br 1 3.457 2 2 -2.24851084324185 2225281 CC1=CC(=CS1)C(=O)NCCCN2CCCC2=O 1 0.561 2 2 0 -22.9311296844594 2225277 CCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3 1 3.238 1 4 -7.72540953250994 2225266 CC1=CC(=NO1)C(=O)NCCCC2=CC=CC=C2 1 2.427 2 2 -15.1391215661488 2225263 COC(=O)C1=C(SC=C1)NC(=O)C2=C(SC=C2)NC(=O)OC 1 1.806 2 5 0 -9.86373372273056 2225255 C1CN(CCC12OCCO2)C(=O)CCCOC3=C(C=C(C=C3)Cl)Cl 1 3.042 1 4 -8.41802027699315 2225237 CC1=C(C(=NO1)C)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 0.53 3 4 0 -16.665789960528 2225215 C1CCCC2=C(CC1)C=C(S2)C(=O)NC3=NN=C(S3)C4CC4 1 4.356 3 1 -11.8521604421504 2225214 CC1=CC(=NN1CCCNC(=O)C2=NC=CN=C2)C(F)(F)F 1 1.042 5 1 0 -13.4904500182644 2225207 CC1=CC(=C(C=C1)Cl)OCC(=O)NN2CCN(CC2)C 1 1.695 3 2 0 -2.70016702359432 2225205 CN1CCN(CC1)NC(=O)C2=CC=C(S2)Br 1 1.23 3 1 0 -2.51805121142345 2225203 CCCCCCC(=O)NC1=NC=C(C=C1)Br 1 3.578 2 1 -10.9094278329718 2225201 CC1=C(C(=NO1)C)C(=O)NCCCC2=CC=CC=C2 1 2.281 2 2 -13.0261893729024 2225198 CCCCCCC(=O)NC1=NC=C(C=C1)Cl 1 3.494 2 1 -6.81957007784736 2225192 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=CC=CC=C3F 1 4.038 2 2 -12.6662346124966 2225184 C1CC(=O)N(C1)CCCNC(=O)C2=CC=CS2 1 0.707 2 2 0 -22.1516851844178 2225174 C1CN(CCN1C(=O)CC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3 1 1.816 2 3 0 -24.0916542431912 2225170 CC1=CC(=C(C=C1)Cl)OCC(=O)N2CCC3=CC=CC=C3C2 1 3.888 1 2 -8.88596366651722 2225169 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C#N)C 1 3.047 4 5 0 -24.9532146434592 2225166 C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(S3)Br 1 3.423 1 1 -10.2730303386606 2225158 CC(C)OCCCNC(=O)C1=CC=NC=C1 1 0.545 2 2 0 -12.7195827401807 2225156 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CN(N=C3)CC4=CC=C(C=C4)F 1 4.583 3 1 -13.7290253299255 2225152 CC1=C(OC2=CC=CC=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.909 2 4 -10.8485535487532 2225138 C1CN(CCC1NC(=O)CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3 1 2.661 3 3 -8.23455643411137 2225136 C1CC(=O)N(C1)CCCNC(=O)C2=CN=CC=C2 1 -0.397 3 2 0 -22.7610669307804 2225132 CC1=CC(=NO1)C(=O)NCCC2=CCCCC2 1 2.393 2 2 -16.6712123406863 2225123 COC(=O)NC1=C(C2=C(S1)CCC2)C(=O)NCC3=CC=CO3 1 2.28 2 4 -19.7786777990851 2225116 CN1CCN(CC1)NC(=O)COC2=CC=CC(=C2)C(F)(F)F 1 1.487 3 2 0 -0.108206770618601 2225106 CCOC(=O)CNC(=O)C1=CC=C(S1)Br 1 1.615 1 3 0 -10.7463977685317 2225105 CCC1=C(C=C(S1)C(=O)NCCCN2CCCC2=O)Br 1 2.268 2 2 -22.0339016584319 2225103 COC1=CC(=CC(=C1OC)OC)C(=O)NCCCN2CCCC2=O 1 0.705 2 5 0 -24.7461149701473 2225094 CC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)C)N3C(=O)CCCC3=O 1 3.658 1 4 -11.2430067214672 2225057 C1CCN(CC1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2 1 3.518 3 2 -12.9769497858694 2225054 CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2)C(F)(F)F 1 3.403 3 1 -9.603810983678 2225052 COCCCNC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C 1 0.161 2 4 0 -22.2072788926659 2225051 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC(=C3)O)Br 1 5.181 2 2 -5.15876718489981 2225035 CC1=CC=CC=C1COC2=CC=C(C=C2)C3=NN(N=N3)CC(=O)O 1 3.04 4 3 0 -3.30281459909627 2225018 C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=NC=C(C=C3)Br 1 3.02 4 2 -21.4597559094886 2225002 CS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCCO3 1 1.311 2 5 0 -14.1532838402261 2224977 CC1=CC=C(C=C1)C(=O)NCC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.102 2 2 -6.31644558833532 2224964 CS(=O)(=O)N(CC(=O)NCC1=CC=CO1)C2=CC=C(C=C2)OCC3=CC=CC=C3 1 2.339 2 5 0 -19.1108241298819 2224947 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC=CC(=O)N3 1 0.94 4 3 0 -14.5007811899201 2224938 CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl 1 2.291 6 1 0 -10.8358780260677 2224936 COC(=O)CCCC(=O)NC1=CC(=C(C=C1)Cl)Cl 1 2.806 1 3 -13.2028366789084 2224882 CC(C)(C)SCCNC(=O)C1=CC=CC=C1SC 1 3.125 1 1 -14.4778990730442 2224829 CC1=CC=CC=C1CNC(=O)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.669 2 4 -14.7473862319177 2224815 CN(C)C1=NC(=NC(=N1)N)CSC2=NNC(=N2)C3=CC=CC=C3 1 2.002 8 0 0 -2.97709966190117 2224813 CCOC(=O)CNC(=O)COC1=C(C=C(C=C1)Cl)Br 1 2.342 1 4 -9.22281921735941 2224804 CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)NCC=C)Cl)C 1 4.564 3 4 0 -17.8065677816319 2224793 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 1.324 2 3 0 -11.7737897334195 2224786 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CS2 1 2.876 4 3 0 -16.6019534920136 2224777 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OC 1 2.907 4 4 0 -15.1690105423905 2224761 CC1=CC(=CC(=C1)OCC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3)C 1 3.656 3 3 -17.6936570095795 2224760 C1CCC(CC1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3 1 3.495 4 1 -9.23684462874048 2224723 C1OC2=C(O1)C=C(C(=C2)COC3=CC=C(C=C3)C4=NNN=N4)Br 1 3.383 4 3 0 2.05831141064897 2224705 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)N2CCCC2 1 1.345 2 3 0 -8.74855094600435 2224699 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCOCC3 1 2.396 2 4 -10.7598455363019 2224694 CC1=CC=C(C=C1)N2C3=NC(=O)C=C(C3=C(N2)C)C 1 2.252 3 1 -5.8411918363477 2224678 CN(C1=CC=C(C=C1)C(=O)NCCCOC)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.646 2 5 0 -17.184939974394 2224677 C1CCC(C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)F 1 3.768 1 1 4.676765475252 2224676 CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)C3=CC=CS3 1 5.278 1 1 -4.34552353436339 2224675 CCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2 1 4.465 3 2 -14.8778458104066 2224665 CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCOCC3 1 2.202 2 3 -10.2330344483749 2224658 CN(C1=CC=C(C=C1)C(=O)NCCOC)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 1.568 2 6 0 -23.1274563241264 2224656 CC1=CSC(=N1)SCC(=O)NC2=CC=CC=N2 1 1.676 3 1 0 -13.7935260548532 2224644 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C 1 3.804 3 6 0 -7.82472985088957 2224621 CNC(=O)C1=CC2=C(C=CC(=C2)OC)OC1=O 1 1.051 1 4 0 -10.945203723953 2224615 CN(C1=CC=CC(=C1)NC(=O)NC2=CC(=CC=C2)Cl)S(=O)(=O)C 1 2.304 3 3 -4.82001158105571 2224614 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)Cl 1 3.81 3 3 -13.0700115520335 2224612 CCC1=C(N=C(N=C1N2C(=N2)SCC#N)N)C 1 1.904 6 0 0 -13.0782115130569 2224601 CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)OC(C)C)N 1 1.953 2 3 0 -9.17705615167034 2224585 CC1=CC=CC=C1C(=O)NCC(=O)NC2=CC=CC=C2OC 1 2.144 2 3 -17.5415814540994 2224568 CC1=NN=C(S1)SCC(=O)NC2=NN=C(S2)SCC=C 1 1.917 5 1 0 -23.4949569486296 2224563 CCOC(=O)C1=CC=C(C=C1)COC(=O)CCC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.603 1 5 -5.66766400198482 2224559 COC1=CC=CC=C1CNC(=O)C2=CC=CC=C2N 1 1.858 2 2 0 -9.96881559732253 2224556 CSC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NCC3=CC=CS3 1 2.725 5 1 -30.5500912308282 2224551 CC(C)OCCCNC(=O)C1=CC=CC=C1SC 1 2.237 1 2 -17.6323790259983 2224537 C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)NC3=CC(=CC=C3)Cl 1 3.095 2 3 -3.55802432494423 2224533 C1CC(C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)F 1 3.312 1 1 4.61131624835409 2224508 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C)C#N)C 1 4.051 4 3 0 -23.8991713819024 2224507 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)NCC2=CC=CC=N2 1 1.326 3 3 0 -15.6841552571762 2224493 CC(=O)C1=CC(=CC=C1)N(CC(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C 1 1.528 2 4 0 -15.1908960487083 2224487 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC=C)C2=CC=C(C=C2)F 1 2.389 2 4 -18.2369499349085 2224482 CC1=CSC(=N1)SCC(=O)NC2=NC3=CC=CC=C3S2 1 2.913 3 1 -11.9950067542541 2224451 CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3 1 2.832 5 2 0 -18.6692488606293 2224447 CCOCCSC1=NN=C2N1C(=CC(=N2)C)C 1 2.086 4 1 -13.6382815841675 2224442 CCOC1=C(C=CC(=C1)C(=O)N2CCOCC2)OCC3=CC=CC=C3 1 2.831 1 4 -12.3095674986386 2224441 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCCC3 1 2.514 2 4 -9.92930133063822 2224422 CCOC1=C(C=CC(=C1)/C=C(/C#N)\C2=CC=C(C=C2)F)OCC3=CC=C(O3)C(=O)O 1 4.863 1 5 -14.7473823210019 2224414 CCOC1=C(C=CC(=C1)C(=O)NCCOC)OC 1 1.223 1 4 0 -15.9970423152827 2224409 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)NC2=CC3=C(C=C2)OCO3 1 2.022 2 5 0 -12.617365569876 2224401 CCCCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2 1 2.854 2 3 -12.2327140380842 2224391 CCOC1=C(C=C(C=C1)S(=O)(=O)NCCOC)C 1 1.428 1 4 0 -8.42697323927392 2224385 CCCOC1=C(C=C(C=C1Br)C(=O)NCC)OC 1 2.975 1 3 -7.83566175627084 2224382 COCCCN1C(=CC=C1C2=CC=CS2)CCC(=O)O 1 2.815 1 3 -14.258275194553 2224379 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.192 3 5 0 -6.69231407942913 2224351 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)SC 1 1.979 2 3 0 -3.43415677809238 2224347 C1=CC=C(C=C1)N(CCC#N)C(=O)NC2=CC=C(C=C2)Cl 1 3.372 3 1 -4.87493426301131 2224345 COC1=CC=C(C=C1)C(=O)NNC(=O)CNC(=O)C2CCCCC2 1 1.377 3 4 0 -12.3214357096015 2224328 CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N=C3 1 4.512 3 1 2.98168634725163 2224327 C1CCC(CC1)NC(=O)CSC2=NC(=O)C3=C(N2)N=CN3 1 1.666 5 2 0 -17.0744562928644 2224325 C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)F 1 4.224 1 1 4.32229696108392 2224324 CC1=NN=C(S1)SCC(=O)C2=CC=C(C=C2)C(C)C 1 3.556 2 1 -10.9537946358889 2224311 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CO2 1 1.328 2 4 0 -10.7321948087679 2224305 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CS(=O)(=O)C3=CC=CC=C3 1 2.936 2 3 -5.53088653888207 2224301 CCCOC1=C(C=C(C=C1Cl)C(=O)NC)OC 1 2.542 1 3 -8.09133015466391 2224298 COC1=CC=CC=C1C2=CN(N=C2N)S(=O)(=O)C3=CC=C(C=C3)F 1 3.131 3 3 -3.14115936131416 2224296 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCCC2=CCCCC2 1 3.116 2 3 -20.7492299179707 2224295 C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC=CC=C2 1 4.009 3 1 -14.6122610437041 2224292 CCCN(CCC)C(=S)NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 5.711 2 1 -7.35210414704334 2224290 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)N2CCCCC2 1 1.801 2 3 0 -9.10301946017243 2224265 COC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 1.206 2 7 0 -16.6227610462995 2224251 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.04 2 5 0 -14.0626667234444 2224246 CC(=O)NC1=CC=CC=C1C(=O)OCC2=CC(=CC=C2)F 1 2.594 1 3 -8.9196564242706 2224245 C1CCC(CC1)C(=O)NCC(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.722 3 3 -8.94517642224811 2224243 COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3 1 3.389 2 3 -11.3775076732907 2224231 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)CN3N=C(N=N3)C4=CC=CC=C4F 1 1.448 6 3 0 -10.0361890935498 2224224 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)C3=CC(=C(C=C3)F)Cl 1 1.555 3 5 0 -20.468667570861 2224213 CCCCC1=C(NC(=NC1=O)NC2=CC=C(C=C2)OC)C 1 3.137 3 2 -7.89848680211045 2224206 C1CCC(C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)Cl 1 2.517 2 4 -20.745809103273 2224203 CN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl 1 5.957 4 1 -16.264590915531 2224200 CCCNC1=C(N(C(=O)NC1=O)C2=CC=CC=C2)N 1 0.658 4 2 0 -5.3356913246201 2224199 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)N(C)S(=O)(=O)C)C 1 3.678 3 5 0 -13.2279313928228 2224194 CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2=CC=CC=C2F 1 3.03 2 2 -11.4857568312821 2224147 CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])OC 1 3.559 3 4 0 -14.0146646646971 2224143 CCOC1=CC=CC=C1CNC2=NC3=NC4=C(CCC4)C(=O)N3N2 1 2.318 5 2 0 -8.71629969470652 2224112 C1=CC=C2C(=C1)C(=CN2CC(=O)O)/C=C(/C#N)\C3=CC=C(C=C3)F 1 3.841 2 2 -8.81432091031406 2224105 CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2C)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl 1 2.961 6 2 0 -20.5156558781927 2224095 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC2=CC=CC=C2N3CCN(CC3)C 1 4.249 3 2 -1.51681176613485 2224093 CNC(=O)C1=CC2=C(C(=CC=C2)CC=C)OC1=O 1 2.076 1 3 -14.480280217469 2224088 CC1=CC=C(C=C1)/C(=C\C2=CN(C3=CC=CC=C32)C)/C#N 1 4.64 2 0 -3.34604947667578 2224079 CC1=CSC(=N1)SCC(=O)N2CCCC2 1 1.378 2 1 0 -15.0882468062138 2224078 CC1=CC=CC=C1NC(=O)NCCN2CCN(CC2)C3=C(C=CC(=C3)Cl)OC 1 3.848 4 2 -6.06271915624131 2224066 CCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)OC 1 2.572 3 3 -10.8098254965668 2224061 CC12CN3CC(C1=O)(CN(C2)C34CCCCC4)C5=CC=CC=C5 1 3.038 2 1 -5.10910284342411 2224046 CC1=CC2=C(C=C1)N3C(=O)C(=CN=C3S2)NC(=O)C4=CC=CC=C4 1 2.958 3 2 -9.01191063410174 2224042 CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.554 3 4 0 -19.3040258147306 2223997 CC1=C(C=CC(=C1)OCC(=O)C2=CC=C(C=C2)Br)N3C(=O)CCC3=O 1 3.464 1 4 -10.4943611949567 2223984 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 1.632 3 5 0 -8.46302717678126 2223964 CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC 1 4.098 1 1 -9.487393598721 2223954 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C3=CC(=CC(=C3)OC)OC 1 3.59 3 4 0 -0.252603353295635 2223941 CCN(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C 1 2.746 2 3 -19.0491602134638 2223900 CC(C)NS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3)Cl 1 2.519 2 6 0 -19.251474562512 2223899 COC1=C(C=C(C=C1)NC(=S)NC2=NNC(=C2)C3=CC=CC=C3)Cl 1 5.335 4 1 -0.7680636726152 2223893 CCNC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2 1 1.709 2 4 0 -9.10660304396198 2223853 C1CCC(CC1)NC(=S)N2CCN(CC2)C3CCCCC3 1 4.867 3 0 -7.20197682440001 2223801 CC(C)N1N=C(N=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3F 1 4.004 4 1 0.983797940285187 2223800 CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC3=CC(=C(C=C3)Cl)Cl 1 5.108 4 1 -14.8125116271734 2223793 CN1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=CC=C(C=C3)Cl 1 3.233 3 2 -0.509903458899772 2223774 CC1=CC=C(C=C1)SCCNC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 2.451 2 5 0 -16.1512209710186 2223751 CCOC1=C(C=CC(=C1)CN2CCN(CC2)CCOCCO)OC 1 1.506 2 4 0 -2.00471190196019 2223738 C1=CSC(=C1)C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)F 1 2.178 3 2 -9.37480163486187 2223717 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCN(CC2)CCO 1 3.88 2 2 5.05906234367405 2223711 C1=CC(=CC(=C1)N/C=C/C(=O)C(F)(F)F)C(F)(F)F 1 3.399 1 1 0.924623233771332 2223644 C1=CC(=CC=C1N2C(=O)C(=C(C(=O)N2)Cl)Cl)Cl 1 2.175 2 2 1.77530348174947 2223617 COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)CCOCCO 1 1.141 2 5 0 -1.23185381289313 2223604 CCCCC1=CC=C(S1)C2C(=C(SC(=C2C#N)N)N)C#N 1 2.93 4 0 -2.33191376427843 2223584 COCCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 0.864 2 4 0 -12.7410548426994 2223577 COC1=C(C(=O)N(N=C1)CC=C)Cl 1 0.574 2 2 0 -5.4303708570421 2223565 CCCN1C(=O)C(=C(C=N1)OC)Cl 1 0.83 2 2 0 -2.52091257882481 2223546 COCCNC1=C(C(=O)N(N=C1)C2=CC=CC=C2)Cl 1 0.95 3 2 0 -4.49652300979289 2223519 CCCCNC1=C(C(=O)N(N=C1)C2=CC=CC=C2)Cl 1 2.41 3 1 -3.02682306118097 2223491 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.029 2 5 0 -15.5913555790604 2223490 CC1=CC=CC=C1CNC(=O)C2=CC=CC=C2SC 1 3.649 1 1 -13.9780012856985 2223459 COC1=CC=C(C=C1)C2=C(C3=C(N=CN=C3O2)N)C4=CC=CC=C4 1 3.658 3 2 6.374262674544 2223458 CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)O)CC3=CC=CC=C3 1 4.005 3 2 -14.0267446747478 2223441 C=CCSC1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3O2 1 3.249 4 2 -17.9598897642333 2223437 C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)NC4=CC=CC=C4 1 3.972 3 2 -12.0861106682527 2223423 COC1=CC(=CC(=C1OC)OC)C2=CN(N=C2N)S(=O)(=O)C3=CC=CC4=NSN=C43 1 3.021 5 5 0 -5.32942939359675 2223422 CCCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)N(C)C 1 1.711 4 4 0 -22.8995210307477 2223419 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCSC3CCCCC3)C 1 4.97 2 3 -12.9351738164485 2223407 C1=CC=C(C=C1)OC2=CC(=CC=C2)OCCNC(=O)C3=C(C=CC(=C3)N4C=NN=C4)Cl 1 4.041 4 3 0 -2.79540794069658 2223406 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 2.395 3 4 0 -14.5437730254193 2223404 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O 1 1.21 1 4 0 -11.1660185426752 2223398 CC1=NC2=C(C=NN2C(=C1)C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 3.834 3 1 -1.30486992304725 2223394 CC1=CC(=C(C=C1)N(CC2=CC=CC=C2F)S(=O)(=O)C)C 1 3.708 1 2 -5.31751395982467 2223390 CC1=C(C=CC(=C1)N(CC(=O)NC(C)C)S(=O)(=O)C)Br 1 1.967 2 3 0 -17.8823380730283 2223389 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)N2CCOCC2 1 0.571 2 4 0 -10.671315909948 2223368 CS(=O)(=O)NC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC=C3 1 1.784 3 3 0 -7.94810873309694 2223365 CC1=CC(=C2C(=C1)OC=C2CC(=O)N(CCC#N)CC3=CN=CC=C3)C 1 2.966 3 2 -11.8915857120408 2223360 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2Br 1 3.319 3 3 -13.123870908948 2223358 CC1=NC2=CC(=NN2C(=C1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC 1 4.246 3 2 -1.33960790510462 2223353 CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NS(=O)(=O)C 1 2.018 2 3 -13.1612692165511 2223348 CN1C(=NN=C1SCCOC2=CC=C(C=C2)OC)CCNC(=O)C3=CC=C(C=C3)OC 1 3.315 4 4 0 -15.7993756605514 2223337 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC2=CC=CC=C2F 1 1.297 2 5 0 -16.9317555469004 2223334 COCCCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C 1 -0.12 2 4 0 -14.5531284626489 2223306 CC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.224 2 5 0 -21.2755581919783 2223282 CC1=CC(=C(C=C1)OCC(=O)C2=CC=C(C=C2)Cl)N3C(=O)CCCC3=O 1 3.836 1 4 -8.7745933386705 2223265 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC=NN2 1 0.43 5 2 0 -15.5593326479888 2223263 C1=CC=C(C=C1)CC2=NN=C(O2)SCC3=CC=CC=C3 1 3.83 2 1 -14.7072181636644 2223257 CC1CCN(CC1)C(=O)CNC(=O)CC2=CC=CC=C2 1 1.507 2 2 0 -16.3569975319959 2223247 CC1=CC=C(C=C1)NC(=S)NNC(=S)NC2CCCCC2 1 5.167 4 0 -6.67108210674288 2223246 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)C 1 6.079 2 3 -5.27074322252109 2223242 C1=CC=C(C(=C1)N2C(=NN=N2)SCC(=O)N)Cl 1 1.318 5 1 0 -19.8001251279975 2223235 CC1=C(OC2=CC=CC=C12)C(=O)OC3=CC=CC4=C3N=CC=C4 1 4.529 1 3 -0.36221443316331 2223231 CC1CCC(CC1)NC(=O)C(=O)NC2=CC3=C(C=C2)OCO3 1 2.182 2 4 -14.365085067533 2223214 C1CCN(CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4 1 6.324 3 2 -8.3826361211599 2223206 CCC1=NC(=NN1)SCC2=CC=C(C=C2)F 1 3.369 3 0 -3.80408040752326 2223185 C1CCC(CC1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.765 2 4 -21.4155941555669 2223181 COC(=O)C1=C(C=CS1)NC(=O)COC2=C(C=C(C=C2)F)Cl 1 3.128 1 4 -8.54151808195595 2223179 CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(O3)C4=CC=CO4 1 1.414 5 5 0 -22.5492870872175 2223170 CCCOC1=C(C=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C)C 1 2.732 2 3 -7.06695748828909 2223163 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=NN=C(S3)SCC(=O)N 1 1.962 6 2 0 -17.3145273221197 2223161 COCCCN1C(=CC=C1C2=CC=C(C=C2)F)CCC(=O)O 1 3.067 1 3 -10.1026522241452 2223155 CC1=CSC(=N1)SCC(=O)NC2=CC=CC3=NSN=C32 1 2.415 4 1 -14.6359172530153 2223146 CN(C1=CC=C(C=C1)C(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.148 3 4 0 -14.1613576543671 2223138 CN(C)S(=O)(=O)N(CC(=O)NCCSCC1=CC=CC=C1)C2=CC=CC=C2 1 1.795 3 3 0 -18.0893416389208 2223132 C=CCSC1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2 1 3.239 5 1 -17.4531465783957 2223129 CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.812 3 3 -12.2524397227907 2223120 CCC(=O)NC1=C(C=C(C(=C1)C(C)C)O)C 1 3.055 1 2 -4.60315542844512 2223113 CC1=CC=C(O1)C(=O)CCNC2=CC(=CC=C2)Br 1 3.431 1 2 0.917068358287109 2223099 C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4 1 4.973 2 3 -6.4706185345589 2223098 CCNC(=O)CCC(=O)NC1=C(C=CC(=C1)Cl)C 1 1.873 2 2 0 -10.9354921361278 2223097 CCSC1=NN=NN1C2=CC=CC=C2 1 2.149 4 0 -13.8484874233583 2223096 CC1=C(C=C(O1)C(=O)NC2=CC=C(C=C2)C(=O)O)COC3=CC=CC=C3 1 3.352 1 5 -5.51860487552018 2223086 C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.962 3 4 0 -9.16001520032532 2223043 CC1=C(C=CO1)C(=O)NNC(=O)C2=CC=CC=C2F 1 1.326 2 3 0 -6.43536204351555 2222994 CC(C)C1=CC=C(C=C1)CNC(=O)CSCC(=O)NC2=CC3=CC=CC=C3C=C2 1 4.177 2 2 -10.1457868079494 2222974 CC1=CC=C(C=C1)C(=O)NCCOC2=CC=C(C=C2)OC 1 3.14 1 3 -7.02843447606997 2222949 CC1=CC=C(C=C1)C(=O)NCCOC2=CC=C(C=C2)C 1 3.642 1 2 -7.29651063794382 2222938 COC1=CC(=C(C=C1)OC)C=NNC(=O)CCCC(=O)NC2=CC(=CC=C2)Br 1 3.191 3 4 0 -10.0259912876824 2222926 CCCCOC1=CC=C(C=C1)C(=O)NCCOC2=CC=CC(=C2)OC 1 3.966 1 4 -9.20912033669117 2222919 COC1=C(C=C(C=C1)C=NNC(=O)CSCC(=O)NC2=CC=CC=C2)OC 1 2.103 3 4 0 -13.6633383127744 2222912 COC1=CC=CC=C1OCCNC(=O)NC2=CC=C(C=C2)Br 1 3.31 2 3 -9.15345897077524 2222909 CCOC1=CC=CC=C1NC(=O)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.176 4 5 0 -12.873798764874 2222870 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCOC2=CC=CC=C2OC 1 4.054 1 3 -7.51410181604986 2222837 C1=CC=C(C=C1)C2=CN=C(N2)SCC(=O)NC3=CC=CC=C3 1 3.246 3 1 -4.15033750332495 2222830 CC1=CC=CC=C1NC(=O)C(=O)NCCCN2CCOCC2 1 0.679 3 3 0 -15.0758068601689 2222828 C1=CC=C(C=C1)NC(=O)CSCC2=NC(=CC=C2)CSCC(=O)NC3=CC=CC=C3 1 3.479 3 2 -8.44514361747615 2222798 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NN=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5 1 5.199 7 1 0 -4.5041131646114 2222788 CC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)OC 1 2.864 2 3 -5.22562273473839 2222725 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)Br 1 4.17 2 2 -5.72844099250822 2222720 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC=CC=C3C4=CC=CC=C4C(=O)O 1 5.281 1 3 -0.685946385890971 2222662 C1OC2=C(O1)C=C(C=C2)/C=C/C=NNC(=O)C3=CC=C(C=C3)F 1 3.017 2 3 -0.88334891411871 2222655 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3)C#N)C 1 3.531 4 4 0 -33.1352249611948 2222618 CS(=O)(=O)N(CC(=O)N1CCC2=CC=CC=C2C1)C3=CC4=C(C=C3)OCO4 1 1.639 2 5 0 -17.3872006014067 2222616 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=N3 1 2.495 3 4 0 -14.3614463342619 2222608 CSC1=CC=CC(=C1)NC(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.796 2 3 -7.55831615537935 2222600 COCCCNC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2 1 1.292 2 5 0 -14.2844217134081 2222590 C1=CC(=CC(=C1)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl)C(=O)O 1 6.309 2 2 -1.96351057192465 2222572 CCN(CC)C(=O)CN(C1=CC(=C(C=C1)F)Cl)S(=O)(=O)C 1 1.78 2 3 0 -13.1161004350934 2222564 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCCC3 1 2.514 2 4 -6.42267653909386 2222560 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2CCCC2 1 2.191 2 3 -15.6326206247541 2222534 CC1=CC(=O)N=C2C1=CNN2CC3=CC=CC=C3 1 1.259 3 1 0 -1.90539033781001 2222528 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NS2)SC 1 3.145 3 3 -14.5216288637768 2222525 CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)N3CCCCC3)C(=O)C 1 2.517 3 3 -20.2272488429184 2222479 CCCNC(=O)CN(CCC1=CC=CC=C1)S(=O)(=O)C 1 1.207 2 3 0 -18.0338329587954 2222492 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)Cl 1 2.067 2 5 0 -13.7078522267992 2222484 CCN1C(=NN=C1SCCOC2=CC=C(C=C2)OC)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl 1 5.009 4 3 0 -15.0568004629462 2222480 CCC1=C(N=C(N=C1N2C(=N2)SCC(=O)N)N)C 1 1.027 6 1 0 -13.9946281179415 2222467 CN1C=NN=C1SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F 1 2.269 5 1 -12.8817728797593 2222461 CC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)NC4=CC=CC=C4C 1 4.362 2 3 -14.6905567295989 2222458 CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=N2)N)C3=CC=CC=C3OC 1 3.412 3 3 -3.85303638677941 2222453 C1=CC=C(C=C1)C2=C3N=CC(=C(N3N=C2C4=CC=CC=C4)N)C#N 1 3.239 5 0 -1.90089722724426 2222433 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)COC2=CC=C(C=C2)C=O 1 3.151 1 3 -8.72137838148434 2222432 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 1.01 4 5 0 -12.4463521187809 2222394 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(S3)N 1 1.052 4 3 0 -18.4767255941 2222390 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CS(=O)(=O)C3=CC=CC=C3 1 1.085 3 4 0 -20.779225123655 2222388 C1CCC(=CC1)CCNC(=O)C(=O)NCCC2=CC=C(C=C2)Cl 1 3.624 2 2 -8.01224733773712 2222386 CCCOC1=C(C=C(C(=C1)C)S(=O)(=O)N2C=CC(=N2)C)C 1 3.742 2 3 -4.01172880546271 2222383 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCCC3)C 1 3.567 5 3 0 -11.7235595484859 2222377 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NCC3=CN=CC=C3 1 2.57 3 4 0 -6.88757574873803 2222374 CC1=NN=C(O1)SCC(=O)C2=CC=C(C=C2)NC(=O)C 1 0.924 3 3 0 -15.772152507401 2222369 CCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 3.259 3 3 -24.4775175110223 2222367 CCCOC1=C(C=C(C(=C1)C)S(=O)(=O)N2C3=CC=CC=C3N=N2)C 1 4.62 3 3 -4.02791904472823 2222346 CC1=CSC(=N1)SCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.073 2 3 -18.4286274041558 2222341 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 3.854 3 4 0 -17.2349012277418 2222335 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)NCC2=CC=CO2 1 1.443 2 4 0 -15.632888338271 2222315 CC(C)C(=O)C1=CC2=C(C=C1NC(=O)NC3=CC=CC4=CC=CC=C43)OCCO2 1 4.086 2 4 -10.3000704928867 2222303 CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.62 2 1 -6.04036990212009 2222298 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC=C 1 2.31 2 5 0 -13.7520850554341 2222291 CSC1=CC=C(C=C1)S(=O)(=O)NC2CC2 1 1.772 1 2 0 -5.0111975540897 2222290 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)Br 1 2.568 2 4 -24.8318524529005 2222286 C1=CC(=C(C(=C1)Cl)Cl)OCCNC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 3.809 4 2 -3.41144018989771 2222284 CC1=CSC(=N1)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.38 4 2 0 -25.5088025059869 2222282 C1COCCN1C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2 1 2.289 3 3 -14.545246235645 2222265 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=CC=CC=C2 1 2.372 2 3 -18.8033185843788 2222264 CCCCCNS(=O)(=O)C1=C(C=CC(=C1)C)OC 1 2.995 1 3 -8.83046701705335 2222257 CCC(=O)NC1=NON=C1C2=NC3=CC=CC=C3N2CC4=CC=CC=C4 1 3.619 5 2 0 -7.82479115398059 2222244 CS(=O)(=O)NCCSC1=NN=NN1C2=CC=CC=C2 1 0.783 5 2 0 -18.2173283952065 2222226 C1CCC(=CC1)CCNC(=O)C(=O)NCC2=CC=CC=C2Cl 1 3.303 2 2 -14.0356202980329 2222217 CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCOC)Cl)C 1 3.031 2 4 -12.0787476108499 2222207 C1=CC=C(C(=C1)C2=NN(N=N2)CC3=CC=C(C=C3)C4=NNN=N4)Cl 1 3.222 8 0 0 2.90485142872643 2222200 CC1=CC=CC=C1NC(=O)NCCCN2CCN(CC2)C 1 1.59 4 1 0 -8.1157253797369 2222168 C1CCC(CC1)N2CCN(CC2)C(=S)NC(=O)C3=CC=CC=C3 1 4.263 3 1 -9.49467150347234 2222160 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)Br 1 2.697 3 2 -2.32791138140121 2222143 CCOC1=C(C(=CC(=C1)C(=O)NC)Br)OC 1 2.102 1 3 -9.56804687739462 2222135 CC1=NN=C(S1)NC(=O)CSC2=NN=NN2CC3=CC=CC=C3 1 1.178 7 1 0 -29.6388471899411 2222131 CN(C)S(=O)(=O)N(CC(=O)NC1=CC(=C(C=C1)F)F)C2=CC=CC=C2 1 1.585 3 3 0 -10.6836939149968 2222115 COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2 1 3.101 3 3 -15.7525870489293 2222112 CC(C)NS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N)Cl 1 0.969 2 4 0 -16.0692649888935 2222075 CSC1=NSC(=N1)SCC2=CC=C(C=C2)F 1 4.093 2 0 -3.165054873156 2222071 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC 1 2.27 2 4 -16.0570965070685 2222060 C1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)COC3=CC=CC=C3 1 3.303 2 3 -13.5915236483117 2222059 CSC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 1.961 2 4 0 -9.46271382029981 2222041 CCN(CC(=O)N1CCN(CC1)C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.183 3 3 0 -9.87048155153837 2222005 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CN(C3=CC=CC=C3)S(=O)(=O)N(C)C 1 2.583 4 3 0 -6.09407828299797 2222002 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CC3=CC=CC=C3C=C2 1 2.434 2 3 -5.71778698972374 2221997 COC1=CC=CC(=C1)N2C(=NN=N2)S(=O)(=O)C 1 0.768 4 3 0 -12.605750150347 2221983 CC1=CSC(=N1)NC(=O)CSC2=NC(=CS2)C 1 1.567 3 1 0 -14.5704366671962 2221982 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)NC2CCCC2 1 1.878 2 4 0 -12.2419872538405 2221974 CCCN(CC1=CC2=C(C(=CC=C2)C)NC1=O)S(=O)(=O)C 1 1.695 2 3 0 -9.0828697925804 2221971 CCCOC1=C(C=C(C(=C1)C)S(=O)(=O)N2CCOCC2)C 1 2.463 1 4 -9.59827376609062 2221969 CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC(C)C 1 2.406 3 3 -17.9325910622488 2221968 C1=COC(=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)F 1 1.275 2 3 0 -9.7871435775654 2221959 COC1=CC(=C(C=C1)OC)NC(=O)CN2C(=CC=C2C3=CC=CC=C3)CCC(=O)O 1 3.533 2 5 0 -12.3795514622594 2221957 C1=CC=C(C=C1)OCC2=NN=C(O2)SCC3=CC=CC(=C3)C(=O)O 1 3.261 2 4 -15.9705260156673 2221948 COC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)Br 1 3.056 1 3 -4.08134486033757 2221936 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)OC 1 2.22 2 5 0 -19.7781130233922 2221935 C1CCC(CC1)C(=O)NCC(=O)NNC(=O)C2=CC=CC=C2Br 1 2.141 3 3 -12.37242828118 2221911 CC(C)(C)C1=CC(=C(C=C1)OCCON2C(=O)CCC2=O)Cl 1 2.956 1 4 -2.75969833428221 2221903 CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=CC=C3F 1 2.929 4 2 -17.9147772930914 2221901 C1=CC=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O 1 1.77 2 5 0 -17.6631197644014 2221899 CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)CNC(=O)CC3=CC=C(C=C3)OC 1 2.328 5 3 0 -19.0084224099955 2221887 CN1C(=NN=C1SCCOC2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)OC 1 3.325 4 3 0 -12.0866799731809 2221886 CC1=CC(=NC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C 1 3.102 3 3 -11.41537545454 2221871 CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Br 1 5.356 3 2 -2.48126855043553 2221852 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3CCCC3 1 3.711 2 2 -9.18187160139627 2221829 CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3 1 3.602 2 4 -9.67987548651676 2221813 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC=C2Cl 1 2.396 2 3 -12.6204878099482 2221811 C1CCCN(CC1)C(=O)CNC(=O)CC2=CC=CC=C2 1 1.711 2 2 0 -13.6678879280915 2221795 CC1(C([N+](=O)C=C(N1[O-])C2=C(C=CC(=C2)OC)OC)(C)C)C 1 1.123 2 4 0 -0.589866430782076 2221794 C1=CC=C(C=C1)OC2=CC=C(C=C2)N(CC(=O)N)S(=O)(=O)C3=CC=CC=C3 1 2.937 2 4 -8.02391730234872 2221780 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4 1 1.819 3 4 0 -11.9094531533016 2221777 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C 1 1.471 2 4 0 -15.0370645258108 2221770 C1CCC(C1)NC(=O)C2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 3.478 2 3 -23.562132302651 2221764 CCC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4 1 3.939 2 5 0 -18.9102887425237 2221761 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CO3 1 2.484 1 5 -18.8616906945566 2221758 C1CC(=O)N(C1=O)OCCOC2=CC=C(C3=CC=CC=C32)Cl 1 2.464 1 4 -4.60178355579658 2221749 CCOC1=CC=CC=C1NC(=O)CNC(=O)CC2=CC=CC=C2 1 2.041 2 3 -16.0154678399341 2221714 C1=CC(=CC=C1COC(=O)C2=NC=CN=C2)C(=O)OC3=CC=C(C=C3)Cl 1 3.492 2 4 -8.3984742046782 2221702 CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3 1 2.842 2 4 -8.87638321416894 2221700 CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)CC3=CC=C(C=C3)OC 1 3.467 4 3 0 -17.6847896907221 2221657 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)C4=NC=C(C=C4)Cl)[N+](=O)[O-] 1 3.294 3 4 0 0.221354580063825 2221650 CN(C)C(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.282 2 3 -18.8479805463904 2221646 C=CCC1=C(C(=CC=C1)Cl)OCCON2C(=O)CCC2=O 1 2.564 1 4 -8.07404576047164 2221637 C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=CO3 1 2.736 4 3 0 -20.0549549499969 2221618 C1CCN(CC1)C(=O)CNC(=O)CC2=CC=CC=C2 1 1.255 2 2 0 -13.6678879280915 2221617 CN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC 1 3.084 4 3 0 -14.7223866826244 2221614 CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.415 2 5 0 -13.6103037445947 2221608 CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NCCS3 1 2.463 3 3 -17.9431521585987 2221601 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC=CC=C2F 1 3.586 0 4 -13.2050450096195 2221592 C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)O 1 2.86 2 4 -4.04047763530696 2221584 CC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O 1 1.698 2 6 0 -16.3199462152849 2221574 C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O 1 2.732 2 5 0 -7.75649507025332 2221556 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=CO3 1 3.074 2 3 -12.3032132339095 2221530 C1CC2=C(C1)C=C(C=C2)OCCON3C(=O)CCC3=O 1 1.948 1 4 0 -8.21177103586632 2221525 CC(=O)OCCN1C(=O)C2=C(C1=O)N=CC=C2 1 -2.1e-002 2 4 0 -5.38556701009501 2221501 CCCOC1=CC=CC=C1C2C(=CN(C=C2C(=O)OC)C(C)C)C(=O)OC 1 2.962 1 5 -13.6383122748083 2221477 CC1=CC(=C(C=C1)OCCON2C(=O)CCC2=O)OC 1 1.361 1 5 0 -9.42654680961391 2221462 CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N=C3 1 3.146 4 2 -9.30613899275078e-002 2221444 C1CC(=O)N(C1=O)OCCCOC2=CC=CC=C2 1 0.954 1 4 0 -6.02194997956262 2221442 CCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 1.637 4 3 0 -20.2696169444482 2221437 CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)CCCOC3=C(C=C(C=C3)Cl)Cl 1 5.332 4 2 -11.1675588327134 2221411 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)C(=O)OCC4=CC=C(C=C4)C(=O)C5=CC=CC=C5 1 5.897 2 4 -2.059411071348 2221407 CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 3.007 2 3 -9.50181431763194 2221405 CN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3F 1 3.305 4 2 -16.4202848977052 2221404 CCNC(=O)CN(C1=CC=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.492 2 4 -14.3654639376082 2221403 C1CC2=C(C1)C=C(C=C2)OCCCON3C(=O)CCC3=O 1 2.011 1 4 -7.34971131448471 2221402 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=NC=CN=C3 1 2.8 2 3 -7.80290498766851 2221391 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)COC(=O)CNC(=O)CNS(=O)(=O)C3=CC=CC=C3 1 2.495 2 6 0 -18.5960326196132 2221383 C1CC(=O)N(C1=O)OCCOC2=CC=CC=C2 1 0.891 1 4 0 -6.88400970094423 2221377 COC1=CC(=C(C=C1)OCCON2C(=O)CCC2=O)CC=C 1 1.883 1 5 0 -8.91255503275027 2221371 CCC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)OCC 1 1.24 3 4 0 -9.00518909125248 2221364 C1=CC=C(C=C1)C(=O)NNC(=O)CSCC2=CC=CC=C2Cl 1 2.936 2 2 -13.3805780227117 2221359 CC1=CC(=C(C(=C1)Br)OCCCON2C(=O)CCC2=O)C 1 2.674 1 4 -2.85815579541955 2221358 C1CC(=O)N(C1=O)OCCCOC2=C(C=C(C=C2)Br)Cl 1 2.366 1 4 -3.51910605329325 2221356 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 2.519 3 3 -8.21259551392934 2221349 CCCNC(=O)NCC1=CC=C(C=C1)N2CCCC2=O 1 1.407 3 2 0 -19.5892398971312 2221323 CC1=CC(=C(C=C1)OCCCON2C(=O)CCC2=O)OC 1 1.423 1 5 0 -8.5644870882323 2221315 C1CC(=O)N(C1=O)OCCCCOC2=CC=CC=C2 1 1.534 1 4 0 -5.57844298930956 2221314 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCOCC3 1 2.202 2 3 -10.2920311908295 2221286 C1CN(CCN1C(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4)S(=O)(=O)C5=CC=CS5 1 3.261 4 3 0 -14.4093383243887 2221285 COCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CN=CC=C3 1 2.638 3 2 -9.23118977264058 2221283 CC1=CC=CC2=C1N=C(C=C2C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)C5=CC(=CC=C5)Br 1 4.888 3 3 -1.6001652898059 2221275 CCOC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCOCC4 1 3.397 2 3 -11.2175034972975 2221262 CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)N4CCCC4)C 1 4.088 3 1 -3.04215451706467 2221252 C1CC(=O)N(C1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5 1 2.655 3 4 0 -22.3661543398783 2221235 CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4 1 1.898 4 3 0 -12.4662016695684 2221228 C1=CC2=C(C=C1Cl)C(=CC(=N2)C3=CC=NC=C3)C(=O)NC4=NN=CS4 1 2.735 5 1 -4.10800398155453 2221204 CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCC4=CC=CC=C4C3)C5=CC=CC=C5 1 5.521 2 1 -5.70340396839269 2221195 C1CC(=O)N(C1)CCCNC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4 1 2.401 4 2 -19.1704125752721 2221194 CCOC(=O)CNC(=O)C1=CC(=NC2=C1C=CC(=C2C)Cl)C3=CC=CC=N3 1 3.655 3 3 -9.05106756962498 2221186 C1=CC=NC(=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=NC=CS4 1 3.687 4 1 -5.64579576465504 2221144 C1=CSC(=C1)CC2C(=O)NC(=O)NC2=O 1 0.435 2 3 0 -9.35235157009744 2221138 CC1=CC(=NOS(=O)(=O)C2=CC=CC=C2)C(=CC1=O)C(C)C 1 3.7 1 4 -0.559296227129076 2221136 C1=CC=C(C=C1)C2(C(=O)NC(=O)NC2=O)CCC3=CC=NC=C3 1 1.658 3 3 0 -4.70227842013779 2221133 CC1=CC(=O)C=C(C1=NOS(=O)(=O)C2=CC=CC=C2)C 1 2.992 1 4 1.58086270381346 2221005 CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NN4CCN(CC4)C 1 3.839 4 2 9.47388349090957e-002 2220997 CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NCCCN4CCOCC4 1 4.696 3 2 -6.44298971663451 2220993 CC1=CC(=NO1)NC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CC=CC=N4 1 3.828 4 2 -12.8001424032881 2220968 CC1=CC=NN1CCCNC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC=CC=N4 1 4.106 5 1 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2219815 C1CC(=O)N(C1=O)CCCC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 2.226 2 3 -13.817654559177 2219814 C1CC(=O)N(C1=O)CCCC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 1.561 2 3 0 -9.33441671593827 2219810 CC1=C(C=CC(=C1)Cl)NC(=O)CCCN2C(=O)CCC2=O 1 1.769 2 3 0 -13.7294151802106 2219801 CC1=CC=C(C=C1)SCC2=NC(=NO2)C3=CC=NC=C3 1 2.874 3 1 5.22933238414849 2219800 CC1=CC=C(C=C1)SCC(=O)N(CC2=NC(=NO2)C3=CC=CC=C3)C(C)C 1 4.016 3 2 -3.35911926883981 2219797 CC1=CC=C(C=C1)SCC(=O)NCCCC2=CC=CC=C2 1 4.278 1 1 -10.0231345739336 2219795 CC1=CC=C(C=C1)SCC(=O)NCCCN2CCOCC2 1 1.806 2 2 0 -11.177172381287 2219744 CCC1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)C=O 1 4.209 0 3 -2.56846168205485 2219714 COC1=C(C=CC(=C1)C=O)OCCSC2=CC=C(C=C2)Cl 1 4.411 0 3 -3.9882952164024 2219687 CCCCNC1=C(N=C(O1)C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3 1 4.539 2 4 -7.55140536314423 2219684 C1COCCN1CCCNC2=C(N=C(O2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.986 3 4 0 -6.29948440068372 2219681 CN(C)CCCNC1=C(N=C(O1)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)F 1 4.298 3 3 -3.53483887950532 2219678 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3Cl)NCCCN4CCOCC4 1 4.266 3 4 0 -6.48757075182415 2219675 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CS3)NCCOC 1 3.536 2 4 -12.8174320766421 2219674 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CS3)NCCCOC 1 3.598 2 4 -12.6967706072535 2219672 C=CCNC1=C(N=C(O1)C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3 1 3.797 2 3 -14.5997146993444 2219670 CCCCNC1=C(N=C(O1)C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3 1 4.509 2 3 -12.3411359937911 2219668 C=CCNC1=C(N=C(O1)C2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 3.239 2 4 -13.0500639984234 2219645 CC1=CC=CC(=C1)C2=NC(=C(O2)NCCCN3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)F 1 3.807 3 4 0 -2.71705071184264 2219641 C1COCCN1CCCNC2=C(N=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.116 3 4 0 -7.99858158523771 2219634 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=CC(=C(C=C4)O)C(=O)O)C=CC=C3C1=O 1 2.123 2 6 0 -6.14884629376291 2219625 C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)CC4=CC=CO4)CC(=O)NC5=CC=CC=C5 1 3.547 3 4 0 -16.7201850987127 2219624 COCCN1C(=O)C2=C(N(C1=O)CC(=O)N)SC3=C2CCCC3 1 0.869 3 4 0 -16.0871996661814 2219623 CCN1C2=C(C3=C(S2)CCCC3)C(=O)N(C1=O)CCOC 1 2.364 2 3 -12.3385087541563 2219620 COC(=O)CN1C2=C(C3=C(S2)CCCC3)C(=O)N(C1=O)CCC4=CC=CC=C4 1 3.758 2 4 -14.3690127845842 2219619 CCN1C2=C(C3=C(S2)CCCC3)C(=O)N(C1=O)CCC4=CC=CC=C4 1 4.399 2 2 -9.78154791725527 2219618 CC1=C(C(=CC=C1)C)NC(=O)CCCCCNS(=O)(=O)C2=CC=CC=C2 1 3.831 2 3 -16.7630688198449 2219584 CC1=CC2=C(C=C1)C(=C(O2)C(=O)NC3=NN=C(S3)C)C 1 2.916 3 2 -5.20987789349687 2219582 CCCCC1CCC(CC1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 4.472 1 3 -13.6806609339212 2219535 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC3=C(C=C2)OCO3 1 2.555 1 5 -5.10372160034571 2219537 C1=CC(=C(C(=C1)Cl)CSCC(=O)O)F 1 2.73 0 2 -10.9298515667231 2219578 CCCCC1CCC(CC1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 3.79 3 2 -16.4399156434146 2219569 CCCCC1CCC(CC1)C(=O)NC2=CC=CC=C2 1 4.697 1 1 -4.88985071504124 2219550 C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O)O 1 4.449 2 5 0 -1.53329303937273 2219525 CC1CCN(CC1)C(=S)C2=CC3=C(C=C2)OCO3 1 3.604 1 2 -8.88909043496888 2219521 CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3Br 1 5.974 1 1 -6.13783675141218 2219519 CC(C)(C)SCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1 1 3.194 1 2 -5.40918605552789 2219508 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 2.573 1 5 -6.54902275391415 2219494 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=O)COC4=CC=CC=C4 1 2.522 2 4 -13.0870319954385 2219483 C1=CC=C(C=C1)OCC(=O)C2=CN(C3=CC=CC=C32)CC(=O)NCC4=CC=CO4 1 3.393 2 4 -17.5566229101486 2219479 C1=COC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)F 1 2.814 4 2 -4.03651981316661 2219469 CC1=C(C=C(C=C1)C(=O)N2CCCC2)S(=O)(=O)NC3=CC=CC=C3C 1 3.165 2 3 -10.7368077911437 2219465 CCOC(=O)CN(C1=CC=CC(=C1)C(=O)C)S(=O)(=O)C 1 0.742 1 5 0 -15.8230583396015 2219463 CCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3 1 4.082 1 1 -4.86775435537184 2219454 C1=CC=C(C=C1)CCNC(=O)CSCC2=CC=C(C=C2)Br 1 4.091 1 1 -12.7682509843324 2219450 CCOC(=O)CN(C1=C(C=CC(=C1)[N+](=O)[O-])OC)S(=O)(=O)C 1 0.88 2 7 0 -15.1597716211863 2219428 COC1=CC(=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=CC=C3F)OC 1 3.386 4 3 0 -8.95802771646821 2219423 CCOC1=C(C(=CC(=C1)C(=S)N2CCCC2)Cl)OCC=C 1 4.725 1 2 -11.7335186929167 2219416 C1=CC=C(C=C1)OCC(=O)C2=CN(C3=CC=CC=C32)CC(=O)N 1 2.422 2 3 -6.97660597142005 2219407 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)COC4=CC=CC=C4 1 5.152 1 2 -5.70295389239132 2219395 C1CN(C2=CC=CC=C21)C3=NC(=NC=C3F)N4CCOCC4 1 1.74 4 1 0 -0.818829118363561 2219373 CCCCN1C(=NNC1=S)C2=CN=CC=C2 1 2.28 4 0 -5.09588458118855 2219371 CN1C2=CC=CC=C2N(C1=O)CCCOC3=CC=C(C=C3)Br 1 3.547 2 2 -3.77505300022219 2219360 C=CCN(CC=C)C(=S)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 3.575 3 3 -17.011313649034 2219338 C1=CC=C(C=C1)CCNC2=C(C=CC=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 4.658 3 1 -0.741887393846685 2219320 COC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3 1 3.536 3 2 -3.3820981059699 2219319 C1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)NC3=CC=CC=C3 1 3.553 3 1 -3.63307073903167 2219318 CCCON1C(=NN=N1)C2=CC=CC=C2 1 -0.31 4 1 0 -4.29314544764978 2219317 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CS(=O)(=O)C3=CC=CC=C3 1 2.95 2 4 -9.79595842691507 2219311 CC1=CC(=NO1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.882 5 5 0 -21.5774788488335 2219309 CN1C=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC 1 0.83 4 5 0 -23.3134790296251 2219302 CN(CC(=O)NCC1=CC=CO1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 1.42 2 5 0 -18.8323489725085 2219300 CN(CC(=O)NC1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 1.336 2 7 0 -14.9570259243204 2219288 CCCCC1=NN=C(S1)NC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.906 5 2 0 -16.9530766302082 2219283 COC(=O)C1=C(C=CS1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3F 1 2.451 5 3 0 -25.1008509785877 2219277 C1=CC=C2C(=C1)C=C(N2)C(=O)NCCCN 1 0.856 3 1 0 -0.479409081952092 2219275 C1COCCN1CCNC(=O)C2=CC3=CC=CC=C3N2 1 1.449 3 2 0 -2.74945155761868 2219273 C1CCN(CC1)CCNC(=O)C2=CC3=CC=CC=C3N2 1 2.678 3 1 -0.350845346706595 2219271 C1=CC=C2C(=C1)C=C(N2)C(=O)NCCCO 1 1.145 2 2 0 0.419845693464958 2219262 CCOC(=O)CCS(=O)(=O)C1=NC(=CC(=N1)C(F)(F)F)C2=CC=CC=C2 1 3.72 2 4 -9.14303715516331 2219253 C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=O)NC2=CC(=CC=C2)Cl 1 1.787 4 3 0 -13.5246161667194 2219252 CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CO2)Br 1 4.052 3 4 0 -6.0023295016253 2219247 COC(=O)CNC(=O)CNC(=O)NC1=CC=CC=C1Cl 1 0.377 3 4 0 -15.5624964464349 2219224 COC1=C(C=CC(=C1)CNC2=NNN=N2)OCC=C 1 1.704 5 2 0 -11.2897396752313 2219220 CCOC1=C(C=CC(=C1)CNC2=CC=C(C=C2)CNC3=NC=NN3)OCC4=CC=CC=C4 1 4.343 5 2 0 -10.4633058196834 2219219 CCCN1C(=NN=N1)NCC2=CC=C(C=C2)F 1 1.679 5 0 0 -15.7220244184116 2219218 CC1=CC(=C(C=C1/C=C\[N+](=O)[O-])F)N2CCCC2 1 3.124 2 2 6.14558378211555 2219141 C1=CC=C(C(=C1)/C(=C\C2=CC=C(O2)SC3=NC4=CC=CC=C4N3)/C#N)F 1 5.556 3 1 -5.23600325196881 2219121 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=CC=N3 1 3.151 3 3 -15.8621799583634 2219119 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3CC3 1 2.992 2 3 -11.9503220437342 2219117 CCCNC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C 1 2.719 2 4 -12.1438907456348 2219114 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3)Cl 1 2.733 1 5 -6.22031937508786 2219100 CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)C2CCCCC2 1 2.616 2 3 -17.4262144158175 2219099 COC1=C(C=C(C=C1)CCNC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C)OC 1 2.206 2 5 0 -20.1937290479232 2219097 CCNC(=O)CN(CCC1=CC=CC=C1)S(=O)(=O)C 1 0.683 2 3 0 -14.8398911187492 2219086 COC1=C(C(=CC(=C1)CNN2C(=NN=N2)N)Br)OCC=C 1 1.359 6 2 0 -11.5671917621809 2219071 CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl 1 5.732 6 2 0 -8.5795074415311 2219069 CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=CS2 1 3.152 6 1 0 -13.4516950957893 2219068 CCCCN1N=C(N=N1)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.619 6 4 0 -6.56330544963283 2219067 CCCCN1N=C(N=N1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 3.619 6 4 0 -7.56981723551474 2219063 CCCCN1N=C(N=N1)NC(=O)COC2=C(C=CC(=C2)C)C(C)C 1 4.035 5 2 0 -9.33120986307023 2219062 CCCCN1N=C(N=N1)NC(=O)COC2=CC(=C(C=C2)Cl)C 1 3.505 5 2 0 -9.1749534540312 2219061 CCCCN1N=C(N=N1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.078 6 3 0 -8.58706470494442 2219056 CCCCN1N=C(N=N1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.038 5 1 -6.78602918471847 2219054 CCCCN1N=C(N=N1)NC(=O)C2=CC=CO2 1 1.914 5 2 0 -9.04307318852937 2219053 CCCCN1N=C(N=N1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.114 5 2 0 -4.72662155297976 2219052 CCCCN1N=C(N=N1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl 1 5.001 5 1 -3.35227743730545 2219051 CCCCN1N=C(N=N1)NC(=O)CC2=CC=C(C=C2)Cl 1 3.218 5 1 -8.55941115406609 2219050 CCCCN1N=C(N=N1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.049 5 1 -14.0469057486249 2219049 CCCCN1N=C(N=N1)NC(=O)CCC 1 1.978 5 1 0 -14.5421713071374 2219044 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CS3 1 2.889 4 3 0 -20.1246198774652 2219038 CCC(=O)NC(=S)NC1=C(C(=CC=C1)Cl)N2CCCCC2 1 4.512 3 1 -6.49067452754143 2219007 CCC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCCO5 1 2.951 5 3 0 -13.7243838853964 2219004 C1COCCN1C2=C(C=CC=C2Cl)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.543 3 5 0 -5.10094642518535 2219000 C1CCN(C1)S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)NC4=O 1 1.271 2 3 0 -19.7301093151039 2218995 CCCCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)O 1 3.992 0 3 0.151562858336148 2218994 CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N)C 1 2.913 5 5 0 -14.669711053898 2218991 C1=CSC(=C1)S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.137 2 4 0 -10.1169399493356 2218985 C1=CC=C(C=C1)/C=C/CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4 1 4.074 4 1 -2.87669572734118 2218971 CN1C(=NN=C1SC/C=C/C2=CC=CC=C2)CC3=CC=CS3 1 4.447 3 0 -6.44349772148827 2218950 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)C=NN3)C4=NC=CN=C4 1 0.815 8 1 0 -14.2421368754912 2218927 CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=N4 1 2.71 4 3 0 -8.28942064086074 2218918 CN1C(=NN=C1SCC(=O)C2=C(C=CC(=C2)OC)OC)C3=CN=CC=C3 1 2.48 4 3 0 -10.1162643424489 2218852 CC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CS3)C4=CC=CC=C4 1 4.846 3 6 0 -11.594513695857 2218825 CCOC(=O)COC1=C(C=C2C(=C1)C3=C(CCCC3)C(=O)O2)C 1 3.859 0 5 -15.041522015181 2218814 CC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)NCCCC(=O)O 1 2.186 1 4 -11.5602142439066 2218808 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C 1 1.39 3 3 0 -22.6388092459752 2218805 COC1=CC(=C(C=C1S(=O)(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)NC3=CC=CC=C3C(=O)O)OC 1 2.032 2 10 0 -9.55283855733495 2218798 CCCOC1=CC=C(C=C1)C2=NC(=C(O2)N3CCC4=CC=CC=C4C3)C#N 1 4.76 3 2 -2.19098703746931 2218779 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NCC(=O)OC 1 3.019 2 3 -11.2147893784611 2218773 CCOC1=CC=C(C=C1)C(=O)NC(=S)NCCCN2CCOCC2 1 2.132 3 3 -13.9965385361888 2218770 CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.925 3 5 0 -16.8608191886782 2218754 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=NC=C4 1 0.982 6 3 0 -16.4611195618751 2218719 COC1=CC=CC(=C1)C2=NC(=S)C3=C(N2CCCO)CCCC3 1 3.097 2 2 -5.41031638799046 2218711 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3OC 1 1.733 5 4 0 -18.1933732106629 2218699 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)COC3=CC=CC=C3 1 1.585 5 4 0 -19.5378920866867 2218678 CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)CC1=CC=CC=C1 1 3.012 1 3 -11.6630312269737 2218667 COCCSC1=NN=C(S1)NC(=O)CSCC2=CC=CC=C2 1 2.441 3 2 -21.1539334391664 2218666 CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSCC3=CC=CC=C3 1 4.126 2 1 -8.2494567265089 2218643 COCCSC1=NN=C(S1)NC(=O)CC2=CC=CS2 1 2.029 3 2 -19.1093752149958 2218623 C1CN(CCN1C(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)C5=CC=CO5 1 2.78 2 4 -7.76550902915019 2218619 CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35 1 4.986 2 2 -3.33164236482552 2218611 COCCSC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3 1 1.809 3 4 0 -18.1706566407848 2218605 C1CN(CCN1C(=O)C2=CC=CC=C2OC3=CC=CC=C3)C(=O)C4=CC=CO4 1 3.08 2 4 -5.05766820566183 2218604 COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-])OC 1 1.382 3 7 0 -10.7102620562036 2218600 COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-] 1 1.27 3 7 0 -9.96384133264187 2218599 COCCSC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC 1 1.791 4 6 0 -21.1984422237226 2218592 CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)OCC 1 2.185 2 5 0 -10.2580963125884 2218586 COCCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 1.919 4 5 0 -20.9563825592934 2218585 COCCSC1=NN=C(S1)NC(=O)C2=CC=CO2 1 1.436 3 3 0 -14.9675655840331 2218579 COCCSC1=NN=C(S1)NS(=O)(=O)CC2=CC=CC=C2 1 1.751 3 3 0 -15.8924032720472 2218569 CC1=C2C(=CC=C1)SC(=N2)NS(=O)(=O)C3=CC=CC=C3 1 3.429 2 2 -0.744669260649436 2218567 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=CC=C2 1 1.342 3 2 0 -8.80266208959648 2218557 COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.538 2 4 0 -8.8437478479861 2218556 COCCSC1=NN=C(S1)NC(=O)CC2=CC=C(C=C2)OC 1 2.059 3 3 -16.5651243132049 2218487 COCCSC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.811 1 4 -13.7892287670706 2218480 COCCSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.83 2 5 0 -25.6844570885683 2218473 COCCSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.963 2 4 -8.33422168245318 2218471 COCCSC1=CC=CC=C1C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.8 1 4 -14.4924680806207 2218470 CC1=CC(=NO1)NC(=O)C2=CC=CC=C2SCCOC 1 2.164 2 3 -18.2858845523734 2218468 CC1=NN=C(S1)NC(=O)C2=CC=CC=C2SCCOC 1 1.76 3 2 0 -16.5252838653116 2218467 COCCSC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.737 2 4 0 -18.4676101772355 2218466 COCCSC1=CC=CC=C1C(=O)NC2=CC=CC=C2C#N 1 2.904 2 2 -12.0034970529817 2218462 COCCSC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2 1 3.353 1 2 -13.055524484983 2218461 COCCSC1=CC=CC=C1C(=O)N2CCC3=CC=CC=C3C2 1 3.313 1 2 -14.7609074655904 2218460 COCCSC1=CC=CC=C1C(=O)NC2=CN=CC=C2 1 1.875 2 2 0 -10.0814964159109 2218456 COCCSC1=CC=CC=C1C(=O)N2CCOCC2 1 1.342 1 3 0 -12.7299234910789 2218455 COCCSC1=CC=CC=C1C(=O)N2CCC3=CC=CC=C32 1 3.306 1 2 -14.4861360165929 2218454 COCCSC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 2.903 2 5 0 -13.6543102024076 2218453 COCCSC1=CC=CC=C1C(=O)NC2=CC=NC=C2 1 1.875 2 2 0 -9.80464839458055 2218450 CC(C)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SCCOC 1 4.219 1 2 -10.3403152199296 2218449 COCCSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 3.195 2 2 -7.49707223814026 2218447 COCCSC1=CC=CC=C1C(=O)N2CCCC2 1 2.115 1 2 -10.8071585271352 2218442 COCCSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)Br 1 3.774 1 2 -9.02201910275491 2218441 COCCSC1=CC=CC=C1C(=O)N2CCC(CC2)CC3=CC=CC=C3 1 4.312 1 2 -7.32795079010073 2218435 COCCSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)Cl 1 3.69 1 2 -7.56535935765347 2218434 CC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2SCCOC)C 1 3.998 1 2 -9.77612204707036 2218432 COCCSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.284 2 2 -7.32136570503836 2218419 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCO3 1 3.545 2 4 -13.16307471531 2218418 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C 1 4.75 3 4 0 -12.026081499007 2218409 C1CN(CCN1CCOCCO)CC2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 0.853 3 6 0 0.421860842964782 2218394 C1=CC=C(C(=C1)OC2=CC(=NC(=N2)N)OCC(F)(F)F)F 1 3.66 3 2 0.260833817836876 2218368 C1CCC2=C(C1)C3=C4NN=CN4C(=O)N=C3S2 1 1.779 4 1 0 -7.93073376990821 2218361 CC(C)(C(=O)C1=CC=CC=C1)/[N+](=C/C2=CC=C(C=C2)Br)/[O-] 1 3.721 1 2 -1.62399408986635 2218359 CC(C)(C(=O)C1=CC=CC=C1)/[N+](=C/C2=CC=CC=C2F)/[O-] 1 3.178 1 2 -1.98593639338479 2218357 CC(C)(C(=O)C1=CC=CC=C1)/[N+](=C/C2=CC=C(C=C2)F)/[O-] 1 3.178 1 2 -1.27745600988648 2218355 CC(C)(C(=O)C1=CC=CC=C1)/[N+](=C/C2=CC=CC=C2)/[O-] 1 2.972 1 2 -2.45430831448433 2218351 COC1=CC=C(C=C1)C=NNC(=O)C2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.883 4 2 -2.1353742835144 2218320 C1CCN(CC1)C(=O)C(=O)NNC(=O)COC2=CC=C(C=C2)Cl 1 1.184 3 4 0 -11.0179052785152 2218273 CC1=CC=CC=C1C(=O)NNC(=O)C(=O)NC2=C(C(=CC=C2)Cl)C 1 2.774 3 3 -10.8700553097715 2218265 C1=CC=C(C=C1)CCCCNC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 5.019 1 2 -8.53968505939574 2218249 CC1=CC(=CC=C1)NC(=O)C(=O)NNC(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.024 3 3 -3.82901189390529 2218197 CC1=CC(=C(C=C1)OC)NC(=O)C(=O)NCC2=CC=NC=C2 1 1.207 3 3 0 -11.8486281172874 2218167 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.482 3 4 0 -15.8197718101294 2218157 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3 1 3.082 2 4 -14.2336377933857 2218154 CCCCC(=O)NCC1=CC=CC=C1Cl 1 3.201 1 1 -14.2430907789824 2218150 CCN1C(=NN=C1SCCC#N)C2=CC=NC=C2 1 1.585 5 0 0 -7.42978769306061 2218141 COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)N)C3=CC=CC=C3)[N+](=O)[O-] 1 3.19 5 4 0 -1.38288803631155 2218137 COC1=CC=CC=C1N2CCN(CC2)C(=O)C(=O)NN=CC3=CC(=CC=C3)O 1 1.95 4 4 0 -5.62843920098263 2218130 CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=C(C=C3)C(=O)O 1 3.112 3 7 0 -12.0228742193097 2218111 COC1=CC=C(C=C1)C=NNC(=O)C(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.175 4 4 0 -8.01869809228274 2218056 C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O 1 2.626 3 7 0 -12.1894476309257 2218026 C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)NCC3=CC=CC=N3 1 1.86 3 2 0 -12.2779013318908 2217964 COC1=C(C=C(C=C1)Cl)NC(=O)C(=O)NCC2=CC=NC=C2 1 1.385 3 3 0 -9.8335808250511 2217959 C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)C(=O)O 1 2.361 2 7 0 -10.4511994539505 2217946 CC1=CC(=NC(=N1)SC)SCC(=O)NC2=CC=CC=C2 1 3.114 3 1 -9.9082178732416 2217945 CNC1=NC(=NC(=N1)N2CCCCC2)OCC#N 1 1.018 6 1 0 -5.81371697791069 2217921 CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC(=O)C=C(N2)C 1 0.834 4 5 0 -27.7752366451492 2217917 CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CN2CCOCC2 1 -0.126 3 5 0 -17.8760265375002 2217915 CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CN2C=NC3=CC=CC=C32 1 1.418 4 4 0 -19.8125147027726 2217907 C1=CC=C(C=C1)CNC(=O)C2=C(C(=CC=C2)F)F 1 3.032 1 1 -7.30435199270597 2217903 CC1=CC(=C(C(=C1Cl)C(=O)NC2CC2)F)F 1 3.089 1 1 -4.67933063912906 2217894 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)N3CCOCC3 1 1.953 2 5 0 -15.1639838114491 2217893 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 3.422 2 6 0 -18.6951725291671 2217890 C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC(=O)NC3=CC=CC=C3C(F)(F)F)N 1 3.292 4 2 -12.9216762464365 2217889 CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)C3=CC=CC=C3)Cl 1 3.5 4 2 -11.4599217289507 2217888 C1COCCN1C(=O)CSC2=NC(=O)C(=C(N2)N)C3=CC=CC=C3 1 0.666 4 3 0 -14.8005987506733 2217887 C1=COC(=C1)CNC(=O)CN2C=CC3=C2C=C(C=C3)C#N 1 2.033 3 2 -18.8099899900656 2217886 C1=CC=C2C(=C1)C(=CN2CC(=O)NCC3=CC=CO3)C(=O)C4=CC=CC=C4F 1 3.764 2 3 -17.5321857736028 2217871 COCCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C 1 -0.182 2 4 0 -13.9195162867952 2217867 COCCCNC(=O)C1=CC=CC=C1SC 1 1.511 1 2 0 -16.3741711778095 2217865 COCCCNC(=O)C1=CC=CC=C1NS(=O)(=O)C 1 -0.12 2 4 0 -16.8776288362634 2217860 COCCCNC(=O)CN(C1=C(C=CC(=C1)[N+](=O)[O-])OC)S(=O)(=O)C 1 -0.184 3 7 0 -22.8100857826494 2217851 COCCNC(=O)CSCC1=C(C=CC=C1Cl)F 1 2.177 1 2 -18.3438960299289 2217849 CN(C1=CC=C(C=C1)C(=O)N2CCCC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.365 2 5 0 -17.7657117961704 2217843 C1=CC=C(C(=C1)C2=NN=C(O2)SCC#CCO)Br 1 3.011 2 2 -5.76769863689102 2217831 CCN1C(=NN=N1)SCCSC2=NN=NN2CC 1 0.963 8 0 0 -14.543808029255 2217829 CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)OC(C)C 1 3.132 1 3 -14.1826487621586 2217808 CCNC(=O)CN(C1=CC(=C(C=C1)Br)C)S(=O)(=O)C 1 1.59 2 3 0 -14.5410581746507 2217799 CS(=O)(=O)N(CC(=O)NCC=C)C1=CC(=C(C=C1)F)Cl 1 1.493 2 3 0 -17.4696588103125 2217788 CN(C1=CC=C(C=C1)C(=O)NCC=C)S(=O)(=O)C2=CC=C(C=C2)OC 1 2.332 2 4 -17.5422557117788 2217778 CN(C)S(=O)(=O)N(CC(=O)NCC1=CC=CC=C1)C2=CC=CC=C2 1 1.181 3 3 0 -16.4459851298169 2217725 CCOC1=CC(=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=C(C=C4)[N+](=O)[O-])[O-])OCC 1 3.773 3 7 0 -9.42775446006387 2217718 CC(C)CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=C(C=C4)[N+](=O)[O-])[O-] 1 4.672 3 6 0 -9.36166079609565 2217717 CCOC1=CC(=C(C=C1)OCC)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=C(C=C4)C(C)(C)C)[O-] 1 5.279 2 5 0 -5.53146820030074 2217668 C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.351 2 4 0 -7.5971144279729 2217611 CCCCN(C1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=CC=C2 1 3.707 1 4 -12.3272444351748 2217583 C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CN(N=C3)C4=CC=CC=C4)/C(=O)NC2=O 1 2.88 4 3 0 -1.03719215931396 2217579 CCCCC(=O)NC1=C2C=CC=C3C2=C(CC3)C=C1 1 4.038 1 1 -7.66344750899459 2217555 CC1=CC=CC=C1N2C(=O)/C(=C/C3=CN(N=C3)C4=CC=CC=C4)/C(=O)NC2=O 1 3.359 4 3 0 -8.00106373008938e-003 2217512 CC1=CC=C(C=C1)C(=O)/C=C/NC2=CC3=C(C=C2)OCO3 1 3.297 1 3 -2.6389386819873 2217503 CC1=CC=C(C=C1)S(=O)(=O)NN=CC(C)(C)CO 1 1.556 2 3 0 -1.53914774486679 2217477 CC1=CC=C(C=C1)CN2C(=C(/C(=C/C3=CC(=C(C=C3)O)OC)/C2=O)C(=O)OC)C 1 3.501 1 5 -8.60333895973511 2217458 C1=CC2=C(N=C1)SC(=NC2=O)NCC3=CC=CO3 1 2.184 3 2 -5.05193371803636 2217404 CCOC1=C(C(=CC(=C1)C(=O)O)Cl)OCC#N 1 2.17 1 4 -8.49392582439547 2217398 CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2CNCCO 1 1.652 2 5 0 -8.15143859535331 2217396 CCCCNCC1=CC(=C(C=C1Br)OCC(=O)N)OCC 1 2.614 2 3 -7.38804691921744 2217340 CCCNCC1=CC(=C(C=C1Br)OCC(=O)NC2=CC=CC=C2)OCC 1 3.941 2 3 -6.94458554092819 2217311 COC1=C(C=C(C=C1)CNCCC2=CC=CC=C2)OCC(=O)N 1 2.093 2 3 -8.17148767301998 2217251 CCCCOC1=C(C=C(C=C1Cl)CNC(C)(C)CO)OCC 1 3.719 1 3 -7.53072352238377 2217233 CCOC1=C(C(=CC(=C1)CNCC(C)C)Cl)OCC2=CC=CC=C2 1 5.123 1 2 -6.17340264415985 2217162 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NOC(=C3)C4=CC=CC=C4 1 3.082 2 4 -7.67523189251407 2217157 C1COCCN1CCCNC(=O)C2=NOC(=C2)C3=CC=CC=C3 1 1.619 3 3 0 -8.30005574443045 2216937 C1CCN(CC1)S(=O)(=O)N2C3=CC=CC=C3N=N2 1 1.723 4 2 0 -8.07317545246101 2216935 CN(C)S(=O)(=O)N1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 0.883 4 3 0 -19.0505585301118 2216933 CN1CCC2=C(C1)C=C(C(=N2)SCCOC3=CC=CC=C3)C#N 1 3.561 3 1 -7.61111026568487 2216919 CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C)C2=CN=CC=C2)C#N 1 2.256 3 3 -15.1352430483232 2216908 CC(C)(C)C(=O)C1=C(C(=C(S1)NCC=C)C#N)N 1 2.751 3 1 -15.1648032497775 2216871 CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C#N 1 5.735 2 3 -9.94808217290821 2216841 CC1=CC=C(O1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCC#N 1 4.047 3 1 -4.16136916183161 2216835 CCCCSC1=NC2=C(CCC2)C(=C1C#N)C(F)(F)F 1 4.974 2 0 -7.8689318186897 2216825 C=CCSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N 1 4.913 2 2 -5.5858746401263 2216823 CCCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N 1 5.4 2 0 -4.09391624530323 2216801 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(CCCCC3)C=C2C#N 1 3.39 4 2 -27.2375470225321 2216794 CCOC(=O)NC(=O)CSC1=CC=CC=N1 1 1.596 2 3 0 -10.9138646660945 2216792 CCOC(=O)NC(=O)CSC1=NN=C(S1)C 1 0.942 3 3 0 -17.6792912957503 2216785 CN1C(=C(C=N1)Cl)C(=O)NC2=CC(=CC=C2)SC 1 2.762 3 1 -1.55635898644492 2216782 CC1=C(C=C(C=C1)Cl)NC(=O)CC(C(F)(F)F)(C(F)(F)F)O 1 3.576 1 2 -5.37183117597854 2216723 CC1=CC(=O)N=C(N1)SCCOC2=CC3=C(CCC3)C=C2 1 3.657 2 2 -15.3590625955865 2216700 CC1=C(C=C(C=C1)OCCOCCN2C=NC3=CC=CC=C3C2=O)C 1 3.43 2 3 -4.61774955078317 2216695 C1=CC=C2C(=C1)C(=O)N(C=N2)CCCCOC3=CC=C(C=C3)Br 1 3.979 2 2 -0.501191376532779 2216686 CC1=CC(=O)N=C(N1)SCCOC2=CC=CC(=C2)C(F)(F)F 1 3.542 2 2 -10.1665562866826 2216668 CC(C)OC1=CC=CC=C1OCCCCN2C=NC3=CC=CC=C3C2=O 1 3.94 2 3 -4.78109962112989 2216661 CC1=CC(=C(C(=C1)C)OCCCCN2C=NC3=CC=CC=C3C2=O)C 1 4.689 2 2 -0.840632424803255 2216639 CC1=CC=CC=C1SCCNC(=O)C2=CC=C(C=C2)OC 1 3.698 1 2 -9.32700404041348 2216630 CC1=CC=C(C=C1)SCCCCN2C(=O)C(NC2=O)(C)C 1 3.16 2 2 -6.10516365912111 2216614 CC1=CC(=C(C=C1)C)OCCNC(=O)OC 1 2.621 1 3 -5.58064171171046 2216611 C1=CC=C(C=C1)N2C(=O)NN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F 1 3.772 4 2 -16.6749708684748 2216508 C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NN3C=NN=C3 1 1.725 4 2 0 -2.71123668702899 2216509 CC1(C(=O)N(C(=O)N1)CCCCOC2=C(C=C(C=C2)Cl)C=O)C 1 2.54 2 4 -1.99360042215893 2216518 CC1(C(=O)N(C(=O)N1)CCCOC2=CC3=C(CCC3)C=C2)C 1 2.593 2 3 -6.2139227127636 2216524 CN(CCCC(=O)NC1=C(C=C(C=C1)Br)F)S(=O)(=O)C2=CC=CC=C2 1 3.106 2 3 -11.4830012420202 2216525 CC(C)(C)C1=CC=C(C=C1)OCCOCCN2C=NC3=CC=CC=C3C2=O 1 3.858 2 3 -1.85370341650615 2216567 C/C=C/C1=CC(=C(C=C1)OCCCCN2C(=O)C(NC2=O)(C)C)OC 1 3.053 2 4 -8.77676703354355 2216537 CC1=CC(=C(C(=C1)OCCCCN2C=NC3=CC=CC=C3C2=O)C)C 1 4.689 2 2 0.287195506154403 2216534 CC1(C(=O)N(C(=O)N1)CCOCCOC2=C(C3=CC=CC=C3C=C2)Br)C 1 2.999 2 4 -4.30008475060194 2216501 CCOC1=C(C=CC(=C1)C=O)OCCCN2C(=O)C(NC2=O)(C)C 1 1.627 2 5 0 -11.9876628981198 2216495 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC(=NO3)C4=CC=NC=C4 1 1.126 4 3 0 0.125383949606711 2216494 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCO 1 2.821 4 4 0 -16.7125381393186 2216490 CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)[N+](=O)[O-] 1 2.183 4 6 0 -7.00268599703041 2216480 CC1=CC=CC=C1SCCNC(=O)CCC2=CC=CC=C2 1 4.205 1 1 -14.7186728879567 2216436 C1=CC=C2C(=C1)C(=O)N(C=N2)CCCOC3=CC=CC=C3[N+](=O)[O-] 1 2.545 3 4 0 -3.93313127284493 2216431 C1=CC=C(C(=C1)CO)OCCOC2=C3C(=C(C=C2)Cl)C=CC=N3 1 3.691 1 3 -0.911199235848041 2216430 C1=CC=C(C=C1)OC2=CC(=CC=C2)OCCNC(=O)CSCC3=NC(=O)NN3 1 1.943 4 4 0 -13.4900055118109 2216420 COC1=CC=CC=C1OCCOCCN2C=NC3=CC=CC=C3C2=O 1 2.441 2 4 -8.22229483206477 2216415 C/C=C/C1=CC(=C(C=C1)OCCSC2=NC(=O)C=C(N2)C)OC 1 3.537 2 3 -17.357629752043 2216396 CN(CCCC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.375 3 5 0 -19.7294006949366 2216384 CC1=CC(=O)N=C(N1)SCCCOC2=CC=C(C=C2)F 1 2.868 2 2 -12.2754561149484 2216374 CC1=C(C=CC(=C1)OCCCCN2C(=O)C(NC2=O)(C)C)[N+](=O)[O-] 1 2.496 3 5 0 -9.28247147768731 2216372 CC1=CC(=C(C=C1)C)OCCCCN2C=NC3=CC=CC=C3C2=O 1 4.203 2 2 5.77510223107061e-002 2216364 C1=CC=C2C(=C1)C(=O)N(C=N2)CCOCCOC3=CC=C(C=C3)[N+](=O)[O-] 1 2.352 3 5 0 -6.52623535297469 2216356 CC1=CC(=O)N=C(N1)SCCCOC2=CC3=C(CCC3)C=C2 1 3.719 2 2 -15.2130647214134 2216312 CCOC1=CC=CC=C1NC(=O)CSC2=NN=NN2CC3=CC=CC=C3 1 2.776 5 2 0 -27.7476245240361 2216275 CCCOC1=CC(=CC=C1)OCCSC2=NC(=O)C=C(N2)C 1 3.456 2 3 -14.3270131627183 2216271 CC1=CC(=C(C(=C1)C)OCCNC(=O)C2=C(C=C(C=C2)SC)OC)C 1 4.654 1 3 -5.09976014180096 2216265 CC1=CC=C(C=C1)OCCNC(=O)CC2=CC=C(C=C2)F 1 3.396 1 2 -7.58126918382951 2216263 C/C=C/C1=CC(=C(C=C1)OCCCN2C(=O)C(NC2=O)(C)C)OC 1 2.473 2 4 -8.21248986922014 2216242 CN(CCCC(=O)NCC1=CC=CO1)S(=O)(=O)C2=CC=CC=C2 1 1.341 2 4 0 -20.558632054969 2216232 CN(CCCC(=O)NCC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.822 3 7 0 -21.2013932392479 2216210 CC1(C(=O)N(C(=O)N1)CCCCOC2=CC3=C(CCC3)C=C2)C 1 3.173 2 3 -6.77819987708701 2216207 CC(=O)C1=CC=C(C=C1)OCCOC2=C3C(=C(C=C2)Cl)C=CC=N3 1 4.036 1 3 -4.40236707988743 2216206 COC1=C(C(=CC=C1)OC)OCCOCCN2C=NC3=CC=CC=C3C2=O 1 2.424 2 5 0 -6.28311274342878 2216203 CC(C)C1=C(C=CC(=C1)Br)OCCCN2C(=O)C(NC2=O)(C)C 1 3.478 2 3 -0.496600914360906 2216201 CCC1=CC(=CC=C1)OCCCN2C(=O)C(NC2=O)(C)C 1 2.478 2 3 -3.82804761917461 2216152 CN(CC(=O)NNC(=O)C1=CN=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.018 4 4 0 -11.3979811286125 2216141 COC1=CC=CC=C1OCC#CCSC2=NC=CC=N2 1 3.32 2 2 -7.33860029683602 2216137 CC1(C(=O)N(C(=O)N1)CCCCOC2=C(C=C(C=C2)Br)Cl)C 1 3.529 2 3 -2.53785838178662 2216136 CC1(C(=O)N(C(=O)N1)CCCCOC2=CC=CC=C2[N+](=O)[O-])C 1 2.01 3 5 0 -8.01493341422497 2216133 CC1(C(=O)N(C(=O)N1)CCCOC2=C(C=C(C=C2)Br)Cl)C 1 2.948 2 3 -1.97358121746321 2216117 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC(=NO3)C4=CN=CC=C4 1 0.878 4 3 0 -0.563077291785931 2216106 CC1=CC(=CC(=C1Cl)C)OCCCCN2C(=O)C(NC2=O)(C)C 1 3.753 2 3 -3.25937255534522 2216100 CC1(C(=O)N(C(=O)N1)CCCCOC2=C(C3=CC=CC=C3C=C2)Cl)C 1 3.689 2 3 1.77967352565155 2216097 C1=CC=C2C(=C1)C(=O)N(C=N2)CCCCOC3=CC=CC=C3F 1 3.436 2 2 -1.02796224398573 2216091 CC1=CC=C(C=C1)SCCSC2=NC(=O)C=C(N2)C 1 3.644 2 1 -11.0582841584453 2216070 CC1(C(=O)N(C(=O)N1)CCOCCSC2=CC=CC=C2)C 1 1.901 2 3 0 -7.72405449085091 2216048 CC1=CC(=CC(=C1)OCCNC(=O)CCC2=CC=CC=C2)C 1 4.133 1 2 -12.3543871045051 2216028 CC1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)[N+](=O)[O-] 1 2.496 2 4 -14.3232076364918 2216025 CCC(=O)C1=CC=CC=C1OCCSC2=NC(=O)C=C(N2)C 1 3.007 2 3 -19.1213024382562 2216018 CC1(C(=O)N(C(=O)N1)CCOCCOC2=CC=CC(=C2)OC3=CC=CC=C3)C 1 2.903 2 5 0 -6.46741137190136 2216015 CC1=CC(=C(C(=C1)Br)OCCCSC2=NC(=O)C=C(N2)C)Cl 1 4.561 2 2 -9.87186327954798 2215979 C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)N2C=NN=C2N 1 2.376 4 2 -2.17452899309272 2215972 CC1(C(=O)N(C(=O)N1)CCCCOC2=CC=CC(=C2)C(F)(F)F)C 1 3.058 2 3 -1.58569356818319 2215967 CC1=CC(=C(C=C1)[N+](=O)[O-])OCCCN2C(=O)C(NC2=O)(C)C 1 1.916 3 5 0 -6.69295817106309 2215966 CC1(C(=O)N(C(=O)N1)CCOCCOC2=CC=CC=C2C3=CC=CC=C3)C 1 2.861 2 4 -6.26190686979395 2215942 CC1(C(=O)N(C(=O)N1)CCOCCOC2=C(C=C(C=C2Cl)Cl)Cl)C 1 3.336 2 4 -5.6783380234146 2215934 CC1=C(C(=CC=C1)C)OCCCCN2C=NC3=CC=CC=C3C2=O 1 4.203 2 2 -2.06896385664292 2215923 CN(CCCC(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.054 3 5 0 -20.3209542068024 2215920 CC1(C(=O)N(C(=O)N1)CCCCSC2=CC=C(C=C2)Cl)C 1 3.338 2 2 -4.28316496853429 2215917 C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NC3=NC=NN3 1 2.408 4 2 -4.0432083413432 2215913 CCC(=O)C1=CC=CC=C1OCCCN2C(=O)C(NC2=O)(C)C 1 1.943 2 4 0 -9.97616255543334 2215909 CC1(C(=O)N(C(=O)N1)CCCOC2=CC=CC=C2Br)C 1 2.284 2 3 -3.5511238589116 2215894 CCC1=C(C=CC(=C1)OCCCSC2=NC(=O)C=C(N2)C)Cl 1 4.269 2 2 -12.9429073078498 2215889 CC1(C(=O)N(C(=O)N1)CCCSC2=CC=C(C=C2)Cl)C 1 2.758 2 2 -2.99573043866532 2215875 CCCS(=O)(=O)C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)NC(=O)C(C)C 1 3.917 1 5 -25.0053701915482 2215872 CN(CC(=O)NC1=CC=CC2=C1CCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.761 2 3 -9.57313723415064 2215864 CC1=CC(=C(C(=C1)Cl)OCCN2C(=O)C(NC2=O)(C)C)C 1 3.11 2 3 -1.83307999256105 2215859 CC1=CC(=O)N=C(N1)SCCCOC2=CC=CC=C2Cl 1 3.327 2 2 -13.3059091107196 2215855 CC1=CC(=O)N=C(N1)SCCCOC2=C(C=CC=C2OC)OC 1 2.629 2 4 -14.7412140917002 2215854 CC1=CC(=CC(=C1OCCCN2C(=O)C(NC2=O)(C)C)Br)Cl 1 3.435 2 3 2.79960263980245 2215853 CC1=CC=C(C=C1)C2=NOC(=N2)CCCOC3=C(C=C(C=C3)Cl)Cl 1 5.364 2 2 6.36522371195398 2215824 CCCCC1=NNC(=S)N1CC2=CC=CC=C2 1 3.6 3 0 -4.30309955037677 2215808 CC1=C(SC(=N1)C)C2=CSC(=N2)NC3=CC(=C(C=C3)O)C(=O)O 1 2.365 3 3 9.05837487472806 2215798 CCCCC1=NN=C(S1)NC(=O)CSC2=NC(=O)C=C(N2)C 1 1.918 5 2 0 -25.9221918458385 2215784 C1=CC(=CN=C1)C2=CSC(=N2)NC3=CN=CC=C3 1 1.385 4 0 0 5.39983543121023 2215778 COCCN1C=C(C2=CC=CC=C21)C(=S)N3CCOCC3 1 2.723 2 2 -12.7564493562333 2215756 C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)O 1 4.605 5 3 0 -28.5618207495424 2215751 CC1=C(SC(=N1)C)C2=CSC(=N2)NC3=CC(=CC=C3)OC 1 2.96 3 1 9.15946079623668 2215747 CC1=NC2=C(C=C(C=C2)NC(=S)N3CCOCC3)N=C1C 1 2.765 4 1 -13.5801652679718 2215738 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=NN3 1 1.095 4 3 0 -16.7712856300658 2215727 COC(=O)C1=C(SC=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3SC 1 2.62 5 3 0 -29.2945558251147 2215726 C=CCOC1=CC=C(C=C1)CNN2C=NNC2=S 1 2.05 4 1 -10.317636241471 2215724 CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC(=O)NCCC2=CCCCC2)OC 1 2.804 2 4 -17.1397697489912 2215722 CCCCOC1=C(C=C(C=C1)Cl)CSC2=NN=C(N2N)C 1 3.606 4 1 -9.6960906149894 2215718 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 3.314 3 3 -17.2841280453969 2215716 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.512 4 3 0 -1.76969923112613 2215689 CC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Br)OCC=C)OC 1 2.861 4 2 -13.669550212363 2215688 CCC1=CC(=C(C=C1)OCC(=O)N(C)CCC#N)Br 1 2.748 2 2 -9.73921088930942 2215682 COC1=CC=C(C=C1)NC(=O)NCCCN2CCCC2=O 1 0.646 3 3 0 -20.617434280829 2215647 C1=CC=C(C(=C1)C(=O)O)OCCOCCOC2=CC=CC=C2C(=O)O 1 2.574 0 7 0 -5.4125200290486 2215641 C1OC2=C(O1)C=C(C=C2)NC(=O)C(=O)NCC3=CC=NC=C3 1 0.505 3 4 0 -12.6356170772155 2215630 COC1=C(C=CC(=C1)CNC2=NC=CS2)OCC=C 1 2.33 2 2 -10.3471646441572 2215626 COC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.474 3 3 -3.66248371634329 2215618 COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Cl)OCC=C 1 2.698 4 2 -11.8250812993716 2215607 CCCOC1=CC=C(C=C1)C2=CN=C(S2)N 1 2.746 2 1 1.59234833649035 2215601 C=CCNC(=O)NC(=S)C1=CC=CC=C1 1 2.334 2 1 -8.18252016108141 2215593 COCCN1C(=NNC1=S)CCC2=CC=CC=C2 1 2.462 3 1 -7.43784675215191 2215592 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)C#N 1 1.494 5 2 0 -15.5359955626742 2215587 CCOC1=CC=CC(=C1OCC=C)CNC2=CC=CC(=C2)C(=O)O 1 3.784 1 4 -10.8898700244423 2215585 COC1=CC=CC(=C1OCC=C)CNC2=NC=NN2 1 1.635 4 2 0 -9.87511946695393 2215568 CCCOC1=CC=C(C=C1)C2=NC(=S)NN2 1 2.752 3 1 -1.60277757562784 2215567 CCCCC1=NN=C(S1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC(=C3)C)N 1 3.453 6 2 0 -20.9699172919073 2215563 CC(C)N(CC1=NC(=NO1)C2=CC=C(C=C2)Cl)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 5.331 3 2 -0.729452559094274 2215540 C=CCOC1=CC=C(C=C1)CNC2=NC=CS2 1 2.347 2 1 -6.61352273329707 2215525 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4 1 2.857 4 3 0 -10.1241313962016 2215524 C1=CC=C(C(=C1)C2=NN=C3N2N=C(S3)C4=CC=CS4)Cl 1 3.996 4 0 -4.85790865610983 2215518 CCC(=O)NC1=NN=C(S1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.106 4 4 0 -25.6943733117579 2215513 CC1=CC(=CC(=C1OCC(=O)NNC(=O)CCC(=O)NCC2=CC=CC=C2)C)Br 1 2.77 3 4 0 -16.5809167083235 2215497 CC1=NNC(=S)N1NCC2=C(C=CC3=CC=CC=C32)OCC=C 1 3.038 4 1 -8.91978199793681 2215490 CC(=O)NC1=CC=CC(=C1)C2=CSC(=N2)NC3=NC=C(C=C3)Cl 1 2.86 4 1 7.83217656825163 2215484 CC(=O)NC1=C(N=C(NC1=O)SCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)O 1 1.495 6 4 0 -27.6323444541094 2215472 C=CCOC1=C(C2=CC=CC=C2C=C1)CNC3=NC=NN3 1 2.56 4 1 -5.35394170257877 2215460 C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)NC4=CC=C(C=C4)S(=O)(=O)N 1 3.3 3 2 6.80038185952225 2215459 CC1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C)COC)C#N 1 2.16 3 2 -19.45086995326 2215441 C1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)Br 1 3.078 2 1 -4.23048970482364 2215411 CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)COC3=C(C4=CC=CC=C4C=C3)C 1 4.253 4 4 0 -14.4645094442374 2215406 CCOC1=CC=CC(=C1OCC=C)CNC2=CC=C(C=C2)C(=O)O 1 3.784 1 4 -11.3646945603208 2215404 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3(CCCC3)C(=O)NC4=CC=C(C=C4)OC 1 5.324 2 3 -10.2550792366605 2215403 CCCCC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 4.749 3 3 -2.19173426635368 2215392 COC(=O)C1=CC=CC=C1NC(=O)CN2CCCCCC2 1 2.185 2 3 -11.7031868638487 2215384 C1COCCN1CC(=O)NC2=CC(=CC=C2)Br 1 1.392 2 2 0 -5.53571832273577 2215374 CC(=O)NC1=CC=CC(=C1)C2=CSC(=N2)N 1 1.147 3 1 0 4.02023982485459 2215327 CCOC1=C(C=CC(=C1)CNN2C=NNC2=S)OCC=C 1 2.383 4 2 -14.7350088157592 2215331 CCCCC12CN3CC(C1=O)(CN(C2)C34C5=C(C=CC(=C5)C)N(C4=O)C)C 1 3.358 3 2 -5.24709155222412 2215333 CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N=C2OCC(=O)C4=CC=C(C=C4)Br 1 4.888 3 3 -4.28295930246214 2215334 CC(C)N(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4 1 2.905 3 4 0 -3.43632654967485 2215370 CC1=NN=C(S1)SCC(=O)NC2=NSC(=N2)C3=CC=C(C=C3)OC 1 2.5 5 2 0 -11.8174053919555 2215367 CN(C)C1=NC(=NC(=N1)NCC2=CC=CC=C2)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.477 6 1 0 -9.24177979549274 2215366 CCCCC1=NN=C(S1)NC(=O)CSC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O 1 3.322 5 3 0 -21.2061447750941 2215365 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)CSC4=CC=C(C=C4)Cl 1 4.043 5 1 -10.1914728736873 2215308 CN(C)C1=CC=C(C=C1)NCC2=CC(=C(C(=C2)Cl)OCC=C)OC 1 4.632 2 2 -10.3834665330103 2215294 C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=C(C=C(C=C3)F)Cl 1 4.484 2 1 -9.15820721438268 2215270 CC1=C(C=CC(=C1)O)NC2=NC(=CS2)C3=CC=CS3 1 3.884 2 1 8.57252635707931 2215251 CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCCCOC 1 1.06 2 3 0 -21.1661939056649 2215233 CC(C)OC(=O)C1=C(C2=C(S1)N=C(C=C2)C3=CC=CC=C3)N 1 3.813 2 2 -5.9088976241527 2215226 CC(C)C(=O)NC1=C(C=C(C=C1)NCC2=CC(=C(C(=C2)Br)OCC=C)OC)OC 1 4.788 2 4 -21.1511209634376 2215225 CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=NC=C2 1 0.941 3 4 0 -14.1014544205107 2215219 C1C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 0.624 3 3 0 -5.45100330498741 2215193 CC1=C(C=CC(=C1)Br)OCC(=O)N(CC2=NC(=NO2)C3=CC=CC=C3)C(C)C 1 4.207 3 3 -1.77908362908292 2215189 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=C(O4)Br 1 4.586 2 2 1.86258754100361 2215178 COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.507 3 7 0 -13.4609666425876 2215171 CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)CC3=CC=C(C=C3)OC 1 3.267 4 4 0 -19.0116855224369 2215170 COC1=CC=CC(=C1OCC=C)CNN2C=NNC2=S 1 2.034 4 2 -11.5782351218999 2215164 C=CCNC(=S)NNC(=O)COC1=CC(=CC=C1)Cl 1 2.536 3 2 -12.7455500317124 2215161 CCCS(=O)(=O)C1=NN=NN1C2=CC(=CC=C2)OC 1 1.64 4 3 0 -19.3857608658155 2215160 CCCCC1=NC(=NN1)SCC(=O)NC2=NN=C(S2)CCCC 1 3.443 6 1 0 -16.4684339060227 2215153 CCOC1=C(C=C(C(=C1)CNCC(C)C)Cl)OCC(=O)NC2=CC=CC=C2 1 4.176 2 3 -8.73544622331085 2215150 CC1(CC(CC(N1)(C)C)NC(=O)C(=O)NCC2=CC=C(C=C2)OC)C 1 1.034 3 3 0 -17.2235375683726 2215147 COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Br)OCC3=CC=CC=C3F 1 3.955 4 2 -7.26108334168524 2215139 COC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C4=CC=CC=C4 1 3.1 4 2 8.43799639976588 2215137 CC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3 1 3.005 1 4 -8.39749848757806 2215125 COC1=CC(=C(C=C1)OC)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3Cl)NC(=O)C4=CC=CO4 1 3.777 4 5 0 -10.2034964319773 2215090 CSC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)N 1 2.709 2 1 -1.87928547891498 2215072 CCCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC=C 1 4.507 3 1 -2.35524326035316 2215058 COC1=C(C=CC(=C1)CNN2C=NNC2=S)OCC=C 1 2.034 4 2 -14.0512781523311 2215056 COC1=CC(=C(C=C1)OC)N2C(=NC3=CC=CC=C3C2=O)CNC4CCN(CC4)CC5=CC=CC=C5 1 3.743 4 3 0 -0.567879754168503 2215050 CCOC(=O)C(C(=O)OCC)N(C#N)C1=NC(=CC(=N1)C)C 1 1.072 4 4 0 -7.5038640777889 2215048 COC1=C(C=CC(=C1)CNCCO)OCC(=O)NC2=CC=C(C=C2)Br 1 2.18 2 4 -7.97300716843673 2215046 CC1=C(SC(=N1)C)C2=CSC(=N2)NC3=CC(=C(C=C3)C(=O)O)O 1 2.365 3 3 8.27024230389065 2215042 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NCCC3=CC=CC=C3 1 3.135 3 1 0.682262428475201 2215037 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCOC 1 2.367 2 4 -12.2726440635755 2215035 CCOC1=CC=CC=C1OCC2=NN3C(=NN=C3S2)COC4=CC=CC=C4 1 3.381 4 3 0 -7.70011839697829 2215010 CCCCCC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 5.206 3 3 -2.67799401136193 2215009 CCOC1=CC=C(C=C1)NC(=O)NCCC2=CC(=C(C=C2)OCC)OCC 1 3.848 2 4 -11.6981365043831 2215003 CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CO3 1 3.669 4 3 0 -12.6581356404085 2215000 C=CCOC1=CC=C(C=C1)CNC2=CC3=C(C=C2)NC(=O)N3 1 2.685 3 2 -14.9267915064639 2214999 C=CCOC1=C(C2=CC=CC=C2C=C1)CNN3C=NNC3=S 1 2.959 4 1 -6.89127441673112 2214994 COC1=C(C(=CC(=C1)CNC2=NC=CS2)Cl)OCC=C 1 2.995 2 2 -8.12096779119767 2214985 C1CCC(C1)(C2=CC=C(C=C2)Br)C(=O)NCC3=CC=CO3 1 4.006 1 2 -9.11631838747904 2214944 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl 1 5.142 3 2 -1.65457938091425 2214939 CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)N3CCCC3)N 1 1.246 3 2 0 -7.25539580029124 2214934 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CO5)C6=CC=CO6 1 5.021 4 3 0 3.12850043196204 2214925 CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4 1 3.214 4 3 0 -20.0829293979553 2214921 CC1=CC(=CC(=C1OCC(=O)NNC(=O)C2=CC=CS2)C)Br 1 3.381 2 3 -10.4891594873814 2214919 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)Br 1 1.694 2 4 0 -10.0230311089941 2214914 CCCCOC1=CC=C(C=C1)C2=NC(=S)NN2 1 3.208 3 1 -2.79436741355917 2214891 C=CCOC1=CC=CC(=C1)CNN2C(=NN=N2)N 1 0.627 6 1 0 -10.5854260320643 2214885 COCCN1C=C(C2=CC=CC=C21)C(=S)N3CCCCC3 1 3.953 2 1 -11.1881529064577 2214872 C=CCOC1=CC=C(C=C1)CNN2C(=NN=N2)N 1 0.627 6 1 0 -10.2437853724945 2214862 CCOC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)N 1 2.246 4 2 -17.5816884221283 2214861 COC1=CC(=C(C=C1)NC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)OC 1 3.314 3 3 -8.69145391586142 2214859 COC1=CC=C(C=C1)C2(CCCC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.758 2 4 -12.4534861391827 2214845 C1CCN(C1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=CC=C3)Cl 1 2.864 2 3 -6.50294140808271 2214830 CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CSC3=NC=NN3 1 2.359 4 4 0 -14.6685828975076 2214828 CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4 1 5.368 2 3 -4.82096934115742 2214825 CCCCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC 1 2.575 3 2 -11.6851638689575 2214824 CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(ON=C3C)C)CC=C)C 1 3.737 3 2 -30.2666280868083 2214822 CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC(=C2)C(=O)C)OC 1 1.793 2 5 0 -13.1360671253516 2214811 C1CCCN(CC1)C(=O)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 1 4.673 4 3 0 -1.74616681166721 2214803 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl 1 7.023 3 1 5.88952664453149 2214799 C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4 1 5.787 1 1 -6.77618933506714 2214797 CCOC1=C(C=C(C(=C1)Cl)CNCCCN2CCOCC2)OC 1 2.236 2 3 -4.57209266794138 2214793 CCOC1=C(C(=CC(=C1)CNC2=CC3=C(C=C2)NC(=O)N3)Br)OCC=C 1 3.766 3 3 -17.8246702748371 2214736 CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NCC4=CC5=C(C=C4)OCO5 1 4.609 3 3 -14.6404094641266 2214726 CCCCC12CNCC(C1=O)(CNC2)C 1 0.994 2 1 0 -8.03323877032706 2214694 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O 1 5.121 2 4 -2.17428673488715 2214687 CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)OCC(=O)OC 1 2.958 2 5 0 -15.3236357503578 2214684 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2 1 2.917 3 3 -13.4049656034639 2214681 COC1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3 1 2.274 2 5 0 -11.7517794272328 2214676 CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C 1 2.668 3 3 -5.93084966100711 2214667 CCCCOC1=C(C=C(C=C1)Cl)CSC2=NN=CN2N 1 3.345 4 1 -7.72003357925045 2214653 COC1=C(C=C(C=C1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)Cl 1 3.719 4 2 -6.55707553478757 2214635 CCCCOC1=C(C(=CC=C1)OCCCC)C(=O)NC2=NOC(=C2)C 1 4.378 2 4 -15.8936790055986 2214619 C=CCOC1=CC=CC(=C1)CNN2C=NNC2=S 1 2.05 4 1 -10.6592769010408 2214598 CCCCC(=O)NNC(=S)NCC1=CC=CC=C1 1 2.918 3 1 -14.4701921258408 2214584 C1CCC(C1)OC2=CC=C(C=C2)CNCCO 1 2.214 1 2 0.175796913331959 2214578 CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CNC(=O)C3=CC=CC=C3 1 2.707 4 3 0 -15.9304658845516 2214576 C1=CSC(=C1)C2=CSC(=N2)NC3=NC=C(C=C3)Cl 1 3.693 3 0 8.39746934742241 2214566 CC(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CO2)Br 1 3.846 3 4 0 -8.8450026625624 2214552 CC1=CC(=CC(=C1OCC(=O)NNC(=O)C2=NNC(=C2)C)C)Br 1 2.445 4 3 0 -10.5698713630877 2214545 CC1=C(C=C(O1)C2=CC=C(C=C2)F)C3=NN4C(=NN=C4S3)C5=CC=CO5 1 4.038 4 2 4.55792521866711 2214536 COC1=CC=CC=C1C(=O)NNC(=O)CCC(=O)NCC2=CC=CC=C2 1 1.198 3 4 0 -20.3046909811262 2214529 CC(C)CCSC1=C(C=C(C(=N1)N)C#N)C#N 1 2.891 4 0 -8.85403805094928 2214520 CCC1=CC=C(O1)CCC(=O)NC2=CC=C(C=C2)Br 1 3.64 1 2 -5.96641826321968 2214483 CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)OC)Cl)CN3CCOCC3 1 1.722 5 3 0 -16.5245493787251 2214458 CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4)OC 1 4.876 3 3 -4.84095460439115 2214455 CC1CCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)OC 1 1.98 2 3 0 -14.3107761276425 2214430 COC1=C(C(=CC(=C1)Br)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)C5=CC=C(C=C5)F)O 1 5.25 1 4 -7.01329616880691 2214416 COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.672 3 6 0 -12.6758016916714 2214415 CN(C)C1=NC(=NC(=N1)N)CSC2=C(C=C(C=N2)Cl)Cl 1 2.514 6 0 -3.54636077761349 2214409 COC1=CC=C(C=C1)C2=NC(=NN2)SCC=C 1 3.178 3 1 -0.852419054727033 2214403 CC(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CS2)Br 1 4.404 3 3 -9.83600298694185 2214399 CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CSC3=NC=NN3 1 2.772 4 3 0 -18.6644343181944 2214373 COC1=CC=C(C=C1)N2CCN(CC2)CC3=NC(=NO3)C4=C(C=C(C=C4)Cl)Cl 1 4.428 4 2 8.15145426621565 2214329 C1CCN(C1)C2=NC(=NC(=N2)OC3=CC=C(C=C3)C#N)NC4=CC=C(C=C4)F 1 4.069 6 1 0 -0.598415853601893 2214310 COC1=CC=CC(=C1OCC=C)CNC2=CC3=C(C=C2)NC(=O)N3 1 2.669 3 3 -15.8381201925931 2214308 CC1CCN(CC1)CC(=O)NC2=CC=C(C=C2)OC 1 2.109 2 2 -7.61638412324698 2214306 CC1=C(C=C(O1)C2=CC(=CC(=C2)Cl)Cl)C(=O)NCCC3=CC=CC=C3 1 5.33 1 2 1.86029557066592 2214282 C=CCOC1=CC=CC=C1CNN2C(=NN=N2)N 1 0.627 6 1 0 -10.5356181249649 2214281 CCCCOC1=C(C=C(C=C1)Cl)CSC2=NNC(=N2)C 1 4.473 3 1 -3.90568125014738 2214269 CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)NC(=O)C(C)C)OC)Br)OCC=C 1 5.136 2 4 -22.949874017971 2214261 CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 4.324 3 4 0 -4.83087471660041 2214258 CC(C)C1=CC(=C(C=C1)OCC(=O)NN2C(=O)C3=CC=CC=C3C2=O)Br 1 3.473 2 4 -5.01256932506345 2214231 C1CN(CC2=CC=CC=C21)CCCNC(=O)NC3=CC=C(C=C3)Cl 1 3.47 3 1 -7.72233354656832 2214229 CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)C)CNC(=O)C3=CC=CS3 1 3.557 5 2 0 -22.1437689003641 2214216 C1=CC=NC(=C1)C(=O)OCC2=CC(=C(C=C2)Cl)Cl 1 3.875 1 2 -2.77722127046767 2214213 C1COCCN1C(=O)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CS4)C5=CC=CS5 1 4.104 4 2 -7.98484959533596 2214206 C1=CC=NC(=C1)C(=O)OCC2=C(C=C(C=C2)F)Cl 1 3.416 1 2 -2.51725202156607 2214201 CC1=C(C=C(O1)C2=CC(=C(C=C2)Cl)Cl)C(=O)NCCC3=CC=C(C=C3)OC 1 5.314 1 3 2.09077620060364 2214195 COC1=C(C=CC(=C1)C=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 1.961 1 6 0 -15.0393875462725 2214185 CCOC1=C(C=CC(=C1)CNC2=NC=CS2)OCC=C 1 2.679 2 2 -11.0308953075853 2214183 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)C4=CC=C(C=C4)O 1 3.071 4 4 0 -2.02016030496006 2214181 CC(C)(C)NC(=O)CSC1=NC(=O)C=C(N1)C2=CC=CC=C2 1 2.193 3 2 -19.640799572187 2214167 CCOC1=C(C=C(C=C1)CCNC(=O)NC2=CC(=CC=C2)OC)OCC 1 3.499 2 4 -11.4293878655524 2214141 CC(=O)NC1=C(C=C(C=C1)Br)C(=O)C(=O)O 1 1.214 1 4 0 -6.077795879727 2214138 CC(=O)NC1=CC=CC(=C1)C2=CSC(=N2)NCCC3=CC(=C(C=C3)OC)OC 1 3.102 3 3 -0.72125453679983 2214119 CCN1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.183 3 3 0 -7.23403998627321 2214100 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=O)NC2CCCCC2)C 1 2.369 4 3 0 -16.9421621101696 2214083 CCCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N 1 2.744 4 2 -5.62217994327067 2214080 COC1=CC=C(C=C1)N2CCN(CC2)CC3=NC(=NO3)C4=CC=CC=C4 1 3.1 4 2 8.22478317859291 2214070 C=CCOC1=CC=CC(=C1)CNC2=CC=CC(=C2)C(=O)O 1 3.452 1 3 -9.58082706268808 2214048 C1=CC=C(C=C1)C(=S)NC(=O)NCCO 1 1.177 2 2 0 -6.03897693612313 2214047 CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)NC(=O)C(C)C)Br)OCC=C 1 5.153 2 3 -18.8379119227346 2214036 CCNC(=S)NC(=NCC1=CN=CC=C1)NC2=NC(=CC(=N2)C)C 1 2.169 7 0 0 -10.6174666392431 2214033 C=CCOC1=CC=CC(=C1)CNC2=CC3=C(C=C2)NC(=O)N3 1 2.685 3 2 -15.4082700702554 2214031 CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)F)C)CCCOC3=C(C=C(C=C3)Cl)Cl 1 5.818 4 2 -13.8890813931828 2214022 CC(C)N(CC1=NC(=NO1)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CS3 1 3.755 3 2 -1.36142364812189 2214016 CCOC1=CC=CC(=C1OCC=C)CNC2=NC=CS2 1 2.679 2 2 -8.40404425884276 2214004 C1CN(CCN1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-] 1 3.937 4 4 0 0.419841678261091 2213981 CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)N3CCC4=CC=CC=C4C3)NC(=O)C5=CC=CO5)C 1 4.405 4 3 0 -10.3903544245127 2213952 CNC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC 1 1.344 2 5 0 -8.98438014824519 2213917 CC1(CC2=C(C(=C(C(=C2CO1)SC)C#N)N)C#N)C 1 1.844 3 1 0 -7.84723483703124 2213906 CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC3=C(SC=C3)C(=O)OC 1 2.731 5 3 0 -27.2481791586059 2213898 COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Br)OCC=C 1 2.782 4 2 -11.6410426311574 2213888 COC1=C(C=C(C=C1)N(CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)OC 1 3.741 2 5 0 -20.7787586240452 2213884 COC1=CC=CC(=C1)N(CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C 1 2.18 2 4 -16.0527893297177 2213881 CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 2.09 4 5 0 -7.72524935737702 2213879 COC1=CC=CC(=C1OCC=C)CNC2=CC=C(C=C2)C(=O)O 1 3.436 1 4 -10.4855017209044 2213865 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)CSCC3=CC=C(C=C3)F 1 2.322 2 3 -17.2278664245506 2213853 CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)CCCOC3=C(C=C(C=C3)Cl)Cl 1 5.648 4 2 -10.6641504528898 2213852 C1CCCN(CC1)CC(=O)NCC2=CC=CC=C2 1 2.336 2 1 -9.88982648919544 2213840 CN(CCC#N)C(=O)COC1=C(C=C(C=C1)Br)Cl 1 2.47 2 2 -8.47306398610833 2213836 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 1.373 4 6 0 -21.1281227449681 2213827 CCN1C(=NN=C1SCC2=CC=C(C=C2)C)CC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 5.456 4 1 -13.2218680580893 2213825 C1CCC2=C(C1)C(=NO2)C(=O)NC3=CC=CC=C3C(=O)N4CCOCC4 1 1.982 3 4 0 -20.258676187085 2236205 CC1=C(C=C(O1)C=NNC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)Br 1 2.621 4 6 0 -14.8289609191489 2236145 CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)OC)C(F)(F)F 1 3.387 3 2 -9.86012305444879 2236132 C1COCCC1(C2=CC=CC=C2)C(=O)N 1 0.973 1 2 0 -6.61527289063567 2236117 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C(C)C)S(=O)(=O)C3=CC=C(C=C3)F 1 3.531 3 3 3.8464727750073 2236115 C1=CC=C(C(=C1)CC(=O)ON=C(C2=CC(=CC=C2)Br)N)[N+](=O)[O-] 1 3.064 3 4 0 -2.3674819654741 2236092 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC4=C(C=C3)OCO4)Cl 1 2.467 2 6 0 -23.8142241409205 2236068 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)CCC2=CC=CC=C2 1 3.062 3 3 -16.4366558227019 2236064 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(CC3=NC(=NO3)C4=CC=CC=C4)C5CCCCC5 1 5.48 4 3 0 -1.36693891105081 2236026 CCC(=O)N1CC2(CN(CC(C1)(C2=O)C3=CC=CC=C3)C(=O)CC)C4=CC=CC=C4 1 2.615 2 3 -7.36677082154071 2236025 CC1=C(N(C(=O)N1C2=CC=CC=C2)C)NC(=O)NC3=C(C=CC(=C3)OC)Cl 1 3.115 4 3 0 -7.96283069988951 2236013 C1CCN(CC1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3 1 4.235 1 2 -0.410848401893119 2236004 CC1=CC=C(C=C1)N2C3=C(C(=O)NC2=S)C(NC(=O)N3)(C(F)(F)F)C(F)(F)F 1 4.187 4 2 -2.66068217094758 2235995 COCC1=NN2C(=C(C=NC2=C1C3=CC=CC=C3)C#N)N 1 1.312 5 1 0 -4.31057318144984 2235987 CC1CCN(CC1)C2=NC(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/S2 1 3.319 2 3 -5.38488481029506 2235970 CC1=CC2=C(C=C1)NC(=C2C3=CC=CC=C3)C(=O)NN=CC4=C(C(=C(C=C4)OC)OC)C(=O)O 1 4.869 3 5 0 -4.54866291633362 2235959 CCN(CC)CCNC(=O)C1=CC=CC=C1C(=O)C2=NC=CN2 1 1.572 4 2 0 -9.48725580631281 2235946 C1CCC2=C(C1)C3=C(C=C(C=C3)OC(=O)C4=CC=CO4)OC2=O 1 4.16 0 5 -12.9435281637422 2235944 CC(C)(C)C(=O)OC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2 1 4.647 0 4 -13.5231121113724 2235942 C#CCOC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2 1 4.509 0 3 -11.5538694826066 2235918 CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl)C(=O)OC 1 5.069 2 4 -12.7372079630207 2235908 C1COCCN1/C=C\C(=O)C2=CC=C(C=C2)Br 1 2.16 1 2 -0.712720682366492 2235840 C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)Cl)C(=O)C4=CC=CS4 1 3.671 3 3 -7.84020715238465 2235838 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCC2=O 1 1.634 1 4 0 -11.5053312525496 2235831 COC1=C(C(=C(C(=C1F)F)C(=O)NC2=C(C(=CC=C2)Cl)N3CCOCC3)F)F 1 3.934 2 3 -6.17514931162904 2235829 CCOC(=O)N1CCN(CC1)CC2=NC(=NO2)C3=CC(=CC=C3)C 1 2.182 4 3 0 5.35280803879877 2235826 CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 0.657 2 7 0 -17.5656421431788 2235821 CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC=CO2)C 1 3.458 3 2 -15.7043967426068 2235787 CC(C)(C)C(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2CCCCC2 1 4.714 3 2 -19.5218631331766 2235786 CN1C(=NN=C1SCCOC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3 1 3.341 4 2 -12.1923804932212 2235773 CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)Br 1 3.568 2 3 -12.7349087355247 2235770 CC1=C(C(=O)N(C(=O)N1C)C)C(=O)C2=CC=C(C=C2)Br 1 2.026 2 3 -10.1837262689918 2235769 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=C(C=C3)OC 1 2.799 5 4 0 -18.4199189896729 2235753 CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C#N)C)[N+](=O)[O-] 1 1.317 5 3 0 -11.1901966770605 2235752 COC1=C(C=C(C=C1)Br)C2=NOC(=N2)C3=CC=CC=C3F 1 4.082 2 2 3.06889491664591 2235745 C1=CC(=CC=C1NC(=O)NCCO)Cl 1 1.071 2 2 0 -4.58078338415712 2235729 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl 1 2.876 4 3 0 -14.8493842476001 2235692 CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=O)C4=C(C=C(C=C4)C#N)F)C 1 5.786 3 2 6.92613839685366 2235691 C1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S(=O)(=O)N4CCOCC4 1 0.141 3 5 0 -18.2552262908967 2235686 CCOC1=C(C=C(C=C1)C)S(=O)(=O)N2C=CC(=N2)C 1 2.732 2 3 -8.41768360370982 2235682 CCCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C 1 3.603 3 2 -11.8136131708467 2235676 COC1=CC=CC(=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)F 1 1.863 2 3 0 -10.0266419669513 2235726 COC1=CC=C(C=C1)CCNC(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)C 1 1.773 3 7 0 -18.7817748118766 2235724 CC1=CC=C(O1)C2=NN(C=C2/C=C(\C#N)/C3=CC=CC(=C3)C#N)C4=CC=CC=C4 1 5.248 4 1 4.89426169218002 2213820 C1=CC(=CC(=C1)Br)NC2=NC(=CS2)C3=CN=CC=C3 1 3.284 3 0 8.01396718437992 2213806 CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CNC(=O)C3=CC=CS3 1 2.734 5 2 0 -25.4826747600673 2213802 CC1=C(C=C(C=C1)Cl)NC2=NC(=CS2)C3=CN=CC=C3 1 3.687 3 0 8.42523903306756 2213791 COC1=CC(=C(C=C1)OC)N2C(=NC3=CC=CC=C3C2=O)CN4CCC(CC4)C(=O)N 1 2.059 4 4 0 -5.13525990076521 2213782 C1=CC=C(C(=C1)NC(=O)CNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)F 1 2.525 2 3 -8.57684526490962 2213760 C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5 1 4.297 4 2 -14.4637088609265 2213755 COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3 1 3.389 2 5 0 -16.69589158994 2213751 CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)COC3=CC4=C(CCCC4)C=C3 1 3.739 5 2 0 -19.0811522625237 2213747 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)C(=O)OCC4=CC=C(C=C4)Br 1 5.241 2 3 -1.425556910665e-002 2213745 CC(C)OC(=O)CSC1=C(C=C(C(=N1)N)C#N)C#N 1 1.743 4 2 0 -15.2450496329409 2213740 CC(C)C(=O)NC1=CC2=C(C=C1)OC(=O)C=C2 1 2.149 1 3 -12.5970435866427 2213734 CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)CCNC(=O)C3=CC=C(C=C3)C 1 5.463 4 1 -16.7671800615477 2213731 COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=C(O3)Br 1 2.741 2 5 0 -8.98582531737983 2213723 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 5.152 3 2 -2.55145124968109 2213721 CCCCC1=NN=C(S1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O 1 3.778 5 3 0 -24.7409409670376 2213709 CC1=C(C=CC=C1NC(=O)C2=CC=CC(=C2)C3=CC4=CC=CC=C4OC3=O)C5=NC6=C(O5)C=CC=N6 1 5.145 3 4 0 3.23727122769516 2213707 CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C)N3CCCCC3 1 3.3 3 2 -3.99837933727135 2213691 C1CCC(CC1)NC(=O)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl 1 2.061 4 3 0 -14.1791567417644 2213682 C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)C(=O)N)C(F)(F)F 1 3.812 3 1 -2.73160697470837 2213661 CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC)OC 1 4.066 2 4 -14.6733271505093 2213647 CN(C)N(CC1=CC=CC=C1)C(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.47 2 2 -3.12275360887035 2213626 COC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)CSC4=CC=C(C=C4)Cl 1 5.106 2 3 7.839834543413 2213607 CN(C)C1=NC(=NC(=N1)NCC2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3Cl 1 3.813 6 1 0 -11.0296172142924 2213570 CN(C1=CC=CC=C1)C(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3F)O 1 3.724 3 3 -13.5093894412868 2213542 CC(C)CCNC(=O)CSCC1=CC=C(C=C1)OC 1 3.002 1 2 -17.2442916114289 2213538 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CO5)C6=CC=CO6 1 4.613 4 4 0 -1.40672193619832 2213532 COC1=C(C=C(C=C1)C=NNC(=O)CC(=O)NCC2=CN=CC=C2)[N+](=O)[O-] 1 0.718 5 5 0 -16.3835830565843 2213524 CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCC2=CC=C(C=C2)OC 1 2.396 2 5 0 -14.3172670745282 2213494 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O 1 3.291 3 7 0 -10.9203579016711 2213460 CCCOC1=CC=CC(=C1)NC(=O)C2=C(OC(=C2)C)C 1 2.865 1 3 -6.84436846266029 2213432 CC1=C(C2=C(O1)C=C(C(=C2[N+](=O)[O-])O)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)OC 1 3.213 2 8 0 -0.483534144954247 2213429 CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC(=C3)C(=O)O 1 3.112 3 7 0 -12.943731673382 2213400 COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2Br)OCC3=CC=C(C=C3)C(=O)O)OC)/C#N 1 4.834 2 6 0 -17.8216489981987 2213357 CCOC(=O)C1=C(NC(=O)N1)CSC2=NC(=CC(=N2)C)C 1 0.687 4 3 0 -16.062540893674 2213353 CC1=CC=CC=C1NC(=O)/C(=C\C2=CN=CC=C2)/C#N 1 2.257 3 1 -14.4258967892338 2213323 CCCCC1CCC(CC1)C2=NC(=NO2)C3=CN=CC=C3 1 4.077 3 1 -0.42596841636903 2213274 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC3=CC=CC=C32)OC 1 3.818 1 3 -8.94328904050415 2213253 COC1=CC(=C(C=C1)NC(=O)C(=O)NNC(=O)COC2=CC=C(C=C2)Cl)OC 1 1.604 3 6 0 -13.0171615968054 2213249 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C(=O)N2CCCCC2 1 2.084 3 3 -8.20469992947168 2213235 C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=C(C=CC4=CC=CC=C43)O 1 4.578 2 1 14.2695812239307 2213200 CN1CCN(CC1)C(=O)/C(=C/C2=CC=CC=C2F)/NC(=O)C3=CC=CC=C3 1 2.363 3 2 -13.9045045866698 2235606 CCOC1=CC=CC=C1NC(=O)NC2=C(N(C(=O)N2C)C3=CC=CC=C3)C 1 2.799 4 3 0 -12.7281248329236 2235625 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OC3=CN=CC=C3 1 2.141 1 4 -9.70122849579167 2235649 CC1=NC2=C(S1)C=C(C=C2)NC3=CC=NC=C3 1 2.574 3 0 2.46800999342615 2235641 CC1=CC=C(C=C1)N(CC(=O)N2CCCC2)S(=O)(=O)C3=C(C=CC(=C3)C)OC 1 3.206 2 4 -13.792576372649 2213117 CCCCOC1=C(C=C(C=C1)Cl)CSC2=NN=C(N2N)CC 1 4.273 4 1 -10.0768567010485 2213168 C1=CC(=CC=C1C(=O)NCCCCNC(=O)C2=CC=C(C=C2)F)F 1 2.948 2 2 -8.09445366482369 2213160 C1CCC(CC1)NC(=O)C(=O)NNC(=O)COC2=CC=C(C=C2)Cl 1 1.919 3 4 0 -10.8304287766701 2213124 CCN1C(=NN=C1SCC(=O)N2CCCC3=CC=CC=C32)C4=CC=CS4 1 4.083 4 1 -16.9844599631363 2213106 C1=CC(=CC=C1OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3)Br 1 3.268 1 4 -8.03215954209268 2213080 COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCOCC4)Cl 1 3.298 5 3 0 -16.8864259255072 2213077 CC1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)NCC4=CC5=C(C=C4)OCO5 1 4.264 4 3 0 -15.9576816431258 2213076 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NCC3=CC=CC=C3 1 2.814 3 1 0.859007903181653 2213073 C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 1 4.763 3 3 -0.572393149781424 2213056 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl 1 5.519 5 2 0 -2.13555999750509 2213048 CC1(CC(CC(N1)(C)C)NC(=O)CC2=C(C=CC3=C2C=CC(=C3)Br)OC)C 1 3.453 2 2 -9.91231027927312 2213045 CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2OC 1 2.35 3 4 0 -15.5359985886894 2213039 CC1=CC=CC(=C1)C(=O)NCCC2=NN=C(N2C)SCC(=O)NC3=NC(=CS3)C 1 2.118 6 2 0 -21.8013660068635 2213031 CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C(=O)O 1 4.905 4 5 0 -19.8953095732026 2212990 CCOC1=CC=CC(=C1OCC=C)CNC2=NC=NN2 1 1.984 4 2 0 -10.7543123063704 2212987 CC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3)O 1 4.701 3 3 -8.90093391075916 2212958 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCO 1 1.963 2 4 0 -13.8367131012691 2212953 CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=C(C=C2)C(=O)OC)OC 1 1.908 2 6 0 -13.3416692144715 2212928 C1OC2=C(O1)C=C(C=C2)C3=NN4C(=NN=C4S3)C5=CC=CC=C5Cl 1 3.811 4 2 -2.33588249973071 2212919 C1CCN(C1)CC(=O)NC2=CC=CC=C2Cl 1 2.081 2 1 -4.2406958647148 2212896 CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2C)CCCC3=CC=C(C=C3)OC 1 3.255 5 2 0 -14.4339938242476 2212864 C1CN(CCN1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4 1 4.558 3 1 -2.16786972896696 2212841 CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC4=C(O3)C(=CC=C4)OC 1 3.63 4 3 0 -13.9118764791649 2212833 CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(S3)C 1 4.625 3 1 -15.7353789798027 2212821 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC4=CC=CC=C4O3 1 3.845 4 2 -7.59616406053411 2212798 CC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C(=O)NC4=NC=CS4)Cl 1 5.541 5 1 -16.6484699528332 2212789 CCCCC1=NN=C(S1)NC(=O)CSC2=NC(=O)C=C(N2)N 1 1.185 6 2 0 -22.3566736606458 2212788 C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CCNC(=O)C3=CC=CS3 1 4.29 4 2 -21.0530059507753 3570436 CC1CC2=C(C=CC(=C2)OC)C(=NNC(=O)C3=CC=CO3)C1 1 3.076 2 3 -7.01733997599722 3570397 CCC(C)NC1=NC(=CS1)C2=CC3=C(C=C2)OCC(=O)N3 1 2.15 3 2 -8.18486878783008e-002 3570389 CCCCNC(=S)NNC(=O)C1=CSC2=C1CCC(C2)C 1 4.045 3 1 -16.3668356214055 3570317 CCN1C(=O)C2=C(C(=C(N2CCCOC)N)C3=NC4=CC=CC=C4O3)C(=N1)[N+](=O)[O-] 1 1.909 6 5 0 -5.27629363303467 3570314 CCCCCN1C2=C(C(=C1N)C3=NC4=CC=CC=C4S3)C(=NN(C2=O)C)[N+](=O)[O-] 1 3.972 6 3 0 -3.18173795800911 3570250 CC1=CC2=C(C=C1)NC(=O)C3=C2SC(=C3)C(=O)NC(C)C 1 2.968 2 2 -16.4755401651887 3570207 CC1=C(C=CC(=C1)OCC(=O)NN2C(=O)C3C4CCC(C3C2=O)C4=C(C)C)Cl 1 3.279 2 4 -6.44563752398149 3570203 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)N 1 2.275 3 5 0 -17.3003667924438 3570131 C1=CC(=CC(=C1)O)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=NC=CS4 1 3.061 3 2 0.80235001411126 3570124 C1CCC2(CC1)N=C3C(=[N+]2[O-])C=CC(=C3N4CCCCC4)[N+](=O)[O-] 1 2.019 4 3 0 -1.32926642445681 3570121 CCN=C1N(C2=CC=CC=C2S1)CC(COC3=CC=CC=C3)O 1 3.835 2 2 -3.70845214659371 3570105 CN1C2=CC=CC=C2N=C1C3=C(N(CC3=O)NC(=O)C4=CC(=CC=C4)OC)N 1 1.539 5 3 0 -8.32450892757776 3570020 CC1=CC2=C(C=C1)NC(=O)C3=C2SC(=C3)C(=O)NCC4CCCO4 1 2.6 2 3 -16.9134597652462 3569860 C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-])C#N 1 3.256 3 2 -3.92184754753773 3569800 C1=CC=C(C=C1)N2C(=C(C=N2)C3=CC(=CC=C3)Cl)N 1 3.617 3 0 5.19589080030153 3569695 CC(=NNC(=S)NCCOC)C1=CC=CC=C1OC 1 2.064 3 2 -14.5626719000997 3569593 C1CNC(C2=CC=CC=C21)C3=C(C(C(CC3=O)C4=CC=C(C=C4)F)N5C=NC=N5)O 1 2.547 4 2 -14.9252200678101 3569592 COC1=C(C=C(C=C1)C(CC(=O)O)N2CC3=CC=CC=C3C2=O)OC 1 2.306 1 5 -12.5698817207194 3569590 C1=CC=C(C(=C1)N=C(C2=CC(=CC=C2)[N+](=O)[O-])NO)Cl 1 3.24 3 3 0.431333967451949 3569553 CCC(C)(C(=O)NC1CCCC1)N(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)CC4=CC=CS4 1 3.683 4 3 0 -24.5108120331713 3569549 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)C3=CC=CC=C3 1 2.632 2 4 -22.4267910623743 3569547 C1CCC2=C(N=C(N2CC1)C3=CC=CC=C3)C(=O)NN 1 2.1 4 1 -2.63347265838134 3569531 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NC3=CC=CC=C3N2CCN4CCCCC4 1 2.769 7 3 0 -7.72658686109578 3569528 CCCCCCCNC=C1C(=O)CC(CC1=O)C2=CC=CC=C2 1 3.692 1 2 -13.5651098137119 3569467 C1=CC(=CC=C1C(=O)NN=C(CCC(=O)O)C2=CC=C(C=C2)Br)F 1 3.463 2 3 -7.89597056148564 3569453 CC(=O)COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)Cl 1 1.803 1 4 0 -18.8260701763013 3569399 CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)NC3=CC=CC=C3C(=O)OC 1 3.162 2 4 -12.8947970190981 3569398 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)C(C)NC(=O)N 1 0.966 3 5 0 -15.9293345597629 3569243 C1CC2CC1CC2CC(=O)OCC(=O)NC3=C(C=CC=C3F)F 1 3.116 1 3 -2.71604196702793 3569217 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4C5=CC=CC=C5)SCC6=CC=C(C=C6)F 1 5.725 4 1 -14.9080081153785 3569182 CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)C 1 3.656 1 2 1.65185574267477 3569167 CC1CCCCN1C(=O)C2=C(C=NN2C)Cl 1 2.144 3 1 -7.85067853954217 3569151 CC1=CC=CC(=C1)C(=O)NN2S(=O)(=O)C3=CC=CC=C3S2(=O)=O 1 1.588 2 5 0 -4.65524274397892 3569112 CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C(C)(C)C)C#N 1 1.192 3 2 0 -16.8999378760964 3569109 CCCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=C(C=CC(=C2)OC)OC)O 1 3.927 1 5 -8.88594493418736 3569010 CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=CC=C2)O 1 2.98 1 3 -7.59484257939226 3568902 CC(C)OC(=O)C1=CC(=COC1=N)C(=O)C2=C(C=CC(=C2)Cl)O 1 2.706 1 5 -1.77553889425628 3568895 CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCC2COC3=CC=CC=C3O2)[N+](=O)[O-] 1 2.113 3 6 0 -10.2112102164928 3568879 CC1=CSC(=C1NC(=O)CC2=CC=CC=C2)C(=O)OC 1 2.944 1 3 -9.12011900361123 3568849 CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CC(OC(C3)C)C 1 1.482 5 3 0 -16.4399789438612 3568842 C1CN(CC2=CC=CC=C21)CCCNC(=O)CCN3C(=O)COC4=CC=CC=C43 1 1.993 3 3 0 -17.6395048751462 3568790 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 0.328 4 6 0 -25.3904644883094 3568622 C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2Cl)[N+](=O)[O-] 1 3.232 4 4 0 -11.7591463175553 3568545 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Br)N 1 2.319 2 2 -0.711110240327566 3568528 CN1C=NC(=C1[N+](=O)[O-])SC2=NC=NC3=C2NC=N3 1 1.071 7 2 0 -4.0551458333444 3568514 C1CN(CCC1C2=CC(=NN2)C3=CC=C(C=C3)Cl)C4=C(C=CC=N4)[N+](=O)[O-] 1 4.612 5 2 0 5.50751750842565 3568513 COC1=CC(=C(C=C1)OC)C2=NNC(=C2)C3CCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-] 1 3.915 5 4 0 0.923723012912042 3568512 CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=CC(=NN3)C4=CC=C(C=C4)Cl)[N+](=O)[O-] 1 4.963 4 3 0 2.80229642946949 3568495 CC1=CC(=C(C=C1)C2=C(SC(=N2)C3=CC=C(C=C3)Cl)CC(=O)O)C 1 5.75 1 2 6.39523518606921 3568421 C1CC2=CC=CC=C2C(=NNC(=O)COC3=CC(=CC=C3)Br)C1 1 4.029 2 2 -7.39748352551886 3568282 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC=C3OC 1 2.132 2 4 -16.163711410147 3568217 C1C(SC2=CC=CC=C2N=C1C3=CC=CO3)C4=CC=C(C=C4)F 1 5.095 1 1 2.22348834372439 3568222 CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(C)C4=CC=CC=C4 1 5.317 3 1 -3.70525451220612 3568182 CC(=NNC(=O)CNC(=O)C1=CC(=C(C=C1)OC)OC)C2=CC=CO2 1 1.086 3 5 0 -16.3629498607044 3568147 CC12CN3CCN(C1)CC(C3)C2=NNC(=O)NC4=CC(=CC=C4)Cl 1 1.766 5 1 0 -3.42009078305034 3568006 CC(C(=O)NC1CCCC1)OC(=O)C2=C(C=C(C=C2)SC)OC 1 3.156 1 4 -8.04140804061977 3567993 C#CCSC1=NC=C(C=N1)C2=CC=CC=C2 1 3.824 2 0 -1.113398141369 3567992 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2N=CC=C3 1 3.952 3 1 -10.5733691599017 3567991 C1=CC=C(C=C1)C(C#N)C2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F 1 5.211 3 0 0.72675174251563 3567990 C1CCN(CC1)C2=CC(=C(C=C2Cl)[N+](=O)[O-])N 1 2.721 3 2 0.368451612393052 3567960 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=C(N=CC=C3)Cl 1 1.83 2 5 0 -12.0080230061868 3567954 COC1=CC(=C(C=C1)C(=O)NC2=C(N=C3N2C=CC=C3)C4=CC=CC=C4)OC 1 3.808 3 3 -4.39753301251419 3567933 COC1=CC=CC(=C1)NC(=O)N2CCC3=CC=CC=C3C2 1 2.793 2 2 -8.91485052878218 3567924 CC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OC)C3CCS(=O)(=O)C3 1 2.804 1 4 -11.9139610256689 3567902 COC(=O)COC1=C(SC=C1)C(=O)OC 1 1.329 0 5 0 -10.1614196804654 3567900 CCOC(=O)CN1C(=O)N(C=N1)C2=CC=C(C=C2)OC(F)(F)F 1 3.295 3 4 0 -5.79573256268932 3567878 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-])Cl 1 1.202 4 7 0 -20.7505132050348 3567868 CCCC(=O)NC1=C2CSCC2=NN1C3=CC=CC=C3 1 2.941 3 1 -8.75499362155905 3567787 C1=CSC(=C1)C2=CSC(=N2)NC(=O)C3=CC=C(S3)Cl 1 3.924 2 1 2.95342544578653 3567758 CC1CCC(CC1)NCC(C2=CC=CC=C2)O 1 2.967 1 1 -3.00504823320659 3567690 CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 -0.412 3 7 0 -21.0071482428005 3567682 CC(C1=CC=CO1)N(CC2=CC=CO2)C(=S)NC3=CC(=CC=C3)OC 1 5.046 2 3 -8.33795127167768 3567660 CC1CCCCN1CC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C 1 4.908 1 2 -5.60032243431074 3567625 C1=COC(=C1)C=NNC2=NC(=O)C(S2)CC3=CC=C(C=C3)F 1 3.591 3 2 -3.41898587387114 3567595 CN1CCN(CC1)CCCNC(=O)CCN2C(=O)COC3=CC=CC=C32 1 0.292 4 3 0 -12.3505534197942 3567576 C1=CSC(=C1)C2=NC(=NC=C2)NC(=O)C3=CC=CS3 1 3.21 3 1 -6.81686863249642 3567502 CC1=C(C(=C(S1)NC(=O)C2CCCCC2C(=O)O)C(=O)N)C3=CC=C(C=C3)C(C)C 1 3.908 2 4 -5.27667863075902 3567489 C1CC2=CC=CC=C2C3(C1)C(=O)N(C(=O)N3)CCOC4=CC=C(C=C4)Br 1 4.095 2 3 0.558421890861534 3567443 C1CCC2=NC3=C(N2CC1)C=CC(=C3)[N+](=O)[O-] 1 2.874 3 2 -2.59388068850838 3567408 C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(C(=O)N2CCOCCO)O)C(=O)C3=CC=CS3 1 1.563 2 7 0 -22.6016638866116 3567386 CC1=CC(=CC=C1)CSC2=NC3=CC(=C(C=C3C4=NC(=O)CN42)OC)OC 1 4.004 3 3 -12.9941085467875 3567379 C1CS(=O)(=O)CC1NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 -0.533 3 6 0 -22.7305866046898 3567340 CCCC(=O)NCCC1=CC2=C(C(=C(C=C2)C)C)NC1=O 1 2.756 2 2 -16.1208636740202 3567291 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br 1 5.119 3 2 -9.50096737633823 3567203 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC3=C(S2)C=C(C=C3)OC 1 3.087 2 4 -7.80084611800654 3567169 CC(C)CNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2Cl 1 3.668 4 6 0 -14.0657116620272 3567095 CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCCC4)[N+](=O)[O-] 1 3.133 4 3 0 -2.22550777651108 3567091 C1=CN(N=C1)C2=NC=C(C=C2)C(=O)NC3=C(C=C(C=C3)F)F 1 2.64 4 1 -3.4802791652115 3567087 COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.144 3 5 0 -21.0542473562179 3567067 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC(=C(N=C3)Cl)Br 1 3.447 2 2 -4.41366643638391 3567025 CC1=CC(=NC2=NC(=NN12)C(=O)NC3CCCC4=CC=CC=C34)C 1 2.714 5 1 -11.6330195812 3566975 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-] 1 2.346 9 3 0 -18.9406654982927 3566969 C1=CC(=CC=C1C=NNC(=O)CN2C3C(NC(=O)N3)NC2=O)F 1 -0.289 6 3 0 -12.206571168573 3566959 COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N 1 1.796 6 4 0 -2.35610771662731 3566915 CC1=CC(=C(C=C1)OCC(=O)NNC(=O)C2=C(OC=C2)C)Br 1 2.19 2 4 -8.34079404259829 3566863 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C(=O)N4 1 0.797 4 4 0 -18.5673050858615 3566815 C1CC1N2C(=O)C3=C(C=CS3)N=C2SCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 2.349 4 4 0 -35.7121667054157 3566810 C1=CC(=CC=C1CCNC(=O)CSC2=NC3=C(C(=O)N2CC(=O)O)SC=C3)S(=O)(=O)N 1 1.341 4 6 0 -38.0588507730241 3566808 CC(C)C(C(=O)NNC(=O)C1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 2.422 4 6 0 -21.1218316761643 3566799 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 0.935 4 5 0 -13.3108226843436 3566763 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC3=NSN=C32 1 2.635 3 3 -5.25982334273887 3566664 C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)OC(=O)C3=C(C=CC=C3Cl)Cl 1 6.976 1 3 -12.9494201524607 3566644 COC1=CC=C(C=C1)C(CC(=O)NC2=C(C=C(C=C2)Cl)F)NC(=O)C(F)(F)F 1 3.812 2 3 -7.50111512523467 3566582 C1CCN(C1)C2=CC(=O)NN=C2C3=CC=CC=C3 1 1.679 3 1 0 -5.85585378635773 3566531 C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CC(=O)NCCCC(=O)N4CCC5(CC4)OCCO5 1 1.085 4 5 0 -36.946660742716 3566429 C1CCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-] 1 2.561 4 2 -3.58659385346733 3566392 CC1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)OC)[N+](=O)[O-] 1 3.384 3 8 0 -27.2849250365434 3566321 C1C(OC2=CC=CC=C2O1)C3=NN=C(O3)SCC(=O)NC4=NC=CS4 1 1.619 4 4 0 -13.3538749695837 3566285 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)[N+](=O)[O-])C4=NOC(=C4)C)O 1 2.536 3 7 0 -19.5594011226206 3566227 CC1=C(C(=CC=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=C(C=CC=C4F)F)C 1 3.85 3 3 -8.88030180826587 3566210 CC(=O)NC1=CC=CC=C1C(=O)C(=O)NCCC2=CC=CC=C2 1 1.948 2 3 0 -15.570575029904 3566166 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=CC=CC=C3SCCC#N 1 2.923 2 3 -13.589631860194 3566101 CC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC3=C(C=CC(=C3)OC)OC)CCC(=O)O 1 4.019 2 5 0 -11.9050350459442 3566085 CC1CCC2=C(C1)SC(=N2)NC(=O)C3CC3 1 2.347 2 1 -8.40939647894634 3565925 CC1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)CCOC 1 3.432 2 2 -12.9316561368386 3565857 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC(=CC(=C3OCCO)Br)Br 1 5.918 0 3 0.778397435366039 3565876 C1C2=CC=CC=C2C(=O)N1C(CC(=O)O)C3=CC=CC=C3F 1 2.544 1 3 -9.73972627836449 3565730 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)CCC2=CC=CC=C2)Cl 1 2.594 2 5 0 -15.2300134407848 3565712 CS(=O)(=O)NNC(=O)CN1C(=O)C2C3CC(C2C1=O)C=C3 1 -1.87 3 5 0 -10.0005794279086 3565709 C1CCN(C(C1)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F 1 3.315 3 3 -12.9467179736746 3565632 C1CN2C(=C(C(=O)N=C2SC1)C(C3=CC=CC=C3)C4=C(N5CCCSC5=NC4=O)O)O 1 3.31 4 4 0 -16.7116198719032 3565538 CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=C(C=C3)OC 1 1.798 6 4 0 -30.4639349639631 3565436 CC(C)NC(C1=CC=CC=C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl 1 4.194 2 1 -9.76851647482738 3565390 CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCC3)S2)CC=C 1 4.012 3 2 -11.5251696648554 3565378 C1CC2C(=O)N(C(=O)N2C1)CCCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 3.2 4 2 7.08771802719707 3565302 CC(C)(C)C(=O)C=C1N(C(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])S1)CC(=O)NC(=O)N 1 3.396 4 7 0 -6.85271231619194 3565291 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)OC)OC 1 3.459 2 5 0 -15.2301992489006 3565281 C1=CC=C(C(=C1)OCCOCCOCCOCCOC2=CC=CC=C2P(=O)(O)O)P(=O)(O)O 1 1.38 0 11 0 -5.45391335906335 3565268 CC(C)C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=CS2 1 3.527 1 3 -10.3964298116418 3565243 CC1=NN=C(S1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=C(C=C3)OC 1 0.627 6 4 0 -28.0392236634269 3565225 CC1=CN2C(=NC(=C2CN3CCN(CC3)C4=CC=CC=C4F)C5=CC=CC=C5)C=C1 1 5.127 4 0 5.80887547324953 3565190 CC(C)(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3C4CCC(C3C(=O)O)O4 1 3.384 1 6 0 -3.20222304594504 3565187 CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC3=CN=CC=C3 1 3.363 2 3 -5.84469792348638 3565166 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC=C)OC)C 1 3.532 4 4 0 -10.5575345964155 3565160 COC1=CC=CC=C1N2C(=O)C3C(C2=O)N(N=C3C(=O)C4=CC=CC=C4)C5=CC=CC=C5 1 4.001 3 4 0 -8.20136519448483 3565057 C1CC(=NC1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.599 3 4 0 -7.16817359946946 3565042 CC1(C(=O)N(C(=O)N1)CC(=O)N(CC=C)CC=C)C2=CC3=C(C=C2)C=C(C=C3)OC 1 2.467 3 4 0 -13.5530240767452 3564985 CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-])C 1 3.873 5 4 0 -17.3105922687766 3564970 CC(C1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2 1 3.613 2 1 -10.8791562036524 3564949 CC(C)(C)N=C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CS2 1 3.167 2 2 -7.69345125318552 3564939 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.157 2 7 0 -13.4259395542883 3564850 CCOC(=O)C(C)SC1=NN=C(N1C2=CC=C(C=C2)Cl)CC3=CC(=O)NC(=O)N3 1 2.612 5 4 0 -18.0546549187105 3564710 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C)C 1 2.386 4 3 0 -14.4942580076628 3564701 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=CO3 1 2.825 4 5 0 -20.0459050301796 3564690 CC(C(=O)NN=CC1=CSC=C1)OC2=CC=C(C=C2)Cl 1 3.329 2 2 -5.38233365225109 3564675 CCC(=O)NC(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCCCO3 1 3.405 1 3 -5.41008040254148 3564632 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)OC)N(C)C)C 1 4.301 3 4 0 -15.3078228190517 3564554 C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3 1 0.681 3 3 0 -12.9925323160854 3564327 C1=CC=C(C=C1)N=C(C2=CC(=CC=C2)[N+](=O)[O-])NO 1 2.576 3 3 -1.42356528895063 3564295 C1=CC(=CC(=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)Cl)C(=O)NN 1 2.156 3 3 -6.44435676158902 3564285 CN(C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC(=CC=C4)Br 1 3.867 2 4 -12.6033812349304 3564283 CC(C(=O)NC1=CC=CC=C1)SC2=NC(=C3C4=C(CSC(C4)(C)C)SC3=N2)N 1 4.371 4 1 -12.9372820974732 3564274 C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 3.338 2 6 0 -10.3913082460716 3564263 C1CCN(CC1)CC2=NC3=C(C4=C(S3)CCC4)C(=N2)Cl 1 3.791 3 0 -2.83848622571377 3564247 C1CC(OC1)CNC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 1.369 2 4 0 -8.31146856618002 3564221 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCCSC4=NN=NN4C5=CC=CC=C5 1 1.92 9 2 0 -20.1726282268217 3564216 CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=CC=CC=C1 1 -0.195 2 4 0 -17.5693003235443 3564202 C1=CC(=CC=C1C(C#N)C2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F)Cl 1 5.875 3 0 4.36445633855757 3564178 CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=C(C=C1)OC)N2CCCC2=O 1 2.13 2 5 0 -13.2094540368338 3564175 CC(C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)N3C(=O)C4=CC=CC=C4C3=O 1 0.494 3 8 0 -29.6156799728245 3564142 CC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC4CCCO4 1 3.041 4 3 0 -8.36044109414909 3564130 CC1=CC(=C(C=C1)OCC(=O)NN=C(C)CC(=O)NCC2=CC=CC=C2OC)Br 1 3.015 3 4 0 -12.4462856701483 3564055 CC1(C(C1C(=O)NN=CC2=C(C=C(C=C2)OC)OC)C=C(Cl)Cl)C 1 3.26 2 3 -4.74475546594814 3563955 CC1=NC(=C(C=C1)C#N)SCC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 3.662 4 1 -6.26230140706 3563940 COC1=CC=C(C=C1)CNC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 1 4.232 4 2 -12.4137941988515 3563927 CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CN3C(=O)CCC3=O 1 9.e-003 4 7 0 -18.6350282892518 3563853 CC1=C(OC2=CC=CC=C12)C(=O)NC3CCCC4=CC=CC=C34 1 4.718 1 2 1.07472021626371 3563848 CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)SC4=CC=CC=[N+]4[O-] 1 3.523 2 4 -13.9278988725164 3563811 C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NCC3=CC(=CC=C3)Cl 1 2.869 2 2 -14.5319299523842 3563808 CC1=CC=C(C=C1)CSC2=NC3=CC(=C(C=C3C4=NC(=O)CN42)OC)OC 1 4.004 3 3 -13.4460493241618 3563807 CC1=CC2=C(C=C1)OCC(N2S(=O)(=O)C3=CC=C(C=C3)OC)C(C)(C)C 1 4.289 1 4 -7.94529350714241 3563806 CC(CS(=O)(=O)CC1=CC=CC=C1)(C(=O)NC2=CC=C(C=C2)C(F)(F)F)O 1 2.849 1 4 -5.58914762406533 3563764 C1COC2=C(O1)C=CC(=C2)NC3=NC(=O)C(S3)CC(=O)NC4=C(C=C(C=C4)F)F 1 3.099 3 4 0 -13.557466709813 3563755 C1=CC=C2C(=C1)N=C(S2)NN=CC3=CC(=CS3)Br 1 4.138 3 0 8.07337944544893 3563739 CN1C2=CC=CC=C2N=C1C=NNC3=NC4=CC=CC=C4N3 1 2.996 6 0 7.99352421988109 3563712 CC(C(=O)NN=CC1=CC(=C(C=C1)OC)OC)N2C3=CC=CC=C3N=N2 1 2.797 5 3 0 -12.9816338289473 3563709 CCCN(CCC)C(=O)CC(C1=CC=CC=C1)C2=C(C=CC(=C2)C)O 1 5.008 1 2 -6.94020678845232 3563571 CC(C)CN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OC(C)COC)N 1 3.092 4 3 0 -14.7345864452091 3563489 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NC4=CC=CC=C4C=C3 1 2.807 3 3 -19.3458589941821 3563400 COC1=CC=C(C=C1)CN2CCOCCOCCOCCOCCOCC2 1 1.051 1 6 0 0.414759260384768 3563300 CC1=CC(=CC=C1)CN2CC(=O)N3C(C2=O)CSC3C(=O)OC 1 1.294 2 4 0 -7.19047572157579 3563299 COC(=O)CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3CC3 1 1.467 1 5 0 -11.9929490041487 3563221 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)OCC4=C(ON=C4C)C 1 2.348 4 6 0 -28.5640620345198 3563218 C1CCC(CC1)NC(=O)C2(CCCCC2)NC(=O)C3=CC=CC=N3 1 3.162 3 2 -15.7613927712841 3563178 COC1=CC=CC=C1CC(=O)NCCC2=CC=CC=C2 1 2.961 1 2 -11.7205144874622 3563041 CC1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SCC=C 1 3.654 2 1 -14.6271756660817 3562966 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4 1 2.672 3 5 0 -14.7137415846459 3562962 C1=CC=C(C(=C1)CNC(=O)CC2=CNC3=CC=CC=C32)F 1 3.155 2 1 -12.2087839301105 3562943 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CC=CS3 1 3.074 2 4 -13.9163412876676 3562938 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N 1 0.725 2 5 0 -18.7928169912242 3562792 CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4 1 3.201 2 6 0 -15.7281350953262 3562617 C1=CC=C(C(=C1)C(=O)NNC2=CC=C(C=C2)[N+](=O)[O-])F 1 2.736 3 3 -6.06200098388465 3562591 C1CN(CC(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)CBr 1 3.587 1 1 -4.51584351378274 3562577 CC1=CC=C(C=C1)OCC(=O)NN=C2C3=CC=CC=C3C4=CC=CC=C42 1 4.338 2 2 -6.01475152262088 3562476 CC1=CC=C(C=C1)NC2=NC(=O)C3=C2C=CC(=C3)[N+](=O)[O-] 1 2.874 3 3 0.879890134869246 3562447 CCC(C(=O)NC1=CC=CC=C1OC)SC2=C(C=CC=N2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-] 1 4.714 3 6 0 -22.494193806491 3562439 CC1=CC=C(S1)C=NNC2=CC=C(C=C2)F 1 3.753 2 0 4.46133593045295 3562421 CC1=C(CSC2(C1)C(=NN(C2=O)C3=CC=CC=C3)N)C 1 2.359 3 1 -1.07947055121338 3562417 C1CN(C(=N1)SCC2=CC=C(C=C2)Br)C(=O)CC3=CC=CS3 1 4.628 2 1 -13.6860443465384 3562364 CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(=N2)C(=O)C3CO3)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.275 3 6 0 -11.7957115200254 3562314 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NCC2=CC=CO2 1 2.88 3 3 -17.1310655717657 3562291 CC1=CC(=C(C=C1)OC)NC2=NN=C(S2)SC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C)OC 1 5.595 4 3 0 -12.9771409840676 3562191 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC3=CC(=CC=C3)C(F)(F)F 1 3.221 1 5 -15.5082204586737 3562149 CCOC1=CC=C(C=C1)N(C(C)C(=O)NN=C2CCCCCCC2)S(=O)(=O)C 1 3.106 3 4 0 -12.6165847768529 3562071 C1COCCN1C2=CC=C(C=C2)C=NNC3=C(C=C(C=C3)F)F 1 3.709 3 1 1.49785208175194 3562031 C1CN(CCC1NC(=O)NC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=C(C=C3)F 1 3.218 3 3 -16.308652147455 3562030 CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=N2)N(C)C 1 4.785 3 0 -7.68781731944826 3562002 C1CCCC(=NN2C(NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl)CC1 1 5.145 3 1 -4.97107288078482 3561992 C1CCC(CC1)NC(=O)C2=CC=CC3=NC4=CC=CC=C4N=C32 1 4.125 3 1 -4.55236627253348 3561936 CC(C)CCNC(=O)C1CCC(=O)N1C(C)C 1 1.337 2 2 0 -17.3204904884987 3561907 CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3N=C2CCCNC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 5.612 3 4 0 -14.0577946194544 3561878 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC(=C(N=C3)Cl)Cl 1 2 3 6 0 -25.9931348978285 3561847 CC1=C(SC(=C1C(C2=CN=CC=C2)N3CCN(CC3)C)NC(=O)C4=CC=CO4)C 1 2.92 4 2 -10.4242819741825 3561813 CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=C(C(=CC=C2)Cl)Cl)[N+](=O)[O-] 1 2.116 4 7 0 -17.5875660546473 3561809 COC1=CC=C(C=C1)NC2=NC(=O)C(S2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.181 3 5 0 -20.0862854976009 3561804 CC(C)CC(C(=O)O)NC(=O)C1=CC(=CC=C1)Cl 1 2.899 1 3 -13.4687147471365 3561796 CC(=O)N1CCC(=NNC2=C(C=C(C=N2)C(F)(F)F)Cl)CC1 1 2.198 4 1 0.494803814645397 3561780 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.66 3 2 -11.6343489467139 3561776 CC1CN(CCN1C(=O)C2=CC(=CC=C2)N3CCCC3=O)C4=CC=CC(=C4)C 1 3.318 3 2 -14.5525719304271 3561774 COC1=CC=CC(=C1)C(=O)NC2=CC=CC3=C2C=CC4=CC=CN43 1 3.63 2 2 -8.1534848793621 3561768 C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)C3=CC=C(S3)Cl 1 3.249 3 1 5.90617279243804 3561766 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C 1 3.647 3 3 -10.2958102637392 3561764 CC1=CC=C(C=C1)C(=O)N(CN2CCCC2=O)C3=CC=CC=C3 1 2.942 2 2 -13.7732193424385 3561502 C1=CC=C(C=C1)N2C(=O)C(SC2=O)CC(=O)NC3=CC=C(C=C3)Cl 1 3.512 2 3 -6.92941294260574 3561295 CCN(C1CCS(=O)(=O)C1)C(=O)COC2=C(N=C(C=C2)C)[N+](=O)[O-] 1 0.501 3 6 0 -18.8265226736388 3561246 C1C(=NN2C(=NN=C2S1)CC3=CC=CC=C3F)C4=CC=C(C=C4)Cl 1 4.624 4 0 -4.59371323235059 3561164 C1=CC(=CC=C1N2C(=C(SC2=S)C(=O)N)N)Br 1 2.859 3 1 -3.20326655585298 3561130 C1CCC(CC1)CC(C(=O)O)N2CCS(=O)(=O)CC2 1 -1.104 1 4 0 -12.1223238835307 3561115 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 3.557 2 5 0 -9.81324020964022 3561100 CC(=O)NC1=CC=CC(=C1)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 4.104 1 2 -7.23786634146198 3561083 CCCCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3 1 5.153 2 6 0 -16.1073200342379 3561082 CCC1(CC(CCO1)(CCNCC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)F)C 1 4.888 2 1 -8.45592643434335 3561054 CCC1=CC=CC=C1NC(=O)C2=CN=C3N(C2=O)CCS3 1 2.166 3 2 -13.7628604795685 3561049 CC1(CC2=C(C(N1)(C)C)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C 1 3.839 4 3 0 -37.8636890009707 3560948 CC1=CC(=CC=C1)N2CC(CC2=O)C3=NC4=CC=CC=C4N3 1 3.028 3 1 -2.95761520919053 3560901 COC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN3CCOCC3 1 0.919 7 4 0 -0.642701560947358 3560876 CN1C(=C(C(=N1)C2=CC=CC=C2)C(CC=C)O)Cl 1 3.248 2 1 0.423976144750515 3560837 CC1(C(=O)N(C(C(=O)N1OCC2=CC=C(C=C2)C(=O)OC)(C)C)OCC3=CC=C(C=C3)C(=O)OC)C 1 2.692 2 8 0 -6.39725281636328 3560789 CC(C1=NC2=CC=CC=C2N1CC3=CC=CC=C3F)NC(=O)C4=CC=CC=C4 1 4.809 3 1 -13.7016132511711 3560784 CCN1C2=CC=CC=C2N=C1SCC(=O)NC(C)C3=CC=CC=C3 1 4.004 3 1 -15.5321107057034 3560709 CON=CC1CCN(C1=O)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.141 3 2 0.604334197327626 3560701 CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=C(C)CCC3=CC=C(C=C3)OC 1 2.721 8 3 0 -26.2810055595692 3560592 C1=CC(=CC=C1C=NNC2=C(C=C(C=C2)F)F)C(=O)O 1 3.489 2 2 -0.6977747881931 3560536 C1OC2=C(O1)C=C(C=C2)C3N(C4=CC=CC=C4C(=O)O3)C(=O)C5=CC(=C(C=C5)Cl)Cl 1 5.374 1 5 -4.02018792524827 3560433 COC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OCC(F)(F)F 1 3.002 2 6 0 -21.2976953654826 3560411 CCC(C)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC(=C2)C)C)NC(=O)C3=CC=CC=C3 1 2.944 5 4 0 -29.383930268313 3560377 CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=C(C(=CC=C4)[N+](=O)[O-])O)S2)C 1 4.105 3 6 0 -24.3466482148483 3560354 C1CN(CCN1C2=CC=CC=C2)C3=NC=C(S3)C=NO 1 2.116 4 1 7.08900146350976 3560325 COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=NC4=CC=CC=C4S3)OC 1 2.501 5 5 0 -23.8679401508554 3560290 CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C 1 6.003 3 2 -9.988636410852 3560269 C1=CC=C(C=C1)C(=O)NC(C2=NNC(=O)C3=CC=CC=C32)C(=O)NN=CC4=C5C=CC=CC5=CC6=CC=CC=C64 1 4.428 5 3 0 -16.6090298879414 3560206 CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(C=C2)C(=O)OC)S1)C)C 1 2.514 2 5 0 -14.0985666143102 3560125 CC1=CC(=O)N(C(=N1)N=CN(C)C)CC2=CC=C(C=C2)[N+](=O)[O-] 1 0.971 5 3 0 -4.41200787258631 3560088 C1CC(CCC1CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=C(C=C4)F)C(=O)O 1 5.024 2 4 -24.4446776587466 3560074 C1=CC2=C(C(=C1)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)N=CC=C2 1 1.537 3 4 0 -11.8790867044483 3560043 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C 1 3.889 3 6 0 -5.23619574745609 3560036 CC1CCCN(C1)C(=O)COC2=CC=C(C=C2)NC3=CC=CC=C3 1 3.865 2 2 -6.69801663077867 3560035 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(C=C3)OC(F)F 1 2.469 3 7 0 -9.13700034908555 3560004 C1C2CC3CC1CC(C2)(C3)CC(=O)NCC4=CC=CC=C4 1 3.547 1 1 -9.56985363741096 3559955 C1CCCC(CCC1)N2CC(CC2=O)C(=O)N3CCC4(CC3)OCCO4 1 1.774 2 4 0 -17.3991879060275 3559852 CC(C(=O)N1CCN(CC1)C2=CC=CC=C2OC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.295 4 5 0 -14.4620145586551 3559851 CC1=C(C=CC(=C1)Br)NC2=C3C=CC=CC3=NC2=O 1 3.442 2 1 -4.01155882788347 3559850 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)OCC(=O)NCCN3C(=O)CSC3=O)OC 1 1.247 3 8 0 -35.4520164714733 3559843 CC(C)(C)C(=O)COC(=O)C1=C2CCCC2=NC3=CC=CC=C31 1 4.064 1 3 -7.45115117288 3559766 CC(C1=CC=CS1)N(CCOC)C(=S)NC2=CC=C(C=C2)OC 1 4.708 2 2 -6.63799729638231 3559717 CC(C)C(CC(=O)NCC1=CC=CC=C1)C2=CC=C(C=C2)OC 1 4.056 1 2 -10.5869146846927 3559650 CC1=C(C(=NN1CC(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C)[N+](=O)[O-] 1 1.04 5 7 0 -12.3994974307325 3559619 CC1(C(=O)NC(=O)N1)C2=CC(=C(C=C2)OC)OC 1 0.837 2 4 0 -9.47004227684113 3559618 CCC(C)N1C(=NNC1=S)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 2.156 4 3 0 -18.9515756119766 3559612 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)Br)OCC)Cl 1 5.105 2 5 0 -7.12483785132933 3559597 C1CS(=O)(=O)CC1NC(=S)NC2=CC3=CC=CC=C3C=C2 1 2.928 2 2 -11.8551636652319 3559596 CCCCCCCCCOC(=O)C(CC(=O)O)NCC1=CC=CO1 1 1.026 1 5 0 -12.1971799170828 3559585 CCCOC1=CC=C(C=C1)C(=O)NCCC(=O)NCCCC(=O)O 1 1.253 2 5 0 -22.9346272238041 3559578 CC1(CC(CC(N1)(C)C)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC)C 1 1.033 3 3 0 -15.6495570447535 3559551 CC1=CC=C(C=C1)CNC(=O)C(CCC(=O)N)NC(=O)OCC2=CC=CC=C2 1 2.288 3 4 0 -16.0516052754539 3559528 CC1=CC(=NC(=C1C#N)SCC2=CC=C(O2)C(=O)OC)C(F)F 1 3.919 2 3 -11.9938536950109 3559514 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NCCN3CCOCC3 1 2.81 4 4 0 -17.2773321371669 3559481 CC(C1=CC=CO1)N(C2=CC=CC=N2)C(=O)C3=CC(=CC=C3)Br 1 4.207 2 2 -5.98313737217424 3559456 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC(=CC=C5)Br 1 4.444 2 5 0 -15.3381101503056 3559433 C1=CC(=C(N=C1)Cl)NC(=O)C2=NOC(=C2)C3=CC=CO3 1 2.425 3 3 -4.2863544332563 3559378 COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5CCCO5)OC 1 1.484 5 5 0 -31.7350599687863 3559363 CCCS(=O)(=O)C1=C2C(=CC=CN2C(=C1S(=O)(=O)CCC)C(=O)NN=CC3=CC(=CC(=C3)O)O)C 1 3.606 3 7 0 -13.3688750602113 3559313 CC(=NNC(=O)CNC(=O)C1=CC(=CC=C1)Br)CC2=CC=CC=C2 1 2.497 3 2 -13.5463541741075 3559132 CC1=CC(=NC(=C1)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=CC=C2)C 1 3.758 3 3 -10.5718682874282 3559128 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCCCN3C=CN=C3 1 2.148 4 4 0 -10.2214826876671 3559089 COC1=CC=CC=C1N2C=NC3=C2C=CC(=C3)NCC4=CC=CC=C4O 1 4.261 3 2 1.72395119776792 3558935 COC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)OC 1 2.256 3 5 0 -22.5377488950269 3558877 CC1=CC=C(C=C1)C2=NN=NN2C3CC(=NNC(=S)N)C4OCC3O4 1 1.31 7 2 0 -11.6311605881454 3558870 CCC(C)(C(=O)NC1=CC=C(C=C1)OC)N(C)C(=O)CN2C(=NN=N2)N 1 0.14 7 3 0 -19.9626454561519 3558863 C1CSC(=N1)SCC2=C(C=CC=C2Cl)F 1 4.313 1 0 -10.056043252477 3558846 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4C5=CC=CC=C5)SCC(=O)NC6=CC=CC=C6 1 4.572 5 2 0 -19.8751724634069 3558784 CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)CC4=CC=C(C=C4)OC 1 4.056 2 4 -6.38532774455411 3558505 C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.316 2 4 -8.60518460553741 3558437 C1=CC=C(C=C1)C(=O)NC2=CC=CN(C2=O)CC3=C(C=CC=C3Cl)Cl 1 3.283 2 2 -10.7111212391884 3558421 CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] 1 3.675 3 5 0 -12.2246027146137 3558338 CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)Cl)C(=O)N3CCOCC3 1 2.263 3 2 -24.9523466220867 3558334 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 3.222 3 5 0 -10.6517167966903 3558242 C1CN2C(N(C(=S)N2C1)C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54 1 5.105 3 0 -1.84153728362062 3558177 CC1CCCC(C1C)NC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC=CS4 1 3.945 2 2 -12.5070037726116 3558150 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=[N+](C=C3)[O-])N4CCCC4 1 1.714 4 5 0 -12.9461150804165 3558013 CC1=CC=C(S1)C=NNC2=NC3=CC=CC=C3N2 1 2.967 4 0 6.0943252262641 3557976 C1CCN(C1)C(=O)C2=C(C=CS2)NC(=O)C3=CC=CC=C3 1 2.443 2 2 -11.5355973406997 3557955 CC1=CC(=C(C=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5)C 1 3.111 3 4 0 -8.58691300119287 3557897 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4 1 4.977 3 3 -12.4047017544231 3557857 CC1CCN(CC1)C(=O)CCCNC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C 1 1.438 4 3 0 -31.2792455104203 3557856 C1CN(CCN1C(=N[N+](=O)[O-])N)C(=O)OC2=CC=CC=C2 1 3.068 5 4 0 -6.04481372943179 3557794 CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(C)C3CCS(=O)(=O)C3 1 2.866 3 4 0 -27.4655340732413 3557677 COC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.193 2 8 0 -25.0676674652052 3557649 C1CN(CCN1CC2=CC(=O)N3C=CSC3=N2)S(=O)(=O)C4=CC=CC=C4 1 0.769 4 3 0 -24.7788456017084 3557646 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N 1 2.943 3 5 0 -28.5161925594664 3557588 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)F 1 1.787 2 4 0 -9.90059547866649 3557586 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CC3=CC(=CC=C3)C(F)(F)F 1 2.558 2 4 -7.03926805167932 3557585 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CC3=CC=CC=C3Br 1 2.364 2 4 -11.2671665904858 3557584 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CC3=CC(=C(C=C3)Cl)Cl 1 2.945 2 4 -8.48371162196173 3557583 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CC3=C(C=CC=C3Cl)F 1 2.486 2 4 -12.8538484475963 3557580 COC1=CC=CC=C1CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC 1 1.6 2 5 0 -13.2022300205167 3557547 CC(=NNC(=O)C(=O)NC1=C(C=C(C=C1)OC)OC)CC(=O)NC2=CC=CC=N2 1 0.577 5 5 0 -12.5714899323703 3557499 CC1=CC2=C(C=C1)N3CCN(C4C3=C(C2=O)CC4)C(=O)CCl 1 2.487 2 2 -2.54284149111047 3557417 CC1=C(C=C(C=C1)C(=NNC(=S)NC)C)C 1 3.184 3 0 -7.44521945029052 3557185 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.295 4 5 0 -26.9091222488382 3557159 CC1=CC(=CC=C1)CC2=C(NC(=O)C(=C2C)C#N)C 1 2.896 2 1 -7.97731382230402 3557139 CC1=C(SC=C1)C=NNC2=CC=C(C=C2)C(=O)O 1 3.518 2 2 -0.909178973743493 3557113 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5Cl 1 3.895 3 5 0 -12.4145555279043 3557057 CC1=CC=C(C=C1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2 1 4.734 1 1 -10.9229954327494 3557055 C=CCNC(=O)CN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 1 2.528 2 3 -22.5980172585723 3557023 CC1(C2=C(CCN1)C3=C(N2)C=CC(=C3)OC)CCC4=CN=C(C=C4)Cl 1 4.328 3 1 -3.93452516654801e-002 3557007 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=COCCO2)[N+](=O)[O-] 1 0.616 2 7 0 -12.4069167448476 3557005 CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=COCCO2 1 2.623 1 5 -11.1042461543571 3556928 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(F)(F)F)NCC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.786 3 4 0 -17.6189612237516 3556926 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC3=CC(=O)OC4=C3C=CC(=C4)NC(=O)C)C 1 2.296 3 5 0 -10.6158720614885 3556865 C1CC=C(C(C1)CCC#N)N(CC2=CC=CC=C2)C(=O)C(Cl)Cl 1 4.169 2 1 -5.67820300788409 3556842 CC(C)CC(C(=O)OCC(=O)NC1=CC(=C(C=C1)OC)Cl)N2C(=O)C3CC=CCC3C2=O 1 3.142 2 6 0 -14.9413258991739 3556765 CN1C=C(C=N1)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 2.162 3 1 -6.54651885777651 3556694 CCN(CC)C1=C(C(=O)C(C12OCCO2)Cl)Cl 1 1.503 1 3 0 -3.40905217182327 3556543 CC1=CC2=C(C=C1)NC(=C2CCNC3=C(C(=O)CC(C3)C4=CC=CC=C4)C(=O)C)C 1 4.195 2 2 -3.83949303453919 3556464 CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C3(C4=CC=CC=C4N(C3=O)C(C)C)O)N 1 3.019 4 2 -0.728222206893027 3556444 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.272 3 4 0 -10.3761464534093 3556441 CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.774 3 3 -8.66168192512709 3556417 CC1=NN(C(=C1Cl)C2=NNC(=S)N2CC3=CC=CO3)C 1 2.755 5 1 -3.757738773039 3556375 CC(C)N(C(C)C)C(=O)CN1C=NC2=C(C1=O)C=CC(=C2)[N+](=O)[O-] 1 1.569 4 4 0 -10.9760215503175 3556364 CC(=O)N1C2=CC=CC=C2C(=NN(C)C3=CC=CC=C3)C1=O 1 2.725 3 2 -4.35262564585908 3556295 CCCCCCC1=C(C=C(C=C1)OCC(=O)OC)OCC(=O)OC 1 3.978 0 6 -10.7372858905425 3556203 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.774 3 3 -9.96318024426516 3556099 CC1=CC(=C(C=C1)C)NC(=S)NCC(C2=CC=CC=C2)N(C)C 1 5.235 3 0 -7.31826010767016 3555936 CN1C=CN=C1SCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 3.129 3 3 -14.9728609802348 3555929 CC(C)CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC(=C(C=C2)OC)OC)O 1 4.179 1 5 -10.975434890814 3555860 C1=CC=C(C=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCO 1 0.515 6 3 0 -1.09877612233177 3555858 CCOC1=CC=C(C=C1)NC(=O)NC23CC4CC(C2)CC(C4)C3 1 3.421 2 2 -5.66748962219453 3555856 COC1=CC=CC=C1C2=NOC(=N2)C3=CC=CC=C3C(=O)NC4=CN=CC=C4 1 2.762 4 3 0 -6.1104554784842 3555849 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl 1 2.461 4 3 0 -10.634559515457 3555818 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC 1 2.559 2 7 0 -22.8572456169739 3555817 CC1=C(C=CC=C1Cl)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4 1 4.824 2 2 -5.84348534061923 3555690 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)NC(=O)CC3CC4CCC3C4 1 3.452 2 5 0 -6.14551163965018 3555617 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=C3C4CC5CC(C4)CC3C5 1 1.898 3 4 0 -19.1333991970742 3555583 CC1=CC(=NC(=N1)NN=CC2=CC=CC=C2OCC3=CC=C(C=C3)Br)C 1 4.434 4 1 -1.64276638753607 3555482 C1CC(CC(C1)CNC(=O)NC2=NC=C(C=C2)Cl)CNC(=O)NC3=NC=C(C=C3)Cl 1 3.638 6 2 0 -3.17063493262575 3555454 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(=CC3)C4=CC=CC=C4 1 3.085 2 3 -3.5700137583752e-002 3555446 C1C(N(C2=CC=CC=C2O1)C(=O)C3=CC=CC=C3Cl)CC(=O)O 1 3.045 1 4 -9.24524033216879 3555443 CC1=C(C(=O)NC(=C1CC2=C(C=C(C=C2)Cl)Cl)C)C#N 1 3.739 2 1 -5.24878739797537 3555442 C1=CN(C(=C1)C#N)C2=NC=CC(=N2)C3=CC=CS3 1 3.519 4 0 -1.82526228964534 3555310 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)C=O 1 1.593 3 3 0 -8.63543471537175 3555297 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4 1 4.353 2 4 -13.4558440514081 3555245 CCN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)C 1 2.95 3 2 -11.3715669625083 3555120 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2 1 2.696 3 5 0 -20.2378965614939 3555117 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3 1 1.905 2 4 0 -8.78559099471322 3555113 COC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)N)[N+](=O)[O-] 1 3.498 4 3 0 -4.76536687901532 3554999 CCCCNC(=S)NNC(=O)C1=CSC(=C1C)C 1 3.042 3 1 -12.1980714037306 3554979 CCCC(=NNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)[N+](=O)[O-])CCC 1 4.367 4 5 0 -12.6405959517585 3554910 C1=CC(=C(C(=C1)Cl)CN2C=CC=C(C2=O)NC(=O)C3=CC=C(C=C3)Cl)Cl 1 3.947 2 2 -8.81220975608591 3554908 CC1=CC=CC=C1C(=O)N2C(COC3=CC=CC=C32)C(C)(C)C 1 4.603 1 2 -6.07689577837272 3554844 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)N3CC(=O)C(=C3N)C4=CC=CC=C4 1 1.472 3 4 0 -19.4733328414616 3554839 C1CCN(CC1)CC(COC2=CC3=C(C=C2)OCO3)O 1 2.126 1 4 -5.17373220746485 3554819 CC(C)(C)C(=O)CSC1=NC2=C(C(=O)N1C3=C(C=C(C=C3)OC)OC)SC(=S)N2C4=CC=CC=C4 1 7.088 3 4 0 -16.9144263928626 3554818 CCOC(=O)CSC1=NC2=C(C(=O)N1C3=C(C=C(C=C3)OC)OC)SC(=S)N2C4=CC=CC=C4 1 6.015 3 5 0 -18.1914626231062 3554791 C1=CC(=CN=C1)C(=O)NNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 0.523 5 4 0 -9.37410952851178 3554733 CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC=CC=C4)[N+](=O)[O-] 1 2.684 2 3 -13.4481905689051 3554656 CSCC1=CC(=NC(=N1)C2=CC=CC=C2)N3CCCC3 1 2.977 3 0 0.91759548772952 3554518 CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC(C3C)C)NC1=S 1 4.059 3 3 -14.6035561706198 3554511 CCOC1=CC=C(C=C1)C(=O)CSCCC(=O)O 1 2.113 0 4 -9.44989226597428 3554496 CCS(=O)(=O)N1C(CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=C(C=C3)C 1 2.288 3 4 0 -6.76342099247566 3554381 COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)NC2=S 1 2.806 4 4 0 -12.803940853745 3554324 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NN=C(O2)C3=CC=CS3 1 2.407 4 3 0 -16.745076917747 3554229 C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C(=O)N 1 3.765 1 2 -5.84663821465425 3554226 CC1C(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)F 1 2.019 2 3 -13.4996730130923 3554158 CCCCN(C)CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3 1 3.55 4 1 -11.3877044294577 3554156 COC1=CC=CC=C1CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.587 3 2 -12.8781333455314 3554155 C=CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3 1 2.637 3 1 -14.0873988164967 3554154 COCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3 1 1.952 3 2 0 -13.8988559280213 3554072 CC1=CC=C(O1)C=NNC(=O)C(C2=CC=CC=C2)O 1 1.606 2 3 0 -8.22896392628019 3554033 CCOCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)Br)O 1 1.872 2 4 0 -5.97298580241296 3554017 CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 3.078 2 4 -18.5723534729863 3553918 CC1=CC(=NC(=N1)C2=CC=CC=C2)OC(C)C(=O)N 1 1.814 3 2 0 -0.881791881006876 3553853 CCN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=C(C=C(C=C2)OCC)[N+](=O)[O-] 1 3.947 5 4 0 -10.9049000179196 3553819 C1=CC=NC(=C1)C(=NOC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])N 1 1.594 4 4 0 -2.5399091870825 3553815 CC1(C(CCC1(C)C(=O)O)C(=O)NNC(=O)C2=CC=CC=C2O)C 1 1.695 2 5 0 -3.94549474849244 3553804 CC1C2=CC(=C(C=C2CCN1C(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC)OC 1 3.141 2 5 0 -19.154892513738 3553766 COC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)CC4=C3C=CC(=C4)OC 1 3.54 2 3 -0.800927464063417 3553688 CC1=CC=C(C=C1)CSCC2=CC=C(O2)C(=O)NCC3CCCO3 1 3.488 1 3 -14.6688354319242 3553673 CC1=NC2=C(C=C(C=C2C3=C1CCN3C4=CC=C(C=C4)OC)OC)OC 1 4.08 2 3 -3.56889244435488 3553672 CN(C)CCCNC(=O)C1=CC(=CN1)C(=O)CC2=CC=CC=C2 1 2.063 3 2 -5.91044422274721 3553484 CC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)CCC4=C3C=CC(=C4)OC 1 4.499 2 2 2.17442946157504 3553441 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(C(=C(N3)C)C(=O)C)C 1 2.891 3 4 0 -21.2458701479439 3553402 CCC(C)NC(=O)C1=CC=C(O1)CSCC2=CC=CC=C2Cl 1 4.557 1 2 -14.8279828056019 3553388 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)Cl 1 1.624 3 6 0 -25.0802967713787 3553383 CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SC(C)C(=O)OC)C4=CC=CC=C4 1 5.449 3 3 -4.33398389898033 3553300 CC(=NNC(=O)C1=CC2=C(C=C1)N=CN2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.073 5 3 0 -10.9249096209617 3553286 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O 1 2.85 2 6 0 -17.5357551478909 3553121 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.064 2 8 0 -18.1039064826555 3553089 C1=CC=C(C=C1)COC(=O)C2=NNC3C2C(=O)N(C3=O)C4=CC=C(C=C4)Br 1 2.504 3 4 0 -8.14916282585522 3553085 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2S(=O)C3=CC=CC=C3C#N 1 3.483 2 3 -2.98167539301719 3553031 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C 1 1.05 4 7 0 -7.72268116905977 3553011 CC(C(=O)NC1CC1)OC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)NC3=CC(=C(C=C3OC)OC)Cl 1 4.167 2 7 0 -13.8487149439753 3552985 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)C)C 1 1.802 4 5 0 -15.0288447493703 3552940 C1=CC=C(C=C1)N2C(=C(C=N2)CSCC(=O)NCC3=CN=CC=C3)N4C=CC=C4 1 3.098 5 1 -14.671415634201 3552939 C1=CC=C(C=C1)N2C(=C(C=N2)CSCC(=O)NCC3=CC=CC=N3)N4C=CC=C4 1 3.313 5 1 -14.3739945801676 3552920 COC1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=O 1 1.645 3 4 0 -17.5962928669163 3552807 CC(C)CCC(CCN1C(=O)CCC1=O)C2=CC=C(C=C2)OC 1 3.63 1 3 -8.71486706164484 3552776 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CCSC3=CC=C(C=C3)Cl 1 3.037 1 5 -9.20726612286359 3552758 COC1=C(C(=NC=C1)OC2=CC=C(C=C2)Cl)C(=O)N=CNOC 1 2.446 3 4 0 -1.2893695819711 3552733 CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4CCCN4C(C3C2=O)C(=O)C5=CC=C(C=C5)Cl 1 3.083 2 5 0 1.13537583244041 3552700 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)C2=CC=C(C=C2)OC 1 3.329 0 4 -8.50410286131844 3552667 CCOC(=O)C(C1=CC=CC=C1)SC2=NC=NC3=C2SC4=NC(=C5CCCCC5=C34)N6CCOCC6 1 6.347 4 3 0 -15.8498548261498 3552523 CCCCCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3[N+](=O)[O-] 1 4.541 3 3 -6.30655687068084 3552366 CC1=C(C=C(C=C1)NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2)Cl 1 3.343 2 4 -21.9802783461152 3552277 C1CC(=O)C2C(NC(=O)N(C2(C1)O)CC3=CC=CC=C3)C4=CC(=CC=C4)Br 1 3.171 2 3 1.52004610836196 3552239 C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5)C(=O)N2CC1 1 1.792 4 5 0 -27.8088319293583 3552238 CCOC(=O)C1=C(NC(=C(C1C(=O)OCC(=O)NC(C)C)C(=O)OCC)C)C 1 0.481 2 7 0 -25.2754670311468 3552210 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)CC4=CC=C(C=C4)F 1 1.99 3 6 0 -22.7651104766411 3552126 CC(=NNC(=O)CNC(=O)C1=CC=CC=C1O)CC2=CC=CC=C2 1 1.506 3 3 0 -10.7776507264688 3552048 C1=CC=NC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.562 3 3 -2.16455918763138 3551811 CCOC(=O)C1=C(OC2=C(C1C3=CN=CC=C3)C(=O)CC(C2)C)N 1 1.279 2 4 0 -19.7675377002013 3551790 CCOC(=O)C1=C2N(C3=CC=CC=C3O2)C(=O)C(=C1)NC(=O)C4=CC=CC=C4 1 2.523 2 5 0 -9.0530310486884 3551786 CCC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=CC=C3OC)OC)OC 1 3.516 1 5 -18.2080407870863 3551769 CC(=O)OC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)OC(=O)C 1 2.934 2 6 0 -8.81142346209345 3551766 C1=CC(=C(C(=C1)Cl)CN2C(=CC=C(C2=O)C(=O)N)C(F)(F)F)Cl 1 2.929 2 2 -4.30249348380374 3551764 C1=CC(=CC(=C1)Cl)CN2C(=O)C3=C(C2=O)C=NC=C3 1 1.959 2 2 0 -5.42903402691599e-002 3551659 C1CCN(C1)CCCNC(=O)CCN2C(=O)COC3=CC=CC=C32 1 0.796 3 3 0 -13.990459995991 3551648 CCCNS(=O)(=O)C1=CC=CN1C2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.609 3 2 -2.13879555842363 3551619 CC1CC(=NO)C(CN1CC=C)C 1 1.608 2 1 0 -3.30408340837092 3571869 CC1=C(C=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)F)C 1 4.485 2 2 -1.77009055318916 3571867 CCC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)F 1 4.454 2 2 -1.62177597010649 3571853 CCCC(C)NC(=S)NC1=CC(=CC(=C1)C)C 1 5.19 2 0 -10.8741950125321 3571844 C1=CC(=C(N=C1)Cl)C(=O)NCC2=CC=CO2 1 1.526 2 2 0 -7.51448497537591 3571783 CC1=CC=C(O1)C=NNC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.698 3 2 -6.14488758902595 3551477 CC1=CC=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C)F 1 3.819 3 1 -0.982435542563275 3571741 CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CN(N=C4)C 1 4.639 4 1 -4.29128972761854 3571735 CC1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3CCCCC3 1 2.969 3 2 -6.61255060970615 3571734 CCN1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3CCCCC3 1 2.106 4 2 -3.76151711470466 3571718 CCCCCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3 1 4.772 0 4 -5.01570795928854 3571647 CCOC1=CC=CC=C1N2C(=C(SC2=S)C(=O)N)N 1 2.442 3 2 -6.97325408397631 3571609 CC1=C(C=CO1)C2=NN=C(O2)SCC(=O)N3CCCCC3 1 1.644 3 3 0 -15.7347033574985 3571586 CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCN4CCOCC4 1 1.853 4 2 0 -4.83046458347543 3571559 CC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CN=CC=C2 1 0.653 4 2 0 -8.53584252523418 3571481 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NNC(=O)C3=CC=C(S3)Br 1 1.967 3 5 0 -11.8133978229287 3571479 CCOC(=O)C1=NOC(C1)COC2=CC=CC=C2C=O 1 1.707 1 5 0 -5.56398028846491 3571474 CC(C(C(C(C=NNC(=O)COC1=C(C=C(C=C1)Cl)Cl)O)O)O)O 1 0.355 2 6 0 -4.88387353850763 3571461 C1CC(OC1)CNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CC=C5 1 1.196 5 3 0 -25.5449955447482 3571459 CC(C)CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 3.001 3 4 0 -17.139387597385 3571436 C1COCCN1C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-] 1 -0.214 3 6 0 -13.7179311036501 3571390 COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4 1 1.725 2 7 0 -20.3113121604869 3571385 CC(=NNC(=O)CCC(=O)NC1=CC=C(C=C1)Br)C2=CC=C(C=C2)Br 1 3.496 3 2 -10.5516383638351 3571362 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 1.6 3 4 0 -11.6828829364882 3571333 CC(C)N(CCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=C(C=CC=C2Cl)Cl)CC3=CC=CC=C3 1 5.46 2 4 -10.2259004952037 3571297 CC1CCCC(N1NC(=S)NC2=CC(=CC=C2)OC)C 1 3.81 3 1 -5.67268102333875 3571272 CN1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-] 1 1.019 7 3 0 2.51325890229375 3571230 CCN1C(=NN=C1SC)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 3.765 4 2 -10.5958663761285 3551423 CC(C)(CN1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.784 2 2 -8.72832642646056 3551385 CC1=CC=CC=C1NC(=O)COC(=O)C2(CC2(Cl)Cl)C 1 2.555 1 3 -7.18279465219178 3571228 CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)F 1 0.47 2 5 0 -28.7216815712135 3571227 CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=CC=C2Cl 1 0.929 2 5 0 -28.7561478467562 3571226 CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=CC=C2 1 0.264 2 5 0 -30.3295682359149 3571212 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(S2)NCC3=CC=CC=C3 1 1.08 4 3 0 -26.2982300752305 3571207 CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3NC2=S 1 4.571 2 1 -8.63610555652864 3571181 CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=CC=CC=C43 1 5.796 3 1 -7.13549168344128 3551334 CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC=CS2)S(=O)(=O)NC3=CC=C(C=C3)Cl 1 3.266 3 4 0 -12.7429429769811 3551310 C1CC2CN(C3=C(N2C1)C=CC(=C3)C(F)(F)F)S(=O)(=O)C4=CC=C(C=C4)F 1 4.141 2 2 -2.24685032061733 3551308 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CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.535 3 3 -9.67512558330506 3546772 CC(C)OCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F 1 4.745 2 2 -10.0320418299317 3546771 C1CCN(C1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)F 1 4.749 3 1 -4.76431533031353 3546683 CC(C)OC1=CC=C(C=C1)C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O 1 3.846 4 5 0 -11.6944278710656 3546681 CCC(C)(C(=O)NC1=CC=CC=C1C)NC(=O)C2=CC(=CC=C2)N3C(SCC3=O)C4=CC=CC=C4 1 4.889 3 3 -26.4350856775665 3546661 C1CCCC(CC1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 3.281 2 3 -9.6971502150412 3546628 CCOC(=O)NNC(=O)C1CCC(CC1)C 1 1.913 2 3 0 -10.6590491524744 3546592 CC1=CC=C(C=C1)N2CN(CNC2=S)CC3=CC=CO3 1 4.039 3 1 -5.11901249123306 3546588 C1CCC(CC1)N2CN(CNC2=S)CC3=CC=CC=C3 1 4.557 3 0 -4.97668672399962 3546573 CC(C)(C)CC(=O)NC1=NN=C(S1)SCC(=O)NCC2=CC=CS2 1 2.472 4 2 -27.2950175474669 3546540 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)COC4=CC=CC=C43 1 1.704 3 4 0 -5.19305655731914 3546499 COC1=C(C=C(C=C1)CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)OC 1 1.583 2 6 0 -14.7146677554653 3546267 COC1=CC(=C(C=C1)OC)C2=NNC(=C2)C3CCN(CC3)C4=CC(=NC(=N4)N)Cl 1 4.04 6 2 0 1.22254564092156 3546264 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCNC3=NC=C(C=C3)[N+](=O)[O-] 1 1.604 5 5 0 -12.0157885265983 3546218 C1=CC=C2C=C(C=CC2=C1)NC(=O)C(=O)C3C4=CC=CC=C4NC3=O 1 2.365 2 3 -7.50628086381713 3546109 C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCCC(=O)O)O 1 0.904 2 6 0 -11.5705231373995 3546063 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)OC 1 1.965 3 6 0 -12.6391694399654 3546046 CC(C1=CC=CC=C1)N(CC(=O)NC2CCCCC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 4.768 2 3 -9.93914126533045 3546045 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N 1 3.884 4 2 -31.6207228268025 3545931 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)C3=NC=CC(=C3)Cl 1 3.48 2 2 -1.42350811050181 3545788 CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)C 1 4.32 1 4 -1.84867943937855 3545775 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CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3CC3)S2)CC=C 1 2.643 3 2 -14.9198482705951 3545299 CCOCCCNC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)OC)Cl 1 3.067 2 3 -12.6036247236117 3545134 CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)N3C(=NN=N3)C(C4=CC(=CC=C4)Cl)N5CCCCC5 1 6.312 8 1 0 -11.9785669488395 3545131 CCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CS4 1 4.084 2 4 -19.1618463107266 3545035 CC1=CC=C(C=C1)C2=NC(=NO2)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C 1 4.62 3 3 -7.78269232278674 3545034 CC1=CC=C(C=C1)C2=NC(=NO2)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)C 1 3.841 3 3 -8.36711832086641 3545033 CC1=CC=C(C=C1)C2=NC(=NO2)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C 1 4.755 3 3 -4.96266522953755 3544983 CC1=C2C(=C(C=C1)N3CCOCC3)C(=O)C4=CC=CC=C4C2=O 1 3.144 1 3 1.0371121652275 3544833 CC(C)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3 1 2.942 5 2 0 -11.8469336677187 3544830 CCC(=O)N1CCN=C1SCC2=C(C=CC(=C2)C)C 1 3.867 2 1 -11.8621460639695 3544812 CC(C)C1C2(C(=N)OC(O1)(C(C2(C#N)C#N)C3=CC=CC=C3)C)C#N 1 2.02 4 2 -1.99315497527459 3544811 CC1=NN(C(C1)C2=CC=CC=C2)C(C#N)C3=CC=CC=C3 1 2.866 3 0 -1.35132513710681 3544778 C1=CC=C2C=C(C=CC2=C1)C(CNC(=O)C3=C(C=CC=C3F)F)O 1 3.43 1 2 -2.49253447489939 3544771 C1=CC=NC(=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)N5C=CC=CC5=N4 1 2.582 5 2 0 -29.7912388739771 3544770 C1=CC=NC(=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl 1 2.951 5 2 0 -27.690957923411 3544767 C1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2OCCO 1 2.681 3 4 0 -3.67730418627401 3544741 CC1(CC1(Cl)Cl)C(=O)NNC(=O)C2CCCCC2 1 2.081 2 2 -4.92157767718508 3544704 CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)OC2=CC=CC=C2Cl)C3=CC=CC=C3 1 3.904 5 5 0 -2.22861681403079 3544553 C1=CN(C=C1)C2=CC=C(C=C2)C3=CC=NN3 1 2.96 3 0 -2.59931812209502 3544550 C1COC(=CO1)C(=O)OCC(=O)NC2=CC=CC=C2OC(F)F 1 1.041 1 6 0 -11.9413423737834 3544523 CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)NCC3CCC(CC3)C(=O)O 1 4.645 1 6 0 -19.6238766555212 3544515 C1=CC2=NC(=CC(=O)N2C=C1)CSC3=NC4=C(C(=O)N3CCC(=O)O)SC=C4 1 1.664 4 4 0 -36.5027872555686 3544513 C1CC1N2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl 1 2.793 4 2 -29.3541892411368 3544434 CCSC1=NN=C(N1C2=CC=C(C=C2)F)CC3=CC(=O)NC(=O)N3 1 1.962 5 2 0 -15.932355404691 3544431 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)Br)CSC3=CC=CC=N3 1 4.929 3 2 -13.2637994490458 3544398 CC1=CC=C(C=C1)C(=O)CNC2=CC=C(C=C2)C 1 3.866 1 1 -5.00897643712624 3544360 C1C(=CC2=CC=CC=C2O1)C=NNC(=O)C3=CC=NC=C3 1 1.59 3 2 0 -0.167597260253775 3544351 CC(=O)COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC 1 1.129 1 7 0 -12.1445431964029 3544348 CC(=NNC(=O)CNC1=CC=C(C=C1)OC)C2=CC3=CC=CC=C3O2 1 2.902 3 3 -4.33482440370088 3544251 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3F 1 4.224 1 2 -7.02673892170552 3544257 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NNC3=CC=CC=C3 1 1.991 3 3 0 -4.08148515042536 3544184 C1=CC=C2C(=C1)C(=C(N2CC3=CC=C(C=C3)Cl)C(=O)O)C=O 1 4.257 1 3 -1.68591326045608 3544180 C=CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)C=O 1 4.145 1 3 -5.46739966138708 3544178 C1=CC=C2C(=C1)C(=C(N2CC3=C(C=C(C=C3)F)Cl)C(=O)O)C=O 1 4.463 1 3 -2.70139311869866 3544174 C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)C=O)Cl 1 4.257 1 3 -4.45462979191623 3544033 CC1=CC=C(C=C1)S(=O)(=O)NC(=NC(CCSC)C(=O)O)C2=CC=CC=C2 1 3.229 2 4 -12.4370547190565 3543999 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C3CCCNC3=O 1 1.451 3 3 0 -22.7041344940142 3543875 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCCCC2=CC=CC=C2 1 3.069 1 4 -8.32091934917129 3543852 C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC#N 1 3.825 3 1 -19.864737589847 3543841 CC1=CC=C(S1)C(=O)NCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=C(C=C3)OC 1 2.909 3 5 0 -11.6486453011019 3543770 CCC(C)(C)NC(=O)CCN1C(=C(C=C1C2=CC=CC=C2)C(=O)C)C 1 3.587 2 2 -12.246123399328 3543764 CN(C)C(=O)N1CCC(CC1)C(=O)NCC2=C(C=CC(=C2)Br)OC 1 1.777 3 3 0 -14.4024285485151 3543718 CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.905 3 5 0 -26.6149635061153 3543650 CC1=CC(=O)OC(=C1C(=O)NC2=C(N=CC=C2)Cl)C 1 1.751 2 3 0 -8.2114955594048 3543625 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0 -20.9213861455842 3541968 COC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl 1 2.676 2 5 0 -17.1379326330609 3541931 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC(=C(C=C4)F)F 1 3.683 3 3 -3.48297833749734 3541927 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)OCC(=O)NC3=CC(=CC(=C3)OC)OC)C 1 2.301 4 7 0 -23.3981892442167 3541919 C1CN(CCN1C2=CC=C(C=C2)F)C3=CN=C(C=C3)[N+](=O)[O-] 1 3.109 4 2 1.44223653273266 3541811 COC1=CC=CC=C1NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC=C 1 1.647 6 3 0 -5.22268964339304 3541691 CC(C1=CC=CC=C1)NC(CC=C)C2=CC=CO2 1 3.583 1 1 -6.91210599164644 3541690 C1CCC(=NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC1 1 2.615 4 3 0 -26.8251566802671 3541646 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(C)N3C(=O)C4CCCCC4C3=O 1 2.516 2 5 0 -17.1087499645755 3541615 CC(C)CCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2CC5CCCO5 1 3.611 5 2 0 -18.1634935309187 3541552 CC1=CC(=C(C=C1)C)C2C(=C(NC(=S)N2)C)C(=O)N3CCOCC3 1 2.571 3 2 -24.8334864420775 3541492 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CC(C)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCC4CCCO4 1 3.952 3 2 2.73040336980906 3540127 C1=CC=C(C(=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3)F 1 4.33 3 0 -3.60416703204146 3540126 COC1=CC=CC(=C1)NC(=O)COC(=O)CCOC2=CC=CC=C2OC 1 2.372 1 6 0 -12.617456154038 3540118 CC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=CC=CC(=C2)C(=O)C)[N+](=O)[O-] 1 3.394 4 4 0 -12.4130834728044 3540091 CCOC(=O)C1=C2C=CC=CN2C=C1C3=CC=CC=C3 1 3.248 1 2 -2.83358337167491 3540028 CC(C)CCC(C(C)CC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)O 1 4.352 3 3 -8.34058029032607 3540023 CC1CCCCC1NC(=S)NC2=CC=C(C=C2)SC(F)F 1 6.053 2 0 -10.575298554538 3540012 CSCCC(C(=O)OCC(=O)N1CCCC1=O)NC(=O)C2=CC=C(C=C2)Cl 1 1.526 2 5 0 -24.6807897569255 3539905 CC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)OC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 5.719 2 4 -15.6807853026588 3539791 CCOCCN1C2=CC=CC=C2C3=NC4=CC=CC=C4N=C31 1 3.838 3 1 -7.69381825124596 3539762 CCC1=NC2=C(C(=N1)SCC3=NC4=CC=CC=C4N3)OC5=CC=CC=C52 1 4.979 4 1 0.562600230647238 3539697 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4Cl 1 4.388 3 3 -13.9935473418048 3539654 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)F 1 7.2e-002 2 6 0 -23.8539597974338 3539586 COC1=CC(=CC(=C1OC)OC)C(=O)NCCC(=O)N2CCCCC2 1 1.42 2 5 0 -17.0633177818792 3539570 CC(C1=CC(=CC=C1)OCC2=CC(=CC=C2)Cl)(C(=O)O)N 1 0.617 1 3 0 2.13820454783091 3539549 CC1=C(C=CC(=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)O)C4=CC=C(C=C4)F)SC2=S)Cl 1 6.83 3 3 -13.9270267584377 3539460 CCN(CC)C1=CC=C(C=C1)C=NCCNS(=O)(=O)C2=CC=C(C=C2)C 1 3.755 3 2 -10.6334692341107 3539441 C1CSC2=NC(=O)C(=C(N21)O)C(C3=CC=C(C=C3)Br)C4=C(N5CCSC5=NC4=O)O 1 3.933 4 4 0 -10.0892744188033 3539438 C1CCC(CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F 1 1.613 2 6 0 -26.7734862134459 3539352 CC1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C34 1 3.896 1 3 -2.29674164109154 3539317 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)NC2CCCC3=CC=CC=C23)C 1 3.645 2 5 0 -22.4724106578781 3539184 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C=NNC3=CC=C(C=C3)C(=O)O 1 4.138 3 2 3.25192535101087 3539112 CCCCCC(=O)NC(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)O 1 2.808 2 6 0 -19.0808876106936 3539086 CCC1C(=O)N(C(=NN=CC2=CC=CO2)S1)CC3=CC=CC=C3 1 4.143 3 2 -6.14986416893417 3539083 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N 1 0.573 3 5 0 -23.228091454217 3539070 C1=CC=C(C=C1)C(CCNC(=O)CN2C=NC=N2)C3=CC=CC=C3 1 2.5 4 1 -22.9279986579017 3539023 CN1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2CC4=NC(=CS4)C5=CC(=CC=C5)[N+](=O)[O-] 1 3.072 6 3 0 2.24385690672209 3538969 CC(=C1C2CCC1C3C2C(=O)N(C3=O)NC(=O)COC4=CC=C(C=C4)C(C)(C)C)C 1 3.528 2 4 -4.83885016726095 3538866 CC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NS(=O)(=O)C4=CC=C(C=C4)Cl 1 2.969 4 5 0 -3.37812693165205 3538829 CC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCOCC4 1 1.639 2 7 0 -21.9132749591087 3538824 C1CC(OC1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br 1 3.985 2 4 -15.7754010806818 3538732 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NC2=NC=CS2 1 2.576 3 3 -16.7633256561255 3538664 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NC2=CC=CS2 1 2.69 3 3 -7.93054501777168 3538663 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CC=CS2 1 2.203 3 3 -6.87098043793132 3538660 COC1=C(C=C(C=C1)Br)CNC(=O)NC2=CC=CS2 1 3.048 2 2 -7.92764277408079 3538559 C1=CC=C(C=C1)N2C=C(NC2=S)C3=CC=CS3 1 3.788 2 0 -4.40888800231164 3538485 CCC(CC)C=NNC(=O)CCCCC(=O)NN=CC(CC)CC 1 3.54 4 2 -10.2043447265536 3538338 C1CC2=C(C1)N=C(N=C2SCC(CO)O)C3=CC=CC=C3 1 2.766 2 2 -0.434471330961502 3538279 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=CC=C2Cl 1 3.391 1 3 -11.9993350611211 3538174 CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3COC4=CC=CC=C4O3 1 4.088 3 4 0 -25.5214489132258 3538139 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC)C 1 2.057 4 5 0 -24.6938985012953 3538085 CCN(CC)C(=O)OC1=C(C2=CC=CC=C2C=C1)Cl 1 4.069 1 2 0.153210524320203 3538021 COC(=O)C(C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl)(C(F)(F)F)O 1 5.303 2 4 -7.12773572022361 3537922 CC(C)C(=O)NNS(=O)(=O)C1=CC=CC=C1 1 1.039 2 3 0 -11.8580165852419 3537904 C1CCCC(CC1)NC(=O)COC(=O)COC2=CC=C(C=C2)Br 1 3.643 1 4 -11.4767070759947 3537824 CCCCC(C(C)CC(=O)NC1=NC=CS1)C(=O)O 1 2.332 2 3 -13.4552299371259 3537784 C1OC2=C(O1)C=C(C=C2)C3=CN4C=CC=NC4=N3 1 1.9 3 2 0 1.30205436881575 3537782 COC(=O)CCCNC1=C(C=CC=N1)[N+](=O)[O-] 1 1.198 3 4 0 -13.6859668864896 3537584 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=NC=NN3 1 2.332 4 1 -15.4114338154697 3537570 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3CCC(CC3)C(=O)O 1 2.763 1 6 0 -19.4376079501081 3537567 CC(=NNC(=O)CNC(=O)C1=CN=CC=C1)C2=C(C=C(C=C2)OC)OC 1 0.54 4 4 0 -15.9096211083863 3537566 CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4 1 2.278 4 3 0 -7.50197435815491 3537495 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=COC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.486 4 5 0 -13.3197798780009 3537275 CC(C1=CC=CC=N1)N(CCN(C)C)C(=S)NC2=CC(=CC=C2)F 1 4.524 4 0 -4.69997834004125 3537256 CC(C)(C)NC(=S)NCC1=CC=NC=C1 1 2.021 3 0 -11.4852401214462 3537199 CCN1C2=NC3=CC=CC=C3N2CC(=N1)C4=CC=CC=C4 1 3.295 4 0 1.70265455587206 3537198 COC1=CC=C(C=C1)C(=O)N2CC(CC2=O)C3=CC=CC=C3 1 2.618 1 3 -5.32514634561971 3537176 C1CC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)Br 1 3.91 2 1 -5.17485483097764 3537138 CCOC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C4=CC=CC=C42)OC(=O)S3)C(=O)C5=CC=CO5 1 5.323 1 7 0 -5.91852268288421 3537064 CN1CC(=O)N(C1=O)CC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4 1 1.642 4 4 0 -14.4676153993199 3536995 C1COCCN1C2=C(C(=NC(=N2)NC3=CC(=CC=C3)F)N)[N+](=O)[O-] 1 1.766 6 3 0 0.785121237489541 3536931 C1=CC(=CC(=C1)F)NC(=O)C(CC2=CC=CS2)C(=NO)N 1 1.888 3 2 0 -4.16837845586837 3536892 CN1C2=CC=CC=C2C3(C1=O)C4=C(C(=O)N3CCO)OC5=CC=CC=C5C4=O 1 0.9 2 5 0 1.73422852866585 3536869 CC1(C(=O)N(C(=O)N1)CC(=O)C2=CC=CN2)C3=CC=C(C=C3)C(C)(C)C 1 3.117 3 3 -0.903678818131834 3536865 CCNC(=O)NC(=O)C(C)OC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2Cl)Cl 1 2.997 4 4 0 -13.8936872097659 3536856 C1CN(CCC1C(=O)NNC(=O)C2=CC(=CC=C2)Cl)CC3=CC(=CC=C3)F 1 3.287 3 2 2.61719823389037 3536849 CCCCOC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CC3=C(O2)C=CC4=CC=CC=C34 1 3.84 2 5 0 -7.33867595755618 3536845 COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3 1 2.51 4 4 0 -22.9966247467131 3536681 C1CN(CCN1C2=CC=CC=C2O)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 2.993 3 4 0 -2.98792301653481 3536636 CC1=CC(=CC(=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2)C 1 3.375 1 3 -5.97972430041176 3536633 C1C(CN(C1=O)C2=CC=C(C=C2)Br)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.597 4 4 0 -9.97443557758985 3536594 CNC(=S)NNC(=O)C1=C(C2=C(S1)C=C(C=N2)C(F)(F)F)C3=CN=CC=C3 1 3.16 5 1 -3.51087484326113 3536446 C1=CC=C(C(=C1)C=O)N2C=NC=N2 1 1.131 3 1 0 -5.44981883493313 3536407 C1CC(OC1)CNC2=NC(=C(C(=N2)NC3=CC=C(C=C3)F)[N+](=O)[O-])N 1 1.611 6 3 0 -2.0905706782255 3536394 CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)OC)C(=O)NC4=CC=CC=C4 1 5.474 3 2 -16.6421904318174 3536319 CN1C(=O)N(C2(C1(NN3C(=O)C(=CC4=CC=C(C=C4)N(C)C)SC3=N2)C5=CC=CC=C5)C6=CC=CC=C6)C 1 4.839 6 2 0 -9.13424348944737 3536314 COC1=C(C=C2C(NCCC2=C1)C3=C(N(C(=S)NC3=O)CCC4=CC=CC=C4)O)OC 1 4.114 3 4 0 -13.5181537367329 3536304 CC1=CN=C(C=C1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C 1 3.15 3 1 -3.95544890805503 3536302 CC1=CC(=CC=C1)OC2=NC=NC3=C2C(=NO3)C 1 2.772 3 2 3.14162154996557 3536230 C1C(C(=O)NC1=O)NC(=O)C2=CC=C(C=C2)Cl 1 0.616 2 3 0 -9.51267599194536 3536067 C1=C(NN=C1)C2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-] 1 1.95 4 4 0 -4.09637748690958 3536011 CCOC(=O)NC1=C(C2=C(S1)N=C(C=C2C)C)N3C=CC=C3 1 3.622 3 2 -5.70780794029129 3536010 CC1(C2NC(=S)N(N2C(=S)N1)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl 1 6.453 4 0 -0.965106014850911 3535994 COCC(=O)OCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=CO3 1 2.148 2 5 0 -13.4278085726737 3535939 CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC=CC(=C2)C(=O)C 1 1.507 2 4 0 -8.96828956952124 3535865 CC1=C(C=C(C(=C1)C(=O)C2=CN=C(S2)N=CN(C)C)F)Cl 1 2.74 3 1 2.09594590466325 3535767 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)C(C)C 1 4.89 2 5 0 -14.3589494378424 3535765 COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)CC4=CC=CS4 1 4.045 3 5 0 -6.24647798506178 3535755 CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)C3=C(NC4=CC=CC=C43)C)(C)C 1 3.378 3 3 -7.35833698632965 3535628 CC(C1=CC=CC=C1)NC(=O)C(CC=C)C(=O)NC(C)C2=CC=CC=C2 1 3.668 2 2 -10.0908367722313 3535627 CCCCNC1=C(N=CN1C)[N+](=O)[O-] 1 1.618 4 2 0 -5.57213188011748 3535623 CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)O 1 4.592 1 6 0 -12.8527222169641 3535600 CN1C(C(=O)N(C1=S)C)N=NC2=CC=CC=C2C(=O)O 1 3.164 4 3 0 -2.7235084766162 3535541 COC1=CC2=C(C=C1)NC=C2C(CN3CCN(CC3)C4=CC=CC=C4F)O 1 3.504 3 2 6.40783482533665 3535343 COC(=O)NN=C(CCC(=O)O)C1=CC=CS1 1 1.441 2 4 0 -11.6663819509598 3535237 CCCCC(=NNC(=O)NC1CCCCC1)C 1 2.759 3 1 -10.1317349931515 3535223 CCN1CCN(CC1)C2=NC(=C(C(=N2)NC3=CC=C(C=C3)C)[N+](=O)[O-])N 1 2.045 7 2 0 3.2763414402548 3535169 C1=CC=C(C=C1)CCNC(=O)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.795 3 5 0 -19.9678292118231 3535143 C1CC(CCC1CN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)N5C=CC=CC5=N4)C(=O)O 1 3.308 4 4 0 -36.0344094747461 3535142 C1=CC2=NC(=CC(=O)N2C=C1)CSC3=NC4=C(C(=O)N3CCCCCC(=O)O)SC=C4 1 2.898 4 4 0 -35.9458381817484 3535094 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=C(C=C3)F 1 3.059 2 3 -16.0874753712976 3535025 CC1=C(SC(=N1)C2=CC=CC=C2)C3=NN=C(N3C)SCC=C 1 3.979 4 0 -2.38761711937881 3535003 CS(=O)(=O)N1C(CC(=N1)C2=CC=CO2)C3=CC=CC=C3 1 1.937 2 3 0 -1.86863648422772 3534982 C1C(OC2=CC=CC=C2C1=O)C3=CC(=CC=C3)O 1 2.857 0 3 1.01092076188652 3534975 CC1=CC=C(O1)C(=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C 1 2.238 3 4 0 -18.3589496957036 3534974 C1=CC=C(C=C1)CCC=NNC2=NC3=CC=CC=C3N2 1 3.252 4 0 3.27817757259406 3534970 CC(CS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F)(C(=O)NC2=CC=CC(=C2)C(F)(F)F)O 1 3.784 1 4 -7.18688374584369 3534928 C1CC1C(=O)NCCSC2=CNC3=CC=CC=C32 1 2.615 2 1 -10.0511315817985 3534891 CC1CCCN(C1)C(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NCCO 1 2.728 2 4 -4.62591846344995 3534827 CCON=CC1=CC(=C(C=C1)OC)OC2=NC(=CC(=N2)OC)OC 1 3.376 3 5 0 -6.63101173352704 3534815 C1COCCN1CCCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S 1 1.338 4 3 0 -18.5637484075373 3534758 CC1=CC(=NC2=C1C=CC(=C2)OC)N3CCN(CC3)CC4=CC=CC=C4 1 4.108 3 1 7.94038896961356 3534717 CC1=C(SC2=NC=NC(=C12)NN=CC3=CC(=CC=C3)O)C 1 3.659 4 1 4.02900535425148 3534703 C1=CC=C(C=C1)C(CC(=O)O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.264 1 4 -8.82017676615134 3534639 CCC1=CC=C(C=C1)OCC(=O)NN=C(C)C2=CC=C(C=C2)N3C=CN=C3 1 3.111 4 2 -6.98837299760677 3534619 CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=CC=C3OC)N4CCOCC4 1 4.57 2 3 -14.7607775624516 3534616 CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=NC=C3)N4CCN(CC4)C 1 3.706 4 1 -9.61941686255602 3534612 CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OC)OC)N4CCOCC4 1 4.554 2 4 -15.1623193181895 3534608 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 -0.388 2 8 0 -36.2173724584334 3534553 COC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3)OC 1 2.565 3 4 0 -26.4906175357724 3534516 COC(=O)CC1C(=O)NCCN1C(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.03 2 4 -21.0143844588064 3534473 CN(C)C(=C(C#N)C#N)CC=NOCC1=C(C=CC=C1Cl)Cl 1 2.973 4 1 -5.91341434438117 3534468 C1C(CN(C1C(=O)OCC(=O)C2=CC=CN2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O 1 0.695 3 8 0 -15.0383979731324 3534427 CCOC(=O)CN1C(=S)NC2(N1)CCCC(C2)C 1 1.916 3 2 0 -7.2007480252106 3534409 CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)NCC3CCC(CC3)C(=O)O)CC4=CC=CC=C4 1 5.846 1 6 0 -22.1649946318114 3534385 CCOC1=CC=C(C=C1)C(=O)NN2CCOCC2 1 0.772 2 3 0 -8.86571664318852 3534238 C1=CC=C(C(=C1)C(=O)O)SC2=C(C=C(C=C2)C(=O)O)N 1 2.461 1 4 -3.56482986361279 3534203 CCC(C)SC1=CC(=O)N(N=C1C(=O)OCC)C2=CC=CC=C2 1 3.402 2 3 -8.32288649615962 3534155 C1CC2(N(C1=O)C(CS2)C(=O)OCC#N)C3=CC=C(C=C3)Br 1 2.091 2 3 -7.2364633577944 3534134 CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CC2=CC=CC=C2 1 3.124 1 4 -12.495444492644 3534131 CC(C)C(CCNCC1=CC=C(C=C1)OC(C)C)C2=CC=C(C=C2)OC 1 5.381 1 2 -1.99081212929658 3534130 CC1(CC2CC(C1)(CN2C(=O)CC3=CC=C(C=C3)OC)C)C 1 3.304 1 2 -13.518304197185 3534085 CCCCC1=C2CCCCC2=C(C(=N1)NCC3=CC=CC=C3)C#N 1 5.392 3 0 -5.1782067450695 3534083 C1OC2=C(O1)C=C(C=C2)CN3C=NC4=C(C3=O)C5=NC6=CC=CC=C6N=C5N4C7=CC(=CC=C7)Cl 1 5.264 5 3 0 -3.49305980556154 3534004 CC(C)C1=C2COC(CC2=C(C(=N1)Cl)C#N)(C)C 1 3.305 2 1 -8.64907089499685 3533984 CN(C1=CC=C(C=C1)O)C(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.99 2 3 -5.26059052333035 3533916 CC1=C(C=C(N1CCC(=O)NC2CCCC2)C3=CC=CC=C3)C(=O)C 1 3.534 2 2 -10.5750743157472 3533883 CCCC1C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.077 1 1 -3.02819951927301 3533870 CC1=CC(=CC=C1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C 1 1.896 5 3 0 -18.4470225679591 3533855 CC1CCCC(C1C)NC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 3.354 2 5 0 -18.4637106466052 3533798 C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)C4=CC=CC=C4Br 1 2.498 3 6 0 -23.0246099199198 3533786 CC(=NOCC(=O)NN1C(=O)C2=CC=CC=C2NC1=O)C3=CC=CC=C3 1 1.302 4 4 0 -10.2767058453413 3533774 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4C=CN=C4 1 3.461 4 1 -3.00715033466937 3533740 COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CS4 1 4.18 3 3 -19.1488189652691 3533739 CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)[N+](=O)[O-] 1 2.906 4 4 0 -24.2529481982523 3533724 CCC1(OCC(O1)CN2C3=CC=CC=C3C4=CC=CC=C42)C 1 3.867 1 2 -1.9300178311494 3533615 CC(=NNC(=O)CC1=CSC(=N1)N2CCOCC2)C3=CC=CC=C3 1 1.354 4 2 0 -9.53785394462769 3533600 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCN3C(=CC(=N3)[N+](=O)[O-])C 1 2.688 5 4 0 -24.7005219254117 3533531 C1=CC=C(C=C1)C2=NC=C(S2)C(=O)CC=NOCC3=C(C=CC=C3Cl)Cl 1 5.093 2 2 1.48511840861762 3533527 C1=CC=C(C=C1)C(C(=O)NC2=CC=CC(=C2)C(F)(F)F)SC3=CC=CC=[N+]3[O-] 1 4.213 2 2 -4.93060086271268 3533511 CC1(C(=O)N(C(=O)N1)CC(=O)N2CCC3=CC=CC=C32)C4=CC(=CC=C4)Br 1 2.741 3 3 -10.9168757746544 3533508 CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)C 1 0.491 2 6 0 -25.0223462879904 3533462 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC3=CC(=C(C=C3C2)OC)OC)Cl 1 2.363 3 5 0 -17.1782357109393 3533444 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4)C 1 3.811 3 6 0 -16.0795032691599 3533410 CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC=CO4 1 2.524 8 4 0 -24.5219976406051 3533360 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC=NC3=C2C(=C(S3)C)C 1 1.946 3 3 0 -22.7758572847143 3533282 COC1=C2C(=C(C=C1)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)F)C=CC=N2 1 2.579 3 4 0 -8.55012028776051 3533224 COC1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCC3=CC=CS3 1 3.134 2 3 -8.42067500345194 3533142 CCOC1=C(C=CC(=C1)C(=O)CCC(=O)OCC(=O)NC(=O)NCC(C)C)O 1 1.762 2 7 0 -14.3216528890642 3533132 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=CN=C3)Br 1 2.23 3 4 0 -19.4346524699634 3533089 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 2.38 4 5 0 -11.6851060972855 3533066 CC(C1CC2CCC1C2)NC(=O)C3=CC=CC=C3Cl 1 3.944 1 1 -6.79616109048661 3533059 C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NNC(=N2)N 1 1.813 6 4 0 -0.733781652766292 3533013 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 5.009 2 1 -2.27871658059799 3533006 CC(C1CC2CCC1C2)NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3 1 3.602 2 3 -11.8171848487025 3532976 C1=CC(=CN=C1)C(=O)OC2=C(C=C(C=C2Br)[N+](=O)[O-])Br 1 3.502 2 4 -5.6462807435086 3532959 CCCCN1C2=CC=CC=C2N=C1C(C)NC(=O)CC 1 3.351 3 1 -12.1510534158844 3532905 C1=CC(=CC(=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)C(=O)O 1 1.599 2 7 0 -6.28469668597358 3532885 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCCN(C)C)C(=C2)C 1 3.71 6 0 -4.1918292764387 3532844 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 0.958 4 5 0 -16.9290890389431 3532838 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 1.137 3 5 0 -11.5986167235699 3532800 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4CCCO4 1 3.07 2 3 -12.1226801035536 3532658 C1CCC2=C(C1)C3=C(S2)N=C(N=C3SC4=CC=C(C=C4)Cl)CN5CCOCC5 1 5.466 3 1 -4.97993646956171 3532647 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(C=C2)NC4=C3CCCC4 1 2.484 2 5 0 -15.0589861771291 3532610 C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC3=CC=C(C=C3)C#N 1 3.932 2 2 -10.4864997474072 3532590 COC1=CC=CC(=C1)C(=O)NC2=NN=C(O2)C3=CC=CS3 1 2.392 3 3 -8.71551357473724 3532492 CCCN1C(=O)C2=C(N=C3N2CCCN3CCC4=CC=CC=C4)N(C1=O)C 1 2.642 5 2 0 -10.7249374108912 3532483 C1CCC(CC1)NC(=O)CC(CC2=CC=CC=C2)C3=CC=CO3 1 4.312 1 2 -8.27637457017766 3532410 CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C=NNC3=CC=CC=C3)N=CN(C)C 1 4.757 4 2 -0.53246122442262 3532339 CC1CCCN(C1)C(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCC4C)C 1 4.536 4 1 -14.284185921222 3532334 C1=CC=NC(=C1)CN2C(=O)C3=C(C=CC(=C3)Cl)NC2=S 1 3.454 3 1 -0.823259930440558 3532333 C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NC3=CC(=CC=C3)Cl 1 3.691 3 2 -7.90339190327173 3532299 CC(C1=CC=CO1)N(C2=CC=CC=N2)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 4.505 4 6 0 -13.6036784975712 3532239 C1CC(N(C1)C(=O)N)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 1.931 3 2 0 -4.62482170474575 3532154 C1=CC(=CC=C1OCC2=CSC(=N2)N)Cl 1 2.527 2 1 3.6205238542236 3532137 CN1C2=C(C(NC1=O)C3=CC=CC=C3)C(=O)N(C2)CCC4=CC=CC=C4 1 2.203 3 2 -14.8578715271276 3532118 CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)C(=NNC(=O)C3=CC=C(O3)CN4C=C(C=N4)Br)C 1 3.152 5 4 0 -10.3219235379647 3532049 CCOCCCNC(=O)C(C1=CC=CC=C1)N(CC2=CC=CS2)C(=O)C3=CC=CC=C3O 1 3.384 2 4 -14.2685320471697 3531955 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC3=C(C=C2)N=CS3 1 2.363 3 3 -14.0228142702548 3531889 COC1=C(C=C(C=C1)C2=C(SC(=N2)N)C3(C4=CC(=CC(=C4NC3=O)Br)F)O)OC 1 3.123 3 4 0 2.61320026096851 3531884 C1CCC(C1)N2CC(CC2=O)C(=O)NCC3CCCO3 1 0.493 2 3 0 -19.7261619460787 3531747 CC(=NNC(=O)N)CC(=O)NCC1=CC=CO1 1 -0.731 4 3 0 -14.4750562888445 3531704 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)OC4=CC=CC=C4)C5=NOC(=C5)C)O 1 4.201 2 6 0 -14.7533199240264 3531662 C1=CC(=CC=C1NC(=O)CSC2=NC(=O)C=C(N2)N)[N+](=O)[O-] 1 0.765 5 4 0 -17.0785828399742 3531567 CC1CCN(CC1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)NC4=C(C=CC=C4F)F)C 1 2.221 4 4 0 -26.4809772660945 3531453 CCC(C)N1C(=O)C2=CC=CC=C2NC1=S 1 3.392 2 1 -5.69304525996191 3531348 CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)N)C 1 1.55 3 3 0 -35.3007291767272 3531308 CN(C)C1=CC=C(C=C1)C=NNC(=O)C(C2=CC=C(C=C2)Br)O 1 2.976 3 2 -8.41025059314051 3531264 CC(C(=O)NC1=C2CS(=O)CC2=NN1C3=CC=CC=C3)OC4=CC=CC=C4 1 2.69 3 3 -6.98675236709954 3531117 CCCCOCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 2.577 3 4 0 -28.912393069966 3531031 COC(=O)C1=CC(=CC=C1)N2C(=O)C3CC=CCC3C2=O 1 1.866 1 4 0 -6.75840402151786 3530970 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)NC4=CC(=C(C=C4)F)F 1 4.141 2 4 -8.15147179000028 3530846 CCCCCN1C2=CC=CC=C2N=C1C(C)NC(=O)CCC 1 4.264 3 1 -18.0659457360789 3530832 CC1=CC(=NC2=NC(=NN12)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C 1 1.845 7 3 0 -8.53631960507055 3530726 CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NCCN2C(=O)CSC2=O)[N+](=O)[O-] 1 0.866 4 7 0 -28.6591890600315 3530715 CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(C)C(=O)NCC4CCC(CC4)C(=O)O 1 5.668 1 6 0 -22.6901375768613 3530658 CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)Br)C 1 5.934 3 1 -7.63744777352569 3530645 CCCCN(CC)CC1=CC=C(O1)CNC(=S)NC2=C(C=C(C=C2C)C)C 1 6.565 3 1 -8.46587996118187 3530643 CCCCN(CC)CC1=CC=C(O1)CNC(=O)NC2=CC=C(C=C2)F 1 3.746 3 2 -5.67807595349646 3530633 CC1CCC(C(C1)OC(=O)CSC2=NN=C(S2)N)C(C)C 1 3.485 3 2 -8.49706261662653 3530632 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.082 3 6 0 -24.24239394014 3530631 C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=NC4=CC=CC=C4N3 1 4.088 3 1 -9.57043068881378 3530334 CC(=O)CN1C(=O)C(=C(C=N1)NCC=C)Br 1 -0.213 3 2 0 -9.9233931604334 3530306 C=CCNC(=O)C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=CC=C3 1 3.982 2 1 -4.94101895244579 3530267 CCOC(=O)N(C1=CC=CC=C1)NC(=O)C(C(C)C)(C(C)C)O 1 3.127 2 4 -14.7453866883968 3530266 CC1=CC(=NC2=NC(=NN12)SCC(=O)C3=C(N(C(=C3)C)CC4CCCO4)C)C 1 3.074 5 2 0 -21.2390418793367 3530229 CC(CN1C=C(C2=CC=CC=C21)C=NNC(=O)OC)COC3=CC=CC=C3 1 4.305 3 3 -4.38203836615567 3530212 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CN=C(C=N2)C)S(=O)(=O)N(C)C 1 0.334 4 5 0 -21.0122325793247 3530127 CC(C)(C)C1=CC=C(C=C1)OCCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C 1 2.81 5 3 0 -8.04318810267582 3530177 CC1=CC(=NN1CC(=O)NNC(=S)NC2=CC(=CC=C2)OC)[N+](=O)[O-] 1 2.338 6 4 0 -16.1896585639876 3529996 C1=CC(=CC=C1CC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])[N+](=O)[O-] 1 2.026 4 6 0 -5.64622964397142 3529995 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC2=NCC(S2)C 1 2.422 3 2 -18.0810238904738 3529980 CC1=CC=C(C=C1)C(=O)COC(=O)C2=CN3C=CC=CC3=N2 1 2.596 2 3 -12.1350345698107 3529948 CN1CN(C2=CC=CC3=C(C=CC1=C32)[N+](=O)[O-])C 1 2.758 3 2 -2.49797404985265 3529927 CC1=CC=C(O1)C=C2C(=O)N3C(=NN=C3S2)C4=CC=CC=C4Cl 1 3.98 3 2 -5.02345908668605 3529867 C1CCN(CC1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-] 1 3.208 2 3 -3.62732136928379 3529762 CCNC1=NC(=NC(=N1)NN=CC2=CC=C(C=C2)OC)NCC 1 1.844 7 1 0 -4.59580682901881 3529744 CCOC(=O)CN1C(=O)C2CC3=CC=CC=C3CN2C1=S 1 2.524 2 3 -7.99862427575963 3529610 CC(=NNC(=O)C1=NN(C=C1Br)C)C2=CC(=CC=C2)NC(=O)C3CCCC3 1 3.281 5 2 0 -6.47698749659203 3529531 COC(=O)CN1C(C2=C(C=CC(=C2)Cl)N=C1C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 5.482 2 2 -4.00972565203651 3529487 C=CCCCCC1=NC2=CC=CC=C2C(=O)N1N 1 2.438 3 1 -8.68081506563461 3529475 CC1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=C(C=C4)Cl 1 6.713 6 1 0 -13.977777362925 3529468 CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)OC)C4=C(S2)C(=O)N(C=N4)C5=CC=C(C=C5)C(=O)C)C 1 4.463 3 5 0 -12.1134198521676 3529403 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.217 2 4 -11.9680525395364 3529267 CC(C)(C)C1=C(C(=CC=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)O 1 6.135 0 2 -1.90198373898856 3529256 CC1=CC(=C(C(=C1)C)NC(=S)N(CCOC)C(C)C2=CC=CS2)C 1 6.183 2 1 -6.58454372778822 3529224 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])OCCO 1 4.316 1 5 -5.2660105765565 3529115 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCCN2C(=O)C3=C4C(=C(C=C3)N5CCOCC5)C=CC=C4C2=O 1 2.241 3 7 0 -12.1714344962923 3529100 CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 4.04 2 4 -7.79953046628223 3529029 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NC=CS4 1 4.088 3 1 -12.805376534252 3529032 CC1=NN=C(S1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4 1 3.825 4 1 -17.9401311873796 3529049 CCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=CC=C3)O 1 2.492 3 4 0 -6.21926336587245 3529020 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSCCC2=CC=CC=N2 1 2.453 3 4 0 -13.7336737723262 3529007 CC1=CC=C(C=C1)S(=O)(=O)CC(COC2=C(C=C(C=C2)F)Cl)O 1 3.833 0 4 -7.10249136241051 3528924 CC1=CC=CC=C1NC(=S)N(CCOC)C(C)C2=CC=CS2 1 5.211 2 1 -8.18601862467213 3528921 CC1=CC(=C(C=C1)NC(=S)N(CCOC)C(C)C2=CC=CS2)C 1 5.697 2 1 -8.28627271913413 3528920 CC(C)C1=CC=C(C=C1)NC(=S)N(CCOC)C(C)C2=CC=CS2 1 5.919 2 1 -5.72777872117909 3528861 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC3=NC4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5 1 3.579 5 4 0 -7.53855567819357 3528812 CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=CS3)C 1 3.251 2 2 -12.1980582674933 3528811 CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=O)CC(C)C)C 1 3.008 2 2 -15.9500148430681 3528810 CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=O)CCC3=CC=CC=C3)C 1 3.788 2 2 -16.4605012633359 3528803 COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)CSC 1 0.127 4 6 0 -19.5200357005956 3528731 COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=O)CC3=CC=CS3 1 2.28 2 4 -17.1780337375973 3528743 CC1=CC(=C(C=C1CN2CCN(CC2)C3=NC=CC=N3)C)OC 1 2.611 4 1 7.59116761604169 3528649 C1=CC(=CC=C1CON=CCC(=O)NC2=C(C=C(C=C2)F)F)[N+](=O)[O-] 1 2.778 3 4 0 -5.40743989231138 3528549 CC1CC2=C(C(NC3=CC=CC=C3N2)C)C(=O)O1 1 1.817 2 2 0 -15.0381428984725 3528515 CC1=CC2=C(C=C1)NC(=C2CC(=O)NCC3=CC=CC=C3)C 1 3.581 2 1 -7.04458081486541 3528489 CN(C)S(=O)(=O)OC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.658 3 6 0 -12.0515255305327 3528472 CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)Br)C(=O)NC3=CC=CC=N3 1 3.419 4 1 -26.0768251513696 3528446 C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3)F 1 1.509 4 4 0 -22.4106640935391 3528432 CCOC1=CC=CC=C1C=NNC(=O)CNC(=O)COC2=CC=CC=C2 1 1.91 3 4 0 -12.7397145503855 3528405 C1COCCN1CCC2=CN3C(=C(C=N3)C4=CC=C(C=C4)Cl)N=C2C5=CC=C(C=C5)F 1 4.52 4 1 5.99679367398658 3528398 C1C2CC3(CC1CC(C2)(C3)Br)C(=O)NCC4=CC=CC=C4 1 3.645 1 1 -6.94685095680935 3528369 COC1=CC2=C(C=C1)C3=C(C2=NN)C=C(C=C3)OC 1 2.452 2 2 -1.85937037530985 3528206 CNC1=NC(=C(C(=N1)NC2=CC(=CC=C2)F)[N+](=O)[O-])N 1 1.253 6 2 0 1.43684898966083 3528190 CCCC1C(=C(NC(=S)N1)C)C(=O)C 1 1.973 2 1 0 -19.3773003006063 3528173 C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)COC5=CC=CC=C5 1 3.74 3 2 -5.64324022819004 3528155 CC1=CC(=C(C(=O)N1)S(=O)(=O)C2=CC(=CC=C2)Cl)C 1 2.107 1 3 -12.6285860280449 3528154 C1=CC=C2C(=C1)N=C(N2O)C3=CC=C(C=C3)Cl 1 1.809 2 1 0 6.55462715454549 3528138 COC1=C(C=CC(=C1)C=NNC2=CC(=C(C=C2)Cl)C(=O)O)OC(=O)C3=CC=CO3 1 4.553 2 6 0 -8.42565560420256 3528049 CC1=CC=C(O1)C(C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)OC)OC 1 4.369 0 4 -3.27929245341596 3528048 CC1=C(SC2=C1C(=O)NC(N2)C3=CC=C(C=C3)C(=O)OC)C 1 2.722 2 3 -5.18810983113044 3527972 CC(C)OC1=CC=C(C=C1)C(=O)NC2(C(=O)N(C(=O)N2)CCCC3=CC=CC=C3)C(F)(F)F 1 4.372 3 4 0 -6.75530384084099 3527955 CN(C)CC(=O)NC1=CC2=C(C=C1)C=NN2 1 0.6 4 1 0 -7.87601572302587 3527953 CC(C)(C)C1=CC=C(C=C1)CN2C(=O)CSC2=O 1 3.235 1 2 -4.99648143967818 3527925 CCOC1=CC=CC=C1C2C(=C(OC3=C2C(=O)N(C(=C3)C)C)N)C#N 1 1.424 3 3 0 -14.833860280527 3527850 CC(C)CCN1CCC(=NC1=O)N 1 0.928 3 1 0 -5.92661785561909 3527826 C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 1.968 4 4 0 -18.4069436898199 3527813 CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)C 1 3.435 4 4 0 -16.3613200003371 3527795 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC3=CC=CC=C3C=C2O 1 2.177 2 6 0 -11.4535110277951 3527790 CC1=NN=C(S1)SCC(=O)NC2=NSC(=N2)C3=CC=C(C=C3)C(C)(C)C 1 3.917 5 1 -8.82630503370005 3527788 CC1=C(C(=NC(=C1[N+](=O)[O-])C)Cl)C(=O)NCC=C 1 2.041 3 3 -9.16795047944517 3527771 C1CC2=CC3=C(C=C2C1)NC(=O)CC3C4=CC(=CC=C4)[N+](=O)[O-] 1 3.511 2 3 -8.28837526034072 3527755 C1=CC=C(C=C1)CC2C(=O)N(C(=O)N2)CC(=O)NC3=C(C(=C(C=C3)F)F)F 1 2.338 3 3 -7.99539016328342 3527724 CC1=CC(=C(C=C1)NC(=O)CNC(=O)OCC2=CC=CC=C2)C(C3=CC=CC=C3)NCC(=O)OC 1 3.58 3 5 0 -17.0948066577969 3527666 C1COCCN1CCNC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3Cl 1 3.042 3 2 -17.705077594103 3527622 COC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NCC4=CC=CS4 1 2.748 5 3 0 -27.6320113831165 3527591 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=O)NC2=CC=CC=C2 1 2.254 5 5 0 -11.7228800390396 3527584 CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC1=S 1 4.253 3 2 -15.6875688552637 3527478 CC1(C2CCC1(C3=NC(=S)NN=C23)C)C 1 2.824 3 0 -9.50784359860751 3527464 CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC=CC=N4 1 2.407 9 3 0 -24.4906153473802 3527462 CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCC3=CC=CO3 1 1.549 3 4 0 -7.39685492848842 3527455 CCOC(=O)C1=C(NC(=C(C1C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)C(=O)OCC)C)C 1 -0.531 2 9 0 -28.3278741708914 3527385 CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC=C(C=C2)C(C)(C)C 1 5.196 3 0 -6.66418328916299 3527384 CC(=NNC(=S)NC1=CC=CC=C1)CC2=CC=C(C=C2)OC 1 4.075 3 1 -7.07771895705773 3527360 CCOP(=O)(C(C1=CC(=C(C(=C1)OC)OC)OC)O)OCC 1 1.387 0 7 0 -7.29165641403902 3527350 CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)CC(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.39 1 8 0 -18.2554125839296 3527272 C1=CC=C(C=C1)NC(=O)NCCCC(=O)O 1 0.997 2 3 0 -14.1168816997853 3527219 CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCC3=CC=C(C=C3)OC 1 2.567 4 3 0 -8.9015396363917 3526930 CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC)CCC3=CC=CC=C3 1 3.64 3 4 0 -10.5414898945892 3526821 CC1=NNC(=O)C1CCC(=O)NN=CC2=CC(=CC=C2)Cl 1 1.325 4 2 0 -16.3657796883831 3526737 CC1(CC2(N(CCO2)C(=S)N1)C)C 1 1.676 2 1 0 -6.93493508919898 3526634 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NC4=CC=CC=C4C=C3 1 3.263 3 3 -19.7003275083502 3526583 CCC1=CC=C(C=C1)N2C3=C(C(=O)N=C(N3)SCC(=O)OCC)SC2=S 1 5.208 3 3 -16.7055651647707 3526580 CCN(CC)C(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)SC(=S)N2C4=CC=CC=C4 1 5.939 4 3 0 -21.6431141162734 3526515 CCOC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=C(C=C2)F 1 2.867 1 4 -13.0903155667038 3526439 CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)NCCCO)C4=CC=CC=C4)C 1 3.778 3 2 -6.03232878648114 3526368 CC1=CC=C(C=C1)CN2C=CC=C2C=NNC(=S)NC3=CC=C(C=C3)C 1 6.232 4 0 -8.40077816380402 3526259 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 0.833 2 6 0 -18.5434644542195 3526228 CC(C)(C)C1=CC(=NC2=CC=CC=C2N)C=C(C1=O)C(C)(C)C 1 4.499 2 1 2.1218159113679 3526124 CSC1=CC=CC(=C1)NC(=O)C2C3C=CC4(C2C(=O)N(C4C(=O)NC5CCCCC5)CCN6CCOCC6)O3 1 1.53 4 5 0 -2.96144035280501 3525948 CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 3.417 3 5 0 -17.5089786322772 3525947 CN1C(=NN=N1)SC(C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC 1 2.562 5 2 0 -18.2380561397279 3525920 COC1=C(C=CC(=C1)C=NNC2=CC(=C(C=C2)Cl)C(=O)O)OC(=O)C3=CC=CC=C3F 1 5.364 2 5 0 -8.41700206075573 3525907 CCN1CCCC(C1)NC(=O)C2=C3CCCCC3=CS2 1 3.481 2 1 -2.78373675686869 3525904 CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 3.772 3 4 0 -13.5333691151375 3525896 CCC(CO)NC(=O)C1=CC2=C(S1)CCC2 1 2.28 1 2 -10.4138634931399 3525885 CC(C)C(C)NC(=O)COC1=CC=C(C=C1)OCC2=CC=CC=C2 1 4.009 1 3 -7.48611723557155 3525804 CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])CC(=O)OC 1 1.263 4 6 0 -19.8549116012322 3525773 CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=CS2 1 2.543 3 5 0 -20.9741100870896 3525684 CC(=O)N(CC1=CC=C(C=C1)Cl)C2=NC=CN=C2 1 1.642 3 1 0 -1.89356813510835 3525680 COC(=O)C1=CC=CC=C1N2CCS(=O)(=O)CC2 1 1.264 1 4 0 -6.15404559763955 3525635 CC1=C(C2=CC=CC=C2N1)C(=O)CN3C(=O)C(NC3=O)(C)C4=C(C=C(C=C4)Cl)Cl 1 4.099 3 3 -0.238024577556291 3525607 CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)NCCOC 1 2.584 3 3 -7.28656075865681 3525545 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCN3C(=O)C4=CC=CC=C4N=N3 1 2.219 4 5 0 -22.2683033262983 3525501 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=C(C=CC=C3F)F 1 3.24 3 2 -5.92821301604369 3525489 CCCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=CC=CC=C3O2)Cl 1 2.701 5 4 0 -2.28274706574085 3525483 CC1=CC=CC2=C1NC(=C2CCNC(=O)C3CCCCC3C(=O)OCC(F)(F)F)C 1 4.747 2 3 -5.35730075880852 3525382 C1=CC(=CC(=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Br)CO 1 4.493 2 3 -6.04796149808175 3525351 C1CCC2=NC3=CC(=NN3C(=C2C1)C(F)(F)F)C(=O)NC4=C(C=C(C=C4)F)F 1 4.618 4 1 -9.82419769647957 3525345 CN(C1=CC=CC=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCOCC4 1 2.659 2 3 -0.207813928225106 3525333 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(N3C(C)C)C4=CC=C(C=C4)OC 1 3.721 7 4 0 -16.4994175457712 3525226 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C 1 1.484 4 6 0 -24.7161443630589 3525144 CC(C)OC1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC=CS4 1 2.853 3 4 0 -16.4541020961999 3525118 CC(C)(C)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl 1 3.686 2 3 -18.8365676881722 3525111 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)NCC(F)(F)F 1 1.325 3 3 0 -12.5124767658517 3525081 COC1=CC=CC(=C1OC)C(=O)NC2=NN=C(S2)C3=CC=CC=C3 1 2.98 3 3 -9.83759756525394 3525040 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)NCC3=CC=C(C=C3)Cl 1 2.6 4 3 0 -16.3200012453674 3524968 CC1=CC(=CC=C1)NC(=S)N(C)CC2=CN(C3=CC=CC=C32)C 1 5.617 3 0 -1.13225462671917 3524967 CC1=CC=C(C=C1)NC(=S)N(C)CC2=CN(C3=CC=CC=C32)C 1 5.617 3 0 -2.92250595352352 3524938 COC1=CC(=CC(=C1)NC(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)OC 1 2.24 2 6 0 -15.7929487783284 3524797 CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=NC(=O)C4=CC=CC=C4)CC5=CC=CO5 1 3.116 4 5 0 -21.1763378301262 3524739 CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CSC(=S)N4CCN(CC4)C 1 4.255 5 1 -11.118250493138 3524676 CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=CC=C3F)N 1 3.671 3 4 0 -7.46351435009855 3524607 CC1=C(SC(=C1C(C2=CC=C(C=C2)OC)NC3=CC=CC=N3)NC(=O)C4=CC=CO4)C 1 4.804 3 3 -7.15333065717067 3524603 CC(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)NC 1 2.42 2 1 -2.02168937107869 3524600 COC1=CC=C(C=C1)CC2=C(N=C(N=C2N)N)N 1 1.368 5 1 0 -1.04506651244179 3524599 C1C2CC3CC1CC(C2)C3(CC(=O)NCCO)C4=CC=C(C=C4)Cl 1 3.373 1 2 -4.2581509383988 3524598 CC1=CC=C(N1C(CC(=O)OC)C2=CC=C(C=C2)C#N)C 1 2.867 2 2 -8.74476954222881 3524572 CC1=CC=C(C=C1)NC(C2=CC=CC=C2)C3=NC4=CC=CC=C4NC3=O 1 4.363 3 1 -11.6339656302158 3524548 C=CCC1(C(=O)NC(=O)NC1=O)CN2CCCC2=O 1 -0.544 3 4 0 -18.4110628297792 3524543 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)COC3=CC=C(C=C3)C(C)C 1 3.482 5 3 0 -21.2225819831015 3524533 C1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)N(C4=O)CCO)C5=CC=CC=C5 1 2.539 1 3 -2.72233008225756 3524504 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O 1 2.073 4 4 0 -19.7255075551808 3524455 CC1=CC=C(C=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)C)C 1 2.791 2 5 0 -14.5174137707936 3524388 CN1C=C(C2=CC=CC=C21)C(=O)C(F)(F)F 1 3.157 1 1 -4.54532303708527 3524247 CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC2CC2 1 1.261 2 3 0 -15.4399942462503 3524223 C1COC2=C(O1)C=CC(=C2)C(=O)NCC(=O)NN=CC3=CC(=CC=C3)Br 1 2.277 3 4 0 -13.7649661264667 3524212 C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC3=CC=C(C=C3)Br 1 4.801 1 2 -7.49542165225119 3524175 C1=CC(=C(C=C1Cl)Cl)CNC(=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 4.216 2 5 0 -13.0348246300689 3524144 CCN(CC)CCCNC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CC(CC(C3)C)C)C 1 3.69 3 4 0 -14.0001244017391 3524010 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C 1 1.442 4 3 0 -24.3243909236601 3524009 CC1=CC=C(C=C1)OCCNCC(COC2=CC=CC(=C2)C(=O)C)O 1 2.764 1 4 -3.16460202763547 3524006 CC(C)C(C(=O)NCC1=CC=CC=C1OC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.481 2 6 0 -25.8603400257176 3523985 C1=CC(=C(C=C1F)F)NC(=O)C=NOCC#N 1 0.996 3 2 0 -5.34645313602621 3523871 COC1=C(C=C(C=C1)C2=NN3C(=NN=C3SC2)C4CCCCC4)OC 1 4.149 4 2 -5.76799671453901 3523776 C1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3 1 1.812 6 3 0 0.770471484242797 3523674 C1=CC(=CC=C1CCN2C=CN=C2)N 1 1.081 3 0 0 2.57341336783957 3523673 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(=O)O 1 3.177 1 3 -1.63775132216097 3523610 CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 4.19 2 5 0 -11.3344869888351 3523586 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCCN3CCN(CC3)C)N4CCN(CC4)C 1 3.381 7 0 0 -4.77213789456484 3523501 CC1=CC=CC=C1CN2C(=O)C3=CC=CC=C3SC2=O 1 4.045 1 2 -1.32862113005348 3523449 CC(=NNC1=C(C=C(C=C1)F)F)C2=CC=C(C=C2)F 1 4.045 2 0 -0.580345368657696 3523397 CNC(=O)C1=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F 1 3.02 1 3 -10.7173694198455 3523319 CCN1C(=O)C2=CC3=C(CC(OC3)(C)C)N=C2N=C1SCC(=O)NC4=CC=C(C=C4)OC 1 2.55 4 4 0 -23.1351044155618 3523281 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CC2 1 1.024 2 3 0 -14.1456835343454 3523254 COCCN1C(=CC(=O)NC1=O)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3 1 2.294 4 4 0 -13.7965148662739 3523252 C1COCCN1C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-] 1 1.979 2 4 0 -5.19561781905938 3523219 CCCCC(CC)CNC(=O)CN1C(=O)C2=C(C=CS2)NC1=O 1 2.8 3 3 -16.3360833465729 3523215 COC1=CC2=NC(=C(C=C2C=C1)C=NO)Cl 1 2.7 2 2 7.97262322445894 3522990 CN1C2=C(C=N1)C(=O)N3CCC4=CC(=C(C=C4C3C2)OC)OC 1 1.627 3 3 0 -9.49711295702551 3522948 CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)NCCC(C)C)Cl 1 0.432 4 2 0 -15.1663956929301 3522947 CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)NCC3=CC(=CC=C3)OC)Cl 1 0.419 4 3 0 -11.5898837561231 3522811 CC1=NC2=C(C(=N1)SCC(=O)NCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C 1 1.737 5 3 0 -24.2446965452178 3522807 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.03 4 3 0 -17.1404585274115 3522788 CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)Cl)Cl 1 2.952 3 4 0 -9.44754853563631 3522635 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C)NC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 2.336 4 5 0 -14.1573332536545 3522600 CCC1=CC=C(S1)S(=O)(=O)NCCC2=CN3C=CC=C(C3=N2)C 1 2.613 3 2 -9.85350109928163 3522377 C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)F)F 1 3.487 1 1 1.3821941501 3522326 CCOC(=O)C1=C(SC(=C1C)C)NC=C2C(=O)CC(CC2=O)(C)C 1 2.646 1 4 -17.8182808751056 3522250 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C2=NNC(=O)C3=CC=CC=C32 1 0.499 5 4 0 -21.1207855031568 3522147 C1=CC(=C(C=C1Cl)Cl)CC2=C(N=C(N=C2N)N)N 1 2.714 5 0 1.7044899567939 3522145 CCOC(=O)C1=CN=C(N=C1C(F)(F)F)C2=CC=CC=C2 1 3.246 2 2 1.03336245154159 3522084 COC1=CC2=C(C=C1)C3(CCC2)C(=O)N(C(=O)N3)CC(=O)N 1 0.552 3 4 0 -4.2434518339639 3522024 CCC1C(=O)N(C(=O)C(S1)CC)CC(=O)NC2CCCCC2 1 2.464 2 3 -11.3114274230747 3521979 COC1=CC=CC(=C1)NC(=O)CC2C(=O)N(C(=NS(=O)(=O)C3=CC=CC=C3)S2)C4=CC=CC=C4 1 4.243 3 5 0 -13.472350584254 3521948 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N(CC=C)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 5.692 3 2 -2.96863920444181 3521786 CCC(C)SC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C 1 4.275 4 2 -10.8741011282854 3521783 CCOP(=O)(C(C(F)(F)F)NC(=O)C1=CC=CS1)OCC 1 2.21 1 4 -13.2887477374149 3521740 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC(=C(C=C3)F)F 1 2.375 3 2 -11.1282356241822 3521675 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC(=CC=C2)Cl)C3=CC=CC4=C3N=CC=C4 1 4.565 4 3 0 -12.3239177398165 3521624 CCN1CCN(CC1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N(CC)CC)C 1 3.655 4 2 -21.2064776954648 3521602 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCN3CCOCC3)CC4=CC=CC=C4 1 3.088 4 4 0 -16.9056222957854 3521593 CC(C1=CC2=C(CCCC2)C=C1)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 3.965 2 3 -17.3454780634207 3521535 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CC=N3 1 1.585 5 4 0 -14.6256429194919 3521510 CCC(C)(C1=NN=NN1C2=C(C=CC=C2C)C)N(C3=CC=CC=C3Cl)N=O 1 5.287 6 1 0 -8.91077576628406 3521424 CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N 1 1.727 4 2 0 -16.7293087462238 3521296 CN(C1=NC2=CC=CC=C2N=C1C(F)(F)F)NC(=O)C3=CC=CO3 1 2.974 4 2 -3.58864732845143 3521227 CC1=CN2C(=NC(=C(C2=O)C=NNC3=NC(=CC(=N3)C)C)Cl)C=C1 1 1.365 6 1 0 -11.0657600017642 3521180 CCCCOC1=CC=C(C=C1)NC(=O)C2C3C(C4C(O2)OC(O4)(C)C)OC(O3)(C)C 1 1.551 1 7 0 -20.8227150271163 3521165 CC(=NNC(=O)CNC(=O)C1=CC(=CC=C1)F)CC2=CC=CC=C2 1 1.954 3 2 0 -13.1636913753409 3521162 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NN=CC3=CC=CC=C3 1 0.853 6 3 0 -21.0341079544117 3521138 CC1=NN(C(C1)(C2=CN=CC=C2)O)C(=O)CC3=CC(=C(C=C3)OC)OC 1 1.203 3 4 0 -11.3194753320693 3521058 CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C 1 3.636 2 3 -11.4590974322439 3521030 CCOC1OC2C(OC(C2O1)N3C=NC4=C3N=CN=C4N)CO 1 -0.253 5 5 0 -9.25031095325611 3520990 CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-] 1 3.958 5 3 0 -15.1865577920975 3520928 CCOC(=O)C1=C(NC(=C1C)C(=O)CN2C(=O)C(NC2=O)(C)C3=CC4=CC=CC=C4C=C3)C 1 3.461 3 5 0 -7.29370822498717 3520902 CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-])Cl 1 4.873 3 5 0 -17.9045142363673 3520898 CCN(C1=CC=CC(=C1)C)C(=O)CSC2=C(C=CC=N2)C(=O)OC(C)C 1 4.019 2 3 -20.2742356508497 3520897 CCN(C1=CC=CC(=C1)C)C(=O)CSC2=C(C=CC=N2)C(=O)OCC 1 3.641 2 3 -18.0219380517287 3520885 CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCCN3CCOCC3 1 3.116 3 3 -5.0412384963825 3520883 CCOC(=O)C1=CN=C2C(=C1NCCCN(C)C)C=NN2C 1 0.942 5 2 0 -6.51146292022802 3520827 CC1=C(C=C(C=C1)NC(=O)CCC(=O)NN=C(C)C2=CC=CS2)C 1 2.925 3 2 -12.5823667725517 3520797 COC1=C(C=C(C=C1)CCN2C3=C(C=C(C2=N)C(=O)NCC4CCCO4)C(=O)N5C=CC=CC5=N3)OC 1 1.484 5 5 0 -29.490231770555 3520636 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)OCC(=O)NC4=CC=C(C=C4)Cl 1 3.348 2 5 0 -9.84790827765215 3520612 CC(C)CC(=O)C1=CNC(=C1)C(=O)O 1 1.959 1 3 0 -3.39238181224798 3520601 CC1=C(C=CO1)C(=O)NNC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.418 4 4 0 -8.39492671965847 3520565 CCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 1 1.073 4 4 0 -15.0711057627394 3520535 CC1=C(C=CC(=C1)Cl)OCC(CNCCC2=CC=C(C=C2)S(=O)(=O)N)O 1 2.666 2 4 -2.14780536440645 3520528 C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4CC=CCC4C(=O)O 1 0.485 3 3 0 0.546064405673704 3520518 CCC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4O3 1 3.78 3 2 -10.5967883682985 3520407 CC1CCCCC1=NNC(=S)NC2=CC=C(C=C2)C 1 4.759 3 0 -7.95475221622815 3520383 CCCCN1C(=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C1C)C 1 3.731 1 2 -1.32974170550878 3520356 C1CC(OC1)CNC2=NC(=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])N 1 1.406 6 3 0 -2.9591018420641 3520283 CN(CC(=O)NC1=C(SC=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)F 1 1.105 3 5 0 -11.6242636613825 3520224 C1=CC=C(C=C1)C=NNC(=O)CNC(=O)COC2=CC=CC=C2 1 1.578 3 3 0 -13.0131756433273 3520215 COC1=CC=C(C=C1)N2C(=O)C(NC2=O)(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.228 3 5 0 -2.64183629856417 3520136 C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C=NNC(=O)CC#N)C4=CC=CC=C4 1 4.43 5 1 -15.063284074074 3520069 CCC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3C)C4=CC=CC=C4)C 1 3.402 2 3 -12.8212521682902 3520063 COC1=CC(=CC(=C1)C(=O)NCCN2C=CC3=CC=CC=C32)OC 1 3.153 2 3 -14.1812876237789 3520060 C1COC(=CO1)C2=NN=C(O2)NC(=O)C3=CC(=CC=C3)Br 1 1.117 3 4 0 -5.70437348738157 3520029 CC1CC(CN(C1)C2=NC3=C(N2CCSC4=NC=CC=N4)C(=O)N(C(=O)N3C)C)C 1 2.472 7 2 0 -17.5661625339247 3519928 C1COCCN1CC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 0.386 2 4 0 -8.49791484669017 3519901 CC(=CCC1=C(C=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)O)C 1 4.23 0 5 0.901842707457732 3519859 CC1(CC(=O)C2=C(O1)C=CC(=C2)O)C 1 1.828 0 3 0 -4.43617554541308 3519775 C1CC(=O)NC1C(=O)NCC2=CC=CC=C2 1 0.407 2 2 0 -15.1146723263997 3519582 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=CS2 1 2.556 4 2 -18.6732882601529 3519554 CCOC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)F)OCC 1 3.924 1 2 -12.4622908807066 3519541 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C)(C)C=O 1 5.411 0 2 0.89740822899097 3519476 CC1=NN(C(=O)N1C2=CC=CC=C2Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.434 4 1 0.121646820990165 3519473 CC1=NNC(=O)N1C2=CC=CC(=C2)C(F)(F)F 1 1.934 3 1 0 -0.39020139189474 3519472 CC=NNC(=O)COC1=C(C=CC(=C1)C)C 1 1.719 2 2 0 -5.49550500975973 3519428 C1CN(CCN1CC2=CC=C(C=C2)Cl)C3CC(=O)N(C3=O)CCC4=CC=CC=C4 1 3.549 3 2 5.58154685201117 3519418 CC(C)CCNC(=O)C1=CC(=CN(C1=O)CCC(C)C)C(=O)C2=C(C=CC(=C2)Br)O 1 4.082 2 4 -10.6021142287325 3519283 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3 1 1.829 4 5 0 -25.2767457842765 3519224 COC1=CC=C(C=C1)C2=CN3C=C(C=NC3=N2)Br 1 2.864 3 1 2.17081253648246 3519223 CC1=NN(C(=O)N1C2=CC=CC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.769 4 1 -0.311831049471069 3519185 C1COC(=O)C1OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 1.683 1 6 0 -10.072413512241 3519081 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)C(=O)OCC(=O)N2C(CC3=CC=CC=C32)C 1 2.552 2 6 0 -19.8599408180077 3519038 CC1=CC(=C(C(=C1C(=O)NCC2CCCO2)C)C(=O)NCC3CCCO3)C 1 2.422 2 4 -11.6419844188133 3519025 C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2COC3=CC=CC=C3O2 1 2.156 2 6 0 -9.9809913994528 3519010 CN1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CS4 1 1.464 3 4 0 -0.166486521641035 3518900 C[N+]1(CCCCC1)CCOC(=O)C2(CCCC2)C3=CC=CC=C3 1 2.841 1 2 -7.85490913004477 3518864 CC(=NNC(=O)CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F 1 3.398 3 4 0 -17.4785114583499 3518719 CC1=CC=CC=C1NC(=O)C(C(C(C(C(=O)NC2=CC=CC=C2C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C 1 2.113 2 10 0 -8.19751057089873 3518713 C1=CC=C(C=C1)CC2=C(N(C3=[N+](C2=O)N=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)[O-] 1 5.929 3 2 -7.47310072881235e-002 3518695 CC1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC 1 1.765 3 5 0 -23.4702658985702 3518678 C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC=C(C=C4)OC(F)F 1 2.802 1 5 -4.33868233579182 3518672 COC1=CC=C(C=C1)CC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)C=CC6=CC=CC=C65)C7=CC(=C(C=C7)OC)OC 1 6.039 4 4 0 -12.8264963730348 3518668 COC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCC4CCCO4 1 3.13 3 4 0 -23.3639058638104 3518644 COC1=CC=CC=C1C2=NN=C(O2)NC(=O)C3=CC4=C(C=C3)N=CS4 1 2.522 4 3 0 -9.30676469194877 3518600 CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 3.519 5 1 7.51662745815234 3518591 C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC(=CS3)Br 1 3.17 2 3 -4.65823279336164 3518450 C1=CC(=CC(=C1)F)CSC2=NC3=C(S2)C=C(C=C3)N 1 4.039 2 0 0.343889530919569 3518417 COC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-] 1 3.138 4 5 0 -13.9936706258463 3518412 CC1=C(C=C(C=C1)Cl)NC(=S)N(CCCN2CCOCC2)CC3=CC=CO3 1 4.852 3 2 -8.79675302235819 3518274 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NCC(OC)OC)C3=CN=CC=C3 1 2.198 4 5 0 -22.0379491521285 3518230 C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)Cl 1 3.471 2 5 0 -12.9661440119355 3518098 CC1=C(C(=CC=C1)C)NC(=S)N(CCOC)C(C)C2=CC=CS2 1 5.697 2 1 -7.67634949242004 3518095 CC(C1=CC=CS1)N(CCOC)C(=S)NC2=CC(=CC=C2)OC 1 4.708 2 2 -6.37868612821943 3518094 CC(C1=CC=CS1)N(CCOC)C(=S)NC2=CC=CC=C2OC 1 4.708 2 2 -8.9842677473257 3518093 CC1=CC(=CC=C1)NC(=S)N(CCOC)C(C)C2=CC=CS2 1 5.211 2 1 -4.60355260934326 3518029 COC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CN=CC=C4)N 1 2.849 4 2 -5.64406525883209 3517975 CC1(CC2=C(C(CC(=O)N2C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)C1)C 1 3.996 1 2 -12.2948048033346 3517927 C1CCC(CC1)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N 1 3.258 3 5 0 -14.5104657045285 3517909 C1=CC(=CN=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Br)C#N)N 1 3.413 4 0 -2.70552006603398 3517834 CC(=NNC(=O)C1=CC=CC=C1F)C2=CC=C(C=C2)C#N 1 2.748 3 1 -11.1216991158362 3517827 CCC(C(=O)OC)SC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 5.624 3 3 -5.32330846175632 3517796 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CC(C)(C)C 1 2.969 3 3 -17.5497068999617 3517787 C1CCN(CC1)C2=CC3=CC(=C(C#N)C#N)CCC3CC2 1 3.329 3 0 -1.70277284242957 3517731 CC1=CC(=C(C=C1CN2CCOCC2)C)OCC3=CC(=CC=C3)Cl 1 4.795 1 2 4.33156625266888 3517720 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3C#N 1 1.032 4 3 0 -9.48237857686808 3517487 CC1CCCC(N1C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C 1 1.503 2 4 0 -6.72290181899409 3517371 CCOC(=O)C(=CNC1=NC(=C(S1)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC 1 5.073 3 5 0 -0.999314980840443 3517293 CCCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)N4C=CC=C(C4=N2)C 1 3.416 4 3 0 -21.4542833361037 3517168 C1=CC=C(C=C1)OCC(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O 1 2.701 1 6 0 -7.32488720065107 3517082 CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCCCN3C=CN=C3 1 0.588 5 3 0 -5.38153602450346 3516986 C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4 1 2.977 2 7 0 -16.7116942340206 3516975 CC1=NC(=NC(=C1)C2=C(C=CS2)Br)N3C=CC=C3 1 4.379 3 0 -0.892606808179806 3516950 CC(C1=CC=CC=C1)NC(=S)N2CCOCC2 1 2.842 2 1 -12.6307092059718 3516945 CC(C(=O)NC1=CC=C(C=C1)C(=O)C)N(C)CC(=O)NC2=CC(=CC=C2)F 1 2.022 3 3 -11.0207767550303 3516935 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3Br 1 2.083 3 4 0 -23.938768427011 3516898 COC1=CC=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-] 1 3.292 3 5 0 -14.795103291541 3516854 CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=N 1 3.169 2 3 -3.16252176038622 3516847 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.089 1 3 -15.8663458694171 3516813 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)CC3=CC=CC=C3 1 3.395 3 3 -6.87869897196537 3516753 COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CN=CC=C3)C4=CC=CS4)OC 1 3.177 2 3 -19.7956529194972 3516716 CN1C(=CC2=C1N=C3C=CC=CN3C2=O)C(=O)N4CCOCC4 1 0.154 4 3 0 -16.0892730437359 3516701 COC1=CC=C(C=C1)CC(=O)OCC(=O)C2=CC=CN2 1 2.344 1 4 -7.24421460191667 3516620 CC1=C(C(=CC=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)N4CCCC4)C 1 6.433 4 3 0 -3.716662149491 3516613 COC1=C(C=C(C=C1)C(=O)NC2(C(=O)N(C(=O)N2)CCCC3=CC=CC=C3)C(F)(F)F)OC 1 3.629 3 5 0 -10.1121159013046 3516609 CC1=CC=C(C=C1)C2=NC(=NS2)NC(=O)CSC3=NC4=C(C=CC(=C4)OC)C(=C3)C 1 5.464 4 2 0.500153209384153 3516602 CCOC(=O)C(C)OC1=CC=C(C=C1)OCC2=CC=CC=C2 1 3.92 0 4 -9.16371999672436 3516533 C1=CC=C(C(=C1)C2C(C(=S)NC(=C2C#N)N)C(=O)N)F 1 0.88 4 1 0 -9.98597865136735 3516456 C1=CC(=CC=C1NC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N)Cl 1 1.172 6 3 0 1.83154296675795 3516389 CCOCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NCC4=CC=CO4 1 3.495 3 4 0 -23.3062388229255 3516324 CCCOC1=CC=C(C=C1)C(=O)CCNC(CC2=CNC3=CC=CC=C32)C(=O)O 1 1.254 2 4 0 -6.62497735981931 3516275 CC1=C(NC(=C1C(=O)C)C)C(=O)CN2C(=O)C(NC2=O)(C)CCC(C)C 1 2.542 3 4 0 -10.8035024342887 3516240 CCOC(=O)C1C(=C(C(=O)N1C2=CC=C(C=C2)OC)NC3=CC=C(C=C3)OC)C 1 3.218 2 5 0 -7.78341794369095 3516032 CCN1CCN(CC1)C(C2=CN=CC=C2)C3=CC(=C4C=CC=NC4=C3O)Cl 1 3.28 4 1 -0.393208104515903 3516021 CC1=CC=C(C=C1)C(=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4)C 1 3.236 8 2 0 -27.8503521824015 3515999 C1CNC(=O)CN2C1=NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Br 1 2.524 3 1 -11.3491490809145 3515860 CCOC1=CC=C(C=C1)C2C3=C(CCCC3=O)OC(=C2[N+](=O)[O-])N 1 2.02 2 5 0 -14.3195297895456 3515733 CN1CCN(CC1)C(C2=CC=CC=N2)C3=CC(=C4C=CC=NC4=C3O)Cl 1 3.253 4 1 3.61416126277877 3515653 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CS2 1 2.417 2 3 -17.4021550933906 3515582 CC1(NC2=CC=CC=C2S1)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.615 2 2 -3.72306269528404 3515581 CC1=CC(=C(C=C1)OCC(=O)NN=C(C)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3)Br 1 4.543 3 3 -0.961840093900156 3515532 COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=NC4=CC=CC=C4S3 1 3.536 3 5 0 -14.5694030106678 3515437 CCC(C)(C(=O)NC1CCCC1)N(C)C(=O)C2=CC=CC=N2 1 2.303 3 2 -15.3520893031436 3515101 CC1=CC(=C(C=C1Cl)OC)NC(=O)CNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.786 4 4 0 -18.939741481737 3515100 CC(C)C1=CC=C(C=C1)NC(=O)CNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.846 4 3 0 -15.9391317174999 3515087 CC1=CC(=NO1)NC(=O)CSC2=NC=CN2C 1 0.781 4 2 0 -17.6991211961537 3515072 CCOC(=O)N1CCC(=NNC(=O)COC2=CC=C(C=C2)C#N)CC1 1 1.144 4 4 0 -11.9579740370008 3515033 CC1(CC(CC(N1)(C)C)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C 1 1.58 4 3 0 -13.9587236594702 3515009 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=CC=CC=C4N=C3Cl)C(=O)C5=CC=CO5 1 4.854 3 3 -3.94846997829401 3514994 CC(C)OC(=O)C1=CC=CC(=N1)C(=O)OC2=CC=C(C=C2)Br 1 4.298 1 4 -11.6655705256367 3514838 CCS(=O)(=O)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCC3=CC=CC=C3OC 1 1.386 2 7 0 -22.6200416565909 3514770 COC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=CC=C3OC 1 3.642 3 5 0 -10.3186795532765 3514662 C1=CC=C(C=C1)C[N+]2=C(C=C(C=C2C(=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4 1 4.793 1 2 5.75277479459522 3514523 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=CN=C3)Br 1 2.906 3 3 -12.515844439147 3514433 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)CN3C(=CC(=N3)C)C 1 2.114 3 2 -7.43564527636882 3514336 C1C(CN(C1=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)C(=O)O 1 3.627 1 4 -5.74099688465652 3514320 CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=NC=C(C=C1)Cl)OC2=CC=C(C=C2)F 1 4.291 3 4 0 -2.50987455843526 3514319 CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC=NNC3=CC=CC=C3 1 2.042 6 2 0 -5.82538885641196 3514261 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)OC 1 0.187 2 6 0 -20.9768543218227 3514260 CCCC(=O)NC1=C(C=CC(=C1)C(=O)O)SC2=CC=CC=C2 1 3.821 1 3 -10.1438771896824 3514258 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)O 1 1.995 2 5 0 -16.6642922237423 3514222 C1CN2C(N(C(=O)N2C1)C3=CC(=CC=C3)Cl)C4=CC=CC=C4 1 3.219 3 1 -1.71040357349353 3514211 CC(C1CC2CCC1C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.838 2 3 -5.18922611904403 3514191 C1=CC=C(C=C1)CN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O 1 3.589 2 2 -8.03476041127315 3514126 COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)NN=C3CCCCC3)[N+](=O)[O-] 1 3.539 4 5 0 -12.0758314980511 3514089 CCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NOC(=C3)C)O)C(=O)C4=CC5=CC=CC=C5O4 1 4.552 2 6 0 -15.366609711333 3514052 COC1=CC=C(C=C1)NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCC4 1 2.71 3 4 0 -13.2822316982065 3514051 COC1=CC=CC(=C1)NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCC4 1 2.71 3 4 0 -13.0229205300436 3514050 COC1=CC=CC=C1NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCC4 1 2.71 3 4 0 -16.3427371587768 3513905 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC(C)C(=O)NC3CCCC3 1 1.922 2 6 0 -27.4769976853281 3513868 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CC4=CC=CC=C4Cl 1 2.209 2 6 0 -17.9000993409592 3513812 CC1=C(C=C(C=C1)C(=O)NCC(=O)NN=CC2=CC=C(O2)C)[N+](=O)[O-] 1 1.664 4 5 0 -16.5667281655621 3513807 CC1=C(SC=C1)C=NNC(=O)CNC(=O)C2=C(C=CC=C2Cl)F 1 3.052 3 2 -12.6500075797123 3513769 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)O 1 2.113 2 6 0 -19.8514018480051 3513763 CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl)Cl 1 5.855 1 3 -14.827987621091 3513759 C1CC(OC1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 1.747 2 2 0 -11.1398744183145 3513702 CC1=CC=C(C=C1)C(=O)NC2=C(C=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 3.592 2 3 -13.6015461325217 3513626 C1CN(CCC1=NOCC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.005 3 3 4.49209890445082 3513624 CCOC(=O)NC(=O)C(=NNC1=CC=C(C=C1)C(F)(F)F)C(=O)C 1 2.704 3 4 0 -0.277541800453159 3513548 CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3=CC=C(C=C3)OC)C(=O)C4CCCO4 1 2.925 2 4 -14.7906083232384 3513441 CC1CCC(CC1)N2CC(=O)N(C(C2=O)C3=CC=C(C=C3)C)C4CCCC4 1 4.248 2 2 -9.08796506252699 3513433 COCCNC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-] 1 2.07 4 4 0 -14.4205433368142 3513308 CC(=O)N(C1=NC(=CS1)C2=CC=C(C=C2)F)N=CC3=CC=CC=C3OC 1 3.934 3 2 1.21652517036828 3513158 CC1=CC=CC2=NC(=CN12)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)Cl 1 4.249 3 1 1.40441939553523 3513134 CC1=CC=CC=C1NC(=S)N(C)CC2=CN(C3=CC=CC=C32)C 1 5.617 3 0 -4.78573941253567 3513132 CN1C=C(C2=CC=CC=C21)CN(C)C(=S)NC3=CC(=CC(=C3)F)F 1 5.542 3 0 -2.44536281890932 3513078 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=CO5 1 3.862 4 3 0 -6.83411067203662 3512974 C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=C(C=N3)Cl)C(F)(F)F 1 4.78 4 0 7.22551566295138 3512954 CCCN1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCC(CC4)C 1 1.269 5 4 0 -26.2203434889476 3512895 CC1=CC=CC=C1C(=O)NCC2=NN=C(N2C(C)C)SCC=C 1 3.297 4 1 -21.2922309404999 3512637 COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O 1 2.357 0 6 3.88583410445986 3512516 CCOC1=CC=C(C=C1)NC(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)N5CCOCC5)N 1 4.304 4 3 0 -10.4379627424099 3512464 COC(=O)CSC1=C(C(=O)NC(S1)C2=CC=CC=C2)C#N 1 2.374 2 3 -14.8583674449421 3512462 C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)F 1 2.425 1 4 -14.8141996981308 3512428 CC1=CC(=NC2=C1C(=C(S2)NC(=O)OC)N3C=CC=C3)C 1 3.273 3 2 -5.70081279947451 3512427 C1CS(=O)(=O)C2=C(C1OC(=O)C3=CC=CC=C3)C=CS2 1 2.491 0 4 -7.891294643695 3512423 CC1=CC=C(C=C1)S(=O)(=O)CC(C)(C(=O)NC2=CC=CC(=C2)C(F)(F)F)O 1 3.328 1 4 -5.662944967966 3512351 CCOC(=O)C1CCCN(C1)C(=S)NC2CCCCC2 1 3.863 2 2 -14.6971668960043 3512309 C1CC2=CC=CC=C2N(C1)CC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 3.053 3 3 -15.4540098890604 3512248 CC1CC(CN(C1)C(=O)C2=CC3=C(C=C2)N=CS3)C 1 2.883 2 1 -11.0976210386489 3512077 CC1=C(C=CC=C1Cl)NC(=S)N(CC2=CN=CC=C2)CC3=CC=CC=C3Cl 1 6.879 3 0 -6.66626819503007 3512076 CC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=C(C(=CC=C3)Cl)C 1 6.701 3 0 -6.33780224126426 3512075 CC1=C(C=CC=C1Cl)NC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3 1 6.215 3 0 -7.06171477823483 3511928 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3.678 2 2 -1.86751058108362 3507983 CC1CCN(CC1)C(=O)CC2C3=C(NC2=O)N(C(=O)N(C3=O)C)CC4=CC=CC=C4 1 1.208 4 4 0 -22.208329801827 3507949 CN(CC1=NC(=O)C2=C(N1)C=CS2)CC3=NC(=O)C4=CC=CC=C4N3 1 1.304 5 2 0 -4.85605866753253 3507894 COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-] 1 4.473 3 5 0 -2.65516875019003 3507700 C1=CC=C2C=C3C(=CC2=C1)C(=O)N4C=CC=C(C4=N3)C(=O)NCC5=CC=CO5 1 2.179 3 3 -15.9294858894516 3507699 C1COCCN1C(=O)C2=CC=CN3C2=NC4=CC5=CC=CC=C5C=C4C3=O 1 1.307 3 3 0 -12.9773557977554 3507696 CCCSC1=C(C(=CC(=N1)C)C)S(=O)(=O)C 1 2.927 1 2 -9.01710915686528 3507671 C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.647 4 2 -5.2174229849628 3507590 CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)O 1 1.292 1 3 0 -10.0222561011092 3507586 CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C3N2C(=NC4=C3COC(C4)(C)C)C5=CC=C(C=C5)OC 1 4.874 5 3 0 -15.902500507736 3507543 CN(C(=O)C1=CC=CC=N1)C2(CCCCC2)C(=O)NC3CCCCC3 1 3.367 3 2 -16.1525624913471 3507361 CC1=CC(=CC=C1)OC(C)C(=O)N2CCCC3=CC=CC=C32 1 4.157 1 2 -10.2593193991461 3507286 CC1=C(C=C(C=C1)NC(=S)N(CCN(C)C)CC2=CC=CS2)C 1 5.482 3 0 -9.19051415453354 3507260 CC(C)C(=O)NC1=CC(=CC=C1)OC 1 2.063 1 2 -8.62148386350004 3507257 CC(=NNC1=NC2=CC=CC=C2N3C1=NN=C3)C4=CC(=C(C=C4)OC)OC 1 2.708 6 2 0 -3.84217299990884 3507182 CSC1=NCCN1C(=O)C2=CC3=CC=CC=C3C=C2 1 3.216 2 1 -3.49393115198265 3507033 CC1=C(C=C(C=C1)NC(=O)C2=C3CCCC3=NC4=CC=CC=C42)S(=O)(=O)N(C)C 1 3.468 3 3 -11.0012296318914 3507022 CCN(CC)C(=S)SC1CCCCN(C1=O)C(=O)C2=CC=CC=C2 1 4.668 2 2 -9.43545964921234 3506885 CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3=CC=CS3)C 1 3.402 2 2 -12.9133523189834 3506884 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 1.311 4 4 0 -16.9287433604266 3506882 CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)CNC(=O)C2CCCCC2)C 1 2.117 2 6 0 -21.2796073928726 3506816 C1CN(CCN1C2=C(C=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5)[N+](=O)[O-])C6=CC=CC=N6 1 2.761 5 4 0 1.8139090737656 3506793 CCOC(=O)C1=C(NC(=S)NC1C)C2=CC=CC=C2 1 2.701 2 2 -14.3198430062008 3506671 C1COC(=CO1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)Br 1 1.117 3 4 0 -5.78090485641896 3506632 CC1=C(N=C(S1)C2=CC=NC=C2)OC(=O)C3=C(C=C(C=C3)F)F 1 3.587 2 2 4.96728463277679 3506601 CCCCCOCC1CC(C(=O)O1)CC(=NNC(=S)N)C 1 1.911 3 3 0 -6.39892487774491 3506580 C1=CC(=CC(=C1)C(F)(F)F)C=NNC2=CC=C(C=C2)C(=O)O 1 4.02 2 2 3.31882750133069 3506534 CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=CC=CC=C32)C 1 3.16 3 1 -8.55080205638671 3506422 CCOC(=O)C1CCCN(C1)CC(=O)C2=CNC3=C2C=C(C=C3)C 1 3.166 2 3 -0.6261437649279 3506352 CC1CCCC(N1NC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C)C 1 3.489 2 3 4.85082150774749 3506349 CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC)C4=CC=CC=C4 1 3.02 4 4 0 -17.2819008197895 3506309 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)CC3=CC=CC=C3 1 5.725 1 2 0.259201913007427 3506308 CCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)CC3=CC=CC=C3 1 6.181 1 2 0.201951795471063 3506305 C=CCONC(=O)C1=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F 1 3.482 1 4 -10.288906597289 3506236 COC1=C(C=C(C=C1)CCC(=O)NCC2=CC(=CC=C2)OC)OC 1 3.063 1 4 -16.557386439258 3506214 C1=CC=C2C(=C1)C=CC=C2C(=O)NN=CC3=CC=CC=C3F 1 3.797 2 1 -1.34156271094083 3506212 CC(C(=O)NN1C=NN=C1)OC2=C(C=C(C=C2)Cl)Cl 1 1.881 4 2 0 -6.74783258347914 3506168 CC(C)CCC1(CCOC(C1)(C)C)CCNC(C)C2=CC=CS2 1 4.809 1 1 -1.94799570000037 3506003 CCCC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CS3)C4=CC=CC=C4 1 4.361 4 1 -7.80777236933017 3505884 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)N4CCCC4 1 1.836 5 4 0 -8.12195822707792 3505859 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-] 1 1.788 5 6 0 -24.0469981354472 3505797 CCN(C1CCCCC1)C(=O)C2=CC3=C(N2C)N=C4C(=CC=CN4C3=O)C 1 3.12 4 2 -15.1438346974737 3505702 C1CC1NC(=O)C2=CC=C(O2)CSCC3=CC(=CC=C3)F 1 3.338 1 2 -8.42698912381901 3505701 C1CC(OC1)CNC(=O)C2=CC=C(O2)CSCC3=CC(=CC=C3)F 1 3.207 1 3 -13.4644559375521 3505699 CC(C)CCNC(=O)C1=CC=C(O1)CSCC2=CC(=CC=C2)F 1 4.429 1 2 -12.8492350353534 3505677 C1COCCN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC45CC6CC(C4)CC(C6)C5 1 3.328 4 3 0 -23.0976090561944 3505589 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCCCN3C=CN=C3 1 0.133 4 4 0 -22.2389436129528 3505580 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-] 1 3.352 2 5 0 -2.63996197872232 3505573 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl 1 3.334 3 4 0 -15.6559999576054 3505567 C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)N 1 1.318 3 3 0 -11.2112848570953 3505554 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 0.852 3 8 0 -14.2676590270314 3505547 CC1=CC(=C(C(=C1)C)C(=O)NNC(=O)C2=CN=CC=C2)C 1 2.179 3 2 -7.27956197584945 3505473 CC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)F 1 2.296 3 1 -13.1930969726792 3505308 C1=CC=C(C=C1)C(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=CO4 1 2.888 3 3 -13.1632915733998 3505285 CN1CCCC1C(=O)NCC2=CC(=C(C=C2)OC)OC 1 1.527 2 3 0 -10.4959003868854 3505101 C1COC(=CO1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3 1 2.537 2 3 3.08687851663999 3504941 CC1=C(SC=C1)C2=CC(=NC(=N2)N3C=CC=C3)C 1 4.117 3 0 -1.07251183723252 3504937 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2C=CC=N3 1 2.99 2 2 -1.65728164916166 3504932 CC1=NNC(=NC1=O)SC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.466 5 4 0 -17.8921066435162 3504925 CC1=CC=C(C=C1)C2CC(=NN2C(=O)C)C3=CC=CO3 1 2.633 2 2 -2.58152010777468 3504887 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(N2C)N=C4C=CC=CN4C3=O 1 1.143 4 4 0 -17.6959178487011 3504826 C1COC(=CO1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N 1 -0.557 6 6 0 -19.2310385543394 3504805 C1=CC=NC(=C1)C2=NC=C(C(=N2)C3=CC=CS3)C4=NN=NN4C5=CC=C(C=C5)Cl 1 4.325 7 0 0 -0.250841677479758 3504664 C1CC(=O)N(N=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C4=CC=CC=C4 1 1.318 6 4 0 -18.5705221557484 3504640 COC1=CC=C(C=C1)N(C(C#N)C2=CC=CC=C2)C(=O)CCCl 1 3.37 2 2 -7.53285000234533 3504598 C1C(O1)C(=O)C2=C(C=NN2)C3=CC(=CC=C3)Br 1 2.262 2 2 0.721412658177932 3504592 CC(=O)C1=C(CC2C1C2(C)C)NC(=O)C3=CC=C(C=C3)F 1 2.22 1 2 -8.31803704878941 3504580 COC(=O)C1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3N2 1 2.724 4 2 -0.10820597508457 3504576 CCCC1CCC(=NNC(=O)CNC2=CC=C(C=C2)OC)CC1 1 3.216 3 2 -12.7958130957494 3504528 CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CCO)CC3=CC=CC=C3)NC1=S 1 3.472 3 3 -10.3538481046704 3504524 CCC1=CC=C(C=C1)C(C)NC(=O)C2=CC=CS2 1 3.894 1 1 -8.29487063093528 3504521 CC1=CC2=C(C=C1)OC(=O)C2C3=CC=CC=C3 1 3.447 0 2 -2.14389879034169 3504468 CC1=C(C=CC(=C1)N(C)C)[N+](=O)[O-] 1 2.372 2 2 -6.09787691186636 3504436 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 -0.459 4 6 0 -9.70395951430151 3504403 CC1=CC(=CC=C1)C(C)NC2=NC=C(C=C2)[N+](=O)[O-] 1 2.896 3 2 -3.2898858847545 3504340 CC1=CC(=C(C=C1)N2C(=CC(=C2C)C=NNC3=NC=C(C=C3)[N+](=O)[O-])C)C 1 4.234 5 2 0 -0.893453006930962 3504312 CC1=C(C2=CC=CC=C2N1CC(=O)NCC3CCCO3)C=C4C(=O)N(C(=S)N(C4=O)C)C 1 2.238 4 4 0 -16.5354530589558 3504259 C1COCCN1CCCNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.694 4 4 0 -14.9117469626939 3504240 CC1CC(CN(C1)CCCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3)C 1 2.143 3 2 -21.6785937983693 3504226 CCC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 2.405 3 2 -18.9811931391567 3504159 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C)OC 1 3.745 1 4 -12.3515775875061 3504101 COC1=CC=CC(=C1OC)CN2CCN(CC2)C3=NC=CC=N3 1 1.622 4 2 0 3.95825741629813 3504078 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=O)NCCCl 1 2.082 3 4 0 -13.1754801596998 3504072 C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=CC=N4 1 2.04 3 2 -6.80987808113099 3504042 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC=CC=C3F 1 2.541 2 5 0 -16.8776176846796 3504015 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)OCC 1 1.847 1 5 0 -1.79684092395582 3504009 COCCN(CCOC)CC1=C(N2C=CC=NC2=N1)Br 1 1.195 4 2 0 1.78362357768776 3503970 CC(CNC1=NC=CN=C1)O 1 -0.758 3 1 0 -1.16985886501046 3503968 COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-] 1 3.234 3 6 0 -17.0940343458035 3503929 CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2CCS(=O)(=O)C2)C 1 0.285 2 6 0 -22.7450424841207 3503928 CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 1.608 3 7 0 -17.5525991725547 3503927 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)C 1 0.679 2 7 0 -23.5265221853391 3503926 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCO4 1 2.61 2 7 0 -26.2808528614897 3503924 CCC1CCCC1=NNC(=O)C2=NNC(=C2)C 1 1.888 4 1 0 -9.21964123031329 3503867 CCC(=NNC(=O)CSCC1=CC=CC=C1Br)C2=CC3=C(C=C2)OCCO3 1 4.265 2 3 -12.4733927206344 3503852 CCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3Cl)N4CCOCC4 1 3.949 3 5 0 -9.19674330893998 3503736 CC(C)(C)C(=O)NCC(C1=CN=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.133 4 2 -17.4913490349112 3503525 CC(=NNC(=O)CNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)CC3=CC=CC=C3 1 3.278 3 2 -18.3291947906943 3503446 CC1CCCC(N1C(=O)COC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C 1 2.501 2 6 0 -16.7862138416362 3503413 COC(=O)NCC(C1=CN=CC=C1)N2CCN(CC2)C3=CC=CC=C3 1 2.246 4 2 -13.3726108377734 3503385 CC1=NN(C=C1Cl)C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O 1 0.555 8 4 0 -23.514378954764 3503149 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O 1 4.272 1 5 -9.0244168620902 3503097 CC1CC(NC(=S)N1CCC(=O)N2CCC3=CC=CC=C3C2)(C)C 1 3.206 3 1 -15.6139522067601 3503048 CC1=CC(=C(C(=C1NS(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)OC)O 1 4.134 1 6 0 -2.56671057212677 3503017 CC1=NC=C(C=C1)C(=O)NN=CC2=C(C=CC3=CC=CC=C32)OC 1 2.707 3 2 -4.40451942582223 3502985 C1=CC(=CN=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.67 2 4 -2.31838640042743 3502978 CCC(C)SC1=NN=C(N1C2CCCCC2)CNC(=O)C34CC5CC(C3)CC(C5)C4 1 5.467 4 1 -18.0485708945175 3502912 C1CCN(CC1)CC#CCC2(C3=CC=CC=C3C4=CC=CC=C42)O 1 4.349 1 1 -0.428575610870793 3502851 CC(=O)NC1=CC=CC=C1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3OC(=O)C 1 3.865 1 4 -9.60133714126958 3502829 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)COC4=CC5=CC=CC=C5C=C4 1 4.845 1 4 -8.58905394011619 3502734 CC(=NNC(=S)NC1CCCCC1)C2=CC=CS2 1 4.023 3 0 -11.1390131961147 3502730 CC1CCC(CC1)N2CC(=O)N(C(C2=O)C3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5 1 3.917 2 4 -9.48853687871732 3502664 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CCC(=O)C3=CC=CS3 1 1.035 2 7 0 -30.7611983018421 3502663 C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CC4=CC=CC=C4 1 2.922 1 3 -11.3276272708547 3502656 C1C(C2C=CC(=O)C1N2CC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5 1 3.597 1 3 -2.45097381807706 3502624 CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CS4 1 3.628 2 4 -17.9702564727952 3502533 C1=CSC(=C1)C2=CC(=NC(=N2)N3C=C(C=N3)Br)C(F)(F)F 1 4.818 4 0 4.93888494075806 3502524 CC1CN(CC(O1)C)S(=O)(=O)C2=C(C(=C(S2)C(=O)OC)C)C(=O)OC 1 1.664 1 7 0 -17.4838825232478 3502512 C1COCCN1C2=NC(=C3C(=C2C#N)C4=C(N=C3N)OC(C4)CCl)N 1 0.961 6 2 0 -6.99319145913294 3502438 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC#N 1 2.675 1 3 -7.54209137048098 3502382 CC1=CC=C(C=C1)NC(C#N)C2=CC=CC=C2OCC3=CC=CC=C3 1 5.141 2 1 -3.43492172752184 3502296 CC1=NN=C(S1)SCC2=C(N=NN2C3=NON=C3N)C(=O)OC 1 0.947 8 3 0 -31.1948847391688 3502230 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC4=C(C=CC=C4S3)C 1 3.26 3 3 -12.1179545635107 3502229 C1C=CCC2C1C(=O)N(C2=O)CC(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F 1 2.417 4 3 0 -17.2957888617532 3502196 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=CC=C2OC)C3=CC=C(C=C3)C(C)(C)C 1 3.103 3 4 0 -10.6062337470758 3502152 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC3=CC=CC=C32 1 2.963 1 3 -8.61789226472023 3502136 COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)C3=CC=CS3 1 2.675 4 2 -14.4419711428689 3502015 CC1CC(CN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CCCCC3)C 1 2.524 3 3 -21.1861275267913 3501972 CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC=C(C=C3)OC)C(=O)CCC2 1 1.231 4 2 0 -19.2572680963188 3501970 CCCCN(CC)C(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCC(CC3)C 1 2.117 4 4 0 -31.726762104059 3501669 COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=N4)Cl)Cl 1 5.548 4 2 -4.72159152825156 3501515 C1C(C(CS1(=O)=O)O)N(CCO)C(=S)NC2=CC=CC=C2 1 1.443 2 4 0 -9.70306694970176 3501466 CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43)C#N)C 1 4.03 3 5 0 -33.4199461184658 3501416 C1CCN(C1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2 1 3.435 2 1 -13.7923985819975 3501377 CC1CCCC(C1C)NC(=O)C(C(C)C)NC(=O)C2CCCCC2 1 4.316 2 2 -16.9182186747371 3501359 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)C(=O)NCC5=CC=C(C=C5)OC 1 1.626 5 4 0 -28.8181691750176 3501333 CC1=CC=C(O1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC(=CC=C4)OC 1 2.341 8 4 0 -22.5760090679621 3501255 CCCC1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC4=NC5=C(COC(C5)(C)C)C=C24 1 4.546 3 2 -15.4099471386051 3501178 C1=CC(=C2C=C(OC2=C1)N)[N+](=O)[O-] 1 1.405 2 3 0 0.95214561572136 3501169 CCOC1=C(C=C(C=C1)C(=O)C)COC2=C(N=C(C=C2)C)[N+](=O)[O-] 1 3.034 2 5 0 -7.92449532275932 3501060 CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4 1 2.869 3 4 0 -20.2250188359741 3501054 C1CN(CCC1C(=O)N)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CC=C4 1 1.195 3 5 0 -2.51374413407107 3501000 CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)NC1=S 1 2.581 3 3 -16.7208504560887 3500834 CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC(=C(C=C2)OC)COC3=C(C=C(C=C3)F)F 1 5.209 4 3 0 -6.0736553211911 3500662 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)F 1 2.433 2 3 -17.8733583274548 3500652 CC1=C(C=CC=C1Cl)NC(=O)COC2=C(C=C(C=C2)C=NNC(=O)C(=O)NCCCOC)OC 1 2.058 4 6 0 -20.817538262598 3500511 CC1CC(CN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(O4)C)C 1 4.473 2 2 -8.3242924115267 3500492 CC(C(C1=CC=CC=C1)N2CCOCC2)NC(=O)CC3=CC=CC=C3 1 2.889 2 2 -9.99095041314685 3500470 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3C4C(C(=O)N(C4=O)C5=CC(=CC=C5)F)N=N3)C6=CC=CC=C6 1 3.666 6 4 0 -6.94504688764606 3500447 CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.326 1 4 3.37134335950342 3500446 CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCCOC 1 2.074 2 3 -9.67446731716654 3500439 CC1(CCCC2=C1CC3C(C2)C(=O)N(C3=O)N)C 1 1.628 2 2 0 -0.155115596979298 3500370 CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 2.599 3 6 0 -26.5373749509664 3500347 C1CCC(CC1)N2C(C(CCC2=O)C(=O)O)C3=CC=CC=C3 1 3.081 1 3 -6.21482775963765 3500346 COC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N4C2=CC=C4 1 4.223 2 2 2.99318296924011 3500304 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 4.723 3 3 -2.22969892509316 3500246 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N(C2CS(=O)(=O)C=C2)C3=CC=C(C=C3)C 1 2.501 2 5 0 -12.4637279076351 3500151 CC(=NNC(=O)CNC(=O)C1COC2=CC=CC=C2O1)C3=CC=C(C=C3)Cl 1 2.16 3 4 0 -8.53893673512676 3500145 CSCCC(C(=O)OCC(=O)N)NC(=O)C1=C(C=C(C=C1)Cl)Cl 1 1.739 2 4 0 -16.1925553324794 3500125 CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3 1 3.415 3 4 0 -5.56662337557825 3500086 CCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)Cl 1 3.677 5 3 0 1.9406379328223 3499926 CCCCCOCC(CCC1=NNC(=S)N1CC=C)O 1 2.634 3 2 -12.5543864222713 3499908 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(=O)C3=CC=CC=N3)C4(CCCCC4)C(=O)NC5CCCC5 1 3.581 5 3 0 -22.4439184841307 3499869 CCON1C(=O)C2=CC=CC=C2N=C1N3C(=CC(=N3)C)C 1 2.544 4 2 -8.10389053983557 3499866 CCC1=CC=C(C=C1)OP(=O)(C)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.469 3 4 0 1.99170195909973 3499756 CC1CCC2=C(C1)SC3=C2C(=NC(=N3)CN4CCOCC4)SC5=CC=CC=C5 1 5.054 3 1 -8.8754554929359 3499712 C1=CC=C(C=C1)COC2=CC3=CON=C3C=C2 1 3.188 1 2 0.600202763090468 3499691 COC1=C(C=C2CN(CCC2=C1)C3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)OC 1 4.454 2 4 -4.20307994625777 3499686 C1CCCC(CC1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.736 2 6 0 -17.3269719050555 3499638 CN1C2=CC=CC=C2N=C1SCC(=O)N3CCCC3 1 2.361 3 1 -9.95340487424087 3499635 C1=CC=C2C(=C1)C=NN=C2NN=CC3=CC(=CC=C3)F 1 2.846 4 0 5.47455047279763 3499575 COC1=C(C=C(C=C1)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)OC 1 2.729 2 4 -10.6537127468642 3499566 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC(=C(C=C4)OC)OC)C#N 1 2.243 5 3 0 -21.1463853245013 3499461 CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CSC3=C2CCC(C3)C(C)(C)C)C(=O)O)C 1 4.177 2 4 -12.4184810846495 3499416 C1C(N(CC2=CC=CC=C21)C(=O)COC3=C(C=C(C=C3)Cl)Cl)C(=O)O 1 3.683 1 4 -5.35564487153484 3499402 CC1=CC=CC=C1N2C(=CC(=C2C)C=NNC3=NC=C(C=C3)[N+](=O)[O-])C 1 3.747 5 2 0 -2.47992972282495 3499391 CC1CC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4S3 1 4.291 2 1 -10.5466878922118 3499339 CC1=C(C=CC(=C1)Cl)NC(=O)C2CCCN2C(=O)C3=CC=CS3 1 3.58 2 2 -12.0566985355556 3499328 CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)SC3=NNC(=N3)N 1 0.373 6 4 0 -21.937742848485 3499283 CC1=CC=CC=C1C2C(=C3N=C(C4=C(N3C5=C2C(=O)CC(C5)(C)C)SC6=C4CCCCC6)N)C#N 1 6.088 4 1 -25.2004896026674 3499281 CC1=CC2=C(N1)C=CC(=C2)CNS(=O)(=O)N(C)C 1 0.777 3 2 0 -2.59151873920423 3499232 CC1=C(C2(C(=O)C3=CC=CC=C3C2(N1)O)O)C(=O)C 1 -5.1e-002 1 4 0 -9.36337284017197 3499210 CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4 1 4.063 2 5 0 -14.2654860378224 3499171 CC1C(C2=CC(=C(C=C2N1C)NC(=O)C3=CC=CO3)P(=O)(NC4=CC=C(C=C4)[N+](=O)[O-])N5CCOCC5)(C)C 1 2.902 5 6 0 -8.52451658756492 3499113 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=NOC(=C3)C)C4=CC=C(C=C4)C 1 3.167 4 3 0 -27.3073867324232 3499042 C1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.955 3 7 0 -22.352617839244 3498913 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)CNC(=O)C3=CC=CC=C3 1 0.672 3 7 0 -31.3344697343028 3498874 C1=CC(=C(C(=C1)Cl)Cl)C2C=C(NC(=O)N2)C(=O)O 1 1.924 2 3 0 -8.71346133931219 3498796 CC(C)COC(=O)C1=CC=CC=C1OC(=O)C2=CC=NC=C2 1 3.158 1 4 -9.54179058178187 3498770 CN(C)C1=CC=C(C=C1)P(=O)(C(C2=CC=NC=C2)O)OC3CCCCC3 1 3.339 2 3 -5.5629378414414 3498695 CCOC(=O)C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)C 1 2.302 2 5 0 -6.00246610272294 3498692 CN1C(=O)C(N(C1=S)CC2=CC=CS2)CC(=O)NC3=CC=C(C=C3)F 1 3.224 3 2 -13.2428180948889 3498639 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NNC(=N2)C3=CC=CS3 1 1.304 4 3 0 -18.9199700958964 3498566 C1CN(CCN1CCC(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.012 3 3 4.70190657166678 3498474 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3 1 4.77 2 4 -1.46043602926171 3498370 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(C)SC3=CC=CC=[N+]3[O-] 1 4.487 2 2 -3.73271577886605 3498238 CNC(=O)COC(=O)C1=C2CCCC2=NC3=CC=CC=C31 1 1.995 2 3 0 -9.35854855463544 3498190 C1CN(CCC1O)CC(C(F)(F)F)O 1 0.249 1 2 0 -0.777440016240465 3498145 C1OC2=C(O1)C=C(C=C2)C=NNC3=CC=CC=C3[N+](=O)[O-] 1 3.111 3 4 0 -3.41514657243677 3498135 C1CCC(CC1)NC(=O)CCC(=O)NCC2=CC=C(C=C2)F 1 2.444 2 2 -15.3637895926371 3497976 CN1CCC2=C(C1)C(=C(C(=N2)SC(C3=CC=CC=C3)C(=O)O)C#N)C4=CC=CS4 1 1.567 3 2 0 -12.1453311777321 3497946 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 0.438 3 5 0 -22.0921332978765 3497835 CC(=NNC(=O)CC1C(=O)NNC(=N1)CC2=CC=CC=C2)C3=CC=NC=C3 1 0.107 6 2 0 -12.6014413236838 3497776 C1OC2=C(O1)C=C(C=C2)CNC3=CC=C(C=C3)[N+](=O)[O-] 1 2.884 2 4 -4.53565670937276 3497769 CC1=CC=C(O1)C2=C(N3C=CC=NC3=N2)NC4CCCCC4 1 3.879 4 1 -1.00518467685236 3497763 CC(C)NC(=O)C(=C1N(C(=O)C(=CC2=CC=CC=C2OC(F)F)S1)CCCOC)C#N 1 2.896 3 4 0 -13.41322321854 3497737 CCN(CC)C(=O)C1=CC2=C(C=C1)NC(C3C2C(C(C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C(=O)O 1 4.246 3 5 0 -13.8725755579631 3497570 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=NNC(=O)CC3 1 1.799 3 4 0 -22.6478622000722 3497564 CCN1C(=O)C(N(C1=S)CCN2CCOCC2)CC(=O)NC3=CC=C(C=C3)OCC 1 2.202 4 4 0 -18.2708832364051 3497557 CC1=CC(=CC=C1)N2C(=NN=C2SC)CNC(=O)C3=CC=CC=C3 1 3.531 4 1 -10.1729077852735 3497540 CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N)C4=CN=CC=C4 1 3.276 7 3 0 -17.55305905258 3497457 CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)COC5=CC=C(C=C5)Cl 1 4.61 3 2 0.465795429477245 3497445 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3OC 1 3.785 1 4 -11.3709459214921 3497325 CC1=CC=CC=C1CN2CCN(C2=O)CC(=O)NCC3=CC=CC=N3 1 1.377 4 2 0 -17.6909539149332 3496955 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=C(C=C3)C#N 1 1.366 4 4 0 -24.0748588931979 3496912 CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)NC3CCCC3 1 4.678 4 3 0 -7.43557389105715 3496830 CC1(C(=O)C2(CCCCC2)C(OC1=O)C3=CC=CN3C4=CC=C(C=C4)[N+](=O)[O-])C 1 5.189 2 5 0 -6.94804277611038 3496742 C1C2=CC=CC=C2C(=O)N1C(CC(=O)O)C3=CC=C(C=C3)Br 1 3.087 1 3 -9.38025101430287 3496741 CC1=CC=C(C=C1)CS(=O)C2=NC3=C(CCCC3)C(=N2)NCC=C 1 4.084 3 1 -1.25789552062026 3496658 C1CCN(C1)CCCNC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl 1 4.115 3 3 -5.73368819306437 3496648 C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl 1 3.342 3 4 0 -8.48676291814453 3496639 CCN(CC)CCNC(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCOCC3 1 3.79 5 1 -9.6428571055092 3496625 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=NOC(=C5)C)O 1 4.208 2 6 0 -18.3021711044542 3496607 CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=NN3 1 3.524 5 1 -29.7128565854981 3496411 CSCCC(C(=O)O)NS(=O)(=O)C1=C(C=CC=C1Cl)Cl 1 2.363 1 4 -17.1340277491846 3496405 CCC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC(=CS1)C 1 1.411 3 3 0 -10.2611531414776 3496358 CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C 1 2.962 4 4 0 -30.8321144871746 3496355 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)C(NC(C4)(C)C)(C)C)C(=O)N 1 1.798 5 6 0 -34.2917022844511 3496289 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCCOC)OCC 1 3.53 3 5 0 -16.7847120414455 3496205 CCN(CC)C(=O)CSC1=NC(=O)C2=C(N1)N(C(=S)S2)C3=C(C=C(C=C3)C)C 1 5.145 4 2 -19.7845385448505 3496159 CC(C(=O)NCCC1=CCCCC1)OC(=O)CC2=C(C=CC=C2Cl)F 1 4.461 1 3 -14.8162693797227 3496119 C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=C(C(=CC=C2)Cl)Cl 1 4.892 1 1 -3.000489767278 3496023 CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC4=C(C=C3)OCO4 1 3.727 3 4 0 -8.93874490501752 3495965 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C)OCC 1 3.761 4 4 0 -8.28905757666089 3495929 C1=CC=C(C=C1)C2=C(N3C(=O)C(=CC4=CC=C(C=C4)O)SC3=N2)C5=CC=CC=C5 1 5.888 2 2 -0.692510939437635 3495924 CC(CO)NC1=C2C3=C(CCC3)SC2=NC(=N1)SCC4=CC=CC=C4 1 4.871 3 1 -11.2668337931117 3495783 CCN(CC)C(=NS(=O)(=O)C1=CC=C(C=C1)F)C2=CC=CC=C2 1 3.559 2 2 -7.81344257148908 3495780 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br 1 3.453 2 3 -8.38447673995377 3495654 C1CCC(C(C1)C(=O)NCC2=CC=NC=C2)C(=O)O 1 1.117 2 3 0 -8.1662446709526 3495594 C1=CC=C(C(=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])F 1 2.85 1 5 0.290845146249157 3495560 CC1=CC=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)N3CCOCC3 1 2.085 3 2 -24.6713913630139 3495486 CC(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Cl)SC3=NCCS3 1 4.043 4 1 -10.5705973307716 3495482 C1CN(C(C2=CC=CN21)C3=CN=CC=C3)C(=S)NCC4=CC=CC=C4 1 4.125 4 0 -15.7422501519187 3495345 CC1C(N(C2=C(N1)NC(=NC2=O)NC(=O)C(C)C)C(=O)C3=CN=CC=C3)C 1 0.492 6 3 0 -20.0653911031749 3495343 CC1=CC(=C(C(=C1C)S(=O)(=O)NC(C(C)C)C(=O)O)C)C 1 3.494 1 4 -15.6344509528349 3495318 CCC(C)NC(=O)C1=CC=C(O1)CSCC2=CC(=CC=C2)F 1 4.099 1 2 -12.9278167302984 3495270 CC1=CC=C(S1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C 1 2.025 2 4 -13.2301621650796 3495172 CC1=C(SC=C1)C=NNC(=O)CNC(=O)C2=CC=CC=C2 1 2.182 3 2 -12.7164402499731 3495168 COC1=CC(=CC=C1)OCC2=CC=C(C=C2)C(=O)NCC3CCCO3 1 2.947 1 4 -12.4932485090985 3495167 COC1=CC=CC(=C1)COC2=CC=CC=C2C3NC4=C(C=C(C=C4)Br)C(=O)N3NC(=O)C5=CC=NC=C5 1 4.636 4 4 0 -9.95236317196786 3494964 COC1=C(C=C(C=C1)Cl)C(=O)NCCCN2C=CN=C2 1 1.49 3 2 0 -4.90017748747899 3494878 CC(C)CCOC(=O)C1C2C=CC3(C1C(=O)N(C3)CC4=CC=CS4)O2 1 2.083 1 4 -5.04242605102118 3494860 COC1=CC=CC=C1C2=CC(=NO2)C(=O)NCCC3=CC=CC=C3 1 3.618 2 3 -8.41390844014417 3494857 COC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC(=CC=C3)OC 1 3.274 2 4 -1.1542421898441 3494853 CN(C1=NS(=O)(=O)C2=CC=CC=C21)N=CC3=CC=C(C=C3)OC 1 2.454 3 3 -3.49980573047997 3494811 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C=NNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 5.345 4 2 6.7441890804328 3494806 CCN1C(=C(C(NC1=S)C2=CC=CC=C2OC(F)F)C(=O)OCC)C 1 4.392 2 3 -16.4216064584792 3494721 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC 1 3.265 1 8 0 -21.0052546391741 3494722 COC1=CC(=CC(=C1)NC(=O)COC(=O)CNC(=O)C2CCCCC2)OC 1 1.81 2 6 0 -14.9065060463472 3494575 CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2C3CCC(C2C(=O)O)O3)C(=O)OCC 1 1.232 1 8 0 -9.88291157551197 3494561 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CO3 1 2.027 2 5 0 -18.7189565283612 3494298 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC(=CC=C3)OC 1 1.804 3 4 0 -6.93088591800935 3494151 COC1=CC=C(C=C1)N2C(=NNC2=S)CNC(=O)COC3=CC=CC=C3 1 2.557 4 3 0 -13.5456819541702 3494146 CCOC(=O)C1=CC=C(C=C1)OC2=NC(=CC(=N2)OC)OC 1 3.382 2 5 0 -9.23467668549391 3494131 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=CS5 1 3.542 2 5 0 -15.3339270927585 3494128 C1=CC=C(C=C1)COC2=C(C=C(C(=C2)N3C=CNC3=S)Cl)Cl 1 4.982 2 1 -2.87895674588688 3494087 CC1=C(SC2=C1C(=NC=N2)SCC(=O)N(C)C3CCS(=O)(=O)C3)C 1 1.598 3 3 0 -22.5128427039408 3494085 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C 1 3.068 2 9 0 -18.988323664207 3493986 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4C=CC(=NC(=O)C5=CC=CC=C5C)C=C4 1 4.495 5 4 0 -9.95031699185648 3493979 CN1C2=CC=CC=C2SC1=NNC(=O)C3CCCCC3 1 3.66 3 1 -4.48526753221468 3493976 CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2OC)C(=O)C3=CC=CC=C3 1 4.488 1 3 -8.94234903176724 3493951 CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)CSC3=NC(=CN3N)C4=CC=CC=C4 1 4.717 4 1 -7.21735541941742 3493943 C1CC(OC1)CNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 1.598 2 6 0 -22.6558167270667 3493833 C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)NN 1 2.494 4 0 9.93073928475051 3493671 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)N3CC(=O)C(=C3N)C4=CC=CC=C4 1 3.139 3 4 0 -7.03086146988497 3493662 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C)C3=C(C=CC(=C3)Cl)O 1 2.837 3 2 -6.64185760091394 3493617 CCOC(=O)NC(=O)C(=CNC1=CC=CC=C1OC)C(=O)NC(=O)OCC 1 1.551 3 7 0 -7.22109576394354 3493607 CC1=CCC(CC1=NNC(=O)CCC(=O)NC2=CC(=C(C=C2)C)C)C(=C)C 1 3.903 3 2 -9.91412843153751 3493606 CC1=C(C=CO1)C(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.015 3 5 0 -8.85321566254758 3493586 COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)NC2=O)OC 1 3.685 4 5 0 -9.72805448902497 3493584 COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=CC=C4)NC2=O)OC 1 3.755 3 5 0 -16.3830218756874 3493568 CC(=NNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CC=C(C=C3)OC(F)F 1 2.765 3 5 0 -23.2558218361795 3493567 CNC1=C(C(=C(S1)C(=O)C2=CC=CC=C2F)N)C3=NC4=CC=CC=C4S3 1 4.588 3 1 -2.89070870326697 3493470 CC1CC2=CC=CC=C2N1C(=O)COC(=O)CNC(=O)C3=CC=C(O3)Br 1 2.002 2 5 0 -17.7188418159842 3493368 CC1=CC=C(C=C1)C(=O)NC(C(=O)OC)(C(F)(F)F)NC2=CC=CC(=N2)C 1 3.758 3 3 -9.68940090756232 3493346 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=C2CC(=O)CC(C2)(C)C 1 3.38 2 3 -8.66914756701694 3493315 COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)N3CCCC4=CC=CC=C43 1 3.94 3 2 -9.25700938013064 3493227 CC1=CC(=CC=C1)NC(=O)CSC2=NC3=NC4=C(CCCC4)C=C3C(=O)N2C5=CC=CC=C5 1 5.844 4 2 -20.5412030391706 3493224 CNP(=O)(OC1=CC=CC=C1)OC23CC4CC(C2)CC(C4)C3 1 3.093 1 3 -1.35350493692615 3493149 CCC1=CC=CC=C1NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC 1 5.348 3 1 -4.81190940735402 3493148 CC1=CC(=C(C=C1)NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC)C 1 5.378 3 1 -5.45394883080923 3493143 CC1=CC(=C(C=C1)C)NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC 1 5.378 3 1 -4.47024941752525 3493139 C1CCC(CC1)OP(=O)(C(C2=CC=CC=C2)O)OC3CCCCC3 1 4.455 0 4 -3.82640001926717 3493117 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CN3 1 2.816 2 5 0 -21.0417949096175 3492878 CC(C)OC(=O)C1=CC=CC(=N1)C(=O)OC2=CC=CC=C2 1 3.55 1 4 -12.6165377096157 3492865 COC1=CC=CC=C1OCCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.193 2 8 0 -28.9296730022942 3492808 C1CCC(CC1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)N4CCN(CC4)C=O 1 1.757 4 6 0 -13.8210933962491 3492788 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl 1 4.061 2 5 0 -9.34520857490246 3492785 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NCCC2=CC=CC=N2 1 2.525 4 2 -17.7784202087621 3492734 CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(C3=CC=CC=C3)NCC(=O)NN 1 2.563 4 5 0 -13.7370869527396 3492613 COC1=CC=C(C=C1)N2C=C(NC2=S)C3=CC=C(C=C3)Br 1 4.567 2 1 -1.21263150775623 3492611 CCN(CC)C(=O)CCS(=O)(=O)C1=CC=CC2=NON=C21 1 1.137 3 4 0 -16.4747805202383 3492502 CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)Cl 1 5.429 3 0 -6.68779664836587 3492355 CS(=O)(=O)N(CC1=CC=CC=C1Cl)C2=CC=C(C=C2)C(=O)N3CCCC3 1 3.069 2 3 -10.8245026017444 3492321 CC(=NOCC(=O)NN=CC1=C(C(=CC=C1)OC)OC)C2=CC=CS2 1 2.301 3 4 0 -8.47046756879961 3492261 CC(C)C1CC(C(=O)O1)C(=O)NC2=CC=CC=C2 1 2.258 1 3 -3.06377678912539 3492260 CC1CC(C(=O)O1)C(=O)NC2=CC=CC=C2 1 1.414 1 3 0 -4.00164385679448 3492259 CC1CC(C(=O)O1)C(=O)NC2=CC=CC=C2OC 1 1.398 1 4 0 -6.73877962254114 3492258 CCC(CC(C(=O)NNC1=CC=CC=C1)C(=O)NNC2=CC=CC=C2)O 1 2.554 4 3 0 -5.21326919511453 3492257 CC1CCC2=C(O1)C3=CC=CC=C3NC2=O 1 1.809 1 2 0 -7.68693996485766 3492256 CCC1CC(C(=O)O1)C(=O)NC2=CC=CC=C2 1 1.938 1 3 0 -3.31315899478649 3492189 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 2.753 2 5 0 -22.5091070583139 3492167 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)COC3=C(C=CC=C3OC)C=O 1 1.745 6 6 0 -23.6777253832225 3492160 C1=CC=C(C=C1)C2=C(SN=N2)SCC3=C(C=C(C=C3)Cl)Cl 1 5.9 2 0 -1.05716408052924 3492159 C1=CC=C2C(=C1)N=CC(=N2)OC3=CC(=CC=C3)Cl 1 4.057 2 1 5.70970954183873 3492149 CC1CCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-] 1 2.813 4 2 -4.99499204747626 3492038 CCC(CO)NC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-] 1 2.563 4 4 0 -12.5217473846659 3491980 COC(=O)C1CSC2=C(C1C3=CC=CC=C3)SC(=O)N2 1 2.542 1 3 -7.17579405473462 3491964 CCOCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)C 1 4.648 2 2 -10.9936229459379 3491956 CCC(C)NC1=NC(=CS1)C2=CNC3=CC=CC=C32 1 3.653 3 0 -1.27213417772852 3491892 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(CC(=NO)C3=CC=C(C=C3)Br)C(=O)O 1 5.337 1 4 -4.3222925085427 3491790 CC1CC1C(=O)NC2=NC3=C(S2)C=C(C=C3)C 1 3.071 2 1 -0.380261384132399 3491780 CC1CCCC(N1C(=O)COC(=O)CC2=C(N=C(S2)N)C3=CC=C(C=C3)C)C 1 3.633 3 3 -2.85187991923557 3491776 CC(C(=O)OCC(=O)NC1CCCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 0.514 3 6 0 -22.096282870508 3491760 CC1CCCN(C1)CCCNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.686 4 5 0 -30.5761476345246 3491650 CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C=CC(=O)O4 1 4.299 1 6 0 -17.1633918088122 3491594 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=N2)O 1 2.982 3 1 -2.31017995352814 3491528 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NCCCN4CC(CC(C4)C)C 1 2.486 4 4 0 -34.1040065315261 3491527 C1CC(OC1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC#N 1 1.955 4 3 0 -32.9783169608271 3491426 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)CSC 1 1.684 4 4 0 -22.1369053672323 3491394 C1CN(CC1C2=CC=CC=C2)C(=S)NC3=CC=CC=C3F 1 5.066 2 0 -5.87781430334116 3491393 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCN3CCC(CC3)C)OCC 1 4.114 3 3 -10.7583358575175 3491391 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CCC3CCCC3 1 2.289 2 4 -13.8590572991968 3491374 CC1=CC=CC=C1NC(=O)CCN2C3=CC=CC=C3OC2=O 1 2.916 2 3 -8.94260512812958 3491267 COC1=CC=C(C=C1)CC(=O)NNC(=O)C2=CC=NC=C2 1 0.739 3 3 0 -8.87159415177103 3491242 CCN1CCN(CC1)CC2=NC3=C(N2CCOCC)C(=O)N(C(=O)N3C)C 1 0.691 6 3 0 -16.674750982561 3491204 CCC(C)NC(=O)CSC1=NC(=O)C2=C(N1)N(C(=S)S2)C3=CC=C(C=C3)OCC 1 4.852 4 3 0 -24.0358572130612 3491202 CCN(CC)C(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CO3)SC(=S)N2C4=CC=CC=C4 1 5.144 4 3 0 -21.7887145426147 3491138 C1CCC(C1)CC(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 2.467 2 5 0 -11.9180167142129 3491105 C1CCN(CC1)C(C2=CC=CC=N2)C3=CC(=C4C=CC=NC4=C3O)Cl 1 4.212 3 1 1.50430076055348 3490958 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl 1 4.045 2 4 -9.90781469053448 3490956 CC1=C(C=C(C=C1)S(=O)(=O)NN=C2CCCCC2C3CCCCC3)[N+](=O)[O-] 1 4.659 3 4 0 -7.81622762434667 3490954 CC1(CC1(Cl)Cl)C(=O)OCC(=O)NC2=CC=CC=C2 1 2.069 1 3 -4.77475601457283 3490946 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4 1 1.851 4 3 0 -23.4715286514666 3490803 C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2N 1 3.52 3 0 -6.17508846990666 3490786 CC1=NC(=C(C=C1)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-] 1 3.302 3 4 0 -5.72616064221782 3490708 CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)O 1 4.359 2 4 -8.36668446597188 3490694 C1=CC=C(C=C1)C2=CC(=CC(=N2)C3=CC=CC=C3)C(=O)O 1 4.202 1 2 0.775616773967954 3490678 C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-] 1 2.46 1 5 2.09955810421672 3490635 CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3 1 2.804 4 3 0 -22.8548734945415 3490512 COC1=CC=C(C=C1)NC(=S)NCCCC2=CC=CC=C2 1 4.856 2 1 -9.88788266365221 3490503 CC1(C(N(C(=O)N1CC(=O)NCC(=O)OC)C2=CC(=CC=C2)Cl)N(C(=O)NC3=CC(=CC=C3)Cl)O)C 1 2.832 5 6 0 -15.3327112924261 3490356 CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)F)CC#C 1 3.811 2 2 -7.66389928697048 3490272 C1COCCN1CCN2C=NC3=C(C2=N)C(C4=C(O3)C=CC5=CC=CC=C54)C6=CC=CC=C6 1 3.799 4 2 -7.30499857287702 3490268 CC(=O)C1=CN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl 1 4.182 1 2 -0.556164255136957 3490267 C1CN(C2(N1C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CC=C5 1 4.304 2 2 -4.55105991888682 3490264 C1CCC(CC1)(C2=NC3=CC=CC=C3N2)O 1 2.862 2 1 2.48161607528633 3490247 C1=COC(=C1)C(=O)NNC2=CC=C(C=C2)[N+](=O)[O-] 1 1.926 3 4 0 -3.59983002635754 3490204 CC1=NN(C(=C1C=NNC(=O)C(=O)N)Cl)C2=CC=CC=C2 1 1.135 5 2 0 -2.86158337767014 3490047 CC(=O)NC(C(Cl)(Cl)Cl)SC(=S)N(C)C 1 3.194 2 1 -7.48857652641256 3490010 COC1=CC=C(C=C1)N2CCN(CC2)CCC(=O)C3=CC4=CC=CC=C4C=C3 1 4.345 2 2 7.24878200247493 3489948 CC1=C(C(=CC=C1)C)NC(=S)N(CC2=CN=CC=C2)CC3=CC=CC=C3Cl 1 6.701 3 0 -9.01417385470029 3489934 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])S(=O)(=O)N3CCOCC3 1 1.486 3 8 0 -18.3638992055064 3489887 CC1=NC(=NC(=C1)C2=CC=CC=C2)NN=CC3=CC(=C(C=C3)OC)OC 1 3.75 4 2 -4.78276795917616 3489763 CC(=O)NCC(=O)OC(C1=CC=C(C=C1)Cl)C(=O)C2=CC=CC=C2 1 2.72 1 4 -10.83666417391 3489657 CC1=CC=C(C=C1)C2CN(C3(C24COC5=CC=CC=C5C4=O)C6=CC=CC=C6NC3=O)C 1 3.868 2 3 -2.84928712986688 3489652 CN1C=CC=C1C(=O)C(=O)NC2=CC(=C(C=C2)F)F 1 2.502 2 2 -3.70336715980318 3489596 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SC(C)C(=O)NC(=O)N 1 2.024 6 4 0 -23.1074199317726 3489396 CCOC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 2.829 3 2 -6.67364794189182 3489372 COC1=CC(=C(C=C1)OC)C2CCCN2 1 1.824 1 2 0 -4.2134608605763 3489342 CCOC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4)SC2=S 1 5.806 3 4 0 -16.9957807304514 3489245 CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.706 3 4 0 -14.3060558098676 3489216 CN(C)C1=CC=C(C=C1)C=NNC(=O)CCC2=CNC3=CC=CC=C32 1 3.63 4 1 -13.2236522994154 3489205 CC1=NC(=CN1CC(=O)NCCCO)[N+](=O)[O-] 1 -0.8 4 4 0 -14.7146947819525 3489133 CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)(C(=O)N)N4CCCCC4)NC1=S 1 1.787 5 4 0 -14.2069744811232 3489096 CC1=CC=CC(=C1)C2=NC(=NN2)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)OC 1 3.743 4 3 0 6.90850462767923 3489077 CC(C1=CC=CC=C1)C(CC(=O)O)C(=O)NC2=CC=C(C=C2)OC 1 2.981 1 4 -11.5819365168456 3489066 CCOCCCNC(=O)C(C1=CC=C(C=C1)OC)NC(=O)CNC(=O)C2=CC=CC=C2 1 1.14 3 5 0 -23.238860516874 3489049 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)NN=CC3=CC=CC=C3Cl 1 1.985 4 4 0 -24.5707319507647 3489048 C1=CC(=C(C(=C1)Cl)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)F)F 1 4.089 3 1 -7.93430136538475 3489042 C=CCN1C=C(C=C(C1=O)C#N)C2=CC(=CC=C2)C(F)(F)F 1 2.758 2 1 -2.54189256527764 3488944 C1=CC(=CC(=C1)Cl)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 1.68 4 3 0 -10.1346652185531 3488824 COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC4=C2C5=C(C=C4)N=CC=C5)O 1 3.562 2 3 -18.8366949783598 3488689 C1CC(OC1)CNC(=O)CSC2=C(N=C(O2)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)F 1 3.537 2 5 0 -21.9572319735267 3488647 COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)NC=O)OC 1 3.173 1 5 -5.35970014823347 3488625 C1=CC=C2C(=C1)NC(=N2)CC(=NNCCC#N)C3=CC=C(C=C3)Cl 1 3.603 5 0 -2.22168150093028 3488618 COC(=O)C(CCSC)NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)Br 1 1.067 2 5 0 -22.3320593860653 3488603 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=CC=C(C=C2)OC(F)(F)F 1 4.337 2 4 -9.92551418125164 3488555 CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=C(C=C2)C(=O)O 1 1.291 2 6 0 -2.00193264017248 3488512 CC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CCC=C 1 4.459 1 1 -2.42136220327488 3488474 CC(C)(C1=CC(=CC=C1)C(C)(C)NC(=O)NCC2=CC=C(C=C2)OC)NC(=O)NCC3=CC=C(C=C3)OC 1 4.375 4 4 0 -7.13091567699684 3488472 CC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.415 2 7 0 -16.4934010353648 3488438 COC1=C(C(=CC(=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NCC3=CC=CO3)OC 1 0.282 2 9 0 -32.3431977639581 3509197 COC1=CC=C(C=C1)C=NNC2=CC=CC=C2C(=O)O 1 3.062 2 3 -1.1133049329043 3509184 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=CC=N2 1 0.851 4 4 0 -18.0599400459915 3509170 CC(=NNC1=NC2=CC=CC=C2N1)C3=CC=C(S3)Cl 1 3.261 4 0 4.72405433340106 3509167 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=CC=CC=[N+]4[O-] 1 0.207 4 6 0 -23.3788707952295 3509165 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CNCC3=CC=NC=C3 1 1.552 4 3 0 -16.7596028278164 3488340 CC(=NNC(=O)C(=O)NC1=CC(=CC=C1)Cl)C2=CC=NC=C2 1 1.443 4 2 0 -5.99269190719396 3488316 CC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O 1 2.49 2 5 0 -6.26565724318726 3488276 CC1CCC2(CC1)C(=O)N(C(=O)N2)C(C)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 1.438 5 4 0 -21.1579001295136 3488273 C1=CC(=CC=C1CN2C(=O)C(=O)N(C2=O)CC(=O)N)Cl 1 0.431 3 4 0 -4.73190000361563 3488194 C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=NN=CS4 1 2.147 3 1 -9.91988397370299 3488168 CCOC(=O)C1CCCN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Br 1 3.28 2 6 0 -6.80650739809959 3488162 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 1.573 6 4 0 -14.6512648693063 3488161 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=NNC(=O)CC2)C 1 0.853 3 6 0 -24.7589742963807 3488029 C1=CC=C(C=C1)NC(=O)NNC2=CC=C(C=C2)[N+](=O)[O-] 1 2.439 4 3 0 -3.78809128484985 3487971 CC(=NNC(=O)CSC1=NN=CN1C)C2=CC(=C(C=C2)OCC3=CC=CC=C3Cl)OC 1 3.383 5 3 0 -23.641249787166 3487927 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)N 1 3.342 2 3 -8.62620012227812 3487957 CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNS(=O)(=O)C3=CC=CC=C3 1 3 2 3 -9.95311283053722 3487890 C1C(OC2=CC=CC=C2C1=NNC(=O)COC3=CC=C(C=C3)C#N)C4=CC=CC=C4 1 3.908 3 3 -5.88449409935387 3487882 CCOC(=O)C1=C(N2C(=O)C(SC2=C(C1C3=CC=C(C=C3)O)C(=O)OCC)C)N 1 2.269 2 6 0 -10.9147852712315 3487819 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)N 1 1.134 6 3 0 -10.3713018413543 3487774 CSCCC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)NC(=O)N 1 -0.584 4 5 0 -31.7768398401754 3487713 C1CN(CCN1CC2=CN=C(S2)Cl)C3=CC=C(C=C3)F 1 3.148 3 0 8.04502068989583 3487710 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)NC4CCCC5=CC=CC=C45 1 4.296 2 4 -10.5586303554446 3487667 CC1=CC=C(C=C1)OC2=NC=C(C=C2)C=NOC 1 3.13 2 2 2.47559983459869 3487666 CC1=CC=C(C=C1)SC2=NC=C(C=C2)C=NOC(=O)C3=CC(=CC=C3)OC 1 5.12 2 3 0.782867059814411 3487564 C1=CC=C(C=C1)CN=C2C(=CC3=C(O2)C=CC(=C3)Br)C(=O)N 1 3.454 2 2 -4.26894697305139 3487383 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NN=C3CCCCCC3 1 3.484 4 3 0 -14.1802264718199 3487260 CCCCNC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC3)C 1 3.026 2 4 -12.539389982825 3487246 CN1C(=O)C(NC1=S)CCC(=O)O 1 0.325 2 3 0 -9.62670918015992 3487159 CC1=C(N=C(S1)N=C2C=C(OC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5 1 5.384 2 3 5.02492863304468 3487142 CSC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC=CC=C4Cl)C#N 1 4.222 2 1 -16.0373327590004 3487064 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)C3=CC=CN3 1 1.617 2 6 0 -23.6534443118441 3487011 CC1=C(C=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NN=C(C)C(C)C)Cl 1 3.557 4 2 -11.1295486802593 3486944 CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C(=O)N(C(=O)N(C3=O)C)C 1 2.443 3 3 -7.78527052469305 3486877 CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC 1 4.903 3 5 0 -18.0714441753663 3486787 COC1=CC=C(C=C1)CCNCC(COC2=CC(=CC=C2)Br)O 1 3.542 1 3 1.65586696238856 3486786 CCCCNC1=NN=C(CS1)C2=CC3=C(C=C2)OCCO3 1 3.262 3 2 -5.39262292397742 3486739 C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC3=CN=CN3 1 1.648 4 1 0 -1.61928814799149 3486724 CC1=C(C(=NN1C)C)NS(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 1.362 3 4 0 -3.65281748520077 3486689 CC(C)N(C1CCN(CC1)C(=O)C)C(=O)NC2=C(C=CC=C2F)F 1 1.659 3 2 0 -4.6728904854412 3486674 CC(=NN1C(=CSC1=NCCOC)C2=CC=CS2)C3=CC=CO3 1 2.854 3 2 -6.52800036400753 3486491 C1=CC=C2C(=C1)C(=NS2(=O)=O)N(CCO)N=CC3=CC=C(C=C3)Cl 1 2.596 3 3 0.977940547586852 3486381 COC1=CC(=C(C=C1)C=NNC2=NC(=O)C(S2)C3=CC=CC=C3)OC 1 3.637 3 3 -3.78699381832573 3486379 COC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CS4)C5=CC=CC=C5 1 5.163 4 4 0 -4.65014571981617 3486295 CC1CCCCC1NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.806 2 5 0 -15.6344410451638 3486281 C1CC(C(=O)NC1)C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 0.809 4 4 0 -19.1439509210457 3486198 COC1=CC(=C(C=C1)OC)C=NNC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.288 4 6 0 -26.8389676727828 3486183 CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl 1 4.319 4 3 0 -9.37271029698275 3486177 CC1=CSC2=NC=C(C(=O)N12)C(=O)NC3=CC=C(C=C3)C(=O)OC 1 0.995 3 4 0 -14.1292555689106 3486160 C1CC2C(C(C1)C2Cl)S(=O)(=O)C3=CC=CC=C3 1 3.004 0 2 -5.42213837771216 3486150 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C)C 1 4.694 4 3 0 1.6200628047125 3486075 CCN(CC)C(=S)SC1CCCCN(C1=O)C(=O)C2=CC=C(C=C2)F 1 4.874 2 2 -7.92793505623774 3485992 C1=CC=C(C=C1)S(=O)(=O)C2=NC=C(C=C2)N 1 1.574 2 2 0 -4.84923165693889 3485855 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CC3CC2C=C3 1 1.425 2 3 0 -4.64456087919918 3485817 CCCC(C)C(=O)NC1=CC=C(C=C1)C(=O)N 1 1.994 2 2 0 -13.3949287030353 3485803 CC1=NNC(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3 1 2.559 3 2 -6.36352581074962 3485784 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3 1 2.804 4 3 0 -23.5743152518519 3485783 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCCC(=O)O 1 1.811 3 5 0 -21.4732778781961 3485757 CC1=C(C(=CC=C1)C)NC2=NN=C(S2)SCC3=CN4C=CC=C(C4=N3)C 1 4.298 5 0 -10.3991795812502 3485715 CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C 1 3.192 3 4 0 -12.0470243347616 3485696 C1=CC=C(C=C1)SC2=C(C=CC=N2)C=NO 1 3.163 2 1 3.62229425572308 3485671 CC1=CC=CC=C1C(=O)NC2=CC=CC=C2NC(=O)C3=CC=CC=C3Br 1 4.634 2 2 -7.92371150593446 3485668 CC(=O)SCC(=O)N=C1N(C2=CC=CC=C2S1)CC(=O)OC 1 2.121 2 4 -7.91028788787311 3485661 CN1C=CC=C1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.717 3 6 0 -24.7057858637019 3485634 CC1=CC(=CC=C1)OC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C 1 3.105 4 3 0 -11.8666482411373 3485622 COC1=CC=C(C=C1)C2C3(C(=N)OC4(O2)CCCCC4C3(C#N)C#N)C#N 1 2.101 4 3 0 -1.22809846846735 3485462 C1=CC(=C(N=C1)SC2=NNC(=N2)N)[N+](=O)[O-] 1 1.307 6 2 0 -3.89598324632027 3485450 CC1CCCN(C1)C(=O)NC(=O)C2=CC=C(C=C2)Cl 1 2.924 2 2 -5.01420327120938 3485445 CC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)C 1 2.048 3 4 0 -12.8044660331272 3485360 CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=C(C=C4)Cl 1 4.032 1 6 0 -13.0153146185937 3485308 CC1=C(SC(=C1C(C2=CC=C(C=C2)Cl)N3CCN(CC3)CCO)NC(=O)C4=CC=CC=C4)C 1 4.801 3 2 -5.84428597011803 3485268 C1=CC=C2C(=C1)NC3=C(C(C(=C(N23)N)C#N)C4=CC=C(C=C4)Br)C#N 1 3.865 5 0 -8.55013196724959 3485108 C1CC1C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC(CC4=O)C5=CC=CC=C5 1 2.615 4 4 0 -20.1880652365894 3485020 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)CC4CCCO4 1 2.12 4 7 0 -35.3687874220807 3485014 C1=CC=C(C=C1)CCOC(=O)C2=CC=C(C=C2)N 1 2.843 1 2 -2.46679038290593 3484941 CCOC(=O)C1=CC2=C(C3=CC(=CC(=C3OC2O)Cl)Cl)N=C1C 1 3.839 1 4 -0.565307669521229 3484885 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CN2CCC3=CC=CC=C3C2 1 2.187 3 4 0 -16.6695756136372 3484779 CCCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=CS2 1 3.189 1 4 -11.3851631323222 3484704 C1COCCN1CCNC(=O)C2=CC=C(C=C2)OCC(F)(F)F 1 1.855 2 3 0 -11.4929435219978 3484601 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)CCC(=O)C2=CC=CS2 1 1.228 2 4 0 -15.7768310801157 3484546 CCCCCCCCCCS(=O)(=O)NN=CC1=CC=C(C=C1)[N+](=O)[O-] 1 4.77 3 4 0 -5.52377747559853 3484520 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3CCCCC3 1 3.514 3 3 -10.1514400119034 3484490 COC(CNC1=CC(=O)OC2=CC=CC=C21)OC 1 1.072 1 4 0 -7.56984051749234 3484365 CC(C1CC2CCC1C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 2.397 2 3 -15.8629736387363 3484360 CC(C)CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 4.106 2 5 0 -7.5993120700133 3484353 CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C=CC=C2Cl)Cl 1 4.604 1 3 -9.46683846873682 3484307 C1CC(OC1)CN2C(=NN=C2SC3=C(C=C(C=N3)C(F)(F)F)Cl)C4=CC=CS4 1 5.292 4 1 -10.098220819626 3484295 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C)OC 1 3.53 2 7 0 -14.8876722674166 3484268 COP(=O)(NC(=O)C(Cl)(Cl)Cl)OC 1 0.65 1 4 0 -5.8328884632519 3484267 CCOP(=O)(C(C1=CC=C(C=C1)Br)NCC2=CC=CC=C2)OCC 1 3.91 1 3 -2.40389044551954 3484223 CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC(=C(C=C3)OC)OC 1 0.274 2 6 0 -16.42639520566 3484201 CC1=C(SC(=N1)NN=CC2=CC(=CC=C2)O)C(=O)C 1 1.88 3 2 0 -1.26065202443553 3484193 CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)C3C4CCC(C3C(=O)O)O4 1 2.965 1 6 0 -8.28805196533137 3484165 COCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.845 4 4 0 -22.0006364957129 3484134 CC(C(C1=CC=CC=C1)N2CCOCC2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.091 3 2 -6.20987498557726 3484133 CCOP(=O)(C(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)OC)OC)OCC 1 2.799 1 6 0 -17.0234408514574 3484015 CC1=NC=C(C(=N1)C2=CC=C(C=C2)OC)N=NC3=CC=CC=C3 1 4.306 4 1 10.6020804237179 3484012 CCCSC1=NC2=C(C(=O)N1CC)SC=C2 1 3.411 2 1 -19.4587349408 3483862 COC1=CC(=CC(=C1OC)OC)C=NNC2=CC=C(C=C2)S(=O)(=O)N 1 2.104 3 5 0 -7.81334470759131 3483852 C1=CC2=C(C=CC=C2S(=O)(=O)C3=C(C=CC(=C3)O)O)C(=C1)S(=O)(=O)C4=C(C=CC(=C4)O)O 1 3.975 0 8 0 -1.69900874037133 3483757 CC1=CC=C(O1)C2C(C3=CC=CC=C3C(=O)N2C)C(=O)O 1 1.684 1 4 0 -7.31626772185495 3483755 C1=CC=C(C(=C1)C#N)OCC(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 2.949 2 4 -8.27374826292067 3483706 CC1CN(C2=NC3=C(N2C1)C(=O)NC(=O)N3C)C4=CC(=C(C=C4)C)C 1 2.656 5 2 0 -5.64582195875889 3483703 CC1=NC2=C(C(=N1)SCC(=O)C3=CC=CS3)OC4=CC=CC=C42 1 4.229 2 2 -5.12379728082778 3483624 CCCCN1C2=C(N=C1C3=CC(=CC=C3)F)N(C(=O)NC2=O)CC(C)C 1 4.345 4 2 -5.22552678964698 3483557 C1=CC=C(C(=C1)NC(=S)NC2=CC=CC=C2S(=O)(=O)N)S(=O)(=O)N 1 1.777 4 4 0 -10.1490583251597 3483549 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC=CS2 1 1.475 2 3 0 -10.1909707729362 3483545 CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)OC(F)F)C(=O)N4CCOCC4 1 4.612 3 3 -15.0996274154981 3483535 C1=CC=C(C=C1)OCC(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 2.955 3 3 -0.68741349772513 3483509 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NCC2CCCO2 1 1.484 2 6 0 -18.7202606576273 3483439 C1=CC(=CN=C1)C=NNC2=CC(=C(C=C2)Cl)C(=O)O 1 2.592 3 2 -2.19239370543928 3483367 COC1=C(C(=CC(=C1)C=NNC(=O)N)Br)OCC=C 1 2.141 3 3 -11.0508079965022 3483256 CC1=C(C=C(O1)C2=CC(=C(C=C2)OC)OC)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC 1 4.105 2 6 0 -8.53018613942483 3483213 C1CC(OC1)CNC(=O)C2=CC=CC=C2C3=NC(=NO3)C4=CC=CC=C4Cl 1 3.376 3 3 -10.1890452851709 3482999 COC1=CC2=C(C=C1)C=C(C(=N2)NC3=CC(=CC=C3)OC)C#N 1 3.314 3 2 1.70413135668371 3482939 CN(C)C=NC1=NC=C(S1)C(=O)C2=CC=CC=C2 1 2.03 3 1 -0.35770488128664 3482844 C1=CC=C(C=C1)N2C=C(NC2=S)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.729 3 2 -4.63699482040879 3482722 C1=CC(=CN=C1)C=NNC2=C(C=C(C=C2)F)F 1 2.709 3 0 2.60064575112863 3482712 C1=COC(=C1)CNC(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.722 2 2 -5.42111496187758 3482705 C1=CC=C(C=C1)NP(=O)(NC2=CC=CC=C2)OC3=CC(=CC=C3)Cl 1 4.307 2 2 3.42834838128564 3482650 COC1=C(C=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3CCCCC3)C4=CC=CS4)OC 1 4.505 2 5 0 -11.934304445114 3482649 COC1=CC(=CC(=C1OC)OC)C(=O)NN=CC2=C(N=C(S2)N3CCOCC3)C4=CC=CC=C4 1 3.099 4 5 0 -5.1296362205534 3482594 C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)CN3C=NC(=N3)[N+](=O)[O-] 1 1.824 6 3 0 -7.65229922561427 3482571 CCOC(=O)C1=CN=C(N=C1NNC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)N5C(=CC(=N5)C)C 1 4.904 8 2 0 -3.70250343859975 3482522 CC1(CC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(O1)(C)C)C 1 2.593 4 5 0 -4.68427605270813 3482515 CC(=NNC1=CC(=C(C=C1)Cl)C(=O)O)C2=CC=CC=N2 1 3.001 3 2 -2.57699360480923 3482340 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3)C 1 2.834 4 3 0 -25.3777764557415 3482159 CCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)NC2=NOC(=C2)C 1 4.468 2 4 -22.0680524618023 3482100 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=C(C=CC(=C3)OC)OC)CCN4CCOCC4)O 1 1.72 2 7 0 -19.2522545618018 3482073 C1CC(CN(C1)C(=O)C2=CC(=CC=C2)F)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.099 3 2 -3.07809130048691 3482060 CCC(C)N(C)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC 1 4.392 3 1 -11.1187092362316 3482053 CCC(C)N(C)C1CCN(CC1)C(=S)NC2=CC(=CC=C2)SC 1 4.95 3 0 -8.60326317785269 3481964 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NCCC3=CNC4=CC=CC=C43)C 1 2.705 2 3 1.20853249594739 3481963 CC1=C(C(NC(=O)N1)C2=CSC=C2)C(=O)OCC(C)C 1 1.918 2 3 0 -32.9458295235183 3481899 COCCOC1=C(C=C(C(=C1)NC(=O)C2=CC=CC=C2)Cl)Cl 1 3.796 1 3 -8.00630643201086 3481828 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NCC2=CC=CC=C2OC 1 0.195 3 7 0 -22.5109048277646 3481687 CC(=O)C1=C(C=CC(=C1)N2CCOCC2)[N+](=O)[O-] 1 1.314 2 4 0 -5.69732238059043 3481684 CCOC1=CC=CC=C1C(=O)NC2=CC=CC3=CC=CC=C32 1 3.855 1 2 -7.24609491597165 3481662 C=CCN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)C3=CC=CO3)O 1 2.6 1 4 -9.50116519542097 3481652 CCCCCCCCCC(=O)N1C(C(=O)NC2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)C(=O)O 1 4.472 3 5 0 -25.6932505371405 3481589 C1=CC=C2C(=C1)C(=O)N(C=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 2.348 4 4 0 -4.70921195026106 3481483 CC1=CSC(=C1N2C=CC=C2)C(=O)O 1 2.775 1 2 -4.19406593178774 3481480 CCOC(=O)CSC1=NC(=O)C2=C(N1)C=CS2 1 2.039 2 3 -16.4048150073289 3481469 C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CC=C5 1 3.555 3 4 0 1.12700728375589 3481356 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CCN=CC4C(=O)CC(CC4=O)(C)C 1 2.307 4 5 0 -0.222320593149943 3481272 CC1=CC=C(S1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)N(C)C 1 2.126 3 4 0 -17.79886430608 3481269 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 1.928 4 6 0 -27.2363572679381 3481266 CC1=CC2=C(C=C1)N(CCC2)N=O 1 2.684 2 1 -2.16915847510773 3481215 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4 1 2.981 3 5 0 -10.2570894298419 3480922 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3 1 4.26 3 3 -13.23164095325 3480882 CC(=O)NC(CC(=O)O)C1=CC=CC=C1 1 0.715 1 3 0 -10.3033299561913 3480867 CC(C)NC(=O)C1=C2NC(=O)C3=C(N2C(=S)S1)C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)Cl 1 4.675 4 3 0 -19.3682158573535 3480855 COC1=C(C(=C(C=C1)C2CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)OC 1 4.778 2 4 -8.41379678870631 3480774 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C3=C(C=C2)N(C=N3)C)[N+](=O)[O-] 1 2.625 4 4 0 -3.4981075537996 3480722 CC1=CN2C(=NC(=C2C(=O)NN=CC3=CC=CS3)C)C=C1 1 2.574 4 1 -5.2479228505909 3480709 CC1CC1C(=O)NCCC2=CC=C(C=C2)Cl 1 2.952 1 1 -5.34508772155837 3480614 CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4)C 1 3.281 1 7 0 -19.3139240433106 3480610 CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=O)CC3=CC=CS3 1 3.286 2 2 -16.6323078848791 3480608 CN1CCC2=C(C1=O)C=CC=C2OCC(=O)NC3=C(C=C(C=C3)OC)OC 1 1.905 2 5 0 -13.0979866811894 3480605 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)OC 1 1.507 3 5 0 -18.8936126136287 3480482 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)CNC(=O)C3=CC4=C(C=C3)OCO4 1 2.078 5 4 0 -21.5072411296383 3480429 CC(=O)OC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C(=O)O 1 3.637 0 4 3.65210869239017 3480396 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)N3)C 1 2.639 3 3 -7.89816381196046 3480392 CC1=C(C(=NN1CC(=O)NN=C(C)C2=CC=CS2)C)Br 1 2.295 4 1 -14.0303900115025 3480234 CC1=CC(=CC=C1)NC(=O)C2CC(=O)N=C(S2)NN=CC3=CC=CO3 1 2.852 4 3 0 -5.04225708544821 3480096 CCS(=O)(=O)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)O 1 2.303 1 7 0 -18.2963023045986 3480089 COC1=CC=CC=C1C(=O)NNC2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCCO4 1 1.011 3 6 0 -12.4146465711084 3480031 CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)C)C 1 1.756 3 3 0 -16.9750839422731 3480024 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NNC2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4 1 4.588 5 3 0 -1.25437992102064 3479929 COC1=CC=CC(=C1)C=NNC(=O)C(C2=CC=NC=C2)N3CCOCC3 1 1.264 4 3 0 -8.16079684663273 3479919 C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CC(=O)NCC(=O)NC4=C(C=C(C=C4Br)F)F 1 2.981 4 3 0 -26.144918925187 3479912 C1CC2CC1CC2CC(=O)OCC(=O)C3=CNC4=CC=CC=C43 1 3.618 1 3 0.597529369061579 3479906 C1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)F)C3=CC=CC=N3 1 4.576 3 0 -1.52308883608365 3479757 CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SCC(=O)N)C)C4=CC=CC=C4 1 4.096 4 1 -10.0435260088387 3479566 CC1=NN(C=C1C=NNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C 1 3.497 4 1 -1.6133465288334 3479518 CC1CCCC(N1N=CC2=CC=C(C=C2)N(C)C)C 1 3.398 3 0 -3.26256734730493 3479414 CC1=C(C2=C(C(=C(C=C2O1)Br)O)Br)C3=CC=CC=C3 1 5.052 0 2 7.42271153458077 3479403 CCCCC1=C(N(C(=NC1=O)SCC(=O)N2CCOCC2)C3=CC=C(C=C3)OC)O 1 3.428 3 5 0 -18.7494925765691 3479379 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC 1 3.808 4 4 0 -19.1384502938242 3479361 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F 1 4.95 2 3 -8.25453467698514 3479316 CC1=CC(=C(C#N)C#N)C=C(N1CCN2CCN(CC2)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C 1 3.439 6 1 0 -6.93931755922258 3479310 CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)C=NNC3=NC=C(C=C3)[N+](=O)[O-] 1 3.377 5 4 0 -4.64732861599982 3479154 CC1=CC=C(C=C1)C2=CSC(=N2)N(C(=O)C)N=CC3=CC=C(C=C3)OC 1 4.215 3 2 1.46611115219784 3479077 C1=COC(=C1)C(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])SCCO 1 2.661 1 5 -5.27328053608347 3479000 CC1=CC(=O)N=C(N1)N[N+](=O)[O-] 1 1.764 4 3 0 -10.5115307227716 3478916 CC1=C2C(C(C(CC2=NN1)(C)O)C(=O)C)C3=CC=C(C=C3)Cl 1 2.411 2 2 -6.66134158042539 3478878 C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCO 1 0.217 2 5 0 -7.89102027999892 3478806 CC(=NNC(=S)NC)C1=CC(=CC=C1)C(F)(F)F 1 3.154 3 0 -4.37010112245332 3478767 CC1CCCCN1S(=O)(=O)C2=C(C(=C(S2)C(=O)OC)C)C(=O)OC 1 2.516 1 6 0 -14.2990196291602 3478721 CC(=O)NCC1=C(C=CC=C1Cl)N2C=CC=C2 1 2.497 2 1 -7.56541812110762 3478648 CCCC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=CC(=C3C)C 1 2.898 3 3 -11.5674383995408 3478630 C1CCC2=NN=C(N2CC1)C3=NN=C4N3CCCCC4 1 2.158 6 0 -5.40389315535336 3478604 CC1=C(C(=O)C2=C(C(=COC2=C1)C3=CSC(=N3)C)NN)N=O 1 0.102 4 3 0 -1.61572635332277 3478472 CC1=C(C=C(C=C1)NN=CC2=CC3=C(C=C2)OCCO3)Cl 1 4.385 2 2 -0.763964193731024 3478404 CC1=CC(=O)N=C(N1)SCC(=O)NCC2CCCO2 1 0.386 3 3 0 -27.0831238127971 3478387 CC(C)N(C1CCN(CC1)C(=O)C)C(=O)NC2=CC=C(C=C2)Cl 1 1.913 3 2 0 -4.08910468638216 3478317 C1=CC=C(C=C1)C(=O)NN=CC2=C(N=C(S2)[O-])[N+]3=CC=CC=C3 1 2.747 4 2 -12.6490577199965 3478260 CC(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)NCC#C 1 3.612 2 1 -3.63028621928069 3478251 CC1=NN(C2=C1C(N3C4=CC=CC=C4NC(=O)C3=N2)C5=CC(=CC=C5)Br)C6=CC=C(C=C6)[N+](=O)[O-] 1 4.736 6 3 0 -10.8020564150277 3478244 CC(=NN1C(=O)CSC1=S)C2=CC=C(C=C2)Br 1 3.524 2 1 -6.1930428652433 3478173 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)N 1 1.819 1 3 0 4.27796806044444 3478128 CC1=CC=CC=C1N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=CS4 1 2.906 3 3 -10.5089444146584 3478095 C1=CC=C(C(=C1)C=NNC2=CC=CC=N2)C(F)(F)F 1 3.779 3 0 4.47297073434913 3478089 C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CSC(=N3)N 1 3.557 2 0 0.48625017637533 3478042 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CS3)C4=CC=CC=C4 1 3.238 4 1 -8.5481898678393 3477956 CC1C(=NNC1=O)C(=O)NN=C(C)C2=CC=CS2 1 0.736 4 2 0 -16.8887477282226 3477914 CS(=O)(=O)N1CCN(CC1)C2=NC(=CC=C2)Cl 1 0.641 3 2 0 -10.0965769061902 3477841 CC1=CSC(=C1N2C=CC(=C2)C(=O)C(=O)N(CC=C)CC=C)C(=O)OC 1 3.534 2 4 -13.5551699043712 3477838 CCN1C=C(C2=CC=CC=C21)C(=O)C(F)(F)F 1 3.506 1 1 -7.31505286161097 3477814 CCC1=CC=C(C=C1)OCC2=CN=C(S2)Cl 1 3.749 1 1 1.26571385495397 3477734 C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 2.162 3 3 -15.0579282793964 3477730 CC1=C(C2=C(C=CC=N2)C=C1)NC(=S)NC(=O)C3=CC=CC=C3 1 4.438 3 1 -9.0367191882507 3477721 C1=C(OC(=C1)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C=NN3C=NN=C3 1 2.038 6 5 0 0.372381060815711 3477686 C1=CC=C(C(=C1)C(=O)ON=C(C2=CC=CC=N2)N)[N+](=O)[O-] 1 1.559 4 4 0 -2.65201867191842 3477539 CC(C)CCNC(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)OC 1 3.703 2 2 -10.7538842876675 3477441 CN1C=C(N=C1)S(=O)(=O)NCC2=CC=CC=C2 1 0.956 3 2 0 -3.06591857225659 3477356 C1CCC(C1)N2C(CCC2=O)C(=O)N3CCC4(CC3)OCCO4 1 0.703 2 4 0 -13.6540618694706 3477351 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C 1 3.436 2 6 0 -13.7717675234295 3477349 COC1=CC=C(C=C1)CC(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.292 2 6 0 -14.6527963030157 3477235 COC(=O)C1C(C2=C(NC(=O)S2)SC1C(=O)OC)C3=CC=C(C=C3)Cl 1 3.049 1 5 -4.40184432576626 3477234 C1COCCN1C(=NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3 1 2.902 3 5 0 -7.9999863222213 3477116 C1CS(=O)(=O)CC1NC(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 0.581 2 5 0 -17.9271506026169 3477046 CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3)C 1 2.981 2 5 0 -16.0385678744978 3477045 CCC(CC)C1=NN=C(S1)NC(=O)C2=NNC(=O)CC2 1 1.082 5 2 0 -23.4047231677523 3477044 CC1CC1C(=O)OCC(=O)NC(=O)NCC2=CC=CO2 1 0.635 2 5 0 -11.3325768665683 3477004 CC1CC(=NC2=CC=CC=C2N1C)NNC(=O)C3=CC=CC=C3 1 2.518 4 1 -7.85357976310921 3476935 CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Cl)CN3C=NC(=N3)[N+](=O)[O-] 1 1.942 8 3 0 -15.5750810822106 3476819 C1CCCC(CC1)NC(=O)COC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 4.223 1 4 -10.4336999355335 3476779 CC1=C(C=C(C=C1)Cl)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CO3 1 5.122 4 1 -4.40377172108128 3476777 CN(C)CCCNC(=O)CCC1=NC(=O)C2=CC=CC=C2N1 1 0.454 4 2 0 -16.5183228227813 3476725 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NNC4=CC=C(C=C4)C(=O)O 1 5.205 4 2 5.61864707120048 3476681 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3Br 1 3.712 1 3 -11.3503239492542 3476606 CCCCNC1=C(C2=NSN=C2C=C1)[N+](=O)[O-] 1 2.989 4 2 -0.65102130808468 3476459 C1CS(=O)(=O)CC1N(CC2=CC=CO2)C(=O)COC3=CC=C(C=C3)F 1 1.557 1 5 0 -15.512818799048 3476320 CC1=CC(=C(C=C1)OCC(=O)NN=C(C)CC(=O)NC2=CC=CC=C2)Br 1 3.025 3 3 -5.79101519768917 3476149 CN(C)C(CNC(=O)CCS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2 1 2.414 2 3 -17.733724186793 3476082 CN1C=NN=C1SC2=C(C=CC(=C2)N3CCNCC3)[N+](=O)[O-] 1 1.537 6 2 0 -12.7912093513527 3476067 CC1CC2=CC=CC=C2N1C(=S)NC(=O)C3(CC3(Cl)Cl)C 1 4.319 2 1 -10.2341272387853 3475954 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=CC=CC3=C2N=CC=C3 1 2.311 3 3 -16.0295411154026 3475882 C1C2CC(C1C=C2)C=NNC(=O)C3=CC=CC=C3O 1 2.027 2 2 1.6313678032356 3475758 CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC(=C(C(=C5)OC)OC)OC 1 3.646 2 8 0 -17.9597329639343 3475757 C1CC2C(C2(Cl)Cl)CCC3C1C3C(=O)NC4=CC=C(C=C4)F 1 3.783 1 1 -3.47052508677778 3475719 CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)C1)C 1 3.368 1 6 0 -12.2409476813257 3475529 COC1=C(C=C(C=C1)C2=C(N=C(C(=O)N2C3=CC=CC=C3)NCC4=CC(=CC=C4)OC)Cl)OC 1 4.29 3 4 0 -4.39608203715914 3475480 CC1=NNC(=O)C1CC(=O)NN=CC2=C(C(=CC=C2)OC)OC 1 0.172 4 4 0 -16.9342568824286 3475144 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3C(CC4=CC=CC=C43)C 1 3.608 2 4 -19.1657966092749 3475121 CC1=CC(=C(C=C1)C(=O)NN=C2CCC3=CC=CC=C32)C 1 3.961 2 1 -5.18028117581701 3475101 CC1=NN=C(N(C1=O)N)SCC2=C(C=CC=C2Cl)Cl 1 2.972 4 1 -10.9451969662851 3475063 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C43)OC 1 1.559 2 8 0 -34.9339724383264 3475000 COC(=O)C1=CC(=COC1=N)C(=O)C2=C(C=CC(=C2)Br)O 1 2.064 1 5 -0.186257287168199 3474998 CCCCN1C2=C(C=C(C1=NC(=O)C3=CC=CO3)C(=O)OCC)C(=O)N4C=CC=C(C4=N2)C 1 3.074 4 5 0 -18.370134348757 3474988 C1=CC=C(C=C1)C(=NOC(=O)C2=CC(=CC=C2)F)C3=CC=NC=C3 1 3.843 2 2 -0.367816552438273 3474983 COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5)Cl 1 3.119 2 4 -5.85494394451393 3474982 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CC(=CC=C3)N4C(=O)C5C6CC(C5C4=O)C=C6 1 3.395 3 3 -0.464254069091369 3474981 COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5)OC 1 2.439 2 5 0 -9.49849759650126 3474979 CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4 1 3.054 2 3 -12.4350243072643 3474963 COC1=C(C=C(C=C1)C2=NN(C=C2C=NNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])C4=CC=CC=C4)OC 1 4.189 6 6 0 0.291223803357481 3474949 C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5 1 4.98 4 1 -6.57065358702388 3474853 C1=CC2=C3C(=C1)N(S(=O)(=O)C3=CC=C2)CC4=CC=C(C=C4)C(=O)NN=CC5=CN=CC=C5 1 2.888 4 3 0 -3.51100796077675 3474783 C1=CC=C(C=C1)CC(C2=NC(=NO2)C3=CC=CC=C3)N 1 2.559 3 1 3.76483243876511 3474777 COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)NC4CCCC4 1 3.721 3 2 -4.09180284206007 3474776 COC1=CC=CC=C1N2C=NC3=C2C=CC(=C3)C(=O)NC4CCCC4 1 3.721 3 2 -8.72147341006263 3474759 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN=C3SCC4=CN=CC=C4 1 2.775 4 3 0 -26.7092286622337 3474733 CC1=NC(=NC=C1)SCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.874 3 2 -10.0381420182908 3474706 C1CN(CCC1C(=O)NC2=CC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)F 1 3.454 2 2 -1.1848680787106 3474705 CCC1=CC=C(C=C1)OCC(=O)NCC 1 2.164 1 2 -6.93200191543138 3474668 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=C(C=C4)Br 1 3.52 5 3 0 -25.2187634944724 3474654 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)NC4=C(C=C(C=C4)Br)F 1 2.848 3 3 -4.26531759261032 3474538 C1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=CC=C4 1 3.763 1 1 -3.71307559460535 3474419 CC1CCCCN1CCNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4 1 1.911 4 4 0 -29.6712381752349 3474418 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC6=C(C=C5NC4=S)OCO6 1 2.659 6 4 0 -2.96534725212876 3474412 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSC3=NNC(=N3)N)Cl 1 0.553 6 4 0 -21.3322161020367 3474332 C1CCC2(C1)N=C(C3N2C3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5 1 4.149 3 2 1.41137912562782 3474318 COC1=C(C=C(C=C1)C=O)CSC2=C(C=CC=N2)C(=O)O 1 2.716 1 4 -15.4335704855592 3474248 CC1CCCCC1NC(=S)NC(=O)C2=CC=CS2 1 4.042 2 1 -12.7288664813204 3474243 CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=CO3)C(=O)N1CCC4=CC=CC=C4 1 2.181 3 3 -13.9329675318765 3474159 CCSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4 1 4.291 4 1 -17.2870314926867 3473975 C1COCCN1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4 1 1.165 4 3 0 -12.4500292224959 3473949 CC(C)C1=CC=C(C=C1)NC(=O)CNCC(C2=CC=CC=C2)N(C)C 1 3.365 3 1 -5.07143069883821 3473938 C1CCC(CC1)NC(=O)CCN(C2=NS(=O)(=O)C3=CC=CC=C32)NC(=O)C4=CC=CC=C4 1 2.825 4 4 0 -15.8080871636491 3473933 CC1=CC=C(C=C1)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4 1 4.226 1 2 -0.916391092413769 3473830 CC(=O)N1C=C(C2=CC=CC=C21)N(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CCl 1 3.443 3 4 0 -3.33321504701934 3473798 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)CN3C=NC4=CC=CC=C43 1 3.52 3 5 0 -22.9909601670417 3473732 CC1=CC=C(C=C1)C2C3=CC=CC=C3OC(=C2C=NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C6=CC=CC=C6 1 6.019 3 2 -10.4281535967837 3473759 C1=CC=C(C(=C1)C=NNC(=O)CNC(=O)C2=CC=CO2)[N+](=O)[O-] 1 1.032 4 5 0 -13.662708573371 3473655 CC(=NNC1=NN2C=NN=C2C=C1)C3=CC=C(S3)Br 1 2.18 6 0 -4.81856157574022 3473654 CC(=NNC1=NN2C=NN=C2C=C1)C3=CC=C(S3)Cl 1 2.071 6 0 -1.56808771986374 3473560 CC(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)C2=CNC(=C2)C(=O)N=CN(C)C 1 3.381 4 2 0.349499620889211 3473493 CC1(CC(C(=O)O1)C(=O)NC2=CC=CC=C2)C 1 1.619 1 3 0 -5.01245764524918 3473430 C1=CC=C(C=C1)CCNC(=O)CN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43 1 2.343 4 3 0 -12.8689841812923 3473412 C1C(C(=O)N(C1=O)C2=CC=CC=C2)N(CCC3=CC=CC=C3)C(=S)NC4=CC=CC=C4 1 5.648 3 2 -9.43932227530241 3473346 CC(=NNC(=O)C1=C(C=NN1C)Cl)C2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3 1 2.889 5 3 0 -11.2660662414592 3473270 CC1=CC=C(C=C1)SC2=C(N(C(=O)S2)C)S(=O)(=O)C3=CC=C(C=C3)C 1 5.558 1 3 -5.15033380680824 3473251 COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OS(=O)(=O)C)C(F)(F)F 1 3.58 0 6 -3.92750162895256 3473223 CN(C)C1=CC=C(C=C1)P(=O)(C(C2=CC=CC=C2)O)OCC3=CC=CC=C3 1 4.215 1 3 -6.95599286084957 3473207 CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=C2)C 1 3.628 4 1 -2.96195562456952 3473189 C1CC2C(C(C1O2)C(=O)NCC3=CC=C(C=C3)Cl)C(=O)O 1 1.495 1 4 0 -5.92043551974783 3473182 CC1=CC=CC=C1S(=O)(=O)N(CC(CN2CCCCC2)O)C3=CC=CC=C3 1 3.554 2 3 -9.82919741049948 3473129 CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C 1 2.098 2 6 0 -25.2016307441379 3473123 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3(C4=CC=CC=C4NC(=O)N3C5=CC(=C(C=C5)Cl)Cl)O 1 4.074 3 5 0 -7.00029381794598 3472985 C1C(OC2=C1C3=CC=CC=C3C=C2)C(=O)NCCCl 1 2.657 1 2 -5.27973556567973 3472956 CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=NC=C4 1 1.998 9 3 0 -24.5974125659253 3472747 CC1=C(C=C(N1CC(=O)N2CCCC2)C3=CC=CC=C3)C(=O)C 1 2.551 2 2 -8.43594151377095 3472610 CC(=NNC(=O)COC1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC 1 2.466 2 4 -7.7001042028055 3472571 CCN1C(=O)CC(C1=O)NNC(=O)C2=CC=CC=C2 1 1.4e-002 3 3 0 -9.28731378173548 3472541 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)CN3C=NC(=N3)[N+](=O)[O-] 1 2.026 8 3 0 -17.9586113934306 3472367 CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)C(C(C)O)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.856 2 7 0 -19.284685151292 3472299 CC1(CC2CC(C1)(CN2C(=O)COC(=O)C3=CC(=CC(=C3N)Cl)Cl)C)C 1 3.574 2 3 -13.8994217820364 3472242 CCOC1=CC=CC=C1NC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.735 1 4 -9.99402900025193 3472204 CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)CN5CCCCC5C)O 1 4.857 3 3 1.09107386272483 3472199 CC1=NN(C(=O)N1C2=CC(=CC=C2)F)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.881 4 3 0 -3.15619677940495 3471858 CC1=CC=C(O1)C2=NN(C=C2C(=O)O)C3=CC=CC=C3 1 3.173 2 3 8.53591940185026 3471847 CC(C)C(CC(=O)N1CCCC1)C2=CC=C(C=C2)OC 1 3.139 1 2 -7.10088743086862 3471769 CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(C=C3N2C=CC=C3)C 1 4.5 2 2 -3.88825228802297 3471705 CCC(C)C1=CC=C(C=C1)NC(=O)CC(=NNC(=O)C2=NC=CN=C2)C 1 1.733 5 2 0 -11.8002460967658 3471603 CC(=NNC(=O)CSCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2 1 2.958 3 3 -13.7284149789693 3471489 CC(C)CC(C(=O)O)N(CC1=CC=CC=C1)CC2=CC=CC=C2 1 1.649 1 2 0 -4.05850270585149 3471437 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C(=O)O 1 3.04 2 4 -13.4300177433725 3471422 CC1=C(C=CC(=C1)F)S(=O)(=O)NCC2CC3CCC2C3 1 3.297 1 2 6.09344431548596 3471411 COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(C(=CC=C3)OC)OC)C(=O)CSCCC(=O)OC 1 3.139 2 6 0 -18.709134764604 3471371 C=CCNC1=NC(=O)C2=CC=CC=C2N1 1 1.442 3 1 0 -8.64980635422013 3471370 CC(C1=CC=NC2=NC(=NN12)N=CN(C)C)OC3=CC=CC(=C3)OC 1 1.873 6 2 0 -4.60197815300006 3471287 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O 1 2.447 3 6 0 -5.28741754566539 3471267 C1COCCN1C(=O)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl 1 5.389 3 2 -2.23405391943334 3471158 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCSCC2=CC=CO2 1 2.014 2 5 0 -10.1975345286692 3471091 CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN4CCCC(=O)N=C4S3)C5=CC=CS5 1 4.999 5 2 0 -14.2918347100252 3471036 CCOC(=O)C1=CC=C(C=C1)CNCC2=CC=C(C=C2)Br 1 3.903 1 2 -2.86146717381789 3471026 CCOC1=CC=C(C=C1)N(CC(=O)NN=CC2=CN=CC=C2)S(=O)(=O)C 1 0.833 4 4 0 -13.4658505916866 3471007 C1=CC=C(C=C1)OCC(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 3.07 1 4 -6.23805788667097 3470902 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)N4CCCC4 1 3.432 4 4 0 -2.58808962284681 3470883 COCCN1CC2=CC(=O)N3C4=CC=CC=C4N=C3C2=C1N 1 1.376 4 2 0 -6.57208231996384 3470882 CCOC(=O)C1=C(OC(=C(C1C2=C(C=CC(=C2)F)F)C#N)N)C 1 2.374 2 3 -11.2093962286408 3470873 CCCC(=NNC(=O)C1=CC=CC=C1F)CCC 1 3.441 2 1 -10.07148157573 3470824 CC1(C(C1C(=O)N(CC2=CC=C(C=C2)Cl)C3CCS(=O)(=O)C3)C=C(Cl)Cl)C 1 3.609 1 3 -11.9569614218969 3470803 CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.78 4 4 0 -13.580050081415 3470772 C1C(OC2=C1C3=CC=CC=C3C=C2)C(=O)NNS(=O)(=O)C4=C(C=C(C=C4)F)F 1 2.939 2 4 -3.70614299357057 3470760 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CC=C(C=C3)OC 1 2.601 4 4 0 -15.7307919185631 3470730 CN1C(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)Cl)C(=O)N(C1=O)C 1 3.507 2 4 -3.05317244134625 3470599 COC1=CC2=C(C=C1)NC(=C2NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)O 1 2.707 3 6 0 -7.52444388506893 3470615 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=C(C=C4)F)C(=O)NC5CCCCC5 1 3.347 5 2 0 -17.7113689778014 3470590 CCN(CC)CCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC=C(C=C3)Cl)O 1 3.643 4 3 0 -4.59780268829705 3470588 CCN(CC)CCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC(=C(C=C3)C)C)O 1 3.951 4 3 0 -6.12251995141747 3470586 CCN(CC)CCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC(=CC=C3)OC)O 1 2.962 4 4 0 -5.96381051533477 3470584 CCCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC=C(C=C3)Cl)O 1 3.679 3 3 -6.03662621805438 3470516 CCC(C(=O)O)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C 1 2.798 2 4 -17.5429231948289 3470481 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3 1 4.11 1 4 -16.3917866671011 3470470 CC1COC2=CC=CC=C2N1C(=O)C3=C(N=CC=C3)Cl 1 2.723 2 2 -4.60730228846943 3470461 CC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC4=C(C=C3)OCCO4 1 3.371 0 4 -2.79938405255108 3470244 CC(=C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C2=CC=CC=C2)C 1 2.93 2 4 -15.2547213130393 3470225 CC(C)OP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)Br)O 1 4.106 1 3 -5.31842019396474 3470202 CC1=CC=C(O1)C=C2C(=O)N3CN(CN=C3S2)C4=CC(=CC=C4)Br 1 4.291 3 2 -10.6651648087809 3470195 CC1=C(C=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O)Cl 1 4.67 2 3 -12.2556147114639 3470154 CC1=CC=CC=C1OC2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O 1 3.863 1 4 -1.77669629539476 3470018 CC1=C(C(N(C(=O)N1C)C)C2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] 1 1.37 3 5 0 -14.5545113886641 3470012 CC1=CC=C(C=C1)C2N(C(=O)CS2)CC3=CC=CC=C3 1 3.732 1 1 -9.74826654904023 3469990 C1CC2=C(C=C(C(=O)O2)NC=C(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=O)C1 1 2.894 1 5 -11.881783771947 3469947 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC=NC=C4)C(=O)C5=CC=NC=C5 1 4.497 3 5 0 -12.6631828123792 3469946 CCOC1=CC=CC2=C1OC(=NCC3=CC=CC=C3)C(=C2)C(=O)N 1 3.038 2 3 -6.92814261587575 3469845 CC1=CC2=C(N1)C=CC(=C2)CNC(=S)NC3=CC=C(C=C3)OC(F)F 1 5.34 3 1 -4.06989804333307 3469820 CN(C)CCNC(=O)C1CC(=O)N(C1)C2=CC(=C(C=C2)F)Cl 1 1.318 3 2 0 -8.87933429170247 3469801 CC1(C(N(C(=S)S1)N=CC2=CC=CC=C2)N(C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O)C 1 4.721 5 4 0 -5.65187368820169 3469750 COC1=CC=C(C=C1)CN2C3=C(C=C(C2=N)C(=O)NC4CCCCC4)C(=O)N5C=CC=CC5=N3 1 2.679 5 3 0 -18.479905838015 3469746 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)Br)C(=O)OC 1 5.496 3 3 -33.9544446671994 3469719 CC1(C2(CCC1(C(C2=O)Br)C(=O)NC3=CC=CC=C3Cl)C)C 1 3.941 1 2 -5.97288541535865 3469628 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCN2CCOCC2)CC3=C(C=CC(=C3)OC)OC 1 1.444 3 6 0 -12.4960645349315 3469597 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.524 3 5 0 -12.9998688946613 3469571 COC1=CC=CC(=C1OC)C2C(C(=O)N2CC3=CC=CC=C3)(F)F 1 3.133 1 3 -4.16550260839968 3469498 CC(C)NC(=O)C1=NN(C(=O)CC1)C2=CC=CC=C2 1 1.238 3 2 0 -18.1672028805893 3469440 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC5=C(S4)C=C(C=C5)OC)OC 1 4.123 4 5 0 -6.70017621259846 3469390 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)NN=CC2=CC=CC=C2Cl 1 1.524 4 4 0 -16.1573182783776 3469386 CC1=CC=CC=C1NC(=O)C2=C(NC(=S)NC2C3=CC=C(O3)C)C 1 3.202 3 2 -29.202578886958 3469372 CC1=CC=CC=C1N2C(=S)NC3C(C2(OC4=CC=CC=C34)C)C(=O)N(C)C 1 4.148 3 2 -3.94874496874759 3469371 CC1=CC=C(C=C1)N2C(=S)NC3C(C2(OC4=CC=CC=C34)C)C(=O)N(C)C 1 4.148 3 2 -4.67037803779076 3469354 CCC1=CC=C(C=C1)NC(=O)NCCCN2CCCC2=O 1 1.604 3 2 0 -20.443906207464 3469261 C1CS(=O)(=O)CC1NC(=O)COC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 -0.721 3 9 0 -27.4767531361357 3469188 CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 1.627 6 6 0 -25.5287850929383 3469162 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CN=CC=C3)[N+](=O)[O-] 1 1.77 5 4 0 -14.4280704224145 3469075 CC1CCCCC1NC2=C3C=CSC3=NC=N2 1 3.637 3 0 -6.68335557153809 3469023 COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=CC=C3OC 1 3.734 2 5 0 -9.17324317753548 3468808 CCCCNC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CC4=CN=CC=C4 1 1.462 6 2 0 -24.7618096404495 3468804 COC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NS(=O)(=O)C4=CC=C(C=C4)Cl 1 2.467 4 6 0 -3.79109314079619 3468767 C1=CC=C(C=C1)OCC(=O)NCC(=O)NN=CC2=CC=C(C=C2)Br 1 2.326 3 3 -12.1828614187093 3468758 COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.949 3 5 0 -9.52231502062734 3468748 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NNC(=N3)N 1 0.553 6 4 0 -22.2117803719009 3468715 CC1=CC=C(C=C1)SC(CC(=O)C2=CC=C(C=C2)F)C(=O)O 1 4.184 0 3 -3.01759302330676 3468638 CC1=CC=CC2=CC(=C(N=C12)Cl)C3CC(=NN3S(=O)(=O)C)C4=CC=CS4 1 4.042 3 2 -3.0259060838893 3468585 C1CN(CCN1CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O)C4=CC=CC=N4 1 3.892 3 2 -5.36738906884065 3468432 CC(C)(C)C1=CC=C(C=C1)CNC(=O)C2CCCN2C(=O)NC3=CC=CC=C3 1 3.792 3 2 -8.94140961771592 3468344 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2COC3=CC=CC=C3O2)Cl 1 1.876 2 7 0 -11.5483417367793 3468335 COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 1.455 2 6 0 -17.8220380372777 3468329 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3)C 1 3.169 4 2 -10.0683420222888 3468281 CC1=NNC(=O)C1CC(=O)NN=CC2=CC=CS2 1 0.158 4 2 0 -17.768218670871 3468280 CCOP(=O)(C#CC1=CC=CC=C1)C(C2=CC=C(C=C2)Br)O 1 3.857 0 3 0.700637083751979 3468278 CC1=CC(=NC(=N1)N)NN=CC2=CC=CC=C2 1 1.628 5 0 0 1.74317475936825 3468055 CC(C1=CC=CC=C1)C2=NN=C(S2)NC(=O)NC3=CC=CC=C3F 1 3.624 4 1 -10.9662926187201 3468009 CC1=CC(=NN1CC(COC2=CC(=CC=C2)OCC(CN3C(=CC(=N3)C)C)O)O)C 1 2.229 4 4 0 -6.63327248121362 3467959 CCC1=CC=C(C=C1)NC(=O)CC(=NNC(=O)COC2=CC=CC=C2C)C 1 3.219 3 3 -6.15921915349657 3467954 C1CCCN(CC1)C2=NC(=NC=C2[N+](=O)[O-])N 1 1.174 5 2 0 -1.61021557665491 3467855 CCOC(=O)C1=C(C2=C(S1)N=C(S2)NC(=O)C3CC3)C 1 3.039 2 3 -10.2710713927245 3467839 COC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCCC2=CC=CC=C2)C3=CC=CO3 1 2.838 2 5 0 -21.4700461481586 3467731 CC1(CC2CC(C1)(CN2C(=O)COC(=O)C3=CC(=C(C=C3)Cl)N)C)C 1 2.91 2 3 -15.9882716836821 3467711 CC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC2CCN(CC2)C(=O)C3=CC=CC=C3F 1 1.697 3 4 0 -16.3992577467143 3467703 C=CCN1C(=O)C2=C3C(=C(C=C2)Br)C=CC=C3C1=O 1 3.136 1 2 -2.19524797023746 3467673 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2CCC(CC2)C(=O)N3CCC4(CC3)OCCO4)C 1 3.422 2 5 0 -15.4727838510223 3467642 CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)C3=CC=CC=C3 1 1.296 2 4 0 -3.99800910245033 3467552 CC(=O)N1CCN=C1SCC2=CC(=CC=C2)Cl 1 2.892 2 1 -8.65978419126855 3467540 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC(C)C(=O)N(C)C3=CC=CC=C3 1 4.58 2 6 0 -9.88938843330181 3467486 CCCNC(=O)CC(C1=CC=CO1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 1.805 2 5 0 -22.9441944187362 3465827 C1=CC(=C(C=C1F)F)C(=O)C2=CNC(=C2)C(=O)C(Cl)(Cl)Cl 1 4.448 1 2 0.511520900431631 3465734 C1CCC(=CC1)CCNS(=O)(=O)C2=CC=CC=C2Cl 1 3.732 1 2 -8.88788127746991 3465675 CCCCNC(=O)NC1=NC(=NN1)SCC(=O)OCC 1 1.695 5 3 0 -18.1424625785963 3465673 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC4=NC=C(C=C4)C(F)(F)F 1 4.764 3 2 2.52033618826634 3465545 CC1=CC=CC=C1N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCCCOC 1 1.492 3 5 0 -25.6569299870074 3465001 CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3S(=O)(=O)C)C4=CC=CO4 1 3.33 3 4 0 -1.01284162934617 3464982 CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC(=CC(=C3)OC)OC 1 0.899 3 7 0 -15.1058604493849 3464980 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 2.819 2 5 0 -13.4161563620946 3464958 CCCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C 1 1.645 4 2 0 -15.0584082931853 3464867 CC1=CC=C(C=C1)C(=O)C=C2NC(=O)C(=CC3=C(C(=CC=C3)OC)OC)S2 1 4.037 1 4 0.290355296020868 3464866 CC1=CC=C(C=C1)C(=O)C=C2NC(=O)C(=CC3=C(C=C(C=C3)OC)OC)S2 1 4.037 1 4 1.1165401359539 3464864 CC1=CC=C(C=C1)C(=O)C=C2NC(=O)C(=CC3=CC(=C(C=C3)OC)OC)S2 1 4.037 1 4 -3.71985219846958 3464767 CC1=C(C(=NO1)C(=O)NN)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 1.935 5 3 0 -16.408233544853 3464731 CC1=CC(=CC(=C1)NCC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4)C 1 5.501 1 3 2.36569882337893 3464470 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NCC4=CC(=C(C=C4)OC)OC 1 5.049 3 2 -8.80455828268189 3464469 C1CC(=C(C1)NNC(=O)C2=CC=CC=C2N)C(=O)C(F)(F)F 1 1.73 3 2 0 -7.30477579124244 3464336 CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC=C(C=C3)C 1 4.403 1 3 -14.1586333529985 3464335 C1CN(CCN1C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 4.373 3 3 -20.5218003983981 3464148 CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CSC4=NC5=CC=CC=C5C(=O)N4CCCN(C)C 1 4.374 5 2 0 -26.0755616000061 3463997 CC(C)SC1CC(=O)N(C1=O)C2=CC=C(C=C2)OC 1 2.201 1 3 -1.56704226262246 3463935 CC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC(=N3)C 1 2.648 4 3 0 -13.6711456260263 3463914 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCCSC4=NN=NN4C5=CC=CC=C5 1 2.376 9 2 0 -20.5270967409898 3463881 CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3COC4=CC=CC=C4O3 1 4.014 3 3 -13.6734678133788 3463680 C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=NN=C(O3)C4=CC=NC=C4 1 2.213 4 2 0.273049612032391 3463675 C1=CC=C(C(=C1)C(=O)NC2=NN=C(O2)C3=CC=NC=C3)F 1 1.51 4 2 0 -3.86783350803575 3463672 CC1=CC=CC=C1C(=O)NC2=NN=C(O2)C3=CC=NC=C3 1 1.791 4 2 0 -5.06498559767659 3463671 CC(C)(C)C(=O)NC1=NN=C(O1)C2=CC=NC=C2 1 1.186 4 2 0 -8.5881872982448 3463564 CC1CCCC(N1C(=O)C2=NOC(=C2)C3=CC=CO3)C 1 3.003 2 3 -6.5913986185303 3463423 CC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)O)N3CCSCC3 1 4.94 1 1 4.27448035475949 3463345 CC(C)CC(=O)NC(=S)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 4.346 4 3 0 -9.5258709594231 3463218 CCN(CC)C1CC(=O)N(C1=O)C2=CC=CC(=C2)C 1 2.199 2 2 -0.135312842247009 3463212 CN(CC(CC(=O)O)C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Br 1 3.097 1 4 -10.3942520344098 3463143 CC(=O)NC1=CC=C(C=C1)C2=NN=C(SC2)NCCOC 1 1.137 4 2 0 -10.4091312441555 3463140 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)F 1 2.09 2 4 -12.7955325056311 3463134 CCCN1C(C2=CC=CC=C2C1=S)C3=CC=CC=C3 1 4.905 1 0 -3.11805379179374 3463041 C1=CC(=CC=C1CNC(=O)CCC(=O)O)F 1 1.008 1 3 0 -13.7944781176792 3462926 CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC 1 2.536 3 5 0 -13.5102609464296 3462774 CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)NC1=S 1 3.419 3 3 -14.0167082073379 3462773 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)N=C1SCC(=O)C4=CC=CC=C4 1 4.844 3 4 0 -24.4865063323129 3462759 CCCCNC(=O)C1=CC(=O)N(C2=CC=CC=C21)CC3=CC=C(C=C3)C 1 4.025 2 2 -8.04227403273105 3462727 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)CCSC2=CC=CC=C2 1 2.744 2 5 0 -15.5708419498531 3462706 CC1=NC(=C(C=C1)OCC2=CC=C(C=C2)Br)[N+](=O)[O-] 1 3.711 2 3 -1.83951726778823 3462589 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5OC4=O 1 3.762 2 4 -23.0895052534208 3462499 C1CN(CCN1CC(CSC2=C(C=CC=C2Cl)Cl)O)C3=CC=C(C=C3)F 1 5.163 2 1 2.45789600977082 3462492 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2OC 1 3.467 1 4 -14.2072293390467 3462370 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2CC3CCCC(C2)C3=O 1 1.487 2 6 0 -12.1441312225783 3462368 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 3.567 3 4 0 -7.37416344112634 3462345 CC(=NNC(=O)C1CC1C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C 1 2.161 3 2 -9.46038246044298 3462316 CCOC(=O)C1CCCN(C1)CC(COCC2=CC3=C(C=C2)OCO3)O 1 1.841 1 6 0 -9.74205135291281 3462314 C1C=CCC2C1C(=O)N(C2=O)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 0.846 2 5 0 -13.2158809012508 3462293 COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S 1 3.557 2 4 -8.77617196262567 3462168 CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CC2=CC=C(C=C2)Cl 1 3.789 1 4 -9.85863089727761 3462103 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 4.545 3 3 -4.93663537862844 3462088 CC1=CC(=C(N1C2=NC=CN=C2)C)C=NNC(=O)C3=CC=CS3 1 2.041 5 1 -7.32779298031291 3462028 CC1=CC2=C(N1C)C=CC(=C2)CNC(=S)NC3CCCCC3 1 4.744 3 0 -9.83288382931094 3462007 CC1=CC=C(C=C1)C=NNC(=O)C(C2=NNC(=O)C3=CC=CC=C32)NC(=O)C4=CC=CC=C4 1 3.098 5 3 0 -19.3451646312592 3461972 CN(C1CCCCC1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.614 2 6 0 -26.2370812264135 3461970 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CS3)N4CCOCC4 1 2.889 3 5 0 -7.35048529532852 3461934 CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=CC(=CC=C2)Cl)Cl 1 3.758 3 1 -0.330528515164165 3461931 CC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2C(F)(F)F)C)Cl)C 1 4.066 3 1 -2.51118358499125 3461928 CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=C(C=C(C=C2)F)F)Cl 1 3.505 3 1 -2.14166500347875 3461916 CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)CC(C)C)OCC 1 2.557 1 4 -13.8150386467187 3461857 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(O3)CS(=O)(=O)CC4=CC(=CC=C4)Cl 1 3.643 1 6 0 -7.94715693136671 3461813 CC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC4=CC=CC=C43)O 1 4.707 3 3 -16.5480496431803 3461804 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.337 3 7 0 -26.7663623540115 3461794 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=NC=C(C=C4N3)Br 1 2.345 7 3 0 -18.0247452612399 3461772 CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=CC=N3)N4CCN(CC4)C 1 4.027 4 1 -9.89145793232362 3461706 C1CC1C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)Cl 1 2.225 3 3 -3.45780457583039 3461683 CC1=CCC2(CC1(CN(C2)CC(=O)O)[N+](=O)[O-])[N+](=O)[O-] 1 -2.309 3 6 0 -5.51420495223841 3461277 CC1=CC=C(C=C1)CONC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.848 2 4 -1.75578267856795 3461114 CC(C1CC2CCC1C2)NC(=O)C3=CC(=C(C=C3)OC(F)F)OC 1 4.069 1 3 -9.78104286142726 3461043 CCOC(CN1C2=CC=CC=C2N=C1CCCO)OCC 1 2.345 2 3 -0.770908516033379 3461011 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=C(C=C4)F)C(=O)NC5CCCC5 1 2.891 5 2 0 -17.3569004636333 3461010 CC1=CC2=C(C=C1)C(=C(O2)C(=O)N(CC3=CC=C(C=C3)F)C4CCS(=O)(=O)C4)C 1 4.108 1 4 -4.15022909067902 3460857 C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)N5CCCC5 1 2.159 8 4 0 -5.92719933630632 3460832 CC1=NNC(=O)C1OC2=CC=CC=C2 1 0.86 2 2 0 -8.20946348671498 3460778 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=NC=C2)[N+](=O)[O-] 1 1.41 4 4 0 -9.25621830933148 3460715 CC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5 1 3.932 3 4 0 -11.5351511071692 3460713 CC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)C(=O)NCCN4CCOCC4 1 2.406 4 3 0 -11.9671875205701 3460648 CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(S2)Cl)S1)C)C 1 3.071 2 3 -7.54809765622844 3460553 COC1=CC=C(C=C1)C=NC2=NC3=CC=CC=C3N2CC=C 1 4.29 3 1 -0.450510955763109 3460570 CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)N(C)C3=CC=C(C=C3)O 1 3.83 2 3 -4.07154942204595 3460564 CC1=C(C=CC(=C1)OC(C)C(=O)NN=CCC(C)C2=CC=CC=C2)Cl 1 4.788 2 2 -6.08408554502184 3460371 CCOC(=O)CCCNC(=O)CN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 1.996 3 5 0 -22.1128782035937 3460368 C=CCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 0.988 4 6 0 -23.1374175832343 3460226 COC1=CC=C(C=C1)CNC(=O)COC(=O)CCC2CCCCC2 1 3.476 1 4 -15.2648884303239 3460200 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)C)[N+](=O)[O-])CC 1 3.677 5 4 0 -6.29053718646523 3460028 CCOC(=O)CN1C(=C(C(=N1)C(F)F)Br)C 1 2.311 2 2 -6.56443989386606 3459960 C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=N3 1 3.392 3 2 3.38502246669269 3459952 COC1=CC(=CC=C1)OCC(=O)NN=C2C3=CC=CC=C3C4=CC=CC=C42 1 3.835 2 3 -7.11471768546589 3459947 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F 1 2.278 3 6 0 -14.110314176245 3459938 COC1=CC=C(C=C1)C(=O)NN=C2C(=CC3=CC=CC=C3O2)C(=O)N 1 1.939 3 4 0 -7.30816764489352 3459801 CCC1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CO3 1 4.644 3 2 -10.3307656750048 3459799 C1=CC2=C(NC(=S)N(C2=O)NC(=O)COC3=C(C=C(C=C3)Cl)Cl)N=C1 1 3.528 4 3 0 -6.19532698439412 3459751 COC1=CC=C(C=C1)CC(CO)(C#N)C2=NC3=CC=CC=C3N2 1 2.926 3 2 -0.488322601803334 3459630 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(F)(F)F)NCC(=O)NC3=CC(=CC(=C3)Cl)Cl 1 4.172 3 4 0 -20.1566749385703 3459597 CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CC(=C(C=C4)OCC(=O)O)OC)S2)C 1 3.885 2 8 0 -37.3736573852617 3459577 CCC1=CC(=C(S1)N=CC2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC 1 3.593 1 4 -5.20237290521877 3459406 CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)OC(C)C(=O)C4=CC=CC=C4 1 3.492 3 6 0 -22.8122089010464 3459285 CC(C1=CC=CC=C1)C2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4 1 3.279 3 3 -12.5739173784871 3459279 C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)C2=CC=C(C=C2)Br 1 1.563 2 5 0 -21.4119361922314 3459274 C1=CC(=CC(=C1)NC(=O)C2=CC=[N+](C=C2)[O-])C(F)(F)F 1 1.562 2 2 0 -4.06647063804063 3459194 C1CC1N2C(=NC3=CN=CC=C3)SCC2(C4=CC=C(C=C4)OC(F)F)O 1 3.803 3 2 2.02007462337979 3459174 CN1C2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C3C1=O 1 2.738 1 3 -2.15845450531543 3459171 CCCCN(CC)C(=O)CN1C=NC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C 1 2.185 4 4 0 -30.7937928458056 3459129 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3CCCC4=CC=CC=C34 1 4.963 3 1 -9.44763265595282 3459088 CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NC4=CC=CC=C4O3 1 3.644 2 3 -14.5349773266259 3458991 CC1=CC=C(C=C1)N2C(C(C2=O)CN(C)C)C3=CC=CC=C3 1 3.238 2 1 -3.8958191428897e-002 3458822 C1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)O)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.796 1 4 -4.43106273047149 3458759 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 0.241 3 7 0 -21.6469550891212 3458678 CC(C)(C)NC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC 1 2.918 5 4 0 -10.7147497307756 3458502 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.921 2 5 0 -5.24513105831504 3458471 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CC(CN3S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])O 1 1.225 4 7 0 -10.6117064306451 3458391 CN1C2=C(C=C(S2)COC3=C(C=C(C=C3)Cl)Cl)C(=N1)C(F)(F)F 1 5.564 2 1 4.27378855771892 3458370 CC(C)(C)OC(=O)COC1=CC=C(C=C1)C=NNC(=O)CN2CCCCC2 1 2.564 3 4 0 -11.9603286747415 3458324 CC1CCN(CC1)C2=C(C=C(C=C2)C=NNC3=NN=CN3N)[N+](=O)[O-] 1 1.45 8 2 0 -7.64187666336562 3458318 CC1C2=CC(=C(C=C2CCN1CC3=C(C=CC(=C3)C4C5=C(CCN4)C6=CC=CC=C6N5)OC)OC)OC 1 5.592 3 3 -21.266672024907 3458281 CN(C)CCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=C(C=CC=C2Cl)Cl 1 3.088 2 4 -8.17503992387966 3458260 C1CN(CCC1C(=O)N)C(=O)C2=CC=C(O2)CS(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 2.629 2 5 0 -8.90277457639889 3458131 CC1=NC2=C(C(=N1)SCC3=CC=C(C=C3)F)OC4=CC=CC=C42 1 4.808 2 1 0.230384292514508 3458086 CCCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3C4CCC(C3C(=O)O)O4)C 1 3.768 2 4 -4.67404152654156 3458032 CCCCNC(=O)CN1C(=O)C2=C(N=CN2CC)N(C1=O)CC3=CC=CC=C3 1 2.22 5 3 0 -18.7692543848753 3457991 CC1=C(C=C(C=C1)F)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)N4CCN(CC4)C5=CC=CC=N5)C 1 3.28 6 3 0 -18.7059734912905 3457990 CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)N4CCN(CC4)C5=CC=CC=N5)C)F 1 3.28 6 3 0 -16.1223590652388 3457989 CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)N4CCN(CC4)C5=CC=CC=N5)C)Cl 1 3.739 6 3 0 -17.4339105373203 3457958 CCC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.931 1 3 -11.874098522841 3457957 CCC1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.931 1 3 -13.7549620605857 3457956 CC1=C(C(=CC=C1)C)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.961 1 3 -13.8541874683426 3457954 CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)OC)C#N)N)CSC3=C(C=CC(=N3)C4=CC=NC=C4)C#N 1 3.852 5 4 0 -15.4201820687662 3457945 CC(=NNC(=O)C(=O)N)C1=CC(=CC=C1)[N+](=O)[O-] 1 4.2e-002 4 4 0 -8.90901529102734 3457857 C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)NCC3=CC(=CC=C3)Cl 1 4.639 1 2 -4.81678939549046 3457853 C1C(OC2=CC=CC=C2O1)CNC3=C4C=CSC4=NC=N3 1 2.923 3 2 -1.89363529888367 3457787 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C(=O)OC 1 3.375 4 4 0 -22.2369773611095 3457783 CC1=C(SC=C1)C(=O)NC2=CC(=C(C=C2)N3CCCC3)S(=O)(=O)NC4=CC=CC=C4OC 1 4.148 3 4 0 -10.326287482108 3457781 CC1CCCCN1C2=NN=C(S2)NC(=O)NC3=CC=CC=C3C(=O)OC 1 2.23 5 3 0 -17.8299021718069 3457780 CC1CCCCN1C2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)OC 1 2.359 5 2 0 -9.65156594779464 3457778 CC1CCCCN1C2=NN=C(S2)NC(=O)NC3=C(C=CC(=C3)OC)OC 1 2.342 5 3 0 -13.3838543837813 3457757 CC1CCCCN1C2=NN=C(S2)NC(=O)NC3=CC=CC(=C3C)C 1 3.347 5 1 -9.71628468636116 3457755 CC1CCCCN1C2=NN=C(S2)NC(=O)NC3=CC(=C(C=C3)OC)OC 1 2.342 5 3 0 -14.9254238823711 3457603 C1=CC=C2C(=C1)C=CC=C2NC3=NC(=CS3)C(=O)NCC(CO)O 1 1.234 3 3 0 -3.42749113647385 3457556 CCOC1=C(C=C(C=C1)C2C(=C(NC3=NC4=CC=CC=C4N23)C)C(=O)NC)OC 1 2.793 4 3 0 -22.1661839098577 3457529 C1CS(=O)(=O)CC1NC(=O)COC(=O)CCCOC2=CC=CC=C2 1 0.657 1 6 0 -20.7876824511104 3457487 C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=CO3)C4=CC=CO4 1 3.848 2 3 -9.27573501748924 3457477 CC1=CCC(CC1=NNC(=O)CNC2=C(C=C(C=C2)C)C)C(=C)C 1 4.228 3 1 -9.53073484863388 3457423 CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SC(C)C(=O)O)SC4=C3CCCC4 1 5.434 2 3 -23.4674973762338 3457383 CCCCN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C 1 1.567 5 2 0 -8.69059090456534 3457323 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCOCC3)C(=O)NC4=CC(=C(C=C4OC)OC)Cl 1 1.89 4 6 0 -26.2957113956858 3457312 C1CN(CCN1C2=CC(=O)NN=C2C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)C(F)(F)F 1 3.042 4 2 -5.21231355941384 3457293 COC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)C=NNC(=O)CSCC3=CC=C(C=C3)Cl 1 4.351 3 4 0 -14.3370259410455 3457277 CC1=CC=C(C=C1)CNC(=O)CN2C=NC=N2 1 0.925 4 1 0 -18.2825455267968 3457276 CC(C)CC(=O)C1=CNC(=C1)C(=O)NCCCN2C=CN=C2 1 1.342 4 2 0 -5.58516581508696 3457256 CC(CN1C=C(C=N1)Cl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l)Cl)N 1 1.606 3 5 0 -13.0279363194307 3457106 CC1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)Cl 1 3.664 1 2 -3.77335480383281 3457103 CC1=CN2C(=NC(=C2CN3CCSCC3)C4=CC=CC=C4)C=C1 1 3.724 3 0 1.767725331871 3457056 CC1=CC=CC=C1C(=O)NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C 1 2.7 5 2 0 -20.3995153021187 3457014 COC1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)CCCO 1 3.48 3 3 -2.49033965388465 3456950 COCCNC1=NC(=C(C(=N1)NC2CCCCC2)[N+](=O)[O-])N 1 1.198 6 3 0 -6.61522555319415 3456946 C1=CN(C=C1)C2=C(SC=C2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 3.365 3 2 -5.55348270676556 3456907 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 1.226 2 7 0 -17.6726372988557 3456873 CCN1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC(=CC=C3)F)N)[N+](=O)[O-] 1 2.385 7 2 0 3.74695685276511 3456847 COC1=C(C=C(C=C1)CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br)OC 1 3.284 1 5 -20.6367641289595 3456811 C1=CC(=CC=C1CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br)Cl 1 3.981 1 3 -14.4036845008595 3456806 COC1=CC=CC(=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 2.972 1 4 -11.6909212015184 3456699 CC(C)N(CCC1=CC=NC=C1)C(=S)NC2=CC(=CC=C2)Cl 1 5.193 3 0 -2.8809905290779 3456697 CC1=C(C(=CC=C1)NC(=S)N(CCC2=CC=NC=C2)C(C)C)C 1 5.501 3 0 -3.75372819988475 3456636 C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=NC=C2 1 1.229 2 3 0 -12.6368701975174 3456574 CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCOC 1 1.945 3 3 0 -18.2768611889154 3456545 CC1=CC(=NC2=C(C(=NN12)N)N=NC3=CC=CC=C3)C 1 2.83 6 0 -1.44609408458942 3456531 C1=CC=C(C=C1)NC(=O)NC2=NC=C(S2)[N+](=O)[O-] 1 1.539 4 3 0 -0.703119013328344 3456529 COC1=CC=C(C=C1)C(=O)NC2CCCC3=CC=CC=C23 1 3.62 1 2 -6.15279190717117 3456506 CC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3C(=O)C)C4=CC=CS4 1 4.251 3 1 -1.56574399959879 3456454 CCN1C=NC2=C1C=CC(=C2)[N+](=O)[O-] 1 1.794 3 2 0 -2.90726932156385 3456448 CCC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)Cl)CP(=O)(OC)OC 1 5.534 2 3 -10.0053015347931 3456359 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(F)(F)F)NCC(=O)NC3=CC=C(C=C3)SC(F)F 1 4.207 3 4 0 -22.1678017034453 3456321 CC1=C(N2C=CC=CC2=C1C=NNC(=O)C3=CC=CC=C3O)C(=O)C4=CC=C(C=C4)F 1 4.661 3 3 -2.08737151310355 3456316 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC3=C(N=CC=C3)[N+](=O)[O-] 1 1.507 3 6 0 -12.7429913566785 3456290 C1C(=NN2C(=NN=C2S1)C3=CC=CO3)C4=CC=CC=C4Br 1 3.863 4 1 -0.768114997880138 3456147 CC(C)CCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.766 3 5 0 -30.6307094737437 3456146 COC(CNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCOCC3)OC 1 -0.876 3 7 0 -30.8370982977349 3456129 CC1=NC2=C(S1)C=CC3=C2SC(=N3)NC(=O)C4CC4 1 2.678 3 1 -4.39283561380675 3456065 C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=C(O3)C4=CC=C(C=C4)Cl 1 4.402 2 2 -2.20699242103845 3456010 CSC1=NCCN1C(=O)COC2=CC3=CC=CC=C3C=C2 1 3.052 2 2 -4.04324651872284 3456009 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.826 4 8 0 -27.4009715016289 3455993 CCOC1=CC2=C(C=C1)C(=O)NC(O2)(C3=CC=C(C=C3)OC)C(F)(F)F 1 3.925 1 4 -2.32568628707097 3455990 COC1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)C(=O)NN 1 1.011 4 2 0 -2.27737330377552 3455989 CC1=CC2=NC(=C(N2C=C1)C=NOCC3=CC(=CC=C3)F)C4=CC=C(C=C4)Cl 1 5.751 3 1 6.11197547340692 3455851 C1=CC=C2C(=C1)N=C(C(=N2)Cl)NS(=O)(=O)C3=CC=C(C=C3)F 1 3.4 3 2 -0.876838586944708 3455665 C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NN=CC4=CC=C(C=C4)Cl 1 5.711 2 1 -1.84966542379479 3455626 COC1=CC=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br 1 6.737 2 3 -14.8740526688111 3455624 CC1=C(C=CC(=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br)Cl 1 7.904 2 2 -13.6915804009722 3455622 CCC1=CC=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br 1 7.696 2 2 -14.8356971489426 3455600 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NCC3CCCO3)CCOC 1 0.617 3 4 0 -27.4556829526612 3455584 COC1=CC=C(C=C1)CNC2=NC=C(C=C2)[N+](=O)[O-] 1 2.016 3 3 -4.98079013237824 3455527 CC1=NC(=C(C(=C1)COC)C#N)NN=CC2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl 1 4.302 4 4 0 -1.44323927128625 3455514 COCC1=NN=C(O1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 1.752 4 5 0 -23.9911220463433 3455305 C1CCC(C1)NC(=O)C(C2=CC=C(C=C2)F)N(CC3=CC=C(C=C3)Cl)C(=O)CCl 1 4.746 2 2 -7.832368458193 3455303 C1CCC(C1)NC(=O)C(C2=CC=C(C=C2)F)N(CC3=CC=C(C=C3)F)C(=O)CCl 1 4.287 2 2 -10.0837488807004 3455301 C1CCC(C1)NC(=O)C(C2=CC=C(C=C2)F)N(CC3=CC=CC=C3Cl)C(=O)CCl 1 4.746 2 2 -8.21609214189314 3455289 CCC(C)N1C(=O)N(C(CC1(C)C)(C)O)C2=CC(=CC=C2)Cl 1 3.528 2 2 0.615473846196065 3455288 CCCN1C(=O)N(C(CC1(C)C)(C)O)C2=CC=CC(=C2)C 1 2.972 2 2 -0.579370082546832 3455178 CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CO4)Cl 1 3.994 3 4 0 -8.66686802670326 3455076 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)S(=O)(=O)C5=CC=C(C=C5)Cl)C=C1 1 2.362 4 4 0 -25.8972035391951 3455035 CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2Cl)[N+](=O)[O-] 1 3.044 3 5 0 -20.3804401239724 3454867 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)C3=CC=C(O3)Br 1 3.26 1 5 -11.5234628174551 3454803 C1C(=O)C(=C(N1C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F)N)C4=CC=CC=C4 1 4.097 3 3 -2.83590135948501 3454792 CC1=NC2=CC=CC=C2N1CCC3=NC4=C5C=CC=CC5=NC(=S)N4N3 1 3.333 6 0 -6.01131198101563 3454765 C1CN(CCC1C(=O)N)CC(COCC2=CC=CC=C2Cl)O 1 1.4 2 3 0 -4.39649177238215 3454755 COCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.845 4 4 0 -22.3321292647616 3454747 CC1=CC(=O)N(C(=O)N1)C2=CC=C(C=C2)Cl 1 1.948 2 2 0 -3.6929470360181 3454746 C1CCC(CC1)NCC(C(F)(F)F)O 1 2.139 1 1 -1.59872261222219 3454736 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3CCS(=O)(=O)C3 1 0.721 2 5 0 -18.5253473063617 3454715 CC(=NNC(=O)CNC(=O)C1=CC=CO1)C2=CC=C(C=C2)OC 1 1.102 3 4 0 -13.9234350282631 3454625 CC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N 1 2.323 4 3 0 1.84934650258182 3454595 CC1CCCCC1NC(=O)CNC(=S)N2CC3CC(C2)C4=CC=CC(=O)N4C3 1 2.309 4 2 -21.1744512038023 3454591 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5NC4=S 1 4.157 5 2 0 -5.78025132860634 3454573 CC(C1=CC=NN1)OC2=CC=C(C=C2)Cl 1 3.067 2 1 1.78624161394472 3454559 C1CN(CCN1C2=CC(=CC=C2)Cl)C(C3=CC=CS3)C4=C(N5C(=NC=N5)S4)O 1 4.771 5 1 2.88739778414475 3454549 CC1=CC(=CC(=C1)N2C(=NC3=C2C=CC(=C3)C(=O)NCC(OC)OC)C)C 1 3.507 3 3 -10.7315872255804 3454543 C1=CC=C(C(=C1)CS(=O)(=O)CCC(=O)O)Cl 1 1.757 0 4 0 -8.62247289923519 3454517 CC1=NOC2=NC=NC(=C12)N3CCCC3 1 1.349 4 1 0 -0.536616493887747 3454514 CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)Cl 1 3.28 2 1 -0.819531840212781 3454338 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 3.077 3 6 0 -24.1600004023211 3454311 CC1=CC(=C(C=C1)C)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br 1 7.726 2 2 -15.5096937335911 3454307 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3 1 1.781 3 7 0 -19.2830415232005 3454306 CN1C=CC=C1C=NNC(=O)C23CC4CC(C2)CC(C4)C3 1 3.165 3 1 -9.5654044743291 3454276 CC1=CC(=CC(=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br)C 1 7.726 2 2 -14.9896883627187 3454274 COC1=C(C=C(C=C1)Cl)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC(=C(C=C3)OC)OC 1 6.46 2 5 0 -12.6901313706216 3454270 COC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC(=C(C=C3)OC)OC 1 5.795 2 5 0 -14.047129214943 3454268 COC1=C(C=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)O)C(=S)NC3=CC=CC=C3Cl)OC 1 6.476 2 4 -12.9323992692896 3454262 CCC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC(=C(C=C3)OC)OC 1 6.754 2 4 -14.4590739685942 3454260 COC1=C(C=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)O)C(=S)NC3=CC(=CC=C3)OC)OC 1 5.795 2 5 0 -13.8302617244769 3454256 CCC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC(=C(C=C3)OC)OC 1 6.754 2 4 -15.0533652142396 3454146 CC(C1=NN=C(N1C)SCC(=O)NC2=NC=CS2)NC(=O)C3=CC=CC=C3F 1 1.791 6 2 0 -22.5877262884491 3454048 COC(=O)C1=CC=C(C=C1)NC(C2=CC=C(C=C2)Cl)P(=O)(OC)OC 1 3.255 1 5 -6.88323252816049 3454012 CC1CCC2=C(C1)SC(=C2C(=O)N)N=CC3=CN=CC=C3 1 2.699 3 1 -4.69867820933764 3453986 CN1C2=CC=CC=C2SC1=NC(=O)COC3=CC=CC=C3 1 3.648 2 2 -4.86038307957238 3453974 CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F 1 3.421 1 4 -12.6203601453113 3453921 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=NN2C)C 1 1 4 2 0 -8.54932362205253 3453919 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CN(N=C3C)C 1 3.097 5 0 -3.44002869127471 3453887 CC(=O)OCC1C(C(C(C(O1)C2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C 1 0.954 0 9 0 -17.266312137404 3453737 CC(C)(C)NC(=O)CCCSC1=NC2=CC=CC=C2S1 1 3.557 2 1 -14.6036642249749 3453722 CCOC(=O)C(CCCCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C)(C(=O)OCC)NC(=O)C 1 1.88 2 10 0 -8.61561503163941 3453716 COC1=CC=CC(=C1OC)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CN=CC=C3 1 1.678 3 5 0 -1.64967681226788 3453654 C1C(ON=C1C(=O)N=CNO)CNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.544 5 3 0 1.57726476557008 3453637 CC1=CC=C(C=C1)C(=O)ON=CC2=C(N(N=C2C(F)(F)F)C)SC3=CC=C(C=C3)Cl 1 6.558 3 2 7.1210575283565 3453634 C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])F 1 2.257 5 3 0 -11.6306666942302 3453633 CC1=C(C(=O)NN1S(=O)(=O)C2=C(C=C(C=C2)OC)[N+](=O)[O-])CCO 1 1.9e-002 3 7 0 -8.43521422451584 3453578 CC1CCN(CC1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=CC=CC=N5)C 1 1.457 6 4 0 -25.0226812209833 3453546 CCC1=C(C2=C(C=C(C=C2)OC3CCCCC3=O)OC1=O)C 1 4.117 0 4 -8.62828344188314 3453507 CCNC(=S)NCC1=CC2=C(C=C1)NC(=C2)C 1 3.029 3 0 -6.50295035718815 3453492 CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)C(C)C(=O)NCCC(C)C 1 2.736 4 2 -16.7671570469948 3453487 CCCNC(=O)C(C)N1C2=CC=CC=C2C3=NC(=O)C=C(N31)C 1 2.028 4 2 -14.8883570364506 3453284 C1=CC2=C(C=C1Br)C3C(C(SC4=C3SC(=O)N4)C(=O)O)C(=O)O2 1 2.654 1 5 -4.05338256474141 3453266 CCC(C1=CC=CC=C1)C(=O)OCC(=O)N2C(CCCC2C)C 1 3.576 1 3 -12.65271466163 3453240 CC(C)CN(CC(C)C)C(=O)CC(=O)NC(=O)C1=CC=C(C=C1)Cl 1 3.464 2 3 -9.96962785189516 3453237 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CC=C3)C4=CC=CO4 1 2.192 8 3 0 -23.9147189225929 3453217 C1C=CC2C1C(NC3=C2C(=C(C=C3O)Cl)[N+](=O)[O-])C(=O)O 1 2.314 2 5 0 0.996295853713281 3453215 C1=CC(=CN=C1)C=NNC2=C3C=CC(=CC3=NC=C2)Cl 1 3.148 4 0 2.54868859231371 3453201 CC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)[N+](=O)[O-] 1 0.839 2 7 0 -22.9130138924018 3453109 C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NN=C(S3)C4CC4 1 3.081 5 3 0 -8.49777785520122 3453057 C1COCCN1CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)F 1 3.932 3 3 -4.97788500174517 3453049 CCC(C)C(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)N 1 3.15 3 3 -17.3457031088742 3453044 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)COC4=CC=C(C=C4)Br 1 4.312 3 4 0 -16.876553550076 3452964 COCCNS(=O)(=O)C1=CC=CC2=C1N=CC=C2 1 0.796 2 3 0 -12.2514711469287 3452814 COC(C1=CC=CC=C1)C(=O)NC2CC2 1 1.318 1 2 0 -19.6756695000995 3452773 CC1=CC(=C2CCCC(=NNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])C2=C1)C 1 3.782 4 4 0 -11.5458773110605 3452695 C1=CC(=C(C=C1[N+](=O)[O-])C(=O)OCC(=O)N)NCCO 1 -0.297 3 6 0 -9.38338481035257 3452686 CC(C)CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)OC)O 1 4.196 1 4 -7.39713115067155 3452632 CC(C)N(C)C1CCN(CC1)C(=S)NC2=CC(=CC=C2)SC 1 4.427 3 0 -8.69176233822018 3452571 CCOC1=CC=C(C=C1)NS(=O)(=O)CC23CCC(C2(C)C)CC3=O 1 2.416 1 4 6.37255530440361 3452516 CC1=C2CC(OC2=C(C=C1)NC(=O)CN3CCCC3)(C)C 1 2.544 2 2 -9.98901356992231 3452491 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC=CC=C3OC 1 3.213 3 3 -7.7876900501011 3452486 CC1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43 1 4.186 3 2 -2.88041300857242 3452407 CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-] 1 3.102 3 5 0 -8.03630808862746 3452399 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC#N 1 1.3 3 5 0 -20.3277257611348 3452385 CN(C)C(=O)C(=O)C1=CC=CN1C2=CC=CC=C2C#N 1 2.176 3 2 -4.91758022953827 3452384 C1C(CN1C2=C(C=CC=N2)[N+](=O)[O-])C(=O)O 1 0.734 3 4 0 -5.69361208405364 3452382 C1C2C1C(N(C2)C(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)O 1 2.461 1 3 -2.26861668579713 3452374 C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)CC(=O)O 1 1.323 3 2 0 -5.18817356560832 3452248 C1=CC(=CC(=C1)Cl)C(=O)NCCOC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 4.443 2 3 -5.53184248906341 3452243 CN1C=CC=C1C=NNC(=O)C2COC3=CC=CC=C3O2 1 2.047 3 3 -6.48863118088626 3452234 CC(=O)C1C(C(=C(CC1(C)O)NC2=CC=CC=C2)C(=O)C)C3=CC=CC=C3 1 2.486 1 3 -11.2283942105271 3452184 C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N(C(=O)N3)CC(=O)NCC(F)(F)F 1 1.446 4 3 0 -14.6031124348693 3452176 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CN=C(C=C3)Cl 1 1.621 4 4 0 -21.1231720390609 3452136 CC1=C(C(=NN1C)C(=O)N(C)C23CC4CC(C2)CC(C4)C3)Br 1 3.359 3 1 -0.792243418918754 3452092 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)NC4=C3CCCC4 1 4.112 3 3 -11.7434637499694 3452081 CN1CCN(CC1)CC(COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)O 1 0.203 3 5 0 -17.4435665382232 3452017 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 1.974 3 4 0 -15.0438696410195 3451996 CC(C)N1C(CCC1=O)C(=O)N2CCC3(CC2)OCCO3 1 2.7e-002 2 4 0 -14.2428401146835 3451697 CC1=CC2=CC=CC=C2N1CCNC(=O)CC3=CC=CC4=CC=CC=C43 1 4.274 2 1 -13.1769390558952 3451647 CNC(=O)C1=CC=C(S1)C2=CC=C(C=C2)F 1 3.006 1 1 -4.41842715582926 3451644 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)NNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.637 6 5 0 -15.3922777608187 3451614 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NCCCO)[N+](=O)[O-] 1 1.93 4 4 0 -5.52210983348789 3451503 COC1=C(C=C(C=C1)Br)C(=O)NN=CC2=CN=CC=C2 1 2.264 3 2 -4.13954258638784 3451494 CCOC1=C(C=C(C=C1)Br)C(=O)NN=CC2=CN=CC=C2 1 2.613 3 2 -4.52024079806539 3451456 CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4C=CN=C4C 1 5.025 5 0 -7.83066123415616 3451388 CCOC(=O)C1=C2N(C(=C(C1C3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4)N)C(=O)C(=CC5=CN=CC=C5)S2 1 2.198 4 5 0 -18.690866517913 3451338 C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC(=O)N 1 1.216 1 6 0 -7.51385789535311 3451317 CN1C=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 0.236 5 3 0 -25.3614674439411 3451289 CCNC(=O)C12CCC(C1(C)C)(C(=O)C2Br)C 1 2.049 1 2 -8.63470958172363 3451233 COC1=CC(=CC(=C1)C2=NN=C(O2)NC(=O)C3=CC4=C(C=C3)OCCO4)OC 1 2.208 3 6 0 -8.31829799489809 3451186 CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.592 2 4 -14.7604729629028 3451084 CC1=CC(=C(C=C1)N=C(C2=NON=C2N)NOCC3=C(C=C(C=C3)Cl)Cl)C 1 4.631 5 2 0 1.08272529286052 3451060 C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.007 3 3 -4.67910593396233 3450986 CCOC(=O)C1=C2C3=C(CC(N2C(=O)C1(CC=C)O)(C)C)C4=CC=CC=C4C=C3 1 3.176 1 4 -7.99408972507538 3450961 C1CS(=O)(=O)CC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4Cl 1 3.045 3 4 0 -28.4768995748028 3450959 CCN1CNC(=NC1)NS(=O)(=O)C2=CC=C(C=C2)C 1 1.538 4 2 0 -7.98578153408097 3450942 CC1=C(C(=NN1)C)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)OC 1 0.86 3 5 0 -11.4685538190115 3450936 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C=CC=C3 1 3.984 2 1 -6.80596950394094 3450934 CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)N3C=CC=C3)C 1 4.498 2 1 -4.86522361535099 3450921 CC1=CC(=C(C(=C1)C)NC(=O)CC2=CC=C(C=C2)N3C=CC=C3)C 1 4.984 2 1 -5.70157515969456 3450912 CC1=CC=CC2=C1NC(=O)C=C2Cl 1 2.107 1 1 -4.36745421834826 3450869 CCNC(=S)N(CCC1=CC=C(C=C1)S(=O)(=O)N)C2CC(=O)N(C2=O)C3=CC=CC=C3 1 2.848 4 4 0 -14.5658319665629 3450715 CNC1=C(C=NN1C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] 1 3.212 4 2 -2.66164494587385 3450662 CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3=NNC(=O)CC3 1 2.127 3 4 0 -26.8026801473208 3450649 CC1=CC=C(C=C1)C(=O)N2CCN=C2SC 1 2.794 2 1 -6.5248906165294 3450634 CCCCN(C1CCS(=O)(=O)C1)C(=O)NCCCCCCNC(=O)N(CCCC)C2CCS(=O)(=O)C2 1 2.197 4 6 0 -18.0880100959377 3450605 CCOC(=O)C1=C2C(=C(S1)C)C(=O)NC(N2)C3=CC=C(C=C3)N(C)C 1 2.913 3 3 -9.23179194400918 3450603 C1=CC=C(C(=C1)C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)Br)F 1 2.973 3 2 -7.10141698591478 3450586 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)NC(=O)C3=CC4=CC=CC=C4OC3=O 1 3.099 2 7 0 -17.5955420984505 3450400 COC1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43 1 2.171 3 4 0 -10.8180878250489 3450311 C1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=CC=C3)N=O 1 2.198 3 2 -2.41516061500201 3450295 COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3C4CCC(C3C(=O)O)O4 1 2.761 1 6 0 -15.9155092615405 3450266 C1=CC(=CC=C1C2=CC=C(O2)C=NNC3=CC=C(C=C3)C(=O)O)S(=O)(=O)N 1 2.988 3 5 0 -3.50182135173162 3450258 CC1CCCCN1C(=S)SCC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N 1 4.278 6 1 0 -9.49593755047498 3450226 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCOC4=O)Cl 1 4.184 2 4 -12.0004869430063 3450208 CC1=C(SN=N1)C(=O)NN=CC2=CC=CC=C2 1 1.802 4 1 0 -11.6807370889586 3450156 CN(C)C(C1=CC=CC=C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl 1 4.004 2 1 -5.97377983090476 3450154 CC1=C(SC(=N1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3F)C(=O)C 1 1.696 3 4 0 -16.3787058149863 3450094 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCCN4CCOCC4)OC 1 1.826 4 5 0 -12.0055846374463 3450066 CCC(C)C1=C(N=C(NC1=O)SCC(=O)N2CCCCCC2)O 1 3.143 3 3 -18.2542210368113 3450065 CCC(C)C1=C(N=C(NC1=O)SCC(=O)N2CCCCC2)O 1 2.687 3 3 -18.2542210368113 3450010 CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NC3CC3)N4CCN(CC4)C 1 3.713 5 0 -4.26217101517391 3449960 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(N=CC=C2)Cl)F 1 2.25 2 3 -9.52322283492213 3449941 COC1=CC=C(C=C1)NC(=O)COC(=O)C23CCC(=O)N2C4=CC=CC=C4S3 1 2.231 2 5 0 -6.6080094986492 3449839 COC1=C(C(=C(C=C1)C=NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3)OC)OC 1 2.853 4 4 0 -2.10250379457292 3449872 CCCOCC1CC(C(=O)O1)CCC2=NC(=S)NN2 1 1.58 3 3 0 -3.94279845561693 3449871 CC1=NC2=C(C=C(C=C2)Br)C3=C1CC(O3)CBr 1 3.943 1 1 3.62138371624607 3449857 CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CNCC2=CC=CC=C2 1 4.067 2 2 -7.18341188029557 3449798 COC(=O)C1=C(N(N=C1)C(=O)C2=CC=CC=C2Br)N 1 1.91 3 3 0 -7.77640850072238 3449788 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4 1 3.495 5 3 0 -4.82521748556786 3449698 CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3)C(=O)N1 1 2.237 3 2 -12.1118169787955 3449649 CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=S)N2 1 3.991 2 1 -24.4482822620423 3449609 CCC1=CC=C(C=C1)C(C)NC(=O)CC2=CC=C(C=C2)F 1 4.181 1 1 -7.4879715170113 3449593 CC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C(=O)[O-])C5=CC=C(C=C5)C 1 7.763 1 2 -2.64490016372647 3449568 CCC(=O)NC1=C(C(=C(S1)C(=O)N2CCCCC2)C)C(=O)OCC 1 2.716 2 4 -18.4714983067514 3449510 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 4.014 2 7 0 -14.5658902260317 3449415 C1COCCN1CCCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S 1 2.695 3 2 -4.14579473279875 3449233 C1=CC=C(C=C1)CC(CC(=O)O)(C2=CC=CC=C2)C(=O)O 1 3.04 0 4 -3.99184860290192 3449225 CC1=CC(=CC=C1)NC2=NC3=CC=CC=C3N4C2=NC5=C(C4C6=CC(=C(C=C6)O)O)C(=NN5C7=CC=CC=C7)C 1 5.932 6 2 0 1.1743074333017 3449212 CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)CC2CCCC2 1 1.673 2 6 0 -18.5870515344853 3449199 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 1.508 5 4 0 -32.187213594904 3449125 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=COCCO4 1 1.062 4 6 0 -12.9425334490692 3449056 CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)Cl)C#N)N)CSC3=NC4=C(CN(CC4)C)C=C3C#N 1 4.027 5 3 0 -17.9134025381411 3449007 CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 2.414 3 4 0 -17.5919432416081 3449003 CC1=C(N(C(=C1C#N)NC(=O)C2=CC(=CC=C2)Cl)CC3=CC=CC=C3)C 1 4.797 3 1 -8.20197778002678 3448973 C1=CC(=CC(=C1)Cl)C(=O)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 4.881 3 1 4.06579251331496e-002 3448938 CC1=CC2=C(C(C(=C(O2)N)C#N)CCC3CCCCC3)C(=O)O1 1 3.118 2 3 -12.4950167386137 3448870 CC(=O)C(=NNC1=CC=CC=C1[N+](=O)[O-])N2CCCC3=CC=CC=C32 1 3.317 4 3 0 -7.62417745564453 3448857 CC1=C(SC=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C4=CC=CC=C4 1 3.27 9 2 0 -22.4283142201807 3448846 CC1=C(C=CC(=N1)NC(=S)NC(=O)C2=CC=CS2)Br 1 3.666 3 1 -7.33325704675065 3448825 C1=CC2=NN=C(N2C=C1)SCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 3.042 5 1 -11.39648821737 3448789 CCOC(CNC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC(=C(C=C3)F)F)OCC 1 3.382 3 3 -5.47309989847253 3448788 COC(CNC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC(=C(C=C3)F)F)OC 1 2.685 3 3 -7.85060168172678 3448710 COC1=CC=C(C=C1)OCC(=O)NC(CC(=O)O)C2=CC(=C(C=C2)OC)OC 1 2.166 1 7 0 -14.8583341901434 3448705 COC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)CC2=CC=CC=C2)OC 1 2.382 1 5 -15.3669331941389 3448631 CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3)C(=O)OCC 1 1.057 1 8 0 -4.77808681892001 3448581 C1CCC(C1)NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.031 2 5 0 -12.2455680233753 3448551 COC(=O)C1=C(NN=C1)NC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 4.119 4 2 -6.29964242594008 3448473 C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)N 1 1.692 2 2 0 -7.51396910497011 3448460 CC1=CC(=C(C=C1)C)N2C(=NN=C2SC(C)C(=O)OC)CC3=CC(=O)NC(=O)N3 1 2.571 5 4 0 -20.4707421829897 3448370 C1CN(CC2=CC=CC=C21)C(=O)CC3=CC=CC=C3[N+](=O)[O-] 1 2.831 2 3 -15.3444323413319 3448346 CSC1=NCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.886 3 3 0 -20.5964357781757 3448335 C1=CC=C(C(=C1)CN2C(=O)C(SC2=O)CC(=O)NC3=NC=CS3)Cl 1 2.516 3 3 -9.34777367645773 3448294 C1=CC=C2C(=C1)C=C(C(=N2)SCC3=CC=C(C=C3)Cl)C=O 1 5.104 1 1 -0.49259003713906 3448293 CC1(C2NC(=S)N(N2C(=S)N1)C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 5.789 4 0 -0.362276187492818 3448285 CC(=O)C1=CC=C(C=C1)OC2C(OCCO2)OC3=CC=C(C=C3)C(=O)C 1 2.881 0 6 -8.96323935091286 3448281 CCCCCCCCNC1=CC(=O)CC(C1)(C)C 1 4.002 1 1 -16.5503828873355 3467300 C1CC(CCC1CNS(=O)(=O)C2=CC=C(C=C2)F)C(=O)N3CCOCC3 1 1.792 2 4 0 -15.3433860549852 3467288 CC1=CC(=C(C(=C1)C)NC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-])C 1 4.813 4 4 0 -4.41502690097576 3467285 CC(C)N1C(C(SC1=S)(C)C)N2C(=O)N(C(=O)O2)C3=CC(=CC=C3)Cl 1 5.409 3 3 -3.21680100502581 3448230 CC(=NNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2)C3=CC=C(C=C3)OC 1 2.921 3 4 0 -10.2520198382302 3448185 COC1=CC(=C(C=C1)OC)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCOCC3 1 1.528 6 5 0 -3.15578415629289 3467191 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=S)NCCCOC 1 2.958 3 4 0 -16.3154441591666 3448161 C1CCN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl 1 1.35 3 3 0 -15.9208382117189 3448160 C1CCN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCN3CCOCC3 1 -1.071 4 4 0 -17.9690291459407 3448158 C1CCN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F 1 0.891 3 3 0 -13.8453217557702 3448045 C1CC1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.213 3 2 -9.86967845242308 3447933 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NNCC(=O)NC3=C(C=CC(=C3)F)F 1 1.803 4 4 0 -16.8335301885143 3447876 C1C(CN(C1=O)CC(=O)NC2=CC=CC=C2)C3=CC=CC=C3 1 1.822 2 2 0 -9.21424491206136 3447813 CC(=O)NC1=NC(=CS1)CC(=O)C2=CC=CC=C2 1 1.815 2 2 0 -5.88283642080146 3447783 CC(=NNC(=O)C(=O)NCCO)CC(=O)NC1=CC(=C(C=C1OC)Cl)OC 1 -0.263 4 6 0 -18.3626185705242 3447737 C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCOCC3)[N+](=O)[O-] 1 0.383 3 7 0 -14.7160983399175 3447676 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=CS3)O 1 2.42 2 2 -7.01796857794119 3447664 CCOC(CNC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC(=CC=C3)F)OCC 1 3.177 3 3 -3.86009912862494 3447443 CC1=C(C2=CC=CC=C2N1)CCN(CC3=CC=CO3)C(=S)NC4=CC=C(C=C4)OC 1 6.14 3 2 -8.15859097059004 3447407 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-] 1 1.676 4 4 0 -17.0675651436398 3447354 C1CN(CCN1CCC(=O)NNC(=O)C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4 1 2.999 4 2 -2.94540689581911 3447334 CC(=NNC(=O)C1=CC=C(C=C1)Cl)C2=CC=CS2 1 3.281 2 1 -7.55386519592543 3467018 CC1=CC(=O)OC(=C1C(=O)NC2=CC(=CC=C2)F)C 1 2.234 1 3 -5.79418995177435 3466953 CC(=O)C(=NOCC1=CC=C(C=C1)F)C(=O)NC2=CC=CC=C2OC 1 2.581 2 4 -4.00032241838848 3447241 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5 1 3.02 5 3 0 -18.9833425019718 3447219 COC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CC=C(C=C5)F)C(=O)C2 1 4.216 2 5 0 -35.19857271867 3447109 CC1CCN(CC1)C(=O)C(CC(C)C)NS(=O)(=O)C2=CC=C(C=C2)C 1 3.377 2 3 -21.5050729150991 3447070 CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)Br)C3=CC=CO3 1 4.167 0 4 -8.32024690550938 3446855 COC1=CC=CC=C1NC(=S)N2CCCC3=CC=CC=C32 1 5.234 2 1 -11.4331629391982 3446849 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC(=O)CCCO 1 2.393 3 2 0.181021798818506 3446812 CCOC1=CC(=C(C=C1)NN=C(C(=O)OC)C(=O)OC)[N+](=O)[O-] 1 1.984 3 7 0 -4.86882134315593 3466712 CC1=CC(=CC=C1)CCNC(=O)C2=CC(=CC=C2)N3CCCC3=O 1 3.01 2 2 -17.3553099587024 3466680 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C 1 6.065 4 3 0 -22.5955174929881 3466603 C1CN(CCN1CC(C2=CC=C(C=C2)[N+](=O)[O-])O)C3=CC=CC=C3 1 2.916 3 3 1.23398727799371 3466578 CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC(C)C)NC(=O)C3C4CCC(C3C(=O)O)O4)C 1 3.342 1 6 0 -10.146157207875 3466575 CC1=CC(=NC(=N1)N2CC3=CC=CC=C3C2=N)C 1 1.936 4 0 0 -3.78364378412019 3466563 C1CC(=C(C1)NNC(=O)C2=CC=CC=C2O)C(=O)C(F)(F)F 1 2.235 2 3 -3.68030213412318 3466417 COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(S2)CS(=O)C3 1 1.826 1 3 0 -9.26604502689819 3466413 CC1=CC=C(C=C1)CN2C3=C(C=C2C(=O)O)SC=C3 1 4.273 1 2 -4.03773090723668 3466312 CC1C(N2C(C(C1=O)C)C34C=CC(O3)C(C4C2=O)C(=O)OC)C5=CC=CO5 1 0.798 1 6 0 -2.17790913654067 3466269 CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC=[N+]3[O-] 1 3.596 2 3 -6.44574260834081 3446647 COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC(=C(C=C2OC)OC)OC)OC 1 2.567 1 8 0 -19.256437524267 3446542 COC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CSC=C4 1 3.3 4 2 -9.07312411036771 3446454 CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)C(=O)OCC 1 2.621 4 5 0 -18.4179984696145 3466213 C1=CC(=C(N=C1)[N+](=O)[O-])OCC(=O)NCCC2=CC=C(C=C2)Cl 1 2.725 3 4 0 -8.6341852170008 3466211 CCC(C(=O)O)N=C1C=C(OC2=C1C=C(C=C2)C)C3=CC=C(C=C3)OC 1 4.356 1 4 0.33346433109066 3466207 CC1=CC2=C(C=C1)OC(=CC2=NC(CC(C)C)C(=O)O)C3=CC=C(C=C3)OC 1 5.064 1 4 -0.826008670282645 3466193 COC1=CC=C(C=C1)CCN2C(=O)CC(C2=O)NNC(=O)C3=CC=CC=C3Br 1 2.302 3 4 0 -8.61972342808721 3466164 CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)CC2=CC=CC=C2)OC 1 2.73 1 5 -16.8705422913674 3466143 C1=CC(=CC=C1C(=O)NCCCCCCNC(=O)C2=CC=C(C=C2)N)N 1 1.956 4 2 0 -8.16557293547405 3466138 CCOC1=C(C=C(C=C1)C(CCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3F)OCC 1 5.881 1 3 -12.7283600431166 3466092 CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)CCCCl)OC 1 3.887 3 3 -19.6714652631279 3466064 C1C2C1C(N(C2)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)O 1 1.584 1 4 0 -10.3181282881586 3466025 CC1CC(CN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC)C 1 4.916 2 2 -8.60986669794259 3466003 CC1=CC=CN2C1=NC3=C(C2=O)C=C(S3)C(=O)NCC(C)C 1 2.261 3 2 -18.9809552904606 3465979 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)C4=CN(N=C4C5=CC=C(C=C5)OC)C6=CC=CC=C6 1 5.225 4 2 9.6951868295673 3465911 C1=CC=C2C(=C1)N=C(N2OCC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl 1 4.096 2 1 6.34844428605914 3465910 C1CN(CCC1C(=O)NNC(=O)C2=CC(=CC=C2)Cl)CC3=CC=CC=C3 1 3.081 3 2 0.825815070252026 3446422 COC1=CC=C(C=C1)SC2=C(C(=NN2C3=CC=CC=C3)C(=O)OC)C=NO 1 4.393 3 4 0 2.56145107021546 3446421 CN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC=CC=C3)Cl 1 5.011 2 0 4.26869385375905 3446418 CC1CN(CC(O1)C)C2=CC(=NC3=NC(=CN23)C4=CC=CC=C4)C 1 3.559 4 1 -2.46981411809189 3446365 CC1CCCC(C1C)NC(=O)CN2C(=O)COC3=CC=CC=C32 1 2.315 2 3 -10.609056859553 3446305 CC(C(=O)NCC1CCC(CC1)C(=O)O)OC2=CC3=C(C=C2)C4=C(CCCC4)C(=O)O3 1 4.234 1 6 0 -24.6354096767668 3446135 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CNC(=O)C=C3 1 -1.068 3 7 0 -28.4859332612577 3445987 CC1CCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.589 2 6 0 -28.2155821514678 3445998 CCNC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)C)[N+](=O)[O-] 1 3.011 4 3 0 -10.3770990219962 3445624 CCC1(C(=NC(=S)N1C2=CC=C(C=C2)NC(=O)C)NC3=C(C=CC=C3C)C)C 1 5.39 4 1 -7.37910063202453 3445623 COC(=O)C1=C(SC2=C1CCC2)NC(=O)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.186 2 8 0 -37.2725815803304 3445365 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=COCCO3 1 0.756 2 7 0 -25.2208213504672 3445354 CC1=CC(=C(C=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC=CO4)C 1 2.738 3 3 -5.24398404021954 3444947 CC(C)CN1C2=C(C(=O)NC1=O)C(C(=O)N2)(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.098 4 5 0 -7.71209030965854 3444815 CCOC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)NC(=O)C 1 4.857 2 3 -10.560507045619 3444709 CC1=C(C=C(C=C1)NC(=O)CNC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C)F 1 1.762 4 3 0 -19.7436186849104 3444699 C1CC(CCC1CNS(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)F 1 3.481 2 3 -15.8044704819908 3444694 CC1CC(CN(C1)C(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3)C 1 3.454 2 3 -17.2260261916502 3444648 C1CCN(CC1)C(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3 1 2.815 2 3 -15.382976269911 3444647 CCC(C)NC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC=C2 1 2.942 2 3 -19.2116574953986 3444644 CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3CCC(CC3)CNS(=O)(=O)C4=CC=CC=C4 1 3.439 2 5 0 -17.1653255761464 3444613 CC1=NC=C(C2=C1OC(=NC3=CC(=C(C=C3)OC)OC)C(=C2)C(=O)NC4=CC=CC=C4OC)CO 1 2.96 3 6 0 -8.7375123680759 3444611 CC1=NC=C(C2=C1OC(=NC3=CC=CC=C3)C(=C2)C(=O)NC4=CC=CC=C4OC)CO 1 2.992 3 4 0 -6.35571361043257 3444608 CC1=NC=C(C2=C1OC(=NC3=CC=CC(=C3)C(=O)N)C(=C2)C(=O)NC4=CC=CC=C4OC)CO 1 1.995 4 5 0 -8.73445240396013 3444546 C1CN(CCC1C(=O)N)C(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 1.106 3 3 0 -7.9182016187206 3444527 CCOC1=C(C2=CC=CC=C2C=C1)C3C(=C(N(C(=O)N3)C)C)C(=O)OCCOC 1 2.38 2 5 0 -18.3504240573972 3444380 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 1.488 3 4 0 -13.622007372253 3444162 CSCCC(C(=O)OCC(=O)C1=CC=C(C=C1)Cl)NC(=O)C23CC4CC(C2)CC(C4)C3 1 4.368 1 4 -18.3498353549315 3443768 CC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)NCCN3CCOCC3)C4=CC=C(C=C4)OC 1 4.175 3 3 -7.25644327024687 3443761 CC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)NCCCN3CCOCC3)C4=CC=C(C=C4)OC 1 4.237 3 3 -7.44923070876235 3443634 CN1CCN(CC1)C(=O)CCC(=O)NCC2=CC=C(C=C2)F 1 0.749 3 2 0 -14.2486992785 3443463 CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCNC(=O)C 1 3.498 3 2 -23.3749000472096 3443362 C1CSC2=NC=C(C(=O)N21)C(=O)NCC3=CC=CC=C3Cl 1 1.895 3 2 0 -16.3281514782615 3443349 C1COCCOCCOCCOCCN1C(=O)CCCC(=O)O 1 -0.824 1 7 0 -15.5158550140355 3443318 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC(=C(C=C4)OC)OC 1 4.934 4 5 0 -7.16371237139151 3443317 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)Cl)OC3=NC=C(C=C3)[N+](=O)[O-] 1 4.174 4 5 0 -8.35008364791569 3443305 CC1=CC=C(C=C1)CN2C(=C(C=C2C(=O)OC)C(=O)OC)C 1 3.346 1 4 -6.48705008418912 3443278 CC1=CC=C(C=C1)CNC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C 1 2.678 2 4 -8.89850853027707 3443268 C1=CC=C2C(=C1)C3=NC(C(=O)N3C(=N2)SCC(=O)NCC4=CC=CO4)CCC(=O)NCC5=CC=CO5 1 2.322 5 5 0 -28.8637212065637 3443169 CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CO3)S2)CCOC 1 3.281 2 5 0 -12.4807777497008 3443093 CC1=C(C=NN1C)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N 1 2.297 6 3 0 -19.5688458578225 3443092 CC1=CC=CC(=C1)C(=O)N2C(OC(=O)C3=CC=CC=C32)C4=CC5=C(C=C4)OCO5 1 4.532 1 5 -5.21499568610999 3443035 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3CC4CC3C=C4 1 2.505 2 5 0 -16.7213751658426 3442980 C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)NC2=CC3=C(C=C2)C=NN3 1 2.903 3 2 1.83678862834617 3442936 CN1C=CN=C1C(=O)C2=CC(=C(C=C2)NN)[N+](=O)[O-] 1 0.904 5 3 0 -5.57974417046512 3442888 CC1CCCN(C1)C(=O)C2=CC3=C(S2)N=C4C(=CC=CN4C3=O)C 1 2.512 3 2 -17.7904003535787 3442864 CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-] 1 3.31 5 4 0 -10.0275880455443 3442855 CCN(CC)CCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)NC(=O)C 1 3.777 3 2 -7.71864271774627 3442851 CC(C)(CNC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O)O 1 2.005 2 4 -12.7126850891924 3442840 COC1=CC(=CC2=C(N3C(=NC2=O)SC(=N3)CC(=O)N4CCOCC4)N)C=C(C1=O)OC 1 -0.173 5 6 0 -15.0624873240378 3442820 CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)NC(=O)C 1 4.857 2 3 -8.67521576667838 3442808 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC2=NS(=O)(=O)C3=CC=CC=C32 1 0.276 4 5 0 -12.3034444997546 3442790 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C(=O)C2=CC=CC=C2 1 2.674 1 5 -10.8215261886347 3442697 C=CCNC(=O)COC(=O)C1=C2CCCC2=NC3=CC=CC=C31 1 2.612 2 3 -13.5035347146478 3442589 C=CCNC(=S)NN=C1CCCCCCC1 1 3.485 3 0 -14.8830308238541 3442539 C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NC3=CC=CC=C3N 1 2.28 4 2 -13.325683162821 3442504 CC(C)NOC(=O)C1=CC=C(C=C1)Cl 1 2.397 1 2 -2.64118488423782 3442498 CC1=NN=C(S1)NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-] 1 1.025 5 3 0 -18.3333642507756 3442459 C1=CC=C(C(=C1)C(=O)O)NCC2=CN=CC=C2 1 1.701 2 2 0 -4.06768308586696 3442425 CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N2CCC3(CC2)OCCO3)[N+](=O)[O-] 1 1.8 2 7 0 -18.6489868425961 3442352 CC1=CC2=C(C=C1)NC(=C2CCN(CC3=CC=CO3)C(=S)NC)C 1 4.788 3 1 -7.01430522317017 3442347 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(O3)CNC(=O)C4=C(C=CC=C4Cl)F 1 2.546 4 5 0 -24.9274407574404 3442315 CC(=NNC(=S)NCCOC)C1=CC(=CC=C1)C(F)(F)F 1 3.023 3 1 -8.57675533238969 3442276 CC1CCCCN1C(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)NC(=O)C3=CC=CS3 1 2.951 2 6 0 -19.1736060252153 3442254 CC(=NNC(=O)CN1C=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)N3CCOCC3 1 2.386 5 2 0 -11.1499847488587 3442215 CN(C)C(=NS(=O)(=O)C1=CC=C(C=C1)F)C2=CC=CC=C2 1 2.861 2 2 -5.63869309825599 3442201 CC(=NNC(=O)C1=CC=C(O1)COC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C 1 3.488 3 4 0 -12.5643597517475 3442155 CCC(C(=O)OC)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)Cl 1 2.963 4 3 0 -8.14567789871958 3442072 CCN1CCN(CC1)C(=O)C2(CC2(Br)Br)C 1 1.72 2 1 0 -2.43657614628904 3442070 CC1=NN=C(S1)NC(=O)C2(CC2(Br)Br)C 1 1.52 3 1 0 -9.92532132685806 3442010 CC(C)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCOCC4 1 3.707 3 3 -11.3385484520786 3441910 CN(C)C(CNC(=O)C1=NC2=CC=CC=C2C=C1)C3=CC=CC=C3 1 3.403 3 1 -8.93869029568786 3441827 COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=O)C3=CC4=CC=CC=C4O3 1 2.887 2 5 0 -8.06694575152413 3441788 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)CC(C)C 1 3.442 2 2 -18.9663286326854 3441783 CCSC1=NN=C(S1)NC(=O)CSC2=NN3CCCC(=O)N=C3S2 1 2.665 6 2 0 -24.4850058667726 3441691 CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C 1 0.216 3 4 0 -12.1633237606942 3441675 CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N 1 3.124 6 2 0 -0.659455840640074 3441571 CN=C1N(C(=O)C(S1)CC(=O)NC2=CC=CC=C2F)C 1 1.737 3 2 0 -10.5386139858523 3441516 CCC1=CC=C(C=C1)NC(=O)C(C)N2C(=C(C(=N2)C)[N+](=O)[O-])C 1 2.865 4 3 0 -6.99618382788771 3441234 C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NC3=CC=C(C=C3)F 1 3.232 3 2 -9.84298990798714 3441201 CCOC1=CC=C(C=C1)N(CC(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C)S(=O)(=O)C3=CC=CC=C3 1 2.661 4 5 0 -18.5591359458787 3441164 C1CC(OC1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 2.379 3 2 -12.6524816062677 3441161 CCN1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=C(C=CC(=C3)Cl)C 1 5.471 4 1 -6.6651749383388 3441150 COC1=CC=CC=C1C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)NC3=C(N=CC=C3)Cl)C(F)(F)F 1 4.328 4 4 0 -13.3510985898592 3441072 C1CN=C(N1)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 1.185 4 3 0 -15.8381540245331 3440997 CC(=O)NC1=NON=C1C(=NC(=O)C)NOCC2=CC=C(C=C2)Br 1 1.152 5 4 0 -4.71963754603714 3440881 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC=CC=C3)N 1 3.87 3 2 -3.90733563431136 3440760 C1CCC(CC1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3 1 2.287 3 3 -7.58764544186126 3440754 C1OC2=C(O1)C=C(C(=C2)C=NNC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-] 1 2.741 3 6 0 -5.20135726139025 3440658 COC1=C(C=C(C=C1)CCNC(=O)CSCC2=CC=C(C=C2)F)OC 1 3.515 1 3 -16.2995063616964 3440655 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSCC3=CC=C(C=C3)F 1 3.684 2 1 -6.35088336603325 3440625 CC1=C(C=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)N4CCCCC4 1 2.908 2 5 0 -14.3485711269427 3440534 CCCCCC=NNC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] 1 2.876 3 3 -8.52162223538033 3440527 CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1CC4=CC=CC=C4 1 5.759 4 2 -17.4777421242492 3440416 CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NC2=CC=CC=C2N3CCOCC3 1 3.337 3 3 -19.5482433736623 3440390 CCCC1CCC2=C(C1)SC(=C2C#N)NC(=O)OCC 1 4.155 2 2 -18.4380683624589 3440389 CC1(CC1(Br)Br)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.691 2 3 0 -4.15255641639756 3440378 CCCN(CC1=CC2=C(C=CC(=C2)C)NC1=O)C(=O)C3=CC=CC=N3 1 2.846 3 2 -13.4617843561349 3440362 CC1(CC1(Br)Br)C(=O)NC2=NN=CS2 1 1.259 3 1 0 -6.95309844443363 3440329 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(N=C(C=C3)C)[N+](=O)[O-])C 1 2.201 4 6 0 -18.328550406381 3440250 CC(C(C1=CC=CS1)N2CCCC2)NC(=O)COC3=CC=CC=C3 1 3.309 2 2 -6.95689487194144 3440235 CCN(CC)C(CC=C)C#CC1=CC=C(C=C1)C 1 4.644 1 0 0.471291742710887 3440213 CC1=CC=CC(=C1)C(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N 1 4.619 3 1 -10.6853369442473 3440183 CC1(C(=O)C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)O 1 2.147 1 3 -0.416138428155364 3440182 C1CCC(=O)C(C1)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.815 1 3 0.101268849692757 3440161 CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=C(N=CC=C2)Cl 1 2.718 3 3 -5.74434967344512 3440155 CC1CC2=CC=CC=C2N1C(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4 1 3.294 2 3 -16.8424646371752 3440133 CC1=C(N(C(=C1C#N)NC(=O)C(C)C)CC2=CC=CC=C2)C 1 3.597 3 1 -13.2530058869045 3440123 C1COCCN1C(CNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CS4 1 3.89 2 3 -12.7869832625556 3440122 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=NC3=CC=CC=C3N2 1 2.453 4 3 0 -9.10410831125511 3440035 CCCC(C)NC(=O)COC1=CC=C(C=C1)SC2=CC=C(C=C2)OCC(=O)NC(C)CCC 1 5.447 2 4 -10.7417764612817 3440020 C1=CC=C(C=C1)CNC(=O)NC(=O)COC2=NC=NC3=C(C=C(C=C32)Cl)Cl 1 3.663 4 3 0 -3.42159304016622 3439962 C1C=CCC(C1C(=O)NNC(=O)C2=CC=CS2)C(=O)O 1 1.027 2 4 0 -9.55416795277267 3439814 CC1CN2C(=NN=C2S1)C3=CC(=CC=C3)Cl 1 3.268 3 0 2.30344908287007 3439803 CN1C2=C(C=C3C(=C2)NC=N3)N(C1=O)C 1 0.62 4 1 0 -8.11429577901754 3439757 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC=C(S3)C 1 1.291 3 3 0 -14.0965541518284 3439709 C1CC2C(C(C1O2)C(=O)NC3=CN(N=C3)CC4=CC=CC=C4)C(=O)O 1 1.057 3 4 0 -8.30118797436481 3439688 CC1(CC2=C(C(C(=C(O2)N)[N+](=O)[O-])C3=CC(=CC=C3)OC)C(=O)C1)C 1 2.129 2 5 0 -14.1681758642936 3439663 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CN4C(=C(C(=N4)C)[N+](=O)[O-])C 1 2.53 7 4 0 -13.2877892577552 3439626 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=C(C=C3)F)C(=O)C4=CC5=CC=CC=C5OC4=O 1 3.967 2 4 -21.756861546683 3439584 C1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CO4 1 2.605 8 3 0 -24.3784581377318 3439528 C1=CC(=CC=C1C(=O)NC2=NC(=NC=C2)C3=CC=NC=C3)F 1 2.05 4 1 -0.831308886958718 3439457 CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C)Br)OCC=C 1 3.21 4 2 -15.1796186038464 3439360 CN(C(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)OC)C(=O)C3=CNC(=O)C=C3 1 1.389 3 4 0 -13.821420306815 3439321 CC1(CN(N(C1=O)C(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C 1 3.852 2 2 -0.702716328710726 3439320 C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NC3=C(SC=C3)C(=O)O 1 3.758 1 4 -7.21447835966462 3439283 C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3 1 4.495 0 4 -11.3554035218471 3439126 CC1=CC(=CC(=C1)NC(=S)NCC2=CC=CN2C)C 1 4.445 3 0 -9.72259511680779 3439102 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.434 1 6 0 -16.7156238460524 3439064 CCCCNS(=O)(=O)C1CCS(=O)(=O)C1 1 0 1 4 0 -15.4163266828936 3439020 CC(=NNC(=O)COC1=CC=C(C=C1)OC)C2=CC=C(C=C2)N3C=CN=C3 1 2.152 4 3 0 -7.30717764217138 3438930 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CNCC3=CC=CC=N3 1 1.767 4 3 0 -17.5137842857747 3438929 CC(=NNC(=O)C)C1=C(C=C(C=C1)Br)Br 1 2.496 2 1 -0.883157529878838 3438892 CC(C)C(=NNC1=NC(=O)C(S1)CC(=O)NCC2=CC=CC=C2)C 1 2.414 4 2 -18.6802171742149 3438874 CC(C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F)N(C)C 1 3.554 6 3 0 -18.9180512365859 3438869 CC(C)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.037 4 4 0 -34.7297711011013 3438856 CC1=NC(=C(O1)NN=CC2=CC(=CC=C2)Cl)C#N 1 2.703 4 1 -2.68068997931824 3438838 CC1=CC=CC=C1C(=O)NCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.962 3 3 0 -14.5269267337603 3438703 CC(=NNC(=O)CN1CCN(CC1)CC2=CC=CC=C2Cl)C3=CC=NC=C3 1 2.06 5 1 -4.91345666936801 3438673 CCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C(NC(C3)(C)C)(C)C)C(=O)OC 1 3.657 2 4 -22.3258155458666 3438568 COC1=C(C=C(C=C1)C=NNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4)O 1 2.482 5 6 0 -17.2287054340091 3438532 C1CCC(CC1)(C(=O)NC2CCCC2)NC(=O)CC3=CC=CS3 1 3.416 2 2 -16.8752632387676 3438503 CCOC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C(NC2=O)CCSC)OCC 1 1.486 3 5 0 -21.1810679492336 3438479 CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.009 4 5 0 -17.0756120884152 3438312 CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3OC 1 3.643 3 3 -17.9832636928063 3438303 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)CN4N=C(N=N4)C5=CC=CC=C5F 1 2.8 6 1 0 -0.974260181899012 3438280 CN(C)C(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-] 1 2.116 2 5 0 -1.75281763623905 3438279 CC(C1=CC=CC=C1)N2C(=O)OC(C2(C)O)(C)C 1 2.184 1 3 -3.53234698727376 3438153 C1C(C(=O)N(C1=O)C2=C(C=CC=C2Cl)Cl)N(CCC3=CC=CC=C3)C(=S)NC4=C(C=CC(=C4)Cl)Cl 1 8.306 3 2 -7.6547775451564 3438105 CN(C)C(=O)N(CCCN1CCOCC1)CC2=CC=CC3=CC=CC=C32 1 2.162 3 2 -0.268376105321996 3438091 CN1CCN(CC1)C(=S)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 2.122 4 2 -15.612862026938 3438088 C=CCOC1=CC=C(C=C1)C2C3(C(=N)OC4(O2)CCCCC4C3(C#N)C#N)C#N 1 2.718 4 3 0 -6.77074635096161 3438085 C1CCN(CC1)CC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O 1 3.756 2 2 -2.4692250746263 3438072 C1C(=O)NC2=C(C=C(C=C2)F)C(N1C(=O)C3=CC=C(O3)Br)C4=CC=CC=C4 1 3.414 2 3 -19.2538802933735 3438065 C1CC1C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC(=CC=C4)Cl 1 2.225 3 3 -1.39211864316572 3438030 CNC(=S)NNC(=O)C1=CC=CC=C1F 1 1.625 3 1 0 -11.3652753714057 3438028 CCC1=C(NC(=O)N1)C(C)S(=O)(=O)C2=CC=C(C=C2)C 1 1.831 2 3 0 -8.89131855570203 3438027 C1C2CSC3=C(C2C4=CC=CC=C4O1)SC(=O)N3CC(=O)NC5=CC=C(C=C5)Cl 1 3.944 2 3 -5.46591675591518 3438022 C1CN(CC2=CC=CC=C21)C(C3=CC=CC=C3)C4=C(N5C(=NC=N5)S4)O 1 4.182 4 1 -8.12736971412163 3437919 CC1=CC=C(S1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(CC(CC3=O)(C)C)O 1 3.1 0 4 2.47240019886444 3437911 CC1=NN=C(S1)NC(=O)CC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.239 4 3 0 -19.1978878197743 3437887 CCC(C1=CC=CC=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.601 2 3 -14.9964195879524 3437866 COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NC4CCS(=O)(=O)C4 1 2.656 4 6 0 -22.2047093792474 3437864 COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 2.756 5 4 0 -27.30971417139 3437722 CC1=CC(=CC=C1)NC(=S)NC2=CC3=C(C=C2)C=NN3 1 4.496 4 0 -2.42312532352324 3437571 CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C(C)C)C(C)(C)C 1 3.817 2 4 -11.8186997733145 3437595 CCCCOC(=O)CSC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CN=CC=C3)C#N 1 4.073 3 4 0 -27.2768464538472 3437523 COCCNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)F)[N+](=O)[O-])N 1 1.122 6 3 0 -0.894963722075713 3437476 CCCN1C(=O)NN=C1SCC(=O)NC2CCCC3=CC=CC=C23 1 3.148 4 2 -19.4220218821156 3437395 CC(C)OP(=O)(C(C1=CC2=C(C=C1)OCO2)NC3=CC=CC=C3)OC(C)C 1 3.956 1 5 -7.44512038264881 3437380 C1CN(CC1C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)F 1 4.334 2 0 8.91888182280707 3437360 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)N 1 2.173 7 3 0 -18.7679184173585 3437333 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC(=O)N3CCN(CC3)C4=CC=CC=C4OC)C 1 1.313 5 4 0 -21.3685145933705 3437288 CC(C1CC(=O)N(C1=O)C2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3 1 3.16 1 4 -4.35022140268659 3437278 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C 1 2.796 2 4 -5.86827085629684 3437231 CC(C1=CC=CO1)N(C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)F 1 3.664 2 2 -6.0622526569278 3437213 COC1=CC=CC(=C1OC)C2C3CC=CC3C4=CC(=CC(=C4N2)F)Br 1 4.914 1 2 3.72787650444824 3437168 CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 1 2.492 2 4 -16.3665950581183 3437128 CC1=NN=C(N(C1=O)N)SCC2=CC(=CC=C2)Cl 1 2.307 4 1 -8.69407811602491 3437027 CCN(CC)C(=O)C1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC=CC=C3 1 3.458 5 4 0 -12.4667476536069 3436968 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCC3=C(C=C(C=C3)Cl)Cl 1 5.382 1 4 -14.0949187079671 3436932 CCCCC(C)N1C2=C(C(=CC(=N2)C)C)C(=O)N1 1 3.332 3 1 -5.07404227209101 3436919 C1=CC=C(C=C1)N2C(C(=O)N(C2=S)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)Br 1 6.311 2 2 -10.2566539016822 3436736 COC1=C(C=C(C=C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.107 2 5 0 -22.6711406519494 3436675 CC1CC(=NNC(=S)NCCOC)CC(C1)(C)C 1 2.535 3 1 -17.5475925710592 3436668 CN1C=C(C2=CC=CC=C21)SCC(=O)N3CCOCC3 1 1.824 2 2 0 -10.5807269860697 3436636 CC1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C)C4=CC=C(C=C4)C(=O)OC 1 3.545 3 3 -8.0945101321586 3436588 CC1=C(C2=CC=CC=C2N1)CC3=NN=C(O3)SCC=C 1 3.303 3 1 -11.328624684111 3436585 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CCOCC2)C3=CC=C(C=C3)OC 1 2.944 1 5 -14.0195303453147 3436561 CCS(=O)(=O)N(CC(=O)NC1=CC=CC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 2.824 2 4 -13.8980739664004 3436530 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3Cl 1 2.55 2 2 -4.35608797623581 3436420 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)COC 1 1.221 4 5 0 -15.8001677844585 3436419 CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4CC4 1 2.484 4 4 0 -16.5439543543449 3436415 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC(=O)N(C)CC3=CC=CC=C3)C 1 1.283 4 3 0 -24.6524772659223 3436414 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC(=O)N(C)C3CCCCC3)C 1 1.558 4 3 0 -24.0962106627068 3436407 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC(=O)NC3=CC(=C(C=C3)OC)OC)C 1 1.038 4 5 0 -26.6288481655997 3436376 CC(C)(C)C1=CC=C(C=C1)OCC(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 1 3.31 1 4 -13.5691051247355 3436360 C1=CC=C2C(=C1)C(C(=O)N2)C(=O)C(=O)NCC3=CN=CC=C3 1 0.312 3 3 0 -14.5518356068238 3436326 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)C(C)C 1 2.65 2 3 -11.1174594179944 3436283 CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-] 1 2.403 4 7 0 -14.5011333442246 3436226 C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=CC6=CC=CC=C65)Br 1 5.492 3 1 -3.36848750656253 3436013 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35 1 3.279 5 2 0 -17.9604220882289 3436012 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCCOC(C)C)C(=O)NC4CCCC4)C=C1 1 1.76 5 3 0 -23.1360432652105 3435984 CS(=O)(=O)N(CC(=O)NN=CC1=CC=C(C=C1)OCC(=O)N2CCOCC2)C3=CC=CC=C3Cl 1 1.253 4 6 0 -22.7002121768963 3435952 C1CC(OC1)C(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)Cl 1 3.752 3 2 -23.5304419329227 3435934 CC1=CC(=CC=C1)NC(=NC(=O)C)NC2=NC(=CC(=N2)C)C 1 2.361 5 1 -3.63008203371486 3435923 COC1=CC=C(C=C1)NC(=O)C(=O)NN=CC2=CC(=C(C=C2)OCC3=CC=C(O3)C(=O)OC)OC 1 2.812 3 8 0 -15.8385757223904 3435922 CC1=CC=C(C=C1)N(CC(=O)NN=C2CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)C 1 2.696 4 3 0 -13.4216760857091 3435816 C1COCCN1CCNC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N 1 0.88 7 3 0 -4.62691365821346 3435810 C1=CC=C(C(=C1)C(=O)NNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-] 1 1.363 4 7 0 -16.7361507357966 3435776 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCCN2C(=O)C3=C4C(=C(C=C3)N5CCOCC5)C=CC=C4C2=O 1 2.939 3 7 0 -16.6133236471243 3435722 COC1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=CC=C3)CCN4CCOCC4 1 2.918 4 4 0 -11.557273381408 3435709 CC1CCCC2(C1)NC(=S)N(N2)CCC(C)C 1 3.441 3 0 -4.67034494200863 3435683 CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4F)SC2=S)C 1 6.651 3 3 -13.4892079095411 3435520 CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NCC4=CC=CO4)C5=CC=CC=N5 1 3.849 5 2 0 -11.9920044213427 3435491 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 1 2.265 2 5 0 -21.1050933439519 3435484 C1COCCN1CC(CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42)O 1 2.475 2 3 -2.72472945774628 3435469 CC1CC2=CC=CC=C2N1C(=O)CSC3=CC=CC=C3 1 3.666 1 1 -7.68623286844381 3435433 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCN3CCCC(C3)C 1 3.978 3 3 -5.35550724144581 3435432 CP(=O)(OC12CC3CC(C1)CC(C3)C2)OC45CC6CC(C4)CC(C6)C5 1 3.781 0 3 0.181291055151224 3435415 COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC=C(C=C4)Cl)CCN5CCOCC5)O 1 3.455 2 6 0 -15.2678922094841 3435304 CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)NCC3=CC=CO3 1 2.982 2 4 -11.1053779704354 3435197 CCC(C)NC1=NC(=C(C(=N1)NCCO)[N+](=O)[O-])N 1 0.181 6 3 0 -4.82120686345451 3435146 CN1C=C(C=C1C(=O)NN=C(COC2=CC=CC=C2)N)C(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.085 4 3 0 -0.642059340921701 3435145 C1=CC(=CC(=C1)OCC2=C(C=CC=C2Cl)F)C3=NC(=NC=C3)N 1 4.209 3 1 2.05796695354442 3435091 CC(C)C12CCC(O1)(C(C2)OC(=O)NC3=CC(=CC=C3)Cl)C 1 3.808 1 3 -0.846152564972734 3435090 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)N(C)C)C3=CC=CC=C3 1 2.81 3 3 -24.7461541804779 3435083 C1=CC=C(C=C1)C(=O)CC(=O)NC2=C(N=CC=C2)Cl 1 2.258 2 2 -3.61946236992915 3435082 C1=CC=C(C=C1)C(=O)CC(=O)NC2=CC=CC=C2C(F)(F)F 1 3.477 1 2 -3.83535707020405 3435052 CSC1=NSC(=N1)SCC(=O)NC2=CC=CC=C2C(=O)O 1 2.57 3 3 -13.6103542159366 3435035 CC1CCCCN1CCCNC(=O)CN2C3=CC=CC=C3C4=NC(=O)C=C(N42)C 1 2.167 5 2 0 -15.8075486838938 3434960 C1=CC=C(C=C1)NC(=S)NC(CCC(=O)O)C(=O)O 1 2.18 2 4 -17.5583280841016 3434958 CCCCC(=O)C1=C(CC(CC1=O)(C)C)NC2=CC=CC=C2OC 1 3.957 1 3 -12.9479003078468 3434869 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 3.457 5 3 0 -26.6526434430837 3434844 COC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4F 1 4.342 3 3 -1.50777500928772 3434681 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.842 3 5 0 -12.7130108592042 3434680 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Br 1 3.601 2 3 -12.8421036581923 3434622 CC(C)CC(C(=O)NC1=CC(=C(C=C1)Cl)Cl)NC(=O)N 1 2.844 3 2 -12.1252650352858 3434620 CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-] 1 5.685 3 5 0 -9.24932639187741 3434588 CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-] 1 0.541 3 6 0 -16.2532315800154 3434575 C1=CC=C2C(=C1)N=C3C(=N2)N(C(=N3)C4=CC=CS4)C5=CC=C(C=C5)Cl 1 5.529 4 0 -0.32012085477149 3434568 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)NC3CCCCC3 1 3.319 1 3 -8.72246823108624 3434496 CC1CN=C(S1)NC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 1.725 3 2 0 -13.6391347396418 3434495 C1=CC(=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)N)Cl)Cl 1 2.899 2 2 2.23847813111086 3434388 CCN1C(=C(C=N1)C=NN=C2CCC3C2(CCC4C3CCC5=C4C=CC(=C5)O)C)C 1 4.988 4 1 -6.27855503065808 3434376 CCOC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SC)C4=CC=CC=C4)SC2=S 1 6.325 3 2 -7.10417180264585 3434340 C1=CC=C(C=C1)C2C(O2)(C3=CC=CC=C3)C(=O)N 1 2.017 1 2 -1.32281999598588 3434161 COC1=CC=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)CCCl 1 2.583 3 2 -4.43382656307385 3434020 COC1=CC=C(C=C1)NCC(=O)NN=C2CCC3=CC=CC=C32 1 2.633 3 2 -10.3209147767578 3434067 CN1C2=CC=CC=C2SC1=NC(=O)C3=NNC(=O)CC3 1 1.504 4 2 0 -19.8037710030342 3433998 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCN3C=CN=C3 1 2.36 3 1 -2.5242995378812 3433876 CC(C)SC1=NN=C(N1C2CCCCC2)CNC(=O)C34CC5CC(C3)CC(C5)C4 1 4.943 4 1 -16.0441845145254 3433873 CCCSC1=NN=C(N1C2CCCCC2)CNC(=O)C34CC5CC(C3)CC(C5)C4 1 5.09 4 1 -18.540090446261 3433872 CCSC1=NN=C(N1C2CCCCC2)CNC(=O)C34CC5CC(C3)CC(C5)C4 1 4.566 4 1 -17.5040009734466 3433687 C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)CC3=CC(=O)NN3 1 0.743 4 2 0 -5.66880898813849 3433656 C1COC(=CO1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N 1 -0.141 3 5 0 -9.22787789048382 3433652 CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC=CO2 1 2.254 2 4 -5.5498662690862 3433631 CC1(C(=O)N(C(=O)N1)CC(=O)NC2CCCCC2)C3=C(C=C(C=C3)Cl)Cl 1 3.323 3 3 -7.38164157847431 3433616 C1=CC(=CC=C1C2C(C(=S)NC(=C2C#N)N)C(=O)N)[N+](=O)[O-] 1 0.569 5 3 0 -11.8659443431556 3433548 CC(C)NC(=S)NN=C(C)C1=CC=C(C=C1)C(C)(C)C 1 4.338 3 0 -8.94939192946431 3433546 CC(C(=O)NC1CCCC2=CC=CC=C12)N3C(=O)C4CCCCC4C3=O 1 3.022 2 3 -11.7095518174413 3433420 CCC1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NN=C3CCCCCC3 1 4.094 4 2 -13.2404752467469 3433401 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=NC(=NO3)C4=CC=C(C=C4)F 1 3.28 3 3 -4.11232908745895 3433398 CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C23CC4CC(C2)CC(C4)(C3)O 1 2.471 1 5 -10.005947783062 3433386 C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.81 4 3 0 -12.7056188763296 3433313 CC1=NN(C(=O)N1C2=CC=CC=C2F)CC3CC3 1 2.223 3 1 -3.2071484228191 3433290 C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCC4=CC=CC=C4 1 3.379 1 3 -12.0149771703648 3433218 CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NCCC4=CCCCC4 1 2.999 4 2 -15.4033132393435 3433166 CCC1(C(OC(=O)C(C1=O)(C)C)C2=CN(C3=CC=CC=C32)C(=O)C)CC 1 4.433 1 4 -1.83275488149143 3433160 C1CCC(C1)NC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3Cl 1 3.694 1 4 -7.48198931323086 3432975 CC1=CC(=CC(=C1)NC(=S)N(CCOC)C(C)C2=CC=CO2)C 1 5.139 2 2 -9.54532637150785 3432973 CC1=C(C=C(C=C1)NC(=S)N(CCOC)C(C)C2=CC=CO2)C 1 5.139 2 2 -9.40447718731789 3432964 C1=CC=C2C(=C1)C3=NC(C(=O)N3C(=N2)SCC(=O)NCC4=CC=CO4)CC(=O)NCC5=CC=CO5 1 2 5 5 0 -27.7142821261586 3432952 CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC(=CC=C3)OC)C(=O)CCC2 1 1.231 4 2 0 -18.7127734068189 3432930 C1=CC=C(C(=C1)[N+](=O)[O-])OC2=CC=CC=C2Cl 1 3.949 1 3 -1.63492895175563 3432928 CC1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC=CO2 1 1.562 2 3 0 -12.9765992170332 3432927 C1=COC(=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)Br 1 1.818 2 3 0 -10.1336816575453 3432926 C1=COC(=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)Cl 1 1.734 2 3 0 -8.67702191244383 3432916 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NN=CC3=CC(=CC=C3)F 1 3.5 5 0 3.69896407135776 3432825 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC 1 2.717 8 4 0 -31.778601188629 3432786 C1=CSC(=C1)CNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO 1 1.232 3 6 0 -16.7569690776466 3432756 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3C)C)C)C 1 3.424 3 2 -16.3416906120657 3432739 CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)C(C)COC)C)[N+](=O)[O-] 1 2.472 3 5 0 -9.2204291427456 3432723 CN(C)C(CNC(=O)C1=CC(=C(N=C1)Cl)Cl)C2=CC=CC=C2 1 3.176 3 1 -5.6054646859468 3432701 CC(C)CCC(CCC(C)C)(C(=O)NN(C1=CC=CC=C1)C(=O)OC)O 1 4.468 2 4 -20.8741707397923 3432685 C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)NC(=O)C3=CC(=CC=C3)Cl)NCC(=O)NN 1 3.539 4 2 -5.90782266640074 3432678 CC1=C(C2=CC=CC=C2N1C)C=NNC(=O)C(C(C)C)NC(=O)C3=CC4=C(C=C3)OCO4 1 3.483 4 4 0 -19.3123019700834 3432676 C1=CC(=C(C=C1C(=O)NN2C=NN=C2)Cl)Cl 1 1.562 4 1 0 -4.59238827824717 3432434 CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])Cl)C3=C(C=CC=C3Cl)Cl 1 5.212 2 5 0 -5.95682652700277 3432423 COC1=CC=C(C=C1)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC=CC=N3 1 1.496 2 5 0 -2.08466808249406 3432411 CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])N 1 2.83 6 2 0 2.33983582760091 3432341 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)NC3=CN=CC=C3 1 1.887 2 3 0 -5.77323472321467 3432334 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CCC3CCCC3 1 3.797 2 5 0 -17.7371088727658 3432332 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=NC=CC=N3 1 2.265 4 4 0 -14.0969899810597 3432319 CC(C(=O)NC1C2N(C1=O)C(=C(CS2)CSC3=NN=NN3C)C(=O)O)N4C=C(C=N4)Cl 1 0.272 8 4 0 -23.6558226561581 3432300 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)NC3=NC=CS3 1 2.035 2 3 -5.98764241070799 3432298 CC1(CCC(=O)N1CCC2=CC=CC=C2)C(=O)NCC3=CN=CC=C3 1 1.679 3 2 0 -8.99887467165426 3432274 CC(C)C1(CCOC(C1)(C)C)CCNCC2=CC=C(C=C2)OC(C)C 1 4.382 1 2 -5.12114840707685 3432247 C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4 1 2.796 4 2 -3.59452196734608 3432151 CC1=C(C(NC(=S)N1)C2=C(C(=CC=C2)OC)OC)C(=O)C3=CC=CC=C3 1 3.869 2 3 -25.1539067619234 3432147 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CN=C(C=N2)C)S(=O)(=O)N3CCCCC3 1 1.252 4 5 0 -25.8560315192391 3432107 CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC 1 1.956 3 5 0 -15.6167339211888 3432108 CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCC3=CC=C(C=C3)F 1 2.217 3 2 -13.9029310481177 3432055 CC(C(F)(F)F)(C(F)(F)F)NC(=O)NN1C=NN=C1 1 0.813 5 1 0 -8.89088342196946 3432019 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CC3CC4CCC3C4 1 2.282 3 4 0 -13.8273993645219 3432018 C1CCC(C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br 1 3.499 1 1 -7.91975901655084 3432014 CCOC(=O)NN=CC1=CC=C(S1)[N+](=O)[O-] 1 1.983 3 4 0 -2.20465239637606 3432011 CCC(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3NC2=S 1 4.948 2 1 -4.7143701033495 3432003 CC1=CC=CC=C1NN=C(C2=CC=CC=C2)N=NC3=NC(=O)C=C(N3)C 1 5.013 6 1 0 -9.42572038644424 3431972 CC1=C(C=CC(=C1)OCC(=O)N(CC2=CC=CO2)C3CCS(=O)(=O)C3)Cl 1 2.502 1 5 -15.2533490321224 3431873 C1=CC=C(C=C1)CNC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl 1 5.329 2 1 -2.35290530636009 3431872 C1CN(CCN1C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4 1 3.465 3 3 -23.5667865975042 3431773 CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 3.433 4 3 0 -17.7759781222511 3431772 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 3.96 4 4 0 -15.4457008646294 3431642 C1=CC=C2C(=C1)C=C(C(=N)O2)C3=NC(=CS3)C4=CC=C(C=C4)Cl 1 4.906 2 1 9.84940456745109 3431639 CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCNC(=O)C 1 2.551 4 3 0 -23.3242318016923 3431638 CC1=CC(=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCNC(=O)C)C 1 3.984 3 2 -21.6118655336793 3431586 CCN(CC)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3CCCC3 1 3.588 4 2 -15.9422394127114 3431552 CCC1=CC=C(C=C1)NC(=O)C2C(=C(C(=NC3=CC=CC=C3)S2)C(=O)NCCN4CCOCC4)N 1 2.295 5 3 0 -6.20753502948326 3431447 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3 1 1.213 2 7 0 -23.3280317421877 3431377 CN(C)CCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC(=CC(=C4)Cl)Cl)C(=O)NC5CCCCC5 1 2.629 4 4 0 -1.25607251757307 3431370 C1CC(C2=CC=CC=C2C1)NC(=O)CN3CCC(CC3)C(=O)N 1 1.453 3 2 0 -6.82898477489797 3431367 CC1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NN=C3CCCC4=CC=CC=C43 1 4.219 4 2 -12.9395378721906 3431321 CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CSC4=NC5=C(C=CC(=C5)Cl)C(=O)N4CCOC 1 4.706 4 3 0 -25.620366786562 3431317 CC(=NNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])C2=CC3=CC=CC=C3O2 1 2.856 3 5 0 -2.86827885385109 3431315 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F 1 4.006 3 5 0 -16.8778037837284 3431204 CC1=CC=C(O1)CN(CCO)CC2=CC=C(O2)C 1 1.602 1 3 0 4.72456662533611 3431194 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)S(=O)(=O)NC3=CN=CC=C3 1 2.924 3 3 -13.1012097934388 3431168 CC1=CC(=CC=C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3 1 3.525 2 3 -7.1369910727703 3431014 CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)CC1=CC=CC=C1)OCC 1 2.881 1 4 -12.5556576279383 3430996 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(O2)C3=NNC4=CC=CC=C43 1 3.407 5 2 0 -12.6410244759493 3430960 CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=NC=C2 1 4.878 1 2 -6.95507027279157 3430878 CC1CCCC(C1C)NC(=O)CNC(=S)N2CC3CC(C2)C4=CC=CC(=O)N4C3 1 2.561 4 2 -19.0473129220211 3430876 CC1(CC2=C(CS1)C=C3C4=C(C(=NC=N4)N5CCOCC5)SC3=N2)C 1 2.706 4 1 -10.111223462976 3430875 CCN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)NC3=CC=C(C=C3)F 1 2.167 3 3 -6.74457136985011 3430873 CC(C)CCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3NC2=S 1 4.514 3 2 -14.7862247605435 3430781 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CO4 1 2.544 4 5 0 -10.1470437896558 3430773 C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] 1 3.896 4 4 0 -7.79694502802762 3430753 CSCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)Cl 1 1.995 1 3 0 -17.0830690592221 3430748 COC1C(CC2CN3CCC4=C(C3CC2C1CO)NC5=C4C=CC(=C5)OC)O 1 1.801 2 4 0 -2.16469436827584 3430741 CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NC3=NN=C(S3)C)C 1 2.926 5 1 -14.8819559570804 3430687 CN1CCN2C(C1)C3(CC4=CC=CC=C42)C(=O)N(C(=O)N(C3=O)C)C 1 1.148 4 3 0 -5.21475199642125 3430647 CCCC(C)NC(=O)CSC1=NC(=CN1N)C2=CC=CC=C2 1 3.021 4 1 -13.5121208345982 3430508 C1CCC(C1)(C2=CC=C(C=C2)F)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.757 1 5 -10.7232430447462 3430491 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 3.199 3 6 0 -9.9697028020539 3430352 CCC(C(=O)NCC1=CC=CO1)SC2=C(C=CC=N2)C(=O)OCC 1 2.797 2 4 -20.0122021693193 3430334 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 0.848 2 7 0 -16.0604538214839 3430314 CC1(CC2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl)C(=O)C1)C 1 4.185 1 2 -19.0171375405665 3430275 CN1C(=C(SC1=S)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)N 1 3.739 3 1 -2.03256862896379 3430262 CCCCN1C(=NNC1=S)C2=CSC3=C2CCC(C3)C 1 4.727 3 0 -8.35985596615275 3430261 CC1=C(SC=C1)C2=NNC(=S)N2C3CCCCC3 1 4.399 3 0 -8.5191022507406 3430107 COCCCNC(=S)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.278 3 1 -18.9536341171208 3429921 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC3=NN=C(CS3)C4=C(C=CC(=C4)F)F 1 2.939 4 3 0 -17.1131973371299 3429899 CC(=O)N1C=C(C2=CC=CC=C21)C=NNC(=S)N 1 2.083 4 1 0.368825491868309 3429885 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=CC=C2OC)C 1 2.373 2 4 -13.0425685933124 3429861 CC(=O)C1=CC=C(C=C1)NN=C(C2=NC(CC3=CC=CC=C32)(C)C)C(=O)N 1 3.111 4 2 -6.50782357172715 3429837 C1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=S)NC3=CC=CC=C3Cl 1 5.944 3 0 -9.49033079752615 3429812 CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)NN=C3CC4C3C=CC4)Br 1 5.4 2 2 -1.58604729438823 3429810 C1=CC=C2C(=C1)NC(=N2)CCCNC(=O)C3=CC=C(C=C3)F 1 3.105 3 1 -8.09440896872319 3429794 C1CC(=O)NC1C(=O)OCC(=O)C2=CC=CC=C2 1 0.727 1 4 0 -15.5481329559693 3429680 C1CS(=O)(=O)C2=C(C1=NNC3=NC=C(C=C3)C(F)(F)F)C=C(C=C2)F 1 2.788 3 2 3.38688278085901 3429613 COC1=CC=C(C=C1)CNC(=O)CCSCC2=CC(=CC=C2)F 1 3.459 1 2 -13.0521396021025 3429612 CC1=CC=C(C=C1)CNC(=O)CCSCC2=CC(=CC=C2)F 1 3.961 1 1 -12.6391733929584 3429565 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)N5C(=O)CCC5=O 1 4.802 2 5 0 -13.6271132131626 3429521 CC1=CC=CC=C1S(=O)(=O)NC2=NCCCCC2 1 2.439 2 2 -9.14162208663952 3429510 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3C(=O)CCC3=O)C4=CC5=CC=CC=C5C=C4 1 2.743 3 4 0 -7.67207018760974 3429442 CC1(CC2=C(C(C(=C3N2C4=CC=CC=C4C(=N3)N)C#N)C5=CC=C(C=C5)Cl)C(=O)C1)C 1 4.64 4 1 -17.3348592936259 3429382 CC1(CC2=C(C(C(=C3N2C4=CC=CC=C4C(=N3)N)C#N)C5=CC(=CC=C5)Cl)C(=O)C1)C 1 4.64 4 1 -18.7077561843235 3429381 CC1(CC2=C(C(C(=C3N2C4=CC=CC=C4C(=N3)N)C#N)C5=CC=CC=C5Cl)C(=O)C1)C 1 4.64 4 1 -19.3273946549875 3429320 CC(C)(C)C1=C(C(C(=C(O1)N)C#N)C2=CC=NC=C2)C#N 1 1.604 4 1 0 -4.14228475351848 3429304 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CC(=C(C=C3)OC)OC 1 3.137 2 5 0 -23.9950161211595 3429077 CC1=C(C=CC(=C1)OC2=NC(=CC(=N2)OC)OC)N 1 2.917 3 3 -2.42014561782378 3429073 C1CN(CCN1CC(=O)O)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 -0.609 3 2 0 -0.10776081061577 3429051 CC(C)N1C(CCC1=O)C(=O)N2CCC(CC2)CC3=CC=CC=C3 1 2.619 2 2 -7.95618244409497 3429046 CC(C)N1C(CCC1=O)C(=O)NCC2=CC=CC=C2OC 1 1.323 2 3 0 -15.2498699235658 3429042 CC(C)N1C(CCC1=O)C(=O)NCCC2=CC=C(C=C2)Cl 1 2.325 2 2 -11.1579004684677 3428968 COC1=C(C=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl)F 1 3.065 2 3 -2.2555409445893 3428898 CCN1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=CC=C3F)N)[N+](=O)[O-] 1 2.385 7 2 0 0.835060322210863 3428809 CC1=NN=C2C1C(C(C(C2)(C)O)C(=O)C)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.039 3 4 0 -8.42325090704491 3428783 COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4F)OC 1 4.632 3 2 0.973647377764981 3428750 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 2.86 4 5 0 -16.1170563772844 3428733 CC1=CC(=C(N1C(C)COC)C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 1.908 3 5 0 -12.7735476300809 3428654 COC1=CC=C(C=C1)CNC(=O)C2=CSC(=N2)CC3=CC=CC=C3 1 3.449 2 2 -10.6550346574737 3428586 C1C(=O)NC(S1)C2=CC=CO2 1 0.857 1 2 0 -11.1866291599709 3428342 CC1=NN2C(=C(SC2=N1)C(C3=CC(=CC=C3)OC)N4CCN(CC4)C5=CC=CC=C5F)O 1 4.298 5 2 0 1.04583982105445 3428335 CCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5 1 2.104 7 4 0 -13.3382939838108 3428272 C1C(=NN(C1(C(F)F)O)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C(F)F 1 4.014 3 2 -2.18081878765076 3428243 CC1CCCC(N1C(=O)CSC2=NC(=O)C3=CC=CC=C3N2)C 1 2.968 3 2 -15.7153743372846 3428208 CC(=NNC1=NC(=NC(=N1)N2CCOCC2)N3CCCCC3)C4=CC=CS4 1 2.113 7 1 0 -7.25224401173009 3428054 CN1C=C(C=C(C1C2=CC=CC=C2OC)[N+](=O)[O-])[N+](=O)[O-] 1 1.621 3 5 0 -3.99663796496833 3427994 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 2.768 2 7 0 -25.3940325984926 3427828 COC1=C(C=C(C=C1)Cl)NC(=O)NC2=NC=CN=C2 1 1.408 4 2 0 -4.88709525925611 3427821 CCN1C=C(C2=CC=CC=C21)C3=NCCO3 1 2.612 2 1 -3.54588365577964 3427820 CCN1C=C(C2=CC=CC=C21)C3=NC(CO3)C 1 2.99 2 1 -2.09390948717328 3427787 COC1=C(C=C(C=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)OC 1 1.548 2 6 0 -15.429931866128 3427786 COC1=C(C=C(C=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)[N+](=O)[O-] 1 1.459 3 7 0 -15.7106989425045 3427785 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 2.14 3 6 0 -9.17672206553064 3427774 CC1=CC(=CC(=C1)NC2=NC=C3C(=N2)CC(CC3=O)C4=CC=C(C=C4)OC)C 1 4.253 3 2 -10.2416591279099 3427773 CC1=C(C2=C(N1C)C=CC(=C2)OC)C=NNC3=CC=C(C=C3)C(=O)O 1 3.707 3 3 0.231351376586275 3427728 CCC1=CC(=CS1)C2=NNC(=S)N2C(C)C3=CC=CC=C3 1 4.537 3 0 -6.68666671157892 3427706 CCOC1=CC=C(C=C1)NCCC(C2=CC=C(C=C2)F)O 1 3.311 1 2 -2.12434934832959 3427699 CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)Cl 1 4.243 6 2 0 1.55903488986605 3427652 C1=CC=C(C=C1)CN2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O 1 3.175 2 3 -2.03249753106112 3427649 CC(C)N(C(C)C)C(=O)COC(=O)C1=CC(=CN=C1)Br 1 2.001 2 3 -10.5015384448373 3427605 COC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4OC)S2 1 3.833 3 3 -7.81489609497372 3427569 CC1CCCN(C1)C(=O)CNS(=O)(=O)C2=CC=CS2 1 1.029 2 3 0 -14.080295103296 3427555 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=CN2C3=CC=CC=C3 1 1.182 4 3 0 -22.39138626455 3427544 C1CC2C(=O)NC3=C(N2C1)C=CC(=C3)C#N 1 1.273 3 1 0 -6.11033568735564 3427519 CC(=NNC(=O)OC)C1=CC=CC=C1Br 1 2.391 2 2 -7.04530596392539 3427506 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4CCCCC4 1 2.872 4 4 0 -15.3467740565466 3427505 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=CC=CC=N4 1 1.978 5 4 0 -13.1207959905061 3427503 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=CC(=CC=C4)Cl 1 3.254 4 4 0 -10.5341385937853 3427502 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=CC=C(C=C4)F 1 2.795 4 4 0 -12.4737365985007 3427500 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCCC4=CCCCC4 1 3.341 4 4 0 -18.5590910298366 3427489 CC(C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N)NC(=O)OC(C)(C)C 1 1.341 3 6 0 -22.045096483801 3427424 CC(C(=O)NC1CCCC1)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 1.641 2 6 0 -26.6058594567137 3427400 CC1C(=O)N(C(=NC2=CC=CC=C2)S1)S(=O)(=O)C3=CC=CC=C3 1 3.723 2 3 -7.88643215640621 3427389 CC1=C(C=C(C=C1)Cl)NC(=S)N(CCN(C)C)C(C)C2=CC=CC=N2 1 5.469 4 0 -5.09901526227937 3427387 CCC1=CC=CC=C1NC(=S)N(CCN(C)C)C(C)C2=CC=CC=N2 1 5.261 4 0 -7.81243213569063 3427385 CC(C1=CC=CC=N1)N(CCN(C)C)C(=S)NC2=CC(=CC=C2)SC 1 4.86 4 0 -4.38850415643696 3427367 C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC=CC=C3Cl 1 5.729 3 0 -8.38800829242989 3427358 C1CCN(CC1)CCN(CC2=CC=CO2)C(=S)NC3=CC=CC=C3Cl 1 5.533 3 1 -7.73334979118613 3427299 CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)NC1=S 1 3.053 3 2 -12.8963345244884 3427232 CCSC1=NN=C(N1C2=CC=CC=C2OC)CNC(=O)C3=CC=CC=C3F 1 3.582 4 2 -20.2627541521445 3427196 C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=CC=C3O)O 1 1.471 1 3 0 -1.35947336432272 3427192 CC(=NOC(=O)C1=CC=C(C=C1)F)C2=NC=CS2 1 2.192 2 2 -1.25291788510355 3427188 CCOC(=O)CC1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)F 1 3.161 1 4 -8.64177579086031 3427067 C1C2=CN=C(N=C2C3=CC=CC=C3O1)NC(=O)C4=CC=C(C=C4)Cl 1 3.705 3 2 -0.153266589707755 3427057 CC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)S(=O)(=O)NC(C)C(=O)O 1 0.676 2 9 0 -16.0567606395449 3426937 CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCSCC3 1 1.404 3 3 0 -6.58639957675048 3426917 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCCCCC(=O)O 1 1.589 2 6 0 -15.3281427031718 3426853 CC1=CC=CC(=C1)C=NNC(=O)C2CCCNC2=O 1 1.401 3 2 0 -15.2809207590931 3426817 C1CN(CCN1C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)F 1 3.706 3 0 2.35428611619693 3426651 CC1(CC2=C(C(C(=C(N2C3=CN=CC=C3)N)C#N)C4=CC=CC=C4OC)C(=O)C1)C 1 2.898 4 2 -22.0634744628512 3426586 CC1=CC=C(C=C1)N2CC(=O)N(C2=O)CC(=O)O 1 0.795 2 4 0 -12.2447439675914 3426552 CCN(CC)CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4 1 3.6 4 4 0 -13.6719282888406 3426487 C1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N 1 0.515 6 3 0 -0.124342113884265 3426457 C1CC1C(=O)NC2=NC(=CS2)C3=NC4=CC=CC=C4S3 1 3.142 3 1 2.86142947421185 3426335 CC1=CC=CC=C1C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)F 1 3.147 3 2 -3.69591514676898 3426183 CCC(C1=CC=C(C=C1)C(C)C)NC(=O)C2=CC(=CC=C2)CN3C=C(C=N3)[N+](=O)[O-] 1 4.844 4 3 0 -14.9777606175171 3426162 CC1=C(SC2=NC=NC(=C12)N(C)C3CCCCC3)C 1 4.303 3 0 -4.07495244562163 3426161 CC1CC2=NC(=NC=C2C(=O)C1)N 1 0.606 3 1 0 -6.89323584596804 3426137 CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C43)NC1=S 1 4.079 3 2 -14.5124320458407 3426128 CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCOC 1 2.661 3 3 -11.9517502815403 3426066 C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC=C(C=C3)[N+](=O)[O-] 1 2.948 4 2 6.78553047872173 3426061 CC(=O)C1=CN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)OC 1 3.501 1 3 -2.79112915486792 3426001 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CC=C3 1 2.981 2 4 -21.2137072429374 3425997 CCC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C(C)C 1 3.224 8 2 0 -22.2733778113432 3425988 CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 2.067 3 6 0 -23.8946901966367 3425911 C1COCCN1C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-] 1 0.749 6 4 0 -2.05523261643267 3425909 CC1=C(C=C(C=C1)NC(=O)C(=O)NN=C(C)C2=CC=NC=C2)Cl 1 1.93 4 2 0 -8.30970530999068 3425678 COC1=C(C=C(C=C1)NC(=O)CCC(=O)C2=CC=CS2)S(=O)(=O)NC3=CC=CC=C3Cl 1 3.659 2 5 0 -13.9636376284478 3425642 COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=NOC(=N3)C4=CC=C(C=C4)Cl 1 4.612 3 3 2.40053414966234 3425624 CC1=C(C=C(C=C1)C(C(Cl)(Cl)Cl)NC(=O)N2CCOCC2)F 1 3.164 2 2 -8.97777506141208 3425572 COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC(=C(C=C4)OC)COCC(C(F)F)(F)F)OC 1 5.576 3 5 0 -13.3957760007713 3425553 CCC(C)(C#C)NC(=O)C1=CC2=C(C(=CC=C2)CC=C)OC1=O 1 4.374 1 3 -15.161872968441 3425253 COC1=C(C=C(C=C1)[N+](=O)[O-])C=NNC(=O)CNC(=O)C2=CC(=CC=C2)F 1 1.826 4 5 0 -12.9914175079372 3425230 CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2CCCC2 1 2.498 2 3 -21.1887000017029 3425070 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=CC=C2C 1 3.213 1 3 -14.7529887028734 3425069 CCOC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C 1 3.059 1 4 -13.1791886933994 3425068 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.621 2 5 0 -14.0560190669924 3425064 CCC1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C 1 3.669 1 3 -14.1203010060711 3424939 CCN(CC)C(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CC4=CC=CO4)OCO3 1 2.733 3 5 0 -21.6746746503242 3424899 CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)ON=CC3=CC=CC=C3OC(F)F 1 2.426 3 6 0 -20.6725442951933 3424834 CC(=NNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)O)[N+](=O)[O-])C3=CC(=CC=C3)NC(=O)C 1 2.561 5 7 0 -13.3710001915203 3424816 COC1=C(C=C(C=C1)CCN2C(=O)C(NC2=O)(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)Cl)OC 1 3.54 3 6 0 -6.0169787967977 3424815 C1CN(CCC12OCCO2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCO 1 0.79 5 6 0 -0.187536010267863 3424808 C1=CC=C(C(=C1)CN2C=CC(=N2)N)F 1 2.061 3 0 -5.40242494496805 3424737 C1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)NNC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.748 4 4 0 -10.6886678148463 3424736 CC(=NNC(=O)CC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC3=C(C=C2)OCO3 1 1.725 3 6 0 -13.1315933771968 3424690 CCN1C=C(C2=CC=CC=C21)C3=NC(CO3)(C)C 1 3.195 2 1 -0.838020166200072 3424689 CCN1C=C(C2=CC=CC=C21)C3=NC(CO3)CCSC 1 3.317 2 1 -4.05856907365078 3424646 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4 1 1.39 4 4 0 -20.4058936838186 3424575 CCOCCCNC(=O)C(C1=CC=C(C=C1)C)NC(=O)C2=CC=C(C=C2)NC(=O)C 1 1.703 3 4 0 -23.1015070670102 3424548 CC(=NNC(=O)C1=CC=CO1)CC(=O)NC(C)(C)C 1 0.705 3 3 0 -14.4939430323495 3424533 CCCCCC(=NNC(=O)CCC(=O)NCC1=CC=CC=C1)C2=CC=CC=C2 1 4.042 3 2 -15.8984635193798 3424522 CC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)S(=O)(=O)N3CCOCC3 1 -0.251 2 8 0 -34.8547555672776 3424506 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CC3=CC=C(C=C3)Cl 1 2.28 2 4 -8.67163898515053 3424504 COC1=CC=CC(=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC 1 1.565 2 5 0 -11.5171539024515 3424503 COC1=CC=CC(=C1)CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC 1 1.6 2 5 0 -10.518908692823 3424502 CCCSC1=NC(=O)C(=C(N1C)O)C(C2=CC(=C(C=C2)OC)O)C3=C(N(C(=NC3=O)SCCC)C)O 1 5.034 4 6 0 -8.96235198179533 3424501 CCN(CC)CCNC1=NC=NC2=C1SC3=NC(=C4CSC(CC4=C23)(C)C)N5CCOCC5 1 3.896 6 1 0 -11.7062677995185 3424493 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NCCN(C)C 1 3.375 3 1 -1.22992173106152 3424450 CC(=NNC(=O)CCC(=O)NCC1=CC=CC=C1)C2=CC=CO2 1 1.401 3 3 0 -13.8837169317071 3424447 CC1=CC(=O)OC2=C1C=C(C=C2)OC(C)C(=O)O 1 2.295 0 5 -9.71885464072265 3424399 CCN1C=C(C=N1)C(=O)NC(C)C23CC4CC(C2)CC(C4)C3 1 2.889 3 1 -12.7319433836033 3424334 CON=CC(C1=C(C=C(C=N1)C(F)(F)F)Cl)S(=O)(=O)C2=CC=CC=C2 1 3.569 2 3 0.858223699367704 3424209 CN(C)C1=NC(=CC(=N1)Cl)N2CCOCC2 1 1.377 4 1 0 -4.66530206196418 3424196 CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CN2CCC(CC2)CC3=CC=CC=C3 1 3.782 5 3 0 -4.31685873857475 3424191 C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)Cl)C(=O)COC3=CC=C(C=C3)F 1 3.04 1 4 -10.8894172723331 3424181 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CNC(=O)C3=CC(=C(C=C3)OC)OC 1 2.404 5 5 0 -26.4098557492478 3424138 CN1C(=O)CC(C1=O)NC2=CC=CC3=C2C(=CC=C3)N 1 0.919 3 2 0 -4.48790704148649 3424085 CCC1C(=O)N(C2=CC=CC=C2S1)CC(=O)NC(C)CC 1 2.701 2 2 -13.4761820950068 3424071 CC(C)C1=CC2=C(CC(NC2=O)(C)C)C=C1 1 2.889 1 1 -4.76712551894318 3423991 CC(C)C(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC(=CC(=C3)OC)OC 1 2.754 2 6 0 -25.2074493035 3423896 COC(=O)C1N2C(CS1)C(=O)N(CC2=O)CC3=CC=C(C=C3)F 1 1.013 2 4 0 -7.30877695406941 3423894 CCCCCC(=O)NC(CC(=O)OC)C1=CC2=C(C=C1)OCO2 1 2.744 1 5 -17.5455105688211 3423858 CC(=NNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=CC=CC=C2Cl)C3=CC=NC=C3 1 3.329 4 3 0 -11.6211446818678 3423839 CC(=O)OC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OC(=O)C 1 2.769 0 5 -1.974721393641 3423835 CC1=NC(=CC=C1)NC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 2.261 5 4 0 -12.8709747677321 3423834 CC(C)C1=CC=C(C=C1)N(C)C(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)O 1 4.47 2 3 -4.08743595769108 3423831 CN1C(=C(C(=N1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)Cl 1 4.612 3 1 3.04798571576358 3423829 CC1=CC(=CC=C1)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N 1 3.732 2 1 2.85515569853788 3423827 CC1=CC(=CC=C1)S(=O)(=O)C2=C(C=C(N(C2=O)CC3=CC=C(C=C3)Cl)C)C 1 4.383 1 3 -4.76527489020213 3423822 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)NC3=CC=CC=C32 1 0.698 3 4 0 -22.0151670318514 3423814 CCC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.847 1 3 -10.4174387777395 3423767 COC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F 1 2.097 4 4 0 -26.9038274814285 3423729 CC1=C(C(=NO1)C)N=NC2=CC=CC=C2C(=O)O 1 2.711 3 3 -1.03444583286135 3423721 CC1=C(C=CC=C1Cl)NC(=S)N(CCN(C)C)C(C)C2=CC=CC=N2 1 5.469 4 0 -4.36517267654558 3423663 C1CN(CCC1NC(=O)NC2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)F 1 2.3 3 3 -18.9976167210725 3423662 CCOC(=O)NC(=O)C(=NNC1=CC(=CC=C1)OC)C#N 1 1.893 4 4 0 -3.15591140773081 3423606 CC1CC(=O)C2=C(S1)C=C(C=C2)OC 1 2.406 0 2 -3.92665763123121 3423565 CC1=C(C=CC(=C1)C(=O)NC2=CC3=CC=CC=C3N=C2)[N+](=O)[O-] 1 3.181 3 3 -5.6165245922339 3423433 CC(=O)NC1=CC=C(C=C1)OCCF 1 1.334 1 2 0 -5.41393671464975 3423367 C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC=C(C=C3)Br)N=CC=C2 1 3.252 2 2 -4.74017297526001 3423335 C1=CC(=CC=C1C(=NC2=CC=C(C=C2)Cl)NO)Cl 1 4.01 2 1 2.85525925590375 3423334 COCCOC1=C(C=C(C(=C1)NC(=O)C2=CC(=CC=C2)OC)Cl)Cl 1 3.779 1 4 -8.14252207921882 3423290 C1=CC=C(C=C1)CC(=O)NC2=NC=CC=N2 1 1.391 3 1 0 -7.64052600609386 3423241 C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=CC3=NON=C32 1 0.618 3 5 0 -13.5906877971912 3423195 C1CC2=CC=CC3=C(C=CC1=C23)C4=NNC(=C4)C(=O)NN=CC5=CC=C(C=C5)C(=O)O 1 4.504 4 3 0 -0.656830668996809 3423194 CC(=NNC(=S)NCC=C)C1=CC(=CC=C1)OC 1 2.812 3 1 -11.7348557920997 3423164 C=CCNC(=O)C1=NOC(=C1)C2=CC3=C(C=C2)OCO3 1 2.115 2 4 -10.6157851620282 3423158 C1CCC(CC1)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCN5CCCCC5)C(=O)NC6=CC=C(C=C6)Br 1 2.966 4 4 0 -1.99960671933904 3423151 C1CC(OC1)N2C=C(C(=O)N(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-])F 1 1.058 3 5 0 -13.3473585803549 3423046 CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)C2=CC=C(C=C2)OC 1 2.664 1 4 -10.3650660543595 3422999 C1=CC2=C(NC(=O)C(O2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1 1 1.604 3 6 0 -11.3517062408599 3422926 CC1=CC=CC=C1C2=CN(C(=S)N2)C3=CC=CC=C3 1 4.321 2 0 -1.44859410150284 3422881 CC1=CC=C(C=C1)CNC(=O)C2CCC(=O)N2CCC3=CC=CC=C3 1 3.004 2 2 -11.6241757394576 3422818 C1CC(=O)N(C1C(=O)NCC2=CC=C(C=C2)F)CCC3=CC=CC=C3 1 2.723 2 2 -10.9122987139924 3422817 CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)NCC3=CN=CC=C3 1 1.556 3 2 0 -16.9865832390094 3422816 CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)NCCC(C)C 1 2.704 2 2 -19.2334974915454 3422704 C1CN(CCC12CO2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.127 1 3 0 -12.6017078084408 3422670 CCOCC(=O)NC1=NOC(=C1)C 1 0.174 2 3 0 -15.8831274373921 3422661 CCOC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=C(C=C(C=C3)OC)OC 1 2.782 3 5 0 -10.3153131616073 3422552 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCNC=C3C(=O)CC(CC3=O)C4=CC=CC=C4 1 4.023 4 4 0 -25.2769761573983 3422545 CC(C1=CC=CC=C1)NC(=O)C(=O)NNC(=O)C2=CC(=C(C=C2)OC)OC 1 1.489 3 5 0 -15.6523488109121 3422474 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O 1 4.061 1 6 0 -13.2382559607677 3422467 COC1=C(C=C(C=C1)CN2CCCC(C2)C(=O)N3CCC4=CC=CC=C4C3)OC 1 3.55 2 3 -8.04899881548098 3422428 CC1CCC2=C(C1)SC=C2C3=NNC(=S)N3CC=C 1 4.015 3 0 -12.2011015935855 3422407 CC(=NN=C(C1=NON=C1N)N)C2=CC3=C(C=C2)OCO3 1 0.511 6 3 0 -7.70655650785348 3422328 C1CCN(CC1)C2=C(C=C(C=C2)N)S(=O)(=O)NC3=CC=C(C=C3)Cl 1 3.314 3 2 3.07071719260178 3422306 CN(C)C(CNC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCOCC2)OC)C3=CC=CC=C3 1 1.709 3 5 0 -19.2850600340685 3422288 CCN1CCN(CC1)C2=C(C(=NC(=N2)N(C)C3=CC=CC=C3)N)[N+](=O)[O-] 1 2.385 7 2 0 2.88850092127834 3422248 COC(=O)C1=CN=C(N=C1C(F)(F)F)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.862 5 5 0 -7.70689426479468 3422206 COC1=CC=CC=C1CNCC(CN2C3=CC=CC=C3C4=CC=CC=C42)O 1 4.188 2 2 4.3932951038147 3422200 C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Cl 1 3.302 2 4 -0.109389491891338 3422185 CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)N 1 2.642 3 0 3.28034139402728 3422179 COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)N 1 3.262 1 2 -0.471918811060895 3422137 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCOC 1 3.189 6 3 0 -20.7984371085373 3422135 COC1=CC(=CC(=C1)C(=O)N2CCN=C2SCC3=CN=CC=C3)OC 1 2.708 3 3 -15.2579152307972 3422092 C1C(=O)N(C(S1)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3 1 3.133 2 3 -13.4087180570932 3422075 CCCCN(CC)C(=O)CSC1=NC(=O)C2=C(N1)N(C(=S)S2)C3=CC=C(C=C3)OCC 1 5.485 4 3 0 -22.5309393765334 3422062 C1CN(C(=N1)SCC2=CC=C(C=C2)F)C(=O)C3=CC=CS3 1 4.05 2 1 -13.4145417416603 3421797 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-] 1 3.519 3 4 0 -6.60603011623251 3421590 CC1=CC(=CC=C1)NC(=O)CCN2C(=O)C3C4CC(C3C2=O)C=C4 1 1.481 2 3 0 -6.20963355939233 3421589 CC1=CC=C(C=C1)C(=O)ON=CC2=C(C3=CC=CC=C3CC2)Cl 1 4.92 1 2 2.82123734342497 3421545 CCC1(CC2=C(CO1)C=C3C(=C(SC3=N2)C(=O)OCC)N)C 1 2.616 2 3 -14.3777605017517 3421534 CC1=CC(=CC(=C1)NC(=O)CON=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC)C 1 5.519 2 4 -4.68553780257544 3421492 COC1=CC=C(C=C1)NC(=O)N2CCC(CC2)CC3=CC=CC=C3 1 3.793 2 2 -1.8134609275417 3421483 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3 1 1.913 3 8 0 -36.7287264797224 3421471 CCCC12CN3CCN(C1)CC(C3)C2=NNC(=O)C4=CC=C(C=C4)C(C)(C)C 1 3.506 4 1 -5.65119055226479 3421461 CC(C(=O)N)OC(=O)C1=CC=CC=C1CCC2=CC=CC=C2 1 3.454 1 3 -8.90252613576418 3421420 CC(C)CN1C(=C(C(=O)N(C1=O)C)C=NNC(=O)C2=CC=C(C=C2)Cl)N 1 1.742 5 3 0 -10.9865093198294 3421253 COC(=O)CCSC(=S)N1CCOCC1 1 1.847 1 3 0 -13.5703636241111 3421246 C1=CC=C(C(=C1)C(=O)NC2=NC=CC(=N2)C3=CC=CS3)Cl 1 3.921 3 1 -7.31741142676585 3421238 C1CN(CCN1CCOC(=O)C2=CC=C(C=C2)F)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.654 3 2 1.73821339893656 3421208 CC(=NNC(=S)NCC1=CC=CC=C1)C2=C(C3=CC=CC=C3C=C2)OC(F)F 1 5.509 3 1 -5.18782447460427 3421172 CC1(C2(CCC1(CC2=NO)C(=O)NC3=CC=CC=C3)C)C 1 2.647 2 2 -5.00165139468966 3421168 C1CC(OC1)CNC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4 1 2.555 4 3 0 -9.76521512207068 3421129 CCC1=CC=C(C=C1)OCC(=O)NN=C(C)C2=CC=CC=C2OC(F)F 1 4.247 2 3 -6.38870452349935 3421126 COC(=O)C1=CC=C(C=C1)C=NNC2=NC(=CS2)C3=C(C=C(C=C3)Cl)Cl 1 4.939 3 2 2.1529154652347 3421069 CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=NN(C=C3Cl)C 1 3.077 5 1 -8.8422172037121 3420998 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=CC=C3C(=O)O)[N+](=O)[O-] 1 2.55 4 6 0 -16.3237946591142 3420968 CNC1=C(C=NN1C2=CC=CC=C2Cl)[N+](=O)[O-] 1 2.548 4 2 -5.80653688789032 3420870 C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=C(C=CC(=C3)F)F 1 2.856 3 2 -3.13830010914312 3420836 C1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)OC(C(F)F)(F)F)NC(=O)COC3=CC=CC=C3 1 4.55 2 5 0 -8.54806707758367 3420771 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32)Cl 1 1.778 3 4 0 -15.592757838495 3420762 CCCOC1=CC=C(C=C1)C=NNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.769 3 4 0 -11.2600420146409 3420746 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCC(OC)OC 1 -5.e-003 2 5 0 -27.5189053325751 3420743 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)NCC4COC5=CC=CC=C5O4)C 1 4.255 2 6 0 -12.6530636636324 3420721 CN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC=CS3 1 3.136 3 1 -3.23502263182851 3420663 CCC1C(=O)C2=CC=CC=C2N(C1=O)C 1 1.829 1 2 0 -1.91846840921798 3420635 CCC(C)NC(=O)CCSC1=CC=C(C=C1)C 1 3.416 1 1 -14.6498755088238 3420548 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CO5)C6=CC=CO6 1 5.885 4 3 0 -2.99652979880011 3420546 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CO5)C6=CC=CO6 1 5.994 4 3 0 2.6664644460139 3420542 CC(C)N(C(C)C)C(=O)COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2OC)OC 1 2.99 2 7 0 -21.7266525104568 3420408 CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCC2CCCC2 1 3.407 2 5 0 -13.4716028619711 3420393 C1=CC=C(C(=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)Br 1 3.653 1 3 -11.6582416748671 3420390 C1=CC(=CC=C1CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br)S(=O)(=O)N 1 2.022 2 5 0 -19.1574154284931 3420303 C1CC(OC1)CNC2=NC=C3C(=N2)CC(CC3=O)C4=CC=C(C=C4)F 1 2.285 3 2 -14.4520273029836 3420293 CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)N4CCOCC4)C)Br 1 2.493 4 4 0 -23.6851024468309 3420292 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCOCC3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-] 1 1.153 5 6 0 -24.4600656206883 3420243 CC1(CC1(Br)Br)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.936 3 4 0 -9.86968310593733 3420138 CC(=NNC(=O)C1=CC=CC=C1OC)CC(=O)NC2=NC=C(C=C2)Cl 1 1.991 4 3 0 -8.15348204143179 3420080 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(NC(=O)NC2=O)C)C 1 0.666 3 4 0 -12.7016132523297 3420063 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)OC)OC 1 2.417 3 6 0 -10.1177437048183 3419952 CC1=CN=C(C=C1)NC(=O)C2=NC=CN=C2 1 0.616 4 1 0 -9.40808906660534 3419936 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCOCC4)OC 1 3.027 3 4 0 -13.606292273008 3419874 C1CC(OC1)CNC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4F 1 3.352 3 3 -25.0813960936095 3419660 CC1=CC=C(C=C1)C(C(=O)C2=CC=CO2)O 1 2.498 0 3 -2.51863784311134 3419611 CC(C)NC(=NCC1=C(C=C(C=C1)Cl)Cl)NC2=CC=CC=C2 1 4.845 3 0 -4.66033144930991 3419602 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 2.605 4 5 0 -15.0183703643488 3419590 CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4)N5N2CCC5 1 2.037 3 2 3.07511207952333 3419560 C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 3 3 5 0 -14.1332928639448 3419559 COC1=CC=CC=C1CNC(=O)COC(=O)C2=C(N=CC=C2)SCC(=O)NCC3=CC=CC=C3OC 1 2.869 3 6 0 -23.8955669660492 3419163 CC1=CC=C(C=C1)N=C2C(=CC3=C(O2)C=C(C=C3)OC)C(=O)N 1 3.169 2 3 -1.12501491441459 3419105 CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=CC=CC=C4C=C3)CCOC 1 3.588 4 3 0 -6.64547305644576 3418940 CC1COC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.367 1 3 -5.85832648684391 3418935 C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3SC2=O)F 1 3.765 1 2 -1.39152849263158 3418920 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCC(=O)NCC3=CC=C(C=C3)OC)OCC 1 2.631 3 6 0 -20.427495109432 3418915 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCC(=O)N(C)CC3=CC=CC=C3)OCC 1 2.854 3 5 0 -17.8987190933019 3418901 CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 2.77 4 4 0 -25.8711250683287 3418823 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C(C)OC5=CC=C(C=C5)Cl 1 4.698 6 3 0 -22.9244670359857 3418820 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=C(OC(=C3)C)C 1 3.131 2 2 -10.7068391682985 3418782 CC1=CC=C(C=C1)C(=O)NC2=NC=C3C(=N2)C=CC=C3Cl 1 3.844 3 1 -2.22576902400934 3418770 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC3=NON=C32 1 2.373 3 3 -0.364537901246882 3418737 CC(C)(C)OC(=O)NCCCCCC(=O)NN=CC1=NC2=C(C=C1)C=C(C=C2)OC 1 3.733 4 4 0 -13.9079866922783 3418699 CC(CCC1=CC=CC=C1)NC(=S)NC(=O)C2=CC=CO2 1 4.045 2 2 -9.19009667431836 3418657 CC(C)C1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3N=C2C4=CC=CC=C4Cl 1 5.971 3 1 -4.26061387761974 3418567 C1C(C(C(=CC1=O)O)N2C=NC=N2)C3=CC=C(C=C3)F 1 1.362 3 2 0 -5.37559530280643 3418522 CC1=CC(=NC=C1)NC2(C(=C(NC2=O)C)C#N)C(F)(F)F 1 1.313 4 1 0 -8.01114525261137 3418405 CC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CCC2=O 1 -0.211 2 4 0 -14.4738828475697 3418404 CC(=O)NC1=NN=C(S1)SCC(=O)N2CCCC3=CC=CC=C32 1 1.88 4 2 0 -21.4789803488334 3418260 CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=C(C=C4)F 1 5.315 2 5 0 -22.3943020442525 3418248 COC1=CC=C(C=C1)N2C=C(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C#N 1 2.588 3 3 -7.03465344289198 3418247 CC1=NN(C(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C 1 2.765 3 2 -4.7232926717461 3418223 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)CC2CC3CCC2C3 1 3.866 1 3 -7.28118112031452 3418173 CC(C)CC1=C2CCCCC2=C(C(=N1)Cl)C#N 1 4.602 2 0 -1.69544408729828 3418153 C1C=CC2C1CC2=NNC(=O)C3=CC=C(C=C3)O 1 1.608 2 2 0 -0.78242932272495 3418142 CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C 1 2.77 4 4 0 -25.7473362172544 3418122 C1=CC=C(C=C1)C(=NNC(=O)C2=CC=CS2)CCC(=O)O 1 2.462 2 3 -10.9766336603417 3418102 CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(C(=CC=C3)OC)OC)C(=O)C4=CC=CC=C4F 1 5.075 2 3 -9.69716277710738 3418043 CN(C)C(CNC(=S)NC1=CC=CC=C1)C2=CN=CC=C2 1 3.112 4 0 -9.2184203729846 3418022 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F 1 4.162 2 4 -14.4005805290853 3417983 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3413292 CC1=C(N=CC=C1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.257 2 3 -6.20693212486534 3413254 CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3O)[N+](=O)[O-] 1 3.013 3 4 0 -1.15391910211754 3413238 C1=CC2=C(C=C1C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N)SC=N2 1 2.029 4 3 0 -12.3913521605059 3413220 CC1CC(=NNC2=NC3=CC=CC=C3N2)CC(C1)(C)C 1 3.303 4 0 -1.61847614456983 3413206 CC1CN(CC(O1)C)CC2=CC(=O)N=C(N2)C(C)C 1 1.128 3 2 0 -9.97755787369621 3413199 CCCN1C(=NC2=NC3=CC=CC=C3N=C21)C4=CC(=C(C(=C4)OC)OC)OC 1 4.158 4 3 0 -5.6788187383627 3413160 COC1=CC=CC(=C1)C(=O)N2CCN=C2SC 1 2.292 2 2 -7.15776703945959 3413159 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)N3CCCCCC3 1 1.862 4 6 0 -26.8916025679473 3412902 CC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=S)NC3=CC(=CC=C3)OC 1 5.749 3 1 -9.36288152512169 3412886 CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OC)C(=O)N1 1 2.221 3 3 -12.0724295036794 3412852 C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)C5=CC=CO5 1 3.48 2 2 -3.61981562613141 3412547 CC(C)(CO)NCC(COC1=CC2=C(CCC2)C=C1)O 1 2.005 1 3 -6.72881272627328 3412518 C1COC2=CC=CC=C2C3=C1C4=CC=CC=C4N3 1 3.991 1 1 -0.691111536596939 3412465 CCOC1=CC=C(C=C1)NC(=O)N2CCC(C2)C3=CC=C(C=C3)C 1 3.783 2 2 -3.2352443579163 3412464 CC1=CC=C(C=C1)C2CCN(C2)C(=O)NC3=CC=C(C=C3)F 1 3.656 2 1 -1.34417797159888 3412462 CC1=CC=C(C=C1)C2CCN(C2)C(=O)NC3=CC=CC(=C3)C(=O)C 1 3.19 2 2 -4.62701892018525 3412383 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3N2C 1 1.757 3 3 0 -19.841740385013 3412234 CC(C(C(=O)OCC(=O)NC1=C(N=CC=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)Cl)O 1 1.445 3 6 0 -17.3551877691191 3412217 CCN(CC)C(=O)CSC1=NC2=C(C(=O)N1C3=CC(=C(C=C3)OC)OC)SC(=S)N2C4=CC=CC=C4 1 5.923 4 4 0 -24.373156790152 3412180 C1CN(CCN1CC2=CC=C(C=C2)Cl)CC(=O)NN=CC3=CC=CC=C3OCC(=O)O 1 -0.34 4 4 0 -3.89599323747428 3412128 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCCC(C3)C(=O)OCC 1 2.932 2 6 0 -18.7950838098463 3412097 CC(C)C1C(COC(O1)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)(C)C 1 4.394 1 3 -6.72141687613714 3412095 C1C(N(C(S1)C2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)Cl)C(=O)O 1 4.405 1 3 -9.72187189026366 3412023 C1CNC(=S)C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 1 4.4 1 0 -4.57395732664026 3411955 C1=CC=C(C=C1)S(=O)(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)C4=CC=C(C=C4)F)C(F)(F)F 1 2.024 4 5 0 -5.66303190207262 3411950 CC1=CC=CC=C1NC2=NC(=S)N(C23CCOC(C3)(C)C)CC(=O)N 1 2.139 4 2 -9.00153692324763 3411928 CCOC1=C(C=C2C(=C1)N=C(N=C2NCCCN3CCOCC3)C4=CC(=C(C=C4)OC)OC)OC 1 3.055 4 5 0 -0.648693337153813 3411911 CCOC(=O)N1CCC(=NNC2=C(C=C(C=N2)C(F)(F)F)Cl)CC1 1 3.19 4 2 1.30646568961319 3411886 CCN(CCO)C1=NC=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)C(C)C 1 3.353 4 2 -12.0175234978324 3411874 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C 1 2.083 2 6 0 -16.6108732759727 3411758 COC1=CC=CC=C1C2NC(=O)CS2 1 1.44 1 2 0 -9.0709632321521 3411733 CCOC(=O)C1=CN=C(N=C1OC2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)SC 1 3.888 3 6 0 -4.4173526558383 3411673 CCOC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)C=C3C(=O)N(C(=O)N(C3=O)C)C 1 4.183 2 5 0 -16.2092365654823 3411609 CC1=C(N=C(S1)C2=CC=CC=N2)OC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.933 2 2 4.22632019890427 3411608 C1=CC(=C(C(=C1)Cl)CONC(=O)N)Cl 1 1.922 2 2 0 -2.01977685605839 3411561 COC(CNC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CS3)C4=CC=CS4)OC 1 4.24 3 3 -12.0035833585269 3411487 CC(C1CC2CCC1C2)NC(=O)C3=CC(=C(C=C3Cl)F)F 1 4.355 1 1 -4.58832997761248 3411449 CC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=CS2)S(=O)(=O)C 1 2.091 3 3 -13.6459674797195 3411360 C1CC(=O)N(C1C(=O)NC2=CC=C(C=C2)Cl)CC3=CC=CC=C3Cl 1 3.519 2 2 -7.20022611210273 3411281 C1CC(OC1)CNC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 1.369 2 3 0 -21.3283843592405 3411217 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3CCCO3 1 2.29 2 4 -29.3322473714832 3411203 C1=CC=C2C(=C1)C(=CN2)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-] 1 2.645 3 4 0 -2.03932750592313 3411151 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CNC3CCCCC3)C4=CC5=CC=CC=C5C=C4 1 4.972 3 2 0.739600288383406 3411077 C1C2=CC=CC=C2N3C=CC=C3C(N1)C4=CC=CC=C4Cl 1 4.458 2 0 -7.23211112770795 3411052 CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.875 3 4 0 -26.0053569139952 3411036 CCC(C(=O)N1CCCC1)NC(=O)C2=CC=CC=C2NC(=O)C(C)(C)C 1 2.439 3 3 -25.3935851719917 3410923 CC(C)C1N(CCN1S(=O)(=O)C2=CC=CC=C2)C(=O)CN3CCCCC3 1 2.349 3 3 -13.5120891635855 3410901 CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br 1 3.144 3 4 0 -24.7305747815143 3410896 CCOC1=CC=CC(=C1)C(=O)NNC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.082 2 5 0 -8.96528022651567 3410893 CCOC1=CC=CC(=C1)C(=O)NNC(=O)CCC(=O)O 1 0.384 2 5 0 -15.0423335888127 3410870 COC1=C(C=C(C=C1)C(=O)NN=CC2CCC=CC2)OC 1 2.56 2 3 -9.22114623413798 3410816 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCOCC2 1 1.044 2 4 0 -11.3932873249452 3410702 CC1=C(C=CC(=C1)C(C(=O)OC)(C(F)(F)F)O)NC(=O)C2=CC=CS2 1 3.262 1 4 -10.3236991870348 3410700 COC(=O)C(C1=CC=C(C=C1)NC(=O)C2=CC=CS2)(C(F)(F)F)O 1 2.776 1 4 -7.93802437320683 3410516 CC1=CC(=CC=C1)NC(=O)C2=CN=C3N(C2=O)C=CS3 1 1.112 3 2 0 -10.4699402953133 3410430 C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54 1 4.935 4 5 0 -28.1480649919117 3410391 CS(=O)(=O)N1C(CC(=N1)C2=CC=CO2)C3=CC=C(C=C3)Br 1 2.686 2 3 -0.953549627957326 3410253 CCOC(=O)CCC1=C(NN=C1C)C 1 1.397 2 2 0 -8.40613156297366 3410228 CCOC(=O)C(C(=O)NC1=C(C=CC=C1C)C)NC(=O)C 1 1.387 2 4 0 -13.4465061757364 3410204 C1CC(CN(C1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)NCC5=CN=CC=C5 1 3.378 6 1 0 -4.90356000642152 3410145 CC1=CC=C(S1)C(=NNC(=O)C2CC2C3=CC=CC=C3)C 1 3.14 2 1 -6.62047907902725 3409993 C1C(C(=O)NN=C1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Br 1 3.956 2 1 -2.83532076005703 3409842 CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)C3=CC=CC(=C3)C)C(=O)C 1 0.96 3 5 0 -8.77969665793844 3409819 C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)Cl 1 5.932 2 1 2.92740082994098 3409818 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)NCC4=CC=CO4 1 1.997 2 5 0 -11.6530688259565 3409775 CC(=O)C1=CC=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3 1 0.389 1 5 0 -1.86481585689157 3409589 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(CC=C)C3=CC=CC=C3)Cl 1 2.433 2 7 0 -32.5854549407016 3409527 CC1=C(C(C(=C(N1)SCC(=O)NC2=NC=CS2)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC=C 1 3.519 4 3 0 -37.5509966615865 3409522 CC1(CC2=C3C4=C(C(=NN=N4)N5CCOCC5)SC3=NC(=C2CO1)N6CCOCC6)C 1 1.553 6 3 0 -13.8757909341213 3409513 C1=CC(=C(C=C1Cl)Cl)CONC=NC(=O)NOCC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.194 4 3 0 9.04910899141484 3409426 CC(=O)C1=CC(=CS1)C(C2=CSC(=C2)C(=O)C)C3=CSC(=C3)C(=O)C 1 4.168 0 3 -2.46925177257631 3409397 CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)NC5=NCCCCC5 1 5.515 5 4 0 -29.8449245641962 3409384 COC(=O)C1=C(C=CS1)NC(=O)C23CC4CC(C2)CC(C4)C3 1 3.314 1 3 -7.61808540736 3409332 CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)SC3=NC4=C(S3)C=CC(=C4)Cl 1 3.587 3 4 0 -22.2223830787237 3409264 C1C(OC2=CC=CC=C2O1)C(=O)NC3=NN=C(S3)SCC4=C(C=C(C=C4)Cl)Cl 1 4.857 3 3 -12.7739206143179 3409226 COC1=C(C=C2C(N(CCC2=C1)C(=O)CCl)C3C(=O)CCCC3=O)OC 1 1.809 1 5 0 -14.988730776573 3409221 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(CNC34CC5CC(C3)CC(C5)C4)O)Cl 1 2.517 2 5 0 -17.5834277023611 3409215 CCC(C)(C(=O)NC1CCCC1)N(C2=CC=C(C=C2)C)C(=O)C 1 3.423 2 2 -12.1705944640624 3409168 CCOC(=O)C1CCCN(C1)CC2=CC(=O)OC3=CC(=C(C=C23)C)C 1 3.717 1 4 -6.5095687152675 3409148 CCOC1=CC=CC=C1NC2=C(C3=NON=C3C=C2)[N+](=O)[O-] 1 3.176 4 4 0 0.498015515208628 3409146 CCOP(=O)(C(C1=CC=CC=C1C(F)(F)F)NC2=CC=CC=C2)OCC 1 4.375 1 3 -6.73766525651799 3409119 C1C2(C=CC(=O)C(C2CC(=O)C3=CC=CC=C3)(CN1CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-] 1 -1.551 3 8 0 -6.79195443118724 3409116 CC1=C(C2=C(N1)C=CC(=C2)OC)CCNCC3=CC(=C(C(=C3)OC)OC)OC 1 3.645 2 4 -0.361783603074894 3409093 C1CC1C(=O)N2C(CC(=N2)C3=CC=CC=C3)(C(C(F)(F)F)(F)F)O 1 3.035 2 2 -3.25646922660553 3409029 CCOP(=O)(C(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)OC)OCC 1 2.816 1 5 -12.4654367109951 3408874 C1=CC=C(C=C1)S(=O)(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=CO4 1 2.591 3 4 0 -12.432938858758 3408816 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4 1 4.725 4 4 0 -14.9428478142115 3408795 CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OCC 1 4.115 3 4 0 -11.588615623858 3408735 COC(=O)C1=C(C=CS1)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.301 1 5 0 -6.98504081112648 3408560 CSCCC(C(=O)O)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1 1 1.942 1 4 0 -19.2307083761413 3408418 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2C(C3CCC2(C3)C)(C)C 1 2.329 2 3 -5.25522694137219 3408417 CC1=CC=C(O1)C2C3=C(C(=O)N2C4=NC(=C(S4)C(=O)OCC=C)C)OC5=CC=CC=C5C3=O 1 3.411 2 6 0 -20.5637816710286 3408395 COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)NC2=S 1 2.799 4 4 0 -14.8707518017405 3408389 COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4OC)NC2=S 1 4.47 3 4 0 -12.797810167025 3408278 COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S 1 3.343 4 3 0 -14.9337255087867 3408210 CC1=C(C=C(C=C1)C(=O)NCCC2=CC3=CC(=C(C=C3NC2=O)C)C)[N+](=O)[O-] 1 3.678 3 4 0 -15.0342918217528 3408209 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(=O)N3 1 -0.156 3 6 0 -24.5066227464296 3408153 CC1CC2=CC=CC=C2N1C(=O)CN3C=NC4=CC=CC=C43 1 2.845 3 1 -11.3345703551988 3407956 CC1=CC=C(C=C1)NC2C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C(=O)OC 1 4.052 2 4 -10.8089178405822 3407868 CC1=CC=C(C=C1)S(=O)(=O)N=S(C)C(C)C 1 2.593 1 2 -1.12645776132718 3407752 C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4 1 5.173 3 1 -4.82574995529869 3407698 CC(C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O 1 3.577 3 5 0 -19.691884302286 3407695 C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C(NC3=O)CC4=CNC5=CC=CC=C54 1 3.871 3 2 -1.23544002552492 3407594 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2F)C3=CC=C(C=C3)CC(=O)OC 1 4.689 1 4 -10.6848006123924 3407590 COC(=O)CC1=CC=C(C=C1)N(CC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)Br 1 4.951 1 4 -10.3194616669071 3407589 COC(=O)CC1=CC=C(C=C1)N(CC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.867 1 4 -8.86280192180561 3407405 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCCOC3=CC=CC=C3)[N+](=O)[O-] 1 2.918 2 6 0 -14.5560343571892 3407389 CC(C(=O)O)SCC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N 1 2.009 3 3 -12.1309332022008 3407137 COC1=C(C=C2CN(CCC2=C1)C(=O)CCN3C(=O)C4CCCCC4C3=O)OC 1 2.018 2 5 0 -19.8018734639212 3407081 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 1.627 4 8 0 -28.2308386969573 3407067 C1=CC(=CC=C1F)S(=O)(=O)NCCCCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.427 2 6 0 -19.4098082428298 3406873 CC(C)C1=NN=C(S1)NC(=O)CCCCCN2C(=O)C3C4CC(C3C2=O)C=C4 1 2.092 4 3 0 -15.1309183280854 3406872 CC1=NN=C(S1)NC(=O)CCCCCN2C(=O)C3C4CC(C3C2=O)C=C4 1 0.963 4 3 0 -15.9584232063469 3406871 C1C2C=CC1C3C2C(=O)N(C3=O)CCCCCC(=O)NC4=NC=CS4 1 1.226 3 3 0 -10.8236685532193 3406810 CCOC(=O)CSC1=NN(C(=S)S1)C 1 2.9 2 2 -12.0614555853319 3406748 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(SC4=CC=CC=C43)C(=O)OC 1 4.035 2 5 0 -15.2612704986519 3406660 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCS(=O)(=O)C3=C4C(=CC(=C3)Br)CCN4C(=O)C 1 1.482 4 5 0 -28.0986798605016 3406656 C1CCC(CC1)NC(=O)C2(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.497 1 3 -6.90046954049943 3406655 C1CCC(C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)N4CCCC4 1 2.624 3 5 0 -12.8874819639409 3406621 CC1=CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CN=CC=C3)C(=O)N1 1 -0.288 3 4 0 -19.1410274127103 3406543 CCC1=CC=CC2=C1NC=C2C(=O)CCl 1 3.338 1 1 -0.712562470705795 3406540 C1=CC(=CC(=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)Cl)C(=O)O 1 3.276 1 4 -4.63989423362987 3406527 CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)Cl)C4=CC=CC=C4 1 3.542 3 5 0 -11.9798214019339 3406523 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)N 1 1.206 3 2 0 -7.45762178939951 3406502 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-] 1 1.842 4 5 0 -15.6659060337812 3406493 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=C(COC3=CC=C(C=C3)Cl)N 1 2.972 4 3 0 -5.57793389754598 3406491 CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)CC(C(=O)OC)N3CC4=CC=CC=C4C3=O 1 4.662 1 5 -12.8051572019595 3406461 COC1=CC=CC=C1C=NNC(=O)C(=O)NC2=CC=CC=C2OC(C(F)F)(F)F 1 3.413 3 4 0 -9.17797381258838 3406439 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])OC 1 3.2 4 6 0 -15.2906539512968 3406363 CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3 1 0.336 4 5 0 -13.1378519208497 3406360 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)C3=CC=CO3 1 0.235 4 4 0 -11.06211403254 3406298 CC(C(=O)OCC(=O)NC1=C(C=C(C=N1)Cl)Cl)OC2=CC=C(C=C2)Cl 1 4.022 2 4 -5.86723560075557 3406152 CC1=C(C=C(C=C1)NC(=O)CCl)S(=O)(=O)N2CCCCCC2 1 2.459 2 3 -16.6772939409155 3406150 CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC5=C(C=C4)OC6=CC=CC=C65 1 5.004 1 3 -8.08907695186883 3406134 CC1CCN(CC1)C(C2=CC=C(C=C2)C)C3=C(N4C(=NC=N4)S3)O 1 4.179 4 1 -7.66120568912396 3406118 CC1=CSC2=NC=C(C(=O)N12)C(=O)N3CCCC4=CC=CC=C43 1 1.876 3 2 0 -15.1316563137664 3406106 CC1(CN1S(=O)(=O)C2=CC=CC=C2)CCl 1 1.664 1 2 0 -4.19099307297038 3406079 CC1=NC(=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5 1 1.49 2 2 0 -2.8309509193555 3406013 CC(C)C1C2CC=CC2C3=C(N1)C(=CC(=C3[N+](=O)[O-])Cl)O 1 3.917 2 3 2.34812054152301 3405952 CC1=CC(=CC=C1)NC(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)N5CCOCC5)N 1 4.458 4 2 -7.37112782822864 3405944 CCOC(=O)C1CCCC1=NNC(=O)CN(C2=C(C=CC(=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 2.645 3 7 0 -18.2909095988518 3405771 CC1=CC=C(O1)C=NNC(=O)CNC(=O)C2=CC=CS2 1 1.237 3 3 0 -14.0175708810934 3405663 CC1(N(C(CS1)C(=O)NC2=CC=C(C=C2)OC)C=O)C 1 0.788 2 3 0 -4.33202733883907 3405433 CC(C(=O)NN=C(C)C1=CC=CC=N1)OC2=CC=C(C=C2)[N+](=O)[O-] 1 2.155 4 4 0 -8.78681900153759 3405416 CC(=NNC(=O)C(=O)NC1CCCCC1)CC(=O)NC2=CC(=CC=C2)F 1 1.708 4 3 0 -9.34250753431492 3405387 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=C(C=C(C=C3)C)C 1 3.38 2 5 0 -13.53486855532 3405291 CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)OCC(=O)O)SC2=N1)C4=CC=C(C=C4)Cl)C(=O)NC5=CC=CC=C5 1 5.162 3 5 0 -29.4403496241901 3405198 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2OC3=CC=CC=C3)[N+](=O)[O-] 1 4.555 2 4 -8.97751213266763 3405110 CC(CCC1=CC=CC=C1)NC(=O)CC2=CC=C(C=C2)OC 1 3.794 1 2 -9.6265143018684 3405105 CN(C)CC(CN(C1=CC=CC=C1)C2=CC=CC=C2)O 1 3.213 2 1 0.269625656740248 3405087 C1CC1NC(=O)C2=CC=C(C=C2)C3N(C(=O)CS3)CC4=CC=CC=C4 1 2.943 2 2 -17.6383311719308 3405079 C1=CC=C2C(=C1)C(=NN=C2NN=CC3=CC=C(C=C3)Cl)C4=NC=CN4 1 3.546 6 0 -5.88767203084862 3405078 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)COC4=CC=CC=C4F 1 3.109 2 2 -0.510706242404674 3404832 CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCS(=O)(=O)C2)[N+](=O)[O-] 1 -0.327 2 9 0 -25.9908162899436 3404769 C1C2C=CC1C(C2C(=O)NCC3=CC(=C(C=C3)Cl)Cl)C(=O)O 1 2.828 1 3 -5.73306747058608 3404665 CC1=CC=CC=C1C2=NN=C(S2)NC(=O)CSCC(=O)OC 1 2.023 3 3 -13.5714782326298 3404615 CCOC(=O)N1CCC(=NNC2=C3C=CC(=CC3=NC=C2)Cl)CC1 1 3.046 4 2 -4.80777088679137 3404542 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C=C(C3=O)C#N)C(=O)C4=C(C=CC(=C4)Br)O 1 2.261 4 4 0 -10.5141508745231 3404517 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=COCCO3 1 1.769 3 4 0 -3.56810965279303 3404486 C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NCCC4=CC=CC=C4 1 3.541 1 3 -8.1209300254197 3404296 COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.109 3 6 0 -12.7290464115792 3404279 C1CCC(C1)NC(=O)C(C2=CC=C(C=C2)Cl)N(CC3=CC=C(C=C3)F)C(=O)CCl 1 4.746 2 2 -7.832368458193 3404196 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)CNC(=O)C3=CC(=CC(=C3)Cl)[N+](=O)[O-] 1 2.46 4 8 0 -28.652187962541 3404120 C1=CSC(=C1)CN2C(=O)C3=C(C=CC(=C3)Cl)NC2=S 1 4.13 2 1 -0.850753213683669 3404090 C1CN(CCN1CCO)C(=S)NC(=O)C23CC4CC(C2)CC(C4)C3 1 2.756 3 2 -6.31413743650789 3404081 CC1=CC2=C(C=C1)C(=CC(=S)N2)C 1 3.556 1 0 -1.58573311424049 3404071 CN1CC(C2(C13C4=CC=CC=C4NC3=O)C(=O)N(C(=S)S2)CC5=CC=CC=C5)C6=CC=CC=N6 1 4.085 4 2 -4.86393611032225 3404053 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N 1 2.292 2 3 -4.23840982707478 3403917 CC(=O)N1C2(CCCC2)SC(=N1)N 1 0.857 3 1 0 -4.57908175441276 3403874 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)CC3=C(C=CC=C3Cl)F)OC 1 3.974 2 5 0 -10.5079088038177 3403787 CC1(C2CCC1(C(C2)OCCNCCOC(=O)NC3=CC=CC=C3)C)C 1 3.398 2 3 8.17857207951088e-002 3403648 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)COC(=O)CC3=NNC(=O)C4=CC=CC=C43 1 3.276 3 5 0 -18.879227750473 3403647 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 0.675 4 4 0 -12.4016082777085 3403589 C1CCC2(CC1)C(=CC(=O)O2)NCC3=C(C=C(C=C3)Cl)Cl 1 4.25 1 2 0.365524169623488 3403559 CCCCNC(=S)NCC(C1=CC=CC=C1)C2=CNC3=CC=CC=C32 1 5.536 3 0 -11.10049748321 3403543 CC1=CC=CC2=C1N=C3CCCCCN3C2=O 1 2.689 2 1 -5.66614197533304 3403538 CC1CC2=C(S1)C(=O)N(C(=N2)SC)C 1 1.329 2 1 0 -5.87913331134658 3403514 CC(C)CNC1=NC(=NC(=N1)OC)OC2=NN(C(=O)C=C2)C3=CC=CC=C3 1 3.448 6 3 0 -8.44837290134687 3403512 CC(C)(C)NC1=NC(=NC(=N1)N2CCOCC2)OC3=NNC(=O)C=C3 1 0.651 7 3 0 -15.543236082918 3403438 COC1=CC=CC=C1NC(=S)NC2=CC=CC3=C2C=CN=C3 1 4.108 3 1 -5.88103063258307 3403385 CC(C)NCC1=NN=C(O1)C2=CC=C(C=C2)Cl 1 2.25 3 1 -1.50368479670766 3403355 C1CC2(CC3CC1CC(C3)C2)C(=O)NC(=S)N4CCOCC4 1 3.482 2 2 -10.8211523086352 3403326 CN1C(=NNC1=S)C2=C(C3=C(S2)C=C(C=N3)C(F)(F)F)C4=CC=CC=N4 1 4.271 5 0 0.550991081605361 3403325 CCOC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.5 1 6 0 -12.2814264923889 3403313 COC(=O)C1=C(C=CS1)NC(=O)CC2C(=O)NCCN2C(=O)NC3=CC=CC=C3 1 0.859 4 5 0 -30.0021920272526 3403289 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=C(C4=CC=CC=C4C(=C3)O)O 1 3.315 1 6 0 -17.4436877042092 3403204 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OC2CCOC2=O 1 0.319 1 6 0 -16.4142442078344 3403165 CCOC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C=C3)O)OC)OCC 1 3.46 1 4 -10.9326956462207 3403132 CN(CC1=CC(=CC=C1)OC)CC(=O)NC2=C(C3=C(S2)CCC3)C#N 1 3.115 3 2 -17.6843345010521 3403075 C1=CC=C(C=C1)CS(=O)(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.984 2 6 0 -16.7664381590733 3403053 CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NC34CC5CC(C3)CC(C5)C4 1 -0.424 5 4 0 -11.1258894925862 3403035 CC12CCC(=NO)CC1CCC3C2CCC4(C3CCC4O)C 1 3.369 1 2 -8.96045493766247 3402883 CS(=O)(=O)NNC(=O)C1CC2=C(O1)C=CC3=CC=CC=C23 1 0.951 2 4 0 -5.20580987737436 3402760 CC1=C(C(=NO1)C)C(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.433 1 3 -8.31203202620325 3402756 CC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SC(C)C(=O)NN=CC4=CC=C(O4)C 1 4.861 6 2 0 -12.5600013545289 3402745 CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CS3 1 3.226 2 2 -17.4003275820719 3402737 C1C(=NN(C1(C(F)F)O)C(=O)C2=CC=C(O2)COC3=CC4=CC=CC=C4C=C3)C(F)F 1 3.829 2 4 -2.0908337034665 3402653 CC1=CC=CC(=N1)C2NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.948 5 4 0 -11.9591943373814 3402621 CCC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3 1 2.527 3 4 0 -11.5662753230446 3402579 CC1(CC1(Cl)Cl)C(=O)OCC(=O)NC2=CC=CC=C2Cl 1 2.733 1 3 -5.01437481507028 3402483 CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)Br)CSC(=S)NC2CCS(=O)(=O)C2 1 6.309 1 2 -6.07582095445113 3402414 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=NNC(=O)CC2)N 1 -2.067 5 6 0 -28.9709870752605 3402344 C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N 1 2.096 1 7 0 -19.8592349768364 3402171 CC(=NNC1=C(C=C(C=C1)F)F)C2=CC=CS2 1 3.793 2 0 -2.36950333359956 3402169 CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NCC3CCCO3 1 2.258 2 6 0 -20.3679751518466 3401998 CCOC1=CC=CC=C1NC(=O)NC(=O)N(C)S(=O)(=O)C2=CC=C(C=C2)C 1 2.902 3 5 0 -5.64152691709341 3401926 CC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl 1 3.04 2 3 -4.44135662672444 3401824 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CNC(=O)C=C3 1 0.648 3 6 0 -27.8516260090181 3401729 CC1=C(C(=NN1)NNC(=O)C2=CC=CC=C2)[N+](=O)[O-] 1 1.022 5 3 0 -2.82367781086468 3401684 CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NCC3=CN=CC=C3)C(C)C 1 2.422 3 2 -15.0735978588342 3401414 CC1=C(C=C2C(=C1)C(=CC(=O)N2)COC)NC(=O)C3CC3 1 1.381 2 3 0 -10.7888463967005 3401411 COC(=O)CC(=O)C(=NNC1=CC=CC(=C1)C(F)(F)F)C(=O)OC 1 2.611 2 5 0 2.07532832199995 3401387 CCCC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)F 1 2.91 2 2 -22.1173762030724 3401245 CC1(C2CC=C(C1C2)C=NNC(=O)C3CC3)C 1 2.225 2 1 -1.14602675881088 3401187 C1=CC=NC(=C1)C(C2=C(NC(=S)NC2=O)O)C3=C(NC(=S)NC3=O)O 1 1.459 5 4 0 -7.58619307251181 3401167 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-] 1 2.553 6 5 0 -27.6192752360768 3401066 CC1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C=NNC(=O)N 1 2.911 3 3 -5.82832250162559 3401052 CC(C)CCN(C(C)C1=CC=NC=C1)C(=S)NC2=CC(=CC=C2)SC 1 5.98 3 0 -4.29725909238572 3401050 CC1=C(C(=CC=C1)NC(=S)N(CCOC)C(C)C2=CC=CO2)C 1 5.139 2 2 -7.37782501330397 3401049 CC1=C(C=CC=C1Cl)NC(=S)N(CCOC)C(C)C2=CC=CO2 1 5.317 2 2 -7.12814527007644 3401048 CC1(CC1(Cl)Cl)C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 2.982 1 3 -1.36883494542204 3401039 C1=CC=C(C=C1)C(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 2.963 1 4 -7.85972303320889 3401038 CC1C(=O)N(C2=CC=CC=C2N1C(=O)C3=C(C=CC=C3F)F)CC4=CC=CC=C4F 1 4.517 2 2 -8.44204840069313 3401037 CN1C=CC=C1C(C#N)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.714 3 0 2.87804157517091 3400971 CC1=CC(=C(C=C1)C)NC(=S)N(C2CCCCC2)C(C)C3=CN=CC=C3 1 6.689 3 0 -9.58300487197399 3400970 CCC1=CC=C(C=C1)NC(=O)N(CCOC)C2CCN(CC2)C(=O)C 1 1.334 3 3 0 -7.11615187035352 3400966 CCC1=CC=C(C=C1)NC(=S)N(CCOC)C2CCN(CC2)C(=O)C 1 3.23 3 2 -11.5646233364906 3400837 CC1CN(CCN1C(=S)NC2=CC=CC=C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F 1 5.06 4 4 0 -11.1831242958601 3400758 CC1=CC=C(C=C1)N2C(=O)CCC2(C#N)C3=CC=CC=C3 1 3.31 2 1 -3.79633135578226 3400701 CC1=C(C(=NC2=C(C=NN12)C(=O)N3CCOCC3)C)CC4=CC=C(C=C4)Cl 1 2.409 4 2 -14.9770629778185 3400699 CC1=C(C(=NC2=C(C=NN12)C(=O)N3CCN(CC3)C)C)CC4=CC=C(C=C4)Cl 1 2.678 5 1 -10.6517301531741 3400678 C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])N)O 1 2.285 3 3 2.52537080212258 3400595 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)C2=CC(=CN=C2)Br 1 0.917 3 3 0 -9.75897751018825 3400588 CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)NN=CC3=CC=C(C=C3)N(C)C 1 4.581 4 1 6.52350255751211e-003 3400547 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)C(NC(C4)(C)C)(C)C)C#N 1 2.674 5 5 0 -41.3232767982472 3400486 C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.047 3 5 0 -27.9026144207236 3400359 C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])NN=C3CN4CCC3CC4 1 2.585 5 2 0 0.467122958839197 3400335 C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F)[N+](=O)[O-] 1 4.541 5 4 0 -1.51681963044175 3400326 CCCC(=O)NC1=NC(=O)C2=C(N1)CCCC2 1 1.724 3 2 0 -19.837778463719 3400316 CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)NC4=C3CCCC4 1 5.648 2 3 -6.59191146748469 3400251 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)C 1 2.618 2 4 -9.71270235720798 3400247 CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)SC4=CC=C(C=C4)NC(=O)C 1 4.099 2 4 -14.3957959259727 3400144 COC1=C(C=C(C=C1)C(=O)NN=C(CC2=CC=CC=C2)CC3=CC=CC=C3)OC 1 4.355 2 3 -10.8526640361653 3400111 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)COC3=CC=CC=C3)C4=CC=CC=C4 1 2.632 8 3 0 -28.4426450887633 3400110 COC1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC4=C(C=C3)C5=CC=CC=C5O4 1 4.295 4 4 0 -22.5290260000136 3399965 CC(=NNC(=O)CC1=CC=CC=C1)CC(=O)NCC2=CC=C(C=C2)Cl 1 2.661 3 2 -9.30399570991836 3399963 CC1=C(C2=CC=CC=C2N1)C3C(=NN=C(N3O)C(C)C)C4=CC=CC=C4 1 4.246 4 1 0.465214150233097 3399880 CC(C(=O)O)SC1=NC2=C(CCCCC2)C=C1C#N 1 3.581 2 2 -14.1524615129326 3399833 CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OCC(=O)N(C)C2=CC=CC=C2 1 2.26 2 5 0 -15.8208658728845 3399623 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC(=C(C=C4)Cl)Cl 1 2.871 5 4 0 -26.1741350071578 3399627 CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=O)CC(C)(C)C 1 3.214 2 2 -15.3184679450345 3399533 CCN(CC)C1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 3.14 4 4 0 -8.78769119495843 3399509 CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4 1 3.249 2 3 -14.2309761740185 3399497 C1COCCN1CCCNC2=NC(=C(C(=N2)NC3=CC=CC=C3F)[N+](=O)[O-])N 1 1.141 7 3 0 -0.980418169735648 3399311 CCN(CC)C(=O)C1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.353 6 6 0 -12.736187069218 3399308 C1C(OC2=CC=CC=C2O1)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4Cl 1 4.192 3 3 -15.489860484967 3399189 CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N(C)CC3=CC=CC=C3 1 2.555 3 3 -2.29054478436104 3399165 CC1=C(C=C(N1CCC(=O)NC2CCCCCC2)C3=CC=CC=C3)C(=O)C 1 4.447 2 2 -10.9295428299153 3399159 CC1=C(C=C(N1CCC(=O)NC2CCCCCCC2)C3=CC=CC=C3)C(=O)C 1 4.903 2 2 -10.9295428299153 3399068 CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC=C(C=C3)F 1 2.305 2 5 0 -21.3520628478356 3398952 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(O2)Br 1 2.099 2 6 0 -20.1652411117606 3398889 CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)CN3CCN(CC3)C4CCCCC4)C)C 1 3.604 4 4 0 -6.2619025362391 3398837 CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NCC2=CC=CO2 1 3.689 2 2 -15.7841943534634 3398784 CC(C1=CC=CC=C1)SC2=NCCN2S(=O)(=O)C 1 2.395 2 2 -11.0207928399808 3398719 CC12C(C(C3=C(O1)C=CC(=C3)OC)NC(=S)N2)C(=O)NC4=CC=C(C=C4)Cl 1 3.473 3 3 -2.8615896631614 3398706 CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CC=NC=C4 1 3.118 3 5 0 -4.61761794936683 3398598 CC1=C(C(=CC=C1)C)OCC(CN2C=CN=C2C)O 1 2.277 2 2 -0.422745146825293 3398404 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(F)(F)F)NC(=O)C3=CC=C(C=C3)C#N 1 3.062 3 4 0 -23.2342709377164 3398336 C1CCC2=NN=C(N2CC1)CNC3=CC=C(C=C3)F 1 2.619 4 0 -9.56460145543064 3398226 CC(=O)NC1=C(C=CC(=C1)C(=O)NCC2=CC=CO2)SC3=CC=C(C=C3)Cl 1 3.706 2 3 -9.64951308036876 3397993 CC1=C(SC(=C1C(=O)N)NC(=O)C2CCCO2)C 1 0.703 2 3 0 -16.2957429694741 3397882 COC1=CC=CC(=C1O)CNC2=CC=CC(=C2)C(F)(F)F 1 3.906 1 2 6.66719167972514 3397869 CCOC(=O)C(=NC1CCS(=O)(=O)C1)NNC2=CC=C(C=C2)Br 1 1.839 3 4 0 -5.84583327303956 3397589 CC1(C(C(NC(C1[N+](=O)[O-])C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)[N+](=O)[O-])C 1 5.347 3 4 0 2.02259878178874 3397535 CC1=CC2=C(C=C1)C=C(C3=NN=NN23)CN(CC4=CC=CO4)C(=O)C5=CC=CO5 1 2.602 5 3 0 -12.5600025454881 3397365 CC1=CC=CC(=C1)C(=O)NC2=NN=C(O2)C3=CC=NC=C3 1 1.791 4 2 0 -2.25213724178146 3397231 CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1COC3=CC=C(C=C3)OC 1 3.848 2 4 -5.59459851239806 3397067 CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54 1 4.563 3 5 0 -27.4814169275311 3396881 CC1=CC=C(C=C1)CNC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.278 2 3 -18.8911185510597 3396880 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC2)C(=O)NCC3=CC=C(C=C3)F 1 2.998 2 3 -17.3529225833769 3396878 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC2)C(=O)NC3CC3 1 1.698 2 3 0 -18.8797374201249 3396862 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-] 1 3.733 3 4 0 -10.6131873527995 3396804 C1COCCN1CCC2=CN3C(=C(C=N3)C4=CC=C(C=C4)F)N=C2C5=CC=C(C=C5)F 1 4.061 4 1 3.34847604118221 3396774 C1CC1NC(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=C(C=C4)Cl 1 4.298 2 1 -8.5020107548492 3396670 C1CN2CC3CN1CC(C2)(C3=NNC(=S)NC4=CC=CC=C4)C5=CC=CC=C5 1 3.628 5 0 -7.77545288916895 3396611 CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=S)NCCN3CCOCC3 1 4.215 3 1 -10.1259482453155 3396597 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.96 3 4 0 -9.57077156847514 3396520 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2O)CN4CCOCC4 1 2.206 3 4 0 -6.8384813117251 3396519 CC1=CC(=NN1CC2=NNC(=S)N2CC3=CC=CC=C3)C 1 2.615 5 0 -10.482699669246 3396518 C1C2CC3(CC1CC(C2)(C3)N4N=CN=N4)C(=O)NN 1 0.258 6 1 0 -3.7418996267707 3396443 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=C(C(=CC=C2)Cl)Cl)C 1 3.947 2 4 -7.92991859301409 3396182 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C(=O)CN(C3=O)C 1 0.408 4 5 0 -25.4907660851023 3396138 CC(C)NC(=O)NC(=O)COC(=O)C1=C2CCCC2=NC3=CC=CC=C31 1 2.501 3 4 0 -13.6084185987054 3396131 C1=CC=C(C=C1)CNC(=S)NCCCCNC(=S)NCC2=CC=CC=C2 1 4.943 4 0 -10.8554399225914 3396094 CCN1C=C(C2=CC=CC=C21)C(=O)NP(=O)(NC3=CC=C(C=C3)C)NC4=CC=C(C=C4)C 1 4.688 4 2 -4.98352369814817 3395957 CCOC1=C(C=C(C=C1)C=NNC2=NC(=O)NN=C2C)OC 1 1.307 5 3 0 -16.5727987944878 3395929 CCC1=CC=CC=C1N(C2=NC(=CS2)CCl)C(=O)C 1 3.487 2 1 -4.67929264357228 3395923 CC1CN(CCN1C(=S)NC2=CC=C(C=C2)F)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F 1 5.266 4 4 0 -10.8380711884094 3395804 CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CS3)C 1 4.966 1 3 -16.8551434431531 3395781 CN1C(C2=C(C1=O)OC3=CC=CC=C3C2=O)C4=CN=CC=C4 1 1.207 2 3 0 -5.44444421927223 3395682 CC1=C(N=C(N=C1C)SCC(=O)NC2=CC3=C(C=C2)OCCO3)C 1 2.587 3 3 -12.4615067274512 3395677 CCN(C1CCS(=O)(=O)C1)C(=O)COC2=C(N=CC=C2)[N+](=O)[O-] 1 0.218 3 6 0 -18.1002875982468 3395649 CC(C1=CC=NC=C1)N(CCCOC)C(=S)NC2=CC(=CC=C2)Cl 1 4.454 3 1 -3.22602212498448 3395602 COC1=CC=CC(=C1)CNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O 1 2.854 2 4 -11.034944948014 3395567 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NN=CN2C3=CC=CC=C3OC 1 2.284 5 3 0 -16.6138383035965 3395499 C1CCC(C1)NC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O 1 2.689 2 3 -9.14421938339593 3395368 C=CCN(CC=C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N 1 3.593 3 4 0 -24.3019682828129 3395275 C1=CC=C(C=C1)NC2=NC(=O)C3=C2C(=CC=C3)[N+](=O)[O-] 1 2.388 3 3 -2.76026041556873 3395251 CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC(=CC=C4)Br 1 3.056 9 2 0 -28.0509400000033 3395243 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NNC(=O)C3=CC=CS3 1 2.491 2 3 -4.44170116114919 3395242 C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=O)C3=CC=CS3)O 1 2.491 2 3 -2.62340502987917 3395241 C1=CSC(=C1)C(=O)NNC(=O)C2=C(C=CC(=C2)Cl)O 1 2.247 2 3 -0.505275811201379 3395222 CCOC(=O)C(=NC1CCS(=O)(=O)C1)NNC2=C(C=CC(=C2)Cl)Cl 1 2.419 3 4 0 -4.75806502142917 3395173 CC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)N(C)CC3CCCO3)C 1 4.49 3 1 -15.2382826818333 3395163 CSCCC(C(=O)OCC(=O)C1=CC2=CC=CC=C2O1)NC(=O)COC3=CC=CC=C3 1 3.243 1 6 0 -14.9953695747398 3395065 CC1=NC(=C(C=C1)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C)[N+](=O)[O-] 1 3.159 3 4 0 -7.97204825929003 3394863 CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C(=CC4=CC=C(C=C4)OCC(=O)O)S2)C 1 3.868 2 9 0 -35.8989813353238 3394798 CCC(C)NC(=O)CCN1C(=C(C=C1C2=CC=CC=C2)C(=O)C)C 1 3.382 2 2 -17.7542110267959 3394744 C1CC(OC1)CNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 1.85 3 6 0 -30.5504861520496 3394480 CCOC1=CC=C(C=C1)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-] 1 3.176 4 4 0 1.72554099880607 3394424 COC(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)CC3=CC=CC=C3 1 3.101 1 3 -13.7406695560186 3394345 CCCCCCC(=O)NN=C(C)CC1=CC=CC=C1 1 3.516 2 1 -11.1076391218094 3394130 CC(=NNC(=O)CCC(=O)NC1=CC=CC=C1)C2=CC=CS2 1 1.953 3 2 0 -12.5885003228098 3394125 CC(C)C(C(=O)OCC(=O)NC1CC1)NC(=O)OCC2=CC=CC=C2 1 2.184 2 5 0 -19.5978904192371 3393695 CN1C=CC(=N1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O 1 2.497 5 4 0 -8.13075308116911 3393684 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.736 5 6 0 -16.8924841823339 3393623 C1CCN(CC1)C2=CC(=O)C(=O)C3=CC=CC=C32 1 2.436 1 2 0.214406646386475 3393559 CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2CC=C)C(C(C)C)NC(=O)C3=CC=CC=C3 1 3.328 6 2 0 -25.1906517972671 3393451 C1=CC=C(C=C1)C2=NN(C=C2C=NNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])C4=CC=CC=C4 1 4.221 6 4 0 3.70441776200781 3393369 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=CC=CC=C3N2CCOC)N 1 1.061 5 4 0 -20.9732267439572 3393337 CCCCC(=O)NC1=CC=CC=C1OC2=CC=CC=C2 1 4.089 1 2 -8.98541781531749 3393262 CC1=C(C=CC(=C1)Cl)OCC(=O)NN=CC2=CC=NC=C2 1 2.518 3 2 -1.31824824222249 3393241 CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3N=C2 1 4.437 2 0 4.50596149078671 3393240 CCCCNC1=NC(=C(C=C1C#N)C(=O)OCC)C2=CC=CC=C2 1 3.913 3 2 -4.18332359451631 3393239 COC(=O)C1CC(=O)N(C1)CCC2=CNC3=CC=CC=C32 1 1.578 2 3 0 -12.480786816797 3392862 CCC(C(=O)O)NC(=O)CCC1=C(C2=C(C=C3C(=C2)C(=CO3)C4=CC=CC=C4)OC1=O)C 1 4.316 1 6 0 -18.1657611310281 3392731 CC(C)(C(=O)O)SC1=CC=C(C=C1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3 1 7.647 2 3 -4.1870901357307 3392664 CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)O 1 2.782 1 2 -4.64242511438004 3392541 CC1=NN(C(=O)C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 1 2.398 3 4 0 2.83956811878672 3392444 CC1=CC(=C(C=C1)C)OCC2=CC=C(O2)C(=O)N3C(CC(=N3)C(F)F)(C(F)F)O 1 3.894 2 4 -4.00978786669351 3392370 C1CC1C2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5 1 1.164 4 4 0 -11.4258431124303 3392227 COC1=C(C=C(C=C1)C=NC2=C(C=C(O2)C3=CC=CC=C3)C#N)OC 1 4.31 2 3 0.902500615586874 3392194 CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C 1 4.427 1 6 0 -11.2819906197309 3392178 C1=CC=C(C=C1)NC(=O)CC2=CC=CC3=CC=CC=C32 1 3.557 1 1 -4.38451817152367 3392161 CNC1=NC(=C(C(=N1)NC2=CC(=CC=C2)Cl)[N+](=O)[O-])N 1 1.711 6 2 0 2.39471258073583 3392078 COC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=CC=CC=N3 1 2.59 3 3 0.351774724471378 3391885 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)C 1 4.81 1 6 0 -13.2263269530823 3391826 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3CCCCC3=O 1 2.604 1 5 -23.0755023694994 3391629 C1=CC=C2C(=C1)C=CC=C2NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-] 1 2.641 3 4 0 -8.17715631817395 3391512 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3C 1 1.908 4 3 0 -24.4381613407126 3391423 CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C(C)CC)NC(=O)N 1 1.603 5 5 0 -27.4894038463387 3391361 CC12CCC(=O)N1C(CS2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N(C)C 1 0.407 3 6 0 -14.7642375572355 3391346 CC(=NOC(=O)C1CC1)C2CC2C3=CC=C(C=C3)F 1 2.791 1 2 -4.81387994701605 3391344 CCC1=CC(=O)N=C(N1)N2C(=O)C=C(N2)C3=CC=CC=C3 1 1.367 4 2 0 -3.26266389661762 3391212 CC1=CC=C(C=C1)NC(=O)COCC(=O)NC2=CC=C(C=C2)C 1 2.295 2 3 -5.14164502261354 3391174 C1=CC=C(C(=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=CC=CC=C3Cl)Cl 1 4.028 2 6 0 -8.22806759018225 3391142 CC1=CN2C(=NC(=N2)N)N=C1C3=CC(=C(C=C3)OC)F 1 2.637 5 1 2.14255829846156 3391076 CC1=C(C(=CC=C1)C)N2C(=NN(C2=O)C3=C(C=C(C=N3)C(F)(F)F)Cl)C 1 4.742 4 1 -0.755678209536999 3391041 CN(C)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)[N+](=O)[O-] 1 2.92 2 5 0 -7.38806875703799 3390971 CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3)C4=CC=C(C=C4)N5CCOCC5 1 3.496 5 2 0 -8.8064515734503 3390904 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)OC(=O)C 1 4.37 1 4 -2.7549194598448 3390903 CCC(CC)C(=O)OCC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)OC 1 1.487 2 7 0 -29.3605644491546 3390877 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4 1 2.238 2 5 0 -30.0484824779451 3390712 CC1CCCCC1NC(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl 1 4.565 1 5 -11.3422131119781 3390694 C1CS(=O)(=O)CC1NC2=NC=NC(=C2[N+](=O)[O-])N 1 -0.879 5 4 0 -10.7944724582719 3390643 C1=CC=C(C=C1)C2=C(C3=CC4=CC=CC=C4OC3=C2)C=O 1 4.611 0 2 3.77165109284442 3390640 C1COCCN1CC(=O)NCCC23CC4CC(C2)CC(C4)C3 1 1.863 2 2 0 -8.28447909049446 3390606 CC1=CC(=C(C=C1)NC(=S)N(CCN(C)C)CC2=CC=CS2)C 1 5.482 3 0 -10.8350681228799 3390598 CC1=CC=C(C=C1)CNC(=O)CC2=NN3C(=CC(=NC3=N2)C)C 1 2.22 5 1 -15.4699266422199 3390597 CC1=CC(=NC2=NC(=NN12)CC(=O)NCC3=CC=CC=C3Cl)C 1 2.398 5 1 -16.6452694783695 3390595 CC1=CC(=NC2=NC(=NN12)CC(=O)NCC3=CC=C(C=C3)F)C 1 1.939 5 1 0 -14.5697530224208 3390590 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NCC=C)F)C(=O)O 1 3.32 4 3 0 -14.3495275665387 3390551 CC1=CC2=C(C=C1)OC(=N2)N=C(N)NC(=O)C(C)(C)C 1 2.238 4 2 -4.07093091804806 3390435 C1COC2=C(O1)C=CC(=C2)N3C(=O)CC(C3=O)NNC(=O)C4=CC=C(C=C4)Cl 1 1.692 3 5 0 -7.68917102306101 3390303 CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CC(=C(C=C5)OC)OC)C(=O)C1)C 1 5.081 4 3 0 -31.3942325250864 3390188 CC1=CC(=CC=C1)NC2=CC(=NS(=O)(=O)C3=CC=CS3)C4=CC=CC=C4C2=O 1 4.532 2 3 1.69925001971461 3390180 CC(C)COP(=O)(CNC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O)OCC(C)C 1 1.304 2 7 0 -9.32512386125175 3390135 CCC1CCC(CC1)C(=O)NC(C(C)C)C(=O)NCCN2CCOCC2 1 2.421 3 3 -25.5518230928366 3390011 C1C2C3C(C1C(C2OC3=O)Cl)C(=O)O 1 0.501 0 4 0 -5.86386157411402 3389829 CC(=NNC(=O)CC(=O)NN=C(C)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-] 1 1.803 6 6 0 -8.83572273995807 3389771 COC1=NN=NC2=C1SC3=NC(=C4CCCCC4=C23)N5CCOCC5 1 3.359 5 2 0 -9.7757797723442 3389621 COC(=O)C1=C(C=CS1)NC(=S)N2CCN(CC2)C3=CC=CC=C3F 1 4.691 3 2 -9.78180694264033 3389590 C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(=O)O 1 0.81 6 4 0 -6.73345752575641 3389518 CC(C)NC(=S)NN=C(C)C1=CC=CC=C1OC(F)F 1 3.743 3 1 -11.1896590374384 3389416 C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 2.073 1 5 -10.9252150927314 3389213 CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C=CS4)C 1 3.588 8 3 0 -22.9521126028371 3389110 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 5.158 4 4 0 -28.7496810479169 3388975 CCSCC1=C(N2C=CC=CC2=N1)Br 1 2.665 2 0 -3.25537105533403 3388857 COC1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=CC=C2Cl 1 2.219 2 3 -2.00435857395186 3388756 CC(C)CCNC=C1C(=O)CC(CC1=O)C2=CC=CC=C2 1 2.575 1 2 -14.4871736156795 3388716 C1=CC(=C(N=C1)[N+](=O)[O-])OCC2=CC=C(C=C2)C#N 1 2.558 3 3 -4.1043602875523 3388683 CC1=CC=C(C=C1)CNC(=O)C2=C(OC(=O)C=C2C)C 1 2.521 1 3 -10.9773186245231 3388619 CC1(CC2=C(CO1)C(=NC(=N2)C3=CC=CC=C3)SCC(CO)O)C 1 2.305 2 3 -5.81635683862237 3388614 CCCC(=O)C1=CNC(=C1)C(=O)N2CCOCC2 1 1.179 2 3 0 -9.3752457850668 3388488 COC1=CC=CC=C1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.211 2 4 -21.2941875495965 3388450 COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)OC)OC)S2)CC(=O)OC 1 3.471 2 6 0 -12.4744424263932 3388388 C1=CC(=CC=C1C(=O)CCSC2=CC=C(C=C2)Br)O 1 4.382 0 2 2.09531354776521 3387887 C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)NCC3CCCO3 1 1.593 4 3 0 -21.3079269053617 3387885 CC1(CCS(=O)(=O)C1)NC(=S)NN(C)C 1 1.3e-002 3 2 0 -11.5194639658795 3387813 CC1CC(=O)C(C(=O)C1)C2C3=CC=CC=C3CCN2C(=O)CCl 1 2.093 1 3 -10.4437958961459 3387640 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=CC=CC=C4C=C3 1 3.187 3 4 0 -14.6163040373582 3387618 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CSC(=N3)N=C(N)N 1 0.225 5 2 0 -2.39907853247034 3387581 CC(C1=CN=CC=C1)N(CCN(C)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.43 4 1 -4.89799513607446 3387579 CCC1=CC=CC=C1NC(=S)N(CCN(C)C)C(C)C2=CN=CC=C2 1 4.939 4 0 -10.5989851664062 3387577 CCC1=C(C(=CC=C1)CC)NC(=S)N(CCN(C)C)C(C)C2=CN=CC=C2 1 5.882 4 0 -9.85234004118374 3387575 CC1=CC(=CC(=C1)NC(=S)N(CCN(C)C)C(C)C2=CN=CC=C2)C 1 4.969 4 0 -9.63992557918021 3387571 CC(C1=CN=CC=C1)N(CCN(C)C)C(=S)NC2=CC(=CC=C2)OC 1 3.98 4 1 -9.4048166213314 3387322 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(O2)Br 1 1.402 2 6 0 -15.7233519609286 3387220 CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4CCCCC4 1 3.503 8 3 0 -25.1457892277292 3387141 CC(=O)N1CCN(CC1)C(=O)CC2C3=CC=CC=C3C(=O)O2 1 0.198 2 4 0 -12.905518543897 3387132 CC1=C(C=CC(=C1)OCC(CN)O)Cl 1 1.624 1 2 0 -0.819483736182387 3387038 COCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2 1 1.539 6 3 0 -3.17294100741988 3386907 C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl 1 2.103 2 4 -23.3147127600169 3386822 CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CN=CC=C3)NC4=CC=CC(=C4)C(F)(F)F 1 4.853 3 1 0.935955892869476 3386810 CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5 1 4.039 5 2 0 -19.4132171293884 3386722 CN1CCN(CC1)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC(=C4C=CC=NC4=C3O)Cl 1 5.024 3 1 8.17099998168575 3386562 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-] 1 2.276 4 4 0 -10.2612999188248 3386501 C1C2CC3CC1CC(C2)(C3)C(=O)NN=CC4=CC=NC=C4 1 2.424 3 1 -6.54710863337346 3386473 CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 2.815 2 2 -16.6404127302468 3386446 CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CC=N2)S(=O)(=O)N3CCCCC3 1 2.27 4 3 0 -20.7146829836879 3386436 CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.032 2 5 0 -10.7218885087866 3386315 CC1CC(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C 1 2.441 2 3 -13.6375341149796 3386299 CCOC(=O)C1C(N=C(NC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 3.473 2 3 -6.23937250776754 3386297 CC1=NN(C(=O)N1N(C)C2=C(C=C(C=N2)C(F)(F)F)Cl)C 1 2.421 5 1 -1.01477212057062 3386270 C1=CC(=CC=C1SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=COC=C4)Cl 1 2.978 8 3 0 -24.3118971002131 3386254 C1=CC(=CC=C1C=NNC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)O 1 4.073 3 2 4.80864568527943 3386179 CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=C4F)C(=O)N(C)C5CCCCC5 1 5.698 5 1 -5.24072325493601 3386123 CCC1=CC=C(C=C1)NC(=O)CC2C3=C(NC2=O)N(C(=O)N(C3=O)C)C 1 0.769 4 4 0 -18.876239619513 3386009 CC1=CC(=NC(=N1)N2CCOCC2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 2.078 4 4 0 -2.84106861096249 3385813 C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)O 1 0.5 2 4 0 -12.9436505800385 3385710 CC1=CC=CC=C1N2C(=O)CC(C2=O)NC3=CC=C(C=C3)C(=O)OC 1 2.676 2 4 -12.3441401683401 3385684 CN(C)C1=CC=C(C=C1)C2CC(=NC3=NC(=CN23)C4=CC=CC=C4)C5=CC=CC=C5 1 5.697 4 0 -0.80499767789817 3385586 CCC(C)NC(=O)CSC1=NC=NC2=C1C=CS2 1 2.502 3 1 -20.0573903894142 3385464 C1=CC(=C(N=C1)[N+](=O)[O-])OCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F 1 3.535 3 6 0 -9.67726628629468 3385426 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3CCCCCC3 1 2.899 6 3 0 -26.9291355650188 3385342 CC(C(C1=CC=CC=C1)N2CCOCC2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.656 4 4 0 -9.92436146614791 3385328 C1COCCN1CCNC(=S)NN=CC2=CC=CS2 1 2.011 4 1 -11.2738014091786 3385216 C1CC(=O)N(C1)CC(CS(=O)(=O)CC2=C(C=C(C=C2)Cl)Cl)O 1 1.834 1 4 0 -10.3377948000495 3385214 C1=CC(=CC=C1C(=O)C2=CNC(=C2)C(=O)NCCCN3C=CN=C3)C(F)(F)F 1 2.573 4 2 -0.320588569047379 3385209 CCCC1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)C 1 3.577 2 2 -14.2891930320929 3385200 CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4CCCCC4)NC1=S 1 4.244 4 2 -6.46167155956962 3385108 C1CC2(CC3=CC=CC=C31)C(=O)N(C(=O)N2)CCOC4=CC(=CC=C4)Cl 1 3.876 2 3 -0.384787328461201 3385093 CCCCCC(=O)NN=C1CCN(CC1)CC2=CC=CC=C2 1 3.133 3 1 -9.24989059760521 3384953 COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2N3C(=O)C4C5C=CC(C4C3=O)C6C5C6 1 2.587 2 4 -6.46189457772192 3384941 C1C2=CC=CC=C2C(=O)N1C(CC3=CC=C(C=C3)C#N)C(=O)O 1 2.398 2 3 -9.0190240031267 3384939 CC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C 1 1.988 4 1 0 -2.69728130474072 3384741 CN1C2C(N=C(N2)SC)N(C1=O)C 1 0.472 4 1 0 -6.73515956795682 3384730 CCN1CCN(CC1)C(C2=CC=C(C=C2)C(F)(F)F)C3=C(C4=C(C=CC=N4)C=C3)O 1 4.708 3 1 4.53330900874987 3384729 CCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)C)Cl 1 2.228 3 5 0 -11.3651306337336 3384670 CCCN1C(C(=O)N(CC1=O)C2CCCCCC2)C3=CC=C(C=C3)C 1 3.923 2 2 -7.90004922693881 3384365 CC1=CC(=CC=C1)NCC2=NC(=NO2)C3=CC=CC=C3 1 3.291 3 1 5.76011369871309 3384302 CC1=C(N=C(N=C1C)SC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C 1 2.379 5 2 0 -15.7947228111551 3384175 CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3 1 3.236 3 3 -21.3168626384056 3384009 CC1=CC=C(C=C1)NC2=C(C(C(C(=C2)C)C(=O)OC)C3=CC=C(C=C3)F)C(=O)OC 1 4.585 1 4 -7.32608968570632 3383947 CC1=CC=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)OCO3)N(C)C(=O)CC4=CNC5=CC=CC=C54 1 4.181 3 4 0 -10.5943873822213 3383995 CC1=C(C(=NC(=N1)C)NN=CC2=CC=C(C=C2)F)CC=C 1 3.023 4 0 -4.19534878474273 3383881 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=C3)C4=CN=CC=C4 1 2.04 9 2 0 -27.2057268622171 3383797 CC1CCC2=C(C1)SC3=NC(=NC(=C23)N4CCC5=CC(=C(C=C5C4)OC)OC)CN6CCOCC6 1 4.723 4 3 0 -14.5679270314194 3383731 COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCSC)C(=O)OCC(=O)NC(=O)C2CCCCC2 1 2.477 2 8 0 -24.1647561806014 3383648 CC(=NNC(=O)OCC1=CC=C(C=C1)OC)CC(=O)NCC2=CC=C(C=C2)Cl 1 3.172 3 4 0 -9.82224995978808 3383641 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2CCCO2)C3=CC(=CC=C3)Br 1 1.243 3 4 0 -14.6003578418335 3383638 CC(C)C(C(=O)OCC(=O)NCC1=CC=CO1)NS(=O)(=O)C2=CC=CC=C2F 1 1.806 2 6 0 -27.1789300452494 3383621 CC(C=NNC(=O)C1=CC=CC=C1F)C2=CC=CC=C2 1 3.278 2 1 -8.08018979777375 3383504 CC1=CC=C(C=C1)C(C2=CC=NC=C2)O 1 2.173 1 1 -0.630172194527756 3383483 C1=CC(=CC(=C1)O)C=NNC2=CC=C(C=C2)[N+](=O)[O-] 1 3.101 3 3 1.68839268085031 3383447 COC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4 1 1.768 3 7 0 -23.8189107626154 3383442 CCCCN(C)C1=NC(=C2COC(CC2=C1C#N)(C)C)C3=CC=CO3 1 3.771 3 2 -7.52307054719412 3383369 CC1=CC=C(C=C1)C(=O)NC2(C(=O)N(C(=O)N2)C3=CC=C(C=C3)Cl)C(F)(F)F 1 4.028 3 3 -3.92133481031613 3383184 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)N2CCC3=CC=CC=C32 1 4.398 3 2 -18.3364428176187 3383161 CCC1=CC=C(C=C1)N2CC3=CC=CC=C3C2 1 4.271 1 0 1.2337892857243 3383129 CC1=C(C=C(C=C1)C(C(Cl)(Cl)Cl)NC(=O)NC(C)C2=CC=CC=C2)F 1 5.232 2 1 -7.07788573012834 3383095 CC(C(=O)NC(=O)N)SC1=NN=C(N1C2CC2)C3=CC=CC=C3F 1 2.221 5 2 0 -10.7874148905256 3382963 CCN1C(=C(SC1=C2C(=O)N(C(=C3C(=O)N(C(=S)N3C4=CC=CC=C4)CC)S2)CC=C)C)C 1 5.141 4 2 -9.41267615055846 3382953 C1=CC(=CC=C1OC2=NC=C(C=C2)C=O)F 1 2.743 1 2 -0.213987588076559 3382947 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCNCC2 1 0.749 3 4 0 -14.6178597487873 3382936 CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C 1 2.164 6 4 0 -14.3817991298458 3382842 CCOC(=O)C1=C(N=C(C(=C1)C#N)NC2=CC=C(C=C2)C)C(F)(F)F 1 4.071 3 2 -3.54549238775872 3382837 COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC=CS2)OC 1 2.526 1 5 -14.5035405932891 3382829 C=CCSC1=NC2=C(C(=N1)OC3=CC=CC=C3)SC=C2 1 5.12 2 1 -3.2789338646751 3382766 C1CS(=O)(=O)CC1NC(=O)CSC2=NNC(=N2)C3=CC=CS3 1 1.098 4 3 0 -17.9114566989861 3382761 CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)N(C)CC2=C(C(=CC=C2)Cl)Cl 1 5.001 2 2 -2.56960007672212 3382735 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCC(C4)C(=O)OCC 1 4.52 2 4 -10.3929580783566 3382569 CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 3.824 2 9 0 -17.1848680231382 3382250 CC1=C(C=CC(=C1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)C3=CC=CC=C3OC)Br 1 2.542 4 4 0 -15.800080609202 3382235 C1CCC(C1)CCC(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 5.147 1 3 -11.5767683065015 3382226 COC1=CC=C(C=C1)CC(=O)NNC(=O)C2=CC=C(O2)Br 1 1.853 2 4 0 -9.48293123495604 3382218 CCN(CC)P(=O)(C1=C(N(N=C1C)CCC#N)NC(=O)C2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)[N+](=O)[O-] 1 3.009 7 4 0 -9.12801305190694 3382188 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)Cl 1 2.864 2 3 -19.7881181228889 3382131 C1CC12C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC=CC=C5Cl 1 1.694 2 3 0 -7.52207343038294 3382077 CC(=O)NC1=CC=C(C=C1)OCC(CN2C(CC(CC2(C)C)O)(C)C)O 1 1.159 2 4 0 -7.56021257069559 3382013 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)OC 1 2.556 3 5 0 -8.01812495031545 3381999 CN1CCC(CC1)N(C)C(=S)NC(=O)C2=CC=C(C=C2)Br 1 3.306 3 1 -5.10412680921869 3381909 C1=CC(=CC=C1CNC(=O)CCSCCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N 1 -1.2e-002 4 6 0 -18.6158575203734 3381820 CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)OC 1 4.225 1 5 -18.3970745201145 3381796 C1C(CC(=O)C(=CNCC2=CC=NC=C2)C1=O)C3=CC=CC=C3 1 1.428 2 2 0 -10.3017636612482 3381775 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)O 1 2.119 1 5 -10.5594890326488 3381736 COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N 1 2.57 2 5 0 -4.00834435861172 3381729 COC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)NCCN3CCOCC3)C4=CC=CS4 1 3.154 5 3 0 -9.38628329238195 3381597 CC1=NC2=CC=CC=C2N=C1NN=C(C)C3=CC=C(C=C3)OC 1 3.061 4 1 -1.93719934153643 3381593 C1=CC=C(C=C1)CCNC(=S)CC2=CC=CC=C2 1 4.071 1 0 -5.65651795396202 3381552 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCN(CC4)C5=CC=CC=C5F 1 4.041 3 4 0 1.88435124404086 3381484 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CS3)N4CCCC4 1 3.662 3 4 0 -5.40693065844768 3381464 CCCCC(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCCCC2 1 2.36 3 5 0 -21.0323322851331 3381376 C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2NCCCCl 1 3.412 3 1 -7.28570010475766 3381370 CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4C5=CC=C(C=C5)NC(=O)C)C#N 1 4.191 5 1 -14.7348197411475 3381344 COC(=O)C1=CC(=CC(=C1)N2C(=O)CC(C2=O)NNC(=O)C3=CC=CC=C3Cl)C(=O)OC 1 1.617 3 7 0 -15.5044667218172 3381162 CCN1CCC2=C(C1)SC(=C2C(=O)NC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 1 2.674 4 4 0 -28.8996630658022 3381148 C1=CC(=CC=C1COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)N)C#N 1 2.858 3 3 -7.7739056296585 3380986 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)CC(=O)NC3=CC=CC=C3F 1 1.548 6 2 0 -18.9288760731581 3380981 COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(CCS3)N=C2SCC(=O)N4CCC5=CC=CC=C54 1 3.413 3 4 0 -20.7919862199071 3380966 CCOC1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=CC=C3OC 1 4.151 2 2 -2.41414474181865 3380930 COCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(SC(=C3)Cl)Cl 1 2.967 3 4 0 -12.1100009810329 3380841 CC1=CC=C(C=C1)C2=NC(=NC(=N2)SC)C(Cl)Cl 1 4.265 3 0 5.35186170135639 3380837 C1=CC=C(C=C1)N2C=C(NC2=S)C3=CC4=CC=CC=C4OC3=O 1 3.865 2 2 -2.64786293941685 3380836 CC(C)(C)C1=CN(C(=S)N1)C2=CC=C(C=C2)F 1 3.922 2 0 -1.47533229584949 3380812 CC(C)CCNC1=NC(=C(C(=N1)NCCO)[N+](=O)[O-])N 1 0.512 6 3 0 -3.41155491475055 3380750 CC1=C(C(C2=C(N1)CCCC2=O)C3=CN(N=C3C4=CC=CC=C4)CC5=C(C=C(C=C5)Cl)Cl)C(=O)OC 1 5.618 3 3 -30.9959195087689 3380749 CC1(C(=O)N(C(=O)N1)CC(=O)NC2CCCCC2)C3=CC(=CC=C3)Br 1 2.742 3 3 -8.35813421297926 3380701 CC(C)C1=CC=C(C=C1)NC(=O)C(C(=O)NCC2=CC=C(C=C2)OC)NC(=O)C 1 2.18 3 4 0 -11.8738681382287 3380698 CC(C)(C)C1=CC=C(C=C1)OC(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F 1 5.584 2 2 -1.52396398374574 3380696 CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.677 3 4 0 -4.63446986864898 3380693 CC(=O)NC(C(=O)NCC1=CC=C(C=C1)F)C(=O)NC2=CC=C(C=C2)OC 1 1.191 3 4 0 -11.6880847066634 3380666 CC1=NN(C(=O)N1C2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.676 4 3 0 -5.15180172034231 3380665 CC1=NN(C(=O)N1C2=CC=CC=C2)CCOC3=CC=CC=C3 1 2.83 3 2 -3.50301633320385 3380263 C1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3C(=O)O 1 1.034 2 5 0 -6.57428150967847 3380267 CC(C)(C)C(C(CC1=CC=CC=C1Cl)N2C=NC=N2)O 1 3.348 3 1 -2.3299396488428 3380119 CN(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3OC 1 3.055 4 3 0 -10.8973181544901 3380102 CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)COC2=CC=CC=C2)OC 1 2.531 1 6 0 -16.1802798106524 3380048 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 1.169 2 7 0 -22.1784793804678 3379882 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(N2C)N=C4C=CC=CN4C3=O 1 2.307 4 3 0 -15.4904199790267 3379829 C1=CC=NC(=C1)C2=NC(=C(C(=N2)N)CC3=C(C=C(C=C3)Cl)Cl)N 1 3.837 5 0 4.22809871634356 3379825 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC3=CC=CC=C3O2 1 3.583 2 5 0 -17.1091256110405 3379732 C1=CC(=CC=C1OCC2=CN=C(S2)Cl)Cl 1 3.471 1 1 2.5110216798014 3379560 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5O4 1 4.351 3 4 0 -13.2714607531295 3379555 C1CCC(CC1)NC(=O)CCSCC2=CC=CC=C2Cl 1 4.209 1 1 -12.5379249275848 3379551 C1=CC=C(C=C1)CNC(=O)CSCC2=CC(=CC=C2)F 1 3.227 1 1 -12.6181581738362 3379492 COC1=CC=CC(=C1)C=NN2C(=NNC2=S)C3=CC=CS3 1 3.684 4 1 -5.47808014164454 3379329 CC1=NC2=C(C(=NN2C(=C1)NCCC3=CC(=C(C=C3)OC)OC)C)C4=CC=C(C=C4)Cl 1 5.07 4 2 -5.71712603805771 3379302 CCOC(=O)CSC1=C(C(=O)NC(S1)C2=CC=C(C=C2)OC)C#N 1 2.707 2 4 -15.5708711592581 3379299 CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)C3=CC=C(C=C3)OC 1 2.031 3 4 0 -11.5268761863254 3379244 C1C=NN2C1C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)N 1 1.846 5 2 0 -19.1233476967757 3379237 CCOCCCNC(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCOCC3 1 3.234 4 2 -14.6445123520312 3379226 CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)OC)C4=CC=CC=N4 1 2.797 6 1 0 6.35386315375896 3379046 COC(=O)NN=CC1=CC2=C(C=C1Br)OCO2 1 2.178 2 4 -6.79442986057948 3379018 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4 1 2.292 3 4 0 -14.3844159811931 3379008 CCOC1=C(C(=CC(=C1)C2C(CCC(=O)N2)[N+](=O)[O-])Br)OCC 1 2.793 2 5 0 -13.7080192657889 3378869 CC(C)CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CS4)OC 1 3.713 2 6 0 -28.6887128134144 3378801 CCOC(=O)C1=C(OC(=C(C1C2=CSC=C2)C#N)CCl)N 1 1.942 2 3 0 -13.4024364538163 3378741 COC1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC)N(CC3=CC=CO3)C(=O)CC4C(=O)NC(=O)N4 1 1.576 4 7 0 -24.6053244923545 3378615 COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)NC(=O)CC3=CC=CS3 1 3.365 2 3 -16.0473475610009 3378490 CC1=CC=C(C=C1)C2CN=NC23CCC4=CC=CC=C4C3=O 1 4.779 2 1 2.68927447669805 3378391 CC1=NC(=CN1CC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-] 1 2.621 3 3 -4.65456106006032 3378381 CC(C)CCN1C=NC2=C(C1=O)SC3=NC4=C(CSC(C4)(C)C)C=C23 1 4.086 3 1 -14.9389603893189 3378379 CCOC1=CC=C(C=C1)N(CC(=O)NN=C2CCN(CC2)C)S(=O)(=O)C 1 0.479 4 4 0 -13.4834978850331 3378352 CCN1CCN(CC1)C2=NC(=C(C(=N2)NC3=CC=CC(=C3)C)[N+](=O)[O-])N 1 2.045 7 2 0 5.55672824511652 3378328 CC1=CC2=C(N1)C=CC=C2OCC(CN3CCCC3)O 1 2.341 2 2 -4.98870609416259 3378191 CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC=CC=C2N3C(=O)C4C5CCC(C5)C4C3=O 1 4.215 1 5 -9.20256168770126 3378098 CC1=CC=C(N1C2=NC=CC(=N2)C3=CC=CS3)C 1 3.639 3 0 -2.07280969414714 3378072 CCC(C)SC1=NN=C(N1C2=CC=C(C=C2)OC)CC3=CC(=O)NC(=O)N3 1 2.641 5 3 0 -16.5091589814801 3378032 C1=CSC(=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)Cl 1 2.526 4 3 0 -20.7934366681756 3378026 CC1(CC2=C(C(=O)C1)C(C(=O)N2CC3=CN=CC=C3)(C(F)(F)F)NC(=O)C4=CN=CC=C4)C 1 1.47 4 3 0 -15.1447987545334 3377979 CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)C3=CC=NC=C3 1 2.7 4 1 -6.236495419293 3377905 CCCCNC(=S)N1CCN2C=CC=C2C1C3=CC=CC=C3 1 5.021 3 0 -18.1451360607452 3377901 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)C3=C(C(=C(N3)C)C(=O)C)C)C 1 2.575 3 4 0 -8.37814369186797 3377750 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)N 1 0.897 3 5 0 -17.2305467159161 3377717 C1C(=O)N(C(S1)C2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)CC6=CC=CC=C6 1 6.014 3 2 3.31177734815428 3377716 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CC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N 1 2.298 6 3 0 -2.59519392717865 3376460 C1CCN(C1)C2=C(C(=NC(=N2)NC3=CC=CC=C3F)N)[N+](=O)[O-] 1 2.539 6 2 0 -0.183220656183854 3376377 CC1=C2CCN(C2=NC(=N1)SC)C3=CC=C(C=C3)OC 1 3.112 3 1 -1.22323769113587 3376366 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4 1 1.102 3 6 0 -22.6335493021488 3376214 C1C(=O)NC2=C(C=C(C=C2)F)C(N1C(=O)C3=CC(=CC=C3)F)C4=CC=C(C=C4)F 1 3.862 2 2 -17.7938800535222 3376212 C1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=C(C=CC=C3Cl)F)N 1 3.85 3 4 0 -8.67945826242569 3376182 CCOC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=CC=N3 1 2.099 4 3 0 -9.20528081085056 3376168 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC)CC 1 2.318 5 5 0 -21.9571887003171 3376101 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C 1 3.215 3 4 0 -27.7285486540147 3376058 C1=CC=C(C=C1)NC2=NC=C(C=C2C#N)[N+](=O)[O-] 1 1.904 4 2 0 -1.03351844242382 3376006 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CC1=CC=C(C=C1)NC(=O)NC(=O)N(C(C)C)S(=O)(=O)C2=CC=C(C=C2)C 1 3.782 3 4 0 -0.819435132410241 3373980 C1=CC(=CC=C1C(=O)CC(C(=O)O)SC2=CC=C(C=C2)Br)F 1 4.446 0 3 -2.65225407782138 3373860 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=NC=C(C(=C3Cl)Cl)Cl 1 2.685 4 4 0 -19.5869403854481 3373843 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=NC=CS3)C4=CC=C(C=C4)OC 1 2.523 4 3 0 -20.2430771294599 3373842 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OCC 1 2.519 3 4 0 -20.5762217201181 3373841 C1CCC2=C(C1)C=CC(=C2)C3=NN=C(O3)NC(=O)COC4=CC=CC=C4 1 3.804 3 3 -5.4460140434112 3373766 C1=CC=C(C=C1)C(=O)NCC(=O)NN=CC2=CC=CC=C2Cl 1 2.407 3 2 -11.5503447105763 3373731 CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=C(N=CC=C3)Cl 1 2.613 2 4 -18.4898623769761 3373675 CCCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CN=CC=C2)O 1 2.81 2 3 -10.8212242389291 3373642 CNC1=C(C=NN1)[N+](=O)[O-] 1 0.101 4 2 0 -3.52862135232857 3373501 CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5)C 1 3.444 2 3 -5.26804390173776 3373418 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CCCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)C(C)C)O 1 5.154 1 3 -6.48621937875384 3372963 CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)NC3CCCCC3)[N+](=O)[O-])N 1 3.111 6 2 0 -2.1434294606126 3372939 CC1C(=O)N(C(=O)CS1)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 0.437 2 5 0 -17.2926682260766 3372936 C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)NC3=CC=CC=C3 1 2.662 2 2 -7.37228927576556 3372916 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)Br)C 1 1.27 2 4 0 -30.9180545756642 3372901 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2C=NC3=CC=CC=C3C2=O)C 1 1.893 4 4 0 -19.0094090449813 3372688 COC(=O)C(C1=CC=CC=C1)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 1.975 2 5 0 -18.8248824446089 3372681 CC(C)CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=CC=C2)O 1 4.212 1 3 -8.87091379561757 3372572 CC1=C(C2=C(N1)C=CC(=C2)F)CCN(CC3=CC=CO3)C(=S)NC 1 4.508 3 1 -6.52920410337822 3372548 CC1CC2=CC=CC=C2N1C(=O)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 2.194 3 4 0 -16.3249017169958 3372469 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)CC)[N+](=O)[O-])C 1 3.784 5 4 0 -4.21284152344582 3372465 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)N 1 1.11 4 7 0 -15.5043712736651 3372373 CC1=C(C(=NN1C)C)NC2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)[N+](=O)[O-] 1 2.533 5 4 0 -2.27752585318151 3372372 CCN(CC)CCN(C)C1=C(C=C(C=C1)N2C(=O)C3CC=CCC3C2=O)[N+](=O)[O-] 1 2.904 4 4 0 -5.29162688297124 3372367 C1CN(CCN1C2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)[N+](=O)[O-])C5=CC=CC=N5 1 3.085 5 4 0 -0.644437016497763 3372226 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CS3)C4=CN=CC=C4 1 1.6 9 2 0 -28.7072877690096 3372218 CC1=CC=CC2=C1N(C(=O)C2=O)CCCOC3=CC=C(C=C3)C(C)(C)C 1 4.457 1 3 6.97348637935362 3372057 CC1=NC2=C(C(=C1)C3=CC=CC=C3)C4=C(S2)C(=O)C=C(N4)O 1 3.655 2 2 -2.30556400215129 3372046 C=CCSC1=NN=C(O1)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 4.103 3 3 -14.2491373843278 3371943 CC1CCCC(=NNC2=NC3=CC=CC=C3S2)C1 1 3.413 3 0 1.03828605733036 3371906 CC1(C(N(C(=S)S1)N=CC2=CC=CS2)N(C(=O)NC)O)C 1 3.203 4 2 -7.48643070581658 3371833 CC1=C(C=C(C=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCCOC)C 1 1.916 3 5 0 -22.1152445390141 3371711 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)OC)OC 1 1.046 2 9 0 -28.2088326644341 3371676 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC3CC4CCC3C4 1 1.786 2 5 0 -16.6183794968334 3371658 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CC=C4)OC 1 3.455 3 4 0 -13.667893938945 3371593 CC1=C(C(=O)N(C1=O)CCC2=CC(=C(C=C2)OC)OC)C 1 2.576 1 4 -4.69257037624916 3371585 CC1CC(CN(C1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5O4)C(=O)NC(=O)N3C)C 1 3.591 6 3 0 -9.27023520836356 3371526 CN(C)CCCNC(=O)C1=CC(=CN1)C(=O)C2=CC=CC=C2 1 2.028 3 2 -6.17416536614957 3371382 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)C3=CC=C(C=C3)O 1 3.055 1 5 -9.44951219760719 3371330 COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)NCC3=CC=CC=C3Cl)[N+](=O)[O-] 1 4.342 3 5 0 -22.7930407453766 3371316 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CC=C(C=C3)N(C)C 1 3.314 4 1 -7.6892614471676 3371270 CCCC1=CC(=S)N2C3=CC=CC=C3NC2=C1C#N 1 4.412 3 0 -4.99794744358549 3371206 COC1=CC(=C(C=C1)CNC(=O)CNC(=O)C2=CC=CS2)OC 1 1.601 2 4 0 -15.705271412315 3371205 COC1=CC=CC(=C1)CNC(=O)CNC(=O)C2=CC=CS2 1 1.618 2 3 0 -15.0527374330694 3371158 C1CN(CCN1C=O)C2=NC(=C(C(=C2C#N)CC#N)C#N)N 1 -0.638 7 1 0 -4.93065822649983 3371130 CC(=NNC1=NC2=CC=CC=C2S1)C3=CC=C(S3)Br 1 3.938 3 0 1.70050945142869 3371077 CCOCCCNC(=O)C(C1=CC=C(C=C1)Cl)NC(=O)C2=CC=CC=C2O 1 2.519 2 4 -12.9005086277765 3370925 CCCCC(=O)NC1=CC=CC=C1C(C)C 1 3.723 1 1 -8.57172900170315 3370824 CN1C=NC(=C1NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] 1 2.161 4 4 0 -7.14876093511718 3370799 CNC(=S)N1CCN2C=CC=C2C1C3=CC=C(C=C3)F 1 3.897 3 0 -13.6583639060498 3370762 C1=CC(=CC=C1N(CCCNC(=O)CCl)C(=O)C(Cl)Cl)[N+](=O)[O-] 1 2.033 3 4 0 -13.3070720904641 3370714 CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NC3CCCC3 1 2.01 2 4 -8.42638017899236 3370723 CC1=C(C(NC(=O)N1)C2=CC=CO2)C(=O)OCCOC 1 0.222 2 5 0 -33.0073900763238 3370718 C1=CC=C(C=C1)CCCCNS(=O)(=O)C2=CC=CC=C2N 1 2.811 2 2 -7.26325346899926 3370657 CCOC(=O)C1CCCN(C1)C2=C(N=C(O2)C3=CC=C(C=C3)OC)C#N 1 3.041 3 4 0 -6.23800390139223 3370489 C1=CC=C(C=C1)CCNC(=O)C(=O)NCC2=CC=NC=C2 1 1.065 3 2 0 -10.6585204728678 3370491 C1=CC=C(C=C1)NC(=O)NNC2=CC=CC=C2[N+](=O)[O-] 1 2.439 4 3 0 -4.96671527540022 3370466 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O)S(=O)(=O)N5CCCCC5 1 2.415 4 5 0 -18.0307129499299 3370398 COC1=CC=C(C=C1)N2C(SCC2=O)C3=CC(=C(C=C3)F)F 1 3.633 1 2 -9.69373507515787 3370379 CC1(CC(CC(N1)(C)C)NC(=S)NCC2=CC3=C(C=C2)OCO3)C 1 2.749 3 2 -15.8779578170538 3370371 CC(C)(C)NC(=O)CCN(C1=NS(=O)(=O)C2=CC=CC=C21)N=CC3=CC=C(C=C3)OC 1 2.694 4 4 0 -13.6590033414224 3370368 CC1=CC(=O)OC(=C1C(=O)NC2=NC=C(C=C2)Cl)C 1 2.081 2 3 -5.72316414528644 3370345 CCOC(=O)C1CCCN(C1)C(C2=CC=CC=N2)C3=C(NC4=CC=CC=C43)C 1 3.937 3 2 -7.0427985716238 3370309 CCN(CCCNC(=O)CCN1C(=O)C2=CC3=C(C=C2NC1=S)OCO3)C4=CC=CC(=C4)C 1 3.926 4 4 0 -14.638090236202 3370221 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.688 4 3 0 -9.57882498849439 3370213 C1COCCN1C(C2=CC=NC=C2)C(=O)NN=CC3=CC(=CC=C3)Cl 1 1.945 4 2 0 -5.21922343005413 3370079 CC1CN(CC(O1)C)C(C)C(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC 1 2.323 3 4 0 -13.5475082008639 3370072 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCOC3=CC=CC=C3 1 3.053 2 4 -20.7390890735442 3369894 C1CC2=C(C(C(O2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)C(=O)C1 1 3.075 1 4 -8.8386508396734 3369819 C1C(=O)N(C2=C(S1)C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)CC5=C(C=CC=C5Cl)F 1 4.397 2 4 -17.5425290030643 3369812 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)C(=O)OC 1 2.373 1 6 0 -11.4568619092217 3369810 CC(=NN1C(=CSC1=NC)C2=CC=CC=C2F)C3=CN=CC=C3 1 2.691 4 0 -4.03164436387617 3369762 COCCOC1=C(C=C(C(=C1)NC(=O)C2=C(C=CS2)OC3=C(C=C(C=C3)[N+](=O)[O-])F)Cl)Cl 1 5.409 2 6 0 -7.86356518677088 3369756 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 2.013 3 5 0 -21.6629621885152 3369615 CC1CCCCC1NC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)F 1 2.188 2 4 -18.9372913125971 3369612 CC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2Br)Br)O)OC)C3=CC=CC=C3 1 3.412 2 4 -17.8436938164438 3369549 COC(=O)C(CC=C)(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC 1 2.279 2 8 0 -9.57768449606513 3369461 CN1C=C(C(=N1)C(=O)OCC(=O)NC2=CC(=CC=C2)Cl)Cl 1 2.729 3 3 -6.27089924921046 3369429 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC(C)C(=O)OC 1 3.845 1 3 -4.1160306289906 3369375 C1=CC=C(C=C1)C(=O)NCCOCCOCCNC(=O)C2=CC=CC=C2 1 1.633 2 4 0 -9.96327245582142 3369313 CCN1CCC(=NNC(=O)CCCCCCC(=O)NN=C2CCN(CC2)CC)CC1 1 1.6 6 2 0 -11.3776834318528 3369240 C1C2=CC=CC=C2C(=O)CSC3N1C(=O)C4=CC=CC=C34 1 2.82 1 2 -10.5781418588709 3369244 CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O)C 1 3.372 3 3 -13.2937969630166 3369283 CCN(CC)P(=S)(C1=C(N=C2N1C=CC=C2)C)C3=C(N=C4N3C=CC=C4)C 1 3.268 5 0 -2.90991163244462 3369207 CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)C3=NC4=CC=CC=C4S3 1 4.164 3 3 -18.9541407557171 3369171 CC1=C(C=C(C=C1)NC(=O)CC(C(=O)O)NCC2CCCO2)C 1 -1.088 2 4 0 -15.0490848770075 3369168 CCOC1=CC=C(C=C1)N(C(C)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3)S(=O)(=O)C 1 3.233 4 5 0 -14.0888260216927 3369137 CC1=CC(=CC=C1)S(=O)(=O)NCCC2=CN3C=CC=CC3=N2 1 2.014 3 2 -8.70009026658194 3368937 CC(=O)NCCC(=O)NC1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 1.809 4 5 0 -12.3667123071911 3368781 CC(=O)N1CCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)OCC(=O)N4CCC5(CC4)OCCO5 1 2.8e-002 2 7 0 -17.1069339135901 3368679 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4Cl 1 4.823 2 3 -11.9578059275652 3368672 COC1=CC=CC(=C1)CN2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=C(C=C4)Cl 1 4.036 3 2 2.03118829310699 3368664 CC1=CC=C(C=C1)C(=O)N2CCN(C2C3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4 1 4.378 2 3 -5.57113833643409 3368647 CC(=C1C2CCC1C3C2C(=O)N(C3=O)CCC4=CC=CC=C4)C 1 3.364 1 2 -5.61372513898993 3368615 CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.601 2 2 -18.4305658839035 3368605 C1=CC2=C(C=CC=N2)C(=C1)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=C(C=C(C=C5)Cl)Cl 1 5.065 2 5 0 -8.40868850560239 3368587 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4 1 3.784 2 5 0 -10.2778245906151 3368526 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)Br)C4=NC=CC=N4)O 1 2.993 3 4 0 -12.4159640051973 3368501 CC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(O4)C 1 4.774 2 2 -7.00589030822218 3368420 CC1=CC(=CC(=C1NC(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCN(CC4)C5=CC=CC=N5)C)C)Br 1 6.07 6 1 0 -7.66102516312901 3368356 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3Cl)Cl)S(=O)(=O)N4CCOCC4 1 1.552 3 7 0 -19.7566146379076 3368289 CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 1.458 3 3 0 -9.74400890941088 3368240 COC1=CC=CC=C1NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br 1 3.657 1 2 -9.31909705664383 3368163 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC(=CC=C3)Br)N 1 2.196 2 4 -11.4971719491148 3368161 COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N 1 2.533 2 5 0 -14.3695588712082 3368159 CC1=CC(=CC=C1)OC2=C(C=C(C=C2)Cl)N 1 3.794 1 1 7.64931877733147 3368065 C1=CC=NC(=C1)CNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S 1 3.167 4 2 -16.3914936017848 3368053 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 3.406 3 3 -12.9814423403585 3368044 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 4.065 3 4 0 -25.789352044523 3367903 CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NCC3CCCO3)CC4=CC(=O)NC(=O)N4 1 1.313 6 4 0 -29.086576470923 3367773 COC1=C(C=CC(=C1)C=C2C(=O)N3CCCN=C3S2)O 1 2.031 2 3 -8.90352437647083 3367760 CC1=C(C=C(C=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCCCN4CCOCC4)C 1 1.936 4 5 0 -21.4924127885186 3367701 CCCOC(=O)C1C2CC(C1C(=O)OCC(=O)C3=CC=CC=C3)C=C2 1 2.917 0 5 -7.48761270979132 3367693 COC1=CC=CC(=C1)CNC(=O)C2=CC(=CC=C2)Br 1 3.353 1 2 -7.47375951025781 3367573 CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N(C)C3=CC=CC=C3 1 3.162 6 3 0 1.61033206717034 3367465 CCN1C=C(C=N1)C(=O)NC2=CC=C(C=C2)N(CC)CC 1 2.473 4 1 -14.0071715642403 3367461 COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C3=CC=C(C=C3)F)C4=CN=CC=C4 1 4.187 3 3 -7.39926315939826 3367452 CC1=CC(=C(C=C1)C)S(=O)(=O)NN=C(C)C2=CC=NC=C2 1 2.188 3 2 -5.84486913131149 3367450 CC(C(=O)NN=CC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2 1 2.121 4 4 0 -15.0758312034529 3367448 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3)N 1 5.8e-002 4 6 0 -23.2368290500615 3367395 C#CCN1C(=NC=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.842 3 1 -3.01574376006541 3367286 CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)[N+](=O)[O-])C(=O)O1 1 0.737 3 6 0 -14.7098809770868 3367272 CC1COC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3 1 2.703 1 3 -8.74474781367929 3367257 COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCN(CC4)CC5=CC=CC=C5 1 3.7 4 3 0 -6.14867211406599 3367201 CC1=CC=C(C=C1)N2C(=C(C(=N2)C)SC3=CC=CC=C3[N+](=O)[O-])N 1 4.215 4 2 -0.990614249571898 3367199 CC(C)NC(=S)NN=CC1=CCC2CC1C2(C)C 1 3.406 3 0 -4.364730988133 3367040 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])F 1 2.714 2 3 -7.57688256976266 3367014 CC1=CC=C(C=C1)C=NNC(=O)C(C2=CC=NC=C2)N3CCOCC3 1 1.767 4 2 0 -8.20452604478265 3367012 CC1=CC(=NN1C2CC(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)C 1 2.932 3 2 -5.3882758765255 3366877 C1=CC=C2C(=C1)C(=NC(=S)N2)NCCCCCC(=O)NCCC3=CC=C(C=C3)Cl 1 5.307 4 1 -14.6932211892266 3366875 C1=CC=C(C=C1)CCNC(=O)CCCCCNC2=NC(=S)NC3=CC=CC=C32 1 4.643 4 1 -17.4984477816054 3366873 COC1=CC=C(C=C1)CNC(=O)CCCCCNC2=NC(=S)NC3=CC=CC=C32 1 4.305 4 2 -18.0096073945617 3366872 C1=CC=C(C(=C1)CNC(=O)CCCCCNC2=NC(=S)NC3=CC=CC=C32)Cl 1 4.986 4 1 -19.1286936129134 3366871 CC1=CC=C(C=C1)C(CCNC(C)C2=CC=CS2)C3=CC=CO3 1 4.907 1 1 -0.842038175938514 3366869 C1C(CC(=O)C=C1O)C2=CC=C(C=C2)Cl 1 2.566 0 2 -1.15324907344895 3366857 CC1=CC(=C(C=C1NC(=O)CSC2=NN=CN2C)OC)[N+](=O)[O-] 1 1.483 5 4 0 -23.5034077555694 3366856 CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3(CCCC3)C4=CC=CC=C4F 1 4.64 1 3 -7.75567548341327 3366808 CCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC(=CC=C3)C)C#N)OCC 1 2.255 4 2 1.30800718933357 3366780 C1=CC=C(C=C1)C(C(=O)NN=CC2=CC=CC=N2)O 1 1.343 3 2 0 -6.65978362328056 3366620 C1CN(CCC1C(=O)NNS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)CC3=CC=CC=C3 1 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1.93546608182907 3361697 CC1=CC=CC=C1NN=C(C(=O)OC)SC2=NN=C(N2C3=CC=CC=C3)C(C4=CC=CC=C4)O 1 5.498 5 3 0 -8.1674571886315 3361572 C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)OC(F)F 1 5.394 3 1 -4.79582495035632 3361555 C1=CC=C(C=C1)CN2C(N3C4=CC=CC=C4N=C3C5=CC=CC=C52)C6=CC=CC=N6 1 6.107 4 0 0.67570962535365 3361554 CC1CN(CC(O1)C)C(C2=CC=CO2)C3=C(N4C(=NC=N4)S3)O 1 2.362 4 3 0 -9.40528848239098 3361508 CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=O)CCCC3=O 1 2.939 1 4 -17.5425641697062 3361499 CC1=CC(=NO1)NC(C2=CC=C(C=C2)Cl)C3=C(C4=C(C=CC=N4)C=C3)O 1 4.109 3 2 -3.4020769882531 3361482 CN1C=C(C=N1)CN(C)C(=O)C2CCCCC2C(=O)O 1 1.124 3 3 0 -5.57256739851251 3361479 CN1C(=CC(=N1)C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)O 1 1.4 3 5 0 -11.5344041239781 3361436 CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3 1 6.188 4 2 -12.2509804044345 3361416 CCC1=NC2=C(C(=N1)N3CCCCC3C(=O)O)OC4=CC=CC=C42 1 3.221 3 3 0.551274221609326 3361257 C1CCC2=NC=C(N2CC1)C3=CC=C(C=C3)Cl 1 3.825 2 0 4.50844873129238 3361256 COC1=CC=C(C=C1)NC(=O)C2=NOC3=C2CCC3 1 2.407 2 3 -11.413490978164 3361211 CC(=O)OC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)OC)OC 1 2.349 1 5 -6.9866907631261 3361119 CC1=CC(=CC=C1)CSC2=NCCN2C(=O)C3=CC=C(O3)Br 1 4.341 2 2 -11.3333816792628 3361117 COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)N3CCCCCC3)OC 1 1.878 4 5 0 -27.8943640679919 3361080 CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)N(CC2=CC=CO2)C3CCS(=O)(=O)C3 1 3.473 1 5 -14.4988609650501 3361071 CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)NCCOC23CC4CC(C2)CC(C4)C3 1 3.417 1 5 -8.99976439376768 3361061 C1=CC(=C(N=C1)Cl)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.049 3 3 0 -10.9340001081485 3360990 CC1=CC2=C(C=C1)OC3=C(C2=O)C(N(C3=O)C4=CC=CC=N4)C5=CC(=CC=C5)O 1 3.567 2 4 -4.24991908964371 3360888 CCN(CC)C1=C(C=C(C=C1)NC(=O)C2=CC=CC=N2)S(=O)(=O)NC3=CC=CC=C3OC 1 3.223 4 4 0 -14.7524484288364 3360806 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC 1 2.466 2 5 0 -10.7009778622661 3360803 CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)OC 1 2.556 1 5 -16.6668880894916 3360702 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4 3 0 1.57325467943419 3360025 C1=CC(=CC=C1C(=O)NN=CC2=COC=C2)[N+](=O)[O-] 1 1.681 3 4 0 -9.93473782356784 3359928 CC1CCCC(C1C)NC(=O)COC(=O)CC2=CSC=C2 1 2.871 1 3 -14.5570699252487 3359927 CCOC(=O)C1CCCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)C#N 1 1.641 2 5 0 -16.614928824325 3359805 COC1=C(C=CC(=C1)C=NNC2=NC(=NC(=N2)N3CCCC3)N4CCCC4)OCC5=CC=CC=C5F 1 4.252 7 2 0 -6.50275557503626 3359791 CSC1=NN2C3=C(C=NC2=N1)C(=O)N4CCC5=CC=CC=C5C4C3 1 2.621 5 1 -6.77923895445838 3359790 C1CNC(C2=CC=CC=C21)CC(=O)NC3=CC(=CC=C3)Cl 1 3.02 2 1 -8.30772495564782 3359784 C1CN(C(C2=CC=CC=C21)CC#N)C(=O)NC3=CC=C(C=C3)C(F)(F)F 1 3.76 3 1 -8.51382323199772 3359616 C1CN(C(C2=CC=CC=C21)CC#N)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.76 3 1 -7.84117175623006 3359578 C1CCC(CC1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N 1 1.489 2 5 0 -12.9125907742465 3359480 CN(C1=CC=CC=C1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4=CC=C(C=C4)OC 1 3.993 3 6 0 -9.9405507849361 3359477 CN(C)C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C(=O)NC3=CC=C(C=C3)OC 1 2.321 3 6 0 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0 -20.7363909287854 3356385 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=CNC4=CC=CC=C43 1 4.038 2 1 -8.24140427541237 3356192 CC1=CC(=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)N(C(=C3)C)C)C 1 5.713 3 0 -9.99915946381881 3356142 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCNC(=O)C(=O)NCC3=CC=CC=C3 1 1.52 4 4 0 -24.3313639587576 3356001 CC1CCN(CC1)C2=CC(=NC3=C(C(=NN23)C)C4=CC=CC=C4OC)C 1 4.04 4 1 -5.91954220090015 3355848 CC1=NC2=C(C(=NN2C(=C1)NCCOC)C)C3=CC=CC=C3OC 1 2.387 4 2 -9.80156263908282 3355835 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.392 4 6 0 -13.7977804340874 3355773 CN1C2=C(C(=O)N(C1=O)CC(=O)N)N3CCCN(C3=N2)CC4=CC=CC=C4 1 0.302 6 3 0 -13.1762338470077 3355771 CCOP(=O)(C(C1=CC=CC=C1)NC(=O)NC2=CC=CC=C2)OCC 1 2.74 2 4 -10.7973689875427 3355664 C1CSC2=C(C1=NNC3=CC=CC=N3)C=C(C=C2)F 1 3.499 3 0 1.57882158158206 3355650 CCC(=O)N=C1N(C2CS(=O)(=O)CC2S1)CC=C 1 1.402 2 3 0 -14.9778089612373 3355576 C1CC(OC1)CN2CN(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC(=CC=C5)Cl 1 3.432 4 3 0 -12.8159417321537 3355543 CN1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=C(C=C3)OC)N)[N+](=O)[O-] 1 1.814 7 3 0 2.75689962990879 3355424 C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(C3=CC=CC=C3)C(=O)O 1 2.662 2 5 0 -15.8345878877103 3355389 CC1=CC=C(C=C1)C2N(CCS2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.84 2 3 -13.532724569561 3355298 COC1=CC=CC=C1OCC(=O)NN=C2CCC3=CC=CC=C32 1 2.808 2 3 -10.4789830182946 3355257 CC1=CC=C(O1)C2=CC(=NC(=C2C#N)N)C3=CC=CC=C3 1 3.356 3 1 0.498609657361206 3355155 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2 1 -0.293 2 7 0 -22.8200481511577 3355141 COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.688 2 4 -9.16278189458329 3354885 C1=CC(=CC(=C1)Cl)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCCC3=CC=C(C=C3)Cl)F 1 4.964 2 3 -4.18834722439214 3354871 CCCCCC(=O)NNC1=NCC(S1)CC2=CC=CC=C2 1 3.792 3 1 -10.1290362964675 3354813 CC1=CC(=CS1)C(=O)NNC(=S)NCC(C)C 1 2.419 3 1 -11.8185544529045 3354766 C1=CC2=NSN=C2C=C1NC(=S)NCCO 1 2.1 4 1 -5.51118549062753 3354646 C1CS(=O)(=O)CC1NC(=O)CCC2=CC=CC=C2 1 1.036 1 3 0 -16.6612481272737 3354384 CNC(=O)CSC1=NC2=CC=CC=C2N=C1 1 1.434 3 1 0 -7.60193771198373 3354376 CC(=NNC(=O)CN1C=CC(=N1)C(F)(F)F)C2=CC3=C(C=C2)OCO3 1 2.304 4 3 0 -11.3161249127296 3354187 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NC(=O)C2CCCCC2 1 3.345 3 3 -12.2676729514653 3354130 CC1(CC(=O)C(=NNC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C(=O)C1)C 1 1.276 3 5 0 -23.8682007658409 3354076 C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 2.794 2 3 -6.20847232621261 3354062 CC1=CC=CC=C1NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 2.379 2 2 -10.1969780038552 3354057 CN1C=C(C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C=O 1 0.893 2 4 0 -15.0615802691599 3354052 CC1CCCCC1NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S 1 3.948 3 2 -17.5318749809298 3354034 CCOCC1=C(OC2=CC=CC=C21)C(=O)NC3=C(C=C(C(=C3)OCC)N4CCOCC4)OCC 1 3.877 2 6 0 -5.89918296302008 3354019 C1C2=C(N(N=C2CS1(=O)=O)C3=CC=C(C=C3)F)NC(=O)C4=CC=C(O4)Br 1 2.635 3 4 0 -5.42807155358469 3354000 CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CC(=O)NC3=CC=CC=C3OC 1 2.932 4 4 0 -16.2174478284664 3353964 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2N)CC3=CC=CC=C3F 1 1.073 5 3 0 -27.6819683692772 3353960 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C3=CC=CC=C3)Cl)N 1 1.6 4 7 0 -25.096024983353 3353822 CC(C)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4 1 4.525 5 2 0 -14.5362536930439 3353691 CC1=C(C=C(C=C1)NC(=O)C2=NOC3=C2CCC3)C 1 3.396 2 2 -11.2484395836599 3353651 CCC(C)(C)NC(=O)COC1=CC=C(C=C1)OCC2=CC=CC=C2 1 3.895 1 3 -9.58946609201151 3353638 C1=CC=C(C=C1)CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.317 1 3 -17.0404980962259 3353616 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC2CCCC2 1 1.176 3 6 0 -15.6957032119869 3353614 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5 1 3.194 5 2 0 -6.50464800080514 3353467 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 1.279 4 5 0 -17.5553582497305 3353451 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3NC(=O)C4CC=CCC4C(=O)O 1 3.524 3 4 0 -4.75143496678511 3353363 COC1=C(C=C(C=C1)C2CC3=NC(=NC=C3C(=O)C2)N4CCC5=CC=CC=C54)OC 1 3.545 3 3 -17.2581331368966 3353162 CSC(=NN=C(C1=NC=CN=C1)N)SC 1 1.056 5 0 0 -2.09117879467275 3353161 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O 1 4.162 2 4 -11.8754305125819 3352929 CC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2CCN(CC2)CC3=CC=CC=C3 1 0.433 2 3 0 -3.9901151406408 3352804 CC(C)C(CCNCC1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)OC 1 4.834 2 1 -3.27522916588376 3352684 C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CO2)C3=CC=C(C=C3)Cl 1 3.509 2 3 4.19610269063958 3352622 CC1(CCS(=O)(=O)C1)NC(=S)NCCO 1 -0.169 2 3 0 -13.8059867240188 3352615 COC(=O)C1C(NC(=O)NC1(C(F)(F)Cl)O)C2=CC=CC=C2 1 1.509 2 4 0 -0.225178925341381 3352612 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=C(C=CC(=C3)Cl)OC 1 2.626 5 3 0 -14.44357862936 3352472 C1=CC=C(C=C1)C=NNC(=O)CSC2C3=CC=CC=C3C4=CC=CC=C24 1 4.384 2 1 -7.28017984182085 3352440 CC1=C(C=CC=C1Cl)NC(=O)C2C(=C(C(=NC3=CC=CC=C3)S2)C4=NC5=CC=CC=C5S4)N 1 5.478 4 1 7.68236416897649 3352412 CC1(CC2=C(C(=O)C1)C(C(=O)N2CC3=CC(=CC(=C3)OC)OC)(C(F)(F)F)NC(=O)C4=CC=CO4)C 1 3.134 2 6 0 -14.7229560260642 3352410 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CSC(=N)N 1 4.881 3 4 0 -3.39611164901246 3352398 C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl)C4=CC=CC=C4 1 5.212 4 3 0 4.23593623504623 3352275 C1CCC(C1)C(=O)NC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F 1 3.313 2 3 -1.42892176662714 3352268 CC1=CC=C(C=C1)CNC2=NC=CN=C2 1 1.473 3 0 0 -0.836662739343895 3352267 COC1=CC(=CC(=C1OC)OC)C(=O)NCCSC2=CC=C(C=C2)Cl 1 3.843 1 4 -7.66274066022483 3352265 CSC1=NC2=CC=CC=C2C(=N1)N3CCN(CC3)C4=CC=CC=C4Cl 1 4.826 4 0 6.48767523671895 3352176 C1C(=NN=C(N2C1=NC=N2)N3C(CC(=N3)C4=CC=CC=C4)(C(F)(F)F)O)N 1 1.748 8 1 0 -0.264381371624739 3352160 CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC4CCCO4)C 1 3.527 4 3 0 -8.56088804705589 3351962 C1CCN(C(C1)C(=O)O)CC2=CC=C(C=C2)F 1 -0.392 1 2 0 -2.52517159198069 3351955 CCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=C(C4=CC=CC=C4O3)C 1 3.748 1 5 -4.90298117453733 3351754 CC1=CC2=NC(=C(N2C=C1)NC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)C4=CC=CS4 1 5.576 3 2 -5.4367255556231 3351656 C1=CC=C(C(=C1)N=C(NC#N)SCC2=CC=C(C=C2)C(=O)O)F 1 3.763 3 2 -4.56918398588575 3351631 CCOC(=O)C1=C(NC(=S)C(C1C2=CC=CC=C2)(CC=C)C#N)C 1 3.548 2 2 -18.9922002189722 3351593 CC(C)OC(=O)C(CC(=O)O)N1CCOCC1 1 -2.729 1 5 0 -13.1369108727897 3351525 CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CCN3CC(OC(C3)C)C 1 2.436 3 4 0 -12.6614246655902 3351481 CCN1C(=NN=C1SCC(=O)NC2CCCCC2C)CNC(=O)COC3=CC=C(C=C3)C(C)C 1 4.083 5 3 0 -27.6088614218189 3351443 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5 1 3.798 4 4 0 -9.077286354257 3351416 CC(=NNC1=C(C=C(C=N1)Cl)Cl)C2=CC=CC=N2 1 3.424 4 0 4.41106695408571 3351221 CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CS3)S(=O)(=O)N(C)C 1 2.301 3 3 -14.9346188339507 3351135 CC(C)CNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC 1 2.41 2 6 0 -28.4426449551817 3351089 C1CC(C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3 1 1.375 3 3 0 -7.29862615459109 3351058 CCOC(=O)C(C1=CC=C(C=C1)NC(C(=O)OCC)(C(F)(F)F)NC(=O)CCl)(C(F)(F)F)O 1 3.375 2 6 0 -11.7868304486745 3350970 CC1(CC1(Cl)Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC 1 2.837 2 5 0 -11.731037176229 3350965 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)NC(=O)C6=CN=CC=C6 1 2.622 5 4 0 -13.005947878156 3350951 CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-] 1 3.99 3 5 0 -11.1004535630461 3350830 CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=NC=C(C=C3N2)Br)C 1 4.495 4 1 -6.38097752272949 3350774 CCOC(=O)C1C(CC(=O)C=C1O)C2=CC=CC=C2 1 1.796 0 4 0 -8.2818103607988 3350604 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-] 1 2.903 2 7 0 -21.5145569680411 3350556 C1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)Br)S(=O)(=O)C3=CC=CC=C3 1 3.076 2 4 -16.8106962814793 3350480 C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4O 1 3.804 2 4 -7.4829632287745 3350373 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OC(=O)C(C)C 1 0.27 2 6 0 -16.0169505646862 3350285 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC(=C(C=C2)Br)C(=O)C3=CC=CC=C3 1 4.734 1 4 -7.53796397086824 3350277 CCOC1=CC=C(C=C1)OCCCC(=O)NC2=NCCS2 1 2.839 2 3 -14.7435189158338 3350273 C1=CC=C(C=C1)NC2=NC(=NC(=N2)NN=CC3=CN=CC=C3)NC4=CC=CC=C4 1 3.165 8 0 0 -2.64735970859708 3350147 CC1=CC=C(C=C1)N2C3=C(C(=O)CC(C3)(C)C)C(C2=O)(C(F)(F)F)NC(=O)C4=CC=CC=C4 1 4.251 2 3 -14.0016636916086 3350143 CCC(CC)C(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=C(C=C3)C 1 4.191 3 3 -10.6472434521749 3350081 CC1=NC=C(C2=C1OC(=NC3=CC=CC(=C3)C(=O)N)C(=C2)C(=O)NC4=CC=CC=C4Cl)CO 1 2.675 4 4 0 -5.2020733849787 3350013 CC(C)C1=CC=C(C=C1)C2CC(=NN2C(=S)N)C3=CC=C(C=C3)Br 1 5.475 3 0 -2.39272641591163 3349915 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=C(C(=C(N3)C)C(=O)C)C 1 2.598 3 6 0 -28.0858265865283 3349892 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)C 1 4.041 1 5 -8.54259169757623 3349800 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)OCC=C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 4.386 4 3 0 -17.8910893058068 3349792 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N(CCC#N)CC2=CN=CC=C2 1 2.576 5 2 0 -20.4394045553212 3349764 C1=CC=C2C(=C1)C(=C(O2)C(=O)N)NC(=O)C3=CC=CO3 1 1.607 2 4 0 3.37783464741445 3349758 CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=O)C3=CC=CS3 1 3.251 2 2 -13.3946881731174 3349697 CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)OCC 1 3.465 1 6 0 -12.4570026020851 3349586 CC(C)CN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3 1 2.469 4 2 -7.79702878579358 3349585 CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CC=C4 1 5.11 2 5 0 -24.1706017059663 3349518 C1CC(=O)N(N=C1C(=O)NCC2=CC=NC=C2)C3=CC=CC=C3 1 0.944 4 2 0 -14.949103864294 3349416 CC(=NNC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br)C3=CN=CC=C3 1 1.187 5 3 0 -20.5609537984886 3349315 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)CC3=CC(=O)NC(=O)N3 1 1.447 5 5 0 -24.857141178583 3349280 CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC4=CC=CC=C4OC3=O 1 2.766 3 6 0 -20.7293925981413 3349218 CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCC3(CCCCC3C2C4=CC=CC=C4OC)O)C 1 3.52 2 5 0 -15.2681150605821 3349140 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN3C(=CC(=NC3=N2)C)C 1 0.99 5 3 0 -25.0029078423241 3349090 CC1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)C 1 5.669 3 1 -10.3003105921075 3349076 CC1=CC=C(C=C1)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CS3 1 5.016 4 0 -3.92556132403625 3349065 CS(=O)(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CS3 1 3.137 2 2 -7.89562892579698 3349056 CCC(C)C1=C(N=C(NC1=O)SCC(=O)N2CCOCC2)O 1 1.457 3 4 0 -19.8225174865869 3349055 C1CN(CCN1CC(=O)NCC2=CC=C(C=C2)F)C3=CC=CC=C3 1 2.798 3 1 -5.11712151017717 3348974 CCC1=NN=C(S1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C 1 0.811 7 3 0 -28.4028510198483 3348973 CC(C)C(=O)NCCC1=CC2=C(C=CC(=C2NC1=O)OC)OC 1 1.757 2 4 0 -15.2069750535323 3348945 COC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3 1 2.48 3 4 0 -14.4168685640872 3348880 CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(NC3=C2C=CC(=C3)C)C(=O)OC 1 2.091 4 5 0 -6.98205147003408 3348797 CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC=NNC(=S)N 1 0.393 7 2 0 -10.6054409626202 3348793 CC1=C(C(=C(C(=N1)NCCC2=CC=C(C=C2)F)C#N)COC)[N+](=O)[O-] 1 2.524 4 3 0 -2.8864176320985 3348764 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)NC(=O)C3=C[N+](=CC=C3)[O-] 1 1.772 3 4 0 -6.95211807248894 3348685 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CN=C4N(C3=O)CCS4 1 2.146 4 2 -8.78322651941523 3348632 CCC(C)NC(=O)CN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 1.911 2 3 0 -10.8853245701288 3348470 CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)COC4=CC=C(C=C4)OC 1 3.091 5 3 0 -13.6055892914521 3348323 CC1=C(C=C(C=C1)S(=O)(=O)NN=C(C)CCC(C)C)[N+](=O)[O-] 1 2.904 3 4 0 -10.7627531655706 3348264 C1=CC=C(C=C1)C(C(=O)NN=CC2=CN=CC=C2)O 1 0.915 3 2 0 -8.01298677393147 3348161 CC(C)C(=O)OCC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2 1 4.156 3 3 -4.51677925708791 3348121 CC1=CC=C(C=C1)N2C3=[N+](C(=O)C(=C2[O-])CC4=CC=CC=C4)N=C(C=C3)C5=CC=CC=C5 1 5.75 3 2 -1.89672969787494 3348038 COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NN=C3 1 2.242 3 2 -5.58532593252665 3348018 CN(CP(=O)(CC(CC(=O)OC)C(=O)OC)[O-])C=O 1 -2.741 1 7 0 -10.2995185146787 3347998 CC1=CC=C(N1CCN2CCN(CC2)C(=O)CC#N)C 1 0.835 4 1 0 -11.2680094051061 3347965 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)N 1 0.376 2 5 0 -15.1015619660507 3347951 CC1=NC2=C(C(=N1)SC(C(=O)C)C(=O)NC)OC3=CC=CC=C32 1 2.01 3 3 -5.37555709273879 3347949 CCC1C(=C(NC(=S)N1)C)C(=O)C2=CC=CC=C2 1 3.19 2 1 -18.8100953296109 3347898 COC1CCCCC1NCC2=CC(=C(C(=C2)OC)OC)OC 1 2.618 1 4 -4.00466951581068 3347797 CC1(C2=CC=CC=C2N(C13C=CC4=CC=CC=C4O3)CC(=O)N)C 1 3.545 2 2 -9.21015559589453 3347771 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br 1 3.912 2 3 -8.38846506362195 3347770 C1=CC(=CC=C1S(=O)(=O)CCC(=O)NC2=C(C=C(C=C2)Cl)F)Br 1 3.858 1 3 -9.36015478574375 3347676 CCN(CC(=C)C)C1=NC(=C2C(=C1C#N)C3=C(N=C2N)N(C(=O)C3)C45CC6CC(C4)CC(C6)C5)N 1 3.271 7 1 0 -12.3553846861591 3347668 CC1=CC(=CC=C1)N2C(=S)N=C(C23CCOC(C3)(C)C)NC4=C(C=CC=C4C)C 1 5.93 3 1 -4.33913371424268 3347538 CN1C=CN=C1SCC(=O)C2=CC=C(C=C2)OC(F)F 1 3.068 2 2 -1.17480934474669 3347535 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC34CC5CC(C3)CC(C5)C4 1 2.812 8 1 0 -19.2484807625206 3347463 CC1CCCCC1=NNS(=O)(=O)C2=CC=C(C=C2)Br 1 3.322 2 2 -4.1615872945649 3347442 CC1=CC(=C(C=C1)C)NC(=S)NN=CC(C)C2=CC=CC=C2 1 5.448 3 0 -7.70159412697981 3347421 CC1=CC(=C(C=C1)C(=O)CC2=CC3=CC=CC=C3OC2=O)C 1 4.271 0 3 0.447429027329141 3347420 CCOC1=CC=CC2=C1OC(N3C2CC(=N3)C4=CC=C(O4)C)C5=CC(=C(C(=C5)OC)OC)OC 1 4.5 2 6 0 -2.41124755802257 3347399 C1COCCN1C(=O)CS(=O)C2=CC=C(C=C2)F 1 0.418 1 3 0 -3.44296079178365 3347398 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C(=O)OC 1 3.548 3 3 -4.33517243812081 3347345 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC)CN3C=NC(=N3)[N+](=O)[O-] 1 1.959 8 4 0 -20.5576529394291 3347238 CC1=CC=C(C=C1)N2CC(CC2=O)C3=NC4=CC=CC=C4N3C 1 3.234 3 1 -4.09427911586264 3347237 CCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)Cl)O 1 4.168 1 3 -3.86594456257673 3346917 C1COCCN1C(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53 1 3.351 4 3 0 -19.82899522636 3346738 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCC3)C 1 2.806 2 3 -16.651455232967 3346736 C1=CC(=C(C=C1Cl)Cl)CNC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 3.125 2 2 -9.69001849818175 3346588 CC1=CC=C(C=C1)NC(=O)C2=C(N=C3N2C=CC=C3)Cl 1 3.143 3 1 -4.38405945737341 3346587 CC1=CC(=C(C=C1)C)NC(=O)C2=C(N=C3N2C=CC=C3)Cl 1 3.629 3 1 -6.07239134629104 3346468 CCOC1=CC=C(C=C1)C(=NN2C(=O)C(SC2=NC3=CC=CC(=C3C)C)CC(=O)NC4=C(C=C(C=C4)OC)[N+](=O)[O-])C 1 5.916 5 6 0 -10.4549781719002 3346465 C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=C(C4=CC=CC=C4C=C3)Br 1 4.788 3 3 -12.3489843738048 3346370 CC(=NNC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)F 1 3.446 5 3 0 -4.60003147114681 3346356 COC(=O)C(C=NOCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC(=CC=C2)Cl 1 2.846 3 6 0 -9.09187535256428 3346295 CCN1C(=NN=C1SCC=C)CNC(=O)C2=CC=C(C=C2)Cl 1 3.098 4 1 -16.5012723470879 3346091 CC1=C(C(=NN1C)C)NS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F 1 3.515 3 3 0.710095083464529 3346045 CC(C)CNP(=S)(C1=CC=CC=C1)C(C)(C)C 1 3.787 1 0 -4.97330713133859 3346020 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NN=C(COC3=CC=C(C=C3)Cl)N 1 3.636 4 3 0 -6.95709916334978 3346019 CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC(C(=O)OC)N3CC4=CC=CC=C4C3=O 1 4.662 1 5 -12.3252654848931 3346017 CC1=NC(=NC=C1C2=CC3=C(C=C2)OCO3)N 1 1.394 3 2 0 2.55780501219009 3345963 CCC1=CC=CC(=C1NC(=S)NCC2=CC3=C(C=C2)N(C(=C3)C)C)C 1 6.169 3 0 -9.28581417138784 3345894 CCOC1=CC=C(C=C1)C(NC2=CC=C(C=C2)C)P3(=O)OCC(CO3)(C)C 1 4.287 1 4 -6.65689822681926 3345887 CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)CN2CCC3=CC=CC=C3C2 1 3.606 2 2 -10.5503251170474 3345856 C1CS(=O)(=O)CC1NC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F 1 3.728 3 3 -18.5983408926323 3345844 C1=CC(=CC(=C1)N2C(=C(C=N2)C3=CC=C(C=C3)Cl)N)C(F)(F)F 1 4.559 3 0 7.4489677402172 3345839 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=N4 1 2.145 5 4 0 -17.4656103109945 3345764 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCC3)C(=O)NC4=C(C=CC=C4F)F 1 2.899 4 3 0 -19.825104445882 3345752 CSCCC1COC(=N1)C2=CC=CS2 1 2.422 1 1 -4.60854342499313 3345746 CC1=CC=C(C=C1)C(=O)ON=C(C2=CC=CC=C2)C3=CC=NC=C3 1 4.124 2 2 -0.751081475451757 3345708 CCCC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)C)OC)C3=CC=CC=C3 1 3.162 3 4 0 -8.97458581507419 3345699 CC1(C2(CCC1(C(C2=O)Br)C(=O)NCCC3=CC(=C(C=C3)OC)OC)C)C 1 3.572 1 4 -12.8252648878062 3345555 CC1=CC=C(C=C1)C(=O)NNC2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCCO4 1 1.514 3 5 0 -9.51116971364783 3345532 C1CC(OC1)CNC(C2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)Cl)Cl 1 3.827 2 2 -11.746291798663 3345423 CCOC1=C(C=C(C=C1)C(CCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3OC)OCC 1 5.659 1 4 -12.8108976151334 3345382 C1CCCN(CC1)C(=O)C2=CC=C(O2)COC3=CC=CC=C3[N+](=O)[O-] 1 3.552 2 5 0 -10.4122273000917 3345338 COC(=O)C1CCN(CC1)C(=O)COC(=O)COC2=CC=C(C=C2)C#N 1 0.992 2 6 0 -14.1972668833295 3345212 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(SC=C2)C#N 1 2.636 2 2 -4.37742469283718 3345171 CN1C(N2CCCN2C1=S)C3=CC=CC=C3 1 2.524 3 0 -2.1086472900479 3345159 C1C2CC3CC1CC(C2)(C3)NC(=O)NCC4=CC=CO4 1 2.278 2 2 -9.72674731754306 3345062 CC1CC2=CC=CC=C2N1C(=O)COC3=C(N=C(C=C3)C)[N+](=O)[O-] 1 2.673 3 4 0 -10.5895743394404 3345059 COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)OC)[N+](=O)[O-] 1 3.214 3 6 0 -18.1138567148035 3345054 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F 1 0.636 3 4 0 -7.89958925373109 3344795 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br 1 2.884 3 3 -13.867282524307 3344768 CC(C)C1C(=O)N=C(S1)NN=CC2=CC=CS2 1 3.231 3 1 -5.43605457595486 3344693 C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)Cl)F 1 3.747 2 5 0 -8.60010942109672 3344652 CC1(CC2=C(C(C(=C(N2NC3=CC=CC=C3)N)C#N)C4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)OC)C(=O)C1)C 1 5.347 4 3 0 -22.9093389711412 3344616 CC1C(=O)N=C(S1)NN=CC2=CC=CO2 1 1.83 3 2 0 -5.62515219834228 3344552 CC1C(=O)N(C(=O)C(S1)C)CC(=O)NCC2=CC=C(C=C2)F 1 1.348 2 3 0 -11.0438745656387 3344532 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC)OC 1 3.465 3 7 0 -11.1471737503129 3344530 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC(=CC=C4)OC)OC 1 3.497 3 5 0 -7.1151001880843 3344442 CCOCCCN1C2=C(C=C(C1=NC(=O)C3=CC=CO3)C(=O)OCC)C(=O)N4C=CC=C(C4=N2)C 1 2.026 4 6 0 -20.782300951449 3344412 COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O 1 0.838 0 9 0 -10.2129584277684 3344345 CC1=C(C=C(C=C1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)C 1 4.044 4 1 -5.9701754920114 3344333 C1C(=O)N(C(S1)C2=CC=CC=C2)NC3=C(C=C(C=N3)Cl)Cl 1 3.978 3 1 -4.23090543462445 3344295 CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 4.25 2 5 0 -20.2096066261367 3344201 CC(C1CC2CCC1C2)NC(=O)CCC(=O)C3=CC=C(C=C3)F 1 3.441 1 2 -8.76097153806952 3344175 CC1=CC(=CC=C1)N(CC2=CC3=C(C=C(C=C3)C)NC2=O)C(=O)C4=CC=CO4 1 4.154 2 3 -8.95602159172614 3344170 CN(C1=C(C(=O)N(N=C1)C2=CC(=C(C=C2)F)Cl)Cl)N=CC3=CN=CC=C3 1 2.58 5 1 -0.661017187248207 3344135 CN1C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.149 4 3 0 -21.4617942993404 3343977 CCC1(C(=O)N(C(=O)N1)N=CC2=CC=C(S2)C)C 1 2.109 3 2 -2.38455955847791 3343908 CCNC(=O)CN1C(=O)C2(CCCC3=C2C=CC(=C3)OC)NC1=O 1 1.106 3 4 0 -8.14844545550859 3343835 COC1=CC=C(C=C1)OC2=NC(=NC=C2OC)C3=CC=CC=N3 1 3.015 3 3 6.59486178470396 3343829 COC1=CC(=CC=C1)SCC2CSC3=NC4=CC=CC=C4C(=O)N23 1 4.257 2 2 -10.8172091517291 3343807 CC1=NC(=NC=C1C(=O)OC)SC 1 1.252 2 2 0 -4.26134661574387 3343781 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NCC3CCCO3)S(=O)(=O)C 1 2.583 2 4 -19.6896665178092 3343780 CC(C1=CC=CC=C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3 1 3.423 2 3 -12.5108835819968 3343680 COC1=CC=C(C=C1)CN2C(C(=O)N(C2=O)C3=CC=C(C=C3)OC)CC(=O)NC4=CC=CC=C4 1 3.398 3 5 0 -14.5680878370943 3343637 CC1=C(C2=CC=CC=C2N1)C(C[N+](=O)[O-])C3=CC(=CC=C3)O 1 3.744 2 3 -0.984711003033976 3343598 C1COC2=C(O1)C=CC(=C2)C3CC(=NNC(=S)N)C4=C(O3)C=CC(=C4)F 1 3.301 3 3 -3.79978280723061 3343597 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC(=CC=C4)S(=O)(=O)N 1 1.598 6 5 0 -8.48576664401062 3343504 CC(=NNC1=NC(=O)CC(S1)C(=O)O)C2=CC(=C(C=C2)OC)F 1 1.985 3 4 0 -9.19020360630173 3343394 CC1(CC2=C(CO1)SC3=C2C(=NC(=S)N3CC4=CC=C(C=C4)Br)N)C 1 5.001 3 1 -10.1213676606346 3343347 C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C(=O)[O-])CCC3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 5.779 1 2 9.35006511900784 3343314 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CS3)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.528 4 2 -10.8019612913715 3343289 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C 1 2.912 2 6 0 -13.182807489637 3363127 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SC3=NC=C(C=C3)C(=O)OC 1 2.8 3 5 0 -12.9051377672109 3362974 C1=CC=C(C=C1)C(=O)C2=NN(C3C2C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5 1 4.682 3 3 -4.47441867245127 3362952 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(N=CC=C2)Cl)O 1 1.802 2 4 0 -6.84120022724365 3362807 C1=CC=C(C(=C1)CN2C=C(C3=C2N=CC=C3)C(=O)C(F)(F)F)F 1 3.994 2 1 -7.60449393716832 3362760 CCOC(=O)C1=C(N=C2N1C=CC=N2)C(F)(F)F 1 2.189 3 2 -4.49392259675767 3362758 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C3=NN=C(N3C)SCC4=CC=C(C=C4)C(=O)O 1 4.79 6 2 0 -10.8917691076306 3362755 CC(=NNC(=O)CNC(=O)C1=CC=C(C=C1)OC)CC2=CC=CC=C2 1 1.732 3 3 0 -14.3037964712496 3343195 CN1C2=C(C(=O)NC1=O)N(C(=N2)NN)CCC3=CC=C(C=C3)OC 1 0.762 6 3 0 -8.35904600043926 3343038 C1CCN(CC1)NC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)Cl 1 3.9 2 2 -4.11722222421448 3343037 CC1=CC(=NC(=N1)N2CCOCC2)NN=CC3=C(C=C(C=C3)OC)OC 1 1.572 5 3 0 1.04611170792348 3343001 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F 1 1.685 3 3 0 -11.9023395675857 3342967 COC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CC=C3Br 1 3.067 1 4 -10.6960246076155 3342913 CN(C1=CC=CC=C1)C(=O)C2=CN(C(=O)C=C2)CC3=CC=C(C=C3)Cl 1 3.08 2 2 -1.74706174207547 3362741 CCN(CC)CC(=O)N1C(C2=C(N(C(=O)N(C2=O)C)C)OC3=CC=CC=C31)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.892 5 6 0 -20.0243412243645 3362642 CCOC(=O)CSC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)N5CCOCC5 1 4.628 4 3 0 -18.9541280160203 3362640 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NN=CC3=CC=CC=C3 1 3.295 5 0 1.17503410438257 3362513 CSC1=C(C=CC=N1)C(=O)NCC23CC4CC(C2)CC(C4)C3 1 3.443 2 1 -11.1958416986873 3362367 CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N 1 0.714 6 3 0 1.11793891829353 3342641 CC1=NC(=CC=C1)NC(=S)NCC2=CC=CO2 1 2.948 3 1 -7.80341752609734 3362327 C[N+]1=CC=C(C=C1)CC\2N3N=CN=C3N=C/C2=[N+](/[O-])\[O-] 1 0.935 6 2 0 -2.85980893057483 3362309 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=C(C=C4)F 1 2.978 5 3 0 -24.8722254144926 3342467 CN(C1CCS(=O)(=O)C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4 1 1.525 2 5 0 -14.3429317366003 3342394 COC(CNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC=C)OC 1 2.871 2 4 -15.700775660209 3342339 CC1=C(C2=CC=CC=C2N1)C(CN3CCC4(CC3)OCCO4)O 1 1.896 2 3 0 -2.18962926784535 3342390 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCCN(CC3=CC=CC=C3)C(C)C 1 4.467 3 3 -7.69349659666619 3342388 CCN1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-] 1 2.179 7 2 0 1.40655579722872 3342380 CC1=NC(=CC=C1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 4.98 3 0 0.528980803111017 3342378 CCOC1=C(C=C(C=C1)CCNC(=O)NC2=CC=CC=C2)OCC 1 3.515 2 3 -11.4609862338827 3342377 CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=N2)C 1 4.242 3 2 -8.70871038616016 3342335 CC1=C(C(=NN1C(C)C(=O)NN=CC2=CC=C(C=C2)N(C)C)C)[N+](=O)[O-] 1 2.153 6 3 0 -8.86425300486055 3342160 CC1=C(NC(=C1C(=O)C)C)C(=O)CN2C(=O)C(NC2=O)CCC3=CC=CC=C3 1 2.554 3 4 0 -9.57904449199947 3341993 CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(C=C2)OC(C)C)S1)C)C 1 3.369 2 4 -13.6728896036275 3341930 CC1=CC=CC=C1N(C(=O)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3OC)(C4=CC=CS4)O 1 5.006 2 4 -20.1041581478625 3341925 C1COCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])OCCOCCO1 1 2.521 1 8 0 -9.26353532868686 3341861 COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C(=N)N(C=N5)CCN6CCOCC6)OC 1 3.767 4 4 0 -10.5547652121733 3341841 CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC(OC)OC)NC1=S 1 1.568 3 5 0 -18.7867364786978 3341719 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC(=CC=C4)Cl)CCOC 1 2.329 6 3 0 -8.38670826679686 3341717 COC1=CC=CC(=C1OC)C(=O)N2CCN=C2SCC3=CN=CC=C3 1 2.708 3 3 -14.6690933781926 3341655 CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)OC 1 4.055 3 2 -8.20711020266515 3341411 CC1(CC(CCO1)(CC2=CC=CC=C2)CC(=O)N(C)CCC#N)C 1 2.437 2 2 -10.3449188974725 3341371 CC1CCN(CC1)C2=NC3=CC=CC=C3N2CC(=O)C4=CC=CC=C4 1 4.06 3 1 -5.75648728402905 3341369 C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)NCC3=CC=C(C=C3)Cl 1 3.139 4 2 -23.731634108174 3341357 C1=CC=C2C(=C1)C(=O)C(=O)N2CNC3=CN=CC=C3 1 1.165 3 2 0 0.606988626052871 3341317 CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC(=CC=C4)Cl 1 4.535 3 3 -4.58834671380852 3341249 C1CCN(CC1)CC2=C(C3=CC=CC=C3OC2=O)NC4=CC=CC=C4 1 3.94 2 2 -1.84239113085267 3341221 CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] 1 1.729 4 7 0 -20.9410027391532 3341212 CC1=C(C2=C(N1)C=CC(=C2)OC)CCN(CC3=CC=CO3)C(=S)NC 1 4.286 3 2 -7.8984792468155 3341183 CC1=CC(=NC(=N1)NN=C(C)C2=CC=C(C=C2)N3CCOCC3)C 1 1.949 5 1 0 -5.41951411541709 3340990 CCCC(=O)N=C1N(C2CS(=O)(=O)CC2S1)C3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C 1 5.313 3 3 -5.68026673186314 3340987 CCCCCOC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCCCCC4 1 4.3 9 3 0 -25.7371013552463 3340873 C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=C(C=C5)Br)Br 1 5.332 3 1 -2.69393932979139 3340824 C1=CC=C(C(=C1)C(=O)NC2=NC(=CS2)C3=CN=CC=C3)Cl 1 3.072 3 1 -2.69447729259079 3340822 CC1=CC=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C 1 2.304 3 1 -2.69406097809484 3340804 CC1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(F)(F)F)N 1 3.608 5 1 -5.16513526004812 3340803 CC1=CC(=CC=C1)NC(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(F)(F)F)N 1 3.608 5 1 -3.84109474512004 3340802 C1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)F)N)C(F)(F)F 1 3.328 5 1 -4.7320319006457 3340792 C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=S)NCC(=O)O 1 4.322 2 2 -9.98774921378669 3340630 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)C(=O)NCC5CCCO5 1 0.824 5 4 0 -27.8356619514638 3340619 CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC=CS2 1 2.359 1 4 -17.4393079342374 3340585 CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 1 3.474 3 4 0 -8.66609396679925 3340570 CC(C)OC(=O)CSC1=NC(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3 1 2.922 3 4 0 -23.6101837818179 3340531 C1CC2C3C(C1O2)C(=O)N(C3=O)NC(=O)C4=CC=CO4 1 -0.33 2 5 0 -5.47857194335276 3340400 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC 1 0.879 3 5 0 -30.8383675750834 3340413 COC1=CC=CC=C1C2=NN=C(O2)NC(=O)CC3=CC=CC=C3 1 2.473 3 3 -7.30276696017171 3340440 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N3CCC(CC3)C(=O)O)C 1 0.815 1 5 0 -7.48062134314703 3340390 C1=CC=C(C=C1)P(=O)(CCCCCCCCCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 1 9.543 0 2 -3.96719726386082 3340381 CN(C)S(=O)(=O)OC1=C(C=C(C=C1)Cl)C(=O)NC2=C(C=C(C=C2)F)F 1 2.839 2 4 -5.55467014981701 3340303 C1=CC=C(C=C1)NN=CC2=C(N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O)Cl 1 3.972 3 3 -0.14820653497534 3340300 CC1=CC(=NC(=N1)SCC(=O)N2C3=C(CCCC3)C4=CC=CC=C42)C 1 4.862 3 1 -5.21193889498469 3340233 C1CCC(CC1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=C(C=CC=C3Cl)F 1 3.06 4 3 0 -25.4794002616489 3340214 CC1=C(SC=C1)C=NNC(=O)CNC(=O)C2=CC=CO2 1 1.577 3 3 0 -11.7375551075343 3340196 CC1=C(C=C(C=C1)C=NNC(=S)NCC=C)[N+](=O)[O-] 1 3.229 4 2 -12.4923667150492 3340104 COC1=CC=CC(=C1)C(=O)N2C(CC(=N2)C3=CC=CC=N3)(C(F)(F)F)O 1 2.711 3 3 0.832753126650896 3340060 COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C(=NN3)OC)[N+](=O)[O-] 1 2.238 5 7 0 -11.244056133848 3340026 C1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)C3=CC=CC=C3C(F)(F)F 1 4.768 1 2 -3.44911520053759 3339999 CCC1=CC=[N+](C=C1)C2=C(SC(=N2)[O-])C=NNC(=O)C3=CC=NC=C3 1 2.538 5 2 0 -11.8613097509932 3339989 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCC3)C(=O)NC4=CC=CC=C4F 1 2.693 4 3 0 -22.0002907887039 3339987 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCC3)C(=O)NC4=CC(=C(C=C4)OC)OC 1 2.455 4 5 0 -26.1658681855006 3339973 CN1C=C(C(=O)C2=CC=CC=C21)C3=CC=CC=C3C(=O)O 1 2.675 1 3 -4.49599150571847 3339968 CC(C)N=C(C1=CC=CC=C1)NS(=O)(=O)NC(=O)C2=CC=CC=C2 1 2.433 3 3 -7.67769335351036 3339900 CC1=CC(=C(C2=NC3=CC=CC=C3N12)C(=O)NCC4=CC=CC=C4)C 1 3.896 3 1 -11.6784120846843 3339810 C1C(=O)N(C2=C(S1)C=CC(=C2)C(=O)O)CC3=CC(=CC=C3)F 1 2.802 1 3 -5.43520299142968 3339531 CC1C(=C(OC2=NNC(=C12)C3=CC=C(C=C3)C)N)C#N 1 3.108 4 1 -5.15489128865482 3339494 CCCC(=O)NCCCC1=NC2=CC=CC=C2N1C 1 2.564 3 1 -14.8539871090938 3339339 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(CC2=CC=CC=C2)C(=O)OC 1 4.02 1 4 -7.95212961854096 3339301 C1=CC(=CN=C1)CNC(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F 1 3.844 3 3 -4.78544480450948 3339184 COC1=CC=CC(=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.276 3 5 0 0.376460119319282 3339066 CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N(C)C3CCS(=O)(=O)C3)C4=CC=NC=C4 1 2.094 5 3 0 -21.8767082585323 3339005 CC(=O)N(CC1=CC=C(C=C1)F)C2=C(C(=O)C3=CC=CC=C3C2=O)NCCC4=CC=CC=C4 1 3.717 2 3 3.34888971364576e-002 3338978 C1CN(CCN1C2=CC=CC=C2O)C(=O)COC3=CC=CC(=C3)C(F)(F)F 1 3.409 2 3 1.92859881689248 3338947 CC(=O)OCC1(CN(NC1=O)C2=CC=CC=C2)C 1 1.28 2 3 0 -4.8946955324745 3338946 C1=CC=C(C(=C1)C(=O)CC#N)OC2=CC=C(C=C2)Cl 1 3.854 1 2 -2.85397112021806 3338917 COC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)N)Cl 1 1.259 3 3 0 -17.1127597052614 3338815 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C 1 2.668 4 3 0 -12.5524737029358 3338791 CN1C(=C(C(=N1)C(F)(F)F)C#N)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.851 5 0 1.84162015083292 3338789 CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCC2=CC=C(C=C2)F 1 3.993 2 2 -5.80440893082452 3338779 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N 1 2.357 5 4 0 -19.5266311952259 3338703 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C(C)C)C(=O)CN3CCCCC3 1 2.835 3 3 -12.6160795243493 3338691 CCOC(=O)NNC1CC(=O)N(C1=O)C2=CC=CC=C2 1 0.569 3 4 0 -8.02239097764221 3338620 CC1CCCC(=NNC(=O)C2=CC=CC=C2N3C=CC=C3)C1 1 3.536 3 1 -9.33890227482062 3338614 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C(C5=CC=CC=C5)C6=CC=CC=C6 1 4.32 3 3 -10.4315681644521 3338549 CCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NOC(=C3)C)O)C(=O)C4=CC5=CC=CC=C5O4)OC 1 4.535 2 7 0 -20.3159214774732 3338438 C1CCN(C1)C(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br 1 3.145 2 2 -1.79916588648827 3338392 CC1(CC2=C(CO1)C3=C(S2)C(=O)NC(=S)N3)C 1 2.355 2 2 -11.8362978480578 3338232 CC(C1=CC=CS1)NCCC2(CCOC(C2)(C)C)CC3=CC=CC=C3Cl 1 5.341 1 1 2.3334583094059 3338091 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCCC2C(=O)O 1 1.861 2 6 0 -11.5440957540984 3337960 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(=O)C4=CC=CO4)CCCC5=CC=CC=C5 1 2.804 6 4 0 -16.2038338174609 3337924 CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)OC)C 1 4.075 3 4 0 -12.5121806588298 3337780 CCC1CCCCN1CC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C 1 4.346 5 2 0 -15.2955217978325 3337771 C1CCC(C1)NC(=O)C2=NOC(=C2)C3=CC(=C(C=C3)Cl)Cl 1 4.461 2 2 -2.6884496872162 3337766 C1=CSC(=C1)C2=CC(=NO2)C(=O)NC3=CC=C(C=C3)Br 1 4.008 2 2 -5.88248181950336 3337764 CCC1=CC=CC=C1NC(=O)C2=NOC(=C2)C3=CC=CS3 1 4.202 2 2 -8.37520687025994 3337741 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 0.414 4 6 0 -22.79770628086 3337487 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-] 1 0.847 3 6 0 -27.4427952656106 3337329 CN1C=C(C=C1C2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Cl)C(=O)C4=C(C=C(C=C4)Cl)Cl 1 6.542 3 3 -4.31294641851416 3337296 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC4CCCO4 1 3.041 4 3 0 -8.70079248582212 3337153 C1CC(CCC1CNC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4)C(=O)O 1 3.795 1 6 0 -15.7596445747586 3337144 CC1=CSC(=N1)NC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3 1 1.368 4 2 0 -12.8510002672929 3337127 CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC=CC=C4)C(=O)C1)C 1 4.065 3 1 -20.3202973688986 3337125 C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=CO2)C3=CC=C(C=C3)Cl 1 3.288 3 4 0 -12.1083662187473 3337061 CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)N3C(CC(=N3)C(F)F)(C(F)F)O 1 3.725 3 2 -2.84370248469409 3336954 CCCCC(=O)NC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)OC 1 2.707 4 3 0 -22.0432071640289 3336951 CC(=O)NC1=C(N=C2N1C=CC=N2)C3=CC=CC=C3 1 1.791 4 1 0 -3.61440406400714 3336937 CC1=C(C(=NN1CC(=O)NC2=CN=C(C=C2)OC)C)[N+](=O)[O-] 1 0.81 5 4 0 -11.2657874358337 3336894 CCCOC1=CC=CC=C1C=NNC2=CC=NC(=O)N2 1 2.334 4 2 -3.04376205689697 3336880 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CON=CC3=CC=CC=C3OC(F)F 1 1.926 3 7 0 -18.4060715639228 3336867 CC1=C(SC=C1)C(=O)OCC(=O)NCCC2=CCCCC2 1 3.512 1 3 -18.3522786162315 3336815 COC1=CC=C(C=C1)CN2CN(CSC2=S)C3CCCC3 1 5.095 2 1 -2.25025497062348 3336778 C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4=CNNC4=NC3=S 1 1.925 4 1 0 -2.77591997858228 3336636 C1CN(C(=O)N1CC2=CC=C(C=C2)Cl)CC(=O)O 1 1.329 2 3 0 -6.93467561988614 3336580 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CN4C(COC5=C4C(=CC(=C5N6CCN(CC6)C)F)C3=O)C 1 3.933 5 5 0 -8.03747681820398 3336576 CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F)C(=O)OC 1 5.503 2 2 -14.2768752017205 3336546 CC(C)N1C(CCC1=O)C(=O)NCC2=CC=CC=C2Cl 1 2.004 2 2 -14.0862853138392 3336542 CC1=CC=C(C=C1)CNC(=O)C2CCC(=O)N2C(C)C 1 1.826 2 2 0 -12.7226458833557 3336510 CC1=CC(=C(C=C1)NCC2=NC3=CC=CC=C3N2C)C 1 4.109 3 0 1.37077882656462 3336376 COCCC1=NN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3 1 2.225 3 2 -10.6474357040099 3336273 CC1=C2C(C(C(CC2=NO1)(C)O)C(=O)C)C3=CC=C(C=C3)Cl 1 2.421 1 3 -8.47506741481853 3336272 CC1=CC=C(C=C1)C2C(C(N3N2CCC3)C#N)C#N 1 1.186 4 0 0 1.58662148949866 3336240 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)C(C)(C)C 1 2.072 3 7 0 -27.9606880176821 3336226 C1C(OC2=CC=CC=C2O1)CNC3=C4C=C(SC4=NC=N3)C5=CC=CC=C5 1 4.732 3 2 1.84591732318644 3336201 CCC(C)NC1=NC(=C(C(=N1)NC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-])N 1 2.264 6 4 0 -4.85388211786808 3336092 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=C(N=CC=C3)Cl 1 2.014 6 1 0 -7.76555086332346 3336081 CNC(=S)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC 1 3.999 2 2 -12.636569445014 3336070 CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC=CS3 1 1.146 3 3 0 -15.4779410767325 3336069 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3C(=O)C4CC=CCC4C3=O 1 1.585 3 6 0 -12.546972788979 3336052 CCN(CC)CC(=O)NC1=CC=CC=C1SCC(=O)NC2=C(SC=C2)C(=O)OC 1 2.641 3 4 0 -17.1141695119051 3336050 CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=CC=C4)SC5=C3CCN(C5)C 1 4.794 4 3 0 -29.1840184891036 3336043 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)NCC3=CC=CO3)C4=CC=CC=C4OC 1 3.507 4 7 0 -25.1101100915186 3336001 CC1CCCN(C1)CCCN2C(C34C=CC(O3)C(C4C2=O)C(=O)NC5=CC=C(C=C5)Cl)C(=O)NC6CCCCC6 1 3.264 4 4 0 -1.5003118972602 3335953 CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)NCC3CCC(CC3)C(=O)O 1 5.28 1 6 0 -21.8777582933179 3335927 C1CCN(C(C1)C2=CN=CC=C2)C(=S)NC(=O)C3=CC=CC=C3 1 3.826 3 1 -6.97498521580729 3335918 C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 4.317 5 2 0 -10.5316175878805 3335895 C1=CC2=NN=C(N2C=C1)SCC3=CN4C=C(C=CC4=N3)Cl 1 2.891 5 0 -8.5289743355989 3335863 CN1CCC(CC1)N(C)C(=S)NC(=O)C23CC4CC(C2)CC(C4)C3 1 3.449 3 1 -3.5336661233393 3335744 COCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC4=C(C=C3)OCO4 1 2.579 3 5 0 -26.6993841673903 3335672 C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC(=CC=C4)S(=O)(=O)N 1 3.362 3 3 -11.4779881359167 3335609 CCC1=C2CCCCC2=C(C(=N1)Cl)C#N 1 3.894 2 0 -5.58067770747334 3335528 CC(C)C(=O)N(NC1=NS(=O)(=O)C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.259 3 6 0 -9.84030502106072 3335490 CSC1=NSC(=N1)SCC(=O)N2CCCCC2 1 2.487 3 1 -11.5151805902761 3335410 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=CC=N4)S(=O)(=O)N5CCCCC5 1 1.206 6 4 0 -22.3011929676182 3335408 CC1=C(C=C(C=C1)N2C(=O)NC3=CC(=C(C=C3N2O)Cl)Cl)Cl 1 4.475 3 2 -1.95176725003453 3335282 CC1=CC2=CC=CC=C2N1CCNC(=O)C(C)C 1 2.796 2 1 -13.496705810449 3335278 CC1=CC(=CC(=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC(=C(C=C3)OC)OC)C 1 6.784 2 4 -14.33153775776 3335273 CC1CCCC(N1C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)C 1 3.502 1 3 -7.21967917688158 3335216 CC1=CSC2=NC(=O)C=C(N12)C(=O)OC 1 0.48 2 3 0 -11.4579835789255 3335209 CCC(C)NC(=O)C1=C(ON=C1C2=CC(=C(C(=C2)Cl)OC)Cl)C 1 4.146 2 3 -16.4120681079602 3335204 CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)N 1 2.961 5 3 0 -13.5744137798858 3335155 CCCCNC(=O)C12CCC(C1(C)C)(C(=O)C2Br)C 1 3.029 1 2 -11.5818565680047 3335154 CC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC(=C(C=C3)OC)OC 1 6.298 2 4 -15.497756316708 3335152 CC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC(=C(C=C3)OC)OC 1 6.298 2 4 -13.8029358547083 3335077 CC1CC2=CC=CC=C2N1C(=O)CN3C(=CC(=N3)[N+](=O)[O-])C 1 2.353 4 3 0 -14.3582590330899 3335028 C1C(=O)N=C(S1)NNC2=NC(=O)C(S2)CC(=O)NCC(=O)O 1 -0.669 5 5 0 -22.9992799048241 3334915 C1=CC=C(C(=C1)C2C(=C(OC3=NNC(=C23)C4=CC=CS4)N)C#N)C(=O)O 1 3.238 4 3 0 -12.5626517244659 3334825 CCC(CO)N1C=C(C(=O)NC1=O)C(=O)NC(=O)OCC 1 -0.5 3 6 0 -10.5189828497806 3334666 CC(C)N1CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)CC1 1 1.369 5 5 0 -17.7130698623335 3334665 CC1=CC(=CC=C1)CC(=O)NCCN2C(=CC3=CC=CC=C32)C 1 3.852 2 1 -11.8244695794505 3334662 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=CC=C(C=C4)C(F)(F)F 1 2.614 2 4 -2.81239670870657 3334643 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 1 4.584 3 3 -7.10935165157875 3334605 C1CN(C(=N1)SCC2=CC=C(C=C2)F)C(=O)C3=CC=CO3 1 3.492 2 2 -9.3565665279971 3334319 CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=CC=C(S3)Br 1 3.48 2 1 -4.48114687117207 3334279 CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)OC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 3.161 3 7 0 -18.2760552958748 3334245 CC1=NN=C(N1CCCOC)C2=C(N(N=C2)C3=CC=CC=C3)N 1 1.121 6 1 0 -9.52440833017639 3334243 CC(=O)C1=CN(C(=O)NC1=O)CC2=CC=CC=C2 1 0.468 2 3 0 -6.9641528187591 3334095 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3 1 1.091 5 3 0 -7.77124442756364 3334020 CC1(CC2=C(C(=NC(=C2CO1)N3CCOCC3)SCCC#N)C#N)C 1 2.468 4 2 -16.7559337436745 3333952 CC1=CC=C(C=C1)N(CC(=O)N)C2C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O 1 3.033 3 5 0 -4.35396459567512 3333949 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=CC=C3)C(=O)C4=CC=CC=C4 1 3.828 2 4 -6.89902613319307 3333868 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=C(C=C3)S(=O)(=O)N)C(=S)NC4=CC=CC=C4 1 4.337 4 5 0 -13.8605034942681 3333809 CC1=CC=C(C=C1)S(=O)(=O)C2CCCCC2=O 1 2.727 0 3 -6.81164629599399 3333754 CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)NC1=S 1 4.086 3 2 -13.1924684553126 3333662 COC1=C(C(=C(C(=C1)C=NNC2=CC=CC(=C2)C(=O)O)Br)Br)OCC=C 1 5.159 2 4 -6.73536921234032 3333649 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CS3 1 2.585 2 4 -20.2527585508931 3333640 COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)N4CCOCC4 1 1.287 3 6 0 -18.8132547434558 3333595 CC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CCOC 1 1.912 3 4 0 -8.6340433891177 3333588 CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 3.904 4 4 0 -20.3642742795681 3333355 CN(C)C(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C3=CC=CC=C3 1 2.465 3 4 0 -12.5893791787045 3333309 CC(C)C1(CCOC(C1)(C)C)CCNCC2=CC=C(C=C2)OC 1 3.655 1 2 -4.30252184539508 3333046 C1=CC=C2C(=C1)C=C(C3=C2C(C(=C(O3)N)C#N)C4=CSC=C4)O 1 3.19 2 2 -4.76043129696061 3333039 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NCCCN(CC)CC 1 2.626 5 4 0 -9.31143509628969 3333017 CC1=C(C=CC(=C1)Cl)OCCN2C=NC=N2 1 2.578 3 1 -1.27740570964332 3333016 C1CCC(C1)NC(=O)C2C3=CC=CC=C3C(=O)N2CCCN4CCOCC4 1 1.483 3 3 0 -14.7619133674286 3333001 C1C[N+]2(CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCO 1 1.334 1 2 0 -1.17601305691321 3332964 C1=CC=C(C(=C1)C(=O)NCCCN2C=CN=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 1.74 4 3 0 -10.371012758792 3332929 CC1=CC=C(C=C1)NC(=O)C2CCC(=O)N2C(=O)OCC3=CC=CC=C3 1 3.103 2 4 -13.1886658804994 3332875 COC(=O)C1=C(SC=C1)NC(=O)CCC2=CC=CC=C2 1 2.747 1 3 -12.8157534190538 3332860 C1=CC=C2C(=C1)C(=CN2)CCNCCC(C(F)(F)Cl)O 1 2.738 2 1 -0.749434275541586 3332859 C1CN(CCN1C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-] 1 3.81 3 4 0 1.0034617780169 3332858 C1=CC(=C(C=C1Cl)Cl)NC(=O)CC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 4.573 2 2 -1.35658329870096 3332838 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(O3)CNC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 2.971 5 6 0 -22.2036229818904 3332691 C1CCC(C1)NC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)F)Cl 1 2.581 2 2 -7.87372804248566 3332665 CC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)F 1 0.197 2 5 0 -16.0822255255768 3332664 CC1=NC2=C(C=CC=C2OC)C(=C1CCCl)Cl 1 3.868 1 1 -0.457772262518404 3332623 CC1=CC=C(C=C1)CSCC(=O)NCC2=CC=C(C=C2)F 1 3.713 1 1 -12.479978936049 3332611 CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CC4=CC=CC=C4CC3C(=O)O 1 2.827 5 3 0 -21.7685416171312 3332606 CC1CCC2=C(C1)SC(=N2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)F 1 3.43 4 1 -5.31049189908412 3332501 CC1=CC(=CC=C1)OCC(=O)N(CC2=CC=CO2)C3CCS(=O)(=O)C3 1 1.838 1 5 0 -15.2302472618992 3332422 COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCC3=NS(=O)(=O)C4=CC=CC=C4N3 1 2.23 4 4 0 -12.145275094612 3332348 C1C(=NC(=O)S1)NNC2=NC(=O)C(S2)CC(=O)NCC(=O)O 1 -0.669 5 5 0 -21.1117939387545 3332392 C1=CC=C(C(=C1)NC(=O)C2=C(N=CN2)C(=O)NN)[N+](=O)[O-] 1 -0.374 6 4 0 -9.84452524780661 3332385 CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OC 1 3.467 1 4 -13.1619305073715 3332368 COCCNC1=C(C=C(C=C1)N2C(=O)C3CCCCC3C2=O)[N+](=O)[O-] 1 2.028 3 5 0 -9.77639915632314 3332172 CN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=CC=CC=N2)Cl 1 1.174 5 3 0 -3.73218280679627 3331949 C1=CC=C2C(=C1)C(C(=O)N2)C(=O)C(=O)NC3=CC=C(C=C3)F 1 1.662 2 3 0 -8.69693454931987 3331820 C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.641 3 5 0 -10.7701938442305 3331814 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)F 1 4.356 1 1 -10.3085776044768 3331758 CCCN1C2=CC=CC=C2N=C1SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 3.156 4 2 -18.0740783622294 3331652 CCCCN1C(=NNC1=S)C2=NN(C(=C2Cl)C)C 1 3.318 5 0 -2.55604223960822 3331502 CC1=CC=C(C=C1)NC(=O)COC(=O)C(C(C)O)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.208 2 6 0 -15.8224490308232 3331464 CC1=NN=C(N(C1=O)N)SCC(=O)NC23CC4CC(C2)CC(C4)C3 1 1.262 5 2 0 -16.2694500013008 3331437 CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)NC(=O)C3=CC=CO3 1 3.565 2 7 0 -16.6856342087424 3331243 CCN1C2=C(C=C(C=C2)N=C3N(C(=O)C(S3)CC(=O)NC4=CC=CC=C4OC)CCOC)C5=CC=CC=C51 1 5.008 4 4 0 -8.67831746822598 3331216 COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3C=C(C=N3)Cl)C(F)(F)F 1 4.764 4 1 9.42692228430979 3331206 COC1=C(C=C(C=C1)C(=O)NC2=NN=C(O2)C3=COCCO3)OC 1 0.336 3 6 0 -11.1172141515107 3331190 CC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4OC)SC2=S 1 5.943 3 4 0 -18.7844717545631 3331187 CCC(C)N(C)C1CCN(CC1)C(=S)NC2=CC(=CC=C2)OC 1 4.392 3 1 -10.7620038415439 3331170 CC1=CC=C(C=C1)C(=O)CC(C(=O)O)NCCN2CCOCC2 1 -1.487 2 4 0 -8.54383181973584 3331167 CCN(C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O)C(=O)OC2=CC=CC=C2 1 3.933 1 5 -9.32996670790416 3331139 CC1=CC(=C(C=C1)C)N(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C(=O)C4=CN=CC=C4 1 3.592 3 3 -9.32496802261194 3331087 CC(=O)NC(CSC(CC(=O)C1=CC(=C(C=C1)OC)OC)C2=CC=C(C=C2)Cl)C(=O)O 1 3.352 1 6 0 -15.7376022174875 3331081 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.2 3 5 0 -9.15764662564514 3331067 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C=CC=C3Cl)F 1 3.131 3 1 -3.43306467661726 3330944 CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)CO)C4=CC=CC=C4)C)C 1 5.473 3 4 0 -6.81143494468466 3330852 CC(=NNC(=O)C)C1=CC(=CC=C1)C(F)(F)F 1 1.941 2 1 0 -0.939644212487065 3330796 CCC1=NN=C(S1)NC(=O)CC2=C(N=C(S2)C)C3=CC=C(C=C3)C 1 3.491 4 1 -10.4305999415605 3330597 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)NC4CCCC5=CC=CC=C45 1 4.752 2 4 -10.9130988696126 3330500 CC1=CSC(=N1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F 1 1.689 3 3 0 -12.5922298927337 3330477 CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3=CC=C(C=C3)OC)C(=O)C4CCCO4 1 2.925 2 4 -14.9599113281547 3330456 CCOC1=C(C=C(C=C1)C(CCC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)OC)OCC 1 5.643 1 5 -16.5000934874222 3330432 C1CC(=O)N(C1=O)CC(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4C=C3 1 1.902 3 3 0 -2.33561038031947 3330376 C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=C(C=C3)F)CC#N 1 2.888 3 1 -6.21823568514094 3330375 COC(=O)C1=NN(C(=C1C=NO)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 5.074 3 3 4.62764312103699 3330324 C1CC2CC1C3C2C(=O)N(C3=O)CCC(=O)OCC(=O)C4=CC=C(C=C4)Cl 1 2.43 1 5 -15.3991594208402 3330272 CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC=CC=N3)N4CCCC4 1 3.438 3 1 -13.0972973522941 3330269 CC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)F 1 2.619 5 3 0 -2.16385717348745 3330197 CC1(C2=CC=CC=C2C(=O)N(C1=O)C3=CC=C(C=C3)OC)C 1 3.336 1 3 -1.7200137651914 3330179 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)C4=CC(=CC=C4)F 1 3.379 3 3 -12.0971901168938 3330147 CC1CCCCN1C2=NC3=NON=C3N=C2N4CCCCC4C 1 2.241 6 1 0 -13.8209689618365 3330064 C1C2C=CC1C3C2C(=O)N(C3=O)NC(=O)COC4=C(C=C(C=C4)Cl)Cl 1 2.108 2 4 -2.04416864714482 3330061 C1=CC=C(C=C1)CC(CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)O 1 4.075 1 3 -4.52404971149048 3330059 C1=CC=C(C=C1)C[N+]2=CN(C=C2)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-] 1 5.454 6 4 0 0.737355910446341 3329966 COC1=C(C(=C(C=C1)C=NNC2=C(SC=C2)C(=O)OC)OC)OC 1 3.208 2 5 0 -4.00314812852197 3329962 C1C2CC3CC1CC(C2)(C3)C(=O)NN=CC4=CC=CC=N4 1 2.852 3 1 -4.92222011203512 3329931 CCOC(=O)C1=NN(C(=O)C1)C2=CC=C(C=C2)Cl 1 2.137 2 3 -5.80830745468111 3329831 CC1=CC(=C(C=C1)C)C(C)NC(=O)C2=CC=CC=C2Br 1 4.719 1 1 -7.75856729126978 3329816 CCC(C)NC(=O)C1=CC2=C(S1)N=C3C(=CC=CN3C2=O)C 1 2.32 3 2 -22.7179968240036 3329711 CC1=CC=CC=C1C(=O)NC2CCCCCCC2 1 4.295 1 1 -9.17477632183517 3329683 CC1CC(CN(C1)CCCNC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CC(CC(C4)C)C)C 1 2.377 5 4 0 -31.8388117273609 3329682 CC1=NN(C=C1CNC(=O)C2C3CCC(C3)C2C(=O)O)C 1 0.876 3 3 0 -8.63400668297299 3329566 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=CO3 1 2.521 3 8 0 -20.3070625295847 3329485 CC1CCCC(N1C(=O)C2=CC=CC=C2NC3=CC=C(C=C3)SC(F)F)C 1 5.83 2 1 -6.45106908755918 3329439 COC1=C(C=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)O)C(=S)NC3=CC=CC=C3F)OC 1 6.017 2 4 -14.1879146877294 3329435 CCOC1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)N4CCN(CC4)C5=CC=CC=N5)O 1 2.95 5 4 0 -3.07778620956177 3329425 CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C 1 4.022 3 3 -15.0547957540169 3329323 C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC=C(C=C3)O 1 2.489 2 5 0 -5.21742697060072 3329295 CC1=NC2=C(C=NN2C(=C1)SCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4 1 3.621 4 1 -11.0351847613032 3329238 C1=C(C=C(C(=C1NC(=O)CNCCCO)Cl)NC(=O)CNCCCO)C(F)(F)F 1 -0.337 4 4 0 -0.206342989084771 3329237 CC1=CC=C(C=C1)CCNC(=O)C2=C(ON=C2C3=CC(=C(C(=C3)Cl)OC)Cl)C 1 5.287 2 3 -12.5375562355389 3329236 CC1=C(C(=NO1)C2=CC(=C(C(=C2)Cl)OC)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4 1 4.248 2 5 0 -14.9092690428564 3329119 CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S 1 1.864 4 4 0 -13.3307186560095 3329117 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C)C(=O)N5CCN(CC5)C6=CC=CC=C6OC 1 4.591 7 2 0 -10.2805174229435 3329098 C1=CC=C(C(=C1)C(=O)NNC2=C(C=C(C=N2)C(F)(F)F)Cl)N 1 2.885 4 1 2.48929098817736 3329089 CCCCNC(=O)N1CCC2=C(C1)C3=CC=CC=C3N2 1 2.86 3 1 -11.8181277065753 3328992 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(C2C(C)C)C(=O)C)[N+](=O)[O-] 1 1.806 3 5 0 -14.6866315063233 3328991 CC1=C(SC(=N1)NC(=O)C)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 1.856 5 3 0 -0.818236995471022 3328957 C1N(CSC(=S)N1CC2=CC=CC=C2)CC3=CN=CC=C3 1 4.143 3 0 -3.48534237325284 3328955 COC1=CC=C(C=C1)CN2CN(C(=S)SC2)CC3=CC=CC=C3 1 5.277 2 1 -2.41631982629488 3328950 CC(C)(C)N1CN(C(=S)SC1)CC2=CC=CC=C2 1 4.641 2 0 -5.8501989687488 3328834 CC1=CC(=C(C=C1)C(=O)NN=C(C)C2=CC=C(C=C2)N3C=CN=C3)C 1 3.306 4 1 -6.00387121766135 3328790 CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)N3CCOCC3 1 2.98 1 6 0 -24.5591915470272 3328782 COCCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 -0.506 3 7 0 -31.96329487469 3328590 C1C(SC(=NC1=O)NN=CC2=CC=CO2)C(=O)NC3=CC=C(C=C3)Cl 1 3.03 4 3 0 -5.01050972166574 3328589 CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)OCC 1 4.735 2 2 6.53755016646045 3328365 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(SC(=N3)NC4=CC=C(C=C4)[N+](=O)[O-])C 1 3.075 5 3 0 -10.0709267750529 3328142 CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CNC(=O)C3=CC=CO3 1 2.451 4 4 0 -16.4912144637217 3328135 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC=CN3C4=CC=C(C=C4)Cl 1 4.62 3 1 -7.52920274094895 3328008 CC1CC(CN(C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C 1 1.862 3 4 0 -15.1632081965344 3327927 C1CC(=O)N(C1C(=O)O)CC2=CC=C(C=C2)F 1 1.24 1 3 0 -7.78485815106843 3327844 CC1(C(=O)N(C(=O)N1)CC(=O)N(C)C2CCCCC2)C3=CC(=CC=C3)Br 1 2.948 3 3 -8.19971597419274 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8 0 -12.8844433722437 3318612 CC1=CSC(=C1NC(=O)C(C2=CC=CC=C2)Cl)C(=O)OC 1 3.496 1 3 -7.48563997650683 3318597 C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-])Cl 1 2.805 4 4 0 -10.6678182498341 3318525 COC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N 1 2.614 6 3 0 -2.55157503991454 3318459 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C(=O)OC(C)C)C 1 5.984 2 4 -24.4407007900359 3318392 CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)OCC4CCCO4)C 1 4.555 2 3 -7.1079355909764 3318373 C1=CC(=CC(=C1)Br)CSCC(C(=O)O)N 1 -0.564 1 2 0 -10.0169304095718 3318371 C1=CC=C(C(=C1)CSCC(C(=O)O)N)Cl 1 -0.648 1 2 0 -10.6001846934603 3318361 CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)OC(C)C 1 3.534 2 5 0 -15.5708000542631 3318359 CC(C)C1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)SC4=NC=NN4 1 3.842 4 3 0 -4.15489253379145 3318321 CCCCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)N4C=CC=C(C4=N2)C 1 3.872 4 3 0 -21.4554828273134 3318260 CC(=O)NC1=CC=C(C=C1)NC2=C(C3=NON=C3C(=C2)N(C)C)[N+](=O)[O-] 1 2.126 6 4 0 -1.1434361958311 3318255 C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 4.691 3 3 -6.26231464991488 3318216 CCC1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)SC4=NC=NN4 1 3.59 4 3 0 -4.67779036622217 3318213 CC1=CC(=C(C=C1C)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)SC4=NC=NN4)C 1 4.106 4 3 0 -0.954169737063401 3318032 C1=CC=C(C=C1)C2=NN=C(N(C2C3=C(C=C(C=C3)O)O)O)C4=CC=CC=C4F 1 4.063 3 3 4.45353301112037 3317986 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 4.132 2 4 -16.5760313391974 3317921 CCCCNC1=NC(=NS1)CC(=O)C 1 1.231 3 1 0 -5.29420007013425 3317909 CC(C)(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC5=C(O4)C(=CC=C5)OC 1 4.191 2 6 0 -14.5117567509596 3317823 C1COCCN1C2=CC=CC=C2NC(=S)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl 1 3.685 4 4 0 -17.7167194935174 3317720 CN1C=CC(=N1)C(=O)OCC(=O)C2=CC=C(C=C2)OC 1 2.003 2 4 -11.6305722187965 3317712 C1=CC=C(C=C1)SCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.96 3 3 -21.0415074559081 3317697 CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)OC)C4=C(S2)C(=O)NC(N4)C5=CC=C(C=C5)OC)C 1 4.622 3 5 0 -5.11650681476801 3317679 CCCCC(C(=O)O)NC(=O)CCC1=C(C2=C(C(=C3C(=C2)C4=C(O3)CCCC4)C)OC1=O)C 1 5.58 1 6 0 -22.8636157964664 3317667 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O 1 1.089 3 5 0 -17.6944183351596 3317655 CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.705 2 6 0 -18.8919944409811 3317579 COC(=O)COC1=CC=CC(=C1)C=NNC(=O)CCSC2=CC=CC=C2 1 3.015 2 4 -12.6496015732153 3317447 CC(C(=O)N)OC(=O)C12CC3CC(C1)CC(C3)(C2)O 1 0.698 1 4 0 -4.82334099286812 3317325 C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N 1 1.197 5 2 0 -2.86494050398171 3317315 COCCN(CCOC)C1=NC(=C2C(=C1C#N)C3=C(N=C2N)N(C(=O)C3)CC4=CC=C(C=C4)Cl)N 1 1.703 7 3 0 -6.02867027563342 3317300 C1CCCN(CC1)C2=NC(=NC(=N2)NN)NC3=CC=C(C=C3)[N+](=O)[O-] 1 1.87 8 2 0 -1.07905347177598 3317291 C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.264 4 3 0 -6.66637754588715 3317253 CCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)NCCCO)C 1 1.995 3 2 0 -7.02427651677721 3317235 COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC=CS3)C4=CC=C(C=C4)OC 1 4.336 2 3 -10.2109363843583 3317219 CC1CC(CN(C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCCC3)C 1 2.19 3 3 -15.9011350026617 3317218 C1CCC(=CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 3.309 2 3 -19.7724141718336 3317178 COC(=O)C1=CC=C(C=C1)NC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3 1 4.16 2 3 -5.18126868594902 3317168 CCON=CC(=O)NC1=C(C=C(C=C1)F)F 1 1.614 2 2 0 -2.61649141707512 3317166 C1=CC(=CC=C1CCN2C=CN=C2)[N+](=O)[O-] 1 1.722 3 2 0 -0.630442354782632 3317165 CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C(=O)C(=O)N(C)C 1 3.625 2 2 -4.38805556120324 3317148 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.872 3 4 0 -22.0767680460928 3317064 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Br)C3=NC=C(C=C3)Br)O 1 3.173 2 3 -17.3873203521221 3316998 C1=CC=C2C=C(C=CC2=C1)SCC(=O)NCCC3=CC(=C(C=C3)O)O 1 3.76 1 3 -1.47099270386013 3316951 CC12CCCC3=CC4=C(C(=CC=C4)[N+](=O)[O-])OC31N(C5=CC=CC=C25)C 1 5.116 2 3 -3.69724378177049 3316950 CC1(C(N(C(=O)N1CC(=O)NCC(=O)OC)C2=CC=CC=C2)N(C(=O)NC3=CC=CC=C3)O)C 1 1.503 5 6 0 -19.3075541538182 3316871 CC1=C(C(NC(=O)N1)C2=CC=CC=C2F)C(=O)N3CCOCC3 1 0.516 3 3 0 -28.3853301137704 3316814 CC1=C(SC2(N1C3=CC=CC=C3)N(N=C(S2)C(=O)OC)C4=CC=CC=C4)C(=O)C 1 6.361 3 3 -7.95996377169004 3316727 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3 1 2.099 4 2 -8.88109420888974 3316706 CCC(C(=O)C1=CC=CC=C1)P(=O)(C2=CC=CC=C2)NN 1 2.331 2 2 -6.40067332362369 3316604 CC(=NNC(=O)C1=CC=CC=C1Br)C2=CC=C(C=C2)N3CCOCC3 1 3.262 3 2 -7.47328000529002 3316595 CC(C)CCNC1=NC(=O)C(S1)CC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.201 3 4 0 -23.8314819117924 3316589 CCOC(=O)CCNC(C1=CC=CC=C1)C(=O)OCC 1 1.863 1 4 0 -13.8627647956128 3316566 CCN1C=C(C(=N1)C)C(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-] 1 2.276 4 3 0 -8.41061142418384 3316418 CC(=NNC(=O)CNC(=O)C1=CC=NC=C1)C2=CC=CO2 1 -3.2e-002 4 3 0 -12.2066973477478 3316323 CCOC(=O)C1=CC(=NC2=C1C(=NN2C3=CC(=CC=C3)Cl)C)C4=CC=CO4 1 4.798 3 3 1.31155396396362 3316161 CC1=CC=C(C=C1)C=NN(C2=NC(=CS2)CCl)C(=O)C 1 3.1 3 1 -1.74339571950831 3316145 C1=CC(=CC=C1C2=NC=C(S2)C(=O)C3=CC=C(C=C3)Cl)Cl 1 5.235 1 1 5.99892041378395 3316095 CCCCSC1(C2(C(=C(NC(C2(C(=N1)N)C#N)C3=CC=CC=C3)C)C)C#N)SCCCC 1 5.588 5 0 -4.76393334560709 3316051 C1CCN(C1)C(=O)CCSC2=CC=CC=C2 1 2.346 1 1 -7.2514364834189 3316041 CC1=NC2=CC=CC=C2C(=C1)C(=O)NNC(=O)C3=CC=CC=C3F 1 2.545 3 2 -8.01892416062075 3315999 C1=CSC(=C1)C(=O)NNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.383 3 4 0 -9.12718817576624 3315926 CC(=NNC(=O)CON=C(C)C1=CC=CS1)C2=CC=C(C=C2)N 1 1.568 4 2 0 -8.09356098480983 3315899 CC1CCCC(N1C(=O)COC2=C(C=C(C=C2)C=NNC(=O)C(=O)N)OC)C 1 1.072 4 5 0 -16.9027679905544 3315894 CCOC1=C(C=C(C=C1)CC(=C2C(=O)CC(CC2=O)(C)C)NCCO)OCC 1 2.364 1 5 -16.3279069023598 3315893 CCCCCNC1=NC(=NC(=N1)N2C=CN=C2)C3=CC=CC=C3 1 3.398 6 0 2.0800680695302 3315762 COC(CNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4)OC 1 2.639 3 6 0 -12.9348119063518 3315745 CC1=NN(C(=C1)N)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 0.416 5 5 0 -18.6863341299513 3315699 CCCC(=NNC(=O)C1=CC=CC=C1O)C 1 1.871 2 2 0 -5.96961124883784 3315687 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4F 1 4.095 1 1 -8.12573724271173 3315637 CC1(CC2=C(C(NC(=O)N2C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C1)C 1 1.861 3 4 0 -20.6697138704873 3315601 C1=CC=C2C(=C1)N=C(N2CC(=O)NCC(F)(F)F)NCCO 1 0.957 4 2 0 -14.636703143035 3315584 CC1(CC(CCO1)(CCNC(=O)CCl)C2=CC=CC=C2)C 1 2.535 1 2 -19.1928791929383 3315570 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC2C3=CC(=C(C=C3)OC)OC 1 5.292 2 4 -11.9190550455106 3315569 CC1=CC(=CC=C1)NC(=S)N2CCCC2C3=CC(=C(C=C3)OC)OC 1 5.574 2 2 -4.94664461121229 3315568 CC1=CC=CC=C1NC(=S)N2CCCC2C3=CC(=C(C=C3)OC)OC 1 5.574 2 2 -7.69863948455314 3315517 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCNC2=CC=CC=C2OC 1 1.331 3 6 0 -19.1678888529301 3315507 CC(C)(C)C(=O)CN1CCN(CC1)C2C3=CC=CC=C3C4=CC=CC=C24 1 4.289 2 1 -3.63523338805046 3315505 CC1=CC(=NN1CCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)[N+](=O)[O-] 1 2.436 5 4 0 -23.5501668179404 3315504 CC1(CC(=O)C(=CNC2=NC(=CC=C2)NC=C3C(=O)CC(CC3=O)(C)C)C(=O)C1)C 1 1.672 3 4 0 -6.93392998420627 3315441 CC(C(=O)N)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC 1 1.497 2 6 0 -20.58174377635 3315386 COC1=CC=C(C=C1)NC(=S)N2CCCC2C3=CC(=C(C=C3)OC)OC 1 5.072 2 3 -6.93864562055448 3315384 CC1=C(C=CC=C1Cl)NC(=S)N2CCCC2C3=CC(=C(C=C3)OC)OC 1 6.239 2 2 -3.87800769342728 3315310 CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=CC=C3 1 3.25 4 1 -11.6871764310298 3315279 CSC1=C(N=C(O1)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)F 1 4.371 1 3 -2.10184437150502 3315171 CC1=C(C2=C(O1)C=C(C(=C2[N+](=O)[O-])O)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)OC)OC 1 3.197 2 9 0 -3.52145225870486 3315168 CC1=C(C(=C(C=C1)S(=O)(=O)NN)C)N2CCCC2=O 1 0.597 3 3 0 -10.8285876494545 3315146 C1=CC(=C(C=C1C2=NC3=C(C=C(C=C3)Cl)C(=O)N2O)Cl)Cl 1 4.499 2 2 8.40474019999495 3315092 COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 2.515 4 4 0 -4.23732157014702 3315017 C1=CC=C(C(=C1)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Cl)Br 1 3.868 3 2 0.722415720183904 3314986 CCC(C)OC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)Br)O)OCC)C 1 3.153 2 5 0 -28.2066046362328 3314935 COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OC(C4=CC=CC=C4)C(=O)O)OC2=O 1 4.117 0 6 -13.4799104431554 3314882 C1=CC=C(C=C1)CC2C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC(=C3)C#N 1 1.601 4 3 0 -9.80488296987404 3314738 COC(=O)C1=NC(=CC=C1)OC2=CC=CC(=C2)C(F)(F)F 1 4.004 1 3 -1.16107888804939 3314638 CC1CCCCC1NC(=O)CSC2=NN=NN2C 1 1.461 5 1 0 -25.8325460493142 3314619 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 -0.18 3 8 0 -19.3399919934071 3314616 CC1CCCC(C1C)NCC(COC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)O 1 5.178 1 2 -6.42016581606647 3314615 C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=C(N=CC=C4)Cl 1 3.068 2 3 -5.82542110968901 3314370 CCOC(=O)C1=NN(C(=N1)C)C2=C(C=C(C=C2)Cl)Cl 1 3.267 3 2 -1.70911238360904 3314365 C1=CSC(=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)C#N 1 2.287 4 2 -10.283060338478 3314351 COC1=CC=CC=C1NC2=C3C=CSC3=NC=N2 1 3.184 3 1 -0.274020363461842 3314337 CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-] 1 3.406 4 7 0 -32.5090600899327 3314184 COC1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=CC=C(S3)Cl 1 2.851 3 3 4.48492913009918 3314147 CC(=NNC(=O)C1=C(C=C(C=C1)Cl)Cl)C2=CN=CC=C2 1 2.842 3 1 -3.71719235512647 3314137 CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)SC4=NN=C(S4)NC5CCCCC5 1 4.681 4 3 0 -14.4224305931673 3313956 C1COCCN1CC(C2=CC=CC=C2)C(C3=CC=C(C=C3)F)O 1 2.829 1 2 -2.89371294668915 3313907 C1=CSC(=C1)CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.037 2 3 -16.8790410071172 3313891 CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3(CC3(Cl)Cl)C)C 1 3.51 3 1 -7.34260979239058 3313877 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3=NC=CS3 1 0.512 3 3 0 -10.5313494813907 3313569 CC1=CC=C(C=C1)SC2=CC(=O)N(N=C2C(=O)OC)C3=CC=C(C=C3)OC 1 3.849 2 4 -2.32473271765225 3313567 CN(C)CCCNC(=O)C1=CC(=CN1)C(=O)C2=CC=CC=C2F 1 2.233 3 2 -5.92400050263303 3313533 CC1=C(C=C(C=C1)NC(=O)CC2=CC=CS2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 3.56 2 4 -10.3111024451551 3313505 C1=CC=NC(=C1)CNC2=NC(=C(S2)C#N)Cl 1 1.855 4 0 0 0.297680789677618 3313428 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)OCCO3 1 2.206 1 4 -16.2360487569093 3313339 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3CCCO3 1 0.906 3 5 0 -21.8144602583142 3313257 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC=C3 1 3.971 4 3 0 -10.6190212308782 3313214 CC1=CC=C(C=C1)CNC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 4.548 1 4 -13.4681615317222 3313154 C1=CC=C(C(=C1)C=NNC2=C3C=CC(=CC3=NC=C2)Cl)Br 1 5.047 3 0 3.67910261335905 3313095 CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=CC=C4)N5CCOCC5)C 1 4.523 1 5 -8.4910637479333 3313092 CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CN=CC=C4)N5CCOCC5)C 1 3.372 2 5 0 -10.1545775098146 3313091 CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CN=CC=C4)N5CCCCC5)C 1 4.602 2 4 -9.45320680488816 3313064 CC(C(=O)NNC(=O)OC)OC1=C(C=C(C=C1)Cl)Cl 1 2.498 2 4 -7.30642099576362 3312874 CC1=C(C=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)O 1 4.298 1 2 -3.32924336731757 3312872 CCCCOC1=CC=C(C=C1)C2=C(C=NN2)C=O 1 3.155 2 2 -1.8999458035041 3312717 COC1=C(C=C(C=C1)NC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3)S(=O)(=O)N5CCOCC5 1 2.649 2 6 0 -18.6309522659559 3312689 C1COCCN1CCCNCC2=CC=CO2 1 0.438 2 2 0 -2.64661553703866 3312589 COC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CO5 1 1.907 5 4 0 -22.6293779532704 3312555 CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C)(C)N3CCN(CC3)N=O 1 2.48 7 1 0 -5.98443969233122 3312436 CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCN(CC3)C 1 2.163 7 3 0 1.99067647820077 3312365 C1CN2C(N(C(=O)N2C1)C3=CC=C(C=C3)Cl)C4=CN=CC=C4 1 2.068 4 1 -2.95656209706917 3312345 CC(=O)NC1=CC=C(C=C1)NC2CCCCC2NS(=O)(=O)C3=CC=CC=C3 1 2.749 3 3 -12.3073665098742 3312307 CCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2C(CNC3=C2C(=O)N=C(N3)NC(=O)C(C)C)C 1 4.023 6 3 0 -15.0040453791037 3312295 CCC(=O)NC(C(=O)C1=CC=C(C=C1)C)O 1 1.661 1 3 0 -6.36016067310079 3312262 CC(=NNC(=S)N)C1=CC=C(C=C1)N2C=CN=C2 1 1.45 5 0 0 -4.71905008176681 3312244 C1CC(OC1)CN2CN(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=C(C=C5)Cl 1 3.432 4 3 0 -13.0220080893552 3312243 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=C(C=C4)F)C(=O)NCC5CCCO5 1 1.848 5 3 0 -24.3746099888991 3312168 CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)OC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 4.258 3 5 0 -17.1195669944474 3312060 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3C=NC4=CC=CC=C43 1 2.231 3 3 -3.86469940256808 3311904 CC(C)(C)N1C(=C2CSCC2=N1)NC(=O)CC3=CC=C(C=C3)F 1 3.078 3 1 -5.94751499416479 3311872 CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl 1 4.298 3 2 -12.0083947098795 3311871 CC(C)CC1(C(=O)N(C(=O)N1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C 1 2.139 3 6 0 -4.84689776555455 3311797 CN(C1CCCCC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3CCCC4=CC=CC=C34 1 4.319 2 5 0 -18.1866539932124 3311773 CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)C)C)[N+](=O)[O-] 1 2.225 3 4 0 -6.42239252770023 3311767 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4 1 3.556 3 2 -21.7823889147975 3311680 CC1=CC(=NN1C(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)OC)C 1 1.905 3 4 0 -15.6781088990978 3311675 CCCCN(CC)C(=O)CC1=CN(C2=CC=CC=C21)C 1 3.455 2 1 -8.56039787396205 3311615 C1C2C=CC1C(C2C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O 1 1.267 1 5 0 -9.11316975030744 3311528 CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4CCCCC4)C 1 3.447 4 4 0 -19.9360312054053 3311464 CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCN(CC3)C 1 1.696 7 2 0 7.16338414856738 3311423 CC1=C(C=C(O1)C(C)(C)C)C2=CC(=NN2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.243 4 4 0 -5.41764477823719 3311415 CC1=NN=C(O1)SCCC(=O)NC2=CC=CC=C2Cl 1 2.097 3 2 -16.1499274380459 3311133 CC1=C(C(=O)NN1)CC(=O)NN=C(C)C2=CC(=C(C=C2)Cl)Cl 1 1.387 4 2 0 -9.13959065198812 3311122 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=CC3CCCCC3)C 1 4.47 4 1 -13.7272554268183 3311109 COCCCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2 1 1.654 4 3 0 -20.3767484663428 3311104 COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4)OC 1 2.729 4 5 0 -25.9646600674434 3311090 CC1CCN(CC1)CCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4 1 3.217 3 3 -6.42455819897129 3311082 CC1=C(C(=C(S1)NC(=O)C2CCCCC2C(=O)O)C(=O)N)C3=CC=CC=C3 1 2.714 2 4 -6.03465474372585 3311070 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC4=C(C=C3)OCO4 1 3.722 3 4 0 -9.45434880808005 3311060 C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCN 1 4.284 1 0 1.97308035076727 3311051 CC1=CC(=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)SC4=NC=NN4)C 1 3.62 4 3 0 -2.39503294483226 3311028 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C(=CC=C3)OC)OC)C(=O)NC4=NC5=CC=CC=C5S4 1 4.089 3 4 0 -34.485395794157 3310979 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NCCCN2C=CN=C2 1 2.312 3 2 -5.26989291042842 3310937 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)C3=CNC(=C3)C(=O)NCCCN4CCOCC4 1 2.262 4 4 0 -9.33706217480584 3310880 CC(C)C(=O)NC1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)NC3=CC=CC=C3OC 1 3.63 3 4 0 -13.4335234159628 3310867 CN(C)C1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2 1 1.876 6 2 0 -1.75325163043534 3310796 CC1=CC(=C(N1CC=C)C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-] 1 2.749 3 6 0 -23.0808333974359 3310712 COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.281 2 5 0 -13.4683036485528 3310659 C1=CC=C(C(=C1)OCCOCCO)OCCOCCO 1 0.456 0 6 0 -3.59726206305334 3310634 CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCOCC5 1 2.35 3 6 0 -11.7471485727486 3310633 COC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NNC3=CC=C(C=C3)C(=O)O)OC 1 4.477 2 6 0 -10.1978199949215 3310627 C1C2CC3CC1CC(C2)(C3)NC(=O)NN=CC4=CC=NC=C4 1 2.007 4 1 -6.03218281035226 3310612 CCCCN1C2=C(C(=O)CC(C2)(C)C)C(C1=O)(C(F)(F)F)NC(=O)C3=CN=CC=C3 1 2.366 3 3 -16.1832543917696 3310551 C1=CC=C(C=C1)CCCC(=O)NC2=NC=CS2 1 2.559 2 1 -8.55533945989483 3310540 CC1=CC=C(C=C1)C2=NN=C3N2C4=CC=CC=C4N=C3C(F)(F)F 1 4.717 4 0 1.95024606960767 3310491 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4F 1 1.229 6 5 0 -23.7307250048917 3310466 CC(C(=O)NN=CC1=CC=CC2=CC=CC=C21)N3C=C(C(=N3)OC)[N+](=O)[O-] 1 2.994 5 4 0 -4.41313139765843 3310419 CC1=NN(C(=C1C(=O)OC(C)C(=O)NC(=O)NC2CCCCC2)Cl)C3=CC=CC=C3 1 3.835 4 4 0 -11.0691320915881 3310357 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])CN4C5=CC=CC=C5C(=O)C4=O 1 3.646 4 5 0 1.59464540853162 3310334 COC1=CC(=CC=C1)OCC(=O)NNC(=O)C(=O)NC2=C(C=C(C=C2)OC)OC 1 0.924 3 7 0 -16.1369830981994 3310271 CC1=CC(=C(C=C1)NC(=O)CC2=CC=C(C=C2)N3C=CC=C3)C 1 4.498 2 1 -7.23880071349999 3310225 CC1=CC=CC(=C1)C(=O)NC(C(Cl)(Cl)Cl)NCCC2=CC=CC=C2 1 4.829 2 1 -12.1835738206216 3310191 CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC(CC3=O)C4=CC=CC=C4 1 1.857 4 4 0 -22.2474033463685 3310156 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)N 1 1.918 3 2 0 -3.12325472092231 3310135 CC1=C(C(=NC(=N1)C)NN=CC2=CC=CC=C2)CC=C 1 2.818 4 0 -5.07916962729233 3310123 C1CCC2=NC3=C(C(=O)N2CC1)SC(=C3)C4=CC=CC=C4 1 3.966 2 1 -6.15867283773379 3310118 CC1=C(OC(=N1)C2=CC=CC=C2)C(=O)OC 1 2.081 1 3 3.57288906724391 3310093 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3F)CC4=CC=CC=C4 1 4.737 4 2 -7.20882017375759 3310084 CCC1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)N3C=CC=C3 1 4.468 2 1 -5.13259773040683 3310083 C1=CC=C(C(=C1)CNC(=O)CC2=CC=C(C=C2)N3C=CC=C3)Cl 1 4.197 2 1 -9.95659362617886 3310081 CCC1=CC=CC=C1NC(=O)CC2=CC=C(C=C2)N3C=CC=C3 1 4.468 2 1 -6.69415551656956 3309980 C1=CC(=CC=C1OCC(CN(CCO)CCO)O)Br 1 1.111 1 4 0 0.85772175758713 3309924 CON=CCC(=O)NC1=CC=C(C=C1)F 1 1.094 2 2 0 -4.04033902274267 3309923 CC1=C(C(=NC(=N1)C2=CC=CC=C2)Cl)Cl 1 3.491 2 0 6.7874614458812 3309922 C1CCN(C1)C(C2=CC(=C(C=C2)Cl)Cl)C3=CC4=C(C=C3O)OCO4 1 4.831 1 3 0.741246456501605 3309837 CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F 1 2.02 6 3 0 -32.0130121967497 3309818 CCOC(=O)NC1=C(C=CC(=C1)C(=O)OC)C 1 2.284 1 4 -10.4290859400073 3309727 CC1(CC(=O)C(=CNCCN2CCN(CC2)CC(=O)NC3=CC=CC=C3)C(=O)C1)C 1 0.901 4 3 0 -16.2438189061234 3309683 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NS(=O)(=O)C2=CC=C(S2)Cl 1 2.166 2 4 -3.07253545775386 3309652 CCOC(=O)C1=C(NC(=S)NC1C)C 1 1.467 2 2 0 -20.1918918524376 3309627 CC(=O)C1=NN(C(N1C2=CC=C(C=C2)N(C)C)C3=CC=CS3)C4=CC=CC=C4 1 4.82 4 1 -11.8124280928754 3309622 CCC1=CC=C(C=C1)N(CC)C2=NC=NC3=C2NC=N3 1 2.711 5 0 -2.27275404089549 3309585 CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCC3 1 2.54 6 2 0 1.87021994288363 3309546 CCOC(=O)NNC1=C(C2=NON=C2C=C1)[N+](=O)[O-] 1 1.428 5 5 0 -9.40983351393057e-002 3309540 CN(C)C1=CC=C(C=C1)NC(=S)NCC2CCCO2 1 3.033 3 1 -14.4235738867692 3309534 C1C(C1C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 2.143 3 4 0 -9.91364977266182 3309492 CC1=C(C(=CC=C1)C)N2C(=NN(C2=O)CCOC3=CC=CC=C3)C 1 3.802 3 2 -3.75122625774632 3309479 CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)F)F 1 3.423 3 2 -20.8471149250137 3309473 COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=CC=CO4 1 2.057 6 4 0 -25.0004486752102 3309390 CC(=O)NC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N 1 0.31 6 3 0 -4.28798099038621 3309354 CC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)F)OC)OC 1 3.071 1 4 -12.6625695554972 3309221 COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N 1 2.614 6 3 0 -1.89952262021906 3309127 COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CO3)S2)CC=C 1 3.68 2 4 -13.7790123028104 3309087 C1COCCN1CCN2C(=O)C(SC2=NC3=CC=C(C=C3)OC(F)F)CC(=O)NC4=CC=CC=C4 1 3.74 4 4 0 -9.15336334785877 3309041 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C 1 1.737 4 4 0 -10.2062256669866 3308980 COC1=CC=C(C=C1)CCN2C3=C(C=C(C2=N)C(=O)NCC4CCCO4)C(=O)N5C=CC=CC5=N3 1 1.501 5 4 0 -25.492117042186 3308885 CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C 1 1.027 5 3 0 -5.18716082921164 3308710 C1C2CN(CC1C3=CC=CC(=O)N3C2)CC(CN4CC5CC(C4)C6=CC=CC(=O)N6C5)O 1 -0.295 4 3 0 -2.70392555556836 3308690 CC(=NNC(=O)C1CC1(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CS4 1 4.233 2 1 -4.32925058345693 3308688 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC(=C(C=C3)OC)OC)C(=S)NC4=CC=CC=C4 1 5.599 3 5 0 -12.432415549032 3308621 CC1=CC(=C(C(=C1)C)NC(=S)N(CCCOC)C(C)C2=CC=NC=C2)C 1 5.248 3 1 -6.16563117333053 3308565 CCCN1CCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])CC1 1 1.515 5 5 0 -19.8522554125491 3308544 CC1=NC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(C)(C)CO 1 1.141 4 5 0 -4.42915265210339 3308335 C1CCN(CC1)CCN2C3=CC=CC=C3N=C2NCC4=CC=C(C=C4)Br 1 4.817 4 0 -3.04902233400266 3308299 C1CCC(CC1)NC(=O)C(=O)NCC2N(CCCO2)S(=O)(=O)C3=C(C=CC(=C3)F)F 1 1.712 3 5 0 -19.2072693587044 3308295 C1=CC=C(C=C1)CNCCCCC(=O)O 1 -0.83 1 2 0 -8.16642618739703 3308292 C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 2.086 1 8 0 -11.0734358348514 3308263 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C(S3)NC4=CC=CC=C4F 1 3.176 5 3 0 -26.9553996713082 3308150 CC1=C(SC=C1)C(=O)OCC(=O)C2=CC=CN2 1 2.766 1 3 -10.0243716439284 3307990 CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCC(F)(F)F 1 1.899 5 3 0 -18.6126711427579 3307988 C1CCN(CC1)C2=NC(=C3C(=C2C#N)C4=C(N=C3N)OC(C4)C5=CC=CC=C5)N 1 3.109 6 1 0 -2.74671082376861 3307928 CC(=NNC(=O)C1=CC=C(C=C1)O)C2=CC3=C(C=C2)SC4=CC=CC=C4N3 1 4.26 3 2 -6.08391697457729 3307859 CC(C)CC(=O)NCCNC(=O)C1=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F 1 3.587 2 4 -19.4055645688045 3307856 CN(C)C1=NN(C(=N1)N(C)C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.758 5 2 0 -2.93591465677533 3307854 CC1=NC2=C(C=CC=C2OC)C3=C1CCN3C4=CC=CC=C4 1 4.113 2 1 -2.55426717983222 3307848 COC1=C(C=C(C=C1)C2CCCN2C(=S)NC3=CC(=CC=C3)OC)OC 1 5.072 2 3 -6.72177813008846 3307847 CC1=C(C(=CC=C1)C)NC(=S)N2CCCC2C3=CC(=C(C=C3)OC)OC 1 6.06 2 2 -7.02442921018592 3307846 CC1=CC(=C(C=C1)NC(=S)N2CCCC2C3=CC(=C(C=C3)OC)OC)C 1 6.06 2 2 -8.03612570976156 3307845 CC1=C(C=C(C=C1)NC(=S)N2CCCC2C3=CC(=C(C=C3)OC)OC)Cl 1 6.239 2 2 -6.4024343106327 3307843 CC1=CC(=C(C=C1)NC(=S)N2CCCC2C3=CC(=C(C=C3)OC)OC)Cl 1 6.239 2 2 -3.30307701438357 3307842 COC1=C(C=C(C=C1)C2CCCN2C(=S)NC3=CC(=CC=C3)Cl)OC 1 5.753 2 2 -4.08542090783597 3307778 C1CC(=O)N(C(=O)C1)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-] 1 3.132 4 4 0 -5.1224870740921 3307777 CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)CCCC3=O)[N+](=O)[O-] 1 1.711 4 6 0 -10.0580617059601 3307731 C1CN(CC=C1C2=CC=CC=C2)C3=NC=NC4=C3NC=N4 1 1.929 5 0 0 -0.342880702567787 3307677 CC(C(=O)O)NC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC=C3 1 1.298 5 3 0 -15.0612467049073 3307545 CCCCC1CCC(CC1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 3.109 2 5 0 -17.9580437696125 3307466 CC1=CC(=C(C=C1)C)S(=O)(=O)NC(C)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3 1 4.843 3 3 -4.9087839631481 3307442 CC1=CC(=C(C=C1)C)CSC2=NCCN2C(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 4.793 3 3 -13.4788954045829 3307432 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O 1 3.661 5 3 0 -19.9923935597419 3307396 CC1=NN(C(=C1C=NNC2=CC=CC(=C2)C(=O)O)Cl)C3=CC=CC(=C3)C(F)(F)F 1 4.989 4 2 5.59717640813215 3307316 CCNC(=O)CC1C(=O)N=C(S1)NN=C(C)C2=CC=CC=C2 1 1.723 4 2 0 -16.9807992521628 3307279 C1COC2=C(O1)C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.109 2 6 0 -16.3403512046547 3307158 CC(C(=O)O)NC1=NC2=CC=CC=C2CCC1 1 1.958 2 2 0 -10.4097920997138 3307112 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CS3)N4CCOCC4 1 2.889 3 5 0 -11.227369730911 3307068 CC(C(=O)OCC(=O)C1=C(N(C(=O)N(C1=O)C)C)N)OC2=C(C=C(C=C2)Cl)Cl 1 1.89 3 6 0 -17.5389416797569 3306975 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CC=C(C=C3)N(C)C 1 2.998 3 6 0 -16.2109019602834 3306964 CCCC(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)[N+](=O)[O-] 1 2.339 2 5 0 -12.2246344183306 3306908 CC1=CC(=NC(=N1)C(C)C)N2CCOCC2 1 1.188 3 1 0 -3.71282454137806 3306906 CCN1C(=NN=C1SCC2=CC=C(C=C2)C)COC3=NN(C(=O)C=C3)C4=CC=CC=C4 1 4.529 5 2 0 -11.5020088166645 3306905 CCN1C(=NN=C1SCC=C)COC2=NN(C(=O)C=C2)C3=CC=CC=C3 1 3.077 5 2 0 -12.436189537074 3306903 CCN1C(=NN=C1SCC(=O)OC)COC2=NN(C(=O)C=C2)C3=CC=CC=C3 1 2.167 5 4 0 -17.2818715928604 3306887 CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 1.688 4 5 0 -19.1716623861496 3306795 CCCC1C(=O)N=C(S1)NN=CC2=CC=CS2 1 3.368 3 1 -7.57119923058734 3306751 CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.214 4 3 0 -24.5906608127094 3306711 CC1=NN=C(S1)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2 1 2.926 4 1 -11.5864617436902 3306710 CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)CCC2=CC=CC=C2OC)Br 1 4.779 1 4 -12.1541359775023 3306623 CC1=C(C(=NN1C)C)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.06 3 2 -0.159308873494876 3306503 CCN(CC)C(=O)C12CC3CC(C1)CC(C3)(C2)Br 1 2.965 1 1 -4.73123438236692 3306499 COC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-] 1 2.682 4 5 0 -13.6392021116782 3306429 CC1=CC=C(O1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3CC5=CC=CC=C5 1 4.326 4 3 0 -3.83390452920452 3306255 CC(C(C(=O)OCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O 1 1.131 2 8 0 -18.9117297351357 3306250 C1CC2=C(C1)C=C(C=C2)NC(=O)NC3=CC=CC=C3Cl 1 4.244 2 1 -6.91672137091824 3306187 CC(C)COP(=O)(C(C1=CC2=C(C=C1)OCO2)O)OCC(C)C 1 2.89 0 6 -5.07292054648663 3306160 COC1=C(C=C(C=C1)C=NC2=NC3=CC=CC=C3N2CCN4CCCCC4)OC 1 4.712 4 2 -1.72191367989948 3306150 C1C2C1C(N(C2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)O 1 1.041 1 4 0 -9.97159020817876 3306133 CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC=CC=C3)C(=O)CCC2 1 1.248 4 1 0 -19.2966555714349 3306093 CC1=CC(=NO1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCC4 1 1.344 4 7 0 -32.2990218682 3305780 CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C)C4=CC=CO4)Cl 1 3.33 3 4 0 -2.26954504191611 3305779 CC1=CC(=CC(=C1)N2C(=O)CC(C2=O)CN3C(=CC(=N3)C)C)C 1 2.6 3 2 -9.70446909027604 3305769 CC1=CC(=CC=C1)NN=C(C=NN)C(=O)C2=CC=C(C=C2)Br 1 3.9 4 1 0.563549768041118 3305661 CCOC(=O)C1C(C1C(=O)NC(C)C)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 1.898 2 4 0 -7.27576638215479 3305646 CC1=C(C=C(C=C1)Cl)NC(=O)NCC2=CC=CC=N2 1 2.744 3 1 -7.40033763613886 3305597 COC1=CC=CC(=C1OC)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)Cl 1 3.098 3 5 0 -6.42783055176157 3305561 C1CS(=O)(=O)CC1N(CC2=CC=CC=C2Cl)C(=O)C3=C(C4=CC=CC=C4S3)Cl 1 4.817 1 3 -6.63710361502268 3305470 CC1=CC(=NO1)NC(=O)CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4 1 1.127 6 5 0 -25.3613541627012 3305329 C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C2=CC(=CN=C2)Br 1 2.754 2 4 -8.13954853970058 3305316 CC1=CC(=NC2=NC(=NN12)SCC3=CC(=CC=C3)F)C 1 3.657 4 0 -8.41734374673209 3305284 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 0.843 4 7 0 -26.2181643159044 3305282 CC1=C(C(=CC=C1)NC(=S)NN=CC(C)C2=CC=CC=C2)C 1 5.448 3 0 -5.01408739790347 3305179 CC(=O)N1CC2=CC=CC=C2CC1C(=O)O 1 0.854 1 3 0 -6.82235182940984 3305174 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCSC2C3=C(C=C(C=C3F)F)F 1 6.084 2 2 -18.2011035638179 3304983 COC1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.28 2 4 -14.4437553740842 3304981 C1COCCN1C(C#N)(C2=CC=C(C=C2)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.552 3 1 3.10445352084484 3304976 CC1=CCC(CC1=NNC(=O)CNC2=CC=CC=C2OC)C(=C)C 1 3.239 3 2 -9.91656588771514 3304964 CCN1CCN(CC1)C(=O)CCC2=NC3=CC=CC=C3N2C4=CC=CC=C4 1 3.324 4 1 -4.72061176483973 3304918 C1COC2=C(O1)C=CC(=C2)C3=NN=C(O3)NC(=O)CCOC4=CC=CC=C4 1 2.324 3 5 0 -6.66208033002665 3304875 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)C)C 1 4.391 3 3 -36.1880958903495 3321424 CC1CCN(CC1)C(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)C5=CC=CC=C5)C 1 4.803 5 1 -10.1859592634617 3304841 C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)CSC2=NNC(=N2)N 1 1.727 6 3 0 -10.7679885702982 3321332 C1=CC2=NC3=C(C=C(C(=N)N3CC4=CC=CO4)S(=O)(=O)C5=CC=C(C=C5)Br)C(=O)N2C=C1 1 2.406 4 4 0 -21.5648593711841 3321237 CC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CO4 1 3.994 3 4 0 -8.48717889726063 3321231 CCC(C)(C)NC(=O)CN1C(=C(C=C1C2=CC=CC=C2)C(=O)C)C 1 3.339 2 2 -11.2593642929521 3321230 CC1=C(C=C(N1CC(=O)NC2CCCC2)C3=CC=CC=C3)C(=O)C 1 3.286 2 2 -9.60144489661587 3321229 CC1=CC(=CC=C1)NC(=O)CN2C(=C(C=C2C3=CC=CC=C3)C(=O)C)C 1 3.947 2 2 -5.09295504160901 3321151 C1=CC2=C(N=C1)N=C(N2OCC3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl 1 3.805 3 1 4.2469321249501 3321144 CCOC(=O)C(CC(=O)C1=CC=C(C=C1)Cl)(C(=O)OCC)O 1 2.234 0 6 -3.19333743702145 3321104 CC1CCCC(C1C)NC(=O)COC(=O)CCC2=CC=CC=C2 1 3.665 1 3 -13.810775682074 3321091 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4 1 4.088 3 5 0 -21.0943903202564 3321006 CC(=O)NC(C(=O)NC1=CC=C(C=C1)OC)C(=O)NC2=CC=C(C=C2)F 1 1.184 3 4 0 -8.00440615029012 3320959 C1CN(CCC1C(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 2.769 3 5 0 -18.3156056721115 3304642 C1CC(OC1)CN2C(=NN=C2SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CS4 1 3.193 5 4 0 -19.8108646912012 3320932 CC1CCCCN1CCCNC(=O)C2CCCN(C2)S(=O)(=O)N3CC(CC(C3)C)C 1 1.828 4 3 0 -21.440315459813 3320895 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC(=C(C=C4)F)F 1 3.305 3 6 0 -15.4302646534903 3304640 CC1=C(SN=N1)C(=O)NN=CC2=C(C=CC=C2Cl)F 1 2.672 4 1 -13.2299773771456 3320856 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC(=CS2)C3=CC=CC=C3 1 2.089 2 3 -19.0144867118021 3320815 CN1CCC2=C(C1)C=C(C(=N2)SCC3=C(C(C(=C(O3)N)C#N)C4=CC=CC=C4F)C(=O)OC)C#N 1 3.219 5 3 0 -19.1888502310896 3320807 CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCC(C3=CC=CC=C3)O 1 1.508 3 4 0 -5.8966461400134 3304557 CC1CCCC(C1C)NC(=O)COC(=O)CC2=CC(=C(C=C2)C)C 1 4.181 1 3 -11.5061304004979 3304555 CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CN=CC=C3)O 1 1.032 3 5 0 -21.8300567009975 3304472 CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)NC4=CC=CC=C4OC 1 3.358 2 6 0 -14.6283779507413 3304461 C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=C(C=CC=C3F)F)C4=CC=C(C=C4)F 1 4.61 2 2 -16.8066031960962 3304383 C1CN(CCN1C2CC(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 3.316 3 2 6.2008506815453 3304297 CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)OC(=O)C2=CC(=C(C=C2OC)OC)OC 1 4.363 1 6 0 -9.85366768166363 3304290 CCOC(=O)C1=C(SC=C1C2COC3=CC=CC=C3O2)NC(=O)C4=CC(=C(C=C4)OC)OC 1 3.97 1 7 0 -10.9076378339946 3304289 CCNC(=O)CC1C(=O)N=C(S1)NC2=CC=C(C=C2)C 1 2.16 3 2 -14.6234267616888 3304245 CC1=CC=CC(=N1)C=NNC(=O)C2=CC(=CC=C2)NC(=O)C 1 1.364 4 2 0 -8.48723783685675 3304227 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC(=O)NC4=CC=CC=C43 1 0.509 3 7 0 -29.4897941554768 3304205 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C(F)(F)F)C 1 3.89 4 2 2.32211942370845 3304200 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN=C2SC 1 2.123 3 3 -16.5378138996845 3304199 C1CCN(C1)C(=O)CSC2=NN=C(O2)CNC(=O)COC3=CC=C(C=C3)Cl 1 1.498 4 4 0 -22.1266301108901 3304180 CC12CC3CC(C1)(CC(C3)(C2)NC4=NC(=NC5=CC=CC=C54)N6CCOCC6)C 1 3.569 4 1 0.492437854205483 3304165 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NNC(=O)C3=CC=C(S3)Br 1 1.747 3 4 0 -7.80395712351578 3304124 CC(=NNC(=O)CNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CO3 1 2.648 3 3 -15.6347068041634 3304102 C1=CC=NC(=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl 1 2.631 1 3 -5.99907000116275 3304075 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 2.578 2 8 0 -23.5615718773086 3303968 C1COC2=C(O1)C=CC(=C2)C3=NN=C(O3)NC(=O)CCC4=CC=CC=C4 1 2.732 3 4 0 -7.81097223134551 3303914 CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C(=O)C(=O)N(C)C 1 2.191 3 4 0 -6.85234403908222 3303878 CC1=CC(=NN1C2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl)C 1 4.757 3 0 2.85506311510607 3303874 C1=CC(=CC=C1C(=O)CC(C2=C(C=C(C=C2)Cl)Cl)C(=O)O)Cl 1 4.903 0 3 -0.329752268856128 3303867 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)OC 1 3.1 4 5 0 -6.19591826130931 3303785 CC1=C(C=C(C=C1)NC(=O)CC(C)CC(=O)NCC2=CC=CC=C2)Cl 1 3.816 2 2 -11.5397986691702 3320663 CC1CC2=C(C3N1CC4=CC=CC=C34)NC5=CC=CC=C25 1 4.199 2 0 -6.197997559721 3320660 C1CC(=O)N(C1C(=O)O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 2.377 1 4 -11.8935539026214 3320634 CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC)C5=CC=CC=C5 1 3.155 2 7 0 -18.0901229416723 3320490 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)NCC5=CC=CO5 1 4.424 3 4 0 -11.4131604707736 3303688 CC1=CC(=C(C=C1)OC)NC2=NC=C(C3=CC=CC=C32)C(=O)OC 1 3.364 2 3 -3.86226664077988 3320469 CC(CC(=O)NC1=CC=C(C=C1)C(=O)N)C2=CC=CC=C2 1 2.359 2 2 -9.29276048422221 3303584 CN1CCN(CC1)CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-] 1 0.808 4 4 0 -4.38252730664483 3303583 C1COCCN1CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-] 1 0.538 3 5 0 -8.77550860792174 3303563 COC1=CC(=C(C=C1)NC(=O)NCCCCC2=CC=CC=C2)OC 1 3.73 2 3 -13.5574425799536 3303549 C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC(=CC=C3)F 1 3.504 2 2 -8.74235689425348 3303548 C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3F 1 3.504 2 2 -12.1398509414513 3303541 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)NCC3=CC=CO3 1 1.048 4 7 0 -29.8814659394059 3320248 C1=CC=C(C=C1)C2=CC(=CC(=[N+]2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-] 1 4.786 1 2 -4.18873316717566 3320221 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)N 1 0.17 2 5 0 -14.0080792667298 3320220 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(N=CC=C2)SC 1 0.389 2 5 0 -24.6727408631643 3320216 C1=CC=C2C(=C1)NC(=N2)CC(=NNCCC#N)C3=CC(=CC=C3)Cl 1 3.603 5 0 -1.39358739538445 3320093 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C 1 2.843 2 5 0 -17.3843836254866 3303380 CC1=CC(=C(C=C1)C(=O)CC2=CC3=C(C(=CC=C3)OC)OC2=O)C 1 4.255 0 4 0.524659804040357 3303352 C1CN(CCN1CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 2.48 4 4 0 -3.13088934823623 3303336 CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC 1 1.55 4 7 0 -11.0227444942778 3303327 CC1=C(C(=NN1CC2=NC(=NO2)C3=CC=CS3)C)Br 1 2.776 4 1 -4.23829949564198 3320063 CC1=CC(=CC=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4 1 3.732 4 3 0 -17.3324073851898 3320062 C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 4.929 4 3 0 -6.00266830024227 3320059 C1=CC=C2C(=C1)C(=NC3=CC=CC=C3O2)N 1 2.399 2 1 -2.58048359265197 3320056 CCN1C=C(C2=CC=CC=C21)C(=O)N3CCCCC3 1 3.009 2 1 -8.85568753042175 3319928 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=O)C4=CC=CC=C4O3)OC 1 3.314 2 5 0 -4.8197664812068 3303229 C1CCCC(CC1)NC(=O)CC2=CC=C(C=C2)N3C=CC=C3 1 4.263 2 1 -7.47842449599502 3303189 CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 2.678 2 5 0 -10.7519137484213 3319900 CC1=CC(=C(C=C1)OC)NC(=O)CNC(C)C(=O)NC2=C(C=CC(=C2)Cl)Cl 1 3.339 3 3 -8.38441372151557 3319881 C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCOC(=O)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N 1 3.076 6 4 0 -20.9875534659269 3319860 C1CCC(CC1)N2C(CCC2=O)C(=O)NCCCN3CCOCC3 1 0.777 3 3 0 -16.0058565985955 3319858 CC1=CC=CC=C1CSCC2=CC=C(O2)C(=O)NCCCN3CCOCC3 1 3.018 2 3 -14.3114371178394 3319847 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2CCCC3=CC=CC=C23 1 2.754 2 3 -11.3108598303502 3303143 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[N+](=O)[O-] 1 1.795 4 6 0 -24.1958741332412 3303130 CC1=NC(=CC=C1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)OC5=CC=CC=C5 1 5.147 2 4 -12.9920785109703 3303073 CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F)OC 1 2.359 3 4 0 -12.0980349408272 3319788 C1=CC=C(C=C1)CC(=O)C2=CNC(=C2)C(=O)N 1 1.656 2 2 0 -1.9550372302528 3319738 CC12C(C3C4=CC=CC=C4C1C5=CC=CC=C35)C(=O)N(C2=O)C6=CC(=CC=C6)OC(=O)C7=CC=CO7 1 5.044 1 5 -7.73461594716922 3319719 CC1=CC(=C(C=C1)OCC(=O)NC2=NN=C(S2)C3CCCO3)Br 1 2.752 3 3 -10.9733402725492 3319692 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC=CC=C3)N(C)C)C)C 1 4.322 3 3 -13.9189660016754 3319690 CN(C)C(CNC(=O)C1=CC=CC=C1OCC(=O)NC2=CC(=C(C=C2)OC)Cl)C3=CC=CC=C3 1 4.056 3 4 0 -12.4308780335967 3303027 COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)NC2=S 1 4.017 3 4 0 -11.1875338741526 3303013 CCOC(=O)C1=C(OC(=C(C1C2=CC=CO2)C#N)C)N 1 1.148 2 4 0 -16.8425425514072 3302999 CC(C(=O)OC(C)C(=O)NCC1=CC=CC=C1)NC(=O)C2=CC=CO2 1 1.752 2 5 0 -16.1884255992426 3302998 C1C(OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-] 1 1.701 3 6 0 -8.77699302890051 3319672 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)F 1 1.712 2 3 0 -22.6197975140113 3319655 COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4C=CN=C4)OC 1 2.942 4 3 0 -8.76194946584248 3319654 CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NOC(=C4)C 1 4.372 3 2 -13.0220559512498 3319624 CC1CN(CC(O1)C)CC2=CC(=O)N=C(N2)C3CC3 1 0.757 3 2 0 -10.3286406846654 3319616 C1=CN=C(N=C1)C2=C(SC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.371 4 4 0 2.22559155543874 3319614 CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3CCCC4=CC=CC=C34 1 4.988 2 2 -14.4826686528708 3319603 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC3=CC=CC=C3N2 1 4.128 4 1 -3.75680789721668 3319593 CC(=O)N1CC(C(=N1)C(=O)C2=CC(=CC=C2)OC)C3=CC=CO3 1 1.889 2 4 0 -7.14999434778029 3319585 CCCS(=O)(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)[N+](=O)[O-] 1 1.041 5 5 0 -24.4674760643991 3302892 C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC(=CC(=C2)F)F 1 3.517 1 3 -12.7292464411099 3302843 COC1=CC=C(C=C1)CCNC(=O)C2CC=CCC2C(=O)O 1 2.128 1 4 -8.62102306522113 3302829 CC1=C(SC=C1)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 2.932 2 4 -8.25550583476027 3302810 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2Cl)F)F 1 3.603 1 3 -6.4292076796053 3302721 C1OC2=C(O1)C=C(C=C2)C=NNC3=CC(=C(C=C3)Cl)C(=O)O 1 3.511 2 4 -4.02491350482752 3302690 CCC(CC)NC(=O)CN1C2=CC=CC=C2N=C1C(C)NC(=O)C 1 2.189 4 2 -13.2687086907318 3302676 C1CC2CC1C3C2C(=O)N(C3=O)CC(=O)OCC(=O)C4=CC=C(C=C4)Br 1 2.266 1 5 -13.3517480528263 3302640 COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)NC2CCCC2 1 2.098 1 6 0 -14.8185139033167 3302584 C1COCCN1CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 0.415 2 5 0 -10.7812676479388 3302532 C1=COC(=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=C(C=C2)F 1 0.982 2 5 0 -12.8209371048584 3302526 CC1CC2=CC=CC=C2N1CC(=O)NC3=C(C=CC(=C3)Cl)OC 1 3.728 2 2 -7.43576299922834 3302392 CC1CCN(CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)OC)OC 1 4.21 4 4 0 -26.1736431203251 3302389 CCCN(CCC)CC(CN1C(=O)C(N(C1=O)CN2C(=O)N(C(=O)C2(C)C)CC(CN(CCC)CCC)O)(C)C)O 1 2.641 6 6 0 -6.80002770402671 3302367 C1CCC(CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 1.613 2 6 0 -27.2420436678792 3302352 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=CN=C2)Br)N 1 -0.16 4 5 0 -17.7993044037777 3302341 COC1=CC=C(C=C1)C=NN=C2N(C(=O)C(S2)CC(=O)O)C3=CC=CC=C3 1 3.582 3 4 0 -11.5503473605072 3302336 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.998 3 1 1.33972641832082 3302334 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.776 3 2 0.493656849774261 3302211 CC1=C(C(=CC=C1)NC(=O)NCC2=CN=CC=C2)C 1 2.351 3 1 -7.23431060059413 3302103 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)N 1 2.208 3 5 0 -17.3128338204682 3302102 CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)S(=O)(=O)N3CCCCC3 1 0.762 4 7 0 -30.959245319051 3302100 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2OC)N 1 1.134 3 6 0 -16.5056959643928 3302099 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CC2=CC(=C(C=C2)OC)OC)N 1 0.244 3 7 0 -20.9705944719796 3301986 COCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)Br)O 1 1.523 2 4 0 -4.46507386368322 3301981 C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NCC4=CC=CC=C4 1 3.076 2 3 -10.826845033328 3301980 CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(O4)C5=CC=C(C=C5)Cl 1 4.336 3 2 -0.392465307608474 3301880 C1=COC(=C1)C2=CN=NN2C3=CC=C(C=C3)C4=CSC(=N4)N 1 2.991 5 1 6.69281179549149 3301879 CC1=NC(=CS1)C2=CC=C(C=C2)N3C(=CN=N3)C4=CC=CO4 1 3.457 4 1 3.88656827841215 3301777 CN1CCC(=NNC(=O)CN(C2=C(C=CC(=C2)Cl)OC)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)CC1 1 2.338 4 6 0 -18.2993977192329 3319499 CCOC(=O)C1CN(C2=C(O1)C=C(C=C2)CC(=O)OC)S(=O)(=O)C3=CC=CS3 1 2.193 1 7 0 -15.7873899431124 3319390 C1=COC(=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl 1 5.414 5 2 0 -8.97789954874963 3319388 C1=CC(=CC=C1C#N)OCC(=O)N2C=C(C=N2)C(=O)C3=CC(=CC(=C3O)Cl)Cl 1 4.133 3 4 0 -0.656551519666365 3319384 CC(C(C1=CC=CS1)N2CCCC2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 3.276 4 3 0 -7.49577808392691 3301649 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)OC)O 1 0.271 2 6 0 -17.6412031233684 3301648 CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)CCC4=NNN=N4 1 3.469 7 0 0 -0.17767479675886 3301646 CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(F)(F)F)CCO 1 3.314 3 1 0.36803729746119 3301641 CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1 1 2.087 2 1 -5.94551980263706 3301621 CCOC(=O)CN1C(=O)CN(C1=N)C2=NC(=NC(=N2)OC)NC(C)C 1 0.663 7 4 0 -17.590275842614 3301535 C1=CC(=CC(=C1)F)NC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N 1 0.713 6 3 0 2.19329119333417 3301428 C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)CCC(=O)NC3=CC=CC=C3 1 3.996 1 4 -17.4828491525765 3301345 COC1=CC=CC=C1N2C(=O)CCC2(C#N)C3=CC=C(C=C3)Br 1 3.556 2 2 -3.29620284322187 3301343 CC1(CC2=C3C4=C(C(=NC=N4)NCCN)SC3=NC(=C2CO1)N5CCOCC5)C 1 1.486 6 2 0 -13.8080260645184 3301279 CCC(C)(C)C1CCC(=NNC(=S)NC2=CN=CC=C2)CC1 1 4.282 4 0 -13.1972385594612 3301255 CN1C(=C(C(=N1)C2=CC=CC=C2)C=NOC)Cl 1 2.751 3 1 5.98177825715695 3301209 CCCCSCCCNC(=O)NC1=CC=C(C=C1)CC 1 3.893 2 1 -10.6705515980774 3301206 COC1=CC=CC(=C1)NC(=O)NCCCSC2CCCCC2 1 3.464 2 2 -9.94572138641801 3301126 CC1=C(C=CC(=C1)C(=O)NC2=NC=NN2)[N+](=O)[O-] 1 1.297 5 3 0 -11.7603664344056 3301109 CC1(CC2=C(C(C(=C(O2)N)[N+](=O)[O-])C3=CC(=C(C=C3)O)OC)C(=O)C1)C 1 1.887 2 6 0 -13.9429579024836 3301042 COC1=CC=CC=C1NCC(=O)NNCC(=O)NC2=CC(=C(C=C2)F)Cl 1 1.696 4 3 0 -6.79547499351706 3301028 CCOCCCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC(=CC=C3)OC)O 1 2.406 3 5 0 -10.8944228132218 3301027 CCOCCCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC=C(C=C3)OCC)O 1 2.755 3 5 0 -12.1604001153013 3300900 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(C)C3CCS(=O)(=O)C3 1 1.688 3 3 0 -15.685301168627 3300777 CC(C)C(CC(=O)N1CCC2(CC1)OCCO2)NS(=O)(=O)C3=CC=C(C=C3)OC 1 1.523 2 6 0 -18.6846978271222 3300772 CC1(CC1(Cl)Cl)C(=O)NC(=S)N(C)C2=CC=CC=C2 1 3.867 2 1 -6.43886028197156 3300752 CC1=CCC(CC1=NNC(=S)NC2=CC=C(C=C2)C)C(=C)C 1 5.484 3 0 -7.80897006432538 3300651 CC(C)(C)N1C(=O)NC2(C1(N(C(=O)N2C)C)C3=CC=CC=C3)C4=CC=CC=C4 1 3.267 4 2 -7.24403400443005 3300645 COC1=C(C=C(C=C1)C2=CN3C=C(C=CC3=N2)[N+](=O)[O-])OC 1 2.379 3 4 0 -3.21439725379472 3300523 CC1CC(C(=O)O1)CC(=O)NNC2=NC(=CS2)C3=CC=CC=C3 1 1.778 3 3 0 -0.54462664123375 3300368 CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C(C2=O)C 1 2.162 3 2 -8.07254480543744 3300197 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)Cl 1 3.353 3 5 0 -8.82380125262988 3300162 CC1=CC=C(C=C1)C(O)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 1 4.751 0 4 -0.80352524776149 3300116 COC1=CC(=CC(=C1OC)OC)C=NN=C(C2=NON=C2N)N 1 0.714 6 4 0 -6.8962461140045 3300075 CC(=NNC1=CC=CC(=C1)C(=O)NN=C(C)C2=CC=CC=C2)C3=CC=CC=C3 1 4.263 4 1 -6.77549518174785 3300071 CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NN=C3CC4C3C=CC4 1 4.817 2 2 -0.106522149163972 3300003 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4 1 1.956 5 3 0 -21.2374144439791 3299974 CCN1C(=NN=C1SCC2=CC=C(C=C2)OC)COC3=NN(C(=O)C=C3)C4=CC=CC=C4 1 4.027 5 3 0 -11.8439320771736 3299932 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=C(C=C3Br)OCO4)C 1 3.464 4 4 0 -2.10023815907862 3299927 C1CCC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.498 2 3 -16.0307239126073 3299924 C1CN(CCC1C(=O)NNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4 1 3.028 3 3 -2.41185388501807 3299914 CC(=NNC(=O)CSC1=NC2=CC=CC=C2S1)C3=CC=CO3 1 3.078 3 2 -8.22639387293893 3299911 CC1CC(CN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC)C 1 4.9 2 3 -11.8860151603552 3299775 C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)CN2C=NC=N2 1 1.381 4 1 0 -15.0558593874934 3299740 CC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.258 3 2 -3.62813834129805 3299700 CN(C)C(CC1=CC=C(C=C1)C#N)C(=O)C2=CC=CC=C2 1 3.494 2 1 -1.65047509241844 3299571 CCCC(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC 1 1.658 2 6 0 -17.1492815135378 3299569 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CO3)N4CCCC4 1 3.104 3 5 0 -3.87312863591579 3299498 CC1=C(C(=NO1)C(=O)NNC(=S)NC)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.014 6 3 0 -21.7004888304099 3299497 CC(C)(C)C(=O)ON=CC1=C(N(C2=CC=CC=C21)C)Cl 1 3.984 2 2 -0.781000573815943 3299490 CC1=C(C=C(C=C1)S(=O)(=O)NN=C(C)C2=CC3=CC=CC=C3O2)[N+](=O)[O-] 1 3.342 3 5 0 -2.76851582247405 3299411 CC1=C(SC(=N1)N=CC2=CC=C(C=C2)N(C)C)C 1 2.367 3 0 5.50267294238884 3299387 C1CCC(CC1)N2CC(=O)N(C(C2=O)C3=CC=C(C=C3)F)CC4COC5=CC=CC=C5O4 1 3.777 2 4 -7.18940082000495 3299281 C1=CC(=CC=C1NC(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl)F 1 3.739 2 1 1.18457542471707 3299248 COC1=CC=CC=C1NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2 1 -1.319 5 6 0 -20.6239085927377 3299137 CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=CC=NN3C 1 3.244 5 1 -11.2920332244012 3299013 CN1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)OC)NC(=O)C(F)(F)F 1 1.529 3 3 0 -7.98575372340056 3298992 CC(=C)CNC(=S)NN=C(C)C1=CC=C(C=C1)OC 1 3.258 3 1 -10.3481652295506 3298972 C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)N)C3=CC=C(C=C3)F 1 2.909 3 2 3.42147479800737 3298863 CC1=CC=CC=C1N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4CCCC4 1 2.959 3 3 -5.58166571750988 3298745 CC(C)CCN1C(=NNC1=S)COC2=CC=CC=C2 1 3.517 3 1 -7.17714259823376 3298744 C1=CC=C2C(=C1)C(=CN2)C(CN)C3=C(C=C(C=C3)Cl)Cl 1 4.23 2 0 3.54355592996303 3298589 CC1=C(C=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=CC=C4)C 1 3.439 3 3 -4.87665318440256 3298558 C1CN(CCN1C2=CC=CC=C2)C(=O)CCCCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 1 4.287 4 4 0 -6.44096897744527 3298532 CCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)C4CCCO4 1 2.892 4 2 -12.6874762757042 3298512 CCCCC(=O)NC1=C(SCC1)C(=O)OC 1 1.1 1 3 0 -9.02934935600557 3298508 CC1=CC=C(C=C1)NC(=O)NC(=O)N(C2CCCCC2)S(=O)(=O)C3=CC=CC=C3 1 4.428 3 4 0 2.53394245000059 3298419 C1CN(CCN1C(=O)COC2=C(N=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 0.946 4 6 0 -22.9713382823201 3298370 CC(=NNC(=O)C1(CC1(Br)Br)C)C2=CC=C(C=C2)NC(=O)C3CCC3 1 3.169 3 2 -5.32556656382347 3298363 CCOC(=O)C=C(C(=O)OCC)C(=O)OCC 1 1.352 0 6 0 0.118144045377813 3298343 CC(C)C1=CC=C(C=C1)NC(=O)NCC2=CC3=C(C=C2)OCO3 1 3.492 2 3 -5.90484166121053 3298295 CC(C)C1=CC=C(C=C1)CC(C)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1 5.158 0 3 -7.52300299486036 3298294 CCCCCCCC=NNC1=NC(=O)C(=NN1)CC2=CC=CC=C2 1 3.866 5 1 -15.2864611698465 3298282 CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC=CS3 1 3.703 2 3 -4.72053047695498 3298278 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br 1 3.338 3 4 0 -19.0125565746653 3298219 CC1=CC=C(C=C1)S(=O)(=O)NNC2CC(=O)N(C2=O)C3=CC=C(C=C3)Br 1 2.179 3 4 0 -8.12134486733278 3298195 CCCOC1=CC=C(C=C1)CCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 3.444 3 5 0 -7.97438331554659 3298100 CC1CC(=S)NC2=CC=CC=C2N1CC3=CC=CC=C3 1 4.379 2 0 -4.06070089539101 3298085 C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)NC2=S 1 3.292 3 3 -19.2204261452912 3298051 COC1=CC=C(C=C1)C2C3=C(C(=O)N2C4=CC=CC=N4)OC5=CC=CC=C5C3=O 1 3.306 2 4 -6.41967703952666 3297978 CC1=C(C=C(C=C1)NC(=O)CN(CC2=CC=CC=C2O)CC3=CC=CO3)C 1 4.035 2 3 -1.06347546783337 3297969 CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=C(C=CC=C3F)F 1 2.232 3 3 -10.4259840602884 3297922 CC1=C(N=NN1C2=NON=C2N)C(=O)NN=C(C)C3=CC=C(C=C3)OCC4=CC=CC=C4 1 2.7 8 3 0 -28.1281711148056 3297811 C1C(=O)N(C(S1)C2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5)CC6=CN=CC=C6 1 4.299 4 3 0 -3.16996454954682 3297392 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3C(=O)C4(CCCCCCC4)NC3=O 1 3.037 4 6 0 -12.8043400475899 3297379 CCN1CCN(CC1)C2=NC(=C(C(=N2)NC3=CC(=C(C=C3)C)C)[N+](=O)[O-])N 1 2.531 7 2 0 3.42116787714728 3297290 CCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCC(=O)OCC)C 1 3.733 2 3 -19.3940702170027 3297129 C1=CC(=C[N+](=O)[O-])N(C=C1)CC2=CC=C(C=C2)Cl 1 2.466 2 2 3.0774892812867 3297088 C1CC2C(=O)N(C(=O)N2C1)CCCCN3CCN(CC3)C4=CC=C(C=C4)F 1 2.464 4 2 2.207143776979 3297083 COC1=CC=CC(=C1)CN2CCCCC2C(=O)O 1 -0.614 1 3 0 -3.78389937707539 3297038 CCCC(=O)NC(C)C1=NC2=CC=CC=C2N1C 1 2.479 3 1 -14.4622179821586 3297003 CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)C 1 2.499 2 5 0 -13.7853478351192 3296993 CC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC(=C2)Cl)Cl 1 2.934 1 2 -5.4037159180351 3296992 CC(C)(C)C(=O)NCCC1=CC2=C(C=C(C=C2)OC)NC1=O 1 2.191 2 3 -14.0393901229525 3296987 C1CC2CC1C(C2C(=O)O)C(=O)NNC(=O)C3=CC=C(O3)Br 1 1.157 2 5 0 -9.35660823219004 3296978 CCOC(=O)C1(C=C(C(=O)N1C2=CC=C(C=C2)NC(=O)C)NC3=CC=C(C=C3)NC(=O)C)C 1 1.356 4 5 0 -5.77841601515958 3296970 COC(=O)C1=CC=C(C=C1)COC(=O)C2=C(N=CC=C2)Cl 1 2.847 1 4 -4.54609781493421 3296854 CC(C)(C)NC(=O)C(=O)NNC(=O)C1=CC=CC=C1OC 1 0.476 3 4 0 -15.5162965433171 3296771 C1=CC(=CC=C1SCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])Cl 1 3.155 3 4 0 -3.12562370814457 3296653 CC1=C(C(=CC=C1)C)OCC(=O)NN=CC2=CC=NC=C2 1 2.34 3 2 -7.55239610509017 3296635 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NN3 1 3.016 5 3 0 -21.5421285141583 3296619 CC1=C(C(C2=C(N1)CCCC2=O)C3=CN(N=C3C)C)C(=O)NC4=CC=CC=N4 1 1.359 5 2 0 -31.7317286481624 3296603 C1=CC=C(C(=C1)C2=NSC(=N2)SCC(=O)C3=CC=C(C=C3)Cl)Cl 1 5.446 2 1 -0.899229115883628 3296595 C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-] 1 4.31 3 3 -11.2264304961655 3296544 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)NC3=CC=C(C=C3)C 1 2.298 3 4 0 -23.3806835320416 3296541 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N(CC)CC 1 2.112 4 6 0 -26.7697051833349 3296539 C1C(=NN=C(S1)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl 1 4.163 3 2 -1.39823189866449 3296489 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.774 4 6 0 -7.83975972304762 3296477 C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3NC2=O)NC4=CC=CC=C4 1 3.877 3 1 -12.0836512306374 3296470 CC1=NN(C(=C1C2(C3=CC=CC=C3N(C2=O)C(C)C)O)N)C4=CC=CC=C4 1 2.532 4 2 -1.37483112015926 3296464 CC1=CC(=C(N1CCOC)C)C2=NN=C(SC2)NC3=C(C=C(C=C3)Cl)Cl 1 4.512 4 1 -7.05006662517541 3296430 CN1C(=O)C(=CC2=CC(=C(C=C2)OC)CSC3=CC=CC=N3)C(=O)N(C1=O)C 1 2.773 3 4 0 -15.9171748047942 3296415 CC(C1=CC=CC=C1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 1 4.802 1 4 -12.0017966466419 3296311 CCC(C(=O)OC)SC1=NC2=C(C(=O)N1CC)SC(C2)C 1 2.393 2 3 -16.0855398065702 3296306 CCOC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=NOC(=C3)C 1 2.69 4 3 0 -17.0435133884443 3296286 CCOC(=O)C(=CC1=CC=C(C=C1)N2C=CN=C2)C(=O)OCC 1 2.336 2 4 0.699273900861058 3296275 C1CN(C(C2=CC=CN21)C3=CN=CC=C3)C(=S)NC4=CC=C(C=C4)F 1 4.601 4 0 -13.2977058054832 3296264 CC1=CC2=CC3=C(N=C2C=C1)N(N=C3NC(=O)C4CCCO4)CC(C)C 1 3.735 4 2 -13.233553293053 3296177 CC1=C(C2=CC=CC=C2N1)C(=O)C(=C3N(C(=O)C(=CC4=CC=CC=N4)S3)C5=CC=CC=C5F)C#N 1 5.128 4 2 0.668674828046849 3296148 CN(C)S(=O)(=O)OC1=C(SC=C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F 1 2.659 2 4 -5.81387945919534 3296097 CCC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Br 1 3.521 6 2 0 -23.6846272243246 3296039 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCCC3 1 2.384 3 5 0 -19.6529018506523 3296027 CC1=CC=C(C=C1)S(=O)(=O)ON=C2CCCC3=C2C=CO3 1 3.223 1 4 -4.37822813088284 3296025 COC(=O)C1CC(CN1C(=O)NC2CCCCC2)O 1 0.646 2 4 0 -8.20700082380786 3295992 CC1=CC=CN2C1=NC(=C2)CNS(=O)(=O)C3=CC=CC(=C3)F 1 1.971 3 2 0 -5.92045612417928 3295870 CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)C3=CC(=CC=C3)Br 1 3.943 1 3 -0.858494147153234 3295868 CC1=CC=CC(=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2 1 3.592 1 3 -14.2822969281384 3295772 CC1=NN=C(N1N)NN=CC2=CC(=C(C=C2)OC)OC 1 0.453 6 2 0 -11.6730171355856 3295703 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CCC3=CC=CC=C3)Br 1 3.69 2 3 -9.25541327282566 3295701 COC1=CC(=CC(=C1)C(=O)NC2=CN=CC=C2)OC 1 1.431 2 3 0 -7.42434398467043 3295681 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CN=CC=C3 1 1.43 2 5 0 -14.1067317330135 3295680 CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(S2)NC3CCCCC3 1 1.704 4 3 0 -27.9886362716257 3295556 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2)C3=CC=C(C=C3)F 1 2.447 3 3 -20.5703323434717 3295507 CC1=CC(=C(C=C1C(=O)COC2=C(N=CC=C2)[N+](=O)[O-])C)C 1 3.81 2 4 -1.75629633491281 3295321 C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)OC(F)F)CO 1 3.87 2 2 -6.37333513295495 3295263 C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCC3=CC=C(C=C3)F 1 2.502 3 2 -8.44037012379149 3295144 CC1=C(C(=CC=C1)C)N2C(=NN=N2)C3(CCOC(C3)(C)C)NC 1 1.913 5 1 0 -12.2278049646509 3295107 CC1=CC(=C(C=C1)C)C(=O)COC2=C(N=C(C=C2)C)[N+](=O)[O-] 1 3.607 2 4 -4.39429856926097 3295074 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NN=C3CC(=O)CC(C3)(C)C 1 3.032 3 2 -10.991524295597 3295073 C1=CC=C(C(=C1)NC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N)F 1 2.018 6 3 0 -3.42073776709464 3295063 CC(C)N1C(CCC1=O)C(=O)NCC2=C(C=CC(=C2)OC)OC 1 1.307 2 4 0 -13.9082393275011 3294989 CC1=CC(=NNC(=O)C2=CC=C(C=C2)O)CC1 1 2.133 2 2 -4.30324334707327 3294903 CCN(CC)C(=O)COC1=CC=C(C=C1)C(=NNC(=O)C2=CC=CC=C2O)C 1 2.368 3 4 0 -11.8370537395122 3294697 C1=CC=C(C=C1)CCNC(=O)CCCCC(=O)NCCC2=CC=CC=C2 1 3.519 2 2 -13.0577219219952 3294683 COC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4 1 2.46 3 3 7.21125720882174 3294594 COC1=CC=CC=C1NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCO 1 0.491 6 4 0 0.59713390059774 3294573 C1C(C2=C(C1=O)SC=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F 1 3.22 1 2 -6.15075517016203 3294490 CC1(CC2=C(C(N3C(=O)CCSC3=N2)C4=CC=C(C=C4)C(F)(F)F)C(=O)C1)C 1 4.093 2 2 -16.1409223359298 3294470 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(SC(C2=O)C)C 1 1.339 2 5 0 -11.6989755655542 3294422 CC(C(C1=CC=C(C=C1)OC)O)NC(C)C(C2=CC=C(C=C2)OC)O 1 2.651 1 4 -1.400918693798 3294380 C1=CC=C(C=C1)CN2C(=O)C=C(NC2=O)C(=O)NC3=C(C=CC=C3Cl)Cl 1 3.121 3 3 -3.97961061945349 3294297 COC1=CC=CC=C1C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)NCC3=CC=C(C=C3)F)C(F)(F)F 1 4.817 3 4 0 -17.2865675834047 3294285 CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)C(C(=O)C(F)(F)F)C(=O)OC(C)C)C 1 5.367 1 6 0 -5.48272667253547 3294244 CCOC1=C(C=CC(=C1)C2NN=C(S2)C3=CC=C(C=C3)C)O 1 4.19 2 2 -0.361528000020397 3294241 C1CCC(=O)C(C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F 1 1.58 1 6 0 -22.2136211885851 3294236 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CCC3=NC4=CC=CC=C4N3C5=CC=CC=C5 1 5.175 4 3 0 -7.63635904492222 3294199 CC(=NNC1=CC(=C(C=C1)Cl)C(=O)O)C2=CC=CC3=CC=CC=C32 1 4.631 2 2 -1.24897082678586 3294192 COC1=CC=C(C=C1)C2CC(=O)C(=C(C2N3C=NC=N3)O)C4C5=CC=CC=C5CCN4 1 2.325 4 3 0 -16.0500633024195 3294185 C1=CC=NC(=C1)CCNC(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.853 3 1 -5.16281792254312 3294165 CC(=NNC(=O)CNC(=O)C1=CC=CO1)C2=CC=CO2 1 0.514 3 4 0 -11.0657683991504 3294121 CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)OC3=C(C(=C(C(=C3F)F)F)F)F 1 5.596 2 2 3.82625689877376 3294109 CC1=CC=C(C=C1)C2CC3=NC(=NC=C3C(=O)C2)N4CCC5=CC=CC=C54 1 4.064 3 1 -11.3071497363315 3294033 CS(=O)(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F 1 2.701 2 2 -2.3311342825888 3294026 C1COC2=C(O1)C=CC(=C2)C=NNC3=NC4=CC=CC=C4N3 1 2.654 4 2 1.17208056413411 3294011 CC1=CC=C(C=C1)N(CN2C(=O)C3C4CCC(C4)C3C2=O)C(=O)C5=CC=CO5 1 3.058 2 4 -10.0771351419957 3293911 COC1=CC(=C(C=C1)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)OC 1 2.729 2 4 -6.85883551509146 3293869 C1CCC(C1)NC(=O)CSC2=CNC3=CC=CC=C32 1 3.127 2 1 -8.55665923509183 3293813 CNC(=S)NCC(C1=CC=C(C=C1)[N+](=O)[O-])O 1 1.625 3 3 0 -8.39678979272747 3293798 CCCNC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C 1 1.102 2 3 0 -20.152359114631 3293705 CC(C(C(=O)OCC(=O)C1=CNC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)Cl)O 1 2.635 2 6 0 -12.9143948054629 3293631 C1COCCN1C2=C(C(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-] 1 1.561 6 3 0 -1.55527981804685 3293548 C1C(=O)N(C(S1)C2=CN=CC=C2)C3=CC(=CC=C3)Cl 1 2.753 2 1 -6.88060767429859 3293423 CC1=CC=C(C=C1)CSC2=NSC(=C2C#N)C 1 4.017 2 0 -7.92474974177446 3293422 CC(C(=O)OC)SC1=C(N=NS1)C2=CC=CC=C2 1 3.179 2 2 -6.3811426414898 3293421 C1=CC(=CC(=C1)NC(=O)NCCNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)C(F)(F)F 1 4.727 3 4 0 -10.3811298688364 3293415 CC1CCC2=C(C1)SC(=N2)NC(=O)C3COC4=CC=CC=C4O3 1 3.026 2 3 -7.64110247423522 3293367 COC1=C(C=C(C=C1)C=NN2C(=O)CSC2=S)Br 1 3.527 2 2 -5.5554685116358 3293319 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)COC4=CC=C(C=C4)N(C)S(=O)(=O)C5=CC=CS5 1 3.383 3 4 0 -7.67134184244823 3293250 COC1=CC(=C(C=C1)CNC(=O)C2=COC(=O)C3=CC=CC=C32)OC 1 2.093 1 5 -10.0241458675923 3293249 COC1=CC(=C(C=C1)OC)CNC(=O)C2=COC(=O)C3=CC=CC=C32 1 2.093 1 5 -10.0380837552177 3293213 CCN1CC2=C(C(=C1)CC3=CC=C(C=C3)OC)OC(=C(C2C4=CC=C(C=C4)OC)C#N)N 1 3.489 3 3 -10.0109595761895 3293211 CCN1CC2=C(C(=C1)CC3=CC=C(C=C3)F)OC(=C(C2C4=CC=C(C=C4)F)C#N)N 1 3.932 3 1 -8.88611634158008 3293172 CC(C(=O)C1=CC=CC=C1)OC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 1 1.689 1 5 0 -12.6005270618424 3293078 CCOC(=O)N1CCN(CC1)C2=C(C=C(C(=C2)C)[N+](=O)[O-])F 1 2.787 3 4 0 -6.56978088295808 3293072 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=CC=N3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.665 5 4 0 -11.3510796159902 3293027 COC1=C(C=C(C=C1)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)OC)OC)OC 1 2.747 1 7 0 -15.8456611959137 3293017 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)N)C3=CC=C(C=C3)C 1 2.137 3 3 -5.31736432234273 3293008 CCC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4CCCC4 1 3.05 5 2 0 -21.3751401147853 3292989 C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC#N 1 3.721 4 2 -13.9780573323408 3292966 C1CS(=O)(=O)CC1N(CC2=CC=CS2)C(=O)C3=CC=C(C=C3)F 1 2.28 1 3 -13.5130640765211 3292960 C1=CC(=CC(=C1)Br)C(=O)NNC(=S)N 1 1.736 3 1 0 -5.36435163989785 3292941 CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)NCC=C)Cl)Cl 1 2.858 1 3 -17.5453048617291 3292848 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3 1 1.912 7 1 0 -23.6219164928961 3292830 CCOC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=C(S2)Cl 1 3.074 1 4 -9.17519750457225 3292804 CC1=CC=CC=C1NC2(CCCCC2)C#N 1 3.783 2 0 -2.87254126264988 3292744 CCCCNC(=O)C1=CN(C(=O)C2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)OCC 1 3.305 2 5 0 -21.5226407864478 3292722 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3N4CCOCC4 1 0.798 4 5 0 -25.7162153357133 3292650 CCCCCOC1=CC=C(C=C1)NC(=O)C(=O)NCCC2=CCCCC2 1 4.4 2 3 -14.2621102100993 3292557 CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)NC(C)C 1 2.703 2 5 0 -21.7354899899433 3292556 CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)NCCOC 1 1.846 2 6 0 -22.2875935441153 3292497 CCOC1=C(C=C(C=C1)C(CC(=O)O)N2C=NN=N2)OC 1 0.798 4 4 0 -17.5680833007154 3292482 CCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=CC=C5)C 1 4.2 5 1 -7.59471213197978 3292313 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)N 1 1.404 3 4 0 -4.36150601530298 3292264 COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CS3)SC2=C(C#N)C(=O)NCCN4CCOCC4 1 2.773 4 4 0 -14.3050910145744 3292253 CC(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.301 3 1 -7.7843893723131 3292212 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F 1 2.419 5 3 0 -13.425535482879 3292143 CCC(C)N1C(C(=O)N(CC1=O)C2CCCCCC2)C3=CC=CC=C3F 1 4.02 2 2 -9.75566677913129 3292126 C1CC(=NNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O)CC(=O)C1 1 2.762 3 4 0 -5.98697519732463 3291875 CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2O 1 2.757 1 2 -4.83678633626675 3291853 CC1CC(CN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F)C 1 1.517 2 6 0 -27.3680102733076 3291851 C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)Cl)O)OC3=CC=CC=C3 1 4.929 0 4 1.01847344282533 3291725 COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=NC4=CC=CC=C4S3 1 3.698 3 4 0 -13.0650075465332 3291714 COCCN(CCOC)C(=O)CN1C(=O)C(NC1=O)CC2=CNC3=CC=CC=C32 1 0.383 4 5 0 -13.7326502285846 3291643 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(C=C2)C#N 1 1.529 2 5 0 -21.9912620575146 3291607 CC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 1.181 2 4 0 -11.9487054266496 3291605 CC(=NNC(=O)C1=CC=C(O1)CN2C=C(C=N2)[N+](=O)[O-])C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4 1 1.898 7 5 0 -16.6591104947174 3291517 CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCCC)OCC)CCOC 1 4.005 4 5 0 -12.6739329010763 3291503 C=CCNC(=S)NN=C1CCC(CC1)C2=CC=CC=C2 1 3.857 3 0 -9.95559620670451 3291469 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)N4CCOCC4 1 1.385 2 8 0 -20.2918740223543 3291456 C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC3=NC=NN3 1 1.369 4 2 0 -2.77214530013076 3291383 CC1=CC=C(C=C1)N2C3=C(C(=O)CC(C3)(C)C)C(C2=O)(C(F)(F)F)O 1 2.854 1 3 -8.02348300411556 3291314 CCOC(=O)CNC(=S)N(CC1=CC=CS1)C2CCCC2 1 3.975 2 2 -14.781089456416 3291305 CCC1(NC(=S)N(N1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 5.249 3 0 6.0760943067795 3291283 COC1=CC=CC(=C1)C(NC(=O)C2=CC=CC=C2F)NC(=O)C3=CC=CC=C3F 1 4.072 2 3 -7.84358009575714 3291242 CCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CC=CO3)O)C(=O)C4=CC=C(O4)C 1 4.004 1 6 0 -15.3125352451525 3291165 CC(C)C1=NC=C(N1C)C(C2=CC=CC=C2)O 1 2.505 2 1 -6.18770282183208 3291050 CC1=CC=C(C=C1)CNC(=O)C2=NNC(=O)CC2 1 0.799 3 2 0 -19.4484368789428 3290996 CC1=C(C(C(=C(N1)C)C(=O)OCC2CCCO2)C3=CC(=CC=C3)Cl)C(=O)OC 1 2.895 1 5 -25.3680839462732 3290975 CCOC1=C(C=CC(=C1)C=NNC(=O)C(=O)NCC2CCCO2)OCC(=O)N3CCOCC3 1 1.e-003 4 7 0 -26.9517354835032 3290930 CCC(CO)NC1=NC=C(C=C1C#N)[N+](=O)[O-] 1 0.689 4 3 0 -4.54719065776713 3290886 CC(=O)NC1=CC2=C(C=C1)SC=C2 1 1.812 1 1 0 -2.7946944286911 3290873 COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=NC=CN=C2 1 0.784 5 3 0 -10.2294871500501 3290781 CC1=CC(=C(O1)C)C(=O)NN=C(CC2=CC=CC=C2)CC3=CC=CC=C3 1 3.782 2 2 -7.76725443293844 3290758 CNC1=NC(=C(C(=N1)NCC2CCCO2)[N+](=O)[O-])N 1 -0.171 6 3 0 -7.70818182313609 3290727 COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3)OC 1 2.074 1 7 0 -12.2236976668607 3290715 C1CCN(CC1)CC(COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)O 1 1.163 2 5 0 -19.437941628588 3290710 CCOCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 1 0.973 2 4 0 -5.61992092840119 3290536 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=C(C=C(C=C3)Cl)Cl)F 1 4.671 2 3 -6.42283959574006 3290432 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C4=CC=C(O4)Br 1 3.695 2 3 -19.5033109058024 3290429 C1CSC2=NC=C(C(=O)N21)C(=O)NCC3=CC4=C(C=C3)OCO4 1 0.998 3 4 0 -16.6597659850031 3290386 CCC1CCCC1=NNC(=O)C2=CC=CC=C2Cl 1 3.535 2 1 -6.31802573333341 3290367 COC1=C(C=C(C=C1)Cl)NC(=O)CC2C(=O)N=C(S2)NN=C3CCCCCC3 1 3.8 4 3 0 -13.3822264989185 3290327 COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=C(C=CS3)C#N 1 2.234 4 2 -6.69318987687805 3290157 CCOC(=O)C(C(F)(F)F)(NC(=O)OCC)NS(=O)(=O)C1=CC=CC=C1 1 2.38 2 6 0 -13.4839417297032 3290156 CC1=CC(=C(C(=C1)C)NC(=O)CC(=NNC(=O)OC(C)(C)C)C)C 1 3.324 3 3 -11.1510578036483 3290148 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-] 1 5.277 4 4 0 7.87049409561202 3290113 C1CC(C(=O)NC1)C(=O)NN=CC2=CC(=CC=C2)O 1 0.673 3 3 0 -14.5593995061855 3290093 CC(=O)OC1CC(OC1CO)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3 1 0.403 3 6 0 -15.497340257151 3290031 CC1=CC=CC=C1NC(C#N)C2=CC=C(C=C2)OC 1 3.558 2 1 -2.68520995765468 3289988 C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl 1 6.222 3 2 0.47787336230687 3289890 CCCCOC1=CC=CC(=C1)C(=O)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3 1 3.647 1 4 -14.7631896086039 3289877 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)NCCN(C)C 1 1.836 3 4 0 -7.90549294046119 3289820 C1=CN(C=C1)C2=C(SC=C2)C(=O)NC3=CC=C(C=C3)Cl 1 4.108 2 1 -4.45092883046626 3289819 COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N 1 3.519 3 4 0 -3.7619942969006 3289813 CC1CC2=CC=CC=C2N1CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N(C)C 1 2.197 3 3 -12.6256077436007 3289812 CC1=CC(=C(C=C1)NC(=O)COC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)[N+](=O)[O-] 1 1.526 5 7 0 -11.910076104453 3289794 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NN=CC3=CC=C(C=C3)Br)NC(=O)C4=CC=CS4 1 4.778 4 2 -13.2710173449845 3289791 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3O 1 3.938 3 3 5.49334679467648 3289664 C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(C(F)(F)F)O 1 2.92 1 2 1.17266888201105 3289622 CC1=CC=C(C=C1)N(CC2=CC3=C(C=CC(=C3)C)NC2=O)C(=O)C4=CC=CS4 1 4.712 2 2 -10.1373599034413 3289377 CC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C4CCC5=CC=CC3=C54 1 5.235 2 1 0.519755561119724 3289353 CC(C(CCN(C)C)O)OC1=CC=C(C=C1)F 1 2.087 1 2 0.923890876825113 3289327 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=C(C=C2)Cl)NC=O 1 3.287 2 2 -6.2038735045292 3289174 CCN1CCCC(C1)SC2=NC3=C(N2)C(=S)N(C(=O)N3C)C 1 2.654 5 1 -3.32020379017325 3289123 CC(C1CC1)N(CC2=CC=CC=C2)C(=O)NC(=O)C3=CC=CC=C3 1 3.805 2 2 -6.72265546747388 3289054 CCOC1=CC=CC=C1NC(=O)NC(=O)N(C)S(=O)(=O)C 1 0.839 3 5 0 -5.40986360005063 3288975 CC(C1=CC=CC=C1)NC2=NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4 1 2.861 3 2 3.17320455041599 3288972 C1=CC(=CC=C1C#N)OCC(CS(=O)(=O)C2=CC=C(C=C2)F)O 1 2.561 1 4 -8.21574513656996 3288863 CC1(CC2(CCO1)C(=NC(=S)N2C3=CC=CC=C3)NC4=CC=CC=C4)C 1 4.471 3 1 -5.03552028739755 3288803 CC(=O)C1=CC(=CC=C1)NC(=O)CC2C(=O)N=C(S2)NN=CC3=CC=CC=C3 1 2.71 4 3 0 -12.4210908981642 3288802 CC(=NNC1=NC(=O)C(S1)CC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CO3 1 3.011 4 3 0 -7.15656632587892 3288723 CCOC(=O)C(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)NCC2=CC=C(C=C2)F 1 3.926 2 3 -6.27696825195276 3288722 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=NO3)C4=CC=CC=C4Cl 1 3.589 2 3 1.13893377144508 3288684 COC(=O)C(CC1=CC=CC=C1)N2CCS(=O)(=O)CC2 1 1.483 1 4 0 -9.24403021155515 3288681 COC(=O)C1=C(C=CS1)NC(=O)CSC2=C(C(=CC=C2)Cl)Cl 1 4.145 1 3 -11.8813255678771 3288623 CC1=C(C=C(C=C1)C(C(Cl)Cl)NC(=O)NN2CCN(CC2)C)F 1 2.453 4 1 0.247345012368345 3288555 CCC(C)(C(=O)NC1CCCC1)NC(=O)C2=CC=CC=N2 1 2.097 3 2 -14.775621311579 3288552 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NNC(=O)C2=CC(=CC=C2)Cl 1 2.133 3 5 0 -10.7975324870141 3288515 CC1CCCC(C1C)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 3.068 2 5 0 -16.0577821106045 3288469 C1=CSC(=C1)C(=O)CC(=NNC(=O)C2=CC=NC=C2)C(F)(F)F 1 2.465 3 2 -8.62011045843855 3288446 CC(C)NC(=O)COC(=O)C1CSC2(N1C(=O)CC2)C3=CC=C(C=C3)Br 1 2.147 2 4 -14.7877923839987 3288398 CC(=O)NC1=CC=C(C=C1)N2C(SCC2=O)C3=CC(=CC=C3)Br 1 3.108 2 2 -15.4266302743812 3288277 C1=CC(=CN=C1)C2=CSC(=N2)NC(=O)COC3=CC=C(C=C3)Br 1 2.991 3 2 -2.19907340342909 3288271 CC(C1CC2CCC1C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC 1 3.029 2 5 0 -12.7873424699305 3288173 CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC(C3=CC=CC=C3)C(F)(F)F 1 6.766 0 4 -1.46283409633838 3288172 CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCC3CCC(CC3)C(=O)O 1 4.189 1 6 0 -18.0749259270162 3288083 CCCCOC1=CC=C(C=C1)C=NNC(=O)C2CCCNC2=O 1 2.227 3 3 -18.718649678546 3288046 C1=CC=C(C(=C1)COC(=O)C2=CC(=C(N=C2)Cl)Cl)F 1 3.861 1 2 -4.11116628282464 3288025 C1=CC=C(C=C1)C2=CC=C(C=C2)C=NNC3=CC(=C(C=C3)Cl)C(=O)O 1 5.261 2 2 0.956086178496741 3288024 C1=CC=C(C=C1)C2=CC=C(C=C2)C=NNC3=CC=CC(=C3)C(=O)O 1 4.596 2 2 1.90868783680669 3287887 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3CCCCC3C 1 2.762 6 3 0 -29.9635400726392 3287840 CCN(CCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)NC1=S)C4=CC=CC=C4 1 4.214 4 2 -5.63554356383544 3287831 C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)C4=NC=CN=C4 1 1.665 6 1 0 -11.8272635195295 3287807 CN1C(=CN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CO 1 1.958 3 3 0 -9.026775218069 3287669 C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC=CN=C2 1 1.425 4 1 0 -0.629797789670894 3287665 CC(C)OP(=O)(C(C1=C(C=CC(=C1)OC)OC)NC2=CC=CC=C2)OC(C)C 1 4.155 1 5 -8.33320243047922 3287659 C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.775 3 4 0 -20.5771969728804 3287578 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 2.413 3 4 0 -20.8276944403867 3287496 CCCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=C(C=CC=C2Cl)Cl)O 1 5.289 1 3 -7.53259035950458 3287495 CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4 1 4.206 5 2 0 -12.2274263110993 3287323 CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OC(C)C(=O)NC3=C(C(=CC=C3)Cl)Cl 1 4.888 3 4 0 -17.3630796282042 3287298 C1CC(OC1)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.225 1 2 -7.22461366278694 3287222 C1CN(CCN1CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl 1 5.503 2 3 9.73711035582108 3287221 CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)OC 1 3.656 8 4 0 -24.5144164801176 3287183 CC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=CO4 1 2.348 3 4 0 -4.82673859460127 3287130 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5C(=C4)C 1 3.438 5 4 0 -30.6964944873376 3287048 CC(C)NC(=O)C1=CC2=C(O1)N=C3C=C(C=CC3=C2)OC 1 2.728 2 3 -7.2993962188483 3287047 C1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3N=C2 1 3.118 1 2 -5.25872042372912 3287045 CC(=O)NCC1=CC(=C(C=C1)OC(=O)OCC2=C(C=C(C=C2)OC)[N+](=O)[O-])OC 1 2.813 2 8 0 -10.6162117663705 3287029 CC(C)(C)C(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=CC=C3OC)OC)OC 1 4.395 1 5 -18.0877951325894 3287019 CC(=NNC(=O)CC1=CC=C(C=C1)OC)C2=CN=CC=C2 1 1.531 3 2 0 -7.13679475128642 3287010 CC(CCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)CNC(=O)C 1 2.606 2 3 -14.4093653279568 3287002 CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)COC4=CC=CC=C4)SC2)C(=O)O 1 1.34 4 5 0 -21.7367786790037 3286854 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN3CCCC(=O)N=C3S2 1 3.091 4 3 0 -16.1347593800497 3286794 CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4CCOC4=O)C 1 4.514 1 4 -5.60816464232245 3286690 COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CSC3=NN4CCCC(=O)N=C4S3)C5=CC=CS5 1 4.481 5 4 0 -18.7871909250271 3286670 CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)OC)C4=CC=CC=C4 1 2.814 9 3 0 -22.9060235225411 3286571 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCCCC3=CC=CC=C3 1 3.945 2 2 -12.0967169498744 3286543 CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NS(=O)(=O)C4=CC=CC=C4 1 4.566 4 4 0 -16.8277168331374 3286437 C1CN(CCN1CC2=CC=CC=C2)C3=CC(=O)NN=C3C4=CC=CC=C4 1 2.759 4 1 -2.4480169412537 3286422 C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=C(C=C(C=C4)F)Cl 1 3.404 2 3 -15.9228194819091 3286268 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC 1 4.301 3 6 0 -18.5298104433121 3286221 C1=CC=C(C=C1)C(C(=O)NN=CC2=CC(=C(O2)Br)Br)O 1 2.777 2 3 -7.41187582078508 3286068 CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)O)N(C(=S)S3)C4=CC(=CC=C4)OC 1 5.943 3 4 0 -15.6408496220097 3285956 CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC 1 1.304 5 6 0 -26.7902344676166 3285954 CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.783 4 5 0 -25.5071286949969 3285937 COCCNC1=NC(=C(C(=N1)NCC2CCCO2)[N+](=O)[O-])N 1 -0.302 6 4 0 -8.50198919287933 3285878 CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)N3CCN(CC3)C 1 1.708 3 3 0 -11.8411032837411 3285808 CC(C)C1=CC=C(C=C1)CNNC(=O)C2=CC=CC=C2 1 3.323 2 1 -3.08000873111907 3285803 CCCCCC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 3.733 4 4 0 -15.2214515767041 3285786 CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC(OC(C4)C)C 1 1.538 4 5 0 -25.4844836023824 3285585 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl)Cl 1 3.409 2 5 0 -12.6131993230497 3285558 CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN3C(=CC(=NC3=N2)C)C 1 3.475 5 1 -13.0813050379466 3285420 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 2.246 3 6 0 -14.9554585699968 3285355 CCCCCC(C)NC(=S)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)C 1 3.821 3 4 0 -28.8197289069975 3285260 CC1=CC=C(C=C1)S(=O)(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)C4=CC=CC=C4)C(F)(F)F 1 2.305 4 5 0 -5.46142881738111 3285212 C1=CC2=C(C=C1Cl)C3=C(N2CC(COCC(C(C(C(F)F)(F)F)(F)F)(F)F)O)C=CC(=C3)Cl 1 6.204 1 2 5.03524032843211 3284893 CC1=C(C(=CC=C1)C)N(CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)S(=O)(=O)C 1 4.756 2 3 -1.0919628953251 3284801 C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.108 4 5 0 -22.3940836356108 3284790 C1CCCC(CC1)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(S3)Br 1 4.361 2 3 -14.3607464870818 3284375 CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=CC=CC=C3 1 2.851 3 2 -8.51575275075676 3284346 CN1C=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4 1 2.874 5 2 0 -20.9755214526607 3284314 CC1(CN(N(C1=O)C(=O)C2=CC=C(C=C2)C#N)C3=CC=CC=C3)C 1 3.525 3 2 -4.04033250384666 3284312 C1=CC(=CC=C1C2=C(N3C=C(C=C(C3=N2)Cl)C(F)(F)F)Cl)F 1 5.203 2 0 8.0319870976997 3284229 C1CC1C(=O)NC(=S)N(CCC#N)CC2=CN=CC=C2 1 1.952 4 1 0 -14.7749175031896 3284121 CCOC(=O)C1=C(SC2=C1CCN(C2)C(C)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.362 3 6 0 -32.1462835090854 3284088 CC(=NN=C(N)N)C1=CC(=CC=C1)[N+](=O)[O-] 1 0.738 5 2 0 -2.28062994259227 3283870 C1CCCC(=NNC(=O)C2=CC=C(O2)Br)CC1 1 2.827 2 2 -9.84678306145755 3283744 CC(C1=CC=CS1)N(C2CCCCC2)C(=O)NC3=CC=CC=C3 1 4.818 2 1 -1.81223424359663 3283737 CC(C)CCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2 1 3.25 6 2 0 -3.78664199191627 3283633 COC1=CC=CC=C1C2CC(=NN2C(=S)NC3=CC=CC=C3)C4=CC=CC=C4 1 5.802 3 1 -10.6866504699214 3283631 COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)CCC3=CC=CC=C3 1 2.8 2 3 -16.264339931649 3283367 CC1=CC=CC2=NC(=CN12)CSC3=NN=C4N3C=CC=C4 1 2.51 5 0 -6.87636097014174 3283364 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCC(=O)N 1 -0.56 2 5 0 -10.4495141920111 3283304 CC1=C(C=CC=C1Cl)N2C(=C3C(=NN=C3N=C2SCC(=O)NC4=C(C=CC(=C4)OC)OC)C)N 1 3.912 6 3 0 -14.9798451240459 3283250 CC1=C(C(=NN1)SCC(=O)N2CCCC2)[N+](=O)[O-] 1 1.121 4 3 0 -10.0182491555788 3283243 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CC3=CSC=C3 1 1.428 1 5 0 -13.3865034852919 3283078 C1CCN(CC1)C(=O)CN2C3=CC=CC=C3N(C2=O)CC4CS4 1 1.748 3 2 0 -11.7068762144105 3283010 CC1=C(SC=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.701 3 1 -5.80640750812922 3282961 C1C(=NN(C1=O)C2=C(C=C(C=C2)Cl)Cl)C3=CN=CC=C3 1 2.975 3 1 1.78650778040497 3282842 CC1COC(=O)C(=N1)NNC2=CC(=C(C=C2)Cl)Cl 1 2.759 3 2 0.453358493107479 3282755 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3 1 2.511 3 5 0 -10.6456077915702 3282740 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=NC=C3 1 2.157 3 3 -13.5207187323814 3282713 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4OC)OC 1 3.296 5 5 0 -28.4836996668742 3282647 CC(C)N1CCC(CC1)(C(=O)NC2=CC=CC=C2)N(CC3=CC=C(C=C3)Cl)C(=O)C4=CC(=CC=C4)F 1 5.24 3 2 -5.40585527416954 3282605 CCC(CC)C1=NN=C(S1)NC(=O)C2COC3=CC=CC=C3O2 1 3.164 3 3 -9.41801877314771 3282564 CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=C(C=CC=C3Cl)F 1 4.369 3 1 -8.12270033446202 3282557 COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC(OC)OC)NC2=S 1 2.855 3 5 0 -17.1243154019852 3282534 C1CN(C(C(=O)N1)CC(=O)O)CC2=CC=CS2 1 -2.648 2 3 0 -27.6333299083443 3282519 CC(C)(C)C1=CC=C(C=C1)C2=CN=CO2 1 2.937 1 1 4.87788055664909 3282515 CN(CC1=CC=CC=C1)C2=NC=C(S2)C=O 1 2.003 2 1 1.36590004043804 3282505 CCOP(=O)(C(C(=O)N)NC(=O)NC1=CC(=CC=C1)Cl)OCC 1 0.894 3 5 0 -7.06230798430534 3282399 CC1=CC=CC=C1NN=CC2=C(N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O)Cl 1 4.458 3 3 -0.441361409921062 3282397 CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4CCCCC4 1 4.161 3 3 -9.764208537664 3282384 CCCCCCC(=O)NN=CC1=CC=CO1 1 2.905 2 2 -9.90648049151964 3282304 CC1CCCN(C1)C(=O)C2=CC3=C(O2)N=C4C=C(C=CC4=C3)OC 1 3.444 2 3 -2.26782703443909 3282274 CC1CC(=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)CC(C1)(C)C 1 5.3 4 1 -14.3766180405273 3282155 C1CC2=CC3=C(C4=C2C1=CC=C4)N=C(S3)NC(=O)C5=CC=CC=C5 1 4.749 2 1 -0.373286232914403 3282124 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)SC3=NC(=CC(=N3)C)C 1 2.861 3 2 0.367281035896956 3282064 CCCOC1=CC(=C(C=C1)C=NNC(=O)C2CC2)OCCC 1 3.489 2 3 -5.12902306882843 3282038 C1COCCN1CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=C(C=C5)F 1 0.869 6 3 0 -21.7474055966138 3281924 C=CCN(CC=C)C(=O)CN1C(=O)C(NC1=O)CC2=CNC3=CC=CC=C32 1 1.878 4 3 0 -17.4762056605003 3281821 CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NC(=C(C(=N2)C)C)C 1 3.258 3 2 -8.08303042636234 3281784 CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C#N)CCOC 1 2.239 5 3 0 -11.0816752082965 3281742 CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)NC5=C(C=C(C=C5C)C)C 1 4.274 4 3 0 -5.01776684178941 3281651 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)NC3CCCCC3 1 2.141 4 6 0 -28.7183942139623 3281633 CCCC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)[N+](=O)[O-] 1 1.82 4 5 0 -12.542720625917 3281512 CCCCN1C2=CC=CC=C2N=C1CNC(=O)C 1 2.2 3 1 -7.60353147577116 3281351 CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 1 4.627 5 3 0 -35.7137255704286 3281266 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)CCCC(=O)NCC3=CC=CO3 1 2.361 4 3 0 -30.6462748292746 3281234 CCCCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NCCC3=C(NC4=C3C=C(C=C4)OC)C 1 5.272 2 3 -8.93231495197242 3281161 CCCCNC1=NN=C(CS1)C2=CC(=C(C=C2)C)C 1 4.448 3 0 -1.25621921164536 3281100 CCN(CC)C1=CC=C(C=C1)C=NNC2=NNN=N2 1 2.041 7 0 0 -8.35525004941744 3281033 C1COCCN1C2=CC3=CC=CC=C3C(=O)N2 1 1.162 2 2 0 -4.11973514524798 3281014 CC1=CC=CC=C1C2=NOC(=N2)CCC(=O)NCC3CCCO3 1 1.749 3 3 0 -16.8567623431329 3280973 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3 1 1.71 2 7 0 -21.5241535081337 3280908 CCN1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O 1 3.727 5 1 -18.6134849241015 3280905 CC1CC(CN(C1)C(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O)C 1 4.977 4 1 -20.056191603627 3280829 C1COCCN1C(=O)C(=C2N(C(=O)C(=CC3=CC=CC=N3)S2)C4=CC=CC=C4)C#N 1 2.181 4 3 0 -10.7502470508414 3280828 CC(C)(C)NC(=O)COC(=O)CCC(=O)C1=CC=CS1 1 1.585 1 4 0 -20.8773961369683 3280818 C1=CC(=NC=C1Cl)NC(=O)C2=NC=CN=C2C(=O)O 1 0.853 4 3 0 -6.61342413967932 3280756 CN1C(=NN=C1SCC#C)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 3.111 4 2 -13.2042525465881 3280702 C1CCC2=NC3=C(C=C(C=C3)NC(=S)NCC4=CC=CC=N4)C(=O)N2CC1 1 3.533 5 1 -18.1697664977065 3280700 C1CCC2=NC3=C(C=C(C=C3)NC(=S)NCC4=CN=CC=C4)C(=O)N2CC1 1 3.318 5 1 -18.487902304668 3280551 C1CC(CCC1CNCC2=CC=CC=C2Cl)C(=O)O 1 0.7 1 2 0 -5.58452064349544 3280524 CC(C)CC1(C2C(C(N1)C3=CC=CC=C3O)C(=O)N(C2=O)C(C)C)C(=O)O 1 -0.791 2 5 0 0.480959673856705 3280480 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3F)Cl 1 2.572 4 3 0 -5.85317325744227 3280444 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NN 1 2.539 3 1 0.925825201523997 3280331 CC1=C(SC(=C1C(C2=CC(=C(C(=C2)OC)OC)OC)NC3=CC=CC=N3)NC(=O)C4=CC=CO4)C 1 4.771 3 5 0 -9.95592869220746 3280328 C1CN(CCN1C2=CC=CC=C2)C(C3=C(C4=C(C=CC=N4)C=C3)O)C5=CC=CS5 1 4.936 3 1 3.84386700017222 3280283 CCC1CCCCN1C(=O)C2=C(C3=C(N=CN=C3S2)N(CC)CC)C 1 4.521 4 1 -14.7365115698979 3280196 CC1CCCC(N1CC(=O)NCC2=CC=C(C=C2)C)C 1 3.121 2 1 -12.5409938934447 3280153 C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)C(=O)O)C4=NC5=CC=CC=C5S4 1 5.905 2 2 -2.50498181384517 3280147 COC(=O)C1CSC(N1C(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)OC 1 2.881 2 5 0 -6.30066946346937 3280053 CC1=CC=C(C=C1)C(=NNC(=O)CCC(=O)NC2=CC(=CC=C2)Cl)C 1 3.15 3 2 -7.34178911039744 3279941 C1=CC=C(C=C1)CS(=O)(=O)C2=CC(=CC(=C2C#N)[N+](=O)[O-])[N+](=O)[O-] 1 2.607 3 6 0 -12.3050022613248 3279915 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)OC(=O)C2=NC3=CC=CC=C3C=C2 1 3.024 3 5 0 -19.4392882562814 3279901 CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(C(=O)O)NC(=O)C 1 2.398 2 3 -9.74458487387493 3279863 C1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CO3)N 1 0.428 6 3 0 -23.4764062104566 3279795 C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)NCC4=CC=CC=C4Cl 1 2.566 3 3 -11.9187265498444 3279769 CN(C)C=NC1=NC2=CC=CC=C2N=C1N3CCCC3 1 1.883 5 0 0 1.88718859244117 3279736 CCOC1=C(C=CC(=C1)C2C(=C(N(C(=O)N2)C)C)[N+](=O)[O-])OC(=O)C 1 1.297 3 6 0 -16.7168999124492 3279719 CC1=CC=C(C=C1)NC2=NN=C(S2)SC3CCOC3=O 1 2.51 3 2 -5.10623691097035 3279717 CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)NCC2CCCO2 1 1.266 2 4 0 -19.3790961824068 3279692 CC(C)(C)C1=NN=C(S1)NC(=O)NS(=O)(=O)C2=CC=CC=C2 1 2.378 4 3 0 -9.09065777538702 3279670 C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F 1 1.612 2 6 0 -28.62124215547 3279636 COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3 1 1.651 3 6 0 -18.4547676392082 3279581 C1CC2C(=O)N(C(N2C1)C3=CC=CO3)C4=CC=C(C=C4)F 1 2.966 2 2 -5.04547099906525 3279337 C1=CC=C(C=C1)N2C(C3=CC=CC=C3C2=O)SCC(=O)O 1 2.869 1 3 -11.1920147522185 3279336 C1=CC(=CC(=C1)OC2=NC=CC=N2)C=NN3C(=O)C=C(N=C3N)C(F)(F)F 1 2.369 6 2 0 -1.48514573187944 3279273 C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(O2)Br 1 2.613 1 4 -12.5522246727969 3279260 C1CN(CCN1CC2=CC(=O)N3C=CSC3=N2)C4=CC=CC=N4 1 1.203 5 1 0 -7.74863672138151 3279248 CCC(=O)NC1=C2CSCC2=NN1C3=CC=C(C=C3)OC 1 2.469 3 2 -3.07917318546801 3279228 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3F)OC 1 3.11 2 6 0 -8.01863921655924 3279118 COC1=CC=CC(=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCN4CCOCC4 1 2.538 4 6 0 -24.6723372481357 3279103 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC(=O)C4=CC(=CC=C4)O 1 3.918 3 2 4.38841127842665 3279042 CC(=NN1C(=CSC1=NC)C2=CC=C(C=C2)OC)C3=CN=CC=C3 1 2.469 4 1 -3.37109046887958 3279038 CCC1=C(SC(=C1C#N)NC(C(=O)OCC)(C(F)(F)F)NC(=O)CCl)C 1 3.571 3 3 -17.1355162439721 3278847 CCCCCC1=CC(=O)NC(=S)N1 1 2.487 2 1 -8.62206968065386 3278739 CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=C(C=C2)OC)NC(=O)C3=CNC(=O)C=C3 1 2.377 3 4 0 -15.3357447179183 3278608 CCC(C)C(=NNC(=O)C1=CC=CC=C1OCCOC2=CC=CC=C2)C 1 4.191 2 3 -9.12386623594752 3278590 COCCCNC1=NC(=C(C(=N1)NC2CCCCC2)[N+](=O)[O-])N 1 1.26 6 3 0 -6.4945640838056 3278571 CC(C)CCC(CC(C)O)C(=O)NNC(=S)NCC=C 1 2.73 3 2 -14.5035078379915 3278537 CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=CC(=CC=C4)OC 1 4.263 2 4 -10.3054722859705 3278507 C1=CSC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)Cl 1 3.588 4 2 -9.10367997167056 3278458 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=CC=C3)C(=O)C4=CC=CO4 1 1.292 3 4 0 -0.158331967636214 3278447 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OCC 1 -0.182 2 9 0 -28.4189617000911 3278433 CC1=C(SC(=N1)NN=CC2=CC=CC=N2)C 1 1.514 4 0 0 1.95900260426237 3278385 CC1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC(=C(C=C3)Cl)Cl 1 3.44 2 2 -11.7476458889626 3278359 CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=CN3C 1 1.777 4 1 0 -19.9085813118648 3278258 CCCCCNCC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.932 3 2 -6.43326456528751 3278198 CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F 1 5.795 4 3 0 -5.80857285578944 3278169 CC1=C(C(=CC=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5)C 1 3.207 3 5 0 -9.14894521233395 3278071 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CN3C=NC4=CC=CC=C43 1 3.806 3 1 -14.8344732909589 3278056 C1=CC=NC(=C1)C=NNC2=NN3C=NN=C3C=C2 1 0.956 7 0 0 -1.03271964723458 3278036 C1C(OC2=CC=CC=C2O1)CNC(=S)NC3=CC=C(C=C3)Br 1 4.723 2 2 -7.29251563910356 3277826 CC1=CC(=CC=C1)N2C(=O)CSC23CCCCC3 1 3.432 1 1 -0.672855711127661 3277795 CCCN1C2=CC=CC=C2N=C1C(C)NC(=O)C 1 2.228 3 1 -7.76332374908877 3277789 C1=CC=NC(=C1)NN=CC2=CC(=CC=C2)F 1 3.042 3 0 5.48280702275653 3277741 CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=CO5 1 3.386 2 6 0 -13.883902631035 3277600 CC1=NSC(=C1)NC(=O)NC2=CC3=C(C=C2)N(C=C3)C 1 2.441 4 1 -4.03568483728229 3277536 COC1=CC=CC=C1N2C(=O)C3C4CC(C3C2=O)C(C4)C5=CC=CC=C5 1 3.399 1 3 -3.6158415411106 3277498 CC1=CC=C(C=C1)NC(=O)COC(=O)C2=NN(C=C2Cl)C 1 2.55 3 3 -8.20363950439743 3277430 CC(=O)NC1=CC=C(C=C1)C(=O)OC2CCCCC2=O 1 1.69 1 4 0 -11.6333120379213 3277374 CCC(C(=O)OC)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3 1 2.299 4 3 0 -10.2289797844486 3277339 C1=CC=C(C(=C1)C=NNC2=NC3=CC=CC=C3O2)Br 1 3.627 3 1 3.65580196375863 3277337 CC1=CC(=O)N=C(N1)NN=CC2=C(N(N=C2C)C3=CC=CC(=C3)C(F)(F)F)Cl 1 3.318 6 1 0 -3.78551790240023 3277171 CC1=C(C(=CC=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4CC4)C 1 2.533 3 3 -6.3989188273982 3277017 CC1(CCS(=O)(=O)C1)NC(=S)NCCCCCCNC(=S)NC2(CCS(=O)(=O)C2)C 1 2.114 4 4 0 -15.6933474081997 3276974 CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)C3=CC=C(S3)Cl)C 1 3.23 2 3 -1.22622301398989 3276967 COC1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)C(=O)OC 1 1.227 2 7 0 -17.6422018601851 3276966 CC1=C(C(=CC=C1)N(CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)NCC3=CC=CO3)S(=O)(=O)C)C 1 2.433 4 6 0 -22.4688630021734 3276866 CC(C)C1=CC=C(C=C1)C=NNC(=O)CCNC(=O)C2=CC=CC=C2 1 3.185 3 2 -13.752349286304 3276862 CCN1C=NC2=C1C=CC(=C2)NCC3=CC=C(C=C3)N(C)C 1 3.454 4 0 -5.11410323687875 3276857 C1=CC=C(C(=C1)C2=NC(ON2)C3=CC(=C(C(=C3)Br)O)Br)Cl 1 4.665 2 2 5.64447530886895 3276804 CC1=CC=C(C=C1)NC(=O)CCC(=O)NN=CC2=CN=CC=C2 1 1.354 4 2 0 -8.72737241144206 3276757 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC=C4C 1 3.978 2 3 -13.1837700430149 3276707 CN1C2=C(C(=O)N(C1=O)C)C(C(=O)N2)(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 1.112 4 5 0 -10.580346421712 3276705 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC(=O)C2=C(N=CC=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl 1 2.66 5 4 0 -15.312802363632 3276629 CC1=C2C(=CC(=C1)[N+](=O)[O-])C(C(=O)N2)(N3CCCCCC3)O 1 2.316 3 4 0 -4.84527930851614 3276632 CC(C(=O)NN1C(=O)C2=C(NC1=S)N=CC=C2)OC3=CC=C(C=C3)Br 1 3.431 4 3 0 -8.83777723465443 3276634 CCCCNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)C 1 1.288 2 3 0 -8.13985021299009 3276661 CC1=C(C=CC=C1Cl)N2C(=O)CN(C2=S)CC3=CC(=C(C=C3)OC)OC 1 4.953 2 3 -6.66060207372957 3276660 COC1=CC=C(C=C1)N2C(=O)CN(C2=S)CC3=CC(=C(C=C3)OC)OC 1 3.786 2 4 -9.34526111287646 3276658 CCC1=CC=C(C=C1)N2C(=O)CN(C2=S)CC3=CC(=C(C=C3)OC)OC 1 4.744 2 3 -9.75720586652767 3276656 CCOC1=CC=CC=C1N2C(=O)CN(C2=S)CC3=CC(=C(C=C3)OC)OC 1 4.134 2 4 -11.7195131769461 3276653 CCCN(C(=O)C1=CC(=CC=C1)F)C2(CCN(CC2)CC)C(=O)NC3=CC=CC=C3 1 3.487 3 2 -7.66846619586076 3276508 CC1=CC=C(N1C2=NC=C(C=N2)Br)C 1 2.487 3 0 -2.09251578392302 3276507 COC1=C(C(=NC=C1)N=CNOCC2=CC(=CC=C2)C(F)(F)F)C#N 1 2.108 4 2 2.00515152772488 3276442 CC1CN(CC(O1)C)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4 1 4.058 2 1 0.476714255990738 3276440 C1CS(=O)(=O)CC1OC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 0.922 1 7 0 -16.5674554431902 3276373 CC1=CC=CC=[N+]1C2C(C(=C(NC2(C3CC3)O)C(=C=[N-])C#N)C#N)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.983 6 3 0 -8.79035665989794 3276348 CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC=C(C=C3)OC)C(=O)OCCOC 1 2.707 2 5 0 -19.8574811928454 3276301 CN1C(=NN=N1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F 1 2.784 5 1 -17.3725240732814 3276255 CCOC(=O)C(C(=O)O)NC(=O)C 1 -0.741 1 5 0 -11.5454122227939 3276213 CCNC(=O)NC(=O)C(C)OC(=O)CCCC1=NC2=CC=CC=C2S1 1 2.374 3 4 0 -11.6821519159295 3276076 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC(=O)NC4=CC=CC=C43 1 1.661 4 5 0 -23.3897501117313 3276062 CNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 1.856 3 4 0 -26.0386794368331 3275874 C1CCC(=CC1)CCNC(=O)C(=O)NCC2N(CCCO2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.976 3 5 0 -21.5891684919587 3275867 CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)OC 1 4.113 3 3 -25.5775257539793 3275799 CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3 1 3.34 2 3 -19.8123265464281 3275785 CC(C)C(CCNC(=O)CC(CC1=CC=CC=C1)C2=CC=CO2)C3=CC=CO3 1 4.959 1 3 -11.8920207908916 3275670 CC(C)N(C(C)C)C(=O)CSC1=NC2=CC=CC=C2N1C3=CC=CC=C3 1 4.929 3 1 -10.2855042552067 3275669 CC1(C(=O)N(C(=O)N1)CC(=O)NCCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.918 4 6 0 -12.5729543406127 3275624 CC1=CC=C(C=C1)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCCC3=CCCCC3 1 2.256 3 5 0 -22.3010455174239 3275623 CC1=CC=C(C=C1)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCC3=CC=CS3 1 1.252 3 5 0 -21.2098510237179 3275584 CC(=O)NC1=CC=C(C=C1)NC(=O)CSCCC2=CC=CC=N2 1 1.448 3 2 0 -12.3389877827408 3275569 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 2.819 2 5 0 -10.5339165960382 3275442 CN(C)C(CC1=CC=C(C=C1)Cl)C(=O)C2=CC=CC=C2 1 4.28 1 1 2.79726274783906 3275372 C1=CC=NC(=C1)CCSCC(=O)NC2=NC=C(C=C2)Br 1 2.464 3 1 -11.6618850195273 3275371 CCOC1=CC(=C(C=C1)OCC)NC(=O)CSCCC2=CC=CC=N2 1 2.992 2 3 -13.0861217869851 3275295 CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC=CO4 1 2.441 3 5 0 -13.5083212116843 3275243 CCC1=CC=C(C=C1)CN(C)CC(COC2=CC=CC3=CC=CC=C32)O 1 4.875 1 2 0.438947091958915 3275189 C1CC2=C(C3=CC=CC=C31)NC(=O)NC2C4=CC=C(C=C4)Br 1 3.793 2 1 -14.4399360695999 3275152 C1CN(CCN1C2=CC=C(C=C2)O)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-] 1 2.276 4 4 0 -0.840835618088465 3275070 CC(C)(C)C(=O)NNC1=NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3 1 4.656 4 1 2.72572766194345 3275014 C=CCNC(=S)NNC(=O)C1=CC=C(C=C1)Br 1 2.785 3 1 -11.6770466137777 3275002 CCSC1=NN=C(S1)NC(=O)C2CCCCC2C(=O)O 1 2.167 3 3 -14.804056769351 3274924 CC1=CC(=CC=C1)NC(=O)C23CCC(C2(C)C)(C(=O)O3)C 1 3.014 1 3 -7.28400430050824 3274909 CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O 1 2.214 2 4 -6.24040873062826 3274849 CC(C)C(C(=O)N1CCC(CC1)C(=O)N)NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 2.505 3 3 -15.5728815810197 3274823 CCC1=C(C=C(C(=C1)C(=O)CC2=NC3=CC=CC=C3S2)O)OCC(=O)O 1 3.925 1 5 0.768155394607733 3274819 CC1=NC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-] 1 2.049 4 6 0 -22.1685657308132 3274734 C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3)Br 1 3.847 4 1 -6.40504379991189 3274730 CC1=CC=CC(=C1C)C(=O)NCCCN2C=CN=C2 1 1.814 3 1 0 -4.85582391316442 3274535 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl 1 3.064 3 3 -8.88337140078796 3274318 CCC1CCCCN1C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)C 1 3.154 5 2 0 -13.1033543382775 3274228 CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2)C3=CC(=C(C(=C3)OC)OC)OC 1 2.192 3 6 0 -24.144852292243 3274218 C1=COC(=C1)CNC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N 1 -0.304 6 4 0 -0.580927210292522 3274155 C=CCN(C1=CC(=CC=C1)[N+](=O)[O-])N=NC2=CC(=CC=C2)[N+](=O)[O-] 1 4.196 5 4 0 -2.84174458067146 3274111 CC1=CC=CC=C1C2=NOC(=N2)C3CCCCC3 1 4.093 2 1 3.40507207466213 3274057 CC(C)CN1C2=CC=CC=C2N=C1C=NNC3=NC4=CC=CC=C4N3 1 4.188 6 0 3.02440911208983 3274011 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5 1 4.542 4 2 -5.68213102003414 3273996 C1=CC=C2C(=C1)C(=C(O2)C(=O)N)NC(=O)C3=CC=C(C=C3)F 1 2.417 2 3 3.28125350121768 3273941 CC(CNC(=O)C1=CC(=C(C=C1)OC)Br)NC(=O)C2=CC(=C(C=C2)OC)Br 1 3.736 2 4 -12.3066243073422 3273870 CC(=NNC(=O)CC1=CSC(=N1)N)CC(=O)NC2=CC=C(C=C2)F 1 0.874 5 2 0 -3.73935092770145 3273869 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=C(C)C3=CC=CC=C3OC 1 2.246 8 3 0 -26.4066393591022 3273856 CCC(C(=O)NC(C)(C)C)OC(=O)C1=NSC(=C1Cl)Cl 1 3.248 2 3 -12.6936350915444 3273794 C1=CC=C2C(=C1)N=C3C=CC(=CC3=N2)NC(=O)C4=CC=C(C=C4)Br 1 4.592 3 1 -2.15560841651837 3273697 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl)[N+](=O)[O-] 1 4.878 4 3 0 -2.40147376344305 3273693 COC1=CC=C(C=C1)NCCC(C2=CC=C(C=C2)Cl)O 1 3.421 1 2 -0.248004531499998 3273595 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 2.004 4 4 0 -20.0378259722252 3273587 CC1=C(SC=C1)C2N(N=C(S2)NC(=O)C)C(=O)C 1 2.041 3 2 -11.0705904301926 3273476 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)N 1 1.557 2 3 0 -12.8103521642575 3273387 C1CC2CN(CCN2C1)C(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CC=C5)C(F)(F)F 1 4.374 5 1 -3.7706489114797 3273373 CC1=C(N=C(C(=C1C)C#N)SC(C2=CC=CC=C2)C(=O)N)C 1 3.467 3 1 -7.92851491783628 3273361 COCCOC1=C(C=C(C(=C1)N2C=CNC2=S)Cl)Cl 1 3.268 2 2 -4.7070649387649 3273324 CC1=CC=C(C=C1)NC(=O)CNC2=CC=CC=C2C(=O)C 1 2.501 2 2 -9.39878926903756 3273284 CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCC(=O)N2)[N+](=O)[O-] 1 0.334 3 7 0 -17.5957326066228 3273249 CCOCCOC1=C(C(=CC(=N1)C)C)S(=O)(=O)C2=CC=CC=C2C 1 3.777 1 4 -11.731677379827 3273236 CSC1=NSC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O 1 2.57 3 3 -12.0645496719598 3273221 COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)OC 1 2.535 2 7 0 -31.0004914118304 3273219 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2CC3CC2C=C3 1 1.829 2 5 0 -14.9612638097501 3273195 CC(C)C1=CC=C(C=C1)NC(=S)N2CCCC2 1 4.703 2 0 -9.98180836411719 3273194 COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2CC3CC2C=C3 1 1.877 1 5 0 -10.1391197946096 3272880 CC(C)OCCCNC(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O 1 3.543 4 2 -22.2006375000458 3272768 CC1CCN(CC1)C(=O)CCCNC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCCC4 1 2.19 4 3 0 -37.3567500328352 3272761 C1COCCN1C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=C(C=CC(=C5)F)F 1 4.909 3 3 -24.8210332735178 3272728 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5OC 1 6.031 3 2 -22.7874865367357 3272650 CC1=CC(=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C=C(C1=O)C 1 2.51 3 2 -10.0616806743973 3272645 CCC1=CC=CC(=C1NC(=S)N(CCCN2CCOCC2)CC3=CN=CC=C3)C 1 4.798 4 1 -11.722075081748 3272635 CN(C1=C(C(=O)N(N=C1)C2=CC(=C(C=C2)F)Cl)Cl)N=CC3=CC=CC=N3 1 3.008 5 1 -0.41571437118906 3272605 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)N 1 2.085 3 3 -4.47734948080412 3272474 COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)N3CCCC3 1 3.12 2 2 -9.26571357433651 3272472 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)NC(=O)COC3=CC4=CC=CC=C4C=C3)C 1 5.304 2 4 -7.68492586549956 3272448 CC(C)(C)OC(=O)NN=CC1=CC=C(C=C1)OC(=O)C2=CC=CO2 1 3.42 2 5 0 -11.1071246107238 3272439 CC1=CC=C(C=C1)C=NNC2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F 1 5.381 4 0 1.80778383454871 3272409 COCCCN1C2=C(N=C1C3=CC=C(C=C3)OC)N(C(=O)NC2=O)CC4=CC=CC=C4 1 3.117 4 4 0 -6.6903895870902 3272407 C1C(=NN2C(=NN=C2S1)CC3=CC=CC=C3F)C4=CC=C(C=C4)F 1 4.166 4 0 -6.22731295386014 3272331 CC(C(=O)N1CCOCC1)OC2=CC(=CC3=CC=CC=C32)C4=CC=CC=C4 1 3.678 1 3 -7.0811605215527 3272307 CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)Cl)C)C 1 3.242 3 6 0 -30.2810329229758 3272283 CC(=NNC1=CC=C(C=C1)F)C2=CC=C(S2)Cl 1 4.047 2 0 3.87540007475042 3272271 CC1(CC2=C3C4=C(C(=NN=N4)NCC5CCCO5)SC3=NC(=C2CS1)N6CCOCC6)C 1 2.763 6 2 0 -15.1182608951967 3272255 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCCC(=O)N3CCC(CC3)C(=O)N)C 1 -0.257 5 4 0 -28.4815543901495 3272141 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=CC=NC=C2 1 1.067 3 3 0 -13.4316346654476 3272137 CC(C(=O)N)OC(=O)C1=CC2=C(C=C1)C(=O)N3CCCC3=N2 1 0.484 3 4 0 -14.0219140548451 3272120 COC1=C(C=CC(=C1)C=O)OC2=NC=CN=C2 1 1.371 2 3 0 -6.56395215637598 3272116 CC(=NOC)C1=C(C=C(C=N1)C(F)(F)F)N2CCOCC2 1 1.746 3 2 0 1.35832558056034 3272115 C1CN(CCN1C2=CC=CC=C2F)C3=C(C=CC=N3)[N+](=O)[O-] 1 3.109 4 2 1.55742188043426 3272082 C1CCC(CC1)N2C(SCC2=O)C3=CC=C(C=C3)Cl 1 4.185 1 1 -7.05795700227343 3272080 CCOC(=O)C1=NNC2(C1C(=O)N(C2=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4 1 2.816 3 4 0 -4.34720640682128 3272069 CCC(C)C(C(=O)O)NC(=O)C1=C(C=C(C=C1)Cl)Cl 1 3.631 1 3 -13.32203377019 3271966 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CN3C(=O)C4CC=CCC4C3=O 1 1.224 4 5 0 -7.03402386960973 3271963 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N(CC=C)C3=CC=C(C=C3)F 1 2.639 2 7 0 -30.337488219845 3271879 CCCC(C)NC1=NCCCCC1 1 2.508 2 0 -9.77682126607214 3271781 COC1=C(C=C(C=C1)CN2CC(=O)N(C2=S)C3=CC=CC=C3OC)OC 1 3.786 2 4 -10.2920714284933 3271780 COC1=C(C=C(C=C1)CN2CC(=O)N(C2=S)C3=CC=C(C=C3)Cl)OC 1 4.466 2 3 -7.27906906205494 3271779 CC1=CC=C(C=C1)N2C(=O)CN(C2=S)CC3=CC(=C(C=C3)OC)OC 1 4.288 2 3 -9.10106775264176 3271778 CC1=CC(=C(C=C1)N2C(=O)CN(C2=S)CC3=CC(=C(C=C3)OC)OC)C 1 4.774 2 3 -9.10894710742374 3271777 COC1=C(C=C(C=C1)Cl)N2C(=O)CN(C2=S)CC3=CC(=C(C=C3)OC)OC 1 4.45 2 4 -7.49817057503584 3271776 CC1=CC=CC=C1N2C(=O)CN(C2=S)CC3=CC(=C(C=C3)OC)OC 1 4.288 2 3 -10.0793002383979 3271775 CC1=C(C=C(C=C1)Cl)N2C(=O)CN(C2=S)CC3=CC(=C(C=C3)OC)OC 1 4.953 2 3 -6.7011489862783 3271692 C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4 1 0.712 3 5 0 -23.0622474079133 3271684 CC1(CC2=C3C4=C(C(=NC=N4)NCC5CCCO5)SC3=NC(=C2CO1)C6=CC=CO6)C 1 3.627 4 3 0 -10.1599283939639 3271558 COC1=C(C=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2Cl)S(=O)(=O)NC3=CC=C(C=C3)Cl 1 4.04 2 6 0 -12.6587951886306 3271554 C1C=CCC(C1C(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C(=O)O 1 2.929 2 4 -12.4746206745681 3271506 C1=CC=C(C(=C1)C(=NC2=CC=CC=C2Cl)NO)Cl 1 4.01 2 1 2.15441219103536 3271392 C(CSCCC(=O)NC1=C(C(=C(C(=C1F)F)F)F)F)C(=O)NC2=C(C(=C(C(=C2F)F)F)F)F 1 4.619 2 2 -8.12285685907196 3271386 C1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.09 2 3 -16.2461677862824 3271364 CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC(=CC(=C2)C)C 1 2.74 2 3 -6.86152356224828 3271333 CC1=CC(=CC=C1)NC(=S)NCC(C)CSC2=CC=C(C=C2)Cl 1 6.364 2 0 -2.25454034491069 3271028 CC1=C(C=CC(=C1)OC)NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br 1 4.499 4 4 0 -12.2748494293561 3271009 C1=CC=C(C=C1)N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.571 6 2 0 -7.81548704797123 3270877 C1=CC(=CN=C1)C=NNC2=NC(=O)C(S2)CC3=CC=C(C=C3)SC(F)F 1 4.204 4 1 -4.64098359086078 3270837 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)NC(=O)CCC(=O)C3=CC=C(C=C3)F 1 3.927 2 4 -5.09078629798297 3270671 C1COC2=CC=CC=C2C13C(=O)N(C(=O)N3)CC(=O)NC(=O)N 1 -0.774 4 5 0 -7.33127513575485 3270644 CC1=NC2=C(C=CC=C2NC3C4=CC=CC=C4C(=O)O3)C=C1 1 3.564 2 2 -4.21623162581954 3270483 COC(=O)C(C(F)(F)F)(NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)F 1 3.453 4 7 0 -18.3382319321961 3270477 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC3=CC4=C(C=C3)C(=O)NC4=O 1 2.384 2 3 -8.69804653958015 3270457 CC1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl 1 4.574 2 3 -6.74810289739075 3270429 CCOC1=CC=C(C=C1)NC(=O)NC(=O)N(C)S(=O)(=O)C2=CC=C(C=C2)C 1 2.902 3 5 0 -1.36851195658125 3270424 CCC(C)NC(=O)C1=CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C 1 2.459 2 3 -22.2566303990622 3270420 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=CC=C2O)OC(=O)CC3C(=O)NC(=O)S3 1 2.307 3 7 0 -14.6506121075634 3270222 CCCC(=O)N(C1CC(C(C1(C#N)C#N)(C#N)C#N)C)N(C)C 1 0.692 6 1 0 -9.75109134063123 3270215 C1CS(=O)(=O)CCN1C(CO)C2=CC=CC=C2 1 0.809 1 3 0 -9.65645519847197 3270210 CS(=O)CC1=CC(=NC(=N1)C2=CC=NC=C2)OC3=CC=CC=C3 1 2.272 3 2 7.09731574953605 3270170 CC(=O)N1C(OC(=N1)C2=CC=CC=C2)(C)CC3=CC=C(C=C3)OC 1 2.907 2 3 -3.3576758417971 3270154 CC1=CC=C(C=C1)C(=O)NC2=NC=C3COC4=CC=CC=C4C3=N2 1 3.527 3 2 -1.97526528029457 3270151 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-] 1 2.384 5 5 0 -15.5702520468555 3270116 CC(C)(C)NC(=S)NCC1=CN=CC=C1 1 2.021 3 0 -13.4841250710794 3270114 C1CN=C2N(C1)C(=O)C(=CC3=CC=C(C=C3)F)S2 1 2.495 2 1 -9.47600612888571 3270064 CC1=CC(=C(C=C1)CN2CCN(CC2)CC(CN3C4=CC=CC=C4N5C3=C(C(=CC5=O)C)C#N)O)C 1 4.475 5 2 0 -2.45032250763681 3270031 COC1=CC=CC=C1N(CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC=NC=C5 1 3.243 3 4 0 -8.63580748954888 3269995 C1C(OC2=CC=CC=C2C1=NNC(=O)C3=CC=CC=N3)C4=CC=CC=C4 1 3.471 3 2 -6.1528191613976 3269960 C1=CC2=NC(=CC(=O)N2C=C1Cl)CSC3=NC4=C(C(=O)N3CCCCC(=O)O)SC=C4 1 2.81 4 4 0 -33.7883071136459 3269956 C1=CC=C(C=C1)C(=O)NN2C(=O)C3=C(C=CS3)N=C2SCC4=CC=CC=C4F 1 4.812 3 2 -24.8954364430959 3269951 C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)Cl)C(=O)O 1 4.589 2 2 2.89654036337552 3269943 CC1=CC=CC=C1N2C(=CC(=N2)C(=O)O)C3=CC=CC=C3 1 4.41 2 2 -2.99201348046719 3269733 CC1CCN(CC1)C2=C(C(=NC(=N2)N(C)C3=CC=CC=C3)N)[N+](=O)[O-] 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CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O 1 4.515 1 6 0 -15.4612978005849 3265778 C1=CC=C(C(=C1)OC(=O)C2=CN=C(C=C2)N3C=NC=N3)Cl 1 2.857 4 2 -10.6568209910636 3265698 CC(=NNC(=O)C1=CC=NC=C1)CC(=O)NC2=CC(=CC=C2)F 1 1.01 4 2 0 -7.06188635902634 3265672 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C=NNC(=O)C3=CC=NC=C3 1 2.592 4 1 -0.949077493845025 3265648 CC1=CC(=C(C=C1)C)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2 1 6.173 3 1 -18.9048799625127 3265626 CC(C(=O)O)SCC(=O)NC12CC3CC(C1)CC(C3)C2 1 1.963 1 3 0 -11.1370369541184 3265551 C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.543 3 3 -14.269508048444 3265549 C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.108 4 5 0 -19.3271989140104 3265545 CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3C(CC4=CC=CC=C43)C)C 1 4.528 2 5 0 -18.6610304510783 3265453 CN(C1CCS(=O)(=O)C1)C2=C3C4=C(CCC4)SC3=NC=N2 1 2.248 3 2 -16.8925654005751 3265407 CC1=CC=C(C=C1)C(=O)ON=CC2=CC=CC=C2OC 1 3.614 1 3 -0.307396952567252 3265387 CCCOC(=O)CSC1=NC(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3 1 3.068 3 4 0 -22.0924454896741 3265281 COC(CNS(=O)(=O)C1=CC=CC2=NON=C21)OC 1 0.248 3 5 0 -10.9287803678372 3265247 CC1=CN=CN1CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)NC5=CC(=CC=C5)Cl 1 3.656 7 1 0 -11.238866417173 3265245 CC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C4=NC(=NN42)CCN5C=NC=C5C 1 3.478 7 1 0 -16.8117438146922 3265222 C1COCCN1C(CNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CS4 1 3.559 3 4 0 -16.1266125704327 3265034 CC1=CC=C(C=C1)C2CN(CC2C(=O)C3=CC=C(C=C3)F)C 1 3.918 1 1 2.36369456306959 3265032 CC1=NN2C=NN=C2C(=C1)OC(=O)C3=CC=C(C=C3)OC 1 1.856 4 3 0 -9.50026600759504 3264891 C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=CC3=C2C=CC=C3O 1 5.181 2 2 -6.14702533533041 3264798 CC1=C(C=C(C=C1)C(=O)C2=NC=CN2C)C 1 2.706 2 1 -2.47357983914972 3264753 C1CN(CC2=CC=CC=C21)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCC5=CC=CC=C5 1 4.506 5 3 0 0.988512914077235 3264598 CCOC(=O)C(=NNC1=CC=CC=C1Cl)N(C)C2CCS(=O)(=O)C2 1 1.961 3 4 0 -11.7467161747891 3264499 CC(=O)NC1=CC=C(C=C1)N=C2C=C(C=C(N2O)Cl)[N+](=O)[O-] 1 1.404 4 4 0 -0.649348643075327 3264496 CCOC1=CC=C(C=C1)N2C3=C(C(=O)N=C(N3)SCC(=O)C(C)(C)C)SC2=S 1 5.67 3 3 -16.5155365141724 3264474 CC1=CC=C(C=C1)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NC3CCCCC3 1 1.787 3 5 0 -21.0846736914442 3264282 CC1CC(NC(=S)N1CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)(C)C 1 2.609 4 3 0 -8.5294954043418 3264279 CC1CC(NC(=S)N1CC(=O)N2CCN(CC2)CC3=CC=CC=C3)(C)C 1 2.841 4 1 -7.52393296301647 3264275 CC1CC(NC(=S)N1CC(=O)N2CCN(CC2)C3=C(C=CC(=C3)C)C)(C)C 1 3.902 4 1 -7.76781873816586 3264271 CC1CC(NC(=S)N1CCC(=O)NCC2=CC=C(C=C2)Cl)(C)C 1 3.59 3 1 -13.4831078255462 3264211 CC1=C(C(N2C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)SC2=N1)C4=CC=CC=C4OC)C(=O)C 1 3.913 2 6 0 -26.9399402732934 3264205 CCN1C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC(C)(C)C 1 2.754 4 2 -15.8421874754612 3264193 C1=CC=C(C(=C1)C(=O)NO)C(F)(F)F 1 1.787 1 2 0 -1.56425786771325 3264154 CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)OC)NC(=O)CC3=CC=CC=C3)C 1 3.36 2 3 -22.9357630261381 3264085 C1CC1NC(=O)C2=C(C=CS2)NC(=O)C3=CC=CC=C3 1 2.265 2 2 -11.4289549937769 3264076 CCN1CCC2=C(C1)SC(=C2C(=O)NC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 1.762 4 4 0 -28.5451945516341 3263975 CNC1=C(C=NN1C2=NC(=CC=C2)Cl)[N+](=O)[O-] 1 2.146 5 2 0 -5.44007806724824 3263973 CC1=NOC(=C1C#N)NC(=O)C2=CC=C(C=C2)F 1 1.56 3 2 0 -8.82468309833393 3263919 CC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 3.825 3 2 -10.8473034112414 3263785 C1=CC=C(C(=C1)CNC(=O)CN2C=NC=N2)Br 1 1.187 4 1 0 -18.6876172553692 3263727 C1=CC=NC(=C1)C=NNC(=O)C2=C(C=CC(=C2)Br)O 1 2.467 3 2 3.53676069120649 3263719 C1COCCN1C2=C(C=C(C=C2)C(=O)NN=CC3=CC=CC=C3)[N+](=O)[O-] 1 2.427 4 4 0 -9.2411360129873 3263632 COC1=CC(=CC(=C1OC)OC)C2C3=C(CCCC3=O)NC4=C2C(=O)N(N4)C5=CC=CC=C5 1 2.618 3 5 0 -20.6250699119319 3263630 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N 1 2.267 3 5 0 -19.5608299801178 3263533 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=C(C=C4)[N+](=O)[O-] 1 1.437 6 6 0 -29.6366829487648 3263484 C1CCC(C1)NC(=O)NC(=O)COC(=O)CCCSC2=NC3=CC=CC=C3N2 1 2.947 4 4 0 -17.4807759464078 3263450 CCCCNC(=O)CC1C(=O)N=C(S1)NN=CC2=CC=C(C=C2)OC 1 2.706 4 3 0 -18.7984380646733 3263356 CC1=CC=C(C=C1)NC(=O)C2=C(C3=C4CC(OCC4=C(N=C3S2)N5CCOCC5)(C)C)N 1 3.406 4 3 0 -14.2824697827854 3263302 CC(=O)N1CC(C(=N1)C2=CC=C(C=C2)OC)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.512 3 4 0 -4.81960229916065 3263209 CC1CCC(CC1)C(=O)NNC(=O)C2=NNC(=C2)C3=CC=CO3 1 2.663 4 3 0 -6.01758931994585 3263117 C1CC(OC1)CNC2=NC(=C(C(=N2)NC3=CC(=CC=C3)F)[N+](=O)[O-])N 1 1.611 6 3 0 -0.618700786527712 3263059 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCCCC3 1 2.467 2 6 0 -16.0057425676946 3263042 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)OCC3CCCO3 1 2.654 1 6 0 -18.2892425611313 3262927 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O 1 1.358 2 7 0 -21.0198229720861 3262924 CC(C)SC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=N1)SCC(=O)O 1 4.002 2 3 -23.0531202182763 3262877 CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2(CCOCC2)C3=CC=C(C=C3)OC 1 2.217 2 6 0 -23.597826770645 3262851 CC1=C(C=C(C=C1)C(C(Cl)Cl)NC(=O)N(C)CC2=CC=CC=C2)F 1 4.571 2 1 -0.170468860663922 3262734 C1=CC=C(C=C1)OCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 4.107 2 3 0.688526372148912 3262709 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Br 1 3.712 1 3 -11.1253376272929 3262634 C1OC2=C(O1)C=C(C(=C2)C=NNC3=NC(=O)C4=CC=CC=C4N3)[N+](=O)[O-] 1 2.133 5 5 0 -10.5539556592341 3262583 CC1=C(N=C(S1)C2=CC=NC=C2)OC(=O)C3=CC=C(C=C3)Cl 1 3.84 2 2 2.21531878384114 3262567 CC1(CC(=O)C(C(=O)C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C 1 1.73 1 5 0 -17.0626256427986 3262536 CC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 3.535 3 4 0 -9.07116991702166 3262513 CCN1C2=C3C(=C(C=C2)S(=O)(=O)N4CCCC(C4)C(=O)OCC)C=CC=C3C1=O 1 2.176 2 5 0 -18.6928203886601 3262498 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NCC4CCCO4)C=CC=C3C1=O 1 1.517 2 4 0 -14.6144458678374 3262387 COC(=O)C1=NN(C(=C1C=NO)SC2=CC=C(C=C2)Br)C3=CC=CC=C3 1 5.158 3 3 3.17098337593555 3262381 CCOC(=O)C(=CNCC(=O)OC)C(=O)OCC 1 -0.14 1 6 0 -7.41654202093554 3262248 CC1=C(C(C2=C(N1)NC(=S)NC2=O)C3=CC=C(C=C3)OC)C(=O)OC 1 1.996 3 4 0 -25.4068837300703 3262203 CCOC(=O)COC1=C(C=C(C=C1Br)C2C(=C(NC(=O)N2)C)C(=O)C)OC 1 1.711 2 6 0 -34.8333613635724 3262185 CCCCNC(=O)C1C2CC(C1C(=O)O)C=C2 1 1.244 1 3 0 -10.8428417064927 3262174 CC1=C(C=CC=C1Cl)NC(=O)C(=O)NN=C(C)C2=CC=NC=C2 1 1.93 4 2 0 -7.25896607391262 3262113 COC(=O)C1=CC=C(C=C1)N(CC=C)S(=O)(=O)C2=CC=CC=C2 1 2.995 1 4 -15.4179828970639 3262035 CC1=CC=C(C=C1)CNC(=O)CCCC2=CN(C3=CC=CC=C32)C 1 4.554 2 1 -11.9866925092119 3261980 CCCCCCCCNC(=O)CCCC(=O)OCC#C 1 4.246 1 3 -23.8463163997673 3261939 C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)CO 1 3.218 0 4 -4.85142556602645 3261919 CC1=C(SC(=C1C(C2=CN=CC=C2)N3CCCC3)NC(=O)C4=CC=CO4)C 1 3.424 3 2 -12.1796739622397 3261893 C1CCCC(CC1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.726 1 3 -14.9509947161315 3261845 C1=CC=C(C=C1)C(=O)NN2C(=O)C3=C(C=CS3)N=C2SCC4=CC=C(C=C4)F 1 4.812 3 2 -22.1483844443811 3261728 C1=CC=C(C(=C1)C(=O)O)SCC2=CN3C=CC=CC3=N2 1 2.54 2 2 -7.94197617190809 3261716 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4N3)C 1 4.865 4 1 -3.16324377398085 3261714 COC1=C(C=C(C=C1)NC(=O)CCC2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 1.894 2 5 0 -22.496499156866 3261628 CC1=NN=C(N1N=CC2=CC=CC=C2)C 1 1.566 4 0 0 -0.260386404835245 3261615 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC3=CC(=C(C=C3)OC)OC)OCC 1 4.678 2 5 0 -9.42756242197674 3261608 CCCN(CCC)C(=O)CSC1=NC2=C(C(=O)N1NC(=O)C3=CC=CC=C3)SC=C2 1 4.034 4 3 0 -30.7899959130114 3261606 CC(=NNC(=O)C1=CC=NC=C1)CC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.133 4 2 -7.02037246421368 3261573 CC(=NNC(=O)CC1C(=O)NNC(=N1)CC2=CC=CC=C2)C3=C(C=C(C=C3)Cl)Cl 1 2.586 5 2 0 -7.86765816242963 3261567 COC1=CC=CC=C1N2C(=O)C3=C(N=C2SC)N(C(=S)S3)C4=CC=CC=C4 1 5.976 3 2 -7.10243079732331 3261208 CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)C3=C(C=CS3)NC2=O 1 0.446 4 5 0 -14.8029969410535 3261167 C1CN(C2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 3.5 3 2 -16.9047571700514 3260949 CCN(CC)C(=NS(=O)(=O)C1=CC=CC=C1C)C2=CC=CC=C2 1 3.839 2 2 -8.92745840485509 3260889 CC1(CC(CC(N1)(C)C)N2CCC(C(C2)C(=O)C3=CC=CC=C3)(C4=CC=CC=C4)O)C 1 3.285 2 2 -0.417176305943377 3260865 CCOC(=O)C1=C2CCCN2C(=C1N=CN(C)C)C#N 1 1.413 4 2 0 -6.99400111578073 3260782 COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=CC=N3)OC 1 2.077 4 3 0 -13.5480266561796 3260720 C1CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC=CC=C4)C(=O)C1 1 3.607 3 1 -18.8055166060239 3260713 CCC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)NN)C)C 1 1.182 4 2 0 -11.9477423503022 3260700 CC1=CC=CC=C1N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C(C)C 1 2.418 3 3 -12.4591094530464 3260577 CC1=C(NC2=C1C(=O)CC(C2)C3=C(C=CC(=C3)OC)OC)C(=O)OC 1 3.199 1 5 -10.3077521374821 3260624 CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=CC=C3)C 1 2.685 3 3 -10.0504721284955 3260614 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=C2CCN(CC2)C)C3=CC=C(C=C3)F 1 2.415 4 3 0 -11.8834801180263 3260561 CN1C2=C(C(=CC(=N2)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C1=O)C 1 2.061 4 6 0 -9.97888442839486 3260541 CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CCCCC3 1 2.591 2 5 0 -17.2224548783591 3260520 CC1=NNC(=O)C1CC(=O)NN=CC2=CC=NC=C2 1 -0.946 5 2 0 -16.6095790221858 3260494 C1=CC(=CC=C1C(=O)NN=CC2=CC3=NC=CN=C3C=C2)[N+](=O)[O-] 1 2.042 5 3 0 -6.18957725015891 3260481 C1=CC(=CC=C1C2C=C(C(=O)N2C3=CC=C(C=C3)S(=O)(=O)N)NC4=CC=C(C=C4)S(=O)(=O)N)F 1 1.841 4 5 0 -8.45837673477341 3260454 CC1=NN=C2N1C3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2C 1 1.265 4 2 0 -17.8681548595273 3260396 C1CN(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)F 1 4.026 3 3 -13.5180211792438 3260330 CCOCCCNC(=O)CC1=CC=C(C=C1)F 1 1.558 1 2 0 -13.2656464821752 3260315 CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 1.394 5 5 0 -21.3600632827 3260314 CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NC4=CC(=CC=C4)S(=O)(=O)N 1 4.095 3 5 0 -3.90344281909057 3260312 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)Cl 1 4.404 4 5 0 -35.3513380304696 3260294 C1CC(=O)NC1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 0.295 3 4 0 -11.8441364094131 3260199 C1C2C=CC1C3C2CN(C3)C(=O)C4=CC=CC=C4[N+](=O)[O-] 1 2.01 2 3 -7.47451728487183 3260198 C1C2C=CC1C3C2CN(C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.01 2 3 -6.70052836288581 3260141 CCOC1=CC=C(C=C1)C2NC3=C(C(=O)N2)SC(=S)N3C4=CC=CC=C4 1 4.682 3 2 -3.41589316429019 3260092 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=CC=C3 1 2.931 3 7 0 -13.5249528318894 3260064 CC1=CC=CC=C1C2=NC(ON2)C3=CC=CC=C3OC 1 3.216 2 2 -0.272712655515937 3259972 CC1=CC(=NN1CC(C)(C2=CC=CC=C2)O)C 1 2.185 2 1 -3.93739961760141 3259805 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=C(N=CC=C3)Cl 1 1.335 3 6 0 -24.4289227488968 3259767 C1=CC(=CC(=C1)NC(=S)NN=CC2=CN=CC=C2)C(=O)O 1 2.565 4 2 -7.96095236352302 3259723 CC1=CC(=C(C=C1)C)NC(=S)N2CCCCC2CO 1 4.427 2 1 -6.98449152613028 3259700 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)C4=CNC5=CC=CC=C54 1 3.178 3 3 0.983571323320473 3259634 C1=CN(N=C1)CC2=CC=C(O2)C(=O)NN 1 4.6e-002 4 2 0 -6.40081670581443 3259549 COCCOC(=O)C(CC(=O)O)NCC1=CC=CO1 1 -2.714 1 6 0 -13.5597617091725 3259540 CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 1 3.305 4 5 0 -21.8286532379139 3259522 C1=CC(=CC(=C1)O)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O 1 3.473 3 3 -6.47486048192978 3259517 CC1=CC=C(C=C1)NC(C)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 3.286 4 3 0 -3.85600719359844 3259402 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)NC(=O)NC(C)(C)C)C 1 0.251 4 7 0 -23.6682612097901 3259305 CC1(CC(CC(N1)(C)C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C 1 1.957 4 2 0 -18.8571310572229 3259235 CC(=O)C(=NNC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 1 5.504 5 1 -9.33305885072522e-003 3259215 CC(C)CCNC(=O)COC1=CC=CC2=C1OC(C2)(C)C 1 3.094 1 3 -16.6209968119494 3259083 CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N 1 1.683 5 2 0 -2.05012559920212 3259084 CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5 1 4.921 5 1 7.33936529836147 3259106 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC 1 3.406 4 4 0 -17.6842492289724 3258057 CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCCC3=CC=CC=C3 1 4.018 1 4 -7.46679959729737 3257995 COC1=CC=C(C=C1)S(=O)(=O)ON=C2CCCC3=CC=CC=C32 1 3.746 1 4 -2.32770427637809 3257887 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N(C)C 1 3.405 3 4 0 -11.7507416303636 3257857 CCC1C(=O)N(C(=O)C(S1)CC)CC(=O)NC2=CC=C(C=C2)C(=O)OCC 1 2.387 2 5 0 -12.6202187735341 3257812 CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NCCCN4CCCC4=O 1 0.387 5 3 0 -25.7916557654269 3257755 C1=CC(=CC=C1C2=CN3C=C(C=CC3=N2)C(=O)NN)Br 1 1.776 4 1 0 -1.499068149146 3257704 CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)OC 1 3.361 4 5 0 -15.3774508422674 3257691 CC(=O)NC1=CC=C(C=C1)NC2CCCCC2NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.414 3 3 -9.58935818005124 3257575 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=NOC(=C2)C)C3=CC=C(C=C3)F 1 1.58 4 4 0 -14.9729916120276 3257554 CCCCNCC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O 1 4.954 1 1 0.617003459759701 3257543 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3 1 2.599 2 6 0 -24.4983549754595 3257365 COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CO4)C5=CC=CC=C5OC 1 3.95 2 6 0 -14.5053710683156 3257353 CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=C(C=CS2)C 1 4.686 3 1 -9.36435507555975 3257323 COC1=CC=CC=C1C=NNC(=O)CC(=O)NCCC2=CC=CC=C2 1 2.296 3 3 -10.5683464420048 3257272 CC(=NNC(=S)NC1=CC=C(C=C1)F)C2=CC3=C(C=C2)OCCO3 1 4.057 3 2 -9.11373108955194 3257222 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NCCC3=CC=C(C=C3)Cl 1 2.989 2 2 -10.9396128370965 3257219 CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C4=CC=CC=C4 1 3.972 4 3 0 -28.8179517625695 3257167 CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3)C 1 3.027 2 5 0 -26.3032795388805 3257079 CC1=CC(=O)N=C(N1)NN=CC2=C(N(C(=C2)C)C3=CC=CC=C3)C 1 2.575 5 1 -11.8053830143078 3256973 C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)Cl)F 1 5.236 2 0 -0.774093803061367 3256937 CC(=NNC1=NC(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)OC)OC 1 5.483 4 2 -0.268047858521254 3256935 COC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-] 1 3.748 3 5 0 -13.5946054051155 3256929 CSCCC(C(=O)OCC(=O)NCC(F)(F)F)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl 1 2.182 3 6 0 -25.5822930984539 3256905 C1=CC(=CC(=C1)F)NC2=C(C=CC3=NON=C32)[N+](=O)[O-] 1 3.049 4 3 0 2.45497958658669 3256885 C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=O)CCC(=O)O 1 -0.605 3 5 0 -18.1372640535208 3256817 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-] 1 4.042 3 4 0 -8.44310266138666 3256750 COC1=CC(=CC=C1)OCCNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 4.651 2 3 -11.4926782289002 3256640 CC1CC(=NNC(=S)NCC2=CC=CC=C2)CC(C1)(C)C 1 4.249 3 0 -13.943168987076 3256621 CCOC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)O)C4=CC=C(C=C4)F)SC2=S 1 6.012 3 4 0 -16.0226005098439 3256619 CCN(CC)C(=O)CSC1=NC2=C(C(=O)N1C3=C(C=C(C=C3)OC)OC)SC(=S)N2C4=CC=CC=C4 1 5.923 4 4 0 -21.1229454467638 3256609 COC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.682 1 6 0 -11.3622043842113 3256543 COC(=O)C(CC1=CC=CC=C1)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.296 2 5 0 -15.0010556124751 3256527 CC1=NN(C(=C1C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC)N4CCCC4)C5=CC=CC=C5 1 4.411 6 4 0 -11.9360496013568 3256466 C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCC(CC(=O)O)C3=CC=CC=C3 1 2.865 2 5 0 -16.3662694926322 3256448 CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2 1 1.998 3 5 0 -15.7960074106619 3256356 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.624 4 7 0 -11.2837236508606 3256374 CCC(C)NC1=NC=NC2=C1C=NN2CC3=CC=C(C=C3)Cl 1 3.473 5 0 -3.56908843311915 3256325 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=C(C=C4)F)C(=O)NCCN5CCOCC5 1 1.316 6 3 0 -22.1037119710095 3256126 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4 1 3.822 3 2 4.64839217409384e-002 3256124 CCN1C(=NN=C1SCC(=O)N(C)C2CCS(=O)(=O)C2)C3=CC=CC=C3 1 1.53 4 3 0 -21.6605954570266 3256087 CC(=O)NC1=C(C=CC(=C1)C(=O)N(C)CC2=CC=CO2)SC3=CC=C(C=C3)Cl 1 3.912 2 3 -6.50398436160949 3255985 CCC1=CC=C(C=C1)NC(=NC(=O)C)NC2=NC(=CC(=N2)C)C 1 2.817 5 1 -5.42903122426763 3255946 CC1=CSC2=NC=C(C(=O)N12)C(=O)NC3=CC=CC=C3SC 1 1.681 3 2 0 -16.5865558903519 3255937 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C#N 1 3.407 4 4 0 -22.4473187251801 3255800 C1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)O)N)C4=CC=C(C=C4)F 1 4.585 2 2 -0.230914565033455 3255798 CCCCCCC1CC(C(=O)O1)CCC2=NC(=S)NN2 1 3.535 3 2 -4.94898093878098 3255734 C1=CC=C(C=C1)C(C(=O)NN=CC2=CC(=CS2)Br)O 1 2.767 2 2 -3.98635588653986 3255634 CCCCCCC(C)NC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N(C)C)C 1 5.19 3 2 -19.3500795132658 3255596 CCOC1=CC=CC=C1C=NNC2=CC=NC(=O)N2 1 1.811 4 2 0 -4.37955724029318 3255536 C1=CC=C(C=C1)C(CCNC(=O)C2=CN=C3N(C2=O)C=CS3)C4=CC=CC=C4 1 2.694 3 2 -20.1013183783644 3255478 CC1=CC=CC2=NC(=C(C(=O)N12)Cl)C 1 1.157 2 1 0 -7.71345162749685 3255338 C1CN(CC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)F 1 3.022 2 1 -10.1318841562966 3255312 CC1=CC=C(C=C1)C2=C(SC(=N2)C3=CN=CC=C3)CC(=O)NC4=CC=C(C=C4)NC(=O)C 1 3.724 4 2 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CC1=CC(=C(C=C1)OC)NC(=O)C2COC3=CC=CC=C3O2 1 2.857 1 4 -3.98366120200616 3253725 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.302 5 3 0 -15.1657373060479 3253645 CC1(CC(CCO1)(CC(=O)O)C2=CC=C(C=C2)F)C 1 2.424 0 3 -13.3963820571714 3253630 CN(C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2CCCC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.584 2 6 0 -18.3231906509257 3253625 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC3=C(C=C2C#N)C(=O)CCC3 1 2.585 4 4 0 -23.1787271470077 3253517 CCCCC(=O)NC(=S)NC1=NN(N=N1)CCC 1 2.657 6 1 0 -13.4708290080664 3253441 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.188 2 3 -10.2969440017889 3253295 CCN1C(=C(C(=N1)C)C=NNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C 1 3.992 4 1 -5.78412252130372 3253265 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 -8.1e-002 3 6 0 -27.3601096184748 3253165 CC1=CC(=NO1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4 1 3.503 4 3 0 -25.9220443438455 3253072 CC(C1=CC=CC=C1)NC(=O)COC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.481 1 3 -15.2854060608485 3252879 CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.292 2 5 0 -16.062969844373 3252833 CCC1=C2CSC(CC2=C(C(=N1)NCCO)C#N)(C)C 1 2.049 3 1 -6.60511566672481 3252699 CCC(C)OC(=O)C1=CC(=NC2=C(C=C(C=C12)Br)Br)C 1 4.901 1 2 -1.28875593039504 3252667 CC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NOC(=C3)C)O)C(=O)C4=CC5=CC=CC=C5O4 1 4.182 2 5 0 -14.8307057288279 3252560 CC1=CC=C(C=C1)C2=C(C=NC3=C(C(=NN23)N)N=NC4=CC=CC=C4Cl)C#N 1 5.241 7 0 0 4.61672667309337 3252549 CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)C3=CC(=CC(=C3)C)C)C(=O)C 1 1.447 3 5 0 -11.0485204718457 3252537 CC1=CC(=NC(=C1C#N)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=C(C=C4)F)C 1 4.29 6 1 0 -13.3214297175205 3252484 C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)NNC(=O)C2=CC=NC=C2 1 0.245 4 6 0 -8.95270567015369 3252409 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C(=O)N 1 2.695 4 2 -3.34302135227208 3252335 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)C=C1 1 3.243 4 3 0 -22.2152862046727 3252210 CC1=C(C=C(C=C1)N2C(=O)C(C(=N2)C)C(C3C(=NN(C3=O)C4=CC(=C(C=C4)C)C)C)C5=CC(=CC=C5)O)C 1 5.33 4 3 0 1.11921052577885 3252203 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NC4=CC=CC=C43 1 3.804 4 3 0 -19.2722104903474 3252186 CCCCCOC1=CC=C(C=C1)NC2=CC(=O)CCC2 1 4.014 1 2 -8.05705554706304 3252126 CS(=O)(=O)N1CC2CCCN2C3=C1C=CC(=C3)C(F)(F)F 1 2.359 2 2 -0.445964256327647 3252078 CC1(CC2CC(C1)(CN2C3=NC=NC4=C3C=C(C=C4)Br)C)C 1 4.259 3 0 -2.05860131156348 3251773 C1COCCN1CCCN(CC2=CC=CC=N2)C(=S)NC3=CC=CC=C3Cl 1 4.249 4 1 -8.28529075713558 3251772 C1COCCN1CCCN(CC2=CC=CO2)C(=S)NC3=CC=CC=C3Cl 1 4.366 3 2 -9.31818518033183 3251735 CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NCC3=CC=CS3)C(C)C 1 3.313 2 2 -15.398960300602 3251696 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)NC4=CC=C(C=C4)Cl 1 5.136 3 1 4.64497653122679 3251584 C1COC2=C(C=C(C=C2)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)OC1 1 4.403 1 3 -6.94834510129796 3251541 CC(C)C(=NNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)[N+](=O)[O-])C 1 3.25 4 5 0 -10.3692124395858 3251516 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.213 6 4 0 -15.066170969787 3251511 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.071 3 4 0 -24.232538743099 3251494 CC(C)(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)OC3=CC=C(C=C3)Cl 1 4.614 3 4 0 -15.0009013417436 3251438 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 3.165 2 4 -5.12778543373711 3251288 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CC3 1 2.388 4 2 -18.4885942532649 3251287 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-] 1 3.466 3 6 0 -10.2932241892613 3251256 CC1=CC2=C(C=C1)OCC(=O)N2C(C)C(=O)NCC3=C(C=C(C=C3)OC)OC 1 2.406 2 5 0 -12.8454036678621 3251239 COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3CCCC3 1 2.314 2 3 -11.0313782168855 3251179 C1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC=CC=C2C#N)O 1 2.356 1 4 -11.1364812753927 3251156 CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-])C 1 4.005 3 4 0 -6.0304399734539 3251151 COC1=CC2=C(C=C1)C3(CCC2)C(=O)N(C(=O)N3)CC(=O)NC(=O)NCC4=CC=CC=C4 1 2.121 4 5 0 -7.92659394814627 3251141 CN(C)C=NC(=O)C1=CC=CN1C2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.372 4 1 -7.37242337547815e-002 3251140 CC1(CC2=C(C=C(C(=O)O2)NC=C(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=O)C1)C 1 3.352 1 5 -13.9360725789011 3251090 CC(C)COP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=CC=C2OC)O 1 3.807 1 4 -9.86295657527059 3251017 CC1CCN(CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCC4 1 4.068 4 2 -24.8289111798762 3251012 C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)OC(F)F 1 4.901 2 1 -5.73185252098678 3250935 CC1=C(C(=CC=C1)C)N2C(=NN(C2=O)CC#N)C 1 1.901 4 1 0 -6.8142201830937 3250893 CC1=C(C(=NN1CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C)C)[N+](=O)[O-] 1 1.22 5 5 0 -13.9023297249528 3250890 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CCNC(=O)C4=CC=CC=C4Cl 1 1.241 4 6 0 -27.9365177862239 3250827 CC1=CC(=NC2=NC(=NN12)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)OC)C 1 1.71 6 4 0 -25.5952328512694 3250771 CC(C(=O)NN=CC1=CC=CC=N1)NC2=CC=CC3=CC=CC=C32 1 3.014 4 1 -4.82853484421259 3250719 C1C2CC(C1C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 2.227 1 3 -6.41310895240729 3250703 C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O)F 1 3.779 0 3 -0.950649277678151 3250673 CCC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2CC)SC(C3)C 1 1.716 5 2 0 -24.4102943044549 3250639 C1CCC(C1)N(C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C(=O)NC4=CC(=C(C=C4)Cl)Cl 1 3.892 5 3 0 -4.22128150248366 3250632 CCC1CCCCN1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)C 1 2.441 3 2 -9.69156669752502 3250584 C1CN(CCN1C2=CC=CC=C2)C(=O)NC34CC5CC(C3)CC(C5)C4 1 3.348 3 1 -1.6033477438133 3250553 CN(C1=CC=C(C=C1)C(=O)NN=CC2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.344 3 5 0 -11.410119297504 3250549 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)O 1 1.691 3 4 0 -17.315475154034 3250498 CC(=O)NC1=NN(C(S1)(C)C2=CN=CC=C2)C(=O)C 1 0.385 4 2 0 -10.2944044409168 3250446 CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=C(C=C2)NC(=O)C 1 3.459 2 4 -9.86285468146483 3250428 CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(C=C2)F)S1)C)C 1 2.864 2 3 -11.4178972376545 3250407 CCN(CC)CCCN1C(=O)C2=CC(=C(C=C2NC1=S)OCC)OCC 1 3.705 3 3 -7.27775213938914 3250403 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)O)OCC 1 4.02 2 5 0 -7.76503015454524 3250379 CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4 1 3.854 4 3 0 -2.49961708263511 3250373 C1=CSC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=NC=C4 1 1.619 9 2 0 -25.6240402247713 3250325 CCC1=C(SC(=C1C#N)NC(C(=O)OCC)(C(F)(F)F)NC(=O)CC(C)C)C 1 4.414 3 3 -19.3318686350448 3250273 COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=NC=C3)C4=CC=CS4)OC 1 3.177 2 3 -17.3655621819183 3250134 CCC(C)NC(=O)COC(=O)C1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)Br 1 3.363 2 5 0 -18.2476605470434 3250046 COC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)CNC(=O)C3=CC=CO3 1 3.098 1 6 0 -15.1911167422672 3250041 CC1=CC(=NN1C2=NN=C(N2N=CC3=CC=CC=C3OC)C)C 1 2.485 6 1 0 -4.81637298481429 3250014 C1OC2=C(O1)C=C(C=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)F 1 1.548 2 5 0 -9.97777363629205 3250009 CCOC(=O)C1=C(OC2=C(C1C3=C(C=CS3)C)C(=O)CCC2)N 1 2.406 1 4 -18.4462225934065 3249935 COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 2.654 3 3 -4.04070493404869 3249852 CCC(C)(C(=O)NC1CCCC1)N(CC2=CC=CO2)C(=O)CC3=CC=CS3 1 3.778 2 3 -22.364923409608 3249816 C1=CC=C(C=C1)N2C=NC(=N2)OCC(=O)NN 1 0.239 5 2 0 -1.82238043157915 3249679 CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCN4CCOCC4 1 3.041 4 5 0 -24.645011378367 3249614 CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3)C4=CN=CC=C4 1 3.041 4 2 -7.49534561461524 3249479 C1=COC(=C1)C(=O)OC2=CC(=C(C=C2)OC(=O)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Br 1 5.335 0 8 0 -12.0342059494456 3249369 CC(=O)N1CCN=C1SCC2=CC=C(C=C2)Cl 1 2.892 2 1 -8.59700711855531 3249350 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCN(CC4)C 1 0.798 4 5 0 -3.68995981543145 3249260 C1=COC(=C1)C2=CC(=NC(=N2)NCC3=CC=C(C=C3)Cl)C(F)(F)F 1 4.869 3 1 7.90764522035023 3249236 CC1=C(C(=O)NC(=C1Cl)C)S(=O)(=O)C2=CC=CC=C2 1 1.811 1 3 0 -9.65284955395376 3249198 CC1CCCCC1NC(=O)COC2=C3C=CSC3=NC=N2 1 2.872 3 2 -13.2552761678124 3249189 CCC1NC(=O)C2=CC=CC=C2N1C3=CC(=CC=C3)Cl 1 4.09 2 1 -0.995689576364032 3249111 CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NCCCN4CCOCC4 1 0.56 5 3 0 -15.1006941891774 3249106 CCCNC(=O)CN1C2=CC=CC=C2C3=NC(=O)C=C(N31)C 1 1.544 4 2 0 -14.3022183374917 3248930 CN1C=CC=C1C(=O)C(=O)NC2=CC=C(C=C2)C(=O)OC 1 1.946 2 4 0 -7.62438311405319 3248901 CCN1C(=C(C=N1)C=NNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C 1 3.709 4 1 -4.06382322901294 3248848 C1COC2=C(O1)C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.812 2 7 0 -18.3921244045858 3248847 C1=CC=C2C(=C1)N=CC(=N2)SCC3=CN4C=CC=CC4=N3 1 2.914 4 0 -1.49480045069935 3248798 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4 1 2.975 9 2 0 -25.7947637424276 3248794 CCN(CCCCCCN)C1=CC2=C(C=C1)C(=O)NNC2=O 1 1.278 4 2 0 -3.2937258937158 3248789 C1CC(OC1)CSC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-] 1 2.872 3 5 0 -14.8216367276603 3248786 CCC(C)NC(=O)C1C2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F 1 3.231 2 2 -12.4929325705915 3248783 CCC(C)NC(=O)C1C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3 1 3.026 2 2 -14.1880374978487 3248765 CCCCC1(NC2=C(SC(=C2C(=O)N1)C)C(=O)OCC)C 1 2.633 2 3 -6.79915781040489 3248763 CCC(C)NC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 3.547 1 2 -11.7169551073003 3248741 CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)F 1 4.656 4 1 -15.4302631004824 3248736 CC1=C(C(=CC=C1)C)NC2=NN=C(S2)SC(C)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.486 6 2 0 -22.4875229452125 3248713 CC(C)CCC(C(=O)NC(C)C1=CC=CC=C1)C(=O)NC(C)C2=CC=CC=C2 1 4.767 2 2 -9.02973981252273 3248645 C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)OC(F)F 1 3.911 4 4 0 -4.75387364075877 3248630 CN(CC1=C(C(=CC=C1)Cl)Cl)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-] 1 4.833 3 4 0 -12.173485285731 3248551 C1C(N(N=C1C2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3)C4=CC=CO4 1 3.764 2 3 -7.8190752723878 3248530 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CN=C(C=C3)Cl 1 2.809 3 4 0 -8.98815976276478 3248529 CCC(CC)NC(=O)COC(=O)CCC(=O)C1=CC=CS1 1 2.427 1 4 -18.3764499147034 3248492 CCC(C1=CC=CC=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C 1 2.775 3 3 -11.4100354096558 3248440 CC1CC(CN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3)C 1 3.493 2 3 -17.5189803216872 3248332 CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3 1 3.35 4 2 0.943595515798522 3248331 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CN=C(C=C3)Cl 1 2.698 2 2 -9.49111444764179 3248327 CC1CC(CN(C1)C2=NC=NC3=C2NC4=C3C(=CC=C4)OC)C 1 3.593 4 1 0.731943018740174 3248315 CC1CCCC(=NNC(=O)CNC2=CC=C(C=C2)OC)C1 1 2.304 3 2 -11.7774049575418 3248314 CC1CCCC(N1C(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl)C 1 4.036 1 3 -8.84457756834018 3248311 C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC5=CC=CC=C5N4 1 3.563 3 1 -1.06917150204301 3248285 CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=COCCO3 1 2.415 2 3 -1.32208802254812 3248205 CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC 1 0.936 3 7 0 -25.8440185202752 3248065 C1=CC=C(C=C1)C2=CN(C=N2)C3=CC=C(C=C3)Br 1 4.194 2 0 4.93552490049395 3248064 C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=C(C=C(C=C2)O)O 1 -0.232 1 7 0 -13.0889080515949 3248048 CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C)C4=CC=CS4)Cl 1 4.042 3 2 -1.10975318562311 3248024 C1CN(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=CC=C3 1 3.821 3 3 -14.7631856848784 3248022 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(O2)CNC(=O)C3=C(C=CC=C3Cl)F)OC 1 3.074 4 5 0 -28.3839466552155 3248001 C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=CC=CC=C3[N+](=O)[O-])N4CCCC4 1 2.391 8 2 0 -3.38734637095332 3247993 C1=CSC(=N1)NC(=O)C2=CC=C(S2)Cl 1 2.024 2 1 -1.11866896483747 3247981 COC1=CC=CC(=C1)C2C3=C(C(=O)N2CC4=CC=CO4)OC5=CC=CC=C5C3=O 1 3.106 1 5 -6.44117177195459 3247973 COC1=CC=CC(=C1)C(=O)NN=C2C(=CC3=CC=CC=C3O2)C(=O)N 1 1.939 3 4 0 -7.95339382167927 3247970 CC(C1=NC2=CC=CC=C2S1)OC(=O)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O 1 4.968 1 4 -1.83867164506446 3247968 CCC(=O)NCCC1=CC2=C(C=C(C=C2)C)NC1=O 1 1.814 2 2 0 -11.8414721383494 3247935 CN1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-] 1 2.59 5 4 0 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CCCC(=O)NC1=C(C=CC(=C1)C2=CN3C=CC=NC3=N2)OC 1 2.359 4 2 -10.3611968117458 3245969 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C 1 2.433 3 5 0 -8.20243569375149 3245968 CC(C)CCNC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3O2 1 2.7 3 2 -14.2305389076492 3245967 CCOC1=CC=CC=C1CNC(=O)NC2=CC=CS2 1 2.648 2 2 -10.196505476811 3245966 CCOCCCN1CC(CC1=O)C(=O)NCCC2=CC=CC=C2 1 0.918 2 3 0 -21.1239787593618 3245965 CC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 2.303 3 4 0 -16.4116191197462 3245964 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=CC=CS3 1 3.572 2 2 -14.0064899348036 3245963 CC1CC(CN(C1)CCCNC(=O)C2CCCN(C2)C3=NN=C(S3)N4CCCC4=O)C 1 1.541 6 2 0 -21.0881244495765 3245962 COC1=CC=C(C=C1)N2CCN(CC2)CCNS(=O)(=O)C3=CC=CC4=NSN=C43 1 2.62 5 3 0 -3.17615763149405 3245961 CN1C2=C(C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=N1)C5=CC(=CC=C5)OC 1 4.485 4 2 1.91698273581933 3245954 CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.002 3 5 0 -31.0288969127715 3245953 C1=CC=C2C(=C1)C(=O)N(C(=O)N2CC3=CC=C(C=C3)Cl)CC4=CC=CO4 1 3.989 2 3 -1.36339981648235 3245952 COC(=O)C1=CC(=O)N=C2N1N=C(S2)C3=CC=CC=C3 1 2.25 3 3 -6.78280413556165 3245951 C1CN(CCC12OCCO2)C(=O)CCCC3=NS(=O)(=O)C4=CC=CC=C4N3 1 0.682 3 5 0 -16.3318958161863 3245950 CCCCNC(=O)OC(C)CNC(=O)OC1=CC=CC(=C1)C 1 3.621 2 4 -9.55098187005754 3245949 CC1=CC(=CC=C1)N(C)C(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 2.502 3 4 0 -10.3929826117254 3245948 COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=NC4=CC=CC=C4S3 1 3.09 4 3 0 -3.4492182262652 3245947 CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)OC 1 2.049 4 4 0 -23.7371980108364 3245946 CCCN1C(NC2=CC=CC=C2C1=O)C3=C(C=C(C=C3)OC)O 1 3.268 2 3 -5.26826418383618 3245945 CC1=C(C=CC(=C1)OCN2C=CC(=N2)C(=O)O)Cl 1 3.303 2 3 -4.05296463669588 3245944 CCN1C=C(C(=N1)C)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)O 1 2.76 5 2 0 -13.2615915252797 3245943 CCOC(=O)C1=CC=CC=C1NC(=O)CC(C)CC(=O)O 1 1.707 1 5 0 -15.8020144382226 3245942 CCCOC1=CC=CC=C1C2CC(=O)NC3=CC4=C(C=C23)OCO4 1 3.183 1 4 -9.37751103113111 3245941 C1CSC2=CC=CC=C2N(C1=O)CC(=O)NC3=CC=C(C=C3)F 1 2.474 2 2 -7.12665851671709 3245939 CCOC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=C(NN=C3C)C)OCC 1 2.203 4 5 0 -22.9448602475572 3245937 COC1=CC=CC(=C1O)C2NC3=CC=CC=C3C(=O)N2O 1 2.202 2 4 -3.51162440141425 3245936 CC1=NN(C(=O)C2=CC3=C(N12)C=CO3)C(C)C(=O)N4CCC5=CC=CC=C5C4 1 2.678 4 3 0 -12.7165943507369 3245934 C1CC(CN(C1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)NCC5=CC=CC=N5 1 3.594 6 1 0 -4.60613895238807 3245933 CC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C 1 1.707 3 4 0 -11.755452163532 3245931 CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C 1 -0.452 3 5 0 -17.1434983980393 3245929 C1=COC(=C1)C(=O)NCC2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Cl 1 2.587 3 4 0 -14.303213819514 3245927 CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCC3 1 4.027 3 2 -27.9383940462815 3245926 COC1=CC=CC(=C1)C2=NOC(C2)C(=O)NCC3=CC=CC=C3 1 2.372 2 3 -5.52325155896448 3245925 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NCC3=CC=CO3)Br 1 2.322 2 4 -13.6703041648924 3245924 COC1=CC=C(C=C1)C2=NOC(=N2)N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 2.191 6 3 0 0.360675741733431 3245923 CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)C3=NOC(=C3)C4=CC=CO4 1 4.028 4 3 0 -4.58586038541556 3245922 CCC(C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=C(NC(=O)NC4=O)C 1 1.493 3 4 0 -16.0725662576759 3245921 CCOCC(=O)NC1=C(OC2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)OC)OC 1 2.382 2 6 0 -7.05320021976448 3245920 CC1=CC=C(C=C1)S(=O)(=O)NCCN2C(=CC3=CC=CC=C32)C 1 3.52 2 2 -9.04336024903549 3245919 C1C(C(CS1(=O)=O)NC2=CC=C(C=C2)Cl)NCC3=CC=CC=C3 1 2.963 2 2 -2.53790774703733 3245918 CC1=CC2=C(C=C1)N(C3=C2CCCC3=NO)CC(CN4C(=NC5=CC=CC=C54)C)O 1 4.815 4 2 6.57940977253438 3245917 CN(CCC1=CC=CC=C1)CCNC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.663 3 2 -15.3558288087595 3245916 C1CN(CCN1CCCNC(=O)NC2=CC=C(C=C2)F)C3=CC=CC=C3F 1 3.187 4 1 -2.14924230967339 3245915 CCCCN(C)C(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCCC3)C 1 4.144 2 4 -9.33834603320213 3245914 CC(CP(=O)(O)O)NC(=O)CC1=CC=CC=C1 1 0.686 1 4 0 -10.6829655742908 3245913 COC1=CC=C(C=C1)C2N(CCN2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4 1 3.891 2 3 -6.21506645939402 3245912 CC1(C(=[N+](C2(N1O)CCCCCC2=NO)[O-])C3=CC=CS3)C 1 2.286 3 3 3.22673178656504 3245910 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=C(C(=CC=C3)OC)OC)N4CCN(CC4)C5=NC=CC=N5 1 3.087 6 3 0 -3.43345537941982 3245908 CCOC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C 1 1.418 3 5 0 -13.6205140011082 3245907 CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)F)C 1 2.619 2 2 -6.63309463812908 3245904 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 4.378 4 2 -2.5021720145961 3245903 CC1=CC=CC=C1NC(=O)CC2C(=O)N=C(S2)NC3CCCCC3 1 3.67 3 2 -14.165498377687 3245902 COC1=CC(=C(C=C1)OC)C=C2C(=O)N3C(=NC(=N3)C4=CC=CS4)S2 1 3.787 3 3 -9.38396332996409 3245901 CC(=O)N1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3OC 1 3.039 3 3 -12.7496694146238 3245900 C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)N3CCC4(CC3)OCCO4 1 3.021 2 3 -12.8397858596628 3245899 CCC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 2.976 2 4 -0.850121051731696 3245898 CC(C)CN1C(=O)C(NC1=O)(C(F)(F)F)NC(=O)C2=CC=CS2 1 2.446 3 3 -9.95299581586648 3245897 CC1=CC=C(C=C1)C2=NC(=NS2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 1 3.697 7 1 0 -15.4606007017696 3245896 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NC3=NC=C(C=C3)C 1 2.006 3 3 -6.89274364750398 3245895 C1CCCN(CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCOCC3 1 -0.159 4 4 0 -17.8830741706464 3245893 CS(=O)(=O)N1CCCC(C1)C(=O)N2CCC3(CC2)OCCO3 1 -0.544 2 5 0 -18.0911748582471 3245892 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2C3C=CC(C2C(=O)O)O3 1 1.591 1 4 0 1.62630585077565 3245891 CN1C(=CC2=C1N=C3C=CC=CN3C2=O)C(=O)N4CCC5=CC=CC=C5C4 1 2.125 4 2 -17.8764101042169 3245890 C1CCC(CC1)CC(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)F 1 3.38 3 3 -7.30597874607502 3245889 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N3CCCC3)CCC4=CCCCC4 1 4.146 3 4 0 -24.8884356899561 3245888 COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCCN3CCCC3)C4=CNC5=CC=CC=C54 1 2.653 4 3 0 -11.1994719447461 3245887 CCCC(=O)N(C1CS(=O)(=O)C=C1)C2=CC=C(C=C2)OCC 1 1.992 1 4 0 -8.30349862866417 3245886 C1CCC(CC1)NC(=O)C2(CCCCC2)NC(=O)C3=CC4=C(C=C3)OCO4 1 3.652 2 4 -16.1607549649356 3245885 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=CN4C3=NC5=C(C4=O)C=C(C=C5)Br 1 2.478 5 2 0 -7.93243372146977 3245884 CC1=CC(=NC2=NN3C(=CC(=NC3=C12)C(F)(F)F)C4CC4)C 1 3.664 4 0 -3.63894064701734 3245883 CN1C=CC=C1CNC(=O)NC2=C(C=C(C=C2)OC)OC 1 1.874 3 3 0 -12.6148142271126 3245882 CC1CCC2=C(C1)SC=C2C(=O)NCC3CCCO3 1 2.693 1 2 -15.0105853021608 3245881 CC1=CC(=NN1CCC2=NC3=C4C=C(C(=CC4=NC(=S)N3N2)OC)OC)C 1 1.804 6 2 0 -8.03837615884949 3245880 CN(C)C1=CC=C(C=C1)C2N(CCN2S(=O)(=O)C3=CC=CC=C3)C(=O)N4CCOCC4 1 1.998 4 4 0 -18.649370336724 3245879 CC1=NN2C(=C(SC2=N1)C(C3=CC(=CC=C3)F)N4CCC(CC4)O)O 1 2.118 4 2 -0.918020786439246 3245877 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3=CC=CS3 1 3.367 1 4 -0.729368921135051 3245876 CCOC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4)OCC 1 2.312 5 4 0 -12.672519474416 3245875 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)OC 1 1.889 2 5 0 -24.1919174529961 3245874 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O 1 2.707 1 4 -12.1824181006993 3245871 CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)N4C=C(C=CC4=N3)Cl 1 1.542 5 3 0 -27.1685994317606 3245870 CCOC1=C(C=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OCC)C)C(=O)C2)OC 1 3.896 1 5 -16.6158646511374 3245869 CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CN4C 1 3.64 5 2 0 -10.92589712086 3245867 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCCN2CCCC2 1 1.756 2 3 0 -14.4555236921446 3245866 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=O 1 2.578 4 3 0 -8.40369641642416 3245865 CC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 1.827 3 5 0 -11.1459494297562 3245863 CC1=NN=C(S1)NC(=O)NCN2C(=O)C3C4CC(C3C2=O)C=C4 1 -0.408 5 3 0 -12.0356375019335 3245862 CC1=C(C=CC(=C1)S(=O)(=O)N2CCN=C2C)Br 1 2.044 2 2 -9.27635970517047 3245861 C1CCC(CC1)N2C(CCC2=O)C(=O)NCC3=CC=CS3 1 2.212 2 2 -15.336587994488 3245860 CCOC1=C(C=C(C=C1)C(=O)NC2=C3CSCC3=NN2C(C)(C)C)OCC 1 3.502 3 3 -12.6936138934604 3245859 CC1=CC(=NO1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=C(C=C4)OC)OC 1 2.295 4 6 0 -20.9572183177592 3245858 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCC4=CC=CC=C43)OC1=O 1 1.622 3 5 0 -15.4301271135666 3245857 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCS(=O)(=O)C3=CC=CS3 1 2.491 2 3 -9.76676456416925 3245855 CCC1CCCCN1CCCNC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.071 4 3 0 -19.9486990460264 3245854 C1COCCN1C2=CC=C(C=C2)NC(=O)CCC(=O)O 1 0.645 2 4 0 -10.4121559782093 3245853 C1CCCC(CC1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3 1 3.434 3 2 -7.45990570861683 3245851 CCOC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43 1 2.391 3 5 0 -14.8492382900542 3245848 CCC1CCCCN1CCNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 2.099 3 3 -16.5697142004469 3245846 CC1=CC(=CC(=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=NSN=C32)C 1 2.683 4 3 0 -9.83512594949827 3245844 CC1CCC2=C(C1)C(=NC(=N2)S(=O)(=O)C)C(F)(F)F 1 3.241 2 2 -6.12596670633115 3245843 CC1CCCCN1C(=O)C2=CC3=C(O2)N=C4C=C(C=CC4=C3)C 1 4.005 2 2 -2.19335510733193 3245841 COC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=C(C(=CC=C3)OC)OC 1 2.151 1 6 0 -5.0979552149935 3245840 CCS(=O)(=O)N1CCCC(C1)C(=O)NCCCOC(C)C 1 0.192 2 4 0 -27.1155359582537 3245838 CC1(CC(=O)C2=C(O1)C=CC(=C2)OCC(=O)NCC3=CN=CC=C3)C 1 1.546 2 4 0 -18.2843196126313 3245836 COC1=CC=CC(=C1)N2C3=C(C(=O)N(C=N3)CC4=CC=CC=C4F)N=N2 1 3.041 5 2 0 -3.68961215609218 3245835 C1=COC(=C1)CNC(=O)CSC2=NC=NC3=C2N=NN3C4=CC=C(C=C4)F 1 2.749 6 2 0 -16.8279571099489 3245834 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CN2 1 -0.366 3 4 0 -10.5697632808857 3245833 CCOC(=O)CN1C2=C(CCCC2)C(=CC1=O)C3=CC=CC=C3OC 1 2.968 1 4 -11.7342138480662 3245832 C1CC1C2=CC(=NO2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl 1 4.007 2 2 -8.52072988547942 3245831 CC1=NC(=NC2=C1CC(C2)C(=C)C)N 1 1.936 3 0 0 -0.353777391107765 3245830 C1CC1C(=O)N2CCC3=CC(=CC(=C32)S(=O)(=O)CCC(=O)NCC4=CC=CO4)Br 1 2.336 2 5 0 -27.6267351243544 3245829 CC1(CN=C(S1)NC2=CC=CC=C2C(F)(F)F)C 1 3.755 2 0 -2.7019334602183 3245828 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4OC 1 2.383 4 4 0 -16.2861191329319 3245827 C1=CC=C(C=C1)NC(=O)N(C2=CC=C(C=C2)Cl)O 1 3.2 2 2 -0.329537529705211 3245826 COC1=CC(=C(C=C1)OC)C2=CC(=NO2)C(=O)NCCN3CCOCC3 1 1.524 3 5 0 -11.1713562665501 3245825 C1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)NCC2=CC=CO2 1 1.135 2 4 0 -21.6669820819429 3245824 COCC(=O)NC1=C(OC2=CC=CC=C21)C(=O)NC3=CC(=CC=C3)OC 1 2.05 2 5 0 -1.60237104809985 3245823 CN(C)C1=NC=CC(=C1C#N)NC2=CC=CC=C2 1 2.189 4 0 -5.89790599324268 3245822 CC1=CC2=C(C=C1)N=C3C=CC(=NN3C2=O)N4CCN(CC4)C 1 1.562 5 1 0 -1.44259922814134 3245821 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=CN4C3=NC5=CC=CC=C5C4=O 1 1.729 5 2 0 -11.49187395944 3245820 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N(CC(C)C)CC(C)C)C(=O)O 1 4.041 1 5 -8.32397196510674 3245819 CCC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC=C(C=C2)OC 1 2.811 2 3 -7.30809374441026 3245818 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=C(C=C3)F)C)CC(=O)N4CCN(CC4)C5=NC=CC=N5 1 1.456 7 2 0 -7.18493396042253 3245816 CCCN1C(=CC(=O)C2=C1C=CC(=C2)NC(=O)C3=CC=CC=N3)C 1 3.015 3 2 -9.18085041235405 3245815 COC1=CC=C(C=C1)N2C(=NNC2=S)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.672 4 5 0 -15.382154413858 3245814 C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)N(C2=O)CC4=CN=CC=C4 1 2.813 2 2 -2.41248401109653 3245812 CCSCCC(C(=O)O)NC1=CC(=O)CC(C1)(C)C 1 1.491 1 3 0 -26.4971645272915 3245811 CC1=CC=CC=C1CSC2=NC=C(C(=N2)N)C#N 1 2.855 4 0 -8.90883134552644 3245809 C1CN(CCC12OCCO2)C(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4 1 0.908 2 4 0 -16.6486586578652 3245808 C1CCCN(CCC1)C(=O)NC2=CC=C(C=C2)Br 1 3.73 2 1 -5.03724502112716 3245807 C1=CC=C(C=C1)C(C(=O)NC2=CC=CC=N2)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 2.612 5 3 0 -13.3065275981564 3245806 CC1=CC(=NC(=C1C#N)SCS(=O)CC2=CC=C(C=C2)Cl)C 1 4.14 2 1 -1.64800995466946 3245803 CCOC(=O)C1=CC2=CC3=C(N=C2C=C1)SCC3 1 3.376 1 2 -4.43683060389786 3245802 C1=CC=C(C=C1)CN2C(=NC3=C2N=CC=C3)CCC(=O)O 1 2.289 3 2 -9.482285556835 3245801 CC(C)C(O)P(=O)(C1=CC=C(C=C1)N(C)C)OCC2=CC=CC=C2 1 3.694 1 3 -6.51356341728047 3245800 CSC1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 1 3.678 0 2 4.83845894696095 3245799 CSC1=NCCN1C(=O)C2=CC(=CC=C2)Br 1 3.057 2 1 -5.75509856553172 3245798 CN1CCN(CC1)CCCNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4 1 1.102 7 1 0 -4.82403584123182 3245797 COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)NCC4CCCO4)N=N2 1 2.12 6 3 0 -20.3822367026356 3245795 CCN1C(=C(SC1=S)C(=O)NCC2=CC=CO2)N 1 1.758 3 2 0 -10.783665338939 3245794 COC1=CC=CC=C1CNC(=O)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.891 4 4 0 -24.7850896149645 3245793 CC1=CC=CC=C1NC(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)OC 1 3.246 4 2 -7.0157504353302 3245792 C1CN(CCC1C(=O)NC2=NC=CS2)S(=O)(=O)C3=CN=CN3 1 -0.788 5 3 0 -7.19634262673284 3245791 CCC(C)NC(=O)C1C(N(C(=O)C2=CC(=C(C=C12)OC)OC)C)C3=CC=C(C=C3)OC 1 3.029 2 5 0 -12.0276671635724 3245790 CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)C 1 2.088 4 5 0 -12.9339113698768 3245788 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3=CN=CC=C3 1 1.539 3 2 0 -8.11121226069962 3245787 CCN(CCNC(=O)C1CCCN(C1)S(=O)(=O)CC)C2=CC=CC=C2 1 1.693 3 3 0 -23.274260878009 3245786 CC1=C(C=CC=C1Cl)NC(=O)C2=C(N=CO2)C 1 2.236 2 2 -11.2861292872137 3245784 CC(C(=O)NCCCN1CCOCC1)N2C=CC=C2C(=O)C3=CC=CC=C3 1 2.258 3 3 -11.7786780957795 3245783 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)C3=CC=C(C=C3)C(C)C 1 2.872 2 4 -1.17535981939531 3245782 C1CC(OC1)CN2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)N4CCN(CC4)C5=CC=CC=C5 1 2.23 4 4 0 -11.8282798217546 3245781 C1CCN(CC1)CCCNC(=O)C2CCC(=O)N2CCC3=CC=CC=C3 1 2.053 3 2 -12.7655089204483 3245780 CCCCNC(=O)C1CC(=O)N(C1)CCC(C)C 1 1.642 2 2 0 -20.8706780077346 3245779 CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)CCC(=O)NCCN(C)C)C 1 3.221 3 3 -10.7026194287459 3245776 CCOC(=O)NC1=C(C(=O)C2=CC=CC=C2O1)CN3CCOCC3 1 1.903 2 5 0 -5.13106916101777 3245775 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCN3C(=O)C4=CC=CC=C4NC3=O 1 2.207 3 5 0 -19.5777500240475 3245773 COCC(=O)OCN1C(=O)C2=CC=CC=C2N=N1 1 1.39 3 4 0 -22.0919058981019 3245772 C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NCC4=CC=CO4 1 2.785 3 2 -12.4333772093763 3245768 CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C(=O)OCC 1 0.472 3 5 0 -22.3044557553172 3245767 CC(C)C1=CC(=NO1)C(=O)NC2=C(C3=C(S2)CCC3)C#N 1 3.364 3 2 -24.0151259977236 3245765 C1=CC=C(C=C1)CCNC(=O)C2=NOC(=C2)C3=CC=CO3 1 3.03 2 3 -7.02136061079078 3245764 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CCCCC3 1 1.836 3 4 0 -21.005823264587 3245763 COC(=O)C1=C(SC2=CC=CC=C21)C(=O)OC 1 2.693 0 4 -2.84159059332258 3245761 CC12CCC3=CC=CC=C3C1(N(C(=O)O2)C)C 1 2.623 1 2 -2.60885916046616 3245759 CC1=NN(C(=C1)C2=CC=CO2)CC(=O)O 1 1.448 2 3 0 -5.29949873111189 3245758 CC1=CC(=NO1)C(=O)N(C2CCCCC2)C3CCCCC3 1 3.988 2 2 -10.0013441998221 3245757 CC(C)(C)OC(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O 1 2.331 2 5 0 -16.55401950762 3245756 CCN1C2=C(C(=O)N(C(=N2)SC)C3=CC=CC=C3)SC1=S 1 4.669 3 1 -8.56481119918637 3245750 C1CC(N(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=CC=C(C=C4)C(F)(F)F 1 3.308 3 3 -9.95528079189809 3245749 CC1=CC(=CC=C1)NC2=C(C=C3C=CC(=O)C=C3O2)C(=O)N 1 2.131 2 3 1.44170731794967 3245747 C1=COC(=C1)C2=CN=NN2C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F 1 3.784 4 2 -3.81824321992463 3245746 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC(=CC(=C3)OC)OC 1 1.849 4 5 0 -8.29737643413384 3245745 CCOC(=O)C1=C(C(=C(N1C)C)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C 1 1.947 3 5 0 -7.50021168953164 3245744 CC1=NC(=CC=C1)NC(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CN=CC=C4 1 1.893 4 4 0 -5.41428072229542 3245743 CC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=N4)SC=C3 1 3.398 4 2 -27.4102048637507 3245741 CCCC(=O)CN1C2=CC=CC=C2C3(C1=O)OCCO3 1 1.43 1 4 0 -12.1064813613256 3245740 CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)NC2CCCCC2)C 1 3.672 2 3 -9.31593212452439 3245739 COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCC4(CC3)OCCO4 1 1.787 2 6 0 -10.6134927880323 3245738 CCC(C)(C(=O)NC1CCCC1)N(C2=CC=CC=C2)C(=O)C3=CC=CC=N3 1 3.88 3 2 -15.267475667236 3245735 CC(C1=CC=CC=C1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br 1 4.439 2 2 -6.37739811000235 3245734 CCOC(=O)C1=C(N(N=N1)CC(=O)NC2=C(C=CC(=C2)Cl)C)C(=O)OCC 1 2.927 4 5 0 -17.4905591167992 3245733 COC1=CC=C(C=C1)NC(=O)CCN2C=CC=C2 1 1.997 2 2 0 -6.84909964271612 3245732 C1CN(C2=CC=CC=C21)C(=O)CN3C=CC=C3 1 2.046 2 1 -10.399344572715 3245731 CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCCC(=O)O)C 1 3.339 1 4 -11.4932348496444 3245730 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC2=C(C(=O)C2=O)N3CCCC3 1 0.776 3 5 0 -11.4286734996007 3245729 COC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F)Cl 1 3.439 3 2 -1.21145023834439 3245728 CCCCN1CC(CC1=O)C(=O)NC2CCCCC2 1 1.92 2 2 0 -15.5576885244397 3245727 CC1CCN(CC1)CCCNC(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)O 1 -0.172 3 3 0 -13.1207749910713 3245725 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCN(C)CC2=CC=CC=C2 1 1.78 3 3 0 -20.9325062123606 3245724 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC=NC4=CC=CC=C43 1 3.364 4 1 -4.20399345521439 3245723 CCOC(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)C 1 1.107 1 4 0 -11.6360714653718 3245722 CCOCCOC(=O)C1=C(NC2=C(S1)C=C(C=C2)C)C 1 2.704 1 3 -13.4882058623158 3245721 C1=CC=NC(=C1)CNC(=O)C2=CN=C3N(C2=O)C=CS3 1 -0.303 4 2 0 -17.7939828890461 3245720 C1CC(OC1)CNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4 1 1.491 6 4 0 -29.5881176780826 3245719 C1CCN(CC1)C2(CCN(CC2)C(=O)NC3=CC=CC=C3C(F)(F)F)C(=O)N 1 2.045 4 2 -7.9380365342293 3245718 C1=CC(=CC=C1CN2C=CC(=N2)NC(=O)C3=CC=NC=C3)F 1 2.442 4 1 -8.84902754419191 3245716 C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.616 3 3 -16.2023432075867 3245715 CCCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)OC 1 1.935 2 4 0 -20.6161466256471 3245714 C1CC(OC1)CNC(=O)C2CCC(=O)N2CC3=CC=CC=C3Cl 1 1.637 2 3 0 -15.4932985721286 3245713 CCOC(=O)C1=CC=C(C=C1)N2C3=C(C(=O)N=C(N3)C)SC2=S 1 3.212 3 3 -10.9096715713508 3245712 C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CC(=O)NCC(=O)NCC4=CC=CC=N4 1 0.893 5 3 0 -32.058566146432 3245711 C1CSC(N1C(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC=CO3 1 4.097 2 2 -13.1532425308408 3245710 C1COCCN1C(C2=CC3=C(C=C2)OCO3)P(=O)(N4CCOCC4)N5CCOCC5 1 -0.262 3 6 0 -4.13207270473972 3245709 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CO 1 1.168 1 3 0 -9.58649286761159 3245708 COC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CN3 1 0.206 4 4 0 -12.4184139127746 3245707 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COC(=O)C1=CC2=C(C=C1)C(=O)SC(=N2)N3CCC(CC3)C(=O)N 1 1.566 3 4 0 -7.53400299024978 3245694 CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=CS3 1 2.854 4 4 0 -15.6301720370421 3245693 CCOC(=O)COC1=CC=C(C=C1)C2NC(CS2)C(=O)O 1 -1.049 1 5 0 -19.7568190838848 3245692 C1=CC=C(C=C1)CCNC2=NC3=CC=CC=C3N4C2=NN=N4 1 2.015 6 0 -6.87572338886604 3245691 CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.987 3 2 -0.584413560576733 3245690 CC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C4=CC5=C(C=C4)OCCO5 1 3.37 3 3 -8.92093479661121 3245689 CC(COC)NC(=O)C1=NOC(=C1)C2=CC(=C(C=C2)OC)OC 1 1.944 2 5 0 -12.6809402962576 3245687 CC1=CC=CC=C1N2C(=C3CSCC3=N2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C 1 3.086 4 3 0 -12.9948129685233 3245686 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCCCN2CCOCC2)C 1 1.147 3 4 0 -15.5464935606495 3245684 C1COCCN1CCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC=CC=C4F 1 2.207 3 3 -16.1506797709714 3245683 C1CCN(CC1)C(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CS3 1 2.602 2 3 -17.3125214161159 3245681 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C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=O 1 2.856 4 3 0 -4.73063805785244 3245179 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)O 1 0.976 1 4 0 -5.22648400875377 3245180 C1CN(CCN1CCC(=O)NC2=CC=CC=C2F)C3=CC=CC=C3F 1 3.245 3 1 -1.25507225941862 3245181 C1CCC(CC1)NC(=O)C2=NOC(=C2)C3=CC=CO3 1 2.984 2 3 -5.66384888025336 3245183 COC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)N3CCC4(CC3)OCCO4 1 1.947 2 6 0 -17.1789531536042 3245184 COC1=CC=C(C=C1)C2=CC(=NO2)CCCC(=O)NCCC3=C(C=CC(=C3)OC)OC 1 4.111 2 5 0 -15.0121678585127 3245185 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.319 4 5 0 -12.3329338823163 3245186 C1CCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 1.536 3 2 0 -10.8974649750848 3245187 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)C3=CC(=C(C=C3)C)C 1 2.651 2 4 0.423199558971655 3245188 C1CN(CCN1CCNC(=O)CNC(=O)C2=CC=CS2)CC3=CC=CC=C3 1 1.73 4 2 0 -12.2173369727293 3245191 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Br 1 2.149 2 5 0 -17.1827028472666 3245224 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 1.55 4 4 0 -10.8163426282254 3245222 CCOC1=CC=CC=C1NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.104 3 5 0 -21.8300219791578 3245220 CCOC(=O)CNC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C 1 0.358 4 6 0 -34.347692974511 3245219 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)N(C)CCC3=CC=CC=N3)C(=O)N(C1=O)C 1 0.255 5 5 0 -23.9880183949857 3245218 CC1=CC=C(C=C1)CCNC(=O)C2CCC(=O)N2CC3=CN=CC=C3 1 1.854 3 2 0 -13.9982471948461 3245215 CCOC(=O)C1CCN(CC1)C(=O)CC2=C(NC3=CC=CC=C32)C(=O)O 1 2.169 2 5 0 -12.8761595275551 3245213 CCOC(=O)C1CCN(CC1)C(C2=CC=C(C=C2)OC)C(=O)NC3CCCCC3 1 3.617 2 4 -13.0755668691684 3245210 CC(C(=O)OC)SC1=NC2=C(C(=O)N1C3=CC=CC=C3)SCC2 1 2.72 2 3 -13.8583876675846 3245208 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NC3=NC=CC(=C3)C 1 2.006 3 3 -3.7916597561424 3245207 C1C(ON=C1C2=CC=C(C=C2)F)C(=O)NCC3=CN=CC=C3 1 1.444 3 2 0 -9.05291118773597 3245206 CCCN1CC2=CC=CC(=C2C1=O)C(=O)NCCCOC(C)C 1 1.735 2 3 0 -17.2288680507275 3245205 COC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CCC3=CC=CC=C3)C4CCCCC4)OC 1 3.98 2 4 -11.6915625089749 3245202 C1CC(=O)N(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCOCC3 1 -1.955 4 5 0 -31.8621608116663 3245199 COCCCNC(=O)C1CCC(=O)N1CC2=CC=CC=C2Cl 1 1.209 2 3 0 -16.0591641934078 3245198 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C=CC=C3C(=O)C4=CC=CC=C4 1 3.925 3 2 -5.11499521191234 3245197 COC1=CC(=CC(=C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)OC 1 3.006 2 5 0 -12.1427188565277 3245196 C1CC(OC1)CNC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F 1 0.896 4 4 0 -30.3801708068702 3245195 C1CCCN(CC1)CCNC(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3 1 3.397 3 2 -13.8857423214899 3245193 CCOC(=O)CCN1N=C(N=N1)N 1 -3.7e-002 5 2 0 -9.36207103907427 3245192 CCOC(=O)C1=C(N(N=C1)CCOC(=O)C2=CC=CS2)NC(=O)C3=CC=CS3 1 3.004 3 5 0 -14.1459845733361 3245166 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCCC2=CC=CC=C2 1 1.827 2 3 0 -24.403742719955 3245163 CCOCCCNC(=O)C1CCCN(C1)S(=O)(=O)CC 1 -0.186 2 4 0 -27.1469407455875 3245162 CCOC(=O)CCNC(=O)CNC(=O)OCC1=CC=CC=C1 1 0.964 2 5 0 -18.681358309578 3245161 CC1CC2=CC=CC=C2N1C(=O)C3=CN=C4C=CC=CN4C3=O 1 1.164 3 2 0 -14.6966418100192 3245160 CC1CN(CC(O1)C)C(=O)CCN2C3=CC=CC=C3OC2=O 1 1.502 2 4 0 -12.8080185751743 3245159 CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)C4=CC=C(O4)Br 1 3.031 2 2 -1.37174903467173 3245158 CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)NCCCN(C)CC3=CC=CC=C3 1 1.822 3 4 0 -3.54292826868371 3245155 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NCC3=CC=CO3 1 1.27 5 2 0 -25.7003114205047 3245154 CC1CCN(CC1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 1.102 4 4 0 -25.4292657473605 3245153 CC1=CC(=NC2=NC(=NN12)SC(C)C(=O)N3CCC4(CC3)OCCO4)C 1 1.683 5 3 0 -15.7637388163951 3245152 CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCOCC2 1 -4.9e-002 2 4 0 -23.8101220796514 3245093 CCCNC(=O)CCNC(=O)C1=CC=C(C=C1)C(C)(C)C 1 2.619 2 2 -14.7029911341819 3245094 C1CN(CCC1C(=O)NCC2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 -8.8e-002 3 4 0 -17.6846649216329 3245095 CC1=NN(C2=C1C3(C4=CC=CC=C4N(C3=O)CC(=O)OC)C(=C(O2)N)C#N)C5=CC=CC=C5 1 2.083 5 4 0 -8.71297354518343 3245096 C1CCC(CC1)N2CC(CC2=O)C(=O)N3CCC4(CC3)OCCO4 1 0.862 2 4 0 -17.3991879060275 3245097 COCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.074 5 3 0 -8.63135327536768 3245098 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCC(=O)O)OCC 1 1.486 2 6 0 -14.6079610678005 3245099 CC1=C(SC=C1)C2C(C3=CC=CC=C3C(=O)N2C)C(=O)O 1 2.583 1 3 -4.80631540833367 3245100 C1=CC(=CC(=C1)NS(=O)(=O)C2=CN=CN2)C(F)(F)F 1 1.271 3 2 0 5.975199783208 3245103 C1CCC(CC1)N2C=NC3=C2C=CC(=C3)C(=O)N4CCC5(CC4)OCCO5 1 2.888 3 3 -12.0811880751098 3245104 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCC2=CC=C(C=C2)Cl)C 1 3.506 2 3 -11.1891452596815 3245105 CC1=CC(=C(C(=C1)C)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCC(=O)NCCCOC)C 1 2.632 4 5 0 -21.8480145652054 3245106 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 1.351 4 4 0 -16.0762460417206 3245107 CCN(CC)CCCNC(=O)C1C2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)C 1 3.161 3 2 -12.7634879542864 3245109 CCN1CCN(CC1)C(=O)CCN2C(=O)COC3=C2C=C(C=C3)C 1 1.132 3 3 0 -9.83132588918824 3245110 CCCN(C1=NC(=CC(=N1)OC)C)S(=O)(=O)C2=CC=CC=C2 1 2.943 3 3 -11.3089919615875 3245111 C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=C(C=CC=C4F)F 1 1.406 2 3 0 -8.16158351803352 3245112 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N=C1SCC#N 1 4.818 4 2 -23.0329304540272 3245114 CCOC(=O)C1=CN(N=N1)CC(=O)NC2=CC=C(C=C2)C 1 1.767 4 3 0 -17.4936965694559 3245115 CCC(=O)NC1(C(=C(NC1=O)C)C#N)C(F)(F)F 1 0.312 3 2 0 -12.6864332929172 3245116 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4 1 2.503 3 5 0 -21.0075194049415 3245117 CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=CC=C3)OC(=O)N4CCOCC4 1 2.314 5 4 0 -14.7734264326988 3245151 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCC2CCCO2)C3=C(C(=CC=C3)OC)OC 1 2.473 2 6 0 -25.4776678979997 3245150 CCC(=O)NC1=C(OC2=CC=CC=C21)C(=O)NC3=CC(=CC=C3)OC 1 2.98 2 4 0.128481173643479 3245149 CC1=CC(=C(C=C1)C)CN2C(=O)C3=C(N=C4N3CCN4CC5=CC=CO5)N(C2=O)C 1 3.123 5 3 0 -7.20672193764649 3245148 COC1=C(C=C(C=C1)CCNC(=O)CCN2C=CC=C2)OC 1 2.309 2 3 -15.4382371754696 3245146 COC1=CC=CC(=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)O 1 2.653 2 3 -0.359385619229705 3245144 C1=CC=C(C=C1)CC(C(=O)O)N2C=CC=C2 1 2.651 1 2 -4.08141361950913 3245142 CC1=CC=C(C=C1)C2=C3C(=CN2N4C=NN=C4)N(C(=O)N(C3=O)C)C 1 1.767 6 2 0 -5.29064094190405 3245141 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC=NC4=C3N=NN4C5=CC=C(C=C5)F 1 3.819 7 1 0 -8.13125719481781 3245138 COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)NCC4=CC=CO4)N=N2 1 2.527 6 3 0 -17.9528003445583 3245137 CC1=CC(=NN1C2=NN=CN2N=CC3=CC=CC=C3F)C 1 2.446 6 0 -2.42906678225722 3245136 COC1=CC=CC(=C1)C2=NOC(C2)C(=O)NC3=CN=CC=C3 1 1.215 3 3 0 -2.05698963723678 3245135 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 1.825 4 4 0 -12.9154633513623 3245134 CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)NC3CCCC3 1 2.526 2 2 -12.0385099699153 3245132 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=CC=C2 1 1.97 2 3 0 -8.71335615307618 3245131 CCN1C(=C(SC1=S)C(=O)N2CCOCC2)N 1 0.886 3 2 0 -9.10177263345795 3245129 CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.649 3 4 0 -7.57254577582754 3245128 CCN(CC)CCNC(=O)C1CCC(=O)N(C1C2=CC=C(C=C2)F)C3=CC=C(C=C3)OC 1 3.403 3 3 -10.2785549959918 3245126 COC1=NC(=NC(=N1)N2CCCC2)N3C=C(N=N3)C4=CC=CC=C4 1 3.201 7 1 0 0.665440635185045 3245125 C1CN(CCN1C2=C(C=CC=N2)C(F)(F)F)C(=O)NC3=CC4=CC=CC=C4C=C3 1 4.02 4 1 -0.666156065086378 3245124 C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC5=C(C=C4S3)OCO5 1 3.395 3 2 4.24494555983843 3245123 CN(C1=CC=C(C=C1)F)C(=O)C2=COC(=O)C3=CC=CC=C32 1 2.53 1 3 -3.23268216213925 3245122 C1=CC=C(C(=C1)C#N)NC(=O)NC2=CC=CS2 1 2.188 3 1 -8.48023533092169 3245121 CCCN(CCC)CCNC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 2.849 4 4 0 -24.5392291305517 3245119 CC(C)NC(=O)NC1=CC=CS1 1 1.459 2 1 0 -12.1495441082896 3245118 CCCN(CCC)CCNC(=O)C1=CC2=C(O1)C3=CC=CC=C3N=C2C 1 3.985 3 2 -6.11770673036249 3245091 COC1=CC=CC(=C1OC)C(=O)N(CN2CCCC2=O)C3=CC(=CC=C3)Cl 1 3.088 2 4 -14.5610230055257 3245090 CCOC(=O)C1CCCN(C1)C(=O)CCN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 1.978 3 4 0 -11.753044646523 3245089 CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)F 1 2.884 2 3 -22.0125008172595 3245088 CC12CC(C3=CC=CC=C3O1)N(C(=O)N2C4=CC=CC=C4)C(=O)C5=CC=CO5 1 3.829 2 4 -7.32297268419289 3245087 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3F 1 1.739 4 3 0 -8.19198359741553 3245086 COC1=CC(=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4)OC 1 1.654 1 4 0 0.277925033179595 3245085 CCOC1=C(C=C(C=C1)CN(CCO)CCO)C(=O)OC 1 1.012 1 5 0 -1.18705373679459 3245084 CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)NCCOC)C 1 1.682 2 4 0 -13.0377182102488 3245081 COC1=CC=CC(=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.892 2 4 -16.9891202545601 3245080 COC1=CC=CC=C1C2=CC(=NO2)C(=O)NC3=C(C=C(C=C3Br)F)F 1 4.45 2 3 -2.64232890110853 3245079 CCSC1=NN=C(N1C2=C(C=CC(=C2)C)C)CC3=CC(=O)NC(=O)N3 1 2.729 5 2 0 -17.3082922614581 3245078 C1=CC(=CN=C1)C(=O)NC(C(F)(F)F)(C(F)(F)F)SCC(=O)O 1 2.175 2 3 -12.1708788283896 3245075 COC1=CC=CC=C1S(=O)CC2=CC=C(O2)C(=O)O 1 1.93 0 5 0 -0.213107599798295 3245074 CCC1=CC=C(C=C1)NC(=O)NC2=CC=CS2 1 3.251 2 1 -4.95700461274053 3245073 COC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 2.476 4 2 1.91821302179693 3245072 CC(=O)N1CCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)OCC(=O)N4CCN(CC4)C 1 -8.e-002 3 5 0 -11.643799748089 3245071 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CN5C4=NC6=CC=CC=C6C5=O 1 2.02 4 4 0 -11.6543352431499 3245070 CCOC(=O)CNC(=O)C1C(N(C(=O)C2=CC(=C(C=C12)OC)OC)C)C3=CC=CC=C3F 1 2.057 2 6 0 -13.1250515167881 3245069 CC1=NOC(=C1)C(=O)NC(C)C 1 0.792 2 2 0 -12.4810575734318 3245068 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)N3CCC4(CC3)OCCO4)N5CCOCC5 1 1.086 4 5 0 -15.6264600288127 3245067 CCN(CCCNC(=O)C1CCCN(C1)S(=O)(=O)CC)C2=CC=CC(=C2)C 1 2.242 3 3 -22.5324819822492 3245066 CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCOCC4)C)C 1 3.473 2 5 0 -11.3817051093019 3245065 CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 4.028 4 2 -8.99232958129139 3245061 CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)C 1 0.939 2 4 0 -6.0798140778309 3245060 C1CCCN(CCC1)C(=O)NC2CCCCC2 1 3.263 2 1 -9.60414725613678 3245059 C1=CC=C(C(=C1)CSC2=NC3=NC=C(C=C3N2)Br)C#N 1 3.684 4 0 -7.91273893976645 3245058 CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CN3 1 -0.999 5 5 0 -11.9612967436664 3245057 CC1=CC=C(O1)CNC(=O)C2=COC(=O)C3=CC=CC=C32 1 1.453 1 4 0 -9.15354689420623 3245056 C1CN(CCN1CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F 1 3.179 2 3 -0.733125543802154 3245055 CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)NCCN4CCN(CC4)C5=CC(=CC=C5)Cl 1 3.324 5 2 0 -2.81810465965499 3245054 CSC1=CC=CC(=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4 1 2.167 3 4 0 -16.3773854786391 3245052 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CN=CC=C3 1 1.545 3 2 0 -13.9124211453127 3245050 C1=CC(=CC=C1CN2C=C(C=N2)NC(=O)C3=NC=CN=C3)F 1 1.18 5 1 0 -10.9574585623771 3245049 CCCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3OC 1 3.282 3 3 -12.4331587540818 3245048 C1=CC(=CC=C1CNS(=O)(=O)C2=CN=CN2)Cl 1 1 3 2 0 2.85238437408034 3245047 C1OC2=C(O1)C=C3C(=C2)C(=O)C(=CN3)C(=O)C4=CC=CC=C4 1 2.345 1 4 -2.59726955575107 3245046 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3C 1 2.888 4 2 -9.76125739390345 3245045 CC1=CC=C(C=C1)CN2C(CCC2=O)C(=O)NC(C)C 1 1.826 2 2 0 -15.6860126838814 3245044 CC1=CC=C(C=C1)C2=NC(=NO2)C3CCN(CC3)S(=O)(=O)C 1 1.643 3 3 0 -8.87714085796138 3245043 CC1=CC(=CC=C1)CN2CCN(C2=O)CC(=O)O 1 1.151 2 3 0 -7.92649605251409 3245042 CCN=C1N(C(=O)C(S1)CC(=O)NC2=CC=C(C=C2)C(F)(F)F)CC 1 3.171 3 2 -6.77015977790813 3245041 CC1=C(C=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CS2)F 1 2.061 2 3 -8.64714917232024 3245040 C1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C=CS3)NC2=O 1 1.476 3 3 0 -13.8495729381504 3245038 CCN1C(=O)CSC2=C1C=C(C=C2)C(=O)NCC3=CC=CO3 1 1.706 2 3 0 -15.591462353238 3245036 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)N4CCC(=CC4)C5=CC=CC=C5 1 3.182 4 3 0 -16.2335255541987 3245034 CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)COC 1 2.302 4 5 0 -19.4437602564763 3245033 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCCCN2CCCC2=O 1 -0.361 3 4 0 -38.3239853342897 3245032 COC1=CC(=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC=CC=C3)OC 1 3.186 3 3 -11.915979647694 3245031 COCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4 1 2.57 3 5 0 -11.8883651556808 3245030 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4=C(C(=CC=C4)OC)O 1 4.018 3 3 0.473631689768356 3245029 C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4Cl 1 4.291 3 0 5.39625292716771 3245028 CC1=CC=CC=C1CS(=O)(=O)CC2=CC=C(O2)C(=O)NCCCN3CCOCC3 1 2.002 2 5 0 -12.0700859993294 3245026 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)NC4CCCC4 1 1.29 3 5 0 -20.6525526546152 3245025 CCN(CC)CCNC(=O)C1CCN(CC1)S(=O)(=O)N2CCCCC2 1 0.395 4 3 0 -16.191888360245 3245024 CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCOC 1 -1.e-003 2 5 0 -20.2004692296199 3245020 COCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=CC(=C3)OC)OC 1 1.806 3 5 0 -14.5129302520139 3245018 CC1=CC(=NN1CCC(=O)NC2=CC=C(C=C2)OC)C 1 1.776 3 2 0 -13.6589951972593 3245017 COC1=CC=CC=C1C2=CC(=NO2)C(=O)NCCCN3C=CN=C3 1 1.518 4 3 0 -6.91249660280575 3245016 COC1=C(C=C(C=C1)C2=CC(=NC(=N2)NC3CCCC3)C(F)(F)F)OC 1 4.595 3 2 -0.777301430248073 3245015 CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)Cl)NC1=S 1 3.642 3 1 -2.52151013558746 3245013 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3CCCCC3 1 1.58 5 2 0 -13.7644084960037 3245012 CCC(C(=O)O)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2 1 2.312 2 4 -18.5069837593506 3245011 CCOC(=O)N1CCC(CC1)NC(=O)CCC2=C(N3C(=NC=N3)N=C2C)C 1 0.867 6 3 0 -23.4237525760775 3245010 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCC2=CC=C(C=C2)Cl 1 2.627 2 3 -22.0438138869238 3245009 CCC1=CC=CC=C1N(C)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)C 1 4.115 3 2 -6.43785266471681 3245007 CC1=C(C=C(C=C1)NC(=O)CN2C(=CC3=C2C=C(O3)C)C(=O)OC)C 1 3.625 2 4 -8.37475518008589 3245006 CN1C2=CC3=CC=CC=C3C=C2NC1=O 1 1.807 2 1 0 -1.08973187988296 3245005 C1=CC2=C(C(N(C2=O)CC3=CC=CS3)O)N=C1 1 1.264 2 2 0 -4.72080042806497 3245004 COC1=C(C=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC(=CC=C3)OC)OC 1 3.257 2 5 0 -5.95248373134827 3245003 C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.686 3 3 -13.0113129228799 3245002 CN1C2=CC=CC=C2N=C1N=CC3=CC(=C(C=C3)OC)OC 1 3.01 3 2 1.38056566000176 3245001 C1CCC(CC1)C2=C(N=C(NC2=O)SCC(=O)NCC3CCCO3)O 1 2.463 3 4 0 -23.6814090858121 3244999 COC1=NC(=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)Cl)OC 1 3.838 2 3 -6.77495144560163 3244998 CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)OC)C4=CC=NC=C4)C(=O)C1)C 1 2.543 3 3 -30.0937782662083 3244997 CCOC(=O)N1CCN(CC1)C(=O)C2CC(=O)N(C2)CC3=CC=C(C=C3)OC 1 0.715 3 5 0 -14.3883474328888 3244995 CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NCCC3=CCCCC3)C4=CC(=CC=C4)OC)N 1 3.529 6 2 0 -19.0066602290071 3244994 CC1CCN(CC1)CCCNC(=O)C2=NNC(=O)C3=CC=CC=C32 1 1.557 4 2 0 -16.8071713909691 3244993 COC1=CC(=CC(=C1OC)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3 1 1.004 3 6 0 -18.6041986604669 3244991 CC1CN(CC(O1)C)C(=O)C2=C(N3C=C(N=C3S2)C4=CC=CC=C4)C 1 2.679 3 2 -6.25923485044116 3244988 COCCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl 1 1.495 3 3 0 -10.9174152462123 3244987 CC1=CC=C(C=C1)C(C#N)N2CCOCC2 1 1.943 2 1 0 -2.67740172767807 3244982 CC1=NC2=CC=CC=C2C(=O)N1NCC3=CC(=CS3)Br 1 2.615 3 1 -6.48520249611016 3244979 CC(=C1C2CC2C3C1C3C(=O)O)C 1 1.721 0 2 0 -4.86671500881225 3244978 C1CN(C(=N1)SCC2=CN=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.546 4 4 0 -28.6674113836834 3244977 CCN1C(=NN=C1SCC(=O)OCC)C2=NN=C(N2CC)SCC(=O)OCC 1 2.277 6 4 0 -14.6685198180299 3244976 CC(=O)C(C(=O)N(C)C)SC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CO3 1 1.029 5 5 0 -10.0491635374169 3244975 C1=CC(=CC=C1CNC(=O)CCNC(=O)C2=CC=C(O2)Br)Cl 1 2.557 2 3 -15.2841629059478 3244974 CCOC(=O)N1CCC(CC1)NS(=O)(=O)C2=CC(=CN=C2N)Br 1 0.493 4 4 0 -11.5887245051279 3244973 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC=CC=C4OC)C 1 2.899 5 3 0 -10.3270802641666 3244972 CC1=CC(=C(C(=C1)C)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CCOC)C 1 3.109 2 3 -10.8765497149041 3244970 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NC3=CC=CC=C3C(=O)OCC 1 2.535 3 4 0 -13.8589154342914 3244969 COC1=CC=CC=C1C2N3CCCC3C(=O)N2C4=CC=C(C=C4)F 1 3.549 2 2 -2.92980507124641 3244968 CC(C1=CC=CC=C1)NC(=O)C2=CN=C3N(C2=O)CCS3 1 1.608 3 2 0 -14.7933383170246 3244967 CCOC(=O)N1CCC(CC1)NC(=O)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=O 1 1.952 4 5 0 -15.7201395329578 3244966 CC(C)CC(C(=O)N1CCC2(CC1)OCCO2)NC(=O)C3CCCCC3 1 2.546 2 4 -16.666720774287 3244965 CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(N=C(O3)C)C 1 2.458 3 2 -3.14533797065723 3244964 C1CCCC(CC1)NC(=O)C2C3=CC=CC=C3C(=O)N2C4CC4 1 2.996 2 2 -11.242116323972 3244963 CC1=C2C(C(C(CC2=NN1)(C)O)C(=O)C)C3=CC(=C(C=C3)OC)OC 1 1.714 2 4 0 -12.4336778464284 3244961 COC1=CC=C(C=C1)CCNC2=C(N=C(O2)COC3=CC=CC=C3F)C#N 1 3.822 3 3 -5.17774416624651 3244960 CCC(C)N1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC(=CC=C4)OC)C(=O)NC5CCCCC5C 1 2.714 3 5 0 -3.4894031948127 3244958 CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CN=CN2 1 -0.201 4 5 0 -11.2194067994807 3244956 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)N3CCC4=CC=CC=C43 1 2.362 5 1 -21.8111825757524 3244955 CCOC(=O)C1CCCN(C1)C(=O)CC2=C(NC3=CC=CC=C32)C(=O)O 1 2.304 2 5 0 -14.1440980807621 3244954 CC1=CC(=CC=C1)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)F 1 3.55 5 1 -5.10760724719619 3244953 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)F 1 4.771 4 2 -6.08388517692573 3244952 C1=CC(=CC=C1C2=NC(=CO2)CC(=O)O)F 1 1.95 1 3 0 4.06373128911435 3244951 CCCCN1C(=O)C2=C(NC1=S)N=CC=C2 1 2.859 3 1 -3.57826789982114 3244950 CN1C2=C(C=C1C(=O)N3CCCC(C3)C(=O)NCCN4CCOCC4)SC=C2 1 1.629 4 3 0 -12.2836452890634 3244945 C1CCC2(CC1)C(=CC(=O)O2)NCC3CCCO3 1 1.696 1 3 0 -6.37496803199641 3244944 CN1C2=C(C=C(C=C2)C=NN3C=NN=C3)N(C1=O)C 1 0.319 6 1 0 -7.0018663117205 3244943 CC1=C(C(CC(=O)N1)C2=CC=CC=C2OC)C(=O)OCC3CCCO3 1 1.655 1 5 0 -25.3855628243676 3244942 CCC(=O)N1CC(C(=O)NC2=CC=CC=C21)C 1 1.34 2 2 0 -11.2838009844892 3244941 C1CCCC(CC1)NC(=O)CCN2C(=O)C3=C(C2=O)N=CC=C3 1 1.762 3 3 0 -10.4291281841916 3244940 CCCN(CCC)CCCNC(=O)CC(C(=O)N1CCC2=CC=CC=C21)N3C=CN=C3 1 2.229 5 2 0 -29.303036267467 3244939 CCOC(=O)N1CCC(=C(C#N)C(=O)NC2=C(C=CC(=C2)OC)OC)CC1 1 2.051 3 5 0 -9.33417200536634 3244937 C1CCC(C1)NC(=O)CSCC2=CC=C(C=C2)F 1 3.046 1 1 -11.342275887895 3244935 CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CC=C3 1 1.681 3 3 0 -20.5422971687727 3244934 CCOC1=CC=CC=C1N2C=NC3=C2C=CC(=C3)C(=O)NCC4=CC=CO4 1 3.433 3 3 -12.387413843456 3244931 CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC(=CC=C2)F 1 1.393 2 3 0 0.870726316732608 3244928 CN(C)C(=O)N1CCC(CC1)C(=O)NCC2=CC(=CC=C2)OC 1 1.028 3 3 0 -13.9311437356773 3244927 CC1=CC=C(C=C1)CCNC(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C)N 1 3.48 5 1 -9.48811354182212 3244926 CC1=C(SC2=NC=NC(=C12)N(C)C3=CC=CC=C3)C(=O)N4CCC5(CC4)OCCO5 1 3.663 4 3 0 -11.7102909714306 3244925 COC1=CC=CC(=C1)C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4 1 2.762 4 3 0 1.6342805953399 3244924 CCCCN(CCCNC(=O)C1CCCN(C1)S(=O)(=O)CC)CC2=CC=CC=C2 1 2.647 3 3 -22.1791768360053 3244923 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)NCCCOCC)CC=C 1 1.446 3 5 0 -28.2788365771985 3244922 CN(CC1=CC=CC=C1)C(=O)CNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.865 4 3 0 -19.7447522605195 3244921 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCSC2C(=O)O 1 0.399 2 5 0 -18.9102307857429 3244920 CCCCNC(=O)C1=CC=C(C=C1)NC(=O)C2CCCO2 1 1.82 2 3 0 -20.9562276200465 3244919 CC1=CC(=CC=C1)CN2CCN(C2=O)CC(=O)NCCCN3CCCC3=O 1 0.445 4 3 0 -25.4571186507388 3244917 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C 1 0.99 2 6 0 -23.1749003907035 3244916 CC1CCC2=NN(C=C2C1)CC(=O)NC3=CC=C(C=C3)NC(=O)C 1 2.008 4 2 -11.8403903119696 3244915 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CC=CC=N3 1 1.761 3 2 0 -13.6653041088387 3244914 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 1.254 3 5 0 -10.5069249008073 3244913 C=CCN1C(=C(SC1=S)C(=O)NCCC2=CCCCC2)N 1 3.588 3 1 -16.2084122341914 3244912 CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=CC(=C3)OC)OC 1 1.951 3 6 0 -10.8879780922551 3244911 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)N3CCC(=CC3)C4=CC=CC=C4)OCC 1 3.035 3 5 0 -17.0919140750253 3244910 CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CS5 1 2.866 4 4 0 -9.31960734118524 3244909 C1=COC(=C1)CNC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)F 1 1.306 6 3 0 -20.7521505576997 3244908 CC1=C/C(=C/N(C)C2=CC=CC=C2)/C(=O)S1 1 2.568 1 1 -1.76073188255002 3244907 COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)N4CCCCCC4 1 3.894 2 3 -6.10067268648946 3244904 CCN1CCCC1CNC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.597 3 2 0 -22.8186598211663 3244903 COC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCC2=CC=CO2)C3=CC=CO3 1 1.698 2 6 0 -23.5586836968434 3244902 CC1=CC=C(C=C1)C(C2=C(N3C(=NC(=N3)C)S2)O)N4CCN(CC4)C5=CC=C(C=C5)F 1 4.801 5 1 1.27303354682886 3244900 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NCCC3=CCCCC3)C(=O)N(C1=O)C 1 1.523 4 5 0 -28.7084783188777 3244898 CC(C)(C)C1=CN(C(=S)N1)C2=CC=CC=C2 1 3.717 2 0 -2.44851251645697 3244897 CN(C)C(=O)N1CCCC(C1)C(=O)NCC2=CC=CC=C2 1 1.18 3 2 0 -13.6705718569585 3244896 CCCOC1=CC2=C(C=C1)OC(=O)C3=C2CCCN3C(=O)CN4CCC5=CC=CC=C5C4 1 3.941 2 4 -15.4526254709387 3244895 C1CCCN(CC1)CCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S 1 3.566 4 2 -4.49944004138322 3244894 C1CCC2=C(C1)C(=NO2)C(=O)NCC3=CC=C(C=C3)F 1 3.092 2 2 -14.0272123841388 3244892 CC(C)(C)C1=CSC(=N1)N(CCC#N)CCC#N 1 2.155 4 0 -6.03462932927799 3244891 CCCCN(C)CCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N(CC)CC 1 1.663 4 4 0 -22.7014543459321 3244890 C1=CC(=CC=C1C2=CC=C(O2)CCC(=O)O)Br 1 3.482 0 3 1.40123258467446 3244889 CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)CC(S(=O)(=O)C3=CC=CC=C32)(C)C 1 0.673 3 6 0 -10.9717354390199 3244886 CC(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=CC=C3)OC(=O)N4CCOCC4 1 2.777 5 4 0 -14.9438105659217 3244885 COC1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC(=CC=C3)OC 1 3.186 3 3 -6.99216481783634 3244884 C1CCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)C(=O)N2CC5=CC=CO5 1 2.702 4 5 0 -28.3187949861658 3244882 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=NOC(=C2)C3=CC(=CC=C3)O 1 4.007 2 3 -1.28098877707663 3244880 C1=CC=C2C(=C1)C(=O)C(=CNCC3=CC=CC=N3)C2=O 1 1.371 2 2 0 -4.75612511698972 3244879 CSC1=NCCN1C(=O)C2=CC(=CC=C2)C(F)(F)F 1 3.25 2 1 -3.04513845058374 3244878 C1=CC=C(C(=C1)CNC(=O)CC2=NNN=N2)Cl 1 1.271 5 1 0 -12.9417492031298 3244876 CC(C)(C)NC(=O)C1=CC=C(O1)COC2=CC=CC=C2OC 1 2.993 1 4 -14.6857999713146 3244874 CC1=C(C(=O)NC(=C1CCC(=O)NC2=CC=CC=C2OC)C)C#N 1 1.694 3 3 0 -18.0150504549129 3244873 C1COCCN1CCNC(=O)C2=NOC(=C2)C3=CC=CS3 1 1.51 3 3 0 -11.7863577947959 3244872 C1=CC=C2C(=C1)N=C(O2)SCC3=NN=C(N3N)CSC4=NC5=CC=CC=C5O4 1 3.473 6 2 0 -4.95276638359622 3244871 C1OC2=C(O1)C=C(C=C2)NC3=C(N=C4N3C=CC=N4)C5=CC=C(C=C5)O 1 3.747 4 3 0 1.11822686174449 3244870 COC(=O)C1=CC(=O)N(C(=NCC=C)S1)CC=C 1 1.979 2 3 0 -10.961723154326 3244869 CC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)NC3=CC4=C(C=C3)OCO4 1 2.414 2 4 -10.8562165619794 3244868 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)N3CCC4=CC=CC=C4C3 1 1.981 3 4 0 -24.1067036835021 3244867 CN1C2=C(C=CC(=C2)Cl)C(=CC1=O)SCC(=O)N3CCC4(CC3)OCCO4 1 1.699 2 4 0 -8.89332525214543 3244866 C1=CC=C(C(=C1)CCNC(=O)CCC2=NC(=NO2)C3=CC=CC=C3F)Cl 1 3.679 3 2 -16.4371505802018 3244865 CC(C)(C)C1CCC2=C(C1)C(=NO2)C(=O)NC3=C(C=C(C=C3)F)F 1 4.457 2 2 -13.1865713924065 3244861 CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)N4CCN(CC4)C5=NC=CC=N5)C 1 2.607 6 1 0 4.41620593744097 3244860 CC(C)OC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CO3)C4CCCC4)OC 1 3.111 2 5 0 -13.1104363052369 3244859 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.771 1 4 -6.54825277616726 3244855 CC1=CC=C(C=C1)S(=O)(=O)C2=NNN3C2=NC(=O)C4=CC=CC=C43 1 2.205 4 3 0 -6.8429876283183 3244854 CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2=CC=CC=C2 1 2.084 2 3 -11.5536234965127 3244853 CC(C(=O)N1CCC2=CC=CC=C21)OC3=CC=CC=C3Br 1 3.963 1 2 -12.768273458795 3244851 CCOCCCNC(=O)C1CCN(CC1)S(=O)(=O)N2CC(CC(C2)C)C 1 0.477 3 4 0 -23.6478643417042 3244848 CCOC1=CC=C(C=C1)NC(=O)N(C2CCCCCC2)C3CCN(CC3)C(=O)C 1 3.169 3 3 -7.49001771807796 3244847 CCCCN(CCCNC(=O)CN1C(=O)COC2=CC=CC=C21)C3=CC=CC=C3 1 3.087 3 3 -16.1965657389012 3244846 CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=CS2 1 2.118 2 2 -11.9172356680446 3244843 CN(C)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC4=CC=CC=C4N3C=N2 1 2.594 5 2 0 -8.32671049247748 3244842 CC1=C(C(=NC2=NC(=NN12)C)C)CCC(=O)NC3=CC4=C(C=C3)OCO4 1 1.805 5 3 0 -17.8478882037947 3244841 CCCCNC(=O)C1=CC2=C(C=C1)N(C=N2)C3CCCCC3 1 3.946 3 1 -14.5907120571271 3244840 COC1=CC=CC=C1CN2CC(CC2=O)C(=O)NCC3=CN=CC=C3 1 0.733 3 3 0 -19.9583669561326 3244838 CC1=CC(=NO1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=C4 1 2.335 4 4 0 -16.228299252953 3244837 COC(=O)C1=CC=CC=C1NC(=O)CN2C=C(C=N2)Br 1 1.72 3 3 0 -11.9146935424913 3244835 CS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC=CS2 1 0.509 2 3 0 -20.027140058575 3244834 CCN(CCCNC(=O)C1=C(OC(=O)C=C1C)C)C2=CC=CC(=C2)C 1 3.16 2 3 -11.662565336645 3244831 CCOC(=O)CC(=O)CSC1=NN2C(=NN=C2C3=CC(=CC=C3)F)C=C1 1 3.031 4 3 0 -7.37742803720732 3244830 CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 2.108 2 4 -10.4309820883614 3244829 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCC3=CN=CC=C3 1 0.987 3 3 0 -11.2021932011535 3244828 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)O 1 1.153 1 5 0 -24.0545885863499 3244827 CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4OC 1 3.08 4 3 0 -7.98563452618267 3244826 CC1=CC2=C(C=C1)OC(C(=O)N2)(C(F)(F)F)N3CCOCC3 1 2.331 2 3 -5.04159323042027 3244825 C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C4=CC=CC=C4 1 3.43 4 2 -1.90919480837424 3244824 CC1=CC=CC2=NC(=CC(=O)N12)CSC3=NN4C(=CC(=NC4=N3)C)C 1 2.127 6 1 0 -17.9041578029921 3244823 COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NCC4=CC5=C(C=C4)OCO5 1 3.353 2 5 0 -5.5828283179602 3244822 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=CC4=CC=CC=C4O3 1 3.861 2 2 -4.03678470880112 3244820 CCC(C)(C#C)NC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)S(=O)(=O)C 1 2.389 5 3 0 -11.994937754008 3244819 CCC(C)NC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OCC 1 2.451 3 5 0 -17.2837422386383 3244818 COC(=O)C1=CC2=C(N1CC(=O)N3CCCC4=CC=CC=C43)SC=C2 1 3.389 2 3 -10.6162866988842 3244817 C1COCCN1C(CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4 1 1.094 3 4 0 -19.8761107476867 3244816 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=NN=CS5 1 0.945 4 3 0 -7.6896544192507 3244815 CCN(CC)CCCNC(=O)CC1C(=O)NC2=CC=CC=C2S1 1 1.52 3 2 0 -18.4712984645909 3244813 CCO.CC1=CC(=C(S1)SC)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CN=CC=C4)N)C#N CCO 1 3.389 4 1 -19.2647527968391 3244812 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=NC=C3)CCCCCC(=O)NCC4=CC=CO4 1 3.976 4 3 0 -29.3137167148229 3244811 CCCN(CCC)S(=O)(=O)C1=CC2=C(C=C1)N(CCC2)C(=O)C 1 2.549 2 3 -19.2938528610096 3244810 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCC(=O)O 1 1.362 2 5 0 -31.2516525928616 3244809 COC1=C(C=C(C=C1)C2=NOC(C2)C(=O)NC3CCCCC3)OC 1 2.631 2 4 -9.90938746714342 3244808 CC1(CC2CC(C1)(CN2C(=O)C3=NOC(=C3)C4=CC(=CC=C4)OC)C)C 1 3.961 2 3 -8.04750487941088 3244807 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 1.98 4 3 0 -6.83209392543378 3244806 CCC1=NC2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)N1C4=CC=C(C=C4)OC 1 4.277 4 2 -2.13823068202209 3244805 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CC3C(=O)NC4=CC=CC=C4O3 1 2.84 3 3 -5.06723052326941 3244804 CC(C)N1C(C(=O)N(CC1=O)C2CCCCCC2)C3=CC=CC=C3F 1 3.496 2 2 -9.64129077966931 3244803 CC1=CC(=NC=C1)NC(=O)NC2=CC3=C(C=C2)SCC(=O)N3C 1 1.951 4 2 0 -7.01607194416652 3244802 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4 1 2.734 3 4 0 -9.47161977170226 3244801 CC1=CC(=NO1)N2C(N3CCCC3C2=O)C4=CC(=C(C(=C4)OC)OC)OC 1 2.45 3 5 0 -9.6458701248126 3244800 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N3CCC4(CC3)OCCO4 1 0.476 2 5 0 -8.87254591366261 3244799 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)NC3CCCC4=CC=CC=C34 1 2.716 3 4 0 -24.7575100365331 3244798 CN1C2=CC=CC=C2C(=O)N3C1=CC4=CC=CC=C4C3=O 1 2.971 2 2 -1.54624790479512 3244797 C1=CN(C=C1)CCC(=O)NCC2=CC=C(C=C2)Cl 1 2.685 2 1 -9.79671105923532 3244795 CC1=C(C(CC(=O)N1)C2=CC=CC=C2Cl)C(=O)OCCSC 1 2.59 1 3 -21.8893574852085 3244793 CC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)OC 1 3.776 2 3 -2.5071810689368 3244792 COC1=CC(=C(C=C1C2N3CCCC3C(=O)N2C4=CC=CC=N4)OC)OC 1 2.699 3 4 0 -8.1961205579025 3244791 CCNC(=O)C1=CC2=C(N1C)N=C3C(=CC=CN3C2=O)C 1 1.056 4 2 0 -15.9111288486269 3244790 CCC(C)NC(=O)C1=C2N=C3CCCCC3=C(N2N=C1)C 1 2.364 4 1 -16.9271381551552 3244789 CC(C)CCNC(=O)CCCN1C(=O)C2=C(C=CC(=C2)Br)NC1=O 1 2.728 3 3 -19.688792835284 3244788 CCCN1CCC2(CC1)NC(CO2)(CO)CO 1 -0.203 2 3 0 1.03085371349637 3244787 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)NCC3=CN=CC=C3)OC 1 0.478 4 5 0 -21.0890767664977 3244786 CC(=O)N(C1=CC2=C(C=C1)OC(=O)S2)S(=O)(=O)C3=CC=CC=C3 1 3.023 1 5 -6.4944858612175 3244784 CC1CCCC(C1C)NC(=O)CN2CCN(C2=O)CC3=CC=C(C=C3)Cl 1 3.337 3 2 -11.5566158966492 3244783 CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)NC3CCCC3 1 2.096 2 2 -9.78469924972913 3244780 CC1(CCC(=O)N1CCC2=CC(=C(C=C2)OC)OC)C(=O)NCC3=CN=CC=C3 1 1.646 3 4 0 -12.4977464778631 3244778 CCC1=CC=CC=C1N(CC)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)C 1 4.464 3 2 -8.12964528741144 3244777 COC1=CC2=C(C=C1)OC(=O)C(=C2)NC(=O)C3CCCCC3 1 2.834 1 4 -2.23000807129275 3244776 COCCNC(=O)C1CCN(CC1)S(=O)(=O)N2CCC3(CC2)OCCO3 1 -1.425 3 6 0 -22.5492333654058 3244774 CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=NOC4=C3CC(CC4)C(C)(C)C)C 1 5.194 4 2 -17.3163593922949 3244773 COC1=CC=C(C=C1)CN2C(=NC3=C2N=CC=C3)CCC(=O)NCC4=CC=CO4 1 2.616 4 3 0 -18.2624488245868 3244772 CNC1=NN=C(S1)C2=CC3=CC=CC=C3OC2=O 1 1.595 3 2 0 -4.79851703179851 3244768 CCOC(=O)C1(N=C(OC(=N1)N(C)C)N(C)C)C(F)(F)F 1 2.003 4 3 0 0.153943112009941 3244767 CCOC1=C2C(=C(C=C1)S(=O)(=O)NCC3CCCO3)C=CC=N2 1 1.618 2 4 0 -14.025040635466 3244766 CC1=CC(=C(C=C1C)S(=O)(=O)NCC2=CN3C(=CSC3=N2)C)C 1 2.752 3 2 -1.46442555644958 3244764 C1CCCC(CC1)N2CC(CC2=O)C(=O)NCCC3=CC=CC=C3 1 2.952 2 2 -16.8904997015058 3244763 C1CC2CC1C(C2C(=O)O)C(=O)NCCCN3C=CN=C3 1 0.164 3 3 0 -8.25759298516989 3244762 CC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OC(C)C)C3=CC(=CC=C3)F 1 3.623 2 3 -23.8976173458536 3244761 COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3CCCC3 1 2.683 3 3 -19.4359827205037 3244759 CC1C(=O)NC2=C(O1)C3=CC=CC=C3N(C2=O)CC(C)C 1 1.332 2 3 0 -10.5334747779033 3244758 CS(=O)(=O)N1CCCC(C1)C(=O)NCC2=C(C=C(C=C2)F)Cl 1 1.639 2 3 0 -16.9577039706762 3244757 CC1=CC(=NO1)NC(=O)C2=NOC3=C2CCCC3 1 2.019 3 3 -19.671883983167 3244756 CCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC=C(C=C3)NC(=O)C)C#N)OCC 1 0.889 5 3 0 -5.701177023481 3244755 CSC1=NC(=CN=N1)C2=CC(=C(C=C2)F)F 1 3.004 3 0 6.97754040932519 3244754 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CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)N3CCC(CC3)C 1 0.172 4 5 0 -16.2682347210078 3244690 COC(=O)C1=C(N(C2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)C5=CC=C(C=C5)F)N 1 3.558 2 5 0 -24.1330540287905 3244687 CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3N2CC(=O)OC)C 1 3.781 2 4 -12.8863246346424 3244686 CC1=C(C(=NC2=NC(=NN12)C)C)CCC(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.955 7 1 0 -12.3586570921221 3244684 CCOC1=CC=CC=C1CNC(=O)C2CCC(=O)N2C(C)C 1 1.672 2 3 0 -15.7871265231485 3244682 CC1=CC(=NO1)N(CN2CCCC2=O)C(=O)C3=CC=CC=C3 1 1.595 3 3 0 -17.8469545008142 3244680 CC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)OC)OC)S(=O)(=O)C3=C(ON=C3C)C 1 2.495 3 6 0 -16.4487359570553 3244677 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NC3CCN(CC3)C(=O)OCC)Br 1 1.919 3 5 0 -16.9974844797263 3244674 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C(=C2)SC4=NC=NN4)OC(=O)S3 1 3.785 4 5 0 -8.30405321179512 3244673 C1CN(CCN1C2=CC=CC=N2)C3=NC4=CC=CC=C4C5=NC(=NN53)C6=CC=CC=C6 1 4.035 7 0 0 3.05019160208084 3244672 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2C)NC(=O)CO3 1 0.432 3 6 0 -15.2576259714743 3244671 C1=CN(C=C1)CCC(=O)NC2=CC(=CC=C2)F 1 2.219 2 1 -4.74252199446632 3244670 CC1=CC(=CC=C1)OCC2=NS(=O)(=O)C3=CC=CC=C3N2 1 2.518 2 3 -4.59344257137966 3244669 CCOCCCN1C(C(=O)N(CC1=O)C2CCCCC2)C3=CC(=C(C=C3)OCC)OC 1 2.704 2 5 0 -17.8770319857782 3244668 CC(C)CCN1C(=O)CCC1(C)C(=O)NC2CCCCCC2 1 3.236 2 2 -11.8361277556542 3244667 CC1=CC(=C(C=C1)C)CN2C=NC3=C(C2=O)N=NN3C4=CC=C(C=C4)F 1 4.029 5 1 -1.15529178332592 3244666 CC1=C(C=CO1)C(=O)NC2=NNN=N2 1 0.234 5 2 0 -5.65074783100818 3244665 CCC(C)(C)NC(=O)CC(C1=CC=C(C=C1)OC)N2C=CC=C2 1 3.488 2 2 -9.55928014653309 3244663 CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)F)CCOC 1 2.488 2 3 -6.61400646274038 3244662 C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C5CS(=O)(=O)CC5=NN4C6=CC=C(C=C6)F 1 3.563 3 3 -3.76867444518705 3244660 CCN(CCCNC(=O)CCN1C(=O)C2=CC=CC=C2NC1=O)C3=CC=CC(=C3)C 1 2.786 4 3 0 -18.0993316447577 3244659 CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)N(C)C 1 1.974 2 3 0 -14.2398715516575 3244658 CCCOC1=CC2=C(C=C1)OC(=O)C3=C2CCCN3C(=O)CN(C)CC4=CC=CC=C4 1 3.867 2 4 -10.3043508744205 3244657 CCC(C)(C(=O)NC1=CC2=C(C=C1)OCCO2)N(C3=CC=C(C=C3)C(=O)N)C(=O)C 1 1.9 3 5 0 -15.5388910594769 3244656 CCCCN(CC)S(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)F 1 2.108 3 3 -19.3758040754826 3244655 CCN(C1=CC=C(C=C1)OC)C(=O)C2=CC3=C(O2)N=C4C=C(C=CC4=C3)C 1 4.619 2 3 -0.123812789210853 3244653 COC1=CC=CC(=C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3 1 3.022 2 4 -9.00985449192086 3244652 C1CN(CC1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 2.964 2 1 -2.95809428174596 3244651 CC1=C(C=C(C=C1)C(=O)N(CN2CCCC2=O)C3=CC=C(C=C3)F)C 1 3.634 2 2 -12.0359139047711 3244650 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)N3CCCCC3)OC 1 2.82 2 4 -6.49206328995216 3244649 CC1=NC2=C(S1)C=CC3=C2SC(=N3)NC(=O)C4=CC5=C(C=C4)OCCO5 1 3.37 3 3 -8.95842976805722 3244648 C1CCN(C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl 1 3.939 3 1 -4.89109451604678 3244647 CC1=CC=C(O1)CNC(=O)CCCOC2=CC(=O)N(C3=CC=CC=C32)C 1 1.686 2 4 0 -13.0302874435022 3244646 CCOCCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)F 1 2.178 2 4 -21.1149032371001 3244645 CC1CCCC(C1C)NC(=O)CCN2C3=CC=CC=C3OC2=O 1 3.283 2 3 -10.4330999100338 3244644 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.137 2 5 0 -11.9485252629485 3244641 CC1(CC2=C(C(C3=CC(=C(C=C3N2)OC)OC)C4=CC5=C(C=C4)OCO5)C(=O)C1)C 1 3.827 1 5 -25.634494017641 3244640 C1=CC=C(C(=C1)CSCC2=CC=C(O2)C(=O)O)F 1 3.27 0 3 -7.19049203213293 3244639 CCOC(=O)CSC1=CC(=O)N(C2=C1C=CC(=C2)Cl)C 1 2.424 1 3 -6.89357941405491 3244638 CCOC(=O)N1CCN(CC1)C(=O)C2CC(=NO2)C3=CC=CC=C3OC 1 1.204 3 5 0 -11.0592006331892 3244637 CCC1=C(NC(=C1C(=O)C)C)C(=O)NC2CCCCC2 1 3.109 2 2 -9.37159100021515 3244635 C1CN(CCC1C(=O)NCCN2CCOCC2)C3=NC4=CC=CC=C4O3 1 0.946 4 3 0 -12.6619591488944 3244634 COCCCNC(=O)CCCN1C(=O)C2=CC=CC=C2NC1=O 1 0.331 3 4 0 -21.503853543073 3244633 CCN1CCN(CC1)CCCNC(=O)C2=CSC3=C2CCCCC3 1 3.046 3 1 -9.39229289040217 3244632 CCOC1=C(C=C(C=C1)CCNC(=O)C2CCC(=O)N2C3CCCCC3)OCC 1 3.458 2 4 -18.4179796969943 3244631 C1=CC=C(C=C1)C(C(=O)NCC2=CC=CS2)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 2.971 4 3 0 -19.1132927546736 3244630 COCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.09 5 2 0 -6.86746519580116 3244629 CCCCN(CC)CCCNC(=O)CC1C(=O)NC2=CC=CC=C2O1 1 1.941 3 3 0 -19.6195900188981 3244626 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCC(=O)NCCOC 1 1.4e-002 3 4 0 -17.2209434339655 3244625 CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54 1 3.454 5 3 0 -19.0531540592823 3244623 C1=CC=C(C(=C1)NC(=O)CCNS(=O)(=O)C2=CC=CS2)F 1 1.617 2 3 0 -14.8480116982562 3244621 C1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.992 2 3 0 -15.6431214043829 3244619 COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=NC=C3 1 1.263 4 5 0 -10.036750148309 3244617 CCN(C1=C(C=CC(=C1)OC)OC)C(=O)C2=COC(=O)C3=CC=CC=C32 1 2.64 1 5 -7.88504709777905 3244616 CCCC(=O)N(C1CS(=O)(=O)C=C1)C2=CC=C(C=C2)OC 1 1.643 1 4 0 -7.7555747801633 3244614 CCCNC(=O)C(CC)NS(=O)(=O)C1=CC=C(C=C1)OC 1 1.664 2 4 0 -19.9412212414306 3244613 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)SC)OC 1 2.826 1 4 -4.60582448112202 3244610 CCN1C2=CC=CC=C2C(=O)C(=C1O)[N+]3=CC=CC=C3.[Cl-] Cl- 1 3.24 2 2 -0.469600767810986 3244609 CC1=C(C(=NC2=CC(=NN12)C3=C(C=C(C=C3)OC)OC)C)CCC(=O)N4CCCCC4 1 3.404 4 3 0 -13.1616246323261 3244608 CC1CCN(CC1)CC2=CC=C(C=C2)C3=NNN=N3 1 2.542 5 0 1.15232121259124 3244607 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N3CCN(CC3)C(=O)OCC 1 0.969 3 5 0 -6.52777414661324 3244606 COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3CCCO3)C4=CNC5=CC=CC=C54 1 2.35 3 4 0 -14.3402137503336 3244605 CC1=CC=C(C=C1)NC2=NC(=O)SC2CC(=O)OC 1 2.459 2 3 -8.4553735303198 3244604 CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)O 1 1.979 1 4 0 -5.47103495434159 3244602 COC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SC 1 2.842 4 1 -1.94393986301841 3244601 CC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4O3 1 3.645 3 2 -10.1979035301114 3244600 CCN(CC)C(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N(CC)CC)C 1 1.453 3 4 0 -19.2604436400489 3244599 CC(=O)C1=C(NC(=NC1=S)C2=CC=CC=C2)N 1 1.287 3 1 0 -4.50834075726729 3244598 CC(=O)N1CCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)OCC(=O)NCC4=CC=CO4 1 0.522 2 6 0 -19.17904940356 3244597 C=CCNC1=NC(=NC(=N1)N2C=CN=C2)N(C3=CC=CC=C3)C4=CC=CC=C4 1 3.826 7 0 0 -4.87691353190344 3244595 C1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)C3=CC=CS3 1 3.267 2 2 -10.4314386712526 3244594 CCOC(=O)NC1=CC2=C(C(=C1)Br)OCCO2 1 2.476 1 4 -4.98744834159238 3244593 CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NC(C)COC)C 1 1.711 2 4 0 -11.5669935906559 3244592 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4 1 2.55 4 3 0 -15.0849495792877 3244591 CC(C)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC#N 1 4.7 3 1 -14.2650049617585 3244589 CCN(CC)C(=O)CN(C)S(=O)(=O)C1=CC=CC2=NSN=C21 1 1.038 4 3 0 -12.0255719808644 3244587 CC1=C(C(=CC=C1)C)NC(=O)N2CCN(CC2)C3CCCCC3 1 3.94 3 1 -3.76571180631089 3244583 CCS(=O)(=O)N1CCC(CC1)C(=O)NCCCN2CCCCCC2 1 0.973 3 3 0 -22.0124905674045 3244582 C=CCNC(=O)C1=CC=CC=C1Cl 1 2.319 1 1 -11.6044720834229 3244581 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NOC(=C3)C)CC4=CC=CN4C 1 3.872 6 2 0 -26.4319078267384 3244580 CC(C)N(CCNC(=O)C1CCN(CC1)S(=O)(=O)N2CCOCC2)CC3=CC=CC=C3 1 0.777 4 4 0 -15.7367499174019 3244579 C1C(OC2=CC=CC=C2O1)CNC(=O)CNS(=O)(=O)C3=CC=C(S3)Br 1 1.618 2 5 0 -14.7199401695381 3244578 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NN3C=NN=C3 1 -5.e-002 6 2 0 -7.83411974841171 3244577 CC1=C(C2=NSN=C2C=C1)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.899 3 4 0 -7.33868566851595 3244576 CCCCN(CC)C(=O)C1CCC(=O)N(C1C2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)OC 1 4.212 2 5 0 -17.7935992576396 3244575 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4 1 2.756 4 3 0 -5.82764926177905 3244572 CCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.422 2 4 -11.801014052933 3244571 CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)N4CCN(CC4)C 1 0.146 4 4 0 -19.307657711764 3244570 COCCNC(=O)C1=NOC(=C1)C2=CC3=C(C=C2)OCO3 1 1.367 2 5 0 -9.79363009769913 3244569 COC1=CC=CC(=C1)CNC(=O)CCCNS(=O)(=O)C2=CC=CS2 1 1.723 2 4 0 -21.8647679043549 3244567 CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCCCN3CCOCC3 1 0.653 3 3 0 -13.942755890151 3244565 CCOC(=O)N1CCN(CC1)C(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=CC=C4OC 1 2.646 4 4 0 -6.34119826527623 3244564 CCOC(=O)C(C)SC1=NN=C(N1C2CCCCC2)CNC(=O)C3=CC=C(C=C3)OC 1 3.85 4 4 0 -22.4181949007677 3244563 C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCC4(CC3)OCCO4 1 1.865 3 4 0 -8.58882655261968 3244562 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCCCN(CC)CC3=CC=CC=C3 1 2.688 3 3 -8.25787164627064 3244561 CC1=C(C=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3CCCC3)C 1 3.179 1 3 -1.83868597031262 3244560 CC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=C(NC(=O)NC2=O)C 1 0.844 3 4 0 -11.5759524654793 3244559 C1CC(=O)N(C1)C2=NN=C(S2)N3CCC(CC3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6 1 1.164 6 4 0 -8.68869779032616 3244557 CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NCC4CCCO4 1 3.357 5 2 0 -30.3193624006818 3244556 C1CCC(CC1)NC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC#N 1 3.133 4 2 -25.9028827302393 3244555 CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C)C 1 3.401 1 5 -12.3269281480171 3244552 CC(C)NC(=O)C1=NOC(=C1)C2=CC=C(C=C2)Br 1 3.205 2 2 -8.91044288153308 3244551 CCN1CCCC1CNC(=O)CSC2=CC(=O)N(C3=C2C=CC(=C3)Cl)C 1 2.405 3 2 -14.4449111216333 3244550 COC1=CC=CC(=C1)CNC(=O)NC2=CC=CS2 1 2.299 2 2 -7.55375218776777 3244547 COC1=CC(=C(C=C1)OC)C2=NOC(C2)C(=O)N3CCC4(CC3)OCCO4 1 1.043 2 6 0 -13.0439792953251 3244545 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 1 3.037 4 5 0 -6.13206440714761 3244544 C1CN(CCN1CC2=CN3C(=NN=C3S2)C4=CC=C(C=C4)Br)C5=CC=CC=C5 1 4.506 5 0 7.68200631098338 3244543 CC1=CC(=C(C2=C1C=CC(=N2)N)O)C 1 2.539 2 1 5.34636412261364 3244542 CC1CCC(CC1)NC(=O)CN2C3=CC(=CN=C3N4CCCC4C2=O)Cl 1 2.203 4 2 -10.0444795418542 3244541 CC1CCN(CC1)C(=O)C2=NOC(=C2)C3=CC(=C(C=C3)Cl)Cl 1 4.434 2 2 -4.05559767611593 3244539 CN1C=C(C2=CC=CC=C21)C=NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5 1 4.406 4 1 2.01453465401652 3244538 CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCOC 1 0.574 3 4 0 -19.722744596985 3244537 C1OC2=C(O1)C=C(C=C2)C3=CN4C=CSC4=N3 1 2.016 2 2 1.46918369423593 3244534 CC1CCN(CC1)CCC(=O)N2CCCC3=C2C(=O)OC4=C3C=C(C=C4)O 1 2.602 2 4 -11.7235050569497 3244530 CCOC(=O)C(C)N1C=NC2=C(C1=O)N=NN2C3=CC=C(C=C3)C 1 2.294 5 3 0 -9.38720183998851 3244529 CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CCCCC3 1 2.816 4 3 0 -28.3238108372115 3244527 COC1=CC=C(C=C1)C2C(CC(=O)N2C3=CC=C(C=C3)OC)C(=O)O 1 2.31 1 5 -4.95436871601508 3244526 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(C)C(=O)NC(C)CCC4=CC=CO4 1 3.193 4 4 0 -12.4898920585015 3244524 CC(C)(C)OC(=O)NCC(=O)NCC(=O)OCC1=CC=CC=C1 1 1.298 2 5 0 -16.7733063955389 3244523 CCOC1=CC=C(C=C1)N2C(C3=C(C2=O)C=CC=N3)NC4=CC=C(C=C4)C 1 4.332 3 2 -7.25878311722524 3244522 CC1=C(C=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CO3)C 1 3.674 2 3 -3.95041298359327 3244521 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.668 4 5 0 -9.23075563264621 3244520 C1=CC=C(C=C1)N2C(=C(C=N2)CSCC(=O)O)N3C=CC=C3 1 3.087 3 2 -7.80289501869905 3244519 CC(C1=CC=CS1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.44 1 2 -1.27144233301491 3244518 CC1=C(C=C(C=C1)NC(=O)CN2C=CC=C2)Cl 1 2.916 2 1 -3.85909339061038 3244517 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.66 2 3 -7.47526395295178 3244516 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.856 5 3 0 -25.2420786831873 3244515 CC1=CC=CN2C1=NC(=C2)CNC(=O)C3CCCCC3 1 2.525 3 1 -10.5873603274663 3244514 C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCC4(CC3)OCCO4 1 2.87 2 4 -12.4035197928183 3244513 CCN(CC)C1=CC=C(C=C1)C2CC(=O)NC3=CC(=C(C=C23)OC)OC 1 3.386 2 3 -13.0793842615919 3244512 C1=CC(=C(C(=C1)Cl)CSCC2=CC=C(O2)C(=O)O)F 1 3.935 0 3 -8.62855170386417 3244511 CCCC(=O)C1=CC2=C(C=CC(=C2)Cl)OC1=O 1 3.377 0 3 -7.44460270074823 3244510 CC(=O)N1C(OC(=O)C2=CC=CC=C21)C3=CN=CC=C3 1 1.462 2 3 0 -4.79499063040883 3244509 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC(=O)OC)NCC(=O)OC)C 1 2.14 3 6 0 -19.1155847462568 3244508 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2C(=CC(=N2)C(F)(F)F)C 1 1.892 4 3 0 -13.0708881389188 3244507 CC1=C(C=C(N1CC(=O)N2CCN(CC2)C3CCCC3)C4=CC=CC=C4)C(=O)C 1 3.449 3 2 -5.13601204530269 3244504 CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4 1 3.833 4 3 0 -10.8822106535944 3244503 CC(C)C(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)OC(C)(C)C 1 2.091 4 5 0 -23.459110019125 3244501 CCOC1=CC=C(C=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.476 2 5 0 -18.1154979969463 3244500 CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O 1 1.702 2 5 0 -13.6770597224093 3244499 CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CN3 1 -0.344 4 5 0 -15.0429146202376 3244498 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCCC2=CC=C(C=C2)C 1 2.314 2 3 -23.5889278151754 3244496 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(C)CC(=O)N3CCC4=CC=CC=C43 1 2.208 3 3 -15.163266132817 3244495 C1CCN(CC1)CC2=CN3C(=NN=C3S2)C4=CC(=CC=C4)Br 1 3.793 4 0 5.339484793675 3244494 C1CCCC(CCC1)NC(=O)C2=CC3=C(C=C2)S(=O)CC(=O)N3CC4=CC=C(C=C4)F 1 4.04 2 3 -9.06854934017512 3244493 CC1=NC=C(C2=C1OC(=NC3=CC=CC=C3)C(=C2)C(=O)N)CO 1 1.226 3 3 0 -1.44152383690822 3244492 CC1=CC(=CC=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCC(=O)NCC4=CC=CO4 1 3.44 3 4 0 -14.8867849337487 3244491 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=NN=C(N2C)SCC(=O)OCC 1 2.521 4 6 0 -28.0194828737992 3244490 CC(=O)C1=CC(=CC=C1)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)OC 1 2.105 2 4 -4.49742023108838 3244489 COC1=CC(=C(C=C1)OC)NC(=O)CN2C=CC=C2 1 1.733 2 3 0 -6.95225967003323 3244487 CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC=CN4C 1 4.358 7 1 0 -25.1575314721614 3244486 C1=CC2=NC=C(C(=O)N2C=C1)C(=O)NCC3=CC=CS3 1 0.253 3 2 0 -17.4653436607818 3244485 C1COC2=C(O1)C=C3C(=C2)NC=C(C3=O)C(=O)C4=CC=CC=C4 1 2.363 1 4 -4.04257070931951 3244484 C1=CC(=CC=C1CCNC(=O)CNC=O)Cl 1 0.923 2 2 0 -8.06620291560933 3244482 CCOC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)Cl 1 2.999 2 2 -6.58952872525534 3244481 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)OC(=O)N4CCOCC4 1 2.77 5 4 0 -14.4672649399192 3244479 CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCC3CCCO3 1 2.472 1 5 -11.6823617454383 3244478 CCOC(=O)C1=C(N(N=C1)CCOC(=O)C(C)(C)C)NC(=O)C(C)(C)C 1 2.861 3 5 0 -19.2144405542272 3244477 CC1=CC2=CC=CC=C2C(=O)N1 1 1.24 1 1 0 -6.52668313031277 3244476 CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=CS2 1 2.049 2 2 -7.38592462660734 3244472 C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4 1 0.729 2 5 0 -12.3039567966236 3244469 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(N3C)SCC4=CC=C(C=C4)F 1 4.046 4 3 0 -8.0561028911904 3244468 CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)CC4=CC(=O)NC(=O)N4 1 2.205 6 4 0 -29.6447398418939 3244466 C1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F 1 1.347 3 3 0 -14.1997902699383 3244464 C1=CN(C=C1)C2=CC=C(C=C2)CC(=O)NCC3=CC=CS3 1 3.272 2 1 -11.4412060378725 3244463 C1CCC2=C(C1)C(=NO2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.139 3 2 -8.98364935397317 3244461 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3CCCCC3 1 3.875 1 4 3.04658243960891 3244460 CCOCCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.101 4 4 0 -23.5518825080378 3244456 CCOC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCC4(CC3)OCCO4 1 2.334 2 6 0 -25.0698131400932 3244455 CN(C(C1=CC=C(C=C1)OC)C(=O)NC2=CC=C(C=C2)OC)C(=O)C3=NC=CN=C3 1 1.693 4 4 0 -12.0358603856313 3244454 CC1CCN(CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C 1 0.817 4 4 0 -20.876382994153 3244453 CCC(=O)N1CC(=O)NC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)Cl 1 3.118 2 2 -15.3723697439397 3244452 COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O 1 1.938 1 5 0 -5.05340867726266 3244451 C1CN(CCN1CCO)C(=O)C2C3CC(C2C(=O)O)C=C3 1 -3.495 2 4 0 -2.4345729428558 3244448 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)C)C 1 3.077 4 2 -11.970495002069 3244447 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4 1 1.884 4 3 0 -13.1478609689296 3244446 C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C(=O)C4C5CC(C4C3=O)C=C5 1 1.575 3 3 0 -5.91103249909812 3244443 CCN(CCCNC(=O)C1CCC(=O)N1CC2=CC=C(C=C2)F)C3=CC=CC(=C3)C 1 3.527 3 2 -12.7153341298773 3244442 CCCCCNC(=O)CCCCN1C(=O)C2=CC(=C(C=C2NC1=O)OCC)OCC 1 3.305 3 5 0 -22.5570165195211 3244441 CCOC(=O)C1=C(N(N=N1)CC(=O)NC2=CC=C(C=C2)C)C(=O)OCC 1 2.263 4 5 0 -17.9152613196742 3244440 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OCO4 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CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=CC=C3 1 2.684 3 3 -19.3550861563142 3244425 CCN1C(=C(SC1=S)C(=O)NCC2CCCO2)N 1 1.352 3 2 0 -13.2436388541518 3244422 CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CSC2=NC=NN2 1 1.785 4 4 0 -19.605031904867 3244421 CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)OC(F)F)OC)C)C3=CC=CC=C3 1 3.643 2 5 0 -17.1700130485959 3244420 COCCN1C(=O)C2=C(NC1=S)N=CC=C2 1 1.399 3 2 0 -4.94128738993351 3244419 CC1=CC(=NO1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.425 3 2 -14.7257495553143 3244418 CC(=O)C1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.513 2 3 -1.81879144882256 3244416 CC(C)C1C(=O)N2C(=N1)C3=CC=CC=C3N=C2SCC#N 1 3.025 4 1 -14.856390567795 3244415 C1C(=O)N(C2=CC=CC=C2S1)CC3=CC=CC=C3F 1 3.173 1 1 -5.31961227519996 3244414 CCOCCCNC(=O)C1CCC(=O)N1CCC2=CC=CC=C2 1 1.215 2 3 0 -17.6954455803065 3244413 CC(C1=CC=CC=C1)NC(=O)C2=NOC(=C2)C3=CC=CC=C3OC 1 3.675 2 3 -9.70112451630476 3244412 CC1=NC(=CC=C1)NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4 1 2.213 4 4 0 -20.046067770364 3244411 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=CC=C3)OC(=O)C4=CC=CO4 1 3.94 4 4 0 -12.8286845921188 3244410 C1=COC(=C1)CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl 1 3.16 2 3 -5.69711161870784 3244409 CC1=CC(=NN1CNC2=NC(=CS2)C(F)(F)F)C 1 2.243 4 0 -2.01887183427389 3244408 C1CN(CCN1CC(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)F 1 2.688 3 3 -13.5354935873041 3244407 CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=C(C=C(C=C3)F)F 1 3.481 2 3 -5.98934420568019 3244406 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CN=CC=C2 1 0.355 3 3 0 -25.8545639398859 3244405 CCCN(C1=CC=C(C=C1)C(C)C)S(=O)(=O)C2=C(ON=C2C)C 1 3.472 2 3 -7.89031446089556 3244404 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4CCCO4 1 1.476 3 5 0 -25.7661796462961 3244403 CCN(CC)CCNC(=O)C1=CC2=C(C=C1)N(C=N2)C3CCCCC3 1 3.454 4 1 -12.4460072285582 3244402 C1COCCN1C(=O)CC2=COC(=N2)C3=CC=C(C=C3)F 1 1.422 2 3 0 -1.57079717207004 3244401 C1=COC(=C1)C2=CC(=NO2)C(=O)NCC3=CC=C(C=C3)F 1 2.914 2 3 -6.12219201422572 3244400 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)NC3=CC=CC=C3SC 1 3.832 2 3 -6.29117124034124 3244399 C1CN(CCC1C(=O)N2CCOCC2)S(=O)(=O)N3CCOCC3 1 -1.778 3 5 0 -15.1876452854592 3244398 CC1=NC2=NN=NN2C(=C1)N3CCN(CC3)C4=CC=CC=C4 1 1.849 7 0 0 -6.79768869034344 3244397 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)N2CCOCC2)C3=CC=CO3 1 1.329 2 5 0 -19.3729133327029 3244395 CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CS3 1 0.957 4 3 0 -19.8634685450509 3244394 CCC1=C(SC(=C1C#N)NC(=O)C2=NOC(=C2)C)C 1 2.396 3 2 -19.1255872726912 3244393 CN1CC(=O)N=C1NC(=O)NC2=CC3=C(C=C2)SCC(=O)N3C 1 0.216 5 3 0 -11.6763730407996 3244392 COC1=CC(=C(C=C1)Br)C(=O)N2C(=C(C=N2)C(=O)OC)N 1 1.893 3 4 0 -7.89537295590474 3244391 C1CN(CCC12OCCO2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5 1 2.291 3 3 -10.0833271620181 3244390 CCOC(=O)C1=C(C(=C(S1)C(=O)OCC)OCCO)OCCO 1 1.371 0 8 0 -4.66730437273075 3244388 C1C2C=CC1C3C2C(=O)N(C3=O)CNC(=O)NC4=NC=CS4 1 -0.146 4 3 0 -6.90088284880593 3244387 CC1=CC(=C(C=C1)NC(=O)CCN2C(=CC(=N2)C)C)C 1 2.765 3 1 -16.3365045836497 3244386 CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)C3=NOC(=C3)C4=CC=CO4 1 3.569 4 3 0 -5.69598205053713 3244385 C1CC2=[N+](ON=C2C3=NN([N+](=C31)[O-])C4=CC=CC=C4Cl)[O-] 1 -0.669 5 3 0 -1.2672869808993 3244384 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NC4CCCCC4)OC 1 3.438 3 5 0 -12.3891639022 3244383 C1CSC2=NC(C(=O)N21)(C(F)(F)F)NC3=CC=CC=N3 1 2.575 4 1 -3.66693760395504 3244382 COC1=C(C=C(C=C1)Cl)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.556 4 5 0 -8.63209529100279 3244381 CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)N4CCCCCC4 1 3.05 2 3 -9.10159202064646 3244380 CC1=CC2=C(O1)C=C3N2C=NN(C3=O)CC(=O)OC 1 1.043 3 4 0 -6.58544108258961 3244379 CC1=C(OC2=C1C(=O)CCC2)C(=O)NCC3=CC=CC=C3 1 2.894 1 3 -9.86367407731186 3244378 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 1.189 5 4 0 -14.6877784003078 3244377 CC1=CC=C(C=C1)N2CCN(C2C3=CC=CC=N3)C4=CC=C(C=C4)C 1 5.66 3 0 -4.39974808899677 3244376 C1CC2=C(C1)SC(=C2C#N)N3C(=O)C4C5CC(C4C3=O)C=C5 1 2.279 2 2 -7.28319494390731 3244375 CC1=CC=C(C=C1)CN2C(CCC2=O)C(=O)NC3CCCC3 1 2.502 2 2 -10.6799780886522 3244374 COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCC3=CC=CO3 1 1.462 3 4 0 -11.2441836166282 3244373 C1CN(CCC12OCCO2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NCC4=CC=CC=C4 1 2.008 2 5 0 -23.9977592135319 3244372 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NOC4=C3CCCC4 1 3.304 3 3 -19.0048515985433 3244371 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=NC=CS3)C 1 1.683 3 4 0 -23.5090071161121 3244370 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 3.085 4 2 -4.09923777399028 3244369 CCC1=C(N=C(NC1=O)SCC(=O)NCC2=CC=CO2)O 1 1.621 3 4 0 -22.4723131493009 3244368 CC1=NC2=CC=CC=C2C(=O)N1NCC3=CC=CS3 1 1.866 3 1 0 -10.1407475037848 3244367 CC1=CC2=C(C=C1)OCC(=O)N2CCC(=O)NCC3CCCO3 1 0.978 2 4 0 -18.2522834155676 3244366 CN1CCN(CC1)CCCNC(=O)C2CC(=O)N(C2)C3CCCCC3 1 0.749 4 2 0 -14.9429706660351 3244364 COC1=NC(=C(C=C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)OC 1 3.838 2 3 -7.76712264683852 3244363 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)NCC3=CC=CO3 1 2.479 2 4 -6.17358960302992 3244362 CC(=O)C1=CC=C(C=C1)NC(=O)C2=NOC3=C2CCCCC3 1 3.076 2 3 -15.3784859348692 3244360 C1CCN(C1)CCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S 1 2.654 4 2 -4.14497152721514 3244359 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC=CC5=CC=CC=C54 1 3.243 3 3 -9.34310508916065 3244358 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(C=CC(=C3)Cl)OC 1 2.516 3 3 -8.93206102222904 3244355 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NCCC3=CCCCC3 1 3.059 2 4 -31.5346283692041 3244354 CC(C(=O)OC)N1C=NC2=C(C1=O)N=NN2C3=CC=C(C=C3)OC 1 1.443 5 4 0 -9.47522833227458 3244353 CCOC1=CC=CC2=C1OC3(CC2NC(=O)N3C4=CC(=CC=C4)Cl)C 1 3.776 2 3 -1.2770945149168 3244352 C1CN(C(=N1)SCC2=CN=CC=C2)C(=O)COC3=CC=CC=C3 1 2.576 3 2 -12.9337199853341 3244351 CC1=CN=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=C(ON=C3C)C 1 1.9 4 5 0 -16.4555488968803 3244350 CN(C)C(=O)N1CCCC(C1)C(=O)NCC2=CC=CC=C2Cl 1 1.844 3 2 0 -14.2193963826624 3244349 C1CCC(CC1)NS(=O)(=O)C2=COC(=C2)C(=O)N 1 0.996 2 4 0 -8.61700231967028 3244348 CCOC(=O)N1CCN(CC1)C(=O)C2=CN=C3N(C2=O)CCS3 1 6.2e-002 4 4 0 -14.1174560952985 3244347 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(C=CC(=C3)OC)Br 1 2.6 3 3 -9.54280709743123 3244346 CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NCC3CCCO3)Br 1 1.249 2 4 0 -15.5681843116926 3244345 CCSC1=NC2=C(C3=C(C=CC(=C3)Br)N=CO2)N=N1 1 3.925 4 1 -2.3839741259187 3244344 CC1=CN=C(C=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 2.246 3 2 -8.44176066829209 3244342 COC1=CC2=CC3=C(N=C2C=C1)OC(=C3)C(=O)N4CCC(CC4)C(=O)N 1 1.682 3 4 0 1.29397788771518e-002 3244341 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCCOCC 1 0.338 2 4 0 -29.6721363099682 3244340 CCN(C1=C(C=CC(=C1)OC)OC)C(=O)CC2=C(NC3=CC=CC=C32)C(=O)O 1 3.386 2 5 0 -8.18762497331071 3244337 CC(C)CCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=CC=C2 1 2.541 3 2 -14.0539882797941 3244336 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)NC1=S 1 1.578 3 4 0 -17.9955178252112 3244335 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3 1 2.311 2 5 0 -16.9891307182154 3244334 CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=NC=C4)C(=O)OCC=C 1 2.59 4 2 -20.0851953215873 3244332 COC1=CC=C(C=C1)N2CCN(CC2)C(CNS(=O)(=O)C3=CC=CS3)C4=CN=CC=C4 1 2.74 4 3 0 -15.0815930052158 3244331 CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCCC5=CC=CC=C54 1 3.496 4 1 -5.92742530352342 3244329 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCCC4=CC=CC=C4 1 2.794 4 3 0 -17.7452135287541 3244328 CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)N)C3=CN=CC=C3 1 2.02 5 2 0 -13.2636378176618 3244279 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 0.617 4 4 0 -13.772746082476 3244280 CC1=C(C=C(C=C1)Cl)NC(=O)C2=C(N=CO2)C 1 2.236 2 2 -12.1173660994723 3244281 CN(CCC1=CC=CC=N1)S(=O)(=O)C2=CC=C(C=C2)F 1 2.048 2 2 -5.41443725755053 3244282 COC1=CC(=CC(=C1OC)OC)C(=O)NCCC(=O)NCCN2CCOCC2 1 0.123 3 6 0 -21.8550225460253 3244283 COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.66 2 5 0 -7.78083035343239 3244284 CCOC(=O)C(C1=CC=CC=C1)(C(F)(F)F)NC(=O)N2CCCCC2 1 3.237 2 3 -7.79477557884954 3244285 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)N3CCCCCC3 1 3.548 1 3 -6.958078437525 3244287 CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)N)C 1 2.664 2 2 -3.04562474197864 3244289 CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)C)C2=CC=CC=C2)C#N 1 2.535 2 3 -32.1692973591538 3244290 COC(=O)C1(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 1.75 2 4 0 -3.04644241888252 3244291 COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)C3=CC(=CC(=C3)OC)OC 1 2.689 4 4 0 -15.5849854567178 3244292 CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCC3(CC2)OCCO3 1 0.328 2 5 0 -24.5208459436611 3244293 CC1=NC2=C(N1C3=CC(=CC=C3)F)C=CC(=C2)C(=O)NCCOC 1 2.671 3 2 -7.96732750770177 3244327 CCCCNC(=O)C1=NOC(=C1)C2=CC=C(C=C2)OC 1 3.042 2 3 -8.14591098438522 3244326 CC1=CC=C(C=C1)C2N3CCCC3C(=O)N2C4=NC=CS4 1 2.844 3 1 -2.42087501988981 3244325 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC3=NSN=C32)C 1 3.904 3 2 -5.91364116053214e-002 3244324 CCN(C1=C(C=CC(=C1)OC)OC)C(=O)CCC2=NC(=NO2)C3=CC=CC=C3F 1 3.208 3 4 0 -11.4140522240506 3244321 COC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3 1 1.125 3 4 0 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CC1=CC=C(O1)CNC(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)CC(C)C 1 2.17 2 5 0 -15.7904520925911 3244238 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)C3=CC=CC=C3 1 1.917 4 2 0 -8.33446896080722 3244235 CC1=C(C(=NN1)C)S(=O)(=O)N2CCN(CC2)C3CCCCC3 1 1.634 4 2 0 -10.6508063374425 3244234 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CCN3C(=O)C4C5CC(C4C3=O)C=C5 1 1.918 3 3 0 -5.61433517641334 3244232 CN1CCN(CC1)CCCNC(=O)C2CC(=O)N(C2)CC3=CC=C(C=C3)OC 1 0.458 4 3 0 -14.0012640266681 3244231 CCN(CC)CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=CC(=C3)OC)OC 1 2.836 4 4 0 -13.379609744341 3244229 C1COC2=C(O1)C=CC(=C2)NC(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O 1 3.314 2 5 0 -8.16500702775657 3244228 CC1CN(CC(O1)C)C2=CC(=O)N(C(=O)N2)C3=C(C=CC(=C3)Cl)C 1 3.112 3 3 -4.12572434835161 3244227 CC1CC(CN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3OC)C 1 1.764 3 4 0 -19.8932120705507 3244226 CCOC(=O)C1CCN(CC1)C(=O)C2=C3N=C(C=C(N3N=C2)C)C 1 0.758 4 3 0 -17.6017341511599 3244225 CC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)C3=CC=CC=C3F 1 3.261 3 2 -2.9115377400663 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CC1=NC(=NC(=O)C1)SCC(=O)NC2=CC=C(C=C2)OC 1 1.821 3 3 0 -11.095489447316 3244209 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl 1 4.012 4 4 0 -5.96876653398597 3244208 C1CC2C(=O)N(C(N2C1)C3=CC=C(C=C3)Cl)C4=CC=CC=N4 1 3.413 3 1 -0.334189649281688 3244207 CC1=NC2=C(N1C3CCCC3)C=CC(=C2)S(=O)(=O)N4CCC(CC4)C(=O)O 1 2.433 3 4 0 -19.2097287578102 3244206 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C 1 1.48 2 5 0 -24.3433267818873 3244205 CC1CCN(CC1)CCCNC(=O)C2CCC(=O)N2CC3=CC=C(C=C3)C 1 2.47 3 2 -15.4807489978953 3244202 CN(C1CCCCC1)C(=O)CN2C3=C(C=C2C(=O)OC)OC=C3 1 2.995 2 4 -9.55008318439388 3244201 CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)F)N4CCN(CC4)C(=O)C5=CC=CO5)O 1 2.962 5 3 0 -5.76311295759662 3244199 CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)NCC4=CN=CC=C4 1 2.685 4 2 6.85947112966057 3244197 CCOC(=O)C(C)SC1=NN2C(=NN=C2C3=CC=C(C=C3)F)C=C1 1 3.604 4 2 -7.78215438084482 3244194 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC 1 -0.186 3 5 0 -19.5570564315293 3244192 C1CN(CC2=CC=CC=C21)CCNC(=O)CCN3C4=CC=CC=C4OC3=O 1 2.651 3 3 -14.9215635447694 3244191 CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl 1 0.203 4 4 0 -12.8634103425986 3244188 CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCC 1 3.901 4 2 -15.0987878429961 3244187 CC1=NC2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)N1C4=CC=C(C=C4)OC 1 3.61 4 2 -2.88809887960003 3244186 C1COCCN1CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 2.451 2 5 0 -12.3102137644257 3244184 CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=C(N2)CCC3 1 3.397 3 2 -18.9676989715346 3244183 CC(=O)NC1=C(C=CC(=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.347 1 5 -12.0747473690868 3244182 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCCCN4CCCC4=O 1 0.64 3 6 0 -26.4194261198455 3244181 COC1=CC(=C(C=C1)C2=NN(C(=C2)N)CCC#N)OC 1 1.75 4 2 0 -3.58780093680857 3244180 CC1=C(OC=C1)C(=O)NC(CCSC)C(=O)O 1 1.212 1 4 0 -18.7659168388011 3244179 C1CN(C(=O)N1)CC2=CC=CC=C2F 1 1.183 2 1 0 -11.3587758113543 3244178 COC1=C(C=C(C=C1)C2=NOC(C2)C(=O)NCC3=CC=C(C=C3)F)OC 1 2.561 2 4 -9.31517027879479 3244177 CC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C2CCCCC2 1 2.535 3 2 -18.5663978080793 3244176 CC(C(C1=CC=CS1)N2CCN(CC2)C)NC(=O)C3=CC=CC=C3OC 1 2.954 3 2 -6.6292561865824 3244175 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 1.72 3 5 0 -3.76612024102723 3244173 CC(C)C(C(=O)NCC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 2.112 3 4 0 -29.8084697959292 3244171 CC1=C(SC2=C1C(=O)N3CCCCC3=N2)C(=O)N4CCN(CC4)C5=NC=CC=N5 1 1.476 6 2 0 -14.2634932423986 3244170 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(SCC3=O)C4=C(C=C(C=C4)OC)OC 1 2.299 3 4 0 -19.5948787564532 3244169 CC1=C(C=C(C=C1)C(=O)NC2CCCCCC2)N3CCCC3=O 1 3.42 2 2 -14.847544608742 3244168 CN1C=C(C2=CC=CC=C21)C(C(=O)OC)(C(F)(F)F)O 1 2.537 1 3 -3.19520523747761 3244167 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NCC3=CC=CS3 1 1.943 2 2 0 -21.72136991845 3244165 CC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.431 2 4 -12.3015177155478 3244164 COC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2C3CCCC3)C4CCCCC4 1 3.494 2 3 -7.91372263995963 3244163 COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NC4=CC5=C(C=C4)OCO5 1 3.346 2 5 0 -3.2358710775188 3244162 CCOC(=O)C1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)C 1 0.95 2 6 0 -16.7972697745331 3244161 CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CC(=O)OC)Br 1 1.212 1 5 0 -14.0662114434589 3244160 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)NC3CCCC3)OC 1 1.447 3 5 0 -16.4209107817579 3244159 CC1=NC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)O2 1 2.059 2 3 -3.71255582703385 3244158 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CN4C=CSC4=N3 1 0.797 3 4 0 -9.9595323775825 3244153 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3CCCCCC3 1 2.731 2 4 -12.5283052686407 3244152 C1CCCN(CC1)CCCNC(=O)C2CC(=O)N(C2)C3CCCC3 1 1.709 3 2 0 -16.6369774300967 3244151 COC1=CC=C(C=C1)C(C2=NC=CN2CC3=CC=CC=C3)O 1 2.797 2 2 -6.8098997176804 3244150 C1=CC=C2C(=C1)C=NN2CCC#N 1 1.658 3 0 0 -3.76985781469386 3244149 CCN(CCCNC(=O)CN1C(=O)COC2=CC=CC=C21)C3=CC=CC=C3 1 2.107 3 3 -14.4353996249568 3244147 COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.257 2 6 0 -19.9357205831226 3244143 CCN(CC)C(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CC4=CC5=C(C=C4)OCO5)OCO3 1 3.319 3 6 0 -20.7385299000194 3244142 C1CCC(CC1)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br 1 3.351 3 2 -6.92972223129559 3244141 CC1=C(C(=NC2=NC(=NN12)C)C)CCC(=O)NCCC3=CCCCC3 1 2.788 5 1 -23.0452276636691 3244139 C1CCC(CC1)N2CC(CC2=O)C(=O)NCCC3=CCCCC3 1 2.918 2 2 -19.6926712053429 3244138 CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=CC=CC=C1Cl 1 0.47 2 4 0 -16.6231859895736 3244137 C1CC(OC1)CNC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5 1 1.903 2 5 0 -15.8838194031183 3244136 CC1=CC(=O)OC(=C1C(=O)NCC2=C(C=C(C=C2F)F)F)C 1 2.651 1 3 -10.450878740905 3244133 CN1C2=C(C=C(S2)C(=O)NCC3=CC=CO3)C(=N1)C4=CC(=CC=C4)OC 1 3.415 3 3 -5.53842263097689 3244132 CC1=CC=C(C=C1)C2=CC(=NC(=N2)NCC3CCCO3)C(F)F 1 3.582 3 1 -0.676807803624885 3244131 CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C3=C(N2)CCC3)C 1 3.175 3 2 -19.4990734828264 3244128 CC(C1=CC=CS1)N(CC2=CC=CO2)C(=O)NC3=CC(=CC=C3)OC 1 3.708 2 3 -2.68370281702913 3244125 CCN1C(=C(C=N1)C2=NOC(C2)C(=O)NC3=CC(=C(C=C3OC)Cl)OC)C 1 2.158 4 4 0 -13.2234231413827 3244124 CC1=CC=CC=C1CS(=O)(=O)CCC(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4 1 1.062 5 4 0 -11.2669948130707 3244123 CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCC3=CN=CC=C3 1 1.884 3 3 0 4.24408209665104 3244122 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=C(C=C(C=C3)Cl)Cl)O 1 3.79 2 2 -1.54374578712317 3244120 CN(C)C(CNS(=O)(=O)C1=CC=C(C=C1)Br)C2=CN=CC=C2 1 2.089 3 2 -7.60286315322968 3244119 C1COC2=C(N1C(=O)CCC(=O)O)C=C(C=C2)Cl 1 1.468 1 4 0 -8.5167247861704 3244118 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCC(=O)O 1 1.896 2 6 0 -18.7250014841416 3244117 CC(=O)N1C=CC2=C1C=C(C=C2)C(=O)COC(=O)C 1 1.56 1 4 0 -6.89875877445224 3244115 CC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NON=C32 1 1.681 4 4 0 -11.9606038295137 3244113 CCC(C)NC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Br 1 2.047 2 3 -20.4458751197415 3244111 C1=CC=C2C(=C1)NC(C(=O)N2)CC(=O)NCC3=CN=CC=C3 1 0.321 4 2 0 -24.085512753982 3244110 CC1=CC(=NO1)N2C(N3CCCC3C2=O)C4=CC(=C(C=C4)Cl)Cl 1 3.828 3 2 -5.43657677326311 3244108 C1CCCC(CC1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 3.241 2 2 -11.4525449550193 3244107 CCN(C1=CC=CC(=C1)C(F)(F)F)C(=O)CN2C3=CC=CC=C3OC2=O 1 3.679 2 3 -4.09287003396965 3244106 CC1(OC(=O)C(=CNN2C=NC3=CC=CC=C3C2=O)C(=O)O1)C 1 5.3e-002 3 5 0 -5.90704970326575 3244105 CC(=O)NC1=CC=C(C=C1)C2=CN3C=CC=NC3=N2 1 1.252 4 1 0 -3.26713958586909 3244102 CCN1C(=CC2=C1C=C(S2)Cl)C(=O)NCC3=CN=CC=C3 1 3.023 3 1 -6.89150317707836 3244101 C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC(CC(=O)O)C3=CC=C(C=C3)F 1 2.416 3 4 0 -12.4344620129836 3244098 C1CC2=CC=CC=C2N(C1)C(=O)CN3C4=C(C=N3)C(=O)OC5=CC=CC=C54 1 3.264 3 3 -13.3702463047105 3244097 COC1=CC=CC2=C1OC(=O)C(=C2)NC(=O)C3CCCCC3 1 2.834 1 4 -3.42817221932577 3244096 CN1C(=O)NC(C(C1(C(F)(F)F)O)C(=O)C2=CC=CS2)C3=CC(=CC=C3)O 1 2.779 2 4 -2.07003488256247 3244095 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3CCC(CC3)C(=O)NCCC4=CC(=C(C=C4)OC)OC 1 4.303 3 4 0 8.76363432525539 3244094 CC1=CC=C(C=C1)CNC(=O)CN2CCN(C2=O)CC3=CC=C(C=C3)Cl 1 2.977 3 2 -12.7253502451512 3244093 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=CN3C4=CC=CC=C4 1 2.994 3 3 -12.9176189060876 3244092 CCCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC 1 2.269 2 2 -15.5869975159773 3244089 CCN(CC)CCCN1C(=O)C2=C(C=C(C=C2)Cl)NC1=S 1 3.705 3 1 -1.97851213889397 3244088 C1CC1(C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.121 2 5 0 -3.77545860048472 3244087 C1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCC4=CC=CO4)O 1 2.159 3 4 0 -9.53628909992839 3244086 COC1=CC=CC(=C1)NC(=O)CSC2=NC=CN2C3=CC(=CC=C3)OC 1 3.186 3 3 -7.5805159739997 3244085 C1C(=O)N(C(S1)C2=CC(=CC=C2)F)C3=CC=CC=C3F 1 3.65 1 1 -8.85227440833527 3244083 CC1=CC(=NO1)NC(=O)CCCN2C(=O)C3=C(C2=O)N=CC=C3 1 0.484 4 4 0 -16.9225782605762 3244078 C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)C3=CC=CC=C3)C4=CN=CC=C4 1 3.473 4 1 -13.4358644969881 3244077 CCOC1=C(C=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C)OC 1 1.085 2 5 0 -23.3973779535431 3244076 CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3 1 2.272 3 4 0 -12.1658954457411 3244074 COC1=CC(=C(C=C1)NC(=O)CNS(=O)(=O)C2=CC=CC3=NON=C32)OC 1 0.914 4 6 0 -15.735360841489 3244073 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3C(=CC(=N3)C)C 1 2.407 3 3 -15.4534392842874 3244072 CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=CC=C2OC(F)F 1 1.993 2 4 0 -2.50582617179099 3244071 C1=CC=C(C=C1)COC(=O)CN2C3=C(C(=O)N(C2=O)CCC(=O)NCC4=CC=CO4)SC=C3 1 2.293 3 6 0 -23.3051994362987 3244070 CCN(CCCNC(=O)C1=C(C(=C(N1)C)C(=O)C)C)C2=CC=CC(=C2)C 1 3.503 3 2 -9.94252713232313 3244069 CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=C(C=C(C=C2)F)Cl 1 1.852 2 3 0 -20.5852947293742 3244067 COC(=O)C1=CC2=C(N1CC3=CC(=O)N4C=CC=CC4=N3)SC=C2 1 1.761 3 3 0 -14.126820500814 3244066 CN(CCC#N)C(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)F 1 1.922 3 3 0 -10.2531062901211 3244063 CC1CCCCN1CCNC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 2.146 4 2 -11.4250153068217 3244062 CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)N 1 -0.941 3 3 0 -6.67938539167081 3244061 CC(C)OCCCNC(=O)C1=CC=C(C=C1)NC(=O)C2CCCO2 1 1.149 2 4 0 -23.5634739474587 3244060 C1CCC(=CC1)CCNC(=O)CN2C(=O)C3=CC4=CC=CC=C4N3C=N2 1 3.183 4 2 -13.0405058398397 3244059 C1C2CS(=O)(=O)CC2N(C1=O)C3=C(C=C(C=C3)Cl)Cl 1 1.824 1 3 0 -4.59722061100443 3244058 COC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 1.8 3 5 0 -16.8245853288903 3244057 CC1=CC=CC=C1CNC(=O)NC2=CC=CS2 1 2.802 2 1 -8.28380156760707 3244055 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)NC2=C(C=C(C=C2)OC)OC 1 -0.339 3 6 0 -17.3122280682039 3244053 C1CN(CCC1NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)CC4=CC=CC=C4 1 2.621 3 2 -7.26484067827223 3244051 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCC(=O)N3CCCCC3 1 1.268 3 3 0 -10.8407682587111 3244050 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CCC(=O)O 1 1.457 3 3 0 -14.0587419388425 3244049 C1=CC=C2C(=C1)C(N(C(=O)N2)C3=CC(=C(C=C3)Cl)Cl)(C(=O)NCC4=CC=CO4)O 1 3.488 3 4 0 -7.41608287756655 3244045 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC3C(=O)NCCCN4CCCCC4 1 1.99 6 2 0 -15.1744451076106 3244043 COC1=CC=CC(=C1)C2=NOC(C2)C(=O)N3CCC4(CC3)OCCO4 1 1.06 2 5 0 -8.79084865258266 3244042 CCOC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC=C 1 2.205 1 3 -16.135775044625 3244041 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCNC(=O)C 1 2.397 4 4 0 -24.5034211625444 3244038 CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CN=CC=C3 1 1.197 3 2 0 -13.9697597753831 3244037 CC1CCCCN1C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NCC4=CN=CC=C4)C 1 1.721 5 3 0 -27.0859428896784 3244036 COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCCC3)N4CCOCC4 1 3.673 3 5 0 -12.2164940919835 3244033 CN(CC(=O)NCC1=CC=CS1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 1.458 4 3 0 -16.2106136784844 3244032 CSC1=C(C(=CC(=N1)C2CC2)C3=CC=CS3)C#N 1 4.151 2 0 -9.1581633495351 3244030 CCC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=CC=C2Cl 1 3.498 2 2 -11.0444551833201 3244029 CCC1(CC2=C(CO1)C(=O)N(C(=C2C#N)N)C3=CC=CC=C3)C 1 1.983 3 2 0 -3.9215012032802 3244028 C1=CC=C2C(=C1)NC(=NS2(=O)=O)CCCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.022 4 5 0 -23.1181358317587 3244024 C1CC2C(=O)N(C3=CC(=CN=C3N2C1)Cl)CC(=O)NCC4=CC5=C(C=C4)OCO5 1 1.445 4 4 0 -11.1498431079751 3244023 CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)OCCO4 1 0.996 4 5 0 -14.164877001676 3244021 CC1=CC=CC=C1N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4CCCO4 1 1.92 3 5 0 -26.4785966400324 3244019 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 1.546 3 7 0 -15.5683563383133 3244018 CC1=CC(=NC=C1)NC(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C 1 2.215 3 2 -6.628485787933 3244014 CC1=CC(=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C)C 1 2.193 3 4 0 -11.9531004845188 3244010 CSC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C4=CC=CS4 1 4.36 3 1 -6.94803302730893 3244009 CCOC1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=C(ON=C3C)C 1 2.86 3 5 0 -18.1123910279764 3244005 CC1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C 1 3.345 3 2 -12.0858671400199 3244003 C1CC(CN(C1)C2=NC3=CC=CC=C3O2)C(=O)NCC4=CC=CS4 1 2.578 3 2 -12.8862963231145 3243999 CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)NCC2=CN=CC=C2)C 1 2.246 3 3 -12.4734691984164 3243996 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)O)C 1 3.213 1 5 -12.6068905047755 3243995 CN1CCN(CC1)CCCNC2=NC3=CC=CC=C3C4=NC(=NN42)C5=CC=CC=C5 1 2.97 7 0 0 1.79588398891072 3243994 CC1CCC(CC1)N2CC(=O)N(C(C2=O)C3=CC=C(C=C3)C)C4CC4 1 3.336 2 2 -9.28430058348725 3243993 CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 1.773 2 5 0 -5.17765639900332 3243992 CCCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CCCOCC)C3CCCCC3)OC 1 3.228 2 5 0 -16.5591217823668 3243991 C1CN(CC2=CC=CC=C21)C(=O)CC(C(=O)N3CCC4=CC=CC=C43)N5C=CN=C5 1 2.147 4 2 -26.0466750622446 3243989 CC(C)CCNC(=O)CCCOC1=CC(=O)N(C2=CC=CC=C21)C 1 2.356 2 3 -16.7854002792456 3243987 CN1C2=C(C=C(C=C2)Cl)C(=CC1=O)SCC(=O)N3CCCC3 1 2.095 2 2 -5.33434412022244 3243986 CCCCOC1=CC=CC=C1C2CC(=O)NC3=C2C(=O)CCC3 1 2.862 1 3 -19.3295300821868 3243985 C1=CC=C2C(=C1)C=CN=C2C3C(=O)C4=CC=CC=C4C3=O 1 3.005 1 2 -3.28239001652166 3243984 CCCOC1=CC2=C(C=C1)OC(=O)C3=C2CCCN3C(=O)CN4CCN(CC4)C(=O)C5=CC=CO5 1 2.56 3 6 0 -14.5544994965723 3243982 CC1CCN(CC1)C(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC4=CC=CC=C4 1 3.315 3 3 -11.7254640081974 3243981 C1CCC(CC1)CCC(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)F 1 3.836 3 3 -9.09797267711815 3243980 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54 1 3.562 5 3 0 -11.8922682221658 3243979 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N3CCC(=CC3)C4=CC=CC=C4 1 3.047 3 2 -9.17317644278739 3243978 CCN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)N(C)CC3=CC=CC=C3 1 2.174 3 3 -11.2619065293899 3243976 COC1=CC=CC(=C1)NC(=O)N2CCC(CC2)(C(=O)N)N3CCCCC3 1 1.087 4 3 0 -7.35845718470254 3243975 CC1=CC(=CC=C1)NC(=O)CC2C(=O)N=C(S2)NC3CCCCC3 1 3.67 3 2 -9.71316004836555 3243974 CC1=C(C(=NN1)C)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)N 1 2.234 7 1 0 -11.4150139530806 3243972 COC1=CC=CC=C1C(=O)N(CN2CCCC2=O)C3=CC(=CC=C3)Cl 1 3.104 2 3 -14.175005900198 3243970 C=CCNC1=NC(=NC(=N1)N2C=CN=C2)C3=CC=CC=C3 1 2.23 6 0 -0.751599988253794 3243969 COC1=CC(=C(C=C1)OC)C2=NOC(C2)C(=O)NC3=CN=CC=C3 1 1.198 3 4 0 -6.21272605345442 3243968 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C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5CCCC5 1 4.773 4 2 -10.5985462800234 3243947 C1CN(CCC12OCCO2)C(=O)CCN3C4=CC=CC=C4OC3=O 1 1.124 2 5 0 -10.9834419628187 3243946 CC1CCN(CC1)CCNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 1.449 3 3 0 -17.8574402403031 3243945 C1CCC(CC1)(C(=O)NC2CCCC2)N(CC3=CC=CO3)C(=O)CC4C(=O)NC(=O)N4 1 1.644 4 5 0 -31.0787271632979 3243943 C1C2NC3=CC=CC=C3CN2C(S1)C4=CC=CC=C4Cl 1 4.61 2 0 -7.64331333575486 3243941 CC1=CC=CC=C1N2C(=C3CSCC3=N2)NC(=O)C4=C(ON=C4C5=CC=CC=C5Cl)C 1 5.18 4 2 -12.5560716223781 3243940 C1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 1.923 3 4 0 -17.0182543041349 3243939 CCOC(=O)C1=C(C2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCCC3)N 1 2.474 2 4 -18.9412639068201 3243938 CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=C(C=CC(=C4)OC)OC)C(=O)N(C)C 1 2.65 4 3 0 -16.9468062570768 3243937 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4CCOCC4)C(=O)NCC5=CC=CC=C5 1 1.172 6 3 0 -26.1775789861903 3243936 COC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)C3=CC=CS3 1 3.25 2 3 -9.93219574909234 3243935 CC(C)C1=CC(=C(C=C1)O)NC(=O)C2=NC=NN2 1 1.733 4 2 0 -1.09821758924988 3243934 COC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5 1 3.737 6 2 0 -7.27165739894042 3243933 CN(C)CCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)CCOC)C3=CC=C(C=C3)F 1 2.042 3 3 -6.42125783954227 3243932 CCC1C(=O)N(C2=CC=CC=C2S1)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.803 2 4 -12.0878723053209 3243931 CC1CC2=C(C(=C(N2)C(=O)OC3CCCC3)C)C(=O)C1C(=O)OC 1 3.433 1 5 -10.6546639456089 3243930 COC1=C(C=C(C=C1)C(=O)N(CN2CCCC2=O)C3=NC=CS3)OC 1 1.421 3 4 0 -18.2292588629289 3243928 CC1=C(C(=NC(=O)N1C2=CC=CC=C2)N3CCCCC3)C(=O)C 1 2.358 3 2 -3.90739984460713 3243927 C1CCC(CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3 1 2.407 2 3 -14.9259654742164 3243923 C1=CC(=CN=C1)NC(=O)C2=NOC(=C2)C3=CC=CS3 1 2.109 3 2 -6.94195913265931 3243921 CCOC(=O)N1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2C)NC(=O)CO3 1 0.379 3 6 0 -10.7020825782654 3243920 CCOCCCNC(=O)C1=C(N(C(=C1C)C(=O)OCC)C)C 1 1.745 2 4 0 -14.0084911860543 3243919 C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NCCC(=O)NCC3=CC4=C(C=C3)OCO4 1 0.846 3 6 0 -25.0870929261917 3243918 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCC3=CN=CC=C3 1 0.638 3 3 0 -11.259531831224 3243917 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=NOC(=C3)C4=CC5=C(C=C4)OCO5 1 3.736 4 4 0 -7.09948759493145 3243916 C1CN(CCN1C2=CC=CC=N2)C(=O)CNS(=O)(=O)C3=CC=CS3 1 0.811 4 3 0 -10.23599013837 3243915 CCOC(=O)C1CCCN(C1)C(=O)CNS(=O)(=O)C2=CC=C(S2)Br 1 1.172 2 5 0 -15.5202661853767 3243913 CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=CO3)C4=CC=C(C=C4)OC 1 2.916 3 6 0 -9.36031164567246 3243912 CC1=NC2=CC=CC=C2N1CC(CN3C4=CC=CC=C4N=C3C(F)(F)F)O 1 4.02 4 1 3.30150431428945 3243911 C1CN(CCC1C(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=CS3 1 1.737 2 3 0 -19.0928357301673 3243910 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.242 4 3 0 -4.76322662553049 3243909 CC1=CC=CC=C1NC(=O)NCCCN2CCN(CC2)C3=CC=CC=C3OC 1 3.246 4 2 -8.96516134681666 3243908 C1CCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)O 1 2.96 0 3 -3.39084225578851 3243907 C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)C(=O)NCCCN4C=CN=C4 1 1.302 4 4 0 -5.46778115808946 3243906 COC1=CC(=C(C=C1)C2N3CCCC3C(=O)N2C4=CC=CC=N4)OC 1 2.716 3 3 -3.76139279638364 3243905 CN1C(=CC2=C1N=C3C=CC=CN3C2=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 0.743 5 4 0 -13.9622850281364 3243904 C1CCCC(CC1)N2CC(CC2=O)C(=O)NCCC3=CCCCC3 1 3.375 2 2 -19.6926712053429 3243902 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(O2)C4=CC=CC=C4N=C3C 1 3.119 2 4 -7.5981475790427 3243901 CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=N2 1 4.7e-002 3 3 0 -23.0112325685437 3243900 CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CO3 1 2.879 1 5 -9.18260211297395 3243899 COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4 1 1.354 3 6 0 -21.6960055273104 3243898 CC1CN(CC(O1)C)C(=O)C2=C(N3C=C(N=C3S2)C4=CC=C(C=C4)F)C 1 2.884 3 2 -5.07284140866071 3243897 CCOC(=O)C1CCN(CC1)C2=NN=C(S2)N3CCCC3=O 1 0.645 4 3 0 -11.4766664540631 3243896 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)C3=CC=C(C=C3)Cl 1 2.582 4 2 -5.71682270271106 3243895 COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N3CCCC3)CC4=CC(=O)NC(=O)N4 1 1.118 6 4 0 -24.3860593336864 3243894 COC1=CC=CC=C1CN2C(=O)C3=C(C2=O)C=NC=C3 1 1.278 2 3 0 -5.28474663963285 3243893 CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)NCCN2CCC(CC2)C 1 3.446 3 2 -23.0608649378322 3243892 CC1=CC(=CC=C1)N(C)S(=O)(=O)C2=CC=CC3=NSN=C32 1 3.137 3 2 -4.36967852591867 3243891 CC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N4C2=NN=N4 1 2.18 6 0 -7.19288681175911 3243890 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)OC)OC 1 1.053 3 6 0 -11.956858930187 3243889 C1=CC=C(C=C1)CNC(=O)CC2=COC(=N2)C3=CC=C(C=C3)F 1 3.112 2 2 -1.76167851647538 3243887 C1CCC(=CC1)CCNC(=O)CCCCN2C(=O)C3=CC=CC=C3NC2=O 1 3.183 3 3 -20.7783948786904 3243886 CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC#N 1 1.159 4 2 0 -22.5202945922904 3243885 CC1=CC(=C(C(=O)N1CC2=CC(=CC=C2)F)C#N)C 1 2.47 2 1 -1.87328261108419 3243883 C1CN(CCN1C2=CC=CC=C2F)C(=O)CC3=CC=C(C=C3)N4C=CC=C4 1 3.989 3 1 -2.91962534303544 3243882 C1CC(OC1)CNC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)N4CCC5=CC=CC=C5C4 1 1.567 4 5 0 -27.4079575918008 3243881 C1CCC2=C(C1)C(=NO2)C(=O)NCC3=CC=CO3 1 2.069 2 3 -16.8925760841466 3243880 CCCC1=NOC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.122 2 1 2.81572421274505 3243879 CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)NCCN(CC)CC)C 1 1.497 5 3 0 -26.4085881860077 3243878 CC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)NS(=O)(=O)C3=CC=CS3 1 3.1 3 4 0 -15.3647976240058 3243876 CCN(CC)S(=O)(=O)N1CCC(CC1)C(=O)NCC2COC3=CC=CC=C3O2 1 0.802 3 5 0 -18.4400376767764 3243875 CN1C=C(C2=CC=CC=C21)C=NN3C=NC4=C(C3=O)C5=C(S4)CCCC5 1 4.27 4 1 -10.4655926125167 3243874 C1CN(CCN1C2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=NC=CC=N5)C6=NC=CC=N6 1 0.586 9 1 0 -1.72381828058823 3243873 COC(=O)CN1C2=CC=CC=C2C(=N1)C3=CC=CC=C3 1 3.333 2 2 -1.74374275034416 3243872 C1CCCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCC3 1 1.873 3 3 0 -12.8210758935279 3243871 C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1C(=O)C3=CC=CO3)C4=CC=CC=C4 1 3.305 2 3 -16.1948263327755 3243870 CC(C)C(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)C3CCCCC3 1 3.249 2 4 -19.2595514556613 3243869 COC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4)OC 1 3.659 3 5 0 -14.4127822567417 3243868 CN(C)C=NC1=C(N=NN1CC2=CC=CC=C2)C#N 1 1.535 6 0 0 -10.1988115470749 3243867 C1CN(CCC1C(=O)O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 1 0.198 4 2 0 -0.266223132657368 3243866 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)N3CCOCC3 1 0.631 3 3 0 -19.3563691996001 3243865 C1CN(CCC1C(=O)N2CCC3=CC=CC=C32)S(=O)(=O)C4=CC=C(S4)Br 1 2.838 2 3 -18.0112565794546 3243864 CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=CC(=N1)C)OCC(F)(F)F 1 2.948 3 4 0 -8.36205626206476 3243863 COC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CC=C3OC 1 3.274 2 4 -5.12838268383199 3243861 CC1=NC=C2COC(OCC2=C1OC(=O)C3=CC=CC=C3)(C)C 1 1.92 1 4 0 -7.36089777674844 3243860 COC1=CC(=C(C=C1)OC)C2=CC(=NO2)C(=O)N3CCC4=CC=CC=C4C3 1 3.561 2 4 -9.48844515036672 3243858 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)COC 1 1.486 1 5 0 -2.55908464985807 3243857 C1CCC(CC1)N2C(C3=C(C2=O)C=CC=N3)O 1 1.799 2 2 0 -3.54273253660105 3243856 CC(C)OCCCNC(=O)CCN1C(=O)COC2=CC=CC=C21 1 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CC1=C(C(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CO3)F)C 1 3.468 2 4 -8.12418611657756 3243843 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)C1=O)C 1 2.237 3 4 0 -10.4886859504469 3243842 COC1=C(C=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)NC(=O)C4=CC=CO4)OC 1 3.545 4 4 0 -8.18166287989094 3243841 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC(=C3)OC)OC 1 1.491 3 6 0 -22.1238712047603 3243840 C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)F 1 3.202 3 1 -6.42742484381363e-002 3243839 CC1=CC2=C(C=C1)NC=C(C2=O)C(=O)C 1 1.389 1 2 0 -4.08062388942671 3243838 CC1=C(C(=CC=C1)C)NC(=O)N2CCC(=CC2)N3C4=CC=CC=C4NC3=O 1 2.823 4 2 -10.540636768053 3243836 C1=CC=C(C=C1)CCC2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4 1 3.27 4 2 -5.9173947871159 3243834 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N(CCO)CC3=CC=CC=C3)C 1 2.436 2 4 -18.0269043983894 3243833 CC(=O)NC1=NON=C1NC(=O)CSC2=NCCS2 1 0.499 5 3 0 -18.0911205994451 3243832 COC1=CC=C(C=C1)NC(=O)C2=CN=C3N(C2=O)C=CS3 1 0.61 3 3 0 -12.7705520577866 3243830 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CC1=CC=C(C=C1)NS(=O)(=O)C2=CN(C=N2)C 1 1.436 3 2 0 -1.65188850741939 3243800 COC1=C(C=CC(=C1)C2NC(CS2)C(=O)O)OCC3=CC=CC=C3C#N 1 0.341 2 4 0 -20.1374329829984 3243799 CC1=NC2=NN=NN2C(=C1)NCC3=CC=CC=C3Cl 1 2.114 6 0 -12.2656238878088 3243797 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)NC3=CC(=CC=C3)O 1 3.048 2 4 1.31685786907743 3243796 C1CCC(=CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCOCC3 1 0.656 3 4 0 -20.6899895133039 3243795 C1CCCC2=C(CC1)C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)O 1 4.059 3 1 -0.420604311575927 3243794 C1=COC(=C1)CNC(=O)C2=NOC(=C2)C3=CC=CO3 1 1.891 2 4 0 -9.24336220781441 3243793 COCCCNC(=O)CC(C1=CC=CO1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.545 2 5 0 -22.7641492970402 3243792 CCCC1C2=CC=C(N2CCN1C(=O)NC3=CC=C(C=C3)F)C 1 3.747 3 1 -10.0418459787226 3243791 CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCC3(CC2)OCCO3)C 1 1.529 2 5 0 -14.5836632137383 3243790 COC1=CC=CC=C1C2=CC(=NO2)C(=O)NCC3=CC=CC=C3 1 3.297 2 3 -9.13882600034874 3243789 C1=CC=C2C(=C1)C3=NC(C(=O)N3C(=N2)SCC(=O)N)CC(=O)NCC4=CC=CS4 1 1.587 5 3 0 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COC1=CC=CC(=C1)C2=NOC(C2)C(=O)NCC3CCCO3 1 1.148 2 4 0 -8.67382145356677 3243772 C1CC(=O)N(C1C(=O)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4Cl 1 3.773 4 2 -5.40772589073897 3243771 CC(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)OC(=O)C4=CC=CO4 1 3.947 4 4 0 -13.2792619179248 3243768 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3CCCCC3 1 2.043 2 4 -7.90683969559459 3243767 CCS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC=CC=C2Cl 1 1.782 2 3 0 -22.4470031679146 3243766 CCC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CO3 1 3.644 2 3 -3.8020984005106 3243765 C1CC(OC1)CNC(=O)CSC2=NC=NC3=C2N=NN3C4=CC=C(C=C4)F 1 2.342 6 2 0 -19.2573934680262 3243764 C1CC(CN(C1)S(=O)(=O)C2=CN=CC=C2)C(=O)NCC3=CC=CC=C3 1 1.195 3 3 0 -21.4545063000771 3243763 CCOC1=CC=C(C=C1)CC2=NC(=O)C(=C(N2)C)CC(=O)N3CCCCC3 1 2.124 3 3 -15.3461302929653 3243762 CCOC1=CC=C(C=C1)C(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)OCC 1 2.834 3 4 0 -7.44818411768214 3243761 COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)N3CCOCC3)C4=CC=C(C=C4)F 1 2.46 2 4 -10.1432061698854 3243760 CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)C(=O)N4CCCCC4 1 3.945 3 1 0.695087481522383 3243759 COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CS2 1 1.356 2 4 0 -19.1140059068481 3243758 C1=CN(N=C1)C(=O)C2=CC=C(O2)COC3=CC=C(C=C3)F 1 3.174 2 3 -1.12960623775245 3243757 COC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4CC4 1 3.071 2 4 0.251576367190105 3243756 CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCCCOC 1 1.13 3 3 0 -12.5274544009927 3243755 CN(C)C1=NC(=NC(=N1)OC)OC2=CC=C(C=C2)C(=O)OCC(=O)N 1 1.304 5 5 0 -13.3783447302818 3243754 CC1=CC=C(O1)CNC(=O)C2=CN(C(=O)C3=C2C4=CC=CC=C4N3C)C5CCCC5 1 3.204 3 3 -9.82896701288825 3243753 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NCC3=CC=C(C=C3)OC 1 2.072 5 2 0 -23.9597909551063 3243752 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C4=NN=C(C=C4)N5CCOCC5 1 1.783 6 2 0 -0.84897404734504 3243751 CCOC1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3OC)N 1 1.556 6 4 0 -21.9087289250503 3243750 CC1=C(C=C(C=C1)Cl)NC(=O)CCN2C=CC=C2 1 3.164 2 1 -6.01143123069698 3243749 C1CN(CC2=CC=CC=C2N1)C(=O)C3=CC4=C(C=C3)OCO4 1 2.222 2 3 -15.5160485726626 3243748 CCOC(=O)C1CCN(CC1)C(=O)CC(C(C)C)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.135 2 6 0 -19.5095758194427 3243747 CCOC(=O)C1=C(N(N=N1)CC(=O)NC2=C(C=CC(=C2)F)F)C(=O)OCC 1 2.188 4 5 0 -17.4085059783713 3243745 CC(C)COC(=O)N1C=CC(=N1)C(=O)N2CCCCC2 1 2.858 3 3 -8.6062081739114 3243744 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=CC=C3)Cl 1 2.147 4 2 -12.598355376423 3243743 CCOC1=CC=C(C=C1)NC(=O)CCNC2=C(C(=O)C2=O)N3CCCC3 1 0.904 3 4 0 -8.1854559518958 3243742 CCC(C)(C(=O)NC1CCCC1)N(CC2CCCO2)C(=O)C3=CC4=C(C=C3)OCO4 1 3.152 2 5 0 -22.6884455641353 3243741 CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3 1 2.661 5 3 0 -9.78738781298189 3243740 CCNC(=O)C1=C(N(C(=S)S1)CC)N 1 1.341 3 1 0 -8.53776895885615 3243739 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC=C(O3)CN4C=C(C=N4)Br 1 1.975 4 4 0 -5.24396855261742 3243738 CCC1=NN2C(=O)C=C(N=C2S1)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3C 1 4.556 5 2 0 -30.2634315485308 3243737 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)NC(=O)C 1 2.168 1 5 -13.8967460596736 3243736 CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)NCCCN3CCOCC3 1 1.012 3 3 0 -18.0036332305029 3243735 C1CCN(CC1)C2=NC3=CC4=C(C=C3S2)OCO4 1 2.683 2 2 1.01987376094523 3243733 CCOC(=O)N1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3=CC=C(C=C3)OC 1 1.711 4 5 0 -4.8192299832531 3243731 CCN1C(=C(C=N1)C2=NOC(C2)C(=O)NCC3=CC=C(C=C3)Cl)C 1 2.197 4 2 -9.21740587926888 3243729 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)N3CCCC3 1 2.774 2 2 2.51236569345336 3243726 C1CC2C(=O)N(C(N2C1)C3=CC=CC=C3)C4=NC=CS4 1 2.357 3 1 -2.87322870415004 3243725 CCCCN(C)CCCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=CC=C2 1 2.491 4 2 -11.3363910304044 3243724 CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 1.281 4 3 0 -19.0081120732853 3243723 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NCCC3=CCCCC3)C 1 3.436 2 4 -29.6929462473371 3243722 C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)NCCC4=CC=CC=C4 1 1.323 2 3 0 -13.5031168218855 3243717 CC1=NC2=C(N1C3=C(C=C(C=C3)F)F)C=CC(=C2)C(=O)NCCN4CCOCC4 1 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2 5 0 -21.8472224296098 3243541 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCOC 1 0.348 2 5 0 -18.201106777804 3243538 CCOC(=O)CNC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=CS2 1 1.683 2 5 0 -20.9833207360472 3243536 CC1CC2=CC=CC=C2N1C(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC 1 2.882 1 4 -15.6639050283289 3243535 CC1=CC(=C(C=C1)NC(=O)CN2C3=C(C=C2C(=O)OC)OC=C3)C 1 3.48 2 4 -10.6584084561984 3243534 C1CCN(C1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=C(C=CC=C3Cl)F 1 1.869 4 3 0 -23.2981401014659 3243533 CCN1CCN(CC1)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3C 1 2.551 3 4 0 -13.5037811499385 3243531 C1CCC(CC1)N2CC(CC2=O)C(=O)NC3CC3 1 1.081 2 2 0 -14.1873461114541 3243530 CC1=CC(=O)OC(=C1C(=O)NCC2=CC=C(C=C2)F)C 1 2.24 1 3 -10.077145004724 3243529 CC1=CC=C(C=C1)CN2C(CCC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.451 2 4 -13.8717475226493 3243528 CC1CCN(CC1)C2=NC(=CC(=N2)C(F)F)C3=CC=C(C=C3)C 1 4.598 3 0 3.75434709374231 3243527 CC1=NN2C(=C(SC2=N1)C(C3=CC(=CC=C3)OC)N4CCC5(CC4)OCCO5)O 1 2.528 4 4 0 -4.27671418406292 3243526 CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 2.876 1 4 -2.07304623390976 3243524 C1CCN(CC1)CCN2C(=O)C(=NN3C2=NC4=CC=CC=C43)CCC(=O)O 1 -0.783 5 3 0 -10.7859090872168 3243523 CC1=CC=C(O1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CO4)S2 1 2.802 3 3 -4.57353915681794 3243522 C1CCC(CC1)CC(=O)NCC2=CN3C=CSC3=N2 1 2.016 3 1 -16.4900335744071 3243518 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC(=O)OCC 1 4.05 3 5 0 -28.2490591511925 3243517 C1CN(CCN1CCO)C(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CS4 1 2.724 3 2 3.22474733705436 3243516 CCN(CC)CCCNC(CC(=O)O)C(=O)O 1 -5.71 2 4 0 -10.5579722279009 3243515 COC1=CC(=C(C=C1)OC)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCOCC4 1 2.532 4 4 0 -8.39802689692007 3243512 C1CC2CC1C3C2SC4=C(C3C5=CC=CC=C5)SC(=O)N4 1 4.045 1 1 -5.09103213605866 3243511 C1CC2=C(C1)NC(=NC2=O)SCC3=CC(=O)N4C=CC=CC4=N3 1 1.311 4 2 0 -23.5083152070952 3243510 CC(=NO)C1C2C(C2(C)C)CC1=NO 1 0.833 2 2 0 0.283676220247138 3243509 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCOCC3 1 1.006 2 3 0 -10.325895060843 3243507 COCC(=O)NC1=CC=C(C=C1)C2=CN3C=CC=NC3=N2 1 0.989 4 2 0 -5.10036411276378 3243506 C1C(OC2=CC=CC=C2O1)CNC(=O)CC3C(=O)NC4=CC=CC=C4N3 1 1.351 3 4 0 -22.1121322331125 3243505 CCOC(=O)CN1CC23C=CC(O2)C(C3C1=O)C(=O)NC4=CC=C(C=C4)F 1 0.369 2 5 0 -2.79319713731432 3243504 CCC(C(=O)NCC1=CC=CO1)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC 1 2.47 3 4 0 -8.51509361908647 3243502 CC1=CC2=C(O1)C=C(N2CC(=O)N(C)C3=CC=CC=C3)C(=O)OC 1 2.859 2 4 -7.62796627129054 3243501 C1CN(CCN1C2=CC=CC=C2F)C(=O)CCCC(=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.335 4 2 -4.73879262113442 3243500 CC1CCN(CC1)C(=O)C2=CC=C(O2)COC3=CC=CC=C3Cl 1 4.117 1 3 -9.95744775616431 3243499 CCC1=CC(=CC=C1)NC(=O)CN2C(=O)C3=CC4=CC=CC=C4N3C=N2 1 3.374 4 2 -5.053311062067 3243496 C1=CC=C(C(=C1)C(CC2=NC3=CC=CC=C3N2)O)Cl 1 3.459 2 1 0.922864651810967 3243495 CC1=CC=CC=C1CN2C3=CC=CC=C3C4=C2C(=O)NN=C4 1 3.713 3 1 -8.8749317740768 3243494 CC(C)C(C(=O)NCCN1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3 1 2.682 4 3 0 -17.4937019731131 3243492 CCOC1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CS2 1 1.702 2 4 0 -11.5697458591626 3243491 C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C4=C(C=N3)C(=O)OC5=CC=CC=C54 1 2.175 5 3 0 -9.23956504387638 3243490 CC(C(=O)NC1=CC=C(C=C1)C(=O)O)N2C(=O)C3=CC=CC=C3C2=O 1 1.612 2 5 0 -15.8401141405107 3243489 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=CN2C3=CC(=CC=C3)OC 1 3.17 3 4 0 -9.5910604261961 3243486 C1=CC=C2C(=C1)C(N(C(=O)N2)C3=CC=C(C=C3)Cl)(C(=O)NCC4=CC=CO4)O 1 2.824 3 4 0 -7.28457421718693 3243485 C1C(=O)N(C(S1)C2=CC=CC=C2F)C3=C(C=CC(=C3)Cl)O 1 3.867 1 2 -4.79771370575811 3243484 C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CC4=CC=CO4 1 2.757 3 3 -4.86469990917455 3243483 CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)NCC4=CC=CS4)CCOC 1 2.084 3 3 -14.2123069418189 3243482 CCOC(=O)CNC(=O)C1=CN(C(=O)C2=CC(=C(C=C21)OC)OC)C 1 0.124 2 6 0 -21.3307781372353 3243481 CC1=CC(=NO1)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O 1 0.913 3 4 0 -22.3254992533638 3243479 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=C(ON=C4C)C 1 3.393 4 4 0 -2.64475318441283 3243478 CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC=C 1 3.097 3 2 -6.39332193549702 3243477 CCC1=CC=C(S1)S(=O)(=O)NCC2=CSC(=N2)C3=CC=CC=C3 1 3.519 2 2 -2.76747736606014 3243476 CC1CCC2=C(C1)C3=C(C(=N2)NC(=O)C)C(=O)OC4=CC=CC=C43 1 3.231 2 3 -9.45339154991522 3243475 C1=COC(=C1)CNC(=O)CCCN2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NCC4=CC=CO4 1 1.149 4 6 0 -23.0610459594395 3243474 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NCC3=CC(=CC=C3)OC 1 2.946 2 4 -11.7463654038846 3243473 C1CCC(CC1)N2C=NC3=C2C=CC(=C3)C(=O)NCCN4CCOCC4 1 2.444 4 2 -14.4905191714858 3243471 CC1=CC(=CC=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)CC(C)C 1 2.483 5 2 0 -2.84811374263239 3243470 COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCC3CCCO3)OC 1 2.522 3 3 -10.6044772950126 3243469 CCN(CCCNC(=O)C1=C(C(=C(N1)C)C(=O)C)C)C2=CC=CC=C2 1 3.016 3 2 -11.8415151755248 3243468 C1CCN(C1)CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 1 3.301 4 4 0 -8.31967124158959 3243467 CCN1CCCC1CNS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4 1 2.625 3 3 -20.2989319478148 3243465 CCC1C(=O)NC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC 1 2.178 3 5 0 -22.797115912624 3243464 COC1=CC(=CC(=C1OC)OC)C(=O)NCCC(=O)NC2CCCCCCC2 1 3.067 2 5 0 -19.3596716373566 3243463 CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)CC 1 0.416 2 5 0 -23.6344077301014 3243462 CC1=C(C(=NC2=NC(=NN12)C)C)CCC(=O)N3CCOCC3 1 0.354 5 2 0 -16.9105353377701 3243461 C1CCCC(CC1)NC(=O)C2=CC(=CC=C2)N3CCCC3=O 1 2.934 2 2 -18.3138318203351 3243460 CS(=O)(=O)N1CCCC(C1)C(=O)NCCC2=CC=C(C=C2)Cl 1 1.754 2 3 0 -15.6141428015098 3243458 CCN(CC)CCCN1C(=O)C2=C(C=CC(=C2)Cl)NC1=S 1 3.705 3 1 -1.63534437318464 3243457 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)N4CCC5=CC=CC=C5C4 1 2.571 4 2 -18.6019034763883 3243456 CC1=CC(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 1.512 3 4 0 -18.6325258473431 3243455 CN1C(=CC2=C1C3=CC=CC=C3NC2=O)C(=O)NCC4=CC=CO4 1 2.158 3 3 -12.3043748544536 3243453 CCC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=NNC(=C4)C 1 3.089 7 2 0 -22.8631046031647 3243452 CCS(=O)(=O)N1CCC(CC1)C(=O)NCCC2=CC=C(C=C2)C 1 1.79 2 3 0 -21.0637322507947 3243451 CN(CCNC(=O)CCC1=NC(=NO1)C2=CC=C(C=C2)OC)CC3=CC=CC=C3 1 2.61 4 3 0 -7.13868459657097 3243450 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=CC=CC(=C3)C#N 1 2.846 4 2 -6.9684651786487 3243449 CCOC(=O)N1CCC(CC1)NC(=O)CCC(=O)C2=CC=CC=C2 1 1.355 2 4 0 -11.2309337406648 3243448 CC1=CC(=NO1)N2C(N3CCCC3C2=O)C4=CC(=C(C=C4)OC)OC 1 2.466 3 4 0 -11.0133150974305 3243445 CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl 1 3.761 4 2 -2.93080073046864 3243444 CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)NCCC3=CC=CC=C3)Cl 1 0.757 4 2 0 -11.2580537499485 3243443 CC1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC=CC3=NSN=C32 1 1.509 4 3 0 -13.0261742781983 3243442 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3CC3C4=CC=CC=C4 1 3.915 2 1 1.90919883693795 3243441 C1C2CC3(CC1CC(C2)(C3)O)CN4C(SCC4=O)C5=CC=CC=C5 1 2.921 1 2 -10.2010378146609 3243440 CC1=C(C(=NC2=C(C=NN12)C(=O)N3CCCCC3)C)CC4=CC=CC=C4F 1 3.179 4 1 -16.3383448825191 3243437 CCCNS(=O)(=O)C1=CC2=C(C=C1)N(CCC2)C(=O)C 1 1.47 2 3 0 -15.0808098859497 3243436 C1COCCN1C(CNC(=O)OC2=CC=CC=C2)C3=CN=CC=C3 1 1.881 3 3 0 -16.3573863160382 3243433 COC1=CC=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCCN4CCOCC4 1 0.679 4 6 0 -15.9946944405609 3243431 CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)Cl)Br 1 4.539 2 4 -6.88398997169042 3243430 CC1C(C(C(C(O1)NCCC2=CC=CC=C2)O)O)O 1 0.421 1 4 0 -6.8206390118876 3243429 CN1C2=C(C=C1C(=O)NCCCN3CCCCC3)SC=C2 1 2.9 3 1 -4.20966233792388 3243428 CC(C)OCCCNC(=O)CC(C(C1=CC(=C(C=C1)OC)OC)O)C(=O)NCCCOC(C)C 1 1.064 2 7 0 -21.2002284512545 3243427 CN1C(=O)CSC2=C1C=C(C=C2)NC(=O)NC3=CC=CC=N3 1 1.465 4 2 0 -7.4889301446391 3243426 CC1=CC=C(O1)CNC(=O)CN2C3=CC=CC=C3OC2=O 1 1.516 2 4 0 -9.4823697701731 3243425 CC(C)C(=O)NC(C)C(C1=CC=CS1)N2CCN(CC2)C 1 2.435 3 1 -6.78576300461634 3243424 C/C(=C/1\C(=O)N=C(S1)N2CCCC2)/C3=CC=C(C=C3)Br 1 4.064 2 1 -4.5899227114036 3243421 CC1=C(C(=CC=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CCOC)C 1 2.623 2 3 -10.0535816351241 3243420 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN=C2SCC3=CN=CC=C3 1 1.858 4 3 0 -17.8542491187424 3243419 CC1CCCCN1CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4 1 3.316 4 3 0 -14.7942775660195 3243418 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)NCCCN4C=CN=C4 1 0.511 6 2 0 -14.439678467619 3243417 COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=CC=C2 1 1.869 2 3 0 -9.52131019894405 3243416 CCN1C(=CC2=C1C=C(S2)Cl)C(=O)NCCCOCC 1 2.87 2 2 -9.45001994892207 3243415 CN(C)C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)OC 1 3.363 1 3 -3.15730260644209 3243414 CC(C)(C)NC(=O)CC(C1=CC=C(C=C1)OC)N2C=CC=C2 1 2.964 2 2 -10.8869189943406 3243413 CCOC(=O)C1=C(C(=C(N1)C)C(=O)N(C)C)C 1 1.464 2 3 0 -9.58382973880214 3243412 CCCCN(C)C(=O)C1=C(C2=C(S1)N=CN(C2=O)CC)C 1 2.611 3 2 -15.7405133437363 3243410 CC1=CC=CC(=C1)C2=NSC(=N2)SCC(=O)NC3=NC=CS3 1 2.981 4 1 -5.54602073710214 3243409 C1C(ON=C1C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)C#N 1 2.466 3 2 -5.90756977890346 3243408 CC1=CC=C(C=C1)C2(CSC(=NC3=CN=CC=C3)N2CC=C)O 1 3.611 3 1 -1.71107082125442 3243406 CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)CC(=O)N3CCC4(CC3)OCCO4 1 0.763 2 6 0 6.54918929437837 3243405 C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5 1 0.532 2 5 0 -10.2238960790519 3243404 CC1=C(C=CC(=C1)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)F)OC 1 3.646 4 3 0 -10.6388308838273 3243403 C1CCC2=C(C1)C(=CS2)C(=O)NCCCN3CCOCC3 1 1.972 2 2 0 -11.1694024602535 3243402 CCOC(=O)CNC1=C(N=C2N1C=CN=C2)C3=CC=C(C=C3)Cl 1 2.434 4 2 -2.26250369924498 3243401 CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2CO 1 2.342 1 3 -4.84782492518848 3243400 COC1=CC=CC(=C1)N2C3=C(C(=O)N(C=N3)CC4=CC=C(C=C4)Cl)N=N2 1 3.5 5 2 0 0.286944062046244 3243399 CCCCC(CC)CNS(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)CCC(=O)O 1 3.004 2 5 0 -24.591161096914 3243398 C1=COC(=C1)CNC(=O)CC(C2=CC=CO2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.379 2 5 0 -21.3237187971125 3243397 COC1=C(C=C(C=C1)Cl)C(=O)NN2C=NC3=CC=CC=C3C2=O 1 2.437 3 3 -4.75985632969841 3243396 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=C(C=CC(=C4)OC)OC 1 2.367 4 5 0 -16.8663360490652 3243395 CC1=CC=CC(=C1)C(=O)NC2=C(SCC2)C(=O)OC 1 1.672 1 3 0 -5.27583592013798 3243394 CC1=NN(C(=C1)NC(=O)C2=NOC(=C2)C3=CC=CC=C3OC)C4=CC=CC=C4 1 3.924 4 3 0 -8.29377811453877 3243391 C1CN(C(=N1)SCC2=CC=CC=C2)C(=O)C3=CC=CS3 1 3.845 2 1 -15.0386278984299 3243388 C1CN(CCN1C2=NC3=CC=CC=C3N4C2=NN=N4)C(=O)C5=CC=CO5 1 0.593 7 2 0 -7.96237669744985 3243387 C1CC(=O)N(C1C(=O)O)CC2=CC=CC=C2Cl 1 1.699 1 3 0 -8.09757530700847 3243386 C1=CC=C(C=C1)C2=NN=C(O2)NC3=NC4=C(C=CC=C4S3)F 1 3.414 4 1 2.79923237004541 3243385 CCN(CCCNC(=O)CN(C)S(=O)(=O)C1=CC=CC2=NSN=C21)C3=CC=CC=C3 1 2.356 5 3 0 -16.2682572343035 3243384 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)NC(=O)CCC(=O)O 1 1.429 2 5 0 -15.1437006025714 3243382 C1CCC2C(C1)CCCN2C(=O)NC3=CC=CC=C3 1 3.374 2 1 -3.35555045876114 3243379 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NC=C(C(=N2)N)C#N 1 2.364 5 1 -11.6686085269386 3243378 CC1=CC(=NC2=CC(=NN12)C3=C(C=C(C=C3)OC)OC)C 1 2.582 3 2 -7.20363461109766 3243376 CC(=O)C1=CC(=CC=C1)NC(=O)C2CC(=NO2)C3=C(C=CC(=C3)OC)OC 1 2.089 2 5 0 -8.32678373965139 3243375 COC1=CC=C(C=C1)C(=O)N(C2CS(=O)(=O)C=C2)C3=CC=CC=C3 1 2.184 1 4 -3.36597092197189 3243374 CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)NC3=CC(=C(C=C3)C)C 1 1.879 3 4 0 -3.26679334209207 3243373 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=CO5 1 3.95 4 3 0 -6.34773062627109 3243372 C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=CC=CC=C4C(=O)O3 1 2.676 1 3 -10.8690323185951 3243369 CCCCCN1C(=O)C2=C(NC1=S)N=CC=C2 1 3.315 3 1 -3.57946739103081 3243368 CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4OC 1 3.429 4 3 0 -9.59229042963353 3243367 CCOC(=O)C1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3CCCCC3 1 2.476 3 4 0 -8.00560850214877 3243366 C=CCNC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Br 1 1.414 2 3 0 -17.7094855823367 3243365 C1CCCN(CC1)C2=NN=C(S2)N 1 1.014 4 0 0 9.3101247191108e-003 3243364 CC1CN(CCN1C(=O)C2=CC(=C(C=C2)C)C)C(=O)C3=CC(=C(C=C3)C)C 1 4.447 2 2 -8.18394369218942 3243363 CN(C1=CC=CC=C1)C2=NC3=C(C(=O)S2)SC=C3 1 3.766 2 1 -7.81338476364969 3243362 COC1=CC=CC=C1NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.86 3 4 0 -20.7879332168264 3243361 CC1=C(C(=NN1C)C)S(=O)(=O)NC2CCCC3=CC=CC=C23 1 2.418 3 2 -5.56081328000978 3243360 COC1=CC=CC(=C1)CNC(=O)CCN2C3=CC=CC=C3OC2=O 1 2.421 2 4 -11.9111972486495 3243359 C1COCCN1CCNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br 1 2.305 3 3 -7.26741294411439 3243358 CCCOC1=CC=CC=C1C2CC(=O)NC(=C2C(=O)OCC(C)C)C 1 3.36 1 4 -22.9691876777139 3243356 CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CC=CO3 1 1.529 2 3 0 -13.6003570495164 3243353 C1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NC4=CC5=C(C=C4)OCO5 1 3.408 2 4 -10.8968748713874 3243351 CC1=NON=C1NC(=O)OC2CCCCC2 1 2.077 3 3 -9.70112238874104 3243350 C1CC1NC(=O)CCC2CC(=O)NC3=CC=CC=C23 1 1.23 2 2 0 -18.2764419888982 3243349 CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC=C)N 1 3.137 3 3 -15.81243262673 3243348 C1CN(CCC12OCCO2)CC(=O)C3=CC4=C(C=C3)C=CN4 1 1.934 2 3 0 -5.47899179707388 3243347 CC(C)CCN1CC(CC1=O)C(=O)NC(C)C 1 1.039 2 2 0 -20.32113003386 3243344 CN1C2=C(C=CC(=C2)Cl)C(=CC1=O)SCC(=O)N3CCCC3 1 2.095 2 2 -6.25983642419209 3243343 CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CS4 1 1.787 5 4 0 -10.9080502798817 3243340 C1=CC=NC(=C1)NC(=O)NC2=CC=CS2 1 1.697 3 1 0 -4.71765809062609 3243339 C1CC2=C(C(=O)C1)C(C(=O)N2CC3=CC=CC=C3)(C(F)(F)F)O 1 1.917 1 3 0 -5.38835734946508 3243338 CCOC1=CC=C(C=C1)C(CC(=O)OCC)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 2.11 2 6 0 -18.2547077207793 3243337 C1=COC(=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)F 1 2.339 4 2 -10.3500715206849 3243334 CCN(CCCNC(=O)C1=C(OC(=O)C=C1C)C)C2=CC=CC=C2 1 2.673 2 3 -13.5615533798466 3243333 COCCNC(=O)CCN1C2=CC=CC=C2OC1=O 1 0.723 2 4 0 -14.6081871635726 3243332 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O 1 0.129 3 7 0 -23.3274696255816 3243331 CCN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)NC3CCCC(C3C)C 1 2.814 3 3 -11.183596959027 3243330 CC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)NC4=NOC(=C4)C 1 3.12 6 2 0 -18.8986525940359 3243329 C1CCN(C1)C(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3C#N)N 1 2.862 4 1 -7.62692102430949 3243322 CCOC(=O)C1CCCN(C1)C(=O)C2CCCN(C2)S(=O)(=O)C 1 0.202 2 5 0 -21.0415953523426 3243321 CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)NCC2=CC=CC=N2)C 1 2.461 3 3 -12.1553333914548 3243320 CC1=CC(=NO1)N(CN2CCCC2=O)C(=O)C3=CC(=C(C=C3)OC)OC 1 1.562 3 5 0 -21.7155989649121 3243319 C1=COC(=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br 1 2.119 1 5 -15.4781939322825 3243317 CC12CC(C3=CC=CC=C3O1)NC(=O)N2C4=CC=C(C=C4)C(=O)N5CCN(CC5)C6=CC(=CC=C6)OC 1 3.806 4 4 0 -4.8723164195812 3243315 CCCN(CCC)CCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=O)O2)C 1 2.34 3 4 0 -7.34237029376309 3243313 CC1=C(C=C(N1CC(=O)NCC2=CC=CS2)C3=CC=C(C=C3)F)C(=O)C 1 3.413 2 2 -14.6058567042491 3243311 C1CCC2(CC1)CC(=O)N(C2=O)CCC(=O)O 1 1.019 1 4 0 -9.64627118777568 3243310 CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CN3CCC(CC3)C(=O)NC(C)C 1 2.46 3 4 0 3.0170326991516 3243309 CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)SCC(=O)N3C 1 1.816 3 3 0 -10.4493729012091 3243307 CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=CC=C3)C)CC(=O)O 1 2.133 3 2 -6.94838842310415 3243306 C1CC2C(=O)N(C(N2C1)C3=CC(=CC=C3)Cl)C4=CC=CC=N4 1 3.413 3 1 -0.824934065433948 3243305 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCC3)C(=O)NCCOC 1 0.78 4 4 0 -27.0028185269831 3243304 C1CN(CCN1CCNC2=NC3=CC=CC=C3N4C2=NN=C4)C5=CC(=CC=C5)Cl 1 3.548 7 0 0 8.92406726124983 3243301 COC1=CC(=C(C=C1NC(=O)C2=NOC(=C2)C3=CC=CO3)OC)Cl 1 3.333 2 5 0 -9.60688903021383 3243300 CCC(C)NC(=O)CC(C1=CC=C(C=C1)OC)N2C=CC=C2 1 3.283 2 2 -12.5799980593841 3243299 C1CC(=O)N(C1)CN(C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)OCO4 1 2.43 2 4 -14.4098646649695 3243298 CC1=CC(=CC=C1)N(C)C(=O)C2=COC(=O)C3=CC=CC=C32 1 2.811 1 3 -3.46840908142889 3243296 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3CCCC3)OC 1 3.099 2 4 -7.81402490495685 3243295 CC1=CC=CC(=C1)C2=NC(=C(O2)C)CN3CCCC(C3)C(=O)NC4CCCC4 1 3.79 3 2 16.0474797718162 3243294 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCC(=O)NCCN3CCCCCC3 1 1.657 4 3 0 -14.0067180340424 3243290 C1CC2=CC=CC=C2N(C1)CC3=C4C=CC=NC4=C(C=C3)O 1 4.05 2 1 -2.50757750125889 3243289 CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCC2=CC3=C(C=C2)OCO3)C 1 2.816 2 5 0 -10.8442855187761 3243287 CCCCN1C(C(=O)N(CC1=O)CCC2=CC=CC=C2)C3=CC=C(C=C3)OC 1 3.467 2 3 -8.99663225186212 3243286 CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)NCC4=CC=CO4 1 3.474 3 3 7.89404005508362 3243285 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2CCC(CC2)C(=O)NCCCN3CCOCC3)C 1 3.04 3 4 0 -17.7692213040486 3243284 CCOC(=O)C1=CC=C(C=C1)NCC2=CC=C(C=C2)N(C)C 1 3.588 2 2 -8.73692451356641 3243283 CCN1CCCC1CNC(=O)CSCC2=C(OC(=N2)C3=CC=CC=C3C)C 1 3.084 3 2 -6.02582061686028 3243282 CCCCN1C(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)NC1=S 1 4.73 2 2 2.90218515504729 3243280 CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)C3=NOC4=C3CCCCC4 1 4.203 4 2 -13.7971251898782 3243278 CCC(C(=O)OC)SC1=NN2C(=NN=C2C3=CC=C(C=C3)F)C=C1 1 3.779 4 2 -9.56546073799379 3243277 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=CC=CC=C2F)C 1 3.041 2 3 -11.9350640216436 3243274 COC1=CC(=C(C=C1)OC)NC(=O)CCCN2C(=O)C3C4CC(C3C2=O)C=C4 1 1.283 2 5 0 -11.384858749023 3243273 CCCCCCNS(=O)(=O)C1=CC(=C(C=C1)OC)OC 1 2.949 1 4 -12.9030030204475 3243272 C1=COC(=C1)C2=CC(=NO2)C(=O)NCC3=CC=C(C=C3)Cl 1 3.373 2 3 -5.01207034910415 3243270 CCOC(=O)N1CCC(CC1)NC(=O)CCN2C(=O)COC3=CC=CC=C32 1 0.496 3 5 0 -13.7187234763336 3243268 C1CCC2=C(CC1)ON=C2C(=O)NCC3=CC=C(C=C3)Cl 1 4.008 2 2 -13.2715592331853 3243266 CCC(C(=O)NC1=CC=C(C=C1)OCC)NC(=O)C2=CC=CC=C2CO 1 2.41 2 4 -13.4013631877183 3243264 CCOCCCNC(=O)C1=CC2=C(C=C1)N(C=N2)C3CCCC3 1 2.441 3 2 -17.0931939609121 3243262 C1COCCN1C(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4 1 2.184 1 4 -11.6510597223691 3243261 COC(=O)CN1C(=O)C2=CC=CN2C=N1 1 0.303 3 3 0 -7.7571645251128 3243260 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NN=C(S3)C)CC4=CC=CN4C 1 3.468 7 1 0 -23.6329937914243 3243259 C1=CC=NC(=C1)CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3 1 1.457 3 3 0 -6.98110869166851 3243258 CCC1=C(NC(=C1C(=O)N2CCN(CC2)C(=O)OCC)C)C(=O)OCC 1 2.13 3 5 0 -10.1955628204915 3243257 CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=NOC(=C3)C4=CC(=CC=C4)OC 1 4.01 4 3 0 -6.14006154662227 3243256 CCC1=C(N=NC(=N1)SCC(=O)N2CCCC3=CC=CC=C32)CC 1 3.918 4 1 -17.816012879557 3243255 C1CC(CN(C1)S(=O)(=O)C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 3.308 3 4 0 -10.5986841011983 3243254 CC(C)N1C(CCC1=O)C(=O)NCCCOC(C)C 1 0.414 2 3 0 -18.3722525858614 3243253 C1=CSC(=C1)NC(=O)NC2=NC=C(C=C2)Cl 1 2.362 3 1 -3.27645171298895 3243252 CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)N)C(=O)N1C4=CC=CC=C4 1 2.757 4 5 0 -26.0048747531212 3243251 C1=CC(=CC(=C1)S(=O)CC2=CC=C(O2)C(=O)O)C(F)(F)F 1 2.888 0 4 3.48168282741806 3243250 CC(=O)NC1C(=O)SC1(C)C 1 0.175 1 2 0 -8.07487455174874 3243248 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)C1=O)C 1 1.12 4 4 0 -12.8093315675427 3243247 COC1=CC=CC=C1NC(=O)CN2C(=C(N=N2)C(=O)NC3=CC=CC=C3)N 1 1.223 6 3 0 -21.125649648219 3243245 COCCNC(=O)CSC1=NC2=CC(=C(C=C2C(=O)N1CC3=CC=CO3)OC)OC 1 1.898 3 6 0 -26.8262323046212 3243241 CC(C)CCNC(=O)CCS(=O)(=O)C1=CC=CC2=NON=C21 1 1.814 3 4 0 -20.4677885386235 3243240 COC1=CC=CC=C1N2CCN(CC2)C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4 1 5.045 4 1 7.2666194634365 3243239 CC1=CC=C(C=C1)S(=O)(=O)N2CC3CCC2C3 1 2.286 1 2 -5.85696025581167 3243238 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4CCCC4)C 1 2.741 5 2 0 -9.2607793403156 3243236 CC1=CC(=NC=C1)N2C(=O)OC(C2(C)O)(C)C 1 1.674 2 3 0 -1.38434533648736 3243235 COC1=CC(=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=CC=C3OC)OC 1 2.151 1 6 0 -6.5133710279704 3243234 C1CN(CCN1CCNC(=O)CCN2C(=O)COC3=CC=CC=C32)C4=CC=CC=C4F 1 2.107 4 3 0 -10.6203820364866 3243233 C1COCCN1CCCNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)F 1 1.824 3 3 0 -7.11366230265 3243230 CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)N4CCCC4 1 3.655 4 3 0 -25.1996575214747 3243228 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(O2)C4=CC=CC=C4N=C3C 1 4.148 2 3 -4.44438528053449 3243226 C1=CC=C2C(=C1)C(=O)NN(C2=O)C3=CC=CC4=C3N=CC=C4 1 2.01 3 2 -1.50592473606445 3243225 C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)F 1 1.532 3 5 0 -22.0244032296963 3243224 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1 2.985 3 2 -6.38456262096236 3243104 CCS(=O)(=O)N1CCCC(C1)C(=O)NCCN(C)CC2=CC=CC=C2 1 1.256 3 3 0 -18.4073106479799 3243103 CCS(=O)(=O)NCCC1=CC2=C(C=C(C=C2)C)NC1=O 1 1.286 2 3 0 -9.01291310469667 3243102 CC1=CC=CC=C1N2C(=O)C=C(NC2=O)N3CCC4=CC=CC=C4C3 1 3.663 3 2 -5.2525357645638 3243101 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)COC3=CC(=O)N(C4=CC=CC=C43)C 1 2.905 3 3 -8.53537548716375 3243100 C1CCC2=C(C1)C(=NO2)C(=O)NCC3=CC=CC=C3 1 2.887 2 2 -15.5539043143836 3243099 COC1=C(C=C(C=C1)CCNC(=O)C2=NOC(=C2)C3=CC=CS3)OC 1 3.555 2 4 -13.3452308214784 3243098 C1CC1C(=O)N2CCC3=CC(=CC(=C32)S(=O)(=O)NCC4=CC=CO4)Br 1 2.413 2 4 -15.3786025874334 3243097 CC1CCCCC1NCC2=C(NC(=C2C(=O)O)C)C 1 -0.145 2 2 0 -4.68610572345703 3243096 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCN(CC)CC 1 0.894 3 3 0 -24.6704810634461 3243095 CCOC(=O)COC1=CC2=C(C=C1)OC3(CCN(CC3)C(=O)C)CC2=O 1 0.753 1 6 0 -15.7621211996024 3243092 CC1=CC=C(C=C1)C(C2=C(N3C(=NC(=N3)C)S2)O)N4CCN(CC4)C5=CC=CC=C5F 1 4.801 5 1 1.13436786787767 3243091 CC1CCCCN1CCNC(=O)CN2C(=O)COC3=CC=CC=C32 1 1.319 3 3 0 -13.6338593875131 3243090 CC1=NC(=CC=C1)NC(=O)C2CCC(=O)N(C2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC 1 3.592 3 4 0 -6.14673567086296 3243088 CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NCC3=CC=CO3 1 3.147 3 3 -9.42746864605124 3243085 C1=CC=C(C(=C1)CNS(=O)(=O)C2=CN=CN2)Cl 1 1 3 2 0 -0.992406881978352 3243084 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=NC5=CC=CC=C5S4 1 2.854 4 4 0 -14.2587239082333 3243083 C1CCC(CC1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4 1 2.57 3 3 -12.1194112178143 3243082 CC1=CC(=C(C=C1)C2=NCCNC2=O)C 1 1.975 2 1 0 -3.69795846284104 3243079 CC1=C(C=CC(=C1)S(=O)(=O)NCCCN2CCOCC2)F 1 1.321 2 3 0 -8.13364689784241 3243078 C1CN(CCC1C(=O)O)S(=O)(=O)C2=CN=CC=C2 1 -0.102 2 4 0 -17.9919437994484 3243077 CC1=NC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.002 5 3 0 -9.51598759571479 3243075 C1=CC=C2C(=C1)C=C(O2)C(=O)NCC(=O)NCC3=CC=CS3 1 2.016 2 3 -11.6057936501855 3243074 C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4=NN=C(C=C4)N5CCOCC5 1 1.606 5 2 0 -8.56040338859356 3243073 C1CN(CCC1C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)S(=O)(=O)C4=CC=CS4 1 0.895 3 5 0 -16.3815493466164 3243071 CC(C)C1=CC(=NO1)C(=O)NC2CCCCC2 1 3.053 2 2 -12.3721293393269 3243070 CC1=CC=CC=C1CN2CCN(C2=O)CC(=O)NCC3=CC=CO3 1 1.494 3 3 0 -17.5686682255403 3243069 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3OC 1 1.076 3 5 0 -19.7129078083464 3243068 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NC3=CC=CC=N3 1 1.171 3 3 0 -4.63010748791951 3243064 CCOC(=O)CNC(=O)CSC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F 1 2.039 6 3 0 -18.9838429562634 3243063 CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N4CCN(C4=N2)C5=CC=CC=C5 1 3.283 5 2 0 -7.87302624850169 3243060 C1COCCN1C(=O)C2C3CC(C2C(=O)O)C=C3 1 -0.191 1 4 0 -7.29502983626611 3243058 CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)NCCCN2CCOCC2 1 2.027 3 3 -25.0593549951495 3243057 C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C(=O)NN=C4 1 3.227 3 1 -7.98529124373453 3243056 CC(C)CC(C(=O)NC(CC(C)C)C(=O)O)NC(=O)OC(C)(C)C 1 2.921 2 5 0 -23.4056123416788 3243055 CC1CC(CN(C1)CCCNC(=O)COC2=CC(=O)N(C3=CC=CC=C32)C)C 1 1.962 3 3 0 -13.6857642585679 3243054 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCC3=CC=C(O3)C 1 1.465 2 4 0 -8.88296615735336 3243051 CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 1.636 4 5 0 -25.4807784429607 3243045 COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3CC3 1 1.402 2 3 0 -14.7805253367933 3243044 CC1=CC=C(C=C1)CCNC(=O)CN2C=CC=C2 1 2.58 2 1 -10.0883221666479 3243043 COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC4=CC=C(O4)C(=O)OC)N=N2 1 3.614 5 4 0 -10.4361301622551 3243042 CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCN3CCOCC3 1 2.118 3 4 0 -23.90179972513 3243041 COC(=O)C1=CC=C(O1)CSC2=NC=NC3=C2N=NN3C4=CC=C(C=C4)F 1 3.836 5 3 0 -9.48005977655512 3243039 COC1=CC=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3F 1 2.775 3 2 -0.66895610086055 3243037 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)C)C)C 1 3.717 3 2 -13.3132757711566 3243036 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=CC=N2 1 0.588 4 3 0 -10.2883492857046 3243035 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4 1 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CCOC(=O)C1=C(NC(C1=O)(C(F)(F)F)NC2=NC=CS2)C 1 1.259 3 3 0 -9.80302275343891 3243018 COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3)OC 1 1.73 2 5 0 -13.6697677978626 3243016 CCN(CC)C(=O)C1=CN(C(=O)C2=CC(=C(C=C21)OC)OC)C 1 0.971 2 4 0 -14.6013744614387 3243015 CCN(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=C4C(=CC(=C3)Br)CCN4C(=O)C5CC5 1 3.547 2 5 0 -17.1035323065171 3243014 C1=COC(=C1)CNC(=O)CCCCN2C(=O)C3=C(C=CS3)NC2=S 1 2.946 3 3 -18.6164942302696 3243011 CC1=CC2=C(C=C1)OCC(=O)N2CCC(=O)NCC3=CC=CO3 1 1.385 2 4 0 -15.8228470574903 3243010 CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C 1 2.592 4 4 0 -12.6476367762189 3243009 CC1CCCN(C1)C(=O)C2(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.903 1 3 -7.03579972345234 3243008 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3CCCC4=CC=CC=C34 1 3.99 3 2 -7.91782611202588 3243007 COC1=C(C=CC(=C1)C2C3C4CCC(C4)C3SC5=C2SC(=O)N5)O 1 3.787 1 3 -2.67290594392309 3243005 C1=CC=C(C=C1)C(=O)C2=CC=CN2CC(=O)NCC3=CC=CC=N3 1 2.533 3 2 -16.2570228196757 3243004 C1CC(OC1)CNC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F 1 0.931 5 3 0 -16.7971798337676 3243003 CC1=C(C=CC=C1Cl)NC(=O)CN2C=CC=C2 1 2.916 2 1 -3.13240445591031 3243000 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC=CO2 1 0.823 2 4 0 -25.7620459763544 3242999 C1COCCN1C2=NC3=NNC(=C3C(=N2)C4=CC=CC=C4)N 1 1.103 6 1 0 2.00837122716412 3242998 CCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2CCCO2 1 1.741 2 3 0 -23.8580034391477 3242997 C1CN(CCN1C2=CC=CC=N2)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43 1 1.4 6 3 0 -10.3544088452937 3242996 C1CCC2=C(C1)C=CC=C2NC(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5 1 2.26 2 3 -7.90144486030683 3242995 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl 1 3.131 3 4 0 -14.9952278923315 3242994 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4=CC=CS4 1 2.247 2 5 0 -15.332971920131 3242993 CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CN(N=C3)C4=CC=CC=C4)CN5CCOCC5)O 1 3.554 3 4 0 5.11739653230954 3242992 CCOC1=C2C(=C(C=C1)S(=O)(=O)NC3=CC=CC=C3SC)C=CC=N2 1 3.378 2 3 -11.584050886124 3242991 CCOC(=O)C1=CC(=CC=C1)NC(=O)CCN2C=CC=C2 1 2.218 2 3 -11.7720061911386 3242990 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCCCC3 1 3.513 2 4 -5.61022941952404 3242989 C1CC2=C(C(=O)OC3=C2C=C(C=C3)OCC4=CC=CC=C4)N(C1)C(=O)CN5CCOCC5 1 2.682 2 5 0 -14.6676223495125 3242988 CC1=CC(=C(C=C1)C)C(C)NC(=O)C2C3CCC(C2C(=O)O)O3 1 2.18 1 4 -7.435700571228 3242987 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4 1 1.301 4 5 0 -7.01923132736975 3242986 CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)NCC3=CC=CO3 1 1.889 2 3 0 -16.4820079596461 3242982 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CO3 1 2.458 6 2 0 -21.6438423777825 3242981 CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C(C)(C)C)C 1 4.337 3 1 -11.4840325112212 3242980 COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)O 1 2.082 1 4 -11.0792186323178 3242979 COC1=CC=CC(=C1)C2=NOC(C2)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC 1 2.316 2 6 0 -6.35494252513387 3242978 COC1=C(C=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)F)OC 1 3.378 2 3 -3.40685723484368 3242976 CC1=C(NC(=C1C(=O)C)C)C(=O)NCCC2=CCCCC2 1 3.122 2 2 -11.9069524864147 3242975 C1COCCN1C2=NC(=NC=C2Br)OC3=CC=CC=C3O 1 2.407 3 3 2.81347247513161 3242973 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=C2C)C(=O)NCC=C 1 2.55 2 4 -12.6713285085994 3242972 CCOC(=O)N1CCC(CC1)NC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)C 1 1.753 4 4 0 -10.0520721775398 3242971 C1COCCN1C(=O)C2=CC=C(O2)COC3=C(C(=C(C(=C3F)F)F)F)F 1 2.999 1 4 -7.23306762671712 3242970 CC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)N3CCCC3 1 1.736 2 2 0 -9.71333806330264 3242967 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)N4CCC5(CC4)OCCO5 1 1.16 4 5 0 -17.4126038465821 3242966 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl 1 2.552 4 3 0 -16.8292255836515 3242964 CC1(CC(=O)C2=C(O1)C=CC(=C2)OCC(=O)NCC3CCCO3)C 1 1.472 1 5 0 -20.3443532448419 3242962 CN(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC=CS2 1 1.697 2 3 0 -14.5298177768634 3242961 CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4OC)OC)Cl 1 3.391 4 3 0 -5.72417416309338 3242959 CC1=CC=C(C=C1)OCCN2C(=O)OC(C2(C)O)(C)C 1 2.341 1 4 -0.248884641190994 3242958 CCOC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)OC)CC3=CC(=O)NC(=O)N3 1 1.447 5 5 0 -24.9487593749141 3242957 CC1CCCN(C1)CCCNC(=O)CCN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 2.399 4 2 -11.1977253763125 3242956 C1=C(SC(=C1)Br)S(=O)(=O)NCC(=O)O 1 0.577 1 4 0 -9.41346893272427 3242955 COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NCC4COC5=CC=CC=C5O4 1 3.465 2 5 0 -4.1813298256831 3242953 CC1=C(OC=N1)C(=O)NC2=CC=CC=C2C(=O)N 1 8.8e-002 3 3 0 -15.7103547472008 3242952 C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CC4=CC=CC=N4 1 2.64 4 2 -3.83158185871033 3242949 C1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)Cl 1 2.127 3 3 -13.3469218805155 3242948 CC1=C(C=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CN=CN2)C 1 0.567 4 3 0 -6.22884308307899 3242947 C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)NC3=NC=CS3 1 1.986 3 2 0 -7.33874587379841 3242946 CC1=CC=C(C=C1)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)Cl 1 4.009 5 1 -5.10919126464378 3242945 CC1CCN(CC1)C(=O)CN2C3=CC=CC=C3OC2=O 1 1.98 2 3 0 -9.55939943759001 3242944 C1=CSC(=C1)CNC(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 2.341 1 3 -19.4154593276255 3242942 CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C 1 0.418 6 3 0 -14.0590099778665 3242940 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=O)N2CCC4=CC(=C(C=C4)OC)OC)SC=C3 1 3.837 4 5 0 -36.8898354787997 3242939 CS(=O)(=O)NCC1=CSC(=N1)C2=CC=CC=C2 1 1.343 2 2 0 -2.70178048393934 3242937 C1CN(CCC1C(=O)NCC2=CC=CO2)S(=O)(=O)N3CCOCC3 1 -0.906 3 5 0 -19.0233366913958 3242936 CCN1C(=NNC1=S)CC(C)C 1 2.161 3 0 -3.71886259316901 3242935 CCC(C)(C(=O)NC1CCCCC1)N(CC2=CC=CO2)C(=O)C3=NC=CN=C3 1 2.374 4 3 0 -21.0989929962303 3242934 CCN1C(=C(C=N1)C2=NOC(C2)C(=O)NCC3=CC=C(C=C3)OC)C 1 1.517 4 3 0 -11.4523707789998 3242933 CC(C)(C)C(=O)CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)OC 1 2.68 2 4 -15.1937665196121 3242932 C1=CN=CC=C1C(=O)NN2C=NN=C2 1 -0.918 5 1 0 -6.68237052349182 3242931 CN1C2=C(C=C(S2)C(=O)NC3=CC4=C(C=C3)OCCO4)C(=N1)C5=CC(=CC=C5)OC 1 4.012 3 4 0 -4.19776286825346 3242929 CN(C(=O)C1=CC2=C(C=C1)OCO2)C3(CCCCC3)C(=O)NC4CCCCC4 1 3.858 2 4 -15.9638451748254 3242928 CN(C)C(=O)N1CCC(CC1)C(=O)NCC2=C(C=C(C=C2)F)Cl 1 1.915 3 2 0 -13.2882321392059 3242927 CCN1CCCC1CNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCCC4)C 1 2.202 4 4 0 -27.9009052011254 3242925 CCC(C(=O)NCC1=CC=CO1)SC2=NC3=CC(=C(C=C3C4=NC(=NN42)C)OC)OC 1 3.153 5 4 0 -18.3654030563949 3242923 CCOC(=O)CC(C1=CC=CC=C1Cl)NC(=O)C2=CC=CO2 1 3.014 1 4 -10.4209155043656 3242922 CC1=C(N=C2N1C=CC=N2)C3=CC(=CC=C3)NC(=O)C4=C(ON=C4C5=CC=CC=C5Cl)C 1 4.41 5 2 0 -7.69411570009468 3242921 COC1=C(C=C(C=C1)C2=CN3C=CC=NC3=N2)NC(=O)C4=CC=C(O4)Br 1 2.864 4 3 0 -5.60442240690517 3242920 C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)C(=O)NC4=CN=CC=C4 1 1.924 3 4 0 -4.03621802002678 3242919 COC1=CC=CC=C1CNC(=O)C2=CC3=C(S2)CS(=O)(=O)C3 1 1.922 1 4 0 -13.2877523632307 3242918 CCOC1=CC=C(C=C1)C2=CC(=NO2)CCCC(=O)NCCCOC 1 2.52 2 4 -16.6432429359909 3242916 CC(C)OC(=O)CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.666 2 4 -17.1953073383762 3242914 CCSC1=NC(=O)C(=NN1)C2=CC=CC=C2NC(=O)C 1 1.694 4 2 0 -13.6706537589324 3242912 CCC1=CC=C(C=C1)NC(=O)N(CCCOCC)C2CCN(CC2)C(=O)C 1 1.745 3 3 0 -9.75818716987697 3242911 CC1C2=CC(=C(C=C2CCN1C(=O)CCN3C(=O)C4C5CC(C4C3=O)C=C5)OC)OC 1 1.627 2 5 0 -21.2653381993063 3242909 CN1C2=C(C=C1C(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)OC)SC=C2 1 3.596 4 2 -1.11531230315236 3242908 CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)C3=NOC(=C3)C4=CC5=C(C=C4)OCO5 1 4.401 4 4 0 -4.46267399956504 3242907 C1CCC(CC1)(C(=O)NC2CCCC2)NC(=O)C3=CC4=C(C=C3)OCO4 1 3.195 2 4 -16.1607549649356 3242906 C1N(CSC(=S)N1CC2=CC=CO2)CC3=CC=CC=N3 1 3.539 3 1 -5.22142053113895 3242905 CC1=C(C(=NN1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3 1 0.837 5 2 0 -10.7170222493202 3242901 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCCOC 1 0.9 5 3 0 -17.4040549628214 3242900 CC1=C(SC2=NC(=CN12)C3=CC=CC=C3)C(=O)N(CCOC)CCOC 1 1.974 3 3 0 -3.86328451947168 3242898 C1CC2CC1CC2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.69 2 3 5.49463336489078e-002 3242895 CC1(CCC(=O)N1CC2=C(C=C(C=C2)OC)OC)C(=O)NC3CCCCC3 1 2.75 2 4 -9.30290884020455 3242894 CCS(=O)(=O)N1CCC(CC1)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 1.271 2 5 0 -25.4748131883079 3242893 CCC1CCCCN1CCNS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)CC 1 3.514 3 3 -14.3301738097136 3242891 CC1=C(C=CC(=C1)S(=O)(=O)N2CC(=O)N(C(=O)C2)CCC3=CC=CC=C3)F 1 2.279 2 4 -13.7217231080156 3242890 CCC(C)NC(=O)C1(CCC(=O)N1CCC2=CC(=C(C=C2)OCC)OCC)C 1 3.161 2 4 -15.1415407260111 3242888 CCCS(=O)(=O)N1CCC(CC1)C(=O)N2CCC3(CC2)OCCO3 1 0.193 2 5 0 -24.2986421842539 3242887 CCN1C(=O)OC2(C1(C)O)CCCCC2 1 1.704 1 3 0 -1.76602612400097 3242886 CC(=O)NCC(=O)N(C)C(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 0.78 3 5 0 -18.3191597498451 3242885 CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 1 2.843 3 6 0 -21.4283237274036 3242884 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)N3CCC4(CC3)OCCO4 1 0.775 5 3 0 -21.094188992959 3242883 CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)C3=NOC(=C3)C4=CC=CO4)C 1 3.849 4 3 0 -6.59615567033618 3242881 CCN1CCN(CC1)C(C2=CC=CS2)C(C)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.77 3 2 -7.06120293783505 3242879 CC1=CC(=C(C=C1C(=O)CC2(C3=CC=CC=C3NC2=O)O)C)C 1 3.092 1 3 -7.06917674366535 3242877 CC1=C(C=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4)C 1 2.659 1 2 1.95208910007533 3242876 CC(C)CC(=O)CN1C2=CC=CC=C2C3(C1=O)OCCO3 1 1.682 1 4 0 -10.4929244598614 3242875 CC1=CC=C(C=C1)C2=C(C(=O)N(S2(=O)=O)CC(=O)O)C 1 1.151 1 5 0 -3.87838229896915 3242873 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSCC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5 1 4.017 4 3 0 -13.6960819269325 3242871 CC12C3CC(C1C(=O)N(C2=O)C4=CC=CC=C4C(=O)O)C=C3 1 1.733 1 4 0 -3.56335917264808 3242870 CC1=C(C(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C)C 1 1.999 3 4 0 -19.3740742245445 3242869 COC1=C(C=C(C=C1)C2NC(CS2)C(=O)O)COCC(F)(F)F 1 -0.294 1 4 0 -16.9079601318574 3242867 CC1=CC=CC=C1CS(=O)(=O)CC2=CC=C(O2)C(=O)NCC3CCCO3 1 2.472 1 5 -14.1481965787036 3242866 CCCN(CCC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCC3 1 4.649 3 2 -26.3605168594234 3242865 CCC1=CC(=CC=C1)NC(=O)NC2=CC=CS2 1 3.251 2 1 -3.96561552094198 3242864 C1CC1NC(=O)CN2C3=C(C=N2)C(=O)OC4=CC=CC=C43 1 1.441 3 3 0 -14.342444000936 3242863 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)C3CCCCC3 1 3.68 3 3 -23.1349746784233 3242861 CCOC(=O)C1=C(N=CC=C1)SCC2=CC(=O)N3C=CC=CC3=N2 1 1.709 3 3 0 -21.1441849550774 3242860 CC1=NC(=CC=C1)NC(=O)C2=C(N3C=C(N=C3S2)C4=CC=C(C=C4)OC)C 1 3.262 4 2 1.16634815828921 3242859 CN(CCNC(=O)C1(C2=CC=CC=C2NC(=O)N1C3=CC=CC=C3)O)CC4=CC=CC=C4 1 3.116 4 3 0 -4.81536043470148 3242857 COC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NCCCN3CCOCC3 1 0.189 3 4 0 -18.394245327945 3242856 COC(=O)C1=CC=CC=C1NC(=O)CN2C3=CC(=CN=C3N4CCCC4C2=O)Cl 1 1.525 4 4 0 -11.9429265459611 3242855 C1CCC2(CC1)NC(=O)C(=N2)C3=CC=CC=C3 1 2.493 2 1 3.19454175920132 3242854 C1CCN(C1)C(=O)CN2C=NC3=C(C2=O)N=NN3C4=CC=C(C=C4)F 1 1.2 6 2 0 -10.7747986592911 3242853 C1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S 1 2.894 3 2 -12.3772946531064 3242852 CC(C)N(CCCNC(=O)C1CCN(CC1)S(=O)(=O)N2CCOCC2)CC3=CC=CC=C3 1 0.84 4 4 0 -17.5389112956809 3242851 C1CC(CN(C1)S(=O)(=O)C2=CN=CC=C2)C(=O)NCCC3=CC=CC=C3 1 1.516 3 3 0 -21.7117595757758 3242849 CC(C(=O)O)N1C(=O)C2=C(C1=O)C(=C(C=C2)OC)OC 1 0.795 1 6 0 -14.1852483747164 3242848 CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)NCCOC 1 1.638 2 4 0 -21.4589578875126 3242847 C1COCCN1C2=NC3=CC4=C(C=C3S2)OCCO4 1 1.471 2 3 0 -1.4886172857526 3242845 CC(C)(CC1=NS(=O)(=O)C2=CC=CC=C2N1)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl 1 3.369 4 3 0 -7.61854728700186 3242844 C1CCC2=C(C1)C(=NO2)C(=O)NC3=CN=CC=C3 1 1.729 3 2 0 -11.9060790310503 3242843 CN1C=C(C2=CC=CC=C21)CCC(=O)N3CCC4(CC3)OCCO4 1 2.299 2 3 -9.94905456914839 3242842 COC1=CC(=CC(=C1OC)OC)C(=O)NCCC(=O)NCCN2CCCCCC2 1 1.809 3 5 0 -19.4564163351132 3242841 C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)N5CCOCC5 1 -0.156 4 6 0 -12.6549580719771 3242840 CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=CO3 1 1.254 4 4 0 -28.1686607401492 3242839 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCC4(CC3)OCCO4 1 2.377 1 6 0 -13.4108430785055 3242838 CCC1CCCCN1C(=O)CN2C(=CC3=C2C=C(S3)Cl)C(=O)OC 1 3.972 2 3 -10.5449961644298 3242837 CC(C1=CC=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C 1 1.156 4 5 0 -28.1649372533103 3242836 CC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CN=CC=C4)S2 1 3.202 4 1 -8.00238805718483 3242835 CCC1=CC=C(C=C1)NC(=O)NCCN2CCC3=CC=CC=C3C2 1 3.685 3 1 -9.59098293441875 3242834 CCOC1=NC(=NC(=N1)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)N5CCOCC5 1 3.434 6 3 0 7.60599793773244 3242833 CC1=NN2C(=C(SC2=N1)C(C3=CC(=CC=C3)F)N4CCN(CC4)C(=O)C5=CC=CO5)O 1 2.962 5 3 0 -5.53734471718463 3242832 COC1=NC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)OC 1 3.838 2 3 -7.14985307170644 3242828 C1CCC/C(=C(\CC1)/N2CCOCC2)/S(=O)(=O)CC3=CC=CC=C3 1 3.207 1 3 -14.2461757687388 3242827 CC1=NC2=C(C=NN2C3=C1CCCC3)C(=O)OC 1 1.761 3 2 0 -11.228008615194 3242826 CN(C)C(=O)N1CCCC(C1)C(=O)NCC2=C(C=C(C=C2)F)Cl 1 2.05 3 2 -12.6345727064572 3242825 CC1CCCCN1CCCNC(=O)C2CCC(=O)N2CC3=CC=C(C=C3)C 1 2.595 3 2 -15.97862043973 3242821 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3Cl)S(=O)(=O)C4=CN=CC=C4 1 1.976 4 3 0 -14.5674242905217 3242818 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4)Br 1 2.781 4 3 0 -17.1409971481 3242817 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 2.457 2 4 -10.3736434582909 3242816 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NCC4=CN=CC=C4 1 1.328 6 2 0 -14.0016354185168 3242815 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)OC 1 1.67 4 5 0 -10.5213948336804 3242814 CC(C)CCNC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C3=CC=CO3 1 3.604 4 2 -16.7906719362831 3242813 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN=C3SCC4=CN=CC=C4 1 3.952 4 2 -14.7331188378671 3242811 CN(CC1=CC=CO1)C(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.591 2 3 0 -16.539553232873 3242810 C1COCCN1CC2=C(C3=C(C=CC=N3)C(=C2)COCC4=CC=CC=C4)O 1 2.923 2 3 0.177010767808558 3242809 CCCCNC(=O)CC1C(=O)N(C(C2=NC3=CC=CC=C3N12)C)CC4=CC=CC=C4 1 3.603 4 2 -18.094539594754 3242808 CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F 1 0.41 3 6 0 -22.4840297688274 3242807 CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CN=CC=C3)C4=CC(=C(C=C4)OC)OC 1 2.228 3 4 0 -15.095284073086 3242805 COC1=C(C=C(C=C1)CCNC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3)OC 1 4.493 3 3 1.86068500426617 3242802 COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5 1 3.474 4 4 0 -23.4847947380363 3242801 CC1=C(C=C(C=C1)C(=O)NCC2CCCO2)N3CCCC3=O 1 1.464 2 3 0 -19.9015630987571 3242800 C1C(OC(O1)(C2=CC=CC=C2)C3=CC=CC=C3)CN4C=NC=N4 1 2.726 3 2 -7.46121088633215 3242799 CC1=C(C(=NC2=NC(=NN12)C)C)CCC(=O)N3CCN(CC3)C4=CC=CC=N4 1 1.684 7 1 0 -12.108525331404 3242798 C1CCC(=CC1)CCNC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4O3 1 3.582 3 2 -13.73945602171 3242797 CCOC(=O)N1CCC(CC1)NC(=O)CN2C3=CC=CC=C3C4=C2C(=O)NN=C4 1 1.066 5 4 0 -15.3310232626103 3242796 CC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NCCCN4CCC5=CC=CC=C5C4 1 4.364 3 2 -5.15039740570727 3242795 CC(CNC1=NC=NC2=C1NC=N2)O 1 -0.525 5 1 0 -1.20374213375722 3242793 CC1=C(C2(C3=CC=CC=C3N(C2=O)CC#C)C(=C(O1)N)C#N)C(=O)OCC4=CC=CC=C4 1 3.271 3 4 0 -12.6937109083597 3242792 C1CC2C(=O)N(C(N2C1)C3=CC=C(C=C3)F)C4=NC=CS4 1 2.563 3 1 -1.70899799442456 3242791 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CNC(=O)CN4C=NC5=CC=CC=C5C4=O 1 0.59 5 5 0 -15.5409846369065 3242790 CC1=CC(=C(C=C1C)NC2=CC(=O)CC(C2)(C)C)N 1 2.929 2 1 -13.1087005043907 3242789 CC1=CC(=NN1C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3)C(F)(F)F 1 5.028 4 1 6.34029088332364 3242788 COC1=NC=NC(=C1)N2CCOCC2 1 0.962 3 2 0 -2.59555173328793 3242786 C1COCCN1CCCNC(=O)C2=NOC(=C2)C3=CC=CS3 1 1.572 3 3 0 -11.9791452333113 3242785 CC(C)C(C(=O)N1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 3.12 4 3 0 -21.2041982948529 3242784 C1CN(CCC12OCCO2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5 1 0.918 4 4 0 -17.5230824398529 3242782 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CC=CO3 1 1.182 2 5 0 -16.7315727645256 3242781 CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)CSC 1 3.046 4 4 0 -20.3045298996107 3242780 CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CSC(=O)C 1 2.968 2 2 -4.4381633011523 3242779 COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CC(=O)N(C(=O)C2)CCC3=CC=CC=C3 1 1.494 2 6 0 -17.1333001713721 3242778 C1CC2C(C(C1O2)C(=O)NCC3=CC=NC=C3)C(=O)O 1 -0.32 2 4 0 -8.26643866111067 3242777 CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=C(O3)Br 1 2.774 2 3 -11.8659251387306 3242775 COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)N4CCCC4 1 2.981 2 3 -5.74620417232138 3242774 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=C(N3C(=NC=N3)N=C2C)C 1 2.285 5 3 0 -22.7866553382691 3242773 C1COCCN1C(CNC(=O)C2=CC=CS2)C3=CN=CC=C3 1 1.279 3 2 0 -19.0500453794789 3242772 C=CCNS(=O)(=O)C1=CC=CC2=CC(=C(C=C21)O)C(=O)O 1 1.654 1 5 0 -9.39028808318192 3242771 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCCCN3CCN(CC3)C 1 2.265 3 4 0 -11.4351653711965 3242769 CC1=CC(=O)OC(=C1C(=O)NCC2COC3=CC=CC=C3O2)C 1 1.914 1 5 0 -11.2226153793589 3242768 CSC1=CC=C(C=C1)NC(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F 1 3.524 4 1 -0.13252433828085 3242767 CC1=C(C=C(C=C1)C(=O)NCCCN2CCOCC2)N3CCCC3=O 1 0.994 3 3 0 -17.8564496884543 3242766 C1C2CC3CC1CC(C2)(C3)CC(=O)NCSCC(=O)O 1 2.041 1 3 -11.1838546827398 3242765 COC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)NCCCN2CCOCC2 1 1.155 3 5 0 -21.0936263526235 3242763 CC1=C(C(=NN1C)C)S(=O)(=O)NC2=CC3=C(C=C2)OCO3 1 1.163 3 4 0 -3.6961344912614 3242762 C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)F 1 2.441 1 3 -2.65402459532202 3242759 CC1=C(C(=NC2=C3C(=NC(=NC3=NN12)N4CCOCC4)C5=CC=CC=C5)C)CCC(=O)O 1 2.24 6 3 0 -9.37342426012515 3242758 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)OC 1 2.754 0 5 -9.92511412664755 3242757 CN1C2=C(C=C(S2)C(=O)NCCOC)C(=N1)C3=CC=CC=C3F 1 2.74 3 2 -9.7557255142152 3242756 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)N3CCC4=CC=CC=C4C3)OC 1 3.561 2 4 -9.92293071722684 3242755 CCCCCC1CC(C(=O)O1)CC(=O)O 1 2.187 0 4 -6.91428062917686 3242754 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NOC4=C3CCCCC4 1 4.595 4 2 -16.3653507466709 3242753 CC1CCCN(C1)C(=O)CSCC(=O)N=C2N(C3=CC=CC=C3S2)C 1 3.132 3 2 -12.3145682717055 3242750 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCOC)OCC 1 2.738 2 4 -8.18648150741765 3242747 C1CCC2=C(CC1)ON=C2C(=O)NCC3=CC=CC=C3 1 3.343 2 2 -15.9083728285517 3242746 CCOC(=O)N1CCN(CC1)CC(=O)C2=CC3=C(C=C2)NCC3 1 1.668 3 3 0 -10.8491753487644 3242744 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)O 1 3.287 2 5 0 -9.08918603205652 3242743 CCOC(=O)N1CCN(CC1)C(=O)C2=CSC3=C2CCCCC3 1 2.954 2 3 -7.93488920335457 3242742 C1=COC(=C1)CNC(=O)CCNS(=O)(=O)C2=CC=CS2 1 0.6 2 4 0 -20.9292235420352 3242741 CC1=NN=C(N1N=CC2=CC(=CC=C2)OC3=CC=CC=C3)C 1 3.126 4 1 2.48177632930139 3242740 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.971 2 4 0 -20.6108156911948 3242739 C1CC2=CC=CC=C2N(C1)C(=O)C3=CN=C4C=CC=CN4C3=O 1 1.242 3 2 0 -15.4730258818766 3242738 CN(CC(=O)N1CCN(CC1)C2=CC=CC=C2)S(=O)(=O)C3=CN=CN3 1 -0.147 5 3 0 -2.8629566587872 3242735 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC(=CC(=C3)C)C 1 2.665 3 4 0 -22.8460240098603 3242734 CCOC(=O)C1=C2C(=NN1)C(=O)N(C2=O)CC3=CC=CC=C3 1 1.814 3 4 0 -6.01851296465523 3242733 COC1=C(C=C(C=C1)NC(=O)NC2=CC=CS2)OC 1 2.276 2 3 -10.0476852259944 3242732 CCCOC1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 2.059 2 6 0 -17.3888327949367 3242731 C1CCC(CC1)CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 4.026 3 3 -21.2128165923211 3242730 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCCC4 1 2.98 3 4 0 -25.7745222771072 3242729 CC(C)CC(C(=O)O)NC=C1C(=O)OC(OC1=O)(C)C 1 0.57 1 6 0 -14.3409863311225 3242728 CCC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3CCCO3 1 2.922 1 5 -17.5884876337877 3242723 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC4=C3CCC5=C4C=CC(=C5)OC 1 2.984 4 4 0 -15.6512007014656 3242721 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCC(=O)NCCC3=CC=CC=C3)OC 1 2.271 3 5 0 -19.4157179697896 3242720 CC1CCCN(C1)S(=O)(=O)C2=CC=C(S2)Br 1 2.538 1 2 -10.7465358112462 3242718 CC1=CC(=O)OC(=C1C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F)C 1 2.487 3 3 -6.76980392221059 3242717 C1CCC(CC1)NC(=O)CC2CCS(=O)(=O)C2 1 1.174 1 3 0 -18.9740306712174 3242716 CCCCOC1=CC=C(C=C1)CNN2C(=NC3=CC=CC=C3C2=O)C 1 3.439 3 2 -9.36277907598058 3242715 CC1=C(C=C(C=C1)C(=O)NC2=C(SCC2)C(=O)OC)C 1 2.158 1 3 -5.37697469276242 3242714 CC1=CC=CC(=C1)C2=NSC(=N2)SCC(=O)N3CCCC3 1 3.074 3 1 -4.63754096407916 3242712 CC(C(C1=CC=CS1)N2CCN(CC2)C)NC(=O)C3=CC(=CC=C3)F 1 3.176 3 1 -4.78087509545197 3242711 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCC(=O)O 1 1.11 2 5 0 -28.5301643394965 3242710 C1CC(C2=CC=CC=C2C1)NC(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5 1 1.769 2 3 0 -8.17539753285781 3242709 CC1=CC(=NC2=NC(=NN12)CC(=O)NC3CCCCCC3)C 1 2.464 5 1 -14.3399284917286 3242708 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NCC3=CC=CC=C3 1 2.088 5 1 -24.3616396507418 3242707 COC1=CC(=C(C=C1)OC)C2=NOC(C2)C(=O)NCCN3CCOCC3 1 0.599 3 5 0 -12.1134721611535 3242706 C1CN(CCN1C2=CC=CC=N2)C(=O)CCN3C(=O)COC4=CC=CC=C43 1 1.357 4 3 0 -8.23970889833469 3242703 COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=CS3 1 4.218 3 2 -11.8974640014948 3242702 COC1=CC=CC=C1CNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3OC 1 3.171 1 6 0 -16.1219976039953 3242701 C1CN(C2=CC=CC=C21)C(=O)CCN3C=CC=C3 1 2.294 2 1 -11.5187549326212 3242700 COC1=CC(=CC(=C1OC)OC)C2=NOC(C2)C(=O)N3CCOCC3 1 0.65 2 6 0 -14.298544247397 3242699 C1CCN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CS3 1 0.426 3 3 0 -17.4054506234126 3242698 CC1=CC=CC=C1NC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CS3)C#N 1 3.904 5 1 -18.336694536784 3242696 CC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)O 1 1.439 2 6 0 -17.1840790915245 3242695 CCOC1=CC=CC=C1NC(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C 1 2.994 5 3 0 -7.3316390944889 3242692 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=O 1 0.495 2 5 0 -11.2687108147919 3242691 CC1=CC=CC(=C1)C2=NC(=C(O2)C)CSCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 3.622 3 4 0 7.751560964244 3242690 COC1=CC=C(C=C1)C(CC(=O)NC2=NC=CS2)N3C=CC=C3 1 2.607 3 2 -7.68990405380422 3242689 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCC(=O)N3CCC(CC3)N4CCCCC4 1 1.379 4 3 0 -8.28385954705298 3242688 C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCOCC3 1 1.488 3 3 0 -6.72335272998022 3242687 COC1=CC=CC=C1CNC(=O)CCN2C(=O)COC3=CC=CC=C32 1 1.701 2 4 0 -16.6128666004588 3242685 CCCC(CCN(C)C)(C1=CC=C(C=C1)OC)O 1 2.623 1 2 -0.73160397555325 3242684 CC(C)CNC(=O)C1=NOC(=C1)C2=CC=C(C=C2)Br 1 3.67 2 2 -5.8130771515522 3242683 CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4 1 3.418 4 2 -5.79770510240871 3242682 CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3C4=CC=C(C=C4)F)C=C2 1 2.839 6 2 0 -17.9984789742369 3242681 CC1=C(N=C(O1)C2=CC=CC=C2Cl)CSCC(=O)N3CCCC3 1 2.952 2 2 2.54811560360113 3242680 C1=CSC(=C1)CNC(=O)NC2=CC=CS2 1 2.056 2 1 -9.0968583502516 3242679 CCOC(=O)CSC1=NC2=CC=CC=C2C3=NC(C(=O)N31)CC(=O)NCC4=CC5=C(C=C4)OCO5 1 2.818 4 6 0 -30.7839989648627 3242677 C1CN2C(=NC3=CC=CC=C32)CN1C(=O)NCC4=CC=CC=C4 1 2.475 4 1 -7.63321629729369 3242676 CC1=CC=C(C=C1)NC(=O)C2C3CC(N(C2=O)CCO)(OC4=CC=CC=C34)C 1 1.965 2 4 0 -4.32045075195902 3242673 CC1=C(C(=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)Br)C)C)C 1 4.266 2 2 -4.15133219764961 3242672 C1CN(CCN1C2=CC=CC=N2)C(=O)CCN3C(=O)C4CC=CCC4C3=O 1 0.966 4 3 0 -8.65334043675479 3242671 C1CCC(C1)NC(=O)C2=CSC3=C2CCCC3 1 3.485 1 1 -7.49440179522076 3242670 C1CC2=CC=CC=C2N(C1)C(=O)C3=NOC(=C3)C4=CC=CO4 1 3.439 2 3 -6.15306090771335 3242669 COC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCC3 1 0.669 3 4 0 -14.9789261319851 3242668 CN1C2=C(C=CC(=C2)NC(=O)NC3CC3)SC4=CC=CC=C4C1=O 1 2.714 3 2 -6.96880241424659 3242667 CC1=C(C=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC(=CC=C3)OC)N)C 1 2.202 6 3 0 -21.8783512406273 3242664 CCC(C)C(C(=O)NCCN1CCOCC1)NS(=O)(=O)C2=CC=C(C=C2)C 1 1.896 3 4 0 -24.7800960421038 3242663 C1CCN(C1)C2=C(C=C3C(=C2)[N+](=O)C4=C(N3[O-])CCC4)F 1 2.337 3 2 -4.37546780484013 3242662 C1=COC(=C1)CNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=C(C=C3)F 1 2.598 1 5 -10.9157874123847 3242661 CC1=CC=C(O1)C2C(C3=CC(=C(C=C3C(=O)N2C)OC)OC)C(=O)O 1 1.651 1 6 0 -10.059380619905 3242659 C1CC(C(=O)NC1)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 1.788 2 2 0 -9.95324587555679 3242657 COC(=O)CC1=C2C(C(=C(OC2=NN1)N)C#N)C3CCCC=C3 1 2.254 4 3 0 -8.94594886955423 3242656 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=C(S4)Br 1 2.344 2 5 0 -13.1773688912031 3242654 CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)NCC2CCCO2)C 1 2.172 2 4 -14.5640399877624 3242653 CC1CCCCN1CC2=CC=C(C=C2)C3=NNN=N3 1 2.667 5 0 -0.163871276890319 3242652 CC1=CC=C(C=C1)CN2C=NC3=C(C2=O)N=NN3C4=CC(=CC=C4)OC 1 3.321 5 2 0 -1.53505462854057 3242651 CCOC(=O)C1=C(C(=C(N1)C)C(=O)N(C)CC2=CC=CC=C2)C 1 3.048 2 3 -9.80247320257372 3242650 CCC(C)NC(=O)CCS(=O)(=O)C1=CC=C(S1)Br 1 2.268 1 3 -21.5256336951484 3242649 CC1=CC=C(C=C1)CN2C(=O)C3=CC4=CC=CC=C4N3C=N2 1 3.865 3 1 1.25223293168226 3242648 CCN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)NCC3=CC=CC=C3OC 1 1.952 3 4 0 -14.6312683666446 3242647 CCOC(=O)CC(=O)CSC1=NN2C(=NN=C2C3=CC=C(C=C3)C)C=C1 1 3.312 4 3 0 -10.1536329563538 3242645 C1=CC=C2C(=C1)C(=O)N(C=N2)NC(=O)C3=C(C=C(C=C3)F)Cl 1 2.659 3 2 -2.93331245033823 3242644 COC1=CC=CC(=C1)NC(=O)NC2=CC=CS2 1 2.293 2 2 -4.8712215179427 3242642 CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C 1 1.255 2 3 0 -17.1788882163979 3242641 CCOC(=O)CN1C2=CC=CC=C2C(=O)N(C1=O)C3CCCC3 1 2.434 2 4 -10.645170316171 3242640 C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 1.994 4 4 0 -10.5566704683539 3242638 CC1=CC(=NO1)NC(=O)C2=NOC(=C2)C3=CC=CC=C3OC 1 2.429 3 4 0 -13.3111424040634 3242637 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CN3CCC(CC3)C(=O)NCC4=CC=CO4 1 3.196 3 3 9.95547688144953 3242636 C1CCC(CC1)NC(=O)N2CCC(CC2)(C(=O)N)N3CCCCC3 1 1.385 4 2 0 -11.5037596597703 3242634 COC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)NC4=CC5=C(C=C4)OCCO5 1 3.991 4 3 0 -2.61991461210724 3242633 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5 1 0.161 8 2 0 -2.9529804253912 3242632 CC1CN(CCN1C2=CC=CC(=C2)C)C3=CC(=NC4=NN=NN34)C 1 2.713 7 0 0 -12.1725655431368 3242630 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCCN3C=NC=N3 1 1.329 3 4 0 -15.1543955477927 3242629 CCCN(CCC)CCCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=O)O2)C 1 2.403 3 4 0 -7.53055076377793 3242628 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C(=O)C4=CC=CC=C4N(C3=O)CC5=CN=CC=C5 1 2.069 4 5 0 -16.516267328908 3242627 CC1=NOC(=C1Cl)C(=O)NC2=CC=CC=C2C(F)(F)F 1 3.249 2 2 -3.16334401982084 3242626 CC1CCN(CC1)C(=O)CSC2=NN3C(=NN=C3C4=CC=CC=C4)C=C2 1 3.293 5 1 -14.0309915432933 3242623 CCOC1=CC=CC=C1C(=O)N2C(=C3C(=CC(=NC3=N2)C)C)N 1 2.789 4 2 -7.05681790365921 3242622 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3CCCC(C3)C(=O)NCC4=CC=CO4 1 3.331 3 3 12.1976153931424 3242621 COC1=CC=C(C=C1)CNC(=O)C2CC(=O)SC2 1 1.299 1 3 0 -9.14697033316398 3242620 CC1=NN([N+](=C1)[O-])C2=CC=C(C=C2)C(=O)O 1 0.475 3 3 0 -2.25487661061379 3242617 C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 1.973 3 5 0 -19.4689804110063 3242616 CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3CCCO3)C(=O)N1CC4=CC=CO4 1 2.624 3 6 0 -31.8901220752668 3242615 C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C(=O)C=CC(=N3)C4=CC=CC=C4 1 2.064 3 4 0 -10.8475010864819 3242613 C1C23C=CC(O2)C(C3C(=O)N1CC4=CN=CC=C4)C(=O)NCC5=CC=CC=C5 1 0.548 3 3 0 -6.27492837020587 3242612 CCN1CCCC1CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 1.867 5 3 0 -21.7981005846165 3242609 CC1=C(C(=NO1)C)S(=O)(=O)N(C)CC(=O)NCC2=CC=CC=C2 1 0.472 3 4 0 -15.3765833473048 3242608 CCOC(=O)C(C(=O)OCC)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2 1 1.923 2 7 0 -13.8795534304503 3242605 C1CCC2=C(C1)C3=C(S2)NC(NC3=O)C4=CC=NC=C4 1 2.467 3 1 -5.42550546717308 3242602 C1C(=NN2C(=NN=C2S1)C3=CN=CC=C3)C4=CC=CS4 1 2.522 5 0 -4.49522514375506 3242601 C1=CC=C(C=C1)C(=O)NN2C(=O)C3=C(C=CS3)NC2=O 1 1.557 3 3 0 -9.53642236297718 3242599 CC1=CC=C(C=C1)NC2=CC(=NC3=NN=NN23)C 1 2.094 6 0 -11.1311496479781 3242598 CC1=C(C=C(C=C1)C(=O)N(CN2CCCC2=O)C3=CC=CC=C3)C 1 3.429 2 2 -13.2499910185841 3242595 C1=CC(=CN=C1)C(=O)NC(C(=O)C2=CC=CS2)O 1 0.975 2 3 0 -12.5314875758191 3242594 CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)C 1 3.26 4 4 0 -21.9945632564126 3242593 C1CN(CCN1CC2=CC=CC=C2)C3=CC(=O)N(C(=O)N3)CC4=CC=C(C=C4)F 1 3.272 4 2 1.65262408998708 3242592 C1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=CC=C3Br)N 1 3.728 3 4 0 -7.75631697147284 3242591 CC1=C(C=C(C=C1)NC(=O)N2CCCN(C2)CC3=CC=C(C=C3)F)C 1 3.915 3 1 -1.23739262063562 3242590 CC1CCCCN1CCCNC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)C 1 2.695 4 2 -11.9778649693599 3242588 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4CCCC4 1 1.074 4 4 0 -12.2891189249218 3242587 CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43 1 2.236 4 4 0 -10.4637461347232 3242585 CC1=CC=C(C=C1)NC(=O)NC2=CC=CS2 1 2.795 2 1 -4.71756647696145 3242584 CN1C(=CC2=C1N=C3C=CC=CN3C2=O)C(=O)NCCC4=CCCCC4 1 2.588 4 2 -17.8977145393359 3242582 CC1=CC=C(C=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CN=CC=C3 1 2.546 2 4 -12.3448539780077 3242581 CC1=CC(=NN1CCC2=NN3C(=N2)C4=CC=CC=C4N(C3=O)CC(=O)NC5=C(C=C(C=C5)Cl)F)C 1 3.757 7 2 0 -7.40991355890894 3242579 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCCN3CCOCC3 1 1.217 4 3 0 -12.6510705676291 3242578 CCN(C1=CC=CC(=C1)C(F)(F)F)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 3.215 2 3 -15.5948206117514 3242577 COC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)C3=CC=CC=C3OC 1 3.281 2 4 -8.39979145879144 3242576 C1COCCN1CCCN(CC2=CC=CS2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.101 2 3 -6.95373646725802 3242573 CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NCC3=CC=CC=C3OC 1 2.508 2 4 -16.8228536339452 3242570 C1CC2(CC1C(=O)O)C(=O)NC(=O)N2 1 -0.504 2 4 0 -7.64500723408304 3242569 COC1=CC=C(C=C1)N2C(SCC2=O)C3=CC=NC=C3 1 2.072 2 2 -10.568450482222 3242568 CCC1=NNC(=O)C2=CC3=C(N21)C=CO3 1 1.73 3 2 0 -7.01416523453122 3242566 COC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC(=CC=C3)OC)N 1 1.214 6 4 0 -21.9935407846065 3242565 CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CO4 1 3.381 4 2 -17.2009302270136 3242564 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4 1 1.65 4 5 0 -7.78545447907778 3242563 CCC(C(=O)N1CCN(CC1)C2=CC=CC=N2)N3C(=O)C4=CC5=C(N4C(=N3)C)C=CO5 1 2.561 6 3 0 -7.45054499068565 3242562 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5 1 2.158 3 5 0 -15.4357952735328 3242561 CC(C)(C)NC(=O)C1CC(=NO1)C2=CC(=CC=C2)OC 1 1.72 2 3 0 -7.12705099632731 3242560 C1CC(CN(C1)S(=O)(=O)C2=CN=CC=C2)C(=O)NCC3=CC=C(C=C3)F 1 1.4 3 3 0 -19.8304201433074 3242558 CC1(C(N(C(=O)O1)C2=CN=CC=C2)(C)O)C 1 0.649 2 3 0 -2.48335245272641 3242557 CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C 1 2.617 2 6 0 -14.8992344952475 3242556 CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=CO2 1 0.164 2 4 0 -22.9599656496385 3242555 CCOC1=CC=CC=C1C2CC(=O)NC3=CC(=C(C(=C23)OC)OC)OC 1 2.842 1 5 -12.4647639676389 3242553 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=CC(=C(C=C3)OC)Cl 1 3.615 3 3 -5.90281680560874 3242552 CC1=CC=CN2C1=NC(=C2)CNC(=O)C3=CC=CO3 1 1.458 3 2 0 -10.7259589558855 3242551 CCOC1=CC(=CC(=C1OCC)OCC)C2=NOC(=C2C(=O)OC)N 1 2.461 2 6 0 -11.6911537537809 3242550 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2CCCC2 1 1.689 2 3 0 -11.6829821654834 3242546 CC1=C(C=C(N1CC(=O)NCC2=CC=CS2)C3=CC=CC=C3)C(=O)C 1 3.208 2 2 -15.8896443725544 3242545 CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCNS(=O)(=O)C3=CC=CC4=NON=C43 1 2.307 5 4 0 -10.8215262008398 3242544 CC1=NN(C2=C1C=C(S2)C(=O)NCCN3CCOCC3)C4=CC=CC=C4 1 2.404 4 2 -12.8895861320544 3242542 CC1=CC=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)N3CCC4=CC=CC=C43 1 2.282 3 3 -13.2969868840382 3242540 CCOC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)C=CC=N2 1 3.095 3 3 -12.1086765860628 3242538 C1CNC(=O)N(C1)CC2=C(C=C(C=C2)F)Cl 1 1.909 2 1 0 -8.75362243626079 3242535 CS(=O)(=O)N1CCCC(C1)C(=O)NCC=C 1 -0.198 2 3 0 -19.8935031075467 3242534 CC1(CC2=C(C(=O)CC3N2CCCC3)C(=O)C1)C 1 1.955 1 2 0 -10.2237187185754 3242532 CN1C=CC=C1CNC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.236 3 1 -5.29880840478903 3242531 C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CN=C4N(C3=O)CCS4 1 2.811 4 2 -7.66667044094335 3242530 CCOC1=CC=CC=C1NC(=O)C2=C(NC(=O)NC2C3=C(C(=CC=C3)OC)OC)C 1 2.293 3 5 0 -34.7252578665735 3242529 CCC1=CC=CC=C1NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC(=C3)C)N 1 2.668 6 2 0 -17.50860831722 3242528 CN1C(=CC=N1)C(=O)NC2=CC=C(C=C2)OC(=O)C3=CC=NN3C 1 1.929 5 3 0 -13.2520605066044 3242527 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3)C 1 3.413 3 3 -22.1746831168242 3242526 C1=CC=C(C=C1)C(=O)NN2C(=O)C3=C(C=CS3)N=C2SCC(=O)NC4=NC=CS4 1 2.657 5 3 0 -27.1691585897122 3242525 CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC(=O)OC 1 0.967 2 6 0 -20.2447711720966 3242524 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC4=CC=CC=C34 1 2.108 3 4 0 -14.5744014969496 3242523 CCN1CCN(CC1)C(=O)C2=CC3=C(S2)N=C4C=CC(=CC4=C3)OC 1 3.072 3 2 -1.03044922761319 3242521 CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3=CC=CC=N3 1 1.729 3 2 0 -7.40959488963962 3242520 C1COCCN1CCCNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl 1 2.283 3 3 -6.00354063752843 3242517 CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NC3CCCCC3)C4=CC(=CC=C4)OC)N 1 3.059 6 2 0 -15.7442268812599 3242516 CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3=CN=CC=C3 1 1.19 3 2 0 -8.1685508907701 3242515 CCOC1=C(C=C(C=C1)CNC(=O)CCN2C3=CC=CC=C3OC2=O)OC 1 2.753 2 5 0 -17.6105654085203 3242513 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CN5C4=NC6=C(C5=O)C=C(C=C6)Cl 1 2.685 4 4 0 -7.07082118653637 3242512 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(O3)C)OCC 1 3.717 2 4 -6.79479939897178 3242510 COC(=O)C1=CC=CC=C1NC(=O)C2CC(=NO2)C3=CC=C(C=C3)F 1 2.443 2 4 -9.75126399933714 3242509 C1CCC(CC1)NC(=O)CC2=CC=C(C=C2)N3C=CC=C3 1 3.807 2 1 -7.47842449599502 3242508 CCC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C1CCC(CC1)C 1 3.629 2 4 -30.8275584509965 3242507 CC1(NC(CC(=N1)C2=CC(=CC=C2)OC)C3=CC=CC=C3O)C 1 2.82 2 2 12.6964875650758 3242506 CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C)F 1 1.912 3 4 0 -8.08527690498477 3242505 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=C(C=C3)Cl 1 0.707 4 5 0 -24.0204881595238 3242504 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCC3=CC=CO3 1 0.487 5 3 0 -17.5017618497626 3242503 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O 1 2.803 1 7 0 -2.55600624915797 3242502 C1CN(CCC12OCCO2)C(=O)C3CC(=O)N(C3)C4=CC(=C(C=C4)F)Cl 1 1.45 2 4 0 -11.669061825656 3242501 CC(NC(=O)NC1=NN=C(S1)C(F)(F)F)N2C(=O)C3C4CC(C3C2=O)C=C4 1 0.858 5 3 0 -8.38471467660194 3242500 C1COCCN1C(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC=C(C=C4)F 1 2.274 2 3 -10.6347576902375 3242499 CN1C(=CC2=C1C3=CC=CC=C3O2)C(=O)NCC4=CC=CS4 1 3.747 2 2 -6.21128706640855 3242498 CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)NC3CCCC4=CC=CC=C34)N 1 3.689 5 1 -7.90229667666808 3242496 C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=O 1 3.425 4 3 0 -10.5737432410924 3242495 C1=CC(=C(C=C1Cl)Cl)OCCCC2=NC(=NO2)C3=NON=C3N 1 2.904 5 3 0 -0.154097470705593 3242493 C1CN2C(C(C3=CC=CC=C3C2=O)C(=O)N4CCC5(CC4)OCCO5)C6=CC=CC=C61 1 2.174 2 4 -11.3777563742337 3242492 CCOC(=O)CNC(=O)CN1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)Br 1 0.436 3 5 0 -24.5035358759654 3242491 C1CCCC(CCC1)N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4 1 3.396 3 2 -13.8063880137464 3242490 COC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)COC3=CC=CC=C3 1 2.02 1 5 -4.50947319156627 3242488 CCC1=NN=C(S1)NC=C2C(=O)OC(OC2=O)(C)C 1 0.157 3 4 0 -11.6415636761031 3242487 CC(C)OCCCNS(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C 1 0.799 2 4 0 -20.3895807993085 3242486 CC(C)C1C(=O)N2C(=N1)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=C(C=C4)O)O 1 4.066 3 4 0 -6.37656973398132 3242485 CC1=C(C=C(C=C1)C(=O)OC2=CN=C(C=C2)C)C 1 3.366 1 2 -7.51882024168017 3242484 C1CCN(C(C1)C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.03 2 4 -17.294140273754 3242483 CCC(=O)C1=CC=C(C=C1)OCC(CN2C=NC3=CC=CC=C32)O 1 3.079 2 3 -6.0286368158035 3242481 CC1CCCCC1NC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCCC3 1 2.192 3 3 -15.6283399701327 3242479 COC1=CC(=C(C=C1)OC)C2=CC(=NO2)C(=O)N3CCCC4=CC=CC=C43 1 4.011 2 4 -8.12582565320002 3242478 C1CCC(CC1)NC(=O)C2=C(N=CC=C2)C(=O)O 1 1.804 2 3 0 -9.63697961136571 3242477 CC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=C(N=N2)C(=O)OC)C(=O)OC 1 2.23 4 5 0 -17.0981932435279 3242475 CCCCN(C(=O)NC(=O)NC1=CC=CC=C1OCC)S(=O)(=O)C 1 2.168 3 5 0 -2.57709160974328 3242474 CCS(=O)(=O)NCC(C1=CN=CC=C1)N2CCN(CC2)C3=CC=CC=C3F 1 1.948 4 2 0 -12.1473620553818 3242473 CC(C(=O)N1CCCC2=C1C(=O)OC3=C2C=C(C=C3)O)N4CCC5=CC=CC=C5C4 1 3.327 2 4 -14.230725970813 3242471 C1=CC=C(C=C1)CNC2=C(C=C3C=CC(=O)C=C3O2)C(=O)N 1 1.374 2 3 0 -2.87693305400229 3242470 COC1=CC=C(C=C1)N2C(=O)C=C(NC2=O)N3CCOCC3 1 1.19 3 4 0 -4.51881685537998 3242469 C1CN(C(=N1)SCC2=C(C=CC=C2Cl)F)C(=O)C3=CC=CO3 1 4.157 2 2 -12.1233855186096 3242468 CC1=NC2=C(N1C3=CC(=C(C(=C3)OC)OC)OC)C=CC(=C2)C(=O)NCCOC 1 2.416 3 5 0 -13.6435044046847 3242467 CCOC(=O)N1CCN(CC1)C(=O)CN2C3=CC=CC=C3SC2=O 1 1.578 3 4 0 -6.11822420292753 3242466 C1C(N=C(O1)C2=CC=CS2)C3=CC=CC=C3 1 3.33 1 1 -1.7564285053707 3242465 CCCC(=O)NC1=C2CS(=O)(=O)CC2=NN1C3=CC=C(C=C3)OC 1 1.909 3 4 0 -10.8612890477039 3242463 COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCCC5=CC=CC=C54 1 3.849 5 1 -1.34324511246313 3242462 CCC(C(=O)N1CCCC1)SC2=C(C=CC=N2)C(=O)O 1 2.124 2 3 -13.8624918264686 3242461 CC(=NO)C1(N(C(C(=[N+]1[O-])C2=CC=C(C=C2)Br)(C)C)O)C 1 1.677 3 3 0 1.90555067816986 3242460 C1CC(OC1)CNS(=O)(=O)C2=CC(=C(S2)Br)Br 1 2.202 1 3 -9.83545017964021 3242459 C1CCC(=CC1)CCN2C(=O)C3=CC4=C(C=C3N=C2SCC(=O)NCC5=CC=CO5)OCO4 1 4.157 3 5 0 -24.8048598677275 3242458 C1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)O 1 2.386 1 2 -4.70454623205158 3242456 CCOCCCN1C(C(=O)N(CC1=O)C2CCCCC2)C3=CC(=C(C=C3)OC)OC 1 2.356 2 5 0 -16.7426258108715 3242454 COC1=CC(=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)COC3=CC=CC=C3)OC 1 2.003 1 6 0 -6.35036840888739 3242452 CC(C)N1C(CCC1=O)C(=O)N2CCCC3=CC=CC=C32 1 2.069 2 2 -13.0718030739438 3242451 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NC3CCCCC3 1 2.064 2 3 -7.70629333439234 3242450 CC(C)C1=CC(=NO1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.554 3 2 -14.1167875596734 3242448 CCCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC=CC=C4C)O2 1 3.026 1 4 -0.100978971100777 3242447 C1CCC2=C(C1)C(=CS2)C3=NN4C(=NN=C4S3)C5=CC=CC=C5 1 4.423 4 0 -4.42353536095584 3242445 CC(CCC1=CC=CO1)NC(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C 1 2.476 2 3 -13.949543350334 3242444 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCCC4=CC=CC=C43 1 4.027 2 3 -5.00018748539385 3242443 CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4CCCCC4 1 3.281 3 4 0 -9.30538896761734 3242442 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.426 2 7 0 -18.8344018156432 3242441 C1=CC(=C(C=C1Cl)F)NC(=O)C2=CC=C(O2)COC3=C(C(=C(C(=C3F)F)F)F)F 1 5.552 1 3 -1.64542070174502 3242439 CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=N2 1 1.673 4 3 0 -20.6604944845464 3242437 CC1=C(OC=N1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC 1 0.796 2 6 0 -20.7596603517099 3242435 C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)C5=CN=CN5 1 1.326 4 4 0 -10.1607526430591 3242434 CN1CCN(CC1)CC2=C(C3=C(C=CC=N3)C(=C2)COCC4=CC=CC=C4)O 1 3.192 3 2 4.56999206908547 3242433 COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NCCCN4CCOCC4 1 1.89 3 4 0 -6.20765216987658 3242432 CC1=C(C(=NO1)C)S(=O)(=O)NCCN2CCN(CC2)C3=CC=CC=C3 1 1.391 4 3 0 -3.83821217168291 3242431 C1CN(CCC12OCCO2)C(=O)CCC3=NC(=NO3)C4=CC=CC=C4F 1 1.38 3 4 0 -12.230816266111 3242429 C1CC(=O)N(C1)CCCNC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)F 1 1.454 3 4 0 -22.8093266380146 3242428 CCC(CC)C(=O)NCCC1=CC2=C(C=C(C=C2)OC)NC1=O 1 2.686 2 3 -11.9147944299143 3242426 CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)N4CCN(CC4)C5=NC=CC=N5 1 0.867 7 2 0 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CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)N4CCN(CC4)C 1 1.194 6 2 0 -9.13993271923652 3242404 CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3NC2=O 1 0.814 4 5 0 -14.1041074898246 3242403 C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NON=C32)C(=O)NCC4=CC5=C(C=C4)OCO5 1 1.683 4 6 0 -17.8362951037406 3242402 COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC4=CC=CC=C4)N=N2 1 4.285 5 1 -7.13480857212161 3242400 COC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)N3CCN4CCCC4C3 1 3.241 2 3 -3.72375999415463 3242396 CC1=CC2=C(C=C1)OCC(=O)N2CCC(=O)NCC3=CC=CC=C3OC 1 2.187 2 4 -16.1965844231578 3242394 CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC3=CC=CC=C32 1 1.676 3 2 0 -11.8539728146316 3242393 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=NOC(=C2)C3=CC=CS3 1 3.211 2 5 0 -11.4086848694658 3242392 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4CCCCC4 1 2.619 3 3 -20.0740804155994 3242391 CC1=CC(=NO1)N2C(N3CCCC3C2=O)C4=CC(=C(C=C4OC)OC)OC 1 2.45 3 5 0 -12.4514700659023 3242390 CCOC(=O)N1CCN(CC1)C(=O)CC(=O)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O 1 1.126 5 5 0 -15.8347179394063 3242386 C1COCCN1C(=O)C2=NOC(=C2)C3=CC=CS3 1 1.577 2 3 0 -8.24087570111341 3242384 COC1=CC=CC(=C1)CNC(=O)CN2C=CC=C2 1 1.756 2 2 0 -11.198997255788 3242383 C1CN(CCN1C2=CC=CC=C2F)C(=O)CN3C(=O)COC4=CC=CC=C43 1 1.926 3 3 0 -4.75564755693371 3242382 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)NC3CCCC3 1 3.116 2 3 -2.39802002835691 3242381 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCCCOC(C)C 1 0.58 2 4 0 -29.3638467602992 3242380 CCN1CCCC1CNC(=O)COC2=CC(=O)N(C3=CC=CC=C32)C 1 1.183 3 3 0 -13.9353154802518 3242379 COC1=CC=CC=C1N2CCN(CC2)C(=O)C(C3=CC=CC=C3)NS(=O)(=O)C4=CC=CS4 1 3.125 3 4 0 -14.7298395373858 3242378 CCOC1=CC=C(C=C1)NC(=O)N(CCC(C)C)C(C)C2=CC=CO2 1 4.314 2 3 -7.48208723423267 3242376 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CN3C4=C(C=CC(=C4)C(=O)OC)N5CCCC5C3=O 1 3.887 3 4 0 9.87670890482157 3242372 CCOC1=CC(=C(C=C1)OCC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3 1 2.79 2 5 0 -12.7844387564761 3242369 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 3.102 3 3 -7.18964801140066 3242368 C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)NC1=O 1 3.095 4 3 0 -6.34829124539292 3242367 CCC(C(=O)OCC)N1C=NC2=C(C1=O)OC3=CC=CC=C32 1 2.615 2 4 -6.82447466053814 3242365 C1=CC=C(C=C1)CNS(=O)(=O)C2=CN=CN2 1 0.336 3 2 0 0.215570778713922 3242364 CCCCCC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CO3 1 1.57 3 4 0 -22.9800875474532 3242363 CC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CCC4 1 2.856 2 3 -20.2994958582254 3242361 CCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CN2)C3=CC=CC=C3 1 0.86 5 3 0 -15.7513887475857 3242360 C1CCCN(CC1)C(=O)CN2CCN(C2=O)CC3=CC=CC=C3Cl 1 2.487 3 2 -13.1365707464571 3242359 CCN1C(=C(C=N1)C2=NOC(C2)C(=O)NCCC3=CC=CC=C3)C 1 1.854 4 2 0 -12.1114727503341 3242358 CC1=CC=C(C=C1)C2=C(C(=NS2(=O)=O)NCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C 1 2.603 4 4 0 -3.54410474338942 3242357 CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NCC3CCCO3)CC4=CC(=O)NC(=O)N4 1 1.799 6 4 0 -32.0741761999712 3242356 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4)C 1 2.944 3 4 0 -18.3974779582268 3242355 CC1=CC(=C(C=C1)C)N(C)S(=O)(=O)C2=CC=CC3=NSN=C32 1 3.624 3 2 -4.9608270042933 3242354 CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C(C)(C)C)N 1 3.348 3 4 0 -9.05065198418006 3242350 CN1C=NN=C1SCC2=CC=CC=C2Br 1 2.815 3 0 -12.3548286162784 3242349 CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCOC)CCOC)C(=O)C 1 0.781 3 6 0 -17.7791377479723 3242348 CC1CC(CN(C1)C(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S)C 1 3.533 3 2 -14.312906379194 3242347 CCN(CC)CCNC(=O)C1CCC(=O)N1CCC2=CC=CC=C2 1 1.771 3 2 0 -12.6937903337845 3242346 C1CCC(C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CO3 1 1.129 4 4 0 -24.2124792753029 3242343 CN(CC(=O)N1CCC(=CC1)C2=CC=CC=C2)S(=O)(=O)C3=CN=CN3 1 0.31 4 3 0 -7.19189645129606 3242342 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=NC(=CS3)C 1 1.588 3 4 0 -25.1217107942469 3242341 CCCN(CCC)C1=NC(=NC(=N1)NC2CCN(CC2)C(=O)OCC)OC 1 2.478 6 3 0 -10.8921596680948 3242336 C1CN(CCC12OCCO2)C3=NN4C(=NN=C4C5=CC=CC=C5)C=C3 1 1.924 5 2 0 -3.747077772044 3242335 CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCC)C3=CC(=C(C=C3)OC(=O)C)OCC 1 3.663 2 6 0 -28.7460714661346 3242334 CC1=CC(=CC=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F)C 1 3.654 4 1 -1.88978814531887 3242330 CC1CCCCC1NC(=O)C2CCN(CC2)S(=O)(=O)N3CCOCC3 1 0.506 3 4 0 -17.5324225037176 3242329 C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC5=C(C=C4S3)OCCO5 1 3.412 3 2 2.79964440627 3242327 CC(COC1=CC=C(C=C1)C(=NO)C2=CC=CC=C2)O 1 3.123 1 3 -1.78017287348997 3242326 COC1=CC=CC(=C1)NC(=O)CCS(=O)(=O)C2=CC=CS2 1 2.01 1 4 -13.1706032522586 3242325 CCS(=O)(=O)N1CCCC(C1)C(=O)NCCCN(C)CC2=CC=CC=C2 1 1.318 3 3 0 -19.4096136183664 3242324 C1COCCN1C(C2=CC=CC=C2)C3=NN=NN3CCOC(=O)NC4=CC=C(C=C4)Cl 1 2.89 6 3 0 -18.4418146364307 3242323 CC12CC(C3=C(O1)C=CC(=C3)Cl)NC(=O)N2CC4=CC=CC=C4 1 3.45 2 2 -0.835202462230106 3242322 C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl)CC(=O)NCC4=CC=CO4 1 3.66 3 3 -5.96339227669841 3242320 CCOC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F 1 2.353 5 4 0 -15.2979390796015 3242319 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CN4 1 1.624 5 3 0 -4.33062854761147 3242317 COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=CS2 1 2.316 1 4 -11.0739287646274 3242316 CN(C)C(=O)C1=CC=C(O1)COC2=CC=CC=C2Br 1 3.032 1 3 -5.60780545628286 3242314 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.508 1 5 -16.9200600293703 3242310 C1=CC(=C(C=C1N2C(=O)C3=C(C=CS3)NC2=O)Cl)F 1 3.17 2 2 -3.09870942424253 3242309 CCCNC(=O)C1=NOC(=C1)C2=CC(=C(C=C2)Cl)Cl 1 3.931 2 2 -5.87457820249927 3242308 CN1C(=O)CC(SC2=CC=CC=C21)C3=CC=CO3 1 2.532 1 2 -5.16817884998303 3242307 C1CCN(CC1)/C=C\2/C=C(OC2=O)C3=CC=CC=C3 1 2.49 1 2 -2.40486158162039 3242306 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C3=CN4C=CC=NC4=N3 1 2.312 4 2 -0.505560063616124 3242305 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC3=C(C=CC(=C3NC2=O)OC)OC 1 2.481 2 5 0 -9.60282904401921 3242304 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)N3CCN(CC3)C4CCCCC4 1 3.482 2 3 -1.65649410689457 3242303 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F 1 2.771 4 5 0 -19.0360797768061 3242302 CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NC2=CC=CC=N2 1 3.492 3 2 -16.9680101492744 3242301 CC1=CC=C(O1)C2C(=C(OC3=C2NC(=N3)C4=CC=CC=C4)N)C#N 1 2.834 4 2 -5.57157283492306 3242299 COCCN1CN(C(=S)SC1)CC2=CC=CO2 1 2.76 2 2 -5.15421685132971 3242298 COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 2.375 2 4 -6.5807483739505 3242297 C1=CC(=C(C=C1NS(=O)(=O)C2=CN=CN2)C(F)(F)F)Cl 1 1.936 3 2 0 1.49196193996927 3242296 CCOCCCNC(=O)CCS(=O)(=O)CC1=CC=C(C=C1)C 1 1.437 1 4 0 -20.1657417208192 3242294 C1CN(CC2=CC=CC=C21)C(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5 1 1.034 2 3 0 -10.9866846539435 3242293 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F 1 1.729 3 4 0 -16.9563700798449 3242291 C1=CC(=CC(=C1)F)C(=O)NC2=CC=C(C=C2)N3C(=CN=N3)C4=CC=CO4 1 3.784 4 2 -3.80298135862531 3242290 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCC4)C#N 1 2.533 4 5 0 -35.5873287804825 3242288 CC(=O)N(CC1CCCO1)C2(CCCCC2)C(=O)NC3CCCC3 1 2.328 2 3 -21.3186004450929 3242287 CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 0.854 2 6 0 -13.7145762335653 3242286 COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCC5(CC4)OCCO5 1 2.224 3 5 0 -12.0922472310143 3242285 CC1=C(SC(=N1)NC(=O)CCC(=O)O)C(=O)N(C)C 1 -0.22 3 4 0 -15.4015679911149 3242284 CC1CCCCN1CCNC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)F)Cl 1 2.612 3 2 -13.2853143028034 3242283 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CN3C(=CSC3=N2)C 1 1.78 3 2 0 -2.1656942756834 3242282 CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCCCCC2 1 2.374 2 2 -9.10450559575972 3242279 CCCC(=O)NC1=C2CSCC2=NN1C3=C(C=C(C=C3)C)C 1 3.914 3 1 -10.4131960618563 3242278 CC(C)C1=CC(=C(C=C1)O)NC(=O)C2=CC(=CN=C2)Br 1 3.164 2 2 0.343816118407627 3242274 CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)C4CCCCC4 1 4.5 2 3 -0.71284615708229 3242273 CC1CCOP(=S)(O1)N(C2=CC=C(C=C2)OC)C(=O)OC 1 2.538 1 5 -7.33415536176318 3242272 C1CC2=C(C3=CC=CC=C31)ON=C2C(=O)NCCCN4C=CN=C4 1 2.135 4 2 -7.06761097772026 3242270 CCCS(=O)(=O)N1CCC(CC1)C(=O)NC2CCC(CC2)C 1 2.033 2 3 -23.7851606100167 3242269 CC(C(C1=CC=CS1)N2CCN(CC2)C)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.878 3 2 -5.10800895440431 3242268 CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCC2=CN=CC=C2)C 1 1.897 3 3 0 -11.6719209819603 3242267 C1CCC2(CC1)NC(=O)C(=N2)C3=CC=C(C=C3)F 1 2.698 2 1 4.38093520098177 3242264 COC1=CC=CC=C1CN2C(=O)C3CC=CCC3C2=O 1 2.001 1 3 -4.2495018336977 3242263 CC1=CC=CC=C1CS(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CO3 1 2.879 1 5 -11.6484369462392 3242262 C1=COC(=C1)CNC(=O)CN2C=NC3=C(C2=O)N=NN3C4=CC=C(C=C4)F 1 1.299 6 3 0 -16.0847461392714 3242261 CCOC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O 1 3.226 5 4 0 -21.3359434788451 3242259 CCC(C)(C(=O)NC1CCCC1)N(C2=CC=CC=C2)C(=O)CNC(=O)C 1 1.997 3 3 0 -18.4080903681767 3242257 CC1=CC=C(O1)CNC(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 1.929 1 4 0 -16.8682640685823 3242256 C1CCC(CC1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.589 4 3 0 -13.171739504138 3242255 C1COCCN1C(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S 1 1.664 3 3 0 -13.945591102882 3242254 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=C(C(=CC=C2)Cl)C)C 1 3.986 2 3 -10.2421126838387 3242252 COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCOCC3 1 -0.104 3 5 0 -17.2828162259974 3242251 C1CCN(C1)C(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=C(C=C3)Cl 1 2.959 1 4 -6.08006508635771 3242250 CC1(C2=CC=CC=C2N(C13CCCC(=O)N3)C)C 1 2.483 2 1 -5.91639078125147 3242248 CC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)CC(C)C 1 2.483 5 2 0 -4.73187652722478 3242246 CC(C)C1=CC(=CC(=C1O)C(C)C)CN2CCN(CC2)CCC#N 1 3.986 3 1 1.63176474031 3242244 COC1=CC(=CC(=C1OC)OC)C(=O)NCCC(=O)NCC2=CC3=C(C=C2)OCO3 1 1.648 2 7 0 -21.7040559610058 3242242 C1CCC(CC1)NC(=O)C2(CCCCC2)NC(=O)CC3C(=O)NC(=O)N3 1 1.129 4 4 0 -26.0752355821337 3242241 CC1(CC2=C(C(C(=C(N2C3=C(C=CC(=C3)OC)OC)N)C#N)C4=CC(=C(C=C4)OC)O)C(=O)C1)C 1 3.774 3 5 0 -18.4328506829904 3242240 COCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3CCCCCC3 1 2.389 2 3 -13.221523017417 3242239 CC1CN(CC(O1)C)C(=O)C2=C3C(=CS2)OCCO3 1 1.425 1 4 0 -12.152746169023 3242237 C1CSC(N1S(=O)(=O)C2=CC=CC=C2)C3=CC=CO3 1 2.563 1 3 -21.2570285560434 3242236 CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2)OCO3)N4CCC5(CC4)OCCO5 1 3.702 2 5 0 -9.8142155253453 3242234 COC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4=CC=NC=C4)S2 1 2.699 4 2 -5.79250187296831 3242231 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCOC)C(=S)N 1 0.293 5 2 0 -18.7739639423087 3242230 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O 1 2.278 2 5 0 -20.5738235310156 3242227 CC1(CCC(=O)N1CC2=CC=C(C=C2)OC)C(=O)NC3CCCCCC3 1 3.223 2 3 -8.3027588208436 3242224 C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 2.964 3 3 -11.8214567967317 3242222 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)C4=CN5C=CC=NC5=N4 1 4.128 5 2 0 -8.42218840178998 3242220 CN1C2=C(C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=N4)C(=N1)C5=CC(=CC=C5)OC 1 3.873 5 2 0 1.06658804211441 3242219 COC1=C(C=C(C=C1)N2C(N3CCCC3C2=O)C4=CC=C(C=C4)F)Cl 1 4.214 2 2 -2.95564914219829 3242218 C1=CC=NC(=C1)CCSCC(=O)NC2=CN=CC=C2 1 1.177 3 1 0 -9.72405501943614 3242217 CC12CC(C3=CC=CC=C3O1)NC(=O)N2C4=CC=C(C=C4)C(=O)N5CCN(CC5)C6=CC=CC=N6 1 3.211 5 3 0 -6.61021114752038 3242216 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC5=C(C=C4)OCO5 1 2.168 4 5 0 -14.6729906912032 3242214 CCOC(=O)C1CCCN(C1)C(=O)C2=C(N3C=C(N=C3S2)C4=CC=C(C=C4)F)C 1 3.253 3 3 -4.36197030827022 3242213 C1CN(CCC1C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CN=CC=C3 1 -9.1e-002 4 3 0 -22.8325689431141 3242212 CN1CCN(CC1)CCCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3=O 1 2.561 3 3 -7.97602019766715 3242211 C1CN(C(=N1)SCC2=CN=CC=C2)C(=O)C3=CC4=CC=CC=C4O3 1 3.336 3 2 -6.88696357758195 3242210 CN1C2=C(C=C1C(=O)NCCN3CCOCC3)SC=C2 1 1.608 3 2 0 -6.41548111032048 3242208 CC1=CC(=NO1)NC(=O)C2=NOC(=C2)C3=CC=CO3 1 1.841 3 4 0 -11.9896133451976 3242207 CC1=CC(=O)C2=C(O1)C=CC(=C2O)O 1 1.417 0 4 0 1.84136515353565 3242206 C1C(=O)N(C(=O)CN1S(=O)(=O)C2=CC=C(C=C2)F)CCC3=CC=CC=C3 1 1.793 2 4 0 -13.1951429421592 3242204 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCN3C(=O)C4C5CC(C4C3=O)C=C5 1 1.459 3 3 0 -5.61034685274516 3242203 CCOC(=O)CCN1C2=C(C(=CC(=N2)C)C)C(=O)N1C3=CC=CC=C3 1 3.256 3 3 -9.50032164110657 3242202 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NOC(=C3)C4=CC(=CC=C4)Cl 1 4.213 3 3 2.85882011102724 3242201 CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)OC 1 3.29 3 4 0 -5.41918615059908 3242200 COCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 -0.568 3 7 0 -31.3296826988363 3242198 CC(=O)NCC(=O)NC1(CCCCC1)C(=O)NC2CCCC2 1 0.823 3 3 0 -18.6815254023388 3242197 C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)Cl 1 4.291 3 0 9.19620313938389 3242196 C1COCCN1CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3Cl 1 2.18 2 5 0 -10.954951727757 3242195 C1C(OC(ON1C(=O)C2=CC=CC=C2)C3=CC=CO3)COC4=CC=CC=C4 1 3.622 1 5 -7.28258895337688 3242194 CC(=O)NC1=CC=CC=C1NC(=O)COC2=CC=CC(=C2)OC 1 1.554 2 4 0 -9.98453046986353 3242193 COC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)N3CCCC3 1 2.051 2 3 -11.5800667797794 3242191 CCN(CCNC(=O)C1CCN(CC1)S(=O)(=O)CC)C2=CC=CC=C2 1 1.558 3 3 0 -22.9973761156737 3242190 C1CCN(C1)C(=O)CN2C=NC3=C(C2=O)N=NN3C4=CC(=CC=C4)Cl 1 1.659 6 2 0 -7.59899106150483 3242189 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CS4)C 1 3.081 4 4 0 -23.6891704656442 3242187 CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 1.893 3 3 0 -18.1577173795804 3242186 CC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)N(C)C4=CC=CC=C4 1 4.287 2 2 2.74204475088217 3242181 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.281 3 3 -7.85722421269341 3242180 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)N3CCC4=CC=CC=C4C3 1 2.369 5 1 -21.7362344751243 3242178 CCOC(=O)C1=C(OC(=C(C12C3=CC=CC=C3N(C2=O)CC(=O)N)C(=O)OCC=C)C)N 1 0.291 3 7 0 -14.3478284943773 3242176 C1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)CC3=CC=CC=C3 1 1.892 2 3 0 -18.7825028868893 3242175 C1CC2C(=O)N(C(N2C1)C3=CC=C(C=C3)Cl)C4=NC=CS4 1 3.022 3 1 -0.598876329302994 3242174 CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)N2CCC3(CC2)OCCO3 1 2.409 2 4 -23.0682020726523 3242172 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)N3CCCCC3 1 1.898 2 3 0 -8.74281305298477 3242171 C1CN(CCC12OCCO2)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4 1 1.891 1 6 0 -14.3068527177417 3242170 CN(C1=CC=CC=C1)C(=O)CN2C(=CC3=C2SC=C3)C(=O)OC 1 2.858 2 3 -7.23780732394159 3242167 CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C 1 2.102 3 5 0 -27.1213782439889 3242165 CC(C)(C)NC(=O)C1CC(=NO1)C2=CC=C(C=C2)OC 1 1.72 2 3 0 -10.1708735906033 3242164 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC 1 1.317 3 5 0 -23.706714768019 3242163 CCCS(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 1.669 3 3 0 -18.1112201532751 3242162 CC(C(=O)N1CCCCC1)NC(=O)C2=CN=CC=C2 1 0.554 3 2 0 -14.9935293706921 3242161 CC1=CC(=NC(=N1)NCC2=CC=C(C=C2)F)C(F)(F)F 1 3.351 3 0 1.44499163281555 3242160 COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)NCCN4CCOCC4 1 2.141 3 4 0 -10.1145666636906 3242158 CS(=O)(=O)C1=NC2=C(CCCC2)C(=N1)C(F)(F)F 1 2.989 2 2 -3.38354405927001 3242157 C1CC1C2=CC(=NN2C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4)C(F)(F)F 1 5.785 4 1 5.34723584410913 3242156 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCC(=CC3)C4=CC=CC=C4)C(=O)N(C1=O)C 1 1.487 4 5 0 -22.4601169373215 3242155 C1CCN(CC1)C(=O)C2CCCN2S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl 1 3.055 2 3 -12.480179268253 3242152 COC1=CC2=C(C=C1)C3=NNC(=C3CC2)C(=O)O 1 2.726 2 3 -1.15324320247326 3242151 CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)F)N4CCOCC4)O 1 2.373 4 2 -2.86284221953988 3242150 COC1=C(C(=C(C=C1)NC(=O)CN2C3=C(C=C2C(=O)OC)OC=C3)OC)OC 1 2.458 2 7 0 -10.5196346382737 3242149 COC(=O)C1=CC2=C(N1CC(=O)NC3=CC(=CC=C3)SC)C=CS2 1 3.607 2 3 -5.60281533650823 3242148 C1C2=CC=CC(=C2C(=O)N1CC3=CC=CC=N3)C(=O)NC4=CC=C(C=C4)F 1 2.635 3 2 -9.48618232864171 3242147 CC(C)(CO)NC1=NC(=NC(=N1)NCCC2=CC(=C(C=C2)OC)OC)OC 1 2.079 5 4 0 -10.2926748680018 3242145 CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)Cl)N4CCN(CC4)C5=CC=CC=C5F)O 1 4.979 5 1 3.1446631527983 3242144 C1=COC(=C1)CN2C(=O)C3=C(C=CC(=C3)Cl)NC2=O 1 2.2 2 3 -3.1068944420634 3242143 C1CC(OC1)CNC(=O)C2=CC3=C(S2)CS(=O)(=O)C3 1 0.714 1 4 0 -15.373988512776 3242142 CC1CCC(CC1)C(=O)NC(CCSC)C(=O)NCC2=CC=CO2 1 2.388 2 3 -24.9031554628225 3242141 C1CCC2=C(C1)C(=NO2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 4.662 3 2 -16.7314798510362 3242140 CCN(CCCNC(=O)C1CCC(=O)N1CC2=CC=C(C=C2)C)C3=CC=CC(=C3)C 1 3.808 3 2 -13.8918297590137 3242139 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC3=CC(=O)N(C4=CC=CC=C43)C)C 1 3.013 3 3 0.471716233981958 3242138 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NCC3CCCO3)Br 1 1.916 2 4 0 -17.3456273885394 3242137 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCC4(CC3)OCCO4 1 1.383 2 4 0 -11.0366189248526 3242136 C1COC2(C3=CC=CC=C3N(C2=O)CC(=O)O)OC1 1 0.269 1 5 0 -12.8533311563696 3242135 COC1=CC=C(C=C1)CNC(=O)C2=NOC3=C2CCCC3 1 2.871 2 3 -15.1520556187481 3242134 CCC1=C/C(=C/N(C)C2=CC=CC=C2)/C(=O)S1 1 3.092 1 1 -2.07538839408563 3242133 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N3CCCCCC3 1 2.134 2 3 -6.53618696980687 3242130 CCOC1=CC(=C(C=C1)OCC)NC(=O)CCCN2C(=O)C3=C(C2=O)N=CC=C3 1 2.01 3 5 0 -11.6761148069069 3242128 CCC1=CC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=NSN=C32 1 2.653 4 3 0 -9.02078390230337 3242127 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3242020 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)NCC4=CC5=C(C=C4)OCO5 1 0.522 2 5 0 -11.9964622315536 3242019 COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCC3 1 1.418 3 4 0 -15.4502109448229 3242018 CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)OC)SCC4=CC=C(O4)C(=O)OC)C(=O)N(C1=O)C 1 3.333 4 6 0 -11.0414425894585 3242017 CCOC(=O)CCN1C(=CC(=N1)C2=CC=CC=C2)N 1 2.108 3 2 -7.25008492382723 3242016 CC1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)NCC3=CC=C(C=C3)Cl)N)C 1 3.823 5 1 -10.0736558311458 3242015 C1CN(CC2=CC=CC=C21)C3=CC(=O)N(C(=O)N3)CC4=CC=C(C=C4)F 1 3.389 3 2 -2.99836358434992 3242014 COC1=CC(=C(C=C1)OC)C2=CC(=NO2)C(=O)NC3=CC(=CC=C3)Cl 1 3.938 2 4 -3.02378788425916 3242013 CCOC(=O)N1CCC(CC1)NC(=O)CC(C2=CC=CO2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 1.976 3 6 0 -19.1618335659053 3242012 C1CN(C2=C1C=C(C=C2)S(=O)(=O)NCC3=CC=CS3)C(=O)CCC(=O)O 1 1.31 2 5 0 -22.1168976837838 3242010 C1=CC=C(C=C1)NC2=NN=C(S2)SCCO 1 1.76 3 1 0 -7.14835611943771 3242009 CC1=CC=CC=C1NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)N 1 2.021 6 4 0 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2.457 3 4 0 -29.6879374535761 3241861 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCC3=CC=C(C=C3)F 1 1.51 5 2 0 -14.6363981497548 3241858 CN1C(=O)CC(C1=O)N2CCN(CC2)C(=O)CN3CCCC3 1 -0.877 4 3 0 -4.01663555986571 3241857 CC(=O)C1=CC(=CC=C1)NC(=O)C2CC(=NO2)C3=C(C(=CC=C3)OC)OC 1 2.089 2 5 0 -7.63090280442067 3241856 CC1=CC(=NC2=NC(=NN12)SCC(=O)N3CCC4(CC3)OCCO4)C 1 1.199 5 3 0 -17.7480611595053 3241855 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=C2N(CCS2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 0.757 4 6 0 -17.6465263516131 3241854 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=CC(=C3C)C 1 3.118 3 5 0 -18.6388930709679 3241853 C1CN(CCC12OCCO2)C(=O)CNS(=O)(=O)C3=CC=CS3 1 -0.142 2 5 0 -15.5758958652029 3241852 COCCCNC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC=CC=C3OC 1 2.251 3 3 -13.1395209123115 3241851 CCC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)OC 1 4.233 2 3 -2.74661920471588 3241849 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 1.103 4 4 0 -16.3550439263771 3241848 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=NN2 1 1.09 3 2 0 -7.33830063584889 3241847 CC1=NC2=C(N1C3=CC(=CC=C3)F)C=CC(=C2)C(=O)N4CCC5(CC4)OCCO5 1 3.073 3 3 -4.74237722231482 3241846 CC1=CC=C(O1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.324 2 4 0 -17.3316645735429 3241845 COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)F 1 1.821 2 4 0 -15.5538770392057 3241843 COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CC=C2 1 1.616 2 4 0 -17.0805689694506 3241842 CC1CCCCC1NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C 1 2.401 2 3 -14.7185934210641 3241841 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC(=O)N3CCC4(CC3)OCCO4)C 1 -0.236 4 5 0 -25.7989822289752 3241840 CCOC1=C(C=C(C=C1)CCNC(=O)CN2CCN(C2=O)CC3=CC=CC=C3C)OCC 1 3.299 3 4 0 -20.3986240815919 3241839 C1CCN(CC1)C(=O)CN2CC(=O)OC3=CC=CC=C32 1 1.628 2 3 0 -11.2791242483039 3241838 CC12CC(C3=CC=CC=C3O1)NC(=O)N2CC4=CC=CC=C4 1 2.786 2 2 -3.36222928162541 3241837 CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)C3=CC(=C(C=C3)C)C 1 2.268 2 4 -1.64147361111653 3241835 COC1=CC(=C(C=C1)OC)C2=NOC(C2)C(=O)NCC3CCCO3 1 1.131 2 5 0 -12.9269520963092 3241833 C1CC1C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)NCC4COC5=CC=CC=C5O4 1 2.363 2 5 0 -18.5229248349185 3241832 COC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC5=CC=CC=C5OC4=O 1 2.48 3 6 0 -12.4625625125558 3241831 CCCCCN1C2=CC=CC=C2N=C1CNC(=O)COC 1 2.393 3 2 -10.4833667237217 3241830 CC1=[N+](C2=C(C=CC=C2O)C=C1)[O-] 1 1.212 1 2 0 3.15494578405119 3241828 CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCN3CCN(CC3)C)OCC 1 2.965 4 3 0 -5.27035273522417 3241827 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=NC=C(C=C3)Br 1 2.205 3 3 -11.890878781527 3241826 COC(=O)C1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3CCCCC3 1 2.128 3 4 0 -5.97227957444761 3241823 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)NCCC3=CCCCC3)C(=O)O 1 3.779 1 5 -5.68205215911419 3241821 CCC(C(=O)N1CCN(CC1)C(=O)OCC)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43 1 2.675 4 4 0 -8.13903777543771 3241820 CCCCN(CCCC)CCCNC(=O)CC1C(=O)NC2=C(O1)C=CC(=C2)C 1 3.408 3 3 -18.3640094802086 3241819 CN(C1=CC=C(C=C1)Cl)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5 1 3.075 6 1 0 2.81577199719637 3241818 COC1=CC=C(C=C1)NC(=O)CCCCN2C(=O)C3=CC=CC=C3NC2=O 1 2.416 3 4 0 -13.1128859797163 3241816 C1CC2C(=O)N(C(N2C1)C3=CC=CC=C3)C4=CC=CC=N4 1 2.749 3 1 -2.77695502114114 3241814 CN1C(=CC2=C1N=C3C=CC=CN3C2=O)C(=O)NCC4CCCO4 1 0.619 4 3 0 -19.673206068544 3241811 CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=O)N(C1=O)CC3CCCO3 1 2.463 2 4 -12.6879226873505 3241809 CC1CC(CN(C1)CCCNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O)C 1 9.e-003 3 3 0 -15.5623394250175 3241808 CC1=CC=CC=C1CN2CCNC2=O 1 1.463 2 1 0 -11.2958684487762 3241807 CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)C(=O)N1C4=CC=C(C=C4)F 1 4.047 3 5 0 -29.7149858787362 3241804 CCOC(=O)N1CCN(CC1)C(=O)CCS(=O)(=O)C2=CC=C(S2)Br 1 1.433 2 5 0 -13.3972315046235 3241803 CC1=NN2C(=C(SC2=N1)C(C3=CC(=C(C(=C3)OC)OC)OC)N4CCC5(CC4)OCCO5)O 1 2.495 4 6 0 -7.36408814928405 3241802 C1CCN(C(C1)C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.609 2 5 0 -14.9426852278523 3241801 CC1=CC=C(C=C1)C(=O)NC2=C(SC(=N)N2CC=C)C#N 1 2.734 4 1 -11.4021399338018 3241799 CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4 1 2.994 3 3 -18.0948035758085 3241798 CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CN3)Br 1 1.45 4 3 0 -4.59635819735203 3241797 C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4 1 3.768 2 3 6.98016608178904 3241796 CCOC1=CC=CC=C1NC(=O)CSC2=NC=CN2C3=CC=CC=C3 1 3.552 3 2 -11.8406798369606 3241795 CC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OC)C)C(=O)C2 1 3.718 1 3 -8.62148554340481 3241794 CC1=CC=CC=C1N2C3=C(C(=O)OC4=CC=CC=C43)N=N2 1 3.915 3 2 -7.36510387870397 3241791 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3C4=C(C=CC(=C4)C(=O)OC)N5CCCC5C3=O 1 3.887 3 4 0 11.1997138872969 3241790 CCOC(=O)CN1C(=O)C(SC1=O)CC(=O)NC2=NC=CS2 1 0.324 3 5 0 -14.3622541151572 3241789 C1CCC(C(C1)C(=O)NC2=CN(N=C2)CC3=CC=CC=C3)C(=O)O 1 2.494 3 3 -8.74764791852072 3241788 CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 2.462 2 3 -21.8678334516024 3241787 CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)S(=O)(=O)C)C 1 3.254 2 3 -13.3970675216525 3241785 CC(C)CC(C(=O)NC1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)C 1 2.28 3 6 0 -31.8469581467578 3241784 CCCN1C(=O)C2=C(N=N1)SC3=C2CCC(C3)C 1 4.126 3 1 -20.8294001770158 3241783 CC1=CC(=NC2=NC(=C(N12)Br)CSC3=NC4=CC=CC=C4O3)C 1 4.141 4 1 0.272199839223134 3241782 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCC3=CC=CC=N3 1 0.854 3 3 0 -11.0124147947501 3241781 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3=CC(=CC=C3)OC 1 3.397 1 5 -0.991174507560024 3241779 CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)N=CN(C)C)C(=O)C 1 1.759 4 1 0 3.85461354174321 3241778 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CSC(=N2)C3=CN=CC=C3 1 0.89 4 3 0 -8.16530722909155 3241777 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)C3=CC(=C(C=C3)OC)OC 1 2.469 3 5 0 -11.5373877613259 3241776 CC1(C(CCC1(C)C(=O)NC2=CC=CC=C2)C(=O)OC)C 1 2.905 1 3 -5.23168257968828 3241775 COC1=CC=C(C=C1)CC(=O)NCC2=CN3C=CSC3=N2 1 1.326 3 2 0 -12.4554615124108 3241774 CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(O2)C)C(=O)OCC 1 1.249 2 6 0 -20.6660611808551 3241773 CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCCCOC 1 0.956 3 4 0 -23.2297052637324 3241772 CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CC=CC=N3 1 0.716 3 4 0 -18.7822021352467 3241771 COC1=CC=CC=C1CNC(=O)C2CC(=O)N(C2)C3CCCC3 1 1.702 2 3 0 -17.9911870470694 3241770 CC1(CCC(=O)N1CC2=CC=CC=C2)C(=O)NC3CCCC3 1 2.327 2 2 -8.35013900231098 3241769 CCOCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)CC2=CC=CC(=C2)C 1 2.394 1 5 -12.3686070311431 3241768 CC1=C(C=C(C(=C1)C2(C(=O)NCCN2)C(F)(F)F)O)C 1 2.082 2 2 -4.82552645027257 3241767 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.537 3 4 0 -17.6916002065966 3241765 C1CC(OC1)CN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S 1 2.35 3 3 -10.0641810317656 3241764 CC1=C(OC=N1)C(=O)NC2=NC=CS2 1 8.3e-002 3 2 0 -14.5226865837527 3241763 CC1(CC(=O)C2=C(O1)C=CC(=C2)OCC(=O)NCCN3CCCC4=CC=CC=C43)C 1 3.455 2 4 -25.4825816661352 3241762 C1CCCC(CC1)N2CC(CC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.399 2 4 -17.5136854582525 3241761 CCOC(=O)N1CCN(CC1)C(=O)CCSCCC2=CC=NC=C2 1 1.272 3 3 0 -8.82935703593469 3241760 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CN(C(=O)C4=C3C5=CC=CC=C5N4C)C 1 3.877 4 2 -2.21398271385367 3241758 CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCCN3CCCC3=O)C4=CNC5=CC=CC=C54 1 1.838 4 3 0 -21.8291572393015 3241757 CC(C)(C)C1=NN=C(S1)NC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4 1 1.028 4 3 0 -9.56738972921972 3241756 CCCC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=C(C=C4)F 1 4.226 2 2 -30.2904318002992 3241754 CCOC1=C2CCCC2=NC3=C1C=C(C=C3)Cl 1 4.077 1 1 2.86519777814295 3241753 C1COCCN1C(CNC(=O)C2=CC=CO2)C3=CN=CC=C3 1 0.721 3 3 0 -17.4930287407172 3241752 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=N3 1 0.474 4 4 0 -9.58786984874007 3241751 CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC(=CC=C3)OC)CC4=CC(=O)NC(=O)N4 1 1.826 6 4 0 -27.4296374517589 3241750 CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F)C 1 3.654 4 1 -3.77355092991126 3241748 CCOC(=O)CNC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.342 3 6 0 -27.4779850055738 3241747 COC1=CC=C(C=C1)S(=O)(=O)N2CC3C4CC(C3C2)C=C4 1 1.802 1 3 0 -9.99349848499197 3241746 CCCCC(C1=NC2=CC=CC=C2N1CCC)NC(=O)C 1 3.664 3 1 -9.23000574186433 3241745 C1CCC(C1)N2C(CCC2=O)C(=O)NCCC3=CC=C(C=C3)Cl 1 3.001 2 2 -10.5691222232548 3241743 C=C1C2(CCCCC2)OC(=O)N1CCCCCC(=O)O 1 2.968 1 4 -8.43431932637385 3241742 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4COC5=CC=CC=C5O4 1 2.387 2 7 0 -12.9183134271235 3241740 C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CS2)NS(=O)(=O)C3=CC=CS3 1 2.95 2 3 -18.2414339765236 3241739 C1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)N3CCOCC3 1 0.187 3 4 0 -15.0796269412809 3241738 C1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)Br)C3=CN4C=CC=NC4=N3 1 2.88 4 2 -1.72137582154001 3241737 CCCCCC1CC(=O)N(C(=O)N1)CC2=CC=CC=C2 1 3.147 2 2 -6.19250471753671 3241736 CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCC(C3)C 1 3.644 5 2 0 -14.1296683657119 3241735 C1=CSC(=C1)S(=O)(=O)NCCNS(=O)(=O)C2=CC=CS2 1 0.873 2 4 0 -7.79153727077563 3241734 CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=C(N2)CCCC3 1 2.821 4 2 -22.2212551676836 3241733 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NCCN3CCOCC3)Br 1 1.383 3 4 0 -15.6272160998953 3241732 C1=CC=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC#N 1 3.179 4 2 -28.1607991073461 3241731 CCS(=O)(=O)N1CCCC(C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 1.406 2 5 0 -25.7516979506431 3241730 CCOC(=O)C1CCN(CC1)C(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)O 1 2.375 2 5 0 -12.6788483533031 3241729 CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCCN(C)C 1 1.338 4 2 0 -6.54451887940548 3241727 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCC2=CC=CS2 1 2.48 1 3 -17.6563579562154 3241726 COC1=CC(=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3CCCCC3)OC 1 2.63 1 5 -3.97869305623016 3241725 CCOC1=C(C=C(C=C1)C2N3CCCC3C(=O)N2C4=NOC(=C4)C)OC 1 2.815 3 4 0 -12.516924194659 3241724 CCCCN(C)CCNC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)N3CCCCC3 1 3.328 4 2 -15.330570214266 3241722 CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCOCC3)C4=CC=CS4 1 1.536 2 5 0 -13.9487892040085 3241720 CCCCCC(=O)NC1=NC=C(C=C1)Cl 1 3.038 2 1 -6.76231996031099 3241717 CCCN1CCN(CC1)CCCNC(=O)CN2C(=O)COC3=CC=CC=C32 1 0.916 4 3 0 -11.5816772961076 3241715 CC1=CC=CC=C1CN2CCN(C2=O)CC(=O)NCC3=CC=CC=C3 1 2.313 3 2 -16.301015226265 3241714 C1CCC2=C(C1)C(=NO2)C(=O)NCCCN3C=CN=C3 1 1.108 4 2 0 -13.5714218308711 3241712 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4=CN=CC=C4 1 2.586 3 4 0 -13.0494267569135 3241711 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)N(N=C3C4=CC(=CC=C4)OC)C 1 3.666 3 4 0 -6.49819656274749 3241710 CCOC(=O)CCC1=CC=CC2=C1CCC2=O 1 2.59 0 3 -11.3728556522057 3241709 CCN1C(=C(SC1=S)C(=O)NCC2=CN=CC=C2)N 1 1.426 4 1 0 -11.1530680648058 3241708 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCCC3)NC(=O)C 1 2.414 2 4 -16.5824716534897 3241707 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N2C)C=CS3)OCC 1 4.351 2 3 -9.2356634684745 3241706 CN1C(=NC2=CC=C(C=C2)N3CCOCC3)C=CC4=CC=CC=C41 1 3.145 3 1 3.96729303822284 3241705 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)CC(CC4)C 1 2.579 4 5 0 -26.8856352117704 3241704 C1=CC=C2C(=C1)C(=O)C(=CNC3=CC=CC=C3O)C2=O 1 2.335 1 3 1.11739457971242 3241703 CCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C(=O)OCC 1 1.954 6 4 0 -9.31462636888764 3241701 C1CC(OC1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3COC4=CC=CC=C4O3 1 1.954 2 5 0 -19.0224998287272 3241700 C1CC(C2=CC=CC=C2C1)NS(=O)(=O)C3=CN=CN3 1 1.352 3 2 0 -2.26690001269817 3241699 C1CN(CCC1C(=O)NCCC2=CC=CC=C2)C3=NC4=CC=CC=C4O3 1 3.024 3 2 -10.5660438786981 3241698 CC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NCC4CCCO4 1 2.433 3 3 -25.6046676364596 3241697 CCOC1=C(C=C(C=C1)CCNC(=O)C(C)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4)OCC 1 3.383 4 5 0 -16.3977116805873 3241696 CCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CN2)C3=CC=CC(=C3)C 1 1.347 5 3 0 -13.6641041100502 3241694 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)N4CCCC4 1 0.555 3 5 0 -21.4785317227355 3241693 CCN1C2=C(C=C1C(=O)N3CCC(CC3)CC4=CC=CC=C4)SC=C2 1 4.994 2 1 -1.32606504717711 3241690 C1=CC=C(C=C1)C2=NOC(=N2)C3=CC4=CC=CC=C4C=C3 1 4.053 2 1 10.9723734630226 3241689 CN(CCNC(=O)CN1CCN(C1=O)CC2=CC=CC=C2Cl)CC3=CC=CC=C3 1 2.63 4 2 -10.9704752720794 3241687 C1CN(CCN1CC(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)F 1 1.951 3 3 0 -19.4008617142677 3241684 C1CC(OC1)CNC(=O)C2CCC(=O)N2CCC3=CC=CC=C3 1 1.293 2 3 0 -15.6216680202975 3241680 CCN1CCN(CC1)CCCNC(=O)C(C(C)C)NC(=O)C2CCC(CC2)C 1 2.646 4 2 -22.9277769111301 3241679 C1CCCC(CC1)NC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CN=CC=C4 1 2.94 3 2 -12.2312384721364 3241678 CCOC(=O)CC1=C(C(C(=C(O1)N)C(=O)OCC)C2=CN=CC=C2)C#N 1 0.768 3 5 0 -16.8198609642341 3241673 CCCCC(=O)NC1=NC2=C(C(=C1)C)C(=O)OC3=CC=CC=C32 1 3.953 2 3 -9.06844901944892 3241672 CC1=CN=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C 1 1.095 4 4 0 -11.9714685182743 3241671 CCC1CCCCN1CCNC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 2.751 3 2 -10.3328030107587 3241669 CCN(CC)S(=O)(=O)CCP(=O)(CN1CCCCC1)O 1 0.535 2 4 0 -9.09776841755003 3241666 CC1=C(C(=NC2=NC(=NN12)SCC(=O)NCC3=CC=CO3)C)CC4=CC=CC=C4 1 3.668 5 2 0 -22.3114646125113 3241665 CC1=CC(=NO1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)Cl 1 3.022 4 2 -14.0423253370053 3241663 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3241538 CCOC(=O)CN1C=NC2=C(C1=O)N=NN2C3=CC=C(C=C3)C 1 1.81 5 3 0 -8.42481678902604 3241537 CCC1=NC2=CC=CC=C2C(=O)N1CCCCN3C(=NC4=CC=CC=C4C3=O)CC 1 3.865 4 2 -4.57468610711093 3241536 CC1(CCC(=O)N1CCN2CCOCC2)C(=O)NC3CCCCCCC3 1 1.939 3 3 0 -12.925440070301 3241535 COC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl)Cl 1 2.862 4 3 0 -6.1965560011244 3241534 CC1=C(C(=NO1)C)S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 0.233 3 5 0 -9.83020496355783 3241532 COC(=O)C1=CC=C(O1)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F 1 2.39 3 5 0 -22.8735238380565 3241531 CC1=CC(=NO1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=C(C=C4)OC 1 2.527 3 4 0 -10.6908521522642 3241528 CC1=CC=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)OCCO3)NC(=O)CNC(=O)C 1 1.06 3 5 0 -19.5661937908735 3241527 CC1=C(C=C(C=C1)NC(=O)N(C2CCCC2)C3CCN(CC3)C(=O)C)C 1 2.897 3 2 -6.20427465769783 3241525 CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)OCC 1 2.554 1 4 -4.343019489722 3241524 CCOC(=O)CCC1=C(N2C(=NC=N2)N=C1C)C 1 1.501 4 2 0 -18.7032161112491 3241523 C1CCN(C1)CCCNC(=O)C2=CC(=CC=C2)N3CCCC3=O 1 1.281 3 2 0 -18.623762362832 3241522 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5)C 1 4.347 4 4 0 -2.77650135627905 3241521 COC(=O)C(CCSC)NC(=O)CNC(=O)C1CCCCC1 1 1.078 2 4 0 -21.4783441465809 3241520 CC1=CC=CC=C1CS(=O)(=O)CC2=CC=C(O2)C(=O)N3CCOCC3 1 2.007 1 5 -9.74820702275266 3241518 CN1C2=C(C=C(S2)C(=O)N3CCC(CC3)N4CCCCC4)C(=N1)C5=CC=C(C=C5)Cl 1 4.564 4 1 1.14934699172557 3241517 C1CN(CC=C1C2=CC=CC=C2)C(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5 1 1.462 2 3 0 -8.31045040020635 3241516 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=C4Cl 1 3.531 4 4 0 -15.1753848090042 3241515 CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4 1 4.345 3 2 -5.85468334927014 3241514 C1CCC2(C1)NC(=O)C(=N2)C3=CC=C(C=C3)Cl 1 2.701 2 1 5.84552538027142 3241513 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC5=C(C=C4)OCO5)OC 1 3.282 3 6 0 -9.61732517089997 3241512 C1CC2=C(C(C(=C(N2C3=CC=CC=C3C#N)N)C#N)C4=CSC=C4)C(=O)C1 1 3.148 4 1 -18.1149157349718 3241510 CN1CCN(CC1)CCCNC(=O)CCCOC2=CC(=O)N(C3=CC=CC=C32)C 1 0.933 4 3 0 -11.0552311735153 3241509 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC=CS4 1 2.353 4 3 0 -17.5787318038357 3241508 CC1=CC(=NO1)NC(=O)C2=NOC3=C2CCCCC3 1 2.475 3 3 -20.0263524973351 3241507 CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)O 1 2.535 0 5 -3.28944946305424 3241506 CC1=NN(C(=C1)NC(=O)C2=NOC3=C2CCCC3)C4=CC=CC=C4 1 3.514 4 2 -14.4106727796119 3241505 CC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)OC)C(=O)NC(C)C 1 2.74 3 2 -5.5675559621773 3241504 CCOC(=O)N1CCC(CC1)NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 1 3.028 5 3 0 -13.302029334106 3241502 CCCCNC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.976 4 3 0 -19.2180789107443 3241501 CC1=CC(=C(C=C1)NC(=O)CN2C=CC=C2)Br 1 3 2 1 -5.4740190055504 3241499 COCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCCO3 1 1.524 3 4 0 -31.143045545334 3241498 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F 1 1.739 4 3 0 -7.21918613802074 3241496 CC1=CC(=CC=C1)N(CC2=NN=C3N2CCCCC3)C(=O)NC4=CC=CC=C4 1 3.99 5 1 -10.5024332231882 3241495 CCCCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)N2CCOCC2)C3=CC=CC=C3 1 1.531 4 4 0 -22.3857183163584 3241494 C1CN(CCC1C(=O)NC2=CC=CC=N2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.162 5 4 0 -8.933707185111 3241493 COC1=C(C=C(C=C1)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)OC)OC 1 2.333 2 5 0 -6.66403507391134 3241492 C1CN(CCN1CC(=O)N)C2=CC=CC=C2F 1 1.008 3 1 0 0.229007677643537 3241491 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCCCOC 1 -0.146 2 4 0 -28.1056389121104 3241490 CCOC(=O)NCC1=CC2=C(C=C1)N(C(=C2)C)C 1 2.594 2 2 -7.39429767698015 3241489 CCN(CC)CCCNC(=O)C1=NOC(=C1)C2=CC(=C(C=C2)Cl)Cl 1 3.958 3 2 -5.99379244809824 3241487 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCN(CC5)C 1 3.093 4 3 0 -3.16442665956009 3241485 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CC=C(O3)C 1 1.327 2 5 0 -14.879142673117 3241484 C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=NC=CS4 1 -8.e-003 3 3 0 -10.0672490066328 3241483 COCCN1CC2=CC=CC(=C2C1=O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.426 2 5 0 -15.8314936000085 3241482 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCC3=NS(=O)(=O)C4=CC=CC=C4N3 1 2.23 4 4 0 -10.1958641831256 3241481 CC1=NN=C2N1N=C(C=C2)N3CCC4(CC3)OCCO4 1 0.259 5 2 0 -7.21166206874711 3241480 C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=O)N=NN4)N5CCOCC5 1 3.73 5 2 0 -12.1191626966608 3241479 CC1CC2=CC=CC=C2N1C(=O)CSCC(=O)O 1 1.571 1 3 0 -12.4519640667286 3241478 C1CCCC(CC1)N2CC(CC2=O)C(=O)NCC3CCCO3 1 1.406 2 3 0 -20.0806304602468 3241475 CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)C3=CN=CC=C3 1 2.168 4 1 -9.19522492238716 3241471 C1=CN2C(=NC3=C(C2=O)C=C(C=C3)Br)C(=C1)C(=O)NCC4=CC=CO4 1 2.019 3 3 -15.5137456759892 3241469 CCOC(=O)CC(=O)CSC1=NN2C(=NN=C2C3=CC=C(C=C3)F)C=C1 1 3.031 4 3 0 -9.4417559308885 3241468 C1CCC(=CC1)CCN2C(=O)C3=C(NC2=S)N=CC=C3 1 3.858 3 1 -6.19956539997005 3241466 CC1=C(N=C(N1)C2=CC=CO2)C(=O)O 1 1.241 2 3 0 -0.173465228201594 3241464 CCOC1=C(C(=CC(=C1)C2CC(=O)NC3=C2C(=O)C(C(C3)C)C(=O)OC)Cl)O 1 2.388 1 6 0 -13.3579914678807 3241463 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(NN=C3)C4=CC=C(C=C4)F 1 2.449 6 1 0 -5.24892226491694 3241462 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.073 5 4 0 -17.0435291124452 3241461 COC1=CC(=C(C=C1)NC2=CC(=O)N(C(=O)N2)C3CCCCC3)OC 1 3.086 3 4 0 -7.09134755767364 3241459 CNC(=O)CN1C(=O)C2C3CC(C2C1=O)C=C3 1 -0.83 2 3 0 -7.70640092878383 3241457 COC(=O)C1=CC2=C(N1CC(=O)NCC3CCCO3)SC=C2 1 1.434 2 4 0 -18.3803963861558 3241456 CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)N4CCCCC4)C 1 3.915 2 4 -10.6032761639689 3241454 COC(=O)CSC1=NSC(=N1)SCC(=O)OC 1 1.718 2 4 0 -12.9418100179956 3241453 CCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)OCC 1 2.28 3 5 0 -21.8931062006474 3241452 CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=CS2 1 0.722 2 3 0 -23.6547308172731 3241451 CC1=CC=C(C=C1)CN2C(CCC2=O)C(=O)NCC3CCCO3 1 1.458 2 3 0 -15.8924584416538 3241450 CCN(CC)S(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)C 1 1.408 3 3 0 -18.4816915744374 3241449 CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4 1 3.669 3 3 -15.9945317846394 3241448 CCOC(=O)C(C)N1C(=O)C2=C(C(=N1)C)SC3=CC=CC=C32 1 2.733 2 3 -6.45900491192969 3241447 CC1=CC=C(C=C1)C(=O)C2CC(=O)OC2 1 1.856 0 3 0 0.728668588845911 3241446 CC(C)NC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Br 1 1.523 2 3 0 -19.5862329292646 3241443 CCCCN(CC)CCCNC(=O)CC1C(=O)NC2=CC=CC=C2N1 1 1.767 4 2 0 -23.6539291930194 3241441 CCCCCCNC(=O)CCNC(=O)C1=CC(=C(C(=C1)OC)OC)OC 1 2.537 2 5 0 -22.2086561924375 3241440 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NCCN3CCCCCC3 1 2.891 3 3 -11.1866862411877 3241439 CCOC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CCN4CCOCC4)C(=O)O 1 -0.626 2 5 0 -9.19083105299979 3241438 CC1=CC=CC=C1CN2C(=C(N=N2)C(=O)NC3=C(C=CC(=C3)OC)OC)N 1 2.64 5 3 0 -17.0915229789989 3241437 CCOC(=O)N1CCC(CC1)NC(=O)CCC2=C(N3C(=NC(=N3)C)N=C2C)C 1 0.823 6 3 0 -19.9508227848983 3241436 CC(C)NC(=O)C1CCN(CC1)C(=O)C2=CC3=C(N2CC4=CC=C(C=C4)F)C=CS3 1 4.183 3 2 -14.1291638034236 3241435 CC1=CC(=O)OC(=C1C(=O)NCCC(C)C)C 1 2.032 1 3 -14.7872613177458 3241434 COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCC(=O)N4CCCC4 1 3.462 4 3 0 -9.35898174417031 3241432 C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)NC2=S 1 2.474 3 4 0 -20.5590979150542 3241431 CCOC(=O)C1=C(N(N=N1)CC(=O)NC2=CC=CC=C2OC)C(=O)OCC 1 1.76 4 6 0 -21.3759331185944 3241430 C1COCCN1CCNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl 1 2.221 3 3 -5.81075319901295 3241429 CS(=O)(=O)N1CCCC(C1)C(=O)NC2CCCCCCC2 1 1.956 2 3 0 -15.4427653286903 3241427 CC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4 1 4.144 3 2 -13.0899101940206 3241426 COC1=CC=CC(=C1OCC#N)C=NN2C=NC=N2 1 1.138 5 2 0 -9.21185176979152 3241423 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5 1 3.754 5 2 0 -23.5958384972108 3241422 C1CN(CCC1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N5C3=NN=N5 1 2.974 6 0 -1.84982606322025e-002 3241421 CCCCNC(=O)CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)N3CC(CC(C3)C)C 1 2.434 4 4 0 -24.4730494331033 3241420 CC1=CC(=NO1)NC(=O)C2=NOC(=C2)C3=C(C=CC(=C3)OC)OC 1 2.412 3 5 0 -14.0597723172091 3241419 CCCNC(=O)C1=NOC(=C1)C2=CC=C(C=C2)Br 1 3.351 2 2 -6.66172453094412 3241418 CCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 3.891 1 4 -12.2176192115516 3241417 C1CC2=NN(C(=C2C(=O)C1)C3=CC=NC=C3)C4=CC=CC=C4 1 3.244 3 1 -0.928630654467753 3241416 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCN3CCCCCC3)OC1=O 1 1.969 3 4 0 -5.02114331127264 3241415 CCN1C2=C(C=C1C(=O)N3CCC(CC3)C(=O)N4CCC5(CC4)OCCO5)SC=C2 1 2.287 3 4 0 -10.2308851174661 3241414 CCC(=O)N1CCN=C1SCC2=CC=C(C=C2)Cl 1 3.559 2 1 -10.374450195402 3241413 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)N4CCOCC4 1 1.046 4 5 0 -15.193537621766 3241412 CC1=CC=CC=C1OCC2=NC(=NO2)C3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)OC 1 4.269 3 4 0 -2.34082286120398 3241411 CCCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC3=C(C=C2)OCO3 1 3.004 1 6 0 -13.0278856908164 3241410 C1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.199 2 2 -15.4741878862484 3241407 CC1=C(SC(=N1)NC2=NC3=C(S2)C=C(C=C3)OC)C(=O)C 1 2.663 3 2 -3.46784525302944 3241406 CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)NCCC4=CCCCC4 1 4.58 3 2 5.7350491771621 3241404 C1C(OC2=CC=CC=C2O1)CNC(=O)CCNC(=O)CN3C=NC4=CC=CC=C4C3=O 1 0.787 4 5 0 -22.7363556838067 3241402 C1COC2=C(O1)C=CC(=C2)NC3=C(N=C4N3C=CC=N4)C5=CC=C(C=C5)O 1 3.765 4 3 0 -0.32707429182395 3241399 CCC(C(=O)N1CCOCC1)N2C3=C(C=C2C(=O)OC)OC=C3 1 1.832 2 5 0 -11.8168584441241 3241398 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=CC=C3C(F)(F)F 1 2.567 2 4 -19.2840065996747 3241395 CC12CN3CC(C1=O)(CN(C2)C3C4=CC=NC=C4)C 1 1.149 3 1 0 -5.14146627608787 3241394 C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)NC4=CC=CC=C4C(F)(F)F 1 2.784 4 2 -9.30085443688016 3241393 C1CN(CCN1CCNC(=O)CCN2C(=O)COC3=CC=CC=C32)C4=CC(=CC=C4)Cl 1 2.566 4 3 0 -6.33962390471754 3241391 C1OC2=C(O1)C=C(C=C2)CNC3=CC(=O)N(C(=O)N3)C4=CC=C(C=C4)Cl 1 2.999 3 4 0 -2.60874787236532 3241390 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NCCC3=CC=CC=C3)OC 1 3.602 2 4 -9.42861092313757 3241387 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3CCC(CC3)C(=O)NC4CCCCC4)OCC 1 4.245 3 5 0 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C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NCC4=CC=CO4 1 2.785 3 2 -10.3653362345978 3241369 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C)C)C(=O)NC4=CC=C(C=C4)F 1 3.494 5 1 -7.15677909166715 3241366 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 1 2.123 4 6 0 -34.9018211035525 3241365 CCOC(=O)C1=CC=C(O1)CNC(=O)C2CCCCC2C(=O)OCC(F)(F)F 1 3.178 1 6 0 -10.746198714854 3241363 CCOC(=O)CC(=O)CSC1=NN=C(N1C)CN2C3=CC=CC=C3SC2=O 1 2.501 4 4 0 -13.2480099401625 3241361 C1CCC(C1)NC(=O)CC(C2=CC=CO2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.016 2 4 -17.1396291514595 3241360 COC(=O)C1=C(N(N=N1)CC(=O)NC2=CC(=CC=C2)Cl)C(=O)OC 1 1.744 4 5 0 -14.7740261896975 3241359 C1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)C3=CC=CO3 1 2.709 2 3 -7.74627817099535 3241358 CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3 1 2.312 3 4 0 -10.5770140764629 3241356 CC1=CC=CC=C1N2C(=C3CSCC3=N2)NC(=O)C4=CC=C(O4)Br 1 3.932 3 2 -7.83113642246207 3241355 C1CCC2=C(CC1)ON=C2C(=O)NCC3=CC=CS3 1 3.083 2 2 -17.9418097659492 3241354 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CC1=C(C=C(C=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NCC4CCCO4)C)N)Cl 1 2.727 6 2 0 -21.1126118895379 3241289 COC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC(=O)NCC4=CC=CO4 1 3.718 4 3 0 -12.6365732547494 3241288 C1CN2C(=NC3=CC=CC=C32)CN1C(=O)NC4=CC=CC=C4 1 2.469 4 1 -4.89248983692648 3241287 C1CN(CCC12OCCO2)C(=O)CCCN3C(=O)C4=C(C=C(C=C4)Cl)NC3=O 1 1.334 3 5 0 -12.9360689686403 3241286 CC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C 1 2.035 3 4 0 -17.3381479267019 3241285 CCCCN1C2=CC=CC=C2N=C1C(C)NC(=O)COC 1 2.421 3 2 -14.2684576709581 3241282 CCOCCCNC(=O)C1C2C3=CC=CC=C3CCN2C(=O)C4=CC=CC=C14 1 2.183 2 3 -16.1437192334751 3241280 C1=CC=C(C=C1)CCNC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4 1 2.271 5 2 0 -14.1089191921627 3241279 CCC1=CC(=CC=C1)NC2=C(C(=O)C2=O)NC3CCN(CC3)C(=O)OCC 1 1.849 3 4 0 -1.95123404170055 3241278 C1COCCN1CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.111 2 5 0 -13.0072120619703 3241277 CC1(OC(=O)C(=CNCCC(C(=O)O)NC(=O)OC(C)(C)C)C(=O)O1)C 1 -0.181 2 8 0 -23.6938092847512 3241275 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C1C2CC3CC1CC(C2)(C3)C(=O)NN4C(=NN=N4)NC5=CC=CC=C5 1 2.319 6 1 0 -10.7432792069324 3241230 CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C)C 1 2.791 3 1 -5.01875592897972 3241229 CC1=CC(=C(C=C1)C)NC(=O)C2C3C=CC(C2C(=O)O)C3=C(C)C 1 3.369 1 3 -3.51497889730242 3241228 CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(S1)Br 1 1.904 1 4 0 -15.6743858372217 3241227 COC1=CC(=CC(=C1OC)OC)C2=NOC(C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.797 3 5 0 -7.6729593267185 3241225 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N(C)C2=C(C=C(C=C2)OC)OC 1 -0.133 3 6 0 -16.5133495813592 3241223 CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43 1 1.667 4 4 0 -7.26296901441845 3241221 C1=CC(=CC=C1N2C(=O)C3=C(C=CS3)NC2=O)F 1 2.506 2 2 -4.03335675126391 3241220 C1CC(OC1)CNC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43 1 0.97 3 4 0 -16.1800660472078 3241218 CC1(OC(=O)C(=CNC(CCC(=O)N)C(=O)O)C(=O)O1)C 1 -1.587 2 7 0 -14.6295448389427 3241217 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCCOC 1 0.74 2 4 0 -21.0684615614778 3241216 CCC(C(=O)OCC)N1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)Cl 1 3.035 4 3 0 -6.60837897229138 3241214 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCOC 1 0.262 4 6 0 -12.6920382852436 3241213 CCN(C1=CC=C(C=C1)OCC)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 2.92 2 5 0 -9.49959269467104 3241210 CCOC(=O)C1=CC=C(O1)CS(=O)C2=CC=C(C=C2)Cl 1 3.185 0 4 1.72702563710399 3241209 COC1=C(C=C(C=C1)Cl)N2C3=C(C(=O)N=C(N3)SCC(=O)NCC4CCCO4)SC2=S 1 4.276 4 4 0 -22.9154690639428 3241207 COC1=CC(=CC(=C1)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CO4)OC 1 2.67 3 4 0 -7.77109912042896 3241206 CCOC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5 1 4.086 6 2 0 -8.03788055064845 3241205 C1=CC(=CN=C1)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F 1 1.945 5 1 0 -1.3145376455421 3241204 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)O)NC1=O 1 2.185 2 4 -8.08013769834329 3241203 CC1CCCCN1CCNC2=NC(=S)NC3=CC=CC=C32 1 3.63 4 0 -6.22591175385442 3241202 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=CC(=C(C=C3OC)OC)Cl 1 3.598 3 4 0 -8.97454333539442 3241198 C1COCCN1C(=O)CC2=C(NC3=CC=CC=C32)C(=O)O 1 1.181 2 4 0 -11.2695147225899 3241194 CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)OC3CCCCC3 1 4.264 1 3 -14.3899457302725 3241193 COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NC4=CC5=C(C=C4)OCCO5 1 3.364 2 5 0 -4.68117223108724 3241192 COCCNC(=O)CN1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)NCCC3=CC=CC=C3 1 1.118 4 5 0 -20.7842617414255 3241190 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC(=CN=C2N)Br 1 2.68 3 2 -4.07694488050119 3241189 CCOC1=C2C(=C(C=C1)S(=O)(=O)NCC3=CC=C(C=C3)F)C=CC=N2 1 3.048 2 3 -6.33153184248752 3241188 CCCC(=O)NCCCC1=NC2=CC=CC=C2N1CCC 1 3.437 3 1 -16.2811242527295 3241187 CCOC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C=CC=N2 1 3.078 3 4 0 -12.0919024249048 3241186 CC1CCCCN1C(=O)C2=NOC(=C2)C3=CC(=CC=C3)OC 1 3.214 2 3 -2.95301244115518 3241185 COC1=CC=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.45 4 4 0 -9.80356865035869 3241184 CC(CC1=CC2=C(C=C1)OCO2)C=NO 1 2.27 1 3 2.12213599296658 3241181 C1CCC(C1)NC(=O)CCNS(=O)(=O)C2=CC=C(S2)Br 1 1.805 2 3 0 -14.2381429656306 3241180 CCOC(=O)C1C2(CC(S1)(OC3=C(C4=C(C=CO4)C(=C32)OC)OC)C(F)F)O 1 2.753 0 7 0 -6.17304971208979 3241177 CCN(CC)S(=O)(=O)N1CCC(CC1)C(=O)NC2CCCC2 1 0.741 3 3 0 -16.3369999846969 3241175 C1=COC(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)Br 1 4.45 2 4 -6.60728519603337 3241174 CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CC3=CC=CC=C3Br 1 2.109 5 2 0 -6.0298642371278 3241173 CC1(CC2CC(C1)(CN2C(=O)C3=NOC(=C3)C4=CC=C(C=C4)OC)C)C 1 3.961 2 3 -9.90338602134454 3241172 CC1CN(CC(O1)C)C2=CC(=O)N(C(=O)N2)C3=CC=CC=C3C 1 2.447 3 3 -7.64371350469288 3241171 CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N4CCN(C4=N2)CC5=CC=CO5 1 2.815 5 3 0 -5.7378132031078 3241170 C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CO3)N 1 1.368 5 2 0 -15.7492301570279 3241169 CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.604 2 6 0 -15.3541595319848 3241168 CC(C(=O)OC)N1C=NC2=C(C1=O)N=NN2CC3=CC=C(C=C3)Cl 1 2.131 5 3 0 -12.0764406998813 3241166 COC(=O)C1=C(N(C(=S)S1)C2=CC(=CC=C2)Cl)N 1 3.628 2 2 -0.879587635998582 3241165 CC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=NO2)C3=CC(=C(C=C3)OC)OC 1 2.089 2 5 0 -10.4935386769628 3241164 CCCCS(=O)(=O)NC1=NCN(CN1)CC 1 0.804 4 2 0 -9.30511711395291 3241163 CC1=C(C(=O)N(C(=O)C1=NC2=CC=C(C=C2)N(C)C)C)C#N 1 1.972 4 2 0 -1.40425487751094 3241161 C1=CC=C2C(=C1)C(=CC=N2)C3C(=C(SC(=C3C#N)N)N)C#N 1 1.649 5 0 0 -3.95895484169924 3241160 CCOC(=O)CCC(=O)NCC1=CC2=C(C=C1)NC(=C2)C 1 1.816 2 3 0 -17.6763556570788 3241159 CC(C)CC1(C2C(C(N1)C3=C(C=CC(=C3)OC)O)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O 1 5.e-002 2 6 0 -0.365477161352301 3241158 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC=NC4=C3N=NN4CC5=CC=CC=C5F 1 3.826 7 1 0 -14.2922104344841 3241156 CCOC(=O)N1CCN(CC1)C(=O)C(C(C)C)NC(=O)C2CCC(CC2)C 1 2.553 3 4 0 -21.0701111875156 3241155 C1CCC(CC1)N2C(CCC2=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.929 3 2 -6.67222159895053 3241153 CCC(C)N1C(C2=CC=CC=C2C1=O)C(=O)NC3CCCCCC3 1 3.757 2 2 -10.5394485323673 3241151 CCOC(=O)N1CCC(CC1)N(CCOC)C(=O)NC2=CC=C(C=C2)Cl 1 2.048 3 4 0 -4.17201022038478 3241150 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NC3=CC=CC=C3C(=O)OC 1 2.186 3 4 0 -13.6217077384776 3241149 CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C 1 1.579 3 4 0 -17.3739803624701 3241147 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC)CC3=CC(=O)NC(=O)N3 1 2.089 5 3 0 -17.6051224878013 3241146 CCOC(=O)CN1C2=C(C=N1)C(=O)OC3=CC=CC=C32 1 1.947 2 4 0 -10.2240467381779 3241145 CC1=CC=C(C=C1)C2=C(C(=O)N(S2(=O)=O)CC(=O)OC)C 1 1.377 1 5 0 -3.68699544866827 3241143 CC1CCCC(N1C(=O)C2=NOC(=C2)C3=CC(=C(C=C3)Cl)Cl)C 1 4.937 2 2 -3.97046793966122 3241142 COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)NCC3=CC=CC=C3 1 3.21 3 2 -11.2764953116493 3241141 COC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3F)OC 1 1.722 4 4 0 -10.9843183119773 3241140 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 1.64 4 4 0 -8.46029546002097 3241139 CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CC=CC=N3)C4=CC=C(C=C4)OC 1 2.427 3 5 0 -11.0282741920701 3241138 CC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)OC)C(=O)NCCN4CCOCC4 1 1.84 4 3 0 -4.30545644254602 3241137 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCCCN3C(=O)C4=CC=CC=C4NC3=O 1 3.663 4 3 0 -10.3069962544127 3241136 C1CCC(C1)N2CC(CC2=O)C(=O)NCCN3CCC4=CC=CC=C4C3 1 1.932 3 2 0 -19.440819254673 3241135 CC(C)C(C(=O)O)NC(=O)CC12CC3CC(C1)CC(C3)C2 1 2.772 1 3 -14.7821523840963 3241134 C1CN(CCC12OCCO2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4 1 2.809 1 4 -6.69806219608765 3241133 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CN=CN3 1 0.826 5 3 0 -3.28254896703848 3241132 CC1=NC2=C(N1)C(=C3C(=C2Br)N=C(N3)C(F)(F)F)Br 1 3.967 4 0 1.09248691867238 3241131 CCOC(=O)CSC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F 1 2.98 5 2 0 -12.4192060037899 3241130 CC1CCCC(C1C)NC(=O)C2CCN(CC2)S(=O)(=O)N3CCOCC3 1 0.758 3 4 0 -15.4052842219364 3241129 CCCCC1=C(C2=C(C(=C(C=C2)OC)C(=NO)C)OC1=O)C 1 3.952 1 4 -4.72551518531247 3241128 CCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(O2)Br 1 4.081 0 4 -5.58527983772029 3241127 CCOC1=C(C=C(C=C1)C(=O)C)N2C(=O)C3C4C=CC(C3C2=O)C4=C(C)C 1 2.663 1 4 -6.37605231400865 3241126 CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCC(CC4)CC5=CC=CC=C5)N(C(=O)NC3=O)C 1 3.36 7 2 0 -9.84115229809905 3241125 C1CN(CCC1C(=O)N2CCC3=CC=CC=C32)S(=O)(=O)N4CCOCC4 1 0.186 3 4 0 -18.8533980039068 3241123 CCC1CCCCN1CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C 1 1.466 4 4 0 -19.5886569542968 3241122 CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 3.314 4 3 0 4.30368731940921 3241121 CN1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CN3 1 -1.198 5 3 0 -7.92759751814818 3241120 CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 1.582 3 6 0 -10.9303700967808 3241118 C1CCCC(CC1)N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4 1 2.94 3 2 -13.8063880137464 3241117 CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=CSC(=N3)NC(=O)CCC(=O)N4CCN(CC4)C 1 1.843 4 5 0 -10.2713144540915 3241115 C1CCCN(CC1)CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3F 1 3.407 2 4 -9.61048540650477 3241114 CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C 1 2.896 4 3 0 -11.6180308157936 3241112 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=NC=C6 1 1.926 7 2 0 -5.72268170009568 3241111 CC(=O)C1C2C3=CC=CC=C3OC1(N=C4N2C(=O)C(=CC5=CN(N=C5)C)S4)C 1 2.171 4 3 0 -12.7627080075503 3241110 CC1=CC=C(C=C1)NC(=O)NC(=O)N(C2=CC=CC=C2)S(=O)(=O)C 1 2.569 3 4 0 2.79419517955387 3241109 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=CC=C(C=C3)N4C(=CN=N4)C5=CC=CO5 1 3.608 4 4 0 -10.9445197825382 3241107 CC1CCN(CC1)CCCNC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)OC 1 2.258 4 3 0 -13.4658072681705 3241106 C1COCCN1CN2C(=O)C3=C4C(=CC=C3)C5=CC=CC=C5C4=N2 1 2.201 3 2 -8.24834364157143 3241105 C1CC1C(=O)N2CCC3=CC(=CC(=C32)S(=O)(=O)N4CCOCC4)Br 1 1.541 2 4 0 -21.8572890301642 3241103 CCS(=O)(=O)NCCC1=CSC(=N1)C 1 0.276 2 2 0 -6.85312654982867 3241102 CCS(=O)(=O)NCCC1=CC2=C(C=CC(=C2NC1=O)OC)OC 1 0.767 2 5 0 -10.8435953374885 3241101 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3=C(C(=CC=C3)OC)OC 1 3.381 1 6 0 -2.54761459771523 3241099 C1=CC=C(C=C1)NC(=O)CC2=COC(=N2)C3=CC=C(C=C3)F 1 3.105 2 2 2.91558260258056 3241098 C1CCN(CC1)C2CCN(CC2)C3=NC4=CC=CC=C4C5=NC(=NN53)C6=CN=CC=C6 1 2.894 7 0 0 2.10261936949836 3241097 CN1C(=CC2=C1C3=CC=CC=C3O2)C(=O)NCC4CCCO4 1 2.782 2 3 -7.80366727044389 3241096 C1CCC2=C(C1)C(=NO2)C(=O)NCC3=CC=CS3 1 2.627 2 2 -17.5873412517811 3241095 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)OC 1 2.359 2 5 0 -6.06057970444085 3241094 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 1.322 3 6 0 -29.0324073488314 3241093 COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC(=O)N4C=CC=CC4=N3 1 1.381 4 3 0 -7.9501734854874 3241091 CN(C)C1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCCOC 1 -2.326 3 4 0 -15.0452864003364 3241090 C1CCN(C1)C2=NC3=NNC(=C3C(=N2)C4=CC=CC=C4)N 1 1.876 6 0 0 3.95192586404497 3241089 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NCC2=CN3C=CSC3=N2 1 2.25 3 1 -7.20107440856624 3241087 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NC4=CC=CC(=C4)C(F)(F)F 1 3.442 2 5 0 -6.57968111070323 3241086 CC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)OC)N=N2 1 1.461 5 3 0 -8.0817477197119 3241085 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NCC3=C(C=CC(=C3)OC)OC 1 2.93 2 5 0 -12.5102314972803 3241084 COC1=CC(=C(C=C1)OC)CNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.851 3 5 0 -22.1744596446942 3241083 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2=CN3C(=CSC3=N2)C)C 1 2.752 3 2 -0.872491182245587 3241082 CCOC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3OC 1 3.15 3 3 -3.21934662811087 3241081 C1COCCN1CCNC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)F)Cl 1 1.006 3 3 0 -13.413038448425 3241080 COC1=CC=CC(=C1O)CNC2=CC(=C(C=C2)F)Cl 1 3.833 1 2 4.62360911573015 3241079 CCC(C(=O)NC(C)CCC1=CC=CC=C1)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CO4 1 4.076 4 3 0 -10.9648169825781 3241078 C1CC(OC1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4 1 0.826 6 4 0 -32.076608879257 3241076 CCOC(=O)N1CCC(CC1)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3F 1 1.472 4 4 0 -14.5603798492295 3241075 CC1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CN3 1 1.3e-002 4 3 0 -13.4436293053511 3241074 COC1=CC(=CC=C1)OCC(=O)NC2CCCCC2 1 2.715 1 3 -8.37961809931206 3241073 CN1C=CC=C1C2(C(=O)NCCN2)C(F)(F)F 1 0.942 3 1 0 -9.29185349590247 3241072 CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)OC 1 1.557 3 3 0 -4.63698680208435 3241071 C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 1.99 3 5 0 -20.9142815645747 3241070 C1CN(CCC1C(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.078 4 3 0 -19.8144829019199 3241068 CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C(=O)OCC 1 1.498 6 4 0 -10.7420427700997 3241067 CN(C)C(=O)OC1=C(C=C(C=C1)C=NN2C=NN=C2)OC 1 0.998 5 3 0 -6.97040388379481 3241066 COCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)NC1=S 1 1.923 3 3 0 -5.40513931491081 3241065 CN(CC(=O)NC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CS2 1 1.353 2 4 0 -10.8035227074546 3241064 CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 1.374 4 4 0 -8.10669071995999 3241063 CC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=C(C=C4)F 1 3.103 2 2 -25.5493346971199 3241062 CC1=CC=C(C=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)N3CCC4(CC3)OCCO4 1 2.384 1 6 0 -10.5355526048979 3241061 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2.236 2 2 -8.75759861106737 3240942 CN(C)C(=O)N1CCCC(C1)C(=O)NCC2=C(C=CC(=C2)OC)OC 1 1.147 3 4 0 -14.0413503963242 3240940 C1CCC(=CC1)CCNC(=O)C2=CC3=C(S2)CS(=O)(=O)C3 1 2.683 1 3 -13.5984969835679 3240938 C1COCCN1CCCNC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 0.526 3 3 0 -18.8184481352825 3240937 CC1=NC2=CC=CC=C2N1S(=O)(=O)N(C)C 1 0.978 3 2 0 -0.92250081148618 3240936 CC1=C(C(=NN1)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)C 1 0.929 3 3 0 -5.22411103969029 3240935 CC(C)(C)OC(=O)N1CCC(CC1)C2=NC3=CC(=NN3C=C2C(=O)O)C4=CC=C(C=C4)OC 1 3.406 4 5 0 -5.77833177974162 3240934 CCC1=CC=CC=C1NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 2.741 2 4 -12.6794926932561 3240932 CCC(C)NC(=O)C1(CCC(=O)N1CCC2=CC(=C(C=C2)OC)OC)C 1 2.463 2 4 -14.0985306977468 3240875 C1CCCC(CC1)NC(=O)CNC=O 1 0.669 2 2 0 -8.95725526569802 3240876 CC1=CC(=C(C=C1)C)NC(=O)CC(C(=O)O)NCCCN2CCOCC2 1 -1.558 3 4 0 -12.9061977790697 3240878 C1CCC(C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4 1 1.041 4 3 0 -15.863384120007 3240879 CCCS(=O)(=O)N1CCCC(C1)C(=O)NC(C)C2=CC3=C(C=C2)OCCO3 1 1.804 2 5 0 -24.2575373705021 3240880 CCN(CCNC(=O)NC1=CC=C(C=C1)Cl)C2=CC=CC=C2 1 3.77 3 1 -5.96188630402414 3240881 CC1=C(OC=N1)C(=O)NC2=CC(=CC=C2)OC 1 1.069 2 3 0 -12.5003423172474 3240882 CCC1C2=CC=C(N2CCN1C(=O)NC3=C(C=CC(=C3)Cl)OC)C 1 3.733 3 2 -10.6769763581872 3240883 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N3CCC4(CC3)OCCO4 1 0.825 2 5 0 -8.81520728359213 3240884 CC1=C(SC2=NC(=CN12)C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 4.071 4 1 4.00843294428346 3240890 COC1=CC(=C(C=C1)N2C(=O)C3=C(N(C2=O)CC(=O)NCC4=CC=CO4)SC5=C3CCC5)OC 1 3.058 3 6 0 -22.847145885297 3240891 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 2.983 3 3 3.17150897770077 3240892 CCCN1CCN(CC1)CCCNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4 1 1.975 7 1 0 -6.84432346696622 3240893 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CN3CCCC(C3)C(=O)N4CCC5=CC=CC=C54 1 4.423 3 2 11.0567864233873 3240894 C1CCN(C(C1)C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.697 3 3 0 -17.6635429996207 3240895 C1CN(CCN1CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4F 1 3.179 2 3 -0.87179122275334 3240897 CC1=C(C=C(C=C1)NC(=O)CN2C=CC=C2)C 1 2.738 2 1 -4.53886405915922 3240898 CCN(CC)C(=O)CCC(=O)NC1=CC=C(C=C1)C(=O)OC 1 1.132 2 4 0 -18.6273578231712 3240931 CC1=NC(=CC=C1)NC2(C(=C(NC2=O)C)C#N)C(F)(F)F 1 1.581 4 1 0 -8.36823365088367 3240930 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=CC=CC=C3F)C(=O)N(C1=O)C 1 0.977 4 5 0 -22.3747221515115 3240929 CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCCCCC3)Br 1 2.469 2 3 -16.4133648093268 3240928 CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)NC2=CC=CC=C2)C 1 3.39 2 3 -7.8666126555195 3240926 CC1=C2C(=C(C=C1)OC)N=C(S2)N3CCCC3 1 2.928 2 1 1.34946543912906 3240923 C1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3 1 2.481 3 3 -18.5752709428967 3240922 CC1=CC=CC=C1NC(=O)NCCCN2CCN(CC2)C3CCCCC3 1 3.449 4 1 -7.57283228613739 3240921 C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 1 3.374 4 4 0 -6.31081864164616 3240920 C1=CN2C=NNC(=O)C2=C1 1 0.39 3 1 0 -6.34659621220629 3240918 CN1C2=CC=CC=C2C(=CC1=O)N(C)C3=CC=C(C=C3)Cl 1 3.565 2 1 4.49031655289203 3240916 CC1=CC=CC=C1CS(=O)(=O)CC2=CC=C(O2)C(=O)N3CCC4(CC3)OCCO4 1 2.384 1 6 0 -10.4589308867623 3240914 CC(C1=CC=CC=C1)NC(=O)C2=NOC(=C2)C3=CC=CS3 1 3.644 2 2 -10.9937371872086 3240912 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)O 1 2.826 1 5 -13.635445800182 3240911 CC1(NC(=O)C(=N1)C2=CC=C(C=C2)Cl)C 1 1.766 2 1 0 2.7263764740823 3240910 CC1=C(OC2=C1C3=C(CC2)C=NN3)C(=O)NC(C)C 1 2.37 3 2 -9.20501894364195 3240909 CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCC2=CC=CC=C2OC)C 1 3.032 2 4 -11.605212673126 3240908 CC(C(=O)NC1=CN=CC=C1)N2C(=O)C3C4CC(C3C2=O)C=C4 1 8.e-002 3 3 0 -10.1198888094364 3240907 COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F)OC 1 3.978 4 4 0 -4.60792616891722 3240906 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC=C(C=C2)C 1 2.127 2 3 -23.6085593018118 3240905 COC1=CC(=C(C=C1)OC)CNC(=O)CCN2C(=O)COC3=CC=CC=C32 1 1.684 2 5 0 -15.1028230073817 3240904 CCC(C)(C(=O)NC1CCCC1)N(CC2=CC=CS2)C(=O)C 1 2.684 2 2 -16.4714106350926 3240902 CCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC 1 3.122 4 2 -6.75268672050341 3240899 CCOC1=C(C=C(C=C1OC)C2C(=C(OC3=NNC(=C23)C4=CC=NC=C4)N)C#N)OC 1 2.803 5 4 0 -12.1823788040693 3240874 CCOC1=CC=CC=C1C=C2C(=O)N3C(=NC=N3)S2 1 2.578 3 2 -8.74509547466818 3240873 C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C=CC=C3C(=O)C4=CC=CC=C4 1 3.236 2 4 -15.5791101664407 3240872 C1CCCN(CC1)CCCNC(=O)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl 1 3.2 4 2 -8.1290027009375 3240871 CCC1=CC=CC=C1NC2=C(C=C(C=C2)C(=O)O)N 1 3.205 2 2 -1.05934354790477 3240870 C1CN(CC2=CC=CC=C21)C(=O)C3=NOC(=C3)C4=CC=CS4 1 3.547 2 2 -10.2008409051373 3240868 C1CN(CCN1C2=CC=CC=C2F)C(=O)CCN3C(=O)C4C5CC(C4C3=O)C=C5 1 1.459 3 3 0 -5.74901253169634 3240867 CC1=NC2=CC=CC=C2N1C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 4.844 4 1 5.51087382786808 3240866 CC1=CC=CC=C1C(=O)C2=CC=CN2CC(=O)NCC3CCCO3 1 2.73 2 3 -20.0390139810455 3240864 C1=COC(=C1)C2=CC(=NC(=N2)NCC3=CC=C(C=C3)F)C(F)(F)F 1 4.41 3 1 6.51874988916583 3240863 CCC(C)NC(=O)C1C2=CC=CC=C2C(=O)N1CC3=C(C=CC(=C3)OC)OC 1 2.993 2 4 -14.4375724242872 3240862 CN1CCN(CC1)C(=O)C2=NOC(=C2)C3=CC(=CC=C3)Cl 1 2.558 3 2 3.63723730761938 3240861 CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)CSC3=C2C(=CC(=N3)C)C 1 1.585 4 4 0 -16.1116111905125 3240858 C1=CSC(=C1)CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 2.735 1 3 -19.6654885454892 3240854 CC1=CC(=C(C=C1)NC(=O)CCCC(=O)O)Br 1 2.486 1 3 -13.4937513248123 3240853 CCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCC3)OC 1 1.002 3 5 0 -20.7756885183807 3240852 COC(=O)CCCC[C@@H]1[C@]2([C@@H](CS1)NC(=O)N2)O 1 0.505 2 4 0 -16.0977587102205 3240851 C1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F 1 2.733 3 3 -19.2345540914828 3240850 CCOC(=O)CN1C(=O)C=CC(=N1)C2=CC=CC=C2 1 1.709 2 3 0 -4.55983849985246 3240848 CC1(CCC(=O)N1CC2=CC=CO2)C(=O)NC3CCCCCCC3 1 2.877 2 3 -9.45857923122751 3240847 C1CC1C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCOCC4 1 0.793 2 4 0 -27.8840492084645 3240846 CC1(OC(=O)C(=CNC2=CC(=CC=C2)O)C(=O)O1)C 1 0.986 1 5 0 -3.30920755474013 3240845 CC1=CC=C(O1)CCC(C2=CC=C(C=C2)OC)NC(=O)NC3=C(C=C(C=C3)OC)OC 1 3.989 2 5 0 -11.1062718680783 3240843 COC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=C(C=C4)OC(=O)N5CCOCC5 1 3.295 5 5 0 -14.6612489178533 3240842 COC1=CC(=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4CCCO4)OC 1 2.102 2 5 0 -14.9113312490106 3240841 C1COCCN1C2=NC3=C(C=CC(=C3S2)Cl)Cl 1 3.014 2 1 0.190982333347907 3240840 CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=O)N5C=CC=CC5=N4 1 2.612 6 2 0 -25.2725470593928 3240839 CCCCNC(=O)CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCOCC3 1 2.144 4 3 0 -16.5112197029514 3240838 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)N3CCC4(CC3)OCCO4 1 2.239 1 5 -10.0163737488449 3240837 CC1=CC=C(C=C1)OCCN2C(=O)CSC2=O 1 2.369 1 3 -8.41059011205569 3240836 COC1=CC=C(C=C1)S(=O)(=O)NC2(C(=O)N3CCSC3=N2)C(F)(F)F 1 2.272 3 4 0 -7.22516096453067 3240834 C1CC2=C(C3=CC=CC=C31)ON=C2C(=O)N4CCC5=CC=CC=C5C4 1 4.195 2 2 -9.92458189714145 3240832 CC1=CSC(=N1)NC(=O)CCN2C3=CC=CC=C3OC2=O 1 1.71 3 3 0 -7.46532065417691 3240831 CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CC=N3)N 1 1.737 6 1 0 -12.0505603183281 3240830 CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCOC 1 2.171 3 4 0 -13.2115805285675 3240828 COCCCNC(=O)C1CCCCN1S(=O)(=O)C2=CC=C(C=C2)F 1 1.196 2 4 0 -19.8391840548271 3240827 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NCCN3CCN(CC3)CC4=CC=CC=C4 1 3.059 4 3 0 -8.7711270393228 3240824 CC1=C(C=C(C=C1)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3)N)C 1 2.212 6 2 0 -17.6734367182914 3240823 CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3C4=CC=CC=C4)C=C2 1 2.634 6 2 0 -19.1848724160173 3240822 COC(=O)N1CC(=O)N(C1C2=C(C=C(C=C2)Cl)Cl)OC 1 2.265 2 4 -4.03604998672114 3240819 CCOC(=O)C1C(CC(=CC1=O)N2CCOCC2)C3=CC(=CC=C3)OC 1 2.063 1 5 -7.07856818689797 3240818 CCOC(=O)C1=CN=C2C=C3CCCCC3=CN2C1=O 1 1.359 2 3 0 -10.9696114102385 3240812 C1CCC(C1)NC(=O)NC2=CC=CS2 1 2.134 2 1 -8.69647823014234 3240811 CC1(CCC(=O)N1CC2=CC(=CC=C2)OC)C(=O)NC3CCCCCC3 1 3.223 2 3 -8.43664337132891 3240810 CCOC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)C(=O)O 1 1.854 2 4 0 -8.32102952242897 3240809 CC(C)OCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)NC1=S 1 2.649 3 3 -6.66334716309962 3240806 CC(C)CN1C2=CC=CC=C2N=C1CNC(=O)C3=CC=CC=C3 1 3.728 3 1 -10.0072680877487 3240805 C1CC(=O)N(C1)CCCNC(=O)CCCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=O 1 0.78 4 4 0 -28.0052672027851 3240804 C1CCN(C1)C(=O)CSCC2=CC=CS2 1 1.845 1 1 0 -10.6375324368996 3240803 CC1=C(C(=NN1)C)S(=O)(=O)N2CCCCCC2 1 1.192 3 2 0 -11.7668329873938 3240802 CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 3.416 2 4 2.59644643031069 3240801 CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SC(C)C(=O)OC 1 2.261 4 3 0 -8.11439897454799 3240800 C1=CC(=CC=C1C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=NC=C4)F 1 2.709 5 1 -6.09751762675017 3240798 CCOC(=O)N1CCC(CC1)NC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=O 1 2.084 4 5 0 -15.5356317085536 3240797 CC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)N(C)C 1 1.852 3 2 0 -13.7666696606264 3240796 C1CC(C1)C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)NCC4=CN=CC=C4 1 1.788 3 3 0 -14.4849174983723 3240795 CC1=CC=C(C=C1)CN2C(CCC2=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.14 3 2 -5.94367905395695 3240794 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)O 1 1.041 1 3 0 -13.3143065864505 3240793 CNC1=NN(N=C1N)C2=CC(=CC=C2)Cl 1 1.739 5 0 0 1.77913620644005 3240788 CC1=CC(=NO1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C 1 0.437 6 3 0 -20.1280413527982 3240787 CC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC 1 3.905 2 5 0 -9.88278855407126 3240786 COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2CCCCC2 1 2.505 1 4 -15.729299870761 3240785 CCN(CC)S(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)F 1 1.128 3 3 0 -17.7698145489721 3240783 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4=CC=CC=N4 1 1.766 4 4 0 -23.3788067791418 3240782 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C)C 1 2.957 3 4 0 -7.87528999562935 3240781 C1COC2(C3=CC=CC=C3N(C2=O)CC(=O)NCCC4=CC=CC=C4)OC1 1 1.752 2 4 0 -16.4575779318401 3240780 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=C2C)C(=O)NC(C)C 1 2.66 2 4 -12.7124010937252 3240779 CCOC(=O)C1=C(N(C(=S)S1)C2=CC(=C(C=C2)F)F)N 1 3.723 2 2 -3.95353263847413 3240778 CC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(NN=C3C)C)C 1 2.048 4 3 0 -10.7085865044946 3240777 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC(C)(C)C)C 1 2.19 2 3 -15.2099566474964 3240776 CC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC(=C2)OC)OC)C(=O)OC 1 1.582 2 5 0 -13.3013867947637 3240775 COC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=CC=C2)OC 1 2.347 1 5 -15.0451071163113 3240774 CCN(CC)C(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)OCO3 1 3.141 2 3 -10.5862933504852 3240773 CN1C2=C(C=C1C(=O)N3CCCC(C3)C(=O)O)SC=C2 1 2.225 2 3 -4.7988425982459 3240772 CCN(CC)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=NC(=CC(=N3)C)C 1 2.133 6 1 0 -8.76722980417073 3240771 CC(C)CC(C(=O)OC)NC(=O)C(CCC(=O)OC)NC(=O)OCC1=CC=CC=C1 1 2.495 2 7 0 -24.8033198550405 3240769 C1CCC(C1)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)F 1 1.942 6 2 0 -16.5848947727546 3240768 C=CCSC1=C(C=CC=N1)C(=O)NCC2=CC=CC=C2 1 3.168 2 1 -15.539384797386 3240767 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 0.987 6 3 0 -19.3807684778644 3240766 CC1=C(C(=C(O1)C)C(=O)NCCCC(=O)O)C(=O)NCCCC(=O)O 1 -0.258 2 7 0 -14.7163784750792 3240765 CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=CN4C=C(C=CC4=N3)C 1 3.366 2 3 -3.99032209627679 3240764 CCOC(=O)CNC(=O)C(=O)C1=C(NC2=CC=CC=C21)O 1 1.155 2 5 0 -7.82252000897695 3240763 CCC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCCCN3CCC(CC3)C 1 2.263 3 3 -14.2349321237856 3240762 CCOC(=O)C1CCN(CC1)C(=O)CCC2=NC3=CC=CC=C3N2 1 1.912 3 3 0 -11.4031488290432 3240761 C1CCC(=CC1)CCNC(=O)CSC2=C(C=CC=N2)C(=O)O 1 2.777 2 3 -19.8622296164303 3240760 CC1=NNC(=O)C2=CC3=C(N12)C=CO3 1 1.064 3 2 0 -6.52711750231723 3240759 CC1=C(C(=NC2=NC(=NN12)C)C)CCC(=O)N3CCC4=CC=CC=C43 1 2.317 5 1 -18.3382527845732 3240758 CCC1=NN=C(S1)NC(=O)CSC2=NC=CN2C3=CC=CC=C3 1 2.621 5 1 -15.5283469193887 3240757 C1CN(CCC12OCCO2)C(=O)CN3C(=O)C4=C(C=N3)C5=CC=CC=C5N4CC6=CC=CC=C6 1 2.764 4 4 0 -12.8165546108252 3240756 CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCN(CC4)C 1 2.14 3 5 0 -13.6570715839076 3240755 C1CN(CCN1C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)C(=O)C4=CC=CO4 1 2.434 3 5 0 -7.46882737513773 3240754 CCOC1=C(C=C(C=C1)CNC(=O)C2CC(=O)N(C2)C3CCCC3)OC 1 2.034 2 4 -21.6824527440045 3240753 CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC3=C(C=C2)N=CC=C3 1 1.374 3 3 0 1.29648828455945 3240752 C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=CC4=CC=CC=C4C3=O 1 1.337 2 4 0 -11.5120051272662 3240751 COCCNS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NCCOC 1 0.908 2 6 0 -5.69127930513803 3240750 CC1=CC=CN2C1=NC(=C2)CNC(=O)CC3CCCC3 1 2.314 3 1 -16.5190286094741 3240749 CCC1=CC=C(C=C1)C(=O)CC2(C3=CC=CC=C3N(C2=O)CN4CCOCC4)O 1 2.591 2 4 -9.47924607465209 3240748 CC1=CC=C(O1)C2N3CCCC3C(=O)N2C4=CC(=C(C=C4)OC)Cl 1 3.554 2 3 -6.45578110371397 3240747 CC1=CC(=NO1)N2C(N3CCCC3C2=O)C4=CC=CC=C4 1 2.499 3 2 -6.64861971088879 3240746 C1COCCN1C2(C3=CC(=CC(=C3NC2=O)Br)Br)O 1 1.746 2 3 0 -1.14042874972064 3240745 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NC4CCCC5=CC=CC=C45 1 3.495 5 2 0 -8.86746374692073 3240744 CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)NCCC3=CCCCC3)Cl 1 1.179 4 2 0 -14.0061250659208 3240743 C1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)O 1 2.241 1 2 -3.43002354157341 3240742 CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCOCC3)CCCO 1 -0.829 5 4 0 -7.56523539310132 3240740 CC1=C(N=CO1)C(=O)NC2=CC=C(C=C2)Cl 1 1.75 2 2 0 -4.62653581340591 3240739 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.034 3 4 0 -15.7010171270321 3240738 CC1CCN(CC1)CCCNS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C 1 2.26 3 3 -14.3723252702155 3240736 CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=C4Cl 1 4.055 4 4 0 -13.3243032857241 3240735 C1CCN(C1)C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)O 1 -1.209 2 3 0 -9.58454081332406 3240734 CCCC(=O)NC(C)C(C1=CC=CS1)N2CCN(CC2)C 1 2.429 3 1 -11.5032401775417 3240733 CC1=CC(=CC=C1)CN2C=NC3=C(C2=O)N=NN3C4=CC=C(C=C4)OC 1 3.321 5 2 0 -1.42987350988075 3240729 CCCC(=O)NCCCC1=NC2=CC=CC=C2N1CC(=C)C 1 3.627 3 1 -20.9158516310667 3240728 C1=CC=C2C(=C1)C(=O)N=C3N2NN=C3C4=CC=CC=C4F 1 2.354 4 1 -1.8549112697626 3240727 COC(=O)C1=CC2=C(N1CC3=C(C=CC=C3Cl)F)C=CO2 1 4.324 1 3 -5.62484571553894 3240726 CCOC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4 1 2.541 3 3 -13.9353085723895 3240725 C1CCC2=C(C1)N=C(S2)NC(=O)CSC3=NCCS3 1 2.883 3 1 -16.9296867707853 3240722 C1CCCC(CCC1)N2CC(CC2=O)C(=O)NC3CCCC3 1 2.905 2 2 -13.574081381384 3240721 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCC2=CC3=C(C=CC(=C3NC2=O)OC)OC 1 1.409 3 6 0 -18.1376690943263 3240719 CC1=C(C(=NO1)C)S(=O)(=O)N(CC(=O)OC)C2=CC=C(C=C2)OC 1 1.096 2 6 0 -13.3248294039459 3240718 CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)C3=CC=CO3 1 2.714 3 2 -5.76111664315623 3240717 C1CS(=O)(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC3=CC(=CC=C3)Cl 1 1.917 2 4 0 -5.73834025099058 3240715 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C)NC 1 2.049 2 3 -12.9759916540706 3240714 CC1CN(CC(O1)C)C(C2=CC=CC=C2)C3=C(N4C(=NC(=N4)C)S3)O 1 2.922 4 2 -6.88089366149483 3240713 CC1CCCCC1NC(=O)C2=CC3=C(S2)CS(=O)(=O)C3 1 2.533 1 3 -13.4866579469576 3240709 CC(C)CNC(=O)C1=NOC(=C1)C2=CC=C(C=C2)OC 1 2.905 2 3 -6.59138230618172 3240707 CCCC1CCC(CC1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C 1 3.495 3 2 -12.7157549518871 3240705 COC1=C(C=CC(=C1)C=NN2C=NC=N2)OCC=C 1 2.025 4 2 -15.7764655523373 3240704 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCCN4C=CN=C4)C(=O)NCC5=CC=CC=C5)C=C1 1 1.088 7 2 0 -20.5532686456422 3240703 C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4C5=CC=CC=C5SC4=O 1 3.064 5 3 0 -16.0603285004524 3240702 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)N3CCC4=CC=CC=C4C3 1 3.578 2 3 -4.60432006715167 3240701 CN(C(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)OC)C(=O)C3=NC=CN=C3 1 1.71 4 3 0 -13.0252473488688 3240699 CC(C1=CC=CC=C1)NC(=O)C2=NOC3=C2CCCC3 1 3.264 2 2 -14.767350029245 3240697 C1CS(=O)(=O)CC1NC(C(=O)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl 1 2.487 2 4 -15.4058487175392 3240696 CN1CCN(CC1)C(=O)C2=CC3=C(S2)N=C4C=CC(=CC4=C3)OC 1 2.723 3 2 0.576206675837676 3240695 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4CCCCC4 1 2.537 4 3 0 -3.78524681921158 3240694 CC1=CC2=C(O1)C=C(N2CC(=O)N(CC=C)C3=CC=CC=C3)C(=O)OC 1 3.475 2 4 -12.4868333304139 3240693 CN(C1=CC=CC=C1)C2=NC3=C(C=CC=C3S2)OC 1 3.557 2 1 1.36921110609556 3240692 C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)Cl)C(=O)N2CC1 1 3.652 3 2 -9.47397032338656 3240691 CC1=C(C=C(C=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C)F 1 0.497 2 4 0 -15.6692388591807 3240690 C1CC2=CC=CC=C2N(C1)CCNC(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5 1 1.512 3 3 0 -20.0223597482417 3240689 CCC1C(=O)N(C2=CC=CC=C2S1)CC(=O)NC3CCCC3 1 2.853 2 2 -8.37884925769329 3240688 COC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)NCC4=CC=CO4 1 2.667 5 3 0 -15.9683573140715 3240686 CCC(C(=O)NC1=CC=CC=C1OC)N2C(=CC3=C2SC=C3)C(=O)OC 1 3.644 2 4 -11.7863580707096 3240685 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)OC)OC1=O 1 2.223 2 5 0 -7.3706906680711 3240684 CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3C 1 3.246 5 2 0 -15.3349260622037 3240683 CCC1=CC=C(C=C1)NC2=CC(=O)N(C(=O)N2)C3CCCCC3 1 4.061 3 2 -4.53845972310978 3240680 C1=CC(=CN=C1)NC(=O)C2(C(C(C(C(C2(F)F)(F)F)(F)F)(F)F)(F)F)F 1 2.442 2 1 -3.2236982264824 3240679 CCN(CCCNC(=O)COC1=CC(=O)N(C2=CC=CC=C21)C)C3=CC=CC=C3 1 2.428 3 3 -11.7135565992985 3240678 C1=CC(=CN=C1)CNC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 3.054 4 1 3.46536290282933 3240677 C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)F)C(=O)O 1 2.456 1 3 -8.60898678142721 3240676 CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=CC(=CC=C3)OC 1 3.208 4 2 -10.8858265342933 3240675 COC1=CC=CC=C1C2=CC(=NN2)N 1 1.859 3 1 0 1.34750220138571 3240673 CC(C)CCN1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)Cl 1 3.552 4 1 -2.13221975719588 3240670 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4 1 1.313 4 5 0 -15.2323939228115 3240669 CC(=O)NC1=NC2=C(S1)C=C(C=C2)Br 1 2.324 2 1 0.448232812300566 3240668 CCOC(=O)CCN1C(=CC(=N1)C2=CC=C(C=C2)Cl)N 1 2.773 3 2 -4.95356981692522 3240667 CC(C)N1CN(C(=S)SC1)CC2=CC=C(C=C2)OC 1 4.42 2 1 -4.80692021120397 3240666 C1CN(CC2=CC=CC=C21)CCCNC(=O)CN3C(=O)COC4=CC=CC=C43 1 1.745 3 3 0 -14.8503411257252 3240665 C1CCC2=C(C1)N=C(S2)NC3=NC4=C(S3)C=C(C=C4)F 1 3.961 3 0 0.813182360889694 3240664 CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3CCCCC3)N 1 3.928 3 4 0 -8.35785781328431 3240663 C1CC2=C(C3=CC=CC=C31)ON=C2C(=O)NCCC4=CC=CC=C4 1 4.236 2 2 -8.56902281505867 3240662 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC)NC1=S 1 3.038 4 4 0 -8.79148214344961 3240661 CC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)NCC3=CC=CO3 1 1.834 2 3 0 -14.6297108318916 3240660 CCN1C=C(C(=N1)C)C2=NOC(C2)C(=O)NC3=CC=CC=C3C(=O)OC 1 1.518 4 4 0 -13.6902727427983 3240659 COC1=CC=C(C=C1)CN2C(C(=O)N(CC2=O)C3CCCCCC3)C4=CC(=C(C=C4)OC)OC 1 4.099 2 5 0 -12.2065462905658 3240658 CCS(=O)(=O)NCC1=CC2=C(C=C1)NC3=C2CCCC3 1 2.773 2 2 1.00975360137005 3240655 CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CCCC(C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC 1 4.259 3 4 0 5.68811039490345 3240654 CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2 1 5.01 6 3 0 -22.3701555585832 3240653 CC(=O)NC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.566 4 3 0 -7.0644212670683 3240651 C1COCCN1C(CNC(=O)NC2=CC=CC=C2)C3=CN=CC=C3 1 1.234 4 2 0 -16.1062337708172 3240650 COC1=CC=CC(=C1OC)C2=NOC(C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 2.519 3 4 0 -6.04957524270064 3240649 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.458 1 6 0 -14.2573364349346 3240648 COC1=CC=C(C=C1)C(=O)CC(C(=O)OC)(C(F)(F)F)O 1 1.942 0 5 0 -5.05753551758871 3240647 CS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC=CC=C2Cl 1 1.433 2 3 0 -18.5425276468813 3240645 CCOC(=O)N1CCC(CC1)NC(=O)C(C(C)C)NC(=O)C2CCCCC2 1 2.249 3 4 0 -18.439002324907 3240644 C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.635 4 2 -0.93601458776676 3240642 CCOC(=O)C1CCN(CC1)C(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C 1 1.646 2 4 0 -11.9898784958786 3240641 CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)O 1 1.331 3 3 0 -5.06743667748144 3240637 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)O)OC 1 1.448 1 6 0 -16.2147780021836 3240635 CN(CP(=O)(CN(C)S(=O)(=O)C)O)S(=O)(=O)C 1 -2.048 2 6 0 -5.85683421336076 3240634 COC(=O)NCCOC(=O)N(C1=CC=C(C=C1)Br)O 1 2.19 2 5 0 -9.23190836115817 3240633 C1CC2CN(CCN2C1)C(=O)C3=NN4C(=C3)N=C5C(=C4C(F)(F)F)CCC6=CC=CC=C65 1 4.311 5 1 -3.348888600203 3240632 CC1=CC=C(C=C1)CCNC(=O)C2=COC3=NC4=CC=CC=C4N=C23 1 3.824 3 2 -6.74427851279672 3240631 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)NCC4CCCO4)OC 1 1.888 3 6 0 -18.0348228322171 3240630 CC1=CC=CC=C1N2C(=O)C=C(NC2=O)NCC3=CC4=C(C=C3)OCO4 1 2.82 3 4 0 -5.49517465904751 3240629 COC1=C2C(=CC=C1)SC(=N2)NC3=NC(=CS3)C4=CC=CC=N4 1 3.574 4 1 7.0096777756454 3240627 C1OC2=C(O1)C=C(C=C2)C3NC4=CC=CC=C4C(=O)N3O 1 2.229 2 4 -5.82947573874913 3240626 COC1=CC(=C(C=C1)OC)C2CC3=C(C(CC(=O)N3)C4=CC(=C(C=C4)O)OC)C(=O)C2 1 2.543 1 6 0 -18.1046600431182 3240624 COC1=C(C=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CC=C3)N)Cl 1 1.894 6 3 0 -22.7185009332118 3240623 CC(C)C1=CC=C(C=C1)C2=NC(=NC3=NNC(=C23)N)N4CCCC4 1 3.07 6 0 4.70990197701181 3240622 CC1=CC=CC(=C1)C2=NSC(=N2)SCC(=O)NC3=NOC(=C3)C 1 3.123 4 2 -13.1631344534312 3240621 C1CCN(CC1)C(=O)C2=NOC(=C2)C3=CC(=C(C=C3)Cl)Cl 1 4.182 2 2 -1.36648807221151 3240619 CC1CCC(CC1)NC(=O)CN2C(=O)C3=C(C=CS3)NC2=O 1 1.893 3 3 0 -14.911051440242 3240617 COC1=CC(=CC(=C1OC)OC)C2=NOC(C2)C(=O)NC3CCCCC3 1 2.614 2 5 0 -10.7118020493675 3240615 CC1=C(NC(=C1C(=O)C)C)C(=O)NCCCN2CCCC2 1 1.456 3 2 0 -8.8512587111685 3240614 CC1=CC(=C(C=C1)NC(=O)C2=NC(=CC=C2)C(=O)OC)Br 1 3.411 2 3 -12.4930112456298 3240611 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 1.531 3 5 0 -26.1026923241643 3240610 C1=CC(=CC(=C1)NC(=O)C2=NOC(=C2)C3=CC=CS3)C(F)(F)F 1 4.202 2 2 -2.11924030611043 3240608 COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)N3CCC4=CC=CC=C43 1 3.483 3 2 -10.7863797070389 3240607 CC(=O)N1CC(=O)N(C1C2=C(C=C(C=C2)Cl)Cl)OCOC 1 1.473 2 4 0 -6.66848221665306 3240606 CCOC(=O)C1=C2NC(=O)C3=C(N2C(=S)S1)C=C(C=C3)C(=O)OC 1 3.023 2 5 0 -13.598206436669 3240603 CC1=NN(C2=CC=CC=C12)C(C)C(=O)O 1 1.928 2 2 0 -4.51832979408765 3240602 CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)NCCCOC 1 -1.016 3 5 0 -8.79667993711453 3240601 CCCCN=C1N(C(=O)C=C(S1)C(=O)OC)CCCC 1 3.403 2 3 -8.78239135184436 3240600 CCOC1=CC=C(C=C1)N2C(SCC2=O)C3=CC=NC=C3 1 2.421 2 2 -11.3346736339301 3240599 CCN1C(=O)/C(=C/2\N(C3=C(S2)C=CC(=C3)OC)C)/SC1=NC4=CC=C(C=C4)C(=O)C 1 4.722 3 3 -2.60837557857238 3240598 C1=CC=C2C(=C1)C3=C(C=NN3CC(=O)NC4=NC5=CC=CC=C5S4)C(=O)O2 1 3.153 4 3 0 -8.60619129734228 3240597 CC1=CSC2=NC(=CN12)CNC(=O)C3=CC(=CC=C3)C(F)(F)F 1 2.533 3 1 -3.26852276386514 3240596 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)CC(=O)NCCCOC(C)C 1 1.151 2 5 0 3.43327584991195 3240595 CCOC(=O)N1CCC(CC1)N(CCCOC)C(=O)NC2=CC(=CC=C2)OC 1 1.429 3 5 0 -7.2339195405195 3240592 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)N4CCC5(CC4)OCCO5 1 0.978 4 4 0 -17.5254902799169 3240590 C1CC2=CC=CC=C2C(=O)C1C(C3=CC=CC=N3)O 1 2.506 1 2 0.310782695555167 3240589 COC1=CC(=C(C=C1)OC)C2C3=C(CCCC3=O)NC4=NC5=CC=CC=C5N24 1 3.329 3 3 -18.173745603652 3240588 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NOC4=C3CCCC4 1 4.139 4 2 -16.0108822325028 3240587 CC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)N4CCCC4)N=N2 1 1.481 6 2 0 -11.4866756847563 3240586 CCCCNC(=O)C1=CN=C2N(C1=O)CCS2 1 0.975 3 2 0 -17.407267105285 3240585 CCCCC(=O)NCC1=CC2=C(C=C1)N(C(=C2)C)C 1 3.181 2 1 -13.8845936156401 3240584 C1CC(OC1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.842 2 5 0 -20.2841604167827 3240580 CCC1=CC=C(C=C1)NC(=O)C2=NOC3=C2CCCCC3 1 4.279 2 2 -11.9032415398517 3240579 COC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=CC=C3Br)N 1 3.712 3 5 0 -7.03381759573337 3240578 C1CN(CCN1CCC#N)S(=O)(=O)C2=CC=C(C=C2)C#N 1 0.762 4 2 0 -17.5295300892488 3240577 CCOC1=CC=C(C=C1)NC(=O)CCN2C=CC=C2 1 2.346 2 2 -7.61532279442415 3240576 CC1=CC(=O)N(N1)C2=CC=C(C=C2)OC 1 0.996 2 2 0 -2.37042522246846 3240575 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)C(=O)OC)CCO)O 1 2.7e-002 1 6 0 -19.2437134959278 3240574 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)NCCCOC)C 1 0.481 3 5 0 -24.464785403865 3240573 CC1=NN(C(=C1)NC(=O)NC2=CC(=NN2C3=CC=CC=C3)C)C4=CC=CC=C4 1 3.79 6 1 0 -7.19517911845304 3240572 CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3CCCCCC3 1 2.722 3 4 0 -9.97112451460997 3240570 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=CN3C4=CC=C(C=C4)F 1 3.193 3 3 -8.92550137272192 3240569 CC1=CC(=CC(=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C)C 1 1.999 3 4 0 -20.9089353995023 3240567 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NCC3=CC=CS3 1 1.388 2 4 0 -29.9596290432641 3240565 CCN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)NC3=CC(=CC=C3)OC 1 1.945 3 4 0 -7.61010343629661 3240564 C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=N3)SCC#N 1 2.726 6 2 0 -16.5636903478472 3240562 CC1=C(NC(=C1C(=O)C)C)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.666 2 4 -12.755147203176 3240560 CCOC(=O)C1=C(N=C(S1)C)C2CCN(CC2)C(=O)OCC 1 2.202 2 4 -8.99512739241816 3240557 CCOC1=C(C=C(C=C1)CCNC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)C)OCC 1 3.96 3 4 0 -15.3314150215615 3240556 C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 3.219 3 5 0 -11.5907733592303 3240553 CC1CC(CN(C1)CCCNC(=O)C2CCC(=O)N2C3CCCC3)C 1 2.189 3 2 -18.1046243970034 3240548 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CSC(=N3)C4=CN=CC=C4 1 1.555 3 4 0 -7.47691325165642 3240547 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)N3CCC4=CC=CC=C4C3 1 1.314 3 4 0 -23.1096048276355 3240546 CC1CC2=C(C(CC(=O)N2)C3=CC(=CC=C3)C)C(=O)C1C(=O)OC 1 2.12 1 4 -12.6990372418066 3240545 CN1C2=C(C=CC(=C2)C(=O)N3CCC4(CC3)OCCO4)SC5=CC=CC=C5C1=O 1 2.587 2 4 -7.47766892708478 3240544 CSC1=NN2C(=NN=C2C3=CC(=CC=C3)F)C=C1 1 3.064 4 0 1.24523126527216 3240543 C1=COC(=C1)CNC(=O)C2=CC3=C(O2)N=C4C=C(C=CC4=C3)Cl 1 3.448 2 3 -3.23294344323885 3240542 CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)C3=NOC4=C3CCCCC4)C 1 4.484 4 2 -14.6972988096772 3240540 CC1=C(SC2=NC(=CN12)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 1 3.607 3 1 0.459323734347662 3240539 CN(C)C1=CC2=C(C=C1)NC(=S)N(C2=O)CCOC 1 2.173 3 2 -7.87209851961983 3240536 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C(C)(C)C 1 4.721 2 4 -10.1579174782343 3240535 CCC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCCC3=CCCCC3 1 3.221 2 3 -14.3285681210699 3240533 C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4 1 2.014 3 4 0 -27.8563611291788 3240531 CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC 1 2.471 3 5 0 -13.3275303766476 3240530 C1CN(CCC1C(=O)N2CCN3C2=NC4=CC=CC=C43)S(=O)(=O)C5=CC=CC6=NSN=C65 1 2.619 6 3 0 -13.5439969342191 3240529 COC1=CC(=C(C=C1)OC)NC(=O)CC(CC2=CC=CC=C2OC)C(=O)O 1 2.697 1 6 0 -10.0018626941705 3240528 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)NC3=CC=C(C=C3)F 1 3.243 1 3 -4.46461355660363 3240526 C1CCCC(CC1)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3F 1 3.424 3 2 -12.8926439489517 3240525 CC1=CSC(=N1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 1.385 4 4 0 -26.0191748251013 3240524 CC1=C(SC=C(C1=O)NC)C 1 0.555 1 1 0 -4.30780346919531 3240523 CC1CCCN(C1)C(=O)CNS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C 1 1.587 3 3 0 -11.6241878105895 3240521 CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)C3(CC3)C(=O)OC)Br 1 1.771 1 5 0 -8.17685860100392 3240520 COC1=CC=C(C=C1)C2CCCN2C(=O)C3=CC=CS3 1 3.254 1 2 -3.26143323595095 3240519 C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.414 2 4 -15.1297594665468 3240518 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Cl)C 1 3.906 3 2 -8.81934016517686 3240517 CCCOC1(C(=CC(=O)C=C1C)C)NC(=O)C2=CC=CC=C2 1 3.481 1 3 -5.91007498387443 3240516 CC(C1C(=O)NC(=O)S1)C(=O)O 1 0.372 1 4 0 -8.33960998030783 3240515 CC1CCCCN1CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3C 1 3.54 2 4 -15.5076350883363 3240514 CCC(C(=O)OC)N1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)Cl 1 2.686 4 3 0 -6.36296927844553 3240513 C1CCC(C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.215 3 3 -17.5113106215406 3240511 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCN3CCOCC3)NC1=O 1 1.59 4 4 0 -16.0417086326214 3240510 CC1=CC=C(C=C1)CC2=C(N3C(=C(C=N3)C(=O)O)N=C2C)C 1 2.758 3 2 -12.5060627373833 3240508 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCCO4 1 2.171 2 5 0 -18.1800358717649 3240507 CN(C1CCCCC1)C(=O)CSC2=NC(=O)C3=C(N2)CCCC3 1 3.146 3 2 -21.8511129458224 3240506 CC1=CC=C(C=C1)NC(=O)CCC2=C(N3C(=NC=N3)N=C2C)C 1 2.567 5 1 -18.5525450240459 3240504 CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)COC3=CC=CC=C32 1 0.548 3 5 0 -11.5105049695433 3240503 COC1=CC=CC=C1C(=O)NCCN2C=CC3=CC=CC=C32 1 3.169 2 2 -13.857244574154 3240502 COC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)N3CCCCC3 1 2.508 2 3 -11.9345352939475 3240501 CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CN=CC=C2 1 -0.168 3 3 0 -23.3293683755052 3240500 CCN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)NC3=CC=CS3 1 2.689 4 1 -3.12105015027209 3240498 COC1=CC=C(C=C1)NC(=O)CNS(=O)(=O)C2=CC=CS2 1 1.147 2 4 0 -13.1148112416561 3240497 CC(NC(=O)NC1=CC=CC=N1)N2C(=O)C3C4CC(C3C2=O)C=C4 1 0.424 4 3 0 -5.15841691987349 3240496 CC12CC(C3=CC=CC=C3O1)NC(=O)N2C4=CC(=C(C(=C4)OC)OC)OC 1 2.73 2 5 0 -6.07414371776638 3240495 CC(C)C(CC(=O)NCCC1=CCCCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 2.717 3 4 0 -24.933955037977 3240494 CC1=CC=CC2=NC(=CC(=O)N12)CN3C4=CC=CC=C4C(=O)N(C3=O)CCC(=O)NCC5=CC=CO5 1 1.308 5 5 0 -23.4344437297026 3240493 CCN(CC)CCCNC(=O)C1=NOC(=C1)C2=CC(=CC=C2)Cl 1 3.293 3 2 -3.7471034431361 3240492 CC1(NC(=O)C(=N1)C2=CC(=CC=C2)F)C 1 1.307 2 1 0 4.26484845085156 3240490 C1CCC2=C(C1)C(=O)N=C(N2)SCC3=CC(=CC=C3)Cl 1 4.27 2 1 -13.247171102025 3240487 CC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NCCC(C)C 1 4.085 2 2 -5.88572992581996 3240486 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=CN5C=CC=NC5=N4 1 2.685 4 3 0 -3.75109479806467 3240485 CC1=CC(=CC=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 2.455 2 3 -13.1200919600317 3240484 COC1=C(C=C2C(=C1)C3=NC(=NN3C(=N2)NCCN4CCOCC4)C5=CC=CC=C5)OC 1 2.605 6 3 0 -5.30535733694206 3240481 COC1=CC(=C(C=C1)N2C(SCC2=O)C3=CC(=CC=C3)F)OC 1 3.412 1 3 -10.274991100525 3240480 CCOCC(=O)NC1=CC=C(C=C1)C2=CN3C=CC=NC3=N2 1 1.338 4 2 0 -6.12874991573167 3240479 CN1C2=C(C=C(S2)C(=O)NCC3=CC=CC=N3)C(=N1)C4=CC(=CC=C4)OC 1 3.297 4 2 -5.58968954988211 3240477 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NC(C)CCC3=CC=CO3 1 2.217 5 2 0 -26.8726475394215 3240474 CC(C)C1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)COC 1 1.467 1 4 0 -5.24940646805486 3240473 CCOC(=O)CSC1=NN=C(N1C)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.558 5 5 0 -36.2218077145672 3240472 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2 4 -5.09049677078866 3240457 CN(CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CN2)CC3=CC=CC=C3 1 0.361 5 3 0 -9.32063347257366 3240456 CC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.861 3 3 -16.8463290749816 3240453 C1=CC2=NON=C2C(=C1)S(=O)(=O)NCCC(=O)NCC3=CC=CS3 1 0.942 4 4 0 -20.0888262144658 3240451 CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CCCCC3 1 1.971 3 4 0 -20.7668377409848 3240450 C1CC(OC1)CNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3 1 2.051 2 4 -20.3710930846092 3240447 CCC1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 2.752 3 4 0 -10.8034647551312 3240446 C1CC(C2=CC=CC=C2C1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54 1 3.354 4 3 0 -14.3549487885559 3240445 CCOC(=O)N1CCC(CC1)NC(=O)CCC(=O)N2CC(OC3=CC=CC=C32)C 1 1.122 3 5 0 -15.4023195927438 3240444 CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)C4CCCC4 1 4.044 2 3 -0.35837764291421 3240437 CCOC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC(=O)NCC4=CC=CO4)SC(=C3C)C 1 3.128 3 5 0 -18.327736220756 3240435 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COC1=CC=C(C=C1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.337 4 3 0 1.05442169086421 3239969 C1CCC(C1)N2CC(CC2=O)C(=O)NCCN3CCN(CC3)CC4=CC=CC=C4 1 1.814 4 2 0 -13.8990966848334 3239968 CCCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N 1 2.724 2 2 -6.24549203631949 3239967 CCCCSC1=C(C(C(C(=O)N1)C(=O)OCC)C2=CC=CC=C2C)C#N 1 4.041 2 3 -21.5986926145283 3239964 C1C(C=CS1(=O)=O)N(C2=CC=C(C=C2)F)C(=O)CC3=CC=C(C=C3)F 1 2.646 1 3 -2.97814344919179 3239963 CCOC(=O)C1=C(C(=CN1)C2=CC=CC=C2)N3CCOCC3 1 2.787 2 3 -3.95937703718782 3239962 C1CCN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CCCO3 1 -0.539 3 4 0 -18.8193977204548 3239961 COC1=CC=C(C=C1)N2CCC(C2)CNC(=O)NC3=C(C=C(C=C3)OC)OC 1 2.807 3 4 0 -7.69114519533504 3239960 COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NCC4CCCO4 1 2.36 2 4 -8.2857627492507 3239958 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 1.866 2 3 0 -19.5958131784703 3239957 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)NCC4COC5=CC=CC=C5O4 1 0.633 2 5 0 -10.7796984033807 3239956 CC(C)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CS2 1 1.274 2 3 0 -19.9200317997767 3239954 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=NOC(=C3)C4=CC=CS4 1 3.724 3 2 -1.69072469745298 3239953 CC(C)(C)C1CCC2=C(C1)C(=NO2)C(=O)NC3=CC=CC=C3C(=O)OC 1 3.901 2 4 -20.6039972441039 3239951 CCN(CC)CC.CC1(OC(=C(C(=O)O1)C(C2=CC=CC=C2)C(C#N)C(=O)N)O)C NEt3 1 1.042 2 5 0 -6.83349531653992 3239949 CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)NCC3=CC=C(C=C3)F)Cl 1 0.641 4 2 0 -10.4562793799082 3239947 CC1=C(C(C(=C(S1)N)C(=O)OCC2=CC=CC=C2)C3=COC=C3)C#N 1 2.86 2 3 -13.7680296262086 3239946 C1CCC(=C(C(=O)N2CCCC2C(=O)O)NC(=O)C3=CC=CC=C3)CC1 1 2.689 2 4 -11.2297964144666 3239945 CC1(CC2=C(C(CC(=O)N2)C3=C(C=CC(=C3)F)F)C(=O)C1)C 1 2.419 1 2 -15.6202566546404 3239944 CC(C1=CC=CC=C1)NC(=O)CN2C(=O)COC3=CC=CC=C32 1 1.846 2 3 0 -11.7354309799411 3239943 CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)C2=CC=C(C=C2)Br 1 2.051 1 5 -21.4615532717425 3239942 CC(C(=O)NCC1=CC=CS1)N2C=CC=C2 1 1.997 2 1 0 -11.0650801048207 3239941 COC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CC=C3)C4CCCCCC4)OC 1 4.115 2 4 -12.7771678351107 3239940 COCCNC(=O)C1=NOC2=C1CCC3=C2C=CC(=C3)OC 1 2.184 2 4 -10.7614130037922 3239937 COC1=CC=C(C=C1)N2CC3=CC=CC(=C3C2=O)C(=O)N4CCOCC4 1 1.659 2 4 0 -10.0558684524954 3239933 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NCCCN3CCCC3=O 1 1.823 2 5 0 -26.409691182665 3239932 CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CCCC(C3)C(=O)NCCCN4CCOCC4 1 2.276 4 3 0 6.40229415929703 3239931 CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)CNS(=O)(=O)C3=CC=C(S3)Br 1 2.854 3 3 -14.9762808877599 3239930 C1CC(OC1)CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S 1 1.808 3 3 0 -20.3203662823224 3239928 CCN1CCCC1CNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3C 1 3.084 2 4 -18.6194014951895 3239926 CC1CN=C(S1)N(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3OC 1 4.161 3 2 -9.98167353777445 3239925 CCOCCCNC(=O)C1CCN(CC1)S(=O)(=O)N(CC(C)C)CC(C)C 1 1.305 3 4 0 -24.7376172024621 3239922 CCCCNC(=O)CC(=O)NC1=CC=CC=C1C(=O)O 1 1.297 2 4 0 -13.9471662331155 3239921 COCCCNC1=NC(=S)NC2=CC(=C(C=C21)OC)OC 1 2.095 3 3 -8.76772463825247 3239919 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(O4)N=C6C=C(C=CC6=C5)Cl 1 4.197 3 4 0 4.00350201238642 3239918 CC1=C(C(=NN1)C)S(=O)(=O)N(CC(=O)N2CCC3=CC=CC=C32)C4=CC=C(C=C4)OC 1 2.296 4 4 0 -17.1785850696954 3239917 COCC(=O)NCC1=NC2=CC=CC=C2N1CC3=CC=CC=C3F 1 2.397 3 2 -12.54649008818 3239916 C1CCC(C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CCC4 1 2.758 2 3 -17.0208338988778 3239915 C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(S3)Br 1 4.067 1 2 -1.50385543457822 3239914 CC(C(=O)OC)SC1=NN2C(=NN=C2C3=CC=C(C=C3)F)C=C1 1 3.255 4 2 -7.71218312323538 3239912 CCOC(=O)C1=CC(=CC=C1)NC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)C 1 3.171 3 4 0 -10.3064804792343 3239910 C1COCCN1CCNC(=O)CCC2=NC(=NO2)C3=CC=CC=C3F 1 0.936 4 3 0 -17.1593782393187 3239909 CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4 1 1.618 4 6 0 -9.00280199504702 3239905 CCOC1=CC=CC=C1CNC(=O)CCN2C(=O)COC3=CC=CC=C32 1 2.049 2 4 -17.1501232000416 3239904 CC1=NC(=C2C(=N1)OC(=N2)C)NC(C)C(=O)O 1 0.305 4 3 0 -9.67134742704552 3239903 CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C)C4=CC(=C(C=C4)C)C 1 4.421 4 1 -4.55894509397974 3239902 CCOC(=O)N1CCN(CC1)C(=O)C2=C3N=C(C(=C(N3N=C2)C)CC4=CC=C(C=C4)C)C 1 2.752 5 3 0 -15.6999912416121 3239901 CCCC(=O)NC(C)C1=NC2=CC=CC=C2N1CC(=C)C 1 3.542 3 1 -20.1066949596138 3239900 CC1=C(N=C(O1)C2=CC=CC=C2F)CS(=O)CC(=O)N3CCC4(CC3)OCCO4 1 0.985 2 5 0 5.17569647989008 3239899 CCOC1(C(=CC(=O)C=C1C)C)NC(=O)C2=CC=CC=C2 1 2.957 1 3 -5.80801906117788 3239898 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=NOC(=C3)C4=CC=CS4 1 3.921 4 2 -10.005228707564 3239897 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3CCOCC3)NC1=S 1 1.108 4 4 0 -16.1504326619699 3239896 CC1=CC=C(C=C1)CN2C3=C(C=C2C(=O)NCCCN4CCOCC4)SC=C3 1 3.74 3 2 -9.91796561163138 3239895 CCCOC1=CC=C(C=C1)C2=NC(=NN2)N 1 2.145 4 1 2.55630828611229 3239894 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC(C)(C)C)C)Br 1 2.852 3 2 -12.2245498512531 3239893 CCOC(=O)N1CCC(CC1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCCC3 1 2.962 3 4 0 -13.520837428956 3239892 CC(C)OCCCNC(=O)CN1C(=O)C=CC(=N1)C2=CC=CC=C2 1 1.371 3 3 0 -14.2601786654967 3239891 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCCCN2CCCC2 1 1.819 2 3 0 -14.6483111306601 3239888 C1CC2=C(C(CC(=O)N2)C3=CC4=C(C=C3Br)OCO4)C(=O)C1 1 2.066 1 4 -16.8608072667258 3239887 CCCCNC(=O)C1=C(OC(=O)C=C1C)C 1 1.78 1 3 0 -13.2317770876963 3239886 COC1=C(C=C(C=C1)CCNC(=O)C2=NOC3=C2CCCC3)OC 1 3.175 2 4 -18.4252527869126 3239885 COCC1=CC2=C(C=C1)OC(=C2)C(=O)O 1 1.858 0 4 0 -1.34685752389154 3239882 CCN1C=C(C(=N1)C)C2=NOC(C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.431 4 4 0 -10.1774089379558 3239881 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)N4CCN(CC4)C5=CC=CC=C5 1 2.542 5 2 0 -11.1623617158363 3239880 CC1CCC(CC1)NC(=O)CN2CCCN(C2=O)CC3=C(C=C(C=C3)F)Cl 1 3.285 3 2 -13.0425379134462 3239879 CCC1CCCCN1CCCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3 1 1.578 4 3 0 -18.0893927642754 3239878 C1CCC(=CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.524 4 4 0 -20.178832457415 3239877 C1CCCC(CC1)NC(=O)CN2C(=O)C3=C(C=CS3)NC2=O 1 2.098 3 3 -12.6673422941295 3239876 CN1C(=CC2=C1N=C3C=CC=CN3C2=O)C(=O)N4CCC5=CC=CC=C54 1 2.118 4 2 -18.278819554949 3239875 C1CC2CC1C3C2SC4=C(C3C5=CC=CO5)SC(=O)N4 1 3.297 1 2 -7.83415202038764 3239873 CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=O)C3=NOC4=C3CCCC4 1 4.462 4 2 -13.9323802558009 3239872 CC1CCC2=C(N1C(=O)C3=CC=C(O3)CN4C(=C(C(=N4)C)Br)C)C=CC(=C2)F 1 4.817 3 2 -8.75768971848788 3239871 CC1CC2=CC=CC=C2N1C(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4 1 1.729 3 4 0 -20.6086738219478 3239870 C1=CC=C2C(=C1)C(=O)NC(O2)C3=CC=CS3 1 2.582 1 2 -4.61864516672638 3239869 CCC(=O)OC1=C(C(=NN1C(C)(C)C)C)S(=O)(=O)C2=CC=C(C=C2)C 1 3.841 2 4 -10.266938911831 3239868 CC(C)(C)NC1=NC(=NC(=N1)N2C=CN=C2)NC(C)(C)C 1 1.713 7 0 0 -6.38180068179543 3239867 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCN3CCC(CC3)C 1 2.116 3 3 -19.7945288506612 3239866 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC=N4 1 1.955 5 1 0 -3.58080635870167 3239865 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCC3)C(=O)NC4=CC(=CC=C4)NC(=O)C 1 1.608 5 4 0 -23.8530936356167 3239864 CC1CC2=CC(=CC(=C2N1C(=O)C)S(=O)(=O)NCC3=CN=CC=C3)Br 1 1.7 3 3 0 -10.6753027836108 3239863 CCOC(=O)CC(=O)CSC1=NN2C(=NN=C2C3=CC=CC=C3)C=C1 1 2.825 4 3 0 -10.628149372669 3239862 CN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)N3CCC4(CC3)OCCO4 1 0.307 3 5 0 -13.8293742874685 3239861 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 0.547 3 6 0 -24.3886028642584 3239859 CC1=NN(C=C1C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)C)C 1 2.454 4 3 0 -8.44315243627115 3239858 CCC(C)C(C(=O)NCC1=CN=CC=C1)NC(=O)C2CCC(CC2)C 1 3.028 3 2 -26.288307160981 3239857 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N4CCOCC4 1 1.59 2 5 0 -10.2112684985539 3239856 CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCC3(CC2)OCCO3 1 1.065 2 4 0 -11.383525909545 3239854 COC(=O)NC1CSCC1OC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 0.894 2 6 0 -8.86554011128607 3239852 CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C 1 2.423 3 5 0 -14.8960582716424 3239851 CCC(C(=O)N1CCC2=CC=CC=C2C1)N3C(=O)C4=CC5=C(N4C(=N3)C)C=CO5 1 3.201 4 3 0 -12.5075259562855 3239847 C1CN(CC2=CC=CC=C21)CCNC(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O 1 1.097 4 3 0 -21.9617650342343 3239846 CCOC1=CC=C(C=C1)C(=O)N(CN2CCCC2=O)C3=CC=CC=C3 1 2.788 2 3 -14.9524087032906 3239845 CC(C)CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C 1 2.356 4 2 -13.4889669903998 3239842 CCOC(=O)N1CCC(CC1)NC(=O)CCC(=O)N2CCOC3=C2C=C(C=C3)C 1 1.23 3 5 0 -17.0942868105169 3239840 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3CCCN(C3)S(=O)(=O)C4=CN=CN4 1 1.472 5 3 0 -11.9064276592415 3239839 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCCCOC(C)C)C 1 1.916 2 4 0 -17.9901023865525 3239838 C1CN(CCC12OCCO2)C(=O)C3=CN4C(=NC5=C(C4=O)C=C(C=C5)Cl)C=C3 1 1.441 3 4 0 -11.9164752607437 3239837 C1CCC2=C(C1)N(C3=CC(=C(C=C3[N+]2=O)F)F)[O-] 1 2.376 2 2 -3.80984855269142 3239833 COC1=CC(=CC(=C1)NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)OC 1 4.209 4 3 0 -11.4122837699459 3239832 C(CS(=O)CCNC(=O)C(F)(F)F)NC(=O)C(F)(F)F 1 0.244 2 3 0 -3.71337098119575 3239831 C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)Cl)O 1 3.037 1 2 1.00279745022554 3239830 CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CN4C 1 3.31 7 1 0 -28.2459769020652 3239826 CC1=CC(=CC=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=CC=C4OC 1 2.756 5 3 0 -2.84654855002573 3239825 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3C(=O)O 1 1.774 4 5 0 -12.5834795103254 3239824 CCS(=O)(=O)N1CCC(CC1)C(=O)N2CCC3=CC=CC=C3C2 1 1.263 2 3 0 -22.6240064339569 3239823 C1CN(CCC12OCCO2)C(=O)C3=CC(=O)NC4=C3C=C(C=C4)Br 1 1.439 2 4 0 -11.7230628301891 3239822 CC(=O)OC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=NC=C4)S2)OC 1 2.467 4 4 0 -10.8136640921036 3239821 COC1=C(C=C(C=C1C=NN2C=NN=C2)Cl)Cl 1 2.357 4 1 4.63497480008362 3239820 CN(C(=O)C1=CNC(=O)C=C1)C2(CCCCC2)C(=O)NC3CCCCC3 1 1.896 3 3 0 -18.94883724955 3239818 CCN1CCCC1CNC(=O)C2CCN(CC2)CC3=C(OC(=N3)C4=CC(=CC=C4)Br)C 1 3.492 4 2 6.84497803253188 3239817 C1C2CC3CC(C2)(CC1C(=O)O3)O 1 0.516 0 3 0 -2.23403923732278 3239815 COC(=O)C1=CC(=O)N=C2N1N=C(S2)C3=CC=CS3 1 2.203 3 3 -9.93659824148522 3239814 COCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC=CC=C3OC 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CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCC2=CC=CC=N2)C 1 2.113 3 3 -11.3537851749987 3239795 CCC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NON=C32 1 2.137 4 4 0 -12.2000419652928 3239792 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)OC)OC 1 1.501 4 5 0 -9.22400766223137 3239791 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.1 3 4 0 -20.7739848335985 3239787 CC1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CS3 1 1.134 3 3 0 -19.1518763815434 3239786 C1CN(CCC1CC2=CC=CC=C2)CCCNC(=O)C3CCN(CC3)S(=O)(=O)N4CCOCC4 1 1.187 4 4 0 -13.986703912248 3239785 C1=CC=C(C=C1)C(=O)C2=CC=CN2CC(=O)O 1 2.306 1 3 -6.35912774621747 3239784 CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCCCN3CCOCC3 1 2.002 2 5 0 -9.60425116606416 3239783 CC1=C(SC2=C1C(=O)N3C=CC=C(C3=N2)C(=O)N4CCN(CC4)C5=NC=CC=N5)C 1 0.881 6 2 0 -11.6342348170301 3239782 CCOC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.701 3 4 0 -12.8429421195836 3239781 CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CN=CC=C2 1 2.479 2 3 -4.86246396827208 3239780 COC1=C(C=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5)OC 1 3.721 6 3 0 -11.1682029600061 3239779 C1=CC(=CN=C1)OC(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.44 1 2 -5.18006470406988 3239778 C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)F 1 3.352 3 3 -18.0187314305428 3239776 CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CN=CC=C3 1 7.e-002 4 4 0 -10.237131777787 3239775 CCOC1=CC=C(C=C1)N(CCC#N)S(=O)(=O)C2=CC=C(C=C2)OC 1 2.818 2 4 -11.5821135383125 3239774 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3OC 1 1.67 4 5 0 -15.9132283486669 3239773 C1CN(CCC1C(=O)O)S(=O)(=O)N2CCOCC2 1 -1.249 2 5 0 -14.1018448530801 3239770 CC[N+]1=C2C=CC(=CC2=C(C=C1)C)S(=O)C(F)(F)F.CC1=CC=C(C=C1)S(=O)(=O)[O-] Cc1ccc(cc1)S(=O)(=O)O 1 5.035 1 1 5.49320466709959 3239769 CC1=CC(=NO1)NC(=O)CSC2=NN=C(O2)C3=CC=C(S3)Cl 1 2.4 4 3 0 -20.904082857334 3239768 CC(C)C(C(=O)NC1=CC=CC=N1)NC(=O)C2CCCCC2 1 2.852 3 2 -12.8829325863297 3239767 C1CCC2=C(CC1)SC=C2C(=O)N3CCC4(CC3)OCCO4 1 2.81 1 3 -9.93298008849126 3239766 C1CCC2(CC1)C(=CC(=O)O2)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5 1 3.974 2 2 -3.31869868121836 3239765 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CN=CC=C3 1 0.849 3 4 0 -17.1009754903923 3239763 CCCCN(CCCC)C(=O)CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(C(=O)C(=O)N2C)C 1 1.502 4 5 0 -16.1533949193691 3239762 CCN(CC)C(=O)CSC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F 1 2.887 6 1 0 -15.2796458788125 3239761 C1CCC(CC1)NC(=O)CC2=COC(=N2)C3=CC=C(C=C3)F 1 3.387 2 2 7.02718614798025e-002 3239760 C1=CC=C(C(=C1)C2=NSC(=N2)SCC(=O)N)Cl 1 2.38 3 1 -5.63210810581446 3239759 CCCCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(CCC2)C(=O)C 1 2.481 2 3 -20.0908641488888 3239757 COC1=CC=C(C=C1)OC(=O)C2=CC=NC=C2 1 2.094 1 3 -6.1466626238861 3239755 CCCNC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.52 4 3 0 -18.5121976119327 3239754 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NC3=CC=C(C=C3)C(=O)C 1 1.821 5 2 0 -22.0789309605087 3239753 C1C=CCC(C1C(=O)NC2=CC=C(C=C2)Cl)C(=O)OCC(C(F)F)(F)F 1 3.711 1 3 -3.43955495394559 3239752 COCCNC(=O)C1CC(=NO1)C2=CC(=CC=C2)OC 1 0.658 2 4 0 -8.5071878585127 3239750 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CN=C3N(C2=O)C(=CS3)C 1 0.804 4 4 0 -17.7475485216185 3239748 C1=CC=C(C(=C1)CN2C=CC=C2C(=O)N)Cl 1 2.671 2 1 -2.94219902875372 3239747 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 2.435 2 3 -8.33440405358939 3239746 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NCCC3=CC=CC=C3)OC1=O 1 1.669 3 5 0 -16.0619193451819 3239743 CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCN(C)C 1 -1.403 3 3 0 -8.18530034295159 3239742 C1COC2=CC=CC=C2N1CC(=O)NCC3=CC=CS3 1 2.177 2 2 -16.7453690043649 3239740 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCOC(C)C 1 1.074 2 5 0 -19.5570445262672 3239738 CC1=C(C=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C)C 1 2.794 3 3 -8.74444383833743 3239737 CC1=NN(C(=O)C2=CC3=C(N12)C=CO3)C(C)C(=O)NCC4CCCO4 1 1.172 4 4 0 -15.2063741677711 3239736 CC1(CCC(=O)N1CC2=CC3=C(C=C2)OCO3)C(=O)NC4CCCC4 1 2.095 2 4 -9.35570144363631 3239735 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5C#N 1 3.419 4 5 0 -17.4672071745357 3239734 COC1=CC(=C(C=C1)OC)NC(=O)CCNS(=O)(=O)C2=CC=CS2 1 1.379 2 5 0 -16.1570767502319 3239733 CC1=C(C(=NN1)C)CCCOC2=C(C=CC=C2OC)OC 1 3.013 2 3 3.56003545356781e-003 3239732 CN(CC(=O)NC1=CC(=C(C=C1)F)Cl)S(=O)(=O)C2=CC=CC3=NSN=C32 1 2.581 4 3 0 -7.54789905921788 3239730 CCOC(=O)N1CCN(CC1)C(C2=CC(=CC=C2)OC)C3=C(N4C(=NC(=N4)C)S3)O 1 2.672 5 4 0 -6.22327316199893 3239728 CCOC(=O)N1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C 1 1.178 3 5 0 -7.92761114519443 3239727 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N(C)C3CCCCC3 1 2.619 2 3 -6.87530583860576 3239726 CC1=CC=CC=C1CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CO4 1 3.811 2 3 -4.97489423638649 3239723 CC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NCC4=CC5=C(C=C4)OCO5 1 3.856 2 4 -3.79801639672822 3239722 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3 1 1.952 2 4 0 -14.2941660068097 3239721 CCC(C(=O)NCCN1CCN(CC1)C)N2C(=C3C=NN(C(=O)C3=C2C)C4=CC=CC=C4)C 1 2.39 6 2 0 -9.09969817880232 3239720 CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NN3C(=CC(=NC3=N2)C)C 1 3.546 5 1 -17.2983989404179 3239719 C1=CC=C(C=C1)COC2=CC=CC(=C2)C(CC(=O)O)N 1 -0.218 1 3 0 -6.73986496658775 3239718 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3=CC=CC=C3OC 1 3.397 1 5 -1.86770147518628 3239716 CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)OC 1 1.194 4 4 0 -10.1759724919898 3239713 C1COCCN1CCCNC(=O)CCSCCC2=CC=NC=C2 1 0.746 3 2 0 -14.150416875841 3239712 CCCCC(CC)CNC(=O)CCS(=O)(=O)C1=CC=CC2=NON=C21 1 3.25 3 4 0 -18.4210595759552 3239711 C1=CC=NC(=C1)CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 1 3.834 4 3 0 -5.5061506500766 3239710 CCC1=CC=CC=C1N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=CS3 1 3.096 1 3 -8.46216247415269 3239709 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.61 3 3 -4.90255171671982 3239705 CSC1=CC=CC(=C1)NC(=O)CN2C=CC=C2 1 2.307 2 1 -2.28586362180915 3239704 CC1=NC2=C(N1C3=C(C=C(C=C3)F)F)C=CC(=C2)C(=O)O 1 3.429 2 2 -2.00177684291502 3239702 CC1CCN(CC1)CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3F 1 3.203 2 4 -12.2180746702986 3239698 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NCCSCC3=CC=CC=C3 1 2.245 2 4 -23.9687205225245 3239697 CC1=C(C(=NN1C)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCCC3 1 1.698 4 3 0 -14.1865422558637 3239696 C1C2=CC=CC(=C2C(=O)N1CC3=CN=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5 1 1.983 3 4 0 -11.7904805253646 3239695 COC1=CC=CC=C1NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCC(CC4)C(=O)N 1 1.911 4 3 0 -6.02273026889629 3239694 C1CS(=O)(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.038 2 6 0 -12.7916860000016 3239692 CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)F)C#N 1 2.596 3 1 -10.3363615760842 3239691 CC1=CC=C(O1)CNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.903 2 3 0 -13.335675079245 3239690 COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNS(=O)(=O)C3=CC=CC=C3 1 1.995 2 5 0 -10.4988386832554 3239689 CC1=CC(=NN1CC(COC2=CC=CC=C2OC)O)C 1 2.013 2 3 -10.3396216458032 3239688 CCOC(=O)N1CCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)O 1 1.464 1 5 0 -5.795872428847 3239687 CC1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCOC 1 1.734 5 3 0 -9.8002185111942 3239684 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=CC=C3SC)OC 1 3.816 2 4 -11.6097818904164 3239683 CCC(C)NC(=O)C1C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3OC 1 3.009 2 3 -15.5766802687565 3239681 CC1=CC(=NO1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N 1 2.691 3 2 -24.6902642170008 3239680 CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C 1 3.758 3 3 -3.55663630498027 3239679 CC1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3C4(C2=O)OCCCO4 1 1.917 2 4 0 -16.0659035419138 3239676 COC1=C(C=C(C=C1)Cl)N2C(=C(SC2=S)C(=O)N)N 1 2.758 3 2 -3.13010964758023 3239675 CCN1C=C(C2=CC=CC=C21)C3=NCC(O3)C 1 2.99 2 1 -4.27026904792787 3239674 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CN3C4=CC=CC=C4C=N3 1 3.517 4 1 1.10786816541508 3239673 CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl 1 1.792 4 4 0 -4.52807235277547 3239672 CCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=NC=C3)C(=O)OC(C)C)C 1 2.309 4 3 0 -29.1122071786073 3239671 COCC(=O)NC1=C(OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3OC 1 2.05 2 5 0 -5.05853395690884 3239670 CC1=C(C=CC=C1Cl)NC(=O)CN2C(=C(N=N2)C(=O)OC)C(=O)OC 1 2.23 4 5 0 -16.2669564312693 3239669 C1CCC(=CC1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 2.819 1 4 -10.680791265974 3239667 C1CC(CN(C1)C2=NN=C(S2)N3C=CC=C3)C(=O)N4CCC5(CC4)OCCO5 1 1.349 5 3 0 -8.55673431366965 3239666 CCC(C)(C(=O)NC1CCCCC1)N(CC2CCCO2)C(=O)C3=CC=CC=N3 1 3.118 3 3 -23.1522794714007 3239664 COC1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C=CC=N3)CCC(=O)N4CCN(CC4)C5=CC=CC=N5 1 2.638 6 3 0 -5.8989056047975 3239663 C1=CC=C(C(=C1)CSCCC(=O)O)F 1 2.313 0 2 -9.51337572075063 3239662 C1CC2CC1C(C2C(=O)O)C(=O)NCC3=CC=CC=N3 1 1.008 2 3 0 -10.6478433214472 3239661 CCOC1=CC=C(C=C1)C2=NC(=O)ON2 1 1.667 2 3 0 -2.56011615425347 3239660 CCN1C(=O)C2=C(NN=C2C1=O)C(=O)OC 1 0.23 3 4 0 -6.23712318567654 3239656 CCN(CCCN1C(=O)C2=C(NC1=S)N=CC=C2)C3=CC=CC=C3 1 3.752 4 1 -5.0322676069824 3239655 CCOC(=O)CC1=CSC(=N1)NC(=O)C2CCCCC2C(=O)O 1 1.926 2 5 0 -10.778149148697 3239654 CC1=CC=CC=C1C(=O)C2=CC=CN2CC(=O)NCC3=CC=CO3 1 3.136 2 3 -17.706971849493 3239653 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CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4 1 0.104 6 4 0 -6.63205219435599 3239593 CC(CC1=NSC(=N1)NC(=O)C2=CC=C(O2)Br)O 1 1.357 3 3 0 -4.26411737630154 3239592 CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.413 4 2 -22.4205741617093 3239591 C1OC2=C(O1)C=C(C=C2)CNC(=O)CNS(=O)(=O)C3=CC=C(S3)Br 1 1.507 2 5 0 -15.936703997711 3239587 CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C43)CNC(=O)C5=CC=CO5 1 4.329 5 3 0 -25.108086533635 3239586 C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=CC=C(C=C4)F 1 1.2 2 3 0 -7.38540208725621 3239585 C1CN(CCC1C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)C4=CN=CN4 1 -1.404 7 3 0 -6.9376648521622 3239584 CCS(=O)(=O)N1CCCC(C1)C(=O)NC2CCCC2 1 0.936 2 3 0 -18.9927723355555 3239582 CN(CC(=O)NCC1=CC(=CC=C1)OC)S(=O)(=O)C2=CN=CN2 1 -0.415 4 4 0 -10.2212612783028 3239581 CC1=CC(=NO1)NC(=O)NC2=CC=CS2 1 1.448 3 2 0 -14.0370096892404 3239580 CC(C)C(CC(=O)NCCCN1CCOCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 0.278 4 5 0 -24.6313359878109 3239579 C1=CC=C2C(=C1)NC(=NS2(=O)=O)CCCC(=O)N 1 0.206 3 3 0 -9.92721272747081 3239578 COC1=CC(=C(C=C1)NC(=O)C(C(F)(F)F)(OC)F)OC 1 2.209 1 4 -9.69484456842178 3239576 C1OC2=C(O1)C=C(C=C2)NC3=NC4=CC=CC=C4N5C3=NN=N5 1 1.456 6 2 0 -6.61922655162496 3239574 CC1=CC(=C(C=C1)OC)NC(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C 1 3.131 5 3 0 -5.73104477679608 3239572 C1CCN(CC1)C2CCN(CC2)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.508 3 1 -1.22558656174096 3239571 C1CN(CC=C1N2C3=CC=CC=C3NC2=O)C(=O)NC4=CC(=CC=C4)F 1 2.056 4 2 -7.08657379425591 3239570 CCOC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.706 2 5 0 -17.7935350974374 3239565 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NCC3=CN=CC=C3)OC 1 2.13 3 4 0 -11.8616029789718 3239563 C1CC(=O)N(C1)CN(C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3 1 2.662 2 2 -13.3547897961348 3239562 COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=CS3 1 3.576 1 3 -3.71435676271756 3239560 C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC#N 1 3.401 4 2 -4.61054109353477 3239559 CCN1C(=S)C=CC2=C1C=C(C=C2)OC 1 3.309 1 1 2.65578352350655 3239558 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=NN4C=CC=CC4=C3 1 3.472 4 1 2.96568177194439 3239557 COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br 1 3.116 2 2 0.794602635579087 3239554 CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C(=O)N5CCC6(CC5)OCCO6 1 3.087 6 3 0 -10.6262646670475 3239553 COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3CC=CCC3C2=O)OC 1 1.614 2 5 0 -18.3188015243163 3239552 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)F)C 1 2.171 3 2 -14.3292641264087 3239550 C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=CC=C3)F 1 2.244 2 5 0 -17.0144226569215 3239548 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)OC)N(C(=O)C1=O)C 1 0.934 3 5 0 -3.77745405857617 3239547 CC1=C(C=NN1C)C(=O)NC2=CC=C(C=C2)C(=O)O 1 1.039 3 3 0 -6.40914948956202 3239546 C1=CC=C(C=C1)NC2=NC3=C(C(=O)S2)SC=C3 1 3.56 2 1 -10.5657061631823 3239545 CCOC(=O)C1=CC=CC=C1NC(=O)CN2C=C(N=N2)C(=O)OCC 1 1.485 4 5 0 -22.8592435617121 3239544 CCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CN=CC=C3)C(=O)OC)C 1 1.583 4 3 0 -27.2278093223163 3239543 C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)Cl 1 3.661 3 1 1.56932547307141 3239542 COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CN=CC=C3)NC1=O 1 0.28 4 4 0 -17.4262643609529 3239541 COC1=CC(=CC(=C1OC)OC)C2=NC(=NO2)CC3=CC=CC=C3Cl 1 3.795 2 4 -4.62834657863754 3239540 CC1=C(C(=NO1)C)S(=O)(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3 1 3.317 2 3 -8.15239852029273 3239539 CCOC(=O)N1CCC(CC1)C2=C(SC(=N2)C)C(=O)O 1 1.628 2 4 0 -7.78780716698818 3239538 C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN=CN3 1 0.115 3 4 0 -2.79248352524705 3239537 C1CCN(CC1)C2CCN(CC2)C(=O)NC3=CC=CC=C3C(F)(F)F 1 3.122 3 1 -3.48151541893762 3239536 CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCOCC4)C 1 2.459 4 4 0 -19.6454177265357 3239534 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CN4)C 1 1.446 5 3 0 -3.06620835735438 3239533 CCS(=O)(=O)N1CCCC(C1)C(=O)N2CCC3=CC=CC=C3C2 1 1.398 2 3 0 -22.8462101933641 3239532 CC(C(=O)N1CCCCC1)N2C(=O)C3=CC=CC=C3S2 1 2.248 2 2 -8.79436692387459 3239531 C1CCCN(CC1)CCNC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 2.149 3 2 -16.2270544858549 3239530 CN(CC(=O)NCC1=CC(=CC=C1)F)C(=O)C2=CC=CO2 1 1.488 2 3 0 -10.6732932472194 3239527 CC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C 1 0.895 2 5 0 -22.8913257127898 3239526 CCOC(=O)C(C)N1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)Cl 1 2.511 4 3 0 -6.03891706579645 3239524 C1=CN(C=C1)CCC(=O)NC2=NC=CS2 1 1.011 3 1 0 -8.40610332748328 3239523 CC1=CC2=CC=CC=C2C(=O)N1CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.005 3 2 -0.174909638278666 3239522 CCOC(=O)N1CCC(CC1)NC(=O)CN2C=C3CC(CCC3=N2)C 1 1.674 4 3 0 -13.864369741868 3239521 CC1=NC2=C(C(=NN2C(=C1)N3CCC4(CC3)OCCO4)C)C5=CC=CC=C5OC 1 2.936 4 3 0 -7.96570395224346 3239519 CCC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4 1 2.635 4 3 0 -9.38019665513928 3239517 COC1=CC=CC(=C1)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl 1 3.145 3 2 -2.00903525839263 3239516 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N(C=N3)C4CCCC4 1 2.576 4 3 0 -9.72862867580508 3239515 COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)OC)OC 1 2.334 2 4 -3.09107813255359 3239514 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(=O)OC)C#N 1 2.446 2 3 -29.9345827422736 3239512 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NCCC4=CC=CC=C4 1 2.8 5 2 0 -12.5508141985859 3239511 COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 2.058 2 4 -19.0018726887017 3239509 CC1=CC(=CC=C1)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)Cl 1 4.009 5 1 -3.99748558207462 3239508 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC3=NN(C(=C3)N)S(=O)(=O)C4=CC=C(C=C4)F 1 4.396 4 5 0 -9.33133782377908 3239506 CC1=NN2C(=C(SC2=N1)C(C3=CC=CC=C3)N4CCC(CC4)O)O 1 1.912 4 2 0 -3.76876618429639 3239504 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC(=CC=C4)OC 1 1.998 4 6 0 -16.8057637640658 3239503 CC(C(=O)NCCC1=CCCCC1)N2C(=O)C3=CC=CC=C3C2=O 1 2.733 2 3 -17.8547209989728 3239502 COC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)NCC4CCCO4)N=N2 1 0.67 6 4 0 -19.6390257319581 3239500 C1=CC2=C(C(N(C2=O)CC3=CC=CO3)O)N=C1 1 0.706 2 3 0 -4.01441984327137 3239499 CCC1=CC=CC=C1NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC(=C3C)C)N 1 3.154 6 2 0 -18.081392387306 3239498 CCOC1=NC(=NC(=N1)NC(C)(C)CO)NCCC2=CC(=C(C=C2)OC)OC 1 2.428 5 4 0 -8.04538147911436 3239497 C1CN(CCN1C2=NC=CC=N2)C(=O)CNS(=O)(=O)C3=CC=C(S3)Br 1 0.113 5 3 0 -7.33041733657426 3239496 CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CS(=O)CC(=O)N3CCC4(CC3)OCCO4 1 0.763 2 6 0 8.29073773470341 3239495 C1CC(OC1)CNC(=O)CCN2C(=O)C3C4CC(C3C2=O)C=C4 1 -0.223 2 4 0 -17.9382123786095 3239494 COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)COC3=CC=CC=C32)OC 1 2.005 2 5 0 -17.7367569888838 3239493 CC1=CC2=C(C=C1)OCC(=O)N2CCC(=O)N3CCC4(CC3)OCCO4 1 0.89 2 5 0 -13.2607266743914 3239492 C1CN(CCN1C2=CC=CC=C2F)C3=NC4=CC=CC=C4N5C3=NN=N5 1 2.152 7 0 0 -1.31714649521126 3239491 CC(=O)NC(C(=O)C1=CC=CO1)O 1 -9.7e-002 1 4 0 -6.61462173254293 3239489 C1CC2C(=O)N(C(N2C1)C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 4.025 2 1 -0.952871373596616 3239488 COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 2.326 3 6 0 -26.9055512808814 3239487 CCC1=CC=C(C=C1)NC(=O)N(CCCOC)C2CCN(CC2)C(=O)OCC 1 2.388 3 4 0 -7.36757040754439 3239482 CC(C)N1CCC(=CC1)C2=CNC3=CC=CC=C32 1 3.426 2 0 -2.70047997965483 3239481 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)NCCC4=CC=CC=C4 1 1.075 2 3 0 -10.5244696872423 3239479 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC(=O)OC)NCC3=CC=CO3)C 1 3.198 3 5 0 -18.5937012903539 3239477 CCC1=CC=C(C=C1)NC(=O)N(CCCN2CCOCC2)C(C)C3=CC4=C(O3)C(=CC=C4)OC 1 4.416 3 4 0 -2.11390286205937 3239476 CCC1=C(N=C2C(=CNN2C1=O)C#N)C 1 5.6e-002 4 1 0 -10.1819020009604 3239475 C1CS(=O)(=O)C2=CC=CC=C2N(C1=O)CC(=O)NCC3=CC=CC=C3 1 1.259 2 4 0 -13.8522261170701 3239474 CC1=C(N=C(O1)C2=CC=CC=C2Cl)CSCC(=O)NC3CC3 1 2.775 2 2 0.132306973606194 3239471 C1CCC2=C(CC1)ON=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 5.119 3 2 -17.0859483652043 3239470 CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3Cl)C(=O)O 1 3.956 3 4 0 -7.51392715256709 3239469 C1CN(CCC12OCCO2)C3=CC(=C4C5=C(C6=CC=CC=C6C4=O)ON=C35)NCCCC(=O)O 1 3.091 3 6 0 -10.2355782958411 3239467 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)NCCN3CCOCC3 1 1.54 3 4 0 -6.18983695681026 3239466 COCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC=C2 1 1.489 1 5 0 -16.5408395808043 3239465 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC=CC=C3 1 1.298 5 2 0 -11.0257463794866 3239464 CC1(CCC(=O)N1CC2=CN=CC=C2)C(=O)NC3CCCCCCC3 1 2.545 3 2 -9.73582037003293 3239462 CCCCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=CC=C2 1 2.29 3 2 -12.4985040497446 3239461 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)NCC4=CC=CC=N4 1 1.355 5 2 0 -17.9899928444078 3239459 C=CCN1C(=C(C(=N)S1)C#N)N 1 0.418 4 0 0 -5.36541189874804 3239458 C1COC2=C(O1)C=CC(=C2)NC3=CC(=O)N(C(=O)N3)CC4=CC=C(C=C4)F 1 2.835 3 4 0 -4.74475180079601 3239457 CC1=CC(=CC=C1)N2C(=NN=C2SC)CC3=CC(=O)NC(=O)N3 1 1.894 5 2 0 -10.9946623351141 3239455 CCCN1CCN(CC1)CCCNC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4 1 2.11 7 1 0 -8.8763717994986 3239452 CC(C(=O)OC)SC1=NC2=C(C(=O)N1C)NC3=CC=CC=C32 1 3.012 3 3 -11.1476202297128 3239451 C1CCC2NC3=CC=CC=C3C(=O)N2CC1 1 2.185 2 1 -6.10192338198456 3239450 C1=CC(=CN=C1)C2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)F)N)C#N 1 2.709 5 1 -6.31438845656003 3239447 C1=CC(=CC=C1C2=CC(=NC(=N2)N3C=NC=N3)C(F)(F)F)F 1 3.638 5 0 0.954415580015867 3239446 C1=CC=C2C(=C1)N(C(=O)S2)CC3=NN=C(N3C4=CC(=CC=C4)Cl)SCC(=O)N 1 3.629 5 2 0 -7.73880616312836 3239445 CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=C(C=C(C=C1)F)Cl 1 0.675 2 4 0 -15.7540338979882 3239444 COC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)COC2=CC=CC=C2)OC 1 2.182 1 6 0 -14.8860553220429 3239443 CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=O)NN2 1 0.404 3 3 0 -8.37549320662386 3239442 CCOC(=O)C1=C(C(=C(N1)C)CN(CCC2=CC=CC=C2)C(=O)CCC(=O)O)C 1 3.134 2 5 0 -17.6845955641441 3239441 COC1=CC=C(C=C1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.115 4 4 0 -1.54398093035861 3239440 C1CN(CCN1CCNC(=O)C2=CC=CN3C2=NC4=CC=CC=C4C3=O)C5=CC(=CC=C5)Cl 1 2.938 5 2 0 -8.80729111941402 3239439 CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 1 3.295 1 4 -12.0457692621306 3239438 CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)COC4=CC=CC=C4 1 2.999 6 3 0 -20.3002142394153 3239437 CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNS(=O)(=O)C)C 1 1.424 2 3 0 -8.5160341737553 3239436 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)O 1 0.486 1 5 0 -22.1174999759918 3239435 CC1=C(OC=N1)C(=O)NC2=CC(=CC=C2)Cl 1 1.75 2 2 0 -9.69521224608549 3239434 C1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=C(S2)Br 1 1.526 2 3 0 -12.2962576243213 3239433 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(NN=C3)C4=CC=C(C=C4)F 1 3.572 6 1 0 -5.95429251604294 3239431 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)C5CC5 1 1.569 4 4 0 -27.2598779308253 3239430 COC(=O)C1=C(CCS1)NC(=O)C2=CC=CS2 1 1.139 1 3 0 -6.08163641874105 3239429 CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SC)C 1 3.658 2 1 -16.4183595471622 3239428 COC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCCCC3)C(F)(F)F)OC 1 4.316 3 2 3.0034572518082 3239427 C1CCC(C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC(=CC=C4)F 1 4.167 2 2 -2.90949075909762 3239426 C1COCCN1C2=NC3=C(C=C(C=C3S2)F)F 1 2.096 2 1 2.52702872315861 3239425 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)O 1 3.521 1 5 -0.909211002045016 3239424 CCOC1=C(C=C(C=C1)C(=O)NC2=CN=CC=C2)Br 1 2.544 2 2 -6.22923165357487 3239423 CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCOCC4 1 2.196 3 4 0 -11.8122842618383 3239422 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCCO4)N(C(=O)C1=O)C 1 0.736 3 6 0 -8.12306396295001 3239421 CC1CC(=O)N(C2=CC=CC=C2N1C=O)CC3=CC=CC=C3 1 2.298 2 2 -3.87149514020629 3239420 CCN(CC)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F 1 2.615 5 2 0 -7.78428670281242 3239417 CC1CCCN(C1)C(C2=CC(=CC=C2)F)C3=C(N4C(=NC(=N4)C)S3)O 1 3.922 4 1 -1.77716184085081 3239415 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)N(C)C 1 0.913 4 2 0 -13.7488295490888 3239414 COC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CS3 1 2.927 1 5 -17.0732026998701 3239413 C1=CC(=CC=C1CC(C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)O 1 1.771 1 7 0 -10.9810925123616 3239411 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.287 4 4 0 -17.5427561050099 3239410 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)OC 1 2.718 3 4 0 -18.1072106541361 3239409 CCOC(=O)CCSCC(=O)NC1=NOC(=C1)C 1 0.874 2 4 0 -22.9912908259301 3239408 CC1(CC2(CCO1)C(CC(=O)O2)C(=O)NCCC3=CC=CC=C3)C 1 1.359 1 4 0 -14.5164382732519 3239407 CC1=NC2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)C(=O)N4CCOCC4 1 2.474 3 3 -6.24605051741566 3239405 CC1=C(C=C(C=C1)NC2C3=C(C=CC=N3)C(=O)N2C4CCCCC4)C 1 4.768 3 1 -5.7268021461847 3239404 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)N4CCCC5=CC=CC=C54)C 1 3.653 5 2 0 -10.0562559248097 3239403 COC1=CC(=C(C=C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)OC 1 3.006 2 5 0 -12.7869529116854 3239400 CCCCN(C)CCCNC(=O)C1CC(=O)N(C1)CC2=CC=C(C=C2)OC 1 1.83 3 3 0 -17.1395377557306 3239399 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NCCOC 1 1.976 1 5 0 -15.6448299415682 3239398 CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)(=O)CC(=O)NCCC3=C(C=CC(=C3)OC)OC 1 2.963 2 6 0 -1.11451226393799 3239397 CC1CCN(CC1)C2=NC3=C(C=C(C=C3)N4C(=O)CCC4=O)C(=C2)C 1 2.913 3 2 -6.32590635790544 3239396 CN(C)C(=O)N1CCC(CC1)C(=O)NCC2=CC=CS2 1 0.785 3 2 0 -16.3576682271048 3239395 CC1(CCC(=O)N1CC2=CC=CS2)C(=O)NC3CCCC3 1 2.067 2 2 -9.81049130185303 3239394 CC(C1=NC2=CC=CC=C2N1C)NC(=O)C(C)(C)C 1 2.902 3 1 -10.187986685965 3239393 CC1=CC=C(C=C1)CN2C(CCC2=O)C(=O)NCC3=CC=CO3 1 1.865 2 3 0 -13.9132802818599 3239392 CS(=O)(=O)N1CCCC(C1)C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3 1 0.927 4 3 0 -15.8939066898235 3239390 COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)NCCN5CCOCC5 1 3.497 3 4 0 -10.4316721349853 3239389 CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SCC(=O)NCC4=CC=CC=C4 1 4.058 4 3 0 -21.8388194486658 3239388 CC1=CC=CC=C1C(=O)C2=CC=CN2CC(=O)N3CCCCCC3 1 3.95 2 2 -11.6690844850073 3239387 CCC(C)N1CC(CC1=O)C(=O)NC2CCCCC2 1 1.841 2 2 0 -10.1292280613471 3239385 CCC(C)NC(=O)C1CCN(CC1)C(=O)N(C)C 1 0.711 3 2 0 -16.2801602898883 3239384 C1COCCN1CCNC(CC(=O)NC2=CC(=CC=C2)Cl)C(=O)O 1 -2.259 3 4 0 -9.34619639757417 3239382 COC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)NCC=C 1 1.883 2 4 0 -21.3677170704928 3239380 CCOC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)NC4CCCC4 1 2.655 4 5 0 -18.5750401288301 3239378 C1CC(OC1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3 1 -0.165 3 4 0 -24.9680477145761 3239376 CC1=C(C=C(C=C1)NC(=O)C2=C(N=C(O2)C)C)F 1 2.038 2 2 -2.54320365786026 3239374 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=N4 1 1.288 4 4 0 -20.5892895089772 3239373 CC(C)CCN1CC(CC1=O)C(=O)NCC2=CC=CC=C2 1 1.897 2 2 0 -18.2605670191038 3239370 CCOC(=O)CC(=O)CSC1=NC(=O)C2=C(N1)N(C(=S)S2)C3=CC=CC=C3 1 4.177 3 4 0 -15.9527224849264 3239369 C1CCC(CC1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CS3 1 2.143 4 3 0 -26.1239644282328 3239368 COC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NCC3=CC=CC=N3 1 0.948 3 3 0 -17.1569123921263 3239367 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCCC3=CC=CC=C3 1 1.626 5 2 0 -15.5715365681339 3239365 CCN(CC)CCNC(=O)CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)C 1 0.899 5 3 0 -27.7612340619186 3239364 C1CN(CCN1C2=CC=CC=C2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br 1 3.247 2 3 -9.35765696056125 3239362 CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)N3CCN(CC3)C(=O)C4=CC=CO4 1 4.133 3 3 -10.7213704377987 3239361 CC1=CC(=C(C=C1)C)CN2CCCNC2=O 1 2.012 2 1 -9.35513859650319 3239360 CCN(CC)S(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)C(=O)OCC 1 -0.247 4 5 0 -17.2322690308708 3239359 C1=CC=C(C=C1)C(=O)C2=CC=CN2CC(=O)NCC3=CC=CS3 1 3.208 2 2 -16.8295022979175 3239358 C1=CC=C2C(=C1)C(=O)N(C=N2)NC(=O)C3=CC=CC=C3Cl 1 2.454 3 2 -6.48455991871605 3239356 CC(C)NC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=N4 1 2.621 5 1 -8.11243117503336 3239355 COC1=CC(=C(C=C1)OC)CNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O 1 2.838 2 5 0 -11.7014168148849 3239353 CC1(OC(=O)C(=CNC(CCSC)C(=O)O)C(=O)O1)C 1 -0.334 1 6 0 -16.9877278729209 3239352 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CC=C 1 2.17 4 4 0 -13.8765190235047 3239349 CCOC(=O)C1CCN(CC1)C(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.182 3 5 0 -22.5077352958782 3239346 C1C(=O)N(C(S1)C2=CC=CC=N2)C3=CC(=CC=C3)Cl 1 3.187 2 1 -6.83483195454883 3239345 C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)N4CCCCC4 1 2.978 4 2 -14.9417511198668 3239343 CC(CCC1=CC=CC=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC4=C(N3C)C=CS4 1 4.541 3 2 -8.26558175736317 3239340 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4CCCO4 1 1.44 3 5 0 -22.3876501428926 3239339 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)N3CCCC3 1 -0.483 4 5 0 -13.526075540876 3239338 CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NCC3CCCO3)C4=CC=C(C=C4)OC)N 1 1.56 6 3 0 -20.6587772597869 3239337 CC(C)CNC(=O)C1=NOC(=C1)C2=CC(=C(C=C2)Cl)Cl 1 4.251 2 2 -5.02593082310736 3239336 C1CCC(C1)N2CC(CC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.486 2 4 0 -17.1592169440844 3239335 CC(C)OCCCNC(=O)CN1CCN(C1=O)CC2=CC=CC=C2Cl 1 1.565 3 3 0 -19.4348536683227 3239334 CC1CCCN(C1)CCCNC(=O)C2=COC3=NC4=CC=CC=C4N=C23 1 2.871 4 2 -8.30271312392531 3239333 CC1CCC2=C(C1)SC3=C2C(=O)N(N=N3)CC=C 1 3.87 3 1 -21.9123231819507 3239332 CCN1C(=C(C=N1)Br)C(=O)NC2=C(C=CC(=C2)C)F 1 3.344 3 1 -4.23584951873727 3239331 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC=C(C=C3)N4CCCC4=O 1 3.318 3 2 -17.5712111408748 3239330 CC(C)CN(CC(C)C)S(=O)(=O)C1=CC2=C(C=C1)N(CCC2)C(=O)C 1 3.187 2 3 -18.4589239390396 3239329 CC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N(C)CC4=CC=CO4 1 2.326 3 5 0 -13.8890181107908 3239326 COC1=CC=CC(=C1)CN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S 1 3.559 3 3 -2.80221363592619 3239325 COC1=CC=CC=C1CNC(=O)CNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.643 4 4 0 -21.3958070653766 3239324 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CCCC2 1 1.937 2 3 0 -13.6320773541782 3239322 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)NCCC3=CC=CC=C3 1 1.354 3 4 0 -25.2963034118762 3239321 COC1=CC=CC=C1NC(=O)CC(C(=O)O)NCC2=CC=CC=C2 1 -0.852 2 4 0 -12.8954196196441 3239320 CN(CCCNC(=O)C1=CC=C(C=C1)N2CCCC2=O)C3=CC=CC=C3 1 2.492 3 2 -17.5459466278456 3239319 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCCC4=CCCCC4 1 3.251 2 5 0 -15.2472548214831 3239318 CC1=C(C(=O)N(C(=O)C1=NC2=CC=C(C=C2)N(C)C)CCCO)C#N 1 1.495 4 3 0 -2.15393379070006 3239316 COCCNC1=NC(=S)NC2=CC(=C(C=C21)OC)OC 1 2.033 3 3 -8.88838610764101 3239315 CC1=CC(=C(C=C1)C)NC(=O)C2CC(CN2C(=O)OC(C)(C)C)O 1 2.268 2 4 -7.96807646746299 3239313 CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)CC3=C(OC(=N3)C4=CC=C(C=C4)Cl)C 1 3.448 3 4 0 9.13816941479748 3239311 CC1=CC(=O)OC(=C1C(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)F)C 1 2.487 3 3 -6.6311382432594 3239309 CCCCOC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 1 3.423 1 3 -9.27857563749194 3239308 C1CCCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 1.02 3 5 0 -16.6186580930533 3239307 CCC(C)(C(=O)NC1CCCCC1)N(C2=CC=C(C=C2)C)C(=O)C3CCC(=O)N3 1 3.33 3 3 -21.8236389385315 3239305 COC1=NC2=C(S1)C(=O)NCCC2 1 0.848 2 2 0 -7.68832697268794 3239304 CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C 1 2.978 3 1 -2.98202010123645 3239303 CC1(CC(=O)N(C2=CC=CC=C2S1(=O)=O)CC(=O)NCCCN(C)C3CCCCC3)C 1 2.318 3 4 0 -17.408275121152 3239302 CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 2.064 4 4 0 -8.28839643179105 3239301 C1CN(CCC12OCCO2)C(=O)C3=CC4=C(O3)N=C5C=C(C=CC5=C4)Cl 1 2.953 2 4 -0.963085756027325 3239299 CN(C)C(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)N(C)C 1 2.218 2 3 -3.33380969433181 3239298 CC1=CC(=NC2=C3C(=NC(=NC3=NN12)N4CCCC4)C5=CC=C(C=C5)OC)C 1 2.876 6 1 0 -1.55771971719849 3239297 COC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2=CC=C(C=C2)OC 1 2.713 1 5 -8.7118495974424 3239295 CC(C)(C)C(=O)NC(=C(Cl)Cl)P(=O)(O)O 1 1.59 1 4 0 -8.97200942999438 3239294 CC1=CC=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4 1 1.787 3 5 0 -13.0609387510547 3239293 CN(C)C=NC1=C2C=NN(C2=NC=N1)C3=NC=C(C=C3)C(F)(F)F 1 2.054 7 0 0 4.97476477983514 3239292 CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 3.933 5 2 0 14.5932929552247 3239291 C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3C(=O)O)C(=O)O 1 3.554 2 4 -2.45825114232564 3239289 C1CC1C(=O)N2CCC3=CC(=CC(=C32)S(=O)(=O)NCC4=CC=CC=N4)Br 1 2.296 3 3 -14.9210671338682 3239288 CCC(C(=O)O)SC1=NN2C(=NN=C2C3=CC=C(C=C3)F)C=C1 1 3.554 4 2 -8.25211714634917 3239285 C1CCC(C1)N2CC(CC2=O)C(=O)NCCN3CCN(CC3)C4=CC=CC=C4F 1 2.108 4 2 -12.2341282962685 3239284 COC1=C(C=C(C=C1)C(=O)N2CC(=O)N(C(=O)C2)CCC3=CC=CC=C3)OC 1 1.851 2 5 0 -12.8716495968877 3239283 C1CCN(CC1)C2=NC3=C(S2)C=CC=C3Cl 1 3.579 2 0 2.34400927181736 3239282 CC1(C(N(C(=O)O1)CC2=CC=CO2)(C)O)C 1 0.988 1 4 0 -2.08221616909391 3239281 CCC1=NN=C(S1)NC(=O)C(C)N2C(=O)C3C4CC(C3C2=O)C=C4 1 0.632 4 3 0 -15.0532862738848 3239278 C1=CC(=CC(=C1)F)C2=NN=C3N2N=C(C=C3)SCC(=O)NCC4=CC=CO4 1 2.889 5 2 0 -12.8765804123057 3239277 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=N3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5 1 2.037 5 3 0 -15.1639107350034 3239276 CC1CCCCN1CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 1.89 3 4 0 -7.29202537656316 3239273 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54 1 2.94 5 4 0 -9.85663241886929 3239272 C1=CC(=CC=C1CNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=C(C=C3)F)F 1 3.622 1 4 -10.217933918961 3239271 CCN(CCCNC(=O)C1=CC=C(C=C1)N2CCCC2=O)C3=CC=CC(=C3)C 1 3.328 3 2 -18.1115384724079 3239268 CCC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N 1 3.714 5 2 0 -13.0743831386315 3239267 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4=CC=CO4 1 -4.9e-002 3 6 0 -28.8613907777478 3239266 CCN1C=C(C(=N1)C)C2NC3=CC=CC=C3C(=O)N2O 1 1.742 4 2 0 -7.74932662826656 3239265 CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4 1 3.096 4 3 0 -29.3833903865348 3239262 C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C(=O)N4 1 0.708 4 4 0 -18.7430116189634 3239261 CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC4=C(N3C)C=CS4 1 3.529 2 3 -7.038636117448 3239257 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=NS2)C3=CC(=CC=C3)C 1 2.822 4 3 0 -5.27293890689581 3239256 C1CN(CCN1C2=NN3C=NN=C3C=C2)C(=O)NC4=CC=CC=C4C(F)(F)F 1 1.971 7 1 0 -6.2962455071195 3239254 CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CO3)C(=O)OCC4CCCO4 1 2.775 1 5 -19.0968229364071 3239253 CCN1C(=O)CSC2=C1C=C(C=C2)C(=O)NC3CCCCC3 1 2.799 2 2 -12.9219834614176 3239252 CC1=C(C=C(C=C1)C2=CN3C=CC=NC3=N2)NC(=O)C4=CC=C(O4)Br 1 3.366 4 2 -4.79853081607944 3239251 COCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CN=CC=C3 1 0.5 3 3 0 -11.4205219352987 3239250 CC1CC2=C(C(CC(=O)N2)C3=CC(=C(C=C3)O)OC)C(=O)C1C(=O)OC 1 1.375 1 6 0 -12.6861281652484 3239248 C1CCCC(CC1)NC(=O)CCS(=O)(=O)C2=CC=CS2 1 2.765 1 3 -16.333282540347 3239247 CCS(=O)(=O)NCC(C1=CN=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)F 1 1.948 4 2 0 -11.9113021499059 3239246 CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)N4CCCCCC4 1 2.432 5 2 0 -10.1241415353433 3239241 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CS4 1 2.109 3 5 0 -16.4063240570951 3239240 CC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NON=C32 1 0.935 4 5 0 -15.6752863603104 3239239 CCCN(C(=O)CC1=NC(=NN1)N)C2(CCCCC2)C(=O)NC3=C(C=CC=C3C)C 1 3.629 6 2 0 -15.210478758173 3239238 CC1=CC=C(C=C1)CCNC(=O)CN2C(=O)COC3=CC=CC=C32 1 2.276 2 3 -10.7695377180824 3239237 C1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)NCC4=CC=CO4 1 2.684 5 2 0 -16.1273017477674 3239236 COC(=O)C1C(C(=C(NC1=O)SC)C#N)C2=CC=CC=C2F 1 2.082 2 3 -16.2250268391162 3239235 CC1=CC(=CC=C1)NC(=O)NCC(C2=CN=CC=C2)N3CCOCC3 1 1.72 4 2 0 -14.0619340791147 3239234 CC1CCCN(C1)C(=O)C2=CN(C(=O)C3=C2C4=CC=CC=C4N3C)CCOC 1 2.203 3 3 -9.91259711709242 3239233 CCN(CC)CCN1C(=O)C2=CC3=C(C=C2NC1=S)OCO3 1 2.746 3 3 -3.70527178074363 3239232 COC1=CC2=C(C=C1)N=C(S2)NC3=CC4=C(C=C3)OCO4 1 3.12 2 3 0.423184200383854 3239231 CCN1C(=C(C=N1)C2=NOC(C2)C(=O)NC3=CN(N=C3)C45CC6CC(C4)CC(C6)C5)C 1 2.319 6 2 0 -6.69328582340717 3239229 CCC1=NN(C(=O)C2=CC3=C(N21)C=CS3)CC(=O)NCCCN(CC4=CC=CC=C4)C(C)C 1 4.065 5 2 0 -12.2907662626555 3239228 CCNC(=O)CC1C(=O)N(C(=O)N1CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC 1 2.171 3 5 0 -19.3162934839583 3239226 C1=CC=C2C(=C1)C3=C(N2CC4=CC=C(C=C4)F)C(=O)NN=C3 1 3.433 3 1 -6.29018631647728 3239225 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.157 2 4 -10.6851663271272 3239223 CC1=CC=C(O1)CNC(=O)C2C3C4=CC=CC=C4CCN3C(=O)C5=CC=CC=C25 1 2.814 2 3 -10.2383334222636 3239221 CCC1CCCCN1CCNC(=O)CNS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C 1 2.102 4 3 0 -15.32658125798 3239217 COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.25 3 5 0 -9.88283887616691 3239215 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CC1=C(C(=CC=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=CC=C4OC)C 1 3.423 3 4 0 -8.71540713683758 3239029 CCOC(=O)COC1=CC2=C(C=C1)OC(CC2=O)(C)C 1 2.109 0 5 -14.4979886828069 3239028 CC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=CC(=C(C=C3)C)C)N 1 2.698 6 2 0 -17.5426990742402 3239026 CC1CCN(CC1)C2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N 1 2.211 4 1 -8.77556852949771 3239025 CCOC(=O)C1CCCN(C1)C(=O)CCCOC2=CC(=O)N(C3=CC=CC=C32)C 1 1.792 2 5 0 -13.1146499122975 3239024 CCOC(=O)CNC(=O)CN1C=NC2=C(C1=O)N=NN2C3=CC=C(C=C3)F 1 0.589 6 4 0 -18.2406319855859 3239023 C1COC2(O1)C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=C(C=C4)F 1 2.186 1 4 -9.25221378634505 3239022 CCCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2C3CC3)C4CCCCC4)OC 1 3.438 2 4 -12.8915365353392 3239020 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCCC4 1 2.523 3 4 0 -25.7745222771072 3239018 COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)N3CCCCC3)C4=CC=C(C=C4)F 1 3.69 2 3 -8.57490972010976 3239016 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4CC=C(CC4C3=O)Cl)C 1 2.04 4 4 0 -9.38801070397704 3239014 COC1=CC(=CC(=C1OC)OC)C2=NOC(C2)C(=O)N3CCCCCC3 1 2.335 2 5 0 -12.7302477976214 3239013 CC1CCCCN1CCCNC(=O)NC2=CC=C(C=C2)OC 1 2.425 3 2 -9.93659578395299 3239010 C1=CC=C(C(=C1)C(=O)O)NCC2=CC=NC=C2 1 1.701 2 2 0 -1.9714039097089 3239009 CC1=CC(=NC(=N1)SCC(=O)N)OC 1 0.773 3 2 0 -13.1832785495895 3239008 COC1=CC=CC2=C1OC(=O)C(=C2)C3=NC(=CS3)C4=CC=CS4 1 4.124 1 3 3.21961027545236 3239007 CCCCN(C(=O)NC(=O)NC1=CC=CC=C1C)S(=O)(=O)C 1 2.321 3 4 0 -1.03511819250744 3239006 CCOC(=O)N1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 0.504 3 5 0 -19.4293582845545 3239005 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CC3=CC=CS3 1 3.402 1 4 -4.52096111251405 3239004 CN1C2=CC=CC=C2SC1=NC(=O)CSCC(=O)N3CCCCC3 1 2.812 3 2 -11.5311487198272 3239003 CN(C)C1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4)S2 1 4.028 4 1 -7.93829350233153 3239002 CC1=C(NC2=C1C(=O)CC(C2)C3=CC(=C(C=C3)OC)OC)C(=O)OC(C)C 1 3.925 1 5 -17.0451504143264 3239001 C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OC(=O)N4CCOCC4)C(=O)C1 1 1.509 3 5 0 -22.5097361631612 3239000 CN1C=C(N=C1)S(=O)(=O)NC2=CC=C(C=C2)C(F)(F)F 1 1.892 3 2 0 1.94387837991291 3238998 CC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C(=O)OC)C(=O)OCCOC 1 0.135 2 7 0 -12.6474945937215 3238997 C1=CC=C(C=C1)C(=O)C2=CC=CN2CC(=O)NCC3=CC=CO3 1 2.65 2 3 -16.1347371302829 3238996 CN(CC(=O)NCCN1CCCCCC1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 1.646 5 3 0 -13.2668537020569 3238995 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCC2CCCO2)C 1 1.617 2 4 0 -17.6246041400236 3238994 C1=CN(C=C1)CC(=O)NC2=C(C=C(C=C2)F)F 1 2.177 2 1 -3.98088160636133 3238993 C=CCNC(=O)C1=NOC(=C1)C2=CC=C(C=C2)Br 1 3.095 2 2 -8.90518719745447 3238992 C1CN(CCC12OCCO2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F 1 0.319 2 6 0 -23.3654746295069 3238991 C1CN(CCN1CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl 1 3.637 2 3 0.376996121319413 3238990 C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CN3C=N2 1 0.779 4 2 0 -10.0840531256034 3238989 CCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CN2 1 -3.3e-002 4 3 0 -15.4216124554353 3238988 C1C(OC(ON1C(=O)C2=CC=CC=C2)C3=CN=CC=C3)COC4=CC=CC=C4 1 3.071 2 4 -4.19490897942792 3238986 COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=NOC(=N3)C4=CC(=CC=C4)OC 1 3.931 3 4 0 2.65574521141797 3238985 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4 1 1.557 6 2 0 -8.53760855067303 3238984 CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N3CCN(CC3)CC4=CC=CC=C4 1 0.205 3 3 0 -5.83935229539931 3238983 CC1=CC=C(N1CCN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C 1 0.858 5 3 0 -13.6155114312339 3238982 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35 1 3.781 3 2 -7.80774577422381 3238981 COC1=C(C=C(C=C1)CCNC(=O)CC2C(=O)NC3=CC=CC=C3N2)OC 1 1.76 3 4 0 -25.2847565526953 3238979 C1CC2=CC=CC=C2N(C1)C(=O)C3=NOC4=C3CCC5=CC=CC=C54 1 4.644 2 2 -8.31381376161715 3238978 CC1=CC=C(C=C1)N(C(C)C(=O)O)S(=O)(=O)C2=C(NN=C2C)C 1 1.847 3 4 0 -7.52744477510682 3238977 CCOC1=CC(=C(C=C1)OCC)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)OCC 1 2.754 2 8 0 -10.9505228250256 3238976 CN(C1=CC=CC=C1)C(=O)CSC2=C(C=CC=N2)C(=O)O 1 2.232 2 3 -13.3393059009768 3238975 CCCCSCCCNC(=O)NC1=CC(=CC=C1)OC 1 2.934 2 2 -10.705673579962 3238974 CC1=NN2C(=N1)C3=CC=CC=C3N=C2SCC(=O)NCCOC 1 1.281 5 2 0 -18.3284159190471 3238973 C1=CC=C(C(=C1)C(=O)NC2=NNC(=S)S2)C(=O)O 1 2.511 3 3 -10.9505402312101 3238971 CN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=C(S2)Br 1 1.94 2 3 0 -9.8144897136206 3238970 CCC(C(=O)N1CCOCC1)SC2=C(C=CC=N2)C(=O)OCC 1 1.925 2 4 0 -17.7013511852047 3238968 C1CCC(CC1)OC(=O)NCN2C(=O)C3C4CC(C3C2=O)C=C4 1 1.786 2 4 0 -7.36040307462619 3238967 CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)N(C)CC3=CC=CC=C3 1 1.355 3 3 0 -16.6706588302774 3238965 CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3CCCO3)C4=CNC5=CC=CC=C54 1 2.481 3 3 -11.7588881596922 3238964 C1CN(C2=CC=CC=C21)C(=O)CCS(=O)(=O)C3=CC=C(S3)Br 1 2.875 1 3 -16.1877498895717 3238961 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3OC)CNC(=O)C4=CC=CO4 1 4.032 5 4 0 -24.8845543820121 3238960 C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)F)C3=CC=CC=N3 1 2.428 4 1 -0.317056955657462 3238959 C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)N=NN4CC5=CC=C(C=C5)F 1 2.376 7 2 0 -11.7879972586101 3238958 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=CC=CO2 1 1.857 1 5 0 -15.8435328777679 3238957 C1CS(=O)(=O)CC1CC(=O)NC2=CC=CNC2=O 1 -1.557 2 4 0 -18.7753138729119 3238955 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCN3CCCCCC3 1 2.625 3 3 -19.5769881610789 3238954 CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C)CC3=CC(=O)NC(=O)N3 1 2.466 5 3 0 -15.2709957531961 3238953 CCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=NC=C2 1 3.879 1 3 -6.95541741564543 3238952 C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)C3=CC=CO3 1 2.839 3 3 -3.24213134748877 3238951 CC1=CC=CC=C1CN2C3=CC=CC=C3C4(C2=O)OCCCO4 1 2.857 1 3 -7.37365338162119 3238950 C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=NN5C=CC=NC5=N4 1 2.025 5 1 -6.32134946542995 3238949 CC1=CC=C(C=C1)CSC2=NCCN2C(=O)C3CC3 1 3.471 2 1 -13.8185516981906 3238948 C1CCC2=C(C1)C(=NO2)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.05 3 2 -9.15935588707507 3238947 C1CN(C2=CC=CC=C21)C(=O)CCN3C4=CC=CC=C4OC3=O 1 2.711 2 3 -12.324638017903 3238946 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NCC3=CC=C(C=C3)Cl)OC 1 3.945 2 4 -7.51671488797572 3238945 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N(CC)CC 1 1.32 2 4 0 -12.3837127064157 3238944 CC1=CC(=CC=C1)NC2=NN3C(=O)C4=CC=CC=C4N=C3S2 1 4.135 4 1 -5.26898668573706 3238943 CC1=CC=CC(=C1)C2N(C(CS2)C(=O)O)C(=O)C 1 1.898 1 3 0 -8.03751920010396 3238942 CC1=CC(=C(C=C1)C)NC(=O)C2=C(N(N=N2)CC3=CC=CC=C3C)N 1 3.645 5 1 -16.5443891970828 3238941 C1COC2=C(O1)C=CC(=C2)NC3=C(N=C4N3C=CN=C4)C5=CC=CC=C5 1 3.241 4 2 -0.860608133232635 3238939 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NC3=CSC(=N3)N 1 0.871 7 1 0 -16.9488262228102 3238938 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC(C)N3C(=O)C4C5CC(C4C3=O)C=C5 1 0.128 5 4 0 -15.293261243289 3238936 COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCOCC3)OC 1 0.201 3 6 0 -21.5381842300652 3238935 C1=COC(=C1)CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)F 1 2.701 2 3 -6.80723328382941 3238933 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)NC5=CC(=CC=C5)F 1 3.967 2 5 0 1.0165614066271 3238932 COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)NCCCN4C=CN=C4 1 2.119 4 3 0 -6.60433691309195 3238931 CCN(CC)CCNC(=O)C1C2C3=CC=CC=C3CCN2C(=O)C4=CC(=C(C=C14)OC)OC 1 2.707 3 4 0 -14.1364774712154 3238928 CC1=C(OC2=C1C3=C(C=C2)OC(CC3=O)(C)C)C(=O)NCC4CCCO4 1 2.718 1 5 -10.563224448201 3238925 CSC1=CC=CC=C1NC(=O)C2=NOC3=C2CCC3 1 2.966 2 2 -16.5430018558331 3238924 CC1CCN(CC1)CCN2C(=O)C3=C(NC2=S)N=CC=C3 1 2.838 4 1 -7.20528053299774 3238923 CC1=CC=CC=C1NP(=O)(C)NC2=CC=CC=C2C 1 2.699 2 1 0.611972121610282 3238922 CCC(C)NC(=O)CC(C1=CC=CO1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.864 2 4 -21.5213051370342 3238921 CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2C(=O)C 1 3.335 2 3 -3.64079013940938 3238920 C1CCC2=C(C1)N(C3=CC(=C(C=C3[N+]2=O)N4CCCC4)F)[O-] 1 2.793 3 2 -4.6842779257248 3238919 CC1CCC(CC1)C(=O)NC(CCSC)C(=O)NCCN2CCOCC2 1 1.449 3 3 0 -25.7753420444293 3238918 COC(=O)CNC(=O)CN1C=CC2=CC=CC=C2C1=O 1 -0.301 2 4 0 -17.4437669844456 3238917 CC1=CC=C(C=C1)CN2C(=NC3=C2C(=O)NC(=O)N3C)CN4CCOCC4 1 1.718 5 3 0 -8.06741635899538 3238916 C1CCC2=C(C1)C3=C(S2)N=C4CCC(=O)NN4C3=O 1 1.423 3 2 0 -15.7055087175636 3238914 C1CCC(=CC1)CCNC(=O)CN2C(=O)CSC3=CC=CC=C32 1 2.771 2 2 -16.815737493558 3238913 CC1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CC=C3Cl)N)C 1 3.823 5 1 -13.2592939522161 3238912 CCN1C=CC(=N1)C(=O)NC2=CC=C(C=C2)N(C)C(=O)C 1 1.368 4 2 0 -12.623278506881 3238911 C1CCC2=C(C1)C(=CC(=O)N2)C3=CC=CC=C3 1 2.723 1 1 -7.82898205621091 3238910 CC1=C(C2=CC=CC=C2N1)C(C(=O)OC)(C(F)(F)F)NS(=O)(=O)C 1 1.999 2 4 0 -6.00282658047119 3238909 CC12CC(C(C(=O)N1C)C(=O)NC3=CC=C(C=C3)OC)C4=CC=CC=C4O2 1 2.002 2 4 -8.00577507433053 3238908 C1COCCN1CCN2CN(C(=S)SC2)CC3=CC=CC=C3 1 3.536 3 1 -7.47990177196643 3238907 CCC1=C(SC(=C1C#N)NC(=O)C2=NOC(=C2)C3=C(C=CC(=C3)OC)OC)C 1 4.027 3 4 0 -13.9328410929027 3238906 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN=C2SC 1 3.305 2 4 -13.2934677568589 3238905 CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)O)OC)C)C3=CC=CC=C3 1 2.596 2 5 0 -13.4947419357537 3238904 COC1=C(C=C(C=C1)C(=O)OCCNC2=NS(=O)(=O)C3=CC=CC=C32)OC 1 2.091 2 6 0 -14.3326836886046 3238902 C1=CC=C(C=C1)C(=O)OCC(CO)OC(CO)N2C=CC(=O)NC2=O 1 -0.284 2 7 0 -11.916725706248 3238900 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NCC3=CC=CO3 1 1.503 3 3 0 -22.4006644146602 3238899 CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)O 1 3.956 3 4 0 -2.84903733800649 3238897 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 -9.e-003 4 6 0 -16.439230897819 3238894 CCCS(=O)(=O)N1CCC(CC1)C(=O)NC2CCCCC2C 1 2.1 2 3 -23.9942470263409 3238893 C1CCC2=C(C1)C3=C(S2)N=C4C(=CC=CN4C3=O)C(=O)N5CCN(CC5)C(=O)C6=CC=CO6 1 2.157 4 4 0 -20.9000168144758 3238891 CC1=CC(=CC=C1)NC(=O)CCN2C=CN=C2C 1 1.554 3 1 0 -4.43055805398049 3238890 C1=CC=C(C(=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NCC4=CC=CO4)Br 1 2.955 5 3 0 -25.6106498861432 3238888 CC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)NCC4CCCO4)N=N2 1 2.623 6 2 0 -19.9692704934915 3238887 CC(C)C1=CC(=NO1)C(=O)NCC2=CN=CC=C2 1 1.628 3 2 0 -15.9898049821557 3238886 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCC2=CC=CC=N2 1 1.805 2 3 0 -17.0128597074861 3238885 COC1=CC(=C(C=C1)OC)NC(=O)C2=CN=C3C=CC=CN3C2=O 1 0.473 3 4 0 -13.9564490023855 3238884 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)F)C(=O)N(C1=O)C 1 1.669 3 4 0 -9.88238214338705 3238883 CCCCN1C(C2=CC=CC=C2C1=O)C(=O)NC3CCCC3 1 2.923 2 2 -12.2299025552683 3238882 CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC=CS3 1 0.208 5 3 0 -12.2148727675817 3238881 CCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)N 1 1.645 4 2 0 0.981630629772766 3238880 C1=COC(=C1)CNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=C(C=C3)Cl 1 3.057 1 5 -9.80566574726316 3238879 CC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CN=CC=C4 1 2.99 5 1 -7.02626548202529 3238876 CCC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C 1 2.163 3 4 0 -11.1227644667298 3238875 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 2.006 2 3 -22.4326338003076 3238874 COC1=CC(=C(C=C1)OC)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CO4 1 2.67 3 4 0 -6.70730829411554 3238873 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(C)C(=O)N4CCC5=CC=CC=C5C4 1 3.345 4 3 0 -13.2036420829509 3238872 C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3C(=N2)SCC(=O)NCC5=CC=CO5 1 3.932 4 2 -20.8571557090614 3238871 C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Cl 1 3.213 4 2 -0.238468590849543 3238870 CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)N2CCC(CC2)N3CCCCC3 1 3.372 3 2 -18.3021588556387 3238869 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=NON=C32 1 0.725 4 5 0 -15.1840375729002 3238867 COC(=O)C1=CC2=C(N1CC3=CC=CC=N3)C4=CC=CC=C4O2 1 3.719 2 3 -4.08051552471062 3238866 CC1=CC(=NO1)NC(=O)C2=CN=C3C=CC=CN3C2=O 1 -0.356 4 3 0 -20.3594087928 3238865 CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)F)C(=O)OCC=C 1 2.437 2 3 -15.2789697669625 3238864 CCS(=O)(=O)N1CCCC(C1)C(=O)NC2CCCCC2C 1 1.712 2 3 0 -21.8000364121603 3238863 C1=CC=C2C(=C1)C3=NC(C(=O)N3C(=N2)SCC4=CC=C(C=C4)Cl)CC(=O)NCC5=CC=CO5 1 4.423 4 3 0 -24.7659652285391 3238862 CC1=C(C(N2C(=O)CCSC2=N1)C3=C(C=CC(=C3)Br)OC)C(=O)OCCOC 1 3.056 2 5 0 -26.1878901988659 3238861 CCOC(=O)C(C)SC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F 1 3.464 5 2 0 -9.32282677716251 3238860 CCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC=CC=C4F)C 1 3.887 5 1 -7.88038536789639 3238859 COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)C4=CC=CC=C4)N=N2 1 3.958 5 2 0 -7.44547869685863 3238858 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N(C)C3=C(C=CC(=C3)Cl)OC 1 3.821 3 3 -3.23661095323074 3238857 CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)COC3=C2C=C(C=C3)C 1 1.034 3 5 0 -11.2626357892547 3238856 CCOC1=CC=CC=C1C2N3CCCC3C(=O)N2C4=CC=C(C=C4)F 1 3.898 2 2 -5.21348033518346 3238854 CCC(=O)NC(C)C1=NC2=CC=CC=C2N1C 1 2.023 3 1 -6.9058620709014 3238852 CCCOC1=CC=C(C=C1)C(=O)NCCCN2C=CN=C2 1 1.698 3 2 0 -6.41139651671783 3238851 CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCC3=CC=CC=C3C2 1 2.658 2 2 -12.4599391060163 3238850 COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=O)C3CCCCC3 1 2.754 2 4 -13.3243638210827 3238849 C1CNC(C2=CC=CC=C21)CNC=C3C(=O)CC(CC3=O)C4=CC=CO4 1 1.469 2 3 0 -20.1315756069502 3238847 C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NCC3=CN=CC=C3 1 0.566 3 3 0 -16.5375131901704 3238846 CCOC(=O)N1CCN(CC1)C(=O)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=O 1 2.004 4 5 0 -14.5203285567779 3238844 COC1=CC=C(C=C1)CN2C(=NC3=C2N=CC=C3)CCC(=O)NC4=CC=C(C=C4)CC#N 1 3.341 5 2 0 -12.5734174671188 3238843 CC1=C(OC(=N1)C)C(=O)NC2=C(C=CC(=C2)Cl)OC 1 1.994 2 3 0 -4.38919398268997 3238842 CC1=C(C=C(C=C1)N2C(SCC2=O)C3=CN=CC=C3)F 1 2.78 2 1 -7.91093492790992 3238840 CCC1=C(N=C2C=C(NN2C1=O)C3=CC=C(C=C3)OC)C 1 1.949 3 2 0 -3.7594736768692 3238839 C1=CC(=CC=C1CNC(=O)CCN2C(=O)C3=C(C2=O)C=NC=C3)Cl 1 1.267 3 3 0 -14.3006452307224 3238834 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl 1 0.638 5 5 0 -19.1651997552411 3238833 CC1CCCCC1NC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 2.89 3 2 -10.5273510606427 3238832 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCCOC(C)C 1 0.715 2 4 0 -29.6407315226344 3238829 C1C2=C(CS1(=O)=O)SC(=C2)C(=O)NCC3=CC=CS3 1 1.679 1 3 0 -13.6087801651978 3238828 CC1=CC=C(C=C1)C2C3(C2(C(N=C3N)(OC)OC)C#N)C#N 1 1.558 4 2 0 0.267019149169356 3238824 C1=CC=NC(=C1)CCSCC(=O)NC2=CC=CC=N2 1 1.716 3 1 0 -8.96509901830566 3238823 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=NC=CC(=C3)C 1 2.841 4 2 -4.68669381669709 3238821 C1CN(CCN1CCC(=O)NC2=CC=CC=C2F)CC(=O)NC3=CC=CC=C3Cl 1 2.668 4 2 -5.38673330613223 3238820 COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3C=NC=N3)C(F)(F)F 1 3.416 5 1 2.24820242565666 3238819 C1=COC(=C1)CNC2=CC(=O)N(C(=O)N2)C3=CC=C(C=C3)Br 1 2.496 3 3 -3.6415536814295 3238817 COCCNC(=O)C1CC(=O)N(C1)CCC2=CC=CC=C2 1 0.506 2 3 0 -19.2082544696452 3238816 CC1(OC(=O)C(=CNCC(C2=CC=CC=C2)O)C(=O)O1)C 1 0.446 1 5 0 -7.81314086628372 3238815 CC1CCCN(C1)CCCNC(=O)C2CCC(=O)N2CC3=CC=C(C=C3)C 1 2.537 3 2 -13.6453673025745 3238814 CCC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCC(CC3)C(=O)OCC 1 1.775 2 5 0 -12.0782879273819 3238813 CC(=O)C1=CC(=CC=C1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)OC 1 3.03 2 4 -5.21798289627955 3238812 CCCCN1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)F 1 2.841 4 1 -0.905722693850205 3238811 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C1=O)C 1 1.436 4 5 0 -19.297872313911 3238808 COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)N4CCCC5=CC=CC=C54 1 4.628 2 3 -7.51103574413092 3238807 C1CC2=C(C(C3=C(N2)NC(=S)NC3=O)C4=CC=C(C=C4)Br)C(=O)C1 1 2.998 3 2 -21.7950610851006 3238805 CCOC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C)OCC 1 2.94 3 6 0 -22.7680658603086 3238804 CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CC=C3)N 1 2.673 5 1 -10.6606216296599 3238803 C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)NCCOC3=CC=CC=C3F 1 3.001 2 3 -7.98300835803533 3238802 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC(CC3)C)C(=O)NCC4CCCO4 1 1.728 3 5 0 -28.5034535202261 3238800 CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C=C3CCCCC3=N2 1 1.757 4 2 0 -9.87936416314144 3238799 CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3=CC=CO3)N 1 3.285 3 4 0 -14.0610167930848 3238798 CC1=C(SC=C1)C2=NC(=C(O2)C)CSCC(=O)NCCN3CCCC3 1 2.66 3 2 -4.65612009449529 3238795 CC1CN(CC(O1)C)C(C2=CC=C(C=C2)Br)C3=C(N4C(=NC(=N4)C)S3)O 1 3.671 4 2 -4.69984881055433 3238793 CC1=CC=CC=C1SCC2=CC=C(O2)C(=O)OC 1 3.77 0 3 -8.20337328651409 3238792 COCCNC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC(=C(C=C3)F)F 1 2.616 3 2 -6.80415493105578 3238791 CCN1C(=O)CC(SC1=NC2=CC(=CC=C2)OC)C(=O)NC3=CC=C(C=C3)F 1 3.646 3 3 -2.32320525014117 3238790 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NOC4=C3CCCC4 1 4.254 2 4 -21.6198398466021 3238789 CC1CC(C(=O)C(C1)C(C2=CC=CC=N2)O)C(C3=CC=CC=N3)O 1 1.876 2 3 0 -2.7307173088527 3238787 CC1=CC=CC=C1CN2C=NC3=C(C2=O)N=NN3C4=CC=C(C=C4)OC 1 3.321 5 2 0 -4.25430770628835 3238786 C1=CC=C(C=C1)C(CC(=O)O)N2C=NN=N2 1 0.482 4 2 0 -13.7233626258918 3238785 CC1=CC(=O)N=C(N1)SCC(=O)NC2=NC3=C(S2)CCCC3 1 1.991 4 2 0 -22.0533713345457 3238784 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NCCC4=CCCCC4 1 3.223 5 2 0 -15.2988855145581 3238783 CCCN1C(=CC(=O)C2=C1C=CC(=C2)NC(=O)C3=NC=CN=C3)C 1 1.864 4 2 0 -10.4221243890798 3238781 C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=CC5=C(C=C4)OCO5 1 0.763 2 5 0 -11.0538486779833 3238780 CCN1C(=C(C=N1)C2=NOC(C2)C(=O)N3CCC(CC3)C(=O)N)C 1 -0.37 5 3 0 -12.9070428816447 3238779 CC1=C(C(=NO1)C)S(=O)(=O)NCC2=CC=CC=C2OC 1 1.19 2 4 0 -7.49308548463388 3238778 CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCOCC2 1 0.728 2 4 0 -11.0774904847937 3238777 CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=NC=CC=N4 1 3.224 7 1 0 -15.9222115055746 3238776 C1CC(C1)C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)NCC4=CC=CO4 1 2.121 2 4 -15.3437705588473 3238775 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCC4=CC(=CC=C4)OC 1 2.598 5 3 0 -13.6854301167909 3238774 CCN1CCCC1CNC(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3C 1 3.348 3 2 -20.7521582243875 3238773 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CC=C2 1 2.118 2 3 -16.6676027603064 3238772 CS(=O)(=O)N1CCCC(C1)C(=O)NCCCN2CCOCC2 1 -0.926 3 4 0 -20.7835060196185 3238771 COC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=O)CCS(=O)(=O)C3=CC=CC=C32 1 1.9 2 5 0 -8.77100466912197 3238769 CC(C(=O)O)SC1=C(SC(=S)S1)SC(C)C(=O)O 1 4.278 0 4 -7.13456220165367 3238767 CC1=CC=CC(=C1)C2=NC(=C(O2)C)CN3CCCC(C3)C(=O)NC4CCCCCC4 1 4.702 3 2 15.6930112576481 3238766 CC1=C(C(=CC=C1)N2CCN(CC2)CCNC(=O)C3=CC4=C(S3)CS(=O)(=O)C4)C 1 3.096 3 3 -3.8487200328157 3238764 CCS(=O)(=O)NC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3)Br)NC2=O)O 1 1.642 2 5 0 -12.0570161483315 3238763 CC(C)C(C(=O)NC1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)C 1 1.891 3 6 0 -32.031400036401 3238762 CC(C)CNC(=O)C1CC(=NO1)C2=CC=C(C=C2)OC 1 1.981 2 3 0 -8.173375403437 3238760 C1=CC=C2C(=C1)N=NN2C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 4.672 5 1 3.48698273171976 3238759 C1COCCN1C(=O)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl 1 1.519 3 3 0 -6.58194618144876 3238757 COC1=CC=C(C=C1)CC(=O)N2CC(=O)N(C(=O)C2)CCC3=CC=CC=C3 1 1.902 2 4 0 -11.3265504086779 3238755 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCCCCC3 1 1.301 5 2 0 -12.6217168009685 3238752 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2)C(=O)CSC3=NC4=CC=CC=C4O3 1 2.757 3 4 0 -19.9985638676809 3238751 CC1CCN(CC1)CCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 2.72 2 3 -19.4267120593802 3238750 C1=CC(=CN=C1)CN(CC2=CC=CO2)C(=O)NC3=CC=C(C=C3)Cl 1 3.014 3 2 -6.08592888406472 3238749 CCN(CCCNC(=O)CNC(=O)CN1C=NC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 1.297 5 3 0 -21.7744784231628 3238748 C1CN(CCC12OCCO2)C(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5 1 2.508 2 5 0 -13.6470318421372 3238747 C1=CC(=CC=C1CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)Cl)F 1 3.728 5 1 -4.39731423917853 3238746 CCC1=NN=C(S1)NC(=O)CCC2=NC(=NO2)C3=CCN(CC3)C 1 0.94 6 2 0 -17.2058595253236 3238745 CC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 3.545 3 3 -1.16946354156322 3238743 C1COCCN1CCNC(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3 1 1.711 3 3 0 -16.284348532402 3238742 CCN1CCN(CC1)CCCNC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4 1 1.586 7 1 0 -9.11748739102171 3238740 C1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCCN3CCOCC3 1 -0.615 4 4 0 -18.3234976601087 3238739 CC1CCCCN1CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3 1 0.992 4 3 0 -18.0130455267749 3238737 C1CC(=O)N(C1C(=O)NCCN2CCOCC2)CC3=CC=CC=C3Cl 1 1.104 3 3 0 -14.6099328285431 3238736 C1CCN(C1)C2=NC3=C(S2)C=CC=C3Cl 1 3.123 2 0 2.69847778598544 3238735 CC1=C(OC=N1)C(=O)NC2=CC(=C(C=C2)OC)OC 1 1.053 2 4 0 -17.7742002518239 3238734 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CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OCC3=CC=CC=C3 1 2.719 3 4 0 -24.4683654717706 3238437 CC1CCCC(C1C)NC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 1.135 3 5 0 -16.9443153737089 3238436 CC(C)N1C(CCC1=O)C(=O)NC2CCCC2 1 1.158 2 2 0 -11.7182642817087 3238435 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.037 3 5 0 -7.27461491204036 3238434 CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2OC)S(=O)(=O)C3=C(NN=C3C)C 1 2.508 4 4 0 -19.3637478030641 3238433 CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)NCC3=CC=CO3)C 1 3.813 2 4 -14.8876534668251 3238432 COC1=CC(=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC(=CC=C3)OC)OC 1 2.151 1 6 0 -5.65947543381609 3238431 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N3CCCC4=CC=CC=C43 1 2.519 2 3 -8.7146700795558 3238430 CCN(CCCNC(=O)CCN1C(=O)C2=CC=CC=C2NC1=O)C3=CC=CC=C3 1 2.3 4 3 0 -20.2576350527808 3238429 C1CC(OC1)CNC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F 1 3.106 2 4 -10.2595188785718 3238427 CC1=C(N(N=C1C)C(=O)C2=CN=CC=C2)C 1 1.692 3 1 0 -3.23307844696099 3238426 CC1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=C(C=C4)OC 1 3.187 2 3 -8.01265201776882 3238425 CC1=CC=C(C=C1)N(CN2CCCC2=O)C(=O)C3=CC=C(C=C3)OC 1 2.926 2 3 -13.6839854632348 3238422 CC1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC5=CC=CC=C5 1 3.77 5 2 0 -7.31869159131121 3238421 COCCNC(=O)C1=CSC2=C1CCCC2 1 1.952 1 2 0 -11.792234210749 3238420 CCC1CCCCN1CCCNC(=O)COC2=CC(=O)N(C3=CC=CC=C32)C 1 2.225 3 3 -10.9883635993553 3238418 C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.206 3 5 0 -28.339787308867 3238417 C1CCN(CC1)CC2=C(C3=C(C=CC=N3)C(=C2)COCC4=CC=CC=C4)O 1 4.152 2 2 2.57561697872064 3238416 CCN1C(=CSC1=NC(=O)C2=CC=CC=C2O)C 1 2.331 2 2 -6.58763056086934 3238414 CCOC(=O)N1CCC(CC1)NC(=O)CCC(=O)N2CC(OC3=C2C=C(C=C3)C)C 1 1.608 3 5 0 -15.6627064543211 3238413 CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC 1 0.281 2 5 0 -23.1864467460636 3238412 COC(=O)CSC1=NSC(=C1C#N)SCC(=O)OC=C 1 1.966 2 4 0 -16.5611226138893 3258850 CCCOC(=O)C1=C(NC(=O)NC1C2=CC=C(S2)Br)C 1 2.352 2 3 -24.9705772618641 3258848 CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)CC2=C(C=C(C=C2)Cl)Cl)Cl 1 3.466 2 5 0 -11.2068453673737 3258823 COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC3CCCCC3)OC 1 2.463 2 4 -16.8040594215965 3258822 CCCCNC(=O)C1CC(=O)N(C1)CCC2=CC=C(C=C2)C 1 2.452 2 2 -17.6780132614959 3258819 CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.985 1 6 0 -11.1055093077278 3238409 COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4)NC2=O 1 2.207 4 4 0 -11.3013825898235 3238408 C1CCCC(CC1)N2CC(CC2=O)C(=O)O 1 1.469 1 3 0 -12.3535780287808 3238404 COC1=CC=CC(=C1)C(=O)N(CN2CCCC2=O)C3=CC=CC=C3OC 1 2.423 2 4 -17.2925604031932 3238403 C1CCC(CC1)N2CCN(CC2)C(=O)CCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 1 3.239 4 4 0 -7.76749199772786 3238402 C1CC(OC1)CNC(=O)CSC2=NN3C(=NN=C3C4=CC(=CC=C4)F)C=C2 1 2.483 5 2 0 -15.2086225438583 3238401 C1=CC2=C(C=C1NS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O)SC(=O)O2 1 2.421 1 7 0 -0.686263918196349 3238400 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCC3CCCO3 1 0.913 2 4 0 -13.1648326068393 3238399 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.032 4 3 0 -23.6280889938967 3238398 COC1=CC=C(C=C1)C2C(CC(=O)N2C3=CC=C(C=C3)OC)C(=O)N4CCC5(CC4)OCCO5 1 2.159 2 6 0 -9.56938439122528 3238397 CN1C2=CC=CC=C2SC1=NC(=O)CSCC(=O)N3CCCC3 1 2.356 3 2 -11.1766802056591 3238396 COCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=C(C=CC(=C3)OC)OC 1 1.618 2 5 0 -13.1286113494554 3238395 CCC(=O)NC1=C2CCCC2=NC3=C1CCCC3 1 3.051 2 1 -5.7063923498999 3238394 C1CCC2(C1)OC(=CC(=O)O2)C3=CC=CC=C3 1 2.693 0 3 -1.10037568599748 3238393 COC(=O)C1=CC(=O)N=C2N1N=C(S2)C3=CC=C(C=C3)F 1 2.455 3 3 -5.5964106937812 3238392 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(C(C)C)C(=O)NC3=CC=CC(=N3)C 1 2.443 4 4 0 -27.2732294209195 3238391 CC(=O)OC1=CC=C(C=C1)C=C2C(=O)N3C(=NC=N3)S2 1 2.014 3 3 -11.201215144066 3238389 C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 4.094 4 2 2.75470353630314 3238386 CC1(C(OC(=O)C(C1=O)(C)C)C2=CC=CS2)C 1 3.084 0 3 -6.34785671214906 3238385 CC1=CC=C(C=C1)C2=C3C(=C4N2N=C(C=C4C)C)N(C(=O)N(C3=O)C)C 1 3.406 4 2 -6.63297189009518 3238384 COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O 1 1.069 0 5 0 -12.6016646328464 3238382 C1=COC(=C1)CNC(=O)C2=NOC(=C2)C3=CC=CS3 1 2.449 2 3 -11.7701104410155 3238381 CC1=CC=C(O1)C2N3CCCC3C(=O)N2C4=CC(=C(C=C4)Cl)Cl 1 4.235 2 2 -4.00087755308427 3238378 CC1CCN(CC1)CCNC(=O)CN(C)S(=O)(=O)C2=CC=CC3=NSN=C32 1 1.442 5 3 0 -15.8744429658507 3238377 CCOCCCNC(=O)C(C1=CC=C(C=C1)Cl)NC(=O)CNC(=O)C 1 0.157 3 4 0 -19.0229753705485 3238376 CC1=CC=C(C=C1)NC(=O)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC 1 2.819 2 5 0 -7.50583681137216 3238372 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5NC4=O 1 3.397 4 3 0 -6.18037309606004 3238370 COC1=CC=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4 1 1.285 3 6 0 -13.4739049601988 3238369 CN(C(=O)C1=CC2=C(C=C1)OCO2)C3(CCCCC3)C(=O)NC4CCCC4 1 3.401 2 4 -15.9638451748254 3238368 CCOP1(=S)OC2=CC3=C(C=C2C(O1)(C(=O)OC)C(F)(F)F)OCO3 1 2.994 0 7 0 -1.65357019642771 3238367 C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCC3=CC=CS3 1 1.872 2 3 0 -18.7997500187003 3238365 CCC(CO)NCC(COC1=CC2=C(C=C1)N(C(=C2C(=O)OCC)C)C)O 1 2.116 2 5 0 -4.731708955836 3238364 C1C2=CC=CC=C2N3C=CC=C3C(N1)C4=CC(=C(C=C4)O)Cl 1 4.216 2 1 -2.27750012474126 3238362 CCOC(=O)CN1C(=O)COC2=C1C=C(C=C2)C(C)(C)C 1 2.282 1 4 -3.22482806819751 3238361 C1=COC(=C1)CN2C(=NNC2=S)C3=CC=C(C=C3)Br 1 3.615 3 1 -2.3832561882832 3238360 C1CCN(C1)CC(=O)N2CCCC3=C2C(=O)OC4=C3C=C(C=C4)OCC5=CC=CC=C5 1 3.455 2 4 -11.9686478122972 3238359 C1CCC(CC1)N2CCN(CC2)CCCNC(=O)NC3=CC=CC=C3C(F)(F)F 1 3.905 4 1 -5.86962517670983 3238357 C1=CC(=CC(=C1)Cl)C2=CC(=NO2)C(=O)NCC3=CC=CS3 1 3.718 2 2 -4.91209542456168 3238356 CC#CCCCC(=O)NC1=CC=CC=C1C(=O)O 1 2.749 1 3 -13.7924923894781 3238355 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2)C)F)C 1 3.527 2 3 -9.21541193775096 3238354 CCOC(=O)CCC(=O)NCC1=CC2=C(C=C1)N(C(=C2)C)C 1 2.021 2 3 -19.528637497094 3238352 CCC1CCCCN1C(=O)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCCO4 1 3.082 3 4 0 -17.3842420430349 3238351 C1=CSC(=C1)C2=CC(=NO2)C(=O)NC3=CN(N=C3)CC4=CC=C(C=C4)F 1 3.699 4 2 -9.76735872642184 3238350 C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)OC4=CC=CC=C43)F 1 3.34 2 2 -1.02666838112861 3238349 CCS(=O)(=O)N1CCC(CC1)C(=O)NCCCN2CCC(CC2)CC3=CC=CC=C3 1 2.257 3 3 -17.9233328704906 3238348 CC1=NC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.661 3 3 0 -9.35138584525125 3238347 CC(=O)OC1CC(N(C(C1)(C)C)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)(C)C 1 1.643 2 6 0 -11.698521447603 3238346 CC1CCCCN1CCNC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)C 1 2.632 4 2 -10.9504988905065 3238344 CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=CO3)C4=CNC5=CC=CC=C54 1 2.887 3 3 -9.94699003485286 3238343 CC1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)C(=O)O 1 2.796 2 2 -1.78542411965173 3238342 CC1CCCCC1NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=NSN=C32 1 2.312 4 3 0 -15.4099911548604 3238340 COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC=C(C=C3)OC)C(=O)N4CCOCC4 1 2.238 2 5 0 -11.6814021375682 3238339 COC(=O)C1=C(N=CC=C1)N2C(=O)C3=C(N=CC=C3)N(C2=O)CC4=CC=C(C=C4)Cl 1 3.433 4 4 0 -5.90198136046915 3238338 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=NC=CN=C3 1 -0.291 4 4 0 -12.9182301248217 3238337 CCN(CC)C(=O)C1=C(N2C=C(N=C2S1)C3=CC=C(C=C3)OC)C 1 2.917 3 2 -3.10248777002742 3238336 CC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)NCC4=CC=CO4)N=N2 1 3.03 6 2 0 -17.5398341354142 3238335 C1=CC=C(C(=C1)N2C(=O)C3=C(NN=C3)N=C2SCC#N)Br 1 2.86 5 1 -17.4323292033011 3238334 COC(=O)C1=CC2=C(S1)CS(=O)C2 1 0.907 0 3 0 -4.97311524299494 3238333 C1CCC(CC1)N2C(CCC2=O)C(=O)NCC3=CC=C(C=C3)F 1 2.677 2 2 -11.7764591268457 3238332 C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)CC(=O)N 1 0.569 3 3 0 -17.2168220698962 3238331 CCOC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4CC4 1 3.42 2 4 -0.514646784517919 3258761 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCCC2C(=O)O 1 1.381 2 4 0 -6.89133576359602 3238330 C=CCN1C2=CC=CC=C2C3(C1=O)C4CCCC=C4C(=C(C3(C#N)C#N)N)C#N 1 1.754 5 1 0 -5.15470445855192 3238328 CC1CCC(CC1)C(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.847 4 2 -19.1253038172154 3238325 CC1=CC(=CC=C1)CSC2=NCCN2C(=O)C3CC3 1 3.471 2 1 -13.2267730165947 3238324 CC(C(=O)OC)SC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F 1 3.115 5 2 0 -9.25285551955308 3238323 CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3C4(C2=O)OCCCO4 1 3.343 1 3 -5.23106769625575 3238322 CC1=NC2=NC(=NN2C(=C1)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C 1 3.751 6 0 4.28115816941389 3238321 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCOCC3)C(=O)N4CCN(CC4)C5=CC=CC=C5F 1 1.722 5 4 0 -19.4526496859357 3238320 CCN(CC)S(=O)(=O)N1CCC(CC1)C(=O)NC(C)CCC2=CC=CC=C2 1 2.077 3 3 -17.8000244904243 3238319 CC1=CC(=CC(=C1)NC(=O)CN(C)S(=O)(=O)C2=CN=CN2)C 1 0.567 4 3 0 -6.44512618428702 3238317 CCC1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)OC 1 1.908 4 2 0 -10.8863972923223 3238316 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C5=NC6=CC=CC=C6N5C(=S)N4 1 3.54 7 1 0 -1.46267033437877 3238315 C1CCC2=C(C1)C(=NO2)C(=O)NCC3=CC=C(C=C3)Cl 1 3.551 2 2 -12.9170907190172 3238314 CCN(CCCN1C(=O)C2=CC=CC=C2N=C1SCC#N)C3=CC=CC=C3 1 4.189 4 1 -18.3366132723257 3238313 C1C(CC(=O)C(=CNCC2=CC=CO2)C1=O)C3=CC=CC=C3 1 1.76 1 3 0 -11.6215926398147 3238312 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC(=O)OC 1 0.124 2 6 0 -19.3334617526225 3238311 C1CCC(CC1)N2CCN(CC2)C3=NC4=CC=CC=C4N5C3=NN=N5 1 2.132 7 0 0 -1.61058743211712 3238310 COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)N3CCCC4=CC=CC=C43)OC 1 4.011 2 4 -8.56031122006013 3238308 CCCCNC(=O)CCCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NCCC3=CCCCC3 1 3.321 4 4 0 -23.0438630572472 3238307 CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCOCC3 1 0.399 3 4 0 -16.8698500168533 3238306 CC1=CC(=NC=C1)NC(=O)CCC2=C(N3C(=NC=N3)N=C2C)C 1 1.956 6 1 0 -17.7066182888793 3238305 CC1=C(SC2=NC=NC(=C12)N3CCC4=CC=CC=C4C3)C(=O)N5CCOCC5 1 3.351 4 2 -14.6038005709236 3238303 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN(CC)CC)NC1=O 1 2.662 4 3 0 -14.9484437521723 3238302 C1CC(=O)N(C1)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S 1 1.499 5 3 0 -27.8403338511806 3238301 C1=CC=C2C(=C1)N=C(N2N=CC3=CC=C(C=C3)Br)N 1 3.74 4 0 8.07820393733763 3238300 C1CC(C2=CC=CC=C2C1)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O 1 2.97 1 4 -8.39820072595586 3238299 CCOCCCNS(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C 1 0.422 2 4 0 -20.6392848898494 3238298 COC1=CC=CC=C1C(=O)N2CCN=C2SC 1 2.292 2 2 -8.26982435889676 3238297 CN(C)C(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2 1 1.045 3 2 0 -14.3242312897072 3238296 C1=CC=C(C(=C1)NC(=O)NC2=CC=CS2)Cl 1 2.973 2 1 -5.94153525698913 3238294 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.233 3 2 -2.79822846336183 3238292 CCC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C(C)C 1 3.714 2 2 -10.4349449425661 3238291 CCS(=O)(=O)NCCC1=CC2=CC(=C(C=C2NC1=O)C)C 1 1.773 2 3 0 -9.17667349616433 3238290 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 2.53 2 6 0 -5.57505920258831 3238289 C1=CC=C(C=C1)C(CC(=O)O)N2C=CC=C2 1 2.471 1 2 -6.98934128083368 3238288 C1N(C(C(=O)O1)CC(=O)O)C(=O)OCC2=CC=CC=C2 1 1.179 1 6 0 -10.3215499881943 3238287 CC1=CC=C(C=C1)NC2C3=C(C=CC=N3)C(=O)N2C4CCCCC4 1 4.282 3 1 -4.73865541868789 3238284 C1CCC2=C(C1)N(C3=C([N+]2=O)C=CC(=C3)F)[O-] 1 2.17 2 2 -2.39492032749973 3238283 CC1=CC=C(C=C1)CNC(=O)C2CNC3=C(O2)C=CC(=C3)C 1 3.192 2 2 -9.51687413899915 3238282 CCOC1=CC(=C(C=C1)OCC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CN3 1 0.88 4 5 0 -8.043603039559 3238281 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)N4C(=CN=N4)C5=CC=CO5 1 4.789 5 3 0 -9.40309766674632 3238280 CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)C(C)C(=O)N4CCCCC4 1 2.86 3 2 -8.28547604444765 3238279 CC1=C(C(=NN1C)C)S(=O)(=O)N(CC(=O)NCCCOC(C)C)C2=CC=C(C=C2)C(C)C 1 2.513 4 4 0 -19.9975819104891 3238278 C1=CC=C(C=C1)C(=O)C2=CC=CN2CC(=O)NCC3=CN=CC=C3 1 2.317 3 2 -16.5041398561496 3238277 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NCCC(C)C 1 2.638 2 3 -21.8484244499761 3238276 CC1=CC=CC=C1OCC2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 3.646 3 4 0 -0.634293271232124 3238274 CCN(CC)C(=O)C1=NOC(=C1)C2=CC=C(C=C2)Br 1 3.382 2 2 -5.58971690107747 3238272 C1=CC(=CC(=C1)O)NC2=NC(=O)C(S2)CC(=O)O 1 1.505 2 4 0 -8.03807281934117 3238271 C1CCC(C1)NC(=O)CCNC(=O)C2=CC=C(O2)Br 1 1.711 2 3 0 -16.1669666831459 3238269 CC1=CC2=C(C=C1)N=C3C=CC(=NN3C2=O)N4CCCC4 1 2.066 4 1 -4.06753610998691 3238268 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NOC(=C3)C4=CC(=CC=C4)Cl 1 5.23 4 2 -3.39658792349863 3238267 CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2CCCCC2 1 3.551 1 4 -8.75840207411469 3238266 C1CCC2=CN(N=C2CC1)CC(=O)O 1 1.937 2 2 0 -6.4852441098924 3238265 C1CN2C(=NC3=CC=CC=C32)CN1C(=O)NC4=CC=C(C=C4)F 1 2.674 4 1 -3.85554567607548 3238264 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)N3CCN(CC3)C4=CC=CC=N4 1 1.999 4 3 0 -5.75294641042474 3238263 C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3C4=NC(C(=O)N42)C5=CC=CC=C5 1 3.104 4 3 0 -24.6452940558034 3238261 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CN=CN3 1 0.61 3 2 0 -7.97547560241848 3238260 CCCS(=O)(=O)N1CCC(CC1)C(=O)NC2CCCC(C2C)C 1 2.352 2 3 -21.8671087445598 3238258 CN(CC(=O)N1CCC2=CC=CC=C21)S(=O)(=O)C3=CC=C(S3)Br 1 2.218 2 3 -12.8973704572553 3238257 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NC3=NC4=CC=CC=C4S3 1 2.94 4 2 -14.0274276210871 3238256 CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=CC=C3 1 1.298 3 4 0 -15.421627744581 3238255 CCOC1=CC=C(C=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.157 2 4 -15.7352565260158 3238253 COC1=CC=C(C=C1)CN2C(=O)C3C4CC(C3C2=O)C=C4 1 1.677 1 3 0 -0.210214268017403 3238252 CN1C(=O)CSC2=C1C=C(C=C2)NC(=O)N3CCOCC3 1 0.394 3 3 0 -12.3811298867822 3238250 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)NC3=CN(N=C3)CC4=CC=C(C=C4)F 1 3.729 4 3 0 -4.17083788843624 3238249 CCOC1=CC=C(C=C1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C4=CC=CC=C4 1 3.48 4 3 0 -0.720921451728191 3238248 CC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=C(C=C4)OC(=O)N5CCOCC5 1 3.798 5 4 0 -14.1030061375096 3238247 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CN4 1 0.824 5 4 0 -4.73078405478512 3238246 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCS(=O)(=O)C3=CC=C(S3)Br 1 2.37 1 5 -18.2624614226735 3238243 COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)OCC4=CC=CC=C4)N=N2 1 3.992 5 3 0 -12.4877150636799 3238242 CCOC1=CC(=C(C=C1)OCC)N=C2C(=CC3=C(O2)C(=NC=C3CO)C)C(=O)N 1 1.891 3 5 0 -5.06779632868925 3238240 CC(C)NC(=O)C1=NOC(=C1)C2=CC=CC=C2OC 1 2.44 2 3 -12.0657562908231 3238238 CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.855 2 5 0 -10.7012825626683 3238236 CN1C=C(C2=CC=CC=C21)CN3CCN(CC3)C4=CC=CC=C4 1 4.032 3 0 6.84963651677857 3238235 CC1=CC2=C(S1)C=C(N2C)C(=O)O 1 2.349 1 2 0.290139822015797 3238234 CC1=CC2=C(C=C1)OCC(=O)N2CCC(=O)NCCN3CCOCC3 1 0.446 3 4 0 -16.3028781022671 3238233 CC(C)OC(=O)CN1CCN(CC1)C2C3=CC=CC=C3C4=CC=CC=C24 1 3.594 2 2 -6.41946636295431 3238232 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3C4CCC(C4)C3C(=O)O 1 3.195 3 3 -8.8297767645879 3238231 CCOC(=O)C1=CC=C(N1C)S(=O)(=O)NC2CCCCCCC2 1 3.431 2 4 -8.86508044013237 3238229 COC1=CC(=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4O3)OC 1 2.805 3 4 0 -11.1123058109325 3238228 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CN3C=CC4=CC=CC=C4C3=O 1 2.492 3 2 -1.65744775341146 3238227 COCCCN1C(=O)C2=C(NC1=S)N=CC=C2 1 1.462 3 2 0 -4.70446913153299 3238226 CC1=C(C=C(N1CC(=O)N2CCC(CC2)N3CCCCC3)C4=CC=CC=C4)C(=O)C 1 3.118 3 2 -6.23350131628087 3238225 C1=CC(=CC=C1CCNC2=CC(=O)N(C(=O)N2)CC3=CC=C(C=C3)F)S(=O)(=O)N 1 1.805 4 4 0 -7.38661906013343 3238224 CC(C)NC(=O)C1CC(=NO1)C2=CC(=CC=C2)OC 1 1.515 2 3 0 -8.59306744878355 3238223 CCN1CCN(CC1)CC2=C(C3=C(C=C2)C(=C(S3)NC(=O)C)C(=O)OCC)O 1 2.278 3 4 0 -2.24812249521933 3238221 CC1(C(N(C(=O)O1)C)(C)O)CCC2=CC=CC=C2 1 2.235 1 3 -1.23015569777169 3238220 CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)C(C)(C)C 1 2.303 2 5 0 -9.47897306974832 3238219 CC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=CC=CC=C2)C 1 3.055 1 4 -12.3377491906713 3238218 CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3COC4=CC=CC=C4O3)C5=CN=CC=C5 1 2.108 3 6 0 -10.5265034992774 3238217 CCN1C(=O)C(C2CC1(OC3=CC=CC=C23)C)C(=O)NC4=CC=C(C=C4)OC 1 2.35 2 4 -5.48393498120687 3238216 CCOCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4 1 3.346 5 3 0 -10.8184457275912 3238214 CCOC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)OCO3 1 3.194 1 4 -7.77089207217887 3238213 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)N(C4=O)C)C 1 0.557 5 5 0 -22.8679989691599 3238212 CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4 1 2.885 3 3 -23.4321668683763 3238211 CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCC3=CN=CC=C3 1 1.926 3 3 0 -12.9387958234217 3238209 C1=COC(=C1)C2=CC(=NO2)C(=O)NC3=C(C=C(C=C3)F)F 1 3.113 2 3 -3.30212073601794 3238208 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=NC=CC=N4 1 2.701 7 1 0 -14.4317729184429 3238206 CCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C4=CC(=CC=C4)Cl 1 4.039 6 2 0 1.39799214324387 3238205 COC(=O)CN1CCN(C2=CC=CC=C2C1)C(=O)C3=CC=C(C=C3)F 1 2.625 2 3 -8.8509588408576 3238203 C1C(=O)N(C2=CC=CC=C2S1)CC3=CC=C(C=C3)F 1 3.173 1 1 -2.75533215783929 3238202 CCC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C 1 2.585 2 2 -10.8012730409586 3238201 CC1=C(OC=N1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 0.871 2 4 0 -16.8459522216213 3238200 COC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.059 3 5 0 -8.25784136295862 3238198 CCC1CCCN1CN2C=NC3=C(C2=O)NC4=CC=CC=C43 1 3.024 4 1 -4.75276730704173 3238197 C1CC1(C(=O)NC2=NC=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.213 2 3 -4.16564372012117 3238195 CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O 1 0.829 2 5 0 -5.453964221482 3238194 COCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.154 1 5 -13.8228312509813 3238193 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCCCN2CCCC2=O 1 0.873 2 4 0 -28.7890788473327 3238192 CC1=CC(=NO1)N2C(N3CCCC3C2=O)C4=C(C=CC(=C4)OC)OC 1 2.466 3 4 0 -8.14472759311112 3238191 C1=CSC(=C1)CNC(=O)C2=NOC(=C2)C3=CC=CS3 1 3.007 2 2 -11.5814572797064 3238190 COC1=CC(=C(C=C1NC(=O)C2=NOC3=C2CCC3)OC)Cl 1 3.055 2 4 -16.9803495472986 3238188 CC1=CC=CC=C1C(=O)C2=CC=CN2CC(=O)O 1 2.792 1 3 -7.93136246542758 3238187 CCS(=O)(=O)N1CCCC(C1)C(=O)NC2CCC(CC2)C 1 1.644 2 3 0 -21.5368498079712 3238186 CN1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)F)C3=CN=CC=C3 1 1.504 4 2 0 -12.5467419121914 3238185 CC(C)NC(=O)CCCC1=CN(C2=CC=CC=C21)C 1 3.211 2 1 -16.085476528435 3238184 C1OC2=C(O1)C=C(C=C2)NC3=CC(=O)N(C(=O)N3)C4=CC=C(C=C4)Br 1 3.354 3 4 0 -3.95544278884831 3238182 COC1=CC=C(C=C1)C2=NOC(C2)C(=O)NCC3=CC=CC=C3 1 2.372 2 3 -8.46967992671566 3238181 CCOC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.327 3 4 0 -13.4303157563521 3238180 CCCS(=O)(=O)NCCC1=CC2=CC(=C(C=C2NC1=O)C)C 1 2.296 2 3 -11.1295906775621 3238178 CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OC)N 1 3.543 1 2 -1.18379583652615 3258599 C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.977 2 3 0.901074784657365 3258537 CC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl)C 1 -3.4e-002 4 7 0 -19.288631652873 3258510 CCOC(=O)CC(=NNC(=O)COC1=CC=CC=C1C)C 1 1.696 2 4 0 -8.52165338103245 3258476 CC1=CC=C(C=C1)NC(=S)N(CCN(C)C)C(C)C2=CN=CC=C2 1 4.483 4 0 -9.25116158035014 3258458 CCCCCC1=NC(=NO1)C2=NON=C2N 1 1.541 5 2 0 -4.31079656330362 3258401 CCC1=CC=C(C=C1)OCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3 1 4.891 4 4 0 -4.27242471709003 3258366 CCC1(CC2=C(CO1)SC3=C2C(=S)NC(=S)N3)C 1 3.879 2 1 -10.1430375555192 3258243 C1COCCN1C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F 1 2.175 3 2 -1.03500845449771 3258131 CC1CCC2=C(C1)SC(=C2C(=O)N)N=CC3=CC=CO3 1 3.245 2 2 -5.42681661537192 3238174 CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)OC)N4CCC5(CC4)OCCO5)O 1 2.528 4 4 0 -4.51024997857481 3238172 CC1CCC(CC1)NC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.729 2 2 -19.1540086891207 3238170 CC1=C2C(=CC=C1)SC(=N2)NC(=O)CNS(=O)(=O)C3=CC=C(S3)Br 1 2.843 3 3 -9.00554365263218 3238168 C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.893 2 5 0 -12.4418814241758 3238167 CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC(=C(C=C3OC)OC)OC 1 2.201 1 6 0 -10.7548816737652 3238166 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)NC(=O)NC5=CN=CC=C5 1 1.229 4 3 0 -2.48708636927577 3238165 C1CN(CCN1C2=CC=CC=N2)C(=O)CCSCC3=CC=CC=C3F 1 3.116 3 1 -8.62437304701373 3238164 C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)F 1 3.245 3 1 -3.16780090278622e-002 3238163 CC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)NCC4CCCO4)N=N2 1 1.173 6 3 0 -19.2260595228139 3238161 CCN1C=C(C=N1)CNC(=O)CCC2=CC=C(C=C2)OC 1 2.094 3 2 -15.884441741665 3238160 CCS(=O)(=O)N1CCCC(C1)C(=O)NCCCOC 1 -0.535 2 4 0 -25.8573281100649 3238159 C1C2C=CC1C(C2C(=O)NCC3=COC=C3)C(=O)O 1 0.603 1 4 0 -11.4856587183078 3238156 CCCN1C(=O)CC(SC2=CC=CC=C21)C3=CC=CO3 1 3.405 1 2 -5.92249992002196 3238154 CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCCCCC2 1 2.413 2 3 -9.50919403501816 3238152 CCCNC(=O)C1=C(C(=C(N1)C)C(=O)C)C 1 1.667 2 2 0 -10.8058575845629 3238151 CC1=CC(=NN1CC2=CC=C(O2)C(=O)NCC3=CC=CO3)C 1 1.938 3 3 0 -15.5089987584103 3238150 CCOC(=O)C1=C(N=C(S1)NC(=O)CNC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C)C 1 0.846 5 5 0 -28.842523092825 3238149 CC1(CC(=O)C2=C(O1)C=CC(=C2)OCC(=O)O)C 1 1.535 0 5 0 -12.4060046467564 3238148 C1=CSC(=C1)C2=CC(=NO2)C(=O)NC3=CN(N=C3)CC4=C(C=C(C=C4)Cl)Cl 1 4.822 4 2 -8.30534859740711 3238147 C1C2=C(CS1)SC(=C2)C(=O)NCC3=CC=CO3 1 2.137 1 2 -10.4679976596356 3238146 CC(C)CCN1CC(CC1=O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.354 3 2 -11.6901997146362 3238142 CC(C)(C)C1=CC=C(C=C1)C(=O)CCCSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CO4)C#N 1 5.252 2 3 -28.3483344127659 3238141 CCOC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C 1 2.43 2 5 0 -21.5786199187807 3238140 C1=CC=C2C(=C1)C(=COC2=O)C(=O)NC3=CN=CC=C3 1 0.968 2 3 0 -6.31498523178701 3238139 C1CCN(C1)CCNC(=O)C2(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.239 2 3 -5.51085162912707 3238138 CC1=CC=C(C=C1)CCNS(=O)(=O)C2=CN=CN2 1 1.143 3 2 0 -0.443299764175682 3238137 CC1CCCN(C1)C(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N 1 2.004 6 2 0 -10.4807821649027 3238136 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N(C)CCC#N 1 2.203 3 3 -10.9649833155864 3238135 CC1=C(OC(=N1)C)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.907 2 3 -2.36005109693604 3238134 CCS(=O)(=O)N1CCCC(C1)C(=O)N2CCC3(CC2)OCCO3 1 -0.195 2 5 0 -21.9956503792804 3238133 CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)C3=CC=C(C=C3)C 1 1.782 2 4 0 -3.52349268613513 3238132 CC1=CC(=NO1)C(=O)NC2=CN(N=C2)CC3=C(C=C(C=C3)Cl)Cl 1 3.204 4 2 -12.6193627375979 3238131 CC1=CC=C(C=C1)N2C(=O)C=C(NC2=O)NCC3=CN=CC=C3 1 1.902 4 2 0 -5.25838202613633 3238128 C1CN(CCC1C(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CN=CN3 1 1.157 4 3 0 -0.378663552372026 3238127 C1COCCN1CCCNC(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3 1 1.773 3 3 0 -16.4771359709175 3238126 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC5=NON=C54 1 3.02 5 4 0 -6.5537792803983 3238125 CCOC(=O)C(C(C)C)NS(=O)(=O)C1=CC=C(C=C1)Br 1 2.872 1 4 -17.8441053421278 3238124 CCOC(=O)N1CCN(CC1)C(=O)C(CC(C)C)NC(=O)C2CCCCC2 1 2.69 3 4 0 -14.6686298891503 3238091 CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2C=CC=C2 1 2.43 2 3 -8.22800098551663 3238090 C1CC(C2=CC=CC=C2C1)NC(=O)CN3C=CC=C3 1 2.788 2 1 -7.32267484673371 3238088 C1=CC=C2C(=C1)C(=NC(=S)N2)NCCCCCC(=O)O 1 3.16 3 2 -12.3848091926942 3238087 CN1C(=C(C=N1)Br)C(=O)NC2=NC=C(C=C2)Cl 1 2.357 4 1 -2.25037544753208 3238085 CCN(CC)CCNC(=O)CC1=C(N(C2=CC=CC=C21)C)C(=O)O 1 -0.705 3 3 0 -10.6744925567465 3238084 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3CCC(CC3)C(=O)NCC4CCCO4 1 2.79 3 3 9.43914160835254 3238083 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CCC4 1 2.479 2 3 -22.2962687818697 3238082 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F 1 2.088 4 3 0 -3.2002593481971 3238080 CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=CC3=NON=C32 1 2.357 3 4 0 -4.07455159846385 3238076 CC1CCCCC1NC(=O)CN2C(=O)COC3=C2C=C(C=C3)C 1 2.549 2 3 -12.4883259610456 3238075 CCC(C)(C(=O)NC1CCCC1)N(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)C4=NC=CN=C4 1 1.822 6 3 0 -23.8352964707305 3238074 CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)NCC3CCCO3 1 2.534 4 4 0 -40.5675860918929 3238073 CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCOC 1 -6.3e-002 2 5 0 -19.5668570537662 3238072 CCC(C)(C(=O)NC1CCCCC1)NC(=O)C2=CC=CC=N2 1 2.553 3 2 -15.1300898257471 3238071 C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)NCC3=CN4C=CSC4=N3 1 2.571 3 3 -4.17168603347004 3238070 CC(C)N1CCC(CC1)N(C2CCCCC2)C(=O)NC3=C(C=C(C=C3)OC)OC 1 3.814 3 3 -8.09546677474099 3238069 CC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C=NC=C3 1 1.082 3 3 0 -10.9400676050591 3238066 CCOC(=O)N1CCC(CC1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C 1 0.891 4 6 0 -31.0127906329134 3238123 CC1(CC(=CC(=O)C1)NC2=CC=CC=C2O)C 1 2.461 1 2 -10.1566912835193 3238122 C1=CC=NC(=C1)C2=NC3=C(O2)C=CC(=C3)OC4=CC5=C(C=C4)OC(=N5)C6=CC=CC=N6 1 4.847 4 3 0 8.80512274942665 3238121 CCC1CCCCN1CCCNC(=O)C2CCC(=O)N2CC3=CC=C(C=C3)C 1 3.119 3 2 -15.027601598377 3238120 CC(C(=O)O)NC(=O)COC1=CC(=CC=C1)Br 1 1.587 1 4 0 -10.1936889362842 3238117 CC(C)CCN1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)F 1 3.093 4 1 -3.24234142231745 3238116 CC(C)(C)OC(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)OC 1 -0.423 3 6 0 -20.3146777419642 3238114 CCOC1=CC=C(C=C1)N2C(C3=C(C2=O)C=CC=N3)NC4=CC=C(C=C4)F 1 4.052 3 2 -6.54690609175999 3238113 CC1=C(SC2=NC=NC(=C12)N3CCOCC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5 1 3.233 5 2 0 -8.40260586396974 3238112 CC1=NC(=C(C(=N1)N=CN(C)C)C(=O)C)C2=CC=CC=C2 1 1.094 4 1 0 -0.890341833802327 3238111 CC1=CC(=NO1)NC(=O)C2=NOC(=C2)C(C)C 1 1.91 3 3 0 -18.6978938042711 3238110 CCC1=CC=CC=C1NC(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)OC)N)C 1 3.72 6 2 0 -14.3210922753414 3238109 COC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 2.058 2 4 -19.0106338303072 3238108 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC(=O)N(C3=CC=CC=C32)C 1 0.62 3 5 0 -6.80341207989088 3238106 CC(C)CNC(=O)C1=CC(=CC=C1)CN2C=C(C=N2)Cl 1 3.127 3 1 -12.0065177440344 3238104 C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCCO3)CC(=O)NC4=CC=CC=C4Cl 1 2 4 4 0 -8.80055486333488 3238102 C[N+]1(CCOCC1)CCN2C(=O)C3CC=C(CC3C2=O)Cl.[Br-] Br- 1 -0.86 2 3 0 -8.72234004569233 3238101 CCCS(=O)(=O)C(=C1NC2=CC=CC=C2N1)S(=O)(=O)CCC 1 2.828 2 4 -9.77910919642314 3238100 CSC1=CC=CC=C1NC(=O)C2=NOC(=C2)C3=CC=CS3 1 3.802 2 2 -11.8876920783268 3238099 C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)NCC4=CN=CC=C4 1 -0.149 3 3 0 -15.8027448293809 3238098 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCCCCC3 1 2.687 3 3 -19.7697755995944 3238097 CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C=CS3)N=C2SCC(=O)NCC4=CC=CO4 1 2.377 4 5 0 -35.3613577642105 3238096 CN(CC(=O)NC1=CC=CC(=C1)C(F)(F)F)C2=NC(=NO2)C3=CC=C(C=C3)OC 1 2.866 4 3 0 3.3168276684392 3238095 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CC3=CC(=O)NC(=O)N3 1 0.594 6 4 0 -22.5839094570977 3238094 CS(=O)(=O)N1C(=CC(=N1)OC(=O)C2=CC=CC3=CC=CC=C32)N 1 2.312 3 4 0 -4.28328243930779 3238092 CC(C)(C)NC(=O)C1C2C3CCCCC3(N(C1=O)C)OC4=CC=CC=C24 1 2.559 2 3 -12.9058737438169 3238064 CCC(C)NC(=O)C1CC(=NO1)C2=CC=C(C=C2)OC 1 2.039 2 3 -11.1496905101675 3238019 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)CCC3=CC=CC=C3 1 4.026 4 1 -4.70434989456305 3238020 CC1=C(C=C(C=C1)NC(=O)CNS(=O)(=O)C2=CC=CS2)F 1 1.855 2 3 0 -10.9584377065218 3238022 COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=CC=CO4 1 2.719 3 4 0 -12.3167185146602 3238023 C1CNCCC1C2=CC(=O)NN2 1 -0.966 3 1 0 -6.7302215551863 3238026 CC(=O)OC1=CC=CC(=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CO4)S2 1 3.029 3 4 0 -8.16571006968739 3238027 CCCCN(C)S(=O)(=O)C1=C2C(=CC(=C1)Br)CCN2C(=O)C3CC3 1 3.182 2 3 -16.0027164297223 3238031 CCCSC1=NN=C(N1C2=C(C=CC(=C2)C)C)CC3=CC(=O)NC(=O)N3 1 3.253 5 2 0 -18.3443817342725 3238032 C1CN(CCN1CC(=O)NC2=CC=CC=C2F)C(=O)C3=C(C=CC=C3F)F 1 2.454 3 2 -10.849629945377 3238033 C1=CC=C(C=C1)C2=NC(=NN2)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5 1 4.54 7 0 0 3.90876221436098 3238034 CC1=NC2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)N1C4=CC5=C(C=C4)OCCO5 1 3.413 4 3 0 -4.32524297636228 3238035 C1CN(CCN1C2=CC=CC=N2)C(=O)CSCC3=CC=CC=C3Cl 1 3.326 3 1 -8.2123389160719 3238036 CC1=CC(=NC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43 1 1.648 5 4 0 -8.223616853892 3238037 CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCOC)NC1=S 1 1.499 3 4 0 -17.607271088897 3238038 CSC1=CC=C(C=C1)C2C3(C2(C4(N=C3N)OCCO4)C#N)C#N 1 1.432 4 2 0 0.721217329553836 3238039 CC1=C(C=CC(=C1)S(=O)(=O)NCCC2=CSC(=N2)C)OC 1 1.974 2 3 0 -5.33025305886189 3238041 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCCC4=CC=CC=C43 1 2.035 5 2 0 -14.1299826493117 3238061 COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NCCN4CCC5=CC=CC=C5C4 1 3.799 3 3 -6.74242188842377 3238059 CC1=C(SC2=C1C(=O)NC(N2)C3=CC(=CC=C3)O)C 1 2.624 2 2 -7.72411326059052e-002 3238058 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)N4C(=CN=N4)C(C)(C)C 1 5.276 5 2 0 -13.3605551898612 3238057 COC1=CC(=C(C=C1NC(=O)CN2C=CC=C2)Cl)OC 1 2.397 2 3 -8.27292454873915 3238056 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=NC=C(C=C3)C 1 2.841 4 2 -7.9695737965974 3238055 C=CCOC1=NC(=NC(=N1)N2CCCC2)N3CCCC3 1 2.115 5 1 -3.56719531883986 3238052 CCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CN=CC=C3)C(=O)OC(C)C)C 1 2.309 4 3 0 -29.3290780084172 3238051 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3CCCO3 1 0.25 2 5 0 -18.3037211488735 3238050 CN(C)C1=CC=C(C=C1)C(=O)N2CC(=O)N(C(=O)C2)CCC3=CC=CC=C3 1 2.046 3 3 -10.8898873623688 3238049 C1=CC=NC(=C1)CNC(=O)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl 1 2.273 4 2 -9.90605734746256 3238048 CCN(CC)C1=NC2=C(C=C(C=C2)NC(=O)CNC(=O)C)C(=C1)C 1 1.461 4 2 0 -10.5209486859977 3238047 CCOC1=C(C=C(C=C1)C(=O)C)N2C(=O)C3C4CC(C3C2=O)C=C4 1 1.759 1 4 0 -4.70016161503718 3238046 C1CN(CCN1CCC(=O)NC2=CC=CC=C2F)CC(=O)NC3=CC=C(C=C3)Cl 1 2.668 4 2 -4.55932960005569 3238045 CCN1C(=C(C=N1)C2=NOC(C2)C(=O)NC3=CC=CC=C3C(=O)OC)C 1 1.381 4 4 0 -14.2606467818662 3238044 CCCC1=NN=C(S1)NC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4 1 0.604 4 3 0 -12.5737169080416 3238043 CN1CCN(CC1)CCCNC(=O)C2=CC=C(O2)CSCC3=CC(=CC=C3)Cl 1 3.466 3 2 -6.43852193339963 3258067 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)N 1 0.294 3 2 0 -6.85410469483909 3258072 C1=CC=C(C=C1)C2C3(C(NC(=S)N2)C4=CC=CC=C4)C(=O)NC(=S)NC3=O 1 3.148 4 2 -3.87880484963132 3238017 C1=CC(=CC(=C1)Br)OC(=O)C2=CN=CC=C2 1 2.859 1 2 -6.74799698851492 3238016 CCN(CCNC(=O)C1CCN(CC1)S(=O)(=O)C)C2=CC=CC=C2 1 1.21 3 3 0 -19.5647087541522 3238015 C1CCC(=CC1)CCNC(=O)C2C3CCC(C2C(=O)O)O3 1 1.575 1 4 0 -11.5625737067853 3238014 CC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)NC3=C(C=CC(=C3)C)C)N 1 3.645 5 1 -16.1593537680412 3238013 COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C4=CC=CC=C4 1 3.594 3 2 3.44346463129953 3238011 CN1C(=CC2=C1N=C3C=CC=CN3C2=O)C(=O)NCCCN4CCCC4=O 1 -2.3e-002 5 3 0 -28.2860570654193 3238010 CCOC1=NC(=NC(=N1)NC(C)(C)CO)NCC=C 1 1.173 5 2 0 -9.56765407376824 3238008 CCOC(=O)C1CCCN(C1)C(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCOCC4 1 1.832 4 5 0 -18.3162157525586 3238007 C1CN(CCN1C2=NN3C(=NN=C3C4=CC=C(C=C4)F)C=C2)C(=O)NC5=CC=CC=C5Cl 1 3.518 7 1 0 -2.24120182194757 3238006 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC5=NSN=C54 1 2.117 4 5 0 -14.0184971320201 3238005 CC1=CC=C(O1)CNC(=O)C2=CC3=C(S2)N(N=C3C4=CC(=CC=C4)OC)C 1 3.56 3 3 -3.58859831304349 3238004 CN(C)C1=NC(=NC(=N1)N)CSC2=NN=C(N2CC=C)C3=CN=CC=C3 1 1.299 9 0 0 -12.1271140694121 3238003 CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3CCCC3 1 3.478 3 2 -20.5389927372327 3238001 CCOCCCNC(=O)C(C1=CC=C(C=C1)C)NC(=O)C2=CC=CC=N2 1 1.861 3 3 0 -20.8489987814628 3238000 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC(=C3)C4=CN5C=CC=NC5=N4 1 4.128 5 2 0 -6.18699565663457 3237999 CCS(=O)(=O)NCC1=CSC(=N1)C 1 2.8e-002 2 2 0 -7.65392468457476 3237998 CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C)C#N 1 -0.355 3 2 0 -12.318064110275 3237997 COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=O)COC3=CC=CC=C3 1 2.127 2 5 0 -14.4968936709353 3237994 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)N3CCCCCC3 1 2.392 3 4 0 -18.3177174180355 3237993 C1CN(CCN1C(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)C(=O)C4=CC=CO4 1 -0.218 4 5 0 -20.0712219833709 3237989 CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 1 1.231 2 3 0 -11.3894721443 3237988 C1COCCN1CCN2C3=CC=CC=C3N=C2NC(=O)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6 1 4.877 6 2 0 1.06356637245155 3237987 CCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3CCCC3 1 2.48 2 2 -10.9851154232919 3237986 C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)C(=O)NCCC4=CC=CC=C4 1 3.403 2 4 -6.80077999841547 3237985 CCCC(=O)NCC1=CC2=C(C=C1)N(C(=C2)C)C 1 2.725 2 1 -15.3061801701254 3237983 COC1=CC(=CC(=C1OC)OC)C2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F 1 4.038 2 4 7.80028167099342 3237982 CC1=CN=CN1CCC2=NC3=C4C=CC=CC4=NC(=S)N3N2 1 1.589 6 0 0 -6.33247922223983 3237981 CC1CC2=CC=CC=C2N1C(=O)CCS(=O)(=O)C3=CC=CS3 1 2.685 1 3 -16.3652819244397 3237980 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)N4CCOCC4 1 0.148 4 5 0 -13.4063500260258 3237979 C1CN(CCC1C(=O)NC2=C(C=C(C=C2)Cl)F)S(=O)(=O)C3=CN=CC=C3 1 1.923 3 3 0 -10.6707420154581 3237978 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(N2C)C=CS3 1 2.197 3 3 -3.81507908227494 3237977 CC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)F)C(=O)NCCCN4CCOCC4 1 2.125 4 2 -3.37340064645211 3237976 CC1=CC=CC=C1CS(=O)(=O)CCC(=O)NCCCN2CCOCC2 1 1.045 2 4 0 -17.3247641376047 3237975 COC1=CC=CC(=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCC(=O)NCC4=CC=CO4 1 1.991 4 6 0 -19.333177289567 3237974 CC12CC(C3=C(O1)C=CC(=C3)Cl)NC(=O)N2C4=CC(=C(C=C4)OC)OC 1 3.411 2 4 -4.4571814273061 3237972 CN(CCNC(=O)CCNC(=O)CN1C=CC2=CC=CC=C2C1=O)CC3=CC=CC=C3 1 1.022 4 3 0 -15.3088556969694 3237971 CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O)CC=C 1 4.565 2 2 -2.57431734784655 3237970 CCS(=O)(=O)N1CCC(CC1)C(=O)N2CCOCC2 1 -0.707 2 4 0 -21.0627227558635 3237969 CN(C)C(=O)N1CCC(CC1)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 1.333 3 4 0 -18.1777505981396 3237968 C1COCCN1CCCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)N 1 2.132 4 3 0 -15.5307823237728 3237964 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CC=CO3 1 1.878 2 3 0 -13.5430184194459 3237963 CC1(NC(=O)C(=N1)C2=C(C=C(C=C2)Cl)Cl)C 1 2.431 2 1 3.37421563087905 3237962 CCC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C 1 2.927 3 4 0 -6.75211350412283 3237961 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCCCN4CCC5=CC=CC=C5C4 1 2.89 6 2 0 -17.5204438093066 3237960 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N4CCN(CC4)C 1 1.087 3 5 0 -8.19858690952739 3237959 C1CN(C(=O)N1CC2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)Cl 1 2.491 3 2 -13.2586377253205 3237958 CC1CCC(CC1)NC(=O)C2C3=CC=CC=C3C(=O)N2CCCN4CCOCC4 1 2.191 3 3 -17.3600910277091 3237957 C1CN(CCC12OCCO2)C(C3=CC=C(C=C3)Cl)C(=O)NC4=CC5=C(C=C4)OCO5 1 3.172 2 5 0 -10.0093272460952 3237956 COC1=C(C=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3C4(C2=O)OCCCO4)OC 1 1.719 2 6 0 -19.8854309675612 3237955 CCOC1=C(C=C(C=C1)CCNS(=O)(=O)C2=C(NN=C2C)C)OCC 1 2.182 3 4 0 -10.5970809879486 3237954 CCNC1=NC(=NC(=N1)SCCOC2=CC=C(C=C2)C)N(C)C 1 3.396 5 1 -5.95780286989217 3237953 CC1=CC=C(C=C1)CN2C(CCC2=O)C(=O)NCC3=CC=C(C=C3)F 1 2.888 2 2 -11.4646165599589 3237952 COC1=C(C=C(C=C1)C(=O)NC2=NC=C(C=C2)Cl)Cl 1 3.315 2 2 -4.17837606184401 3237951 C1CN(CCC12OCCO2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br 1 1.683 1 5 0 -15.6453516076239 3237949 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCC2CCCO2 1 0.416 2 4 0 -27.8707582410312 3237947 COC(=O)C1=CC=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3 1 0.505 1 6 0 -1.23531009146697 3237946 CN1C=C(C2=CC=CC=C21)CC(=O)NCCOC 1 1.441 2 2 0 -11.7150808749117 3237945 CC1=C(C(=NN1CC2=CC(=C(C=C2)Cl)Cl)C)NC(=O)C3=NOC(=C3)C4=CC=CO4 1 4.692 4 3 0 -5.01150550477306 3237944 COC1=CC(=CC(=C1OC)OC)C2N3CCCC3C(=O)N2C4=CC=CC=N4 1 2.699 3 4 0 -5.39052061681282 3237943 C1CCC2=C(C1)C(=O)N=C(N2)SCC(=O)NC3=C(C=C(C=C3)Cl)F 1 3.529 3 2 -17.2854631877528 3237942 CC(C)NC(=O)C1CCN(CC1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 1 3.537 5 1 -6.29217173428325 3237939 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(O2)N=C4C=C(C=CC4=C3)C 1 4.551 2 3 -1.94467075967594 3237938 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C1=O)C 1 0.755 4 6 0 -21.5328372136419 3237937 CCOC(=O)N1CCN(CC1)C(=O)CN2C=C3CCCCC3=N2 1 1.474 4 3 0 -10.3924885881792 3237936 C1=CC=C2C(=C1)N=C(N2CC(CN3C4=CC=CC=C4N=N3)O)C(F)(F)F 1 3.849 5 1 -4.1831356099511 3237935 COC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCC5(CC4)OCCO5)OC 1 2.208 3 6 0 -13.9220877495687 3237934 COC(=O)C1=CN(N=C1N)C(=O)C2=CC=CC=C2F 1 1.781 3 3 0 -4.45203145689703 3237933 CC1=C(C=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=NSN=C32)C 1 2.683 4 3 0 -9.69427676530831 3237932 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC(C(C)C)C(=O)OC 1 3.416 5 3 0 -25.0903134617397 3237931 C1=CC=NC(=C1)CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.361 3 3 0 -16.2355427583878 3237929 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)NCCOC23CC4CC(C2)CC(C4)C3 1 0.129 3 5 0 -16.9915601895526 3237927 CC1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCOCC4 1 3.77 3 2 -6.18409734972199 3237926 CN1C2=C(C=C1C(=O)N3CCCC(C3)C(=O)NCC4=CC=CS4)SC=C2 1 3.126 3 2 -11.4192117160973 3237924 CC1=CC(=[N+]2C(=N1)N(C(=N2)C)C)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 0.546 4 0 0 -0.427158246383369 3237923 CC1CC(CN(C1)CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3F)C 1 3.59 2 4 -14.4623279299928 3237921 CN(C)C1=CC=C(C=C1)NC(=O)CN2C(=CC3=C2SC=C3)C(=O)OC 1 2.814 3 3 -10.069833298154 3237920 CC1=CC=C(C=C1)OC(=O)CCC2=C(N3C(=NC=N3)N=C2C)C 1 3.215 4 2 -16.8609454043412 3237919 CCC(C(=O)OCC)N1C=NC2=C(C1=O)N=NN2C3=CC=C(C=C3)OC 1 2.315 5 4 0 -10.2985870069925 3237918 CC1=CC=C(C=C1)CN2C3=CC=CC=C3OC(C2=O)CC(=O)OC 1 2.986 1 4 -6.23751251593637 3237917 CCN1CCCC1CNC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCC(CC4)C 1 1.211 5 4 0 -36.4243401532352 3237915 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)N3CCCC(C3)C(=O)OCC 1 2.396 2 5 0 -13.0983573003003 3237914 C1=CC=C(C(=C1)CNCCCC(=O)O)F 1 -1.081 1 2 0 -7.24895412098382 3237913 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F 1 2.655 4 2 -14.8795428689824 3237912 COC1=C(C=C(C=C1)N2C(N3CCCC3C2=O)C4=CC=CC=C4)Cl 1 4.008 2 2 -4.11987985192378 3237911 CCN1CCN(CC1)C(=O)COC2=CC(=O)N(C3=CC=CC=C32)CC 1 1.066 3 3 0 -5.25598440464002 3237910 CCCCNC(=O)C1=CC(=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)OC 1 2.688 3 5 0 -15.0998074497504 3237909 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCNS(=O)(=O)C3=CC=CS3 1 2.656 3 3 -9.12526277368412 3237908 C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)Cl)C(=O)N2CC1 1 3.857 3 2 -11.262713422303 3237907 C1CCCC(CCC1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3 1 3.89 3 2 -7.45990570861683 3237905 CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)N4CCOCC4 1 0.794 4 3 0 -12.1555718182487 3237904 CC1=CC(=NC=C1)NC(=O)CCCOC2=CC(=O)N(C3=CC=CC=C32)C 1 2.226 3 3 -6.70072780895163 3237903 C1CC2C(=O)N(C(N2C1)C3=CC=CC=C3F)C4=CC=C(C=C4)Cl 1 4.23 2 1 -0.930754922500653 3237902 C1=CC=C2C(=C1)C=CC=C2C=C3C(=O)N4C(=NC=N4)S3 1 3.154 3 1 -5.01350613222733 3237901 C1CCN(C1)CCCNC(=O)NC2=CC=CC3=CC=CC=C32 1 2.516 3 1 -8.16728693504764 3237900 CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 1.098 3 4 0 -17.5182417171454 3237899 CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)CCS(=O)(=O)C3=CC=CC=C32 1 1.457 2 6 0 -16.1210934907443 3237897 CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)N4CCC5=CC=CC=C54 1 2.888 5 2 0 -15.1925697501668 3237896 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N(C)CC3=CC=CC=C3)OC1=O 1 1.554 3 5 0 -14.1012950164645 3237894 C1CCN(CC1)/C=C\2/C(=O)OC(=N2)C3=CC=C(C=C3)Br 1 3.001 2 2 -6.93779472298089 3237893 CC(C)OCCCNC(=O)CNC(=O)C1=CC=CS1 1 0.709 2 3 0 -19.641547372035 3237891 CCOC(=O)N1CCC(CC1)NC(=O)CSC2=CC(=O)N(C3=C2C=C(C=C3)Cl)C 1 1.791 3 4 0 -9.52455288610038 3237890 CC1=CC(=CC(=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C)C 1 2.314 3 5 0 -11.674551332808 3237889 CC(C)CNS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCCC2 1 2.264 2 3 -14.5530281809487 3237888 COC1=NC(=NC(=N1)N)CC(=O)C2CC2 1 0.849 4 2 0 -9.1678519844259 3237887 CCCSCCCNC(=O)C1=CC2=C(S1)CS(=O)(=O)C2 1 1.904 1 3 0 -15.6996750653756 3237886 CCOC(=O)CN1CC23C=CC(O2)C(C3C1=O)C(=O)NC4CCCCC4 1 0.446 2 5 0 -7.41474598985938 3237885 CCCCON1C(=C(C2=C1C=CC3=NON=C32)C(=O)OCC)C 1 1.148 3 4 0 -3.23782759922776 3237884 CCOC(=O)N1CCC(CC1)N(CCOC)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.712 3 4 0 -4.37392021775818 3237883 CC1=CC=C(C=C1)C(C2=C(N3C(=NC(=N3)C)S2)O)N4CCOCC4 1 2.653 4 2 -3.76301583933894 3237882 CCOC(=O)C1=C(N(C(=C1)C)C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C 1 2.294 3 3 -14.6468975350456 3237881 CCC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.489 4 3 0 -22.0987186669884 3237880 CCOC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2C)CN3C4=CC=CC=C4SC3=O 1 3.712 5 4 0 -22.4310473400432 3237879 CC(C)NC1=NC2=C(C=CC(=C2)OC)C=C1C#N 1 2.48 3 1 -2.75146732053347 3237878 C1COCCN1C2=NC3=C(S2)C=CC=C3Cl 1 2.349 2 1 0.754923149104595 3237877 CC(=O)C1=CC2=C(O1)C=CC(=C2)O 1 1.922 0 3 0 3.02534652422028 3237876 CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N=C(S2)N3C=CC=C3)C 1 1.847 4 3 0 -9.71607750492515 3237875 C1CCN(CC1)C(=O)C2=NOC3=C2CCCC3 1 2.427 2 2 -13.1218577921334 3237873 CC1=NC2=CC=CC=C2C(=O)N1NCC3=CC=C(C=C3)OC 1 2.11 3 2 -7.85995487035445 3237871 CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)CC(C)C 1 3.029 3 1 -8.16461496496502 3237870 CNC(=O)C1=CC(=CC=C1)N2CCCC2=O 1 0.619 2 2 0 -18.0444572241925 3237869 C1=CC=NC(=C1)CCSCCC(=O)NC2=CC=CC=N2 1 1.964 3 1 0 -9.0236679467901 3237867 CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)O 1 3.292 3 4 0 -5.33752853918094 3237866 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NC4CCCC4 1 2.998 3 4 0 -10.9604080650441 3237865 CS(=O)(=O)C1=NC(=CC(=N1)C(F)(F)F)C2=CC=CO2 1 2.811 2 3 0.619757278055584 3237864 CCC(=O)NC(C1=CC=CC=C1)C2=NC3=CC=CC=C3N2 1 3.051 3 1 -5.99699056214052 3237863 CCCCN(C)CCCNC(=O)C1=CC=C(C=C1)N2CCCC2=O 1 2.149 3 2 -18.6314998814348 3237862 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.999 7 1 0 -15.8315868833013 3237861 COC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)N4CCCC4)N=N2 1 0.978 6 3 0 -11.8996418939005 3237860 CC(C)OCCCN1C(=O)C2=C(NC1=S)N=CC=C2 1 2.188 3 2 -5.96267697972179 3237857 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4)C 1 2.384 4 4 0 -15.353418423699 3237855 COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)COC3=CC=CC=C3 1 2.557 4 3 0 -14.9361055101174 3237854 CN1C(=CC=C1S(=O)(=O)NCC2=CC(=CC=C2)OC)C(=O)OC 1 1.879 2 5 0 -3.68546839763937 3237852 COC1=C(C2=CC=CC=C2NC1=O)N 1 -0.257 2 2 0 -5.13924925577773 3237851 CCCCC(=O)NC1(C2=C(NC1=O)N(C(=O)NC2=O)CC3=CC=CO3)C(F)(F)F 1 1.219 4 5 0 -12.9343923896382 3237849 CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)N=CC=C3 1 2.049 2 3 -4.65516367676872 3237846 COC1=C(C(=CC=C1)OC)C(=O)N2CCN=C2SCC3=CN=CC=C3 1 2.708 3 3 -11.876972379713 3237845 C1COCCN1CCCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4NC3=O 1 1.644 3 3 0 -15.7829055495663 3237844 CC1=CSC(=N1)NC(=O)C2=CN=C3C=CC=CN3C2=O 1 -0.215 4 2 0 -12.8253387747694 3237841 CCOC(=O)N1CCC(CC1)NC2=NC3=CC=CC=C3N4C2=NN=N4 1 0.473 7 2 0 -12.1073291933011 3237840 C1COC(=N1)C2=CC=CN2CC3=CC=C(C=C3)Cl 1 3.603 2 1 -3.96096102742361 3237837 CN1C2=C(C=CC(=C2)Cl)C(=CC1=O)SCC(=O)N3CCOCC3 1 1.322 2 3 0 -8.18260138813576 3237836 C1CCC(CC1)C2=C(C(=NC(=C2C#N)SCC#N)N)C#N 1 3.232 5 0 -10.6904776887497 3237835 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(CC(C)C)C(=O)N3CCC4=CC=CC=C43 1 3.441 3 4 0 -28.7128815304592 3237834 CSC1=NCCN1C(=O)C2=CC3=C(C=C2)OCO3 1 2.076 2 3 -8.49420753861937 3237831 COC1=CC=C(C=C1)CNC(=O)C2CC(=NO2)C3=CC=C(C=C3)F 1 2.578 2 3 -6.94298799647081 3237830 CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)F)CO 1 1.793 3 5 0 -11.5565164264714 3237829 CC1=C(C=C(C=C1)NC2=CC(=O)N(C(=O)N2)C3CCCCC3)C 1 4.091 3 2 -4.15419515043822 3237828 CCOC(=O)C1=C(C2=C(S1)C=CC(=C2)S(=O)(=O)N3CCOCC3)N 1 1.245 2 5 0 -20.8994466282698 3237826 CCC1CCCN1CN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)OC 1 3.008 4 2 -3.70082210994581 3237825 C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CO2)NS(=O)(=O)C3=CC=CC4=NSN=C43 1 2.734 4 4 0 -17.9353900123777 3237824 CC1CC(CN(C1)CCCN2C(=O)C3=CC=CC=C3NC2=S)C 1 3.899 3 1 -9.76516045169571 3237823 CC1=CSC(=N1)NC(=O)C2CCC(C2(C)C)(C)C(=O)O 1 1.96 2 3 0 -4.17558637899136 3237821 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4 1 1.61 4 2 0 -11.1859389975442 3237820 C1COCCN1CCNC(=O)CCCCCNS(=O)(=O)C2=CC=C(C=C2)Br 1 1.857 3 4 0 -20.2779997530162 3237819 CC1=CC(=CC(=C1)NC(=O)CN2C(=O)C3=CC4=CC=CC=C4N3C=N2)C 1 3.404 4 2 -6.19402601691654 3237818 CC1CCCCN1C2=NN=C(S2)N 1 0.935 4 0 0 -3.22056602254445 3237816 CC1=CC2=C(C=C1C)N(C(=N2)C)CCCNC(=O)NC3=CC=C(C=C3)C#N 1 3.49 5 1 -12.2285157692551 3237814 CCNC(=O)C1=C(NC(=C1C)C(=O)OCC)C 1 1.607 2 3 0 -12.9187342447279 3237813 C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4 1 3.425 4 2 -19.877094992176 3237810 CC1=CC(=CC(=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CCOC)C 1 2.623 2 3 -11.1151475664582 3237809 CCC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=C(C2=O)N=CC=C3 1 1.967 3 3 0 -7.35223199090102 3237808 C1COCCN1C2=C(C=C(S2)C(=O)O)C3=CC=CC=C3 1 2.906 1 3 -1.54557894442082 3237807 CCOC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC4=CC=C(O4)C(=O)OC 1 4.103 4 4 0 -9.07116824934941 3237805 C1CN(CCC1NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3)CC4=CC=CC=C4 1 1.189 4 4 0 -17.1006605942926 3237804 CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C4CCCCC4 1 2.785 3 2 -5.5150077726696 3237803 C1CN(CCC12OCCO2)C(=O)C3=CC=C(C=C3)CNC(=O)C4=CC5=C(C=C4)OCO5 1 1.868 2 6 0 -16.3037359237061 3237802 CC1=CSC(=N1)NC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C 1 1.284 4 2 0 -11.8515290199853 3237800 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CN3CCC(CC3)C(=O)NCC4=CC=CC=C4OC 1 3.998 3 3 9.58173951578202 3237799 COC1=C2C(=CC=C1)SC(=N2)NC3=NN=C(O3)C4=CC=CS4 1 3.146 4 2 -3.48676780586143 3237796 CC1=CSC2=NC=C(C(=O)N12)C(=O)NC3=NOC=C3 1 0.133 4 3 0 -12.0608968895225 3237794 CC1=NC(=CC=C1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC(=C(C=C4)OC)OC 1 3.043 3 4 0 -7.41851799803376 3237793 COC(=O)C1=C2C(=NN1)C(=O)N(C2=O)CC3=CC=CC=C3 1 1.465 3 4 0 -4.85018388942566 3237791 C1CCC(C1)N2C(CCC2=O)C(=O)O 1 0.854 1 3 0 -8.94624312437727 3237790 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CN=C4C=CC=CN4C3=O 1 0.281 3 4 0 -16.3123457558298 3237789 CCCCCC1=NC2=C(O1)C3=CC=CC=C3N(C2=O)C 1 3.422 2 2 -0.275495471475582 3237788 C1CCC2=C(C1)C(=O)N=C(N2)SCC(=O)O 1 1.504 2 3 0 -19.4665673837 3237786 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)N4COCC4(C)C 1 1.165 4 3 0 -13.8455371442743 3237784 CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=NOC4=C3CCCC4)C 1 4.028 4 2 -15.0387454568577 3237783 CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CCCCC4 1 2.818 4 3 0 -12.5900493438487 3237782 COCCN1CC2=CC=CC(=C2C1=O)C(=O)NCC3=CC=CC=C3OC 1 1.641 2 4 0 -16.5920850806088 3237780 CC1=CC=CC(=C1)C2=C3C(=C4N2N=C(C=C4C)C)N(C(=O)N(C3=O)C)C 1 3.406 4 2 -4.24037677938274 3237779 CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)N2CCC3=CC=CC=C3C2)C 1 3.677 2 3 -12.2158849820682 3237778 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N(CCCN3CCOCC3)CC4=CC=CO4 1 1.614 4 4 0 -10.1288690861344 3237777 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NC2CCCC2)C3=CC=CO3 1 2.838 2 4 -18.9616278420463 3237775 C1CC(CCC1CNS(=O)(=O)C2=CC=CS2)C(=O)NCC3=CC=CS3 1 2.802 2 3 -20.5081203934192 3237774 CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)N=C2N(C3=CC=CC=C3S2)C 1 2.104 4 4 0 -11.8120781484758 3237772 COC1=C(C=C(C=C1)NC(=O)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)OC 1 2.3 2 7 0 -12.4411854090461 3237770 C1CC2C(=O)N(C(N2C1)C3=CN=CC=C3)C4=CC(=C(C=C4)Cl)Cl 1 3.538 3 1 -1.14248360982577 3237769 C1CC(CN(C1)C(=O)NC2=CC=CC=C2C(F)(F)F)O 1 2.044 2 2 -6.51874830196018 3237768 CC1=CC=C(O1)C2=C(N3C=CC=NC3=N2)NC4=CC5=C(C=C4)OCCO5 1 3.548 4 3 0 -2.01591300159282 3237767 COC(=O)NC1CSCC1OC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.143 2 6 0 -11.8954271463665 3237765 CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4OC 1 4.558 5 2 0 -25.5615034872801 3237764 CC1CCCN(C1)C2=NC3=C(C(=O)S2)SC=C3 1 3.426 2 1 -10.6534159282745 3237763 CCN1CCCC1CNC(=O)C2=CC3=C(O2)C4=CC=CC=C4N=C3C 1 3.079 3 2 -10.6697672811269 3237762 C1CC(C2=CC=CC=C2C1)NC(=O)CCN3C=CC=C3 1 3.036 2 1 -9.38335182393018 3237759 COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CC2=CC=CC=C2 1 2.398 1 4 -11.5368863098937 3237758 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC=C5F 1 4.056 2 4 1.4137908566869e-002 3237757 CC1=NN(C2=CC=CC=C12)CC(=O)O 1 1.443 2 2 0 -6.03970795259495 3237756 CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)N4CCC(CC4)C(=O)N)C 1 2.465 4 2 -0.96660127664165 3237755 CCOC(=O)N1CCC(CC1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 1.075 4 4 0 -9.16068245330008 3237754 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=C(C=C(C=C3)Cl)Cl 1 3.574 4 1 -1.00808813614325 3237752 CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)NCC4=CC=CO4 1 3.018 3 3 7.22887385552733 3237750 CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)N(C4=O)C)C 1 2.586 4 4 0 -26.4826131043792 3237748 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCC(=O)N3CCC4=CC=CC=C43 1 2.002 3 3 -14.0115703052533 3237746 CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)NC2=CC=C(C=C2)N(C)C)C 1 3.552 3 3 -10.3712448957588 3237745 CC(=O)N1C(OC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 2.725 1 3 -3.54607868738407 3237742 CN(CC1=CC=CC=C1)C(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br 1 4.268 2 2 -2.77374441885755 3237741 C1CCN(CC1)C2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC=C(S3)Br 1 1.389 3 3 0 -8.52047766577083 3237740 COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)CCN3C(=O)COC4=CC=CC=C43 1 1.885 4 4 0 -11.0577910368721 3237739 CC1=C(N=C(O1)C2=CC=CC=C2F)CSCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.178 2 4 -3.40425619294535 3237736 COCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2 1 0.255 2 3 0 -19.8481892362888 3237735 C1=CN(N=C1)S(=O)(=O)C2=CC=C(S2)Br 1 1.985 2 2 0 -4.30524009853916 3237734 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)N4C=C(N=C4S3)C5=CC(=CC=C5)OC 1 3.431 4 4 0 -4.1233884557788 3237732 COC1=CC=CC(=C1)N2C3=C(C(=O)N(C=N3)CC(=O)NC4CCCC4)N=N2 1 1.713 6 3 0 -12.3173364496367 3237731 COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)NC2=S)OC 1 3.659 3 5 0 -17.8430316646726 3237729 CC1=CC=C(C=C1)N(CN2CCCC2=O)C(=O)C3=CC(=C(C=C3)C)C 1 3.915 2 2 -12.9360875245701 3237727 CSC1=C(C(=NS1)SC)NC(=O)OCC2=CC=CC=C2 1 3.936 2 2 -5.88669432931468 3237725 COCCNC(=O)C1=NOC(=C1)C2=CC(=C(C=C2)OC)OC 1 1.566 2 5 0 -12.2526881735118 3237724 CCC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.602 2 4 -11.3760696900618 3237723 COC1=CC=CC(=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.282 2 3 -10.731986724618 3237720 CC(C)(C)C1CCC2=C(C1)C(=NO2)C(=O)NCC3=CC=C(C=C3)F 1 4.258 2 2 -16.3048263195759 3237719 CCC1=CC=C(C=C1)NC(=O)CN2C=C(N=N2)C(=O)OCC 1 2.224 4 3 0 -17.5148354020278 3237718 C1=CC=C2C(=C1)C(=O)N(C(=O)N2CC3=CC=C(C=C3)F)CCCCC(=O)NCC4=CC=CO4 1 3.616 3 4 0 -14.9805921579803 3237717 COC1=C(C=C(C=C1)C2=NOC(C2)C(=O)N3CCOCC3)OC 1 0.666 2 5 0 -13.4961296651729 3237716 C1CCN(CC1)C(=O)CSC2=NN3C(=NN=C3C4=CC=C(C=C4)F)C=C2 1 3.247 5 1 -10.1554884976084 3237715 COCCCNC(=O)CCN1C(=O)COC2=CC=CC=C21 1 6.5e-002 2 4 0 -17.7669532312875 3237714 COC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)C(F)(F)F)OC 1 5.028 4 2 6.15309513368333 3237712 CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=CC=CO4 1 3.046 6 3 0 -22.3642526530675 3237711 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=CC=C4 1 1.543 5 4 0 -27.8035883565498 3237710 CC1=CC2=CC(=O)NC(=C2C(=C1)C)C 1 1.627 1 1 0 -8.49990719307517 3237709 CCSC1=NN2C(=NN=C2C3=CC(=CC=C3)F)C=C1 1 3.413 4 0 -0.609714779148927 3237708 CCCCCNC(=O)CCN1C2=CC=CC=C2OC1=O 1 2.639 2 3 -14.0889515034374 3237707 C1CN(CCC12OCCO2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 1 3.442 2 3 -8.00102217512485 3237706 COC1=CC=CC=C1N(CN2CCCC2=O)C(=O)C3=CC=CC=C3F 1 2.645 2 3 -16.7183896859065 3237705 CC1(CCC(=O)N1CCC2=CCCCC2)C(=O)NC3CCCC3 1 3.071 2 2 -11.1473689180357 3237702 CC1CCCC(N1CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3)C 1 1.369 4 3 0 -19.9235476735292 3237699 C1COCCN1C(C2=CC=CO2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 4.411 1 3 -7.31922402318082 3237697 CC1(CC2=NN(C(=C2C(=O)C1)N)C3=CC=CC=C3)C 1 2.42 3 1 -7.66400547867613 3237696 CC1=CC=C(C=C1)CNC(=O)NC2=CC=CS2 1 2.802 2 1 -7.03463061049335 3237695 CCCCC(=O)N(C1CS(=O)(=O)C=C1)C2=CC=C(C=C2)OC 1 2.099 1 4 -6.51153464892396 3237694 CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC3=C(ON=C3C)C)C#N 1 4.033 3 2 -24.925751268116 3237693 C1COCCN1CCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4 1 1.736 3 4 0 -6.21557514608956 3237692 C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4 1 3.001 4 3 0 -12.7161829392445 3237691 C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)N3CCCC3 1 3.418 2 1 -11.3154823040076 3237689 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CC3=CC=CN3C 1 2.95 5 1 -15.5126864232833 3237687 CC1=NC2=NC=NN2C(=C1)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 3.796 6 0 1.16474975366996 3237686 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 1.593 5 4 0 -19.1678026008675 3237683 CCC1=CC=CC=C1NC(=O)CN2C3=CC(=CN=C3N4CCCC4C2=O)Cl 1 2.612 4 2 -6.95587000594534 3237682 CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)C(S3)C)C)C(=O)OC)OC(=O)C 1 2.791 2 6 0 -27.8765758030987 3237681 C1CN(CCC1C(=O)NCC2=CC=CO2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 -0.529 3 6 0 -20.5623678431682 3237679 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)NCC3CCCO3)Br 1 1.839 2 5 0 -28.4233069769088 3237676 C1CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CSC=C4)C(=O)C1 1 3.269 3 1 -19.487396278549 3237675 CCCOC1=C(C=CC=C1OC)C2CC(=O)NC3=CC(=C(C(=C23)OC)OC)OC 1 3.35 1 6 0 -9.22461578154778 3237674 CCOC(=O)CNS(=O)(=O)C1=C(ON=C1C)C 1 -0.321 2 5 0 -12.8570879400299 3237673 CC(=O)C1=CC(=CC=C1)NC(=O)C2=NC=CN=C2C(=O)O 1 0.54 3 4 0 -11.0464195349188 3237672 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCCC(=O)N3CCN(CC3)C4=NC=CC=N4)C 1 2.1e-002 7 3 0 -24.8431668656612 3237671 COC1=CC=CC(=C1)C(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4CCCO4 1 2.574 2 5 0 -13.0911251772834 3237670 CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3CCCCC3)NC1=O 1 2.881 4 3 0 -13.680423866687 3237669 COC1=CC=CC(=C1)C2=NOC(C2)C(=O)NC3CCCCC3 1 2.647 2 3 -4.49338259054347 3237665 CC1=CC=C(C=C1)N2C=C(NC2=S)C(C)(C)C 1 4.203 2 0 -2.18720932131474 3237660 C1CCN(CC1)C2=NN(N=C2C#N)C3=CC=CC=C3 1 2.712 5 0 -3.17509954050045 3237659 CC1CCCC(N1CCNC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)C)C 1 3.01 4 2 -12.64138441019 3237658 CC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC5=C(C=C4)OCO5 1 4.248 2 5 0 -0.537212128256931 3237657 COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC=C(C=C3)OC)C(=O)NCC4=CC=CO4 1 3.11 2 5 0 -12.7654504903937 3237656 C1=CC=C2C(=C1)C=C3N2C=NN(C3=O)CC4=CC=CC=C4F 1 3.584 3 1 -0.151107212196916 3237655 CC(C)CCN1CC(CC1=O)C(=O)NCCC2=CCCCC2 1 2.641 2 2 -21.2658916107749 3237653 CC1CN(CC(O1)C)CC2=NC3=C(N2CCN4CCOCC4)C(=O)NC(=O)N3C 1 0.23 6 4 0 -12.3677551147621 3237652 CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)F 1 2.215 3 4 0 -17.0039684194852 3237651 CCN(CC)C(=O)C1=NOC(=C1)C2=CC=CC=C2OC 1 2.617 2 3 -8.74503031036748 3237650 CC1=C(NC(=C1C(=O)NC2CCCCC2)C)C(=O)N3CCCCC3 1 3.244 3 2 -12.24980965376 3237649 CC(C)NC(=O)C1CCCN(C1)S(=O)(=O)C 1 -8.9e-002 2 3 0 -20.4368316542505 3237644 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)F 1 4.838 4 2 -3.99730121568584 3237643 CC1=CC=C(C=C1)CNC(=O)CCCNS(=O)(=O)C2=CC=CC3=NON=C32 1 2.009 4 4 0 -19.8104838318764 3237642 CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.913 2 6 0 -18.0361566099922 3237640 COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)N3CCCCCC3)OC 1 2.916 1 4 -7.83045835278312 3237638 CCC1CCCCN1CCCNC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3 1 2.732 4 2 -11.5013625443221 3237637 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C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O 1 3.787 3 3 -2.81911932615166 3237623 CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=C(NC(=O)NC2=O)C 1 -0.102 3 6 0 -18.4111066160039 3237621 COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N4CCCCC4 1 3.435 2 6 0 -11.6795727715204 3237620 C1CN(CCN1CCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S)C5=CC=CC=C5F 1 4.028 5 2 0 -0.894351708476854 3237619 CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)CC 1 0.649 2 3 0 -23.3589235768495 3237618 C1=CC(=CC(=C1)OC(=O)C2=CC=CO2)NC(=O)C3=CC=CO3 1 2.837 1 5 -7.09645915281557 3237617 CC1=C(NC2=C1C(=O)CCC2)C(=O)OCCOC3=CC=CC=C3 1 3.58 1 4 -11.3344672110937 3237616 CCN(CCCNC(=O)CCNC(=O)CN1C=NC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 1.546 5 3 0 -22.8401973491745 3237615 CN1C(=CC2=C1C3=CC=CC=C3O2)C(=O)NCC4=C(C(=CC=C4)OC)OC 1 3.974 2 4 -5.54387069026316 3237614 CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=C(ON=C3C)C 1 2.732 3 6 0 -19.025904062583 3237613 CC1=CON=C1NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CS4 1 3.632 3 2 1.09734018921837 3237610 C1CN(CCN1C2=CC=CC=C2)C(CNS(=O)(=O)C3=CC=CS3)C4=CN=CC=C4 1 2.757 4 2 -15.0273242177387 3237608 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CO4 1 3.477 2 3 -9.8355347318837 3237607 CC1=CC=C(C=C1)N(CC(=O)NC2=NC=C(C=C2)C)S(=O)(=O)C3=C(N(N=C3C)C)C 1 2.598 5 3 0 -14.8269383928421 3237605 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.381 1 6 0 -2.71594257474566 3237603 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CC5CCCO5 1 2.156 4 5 0 -12.8648613933862 3237602 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2)S(=O)(=O)C 1 0.423 2 4 0 -18.5330211616797 3237601 C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)CC3=CC=CS3 1 2.189 1 3 -7.39346841567108 3237600 CC1=C2C=NN(C(=O)C2=C(N1CCCC(=O)N3CCN(CC3)C4=NC=CC=N4)C)C5=CC=CC=C5 1 1.813 7 2 0 -10.212939798974 3237599 C1=CC=NC(=C1)CNC(=O)CCNC(=O)C2=CC=C(O2)Br 1 0.957 3 3 0 -19.3109151899823 3237597 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2CCCCCC2)C 1 3.573 2 3 -12.3764962767856 3237596 C1CCC(CC1)N2CC(=O)N(C(C2=O)C3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5 1 3.665 2 4 -7.70499272604557 3237595 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3CCCCCCC3)OC1=O 1 3.227 2 4 -7.53291471904 3237594 CCN1C2=CC=CC=C2N=C1CCNC(=O)C3=CC(=C(C=C3)OC)OC 1 3.1 3 3 -13.3146928542803 3237545 COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)N4CCCC5=CC=CC=C54)N=N2 1 4.075 6 2 0 -14.5946426432767 3237546 C1CCC(C1)N2C(CCC2=O)C(=O)NC3CC3 1 0.922 2 2 0 -11.6430922166629 3237547 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)N2CCC3(CC2)OCCO3 1 1.427 1 5 0 -13.6362210183501 3237549 COC1=CC=CC(=C1)C2=NOC(C2)C(=O)N3CCOCC3 1 0.682 2 4 0 -8.08012478857299 3237550 C1=CC2=C(C(N(C2=O)CC3=CC=C(C=C3)F)O)N=C1 1 1.73 2 2 0 -2.11539339792193 3237551 COC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC=CO4 1 3.373 2 5 0 -1.04133324782027 3237552 CCOC1=C(C=C(C=C1)CCNC(=O)C2CC(=O)N(C2)C3CCCC3)OCC 1 2.704 2 4 -21.3936065515427 3237553 CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=CC(=CC=C3)NC(=O)C 1 1.114 3 5 0 -14.5036247463979 3237554 C1CCN(CC1)C(=O)CCCCCN2C(=O)C3=C(C=CS3)NC2=O 1 2.388 3 3 -13.9797232739495 3237555 C1CCN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3 1 -0.25 4 3 0 -16.7619523746832 3237556 C1CSC2=CC=CC=C2N(C1=O)CC(=O)N3CCC4(CC3)OCCO4 1 0.962 2 4 0 -12.2857154367208 3237557 C1CN(C(=O)N1CC2=CC=CC=C2Cl)CC(=O)O 1 1.329 2 3 0 -8.95294750492452 3237558 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4O3 1 3.31 1 3 8.69265160388754 3237593 CCCOC1=CC=C(C=C1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C 1 2.724 3 3 -11.0566295195311 3237592 CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32 1 2.142 3 5 0 -15.6514025264561 3237591 CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=N2)C 1 3.598 2 2 -5.26340803188708 3237590 CC(C)NC(=O)C(C)N1C=CC=C1C(=O)C2=CC=CC=C2 1 3.095 2 2 -11.4647815143504 3237589 CCOC(=O)C1=C(N=CC=C1)SCC(=O)N(C)C2=CC=CC=C2 1 2.806 2 3 -15.4736995989763 3237588 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC(C)C)C(=O)O 1 2.283 2 4 -17.7362941435858 3237586 CC(=O)C1=C(NC(=C1)C2=CC=CC=C2)N3CCOCC3 1 2.447 2 2 -1.92102625300444 3237585 C1CN(CCC12OCCO2)C(=O)CN3C4=CC=CC=C4N=C(C3=O)C(F)(F)F 1 1.458 3 4 0 -11.9120060501684 3237584 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC3=CC=CC(=C3)C 1 4.389 1 2 -0.858139119719822 3237583 CCOC1=CC=CC(=C1OCC)C2C(=C(OC3=C2C(=O)N(C(=C3)C)CC4=CC=CC=N4)N)C#N 1 2.405 4 4 0 -14.739638396891 3237582 CC1=CC(=NC(=N1)OC2=CC=C(C=C2)C(=O)OC)OC3=CC=CC=C3 1 4.369 2 4 -6.26395954693476 3237581 C1CCC(CC1)N2C(CCC2=O)C(=O)NCCN3CCOCC3 1 0.714 3 3 0 -15.81306916008 3237580 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)OCC 1 1.223 3 5 0 -27.8437543090216 3237579 CC1=CC=C(O1)C2=C(N3C=CN=CC3=N2)NC4=CC5=C(C=C4)OCCO5 1 2.782 4 3 0 -0.195056315547153 3237577 CCOC(=O)N1CCN(CC1)C(=O)NC2=C(C3=C(S2)N=C4CCC(CCN4C3=O)C)C 1 2.383 5 4 0 -18.1585522099514 3237576 C1CN(CCN1CCCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=O)C4=CC(=CC=C4)Cl 1 2.573 5 3 0 -9.79850843776887 3237575 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=C(NN=C3C)C 1 2.722 4 5 0 -17.4403250122968 3237574 CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCCN3CCCC3)C4=CNC5=CC=CC=C54 1 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-17.6656724107472 3237378 C1CC(C1)C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)NCC4COC5=CC=CC=C5O4 1 2.819 2 5 0 -14.8392269419086 3237374 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)N4CCC5=CC=CC=C54 1 1.745 3 5 0 -25.7015706787874 3237371 C1CC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=CC=N4 1 2.445 3 1 -7.34532143851209 3237370 CC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3CC=C)O 1 4.565 2 2 -4.97534979591399 3237369 CC1=C(SC2=NC(=CN12)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)OC 1 3.462 3 3 -2.17616743060281 3237366 CC1=NC(=CS1)CCNS(=O)(=O)C2=CC=CS2 1 1.29 2 2 0 -8.2419014860202 3237365 CC1C(NC(C(C1=NO)C)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C 1 4.089 4 1 -1.15332572169758 3237363 C1CN(CCN1C2=CC=CC=N2)C(=O)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Cl 1 2.849 5 2 0 -1.85537009210074 3237362 CC1N(C2=CC=CC=C2C3=C(O1)N=C(N=N3)SC)C(=O)C4=CC=CC=C4 1 4.085 4 2 -7.20435788961549 3237360 CC(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)OC(C)(C)C 1 1.248 4 5 0 -18.6464845979009 3237359 CC(C)OCCCNC(=O)C1=CC2=C(S1)CS(=O)(=O)C2 1 1.013 1 4 0 -15.8105297079399 3237358 CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCCCOC)C 1 1.396 2 4 0 -12.8697821696463 3237357 C1CCN(CC1)C2=NC3=C(C=CC=C3S2)F 1 3.12 2 0 2.09097839557153 3237356 CC1=CN=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(NN=C3C)C 1 0.95 5 3 0 -12.3871728759457 3237355 CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3OC 1 1.975 3 5 0 -13.0143407720979 3237354 CCOC1=C(C=C(C=C1)C(=O)NC2=NC=C(C=C2)Cl)Cl 1 3.664 2 2 -4.68283572550254 3237352 CC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)C3CCCCC3 1 3.048 4 2 -6.71154313147449 3237350 COC(=O)NCC1=CC=C(C=C1)CNC(=O)OC 1 1.371 2 4 0 -6.67011582531847 3237349 CCN1C2=C(C=C1C(=O)NCC3=CC=CC=N3)SC=C2 1 2.779 3 1 -8.009724951952 3237348 CCN(C1=CC2=C(C=C1)OCO2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br 1 3.311 1 5 -15.2526766021327 3237347 COC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3C4(C2=O)OCCCO4 1 1.408 2 5 0 -15.2868483523747 3237346 CC1=CC=CC(=C1)C2N3CCCC3C(=O)N2C4=NC=CS4 1 2.844 3 1 -1.02611233082736 3237344 CCC(C)NC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.219 4 3 0 -19.9193030785868 3237343 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)NCC3=CC=CO3 1 1.54 2 4 0 -14.9801117614356 3237342 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.924 3 3 -12.3439944600091 3237341 C1=CC=C(C=C1)NC(=O)N(CC2=CN=CC=C2)CC3=CC=CO3 1 2.35 3 2 -8.16197593954967 3237340 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=NOC(=C3)C4=CC=CO4 1 3.363 4 3 0 -7.32006820730676 3237339 COC1=CC=C(C=C1)C2CC(=O)N3C(=C2C#N)SCC3(C4=CC=CC=C4)O 1 3.276 2 3 -9.41841292682592 3237338 CN1C=C(C2=CC=CC=C21)CC(=O)NC3=CC=CC(=C3)C#N 1 3.027 3 1 -6.47772648704555 3237337 COC1=CC=CC=C1N(CN2CCCC2=O)C(=O)C3=CC(=CC(=C3)OC)OC 1 2.407 2 5 0 -18.7874430379882 3237336 COC1=CC=CC(=C1OC)C2N3CCCC3C(=O)N2C4=CC=CC=N4 1 2.716 3 3 -5.35002941130351 3237335 CCOC(=O)C1CCCN(C1)C(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 6.9e-002 3 5 0 -21.7106834265113 3237333 CC1=CSC2=NC(=CN12)CNC(=O)C3=CC=CO3 1 0.986 3 2 0 -6.23711561840648 3237332 CCOC1=CC=CC=C1C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=CC(=C4)C)C(=O)N 1 3.105 5 3 0 -3.87995292800729 3237330 CC(C)CCNC(=O)CN(C)S(=O)(=O)C1=CC=CC2=NSN=C21 1 1.715 4 3 0 -17.3211370286598 3237329 C1COCCN1C(=O)OC2=CC=C(C=C2)C3C(=C(OC4=C3C(=O)OC5=CC=CC=C54)N)C#N 1 2.253 3 6 0 -16.9182151897741 3237327 CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)NCC3=CC=CO3 1 2.719 2 4 -3.25521926748251 3237326 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 1.93 2 5 0 -28.2768935150238 3237325 C1CCN(CC1)C2=NC3=C(C=C(C=C3S2)F)F 1 3.325 2 0 4.11611484587138 3237323 COC1=CC=CC(=C1)NC(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)F 1 2.965 4 2 -2.25523641425595 3237322 C1CN(CCN1C2=CC=CC=N2)C(=O)CNC(=O)CN3C=NC4=CC=CC=C4C3=O 1 0.299 6 3 0 -15.3785233531966 3237320 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NOC(=C3)C4=CC5=C(C=C4)OCO5 1 4.333 4 4 0 -8.14102122147932 3237318 C1=CC=C(C=C1)C(=O)NC2(C(=O)C3=CC=CC=C3C2=O)O 1 1.785 1 4 0 -6.22177621769142 3237317 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCC(=O)N(C)CC3=CC=CO3 1 1.116 3 4 0 -13.2648901168163 3237316 CCN1C2=CC=CC=C2SC1=NC(=O)CSC(=O)C 1 2.763 2 2 -4.23004926215041 3237315 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F 1 3.227 2 3 -16.3770010718937 3237314 CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)O)C(=O)OC 1 3.664 1 3 -1.92897141132343 3237312 CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl 1 2.907 4 4 0 -2.64305179945999 3237311 CC1=CC(=O)OC2=C1C=CC(=C2NC(=O)C)OC(=O)C 1 1.234 1 5 0 -6.38978121457174 3237310 CCOCCCNC1=NC(=S)NC2=CC(=C(C=C21)OC)OC 1 2.444 3 3 -10.3733664772566 3237308 CC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CO2 1 2.026 2 5 0 -19.3395634661613 3237306 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NOC(=C3)C4=CC5=C(C=C4)OCO5 1 3.333 3 4 0 0.144441968047291 3237305 CC1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NCCN3CCN(CC3)C 1 2.065 3 3 -6.16990932259158 3237304 C1CC2=C(C(=O)C1)C(=NN2)C3=CN=CC=C3 1 1.461 3 1 0 -3.59720082819719 3237303 CC1=CC(=NN1CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC5=CC=C(C=C5)C#N)C 1 4.657 7 0 0 -15.0242288368444 3237302 C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)NCC4=CC=CO4)C(F)(F)F 1 3.759 3 3 3.23309758653029 3237301 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CNC4=C(C3=O)C=C(C=C4)S(=O)(=O)N5CCOCC5 1 0.41 5 5 0 -21.3671761801645 3237300 CC1=CC(=NO1)C(=O)NCC2=CC=CC=C2 1 1.649 2 2 0 -14.6480585849186 3237299 CN1CCN(CC1)CCCNC(=O)NC2=CC=CC3=CC=CC=C32 1 2.013 4 1 -6.5273803588509 3237298 COC1=CC=CC=C1C2N3CCCC3C(=O)N2C4=CC=C(C=C4)Cl 1 4.008 2 2 -1.81968340612484 3237297 COC1=CC=CC=C1CNC(=O)CCS(=O)(=O)C2=CC=CS2 1 2.017 1 4 -20.8241427942623 3237296 CCCCC(C1=NC2=CC=CC=C2N1CCCC)NC(=O)C 1 4.121 3 1 -11.7577615430896 3237295 CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)C)C2=CC(=CC=C2)OC 1 1.594 2 4 0 -17.8370924128445 3237293 CCOC1=CC=CC=C1CNC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4O3 1 3.17 3 3 -13.1735438912178 3237292 COC1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)C(=O)O)O 1 2.548 0 6 -4.47109690663756 3237290 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCC2=CC3=C(C=CC(=C3NC2=O)OC)OC 1 2.107 3 6 0 -22.5795582451582 3237289 CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3 1 2.921 2 3 -18.2341882730725 3237288 CC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)F)C(=O)NCC4=CC=CC=N4 1 2.884 4 1 -3.11823854653674 3237287 CC1=CC=C(C=C1)CN2C(CCC2=O)C(=O)NCCN3CCOCC3 1 0.926 3 3 0 -15.0090926980683 3237285 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 0.164 4 4 0 -11.4736890975498 3237284 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3CCCC4=CC=CC=C34)OC1=O 1 2.364 3 5 0 -13.9957735935897 3237283 C1CCC2=C(C1)C(=NO2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.344 3 2 -8.01046913336569 3237282 CC1=C(OC(=N1)C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 2.865 2 2 0.66451637067642 3237281 C1C(C(OC1=O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 1.993 1 5 0 -6.22539791483181 3237279 CC1CN(CC(O1)C)C(C2=CC=C(C=C2)C)C3=C(N4C(=NC(=N4)C)S3)O 1 3.409 4 2 -5.25348435037351 3237278 CC(C)C(C(=O)NC1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3CCCCC3 1 3.581 3 2 -12.4107340043394 3237276 CC1=CC2=C(O1)C=C(N2CC(=O)NC3=C(C(=C(C=C3)OC)OC)OC)C(=O)OC 1 2.604 2 7 0 -10.5621110501664 3237275 CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCOCC3)C 1 1.92 1 6 0 -11.5636226161017 3237274 CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC(=CC=C2)OC 1 0.966 2 4 0 -21.2282063258456 3237273 C1CN(CCN1CCNC(=O)CCC2=NC(=NO2)C3=CC=CC=C3F)CC4=CC=CC=C4 1 2.789 5 2 0 -12.5136258235542 3237272 COC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)F)C#N 1 1.958 2 3 0 -19.8302931217251 3237271 CCC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4CCCCC4 1 3.286 3 3 -22.0111690259575 3237270 CCC(C)NC(=O)C1CCC(=O)N1CC2=CC=C(C=C2)C 1 2.349 2 2 -15.1988131509894 3237268 CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)C3=C(C=CC=C3F)F 1 3.73 3 1 -6.1652154980921 3237267 C1=CC=C2C(=C1)C(=O)N(C(=O)N2CC3=CC(=O)N4C=CC=CC4=N3)CCC(=O)NCC5=CC=CO5 1 0.794 5 5 0 -25.891455968528 3237266 CC1=CC(=NC(=N1)NCC2=CN=CC=C2)C(F)(F)F 1 1.994 4 0 0 -1.51100112699617 3237265 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NC(C)C3=CC4=C(C=C3)OCCO4 1 2.251 5 3 0 -26.6659305191915 3237263 CC[N+](CC)(CCCN1C(=O)C2CC=C(CC2C1=O)Cl)CCO.[Br-] Br- 1 -0.328 2 3 0 -3.06725648523885 3237262 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC(=O)C4=CC=C(C=C4)Br 1 3.361 5 3 0 -14.0213619421946 3237260 CC1=CC=CC=C1CC2=C(N3C(=NC=N3)N=C2C)C 1 3.266 4 0 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CC1=C(C(=NC2=C(C=NN12)C(=O)O)C)CC3=CC=CC=C3F 1 2.478 3 2 -13.4253458069389 3237055 CC(C1=CC=CC=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2 1 1.849 3 2 0 -20.9090602413412 3237054 CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NC2=CC3=C(C=C2)OCCO3)C 1 2.827 2 5 0 -11.3102810195204 3237053 C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C4=CC=CC=C4OC3=O 1 3.281 1 3 -9.01587111169369 3237052 COC1=CC=CC(=C1)C2=NOC(C2)C(=O)NCC3=CC=C(C=C3)F 1 2.578 2 3 -3.89916540219485 3237050 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC(=O)C3=CC(=CC=C3)Br)CC4=CC=CO4)OC 1 3.713 2 6 0 -10.5585139404197 3237048 C1=CC=C(C=C1)COC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F 1 2.803 4 3 0 -5.0106458738953 3237047 CCC(C)NC(=O)C1=CN(C(=O)C2=CC(=C(C=C21)OC)OC)C 1 1.318 2 4 0 -19.464480822743 3237044 CCOC1=CC=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)N3CCC4=CC=CC=C43 1 2.128 3 4 0 -14.4761762448904 3237043 C1CC(OC1)CNC(=O)CCCCN2C(=O)C3=C(C=CS3)NC2=O 1 1.168 3 4 0 -22.4918139964165 3237040 CCOC(=O)CNC1=NC(=NC(=N1)N2CCOCC2)OCC#N 1 -0.155 6 4 0 -11.0348879980627 3237038 CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)CC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6 1 2.511 5 5 0 -7.36512737201231 3237037 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=CC=N4 1 3.534 4 2 -0.630359999672266 3237036 CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C(=O)N4C)C 1 1.608 3 4 0 -10.0892017972162 3237035 CC1CCCC(C1C)NC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCC4)C 1 2.742 3 4 0 -20.4739172306759 3237034 CC1=CC=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5 1 3.737 3 3 -5.67000792376458 3237032 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)OC 1 0.96 2 5 0 -18.6642030862049 3237031 C1CN(CCN1CCCNC(=O)CCN2C3=CC=CC=C3OC2=O)C4=CC=C(C=C4)F 1 2.89 4 3 0 -7.60058134891684 3237030 CCCCNC(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CCCN(CC)CC)OCO3 1 3.291 4 4 0 -22.5971577203924 3237029 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC4=C(C=C3)OCO4 1 1.066 5 4 0 -13.8256618063751 3237028 CCCCCNC(CC(=O)NC1=CC=C(C=C1)OC)C(=O)O 1 -0.651 2 4 0 -11.6441183948791 3237026 C1=CC(=C(N=C1)C(=O)O)C(=O)NCC2=CC=CS2 1 1.269 2 3 0 -13.497342325434 3237024 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)N2CCOCC2 1 1.05 1 4 0 -12.9254971543405 3237023 COC1=CC=CC(=C1)N2C(=O)CC(C2=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 1.583 3 5 0 -10.9524536140092 3237022 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCOCC4 1 1.294 3 5 0 -27.5954325230248 3237021 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCC2CCCO2 1 1.515 1 4 0 -19.3910291466582 3237019 CC1CC(CN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)OC)C 1 1.764 3 4 0 -17.7877153810903 3237018 COC(=O)C1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3=CC=CC=C3Cl 1 2.51 3 4 0 -2.14966000775091 3237017 CC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2F)C(=O)OCC=C 1 2.437 2 3 -16.1936096631348 3237016 C1COCCN1CCNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)Br 1 0.995 3 3 0 -14.0669120219951 3237015 CCS(=O)(=O)N1CCC(CC1)C(=O)NCCC2=CCCCC2 1 1.726 2 3 0 -24.6266184715466 3237013 CCCCN(CC)C(=O)CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)O 1 3.835 2 3 -8.32803136209504 3237011 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCCOCC 1 1.089 2 4 0 -22.3580741970003 3237010 CN1C=C(N=C1)S(=O)(=O)N2CCC3=CC=CC=C32 1 1.23 3 2 0 -11.256964953389 3237009 COC1=CC=CC(=C1)C2=NOC(=C2C#N)N 1 1.471 3 2 0 1.07323741284284 3237007 CC(=O)NCCN1C=CC2=CC=CC=C21 1 1.521 2 1 0 -10.6011008612678 3237006 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 0.853 3 5 0 -19.8105359709872 3237004 COCCCNC(=O)CSC1=NC2=CC=CC=C2C3=NC(C(=O)N31)CC4=CNC5=CC=CC=C54 1 3.292 5 3 0 -24.3604820707816 3237002 COCCCN1C(=O)C2=CC=CC=C2C3=CC=CC=C3C1=O 1 2.312 1 3 -4.70846572201067 3237001 CCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C 1 3.548 1 5 -15.4814584762307 3237000 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C(=O)C4=C(C=CS4)NC3=O 1 1.824 4 3 0 -7.0337649831255 3236998 CCC(=O)NCCC1=NC2=CC=CC=C2N1CC(=C)C 1 2.85 3 1 -13.331238999089 3236997 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2CCN(CC2)C(=O)OCC)C 1 1.621 3 5 0 -13.2114905328721 3236996 CN1C(=CC2=C1C3=CC=CC=C3O2)C(=O)N4CCC5=CC=CC=C5C4 1 4.287 2 2 -6.25071822014725 3236990 C1CCCN(CC1)C(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3 1 3.464 2 2 -10.0968497657972 3236989 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CC3=CC(=CC=C3)OC 1 1.887 3 3 0 -9.75041946682863 3236987 C1CCCC(CC1)N2C=NC3=C2C=CC(=C3)C(=O)O 1 3.495 2 2 -6.76197365334049 3236985 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=COC(=O)C4=CC=CC=C43 1 2.289 2 3 -2.91838986750485 3236984 C1=COC(=C1)CNC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)Cl 1 1.764 6 3 0 -19.6420288925781 3236982 CCN(CC)CCCNC(=O)CC1=C(N(C2=CC=CC=C21)C)C(=O)O 1 -0.643 3 3 0 -12.2325303321028 3236980 C1CCN(C1)C(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4)SC=C3 1 2.233 3 3 -13.5569541639521 3236979 COC1=CC=CC(=C1)C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4OC 1 3.931 3 4 0 0.521113899967163 3236977 CCC(=O)NC1=C(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)OCC 1 3.329 2 4 -0.678753843020276 3236976 C1=CC=C2C(=C1)C3=C(O2)C(=O)N(C=N3)CC(=O)NCC4=CC=CO4 1 1.376 3 4 0 -13.8480239156553 3236974 CC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5)N=N2 1 4.1 7 1 0 -8.84313422028306 3236973 CCOC1=CC=CC=C1CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3 1 2.725 2 4 -7.78053545913056 3236972 C1=CC=C(C=C1)C2=CC(=NN2C3=CC(=NC=N3)NCCO)C4=CC=CC=C4 1 3.909 5 1 4.41977190941404 3236971 CC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.215 3 4 0 -20.018769191053 3236970 COC1=C(C=C(C=C1)CCNC(=O)C2CC(=O)N(C2)C3CCCC3)OC 1 2.007 2 4 -20.1322972200713 3236968 CC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC4=CC=CC=N4)C)N 1 3.292 6 0 -7.82042012204461 3236966 CC1=CC(=NC(=C1C#N)SCS(=O)CC2=CC=CC=C2)C 1 3.475 2 1 -4.28482355003588 3236965 CC1=CC=C(O1)CNC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CNC5=CC=CC=C54 1 3.033 3 3 -7.99716571691946 3236964 C1CC(OC1)C(=O)N(C2CS(=O)(=O)C=C2)C3=CC(=CC=C3)Cl 1 1.534 1 4 0 -8.85167776376048 3236963 C1CN(CCC12OCCO2)C(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CO5)C6=CC=CO6 1 3.457 3 5 0 -3.06179998857579 3236962 COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.453 3 4 0 -2.96375754703911 3236961 CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)N3CCC4=CC=CC=C43 1 1.491 4 3 0 -18.9440836869994 3236959 C1CCC(CC1)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 1 4.473 4 4 0 -7.22514775927245 3236958 CCCCNC(=O)C1=C(N(N=N1)C2=CC=CC=C2)N 1 1.932 5 1 0 -15.8656703964495 3236955 CCOC1=CC=C(C=C1)N2C(=NC3=C2C=CC(=C3)C(=O)NCC4=CC=CO4)C 1 3.694 3 3 -10.0186870492041 3236954 CCSC1=NN=C(S1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C 1 3.612 5 1 -13.1718111686899 3236953 CCOC(=O)N1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 -0.146 5 5 0 -14.1200403902957 3236951 C1CN(CCC1C(=O)NCC2=CN=CC=C2)S(=O)(=O)N3CCC4(CC3)OCCO4 1 -0.861 4 5 0 -20.931770569035 3236949 C1CN(CCC12OCCO2)C(=O)CN3C4=CC=CC=C4C=N3 1 1.01 3 3 0 -10.9361867259483 3236948 CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.246 3 4 0 -9.55336518337135 3236946 CCOC(=O)N1CCN(CC1)C(=O)C2=NNC(=O)C3=CC=CC=C32 1 0.602 4 4 0 -14.0197675140532 3236945 CCCCC(=O)NC1=CC=CC(=C1)C2=CN3C=CSC3=N2 1 2.948 3 1 -4.70173032517287 3236944 CC1=C(C=C(C=C1)NC(=O)CC(C(=O)O)NCCN2CCOCC2)Cl 1 -1.443 3 4 0 -11.6632098003709 3236943 CCC(C(=O)OCC)SC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F 1 3.988 5 2 0 -11.044000699053 3236942 CC1=CC(=CC=C1)CN2CCNC2=O 1 1.463 2 1 0 -9.27855182397553 3236941 CC(C)C(=O)N(C1CS(=O)(=O)C=C1)C2=CC=C(C=C2)F 1 1.871 1 3 0 -1.79487067512255 3236940 C1CCC(=CC1)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.196 3 2 -8.45412850664765 3236939 CCCCC1=NC2=C(O1)C3=CC=CC=C3NC2=O 1 2.76 2 2 -4.48137253351543 3236938 CC1=CC=C(C=C1)NC(=O)C2CC(=NO2)C3=CC=C(C=C3)F 1 3.073 2 2 -3.28183062923278 3236937 CC1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C 1 1.019 3 4 0 -18.2848597970675 3236936 CCN(CC)S(=O)(=O)N1CCC(CC1)C(=O)NCCN2CCOCC2 1 -0.835 4 4 0 -21.8935219391426 3236933 C1CCC(C1)NC(=O)C2CCC(=O)N2C3CCCC3 1 1.834 2 2 0 -11.0298274865929 3236932 CCOC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(NC(=O)NC3=O)C 1 4.7e-002 4 6 0 -22.0200638073837 3236931 CN1C=C(C2=CC=CC=C21)SCC(=O)NC3=NC4=CC=CC=C4S3 1 4.133 3 1 -5.49563232158719 3236929 CC1=CC=C(C=C1)CN2C(=C3C=NN(C(=O)C3=C2C)CC(=O)NC)C 1 1.779 4 2 0 -11.7704244567414 3236928 C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CC4=CC=CO4 1 2.675 2 4 -3.30787347475219 3236925 CC1CCCC(N1C(=O)C2CC(=NO2)C3=CC=C(C=C3)F)C 1 2.889 2 2 -7.98760746350725 3236924 COC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=C(O3)Br 1 2.147 1 5 -4.46925186040052 3236923 CC1CCCCN1CCCNC(=O)CCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.792 3 5 0 -22.7546644792572 3236922 CC1C(=O)N2C(=N1)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl 1 2.564 5 2 0 -20.0904788127352 3236920 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3=CC4=C(C=C3)OCO4 1 3.181 1 6 0 -2.30126372883007 3236919 CCSCC1COC(=N1)C2=CC=CN2CC3=CC=C(C=C3)C 1 4.416 2 1 -7.99875501547577 3236917 C1=CC(=CN=C1)CNC(=O)CC(C2=CC=CO2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.047 3 4 0 -21.5347092559231 3236916 C1CCC2=C(C1)C(=NN2)C(=O)N3C=CN=C3 1 1.627 4 1 0 -6.05626712755034 3236915 CC1=CC=C(O1)CNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O 1 0.211 3 4 0 -21.2899227836828 3236914 CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CC4CCCO4 1 2.766 3 4 0 -19.1420528020864 3236913 CCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3CCCO3)C4CCCCC4)OC 1 2.783 2 5 0 -19.9693167896695 3236912 CCOC1=CC=CC=C1C(=O)N2CCN=C2SCC3=CN=CC=C3 1 3.073 3 2 -14.5062411669889 3236911 CCC1=NN=C(S1)NC(=O)CSC2=NC(=NS2)C3=CC=C(C=C3)OC 1 2.883 5 2 0 -15.3503775916745 3236910 CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3CCCO3)SCC#N)C 1 3.094 3 4 0 -33.6107437392064 3236908 CC1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N)C 1 2.927 5 3 0 -13.7307463631794 3236907 C1=CC=C(C=C1)P(=O)(CCP(=O)(O)O)C2=CC=CC=C2 1 2.636 0 4 -4.55500358857901 3236906 CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C 1 3.264 3 4 0 -11.3640776336914 3236905 CSC1=NCCN1C(=O)C2=CC=CC=C2F 1 2.514 2 1 -5.82736793384825 3236904 CCCN1CC2=CC=CC(=C2C1=O)C(=O)NCC3=CC=CC=C3 1 2.661 2 2 -13.1665097141307 3236903 COC1=CC=CC=C1N2CCN(CC2)C(CNS(=O)(=O)C3=CC=CC=C3)C4=CN=CC=C4 1 2.954 4 3 0 -15.1014587704973 3236901 CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCC3 1 1.563 4 3 0 -14.4255277794658 3236900 CC1=CC(=C(C=C1)OC)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3 1 3.509 2 4 -10.6145112876913 3236899 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CC1=CC2=C(S1)N=CN(C2=O)CC(=O)NCC(=O)N3CCN(CC3)CC4=CC=CC=C4 1 0.754 5 3 0 -14.4626087903383 3236476 CC1=CC2=C(O1)C=C(N2CC(=O)N3CCCC4=CC=CC=C43)C(=O)OC 1 3.39 2 4 -11.0064456462332 3236475 CCOC1=CC=CC=C1NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C 1 2.132 2 4 -13.7619463849455 3236474 CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CN3CCCC(C3)C(=O)NCC4=CC=CO4 1 3.331 3 3 10.8321667329703 3236473 COC1=CC=C(C=C1)N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.3 5 4 0 -25.6426001349339 3236471 CCOC1=CC(=C(C=C1)OCC)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 3.085 3 7 0 -21.5434010677027 3236470 CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4=C(C=C(C=C4)OC)OC 1 3.464 3 5 0 -23.039825214723 3236469 CC1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43 1 2.673 3 3 -9.85106585348586 3236467 CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)C3=CC=CC=C3F 1 3.524 3 1 -7.90745112548583 3236466 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3CCCCC3)CCN4CCOCC4 1 2.836 4 5 0 -28.1535404478374 3236465 C/C(=C(/C#N)\C(=O)N)/NCC1=CC(=C(C(=C1)OC)OC)OC 1 0.673 3 4 0 -16.7954053274479 3236464 CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=CC=C(C=C1)OC 1 -0.211 2 5 0 -17.8256123943151 3236463 CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NC3=CC=C(C=C3)C(=O)OC 1 1.936 5 3 0 -21.4494251950841 3236462 C1CCC(CC1)NC(=O)CSC2=NN=C(O2)CNC(=O)COC3=CC=C(C=C3)Cl 1 2.69 4 4 0 -23.0828821757866 3236461 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC(=CC=C3)F)CC4=CC=CO4 1 3.625 2 2 -5.82017112415455 3236460 CC1=CC(=CC=C1)NC(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)O 1 2.434 2 4 -3.60122237844169 3236459 CC1=C(NC2=C1C(=O)CCC2)C(=O)OC 1 1.948 1 3 0 -8.92375726848843 3236458 COC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CO3)C4CCCCC4 1 2.857 2 4 -8.09921380790944 3236457 CC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCCCC4 1 3.528 5 1 -10.8673655230736 3236456 CCOC(=O)CNC(=O)C1=CN(C(=O)C2=CC(=C(C=C21)OC)OC)CC(C)C 1 1.315 2 6 0 -20.2427251048935 3236454 COC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CO4 1 2.285 2 7 0 -22.8446444659451 3236453 C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 0.669 3 5 0 -24.0870632040389 3236451 CC1=CC(=CC(=C1)NC(=O)CN2C(=CC3=C2SC=C3)C(=O)OC)C 1 3.625 2 3 -7.9371488225931 3236450 C1CCN(C1)C(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)F)SC=C3 1 2.438 3 3 -12.5837739433446 3236449 CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=CS2 1 3.281 2 1 -6.57385154141129 3236448 COC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CC=C3 1 1.171 3 4 0 -13.7030529578887 3236447 CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CN=CC=C2)C(=O)OC 1 0.136 3 4 0 -14.3982870121604 3236446 CC1=C(C(CC(=O)N1)C2=CC=CC=C2OC)C(=O)OCC(C)C 1 2.488 1 4 -22.0213075971731 3236445 CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CC(=O)N3CCCC3)C 1 3.221 2 3 -7.57581435915799 3236444 CC1COC(=N1)C2=CC=CN2CC3=CC=CC=C3Cl 1 3.98 2 1 -3.63701538769144 3236442 COC1=CC=CC=C1C2=CC(=NO2)C(=O)NCC3=CC=C(C=C3)F 1 3.503 2 3 -7.44372107309149 3236441 CCOC(=O)N1CCN(CC1)C(=O)C2=C(NC(=C2)C3=CC=C(C=C3)F)C 1 2.707 3 3 -0.166730797954191 3236440 COC1=CC=CC=C1C(=O)N2CCN=C2SCC3=CN=CC=C3 1 2.725 3 2 -14.1255429553114 3236438 C1CN(CCN1CCC#N)CC2=C(C=CC(=C2)C3=CC=CC=C3)O 1 3.116 3 1 8.50938781528598 3236436 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.629 2 5 0 -21.5208222769769 3236435 CCN1C2=C(C=C1C(=O)N3CCCC(C3)C(=O)NCCC4=CC=C(C=C4)C)SC=C2 1 4.543 3 2 -10.9985067588408 3236434 CSC1=NCCN1C(=O)C2=C(C=CC=C2Cl)F 1 3.178 2 1 -6.36751433493903 3236433 CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)C3=NOC(=C3)C4=C(C=CC(=C4)OC)OC 1 4.6 4 4 0 -6.65601935742701 3236432 CC(=O)NC1=CC=C(C=C1)N2C(SCC2=O)C3=CC=C(C=C3)F 1 2.565 2 2 -14.9462954121714 3236430 C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)NCCC4=CC=CC=C4Cl 1 1.987 2 3 0 -14.7897070760288 3236429 CCC(C)NC(=O)C1=CC=C(C=C1)CNC2=C(C(=O)C2=O)N3CCC(CC3)C(=O)OCC 1 1.944 3 5 0 -15.2125482130468 3236427 CC1=CC(=CC=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCOCC4 1 1.454 3 5 0 -17.8084192730624 3236425 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)N4CCC5=CC=CC=C54 1 2.564 4 2 -19.0043129271204 3236423 C1=CN2C=C(N=C2N=C1)C3=CC=C(C=C3)Br 1 2.88 3 0 2.58883915691414 3236422 COC1=CC=CC=C1CN2C=NC3=C2N=CC=C3 1 2.167 3 1 -3.87894996884678 3236421 CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)N3CCC4(CC3)OCCO4 1 2.384 1 6 0 -7.99309605349705 3236420 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=O 1 3.409 4 4 0 -10.5569932580819 3236419 CC(C)(C)NC(=O)C1=C(C=CS1)C(=O)O 1 1.552 1 3 0 -11.9319076764277 3236417 CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)N4CCCC4)C 1 3.317 3 1 1.49914466827768 3236416 CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)C 1 2.847 5 3 0 -12.9162912853154 3236415 C1CCC(=CC1)CCNC(=O)CN2C3=C(C=N2)C(=O)OC4=CC=CC=C43 1 3.278 3 3 -20.0672900198734 3236414 CS(=O)(=O)N1CCCC(C1)C(=O)NCCCN2CCC3=CC=CC=C3C2 1 1.044 3 3 0 -21.4356292596631 3236413 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCOC 1 2.236 3 5 0 -15.5401675889747 3236411 C1CC1C(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)CC4=CC=CO4)C(F)(F)F 1 0.398 4 5 0 -11.3937272968033 3236410 CCC(C)OC(=O)C1=C(NC(=O)CC1C2=CC=CC=C2OC)C 1 2.546 1 4 -20.491266757613 3236408 CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCO4 1 1.111 4 4 0 -24.5008403172163 3236407 CC1=C(C(=CC=C1)C)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CCOC 1 2.623 2 3 -12.2947283871905 3236405 CC(=O)C1=CN=C2C=CC(=CC2=C1C(=O)OC)Br 1 2.36 1 3 -3.71127907911674 3236404 COC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N(CC=C)C4=CC=CC=C4 1 3.824 5 3 0 -26.9226739160212 3236403 CCC1C(=NC2=CC(=NN2C1=O)C3=CC=CC=C3)C 1 3.172 3 1 0.195325936234944 3236402 COC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)N3CCOCC3 1 1.278 2 4 0 -13.7808426946526 3236400 C1COCCN1C(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC=CC=C4 1 2.069 2 3 -12.1614496204824 3236399 C1CCC(CC1)N2C(C3=CC=CC=C3C2=O)C(=O)NC4CCCC4 1 3.453 2 2 -11.0890165873427 3236395 COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC4=C(C=CC=C4S3)OC 1 3.176 4 3 0 2.25095955863891 3236394 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C 1 2.477 3 4 0 -10.6754133262216 3236392 CC(C)OC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=N3 1 2.327 7 3 0 -27.8225828373362 3236391 CCOC(=O)C1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=O 1 0.96 3 5 0 -17.6706138901713 3236390 C1COCCN1SC2=NC3=CC=CC=C3N2 1 1.83 3 1 0 -1.05432865595248 3236389 CCCCCC1=NC2=C(O1)C3=CC=CC=C3NC2=O 1 3.216 2 2 -4.96763227852368 3236387 CCN(CCCNC(=O)CCNC(=O)CN1C=CC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 1.522 4 3 0 -21.7396109719814 3236386 CC1=CC(=CC=C1)NC(=O)CCN2C(=CC(=N2)C)C 1 2.278 3 1 -11.6865179333415 3236385 CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCC3=CC=C(C=C3)OC 1 1.995 3 3 0 -15.0277742827271 3236384 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3OC 1 -0.295 4 6 0 -28.1124576146219 3236383 CCOCCCNC(=O)C1CCN(CC1)S(=O)(=O)CC 1 -0.321 2 4 0 -26.8700559832523 3236381 CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C(=O)OCC)C 1 3.004 4 4 0 -10.8277553585752 3236380 CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(O2)Br 1 1.528 0 7 0 -14.7471797053394 3236378 CC(C(=O)O)N1C(=O)CSC2=C1C=CC=N2 1 0.738 2 3 0 -11.0698151909336 3236374 CC1=C(C=CC(=C1)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)C4=CC=CC=C4)OC 1 3.44 4 3 0 -11.7094053309596 3236373 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)O)Cl 1 2.242 1 3 6.70066333708314 3236372 C1CCC2=C(C1)C=CC=C2NC(=O)CCS(=O)(=O)C3=CC=CC4=NON=C43 1 3.323 3 4 0 -13.7322294377606 3236371 CCOC1=C(C=C(C=C1)CCNC(=O)CCN2C=CC=C2)OCC 1 3.007 2 3 -16.699546506941 3236370 CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=CS3 1 3.179 2 3 -19.1273560509795 3236369 CC1=CC=C(C=C1)N(CC(=O)NC2CCCCCC2)S(=O)(=O)C3=C(N(N=C3C)C)C 1 3.462 4 3 0 -14.8545912410089 3236368 CCOC(=O)CNC(=O)CN1C=NC2=C(C1=O)N=NN2C3=CC=C(C=C3)C 1 0.87 6 4 0 -18.9525090110511 3236367 C1CC(C1)C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 1 3.22 2 3 -22.0094251897183 3236365 C1=CC(=CN=C1)CNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=C(C=C3)Cl 1 2.724 2 4 -10.5228552874209 3236363 CCN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)NC3=C(C=CC(=C3)OC)OC 1 1.928 3 5 0 -10.1177588208295 3236362 C1CCN(CC1)C(=O)CS(=O)(=O)C2=CNC3=CC=CC=C32 1 1.832 2 3 0 -8.55960636167161 3236361 CC(=O)N(C1C(=O)N(C(=O)S1)C2=CC=CC=C2)C3=CC=CC=C3OC 1 3.204 2 4 -8.14620007843172 3236360 CN1C=CN=C1SCC(=O)C2=CC=C(C=C2)Br 1 3.01 2 1 -2.80041422366644 3236359 CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SC)C3=CC=CC=C3 1 3.372 2 3 -21.520543948183 3236356 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)OC 1 2.949 1 4 -3.95943507365131 3236355 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CN=C3N(C2=O)CCS3 1 0.934 3 6 0 -20.0484474497411 3236352 CC(=O)N1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC=C(C=C3)OC 1 3.073 2 3 -0.879939154553222 3236349 CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N 1 2.441 5 3 0 -11.5835043398023 3236347 CC1CC2=CC=CC=C2N1C(=O)CCS(=O)(=O)C3=CC=CC4=NON=C43 1 2.468 3 4 0 -14.5773765166583 3236346 CC1=C(C(N(C(=O)N1)C(=O)C)C2=CC=C(C=C2)Cl)C(=O)OCCOC 1 1.588 2 5 0 -20.9406991227168 3236345 C1CN(CCC1NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3F)CC4=CC=CC=C4 1 2.804 4 2 -8.77595844269231 3236344 CC(COC)NC(=O)C1=NOC(=C1)C2=CC(=CC=C2)OC 1 1.96 2 4 0 -7.26493541965761 3236343 C1CCC(C1)NC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 1 4.588 3 3 -2.3335420986581 3236342 CC1=NC2=CC=CC=C2C(=C1C(=O)OC)C(=O)O 1 1.784 1 4 0 -4.12343200715802 3236339 CC1=C(OC2=C1C(=O)CCC2)C(=O)NCC3=CC=CC=C3Cl 1 3.558 1 3 -10.4124986030157 3236338 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(N(N=C2C)C)C 1 2.368 3 2 -2.25345943469309 3236337 CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)N3CCCC3 1 0.232 3 3 0 -14.9398280513465 3236335 CN1C(=O)CSC2=C1C=C(C=C2)NC(=O)NCC3=CC=CO3 1 1.265 3 3 0 -12.0567835655737 3236334 CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CN=CC=C4)C(=O)C1)C 1 2.915 4 1 -19.4656788487501 3236333 CC1=CC(=CC=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 3.281 4 3 0 -15.9976701623869 3236332 CC(C(=O)OC)N1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)Cl 1 2.163 4 3 0 -5.88275019784782 3236331 CN(C1CCS(=O)(=O)C1)C(=O)COC2=CC(=CC=C2)Br 1 1.335 1 4 0 -14.3103562813727 3236330 CC1(OC(=O)C(=CNC2=CC=CC(=C2)C(=O)O)C(=O)O1)C 1 0.857 1 6 0 -8.65391905222953 3236329 CCN1C=C(C(=N1)C)C2=NOC(C2)C(=O)NC3=CC=CC(=C3)C(=O)C 1 1.403 4 3 0 -9.79180329581505 3236328 C1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43 1 2.807 2 3 -4.75174979718753 3236327 COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(S2)Br 1 2.655 1 3 -3.99137344246013 3236325 COC1=CC=C(C=C1)CNC(=O)C2CC(=NO2)C3=CC(=CC=C3)OC 1 2.356 2 4 -5.11398469050105 3236324 C1CCC(CC1)NC(=O)CCCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.356 4 3 0 -18.3789517999313 3236323 C1=CC=C(C(=C1)CS(=O)(=O)CCC(=O)O)F 1 1.298 0 4 0 -9.67661278889504 3236322 C1CCC(C1)NC(=O)C2=CN=C3N(C2=O)CCS3 1 1.049 3 2 0 -12.5602627122675 3236321 CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC(=C(C(=C3)OC)O)OC)NC4=CC=CC=N4 1 4.174 3 4 0 0.419780619275835 3236320 COC1=CC=C(C=C1)C2N(CCN2S(=O)(=O)C3=CC=CC=C3)C(=O)CN4CCOCC4 1 1.624 3 5 0 -17.3129704555337 3236319 CCN(CC)CCNC(=O)CN1C(=O)C=CC(=N1)C2=CC=C(C=C2)C 1 2.035 4 2 -9.03371109320041 3236318 COCCCNC(=O)CCC1=NC2=C(N1CC3=CC=C(C=C3)OC)N=CC=C2 1 1.782 4 3 0 -19.6925187426612 3236317 CC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=NO2)C3=CC=C(C=C3)F 1 2.327 2 3 -6.99651316002945 3236316 COC1(C2(C(C2(C(=N1)N)C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C#N)OC 1 2.632 4 3 0 4.00201449806218 3236315 CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC(=C(C=C3)C)F 1 3 2 4 -22.2623200734263 3236314 CCCNC(=O)CC1=NC=NN1 1 0.112 4 1 0 -13.8973505952746 3236312 CCOC(=O)N1CCC(CC1)NC(=O)CN2C3=CC=CC=C3C=N2 1 1.101 4 3 0 -12.2787769609413 3236311 CC(C)NC(=O)CCCN1C(=O)C2=CC3=C(C=C2NC1=S)OCO3 1 2.265 3 4 0 -18.4801287185483 3236310 COC1=C(C=C(C=C1)CCNC(=O)CCCCN2C(=O)C3=CC=CC=C3NC2=O)OC 1 2.727 3 5 0 -21.7020235124698 3236309 CCOC(=O)C1=CN=C2C(=C1N3CCN(CC3)C4=CC=CC=C4OC)C=CC=C2OC 1 3.979 3 4 0 -1.94449733094764 3236308 C1CN(CCC12OCCO2)C(=O)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4 1 1.803 2 5 0 -11.0965362181243 3236305 C1CCC2=C(CC1)SC=C2C(=O)NCC3CCCO3 1 2.898 1 2 -13.6560817416605 3236304 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)N4CCN(CC4)C5=CC=CC=N5 1 0.763 5 5 0 -20.0092045518822 3236303 C1CN(CCN1C2=CC=CC=C2)C3=CC(=O)N(C(=O)N3)C4=CC=CC=C4Cl 1 3.812 4 2 1.5996920358622 3236301 CCC1=NC2=C3C(=NON3O)C4=[N+](ON=C4C2=N1)[O-] 1 -4.287 6 4 0 0.402687671252315 3236300 CC1=NC2=C(N1C3=CC(=C(C(=C3)OC)OC)OC)C=CC(=C2)C(=O)N4CCOCC4 1 2.441 3 5 0 -9.87660310419756 3236299 C1CCN(C1)CCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S 1 2.591 4 2 -5.03099029534978 3236298 C1CC(OC1)CNC(=O)CN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CO4 1 1.951 2 4 0 -18.8184624211069 3236297 CC1=CC(=NN1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=N4)SC=C3 1 2.602 6 2 0 -27.328524967993 3236296 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC#C)C 1 3.472 4 1 -2.0489457785058 3236295 CCOC(=O)NC(C(=O)C1=CC=C(C=C1)F)NC(=O)OCC 1 2.43 2 5 0 -6.47477647763394 3236293 CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=NOC(=C3)C 1 3.293 4 3 0 -34.2722389716151 3236292 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N(C)C3=CC=CC=C3C 1 3.659 3 2 -6.84344936417262 3236291 CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5)C 1 4.223 3 3 -8.1345407788711 3236290 CCOC1=CC=C(C=C1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.686 4 3 0 0.252258768879293 3236289 CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.084 5 4 0 -15.2709629599436 3236287 C1COC2=C(O1)C=CC(=C2)NC(=O)CNS(=O)(=O)C3=CC=C(S3)Br 1 1.517 2 5 0 -14.8842265773536 3236286 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 1.283 4 4 0 -15.6187475281357 3236285 CCN1C2=CC=CC=C2N=C1C(C)NC(=O)C3=CC(=C(C=C3)OC)OC 1 3.336 3 3 -14.0261693818494 3236283 C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCC4=CC=CC=C4C3 1 3.458 3 2 -6.56176283818233 3236282 CCOC1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC(=C(C=C4)C)C 1 3.248 5 3 0 -11.1203310130466 3236276 CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C4=CC=CC=N4 1 1.988 4 2 0 -5.82507059857782 3236275 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NNC(=O)C4=CC=CC=C43 1 2.023 4 2 -9.89857674913969 3236274 CC1=CC(=C(C=C1)C)CC2=C(N3C(=C(C=N3)C(=O)N4CCOCC4)N=C2C)C 1 2.717 4 2 -15.884913499849 3236273 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC3=CN=CC=C3 1 2.147 3 3 -8.30147924430556 3236271 CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)C3=CC=C(C=C3)C 1 2.164 2 4 -1.45881951604695 3236270 CCOC1=CC=C(C=C1)N2C(=NC3=C2C=CC(=C3)C(=O)NCCCN4CCOCC4)C 1 2.818 4 3 0 -10.3251160680247 3236269 C1CCC(C1)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)Cl 1 2.401 6 2 0 -15.4747731076331 3236267 C1CCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F 1 4.554 3 0 7.12567528276735 3236266 CC12C=CC3(O1)CN(C(=O)C3C2C(=O)NC4CC4)CC5=CC=CC=C5 1 0.81 2 3 0 -4.5291874201755 3236265 C1CN(CCN1)C2(C3=C(C=C(C=C3)Cl)NC2=O)C(F)(F)F 1 1.901 3 1 0 -4.29006927666253 3236260 COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCOC 1 -0.284 3 5 0 -16.8077310140056 3236258 CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3=CC(=CC=C3)OC)OCC 1 3.002 2 5 0 -6.75863837257356 3236257 C1OC2=C(O1)C=C(C=C2)NC(=O)CC3=C(NC4=CC=CC=C43)C(=O)O 1 2.632 2 5 0 -9.45329258335178 3236256 CC1=C(NC(=O)N1)C(=O)CCCCC(=O)OCC(=O)NC2=CC=CC=N2 1 7.3e-002 4 5 0 -22.6922954640922 3236255 COC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.957 2 5 0 -11.8017831524597 3236254 C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC=CC=C4N5C3=NN=N5 1 1.946 7 0 0 -2.15166103686756 3236253 CCN1C(=O)C2=C(NN=C2C1=O)C(=O)OCC 1 0.579 3 4 0 -7.18715295769896 3236251 CC1=CC(=CC(=C1)NC2=CC(=O)N(C(=O)N2)C3CCCCC3)C 1 4.091 3 2 -4.44064301314139 3236250 CC(C)C(C(=O)NC(C)C1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C 1 2.946 3 4 0 -27.7896363594123 3236247 COC1=C(C=C(C=C1)C2C(CC(=O)O2)C(=O)NC3CCCCCC3)OC 1 3.068 1 5 -10.9749124489877 3236246 CCC(C(=O)O)SC1=NN2C(=NN=C2C3=CC(=C(C=C3)OC)OC)C=C1 1 3.315 4 4 0 -13.2735059420243 3236245 CCOC1=CC=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)N3CCCC4=CC=CC=C43 1 2.584 3 4 0 -12.9468059179821 3236244 CCOC(=O)N1CCN(CC1)C(=O)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S 1 3.376 4 4 0 -14.0706102541524 3236242 COC1=CC(=C(C=C1)OC)C2N(CCS2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 4.072 1 4 -15.5067362345235 3236241 CC1CN(CC(O1)C)C(C2=CC=CO2)C3=C(N4C(=NC(=N4)C)S3)O 1 2.317 4 3 0 -6.9952127578832 3236240 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NC4=CC=CC=C4C(=O)O3 1 1.945 2 5 0 -21.3398615758179 3236239 CC1=CC=CC=C1C2=NOC(=C2C#N)N 1 1.974 3 1 0 -1.62331906926704 3236237 CCOC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C(C)C 1 3.791 2 4 -3.94629548287675 3236236 CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NC4CCCCC4 1 2.171 3 4 0 -20.0829540755814 3236235 COC1=CC(=C(C=C1)OC)C2=NOC(C2)C(=O)NCC3=CC=CC=N3 1 1.42 3 4 0 -11.0689266638503 3236234 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=NC=C4 1 1.247 3 5 0 -17.2204452313064 3236231 CC1=C(C=CC=C1Cl)NC(=O)CC(C(=O)O)NCCN2CCOCC2 1 -1.443 3 4 0 -10.839126639146 3236230 CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCC4(CC3)OCCO4)C 1 1.38 2 6 0 -24.6851726052894 3236229 CC1CC(CN(C1)C2=CC(=O)N(C(=O)N2)C3=CC=C(C=C3)C)C 1 3.561 3 2 -5.3862813386632 3236228 CC(C)C[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC 1 1.922 1 5 0 -17.7798128599954 3236227 CCCCOC1=CC=CC(=C1)C(=O)NCC2=CC=CO2 1 3.115 1 3 -11.9776802196928 3236226 CCOCCN1C(=O)C2=C(N=C3N2CCN3C4=CC=C(C=C4)C)N(C1=O)C 1 2.083 5 3 0 -11.9291411980357 3236225 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32 1 2.818 2 4 -18.0374075600746 3236224 C1CC1C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)NC4CCN(CC4)CC5=CC=CC=C5 1 2.594 3 3 -16.8068989718553 3236223 CC1=C(C(=NO1)C)S(=O)(=O)N(CC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)OC 1 1.811 3 7 0 -18.4139658651818 3236221 CC1=CC2=CC=CC=C2C(=O)N1CC(=O)N(C)C3=CC=C(C=C3)F 1 2.494 2 2 -5.87192670336074 3236220 CCN(CC)S(=O)(=O)N1CCC(CC1)C(=O)NC2CCCC3=CC=CC=C23 1 1.938 3 3 0 -15.8704093032506 3236219 CC1=CC=CC=C1CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)F 1 3.55 5 1 -7.79686889010724 3236216 C1CN(CC2=CC=CC=C21)C3=CC(=O)N(C(=O)N3)C4=CC=C(C=C4)Br 1 3.925 3 2 -3.65435572597065 3236215 CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CC(CC(C3)C)C)C(=O)OCC 1 2.752 2 5 0 -19.3541011207084 3236214 C1CC2=C(C(CC(=O)N2C3=CC=CC=C3)C4=CSC=C4)C(=O)C1 1 2.994 1 2 -13.1091695761545 3236213 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2O)OC 1 2.428 2 4 -8.19217387586504 3236212 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCC(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 1.144 4 4 0 -19.4986666791845 3236210 CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC=CC3=NSN=C32 1 3.486 3 2 -6.7042639719414 3236209 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)N4CCOCC4 1 0.148 4 5 0 -11.6253521115517 3236208 C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)CC(=O)NC3=CC4=C(C=C3)C=NN4 1 1.995 5 3 0 -18.6362186268304 3236206 C1COCCN1CCNC(=O)C2=CC3=C(N2CC4=CC=C(C=C4)F)C=CS3 1 3.397 3 2 -9.01330114765065 3236204 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NOC(=C3)C4=CC=CS4 1 4.519 4 2 -10.9493681075871 3236203 CC(C)C(C(=O)NCC1=CC=CC=C1OC)NC(=O)C2CCCCC2 1 3.454 2 3 -18.8888682548416 3236202 COC1=CC=C(C=C1)C2=C(C(=O)N3CCCSC3=N2)C#N 1 2.112 3 2 -11.5649477670503 3236201 CCOCCCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=O)O2)CC(=O)OCC 1 0.793 2 7 0 -15.9617808334207 3236199 COC1=CC(=C(C=C1)CNC(=O)CCC2=NC(=NO2)C3=CC=CC=C3F)OC 1 2.66 3 4 0 -15.9305414926522 3236197 C1CN(C(=O)N1CC2=CC=CC=C2F)CC(=O)NCC3=CC=CS3 1 1.772 3 2 0 -18.326340755753 3236196 CCN(CC)CC#CC(C=C)(C1=CC=CC=C1)O 1 3.153 1 1 -2.61077706298695 3236195 COC(=O)C1=CC=CC=C1N2C(=O)C3C4C=CC(C3C2=O)C45CC5 1 1.629 1 4 0 -5.13808845377212 3236194 CCN1CCN(CC1)CCCNC(=O)C2=CC3=C(O2)N=C4C=C(C=CC4=C3)OC 1 2.509 4 3 0 -4.07607408585718 3236192 CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)N3CCCC3)CC4=C(C=C(C=C4)F)Cl 1 1.955 4 2 0 -9.50499787270847 3236191 C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NC3=CN=CC=C3 1 -0.274 4 3 0 -17.7819438399293 3236190 CSC1=CC=C(C=C1)CNC2=CC=CC=N2 1 3.152 2 0 2.21038025552147 3236189 C1CCC2=C(C1)C(=NO2)C(=O)N3CCOCC3 1 1.197 2 3 0 -14.6360540540442 3236188 CC1CCCN(C1)CCCNC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)F)Cl 1 2.617 3 2 -12.1070566796178 3236187 CCN=C1N(C(=O)C(S1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC)CC 1 2.502 3 4 0 -20.100981334372 3236186 CCC1=NC2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)N1C4=CC5=C(C=C4)OCCO5 1 4.079 4 3 0 -3.57537477878435 3236185 CC1=CC(=C(C=C1)S(=O)(=O)NCC2=CN3C=CSC3=N2)C 1 1.983 3 2 0 -5.01075581829056 3236184 C1=CC=C(C=C1)CNC(=O)C2=CC(=O)N=C3N2N=C(S3)C4=CC=CC=C4 1 3.186 4 2 -10.65739606265 3236183 CC(=O)C1=CC(=CC=C1)NC2=C3C=CC=CC3=NC2=O 1 1.948 2 2 0 -5.84805105418922 3236182 CC1=NC(=CS1)CCNC(=O)CC2=CC=CC=C2 1 1.836 2 1 0 -11.1385016756733 3236181 C1CN(CCC1C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)S(=O)(=O)C4=CN=CN4 1 -0.879 5 5 0 -11.2502336917076 3236180 CN1C=C(C=N1)CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 2.531 3 2 -9.65512700195164 3236177 C1=CON=C1NC(=O)C2=CN=C3N(C2=O)C=CS3 1 -0.381 4 3 0 -13.3744039346264 3236176 CC(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O 1 -2.072 2 7 0 -20.7260348391684 3236173 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3)C)CC(=O)N4CCC5(CC4)OCCO5 1 1.563 4 4 0 -14.7376152453074 3236172 C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Cl)SCC3 1 2.611 3 3 -23.7826689458728 3236171 CC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=CC=C4OC(=O)N5CCOCC5 1 3.798 5 4 0 -15.3644688139409 3236170 C1CCC2=C(C1)C(=NO2)C(=O)NCC3=CN=CC=C3 1 1.736 3 2 0 -17.2619788100133 3236168 COC1=C(C=C(C=C1)C2=CN3C=CC=NC3=N2)NC(=O)C4CCCC4 1 2.906 4 2 0.29601309381378 3236167 CCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC(=C(C=C3)OC)OC 1 2.621 2 4 -14.174563236704 3236165 CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=C(O2)C 1 1.095 2 5 0 -5.21943793135372 3236164 CC1=C(C(C(=C(O1)N)C#N)C2CCCCC2)C(=O)OC 1 2.287 2 3 -10.8243006817443 3236163 C1CCC(CC1)N2C(CCC2=O)C(=O)NCCCN3CCCC3 1 1.55 3 2 0 -13.3068820613802 3236159 C1CC1NC(=O)C2CSC(=N2)C3=CN=CC=C3 1 0.857 3 1 0 -4.7042508268921 3236158 CC(C)NC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 1 2.316 2 3 -21.9818664209491 3236156 C1COC(C2=CC=CC=C21)(CCC(=O)O)C(=O)O 1 1.339 0 5 0 -5.2949736850938 3236154 CCSC1=C(N=C(O1)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.909 1 4 -6.68612338605379 3236153 CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N3CCC4=CC=CC=C43)C 1 2.246 3 2 -19.2409040773927 3236152 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=CC=NC=C3 1 1.494 2 3 0 -10.7789350473729 3236151 CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NC2=CN=CC=C2 1 2.953 3 2 -19.5395024409214 3236150 C1C23C=CC(O2)C(C3C(=O)N1CC4=CN=CC=C4)C(=O)NCC5=CC=C(C=C5)Cl 1 1.212 3 3 0 -3.54072054831468 3236149 CCOC(=O)C1CCCN(C1)C(=O)C2=C(N3C=C(N=C3S2)C4=CC=C(C=C4)OC)C 1 3.031 3 4 0 -5.41577059424456 3236148 CC(C)NC(=O)CCS(=O)(=O)C1=CC=C(S1)Br 1 1.744 1 3 0 -20.6659915046715 3236146 C1CN(CCN1CCC(=O)NC2=CC=CC=C2F)C3=CC=C(C=C3)F 1 3.245 3 1 -0.983688270211965 3236145 COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N3CCC4(CC3)OCCO4 1 3.005 2 4 -11.4370461633518 3236144 CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCN(CC)CC 1 -0.357 3 3 0 -10.6073592086344 3236143 CCNC(=O)CC1C(=O)N(C(=O)N1CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)F 1 2.393 3 4 0 -17.7780975162755 3236142 CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC(=CC=C3)N4CCCC4=O 1 2.366 2 4 -22.4585024595473 3236141 CC1(CC(=O)C(=CNCCCOC)C(=O)C1)C 1 0.1 1 3 0 -15.4484751196773 3236140 COC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3 1 2.686 3 3 -12.0211997384298 3236139 COC1=CC(=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4)OC 1 2.176 3 4 0 -13.468835850038 3236138 CCCCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)N2CCOCC2)CC3=CC=CC=C3 1 1.442 4 4 0 -18.1839624186345 3236137 CC1=C(C(=CC=C1)C)NC(=O)CC(C(=O)O)NCC2=CC=CO2 1 -0.682 2 4 0 -14.2366099068179 3236136 CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O 1 -3.158 3 5 0 -19.2947482719533 3236135 CCCCNC(=O)C1CC(=O)N(C1)C2CCCCC2 1 1.92 2 2 0 -19.2433574144378 3236134 CCC(C)(C(=O)NC1CCCCC1)N(C)C(=O)C2=CC=CC=N2 1 2.759 3 2 -15.7065578173117 3236133 CC(C1=CN=CC=C1)N(C2CCCCC2)C(=O)NC3=C(C=C(C=C3)OC)OC 1 3.788 3 3 -9.62255894854525 3236132 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3CCCC3 1 3.157 3 4 0 -14.159701634082 3236130 C1CCN(C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.634 2 3 0 -15.8916992721143 3236129 CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5 1 3.616 3 5 0 -19.1156724917858 3236126 CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCCC4=CC=CC=C43 1 2.381 2 4 -15.7643882697634 3236125 CCCCNC(=O)C1=NOC(=C1)C2=CC=C(C=C2)F 1 3.264 2 2 -7.02106774977583 3236124 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.991 2 6 0 -13.9884728749754 3236121 CN(CC1=CC=CO1)C(=O)C2CCC(=O)N2CC3=CC=C(C=C3)F 1 1.79 2 3 0 -11.309734722773 3236120 C1CC(C2=CC=CC=C2C1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CN4 1 1.238 4 3 0 -9.38540429083815 3236118 C1CN(CCN1C2=NC3=CC=CC=C3N4C2=NN=C4)C5=NC=CC=N5 1 1.073 8 0 0 7.38449440555247 3236117 CC(=O)C(C(=O)N(C)C)SC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F 1 2.12 6 2 0 -7.27315214233374 3236116 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C 1 2.667 2 3 -10.855866381644 3236115 CC1=CC=CC=C1S(=O)(=O)NC2C(=C(C(=O)O2)Cl)Cl 1 2.371 1 4 -8.25876856080446 3236114 CC1=C(C(C2=C(N1)NC(=NC2=O)SC)C3=CC=NC=C3)C(=O)OC(C)C 1 1.96 4 3 0 -26.6909359117434 3236113 CC1=NC(=CS1)CNS(=O)(=O)C2=CC=C(C=C2)OC 1 1.239 2 3 0 -5.56934211902749 3236112 CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCCCOC 1 1.088 1 4 0 -18.6578297820895 3236110 CC1=NC=CN1CCCN2C(=O)OC3(C2(C)O)CCCCC3 1 1.42 3 3 0 -2.80657951045236 3236109 C1CN(CCN1CC(=O)NC2=CC(=CC=C2)F)C3=CC=C(C=C3)Cl 1 3.455 3 1 2.5244919498239 3236108 CCN1C(=O)/C(=C/2\N(C3=CC=CC=C3S2)CCCS(=O)(=O)O)/SC1=S 1 3.527 2 4 -9.30861003465872 3236103 CC1CCCCC1N2C(=O)C3=CC=CC=C3NC2=S 1 4.319 2 1 -8.94561500670001 3236101 CCOC(=O)C1=NC2=C(C(=C(S2)C)C)C(=O)N1 1 1.597 2 3 0 -10.5234532322753 3236096 CCCCN(C)CCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)NC1=S 1 3.459 4 2 -4.25813475256346 3236095 CC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C 1 2.129 2 2 -10.7501314995133 3236094 CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC=C)CC3=CC(=O)NC(=O)N3 1 2.997 5 2 0 -19.4963295932464 3236093 C1CCCN(CC1)S(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4 1 3.227 2 3 -19.8991063087145 3236092 CC1CN(CC(O1)C)C(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 1.272 3 3 0 -22.0506465047914 3236090 COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC#N)OC 1 3.147 4 4 0 -31.5886521430673 3236089 C1C=C(CC2C1C(=O)N(C2=O)CCC(=O)NC3=CC=CC=C3O)Cl 1 1.311 2 4 0 -7.45826410464481 3236088 C1CN(CCC12OCCO2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S 1 2.954 3 4 0 -14.7864653026908 3236087 COC1=CC=CC(=C1)CNC(=O)CCNS(=O)(=O)C2=CC=CS2 1 1.402 2 4 0 -19.1974642182423 3236086 C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C3=CC=CC=N3 1 3.581 4 1 1.55193755790338 3236085 C1CCC(C1)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3 1 2.039 2 2 -12.8533248746949 3236083 CC(NC(=O)OC1CCCCC1)N2C(=O)C3C4CC(C3C2=O)C=C4 1 1.964 2 4 0 -7.31540845716365 3236082 COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)C3CC(=O)N(C3)C4CCCC4 1 1.886 4 3 0 -13.2203058519267 3236080 CC1CN(CCN1)C(C2=CC(=C(C(=C2)OC)O)OC)(C(=O)OC)C(F)(F)F 1 2.24 2 5 0 -4.52938081493341 3236079 CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3F)C)CC(=O)N4CCC5(CC4)OCCO5 1 1.769 4 4 0 -15.5445994130615 3236077 CC(C)C1=CC(=NO1)C(=O)NC2=CN=CC=C2 1 1.621 3 2 0 -10.7922509479328 3236076 C1CC(OC1)CN2C(=NNC2=S)C3=CC=NC=C3 1 1.31 4 1 0 -9.47682879201389 3236075 CCCCN(CCCC)S(=O)(=O)C1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCOCC3 1 3.787 2 5 0 -9.14548713572093 3236074 COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.978 3 4 0 -12.6640926046441 3236073 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)NCC3=CC=CO3)Br 1 2.245 2 5 0 -25.9184367018134 3236072 C1CSC2=CC=CC=C2N(C1=O)CC(=O)NC3=CC(=CC=C3)F 1 2.474 2 2 -6.14492410307667 3236071 CC1CCCCC1NC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.797 2 2 -19.4825011677487 3236070 CC1=NC(=CC=C1)NC(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC(=C(C=C4)OC)OC 1 3.011 3 6 0 -8.38827118611696 3236069 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC=NC=C3 1 0.431 3 4 0 -11.4424522020808 3236068 COCCNC(=O)CCSCC1=CC=CC=C1F 1 1.761 1 2 0 -17.8390607086242 3236067 C1=CN(C=C1)CCC(=O)NC2=C(C=CC(=C2)F)F 1 2.425 2 1 -5.92937809226912 3236066 CN1C2=C(C=C(S2)C(=O)N3CCOCC3)C(=N1)C4=CC(=C(C=C4)OC)OC 1 2.526 3 4 0 -8.97859869730878 3236065 CCCS(=O)(=O)N1CCC(CC1)C(=O)N2CCOCC2 1 -0.184 2 4 0 -23.5879183202442 3236064 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F 1 2.088 4 3 0 -4.00880382379333 3236063 CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3CCC(CC3)C(=O)NCC4=CC=CO4 1 3.196 3 3 11.3209255416217 3236061 COC1=CC=CC=C1N2CCN(CC2)C(CNC(=O)OC)C3=CN=CC=C3 1 2.23 4 3 0 -15.1364989173399 3236060 COC1=C(C(=CC(=C1)CO)C2=CC(=CC(=C2OC)OC)CO)OC 1 2.073 0 6 -1.15401507268036 3236057 COC1=CC=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4CC4 1 3.071 2 4 0.510887535352989 3236056 CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NC3=CC=CC=C3F 1 2.52 3 2 -17.6269652617818 3236055 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)N(CC)C3=CC(=CC=C3)Cl 1 3.35 2 3 -5.40336784928139 3236054 COC(=O)C(C(F)(F)F)(NC1=NC(=CS1)C2CC2)NC(=O)C3=CC=CO3 1 2.561 3 4 0 -9.05416814391709 3236053 CCN(CCCNC(=O)C1CCC(=O)N1C2CCCC2)C3=CC=CC(=C3)C 1 3.14 3 2 -13.8012851861681 3236052 CC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)N4CCCCCC4 1 4.083 2 2 0.432466771172766 3236051 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3CCCC3)OC1=O 1 1.167 3 5 0 -14.1078152446578 3236049 C1CC(=O)N(C1C(=O)N2CCC3(CC2)OCCO3)CC4=CC=C(C=C4)F 1 1.09 2 4 0 -12.4926768961618 3236048 CC1=CC2=C(C=C1)OCC(=O)N2CCC(=O)NCC3=CN=CC=C3 1 1.053 3 3 0 -16.192249783357 3236047 CC1=C(C(=CC=C1)NCC2=CC=CC=C2O)C 1 3.952 1 1 6.8202311958996 3236046 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)N(C)C3CCCCC3 1 3.525 1 3 -5.39849862982447 3236045 COC1=CC(=CC(=C1OC)OC)C2C(=C(OC3=NNC(=C23)C4=CC=CC=N4)N)C#N 1 2.883 5 4 0 -10.4029971057265 3236044 CCC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC(=C(C=C2)OC)Cl 1 3.475 2 3 -7.72994239268241 3236043 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC(=C3)OC)OC 1 2.702 3 5 0 -21.3374692452677 3236042 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3=CC=CC=C3N4CCN(CC4)C 1 2.809 4 2 -5.93206664780949 3236041 CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)F)F 1 3.17 4 1 -1.50756513773365 3236040 CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.917 2 5 0 -9.03945721013926 3236037 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCN(CC)C2=CC=CC=C2 1 2.217 3 3 -25.7994564423896 3236033 CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCC3CCCO3)C 1 1.143 3 5 0 -30.7392522972861 3236032 CC1=CC=C(C=C1)CNC(=O)C2CC(=O)N(C2)C3CCCCCCC3 1 3.573 2 2 -15.8184315210274 3236031 C1C(=O)OC2=CC=CC=C2N1CC(=O)OCC(=O)C3=CC(=CC=C3)Br 1 3.157 1 5 -10.0154049203159 3236030 CC1CCCC(N1CCNC(=O)CCN2C(=O)C=CC(=N2)C3=CC=CC=C3)C 1 2.772 4 2 -14.1944979542981 3236029 C1CN(CCN1C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C(=O)C5=CC=CO5 1 3.09 4 3 0 -9.91531862576217 3236027 COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C#N 1 4.036 4 4 0 -4.90964611391871 3236026 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C3CCCC3 1 4.845 2 4 -9.15943397463602 3236025 COC1=CC2=C(C=C1)SC(=N2)NC(=O)C3=CC=CO3 1 2.619 2 3 -3.63745624130782 3236023 C1CCCC(CCC1)N2C(C3=CC=CC=C3C2=O)C(=O)NCC4CCCO4 1 3.322 2 3 -15.3728694090136 3236022 CC1(CCC(=O)N1CC2=C(C=C(C=C2)OC)OC)C(=O)NCC3=CN=CC=C3 1 1.325 3 4 0 -10.0269821003272 3236021 CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)N2CCCCCC2)C 1 3.393 2 3 -8.86045147181164 3236020 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SCCN3C 1 1.923 3 3 0 -11.8135453231711 3236019 C1CN(CCN1C2=CC=CC=N2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S 1 2.673 5 2 0 -10.0599225848009 3236018 COC1=CC=CC(=C1)C(=O)N(CN2CCCC2=O)C3=CC(=CC=C3)Cl 1 3.104 2 3 -12.9091490503854 3236017 CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)NCCN2CCOCC2)C 1 1.64 3 4 0 -12.2931419698728 3236016 CC1=C(OC(=N1)C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC 1 1.057 2 6 0 -12.4138932384356 3236015 C1CC2=C(C3=CC=CC=C31)ON=C2C(=O)N4CCOCC4 1 2.224 2 3 -8.13224320089335 3236013 CCOC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CN=CN2)OCC 1 1.322 3 4 0 -6.11569003316029 3236011 CS(=O)(=O)N1CCC(CC1)C(=O)NCC2=C(C=C(C=C2)F)Cl 1 1.504 2 3 0 -16.9343280646455 3236010 C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4 1 1.134 6 3 0 -24.6046784251579 3236009 CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCN(CC5)C6=NC=CC=N6 1 2.888 6 3 0 -3.25589946612126 3236006 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCCC2=CC=C(C=C2)OC)C 1 3.147 2 4 -12.6281496505728 3236005 C1CCN(CC1)C(=O)CCCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.621 4 3 0 -16.5999886851455 3236004 CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCCCCC3)Br 1 3.136 2 3 -18.1908078861735 3236002 CCC(CC)C(=O)NCCC1=CC2=C(C=CC(=C2NC1=O)OC)OC 1 2.67 2 4 -13.8533115199434 3236001 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)N(C=N3)C4CCCC4 1 2.524 4 3 0 -13.0905518938997 3236000 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl 1 2.198 4 3 0 -4.8116503536487 3235997 C1CCC2=NN(C=C2C1)CC(=O)O 1 1.481 2 2 0 -6.13077559572432 3235996 CC1CCN(CC1)C(C2=CC(=CC=C2)F)C3=C(N4C(=NC(=N4)C)S3)O 1 3.854 4 1 -4.21609047221416 3235995 CCN(C)C1=CC=C(C=C1)C=NN2C(=NN=N2)N 1 1.091 7 0 0 -5.66841309747955 3235994 CCOC(=O)C(C)N1C=NC2=C(C1=O)N=NN2C3=CC=C(C=C3)OC 1 1.792 5 4 0 -9.7291251004976 3235992 CCC(C)C(C(=O)O)NCC1=CC=CC(=C1)C 1 0.414 1 2 0 -8.31875819708552 3235989 C1CCC2=C(CC1)ON=C2C(=O)NC3=CC4=C(C=C3)OCO4 1 3.104 2 4 -14.6203729693345 3235988 C1CCCN(CC1)S(=O)(=O)C2=CN=CN2 1 0.332 3 2 0 -6.45521713507796 3235986 CC(C)NC(=O)C1CCN(CC1)C(=O)N(C)C 1 0.188 3 2 0 -16.7673598227803 3235985 C1CN(CC2=CC=CC=C21)C(=O)CCCNS(=O)(=O)C3=CC=CS3 1 2.02 2 3 -20.7943351646075 3235984 CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.868 2 4 0 -10.9837992277857 3235983 CN1C2=CC=CC=C2C(=CC1=O)OCCCC(=O)NC3CCCC3 1 2.177 2 3 -10.5085203590197 3235981 CC1=CC(=NC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.206 5 3 0 -8.65832680912746 3235980 CC(C)CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=CC=C2F)O 1 4.417 1 3 -7.96171378974249 3235979 C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=CC=CC=C4F 1 1.2 2 3 0 -9.35213025973514 3235978 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5OC 1 3.772 4 4 0 -7.66055957113857 3235976 C1CSC2=NC(C(=O)N21)(C(F)(F)F)NS(=O)(=O)C3=CC=CC=C3 1 2.289 3 3 -7.70820439462268 3235975 C1CN(CCN1C2=CC=CC=N2)C(=O)CCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 1 2.763 5 4 0 -7.16121333535108 3235973 CCCN1CCN(CC1)C(=O)CN2C(=O)CC(S(=O)(=O)C3=CC=CC=C32)(C)C 1 1.294 3 4 0 -8.6547547217452 3235971 CC1=CC=CC=C1CS(=O)(=O)CC2=CC=C(O2)C(=O)NCC3=CC=CC=N3 1 2.761 2 4 -11.9833368964265 3235970 CC12CC(C3=C(O1)C=CC(=C3)Cl)NC(=O)N2CCC4=CC=CC=C4 1 3.772 2 2 -0.172829577261312 3235969 C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)F 1 3.12 2 0 4.31002763882392 3235968 C1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC3 1 0.96 3 3 0 -12.8210758935279 3235966 CCC1C(=O)N(C2=CC=CC=C2O1)CC(=O)OCC 1 1.889 1 4 0 -7.09208147903809 3235965 CN(C)C(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2Cl 1 1.709 3 2 0 -14.8730558154111 3235964 CC(C)(C)N1C(=C2CS(=O)CC2=N1)NC(=O)C3=CC=CO3 1 1.121 3 3 0 -6.00785403651756 3235961 C1=CN=CC=C1C(=O)NCCCCCC(=O)O 1 0.85 2 3 0 -15.5610060943762 3235958 C1COCCN1CCCNC=C2C(=O)CC(CC2=O)C3=CC=CC=C3 1 0.884 2 3 0 -13.4042636058152 3235957 COC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)NC3CCCCC3)S2)CC(=O)OC 1 3.238 3 5 0 -15.9427617795275 3235956 CCOC(=O)CNC(=O)CN1C(=O)CCS(=O)(=O)C2=CC=CC=C21 1 -0.268 2 6 0 -17.1783707361351 3235955 CC(C)(C(=O)O)NCC1=CC=CC=C1Cl 1 -0.396 1 2 0 -2.90410288251457 3235954 CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)C=O 1 3.007 3 2 -9.05889782906597 3235952 CC1=CC=C(C=C1)NC2=C(C=C3C=CC(=O)C=C3O2)C(=O)N 1 2.131 2 3 -0.838679486912055 3235951 COC1=C(C=C(C=C1)C2CC(=O)NC3=CC=CC=C3S2(=O)=O)OC 1 1.99 1 5 0 -10.531541804261 3235949 CCOC(=O)C1=C(C(=C(N1C)C)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C 1 3.964 3 3 0.68910333961727 3235948 CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(NN=C3C)C 1 1.408 4 4 0 -11.2352813551648 3235947 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4CCC(CC4)C 1 2.789 4 3 0 -5.19364501322051 3235945 CCOC(=O)N1CCC(CC1)NC(=O)CCC(=O)N2CCOC3=CC=CC=C32 1 0.744 3 5 0 -16.8338999489395 3235944 C1CCN(C1)C(=O)CNC(=O)C2=CC=CS2 1 0.718 2 2 0 -12.6223592139429 3235942 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC5=C(C=C4)OCO5 1 3.298 3 5 0 -9.36547120423095 3235941 CCOC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4=CC=CO4)S2 1 3.594 3 3 -5.31790253455993 3235939 C1CCC(C1)N2C=NC3=C2C=CC(=C3)C(=O)NC4CC4 1 2.651 3 1 -11.581953659621 3235938 CN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCCCN(C)CC3=CC=CC=C3 1 1.99 3 3 0 -6.28510429467301 3235937 CCC(C)(C(=O)NC1CCCCC1)NC(=O)CNC(=O)C 1 0.671 3 3 0 -19.2972676314616 3235936 CN(C)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3F 1 2.953 4 1 -3.17658743849195 3235934 C1CCC(CC1)N2CCN(CC2)C(=O)CN3C=CC=C3C(=O)C4=CC=CC=C4 1 3.906 3 2 -6.79692029732892 3235933 CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3CC3 1 2.359 2 1 -11.105676331687 3235930 C1CC(N(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)N3CCOCC3 1 1.825 2 4 0 -13.9943755301637 3235928 CC1(CCC(=O)N1CC2=CC=CC=C2OC)C(=O)NC3CCCCCC3 1 3.223 2 3 -10.6584773238946 3235926 CCOC(=O)CNC(=O)CN1C=NC2=C(C1=O)N=NN2C3=CC(=CC=C3)Cl 1 1.048 6 4 0 -15.0648243877996 3235924 CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)O)C 1 2.77 1 4 -6.45834162232639 3235923 CC1CC(CN(C1)C(=O)C2=CC3=C(O2)N=C4C=C(C=CC4=C3)C)C 1 4.266 2 2 -2.68536126961369 3235922 CCC(C)NC(=O)CN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)C(=O)N(C1=O)C4=CC=CC=C4 1 2.836 4 5 0 -26.2441566587707 3235921 CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CCC2=C(N3C(=NC=N3)N=C2C)C 1 2.6 5 3 0 -26.7062877231884 3235920 C1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4 1 3.311 4 3 0 -31.0849121370388 3235919 CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CC=C3 1 3.126 3 4 0 -22.3797075092375 3235917 C=CCNC(=O)C1=CC(=O)C2=CC=CC=C2O1 1 1.443 1 3 0 -12.5206140524362 3235916 CC1=C(C(=NC2=C(C=NN12)C(=O)O)C)CC=C 1 1.305 3 2 0 -13.3218382560792 3235915 CC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)N3CCOCC3 1 2.001 2 3 0.589600729509691 3235914 CC1CCCC(N1C(=O)C2=NOC(=C2)C3=CC=CS3)C 1 3.562 2 2 -9.27655911878753 3235913 CCOC(=O)C1=CC2=C(S1)C3=CC=CC=C3N(C2=O)C 1 2.958 1 3 -5.39488635927454 3235911 C1=CSC(=C1)C2=CC(=NO2)C(=O)NCCCN3C=CN=C3 1 1.488 4 2 0 -8.27612804419721 3235910 CCCCC(CCC(=O)NC1=CC=CC=C1C(=O)OCC)C(=O)O 1 3.287 1 5 -16.8038103976401 3235909 COC1=CC=C(C=C1)C2=NOC(C2)C(=O)N3CCCC4=CC=CC=C43 1 3.102 2 3 -9.57206881883502 3235908 CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CC=C2 1 0.726 3 3 0 -23.5306928681823 3235907 CCCS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 1.409 2 5 0 -25.3038132390369 3235906 CCOCCCNC(=O)C(C1=CC=C(C=C1)OC)NC(=O)C2=NC=CN=C2 1 0.207 4 4 0 -22.4321960186976 3235905 CCCCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)CC)C2=CC=CC=C2 1 2.601 3 3 -26.1040479713939 3235904 C1=CN(C=C1)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 3.885 2 2 -1.59954659697288 3235902 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CO3)C(=O)CC4C(=O)NC(=O)N4 1 2.1 4 5 0 -31.0787271632979 3235901 C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC4=C(C=C3)OCCO4 1 1.911 2 5 0 -13.8871825777442 3235900 CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(C)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.703 3 5 0 -16.8433801661177 3235898 CC1=C(OC=N1)C(=O)NC2=C(C=CC(=C2)Cl)OC 1 1.733 2 3 0 -12.7349610959642 3235897 COC1=CC(=C(C=C1)NC(=O)CN2C=CC=C2)OC 1 1.733 2 3 0 -8.85962754870017 3235895 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=C(C=CC(=C3)OC)OC 1 1.654 4 6 0 -16.7200953743904 3235894 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NOC(=C3)C4=CC5=C(C=C4)OCO5 1 3.317 3 5 0 -1.78821896042867 3235893 COC1=C(C=C(C=C1)C2=CC(=NC(=N2)NCC3=CC=CO3)C(F)(F)F)OC 1 3.958 3 3 0.605266661808195 3235892 CCCC(=O)N(C1=CC2=C(C=C1)OC(=O)S2)S(=O)(=O)C3=CC=CS3 1 3.933 1 5 -13.5537905241351 3235891 COC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)NC3CCCCC3 1 3.462 1 5 -13.4689784241732 3235889 CCCCN(C)CCCNC(=O)C1=CC(=CC=C1)N2CCCC2=O 1 2.149 3 2 -19.9809319708968 3235888 CC12C=CC3(O1)CN(C(=O)C3C2C(=O)NCC4=CC=CO4)CC5=CC=CC=C5 1 1.085 2 4 0 -7.022425728727 3235887 CC1=C(C=CC(=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NCC4=CC=CS4)C)N)Cl 1 3.692 6 1 0 -16.6504966503536 3235886 COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC(=CC=C3)F 1 2.739 2 3 -9.520662048883 3235885 COC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=CC=CC=C4F 1 3.207 5 3 0 -22.746980815484 3235884 CCSC1=NN=C(S1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br 1 0.922 6 3 0 -23.3644387227204 3235883 C1CCC(CC1)C(=O)NCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.169 3 4 0 -16.1382232810598 3235882 CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3F)NC(=O)CC4=CC=CS4 1 4.836 3 1 -4.71279056210744 3235881 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=CC=C3)OC(=O)N4CCOCC4 1 1.647 5 4 0 -13.7261817256291 3235879 CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)N4CCCCC4)N=N2 1 1.944 6 2 0 -16.5085486173527 3235878 CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC=C3C(=O)N 1 0.802 3 4 0 -12.7935639276976 3235877 COCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC(=CC=C3)OC 1 1.634 2 4 0 -11.0376386673546 3235875 C1COCCN1CCCNC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)F 1 1.626 3 4 0 -11.4216336464222 3235874 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3OC)CNC(=O)C4=CC=CO4 1 3.043 5 5 0 -23.3501060585517 3235869 CC1=CC=C(C=C1)C2=NC3=C(O2)C4=CC=CC=C4N(C3=O)C 1 3.537 2 2 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COC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43)OC 1 1.74 4 6 0 -12.4684358635424 3235624 CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O 1 1.951 1 4 0 -18.2996731680481 3235622 COC(=O)C1=C2C(=NN1)C(=O)N(C2=O)C3CCCCC3 1 1.739 3 4 0 -10.1382667174467 3235621 CC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C 1 1.784 5 2 0 -10.8690922411133 3235620 CC1(CC(=C(C(=O)C1)C(=O)CCC(=O)OC)NCC=C)C 1 1.227 1 4 0 -22.5774791130457 3235619 CCCCN(CCCNC(=O)C1=C(OC(=O)C=C1C)C)C2=CC=CC=C2 1 3.653 2 3 -15.322719493791 3235618 CC1CCCCN1C2=C3C=C(SC3=NC=N2)C 1 3.253 3 0 0.551698388819617 3235617 CS(=O)CSC1=NC2=C(CCCC2)C=C1C#N 1 2.643 2 1 -8.72480304552491 3235616 COC1=CC=C(C=C1)CC(=O)NC(CC(=O)O)C2=CC=C(C=C2)OC 1 2.382 1 5 -11.5483903473316 3235615 CC(C)CCNC(=O)CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)O 1 3.532 2 3 -11.6985681762316 3235611 C1CCC(=CC1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 2.497 2 3 -16.830269705318 3235609 CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=C(C=C(C=C4)OC)OC)C 1 2.883 5 4 0 -11.503881725014 3235608 C1=CC=C2C(=C1)C(=O)NC3=C(SC(=S)N23)C(=O)NCC4=CC=CO4 1 2.937 3 3 -14.8202704287487 3235606 C1CN(C(=O)N1)CC2=CC(=CC=C2)Cl 1 1.642 2 1 0 -8.11110888769791 3235605 CCN1C2=CC=CC=C2N=C1C(C)NC(=O)CC3=CC=CC=C3 1 3.404 3 1 -10.1812209675402 3235603 CC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N3CCCC3 1 3.904 2 1 -9.49977639855244 3235601 CC1=C(C(=NN1C)C)S(=O)(=O)NC2CCCC2 1 1.221 3 2 0 -6.81330874381071 3235600 CCN1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3=C(C=CC(=C3)Cl)C 1 2.975 4 2 1.30954602928562 3235598 CCCCN(CC)C(=O)CSC1=CC(=O)N(C2=CC=CC=C21)C 1 2.647 2 2 -13.9798347035222 3235597 CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)F)C(=O)O 1 3.241 1 5 -9.03738224595962e-003 3235595 CN1C2=CC=CC=C2C(=C1CC(=O)NCCO)SC 1 1.866 2 2 0 -7.38541052606127 3235594 CCOCCC1=C(N=C(NC1=O)SCC(=O)NCC2=CC=CO2)O 1 1.153 3 5 0 -25.4518997880529 3235593 CC1CCCC(C1C)NC(=O)C2=NNC(=O)C3=CC=CC=C32 1 2.617 3 2 -14.0935683041389 3235592 C1CCC(C1)C(=O)N(C2CS(=O)(=O)C=C2)C3=CC=CC=C3 1 2.206 1 3 -1.87256320394461 3235591 CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCC3=CC=CC=C32)C 1 3.116 2 3 -15.1657096462738 3235590 CN1C2=C(C=CC(=C2)Cl)C(=CC1=O)SCC(=O)NCC3CCCO3 1 1.787 2 3 0 -13.7317668782912 3235589 C1=CC(=CN=C1)CNC(=O)CCCCN2C(=O)C3=C(C=CS3)NC2=O 1 1.242 4 3 0 -20.431780364206 3235588 COC1=CC=CC(=C1OC)C2C3=C(CCCC3=O)NC4=NC5=CC=CC=C5N24 1 3.329 3 3 -19.4346466509628 3235587 C1=CC=C(C=C1)COC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=CC=C4F 1 2.771 5 3 0 -12.8886017771428 3235584 CC1=CC(=C(C=C1)C)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C 1 3.218 4 1 -2.57230749381716 3235583 C1CCN(C1)C(=O)CSC2=NC3=C(C(=O)N2CCCCCC(=O)O)SC=C3 1 2.88 3 4 0 -31.3284585104014 3235582 COC1=C(C=C(C=C1)C2=NOC(C2)C(=O)NCC3=CC=CO3)OC 1 1.538 2 5 0 -12.1805339788026 3235581 CCC1=CC=C(C=C1)N/C(=C(/C#N)\C(=O)N)/SC 1 2.645 3 1 -13.3420698629652 3235580 CCN1C(=O)/C(=C/N(C)C2=CC=CC=C2)/OC1=S 1 2.532 2 2 -1.95882392614923 3235579 CC1=NC2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)N1C4=CC(=CC=C4)OC 1 3.61 4 2 -2.20164377864262 3235578 COC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC=CC=C4N5C3=NN=N5 1 1.93 7 1 0 -4.08432196534351 3235577 CCN1C(=O)C=C(NC1=O)N2CCCCC2 1 1.208 3 2 0 -3.82870076545947 3235471 C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCC4=CN=CC=C4 1 2.165 5 0 2.93101328649635 3232557 CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3C(CC4=CC=CC=C43)C 1 3.328 3 3 -25.1708818094748 3232523 CC1=CC=CC=C1CC(C(=O)NC2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-])NC(=O)C 1 2.025 5 4 0 -13.713070959301 3232519 CC1=CC=CC=C1CC(C(=O)NC2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)NC(=O)C 1 1.551 7 2 0 -18.08762794145 3232508 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C(CC3=CC(=CC=C3)F)NC(=O)C 1 0.537 4 5 0 -25.48157337377 3232505 CC(=O)NC(CC1=CC(=CC=C1)F)C(=O)NC2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-] 1 1.744 5 4 0 -10.8593554759135 3232501 CC(=O)NC(CC1=CC(=CC=C1)F)C(=O)NC2CCN(CC2)C3=NN=NN3C4=CC=CC=C4 1 1.27 7 2 0 -15.1628936875749 3232496 CC(=O)NC(CC1=CC=C(C=C1)F)C(=O)NC2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-] 1 1.744 5 4 0 -11.4960572867522 3232491 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C(CC3=CC(=CC(=C3)OC)OC)NC(=O)C 1 0.299 4 7 0 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CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)C(=O)O)Cl 1 3.119 2 5 0 -10.7007033617652 3230743 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)C(=O)O)Cl 1 3.119 2 5 0 -12.7712173327925 3230729 C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3CCCO3 1 2.063 2 4 -18.5410502818147 3230726 C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)F)C(=O)NNC(=O)C3CC3 1 0.894 3 4 0 -15.9658108703198 3230722 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCC3=CNC4=CC=CC=C43 1 2.96 3 3 -23.1283774915271 3230710 C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCC3=CC=CO3 1 1.534 2 4 0 -22.4214511890459 3230706 C1CN(CCC1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 2.215 4 5 0 -14.776193419237 3230704 COC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.088 3 6 0 -23.3670755983732 3230703 C1CN(CCC1C(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.845 3 5 0 -23.6881034003403 3230699 C1CN(CCC1C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.286 3 6 0 -22.9933382327057 3230698 C1CN(CCC1C(=O)N2CCOCC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 0.415 3 6 0 -20.9232671953879 3230696 CC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 3.472 3 3 -8.74276586725204 3230576 CCCCC(=O)N(CCOC)C1=NN=C(S1)C2=CC=CC=C2C 1 3.489 3 2 -6.23821481733444 3230529 CC1=CC(=CC=C1)C(C(=O)NC2CCCCC2)OC(=O)C 1 3.144 1 3 -8.19907992325258 3230525 CC(=O)OC(C1=CC(=C(C=C1)Cl)Cl)C(=O)NC2CCCCC2 1 3.986 1 3 -6.48301844470222 3230521 CC(C)(C)NC(=O)C(C1=CC=C(C=C1)C#N)OC(=O)C2=CC=CS2 1 3.227 2 3 -18.9972602046325 3230513 CC(C)C(C(=O)NCCOC)OC(=O)C1=CC2=CC=CC=C2OC1 1 2.106 1 5 -8.43765490857509 3230510 C1CCC(C1)NC(=O)C(C2=CC=NC=C2)OC(=O)C3=CC4=CC=CC=C4OC3 1 2.88 2 4 -8.1144195292577 3230507 C1CCC(C1)NC(=O)C(C2=CN=CC=C2)OC(=O)C3=CC4=CC=CC=C4OC3 1 2.88 2 4 -9.31189510064653 3230502 CCC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC3=CC=CC=C3OC2 1 2.683 1 5 -7.38868092338137 3230498 CCC(C(=O)NC1CCCC1)OC(=O)C2=CC3=CC=CC=C3OC2 1 3.32 1 4 -6.04341869037063 3230496 CC(C(=O)NCCOC)OC(=O)C1=CC2=CC=CC=C2OC1 1 1.263 1 5 0 -8.98859477953432 3230495 CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC3=CC=CC=C3OC2 1 2.159 1 5 -7.54466010109437 3230491 CC(C(=O)NC(C)(C)C)OC(=O)C1=CC2=CC=CC=C2OC1 1 2.325 1 4 -7.87409468781976 3230489 COCCNC(=O)COC(=O)C1=CC2=CC=CC=C2OC1 1 0.779 1 5 0 -10.3855596255084 3230486 CC(=O)OC(C1=CC=C(C=C1)C(F)(F)F)C(=O)NC2CCCCC2 1 3.6 1 3 -6.97695105645079 3230485 CC(=O)OC(C1=CC=CC=N1)C(=O)NCC2=CC=C(C=C2)F 1 1.866 2 3 0 -8.32017269802623 3230484 CC(=O)OC(C1=CC=CC=C1Cl)C(=O)NC2CCCCC2 1 3.322 1 3 -9.39842037750807 3230482 CC(=O)OC(C1=CC=C(C=C1)Cl)C(=O)NC2CCCCC2 1 3.322 1 3 -8.75071925319627 3230481 CC(=O)OC(C1=CC(=CC=C1)F)C(=O)NC2CCCCC2 1 2.863 1 3 -7.96672428493781 3230480 CC(=O)OC(C1=CC=CC=C1F)C(=O)NC2CCCCC2 1 2.863 1 3 -9.47423160874931 3230466 CCOC(=O)C1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)NC3=C(C=C(C=C3)F)F 1 3.227 3 4 0 -10.5807414258439 3230461 CC1=C(C(=CC=C1)C)NC(=O)NC2(CCCCC2)C(=O)NCCCN3CCOCC3 1 2.795 4 3 0 -14.2919044853763 3230460 CC1=C(C(=CC=C1)C)NC(=O)NC2(CCCCC2)C(=O)NCCN3CCOCC3 1 2.732 4 3 0 -14.0991170468608 3230459 CC1=C(C(=CC=C1)C)NC(=O)NC2(CCCCC2)C(=O)N3CCN4CCCC4C3 1 3.559 4 2 -4.51116646802055 3230457 CCN1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)NC3=CC=CC=C3Cl 1 3.11 4 2 -6.56482306641682 3230452 C1CCC(CC1)(C(=O)N2CCN3CCCC3C2)NC(=O)NC4=CC(=CC=C4)F 1 2.792 4 2 -0.961269964465032 3230451 CCOC(=O)C1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)NC3=CC(=CC=C3)F 1 3.021 3 4 0 -7.97256457344214 3230450 CCN1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)NC3=CC(=CC=C3)F 1 2.651 4 2 -3.64724284728347 3230449 CC1CCCN(C1)C(=O)C2(CCCCC2)NC(=O)NC3=CC(=CC=C3)F 1 3.581 3 2 -6.93109965465571 3230447 CC1=CC=CC=C1NC(=O)NC2(CCCCC2)C(=O)NCCCN3CCOCC3 1 2.308 4 3 0 -16.2249452483725 3230445 CCOC(=O)C1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)NC3=CC=CC=C3C 1 3.302 3 4 0 -13.4555018399939 3230443 CCNC(=O)NC1(CCCCC1)C(=O)N2CCC(CC2)CC3=CC=CC=C3 1 3.569 3 2 -6.41867746209738 3230440 C1CCC(CC1)(C(=O)N2CCN3CCCC3C2)NC(=O)NCC4=CC=CC=C4 1 2.593 4 2 -6.65205091653323 3230438 CN1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)NCC3=CC=CC=C3 1 2.104 4 2 -7.73136789590081 3230434 CCOC(=O)C1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)NC3CCCCC3 1 3.097 3 4 0 -14.0860517939387 3230422 C1C2=C(C(NC(=O)N2)C3=CC=C(C=C3)OC(F)(F)F)C(=O)O1 1 2.654 2 4 -14.342840352583 3230418 COC1=CC(=CC(=C1OC)OC)C2C3=C(COC3=O)NC(=O)N2 1 0.485 2 6 0 -19.5942070393766 3230390 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NC3=C(C=CC(=C3)Cl)OC)OC 1 2.959 4 3 0 -3.24182868102906 3230389 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)Br)OC 1 3.06 4 2 -3.16216013571603 3230386 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NC3=CC=CC=C3Br)OC 1 3.06 4 2 -4.36981527067277 3230385 CC1CCCCC1NC(=O)CN2CCC(CC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.28 4 4 0 -15.0335965145497 3230384 CN(C1CCCCC1)C(=O)CN2CCC(CC2)NC(=O)C3=CC=CC=C3Br 1 3.021 3 2 -9.095037286842 3230382 C1CN(CCC1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4 1 3.462 4 4 0 -9.07035562661303 3230378 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)C3=CC=CC=N3 1 2.839 5 3 0 -11.7543422985216 3230359 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 2.877 4 3 0 -6.67989948933717 3230358 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-] 1 1.605 5 5 0 -12.9649296861819 3230349 CC1=C(C(=CC=C1)C)NC(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)N4C=NN=N4 1 2.244 7 2 0 -21.5048036349903 3230348 CC1=C(C(=CC=C1)C)NC(=O)N2CCCC2C(=O)NC3=CC(=C(C=C3)N4C=NN=N4)C 1 2.73 7 2 0 -22.2511071587113 3230345 CC(C)C1=NN=C(S1)NC(=O)C2CCCN2C(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 2.143 6 4 0 -17.0245407008814 3230344 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 1.399 5 5 0 -13.5307760950506 3230339 C1CC(N(C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C(=O)NC3=CC=CC=C3 1 2.279 4 4 0 -10.6659254936831 3230338 C1CC(N(C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=CC=CO3 1 1.468 4 5 0 -16.1165260820241 3230337 C1CC(N(C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=CC=CS3 1 2.026 4 4 0 -16.8112912496587 3230336 CCOCCCNC(=O)C1CCCN1C(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 0.983 4 5 0 -20.0720875753022 3230335 C1CC(N(C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3CCCO3 1 1.061 4 5 0 -18.0524102031581 3230334 C1CC(N(C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=CC=CC=C3 1 2.286 4 4 0 -14.8488730827488 3230325 CC(=O)C1=CC(=CC=C1)NC(=O)N2CCCC2C(=O)NC3=CC4=C(C=C3)OCO4 1 1.893 3 5 0 -13.422765667936 3230324 CC(=O)C1=CC(=CC=C1)NC(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)C(=O)OC 1 1.98 3 5 0 -13.2274223155468 3230322 CC(=O)C1=CC(=CC=C1)NC(=O)N2CCCC2C(=O)NCCC3=CC=CC=C3 1 2.453 3 3 -15.1033159585781 3230319 CC(=O)C1=CC(=CC=C1)NC(=O)N2CCCC2C(=O)NC3=CC4=C(C=C3)OCCO4 1 1.91 3 5 0 -14.8680668215044 3230304 CC(=O)C1=CC(=CC=C1)NC(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.899 3 5 0 -15.7689453930218 3230299 CC(=O)C1=CC(=CC=C1)NC(=O)N2CCCC2C(=O)NC3CCCC3 1 1.95 3 3 0 -12.9081382207747 3230297 C1CC(N(C1)C(=O)NC2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)N4C=NN=N4 1 2.02 7 2 0 -19.2058232167694 3230295 C1CC(N(C1)C(=O)NC2=CC=C(C=C2)Br)C(=O)NCC3=CC=CO3 1 2.322 3 3 -13.151037357511 3230292 C1CC(N(C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)NCC3CCCO3 1 2.496 3 3 -13.9295659574417 3230287 COC1=C(C(=CC=C1)OC)NC(=O)C2CCCN2C(=O)NC3=CC=CC=C3Cl 1 3.016 3 4 0 -9.18300908632125 3230286 C1CC(N(C1)C(=O)NC2=CC=CC=C2Cl)C(=O)NCC3=CC=CO3 1 2.238 3 3 -13.3874607555136 3230285 C1CC(N(C1)C(=O)NC2=CC=CC=C2Cl)C(=O)NCC3=CC=CS3 1 2.796 3 2 -14.0822259231482 3230274 CCOC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NCC3=CC=CO3 1 1.906 3 4 0 -14.6955656638486 3230270 CCOC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NCC3CCCO3 1 1.499 3 4 0 -16.7288440115073 3230264 CCOC1=CC=CC=C1NC(=O)N2CCCC2C(=O)NCC3=CC=CO3 1 1.906 3 4 0 -17.713090523375 3230263 CCOC1=CC=CC=C1NC(=O)N2CCCC2C(=O)NCC3=CC=CS3 1 2.464 3 3 -18.4078556910096 3230255 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)NC3=CC(=CC=C3)F 1 1.71 4 3 0 -9.23701487691717 3230254 CC1=C(C(=CC=C1)C)NC(=O)C2CCCN2C(=O)NC3=CC(=CC=C3)F 1 3.562 3 2 -9.15582880148341 3230252 COC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)NC3=CC(=CC=C3)F 1 2.574 3 3 -6.46006334930806 3230247 C1CC(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NCC3=CC=CS3 1 2.337 3 2 -12.5175300315254 3230246 C1CC(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NCC3=CC=C(C=C3)F 1 2.802 3 2 -9.77267795767599 3230245 C1CC(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NCC3=CC=CC=C3F 1 2.802 3 2 -11.6297339951187 3230237 CC(C)C1=NN=C(S1)NC(=O)C2CCCN2C(=O)NC3=CC=CC=C3F 1 2.454 5 2 0 -15.5509907928106 3230219 CC(C)C1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)N4C=NN=N4 1 2.466 7 2 0 -19.2877024656031 3230214 CC1=CC(=CC(=C1)NC(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)N4C=NN=N4)C 1 2.244 7 2 0 -20.2305103256538 3230213 CC1=CC(=CC(=C1)NC(=O)N2CCCC2C(=O)NC3=CC(=C(C=C3)N4C=NN=N4)C)C 1 2.73 7 2 0 -20.9694133880272 3230211 CC1=CC(=CC(=C1)NC(=O)N2CCCC2C(=O)NCC3=CC=CO3)C 1 2.546 3 3 -13.9051403018265 3230199 CC1=CC(=CC=C1)NC(=O)N2CCCC2C(=O)NC3=CC=CC=C3 1 2.871 3 2 -6.41875885914768 3230197 CC1=CC(=CC=C1)NC(=O)N2CCCC2C(=O)NCC3=CC=CS3 1 2.618 3 2 -12.4208901438267 3230192 CC1=CC(=CC=C1)NC(=O)N2CCCC2C(=O)NCC3=CC=CC=C3 1 2.878 3 2 -10.3874532064291 3230182 CC1=CC=CC=C1NC(=O)N2CCCC2C(=O)NCC3=CC=CS3 1 2.618 3 2 -16.6475829705666 3230180 CC1=CC=CC=C1NC(=O)N2CCCC2C(=O)NCC3=CC=CC=C3 1 2.878 3 2 -14.6851648036567 3230176 COCCNC(=O)C(C1=CC=CC=C1Cl)OC(=O)C2=CC=CO2 1 2.392 1 5 -13.4812703556198 3230139 C1CCC2=NC3=CC(=NN3C(=C2C1)N4CCCC(C4)O)C5=CC(=CC=C5)F 1 4.427 4 1 3.92758909409019 3230077 COC1=CC=CC(=C1)C2=NN3C(=C2)N=C(C=C3N4CCCC(C4)O)C5=CC=CC=C5 1 4.632 4 2 2.81460205203363 3230060 COCCN1CCN(CC1)C2=CC(=NC3=CC(=NN32)C4=CC(=CC=C4)F)C5=CC=CC=C5 1 4.73 5 1 4.26769256185875 3230059 CN(C)CCCNC1=CC(=NC2=CC(=NN21)C3=CC(=CC=C3)F)C4=CC=CC=C4 1 4.751 5 0 1.25902243678831 3230053 COCCNC1=CC(=NC2=CC(=NN21)C3=CC(=CC=C3)F)C4=CC=CC=C4 1 4.419 4 1 -2.35893780580301 3230027 COC1=CC=C(C=C1)C2=NN3C(=C2)N=C(C=C3N4CCCC(C4)O)C5=CC=CC=C5 1 4.632 4 2 1.33509932830929 3230013 C1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)NCCCO)C4=CC=C(C=C4)F 1 4.073 4 1 0.355880977662572 3230006 COCCNC1=CC(=NC2=CC(=NN21)C3=CC=C(C=C3)F)C4=CC=CC=C4 1 4.419 4 1 -4.38330910767429 3229980 CCC1=C(N2C(=CC(=N2)C3=CC(=CC(=C3)OC)OC)N=C1C)N4CCN(CC4)CCOCC 1 4.118 5 3 0 -5.89843604083226 3229979 CCC1=C(N2C(=CC(=N2)C3=CC(=CC(=C3)OC)OC)N=C1C)N4CCN(CC4)CCN5CCOCC5 1 3.727 6 3 0 -7.61753283075996 3229957 CCN(CC)CCCNC1=CC(=NC2=CC(=NN21)C3=CC=CS3)C 1 3.532 5 0 -8.28409072601229 3229956 CC1=NC2=CC(=NN2C(=C1)NCCCN(C)C)C3=CC=CS3 1 2.834 5 0 -6.72249748524551 3229955 CC1=NC2=CC(=NN2C(=C1)NCCCO)C3=CC=CS3 1 2.156 4 1 -5.60126764249997 3229948 CN(C)CCCNC1=C2CCCC2=NC3=CC(=NN31)C4=CC(=CC=C4)F 1 3.868 5 0 1.79540403150245 3229941 C1CC2=C(N3C(=CC(=N3)C4=CC=C(C=C4)Cl)N=C2C1)NCCCO 1 3.649 4 1 1.34203054703527 3229926 CC1=CC=CC(=C1)C2=NN3C(=C2)N=C(C(=C3NCCCN4C=CN=C4)C)C 1 3.456 6 0 4.7485703211733 3229912 CC1=CC=CC(=C1)C2=NN3C(=C2)N=C(C=C3NCCCN4C=CN=C4)C 1 2.97 6 0 1.30667318541773 3229911 CC1CC(CN(C1)C2=CC(=NC3=CC(=NN32)C4=CC(=CC=C4)C)C)C 1 5.075 4 0 -1.12260491298518 3229910 CCC1CCCCN1C2=CC(=NC3=CC(=NN32)C4=CC(=CC=C4)C)C 1 5.338 4 0 -0.475498256579395 3229909 CC1CC(CN(C1)C2=CC(=NC3=CC(=NN32)C4=CC=C(C=C4)OC)C)C 1 4.573 4 1 -4.65167883198806 3229906 CCOC(=O)C1CCCN(C1)C2=CC(=NC3=CC(=NN32)C4=CC=C(C=C4)Cl)C 1 4.509 4 2 -5.4794214453027 3229905 CC1=NC2=CC(=NN2C(=C1)NCCCN3C=CN=C3)C4=CC=C(C=C4)Cl 1 3.148 6 0 1.25641661458147e-002 3229890 CC1CC(CN(C1)C(=O)CN2C3=CC=CC=C3N=C2SCC(=O)N4CCC5=CC=CC=C5C4)C 1 4.38 4 2 -21.6120205759525 3229847 CCN(CC)C(=O)CSC1=NC2=CC=CC=C2N1CC(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.476 5 3 0 -19.349701195887 3229781 COCCCNC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 0.13 7 3 0 -17.9809648728914 3229780 COCCCNC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 1.486 6 3 0 -17.4356494546928 3229772 C1CN(CCN1C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F)C(=O)C5=CC=CO5 1 2.037 7 4 0 -10.3904088462141 3229592 CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)NC3CCCC3 1 3.825 2 1 -0.626867057623052 3229480 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4 1 2.987 4 3 0 -15.9054733027855 3229479 CCCCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 3.809 3 2 -4.09605986321441 3229426 COCCN(C1=NC2=CC=CC=C2S1)C(=O)NC3=CC=C(C=C3)OC 1 3.207 3 3 -1.24569097488107 3229425 CN1CCCC1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4OC 1 4.12 3 2 -3.02899103204553 3229420 CC1=NC2=C(C(=N1)NCC3CCCO3)N=NN2CC4=C(C=CC=C4Cl)F 1 2.704 6 1 0 -13.3616064970278 3229419 CCOCCCNC1=NC(=NC2=C1N=NN2CC3=C(C=CC=C3Cl)F)C 1 2.626 6 1 0 -13.7962542890663 3229405 CCOC(=O)C1=CC2=C(N1CC(=O)N3C(CCCC3C)C)C=CN2C 1 3.353 3 3 -10.5156103371872 3229404 CCOC(=O)C1=CC2=C(N1CC(=O)N3CCCC(C3)C)C=CN2C 1 2.918 3 3 -10.8567583229815 3229399 CCOC(=O)C1=CC2=C(N1CC(=O)NCCOC)C=CO2 1 1.149 2 5 0 -17.8939752197452 3229394 CC1C(=O)N(C2=CC=CC=C2S1)CC(=O)N(C(C)C)C(C)C 1 2.586 2 2 -6.78100330097358 3229365 CC1=CC=C(O1)C(C(=O)NC(C)C)N(C2=CC(=CC=C2)OC)C(=O)CN3N=C(N=N3)C4=CC=CS4 1 3.33 6 4 0 -14.4110418745582 3229353 CC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)C(F)(F)F)N(CC3=CC=C(C=C3)F)CC4=CC=CO4 1 5.553 5 1 -3.2135581455455 3229350 CC(C)(C)N1C(=NN=N1)C(C2=CN=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CS4 1 3.813 6 0 -11.4562273701122 3229320 CC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)C(F)(F)F)N(CC3=CC=CC=C3)CC4=CC=CO4 1 5.348 5 1 -4.5588706362523 3229318 CC(C)(C)N1C(=NN=N1)C(C2=CC=NC=C2)N(CC3=CC=CC=C3)CC4=CC=CO4 1 3.255 6 1 0 -8.88043261517585 3229317 CC(C)(C)N1C(=NN=N1)C(C2=CN=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CO4 1 3.255 6 1 0 -12.0271014361769 3229312 CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(C3=CC=CC=N3)C4=NN=NN4C(C)(C)C 1 5.902 6 0 -4.20238586367791 3229309 CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=N2)N(CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl 1 5.166 6 0 -5.00730050366792 3229300 C1CCC(CC1)N2C(=NN=N2)C(C3=CN=CC=C3)N4CCN5CCCC5C4 1 2.28 7 0 0 -18.9536263566976 3229283 CC(C)(C)N1C(=NN=N1)C(C2=CN=CC=C2)N3CCN(CC3)C4=CC=CC=C4F 1 2.741 7 0 0 -10.3017678842689 3229279 C1CN(CCN1C2=CC=CC=C2)C(C3=CC=CC=N3)C4=NN=NN4CC5=CC=CC=C5 1 3.616 7 0 0 -13.7700011275748 3229276 CC(C)(C)N1C(=NN=N1)C(C2=CN=CC=C2)N3CCN(CC3)C4=CC=CC=C4 1 2.536 7 0 0 -11.1362824259252 3229272 CC(C)(C)N1C(=NN=N1)C(C2=CC=CC(=C2)C#N)N3CCCCCC3 1 3.309 6 0 -13.7493775415692 3229264 COC1=CC=CC=C1C(C2=NN=NN2CCC3=CC=CC=C3)N4CCCCCC4 1 4.387 5 1 -18.0612047703394 3229248 CC(C)(C)N1C(=NN=N1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCC(CC3)O 1 2.432 5 1 -7.07995581088398 3229238 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(C3=CC=CC=N3)C4=NN=NN4CCOC 1 3.053 7 1 0 -12.9891709581512 3229226 CCC(C)(C)N1C(=NN=N1)C(C2=CC=CC=N2)N3CCN(CC3)C4=CC(=CC=C4)OC 1 3.471 7 1 0 -8.17617910101809 3229225 CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=N2)N3CCN(CC3)C4=CC(=CC=C4)OC 1 2.948 7 1 0 -7.41224074063481 3229224 C1CCC(C1)N2C(=NN=N2)C(C3=CC=CC=N3)N4CCN(CC4)C5=CC=C(C=C5)O 1 3.193 7 1 0 -15.371896053344 3229223 CC(C)(C)N1C(=NN=N1)C(C2=CC=NC=C2)N3CCN(CC3)C4=CC=C(C=C4)O 1 2.294 7 1 0 -6.22667538181178 3229220 CC1=C(C(=CC=C1)N2CCN(CC2)C(C3=CC=CC=N3)C4=NN=NN4CCOC)C 1 2.874 7 1 0 -11.8221449944189 3229217 CC1=C(C(=CC=C1)N2CCN(CC2)C(C3=CC=NC=C3)C4=NN=NN4C(C)(C)C)C 1 3.508 7 0 0 -4.83353540272604 3229211 CCC(C)(C)N1C(=NN=N1)C(C2=CN=CC=C2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 4.002 7 0 0 -6.19987415040843 3229199 CCN(CC1=CC=CC=C1)C(C2=CC=C(C=C2)C(F)(F)F)C3=NN=NN3C(C)(C)C 1 4.931 5 0 -3.67433348963439 3229197 CCN(CC1=CC=CC=C1)C(C2=CC=CC=N2)C3=NN=NN3C4CCCCC4 1 4.194 6 0 -18.2077842682032 3229177 C1CCC(C1)N2C(=NN=N2)C(C3=CC=CC=N3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6 1 4.959 7 0 0 -22.7284324610495 3229176 CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 4.488 7 0 0 -13.5212923285089 3229174 C1CCC(C1)N2C(=NN=N2)C(C3=CC=C(C=C3)C#N)N4CCC(CC4)CC5=CC=CC=C5 1 5.064 6 0 -18.4394958852694 3229173 C1CCC(C1)N2C(=NN=N2)C(C3=CC=CC(=C3)C#N)N4CCC(CC4)CC5=CC=CC=C5 1 5.064 6 0 -18.8103802814824 3229165 CCC(C)(C)N1C(=NN=N1)C(C2=CC=NC=C2)N3CCC(CC3)CC4=CC=CC=C4 1 4.087 6 0 -8.17987208152839 3229160 CCC(C)(C)N1C(=NN=N1)C(C2=CN=CC=C2)N3CCC(CC3)CC4=CC=CC=C4 1 4.087 6 0 -10.9483018193605 3229149 COC1=CC=CC=C1N2CCN(CC2)C(C3=CC=CC=N3)C4=NN=NN4C5CCCCC5 1 3.875 7 1 0 -19.9686157992818 3229145 COCCN1C(=NN=N1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3 1 1.625 5 2 0 -14.9088868659809 3229139 C1COCCN1C(C2=CN=CC=C2)C3=NN=NN3CCC4=CC=CC=C4 1 1.567 6 1 0 -19.5482263998092 3229138 CC(C)(C)N1C(=NN=N1)C(C2=CN=CC=C2)N3CCOCC3 1 0.594 6 1 0 -15.1017573649608 3229130 CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2OC)N3CCCC4=CC=CC=C43 1 4.244 5 1 -15.5237239875359 3229125 CCC(C)(C)N1C(=NN=N1)C(C2=CC=NC=C2)N3CCC(CC3)C 1 2.599 6 0 -14.8710709336478 3229118 CCC(C)(C)N1C(=NN=N1)C(C2=CN=CC=C2)N3CCCC(C3)C 1 2.666 6 0 -15.1031778135917 3229114 CCC(C)(C)N1C(=NN=N1)C(C2=CC=CC=N2)N3CCCCC3 1 2.776 6 0 -12.4313700481019 3229111 C1CCC(CC1)N2C(=NN=N2)C(C3=CN=CC=C3)N4CCCCC4 1 2.751 6 0 -23.6616269804398 3229088 CN(C1CCCCC1)C(=O)CN2N=C(N=N2)C3=CC(=CC=C3)C(F)(F)F 1 3.571 5 1 0.14606660027609 3229076 CCOC(=O)C1=CC=CC=C1NC(=O)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3 1 3.534 5 3 0 -17.8665191118798 3229072 C1CN(CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)NCCC4=CC=CC=C4 1 2.921 5 1 -19.2944991332877 3229070 CC1CC2=CC=CC=C2N1C(=O)CN3CCC(CC3)N4C5=C(C=C(C=C5)C(F)(F)F)N=N4 1 3.988 5 1 -12.80931561407 3229068 COC1=CC=C(C=C1)C(=O)NNC(=O)CN2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3 1 1.833 6 3 0 -18.4821656500282 3229067 CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)CC(=O)NNC(=O)C4=CC=C(C=C4)OC 1 2.114 6 3 0 -16.6657670538089 3229066 COC1=CC=C(C=C1)C(=O)NNC(=O)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3 1 2.57 6 3 0 -14.1937647430804 3229048 CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)CC(=O)NNC(=O)C4=CC=CO4 1 1.526 6 3 0 -16.3656457800508 3229047 C1CN(CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)CC(=O)NNC(=O)C4=CC=CO4 1 1.982 6 3 0 -13.8936434693223 3229041 C1CN(CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)NNC(=O)C4=CC=CC=C4 1 1.85 6 2 0 -18.8648470083934 3229040 CCOC(=O)CN(C1=CC=CC=C1)C(=O)CN2CCC(CC2)N3C4=C(C=C(C=C4)C)N=N3 1 3.136 5 3 0 -16.6844826998876 3229039 C1CN(CCC1N2C3=C(C=C(C=C3)F)N=N2)CC4=C(C=CC=C4Cl)Cl 1 4.869 4 0 -9.39965145239899 3228996 CC1CCCC(N1C(=O)CSC2=NN=NN2C3=CC=CC4=C3CCCC4)C 1 4.251 5 1 -24.0846104295384 3228995 C1CCN(CC1)C(=O)CSC2=NN=NN2C3=CC=CC4=C3CCCC4 1 3.496 5 1 -23.3583880954765 3228994 C1CCC2=C(C1)C=CC=C2N3C(=NN=N3)SCC(=O)N4CCCC4 1 3.04 5 1 -23.0039195813084 3228993 C1CCC(C1)NC(=O)CSC2=NN=NN2C3=CC=CC4=C3CCCC4 1 3.775 5 1 -25.1719239327405 3228990 CCN(CC)C(=O)CSC1=NN=NN1C2=CC(=C(C=C2)F)Cl 1 2.633 5 1 -22.8335741827324 3228989 CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=NN2C3CCCC3 1 2.002 5 2 0 -26.0252122316333 3228985 COC1=CC(=CC(=C1)NC(=O)CSC2=NN=NN2C3CCCC3)OC 1 2.229 5 3 0 -30.4896209767785 3228984 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=NN2C3CCCC3 1 2.229 5 3 0 -29.7889780796865 3228983 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3CCCC3)OC 1 2.229 5 3 0 -31.6963459583534 3228982 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=NN2C3CCCC3 1 2.732 5 2 0 -29.5239043343594 3228981 CCOC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3CCCC3 1 2.594 5 2 0 -31.4526331506076 3228980 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3CCCC3 1 2.594 5 2 0 -28.3068570150245 3228979 COC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3CCCC3 1 2.245 5 2 0 -27.5406338633165 3228978 CC1=CC(=CC=C1)NC(=O)CSC2=NN=NN2C3CCCC3 1 2.748 5 1 -25.2400221008432 3228977 C1CCC(C1)N2C(=NN=N2)SCC(=O)NCC3=CC=CC=C3 1 2.269 5 1 -31.8175461843015 3228976 C1CCC(C1)N2C(=NN=N2)SCC(=O)N3CCOCC3 1 0.579 5 2 0 -30.1119227390043 3228975 CC1CCCC(N1C(=O)CSC2=NN=NN2C3CCCC3)C 1 2.563 5 1 -29.3938346195853 3228974 CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=NN3C4CCCC4 1 2.92 5 1 -29.0134932860521 3228959 CC1=C(C(=NN1C)C)NC(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5=CC=CC=C5Cl 1 4.756 7 1 0 -7.42334652277373 3228953 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CSC3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C6=CC=CC=C6 1 5.675 7 1 0 -10.217742121569 3228950 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CSC3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C6CC6 1 4.769 7 1 0 -14.1298215922828 3228948 CC1=C(C(=NN1C)C)NC(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5 1 3.185 7 1 0 -10.0292665360833 3228947 C1CC1C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)SCC(=O)NC5=CNC(=O)NC5=O 1 0.97 7 3 0 -18.3868521178864 3228938 CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)NC4=CNC(=O)NC4=O 1 1.341 7 3 0 -18.7029204135344 3228933 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C1=CC=C2C(=C1)NC(=N2)C3=C(N=CC=C3)SCC#N 1 2.931 4 0 -4.77228258477199 3227714 CCC(=O)N(CCN1CCOCC1)CC2=C(N=C3C=C4C(=CC3=C2)OCO4)Cl 1 2.484 3 4 0 -5.47248250771466 3227704 CCC(C)NC(=O)C1=NC(=O)C2=NNN(C2=N1)CC3=CC=CC=C3Cl 1 1.941 6 2 0 -12.2556411802454 3227703 C1CC(OC1)CNC(=O)C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4Cl 1 1.049 6 3 0 -12.6880322731019 3227699 CC1=CC(=C(C=C1)C)CN2C3=NC(=NC(=O)C3=NN2)C(=O)NCCCOC 1 0.93 6 3 0 -10.8830581041142 3227698 CC1=CC(=C(C=C1)C)CN2C3=NC(=NC(=O)C3=NN2)C(=O)NCCOC 1 0.868 6 3 0 -10.2494459282605 3227695 C#CCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl 1 2.333 3 4 0 -17.3484513559699 3227693 CCCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl 1 2.013 3 4 0 -19.9335008044331 3227692 C1CN(CCC1C(=O)NCC2=CN=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)Cl 1 1.574 4 4 0 -19.8127795272617 3227691 C=CCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.758 3 4 0 -19.9290711009832 3227676 CC1=CC=C(C=C1)CNC(=O)C(C2=CC=C(C=C2)OC)OC(=O)C3=CC=CO3 1 3.912 1 5 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3227524 CC(C)(C)NC(=O)C(C1=CC=CC=N1)N(C2=CC=C(C=C2)F)C(=O)C3CC(=O)SC3 1 2.708 3 3 -12.9906917632152 3227517 CCC(C)C(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCC(=O)N3 1 2.27 3 3 -1.90266592685408 3227459 COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NN=C4N3C(=NC5=CC=CC=C54)CC6=CC=CC=C6 1 4.93 6 2 0 -12.1707906871418 3227448 COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NN=C4N3C(=NC5=CC=CC=C54)C6CCCCC6 1 5.358 6 2 0 -12.1678950651415 3227443 CC1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C(=NC4=CC=CC=C43)C5CCCCC5 1 6.221 4 1 -7.46055183957522 3227439 CC(=O)CSC1=NN=C2N1C(=NC3=CC=CC=C32)C(C)(C)C 1 3.481 4 1 -9.4685166226055 3227435 CC(C)(C)C1=NC2=CC=CC=C2C3=NN=C(N31)SCC(=O)NC4=NC5=CC=CC=C5S4 1 5.161 6 1 0 -10.7154130229171 3227432 CC1=CSC(=N1)NC(=O)CSC2=NN=C3N2C(=NC4=CC=CC=C43)C(C)(C)C 1 3.815 6 1 0 -13.5810696624939 3227422 CC(C)(C)C1=NC2=CC=CC=C2C3=NN=C(N31)SCC(=O)NC4=NC=CS4 1 3.532 6 1 0 -13.9068477777255 3227410 CC1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C(=NC4=CC=CC=C43)C(C)(C)C 1 5.641 4 1 -6.73789288551529 3227392 COC1=C(C=C2C(N(CCC2=C1)C(=O)C3CC3)C4=CC5=CC6=C(C=C5NC4=O)OCO6)OC 1 2.725 2 6 0 -19.2052953641902 3227390 CC(C)C(=O)N1CCC2=CC(=C(C=C2C1C3=CC4=CC5=C(C=C4NC3=O)OCO5)OC)OC 1 3.097 2 6 0 -18.1175872499947 3227389 CCCC(=O)N1CCC2=CC(=C(C=C2C1C3=CC4=CC5=C(C=C4NC3=O)OCO5)OC)OC 1 3.091 2 6 0 -23.8173583639822 3227385 CC1=NC2=NC3=CC=CC=C3N2C(=C1)NC4CCCCC4 1 4.439 4 0 -5.10299958275178 3227384 CCC1=C(N2C(=NC=N2)N=C1C)N3CCCC(C3)C(=O)NC4=C(C=CC(=C4)F)C 1 4.25 6 1 0 -9.56645683448455 3227376 CCC1=C(N2C(=NC=N2)N=C1C)N3CCCC(C3)C(=O)NCC4=CC=CS4 1 3.305 6 1 0 -19.1860304509524 3227369 CC1=NC2=NC=NN2C(=C1)N3CCCC(C3)C(=O)NC4=CC(=CC=C4)Cl 1 3.28 6 1 0 -4.36888127268722 3227367 CC1=NC2=NC=NN2C(=C1)N3CCCC(C3)C(=O)NC4=CC=CC=C4OC 1 2.6 6 2 0 -9.87170252929103 3227361 CC1=NC2=NC=NN2C(=C1)N3CCCC(C3)C(=O)NC4=CC=CC5=CC=CC=C54 1 3.524 6 1 0 -7.31633553684203 3227360 CC1=C(N2C(=NC=N2)N=C1C)N3CCCC(C3)C(=O)NC4=CC=CC=C4Br 1 3.85 6 1 0 -7.38192269166033 3227358 CCC1=C(N2C(=NC=N2)N=C1C)N3CCCC(C3)C(=O)NC4=CC=C(C=C4)NC(=O)C 1 2.679 7 2 0 -12.2754859255003 3227349 CCC1=C(N2C(=NC=N2)N=C1C)N3CCCC(C3)C(=O)NC4=CC=CC=C4OCC 1 3.891 6 2 0 -12.5543095385399 3227347 CCC1=C(N2C(=NC=N2)N=C1C)N3CCCC(C3)C(=O)NC4=CC=C(C=C4)OCC 1 3.891 6 2 0 -10.0464582463921 3227346 CC1=NC2=NC=NN2C(=C1)N3CCCC(C3)C(=O)NC4=CC=C(C=C4)OC 1 2.6 6 2 0 -7.39087883431516 3227332 CCCNC(=O)C1CCN(CC1)C2=CC(=NC3=NC=NN23)C4=CC=CC=C4 1 3.441 6 1 0 -12.4605084311381 3227325 CCC1=C(N2C(=NC=N2)N=C1C)N3CCC(CC3)C(=O)NCC4=CC=CS4 1 3.17 6 1 0 -17.5025433100574 3227306 CC1=NC2=NC=NN2C(=C1CC3=CC=CC=C3)N4CCC(CC4)C(=O)NC5=CC=C(C=C5)NC(=O)C 1 3.576 7 2 0 -11.3635873678074 3227286 CC1=CC=CC=C1NC(=O)C2CCN(CC2)C3=CC(=NC4=NC=NN34)C5=CC=CC=C5 1 4.631 6 1 0 -4.65986826309858 3227283 CCC1=C(N2C(=NC=N2)N=C1C)NC3CCCC4=CC=CC=C34 1 4.412 5 0 -11.6044148665573 3227274 C#CCNC1=CC(=NC2=NC=NN12)C3=CC=CC=C3 1 3.727 5 0 -9.67846460988343 3227273 CCC1=C(N2C(=NC=N2)N=C1C)NCCC3=CC=C(C=C3)Cl 1 4.382 5 0 -8.28710641165804 3227271 COC1=CC=C(C=C1)CCNC2=CC(=NC3=NC=NN23)C4=CC=CC=C4 1 4.423 5 1 -6.74668118209335 3227255 CC1=NC2=NC=NN2C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 2.717 6 2 0 -18.9792851474837 3227251 CC1=NC2=NC=NN2C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C 1 0.929 7 3 0 -25.9429950724803 3227250 CCC1=C(N2C(=NC=N2)N=C1C)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC 1 2.734 6 3 0 -23.5169949727889 3227249 CC1=C(N2C(=NC=N2)N=C1C)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br 1 3.043 6 2 0 -20.1927281316013 3227248 CC1=NC2=NC=NN2C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br 1 2.557 6 2 0 -20.4984663926108 3227246 CC1=C(N2C(=NC=N2)N=C1C)N3CCN(CC3)C(=O)C4=CC(=CC=C4)F 1 2.797 6 1 0 -9.03641084525792 3227222 CCC1=CC(=CC=C1)NC2=C3CCCC3=NC4=NC=NN24 1 4.336 5 0 -5.64549234564766 3227218 CCC1=C(N2C(=NC=N2)N=C1C)NCC3=CC=CS3 1 3.137 5 0 -13.1628119689133 3227215 C1=CSC(=C1)CNC2=CC(=NC3=NC=NN23)C(F)(F)F 1 3.282 5 0 -10.6134901745209 3227179 CCC1=CC=CC2=C1N=C(N=C2SC(C)C(=O)NCC3CCCO3)C4=CC=CC=C4 1 4.934 3 2 -8.83587482156451 3227177 CC1=C2C(=C(C=C1)C)N=C(N=C2SC(C)C(=O)NCC3=CC=CO3)C4=CC=CC=C4 1 5.37 3 2 -6.21513167105597 3227173 CC1=CC2=C(C=C1)N=C(N=C2SC(C)C(=O)NCC3=CC=CS3)C4=CC=CC=C4 1 5.442 3 1 -4.08751393519581 3227163 CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC3CCCC3)C 1 2.611 3 3 -13.5316363706891 3227089 CC1CC(CN(C1)C(=O)CSC2=NN=C(N2C)CSC3=NC=CC=N3)C 1 2.365 6 1 0 -20.0641113402247 3227084 CC1CCCCN1C(=O)CSC2=NN=C(N2C)CSC3=NC=CC=N3 1 2.104 6 1 0 -19.1031505194834 3227076 CC1=CC=C(C=C1)C(=O)N2CCC(CC2)NC(=O)C(CC3=CC(=CC(=C3)OC)OC)NC(=O)C 1 1.961 3 5 0 -19.4027327348873 3227074 CC(=O)NC(CC1=CC(=CC(=C1)OC)OC)C(=O)NC2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.426 3 8 0 -23.5337464310238 3227072 CC(=O)NC(CC1=CC(=CC(=C1)OC)OC)C(=O)NC2CCN(CC2)C(=O)C3CC3 1 0.569 3 5 0 -23.3370065651276 3227071 CC(=O)NC(CC1=CC(=CC(=C1)OC)OC)C(=O)NC2CCN(CC2)C(=O)NC3=CC=CC=C3Cl 1 2.048 4 5 0 -19.4007982052838 3227065 CC(=O)NC(CC1=CC(=C(C=C1)OC)OC)C(=O)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.37 4 7 0 -22.0202870247856 3227063 CC(=O)NC(CC1=CC(=C(C=C1)OC)OC)C(=O)NC2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC 1 1.442 3 7 0 -21.6671159701202 3227061 CC(=O)NC(CC1=CC(=C(C=C1)OC)OC)C(=O)NC2CCN(CC2)C(=O)C3CC3 1 0.569 3 5 0 -23.7847291506505 3227059 CC(=O)NC(CC1=CC(=C(C=C1)OC)OC)C(=O)NC2CCN(CC2)C(=O)NC3=CC=C(C=C3)Cl 1 2.048 4 5 0 -18.3282657912456 3227057 CCC1=CC=CC=C1NC(=O)N2CCC(CC2)NC(=O)C(CC3=CC(=C(C=C3)OC)OC)NC(=O)C 1 2.326 4 5 0 -22.0449206527748 3227048 CC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC2CCN(CC2)C(=O)C3=NC=CN=C3 1 -0.381 5 4 0 -20.5265482408763 3227045 CC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC2CCN(CC2)C(=S)NC 1 1.441 4 3 0 -21.2401123159786 3227043 CC(=O)NC(CC1=CC=CC=C1OC)C(=O)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.386 4 6 0 -19.6343670961525 3227040 CC(=O)NC(CC1=CC=CC=C1OC)C(=O)NC2CCN(CC2)C(=O)NC3=CC=CC=C3Cl 1 2.064 4 4 0 -17.7064477762041 3227039 CC1=CC=CC(=C1)C(=O)N2CCC(CC2)NC(=O)C(CC3=CC(=CC=C3)F)NC(=O)C 1 2.2 3 3 -13.700938545565 3227037 CC1=CC=C(C=C1)C(=O)N2CCC(CC2)NC(=O)C(CC3=CC(=CC=C3)F)NC(=O)C 1 2.2 3 3 -13.6431061178968 3227036 CC(=O)NC(CC1=CC=CC=C1F)C(=O)NC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.416 3 4 0 -27.2469203414855 3227033 CC1=CC=C(C=C1)C(=O)N2CCC(CC2)NC(=O)C(CC3=CC=CC=C3OC)NC(=O)C 1 1.978 3 4 0 -17.5399693087952 3227029 CC(C)C1=CC=C(C=C1)CC(C(=O)NC2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)NC(=O)C 1 2.653 3 6 0 -18.6475003106318 3227028 CC1=CC=CC(=C1)C(=O)N2CCC(CC2)NC(=O)C(CC3=CC=C(C=C3)C(C)C)NC(=O)C 1 3.188 3 3 -14.0572129760928 3227023 CC1=CC=C(C=C1)C(=O)N2CCC(CC2)NC(=O)C(CC3=CC=CC=C3C)NC(=O)C 1 2.48 3 3 -16.6851181956181 3227021 CC1=CC=C(C=C1)CC(C(=O)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C 1 1.888 4 5 0 -17.1834769680828 3227019 CC1=CC(=CC=C1)CC(C(=O)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C 1 1.888 4 5 0 -16.3501047180302 3227017 CC1=CC=CC(=C1)C(=O)N2CCC(CC2)NC(=O)C(CC3=CC=CC=C3C)NC(=O)C 1 2.48 3 3 -16.27673981141 3227016 CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.402 4 5 0 -17.9982918728624 3227015 CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCN(CC2)C(=S)NC 1 1.458 4 2 0 -21.641961011614 3227011 CCC1=CC=CC=C1NC(=O)N2CCC(CC2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C 1 2.359 4 3 0 -18.1913384978641 3227007 CC(=O)NC(CC1=CC=C(C=C1)F)C(=O)NC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.416 3 4 0 -24.398115249111 3226971 CC(=O)NC(CC1=CC=C(C=C1)F)C(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)OC 1 1.658 4 4 0 -11.9690208959639 3227002 CC(=O)NC(CC1=CC=C(C=C1)F)C(=O)NC2CCN(CC2)C(=S)NC 1 1.663 4 2 0 -20.1152690813692 3226990 CC(=O)NC(CC1=CC(=C(C=C1)OC)OC)C(=O)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)Cl 1 2.1 4 5 0 -14.495710416504 3226989 CC(=O)NC(CC1=CC(=C(C=C1)OC)OC)C(=O)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)F 1 1.641 4 5 0 -15.453574007579 3226984 CC1=CC(=C(C=C1)C)CC(C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C 1 2.427 4 5 0 -14.0522768941013 3226983 CC1=CC(=C(C=C1)C)CC(C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)NC(=O)C 1 3.281 3 3 -11.5925401612587 3226982 CC1=CC(=C(C=C1)C)CC(C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3Br)NC(=O)C 1 3.281 3 3 -12.6602243573035 3226980 CC(=O)NC(CC1=CC=CC=C1OC)C(=O)N2CCN(CC2)C(=O)C3=CC=CS3 1 1.497 3 4 0 -19.9440852930438 3226977 CC(C)CNC(=S)N1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)C 1 2.702 4 2 -20.4969107999178 3226976 CCNC(=S)N1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)C 1 1.859 4 2 0 -19.9075672624113 3226946 CCC(C)NC1=CC(=NC2=NC=NN12)C 1 2.121 5 0 -14.230069475633 3226920 CCOCCCNC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.326 5 4 0 -33.5501153762592 3226918 CC(C)CCNC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.626 5 3 0 -32.2486491883556 3226916 CCCCNC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.374 5 3 0 -30.693164958306 3226914 CN1C(=NN=C1SCC(=O)NCC=C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.663 5 3 0 -30.4145164417735 3226877 CC1=C(C(=NO1)C)C(=O)N(CC2=CC=CC=C2F)CC(=O)NC3CCCC3 1 2.377 3 3 -14.0448775549585 3226874 CC1=C(C(=CC=C1)C)NC(=O)CS(=O)CC(=O)NCCCC2=CC=CC=C2 1 2.712 2 3 -9.87958875243768 3226871 CC1=CC(=C(C(=C1)C)NC(=O)CS(=O)CC(=O)NCCCC2=CC=CC=C2)C 1 3.199 2 3 -8.78778298780586 3226870 CC1=CC(=C(C(=C1)C)NC(=O)CS(=O)CC(=O)NC2=C(C=C(C=C2)F)F)C 1 2.825 2 3 -2.89546187136875 3226868 CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)C 1 3.113 2 4 -10.1855885664449 3226866 CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 1.423 2 5 0 -19.0633428258361 3226853 CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=NC=C3)C 1 2.284 3 4 0 -11.3684635601105 3226852 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=NC=C3 1 1.906 3 4 0 -13.2991721982285 3226830 CC1=C(C=C(C=C1)NC(=O)CS(=O)CC(=O)NCCCC2=CC=CC=C2)Cl 1 2.891 2 3 -7.13081159072349 3226804 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCN(C3)CC4=CC=CC=C4 1 2.818 3 4 0 -15.982517513786 3226798 CCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 8.9e-002 2 6 0 -27.2044334640444 3226795 CCCCNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2 1 1.413 3 4 0 -6.64348678519199 3226744 CCC1=CC=C(C=C1)NC(=O)CS(=O)CC(=O)NCCCC2=CC=CC=C2 1 2.682 2 3 -7.93727813390784 3226739 CC1(CC(CCO1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)C 1 0.281 2 5 0 -13.4173921788315 3226736 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CCOC(C2)(C)C 1 1.267 2 5 0 -15.2279745156018 3226730 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC(C)C3=CC=CS3 1 2.902 2 4 -18.6215172955541 3226716 C1CCC(CC1)NC(=O)NCCCN2CCCC2=O 1 0.944 3 2 0 -24.5677156594124 3226702 CC1=CC=CC2=C1N=C(N=C2SCC(=O)NCC3CCCO3)C4=CC=C(C=C4)F 1 4.199 3 2 -10.8169375255265 3226697 CCC1=CC=CC2=C1N=C(N=C2SCC(=O)NCC3CCCO3)C4=CC=C(C=C4)F 1 4.655 3 2 -12.0510443594425 3226686 CCC(C)(C)NC(=O)C(C1=CC=NC=C1)N(C2=CC=C(C=C2)C)C(=O)C3=C(N=C(S3)C)C 1 3.68 4 2 -13.7119000303686 3226656 CCC(C)(C)NC(=O)C(C1=CC=NC=C1)N(C2=CC=C(C=C2)F)C(=O)C3=C(N=C(S3)C)C 1 3.399 4 2 -12.8117264105695 3226642 CC1=CC(=CC=C1)N(C(C2=CC=NC=C2)C(=O)NCCOC)C(=O)C3=C(N=C(S3)C)C 1 2.094 4 3 0 -14.6463913686014 3226607 CCCCNC(=O)CSC1=NN=C(N1CC2CCCO2)CC3=CC=CC=C3 1 3.19 4 2 -30.8915181069479 3226595 CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4CCCC4)C 1 3.856 5 1 -17.877401932888 3226582 CC(C)(C)NC(=O)CN(CC1=CC=CS1)C(=O)CN2C3=CC=CC=C3C(=O)C2=O 1 1.456 3 4 0 -12.8419351296377 3226580 CC(C)(C)NC(=O)CN(C(=O)CN1C2=CC=CC=C2C(=O)C1=O)C(C)(C)C 1 1.064 3 4 0 -10.9738622917924 3226537 CCOC(=O)C(=O)NC1=NC(=C(S1)C)C2=CC3=C(C=C2)N(CC3)C(=O)C4CC4 1 2.548 3 4 0 -15.4135241852034 3226531 CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)C4=C(SC(=N4)NC(=O)C)C 1 2.576 3 2 -12.3779695853472 3226526 CCC(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)N(C(C3)C)S(=O)(=O)C 1 2.13 3 3 -5.93376816562413 3226519 CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C3=CSC(=N3)NC(=O)CC4=CC=CC=C4 1 3.162 3 3 -7.653203166527 3226468 CCC(C)C(=O)NN1C(=NC2=CC(=C(C=C2C1=O)OC)OC)C3CC3 1 2.515 3 4 0 -11.0220400844874 3226447 C1=CC=C2C(=C1)C(=O)N(C(=N2)CC3=CC=CS3)NC(=O)C4=CC(=C(C=C4)F)F 1 3.932 3 2 -9.62677659016463 3226429 CC(C)CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.194 3 5 0 -11.4978746027551 3226312 CC1=CC=C(O1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl 1 3.371 3 3 4.61872731517567 3226310 CCOC1=CC=CC=C1NC(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(O4)C 1 2.947 4 4 0 -1.81753728314309 3226306 CC1=CC=C(O1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.601 4 5 0 -0.305614815370881 3226304 CC1=CC=C(O1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC(=C(C=C4)OC)OC 1 2.674 3 5 0 -1.84631998854265 3226303 CC1=CC=C(O1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC(=CC(=C4)OC)OC 1 2.674 3 5 0 -0.177971619789095 3226302 CC1=CC=C(O1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC=CC=C4Br 1 3.455 3 3 2.09438337402938 3226301 CC1=CC=C(O1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC=C(C=C4)C(C)(C)C 1 4.107 3 3 5.37486277370015 3226300 CC1=CC=CC(=C1)C(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(O4)C 1 3.193 3 3 3.11420464098794 3226297 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(O4)C 1 2.896 3 4 0 -3.92940085559085 3226294 CCOC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(O4)C 1 3.039 3 4 0 1.61753926373668 3226293 CC1=CC=C(O1)C2=NOC(=N2)C3CCCN(C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 3.318 3 4 0 -1.71674616642288 3226283 CC1=CC=C(O1)C2=NOC(=N2)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C 1 1.527 4 6 0 -6.57347459678705 3226279 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C3=NC(=NO3)C4=CC=CS4 1 3.325 3 2 -2.71913916480134 3226278 C1CCC(CC1)NC(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=CS4 1 3.309 4 2 -8.49644579924874 3226277 CCCC(=O)N1CCCC(C1)C2=NC(=NO2)C3=CC=CS3 1 2.578 3 2 -8.7704432402161 3226273 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Br)C3=NC(=NO3)C4=CC=CS4 1 3.868 3 2 -3.06567724478121 3226272 C1CC(CN(C1)C(=O)C2=CC=CC=C2Br)C3=NC(=NO3)C4=CC=CS4 1 3.868 3 2 -4.23075566735083 3226258 CCOC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=CS4 1 3.452 3 3 -4.61020555111875 3226255 CCC(CC)C(=O)N1CCCC(C1)C2=NC(=NO2)C3=CC=CS3 1 3.497 3 2 -5.23289816380535 3226254 CCC(C)C(=O)N1CCCC(C1)C2=NC(=NO2)C3=CC=CS3 1 3.041 3 2 -6.96066653215303 3226238 C1CC(CN(C1)C(=O)C2=C(C=C(C=C2)F)F)C3=NC(=NO3)C4=CC=CS4 1 3.53 3 2 -0.884238346731656 3226237 C1CC(CN(C1)C(=O)C2=C(C=CC=C2F)F)C3=NC(=NO3)C4=CC=CS4 1 3.53 3 2 -5.48002970633837 3226235 COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC=CC=C4 1 3.117 3 5 0 -3.66820571508919 3226231 COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)C3CCCN(C3)S(=O)(=O)C 1 1.243 3 6 0 -8.31860095400478 3226213 COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=C(C=CC=C4F)F 1 3.528 3 5 0 -4.82417743712685 3226204 C1CCC(CC1)CC(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5 1 3.451 4 4 0 -16.6497223156596 3226201 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NOC(=N3)C4CCCN(C4)C(=O)CC5=CC=CC=C5 1 2.779 4 4 0 -15.221204112992 3226157 C1CC(CN(C1)C(=O)C2=C(C=CC=C2F)F)C3=NC(=NO3)C4=CC=C(C=C4)Cl 1 4.241 3 2 2.41032511617905 3226147 CC1=CC=C(C=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC=CC=C4Br 1 4.4 3 2 1.83760046457977 3226144 CC1=CC=C(C=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC(=CC=C4)F 1 3.858 3 2 3.6924005649035 3226083 COC1=C(C=C(C=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=C(C=CC=C4F)F)OC 1 3.544 3 4 0 -3.30031150371138 3226081 COC1=CC=C(C=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)NC4=CC=CC=C4F 1 3.263 4 3 0 0.582827947684766 3226080 CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(C=C4)OC 1 3.636 3 3 2.1269795059951 3226079 COC1=CC=C(C=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC=CC=C4 1 3.149 3 3 1.33133193848575 3226076 COC1=CC=C(C=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F 1 3.355 3 3 2.83885653146035 3226073 COC1=CC=C(C=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)NC4=CC=CC=C4 1 3.058 4 3 0 1.4553794537436 3226071 COC1=CC=C(C=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)NC4=CC=C(C=C4)OC 1 3.041 4 4 0 0.785714649899399 3226064 CCCS(=O)(=O)N1CCCC(C1)C2=NC(=NO2)C3=CC=C(C=C3)OC 1 2.148 3 4 0 -9.6733004688257 3226059 COC1=CC=C(C=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC=CC=C4OC 1 3.133 3 4 0 -1.04391642698848 3226010 COC1=CC=CC(=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC=CC=C4OC 1 3.133 3 4 0 0.799022502927218 3226016 CCCC(=O)N1CCCC(C1)C2=NC(=NO2)C3=CC(=CC=C3)OC 1 2.608 3 3 -1.27211438751394 3226017 CCCCC(=O)N1CCCC(C1)C2=NC(=NO2)C3=CC(=CC=C3)OC 1 3.064 3 3 0.143337470612984 3226055 COC1=CC=C(C=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC(=CC=C4)F 1 3.355 3 3 3.27943435575936 3226053 CC1=CC=CC(=C1)C(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(C=C4)OC 1 3.636 3 3 2.632752116728 3226052 CC1=CC=CC=C1C(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(C=C4)OC 1 3.636 3 3 0.408241907187475 3226033 CCCCCC(=O)N1CCCC(C1)C2=NC(=NO2)C3=CC=C(C=C3)OC 1 3.521 3 3 -2.43948339547436 3226027 COC1=CC=CC(=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F 1 3.355 3 3 4.77918968790083 3226006 COC1=CC=CC(=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC(=CC=C4)F 1 3.355 3 3 4.65616247379878 3225987 CCCCCCC(=O)N1CCCC(C1)C2=NC(=NO2)C3=CC(=CC=C3)OC 1 3.977 3 3 -0.556400356570247 3225986 CC(C)(C)CC(=O)N1CCCC(C1)C2=NC(=NO2)C3=CC(=CC=C3)OC 1 3.066 3 3 -0.301697940058431 3225971 COC1=CC=CC(=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=C(C=C(C=C4)F)F 1 3.56 3 3 6.47425260174887 3225960 CC(C)C1=CC=C(C=C1)C2=NOC(=N2)C3CCCN(C3)S(=O)(=O)C 1 2.486 3 3 -2.54720347761598 3225916 CC1=CC=C(C=C1)NC(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(C=C4)F 1 3.766 4 2 2.73687682672634 3225915 C1CC(CN(C1)C(=O)NC2=CC=CC=C2)C3=NC(=NO3)C4=CC=C(C=C4)F 1 3.28 4 2 2.58022268835299 3225914 COC1=CC=C(C=C1)NC(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(C=C4)F 1 3.263 4 3 0 2.3239106175822 3225896 CC1=CC=CC(=C1)C(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(C=C4)F 1 3.858 3 2 3.75759535133739 3225892 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=NC(=NO3)C4=CC=C(C=C4)F 1 3.739 3 3 -1.46401145465458 3225877 C1CC(CN(C1)C(=O)NC2=C(C=C(C=C2)F)F)C3=NC(=NO3)C4=CC=C(C=C4)F 1 3.691 4 2 2.10607731613348 3225864 C1CC(CN(C1)C(=O)C2=C(C=C(C=C2)F)F)C3=NC(=NO3)C4=CC=C(C=C4)F 1 3.782 3 2 4.6320879328073 3225863 C1CC(CN(C1)C(=O)C2=C(C=CC=C2F)F)C3=NC(=NO3)C4=CC=C(C=C4)F 1 3.782 3 2 0.776725394669507 3225859 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C3=NOC(=N3)C4CCN(CC4)C(=O)C5=CC=CC=C5 1 2.301 4 5 0 -10.0955096247106 3225852 C1CCC(CC1)CC(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5 1 3.316 4 4 0 -18.4314644083822 3225848 C1CN(CCC1C2=NC(=NO2)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] 1 1.478 5 5 0 -10.1419642787317 3225847 CN(C)C1=CC=C(C=C1)C2=NOC(=N2)C3CCN(CC3)C(=S)NCCOC 1 3.012 5 2 0 -11.5689903722495 3225845 COCCNC(=S)N1CCC(CC1)C2=NC(=NO2)C3=CC=C(C=C3)F 1 3.055 4 2 -8.19582696817157 3225842 C1CC(CN(C1)C(=O)C2=CC=CS2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5 1 2.311 6 2 0 -10.5915762370708 3225817 C1CC(CN(C1)C(=O)C2=CC=CO2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5 1 1.753 6 3 0 -5.17562905447452 3225799 C1CC(CN(C1)C(=O)C2=CC=CO2)C3=NC(=O)C4=NNN(C4=N3)CC5=C(C=C(C=C5)Cl)Cl 1 3.082 6 3 0 -2.92077027770451 3225791 C1CC(CN(C1)C(=O)C2=CC=CO2)C3=NC(=O)C4=NNN(C4=N3)CC5=C(C=CC=C5Cl)Cl 1 3.082 6 3 0 -7.57571338988371 3225780 C1CC(CN(C1)C(=O)NC2=CC=C(C=C2)F)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5Cl 1 3.136 7 2 0 -5.33506875178191 3225779 C1CC(CN(C1)C(=O)C2=CC=CS2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5Cl 1 2.975 6 2 0 -10.9816385604623 3225757 CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC(C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5Cl 1 2.465 6 4 0 -16.0504828355951 3225755 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2F)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5Cl 1 2.931 6 3 0 -11.7057702448085 3225750 C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5Cl 1 2.355 6 5 0 -15.3852413338755 3225746 C1CC(CN(C1)C(=O)C2=CC=CS2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=C(C=C5)F 1 2.517 6 2 0 -8.96749008030119 3225734 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=C(C=C5)F 1 2.472 6 3 0 -10.9793974377962 3225732 C1CC(CN(C1)C(=O)C2=CC=CO2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=C(C=C5)F 1 1.958 6 3 0 -3.55154289770489 3225715 C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=C(C=C5)F 1 1.896 6 5 0 -13.3710928537144 3225712 CC(C)(C)C1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)C(=O)C5=CC=CS5 1 3.712 6 2 0 -7.10123295665514 3225702 CC(C)(C)C1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)C(=O)C5=CC=CO5 1 3.153 6 3 0 -1.68528577405884 3225668 CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)S(=O)(=O)C5=CC=C(C=C5)F 1 2.752 6 3 0 -10.1530784955786 3225666 CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5 1 2.547 6 3 0 -11.76096516028 3225664 CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)C(=O)C5=CC=CO5 1 2.239 6 3 0 -4.26341992317014 3225654 CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)C(=O)NC5=C(C=C(C=C5)F)F 1 3.163 7 2 0 -4.30635540833685 3225653 CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5C(=O)OC 1 2.402 6 5 0 -14.7679565536484 3225652 CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)S(=O)(=O)C5=CC=CC(=C5)C(=O)C 1 2.287 6 4 0 -14.7482113808993 3225650 CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5F 1 2.752 6 3 0 -10.332480019625 3225638 CC1=CC(=C(C=C1)C)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)C(=O)C5=CC=CS5 1 3.283 6 2 0 -9.90093681797471 3225626 CC1=CC(=C(C=C1)C)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)C(=O)C5=CC=CO5 1 2.725 6 3 0 -4.48498963537841 3225618 C1CC(CN(C1)C(=O)C2=CC=CS2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl 1 2.975 6 2 0 -7.77914013805473 3225609 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl 1 2.725 6 3 0 -9.86073819256831 3225608 C1CC(CN(C1)C(=O)C2=CC=CO2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl 1 2.417 6 3 0 -2.36319295545844 3225603 CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC(C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl 1 2.465 6 4 0 -13.3141952250638 3225600 C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl 1 2.732 6 3 0 -10.9243591819703 3225585 C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C(F)(F)F 1 2.868 6 3 0 -10.2190712196927 3225583 C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-] 1 1.82 7 5 0 -15.9092358943822 3225582 C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-] 1 1.82 7 5 0 -16.0154917408843 3225577 C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC(=O)C5=NNN(C5=N4)CC6=CC=CC=C6 1 1.327 7 5 0 -19.6789963517606 3225522 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5Cl 1 1.711 7 4 0 -19.2840901648006 3225486 C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC(=O)C5=NNN(C5=N4)CC6=CC=C(C=C6)F 1 1.532 7 5 0 -18.1523044215158 3225444 CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)S(=O)(=O)NC6CC6 1 1.813 7 5 0 -18.864181446981 3225429 CC1=CC(=C(C=C1)C)CN2C3=NC(=NC(=O)C3=NN2)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)S(=O)(=O)NC6CC6 1 2.299 7 5 0 -19.0857511591893 3225428 CC1=CC(=C(C=C1)C)CN2C3=NC(=NC(=O)C3=NN2)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)S(=O)(=O)N(C)C 1 2.015 7 5 0 -16.0539632499837 3225382 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC4=C(N3CC5=CC=C(C=C5)F)C=CS4 1 4.933 2 3 -9.27279082646174 3225355 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC4=C(N3CC5=CC=C(C=C5)F)C=CS4 1 5.884 2 1 -8.57326238078936 3225351 CC1CC2=CC=CC=C2N1C(=O)C3=CC4=C(N3CC5=CC=C(C=C5)F)C=CS4 1 5.806 2 1 -7.88307391927113 3225350 C1CN(C2=CC=CC=C21)C(=O)C3=CC4=C(N3CC5=CC=C(C=C5)F)C=CS4 1 5.428 2 1 -10.1026327076976 3225333 CN1C2=C(C=C1C(=O)N(CC3CCCO3)CC4=C(C=C(C=C4)OC)OC)SC=C2 1 3.897 2 4 -9.63748779973682 3225319 CN1C2=C(C=C1C(=O)NCC#C)SC=C2 1 2.974 2 1 -4.78267026866208 3225306 CN1C2=C(C=C1C(=O)NCCOC)SC=C2 1 1.651 2 2 0 -7.23110029933151 3225304 CN1C2=C(C=C1C(=O)NCCC3=CNC4=CC=CC=C43)SC=C2 1 3.98 3 1 -6.8840246620111 3225254 CN1C2=C(C=C1C(=O)NCC=C)SC=C2 1 2.399 2 1 -8.05325536366056 3225246 CN1C2=C(C=C1C(=O)NC3=CC=C(C=C3)C(=O)OC)SC=C2 1 3.214 2 3 -5.21843893145169 3225231 CCC1=CC=CC=C1NC(=O)C2=CC3=C(N2C)C=CS3 1 4.301 2 1 -4.16325404482603 3225225 CN1C2=C(C=C1C(=O)NC3=CC=CC=C3)SC=C2 1 3.358 2 1 -2.28991630445297 3225224 CN1C2=C(C=C1C(=O)N3CCN(CC3)C4=CC=CC=C4OC)SC=C2 1 3.601 3 2 -1.45813624882497 3225182 C1=CC=C(C=C1)CN2C3=C(C=C2C(=O)NCCC4=CNC5=CC=CC=C54)SC=C3 1 5.563 3 1 -11.1769496265985 3225147 C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(N4CC6=CC=CC=C6)C=CS5 1 5.206 4 1 -2.65550611660587 3225118 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC4=C(N3CC5=CC=CC=C5)C=CS4 1 4.728 2 3 -10.7994827567066 3225098 C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(N2CC4=CC=CC=C4)C=CS3 1 5.27 2 1 -8.79096618316765 3225093 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC4=C(N3CC5=CC=CC=C5)C=CS4 1 5.679 2 1 -10.2683673080466 3225091 CC1CC2=CC=CC=C2N1C(=O)C3=CC4=C(N3CC5=CC=CC=C5)C=CS4 1 5.6 2 1 -9.57817884652838 3225082 CC1=CC2=C(C=C1)OC(C(=O)N2CC(=O)N(CC3=CC=CC=N3)CC4=CC=CO4)C(C)C 1 3.318 3 4 0 -11.2155617145164 3225078 CC1=CC2=C(C=C1)OC(C(=O)N2CC(=O)NCCCN3CCOCC3)C(C)C 1 1.587 3 4 0 -11.732098910199 3225073 CC1=CC2=C(C=C1)OC(C(=O)N2CC(=O)NCC3CCCO3)C(C)C 1 2.057 2 4 -13.7217422011169 3225070 CC1=CC2=C(C=C1)OC(C(=O)N2CC(=O)NCC3=CC=CO3)C(C)C 1 2.464 2 4 -11.2923058430396 3225067 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)N(CC3=CC=C(O3)C)C4CC(NC(C4)(C)C)(C)C 1 3.236 3 4 0 -10.8515609973575 3225065 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)N(CC3=CC=NC=C3)CC4=CC=CO4 1 2.783 3 4 0 -12.7969771944047 3225064 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)N(CC3=CC=C(O3)C)C4CCCC4 1 3.898 2 4 -7.31430983646246 3225056 CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)N(CC3=CC(=CC=C3)F)CC4=CN=CC=C4 1 3.807 3 3 -8.41142550087253 3225036 CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)N(CC3CCCO3)CC4=CC(=C(C=C4)OC)OC 1 2.971 2 6 0 -21.0425557670069 3225035 CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NCC3CCCO3 1 1.214 2 4 0 -15.1032908584368 3225034 CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NCC3=CC=CS3 1 2.179 2 3 -13.3686196679941 3225033 CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.691 3 3 -4.20067013918603 3225029 CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NC3=CC=CC=C3F 1 2.638 2 3 -7.29603603872382 3225026 CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NC3=CC=C(C=C3)OC 1 2.416 2 4 -6.45415110085429 3225020 CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)N3CCCCC3 1 1.979 2 3 0 -8.20934447246339 3225019 CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)N3CCCC3 1 1.523 2 3 0 -7.85487595829531 3225018 CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NC3CCCC3 1 2.258 2 3 -8.50659871541447 3225010 CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)NC3=CC=CC=C3OC 1 1.932 2 4 0 -10.165753863108 3225008 CC1CCCN(C1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)C 1 1.814 2 3 0 -9.58561824818434 3225007 CC1CCCCN1C(=O)CN2C(=O)COC3=C2C=C(C=C3)C 1 1.872 2 3 0 -9.52061501946879 3225002 CC(C)C1C(=O)N(C2=CC=CC=C2O1)CC(=O)N(CC3=CC=CC=N3)C4CC4 1 2.556 3 3 -5.21406451136591 3225001 CC(C)C1C(=O)N(C2=CC=CC=C2O1)CC(=O)N(CC3=CC=NC=C3)CC4=CC=CO4 1 2.617 3 4 0 -11.0962596208018 3224996 CCOC(=O)C1CCN(CC1)C(=O)CN2C3=CC=CC=C3OC(C2=O)C(C)C 1 2.095 2 5 0 -10.2506062501728 3224995 CC(C)C1C(=O)N(C2=CC=CC=C2O1)CC(=O)N(C)C3CCCCC3 1 3.277 2 3 -7.56896951376469 3224993 CC(C)C1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCOCC3 1 1.106 2 4 0 -8.64396144520764 3224967 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=CC(=C(C=C3)OC)OC 1 1.913 2 5 0 -11.6191728210317 3224966 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=CC=CC(=N3)C 1 1.617 3 3 0 -5.9744152157649 3224963 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3CC3 1 0.859 2 3 0 -9.26807407587022 3224961 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=CC=C(C=C3)F 1 2.151 2 3 -5.57717704653349 3224958 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=CC=CC=C3F 1 2.151 2 3 -7.71231821602482 3224956 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.721 2 5 0 -12.5196801449926 3224951 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=C(C=CC=C3C)C 1 2.918 2 3 -8.60597537980421 3224950 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCC3=CC=CC=C3 1 1.953 2 3 0 -11.7514649078976 3224948 CC1CCCN(C1)C(=O)CN2C3=CC=CC=C3OC(C2=O)C 1 1.812 2 3 0 -8.60823247984237 3224947 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCCCC3 1 1.492 2 3 0 -8.45721365275199 3224946 CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3CCCC3 1 1.771 2 3 0 -8.75446789570307 3224942 COC1=C(C=C(C=C1)CN(CC2CCCO2)C(=O)CN3C(=O)COC4=CC=CC=C43)OC 1 2.001 2 6 0 -21.7434412669164 3224940 COC1=CC(=CC(=C1)NC(=O)CN2C(=O)COC3=CC=CC=C32)OC 1 1.429 2 5 0 -10.1684277014294 3224939 CC1CC2=CC=CC=C2N1C(=O)CN3C(=O)COC4=CC=CC=C43 1 2.12 2 3 -10.2051737646265 3224932 C#CC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCCC3=O 1 3.33 2 2 -14.6952439308324 3224931 CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C#C)C(=O)N 1 4.075 3 2 -4.36388644953063 3224911 C1CCC(C1)N(CC2=CC=CS2)C(=O)C3=C(C=CC=C3F)F 1 4.38 1 1 -5.22952869505561 3224885 CC1=CC=CN2C1=NC(=O)CC2(C)C(=O)N(CC3=CC=CC=C3)CC(=O)NC4CCCC4 1 2.065 4 3 0 -18.9907740366719 3224884 CC1=CC=CN2C1=NC(=O)CC2(C)C(=O)N(CC(=O)NC3CCCC3)C4=CC(=CC(=C4)C)C 1 3.03 4 3 0 -17.9327591649744 3224883 CC1=CC=CC=C1N(CC(=O)NC2CCCC2)C(=O)C3(CC(=O)N=C4N3C=CC=C4C)C 1 2.544 4 3 0 -20.9521948334411 3224882 CC1=CC2=NC(=O)CC(N2C=C1)(C)C(=O)N(CC(=O)NC(C)C)C3CCCC3 1 1.208 4 3 0 -20.5471211954318 3224878 CC1=CC2=NC(=O)CC(N2C=C1)(C)C(=O)N(CC3=CC=CS3)CC(=O)NC(C)(C)C 1 1.334 4 3 0 -19.864439938013 3224877 CC1=CC2=NC(=O)CC(N2C=C1)(C)C(=O)N(CC3=CC=CC=C3)CC(=O)NC(C)(C)C 1 1.594 4 3 0 -20.4569508382421 3224876 CC1=CC2=NC(=O)CC(N2C=C1)(C)C(=O)N(CC(=O)NC3CCCC3)C4=CC=CC=C4F 1 2.264 4 3 0 -19.0378322019385 3224870 CC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC3=CC=CC=C3)CC(=O)NC4CCCC4)C=C1 1 2.065 4 3 0 -20.0546241133057 3224869 CC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC(=O)NC3CCCC3)C4=CC=CC=C4OC)C=C1 1 2.042 4 4 0 -21.9026025742944 3224860 CC1=CC=CC2=NC(=O)CC(N12)(C)C(=O)N(CC(=O)NC3CCCC3)C4=CC=C(C=C4)F 1 2.331 4 3 0 -15.9447682026186 3224857 CC1=CC=CC=C1N(CC(=O)NC2CCCC2)C(=O)C3(CC(=O)N=C4N3C(=CC=C4)C)C 1 2.612 4 3 0 -20.4280773215916 3224834 COC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2CC(=O)C4=CC=CC=C4 1 5.13 2 3 -8.15988843016204 3224826 CC(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)F 1 3.882 3 2 -16.8682576339467 3224809 CN(C)C(=O)CSC1=NC2=CC=CC=C2N1CC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.795 5 2 0 -12.7191494236864 3224807 CC(C)N(C(C)C)C(=O)CN1C2=CC=CC=C2N=C1SCC(=O)C3=CC(=CC=C3)OC 1 4.592 3 3 -11.2634247476822 3224806 CC(C)NC(=O)CSC1=NC2=CC=CC=C2N1CC(=O)N(C(C)C)C(C)C 1 3.139 4 2 -22.2321884003359 3224805 CC(C)N(C(C)C)C(=O)CN1C2=CC=CC=C2N=C1SCC(=O)NC3CC3 1 2.902 4 2 -19.1317228276488 3224804 CC(C)N(C(C)C)C(=O)CN1C2=CC=CC=C2N=C1SCC(=O)NC3=NC=CS3 1 2.986 5 2 0 -17.3585920690726 3224761 C1CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCOCC4 1 1.315 4 3 0 -16.8697342810918 3224729 CC1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCC(=O)NC4=NOC(=C4)C 1 2.844 5 3 0 -28.6496873334916 3224707 C1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCC(=O)N4CCCCC4 1 3 4 2 -14.3365726497677 3224676 CCC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCCC4 1 3.94 4 2 -18.7113086912885 3224647 C1CCC(C1)NC(=O)CN2C3=CC=CC=C3N=C2SCC(=O)N4CCC5=CC=CC=C5C4 1 4.02 4 2 -22.0935348316165 3224640 C1CCC(C1)NC(=O)CN2C3=CC=CC=C3N=C2SCC(=O)N4CCC5=CC=CC=C54 1 4.013 4 2 -21.9562733261283 3224633 CC(C)(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)C3=C(C=CC(=C3)OC)OC 1 3.849 3 4 0 -18.2373002004151 3224631 CC(C)(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)OC 1 3.865 3 3 -15.7122029415681 3224630 CC(C)(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)NC3CC3 1 2.175 4 2 -22.6751015825067 3224629 CC(C)(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)NC3=NC=CS3 1 2.259 5 2 0 -20.9019708239305 3224621 CC(C)(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)N 1 1.479 4 2 0 -19.0262460332865 3224618 CC1=C(C=C2C(=C1)C3=C(CCCC3)C(=N2)SCC(=O)N(C)C)C 1 4.848 2 1 -9.16761810401718 3224603 CC1=CC2=NC(=C3CCCCC3=C2C=C1)SCC(=O)NC4=NC=CS4 1 4.73 3 1 -9.42613278612092 3224595 CC1=CSC(=N1)NC(=O)CSC2=NC3=CC=CC=C3C4=C2CCCC4 1 4.526 3 1 -11.1107515141128 3224567 C1CC1NC(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C=CC(=N3)C4=CC(=CC=C4)Cl 1 2.652 4 3 0 -7.8171507039994 3224565 C1=CC=C(C(=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC(=CC=C3)Cl)Br 1 3.702 3 2 -2.75316028756371 3224563 CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3Cl)Br 1 4.188 3 2 -5.8954890924598 3224562 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CN3C(=O)C=CC(=N3)C4=CC=CC=C4Cl 1 4.472 3 2 -0.797945809499119 3224561 CC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3Cl 1 2.694 3 3 -7.3807774810744 3224560 C1=CC=C(C(=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)Br)Cl 1 3.702 3 2 -4.34708038594312 3224556 COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)C(=O)NC4CC4)OC 1 1.954 4 5 0 -15.1894149267022 3224554 CC(C)C1=NN=C(S1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)OC)OC 1 2.121 5 4 0 -14.7495750025944 3224553 COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3CCC4=CC=CC=C34)OC 1 2.823 3 4 0 -11.7940673105162 3224550 CCC1=NN=C(S1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)OC)OC 1 1.658 5 4 0 -16.7288348267109 3224523 COCCNC(=O)CN1C(=O)C=CC(=N1)C2=CC=CC=C2F 1 0.787 3 3 0 -13.639083118867 3224522 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C=CC(=N3)C4=CC=CC=C4F 1 2.985 4 4 0 -20.282705011441 3224511 CCOC1=CC=CC(=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCCO4 1 2.408 3 5 0 -8.66046086803191 3224510 C1COC2=C(O1)C=CC(=C2)C3=NN(C(=O)C=C3)CC(=O)NC4=CC=C(C=C4)N5C=NN=N5 1 0.962 7 4 0 -19.3689030007108 3224507 CC(=O)NC1=CC2=C(C=C1NC(=O)CN3C(=O)C=CC(=N3)C4=CC5=C(C=C4)OCCO5)OCCO2 1 0.981 4 7 0 -12.0380569610005 3224505 C1COC2=C(O1)C=CC(=C2)C3=NN(C(=O)C=C3)CC(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=N5 1 2.138 5 5 0 -13.003610420391 3224491 COC1=CC=CC=C1NC(=O)CN2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCCO4 1 2.059 3 5 0 -10.8969742272367 3224482 COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.059 3 5 0 -9.01338472680917 3224479 COC1=CC=CC(=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)C(=O)N4CCCC4 1 2.148 4 4 0 -8.02370737379153 3224474 COCCCNC(=O)CN1C(=O)C=CC(=N1)C2=CC(=CC=C2)OC 1 0.628 3 4 0 -11.2919181274837 3224472 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC(=CC=C3)OC 1 2.376 4 5 0 -10.9452844591205 3224467 COC1=CC=CC=C1C2=NN(C(=O)C=C2)CC(=O)NC3CCC4=CC=CC=C34 1 2.84 3 3 -10.7706828439963 3224455 COC1=CC=CC=C1C2=NN(C(=O)C=C2)CC(=O)NCC3=CC=CO3 1 1.462 3 4 0 -14.0860556224769 3224454 COC1=CC=CC=C1C2=NN(C(=O)C=C2)CC(=O)NCC3=CC=CS3 1 2.02 3 3 -14.7808207901115 3224446 CC1=CC=CC=C1C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)C(=O)N4CCCC4 1 2.651 4 3 0 -10.1456732074118 3224445 CC1=CC=CC=C1C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)N4C=NN=N4 1 1.663 7 2 0 -17.2573937288848 3224443 CC1=CC=CC=C1C2=NN(C(=O)C=C2)CC(=O)NCCOC 1 1.068 3 3 0 -12.9490446341597 3224442 CC1=CC=CC=C1C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N(C)C 1 1.893 4 4 0 -10.8247843401785 3224438 CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4 1 2.284 3 5 0 -10.1442786606928 3224437 CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.561 3 4 0 -8.60041851766503 3224436 C1CN(CCN1C2=CC=C(C=C2)NC(=O)CN3C(=O)C=CC(=N3)C4=CC=CC=C4)C(=O)C5=CC=CS5 1 3.286 5 3 0 -11.0991168975481 3224432 C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)N4C=NN=N4 1 1.176 7 2 0 -16.6767077361793 3224430 C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=N4 1 2.352 5 3 0 -10.4151695597296 3224429 C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=N4 1 2.352 5 3 0 -10.3399902486502 3224422 C1CC1NC(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)F 1 2.193 4 3 0 -10.1282964492366 3224420 CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)F 1 3.47 4 4 0 -6.9295038104785 3224419 COC1=C(C=CC(=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F)N4C=NN=N4 1 1.365 7 3 0 -18.3349155153255 3224413 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F 1 2.598 4 4 0 -11.3001708582549 3224401 CCC1=CC2=C(C=C1)N(C(=O)C2=O)CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=N4 1 2.517 4 4 0 -4.35639132695477 3224399 CC1=CC2=C(C=C1)N(C(=O)C2=O)CC(=O)NC3=CC=CC=C3NC(=O)C4=CC=CC=N4 1 2.061 4 4 0 -4.83273781568868 3224396 CC1=CC2=C(C=C1)N(C(=O)C2=O)CC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 1.848 3 4 0 0.726647038029172 3224392 CCOCCCNC1=NC(=NC2=C1N=NN2CC3=CC=CC=C3Cl)C(F)(F)F 1 3.508 6 1 0 -12.8298852103852 3224388 C=CCNC1=NC(=NC2=C1N=NN2CC3=CC=CC=C3Cl)C(F)(F)F 1 3.845 6 0 -12.3548791878969 3224381 CCCC1=NC2=C(C(=N1)NCCCOCC)N=NN2CC3=CC=CC=C3 1 2.879 6 1 0 -15.2441833357984 3224380 CCCC1=NC2=C(C(=N1)NCC3=CC4=C(C=C3)OCO4)N=NN2CC5=CC=CC=C5Cl 1 4.614 6 2 0 -11.7971091827752 3224377 CCCC1=NC(=O)C2=NNN(C2=N1)CC3=CC=CC=C3Cl 1 2.46 5 1 -2.75314783698138 3224376 CCC1=NC2=C(C(=N1)NCCC(C)C)N=NN2CC3=CC=CC=C3 1 3.723 6 0 -13.5444406853794 3224365 CC1=NC2=C(C(=N1)NCCC(C)C)N=NN2CC3=CC=CC=C3 1 3.056 6 0 -13.1451101263616 3224362 CC1=NC2=C(C(=N1)NCCC3=CC(=C(C=C3)OC)OC)N=NN2CC4=CC=CC=C4 1 3.347 6 2 0 -12.8489447187676 3224357 CC(C)CCNC1=NC=NC2=C1N=NN2CC3=CC=CC=C3 1 3.1 6 0 -11.4031263175714 3224355 CC(C)NC1=NC=NC2=C1N=NN2CC3=CC=CC=C3 1 2.246 6 0 -9.65114440074151 3224354 CCCCNC1=NC=NC2=C1N=NN2CC3=CC=CC=C3Cl 1 3.513 6 0 -8.27467504977105 3224349 C1CN(CCN1C2=CC=C(C=C2)F)C3=NC=NC4=C3N=NN4CC5=CC=CC=C5Cl 1 4.225 7 0 0 -1.25663192249645 3224343 C1CN(CCN1C2=NC=NC3=C2N=NN3CC4=CC=CC=C4Cl)C(=O)C5=CC=CO5 1 2.666 7 2 0 -8.20894080069864 3224293 CC1=CC=C(C=C1)NC(=O)NC2(CCCCC2)C(=O)NCC3=CC=CC=C3OC 1 3.987 3 3 -11.7051772951513 3224286 COC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NCC3CCCCC3 1 2.98 3 3 -11.6114414621844 3224283 C1CC(CN(C1)C2=NC3=CC=CC=C3S2)C(=O)NCCC4=CC=CC=C4F 1 3.923 3 1 -5.28054682126308 3224281 C1CC(CN(C1)C2=NC3=CC=CC=C3S2)C(=O)NCCC4=CC=CC=C4 1 3.717 3 1 -4.24877764184922 3224277 COC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4S3)OC 1 3.684 3 3 -7.6766306775704 3224266 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NNC(=O)C3=CC=NC=C3)C 1 0.177 6 2 0 -6.77501179954272 3224263 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NCC(C3=CC=CC=C3)C4=CC=CC=C4)C 1 3.751 4 1 -9.79362259341482 3224256 CCNC(=O)C1CCCN(C1)C2=NC(=CC(=N2)C)C 1 0.843 4 1 0 -6.62196717777089 3224249 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NC3=NN=C(S3)C(C)(C)C)C 1 2.352 6 1 0 -4.52329342237174 3224248 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NC3=NN=C(S3)C(C)C)C 1 1.935 6 1 0 -7.055148722151 3224247 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NCCC3=CC=C(C=C3)OC)C 1 2.383 4 2 -8.21846236741994 3224241 CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC(=CC(=N3)C)C 1 2.564 4 1 -7.73653947691082 3224238 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C 1 1.846 4 3 0 -9.38333472402378 3224237 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NCC3=CC=CC=C3F)C 1 2.283 4 1 -8.98522063195955 3224234 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NC3CC3)C 1 0.984 4 1 0 -5.91715747300369 3224233 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NCC3=CC=CC=C3)C 1 2.078 4 1 -8.36305778735662 3224231 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NC(C)C)C 1 1.221 4 1 0 -10.8061863204297 3224223 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NC3=CC(=CC=C3)Cl)C 1 2.735 4 1 2.31299888993495 3224221 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)F)C 1 2.277 4 1 0.415844562916397 3224217 CCOC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NC(=CC(=N3)C)C 1 2.403 4 2 -1.47522182340102 3224210 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)OC)C 1 2.055 4 2 -0.708998671692995 3224208 CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NC3=CC=CC=C3OC)C 1 2.055 4 2 -3.18982236666886 3224181 C1CN(CCC1C(=O)NCC2=CC=CC=C2Cl)C3=NC=CN=C3 1 1.538 4 1 0 -4.51045673350389 3224180 CC(C)C1=NN=C(S1)NC(=O)C2CCN(CC2)C3=NC=CN=C3 1 0.731 6 1 0 -2.6537231425944 3224160 CC(C)C(C(=O)NC1CCCCC1)OC(=O)CCCC(=O)NC2=NC=CS2 1 2.72 3 4 0 -21.1598678226697 3224157 CC1=CC=CC=C1N(CC(=O)NC2CCCC2)C(=O)C3(CC(=O)N=C4N3C=C(C=C4)Cl)C 1 2.467 4 3 0 -20.0962286569499 3224156 CC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC(=O)NC3CCCC3)C4=CC=CC=C4C)C=C1 1 2.544 4 3 0 -22.0160449100749 3224155 CC1=CC=CC=C1N(CC(=O)NC2CCCC2)C(=O)C3(CC(=O)N=C4N3C=CC=C4)C 1 2.098 4 3 0 -21.2661670638896 3224121 CCOC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC#N)(C)C 1 1.556 2 4 0 -8.69215062505671 3224118 CC1=CC=CC2=NC(=O)CC(N12)(C)C(=O)N(CC3=CC=C(C=C3)Cl)CC(=O)NC4CCCC4 1 2.797 4 3 0 -15.829842929456 3224117 CC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC3=CC=C(C=C3)Cl)CC(=O)NC4CCCC4)C=C1 1 2.729 4 3 0 -17.4178105179393 3224116 CC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC(=O)NC3CCCC3)C4=CC(=CC(=C4)C)C)C=C1 1 3.03 4 3 0 -18.9966092416081 3224115 CC1=CC2=NC(=O)CC(N2C=C1)(C)C(=O)N(CC3=CC=C(C=C3)Cl)CC(=O)NC4CCCC4 1 2.729 4 3 0 -15.6405608038105 3224114 CC1=CC2=NC(=O)CC(N2C=C1)(C)C(=O)N(CC3=CC=CC=C3)CC(=O)NC4CCCC4 1 2.065 4 3 0 -18.2773743991769 3224113 CC1=CC2=NC(=O)CC(N2C=C1)(C)C(=O)N(CC(=O)NC3CCCC3)C4=CC(=CC(=C4)C)C 1 3.03 4 3 0 -17.2193595274794 3224112 CC1=CC2=NC(=O)CC(N2C=C1)(C)C(=O)N(CC(=O)NC3CCCC3)C4=CC=CC=C4C 1 2.544 4 3 0 -20.2387951959461 3224111 CC1(CC(=O)N=C2N1C=CC=C2)C(=O)N(CC3=CC=C(C=C3)Cl)CC(=O)NC4CCCC4 1 2.283 4 3 0 -16.8562292660878 3224110 CC1(CC(=O)N=C2N1C=CC=C2)C(=O)N(CC3=CC=CC=C3)CC(=O)NC4CCCC4 1 1.619 4 3 0 -19.4930428614542 3224109 CC1=CC(=CC(=C1)N(CC(=O)NC2CCCC2)C(=O)C3(CC(=O)N=C4N3C=CC=C4)C)C 1 2.584 4 3 0 -18.2467313954229 3224085 CC1=CC=CC=C1C(=O)OCCNC2=NC3=CC(=CC(=C3C=C2C#N)C)C 1 4.733 3 2 -5.48667738240689 3224084 CC(C)(C)NC(=O)C(C1=CC=NC=C1)N(C2=CC=CC=C2)C(=O)C3CC(=O)SC3 1 2.074 3 3 -13.5809071257633 3224082 CC(C)(C)NC(=O)C(C1=CC=CC=C1)N(C2=CC=CC=C2)C(=O)C3CC(=O)SC3 1 3.225 2 3 -14.8104415667499 3224074 C1=CC(=CN=C1)C2=NN=C(O2)SCCCl 1 1.727 3 1 0 -7.56253693569187 3224061 CC1=CC2=CC3=C(N=C2C=C1C)SC(=NCCOC)N(C3)CC4=CC=CS4 1 5.262 3 1 -5.00205899973266 3224048 CC1=CC2=C(C=C1C)N=C(N2)CCN(C3CCCC3)C(=S)NCC4CCCO4 1 5.467 4 1 -12.1857214944454 3224046 CC1=CC2=C(C=C1C)N=C(N2)CCN(C3CCCC3)C(=S)NCC(C)C 1 6.3 4 0 -8.3851987367164 3224008 C1CCC(CC1)NC(=S)N(CCC2=NC3=CC=CC=C3N2)C4CCCC4 1 5.994 4 0 -8.65935068724728 3223983 CC1=CC2=C(C=C1)N=C(N2)C3CCCN(C3)C(=S)NC4=C(C=C(C=C4)OC)OC 1 5.549 4 2 -9.67774145259695 3223980 CC1=CC2=C(C=C1)N=C(N2)C3CCCN(C3)C(=S)NC4=CC=CC(=C4C)C 1 6.554 4 0 -4.15126256662201 3223978 CC1=CC2=C(C=C1)N=C(N2)C3CCCN(C3)C(=S)NC4=CC=CC=C4C 1 6.068 4 0 -7.72221461452035 3223973 CC1=CC2=C(C=C1)N=C(N2)C3CCCN(C3)C(=S)NC4=CC=C(C=C4)OC 1 5.565 4 1 -6.94269700509732 3223971 CC1=CC2=C(C=C1)N=C(N2)C3CCCN(C3)C(=S)NC4=CC=CC=C4OC 1 5.565 4 1 -8.50093999174954 3223965 CC1=CC(=C(C=C1)NC(=S)N2CCCC(C2)C3=NC4=C(N3)C=C(C=C4)C)C 1 6.554 4 0 -9.01565852863638 3223962 CCOCCCNC(=S)N1CCCC(C1)C2=NC3=C(N2)C=C(C=C3)C 1 4.007 4 1 -12.6323841130811 3223959 CCNC(=S)N1CCCC(C1)C2=NC3=C(N2)C=C(C=C3)C 1 4.076 4 0 -7.26416000770667 3223951 CCCNC(=S)N1CCCC(C1)C2=NC3=CC=CC=C3N2 1 4.113 4 0 -10.3556271491255 3223944 CC1=CC=CC=C1NC(=S)N2CCCC(C2)C3=NC4=CC=CC=C4N3 1 5.582 4 0 -8.98840577000802 3223938 CC1=CC=C(C=C1)NC(=S)N2CCCC(C2)C3=NC4=CC=CC=C4N3 1 5.582 4 0 -7.81580554876225 3223937 CC1=CC(=CC=C1)NC(=S)N2CCCC(C2)C3=NC4=CC=CC=C4N3 1 5.582 4 0 -6.0255542219579 3223931 CC1=CC2=C(C=C1C)N=C(N2)C3CCCN(C3)C(=O)NCC4=CC=CC=C4 1 4.179 4 1 -5.90197536873015 3223905 CC1=CC=CC=C1NC(=S)N2CCCC(C2)C3=NC4=C(N3)C=C(C(=C4)C)C 1 6.554 4 0 -7.85096398387557 3223889 CC1=CC2=C(C=C1C)N=C(N2)C3CCCN(C3)C(=S)NC4=CC=CC=C4 1 6.068 4 0 -6.66789593811258 3223887 CC1=CC2=C(C=C1C)N=C(N2)C3CCCN(C3)C(=S)NCCCOC 1 4.145 4 1 -11.1814170951555 3223885 C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC(=CS3)C4=CC=C(C=C4)Cl 1 3.629 3 2 -12.4983637116154 3223832 COC1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5 1 3.655 4 2 1.95673567374937 3223830 C1CN(CCN1C2=NC(=CS2)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5 1 3.672 4 1 -0.384508851830677 3223758 C1CN(CCN1C2=NC(=CS2)C3=CC=C(C=C3)Cl)C(=S)NCC4=CC=CO4 1 4.576 4 1 -5.37844138008931 3223747 CCC(=O)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 2.864 3 1 -0.543141839240236 3223746 C1CN(CCN1C2=NC(=CS2)C3=CC=C(C=C3)Cl)C(=S)NCCCN4CCOCC4 1 3.7 5 1 -6.52110305176002 3223745 C1CC(OC1)CNC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)Cl 1 4.17 4 1 -8.50419918448117 3223723 COCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.68 4 1 -7.05683744531946 3223722 CC(C)CNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 5.003 4 0 -4.66211488928318 3223721 CNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.811 4 0 -2.51900849088648 3223720 CCOC(=O)C(=O)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 2.547 3 3 0.619579313485553 3223719 CC(C)C(=O)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.327 3 1 -0.630225781686099 3223644 CCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C 1 4.505 4 0 -7.45752853372498 3223681 COC1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)CC(=O)NNC(=O)C4=CC=C(C=C4)Cl 1 2.814 5 3 0 0.555121871996802 3223680 COC1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)CC(=O)NNC(=O)C4=CC=C(C=C4)Br 1 2.898 5 3 0 -0.901537873104637 3223675 CCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC(=CC=C3)OC 1 4.003 4 1 -5.59080042446013 3223671 COC1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4Cl 1 5.649 4 1 -1.58720322743659 3223670 CC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC(=CC=C4)OC 1 5.471 4 1 -4.15256027485502 3223669 COC1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)C(=S)NC4=CC(=CC=C4)Cl 1 5.649 4 1 -0.865714605792493 3223666 CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC(=CC=C4)OC 1 5.317 4 2 -5.84179004666296 3223663 COC1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4OC 1 4.968 4 2 -4.95080939750858 3223662 COC1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)Cl 1 5.649 4 1 -1.22898013351006 3223658 COCCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC(=CC=C3)OC 1 3.062 4 2 -7.47694735358564 3223657 COCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC(=CC=C3)OC 1 2.999 4 2 -6.84333517773199 3223655 CC(C)C(=O)NNC(=O)CN1CCN(CC1)C2=NC(=CS2)C3=CC(=CC=C3)OC 1 1.615 5 3 0 -3.52116109835198 3223640 COC1=CC=C(C=C1)C(=O)NNC(=O)CN2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4 1 2.15 5 3 0 -4.0210875533142 3223638 C1CN(CCN1C2=NC(=CS2)C3=CC=CC=C3)C(=S)NCCCN4CCOCC4 1 3.036 5 1 -8.81761815866204 3223637 C1CC(OC1)CNC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4 1 3.506 4 1 -10.8007142913832 3223636 CCN(CC)CCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=CC=C3 1 4.045 5 0 -8.05125919563914 3223635 CN(C)CCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=CC=C3 1 3.348 5 0 -6.48966595487235 3223634 CCOCCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=CC=C3 1 3.427 4 1 -11.4948766668049 3223633 COCCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=CC=C3 1 3.078 4 1 -9.98696472807513 3223632 COCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=CC=C3 1 3.016 4 1 -9.35335255222148 3223631 C1CN(CCN1C2=NC(=CS2)C3=CC=CC=C3)C(=O)CCCl 1 2.314 3 1 -2.0372240617022 3223626 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3CCN(CC3)C4=NC(=CS4)C5=CC=C(C=C5)F 1 3.357 5 2 0 1.84460084002799 3223620 CCN(CC)CCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)F 1 4.251 5 0 -6.86486575385869 3223618 CCOCCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)F 1 3.633 4 1 -10.3084832250244 3223617 COCCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)F 1 3.284 4 1 -8.80057128629468 3223616 COCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)F 1 3.221 4 1 -8.16695911044103 3223615 CCCCC(=O)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)F 1 3.318 3 1 -2.47912687407497 3223610 CCCNC(=O)N1CCC(CC1)C(=O)C2=CC=C(C=C2)Cl 1 2.988 2 2 -6.52659374502484 3223609 CCCNC(=O)N1CCC(CC1)C(=O)C2=CC=C(C=C2)F 1 2.529 2 2 -7.63671541014641 3223608 CCCNC(=O)N1CCC(CC1)C(=O)C2=CC(=CC=C2)F 1 2.529 2 2 -8.00605770031671 3223607 CC(C)OCCCNC(=S)N1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3 1 3.513 2 4 -18.9310171302987 3223606 CC(C)OCCCNC(=S)N1CCC(CC1)C(=O)C2=CC=C(C=C2)Cl 1 4.392 2 2 -12.8844802495842 3223604 CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=S)NCCCOC(C)C 1 4.214 2 2 -14.706478940171 3223601 C=CCNC(=S)N1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3 1 3.472 2 3 -17.3931601075213 3223600 COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=S)NCC=C 1 3.67 2 2 -13.5815881265377 3223599 C=CCNC(=S)N1CCC(CC1)C(=O)C2=CC=C(C=C2)Cl 1 4.351 2 1 -11.3466232268067 3223598 C=CCNC(=S)N1CCC(CC1)C(=O)C2=CC=C(C=C2)F 1 3.892 2 1 -12.4567448919283 3223592 CCCNC(=S)N1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3 1 3.728 2 3 -15.617889504075 3223591 CCCNC(=S)N1CCC(CC1)C(=O)C2=CC=C(C=C2)OC 1 3.926 2 2 -11.8063175230914 3223590 CCCNC(=S)N1CCC(CC1)C(=O)C2=CC=C(C=C2)Cl 1 4.606 2 1 -9.57135262336041 3223589 CCCNC(=S)N1CCC(CC1)C(=O)C2=CC=C(C=C2)F 1 4.148 2 1 -10.681474288482 3223588 COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC 1 4.925 2 4 -13.6622682098132 3223587 COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)C(=O)C3=CC=C(C=C3)F)OC 1 5.147 2 3 -12.7061978241132 3223582 COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=S)NCC3CCCO3 1 3.412 2 3 -14.7448726728642 3223580 C1CC(OC1)CNC(=S)N2CCC(CC2)C(=O)C3=CC=C(C=C3)F 1 3.634 2 2 -13.6200294382548 3223579 CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=S)NCC3CCCO3 1 3.915 2 2 -14.33190646372 3223577 CCOCCCNC(=S)N1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3 1 3.136 2 4 -19.1807212208397 3223575 CCOCCCNC(=S)N1CCC(CC1)C(=O)C2=CC=C(C=C2)C 1 3.836 2 2 -14.9561830307119 3223574 COCCCNC(=S)N1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3 1 2.787 2 4 -17.6728092821099 3223573 COCCCNC(=S)N1CCC(CC1)C(=O)C2=CC=C(C=C2)Cl 1 3.665 2 2 -11.6262724013954 3223570 COCCNC(=S)N1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3 1 2.724 2 4 -17.0391971062563 3223568 COCCNC(=S)N1CCC(CC1)C(=O)C2=CC=C(C=C2)F 1 3.144 2 2 -12.1027818906633 3223567 CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=S)NCCOC 1 3.425 2 2 -12.8146589161285 3223565 C1CCC(CC1)NC(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)F 1 3.515 2 2 -6.54764476176474 3223549 CCCNC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2 1 2.929 3 1 -8.63908055937053 3223547 CC1=CC2=C(C=C1C)N=C(N2)C3CCN(CC3)C(=S)NCCCOC(C)C 1 4.736 4 1 -14.7841777942302 3223536 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=C(N4)C=C(C=C5)Cl 1 3.091 4 4 0 -23.2904489747165 3223531 CC1CCCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4 1 4.078 3 3 -17.9317984720131 3223514 CCOC1=CC(=C(C=C1S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OCC)S(=O)(=O)N5CCCCC5 1 4.127 3 6 0 -12.4521810031095 3223494 CC1CC(CN(C1)S(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)OC)C 1 4.084 3 5 0 -20.125197350707 3223492 COC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)S(=O)(=O)NC5CCCC5 1 3.724 3 5 0 -18.7514412426662 3223481 CCCNC(=S)N1CCC(CC1)C2=NC3=C(N2)C=C(C(=C3)C)C 1 4.951 4 0 -11.4710501680064 3223461 CC1CCCN(C1)C(=O)CN2CCC(CC2)C3=NC4=C(N3)C=C(C=C4)Cl 1 3.399 4 1 -4.73497989901498 3223460 CC1CCCCN1C(=O)CN2CCC(CC2)C3=NC4=C(N3)C=C(C=C4)Cl 1 3.457 4 1 -4.66997667029943 3223408 CC1=NC(=NC=C1)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)OC 1 1.779 4 2 0 -6.75292141419823 3223406 CC1=NC(=NC=C1)N2CCCC(C2)C(=O)NCC3=CC=CS3 1 1.535 4 1 0 -9.18820704723122 3223392 CC1=NC(=NC=C1)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)OC 1 1.772 4 2 0 0.49928900582994 3223390 CC1=CC(=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CC(=N3)C)C 1 2.761 4 1 -1.40045763290351 3223388 CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CC(=N3)C)C 1 2.761 4 1 0.476043806000161 3223387 CC1=C(C(=CC=C1)NC(=O)C2CCCN(C2)C3=NC=CC(=N3)C)C 1 2.761 4 1 2.3681427359816 3223386 CCC1=CC=CC=C1NC(=O)C2CCCN(C2)C3=NC=CC(=N3)C 1 2.731 4 1 -0.570121615114497 3223374 C1CCCC(CC1)NC(=O)C2CCCN(C2)C3=NC=CC=N3 1 2.244 4 1 -3.6110833245282 3223369 COC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)C3=NC=CC=N3 1 1.818 4 2 0 -6.01742569707869 3223356 C1CC(CN(C1)C2=NC=CC=N2)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 0.968 5 2 0 -3.04738026708651 3223355 CC1=CC=CC=C1C(=O)NNC(=O)C2CCCN(C2)C3=NC=CC=N3 1 1.249 5 2 0 -7.62881950163055 3223350 C1CC(CN(C1)C2=NC=CC=N2)C(=O)NNC(=O)C3=CC=NC=C3 1 -0.388 6 2 0 -4.45482173497945 3223336 CC1=CC=C(C=C1)C(=O)NNC(=O)C2CCCN(C2)C3=NC=CC=N3 1 1.249 5 2 0 -3.75925729255176 3223334 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CC=N3 1 0.626 5 2 0 -1.28491352896085 3223332 COC1=CC(=CC(=C1)NC(=O)C2CCCN(C2)C3=NC=CC=N3)OC 1 1.473 4 3 0 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CC1=CC(=NC(=N1)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4)C 1 1.722 4 3 0 -2.50002593560158 3223253 CC1=CC(=NC(=N1)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC)C 1 1.92 4 2 0 1.62871647830623 3223244 CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC(=CC(=N3)C)C 1 2.422 4 1 1.85338609311657 3223230 CC1=NC(=NC=C1)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)OC 1 1.965 4 2 0 -4.67245953989778 3223224 CC1=NC(=NC=C1)N2CCC(CC2)C(=O)NCC3=CC=CC=C3F 1 1.866 4 1 0 -5.43921780443739 3223222 CC1=NC(=NC=C1)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F 1 1.866 4 1 0 -3.29036302958961 3223217 CC1=NC(=NC=C1)N2CCC(CC2)C(=O)NNC(=O)C3=CC=CC=C3C 1 1.397 5 2 0 -6.37475571225866 3223212 CC1=NC(=NC=C1)N2CCC(CC2)C(=O)NNC(=O)C3=CC=NC=C3 1 -0.24 6 2 0 -3.10985557779855 3223211 CC1=NC(=NC=C1)N2CCC(CC2)C(=O)NNC(=O)C3=CC=CC=C3 1 0.91 5 2 0 -3.2099387028802 3223195 CC1=NC(=NC=C1)N2CCC(CC2)C(=O)NNC(=O)COC3=CC=CC4=CC=CC=C43 1 1.654 5 3 0 -4.39679415446375 3223194 CC1=CC=C(C=C1)OCC(=O)NNC(=O)C2CCN(CC2)C3=NC=CC(=N3)C 1 1.232 5 3 0 -4.65965762022369 3223193 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4 2 -17.7673903383889 3222308 CC1=CC(=CC=C1)CCN(CC(=O)NC(C)(C)C)C(=O)C2=CSN=N2 1 2.599 4 2 -19.0950291861964 3222306 CC1=CC(=CC=C1)CCN(CC(=O)NC2CCCCC2)C(=O)C3=CSN=N3 1 3.526 4 2 -17.2699212612994 3222305 CC1=CC(=CC=C1)CCN(CC(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CSN=N3 1 3.457 4 2 -17.5825977518732 3222303 CC1=CC=CC=C1CCN(C(C2=CC=CO2)C(=O)NC3CCCC3)C(=O)C4=CSN=N4 1 4.184 4 3 0 -17.1518535472774 3222301 CC1=CC=CC=C1CCN(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CSN=N4 1 3.638 5 2 0 -15.6489511006797 3222295 CC1=CC=CC=C1CCN(CC(=O)NC2CCCCC2)C(=O)C3=CSN=N3 1 3.526 4 2 -19.309767113892 3222294 CC1=CC=CC=C1CCN(CC(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CSN=N3 1 3.457 4 2 -19.4872710509693 3222283 C1=CC=C(C=C1)CCN(CC(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CSN=N3 1 2.97 4 2 -19.656514025895 3222281 COC1=CC=C(C=C1)CNC(=O)CN(CC2=CC=CC=C2OC)C(=O)C3=CSN=N3 1 2.411 4 4 0 -20.7697993563097 3222280 COC1=CC=CC=C1CN(CC(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CSN=N3 1 2.633 4 3 0 -19.8137289706097 3222276 COC1=CC=CC(=C1)CN(CC(=O)NC2CCCC2)C(=O)C3=CSN=N3 1 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3221132 CC1=CC2=C(C=C1)N3C(=NN=N3)C(=C2)CN(CCOC)C(=S)NC4=CC=C(C=C4)OC 1 4.098 6 2 0 -13.4623158187707 3221123 CC1=CC2=CC3=C(N=C2C=C1)SC(=NC4=CC=C(C=C4)OC)N(C3)CCOC 1 5.012 3 2 0.190685656068119 3221114 CC1=CC2=C(C=C1)N3C(=NN=N3)C(=C2)CN(C4CCCC4)C(=S)NCCOC 1 3.662 6 1 0 -15.4864922473185 3221108 CC1=CC=C(C=C1)CN(CC(=O)NCCC2=CC=CC=C2)C(=O)C3=CSN=N3 1 3.251 4 2 -20.8060043919615 3221105 COC1=C(C=C(C=C1)N(CC(=O)NCCC2=CC=CC=C2)C(=O)C3=CSN=N3)OC 1 2.725 4 4 0 -21.7121524745034 3221104 CCOC1=CC=C(C=C1)N(CC(=O)NCCC2=CC=CC=C2)C(=O)C3=CSN=N3 1 3.09 4 3 0 -18.9182775999121 3221044 COC1=CC=CC(=C1)NC(=O)NC2CCN(CC2)CC3=NN=NN3CC4=CC5=C(C=C4)OCO5 1 1.479 7 4 0 -22.1011733810546 3221049 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CC3CCC(C2)N3 1 1.243 3 3 0 -9.45388810931645 3221063 CC(C)N1C=C(C=N1)C(=O)N(CC2=CC=CC=C2)CC(=O)NC(C)(C)C 1 2.194 4 2 -18.6283800360689 3221041 COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCN(CC2)CC3=NN=NN3CC4=CC=C(C=C4)F 1 1.975 6 4 0 -23.1470034290825 3221040 COC1=CC(=CC(=C1)C(=O)NC2CCN(CC2)CC3=NN=NN3CC4=CC=C(C=C4)F)OC 1 1.992 6 3 0 -22.0371889496542 3221028 CC(C)(C)NC(=O)CN1CCC(CC1)NC(=O)C23CC4CC(C2)CC(C4)C3 1 2.031 3 2 -14.0148295080721 3221025 COC1=CC=CC(=C1)C(=O)NC2CCN(CC2)CC(=O)NCC3=CC=CC=C3F 1 1.981 3 3 0 -14.8163007751269 3221021 CC(C)(C)C(=O)NC1CCN(CC1)CC(=O)NCCOC 1 -4.1e-002 3 3 0 -21.0183122311148 3221020 COCCNC(=O)CN1CCC(CC1)NC(=O)C2=CC=CO2 1 -0.527 3 4 0 -15.2114185673656 3221015 CC1=CC=CC=C1C(=O)NC2CCN(CC2)CC(=O)NCC3=CC=C(C=C3)OC 1 2.261 3 3 -15.4945679524418 3221011 CCCNC(=S)N1CCC(CC1)NC(=O)NC2=CC=C(C=C2)C 1 3.289 4 1 -17.4554947321803 3221010 C1CN(CCC1NC(=O)NC23CC4CC(C2)CC(C4)C3)C(=S)NCC5=CC=CO5 1 3.262 4 2 -19.6548731317412 3221007 CCOC1=CC=CC=C1NC(=S)N2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4 1 4.684 4 2 -20.1365999391031 3221005 COC1=CC=CC=C1NC(=S)N2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4 1 4.335 4 2 -19.3433491902232 3220996 CC1=CC=C(C=C1)NC(=O)NC2CCN(CC2)C(=S)NCCCOC 1 2.348 4 2 -19.5104145102153 3220992 CC1=CC=C(C=C1)NC(=O)NC2CCN(CC2)C(=S)NCCOC 1 2.285 4 2 -18.8768023343616 3220983 CC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC(=O)NCC3=CC=CS3 1 2.018 3 2 -15.1693824819917 3220977 COC1=CC=CC(=C1)C(=O)NC2CCN(CC2)CC(=O)NC3=NC=CS3 1 0.766 4 3 0 -10.697281842006 3220976 CC(=O)NC1CCN(CC1)CC(=O)NC2=NC=CS2 1 -0.882 4 2 0 -10.4580373277972 3220954 C1CN(CCC1NC(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3F 1 1.899 4 2 0 -9.14667543817076 3220951 CC1=CC=CC(=C1)C(=O)NC2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4 1 2.039 3 4 0 -10.7605043009332 3220950 CC1=CC=CC=C1C(=O)NC2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4 1 2.039 3 4 0 -13.5589883744527 3220947 C1CN(CCC1NC(=O)C2=CC=CC=C2F)CC(=O)NC3=CC4=C(C=C3)OCO4 1 1.758 3 4 0 -12.3618362848119 3220943 COC1=C(C(=CC=C1)OC)NC(=O)CN2CCC(CC2)NC(=O)C3=CC(=CC=C3)F 1 1.957 3 4 0 -8.44956610874812 3220942 CC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)CC3=CC=CC=C3)C 1 2.792 3 2 -11.3825428215118 3220936 CC1CCCCN1C(=O)CN2CCC(CC2)NC(=O)C3=CC=CC=C3C 1 2.195 3 2 -13.7183553851284 3220935 CC1CCCCC1NC(=O)CN2CCC(CC2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.337 3 5 0 -16.9074075767543 3220934 CC1CCCCC1NC(=O)CN2CCC(CC2)NC(=O)C3=CC(=CC=C3)F 1 2.591 3 2 -12.1146656139031 3220929 COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCN(CC2)CC(=O)NC3CCCCC3 1 2.017 3 5 0 -12.5395488775119 3220928 CC1=CC=CC=C1C(=O)NC2CCN(CC2)CC(=O)NC3CCCCC3 1 2.553 3 2 -11.3318111314332 3220927 COC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC(=O)NC3CCCCC3 1 2.05 3 3 -8.98430623709418 3220913 C1CCC(CC1)C(=O)NC2CCN(CC2)CC(=O)NCC3=CC=CO3 1 1.436 3 3 0 -12.9005105622207 3220894 CC1=C(C=CC=C1Cl)NC(=O)CN2CCC(CC2)NC(=O)C3CCCCC3 1 3.398 3 2 -5.01190193843774 3220893 CC1=CC(=CC(=C1)NC(=O)NC2CCN(CC2)CC(=O)NC3=C(C(=CC=C3)Cl)C)C 1 3.816 4 2 -6.88787873380162 3220891 CC(C)C1=CC=C(C=C1)NC(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC4=CC=CC=C43 1 3.796 4 2 -8.25964521422598 3220890 C1CN(CCC1NC(=O)C2=CC=CO2)CC(=O)NC3=CC=CC4=CC=CC=C43 1 2.088 3 3 -8.58986612269231 3220888 COC1=CC(=CC(=C1)C(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC4=CC=CC=C43)OC 1 2.66 3 4 0 -11.6012559139295 3220884 C1CN(CCC1NC(=O)CC2=CC=CC=C2)CC(=O)NC3=CC=CC4=CC=CC=C43 1 2.728 3 2 -9.76496247665142 3220867 CC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)C3CCCCC3)Br 1 3.482 3 2 -7.45091071460261 3220865 C1CN(CCC1NC(=O)CC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3Br 1 2.568 3 2 -10.2688557544518 3220857 CC1=CC=CC(=C1)C(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl 1 2.935 3 2 -7.76082678654835 3220856 CC1=CC=CC=C1C(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl 1 2.935 3 2 -10.7701675347771 3220855 COC1=CC=CC(=C1)C(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl 1 2.433 3 3 -8.89947582021144 3220854 CC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl 1 2.935 3 2 -7.84128343428156 3220851 C1CN(CCC1NC(=O)C2=CC(=CC=C2)F)CC(=O)NC3=CC=C(C=C3)Br 1 2.739 3 2 -6.65207564693297 3220850 CC1=CC=CC=C1C(=O)NC2CCN(CC2)CC(=O)NC3=CC=C(C=C3)Br 1 3.019 3 2 -10.2370798637055 3220841 C1CN(CCC1NC(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 1.587 5 4 0 -9.70960501694459 3220839 C1CN(CCC1NC(=O)NC2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 1.587 5 4 0 -10.0910784968989 3220837 CC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.165 4 4 0 -9.8979674401528 3220836 CC(=O)NC1CCN(CC1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.5e-002 4 4 0 -10.544087168331 3220834 COCC(=O)NC1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 -0.265 4 6 0 -11.1743822790929 3220832 COC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)C3=CC=CO3)[N+](=O)[O-] 1 1.058 4 6 0 -10.0494841412421 3220831 COC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)C3CCCCC3)[N+](=O)[O-] 1 2.125 4 5 0 -8.8012009537522 3220828 COCC(=O)NC1CCN(CC1)CC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 -0.249 4 5 0 -11.5381961829059 3220826 C1CN(CCC1NC(=O)C2=CC=CO2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 1.074 4 5 0 -10.3419194226705 3220823 C1CC1C(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 0.773 4 4 0 -12.3909206143955 3220822 C1CN(CCC1NC(=O)NC2=CC=C(C=C2)F)CC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 1.793 5 4 0 -9.58328118539051 3220821 COC1=CC=CC(=C1)NC(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 1.571 5 5 0 -10.448813251837 3220817 CC1=CC=CC=C1C(=O)NC2CCN(CC2)CC(=O)NC3=CC=C(C=C3)N(C)C 1 2.433 4 2 -13.2637051878035 3220816 CN(C)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)C3CCCCC3 1 2.409 4 2 -8.92912733218397 3220812 COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)C3=CC=CO3 1 1.035 3 5 0 -10.6013009064333 3220807 CC(=O)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)C3CCCCC3 1 1.987 3 3 0 -9.98252348436799 3220803 CCOC1=CC=CC=C1NC(=O)CN2CCC(CC2)NC(=O)C3=CC=CC=C3C 1 2.603 3 3 -15.0957973026385 3220801 CCOC1=CC=CC=C1NC(=O)CN2CCC(CC2)NC(=O)NC3=CC=CC=C3 1 2.025 4 3 0 -12.2167897875924 3220800 CCOC1=CC=CC=C1NC(=O)CN2CCC(CC2)NC(=O)C3=CC=CC=C3 1 2.117 3 3 -13.1309737666647 3220795 COC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC(=O)NC3=CC=C(C=C3)OC 1 1.752 3 4 0 -9.08123285706939 3220792 COC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC(=O)NC3=CC(=CC=C3)OC 1 1.752 3 4 0 -8.40115078300513 3220786 C=CCNC(=O)CN1CCC(CC1)NC(=O)C2=CC=CO2 1 0.22 3 3 0 -14.2173437474633 3220774 CCOC1=CC=CC=C1C(=O)NC2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)OC)OC 1 2.084 3 5 0 -12.5298129287585 3220773 CC1=CC=CC=C1C(=O)NC2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)OC)OC 1 2.238 3 4 0 -13.263729234705 3220767 CC1=CC(=C(C(=C1)C)NC(=O)CN2CCC(CC2)NC(=O)C3CCCCC3)C 1 3.705 3 2 -7.56839041376304 3220766 CC1=CC(=CC(=C1)NC(=O)NC2CCN(CC2)CC(=O)NC3=C(C=C(C=C3C)C)C)C 1 4.124 4 2 -10.0605743497032 3220765 CC1=CC(=C(C(=C1)C)NC(=O)CN2CCC(CC2)NC(=O)NC3CCCCC3)C 1 3.433 4 2 -9.38775401151678 3220764 CC1=CC(=C(C(=C1)C)NC(=O)CN2CCC(CC2)NC(=O)C3=CC(=CC=C3)OC)C 1 3.227 3 3 -10.1676993125081 3220763 CC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC(=O)NC3=C(C=C(C=C3C)C)C 1 3.73 3 2 -9.53168185255251 3220759 CC1=C(C(=CC=C1)C)NC(=O)CN2CCC(CC2)NC(=O)C3=CC(=C(C=C3)OC)OC 1 2.724 3 4 0 -15.0324451365948 3220758 CC1=C(C(=CC=C1)C)NC(=O)CN2CCC(CC2)NC(=O)C3=CC=CC=C3C 1 3.243 3 2 -13.3165343756431 3220757 CC1=CC(=CC(=C1)NC(=O)CN2CCC(CC2)NC(=O)C3=CC(=CC=C3)F)C 1 2.963 3 2 -7.54601649547006 3220756 CC1=CC(=CC(=C1)NC(=O)CN2CCC(CC2)NC(=O)CC3=CC=CC=C3)C 1 2.792 3 2 -9.0089657233628 3220755 CC1=CC(=CC(=C1)NC(=O)CN2CCC(CC2)NC(=O)C3=CC=CC=C3F)C 1 2.963 3 2 -9.79403071838009 3220754 CC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)C3=CC(=CC=C3)F)C 1 2.963 3 2 -7.4051673112801 3220753 CC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)CC3=CC=CC=C3)C 1 2.792 3 2 -8.86811653917284 3220749 CC1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C 1 2.708 3 5 0 -10.7284633663454 3220746 CC1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)NC(=O)C3CCCCC3)C 1 3.219 3 2 -5.26158168166527 3220745 CC1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)NC(=O)C3=CC(=CC=C3)OC)C 1 2.741 3 3 -8.22025372738617 3220741 CC1=CC(=CC=C1)NC(=O)CN2CCC(CC2)NC(=O)C3=CC(=C(C=C3)OC)OC 1 2.238 3 4 0 -11.0651104062066 3220738 CCOC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC(=O)NCC3=CC=CC=C3 1 2.124 3 3 -14.3151349054463 3220736 C1CN(CCC1NC(=O)C2=CC=CC=C2Cl)CC(=O)NCC3=CC=CC=C3 1 2.456 3 2 -13.6749062531234 3220735 CC1=CC=CC=C1C(=O)NC2CCN(CC2)CC(=O)NCC3=CC=CC=C3 1 2.278 3 2 -16.0648296450897 3220732 COC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC(=O)NCC3=CC=CC=C3 1 1.775 3 3 0 -13.5489117537383 3220729 CC1=CC=CC=C1C(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3 1 2.271 3 2 -10.9274859445766 3220719 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CC3CCC(C2)N3CC4=NN=NN4CC5=CC=CO5 1 1.632 7 4 0 -25.6844060363079 3220717 C1CC2CC(CC1N2CC3=NN=NN3CC4=CC5=C(C=C4)OCO5)NC(=O)NC6=CC=CC=C6 1 2.014 7 3 0 -23.2442676766094 3220716 C1CCC(CC1)NC(=O)NC2CC3CCC(C2)N3CC4=NN=NN4CC5=CC6=C(C=C5)OCO6 1 2.295 7 3 0 -24.3481201757954 3220713 COCC(=O)NC1CC2CCC(C1)N2C(=S)NC3=CC=CC=C3C(=O)OC 1 2.323 3 4 0 -17.6374942539693 3220711 C1CCC(CC1)NC(=O)NC2CC3CCC(C2)N3C(=S)NCC4=CC=CO4 1 3.496 4 2 -14.3960687615676 3220710 COC1=CC(=C(C=C1)NC(=S)N2C3CCC2CC(C3)NC(=O)NC45CC6CC(C4)CC(C6)C5)OC 1 4.837 4 3 0 -15.8776135681958 3220706 CCOC1=CC=CC=C1NC(=S)N2C3CCC2CC(C3)NC(=O)NC45CC6CC(C4)CC(C6)C5 1 5.202 4 2 -15.63390076045 3220705 COC1=CC=CC=C1NC(=S)N2C3CCC2CC(C3)NC(=O)NC45CC6CC(C4)CC(C6)C5 1 4.853 4 2 -14.84065001157 3220699 COC1=CC=C(C=C1)S(=O)(=O)N2C3CCC2CC(C3)NC(=O)NC4CCCCC4 1 2.467 3 4 0 -11.982487965028 3220698 COCCNC(=S)N1C2CCC1CC(C2)NC(=O)NC34CC5CC(C3)CC(C5)C4 1 2.884 4 2 -17.5972156622302 3220695 CCOCCCNC(=S)N1C2CCC1CC(C2)NC(=O)NC34CC5CC(C3)CC(C5)C4 1 3.295 4 2 -19.7387397768136 3220694 CCOCCCNC(=S)N1C2CCC1CC(C2)NC(=O)NC3=CC=C(C=C3)C(=O)OCC 1 2.933 4 4 0 -20.937643341422 3220692 CCOCCCNC(=S)N1C2CCC1CC(C2)NC(=O)NC3CCCCC3 1 3.011 4 2 -18.2914228583993 3220691 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CC3CCC(C2)N3C(=S)NC 1 2.653 4 3 0 -15.4613391097441 3220690 CCNC(=S)N1C2CCC1CC(C2)NC(=O)NC3=CC=C(C=C3)C(=O)OCC 1 3.002 4 3 0 -15.7913658037972 3220689 CCNC(=S)N1C2CCC1CC(C2)NC(=O)NC3CCCCC3 1 3.079 4 1 -12.9231987530248 3220688 CNC(=S)N1C2CCC1CC(C2)NC(=O)NC34CC5CC(C3)CC(C5)C4 1 3.015 4 1 -13.8221896741789 3220687 CC(=O)C1=CC(=CC=C1)NC(=O)N2C3CCC2CC(C3)NC(=O)NC4=CC=CC=C4 1 2.147 4 3 0 -9.2170330113292 3220684 C1CC2CC(CC1N2C(=O)NCC3=CC=CC=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5 1 2.98 4 2 -11.977522379696 3220683 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2C3CCC2CC(C3)NC(=O)NC45CC6CC(C4)CC(C6)C5 1 3.158 5 4 0 -15.6384236529035 3220673 C1CCC(CC1)C(=O)NC2CC3CCCC(C2)N3CC(=O)NCC4=CC=C(C=C4)F 1 3.434 3 2 -10.5952191044762 3220671 C1CC2CC(CC(C1)N2CC(=O)NC3CC3)NC(=O)C4=CC=CC=C4 1 1.672 3 2 0 -11.1424054439011 3220669 C1CC2CC(CC(C1)N2CC(=O)NC3=NC=CS3)NC(=O)C4=CC=CC=C4 1 1.757 4 2 0 -11.0381033045087 3220666 COC1=CC=CC(=C1)C(=O)NC2CC3CCCC(C2)N3CC(=O)NC4=CC=CC=C4C(F)(F)F 1 3.685 3 3 -10.2675978126007 3220665 C1CC2CC(CC(C1)N2CC(=O)NC3=CC=CC=C3C(F)(F)F)NC(=O)C4=CC=CC=C4 1 3.702 3 2 -10.1734659911926 3220663 C1CCC(CC1)C(=O)NC2CC3CCCC(C2)N3CC(=O)NC4=CC=CC=C4C(F)(F)F 1 4.164 3 2 -7.68939886239932 3220657 CN(C)C1=CC=C(C=C1)NC(=O)CN2C3CCCC2CC(C3)NC(=O)C4=CC=CC=C4 1 2.922 4 2 -11.8048537062281 3220654 CCC1=C(C(=CC=C1)CC)NC(=O)CN2C3CCCC2CC(C3)NC(=O)NC4=CC(=CC=C4)OC 1 4.536 4 3 0 -10.0909171446475 3220653 C1CC2CC(CC(C1)N2CC(=O)NC3=CC=CC=C3)NC(=O)C4=CC=CO4 1 2.155 3 3 -8.2761445603578 3220652 C1CCC(CC1)C(=O)NC2CC3CCCC(C2)N3CC(=O)NC4=CC=CC=C4 1 3.221 3 2 -6.98456733420794 3220650 C1CC2CC(CC(C1)N2CC(=O)NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4 1 2.759 3 2 -9.59325292803707 3220645 C1CC2CC(CC(C1)N2)NC(=O)C3=CC=CC=C3 1 1.587 2 1 0 -5.89717820896742 3220639 C1COC2=C(O1)C=CC(=C2)NC(=O)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=N4 1 1.729 4 5 0 -14.0086436337466 3220624 CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)NC2=CC=CC3=CC=CC=C32 1 2.529 2 3 -8.6287810684906 3220619 COC1=CC(=C(C=C1)NC(=O)C(=O)NC2=CC=CC3=CC=CC=C32)OC 1 2.756 2 4 -9.03495853682053 3220617 C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)NC3=CC=CC=C3F 1 2.994 2 2 -5.79334554449857 3220588 CC1CCN(CC1)CC2=CC=C(C=C2)C3=NN(N=N3)CC(=O)NC4CCCCC4 1 3.665 6 1 0 -5.8611039382932 3220587 CC1CCN(CC1)CC2=CC=C(C=C2)C3=NN(N=N3)CC(=O)NC4=CC=CC=C4Cl 1 4.048 6 1 0 -2.38971231751127 3220583 CC1CCCCN1CC2=CC=C(C=C2)C3=NN(N=N3)CC(=O)NC4CCCCC4 1 3.791 6 1 0 -7.07763787787188 3220566 COC1=CC=C(C=C1)NC(=O)CS(=O)CC(=O)NCC2C3=CC=CC=C3CCO2 1 0.919 2 5 0 -12.5350259358446 3220564 CC1=CC(=C(C(=C1)C)NC(=O)CS(=O)CC(=O)NC2CCCC3=CC=CC=C23)C 1 3.437 2 3 -6.11013178722815 3220562 CC1=C(C(=CC=C1)C)NC(=O)CS(=O)CC(=O)NCC2C3=CC=CC=C3CCO2 1 1.908 2 4 0 -14.4389810345059 3220531 C1CC1C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC=CS3 1 1.648 4 2 0 -25.58215860683 3220530 CC(C)(C)C(=O)NC1=NN=C(S1)SCC(=O)NCC2=CC=CS2 1 2.437 4 2 -31.6559670945739 3220528 CCCCC(=O)NC1=NN=C(S1)SCC(=O)NC2CC2 1 1.636 4 2 0 -25.7435904934108 3220527 CCCC(=O)NC1=NN=C(S1)SCC(=O)NCC2=CC=CS2 1 2.014 4 2 -30.1453918629352 3220516 CCC(C)C(=O)NC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)F 1 2.935 4 2 -19.9261983803685 3220506 CC(C)N(C(C)C)C(=O)CSC1=NN=C(S1)NC(=O)CC2=CC=CS2 1 2.878 4 2 -24.4165875954536 3220504 CC(C)N(C(C)C)C(=O)CSC1=NN=C(S1)NC(=O)C2=CC=CS2 1 2.843 4 2 -21.8085799870228 3220493 CCC(C)C(=O)NC1=NN=C(S1)SCC(=O)NC2=CC=CC=C2F 1 2.935 4 2 -21.8929265528474 3220486 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CCC3)OC 1 2.325 4 4 0 -19.3735746644361 3220477 C1CC1C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC=CC=C3 1 1.908 4 2 0 -23.5487216694325 3220474 CC(C)C(=O)NC1=NN=C(S1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.515 5 3 0 -20.9732320843588 3220465 CCC(C)C(=O)NC1=NN=C(S1)SCC(=O)N2C(CCCC2C)C 1 3.031 4 2 -23.4917179664077 3220456 CC1CCCC(N1C(=O)CSC2=NN=C(S2)NC(=O)COC)C 1 1.182 4 3 0 -23.6078091012357 3220452 CC1CCCC(N1C(=O)CSC2=NN=C(S2)NC(=O)C(C)C)C 1 2.575 4 2 -23.8509017402402 3220444 CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=C(S3)NC(=O)C(C)C 1 2.931 4 2 -23.5945464030017 3220441 CCC(C)C(=O)NC1=NN=C(S1)SCC(=O)NC(C)(C)C 1 2.084 4 2 -26.6731520243968 3220440 CCCC(=O)NC1=NN=C(S1)SCC(=O)N2C(CCCC2C)C 1 2.568 4 2 -27.1304781652305 3220439 CC1CCCC(N1C(=O)CSC2=NN=C(S2)NC(=O)C)C 1 1.445 4 2 0 -20.9507687193413 3220431 CCC(=O)NC1=NN=C(S1)SCC(=O)N2C(CC3=CC=CC=C32)C 1 2.469 4 2 -21.4518286933445 3220428 CCC(C)C(=O)NC1=NN=C(S1)SCC(=O)NC2CCCCC2 1 3.011 4 2 -24.5922872783608 3220425 CCC(C)C(=O)NC1=NN=C(S1)SCC(=O)NC2CCCC2 1 2.555 4 2 -24.2378187641927 3220424 C1CCC(C1)NC(=O)CSC2=NN=C(S2)NC(=O)CCCl 1 1.75 4 2 0 -22.5839301106872 3220423 CCCCC(=O)NC1=NN=C(S1)SCC(=O)NC2CCCC2 1 2.548 4 2 -25.2299843132436 3220395 CCC(C(=O)NCC1CCCO1)OC(=O)C2=NSC(=C2Cl)Cl 1 2.676 2 4 -14.3207729011521 3220394 CCC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=NSC(=C2Cl)Cl 1 4.222 2 3 -10.4392632285236 3220393 CCC(C(=O)NCC1=CC=CS1)OC(=O)C2=NSC(=C2Cl)Cl 1 3.64 2 3 -12.514506641842 3220392 CCC(C(=O)NC(C)(C)CC)OC(=O)C1=NSC(=C1Cl)Cl 1 3.772 2 3 -11.3016092617655 3220391 CCC(C(=O)NCCOC)OC(=O)C1=NSC(=C1Cl)Cl 1 2.186 2 4 -13.4365042961903 3220383 CC(C)CC(C(=O)NCC1CCCO1)OC(=O)C2=NSC(=C2Cl)Cl 1 3.384 2 4 -14.9757240719645 3220381 CC(C)CC(C(=O)NCC1=CC=CS1)OC(=O)C2=NSC(=C2Cl)Cl 1 4.348 2 3 -13.1694578126544 3220373 CC(C)CC(C(=O)NC1CCCC1)OC(=O)C2=NSC(=C2Cl)Cl 1 4.427 2 3 -11.302258555552 3220372 CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=NSC(=C3Cl)Cl 1 3.988 2 5 0 -10.9665480436438 3220371 CC(C)C(C(=O)NCC1CCCO1)OC(=O)C2=NSC(=C2Cl)Cl 1 2.995 2 4 -13.9258122079059 3220368 CC(C)C(C(=O)NC(C)(C)C)OC(=O)C1=NSC(=C1Cl)Cl 1 3.567 2 3 -12.212478787959 3220367 CC(C)C(C(=O)NCCOC)OC(=O)C1=NSC(=C1Cl)Cl 1 2.505 2 4 -13.041543602944 3220366 CC(C)C(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=NSC(=C2Cl)Cl 1 4.203 2 4 -9.61321736692777 3220364 CC(C)C(C(=O)NCC1=CC=CC=C1)OC(=O)C2=NSC(=C2Cl)Cl 1 4.22 2 3 -10.0861090111983 3220363 CC(C)C(C(=O)NC1CCCCC1)OC(=O)C2=NSC(=C2Cl)Cl 1 4.494 2 3 -10.2130774662178 3220361 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=NSC(=C3Cl)Cl 1 3.145 2 5 0 -11.517487914603 3220360 CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=NSC(=C2Cl)Cl 1 3.665 2 5 0 -14.1204654903351 3220359 CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=NSC(=C2Cl)Cl 1 3.698 2 3 -10.5952424062366 3220358 CCC(C)(C)NC(=O)C(C)OC(=O)C1=NSC(=C1Cl)Cl 1 3.248 2 3 -11.3042568556169 3220339 C1CC(OC1)CNC(=O)C(C2=CC=C(C=C2)F)OC(=O)C3=CC=CS3 1 2.981 1 4 -17.2867818391042 3220335 CC(C)(C)NC(=O)C(C1=CC=C(C=C1)F)OC(=O)C2=CC=CS2 1 3.554 1 3 -15.6596440294966 3220334 COCCNC(=O)C(C1=CC=C(C=C1)F)OC(=O)C2=CC=CS2 1 2.492 1 4 -16.4025132341424 3220324 CC(C)(C)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=CS2 1 3.348 1 3 -18.2846211869417 3220319 C1=COC(=C1)CNC(=O)C(C2=CC=C(C=C2)Cl)OC(=O)C3=CC=CS3 1 3.847 1 4 -13.8484568905809 3220316 C1=CC=C(C(=C1)C(C(=O)NCC2=CC=CS2)OC(=O)C3=CC=CO3)F 1 3.388 1 4 -12.8079120760557 3220315 CCC(C)(C)NC(=O)C(C1=CC=CC=C1F)OC(=O)C2=CC=CO2 1 3.519 1 4 -11.6404858556434 3220314 CC(C)(C)NC(=O)C(C1=CC=CC=C1F)OC(=O)C2=CC=CO2 1 2.996 1 4 -12.8142123822152 3220313 COCCNC(=O)C(C1=CC=CC=C1F)OC(=O)C2=CC=CO2 1 1.933 1 5 0 -13.5570815868611 3220312 C1CCC(CC1)NC(=O)C(C2=CC=CC=C2F)OC(=O)C3=CC=CO3 1 3.923 1 4 -10.8148110604741 3220309 CC(C)(C)NC(=O)C(C1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=CO2 1 2.757 1 6 0 -15.6443436464227 3220306 COC1=C(C=C(C=C1)C(C(=O)NC2CCCC2)OC(=O)C3=CC=CO3)OC 1 3.228 1 6 0 -13.2904738105135 3220291 COC1=CC=CC=C1C(C(=O)NCC2CCCO2)OC(=O)C3=CC=CS3 1 2.759 1 5 -19.3131722525726 3220269 CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CS3 1 3.377 1 5 -13.2205278826045 3220268 CC(C)C(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC=CS2 1 3.93 1 3 -12.3956766007628 3220266 CC(C)C(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC=CS2 1 3.592 1 4 -11.8671972058885 3220265 CC(C)C(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=CC=CS2 1 3.814 1 3 -10.8133969199141 3220264 CC(C)C(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=CS2 1 3.609 1 3 -12.4374830766838 3220263 CC(C)C(C(=O)NC1CCCCC1)OC(=O)C2=CC=CS2 1 3.884 1 3 -12.3916233881605 3220261 CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=CS2 1 3.054 1 5 -16.3744453292958 3220260 CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC=CS2 1 3.087 1 3 -12.9466164717221 3220256 CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC=CS2 1 2.749 1 4 -12.4181370768477 3220251 C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CO3 1 3.717 1 4 -13.7290033009629 3220240 CCC(C)(C)NC(=O)C(C1=CC=C(C=C1)OC)OC(=O)C2=CC=CO2 1 3.297 1 5 -12.9835012246615 3220239 COCCNC(=O)C(C1=CC=C(C=C1)OC)OC(=O)C2=CC=CO2 1 1.712 1 6 0 -14.8023670556048 3220238 COC1=CC=C(C=C1)CNC(=O)C(C2=CC=C(C=C2)OC)OC(=O)C3=CC=CO3 1 3.41 1 6 0 -12.0316003185894 3220235 COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)OC(=O)C3=CC=CO3 1 3.701 1 5 -12.1578264294921 3220234 COC1=CC=C(C=C1)C(C(=O)NC2CCCC2)OC(=O)C3=CC=CO3 1 3.245 1 5 -11.8033579153241 3220232 CC1=CC=C(C=C1)C(C(=O)NC(C)(C)C)OC(=O)C2=CC=CO2 1 3.276 1 4 -13.8153044907242 3220227 CC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)OC(=O)C3=CC=CO3 1 4.203 1 4 -11.815903168983 3220226 CC1=CC=C(C=C1)C(C(=O)NC2CCCC2)OC(=O)C3=CC=CO3 1 3.747 1 4 -11.461434654815 3220223 COC1=CC=CC=C1C(C(=O)NC2CCCCC2)OC(=O)C3=CC=CO3 1 3.701 1 5 -13.1304165569862 3220218 CCC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC=CO2 1 2.715 1 5 -9.70594133489713 3220216 CCC(C(=O)NC1CCCC1)OC(=O)C2=CC=CO2 1 2.55 1 4 -10.2696367424446 3220213 CC(C)CC(C(=O)NC1CCCC1)OC(=O)C2=CC=CO2 1 3.258 1 4 -10.924587913257 3220212 CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CO3 1 2.819 1 6 0 -10.6643113183669 3220206 CC(C)C(C(=O)NC1CCCC1)OC(=O)C2=CC=CO2 1 2.869 1 4 -9.48093830975481 3220201 CC(C(=O)NC1CCCC1)OC(=O)C2=CC=CO2 1 2.026 1 4 -10.1180737910532 3220153 CC1=CC(=NO1)NC(=O)C2C3C(=O)N(C(C34C=CC2(O4)C)C(=O)NC5CCCCC5)CC6=CC=C(C=C6)Cl 1 2.753 4 5 0 -9.57237981223115 3220152 CC1=CC(=NO1)NC(=O)C2C3C(=O)N(C(C34C=CC2(O4)C)C(=O)NC(C)(C)C)CC5=CC=C(C=C5)Cl 1 1.826 4 5 0 -12.3715957517786 3220142 CC1=CC(=NO1)NC(=O)C2C3C(=O)N(C(C34C=CC2(O4)C)C(=O)NC(C)(C)C)C5=CC=CC(=C5)C(=O)C 1 0.895 4 6 0 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COC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)NCC3=CC=CC=C3)OC 1 2.359 3 4 0 -15.5276723565293 3219741 COC1=CC(=C(C=C1)OC)NC(=O)C2CCCN2C(=O)NC3CCCCC3 1 2.633 3 4 0 -13.4235932336274 3219739 CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)NC3CCCCC3)F 1 3.358 3 2 -9.65680032555834 3219733 CCOC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)NC3CCCCC3 1 2.999 3 3 -12.5793970124007 3219732 COC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)NC3CCCCC3 1 2.65 3 3 -11.8131738606927 3219731 COC1=CC=CC=C1NC(=O)C2CCCN2C(=O)NC3CCCCC3 1 2.65 3 3 -14.2939975556686 3219723 COC1=CC=CC=C1NC(=O)N2CCCC2C(=O)NCCC3=CC=CC=C3 1 2.696 3 3 -15.9094400509185 3219718 COC1=CC=CC=C1NC(=O)N2CCCC2C(=O)NC3=CC4=C(C=C3)OCCO4 1 2.154 3 5 0 -15.5460427695985 3219706 COC1=CC=CC=C1NC(=O)N2CCCC2C(=O)NCC3=CC=CS3 1 2.115 3 3 -17.6146049421296 3219705 COC1=CC=CC=C1NC(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.143 3 5 0 -16.3642128106528 3219704 COC1=CC=CC=C1NC(=O)N2CCCC2C(=O)NCC3=CC=CC=C3Cl 1 3.039 3 3 -16.2010113009236 3219699 CC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NCC3=CC=CS3 1 2.618 3 2 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COC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NC3=CC=CC=C3 1 2.368 3 3 -8.29951908875454 3219663 COC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NCC3=CC=CS3 1 2.115 3 3 -14.6241076797752 3219662 COC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NCC3=CC=CC=C3Cl 1 3.039 3 3 -13.1394952680815 3219661 COC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)NCC3=CC=C(C=C3)F 1 2.581 3 3 -11.0639788121328 3219635 CC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)NCC3=CC=CC=C3 1 2.878 3 2 -10.1975536074964 3219634 C1CC(N(C1)C(=O)NCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 2.391 3 2 -10.647239207918 3219630 COC1=CC=C(C=C1)CNC(=O)C2CCCN2C(=O)NCC3=CC=CC=C3 1 2.382 3 3 -10.7282022724233 3219629 C1CC(N(C1)C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3Cl 1 3.063 3 2 -13.6026283836534 3219618 C1CCC(CC1)NC(=O)N2CCCC2C(=O)NCC3=CC=CC=C3Cl 1 3.338 3 2 -15.9183850186531 3219616 C1CCC(CC1)NC(=O)N2CCCC2C(=O)NCC3=CC=CC=C3F 1 2.879 3 2 -15.9917233375521 3219614 CCC(C)(C)NC(=O)C1CCCN1C(=O)NC2CCCCC2 1 2.545 3 2 -15.4864041116768 3219609 CC(C)CCNC(=O)C1CCCN1C(=O)NC2CCCCC2 1 2.67 3 2 -19.5351557116295 3219603 CC1=CC=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.337 2 3 -13.3347163719292 3219597 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC=CC=C3F 1 2.878 2 3 -16.5936928118985 3219590 CC1=CC=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F 1 2.878 2 3 -14.4448380370507 3219589 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCC3=CC=CC=C3 1 2.713 2 3 -15.5169062175291 3219579 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.16 2 5 0 -16.1400919742759 3219578 COC1=C(C=C(C=C1)CCNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F)OC 1 2.68 2 5 0 -19.1131722502627 3219577 COC1=CC=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F 1 2.375 2 4 -14.8578042461949 3219574 C1CCC(CC1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F 1 2.667 2 3 -13.7735912204185 3219489 CC1=CC=CC2=CC(=C(N=C12)Cl)CNCC3CCCO3 1 3.272 2 1 1.88384404959181 3219503 C1CCC(CC1)NC(=O)CN(CC2=CC=C(C=C2)F)C(=O)C3CC(=O)SC3 1 2.645 2 3 -12.4363834556724 3219534 CC(C(=O)N)SC1=NN=C(O1)CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.479 4 4 0 -13.9354967885146 3219520 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2.913 3 1 -14.6776787107627 3218514 CCC(=O)NC1CCN(CC1)C(=S)NC 1 1.025 3 1 0 -15.1149493613533 3218513 CNC(=S)N1CCC(CC1)NC(=O)C2=CC=CO2 1 1.417 3 2 0 -13.9180914791801 3218500 CCOC1=CC=C(C=C1)C(=O)NC2CCN(CC2)C(=O)N3CCCC3 1 1.403 3 3 0 -9.38634521916065 3218496 COC1=CC(=CC(=C1)C(=O)NC2CCN(CC2)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)OC 1 4.019 3 4 0 -5.86975409154858 3218495 C1CN(CCC1NC(=O)C2=CC=CC=C2Cl)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 4.716 3 2 -3.62575434696231 3218494 C1CN(CCC1NC(=O)C2=CC=CC=C2F)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 4.257 3 2 -4.81852564928778 3218493 COC1=CC=CC(=C1)C(=O)NC2CCN(CC2)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 4.035 3 3 -4.14498602436294 3218488 CC1=CC=CC=C1C(=O)NC2CCN(CC2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4 1 4.249 3 2 -12.7268125002947 3218481 CC1=CC=CC(=C1)C(=O)NC2CCN(CC2)C(=O)N3CCOCC3 1 0.784 3 3 0 -9.95206994799417 3218480 CC1=CC=CC=C1C(=O)NC2CCN(CC2)C(=O)N3CCOCC3 1 0.784 3 3 0 -12.8903919257353 3218469 CC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)NC(=O)C34CC5CC(C3)CC(C5)C4 1 2.612 3 3 -11.6595170351611 3218456 C1CCC(CC1)C(=O)NC2CCN(CC2)C(=O)NC3=CC(=CC=C3)Cl 1 3.107 3 2 -4.40724735328 3218453 C1CN(CCC1NC(=O)C2=CC=CO2)C(=O)NC3=CC=CC=C3Cl 1 2.04 3 3 -8.27548424999251 3218451 CC1=CC=CC=C1C(=O)NC2CCN(CC2)C(=O)NC3=CC=CC=C3Cl 1 3.131 3 2 -11.4327976886098 3218449 COC1=CC=C(C=C1)C(=O)NC2CCN(CC2)C(=O)NC3=CC=CC=C3Cl 1 2.629 3 3 -8.91687979725833 3218447 C1CN(CCC1NC(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3Cl 1 2.645 3 2 -9.46797415263594 3218442 C1CN(CCC1NC(=O)C2=CC=CO2)C(=O)NC3=CC(=CC=C3)F 1 1.581 3 3 0 -6.71078835836969 3218438 C1CN(CCC1NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC=C5F 1 3.077 3 2 -10.1177587564721 3218425 CC1=CC=CC=C1C(=O)NC2CCN(CC2)C(=O)NC3=CC(=CC(=C3)C)C 1 3.439 3 2 -12.0677550587689 3218410 CCOC1=CC=CC=C1NC(=O)N2CCC(CC2)NC(=O)C3CCCCC3 1 2.775 3 3 -11.2554366038392 3218407 CCOC1=CC=C(C=C1)C(=O)NC2CCN(CC2)C(=O)NC3=CC=CC=C3OC 1 2.297 3 4 0 -13.1444390193127 3218404 COC1=CC=CC=C1NC(=O)N2CCC(CC2)NC(=O)C3CCCCC3 1 2.426 3 3 -10.4621858549592 3218403 CC1=CC=C(C=C1)NC(=O)N2CCC(CC2)NC(=O)C(C)(C)C 1 2.349 3 2 -14.1358595442065 3218400 CC1=CC(=CC=C1)NC(=O)N2CCC(CC2)NC(=O)C3=CC=CO3 1 1.862 3 3 0 -6.61414847067101 3218397 CC1=CC=CC(=C1)C(=O)NC2CCN(CC2)C(=O)NC3=CC=CC=C3C 1 2.953 3 2 -11.1771105821332 3218394 C1CN(CCC1NC(=O)CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 2.022 3 2 -14.0590700905187 3218387 CC1=CC=C(C=C1)C(=O)NC2CCN(CC2)C(=O)NC3CCCCC3 1 2.748 3 2 -11.0662310453012 3218374 C1CC2CC(CC(C1)N2S(=O)(=O)C3=CC=CC=C3)NC(=O)C4=CC=CO4 1 2.145 2 4 -10.8935451235083 3218373 CC1=CC=CC(=C1)C(=O)NC2CC3CCCC(C2)N3S(=O)(=O)C4=CC=CC=C4 1 3.236 2 3 -11.0415178138968 3218371 C1CCC(CC1)C(=O)NC2CC3CCCC(C2)N3S(=O)(=O)C4=CC=CC=C4 1 3.212 2 3 -9.60196789735847 3218370 COC1=CC=CC(=C1)C(=O)NC2CC3CCCC(C2)N3S(=O)(=O)C4=CC=CC=C4 1 2.733 2 4 -12.1801668475599 3218363 CC1=CC=C(C=C1)C(=O)NC2CC3CCCC(C2)N3C(=S)NCC4=CC=CO4 1 4.248 3 2 -13.0525118280776 3218358 CC1=CC(=CC(=C1)NC(=S)N2C3CCCC2CC(C3)NC(=O)C4CC4)C 1 4.917 3 1 -12.3633367333208 3218357 CC1=C(C=C(C=C1)NC(=S)N2C3CCCC2CC(C3)NC(=O)C4CC4)C 1 4.917 3 1 -12.1470536321128 3218353 C1CC2CC(CC(C1)N2C(=S)NC3=CC=CC=C3Cl)NC(=O)C4CC4 1 4.609 3 1 -10.3379689942876 3218346 CCOC1=CC=C(C=C1)NC(=S)N2C3CCCC2CC(C3)NC(=O)C4CC4 1 4.277 3 2 -13.0783281783248 3218342 COC1=CC=CC(=C1)NC(=S)N2C3CCCC2CC(C3)NC(=O)C4CC4 1 3.928 3 2 -11.9553996319291 3218338 C1CC2CC(CC(C1)N2C(=S)NC3=CC=C(C=C3)Cl)NC(=O)C4CC4 1 4.609 3 1 -10.0771401268858 3218336 C1CC2CC(CC(C1)N2C(=S)NCCC3=CC=CC=C3)NC(=O)C4CC4 1 3.995 3 1 -13.5586296476275 3218329 CC1=CC(=C(C=C1)C)NC(=S)N2C3CCCC2CC(C3)NC(=O)C4CC4 1 4.917 3 1 -12.1172749494088 3218324 C1CC2CC(CC(C1)N2C(=S)NC3=CC=CC=C3)NC(=O)C4CC4 1 3.945 3 1 -12.055792955846 3218304 CNC(=S)N1C2CCCC1CC(C2)NC(=O)C3=CC=C(C=C3)F 1 3.202 3 1 -10.2440048797912 3218303 CC1=CC=C(C=C1)C(=O)NC2CC3CCCC(C2)N3C(=S)NC 1 3.483 3 1 -10.9558819052564 3218296 C1CC2CC(CC(C1)N2C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)NC(=O)C4CC4 1 3.655 3 2 -8.40296317885088 3218293 CC(C)(C)C(=O)NC1CC2CCCC(C1)N2C(=O)NC3=CC=C(C=C3)Cl 1 3.502 3 2 -10.0486035631314 3218290 CC(C)(C)C(=O)NC1CC2CCCC(C1)N2C(=O)NC3=CC(=CC=C3)Cl 1 3.502 3 2 -9.12173299701278 3218288 CC(=O)NC1CC2CCCC(C1)N2C(=O)NC3=CC(=CC=C3)Cl 1 1.955 3 2 0 -4.36221654310629 3218287 CC(C)(C)C(=O)NC1CC2CCCC(C1)N2C(=O)NC3=CC=CC=C3Cl 1 3.502 3 2 -11.6442924797106 3218286 C1CC2CC(CC(C1)N2C(=O)NC3=CC=CC=C3Cl)NC(=O)C4CC4 1 2.713 3 2 -8.05922815122925 3218281 C1CC2CC(CC(C1)N2C(=O)NC3=CC=C(C=C3)F)NC(=O)C4=CC=CC=C4 1 3.161 3 2 -6.5487366136776 3218278 C1CC2CC(CC(C1)N2C(=O)NC3=CC(=CC=C3)F)NC(=O)C4CC4 1 2.254 3 2 -6.49453225960643 3218274 CC(C)(C)C(=O)NC1CC2CCCC(C1)N2C(=O)NC3=CC=CC=C3F 1 3.043 3 2 -12.8998078981504 3218273 C1CC2CC(CC(C1)N2C(=O)NC3=CC=CC=C3F)NC(=O)C4CC4 1 2.254 3 2 -9.31474356966906 3218267 CC1=CC(=CC(=C1)NC(=O)N2C3CCCC2CC(C3)NC(=O)C4CC4)C 1 3.021 3 2 -8.74973584108503 3218259 COC1=CC=C(C=C1)NC(=O)N2C3CCCC2CC(C3)NC(=O)C4=CC=CC=C4 1 2.939 3 3 -7.67357984828699 3218255 COC1=CC=CC=C1NC(=O)N2C3CCCC2CC(C3)NC(=O)C4=CC=CC=C4 1 2.939 3 3 -10.7350958811291 3218254 CC1=CC=C(C=C1)NC(=O)N2C3CCCC2CC(C3)NC(=O)C(C)(C)C 1 3.323 3 2 -11.8706022537182 3218252 CC1=CC(=CC=C1)NC(=O)N2C3CCCC2CC(C3)NC(=O)C(C)(C)C 1 3.323 3 2 -9.98295670038909 3218251 CC1=CC(=CC=C1)NC(=O)N2C3CCCC2CC(C3)NC(=O)C4CC4 1 2.535 3 2 -6.39789237190775 3218237 CC(C)(C)C(=O)NC1CC2CCCC(C1)N2C(=O)NC3=CC=CC=C3 1 2.837 3 2 -12.0272563920916 3218236 C1CC2CC(CC(C1)N2C(=O)NC3=CC=CC=C3)NC(=O)C4CC4 1 2.049 3 2 -8.44219206361023 3218233 C1CC2CC(CC(C1)N2C(=O)NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4 1 2.955 3 2 -7.71029923956445 3218232 CC(=O)NC1CC2CCCC(C1)N2C(=O)NC3=CC=CC=C3 1 1.291 3 2 0 -7.26773993818508 3218231 COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C3CCC2CC(C3)NC(=O)C4CC4 1 1.243 2 5 0 -15.1197054011978 3218229 CC(=O)C1=CC(=CC=C1)NC(=O)N2C3CCC2CC(C3)NC(=O)C4CC4 1 1.332 3 3 0 -10.8444938081865 3218226 CC1=CC=CC=C1C(=O)NC2CC3CCCC(C2)N3CC4=CC=C(C=C4)Cl 1 4.857 2 1 -4.59023343377974 3218220 CCCCN1C2CCCC1CC(C2)NC(=O)C3=CC(=CC=C3)Cl 1 4.116 2 1 -3.6415538966127 3218219 CCCCN1C2CCCC1CC(C2)NC(=O)C3=CC=CC=C3Cl 1 4.116 2 1 -6.48501505227422 3218215 CCCCN1C2CCCC1CC(C2)NC(=O)C3CCCCC3 1 3.914 2 1 -4.66989469350391 3218214 CCCCN1C2CCCC1CC(C2)NC(=O)C3=CC(=CC=C3)OC 1 3.435 2 2 -7.07526550016247 3218212 CCCCN1C2CCCC1CC(C2)NC(=O)N(C(C)C)C(C)C 1 3.442 3 1 -5.08972164778166 3218206 C1CC2CC(CC(C1)N2CC3=CC=CS3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.341 3 3 -8.36698889319075 3218185 CC1=CC(=CC(=C1)NC(=S)NC2CC3CCCC(C2)N3CC4=CC=CS4)C 1 5.893 3 0 -7.66737252912196 3218183 CC1=C(C(=CC=C1)NC(=S)NC2CC3CCCC(C2)N3CC4=CC=CS4)C 1 5.893 3 0 -5.36530364544151 3218181 C1CC2CC(CC(C1)N2CC3=CC=CS3)NC(=S)NC4=CC=C(C=C4)F 1 5.126 3 0 -6.56673150482664 3218178 CCC1=CC=C(C=C1)NC(=S)NC2CC3CCCC(C2)N3CC4=CC=CS4 1 5.863 3 0 -7.51804666607098 3218177 CCC1=CC=CC=C1NC(=S)NC2CC3CCCC(C2)N3CC4=CC=CS4 1 5.863 3 0 -8.49186459087142 3218176 CC1=CC=C(C=C1)NC(=S)NC2CC3CCCC(C2)N3CC4=CC=CS4 1 5.407 3 0 -7.27860853029189 3218175 CC1=CC(=CC=C1)NC(=S)NC2CC3CCCC(C2)N3CC4=CC=CS4 1 5.407 3 0 -5.48835720348754 3218173 COCCCNC(=S)NC1CC2CCCC(C1)N2CC3=CC=CS3 1 2.998 3 1 -13.6634441972497 3218172 COCCNC(=S)NC1CC2CCCC(C1)N2CC3=CC=CS3 1 2.935 3 1 -13.029832021396 3218171 CC(C)CNC(=S)NC1CC2CCCC(C1)N2CC3=CC=CS3 1 4.258 3 0 -9.69824922199759 3218162 CC1=CC=C(C=C1)NC(=S)NC2CC3CCCC(C2)N3CC4=CC=CO4 1 4.849 3 1 -6.57222794549829 3218161 CC1=CC(=CC=C1)NC(=S)NC2CC3CCCC(C2)N3CC4=CC=CO4 1 4.849 3 1 -4.78197661869394 3218159 COCCCNC(=S)NC1CC2CCCC(C1)N2CC3=CC=CO3 1 2.439 3 2 -12.957063612456 3218158 COCCNC(=S)NC1CC2CCCC(C1)N2CC3=CC=CO3 1 2.377 3 2 -12.3234514366024 3218157 CC(C)CNC(=S)NC1CC2CCCC(C1)N2CC3=CC=CO3 1 3.7 3 1 -8.99186863720399 3218156 CCNC(=S)NC1CC2CCCC(C1)N2CC3=CC=CO3 1 2.857 3 1 -8.42620215965328 3218155 CNC(=S)NC1CC2CCCC(C1)N2CC3=CC=CO3 1 2.508 3 1 -8.2646282540986 3218145 CCOC1=CC=CC=C1C(=O)NC2CC3CCCC(C2)N3CC4=CC=C(C=C4)C 1 4.525 2 2 -5.92423921095069 3218141 CC1=CC=C(C=C1)CN2C3CCCC2CC(C3)NC(=O)C4=CC=C(C=C4)F 1 4.398 2 1 -2.93988399541815 3218140 CC1=CC=C(C=C1)CN2C3CCCC2CC(C3)NC(=O)C4=CC(=CC=C4)OC 1 4.176 2 2 -4.6125591802885 3218139 CC1=CC=C(C=C1)CN2C3CCCC2CC(C3)NC(=O)C4=CC=C(C=C4)C 1 4.679 2 1 -4.47807996310095 3218135 CC1=CC=C(C=C1)CN2C3CCCC2CC(C3)NC(=S)NCC4=CC=CC=C4 1 5.396 3 0 -7.01518482297736 3218131 CC1=CC=C(C=C1)CN2C3CCCC2CC(C3)NC(=S)NC 1 3.812 3 0 -6.35017875394208 3218129 CC1=CC=C(C=C1)CN2C3CCCC2CC(C3)NC(=O)NC4=CC(=CC=C4)F 1 4.306 3 1 -1.95581369135505 3218123 COC1=CC=C(C=C1)CN2C3CCCC2CC(C3)NC(=O)C4=CC(=CC=C4)F 1 3.896 2 2 -3.24019411673819 3218113 CC1=CC(=CC=C1)NC(=O)NC2CC3CCCC(C2)N3CC4=CC=C(C=C4)OC 1 4.085 3 2 -2.27214001280051 3218112 CC1=CC=CC=C1NC(=O)NC2CC3CCCC(C2)N3CC4=CC=C(C=C4)OC 1 4.085 3 2 -7.85171716705097 3218109 COC1=CC=C(C=C1)CN2C3CCCC2CC(C3)NC(=O)NC4=CC=CC=C4 1 3.598 3 2 -4.31643970450299 3218103 COC1=CC(=C(C=C1)C(=O)NC2CC3CCCC(C2)N3CC4=CC=CC=C4)OC 1 3.674 2 3 -4.63097216442586 3218102 CCOC1=CC=C(C=C1)C(=O)NC2CC3CCCC(C2)N3CC4=CC=CC=C4 1 4.039 2 2 -5.64576528651516 3218098 C1CC2CC(CC(C1)N2CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.601 3 3 -6.56097371302023 3218096 CCOC1=CC=CC=C1C(=O)NC2CC3CCCC(C2)N3CC4=CC=CC=C4 1 4.039 2 2 -6.90746711274269 3218095 COC1=C(C=C(C=C1)C(=O)NC2CC3CCCC(C2)N3CC4=CC=CC=C4)OC 1 3.674 2 3 -9.4375462752694 3218093 C1CC2CC(CC(C1)N2CC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)Cl 1 4.371 2 1 -2.09105670804311 3218091 CC1=CC=CC(=C1)C(=O)NC2CC3CCCC(C2)N3CC4=CC=CC=C4 1 4.193 2 1 -4.38611927792978 3218090 CC1=CC=CC=C1C(=O)NC2CC3CCCC(C2)N3CC4=CC=CC=C4 1 4.193 2 1 -7.39546002615856 3218088 C1CCC(CC1)C(=O)NC2CC3CCCC(C2)N3CC4=CC=CC=C4 1 4.169 2 1 -2.94656936139145 3218086 COC1=CC=C(C=C1)C(=O)NC2CC3CCCC(C2)N3CC4=CC=CC=C4 1 3.69 2 2 -4.87954213480713 3218081 CC1=C(C(=CC=C1)NC(=S)NC2CC3CCCC(C2)N3CC4=CC=CC=C4)C 1 6.153 3 0 -3.55928846527098 3218078 CCC1=CC=C(C=C1)NC(=S)NC2CC3CCCC(C2)N3CC4=CC=CC=C4 1 6.123 3 0 -5.84720403939699 3218070 COC1=CC=CC(=C1)NC(=S)NC2CC3CCCC(C2)N3CC=C 1 4.198 3 1 -9.90461608110259 3218069 C=CCN1C2CCCC1CC(C2)NC(=S)NC3=CC=C(C=C3)Cl 1 4.878 3 0 -8.02635657605929 3218061 CC1=CC(=CC(=C1)NC(=O)NC2CC3CCCC(C2)N3CC=C)C 1 3.62 3 1 -9.40159409413799 3218028 CC(C)CNC(=S)NC1CC2CCCC(C1)N2C3CCCCC3 1 4.793 3 0 -8.0253982534945 3218017 CC1=CC(=CC(=C1)NC(=S)NC2CC3CCCC(C2)N3C4CCCC4)C 1 5.972 3 0 -5.64005304645079 3218012 C1CCC(C1)N2C3CCCC2CC(C3)NC(=S)NC4=CC(=CC=C4)Cl 1 5.664 3 0 -2.42698587389719 3218011 COC1=CC=CC(=C1)NC(=S)NC2CC3CCCC(C2)N3C4CCCC4 1 4.983 3 1 -5.23211594505911 3218010 C1CCC(C1)N2C3CCCC2CC(C3)NC(=S)NC4=CC=C(C=C4)Cl 1 5.664 3 0 -3.35385644001582 3218000 C1CCC(CC1)NC(=O)NC2CC3CCCC(C2)N3C4CCCC4 1 3.715 3 1 -5.50117804692098 3217994 CCCN1C2CCCC1CC(C2)NC(=O)NC3=CC=C(C=C3)C(C)C 1 4.098 3 1 -5.67780639900309 3217990 CCCN1C2CCCC1CC(C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.89 3 3 -9.29647293598726 3217988 CCCN1C2CCCC1CC(C2)NC(=O)C3=CC(=CC(=C3)OC)OC 1 2.963 2 3 -8.72460212968622 3217987 CCCN1C2CCCC1CC(C2)NC(=O)C3=CC=CC=C3OC 1 2.979 2 2 -7.75798773794237 3217986 CCCN1C2CCCC1CC(C2)NC(=O)C3=CC=C(C=C3)Br 1 3.744 2 1 -5.50086881406724 3217985 CCCN1C2CCCC1CC(C2)NC(=O)C3=CC=CC=C3Br 1 3.744 2 1 -5.31846966120446 3217984 CCCN1C2CCCC1CC(C2)NC(=O)C3=CC(=CC=C3)Cl 1 3.66 2 1 -3.39329431540795 3217980 CCCN1C2CCCC1CC(C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C 1 4.396 2 1 -3.28807361044131 3217977 CCCN1C2CCCC1CC(C2)NC(=O)C3CCCCC3 1 3.458 2 1 -4.42163511229916 3217975 CCCN1C2CCCC1CC(C2)NC(=O)C3=CC=C(C=C3)OC 1 2.979 2 2 -6.27917396869676 3217973 CCCN1C2CCCC1CC(C2)NC(=O)C3=CC(=CC=C3)OC 1 2.979 2 2 -6.82700591895772 3217971 CCCN1C2CCCC1CC(C2)NC(=S)NC3=CC(=CC(=C3)C)C 1 5.442 3 0 -7.33642309985914 3217970 CCCN1C2CCCC1CC(C2)NC(=S)NC3=CC=CC(=C3C)C 1 5.442 3 0 -4.86152607263583 3217912 CCOC1=CC=C(C=C1)C(=O)NC2CC3CCCC(C2)N3CC(C)C 1 3.647 2 2 -8.2261818535001 3217920 C1CC2CC(CC(C1)N2C3CC3)NC(=S)NC4=CC=C(C=C4)Cl 1 4.751 3 0 -3.05720336801427 3217922 COC1=CC=C(C=C1)NC(=S)NC2CC3CCCC(C2)N3C4CC4 1 4.071 3 1 -5.29216826774522 3217927 C1CC2CC(CC(C1)N2C3CC3)NC(=S)NC4=CC=CC=C4Cl 1 4.751 3 0 -3.87409794770583 3217930 CC1=CC(=CC(=C1)NC(=S)NC2CC3CCCC(C2)N3C4CC4)C 1 5.059 3 0 -5.34339997444924 3217966 CCCN1C2CCCC1CC(C2)NC(=S)NC3=CC=C(C=C3)OC 1 4.453 3 1 -7.28519139315513 3217962 CCCN1C2CCCC1CC(C2)NC(=S)NC3=C(C=CC(=C3)C)C 1 5.442 3 0 -7.64642702823695 3217961 CCCN1C2CCCC1CC(C2)NC(=S)NC3=CC=CC(=C3)C 1 4.956 3 0 -4.98457963068186 3217958 CCCN1C2CCCC1CC(C2)NC(=S)NCCCOCC 1 2.896 3 1 -14.6221074035094 3215701 CCC(C)(C)NC(=O)C(C1=CC(=CC=C1)OC)N(C2=CN=CC=C2)C(=O)CNC(=O)C3=CC=CS3 1 2.9 4 4 0 -20.0005592587708 3215661 CC(C)C1=CC=C(C=C1)C(C(=O)NC(C)(C)C)N(C2=CN=CC=C2)C(=O)CNC(=O)C3=CC=CO3 1 3.029 4 4 0 -18.3901305493089 3215660 CC1=C(C(=CC=C1)N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)C2=CC=CS2)C 1 2.797 3 3 -20.9565426247032 3215659 CC1=CC(=C(C=C1)C)N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)C2=CC=CS2 1 2.797 3 3 -20.7314296708929 3215657 CC1=C(C=C(C=C1)N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)C2=CC=CS2)C 1 2.797 3 3 -20.7854454067855 3215656 CC1=CC(=C(C=C1)N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)C2=CC=CS2)C 1 2.797 3 3 -20.8894098704812 3215655 CC1=CC(=CC=C1)N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)C2=CC=CS2 1 2.311 3 3 -20.360011001846 3215652 CCC(C)C1=CC=C(C=C1)N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)C2=CC=CS2 1 3.475 3 3 -20.1666795593422 3215649 CCC1=CC=C(C=C1)N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)C2=CC=CS2 1 2.767 3 3 -20.2960630703128 3215646 CC1=CC=C(C=C1)CN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)C2=CC=CS2 1 2.318 3 3 -21.2173688602564 3215643 CC1=CC(=CC(=C1)N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)C2=CC=CS2)C 1 2.797 3 3 -20.5448908482229 3215641 CC(C)(C)NC(=O)CN(CC1=CC2=C(C=C1)OCO2)C(=O)CNC(=O)C3=CC=CS3 1 1.599 3 5 0 -22.5169628318863 3215640 CC1=CC(=C(C(=C1)C)N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)C2=CC=CS2)C 1 3.283 3 3 -19.537087237763 3215630 CC1=CC=C(C=C1)N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)C2=CC=CS2 1 2.311 3 3 -20.0566249345338 3215627 CC(C)(C)NC(=O)CN(C1=CC2=C(C=C1)OCCO2)C(=O)CNC(=O)C3=CC=CS3 1 1.61 3 5 0 -23.2507076164302 3215623 CC(C)(C)NC(=O)CN(C1=CC=CC=C1F)C(=O)CNC(=O)C2=CC=CS2 1 2.03 3 3 -22.7244882605587 3215619 CC1=CC=C(C=C1)C(C(=O)NCC2=CC=CO2)N(C3=CC=CC=C3C)C(=O)CNC(=O)C4=CC=CS4 1 4.35 3 4 0 -20.4419034273227 3215617 CC1=CC=C(C=C1)C(C(=O)NCC2=CC=CO2)N(C3=CC=C(C=C3)C)C(=O)CNC(=O)C4=CC=CS4 1 4.35 3 4 0 -18.007112585068 3215615 CC1=CC=C(C=C1)C(C(=O)NCC2=CC=CO2)N(C3=C(C=C(C=C3)C)C)C(=O)CNC(=O)C4=CC=CS4 1 4.836 3 4 0 -18.0522767354475 3215613 CC1=CC=C(C=C1)C(C(=O)NCC2=CC=CO2)N(C3=C(C=CC=C3C)C)C(=O)CNC(=O)C4=CC=CS4 1 4.836 3 4 0 -17.1477586354951 3215587 CC1=CC=C(C=C1)C(C(=O)NCC2=CC=CO2)N(C3=C(C=C(C=C3C)C)C)C(=O)CNC(=O)C4=CC=CS4 1 5.322 3 4 0 -16.9500165051583 3215560 CC(=O)NC1=CC=C(C=C1)N(C(C2=CC=CC=C2F)C(=O)NCC3=CC=CO3)C(=O)CNC(=O)C4=CC=CO4 1 2.145 4 6 0 -20.7892314052887 3215530 CC(=O)C1=CC(=CC=C1)N(C(C2=CC=CC=C2)C(=O)NCC3=CC=CO3)C(=O)CNC(=O)C4=CC=CO4 1 2.559 3 6 0 -20.7337103791555 3215529 CC(=O)NC1=CC=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NCC3=CC=CO3)C(=O)CNC(=O)C4=CC=CO4 1 1.939 4 6 0 -21.5260401904854 3215503 COC1=CC=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 2.396 3 6 0 -20.2780466286145 3215502 COC1=CC=CC=C1N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 2.396 3 6 0 -23.5156251296174 3215501 COC1=CC(=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4)OC 1 2.38 3 7 0 -21.2858478148278 3215500 COC1=C(C=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4)OC 1 2.38 3 7 0 -22.6652010828456 3215499 COC1=CC(=CC(=C1)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4)OC 1 2.38 3 7 0 -21.5551359219379 3215498 CCOC1=CC=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 2.745 3 6 0 -21.0442697803225 3215497 CCOC1=CC=CC(=C1)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 2.745 3 6 0 -20.5184241787855 3215494 COC1=C(C=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4)Cl 1 3.061 3 6 0 -21.0656283225724 3215493 CCC1=CC=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 3.355 3 5 0 -20.1045185552494 3215487 CC(=O)C1=CC=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 2.152 3 6 0 -23.579762950267 3215486 CC(=O)C1=CC(=CC=C1)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 2.152 3 6 0 -22.9035013955011 3215485 CC(=O)NC1=CC=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 1.533 4 6 0 -23.695831206831 3215483 CC1=CC(=CC=C1)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 2.899 3 5 0 -18.9955229147145 3215481 CC1=CC(=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4)C 1 3.385 3 5 0 -20.0901488198575 3215480 CC1=CC(=C(C=C1)C)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 3.385 3 5 0 -20.1984795774733 3215479 CC1=C(C=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4)C 1 3.385 3 5 0 -19.420957319654 3215475 CC1=CC(=C(C=C1)OC)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 2.882 3 6 0 -20.6318919033187 3215470 C1CC(OC1)CNC(=O)C(C2=CC=CC=C2)N(CC3=CC=CC=C3)C(=O)CNC(=O)C4=CC=CO4 1 2.42 3 5 0 -20.5446188191934 3215468 COC1=CC=C(C=C1)CN(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 2.403 3 6 0 -19.8497386615097 3215467 COC1=CC=CC=C1CN(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 2.403 3 6 0 -20.7430642162375 3215466 C1CC(OC1)CNC(=O)C(C2=CC=CC=C2)N(CC3=CC=C(C=C3)F)C(=O)CNC(=O)C4=CC=CO4 1 2.625 3 5 0 -18.7248954269003 3215464 COC1=CC=C(C=C1)N(C(C2=CC(=C(C=C2)OC)OC)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 2.363 3 8 0 -22.3529911307753 3215458 CC1=CC(=C(C=C1)C)N(C(C2=CC(=C(C=C2)OC)OC)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 3.352 3 7 0 -22.5820348327652 3215457 CC1=C(C=C(C=C1)N(C(C2=CC(=C(C=C2)OC)OC)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4)C 1 3.352 3 7 0 -21.8045125749459 3215456 CC1=CC(=CC(=C1)N(C(C2=CC(=C(C=C2)OC)OC)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4)C 1 3.352 3 7 0 -22.5610435438588 3215455 COC1=C(C=C(C=C1)C(C(=O)NCC2CCCO2)N(C3=CC=CC=C3)C(=O)CNC(=O)C4=CC=CO4)OC 1 2.38 3 7 0 -22.7083920854132 3215454 CCOC(=O)C1=CC=C(C=C1)N(C(C2=CC(=C(C=C2)OC)OC)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 2.584 3 9 0 -26.4601617304626 3215453 COC1=C(C=C(C=C1)C(C(=O)NCC2CCCO2)N(C3=CC=C(C=C3)C(=O)OC)C(=O)CNC(=O)C4=CC=CO4)OC 1 2.235 3 9 0 -25.0252016870032 3215450 COC1=C(C=C(C=C1)C(C(=O)NCC2CCCO2)N(CC3=CC=CC=C3)C(=O)CNC(=O)C4=CC=CO4)OC 1 2.387 3 7 0 -22.5926989347402 3215449 COC1=CC=C(C=C1)CN(C(C2=CC(=C(C=C2)OC)OC)C(=O)NCC3CCCO3)C(=O)CNC(=O)C4=CC=CO4 1 2.37 3 8 0 -21.9246831636705 3215448 COC1=C(C=C(C=C1)C(C(=O)NCC2CCCO2)N(CC3=CC=CC=C3OC)C(=O)CNC(=O)C4=CC=CO4)OC 1 2.37 3 8 0 -22.3811547412395 3215447 COC1=C(C=C(C=C1)C(C(=O)NCC2CCCO2)N(CC3=CC=C(C=C3)F)C(=O)CNC(=O)C4=CC=CO4)OC 1 2.592 3 7 0 -20.9686127779706 3215427 CC1=C(SC(=N1)C)C(=O)N(C2=CC=C(C=C2)OC)C(C3=CC=C(C=C3)OC)C(=O)NC4CCCCC4 1 4.715 3 4 0 -13.0580108657104 3215410 CC1=C(SC(=N1)C)C(=O)N(C2=CC=C(C=C2)C(=O)C)C(C3=CC=C(C=C3)OC)C(=O)NC4CCCCC4 1 4.471 3 4 0 -15.9463744542895 3215408 CC1=CC=CC=C1N(C(C2=CC=C(C=C2)OC)C(=O)NC3CCCCC3)C(=O)C4=C(N=C(S4)C)C 1 5.217 3 3 -15.3954074814403 3215401 CC1=C(SC(=N1)C)C(=O)N(C2=CC=CC=C2)C(C3=CC=C(C=C3)OC)C(=O)NC4CCCCC4 1 4.731 3 3 -12.7338920118406 3215380 CC1=CC=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NCC3=CC=CO3)C(=O)C4=C(N=C(S4)C)C 1 4.141 3 3 -15.0348684517455 3215367 CC1=CC(=CC=C1)N(C(C2=CC=CC=C2)C(=O)NCC3=CC=CO3)C(=O)C4=C(N=C(S4)C)C 1 4.141 3 3 -14.1653109469896 3215363 CC1=C(C=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NCC3=CC=CO3)C(=O)C4=C(N=C(S4)C)C)C 1 4.627 3 3 -14.5907453519291 3215362 CC1=CC(=CC(=C1)N(C(C2=CC=CC=C2)C(=O)NCC3=CC=CO3)C(=O)C4=C(N=C(S4)C)C)C 1 4.627 3 3 -15.347276320842 3215357 CC1=C(SC(=N1)C)C(=O)N(C2=CC(=CC=C2)OC)C(C3=CC=CC=C3)C(=O)NCC4CCCO4 1 3.232 3 4 0 -16.7290162304563 3215354 CC1=C(SC(=N1)C)C(=O)N(C2=CC=C(C=C2)F)C(C3=CC=CC=C3)C(=O)NCC4CCCO4 1 3.453 3 3 -16.4628981153482 3215353 CC1=C(SC(=N1)C)C(=O)N(C2=CC=CC=C2F)C(C3=CC=CC=C3)C(=O)NCC4CCCO4 1 3.453 3 3 -19.5722516589698 3215350 CC1=CC(=CC=C1)N(C(C2=CC=CC=C2)C(=O)NCC3CCCO3)C(=O)C4=C(N=C(S4)C)C 1 3.734 3 3 -16.4935142303914 3215310 CCC(C)(C)NC(=O)C(C1=CC=CO1)N(C2=CN=CC=C2)C(=O)CNC(=O)C3=CC=CS3 1 2.312 4 4 0 -21.5856063122184 3215288 COCCNCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31 1 2.36 2 2 0.443816091867023 3215268 C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)CC4=CSC=C4 1 5.154 2 2 -14.6232521855306 3215244 C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)F)N(C3=CC=C(C=C3)F)C(=O)CC4=CSC=C4 1 5.565 2 2 -12.1267566464317 3215240 CC1=CC=CC=C1N(C(C2=CC=C(C=C2)F)C(=O)NC3CCCCC3)C(=O)CC4=CSC=C4 1 5.846 2 2 -14.2758566678278 3215236 CC1=C(C(=CC=C1)C)N(C(C2=CC=C(C=C2)F)C(=O)NC3CCCCC3)C(=O)CC4=CSC=C4 1 6.332 2 2 -10.9817118760002 3215186 CC1=CC=CC2=CC(=C(N=C12)Cl)CN(CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)F 1 6.162 2 1 -2.53580904067833 3215031 COCCN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=CC=CO3 1 2.311 4 3 0 -17.7722029193546 3215024 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)C3CC3 1 3.151 4 1 -13.8534048485848 3215023 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)C3CC3 1 2.692 4 1 -13.1421920945457 3215022 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)C)C3CC3 1 2.227 4 2 -17.5687516508076 3215014 CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3CC3 1 3.09 3 2 -9.05034868320968 3215013 CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)C4CC4 1 2.543 3 3 -11.6292943193808 3215009 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3CC3 1 2.342 4 3 0 -17.5679851462316 3215008 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3CC3 1 1.878 4 2 0 -16.8602607684711 3215002 CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3C)C4CC4 1 2.796 4 1 -15.0314038695543 3215001 C1CC(OC1)CN2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Cl)C4CC4 1 3.161 4 2 -20.0959918957201 3214999 C1CC(OC1)CN2C(=NN=C2SCC(=O)NC3=CC=CC=C3Cl)C4CC4 1 3.161 4 2 -22.8441968809994 3214998 C1CC(OC1)CN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Cl)C4CC4 1 3.161 4 2 -21.0228624618387 3214996 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4CC4)C 1 3.469 4 2 -23.0927759670656 3214995 CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4CC4)C 1 3.469 4 2 -21.8386018805195 3214994 CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4CC4)C 1 3.469 4 2 -23.3090590682737 3214993 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4CC4 1 3.469 4 2 -24.6235028361206 3214991 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4CC4)C 1 3.469 4 2 -25.6072022494046 3214990 CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3CCCO3)C4CC4 1 3.439 4 2 -24.9651628259494 3214989 CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4CC4 1 3.439 4 2 -23.0842992882046 3214988 CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3CCCO3)C4CC4 1 2.983 4 2 -25.4095539284178 3214987 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4CC4 1 2.983 4 2 -20.9572155990964 3214965 CC1=NC(=CC=C1)NC(=O)CSC2=NN=C(N2CCOC)C3=CC=CO3 1 1.98 5 3 0 -16.1170393450825 3214962 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CCOC)C3=CC=CO3 1 2.049 4 4 0 -20.146360732113 3214961 COCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)C3=CC=CO3 1 2.292 4 4 0 -19.8920143264869 3214924 CCCN1C(=NN=C1SCC(=O)N2C(CC3=CC=CC=C32)C)C4=CC=CO4 1 3.97 4 2 -13.5985537224807 3214921 CC1=NC(=CC=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=CO4 1 2.469 5 3 0 -19.2363509994969 3214870 COC1=CC2=C(C=C1)C=C(C3=NN=NN23)C(C4=NN=NN4C5CCCC5)N6CCCCCC6 1 3.013 9 1 0 -19.6411638891879 3214867 COC1=CC2=C(C=C1)C=C(C3=NN=NN23)C(C4=NN=NN4C5CCCC5)N6CCOCC6 1 1.327 9 2 0 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0 -25.0243132463951 3214821 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3)C(=O)NC4=CC=CC=C4 1 1.225 6 3 0 -23.2541994522115 3214819 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3)C(=O)NCC4=CC=C(C=C4)F 1 1.438 6 3 0 -29.637878708401 3214818 CCOCCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 -7.1e-002 6 4 0 -36.5561981282117 3214817 CC1CCCCC1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4 1 1.826 6 3 0 -30.9909944915774 3214816 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3)C(=O)NC4=CC=C(C=C4)F 1 1.431 6 3 0 -22.3856682883729 3214815 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3)C(=O)NCC4=CC=CC=C4 1 1.232 6 3 0 -31.1645706386459 3214813 CC(C)CCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.229 6 3 0 -35.2547319403081 3214812 CC(C)(C)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 0.58 6 3 0 -31.7175992940477 3214781 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CO3)Cl 1 2.678 2 4 -20.2115867106231 3214769 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCC3)Cl 1 3.314 2 3 -15.8920747171868 3214767 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CC3 1 1.066 3 5 0 -23.9138523726075 3214763 CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CC3 1 0.368 3 5 0 -19.4719632217755 3214748 CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCC3 1 1.281 3 5 0 -19.0124572294732 3214739 CCC1=NN=C(S1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC 1 1.724 4 4 0 -20.1698101686534 3214736 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)OCCO4 1 2.108 2 6 0 -15.9087387207832 3214730 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.097 2 6 0 -20.4543323592062 3214729 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)F 1 2.534 2 4 -18.0472013965158 3214725 CCC1=NN=C(S1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3 1 1.74 4 3 0 -20.6528535987455 3214708 CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C)C 1 0.958 5 4 0 -24.940186216879 3214692 CC1CCCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4 1 1.014 6 3 0 -28.7847499529813 3214690 CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 0.417 6 3 0 -30.2966960562255 3214686 C=CCN(CC=C)C(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 0.953 6 3 0 -34.8662193068396 3214678 CCOCCCN(CCC#N)C(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 -2.1e-002 7 4 0 -36.2479246389181 3214676 C1COCCN1S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 1.129 2 5 0 -16.6596511161013 3214675 CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N3CCOCC3 1 1.046 2 5 0 -21.1247602813102 3214673 CCN1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 5.7e-002 3 5 0 -18.5433565205958 3214671 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)S(=O)(=O)N2CCCCC2 1 1.678 2 4 0 -22.2221910463604 3214668 CCCCC(=O)NC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)F 1 4.526 3 1 -4.51968652528752 3214663 C1CN(CCN1C2=CC=C(C=C2)F)C3=CC=CC=C3NC(=O)C45CC6CC(C4)CC(C6)C5 1 5.503 3 1 0.251629068728508 3214644 CCCN1C(=NN=C1SCC(=O)N2CCCC(C2)C)C3=CC=CC=N3 1 3.061 5 1 -15.0581532798808 3214643 CCCN1C(=NN=C1SCC(=O)N2C(CCC3=C2C=CC(=C3)F)C)C4=CC=CC=N4 1 4.515 5 1 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CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3COCCO3)C(=O)C4=CC=C(C=C4)C 1 2.614 2 5 0 -18.7533305699373 3214316 CC1=CC(=CC=C1)NC(=O)N(CC2COCCO2)CC3=CC4=CC(=CC(=C4NC3=O)C)C 1 3.162 3 4 0 -12.0828240816794 3214300 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N(C2=CC=CC=C2)C(C3=CC=CO3)C(=O)NCC4=CC=CC=C4 1 3.826 3 5 0 -17.5344414577542 3214295 CC1=CC=C(O1)C(C(=O)NCC2=CC=CC=C2)N(C3=CC(=CC(=C3)C)C)C(=O)CNS(=O)(=O)C4=CC=CC=C4 1 4.458 3 5 0 -15.8678085614893 3214291 COCCNC(=O)C(C1=CN=CC=C1)N(CC=C)C(=O)CNS(=O)(=O)C2=CC=CC=C2 1 0.12 4 5 0 -26.9492638959027 3214286 CC1=CC=CC=C1N(C(C2=CC=CO2)C(=O)NCC3=CC=C(C=C3)OC)C(=O)CNS(=O)(=O)C4=CC=CC=C4 1 3.81 3 6 0 -20.377202811585 3214282 CCOC1=CC(=C(C=C1NC(=O)C)OCC)NC(=S)NCC2=CC=CO2 1 3.062 3 4 0 -15.9226535540282 3214281 CCOC(=O)C1=CN=C(N=C1N)SSC2=NC=C(C(=N2)N)C(=O)OCC 1 2.017 6 4 0 -4.42629856063462 3214251 COCCN1C2=C(C=CC=N2)N=C1SCC(=O)NC3CCCC3 1 2.014 4 2 -20.9152250050105 3214245 CC1CC2=CC=CC=C2N1C(=O)CSC3=NC4=C(N3CCOC)N=CC=C4 1 2.847 4 2 -19.7443843081127 3214235 COC1=CC=CC=C1N2C3=C(C=CC=N3)N=C2SCC(=O)N4CCOCC4 1 2.197 4 3 0 -15.7179075898037 3214232 CC(C)OC(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)N=CC=C2 1 3.677 3 3 -14.4320237079125 3214227 CC(C)OC(=O)CSC1=NC2=C(N1C3=CC=C(C=C3)F)N=CC=C2 1 3.898 3 2 -10.2518707525415 3214226 CCN1C2=C(C=CC=N2)N=C1SCC(=O)NC3=NC(=C(S3)C)C 1 2.093 5 1 -13.5371820505246 3214225 CCN1C2=C(C=CC=N2)N=C1SCC(=O)NCC(=O)OCC 1 1.147 4 3 0 -19.9257067231372 3214223 CCN1C2=C(C=CC=N2)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC 1 2.524 4 3 0 -15.0447466455098 3214218 CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=C(N2C)N=CC=C3)C 1 2.095 5 3 0 -17.9992568353108 3214217 CC1=C(SC(=N1)NC(=O)CSC2=NC3=C(N2C)N=CC=C3)C(=O)OC 1 1.746 5 3 0 -16.1767022214073 3214203 CN1C2=C(C=CC=N2)N=C1SCC(=O)N3CCCC3 1 1.41 4 1 0 -11.4783458686273 3214200 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)N=CC=C3 1 2.524 4 3 0 -14.9146965733142 3214199 CN1C2=C(C=CC=N2)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC 1 2.175 4 3 0 -13.5774664301292 3214198 CN1C2=C(C=CC=N2)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC 1 2.175 4 3 0 -17.6970421048215 3214193 CN1C2=C(C=CC=N2)N=C1SCC(=O)NC3=CC=C(C=C3)OC 1 2.303 4 2 -10.9052558739012 3214190 CN1C2=C(C=CC=N2)N=C1SCC(=O)C3=CC=C(C=C3)OC 1 2.922 3 2 -5.63083695858428 3214186 CN1C2=C(C=CC=N2)N=C1SCC(=O)N3CCCC4=CC=CC=C43 1 3.056 4 1 -13.2600764898924 3214183 CN1C2=C(C=CC=N2)N=C1SCC(=O)C3=CC(=CC=C3)OC 1 2.922 3 2 -6.29165832026 3214182 CCOC(=O)CSC1=NC2=C(N1C)N=CC=C2 1 1.739 3 2 0 -12.1120888584902 3214173 CCC1=NN=C(S1)NC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)N=CC=C3 1 3.304 6 1 0 -22.705903147082 3214172 C1CCN(C1)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)N=CC=C3 1 2.993 4 1 -15.5109137750764 3214164 C1CCC(CC1)NC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)N=CC=C3 1 4.185 4 1 -18.0333866406766 3214163 C1CN(C2=CC=CC=C21)C(=O)CSC3=NC4=C(N3CC5=CC=CC=C5)N=CC=C4 1 4.183 4 1 -18.8930334937373 3214097 C1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2SN=C3C4=CC=C(C=C4)Cl 1 5.639 3 1 0.482936973796929 3214093 C=CCN1C(=O)CN=C1NC2=CC=CC=C2 1 1.499 3 1 0 -5.32653091760478 3214092 C=CCN1C(=O)CN=C1NC2=CC=C(C=C2)F 1 1.705 3 1 0 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CC1=C(C=CO1)C2=NN=C(N2C3=CC(=CC=C3)OC)SCC(=O)NC4=NC=CS4 1 2.851 5 3 0 -13.3528219110249 3213976 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CCCN(C)C)C3=C(OC=C3)C)Cl 1 3.645 5 2 0 -13.5416445511324 3213937 CCC(C)NC(=O)CSC1=NN=C(N1CC2CCCO2)C3=C(OC=C3)C 1 2.326 4 3 0 -29.2400961864137 3213911 CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3OC 1 2.277 4 3 0 -15.2288072384618 3213910 CC1=C(C=CO1)C2=NN=C(N2CC3CCCO3)SCC(=O)NC4=CC=CC=C4OC 1 2.636 4 4 0 -24.7614709170186 3213890 CC1=C(C=CO1)C2=NN=C(N2CCOC)SCC(=O)NC3=NN=C(S3)C 1 0.897 6 3 0 -24.6833422687354 3213877 CC1=C(C=CO1)C2=NN=C(N2CCCOC)SCC(=O)NC3=NC4=CC=CC=C4S3 1 2.851 5 3 0 -15.6273984889389 3213876 CC1=C(C=CO1)C2=NN=C(N2CCOC)SCC(=O)NC3=NC4=CC=CC=C4S3 1 2.788 5 3 0 -15.7657580213679 3213870 CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2C(C)C3=CC=CC=C3)C4=C(OC=C4)C 1 3.534 5 2 0 -14.2637098775851 3213865 CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=C(OC=C4)C 1 3.134 5 3 0 -12.8674966175455 3213860 CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C)C3=C(OC=C3)C 1 1.922 5 2 0 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2 -11.8537466292799 3213597 CC1=C(C=CO1)C2=NN=C(N2CC(C)C)SCC(=O)N3CCOCC3 1 1.802 4 3 0 -18.5979443379064 3213586 CCCCN1C(=NN=C1SCC(=O)N2CCOCC2)C3=C(OC=C3)C 1 1.939 4 3 0 -19.1412751763921 3213583 CC1=C(C=CO1)C2=NN=C(N2CCOC)SCC(=O)N3CCCC4=CC=CC=C43 1 2.9 4 3 0 -20.7808371136593 3213582 CCN1C(=NN=C1SCC(=O)N2CCCC3=CC=CC=C32)C4=C(OC=C4)C 1 3.379 4 2 -15.0654381544282 3213547 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CNCCOC 1 1.663 2 4 0 -18.273710285104 3213532 CC(C)N1C(=NN=N1)C(C2=CC3=C(C=C2)N=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)OC 1 3.651 7 1 0 -6.47919880798261 3213524 CC(=O)NC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CO4 1 1.737 7 4 0 -25.8528015796018 3213522 CC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CO4 1 2.356 6 4 0 -26.1069822090763 3213512 CC1=CC=C(C=C1)NC(=O)N(CC2=CC=CS2)CC3=CC4=CC5=C(C=C4NC3=O)OCO5 1 3.696 3 4 0 -7.9700804209279 3213479 CC(C)C(C1=NN=NN1CCC2=CC=CC=C2)N3CCSCC3 1 3.071 5 0 -13.4740429394441 3213475 CC1CCN(CC1)C(C2=NN=NN2CCC3=CC=CC=C3)C(C)C 1 3.808 5 0 -17.1567069650944 3213471 C1CSCCN1C(C2=CC=C(C=C2)Cl)C3=NN=NN3CCC4=CC=CC=C4 1 4.127 5 0 -12.0723417388343 3213460 C1CN(CC=C1C2=CC=C(C=C2)F)C(C3=CC=CS3)C4=NN=NN4CCC5=CC=CC=C5 1 5.275 5 0 -13.6628265403854 3213453 C1CC2=CC=CC=C2N(C1)C(C3=CC=C(C=C3)F)C4=NN=NN4CCC5=CC=CC=C5 1 5.439 5 0 -16.3018054938376 3213420 COCCNC(=O)CN(C1=CC=C(C=C1)Cl)C(=O)C2=CN=C(C=C2)N3CCCC3 1 1.805 4 3 0 -12.3213291039961 3213409 CC1=CC(=CC=C1)N(CC(=O)NC(C)C)C(=O)C2=CN=C(C=C2)N3CCCC3 1 2.484 4 2 -13.0753500915206 3213405 COCCNC(=O)CN(C1=CC=CC=C1)C(=O)C2=CN=C(C=C2)N3CCCC3 1 1.141 4 3 0 -14.6455278829307 3213399 CCN1CCN(CC1)C2=C(C=C3C(=C2)N=C(N(C3=O)CC4=CC=CC=C4)C)NC(=O)C5=CC=CC=C5F 1 4.077 5 2 0 -7.39894174525458 3213372 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2OC)CC3=NC(=O)C4=CC=CC=C4N3 1 3.515 3 4 0 -11.3132958837919 3213367 C1=CC=C2C(=C1)C(=O)N=C(N2)CN(CC3=CC=CS3)C(=O)CCCl 1 2.199 3 2 -13.2465943112359 3213360 CCCCC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=NC(=O)C4=CC=CC=C4N3 1 3.025 3 4 0 -16.191745566595 3213348 CC(C)C(=O)N(CC1=CC=C(C=C1)F)CC2=NC(=O)C3=CC=CC=C3N2 1 3.013 3 2 -7.77718779808082 3213331 C1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)F)CC3=NC(=O)C4=CC=CC=C4N3 1 3.548 3 2 -10.3099077370311 3213325 CCCCC(=O)N(CC1=NC2=C(C(=C(S2)C)C)C(=O)N1)C3CCCC3 1 3.494 3 2 -14.8514775444584 3213301 CC1=CC2=CC(=C(N=C2C=C1)NCCNC(=O)C3=CC=NC=C3)C 1 3.042 4 1 -3.62836444175946 3213295 CCOC1=CC2=CC(=C(N=C2C=C1)NCCNC(=O)C(C)(C)C)C 1 3.921 3 2 -7.84352256953149 3213234 CC1=CC2=CC3=C(N=C2C=C1)SC(=NCCOC)N(C3)CC4=CC=CO4 1 4.217 3 2 -3.20525380802624 3213232 CC1=CC2=CC3=C(N=C2C=C1)SC(=NCCOC)N(C3)CC4=CC=CS4 1 4.775 3 1 -3.7055510395147 3213217 CC1=CC=CC2=CC3=C(N=C12)SC(=NCCOC)N(C3)CC4=CC=CO4 1 4.217 3 2 -5.26700825618048 3213183 CC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2SN=C3C4=CC=C(C=C4)Cl 1 6.126 3 1 1.27858454130628 3213166 CCCCC(=O)NC1=CN=C(C=C1C)NC(=O)C2=CC=CO2 1 2.584 3 3 -10.0914591233338 3213164 CCCCC(=O)NC1=NC=C(C=C1)NC(=O)C2=NC=CN=C2 1 0.83 5 2 0 -15.4135584259079 3213152 CCCCC(=O)NC1=NC=C(C(=C1)C)NC(=O)C2=CC=CS2 1 3.142 3 2 -11.8199400416219 3213151 CCCCC(=O)NC1=NC=C(C=C1)NC(=O)C2=CC=CS2 1 2.656 3 2 -12.6482268397181 3213150 CCCCC(=O)NC1=NC=C(C(=C1)C)NC(=O)C2=CC=CO2 1 2.584 3 3 -10.28613801909 3213149 CCCCC(=O)NC1=NC=C(C=C1)NC(=O)C2=CC=CO2 1 2.098 3 3 -11.1144248171863 3213142 CC1=CC(=C(C=C1)C)N2C(C(=O)N(CC2=O)CCOC)C3=CC=C(C=C3)N(C)C 1 2.83 3 3 -11.0323688761934 3213141 CC1=CC(=C(C=C1)N2C(C(=O)N(CC2=O)CCOC)C3=CC=C(C=C3)N(C)C)C 1 2.83 3 3 -9.82151631134109 3213139 CC1=CC=CC=C1N2C(C(=O)N(CC2=O)C(C)(C)C)C3=CC=C(C=C3)N(C)C 1 3.406 3 2 -8.99736814258313 3213137 CC1=CC=CC=C1N2C(C(=O)N(CC2=O)C(C)(C)C)C3=CC=C(C=C3)F 1 3.449 2 2 -5.62420473850522 3213039 CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCO)C(C)C3=NN=NN3CC4=CC=CO4 1 1.632 6 3 0 -15.1655353689414 3213030 COCCN1C(=NN=N1)CN(CC2=CC=CO2)CC3=CC4=CC5=C(C=C4NC3=O)OCO5 1 0.775 6 5 0 -27.2840768331794 3213011 CC(C)C1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4 1 0.954 8 3 0 -30.0743133678891 3213008 C1CN(CCC1C(=O)NCC(=O)N)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 -1.632 7 4 0 -30.0329226197142 3213006 CC1CCCCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4 1 1.691 6 3 0 -31.2299800151795 3212999 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 2.136 4 5 0 -19.8497992717397 3212997 C1CN(CCC1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.985 3 3 -10.7535410947909 3212996 CC1CCCCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.788 2 4 -19.6393027032943 3212991 CCC(=O)NC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NNC(=O)C3=CC=CO3 1 0.876 7 4 0 -25.374167859131 3212990 CC(C)C(=O)NNC(=O)CSC1=NN=NN1C2=CC=CC(=C2)C(=O)C 1 0.898 6 3 0 -27.3960837061525 3212989 CC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NNC(=O)C3=CC=CO3 1 0.828 6 4 0 -26.5495082416115 3212987 COCCCN1C(=NN=N1)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 -0.303 6 4 0 -28.7707368379264 3212986 COCCCN1C(=NN=N1)SCC(=O)NC2=NC3=CC=CC=C3S2 1 1.417 6 2 0 -24.4444919104983 3212984 COCCCN1C(=NN=N1)SCC(=O)NC2=CC3=C(C=C2)OCCO3 1 0.577 5 4 0 -31.1910491230097 3212981 CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=NN3CCCOC 1 1.449 5 2 0 -28.6750040360591 3212980 COCCCN1C(=NN=N1)SCC(=O)N2CCCC2 1 -0.118 5 2 0 -27.8506685250677 3212978 COCCN1C(=NN=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3 1 0.504 5 4 0 -30.6095274441465 3212977 COCCN1C(=NN=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3 1 0.497 5 4 0 -27.9957794468337 3212971 CC1=C(SC(=C1C#N)NC(=O)CSC2=NN=NN2C(C)C)C 1 1.883 6 1 0 -27.0418104252644 3212970 CC(C)C(=O)NNC(=O)CSC1=NN=NN1C(C)C 1 0.308 6 2 0 -23.6106188331566 3212969 CC(C)N1C(=NN=N1)SCC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.372 5 3 0 -23.2446983543231 3212968 CC(C)N1C(=NN=N1)SCC(=O)NCCC2=CC=CC=C2 1 1.914 5 1 0 -22.9411526537561 3212967 CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=NN3C(C)C 1 2.244 5 1 -20.7286532673725 3212965 CC(C)N1C(=NN=N1)SCC(=O)C2=CC3=C(C=C2)OCCO3 1 1.991 4 3 0 -17.3265437171991 3212961 CCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NNC(=O)C3=CC=CO3 1 2.031 6 3 0 -23.0742638465939 3212955 CCCCN1C(=NN=N1)SCC(=O)C2=C(C=CC(=C2)Cl)OC 1 3.456 4 2 -18.985779211719 3212954 CCCCN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)N(C)C 1 2.351 6 1 0 -27.7108338087503 3212952 CCCCN1C(=NN=N1)SCC(=O)NCC2=CC=CO2 1 1.377 5 2 0 -31.0780977300297 3212951 CCCCN1C(=NN=N1)SCC(=O)NNC(=O)C2=CC=CO2 1 0.84 6 3 0 -27.9830308847244 3212950 CCCCN1C(=NN=N1)SCC(=O)NNC(=O)C2CCCCC2 1 1.907 6 2 0 -26.7102655447658 3212944 CCCCN1C(=NN=N1)SCC(=O)NC2=CC=CC(=C2)C 1 2.675 5 1 -23.1619018768085 3212943 CCCCN1C(=NN=N1)SCC(=O)NCC2=CC=CC=C2 1 2.195 5 1 -29.7394259602668 3212942 CCCCN1C(=NN=N1)SCC(=O)N2CCOCC2 1 0.505 5 2 0 -28.0338025149696 3212940 CCCCN1C(=NN=N1)SCC(=O)N2CCCC2 1 1.279 5 1 0 -26.111037551026 3212939 CCCCN1C(=NN=N1)SCC(=O)NC2CCCCC2 1 2.47 5 1 -28.6335104166261 3212938 CCCCN1C(=NN=N1)SCC(=O)N(CC)CC 1 1.515 5 1 0 -29.3869211127042 3212937 CCCCN1C(=NN=N1)SCC(=O)C2=CC=CC=C2F 1 3.013 4 1 -21.0383003128517 3212935 CCCN1C(=NN=N1)SCC(=O)NC2=C(C(=C(S2)C)C)C#N 1 2.029 6 1 0 -30.2561663682458 3212929 CCCN1C(=NN=N1)SCC(=O)N2C(CCCC2C)C 1 2.034 5 1 -24.1993645475925 3212924 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CC1=C(C(=CC=C1)N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)NC3=NOC(=C3)C)C 1 1.686 4 5 0 -31.0241580329241 3210824 CC1=CC=C(C=C1)N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)NC3=NOC(=C3)C 1 1.199 4 5 0 -30.2216345692794 3210823 CC1=CC=CC=C1N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)NC3=NOC(=C3)C 1 1.199 4 5 0 -33.8047700684534 3210822 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)C3=CC=CC=C3 1 0.713 4 5 0 -30.5355380632934 3210817 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC=C(C=C2)F)CC(=O)NCC3CCCO3 1 0.926 4 5 0 -32.7754168061231 3210815 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)C3=CC(=C(C=C3)F)Cl 1 1.583 4 5 0 -29.8133896054708 3210813 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)C3=CC4=C(C=C3)OCCO4 1 0.499 4 7 0 -32.8413623314804 3210812 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)C3=CC(=C(C=C3)OC)OC 1 0.68 4 7 0 -34.1462401146107 3210811 CCOC1=CC=CC=C1N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)NC3=NOC(=C3)C 1 1.046 4 6 0 -34.4739693494626 3210809 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)C3=CC=CC=C3OC 1 0.697 4 6 0 -33.6913277326729 3210808 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)C3=CC(=CC=C3)F 1 0.919 4 5 0 -29.2202921695974 3210807 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)C3=CC=C(C=C3)C(C)C 1 1.907 4 5 0 -29.749878278294 3210804 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC=CO2)C(C3=CC=NC=C3)C(=O)NCC4CCCO4 1 0.47 5 6 0 -31.4684887019548 3210801 CC1=CC=CC=C1C(C(=O)NCC2CCCO2)N(CCC(C)C)C(=O)CCC(=O)NC3=NOC(=C3)C 1 2.922 4 5 0 -33.2884058459361 3210796 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC(=CC=C2)OC)CC(=O)NC3CCCC3 1 1.747 4 5 0 -27.8264266116339 3210795 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)C3=CC=CC(=C3)C(=O)OC 1 1.612 4 6 0 -29.7906581561466 3210794 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)C3=CC=C(C=C3)NC(=O)C 1 0.877 5 5 0 -27.6670673669374 3210793 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)C3=CC=C(C=C3)C(=O)C 1 1.496 4 5 0 -27.9212479964118 3210792 CC1=C(C=C(C=C1)N(CC(=O)NC2CCCC2)C(=O)CCC(=O)NC3=NOC(=C3)C)F 1 2.448 4 4 0 -23.5899758256223 3210791 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)C3=CC(=C(C=C3)Cl)Cl 1 3.085 4 4 0 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CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)C3=CC(=C(C=C3)F)Cl 1 2.626 4 4 0 -23.9866170961404 3210773 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)C3=CC=C(C=C3)Cl 1 2.421 4 4 0 -22.3845667750283 3210772 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)C3=CC(=C(C=C3)OC)OC 1 1.724 4 6 0 -28.3194676052802 3210769 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)C3=CC=C(C=C3)OC 1 1.74 4 5 0 -24.6195316747593 3210768 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)C3=CC(=CC=C3)OC 1 1.74 4 5 0 -24.9761938050229 3210767 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)C3=CC(=CC=C3)F 1 1.962 4 4 0 -23.393519660267 3210766 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)C3=CC=C(C=C3)C(C)C 1 2.951 4 4 0 -23.9231057689635 3210765 CCC1=CC=C(C=C1)N(CC(=O)NC2CCCC2)C(=O)CCC(=O)NC3=NOC(=C3)C 1 2.699 4 4 0 -24.4460036013942 3210764 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC=C)C(C2=CC=C(C=C2)Cl)C(=O)NC3CCCC3 1 3.18 4 4 0 -28.1393584913974 3210760 CC1=CC(=CC=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCC3)C(=O)CCC(=O)NC4=NOC(=C4)C 1 2.811 5 4 0 -27.8930790442617 3210757 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC=CS2)C(C3=CN=CC=C3)C(=O)NC4CCCC4 1 2.072 5 4 0 -30.2914660170542 3210756 CCOC(=O)CN(C(C1=CN=CC=C1)C(=O)NC2CCCC2)C(=O)CCC(=O)NC3=NOC(=C3)C 1 0.804 5 6 0 -34.3897281200695 3210755 CC1=CC(=NO1)NC(=O)CCC(=O)N(C2=CC=C(C=C2)F)C(C3=CN=CC=C3)C(=O)NC4CCCC4 1 2.53 5 4 0 -27.7226250249969 3210754 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2CCCO2)C(C3=CN=CC=C3)C(=O)NC4CCCC4 1 1.107 5 5 0 -34.4251007388315 3210745 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC=C)C(C2=CC(=C(C=C2)OC)OC)C(=O)NC3CCCC3 1 2.483 4 6 0 -34.258012569256 3210744 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC=C)C(C2=C(C=C(C=C2)OC)OC)C(=O)NC3CCCC3 1 2.483 4 6 0 -30.7742515011137 3210743 CCCCN(C(C1=CC=C(C=C1)OCC)C(=O)NC2CCCC2)C(=O)CCC(=O)NC3=NOC(=C3)C 1 3.56 4 5 0 -27.6786413629831 3210741 CCCCN(C(C1=CC=CC=C1OCC)C(=O)NC2CCCC2)C(=O)CCC(=O)NC3=NOC(=C3)C 1 3.56 4 5 0 -28.4832497494746 3210740 CCCCN(C(C1=CC=C(C=C1)OC)C(=O)NC2CCCC2)C(=O)CCC(=O)NC3=NOC(=C3)C 1 3.211 4 5 0 -27.1307175144823 3210739 CC1=CC(=NO1)NC(=O)CCC(=O)N(CCC(C)C)C(C2=CC=C(C=C2)OC)C(=O)NC3CCCC3 1 3.463 4 5 0 -28.2686618474611 3210738 CCC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(CC=C)C(=O)CCC(=O)NC3=NOC(=C3)C 1 3.458 4 4 0 -30.2007953177633 3210737 CCC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(CCOC)C(=O)CCC(=O)NC3=NOC(=C3)C 1 2.71 4 5 0 -28.0757889012625 3210736 CC1=CC(=NO1)NC(=O)CCC(=O)N(CCOC)C(C2=CC=C(C=C2)C(C)C)C(=O)NC3CCCC3 1 2.962 4 5 0 -27.5718180216419 3210735 CC1=CC(=NO1)NC(=O)CCC(=O)N(CCOC)C(C2=CC=CC=C2F)C(=O)NC3CCCC3 1 1.974 4 5 0 -28.7497003519783 3210734 CC1=CC(=NO1)NC(=O)CCC(=O)N(C2=CC=CC=C2)C(C3=CC=CC=C3F)C(=O)NC4CCCC4 1 3.681 4 4 0 -26.113540139747 3210733 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC=CO2)C(C3=CC=CC=C3F)C(=O)NC4CCCC4 1 2.87 4 5 0 -27.70521755328 3210728 CCCCN(C(C1=CC(=CC=C1)OC)C(=O)NC2CCCC2)C(=O)CCC(=O)NC3=NOC(=C3)C 1 3.211 4 5 0 -27.7228008364654 3210727 CC1=CC(=NO1)NC(=O)CCC(=O)N(CCC(C)C)C(C2=CC(=CC=C2)OC)C(=O)NC3CCCC3 1 3.463 4 5 0 -28.8607451694442 3210673 CC1=CC(=CC(=C1)N(CC(=O)NC2CCCC2)C(=O)CCC(=O)NC3=NC(=CS3)C)C 1 2.87 4 3 0 -17.0308679950414 3210675 CCCCN(C(C1=CC=C(C=C1)F)C(=O)NC2CCCC2)C(=O)CCC(=O)NC3=NOC(=C3)C 1 3.433 4 4 0 -26.0058742798729 3210676 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC=CO2)C(C3=CC=C(C=C3)F)C(=O)NC4CCCC4 1 2.87 4 5 0 -25.9825967147951 3210677 CC1=CC(=NO1)NC(=O)CCC(=O)N(C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C(=O)NC4CCCC4 1 3.681 4 4 0 -24.1543529970109 3210678 CC1=CC=C(O1)C(C(=O)NC2CCCC2)N(C3=CC(=CC=C3)F)C(=O)CCC(=O)NC4=NOC(=C4)C 1 3.222 4 5 0 -22.3899083285828 3210679 CC1=CC=C(O1)C(C(=O)NC2CCCC2)N(CC3=CC=CC=C3)C(=O)CCC(=O)NC4=NOC(=C4)C 1 3.023 4 5 0 -25.4513970678011 3210681 CC1=CC=C(O1)C(C(=O)NC2CCCC2)N(C3=CC=C(C=C3)F)C(=O)CCC(=O)NC4=NOC(=C4)C 1 3.222 4 5 0 -23.6640206805339 3210684 CC1=CC(=CC=C1)N(C(C2=CC=C(O2)C)C(=O)NC3CCCC3)C(=O)CCC(=O)NC4=NOC(=C4)C 1 3.502 4 5 0 -23.737080473274 3210685 CCC1=CC=C(C=C1)N(C(C2=CC=CO2)C(=O)NC3CCCC3)C(=O)CCC(=O)NC4=NOC(=C4)C 1 3.813 4 5 0 -27.0537267502607 3210688 CC1=CC(=NO1)NC(=O)CCC(=O)N(C2=CC=C(C=C2)OC)C(C3=CC=CO3)C(=O)NC4CCCC4 1 2.854 4 6 0 -27.2272548236257 3210689 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC=CC=C2)C(C3=CC=CO3)C(=O)NC4CCCC4 1 2.878 4 5 0 -27.9871822028084 3210690 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC=C(C=C2)F)C(C3=CC=CO3)C(=O)NC4CCCC4 1 3.083 4 5 0 -26.3630960460387 3210693 CC1=CC(=CC(=C1)N(C(C2=CC=CO2)C(=O)NC3CCCC3)C(=O)CCC(=O)NC4=NOC(=C4)C)C 1 3.843 4 5 0 -27.4548309821336 3210694 CC1=C(C=C(C=C1)N(C(C2=CC=CO2)C(=O)NC3CCCC3)C(=O)CCC(=O)NC4=NOC(=C4)C)F 1 3.562 4 5 0 -25.0247554024206 3210726 CC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(CC=C)C(=O)CCC(=O)NC3=NOC(=C3)C 1 3.002 4 4 0 -30.149653776318 3210725 CC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(CCOC)C(=O)CCC(=O)NC3=NOC(=C3)C 1 2.254 4 5 0 -28.0246473598172 3210724 CC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(C3=CC=CC=C3)C(=O)CCC(=O)NC4=NOC(=C4)C 1 3.962 4 4 0 -25.0545266168099 3210723 CC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(CC3=CC=CO3)C(=O)CCC(=O)NC4=NOC(=C4)C 1 3.15 4 5 0 -26.8827703345942 3210718 CC1=CC=CC=C1C(C(=O)NC2CCCC2)N(CCOC)C(=O)CCC(=O)NC3=NOC(=C3)C 1 2.254 4 5 0 -29.3742489379248 3210717 CC1=CC=CC=C1C(C(=O)NC2CCCC2)N(C3=CC=CC=C3)C(=O)CCC(=O)NC4=NOC(=C4)C 1 3.962 4 4 0 -26.7380887256935 3210716 CC1=CC=CC=C1C(C(=O)NC2CCCC2)N(CC3=CC=CO3)C(=O)CCC(=O)NC4=NOC(=C4)C 1 3.15 4 5 0 -28.3297661392265 3210714 CCCCN(C(C1=CC=CC=C1C)C(=O)NC2CCCC2)C(=O)CCC(=O)NC3=NOC(=C3)C 1 3.714 4 4 0 -28.2556494777795 3210713 CC1=CC=CC=C1C(C(=O)NC2CCCC2)N(CCC(C)C)C(=O)CCC(=O)NC3=NOC(=C3)C 1 3.966 4 4 0 -29.3935938107584 3210710 CC1=CC=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NC3CCCC3)C(=O)CCC(=O)NC4=NOC(=C4)C 1 3.962 4 4 0 -26.3680324339173 3210709 CC1=CC(=CC=C1)N(C(C2=CC=CC=C2)C(=O)NC3CCCC3)C(=O)CCC(=O)NC4=NOC(=C4)C 1 3.962 4 4 0 -25.6383128333831 3210708 CC1=CC=CC=C1N(C(C2=CC=CC=C2)C(=O)NC3CCCC3)C(=O)CCC(=O)NC4=NOC(=C4)C 1 3.962 4 4 0 -29.5118643945434 3210707 CC1=CC(=NO1)NC(=O)CCC(=O)N(C2=CC=CC=C2)C(C3=CC=CC=C3)C(=O)NC4CCCC4 1 3.476 4 4 0 -26.9749673899795 3210706 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC=CO2)C(C3=CC=CC=C3)C(=O)NC4CCCC4 1 2.664 4 5 0 -28.6075738722403 3210705 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC=CS2)C(C3=CC=CC=C3)C(=O)NC4CCCC4 1 3.222 4 4 0 -28.0366998061756 3210703 CC1=CC(=NO1)NC(=O)CCC(=O)N(C2=CC=C(C=C2)F)C(C3=CC=CC=C3)C(=O)NC4CCCC4 1 3.681 4 4 0 -25.4678588141182 3210698 CC1=CC(=NO1)NC(=O)CCC(=O)N(C2=CC(=CC=C2)F)C(C3=CC=CC=C3)C(=O)NC4CCCC4 1 3.681 4 4 0 -24.2911406886919 3210697 CC1=CC(=NO1)NC(=O)CCC(=O)N(C2=CC=CC=C2F)C(C3=CC=CC=C3)C(=O)NC4CCCC4 1 3.681 4 4 0 -28.5772123577398 3210696 CC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)CCC(=O)NC4=NOC(=C4)C 1 3.915 4 4 0 -24.8297407370272 3210671 CC1=CC=C(C=C1)N(CC(=O)NC2CCCC2)C(=O)CCC(=O)NC3=NC(=CS3)C 1 2.384 4 3 0 -16.4671681643342 3210670 CC1=CC(=CC=C1)N(CC(=O)NC2CCCC2)C(=O)CCC(=O)NC3=NC(=CS3)C 1 2.384 4 3 0 -16.6731600051216 3210669 CC1=CSC(=N1)NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)C3=CC=CC=C3 1 1.898 4 3 0 -16.7810716583481 3210666 CC1=CSC(=N1)NC(=O)CCC(=O)N(CC2=CC=C(C=C2)OC)CC(=O)NC3CCCC3 1 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CCCC(C1=NN=NN1CS(=O)(=O)C2=CC=C(C=C2)C)N3CCC(CC3)C(=O)N 1 1.988 6 3 0 -23.3336873507217 3210357 CC(C)CCN1C(=NN=N1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.14 6 0 -22.851331597058 3210353 CC(C)CCN1C(=NN=N1)C(C(C)C)N2CCC(CC2)C(=O)N 1 1.789 6 1 0 -16.3821727524567 3210291 C1CN(CCN1C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=NN=NN4CC5=CC=CS5 1 4.284 6 0 -11.8513172317275 3210250 CC(C)CC(C1=NN=NN1CC2=CC=CS2)N3CCN(CC3)C4=NC5=CC=CC=C5S4 1 4.081 7 0 0 -14.7816696488801 3210233 CC(C)C(C1=NN=NN1CC2=CC=CS2)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.334 6 2 0 -19.1060366708328 3210215 CCC(C1=NN=NN1CC2=CC=CS2)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.015 6 2 0 -22.3568741891117 3210180 CC(C)CC(C1=NN=NN1CC2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)N 1 1.949 6 3 0 -21.7706472015923 3210158 CCCC(C1=NN=NN1CC2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)N 1 1.697 6 3 0 -22.1884482936232 3210102 CC1=C(C(=CC=C1)N2CCN(CC2)C(C3=CC=CC=C3OC)C4=NN=NN4CC5=CC=CO5)C 1 4.476 6 2 0 -11.0487946024869 3210068 C1CN(CCN1C2=NC3=CC=CC=C3S2)C(C4=CC=CC=C4)C5=NN=NN5CC6=CC=CO6 1 3.526 7 1 0 -12.0047301830159 3210051 CC(C)C(C1=NN=NN1CC2=CC=CO2)N3CCC(CC3)C(=O)N 1 0.974 6 2 0 -15.5347222714549 3210043 CCCC(C1=NN=NN1CC2=CC=CO2)N3CCN(CC3)CC=C 1 2.21 6 1 0 -21.959927044185 3210027 COC1=CC=C(C=C1)CN2C(=NN=N2)C(C3=CC=CC=C3Cl)N4CCC(CC4)C(=O)N 1 2.831 6 2 0 -16.5807986431955 3209991 CN(C)C1=CC=C(C=C1)C(C2=NN=NN2CC3=CC=C(C=C3)OC)N4CCC(CC4)C(=O)N 1 2.329 7 2 0 -19.0109759554035 3209951 CC(C)CC(C1=NN=NN1CC2=CC=C(C=C2)OC)N3CCC(CC3)C(=O)N 1 2.164 6 2 0 -20.3397026064661 3209916 CCCC(C1=NN=NN1CC2=CC=C(C=C2)OC)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.714 6 3 0 -23.4603785326934 3209815 CC(C)CC(C1=NN=NN1CC2=CC=C(C=C2)F)N3CCC(CC3)C(=O)N 1 2.386 6 1 0 -19.2148593718567 3209801 CC(C)C(C1=NN=NN1CC2=CC=C(C=C2)F)N3CCN(CC3)C4CCCC4 1 3.882 6 0 -10.898560133425 3209794 CC(C)C(C1=NN=NN1CC2=CC=C(C=C2)F)N3CCN(CC3)C4=CC=C(C=C4)O 1 3.91 6 1 0 -8.40310647650258 3209786 CCCC(C1=NN=NN1CC2=CC=C(C=C2)F)N3CCN(CC3)C 1 2.617 6 0 -16.6240333528756 3209785 CCCC(C1=NN=NN1CC2=CC=C(C=C2)F)N3CCN(CC3)CC 1 2.966 6 0 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COCCN1C(=NN=N1)C(C2=CC(=C(C=C2)OC)OC)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.238 6 5 0 -24.7071879132373 3209343 COCCN1C(=NN=N1)C(C2=CC=CC=C2OC)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.255 6 4 0 -24.0271146117783 3209250 CC(C)CC(C1=NN=NN1CCOC)N2CCN(CC2)C3=CC=CC=C3 1 2.621 6 1 0 -18.4317976174281 3209259 COCCN1C(=NN=N1)CN2CCN(CC2)C(=O)C3=CC=CO3 1 -0.448 6 3 0 -23.9017227143011 3209244 CC(C)CC(C1=NN=NN1CCOC)N2CCN(CC2)C3=NC4=CC=CC=C4S3 1 2.627 7 1 0 -16.6602599794402 3209211 CCCC(C1=NN=NN1CCOC)N2CCN(CC2)C3=NC4=CC=CC=C4S3 1 2.375 7 1 0 -17.078061071471 3209197 CCC(C)(C)N1C(=NN=N1)C(C2=C(C=CC(=C2)OC)OC)N3CCC(CC3)C(=O)N 1 2.022 6 3 0 -14.2056989600123 3209195 CCC(C)(C)N1C(=NN=N1)C(C2=C(C=CC(=C2)OC)OC)N3CCN(CC3)CC4=CC=CC=C4 1 4.089 6 2 0 -10.1211404236937 3209166 CCC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2F)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.063 6 2 0 -15.6200425497474 3209145 CCC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2OC)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.841 6 3 0 -18.0066909948946 3209125 CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)OC)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.841 6 3 0 -15.6286942347209 3209105 CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)F)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.063 6 2 0 -14.5038510001115 3209101 CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 4.376 6 2 0 -9.43385709638694 3209098 CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)C)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.343 6 2 0 -15.2157280255768 3209096 CCC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2)N3CCN(CC3)C4CCCC4 1 3.94 6 0 -10.4225703780558 3209093 CCC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4 1 4.121 6 0 -10.537032022565 3209083 CCC(C)(C)N1C(=NN=N1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.015 6 0 -13.786837691734 3209044 CCC(C1=NN=NN1C(C)(C)CC)N2CCN(CC2)C3=CC=CC=C3F 1 3.705 6 0 -10.0303143053981 3208998 CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2F)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.539 6 2 0 -14.8561041893641 3208946 CCOC1=CC=C(C=C1)C(C2=NN=NN2C(C)(C)C)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.666 6 3 0 -15.6309790260456 3208932 CC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)OC)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.317 6 3 0 -14.8647558743376 3208925 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(C3=CC=C(C=C3)N(C)C)C4=NN=NN4C(C)(C)C 1 4.821 7 0 0 -10.5695284484404 3208924 CC1=C(C(=CC=C1)N2CCN(CC2)C(C3=CC=C(C=C3)N(C)C)C4=NN=NN4C(C)(C)C)C 1 4.821 7 0 0 -6.61561885482197 3208913 CC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)F)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 3.571 6 2 0 -7.95804171053841 3208886 CC1=C(C(=CC=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=NN=NN4C(C)(C)C)C 1 4.659 6 0 -5.86743260818922 3208847 CCCC(C1=NN=NN1C(C)(C)C)N2CCN(CC2)C3=CC=CC=C3 1 3.431 6 0 -11.8964638832824 3208830 CCC(C1=NN=NN1C(C)(C)C)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.622 6 2 0 -17.2823296934954 3208764 COC1=CC=C(C=C1)C(C2=NN=NN2C3CCCC3)N4CCN(CC4)C5=CC=CC=C5 1 4.141 6 1 0 -17.1087561032612 3208726 C1CCC(C1)N2C(=NN=N2)C(C3=CC=CC=C3)N4CCC(CC4)C(=O)N 1 2.002 6 1 0 -22.8416466774224 3208717 C1CCC(C1)N2C(=NN=N2)C(C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5 1 4.157 6 0 -18.8045272616204 3208711 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COC1=CC=CC(=C1)N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)NC3=CC=CC=N3 1 2.446 4 4 0 -17.6238058461181 3197400 COC1=CC=CC=C1N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)NC3=CC=CC=N3 1 2.446 4 4 0 -20.7230239391468 3197387 CC1=C(C=C(C=C1)N(C(C2=CC=C(C=C2)O)C(=O)NC3CCCC3)C(=O)CCCC(=O)NC4=CC=CC=N4)C 1 4.912 4 4 0 -14.7300884419648 3197385 CC1=CC=CC=C1N(C(C2=CC=C(C=C2)O)C(=O)NC3CCCC3)C(=O)CCCC(=O)NC4=CC=CC=N4 1 4.426 4 4 0 -18.3180435024073 3197346 COCCN(CC(=O)NC1CCCCC1)C(=O)CCCC(=O)NC2=CC=CC=N2 1 1.211 4 4 0 -23.1354794217987 3197341 COC1=CC=C(C=C1)CN(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)NC3=CC=CC=N3 1 2.909 4 4 0 -21.1180117643621 3197339 C1CCC(CC1)NC(=O)CN(CC2=CC=CC=C2)C(=O)CCCC(=O)NC3=CC=CC=N3 1 2.926 4 3 0 -21.6882734570099 3197335 CCOC1=CC=C(C=C1)N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)NC3=CC=CC=N3 1 3.251 4 4 0 -18.4302790594274 3197334 COC1=CC=C(C=C1)N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)NC3=CC=CC=N3 1 2.902 4 4 0 -17.6640559077194 3197333 COC1=CC=CC(=C1)N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)NC3=CC=CC=N3 1 2.902 4 4 0 -17.9782743602862 3197330 CC1=CC(=CC(=C1)N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)NC3=CC=CC=N3)C 1 3.891 4 3 0 -17.7393556122644 3197328 CC1=CC(=C(C=C1)N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)NC3=CC=CC=N3)C 1 3.891 4 3 0 -18.0838746345227 3197327 CC1=C(C(=CC=C1)N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)NC3=CC=CC=N3)C 1 3.891 4 3 0 -18.1510073887447 3197325 CCC1=CC=CC=C1N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)NC3=CC=CC=N3 1 3.861 4 3 0 -20.3534795986719 3197324 CC1=CC=C(C=C1)N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)NC3=CC=CC=N3 1 3.405 4 3 0 -17.2510896985752 3197323 CC1=CC(=CC=C1)N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)NC3=CC=CC=N3 1 3.405 4 3 0 -17.5544757658875 3197322 CC1=CC=CC=C1N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)NC3=CC=CC=N3 1 3.405 4 3 0 -21.0026381947616 3197306 COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CC3CCCO3)C(=O)CCCC(=O)NC4=CC=CC=N4 1 3.404 4 5 0 -23.8121190646019 3197301 COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC4=C(C=C3)OCCO4)C(=O)CCCC(=O)NC5=CC=CC=N5 1 4.407 4 6 0 -19.8426594860609 3197281 CC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CC3CCCO3)C(=O)CCCC(=O)NC4=CC=CC=N4 1 3.906 4 4 0 -23.3991528554578 3197274 CC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC4=C(C=C3)OCCO4)C(=O)CCCC(=O)NC5=CC=CC=N5 1 4.91 4 5 0 -19.4296932769168 3197213 C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)F)N(C3=CC4=C(C=C3)OCCO4)C(=O)CCCC(=O)NC5=CC=CC=N5 1 4.629 4 5 0 -18.7178162514515 3197176 C1CCC(C1)NC(=O)CN(CC2CCCO2)C(=O)C3=NSC(=C3Cl)Cl 1 2.628 3 3 -17.9033012851548 3197170 CC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(CC3=CC=C(C=C3)OC)C(=O)C4=NSC(=C4Cl)Cl 1 6.042 3 3 -8.32727045953335 3197154 COC1=CC=C(C=C1)CN(C(C2=CC=C(C=C2)OC)C(=O)NC3CCCC3)C(=O)C4=NSC(=C4Cl)Cl 1 5.539 3 4 0 -9.1535894017509 3197152 COC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(CC3=CC=CC=C3)C(=O)C4=NSC(=C4Cl)Cl 1 5.556 3 3 -9.14208536431295 3197131 CC1=CC(=CC(=C1)N(C(C2=CC=C(C=C2)O)C(=O)NC3CCCC3)C(=O)C4=NSC(=C4Cl)Cl)C 1 6.295 3 3 -6.8613415857906 3197130 CC1=C(C=C(C=C1)N(C(C2=CC=C(C=C2)O)C(=O)NC3CCCC3)C(=O)C4=NSC(=C4Cl)Cl)C 1 6.295 3 3 -6.10481061687767 3197129 CC1=CC(=C(C=C1)C)N(C(C2=CC=C(C=C2)O)C(=O)NC3CCCC3)C(=O)C4=NSC(=C4Cl)Cl 1 6.295 3 3 -6.88233287469703 3197127 CC1=C(C(=CC=C1)N(C(C2=CC=C(C=C2)O)C(=O)NC3CCCC3)C(=O)C4=NSC(=C4Cl)Cl)C 1 6.295 3 3 -7.17559913574611 3197124 CC1=CC(=CC=C1)N(C(C2=CC=C(C=C2)O)C(=O)NC3CCCC3)C(=O)C4=NSC(=C4Cl)Cl 1 5.809 3 3 -5.58198198541343 3197060 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3F 1 3.037 2 3 -19.7830899622194 3197048 CCOC(=O)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NNN=N3 1 0.152 6 5 0 -21.3438282739541 3197047 CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NNN=N3 1 0.969 6 3 0 -21.1145143805348 3197025 COC1=CC=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.38 2 4 -12.0351484039443 3197007 C1CCC(C1)NC(=O)C(C2=CC=CC=C2)N(C3CCCC3)C(=O)C4=CC=CO4 1 4.222 2 3 -11.5876339724728 3197005 CC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(C3=C(C=C(C=C3)OC)OC)C(=O)C4=CC=CO4 1 4.849 2 5 0 -11.1298494581778 3197000 CC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(C3=CC=CC=C3C(=O)C)C(=O)C4=CC=CO4 1 4.622 2 4 -15.5408618840773 3196930 COC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(C3=CC=CC=C3OC)C(=O)C4=CC=CO4 1 4.363 2 5 0 -13.5328013627144 3196927 COC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(C3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=CO4 1 4.347 2 6 0 -12.7533960864303 3196919 CC(=O)C1=CC2=C(C=C1N(C(C3=CC=C(C=C3)OC)C(=O)NC4CCCC4)C(=O)C5=CC=CO5)OCO2 1 3.888 2 7 0 -14.3849732167619 3196885 CCOCCCN(C(C1=CC=C(C=C1)OC)C(=O)NC2CCCC2)C(=O)C3=CC=CO3 1 3.083 2 5 0 -13.6312638273579 3196884 COC1=C(C=C(C=C1)C(C(=O)NC2CCCC2)N(C3=CC=CC=C3)C(=O)C4=CC=CO4)OC 1 4.363 2 5 0 -14.465493860743 3196870 COC1=CC=C(C=C1)N(C(C2=CC(=C(C=C2)OC)OC)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.347 2 6 0 -14.1100929061052 3196868 CC(=O)C1=CC2=C(C=C1N(C(C3=CC(=C(C=C3)OC)OC)C(=O)NC4CCCC4)C(=O)C5=CC=CO5)OCO2 1 3.871 2 8 0 -18.2686623948895 3196867 CC(=O)C1=CC=CC=C1N(C(C2=CC(=C(C=C2)OC)OC)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.103 2 6 0 -19.6976793671275 3196866 CC(=O)C1=CC(=CC=C1)N(C(C2=CC(=C(C=C2)OC)OC)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.103 2 6 0 -17.0441584261229 3196816 COC1=CC(=C(C=C1)OC)N(C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.314 2 8 0 -14.3418348730403 3196815 CC1=CC(=C(C=C1)OC)N(C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.817 2 7 0 -13.7927275366546 3196810 COC1=CC=C(C=C1)N(C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.331 2 7 0 -13.6648795644 3196808 CC(=O)C1=CC=CC=C1N(C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.087 2 7 0 -19.2524660254224 3196778 COCCN(C(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)NC2CCCC2)C(=O)C3=CC=CO3 1 2.639 2 7 0 -15.8696942287202 3196776 COC1=CC=CC(=C1OC)C(C(=O)NC2CCCC2)N(C3=CC=CC=C3)C(=O)C4=CC=CO4 1 4.363 2 5 0 -13.0119074162065 3196754 CC(=O)C1=CC(=CC=C1)N(C(C2=C(C(=CC=C2)OC)OC)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.103 2 6 0 -15.7771069850193 3196753 CC(=O)C1=CC=C(C=C1)N(C(C2=C(C(=CC=C2)OC)OC)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.103 2 6 0 -16.1269956321306 3196751 CC(=O)NC1=CC=C(C=C1)N(C(C2=C(C(=CC=C2)OC)OC)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 3.484 3 6 0 -16.2430638886946 3196748 COC1=CC=CC(=C1OC)C(C(=O)NC2CCCC2)N(C3=CC=CC=C3F)C(=O)C4=CC=CO4 1 4.569 2 5 0 -14.7387708490026 3196739 CC1=C(C=CC(=C1)N(C(C2=C(C(=CC=C2)OC)OC)C(=O)NC3CCCC3)C(=O)C4=CC=CO4)N5C=NN=N5 1 3.736 6 5 0 -24.1346872717247 3196738 CC1=CC=C(C=C1)CN(C(C2=C(C(=CC=C2)OC)OC)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.856 2 5 0 -11.7322619901263 3196736 COC1=CC=CC(=C1OC)C(C(=O)NC2CCCC2)N(CC3=CC=CO3)C(=O)C4=CC=CO4 1 3.552 2 6 0 -13.8922802990532 3196702 COC1=CC=CC(=C1)C(C(=O)NC2CCCC2)N(CC3=CC=CC=C3OC)C(=O)C4=CC=CO4 1 4.37 2 5 0 -11.2236844832816 3196673 CC(=O)C1=CC2=C(C=C1N(C(C3=CC=CC=C3F)C(=O)NC4CCCC4)C(=O)C5=CC=CO5)OCO2 1 4.11 2 6 0 -15.1482983544009 3196672 CC(=O)C1=CC(=CC=C1)N(C(C2=CC=CC=C2F)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.342 2 4 -13.9237943856343 3196624 CCOC1=CC=CC=C1N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.682 2 4 -14.4460580543592 3196623 COC1=CC=CC=C1N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.333 2 4 -13.6634164375695 3196622 CC1=CC(=C(C=C1)OC)N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.819 2 4 -10.8507019817584 3196620 COC1=CC(=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4)OC 1 4.317 2 5 0 -11.5046578932676 3196617 COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4)OC 1 4.317 2 5 0 -12.8840111612854 3196615 COC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.333 2 4 -10.4968567070542 3196614 C1CCC(C1)NC(=O)C(C2=CC=CS2)N(C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CO5 1 4.118 2 5 0 -10.65972845417 3196612 CC(=O)C1=CC(=CC=C1)N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.089 2 4 -13.1223114739409 3196611 CC(=O)C1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.089 2 4 -13.7985730287068 3196610 CC(=O)NC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 3.47 3 4 0 -13.9146412852708 3196588 COCCN(C(C1=CC=CS1)C(=O)NC2CCCC2)C(=O)C3=CC=CO3 1 2.642 2 4 -12.5361238376108 3196554 C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(C3=CC=CC=C3)C(=O)C4=CC=CO4 1 3.246 3 3 -11.1878793042096 3196552 CC1=C(C(=CC=C1)C)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.218 3 3 -10.3669533876478 3196550 CC1=CC(=CC(=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4)C 1 4.218 3 3 -10.9006928584335 3196549 CC1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 3.732 3 3 -10.588284989337 3196548 CCC1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.188 3 3 -10.8277231251161 3196547 CC(C)C1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.44 3 3 -9.90188117904274 3196544 COC1=CC=CC=C1N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 3.229 3 4 0 -14.1678109289964 3196543 COC1=C(C=C(C=C1)Cl)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 3.894 3 4 0 -10.1451621363426 3196542 COC1=C(C=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4)OC 1 3.213 3 5 0 -13.3884056527123 3196540 COC1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 3.229 3 4 0 -11.0012511984812 3196537 CC(=O)NC1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 2.366 4 4 0 -14.4190357766977 3196535 CCOC(=O)C1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 3.45 3 5 0 -15.0106918978941 3196533 C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(C3=CC(=C(C=C3)F)Cl)C(=O)C4=CC=CO4 1 4.115 3 3 -9.05555514357245 3196531 C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(C3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4 1 3.91 3 3 -8.7662862987502 3196522 COC1=C(C=C(C=C1)CCN(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4)OC 1 3.541 3 5 0 -13.4403563690161 3196519 CC1=CC=CC=C1N(C(C2=CN=CC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 3.732 3 3 -16.9497615958173 3196518 CC1=C(C(=CC=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4)C 1 4.218 3 3 -14.6010080512557 3196513 CC1=C(C=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4)C 1 4.218 3 3 -13.4328253058625 3196511 CC1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 3.732 3 3 -13.8769484056789 3196510 CCC1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.188 3 3 -14.1163865414579 3196509 CC(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.44 3 3 -13.1905445953846 3196508 CCC(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.896 3 3 -13.5840589168447 3196506 CCC1=CC=CC=C1N(C(C2=CN=CC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4 1 4.188 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CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(C3=CC(=CC=C3)OC)C(C4=CC=NC=C4)C(=O)NC5CCCC5 1 2.902 7 4 0 -8.23790761751498 3180509 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(C3=CC=CC=C3OC)C(C4=CC=NC=C4)C(=O)NC5CCCC5 1 2.902 7 4 0 -12.2631924675316 3180506 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(C3=CC=C(C=C3)F)C(C4=CC=NC=C4)C(=O)NC5CCCC5 1 3.123 7 3 0 -8.06918372893169 3180503 C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(C3=CC=C(C=C3)F)C(=O)C4=C(C(=NS4)C(=O)N)N 1 2.044 6 3 0 -11.1358840865517 3180502 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(C3=CC(=CC=C3)F)C(C4=CC=NC=C4)C(=O)NC5CCCC5 1 3.123 7 3 0 -6.65523347275898 3180500 C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(C3=CC(=CC=C3)F)C(=O)CN4N=C(N=N4)C5=CC=CC=C5F 1 3.788 7 2 0 -8.97311655795913 3180498 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(C3=CC=CC=C3F)C(C4=CC=NC=C4)C(=O)NC5CCCC5 1 3.123 7 3 0 -11.0101242755409 3180495 CC(C)C1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N 1 3.032 6 3 0 -11.1613573017227 3180492 CCC1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N 1 2.78 6 3 0 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0 -10.0469950126329 3180459 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CC3=CC=C(C=C3)F)C(C4=CC=NC=C4)C(=O)NC5CCCC5 1 3.13 7 3 0 -7.8799387869231 3180457 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CC3=CC=CC=C3F)C(C4=CC=NC=C4)C(=O)NC5CCCC5 1 3.13 7 3 0 -7.17161975188466 3180452 C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(N4)C5=CC=CC=C5 1 5.052 4 2 -7.01286803713389 3180447 C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(CCCN3CCOCC3)C(=O)C4=CC=C(N4)C5=CC=CC=C5 1 3.357 5 3 0 -7.16428067106732 3180446 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CCN3CCOCC3)C(C4=CC=NC=C4)C(=O)NC5CCCC5 1 1.168 8 4 0 -10.4833614889343 3180443 COC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N(CCCO)C(C3=CC=NC=C3)C(=O)NC4CCCC4 1 1.307 7 4 0 -8.8199286019354 3180441 COC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N(CCO)C(C3=CC=NC=C3)C(=O)NC4CCCC4 1 1.245 7 4 0 -8.73061026698461 3180432 COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N)OC 1 2.909 5 5 0 -14.0460930574406 3180430 CCOC1=CC=CC=C1N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N 1 3.275 5 4 0 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3180326 CCC1=CC=C(C=C1)N(C(C2=CC=CO2)C(=O)NC3CCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N 1 3.326 5 4 0 -13.6582550016326 3180289 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CCO)C(C3=CC(=C(C=C3)OC)OC)C(=O)NC4CCCC4 1 1.92 6 6 0 -11.4734171634106 3180274 COC1=C(C=CC(=C1)C(C(=O)NC2CCCC2)N(CC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N)O 1 2.737 5 5 0 -9.50957691259455 3180273 CCOCCCN(C(C1=CC(=C(C=C1)O)OC)C(=O)NC2CCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N 1 1.434 5 6 0 -12.7184811406524 3180271 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CCO)C(C3=CC(=C(C=C3)O)OC)C(=O)NC4CCCC4 1 1.694 6 6 0 -5.83404762617815 3180269 CCOC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(C3=CC(=CC=C3)O)C(=O)C4=C(C(=NS4)C(=O)N)N 1 3.079 5 5 0 -9.73883800342687 3180263 CCOC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(CCCO)C(=O)C3=CC=C(N3)C4=CC=CC=C4 1 4.475 3 4 0 -5.98450884442032 3180258 COC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(C3=CC(=CC=C3)O)C(=O)C4=C(C(=NS4)C(=O)N)N 1 2.73 5 5 0 -8.97261485171884 3180246 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CC3CCCO3)C(C4=CC=C(C=C4)OC)C(=O)NC5CCCC5 1 2.834 6 5 0 -13.6899457925991 3180243 CCOCCCN(C(C1=CC=C(C=C1)OC)C(=O)NC2CCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N 1 1.676 5 5 0 -14.8907399500379 3180241 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CCCO)C(C3=CC=C(C=C3)OC)C(=O)NC4CCCC4 1 1.999 6 5 0 -7.8188842244554 3180239 COC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(CCCO)C(=O)C3=C(C(=NS3)C(=O)N)N 1 0.919 5 5 0 -10.6465215569792 3180237 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CCO)C(C3=CC=C(C=C3)OC)C(=O)NC4CCCC4 1 1.936 6 5 0 -7.72956588950461 3180205 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CC3CCCO3)C(C4=CC=C(C=C4)O)C(=O)NC5CCCC5 1 2.609 6 5 0 -11.3971054723158 3180200 CCOCCCN(C(C1=CC=C(C=C1)O)C(=O)NC2CCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N 1 1.45 5 5 0 -12.6689425783896 3180176 CCOCCCN(C(C1=CC=C(C=C1)F)C(=O)NC2CCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N 1 1.898 5 4 0 -13.8369396640635 3180175 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CCCO)C(C3=CC=C(C=C3)F)C(=O)NC4CCCC4 1 2.22 6 4 0 -6.694040989846 3180174 COC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N(CCCO)C(C3=CC=C(C=C3)F)C(=O)NC4CCCC4 1 2.663 6 4 0 -7.22884864995342 3180173 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CCO)C(C3=CC=C(C=C3)F)C(=O)NC4CCCC4 1 2.158 6 4 0 -6.60472265489521 3180168 C1CCC(C1)NC(=O)C(C2=CC=C(C=C2)Cl)N(C3=CC(=CC=C3)O)C(=O)C4=C(C(=NS4)C(=O)N)N 1 3.411 5 4 0 -6.73764995198788 3180148 COC1=C(C=C(C=C1)C(=O)N(CC2CCCO2)C(C3=CC=C(C=C3)Cl)C(=O)NC4CCCC4)OC 1 4.415 2 5 0 -17.1716161295593 3180146 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CCCO)C(C3=CC=C(C=C3)Cl)C(=O)NC4CCCC4 1 2.679 6 4 0 -5.58391932472444 3180109 CC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(CC3=CC4=C(C=C3)OCO4)C(=O)C5=C(C(=NS5)C(=O)N)N 1 3.25 5 5 0 -11.7536485796862 3180102 CC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(CC3CCCO3)C(=O)C4=CC(=C(C=C4)OC)OC 1 4.237 2 5 0 -18.9936148201461 3180097 CC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(CCCO)C(=O)CN3N=C(N=N3)C4=CC=C(O4)C 1 2.501 6 4 0 -7.59421460964506 3180077 CC1=CC=C(C=C1)N(C(CC(C)C)C(=O)NC2CCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N 1 3.472 5 3 0 -13.1716589086524 3180069 CC(C)CC(C(=O)NC1CCCC1)N(CC2=CC=CS2)C(=O)C3=C(C(=NS3)C(=O)N)N 1 2.733 5 3 0 -13.8249455467261 3180068 CC(C)CC(C(=O)NC1CCCC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N 1 2.761 5 5 0 -13.7912017690747 3180055 CCCCC(C(=O)NC1CCCC1)N(C2=CC=C(C=C2)F)C(=O)C3=C(C(=NS3)C(=O)N)N 1 3.396 5 3 0 -12.5172920012002 3180047 CCCCC(C(=O)NC1CCCC1)N(C2=CC=C(C=C2)C)C(=O)C3=C(C(=NS3)C(=O)N)N 1 3.676 5 3 0 -13.2291690266654 3180044 CCCCC(C(=O)NC1CCCC1)N(CC2=CC=CO2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F 1 4.124 6 3 0 -11.035656823778 3180039 CCCCC(C(=O)NC1CCCC1)N(CC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N 1 3.197 5 3 0 -13.3639328202374 3180030 CCCC(C(=O)NC1CCCC1)N(C2=CC=C(C=C2)OCC)C(=O)C3=C(C(=NS3)C(=O)N)N 1 3.066 5 4 0 -14.5503500583282 3180026 CCCC(C(=O)NC1CCCC1)N(C2=CC(=CC=C2)O)C(=O)CN3N=C(N=N3)C4=CC=C(O4)C 1 3.572 6 4 0 -8.11385010013757 3180020 CCCC(C(=O)NC1CCCC1)N(C2=CC=C(C=C2)F)C(=O)C3=C(C(=NS3)C(=O)N)N 1 2.939 5 3 0 -12.8775829752179 3180015 CCCC(C(=O)NC1CCCC1)N(C2=CC=CC=C2F)C(=O)CN3N=C(N=N3)C4=CC=C(O4)C 1 4.019 6 3 0 -12.7518231642071 3179999 CCCC(C(=O)NC1CCCC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N 1 2.509 5 5 0 -14.2090028611055 3179996 CCCC(C(=O)NC1CCCC1)N(CC2=CC=C(C=C2)OC)C(=O)C3=C(C(=NS3)C(=O)N)N 1 2.724 5 4 0 -13.3223750986197 3179995 CCCC(C(=O)NC1CCCC1)N(CC2=CC=CC=C2Cl)C(=O)C3=C(C(=NS3)C(=O)N)N 1 3.405 5 3 0 -11.4711338825889 3179994 CCCC(C(=O)NC1CCCC1)N(CC2=CC=C(C=C2)F)C(=O)C3=C(C(=NS3)C(=O)N)N 1 2.946 5 3 0 -12.1975318640103 3179991 CCCC(C(=O)NC1CCCC1)N(CC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N 1 2.741 5 3 0 -13.7242237942552 3179988 CCCC(C(=O)NC1CCCC1)N(CCN(CC)CC)C(=O)C2=C(C(=NS2)C(=O)N)N 1 1.994 6 3 0 -14.6490204996656 3179975 CCC(C(=O)NC1CCCC1)N(C2=CC(=C(C=C2)OC)OC)C(=O)CN3N=C(N=N3)C4=CC=C(O4)C 1 3.325 6 5 0 -11.7456062130343 3179972 CCC(C(=O)NC1CCCC1)N(C2=CC(=C(C=C2)OC)OC)C(=O)C3=C(C(=NS3)C(=O)N)N 1 2.245 5 5 0 -14.8123065706543 3179968 CCC(C(=O)NC1CCCC1)N(C2=CC=C(C=C2)OCC)C(=O)C3=C(C(=NS3)C(=O)N)N 1 2.61 5 4 0 -12.9730759649241 3179967 CCC(C(=O)NC1CCCC1)N(C2=CC=CC=C2OCC)C(=O)C3=C(C(=NS3)C(=O)N)N 1 2.61 5 4 0 -16.0586599339963 3179966 CCC(C(=O)NC1CCCC1)N(C2=CC=C(C=C2)OC)C(=O)CN3N=C(N=N3)C4=CC=C(O4)C 1 3.341 6 4 0 -9.35845175880316 3179963 CCC(C(=O)NC1CCCC1)N(C2=CC=C(C=C2)OC)C(=O)C3=C(C(=NS3)C(=O)N)N 1 2.261 5 4 0 -12.4251521164232 3179962 CCC(C(=O)NC1CCCC1)N(C2=CC(=CC=C2)OC)C(=O)CN3N=C(N=N3)C4=CC=C(O4)C 1 3.341 6 4 0 -8.40233241277705 3179957 CCC(C(=O)NC1CCCC1)N(C2=CC=CC=C2OC)C(=O)CN3N=C(N=N3)C4=CC=C(O4)C 1 3.341 6 4 0 -12.4276172627937 3179954 CCC(C(=O)NC1CCCC1)N(C2=CC(=CC=C2)O)C(=O)CN3N=C(N=N3)C4=CC=C(O4)C 1 3.116 6 4 0 -6.53657600673345 3179953 CCC(C(=O)NC1CCCC1)N(C2=CC(=CC=C2)O)C(=O)CN3N=C(N=N3)C4=CC(=C(C=C4)OC)OC 1 3.542 6 5 0 -10.686893291222 3179950 CCC(C(=O)NC1CCCC1)N(C2=CC=C(C=C2)F)C(=O)CN3N=C(N=N3)C4=CC=C(O4)C 1 3.563 6 3 0 -8.23360852419377 3179934 CCC(C(=O)NC1CCCC1)N(C2=C(C=C(C=C2)C)C)C(=O)C3=C(C(=NS3)C(=O)N)N 1 3.25 5 3 0 -12.2372543076662 3179913 CCC(C(=O)NC1CCCC1)N(CC2=CC=CS2)C(=O)CN3N=C(N=N3)C4=CC(=C(C=C4)OC)OC 1 3.531 6 4 0 -13.8483145930958 3179904 CCC(C(=O)NC1CCCC1)N(CC2=CC=CC=C2Cl)C(=O)C3=C(C(=NS3)C(=O)N)N 1 2.949 5 3 0 -9.89385978918479 3179856 CC(C(=O)NC1CCCC1)N(C2=CC=CC=C2F)C(=O)C3=CC=C(N3)C4=CC=CC=C4 1 5.167 3 2 -8.42520324101373 3179858 CC(C(=O)NC1CCCC1)N(C2=CC=CC=C2F)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F 1 3.704 6 2 0 -10.5517682325342 3179867 CC(C(=O)NC1CCCC1)N(C2=CC(=CC=C2)O)C(=O)CN3N=C(N=N3)C4=CC(=C(C=C4)OC)OC 1 3.018 6 5 0 -10.1306699710672 3179892 CCC(C(=O)NC1CCCC1)N(CCCOCC)C(=O)CN2N=C(N=N2)C3=CC(=C(C=C3)OC)OC 1 2.488 6 5 0 -16.3203966734448 3179889 CCC(C(=O)NC1CCCC1)N(C2CCCC2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)C 1 4.129 6 2 0 -9.03277877829494 3179883 CC(C(=O)NC1CCCC1)N(C2=CC(=C(C=C2)OC)OC)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F 1 3.466 6 4 0 -10.5993473183776 3179874 CC(C(=O)NC1CCCC1)N(C2=CC=C(C=C2)OC)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F 1 3.482 6 3 0 -8.21219286414643 3179821 C1CCC(C1)NC(=O)CN(C2=CC3=CC=CC=C3N=C2)C(=O)C4=C(C(=NS4)C(=O)N)N 1 1.456 6 3 0 -9.63143794105588 3179810 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CC(=O)NC3CCCC3)C4=C(C=C(C=C4)OC)OC 1 2.317 6 5 0 -10.5660268946036 3179809 COC1=CC(=C(C=C1)N(CC(=O)NC2CCCC2)C(=O)CN3N=C(N=N3)C4=CC(=C(C=C4)OC)OC)OC 1 2.743 6 6 0 -14.1817361235115 3179808 CC1=CC(=C(C=C1)OC)N(CC(=O)NC2CCCC2)C(=O)CN3N=C(N=N3)C4=CC=C(O4)C 1 2.819 6 4 0 -10.1003675774283 3179803 CCOC1=CC=C(C=C1)N(CC(=O)NC2CCCC2)C(=O)CN3N=C(N=N3)C4=CC=C(O4)C 1 2.682 6 4 0 -10.1485908155057 3179795 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CC(=O)NC3CCCC3)C4=CC=C(C=C4)OC 1 2.333 6 4 0 -9.38236766379767 3179794 COC1=CC=C(C=C1)N(CC(=O)NC2CCCC2)C(=O)CN3N=C(N=N3)C4=CC(=C(C=C4)OC)OC 1 2.76 6 5 0 -13.2240741951551 3179793 COC1=CC=C(C=C1)N(CC(=O)NC2CCCC2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F 1 2.998 6 3 0 -8.7923320892957 3179792 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CC(=O)NC3CCCC3)C4=CC(=CC=C4)OC 1 2.333 6 4 0 -9.59919188983968 3179786 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CC(=O)NC3CCCC3)C4=CC(=C(C=C4)F)Cl 1 3.22 6 3 0 -8.60961518095709 3179781 C1CCC(C1)NC(=O)CN(C2=CC(=C(C=C2)F)Cl)C(=O)C3=C(C(=NS3)C(=O)N)N 1 2.14 5 3 0 -11.6763155385771 3179774 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CC(=O)NC3CCCC3)C4=CC=C(C=C4)F 1 2.555 6 3 0 -8.25752442918828 3179772 C1CCC(C1)NC(=O)CN(C2=CC=C(C=C2)F)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F 1 3.22 6 2 0 -9.20568482236911 3179770 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CC(=O)NC3CCCC3)C4=CC(=CC=C4)F 1 2.555 6 3 0 -8.01651774508369 3179767 C1CCC(C1)NC(=O)CN(C2=CC(=CC=C2)F)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F 1 3.22 6 2 0 -8.33915319089952 3179764 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CC(=O)NC3CCCC3)C4=CC=CC=C4F 1 2.555 6 3 0 -11.5398705541537 3179763 COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)N(CC(=O)NC3CCCC3)C4=CC=CC=C4F)OC 1 2.982 6 4 0 -15.5503499344206 3179757 C1CCC(C1)NC(=O)CN(C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=C(C(=NS3)C(=O)N)N 1 2.212 5 3 0 -9.2261386223868 3179740 CC1=CC=C(C=C1)N(CC(=O)NC2CCCC2)C(=O)CN3N=C(N=N3)C4=CC=CC=C4F 1 3.501 6 2 0 -10.6664122569409 3179735 COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)N(CC(=O)NC3CCCC3)C4=CC=CC=C4)OC 1 2.776 6 4 0 -13.4820809232682 3179731 COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)N(CC3=CC=CO3)CC(=O)NC4CCCC4)OC 1 1.965 6 5 0 -17.3481974582408 3179718 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CCC3=CC(=C(C=C3)OC)OC)CC(=O)NC4CCCC4 1 2.645 6 5 0 -14.7245432445571 3179710 COC1=CC=C(C=C1)CN(CC(=O)NC2CCCC2)C(=O)C3=CC=C(N3)C4=CC=CC=C4 1 4.467 3 3 -8.52325687263721 3179683 CC(C)CCNC(=O)C(C1=CC=NC=C1)N(C2=CC=CC=C2F)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F 1 3.967 7 2 0 -14.6225771657093 3179673 CC(C)CCNC(=O)C(C1=CC=NC=C1)N(CC2=CC=CS2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F 1 3.508 7 2 0 -13.0141283954501 3179670 CC(C)CCNC(=O)C(C1=CC=NC=C1)N(CC2CCCO2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F 1 2.543 7 3 0 -17.1211713474575 3179657 CC1=CC(=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC(C)C)C(=O)C3=CC=C(O3)CN4CCOCC4)C 1 5.34 3 4 0 -14.3854288833412 3179625 CC1=CC=C(C=C1)N(C(C2=CC=CO2)C(=O)NCCC(C)C)C(=O)C3=C(C(=NS3)C(=O)N)N 1 3.049 5 4 0 -17.0978272741359 3179612 CC(C)CCNC(=O)C(C1=CC=CO1)N(CCCO)C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)F 1 2.253 6 4 0 -12.7796039956813 3179608 CC(C)CCNC(=O)C(C1=CC(=C(C=C1)OC)OC)N(CCCO)C(=O)C2=C(C(=NS2)C(=O)N)N 1 1.081 5 6 0 -18.0693832391677 3179606 CC(C)CCNC(=O)C(C1=CC(=C(C=C1)OC)OC)N(CCO)C(=O)C2=C(C(=NS2)C(=O)N)N 1 1.018 5 6 0 -17.9800649042169 3179585 CCOC1=CC=C(C=C1)C(C(=O)NCCC(C)C)N(CCO)C(=O)C2=C(C(=NS2)C(=O)N)N 1 1.384 5 5 0 -15.0024367820189 3179578 CC(C)CCNC(=O)C(C1=CC=C(C=C1)OC)N(CCO)C(=O)C2=C(C(=NS2)C(=O)N)N 1 1.035 5 5 0 -14.2362136303109 3179565 CCOC(=O)CN(C(C1=CC=C(C=C1)F)C(=O)NCCC(C)C)C(=O)C2=C(C(=NS2)C(=O)N)N 1 1.852 5 5 0 -19.036377680034 3179563 CCOCCCN(C(C1=CC=C(C=C1)F)C(=O)NCCC(C)C)C(=O)C2=C(C(=NS2)C(=O)N)N 1 2.076 5 4 0 -17.5159500723459 3179544 CCOCCCN(C(C1=CC=C(C=C1)Cl)C(=O)NCCC(C)C)C(=O)C2=C(C(=NS2)C(=O)N)N 1 2.535 5 4 0 -16.4058284072244 3179511 CC1=CC=C(C=C1)C(C(=O)NCCC(C)C)N(CC2CCCO2)C(=O)C3=CC(=C(C=C3)OC)OC 1 4.415 2 5 0 -22.5486392321339 3179507 CCOCCCN(C(C1=CC=C(C=C1)C)C(=O)NCCC(C)C)C(=O)C2=C(C(=NS2)C(=O)N)N 1 2.357 5 4 0 -18.2278270978112 3179495 CC(C)CCNC(=O)C(CC(C)C)N(CC1=CC2=C(C=C1)OCO2)C(=O)C3=C(C(=NS3)C(=O)N)N 1 2.939 5 5 0 -17.2226641413481 3179414 CC(C)CCNC(=O)C(C)N(C1=CC2=CC=CC=C2N=C1)C(=O)C3=C(C(=NS3)C(=O)N)N 1 2.119 6 3 0 -12.500715068867 3179422 CCC(C(=O)NCCC(C)C)N(CC1=CC=CC=C1Cl)C(=O)C2=C(C(=NS2)C(=O)N)N 1 3.127 5 3 0 -13.6590658078064 3179451 CCCC(C(=O)NCCC(C)C)N(CC1=CC=C(C=C1)OC)C(=O)C2=C(C(=NS2)C(=O)N)N 1 2.903 5 4 0 -16.5303631971318 3179450 CCCC(C(=O)NCCC(C)C)N(CC1=CC=CC=C1Cl)C(=O)C2=C(C(=NS2)C(=O)N)N 1 3.584 5 3 0 -14.679121981101 3179449 CCCC(C(=O)NCCC(C)C)N(CC1=CC=C(C=C1)F)C(=O)C2=C(C(=NS2)C(=O)N)N 1 3.125 5 3 0 -15.4055199625224 3179448 CCCC(C(=O)NCCC(C)C)N(CC1=CC=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N 1 2.919 5 3 0 -16.9322118927673 3179384 CC(C)CCNC(=O)C(C)N(CC1=CC=CS1)C(=O)CN2N=C(N=N2)C3=CC(=C(C=C3)OC)OC 1 3.186 6 4 0 -16.9173656704941 3179378 CC(C)CCNC(=O)C(C)N(CC1=CC=C(C=C1)F)C(=O)C2=CC=C(O2)CN3CCOCC3 1 3.392 3 4 0 -12.9246865286108 3179328 CC(C)CCNC(=O)CN(CC1=CC=CO1)C(=O)C2=C(C(=NS2)C(=O)N)N 1 0.637 5 4 0 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CC1=CC(=NC(=N1)N2CCN(CC2)C3=CC=C(C=C3)F)C 1 2.514 4 0 3.62755371742743 3165127 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CC=C)C3=CC=CC=C3 1 2.448 3 4 0 -18.4977357428824 3165123 COCCN1C(C(=O)N(C1=O)C2=CC(=CC=C2)OC)CC(=O)NC3=CC=C(C=C3)Cl 1 2.365 3 5 0 -13.2714833251525 3165118 CC1=CC(=CC=C1)N2C(=O)C(N(C2=O)CCOC)CC(=O)NC3=CC=C(C=C3)OC 1 2.187 3 5 0 -13.8961743321043 3165117 COCCN1C(C(=O)N(C1=O)C2=CC(=CC=C2)OC)CC(=O)NC3=CC=C(C=C3)OC 1 1.684 3 6 0 -15.5964242785802 3165091 CCC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CCOC)C3=CC=C(C=C3)OC 1 2.643 3 5 0 -16.0193752524758 3165090 CCC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CCOC)C3=CC(=CC=C3)OC 1 2.643 3 5 0 -15.3329201515184 3165089 COCCN1C(C(=O)N(C1=O)C2=CC=CC=C2)CC(=O)NC3=CC(=CC(=C3)OC)OC 1 1.684 3 6 0 -18.9147935082828 3165088 CC1=CC(=CC=C1)N2C(=O)C(N(C2=O)CCOC)CC(=O)NC3=CC(=CC(=C3)OC)OC 1 2.17 3 6 0 -16.9095654327699 3165087 COCCN1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)CC(=O)NC3=CC(=CC(=C3)OC)OC 1 2.348 3 6 0 -16.8314916225538 3165086 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3161026 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCC(CC2)C 1 2.163 2 3 -16.0765634516177 3161025 CCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=CN=CC=C2 1 1.221 3 3 0 -20.5113930800085 3161008 COC1=C(C=C2C(=C1)C(=O)N=C3N2C(N=C(N3)N)C4=C(C=C(C=C4)Cl)Cl)OC 1 3.763 5 3 0 -4.27177889879762 3160979 C1COCCN1C2=NC=C(C=N2)C(=O)O 1 -0.569 3 3 0 -1.79830370204137 3160978 C1COCCN1C2=NC=C(C=N2)C=O 1 -0.439 3 2 0 -1.13796249132467 3160957 CC1=C(C2=NSN=C2C=C1)NC(=O)COC3=CC=CC=C3 1 3.064 3 2 -5.60778134598517 3160952 CC1=C(C2=NSN=C2C=C1)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.643 4 4 0 -2.67522403091357 3160917 CCCC1=C(C(C(=C(O1)N)C#N)C2=CC=CO2)C(=O)OCC 1 2.128 2 4 -16.3902489388845 3160914 CC1=C(C(=NC2=C1SC3=C2C(CC(=O)N3)C4=CC=C(C=C4)F)N)C#N 1 3.187 4 1 -6.93966694245836 3160911 CC1=C(C(=NC2=C1SC3=C2C(CC(=O)N3)C4=CC=CC=C4)N)C#N 1 2.981 4 1 -8.10389765218384 3160859 CC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=CS4 1 4.074 3 1 -10.6247104507849 3160828 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(N3)C)F 1 2.785 3 2 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2 1 0 -2.72621749526417 3159650 CC1=C(C(=NN1CC(=O)O)C)N 1 -0.358 3 2 0 -6.2885441352736 3159641 CCC1CCC2=C(C1)C(=NN2)C(=O)O 1 2.423 2 2 -6.93241715561075 3159590 C1C(CN(C1=O)CCC2=CC=C(C=C2)F)C(=O)O 1 1.265 1 3 0 -10.0763568503736 3159585 CC1=CC2=C(C=C1)NC=C2C(=O)CCl 1 2.882 1 1 1.44864460183224 3159574 CC1=C(C=NN1C)C2=CC(=NO2)C(=O)O 1 0.947 3 3 0 -3.57693721807388 3159557 CC1=CC=CC=C1C2=NOC(=N2)CCC(=O)NC3CCCCC3 1 3.249 3 2 -10.4075973233325 3159550 C1CCC(CC1)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3Cl 1 3.427 3 2 -10.9681274072576 3159547 C1CC(OC1)CNC(=O)CCC2=NC(=NO2)C3=CC=CC=C3Cl 1 1.927 3 3 0 -17.417292427058 3159538 C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=CN=CC=C3 1 1.33 4 2 0 -6.23665673217823 3159537 COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)CCC(=O)NC3CCCCC3 1 2.713 3 5 0 -13.8722740569992 3159504 CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3CCCO3 1 2.663 3 3 -12.2553671479512 3159501 CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3CCOCC3 1 2.198 3 3 -4.43365058130037 3159490 COC1=CC=CC(=C1)C2=NOC(=N2)CCC(=O)NCC3CCCO3 1 1.246 3 4 0 -13.3061343497661 3159485 CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3=CC=CO3 1 2.155 3 3 -12.4040649389852 3159467 CC1=CC=CC(=C1)C(=O)NC2=CNC(=O)NC2=O 1 -3.7e-002 3 3 0 -13.3922383655952 3159388 CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C(=N3)CCNC(=O)C4=CC=CO4)C 1 3.45 4 3 0 -9.10777402014083 3159386 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)OC)N=C1CCNC(=O)C4=CC=CO4 1 2.948 4 4 0 -9.52074022928497 3159385 CCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CCNC(=O)C3=CC=CO3)C 1 1.967 4 3 0 -9.51071493992636 3159382 CC(=O)NCCC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl 1 2.569 4 2 -7.42319945319584 3159379 CC1=C(C(=O)N=C(N1)SCCOC2=CC=CC(=C2)OC)CC3=CC=CC=C3 1 4.518 2 3 -13.2787567269234 3159378 CC1=C(C(=O)N=C(N1)SCCOC2=CC=CC=C2OC)CC3=CC=CC=C3 1 4.518 2 3 -15.9692478305257 3159359 CCCNC(=O)C12CCC(C1(C)C)(C3=NC4=C(C=C(C(=C4)C)C)N=C23)C 1 4.777 3 1 -7.62240539224467 3159358 CC1=CC2=C(C=C1C)N=C3C(=N2)C4(CCC3(C4(C)C)C(=O)N(C)C)C 1 4.11 3 1 -2.04837503449478 3159343 CC1(C2CCC1(C3=NC4=CC=CC=C4N=C23)C(=O)O)C 1 2.937 2 2 -2.49145423851964 3159334 CCCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SCCN4CCOCC4 1 4.158 5 1 -7.30200968653123 3159333 CCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SCCN4CCOCC4 1 3.634 5 1 -5.8115710993996 3159328 CC(=O)NC1C2=C(C=CC(=C2)OC)N(C1=O)CCC3=CC=CC=C3 1 1.993 2 3 0 -5.95214342139361 3159324 CC(=O)NC1=CC=C(C=C1)C(=O)CN2C(=O)CSC2=O 1 0.627 2 4 0 -17.4751984926229 3159323 C1=CC=C(C=C1)C(=O)CN2C(=O)C(SC2=O)CC(=O)O 1 1.372 1 5 0 -11.9740501082301 3159321 CC(=O)NC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)S2)CC(=O)C3=CC=CC=C3 1 1.647 3 5 0 -14.5379111675555 3159309 CC1=CC(=NN1CCCC(=O)O)C 1 0.958 2 2 0 -15.403899599068 3159307 CNCC(CN(C1=CC=CC=C1)C2=CC=CC=C2)O 1 2.678 2 1 -3.16322180000037 3159273 CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4CCCN(C)C)C#N 1 3.678 5 0 -11.8856259229005 3159272 CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4CCN5CCOCC5)C#N 1 3.303 5 1 -16.2112892463411 3159270 CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4CCN(C)C)C#N 1 3.615 5 0 -12.5144800689423 3159264 CCSC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C 1 4.13 3 0 -9.35693843971161 3159246 CCN1C2=C(C=C(C=C2)NC(=O)CCl)OC1=O 1 1.547 2 3 0 -6.17066359039891 3159245 CN1C2=C(C=C(C=C2)NC(=O)CCl)OC1=O 1 1.199 2 3 0 -5.38209773700529 3159109 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C34CC5CC(C3)CC(C5)C4 1 4.514 3 2 1.55104162400091 3159108 CC(C)N(CC1=NC(=NO1)C2=CC=C(C=C2)Cl)C(=O)COC3=CC=CC=C3OC 1 3.62 3 4 0 -4.811735548399 3159104 CC(C)N(CC1=NC(=NO1)C2=CC=C(C=C2)Cl)C(=O)COC3=CC=CC(=C3)OC 1 3.62 3 4 0 -1.9307021914022 3159101 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C3=CC(=C(C=C3)OC)OC 1 3.59 3 4 0 -5.63554182440117 3159097 CCCC(=O)NC1=CC2=C(C=C1)N3CCN(CC3=N2)C4CCCCC4 1 3.738 4 1 -9.86880237280437 3159096 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)OC 1 0.665 4 4 0 -15.8824414131005 3159093 CCC(C)(C)NC(=O)C1=CC2=C(C=C1)OCCO2 1 2.278 1 3 -11.9774363094614 3159089 CC(C)N1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C 1 0.965 5 2 0 -4.52644968765615 3159080 CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C)O 1 2.303 5 4 0 -1.99601346911864 3159053 CN(C)S(=O)(=O)N1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)OC 1 1.485 6 3 0 -10.1642244465922 3159052 C1=CC(=CC(=C1)Cl)C(=O)NCCNC(=O)C2=NON=C2N 1 0.584 5 3 0 -12.4879360998553 3159023 CC1CCCCN1CC2=CC=C(C=C2)N 1 2.451 2 0 0.365842374111105 3159022 CNCC(CN1C2=C(CCCC2)C3=CC=CC=C31)O 1 2.804 2 1 1.58487663267211 3159019 CNCC(CN1C2=CC=CC=C2N=C1C(F)(F)F)O 1 1.992 3 1 0 1.27111379967346 3158993 CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=CC=C3OC 1 2.827 1 4 -9.9146112982023 3158990 CC1=CC=C(C=C1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C 1 3.329 1 3 -6.73772916946991 3158988 CC1=CC=CC=C1NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C 1 3.329 1 3 -8.9475893266393 3158987 CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=CC=C3 1 2.843 1 3 -7.06279630485566 3158986 CCC1=NN=C(S1)NC(=O)C2=CSC3=C2CCC(C3)C 1 3.313 3 1 -15.2824978887649 3158985 CC1CCC2=C(C1)SC=C2C(=O)NC3=NN=C(S3)C 1 2.646 3 1 -14.1307429429099 3158983 CC1CCC2=C(C1)SC=C2C(=O)NC3=CC=CC=C3OC 1 3.895 1 2 -10.3587881615983 3158971 CCC1CCCCN1CC2=CC=C(C=C2)N 1 2.975 2 0 0.139362767905424 3158965 CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC=CC=C3OCC#N)C(=O)C1)C 1 2.001 2 5 0 -28.3458026029427 3158895 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3OC)OCO4)C(=O)C1)C 1 2.062 2 5 0 -19.8744307925188 3158875 C1CCC(CC1)C2=NC3=CC=CC=C3N2CCC#N 1 3.917 3 0 -2.17299878605301 3158873 CCCNC1=NC(=NC(=N1)N2CCCC2)N3CCCC3 1 1.723 6 0 0 5.66599834797584e-002 3158865 COCCNC(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)CC3=CC=CO3 1 1.505 2 4 0 -21.3528734556481 3158860 C1CCC(CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.826 2 3 -15.822678382646 3158857 C1CCC(C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.369 2 3 -15.4682098684779 3158856 C1C(=O)N(C(S1)C2=CC=C(C=C2)C(=O)O)CC3=CC=CO3 1 2.057 1 4 -12.8957607959664 3158855 CCNC(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)CC3=CC=CO3 1 1.984 2 3 0 -18.3205816924381 3158853 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.249 3 5 0 -13.3137570043903 3158842 C1=CSC(=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)F 1 2.892 1 4 -18.8092076912318 3158837 CC1=CC(=C(C=C1)OCC(=O)C2=CC=CC=C2)N3C(=O)CCCC3=O 1 3.172 1 4 -11.3922395967667 3158817 C1C(OC2=CC=CC=C2O1)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4 1 3.229 2 3 -6.35461148180934 3158809 CCOC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=C(C=C3)OC)S)C#N)OC 1 3.982 3 4 0 -10.6394529577948 3158805 COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC(=C(C=C3)OC)OC 1 3.633 3 4 0 -9.13584386056633 3158801 CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC(=C(C=C3)OC(C)C)OC 1 4.862 3 3 -9.3044471960461 3158800 CCOC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=C(C=C3)C)S)C#N)OC 1 4.484 3 3 -10.3952595975601 3158798 CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC(=C(C=C3)OC)OC 1 4.136 3 3 -8.89165050033163 3158797 CC1=CC(=CC=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CS3 1 4.127 3 1 -6.00574319883657 3158796 CC1=CC(=CC=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CO3 1 3.569 3 2 -6.67534613121529 3158794 CCOC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC(=C3)C)S)C#N)OC 1 4.484 3 3 -8.90959110854975 3158792 CC1=CC(=CC=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC(=C(C=C3)OC)OC 1 4.136 3 3 -7.40598201132126 3158791 CC1=CC=CC=C1N2C(NC(=O)C(=C2S)C#N)C3=CC=CO3 1 3.569 3 2 -7.12333513146466 3158778 COC1=CC=C(C=C1)OCC(CN2C=C(N=C2)C3=CC=C(C=C3)Br)O 1 3.723 2 3 3.62780596524343 3158775 CC1=NC=CN1CC(COC2=CC=C(C=C2)NC(=O)C)O 1 0.425 3 3 0 -4.20417120441985 3158774 CCCC1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)NC(=O)C)O 1 3.177 3 3 -3.43007215000941 3158772 CCC1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)NC(=O)C)O 1 2.721 3 3 -2.0679961783833 3158771 CC1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)NC(=O)C)O 1 2.054 3 3 -1.33156565987183 3158769 CC1=CC(=NC(=N1)N)OCC#N 1 0.361 4 1 0 -5.58255464118568 3158768 C1CCN(CC1)C2=NC(=NC(=N2)OCC#N)N3CCCCC3 1 2.141 6 1 0 -3.25667079969452 3158763 CC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2C=NC(=N2)[N+](=O)[O-] 1 1.818 4 5 0 -6.88229576021469 3158760 CCOC1=CC=CC=C1NC(=O)CC2C(=O)N(C(=N)S2)C3=CC=CC=C3 1 3.234 3 3 -13.8045636223608 3158759 COC1=CC=C(C=C1)C2C(NN=C2C(=O)OC)C(=O)C3=CC=CO3 1 1.864 2 5 0 -6.68762149221193 3158631 CC1=CC=C(C=C1)N(C(C)C(=O)N2CCCC2)S(=O)(=O)C 1 1.644 2 3 0 -8.4224955929811 3158629 CCN(CC)C(=O)CN(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C 1 0.678 2 5 0 -15.2246682371178 3158628 CC(C(=O)NCCCOC)N1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 1.077 2 4 0 -12.2166426507698 3158622 CN(C)S(=O)(=O)N1CCN(CC1)S(=O)(=O)N2CCOCC2 1 -2.753 4 5 0 -22.9758478210703 3158621 CC(=O)NC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3Cl)O 1 2.855 3 3 -3.91773001999527 3158619 CC(=O)NC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)F)O 1 2.396 3 3 -3.91374169632709 3158617 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3Cl 1 3.233 3 2 -0.79358991374043 3158616 CC(C)C(C(=O)O)NS(=O)(=O)C1=C2C=CC=C3C2=C(C=C1)NC3=O 1 1.412 2 5 0 -27.1981199534371 3158615 C1CC(N(C1)S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)NC4=O)C(=O)O 1 0.888 2 5 0 -18.6146649831969 3158614 CN1C2=C3C(=C(C=C2)S(=O)(=O)N4CCCC4C(=O)O)C=CC=C3C1=O 1 1.093 2 5 0 -11.1659082533744 3158610 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NC(CC4=CC=CC=C4)C(=O)O)C=CC=C3C1=O 1 2.68 2 5 0 -18.0236167758145 3158604 CN1C2=C3C(=C(C=C2)S(=O)(=O)NCCOC)C=CC=C3C1=O 1 0.679 2 4 0 -11.7390571897067 3158599 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 1.187 3 3 0 -13.0973726138007 3158594 CC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 1.666 3 3 0 -13.2175388770389 3158592 COC1=CC=C(C=C1)C2NC(=O)CS2 1 1.44 1 2 0 -8.01818640820697 3158590 C1=CC(=CN=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)Br 1 2.446 4 2 -12.9045391773856 3158579 CC1=CC=C(C=C1)C(=O)C(C)OC2=CC=CC(=C2)NC(=O)C3=CC=CO3 1 4.219 1 4 -7.18709663190197 3158577 CC(C(=O)C1=CC=CC=C1)OC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC 1 2.68 1 5 -10.1483790963935 3158574 CC1=CC=C(C=C1)C(=O)COC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC 1 2.682 1 5 -12.3311638087619 3158573 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C)C 1 1.511 1 4 0 -9.83975050961308 3158571 CC(C)(C)C(=O)COC(=O)C1CC(=O)N(C1)C2=CC=CC=C2 1 2.085 1 4 -11.6463474537776 3158570 CC(C)(C)C(=O)COC(=O)CCC1=NC2=CC=CC=C2NC1=O 1 2.032 2 4 -20.5260553949843 3158569 C1=CC=C2C(=C1)C=CC=C2C(=O)COC(=O)CCC3=NC4=CC=CC=C4NC3=O 1 3.068 2 4 -16.4831554993257 3158566 C1=CC=C2C(=C1)NC(=O)C(=N2)CCC(=O)OCC(=O)C3=CC=C(C=C3)Cl 1 2.824 2 4 -19.3082529940149 3158564 C1=COC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)Cl 1 2.06 1 5 -12.7702006482095 3158563 CCC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=CS2 1 2.896 1 4 -16.3886541133371 3158562 C1=CSC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)Cl 1 2.618 1 4 -14.3272172869712 3158561 CC1=C(C=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=CS2)C 1 2.926 1 4 -16.0880990608145 3158560 CC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=CS2 1 2.44 1 4 -16.1492159775581 3158556 C1=CC=C(C(=C1)COC(=O)CNC(=O)CNC(=O)C2=CC=CO2)Cl 1 1.448 2 5 0 -14.4194852664854 3158554 C1=CC=C(C(=C1)COC(=O)CNC(=O)CNC(=O)C2=CC=CS2)Cl 1 2.006 2 4 -15.9765019052471 3158502 C1OC2=C(O1)C=C(C=C2)CN3C(C(C3=O)OC4=CC=CC=C4)C5=CC=CS5 1 3.843 1 4 -5.94576044430493 3158552 C1=COC(=C1)C(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)F 1 0.989 2 5 0 -13.9379720808171 3158551 C1=CSC(=C1)C(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)F 1 1.547 2 4 0 -15.4949887195789 3158547 COC1=C(C=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=CS2)Br 1 2.686 1 5 -16.9580163162659 3158546 C1=CC(=CC(=C1)Cl)COC(=O)CNC(=O)CNC(=O)C2=CC=CO2 1 1.448 2 5 0 -12.6567345785617 3158545 C1=CC(=CC(=C1)Cl)COC(=O)CNC(=O)CNC(=O)C2=CC=CS2 1 2.006 2 4 -14.2137512173235 3158541 C1=CC(=C(C(=C1)Cl)COC(=O)CNC(=O)CNC(=O)C2=CC=CS2)Cl 1 2.67 2 4 -17.7853609562328 3158538 CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.808 1 4 -11.968369853055 3158536 C1=CC=C(C(=C1)C(=O)COC(=O)CNC(=O)C2=CC=CO2)Cl 1 2.06 1 5 -12.5032737159582 3158535 C1=CC=C2C=C(C=CC2=C1)C(=O)COC(=O)CNC(=O)C3=CC=CO3 1 2.304 1 5 -12.0021510221392 3158534 C1=CSC(=C1)C(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)Br 1 2.09 2 4 -15.8415267995588 3158533 C1=COC(=C1)C(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)Cl 1 1.448 2 5 0 -12.8278504156956 3158529 CCCN1C(=NN=N1)NCC2=C(C=CC(=C2)Br)OC 1 2.206 5 1 -16.7158113585675 3158485 COC1=C(C=C(C=C1)C2CC(=O)NC3=CC(=C(C=C23)OC)OC)Br 1 3.258 1 4 -8.02684320602715 3158484 COC1=C(C(=C(C=C1)C2CC(=O)NC3=CC(=C(C=C23)OC)OC)OC)OC 1 2.477 1 6 0 -11.2197136074262 3158482 COC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CC=C(C=C3)Br)OC 1 3.275 1 3 -7.75937307623525 3158480 COC1=CC=CC(=C1)C2CC(=O)NC3=CC(=C(C=C23)OC)OC 1 2.51 1 4 -6.55885199734617 3158437 COC1=CC=C(C=C1)OC2C(N(C2=O)CC3=CC=C(C=C3)F)C4=CC(=C(C=C4)OC)OC 1 4.385 1 5 -5.12933022002713 3158430 CC1(CC2=C(C(C3=CC4=C(C=C3N2)OCO4)C5=CC=C(C=C5)F)C(=O)C1)C 1 4.066 1 3 -19.1568622150434 3158429 CC1(CC2=C(C(C3=CC4=C(C=C3N2)OCO4)C5=CC=C(C=C5)OC)C(=O)C1)C 1 3.844 1 4 -20.2817054496528 3158426 CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)N4CCOCC4)C)O 1 1.446 2 5 0 -33.4517127426667 3158412 COC1=CC=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC(=C(C=C3)O)OC)C(=O)OC 1 2.689 1 7 0 -8.35278644773252 3158403 C1CC2=CC3=C(C=C2C1)NC(=O)CC3C4=CC=CC=C4F 1 3.822 1 1 -6.78316735740117 3158385 CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(S4)C)C(=O)C1C(=O)OC 1 3.456 2 3 -18.241312767099 3158364 COC1=CC=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-] 1 1.363 2 4 0 -8.67020039733909 3158354 CCOC1=CC=CC=C1C2C(CCC(=O)N2)[N+](=O)[O-] 1 1.712 2 4 0 -13.3799724044525 3158336 CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NNC(=N3)N)C 1 1.381 6 1 0 -9.43991504417068 3158334 CC1=C(SC(=C1C#N)NC(=O)CSC2=NN=C(S2)N)C 1 1.574 5 1 0 -21.1914233782592 3158320 CC1=NN=C(S1)NC2=C3C=CC=CC3=NC4=CC=CC=C42 1 3 4 0 1.76943548316892 3158309 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCCOC 1 2.291 4 3 0 -24.136574936741 3158307 CCCC(C)C1=NN=C(S1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 2.775 3 3 -14.519670284182 3158306 CCC(=O)NC1=NN=C(S1)SCCOC 1 1.043 3 2 0 -15.491744773865 3158305 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCCO2 1 0.887 2 4 0 -13.4210967624943 3158303 CCOCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCCO2 1 0.305 2 5 0 -16.3491076361149 3158292 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F 1 2.09 2 4 -12.9450355875274 3158290 CCCC1=NN=C(S1)NC(=O)CC(C)C2=CC=CC=C2 1 3.215 3 1 -11.9011832831168 3158289 CC(C)(C)C(=O)N1CCN(CC1)C(=O)C2=CC=CO2 1 1.402 2 3 0 -8.43972558601735 3158288 CC(C)(C)C(=O)NC1=NN=C(S1)SCCOC 1 1.923 3 2 0 -21.1996060448647 3158287 COCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCCO2 1 -4.4e-002 2 5 0 -15.320721833147 3158282 CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.473 2 3 -9.74698508751264 3158281 COCCSC1=NN=C(S1)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 2.043 3 4 0 -20.5419610326981 3158275 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3 1 1.652 2 6 0 -15.916838002513 3158274 CC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCCOC 1 1.161 4 3 0 -19.3339198835421 3158266 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 2.09 2 4 -13.0576916753515 3158263 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 2.09 2 4 -15.2074140928131 3158261 COCCSC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)F 1 1.949 3 3 0 -12.7084008970501 3158260 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 1.793 2 5 0 -6.90618166196421 3158259 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3 1 1.571 2 6 0 -8.0310248965736 3158258 CC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)SCCOC 1 2.23 3 3 -13.4202779225154 3158257 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3 1 2.073 2 5 0 -7.61805868742946 3158244 COCCSC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCO3 1 2.793 1 4 -12.3439276135022 3158236 COCCSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 3.267 2 3 -9.08525378460488 3158234 CC1=CC(=NC=C1)NC(=O)CC2=C(C=CC=C2Cl)F 1 3.394 2 1 -6.01767735837745 3158224 CCOCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)Cl)OC 1 2.082 3 3 -11.2044311187888 3158222 CCOCC1=NN=C(S1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.385 3 5 0 -16.483856470685 3158219 CCOCC1=NN=C(S1)NC(=O)C 1 -0.23 3 2 0 -11.4476020501616 3158217 CCOCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)OC 1 1.418 3 3 0 -13.4764457805283 3158210 CC1=NN=C(S1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 0.734 3 3 0 -14.1743402507663 3158199 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NCCOC 1 2.495 4 2 -13.0451313959859 3158191 CCN1C(=C(C(=N1)C)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=CC=C4)C 1 3.143 6 1 0 -8.97695723047256 3158184 COCCNC(=O)C1=C2N=C(C=C(N2N=C1)C(F)F)C3=CC=CC=C3 1 2.009 4 2 -13.5196478123011 3158169 C1CC(OC1)CNC(=O)C2=NOC(=C2)C3=C(C=C(C=C3)Cl)Cl 1 3.418 2 3 -7.40206902955553 3158158 CN(C1CCCCC1)C(=O)C2=NOC(=C2)C3=CC=CC=C3 1 3.794 2 2 -3.27598515943276 3158127 CN1C(=C(C=N1)C#N)NC(=O)C2CC(=NO2)C3=CC=C(C=C3)Cl 1 1.7 5 2 0 -6.73311936842478 3158125 C1CN(CCN1C(=O)C2CC(=NO2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4 1 1.952 3 4 0 -7.96171974905111 3158124 C1C(ON=C1C2=CC=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.821 2 4 -7.11515405943022 3158111 C1C(ON=C1C2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CS3 1 2.793 2 2 -8.26815196438224 3158108 C1C(ON=C1C2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CO3 1 2.235 2 3 -7.57338679674764 3158105 COC1=CC=C(C=C1)NC(=O)C2CC(=NO2)C3=CC=C(C=C3)Cl 1 3.03 2 3 -2.58467517325535 3158104 COC1=CC(=CC(=C1OC)OC)NC(=O)C2CC(=NO2)C3=CC=C(C=C3)Cl 1 2.997 2 5 0 -7.19273516436667 3158103 CC1=CC(=NO1)NC(=O)C2CC(=NO2)C3=CC=C(C=C3)Cl 1 2.185 3 3 -11.2428512898823 3158099 COC1=C(C=C(C=C1)NC(=O)C2CC(=NO2)C3=CC=C(C=C3)Cl)OC 1 3.013 2 4 -7.50182771314414 3158098 C1C(ON=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.814 2 4 -5.12827852937309 3158096 C1C(ON=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)O 1 2.804 2 3 0.360053870370426 3158094 C1CC2=C(C1)SC(=C2C#N)NC(=O)C3CC(=NO3)C4=CC=CC=C4Cl 1 3.639 3 2 -17.186915818824 3158091 CN1C(=C(C=N1)C#N)NC(=O)C2CC(=NO2)C3=CC=CC=C3Cl 1 1.7 5 2 0 -7.70437064272309 3158089 C1C(ON=C1C2=CC=CC=C2Cl)C(=O)NCC3=CC=CC=N3 1 2.118 3 2 -8.76431798696359 3158083 COC1=CC=C(C=C1)NC(=O)C2CC(=NO2)C3=CC=CC=C3Cl 1 3.03 2 3 -3.55592644755367 3158082 COC1=CC(=CC(=C1OC)OC)NC(=O)C2CC(=NO2)C3=CC=CC=C3Cl 1 2.997 2 5 0 -8.16398643866498 3158079 C1C(ON=C1C2=CC=CC=C2Cl)C(=O)NC3=C(C=CC(=C3)Br)O 1 3.553 2 3 2.12229996068673 3158076 CC(C)N1C=C(C=N1)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br 1 2.506 4 2 -1.97323120001762 3158067 COC1=CC(=CC(=C1OC)OC)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br 1 3.081 2 5 0 -6.36137800348298 3158066 COC1=C(C=C(C=C1)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br)OC 1 3.097 2 4 -6.67047055226045 3158065 CC1=CC(=C(C=C1)O)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br 1 3.374 2 3 2.44427013031544 3158064 C1C(ON=C1C2=CC(=CC=C2)Br)C(=O)NC3=CC(=CC=C3)O 1 2.888 2 3 0.767643897074697 3158051 C1CC2=C(C1)SC(=C2C#N)NC(=O)C3CC(=NO3)C4=C(C=CC=C4Cl)F 1 3.844 3 2 -20.0264332492522 3158036 COC1=CC=C(C=C1)NC(=O)C2CC(=NO2)C3=C(C=CC=C3Cl)F 1 3.235 2 3 -6.39544387798182 3158035 COC1=CC(=CC(=C1OC)OC)NC(=O)C2CC(=NO2)C3=C(C=CC=C3Cl)F 1 3.203 2 5 0 -11.0035038690931 3158034 COC1=C(C=C(C=C1)Cl)NC(=O)C2CC(=NO2)C3=C(C=CC=C3Cl)F 1 3.9 2 3 -6.54187121487161 3158033 CSC1=CC=CC=C1NC(=O)C2CC(=NO2)C3=C(C=CC=C3Cl)F 1 3.793 2 2 -11.0747339335179 3158032 C1C(ON=C1C2=C(C=CC=C2Cl)F)C(=O)NC3=CC=C(C=C3)Br 1 4 2 2 -5.6171387233523 3158031 C1C(ON=C1C2=C(C=CC=C2Cl)F)C(=O)NC3=C(C=CC(=C3)Br)O 1 3.758 2 3 -0.717217469741418 3158030 C1C(ON=C1C2=C(C=CC=C2Cl)F)C(=O)NC3=C(C=CC(=C3)Cl)O 1 3.674 2 3 -0.998937444576916 3158029 C1C(ON=C1C2=C(C=CC=C2Cl)F)C(=O)NC3=CC(=CC=C3)O 1 3.01 2 3 -3.87448196853546 3158021 CC1=CC(=CC(=C1)OCC(=O)NC2=NOC(=C2)C)C 1 2.561 2 3 -14.2007349093231 3158018 CC(C(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C)OC3=C(C=C(C=C3)Cl)Cl 1 3.642 3 3 -7.97530532259555 3158007 CN1C2=C(C=C(C=C2)S(=O)(=O)NCC(=O)O)N(C1=O)C 1 -0.503 3 5 0 -16.7637926650041 3158006 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCOCCO)N(C1=O)C 1 -0.655 3 5 0 -14.09920441156 3158005 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCOC)N(C1=O)C 1 -0.116 3 4 0 -15.6201589501072 3158004 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCO)N(C1=O)C 1 -0.524 3 4 0 -12.6796469273312 3158003 CCCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=O)N2C)C 1 0.888 3 3 0 -13.9492213578101 3157969 CC(C(=O)NCC1CCCO1)NS(=O)(=O)C2=CC=C(C=C2)Br 1 1.392 2 4 0 -18.6282523764539 3157968 CC(C(=O)NCC1=CC=CO1)NS(=O)(=O)C2=CC=C(C=C2)Br 1 1.798 2 4 0 -16.2026548665273 3157966 CN(CC(=O)NCC1=CC=CC=N1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.563 3 3 0 -16.0490122590233 3157964 CC1=C(C(=O)NN1)C(C2=C(C=CC(=C2)Br)OCC#C)C3=C(NNC3=O)C 1 1.733 4 3 0 -7.17856879433468 3157962 CC1=C(C(=O)NN1)C(C2=C(C=CC(=C2)OC)OCC#C)C3=C(NNC3=O)C 1 0.968 4 4 0 -8.93719662369585 3157955 C1=CC=C(C=C1)CNCCNC(=O)C2=NON=C2N 1 0.249 5 2 0 -13.7139004292608 3157952 CCOC1=C(C=CC(=C1)CNC2=CC3=C(C=C2)NC(=O)N3)OCC=C 1 3.017 3 3 -19.4840019849737 3157951 COC1=C(C=CC(=C1)CNC2=CC3=C(C=C2)NC(=O)N3)OCC=C 1 2.669 3 3 -18.8002713215456 3157950 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C(=O)N4C)C)[N+](=O)[O-] 1 2.528 5 4 0 -9.33036415014377 3157948 CC1(CC2=C(C(C(=C(N2C3=CN=CC=C3)N)C#N)C4=CC(=C(C=C4)O)OC)C(=O)C1)C 1 2.656 4 3 0 -20.2278518914749 3157946 COC1=C(C=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N)O 1 2.198 4 3 0 -18.7130711286003 3157945 CC1=CC(=C(S1)C)C2C(=C(OC(=C2C(=O)OC)C)N)C#N 1 1.567 2 3 0 -10.7822901957766 3157944 CC1=CC(=C(S1)C)C2C(=C(OC3=C2C(=O)CCC3)N)C#N 1 1.805 2 2 0 -14.2584376589907 3157940 CC(C(=O)O)N1C(=O)C2=CC=CC=C2C=N1 1 1.024 2 3 0 -5.29117496021881 3157935 CC1=CC=C(C=C1)C2=NN(C(O2)C3=CN=CC=C3)C(=O)C 1 2.258 3 2 -4.16581859030428 3157934 CC(=O)N1C(OC(=N1)C2=CC=CC=C2)C3=CN=CC=C3 1 1.772 3 2 0 -4.73772923314426 3157932 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=NC4=CC=CC=C4N3 1 3.283 3 2 0.666977628422699 3157930 CS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C 1 1.221 3 6 0 -4.48590351403966 3157929 CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC4=C(C=C3)OCO4 1 1.431 3 5 0 -8.44192280999499 3157921 CC1CN(CN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)C 1 1.009 2 3 0 -17.2509447774844 3157920 CC1CN(CN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)C 1 0.8 2 4 0 -17.1109805365699 3157918 CC1=CC=C(C=C1)S(=O)(=O)NCC(C)NC(=O)CN2CCOCC2 1 0.491 3 4 0 -15.2710033755651 3157916 CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)CN2CCOCC2 1 0.113 3 4 0 -15.4346603370402 3157915 C1C(CC(=O)N(C1=O)CC(=O)O)C2=CC=CC=C2 1 0.635 1 4 0 -10.283194868307 3157898 CC1=CC(=CC=C1)OCCCN2C3=CC=CC=C3SC2=O 1 4.285 1 2 3.84960988051373 3157897 CC1=CC=CC=C1OCCCN2C3=CC=CC=C3SC2=O 1 4.285 1 2 3.02516660431323 3157896 C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3SC2=O 1 3.798 1 2 2.19851430891851 3157895 CCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC=CC=C4)C 1 3.473 3 2 -17.3428000830679 3157891 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C3=CC=C(C=C3)Cl)C 1 3.176 2 4 -22.9777796195299 3157890 CC1=C(C(NC(=O)N1)C2=CC=C(O2)C3=CC=C(C=C3)Cl)C(=O)OC 1 2.827 2 4 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CC1CCC2=C(C1)C3=CC=CC=C3N2C(=O)CCl 1 4.281 1 1 -3.21543856967697 3155448 C1CN(C2=CC=CC=C21)C(=N)N=C(N)N 1 0.263 5 0 0 -6.32102062690131 3155443 CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CSC=C3 1 3.198 4 1 -8.97779290455626 3155442 CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CO3 1 2.721 4 2 -9.26540610375475 3155420 C1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CSC=C4 1 3.316 4 1 -9.13467431753877 3155355 CC1=CC(=C(S1)C)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=C(C=C4)Cl 1 4.272 4 1 -4.59069608999545 3155348 C1=CSC(=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=NC=C4 1 2.457 5 1 -9.47224263208903 3155333 COC1=CC(=CC(=C1O)OC)C2C(=C(OC3=NNC(=C23)C4=CC=CS4)N)C#N 1 3.333 4 4 0 -9.42629394515069 3155321 CC1=CC=C(C=C1)C2C(=C(OC3=NNC(=C23)C4=CC=CS4)N)C#N 1 4.094 4 1 -9.89574106226364 3155320 CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C 1 1.022 1 3 0 -1.9334338077128 3155314 CCC1=NC2=CC=CC=C2N1CCOCC 1 2.697 2 1 -3.91482078193933 3155297 C1CNC(=C(C(=C(Cl)Cl)SC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-])N1 1 3.581 3 2 -2.50288298222001 3155294 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CC1=CC(=NO1)NC(=O)CCCC(=O)NCC2=CC=CC=C2 1 1.552 3 3 0 -24.8510604692982 3153689 CC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)C4=CC=NN4 1 4.176 4 2 -9.8608057177981 3153683 CC1=CC(=NO1)NC(=O)CCCC(=O)N(C2=CC=CC=C2)C(C3=CC=CS3)C(=O)NC4CCCCC4 1 4.341 4 4 0 -27.7023085156652 3153681 CCCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC(C)C 1 2.193 3 5 0 -26.7704404773215 3153675 COC1=C(C=C(C=C1)C(C(=O)NC2CCCC2)N(CC3=CC=C(C=C3)F)C(=O)C4=CC=NN4)OC 1 3.916 4 4 0 -12.513828389374 3153670 C1CCC(C1)NC(=O)C(C2=CC=C(C=C2)F)N(CC3=CC=C(C=C3)F)C(=O)C4=CC=NN4 1 4.154 4 2 -9.18332984854139 3153669 CC1=CC=C(C=C1)CN(C(C2=CC(=C(C=C2)OC)OC)C(=O)NC3CCCC3)C(=O)C4=CC=NN4 1 4.197 4 4 0 -13.2257054148393 3153663 CC1=C(C=C(C=C1)N(C(C2=CC=C(C=C2)OC)C(=O)NC(C)(C)C)C(=O)CCC(=O)NC3=NOC(=C3)C)C 1 3.961 4 5 0 -27.0148773779208 3153662 CC1=CC(=NO1)NC(=O)CCC(=O)N(C2=CC3=C(C=C2)OCCO3)C(C4=CC=C(C=C4)OC)C(=O)NC(C)(C)C 1 2.774 4 7 0 -29.2918429932317 3153661 CCC(C)(C)N(C(C1=CC=C(C=C1)OC)C(=O)NC(C)(C)C)C(=O)CCC(=O)NC2=NOC(=C2)C 1 2.867 4 5 0 -27.1725178129526 3153642 CC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)C(F)(F)F)C 1 5.807 2 2 -8.71776381433949 3153636 CC1=CC(=NO1)NC(=O)CCC(=O)N(C(C2=CC=CC=C2Cl)C(=O)NC(C)(C)C)C(C)(C)C 1 3.024 4 4 0 -26.9056598351884 3153635 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CN=CC=C2)C(C3=CC=CC=C3Cl)C(=O)NC(C)(C)C 1 2.525 5 4 0 -29.807170268027 3153622 COC1=CC(=C(C=C1)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4 1 1.192 6 5 0 -25.1209308959169 3153620 CC1=CC=C(C=C1)NC(=O)N2CCCC(C2)C(=O)O 1 1.875 2 3 0 -6.61663487528896 3153611 COC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.634 2 5 0 -19.8426506398974 3153606 COC1=CC=C(C=C1)N(C(C2=CC=C(C=C2)F)C(=O)NC3CCCC3)C(=O)C4=CC=NN4 1 3.925 4 3 0 -9.28448069291198 3153600 CC(=O)N1CC2=C(CC1C(=O)O)C3=CC=CC=C3N2 1 1.226 2 3 0 -4.81775068996941 3153598 CN1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)O 1 0.509 2 4 0 -5.88761508519417 3153587 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)S2)C3=CC=CC=C3 1 3.18 2 4 -9.93060099404472 3153586 C1=CC=C(C=C1)N2C(=O)C(SC2=O)CC(=O)NC3=CC=CC4=CC=CC=C43 1 3.756 2 3 -9.89617238531125 3153584 CC(=O)NC1=CC=C(C=C1)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-] 1 1.964 5 4 0 -1.67086656929708 3153576 COC1=CC(=C(C=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-])OC 1 2.811 4 5 0 -1.34247382819757 3153513 C1C2CC3CC1CC(C2)(C3)C(=O)NC(C(Cl)(Cl)Cl)N4C=CC(=O)NC4=O 1 2.739 3 3 -15.9412003616287 3153500 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)C(=O)CCC(=O)O 1 2.851 2 5 0 -13.7994546838027 3153499 CS(=O)(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4 1 2.31 2 4 -6.34278727261204 3153498 C1C(N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)O)C3=CC4=C(C=C3)OCO4 1 2.821 2 5 0 -16.2509764392172 3153497 C1C(N(N=C1C2=CC=CC=C2)C(=O)CCC(=O)O)C3=CC4=C(C=C3)OCO4 1 2.365 2 5 0 -14.2739711001179 3153496 COC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CO4 1 3.035 3 5 0 -7.21797119626599 3153495 COC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CO4)Cl 1 3.035 3 5 0 -8.47467460883593 3153494 CC1=CC=CC2=CC(=C(N=C12)Cl)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CO4 1 3.538 3 4 0 -8.60601558587015 3153492 CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CO4)Cl 1 3.538 3 4 0 -6.68986268760395 3153491 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C 1 2.372 2 3 -8.6739340804265 3153487 C1C(N(N=C1C2=CC=CO2)C(=O)CCC(=O)O)C3=CC=CS3 1 1.839 2 4 0 -13.0186945827727 3153483 C1C(N(N=C1C2=CC=CO2)C(=O)CCCC(=O)O)C3=CC=CO3 1 1.737 2 5 0 -15.8878038792712 3153482 C1C(N(N=C1C2=CC=CO2)C(=O)CCC(=O)O)C3=CC=CO3 1 1.28 2 5 0 -13.9107985401719 3153481 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)C4CCCO4 1 2.859 2 3 -17.9647981210006 3153479 CCOCCCNC(C1=CC=CC=C1)C2=CC=NC=C2 1 2.109 2 1 -5.39951852976781 3153462 CCN(CC)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CO3 1 3.469 5 2 0 -9.70306907850311 3153461 CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CO3)C 1 3.581 4 2 -7.51073793561092 3153460 CC(C1=CC=CC=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.412 2 4 -23.2606101081058 3153457 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3148957 CC(C)(COC(=O)NC1=CC=CC=C1)COC(=O)NC2=CC=CC=C2 1 3.92 2 4 -2.7894833329408 3148954 C1=CC=C(C=C1)OCC(CNCC2=CC=CO2)O 1 1.67 1 3 0 -2.43024772603856 3148952 C1=CC=C(C=C1)CN2C3=CC=CC=C3C(C2=O)(CC(=O)O)O 1 1.649 1 4 0 -7.87586378113037 3148946 COC1=CC=CC=C1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COC2=CC=CC=C2OC 1 0.558 4 8 0 -15.2339179234943 3148944 CCC(C(=O)O)SC1=NC(=CC(=N1)N)N 1 1.188 4 2 0 -9.0630051094963 3148885 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CCCC3=CC=CC=C3 1 1.599 5 3 0 -15.2243779616438 3148884 CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CCOC 1 0.206 5 4 0 -15.0997920573634 3148877 CCCCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C 1 2.269 4 4 0 -17.8241325612264 3148875 CCCCCN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)NC2=O)C 1 2.628 4 3 0 -11.1271952355138 3148858 COC1=CC=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3 1 2.17 2 4 -16.4656909108963 3148856 CC1=C(C(=CC=C1)C)OCCNC(=O)C(=O)NCC2=CC=CO2 1 2.097 2 4 -12.8052605932839 3148855 C1=CC(=CC=C1CN2C(=O)C(C(=O)NC2=O)(CCC3=CC=NC=C3)CCC4=CC=NC=C4)F 1 3.415 4 3 0 -7.70932595965831e-002 3148853 C1CCC(CC1)N2C(=O)C(C(=O)NC2=O)(CCC3=CC=NC=C3)CCC4=CC=NC=C4 1 3.484 4 3 0 -3.74438298502867 3148850 CCOC1=CC=C(C=C1)CC2(C(=O)NC(=O)NC2=O)CCC3=CC=NC=C3 1 2.447 3 4 0 -2.895113427159 3148848 COC1=C(C=C(C=C1)CC2(C(=O)NC(=O)NC2=O)CCC3=CC=NC=C3)OC 1 2.081 3 5 0 -6.40256903739385 3148847 CN1C(=O)C(C(=O)N(C1=O)C)(CCC2=CC=NC=C2)CC3=CC(=C(C(=C3)OC)OC)OC 1 2.477 3 6 0 -4.85899000380581 3148843 CN1C(=NC(=N1)[N+](=O)[O-])S(=O)(=O)C 1 0.278 4 4 0 -8.98553095810074 3148839 CC1=CC(=C(C(=O)N1CCCO)C#N)C 1 0.204 2 2 0 -4.56934825312238 3148823 CC1CCCN(C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.227 3 3 -19.0022798747057 3148816 C1CC(OC1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3 1 1.463 2 4 0 -14.0813836744632 3148797 CC1=C(C=CC(=C1)NC(=O)C)OCC(CN2C3=CC=CC=C3C4=CC=CC=C42)O 1 4.257 2 3 -1.03038554336372 3148784 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NN4C=CC=NC4=N3 1 2.427 6 1 0 -20.746342386243 3148623 CC1=CC(=NC(=N1)SC2CC(=O)N(C2=O)C3=CC=CC=C3OC)C 1 2.358 3 3 -4.26141391709233 3148618 C1CCC(C(C1)NS(=O)(=O)C2=CC=CC=C2)SC3=NC=CC=N3 1 3.104 3 2 -7.39924272104929 3148604 C1CCC(CC1)NC(=O)CCCCCCN2C(=O)C3=CC=CC=C3C2=O 1 3.718 2 3 -12.824548472856 3148603 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCC(=O)NC3=NC=CS3 1 2.433 3 3 -11.4027501206796 3148600 C1CN(CC1C2=CC=CC=C2)C(=O)CCCCCCN3C(=O)C4=CC=CC=C4C3=O 1 3.878 2 3 -7.89719006781875 3148587 CC(C)N(CCO)CC#CCC(C1CCCC1)(C2=CC=CC=C2)O 1 4.08 1 2 -0.308404451303481 3148586 CC(C)(C)N(CCO)CC#CCC(C1CCCC1)(C2=CC=CC=C2)O 1 4.285 1 2 -0.6439940284334 3148582 CN1C(=O)CSC1=NC2=CC=C(C=C2)C(=O)OC 1 1.943 2 3 0 -7.82230317443614 3148581 CCN1C(=O)CSC1=NC2=CC=C(C=C2)OCC 1 2.769 2 2 -6.30305331812587 3148558 CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)NC2CCS(=O)(=O)C2)[N+](=O)[O-] 1 0.359 2 7 0 -24.8676673521243 3148555 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NCC3CCCO3 1 2.34 1 4 -12.5792491127683 3148553 CC1=CC=CC(=C1)C2=NC(=O)C3=CC=CC=C3N2 1 2.979 2 1 -1.22097200443256 3148550 CCOC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC(=C(C=C3)C)C 1 3.289 2 3 -3.43102630291368 3148504 COC1=CC=C(C=C1)NCC2=CSC=C2 1 2.867 1 1 -1.83856032160456 3148503 CCOC1=CC=C(C=C1)NC(=O)C(=O)NCCCN2C=CN=C2 1 0.44 4 3 0 -10.2139423307678 3148502 C1CC1NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 1.004 2 2 0 -9.32888915848433 3148497 C1CNCCC1CNC(=O)C(=O)NCCC2=CC=CC=C2 1 0.785 3 2 0 -15.6000299691056 3148494 C1=CC(=C(C=C1C(=O)NCCNC(=O)C2=NON=C2N)Cl)Cl 1 1.248 5 3 0 -13.6855851354051 3148471 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)N5CCC(CC5)C(=O)N 1 2.985 4 3 0 10.5456552810159 3148448 CCOC(=O)C1CCCN(C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)NC(=O)C 1 0.947 3 5 0 -5.55473094050789 3148420 C1CC2COC(C(=O)N2C1)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 0.538 3 5 0 -9.52774063441561 3148412 CCN1CCOC(C1=O)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 0.397 3 5 0 -15.2858952264402 3148390 CC(COC)NC(=O)CCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)OC 1 3.97 3 3 -13.7799692214967 3148388 COCCNC(=O)CCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)OC 1 3.592 3 3 -12.8865404528047 3148374 C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)C(=O)NCC(CO)O 1 1.481 2 3 0 -1.47905527047704 3148371 C1CN2CCC1C(C2)C(=O)C3=CC=CS3 1 2.125 1 1 -0.293891415284141 3148357 CNCC(COC1=CC=CC=C1)O 1 0.905 1 2 0 -2.6091150696968 3148351 CC(=O)C1CCC2C1(CC(C3C2CCC4C3(C(=O)CC5(C4)OCCO5)C)O)C 1 1.825 0 5 0 -12.370183162983 3148349 CC(=O)C1CCC2C1(CC(C3C2CCC4C3(C(=O)CC5(C4)OCCO5)C)OC(=O)C)C 1 2.205 0 6 -16.0147625078197 3148348 CN1C(=C(C(=N1)C(=O)NC2=CC=CC=C2OC)[N+](=O)[O-])C(=O)NC3=CC=CC=C3OC 1 2.63 5 6 0 -9.37871204960306 3148328 C1CCC2C(=NN(C2(C(F)(F)F)O)C(=O)C3=CC=CO3)CC1 1 2.841 2 3 -3.32027826992677 3148327 CC(C)CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CO2 1 3.002 2 3 -0.81109441458018 3148318 C1CC1C(=O)N2C(CC(=N2)C3=CC=NC=C3)(C(F)(F)F)O 1 1.393 3 2 0 -1.71692492317856 3148317 C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CO2)C3=CC=NC=C3 1 1.694 3 3 0 1.7169105746104 3148316 C1CC1C(=O)N2C(CC(=N2)C3=CC=C(C=C3)F)(C(F)(F)F)O 1 2.749 2 2 -0.626628138333783 3148306 CC(C1=CC=CC=C1)NC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4 1 5.468 3 3 -12.3500092797695 3148178 C1CC(=O)N(C1)CCCNC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CO4)C(F)(F)F 1 2.168 5 3 0 -26.5034785539611 3148176 C1COCCN1CCCNC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CO4)C(F)(F)F 1 2.341 5 3 0 -15.1157855623687 3148161 CC1=C(C(=NN1C)C)NC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 4.11 5 2 0 -5.93018787845698 3148158 CCN1C(=C(C=N1)CNC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3)C 1 4.183 5 2 0 -11.493391886332 3148152 COC1=CC(=CC(=C1OC)OC)NC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 4.983 3 5 0 -10.1636124651372 3148148 COC1=C(C=C(C=C1)NC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3)OC 1 5 3 4 0 -10.4727050139146 3148129 C1CC(OC1)CNC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 3.815 3 3 -14.7682477095301 3148116 CCN1C=C(C=N1)CNC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 3.717 5 2 0 -12.6243328419998 3148114 CC(C1=CC=CC=C1)NC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 5.095 3 2 -10.8662545642491 3148097 C1CC(CCC1C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)N4C(=O)C5CC=CCC5C4=O 1 3.456 3 3 -6.97799498480693 3148096 C1CC(OC1)CNC(=O)C2CCC(CC2)N3C(=O)C4=CC=CC=C4C3=O 1 1.842 2 4 0 -20.0244451136372 3148090 CC1=C(C(=O)NN1)C(C2=CC(=C(C(=C2)OC)OC)OC)C3=C(NNC3=O)C 1 -0.24 4 5 0 -10.5528314968518 3148085 CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)N(C)C)Br)C3=C(NNC3=O)C 1 0.72 5 2 0 -9.55320575426057 3148083 CCC(=O)N1C2=C(C=C(C=C2)C)C3=NNC(=S)NC31O 1 2.806 4 2 -9.28742174209 3148068 CC1=NN=C(S1)NC(=O)CCCOC2=CC=CC=C2 1 1.754 3 2 0 -14.1302732061597 3148066 C1=CC=C(C=C1)OCCCC(=O)NC2=CN=CC=C2 1 1.868 2 2 0 -7.79512094380944 3148065 CC1=CC(=NC=C1)NC(=O)CCCOC2=CC=CC=C2 1 2.894 2 2 -6.25505584097233 3148062 CC(CC(=O)NC1=NC=C(S1)[N+](=O)[O-])C2=CC=CC=C2 1 2.373 3 3 -3.47900501996756 3148061 CC(CC(=O)NCC1=CN=CC=C1)C2=CC=CC=C2 1 2.213 2 1 -12.0229597536769 3148058 C1CC(OC1)CNC(=O)CC2=CC=C(C=C2)F 1 1.637 1 2 0 -12.4909339080141 3148047 CC1=C(C=CC(=C1)Cl)OCCCC(=O)NCCCN2C=CN=C2 1 2.397 3 2 -6.43388553302742 3148040 CC1=CC(=NC=C1)NC(=O)CCCOC2=C(C=C(C=C2)Cl)C 1 4.044 2 2 -1.99872042111611 3148033 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NC=C(S3)[N+](=O)[O-] 1 2.177 4 4 0 -6.61990087565861 3148029 C1CCC(CC1)C(=O)NC2CCSC2=O 1 1.781 1 2 0 -10.948751960619 3148028 C1=CC(=CC=C1OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])Cl 1 2.13 3 4 0 -0.797758627044761 3148026 CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 3.4 4 4 0 -9.50309680576041 3148020 CCC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 2.02 3 3 -14.2637475025808 3148017 CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.798 4 3 0 -15.5625720040286 3148016 CCCCC(CC)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 3.389 3 3 -13.1502189107789 3148015 CCN1CCN(CC1)C(=O)N2CCOCC2 1 -0.225 3 2 0 -5.38612216692589 3148009 CC(C)(C)C1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.663 3 3 -10.1204436880045 3148002 CC(C)CC(C(=O)O)NC(=O)C(C(C)C)NC(=O)C1C2C(C3C(O1)OC(O3)(C)C)OC(O2)(C)C 1 0.246 2 9 0 -39.9589208498333 3148001 CC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C1C2C(C3C(O1)OC(O3)(C)C)OC(O2)(C)C 1 -0.142 2 9 0 -34.6998326853232 3147997 CN(C)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F 1 2.953 4 1 -3.03792175954076 3147994 CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=NN3C 1 1.518 5 1 0 -21.100004187085 3147990 CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.678 2 3 -20.5034701763342 3147984 CCN(CC)C(=O)CSC1=NC2=C(C3=CC=CC=C3N2C)N=N1 1 2.936 5 1 -18.5654165997676 3147975 CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=CC=C4F 1 3.815 5 1 -15.508441675038 3147962 CC(C)(C)NC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.531 4 1 -13.7970006100647 3147955 CCC1CCCCN1C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 3.961 3 2 -12.6573504781827 3147903 CN(C)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O 1 2.859 2 4 -3.35810482721403 3147898 CCN=C1N(C(=O)C(S1)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)CC 1 2.079 4 3 0 -11.4543038165555 3147895 CCN=C1N(C(=O)C(S1)CC(=O)NCC2=CC=CC=C2)CC 1 2.236 3 2 -17.4847393052874 3147886 CC1=C(SC(=C1C(=O)OC)NC(=O)CC2C(=O)N=C(S2)N)C 1 1.393 3 4 0 -19.714786490676 3147878 C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4 1 3.535 2 2 1.83041033175164 3147872 COC1=CC=CC=C1N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 2.946 2 5 0 -20.6894009976386 3147868 C1COCCN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4 1 2.863 3 4 0 -6.77544110884169 3147867 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3COC4=CC=CC=C4O3 1 2.851 2 3 -2.85125586555026 3147861 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3 1 2.629 2 4 -3.66902042419606 3147857 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4 1 2.875 2 5 0 -4.58950232336937 3147854 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSCC2=CC=CO2)C3=CC=C(C=C3)OC 1 3.432 2 5 0 -16.7555803022487 3147845 CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2=CN=CC=C2)S(=O)(=O)C 1 1.249 3 4 0 -9.86423024648978 3147844 CC(C(=O)N1CCC2=CC=CC=C2C1)N(C3=CC=CC=C3)S(=O)(=O)C 1 2.355 2 3 -11.3462785185368 3147843 CC1=CC=C(C=C1)CN(CC(=O)NCC2CCCO2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.921 2 4 -23.4451104413748 3147828 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F)Br 1 5.579 2 2 4.12624536387342 3147814 C1=CC=C(C=C1)CCN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CC=CC=C4O)O 1 3.502 1 4 -4.7540361883188 3147792 CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC(=C(C=C2)O)OC 1 1.403 2 6 0 0.563868820953709 3147791 CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=C(C=C2)O 1 1.419 2 5 0 1.84326918770674 3147788 CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CN=CC=C2 1 0.511 3 4 0 -0.602671035476576 3147779 CCC(C(=O)OC)N1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 3.414 2 3 -11.1075960873926 3147768 CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OC 1 3.613 1 2 -2.81237565490672 3147655 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC)C(=O)OC(C)C 1 2.602 2 7 0 -37.0034802920386 3147645 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OC(=O)C3=CC=CO3)C(=O)OC 1 1.892 2 6 0 -33.1858057159706 3147557 COCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=CC=C3 1 2.208 1 4 -18.9535140481688 3147456 COC1=C(C=CC(=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)Cl)O 1 3.268 2 5 0 8.87316995241635 3147447 CC(C)N1C2C(N(S1(=O)=O)C(C)C)OC(O2)C3OC4C(O3)N(S(=O)(=O)N4C(C)C)C(C)C 1 0.595 4 8 0 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CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC 1 1.862 4 4 0 -23.4169081779677 3147385 CC1CCCCC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC 1 3.343 3 3 -26.7699240183053 3147375 COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)OC)OC 1 2.709 3 5 0 -24.6268958964861 3147374 CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)NC(=O)C 1 3.322 4 3 0 -22.0538886878554 3147356 CC1=NN=C(S1)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 0.978 5 3 0 -18.1647322515313 3147355 CC(C)C1=NN=C(S1)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.108 5 3 0 -17.3372273732698 3147353 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 1.645 5 3 0 -19.3164871973863 3147349 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=CO3)C 1 3.216 3 3 -14.5424721891576 3147348 CC(C1=CC=CC=C1)N2C3=CC=CC=C3N=C2C(C)O 1 3.585 2 1 -3.66822711937486 3147347 CC(C1=CC=CC=C1)N2C3=CC=CC=C3N=C2CO 1 3.101 2 1 0.296796760728097 3147344 CC1=CC=C(O1)C(=O)N2C(CC(=N2)C3=CC=CC=C3)(C(F)(F)F)O 1 2.99 2 3 2.54897600113005 3147340 C1CCC2C(=NN(C2(C(F)(F)F)O)C(=O)C3=CC=NC=C3)CC1 1 2.295 3 2 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C1=CC=C2C(=C1)C3=CC=CC=C3N2C(=O)C4=CC=C(C=C4)N 1 4.23 2 1 2.63251075287455 3147216 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3 1 2.891 6 3 0 -1.60581457948553 3147214 COC(=O)C1=CC=C(C=C1)C(=O)OCC2=NC3=CC4=CC=CC=C4C=C3N2 1 3.741 2 4 -2.84358874457996 3147210 C1=CC2=C(C=C1OC3=CC4=C(C=C3)C(=O)N(C4=O)CC(=O)O)C(=O)N(C2=O)CC(=O)O 1 0.417 2 9 0 -7.57222481764447 3147178 CC(=O)NC1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N2)Cl)[N+](=O)[O-] 1 2.949 4 3 0 -0.63206633071644 3147168 CC1CC2(CCCC2)N(CC3=CC=CC=C13)C(=O)C 1 3.204 1 1 -4.17833540627639 3147167 CC(=O)N(C1=CC=CO1)C(CC=C)C2=CC=CC=C2 1 2.934 1 2 -6.51316025900161 3147155 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=C(C(=CC=C3)OC)OC)C4=C(NN(C4=O)C5=CC=CC=C5)C 1 3.341 4 4 0 -7.22087125827861 3147136 CC1=NN=C(N1CCOC)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 1.144 5 4 0 -23.1299938548548 3147120 C1CCCN(CC1)CC#CC(C2=CC=CC=C2)(C3=CN=CC=C3)O 1 3.645 2 1 4.55903997728593e-003 3147118 CC(C#CCN1CCCCCC1)(C2=CC=CC=C2)O 1 3.561 1 1 1.67125058166672 3147109 CCN(CC)S(=O)(=O)C1=C2C=CC=C3C2=C(C=C1)SC3=O 1 2.713 1 3 -9.96793522296795 3147107 COC1=CC=CC(=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC=CO3 1 2.829 2 4 4.9075661586598 3147101 COC1=CC=CC(=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC(=CC=C3)OC 1 3.417 2 4 3.25331092390749 3147093 CC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC=CO3 1 3.331 2 3 2.37410400005276 3147074 C1CC1C(=O)N2C(CC(=N2)C3=CC=CC=C3)(C(F)(F)F)O 1 2.543 2 2 -1.5342479140514 3147071 C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CC=C2O)C3=CC=CC=C3 1 3.208 2 3 5.79600841148984 3147069 COC1=CC=CC(=C1)C(=O)N2C(CC(=N2)C3=CC=CC=C3)(C(F)(F)F)O 1 3.433 2 3 1.08557650048353 3147068 CC1=CC(=CC(=C1)OCC(=O)N2C(CC(=N2)C(F)(F)F)(C(C)(C)C)O)C 1 4.13 2 3 4.6116667326704 3147067 CC1=CC=CC=C1OCC(=O)N2C(CC(=N2)C(F)(F)F)(C(C)(C)C)O 1 3.644 2 3 5.01193125833607 3147059 C1CCC(CC1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC=CO3 1 3.297 2 3 5.72960216272093e-002 3147058 C1CCC(CC1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3CC3 1 2.996 2 2 -3.5218592016096 3147057 C1CCC(CC1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CN=CC=C3 1 2.752 3 2 -3.17385875987567 3147055 CC(C)CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CO2 1 2.546 2 3 1.71844542946541 3147040 CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CO2 1 2.75 2 3 0.61735924639939 3147033 CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)OC 1 2.917 2 3 0.213457645371057 3147017 C1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=O)C3CC3 1 2.083 2 2 -6.5449649789955 3147001 C1CC(=C(C1)NNC(=O)C2=CC=C(C=C2)Cl)C(=O)C(F)(F)F 1 3.141 2 2 -4.52692352520305 3146993 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)OC 1 1.794 2 3 0 -2.64948164839154 3146990 C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=C3C(=O)NC(=O)NC3=O 1 0.845 3 5 0 -9.30164978221585 3146989 CCC(C(=NNC(=O)CCC(=O)NC1=C(C=C(C=C1)Cl)Cl)C)C(=O)OCC 1 2.958 3 4 0 -11.7424131327886 3146924 C1=CC(=CC(=C1)N)C(=O)NCCNC(=O)C2=CC(=CC=C2)N 1 0.401 4 2 0 -7.27643790625591 3146923 C1CNC(=O)COCCOCCOCCOCC(=O)N1 1 -2.404 2 6 0 -9.47606819854437 3146922 C1CNC(=O)COCCOCCOCC(=O)N1 1 -2.274 2 5 0 -9.47606819854437 3146921 C1=CC=C(C=C1)P(=O)(COCCOCCOCCOCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 1 6.061 0 6 -5.01877094926787 3146920 CCN1C2C(N(C1=O)C(=O)C)N(C(=O)N2C(=O)C)C(=O)C 1 -0.881 4 5 0 -10.3331931540683 3146919 CCCCN1C2C(NC(=O)N2)NC1=O 1 0.129 4 2 0 -9.69390459072008 3146910 C(C(=O)O)N1C2C(NC(=O)N2)NC1=O 1 -1.718 4 4 0 -13.0738983043025 3146896 COC(=O)C1=CC=C(O1)S(=O)(=O)N 1 -9.e-002 1 5 0 -7.59501004284501 3146895 CCCOC(=O)C1=CC=C(O1)S(=O)(=O)N 1 0.782 1 5 0 -7.16093745699059 3146891 CCOC1=NC(=NC(=N1)NCC=C)NC2=CC=C(C=C2)OC 1 2.69 5 2 0 -6.2662520507236 3146890 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)OC)NCCO 1 1.185 5 3 0 -2.69372189562027 3146889 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)OC)NCC=C 1 2.341 5 2 0 -8.51354543961105 3146888 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NCCO 1 1.536 5 2 0 -0.141102073212141 3146887 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NCC=C 1 2.692 5 1 -5.96092561720292 3146885 CCOC1=NC(=NC(=N1)NCCO)NC2=C(C=CC(=C2)Cl)OC 1 2.198 5 3 0 0.489500263355325 3146884 COC1=C(C=C(C=C1)Cl)NC2=NC(=NC(=N2)OC)NCCO 1 1.85 5 3 0 -1.75779312553212 3146883 COC1=C(C=C(C=C1)Cl)NC2=NC(=NC(=N2)OC)NCC=C 1 3.006 5 2 0 -7.57761666952291 3146880 CCOC1=NC(=NC(=N1)NCCO)NC2=CC=CC=C2F 1 1.756 5 2 0 -0.832654859614927 3146879 CCOC1=NC(=NC(=N1)NCC=C)NC2=CC=CC=C2F 1 2.912 5 1 -6.65247840360571 3146878 CCOC1=NC(=NC(=N1)NCC2=CC=CO2)NC3=CC=CC=C3F 1 3.061 5 2 0 -2.56035328104199 3146877 COC1=NC(=NC(=N1)NCCO)NC2=CC=CC=C2F 1 1.407 5 2 0 -3.17767814877677 3146873 CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)Cl)C 1 3.187 4 0 -4.08949036736081 3146872 C1CC2=C(C1)SC3=C2C4=NN=NN4C=N3 1 0.98 5 0 0 -14.5858321433118 3146862 CC1=C(C(NC(=O)N1)C2=CC=CS2)C(=O)NC3=C(C=C(C=C3)OC)OC 1 1.808 3 4 0 -33.7472036946591 3146849 CC(=NO)C1=CC2=C(C=C1)OCCO2 1 1.423 1 3 0 -1.07709798393558 3146836 CCOC(=O)C1=C(NC2=C(C1C3=CC=CS3)C(=O)CC(C2)C4=CC=CS4)C 1 3.227 1 3 -40.4818047798768 3146832 CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCCSC 1 1.446 2 5 0 -34.6609572159541 3146829 CC1=C(C(C2=C(N1)CCCC2=O)C3=CSC=C3)C(=O)OCC(C)C 1 2.963 1 3 -37.4627499758219 3146822 CCN1C2C(N(C1=O)CC)N(C(=O)N2CO)CO 1 -0.999 4 4 0 -5.72443339610988 3146804 C1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=CS3 1 2.708 2 3 0.776434017049239 3146778 COC1=C(C2=C3C(CC24C=CC(=O)C=C4)N(CCC3=C1)C(=O)CCC(=O)O)OC 1 1.595 1 6 0 -12.9215625042397 3146764 CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)F)C3=C(NNC3=O)C 1 1.4e-002 4 2 0 -6.43416858606655 3146754 CC(C)(C)N(CC1=CC=CC=C1)C(=O)C2=CC3=CC=CC=C3O2 1 4.353 1 2 2.13695201225268 3146745 CCOC(=O)C1C(CC(=O)N1)C2=CC=CC=C2 1 1.172 1 3 0 -7.09727865554504 3146667 CCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC=N3)S2 1 3.102 3 2 -8.87092017760246 3146673 CC(C1=CC=CC=C1)NC2=NC=NC3=CC=CC=C32 1 3.224 3 0 2.1557599724568 3146682 CC1CC(=NOC(=O)C2=CC=C(C=C2)F)C(CN1C)C 1 2.684 2 2 0.135674349147105 3146685 CCC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 3.178 1 4 -9.00698680458832 3146686 C1=COC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])Cl 1 2.873 3 6 0 -3.96372787481318 3146698 C1CS(=O)(=O)CC1NC(=O)NC2=CC=CC3=CC=CC=C32 1 1.362 2 3 0 -14.7072848019777 3146657 CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 3.305 3 5 0 -10.8030216647404 3146651 CC1=C(OC2=CC=CC=C12)C(=O)NCCCN3C=CN=C3 1 1.923 3 2 0 2.81869603427076 3146626 CCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3COC4=CC=CC=C4O3 1 3.637 2 4 -18.7023630900236 3146600 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)OCC=C)CC4=CN=CC=C4)O 1 2.959 2 5 0 -20.1086314869947 3146599 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C=C3)OC)OC)CC4=CN=CC=C4)O 1 2.326 2 6 0 -19.5188779202815 3146598 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)N(C)C)CC4=CN=CC=C4)O 1 2.521 3 4 0 -16.8143037739689 3146595 CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CS4)OC 1 3.088 2 5 0 -24.4232495793212 3146574 CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)OC 1 2.075 3 5 0 -19.8623809687985 3146573 CC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)C)O)C(=O)C4=CC=CO4 1 2.578 3 4 0 -19.6377113539881 3146565 CC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)C)O)C(=O)C4=CC=CS4 1 3.136 3 3 -21.3858104649887 3146524 CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(O4)C)C 1 2.566 2 7 0 -22.8080829565707 3146522 CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CO4 1 2.801 2 5 0 -18.9970225595711 3146505 CC1=CC=CC=C1OCC(=O)NC2=NC(=C(S2)C(=O)OC)C 1 2.362 2 4 -9.77755033017446 3146504 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)OC)C 1 2.373 2 4 -11.6892284459128 3146502 CC1=CC=C(C=C1)C2=NC(=C(O2)NCC3CCCO3)C#N 1 2.738 3 2 -3.34141308180181 3146501 C1=CC=C(C=C1)C2=NC(=C(O2)NCCCN3C=CN=C3)C#N 1 1.697 5 1 0 2.26608206774875 3146497 CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)OC(=O)C4=CC=CO4)C(=O)OC 1 3.282 2 6 0 -29.1204362523765 3146438 CN1C(=O)/C(=C/2\N(C3=CC=CC=C3S2)CC=C)/SC1=S 1 4.328 2 1 -6.67257072325183 3146434 CCN1/C(=C/2\C(=O)N=C(S2)SCC)/C=CC3=CC=CC=C31 1 4.186 2 1 -2.35008450706332 3146349 CCCNC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C 1 1.713 5 2 0 -18.4962292757871 3146345 C1COCCN1CCCNC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-] 1 2.765 5 6 0 -11.2794661985936 3146340 CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CN=CC=C2 1 2.45 2 2 -1.12774720856397 3146335 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CCCC(=O)O 1 2.828 2 4 -17.9592854558153 3146329 C1C(N(N=C1C2=CC=CS2)C(=O)C3=CC=CO3)C4=CC=CO4 1 3.053 2 3 -9.13530285398576 3146328 CCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CO3 1 2.66 2 2 -11.2209405015481 3146323 C1C(NC(N=C1C2=CC=CS2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4O 1 5.138 2 1 12.6664220649352 3146306 CC1=CC=C(C=C1)S(=O)(=O)CC(CN2CCCCC2)N3CCCCC3 1 3.982 2 2 -6.4511197704694 3146303 CC1=C(C(=O)N(C(=C1CN2CCCCC2)O)CCO)C#N 1 1.018 3 3 0 -2.03709140599755 3146302 CC1=CC(=O)N(C(=C1C#N)O)CCCO 1 0.129 2 3 0 -1.81589803197096 3146301 CN(C)C1=CC=C(C=C1)NC2=NC=C(C=C2)[N+](=O)[O-] 1 2.187 4 2 -3.54536448183061 3146300 CC(=O)NC1=CC=C(C=C1)NC2=NC=C(C=C2)[N+](=O)[O-] 1 1.146 4 3 0 -5.45967503217327 3146299 C1=CC=C(C(=C1)NC2=NC=C(C=C2)[N+](=O)[O-])F 1 2.231 3 2 -2.0855513252344 3146297 C1=CC(=CC=C1NC2=NC=C(C=C2)[N+](=O)[O-])F 1 2.231 3 2 -0.172201077752707 3146295 COC1=NC=C(C=C1)NC2=NC=C(C=C2)[N+](=O)[O-] 1 1.397 4 3 0 -4.42473941528701 3146294 COC(=O)C1=CC(=CC=C1)NC2=NC=C(C=C2)[N+](=O)[O-] 1 1.881 3 4 0 -5.29981148114848 3146292 CC1=C(C=C(C=C1)NC2=NC=C(C=C2)[N+](=O)[O-])Cl 1 3.176 3 2 -5.94809977766412e-002 3146286 CC1=C(C=C(C=C1)C(=O)NC2=C(N=CC=C2)Cl)Cl 1 3.488 2 1 -5.40003676463736 3146254 CC1(CC2(CC(C3=C(O2)C(=C(C=C3)O)O)C4=CC=CC=C4F)NC(=S)N1)C 1 4.402 2 3 -0.542369056875089 3146253 C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 1.002 2 6 0 -19.3084255340452 3146252 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCCC3)Cl 1 3.138 2 3 -19.397829984796 3146250 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCCCC3 1 3.182 2 3 -23.9771080462892 3146247 C1COCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.698 1 4 -11.1753191043952 3146237 CC1=CC(=NO1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.315 5 2 0 -17.391121989225 3146236 CC1CC2=CC=CC=C2N1C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5 1 5.834 4 1 -10.2618454234504 3146235 C1CN(C2=CC=CC=C21)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5 1 5.457 4 1 -12.5757827170893 3146230 CC1=C(SC2=C1C(=NC=N2)SCC(=O)NCC3CCCO3)C 1 2.243 3 2 -20.3594522280413 3146213 CCOC(=O)CN1C(=O)CN(C1=O)C2=CC(=C(C=C2)C)C 1 1.856 2 4 0 -11.2133407416382 3146210 CCCCN1C2=CC=CC=C2N=C1C3=NON=C3N 1 2.83 5 1 -5.07529127169686 3146175 CCOC(=O)CC1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2 1 2.185 5 3 0 -17.6044300904709 3146169 CCOC1=CC=CC=C1NC(=O)C2=C(NC(=O)NC2C3=CC=CS3)C 1 2.173 3 3 -33.600885113438 3146158 CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N3CCCC3)NCCO 1 1.707 6 1 0 3.53417053668368 3146157 CC1=CC(=NC(=C1C(=O)N)NC2=C(C=CC(=C2)Cl)OC)C 1 3.187 3 2 -2.08786898973776 3146156 CC1CC(CN(C1)C(=O)C2=CC=CC3=C2C4=CC=CC=C4C3=O)C 1 3.892 1 2 -7.57794194563669 3146152 CC1CCCCC1NC(=O)CSC2=NN=C(N2CCOC)C3=CC=NC=C3 1 2.364 5 2 0 -23.4902278686068 3146148 COCCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=NC=C3 1 2.045 5 2 0 -20.4558233609864 3146136 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=C(O2)Br 1 1.503 3 5 0 -13.8406541863103 3146135 CCCC(=O)NNC(=O)CCC(=O)NC1=CC=CC=C1Cl 1 1.33 3 3 0 -13.1198950033483 3146134 C1=CC=C(C(=C1)C(=O)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl)[N+](=O)[O-] 1 1.766 4 5 0 -16.3960281431549 3146133 CC1=CCC(CC1=NNC(=O)CCC(=O)NC2=CC=CC=C2Cl)C(=C)C 1 3.595 3 2 -9.47725275113746 3146131 CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)CSC2=NC=CC=N2 1 2.742 3 2 -7.99927905211669 3146129 COC1=CC=CC(=C1)NC(=O)C2CCCCC2 1 3.06 1 2 0.490094146765576 3146123 CC1=CC=CC(=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC 1 4.119 1 3 -0.956030134200657 3146109 COC(=O)C1=CC2=C(C=C1N)OCCO2 1 0.724 1 4 0 -6.79258423150197 3146106 C1CC(OC1)CN(CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O 1 2.259 1 5 -14.7598559327467 3146090 CCN1C(=NN=C1SCC(=O)N)CSC2=NC(=CC(=N2)C)C 1 1.312 6 1 0 -19.0381621017817 3146078 CN(C)CC#CCC(C1CCCCC1)(C2=CC=CC=C2)O 1 4.349 1 1 -1.57321829339601 3146057 C1C(C(=O)N(C1=O)CC2=CC=CC=C2)SC3=CC=CC=C3N 1 2.328 2 2 -1.82268881978126 3146039 CC(=NNC(=O)CC1=CC=CS1)CC(=O)NC2CCCC2 1 1.769 3 2 0 -11.4924207084653 3146037 CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1)CC(=O)NC3=CC=CC=N3 1 2.252 4 2 -5.27031882647532 3146028 C1CCC(=CC1)CCNC2=NC(=NC(=N2)N3CCOCC3)NCCO 1 1.199 6 2 0 -3.44414661572905 3146025 CCOC1=NC(=NC(=N1)NCCO)NCCC2=CCCCC2 1 2.301 5 2 0 -2.85888095689388 3146024 CC(C)C1=CC=C(C=C1)C2N(N=C(O2)C3=CC=C(C=C3)Cl)C(=O)C 1 4.781 2 2 -1.13857311364879 3146020 CCOC(=O)CC1=CSC(=N1)NC(=O)COC2=CC3=CC=CC=C3C=C2 1 3.023 2 4 -8.26751475712741 3146019 CC(=NNC=O)CC(=O)NC1=CC=CC2=C1CCCC2 1 1.725 3 2 0 -6.52087110168802 3146016 CC(=NNC(=O)C1=CC=CC=C1N)CC(=O)NC2=CC=CC3=C2CCCC3 1 2.721 4 2 -9.95971526761844 3146013 CCN1C2=C(C=C(C=C2)NC(=O)CC(=NNC(=O)C3=CC=CC=C3N)C)C4=CC=CC=C41 1 3.256 5 2 0 -5.33688563700365 3146011 COCCNC(=O)C(=O)NNC(=O)COC1=CC=C(C=C1)OC 1 -0.751 3 6 0 -17.2376929520579 3146010 CC(=NNC(=O)COC)CC(=O)NCC1=CC=CO1 1 -0.784 3 4 0 -13.9108634877174 3146007 COCC(=O)NNC(=O)CC1=CC=C(C=C1)Cl 1 0.643 2 3 0 -6.35786169828566 3146003 C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC(=CC=C4)O 1 2.52 2 3 -4.10162052012692 3145982 CC(=O)C1=C(C(=O)N(C1C2=C(C=CC(=C2)OC)OC)CCC3=CC(=C(C=C3)OC)OC)O 1 2.551 1 7 0 -19.8085887156089 3145968 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2OC)CCC3=CC(=C(C=C3)OC)OC)O 1 2.567 1 6 0 -19.3960474187334 3145956 CC1(CC1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)O 1 2.989 3 2 -9.93426519260025 3145944 CCOC(=O)C(=CN=C(N)NC1=NC2=CC=CC=C2O1)C(=O)OCC 1 1.437 4 5 0 -1.29604577281157 3145929 CCCNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C 1 3.011 5 2 0 -16.5811157543417 3145925 CCC(C)NC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C 1 3.183 5 2 0 -13.1866113681047 3145924 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CO)O)CCCC3=CC=CC=C3 1 2.088 4 4 0 -11.6117747224052 3145923 CCCCCCN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)C)C 1 2.686 5 2 0 -13.7997181232477 3145915 CC1C(=O)N=C(S1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O 1 1.606 3 4 0 -16.8677541427777 3145912 CC1=CC=C(C=C1)NC(=O)C2CC(=O)NC(=N2)NC3=NC4=C(C=C(C=C4)OC)C(=N3)C 1 2.528 6 3 0 -3.79559782053705 3145906 CCCCCN1C2=C(C(=O)OC3=CC=CC=C32)N=N1 1 3.637 3 2 -9.77641742420854 3145905 CCC(C)N1C2=C(C(=O)OC3=CC=CC=C32)N=N1 1 3.102 3 2 -6.85440259699732 3145892 C1=CC=C2C(=C1)C3=NC=CN=C3C2=O 1 1.478 2 1 0 2.32432643638311 3145884 CCOC1=CC=CC(=O)C2=C(N(C(=C12)C)CC3=CC=CC=C3)C 1 3.55 1 2 -7.63506303043286 3145862 C1=CC=C(C=C1)CNC(=S)NNC(=O)CNC2=CC=C(C=C2)Cl 1 3.328 4 1 -11.4044099293431 3145858 CC1=C(C=C(C=C1)NCC(=O)NNC(=S)NC)Cl 1 2.23 4 1 -11.2779018483305 3145855 CC1=NN=C(S1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)OC 1 1.155 7 2 0 -26.698909624725 3145853 CC1=CSC(=N1)NC(=O)CSC2=NN=NN2C 1 0.139 6 1 0 -20.5454337712754 3145849 CCNC(=S)NNC(=O)C1=CC=C(C=C1)OC 1 1.752 3 2 0 -9.51263062062395 3145845 CC1CC2=CC=CC=C2N1C(=O)CSC3=NC(=O)C=C(N3)N 1 1.529 4 2 0 -16.8700106844967 3145831 COC1=C(C=C2C(=C1)C3C4N2C(=O)CC(C4C5CC36CCN6C(=O)C5=O)OCC(=O)O)OC 1 -0.836 2 8 0 -12.2881783641374 3145820 CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 6.219 4 2 -19.1941375730308 3145814 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3)C(=O)OC(C)C)C 1 5.813 3 6 0 -20.1998791000317 3145811 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3)C(=O)OC)C 1 5.087 3 6 0 -18.8031444958724 3145808 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 5.386 4 2 2.97642273999001 3145807 C1CCCC(CCC1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 5.657 3 2 -7.62692215865041 3145784 C1COCCN1CCCNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 2.775 4 3 0 -10.5867364562315 3145782 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 5.435 3 6 0 -16.811628053367 3145758 CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3)[N+](=O)[O-] 1 5.248 4 4 0 -11.5768051255264 3145757 C1=CSC(=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC(=CC(=C3)OCC(C(F)F)(F)F)[N+](=O)[O-])C(F)(F)F 1 5.904 4 4 0 -15.5160839959097 3145754 C1=CSC(=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC(=CC(=C3)OCC(F)(F)F)[N+](=O)[O-])C(F)(F)F 1 5.907 4 4 0 -14.3279868573929 3145753 CCC(C)NC(=O)CSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CS2 1 4.694 3 1 -15.8148445684019 3145751 CCCNC(=O)CSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CS2 1 4.317 3 1 -13.4743720668173 3145746 CCN(CC)CCCNC(=O)CSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CS2 1 4.343 4 1 -13.5935863124162 3145718 CC1CCCN(C1)C(=O)C(C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3 1 5.418 3 1 -3.84693228539688 3145657 CC(C(=O)N1CCCC1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3 1 4.642 3 1 -3.70325625886762 3145652 CCN(CC)CCCNC(=O)C(C)SC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CC=C2 1 4.874 4 1 -6.97380212660393 3145649 CC(C(=O)N1CCCCC1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3 1 5.098 3 1 -4.0577247730357 3145643 CC1CCN(CC1)C(=O)C(C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3 1 5.35 3 1 -6.74683437694012 3145620 CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4 1 5.32 3 3 -6.63785610054024 3145614 CC(C(=O)O)SC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CC=C2 1 4.397 2 2 -1.92412031884154 3145570 CC(C(=O)N1CCOCC1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3 1 3.869 3 2 -5.62602122281129 3145569 CC(C(=O)NC1=C(C2=C(S1)CCC2)C#N)SC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4 1 6.144 4 1 -16.0216031689877 3145554 CCC(C)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2 1 2.161 2 2 -18.5908092357289 3145547 C1CN(CCN1C(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 1.586 3 3 0 -16.6032753601251 3145522 CC1CCCC(N1C(=O)CN2C=C(C3=CC=CC=C32)C#N)C 1 3.146 3 1 -11.2008995246764 3145519 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.304 2 4 -14.0912367665735 3145514 CCC1=C(C=C2C(=C1)C3=C(CCCC3)C(=O)O2)OCC(=O)OC 1 3.966 0 5 -14.5233784230162 3145446 C1CCN(C1)CC(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O 1 2.612 2 3 -9.08808593901192 3145443 CC1=CC=C(C=C1)OCC(CN2CCCC2)O 1 2.388 1 2 -2.28782665424207 3145440 CC1=CC(=NN1CC(COC2=CC(=C(C=C2)C(C)C)C)O)C 1 3.709 2 2 -6.33640190439268 3145439 CCCN(CCC)CC(CN1C(=O)C(NC1=O)(C)C)O 1 1.214 3 3 0 -8.9695149223515 3145437 CC1=CC(=NN1CC(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)O)C 1 3.647 3 3 -12.3564110544631 3145435 COC1=CC=C(C=C1)N(CC(CN2C=NC3=CC=CC=C32)O)S(=O)(=O)C4=CC=CC=C4 1 3.366 3 4 0 -7.68882492105729 3145434 CC1=NC=CN1CC(CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3)O 1 1.999 3 4 0 -9.61282011796798 3145420 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)COC2=CC=CC3=CC=CC=C32 1 1.438 3 5 0 -13.0095658486297 3145418 CC1=CC(=CC=C1)OCC(=O)NNS(=O)(=O)C2=CC=CC=C2F 1 2.101 2 4 -9.54563576384261 3145417 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)COC2=CC=CC=C2C 1 2.1 2 6 0 -13.5278886330734 3145410 C1C(OC2=CC=CC=C2O1)C(=O)NCCOC(=O)C3COC4=CC=CC=C4O3 1 2.087 1 7 0 -8.36659353361292 3145402 COC1=CC=C(C=C1)CC(CN)C2=CC=CC=C2 1 3.048 1 1 -0.112560809336655 3145395 CCN1C(=C(CC1=O)C(=O)OC)C 1 0.127 1 3 0 -9.12975811469298 3145383 CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)N(C4=C2C(=O)CC(C4)(C)C)CCCOC)OC 1 4.046 1 5 -23.6054426214722 3145376 C1=CC=C(C=C1)C2=C(SC(=N2)NC3=CC=CC4=CC=CC=C43)CC(=O)O 1 4.551 2 2 1.29606517251344 3145374 C1=CC=C2C(=C1)C=CC=C2NC3=NC(=C(S3)CC(=O)O)C4=CC=C(C=C4)Cl 1 5.215 2 2 3.76099327642786 3145369 CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)N(C4=C2C(=O)CC(C4)(C)C)CCCOC)O 1 3.821 1 5 -17.4600212453815 3145363 CC1(CC2=C(C(C3=C(N2CCOC)CC(CC3=O)(C)C)C4=CC(=C(C=C4)O)OC)C(=O)C1)C 1 3.409 1 5 -16.7443508614842 3145329 CC1(CC2=C(C(C3=C(N2CCCOC)CC(CC3=O)(C)C)C4=CC(=C(C=C4)O)OC)C(=O)C1)C 1 3.472 1 5 -16.5075326030837 3145309 COC1=CC=CC=C1N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)F 1 3.023 3 2 -1.3993231904285 3145297 COC1=CC(=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3F)OC 1 3.006 3 3 -3.91270304994256 3145287 CCN1CCN(CC1)CCC(=O)NC2=CC=CC=C2 1 1.51 3 1 0 -3.84823460145726 3145285 CC1CCN(CC1)CCC(=O)NC2=CC=CC=C2 1 2.373 2 1 -6.18879573835839 3145284 CC1CC(CN(C1)CCC(=O)NC2=C(C=CC(=C2)C)C)C 1 3.732 2 1 -10.0550365433744 3145283 CC1CCCN(C1)CCC(=O)NC2=C(C=CC(=C2)C)C 1 3.413 2 1 -5.97540158835926 3145276 CC1CCCN(C1)CCC(=O)NC2=CC(=C(C=C2)F)F 1 2.852 2 1 -3.36092071578623 3145259 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC)C 1 2.379 1 5 0.258040925177065 3145250 CCOC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC(=N2)OC)OC 1 1.645 4 7 0 -27.6791139833807 3145249 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=CO2 1 0.935 3 5 0 -12.5274442018617 3145245 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NCCCN3C=CN=C3 1 -2.6e-002 4 3 0 -12.8246334660378 3145239 COC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NCCCO)C4=CC=C(C=C4)OC 1 3.72 3 4 0 7.98470554752502 3145237 CCCC(=O)NC1=C(C2=C(S1)CCCCC2)C#N 1 3.578 2 1 -23.9484902426318 3145217 C1C(=O)N(C(=N)S1)C2=CC=C(C=C2)Cl 1 2.546 2 1 -3.89062475493569 3145216 C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4 1 3.238 3 3 -28.9101619549285 3145208 COC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4 1 3.215 3 4 0 -27.7519981723547 3145204 C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4 1 3.231 3 3 -24.3769375631727 3145200 CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NCC2CCCO2 1 1.967 3 3 0 -15.5708724481621 3145193 CCCCC(CCC(=O)O)(C1=CSC(=N1)NC2=CC=CC=C2)C(=O)OCC 1 4.29 2 4 -5.63856285628337 3145192 CC(C)CCOCC1CC(C(=O)O1)CC(=NNC(=S)N)C 1 1.706 3 3 0 -7.35819704315224 3145191 CC(C)CCC(CC(C)O)C1=NNC(=S)N1C2=CC=CC=C2 1 4.372 3 1 -7.91294121604954 3145190 CCCCC(CC(C)O)C1=NNC(=S)N1C2=CC=CC=C2 1 4.12 3 1 -8.04803070251165 3145189 CCCCC(CC(C)O)C1=NNC(=S)N1CC=C 1 3.16 3 1 -12.3608587041709 3145169 CC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 1 2.537 2 4 -12.0743472395742 3145164 CCCCCN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)C)C 1 2.229 5 2 0 -13.7424680057113 3145163 CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)CCCC3=CC=CC=C3 1 2.549 5 2 0 -13.8641071118195 3145149 C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CC=C(O4)[N+](=O)[O-])C(=O)CCC(=O)O)C5=CC=C(C=C5)F 1 3.54 3 7 0 -35.1441044969313 3145146 C1COCCN1CCCNC(=S)NC(=O)C2=CC=CC3=CC=CC=C32 1 2.708 3 2 -10.2870087365604 3145128 CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC(C)(C)C 1 3.217 2 3 -17.0394989656862 3145114 CCC1=C2CCCCC2=C(C(=N1)SCC(=O)O)C#N 1 3.583 2 2 -17.351569528783 3145113 C1CN(CCC1C(=O)N)/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=CO3 1 -0.668 4 5 0 -7.51391502209442 3145105 CC1=CC(=CC=C1)CN2C3=C(N=C2NCC=C)N(C(=O)NC3=O)C 1 2.258 5 2 0 -12.1657401383651 3145094 CC1=CC(=NO1)NC(=O)C(C)OC2=CC=CC=C2 1 2.072 2 3 -15.5337987413658 3145089 CCC(C)C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C 1 2.687 2 3 -9.55998020132652 3145085 CCOC(=O)CC1=CSC(=N1)NC(=O)CC(C)(C)C 1 2.196 2 3 -12.8629218022953 3145079 CCOC(=O)CC1=CSC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.102 3 5 0 -12.4217310458356 3145078 CCOC(=O)CC1=CSC(=N1)NS(=O)(=O)C 1 0.405 2 4 0 -9.72641947083496 3145072 CCCC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=N2)C 1 2.504 4 3 0 -18.2091553546107 3145065 CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(C)C 1 4.762 1 1 -7.79218981917634 3145057 CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)C 1 3.251 1 3 -4.27933490271595 3145055 CC1=CC=C(C=C1)NC(=O)C2C3=CC=CC=C3CCO2 1 2.966 1 2 -3.65970697310428 3145049 CC1=C(C(=NN1CC(=O)NCCCN2CCOCC2)C)[N+](=O)[O-] 1 -0.249 5 4 0 -17.6220976201043 3145027 CC1(CC2=C(CN1C)C(=S)N(C(=C2C#N)N)C)C 1 1.576 4 0 0 -4.11477018793116 3145022 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC=C(C=C3)O 1 2.296 2 5 0 -9.47580877910963 3145014 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C(=O)C4=CC=CC=C4 1 2.101 3 5 0 -4.81457055532266 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CN(C)CCCN1C(=O)C2=CC3=CC=CC=C3C=C2C1=O 1 1.971 2 2 0 -1.43040403525293 3143320 CC(C)N(C)NC(=S)NC1=CC=CC=C1 1 2.881 3 0 -6.23522290198497 3143319 CN(CC=C)NC(=S)NC1=CC=CC=C1 1 2.771 3 0 -9.93250586028149 3143314 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5 1 2.565 8 4 0 -27.3735688942045 3143303 C1CCCC(=NNC(=O)C2=CC=CS2)CC1 1 2.817 2 1 -9.17483648608903 3143289 CC(C)C1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2 1 5.3e-002 2 2 0 -6.64951000797451 3143288 CCC1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2 1 -0.266 2 2 0 -8.79157809270972 3143286 C1=CC=C(C=C1)CNC(=O)C(CC2=CNC3=CC=CC=C32)N 1 2.329 3 1 -8.96936229566595 3143281 C=CCC1CC2=C(C=CC=C2[N+](=O)[O-])C(N1)CC=C 1 3.27 2 2 -7.74914913871098 3143279 CCN1C(=O)CC(=NC2=CC=CC=C21)C3=CN=CC=C3 1 1.946 3 1 0 -3.15604524090564 3143254 COC(=O)C1=CC=C(C=C1)OC2=C(C=CC=C2Cl)[N+](=O)[O-] 1 3.804 1 5 -0.720364506836128 3143245 CC(C(=O)C1=CC=CC=C1)OC(=O)CCC(=O)NC2=CC=CC=C2OC 1 2.745 1 5 -16.8964605163366 3143213 CCC(=O)NNC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-] 1 1.738 3 5 0 -11.0882644475558 3143212 CCOC(=O)C1=CC(=C(C=C1)NNC(=O)C)[N+](=O)[O-] 1 1.071 3 5 0 -9.76926463490136 3143207 CC1=CC2=C(C=C1)C(=CC(N2C(=O)CCl)(C)C)C 1 3.425 1 1 -3.60777618779493 3143196 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCNC(=O)C3=CC=CC=C3Cl 1 2.203 3 3 -12.3459032793087 3143193 COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3 1 3.874 3 3 1.63059005396834 3143187 CC1=C(C(=CC=C1)OCC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)OC)C 1 3.585 2 5 0 -10.8569803168134 3143185 COC1=C(C=CC(=C1)NC(=O)COC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 2.613 2 5 0 -13.3101241251841 3143163 CN1C(=NN=C1SCC(=O)OC)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.845 4 5 0 -16.199481935266 3143160 CN1C(=NN=C1SCC(=O)N)COC2=CC=C(C=C2)[N+](=O)[O-] 1 0.992 5 4 0 -13.9262502137807 3143155 CCC(C(=O)OCC)SC1=NN=C2N1C3=CC=CC=C3C(=C2)C 1 4.575 3 2 -12.9189158244752 3143126 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)C 1 2.393 4 1 -14.5993339587738 3143123 CC1(CC(CCO1)N2C(=O)C3=CC=CC=C3N=C2SC)C 1 2.66 2 2 -15.0888648267271 3143121 CCC(CC(C)(C)O)C(=O)NNC(=S)NC1=CC=CC=C1 1 3.008 3 2 -9.36553850070325 3143118 CC(C)CCC(CC(C)(C)O)C1=NNC(=S)N1CC=C 1 3.617 3 1 -14.1360506487793 3143117 CCOC(=O)C1(CC(=O)OC1)C2=CSC(=N2)N 1 0.298 2 4 0 -0.930369012275263 3143102 CCNC1=NC(=NC(=N1)N(N2C=NN=C2)S(=O)(=O)C3=CC=C(C=C3)C)NC(C)C 1 1.631 9 2 0 -9.96072119425297 3143085 CC1C(NC(C(C1=O)C)C2=C(C=CC(=C2)Br)O)C3=C(C=CC(=C3)Br)O 1 4.71 1 3 3.33033512847874 3143083 CC1(CC2=C(CO1)SC(=C2C(=O)O)NC(=O)C3=CC=CO3)C 1 1.965 1 5 0 -15.9391052229273 3143077 CC12CC(CNC1)(CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C 1 3.937 2 0 -5.91348906381371 3143065 CC(C)COC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)O 1 2.497 1 4 -11.1947389541875 3143008 C1=CC(=CN=C1)C=NNC2=NC=CS2 1 0.658 4 0 0 -0.226476622028465 3143005 C1=COC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl 1 3.299 2 2 1.4048143562204 3143001 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 1.659 4 6 0 -23.7252351256353 3142967 CC1=CC(=C(C=C1)C)C2=CSC(=N2)NN=C(C)C3=CC4=C(C=CC(=C4)OC)OC3=O 1 4.712 3 3 -2.77098093215118 3142960 CCC1C(OC(=O)C(C1=O)(C)C)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.171 1 5 -4.29827339213598 3142835 C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=NC5=CC=CC=C5N4 1 3.868 2 2 0.300428700941423 3142819 COC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCCO3 1 2.384 1 4 -7.98327792122056 3142805 CC1=CC(=C(C=C1C)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 3.903 2 4 -3.54446896356029 3142803 CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C(=C2)C)C)O)[N+](=O)[O-] 1 3.725 2 4 -6.55602917165588 3142802 CC1=CC(=C(C=C1C)O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.239 2 4 -5.91611963422027 3142793 CCCNNC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O 1 2.347 2 2 -10.0784500175524 3142762 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CN=CC=C4 1 4.443 5 1 -11.9853071858806 3142760 CN1C(=NN=C1SCC#N)C2=CN=CC=C2 1 0.988 5 0 0 -9.58870218368767 3142757 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=O)N=C(N2)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.074 4 4 0 -15.4947062952119 3142730 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)C 1 1.761 5 3 0 -18.0151123225588 3142729 CC1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.274 5 3 0 -15.4215834746892 3142728 CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C)C 1 2.35 4 1 -11.1863079870439 3142724 CCCCSC1=NC=C(C(=N1)N)C(=O)OCC 1 2.439 3 2 -8.20658008188533 3142721 C1C=C(CC2C1C(=O)N(C2=O)CCC3=CNC4=CC=CC=C43)Cl 1 2.866 2 2 -5.42141218927393 3142716 CC1(CC2(CCO1)CNC(=O)O2)C 1 0.115 1 3 0 -9.5177798508208 3142714 CCC(C)NC1=NN=NC2=C1SC3=NC4=C(COC(C4)(C)C)C=C23 1 2.662 5 1 -19.8978844525635 3142696 CC1=CC=CC=C1OCCNC2=C(C=CC(=C2)N3CCNCC3)[N+](=O)[O-] 1 3.235 4 3 0 -3.60613199579545 3142670 C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)N 1 2.444 5 1 -14.5735516425062 3142665 C1COCCN1CCCNC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 2.796 2 3 -2.5643721512341 3142664 CC1=CC=CC=C1NC(=S)NC(=O)CC2=CC=C(C=C2)Cl 1 4.951 2 1 -6.75737081229754 3142658 COC1=C(C=C(C=C1)C(C#N)N2CCC(=N2)C3=CC=CC=C3)OC 1 2.895 3 2 -3.86383818683052 3142639 CCOC1=CC=C(C=C1)N(CC(=O)NC2CC3CCC2C3)S(=O)(=O)C4=CC=CC=C4 1 3.517 2 4 -14.4663745875189 3142635 CS(=O)(=O)N(CC(=O)NCCSCC1=CC=CC=C1)C2=CC=CC=C2F 1 2.409 2 3 -21.1574811910435 3142634 CC1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=C2)OC 1 2.898 1 2 -18.5639867809802 3142633 CS(=O)(=O)N(CC(=O)NCCSCC1=CC=CC=C1Cl)C2=CC=C(C=C2)F 1 3.074 2 3 -17.6500415241938 3142630 CC1=CC=CC=C1N(CC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C 1 2.69 2 3 -21.9038366335132 3142412 CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=NC=C2)C(=O)NC3=CC=C(C=C3)Cl 1 1.902 5 2 0 -28.2210269549319 3142408 COC1=CC=CC=C1OCCSC2=NC(=CC(=N2)N)N 1 2.314 4 2 -6.81462751704934 3142370 CCC(C(=O)OCC)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)C 1 5.37 3 3 -12.4019890698519 3142367 CC1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)N 1 2.304 3 1 -10.4306089834446 3142363 COC1=C(C=C(C=C1)CN2CCOCC2)Br 1 2.323 1 2 -2.18302664843174e-002 3142358 CCCCC(C(C)CC(=O)NNC(=O)C1=CC=CO1)C(=O)O 1 1.986 2 5 0 -14.206335876454 3142356 CCOC(=O)C1=C(NC(=O)C1CC(=O)O)C 1 -0.438 1 5 0 -21.75890207453 3142341 CCC1=CC=C(C=C1)NC2=NC(=O)CS2 1 2.824 2 1 -7.5215968214888 3142290 CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(O2)C)C#N 1 1.431 2 4 0 -24.2580335665506 3142284 COC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=CC=C3 1 2.665 3 3 -22.1074892475597 3142264 C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3 1 3.629 2 1 -15.8194360516439 3142259 CC1=CC=CC=C1NC(=O)CSC2=C(C(CC(=O)N2)C3=CSC=C3)C#N 1 2.83 3 2 -24.6956252072981 3142254 CCOC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)NC3=NC=CS3 1 2.011 4 3 0 -25.9606333530042 3142215 C1=CC=C2C(=C1)C(=O)C3(C2=O)C(O3)C4=CC=C(C=C4)Cl 1 3.139 0 3 0.911675608761523 3142207 CCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(N=C2C)C 1 0.242 5 3 0 -9.3232208378752 3142186 COC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC 1 3.961 2 5 0 -8.57573112756184 3142183 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3OC 1 1.977 3 3 0 -7.17521460813756 3142178 C1COCCN1CCCNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.744 2 2 -3.87372755005063 3142169 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=CC=C5OC 1 5.637 5 3 0 -26.4806167858781 3142138 COC1=CC=C(C=C1)OCC2=NN=NN2C3=CC=CC=C3 1 2.46 4 2 -8.27810658943254 3142137 C1=CC=C(C=C1)N2C(=NN=N2)COC3=CC=C(C=C3)Cl 1 3.141 4 1 -5.89786511850202 3142133 CN1C(=NN=C1SCC(=O)NNC(=O)CC2=CC=CC=C2)CNC3=CC=C(C=C3)F 1 2.202 6 2 0 -16.5295779555803 3142121 C1=COC(=C1)CN2C(=NN=C2SCC(=O)NC3=NC=CS3)C4=CC=NC=C4 1 1.656 6 2 0 -14.0520470245372 3142105 COC1=CC2=NC(=C(C=C2C=C1)C3NC4=CC=CC=C4C(=O)N3)Cl 1 3.492 3 2 -0.924611571828118 3142103 CC1=CC2=CC(=C(N=C2C(=C1)C)Cl)C3NC4=CC=CC=C4C(=O)N3 1 4.48 3 1 -0.660440082932667 3142098 CN1C=CN=C1SCC(=O)NC2=CC=CC=C2 1 1.643 3 1 0 -8.59682622284212 3142090 CCC(C(=O)O)NC(=S)NC1=CC=CC=C1 1 3.001 2 2 -13.3902624570276 3142084 CCCC(CCC(=O)NC1=NC=CS1)C(=O)O 1 1.623 2 3 0 -12.409137045443 3142082 CCC(CCC(=O)NC1=NN=CS1)C(=O)O 1 0.644 3 3 0 -13.2863418623947 3142080 CCCCC(CCC(=O)NC1=NC=CS1)C(=O)O 1 2.08 2 3 -11.4292143821979 3142078 C1=NN=C(S1)NC(=O)CCCC(=O)O 1 -0.275 3 3 0 -16.4431832283955 3142067 CC1(CC(C(=O)O1)CC(=O)O)C 1 0.499 0 4 0 -9.52374625807567 3141998 CCCCNC(=O)NC1=CC=CC=C1C(=O)NCCC 1 2.355 3 2 -18.1533831084401 3141928 CC1=CC=CC=C1OCCOC2=CC=CC=C2C=C(C#N)C#N 1 4.117 2 2 -1.18700040993087 3141927 CC1=CC(=CC=C1)OCCOC2=CC=CC=C2C=C(C#N)C#N 1 4.117 2 2 -0.251229508034982 3141921 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=N2)SCC#N 1 4.025 3 0 1.49946461297197 3141919 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC#N 1 3.819 3 0 -1.13636122340329e-002 3141909 CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC#N 1 3.192 3 0 -6.5666594314377 3141862 C1=COC(=C1)CNC2=NC(=NC(=N2)Cl)NCCO 1 0.741 5 2 0 -0.669428960652473 3141860 CC1=CC=C(C=C1)CC(C(C)C(=O)NC2=CC=C(C=C2)F)C(=O)O 1 3.9 1 3 -5.91638651235728 3141854 COCC(CN1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32)OC(=O)C4=CC=CC=C4 1 2.184 3 5 0 -6.07430924392368 3141846 COC1=CC=CC=C1C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.17 2 5 0 -10.0167021751669 3141845 COC1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC4=CC=CC=C4OC3=O 1 5.475 1 4 -1.67375138807654 3141844 COC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)Cl)Cl)C3=CC4=CC=CC=C4OC3=O 1 5.475 1 4 -3.39258982234052 3141842 CC1=NC(=C(C(=C1)COC)C#N)SCC2=CC=C(C=C2)F 1 3.514 2 1 -9.02966831150973 3141816 CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC)CC3=CC=C(C=C3)F 1 3.524 3 4 0 -8.67553585119892 3141796 CNC(=O)C1CC(=O)N(C(=NC2=CC=C(C=C2)F)S1)CCC3=CC(=C(C=C3)OC)OC 1 3.609 3 4 0 -9.0034719933005 3141795 COC1=C(C=C(C=C1)CCN2C(=O)CC(SC2=NC3=CC=C(C=C3)F)C(=O)N)OC 1 3.403 3 4 0 -6.69084410828539 3141791 COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)N)CCC3=CC(=C(C=C3)OC)OC 1 3.181 3 5 0 -7.64691449398535 3141790 CNC(=O)C1CC(=O)N(C(=NC2=CC=C(C=C2)OC)S1)CCC3=CC=C(C=C3)OC 1 3.403 3 4 0 -6.54355323261427 3141787 CNC(=O)C1CC(=O)N(C(=NC2=CC=C(C=C2)OC)S1)CCC3=CC=CC=C3 1 3.42 3 3 -6.53204919517631 3141785 COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC(=O)OC)CC3=CC=CC=C3 1 2.969 3 5 0 -15.5988395462218 3141771 CCC(C)C(C(=O)N)NC(=O)C(C)NC(=O)CNC(=O)OC(C)(C)C 1 0.189 4 5 0 -26.0811272589073 3141770 CCC(C)C(C(=O)OC)NC(=O)C(C)NC(=O)CNC(=O)CNC(=O)OCC1=CC=CC=C1 1 0.754 4 7 0 -30.2104494481264 3141768 CCC1=CC=C(C=C1)C2NC(CS2)C(=O)O 1 -0.146 1 2 0 -12.5403022192564 3141765 CN1C=CN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.585 3 1 -4.07435949484404 3141734 CCN(CC)CCN1C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3F 1 3.696 3 1 -9.26061815856341 3141732 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)OC 1 4.205 2 3 -10.9620077872316 3141731 C1=CC=C(C=C1)CN2C(NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)F 1 4.443 2 1 -5.61624960606236 3141694 CCOC(=O)C(=O)NC1=C(C(=C(S1)C(=O)N2CCOCC2)C)C#N 1 0.845 3 5 0 -18.9821801409767 3141658 CC1=C(SC(=C1C#N)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)N5CCCCC5 1 4.28 3 2 -16.8349649995585 3141652 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C(=O)OCC)C#N)C 1 1.855 3 4 0 -18.9836259633611 3141589 CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCOCC3 1 2.053 4 5 0 -21.576129879242 3141532 CC1=NC2=C(C=CC=C2OC)C(=C1)NN=CC3=CC=CO3 1 3.296 3 2 3.51472751184529 3141529 CC1=NC2=C(C=CC=C2OC)C(=C1)NN=CC3=CC=CC=C3 1 3.901 3 1 3.68761837012737 3141523 CC1=NC2=C(C=C(C=C2)OC)C(=C1)NN=CC3=C(C=C(C=C3)OC)OC 1 3.868 3 3 5.37856987614138 3141521 CC1=NC2=C(C=C(C=C2)OC)C(=C1)NN=CC3=CC=C(C=C3)F 1 4.106 3 1 6.15717074729021 3141500 CC1=CC=CC2=C1N=C(C=C2NN=CC3=CC=C(C=C3)OC)C 1 4.387 3 1 4.22123500719441 3141493 CC1=CC2=C(C=C1)N=C(C=C2NN=CC3=CN=CC=C3)C 1 3.253 4 0 6.34388426353196 3141491 CCOC1=CC=CC=C1C=NNC2=CC(=NC3=C2C=C(C=C3)C)C 1 4.736 3 1 6.02593899903782 3141487 CC1=CC2=C(C=C1)N=C(C=C2NN=CC3=C(C=C(C=C3)OC)OC)C 1 4.371 3 2 6.68911799773299 3141486 CC1=CC2=C(C=C1)N=C(C=C2NN=CC3=CC=CC=C3OC)C 1 4.387 3 1 6.29149713282022 3141484 CC1=CC2=C(C=C1)N=C(C=C2NN=CC3=CC=C(C=C3)F)C 1 4.609 3 0 7.04134477093554 3141483 CC1=CC2=C(C=C1)N=C(C=C2NN=CC3=CC(=CC=C3)O)C 1 4.161 3 1 8.43308959883883 3141480 CC1=NC2=CC=CC=C2C(=C1)NN=CC3=CC=CC=C3F 1 4.123 3 0 4.1485849265198 3141478 CC1=NC2=CC=CC=C2C(=C1)NN=CC3=CC=C(C=C3)N(C)C 1 4.079 4 0 0.380678546815978 3141477 CC1=NC2=CC=CC=C2C(=C1)NN=CC3=CC=CO3 1 3.312 3 1 2.59973602353741 3141472 CC1=NC2=CC=CC=C2C(=C1)NN=CC3=CC=C(C=C3)OC 1 3.901 3 1 2.62899871628449 3141408 CN1C2=C(C(=O)N(C1=O)C)N3CC(CN(C3=N2)C4=CC=CC=C4)O 1 0.868 5 3 0 -10.2896178806701 3141412 CN1C2=C(C(=O)N(C1=O)C)N3CC(CN(C3=N2)C4=CC=C(C=C4)O)O 1 0.626 5 4 0 -8.42518112044771 3141448 CC1=CC2=C(C=C1)N=C(C=C2C)NN=CC3=CC=CO3 1 3.904 3 1 8.95807538005717 3141438 CC1=CC(=NC2=CC=CC=C12)NN=CC3=CC(=CC=C3)Br 1 4.771 3 0 11.062984051838 3141399 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)O)CC3=CN=CC=C3)O 1 0.902 2 4 0 -16.0422867580921 3141397 CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C 1 2.338 2 3 -16.7129482381215 3141392 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Cl)CC3=CN=CC=C3)O 1 1.809 2 3 0 -15.1744092441863 3141388 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)OC)CC3=CN=CC=C3)O 1 1.128 2 4 0 -17.4093741439173 3141387 CC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C 1 1.63 2 3 0 -16.9964079347731 3141307 CN1C(=O)C2=C(N=C1NN)SC3=C2CCC3 1 1.046 4 1 0 -9.86092819395506 3141153 CC1=CC=C(C=C1)C(=O)NN=C2N(C(=O)CS2)C3=C(C=CC(=C3)C)C 1 4.38 3 2 -11.1743628166339 3141144 CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)CSC2=NNC(=O)C3=CN=CC=C3 1 2.151 5 4 0 -13.8730272256431 3141141 CN1C(=O)C(N(C1=S)CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=C(C=C4)OC 1 3.03 3 5 0 -14.3919028974502 3141123 CC(=NNC1=NC(=O)CC(S1)C(=O)NC2=CC=C(C=C2)Cl)CCC3=CC4=C(C=C3)OCO4 1 3.865 4 4 0 -7.00886899647677 3141122 CC(=NNC1=NC(=O)CC(S1)C(=O)NC2=CC=CC=C2)CCC3=CC4=C(C=C3)OCO4 1 3.201 4 4 0 -8.98752182543694 3141099 CC1=C(C=C(C=C1)OCCNC2=C(C=CC(=C2)N3CCN(CC3)CCO)[N+](=O)[O-])C 1 3.717 4 4 0 2.55121105975846 3141046 COC1=CC(=C2C(=C1)C=C(C(O2)N3CCOCC3)C(=O)OC)[N+](=O)[O-] 1 1.754 2 7 0 -7.31128484683173 3141040 C1CCC2(C(=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])C1)N4CCCC4 1 3.851 2 3 -5.2792635774812 3140965 CC1=CC2=CC(=C(N=C2C=C1)Cl)C3C(=C(OC(=C3C(=O)OC)C)N)C#N 1 3.161 3 3 -7.32327199359796 3140960 CC1=CC(=NC(=N1)SCC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3OC)C 1 2.533 5 3 0 -24.2856586406857 3140937 CC(=O)C1C(C(=C(CC1(C)O)NC2=CC=C(C=C2)OC)C(=O)C)C3=CC=C(C=C3)OC 1 2.453 1 5 -11.565640077207 3140928 CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)O)OC)CCN3CCOCC3)O 1 0.279 2 6 0 -20.9441069474455 3140882 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2Cl)CCC(=O)O)O 1 1.105 1 5 0 -23.4219318670217 3140887 CC(=O)C1=C(C(=O)N(C1C2=C(C=C(C=C2)Cl)Cl)CCC(=O)O)O 1 1.77 1 5 0 -20.0150116433432 3140911 CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)F)CC3=CC=CO3)O 1 1.682 1 4 0 -16.2602377135551 3140849 CCOC(=O)C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 2.86 1 4 -2.17221193817812 3140847 COCCCNC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O 1 1.747 1 4 0 -16.541250964448 3140726 CC(C)(C)C1CCC2=C(C1)SC3=C2C(=N)N(C=N3)N 1 2.648 4 0 -15.3945283663209 3140709 CC(=O)NC1=NON=C1C2=NC3=CC=CC=C3N2CC4=CC=CC=C4 1 2.952 5 2 0 -8.16018728485594 3140703 CC(=NNC(=O)CNC1=CC=CC=C1Cl)C(C)(C)C 1 2.861 3 1 -9.37337539403222 3140699 COC1=CC=C(C=C1)C(=O)NNC(=O)CCC(=O)NNC(=O)C2=CC=C(C=C2)OC 1 0.431 4 6 0 -10.3640450483675 3140697 CCC(=O)NNC(=O)CCC(=O)NC1=CC=CC=C1 1 0.21 3 3 0 -10.1231271485414 3140693 CCC(=O)NNC(=O)CCC(=O)NC1=C(C(=CC=C1)Cl)C 1 1.36 3 3 0 -8.71053399503451 3140690 CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=O)CCC(=O)O 1 0.539 3 5 0 -10.8839338173575 3140688 CC1=CC=C(C=C1)C(=O)NNC(=O)CCC(=O)NC2=C(C(=CC=C2)Cl)C 1 2.844 3 3 -10.1677674848237 3140687 CC1=CC=CC(=C1)C(=O)NNC(=O)CCC(=O)NC2=C(C(=CC=C2)Cl)C 1 2.844 3 3 -10.4136837447451 3140685 CCC(=O)NNC(=O)CCC(=O)NC1=C(C=C(C=C1)C)C 1 1.182 3 3 0 -12.7288141071472 3140684 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=O)COC2=CC=CC=C2)C 1 2.015 3 4 0 -13.7918207247062 3140682 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2Cl)C 1 2.844 3 3 -15.3799955931902 3140677 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-])C 1 2.074 4 5 0 -18.9906205145477 3140676 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC2=CC=CC=C2)C 1 3.582 4 2 -13.6653584644599 3140656 CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)O)C 1 1.711 2 4 0 -7.12211988654346 3140575 COC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC(=O)OC)CC(=O)NC3=CC=C(C=C3)F 1 3.168 3 5 0 -16.7701326299582 3140567 CCN1C(=O)C(N(C1=S)CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=C(C=C4)OC 1 3.379 3 5 0 -14.4864471910588 3140564 CCN1C(=O)C(N(C1=S)CCC2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)F 1 4.137 3 3 -10.9370665973609 3140563 CCN1C(=O)C(N(C1=S)CCC2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)OC 1 3.915 3 4 0 -12.4752625650437 3140562 COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=CS3 1 2.517 2 5 0 -15.4695513505617 3140545 CC1=C(C2=CC=CC=C2N1CC=C)C=C3C(=O)NC(=O)NC3=O 1 2.126 3 3 -7.61955457388593 3140526 C1=CC(=CC=C1CC(=O)NCCCN2C=CN=C2)Cl 1 1.541 3 1 0 -5.68815176286056 3140522 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=C(C=C2)F)F 1 2.994 2 3 -3.57247627509569 3140520 CCC(C)(C)C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-] 1 2.83 2 4 -7.26179855952451 3140519 CC(C)(C)CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-] 1 2.409 2 4 -8.80144727144674 3140509 CCCOC(=O)C1=CC=C(C=C1)NC(=O)CC(C)(C)C 1 3.259 1 3 -10.6664866663224 3140508 CCC(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl 1 3.094 2 3 -8.84127923488409 3140501 CCN(CC1=CC=CC=C1)C(=O)COC2=CC=CC=C2 1 3.011 1 2 -10.1852541814042 3140495 CCC(C)C(=O)NC1=NC=CS1 1 1.533 2 1 0 -7.44967128182265 3140494 CCCCCCNC(=O)CC1=CC=C(C=C1)Br 1 4.062 1 1 -11.0086749049729 3140488 CCC(C)C(=O)NC1=C(C=C(C=C1)OC)OC 1 2.503 1 3 -11.985921655221 3140484 CCCCC1=CC=C(C=C1)NC(=O)C(C)CC 1 4.39 1 1 -8.81088053870851 3140482 CCC(C)C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC 1 2.246 1 5 -15.8231319947363 3140438 CC1=CC2=C(C=C1)SC(=N2)NC(=O)CSC3=C(C(=CC(=N3)C)C)C#N 1 4.156 4 1 -13.7632468147528 3140480 CC(C)C1=NC=C(N1C)C(C2=CC(=CC=C2)OC)O 1 2.489 2 2 -4.83399529035735 3140465 CCCCSC1=NN=C(N1C)C2=CC=C(C=C2)OC 1 3.72 3 1 -4.40956364708943 3140425 CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=CC=C2C(=O)OC 1 1.602 4 5 0 -18.6369194760047 3140401 C1=CC=C(C(=C1)C(=O)NNC(=S)NC(=O)C2=CN=CC=C2)F 1 1.728 4 2 0 -12.10368220994 3140400 COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCOCC2)OC 1 2.102 2 4 -18.5382202038133 3140393 CC1=CC=C(C=C1)S(=O)(=O)NCCCNC2=CC=C(C=C2)[N+](=O)[O-] 1 2.641 3 4 0 -7.9099894778942 3140390 C1CN(CCN1C2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4 1 2.657 4 4 0 -14.9450294429094 3140381 CCN(CC)C(=S)NC(=O)C12CC3CC(C1)CC(C3)C2 1 4.036 2 1 -8.09833702099735 3140303 CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)C 1 3.902 3 5 0 -14.703137265145 3140265 CC(=NNC1=NC(=O)CC(S1)C(=O)NC2=CC=CC=C2F)CCC3=CC4=C(C=C3)OCO4 1 3.406 4 4 0 -9.44779399064199 3140264 CCCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N=C(S2)NN=C(C)CCC3=CC4=C(C=C3)OCO4 1 4.057 4 5 0 -9.55506826390254 3140151 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC)C3=CN=CC=C3 1 1.644 7 1 0 -20.0124101591993 3140076 CC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C4=NN=C(O4)C5=CC=CC=C5[N+](=O)[O-] 1 4.226 5 3 0 -2.26843538680647 3140051 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 3.196 4 5 0 -15.6667010526283 3139998 CN1C(=O)CC(SC1=NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4F 1 3.081 3 4 0 -4.2937207881601 3139986 CCCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC(=CC=C3)OC)S2)C 1 3.948 3 4 0 -3.09974662865358 3139957 CN1C(=O)CC(SC1=NC2=CC=CC=C2OC)C(=O)NC3=CC=C(C=C3)F 1 3.297 3 3 -3.31064935637148 3139951 CN1C(=O)CC(SC1=NC2=CC=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)F 1 3.297 3 3 -2.69255122102727 3139915 CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)OC)OC)C3=NC4=CC=CC=C4S3)O 1 2.881 2 5 0 -19.9805087399871 3139880 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CC(OC(C3)C)C 1 1.791 2 4 0 -2.94272555635669 3139874 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3CCCO3 1 1.171 2 4 0 -10.949602557094 3139863 CCOC(=O)C1CCCN(C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C 1 2.313 2 4 -1.38276744773004 3139804 CN1C2=CC=CC=C2OC3=NN=C(C=C31)N4CCN(CC4)CC5=CC=CC=C5 1 3.859 5 1 10.9736431617974 3139769 CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C(F)(F)F 1 2.652 2 1 -2.32926806305551 3139744 CC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=C(C=C2)O)C(=O)OCC=C 1 2.863 1 5 -19.9053537743821 3139698 CC1CC(NC2=C1C=C(C=C2)N=O)(C)C 1 3.25 2 1 -2.92427539470101 3139682 CC(C)CC(=O)NNC(=O)C1=CC=C(C=C1)Cl 1 2.246 2 2 -8.45571684251875 3139624 C1=CC(=CC=C1C(=O)COC2=C(C=C(C=C2Cl)Cl)Cl)Cl 1 5.727 0 2 -1.65971958414196 3139598 CCOC1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C 1 1.884 5 1 0 2.56467728943668 3139557 CCN=C1N(C(=O)CC(S1)C(=O)NC2=CC(=CC=C2)Cl)CC 1 2.893 3 2 -4.44465229193422 3139558 CCN=C1N(C(=O)CC(S1)C(=O)NC2=CC=CC(=C2)C)CC 1 2.715 3 2 -5.30587599531053 3139559 CCN=C1N(C(=O)CC(S1)C(=O)NC2=CC=C(C=C2)OC)CC 1 2.212 3 3 -7.6064877577838 3139560 CCN=C1N(C(=O)CC(S1)C(=O)NC2=CC=CC=C2)CC 1 2.229 3 2 -7.35017568701301 3139566 CCN=C1N(C(=O)CC(S1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)CC 1 3.558 3 2 -6.26613634757641 3139562 CCN=C1N(C(=O)CC(S1)C(=O)NC2=CC=C(C=C2)OCC)CC 1 2.561 3 3 -8.15441160628467 3139430 CC(C1=CC=CC=C1)C(CC(=O)NC2=CC=C(C=C2)OC)C(=O)O 1 2.981 1 4 -9.87119475200816 3139429 CC(C)CC(=O)NC1=CC=CC2=C1C(=O)N(C2=O)C3=CC=CC=C3 1 2.934 2 3 -16.4603428121788 3139421 CC(CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Br)O 1 1.948 5 3 0 -6.4024517179334 3139419 CC(CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Cl)O 1 1.864 5 3 0 -4.94579197283196 3139418 CC(CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=CC=C3)Cl)O 1 1.864 5 3 0 -4.77016946918229 3139411 CN1C2=C(N=C1NCCCOC)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C 1 1.957 5 3 0 -8.2180424862857 3139400 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCO3)CC4=CC=CC=C4 1 1.72 5 3 0 -20.1719614402642 3139396 CN1C2=C(N=C1NCCOC)N(C(=O)N(C2=O)CC3=CC=CC=C3F)C 1 1.436 5 3 0 -11.8446927411441 3139336 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C 1 1.566 4 5 0 -14.2907500471891 3139334 CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)CCC2=CC=CC=C2 1 3.432 2 3 -8.76950704079057 3139333 C1=CC=C(C=C1)CCC(=O)NNC(=O)COC2=CC=CC=C2Cl 1 2.862 2 3 -10.9636187648922 3139332 C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CCC4=CC=CC=C4 1 3.253 2 2 -10.2387146001018 3139331 COCCNC(=O)C(=O)NNC(=O)CCC1=CC=CC=C1 1 -7.9e-002 3 4 0 -19.3471253329486 3139330 CC(C)NC(=O)C(=O)NNC(=O)CCC1=CC=CC=C1 1 0.778 3 3 0 -18.132678671484 3139327 CC1=CC(=C(C=C1)OCC(=O)NNC(=O)CCC2=CC=CC=C2)Br 1 3.432 2 3 -9.85279155574618 3139326 CC1=C(C=CC(=C1)OCC(=O)NNC(=O)CCC2=CC=CC=C2)Br 1 3.432 2 3 -10.0049479995725 3139325 C1=CC=C(C=C1)CCC(=O)NNC(=O)COC2=CC=C(C=C2)Br 1 2.946 2 3 -9.84972982820627 3139324 CC1=CC=C(C=C1)OCC(=O)NNC(=O)CCC2=CC=CC=C2 1 2.684 2 3 -10.2150687736916 3139323 CC1=CC(=CC=C1)OCC(=O)NNC(=O)CCC2=CC=CC=C2 1 2.684 2 3 -9.22062021107764 3139322 CC1=CC=CC=C1OCC(=O)NNC(=O)CCC2=CC=CC=C2 1 2.684 2 3 -10.3066245111603 3139321 C1=CC=C(C=C1)CCC(=O)NNC(=O)COC2=CC=CC=C2 1 2.197 2 3 -10.9963342477087 3139319 COC(C1=CC=CC=C1)C(=O)NNC(=O)CCC2=CC=CC=C2 1 2.153 2 3 -23.0468135331325 3139318 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CCCCC2 1 2.522 2 3 -6.77463844313315 3139316 CC(C)CNC(=O)C(=O)NNC(=O)C1CCCCC1 1 1.215 3 3 0 -10.3122961520609 3139294 CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C=NNC(=O)CC(=O)NC3CCCCC3 1 4.762 4 2 -8.68702558340582 3139281 CC(C(=O)N(C)CC1=CC=CC=C1)N(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 2.264 2 4 -5.84688504325884 3139257 CC(C)CNC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C 1 1.863 2 3 0 -14.9059036186487 3139244 CC1=CC(=C(C=C1)OC)N(CC(=O)NN=CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 1.89 3 6 0 -15.02305571811 3139240 CCOC1=CC=C(C=C1)NC(=O)C(=O)NN=CC2=CC=C(O2)CNS(=O)(=O)C3=CC=CC=C3 1 2.249 4 6 0 -12.5812574812069 3139226 COC(=O)CN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)NC3=O 1 1.07 3 5 0 -9.48276681998195 3139192 CCN(CC)C(=O)CN(C1=CC=CC(=C1)C(F)(F)F)S(=O)(=O)C 1 1.852 2 3 0 -10.665923518903 3139171 CC1=C(C=C(C=C1)Cl)N(CC(=O)NC(C)C2=CC=CC=C2)S(=O)(=O)C 1 3.118 2 3 -15.0069381054814 3139121 CCC(C)NC(=O)CN(C1=C(C=CC(=C1)Cl)OC)S(=O)(=O)C 1 1.904 2 4 0 -18.5184999494931 3139106 CC1=CC(=CC(=C1)CSCC(=O)NN=CC2=CC=C(C=C2)OCC(=O)NCC3=CC=CO3)C 1 3.864 3 4 0 -18.5109824032835 3139102 CCC(C)NC(=O)CSC1=CC=C(C=C1)Cl 1 3.346 1 1 -10.8971703405991 3139086 CCC(C)NC(=O)CN(C1=CC(=CC(=C1)Cl)Cl)S(=O)(=O)C 1 2.585 2 3 -17.0255251275563 3139076 CC(C)CNC(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)CC3=CC=CC=C3 1 3.646 2 2 -18.807978185495 3139069 CC1=C(C=CC=C1Cl)N(CC(=O)NC(C)C2=CC=CC=C2)S(=O)(=O)C 1 3.118 2 3 -15.9839232476788 3139057 CC1=CC(=CC(=C1)CSCC(=O)NN=CC2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3OC)C 1 4.659 3 4 0 -15.8738444447507 3139052 C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(O2)C=NNC(=O)C(=O)NC3=CC=C(C=C3)F 1 2.123 4 5 0 -10.6901910948895 3139045 CCC(C)NC(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)CC3=CC=CC=C3 1 3.704 2 2 -23.2642826827997 3139036 CC(C(=O)NCCOC)N(C1=CC=C(C=C1)OC)S(=O)(=O)C 1 0.343 2 5 0 -13.1531325671953 3139012 CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)C=NNC(=O)CC(=O)NC3CCCCC3)C 1 4.405 4 2 -9.57994676337528 3139009 COCCCNC(=O)CN(C1=CC(=CC(=C1)Cl)Cl)S(=O)(=O)C 1 1.267 2 4 0 -18.0734646567829 3139007 CCN(CC)C(=O)CN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CC=C2 1 3.151 2 3 -13.2563133246598 3138984 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC(C)C2=CC=CC=C2)C3=CC=C(C=C3)OC 1 4.014 2 4 -16.4326381497655 3138982 CC1=CC(=C(N1C2=C(C(=CC=C2)Cl)Cl)C)C=NNC(=O)CC(=O)NC3CCCCC3 1 4.762 4 2 -8.75597841816857 3138980 CC(C1=CC=CC=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C 1 2.173 2 3 -15.0167462958455 3138976 CC(C(=O)NN=CC1=CC=C(C=C1)OCC(=O)NCC2=CC=CO2)SCC3=CC=CC=C3 1 3.376 3 4 0 -18.2050923223128 3138949 CC1=CC(=C(C=C1)OC)N(CC(=O)NC(C)C2=CC=CC=C2)S(=O)(=O)C 1 2.437 2 4 -16.6324980091981 3138933 C=CCN1C(=O)C(SC1=NC2=NC=CS2)CC(=O)NC3=CC=CC=C3F 1 2.927 4 2 -14.9233162375273 3138932 CCNC(=O)CC1C(=O)N(C(=NC2=C(C=CC(=C2)Cl)Cl)S1)CC=C 1 3.826 3 2 -13.665564793108 3138930 CCNC(=O)CC1C(=O)N(C(=NC2=CC=CC=C2OC)S1)CC=C 1 2.48 3 3 -17.6720518461895 3138929 CCC1=CC=CC=C1N=C2N(C(=O)C(S2)CC(=O)NCC)CC=C 1 3.439 3 2 -17.4939923577205 3138926 C1CCC(C1)NC(=O)C(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)Cl 1 3.644 3 3 -1.58637890920748 3138915 COCCNC(=O)CN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Br 1 2.529 2 4 -22.0377120317048 3138910 CC(C)NC(=O)CN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC 1 2.621 2 4 -21.5420476424845 3138898 CCOC(=O)C(=O)NC(C)C1=CC=CC=C1 1 1.684 1 3 0 -7.07677214017378 3138897 CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=O)CN(C3=CC=CC=C3Cl)S(=O)(=O)C 1 3.725 3 6 0 -15.3788507804305 3138894 CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=O)CN(C3=CC=CC(=C3)C)S(=O)(=O)C 1 3.547 3 6 0 -13.0123115204933 3138836 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C)C3=CN=CC=C3 1 1.295 7 1 0 -19.9889758949825 3138816 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3 1 2.9 4 3 0 -13.8926615211058 3138753 CCCCC(=O)NC(C1=CC=CO1)C2=CC(=C3C=CC=NC3=C2O)Cl 1 4.046 2 3 -9.69479248339387 3138755 CCCC(=O)NC(C1=CC2=C(C=C1)OCO2)C3=CC(=C4C=CC=NC4=C3O)Cl 1 4.069 2 4 -9.20149194642888 3138786 C1C2=C(C(SC3=CC=CC=C3N2)C4=CC=C(C=C4)F)C(=O)O1 1 3.551 1 2 -8.6028963277251 3138784 COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C=C5)O)OC)C(=O)C2)OC 1 4.373 2 5 0 -30.0864810802744 3138773 CC1=C(C(C2=C(N1)CCCC2=O)C3=CN=CC=C3)C(=O)OCCOC(C)C 1 1.554 2 4 0 -38.3241459416393 3138739 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CCCO2 1 1.905 1 4 0 -20.8167497597467 3138641 CC1=CC(=C(C=C1)OC)N(CC(=O)N2CCCC2)S(=O)(=O)C3=CC=CC=C3 1 2.72 2 4 -14.4388778882976 3138631 CCOC1=CC=C(C=C1)N(CC(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.82 2 4 -18.9053159339848 3138623 CC(C)NC(=O)C1COC2=CC=CC=C2O1 1 1.537 1 3 0 -9.45556554447178 3138601 CN(C)C1=NC(=NC(=N1)OCCNC(=O)COC2=C(C=C(C=C2)Cl)Cl)N(C)C 1 2.597 6 3 0 -10.0827992299967 3138594 COC(=O)C1=CC=C(O1)CSC(=N)N 1 1.335 2 3 0 -6.01118794913177 3138593 C=CCN1C(=O)C2=C(N=C1SCC=C)SC3=C2CCC4=CC=CC=C43 1 5.667 2 1 -22.9263393748602 3138592 CCN1C(=O)C2=C(N=C1SCC=C)SC3=C2CCC4=CC=CC=C43 1 5.399 2 1 -19.4827717149758 3138590 CC1CC2=C(C(=O)N1)NC3=C2C=C(C=C3)OC 1 2.058 2 2 -0.273476114624741 3138587 CN(C)C1=CC2=C(C=C1)N=C3C(=O)NC(=O)N=C3N2CC(C(C(CO)O)O)O 1 -1.065 5 6 0 -12.940317482294 3138582 CCC(C(=O)OCC1=CC=CC=C1)SC2=NNC(=O)NC2=O 1 2.067 3 4 0 -20.5887960383611 3138576 C1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-] 1 3.138 3 8 0 -10.3447033802268 3138575 C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-] 1 1.321 3 9 0 -10.6000153563346 3138574 C1=CC=C(C=C1)C(C(=O)NNC2=C3C=CC=CC3=NC4=CC=CC=C42)O 1 3.542 3 2 -1.39663696786227 3138573 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC(=O)C4=CC=CC=C4Cl 1 4.824 3 1 1.35402604022049 3138572 CC(C)(C)OC(=O)NNC1=C2C=CC=CC2=NC3=CC=CC=C31 1 4.07 3 2 0.300082800776874 3138569 COC1=CC=C(C=C1)OCC(=O)NNC2=C3C=CC=CC3=NC4=CC=CC=C42 1 3.979 3 3 0.528239446458141 3138567 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC(=O)C4=CC=CC=C4O 1 3.918 3 2 5.40489071247488 3138566 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC(=O)C4=CC=C(C=C4)O 1 3.918 3 2 4.78455773895975 3138504 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)COC3=CC=C(C=C3)Br 1 4.05 3 3 -13.2069643197857 3138401 CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.757 4 5 0 -12.819167952061 3138397 C1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.271 4 5 0 -15.3119211955732 3138395 C1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.271 4 5 0 -13.7151775912971 3138394 CCCCC(=O)NC(=S)NNS(=O)(=O)C1=CC=CC=C1 1 2.291 3 3 -13.8181149529475 3138388 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)CC#N 1 2.598 4 2 -17.6406591162941 3138386 CCCCC(=O)NNC(=S)NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 4.118 3 2 -16.6146423224861 3138383 CC1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.889 4 5 0 -13.8708781610236 3138382 C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Br)[N+](=O)[O-] 1 3.151 4 5 0 -13.4139834780696 3138380 CCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 3.424 4 5 0 -11.6950402517668 3138378 CCCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 3.88 4 5 0 -13.5168714506409 3138377 CCCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 2.939 4 4 0 -13.1337447844267 3138375 CCCCCC(=O)NC(=S)NNC(=O)CC 1 2.047 3 2 -11.1537708005227 3138373 CCCCC(=O)NC(=S)NNC(=O)CC#N 1 0.983 4 2 0 -15.2755700073392 3138370 CCCCC(=O)NC(=S)NNC(=O)CC 1 1.591 3 2 0 -10.5112830908759 3138367 CC(=O)NC(=S)NNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 2.538 3 2 -10.9767449813997 3138364 CCCCCC(=O)NNC(=S)NC(=O)C 1 1.38 3 2 0 -12.6455186984738 3138363 C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2O)[N+](=O)[O-] 1 2.326 4 5 0 -7.70828164530095 3138362 C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-] 1 2.462 5 6 0 -11.2307057376811 3138361 C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.568 4 4 0 -11.9349002394496 3138360 CCCCCC(=O)NNC(=S)NC(=O)C1=CC=CC=C1[N+](=O)[O-] 1 2.939 4 4 0 -17.3670083470598 3138352 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)O 1 2.326 4 5 0 -8.73168116686174 3138350 C1=CC=C(C(=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])O 1 2.326 4 5 0 -8.30715060159976 3138349 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)Br 1 3.316 4 4 0 -10.2462163325155 3138348 CCCCCC(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-] 1 2.939 4 4 0 -17.2745451288735 3138347 CCCCC(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-] 1 2.483 4 4 0 -16.6320574192267 3138345 CC(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-] 1 0.903 4 4 0 -10.8919929476828 3138342 C1=CC=C(C(=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O 1 2.326 4 5 0 -6.87388898599757 3138341 CCCCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 2.939 4 4 0 -15.9386777397961 3138340 CCCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 2.483 4 4 0 -15.2961900301493 3138337 CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCN2CCOCC2 1 1.437 4 3 0 -11.3280757576465 3138335 CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.054 4 4 0 -8.21703628004396 3138334 CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.054 4 4 0 -10.6115552780009 3138333 CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 3.054 4 4 0 -12.4409807922522 3138331 CCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 2.026 4 4 0 -13.9128436292652 3138330 CCCCC(=O)NNC(=S)NC(=O)CCC 1 2.047 3 2 -14.2261663056254 3138328 CCC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)Br 1 2.26 3 3 -7.25976074339203 3138325 CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)O 1 1.434 3 3 0 -4.91316378250574 3138324 CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 1.57 4 4 0 -8.88743568100212 3138323 CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1[N+](=O)[O-] 1 1.57 4 4 0 -11.7859074055901 3138313 C=CCNC(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)CC3=CC=CC=C3 1 3.071 2 2 -21.9000882313973 3138277 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC(=CC=C3)Cl 1 3.052 1 3 0.426125664926229 3138274 C1CC(OC1)CNC(=O)NC2=CC=CC=C2 1 1.305 2 2 0 -10.0024615292774 3157059 CC(C)OCCCNC(=O)C1=CC=C(C=C1)CN2CCC3=CC=CC=C3C2 1 3.427 2 2 -14.7569596537434 3157056 CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)Cl 1 3.931 1 3 -6.03324462368107 3157054 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)OC 1 1.683 2 5 0 -17.9649510371961 3157053 CC(C)OCCCNC(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)CC3=CC=CO3 1 2.293 2 4 -23.2446934796905 3157050 CCCN1CC23C=CC(O2)C(C3C1=O)C(=O)O 1 -0.174 1 4 0 -2.31432397189189 3138233 CCOC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=NC(=CS4)C5=CC=CC=C5 1 5.558 6 2 0 -13.3177253904909 3138232 CCOC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4Cl 1 6.225 4 1 -13.6713979318145 3138212 C1=CC=C2C=C(C=CC2=C1)OCC3=NN=C(O3)SCC(=O)N 1 1.81 3 3 0 -13.19509904942 3138210 CC1=CC(=C(C=C1Br)C)S(=O)(=O)NCC2CCCO2 1 2.82 1 3 -7.88140309429592 3138197 CC(C)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C 1 1.992 3 4 0 -10.0439106773874 3138196 CC1=CCC(C(C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C(=O)O 1 2.414 2 5 0 -10.1304113071161 3138173 CC1=CC=C(C=C1)C(=O)NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 3.88 3 3 -6.12724058230902 3138170 CS(=O)(=O)NCCCNC1=C(C=CC=C1Cl)[N+](=O)[O-] 1 1.242 3 4 0 -7.94124013401418 3157044 C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CO3 1 3.083 3 2 -8.56215571958953 3157043 CC(C)OC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N)OC 1 4.376 3 3 -9.56575039118833 3157041 C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CS3 1 3.641 3 1 -7.89255278721082 3157040 COC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N)OC 1 3.65 3 3 -9.15295369547386 3157030 C1CCC2=C(C1)C(=CS2)C3=NC(=S)NN3 1 2.941 3 0 -4.9561548720626 3157022 CC1=NC(=CC=C1)NC2=NC(=O)C(S2)CC3=CC=CC=C3 1 3.593 3 1 -3.89229231143604 3157019 C1=CC=C(C=C1)CC2C(=O)N=C(S2)N=C(N)N 1 1.328 4 1 0 -3.84915032630765 3157018 CC1=CC=CC=C1CC2C(=O)N=C(S2)N=C(N)N 1 1.814 4 1 0 -3.98383998628937 3157016 C1C(=O)N(C(=N)S1)C2=NC=C(S2)CC3=CC=C(C=C3)F 1 2.929 3 1 -5.72017400877809 3157015 C1C(=O)N(C(=N)S1)C2=NC=C(S2)CC3=CC(=CC=C3)Cl 1 3.388 3 1 -5.16116116131856 3157014 C1C(=O)N(C(=N)S1)C2=NC=C(S2)CC3=CC=CC=C3Cl 1 3.388 3 1 -6.24957254797516 3157009 C1=CC(=C(C=C1NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)Cl)Cl 1 3.392 5 1 -4.2909038751838 3157005 CC1=CC(=NC(=N1)Cl)SC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.985 7 2 0 -1.27014590002353 3157004 CC1=CC(=NC(=N1)Cl)SC2=NC(=NC(=N2)N(C)C)N3CCOCC3 1 2.297 7 1 0 -2.69429659033219 3157003 CC1=CC(=NC(=N1)Cl)SC2=NC(=NC(=N2)N(C)C)N(C)C 1 2.609 7 0 0 -1.74855646038394 3157002 CC1=CC(=NC(=N1)Cl)SC2=NC(=NC(=N2)NC(C)C)NC(C)C 1 3.65 7 0 0 -5.99247147100146 3156997 C1=CC=C(C=C1)C(CCNC(=O)C2=CC=CS2)C3=CC=CO3 1 3.82 1 2 -14.850282291734 3156992 C1=C(SC(=C1)Cl)C2=CC(=NN2)C(=O)O 1 2.554 2 2 2.33253494956521 3156987 CC1CCCCN1C(=O)C2COC3=CC=CC=C3O2 1 2.311 1 3 -5.82913009858585 3156984 CC(C)N1CC(CC1=O)C(=O)NC2=CC=CC=C2 1 1.035 2 2 0 -4.6265372494755 3156979 CCOC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 2.424 2 3 -5.00844735760619 3156974 CCCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.675 2 5 0 -17.8058759919668 3156970 CCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3F 1 2.424 2 3 -4.50022324065417 3156949 CCCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.131 3 4 0 -10.2636929917218 3156945 CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)C(C)C)C 1 2.008 2 2 -4.71779792574226 3156938 CCCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)CC 1 1.824 3 3 0 -12.7520245363722 3156935 CC1=CC(=CC=C1)NC(=O)C(=O)NCC2=CC=CC=N2 1 1.438 3 2 0 -9.56954532782097 3156933 CCCC(C)NC(=O)CN1C2=CC=CC3=C2C(=CC=C3)C1=O 1 2.664 2 2 -11.1993670313439 3156932 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CO3 1 2.017 2 3 -14.2100961292924 3156931 CC(C)N1CC(CC1=O)C(=O)NC2=CC=C(C=C2)NC(=O)C 1 0.156 3 3 0 -7.65980084785539 3156925 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CS3)C 1 2.605 2 2 -14.5437360966072 3156924 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Cl 1 1.671 3 3 0 -3.80167050336979 3156922 CC(C(=O)NCC1=CC=CO1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.714 2 4 0 -14.7459951214259 3156917 COCCNC(=O)C(=O)NCCN1CCOCC1 1 -1.577 3 4 0 -14.4327914208956 3156904 CCCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCCC2 1 1.979 2 3 0 -13.7662357968292 3156894 C1CN(CCC1NCCNC(=O)C2=CC=CS2)CC3=CC=CC=C3 1 2.288 3 1 -3.52832850312003 3156893 C1CC(CCC1C2=CC=CC=C2)NCCNC(=O)C3=CC=CS3 1 3.736 2 1 -4.99224409608111 3156890 C1CCC(CC1)NCCNC(=O)C2=CC=CO2 1 1.894 2 2 0 -6.15901614110526 3156885 CC1CCC(CC1)NCCNC(=O)C2=CC=CO2 1 2.146 2 2 -8.40272528721775 3156882 C1=CC=C(C(=C1)C(=O)NCCNCC2=CC=CS2)F 1 2.169 2 1 -10.1472053364767 3156870 COC1=CC(=CC(=C1OC)OC)CNCCNC(=O)C2=CC=CS2 1 2.128 2 4 -12.2742211773395 3156868 COC1=CC(=C(C=C1CNCCNC(=O)C2=CC=CO2)OC)OC 1 1.57 2 5 0 -8.48125620626095 3156867 COC1=C(C(=C(C=C1)CNCCNC(=O)C2=CC=CS2)OC)OC 1 2.128 2 4 -8.59227047254055 3137936 CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C)C(=O)OC)C 1 2.64 2 4 -17.5364391300384 3137931 CCC(=O)NC1=NC=C2C(=N1)CC(CC2=O)C3=CC=CO3 1 1.356 3 3 0 -18.9817500792484 3137924 CCC(C(=O)O)N1C(=O)C2CCCCC2C1=O 1 1.368 1 4 0 -10.5089962860781 3137845 CC(C)C1=CC2=C(C=C1)N3CCN(C(C3=O)CCCC2=O)C(=O)C 1 2.021 2 3 -5.59876321015515 3137843 CC1=CC2=C(C=C1)N3CCN(C4C3=C(C2=O)CC4)CC5CO5 1 2.411 2 2 -0.350156462371545 3137841 CC1=CC2=C(C=C1)N3CCCN(C4C3=C2CCC4)CC5=CC=CC=C5 1 5.554 2 0 10.342834873221 3137831 CC1=C(S/C(=C/2\SC(=C(S2)SCCC#N)C)/S1)SCCC#N 1 5.131 2 0 -6.23899820020513 3137828 CCN(CC)C(=S)SCC(=O)C1=CC=CC=C1 1 4.158 1 1 -6.35623131499067 3137815 CC1=CC(=CC=C1)NC(=O)C(C)C(=O)C2=CC=CC=C2 1 3.483 1 2 -5.3024017378571 3137803 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=C(CCC4)C=C3C#N 1 3.382 3 3 -7.08062761582645 3137802 CCCC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC 1 3.724 3 3 -3.39951290637217 3137801 CC1=CC(=NC(=C1C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC)C 1 3.087 3 3 -4.49858738744992 3137796 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC(=N3)CC(C)C)C#N 1 4.325 3 3 -3.30112183250526 3137792 CC1CCCC(N1C(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O)C 1 2.929 1 4 -12.9040661224007 3137786 C1=CC=C2C(=C1)C(=NS2(=O)=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.347 4 5 0 -9.77333418155632 3137785 CCN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC 1 2.048 3 4 0 -2.76866034274799 3137773 CC1=NN(C=C1)CC(C)C(=O)O 1 0.954 2 2 0 -11.051201439628 3137738 C1C2C=CC1C3C2C(=O)N(C3=O)CCCCCCN4C(=O)C5C6CC(C5C4=O)C=C6 1 1.594 2 4 0 -1.76873050292825 3137733 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4CC=C(CC4C3=O)Cl 1 3.013 2 4 -7.67195846150785 3137728 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)N4C(=O)C5C6CC(C5C4=O)C=C6 1 3.845 2 5 0 -14.9934592873911 3137722 C1COCCN1C(=O)C2=CC=C(C=C2)N3C(=O)C4CC=C(CC4C3=O)Cl 1 1.346 2 4 0 -9.61964532852146 3137721 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4CC=C(CC4C3=O)Cl 1 3.515 2 3 -7.25899225236371 3137720 CC1(CC(CCO1)(CNCC2=CC3=C(C=C2)OCO3)O)C 1 0.876 1 4 0 -4.28688067664491 3137703 CC(C)CCOC1=CC=C(C=C1)C(=O)CCNC(C(C)C)C(=O)O 1 0.956 1 4 0 -11.3722440425666 3137696 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCOC 1 0.754 4 3 0 -18.4470577388582 3137674 COC1=CC=C(C=C1)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O 1 2.293 2 4 -17.1770652512522 3137672 CC1=C(C=C(C=C1)C(=O)O)N2C(=O)CCCC2=O 1 1.562 1 4 0 -8.23255749453964 3137668 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCNC3=O 1 0.359 5 4 0 -23.2011199486641 3137656 CC(CC1=CNC2=CC=CC=C21)NC(=O)C3CCCNC3=O 1 1.845 3 2 0 -18.6893857403195 3137654 COC1=CC(=CC(=C1OC)OC)C(=O)NCCNC(=O)C2CCCNC2=O 1 7.7e-002 3 6 0 -28.2050914864787 3137650 COC1=CC=C(C=C1)NC(=O)C2CCCNC2=O 1 0.829 2 3 0 -14.7320246743257 3137636 C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CC=C3)NCC(=O)NN 1 2.791 4 2 -8.85444042057718 3137629 CC1=CC2=C(C=C1)N=C(N(C2C3=CC=CC=C3)CC(=O)NN)C4=CC=C(C=C4)OC 1 3.278 4 2 -5.01875920312944 3137588 CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4C(=CC(=N4)C)C)N(C(=O)N(C3=O)C)C)O 1 2.704 6 4 0 -14.1553591348906 3137574 CCC(C)SC1=NC2=C(N1CC(COC3=CC=CC=C3C)O)C(=O)NC(=O)N2C 1 3.635 4 4 0 -7.25844521131422 3137550 CC1(CC2=C(C=C(C(=N2)SC)C#N)C(=O)C1)C 1 2.625 2 1 -12.9992715284417 3137533 CC1=C(C2=CC=CC=C2N1)C(C[N+](=O)[O-])C3=CC=CO3 1 3.238 2 3 -4.46104796424707 3137514 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCCC(=O)O)C3=CC=CC=C3 1 3.036 2 4 -14.4418484356322 3137491 CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=NC=C4 1 3.291 6 1 0 -25.6320215569963 3156828 COC1=CC(=CC(=C1)C(=O)NCCNC(=O)C2=CC=CO2)OC 1 1.257 2 5 0 -10.8855550216598 3156821 C1=COC(=C1)C(=O)NCCNC(=O)C2=CC=C(C=C2)F 1 1.495 2 3 0 -7.39071754307901 3156743 CCN1CCCC1CNC(=O)C(=O)NC(C)C 1 0.431 3 2 0 -20.8082484073601 3156746 C1CCN(C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.093 2 3 -14.7815776069927 3156748 CCN1CCCC1CNC(=O)C(=O)NC2=CC=C(C=C2)OCC 1 1.613 3 3 0 -16.4117896756928 3156754 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCOC 1 1.179 2 4 0 -23.0446426684526 3156759 CCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2 1 2.333 2 3 -21.6021891363317 3156762 CCC(C)NC(=O)C(=O)NCC1CCCN1CC 1 0.954 3 2 0 -20.3287750903114 3156763 CCN1CCCC1CNC(=O)C(=O)NC2=CC=CC=C2OCC 1 1.613 3 3 0 -19.3309097364227 3156778 CC1=CC2=C(C=C1C)N(C=N2)CC(COC3=CC(=CC(=C3)OC)OC)O 1 3.612 2 4 -1.9779165232266 3156771 CC1=CC=CC=C1OCCN2C3=C(C=CC=C3C)C(=O)C2=O 1 3.481 1 3 3.2375699549533 3156770 CCOC(=O)CN1C2=C(C=C(C=C2)C)C(=O)C1=O 1 1.418 1 4 0 1.45812980219401 3156767 CCNC1=NC(=NC(=N1)OCCNC(=O)C)N(C)C 1 -8.8e-002 6 2 0 -11.4112421865749 3156766 CC1=CC(=NC(=N1)N)SCCOC2=CC=CC=C2 1 2.821 3 1 -1.95669253852452 3156765 CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCOCC2 1 0.55 2 5 0 -15.1420286308698 3137484 CCOC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C 1 3.113 5 5 0 -21.9310995932296 3137390 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CN=CC=C3 1 1.749 5 3 0 -19.6573722298392 3137385 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NN=C(O3)SCC4=C(C=C(C=C4)Cl)Cl 1 5.909 3 2 -12.8753276391123 3137384 CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC=CC=C3NC(=O)C4=CC=CC=C4 1 5.981 3 2 -11.1967406890619 3137383 C1=CC=C(C(=C1)NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3)[N+](=O)[O-] 1 1.958 6 3 0 -10.2258637199699 3137374 CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4 1 4.441 5 1 -9.14304775942724 3137370 C1=CC=C(C=C1)CNC(=S)NNC(=O)COC2=CC=C(C=C2)Cl 1 3.503 3 2 -9.7029952213961 3137369 C1=CC=C(C=C1)CNC(=S)NNC(=O)CNC2=CC(=CC=C2)Cl 1 3.328 4 1 -9.73594721502984 3137368 C1=CC=C(C=C1)CNC(=S)NNC(=O)COC2=CC=C(C=C2)Br 1 3.586 3 2 -11.1596549664975 3137359 CCN(CC)CCNC(=O)C(C)C1=NN(C(=O)C2=CC=CC=C21)C 1 1.727 4 2 0 -11.1094167386318 3137305 CCCC(C)NC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 4.003 1 2 -11.0886266921493 3137300 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 2.732 4 6 0 -5.94044488209352 3137294 CC(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC 1 0.474 3 4 0 -15.8986809766899 3137283 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.678 2 3 -20.6640846767565 3137246 COC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OCC3=CC=CO3)C4=CC=CC=C4 1 3.978 0 5 -4.22531951743132 3137243 CC1=CC(=C(C=C1)C)NC2=CC(=NC3=CC=CC=C32)C 1 4.821 2 0 4.66596777658729 3137242 CC1=NC2=CC=CC=C2C(=C1)NC3=CC=C(C=C3)[N+](=O)[O-] 1 3.743 3 2 2.62735766761786 3137241 CC1=CC(=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2)O 1 4.082 2 2 -21.3703652555684 3137239 CC1=CC=C(C=C1)N2C3=C(C(C(=C(O3)N)C#N)C4=CC=C(O4)C)C(=N2)C 1 3.311 4 2 -8.30047248455189 3137181 CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N)C 1 2.732 4 3 0 -6.78202197019435 3137159 CC1=CC=C(C=C1)C2=NN=C(O2)CSC3=NN=C(N3C4=CC=CC=C4)COC5=CC=CC6=CC=CC=C65 1 6.29 5 2 0 -8.03660671362239 3137047 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3 1 3.079 4 1 -14.8579317366785 3136984 CN1C=C(C(=N1)C(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 0.738 6 6 0 -8.21564571463519 3136959 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NN=C(S3)C 1 3.368 3 3 -29.6401334620046 3136945 C1CN(CCN1)C2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-] 1 1.494 4 2 0 -4.22831621430363 3136931 CCOC(=O)C1C2CC=CC2C3=C(N1)C=CC(=C3)C(=O)OCC 1 2.776 1 4 -4.41172785159934 3136927 C1C=CC2C1C(NC3=C2C=C(C=C3)Br)C(=O)O 1 2.746 1 2 2.04368378789784 3136920 CCC1=NN(C(C1)(C2=CC=NC=C2)O)C(=O)COC3=CC=CC=C3C 1 2.19 3 3 -3.57333149357304 3136912 C1C(CC(=O)C=C1NC2=CC(=CC=C2)O)C3=CC=CO3 1 2.472 1 3 -8.65870021667598 3136911 C1C(CC(=O)C=C1NNC(=O)C2=CN=CC=C2)C3=CC=CO3 1 0.471 3 3 0 -16.3442834653803 3136907 CC1=CC=CC=C1OCC(=O)N2C(CC(=N2)C3=CN=CC=C3)(C(F)(F)F)O 1 2.621 3 3 1.94104524986336 3136883 C1C(=NN(C1(C(F)(F)F)O)C(=O)CCC2=CC=CC=C2)C3=CC=NC=C3 1 2.79 3 2 0.435398070916517 3136880 C1C(=NN(C1(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3 1 2.228 4 4 0 -1.32296954930496 3136873 CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=COC=C2C 1 2.945 2 3 0.699252090737416 3136864 C1=CC(=CN=C1)C=NNC2=NC(=CS2)C3=CC=C(C=C3)Br 1 3.353 4 0 4.86901025312384 3136854 C1=CC(=CN=C1)C=NNC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.269 4 0 6.32566999822528 3136849 CC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC5=C(C=C4Br)OCO5 1 4.249 1 3 0.731460771261048 3136846 COC1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC5=C(C=C4Br)OCO5 1 4.492 1 3 2.33784413341427 3136845 CC1=CC(=C2C3C=CCC3C(NC2=C1)C4=CC5=C(C=C4Br)OCO5)C 1 5.481 1 2 -0.333486716748916 3136844 C1C=CC2C1C(NC3=CC=CC=C23)C4=CC5=C(C=C4Br)OCO5 1 4.509 1 2 1.826878416888 3136783 C1C=CC2C1C(NC3=C2C=C(C=C3)F)C4=CC5=C(C=C4Br)OCO5 1 4.714 1 2 4.22534045413276 3136748 C1C=CC2C1C(NC3=C2C=C(C=C3)C(=O)O)C4=CC5=C(C=C4Br)OCO5 1 4.139 1 4 1.39670227298067 3136719 CCC1=NN(C(C1)(C2=CC=NC=C2)O)C(=O)COC3=CC=CC=C3 1 1.704 3 3 0 -4.13842276508564 3136717 CCC1=NN(C(C1)(C2=CC=NC=C2)O)C(=O)CC3=CC=CC=C3 1 1.903 3 2 0 -6.25153224728991 3136714 CC(C)(C)C1(CC(=NN1C(=O)CCC2=CC=CC=C2)C(F)(F)F)O 1 3.813 2 2 2.81251524226304 3136711 CC1=NN(C(C1)(C2=CN=CC=C2)O)C(=O)COC3=CC=CC=C3 1 1.037 3 3 0 -5.72877205253203 3136707 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC(=C(C=C2)OC)OC 1 1.778 2 4 0 -6.62631836788474 3136692 CC1=C(C(=CC=C1)C)NC(=O)C2CCCN2C(=O)OC(C)(C)C 1 3.359 2 3 -13.0480928486719 3136684 CC(C(C(=O)NC1=CC=C(C=C1)OC)NC(=O)OC(C)(C)C)OCC2=CC=CC=C2 1 3.533 2 5 0 -15.7849775348637 3136681 CC1=CC(=CC(=C1)NC(=O)C2CCCN2C(=O)OC3=CC=CC=C3)C 1 4.004 2 3 -7.6317441114087 3136680 C1CCC(CC1)NC(=O)CCNC(=O)OCC2=CC=CC=C2 1 2.766 2 3 -14.7684535407595 3136671 COC1=CC=C(C=C1)CCNC(=O)C(=O)NCC2=CC=CC=N2 1 1.264 3 3 0 -11.8022483664075 3136669 CC1=CC=C(C=C1)C2=NNC3(S2)CCOC(C3)(C)C 1 3.276 2 1 -4.57968791050899 3136668 CCC1=CC2=C(C=C1)NC(=O)C23NN=C(S3)C4=CC=C(C=C4)C 1 4.04 3 1 -2.90075600663712 3136617 CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC(C)(C)C)C2=C(C=CC(=C2)Cl)OC)[N+](=O)[O-] 1 3.543 3 6 0 -21.3952286266796 3136605 C=CCNC(=S)NNC1=NC(=NC(=N1)N2CCCC2)N3CCCC3 1 1.849 8 0 0 -7.70040916105346 3136598 COCCCNC(=O)C1=CC=C(C=C1)CN2CCC3=CC=CC=C3C2 1 2.701 2 2 -13.4987518055546 3136592 CCN(CC)C(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2 1 2.381 3 5 0 -17.8578023705938 3136590 C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)NNC(=O)C4=CC=CC=C4 1 3.368 4 2 -9.83277835223053 3136583 CCC1(N(N=C(S1)N)C(=O)C)C 1 0.575 3 1 0 -6.73034471897639 3136581 CC(C)C1C(C(ON1C2=CC=CC=C2)(C)O)C(=O)OC 1 2.36 1 4 -3.13673812670628 3136579 C1CNC(=S)N(C1O)C2=CC=CC=C2 1 2.6 2 1 -6.29506319750405 3136571 CCC1=CC2=C(C=C1)NC(=O)C23NN=C(S3)C4=CC=CC=C4 1 3.554 3 1 -3.37527242295232 3136544 CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CCCO2)C 1 1.635 2 3 0 -14.9856701893458 3136543 C1CC(OC1)CNC(=O)C(=O)NCC2=CN=CC=C2 1 -0.481 3 3 0 -16.8922364334686 3136537 CC1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=CC=N2 1 1.438 3 2 0 -11.3597966546253 3136536 C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=CC=N2 1 0.952 3 2 0 -11.6848637900111 3136528 C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(CCC(=O)O)C(=O)O 1 1.13 2 7 0 -20.7540972568203 3136469 CCOC(=O)NC1=CC2=C(C=C1)S(=O)C3=CC=CC=C3N2C(=O)CCCl 1 2.802 2 4 -7.49798397671132 3136476 CSCCC(C(=O)O)NC(=O)C1=CC(=CN=C1)Br 1 0.929 2 3 0 -18.6505073060207 3136477 C1=C(C=NC=C1O)C(=O)NC(CCC(=O)O)C(=O)O 1 -0.687 2 6 0 -17.1604662377645 3136508 CC(C)(C)OC(=O)NCCCCC(C(=O)NC1=CC=C(C=C1)OC)NC(=O)OCC2=CC=CC=C2 1 4.221 3 6 0 -22.1344365894682 3136372 CCC(C)NC(=O)CN1C2=C(CCC2)C(=N1)C(F)(F)F 1 3.087 3 1 -15.8050504178907 3136371 CCCNC(=O)CN1C2=C(CCC2)C(=N1)C(F)(F)F 1 2.71 3 1 -14.8163093535348 3136370 CC(C1=CC=CC=C1)NC(=O)CN2C3=C(CCC3)C(=N2)C(F)(F)F 1 3.798 3 1 -12.633680223735 3136366 CC(C)(C)NC(=O)CN1C2=C(CCCC2)C(=N1)C(F)(F)F 1 3.225 3 1 -13.1267282562359 3136365 CCC(C)NC(=O)CN1C2=C(CCCC2)C(=N1)C(F)(F)F 1 3.543 3 1 -16.1138605387754 3136361 CCOC(=O)C(=O)NC1CCSC1=O 1 5.e-003 1 4 0 -11.3697911369183 3136355 C1CSC(=O)C1NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 2.849 1 2 -16.1197403832368 3136345 COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 1.069 3 7 0 -15.133398597643 3136344 CCCCC(CC)C(=O)NC1=CC=C(C=C1)C#N 1 3.783 2 1 -9.71824983307991 3136332 CCCCC(CC)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F 1 4.004 2 3 -8.06310767373667 3136329 CCCCC(CC)C(=O)NC1=NC=C(S1)[N+](=O)[O-] 1 2.92 3 3 -2.69568608078021 3136318 CCOC(=O)C(=O)NC1=CC=CC=C1C(=O)OC 1 1.155 1 5 0 -10.7911773694452 3136314 CC(C1=CC=CC=C1)NC(=O)N2CCOCC2 1 1.224 2 2 0 -10.187228514211 3136304 COC1=CC=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)C(=O)O 1 4.094 2 5 0 0.837333148746338 3136298 CC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C(=O)O 1 1.737 1 3 0 -0.710670035535214 3136296 C1C=CC2C1C(NC3=C2C=C(C=C3)C(=O)O)C4=CC=NC=C4 1 2.472 2 2 5.31149173264805 3136290 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 1.536 3 6 0 -19.4899992217039 3136273 CC(=O)N1C(OC(=N1)C2=CC=NC=C2)(C)CC3=CC=C(C=C3)OC 1 1.757 3 3 0 -3.54035285092425 3136261 C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=NC3=CC=CC=C3)S2)CCO 1 2.568 3 3 -7.97407625355185 3136260 CN1C(=O)C(SC1=NC2=CC=CC=C2)CC(=O)NCC3CCCCC3 1 3.72 3 2 -13.6346330614191 3136257 CN1C(=O)C(SC1=NC2=NC=CS2)CC(=O)NC3=CC=C(C=C3)OC 1 2.089 4 3 0 -8.74809180141607 3136250 CCN1C(=O)C(SC1=NC2=CC=CC=N2)CC(=O)NC3=CC=CC=C3 1 2.845 4 2 -6.53622482647344 3136237 CCNC(=O)CC1C(=O)N(C(=NC2=CC=C(C=C2)C)S1)CC 1 2.715 3 2 -11.5295558744894 3136232 COCCNS(=O)(=O)C1=CC=CC=C1 1 0.61 1 3 0 -8.55977924561116 3136225 COCCNC(=O)C(=O)NNS(=O)(=O)C1=CC=C(C=C1)Cl 1 -0.203 3 5 0 -15.8615327019699 3136222 COCCNC(=O)C(=O)NNS(=O)(=O)C1=CC2=CC=CC=C2C=C1 1 4.1e-002 3 5 0 -16.7205362291835 3136221 COC1=CC=CC=C1NC(=O)C(=O)NNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.732 3 5 0 -13.6976463651392 3136220 C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=NC=C2)[N+](=O)[O-] 1 1.068 3 4 0 -5.45651529934363 3136218 COC1=CC=CC=C1CC(=O)NNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.487 3 6 0 -14.4579300494372 3136213 COC1=C(C=C(C=C1)CC(=O)NNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])OC 1 1.471 3 7 0 -16.181224459095 3136188 COC(C1=CC=CC=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.26 3 6 0 -22.6466694611285 3136183 CCOC1=CC=C(C=C1)N(CC(=O)NCC2CCCO2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.939 2 5 0 -20.2539377818196 3136182 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CC3CCC2C3)C4=CC(=C(C=C4)OC)OC 1 3.638 2 5 0 -15.948872774964 3136181 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCC2=CC=C(C=C2)OC)C3=CC(=C(C=C3)OC)OC 1 3.925 2 6 0 -19.5241611148368 3136178 CS(=O)(=O)N(CC(=O)NCCSCC1=CC=CC=C1)C2=CC=CC=C2Br 1 2.952 2 3 -20.3394649396722 3136172 CS(=O)(=O)N(CC(=O)NCCSCC1=CC=CC=C1)C2=CC=CC=C2Cl 1 2.868 2 3 -20.8065239233343 3136155 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2 4 -12.7389387221563 3132812 C1=CC=C(C=C1)CC(C(=O)NN)NC(=O)OCC2=CC=CC=C2 1 2.002 3 3 -9.84742534973643 3132811 CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NN 1 1.629 3 3 0 -12.389874613275 3132792 C1CN(CCC1C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.882 3 6 0 -3.20538724594051 3132789 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=N3 1 1.949 7 3 0 -26.3912277835445 3132782 CCOC(=O)C1=C(N(N=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C 1 2.156 5 6 0 -13.4947761716636 3132765 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC)OC)C(=O)CCC(=O)O 1 3.05 2 5 0 -16.1621528209186 3132761 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)CCCC(=O)O 1 5.21 4 4 0 -6.72608350844738 3132760 COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=CS3)OC 1 2.517 2 5 0 -15.558987485405 3132758 COC1=CC=CC=C1C2CC(=NN2C(=O)CCC(=O)O)C3=CC=CS3 1 2.534 2 4 -13.1913809868401 3132757 C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.445 3 5 0 -14.5710318876586 3132755 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC)OC)C(=O)CCC(=O)O 1 2.548 2 6 0 -16.4063461811533 3132754 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3F)C(=O)CCC(=O)O 1 2.786 2 4 -13.7220790569488 3132752 C1CC(OC1)C(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)C(F)(F)F 1 3.067 2 2 -12.3616290580626 3132751 C1CC(OC1)C(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)Cl 1 2.789 2 2 -13.4655705942498 3132739 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O 1 2.421 4 5 0 -21.5909831258543 3132738 COC1=C(C=C(C=C1)C=NNC(=O)CC#N)OC2=NC(=NC=C2F)Cl 1 2.443 5 3 0 -11.6094237310246 3132737 COC1=C(C=CC(=C1)C=NNC(=O)CC#N)OC2=NC(=NC=C2F)Cl 1 2.443 5 3 0 -11.8079184624566 3132720 CCC1=NN=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C 1 2.025 5 2 0 -12.7024050100996 3132709 CC1=CC(=CC=C1)NC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl 1 4.069 3 1 -3.4513619944668 3132706 CC1=CC=C(C=C1)OCC(=O)NNC(=O)CN2N=C(N=N2)C3=CC=CC=C3 1 1.72 6 3 0 -4.88909954616199 3132705 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.292 7 4 0 -9.11092323898654 3132687 C1=CC(=CN=C1)C(=O)NC(=S)NNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.89 4 3 0 -10.8859322843119 3132681 COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CS2 1 2.645 3 3 -12.6915838548493 3132680 C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CS2 1 2.661 3 2 -13.1716594397393 3132665 C1=COC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=CS2 1 2.022 3 3 -9.11149041821349 3132650 COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2 1 2.657 3 3 -7.51364308859784 3132648 CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CO2 1 2.555 3 3 -6.97754732707453 3132645 CCC1(N(N=C(S1)NC(=O)C)C(=O)C)C 1 0.565 3 2 0 -11.1051807325102 3132644 CCOC(=O)CC1(N(N=C(S1)NC(=O)C)C(=O)C)C 1 0.256 3 4 0 -15.0986423658495 3132640 CCCCC1NC(CS1)C(=O)O 1 -1.146 1 2 0 -11.7219892041031 3132633 CC1=CC=CC(=C1)C(=O)NCC(C)NC(=O)C2=CC(=CC=C2)C 1 3.244 2 2 -11.2645253306313 3132625 CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 2.15 1 4 -12.4549504227688 3132622 C1CC(OC1)CNS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.658 2 5 0 -9.62222798753699 3132607 CC1=C(C=C(C=C1)Cl)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C 1 3.236 1 4 -9.37264958306325 3132402 C1COC2=C(O1)C=CC(=C2)OCC(=O)O 1 1.08 0 5 0 -8.93131366004689 3132283 C1=CC(=CC=C1C2=NN=C(O2)SCC(=O)N)[N+](=O)[O-] 1 0.96 4 4 0 -10.8465540397122 3132278 COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C5=C(S4)CCCC5)C#N 1 5.653 5 2 0 -24.51892173775 3132241 COC1=CC(=CC(=C1OC)OC)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC5=C(C=C4)S(=O)(=O)C6=CC=CC=C65 1 6.14 2 5 0 1.06594805261718 3132240 COC1=CC=CC(=C1OC)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC5=C(C=C4)S(=O)(=O)C6=CC=CC=C65 1 6.157 2 4 3.81533359798342 3132237 CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=NC=C2)[N+](=O)[O-] 1 1.442 4 6 0 -2.34034205442952 3132181 CC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NCC=C 1 2.925 2 2 -17.9931325687598 3132186 CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3)C(=O)O)C 1 1.811 2 5 0 -9.86897301813623 3132207 C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4 1 4.942 2 1 0.760862571405114 3132202 CC(=O)NC(C1=CC(=CC=C1)OC)C2=C(C3=C(C=CC=N3)C=C2)O 1 2.497 2 3 -2.71568732446111 3132192 C1=CC=C2C(=C1)N=NN2CCC(=O)OCC(=O)C3=CC=C(C=C3)F 1 3.057 3 3 -17.5898687992108 3132120 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC(=O)OCC(=O)C3=CC=C(C=C3)Br 1 4.254 2 4 -11.6771776382588 3132115 CCC1C(=O)NC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.679 4 5 0 -24.263404341114 3132103 C1=CC=C(C=C1)C2C(=O)NC(=NC2=O)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 2.444 4 5 0 -21.6826536213098 3132099 CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NC=CN3C 1 3.559 3 1 -10.6285716104481 3132098 CC(C(=O)OCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)NC(=O)C4=CC=CC=C4 1 3.936 2 4 -11.091108254183 3132085 C1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC=CO3)Cl 1 3.493 2 3 -7.46638388743944 3132084 C1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC=CS3)Cl 1 4.052 2 2 -9.00018590997133 3132077 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC=C4 1 3.842 1 5 -13.0791540773736 3132071 C1=CC=C(C(=C1)C(=O)NCCCN2C=CN=C2)C(=O)O 1 0.472 3 3 0 -8.07776231114147 3132067 CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NCCO 1 1.885 5 2 0 -0.907325224920163 3132064 CCN1C2C(N(S1(=O)=O)CC)OC3C(O2)OC4C(O3)N(S(=O)(=O)N4CC)CC 1 -0.915 4 8 0 -4.05334045540457 3132054 C1=CC=C(C(=C1)C(=O)NC2=CC=NC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.143 4 4 0 -10.778753679399 3132050 CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CO2 1 2.149 2 3 -12.6864963867415 3132049 CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4)C 1 2.978 2 4 -17.1244634490262 3132047 C1CN(CCN1CC(COC2=CC=CC=C2[N+](=O)[O-])O)CC(COC3=CC=CC=C3[N+](=O)[O-])O 1 2.309 4 8 0 -7.79600439221985 3131952 C1=CC=C(C=C1)CNCC2=NN=NN2C3=CC(=CC=C3)[N+](=O)[O-] 1 1.925 6 2 0 -9.08835394361691 3131951 C1CCCN(CC1)CC2=NN=NN2C3=CC(=CC=C3)[N+](=O)[O-] 1 2.251 6 2 0 -8.87217276479579 3131950 CC1=CC=C(C=C1)N2C(=NN=N2)CN3CCCCC3 1 2.387 5 0 -6.96523756802 3131946 CC1=CC(=C(C=C1)C)NCC(=O)NNC(=S)NC2=CC=CC=C2 1 3.907 4 1 -8.84472978206362 3131916 CC1=C(C=C(C=C1)S(=O)(=O)NN=CC2=CC=CC=C2F)[N+](=O)[O-] 1 2.972 3 4 0 -2.55561715213135 3131886 CC1(CC1(Cl)Cl)C(=O)NN=CC2=CC=CC=C2 1 2.431 2 1 -5.42509205876261 3131884 CC1(CC1(Br)Br)C(=O)NN=CC2=CC=CC=C2 1 2.854 2 1 -5.78301190650769 3131869 C1CC(OC1)CNCC(COC2=CC=C(C=C2)OCC(CNCC3CCCO3)O)O 1 0.698 2 6 0 -5.91182369463444 3131865 CC1=CC=C(C=C1)N2C(=O)C(SC2=O)N(CC(=O)O)C3=CC=C(C=C3)C 1 4.51 2 4 -6.97492297287941 3131862 CC1=CC=C(C=C1)NC(=O)C2=C(NC(=O)NC2C3=CC=CO3)C 1 1.769 3 3 0 -30.0532192206353 3131860 CSC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)CC(=O)NCCCO 1 3.511 2 2 -9.74466677907162 3131857 COC1=NC=NC2=C1OC3=CC=CC=C32 1 2.505 2 2 5.27880219795251 3131853 C1=CC=C(C=C1)CSC2=NC=NC3=C2OC4=CC=CC=C43 1 4.647 2 1 -4.9635859844554e-002 3131849 C1=CC=C(C=C1)COC2=CC=C(C=C2)N(CCC3=CC=NC=C3)N=O 1 3.988 3 2 1.17322619489394 3131846 COC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)C(=O)OC 1 1.757 4 6 0 -6.28171088187824 3131822 CC1=C(C(=NC(=N1)C2=CC=CC=C2)NN=C(C)C3=CC=CC=C3)CC=C 1 4.462 4 0 -1.55838807492784 3131820 CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)N(C)C 1 3.357 2 3 -5.74085730385703 3131814 CC1=NN(C=C1C=NCCOCC2=CC=CC=C2)C 1 2.235 3 1 -1.54610628147392 3131792 CC1=C(C=CC(=C1)Cl)COC(=O)NCCOC2=NC(=NC(=N2)N(C)OC)N(C)C 1 2.992 6 4 0 -5.6059023788482 3131789 CCCOC1=CC=C(C=C1)CC(=O)NN=CC2=CC=C(C=C2)F 1 3.779 2 2 -4.62774129583343 3131757 CC(C)(C)C(=O)NC1=C(C2=C(S1)CCCCC2)C#N 1 4.001 2 1 -24.7730901275279 3131755 CC(=NNC(=O)CC#N)C1COC2=CC=CC=C2O1 1 0.822 3 3 0 -11.2810533685237 3131752 CN(C)C1=CC=C(C=C1)C=NCC2COC3=CC=CC=C3O2 1 3.475 2 2 -3.2948702791925 3131725 CC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)NC3=CC=CC=C3OC 1 2.464 3 3 -33.3039607508847 3131656 CC(C1=CC=CC=C1)NC(=O)COC2=CC=C(C=C2)C=NNC(=O)CO 1 1.351 3 4 0 -12.0047145213716 3131651 C1=CC=C(C=C1)CCNC(=O)CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)N 1 1.15 4 4 0 -14.7100214697022 3131645 C1CCN(CC1)C(=O)C(=O)NN=CC2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3Cl 1 2.78 4 4 0 -14.2837146069182 3131638 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)CC#N 1 0.823 5 4 0 -11.4836491378113 3131628 CC1=CC=C(C=C1)N(CC(=O)NN=CC2=C(N(C(=C2)C)C3=CC=CC=C3C)C)S(=O)(=O)C 1 3.791 4 3 0 -13.6802312584613 3131592 COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CCC(=O)O 1 3.189 2 5 0 -22.3432777898112 3131591 CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CCC(=O)O 1 3.692 2 4 -21.9303115806671 3131556 COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Br)OC 1 3.312 2 5 0 -15.7968138754332 3131532 C1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=S)C(C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4)C5=CC=NC=C5 1 3.499 5 4 0 -3.64659652723186 3131438 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=C(C=C3)OC)OC)C#N 1 2.558 2 3 -27.6097003777077 3131423 CCOC(=O)C(C)OC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)C 1 1.373 2 7 0 -36.9217023762966 3131421 CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2)OC 1 4.154 2 3 -30.5977849096898 3131416 CC1=C(C=C(C=C1)C2CC(=O)NC3=C2C=CC4=CC=CC=C43)[N+](=O)[O-] 1 3.848 2 3 -3.6716427384264 3131377 CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)CC(C3)(C)C 1 4.562 2 4 -28.1897621882708 3131365 CC(C)N1C2=CC=CC=C2N=C1C(C3=CC(=CC=C3)OC)O 1 3.569 2 2 -3.68928664770344 3131363 CCN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)C)O 1 3.694 2 1 -2.64500704979553 3131360 CC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2C)O 1 3.345 2 1 -1.19131607504426 3131359 CN1C2=CC=CC=C2N=C1C(C3=CC(=C(C(=C3)OC)OC)OC)O 1 2.809 2 4 -4.29362361015896 3131357 CCN1C=CN=C1C(C2=CC=CC=C2OC)O 1 1.563 2 2 0 -7.56355595883062 3131356 CCN1C=CN=C1C(C2=CC=CC3=CC=CC=C32)O 1 2.487 2 1 -3.75372689497104 3131353 CC1=NN=C(C2=CC=CC=C12)OCC3=NC4=CC=CC=C4N3C 1 3.423 4 1 1.45734771742103 3131327 CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3OC)C#N)SCC4=NN=C(O4)C5=CC=CC=C5 1 6.65 4 2 -8.9476094975889 3131280 C1CN=C(C2=C(N1)C(=O)N(C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5 1 3.708 4 3 0 -16.7255590176199 3131255 C1COCCN1CCC(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Br 1 2.272 3 3 -19.5478211997606 3131249 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CO2 1 1.954 1 4 0 -10.8712552456061 3131225 C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=O)C2Br 1 3.239 2 1 -7.91906387320478 3131224 CC1C(CCCC1(C)C(=O)O)C(=O)NC2=CC=CC=C2 1 2.93 1 3 -0.819271489892653 3131171 C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=N3 1 2.511 5 5 0 -16.9500996502654 3131129 C1=CC=C(C=C1)C(=O)N(CC2=CC=CO2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.974 2 3 -10.9678066220429 3131073 C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NCC4CCCO4 1 2.022 2 4 -15.0499034466804 3131058 C1=CC=C2C(=C1)C(=CN2)C3=C4C=CC=CC4=NC5=CC=CC=C53 1 5.165 2 0 3.46939071241138 3131057 C=CCN1C(=O)NC2(C1(C3=CC=CC=C3C2=O)O)O 1 0.511 2 4 0 -4.91542641371623 3131047 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N 1 5.78 3 2 -18.5133674168802 3131002 CC(C)C(C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N)NC(=O)OC(C)(C)C 1 2.184 3 6 0 -27.3625002601378 3130975 CN1C(=O)CSC1=NCCC2=CNC3=C2C=C(C=C3)OC 1 2.693 3 2 -7.27437794031013 3130971 CC(C)C1=CC=C(C=C1)C2N(N=C(S2)NC(=O)C)C(=O)C 1 2.79 3 2 -10.9510247859867 3130957 C=CCSC1=NC2=C(CCC2)C(=C1C#N)C3CCC=CC3 1 5.066 2 0 -10.073489501788 3130946 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C(C)C 1 2.789 4 1 -4.66854706705489 3130944 CC1=C2C(C(=C(OC2=NN1)N)C#N)C(C)C3=CC=CC=C3 1 2.698 4 1 -5.38833169487663 3130913 C=CCSC1=C(C(C(C(N1)(C(F)(F)F)O)C(=O)C2=CC=CS2)C3=CC=CC=C3Cl)C#N 1 5.636 2 2 -10.8061836472989 3130893 CCCCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)C5=CC=CC=C54 1 5.375 1 2 -21.6622767978578 3130889 CC1=C(SC(=N1)NN=C(C)C2=CC(=CC=C2)[N+](=O)[O-])C 1 2.111 4 2 -4.79520106520932 3130886 C1=CC=C(C=C1)C(=O)OCCOCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.993 2 5 0 -12.1713112828256 3130882 C1=CC=C(C=C1)S(=O)(=O)NCCCCCCC(=O)O 1 2.16 1 4 -14.4168918355663 3130874 C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=NN=NN4C5=CC=CC=C5 1 4.24 7 2 0 -23.2136804717579 3130863 C1=CC2=C3C(=CC=C4C3=C1C(=O)N(C4=O)CCCCO)C(=O)N(C2=O)CCCCO 1 1.009 2 6 0 -1.04560990464677 3130857 CCCCOC(=O)C1CN(N=C1C(=O)C)C2=CC=CC=C2 1 2.932 2 3 -6.52456022881195 3130840 CN(C)C1N2C(=NN1C(=O)C3=CC=CC=C3)C4=CC=CC=C4S2(=O)=O 1 2.596 4 3 0 -5.54595857840408 3130817 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NNC(=N2)CNC3=CC=CC=C3 1 3.497 5 3 0 -18.7607684709875 3130797 COC1=C(C=CC(=C1)C2C=C(C(=O)N2C3=CC=CC=C3)NC4=CC=CC=C4)O 1 3.966 2 3 -1.56562743909237 3130766 CC1=CC(=C(C=C1)OCC(=O)NNC(=O)C(=O)N2CCCC2)C 1 1.035 3 4 0 -11.3839157947046 3130765 C1=CC(=CC=C1CC(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N)[N+](=O)[O-] 1 2.21 4 6 0 -1.07097752416016 3130748 CC1=CC(=C(C=C1)NC(=O)C2CCCN2C(=O)C3=CC=CS3)C 1 3.402 2 2 -14.789853757887 3130738 CN(CC(=O)NN=CC1=CC(=C(C=C1)OC)OC)C(=O)OCC2=CC=CC=C2 1 2.478 3 5 0 -11.5166364200473 3130723 CC(C)COC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NN=CC3=CC(=C(C(=C3)OC)OCC4=CC=CC=C4)[N+](=O)[O-] 1 5.692 5 7 0 -15.767273714954 3130720 CC(C)COC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NN=CC3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 4.125 5 6 0 -16.6533034493962 3130677 C1=CC=C(C=C1)CNC(=O)CC(=O)NN=CC2=C(C(=CC=C2)Cl)Cl 1 3.32 3 2 -7.24072852927141 3130676 CC1=C(SC=C1)C=NNC(=O)CC(=O)NCC2=CC=CC=C2 1 2.431 3 2 -10.5294720702225 3130671 C1=CC=C(C=C1)CNC(=O)CC(=O)NN=CC2=C(C=CC=C2Cl)Cl 1 3.32 3 2 -11.9945961597741 3130669 C1=CC=C(C=C1)CNC(=O)CC(=O)NN=CC2=C(C=CC=C2Cl)F 1 2.861 3 2 -12.7720946760042 3130668 C1=CC=C(C=C1)CCNC(=O)CC(=O)NN=CC2=C(C=CC=C2Cl)F 1 3.182 3 2 -12.1805411641385 3130667 CC(C)NC(=O)CC(=O)NN=CC1=C(C=CC=C1Cl)F 1 2.004 3 2 -14.6059679513259 3130655 C1=CC=C(C=C1)CCN(CC(=O)NN=CC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.934 3 5 0 -16.2423973028238 3130652 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br 1 4.073 3 5 0 -16.7781682058845 3130568 C1CCC(=O)/C(=C\NC2=CC3=C(C=C2)OCO3)/C1 1 2.335 1 3 -8.14610952476622 3130546 CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O 1 3.39 2 4 -0.45104898004841 3130506 CCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC(=C(C=C4)O)OC 1 3.764 2 4 -28.604784974636 3130478 C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NN4C(=O)C5=CC=CC=C5C4=O 1 1.087 3 6 0 -17.7395556706382 3130477 C1=CC2=C(C=C1OC3=CC4=C(C=C3)C(=O)N(C4=O)CCC(=O)O)C(=O)N(C2=O)CCC(=O)O 1 0.914 2 9 0 -9.14656351540489 3130443 CCOC1=C(C=C(C(=C1)C=NNC(=O)CC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Br)OC 1 4.619 3 5 0 -8.88824468471762 3130432 COC1=C(C(=CC(=C1)C=NNC(=O)CC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Br)OCC=C 1 4.887 3 5 0 -9.35447934981664 3130421 C1C2C=CC1C(C2C(=O)NNC(=O)C3=CC=CC=C3O)C(=O)O 1 0.507 2 5 0 -4.51349986183051 3130420 C1CC(CC=C1)C(=O)NNC(=O)CC2=CC=CC=C2 1 1.923 2 2 0 -7.97633549936335 3130341 CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C=C3)OC)OC)C#N)SCC4=NN=C(O4)C5=CC=CC=C5 1 6.633 4 3 0 -10.3992299621822 3130302 COC1=C(C=C(C=C1)C2(CCCC2)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC 1 3.832 3 7 0 -20.4471891664255 3130297 C1=CC=C(C=C1)CNC(=O)CCC(=O)NCC2=CC=CC=C2 1 1.964 2 2 0 -12.2898161274122 3130295 CC1=CC=C(C=C1)S(=O)(=O)NCC2COC3=CC=CC=C3O2 1 2.69 1 4 -4.64508735371778 3130288 CCNC1=NC(=NC(=N1)SCCOC(=O)NC2=CC=CC=C2)NCC 1 2.832 6 2 0 -9.32299521804393 3130287 CCNC1=NC(=NC(=N1)OCCOC(=O)C2=CC=CC=C2)NC(C)C 1 2.743 5 3 0 -14.5153005997581 3130273 CCNC1=NC(=NC(=N1)N(N2C=NN=C2)S(=O)(=O)C3=CC=C(C=C3)C)NCC 1 1.253 9 2 0 -5.57768560869091 3130270 CC(C)NC1=NC(=NC(=N1)Cl)NNC(=O)C(C)OC2=CC=CC=C2 1 2.395 6 2 0 -10.4539432934284 3130269 CCN(CC)C(=O)CN(C#N)C1=NC(=NC(=N1)Cl)N(C)C 1 0.823 7 1 0 -10.5961817435031 3130268 CCN(CC)C(=O)C(C)N(C#N)C1=NC(=CC(=N1)C)C 1 1.059 5 1 0 -7.41164843847225 3130267 CCN(CC)C(=O)C(C)N(C#N)C1=NC(=NC(=N1)Cl)N(C)C 1 1.307 7 1 0 -7.92738372597898 3130266 CCOC(=O)CN1C(=O)CN(C1=N)C2=NC(=NC(=N2)N(C)C)N(C)C 1 -0.299 8 3 0 -11.8780051484216 3130246 C1C(C(=O)N(C1=O)C2=CC=CC=C2)NNC(=O)C3=CC=CO3 1 0.637 3 4 0 -8.13260176479451 3130183 C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N(C2=O)CC4CS4 1 2.204 3 2 -11.7068762144105 3130233 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)NNC(=O)C3=CC=CO3 1 1.301 3 4 0 -5.95190565254068 3130225 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)NNC(=O)C3=CC=CC=C3Cl 1 2.57 3 3 -8.0374343092608 3130209 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)NNC(=O)CC3=CC=CC=C3 1 2.025 3 3 -8.58195222534659 3130208 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)NNC(=O)C3=CC=CO3 1 1.385 3 4 0 -7.40856539764211 3130166 CN(C)CCCN1C(=O)C2CCC3=C(C2C1=O)C4=CC=CC=C4N3 1 1.85 3 2 0 -3.950468911015 3130165 C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=NC=CS2 1 1.4 4 5 0 -8.57892207748327 3130163 CN1C2=CC=CC=C2N=C1N3C(=O)CC(C3=O)CC4=CC=CC=C4 1 3.204 3 2 -2.2881830844012 3130146 CC(C(=O)NN=CC1=CC=CC=C1C(=O)O)O 1 0.461 2 4 0 -6.78017381558348 3130145 CC(C(=O)NN=CC1=C(C(=CC=C1)Cl)Cl)O 1 2.16 2 2 -1.71916975103126 3130141 COCCCNC(=O)CC(=O)NN=CC1=CC=C(C=C1)SC 1 0.881 3 3 0 -11.7833081670098 3130136 CC(C)NC(=O)CC(=O)NN=CC1=CC=CC=C1C(=O)O 1 0.763 3 4 0 -13.8588653230864 3130134 CC(C)NC(=O)CC(=O)NN=CC1=CC=C(C=C1)SC 1 1.676 3 2 0 -10.6796669055847 3130129 C1CC(OC1)CNC(=O)C(=O)NN=CC2=CC=CC=C2C(=O)O 1 0.361 3 5 0 -15.5286880319058 3130128 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)NN=CC3=CC=CC=C3C(=O)O 1 2.047 3 6 0 -18.2424191879036 3130127 C1=CC=C(C=C1)CN(CC(=O)NN=CC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3 1 2.865 3 5 0 -17.4605212359179 3130124 C1=CC=C(C=C1)CCN(CC(=O)NN=CC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.85 3 5 0 -14.7857375577223 3130118 C1CC(OC1)CNC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.613 2 4 -21.61160771335 3130110 COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NN=CC3=CC=C(C=C3)C(=O)O)OC 1 2.832 3 7 0 -24.0834081120595 3130096 CCCC(=NNC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)CCC 1 3.788 3 3 -19.2424178090374 3130089 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 2.306 4 6 0 -21.2613202783657 3130088 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NN=CC3=CC(=C(C(=C3)OC)OC)OC 1 2.627 4 7 0 -22.9782719459944 3130086 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NN=CC3=CC(=C(C=C3)OC)OC 1 2.644 4 6 0 -23.588142320349 3130085 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NN=CC3=CC(=CC=C3)OC 1 2.66 4 5 0 -19.3496575900005 3130078 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NN=CC2=CC=CS2 1 0.725 4 4 0 -14.5882648912229 3130076 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NN=CC2=CC=C(C=C2)OC 1 0.756 4 5 0 -13.6563413695437 3130072 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.989 3 5 0 -15.321508460783 3130063 C1=CC=NC(=C1)C(=NOC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])N 1 2.223 4 4 0 -2.8983050951622 3130060 CC(=NNC(=S)N)CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F 1 2.678 4 1 -6.18242567136972 3130056 CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)CC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F 1 4.228 3 3 -2.67891875767118 3130052 CC(=NNC(=O)C1=CC(=CC=C1)O)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 3.32 3 3 -6.71431546871188 3130050 CC(=NNC(=O)C1=CC=CC=C1O)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 3.32 3 3 -4.27585313750318 3130047 CC(=NNC(=S)N)CC(=O)NCC1=CC=C(C=C1)F 1 1.284 4 1 0 -9.88374735544358 3130041 CC(=NNC(=O)C(=O)N1CCCCC1)CC(=O)NC2=C(C=C(C=C2)F)F 1 1.179 4 3 0 -11.6923061623102 3130039 CC(=NNC(=O)CC1=CC=C(C=C1)OC)CC(=O)NC2=CC(=CC=C2)F 1 2.179 3 3 -4.26734352258963 3130035 CC(=NNC(=O)CC1=CC=CS1)CC(=O)NC2C3CC4CC(C3)CC2C4 1 2.624 3 2 -8.19440911583242 3130015 CC(=NNC(=O)C1=CC=CC=C1F)CC(=O)NCC2=CC=C(C=C2)Cl 1 2.832 3 2 -12.1106891310353 3130014 CC(C1=CC=CC=C1)NC(=O)CC(=NNC(=S)N)C 1 1.456 4 1 0 -11.1054127008742 3130011 CC(=NNC(=S)N)CC(=O)NCC1=CC=CC=C1 1 1.078 4 1 0 -11.4104392856884 3130004 CC(=NNC(=S)N)CC(=O)NC(C)(C)C 1 0.426 4 1 0 -12.5762732523235 3130003 CC(=NNC(=O)C)CC(=O)NC(C)(C)C 1 -0.355 3 2 0 -12.551572712208 3130002 CC(=NNC(=O)C1=CC=CC=C1N)CC(=O)NC(C)(C)C 1 0.563 4 2 0 -14.2187404585581 3129990 CC(C)NC(=O)CC(=NNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C 1 2.634 3 2 -18.9595058098032 3129985 CCCNC(=O)CC(=NNC(=O)C(=O)NC1=CC=CC=N1)C 1 -9.4e-002 5 3 0 -14.2164798728804 3129983 CC(=NNC(=O)C(=O)NC1CCCCC1)CC(=O)NCCOC 1 -0.205 4 4 0 -18.9556825723141 3129979 CC(=NNC(=O)C(=O)N1CCCC1)CC(=O)NC2=CC=C(C=C2)NC(=O)C 1 -0.568 5 4 0 -14.467893740395 3129978 CC(=NNC(=O)C1=CC=CC2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)NC(=O)C 1 1.984 4 3 0 -8.58683709819906 3129975 CC(=NNC(=O)C(=O)N1CCCCC1)CC(=O)NC2=CC=CC=C2NC(=O)C 1 -0.112 5 4 0 -16.1513308748495 3129969 CC(=NNC(=O)CC1=CC=C(C=C1)Cl)CC(=O)NC2=CC=CC=C2C(=O)OC 1 2.509 3 4 0 -10.9307425020288 3129968 CC(=NNC(=O)CC#N)CC(=O)NC1=CC=CC=C1C(=O)OC 1 0.206 4 4 0 -18.9655729245885 3129954 CC(=NNC(=O)C(=O)N1CCCC1)CC(=O)NC2=CC=CC=C2Br 1 1.06 4 3 0 -13.1281463192065 3129949 CC(=NNC(=S)N)CC(=O)NC1=CC(=C(C=C1)Cl)Cl 1 2.4 4 1 -4.4449117245423 3129948 CC(=NNC(=O)C(=O)N1CCCCC1)CC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.097 4 3 0 -10.3822851072546 3129945 CC(=NNC(=S)N)CC(=O)NC1=C(C=CC(=C1)Cl)Cl 1 2.4 4 1 -4.16031989321493 3129940 CC(=NNC(=O)C1=CC=CC=C1Br)CC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 4.032 3 2 -5.38632622173777 3129938 CC(=NNC(=O)C(=O)N1CCCC1)CC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 1.64 4 3 0 -9.81538572585678 3129935 CC(=NNC(=O)C(=O)N1CCCC1)CC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 1.64 4 3 0 -11.7349402645543 3129933 CC(=NNC(=O)C(=O)NC1CCCCC1)CC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 2.832 4 3 0 -11.2205481781997 3129932 CC(=NNC(=O)C1=CC=CC=C1N)CC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 2.537 4 2 -7.96733074578758 3129928 CC(=NNC(=O)C1=CC=CC=C1Br)CC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 4.032 3 2 -7.4754359510577 3129927 CC1=CC=CC=C1C(=O)NN=C(C)CC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 3.77 3 2 -10.783645152889 3129926 CC(=NNC(=O)C(=O)N1CCCCC1)CC(=O)NC2=CC=C(C=C2)Cl 1 1.432 4 3 0 -10.1803751098811 3129923 CC(=NNC(=O)CC1=CC=C(C=C1)Cl)CC(=O)NC2=CC(=CC=C2)Cl 1 3.319 3 2 -2.47858835572525 3129912 CC(=NNC(=O)CC1=CC=C(C=C1)Cl)CC(=O)NC2=CC=CC=C2F 1 2.86 3 2 -5.07823543550279 3129910 CCOC1=CC=C(C=C1)NC(=O)CC(=NNC(=O)CC2=CC=CS2)C 1 2.276 3 3 -9.61301660195376 3129909 CCOC1=CC=C(C=C1)NC(=O)CC(=NNC(=O)CC2=CC=C(C=C2)Cl)C 1 2.987 3 3 -5.00257364934128 3129904 C1=CC(=C(C=C1C2=CC=C(O2)C=C3C(=O)N4C5=C(C=CC(=C5)Br)N=C4S3)C(=O)O)Cl 1 6.249 2 4 -5.17090035483445 3129893 CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC(=CC(=N2)C)C 1 1.546 4 4 0 -22.9380896018794 3129879 C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCN4CCCCC4 1 4.646 5 0 -9.68167244699584 3129877 C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)O 1 3.071 4 2 -15.9521259345716 3129813 CC1=CC=C(C=C1)C(CC(=O)O)C2CCOC(C2)(C)C 1 3.206 0 3 -8.23440551347855 3129867 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCC 1 3.378 4 2 -13.6083492558644 3129852 CC1=C2CC(OC2=NC(=N1)SC)CN3C(=O)C4=CC=CC=C4C3=O 1 2.703 3 3 -4.9778272812701 3129848 CC(=O)NC1=NC2=C(S1)C(=O)CC(C2)C3=CC=C(C=C3)OC 1 2.035 2 3 -10.1380271551083 3129847 CC1=NC(=NC(=N1)NN=CC2=CC=CC=C2)NC 1 1.261 6 0 0 -6.3347730314321 3129782 CC(C)COC1=C(C=CC(=C1)NC(=O)C2CCCCN2NCC3=CC(=C(C=C3)OC)OC)OC 1 3.825 3 5 0 -17.0520529757607 3129772 COC1=CC(=C(C=C1)NC2=NC(=NC(=N2)Cl)NCC=C)OC 1 2.676 5 2 0 -8.6200799035888 3129764 C=CCOC1=CC=C(C=C1)C=NNC(=S)N 1 2.4 3 1 -9.45983168700319 3129759 CC(C)C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NCCO 1 2.747 5 1 0.555323832583634 3129754 C1=CC=C2C(=C1)C3=C(C2=O)C(SC4=CC=CC=C4N3)C5=CC=CO5 1 4.117 1 2 -11.036256551621 3129744 CC1=CC2=C(C=C1)OC(=N2)N=C(N)NC(=O)C3CC3 1 1.45 4 2 0 -0.225681282759589 3129743 C1=CC2=C(C=C1[N+](=O)[O-])N=C(O2)N=C(N)N 1 0.11 5 3 0 1.77887281839557 3129741 CC1=CC(=NC(=N1)N=C(N)NC2=CC=C(C=C2)C3=CC=CC=C3)C 1 2.757 5 0 0.61690927122054 3129740 CC1=CC(=NC(=N1)N=C(N)N2CCCCCC2)C 1 1.241 5 0 0 -3.67357049419433 3129728 C1=CC=C(C(=C1)C(=O)NCCNC(=O)C2=CC=CC=C2Br)Br 1 3.391 2 2 -6.81007641846023 3129727 C1=CC=C(C(=C1)C(=O)NCCCCNC(=O)C2=CC=CC=C2Cl)Cl 1 3.865 2 2 -9.57560282989427 3129707 CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC=CC=C2 1 2.531 0 6 -12.3149531401038 3129671 C1COC2=C(O1)C=CC(=C2)C(=O)CCCC3=CC=CC=C3 1 3.967 0 3 -5.65606683205558 3129670 CCCC=NNC1=NC2=CC=CC=C2S1 1 2.788 3 0 2.06210707352436 3129659 CCCC(C1C(=O)CC(CC1=O)(C)C)C2=C(CC(CC2=O)(C)C)O 1 3.092 0 4 -5.78328647414702 3129657 CCC1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])C 1 4.266 3 2 -3.00562386881389 3129653 CC(C)(C)C(=O)NC1=C(C2=C(S1)CCC2C(=O)OC)C(=O)OC 1 2.475 1 5 -20.5086358156883 3129644 CCCC(=O)NC1=C(C2=C(S1)CCC2C(=O)OC)C(=O)OC 1 2.052 1 5 -19.6840359307922 3129573 C1=CC(=CN=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br 1 2.706 6 3 0 -10.4829397751141 3129571 CC1=CC(=CC(=C1)NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3)C 1 3.036 5 1 -7.78883243719077 3129564 CCN1C(=NNC1=S)CCN2C3=CC=CC=C3C4=CC=CC=C42 1 4.249 4 0 -4.60362324473702 3129563 C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(COCC(C(C(C(F)F)(F)F)(F)F)(F)F)O 1 4.875 1 2 1.15678064603623 3129560 CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N2CCCCC2 1 2.185 2 3 -13.425323707282 3129525 C1=CC=C(C(=C1)NC2=NN=C(S2)C3=CC4=CC(=CC(=C4OC3=O)Cl)Cl)F 1 4.706 3 2 0.332009715149426 3129488 CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Cl 1 3.31 3 3 -8.69962096795202 3129481 CCN(CC)C(=O)C(=O)NN=CC1=CC=C(C=C1)C(=O)OC 1 1.132 3 4 0 -11.6799197029466 3129463 CC(=O)N1C(OC(=N1)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.481 3 4 0 -5.11369417522877 3129462 CC(=O)N1C(OC(=N1)C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.481 3 4 0 -4.83575835257117 3129461 CC(=O)N1C(OC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3OC 1 2.8 3 5 0 -8.78263153530109 3129460 CC(=O)N1C(OC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)Br 1 3.565 3 4 0 -6.89356569344245 3129459 CC(=O)N1C(OC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3Cl 1 3.481 3 4 0 -8.00704304602373 3129452 C1C(N(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])C#N 1 3.224 5 4 0 -6.47078631494896 3129451 C1C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-])C#N 1 3.329 4 2 -5.35121223866377 3129448 COC1=CC(=C(C=C1C2=NC3=C(C=C(C=C3)Br)C(N2CC(=O)NN)C4=CC=CC=C4)OC)OC 1 3.508 4 4 0 -9.00767069137224 3129415 CCOC(=O)C1=C(OC(=C(C1C2=CC=C(O2)C)C#N)N)C 1 1.293 2 4 0 -15.8695207063339 3129408 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)C1)C 1 1.973 3 6 0 -20.0487703813986 3129339 COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC4=NN=C(O4)C5=CC=CC=C5 1 6.164 4 2 -8.69618844002832 3129288 CCCOC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CO2)C#N 1 2.803 4 3 0 -12.3174041384895 3129271 CC(C)C(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(C=CC3=CC=CC=C32)OC(=O)C 1 4.269 2 5 0 -12.4966460598342 3129270 CC(=O)OC1=C(C2=CC=CC=C2C=C1)C(C3=CC=CC=C3Cl)NC(=O)CC4=CC=CC=C4 1 5.609 1 3 -8.7522253641693 3129267 CCCCC(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(C=CC3=CC=CC=C32)OC(=O)C 1 4.719 2 5 0 -15.7222608430274 3129261 CCC(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(C=CC3=CC=CC=C32)OC(=O)C 1 3.806 2 5 0 -9.58749148625552 3129260 CC(C)C(=O)NC(C1=CC(=C(C=C1)OC)OC)C2=C(C=CC3=CC=CC=C32)O 1 4.332 1 4 -9.75825368491893 3129259 CC(C)C(=O)NC(C1=CC=C(C=C1)N(C)C)C2=C(C=CC3=CC=CC=C32)O 1 4.527 2 2 -8.75876247764553 3129258 CCCCC(=O)NC(C1=CC=CC=C1Cl)C2=C(C=CC3=CC=CC=C32)O 1 5.479 1 2 -10.1982360655146 3129255 CCCCC(=O)NC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C=CC3=CC=CC=C32)O 1 4.709 2 4 -11.4174886695833 3129253 CC(C)C(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(C3=C(C=CC=N3)C=C2)O 1 3.537 3 4 0 -8.41092028634991 3129252 CCCCC(=O)NC(C1=C(C2=C(C=CC=N2)C=C1)O)C3=CC=CC=C3Cl 1 4.757 2 2 -9.8918350440473 3129251 CCCCC(=O)NC(C1=CC=C(C=C1)Cl)C2=C(C3=C(C=CC=N3)C=C2)O 1 4.757 2 2 -6.36865276203324 3129250 CCCCC(=O)NC(C1=CC(=C(C=C1)OC)OC)C2=C(C3=C(C=CC=N3)C=C2)O 1 4.06 2 4 -11.8514290385061 3129248 CCCCC(=O)NC(C1=C(C2=C(C=CC=N2)C=C1)O)C3=CC=CC=C3OC 1 4.076 2 3 -11.8470663969083 3129247 CCCCC(=O)NC(C1=CC=C(C=C1)N(C)C)C2=C(C3=C(C=CC=N3)C=C2)O 1 4.255 3 2 -10.8519378312327 3129245 CCCCC(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(C3=C(C=CC=N3)C=C2)O 1 3.987 3 4 0 -11.6365350695431 3129244 CCCCC(=O)NC(C1=CC=CC=C1)C2=C(C3=C(C=CC=N3)C=C2)O 1 4.093 2 2 -10.1037515846 3129243 CCCC(=O)NC(C1=CC=C(C=C1)C)C2=C(C3=C(C=CC=N3)C=C2)O 1 4.123 2 2 -9.6122380071054 3129239 C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-] 1 2.328 3 6 0 -4.79954292610867 3129237 CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)C#N 1 4.729 2 1 -3.56728101468979 3129219 CCC1C(=O)NC(=NC1=O)SCC(=O)NC2=NC=C(C=C2)Br 1 2.11 4 3 0 -21.1058232808138 3129216 CC1=NNC(=NC1=O)SCC(=O)NC(C)C2=CC=CC=C2 1 1.572 4 2 0 -20.4768303240801 3129184 COC1=C(C=CC(=C1)C=NNC2=NC=C(C=C2)[N+](=O)[O-])OCC(=O)O 1 1.543 4 6 0 -11.5575941331556 3129182 C1=CC(=CN=C1)C=NNC2=NC=C(C=C2)[N+](=O)[O-] 1 0.943 5 2 0 -1.32496030709134 3129133 CC1=C(C=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)O)C)C 1 2.925 2 3 -3.79181357622539 3129074 CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)C(=O)CCl 1 3.7 2 1 5.97911948482317 3129057 CC1=CC=C(C=C1)OC2=CC=C(C=C2)OCC(=O)NC3CCS(=O)(=O)C3 1 2.427 1 5 -11.5158446536115 3129056 CC1=CC=C(C=C1)OC2=CC=C(C=C2)OCC(=O)OC3CCS(=O)(=O)C3 1 3.074 0 6 -10.8878931243017 3129054 CC1=CC=C(C=C1)OCC(=O)NC2CCS(=O)(=O)C2 1 0.867 1 4 0 -13.4713808304801 3129049 C1CCN(CC1)C2=NC=NC3=C2NC=N3 1 0.76 5 0 0 0.611926966975217 3129040 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=S)NC5=CC=CC=C5 1 4.594 4 2 -11.4536860671512 3129039 CC1(CC(=O)C(C(=O)C1)C(C2=CC=CO2)C3=C(CC(CC3=O)(C)C)O)C 1 2.397 0 5 -3.14552436618156 3129026 CC1C(NC(C(C1=O)C)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-] 1 3.486 3 5 0 -3.03285894614069 3129015 CC1=CC=C(C=C1)S(=O)(=O)N(C2=NC(=NC(=N2)NC(C)C)NC(C)C)N3C=NN=C3 1 2.008 9 2 0 -8.5912261016515 3128977 C1=CC=C(C=C1)C2=CC(=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C=NNC(=O)CC#N 1 6.238 4 1 -4.5408145550624 3128975 CCN1CCCC1CNC(=O)C2=CC=CC=C2Cl 1 2.679 2 1 -12.9507400913145 3128968 C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N 1 0.716 2 4 0 -6.29143247975851 3128957 CCCCCCNC1=NC(=NC(=N1)NCC2=CC=CO2)OCC 1 3.52 5 2 0 -3.87290464334419 3128936 CC1=CC=C(C=C1)NC2=C(C(=O)N(C3=CC=CC=C32)C)[N+](=O)[O-] 1 2.776 3 3 -3.71999878114511 3128935 C1CC(OC1)C2CC(=O)N(C2=O)CC3=CC=CC=C3 1 1.267 1 3 0 -7.26538063043268 3128902 CC1C2=CC(=C(C=C2CCN1C(=O)C)OC)OC 1 1.582 1 3 0 -14.7366570079487 3128900 CC(C)(C)NC1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-] 1 2.366 2 3 -10.6375437125786 3128877 CC(C(=O)NN=C(C)C1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC=C2 1 3.435 3 3 -9.66509107236053 3128832 CCCOC(=O)C1=C(NC2=C(C1C3=CN=CC=C3)C(=O)CC(C2)(C)C)C 1 2.289 2 3 -34.8780528303238 3128797 CCCCCCN1C(=O)C(C(=N1)C)C(=O)C2=CC=C(C=C2)Cl 1 3.832 2 2 1.14259609750634 3128792 CCCCCN1C(=O)CC(=N1)C 1 1.331 2 1 0 -6.25281008091002 3128780 CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)Cl)C=CC(=C2)O)N 1 3.609 1 4 -4.67345657302736 3128750 CC1CCCN(C1)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 2.07 3 4 0 -7.05552601120729 3128746 CC1CCCN(C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.087 3 3 -6.57818574547151 3128687 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)C 1 3.843 3 5 0 -20.730246098779 3128685 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3 1 2.444 6 3 0 -11.1202116453891 3128683 C1=CC(=CN=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 1.958 6 3 0 -9.49446622571793 3128602 C1CCC(CC1)N(CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.191 4 6 0 -13.074039299315 3128601 CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CO3)C 1 4.666 2 4 -6.23076590432623 3128535 CCCC(=O)NC1=NC(=NS1)SCCC 1 2.878 3 1 -12.4287912073859 3128534 CCCSC1=NSC(=N1)NC(=O)CC 1 2.422 3 1 -7.2205442625891 3128470 CC(=O)NC(CCSC)C(=O)NCC(=O)OC 1 -1.048 2 4 0 -24.2788785520952 3128469 CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N 1 -0.673 3 3 0 -12.3006002232788 3128460 CN1C2=C(N=C1NN=CC3=CC=CO3)N(C(=O)N(C2=O)C)C 1 0.818 6 3 0 -10.9931909973763 3128453 CC1=CC(=C(C=C1)C)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 4.259 2 2 -8.51111766945431 3128452 CC1=CC(=C(C=C1)C)C(=O)CSC2=NC(=O)C=C(N2)N 1 2.463 3 2 -9.84667543688684 3128451 CC1=C(C=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)N)C 1 2.463 3 2 -9.64864922055639 3128450 CC1=CC(=C(C=C1)C)C(=O)CSC2=NC(=O)C=C(N2)C 1 3.196 2 2 -13.6004902164134 3128426 CC1=C(N2C=CC=CC2=N1)C3=CSC(=N3)NC4=CC(=CC=C4)O 1 2.896 4 1 9.47534647534412 3128422 CC1=CC=CC(=C1)C(=O)NNC(=O)C2CCCO2 1 1.026 2 3 0 -14.5182609673093 3128417 CC1=CC(=C(C=C1)NC(=O)CC(=NNC(=O)C(C)C)C)C 1 2.392 3 2 -13.0435101148025 3128415 COC1=CC(=CC=C1)OCC(=O)NNC(=O)CCC2=CC=CC=C2 1 2.181 2 4 -11.3150349365367 3128414 C1=CC=C(C=C1)CCC(=O)NNC(=O)C2=CC(=CC=C2)F 1 2.568 2 2 -10.1820941767922 3128410 CC(=NNC(=O)C1=CC(=CC(=C1)OC)OC)CC(=O)NC2=CC=CC=N2 1 1.311 4 4 0 -10.5879040106503 3128396 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NNC(=S)N 1 3.421 3 3 -10.0068723149782 3128385 CN(C)N=CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2 1 2.698 2 3 -9.09050576583302 3128345 CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2CC2)C3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-] 1 3.101 3 6 0 -19.7292583677816 3128337 CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=C(C=C2)OC(C)C)C3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-] 1 4.967 4 7 0 -18.2809192941051 3128335 CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=C(C=C2)OCC=C)C3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-] 1 4.857 4 7 0 -22.7083944658049 3128334 CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC(=CC=C2)OCC=C)C3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-] 1 4.857 4 7 0 -22.7244164806968 3128300 CCOC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC(=C(O2)C)Br)S(=O)(=O)C 1 2.273 3 5 0 -11.4733846641856 3128299 CC1=C(C(=CC=C1)C)N(CC(=O)NN=CC2=CC(=C(O2)C)Br)S(=O)(=O)C 1 2.913 3 4 0 -9.91393522096355 3128298 CC1=CC=CC=C1N(CC(=O)NN=CC2=CC(=C(O2)C)Br)S(=O)(=O)C 1 2.427 3 4 0 -13.7369686606608 3128294 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NN=CC3=CC4=CC=CC=C4N=C3Cl 1 5.108 4 3 0 -6.06040139750771 3128293 COC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)C3=CC=C(C=C3)CN(C4=C(C(=CC=C4)Cl)Cl)S(=O)(=O)C)Cl 1 5.756 4 4 0 -9.43229623918808 3128282 COC1=CC=C(C=C1)N(CC(=O)NN=CC2=C(N=C3C=C(C=CC3=C2)OC)Cl)S(=O)(=O)C4=CC=CC=C4 1 4.255 4 5 0 -10.2984547170388 3128280 COC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)CN(C3=CC=CC=C3OC)S(=O)(=O)C4=CC=CC=C4)Cl 1 4.255 4 5 0 -12.8544380875802 3128278 CC1=CC=CC=C1N(CC(=O)NN=CC2=C(N=C3C=C(C=CC3=C2)OC)Cl)S(=O)(=O)C4=CC=CC=C4 1 4.758 4 4 0 -12.7378447057339 3128276 COC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)Cl 1 4.272 4 4 0 -10.4650594481126 3128275 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=CO2)C3=CC(=CC(=C3)Cl)Cl 1 4.438 3 4 0 -11.062492655663 3128274 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=CC=C2C(=O)O)C3=CC(=CC(=C3)Cl)Cl 1 4.673 3 5 0 -11.6917394573284 3128270 C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=CC=C2C(=O)O)C3=CC=CC=C3Cl 1 3.522 3 5 0 -16.6013345793255 3128252 CC1=C(C=C(C=C1)NC2=CC(=NC3=CC=CC=C32)C)C 1 4.821 2 0 4.94989745622584 3128238 COC(=O)C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.108 3 6 0 -2.51314020087329 3128229 C1COCCN1CCCNC(=O)C(=O)NN=CC2=C(C=CC=C2Cl)Cl 1 1.59 4 3 0 -13.4983069282392 3128227 C1COCCN1CCCNC(=O)C(=O)NN=CC2=CC=C(C=C2)F 1 0.467 4 3 0 -11.8427443137328 3128226 CNC(=O)C(=O)NN=CC1=CC=CC=N1 1 -0.35 4 2 0 -6.42160767851211 3128224 C1COCCN1CCCNC(=O)C(=O)N 1 -1.59 3 3 0 -10.1642384358427 3128213 C1=CC(=CC(=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-])C(=O)O 1 2.474 4 5 0 -1.61109429711517 3128211 C1=CC=C(C(=C1)C(=O)O)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-] 1 2.474 4 5 0 0.481508965179153 3128209 C1=CC(=CC=C1NC2=CC=C(C3=NON=C23)[N+](=O)[O-])S(=O)(=O)N 1 1.549 5 5 0 -4.86128291947991 3128208 C1=CC(=CC(=C1)O)NC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-] 1 3.266 4 4 0 13.6800817255482 3128206 COC1=CC=CC(=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-] 1 2.827 4 4 0 1.14559355143612 3128201 CCN(CC)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCO 1 1.423 5 4 0 9.38137623806506e-002 3128197 CNC1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-] 1 1.767 4 3 0 4.87779900324531 3128192 C1=CC(=CC(=C1)NC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-])C(=O)O 1 3.138 4 5 0 8.33537022805881 3128187 CC(=O)C1=CC=C(C=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-] 1 2.584 4 4 0 -3.81279565804294 3128186 C1COCCN1C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NCC3=CC=CC=C3 1 2.86 4 5 0 -3.15029161029425 3128180 COC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)OC 1 1.763 3 8 0 -17.8699656145852 3128179 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.859 4 4 0 -14.2485713931426 3128176 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)C5=CC=CC=C5C4 1 3.073 3 3 -11.0148305847938 3128167 CCSC1=C(C(C(C(N1)(C(F)(F)F)O)C(=O)C2=CC=CS2)C3=CC=CC=C3Cl)C#N 1 5.368 2 2 -8.90072682982325 3128166 CCC(C)C1C(=C(OC2=NNC(=C12)C)N)C#N 1 2.122 4 1 -7.06268555412012 3128148 CCC(CC)C1C(=C(OC2=C1C(=O)OC3=CC=CC=C32)N)C#N 1 3.184 2 3 -9.08332154127026 3128145 CC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3 1 4.115 2 1 -15.0740509053355 3128137 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CO3 1 1.175 4 2 0 -8.60665965170565 3128135 COC1=CC(=C(C=C1CN2CCN(CC2)CC3=CC=C(C=C3)C(F)(F)F)OC)OC 1 4.337 2 3 4.51468263221955 3128121 CC(C)CC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)OC)Br 1 3.227 2 2 -5.83696022521216 3128119 CC1=C(C(=NC(=N1)N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2)OC)Br 1 2.526 3 5 0 -11.2205321835129 3128117 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C#N)C2=NC(=NC(=N2)N(C)C)N(C)C 1 0.339 8 3 0 -10.7805851319064 3128115 CCN(C#N)C1=NC(=NC(=N1)NC(C)(C)C)NC(C)C 1 1.662 7 0 0 -12.4095815486545 3128113 CCOC(=O)/C(=C/1\CC2CCC1(C2(C)C)C)/C#N 1 3.092 1 2 -3.25298987444505 3128075 CC(=NNC(=O)CNC1=CC=CC=C1OC)C2=CC=C(S2)Br 1 2.829 3 2 -10.3559201560819 3128038 C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)N)Cl 1 4.033 3 3 -7.46321501696374 3128032 C1=CSC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)Cl 1 4.733 2 3 -9.3573198124781 3128029 C1=COC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)Cl 1 4.174 2 4 -6.74868470478696 3128019 C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=NNC3=NNN=N3 1 2.016 6 3 0 -2.29395044037011 3127960 CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)OCC 1 3.162 3 6 0 -15.265596531787 3127949 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NS(=O)(=O)C 1 2.366 1 4 -16.5027107251312 3127943 CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4C5C=CC(C4C3=O)O5 1 2.217 1 5 -1.90072030553389 3127917 C1CC2C(=O)NC3=CC=CC=C3N2C1 1 1.395 2 1 0 -5.25528370173847 3127913 CC1=CC(=C(C(=C1)C)NC(=O)C2CCCN2C)C 1 3.011 2 1 -4.39246871639877 3127906 CCOC(=O)C(=CC1=CNC2=C1C=C(C=C2)S(=O)(=O)N(C)C)C(=O)OCC 1 2.076 2 6 0 -5.69706030463496 3127904 CCCCNC(=O)CCCCCCCCC#C 1 5.203 1 1 -17.4638984121095 3127902 C=CCN1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)CC=C 1 7.4e-002 2 4 0 -8.74433090317433 3127896 C1=CC2C3C(C1C4C2C(=O)N(C4=O)C5=CC=C(C=C5)O)C6C3C(=O)N(C6=O)C7=CC=C(C=C7)O 1 1.51 2 6 0 0.443513555437341 3127894 C1=CC(=CC(=C1)O)N2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)C7=CC(=CC=C7)O 1 1.51 2 6 0 1.40353158942674 3127893 CC1=C2C=CC=C(C2=NC=C1)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57 1 4.472 2 2 -3.43425605928742 3127889 C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=CC7=C6N=CC=C7 1 3.986 2 2 -3.35002257741189 3127886 C1C2C=CC1C3C2C(=O)N(C3=O)CNC4=CC=CC=N4 1 0.938 3 2 0 -1.56075110639553 3127885 C1=CC=C(C(=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)C7=CC=CC=C7O)O 1 1.51 2 6 0 1.63814950283962 3127882 COC1=CC=C(C=C1)NC(=O)CC(C(=O)OC)(C(F)(F)F)O 1 1.322 1 5 0 -7.48884574419596 3127881 COC1=CC(=CC(=C1OC)OC)NC(=O)CC(C(=O)OC)(C(F)(F)F)O 1 1.29 1 7 0 -12.1723396523254 3127873 COC(=O)C(CC(=O)NC1=C(C=C(C=C1)Cl)Cl)(C(F)(F)F)O 1 2.668 1 4 -5.41213282351815 3127872 COC(=O)C(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)(C(F)(F)F)O 1 2.668 1 4 -5.33997185942047 3127843 CC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)C)C2=CC=CC=C2 1 3.284 0 3 -7.00130575484509 3127833 CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)CCl)C 1 2.48 3 3 -18.1919303500962 3127824 CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.521 3 4 0 -16.8065051937923 3127816 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CCC3=NN=C(S3)NC(=O)C4=CC=CS4 1 3.501 3 3 -17.6933858745914 3127811 CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3=CC=CS3 1 3.079 3 3 -18.3403072163242 3127810 C1CC(=O)NC1C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 1.343 2 2 0 -5.38392603243118 3127806 CC1=CC(=NN1CC(COC2=CC=CC=C2)O)C 1 2.029 2 2 -5.69799912589384 3127752 C1CCCN(CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.888 3 3 -5.50191178722026 3127744 C1=CC=C(C=C1)CN(CC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 5.351 3 4 0 -11.2009749213477 3127707 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)NC2CCCCC2 1 3.143 3 3 -10.1534865780998 3127703 C1=CC=C(C(=C1)C2=NN=C(O2)SCC(=O)OC3=CC=C(C=C3)Br)Cl 1 4.909 2 3 -10.0360941153448 3127686 COC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.837 4 4 0 -18.3502228378314 3127685 COC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)C3=CC=CO3 1 0.703 4 5 0 -12.95779326907 3127683 CC(C)CNC(=O)C(=O)NCCCN1CCOCC1 1 -0.192 3 3 0 -13.3314180092781 3127670 CC1=C(C=CC=C1Cl)N2CC(CC2=O)C(=O)NC3=NC=CS3 1 2.034 3 2 -4.2948816534557 3127662 CCOC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C(=O)CN(C3=CC=C(C=C3)OCC)S(=O)(=O)C)S(=O)(=O)C 1 0.727 4 8 0 -13.2457962646832 3127661 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C 1 3.298 2 4 -12.9949924632351 3127650 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NNC(=O)CCC2=CC=CC=C2 1 3.598 2 3 -7.63693462458034 3127646 C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=NC=CN=C4 1 0.89 4 2 0 -8.12658597487479 3127626 CC1=C(C=C(C=C1)N2C(=O)C3C(N4CCCN4C3C2=O)C5=CC=CC=C5)C 1 2.523 3 2 2.9988410461359 3127623 C1=CC2C3C(C1C4C2C(=O)N(C4=O)CCO)C(=O)N(C3=O)CCO 1 -2.37 2 6 0 -4.93009334990312 3127620 C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)NNC(=O)C2=CC=NC=C2 1 1.279 4 4 0 -5.48488176025536 3127619 CC1=C(C=C(C=C1)NC(=O)C(=O)NNC(=O)C2=CC=CC=C2C)Cl 1 2.774 3 3 -11.970638684894 3127531 C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5 1 1.551 3 2 0 2.32972693321485 3127529 CC1=CC=C(C=C1)C23C(C(=NN2)C(=O)OC)C(=O)N(C3=O)C4=CC=C(C=C4)C 1 2.691 3 4 0 -5.27574487466405 3127518 CCOC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)OC3=CC=CC=C3 1 3.364 2 4 -8.44176148814903 3127517 CCOC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3 1 3.371 2 4 -10.0353888117918 3127516 C1CCC(C1)NC(=O)C2CCCN2C(=O)OC3=CC=CC=C3 1 2.857 2 3 -9.37180271839937 3127493 CC(C)COC(=O)N1CCCC1C(=O)O 1 1.492 1 4 0 -8.59202330913827 3127481 CC1(NC(=O)CS1)C2=CC=C(C=C2)Cl 1 2.06 1 1 -1.73588690211998 3127478 C1COCCN1CCCNC(=O)C(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.9e-002 4 5 0 -14.2328867163029 3127476 C1COCCN1CCCNC(=O)C(=O)NN 1 -2.082 4 3 0 -11.3432543409727 3127473 C1CN(CCN1CCNC(=O)C(=O)NCC2=CC=CO2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 0.407 5 6 0 -17.5933457713343 3127471 CCC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)C 1 0.393 4 4 0 -22.6407099174669 3127435 CCCC1=C(N=C(S1)NN=CC2=CC=CC=N2)C3=CC=C(C=C3)Br 1 5.05 4 0 6.17131889296226 3127425 CCCC1=C(N=C(S1)NN=CC2=CC=CC=N2)C3=CC=C(C=C3)F 1 4.507 4 0 6.51785697294214 3127421 CN=C1N(C(=O)C(S1)CC(=O)NC2=CC=C(C=C2)C(=O)O)C 1 1.161 3 4 0 -11.2490905555787 3127420 CC1=C(C=C(C=C1)NC(=O)CC2C(=O)N(C(=NC3=NC=CS3)S2)C)C 1 3.077 4 2 -8.58304040691205 3127419 CC1=CC(=C(C=C1)NC(=O)CC2C(=O)N(C(=NC3=NC=CS3)S2)C)C 1 3.077 4 2 -11.097466689251 3127418 CC1=CC=CC=C1NC(=O)CC2C(=O)N(C(=NC3=NC=CS3)S2)C 1 2.591 4 2 -10.8998183682642 3127417 CC1=CC(=CC=C1)NC(=O)CC2C(=O)N(C(=NC3=NC=CS3)S2)C 1 2.591 4 2 -6.4474800389428 3127416 CN1C(=O)C(SC1=NC2=NC=CS2)CC(=O)NC3=CC=CC=C3 1 2.105 4 2 -8.49177973064528 3127400 CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Br)OS(=O)(=O)C3=CC=CC=C3 1 4.571 1 5 -15.0254397989489 3127399 COC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Br)OS(=O)(=O)C3=CC=CC=C3 1 4.222 1 5 -13.3059867988465 3127392 COC1=CC=C(C=C1)OCC(=O)NNC(=O)C2CCCO2 1 0.359 2 5 0 -17.31142451243 3127391 C1CC(OC1)C(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.434 3 5 0 -16.7905096289245 3127390 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=N2)[N+](=O)[O-] 1 1.043 4 4 0 -11.1832724972914 3127370 C=CCOC1=CC=CC=C1C=NNC(=O)CC2=CC=CC=C2 1 3.318 2 2 -9.45896002724168 3127359 CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 4.53 3 5 0 -12.5036870317336 3127358 COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 4.028 3 6 0 -12.4511558159866 3127356 CC1=CC(=C(C=C1)OC)NC(=O)C(=O)NNC(=O)C2=CC=CO2 1 1.002 3 5 0 -10.5772171370656 3127351 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC4=CC=CC=C43 1 4.298 2 2 -0.840171578023274 3127348 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=O)C2=NC=CN=C2 1 -0.107 5 4 0 -10.6935291414941 3127347 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=NC=CN=C2)[N+](=O)[O-] 1 -0.107 5 4 0 -12.2561334770047 3127346 C1=COC(=C1)C(=O)ON=C(CC2=CC=C(C=C2)[N+](=O)[O-])N 1 1.711 3 5 0 1.48776828857359 3127343 CC(C)CNC(=O)C(=O)NNC(=O)C1=CC=CO1 1 0.148 3 4 0 -11.5850614920195 3127341 COC1=CC=CC=C1NC(=O)C(=O)NNC(=O)C2=CC=CO2 1 0.516 3 5 0 -11.8100894309586 3127339 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=O)C2=CC=CO2 1 1.161 3 5 0 -8.53535864280601 3127338 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CO2)[N+](=O)[O-] 1 1.161 3 5 0 -10.0979629783166 3127332 COC1=CC=C(C=C1)OCC(=O)NNC(=O)CCC2=CC=CC=C2 1 2.181 2 4 -10.7733115540353 3127331 COCC(=O)NNC(=O)C1=CC=C(C=C1)OC 1 -7.3e-002 2 4 0 -9.8846386842269 3127295 C=COCCNC(=S)N1CCOCCOCCN(CCOCCOCC1)C(=S)NCCOC=C 1 1.78 4 6 0 -16.434059711869 3127292 C=COCCNC(=S)N1CCOCCN(CCOCCOCC1)C(=S)NCCOC=C 1 1.911 4 5 0 -16.434059711869 3127284 CCOCCCNC(=O)C(=O)NCCCOCC 1 -0.712 2 4 0 -13.4645150103695 3127270 CC1=C(C2=C(N1CCOC=C)C=CC(=C2)O)C(=O)C 1 2.112 1 3 -4.31033569621481 3127265 CC1N(C(=O)C2=CC=CC=C2O1)C3=CC=C(C=C3)OC=C 1 2.85 1 3 -6.77319371689628 3127258 CC1=CC(=NN1CCSCC(=O)O)C 1 1.003 2 2 0 -13.2535846637697 3127257 CC1=CC=NN1CCSCC(=O)O 1 0.72 2 2 0 -16.7846067981662 3127253 C=CCSC(=C(C#N)C#N)C1=CC2=C(N1)CCCC2 1 3.646 3 0 -6.77090932047418 3127246 CCC1=CC=C(C=C1)C2=CC=C(N2)C(=O)C(F)(F)F 1 4.795 1 1 0.369353639904565 3127172 CCC1(CC2=C(CO1)SC3=C2C(=O)NC(=N3)SCC(=O)OCC)C 1 2.935 2 4 -26.7717294823226 3127165 CC(C(C1=CC=CC=C1)O)N(C)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 1.489 5 3 0 -15.6808574226125 3127163 CC1C(N(C(C(C1(C#CC2=CC=CC=C2)O)C)C3=CC=CC=C3)C)C4=CC=CC=C4 1 5.904 1 1 4.51360596985106 3127155 C1=CC(=CC=C1NNC(=S)NC2=CC=C(C=C2)F)[N+](=O)[O-] 1 4.139 4 2 -3.10073553594762 3127119 C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)C4=CC=CC=N4 1 2.149 2 2 -2.3588767207337 3127117 CC1=NC(=CC=C1)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br 1 2.432 2 2 -0.785587512373537 3127116 CC1=CC(=NC=C1)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br 1 2.635 2 2 -2.0874581250913 3127113 C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)C4=CC=C(C=C4)S(=O)(=O)N 1 1.466 2 4 0 -6.99255134222837 3127112 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4CCCCC4C3=O 1 1.968 4 4 0 -11.364246192379 3127109 CC1(CC(=O)C(=CNCCN2CCN(CC2)C(=S)NC3=CC=CC=C3)C(=O)C1)C 1 2.993 4 2 -21.2617682953544 3127108 CC1(CC(=CC(=O)C1)NCCCNC2CCCCC2)C 1 2.372 2 1 -15.2231072507956 3127100 C1CSC(=N1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl 1 3.22 2 2 -2.16595403560431 3127094 CC1CC(N(C2=C1C=C(C=C2)OC)C(=O)NC3=CC=CC=C3)(C)C 1 4.077 2 2 -1.98896175233131 3127093 CC1CC(N(C2=CC=CC=C12)C(=O)NC3CCCCC3)(C)C 1 4.375 2 1 -5.74471215389981 3127088 CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C4CC4)C 1 4.084 1 5 -13.911377485621 3127068 C1CC1NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 0.799 2 2 0 -10.3020693790918 3127063 CC1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC=C3 1 3.126 4 3 0 -3.87878174975117 3127058 CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=CC3=CC=C(C=C3)OC 1 2.401 5 5 0 -10.8943268469503 3127057 CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=CC3=CC=C(C=C3)Cl 1 3.081 5 4 0 -8.65936194721932 3127041 CC1=C(C(=CC=C1)C)NC(=O)C(=O)NCCOC2=CC=C(C=C2)Cl 1 3.573 2 3 -9.45975478529038 3127024 CN1C2=CC=CC=C2C(C1=O)(C3CCCCCC3=O)O 1 1.836 1 3 0 0.838074093439116 3127020 CN(CCC1=NN=C(S1)N)[N+](=O)[O-] 1 1.672 5 2 0 -2.20808569113605 3127019 CC1=C(C(=O)NN1)C(C2=C(C=CC(=C2)[N+](=O)[O-])O)C3=C(NNC3=O)C 1 -0.539 5 5 0 -3.26586358670559 3127009 CCOC(=O)C1(CC(=NN1C(=O)C2=CC(=CC=C2)Br)C)O 1 1.786 2 4 0 -2.41805893250522 3126986 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 1.852 3 6 0 -13.1101042090286 3126980 CC(=O)NC1=CC(=CC(=C1)C(=O)NC(C)(C)C)NC(=O)C 1 0.21 3 3 0 -15.386716487236 3126979 C=CCNC(=S)NN=CC1=CC=CC=C1OCCOC2=CC=CC=C2 1 4.464 3 2 -9.2779194866728 3126954 CC1=CC=CC=C1OC2C(C(C(C(O2)CO)O)O)NC(=O)C 1 -0.124 1 6 0 -17.4159985223765 3126941 CC=NNC(=O)CNC(=O)CNC(=O)C1=CC=CC=C1 1 -0.969 4 3 0 -16.8440109323863 3126937 CC(=O)OCC(C(C(C(=O)NC1=CC=CC=C1)OC(=O)C)OC(=O)C)OC(=O)C 1 0.369 1 9 0 -8.40514909060927 3126863 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=C(C=C3)S(=O)(=O)N)C(=O)C 1 1.218 3 6 0 -10.7738358895007 3126862 CN=C(NC1=CC(=CC=C1)Cl)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC 1 3.756 3 3 1.32425342368199 3126858 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC)NC3=CC=C(C=C3)F 1 4.169 3 3 -1.023973175253 3126844 CN=C(NC1=CC(=CC=C1)OC)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O 1 2.721 3 5 0 -3.49502691743093 3126837 CC1=C(C=C(C=C1)NC(=NC)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC)C 1 4.064 3 3 -1.67253064766357 3126836 CN=C(NC1=CC=C(C=C1)Br)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC 1 3.84 3 3 -1.05927688753807 3126833 C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)NCC(=O)N 1 -0.338 3 3 0 -9.10730773162041 3126803 C1=CC(=CC(=C1)O)C(=O)NNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.432 4 5 0 -5.80982684118598 3126802 C1=CC(=CC=C1NC(=O)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-] 1 0.523 5 4 0 -8.20566655496652 3126799 C1=CC(=CC=C1C(=O)O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.047 3 5 0 -6.20017147346363 3126797 CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.157 3 4 0 -7.94952628752022 3126794 COC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.272 3 5 0 -7.32002052209562 3126793 CC1=CN=C(C=C1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.292 4 3 0 -6.66146624826959 3126779 C1CN(CCC1CNC(=O)C(=O)NC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.811 4 5 0 -15.0494775018162 3126778 CC1=CC=C(C=C1)NC(=O)C(=O)NCC2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.297 4 5 0 -15.9007690160454 3126777 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NN=CC3=CC(=C(C(=C3)OC)OC)OC 1 2.392 3 5 0 -11.680962250174 3126774 CCOC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 1.845 4 5 0 -25.0641467564766 3126767 CC(C)OCCCNC(=O)C(=O)NCCCOC 1 -0.683 2 4 0 -15.5234716271025 3126765 CC(C)OCCCNC(=O)C(=O)NCCCOC(C)C 1 4.3e-002 2 4 0 -13.2148109198286 3126762 CNC(=O)C(=O)NCCCN1CCOCC1 1 -1.384 3 3 0 -13.9923586378255 3126743 CCN(CC)C=NS(=O)(=O)C1=CC=C(C=C1)Cl 1 2.274 2 2 -2.76466026755264 3126734 C1=CC=C(C=C1)CN2C=NC3=C2C(=NC(=N3)Cl)N 1 2.199 5 0 -3.63276081590472 3126732 CC1=CC(=NC(=N1)NN=CC2=CC(=C(C(=C2)OC)OC)OC)C 1 2.069 4 3 0 -7.34305603869338 3126650 C1=CC=C(C=C1)C(=O)C(NC(=O)C2=CC=CS2)O 1 2.126 1 3 -9.46884828313772 3126630 CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=NC=C3 1 1.536 2 3 0 -3.26552246112968 3126626 CC1=CC(=O)N(N1)C2CCS(=O)(=O)C2 1 -1.057 2 3 0 -11.6947476775626 3126594 CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CN=CC=C2 1 4.145 2 2 -5.92035464999475 3126582 C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC=CO4 1 3.352 4 2 -4.67593466042221 3126579 C1COCCN1CCCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1 2.258 4 5 0 -0.43545168284583 3126542 CC1CCCN(C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 0.402 5 3 0 -23.2099253715749 3126541 CC(C1=CC=CC=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 0.92 5 3 0 -25.8256870433314 3126531 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC=C(S3)[N+](=O)[O-] 1 1.398 3 5 0 -4.70459260367717 3126522 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)N4CCN(CC4)CC5=CC=CC=C5 1 3.634 5 4 0 -4.83141662424617 3126520 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 4.222 5 4 0 -3.68252987053679 3126519 CN(C1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)N(C)C3=CC=CC=C3 1 3.705 3 4 0 -6.62676231329183 3126475 COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCN 1 0.517 2 4 0 -7.58016315947276 3126472 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(CS2)C(=O)OCC 1 1.217 2 5 0 -17.1606340178847 3126463 CC1=CC(=NC(=N1)SCC2COC3=CC=CC=C3O2)C 1 3.142 2 2 -5.94492080031236 3126439 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(SC=C3)C 1 1.798 4 1 0 -7.28520072994052 3126420 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NN 1 1.439 3 4 0 -0.602192741555607 3126386 CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NCCCN2CCOCC2 1 2.444 2 3 -4.05488422924202 3126374 CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)Cl)OC 1 2.733 1 5 -10.1759284571443 3126370 CC1=CC(=C(C(=C1)C)C(=O)NCCCN2CCOCC2)C 1 2.385 2 2 -10.0521144801917 3126365 CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.463 3 4 0 -11.310753867015 3126364 CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C 1 2.496 2 4 -15.039681291378 3126341 CCC(CC)NC1CCCCC1OC 1 2.857 1 1 -3.02349836870081 3126290 CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)C#N 1 5.186 2 1 -3.56728101468979 3126242 CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OCC 1 5.269 1 1 -2.02996634512466 3126214 CCCCC1=CN=C(C=C1)C2=CC=C(C=C2)Br 1 5.229 1 0 -0.217477596986016 3126197 CC(=O)C1=CC2=C(C=C1)NC(C3C2C(C(C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C5=CC=CC=C5[N+](=O)[O-] 1 5.764 3 5 0 -7.59355974874963 3126138 CCOC(=O)C1=C(N2C(=C(C1C3=CC=NC=C3)C(=O)OC)SC(=CC4=CC=NC=C4)C2=O)N 1 1.274 4 5 0 -15.4254334681441 3126137 CCOC(=O)C1=C2N(C(=C(C1C3=CC=NC=C3)C(=O)OC)N)C(=O)C(=CC4=CC=NC=C4)S2 1 1.274 4 5 0 -15.4254334681441 3126093 CC1=CC=CC=C1OCC(CN2C3=C(N=C2NCC4=CC=CC=C4)N(C(=O)NC3=O)C)O 1 2.763 5 4 0 -8.06838677229924 3126091 CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C)O 1 2.303 5 4 0 -4.25725023727475 3126086 CC1=CC=C(C=C1)CN2C3=C(N=C2SCC=C)N(C(=O)NC3=O)C 1 3.464 4 2 -12.7555272095559 3126083 CCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C 1 2.162 4 4 0 -19.8561837972985 3126078 CC1=CC(=CC=C1)N2C(=O)C3=C(N2)C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O 1 4.054 2 3 0.867225110263148 3126077 C1=CC=C(C=C1)N2C(=O)C3=C(N2)C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O 1 3.567 2 3 0.12619810166804 3126076 CC1=CC(=C(C=C1)C(=O)C)OC(=O)C2=CC(=CC=C2)F 1 3.693 0 3 -6.19958617323513 3126048 CC(C)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O 1 3.613 0 5 -2.85717139660508 3126042 CNC1=C(C=CC2=C1C(=O)C3=CC=CC=C3C2=O)C(=O)O 1 2.246 1 4 -2.40422188640013 3125980 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COCC3=CC=C(C=C3)Cl)OCC4=CC=C(C=C4)Cl 1 4.162 4 4 0 -13.119268162804 3125929 CC1=CC=C(C=C1)C(=O)CC(C2=CC(=C(C=C2)OC)OC)C(C#N)C#N 1 3.713 2 3 -5.76748297839629 3125905 CN(C)N=NC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O 1 2.646 4 4 0 -10.7386678106149 3125902 CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C 1 0.67 2 5 0 -20.9174710654043 3125900 CCOC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.957 2 5 0 -17.439165078486 3125779 CCOC(=O)C1=C2N(C(=C(C1C3=CN=CC=C3)C(=O)OC)N)C(=O)C(=CC4=CN=CC=C4)S2 1 1.274 4 5 0 -15.6121176856883 3125778 CCOC(=O)C1=C(N2C(=C(C1C3=CC=NC=C3)C(=O)OCC)SC(=CC4=CC=NC=C4)C2=O)N 1 1.623 4 5 0 -12.8106125162197 3125699 CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)C3C4=C(C5=CC=CC=C5C=C4)OC(=C3C#N)N)OC 1 4.86 3 4 0 -12.5587044191395 3125696 CC1=CC=CC=C1OCC(CN2C3=C(N=C2Br)N(C(=O)NC3=O)C)O 1 2.287 4 4 0 -5.31464466757739 3125667 CCN(CC)C(=O)C1CCCN(C1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.605 3 3 -8.13198429065819 3125646 CCCC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3)C(=O)OCC 1 4.441 3 4 0 -21.4735301333585 3125638 CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3)C(=O)OC 1 3.112 3 4 0 -20.0274117835371 3125637 CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=NN=NN4C5=CC=CC=C5)C 1 5.699 7 2 0 -24.716221081687 3125629 CCN(CC)C(=O)C1CCCN(C1)C2=CC=CC=C2[N+](=O)[O-] 1 2.605 3 3 -10.5048896040912 3125610 CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC 1 2.629 3 4 0 -7.41617217440103 3125606 COC1=CC(=C(C=C1)OC)N2C(=O)CCCC2=O 1 1.413 1 4 0 -5.80574834534004 3125605 CC1=CC(=C(C(=C1)Cl)N2C(=O)CCCC2=O)C 1 3.083 1 2 -3.18097672237239 3125599 CC1=CC(=C2C3C=CCC3C(NC2=C1)C(=O)O)C 1 2.97 1 2 -2.97807871493132 3125556 CCCCCCCCCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 5.949 4 5 0 -26.4546215113374 3125542 CC(C)CCC(C(C)CC(=O)NNC(=O)C1=CC=CO1)C(=O)O 1 2.238 2 5 0 -13.9850507796526 3125519 CC1(CC(=O)C(=CNCCN2CCNCC2)C(=O)C1)C 1 -0.271 3 2 0 -16.6586723902067 3125518 CN(C)/C=C/1\C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4 1 3.356 4 1 -2.04402188297833 3125499 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)SC3=NC=NN3 1 1.855 4 2 0 -0.62707932039614 3125498 CC1=NN=C(S1)SC2CC(=O)N(C2=O)C3=CC=CC=C3 1 1.802 3 2 0 -5.78534504261108 3125474 CC(C)C(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C 1 4.456 1 5 -13.4905046760163 3125473 CCCC(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C 1 4.449 1 5 -16.6904105297332 3125469 CCOC(=O)C1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.23 2 4 -14.9117291898334 3125450 COC1=CC=C(C=C1)CCNC(=O)C(=O)NCC2CCCO2 1 0.974 2 4 0 -15.1802070864879 3125446 CC(C)(C)C1CCC(=NNC(=O)C(=O)NC2CCCCC2)CC1 1 3.122 3 2 -14.0595210121339 3125445 CC1=C(SC=C1)C=NNC(=O)CC(=O)NCC(C)C 1 2.039 3 2 -10.4529095516685 3125441 CC1=C(SC=C1)C=NNC(=O)C(=O)NCC(C)C 1 2.004 3 2 -9.434472242237 3125406 C1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=S)C=NNC(=O)C3=CC(=C(C(=C3)Br)O)Br 1 3.611 4 4 0 -5.679689973103 3125382 C1C(C(C(=O)N1)C(=O)NN=CC2=CC=C(S2)Cl)C3=CC=CC=C3 1 2.222 3 2 -5.19994263263784 3125374 C1=CC=C2C=C(C(=CC2=C1)NC3=C(C(=O)OC4=CC=CC=C43)[N+](=O)[O-])O 1 3.398 2 5 0 -6.19182220462722 3125372 C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC(=CC=C3)O 1 2.489 2 5 0 -4.27019122225041 3125367 C1C(N(N=C1C2=CC=CC=C2)C=O)C3=CC=C(C=C3)Cl 1 3.337 2 1 2.7823229307773 3125354 CCOC1=CC=C(C=C1)C(C)(CN2CCOCC2)O 1 1.618 1 3 0 -2.02085012205648 3125351 CCCCOC1=CC=C(C=C1)C(CC)(CCN2CCOCC2)O 1 3.184 1 3 -3.90058760973526 3125349 CCCC(CCN1CCCCC1)(C2=CC=C(C=C2)OCCC)O 1 4.413 1 2 -0.185785216903961 3125347 CCCC(CCN1CCCCC1)(C2=CC=C(C=C2)OCC)O 1 3.889 1 2 -0.854821190767917 3125344 CN(C)C1=NC(=NC(=N1)N(CCOC2=CC=CC=C2OC)C#N)N(C)C 1 1.683 7 2 0 -6.0710579646006 3125332 CCCCOC1=CC=C(C=C1)CC2CCC(=O)NC2=O 1 2.927 1 3 -7.99843476651947 3125329 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2Cl)N=NCC3=CC=C(C=C3)OC 1 4.906 5 3 0 -5.19249837625775 3125317 CCCCCCCC1CC(OC1=O)CSC2=NC=NN2 1 3.997 3 2 -10.4877595969178 3125316 CCC1CC(OC1=O)C(=NNC(=O)N)C 1 0.132 3 3 0 -8.09248663908913 3125315 CCOC(=O)C1(CC(OC1=O)CSC2=NC3=CC=CC=C3N2)CCC(C)C 1 4.77 2 4 -6.62021309497801 3125305 CC(C)CC1CC(OC1=O)C(=NNC(=O)N)C 1 0.84 3 3 0 -10.7768348885269 3125303 CCCCC(CCCCl)C(=O)NC1=CC=CC=C1 1 4.339 1 1 -8.40620971027534 3125301 CC(=NNC(=O)N)C1CC(C(=O)O1)CC2=CC=CC=C2 1 1.164 3 3 0 -6.17647041150193 3125294 CC1=CC=C(C=C1)S(=O)(=O)NC(CSC)C(=O)O 1 1.458 1 4 0 -17.2177689815985 3125279 CCCOCC(CC(CC)C(=O)NNC(=S)NC1=CC=CC=C1)O 1 3.196 3 3 -9.47000771076406 3125277 CCCCC(CC(COCCC)O)C(=O)NN 1 1.174 2 3 0 -8.25955824170321 3125276 CCCCC(CC(COCC(C)C)O)C(=O)NN 1 1.494 2 3 0 -9.7957863128242 3125269 CC1=CC=C(C=C1)S(=O)(=O)NNC2=CC(=O)CC(C2)C3=CC=C(C=C3)OC 1 2.61 2 4 -11.4948317739926 3125260 CCC1(CC2=C(CO1)C(=S)N(C(=C2C#N)N)C3=CC=CC=C3)C 1 3.502 3 1 -2.37189796852775 3125257 CCC1(CC2=C(C(=NC(=C2CO1)N3CCOCC3)SC)C#N)C 1 3.013 3 2 -10.0203283538129 3125219 C1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2 1 1.934 1 3 0 -7.52603174347151 3125213 CC(C1COC2=CC=CC=C2O1)NC(=O)CC3=CC(=C(C=C3)OC)OC 1 2.88 1 5 -14.2142309724339 3125212 CC(C1COC2=CC=CC=C2O1)NS(=O)(=O)C3=CC=CC=C3 1 2.581 1 4 -11.6864916500198 3125200 CC1=CC=C(C=C1)C2=NNC(=O)C(C2)C3=CNC4=CC=CC=C43 1 3.323 3 1 -5.71194357860401 3125195 CCOC(=O)/C(=C/NC1=CC=CC=C1OC)/C#N 1 1.665 2 3 0 -8.07736595180571 3125194 CC1=C(C(CC1)C(=C)C)COC(=O)NC2=CC=CC=C2 1 4.353 1 2 -1.9367592917251 3125191 CC1C=CCC(C1C(=O)CC(C)NNC(=O)N)(C)C 1 1.271 3 2 0 -5.73994185747251 3125183 CCN(CC)C1=CC=C(C=C1)N2C(=O)CSC2=S 1 3.586 2 1 -7.29623249301079 3125146 CC1=CC(=O)N(C(=O)N1CCCCCCOC2=CC=CC(=C2)[N+](=O)[O-])C 1 2.995 3 5 0 -9.36147841283919 3125145 CC1=CC(=O)N(C(=O)N1CCCCCOC2=CC=CC(=C2)[N+](=O)[O-])C 1 2.539 3 5 0 -9.36147841283919 3125144 CC1=CC(=O)N(C(=O)N1CCCCOC2=CC=CC(=C2)[N+](=O)[O-])C 1 2.082 3 5 0 -9.30422829530282 3125143 CC1=CC(=O)N(C(=O)N1CCCCCCOC2=CC=C(C=C2)[N+](=O)[O-])C 1 2.995 3 5 0 -7.87036241902016 3125141 CC1=CC(=O)N(C(=O)N1CCCCOC2=CC=C(C=C2)[N+](=O)[O-])C 1 2.082 3 5 0 -7.8131123014838 3125047 CC1=CC(=NC(=N1)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC)C 1 2.929 4 4 0 -10.9830265183065 3125014 C1=COC(=C1)CNC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.349 3 3 -11.4553195957992 3125012 CC1=CC(=CC=C1)NC2=C(C(=O)N(C3=CC=CC=C32)C)[N+](=O)[O-] 1 2.776 3 3 -1.53700620280816 3125006 CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C 1 1.384 3 4 0 -15.4869960591811 3125001 CC1=NN(C(=O)C1C(C2=CC=C(C=C2)Cl)C(C#N)C#N)CC3=CC=CC=C3 1 3.279 4 1 0.126619969585919 3124999 CC1=NN(C(=O)C1C(C2=CC=CC=C2)C(C#N)C#N)CC3=CC=CC=C3 1 2.615 4 1 -3.80411608850426 3124991 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N(C)C)NC(=O)C 1 1.281 4 3 0 -19.8135113367635 3124981 C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC=CC=C3O 1 2.489 2 5 0 -5.5825250953799 3124959 CNC1=NN2C(=NN=C2C(C(C(F)(F)F)(F)F)(F)F)C=C1 1 2.06 5 0 -7.40861478345642 3124957 C1=CC2=NN=C(N2N=C1NN)C(C(C(F)(F)F)(F)F)(F)F 1 1.362 6 0 0 -3.63752471237878 3124945 C1=CC=C(C=C1)C2C(NC(C(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5 1 5.762 1 1 -2.21339964258981 3124868 C1COCCN1CCCNC(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CO4)C(F)(F)F 1 3.005 5 3 0 -12.3016080113866 3124861 COCCNC(=O)C1=NN2C(=C1)N=C3C(=C2C(F)(F)F)CCC4=CC=CC=C43 1 3.527 4 2 -13.3871701334007 3124859 CCCCNC(=O)C1=NN2C(=C1)N=C3C(=C2C(F)(F)F)CCC4=CC=CC=C43 1 4.986 4 1 -12.6717438300309 3124763 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC(=CS3)CC(=O)OCC 1 4.2 3 5 0 -7.33996771695138 3124727 C1CN(CC2=CC=CC=C21)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.544 2 2 -2.50916008430018 3124725 C1CSCCN1C2=CC=C(C=C2)[N+](=O)[O-] 1 2.319 2 2 -0.843325725110935 3124722 CN1CCCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.906 3 2 0 2.90012453031597 3124720 CCN(CC)C(=O)C1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.499 4 5 0 -10.5375175752257 3124718 C1=CC=C(C=C1)CN(CCO)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.825 3 5 0 -2.27709389159779 3124714 C1CN(CCN1CCOCCO)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.068 4 6 0 0.249197455595755 3124694 C1CS(=O)(=O)CC1CNC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1 1.019 4 8 0 -9.79219118460573 3124665 CCCN1C(=O)/C(=C\2/C=CC3=CC=CC=C3N2CC)/SC1=S 1 4.349 2 1 -4.59944680482306 3124662 C1CC(=O)NC1C(=O)NC2=CC(=CC=C2)Br 1 1.149 2 2 0 -8.29102208357058 3124661 C1CC(=O)NC1C(=O)NC2=CC=C(C=C2)Cl 1 1.065 2 2 0 -7.92773993146909 3124632 CCCNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)C 1 0.832 2 3 0 -6.70462316271573 3124631 CC1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)N 1 2.278 2 2 0.511391429298918 3124630 CC1=CC=CC=C1NC2=C(C(=O)OC3=CC=CC=C32)N 1 2.278 2 2 -1.05237200628751 3124580 C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Br)NC(N2CC(=O)O)C4=CC=CC=C4O 1 1.879 2 3 0 -6.20782413112076 3124560 CC(=O)NNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] 1 1.809 3 3 0 -0.167566182829992 3124533 CC(=O)NC1=C(C=C2C(=C1[N+](=O)[O-])NC(=O)N2)[N+](=O)[O-] 1 -0.398 5 6 0 -9.73689952041188 3124520 CC(C1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)Cl 1 3.571 2 1 -5.89702314383578 3124490 CC1=CC(NC2=C1C=C(C=C2)OC(=O)CN3C(=O)C4CCCCC4C3=O)(C)C 1 3.221 2 4 -12.895474889158 3124481 CC1=CC=C(C=C1)C2(CC(N(C3=CC=CC=C32)C(=O)CSC4=NN=C(S4)C)(C)C)C 1 5.038 3 1 -21.2771042001738 3124480 CC1=NN=C(S1)SCC(=O)N2C3=CC=CC=C3C(CC2(C)C)(C)C4=CC=C(C=C4)Cl 1 5.216 3 1 -19.2668089152532 3124457 CC(C1=NC2=CC=CC=C2O1)N3C(=O)C4=CC=CC=C4C3=O 1 2.649 2 3 -3.45622448781193 3124447 C1CC(OC1)C(CC(=O)NCC2=CC=CC=C2)C(=O)O 1 1.072 1 4 0 -16.9981326301057 3124417 CCN1C2=CC=CC=C2N(C1(C)C3=CC=CC=C3)C 1 4.044 2 0 -0.609510134556506 3124392 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC)NC3=CC(=CC=C3)OC 1 3.424 3 4 0 -2.26669181390618 3124366 CC1=C(C2=C(C=C1)C3C(CC(C3Cl)SC4=CC=CC=C4[N+](=O)[O-])C(N2)C(=O)O)Cl 1 5.285 2 4 -5.86901504308294 3124341 CC(C)OC1=CC=CC=C1C2(C(=O)NC(=O)N2)C3=CC=CC=C3 1 2.814 2 3 -7.64371557531323 3124301 CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC)C)O 1 2.548 1 5 -34.1563153278757 3124282 CC(=O)NC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3C4=CC=CC=C42)O 1 3.771 2 3 -0.360503206215324 3124264 COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O)C(=O)OC 1 2.931 2 10 0 -15.4304082483585 3124261 CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=CO2 1 2.107 1 5 -9.73468834722875 3124235 CC1CCN(CC1)CC(=O)NNC(=O)C2=CC(=CC=C2)Br 1 2.13 3 2 -10.2386922341972 3124205 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)F)O 1 2.477 1 4 -16.5382480361803 3124197 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2F)CCCN3C=CN=C3)O 1 0.721 3 3 0 -16.5927933166618 3124193 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Br)CCCN3C=CN=C3)O 1 1.264 3 3 0 -14.0146270657021 3124192 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Cl)CCCN3C=CN=C3)O 1 1.18 3 3 0 -12.5579673206007 3124191 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)OC)CCCN3C=CN=C3)O 1 0.499 3 4 0 -14.7929322203317 3124190 CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C 1 1.002 3 3 0 -14.3799660111875 3124177 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2OC)C3=CC=C(C=C3)O)O 1 2.03 1 5 -15.2841626509452 3124172 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)O)O 1 1.94 2 6 0 -16.8280611247942 3124171 CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)O)O 1 1.94 2 6 0 -20.1635483764744 3124170 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)O)O 1 1.94 2 6 0 -17.9774354631776 3124169 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2Cl)C3=CC=C(C=C3)O)O 1 2.71 1 4 -15.8843967470207 3124168 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)F)C3=CC=C(C=C3)O)O 1 2.252 1 4 -15.1711606503552 3124167 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)O)O 1 2.03 1 5 -16.2960038849646 3124166 CC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=C(C=C3)O)O)C(=O)C 1 2.532 1 4 -15.8830376758204 3124129 CC(C)CC(C(=O)N)NC(=O)C(C(C)C)NC(=O)C(CCSC)NC(=O)OC(C)(C)C 1 1.776 4 5 0 -34.5064305406039 3124124 CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C2CCC(=O)N2C(=O)OCC3=CC=CC=C3 1 2.778 4 6 0 -30.0365776359653 3124118 CN1C(=O)CSC1=NC2=CC(=CC=C2)Cl 1 2.752 2 1 -1.29104633607143 3124100 C1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 1 2.99 3 2 -0.797950278580247 3124086 C1CC2=C(C1)NC3=CC=CC=C3C2=O 1 2.325 1 1 -11.0716077955007 3124085 CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)CC(=O)N 1 2.762 3 1 5.65868154985762 3124075 CCOC(=O)CCC(=O)C1=C(OC2=C1C=C(C=C2)OC)C 1 2.422 0 5 -10.21551947164 3124064 CC1=NN=C(C2=CC=CC=C12)NC3=CC=C(C=C3)OC 1 2.838 3 1 -4.6988501372367 3124059 C1CC2=C(C1)SC3=NC=NC(=C23)NN=CC4=CC=NC=C4 1 3.046 5 0 -2.99040514398443 3124029 CC(=C)CNC(=S)NNC(=O)CCN1C2=C(C=C(C=C2)Cl)C3=C1C=CC(=C3)Cl 1 5.61 4 1 -7.7387233959755 3124013 CC1=CC=C(C=C1)C(=O)NNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=C(C=C4)OC 1 3.983 4 6 0 -12.4157486281944 3124011 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NNC(=O)C4=CC=CC=C4Cl 1 4.162 4 6 0 -14.5295280584421 3124010 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NNC(=O)C4=CC=C(C=C4)OC 1 3.481 4 7 0 -13.2420675704119 3124009 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NNC(=O)C4=CC=CC=C4 1 3.497 4 6 0 -13.5622000119738 3124008 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NNC(=O)C4=CC=NC=C4 1 2.347 5 6 0 -13.4128572841017 3123947 CC(C)(C)NC(=O)CCCCCCCC(=O)NC(C)(C)C 1 2.941 2 2 -13.7451219936755 3123939 C1=CC=C(C=C1)NC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)NC2=CC=CC=C2 1 2.561 6 4 0 -10.4677324718287 3123929 CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(CNC(C)(C)C)O)Br)NC(=O)C 1 2.896 2 5 0 -10.4314574070657 3123923 C1=CC=C(C=C1)SCC(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 2.089 2 3 -6.97979750958351 3123879 C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NN=C(O4)C5=CC=CS5 1 3.946 2 3 -1.23533222765599 3123875 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(O3)C4=CC=C(C=C4)Br 1 4.692 3 3 1.69972438539112 3123873 COC1=CC=C(C=C1)C2=NN=C(O2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O 1 3.976 2 4 4.33362228793491 3123755 CC1C(NC(C(C1=O)C)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C 1 4.67 1 1 -0.938461158783463 3123746 CCC1C(NC(CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-] 1 3.48 3 5 0 -1.38264194272902 3123702 CC1=NN(C(C1)(C2=CN=CC=C2)O)C(=O)CC3=CC=C(C=C3)C 1 1.722 3 2 0 -7.11796899776572 3123700 CC1=NN(C(C1)(C2=CN=CC=C2)O)C(=O)C3=CC=CC=C3Br 1 1.95 3 2 0 -3.61358144351005 3123699 CC1=NN(C(C1)(C2=CN=CC=C2)O)C(=O)C3=CC=CC=C3Cl 1 1.866 3 2 0 -4.52863239956854 3123634 CC1=C(N=C(S1)NN=CC2=CN=CC=C2)C3=CC=C(C=C3)Cl 1 3.414 4 0 3.50740869516255 3123633 CC1=C(N=C(S1)NN=CC2=CN=CC=C2)C3=CC=CC=C3 1 2.75 4 0 1.11349936173576 3123599 COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2C=NC=N2)[N+](=O)[O-] 1 1.016 5 6 0 -9.07620003343294 3123595 CC1=C2C(=C(SC2=NC(=C1[N+](=O)[O-])C)C(=O)NC3=CC=CC=C3)N 1 2.732 4 3 0 -3.9448444657059 3123582 C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)Cl 1 4.19 2 0 7.32140467509623 3123574 CN(C)C1=CC=C(C=C1)C=NNC(=O)CCCO 1 1.078 3 2 0 -9.48345658170804 3123557 CN1C2=CC(=C(C=C2N=C1N=NC3=CC=C(C=C3)OC)Br)Br 1 5.942 4 1 9.52535309286968 3123554 CN1C2=C(C=CC(=C2)Br)N=C1N=NC3=CC=C(C=C3)OC 1 5.194 4 1 10.6420769656364 3123550 CN1C(=C(N=C1C(C2=CC=C(C=C2)Br)O)Cl)Cl 1 3.311 2 1 -0.95209884356035 3123505 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CCOC 1 1.283 5 4 0 -20.4138946345985 3123502 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CCOC 1 1.937 4 5 0 -20.8207055152388 3123489 CC1=CC=C(C=C1)CSC2=NC3=C(N2CCOC)C(=O)NC(=O)N3C 1 2.716 4 3 0 -15.2031998270601 3123488 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CCOC 1 2.894 4 3 0 -13.3812011364733 3123404 CC(=C(C(=O)NN=CC1=CC=CC=C1OC)NC(=O)C2=CC=CC=C2)C 1 3.038 3 3 -10.6555557209372 3123388 CC1CCN(CC1)C2=NC(=C(C(=C2C#N)C)[N+](=O)[O-])C 1 2.471 4 2 -4.45269379766157 3123375 CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)O)OC)C(=O)NC3=CC=C(C=C3)OC 1 3.007 3 4 0 -25.0691900064535 3123325 CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C 1 1.043 1 11 0 -32.722676824369 3123324 CC(=O)NC1C(C(C(OC1OC2=CC=C(C=C2)C=O)COC(=O)C)OC(=O)C)OC(=O)C 1 0.286 1 10 0 -31.7656781583893 3123320 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O 1 3.569 3 5 0 -3.1029471990711 3123319 CC1=C(C(NC(=S)N1)C2=CC=CO2)C(=O)OC 1 1.641 2 3 0 -27.4785906293316 3123302 C1=CC=C(C=C1)CCNCC(COC2=CC=C(C=C2)OCC(CNCCC3=CC=CC=C3)O)O 1 3.79 2 4 -0.295516758649587 3123301 CC(C(=O)N1CCN(CC1)C2C3=CC=CC=C3C4=CC=CC=C24)N5C(=O)C6=CC=CC=C6C5=O 1 3.453 3 3 -13.8204599029164 3123293 COC1=C(C=C(C=C1)C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC)OC 1 1.718 1 8 0 -9.65396720521909 3123266 CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC(=O)CC2=CC=CC=C2)OC(=O)C)OC(=O)C 1 0.433 1 10 0 -29.6359790528675 3123224 CC1(C2CCC1(C(=O)N(C2=O)CC3CO3)C)C 1 1.014 1 3 0 -8.04135891036749 3123213 CC(=O)NC1C(C2C(COC(O2)C3=CC=CC=C3)OC1OCC4=CC=CC=C4)OCC(=O)O 1 1.519 1 8 0 -15.6267160423171 3123192 C1COCCOCCOCCNC(=S)N2CCOCCOCCN(CCOCCOCC2)C(=S)N1 1 0.926 4 7 0 -9.2979894122336 3123191 C1COCCOCCNC(=S)N2CCOCCOCCN(CCOCCOCC2)C(=S)N1 1 1.057 4 6 0 -9.2979894122336 3123190 C1COCCOCCOCCOCCNC(=S)N2CCOCCN(CCOCCOCC2)C(=S)N1 1 0.926 4 7 0 -9.2979894122336 3123186 C1COCCNC(=S)NCCOCCOCCNC(=S)N1 1 0.56 4 3 0 -9.7295115658125 3123184 C1CNC(=S)NCCOCCOCCOCCNC(=S)N1 1 0.56 4 3 0 -10.5840515237033 3123183 C1CNC(=S)NCCOCCOCCNC(=S)N1 1 0.69 4 2 0 -10.5840515237033 3123182 C1CNC(=S)NCCOCCNC(=S)N1 1 0.821 4 1 0 -10.2187669491091 3123181 C1COCCOCCOCCOCCNC(=S)N1 1 -4.8e-002 2 4 0 -9.7295115658125 3123175 CCCCCCCCOC1C(C(C(C(O1)CO)O)O)NC(=O)C 1 0.78 1 6 0 -21.1739194440856 3123166 CCCCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)NC(=O)C 1 2.605 1 6 0 -21.1739194440856 3123018 CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)C)[N+](=O)[O-] 1 3.653 5 3 0 -25.9078992016524 3122942 C1=CC=C(C(=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2)Br 1 4.706 2 0 4.12925934870179 3122876 CCCC=NNC(=O)C1=CC=CC=C1O 1 1.792 2 2 0 -2.39967447268514 3122912 CC1=C(SC2=C1C(=O)N(C(=N2)SCC=C)CC=C)C 1 3.888 2 1 -21.071793133541 3122908 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCN(CC)CC 1 1.868 3 4 0 -14.680570869436 3122905 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2CCCO2 1 1.847 2 5 0 -20.5000095802382 3122904 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2CCCO2 1 1.391 2 5 0 -19.1361547697622 3122903 COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2CCCO2 1 0.518 2 5 0 -17.8229321400778 3122901 CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=CO2 1 1.273 2 5 0 -15.7309366442772 3122824 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O)OC 1 1.071 4 7 0 -23.7330168452073 3122816 CC(CN)(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2 1 1.729 2 2 0 -5.53543478197864 3122810 CC1=CC=CC2=NC(=CN12)CSC3=CC=CC=C3N 1 2.446 3 0 -2.67494753857364 3122807 COC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=CS4 1 5.432 1 1 -1.41834805274961 3122796 COC1=C(C=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=CS4)OC 1 5.415 1 2 -5.47945936030707 3122786 COC1=CC=C(C=C1)C2CC(=NN2C3=CC=CC=C3)C4=CC=CS4 1 5.118 2 1 -1.45555952886206 3122739 CCC1=CC2=C(C=C1)N=C(N=C2C)N=C(N)N 1 1.452 5 0 0 3.15989348032739 3122734 CCCC(=O)N1C(CC(C2=CC=CC=C21)N(C3=CC=CC=C3)C(=O)C)C 1 3.476 2 2 -11.296134188458 3122681 CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CCl 1 1.498 2 5 0 -22.6489469216251 3122679 CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)OC3CCCCC3 1 3.329 2 5 0 -30.2319739728608 3122470 C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NN2C=NN=C2 1 2.2e-002 6 5 0 -8.38913519802038 3122378 COC1=CC(=C(C=C1)OC)NC(=O)C2C(C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O 1 3.615 1 5 -3.99027743101789 3122377 CCOC1=CC=C(C=C1)NC(=O)C2C(C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O 1 3.98 1 4 -3.14608120979121 3122375 C1C=CCC(C1C(=O)NC2=C(C(=CC=C2)Cl)Cl)C(=O)O 1 3.145 1 3 -3.45909152186349 3122367 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=NN2C)[N+](=O)[O-] 1 0.57 5 4 0 -9.50751221745574 3122355 CC1=CC=C(C=C1)NC2=NNC(=C2[N+](=O)[O-])C 1 2.252 4 2 1.7443361418449 3122354 CC1=CC(=CC=C1)NC2=NNC(=C2[N+](=O)[O-])C 1 2.252 4 2 4.02472294670662 3122353 CC1=C(C(=NN1)NC2=CC=CC=C2)[N+](=O)[O-] 1 1.765 4 2 0 1.77597859780535 3122290 C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=O)CCCC(=O)O 1 2.755 1 4 -13.5933396148565 3122276 CC1C=C(CC(C1C(=O)O)C(=O)NC2=CN=CC=C2)C 1 1.364 2 3 0 -6.38046084005121 3122268 CC1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)Cl 1 4.676 2 0 7.96433408842384 3122246 CCCCC1(CC2=CC=CC=C2C(=S)N1)C 1 4.225 1 0 -1.03095997343364 3122245 CCC1(CC2=CC=CC=C2C(=S)N1)C 1 3.312 1 0 -2.00789727024474 3122239 C1=CC(=CC=C1C2C3=C(C=C(C=C3)N)OC(=C2C#N)N)F 1 2.32 3 1 -1.34729788028092 3122238 CCOC(=O)C1=C(OC(=C(C1C2=CC=NC=C2)C#N)N)C3=CC=CC=C3 1 2.047 3 3 -11.4425985123216 3122172 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2Cl)C3=CC(=CC=C3)Br)O 1 3.701 1 3 -14.9730917634958 3122167 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2Cl)CC(=O)O)O 1 0.857 1 5 0 -21.0536631501546 3122141 CC1CCCC(N1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)C 1 4.829 2 1 0.827560283784772 3122124 C1CCC(CC1)NC(=O)C(=O)NCCCN2C=CN=C2 1 0.39 4 2 0 -11.4107528673258 3122122 C1CC(OC1)CNC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3 1 0.438 2 5 0 -16.0646009702844 3122103 COC1=NC(=NC(=C1)NC(=O)CCC(=O)OCCCC(C(F)(F)F)(F)F)OC 1 2.691 3 5 0 -22.8504407673712 3122100 C1=CC=C(C=C1)NC(=S)NC2=NC=C(C=C2)Cl 1 3.947 3 0 -2.4047090918816 3122099 C1=CC=C2C(=C1)C(=C(C#N)C#N)C(=O)N2CCCC#N 1 1.436 4 1 0 -4.65439648532323 3122089 C1=CC(=C(C=C1Cl)C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O)[N+](=O)[O-] 1 2.628 3 6 0 -1.1242427873602 3122056 C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C3=NNN=N3 1 2.273 6 2 0 -1.11205307704585 3122052 CC1CCCN(C1)C2=NC3=NON=C3N=C2NC4=CC=CC=C4F 1 2.465 6 1 0 -14.8555500722898 3122051 CC1CCCN(C1)C2=NC3=NON=C3N=C2N4CCCC(C4)C 1 2.125 6 1 0 -13.4994071401887 3122025 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4 1 5.132 2 3 -6.37735013878654 3122021 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)C(CC3=CC=CC=C3)C(=O)O 1 3.372 1 4 -7.38184459092228 3122020 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)C3=C(C=CC(=C3)C)C 1 4.399 1 2 -3.65218893965912 3122019 CC1=C(C=CC=C1Cl)N2C(=O)CC(C2=O)CC3=CC=CC=C3OC 1 4.075 1 3 -3.23160722608567 3121948 C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=CS4)C5=CC=CC=C5 1 4.629 2 1 0.56163102208109 3121944 C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=CS4)C(=O)C5=CC=CC=C5 1 4.52 2 2 -1.14098663736275 3121935 COC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C5=CC=CS5 1 4.618 2 2 -3.43886875274826 3121790 CC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C(=O)C5=CC=C(C=C5)C 1 5.539 2 2 -1.5090161240474 3121789 CC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C(=O)C5=CC=CC=C5 1 5.053 2 2 -1.6467577463516 3121511 CC1=CC(=CC(=C1)N2C(=CC(=C2C)C=C(C#N)C#N)C)C 1 4.155 3 0 -1.72284264568009 3121506 CC1=CC(=CC(=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=O)N(C3=O)C)C)C)C 1 3.415 3 3 -7.11059394836481 3121411 CN1C(N(C(=O)C2=CC=CC=C21)C)C3=CC=C(C=C3)N(C)C 1 3.17 3 1 -5.55709181512608 3121410 CN1C(N(C(=O)C2=CC=CC=C21)C)C3=CC=C(C=C3)F 1 3.213 2 1 -2.18392841104818 3121408 CC1=CC=C(C=C1)C2N(C3=CC=CC=C3C(=O)N2C)C 1 3.494 2 1 -2.89580543651343 3121407 CN1C(N(C(=O)C2=CC=CC=C21)C)C3=CC(=C(C=C3)O)OC 1 2.749 2 3 -1.65690651980222 3121405 CN1C(N(C(=O)C2=CC=CC=C21)C)C3=CC=CC=C3Cl 1 3.672 2 1 -3.49475160498578 3121404 CN1C(N(C(=O)C2=CC=CC=C21)C)C3=CC(=CC=C3)O 1 2.766 2 2 -2.02287670446578 3121403 CC1=CC=C(C=C1)C2NC3=C(C(=O)N2)SC(=S)N3C4=CC=CC=C4 1 4.836 3 1 -2.23670380343803 3121394 CC1=C(SC(=C1C#N)N)C(=O)NN=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 3.479 5 4 0 -5.19298953329866 3121392 CC(=NNC(=O)C1=CC=NC=C1)CC(=O)NC2=CC=CC=C2C#N 1 0.683 5 2 0 -11.3909278271632 3121387 COCCNC(=O)CC(=O)NN=CC1=CC(=CC=C1)C(=O)OC 1 0.132 3 5 0 -16.4439958930632 3121386 C1=CN=CC=C1CNC(=O)C(=O)NCC2=CC=NC=C2 1 -0.407 4 2 0 -7.5660025811963 3121383 CC1=CC=C(C=C1)C=NN2C(N(CC2=O)C(C)C)C3=CC=C(C=C3)C 1 4.531 3 1 -5.36133079404669 3121381 C1CCN(CC1)C(=O)C(=O)NNC(=O)C2=CC=C(C=C2)F 1 0.889 3 3 0 -10.0709570531177 3121380 C1CCN(CC1)C(=O)C(=O)NNC(=O)C2=CC=CC=C2 1 0.684 3 3 0 -11.5784816460923 3121374 CC(C)NC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC 1 2.3 2 4 -21.2057915288088 3121369 C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)NNC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.341 7 3 0 -4.52171988487688 3121368 C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)NNC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 0.794 7 5 0 -6.46527452175773 3121367 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC2=NC(=NC(=C2)N3CCCCC3)N4CCCCC4 1 4.759 6 1 0 -0.203656462576425 3121345 COC1=C(C=C(C=C1)N2C(=O)C3CCCCC3C2=O)NC(=O)C4=CC=CC=C4 1 3.224 2 4 -10.4037935839453 3121341 C1CCC2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC=C4 1 3.59 1 5 -11.3257340727983 3121332 CC1=CC(=C(C=C1)C)C(=O)COC(=O)CN2C(=O)C3C4CCC(C4)C3C2=O 1 2.49 1 5 -11.2874811846156 3121330 CC1=CC(=C(C=C1)C)C(=O)COC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4 1 2.045 1 5 -6.8455147847182 3121314 COC1=CC=C(C=C1)C(=O)COC(=O)C(CCCCN2C(=O)C3C4CC(C3C2=O)C=C4)N5C(=O)C6C7CC(C6C5=O)C=C7 1 2.22 2 8 0 -15.1105943036841 3121313 COC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)C3C4CC(C3C2=O)C(C4Br)Br 1 2.379 1 6 0 -16.2805799247719 3121310 COC1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)C3C4CCC(C4)C3C2=O 1 1.501 1 6 0 -14.0590102588207 3121283 C1C(=O)NC(S1)C2=CC=CC=C2Cl 1 2.121 1 1 -8.46776596355314 3121279 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=O)C2=CC=NC=C2 1 0.615 4 4 0 -8.7036855468148 3121269 C1CC2CC1CC2C(=O)NC3=NC=CS3 1 1.749 2 1 0 -1.78236144466209 3121259 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-] 1 2.388 4 6 0 -17.9016750047721 3121258 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CN=CC=C5 1 1.64 4 3 0 -8.25025565542235 3121257 CC(C)(C)C(=O)N1CCN(CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.672 3 3 -7.9671429347111 3121251 CC1=CC=C(C=C1)N/C=C(/C(=O)C2=CC=CS2)\C(=O)C(F)(F)F 1 4.261 1 2 -3.37972722309524 3121245 CC1=C[N+](=CC=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)[O-] 1 1.878 1 3 0 -2.8287543711956 3121220 C1CCC2=C(C1)C3=C(C=C(C=C3)OC4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])OC2=O 1 5.624 2 7 0 -2.31307528162716 3121201 CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.695 2 7 0 -4.27463029536086 3121129 CC(C)NC1=NC(=NC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])OC 1 2.362 6 3 0 -10.7177268948743 3121128 CCCCCCCCNC1=NC(=NC(=N1)NCC2=CC=CO2)Cl 1 4.434 5 1 -3.71483456439562 3121126 CCOC1=NC(=NC(=N1)NCC=C)NCC2=CC=CC=C2 1 2.714 5 1 -6.40903679039072 3121124 CC(C)(CO)NC1=NC(=NC(=N1)NCC=C)OC 1 0.824 5 2 0 -11.9126773629301 3121122 CC(C)C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)Cl 1 4.284 4 0 0.189266564394748 3121107 C=CCNC(=S)NNC1=NC(=NC(=N1)NC2=CC=CC=C2)N3CCCCC3 1 3.215 8 0 0 -8.3711458579506 3121105 C1=CC=C(C(=C1)C2C3=C(N=CNC3=O)OC4=C2C(=O)NC=N4)[N+](=O)[O-] 1 0.684 5 5 0 -8.67573231342781 3121104 C1=CC(=CC=C1C(C2=C(N=CNC2=O)O)C3=C(N=CNC3=O)O)[N+](=O)[O-] 1 0.47 5 6 0 -8.34582423903159 3121103 COC1=CC=C(C=C1)C(C2=C(N=CNC2=O)O)C3=C(N=CNC3=O)O 1 0.559 4 5 0 -6.6643926608185 3121094 CCCCOC1=CC=C(C=C1)NC2=C(C(=CC(=N2)C)C)C#N 1 4.728 3 1 -4.54871656568775 3121055 CCC(=O)N(CCC1=CC=C(C=C1)S(=O)(=O)N)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC 1 1.536 3 6 0 -11.6202826181935 3121054 CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=C(C=C3)S(=O)(=O)N)C(=O)C 1 3.11 3 6 0 -10.8736176470883 3121023 CCC(=O)N(CC1=CC=CO1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OCC 1 2.04 2 5 0 -9.0835442954556 3121021 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3=CC=CO3)C(=O)C 1 1.897 2 5 0 -7.06179371357025 3121020 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3=CC=CO3)C(=O)C 1 1.373 2 5 0 -7.51678249758347 3121016 C1C(C(=O)N(C1=O)C2=CC=CC=C2)NCC#N 1 0.21 3 2 0 -8.60332414498697 3121015 CCCCCCN1C(C(=C(C1=O)O)C(=O)C)C2=CC=CC=C2[N+](=O)[O-] 1 2.847 2 5 0 -20.4247306042655 3121009 CCOC(=O)NC(CC(=O)O)C1=CC(=C(C=C1)OC)OC 1 1.674 1 6 0 -12.9676758669413 3121001 CC(=O)NC(CC(=O)O)C1=CC=C(C=C1)F 1 0.921 1 3 0 -7.77574702527089 3121000 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=CC=C(C=C2)F 1 2.774 1 4 -12.1220044052718 3120999 COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=CO2 1 1.758 1 5 0 -8.96846519552073 3120990 CCOC(=O)C1=C(OC2=C(C1C3=CC=CS3)C(=O)CC(C2)(C)C)N 1 2.378 1 4 -23.1403016891886 3120976 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3[N+](=O)[O-])C(=O)C1)C 1 2.205 3 4 0 -19.0463612070647 3120949 CC1C(=C(NC(=C1C(=O)C)C)SCC(=O)N)C#N 1 0.301 3 2 0 -26.6154807353249 3120913 CCOC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC)O 1 2.484 2 3 -12.377848714029 3120906 CC(C)C1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC 1 2.947 2 3 -20.8360187909727 3120900 CC1=CC=C(O1)C2CC(=O)NC(=C2C#N)SCC(=O)OC 1 1.082 2 4 0 -23.4350994284834 3120898 COC1=CC(=C(C=C1)OC)C2CC(=O)NC(=C2C#N)SC 1 2.012 2 3 -12.2931102282583 3120891 COC1=CC=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC 1 1.736 2 4 0 -19.4137805590283 3120834 COC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)F)C#N 1 1.958 2 3 0 -20.4076014621591 3120831 CCSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)F)C#N 1 2.6 2 1 -12.7916552912442 3120826 CC(C)C1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SC 1 3.239 2 1 -10.5892725537883 3120812 C1C(C(=C(NC1=O)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=C(C=C3)O 1 2.44 3 3 -18.5993934591927 3120801 CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=CC=C2OC)C#N 1 2.085 2 4 -23.331178357272 3120798 CCSC1=C(C(CC(=O)N1)C2=CC=CC=C2OC)C#N 1 2.378 2 2 -14.9633409969249 3120794 CCOC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC 1 2.085 2 4 -22.2276248998415 3120784 CC(C)CC1C(=C(OC2=C1C(=O)OC3=CC=CC=C32)N)C#N 1 2.728 2 3 -12.5518985552667 3120754 CCCCCCC1C(=C(OC2=C1C(=O)CC(C2)(C)C)N)C#N 1 3.559 2 2 -18.0239709076494 3120642 C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=CC=C5 1 6.055 2 3 -4.90808791222234 3120640 C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4 1 6.055 2 3 -5.36262035759971 3120539 COC1=C(C=C(C=C1)CC(=O)NC2=NC=C(S2)[N+](=O)[O-])OC 1 1.632 3 5 0 -7.24466984449986 3120537 CCOC1=C(C=C(C=C1)C(=O)NCC2CCCO2)OCC 1 2.061 1 4 -17.700603389445 3120536 C1=CC(=C(C(=C1)Cl)C(=O)NC2=CC=NC=C2)Cl 1 2.792 2 1 -5.16341821817448 3120528 CC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC2 1 0.825 2 2 0 -8.65449099540106 3120512 CC1(C2(C=CC3=C(O2)C=CC(=C3)Br)N(C(=O)O1)C4=CC=CC=C4)C 1 4.98 1 3 -3.733568159692 3120507 CC1=C(SC(=N1)N)C2=CSC(=N2)NC3=CC=CC=C3OC 1 2.495 4 1 11.3412701572708 3120504 C1=CC(=CN=C1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.241 4 2 0 0.178057524133148 3120489 C1COCCN1CCCNC(=O)C(=O)NCCC2=CC=CC=C2 1 0.521 3 3 0 -11.5572948431094 3120471 CCCCCCNC(=O)C(=O)NCCC1=CC=C(C=C1)Cl 1 3.538 2 2 -9.08132745563967 3120453 CCC1=CC=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4 1 3.085 1 2 0.967151798365981 3120452 CCOC1=CC(=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4)[N+](=O)[O-] 1 2.37 2 5 0 -3.35802371174575e-002 3120451 C1CC2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.037 2 4 -0.887807853212165 3120450 C1CC2C=CC1C3C2C(=O)N(C3=O)C4=C(C=C(C=C4)Cl)Cl 1 3.472 1 2 4.20841835788379 3120446 CC1=CC=CC=C1N2C(=O)C3C4CCC(C3C2=O)C=C4 1 2.629 1 2 4.28288961586852e-002 3120445 CC1=CC(=C(C=C1)C)N2C(=O)C3C4CCC(C3C2=O)C=C4 1 3.115 1 2 0.871328649138657 3120444 CC(C)COC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)C)OC 1 2.87 2 3 -7.85551730652651 3120430 CCN1C2=C(C=CC1=C(C#N)C#N)C=C(C=C2)C 1 2.931 3 0 0.373559335322437 3120415 CC(C)C(C(=O)O)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N 1 5.913 2 2 -8.75841317590577 3120414 C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=NN=C(O3)C4=CC=CC=C4)C5=CC=CC=C5 1 6.18 4 1 -9.9481447479601 3120394 CC(C)CC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 3.215 3 1 -11.9572934789814 3120384 C1C2C(C(C1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=CC=CC(=C4NC2C5=CC(=CC=C5)[N+](=O)[O-])C(=O)O 1 5.654 3 6 0 -9.62001357130381 3120359 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)CC3=CC=C(C=C3)OC 1 3.41 1 3 -1.92155278829703 3120301 CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC=C(C=C3)C 1 4.253 2 2 -1.81095699393026 3120299 CCC1C(=O)N=C(S1)NC2=CC=CC(=C2)C 1 3.376 2 1 -3.75235348609701 3120276 CC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=NC=C6 1 2.855 2 2 -3.27377533085925 3120249 CC(C(=O)NNC(=O)C(=O)N1CCCC1)OC2=C(C=C(C=C2)Cl)Cl 1 1.876 3 4 0 -10.5999040467055 3120237 CC(C(=O)NNC(=O)C(=O)NC1=CC=C(C=C1)OC)OC2=C(C=C(C=C2)Cl)Cl 1 2.769 3 5 0 -8.80825333914545 3120233 CC(C(=O)NNC(=O)C(=O)N1CCCCC1)OC2=C(C=C(C=C2)Cl)Cl 1 2.332 3 4 0 -10.9543725608736 3120217 CC(C(=O)NNC(=O)C1=CC=NC=C1)OC2=C(C=C(C=C2)Cl)Cl 1 2.369 3 3 -7.33951717965308 3120175 C1C2CC3CC1CC(C2)(C3)C(=O)NN4C=NN=C4 1 1.124 4 1 0 -5.15085793781221 3120172 C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.657 3 4 0 -9.11300757369238 3120171 C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=CC=C4[N+](=O)[O-] 1 2.657 3 4 0 -10.6756119092029 3120170 COC1=CC=CC=C1C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3 1 2.746 2 3 -8.58621925471835 3120168 CC1=CC=CC(=C1O)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3 1 3.006 2 3 -3.7205120360335 3120164 CC1=CC=CC=C1C(=O)NNC(=O)C(=O)N2CCCCC2 1 1.17 3 3 0 -14.555002061137 3120149 C1CC2C(C2(Cl)Cl)CCC3C1C3C(=O)NC4=CC=CC=C4Cl 1 4.242 1 1 -3.94075020767855 3120148 C1=CC=C(C=C1)C2C(C2(Cl)Cl)C(=O)NC3=NC=C(C=C3)Cl 1 3.479 2 1 1.88825585866248 3120131 CC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CN=CC=C6 1 2.855 2 2 -5.36558825555407 3120123 CC(C1=CC=CC=C1)NC(=O)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.632 2 3 -13.9066246307239 3120121 COC1=C(C=C(C=C1)CCNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C)OC 1 1.878 2 5 0 -20.344502973619 3120116 CC1=CC(=CC(=C1)CSCC(=O)NCCOC)C 1 2.28 1 2 -15.7815212057415 3120109 CCOC1=CC=C(C=C1)N(CC(=O)NCC2CCCO2)S(=O)(=O)C3=CC=C(C=C3)SC 1 2.816 2 5 0 -19.8708195319366 3120101 CCCOC1=CC=C(C=C1)C=NNC(=O)CN(C2=CC=C(C=C2)OCC)S(=O)(=O)C 1 2.84 3 5 0 -13.9879405500481 3120093 CCOC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CC=C2Cl)S(=O)(=O)C 1 3.2 2 4 -19.5411079105112 3120050 CCCCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C 1 4.274 4 3 0 -12.5303123582712 3119974 CCCCCSC1=NC2=C(N1CC)C(=O)NC(=O)N2C 1 2.911 4 2 -10.4348980118298 3119963 CC(CSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C)O 1 1.737 4 5 0 -6.95896941055313 3119962 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CC(COC3=CC=CC=C3)O 1 1.359 4 5 0 -7.600147966244 3119956 C1CN(CCN1CCOCCO)C(=S)NC2=CC=CC=C2 1 2.335 3 2 -9.0045492367365 3119951 C1CC(CN(C1)C(=S)NC2=CC=CC=C2)C(=O)N 1 2.657 3 1 -9.56911113603117 3119939 C1CC2=C(C1)SC3=C2C(=O)N(C=N3)N 1 0.972 3 1 0 -13.9795420636874 3119825 C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)Br)C(=O)N(C4=O)C6=CC=CC=C6C(=O)O 1 3.967 1 4 -6.18077422450463 3119684 CCOC1=CC=CC=C1C(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 4.118 4 3 0 -12.8800620428273 3119640 CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N 1 3.271 3 1 -11.8573458556421 3119636 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.593 2 6 0 -14.0836383356101 3119630 C1CC2CN3CC4CCCC4C5=C3C(=CC(=C5)NC(=O)C6=CC=CC=C6)C2C1 1 5.15 2 1 -6.74303062763032 3119624 CC1=CC=C(C=C1)N2C(=O)C3CC(=C4C5C=CC(C4C3C2=O)C6C5C(=O)N(C6=O)C7=CC=C(C=C7)C)C8=CC=CC=C8 1 5.107 2 4 -0.910765929771887 3119619 CC(=O)N1C(CCN1C2=CC=CC=C2)NC3=CC=C(C=C3)Cl 1 3.78 3 1 -1.06565791605024 3119616 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] 1 2.434 2 5 0 -9.53254824632361 3119608 CC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.364 5 4 0 -9.01040019031498 3119592 C1COCCN1C2=NC(=NC(=N2)NN)NCC3=CC=CC=C3 1 0.296 7 1 0 -0.362313584568719 3119574 CCN(C1=NON=C1N)N=NC2=NON=C2N 1 0.411 9 2 0 -4.3106774295592 3119506 CCCCOC1=CC=C(C=C1)CNC(=O)NS(=O)(=O)C2=CC=C(C=C2)OCC 1 3.749 2 5 0 -9.77830455084857 3119502 C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)O 1 3.347 1 5 -13.7967684214945 3119491 CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C2CCC(=O)N2C(=O)OCC3=CC=CC=C3 1 2.71 4 6 0 -25.8023054271886 3119481 CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=NC=C2 1 4.336 1 3 -7.01266753318179 3119468 CC12CS(=O)(=O)CC1SC(=S)N2CC3=CC=CC=C3 1 3.285 1 2 -5.16059380149875 3119467 CN(C)C(=O)NC1CS(=O)(=O)C=C1 1 -1.044 2 3 0 -1.48468241970681 3119464 C1C2C=CC1C(C2C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O 1 3.111 1 3 -8.95545655627187 3119460 CC1(CC1(Br)Br)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3 1 4.581 1 1 -4.54349632043043 3119455 C1C2C=CC1C(C2C(=O)NNC(=O)C3=CC=CC=C3)C(=O)O 1 0.749 2 4 0 -7.70102696494754 3119448 CC1=C(C(=C(C=C1)S(=O)(=O)N)C)N2CCCC2=O 1 1.089 2 3 0 -11.7641621123655 3119447 CCCN(CCC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2=O)[N+](=O)[O-] 1 2.168 3 5 0 -19.8895297286996 3119445 CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.764 3 4 0 -6.57768293922786 3119444 CC(C1COC2=CC=CC=C2O1)NCC(COC3=CC=CC=C3)O 1 2.746 1 4 -4.11873157010147 3119442 COC1=CC(=CC(=C1)C=NCC2C3=CC=CC=C3CCO2)OC 1 3.373 1 3 -8.26239392595256 3119418 C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)Br)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)O 1 3.967 1 4 -6.0440017723367 3119416 CC1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)C3C4CC(C3C2=O)C(C4Br)Br 1 2.633 1 5 -12.4345855511474 3119413 CCCCCCC(=O)OC1=CC=CC(=C1)N2C(=O)C3CCCCC3C2=O 1 4.715 1 4 -11.9954114377238 3119402 CC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)C3C4CC(C3C2=O)C(C4Br)Br 1 2.881 1 5 -15.9386566642628 3119388 C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)CCC(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.29 2 7 0 -19.3845170255874 3119383 C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)CCC(=O)OCC(=O)C4=CC=CC=C4 1 2.395 1 5 -16.7343042317721 3119335 C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCC3 1 2.97 3 2 0.811544448545391 3119325 CC1CN(CC(O1)C)C(=S)SCCN2C(=O)CCC2=O 1 1.879 2 3 0 -16.198313313809 3119324 CC1CN(CC(O1)C)C(=S)SCCN2CC3=CC=CC=C3C2=O 1 3.463 2 2 -14.7228075362939 3119321 CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-] 1 3.028 6 3 0 -1.653136797243 3119320 CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC=CC=C3 1 2.492 1 5 -21.7119194453188 3119316 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Br)O 1 3.02 1 4 -16.8847861161602 3119289 CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 4.106 2 4 -8.23864168582075 3119288 CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)[N+](=O)[O-] 1 3.069 4 7 0 -7.16263325476323 3119286 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.583 4 7 0 -7.87585709943082 3119235 CC1=CC(=NN1CC(=O)N2C3=CC=CC=C3C4=CC=CC=C42)C 1 3.907 3 1 -6.12517706606738 3119208 CC1(CC(C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)(C)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C 1 5.213 3 5 0 -11.3383283846169 3119206 CC1(CC(C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)(C)C4=CC(=CC=C4)[N+](=O)[O-])C 1 5.318 2 3 -12.1250162623315 3119204 CC1(CC(C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)(C)C4=CC=C(C=C4)[N+](=O)[O-])C 1 5.318 2 3 -11.3922433345943 3119182 C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)NC(=O)C3=CC=CC=C3Br)NCC(=O)NN 1 3.623 4 2 -8.2155339856603 3119178 C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Br)N=C(N2CC(=O)NN)C4=CC=C(C=C4)Cl 1 4.221 4 1 -1.95521324588834 3119177 C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Br)N=C(N2CC(=O)NN)C4=CC=C(C=C4)Br 1 4.305 4 1 -4.60353087869271 3119153 CCOC1=C(C=CC(=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N)O 1 2.205 3 3 -2.69702510982542 3119100 COC1=CC(=C(C=C1)C=NNC(=O)CC(=O)NCC2=CN=CC=C2)OC 1 0.808 4 4 0 -12.1621026833534 3119099 COC1=CC=CC=C1C=NNC(=O)CC(=O)NCC2=CN=CC=C2 1 0.824 4 3 0 -12.7969556790126 3119098 CC1=CC=C(C=C1)C=NNC(=O)CC(=O)NCC2=CN=CC=C2 1 1.327 4 2 0 -12.6615908398377 3119097 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2Cl 1 2.723 2 3 -11.2147325461861 3119092 C1CN(C(CN1S(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=N3)S(=O)(=O)C4=CC=CC=C4 1 1.374 4 5 0 -25.1530100997952 3119050 CCC(C)NC(=O)CN(C1=CC=C(C=C1)OCC)S(=O)(=O)C 1 1.589 2 4 0 -19.7854496560934 3119038 CC(C)(C)NC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2 1 2.409 3 5 0 -20.9250510358723 3119020 C1C(N(N=C1C2=CC=CO2)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 4.782 2 1 1.39340644035867 3118982 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OC)OC)C4=C(NN(C4=O)C5=CC=CC=C5)C 1 3.341 4 4 0 -9.80518152819927 3118973 CC(C1=CC=CC=C1)NC2=C(C(=O)N(C(=O)N2)C)N=O 1 1.318 4 3 0 -5.32390448422488 3118972 CN1C(=O)C(=C(NC1=O)NC2CCCCC2)N=O 1 1.215 4 3 0 -5.88051765171275 3118971 CCC1(N=C2C(=NO1)C(=O)N(C(=O)N2C)C)C 1 0.144 4 3 0 -6.23347320916443 3118970 CN1C(=C(C(=O)N(C1=O)C)N=O)NC2CCCCC2 1 1.421 4 3 0 -9.55681839550405 3118907 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=NC3=CC(=C(C=C3)N)OC 1 2.529 5 2 0 -5.65657442496765 3118906 CC1=C(C=CC(=C1)N)N=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 3.031 5 1 -4.68560224867402 3118903 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=NC3=CC=C(C=C3)N(C)C 1 3.454 5 1 -7.4472733171378 3118893 C1=CC=C(C(=C1)C(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)F 1 3.322 3 3 -10.0668889432162 3118892 C1=CC(=CC=C1C(=O)NCCNC(=O)C2=NON=C2N)Cl 1 0.584 5 3 0 -13.1388508534132 3118878 C1C(CN(C1=O)C2=CC=C(C=C2)Br)C(=O)NC3=C(C=CC(=C3)Cl)Cl 1 3.963 2 2 -1.65701658548115 3118869 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCOCCO 1 -5.1e-002 2 4 0 -6.12611582147934 3118858 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCNC(=O)C(=O)NC3=CC=C(C=C3)OC 1 1.794 4 4 0 -13.0214959810978 3118791 CC1=CC(=C(C=C1)S(=O)(=O)NNC2=CC=CC=C2)C 1 3.312 2 2 -1.14231575804351 3118740 CN(C)C1=CC=C(C=C1)C(=O)NCC2CCCO2 1 1.559 2 2 0 -14.1296100869798 3118713 COC1=CC=CC(=C1)C(=O)NCCN2CCOCC2 1 0.848 2 3 0 -10.1582238498826 3118655 CCCNC(=O)C1=CC(=CC=C1)Br 1 2.659 1 1 -8.1498669627845 3118659 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.326 4 5 0 -4.00065367934723 3118688 CCOC(=O)CNC(=O)C1=CC(=CC(=C1)OC)OC 1 1.061 1 5 0 -14.4665874841818 3118680 CCCNC(=O)C1=C(C=C(C=C1)OC)OC 1 1.877 1 3 0 -9.1548579441586 3118640 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OC)OC 1 1.296 4 7 0 -27.4491479144384 3118522 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.278 4 5 0 -5.49961046309073 3118515 C1C2C=CC1C3C2C(=O)N(C3=O)NC4=C(C=C(C=C4Cl)Cl)Cl 1 3.702 2 2 3.11015049389381 3118470 CC1=CC=CC=C1OCC(=O)NNC=O 1 0.449 2 3 0 -4.9830472308218 3118449 CC1=CC=C(C=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N 1 2.601 3 1 -2.05917490574617 3118444 C1=CC(=CC(=C1)F)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N 1 2.32 3 1 -2.31522404339946 3118393 C1CC(OC1)CNC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC3=CC=CC=C32 1 3.705 2 2 -13.9707872650097 3118322 CC1=C(C(NC(=O)N1)C2=C(N=C3C=CC=CN3C2=O)Cl)C(=O)OCCOC 1 -0.159 4 5 0 -37.2958752408397 3118316 C1CC(OC1)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl 1 3.878 1 2 -4.99490524337435 3118270 CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC1=CC=CC2=C1N=CC=C2 1 3.944 3 1 -17.6031003832802 3118258 CCCC(=O)NC(C(Cl)(Cl)Cl)OC1=CC=C(C=C1)C(=O)C 1 3.666 1 3 -18.2331893938654 3118199 CC[N+]1=C(C=CC2=C1C=C(C=C2)C)S(=O)(=O)[O-] 1 0.681 1 3 0 3.41290088831924 3118177 CCN1C=C(C2=CC=CC=C21)C=C3C(=O)N(C(=O)N(C3=O)C)C 1 2.124 3 3 -6.18906690661879 3118110 CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3OC)C(=O)CCC2)N 1 2.161 1 5 -22.4653555400738 3118074 CC1=CC=C(C=C1)CNC(=O)C(=O)NCCCN2C=CN=C2 1 0.601 4 2 0 -8.66634462826921 3118068 CCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)[N+](=O)[O-] 1 0.998 3 4 0 -11.6210466793124 3118067 CCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-] 1 0.587 3 4 0 -10.1868294917202 3118023 CC(C(=O)OCC(=O)C1=CC(=CC=C1)[N+](=O)[O-])N2C(=O)C3C4CC(C3C2=O)C=C4 1 1.452 2 7 0 -13.8317818628694 3118022 CC(C(=O)OCC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3C4CC(C3C2=O)C=C4 1 1.452 2 7 0 -12.4803192889021 3118020 CC(C(=O)OCC(=O)C1=CC(=CC=C1)[N+](=O)[O-])N2C(=O)C3C4CCC(C4)C3C2=O 1 1.896 2 7 0 -18.2737482627669 3118019 CC(C(=O)OCC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3C4CCC(C4)C3C2=O 1 1.896 2 7 0 -16.9222856887995 3118018 CC(C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3C4CCC(C4)C3C2=O 1 2.002 1 5 -15.6235354689516 3118009 C1CC2CC1C3C2C(=O)N(C3=O)CC(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 1.412 2 7 0 -17.1629473596363 3118003 C1CC2CC1C3C2C(=O)N(C3=O)C4=CC5=CC=CC=C5C=C4 1 3.04 1 2 -0.623936493501254 3117981 C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=CC=C4C(=O)OCC(=O)C5=CC=CC=C5 1 3.243 1 5 -12.8068296346101 3117896 CC(=NNC1=NC(=NC(=N1)NC2=CC=CC=C2)N3CCOCC3)C4=CC=C(C=C4)NC(=O)C 1 1.734 8 2 0 -9.12713054032977 3117884 CN1C=C(C(=N1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)Br 1 2.298 5 3 0 -12.5222496832166 3117879 CN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N 1 4.876 5 1 -22.2808732640655 3117871 COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)F 1 3.22 5 4 0 -16.1413118494874 3117870 COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F 1 3.22 5 4 0 -18.0707197383656 3117844 CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)C(=C(C)C)S2)C 1 4.029 3 3 -27.9901316979429 3117813 CC1=CC(=C(C=C1)N(CC(=O)NCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4)C 1 5.371 3 3 -19.1778142180013 3117810 C1=CC=NC(=C1)SCCNC(=O)C2=CC=C(C=C2)Cl 1 3.281 2 1 -8.60656569757814 3117801 CC1=CC(=CC=C1)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 3.648 3 3 -20.8978967354592 3117782 CN(C)C1=CC=C(C=C1)C=NNC(=O)C(=O)N2CCCCCC2 1 2.114 4 2 -12.5118045154621 3117781 COC1=C(C=CC(=C1)C=NNC(=O)C(=O)N2CCCCCC2)OCC=C 1 2.536 3 4 0 -19.2030626273588 3117780 C1CCCN(CC1)C(=O)C(=O)NN=CC2=CC=CC=C2F 1 2.157 3 2 -8.57548513874586 3117779 C1CCCN(CC1)C(=O)C(=O)NN=CC2=CC=C(C=C2)Cl 1 2.616 3 2 -8.02851944626262 3117763 C1=CC=C(C=C1)CCNC(=O)C(=O)NN=CC2=CC=CC=C2C(F)(F)F 1 3.22 3 2 -8.99564668675305 3117762 COCCNC(=O)C(=O)NN=CC1=CC=CC=C1C(F)(F)F 1 1.184 3 3 0 -11.8200837890243 3117753 CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=NC=C2 1 1.069 3 3 0 -10.8582368728057 3117751 COC1=CC=CC(=C1)NC(=O)C(=O)NCC2=CC=NC=C2 1 0.72 3 3 0 -9.73530832641006 3117747 CC1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=NC=C2 1 1.223 3 2 0 -9.67904751195358 3117745 CC(C)(C)NC(=O)C(=O)NCC1=CC=NC=C1 1 9.1e-002 3 2 0 -13.9970756014643 3117743 C1=CC=NC(=C1)C=NNC(=O)C(=O)NCC2=CC=NC=C2 1 8.3e-002 5 2 0 -7.93810685869958 3117742 C1=CC(=CN=C1)C=NNC(=O)C(=O)NCC2=CC=NC=C2 1 -0.345 5 2 0 -9.36232877983811 3117740 C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=O)C(=O)NCC3=CC=NC=C3 1 2.373 4 3 0 -10.4682390148091 3117739 C1=CC=C(C=C1)COC2=CC=CC=C2C=NNC(=O)C(=O)NCC3=CC=NC=C3 1 2.373 4 3 0 -9.17689964734689 3117731 CCNC(=O)C(=O)NCC1=CC=NC=C1 1 -0.491 3 2 0 -9.12622098533284 3117725 CC(C)(C)OC(=O)NNC(=O)C1=CC=C(C=C1)OC 1 1.765 2 4 0 -9.29899846709475 3117719 COC1=CC=C(C=C1)C(=O)NNC(=O)C(=O)NC2CCCCC2 1 1.403 3 4 0 -11.008323785882 3117718 COC1=CC=CC=C1C(=O)NNC(=O)C(=O)NC2CCCCC2 1 1.403 3 4 0 -13.4988344341984 3117717 COC1=CC=CC=C1C(=O)NNC(=O)C(=O)NCC2=CC=CC=C2 1 1.128 3 4 0 -14.4722990410094 3117710 CC(C)NC(=O)C(=O)NNC(=O)C1=CC=CC=C1OC 1 0.271 3 4 0 -16.4801833261006 3117709 COC1=CC=C(C=C1)C(=O)NNC(=O)C(=O)NC2=CC=CC3=CC=CC=C32 1 2.029 3 4 0 -9.45744948574294 3117708 COC1=CC=CC(=C1)C(=O)NNC(=O)C(=O)NC2=CC=CC3=CC=CC=C32 1 2.029 3 4 0 -10.4290485701833 3117702 COC1=CC(=C(C=C1)NC(=O)C(=O)NNC(=O)C2=CC(=CC=C2)OC)OC 1 1.088 3 6 0 -14.0381394307653 3117695 CC1=C(C=C(C=C1)NC(=O)C(=O)NNC(=O)C2=CC=C(C=C2)OC)Cl 1 2.272 3 4 0 -8.27590195158114 3117694 CC1=C(C=C(C=C1)NC(=O)C(=O)NNC(=O)C2=CC(=CC=C2)OC)Cl 1 2.272 3 4 0 -8.96357180606374 3117693 CC1=C(C=C(C=C1)NC(=O)C(=O)NNC(=O)C2=CC=CC=C2OC)Cl 1 2.272 3 4 0 -10.7664125998976 3117691 CC1=C(C=CC=C1Cl)NC(=O)C(=O)NNC(=O)C2=CC(=CC=C2)OC 1 2.272 3 4 0 -8.19676179994345 3117690 CC1=C(C=CC=C1Cl)NC(=O)C(=O)NNC(=O)C2=CC=CC=C2OC 1 2.272 3 4 0 -9.81306759034432 3117689 CCC1=CC=C(C=C1)NC(=O)C(=O)NNC(=O)C2=CC=C(C=C2)OC 1 2.063 3 4 0 -8.94719594126895 3117688 CCC1=CC=C(C=C1)NC(=O)C(=O)NNC(=O)C2=CC(=CC=C2)OC 1 2.063 3 4 0 -9.49502789152991 3117687 CC1=CC=C(C=C1)NC(=O)C(=O)NNC(=O)C2=CC=C(C=C2)OC 1 1.607 3 4 0 -8.70775780548986 3117686 CC1=CC=C(C=C1)NC(=O)C(=O)NNC(=O)C2=CC(=CC=C2)OC 1 1.607 3 4 0 -9.25558975575083 3117685 CC1=CC=C(C=C1)NC(=O)C(=O)NNC(=O)C2=CC=CC=C2OC 1 1.607 3 4 0 -11.1982684538063 3117675 COC1=CC=CC(=C1)C(=O)NNC(=O)C(=O)N2CCCCC2 1 0.668 3 4 0 -11.7436322379881 3117666 COCC(=O)NNC(=O)C1=CC=CC=C1OC 1 -7.3e-002 2 4 0 -12.3751493325434 3117665 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.749 3 5 0 -11.3259905648805 3117664 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.749 3 5 0 -11.2689122257608 3117659 CC1=NC(=O)C(N1C2=CC=CC=C2)N=NC3=CC=CC4=CC=CC=C43 1 4.655 4 1 -0.146238628473152 3117657 CC1=NC(=O)C(N1C2=CC=CC=C2)N=NC3=CC(=CC=C3)O 1 3.504 4 2 1.53807202415098 3117655 CC1=NC(=O)C(N1C2=CC=CC=C2)N=NC3=CC=CC=C3C(=O)O 1 3.376 4 3 0 -4.91589858788748 3117639 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)CN4C5=CC=CC=C5C(=O)C4=O 1 4.5 3 3 5.55682110611566 3117634 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)CC3=CC=CC=C3OC 1 3.257 1 4 -5.33537015517006 3117633 CC1C(C(=O)N(C1=O)C2=CC=C(C=C2)OC)CC3=CC=C(C=C3)C 1 3.873 1 3 0.95865966144782 3117632 CC1C(C(=O)N(C1=O)C2=CC=CC=C2)CC3=CC=C(C=C3)C 1 3.889 1 2 1.11032267544973 3117631 CC1=CC(=C(C=C1)C)N2C(=O)CC(C2=O)CC3=CC=C(C=C3)Br 1 4.661 1 2 -2.64043530196384 3117627 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)CC3=CC=CC(=C3)C 1 3.913 1 2 -2.09465755646626 3117626 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)CC3=CC=C(C=C3)Br 1 4.021 1 3 -2.32243699451967 3117624 CC(=NNC1=NC(=NC(=N1)NC2=CC=CC=C2)N3CCOCC3)C4=CC=CS4 1 2.567 7 1 0 -7.13425802769191 3117595 CC1=CN(C(=C1C=NNC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)C)C5=CC=CC=C5 1 2.458 8 2 0 -1.39461879131195 3117562 CCOC(=O)C1=C(OC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)N 1 1.946 1 6 0 -23.6839548822659 3117538 CCCCCC(=O)NNC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] 1 2.172 3 4 0 -12.6318295269741 3117519 CC1=CC=C(C=C1)CNC(=O)C(=O)NCCC2=CCCCC2 1 3.125 2 2 -12.6719808675494 3117460 CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)O)C3=CC=CC=C3 1 3.209 4 2 6.2293198038683 3117452 CC1=[N+](C=CC2=CC=CC=C12)CCCS(=O)(=O)[O-] 1 -0.29 1 3 0 -3.03460877879188 3117448 CC1=CC=CC=C1N=NC2C(=O)N=C(N2C3=CC=CC=C3)C 1 4.233 4 1 -1.36539746845822 3117447 CC1=NC(=O)C(N1C2=CC=CC=C2)N=NC3=CC=CC=C3 1 3.746 4 1 -1.43835510347031 3117364 C1=CC=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2)O 1 2.206 2 2 -0.325523761017349 3117363 C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC(=CC=C3)Cl 1 3.113 2 1 -0.663727836697567 3117357 C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=C(C=C3)Br 1 3.197 2 1 -1.77778589862052 3117264 CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3)C)[N+](=O)[O-] 1 4.112 3 5 0 -14.6131621924184 3117169 CCCCCCCCNC1=NC(=NC(=N1)Cl)NCCN2CCOCC2 1 3.495 6 1 0 -5.53565553315236 3117166 C1CN(CCN1CC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O)C5=CC=CC=N5 1 5.503 4 1 10.765287205887 3117152 CC1CC2=C(S1)C3=CC=CC=C3N=C2C 1 3.292 1 0 -1.0946259545145 3117115 CN1C2=C(C(=O)NC1=O)N3CC(CN(C3=N2)C4=CC(=CC=C4)OC)O 1 0.646 5 4 0 -3.95360232626599 3117097 CCCCCSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C 1 4.467 4 2 -13.262816333338 3117079 CC1=C(C(=O)N(N1)C2=NC=C(S2)C3=CC=C(C=C3)Cl)C(C4=CC=C(C=C4)Cl)C(C#N)C#N 1 4.617 5 1 -1.86203674304919 3117077 CC1=C(C(=O)N(N1)C2=NC=C(S2)C3=CC=CC=C3)C(C4=CC=C(C=C4)Br)C(C#N)C#N 1 4.037 5 1 -2.96689396224827 3117076 CC1=C(C(=O)N(N1)C2=NC=C(S2)C3=CC=CC=C3)C(C4=CC=C(C=C4)Cl)C(C#N)C#N 1 3.953 5 1 -1.51023421714683 3117072 CC1=C(C(=O)N(N1)C(=S)N)C(C2=CC=CC=C2)C(C#N)C#N 1 1.347 5 1 0 -8.86793229558474 3117014 COC1=C(C=C(C=C1)C=NN2C(=O)C3C4CC(C3C2=O)C=C4)[N+](=O)[O-] 1 1.633 3 5 0 -3.13817175097095 3117011 COC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=NN3C(=O)C4C5C=CC(C4C3=O)C6C5C6 1 2.948 2 5 0 -5.69740483845091 3116961 C1C(CN(C1=O)C2=CC=C(C=C2)Br)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.963 2 2 -2.5795332602438 3116930 CCCCN1C=C(C(=C1NC(=O)C)C#N)C(C)(C)C 1 2.982 3 1 -10.9347630525249 3116865 CC1=CC=C(O1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O 1 2.393 2 4 -10.5635998943014 3116863 CC1=C(C=CO1)C(=O)NC(CCSC)C(=O)O 1 0.58 1 4 0 -17.1298827851676 3116857 C=CCNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)Br 1 1.674 2 2 0 -14.0910133476162 3116854 CC(CNC(=O)C1=CC=CC=C1Cl)C2=CC=CC=C2 1 3.926 1 1 -8.68771324997482 3116851 CCCCC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.073 5 5 0 -15.5260681260155 3116809 C1=CC=C2C(=C1)N=CN2CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.082 4 3 0 -10.4563012027165 3116838 C1=CC(=CN=C1)C(=O)NNC2C(C(C(C(O2)CO)O)O)O 1 -2.76 3 6 0 -16.5745286004067 3116837 C1=CC(=CC(=C1)Br)C(=O)NNC2C(C(C(C(O2)CO)O)O)O 1 -0.861 2 6 0 -14.1494974756889 3116836 COC1=CC=CC(=C1)C(=O)NNC2C(C(C(O2)CO)O)O 1 -1.115 2 6 0 -14.4907675691911 3116827 CN(C)C1=C(C=C(C(=C1)OC)C(=O)N2CCOCC2)[N+](=O)[O-] 1 0.971 3 5 0 -11.5517420998472 3116792 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O 1 2.955 4 6 0 -7.36802048066945 3116791 C1=CC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 3.197 4 5 0 -12.0434143522967 3116773 CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53)C 1 5.518 4 2 -4.30178575000094 3116772 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=NNC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53 1 5.696 4 2 -2.29149046508032 3116740 CC1(C(C(S1(=O)=O)C=C)N2CCOCC2)C 1 0.681 1 3 0 -5.05616439440284 3116657 C1=CSC(=C1)C(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.908 3 7 0 -23.1975705143078 3116656 C1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=CS2 1 1.954 1 4 0 -17.0422577715922 3116643 CC(=O)N(CN1C(=O)C2C3CC(C2C1=O)C=C3)C4=CC(=CC=C4)Cl 1 1.732 2 3 0 -2.19359856294449 3116640 C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)CC(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.042 2 7 0 -15.880445912472 3116629 CC1=CC(=CC=C1)NCN2C(=O)C3C4CC(C3C2=O)C=C4 1 2.036 2 2 -0.743862991740125 3116501 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 1.304 4 5 0 -16.6440570149448 3116497 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCCCC(=O)NNS(=O)(=O)C2=CC=C(C=C2)C 1 1.755 4 6 0 -12.1535893271355 3116472 CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-] 1 2.373 5 6 0 -2.43324279201164 3116468 C1C(SC(=N1)NC2=C(C=CC(=C2)Cl)Cl)CBr 1 4.398 2 0 0.687121715171165 3116461 CCCCN1C2=CC=CC=C2N=C1NCC3=CC4=C(C=C3)OCO4 1 4.109 3 2 -8.46447214775162 3116427 CC1=NC=C(N1)C23CC4CC(C2)CC(C4)C3 1 2.679 2 0 3.31081839304953 3116420 C1OC2=C(O1)C=C(C=C2)CCNCC3=CC=NC=C3 1 1.889 2 2 0 0.492849326702716 3116416 CC1=C(NN=C1C2=CC=CC=C2)C(=O)NN 1 1.508 4 1 0 1.01754223398024 3116411 CC1C(=NNC1=O)C(=O)NN=CC2=CC=CS2 1 0.755 4 2 0 -13.5772818284689 3116409 CC1C(=NNC1=O)C(=O)NN=CC2=CC=CO2 1 0.197 4 3 0 -12.577226773012 3116407 CC1C(=NNC1=O)C(=O)NN=CC2=CC=C(C=C2)OC 1 0.786 4 3 0 -12.6453583067897 3116406 CCCCCN1C(=C(C(=N1)C)C=NNC(=O)C2=C(OC(=C2)C)C)C 1 2.941 4 2 -11.3270178540138 3116402 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 0.589 4 6 0 -15.6534279669877 3116400 C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O 1 4.019 3 3 -3.315274857294 3116398 C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-])F 1 3.684 3 5 0 4.41840722799211 3116376 CC(=O)C1=CC2=C(C=C1)NC(C3C2C(C(C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C(=O)O 1 3.874 2 5 0 -8.74756572739562 3116370 CC(=O)C1=CC2=C(C=C1)NC(C3C2C(C(C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C5=CC=CC=C5 1 5.869 2 3 -4.94449167764598 3116246 C1=CC(=CC(=C1)Br)C(=O)NCC(=O)NN 1 0.148 3 2 0 -9.30733832267742 3116236 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-] 1 4.282 4 4 0 -3.92486129587222 3116196 CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)[N+](=O)[O-] 1 3.713 4 5 0 -6.68208056851812 3116189 CCOC(=O)C1=C(N=C(S1)N2C(=O)C(C(=N2)C)N=NC3=CC=CC(=C3)C)C 1 3.713 5 3 0 -2.20308654172824 3116175 C1CCC2=C(C1)C(=O)N(N2)C3=CC=CC=C3 1 2.067 2 1 -6.77070019918249 3116123 COC1=CC=CC=C1NC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N 1 1.93 5 2 0 -17.0073502289203 3116122 COC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N 1 1.93 5 2 0 -13.8886016905092 3116100 CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 3.314 3 5 0 -12.5473091937528 3116089 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.707 3 3 6.86236925955149 3116075 CC1(CC(=O)C(C(=O)C1)C=NOCC=C)C 1 1.122 1 3 0 -7.70715239693553 3116073 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)N2CCCC2 1 2.491 1 4 -11.3054347548986 3116071 CCCC1=NOC2=C1C(=NO)CC(C2)C3=CC=CC=C3 1 3.432 2 2 -4.0253598073115 3116068 CCSC(C)CC1CC(=O)CC(=O)C1 1 1.674 0 2 0 -4.13249713884263 3116061 CCOC(=O)C1C(CC(=O)C(C1=O)C(=O)C)CC(C)SCC 1 1.561 0 5 0 -10.426074966374 3116057 C/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/N 1 8.2e-002 1 4 0 -6.99944278160599 3116055 CC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NCC2=CC=CC=C2 1 2.621 1 4 -10.5828790492309 3116051 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC 1 1.494 1 4 0 -12.2241162304267 3116048 CC1(CC(=O)/C(=C\NOCC=C)/C(=O)C1C(=O)OC)C 1 0.392 1 5 0 -10.0684040292331 3116045 CC1(CC(=O)/C(=C\NC2CCCCC2)/C(=O)C1C(=O)OC)C 1 1.859 1 4 0 -4.94678068396705 3116044 CC1(CC(=O)/C(=C\NCC2=CC=CC=C2)/C(=O)C1C(=O)OC)C 1 1.584 1 4 0 -9.91045304341186 3116043 CC1(CC2=C(C=CC3=CC=CC=C23)C(=N1)NNC(=O)C4=CC(=C(C=C4)OC)OC)C 1 3.664 3 3 -5.3694818307131 3116004 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 2.427 2 3 -5.54037412798601 3115982 CCC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C 1 3.343 2 2 7.1420202167447 3115972 COC1=CC=CC=C1OCCN2C3=CC=CC=C3N=C2SCC(=O)N 1 3.104 3 3 -14.7275875107726 3115970 COC1=CC=CC=C1OCCN2C3=CC=CC=C3N=C2SCC(=O)O 1 3.732 2 4 -16.106161802838 3115963 CCCC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(N(C4=CC=CC=C4C3=O)C)O 1 3.128 4 4 0 -5.38920960186531 3115961 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.247 3 5 0 -4.3540362222351 3115949 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=C(N(C3=CC=CC=C3C2=O)C)O 1 2.494 3 4 0 -2.01832890367561 3115945 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNC(=O)C3=CC(=CC=C3)Cl 1 3.021 3 4 0 0.598217795995374 3115944 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNC(=O)C3=CC=CC=C3F 1 2.213 3 4 0 -4.84221444133439 3115931 CCCCCCCCCCC(=O)NNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CC)O 1 5.008 3 4 0 -8.71941460622974 3115928 CCCCCCCCCC(=O)NNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CC)O 1 4.552 3 4 0 -8.71941460622974 3115927 CCCCCCCC(=O)NNC(=O)C1=C(NC2=CC=CC=C2C1=O)O 1 2.938 3 4 0 -13.8364512640475 3115926 CC(C)C(=O)NNC(=O)C1=C(NC2=CC=CC=C2C1=O)O 1 1.119 3 4 0 -10.3887296122493 3115909 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.939 4 7 0 -13.4666766445566 3115893 C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.955 4 6 0 -9.3678926736482 3115891 C1=CC(=CC=C1C=NNC(=O)C2=CC=NC=C2)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.047 5 5 0 -12.0624846214371 3115871 CC1=CC=C(C=C1)C(=O)C2CCOC(C2)(C)C 1 2.995 0 2 -4.44455095689895 3115863 CC1(CC(CCO1)(CC=C)C=NO)C 1 1.762 1 2 0 -6.44042623535006 3115820 CC(=O)N(CCCCl)C(C#N)C1=CC=CC=C1 1 1.756 2 1 0 -5.96219999462913 3115817 C1CC(CC1NC2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O 1 3.674 1 2 -5.62256426140081 3115793 C1=CC=C(C=C1)C(C(C(=O)O)NS(=O)(=O)C2=CC=CC=C2)O 1 1.43 1 5 0 -17.5465741523312 3115791 CCNC(=S)NNC(=O)C1=CC=NC=C1 1 0.618 4 1 0 -9.91438224812952 3115785 CC1CC2(CCCC2)N(CC3=CC=CC=C13)C(=O)C4=CC=CC=C4 1 4.868 1 1 -5.32233868096078 3115681 CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)COC3=CC=CC=C3 1 3.603 2 3 -3.08296502898315 3115677 CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC=CC=C3Br 1 4.516 2 2 -1.54460314900426 3115676 CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC(=CC=C3)Br 1 4.516 2 2 -1.9708248298014 3115605 C1COCCN1CCS(=O)(=O)CCC(=O)NCNC(=O)CCS(=O)(=O)CCN2CCOCC2 1 -2.372 4 8 0 -12.1178646523385 3115602 C1=CC=C(C(=C1)CC2C(=O)N=C(S2)NC3=CC=CC=N3)Cl 1 3.975 3 1 -2.70744568446409 3115587 CC(C1=C(C=CC(=C1)OC)OC)NC=O 1 1.223 1 3 0 -3.26361955835069 3115534 CC(C)C(C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3C4CC(C3C2=O)C=C4 1 2.4 1 5 -10.4383300941908 3115533 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 0.968 2 7 0 -11.3695183857715 3115495 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3 1 2.9 2 3 -21.7916047748147 3115481 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-])C 1 3.957 2 5 0 -14.7088125775865 3115469 CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)N 1 4.643 1 1 -3.69339008255959 3115458 CC1=C(C2(C(=O)C3=CC=CC=C3C2(N1)O)O)C(=O)OCCOC 1 -5.7e-002 1 6 0 -13.4093997953096 3115457 CC1=C(C(NC(=O)N1C)C2=C(C=CC(=C2)OC)OC)C(=O)OCC3=CC=CC=C3 1 2.821 2 5 0 -18.6213764918188 3115452 CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2C(Cl)(Cl)Cl 1 2.918 1 3 -9.18057261523231 3115435 CC1=CC(=C(C=C1)OC)NC(=O)C(=O)NNC(=O)COC2=CC=C(C=C2)Cl 1 2.107 3 5 0 -10.6284004529767 3115428 C1=CSC(=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.383 3 4 0 -9.79535332638925 3115425 COC1=CC(=C(C=C1)OC)NC(=O)C(=O)NNC(=O)C2=CC=CS2 1 1.058 3 5 0 -12.7659948116208 3115424 COC1=CC=C(C=C1)NC(=O)C(=O)NNC(=O)C2=CC=CS2 1 1.074 3 4 0 -10.7443066701041 3115419 CC(C(=O)NNC(=O)C1=CC=CS1)OC2=CC=CC=C2 1 2.144 2 3 -10.1395070394595 3115415 CC1=CC=CC=C1C(=O)NNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.955 3 5 0 -15.4265965510666 3115394 COC1=CC=C(C=C1)C(=O)NNC(=O)CCCCC(=O)NNC(=O)C2=CC=C(C=C2)OC 1 1.343 4 6 0 -11.7235043548162 3115392 CCC(C(=NNC(=O)C1=CC(=CC=C1)C)C)C(=O)OCC 1 2.779 2 3 -10.4384937475744 3115391 CCC(C(=NNC(=O)C1=CC=CC=C1O)C)C(=O)OCC 1 2.051 2 4 -6.73659831771446 3115363 CC(C)OC(=O)NCCOC(=O)NC1=CC(=C(C=C1)Cl)Cl 1 3.484 2 4 -8.04304527487509 3115357 CCC(COC(=O)NC1=CC=CC=C1)NC(=O)OC(C)C 1 3.056 2 4 -9.19644963265525 3115353 CCCOC(=O)NC(CC)COC(=O)NC1=C(C=CC(=C1)C)C 1 4.175 2 4 -10.1026350354895 3115351 CCC(COC(=O)NCC)NC(=O)OCC(C)C 1 2.294 2 4 -12.0318713234686 3115348 CCCOC(=O)NC(CC)COC(=O)NC1=CC=CC(=C1C)C 1 4.175 2 4 -7.31773407988841 3115343 CC(CNC(=O)OC)OC(=O)NC1=CC=C(C=C1)Cl 1 2.471 2 4 -4.48660272950661 3115336 CC1=CC=C(C=C1)NC(=O)OC(C)CNC(=O)OC2=CC=CC(=C2)C 1 4.355 2 4 -4.29095174373286 3115334 CCCCNC(=O)OCCNC(=O)OC1=CC=CC(=C1)C 1 3.244 2 4 -10.3361976056324 3115332 CCN(C1=CC=C(C=C1)C(C(=O)OCC)(C(F)(F)F)O)S(=O)(=O)C2=CC=CC=C2 1 3.429 1 5 -11.6192964956216 3115330 CCN(C1=CC=C(C=C1)C(C(=O)OCC)(C(F)(F)F)O)C(=O)COC2=CC=CC=C2 1 3.561 1 5 -10.3669272436606 3115322 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2[N+](=O)[O-])NC(=O)C3=CC=CC=N3 1 3.538 4 4 0 -16.7994836125542 3115320 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=N3 1 3.538 4 4 0 -16.4783380392657 3115318 CC1=CC=C(C=C1)NC2(CCCCC2)C3=NN=NN3C4=C(C=CC=C4C)C 1 5.688 5 0 -8.4620572977051 3115317 CCN(C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O)S(=O)(=O)C2=CC=C(C=C2)C 1 3.566 1 5 -10.7311075984356 3115307 CC(C)OC(=O)NCCOC(=O)NC1=CC=C(C=C1)Cl 1 2.819 2 4 -7.84113527750169 3115306 CCN\1C2=C(C=CC(=C2)OC)S/C1=C\3/C(=O)N(C(=S)S3)CC=C 1 4.661 2 2 -7.24452139220715 3115304 CCCCN1C(=O)/C(=C\2/C=CC=CN2C)/SC1=S 1 2.785 2 1 -10.1894144873346 3115303 CCN\1C(=C(S/C1=C\2/C(=O)N(C(=S)S2)NC(=O)C)C)C 1 2.059 3 2 -9.51829378053846 3115263 CC(=O)NC1C(C(C(OC1OCC2=CC(=CC=C2)Br)COC(=O)C)OC(=O)C)OC(=O)C 1 1.096 1 9 0 -26.6132209112494 3115262 CCCCCCCCCOC1C(C(C(C(O1)CO)O)O)NC(=O)C 1 1.236 1 6 0 -21.1739194440856 3115257 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC3=NSN=C32)C)[N+](=O)[O-] 1 3.312 4 4 0 -2.73189216872604 3115240 CCOC(=O)C1=C(OC2=C(C1C3=CC=C(S3)C)C(=O)CC(C2)(C)C)N 1 2.524 1 4 -17.8667101760215 3115297 CN\1C=CC=C/C1=C\2/C(=O)N(C(=S)S2)N 1 0.758 3 1 0 -9.13738132165735 3115290 CC(=O)N1CCC2=CC(=C(C3=C2C1CC34C=CC(=NNC(=O)N)C=C4)OC)OC 1 0.97 4 4 0 -11.5850331228308 3115289 CC1(C(=O)/C(=C\NNC(=S)N)/C2=C(O1)C=CC3=C2OC(=O)C=C3)C 1 1.407 3 4 0 -4.74876661659495 3115288 CC1(C(=O)/C(=C\NNC(=O)N)/C2=C(O1)C=CC3=C2OC(=O)C=C3)C 1 0.416 3 5 0 -5.11534911308352 3115287 CC1(C(=O)/C(=C\NC)/C2=C(O1)C=CC3=C2OC(=O)C=C3)C 1 1.528 1 4 0 -3.13210496823593 3113585 CC(C1=CC=CC=C1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)C3=CC=CC=C3Br 1 2.457 4 3 0 -15.8658748844855 3113581 C1=CC=C(C=C1)CNC(=O)C(=O)NCCCN2C=CN=C2 1 0.115 4 2 0 -9.4811595330488 3113559 CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C)NC3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-] 1 1.354 7 4 0 -4.13628576262061 3113536 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4 1 0.585 3 4 0 -14.6371587521812 3113535 COC1=CC=CC(=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.476 1 4 0 -2.98670049989102 3113534 CC(=O)NC1=CC=CC(=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 0.613 2 4 0 -5.94778388458359 3113517 CCCCN1C(=O)/C(=C/2\N(C3=C(S2)C=CC(=C3)Cl)CC)/SC1=S 1 6.053 2 1 -1.49344679492491 3113500 CCOC(=O)N1CCN(CC1)C(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C 1 3.328 3 4 0 -13.0759009888194 3113499 CC1CCCCN1C(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 3.749 2 2 -10.2436786816462 3113497 C1=CC=C(C=C1)CS(=O)(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.475 3 5 0 -12.1839672865465 3113473 CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C 1 1.111 2 3 0 -15.4813733106157 3113470 C1=CN=C(N=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.388 3 2 -4.0254730414661 3113467 C1=CC(=CC=C1C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F)[N+](=O)[O-] 1 1.674 3 5 0 -9.7749327650844 3113465 CC1=CC(=C(C(=C1)C)S(=O)(=O)NN2C=NN=C2)C 1 1.394 4 2 0 -3.27946703128282 3113460 COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.452 3 6 0 -10.8997759996938 3113458 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 2.47 3 4 0 -13.9266272970296 3113449 C1=CN=C(N=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.915 4 3 0 -9.15978277416728 3113441 C1=CC=C(C(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-])Br 1 2.379 3 3 -1.73414222491811 3113415 C1CSC(=O)C1NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 0.917 2 5 0 -17.4257569511847 3113408 C1CSC(=O)C1NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.917 2 5 0 -13.7787502918465 3113401 CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCO2 1 1.586 1 3 0 -8.74952027728538 3113390 C1CC(OC1)CNC(=O)C2=CC(=CC=C2)C(=O)NCC3CCCO3 1 0.963 2 4 0 -13.5618046677719 3113371 COC1=CC=C(C=C1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC 1 2.343 1 6 0 -10.0602703410666 3113357 C1COCCN1CCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 0.653 4 6 0 -11.7189082016558 3113341 CN(C1CCCCC1)C(=O)C2=CC=C(C=C2)C(=O)N(C)C3CCCCC3 1 4.374 2 2 -6.4928944773618 3113335 COC1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N 1 2.603 2 3 -1.59269787004355 3113331 COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NN3C(=O)C4C5CCC(C4C3=O)C=C5 1 3.272 2 5 0 -1.13645273171094 3113169 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CC3=CC=CC=C3Cl 1 2.486 4 3 0 -11.3775894069564 3113170 CC(CSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C)O 1 2.863 4 3 0 -11.2789564023531 3113153 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=CC=C3 1 2.58 2 4 -12.4648430965329 3113147 CC1=CC=C(C=C1)C2C3C(=NC4=C2C(=O)CCC4)C5=CC=CC=C5C3=O 1 4.043 1 2 -11.1123097215402 3113084 CC1=CC=C(O1)C=NNC2=NC3=C(N2)C=C(C=C3)Cl 1 3.073 4 1 6.15636956912619 3113080 CCN1C2=CC=CC=C2N=C1NN=O 1 2.073 4 1 -1.38118784811817 3113079 CN1C2=CC=CC=C2N=C1NN=O 1 1.724 4 1 0 7.25031266330976e-002 3113041 CCOC(=O)C(C)SC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C 1 3.565 4 4 0 -12.054258430799 3113033 CCOC(=O)C(=NNC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)Cl 1 4.678 2 4 -2.34257291165648 3113006 CC1CCCCN1C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C5=CC=CC=C5 1 5.134 4 1 -9.64679017823222 3112969 CC1=CC=C(O1)C2=NN(C(C2)C3=CC(=CC=C3)F)C(=O)C 1 2.498 2 2 -1.80994406541771 3112957 CCN(C1=CC=CC=C1)C(=O)C2=C(C=NN2C)N 1 1.364 4 1 0 -6.96692543511249 3112947 CC1=CC=CC=C1NC2=NNC(=C2[N+](=O)[O-])C 1 2.252 4 2 1.0883895771624 3112946 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC2=CC=C(C=C2)[N+](=O)[O-] 1 1.354 4 5 0 -9.70794800309159 3112940 CC(C)OC1=CC=C(C=C1)C2CC(=O)NC2 1 1.69 1 2 0 -5.11902481182174 3112927 CC(=NNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)OC 1 3.475 3 3 -16.8690235095695 3112924 CC(=NNC(=O)CC1=CSC(=N1)N)CC(=O)NC2=CC=C(C=C2)N(C)C 1 0.831 6 2 0 -7.11251433177936 3112922 CC(=NNC(=O)CCC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)OC)Cl 1 3.094 3 3 -9.17366168246683 3112921 CC(=NNC(=O)COC1=CC=C(C=C1)OC)CC(=O)NC2=CC=C(C=C2)OC 1 1.757 3 5 0 -7.38119999982254 3112920 CC1=C(C=C(C=C1)NC(=O)CC(=NNC(=O)C2=CC=CC=N2)C)Cl 1 2.383 4 2 -10.0170616413229 3112918 CC1=CC(=CC=C1)OCC(=O)NN=C(C)CC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 3.605 3 3 -3.13995286780335 3112917 CC(=NNC(=O)C(=O)NCC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)Cl)OC 1 1.876 4 4 0 -12.3197541976946 3112916 CC1=CC=C(C=C1)OCC(=O)NN=C(C)CC(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.924 3 4 0 -6.30678471657697 3112915 CC(=NNC(=O)CCC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)Cl)OC 1 3.094 3 3 -9.82676671000399 3112914 CC(=NNC(=O)CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.638 3 3 -6.84138727180626 3112913 CCCCC(=O)NN=C(C)CC(=O)NC1=C(C=CC(=C1)Cl)OC 1 2.518 3 3 -10.2730626115369 3112912 CC(=NNC(=O)CC#N)CC(=O)NC1=C(C=CC(=C1)Cl)OC 1 0.998 4 3 0 -12.2394040989996 3112908 CC(=NNC(=O)C1=CC=CC=C1[N+](=O)[O-])CC(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.497 4 5 0 -12.2011068654518 3112907 CC(=NNC(=O)C1=CC=CC=C1Cl)CC(=O)NC2=C(C=CC(=C2)Cl)OC 1 3.267 3 3 -9.40661094561278 3112905 CC(C)N(C(C)C)C(=O)CC(=NNC(=O)COC1=C(C=C(C=C1)Br)Br)C 1 3.369 3 3 -7.30760027515876 3112899 CCOC(=O)C1=NNC2(C1C(=O)N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C 1 3.218 3 4 0 -3.53872015815465 3112870 CC1=CC=C(C=C1)N(CC(=O)NCC(C2=CC=CC=C2)O)S(=O)(=O)C3=CC=C(C=C3)C 1 3.628 2 4 -16.2353577324479 3112866 CC1=C(C(C(=C(O1)N)C#N)C2=CN=CC=C2)C(=O)OC 1 0.464 3 3 0 -11.2482449737509 3112865 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(S3)Br)C4=CC=CC=C4 1 3.806 4 1 -3.16796637847476 3112830 CC1(CC(CCO1)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C 1 3.327 2 3 -1.64921291761439 3112809 C1COCCN1N=NC2=CC=C(C=C2)S(=O)(=O)N3CCSC3C(=O)O 1 1.35 4 5 0 -14.3466674102217 3112806 CN(C)N=NC1=CC=C(C=C1)S(=O)(=O)N2CCSC2C(=O)O 1 1.663 4 4 0 -12.0029935070814 3112804 CCCCC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=NN2CCCCC2 1 3.405 4 3 0 -8.37088320841178 3112799 CCCCC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=NN2CCOCC2 1 2.176 4 4 0 -9.6160537999241 3112798 COC(=O)CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=NN2CCOCC2 1 0.667 4 6 0 -15.1278615127102 3112777 C1CSC(N1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)O 1 2.187 1 4 -12.7139091981309 3112776 CC1=CC=C(C=C1)S(=O)(=O)N2CCSC2C(=O)O 1 1.765 1 4 0 -14.738267292965 3112773 CCOC(=O)C1CCCC(C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.478 2 5 0 -13.5835410112087 3112772 C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)N 1 1.516 2 4 0 -12.7759337241472 3112767 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCOCC3 1 4.486 1 6 0 -11.8667847007315 3112766 COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCOCC3 1 4.519 1 4 -8.34813390172451 3112763 CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCCCC3)[N+](=O)[O-] 1 6.04 3 6 0 -8.46952438940558 3112760 C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 5.553 3 6 0 -9.09768530510294 3112758 C1COCCN1C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.324 3 7 0 -8.91081394983746 3112757 C1COCCN1C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.43 2 5 0 -12.3649385922204 3112753 C1COCCN1C(=S)C2=CC=CC=C2OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.576 3 7 0 -10.1152930826288 3112750 CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=CC(=C2)C(=S)N3CCOCC3)[N+](=O)[O-] 1 4.062 3 7 0 -14.3487776471915 3112749 C1COCCN1C(=S)C2=CC(=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.576 3 7 0 -14.9769385628889 3112747 C1COCCN1C(=S)C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.576 3 7 0 -13.6991935052796 3112746 COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.721 1 7 0 -15.9908777430938 3112745 CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=C(C=CC(=C2)C(=S)N3CCOCC3)OC)[N+](=O)[O-] 1 4.045 3 8 0 -15.5999762315433 3112742 COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.559 3 8 0 -14.9503920896314 3112741 CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 4.07 1 7 0 -17.7715183451667 3112733 CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)C(=S)N3CCOCC3)OC)[N+](=O)[O-] 1 4.045 3 8 0 -16.1988168985191 3112732 COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.559 3 8 0 -16.8269778142165 3112730 COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.559 3 8 0 -15.5492327566073 3112729 COC1=CC(=CC(=C1OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC)C(=S)N3CCOCC3 1 3.705 1 8 0 -13.5289865599004 3112727 COC1=CC(=CC(=C1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC)C(=S)N3CCOCC3 1 3.543 3 9 0 -14.4275911710154 3112724 COC1=CC(=CC(=C1OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC)C(=S)N3CCOCC3 1 3.543 3 9 0 -13.074412196388 3112717 C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.576 3 7 0 -13.086630848604 3112715 C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.576 3 7 0 -11.8088857909947 3112709 CCCCC1(CC(=NN1C(=O)COC2=CC=CC=C2)C(F)(F)F)O 1 3.218 2 3 1.83674248238694 3112677 CC1=CC=CC=C1C(=O)NNC2=CC=C(C=C2)[N+](=O)[O-] 1 3.017 3 3 -7.25915307352549 3112601 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3CC4C(C(=C3)C)C(=O)N(C4=O)C5=CC=C(C=C5)C 1 3.85 2 4 -3.00139916579966 3112589 C1COCCN1CC(CN2C(=O)C3=CC=CC=C3C2=O)O 1 0.178 2 4 0 -6.29016686079533 3112546 COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)C=NNC(=O)C4=CC=NC=C4)C5=CC=CC=C5 1 4.868 5 2 0 -9.43684175306195 3112489 CCNC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 1 3.049 2 3 -12.5510348577124 3112485 C1C(CN(C1C(=O)NC2=CC=C(C=C2)Br)C(=O)OC3=CC=CC=C3)O 1 2.69 2 4 -3.34187247276464 3112482 CC1=CC(=C(C=C1)NC(=O)C2CCCN2C(=O)OC3=CC=CC=C3)C 1 4.004 2 3 -9.36739636612242 3112481 CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)OC3=CC=CC=C3)C 1 4.004 2 3 -7.49089492721875 3112394 CC1=C(SC(=N1)C)C2=CSC(=N2)N 1 1.317 3 0 0 7.03809529803193 3112378 C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)NN=CC4=CC=C(O4)C5=CC=C(C=C5)Cl 1 3.581 6 3 0 6.17043208548896 3112292 CCOC1=CC=C(C=C1)C=NNC(=O)COC2=CC=CC=C2C3=CC=CC=C3 1 4.369 2 3 -4.39757358543576 3112324 CC1=CC=C(C=C1)C(=O)NN=C(C)C2C(=O)C3=CC=CC=C3C2=O 1 2.611 2 3 -4.72482221991422 3112322 CC1=CCC(CC1=NNC2=CC=CC=C2[N+](=O)[O-])C(=C)C 1 4.255 3 2 -4.48039384368829 3112294 C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)NN=CC3=CC4=CC=CC=C4C=C3 1 4.945 2 2 -1.74761999754499 3112293 C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)NN=CC3=CC=CC4=CC=CC=C43 1 4.945 2 2 -0.789720723103696 3112199 CC(=NNC(=O)C1=NNC(=C1)C(C)(C)C)C23CC4CC(C2)CC(C4)C3 1 4.109 4 1 -1.66036813408206 3112189 CCNC(=S)NNC(=O)C1=CN=CC=C1 1 0.618 4 1 0 -11.0828252216748 3112173 CC1(CC2=C(C(C3C(=N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl)C(=O)C1)C 1 4.679 1 2 -10.9526336395129 3112062 C1CCC(C(C1)C(=O)NCCC2=CC=C(C=C2)F)C(=O)O 1 2.795 1 3 -7.1876164704101 3112065 CNC(=O)CCCCC(=O)NN=CC1=C(C=C(C=C1)Cl)Cl 1 2.683 3 2 -7.55213911462097 3112080 CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CCNC=C4C(=O)CC(CC4=O)(C)C 1 3.186 4 5 0 -8.25399896618769 3112079 CC1(CC(=O)C(=CNCCN2CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)C(=O)C1)C 1 2.29 4 4 0 -5.60687769349812 3112072 CCOC(=O)C1CCN(CC1)C2CC(=O)N(C2=O)C3=CC(=CC=C3)Cl 1 2.356 2 4 2.76399461463201 3112035 C#CCOC1=NC(=NC(=N1)NC2=CC(=CC=C2)[N+](=O)[O-])OCC#C 1 4.667 5 4 0 -5.5448214837292 3111958 CC(C(=O)NC1=C(C=C(C=C1)OC)OC)N2C(=O)C3=CC=CC=C3C2=O 1 1.95 2 5 0 -17.6546688037805 3111926 C1=CC=C(C=C1)NC2=NC(=O)C(S2)CC3=C(C(=CC=C3)Cl)Cl 1 5.251 2 1 -3.78858222066598 3111907 CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC3CCCC3 1 3.275 1 4 -14.3171631494177 3111902 CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=CN3 1 2.514 3 1 -11.3642758364399 3111851 CC1C2=C(CC(CC2=O)(C)C)NC(=C1C(=O)C)C 1 1.41 1 2 0 -27.6865274828485 3111844 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)F 1 3.058 2 3 -12.4955655782124 3111843 CC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC 1 2.543 2 3 -15.3639607010653 3111807 CN(C)C1=NC(=NC(=N1)NN=CC2=CC(=CC=C2)Br)NCC3=CC=CC=C3 1 3.7 7 0 0 -2.28977424536998 3111791 CNC1=NC(=NC(=N1)NC2=CC=CC=C2)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])F 1 2.839 8 2 0 -4.95626691881038 3111787 COC1=NC(=NC(=N1)NN=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])N4CCOCC4 1 2.803 7 5 0 -6.01589472559729 3111752 CCCOC1=C(C=C(C=C1)C=NN2C(=NN=N2)N)OC 1 1.42 6 2 0 -8.85301678879005 3111744 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CCCC3=CC=CC=C3 1 2.599 4 3 0 -10.4852810397677 3111732 CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2Br)OCO3)C(=O)OC 1 1.787 2 5 0 -17.9588596708435 3111694 CCCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C 1 3.288 4 2 -10.3177340330533 3111693 CC(C)N1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C 1 3.864 4 2 -7.57887756372118 3111674 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)O 1 1.978 3 5 0 -22.5242027598231 3111662 C1CC1C(=O)NN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46 1 2.15 2 3 -10.2431266056769 3111659 CC1=CC=C(C=C1)C(=O)NN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46 1 3.543 2 3 -10.1251037115992 3111657 CCOC(=O)C1=NNC2(C1C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)C 1 2.553 3 4 0 -5.62202204388371 3111651 C1C(C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)NCC5=CN=CC=C5 1 3.277 2 1 -11.111267212459 3111639 C=CCN1C(=O)C2C3CC(=O)C(C2C1=O)C4=CC=CC=C34 1 1.022 1 3 0 -11.0140019499518 3111638 COC(C12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CN=CC=C6)OC 1 2.242 2 4 -5.19816388366755 3111629 C1=CC=C(C=C1)C2=C(C2C(=O)NC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4 1 4.115 2 3 -2.87469694734754 3111601 CC(=NNC(=O)CC1=CC=CS1)CC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.509 3 2 -11.2006631083885 3111600 CC1=C(C=C(C=C1)NC(=O)CC(=NNC(=O)CC2=CC=CS2)C)Cl 1 3.094 3 2 -8.00197138719287 3111598 CC(=NNC(=O)COC)CC(=O)NC1=CC=CC=C1C(=O)N 1 -0.971 4 4 0 -10.5833358892091 3111594 CC(=NNC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(C)(C)C 1 2.976 4 5 0 -19.6494357468422 3111587 COC(=O)CN(C1=CC=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2 1 2.125 2 6 0 -16.7514747306642 3111561 CCOC(=O)C(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])NC(=O)CCC(=O)NC2=CC=C(C=C2)OC 1 2.331 3 8 0 -18.8049797656784 3111560 CCOC(=O)C(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])NC(=O)CCC(=O)NC2=CC=C(C=C2)C 1 2.834 3 7 0 -18.5607864054437 3111548 CC1(CC(=O)C(C(=O)C1)C(C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=C(CC(CC3=O)(C)C)O)C 1 3.771 1 6 0 -2.44377531828529 3111527 COC(=O)CCC(=O)NNC(=O)C1CC1(C2=CC=CC=C2)C3=CC=CC=C3 1 1.894 2 4 0 -13.2123361459226 3111440 C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)NC4=CC=C(C=C4)Br)Br 1 4.866 2 2 1.62054435075023 3111438 CC(=O)OCCCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)Br 1 2.421 1 4 -0.589769090085839 3111420 CC(C1=CC=CC=C1)NC(=O)C2=CC=NC=C2 1 1.848 2 1 0 -10.0313401371903 3111409 CC1=CC(=CC(=C1)CC(C(C)C(=O)O)C(=O)NC2=CC=C(C=C2)OC)C 1 4.165 1 4 -9.17183627200024 3111408 COC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NCC2=CC=CC=C2 1 2.737 1 4 -9.99002529452071 3111390 C1C2C=CC1C(C2C(=O)NCC3=CC=CS3)C(=O)O 1 1.239 1 3 0 -10.2661676552595 3111378 C1=CC=C(C=C1)CN(CCO)C2=CC(=O)C(=O)C3=CC=CC=C32 1 2.563 1 3 1.67987413830518 3111311 CC1=C(C=CC(=C1)Cl)OCCCC(=O)NCC2=CC=CC=N2 1 3.241 2 2 -9.90384256742512 3111310 CC(=NNC(=O)CC1=CC=CC2=CC=CC=C21)C3=CC=CS3 1 3.56 2 1 -7.76413848732047 3111269 C1COCCN1CCCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 0.715 4 6 0 -12.4455227020579 3111266 C1CN(CCC1CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.439 4 6 0 -13.1018961339254 3111259 C1=CC=C2C(=C1)N=CN2C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.788 4 5 0 -5.69510173741669 3111258 C1COCCN1CCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 0.653 4 6 0 -12.2527352635425 3111219 C1=CC=C(C(=C1)C(=O)NCCCN2C=CN=C2)Cl 1 1.506 3 1 0 -6.45646807948422 3111211 CC1=CC(=C(C(=C1)C)NC(=O)C2CC3CCC2C3)C 1 4.211 1 1 -1.09648186597712 3111209 COC1=CC(=C(C=C1)NC(=O)C2CC3CCC2C3)OC 1 2.719 1 3 -3.26124842067179 3111195 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NP(=O)(C)OC3=CC=C(C=C3)C(C)C 1 2.661 3 3 -5.21128944591963 3111187 CC1CC(=O)NN=C1C2=CC(=C(C=C2)N)[N+](=O)[O-] 1 0.659 4 3 0 -8.37312434883932 3111174 CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)N1C=NC2=C1N=CN=C2N3CCOCC3 1 2.276 6 2 0 -13.8846081901632 3111171 C1=CSC(=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)Cl 1 3.97 2 2 -5.31046632612019 3111150 C=CCNC1=NC(=C(S1)C(=C(C#N)C#N)C2=CC=C(C=C2)Br)N 1 3.277 5 0 -8.42100461915102 3111143 CC1=NC2=C(C=C1)C3=C(S2)C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)Br 1 4.438 4 0 -2.77592221266211 3111082 CCCC[N+](CCCC)(CCCS(=O)(=O)[O-])CC#CC1=CC=CC=C1 1 1.018 1 3 0 -5.02852594152945 3111064 CCOC(=O)C(C(C1=CC(=CC=C1)N(CCCl)CCCl)OC(=O)C)NC(=O)C 1 2.509 2 5 0 -16.7154152322764 3111063 CCOC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C)NC(=O)C 1 0.911 2 7 0 -13.8982983988518 3111061 C1=CC(=CC(=C1)[N+](=O)[O-])C(C(C(=O)O)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])O 1 1.351 3 9 0 -16.3654830884106 3111056 CCCCCCCCCCCC(=O)NC(C(C1=CC(=CC=C1)[N+](=O)[O-])O)C(=O)OCC 1 5.305 2 6 0 -22.2355916657834 3111043 CCCCCCCCCCCC(=O)NC(C(C1=CC=CC=C1)O)C(=O)O 1 4.836 1 4 -19.7225248047615 3111034 C1=CC=C(C=C1)C(=O)NCC(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)O 1 1.601 6 6 0 -23.0663117482028 3111016 C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC(=CC=C3)OC(=O)C4=CC=CO4)NC5=CC=CC=C5 1 3.46 7 4 0 -9.32416429539109 3111014 CCOC1=C(C=CC(=C1)C=NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCOCC4)OC(=O)C5=CC=CO5 1 3.792 7 5 0 -12.295631358913 3111005 COC1=C(C=C(C=C1)C=NNC2=NC3=CC=CC=C3O2)OC 1 2.846 3 3 -1.73191873128143 3110998 COC1=C(C=C(C=C1)C=NNC2=NC3=CC=CC=C3N2)OC 1 2.836 4 2 3.497336084053e-003 3110997 C1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3N2 1 2.868 4 0 3.95529028071073 3110951 C1CCN(C1)C(=O)C23CCC4CC(C2)CC(C4)C3 1 3.052 1 1 -1.13011519807265 3110938 CC(=O)OC1C(OCCO1)NC(=S)NCC2=CC=CO2 1 1.218 2 5 0 -18.3486384085422 3110925 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=CC=NC=C4)C=CC=C3C1=O 1 1.584 3 3 0 -6.80002631708392 3110916 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(C=CC(=C3)O)O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.302 4 4 0 -5.98554367859384 3110915 C1CS(=O)(=O)CC1NC(=S)SCCOC2=CC=CC=C2 1 2.808 1 3 -9.2921245472957 3110884 CCCCS(=O)CC1=CC=CC=C1 1 2.595 0 1 1.53426340268753 3110877 C1=CC(=C(C=C1C2=CC=C(O2)C=NNC(=O)C3=NON=C3N)C(=O)O)Cl 1 2.207 5 5 0 -10.812131048431 3110873 C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-] 1 3.321 4 4 0 2.23882274881578 3110863 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-] 1 3.427 3 3 -2.47120183711963 3110862 COC(=O)CCC(=O)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 0.172 3 6 0 -18.961734465233 3110853 C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4 1 2.534 8 3 0 -6.45665363158975 3110826 CC1C=C(C2C(C1(COC2C3=CC=C(C=C3)O)CO)C)C 1 2.749 0 3 8.90815955174721 3110791 CCCCOC(=O)CSC(=S)N(C)CC1=CC=CS1 1 4.564 1 2 -10.5485080496382 3110772 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC 1 1.713 5 7 0 -17.0984623453839 3110730 CC(C)OCCCNC(=O)NC1=CC=CC2=CC=CC=C21 1 2.512 2 2 -13.4350134346658 3110715 C1=CSC(=C1)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-] 1 2.343 3 3 -11.2075009072145 3110663 C1C(C(NC1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.821 1 0 1.90743396132378 3110655 CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OCC(=O)N3CCCCCC3)C 1 3.324 3 4 0 -34.6398720519235 3110652 CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OCC(=O)N3CCCCC3)C 1 2.868 3 4 0 -34.6398720519235 3110601 CC(=O)NC1=CC=CC(=C1)C2=CN3C=CC=CC3=N2 1 1.637 3 1 0 -1.9032133377329 3110581 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O 1 2.977 4 7 0 -4.87060459044725 3110496 CCOC1=CC=C(C=C1)C(=NNC(=O)C(C2=CC=CC=C2)OC)C 1 2.787 2 3 -20.1596718758417 3110501 COC(C1=CC=CC=C1)C(=O)NN=CC2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 1.411 3 5 0 -24.8188090782393 3110502 CC(C(=O)NN=C(C)C(C)(C)C)SC1=CC=CC=C1 1 3.413 2 1 -8.41650391806665 3110506 CC(C(=O)NN=C1CCCCCC1)SC2=CC=CC=C2 1 3.742 2 1 -9.37746933954141 3110511 CC(C(=O)NN=C1CCCCCCC1)SC2=CC=CC=C2 1 4.198 2 1 -9.37746933954141 3110512 CC(=NNC(=O)C(C1=CC=CC=C1)OC)C2=CC=C(C=C2)C(C)(C)C 1 3.855 2 2 -16.4733913145133 3110513 CC(=NNC(=O)CSCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=CC=C2)Br 1 3.707 3 3 -11.4481757535583 3110520 CC(C(=O)NN=CC1=CC=CS1)SCC2=CC=CC=C2 1 3.521 2 1 -9.01831155418822 3110542 CCCOC1=C(C=C(C=C1)C=NNC(=O)CN2CCCCC2)OCC 1 3.13 3 3 -10.0046960930458 3110534 CC(C)(CCC#N)C=NNC(=O)CSCC1=CC=C(C=C1)Cl 1 3.406 3 1 -11.1655663474862 3110527 COC(C1=CC=CC=C1)C(=O)NN=CC2=CC(=CC=C2)OCC=C 1 3.074 2 3 -22.5920505010913 3110524 COC1=C(C=CC(=C1)C=NNC(=O)CN2CCCCC2)OCC=C 1 2.526 3 3 -14.4318455507786 3110489 CC(C(=O)NN=C1CCCC1)SC2=CC=CC=C2 1 2.829 2 1 -9.02300082537333 3110473 CC1=CC=C(C=C1)C(=NNC(=O)C(C2=CC=CC=C2)OC)C 1 2.941 2 2 -19.0515254636246 3110472 CC(C(=O)NN=CC1=CC2=C(C=C1Br)OCO2)SCC3=CC=CC=C3 1 4.084 2 3 -8.41582878222865 3110463 CC(C(=O)NN=CC1=CC2=C(C=C1)OCO2)SCC3=CC=CC=C3 1 3.336 2 3 -9.25429297394498 3110447 CCOC1=C(C=CC(=C1)C=NNC(=O)CN2CCOCC2)OCC=C 1 1.645 3 4 0 -17.5141824251187 3110441 CCOC1=CC=C(C=C1)C=NNC(=O)C(C2=CC=CC=C2)OC 1 2.806 2 3 -17.7560280639058 3110439 CC(C(=O)NN=CC1=CC(=CC=C1)OC)SC2=CC=CC=C2 1 3.544 2 2 -5.22071450144224 3110437 CC(C(=O)NN=CC1=CN=CC=C1)SC2=CC=CC=C2 1 2.41 3 1 -5.25002718153048 3110397 C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=CC=NC=C3)N4CCCC4 1 1.346 8 0 0 -1.75843142485138 3110343 COC1=C(C=C(C=C1)[N+](=O)[O-])C=NNC2=NNN=N2 1 1.059 7 3 0 -5.14330363301558 3110342 C1=CC=C(C(=C1)C=NN2C(=NN=N2)N)OCC#N 1 0.294 7 1 0 -7.69041182592941 3110290 C1=CC=C(C=C1)C(C(=O)NN=CC2=CC=CC=C2OCC(=O)O)O 1 1.531 2 5 0 -12.2442275829761 3110292 COC1=CC(=C(C=C1)OC)C=NNC(=O)C(C2=CC=CC=C2)O 1 2.033 2 4 -8.43969197709171 3110211 CCCCC(CC)C1=NN=C(S1)NC(=O)C2=CC=CS2 1 4.257 3 1 -13.1868357762757 3110316 CC1=CSC(=N1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O 1 1.418 3 5 0 -8.78787427288361 3110271 CC1=NN(C(=O)C1C(C2=CC(=CC=C2)O)C3=C(NN(C3=O)C4=CC=C(C=C4)Cl)C)C5=CC=C(C=C5)Cl 1 4.587 4 3 0 6.03277990410335e-002 3110269 CC1=NN(C(=O)C1C(C2=CC=CC=C2O)C3=C(NN(C3=O)C4=CC=C(C=C4)Cl)C)C5=CC=C(C=C5)Cl 1 4.587 4 3 0 0.875267684004824 3110227 CC(=CCC1(C(=O)C=CC2=C1N=C3C(=C2OC)C=CO3)OC)C 1 3.167 1 4 -4.84141848447223 3110170 CC1=CC(=NC(=N1)NN=CC2=CC=CC=C2OCC(=O)O)C 1 1.584 4 3 0 -8.63324611204127 3110167 CC1=CC(=O)N=C(N1)NN=CC2=CC(=CC=C2)Br 1 2.156 4 1 -8.45256854692838 3110166 CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 1.498 4 4 0 -21.2781042928941 3110124 CCCCCC(=O)NC1=CC=C(C=C1)CC2=CC=NC=C2 1 3.809 2 1 -9.15891624154184 3110120 CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O 1 4.669 2 6 0 -13.31375505197 3110095 CC1=CC(=C(C=C1C(C2=CC=C(C=C2)O)C3=CC(=C(C=C3C)O)C)C)O 1 6.307 0 3 3.81821095508239 3110067 C1CC(CN(C1)C(=S)NC(=O)C2=CC=C(C=C2)F)C(F)(F)F 1 4.041 2 1 -9.05717562760709 3110061 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)N3CCOCC3 1 3.335 2 2 -10.6650057999476 3110003 CCCCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 4.216 3 6 0 -7.73856935036932 3110002 CC1=CC(=NC(=C1C)C2=CC=CC=C2)C3=CC=CC=C3 1 5.545 1 0 4.53020095548109 3109998 CC1CC(=O)C(CN1S(=O)(=O)C2=CC=C(C=C2)C)C 1 2.037 1 3 -10.0614186165489 3109985 C1C(=O)N(C(=S)N1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br 1 4.544 2 2 -5.67628845630288 3109982 CC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)S2)C3=CC=CC=C3 1 3.333 2 3 -8.75141163319256 3109981 CC1=CC(=CC=C1)NC(=O)CC2C(=O)N(C(=O)S2)C3=CC=CC=C3 1 3.333 2 3 -6.96116030638821 3109980 CC1=CC=CC=C1NC(=O)CC2C(=O)N(C(=O)S2)C3=CC=CC=C3 1 3.333 2 3 -11.4845174061973 3109963 CCCCCCCCCC(=O)NNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CCC)O 1 5.076 3 4 0 -9.40654320884452 3109962 CCCCCCCCC(=O)NNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CCC)O 1 4.62 3 4 0 -9.40654320884452 3109960 CC(C)CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NN=CC3=CC(=CC=C3)F 1 4.605 3 3 -1.69458524161093 3109959 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NN=CC3=CC(=CC=C3)F 1 4.353 3 3 7.66147505057698e-002 3109957 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3CCCO3 1 2.405 2 4 -8.75923653439854 3109949 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC(=N3)C 1 4.207 3 3 -0.330603672329162 3109920 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C(=O)NC3=CC=CC=C3 1 1.717 3 4 0 -8.51601107141301 3109782 CC1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C 1 2.397 2 4 -17.1342742367324 3109779 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC2=CC=CC=C2)C 1 4.104 1 2 -2.68775185176509 3109757 C1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 2.623 3 4 0 -14.7255964597301 3109741 CNC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)C 1 1.579 2 2 0 -3.89261741222865 3109735 C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C4C(=C(C=C3)C(=O)O)C=CC=C4C2=O 1 2.552 1 7 0 -3.36033680129151 3109726 CCCOC(=O)NC1=C(C=CC(=C1)OC)[N+](=O)[O-] 1 2.344 2 5 0 -5.82015579426212 3109722 CC(=NNC(=O)C(C1=CC=CC=C1)O)C2=CC=C(C=C2)Cl 1 2.71 2 2 -8.51165418681746 3109721 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C(C2=CC=CC=C2)O 1 2.925 3 2 -12.8846813053396 3109707 C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC=CO3)N4CCOCC4 1 0.345 7 3 0 -3.86057065496053 3109611 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=C(C)CCC2=CC=CC=C2)C3=CC=C(C=C3)OC 1 4.16 3 4 0 -14.3001871747781 3109578 COC1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 3.038 3 6 0 -19.1857535909812 3109471 CC1=CC(=NC(=N1)N)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 1 3.602 3 1 -5.64810582210855 3109295 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])OC)[N+](=O)[O-] 1 2.13 4 7 0 -6.23898628916746 3109293 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-] 1 2.335 4 7 0 -10.3985962759891 3109197 CCC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)N(C)C 1 2.657 2 2 -14.4747073160543 3109196 CCNC(=O)C1=C(SC2=C1CCCCC2)N 1 2.266 2 1 -9.03567277174835 3109171 C1=CC=C(C=C1)CCC=NNC(=O)C2=CC=CC=C2 1 3.066 2 1 -6.14953713856556 3109128 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.456 3 5 0 -11.8527488561366 3109124 CN1C(=O)CC(C1=O)N2CCN(CC2)C3=CC=CC=C3 1 1.068 3 2 0 4.064976768161 3109123 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)F)C4=CC=CC=C4Cl 1 3.515 3 2 8.43312421713869 3109118 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.485 3 4 0 4.16623673805428 3109108 C1=CC(=CC(=C1)NC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])CO 1 1.346 3 4 0 -2.03551750006026 3109098 CC1(C(CCC1(C)C(=O)O)C(=O)NC2=CC=C(C=C2)F)C 1 2.885 1 3 -1.65055754663122 3109094 CC1=CC(=CC=C1)NC(=S)NN=C(C2=CC=CC=C2)C(C)C 1 5.682 3 0 -4.77448336782161 3109024 C1=CC=C(C(=C1)C(=O)NNC2=CC=C(C=C2)[N+](=O)[O-])Cl 1 3.195 3 3 -4.86922968155918 3109035 CC(C=NNC(=O)C1=CC(=C(C=C1)OC)OC)C2=CC=CC=C2 1 3.04 2 3 -11.5188574799058 3109089 COC(=O)CCC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2 1 3.39 3 3 -8.95069444292513 3109049 CC1=CC(=NN1)C(=O)NN=C(C)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.2 4 1 -6.96647384180411 3109043 C1=CC=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)Cl)CC(=O)O 1 3.411 1 3 -5.80721989386724 3109042 CC(C1=CC=CC=C1)C(CC(=O)O)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 4.327 1 3 -9.54888161448808 3109040 CCOC1=CC=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)C)CC(=O)O 1 3.565 1 4 -8.65175380693287 3109039 CC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NCC2=CC=CC=C2 1 3.239 1 3 -9.57705908537657 3109038 C1=CC=C(C=C1)CNC(=O)C(CC2=CC=C(C=C2)Cl)CC(=O)O 1 3.417 1 3 -7.75506039478976 3108985 CC1=C(C=C(C=C1)N2C(=O)C3=CC4=C(C(=C3C2=O)C(=O)C5=CC=C(C=C5)C(=O)O)C(=O)N(C4=O)C6=CC(=C(C=C6)C)C)C 1 6.026 2 7 0 -8.65070027647651 3108972 C1=CC(=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-] 1 1.971 3 4 0 -4.78257168674291 3108947 CC1=CC(=C2C(=C1)[N+](=C(S2)C)CCCS(=O)(=O)[O-])C 1 0.806 1 3 0 -6.98694249366328 3108930 C1=CC=C(C=C1)OC2=CC=[N+](C=C2)CCCS(=O)(=O)[O-] 1 0.217 1 4 0 -0.937940371234945 3108928 CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)N)C3=CC=CC=C3 1 2.705 5 1 4.94003548357118 3108852 C1CCC(C(=O)CC1)C2(C3=CC=CC=C3NC2=O)O 1 1.63 1 3 0 -6.75210363010679 3108850 CCCC1(NC(=O)C2=CC=CC=C2O1)C 1 2.048 1 2 -2.2512519728876 3108837 C1=CC=C(C=C1)CCC(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 3.027 2 2 -9.08723437296995 3108795 CCC1=CC=C(C=C1)NC(=O)CN(C2=NON=C2C)N=NC3=NON=C3C 1 2.621 8 3 0 -8.15192231826071 3108754 CCC(=NNC(=O)CSCC1=CC=CC=C1Cl)C2=CC3=C(C=C2)OCCO3 1 4.181 2 3 -14.323808726838 3108752 CC(=NNC(=O)CSCC1=CC=CC=C1Cl)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 4.513 3 2 -14.9815865014245 3108745 CCC(=NNC(=O)CSCC1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)OCCO3 1 4.181 2 3 -11.8060234553198 3108744 CC(=NNC(=O)CSCC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 4.513 3 2 -13.6580195042097 3108703 CC1=CC(=C(C=C1)N(CC(=O)NN=CC2=CC=C(C=C2)OC3CSC3)S(=O)(=O)C4=CC=CC=C4)C 1 4.645 3 4 0 -15.5293726099797 3108701 CC(C)C1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=C(C=C2)OC3CSC3)S(=O)(=O)C4=CC=CC=C4 1 4.867 3 4 0 -15.0966596655497 3108656 CC1=C(C=CC(=C1)Cl)NC(=O)CC(=NNC(=O)C(C2=CC=CC=C2)OC)C 1 2.897 3 3 -19.9868152305758 3108653 CC1=C(C=CC=C1Cl)NC(=O)CC(=NNC(=O)CC2=CSC(=N2)N)C 1 1.819 5 2 0 -3.19528893803313 3108648 CC1=CC(=C(C(=C1)C)NC(=O)CC(=NNC(=O)C2=NC=CN=C2)C)C 1 1.541 5 2 0 -12.9907409321491 3108641 CC(=NNC(=O)CC1=CSC(=N1)N)CC(=O)NC2=CC=C(C=C2)Br 1 1.417 5 2 0 -4.08588900768132 3108636 CC(=NNC(=O)C1=CC(=CC=C1)O)CC(=O)NC2=CC=C(C=C2)Br 1 2.461 3 3 -6.09171336539086 3108633 CC(=NNC(=O)C1=CC=CC=C1OC)CC(=O)NC2=CC=CC=C2NC(=O)C 1 1.059 4 4 0 -14.0478948944104 3108630 COC1=CC=CC=C1NC(=O)C(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2 1 1.865 3 5 0 -11.2077693497164 3108627 CC1=CC=CC=C1NC(=O)C(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2 1 2.367 3 4 0 -10.3117903267884 3108626 C1=CC=C(C=C1)NC(=O)C(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2 1 1.881 3 4 0 -8.13040776402271 3108612 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.509 3 5 0 -7.95820768036119 3108602 CCC1=CC=C(C=C1)NC(=O)C(=O)NNC(=O)C2=CC=CS2 1 2.033 3 3 -10.570778596739 3108601 CC1=CC=C(C=C1)NC(=O)C(=O)NNC(=O)C2=CC=CS2 1 1.577 3 3 0 -10.3313404609599 3108599 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CS2)[N+](=O)[O-] 1 1.719 3 4 0 -12.0216669075447 3108596 CC(=NNC(=O)C12CC3CC(C1)CC(C3)C2)CC(=O)NCCC4=CC(=C(C=C4)OC)OC 1 3.141 3 4 0 -16.0988037637157 3108592 CC(=NNC(=O)C12CC3CC(C1)CC(C3)C2)CC(=O)NC4=CC=CC=C4OC 1 2.83 3 3 -11.2803671224705 3108590 CC(=NNC(=O)C(=O)NCCOC)CC(=O)NC1=CC2=C(C=C1)OCO2 1 -0.718 4 6 0 -18.285878318574 3108583 CC(=NNC(=O)CC1=CC=C(C=C1)Cl)CC(=O)NCC2=CC=CC=C2OC 1 2.645 3 3 -10.8812322918523 3108580 CC(=NNC(=O)C1=CC=CC=N1)CC(=O)NC2CCCCC2 1 1.515 4 2 0 -13.8619794767634 3108578 CC(=NNC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2)CC(=O)NC3CCCCC3 1 3.79 3 2 -5.89554855860999 3108574 CC(=NNC(=O)C1=CC=C(C=C1)Br)CC(=O)NC2CCCCC2 1 2.985 3 2 -11.0858972240534 3108573 CC1=CC=CC=C1C(=O)NN=C(C)CC(=O)NC2CCCCC2 1 2.723 3 2 -14.0122779296416 3108568 CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NC23CC4CC(C2)CC(C4)C3 1 0.649 5 2 0 -14.5324612562624 3108550 CC(=NNC(=O)C1=CC=C(C=C1)F)CC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.727 3 2 -10.0931330298288 3108546 CC1=CC=C(C=C1)C(=O)NN=C(C)CC(=O)NC23CC4CC(C2)CC(C4)C3 1 3.008 3 2 -10.805010055294 3108536 CC(=NNC(=O)C1CCCCC1)CC(=O)NC2CCCC2 1 2.242 3 2 -8.74183566037229 3108532 CCNC(=O)CC(=NNC(=O)C12CC3CC(C1)CC(C3)C2)C 1 1.618 3 2 0 -10.9555723050564 3108531 CCNC(=O)CC(=NNC(=O)C1CCCCC1)C 1 1.189 3 2 0 -8.84450094760488 3108528 C1=CC(=CC=C1F)S(=O)(=O)NNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.338 3 5 0 -7.45584459687229 3108523 CC(C)(C)NC(=O)C(=O)NNC(=O)C1=CC=CO1 1 -0.113 3 4 0 -12.7256646212425 3108520 CC1=CC=C(C=C1)OCC(=O)NNC(=O)C(=O)NC(C)(C)C 1 0.814 3 4 0 -14.6698895763755 3108518 CC(C)(C)NC(=O)C(=O)NNC(=O)COC1=CC=CC=C1 1 0.327 3 4 0 -15.1581235883443 3108515 CC(C)(C)NC(=O)C(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-] 1 0.386 4 5 0 -16.0430848622911 3108510 CC(C)(C)NC(=O)C(=O)NNC(=O)C1=CC(=CC=C1)Br 1 1.24 3 3 0 -12.1709493713337 3108507 CC(C)(C)NC(=O)C(=O)NNC(=O)C1=CC(=CC=C1)F 1 0.698 3 3 0 -11.7882865725671 3108506 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C(=O)NC(C)(C)C 1 1.893 3 3 0 -9.98590635527964 3108504 CC(C)(C)NC(=O)C(=O)NNC(=O)C1=CC=CC=C1 1 0.492 3 3 0 -13.4084672533658 3108446 CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=CC=C3C(=O)O 1 3.081 4 3 0 -3.60540662434548e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e-002 5 7 0 -23.1666339581117 3108260 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CNC(=O)NC2=O 1 -0.629 4 5 0 -17.0003544162878 3108210 CC1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2Cl)N3CCOCC3 1 3.513 2 2 -7.54730990287644 3108208 CC1=CC=C(C=C1)NC(=O)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC3 1 4.951 2 1 -4.33502239812167 3108201 CC1=C(C(=CC=C1)C)NC(=O)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCCC3 1 5.893 2 1 -5.08920473326278 3108188 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2CCCO2 1 1.777 2 4 0 -13.6403976750015 3108183 C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC2=NC=NN2)Cl 1 1.475 5 3 0 -8.35160184537941 3108181 C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CCC(=O)O 1 1.315 3 5 0 -9.27521354376649 3108173 CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C 1 2.75 2 4 -7.55506413333246 3108165 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=N2 1 2.086 3 4 0 -4.55840859305093 3108128 COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)CNC(=O)OCC3=CC=CC=C3 1 3.842 3 5 0 -15.5338365216217 3108125 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(C3=CC=CC=C3Cl)NCC(=O)OC 1 5.073 2 4 -9.884504777295 3108116 C1=CC=C(C=C1)OCC(CN=C2N(C3=CC=CC=C3S2)CC(COC4=CC=CC=C4)O)O 1 4.607 2 4 -3.53910814147335 3108106 CC1(C2CCC1(C(=O)N(C2=O)NC(=O)C3=CC=CC=C3O)C)C 1 1.889 2 4 0 -5.40525028880385 3108103 C1=CC(=CC(=C1)Cl)C(=O)NNC(=O)CCC(=O)O 1 0.717 2 4 0 -10.5095193155905 3108102 C1=CC(=CC(=C1)Br)C(=O)NNC(=O)CCC(=O)O 1 0.801 2 4 0 -12.5405624452124 3108090 C1=CC(=CC(=C1)NS(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)NC4=O)C(=O)O 1 1.81 2 5 0 -15.298784140501 3108052 COC(=O)CCCCCCCCCCN1CCCCC1 1 4.707 1 2 -8.08699606695923 3108051 CC(=CCCC1=CCC2C(C1)C(=O)NNC2=O)C 1 1.886 2 2 0 -4.54386292636008 3108027 COC(=O)C1=CC=C(C=C1)C(=O)OCCCC2=NC3=C(N2)C=C(C=C3)N 1 2.655 3 4 0 -3.89647026063553 3107993 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)OC4=CC(=C(C=C4)C(=O)O)C(=O)O 1 4.952 1 6 0 -3.09907816613384 3107977 CC(C)SC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C 1 2.625 4 4 0 -4.57289886427368 3107976 CCCSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C 1 2.771 4 4 0 -8.32770220767165 3107951 CCSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C 1 2.248 4 4 0 -7.29161273485719 3107944 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(COC4=CC=CC=C4)O 1 1.816 5 4 0 -3.57609027022623 3107942 CC(CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C)O 1 2.306 4 3 0 -12.9956109443292 3107890 CC1=[N+](C(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-] 1 1.962 1 3 0 -5.73090279847243 3107873 CNCC(COC1=CC=CC(=C1)OC)O 1 0.889 1 3 0 -3.12345299404822 3107866 CCCCNC1=NC(=NC(=N1)NC2=CC=C(C=C2)C)Cl 1 3.907 5 0 -2.52010070704026 3107863 CCCNC1=NC(=NC(=N1)NC2=CC=C(C=C2)Cl)Cl 1 3.629 5 0 -7.90039676975646e-002 3107858 C=CCNC1=NC(=NC(=N1)NC2=CC=CC=C2)Cl 1 2.709 5 0 -5.70461354643213 3107856 CCCCCCCNC1=NC(=NC(=N1)Cl)NCCO 1 2.673 5 1 -2.00751799727067 3107848 CC1CC(CC(C1)CO)CN 1 0.886 1 1 0 -0.494831529028809 3107839 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CCl)O)CC3=CC=CC=C3 1 2.515 4 3 0 -11.9939170022104 3107818 CCCCCC1=CC=C(C(=S)N1)C(=O)CCCC 1 4.445 1 1 -8.57056651111 3107791 COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)OCC3=CC=C(C=C3)[N+](=O)[O-] 1 2.309 3 7 0 -12.7181429431777 3107755 C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCCCN4C=CN=C4 1 1.66 5 5 0 -12.5889557918253 3107732 C1CCCN(CC1)C(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.457 3 6 0 -7.81588067830877 3107731 C1CCN(CC1)C(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.001 3 6 0 -7.81588067830877 3107727 CC1CCN(CC1)C(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.253 3 6 0 -10.5049902822132 3107688 COC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 2.108 1 6 0 -15.7701598999194 3107690 CN(CCO)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(C)CCO 1 0.864 4 6 0 -0.498102165196386 3107691 CC1=C(C=CC(=C1)Cl)OCC(=O)NCC2=CC=NC=C2 1 2.456 2 2 -4.99933060110469 3107676 CCN(CC)C(=O)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C5=CC=CC=C5C3=N2 1 4.988 3 1 -6.93186839061161 3107664 CCN(CC)C(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.299 3 1 -4.38983132448022 3107662 CCCNC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.268 3 1 -5.72243709716812 3107658 C1=CC=C(C=C1)C=NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N 1 5.861 2 1 3.64129987701978 3107639 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)F 1 3.034 2 2 -4.09252200925643 3107634 C1=CC=C(C=C1)NC(=O)C(=O)NCCCN2C=CN=C2 1 0.108 4 2 0 -9.19140710828901 3107627 C1CCC2C(C1)C(=O)N(C2=O)CC3=CC=CC=C3 1 2.462 1 2 -3.35141719091068 3107612 C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)O)C(=O)O)[N+](=O)[O-] 1 1.896 2 6 0 -6.52840726419151 3107587 CCP(=O)(CC)CCC1=CC=CC=C1OCCOC2=CC=CC=C2CCP(=O)(CC)CC 1 5.485 0 4 -3.80400738323325 3107585 C1=CC=C(C(=C1)OCCOCCOC2=CC=CC=C2P(=O)(O)O)P(=O)(O)O 1 1.642 0 9 0 -5.45391335906335 3107581 CC(C1=CC=CC=C1)C(=O)NC2=CC=CC=N2 1 2.5 2 1 -5.95673070070589 3107578 C1CCCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 1 3.446 3 2 -0.797950278580247 3107571 CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)NCCC2=CC=CC=C2 1 3.673 2 3 -18.466107788229 3107559 CN1C(=O)C=C(NC1=O)N(C)N=CC2=CC(=C(C=C2)OC)OC 1 1.153 4 4 0 -7.48353915778059 3107555 CCN(C1=CC(=O)N(C(=O)N1)C)N=CC2=CC=CS2 1 1.488 4 2 0 -5.47580512438972 3107554 CN1C(=O)C=C(NC1=O)N(C)N=CC2=CC=CS2 1 1.139 4 2 0 -5.69644044831439 3107553 CCN(C1=CC(=O)N(C(=O)N1)C)N=CC2=CC=CC=C2 1 1.534 4 2 0 -3.14269789221684 3107551 CCNC1=C(C(=O)N(C(=O)N1)C)N=O 1 -0.295 4 3 0 -5.84801179654942 3107550 CCCNC1=C(C(=O)N(C(=O)N1)C)N=O 1 0.229 4 3 0 -4.95890861125135 3107541 CC1(C(N2C(S1=O)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OCC(Cl)(Cl)Cl)C 1 1.835 2 5 0 -10.2460208120247 3107523 C1CCC2(C1)CC3CC(N2O3)C4=CC=CC=C4 1 2.425 1 1 1.24639889910956 3107511 CC1=CC=C(O1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54 1 4.704 1 2 -16.044733158997 3107510 CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=CO5)C(=O)C1)C 1 4.559 1 2 -16.9415715088357 3107437 C1=CC(=CC=C1CC(CC(=O)O)C(=O)NC2=C(C=CC(=C2)Cl)Cl)Cl 1 4.739 1 3 -4.94640356992563 3107433 CC(=O)OCC(C)(C1CC2=C(C3=CC=CC=C3N=C2O1)OC)O 1 2.159 1 5 -2.66907197953526 3107430 CC(=NNC(=O)C1=C(C=C(C=C1)O)O)CC(=O)NC2=CC(=CC=C2)Br 1 2.219 3 4 0 -0.795558156777818 3107424 CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NC2=CC3=CC=CC=C3C=C2 1 0.991 5 2 0 -9.61924776397694 3107423 CC(=NNC(=O)C1=CC(=C(C=C1)O)O)CC(=O)NC2=CC3=CC=CC=C3C=C2 1 2.379 3 4 0 -0.833695124436296 3107404 CC1=CC=C(C=C1)OCC(=O)NC(C)C2=CC=CC=C2 1 3.32 1 2 -9.27616230339561 3107401 CC(=NNC(=O)C(=O)NCCOC)CC(=O)NC1=CN=CC=C1 1 -1.637 5 4 0 -15.9260528944579 3107379 CC(C)C1=CC=C(C=C1)C2N(N=C(O2)C3=CN=CC=C3)C(=O)C 1 2.966 3 2 -4.5626292694375 3107378 CC1=CC=C(C=C1)C2N(N=C(O2)C3=CC=C(C=C3)C)C(=O)C 1 3.895 2 2 -4.0703504431048 3107369 CC1=CC=C(C=C1)C2=NN(C(O2)C3=CC=C(C=C3)Br)C(=O)C 1 4.157 2 2 -2.87869255540186 3107366 CC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.252 3 4 0 -12.194681689974 3107358 CC(=NNC(=O)COC1=CC=C(C=C1)Cl)CC(=O)NCCCN2CCOCC2 1 0.767 4 4 0 -11.2985432915295 3107353 CC(=NNC(=O)C1=CC=CC=N1)CC(=O)NC2=CC=C(C=C2)F 1 1.438 4 2 0 -9.73704046976637 3107352 CC(=NNC(=O)C1=CC=CC=N1)CC(=O)NC2=CC=CC=C2OC 1 1.216 4 3 0 -14.1490452397993 3107341 CC(=NNC(=O)C1=CC=CO1)CC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 2.679 3 3 -6.15342359025901 3107300 CC1=CC=C(C=C1)NC(=S)NC2C(OCCO2)OC(=O)C 1 2.794 2 4 -14.7877328146402 3107241 CC1(CC(=C(C(=O)C1)C2C3=CC(=CC(=C3OC4=C2C(=O)CC(C4)(C)C)Br)Br)O)C 1 4.971 0 4 -3.67213795454852 3107242 CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OCC(=O)N3CCCCCC3)OC)C 1 3.308 3 5 0 -38.1257697244483 3107256 COC1=C(C=C(C(=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-])OCC4=CC=CC=C4 1 5.92 3 4 0 -12.8237243381529 3107291 CC1CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 2.077 2 4 -15.4612845504836 3107290 CC1CCCN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.077 2 4 -15.7770718415841 3107289 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.077 2 4 -15.4524229305063 3107275 C1=CC=C2C(=C1)C=CC(=N2)NC3=CC=C(C=C3)Cl 1 4.132 2 0 7.55283199643385 3107271 CCN(CC)C(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 2.865 2 3 -10.0683021904325 3107237 CC1(CC(=O)C(C(=O)C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C5=CC=CC=C5C=C4)C 1 4.093 0 4 -9.50982055798597 3107224 CC1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=CC=C3 1 3.725 1 1 -10.8402858983947 3107223 C1=CC=C2C(=C1)C(=O)NC(O2)C3=C(C=C(C=C3)Cl)Cl 1 3.952 1 2 0.690030090328042 3107190 CCC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC=C(C=C3)Br 1 3.767 2 2 -2.92112710357644 3107187 CCC1=NN(C(C1)(C2=CC=C(C=C2)C)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.399 3 4 0 -5.27863937937537 3107186 CCC1=NN(C(C1)(C2=CC=C(C=C2)C)O)C(=O)C3=CC=C(C=C3)Cl 1 4.169 2 2 -0.354297248828826 3107165 C1CC(=C(C1)NNC(=O)C2=CC=NC=C2)C(=O)C(F)(F)F 1 1.326 3 2 0 -7.16364005243958 3107152 C1=CC=C(C(=C1)OCCNC(=O)C2=CC(=C(C=C2Cl)F)F)F 1 3.951 1 2 -5.5347554858741 3107151 C1=CC=C2C(=C1)C=CC=C2CC(=O)NCCOC3=CC=CC=C3F 1 3.818 1 2 -7.91324161919039 3107134 COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br 1 4.446 5 4 0 -14.3161249350585 3107122 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=CO3 1 4.787 2 4 -20.54784161002 3107108 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F 1 3.598 4 4 0 -19.9601856796076 3107107 C1=CC(=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)F 1 3.456 4 3 0 -13.641565759209 3107022 C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 4.597 5 2 0 2.91510731080267 3107026 C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 4.597 5 2 0 2.43118131014349 3107077 CC1=CC=CC=C1OCCNC2=C(C=CC(=C2)N3CCN(CC3)CCO)[N+](=O)[O-] 1 3.231 4 4 0 3.21537923257173 3107071 CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SCCO 1 1.846 3 3 0 0.672060004060461 3107069 CC1=NON=C1OCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.685 5 6 0 -8.28780757655551 3107068 CC1=NON=C1OCCNCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.058 5 4 0 -4.33998699684905 3107061 C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC=C3 1 4.244 3 3 -1.40254307366162 3107054 COC1=CC(=C(C=C1)C=NNC2=NC=C(C=N2)C3=CC=CC=C3)OC 1 3.039 4 2 0.83130045602799 3106945 C1=CC=C(C=C1)C2=CN=C(N=C2)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.966 5 2 0 -2.1740355507273 3106924 C1=COC(=C1)C=NNC2=NN=CN2N=CC3=CC=CO3 1 1.358 6 2 0 -4.41287155833809 3106910 CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=CC(=C4O)[N+](=O)[O-])[N+](=O)[O-])C(=O)C1)C 1 3.263 2 8 0 -10.9971586359915 3106810 C1COCCN1C2=NC(=O)N=C(N2)NN=CC3=CC4=C(C=C3)OCO4 1 1.168 6 4 0 -11.6175491100874 3106798 C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC(=CC=C3)[N+](=O)[O-])NCC4=CC=CC=C4 1 2.534 8 3 0 -6.80074172802729 3106779 C1CCN(CC1)C2=C(C=C(C=C2)C=NN3C(=NN=N3)N)[N+](=O)[O-] 1 1.554 8 2 0 -6.03535578716679 3106764 C1=CC=C2C(=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2 1 3.279 3 2 0.666889771152842 3106763 C1CCN(CC1)/C(=C(\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])/SC2=CC=CC=C2 1 5.44 2 2 7.96646199441928 3106751 C1=CC=C(C(=C1)C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-] 1 3.115 5 6 0 -6.89029383961962 3106720 C1=CC(=C(C=C1C2=CC(=C(C=C2)N)[N+](=O)[O-])[N+](=O)[O-])N 1 1.643 4 4 0 2.27192882878536 3106673 CC(=O)OCCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-] 1 1.504 2 6 0 -5.32071741856895 3106661 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C(=C3)Br)O)OC)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 4.276 4 4 0 -9.48199471065961 3106651 CC1=C(NC(=S)NC1C2=CC=CC=C2)C 1 2.983 2 0 -14.1297871486955 3106632 C1=CC(=CC=C1C2=NN=C(O2)CCCCCCCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] 1 4.899 6 6 0 -6.19198085365084 3106545 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCCCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 0.183 4 6 0 -11.4116754162532 3106540 C1=CC=C(C=C1)CCCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.749 2 3 -11.9626229027035 3106505 CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2Br)Br)Br)C(=S)N 1 4.562 5 1 3.08238892079288 3106500 CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)[N+](=O)[O-])C(=S)N 1 2.211 6 3 0 0.658116265328653 3106499 CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)NC(=O)C)C(=S)N 1 1.437 6 2 0 -1.88123820244704 3106497 CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)C(=S)N 1 3.54 6 3 0 -0.274847605601866 3106496 CC1=NN(C(=O)C1N=NC2=CC=CC3=CC=CC=C32)C(=S)N 1 3.225 5 1 3.22390858972252 3106494 CCOC1=CC=CC=C1N=NC2C(=NN(C2=O)C(=S)N)C 1 2.649 5 2 0 -0.705579161766964 3106493 CCOC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C(=S)N)C 1 2.649 5 2 0 1.57332469183372 3106492 CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)F)C(=S)N 1 2.522 5 1 3.46439107815114 3106491 CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)Br)C(=S)N 1 3.065 5 1 3.11785299817127 3106490 CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)[N+](=O)[O-])C(=S)N 1 2.211 6 3 0 0.334904334972323 3106487 CC1=NN(C(=O)C1N=NC2=CC=CC=C2OC)C(=S)N 1 2.3 5 2 0 1.19482808359562 3106486 CC1=NN(C(=O)C1N=NC2=CC=CC(=C2)C(=O)O)C(=S)N 1 1.946 5 3 0 0.898119642067826 3106484 CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)Cl)C(=S)N 1 2.981 5 1 5.14245045609143 3106473 CC1=CC(=C(C=C1)N=NC2C(=NN(C2=O)C(=S)N)C)C 1 3.289 5 1 1.81701956546494 3106472 CC1=CC(=CC=C1)N=NC2C(=NN(C2=O)C(=S)N)C 1 2.803 5 1 4.56428429214338 3106471 CC1=CC=CC=C1N=NC2C(=NN(C2=O)C(=S)N)C 1 2.803 5 1 2.00474974973746 3106470 CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)Cl)Cl)C(=S)N 1 3.645 5 1 4.79884687939861 3106448 CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(C(=N3)C)N=NC4=CC=C(C=C4)C(=O)N 1 3.884 6 2 0 1.29909585170606 3106406 CC1=C(C=C(C=C1)N=NC2C(=NN(C2=O)C(=S)N)C)Br 1 3.551 5 1 4.08345200918054 3106405 CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C(=S)N 1 1.022 6 3 0 -2.91788198115403 3106404 CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)Cl)Cl)C(=S)N 1 3.645 5 1 5.07947233276108 3106403 CC1=NN(C(=O)C1N=NC2=C(C(=CC=C2)Cl)C)C(=S)N 1 3.467 5 1 2.7570776721855 3106402 CC1=CC(=C(C(=C1)C)N=NC2C(=NN(C2=O)C(=S)N)C)C 1 3.775 5 1 4.88089619539172e-002 3106397 CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)N(C)C(=O)C)C(=S)N 1 1.643 6 2 0 -1.34596469183001 3106378 C1=CC=C(C=C1)N2C(=O)C(SC2=NN=CC3=CC=CO3)CC4=CC(=CC=C4)[N+](=O)[O-] 1 5.063 4 4 0 -9.25927796759436 3106357 CC1CCN(CC1)C(C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CO3 1 3.415 2 3 -12.0512267375664 3106356 C1CCC2=C(C1)C(=C(S2)NC(C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CO4)C#N 1 4.613 3 3 -21.466247100496 3106340 CC1(C(C1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C=C(Cl)Cl)C 1 3.118 2 3 -5.63253822392669 3106312 C1=CC=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=CC=N2 1 1.021 4 2 0 -15.1726477165343 3106303 C1=CC=C2C(=C1)C3=NC4=CC=CC=C4SC(C3C2=O)C5=CC=C(C=C5)Cl 1 5.71 1 1 -3.1165004954001 3106283 CC(C)(C)C1=CC(=C(C=C1)C(=O)O)C(=O)C2=CC=CC=C2 1 4.264 0 3 -0.115955580751689 3106268 CC1(CC(N(C(=S)N1)CC2=CC=CC=C2)(C)O)C 1 3.033 2 1 -1.44492794505902 3106262 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CNC(=O)C3=CC=CC=C3F 1 1.716 3 4 0 -15.985145775485 3106260 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CNC(=O)CCC3=CC=CC=C3 1 2.002 3 4 0 -17.8613861434075 3106249 CC1=CC(=NN1CC(=O)NCCCN2C=CN=C2)[N+](=O)[O-] 1 -7.8e-002 6 3 0 -17.826671693793 3106237 CC1=C(C(=NN1CC(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-])Cl 1 2.744 4 3 0 -14.7209712229697 3106236 CCN(CC)CCCNC(=O)CN1C(=C(C(=N1)[N+](=O)[O-])Cl)C 1 1.681 5 3 0 -17.0228145983684 3106231 CC1=CC(=NN1CC(=O)NCC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 1.685 4 4 0 -19.4518346379394 3106161 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(C3=CC=C(C=C3)Br)O 1 5.393 0 2 -2.57290385214569 3106097 CC1CC(=NO)C(CN1CCC2=CC=CC=C2)C 1 2.896 2 1 2.18297039938415 3106055 CC(CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C)O 1 2.199 4 3 0 -11.3154664632718 3106028 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)N=CN(C)C 1 2.11 3 3 -2.50374607972634 3106026 CCOC(=O)C1=C(C2=CC=CC=C2N1)N=CN(C)C 1 2.127 3 2 -3.70608614888172 3106024 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl)OC 1 6.064 5 5 0 -16.307265673654 3105912 CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC)C)O 1 3.006 1 5 -35.1664543730899 3105903 CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=N3)C(=O)OC 1 1.176 2 3 0 -32.0712499626584 3105786 CC(=NNC(=O)C1CCCCC1)CC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.712 3 4 0 -13.9877324062642 3105781 CC(=NNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)CC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.809 4 6 0 -15.0923468777232 3105780 CC(=NNC(=O)C1=CC=C(C=C1)N)CC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 1.504 4 4 0 -15.6903177044564 3105775 CC1=CC(=NC=C1)NC(=O)CC(=NNC(=O)C(=O)NC(C)C)C 1 0.246 5 3 0 -13.268935356681 3105774 CC1=CC(=CC=C1)NC(=O)C(=O)NN=C(C)CC(=O)NC2=NC=CC(=C2)C 1 1.582 5 3 0 -6.83142214394344 3105769 CC1=CC(=CC=C1)OCC(=O)NN=C(C)CC(=O)NC2=NC=CC(=C2)C 1 2.151 4 3 0 -5.16116485188029 3105767 CC1=CC(=NC=C1)NC(=O)CC(=NNC(=O)C2=CC=NC=C2)C 1 0.679 5 2 0 -7.88781189526823 3105762 CC1=CC(=NC=C1)NC(=O)CC(=NNC(=O)C2=C(C(=CC=C2)C)O)C 1 2.074 4 3 0 -4.20718746349889 3105756 CC1=CC(=NC=C1)NC(=O)CC(=NNC(=O)C2=CC(=CC=C2)F)C 1 2.035 4 2 -6.50755224377282 3105754 CC1=CC(=NC=C1)NC(=O)CC(=NNC(=O)C2=CC=C(C=C2)C(C)(C)C)C 1 3.23 4 2 -4.61411330372923 3105753 CC1=CC=C(C=C1)C(=O)NN=C(C)CC(=O)NC2=NC=CC(=C2)C 1 2.316 4 2 -7.6568660565117 3105752 CC1=CC(=NC=C1)NC(=O)CC(=NNC(=O)C2=CC(=CC=C2)C)C 1 2.316 4 2 -8.11669267750688 3105751 CC1=CC(=NC=C1)NC(=O)CC(=NNC(=O)C2=CC=CC=C2C)C 1 2.316 4 2 -9.94158580727714 3105747 CC(=NNC(=O)C1CCCCC1)CC(=O)NC2=CC=CC=C2NC(=O)C 1 1.537 4 3 0 -9.78653809184517 3105744 CC(=NNC(=O)C1=CC=NC=C1)CC(=O)NC2=CC=CC=C2NC(=O)C 1 -7.5e-002 5 3 0 -13.0018490990383 3105743 CC(=NNC(=O)C1=CN=CC=C1)CC(=O)NC2=CC=CC=C2NC(=O)C 1 -7.5e-002 5 3 0 -14.2676862991083 3105742 CC(=NNC(=O)C1=CC=CC=N1)CC(=O)NC2=CC=CC=C2NC(=O)C 1 0.353 5 3 0 -14.7662875666255 3105739 CC(=NNC(=O)C(=O)NCC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)N(C)C 1 1.39 5 3 0 -14.5998511883566 3105732 CC(=NNC(=O)CC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC=C(C=C2)N(C)C 1 2.119 4 4 0 -12.6964722863259 3105731 CC(=NNC(=O)CC1=CC=C(C=C1)OC)CC(=O)NC2=CC=C(C=C2)N(C)C 1 2.136 4 3 0 -8.71963556683273 3105729 CC(=NNC(=O)C(C1=CC=CC=C1)OC)CC(=O)NC2=CC=C(C=C2)N(C)C 1 1.908 4 3 0 -22.6189157345408 3105725 CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NC2=CC=C(C=C2)N(C)C 1 0.244 6 2 0 -14.35147785057 3105724 CC(=NNC(=O)C1=CC=NC=C1)CC(=O)NC2=CC=C(C=C2)N(C)C 1 0.966 5 2 0 -11.5141784032694 3105722 CC(=NNC(=O)C1=CC=CC=N1)CC(=O)NC2=CC=C(C=C2)N(C)C 1 1.395 5 2 0 -13.1102038738443 3105721 CC(=NNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CC=C(C=C2)N(C)C 1 2.676 5 4 0 -9.26364396331364 3105720 CC(=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])CC(=O)NC2=CC=C(C=C2)N(C)C 1 2.012 5 4 0 -12.793858353977 3105719 CC(=NNC(=O)C1=C(C=C(C=C1)OC)OC)CC(=O)NC2=CC=C(C=C2)N(C)C 1 2.084 4 4 0 -10.6644274620022 3105717 CC(=NNC(=O)C1=CC(=CC=C1)OC)CC(=O)NC2=CC=C(C=C2)N(C)C 1 2.101 4 3 0 -11.6602587260248 3105714 CC(=NNC(=O)C1=CC=CC=C1O)CC(=O)NC2=CC=C(C=C2)N(C)C 1 1.875 4 3 0 -6.81971426250183 3105712 CC(=NNC(=O)C1=C(C=C(C=C1)Cl)Cl)CC(=O)NC2=CC=C(C=C2)N(C)C 1 3.446 4 2 -6.5250412659593 3105711 CC(=NNC(=O)C1=CC=C(C=C1)Cl)CC(=O)NC2=CC=C(C=C2)N(C)C 1 2.782 4 2 -8.87746187603291 3105710 CC(=NNC(=O)C1=CC=CC=C1F)CC(=O)NC2=CC=C(C=C2)N(C)C 1 2.323 4 2 -12.0633502370817 3105709 CC(=NNC(=O)C1=CC=C(C=C1)F)CC(=O)NC2=CC=C(C=C2)N(C)C 1 2.323 4 2 -9.98758354115447 3105708 CC(=NNC(=O)C1=CC=C(C=C1)C(C)(C)C)CC(=O)NC2=CC=C(C=C2)N(C)C 1 3.518 4 2 -8.12132641750842 3105701 CC(=NNC(=O)C(=O)NC1CCCCC1)CC(=O)NC2=C(C=C(C=C2)OC)OC 1 1.47 4 5 0 -15.7021915041264 3105700 CC(C)NC(=O)C(=O)NN=C(C)CC(=O)NC1=C(C=C(C=C1)OC)OC 1 0.338 4 5 0 -18.6835403960286 3105697 CC1=C(C=CC=C1Cl)NC(=O)C(=O)NN=C(C)CC(=O)NC2=C(C=C(C=C2)OC)OC 1 2.339 4 5 0 -11.3363781685389 3105688 CC(=NNC(=O)CCC1=CC=CC=C1)CC(=O)NC2=C(C=C(C=C2)OC)OC 1 2.413 3 4 0 -14.0142556262343 3105684 CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NC2=C(C=C(C=C2)OC)OC 1 4.9e-002 5 4 0 -16.2588697761384 3105681 CC(=NNC(=O)C1=CC=CC=N1)CC(=O)NC2=C(C=C(C=C2)OC)OC 1 1.2 4 4 0 -15.0175957994127 3105678 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N)[N+](=O)[O-] 1 1.7 3 5 0 -9.20099139706362 3105677 CC(C)CNC(=O)C(=O)NN=C(C)CC(=O)NC1=CC=CC(=C1)C(F)(F)F 1 1.779 4 3 0 -7.64455959021628 3105672 CC(=NNC(=O)CC1=CC=CC=C1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.932 3 2 -2.19177952075558 3105671 CC(=NNC(=O)C)CC(=O)NC1=CC=CC(=C1)C(F)(F)F 1 1.233 3 2 0 -1.67448728801555 3105670 CC(=NNC(=O)C1CCCCC1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.359 3 2 -1.27176842783892 3105663 CC1=C(C=C(C=C1)NC(=O)CC(=NNC(=O)C2CCCCC2)C)Cl 1 3.568 3 2 -5.20572516355493 3105662 CC1=C(C=C(C=C1)NC(=O)CC(=NNC(=O)CC2=CC=CC=C2)C)Cl 1 3.14 3 2 -6.02834202994681 3105661 CC1=C(C=C(C=C1)NC(=O)CC(=NNC(=O)C2=CC(=CC=C2)O)C)Cl 1 2.863 3 3 -6.16503436118916 3105652 CC(=NNC(=O)COC1=CC=CC=C1)CC(=O)NC2=CC=CC3=C2CCCC3 1 3.303 3 3 -8.66168601584009 3105649 CC(=NNC(=O)CC1=CC=CC=C1)CC(=O)NC2=CC=CC3=C2CCCC3 1 3.503 3 2 -8.63701161046554 3105643 CC(=NNC(=O)C)CC(=O)NC1=CC=CC2=C1CCCC2 1 1.804 3 2 0 -8.11971937772551 3105641 CC(=NNC(=O)C1=CC=CC2=CC=CC=C21)CC(=O)NC3=CC=CC4=C3CCCC4 1 4.377 3 2 -8.27003527836854 3105621 CC(=NNC(=O)CC#N)CC(=O)NCC1=CC=CO1 1 -0.461 4 3 0 -18.5423253487445 3105619 CCC1=CC=C(C=C1)NC(=O)C(=O)NN=C(C)CC(=O)NCCOC 1 0.456 4 4 0 -16.819120810683 3105616 CC(=NNC(=O)C1CCCCC1)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 2.295 4 5 0 -8.17094101764454 3105601 CC1=CC=CC=C1NC(=O)C(=O)NN=C(C)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.493 4 5 0 -15.2026057534842 3105594 CC1=CC(=C(C=C1)OCC(=O)NN=C(C)CC(=O)NC2=CC3=C(C=C2)OCCO3)Br 1 2.811 3 5 0 -10.1760696823678 3105592 CC1=CC=C(C=C1)OCC(=O)NN=C(C)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.062 3 5 0 -10.3985089960916 3105591 CC1=CC(=CC=C1)OCC(=O)NN=C(C)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.062 3 5 0 -9.44650411117445 3105590 CC1=CC=CC=C1OCC(=O)NN=C(C)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.062 3 5 0 -10.3216517365478 3105589 CC(=NNC(=O)COC1=CC=CC=C1)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.576 3 5 0 -10.8867430080604 3105585 CC(=NNC(=O)CC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.743 3 6 0 -14.5768945307652 3105584 CC(=NNC(=O)CC1=CC=C(C=C1)OC)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.759 3 5 0 -10.4602199070504 3105583 CC(=NNC(=O)CC1=CC=C(C=C1)Cl)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.44 3 4 0 -8.22525500731943 3105581 CC(=NNC(=O)CC1=CC=CC=C1)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.776 3 4 0 -10.8620686026859 3105577 CCC(=O)NN=C(C)CC(=O)NC1=CC2=C(C=C1)OCCO2 1 0.743 3 4 0 -10.6201997827141 3105576 CC(=NNC(=O)C)CC(=O)NC1=CC2=C(C=C1)OCCO2 1 7.6e-002 3 4 0 -10.4421705964706 3105575 CC(=NNC(=O)C1=CC=CC=N1)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.019 4 4 0 -14.8507882140619 3105571 CC(=NNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.3 4 6 0 -11.1440662077529 3105564 CC(=NNC(=O)C1=C(C=C(C=C1)OC)OC)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.708 3 6 0 -12.5448497064415 3105563 CC(=NNC(=O)C1=CC=CC=C1OC)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.724 3 5 0 -14.1323955418468 3105559 CC(=NNC(=O)C1=CC(=CC=C1)O)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.499 3 5 0 -10.9987609339282 3105547 CC(=NNC(=O)C1=CC=CC=C1Cl)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.405 3 4 0 -12.6111632749739 3105544 CC(=NNC(=O)C1=CC=CC=C1F)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.946 3 4 0 -13.8039345772994 3105537 CC(=NNC(=O)C(=O)NC1CCCCC1)CC(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 2.135 4 5 0 -17.2036477730016 3105535 CC(=NNC(=O)CC1=CC=C(C=C1)Cl)CC(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 3.286 3 4 0 -10.6342139460457 3105533 CC(=NNC(=O)C(C1=CC=CC=C1)OC)CC(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 2.378 3 5 0 -25.7835571630568 3105532 CC(=NNC(=O)CC1=CC=CC=C1)CC(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 2.621 3 4 0 -12.4548985398937 3105528 CC(=NNC(=O)C1CCCCC1)CC(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 3.049 3 4 0 -11.7077155905199 3105527 CC(=NNC(=O)C1=CC=CS1)CC(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 2.54 3 4 0 -14.6940681799181 3105523 CC(=NNC(=O)C1=CC=CC=N1)CC(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 1.864 4 4 0 -16.4436181512697 3105519 CC(=NNC(=O)C(=O)NC1=CC=CC=C1OC)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 2.772 4 5 0 -12.702294823785 3105517 CC1=C(C=C(C=C1)NC(=O)C(=O)NN=C(C)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)Cl 1 3.939 4 4 0 -8.70563014878519 3105515 CC1=CC(=CC=C1)NC(=O)C(=O)NN=C(C)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 3.274 4 4 0 -7.50961477590121 3105514 CC1=CC=CC=C1NC(=O)C(=O)NN=C(C)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 3.274 4 4 0 -11.806315800857 3105506 CC(=NNC(=O)C1=CC=C(C=C1)NC(=O)C)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 2.642 4 4 0 -11.695330411293 3105493 CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)CC(=O)N3CCN(CC3)C=O 1 0.389 4 4 0 -4.17229234689461 3105492 CC(=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])CC(=O)N2CCN(CC2)C=O 1 -0.383 5 5 0 -11.8832087224234 3105491 CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])CC(=O)N2CCN(CC2)C=O 1 -0.383 5 5 0 -13.2190761115008 3105490 CC(=NNC(=O)C1=CC=C(C=C1)OC)CC(=O)N2CCN(CC2)C=O 1 -0.294 4 4 0 -10.2017771442103 3105487 CC(=NNC(=O)C1=CC=C(C=C1)Br)CC(=O)N2CCN(CC2)C=O 1 0.471 4 3 0 -9.42347198958076 3105486 CC(=NNC(=O)C1=CC=C(C=C1)Cl)CC(=O)N2CCN(CC2)C=O 1 0.387 4 3 0 -7.96681224447932 3105483 CC(=NNC(=O)C12CC3CC(C1)CC(C3)C2)CC(=O)NCC4=CC=C(C=C4)OC 1 2.837 3 3 -12.6922425472124 3105477 CC1=CC(=C(C=C1)OCC(=O)NN=C(C)CC(=O)NCC2=CC=C(C=C2)OC)Br 1 3.015 3 4 0 -10.506908282978 3105475 CC(=NNC(=O)COC1=CC=C(C=C1)Br)CC(=O)NCC2=CC=C(C=C2)OC 1 2.529 3 4 0 -10.7201660752727 3105473 CC1=CC(=CC=C1)OCC(=O)NN=C(C)CC(=O)NCC2=CC=C(C=C2)OC 1 2.267 3 4 0 -9.86797767513798 3105471 CC(=NNC(=O)COC1=CC=CC=C1)CC(=O)NCC2=CC=C(C=C2)OC 1 1.781 3 4 0 -11.4480544762456 3105469 CC(=NNC(=O)CC1=CC(=C(C=C1)OC)OC)CC(=O)NCC2=CC=C(C=C2)OC 1 1.947 3 5 0 -15.2267032092079 3105468 CC(=NNC(=O)CC1=CC=C(C=C1)OC)CC(=O)NCC2=CC=C(C=C2)OC 1 1.964 3 4 0 -11.8319920716976 3105458 CC(=NNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)CC(=O)NCC2=CC=C(C=C2)OC 1 2.504 4 5 0 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CC1=CC(=CC=C1)NC(=O)C2C3C=CC(C2C(=O)O)C3=C(C)C 1 2.883 1 3 -0.486616503713488 3104483 CC1=CC(=CC=C1)NC(=O)C2C(C2(Cl)Cl)C3=CC=CC=C3 1 3.912 1 1 2.38602874528332 3104475 CC1=CC(=C(C=C1)C)NC(=O)C2(CC3C4=CC=CC=C4C2C5=CC=CC=C35)C 1 5.81 1 1 -5.20939175569012 3104472 CC1=CC(=CC=C1)NC(=O)C2(CC3C4=CC=CC=C4C2C5=CC=CC=C35)C 1 5.323 1 1 -2.16374436102599 3104455 CCC1=CC=CC=C1N2C(=O)C3C4CC(=O)C(C3C2=O)C5=CC=CC=C45 1 2.924 1 3 -4.92638603962927 3104443 CC(C)(C)NCC(=O)NN=CC1=CC=C(C=C1)OCC2=CC=CC=C2 1 2.987 3 2 -9.83100722840642 3104442 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C(=O)NCC3=CC=CC=N3 1 0.789 4 4 0 -12.8549132118985 3104438 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC(=O)NN=CC4=CC(=CC=C4)Br 1 3.769 3 5 0 -18.4580710446998 3104432 CC(=O)NC1=CC=C(C=C1)OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1 2.193 4 8 0 -1.54468533335827 3104424 CC1=C([N+](=CC=C1)CC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C 1 4.106 2 2 -8.75227156176518 3104406 CC1=CC=C(C=C1)NNC2CC(=O)N(C2=O)C3=CC(=CC=C3)Cl 1 3.158 3 2 0.434435720608049 3104401 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3 1 3.392 4 4 0 -21.4677102725822 3104341 C1CC(OC1)CNC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N 1 0.729 5 2 0 -22.0090560563525 3104267 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.677 4 6 0 -4.62363428256443 3104189 CN(C)C=NC1=NN(CC1)C2=CC=CC(=C2)C(F)(F)F 1 2.487 4 0 5.10682674098264 3104174 CC1=CC=C(C=C1)C(=O)CC2C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4 1 6.049 2 2 -10.6219928471676 3104172 CCCCCOC1=C(C=C(C=C1)Br)C(=NNC2=NCCN2)C 1 3.591 4 1 -5.84685346560677 3104170 C1=CC=C(C=C1)C(=O)CC2C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4 1 5.563 2 2 -11.7106718767252 3104132 CC(=O)OC1=CC(=C(C=C1)OC(=O)C)SCCCCCCl 1 3.67 0 4 -7.20838748689891 3104116 CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C)O 1 2.759 5 4 0 -3.32729439403652 3104047 C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CN=CC=C6 1 2.649 2 2 -5.37854440342879 3104046 C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CCC(=O)O 1 1.953 1 4 0 -14.8876498662939 3103994 CCC1=NC(=NC2=CC=CC=C21)N=C(N)N 1 1.177 5 0 0 0.403924897747214 3103979 CCC(=O)N1C(CC(C2=CC=CC=C21)N(C3=CC=CC=C3)C(=O)CC)C 1 3.687 2 2 -9.39303677095746 3103957 CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=NC(=CS3)C4=CC=CC=C4 1 4.395 5 1 4.99880216826532 3103954 CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=S)N 1 1.946 5 3 0 -1.10031389044061 3103953 CC1=NN(C(=O)C1N=NC2=CC=CC=C2Cl)C(=S)N 1 2.981 5 1 3.68836866183432 3103952 CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C(=S)N 1 2.317 5 1 2.05641057976121 3103951 CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)Cl)C(=S)N 1 2.981 5 1 4.5745127432727 3103803 CN1CCN(CC1)CC(=O)N2CCN3C4=C(C=C(C=C4)C5CCCCC5)C6=C3C2CCC6 1 4.836 4 1 7.92549898231456 3103787 CC#CCNCC1=CC=CC=C1 1 2.509 1 0 -4.16997939427104 3103780 CCCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=CC(=O)N2)O 1 3.073 2 4 -16.2033326222613 3103764 CCNC1=NC(=NC(=N1)Cl)NNC(=O)C(C)OC2=CC=CC=C2 1 2.017 6 2 0 -7.82296831878469 3103717 C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C=C(N=C3[N+](=O)[O-])[N+](=O)[O-] 1 1.687 6 5 0 -8.43167507541909 3103713 CCOC(=O)CN1C=C(N=C1[N+](=O)[O-])[N+](=O)[O-] 1 0.848 4 6 0 -9.57144856062398 3103705 CCC(C)NC(=O)CN1C=C(N=C1)[N+](=O)[O-] 1 0.666 4 3 0 -15.5001610032898 3103704 C1=CC(=C(C=C1Cl)Cl)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C=C(N=C3)[N+](=O)[O-] 1 3.776 5 6 0 -6.02999763083076 3103695 CN(C)NC1CC(=O)N(C1=O)C2=CC=CC=C2 1 0.122 3 2 0 -5.0585483773534 3103607 C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.922 1 5 -2.81976429127262 3103555 C1CS(=O)(=O)CC1N=CC2=CC=C(O2)C3=CC=C(C=C3)Cl 1 3.227 1 3 1.81718445829598 3103540 CC1=C(NC(=O)NC1C2=CC=C(C=C2)OC)C(=O)OC 1 1.251 2 4 0 -15.554941789353 3103539 CCOC(=O)C1=C(C(NC(=O)N1)C2=CC=CC=C2OC)C 1 1.599 2 4 0 -16.9148532200948 3103527 CCOC(=O)C1=C(C(NC(=O)N1)C2=CC=CC=C2O)C 1 1.374 2 4 0 -11.8170446778144 3103521 CCOC(=O)C1=C(C(NC(=O)N1)C2=CC=C(C=C2)OC)C 1 1.599 2 4 0 -16.4219700105816 3103518 CCC(=O)NC(C(Cl)(Cl)Cl)NCC1CCCO1 1 1.799 2 2 0 -15.2745701106321 3103509 CCCC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=CC(=C1)C(F)(F)F 1 4.693 2 1 -18.5404780028576 3103501 CC(C)C(=O)NC(C(Cl)(Cl)Cl)NCC1CCCO1 1 2.262 2 2 -16.8709557716082 3103491 CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NCC1CCCO1 1 2.507 2 2 -18.0255765269303 3103485 CC1CN(CC(O1)C)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2 1 3.416 2 2 -16.2561431768484 3103481 CC1=CC=CC(=C1)C(=O)NC(C(Cl)(Cl)Cl)NCC2=CC=CO2 1 3.689 2 2 -13.713804376271 3103449 COCCCNC(C(Cl)(Cl)Cl)NC(=O)C1=CC=C(C=C1)OC 1 2.353 2 3 -14.8238343960114 3103436 COCCCNC(C(Cl)(Cl)Cl)NC(=O)C1=CC=C(C=C1)Br 1 3.117 2 2 -14.2143020902913 3103429 C1=CC=C(C=C1)CCNC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2 1 4.377 2 1 -12.5478145259684 3103413 COCCCNC(C(Cl)(Cl)Cl)NC(=O)C1=CC=C(C=C1)Cl 1 3.034 2 2 -13.1545795554868 3103401 C1CCCN(CC1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2Cl 1 5.011 2 1 -13.2507724499214 3103390 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)CNC(=O)C2=CC=C(O2)Br 1 1.858 2 7 0 -19.3512696845695 3103384 CC(C)(C)C1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(C)(C)C 1 4.696 2 6 0 -16.7732859461126 3103362 CC1=C(C(=NC(=C1[N+](=O)[O-])C)NCCC2=CC=CC=C2F)C#N 1 3.207 4 2 -3.1777620603946 3103361 CC1=C(C(=NC(=C1[N+](=O)[O-])C)NCC2=CC(=CC(=C2)OC)OC)C#N 1 2.647 4 4 0 -5.97141429179229 3103357 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=N3)C(=O)OC 1 1.634 2 3 0 -33.0813890078726 3103291 CCCCCCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)C 1 3.074 2 5 0 -32.872170036239 3103281 CCC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 1.283 3 5 0 -16.8136469447655 3103268 CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCCC(C)C 1 2.413 2 5 0 -34.5365111892632 3103253 CC1CCC(CC1)OC(=O)C2=C(NC(=O)NC2C3=CC(=C(C=C3)O)OC)C 1 2.916 2 5 0 -33.1844967595006 3103231 CCOCCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)C 1 1.051 2 6 0 -36.9223447932348 3103183 CCCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OCC3=CC=CC=C3 1 3.504 2 4 -31.5193943155192 3103182 CCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OCC3=CC=CC=C3 1 2.98 2 4 -32.8551894989154 3103180 CCSCCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)C 1 1.795 2 5 0 -37.6496200023909 3103133 CC1=C(C2(C(=O)C3=CC=CC=C3C2(N1)O)O)C(=O)OC(C)C 1 0.8 1 5 0 -13.3300656333688 3103108 CC1=CC(=NN1CC(COC2=CC=C(C=C2)OCC(CN3C(=CC(=N3)C)C)O)O)C 1 2.229 4 4 0 -6.03608405614259 3103096 CC1=CC=CC=C1NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O 1 2.469 2 3 -15.8190962726042 3103094 CC(C(=O)NC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 1.982 2 3 0 -14.1998535591564 3103089 CC1=CC(=CC=C1)NC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C 1 1.485 1 9 0 -19.7874626060396 3103088 CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=CC3=C2C=CC(=C3)[N+](=O)[O-] 1 1.716 2 9 0 -9.89783436148521 3103086 CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)OC(C)(C)C)NC(=O)CNC(=O)CNC(=O)OCC2=CC=CC=C2 1 3.313 3 7 0 -17.0802569627777 3103085 CC(C(=O)NCC(=O)NC(CC1=CC=C(C=C1)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2 1 3.797 3 7 0 -17.7654344286673 3103082 CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)OC(C)(C)C)NC(=O)CNC(=O)OCC2=CC=CC=C2 1 4.253 2 6 0 -14.5682828419113 3103081 CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)OC(C)(C)C 1 3.538 2 5 0 -25.5957079317026 3103072 CCC(C)C(C(=O)NC(C(C)CC)C(=O)N1CCCC1C(=O)N)NC(=O)C2CCC(=O)N2C(=O)OCC3=CC=CC=C3 1 2.383 5 7 0 -33.0509459464926 3103064 CC(C)CC(C(=O)N1CCCC1C(=O)N)NC(=O)C(C(C)C)NC(=O)C2CCC(=O)N2C(=O)OCC3=CC=CC=C3 1 1.859 5 7 0 -35.5978260546109 3103050 CCNC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C1CCC(=O)N1 1 -1.396 4 5 0 -25.4487936583253 3103049 CC(C)CC(C(=O)N)NC(=O)C(CO)NC(=O)C1CCC(=O)N1 1 -1.95 4 5 0 -23.9005680256358 3103042 CC(C)CC(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N)NC(=O)C2CCC(=O)N2 1 3.1e-002 5 5 0 -29.0556392600117 3103041 CCC(C)C(C(=O)OC)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C1CCC(=O)N1 1 -0.254 4 7 0 -35.5652999448029 3103037 CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CSC2CCCCO2)C(=O)NN 1 1.886 4 5 0 -22.6396819618621 3103034 CCC(C)C(C(=O)NC(C)C(=O)N)NC(=O)OC(C)(C)C 1 1.129 3 4 0 -21.0702728915276 3103032 CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)OC(C)(C)C 1 3.333 3 6 0 -25.354083565916 3103019 CC(C)CC(C(=O)NN)NC(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C 1 1.673 4 5 0 -23.0492982252492 3103010 CC(C)C(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C 1 2.775 3 4 0 -26.62171820796 3103003 CCOC(=O)CC(C(=O)OCC)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C 1 2.461 3 6 0 -27.4335340315974 3103000 CCOC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C 1 1.082 4 5 0 -29.4066668059247 3102999 CC(=O)NC(CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)NCC(=O)NCC(=O)O 1 0.507 4 5 0 -27.6946813600542 3102997 CC1(C2=C(C=CC(=C2)O)N(C1=O)C)CCCN(C)C(=O)OC 1 1.93 2 4 0 -0.394260812843883 3102995 C1C(C(C(C(O1)N2C=CC3=C2C=C(C=C3)[N+](=O)[O-])O)O)O 1 0.579 2 6 0 -5.20632523822061 3102992 C1=C(C(=O)NC(=O)N1)COCC(CCl)F 1 -0.153 2 3 0 -10.5412755521199 3102986 C1=CC=C(C=C1)C2NC(=S)N3N2C(=S)NC3C4=CC=CC=C4 1 4.583 4 0 -1.66591145803942 3102985 CC(=C)CNC(=S)NNC(=O)C1=CC=NC=C1 1 1.332 4 1 0 -11.3454527229038 3102904 CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)C 1 3.283 1 2 -7.20292851955998 3102899 CC1CCCC(N1C(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O)C 1 5.203 1 3 -6.54407860440502 3102863 CC1=NC=C2C(=C1)C3=CC=CC=C3C2(CCC#N)CCC#N 1 2.85 3 0 -2.86917645226737 3102829 CCCCCCC(=O)NC1=C2CCN(C2=NC3=CC=CC=C31)C 1 3.784 3 1 -7.74077739961328 3102735 CC(C)CCOC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)O 1 2.886 1 4 -10.4956378880673 3102733 C1=CC=C(C=C1)CC(=O)NC(CC(=O)O)C2=CC=CC=C2 1 2.414 1 3 -13.2326574682529 3102731 CC(C)COC1=CC=CC=C1C(=O)NC(CO)C(=O)O 1 1.291 1 5 0 -17.2468297037715 3102730 CC(C)OC1=CC=CC=C1C(=O)NC(CO)C(=O)O 1 0.825 1 5 0 -14.4668212179979 3102729 CCCOC1=CC=CC=C1C(=O)NC(CO)C(=O)O 1 0.971 1 5 0 -13.1560932650226 3102728 CCOC1=CC=CC=C1C(=O)NC(CO)C(=O)O 1 0.447 1 5 0 -14.4918884484188 3102721 CCCOC1=CC=C(C=C1)C(=O)CCCC(=O)C2=CC=C(C=C2)OCCC 1 5.357 0 4 -4.34715191607109 3102717 C1=CC=C(C=C1)C(=O)CCCCCCCC(=O)C2=CC=CC=C2 1 5.47 0 2 -3.74191024990762 3102700 CCCCCOC(=O)CN1C(=O)C2=C(N=C(N2C)N3CCOCC3)N(C1=O)C 1 1.163 5 5 0 -10.3938448675735 3102584 CCCCOC1=CC=C(C=C1)C(C(CN2CCCCC2)C3=CC=CC=C3)O 1 5.165 1 2 -3.12277417601258 3102572 C1COC2(O1)C3=C(C=CC(=C3)Br)N(C2=O)CC(=O)O 1 0.955 1 5 0 -10.834275653845 3102561 CC(=NNC(=O)C1=CC=CC=N1)CC(=O)NCC2=CC=CC=C2Cl 1 1.904 4 2 0 -16.5115938858806 3102560 CC(=NNC(=O)C1=CC=CC=C1OC)CC(=O)NC2=CC=CC=N2 1 1.327 4 3 0 -9.66570718955655 3102554 C1CCC(C(C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)O 1 3.868 1 3 0.688654669736398 3102549 C1=CC=C(C(=C1)CNC(=O)C(=O)NCC2=CC=CO2)Cl 1 1.74 2 3 0 -11.3040119880216 3102542 COC(=O)CCCNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] 1 1.771 2 6 0 -17.6314401055607 3102519 CCCOC1=CC=C(C=C1)C=NNC(=O)C(=O)NC2=CC=CC=N2 1 2.194 4 3 0 -6.46339693293146 3102518 COC1=C(C=C(C=C1)C=NNC(=O)C(=O)NC2=CC=CC=N2)OC 1 1.305 4 4 0 -10.0313461148159 3102490 CC(C)NC(=O)CC(=O)NN=CC1=CC=CC=C1F 1 1.339 3 2 0 -11.609750847951 3102486 CC(C)CNC(=O)CC(=O)NN=CC1=CC=C(C=C1)C(=O)OC 1 1.455 3 4 0 -13.962130591026 3102482 CC(C)CNC(=O)CC(=O)NN=CC1=CC=C(C=C1)F 1 1.805 3 2 0 -10.1650768001887 3102478 C=CCOC1=CC=C(C=C1)C=NNC(=O)CC(=O)NC2CCCCC2 1 2.866 3 3 -15.0627729186496 3102476 COC(=O)C1=CC=C(C=C1)C=NNC(=O)C(=O)NCC2=CC=CC=C2 1 1.811 3 4 0 -12.8718859114974 3102470 CC(=NNC(=O)C(=O)NCC1=CC=CC=C1)CCC2=CC=CC=C2 1 2.418 3 2 -11.4068900928132 3102469 COC1=C(C=C(C=C1)CCNC(=O)C(=O)NCC2=CC=CC=C2)OC 1 2.183 2 4 -14.5455969596049 3102461 C1=CC=C(C=C1)CCNC(=O)CC(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 2.207 4 4 0 -11.934090794681 3102458 C1=CC=C(C=C1)CCNC(=O)CC(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.207 4 4 0 -12.4563606196995 3102457 COC(=O)C1=CC=C(C=C1)C=NNC(=O)CC(=O)NCCC2=CC=CC=C2 1 2.168 3 4 0 -13.4471395977144 3102453 COC1=CC(=C(C=C1)OC)C=NNC(=O)CC(=O)NCCC2=CC=CC=C2 1 2.279 3 4 0 -10.8716457439656 3102452 CCOC1=CC=C(C=C1)C=NNC(=O)CC(=O)NCCC2=CC=CC=C2 1 2.644 3 3 -11.5411521931944 3102451 C1=CC=C(C=C1)CCNC(=O)CC(=O)NN=CC2=CC=C(C=C2)F 1 2.518 3 2 -9.65008580687704 3102449 CC1=CC=C(C=C1)C=NNC(=O)CC(=O)NCCC2=CC=CC=C2 1 2.798 3 2 -10.3619628323423 3102448 C1=CC=C(C=C1)CCNC(=O)CC(=O)NN=CC2=CC=CC=C2 1 2.312 3 2 -10.8269381114749 3102446 COC1=CC=CC=C1C=NNC(=O)CC(=O)NCC2=CC=CC=C2 1 1.975 3 3 0 -11.1598999538705 3102445 C1=CC=C(C=C1)CNC(=O)CC(=O)NN=CC2=C(C=C(C=C2)Cl)Cl 1 3.32 3 2 -6.96745389433733 3102442 C1=CC=C(C=C1)CNC(=O)CC(=O)NN=CC2=CC=CC=C2 1 1.991 3 2 0 -11.4184916233406 3102407 COCCNC(=O)C(=O)NC1=CC=C(C=C1)Br 1 0.921 2 3 0 -12.99526296404 3102401 CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.868 3 4 0 -8.30172463705572 3102363 CC(=NNC(=O)C(=O)NC1=CC(=CC=C1)Cl)CCC2=CC=CC=C2 1 3.075 3 2 -5.22159345689713 3102341 COC1=C(C=C(C=C1)C=NNC(=O)C(=O)N2CCCC2)OC 1 1.007 3 4 0 -13.7881993814048 3102340 COC1=CC=CC(=C1OC)C=NNC(=O)C(=O)N2CCCC2 1 1.007 3 4 0 -10.0069775650623 3102338 COC1=CC=C(C=C1)C=NNC(=O)C(=O)N2CCCC2 1 1.023 3 3 0 -9.9090158318255 3102336 C1CCN(C1)C(=O)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 0.934 4 4 0 -10.8997645880077 3102333 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C(=O)NCCC3=CC=CC=C3 1 2.045 3 4 0 -11.8628683675148 3102320 C1=CC(=CN=C1)CNC(=O)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 0.7 5 4 0 -13.5891814291123 3102318 C1=CC=C(C(=C1)C=NNC(=O)C(=O)NCC2=CN=CC=C2)[N+](=O)[O-] 1 0.7 5 4 0 -12.9958928336062 3102316 COC1=CC(=C(C=C1)OC)C=NNC(=O)C(=O)NCC2=CN=CC=C2 1 0.773 4 4 0 -12.0044665533784 3102315 COC1=C(C=C(C=C1)C=NNC(=O)C(=O)NCC2=CN=CC=C2)OC 1 0.773 4 4 0 -15.7869334004785 3102313 COC1=CC=C(C=C1)C=NNC(=O)C(=O)NCC2=CN=CC=C2 1 0.789 4 3 0 -11.9077498508992 3102312 COC1=CC=CC=C1C=NNC(=O)C(=O)NCC2=CN=CC=C2 1 0.789 4 3 0 -11.6301484809299 3102229 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C(C(F)F)(F)F 1 2.657 2 1 -8.80555137161921 3102214 COC1=CC=C(C=C1)NC(=NP(=O)(N2CCOCC2)N3CCOCC3)N4CCOCC4 1 -0.453 5 5 0 -7.40800529756626 3102210 CC1(CC2=C(C(NC(=O)N2C)C3=CC(=C(C=C3)OC)OC)C(=O)C1)C 1 1.933 2 4 0 -22.3560393947794 3102204 C1=CC=C(C=C1)C(C2=CC=CC=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.299 3 3 -14.2799698518228 3102165 CC1CC(C2=CC=CC=C2N1C(=O)C3=CC=CC=C3F)NC4=CC=CC=C4 1 4.705 2 1 -7.32528406854124 3102149 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCC3=CC=CC=C3 1 3.079 2 3 -3.89982894056751 3102134 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(COC4=CC=C(C=C4)OC)O 1 1.8 5 5 0 -3.64609903860113 3102107 CCCCOC1=CC=C(C=C1)C(=O)C(CN2CCOCC2)C3=CC=CC=C3 1 4.318 1 3 -7.95633250590843 3102106 CCCOC1=CC=C(C=C1)C(=O)C(CN2CCOCC2)C3=CC=CC=C3 1 3.862 1 3 -6.76474266797711 3102100 C1CCN(C1)CC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl 1 4.444 1 1 -1.46546867547118 3102039 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2=O)[N+](=O)[O-] 1 0.423 3 5 0 -15.4425858815153 3102038 CNS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2=O)[N+](=O)[O-] 1 0.217 3 5 0 -15.9237714843402 3102036 CCCNS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2=O)[N+](=O)[O-] 1 1.089 3 5 0 -15.6764867536398 3102035 C1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 3.105 2 6 0 -14.8620536469922 3102030 C1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC(=CC=C3)Cl)[N+](=O)[O-] 1 3.105 2 6 0 -15.3725355084947 3102023 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC(=CC=C2)[N+](=O)[O-])N(C)C(=O)C3=CC=CC=N3 1 3.744 4 4 0 -13.7571193925481 3102022 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])N(C)C(=O)C3=CC=CC=N3 1 3.744 4 4 0 -11.5832207581635 3102020 CC(=NNC(=O)CCCNC1=CC=CC=C1)C2=CC=NC=C2 1 1.743 4 1 0 -12.3751795838797 3102018 CC1=CC(=CC=C1)NCCCC(=O)NN=C(C)C2=CC=NC=C2 1 2.229 4 1 -9.49189351745782 3102015 C1=CC(=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-] 1 2.514 3 4 0 -5.12910976672278 3102012 C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.468 3 5 0 -11.3828194297858 3101991 C1=CC(=CC=C1C(=O)C(NC(=O)C2=CC=C(C=C2)F)O)F 1 2.584 1 3 -7.58652030778673 3101990 CCOC(=O)NC(C(=O)C1=CC=C(C=C1)F)O 1 1.706 1 4 0 -6.36709140468737 3101979 COC(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O 1 2.047 1 4 -9.15964245158404 3101966 CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC1=C(C2=C(S1)CCC2)C(=O)OC 1 4.572 2 3 -28.0397628728059 3101965 CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)NC1=C(C2=C(S1)CCC2)C(=O)OC 1 4.743 2 3 -28.9888207529443 3101964 CCC(=O)NC(C(Cl)(Cl)Cl)NC1=C(C2=C(S1)CCC2)C(=O)OC 1 3.864 2 3 -25.2887564565077 3101958 CCOC(=O)C1=C(SC2=C1CCC2)NC(C(Cl)(Cl)Cl)NC(=O)C(C)C 1 4.675 2 3 -26.4237714790995 3101955 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(C(Cl)(Cl)Cl)NC(=O)C 1 3.136 2 4 -21.8699854954349 3101947 CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC1=C(C2=C(S1)CCCC2)C(=O)OC 1 4.782 2 3 -27.1939522383685 3101937 CC(=O)NC(C(Cl)(Cl)Cl)NC1=C(C2=C(S1)CCCC2)C(=O)OC 1 3.653 2 3 -24.275540411537 3101881 CC1=CC=C(O1)C=NNC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 0.49 7 3 0 -3.81469084040592 3101880 CC1=C(C=C(C=C1)C2=CC=C(O2)C=NNC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5)Cl 1 3.305 7 3 0 9.015228909035e-002 3101852 CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC=C(C=C3)O 1 3.204 5 4 0 1.96631485883924 3101746 CC1=NC2=C(C(=C1)C(=O)OC)C(=O)C(=O)C=C2N3CCOCC3 1 0.622 2 5 0 -6.93625387259609 3101731 C1=CC(=CC=C1NC(=S)N)S(=O)(=O)C2=CC=C(C=C2)NC(=S)N 1 3.433 4 2 -9.64051478684095 3101697 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] 1 0.958 3 5 0 -23.0857060757416 3101693 COC1=CC=CC=C1NC(=O)NCCCl 1 1.595 2 2 0 -11.4047184812769 3101692 C1=CC=NC(=C1)CCNC(=O)C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 1 4.305 2 1 -9.03441094188683 3101611 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)SC(=NC3=CC=CC=C3)NC4=CC=CC=C4 1 5.349 3 2 3.32964706118434 3101610 CCOC(=O)CNC1CC(=O)N(C1=O)C2=CC(=CC=C2)Cl 1 1.2 2 4 0 -6.209912257207 3101599 CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(C(=N3)C)N=NC4=CC=CC=C4 1 4.882 5 1 5.57805345229496 3101589 CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(C(=N3)C)N=NC4=CC5=CC=CC=C5C=C4 1 5.79 5 1 7.8387529112802 3101587 CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(C(=N3)C)N=NC4=CC=CC(=C4)C 1 5.368 5 1 7.80960515533976 3101578 CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(C(=N3)C)N=NC4=CC=CC5=CC=CC=C54 1 5.79 5 1 6.74555146225627 3101576 CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(C(=N3)C)N=NC4=CC=C(C=C4)C 1 5.368 5 1 5.44783798300208 3101523 CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CN2CCN(CC2)CCC#N 1 4.368 3 1 1.42714852639934 3101522 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)C(C)(C)C)O 1 4.132 2 3 -4.96460589700408 3101511 CCCCNC(=O)N(C)C1=NC2=CC=CC=C2S1 1 3.106 3 1 -4.33612020536214 3101506 CN=C1N(C2=CC=CC=C2S1)CC(C3=CC=CC=C3)O 1 3.437 2 1 -1.44692727422943 3101503 CN1C=CSC1=NC(=S)NCC=C 1 1.753 3 0 0 -13.3584560133703 3101398 C1CC2C(C2(Cl)Cl)CCC3C1C3C(=O)NC4=CC=CC=C4 1 3.578 1 1 -4.33905625061638 3101357 C1CN(C2=CC=CC=C21)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.684 3 5 0 -10.5448368691163 3101356 C1CN(C2=CC=CC=C21)C(=O)C3=CC4=CC=CC=C4C=C3 1 3.803 1 1 -6.72528056705973 3101353 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.293 3 4 0 -5.87269624539062 3101346 CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 1.025 5 2 0 -7.32437888233261 3101343 CC(=NNC(=O)C1=CC=NC=C1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 1.747 4 2 0 -4.48707943503205 3101341 CC1=C(C=C(C=C1)NC(=O)CC(=NNC(=O)C2=CC=CO2)C)Cl 1 2.501 3 3 -7.62624826089107 3101339 CC1=C(C=C(C=C1)NC(=O)CC(=NNC(=O)C2=CC=NC=C2)C)Cl 1 1.955 4 2 0 -8.42103617074806 3101338 CC(=NNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)CC(=O)NCC2=CC=CO2 1 1.702 4 5 0 -13.2864682223966 3101330 CC(=NNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)CC(=O)NCC3=CC=CO3 1 2.673 3 3 -18.7069382014927 3101328 CC(=NNC(=O)COC1=C(C=C(C=C1)Cl)Cl)CC(=O)NCC2=CC=CO2 1 2.308 3 4 0 -11.2724028290103 3101324 CC1=CC=C(C=C1)OCC(=O)NN=C(C)CC(=O)NCC2=CC=CO2 1 1.465 3 4 0 -12.6807489149569 3101322 CC(=NNC(=O)CC1=CC=CC2=CC=CC=C21)CC(=O)NCC3=CC=CO3 1 2.087 3 3 -11.8855513312244 3101321 CC(=NNC(=O)CC1=CC=C(C=C1)Cl)CC(=O)NCC2=CC=CO2 1 1.843 3 3 0 -10.5074949261848 3101320 CC(=NNC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2)CC(=O)NCC3=CC=CO3 1 2.697 3 3 -9.26399144129867 3101319 CC(=NNC(=O)CC1=CC=CC=C1)CC(=O)NCC2=CC=CO2 1 1.178 3 3 0 -13.241702748076 3101305 CC(=NNC(=O)C1=C(C=C(C=C1)Cl)Cl)CC(=O)NCC2=CC=CO2 1 2.472 3 3 -10.5478655250423 3101298 CC(=NNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CC=CC=N2 1 1.902 5 4 0 -6.36912695422867 3101296 CC(=NNC(=O)C(=O)NC1=CC=CC=C1OC)CC(=O)NC2=CC=CC=N2 1 0.593 5 4 0 -11.7029393727569 3101295 CC1=C(C=CC=C1Cl)NC(=O)C(=O)NN=C(C)CC(=O)NC2=CC=CC=N2 1 1.76 5 3 0 -6.84426683958046 3101294 CCC1=CC=C(C=C1)NC(=O)C(=O)NN=C(C)CC(=O)NC2=CC=CC=N2 1 1.552 5 3 0 -8.46890583882155 3101293 CC1=CC(=CC=C1)NC(=O)C(=O)NN=C(C)CC(=O)NC2=CC=CC=N2 1 1.096 5 3 0 -6.43921637623812 3101292 CC1=CC=CC=C1NC(=O)C(=O)NN=C(C)CC(=O)NC2=CC=CC=N2 1 1.096 5 3 0 -10.7359174011939 3101285 CC(=NNC(=O)C1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC=CC=N2 1 1.311 4 4 0 -12.7759139071412 3101282 CC(=NNC(=O)C1=CC=CC=C1O)CC(=O)NC2=CC=CC=N2 1 1.101 4 3 0 -4.09361025042927 3101276 CC1=CC=C(C=C1)C(=O)NN=C(C)CC(=O)NC2=CC=CC=N2 1 1.83 4 2 0 -7.80494355753476 3101275 CC(=NNC(=O)C1=CC=CC=C1)CC(=O)NC2=CC=CC=N2 1 1.343 4 2 0 -8.76900412205651 3101270 CC(=NNC(=O)C1=CC=CO1)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 1.228 4 6 0 -10.5914641149807 3101269 CC(=NNC(=O)C1=CC=CS1)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 1.786 4 5 0 -11.2327275240608 3101268 CC(=NNC(=O)C1=CC=NC=C1)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 0.682 5 5 0 -11.3862520248377 3101245 C1C=NN(C1(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=C(C=C3)Cl 1 3.602 2 2 -2.02546092803459 3101232 COCCNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3 1 2.863 3 4 0 -17.1498666900706 3101228 CCC(=O)NCC(=O)OCC(=O)C1=CC=CC=C1 1 1.003 1 4 0 -16.1036737358379 3101222 CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC(=O)O)CC(=O)O)C 1 1.368 1 6 0 -7.80671945842738 3101220 C1=CC=C(C=C1)S(=O)(=O)NCC23C=CC(O2)C4C3C(=O)N(C4=O)C5=CC=C(C=C5)Cl 1 1.924 2 5 0 13.0691360713318 3101216 COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.144 2 6 0 -13.2073893392043 3101215 CC(C(=O)NN)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 -0.519 4 5 0 -14.2461259531391 3101214 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)NN 1 -1.838 4 4 0 -14.8497145876131 3101201 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NN 1 0.569 3 3 0 -9.52871042885008 3101194 CC1=CC(=C(C=C1)C)NC(=O)C(CC2=CC(=CC=C2)OC)CC(=O)O 1 3.702 1 4 -9.14590487736192 3101192 CC1=CC(=C(C=C1)C)NC(=O)C(CC2=CC=CC=C2)CC(=O)O 1 3.718 1 3 -9.27722511038421 3101191 C1CC(OC1)C(CC(=O)O)C(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.394 1 4 -11.2547046327932 3101178 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CC4=CC=CC=C4 1 2.997 5 3 0 -18.1398876635126 3101175 CCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C 1 3.233 4 2 -12.4183942553617 3101121 COC1=CC=CC=C1NCC(CN2C3=CC=CC=C3C4=CC=CC=C42)O 1 4.459 2 2 2.33296177014109 3101096 CC1=C(C(NC(=O)N1)C2=CC=CO2)C(=O)NC3=CC=CC=C3 1 1.282 3 3 0 -30.1189709911997 3101085 CCC1=NNC(=O)C(C2=CC(=C(C=C21)OC)OC)CC(=O)NC3=CC=CC=C3 1 2.298 3 4 0 -20.1549387466567 3101066 CCC(=NNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C)C 1 1.774 6 2 0 -11.6354690265667 3101031 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.252 3 4 0 -6.86025833808919 3101012 CCCCC(=O)NC1=NN=C(S1)CCC2=CC=CC=C2 1 3.419 3 1 -15.0328789066602 3101011 CCCCC(=O)NC1=NN=C(S1)CCOC 1 1.249 3 2 0 -15.9788898304447 3100952 CC1(CC2=C(CO1)SC3=C2C(=O)NC(=N3)NN=CC4=CC=CC=C4)C 1 2.796 4 2 -21.66059088798 3100936 C1C2(CN3CN1CN(C2)C3)C(=O)C4=CC=C(C=C4)Br 1 2.029 3 1 -3.98688172880226 3100934 CCOC(=O)C(=CC1=CN(C2=C1C=C(C=C2)S(=O)(=O)N(C)C)C)C(=O)OCC 1 2.282 2 6 0 -5.71179053872624 3100928 CC1=NN=C(S1)NC(=O)C2CCCCC2 1 1.811 3 1 0 -7.0402661766416 3100798 C1C(OC2=CC=CC=C2O1)CNCC3COC4=CC=CC=C4O3 1 2.71 1 4 -4.39516948565741e-003 3100752 C1C(CN(CN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)(CNC(=O)C4=CC=CC=C4)[N+](=O)[O-] 1 2.958 4 5 0 -11.1777985959253 3100742 C=CCOC1=CC=C(C=C1)C2=NNC(=S)O2 1 3.143 2 2 -9.50878199071017 3100737 CCCCCCC1CC(C(=O)O1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.692 2 5 0 -8.05818481159344 3100725 CCCCCOCC(CCC(=O)NN)O 1 0.256 2 3 0 -6.97376273192593 3100721 CC(C)CCC(CC(C)(C)O)C(=O)NNC(=S)NCC=C 1 2.935 3 2 -16.3275936587228 3100720 CCCCC(CC(C)(C)O)C(=O)NNC(=S)NCC=C 1 2.683 3 2 -15.9548629789918 3100719 CCCCCC1CC(C(=O)O1)CC(=O)NC(=S)NC2=CC=CC=C2Cl 1 5.158 2 3 -8.2917526051905 3100713 CCCC1CC(OC1=O)(C)C(=NNC(=S)N)C 1 1.89 3 2 0 -6.88896709704921 3100710 CC(=NNC(=S)N)CCC1CC(OC1=O)(C)C 1 1.266 3 2 0 -9.61640876752312 3100708 CCCCCC1CC(C(=O)O1)CC(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] 1 4.388 3 5 0 -11.391254503443 3100707 CCCCCC1CC(C(=O)O1)CC(=O)NC2=NN=CS2 1 1.815 3 3 0 -10.0390385713143 3100701 CCC(CCC(=O)O)(C1=CSC(=N1)NC2=CC=C(C=C2)C)C(=O)OCC 1 3.864 2 4 -4.80947862182446 3100695 CC(C)OCC1CC(C(=O)O1)CC(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.742 3 6 0 -9.54288786778089 3100693 CCCCC(CCC(=O)O)(C1=CSC(=N1)NC2=CC=C(C=C2)C)C(=O)OCC 1 4.776 2 4 -5.48190871791002 3100692 CC(C)CCOCC(CCC(=O)NNC(=S)NCC=C)O 1 1.748 3 3 0 -17.8685566617247 3100691 CC(C)CCOCC(CCC(=O)NNC(=S)NC1=CC=CC=C1)O 1 2.985 3 3 -12.141854394052 3100690 CC(C)COCC(CCC(=O)NNC(=S)NC1=CC=CC=C1)O 1 2.597 3 3 -12.5041683592339 3100672 CCCCN1C(=O)/C(=C/2\N(C3=C(S2)C=CC(=C3)OC)CC)/SC1=S 1 5.372 2 2 -3.20114918320106 3100669 CCCCN1C(=O)/C(=C/2\N(C3=C(O2)C=CC(=C3)C4=CC=CC=C4)C)/SC1=S 1 6 2 2 -0.20499710338087 3100656 CCN\1C2=C(C=CC(=C2)OC)S/C1=C\3/C(=O)N(C(=S)S3)NC(=O)C 1 3.213 3 3 -4.32424580466824 3100655 CCN\1C2=CC=CC=C2S/C1=C\3/C(=O)N(C(=S)S3)NC(=O)C 1 3.229 3 2 -4.87232818134391 3100654 CC(=O)NN1C(=O)/C(=C/2\N(C3=C(S2)C=CC(=C3)OC)C)/SC1=S 1 2.864 3 3 -3.69388686111446 3100596 CC1=CC2=C(C(=C1O)C)C(=O)C3=CC=CC=C3S2 1 4.253 0 2 3.80848921110943 3100539 CC(C)CCOC1=CC=C(C=C1)C2CC(=O)N(C2=O)C 1 2.472 1 3 -5.7145196991096 3100490 C1=CC=NC(=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-] 1 2.524 4 6 0 -2.95304358349208 3100477 C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N)Cl 1 3.477 5 3 0 -7.15325875204235 3100452 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NN=CC3=CC=CC=C3OC 1 2.88 3 3 -8.27609161423439 3100410 CC1=C(C=C(C=C1)N/C=C\2/C3CCC(C2=O)(C3(C)C)C)C 1 4.3 1 1 -4.98343214128588 3100400 CC1(CC(=NN1C(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)O 1 3.732 2 2 0.682439478435659 3100399 CC1(CC(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)O 1 2.962 3 4 0 -0.58563936670402 3100395 COC1=C(C=C(C=C1)CCNC(=O)C(=O)NN=CC2=CC=CS2)OC 1 2.198 3 4 0 -15.1257587539669 3100384 CCCCOC1=CC=C(C=C1)C(CC(=O)NC)C(=O)O 1 2.026 1 4 -10.454136382007 3100254 C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)CCCCCCCN3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O 1 2.813 2 8 0 -7.43046484550664 3100257 CCCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.365 2 4 -9.03789769602797 3100298 C1=C(SC(=C1)Cl)C(=O)NCCCCNC(=O)C2=CC=C(S2)Cl 1 3.361 2 2 -4.62301854026087 3100285 CC1(CC2=CC=CC=C2C(=N1)NC(CC3=CNC4=CC=CC=C43)C(=O)O)C 1 3.77 3 2 -8.36764390896949 3100281 CCOC(=O)/C(=C/1\C2=CC=CC=C2CC(N1)(C)C)/C(=O)NC3=C(C=C(C=C3)Cl)Cl 1 4.468 2 3 -5.60732578503045 3100251 CC(CNC(=O)C1=CC=C(C=C1)N)NC(=O)C2=CC=C(C=C2)N 1 0.779 4 2 0 -10.7443683325381 3100223 CCCOC1=C(C=C(C=C1)CC(=O)NNC(=S)NC2=CC=CC=C2)Br 1 4.913 3 2 -7.83421048049209 3100217 CCCCOC1=CC=C(C=C1)CNC(=O)NS(=O)(=O)C2=CC=C(C=C2)OCC(C)C 1 4.592 2 5 0 -12.3671731435965 3100210 CCCOC1=C(C=C(C=C1)CN2C(=NC(=C2SCC(COC)O)[N+](=O)[O-])C)[N+](=O)[O-] 1 2.976 4 7 0 -9.19083986627462 3100204 CCOC1=C(C=C(C=C1)CN2C(=NC(=C2SCC(CCl)O)[N+](=O)[O-])C)[N+](=O)[O-] 1 3.248 4 6 0 -8.5731777543395 3100203 CN1C=NC(=C1SCC(CCl)O)[N+](=O)[O-] 1 1.177 3 3 0 -4.72815175600156 3100202 CC1=NC(=C(N1)[N+](=O)[O-])SCC(CCl)O 1 1.232 3 3 0 -6.00233761273895 3100200 CC1=NC(=C(N1)[N+](=O)[O-])SCC(CO)O 1 2.7e-002 3 4 0 -6.5490137610411 3100199 COC(=O)NC(=S)NC1=CC(=C(C=C1)OC2=CC=C(C=C2)Cl)Cl 1 5.634 2 3 -4.36759841550546 3100197 C1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])Cl)N 1 2.721 3 2 0.628504545206456 3100156 C1=CC=C(C(=C1)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])O 1 2.999 2 5 0 1.07683498389401 3100109 C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])NCC5=CC=CC=C5 1 3.739 8 4 0 -2.95485570175248 3100043 CC1=CC(=C(C=C1C2=CC=C(O2)C=NNC(=O)CN3C(=NN=N3)N)C)[N+](=O)[O-] 1 1.712 8 4 0 -14.953705769428 3100036 CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2)N(C(=O)C)C(=O)C 1 3.323 2 4 -7.87971594589029 3099947 CC1=CC(=C(C=C1)N2C(=O)C(C(=N2)C)C(C3C(=NN(C3=O)C4=C(C=C(C=C4)C)C)C)C5=CC(=CC=C5)O)C 1 5.33 4 3 0 3.71032059199015 3099946 CC1=CC(=C(C=C1)N2C(=O)C(C(=N2)C)C(C3C(=NN(C3=O)C4=C(C=C(C=C4)C)C)C)C5=CC=CC=C5O)C 1 5.33 4 3 0 4.68880527391334 3099944 CC1=CC(=C(C=C1)N2C(=O)C(C(=N2)C)C(C3C(=NN(C3=O)C4=C(C=C(C=C4)C)C)C)C5=CC=CC=C5)C 1 5.572 4 2 2.17461115332476 3099940 COC1=NC(=NC(=N1)NN=CC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])N4CCOCC4 1 2.803 7 5 0 -5.00938293971539 3099856 CCCCCCCCC1=NN=C(S1)NC(=O)C2=CC=CO2 1 4.148 3 2 -11.0879867328282 3099851 CCCCC(=O)NC1=NN=C(S1)C2=CC=C(C=C2)OC 1 2.912 3 2 -10.705015336787 3099832 CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=CC=C3 1 3.534 3 1 -11.7343146821443 3099761 CN1C(=O)C(=CC2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])C(=O)N(C1=O)C 1 1.332 4 5 0 -9.55713939894579 3099740 CCN1C(=O)C2=C3C(=C(C=C2)N)C=CC=C3C1=O 1 1.373 2 2 0 0.598256464971181 3099735 CC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)SC5=CC=CC=C5NC(=O)C)C=CC=C4C2=O 1 5.072 2 3 -8.21894353809452 3099480 CC(=O)ON=C(C1=NON=C1N)N(C)C 1 -0.841 5 3 0 -7.42063135208581 3099479 CN(C)C(=NOC(=O)C1=CC=CC=C1)C2=NON=C2N 1 0.824 5 3 0 -7.20245358145459 3099471 C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=C(C=C3)N)[N+](=O)[O-] 1 1.646 4 3 0 -7.8473276739395 3099462 C1CCC2(C(C1)C3(C(=[N+]2[O-])CCC4=NON=C43)O)N5CCOCC5 1 -6.9e-002 4 4 0 -3.09526128795161 3099445 CC1=CC(=NN1CC(=O)NCCCN2CCOCC2)[N+](=O)[O-] 1 7.e-003 5 4 0 -21.7075820875153 3099436 CC1=C(C(=NN1CC(=O)NCCCN2CCOCC2)[N+](=O)[O-])Cl 1 0.671 5 4 0 -17.7020762044552 3099435 CCC(C)NC(=O)CN1C(=C(C(=N1)[N+](=O)[O-])Cl)C 1 2.033 4 3 0 -17.8923414171254 3099411 CC1=NC(=NC(=C1)C2=CC=CC=C2)NN=CC3=CN=CC=C3 1 2.632 5 0 -0.433758004694197 3099405 COC1=CC(=C(C=C1)C=NNC2=NC=CN=C2Cl)OC 1 1.89 4 2 0 1.91487853663316 3099362 CC1=CN(N=C1)C2=CC(=NC=N2)NN=CC3=CC=CC=C3Cl 1 3.488 6 0 4.52424072069304 3099351 CC(=NNC1=NC(=CC(=N1)Cl)N)C2=CC(=C(C=C2)Cl)Cl 1 3.529 5 0 -3.10502246888452 3099350 COC1=C(C=C(C=C1)C=NNC2=NC(=CC(=N2)Cl)N)OC 1 2.187 5 2 0 -8.01339684704616 3099302 CC1=NC(=CC(=N1)NN=C(C)C2=CC=C(C=C2)Br)N3CCCCC3 1 3.875 5 0 -1.72507162664669 3099276 CC(=NNC1=NC=C(C=N1)Br)C2=CC=C(C=C2)Br 1 3.031 4 0 -4.19267215335966 3099275 CC(=NNC1=NC=C(C=N1)Br)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.177 5 2 0 -6.13419906224718 3099250 C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C(C(=C(C=C3Br)Br)O)Br 1 5.75 4 1 1.41572278250842 3099239 CC1=CC(=C2C(=C1)C3(C(=O)N2)OCCO3)Br 1 1.754 1 3 0 -5.55080416590002 3099203 COC1=C(C=CC(=C1)C=NNC(=O)C(=O)NC2=CC=CC=N2)OCC=C 1 1.922 4 4 0 -15.0917408466019 3099200 CCCOC1=C(C=C(C=C1)C=NNC(=O)C(=O)NC2=CC=CC=N2)OCC 1 2.526 4 4 0 -10.6645913888691 3099197 COC1=CC=C(C=C1)C=NNC(=O)CC(=O)NCC2=CN=CC=C2 1 0.824 4 3 0 -13.0745570489819 3099153 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC2=C(C=C(C=C2Cl)Cl)Cl 1 4.524 3 3 -3.38662877446806 3099054 CC1=CC(=NN1C2=NN=C(C=C2)N3CCOCC3)C 1 1.174 5 1 0 -5.11593504562406 3099052 CN(CC1=CC=CC=C1)C(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.241 2 4 -4.1179558664751 3099051 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.589 4 6 0 -14.3175605779103 3099031 CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)Cl 1 2.34 2 2 -13.0429343608306 3099014 C1=CC(=C(C=C1[N+](=O)[O-])C=NNC(=O)CN2C(=NN=N2)N)Cl 1 0.199 8 3 0 -14.7220908990178 3098984 CC1=CC(=C(C=C1C2=CC=C(O2)C=NC3=C(C4=C(S3)CCCC4)C#N)C)[N+](=O)[O-] 1 6.546 3 3 -5.67759118759024 3098952 CN(C)C1=NC(=NC(=N1)NN=CC2=CC=C(C=C2)Cl)NCC3=CC=CC=C3 1 3.616 7 0 0 -2.83262987459586 3098935 C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=CC(=CC(=C4O)[N+](=O)[O-])[N+](=O)[O-])S3 1 3.548 4 6 0 -3.82929006808214 3098905 C1C(C1C(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3 1 2.143 3 4 0 -11.54727287866 3098878 C1=CC=C(C(=C1)NC(=O)CCCC(=O)NN=CC2=C(C=CC=C2Cl)F)Br 1 4.093 3 2 -14.1340063750256 3098870 COC1=CC=C(C=C1)C=NNC(=O)C(=O)NCC2CCCO2 1 0.715 3 4 0 -14.9675727640181 3098857 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.513 4 4 0 -8.51777583248842 3098850 CC1=C(C=C(C=C1)NC(=O)C2CCC(=O)N2)C 1 1.373 2 2 0 -9.99765343669603 3098847 CC1=C(C=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C 1 5.249 2 3 -11.7058034590169 3098837 CCC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3O 1 2.777 2 3 0.69369521248952 3098831 C1=COC(=C1)C=NNC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.505 3 4 0 -10.0617050103397 3098825 CC(C)(C)NC1=NC(=NC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])NC(C)(C)C 1 2.851 7 2 0 -7.91703524885188 3098751 C1=CC=C(C=C1)CC2C(=O)N(C(=NC3=CC=CC=C3)S2)C4=CC=CC=C4 1 5.704 2 1 -2.71920050911646 3098749 CC1=CC=C(C=C1)CC2C(=O)N=C(S2)NN=CC3=CC=CO3 1 3.872 3 2 -4.13086289933639 3098748 C1=CC=C(C=C1)CC2C(=O)N=C(S2)NN=CC3=CC=CO3 1 3.386 3 2 -5.04307203064077 3098725 C1CCN(CC1)C2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 3.893 2 4 -10.3440415370084 3098621 CCN(CC)CCCN=CC1=C(C2=C(CC1)C(=C(S2)NC(=O)C)C(=O)OCC)SC3=CC=CC=C3 1 4.895 3 3 -12.9050722672407 3098581 CC1=CC(=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3CC(=O)NC4=CC=CC=C43)[N+](=O)[O-])C 1 3.938 5 6 0 -11.7251056420558 3098563 COC1=CC=C(C=C1)C2=NN(C(C2)C3=NC4=CC=CC=C4N3)C(=O)CN5CCOCC5 1 2.244 5 3 0 -11.2436231795799 3098508 CC1=CC=C(C=C1)CC(=O)NN=CC2=CC=CC=C2OCC=C 1 3.804 2 2 -8.47573212544967 3098501 C1=CC=C(C=C1)CC(=O)NN=CC2=CC=CC=C2OCC3=CC=C(C=C3)Cl 1 4.949 2 2 -2.47442000909802 3098495 CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=C3O 1 4.359 2 4 -6.7310276782587 3098494 COC1=CC=CC=C1C=NNC(=O)COCC(=O)NN=CC2=CC=CC=C2OC 1 1.427 4 5 0 -5.70956777929473 3098479 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CN=CC=C3 1 3.154 3 4 0 -15.3450521679176 3098467 CC(C)(C)C(=O)NC1=CC2=C(C=C1)OCCOCCOC3=C(C=C(C=C3)NC(=O)C(C)(C)C)OCCOCCO2 1 4.303 2 8 0 -15.4900722220453 3098411 CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCCCBr 1 1.705 2 5 0 -30.1577738508968 3098386 CN(C)CC(CCCCC(CN(C)C)C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2 1 5.114 2 2 -3.29887530855033 3098380 CC12CNCC(C1=O)(CN(C2)C3(C4=C(C=CC(=C4)Br)NC3=O)O)C 1 1.152 3 3 0 -7.28218314795744 3098377 CCC(C)NC1=NC(=NC(=N1)NCC)ON=C(C)C 1 1.715 6 1 0 -7.50106097745569 3098376 CCC(C)NC1=NC(=NC(=N1)NCCOC2=CC=CC=C2)Cl 1 3.398 5 1 -5.69049870646625 3098373 CCCOC1=C(C=C(C=C1)C2=CN3C=CC=CC3=N2)[N+](=O)[O-] 1 3.267 3 3 -1.76339533655278 3098372 CCCCCCOC1=C(C=C(C=C1)C(=NNC2=NCCN2)C)[N+](=O)[O-] 1 3.193 5 3 0 -9.95610459844295 3098371 CCCCCCOC1=CC=C(C=C1)C(=NNC2=NCCN2)C 1 3.299 4 1 -8.05536983246324 3098329 CCN\1C2=CC=CC=C2S/C1=C\3/C(=O)N(C(=NC4=NC=NN4)S3)CC 1 3.649 6 1 0 -4.63885952414855 3098312 COC1=CC(=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C#N)OC 1 2.861 2 3 -16.0945098119096 3098286 CC1=CC=C(O1)C(=NNC(=O)C2COC3=CC=CC=C3O2)C 1 1.977 2 4 0 -1.48625178464495 3098256 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-] 1 1.66 4 6 0 -9.21923937901368 3098252 CC1(C2CCC1(C(=NOC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C2)C)C 1 3.525 2 4 -2.04777734402921 3098251 CC1(C2CCC1(C(=NOC(=O)C3=CC=C(C=C3)F)C2)C)C 1 3.836 1 2 2.88298972821943 3098249 CC1=CC=CC(=C1)C(=O)ON=C2CC3CCC2(C3(C)C)C 1 4.116 1 2 1.56033870666341 3098234 CCN1/C(=C\2/C(=O)N(C(=S)O2)CC)/C=CC3=CC=CC=C31 1 3.267 2 2 -1.09053891143839 3098233 CC(=NNC(=O)C1C2C1CCCC2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 1.987 4 4 0 -8.07850819415038 3098231 CC(=NNC(=O)C1=CC=CC=C1O)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.607 4 5 0 -6.25282567124641 3098228 CC1=CCC(CC1=NNC(=O)C2CC2C3=CC=CC=C3)C(=C)C 1 3.972 2 1 -5.33919252866161 3098227 CC(=NNC(=O)C1CC1C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.935 3 3 -8.48449901532089 3098217 CCOC(=O)C(C(C)C)C(=NNC(=O)C1CC1C2=CC=CC=C2)C 1 2.922 2 3 -9.13241771019518 3098212 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.252 3 4 0 -9.80726716867252 3098210 CC1=CCC(CC1=NNC(=O)C2=CC=CC=C2[N+](=O)[O-])C(=C)C 1 3.489 3 3 -9.79945233267641 3098134 CN\1C2=C(C=CC(=C2)OC)S/C1=C\3/C(=O)N(C(=NC4=CC(=CC=C4)O)S3)CC=C 1 5.008 3 3 -0.467418238721125 3097979 CC1=C(C=C(C=C1)NN=CC2=CC=C(C=C2)N3CCOCC3)C 1 4.271 3 1 0.731292421300121 3097970 CC1=C(C(=NC(=N1)NN)NC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 0.823 6 3 0 3.08064208995079 3097937 C1=CC2=C(C=C1S(=O)(=O)N)C(=NO)C3=C2C=CC(=C3)S(=O)(=O)N 1 0.4 3 5 0 -8.20417728040211 3097925 C1=CC(=CC=C1NC2=C(C=NC=C2[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)N 1 0.723 5 6 0 -4.51930642661681 3097924 COC1=CC=CC=C1NC2=C(C=NC=C2[N+](=O)[O-])[N+](=O)[O-] 1 2.001 4 5 0 -0.592249472272377 3097923 C1=CC=C(C(=C1)NC2=C(C=NC=C2[N+](=O)[O-])[N+](=O)[O-])Cl 1 2.682 4 4 0 1.78391876427638 3097921 CCOC(=O)C1=CC=C(C=C1)NC2=C(C=CC=N2)[N+](=O)[O-] 1 2.867 3 4 0 -6.21805189330224 3097917 C1=CC(=NC=C1Cl)NC2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-] 1 1.973 5 4 0 1.34861322027714 3097905 CC1=CC(=NC(=N1)NNC(=O)C2=CC=CC=C2)NNC(=O)C3=CC=CC=C3 1 1.733 6 2 0 -3.93571362163881 3097719 CC1=C(C(=NC(=N1)C2=CC=CC=C2)NN=CC3=CC=NC=C3)CC=C 1 3.331 5 0 2.08404936280957 3097718 CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2=CC=C(C=C2)OCCC 1 4.273 2 5 0 -9.11962746075981 3097712 CCC1(CC2=CC=CC=C2C(=C1C(=O)OCC)NC(=S)NC(=O)C3=CC=CC=C3)C 1 5.339 2 3 -14.4122100814646 3097707 COC1=CC=C(C=C1)C2=C(N(C=N2)CCC#N)[N+](=O)[O-] 1 1.851 4 3 0 -2.61708747069909 3097706 C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C2=CN=CN2 1 0.569 5 4 0 1.61132248892704 3097704 CN1C=NC(=C1SCC(CN2CCCCC2)O)[N+](=O)[O-] 1 1.568 4 3 0 -5.98652530975715 3097703 CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC(=O)O)[N+](=O)[O-] 1 2.226 4 7 0 -13.5098537068676 3097657 C1=CC(=C(C(=C1)Cl)C=NNC(=O)CSCC2=CC=C(C=C2)Cl)Cl 1 5.077 2 1 -9.42731608647651 3097654 CC(=NNC(=O)CSCC1=CC=C(C=C1)Cl)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 4.513 3 2 -12.2953882328939 3097626 CC(C)CCN1C2=C(N=C1SC3=NC4=CC=CC=C4O3)N(C(=O)NC2=O)C 1 4.002 5 3 0 -7.0035813327706 3097584 COC1=CC=CC(=C1)NC2C(=O)N(C(=O)S2)C3=CC=CC=C3 1 3.687 2 3 -10.1793437687658 3097522 C1=CC(=CN=C1)C(=O)NN2C(=O)C3=C(C2=O)C=C(C=C3)C4=CC5=C(C=C4)C(=O)N(C5=O)NC(=O)C6=CN=CC=C6 1 0.779 6 6 0 -6.85057124474765 3097560 CCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(C=CC=N3)O 1 4.138 3 4 0 -0.495990284274952 3097546 C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)O 1 3.827 2 5 0 -1.93710524395452 3097536 CC(C)(C)C(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2 1 4.866 3 1 -5.56433424954361 3097513 CC(C)C=NN=C(N)N[N+](=O)[O-] 1 2.428 5 2 0 -3.26425038111497 3097507 C1=CSC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.719 3 4 0 -9.02580095643194 3097497 CC(C1=CC=CC=C1)N2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C 1 1.16 6 2 0 -7.56600937835062 3097493 CC1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)NC(=O)N4C)O 1 1.148 5 3 0 -4.23399882688938 3097492 CN1C2=C(C(=O)NC1=O)N3CC(CN(C3=N2)C4=CC=CC=C4)O 1 0.662 5 3 0 -4.49530202203161 3097491 CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(COC3=CC=CC=C3)O 1 1.8 4 4 0 -4.63348470052887 3097465 C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC=C4C5=CC=CC=C5 1 5.024 1 1 1.74696152718289 3097442 C1C(C1C(=O)NN=CC2=CC=CO2)C3=CC=CC=C3 1 2.456 2 2 -4.59767973811211 3097441 C1CC2(C1)CC2C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.145 2 3 -0.743339909076376 3097411 CC1=NON=C1C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 0.612 5 5 0 -10.5917836741809 3097401 C1=CC=C(C=C1)CON=C(C2=NON=C2N)N 1 0.547 5 2 0 -6.07504382149998 3097333 CC1=C(C(N(C(=O)N1C)C)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 1.171 3 5 0 -12.1918132515482 3097314 C1CC2=CC=CC=C2N(C1)C3CC(=O)N(C3=O)C4=CC=CC=C4Cl 1 3.883 2 2 -2.77242753616629 3097286 C1=CC=C2C(=C1)C(=CC(=C2NCCCCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-] 1 3.299 3 6 0 -10.5702220572075 3097229 CC1=CC(=CC(=C1OCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Br)OC)C)[N+](=O)[O-] 1 5.549 3 7 0 -12.8069031741598 3097227 CC1=CC(=CC(=C1OCC(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br)C)[N+](=O)[O-] 1 5.565 3 6 0 -10.4392329328969 3097112 COC1=CC=CC=C1C(=O)NCC(=O)NN=CC2=CC=NC=C2 1 0.576 4 3 0 -14.8215914450656 3097107 CC(C)(C)C=NNC(=O)CNC(=O)C1=CC2=C(C=C1)OCCO2 1 1.303 3 4 0 -15.9163833457256 3097087 CN1C2=CC(=C(C=C2N(C(=O)C1=O)C)[N+](=O)[O-])[N+](=O)[O-] 1 0.251 4 6 0 -1.47727163667688 3097064 C1COC2=C(O1)C=CC(=C2)C=NNC(=S)N 1 1.585 3 2 0 -6.541764756834 3097007 CCCCCCCSC1=NSC(=N1)N 1 3.713 3 0 -1.9575146932019 3097006 CCCCCCSC1=NSC(=N1)N 1 3.257 3 0 -1.9575146932019 3096992 C1C(C=CS1(=O)=O)NCCC(=O)O 1 -3.811 1 4 0 -4.03085226464522 3096986 CC1=C(C(N(C(=S)N1)C(=O)C)C2=CC=CC=C2)C(=O)OC 1 2.148 2 3 -19.8510638184116 3096985 CCOC(=O)C1=C(NC(=S)N(C1C2=CC(=C(C=C2)OC)OC)C(=O)C)C 1 2.464 2 5 0 -25.4428415787869 3096982 CCOC(=O)C1=C(NC(=S)N(C1C2=CC=C(C=C2)Cl)C(=O)C)C 1 3.161 2 3 -18.3260253119099 3096965 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C(C)C 1 3.446 5 2 0 -28.5648903973995 3096964 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C(C)(C)C 1 3.863 5 2 0 -30.66856903286 3096963 CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)NC1=CC=CC2=C1N=CC=C2 1 4.36 3 1 -19.7067790187408 3096960 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C(Cl)(Cl)Cl)NC(=O)CC(C)C 1 2.818 4 2 -27.109729728511 3096930 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C(Cl)(Cl)Cl)NC(=O)C 1 1.443 4 2 0 -23.0366971463574 3096919 COC1=CC=CC=C1CC2C(=O)N=C(S2)NN=CC3=CC=CO3 1 3.369 3 3 -6.77206198335259 3096861 CC(=NNC(=O)CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2=CC=CS2 1 1.627 3 5 0 -19.8302749174009 3096628 CC(C)CC(=O)CC1(C2=CC=CC=C2NC1=O)O 1 1.335 1 3 0 -10.0209480007951 3096611 C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC=C(O3)Br 1 2.419 2 4 -5.47026517412976 3096610 CC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)C(C)(C)C 1 5.041 0 2 3.78343658440937 3096608 CC(=NNC(=O)COC1=CC=CC=C1[N+](=O)[O-])C2=CC=CS2 1 2.347 3 4 0 -12.3807564395977 3096571 CC1=CC=C(C=C1)NC2=C(C(=O)OC2NC(=O)C3=CC=CC=C3)Cl 1 3.389 2 3 -6.56931078319575 3096501 CC(=NNC(=O)C1=CC(=CC=C1)N2CCCC2=O)C3=CC=CC=C3 1 2.245 3 2 -19.1589664185174 3115191 CC1CCC2C(C1)N(C3=CC=CC=C3C2(C)C)C(=O)C 1 3.702 1 1 -8.49803506929788 3096485 CC(C(C1=CC=CC=C1)Cl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l)[N+](=O)[O-])NC3=CC=C(C=C3)F 1 3.709 8 2 0 -5.48838471035849 3096226 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=CC=C3C(=O)O)N4CCCCC4 1 3.038 7 2 0 -4.21940763843312 3096184 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=C(C=C3)C(=O)O)N4CCCCC4 1 3.038 7 2 0 -5.21065387814138 3096139 C1=CC2=C(C=C1N)NC(=N2)CCCCCCCCC3=NC4=C(N3)C=C(C=C4)N 1 4.506 6 0 1.24025413957172 3096133 C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CCCO 1 1.398 3 3 0 0.269236471922643 3096126 C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CCCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-] 1 3.507 6 4 0 -0.479060517439105 3096118 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.628 4 4 0 -11.6354296130884 3096102 C1CCC2C(C1)C2C(=O)NN3C(=O)C4=CC=CC=C4C3=O 1 1.833 2 3 0 -4.58106941981645 3096100 COC1=C(C=C(C=C1)C=NNC(=O)C2C3C2CCCC3)OC 1 2.788 2 3 -7.52604615369351 3096079 C1CCN(CC1)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.468 2 2 1.55519362171196 3096078 C1CCN(C1)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.012 2 2 1.90966213588004 3096076 CC(C)(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] 1 1.47 3 5 0 -5.65895982182514 3096073 CCNCCNC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2 1 1.671 4 2 0 -6.14695860137823 3096032 C1=C(C(=CC2=NSN=C21)Br)N 1 1.959 3 0 0 2.92863515197691 3096007 CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C)C 1 1.514 3 5 0 -21.9055312528466 3095965 CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C 1 3.439 5 2 0 -34.5248606476806 3095960 C1=CC2=C(C(=C1)NC(C(Cl)(Cl)Cl)NC(=O)CF)N=CC=C2 1 3.082 3 1 -19.1397278959594 3095934 CCOC(=O)C1=C(SC2=C1CCCC2)NC(C(Cl)(Cl)Cl)NC(=O)CF 1 4.27 2 3 -28.2692091126633 3095877 CC1=C(C(NC(=O)N1)C2=C(C=CC3=CC=CC=C32)OC)[N+](=O)[O-] 1 1.883 3 4 0 -17.849723453658 3095816 CN(C)C1=CC=C(C=C1)C=NNC2=NN=CC3=CC=CC=C32 1 2.803 5 0 0.614471502120742 3095756 CCN1/C(=C\2/C(=NN(C2=O)C3=CC=C(C=C3)Cl)C)/C=CC4=CC=CC=C41 1 4.128 3 1 9.63981824387511e-002 3095751 CC(=O)NC1=NN(C(S1)(C)CS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C 1 2.035 3 4 0 -13.5940528550954 3095725 CC1=CC(=CC(=C1NCC(C)C)[N+](=O)[O-])[N+](=O)[O-] 1 3.105 3 4 0 -2.7788890822919 3095706 CCOC(=O)C(C(=O)OCC)C(C)(C)C(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C 1 3.023 4 8 0 -9.62666868027604 3095685 CC1=NN(C(C1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.402 3 2 -3.90269393951965 3095679 C1=CC=C(C=C1)NC2=C(C=CC3=NON=C32)[N+](=O)[O-] 1 2.844 4 3 0 0.1145785310503 3095676 C1=CC(=CC=C1C(=O)O)NC2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-] 1 2.187 4 6 0 -3.27064680379277 3095577 CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=CC(=C5O)[N+](=O)[O-])[N+](=O)[O-])C(=O)C1)C 1 4.817 3 6 0 -13.9438511491052 3095544 CCCCCCCOC1=CC=C(C=C1)C2CC(=O)N(C2=O)C 1 3.589 1 3 -4.1428332332768 3095543 CCCCCCCCOC1=CC=C(C=C1)C2CC(=O)NC2=O 1 3.839 1 3 -7.92638056797375 3095535 CC1(C(=O)N(C(=O)N1)CCN(C)C)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.109 4 4 0 -5.05894386617647 3095534 CCOC(=O)C(C(C1=CC=C(C=C1)OCCC(C)C)C(C(=O)C)C(=O)OCC)C(=O)C 1 3.507 0 7 0 -7.95454349995074 3095471 CCCC(=O)NC1=C2CCN(C2=NC3=CC=CC=C31)C4=CC=CC=C4 1 3.992 3 1 -6.86616097590627 3095456 CCC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.418 2 1 -8.54169352751818 3095355 CC1=CC=C(O1)C=NNC(=O)COC2=CC(=C(C=C2)Cl)C 1 3.21 2 3 -4.48257770539996 3095302 CC1=C(C=C(C=C1)S(=O)(=O)CC2(N(N=C(S2)NC(=O)C)C(=O)C)C)C 1 2.099 3 4 0 -14.4171435797024 3095298 CC(=O)NC1=NN(C(S1)(C)CS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)C 1 1.791 3 4 0 -12.5163697327662 3095295 CC(=NNC(=S)N)CS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl 1 2.477 3 2 -8.50766519755999 3095276 CCOC(=O)CCCC(=O)N1CCOCCOCCN(CCOCCOCC1)C(=O)CCCC(=O)OCC 1 2.4e-002 2 10 0 -18.1603349910443 3095271 CCOC(=O)CCC(=O)N1CCOCCOCCN(CCOCCOCC1)C(=O)CCC(=O)OCC 1 -0.888 2 10 0 -17.5559897617447 3095270 COC(=O)CCC(=O)N1CCOCCOCCN(CCOCCOCC1)C(=O)CCC(=O)OC 1 -1.586 2 10 0 -17.4237535930768 3095266 CC(C(=O)N1CCOCCOCCOCCOCCOCC1)N2C(=O)C3=CC=CC=C3C2=O 1 -0.224 2 8 0 -16.2468653889568 3095264 CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)N3CCOCCOCCOCCOCC3 1 1.506 2 7 0 -17.6664720098531 3095261 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)N2CCOCCOCCOCCOCC2 1 1.503 2 7 0 -20.7495443355645 3095258 CCC(C(=O)N1CCOCCOCCOCCOCC1)NS(=O)(=O)C2=CC=C(C=C2)C 1 0.795 2 7 0 -18.8190376250047 3095256 CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)N2CCOCCOCCOCCOCC2 1 0.272 2 7 0 -16.4025362190125 3095255 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCOCCOCCOCCOCC2 1 -0.212 2 7 0 -12.4049017903464 3095251 CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)N3CCOCCOCCOCC3 1 1.637 2 6 0 -17.6664720098531 3095250 CCC(C)C(C(=O)N1CCOCCOCCOCC1)NS(=O)(=O)C2=CC=C(C=C2)C 1 1.702 2 6 0 -23.0039190408868 3095246 CC(C)C(C(=O)N1CCOCCOCCOCC1)NC(=O)OCC2=CC=CC=C2 1 1.619 2 6 0 -16.7822695506739 3095245 CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)N2CCOCCOCCOCC2 1 1.246 2 6 0 -20.8292261589587 3095243 CCC(C(=O)N1CCOCCOCCOCC1)NS(=O)(=O)C2=CC=C(C=C2)C 1 0.926 2 6 0 -18.8190376250047 3095242 CC(C(=O)N1CCOCCOCCOCC1)N2C(=O)C3=CC=CC=C3C2=O 1 3.8e-002 2 6 0 -16.2468653889568 3095241 CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)N2CCOCCOCCOCC2 1 0.403 2 6 0 -16.4025362190125 3095239 CCOC(=O)C(C)CC(C)C(=O)N1CCOCCN(CCOCCOCC1)C(=O)C(C)CC(C)C(=O)OCC 1 2.005 2 9 0 -14.6444367605955 3095236 CCOC(=O)C(C)CC(C)C(=O)N1CCOCCN(CCOCC1)C(=O)C(C)CC(C)C(=O)OCC 1 2.136 2 8 0 -14.2791521860013 3095231 CC1=CC(=C(C(=C1)C)NC(=O)CN2CCOCCOCCOCCOCC2)C 1 1.71 2 5 0 -8.66026889600707 3095230 C1COCCOCCOCCOCCN1CC(=O)NC2=CC=CC=C2 1 0.251 2 5 0 -7.51637357418869 3095229 C1COCCN(CCOCCOCCN1CC(=O)N)CC(=O)N 1 -2.408 4 5 0 -6.69084461531059 3095210 CCCCNC1=CC(=O)C(=O)C2=CC=CC=C21 1 2.311 1 2 -2.38492165427178 3095209 C1=CC=C(C=C1)CNC2=CC(=O)C(=O)C3=CC=CC=C32 1 2.566 1 2 -1.10312200442702 3095208 C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)O 1 2.467 1 4 -1.62998814996342 3095176 C1=CC=C(C=C1)N(CC(CN)O)C2=CC=CC=C2 1 2.246 2 1 -2.7785417824899 3095134 CC1=CC=CC=C1NCC(CNC2=NC(=CC(=N2)C)C)O 1 1.906 4 1 0 -4.19405655343498 3095116 CCOC(=O)CC1C2=CC=CC=C2C(=O)N1 1 1.124 1 3 0 -10.6376119786672 3095106 CC(=O)OC1CCC2(C(C1(C)C)CCC(C2COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C 1 4.031 0 6 -2.02838337234228 3095090 CC1=CC(=C(C=C1)C)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3CC(=O)NC4=CC=CC=C43)[N+](=O)[O-] 1 3.938 5 6 0 -11.4548400470085 3095057 C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=CNC(=O)NC2=O 1 -0.734 5 7 0 -16.0915717510315 3095037 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CN=CC=C3)C 1 2.41 6 3 0 -17.4279622426443 3095028 CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2)[N+](=O)[O-] 1 2.842 4 4 0 -12.9069181978836 3095010 C1=CC=C(C=C1)C2=NC3=NC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=CC(=CC(=C4)OC5=CC=CC=C5)[N+](=O)[O-] 1 5.899 6 4 0 -9.82641863192592 3094959 C1=COC(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 5.89 3 2 -15.6009991242656 3094957 CC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2 1 5.047 3 2 -15.0338992803777 3094956 CC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2 1 5.047 3 2 -16.824150607182 3094951 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC5=CC=CC=C5C=C4 1 2.595 1 2 3.81802990639618 3094918 CC1=CC(=C(C=C1)C)NC(=O)C2CCC(C2(C)C)(C)C(=O)O 1 3.652 1 3 -3.50315141235627 3094907 C1=CC(=CC=C1CC2=CC=NC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br 1 4.011 2 2 -4.41465004459832 3094906 CC1=CC=CC=C1NCN2C(=O)C3CCC(C2=O)(C3(C)C)C 1 3.223 2 2 -7.54534132019185 3094895 CCCCCCCC1=NC2=C(O1)C3=CC=CC=C3NC2=O 1 4.129 2 2 -5.02488239606005 3094859 CC1=CC=C(C=C1)NC2=NCC(S2)CC3=CC=C(C=C3)Br 1 5.398 2 0 -1.04726588021144 3094838 CC(=O)C1=CC=C(C=C1)OCCCCCCCOC2=CC=C(C=C2)C(=O)C 1 4.936 0 4 -3.89677962323887 3094823 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NNN=N2 1 0.879 6 3 0 -10.1137395933815 3094819 CC1=NC=C(N1CCOC(=O)NC(C(Cl)(Cl)Cl)NCC2=CC=CC=C2)[N+](=O)[O-] 1 3.021 5 4 0 -16.1729351853505 3094811 CC(C)NC1=NC(=NC(=N1)N(C#N)C(C)C(=O)N(C)C)NC(C)C 1 0.858 8 1 0 -9.90012884100681 3094803 CCNC1=NC(=NC(=N1)N2CC(=O)N(C2=N)CC(=O)OCC)NCC 1 -1.3e-002 8 3 0 -12.826986768269 3094802 CCOC(=O)CN1C(=O)CN(C1=N)C2=NC(=NC(=N2)NC(C)C)NC(C)C 1 0.742 8 3 0 -16.0588265644368 3094801 CC1=CC=C(C=C1)S(=O)(=O)NCCN2C(=O)CN(C2=N)C3=NC(=NC(=N3)SC)N(C)C 1 1.691 8 3 0 -12.0358687572092 3094800 CC1=CC=C(C=C1)S(=O)(=O)NCCN2C(=O)CN(C2=N)C3=NC(=NC(=N3)OC)N(C)C 1 1.133 8 4 0 -14.7829236735463 3094799 CC(=O)OCCN(C#N)C1=NC(=NC(=N1)OC)N(C)C 1 0.348 6 3 0 -9.23895234054367 3094795 CC1=CC(=CC(=C1)CC(CC2=NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5N4)C 1 6.185 4 0 -0.157106548667054 3094794 C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.468 3 5 0 -12.816081045388 3094760 CCN\1C(=C(S/C1=C\2/C(=O)N(C(=S)S2)N)C)C 1 2.192 3 1 -7.84420425105442 3094696 CN\1C2=C(C=CC(=C2)OC)S/C1=C\3/C(=O)N(C(=NC4=CC=CC=C4)S3)CC=C 1 5.25 3 2 -3.25728765457814 3094681 CC1=CC=CC=C1N=C2N(C(=O)/C(=C/3\N(C4=CC=CC=C4S3)C)/S2)CC=C 1 5.752 3 1 -2.99446934586537 3094646 CC1(C(N(C(=S)S1)C)N(C(=O)NC2=CC=C(C=C2)Cl)O)C 1 4.247 3 2 -3.17384718281551 3094587 CCC1=NN=C(N1N)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.252 7 3 0 -6.58151442928363 3094585 COC1=C(C=C(C=C1)[N+](=O)[O-])C=NNC(=O)C2=NON=C2N 1 0.586 6 5 0 -13.4100574592846 3094499 CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC2=C1N=CC=C2 1 5.063 4 1 -20.6992180286121 3094492 CC1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)OCCN2C(=NC=C2[N+](=O)[O-])C 1 3.779 5 4 0 -22.0424785982008 3094489 C1=CC=C(C=C1)C2=NN(C=C2C=NNC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 5.516 5 2 0 10.3100884453955 3094418 CCN\1C2=CC=CC=C2S/C1=C\3/C(=O)N(C(=S)S3)CC=C 1 4.677 2 1 -7.79260376888282 3094465 CCCCCCCCCCOC(=O)NC1CCS(=O)(=O)C1 1 3.59 1 4 -13.8390371381056 3094436 CC(=O)NC1=CC=C(C=C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C 1 1.072 7 4 0 -7.07807258456138 3094354 CC(=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-] 1 2.452 4 5 0 -10.3178799331388 3094342 C1CCC2C(C1)C2C(=O)OC3=CC=C(C=C3)C4=CC=CC=C4 1 4.918 0 2 -8.29687067107707e-002 3094341 C1CCC2C(C1)C2C(=O)NNC3=CC=C(C=C3)[N+](=O)[O-] 1 2.669 3 3 -2.94478218607772 3094334 CCC(C)NC1=NC(=NC(=N1)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F 1 6.149 4 2 -9.30694005154489 3115076 C1C2C(C(C1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=CC=CC(=C4NC2C(=O)O)C(=O)O 1 3.764 2 6 0 -8.51621981615307 3115074 C1C2C(C(C1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C=CC(=C4)C(=O)O)NC2C5=CC(=CC=C5)[N+](=O)[O-] 1 5.654 3 6 0 -7.48407364477364 3115024 CN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)OC3=CN=CC=C3)[N+](=O)[O-])[N+](=O)[O-] 1 1.891 6 6 0 -10.8817417195838 3115023 CN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)OC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.042 5 6 0 -7.33485611753027 3114964 CC(=C)CNC(=S)NNC(=O)CCN1C2=C(C=CC(=C2)Cl)C3=C1C=C(C=C3)Cl 1 5.61 4 1 -9.14668319530662 3114950 C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.879 2 4 -14.2524955861683 3114918 CC1CC(=O)NC2=C(N1)C=CC(=C2)[N+](=O)[O-] 1 0.965 3 3 0 -9.61354057801127 3114913 C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3)[N+](=O)[O-])NC(=O)C4=C(C(=CC=C4)F)F 1 5.664 3 3 -4.75168512241897 3114905 C1=CC=C(C(=C1)C(=O)NC2=CC(=CC(=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])F 1 5.458 3 3 -7.32290190906567 3114903 C1=C(C=NC2=C(C=NN21)C(=O)O)C3=C(C=NN3)[N+](=O)[O-] 1 -0.119 6 4 0 -7.14875254781005 3114902 CCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1CCOCC1 1 3.45 3 2 -26.5795686416118 3114817 CC(=O)NC1=CC=C(C=C1)OCCC[N+]2=CC=CC(=C2)C(=O)[O-] 1 0.405 2 4 0 -3.39290641309052 3114760 CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC1=C(C2=C(S1)CCC2)C(=O)OC 1 4.326 2 3 -26.8851421174838 3114601 CC1=C(C=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CS2)C 1 5.218 2 1 -17.8104370334776 3114587 CN(CC1=CC=CC=C1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2 1 3.952 2 2 -5.51413079744815 3114586 CC1CN(CC(O1)C)C(C(Cl)(Cl)Cl)NC(=O)C(C)(C)C 1 3.298 2 2 -18.8330873898852 3114584 C1=CC=C2C(=C1)C=CC=C2C(=O)NC(C(Cl)(Cl)Cl)NCC3=CN=CC=C3 1 3.779 3 1 -9.93550482115112 3114542 COC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)(C5C4C(=O)N(C5=O)C6=CC=C(C=C6)OC)C7=CC=CC=C7 1 3.067 2 6 0 2.57558077596023 3114539 C1=CC=C(C=C1)C23C=CC(C4C2C(=O)N(C4=O)C5=CC(=CC=C5)Cl)C6C3C(=O)N(C6=O)C7=CC(=CC=C7)Cl 1 4.429 2 4 6.83745328209552 3114536 CCOC(=O)C1=C(C2C3C(C1(C4C2C(=O)N(C4=O)C5=CC=CC=C5C)C)C(=O)N(C3=O)C6=CC=CC=C6C)C 1 3.651 2 6 0 -4.04359585449629 3114530 CCOC(=O)C1=C(C2C3C(C1(C4C2C(=O)N(C4=O)C5=C(C=C(C=C5)C)C)C)C(=O)N(C3=O)C6=C(C=C(C=C6)C)C)C 1 4.623 2 6 0 -2.93340481930046 3114490 CC1(CC1(Cl)Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.515 3 3 -1.06421872222061 3094294 CCCCNC(=O)C1=NN2C=C(C=NC2=C1Br)Br 1 2.565 4 1 -11.7210506037341 3094293 CCCNC(=O)C1=NN2C=C(C=NC2=C1Cl)Br 1 2.024 4 1 -10.5396734316509 3094245 CC1(C(C1C(=O)NN=CC2=CC=CC=C2F)C=C(Cl)Cl)C 1 3.498 2 1 -3.9692106243289 3094232 C1C(NC(C2=C1NC=N2)C3=CC=CC=C3O)C(=O)O 1 -2.062 3 3 0 -4.28757760122082 3094230 C1C(NC(C2=C1NC=N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O 1 -1.925 4 4 0 -10.8830170044588 3094226 C1CCN(CC1)C2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4 1 4.1 3 0 -1.74322782628622 3094205 C1CN(CCC1CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.439 4 6 0 -12.0004986413235 3094201 CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)F 1 3.204 1 1 -8.5047452750753 3094167 C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4 1 0.844 8 4 0 -6.02158382986504 3094156 C1=C2C(=CC(=C1NCCO)[N+](=O)[O-])NC(=O)N2 1 -0.144 4 4 0 -9.25375397705772 3094141 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NNC(=O)C(Cl)Cl 1 0.165 3 4 0 -13.5523234327567 3094138 CC(C(=O)NNC(=O)CNS(=O)(=O)C1=CC=CC=C1)Cl 1 -1.4e-002 3 4 0 -13.3611599862981 3094078 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C(C(=CC=C3)Cl)Cl 1 5.461 1 1 -0.975862398413129 3094072 C1=CSC(=C1)C(=O)NCCCCCCNC(=O)C2=CC=CS2 1 3.356 2 2 -10.2373598716577 3094071 C1=COC(=C1)CNC(=O)C2=C(C(=C(C(=C2F)F)F)C(=O)NCC3=CC=CO3)F 1 2.598 2 4 -9.39487302615776 3094068 C1=NNC(=N1)NC(=O)C(C(F)F)(F)F 1 0.337 4 1 0 -6.80119544775159 3094046 C1=CSC(=N1)NC(=O)C(C(C(C(=O)NC2=NC=CS2)(F)F)(F)F)(F)F 1 1.35 4 2 0 -3.66823252221064 3094026 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.115 5 6 0 -6.79123291268056 3094025 C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)NC5=CC=CC(=C5)C(=O)O)C(=O)O 1 3.268 3 8 0 -15.2952477921472 3093946 CN\1C2=C(C=CC(=C2)OC)S/C1=C\3/C(=O)N(C(=NCC4=CC=CC=C4)S3)C5=CC=CC=C5 1 6.216 3 2 -1.33082850474531 3093853 COC1=C(C=C(C=C1)C=NNC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)OC 1 4.22 4 3 0 -11.1845427710347 3093806 CCOC(=O)C(C)N1C=NC2=C1C(=O)NC(=O)N2C 1 0.234 4 4 0 -11.8733385725054 3093800 CC(C1=CC=CC=C1)N2C3=C(N=C2Br)N(C(=O)NC3=O)C 1 2.64 4 2 -5.93141279900714 3093785 CCCCCC1=CC=C(C=C1)C2=NN=C(S2)N 1 3.793 3 0 0.775576073204956 3114342 C1CN(CCN1CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)OCC(CN4CCN(CC4)CC5=CC=CC=C5)O)O 1 4.134 4 4 0 -1.05305490876283 3114337 CCN(CC(COC1=CC=C(C=C1)OCC(CN(CC)C2CCCCC2)O)O)C3CCCCC3 1 5.467 2 4 -4.49391684294426 3114323 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C 1 2.25 2 1 -18.3023661921814 3114299 CC1CCCN(C1)C(=S)SCC(=O)C2=CC(=CC(=C2O)Br)Br 1 5.951 1 2 0.389581117532542 3114297 CC(=NO)CC(C1=NC2=CC=CC=C2C=C1)O 1 1.659 2 2 0 3.21169958964793 3114269 C1CN(CCN1CCNC(=O)C(=O)NC2=CC=C(C=C2)Br)C(=O)C3=CC(=CC=C3)Br 1 2.821 4 3 0 -12.4030586623394 3114261 CCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C 1 4.231 1 2 -2.64527969319384 3114197 CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCCOCC 1 4.271 4 1 -14.3467838536804 3114156 CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=CO4 1 4.184 2 2 -13.4493854323234 3114154 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(C(=C(C=C3)OC)OC)OC)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.736 4 5 0 -12.5784329522664 3114076 COC1=CC=CC(=C1)C2(CC(=NN2C(=O)C3=CC=CC=N3)C(F)(F)F)O 1 2.702 3 3 -1.09752557610394 3114072 CCOC(=O)C1=NN(C(C1)(C(C)(C)C)O)C(=O)CC2=CC=CC=C2 1 2.619 2 4 -6.93875656669634 3114057 C1=CC=C(C=C1)C2C(C(C2C(=O)OC3=CC=CC=C3)C4=CC=CC=C4)C(=O)O 1 4.564 0 4 -5.17602761859914 3114053 CC(C)CCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3 1 4.568 0 4 -6.73729922984913 3114052 CCC(C)OC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3 1 4.237 0 4 -5.85586506128797 3114044 CC1=CC(=C(C=C1)C)NC(=O)C2C3CCCC2C3C4=CC=CC=C4 1 5.008 1 1 -2.31575741518409 3114043 CC1=CC(=C(C=C1)NC(=O)C2C3CCCC2C3C4=CC=CC=C4)C 1 5.008 1 1 -3.29945682846808 3114042 CC1=CC=C(C=C1)NC(=O)C2C3CCCC2C3C4=CC=CC=C4 1 4.522 1 1 -1.1750405749243 3114041 CC1=CC=CC=C1NC(=O)C2C3CCCC2C3C4=CC=CC=C4 1 4.522 1 1 -3.27022150449371 3114038 COC1=C(C=C(C=C1)CCNC(=O)C(=O)N2CCCC2)OC 1 1.266 2 4 0 -15.9070130258635 3114036 COC1=C(C=C(C=C1)CCNC(=O)C(=O)N2CCCCC2)OC 1 1.722 2 4 0 -16.2614815400316 3114032 CC1=CC(=C(C=C1)C)NC(=O)C(=O)NCC2=CC=CC=N2 1 1.924 3 2 0 -12.9117822634672 3114026 CC(C)(C)NC(=O)C(=O)NCC1=CC=CC=N1 1 0.307 3 2 0 -15.6778247441361 3114024 CC(C)(C)NC(=O)C(=O)NN=C1CCCCCCCCCCC1 1 3.766 3 2 -14.3834632976725 3114023 CC(C)(C)NC(=O)C(=O)NN=C1CCCCCCC1 1 1.941 3 2 0 -14.3834632976725 3114022 CC(C)(C)NC(=O)C(=O)NN=C1CCCCCC1 1 1.485 3 2 0 -14.3834632976725 3114021 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NCC=C 1 2.693 2 3 -21.0727200436122 3114017 COCCCNC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 1 1.521 2 4 0 -23.8894481406525 3114016 CC(C)NC(=O)CC(=O)NN=CC1=CC=CS1 1 1.087 3 2 0 -14.229673576878 3114011 CC(C1=CC=CC=C1)NC(=O)C(=O)NN=C2CCCCCC2 1 2.515 3 2 -12.3765881561036 3113996 COC1=CC=C(C=C1)CNC(=O)C(=O)NCC2CCCO2 1 0.653 2 4 0 -14.7823132422034 3113989 C1CCCCCC(=NNC(=O)C(=O)NCC2=CC=CC=N2)CCCCC1 1 3.483 4 2 -14.4855575700025 3113988 CC(C1=CC=CC=C1)NC(=O)C(=O)NN=C2CCCCCCC2 1 2.971 3 2 -12.3765881561036 3113987 CC(C1=CC=CC=C1)NC(=O)C(=O)NN=C2CCCC2 1 1.602 3 2 0 -12.0221196419355 3113985 C1CCCC(=NNC(=O)C(=O)NC2CCCCC2)CCC1 1 2.868 3 2 -12.0656328622506 3113974 COC1=CC=C(C=C1)CNC(=O)C(=O)NCC2=CN=CC=C2 1 0.727 3 3 0 -9.07527537446808 3113972 C1=CC=NC(=C1)CNC(=O)C(=O)NCC2=CC=CC=N2 1 2.3e-002 4 2 0 -9.24675172386804 3113942 C1=CC(=CC(=C1)Br)C=NNC2=NNN=N2 1 1.93 6 0 0 -0.938329263208722 3093675 CCOC(=O)NC(C(Cl)(Cl)Cl)N1C=C(C(=O)NC1=O)C 1 1.622 3 4 0 -14.8982355008691 3093671 CC1=CC=C(C=C1)S(=O)(=O)NC2(C3=CC=CC=C3C(=O)C(=C2Cl)Cl)OC 1 3.702 1 4 -0.199797297326974 3093661 C1COCCN1C2=NC3=C(N=CN(C3=N2)CC(CO)O)N 1 -1.535 6 3 0 -4.8833810060725 3093634 CCC(COC(=O)NC1=CC=C(C=C1)Cl)N2C(SCC2=O)C3=CC=C(C=C3)C 1 5.126 2 3 -9.32628171585279 3093622 CC1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 4.673 3 3 -19.8643517509103 3093621 CC1=CC(=CC=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 4.673 3 3 -18.2309954242881 3093603 CCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1CCOCC1 1 5.275 3 2 -27.279306468795 3093516 C1C(C(CS1(=O)=O)O)NCCO 1 -1.821 1 4 0 -5.45209183541276 3093503 CC1=CC(=C(C=C1)C)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=N2 1 4.542 3 1 -18.2344289605053 3093500 COC1=CC=CC=C1NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=N2 1 3.554 3 2 -20.15548499458 3093498 CC1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=N2 1 4.056 3 1 -18.3293536203978 3093497 CC1=CC(=CC=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=N2 1 4.056 3 1 -16.6959972937757 3093486 C1=CC=C(C=C1)CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)Br 1 6.405 3 1 -21.8867533135045 3093485 C1=CC=C(C=C1)CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)Cl 1 6.321 3 1 -20.8270307787 3093484 C1=CC=C(C=C1)CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC(=CC=C2)Cl 1 6.321 3 1 -19.9975544391061 3093479 COC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)Cl)[N+](=O)[O-] 1 5.708 4 4 0 -17.8678799073037 3093461 C1=CC=C(C(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)Cl)Cl 1 6.495 3 1 -16.1075409595183 3093457 C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)Cl 1 5.83 3 1 -16.4531702072684 3093455 CC1=CC=CC(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 5.53 4 4 0 -19.7660052668934 3093427 CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)N=NC2=CC=CC=C2 1 6.994 5 1 -19.8619864128983 3093419 COC1=C(C=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CF)[N+](=O)[O-] 1 3.647 4 4 0 -23.9729808782007 3093402 CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C(Cl)Cl)OCC 1 2.377 1 4 -11.0102409932656 3093394 CC(=O)C1=CC=C(C=C1)OC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2 1 3.602 1 4 -10.9341928506477 3093381 CCCC(=O)NC(C(Cl)(Cl)Cl)OC1=CC=C(C=C1)OC 1 3.909 1 3 -15.0767496434125 3093379 CCCC(=O)NC(C(Cl)(Cl)Cl)OC1=CC=CC=C1Cl 1 4.59 1 2 -14.4268651232527 3093378 CCCC(=O)NC(C(Cl)(Cl)Cl)OC1=C(C=C(C=C1)Cl)Cl 1 5.255 1 2 -12.4383820431179 3093373 CC(C)C(=O)NC(C(Cl)(Cl)Cl)OC1=CC=CC=C1Cl 1 4.597 1 2 -9.76996764797146 3093369 CC(=O)C1=CC=C(C=C1)OC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2 1 4.242 1 3 -12.2438927971441 3093365 C1=CC=C(C=C1)CC(=O)NC(C(Cl)(Cl)Cl)OC2=CC=CC=C2Cl 1 5.166 1 2 -8.60598152354375 3093337 CC1CCC(CC1)OC(=O)C2=C(NC(=O)NC2C3=CC=CC=C3OC)C 1 3.158 2 4 -35.528602496875 3093202 CC1=CC=C(C=C1)NC(=O)C2CC2C3=CC=CC=C3 1 3.478 1 1 -2.87835266858832 3113890 CC1=C(C(=C(C(=N1)SCC(=O)C2=CC3=CC=CC=C3OC2=O)C#N)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5 1 5.501 3 4 0 -16.5898449364837 3113865 C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC4=CC=C(C=C4)S(=O)(=O)N 1 2.372 6 6 0 -7.07105466284779 3113863 C1=CC=[N+](C=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)[O-] 1 1.392 1 3 0 -3.17300042232401 3113850 C1COCCN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.316 4 5 0 -5.68069104047974 3113818 CC(C)(C(=O)O)SC(=S)N1CCCCCC1 1 3.855 1 2 -5.68091632817189 3113802 CC(C)OP(=O)(/C(=C/NC1=CC=C(C=C1)[N+](=O)[O-])/Cl)OC(C)C 1 2.718 2 5 0 -4.54255566001605 3113799 CC1(N(C2=C(N1C)C=C(C=C2)[N+](=O)[O-])C)C3=CC=CC=C3 1 3.589 3 2 -2.35583403915258 3113774 CC1=CC=C(C=C1)C(=O)NNC(=O)CCCCC(=O)NNC(=O)C2=CC=C(C=C2)C 1 2.349 4 4 0 -11.3105381456721 3113773 C1=CC=C(C=C1)OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COC2=CC=CC=C2 1 1.047 4 6 0 -11.1046078677758 3113771 CC1=CC=CC(=C1)C(=O)NNC(=O)CCCCC(=O)NNC(=O)C2=CC(=CC=C2)C 1 2.349 4 4 0 -11.1326872714141 3113748 C1=CC(=CC=C1C(=O)NNC(=O)CCC(=O)O)[N+](=O)[O-] 1 -5.3e-002 3 6 0 -15.0768305470924 3113722 CN1C=CN=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 2.777 2 1 0.629241182663448 3113706 CN1C2=CC=CC=C2N=C1C(C3=CC(=C(C=C3)OC)OC)O 1 2.826 2 3 -4.94492030516922 3113665 C1CN=C2N(C1)C3=CC=CC=C3N2CC(=O)C4=CC=CS4 1 2.455 3 1 -13.4796431027515 3113591 CC1=CC(=C(C=C1)C)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OCC4=CC=CC=C4 1 5.208 2 3 -7.95053764000678 3113596 CC1=CC=CC=C1NC(=O)C2CC3=CC=CC=C3CN2C(=O)OCC4=CC=CC=C4 1 4.722 2 3 -8.90500172931639 3113607 C1C(=NN(C1(C2=CC=C(C=C2)F)O)C(=O)C3=CC=CC=C3)C(F)(F)F 1 3.646 2 2 0.793728042470819 3113629 CC1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=CC=C3C 1 3.502 2 2 -2.16126003923041 3113628 CC1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=CC=C3F 1 3.222 2 2 -1.15143820293349 3113627 CC1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=CC=C3Br 1 3.765 2 2 -0.956571096648452 3113616 CCC1=NN(C(C1)(C2=CC=C(C=C2)C)O)C(=O)C3=CC=C(C=C3)Br 1 4.253 2 2 -1.81095699393026 1524486 CCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=CC=C3)C(=O)N4C=CC=CC4=N2 1 1.765 4 3 0 -22.4476776674194 1524467 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)S(=O)(=O)C5=CC=CC=C5 1 1.772 5 3 0 -22.3767613780601 1524462 C1COCCN1CCCN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=CC=C4)C(=O)N5C=CC=CC5=N3 1 0.781 5 4 0 -24.8913363585898 1524005 C1=CSC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3 1 2.683 3 2 -10.7322793721263 1524003 COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)O 1 2.471 3 4 0 -7.91588546377401 1523976 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)C(=O)OC 1 4.195 1 5 -11.8643527409148 1523899 CC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4 1 5.588 4 1 -1.49247530856037 1523765 COC1=C(C=C(C=C1)CC2=NN3C(=O)C(=C4C5=CC=CC=C5N(C4=O)CC=C)SC3=NC2=O)OC 1 3.528 4 5 0 -20.3994301609639 1523680 CCN1C2=C(C=C(C=C2)Cl)C3=NC4=CC=CC=C4N=C31 1 4.634 3 0 2.70277478988023 1523679 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53 1 5.112 4 2 -2.64129008139439 1523656 CC1=CC=CN2C1=NC(=C2)COC3=CC=C(C=C3)C4=CC=CC=C4 1 4.357 2 1 0.362110987245034 1523652 CC1=CC=C(N1CCN2CCN(CC2)C(=O)C3=CC=CO3)C 1 1.835 3 2 0 -6.70517145353783 1523649 CCOC(=O)C1=C(OC2=C1C3=C(C4=CC=CC=C42)OCN(C3)CC5=CN=CC=C5)C 1 3.682 2 4 -1.73897277834906 1523620 CC1=CC(=NC=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.519 2 3 -9.23072927533245 1523617 CC1=C(C(=O)C=CO1)OC(=O)C2=CC(=C(C=C2)OC)OC 1 1.419 0 6 0 -11.4299534197391 1523546 CC1=CC(=NC2=NC(=CN12)CSC3=NC=NN3)C 1 1.392 6 0 0 -8.45360381636884 1523543 CC1=C(SC2=C1CN(CN2C(=O)C3=CC=CO3)CC4=CC=NC=C4)C 1 2.941 3 2 -2.27336079525222 1523541 CC1=C(SC(=C1CN2CCN(CC2)C3=CC=C(C=C3)F)NC(=O)C4=CC=CO4)C 1 4.336 3 2 0.474249788669943 1523540 CC1=C(SC(=C1CN2CCN(CC2)C3=CC=CC=C3)NC(=O)C4=CC=CO4)C 1 4.131 3 2 -0.596324658462321 1523539 CC1=C(SC(=C1CN2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CO4)C 1 4.042 3 2 -2.15789338868463 1523536 CC1=C(SC(=C1CN2CCCCC2)NC(=O)C3=CC=CO3)C 1 3.418 2 2 -3.74494348071096 1523481 CC(=O)N1CN(CC2=C1SC3=C2CCCC3)CC4=CC=CC=N4 1 2.848 3 1 -8.53035476700063 1523424 C1COCCN1CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CC=CC=C4Cl)Cl 1 4.538 2 3 -2.02483847041976 1523408 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=C(C=C(C=C4)OC)OC)C=CC=C3C1=O 1 2.702 2 5 0 -11.4497758455596 1523405 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=CC=CC=C4OC)C=CC=C3C1=O 1 2.719 2 4 -10.5102065154586 1523398 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=NC(=CS4)CC(=O)OCC)C=CC=C3C1=O 1 2.4 3 5 0 -13.6917401364046 1523396 CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)CN4CCN(CC4)CCO)C 1 2.641 2 5 0 6.42256896334211e-002 1522952 COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)/C=C/C4=CC=CC=C4 1 4.536 0 6 -8.22878985092967 1522942 COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC(=O)/C=C/C4=CC=CC=C4 1 4.75 0 5 -7.49666497052879 1522903 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)N(C)C)OC3=CC(=CC=C3)OC 1 3.119 1 6 0 -7.51620377537329 1522831 CC(C)(C)C(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C 1 4.82 2 4 -3.62583581837163 1522805 CC(C)(C)C(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4C=C3 1 5.307 1 4 -4.26363815726904 1522651 CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCN(CC4)C)C5=CC=CC=C5 1 4.369 5 0 8.15347428604353 1522642 CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3N4CCOCC4)C5=CC=CC=C5 1 4.1 4 1 6.45058813558471 1522618 CN1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)F)C5=CC=CC=C5 1 4.088 5 0 8.86535131150878 1522597 COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCOCC4)C5=CC=CC=C5 1 3.597 4 2 3.17201655817296 1522563 C1CN(CCN1CCO)C2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)Br)C5=CC=CC=C5 1 4.092 5 1 9.33067784635387 1522537 CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCOCC4)C5=CC=CC=C5 1 4.1 4 1 3.5849827673171 1522490 C1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC=CC=C4)C5=CC=CC=C5 1 4.843 4 0 4.214544917394 1522483 CCN1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)F)C5=CC=CC=C5 1 4.437 5 0 7.25869540805792 1522480 C1CN(CCN1CCO)C2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)F)C5=CC=CC=C5 1 3.549 5 1 9.67721592633375 1522478 C1COCCN1C2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)F)C5=CC=CC=C5 1 3.819 4 1 4.29685979278235 1522466 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)COC3=CC=CC4=C3N=CC=C4 1 3.471 4 4 0 -18.5464831887377 1522463 COC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=CS3 1 4.309 3 2 -11.9724539960415 1522381 CC1=C(SC(=N1)N)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C(=O)OC 1 3.288 5 2 0 -10.3605641223867 1522329 C1=CC=C(C=C1)C2=C(N(C(=N2)SC(F)F)C(F)F)C3=CC=CC=C3 1 6.407 2 0 2.29022262651726 1522262 C1=CC=C2C(=C1)N=C(N2CC3=CC=C(O3)Br)C4=CC=C(O4)Br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l)C#N)N(C)C 1 2.315 7 0 0 0.69336061618813 1521551 CCOC(=O)C1=C(N(N=N1)C2=NC(=NC(=N2)N(C)C)N(C)C)C 1 1.13 8 2 0 -12.8403029299224 1521550 CC1=C(N=NN1C2=NC(=NC(=N2)N(C)C)N(C)C)C(=O)OC 1 0.781 8 2 0 -11.896784471432 1521544 CC1=CC(=NC2=NC(=NN12)S(=O)(=O)NC(C)(C)C)C 1 1.169 5 2 0 -12.9397228135588 1521538 CCC1=CC=CC=C1NS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)OC 1 3.429 2 3 -5.46181937550509 1521535 C1=CC=C(C(=C1)CNC(=O)CSC2=NC=NN2)Cl 1 1.981 4 1 0 -17.6081179670685 1521532 CC1=NC(=C2C(=C1)COC2=O)SCC(=O)NCC3=CC=CC=C3Cl 1 2.959 2 3 -17.5407193428509 1521522 CC1=NC(=C2C(=C1)COC2=O)SCC(=O)N 1 0.505 2 3 0 -10.8300405895815 1521459 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N 1 3.467 4 2 -14.6168935940422 1521427 CC1(CC2=C3C4=C(C(=NN=N4)N5CCCC5)SC3=NC(=C2CS1)N6CCOCC6)C 1 3.071 6 1 0 -10.8329822159588 1521420 CC1=C(N=NN1C2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)C(=O)OC 1 0.157 8 4 0 -11.5045695214108 1521418 CC1=C(N=NN1C2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4)C(=O)OC 1 2.616 8 2 0 -9.915483398698 1521398 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3)OC 1 2.287 3 4 0 -12.0491472280388 1521366 CCC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC 1 3.782 2 3 -5.44950523728227 1521358 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N3C=CC=C3)CN4CCC(CC4)C 1 3.301 7 3 0 -20.0743607149427 1521357 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N3C=CC=C3)CN4CCCCC4 1 3.049 7 3 0 -17.4667714511489 1521354 CCOC1=C(C=CC(=C1)C2=NC(=C(N2O)C(=O)C)C)OCC(=O)NC3=CC=CC=C3 1 0.782 3 5 0 -9.09783569850894 1521319 C1=CC=C(C(=C1)CN2N=C(N=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4F)F 1 5.066 4 1 0.702821627842781 1521316 COC1=CC(=CC(=C1OC)OC)C2=NN(N=N2)CC(=O)N3CCOCC3 1 0.409 5 5 0 -13.0634514981411 1521314 CSC1=CC=CC=C1NC(=O)COC2=NSN=C2N3CCOCC3 1 1.662 4 3 0 -12.2657395703893 1521296 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3 1 3.721 3 2 -4.82796446579601 1521281 COC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(O3)Br)OC 1 3.075 2 4 3.18128805368331 1521267 C1CC2=C(C1)C=C(C=C2)OCC3=NC(=NO3)C4=CC=C(O4)Br 1 4 2 3 0.369651838952877 1521222 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)OC 1 2.042 2 6 0 -18.7947302151552 1521171 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NN=CC3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-] 1 3.433 7 3 0 -4.25880027342452 1521163 C1CCN(C1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)F 1 1.825 9 2 0 -21.8647250215858 1521131 CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)OC 1 3.129 3 4 0 0.799330816277987 1521044 CC1=NC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)F 1 3.452 3 3 -13.000973916278 1521030 C1=CC(=CC(=C1)Br)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CN=CC=C3 1 3.713 3 3 -11.6183432669683 1520897 C1CCN(CC1)CCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 4.456 1 1 -2.59609947604382 1520720 COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CC=CC=C3OC)[N+](=O)[O-] 1 3.977 3 7 0 -11.8526698888097 1520679 CCOC1=C(C=CC(=C1)C=NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)OC(=O)C4=CC=CO4 1 4.771 2 6 0 -16.4717188445117 1520657 CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)N2C(=O)CSC2=S)C 1 2.774 2 5 0 -9.34778008893822 1520654 C1=CC=C2C=C(C=CC2=C1)OCC3=NC(=NO3)C4=CC=C(O4)Br 1 3.852 2 3 5.1419042781805 1520648 C1=CC(=C(C=C1F)F)OCC2=NC(=NO2)C3=CC=C(O3)Br 1 3.354 2 3 2.66025851900303 1520613 CSC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3N=C2C4=CSC=N4 1 3.538 4 1 -10.8150562588321 1520606 C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC4=CC=CC=C43)N 1 3.89 4 2 -15.7616543461609 1520549 CCCC1=NC2=C(C(=N1)N3CCN(CC3)C)SC(=S)N2C4=CC=CC=C4 1 5.095 5 0 -2.7037974420668 1520548 CCCC1=NC2=C(C(=N1)N3CCOCC3)SC(=S)N2C4=CC=CC=C4 1 4.825 4 1 -7.27228896079323 1520542 CC1=CC(=C(S1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3O 1 2.287 2 3 -8.39936250265288 1520541 CC1=CC(=C(S1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.513 2 3 -11.6468458418416 1520524 COC1=C(C=C(C=C1)CC2=NC(=NO2)C3=CC=C(O3)Br)OC 1 3.11 2 4 -3.53288748629124 1520503 CCOC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3F)C(=O)N(C(=O)N2C)C 1 2.828 4 4 0 -26.5962789269362 1520492 CC(=O)C1=CC(=CC=C1)NC(=O)COC2=NSN=C2N3CCOCC3 1 0.86 4 4 0 -9.20391661191963 1520411 CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCC(CC3)C(=O)N)C(=O)C 1 2.434 4 2 -4.18719392459395 1520392 C1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F 1 5.185 4 2 -11.8549180915122 1520390 CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C4=NC(=CS4)C5=CC(=C(C=C5)OC)OC 1 4.381 4 2 5.64387970730401 1520389 CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C4=NC(=CS4)C5=CC=C(C=C5)[N+](=O)[O-] 1 4.309 5 2 0 6.82714652858979 1520373 C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4 1 1.546 4 3 0 -22.6310094408756 1520371 C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=CC=CC=C4 1 2.729 2 3 -19.4977646913518 1520366 C1=CC=C(C(=C1)OCC2=NC(=NO2)C3=CC=C(O3)Br)Cl 1 3.608 2 3 1.98009280031862 1520328 CC1=CC=C(C=C1)NCC(=O)NN=CC2=CC(=CC=C2)OC3=CC=CC=C3 1 4.39 3 2 -5.87743796524134 1520324 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CC(=C2)C)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)C 1 4.508 1 6 0 -7.66575557553382 1520305 CCS(=O)(=O)C1=C2C=CC=CN2C(=C1S(=O)(=O)CC)C(=O)N 1 0.705 2 5 0 -11.8815263929613 1520196 C1=CC=C2C=C(C=CC2=C1)CN3C(=O)C4=CC=CC=C4N=N3 1 4.324 3 1 -14.233719761602 1520179 COC1=NC2=CC=CC=C2N=C1CCC(=O)O 1 1.944 2 3 0 -4.49195783118402 1520152 C1COC2=C(O1)C=C(C(=C2)N)C(=O)C3=CC(=CC=C3)Br 1 3.021 1 3 -2.36532218226721 1520127 COC1=CC=C(C=C1)CC(=S)NCCC2=CC=CC=C2 1 4.054 1 1 -4.96163779627832 1520108 C1CCCC2=C(CC1)C3=C(S2)NC(=S)NC3=O 1 4.018 2 1 -11.0786703565305 1520092 CC(C)CNC1=NC(=NC(=N1)N2CCOCC2)OC3=NN(C(=O)C=C3)C 1 1.117 7 3 0 -8.98398995955367 1520091 C1COCCN1C2=NC(=NC(=N2)OC3=NN(C(=O)C=C3)C4=CC=CC=C4)N5CCOCC5 1 1.396 7 4 0 -3.53248654239307 1520090 CN1C(=O)C=CC(=N1)OC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 -0.181 7 4 0 -5.95230538367101 1520089 CC(C)CNC1=NC(=NC(=N1)N2CCOCC2)OC3=NN(C(=O)C=C3)C4=CC=CC=C4 1 2.694 7 3 0 -6.56417111827574 1520087 CCNC1=NC(=NC(=N1)N2CCOCC2)OC3=NN(C(=O)C=C3)C 1 0.274 7 3 0 -7.85643960659892 1520085 CNC1=NC(=NC(=N1)N2CCOCC2)OC3=NN(C(=O)C=C3)C 1 -7.4e-002 7 3 0 -8.50935156188718 1519992 CC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C 1 1.741 4 4 0 -12.2251473749488 1519978 CCN(CC)C1=CC=C(C=C1)C(=S)NCC2=CC=CC=C2 1 4.575 2 0 -6.03818299021467 1519951 CC1=CC=CC=C1C(=O)NNC(=O)CSC2=NC(=CC(=N2)C)C 1 2.058 4 2 -17.8973485953574 1519926 CN(C)C1=CC=C(C=C1)C(=S)NCC2=CC=CO2 1 3.059 2 1 -5.08346889871902 1519842 CC(C)CC1=CC=C(O1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 3.305 1 4 -6.5111497992771 1519798 C1=CC=C(C=C1)N2C(=NN=N2)OC3=CC=CC4=C3N=CC=C4 1 3.005 5 1 -8.25294406581463 1519791 C1CCC2(CC1)NC(=O)C3=C(N2C(=O)C4=CC=CC=C4)CCCC3 1 3.329 2 2 -12.0037364305402 1519789 CC1=CC=C(C=C1)C(=O)N2C3=C(CCCC3)C(=O)NC24CCCCC4 1 3.815 2 2 -11.2080888630308 1519786 COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2C3=CC=CC(=C3)C(F)(F)F 1 4.571 3 3 -1.65430305239243 1519739 C1CN(CCN1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 2.817 2 1 -4.21849392924378 1519685 COC1=CC=CC(=C1)C2=CC(=O)NN2 1 0.448 2 2 0 -6.54116298915983e-002 1519540 C1=CC=C2C=C(C=CC2=C1)OC3=C(C=C(C(=C3)C#N)C#N)N4C5=CC=CC=C5N=N4 1 5.443 5 1 0.553503308610829 1519528 CCOC(=O)C1=CC=C(O1)CN2C(=NN=C2C3=CC=CC=C3)C4=CC=CC=C4 1 4.51 3 3 -2.33732127989441 1519524 COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)SC3=CC=CC=C3N 1 1.861 2 5 0 -20.4851401468683 1519307 CCC(=O)NC1=CC=CC(=C1)C2=C(C(=NC(=C2C(=O)OC)C)C)C(=O)OC 1 2.261 2 5 0 -5.32143197681586 1519141 C1CC1NC(=O)CN2C=NC(=N2)[N+](=O)[O-] 1 -0.24 5 3 0 -12.4962049783575 1519134 CC1=CC(=C(C=C1N)N)N2CCCC2=O 1 0.404 3 1 0 -7.56748644346724 1519125 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=CO3 1 1.163 3 3 0 -12.4208050658146 1519124 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)NC3=NC4=C(S3)C=C(C=C4)Cl 1 5.208 2 1 2.94949900847741 1519118 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCCN2C(=O)CCC2=O 1 0.732 2 6 0 -21.9513724028653 1519082 CCC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)C(=O)O 1 1.846 4 3 0 -11.0524820235097 1519059 CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)C=C(S2)C(=O)OC)C3=CC=C(C=C3)C(=O)OCC 1 4.307 2 7 0 -7.66629054096376 1519056 COC(=O)C1=CC(=O)N(C(=NC2=CC=C(C=C2)F)S1)C3=CC=C(C=C3)F 1 4.309 2 3 -3.19917902312464 1518984 COC(=O)C1=CC(=O)N(C(=NC2CC2)S1)C3CC3 1 1.725 2 3 0 -6.06039595207698 1518983 COC(=O)C1=CC(=O)N(C(=NCC2=CC=CS2)S1)CC3=CC=CS3 1 3.392 2 3 -6.91847758933643 1518981 COC(=O)C1=CC(=O)N(C(=NC2=CC(=C(C=C2)F)Cl)S1)CCC3=CC=CC=C3F 1 5.302 2 3 -1.3828377695774 1518979 COC1=C(C=C(C=C1)CCN2C(=O)C=C(SC2=NC3=CC(=C(C=C3)F)Cl)C(=O)OC)OC 1 5.064 2 5 0 -4.2571556190708 1518978 COC1=CC=C(C=C1)CCN2C(=O)C=C(SC2=NC3=CC(=C(C=C3)F)Cl)C(=O)OC 1 5.08 2 4 -0.119202986480128 1518975 COC(=O)C1=CC(=O)N(C(=NC2=CC(=C(C=C2)F)Cl)S1)CC3=CC4=C(C=C3)OCO4 1 4.543 2 5 0 -1.40976715308732 1518966 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCO4)C(=O)N(C1=O)C 1 1.232 3 6 0 -14.6299573742794 1518913 CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)[N+](=O)[O-] 1 3.508 3 2 5.18426330080319 1518906 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 5.704 2 4 -11.3911453974827 1518871 COC(=O)C1=CC(=O)N(C(=NCC2=CC=C(C=C2)F)S1)CC3=CC=C(C=C3)F 1 4.323 2 3 -5.13397191005673 1518870 COC1=CC=C(C=C1)CN=C2N(C(=O)C=C(S2)C(=O)OC)CC3=CC=C(C=C3)OC 1 3.879 2 5 0 -6.09004229575668 1518869 CCN1C(=O)C=C(SC1=NC2=CC(=C(C=C2)F)F)C(=O)OC 1 3.082 2 3 -2.7554417487405 1518867 COC(=O)C1=CC(=O)N(C(=NC2=CC=C(C=C2)F)S1)CC3=CC=CO3 1 3.293 2 4 -3.94788088932861 1518866 CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)C=C(S2)C(=O)OC)CCCN3CCOCC3 1 2.415 3 6 0 -10.5566083402634 1518782 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)NC(=O)CSC3=NN=NN3C4=CC=CC5=CC=CC=C54 1 4.515 5 3 0 -18.8324008840726 1518779 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=C(C(=C3)Cl)O)N 1 2.121 2 3 1.87115591260787 1518670 CCN=C1N(C(=O)C=C(S1)C(=O)OC)CC 1 1.443 2 3 0 -6.48004507609601 1518596 C1=CC(=CC=C1C2=CN=CN=C2N)[N+](=O)[O-] 1 1.256 4 2 0 0.806501690224902 1518588 CC1=CC(=NC2=NN=C(N12)SCCN3C(=O)C4=CC=CC=C4C3=O)C 1 2.549 5 2 0 -12.4989751243702 1518537 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C3=NNC(=S)N3C4=C(C=C(C=C4)C)Br 1 4.63 5 1 -7.06042827355335 1518528 CCOC1=CC=C(C=C1)C2=CC(=NC3=C2C(=O)N(C(=O)N3C)C)C(=O)OC 1 2.499 3 5 0 -9.63711923333904 1518526 CN1C2=C(C(=CC(=N2)C(=O)OC)C3=CC=CC=C3)C(=O)N(C1=O)C 1 2.167 3 4 0 -9.00348923743712 1518517 COC1=CC(=C(C=C1)C(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl)OC 1 4.928 2 2 5.50557155804707 1518458 CS(=O)(=O)NN1C(=O)C2=CC=CC=C2NC13CCCC3 1 0.865 3 3 0 -8.00750075307903 1518388 CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)C=C(S2)C(=O)OC)CC3=CC4=C(C=C3)OCO4 1 3.878 2 7 0 -7.48619481617321 1517964 COC1=CC=C(C=C1)/C=C\2/C(=O)N=C(N2)C3=CC=CC=C3Cl 1 3.313 2 2 -3.29001230777711 1517919 CN(C)C1=NC(=NC(=N1)N)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43 1 2.133 9 0 0 -14.7950571488854 1517873 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4 1 4.153 3 2 -2.48001483277462 1517775 CCOC(=O)C1=C(OC2=CC(=C(C(=C21)Br)O)Br)C 1 3.738 0 4 -1.38338486236797 1517735 COC1=C(C=C(C=C1)Cl)C2=NC(=NO2)C3=CC=C(O3)Br 1 3.756 2 3 6.15452771647369 1517734 COC1=CC(=CC(=C1OC)OC)C2=NC(=NO2)C3=CC=C(O3)Br 1 3.059 2 5 0 2.41106909652359 1517688 CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=N4)C(=O)C 1 3.978 5 1 -3.44565665969806 1517682 C1=CC(=CC=C1OCC2=NC(=NO2)C3=CC=C(O3)Br)Cl 1 3.608 2 3 4.41738211053951 1517499 C1COCCN1C(=O)C2=CC(=CC=C2)NC(=O)C3=NC=NN3 1 -0.117 5 3 0 -11.8107296206431 1517496 C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NC4=CC=CC=C4S3 1 4.848 1 2 -0.139383971722405 1517495 C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=C4F)F 1 4.554 2 2 -3.79175832258181 1517492 C1COCCN1C(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43 1 1.662 5 2 0 -21.6623246349755 1517476 C1=CC=C(C=C1)C(C2=CC=CC=C2)SC3=NC=C(N3)C4=CC=C(C=C4)[N+](=O)[O-] 1 5.7 3 2 0.782457430690179 1517413 COC(=O)CN1C(=S)N(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.591 3 2 -5.14405167989322 1517386 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NNC(=O)CC3=CC=C(C=C3)OC 1 2.232 5 3 0 -15.2230190022429 1517328 C1CCC(CC1)NC2=CC=CC=C2N 1 2.75 2 0 -2.26523574650783 1517362 CC(C)COC(=O)N1C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC1=O 1 3.199 2 6 0 -13.6382954813549 1517209 CC(C)(C(=O)N1CCC2=CC=CC=C21)OC3=CC=C(C=C3)Br 1 4.274 1 2 -6.80963447901496 1517201 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=CC=C4)C)F)C(=O)O 1 4.444 4 4 0 -10.4269664799003 1517174 C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)N6CCOCC6 1 2.332 7 3 0 7.50413250226929 1517107 CCOC(=O)NC1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC 1 3.616 2 6 0 -8.56914274222262 1517029 COC1=CC(=C(C=C1)OC)C2=C(C(=S)NC3=C2CCCC3)C#N 1 3.623 2 2 -9.3079373280733 1517008 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)C3=CC(=CC=C3)C(F)(F)F)C)C 1 4.897 1 3 7.08358096060487 1516852 C1CCC(=NCC1)NC2=NN=C(O2)C3=CC=C(C=C3)F 1 2.425 4 1 -1.59219569496806 1516842 C1=CC=C(C(=C1)C(=O)NC(=O)NC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3)F 1 4.613 4 2 -4.32525504653104 1516841 CCOC1=C(C=C(C=C1)CC(=O)NC2CC(N(C(C2)(C)C)C)(C)C)OCC 1 3.013 2 3 -12.6859331201915 1516805 C1CCC2(CC1)NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CC=C4 1 3.194 3 2 -9.00943171958553 1516804 C1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC(=C4)C(=O)O)N 1 3.219 3 3 -14.9396292272157 1516459 CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC4=C(C=C3)OCO4 1 3.722 3 4 0 -12.6588593213768 1516454 CC1=CC(=NC2=C1C(=C(S2)C(=O)C(C)(C)C)N)C 1 3.34 2 1 -5.38132314705125 1516321 C1CCCN(CC1)CC2=C(C=CC(=C2)C3=CC=CC=C3)O 1 4.553 1 1 11.0909627756224 1516237 CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)O)Br)OC(=O)C3=CC=C(C=C3)OC 1 5.047 2 7 0 -18.120688556814 1516231 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=C(C=C3)F 1 4.307 2 5 0 -16.5329331847478 1516230 C1=CC(=CC(=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)/C#N)C(=O)O 1 4.323 2 4 -12.3506586955679 1516225 CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=CC=C3Cl 1 5.115 2 5 0 -18.0152220843418 1516221 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=C(C=C3)Cl 1 4.766 2 5 0 -15.4228115196262 1516220 C1=CC(=CC(=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)/C#N)C(=O)O 1 4.782 2 4 -11.2405370304464 1516213 CC1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC(=C3)C(=O)O)OC 1 4.588 2 5 0 -17.2448102102131 1516178 CC1=CC(=C(C=C1)NC(=S)NN2CCOCC2)C 1 2.814 3 1 -8.64122995462403 1515820 C1CCN(CC1)C2=NC3=CC=CC=C3C=C2/C=C(\C#N)/C(=O)N 1 2.323 4 1 -4.85959609355389 1515698 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C4=CC=CC=C4N=C3SC 1 2.364 5 2 0 -17.801779151795 1515550 CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)N(C2=O)CC3=CC=CO3 1 2.695 3 4 0 -10.9225117852829 1515549 CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=CO3 1 2.695 3 4 0 -10.9225117852829 1515464 COC1=C(C=C(C=C1)C=NNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])OC 1 2.945 3 5 0 -15.8760477325843 1515366 COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC(=C(C=C3)O)O 1 2.555 4 4 0 -9.78211147513324 1515360 C1=CC=C(C=C1)C2=CC(=O)C(=NN2)C(=O)C3=CC=CC=C3 1 2.673 2 2 -6.52718512083466 1514935 COC1=CC=C(C=C1)N2C(=S)N=C(C23CCCCC3)NC4=CC=CC=C4 1 5.889 3 1 -0.458188646018877 1514909 CCCS(=O)(=O)C1=C2C(=CC=CN2C(=C1S(=O)(=O)CCC)C(=O)C3=CC=C(C=C3)F)C(=O)N 1 3.362 2 6 0 -14.5808279127784 1514789 C1=CC=C(C=C1)P(=O)(CC2=C(C=CC(=C2)Br)O)C3=CC=CC=C3 1 5.49 0 2 1.21392308106105 1514711 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3)F 1 1.624 2 4 0 -19.4527804250363 1514690 C1COCCN1C(=S)C2=CC(=CC=C2)OC(=O)/C=C/C3=CC=CC=C3 1 4.255 1 3 -11.2163762335417 1514493 COC1=C(C=C(C=C1)C2=C(N3C=CC=CC3=N2)N=CC4=CC(=C(C=C4)OC)OC)O 1 4.361 3 4 0 3.71244597515347 1514485 CC(C)C1=NN=C(S1)NC(=O)C2=CC(=CC=C2)NC(=O)C(F)(F)F 1 2.687 4 2 -12.8609606877531 1514461 COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)/C=C/C3=CC=CO3 1 3.633 1 5 -13.3618560144589 1514441 C1CN(CC2=CC=CC=C21)CC(=O)O 1 -1.575 1 2 0 -8.47269559351572 1514008 COC1=CC=C(C=C1)COC(=O)NC2=C(SN=C2SC)SC 1 3.92 2 3 -5.41380268504418 1513973 COC1=C(C=CC(=C1)C=NNC(=O)COC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=CO3 1 3.223 3 8 0 -14.6211774951391 1513961 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3 1 3.24 3 7 0 -12.5682256019933 1513957 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-] 1 2.347 3 6 0 -12.3238781890367 1513632 COC1=C(C=C(C=C1)C=NNC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)OC 1 4.219 5 3 0 -4.67511384191752 1513433 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(O3)C(=O)C4=CC=C(C=C4)Cl 1 3.987 1 4 -1.65097159847861 1513417 CN1CCC(CC1)OC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 1.809 1 5 0 -9.09149555456296 1513374 C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC(=NC(=N3)N4C=CN=C4)N5C=CN=C5 1 3.543 8 0 0 0.612770435438813 1513334 CC(=C1CC2=CC=CC=C2C1=O)C 1 3.22 0 1 2.91131798703551e-002 1513097 COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=C(C=C(C=C3)OC)OC 1 3.418 3 5 0 -8.11051972020708 1512949 C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CN=CC=C3 1 2.859 4 5 0 -13.862823724139 1512505 C[C@H]([C@@H](C1=CC=CC=C1)O)N(C)C(=O)CN 1 6.8e-002 2 2 0 -5.76625969448736 1512476 COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)F)N 1 3.417 3 2 -0.421291700613732 1512459 C1=CC2=C(C=C1C(=O)O)C(=C(N2)C(=O)O)CC(=O)O 1 1.339 1 6 0 -4.35039467785855 1512455 CCCC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=CC=C3F)OCCO2 1 3.468 1 4 -14.3686149246006 1512454 C1=CC(=CC(=C1)Cl)N2C(=O)C3=C(C2=O)C=NC=C3 1 1.952 2 2 0 -2.39748940457376 1512445 CCN1C(=C(C=N1)Br)C(=O)NC2=CC=C(C=C2)C3=CC=NO3 1 2.917 4 2 -4.21549626725802 1512406 C1CCN(CC1)C(=O)CCCN2C=C(C=N2)[N+](=O)[O-] 1 1.126 4 3 0 -14.5566774062914 1512358 C1=CC(=CC=C1NC2=NN=CC(=O)N2N)Cl 1 1.017 5 1 0 -1.65429468255809 1512351 C1=CC=C2C(=C1)N=C(N2CC3=CC=CC=N3)S(=O)(=O)CC(=O)N 1 1.12 4 3 0 -9.67757482506323 1512279 COC1=C(C=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=CC=C3)N)OC 1 3.195 3 3 -5.73297821364602 1512274 CC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2N=C(N3)C(F)(F)F 1 3.965 3 1 -3.91237344065191 1512265 COC1=NC2=CC=CC=C2N=C1CCC(=O)OC 1 2.17 2 3 -6.30043155072016 1512224 C1=CC=C(C(=C1)COC(=O)C2=C(N=CC=C2)N)C#N 1 1.789 3 2 0 -7.52466143411494 1512222 C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2)N=CN3)F 1 2.335 3 1 -5.48041590084318 1512220 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=CC3=NC=CN=C3C=C2 1 3.021 3 1 -4.29920534279041 1512190 COC1=C2C=CC=C(C2=NC=C1C(=O)OC)C(F)(F)F 1 2.797 1 3 -2.32744834190804 1512170 C1CCC2=NN=C(N2CC1)CNC3=CC(=CC=C3)Cl 1 3.078 4 0 -6.68862284947106 1512164 C1=CC=C(C(=C1)OC2=NC(=NN2CC(=O)N)[N+](=O)[O-])F 1 1.372 5 4 0 -3.90717974260709 1512162 CC1=C(C(=NN1CC2=NOC(=N2)C(=O)NCC3=CC=C(C=C3)F)C)Br 1 2.301 5 2 0 -9.46741683596263 1512161 CC1=C(C(=NN1CC2=NOC(=N2)C(=O)NCC3=CC=CC=N3)C)Br 1 1.16 6 2 0 -12.3840474548756 1512160 CC1=C(C(=NN1CC2=NOC(=N2)C(=O)NCC3=CC(=CC(=C3)OC)OC)C)Br 1 2.063 5 4 0 -13.519138852334 1512157 C1=CC=NC(=C1)CNC(=O)C2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F 1 2.425 4 2 0.246977376266372 1512156 C1=CC(=CC=C1C2=NOC(=N2)C(=O)NCC3=CC=NC=C3)C(F)(F)F 1 2.21 4 2 1.92772651893811 1512155 C1=CC(=CN=C1)CNC(=O)C2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F 1 2.21 4 2 -7.11584306951675e-002 1512122 CC1=CC(=NC(=N1)NC2=NNC(=N2)C)C 1 0.592 6 0 0 -3.09466913670112 1512121 C1=CC(=CC(=C1)F)NC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N 1 3.365 3 2 -4.08264993525771 1512090 COC1=CC=C(C=C1)C(=O)NC2=NNC(=N2)C3=CC=NC=C3 1 1.653 5 2 0 -2.39928442804674 1512083 CC(=O)NCCC1=NC2=C(N1C)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.272 4 3 0 -5.36967674396773 1512081 CC(=O)NCCC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=C(C=C3)F 1 2.11 4 2 -8.53332111831741 1512080 CC(=O)NCCC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC 1 1.888 4 3 0 -9.6581643529268 1512075 COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N4CCN(CC4=N3)C5CCCCC5 1 4.263 4 2 -5.20794638562349 1512074 COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N4CCN(CC4=N3)C5CCCCC5 1 4.263 4 2 -6.56128653302309 1512073 CCC(=O)NC1=CC2=C(C=C1)N3CCN(CC3=N2)C4CCCCC4 1 3.282 4 1 -4.44650823815682 1512072 CC(=O)NC1=CC2=C(C=C1)N3CCN(CC3=N2)C4CCCCC4 1 2.615 4 1 -4.51290878191489 1512045 CCCN1CC2=C(NC1)N(C(=S)NC2=O)CCC3=CC(=C(C=C3)OC)OC 1 3.409 4 3 0 -9.9650507825681 1512040 CC1(CN2C3=C(CN(CN3)C4CCCCC4)C(=O)N=C2S1)C 1 2.966 4 1 -10.248300550222 1512039 CC1(CN2C3=C(CN(CN3)CCC4=CC=CC=C4)C(=O)N=C2S1)C 1 3.013 4 1 -9.05844061637143 1512027 COC(=O)C1=NN(C=C1)CC(=O)NC2CCCCC2 1 1.681 3 3 0 -15.7653786025622 1512022 CCOC(=O)C1=CC=C(O1)CNC(=O)CN2N=C(N=N2)C3=CC=CC=C3F 1 2.031 5 4 0 -12.2791888560864 1511959 CC1=NN=C2N1N(C(=C(S2)C(=O)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C 1 0.943 5 4 0 -5.65580044110676 1511958 CCOC1=CC=C(C=C1)N(CC2=NN=C3N2CCCCC3)C(=O)NC4=CC=CC(=C4)C 1 4.322 5 2 0 -9.33393682502562 1511942 CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)F)F)N3CCN(CC3)C 1 2.751 3 2 -0.102043392415213 1511941 CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)F)F)N3CCOCC3 1 2.481 2 3 -4.67053491114164 1511906 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCOCC3)F)[N+](=O)[O-] 1 1.713 3 4 0 -2.02805368494167 1511904 C1CCN(C1)C2=C(C=C(C=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)F)F)F)C(=O)O)F 1 4.195 2 3 -3.82582372778934 1511893 C1=CC(=C(C=C1NC2=NC3=C(S2)C(=O)C=C(N3)O)Cl)F 1 3.263 3 2 1.05576823779725 1511882 COC1=CC(=C(C=C1)OC)C2=C(C(=NC3=C2C(=O)N=C4N3C=CS4)N)C#N 1 2.003 5 3 0 -13.3315469185413 1511880 COC1=CC=CC(=C1)C2=C(C(=NC3=C2C(=O)N=C4N3C=CS4)N)C#N 1 2.019 5 2 0 -10.0041266934015 1511818 C1=CC=C(C(=C1)NC(=O)CCN2C=NN=N2)F 1 0.23 5 1 0 -22.6717357967183 1511817 C1=CC(=CC(=C1)F)NC(=O)CCN2C=NN=N2 1 0.23 5 1 0 -19.6258789840742 1511784 C1=CC2=C(C(=C(C=C2[N+](=O)[O-])Cl)O)N=C1 1 2.333 2 3 1.76540796298825 1511774 CC1=CC=C(C=C1)C(=O)NC(=O)CSC2=C(C=CC=N2)C(=O)O 1 2.384 2 4 -14.224928934747 1511773 CC1=CC=C(C=C1)C(=O)NC(=O)CSC2=NN=CN2C 1 1.477 4 2 0 -19.1564174155193 1511748 CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2C(=O)N)Cl 1 1.708 4 2 0 -8.854671376437 1511740 CCN1C=C(C(=N1)C(=O)NC2=CC(=C(C=C2)OC)OC)Cl 1 2.673 3 3 -10.91851688106 1511738 CCN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Cl 1 2.417 3 5 0 -10.8791214816672 1511737 CCN1C=C(C(=N1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)Cl 1 3.648 3 1 -1.22258554240236 1511735 CC1=C(C=NN1C)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 0.898 3 4 0 -6.24122476686209 1511731 CC1=NC(=NC2=CC3=C(C=C12)OCO3)NC(=O)C4=CC=C(C=C4)OC 1 2.728 3 4 0 -5.48150364447882 1511721 CC1=CC(=CC=C1)CN2C=CC(=N2)N 1 2.342 3 0 -3.51848410156678 1511720 CC1=C(C(=NN1CC(=O)NCCC2=CNC3=CC=CC=C32)[N+](=O)[O-])Br 1 3.065 5 3 0 -18.6370536616917 1511719 CC1=CC(=NN1CC(=O)NCCC2=CNC3=CC=CC=C32)[N+](=O)[O-] 1 2.316 5 3 0 -21.9079042836724 1511712 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CN3C=C(C=N3)[N+](=O)[O-] 1 1.632 5 3 0 -18.9657456109394 1511700 CC1=C(C(=NN1CCCC(=O)NCC2=CC(=C(C=C2)OC)OC)C)[N+](=O)[O-] 1 1.982 4 5 0 -21.591090919035 1511699 CC1=C(C(=NN1CC(=O)NCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-])Br 1 2.417 4 5 0 -20.4828984467314 1511696 COC1=C(C=C(C=C1)CNC(=O)CN2C=CC(=N2)[N+](=O)[O-])OC 1 1.523 4 5 0 -21.4640297507666 1511690 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CN3C=CC(=N3)[N+](=O)[O-] 1 2.171 5 3 0 -19.6181849657269 1511666 COC1=CC=C(C=C1)NC2=NNC(=C2C(=O)N)N 1 8.9e-002 5 2 0 -1.46718086340424 1511665 COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N4CCCSC4=N3)OC 1 2.669 3 3 -15.4202963154051 1511664 CC1=CC2=C(C=C1)NC3=C2N=C4N(C3=O)CCS4 1 3.126 3 1 -6.7224751803071 1511643 CC1=CC(=NN1CC(=O)NC2=CC=CC3=NON=C32)[N+](=O)[O-] 1 1.265 6 4 0 -11.694689589862 1511642 CC1=C(C(=NN1CC(=O)NC2=CC=CC3=NON=C32)[N+](=O)[O-])Br 1 2.013 6 4 0 -8.42383896788135 1511640 CC1=NN(C(=C1)NC(=O)CCCN2C=CC(=N2)[N+](=O)[O-])CC3=CC=C(C=C3)F 1 2.965 6 3 0 -21.4419925136603 1511638 CC1=CC(=CC=C1)CN2C(=CC(=N2)C)NC(=O)CCCN3C=CC(=N3)[N+](=O)[O-] 1 3.245 6 3 0 -21.6753592378876 1511627 CC1=C(C(=NN1CCCC(=O)NC2=NC=CS2)C)[N+](=O)[O-] 1 1.005 5 3 0 -13.6636038567794 1511624 CC1=C(C(=NN1CCCC(=O)NC2=CC=CC=N2)C)[N+](=O)[O-] 1 1.396 5 3 0 -11.4604033323958 1511617 CC(C)NC(=O)CCCN1C=C(C=N1)[N+](=O)[O-] 1 0.729 4 3 0 -22.641879232898 1511608 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C=C(C=N4)[N+](=O)[O-] 1 0.948 5 5 0 -10.227056779342 1511531 CCOC(=O)C1=C(N(N=C1N)C(=O)C2=CC=CC=C2F)C3=CC=C(C=C3)OC 1 3.923 3 4 0 -4.40924935395509 1511530 C1=CC(=C(C=C1Cl)Cl)NC(=O)CCN2C=NN=N2 1 1.353 5 1 0 -19.5843650892615 1511527 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=NC4=CC=CC=C4C=C3 1 3.834 3 2 -10.5614609868423 1511517 C1CN(CCC1C(=O)N)CC(=O)NC2=C(N=CC=C2)Cl 1 0.153 4 2 0 -5.12233653060944 1511511 CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4)OC 1 4.328 3 3 5.71632480708587 1511497 C1=CC(=CC=C1C2=C(C(=NC3=C2C(=O)N=C4N3C=CS4)N)C#N)F 1 2.241 5 1 -9.87126145431232 1511494 CN1C(=O)CC2=C1C=CC(=C2)S(=O)(=O)NCCC3=CC=CC=C3 1 1.841 2 3 0 -7.32160468371321 1511491 CN1C(=O)CC2=C1C=CC(=C2)S(=O)(=O)NCC3=CC=CS3 1 1.26 2 3 0 -8.89997817159351 1511480 C1=CC(=CC(=C1)Cl)CN2C=CC=C(C2=O)[N+](=O)[O-] 1 1.872 2 3 0 -1.0091867622787 1511459 CC1=CC2=NSN=C2C(=C1C)S(=O)(=O)N3CCN=C3CC4=CC=CC=C4 1 3.609 4 2 -6.23078319146346 1511455 C1=CC=C(C=C1)NC(=O)CCN2C=NN=N2 1 2.4e-002 5 1 0 -21.5735387880779 1511454 C1=CC(=CC=C1NC(=O)CCN2C=NN=N2)F 1 0.23 5 1 0 -20.7050076242393 1511453 C1=CC(=C(C=C1NC(=O)CCN2C=NN=N2)Cl)Cl 1 1.353 5 1 0 -19.7967959564912 1511419 CCCN1C(=NN=N1)NCC2=C(C=C(C=C2)Cl)Cl 1 2.803 5 0 -14.6389117518269 1511418 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C)S(=O)(=O)NCCN5CCOCC5 1 2.192 6 3 0 -12.7188131115664 1511416 COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC=CC=C3N4C2=NN=N4 1 1.638 6 3 0 -8.75384794811368 1511415 CCOC(=O)CNC1=NC2=CC=CC=C2N3C1=NN=C3C 1 1.127 5 2 0 -10.6944622017054 1511413 C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NN=N4 1 1.687 6 0 0 -4.38046537328143 1511410 CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2NC4=CC5=C(C=C4)OCO5)C 1 3.708 5 2 0 -4.9788234908429 1511401 CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3)C 1 9.9e-002 3 3 0 -14.9341817802781 1511384 CCCN1CC2=C(NC1)N(C(=S)NC2=O)C3=CC=CC=C3Cl 1 3.873 4 1 -5.1028231898358 1511383 CCCN1CC2=C(NC1)N(C(=S)NC2=O)CCC3=CC=CC=C3 1 3.442 4 1 -6.36878474983452 1511382 CCCN1CC2=C(NC1)N(C(=S)NC2=O)C3=CC=C(C=C3)Cl 1 3.873 4 1 -4.41605617377153 1511280 CC(=O)N1CCC2(CC1)NC(=O)N(N2)C3=CC=CC=C3 1 0.385 4 2 0 -4.04244911065108 1511256 C1C2CC3CC1CC(C2)(C3)SC4=NSC(=N4)N 1 3.159 3 0 4.40137917741052 1511250 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC=CC=C43 1 2.25 3 2 -13.1214940242979 1511241 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC4=CC=CC=C43 1 2.707 3 2 -11.5921236973896 1511238 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=NC=C3 1 2.821 2 2 -6.79001646394074 1511235 CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=O)OC)C(=O)OC 1 2.237 2 6 0 -4.00404589784838 1511226 C1CC2=C(C1)C(=O)N(C3=CC=CC=C23)CC(=O)O 1 1.917 1 3 0 -8.33158488708282 1511224 CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)NC4=CC=CC=C4C#N 1 3.129 5 1 -1.03925275668381 1511213 CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCN3CCCCC3 1 2.878 4 2 2.49960667851832 1511207 CC1=NN2C(=NN=C2C3=CC=CC=C13)COC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Cl 1 4.253 5 2 0 -11.3542632557439 1511206 CCC(=O)NC1=CC=C(C=C1)OCC2=NN=C3N2N=C(C4=CC=CC=C43)C 1 2.591 5 2 0 -10.5923042307382 1511203 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C)S(=O)(=O)NC(C)(C)CO 1 2.409 5 3 0 -11.6249529842123 1511196 CC1=NN2C(=NN=C2C3=CC=CC=C13)CN(C4=CC=CC=C4)C(=O)COC5=CC=CC=C5 1 3.646 5 2 0 -10.9682863725209 1511175 C1C(N=C(O1)/C=C/C2=CC=CC=C2)(CO)CO 1 1.038 1 3 0 3.84721908962397 1511173 C1C(N=C(O1)CCC2=CC=CC=C2)(CO)CO 1 1.061 1 3 0 0.779394991872778 1511169 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl 1 2.482 4 3 0 -6.92475073246861 1511145 CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)OC)Cl)OC 1 2.276 1 4 -9.92237204528312 1511129 COC(=O)COC1=CC=C(C=C1)N2C=NN=N2 1 0.407 4 3 0 -17.6732000952055 1511124 C1COCCN1C(=O)NC2=CC=CC=C2C(=O)O 1 0.469 2 4 0 -10.2563671745235 1511116 C1C2=C(C=CC(=C2)N3C=CC=C3)C(=O)O1 1 2.315 1 2 -1.17111406368793 1511103 COC(=O)C1=CC(=C(C=C1)N2CCCCC2)NC(=O)C3=CC=CO3 1 2.944 2 4 -8.00731357978035 1511092 CCC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 4.067 2 3 -3.37615060680796 1511087 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)OC 1 3.108 2 4 -7.36780627581343 1511080 CCOC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2F 1 2.932 2 3 -7.96699331515585 1511079 COC1=CC(=CC(=C1OC)OC)C2=NC(CO2)(CO)CO 1 0.521 1 6 0 -1.46579202667635 1511076 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=C(C=C3Cl)F)F 1 2.071 4 1 -0.437203654813766 1511068 COC1=CC=C(C=C1)C2=NC(CO2)(CO)CO 1 0.554 1 4 0 1.89174673326624 1511057 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C4=CC=CC=C4S3)Cl 1 2.813 4 1 3.30646560098183 1511056 CCC1=NN=C(S1)NC(=O)C2(COC(OC2)C3=CC=CC=C3)C 1 2.135 3 3 -12.366317048618 1511049 CCC1=NN=C(S1)NC(=O)C2(COC(OC2)C3=CC=C(C=C3)OC)C 1 2.119 3 4 0 -12.3269295735019 1511046 CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3OCCCO3 1 3.013 1 4 -3.69177482430481 1511025 C1=CSC(=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.938 1 1 -8.42210320914205 1511023 CC1=CC=C(C=C1)C(=O)NCCC2=CC=CS2 1 3.096 1 1 -9.69736761773699 1511015 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)(C(=O)N)N3CCCCC3)OC 1 0.865 3 5 0 -21.470539840115 1511013 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C(=O)N)N3CCCCC3 1 1.8e-002 4 4 0 -21.2192902777934 1510973 CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 2.86 3 4 0 -7.80428219544065 1510958 CC1=CC(=CC=C1)CN2C(=CC(=N2)C)NC(=O)C3=CC(=CC=C3)F 1 3.946 3 1 -11.0376703400287 1510954 CC1=CC(=CC=C1)CN2C=CC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4 1 3.641 3 3 -10.3766184960006 1510949 CC1=CC(=CC=C1)CN2C(=CC(=N2)C)NC(=O)CN3C=C(C=N3)[N+](=O)[O-] 1 2.137 6 3 0 -16.5013945770099 1510913 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(F)(F)F 1 4.163 3 3 -0.200141474079818 1510815 CC1=C(N=NN1C2=NC(=NC(=N2)N(C3=CC=CC=C3)C4=CC=CC=C4)N)C(=O)C 1 3.53 8 1 0 -8.23991584534848 1510791 COC1=CC(=C(C=C1C=NNC(=O)C2=CC=NC=C2)[N+](=O)[O-])OC 1 1.394 4 5 0 -8.05427356368208 1510654 C1=CC=C(C=C1)CS(=O)(=O)C2=NC3=CC=CC=C3N2CC4=CC=CC=N4 1 3.85 3 2 -13.1938067634688 1510651 CCS(=O)(=O)C1=NC2=CC=CC=C2N1CC3=CC=CC=N3 1 2.615 3 2 -12.7488668221266 1510646 COC1=C(C=C(C=C1)CCNC(=O)C2=[N+](ON=C2N)[O-])OC 1 -1.755 4 5 0 -9.33283089272149 1510629 CC1=NC(=C(C(=C1)COC)C#N)NC2CC(NC(C2)(C)C)(C)C 1 1.732 4 1 0 -13.5833072276986 1510628 CC1=CC(=NC(=C1C#N)SCC2=NC(=O)C3=CC=CC=C3N2)C 1 2.923 4 1 -12.7734598949017 1510626 CC1=NC(=C(C(=C1)COC)C#N)SCC2=NC(=O)C3=CC=CC=C3N2 1 2.241 4 2 -13.6023079964162 1510515 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC2=NNC(=S)N2CC=C 1 5.768 3 1 -8.96361257825496 1510496 CCOC1=C(C=C(C=C1)CC2=C3C(=NO2)CCCC3=O)OCC 1 3.322 1 4 -13.3423851324999 1510476 CC1=NN(C=C1S(=O)(=O)NCC2=CC=CC=C2Cl)C 1 1.921 3 2 0 -3.90523343176165 1510459 CC1=CC(=NN1C(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C)C 1 2.185 5 3 0 -11.7942066966806 1510447 CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)F)CC3=CC=C(C=C3)F 1 3.666 3 1 -11.2932075019398 1510442 CC1=NN(C(=C1)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-])CC3=CC=C(C=C3)F 1 2.426 6 3 0 -19.8453295111216 1510441 CC(C)N1C=C(C=N1)NC(=O)C2=CC(=CC=C2)OC 1 1.974 3 2 0 -5.77815485082596 1510434 CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)CC#N)[N+](=O)[O-])Br 1 2.357 5 3 0 -10.7068172545628 1510425 CC1=NC(=CC=C1)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C 1 2.114 5 3 0 -9.15535488439531 1510419 C1=CC(=C(C=C1F)OCC(=O)NC2=CN(N=C2)CCCC(=O)O)[N+](=O)[O-] 1 1.25 4 6 0 -15.8459236991585 1510418 CC1=NC2=CC=CC=C2C(=C1)CNC(=O)CC3=CC=C(C=C3)F 1 3.33 2 1 -6.28073489968425 1510408 CC1=NC2=CC=CC(=C2O1)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-] 1 2.942 2 5 0 -5.35753445513489 1510405 CC1=NC2=CC=CC(=C2O1)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 2.643 3 3 -1.38021178241764 1510379 CC1=CC=CC=C1N2C(=O)C3=C(S2)C=C(C=C3)F 1 3.849 1 1 2.21950937424105 1510373 CCC(=O)C1=C(C=C(OC1=O)C)NCCC2=CC=CC=C2 1 2.334 1 3 -9.11779924971978 1510322 C1CN(CCN1)C2=CC=C(C=C2)C(=O)C3=CN=CC=C3 1 1.667 3 1 0 -5.51726227665289 1510281 CCC(=O)C1=C(C=C(OC1=O)C)NC(C)C 1 1.155 1 3 0 -12.2751167130232 1510280 CCC(=O)C1=C(C=C(OC1=O)C)NC 1 0.429 1 3 0 -10.5681440722094 1510250 C=CCN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CN=CC=C4 1 2.286 5 3 0 -21.655877950263 1510228 C1=CC(=CC=C1OC2=NC(=NN2CC(=O)N)[N+](=O)[O-])Br 1 1.915 5 4 0 -4.18337848783863 1510211 C1=CC=C(C=C1)N2C3=C(C(=O)N=C(N3)C4=CC=CC=C4Cl)SC2=S 1 5.337 3 1 -4.75893765609977 1510186 CCN1C=C(C=N1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 1.102 3 4 0 -8.32205892870925 1510184 CCN1C=C(C=N1)S(=O)(=O)NC2=C(C=CC(=C2)F)C 1 2.008 3 2 -4.39766133538258 1510182 CCN1C=C(C=N1)S(=O)(=O)NC2=CC=CC=C2C(F)(F)F 1 2.258 3 2 -4.81865419954909 1510172 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3)C 1 0.818 2 5 0 -19.3406936161778 1510119 COC1=CC2=C(C=C1)NC3=C2N=C4N(C3=O)CCCS4 1 2.686 3 2 -12.2362464004457 1510082 C1CN2C(=O)C3=C(C4=C(N3)C=CC(=C4)F)N=C2SC1 1 2.908 3 1 -10.8669712570084 1510074 COC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC(=CC=C3)Cl)N 1 3.256 4 3 0 -6.49993035318462 1510073 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC(=CC=C3)OC)N 1 3.078 4 3 0 -9.66261783713706 1510044 CC1=CC2=C(C=C1)NC(=C2CCNC(=O)C3=[N+](ON=C3N)[O-])C 1 -0.797 5 3 0 -2.29540105557026 1510040 C1=CC(=CC=C1N2C(=C(C(=O)NC2=O)Br)N)F 1 1.209 3 2 0 -2.25971924982435 1509921 CN1C=C(C=N1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 0.753 3 4 0 -5.56995960983973 1509911 CN1C(=CC=N1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 1.341 3 3 0 -13.9247719892357 1509903 CCOC1=C(C=C(C=C1)CCNC(=O)C2=NC=CN=C2C(=O)O)OCC 1 1.793 3 5 0 -16.8526828402772 1509899 CCOC(=O)C1=NC=CN=C1C(=O)NC2=CC=C(C=C2)C(F)(F)F 1 2.317 3 3 -6.4540085701507 1509898 CCOC(=O)C1=NC=CN=C1C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.317 3 3 -5.68396286785826 1509886 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)N=C1CN4CCCCC4 1 4.184 4 1 -1.39475892977581 1509864 CCC1=NNC(=O)N1CN2C(=NNC2=O)CC 1 -3.5e-002 6 2 0 -6.34136227260211 1509852 CC1=CC(=NN1CC(=O)NCC2=NC3=CC=CC=C3N2)[N+](=O)[O-] 1 1.411 6 3 0 -18.9980062400959 1509851 CN1CCN(CC1)C(=O)C2=C(N(C3=CC(=C(C=C32)OC)Br)C)CSC4=CC=CC=C4 1 4.636 3 2 -1.81086887396512 1509848 CC1=C(C(=NN1CC(=O)NC2CCCCCC2)[N+](=O)[O-])Br 1 3.181 4 3 0 -12.8553668307642 1509845 CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-])Br 1 1.564 5 4 0 -12.5690091095734 1509843 CC1=C(C(=NN1CC(=O)NC2=NC=CS2)[N+](=O)[O-])Br 1 1.44 5 3 0 -11.3490612667314 1509816 CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=[N+](ON=C3N)[O-] 1 -1.283 5 3 0 -3.66769620337577 1509811 COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.412 2 5 0 -16.4811082434151 1509786 CC1=CC(=NN1C2=NC3=CC=CC=C3N4C2=NN=N4)C 1 1.429 7 0 0 -11.3279650897469 1509784 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3OC)N=C1CN4CCCCC4 1 3.503 4 2 -2.91599119664871 1509782 C1=CC=C2C(=C1)NC(=N2)CNC(=O)CN3C=CC(=N3)[N+](=O)[O-] 1 1.265 6 3 0 -16.7082869221505 1509773 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)CN3C=C(C=N3)[N+](=O)[O-] 1 0.974 6 3 0 -16.2213091171935 1509749 COC1=C(C=C(C=C1)C2=NOC(=N2)C(=O)NCC3=CC=CC=C3Cl)OC 1 3.049 3 4 0 -6.39631327740524 1509705 CC1=CC(=NN1CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[N+](=O)[O-] 1 0.788 6 4 0 -24.1319878154621 1509704 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C=CC(=N3)[N+](=O)[O-] 1 0.642 6 4 0 -21.6539719031829 1509697 CC1=CC(=NN1C(=O)CCCN2C(=C(C(=N2)C)[N+](=O)[O-])C)C 1 1.749 5 3 0 -14.3486598832535 1509690 CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C(C)C)[N+](=O)[O-])Br 1 3.637 4 3 0 -9.09563167616849 1509682 CC1=CC(=NO1)NC(=O)CCCN2C(=C(C(=N2)C)[N+](=O)[O-])C 1 1.146 5 4 0 -21.1408796688868 1509676 CC1=C(C(=NN1CCCC(=O)NC2=C(C=C(C=C2)Br)F)C)[N+](=O)[O-] 1 2.962 4 3 0 -10.0514603672368 1509647 CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)OC)CC3=CC=C(C=C3)F 1 3.444 3 2 -12.1658677543164 1509641 CCOC(=O)CN1C(=CC(=N1)C)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.678 3 6 0 -19.4976122456295 1509639 C1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=CC(=CC=C3)F 1 3.592 3 1 -8.83386275102247 1509632 CC1=CC(=CC=C1)CN2C=CC(=N2)NC(=O)C3=CN=CC=C3 1 2.722 4 1 -10.0200969699338 1509622 CCOC(=O)C1=C(N2C(=NC(=N2)C)N=C1)N 1 0.193 5 2 0 -10.0529337049297 1509371 COC1=CC=C(C=C1)CCC(=O)NCCC2=NC3=CC=CC=C3N2 1 3.053 3 2 -12.1559061124618 1509364 C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2O)C(=O)O 1 2.037 1 4 -6.5795462294248 1509347 C1=CC=C2C(=C1)C=CC=C2CN3C=CC(=N3)NC(=O)C4=CN=CC=C4 1 3.144 4 1 -10.1556153389099 1509346 C1OC2=C(O1)C=C(C=C2)C3=NC(=O)C4=C(N3)N(C(=S)S4)C5=CC=CC=C5 1 4.441 3 3 -6.69015975895734 1509337 COC1=CC=CC(=C1)COC(=O)C2=NN(N=C2N)C3=CC=CC=C3 1 3.05 4 3 0 -4.77796385953179 1509330 COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N4CCN(CC4=N3)CC5=CC=CC=C5 1 3.988 4 2 -5.86158548596161 1509288 CN1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=C3)C(=O)OCCN(C)C)OC)Br 1 5.258 2 3 -1.27634434935343 1509257 CCN1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)N4CCC5=CC=CC=C5C4)N 1 2.996 4 1 -15.7564304003661 1509236 CC1=NC(=C2C(=C1)COC2=O)SCC(=O)NCC3=CC=C(C=C3)Cl 1 2.959 2 3 -14.3550812217806 1509235 CC1=NC(=C(C(=C1)COC)C(=O)N)OC 1 0.29 2 3 0 -4.33741385989867 1509229 CC1=C(C=C(C=C1)NC(=O)CSC2=C3C(=CC(=N2)C)COC3=O)C 1 3.26 2 3 -12.8780656002135 1509201 C1=CC=C2C(=C1)C=CC(=N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 5.51 2 2 5.34071006217904 1509196 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN(C=C3)CC4=CC=CC=C4 1 3.155 3 3 -11.8582402963519 1509191 CC1=NN(C(=C1)NC(=O)CN2C=C(C=N2)[N+](=O)[O-])CC3=CC=C(C=C3)F 1 1.856 6 3 0 -16.2680278527826 1509190 CCOC(=O)CN1C(=CC(=N1)C)NC(=O)C2=CC=NC=C2 1 0.577 4 3 0 -16.2753262771308 1509189 CCOC(=O)CN1C(=CC(=N1)C)NC(=O)C2=CN=CC=C2 1 0.577 4 3 0 -17.443769250676 1509180 C1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=CC=C(C=C3)F 1 3.592 3 1 -8.84912461232179 1509168 CC1=CC(=CC=C1)CN2C(=C(C(=N2)C)NC(=O)C3=CC=C(C=C3)F)C 1 3.967 3 1 -5.55961297075515 1509163 CC1=C(C=CC(=C1)OCC(=O)NC2=CN(N=C2)CCCC(=O)O)Cl 1 2.301 3 4 0 -12.8118575404145 1509150 CN1C(=CC=N1)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.498 3 1 -5.15708868078068 1509139 CC1=CC2=NC(=CN2C=C1)CSC3=CC=CC=C3N 1 2.65 3 0 -4.53110029420664 1509138 CC1=NN(C=C1S(=O)(=O)NCCC2=CC=C(C=C2)OC)C 1 1.561 3 3 0 -3.76909252310312 1509136 CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CN(N=C2C)C 1 1.72 3 3 0 -3.08700825907822 1509135 CC1=NN(C=C1S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)C 1 1.036 3 4 0 -5.05444710550748 1509112 C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)F)C(=O)NN=CC3=CC=C(C=C3)F 1 3.879 3 2 -7.9559850698998 1509109 CCOC1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC 1 3.784 3 4 0 -10.9756597169275 1509062 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NNN=N3)CC4=CC=CC=C4F 1 2.093 8 2 0 -21.9913334533957 1509054 CCOC(=O)C1=CC=C(O1)CNC(=O)CN2N=C(N=N2)C3=CC(=CC=C3)C 1 2.312 5 4 0 -7.59913845831662 1509024 CC1=NC(=C(N1C)C(=O)OCC2=CC=CC=C2C#N)[N+](=O)[O-] 1 2.226 4 4 0 -5.61561949112249 1509019 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F)N=C1CN4CCCCC4 1 3.428 4 2 2.52294113619465 1509017 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)N=C1CN4CCCCC4 1 4.184 4 1 0.672313850481844 1509016 CCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CCCCC3)C 1 2.522 4 1 -0.801212901782446 1508979 C#CCN1C2=CC=CC=C2N=C1C3=CC=CS3 1 4.622 2 0 -1.04274399697027 1508969 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC3=CC=CC4=C3OC(C4)(C)C 1 2.183 3 4 0 -20.011647763014 1508968 COC1=CC=C(C=C1)OCC2=CC(=O)NC3=CC=CC=C32 1 2.763 1 3 -6.69800350432803 1508965 CC1=NC2=CC=CC=C2N(C1=O)CC(=O)OC 1 0.746 2 3 0 -7.89807352893968 1508964 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCN3C=CC=C3 1 2.597 2 2 -4.61417816322702 1508889 CC1=CC(=NN1C(=O)CN2C(=CC(=N2)[N+](=O)[O-])C)C 1 1.437 5 3 0 -14.4969443273693 1508884 CC1=CC(=NN1CC(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-] 1 2.32 5 3 0 -10.3052555011197 1508883 C1=CC=C2C(=C1)N=C(S2)NC(=O)CN3C=CC(=N3)[N+](=O)[O-] 1 2.175 5 3 0 -8.01553618317431 1508863 CC1=C(C(=C(C=C1)S(=O)(=O)N)C)N2C=NN=N2 1 0.394 5 2 0 -15.2407961186667 1508858 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)CN3C=CN=C3 1 3.233 3 1 -1.62575965219605 1508837 C1=CN=C(N=C1)SC2=NN3C(=NN=N3)C=C2 1 0.553 7 0 0 -8.19611823297018 1508831 CCOC(=O)C1=CN=C2N=C(NN2C1=O)C 1 -1.188 4 3 0 -7.46177019371612 1508818 CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)O)C(=O)OC 1 3.648 1 4 -1.5066722609705 1508789 CC1=C(C(=O)N2C(=N1)N=CN2)NS(=O)(=O)C3=CC=C(C=C3)F 1 -0.52 5 3 0 -7.48877944958197 1508761 C1CN2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC1 1 2.702 3 1 -13.2881915975416 1508760 COC1=CC2=C(C=C1)NC3=C2N=C4N(C3=O)CCS4 1 2.623 3 2 -7.79494579828623 1508717 CCSC1=NC2=CC=CC=C2N1CC3=NC(=NC(=N3)N(C)C)N 1 2.408 7 0 0 -7.0962830858539 1508705 CCOC(=O)C1=C(N=C(C2=C1C3=CC=CC=C3OC2=O)C)C 1 2.569 1 4 -6.27145562081302 1508695 CN1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=C3)C(=O)N4CCOCC4)OC)Br 1 4.366 2 3 -6.13620169860947 1508676 CCN1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NC4=C(N=CC=C4)Cl)N 1 2.431 5 1 -12.6798389306691 1508673 COC1=C(C=C(C=C1)S(=O)(=O)N2CN3CCN(C3)C2)OC 1 0.775 3 4 0 -16.6241506617906 1508672 COC1=CC=C(C=C1)NC(=O)N2CCN3C2=NC4=CC=CC=C43 1 2.794 4 2 -3.0373669571961 1508670 CC1=NN(C=C1S(=O)(=O)NC2=CC(=CC=C2)Cl)C 1 1.914 3 2 0 2.09629287002828 1508669 CC1=NN(C=C1S(=O)(=O)NC2=CC=C(C=C2)C(F)(F)F)C 1 2.192 3 2 2.96340415062299 1508667 CC1=NN(C=C1S(=O)(=O)NC2=CC(=C(C=C2)F)F)C 1 1.661 3 2 0 0.18326280220079 1508661 CCOC1=CC=CC=C1NS(=O)(=O)C2=CN(N=C2C)C 1 1.582 3 3 0 -5.45568980377945 1508655 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=NON=C3C 1 2.023 5 3 0 -11.0803117605662 1508654 CC1=NON=C1NC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC 1 1.675 5 3 0 -9.98120909089378 1508624 COC1=C(C=C(C=C1)C2=NOC(=N2)C(=O)NCC3=CC=C(C=C3)F)OC 1 2.591 3 4 0 -4.32079682145652 1508621 C1=CSC(=C1)C2=NOC(=N2)C(=O)NCC3=CC=C(C=C3)F 1 2.577 3 2 -6.40312079755874 1508616 C1=CC=C(C=C1)CN2C=CC(=N2)N 1 1.855 3 0 0 -5.13994380613977 1508612 C1CSC2=NC3=C(C(=O)N21)NC4=C3C=C(C=C4)F 1 2.845 3 1 -6.42567065484895 1508543 CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3)C(=O)N 1 1.527 3 5 0 -11.8038141197409 1508542 CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2Cl)C(=O)N 1 2.323 2 4 -9.6388954058217 1508539 COC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC3=C(C=C2)OCO3 1 2.274 1 5 -5.48677788769097 1508518 CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2CCOCC2)NC(=O)CCC3CCCCC3 1 3.26 3 5 0 -17.4805686376739 1508514 CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2CCOCC2)NC(=O)C3CCCCC3 1 2.559 3 5 0 -7.81630038225886 1508512 C1CCC(CC1)NC(=O)CSC2=NN=NN2CC3=CC=CC=C3 1 2.725 5 1 -26.7627751000588 1508510 CC(C)NS(=O)(=O)C1=C2C=CC=C3C2=C(CC3)C=C1 1 2.976 1 2 -9.63194640044118 1508507 C1CC1NS(=O)(=O)C2=C3C=CC=C4C3=C(CC4)C=C2 1 2.739 1 2 -8.00063840207437 1508490 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4C(=O)O)C(=O)O 1 5.061 2 4 -11.5789488954869 1508484 CCOC(=O)NC1=CC=C(C=C1)CC2=CC=NC=C2 1 2.766 2 2 -3.87671229148801 1508466 COC1=C(C(=C(C=C1)C(=O)N2CCC(CC2)C3=CC=CC=C3)OC)OC 1 3.396 1 4 -3.23520347321979 1508462 CCOC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N 1 0.565 2 4 0 -13.0645288251372 1526715 CC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC(=O)O)C4=CC=CC=C4 1 5.188 3 3 1.50979349938726 1508460 CCOC1=C(C=C(C=C1)S(=O)(=O)NC(C)C)C(=O)N 1 0.801 2 4 0 -15.9161480471698 1508458 CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)N 1 1.659 2 4 0 -8.43091774512943 1508419 CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2CC2 1 1.234 1 3 0 -9.11697480534236 1508416 C1CSC2=NC3=C(C(=O)N21)NC4=CC=CC=C43 1 2.64 3 1 -8.84689099538216 1508415 COC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC(=CC=C3)OC)N 1 2.575 4 4 0 -10.165560099978 1508414 COC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=CC=C3Cl)N 1 3.256 4 3 0 -13.0649585666463 1508411 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC(=CC=C3)F)N 1 3.3 4 2 -7.27347556383293 1508409 C1CSC2=NC3=C(C(=O)N21)N(C4=C3C=C(C=C4)F)CC(=O)NC5=CC=CC=C5F 1 3.893 4 2 -12.3019692502242 1508404 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCCC3=CC=CS3 1 4.139 1 1 -14.5680301228576 1508403 C1=CC=C(C=C1)CCC(=O)NCCC2=CC=CS2 1 3.1 1 1 -15.4309839039368 1508397 C1CC1N2C3=C(C=C(C=C3)C(F)(F)F)NC2=S 1 4.322 2 0 0.862248962013067 1508394 C1=CC=C2C(=C1)C=C(O2)C(=O)CCNC3=CC(=CC=C3)F 1 3.943 1 2 3.95603937101513 1508360 C1=CC2=CN=C(N2C=C1)C3=CC=C(C=C3)Br 1 3.265 2 0 4.65221635818422 1508345 C1CCC2=C(C1)C=C3C(=NC(=NC3=N2)SCC4=CC=C(C=C4)Cl)N 1 5.056 4 0 -7.64931608874152 1508317 CN1C=CC(=N1)C(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)F)F 1 3.536 3 3 -10.7017086392065 1508312 CC1=C(C=C(C=C1)NC(=O)CN2C3=C(C=C(C=C3)F)C4=C2C(=O)N5CCSC5=N4)F 1 4.379 4 2 -9.44354868144189 1508311 C1CSC2=NC3=C(C(=O)N21)N(C4=C3C=C(C=C4)F)CC(=O)NC5=C(C=C(C=C5)Cl)F 1 4.557 4 2 -8.91245040611399 1508305 C1CSC2=NC3=C(C(=O)N21)N(C4=C3C=C(C=C4)F)CC(=O)NC5=CC=CC=C5C(F)(F)F 1 4.63 4 2 -11.6638993794501 1508298 C1CSC2=NC3=C(C(=O)N21)N(C4=C3C=C(C=C4)F)CC5=CC(=O)N6C=C(C=CC6=N5)Cl 1 3.164 5 2 0 -12.8517966066557 1508272 C1=CC=NC(=C1)NC(=O)CN2C=CC(=N2)[N+](=O)[O-] 1 0.938 5 3 0 -10.126992046383 1508267 C1=CC(=CC(=C1)F)C(=O)NC(=O)NC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F 1 4.865 4 2 0.52716143685865 1508259 CCC1=C(N=C(NC1=O)SCC2=NC(=O)C3=CC=CC=C3N2)O 1 2.311 4 3 0 -12.3649439155347 1508258 CC1=CC=CC=C1C(=O)NC2=CC(=NN2C3=CC(=CC=C3)F)C 1 3.94 3 1 -6.83883777278726 1508235 CCOC1=C(C=C(C=C1)CCN2C(=O)C3=C(C2=O)N=CC=C3)OCC 1 2.709 2 4 -5.07690818306344 1508194 CN1C(=C(OC1=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC 1 2.908 1 4 -1.16948434026757 1526594 C1=CC=C(C=C1)OCC(=O)NCC(=O)NC2=CC=CC3=CC=CC=C32 1 2.418 2 3 -12.0303823378242 1508121 CCOC1=C(C(=CC(=N1)C)COC)C(=O)N 1 0.639 2 3 0 -5.25933367871029 1508115 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)OC2=CC=C(C=C2)Cl 1 3.673 2 3 -12.4242947374951 1508100 CN1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NC4CC4)N 1 1.273 4 1 0 -12.7937966294148 1508078 CN1C=NN=C1SC2=NC(=NN2C)[N+](=O)[O-] 1 0.982 7 2 0 -10.3933335553379 1507951 CC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)S(=O)(=O)N5CCN(CC5)CCO 1 1.99 6 3 0 -14.2552427541265 1507945 CC1=CC(=NN1)NC(=O)CN2C3=C(C=C(C=C3)OC)C4=C2C(=O)N5CCSC5=N4 1 2.594 6 3 0 -14.2662488221083 1507937 CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3)N=C1CN4CCOCC4 1 2.126 4 3 0 -4.35756362255566 1507932 C1=CC=NC(=C1)SC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-] 1 2.989 4 2 -5.73390894866975 1507923 CC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=C(C=C4)F 1 2.025 5 2 0 -3.28781595287101 1507922 CC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=C(C=C4)Cl 1 2.484 5 2 0 -2.17769428774944 1507921 CC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=CC=C4Cl 1 2.484 5 2 0 -4.2447670680071 1507909 C1=CC=C2C(=C1)C=CC3=C(O2)C=C(C=C3C(=O)N)[N+](=O)[O-] 1 2.443 2 4 -3.23914259588104 1507707 CC1=NC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Cl 1 3.911 3 3 -11.5623204675134 1507661 COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NC3=CC=C(C=C3)OCC(=O)O 1 2.674 1 6 0 -8.33686801250362 1507618 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=CN(N=C2)CCCC(=O)O 1 1.045 4 6 0 -17.5072304748251 1507586 CC1=CC=C(C=C1)C(=O)C2=NNC(=CC2=O)C3=CC=C(C=C3)OC 1 3.143 2 3 -5.37695588410601 1526572 CC1=CC(=NO1)NC(=O)C(C)(C)C 1 1.635 2 2 0 -18.8480511659498 1507427 CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)COC2=CC=CC=C2[N+](=O)[O-])C 1 1.478 4 6 0 -16.0652868335774 1507425 CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)COC2=CC(=C(C=C2)C)C)C 1 2.556 3 4 0 -12.715469271057 1507424 CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)COC2=CC(=CC=C2)Cl)C 1 2.248 3 4 0 -10.9873552734878 1507423 CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C 1 1.643 4 5 0 -14.4465808611597 1507419 CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)CCC2=CC=CC=C2)C 1 2.239 3 3 -15.2972048209295 1507415 C1=CC2=NN=C(N2C=C1)C3=CC=C(C=C3)Cl 1 2.91 3 0 1.17249271426829 1507414 CCOC(=S)SCC1=CN2C=CC=CC2=N1 1 3.009 2 1 -6.4903822502882 1507408 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=CC=C4)F)C#N 1 3.385 3 2 1.6778409838749 1507407 CC1=C(C2=NC3=CC(=C(C=C3N2C(=C1)Cl)F)F)C#N 1 3.985 3 0 -5.94722785801571 1507368 COC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C4=C2C(=O)N5CCSC5=N4 1 3.465 4 3 0 -13.5096993940999 1507365 COC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3C4=C2C(=O)N5CCSC5=N4 1 3.465 4 3 0 -16.7968609295234 1507364 C1CSC2=NC3=C(C(=O)N21)N(C4=CC=CC=C43)CC(=O)NC5=CC=CC=C5C(F)(F)F 1 4.424 4 2 -14.1266318485328 1507363 COC1=CC=CC(=C1)NC(=O)CN2C3=CC=CC=C3C4=C2C(=O)N5CCSC5=N4 1 3.465 4 3 0 -13.250388225937 1507357 C1CN(C2=NC3=CC=CC=C3N21)C(=O)C4=CC=CC=C4Br 1 3.65 3 1 -2.3062487185555 1507350 CC1=CC(=NC2=C1C3=C(S2)C(=NC=N3)N4CCN(CC4)CC5=CC=CC=C5)C 1 3.98 5 0 2.19731728509215 1507333 CC1=C(C2=NC3=CC(=C(C=C3N2C(=C1)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)F)F)C#N 1 4.129 6 1 0 -19.9521669149322 1507316 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)C=NN3)OC 1 2.431 3 3 -1.50384628839455 1507315 COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)C=NN3)Cl 1 2.609 3 3 -5.00929008507608 1507311 COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)NC2=CC=CC3=C2NN=C3 1 2.593 3 4 0 -5.10687830581609 1507303 C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)F)NN=C2 1 2.167 3 2 -1.4423271993265 1507282 CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 1.263 5 3 0 -3.61295722091669 1526385 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.569 3 3 -14.6218057549859 1526383 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NC4=CC=CC=C4S3 1 2.643 2 3 -7.50257639463509 1526378 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 4.157 5 1 -12.4071968249056 1526372 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.187 2 6 0 -23.8706583474847 1526370 CC1=CC(=NN1C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C 1 1.161 3 4 0 -22.3512286176457 1507263 CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)OC)C3=CC(=CC=C3)F 1 3.437 3 2 -4.33111567943567 1507233 C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=O)C=C2O)F 1 3.795 1 2 1.82926767989734 1507230 COC(=O)CN1C2=CC=CC=C2N(C(=O)C1=O)CC(=O)OC 1 -0.123 2 6 0 -5.93599947625087 1507065 C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC2=CN(N=C2)CCCC(=O)O 1 1.045 4 6 0 -15.8776021201625 1507064 C1=CC=C(C(=C1)OCC(=O)NC2=CN(N=C2)CCCC(=O)O)F 1 1.356 3 4 0 -14.0377842816425 1507062 C1=CC(=CC(=C1)Cl)OCC(=O)NC2=CN(N=C2)CCCC(=O)O 1 1.815 3 4 0 -12.4292989147355 1507061 C1=CC(=C(C=C1F)F)OCC(=O)NC2=CN(N=C2)CCCC(=O)O 1 1.561 3 4 0 -13.683175608309 1507060 CC1=C(C=CC(=C1)OCC(=O)NC2=CN(N=C2)CCCC(=O)O)[N+](=O)[O-] 1 1.531 4 6 0 -18.5132075144054 1507035 CC1=NC2=CC=CC=C2C(=C1)CNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C 1 3.471 3 3 -7.76078624741279 1507028 C1=CC(=CC(=C1)Cl)OCC2=NC(=NO2)C3=CC=NC=C3 1 2.494 3 2 4.98496810749766 1507025 COC1=CC(=CC=C1)OCC2=NC(=NO2)C3=CC=C(O3)Br 1 2.927 2 4 1.59281148363247 1507022 CC1=CC(=CC(=C1)OCC(=O)NC2=CN(N=C2)CCCC(=O)O)C 1 2.123 3 4 0 -14.1066115989271 1507021 CC1=CC(=C(C=C1)OCC(=O)NC2=CN(N=C2)CCCC(=O)O)[N+](=O)[O-] 1 1.531 4 6 0 -15.5441463905998 1507006 CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)COC2=CC(=C(C=C2)[N+](=O)[O-])C)C 1 1.964 4 6 0 -17.2595604674914 1506997 CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C 1 2.129 4 5 0 -15.6719913738597 1506996 CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)COC2=C(C=C(C=C2)F)F)C 1 1.994 3 4 0 -12.2412319670612 1506995 CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C 1 1.478 4 6 0 -14.4356584789147 1506966 C1=CC=C(C=C1)OC2=CC=C(C=C2)CN3C=C(C(=O)NC3=O)Br 1 2.79 2 3 -0.721934340033598 1506964 CC1=NN(C2=C1C=C(S2)C3=NNC(=S)O3)C4=CC=CC=C4 1 4.083 4 1 -7.42626542735592 1506954 CC1(CC2=C(C(=NC(=C2CO1)N3CCOCC3)SCC(=O)OC)C#N)C 1 2.196 3 4 0 -22.713068602926 1506944 CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C 1 2.307 4 5 0 -13.8802658420396 1506942 CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)C2=CC=C(O2)Br)C 1 1.711 3 4 0 -11.4236732709869 1506940 CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)COC2=CC=C(C=C2)OC)C 1 1.567 3 5 0 -12.8995034719012 1506939 CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)COC2=CC=CC=C2)C 1 1.583 3 4 0 -12.8294947035263 1506934 CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)CCC2=CC=C(C=C2)OC)C 1 2.223 3 4 0 -14.824313176659 1506927 C1CC(=O)N(N=C1C(=O)O)C2=CC=CC=C2 1 0.933 2 3 0 -9.92802267500496 1506925 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)N(C(=O)C1=O)C 1 1.231 3 4 0 -15.3164764858746 1506920 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N(C(=O)C1=O)C 1 0.496 3 4 0 -14.4583965492012 1506919 CC1=C(C=CC=C1F)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C(=O)N3C)C 1 1.642 3 4 0 -3.96383269443341 1506866 C1=CSC(=C1)CNC(=O)C2=NC(=NO2)C3=CC=CS3 1 2.111 3 2 -9.17722556278223 1506870 COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NO2)C3=CC=CS3)OC 1 2.66 3 4 0 -10.8011612003326 1506897 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=CC=C(C=C2)N3C=CC=C3 1 3.448 2 4 -10.6987444364847 1506894 COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3C=CC=C3)OC 1 3.464 2 3 -11.7769398535474 1506893 C1=CC=C(C=C1)OCC(=O)NCC2=CC=C(C=C2)N3C=CC=C3 1 3.333 2 2 -8.77130133969406 1506878 C1=CC=C(C=C1)CC(=O)NCC2=CC=C(C=C2)N3C=CC=C3 1 3.532 2 1 -9.54294165397152 1506862 C1=CC(=CN=C1)CNC(=O)C2=NC(=NO2)C3=CC=CS3 1 1.221 4 2 0 -9.73528144995807 1506861 C1=CC=NC(=C1)CNC(=O)C2=NC(=NO2)C3=CC=CS3 1 1.436 4 2 0 -9.41714564299653 1506858 C1=CC=C(C=C1)CCNC(=O)C2=NC(=NO2)C3=CC=CS3 1 2.692 3 2 -7.30228939412379 1506857 COC1=CC=CC=C1CCNC(=O)C2=NC(=NO2)C3=CC=CS3 1 2.676 3 3 -11.2632767085798 1506838 CC1=NC2=CC=CC=C2C(=C1)CNC(=O)COC3=CC=C(C=C3)C#N 1 2.804 3 2 -9.30846420685005 1506837 CC1=NC2=CC=CC=C2C(=C1)CNC(=O)COC3=CC=CC=C3F 1 3.131 2 2 -7.10571800302906 1506794 CC1=NC2=C(C(=N1)OCC(C)C)SC3=NC4=C(COC(C4)(C)C)C=C23 1 3.863 3 2 -17.1023838686938 1506778 COC1=C(C=C(C=C1)/C=C/2\C(=O)N=C(S2)NS(=O)(=O)CC3=CC=CC=C3)OC 1 3.328 2 5 0 -13.1067010555313 1506745 CCOC(=O)NC1=NN(C(=O)C(=C1C)C#N)C2=CC=C(C=C2)C 1 2.581 4 3 0 -6.16134471564537 1506742 CC1=C(C(=O)N(N=C1C(=O)N2CCCCC2)C3=CC=C(C=C3)OC)C#N 1 2.302 4 3 0 -8.9011083120855 1506741 CC1=C(C(=O)N(N=C1C(=O)N2CCCCC2)C3=CC=C(C=C3)Cl)C#N 1 2.983 4 2 -6.66614341235454 1506733 CC1=CC(=NN1CC2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.847 3 2 -6.71428756179981 1506691 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.477 3 4 0 -13.7315935494955 1506680 CC1=C(C=CC=C1F)NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCOCC3 1 2.094 2 5 0 -13.0700077037599 1506644 CC(C)NS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)N2CCOCC2 1 0.552 2 5 0 -21.671573626242 1506643 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCOCC3 1 0.493 2 5 0 -23.2972004012957 1506609 CS(=O)(=O)NCC1=CC=C(C=C1)C(=O)O 1 0.377 1 4 0 -6.10963903973848 1506593 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NNC(=O)N3C4=CC=CC=C4 1 1.922 6 3 0 -26.9817112121857 1506585 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CN=C(C=C2)OC)OC 1 2.421 2 4 -10.4606848489319 1506549 COC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)C 1 2.124 1 4 -10.7262567603779 1506534 COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)C)OC 1 2.107 1 5 -15.4240988050618 1506533 CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.469 1 3 -9.17786404686048 1506526 CC(C)NS(=O)(=O)C1=CC(=C(C=C1OC)OC)S(=O)(=O)NC(C)C 1 1.072 2 6 0 -12.6901160330711 1506525 COC1=CC(=C(C=C1S(=O)(=O)N2CCCCC2)S(=O)(=O)N3CCCCC3)OC 1 1.865 2 6 0 -13.936670483664 1506516 C1COCCN1C(=O)COC2=CC=C(C=C2)NC(=O)NC3=CC=CC4=CC=CC=C43 1 2.368 3 4 0 -12.5215402423261 1506515 C1COCCN1C(=O)COC2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl 1 2.124 3 4 0 -7.90413125241547 1506500 CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=CC=C3 1 3.287 2 1 -3.04894316827045 1506499 COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=CC=C3 1 2.784 2 2 -3.46190937741459 1506498 COC1=C(C=CC(=C1)SC)C(=O)NC2=CC3=C(C=C2)N=CC=C3 1 3.326 2 2 -1.2512544102606 1506493 COC1=NC=C(C=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.516 2 2 -12.9108172769364 1506492 COC(=O)COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3 1 3.213 1 4 -8.82597724599807 1506477 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(O3)C(=O)C4=CC=C(C=C4)F 1 3.528 1 4 -2.76109326360017 1506476 C1CCN(CC1)C2=NC(=NC(=N2)CSC3=CC=C(C=C3)Cl)N 1 3.378 5 0 3.55165846133719 1506472 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4 1 3.016 3 3 -18.8486406947655 1506471 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N 1 2.106 3 3 -19.356813076862 1506416 CC1=CC(=C(C=C1)OCC(=O)OC)N2N=C3C=CC=CC3=N2 1 3.349 3 3 -7.99770547628621 1506407 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N 1 1.333 3 4 0 -21.6694643124798 1506406 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.224 3 7 0 -21.1680573729547 1506405 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl 1 1.933 3 5 0 -17.8541319045908 1506394 CCS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-] 1 1.829 4 4 0 -19.9577038488645 1506393 CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 2.756 3 4 0 -10.6858044452071 1506392 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCOCC3 1 1.217 2 4 0 -23.5527943957463 1506386 C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CC(=O)NC4=CC=CC=C4C(=O)O 1 1.539 5 5 0 -6.41827104402405 1506381 COC1=CC=CC(=C1)CN2C3=CC=CC=C3N=C2C4=NON=C4N 1 3.069 5 2 0 -3.67862756598602 1506374 CCOC(=O)C1=CC=C(O1)CNC(=O)CN2N=C(N=N2)C3=CC=CC=C3 1 1.825 5 4 0 -11.1785359210775 1506320 C1=CC=C2C(=C1)N=C(C3=NN=NN23)NC4=CC=C(C=C4)Cl 1 2.352 6 0 -2.23339954730886 1506319 C1=CC=C2C(=C1)N=C(C3=NN=NN23)NC4=CC(=CC=C4)F 1 1.893 6 0 0 -1.96904554725742 1506306 C1CCN(CC1)CCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br 1 3.269 4 1 -8.3832234679484 1506300 C1CCC2=C(C1)C3=C(S2)N(C(=O)N4C3=NC=N4)CC(=O)C5=CC=CC=C5 1 3.879 4 2 -13.1286586368936 1506296 CC1CCN(CC1)C2=NC(=C3COC(CC3=C2C#N)(C)C)C4=CC=CO4 1 3.611 3 2 -8.20675613466254 1506263 CCC(=O)C1=C(CC(CC1=O)(C)C)NCCC2=NC3=CC=CC=C3N2 1 2.747 3 2 -11.6259221209054 1506262 CC(=O)C1=C(CC(CC1=O)(C)C)NCCC2=NC3=CC=CC=C3N2 1 2.08 3 2 -9.47155894094933 1506261 CCC(=O)C1=C(CCCC1=O)NCCC2=NC3=CC=CC=C3N2 1 2.289 3 2 -8.53030997115786 1506214 CCCN(CCC)C1=NC(=O)N=C(N1)N(CCC)CCC 1 3.762 5 1 -5.83921190466469 1506196 C1=CC=C2C(=C1)NC(=N2)CCC(=O)NC3=CC=CC=C3F 1 2.812 3 1 -9.2759853858849 1506146 CC1=CC=C(C=C1)C2=CC(=NC3=C2C(=O)N(C(=O)N3C)C)C(=O)OC 1 2.653 3 4 0 -8.52897282112192 1506126 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3Cl)OC 1 2.628 5 5 0 -10.1872799994187 1506120 CC(=O)NC1=NC(=NC(=N1)CN2N=C(N=N2)C3=CC4=C(C=C3)OCO4)N(C)C 1 0.565 9 3 0 -5.77043335052083 1506110 CCC1=CC2=C3C(=C1)/C(=C/4\C(=O)N(C(=S)S4)CC)/C(=O)N3C(C=C2C)(C)C 1 4.709 2 2 -7.11944581143328 1506091 CCN1C2=C(C(=NC(=N2)C3=CC=CC=C3)N4CCN(CC4)C)SC1=S 1 4.391 5 0 5.3292487271566 1506090 CCN1C2=C(C(=NC(=N2)C3=CC=CC=C3)N4CCCC4)SC1=S 1 4.894 4 0 2.70431184531102 1506085 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCOCC3 1 -1.647 4 6 0 -25.3587741201149 1506084 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCCCC3 1 -0.417 4 5 0 -23.4005913986652 1506081 CC1=CN=C(N1CCOC(=O)NC(=O)C2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.73 4 5 0 -8.24658813674604 1506080 COC1=CC=CC=C1C(=O)NC(=O)NC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3 1 4.438 4 3 0 -1.75423126475755 1506079 CC1CCN(CC1)CC(=O)NC2=CC(=C(C=C2C#N)OC)OC 1 1.971 3 3 0 -12.9587157403423 1506064 CC1=CC2=C(C=C1)N=C(C3=NN=CN23)N4CCOCC4 1 1.495 5 1 0 3.31960183052321 1506054 CCC1=CC2=C3C(=C1)/C(=C/4\C(=O)N=C(S4)N)/C(=O)N3C(C=C2C)(C)C 1 3.31 3 2 -6.05300147662378 1506042 CC1=NC(=C(N1C)C(=O)OCC2=CC=C(C=C2)C#N)[N+](=O)[O-] 1 2.226 4 4 0 -5.26996815371166 1506041 CC1CCN(CC1)CC(=O)NC2=NN(N=C2C(=O)N)C3=CC=CC=C3 1 1.672 6 2 0 -8.91271980841152 1506037 CC1=NN(C(=C1C2=CC=CC=C2)N)C3=CC=CC=C3OC 1 3.219 3 1 -1.06138079951317 1506035 CC1=CC=C(C=C1)C(=O)NC(=O)OCCN2C(=CN=C2[N+](=O)[O-])C 1 2.274 4 5 0 -12.0306516184121 1506005 CC1(CC(=C(C(=O)C1)C(=O)CCC(=O)OC)NCC2=NC3=CC=CC=C3N2)C 1 1.903 3 4 0 -17.8216893124437 1506004 CC(=O)C1=C(CC(CC1=O)(C)C)NCC2=NC3=CC=CC=C3N2 1 1.832 3 2 0 -9.09264685541714 1506003 CCC(=O)C1=C(CCCC1=O)NCC2=NC3=CC=CC=C3N2 1 2.04 3 2 -8.15139788562567 1506002 CC(=O)C1=C(CCCC1=O)NCC2=NC3=CC=CC=C3N2 1 1.374 3 2 0 -5.99703470566961 1505999 CC1(CC(=C(C(=O)C1)C(=O)CCC(=O)OC)NCCC2=NC3=CC=CC=C3N2)C 1 2.151 3 4 0 -18.2006013979759 1505987 CCOC1=C(C=C(C=C1)CC2=NOC3=C2C(=O)CCC3)OCC 1 3.322 1 4 -16.1814440317153 1505983 CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)NC(C)(C)C)C 1 2.588 2 4 -17.3585939587149 1505972 CC1=NC(=C(N1C)C(=O)OCC2=CC=CC=C2F)[N+](=O)[O-] 1 2.553 3 4 0 -3.20292757641023 1505969 C1COCCN1CC(=O)NC2=NN(N=C2C(=O)N)C3=CC=CC=C3 1 0.19 6 3 0 -8.70373675552979 1505957 C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3S2)C(=O)O 1 4.21 1 2 -6.38077486968959 1505949 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)N(C(=O)C1=O)C 1 1.278 3 4 0 -6.55385376254429 1505948 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N(C(=O)C1=O)C 1 -0.733 3 5 0 -16.4165792706509 1505945 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3=CC=C(C=C3)OCC(=O)N)C 1 1.928 2 5 0 -12.0942253472734 1505944 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCC3=CC=CC=C3)C 1 3.097 1 3 -13.4770365243765 1505942 CC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N=C2C 1 3.845 2 1 1.18023639185146 1505919 C1=CC=C(C(=C1)CSC2=CC=CC=N2)C(=O)O 1 2.973 1 2 -8.08356788646272 1505908 CC1=C(C=CC=C1F)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)C)C 1 2.155 3 4 0 -11.9160272593312 1505880 C1=CC=C(C=C1)CCNC(=O)C2=NNC3=CC=CC=C32 1 3.015 3 1 -14.6634358577276 1505879 C1COCCN1C(=O)C2=NNC3=CC=CC=C32 1 1.004 3 2 0 -13.8792680575763 1505877 C1CCN(CC1)C(=O)C2=NNC3=CC=CC=C32 1 2.233 3 1 -12.3109716078007 1505866 C1CC1C(=O)NC2=CC3=C(CCC(=O)N3)C=C2 1 1.153 2 2 0 -7.795632752549 1505864 CSC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CCC(=O)N3)C=C2 1 2.305 2 3 -3.82608260713623 1505863 C1CC(=O)NC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 1.968 2 3 0 -5.31932252214079 1505859 CC1=C(C(=O)N(N=C1NC(=O)OC)C2=CC=C(C=C2)OC)C#N 1 1.73 4 4 0 -6.21024634072948 1505854 CC1=C(C(=O)N(N=C1NC(=O)OC)C2=CC=C(C=C2)Cl)C#N 1 2.411 4 3 0 -4.14405428990796 1505853 CC1=CC=C(C=C1)N2C(=O)C(=C(C(=N2)NC(=O)OC)C)C#N 1 2.232 4 3 0 -6.15434957482858 1505782 C1CC1C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl 1 2.817 3 1 -2.58283923536258 1505773 CN1C(=CC(=O)N(C1=O)C)C(=O)NCCC2=CC=CC=C2 1 0.742 3 3 0 -15.4142358177771 1505771 CN1C(=CC(=O)N(C1=O)C)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 0.71 3 5 0 -19.0105018505106 1505767 CN1C(=CC(=O)N(C1=O)C)C(=O)NC2CC2 1 -0.673 3 3 0 -15.7318011306809 1505725 CCCN(CCC)C1=NC(=NC(=N1)C#N)N(CCC)CCC 1 3.542 6 0 -3.90416158192188 1505720 COC1=CC(=C(C=C1)NC(=O)C2=[N+](ON=C2N)[O-])OC 1 -2.083 4 5 0 -7.18648039248896 1505718 COC1=CC=C(C=C1)NC(=O)C2=[N+](ON=C2N)[O-] 1 -2.067 4 4 0 -3.12107809222948 1505716 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=CC=CC=N3 1 2.171 2 3 -15.3919980977944 1505714 CC1=CC(=O)N=C(N1)SCC(=O)N2CCN(C2)S(=O)(=O)C3=CC=CC=C3 1 0.8 4 4 0 -32.577534771322 1505706 CCN1C2=C(C(=NC(=N2)C3=CC=CC=C3)N(CC)CC)SC1=S 1 5.131 4 0 0.144377453610848 1505705 C1COCCN1C(=O)COC(=O)C2=CC=C(C=C2)Br 1 1.387 1 4 0 -11.063801739341 1505703 C1C2CC3CC1CC(C2)(C3)CC(=O)OCC(=O)N 1 1.465 1 3 0 -5.85718895231223 1505700 C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC=NN3 1 1.188 5 1 0 -12.2950482539283 1505698 CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCOCC3)F)C(=O)O 1 1.766 2 4 0 -5.07033084048382 1505666 CC1=CC=C(C=C1)NCC(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F 1 4.977 3 2 -0.251676477688775 1505629 C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC(=C(O3)Br)Br 1 3.18 2 4 -8.08375272760685 1505612 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CN=CC=C2)OC(=O)C3=CC=CO3 1 2.692 3 5 0 -13.772186041182 1505601 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)OC(=O)C3=CC=CO3 1 2.343 3 5 0 -11.6132335690648 1505485 C1=C(C(=CC(=C1F)F)Cl)C(=O)NC2=CN(N=C2)CCCC(=O)O 1 2.39 3 3 -11.4994087500321 1505484 C1=C(OC(=C1)Br)C(=O)NC2=CN(N=C2)CCCC(=O)O 1 1.278 3 4 0 -13.8695233594973 1505478 C1=COC(=C1)C(=O)NC2=CN(N=C2)CCCC(=O)O 1 0.71 3 4 0 -12.5563133750486 1505475 C1=CC(=C(C(=C1)F)C(=O)NC2=CN(N=C2)CCCC(=O)O)F 1 1.726 3 3 0 -15.0669938935528 1505474 C1=CC(=CC=C1C(=O)NC2=CN(N=C2)CCCC(=O)O)F 1 1.52 3 3 0 -12.7502887477702 1505473 C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CN(N=C3)CCCC(=O)O)Cl 1 3.133 3 3 -7.82245050987512 1505472 C1=CC(=CC=C1OCC(=O)NC2=CN(N=C2)CCCC(=O)O)F 1 1.356 3 4 0 -13.07132730734 1505471 C1=CC(=CC(=C1)F)C(=O)NC2=CN(N=C2)CCCC(=O)O 1 1.52 3 3 0 -12.6376326599461 1525707 C=CCN1C2=CC=CC=C2C(=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=CC=C5Cl)S3)C1=O 1 4.226 4 3 0 -14.8671732276635 1525302 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)O 1 2.82 3 4 0 -8.77064420579744 1525297 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3 1 3.197 3 2 -2.67580758063991 1505461 C1OC2=C(O1)C=C(C=C2)NC(=O)CCCN3C=C(C=N3)[N+](=O)[O-] 1 1.348 4 5 0 -16.2416545456686 1505433 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl 1 4.073 2 3 -14.2690455780148 1505390 CC(=O)NCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)Cl 1 3.368 3 1 -7.18796242915875 1505395 CC(=O)NCCC1=NC2=CC=CC=C2N1CCC3=CC=CC=C3 1 3.024 3 1 -9.62192774207367 1505342 C1CCN(C1)CC(=O)NC2=NN(N=C2C(=O)N)C3=CC=CC=C3 1 0.964 6 2 0 -5.95066203044962 1505336 CN1C2=C(N=C1SCC3=NNN=N3)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C 1 2.552 8 2 0 -12.4382282075055 1505333 CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NC3=C(SC=C3)C(=O)OC 1 2.436 5 3 0 -6.33885774785285 1505326 C1=CC=C(C=C1)N2N=C(C(=N2)N)C(=O)OCC3=CC=CC=C3F 1 3.272 4 2 -5.02476095140318 1505324 CC1=CC=CC=C1C2=NN(N=N2)CC(=O)NC3=C(SC=C3)C(=O)OC 1 2.436 5 3 0 -5.42898047355775 1505314 COC1=CC=C(C=C1)NC2=NC3=C(S2)C(=O)C=C(N3)O 1 2.376 3 3 -1.64840211432979 1505285 CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)C#N)N(CC)C3=CC=CC=C3 1 3.903 6 0 -3.02476315491274 1505274 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4N3 1 2.84 3 3 -11.9303163501418 1505270 COC1=CC2=C(C=C1)OC(=C2N)C(=O)CCC(=O)O 1 1.247 1 5 0 0.169679559778258 1505268 CCC(=O)N1CCC(CC1)(C(=O)N)N2CCCCC2 1 0.198 3 2 0 -10.0422164920538 1505264 CCOC(=O)CN1C(=NN=N1)C 1 -0.543 4 2 0 -15.662054562772 1505263 CC1(CC2=C(C=C(C(=O)N2C3=CC=C(C=C3)OC)C(=O)NCC4=CC=CO4)C(=O)C1)C 1 2.4 2 5 0 -23.3138161897526 1505243 COC1=CC(=CC(=C1OC)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 3.122 3 6 0 -25.3081289871796 1505241 C1CCN(C1)C(=O)/C(=C/C2=CC=C(C=C2)O)/C#N 1 1.769 2 2 0 -8.77362797314954 1505235 C1CCC(C1)(CC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)CC(=O)O 1 3.654 1 4 -8.55990154824901 1505225 COC1=CC(=CC(=C1OC)OC)C2=NN(N=N2)CC(=O)NCC3=CC=CC=C3 1 2.099 5 4 0 -14.2625769802188 1505221 CC1=CC=CC=C1COC(=O)C2=NN(N=C2N)C3=CC=CC=C3 1 3.552 4 2 -5.46617785896869 1505220 CC1=CC=CC=C1CN2N=C(N=N2)C3=CC=C(C=C3)C(=O)O 1 3.204 4 2 -1.30564376342645 1505210 C1=CC=C2C(=C1)N=C(O2)NC3=CC=CC=C3F 1 3.015 2 1 2.06817496781031 1505209 CC1=NC(=C(N1C)C(=O)OCC2=CC(=CC=C2)Br)[N+](=O)[O-] 1 3.096 3 4 0 -2.425474164712 1505203 C1CCN(CC1)C2=NC(=NC(=N2)COC3=C(C=C(C=C3)F)Cl)N 1 3.025 5 1 -0.705426123246719 1505193 C1=CC=C(C=C1)COC(=O)C2=NN(N=C2N)C3=CC=CC=C3 1 3.066 4 2 -5.40549574884938 1505166 COC1=CC=C(C=C1)OCC2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)Br 1 4.287 4 2 -4.82948438717375 1505151 CNC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O 1 -0.375 2 4 0 -5.81220977899757 1505119 CCOC(=O)N1CCN(CC1)C(=O)C2=[N+](ON=C2N)[O-] 1 -3.212 5 5 0 -4.66534692958371 1505118 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl 1 2.687 4 3 0 -16.880985905389 1505117 CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=CC=C3)F 1 2.853 2 2 -6.42721110500116 1505084 CC(C)(C#CC1=CC=C(S1)C(=O)NC2=CC3=C(C=C2)OCO3)O 1 3.196 1 4 -9.54075403123853 1505064 CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)N3CCOCC3)C 1 1.25 3 3 0 -8.59579788123579 1505054 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O 1 2.698 1 5 -13.8839217510492 1505053 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2=O 1 1.95 1 5 0 -14.6523185543021 1505052 C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C(=O)NCC4=CC=CC=N4 1 2.624 2 3 -12.3250110448708 1505019 CC1=CN=C(N1CCOC(=O)NC(=O)C2=C(C=CC=C2F)F)[N+](=O)[O-] 1 2.199 4 5 0 -11.3684306624345 1505018 CC1=CN=C(N1CCOC(=O)NC(=O)C2=CC=CC=C2OC)[N+](=O)[O-] 1 1.772 4 6 0 -13.2046478155796 1504975 C(C1=NN=C(S1)N)C(=O)N 1 -1 4 1 0 -4.0607663177649 1504955 C1=CC2=NC3=C(N2C=C1)C=CC(=C3)C#N 1 2.214 3 0 -3.30343681220713 1504910 C1=CC=C(C=C1)N2N=C(C(=N2)N)C(=O)OCC3=CC(=CC=C3)F 1 3.272 4 2 -2.85937697780236 1504909 C1CSCCN1C2=C(C=C3C(=C2Br)NC(=S)N3)F 1 4.085 3 0 -2.75584273516115 1504905 C1CCC2=C(C1)C=C3C(=C(SC3=N2)C4=NC(=NC(=N4)N)N5CCOCC5)N 1 2.066 7 1 0 -9.09744718712512 1504900 CCN(C(=O)CC1=NC(=NN1)N)C2(CCCCC2)C(=O)NC3=CC=CC=C3 1 2.132 6 2 0 -13.712478528279 1504878 COC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CC=NC=C3)OC 1 2.932 3 5 0 -14.3988228397774 1504866 CC1=NC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC 1 2.626 3 5 0 -14.1996133106135 1504839 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=CO3 1 3.349 3 3 -8.07847442864471 1504800 CC1=CC(=O)N=C(N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3 1 1.379 3 4 0 -24.1200208003843 1504796 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2C3=CC=CC=C3 1 1.594 3 3 0 -12.6314820485642 1504776 CC1=NC2=CC=CC=C2C(=C1)CNC(=O)CC3=CC=CC=C3F 1 3.33 2 1 -10.278533224589 1504761 CC1=CC(=O)N(C(=C1C#N)O)CC(C)C 1 1.798 2 2 0 -4.55748180272528 1504760 CC1=C(C(=O)N(C(=C1CN2CCCCC2)O)CC=C)C#N 1 2.174 3 2 -6.42912837110056 1504759 CCN1C(=CC(=C(C1=O)C#N)C)C 1 1.03 2 1 0 -4.93745198539648 1504749 CC1=CC=C(C=C1)COC(=O)C2=NN(N=C2N)C3=CC=CC=C3 1 3.552 4 2 -4.29764938202154 1504740 CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(C)C 1 1.177 3 4 0 -25.8652948687683 1504739 CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3)C(C)C 1 3.142 3 3 -17.9419943955402 1504738 CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)NC3CC3)C(C)C 1 1.773 3 3 0 -18.1011320615393 1504737 CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)C(C)C 1 2.867 3 3 -13.4675209815315 1504736 CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)NC(C)C)C(C)C 1 2.01 3 3 -20.570185765255 1504734 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N2C(=O)C(=C(N2C)C)C(C)C 1 2.187 3 3 -19.5811191115954 1504732 CC1=C(C=CC(=C1)N2CCCC2=O)S(=O)(=O)N3CCOCC3 1 0.702 2 4 0 -21.1552021831127 1504731 CC1=C(C=CC(=C1)N2CCCC2=O)S(=O)(=O)NC3CCCCC3 1 2.667 2 3 -16.6712932988622 1504724 COC1=C(C=C(C=C1)S(=O)(=O)NC2CCCCC2)N3C=NN=N3 1 1.469 5 3 0 -20.8810997366219 1504723 CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC(=C(C=C2)OC)N3C=NN=N3 1 2.16 5 3 0 -16.5633126628793 1504722 CC(C)NS(=O)(=O)C1=CC(=C(C=C1)OC)N2C=NN=N2 1 0.337 5 3 0 -23.8918566246536 1504721 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)N2C=NN=N2 1 0.515 5 3 0 -24.0247432008469 1504718 CCOC(=O)C1=NNC(=O)C2=CC=CC=C21 1 1.183 2 3 0 -11.6500192362189 1504703 CC1=NC=C(N1CC2=CC(=CC=C2)F)[N+](=O)[O-] 1 1.991 3 2 0 -5.90614284147764 1504697 CCOC(=O)CN1N=C(N=N1)C2=CC(=C(C(=C2)OC)OC)OC 1 1.512 4 5 0 -8.66289897228163 1504681 CC(=O)N(C)C1=CC(=CC2=C1C=CC3=C(O2)C(=CC=C3)OC)[N+](=O)[O-] 1 2.75 2 5 0 -3.77462280553871 1504674 CC1=CN=C(N1CCOC(=O)C2=CC(=CC=C2)F)[N+](=O)[O-] 1 2.214 3 4 0 -9.39871174649233 1504668 C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4 1 2.201 4 3 0 -18.0700270066734 1504661 CC1=CC=CC=C1NC(=O)C2=C(N=CN2)C(=O)NC3=CC=C(C=C3)OC 1 2.476 4 3 0 -10.6510817306313 1504631 CC1=NC2=CC=CC=C2C(=C1)CNC(=O)C3=C(N=CC=C3)Cl 1 2.813 3 1 -3.73372232512332 1504625 CCOC1=CC=CC=C1NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-] 1 1.912 4 4 0 -17.610050476842 1504617 CC1=NC2=CC=CC=C2C(=C1)CNC(=O)COC3=C(C=C(C=C3)F)F 1 3.336 2 2 -6.72253423690473 1504615 CC1=NC2=CC=CC=C2C(=C1)CNC(=O)CN3C=C(C=N3)[N+](=O)[O-] 1 1.486 5 3 0 -14.4694337803522 1504530 CC1=NC2=CC=CC=C2C(=C1)CNC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 1.914 5 3 0 -13.5144045800081 1504527 CC1=NC2=CC=CC=C2C(=C1)CNC(=O)C3=CC(=C(C=C3)OC)OC 1 3.057 2 3 -10.4138297137479 1504526 CC1=NC2=CC=CC=C2C(=C1)CNC(=O)C3=CC(=CC(=C3)OC)OC 1 3.057 2 3 -8.22581981725699 1504524 CC1=NC2=CC=CC=C2C(=C1)CNC(=O)COC3=CC=CC=C3 1 2.925 2 2 -7.33937206616057 1504523 CC1=NC2=CC=CC=C2C(=C1)CNC(=O)CC3=CC=CC=C3 1 3.125 2 1 -7.9758398269415 1504505 COC1=C(C=C(C=C1)C(=O)C2=CN=CN2)OC 1 1.379 2 3 0 -1.8257626180453 1504464 CC1=CC(=NC2=C1C=CC3=C2N(C(=C3C)C)C)C 1 3.916 2 0 5.47019813865102 1504449 CCOC1=C(C=C(C=C1)CC2=C3C(=NO2)CC(CC3=O)(C)C)OCC 1 3.78 1 4 -16.5192318668612 1504447 CCOC1=C(C=C(C=C1)CC(=O)C2=C(CC(CC2=O)(C)C)N3CCOCC3)OCC 1 3.127 1 5 -17.3009556266522 1504392 CC1=C(C2=NSN=C2C=C1)S(=O)(=O)NCCC3=C(NC4=C3C=C(C=C4)F)C 1 3.904 4 2 6.47072495601974e-002 1504385 CCOC1=C(C=C(C=C1)CC2=NOC3=C2C(=O)CC(C3)(C)C)OCC 1 3.78 1 4 -18.2678382036939 1504378 CC1=C(C=C(C=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)N4C=CC=C4)C 1 4.829 3 2 4.22667206139354 1504356 C1CCCC(CC1)NC(=O)CN2C=C(C=N2)[N+](=O)[O-] 1 1.748 4 3 0 -13.1840587800119 1504355 CC1=CC(=NC=C1)NC(=O)CN2C=C(C=N2)[N+](=O)[O-] 1 0.885 5 3 0 -8.86185658690121 1504333 CC1=NC2=CC=CC=C2C(=C1)CNC(=O)C3=CC4=C(C=C3)OCO4 1 2.858 2 3 -7.74009802270636 1504305 CC1=CC(=NN1C(=O)CCCN2C=C(C=N2)[N+](=O)[O-])C 1 1.321 5 3 0 -15.2994872932583 1504304 C1CCCC(CC1)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-] 1 2.318 4 3 0 -16.6768532264944 1504302 C1=CSC(=C1)C2=NOC(=N2)COC3=CC=C(C=C3)F 1 3.139 2 2 -0.970828765070266 1504301 COC1=C(C=C(C=C1)CNC(=O)CCN2C(=O)C3=C(C2=O)C=NC=C3)OC 1 0.57 3 5 0 -20.837524561226 1504245 CC1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)NS(=O)(=O)C 1 1.914 3 2 0 -0.679857157277565 1504227 COC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)N3C=NN=N3 1 0.101 5 3 0 -21.040237402621 1504226 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)N3C=NN=N3 1 0.734 5 3 0 -25.7848545569393 1504184 CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)NC(C)C 1 3.124 4 2 -21.473341725258 1504182 CC(C)(C)C(=O)N1CCN(CC1)C2=NC3=CC=CC=C3O2 1 2.202 3 2 -10.3677944684247 1504067 C1=CC(=CC=C1C(=O)N)N2C(=NN=N2)OC3=CC=C(C=C3)Br 1 2.569 5 2 0 -9.32602210956423 1504048 CC(=O)OC1=CC2=C(C=C1)OC(=O)C3=C2CCCN3C(=O)CN4CCOCC4 1 0.882 2 6 0 -16.1536260903894 1504046 CC1CCN(CC1)CC(=O)N2CCCC3=C2C(=O)OC4=C3C=C(C=C4)OCC5=CC=CC=C5 1 4.163 2 4 -14.8766054023943 1504043 CC1(CC(=C(C(=O)C1)C(=O)C2=CC=CC=C2)NC3=CC(=CC=C3)OC)C 1 4.051 1 3 -8.75816906986148 1504034 C1=CC=C2C(=C1)C=CC=C2N3C(=NNC3=S)C4=NNC(=C4)C5=CC=CO5 1 4.664 5 1 2.76504320047545 1504007 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CCOC1=C(C=CC(=C1)C2=NC(=C(N2O)C(=O)C)C)OCC(=O)NC3=CC=C(C=C3)F 1 0.988 3 5 0 -8.22930453467034 1502104 C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2 1 2.661 3 4 0 -13.5710183146437 1500648 CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)C(=O)OCC 1 1.657 7 3 0 -3.52997535211243 1500645 C1CC2=CC=CC=C2N(C1)C3=NC(=NC(=N3)CN4CCN(CC4)C5=CC(=CC=C5)Cl)N 1 4.146 7 0 0 4.1938226644611 1500644 C1CC2=CC=CC=C2N(C1)C3=NC(=NC(=N3)CN4CCN(CC4)C5=CC=CC=C5F)N 1 3.687 7 0 0 -8.69354673079834e-002 1500638 COC1=CC=CC(=C1)N2CCN(CC2)CC3=NC(=NC(=N3)N)N4CCCC5=CC=CC=C54 1 3.465 7 1 0 0.521011032758434 1500306 CC1=CC=C(C=C1)COC(=O)NCC2=CN=CC=C2 1 2.519 2 2 -6.95826037624383 1500282 COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 4.573 3 2 -9.52825426609484 1500051 CC1=NN=C(S1)NC(=O)C2=CC=CC=C2OC 1 1.333 3 2 0 -12.9488715640242 1500010 C1CCN(CC1)C2=NN=C(S2)N 1 0.558 4 0 0 9.3101247191108e-003 1499172 CCOC(=O)C1=C(SN=N1)NC(=O)NC2=CC=C(C=C2)OC 1 1.808 4 4 0 -11.4937421030085 1499129 CCOC(=O)C1=C(SN=N1)NC2=CC(=C(C=C2)C)C 1 3.654 3 2 -8.36181542665743 1499099 C1=CC=C(C=C1)NC(=O)NC2=C(N=NS2)C(=O)NC3=CC(=CC=C3)O 1 2.163 5 3 0 -7.66539236992285 1498490 COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3)OCC(=O)O 1 4.079 1 5 -14.7180646045322 1498318 C1=CC=C(C=C1)C2=NN(C(=C2)C(F)(F)F)C3=NC(=CS3)C(=O)O 1 4.292 3 2 -1.55860566787994 1498250 CC1=CC(=NN1C2=NC(=CS2)C(=O)O)C 1 1.54 3 2 0 -6.55556026605636 1498249 CC1=CC(=NN1C2=NC(=CS2)C3=CC=C(C=C3)Cl)C 1 4.093 3 0 3.24060125950897 1498191 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N=C(S2)N3CCCCC3 1 3.276 2 4 -9.19344829843822 1498144 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC=CC=C4)C 1 2.68 4 1 -11.0767686990863 1497846 CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=CC=C2)C(=O)OC 1 2.72 3 3 -13.7211907147183 1497736 CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NC3=NC=CS3)N 1 1.153 4 2 0 -8.42014793240353 1497603 C=CCN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)N=C(S3)N4CCOCC4 1 3.212 3 2 -8.90738582693458 1497145 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC3=CC=C(C=C3)OC 1 2.182 3 3 -18.142479661408 1497107 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3Br 1 3.329 4 2 -17.8628511503878 1497062 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)NN 1 1.508 5 1 0 -6.09891729416957 1496836 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4CCN(CC4)C5=CC=CC=N5 1 4.469 5 1 6.24422812355215 1496659 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=C(C=NN2)Br 1 2.134 4 3 0 -5.71535618568035 1495114 CN1C(=O)CSC1=NC2=CC=C(C=C2)F 1 2.293 2 1 -3.11802314199255 1495044 CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CO4)OC 1 3.859 2 5 0 -4.52118343339606 1494727 C1CN(CCN1CC2=NC(=NC(=N2)NC3=CC(=CC=C3)Cl)N)C(=O)C4=CC=CO4 1 2.056 7 2 0 -0.106919867563951 1494474 CC1=CC(=CC(=C1NC(=O)C2=CC=CC=C2OC)C)Br 1 4.319 1 2 -4.73485599077221 1494341 C1=CC=C2C(=C1)C=CC=C2COC3=CC=CC(=C3)C=O 1 4.064 0 2 -1.22108618538794 1494312 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl 1 4.603 3 2 6.9839307780186 1494295 CC(C)(C(=O)NN(C1=CC(=CC=C1)Br)C(=O)C2=CC=CC=C2)O 1 2.862 2 3 -10.9782632813113 1494229 CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)NC(=S)NC4=O)C 1 4.304 3 4 0 -14.8504175438574 1494052 CCSC1=NN=C2N1NC3=C4C=CC=C(C4=NC3=N2)C 1 3.743 6 0 -5.77545840365167 1493979 CN(C)C1=CC=C(C=C1)C(=O)NC2(CCCC2)N3CCC3=O 1 1.566 3 2 0 -12.27213151534 1494031 C1=CC=C(C(=C1)NC(=O)NC(=O)C2=C(C=CC=C2F)F)SC(F)F 1 4.169 2 2 -8.05837869646937 1493952 CC1=CC=C(C=C1)NC(=O)C2(CCCCC2)N3CCC3=O 1 2.564 2 2 -10.0205619522464 1493913 CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=C(C=C3)Br)[O-] 1 2.727 2 3 -5.48134981190345 1493877 C1COCCN1CC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)Cl 1 3.508 2 2 -2.36053285260934 1493752 COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)OC 1 2.596 4 4 0 -20.2826917193961 1493694 CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 3.823 4 2 -17.0764336654073 1493677 CC1=NSC(=C1C#N)NC2=CC=CC=C2 1 2.678 3 0 -3.57752497391883 1493476 CCOC(=O)CN1C=C(C2=CC=CC=C21)C=C3C(=O)N(C(=O)N(C3=O)C)C 1 1.831 3 5 0 -10.6943679182479 1493378 CC1=CC(=CC(=C1)NC2=NC3=C(N2)C(=O)N(C(=O)N3C)C)C 1 2.121 5 2 0 -8.75071397771553 1493323 CC(C)N1C2=C(N=C1OC3=CC=CC(=C3)C(=O)OC)N(C(=O)N(C2=O)C)C 1 2.583 4 5 0 -14.6026504001956 1493306 COC1=CC(=C(C=C1)NC(=S)NCCC2=CNC3=CC=CC=C32)OC 1 4.677 3 2 -14.4689488397485 1492723 CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCC(CC3)(C(=O)N)N4CCCCC4 1 1.724 3 3 0 -4.88332172316793 1492714 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCCCC2)O 1 2.209 2 3 -9.3939691138021 1492706 C1CCN(CC1)C(=O)/C(=C/C2=CC(=CC=C2)O)/C#N 1 2.226 2 2 -8.77446968077997 1492704 C1CCN(CC1)C(=O)/C(=C/C2=CC(=C(C=C2)O)Br)/C#N 1 2.974 2 2 -8.42927609563237 1492683 C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)SCC(=O)NN 1 2.003 3 2 -6.78304788285457 1492665 CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4)C 1 3.918 3 3 2.64712479042603 1492413 C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)S3 1 4.836 2 4 -5.37730125074991 1492410 CCC(=O)NC1=NON=C1C2=NC3=CC=CC=C3N2CCC(C)C 1 3.616 5 2 0 -7.34070507373154 1492379 C1=CC=C2C(=C1)N=C(N2CCOC3=CC=C(C=C3)Cl)NC(=O)C4=CC=CO4 1 4.569 3 3 -4.3882149475776 1491790 C1=CC(=CC(=C1)N)C2=CSC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F 1 3.117 4 2 2.14354238059764 1491763 C1=CC(=NC(=C1)F)NNC(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.894 4 1 2.09717544037619 1491758 C1CC1NC(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.447 2 1 -2.48506439717661 1491682 CN1CCN(CC1)C2=CC3=C(C=C2)NC(=NC3=O)C4=CC=C(C=C4)OC 1 2.596 4 2 0.48686195357009 1491653 C1=CC(=CC=C1C2=C3C=C(C=CC3=NO2)C=O)F 1 3.395 1 2 1.16254983976302 1491643 C1COC(O1)C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)F 1 3.327 1 3 3.21293249477167 1491642 CC1=NC2=C(C=C(C=C2)N3CCN(CC3)C)N=C1C 1 1.978 4 0 0 4.50018753726263 1491639 CN1CCN(CC1)C2=CC3=NC=CN=C3C=C2 1 1.413 4 0 0 6.33905224934739 1491637 CCC1=NC2=C(C=C(C=C2)N3CCN(CC3)C)N=C1CC 1 3.312 4 0 2.72319583879014 1491614 CN(C)/C=C/C(=O)C1=CC2=C(ON=C2C=C1)C3=CC(=CC=C3)F 1 3.53 2 2 5.93371427807273 1491613 CCN1C(=C(C(=NC1=S)N2CCN(CC2)C(=O)C3=CC=CO3)C(=O)C)C 1 1.913 4 3 0 -7.66631475274322 1491596 C1=CC=C(C=C1)S(=O)(=O)C2=C(NN=C2)N 1 0.754 3 2 0 -8.73334814400757 1491570 C1=CC=C(C=C1)CC2=NC(=CS2)C(=O)O 1 2.303 1 2 -5.27503318661164 1491567 COC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)CC3=CC=CC=C3 1 3.442 2 2 -7.24845332901767 1491565 COC1=CN=C(NC1=O)C2=CC(=CC=C2)C(F)(F)F 1 1.547 2 2 0 2.47153165987065 1491553 C1CN(CCC1C(=O)NNS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.828 3 5 0 -15.5711266547357 1491550 C1CN(CCC1C(=O)NNC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.789 3 4 0 -16.0555692562506 1491547 CC1=CC=C(C=C1)C(=O)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.611 3 4 0 -15.229250314033 1491532 COC1=CC=CC=C1SC2=NC(=NC=C2OC)C3=CC=CC=C3 1 4.295 2 2 2.04055455747543 1491530 COC1=CC=C(C=C1)SC2=NC(=NC=C2OC)C3=CC=CC=C3 1 4.295 2 2 5.20788841483856 1491526 COC1=CN=C(N=C1SC2=CC=CC=C2)C3=CC=CC=C3 1 4.312 2 1 4.2358850877089 1491513 CCOC(=O)N1CCC(CC1)NC2=CC=C(C=C2)OC 1 1.984 2 3 0 -5.40691500954599 1491502 CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=CC=C2 1 2.583 2 2 -7.61850647941828 1491500 CC1=C(SC(=N1)C)C(=NOC(=O)C2=CC(=CC=C2)Cl)C 1 3.079 2 2 -0.900232041500598 1491496 CC1=CC=C(C=C1)C(=O)ON=C(C)C2=C(N=C(S2)C)C 1 2.901 2 2 -2.77281720963032 1491492 CC1=C(SC(=N1)C)C(=NOC(=O)C2=CC(=C(C=C2)Cl)Cl)C 1 3.743 2 2 -2.09788107705033 1491491 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F 1 4.339 2 4 -10.1722128223877 1491483 C1=CC2=C(N=C1)N(C=C2)S(=O)(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.858 2 2 -2.19467467320855 1491467 C1=CC=C(C=C1)OC2=CC=C(C=C2)C=NNC(=O)C3=CSN=N3 1 3.216 4 2 -10.881856038813 1491465 CC1=C(SN=N1)C(=O)NNC(=O)NC2=CC=CC=C2 1 0.898 5 2 0 -12.1140585751002 1491461 CC1=C(SN=N1)C(=O)NNS(=O)(=O)C2=CC=CC=C2 1 0.693 4 3 0 -15.9492751481958 1491459 CC1=CC=CC(=C1)C=NNC(=O)C2=CSN=N2 1 2.143 4 1 -11.098180826711 1491456 CC1=CC=CC=C1C=NNC(=O)C2=CSN=N2 1 2.143 4 1 -11.435153670361 1491454 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CSN=N2 1 1.819 5 1 0 -15.2814057100063 1491452 CC1=CC=C(C=C1)C=NNC(=O)C2=CSN=N2 1 2.143 4 1 -12.6201193313937 1491449 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(N=NS2)C 1 1.179 4 3 0 -15.2415621032935 1491446 C1=CC(=CC=C1C=NNC(=O)C2=CSN=N2)F 1 1.862 4 1 0 -11.9082423059284 1491445 C1=CC(=CC=C1S(=O)(=O)NNC(=O)C2=CSN=N2)Br 1 1.296 4 3 0 -14.6440765098142 1491435 COC(=O)CC1=C(N(C=CC1=O)CCC2=CC=CC=C2)O 1 2.079 1 4 -5.81183222400322 1491429 CC1=C(CC(=O)N1CC2=CC3=C(C=C2)OCO3)C(=O)OC 1 1.13 1 5 0 -9.32874515722064 1491428 CC1=C(CC(=O)N1CCC2=CNC3=CC=CC=C32)C(=O)OC 1 1.976 2 3 0 -10.7776633341066 1491424 COC1=C(C=C(C=C1)CN2C=CC(=O)C(=C2O)CC(=O)OC)OC 1 1.725 1 6 0 -10.5230566877582 1491423 CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)NC3=CN=CC=C3 1 1.233 5 1 0 -5.47472329579983 1491422 C1=CC(=CC=C1NCC2=CC(=CC(=C2O)Br)Br)F 1 4.682 1 1 7.04294957036968 1491384 CC1=C(C(=NN1C2=CC(=C(C=C2)Cl)Cl)C)C(=O)O 1 3.443 2 2 -0.634343044667824 1491376 CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)OC 1 3.129 3 4 0 0.210269941845364 1491301 C1=CSC(=C1)C(=O)NC2=NC=C(C=C2)C#N 1 1.835 3 1 0 -8.29135000143515 1491276 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=N2)[N+](=O)[O-] 1 2.701 2 4 -9.45037604490757 1491257 CN1C=C2C=C(C=CC2=N1)NC(=S)N 1 2.067 4 0 -0.199970853806219 1491250 C1=C(C=NC(=C1Br)N)C#N 1 1.099 3 0 0 -1.76629411539506 1491246 CC1=CC=C(N1C2=C(SC=C2)C(=O)CC#N)C 1 2.75 2 1 -10.7542882746906 1491240 C1COCCN1C(=O)/C=C/C2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl 1 3.631 1 3 -4.29198547242373 1491223 C1=CN(C=C1)C2=C(SC=C2)C(=O)CC#N 1 2.459 2 1 -8.61803257308548 1491222 CCOC(=O)C1=C2C=CC=CN2C=C1C3=CC=CC=C3Cl 1 3.912 1 2 -3.08190371460125 1491214 COC(=O)/C=C/C1=CC2=CC=CC=C2N=C1 1 2.339 1 2 -0.577238814593725 1491192 CC1=C(N(N=C1C)C(=O)/C(=C/N(C)C)/C#N)C 1 1.172 4 1 0 -6.0003170041767 1491186 CCOC(=O)C1=C2C=CC=CN2C=C1C3=CC=C(C=C3)F 1 3.453 1 2 -1.47877693288205 1491185 C1COCCN1C(=O)/C=C/C2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)F 1 3.836 1 3 -8.2419206918203 1491178 C1=COC(=C1)C(=O)OC2=CC=C(C=C2)C3=NC=CC(=N3)C=O 1 2.686 2 4 -2.8525774882349 1491177 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C4=CC=CC=N4 1 0.796 7 2 0 -8.66723750253179 1491176 CC1=CC(=NN1C(=O)C(=NNC2=CC(=CC(=C2)Cl)Cl)C#N)C 1 3.781 5 1 -3.36047896471814 1491169 C1CCC(C1)NC(=O)C2=CC(=CN2)C(=O)CC3=CC=CC=C3 1 3.264 2 2 -5.07427428134716 1491167 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C4=CC(=CC=C4)O 1 1.165 6 3 0 -4.25935284253688 1491164 COC(C1=NC(=NC=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)OC 1 3.41 2 4 -6.35619976818575 1491156 CCCC(=O)OC1=CC=C(C=C1)C2=NC=CC(=N2)C(OC)OC 1 2.868 2 4 -9.1479781258918 1491151 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC(=CN3)C(=O)C4=C(C(=CC=C4)Cl)Cl 1 5.196 3 2 1.51564209803832 1491145 CC(=O)OC1=CC=C(C=C1)C2=NC=CC(=N2)C(OC)OC 1 1.745 2 4 0 -2.52472399854676 1491142 COC(C1=NC(=NC=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC 1 3.615 2 4 -4.84867517521115 1491140 COC(C1=NC(=NC=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CS3)OC 1 3.363 2 4 -6.83726494398028 1491132 C1=CC2=C(C(=CN2C=C1)C3=CC=C(C=C3)Cl)C(=O)O 1 3.338 1 2 1.92057534020337 1491130 C1=CSC(=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OCC(=O)O 1 3.036 2 3 -3.48173671603403 1491128 CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C 1 3.397 7 2 0 1.24986111546305 1491125 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.91 7 2 0 0.61145922265094 1491097 CC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)C 1 1.348 0 4 0 -0.553143909543184 1491096 C1=CC(=C(C=C1F)CNC2=NC=NC3=C2C=CC(=C3)Cl)F 1 3.922 3 0 5.09904652296423 1491089 CC1=CC(=CC(=C1)CON2C=CN=C2)C 1 0.354 2 1 0 0.316993569403079 1491084 CC(C)(C)C1=CC=C(C=C1)CON2C=CN=C2 1 0.782 2 1 0 3.86236983141546 1491082 C1=CC=C(C=C1)CCON2C=CN=C2 1 -0.297 2 1 0 0.455074002596776 1491075 C1CCCC(CC1)N2C=CC(=O)C(=C2O)CC3=C(C=CC=C3Cl)F 1 5.443 1 2 -4.22334127773283 1491068 C1CCC(=O)N(CC1)CC2=CC=CC=C2 1 2.331 1 1 -9.61465257931454 1491058 C1=CC(=CC=C1CON2C=CN=C2)Br 1 0.13 2 1 0 1.64957462778954 1491055 C1OC2=C(O1)C=C(C=C2)CN3C=CC(=O)C(=C3O)CC4=C(C=CC=C4Cl)F 1 4.48 1 4 -4.20373628733763 1491051 C1=CC(=C(C(=C1)Cl)CC2=C(N(C=CC2=O)CCCN3C=CN=C3)O)F 1 2.933 3 2 -1.08711916696485 1491049 C1=CC=C2C(=C1)C(=CN2)CCN3C=CC(=O)C(=C3O)CC4=C(C=CC=C4Cl)F 1 5.327 2 2 -4.16224066951185 1491039 CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)CCO)C(=O)C 1 2.378 4 2 -1.78521684001724 1491027 CC1=CC=C(C=C1)SC2=C(C=C(C=C2)CN3CCCC3)[N+](=O)[O-] 1 4.863 2 2 5.98396223163951 1491025 CC1=CC=C(C=C1)SC2=C(C=C(C=C2)CN3CCCCC3)[N+](=O)[O-] 1 5.319 2 2 5.62949371747143 1491023 CN1CCN(CC1)CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 4.538 3 2 9.44586749842307 1491020 C1CCN(C1)CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 5.041 2 2 7.80596092222633 1491012 COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2N 1 2.07 2 3 -13.6297546658089 1491001 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3 1 1.759 2 4 0 -18.8393653489857 1490998 COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3 1 1.631 2 5 0 -21.5905869278522 1490997 CC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C)Cl 1 3.72 3 2 8.5783209823247e-002 1490996 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3 1 1.743 2 5 0 -17.5233244194613 1490992 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3 1 2.262 2 3 -18.4263991398416 1490982 CC1=C(C=C(C=C1)NC2=NC(=O)C3=CC=CC=C3N2)C 1 3.374 3 1 -2.99629859351885 1490979 C1=CC=C2C(=C1)NC(=CS2(=O)=O)SCC3=CC=C(C=C3)F 1 3.398 1 2 -6.62615990294858 1490971 COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)OC)Cl 1 3.956 3 4 0 -16.5682042201936 1490970 CC1=CC=C(C=C1)CSC2=CS(=O)(=O)C3=CC=CC=C3N2 1 3.678 1 2 -7.33803692841383 1490969 C1=CC=C2C(=C1)NC(=CS2(=O)=O)SCC3=CC(=C(C=C3)Cl)Cl 1 4.521 1 2 -6.01671157116031 1490968 COC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3)OC 1 5.024 3 2 -6.55395824823069 1490966 C1=CC=C2C(=C1)NC(=CS2(=O)=O)SCC3=CC(=CC=C3)Cl 1 3.856 1 2 -5.67620953706504 1490964 CC1=CC(=CC=C1)CSC2=CS(=O)(=O)C3=CC=CC=C3N2 1 3.678 1 2 -6.84365247334266 1490963 COC1=CC=C(C=C1)CSC2=CS(=O)(=O)C3=CC=CC=C3N2 1 3.176 1 3 -7.75100313755797 1490960 CC(C)NC1=NC(=O)C2=CC=CC=C2N1 1 1.551 3 1 0 -8.05650778103274 1490952 CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3)C 1 5.038 4 0 -7.85022093419454 1490936 C1=CC=C(C=C1)CSC2=CS(=O)(=O)C3=CC=CC=C3N2 1 3.192 1 2 -8.32126483020583 1490926 C1C(=O)NC2=CC=CC=C2S1(=O)=O 1 0.162 1 3 0 -6.43167163656753 1490925 CC1=C(C=CC(=C1)Cl)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3 1 4.475 3 2 -10.6026894388031 1490911 C1CCN(CC1)C2=NC=C(S2)C=NNC(=O)C3=CC=C(C=C3)C(F)(F)F 1 3.373 4 1 0.393672638805188 1490906 CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.607 2 2 2.45993399670551 1490896 CC1=CC=CC=C1NNC(=S)N 1 2.239 3 0 -2.81094015544983 1490886 CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN=CO3 1 3.182 2 2 2.30720845156624 1490885 C1CN(CCN1C2=CC=CC=C2)C3=NC=C(S3)C=C(C#N)C#N 1 2.476 5 0 3.21700631406418 1490878 C1=CC(=CC=C1/C=C/2\C(=O)NC(=O)S2)OCC3=CN=C(S3)Cl 1 2.919 2 3 3.83292354145097 1490875 C1=CC(=CC=C1C=NNC(=O)C2=CC=NC=C2)OCC3=CN=C(S3)Cl 1 2.509 4 2 -5.75714590330501 1490863 C1=CC=C(C(=C1)/C=C\2/C(=O)NC(=O)S2)OC3=CC=C(C=C3)Cl 1 4.166 1 3 8.88589475899147 1490851 CC1(CC(=CC(=O)C1)NCCN2CCN(CC2)C(=S)NC3CCCCC3)C 1 3.677 4 1 -24.0478430847163 1490848 CCOC1=C(C=C(C=C1)Br)C=NNC(=O)C2=CC=NC=C2 1 2.613 3 2 -3.37240503036773 1490843 COC1=C(C=C2C(=C1)C(=NC=N2)NCC3=C(C=CC(=C3)F)F)OC 1 3.225 3 2 -0.44211346294874 1490816 C1=CC(=CC=C1NC2=CC(=NC=C2)C(F)(F)F)F 1 3.805 2 0 3.00165066188246 1490776 C1CSCCN1C2=NC(=CS2)C3=CC=CC=C3 1 2.748 2 0 2.6200578220004 1490762 COC1=CC=C(C=C1)C2=CSC(=N2)N3CCSCC3 1 2.732 2 1 2.68160802917147 1490756 C1CSCCN1C2=NC(=CS2)C3=CC=C(C=C3)F 1 2.954 2 0 3.80645126378086 1490753 CC(C)(C)C1=CSC(=N1)N2CCOCC2 1 1.886 2 1 0 -2.3478620849166 1490732 C1COCCN1C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 2.668 2 1 3.89374545388057 1490725 COC(=O)C1=NN(C(=C1C=NOC(=O)C2=CC(=CC=C2)Cl)Cl)C3=CC=CC=C3 1 4.778 3 4 0 0.51550371371869 1490721 COC(=O)C1=NN(C(=C1C=NOC(=O)C2=CC(=C(C=C2)Cl)Cl)Cl)C3=CC=CC=C3 1 5.442 3 4 0 -0.58475109530626 1490716 CN1C=C(C(=N1)C(F)(F)F)C2=NN=NN2C3=CC=CC(=C3)C(F)(F)F 1 3.605 6 0 0.587955279008717 1490715 CN1C=C(C(=N1)C(F)(F)F)C2=NN=NN2C3=CC=C(C=C3)Cl 1 3.327 6 0 -0.479893726150176 1490710 CC1=CC(=CC(=C1)N2C(=NN=N2)C3=CN(N=C3C(F)(F)F)C)C 1 3.635 6 0 -1.44112411011477 1490704 CN1C=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)Cl 1 3.299 3 1 1.36575914765998 1490662 CN(C1=CC=CC=C1)C(=O)CC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.45 2 2 -3.862893669813 1490637 CC(=O)NC1=NC=C(C=C1)SC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OC 1 3.225 3 3 -7.54314104600457 1490633 CC(=O)NC1=NC=C(C=C1)SC2=CC=CC=C2C(=O)O 1 2.087 2 3 -5.25242062002724 1490625 CCOC(=O)CC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 4.251 2 4 -5.318000766482 1490606 CC1=CC(=O)C(=CN1NC2=CC=C(C=C2)F)C(=O)O 1 1.391 2 3 0 -3.7641566522839 1490583 C1=CC(=CC=C1C2=NC=CC(=N2)C3=CC=C(C=C3)F)OCC(=O)NN 1 2.169 4 2 0.398069273202672 1490582 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC=N4)F 1 4.467 4 2 -3.79443643275922 1490557 COC(=O)C1CCN(CC1)CC(=O)N 1 -0.499 2 3 0 -4.98704581673328 1490555 CC1=CC=C(O1)CNC2=NC=NC3=C2C=CC(=C3)Cl 1 2.838 3 1 5.71061897470209 1490550 C1=COC(=C1)CNC2=NC=NC3=C2C=CC(=C3)Cl 1 2.693 3 1 3.85818888329347 1490546 C1=CSC(=C1)CNC2=NC=NC3=C2C=CC(=C3)Cl 1 3.251 3 0 2.32497297448352 1490545 C1=CC=NC(=C1)CNC2=NC=NC3=C2C=CC(=C3)Cl 1 2.575 4 0 4.42679553435587 1490541 CC1=CC=CC=C1CNC2=NC=NC3=C2C=CC(=C3)Cl 1 3.997 3 0 4.58891440278919 1490540 COC1=CC=CC=C1CNC2=NC=NC3=C2C=CC(=C3)Cl 1 3.495 3 1 3.21346709316807 1490539 C1=CC(=CC=C1CNC2=NC=NC3=C2C=CC(=C3)Cl)F 1 3.716 3 0 5.84146590994658 1490530 C1=CC(=C(C(=C1)F)F)CNC2=NC=NC3=C2C=CC(=C3)Cl 1 3.922 3 0 5.25550519590536 1490529 COC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=CC(=C3)Cl)OC 1 3.478 3 2 0.274870340342967 1490527 COC1=CC=C(C=C1)CNC2=NC=NC3=C2C=CC(=C3)Cl 1 3.495 3 1 4.71662267533719 1490526 CC1=CC=C(C=C1)CNC2=NC=NC3=C2C=CC(=C3)Cl 1 3.997 3 0 5.12958888448132 1490507 C1CC1N2C=CC(=O)C(=C2O)CC3=C(C=CC=C3Cl)F 1 3.619 1 2 -3.92231395029117 1490487 C1=CC=NC(=C1)CCN2C=CC(=O)C(=C2O)CC3=C(C=CC=C3Cl)F 1 4.025 2 2 -6.53267635280886 1490482 C1=CC=C(C=C1)C(=O)CN2C(=NC(=N2)Br)Br 1 3.001 3 1 -4.20323800521582 1490464 C1COCCN1CCCN2C=CC(=O)C(=C2O)CC3=C(C=CC=C3Cl)F 1 3.018 2 3 -7.03655975908278 1490462 C#CCN1C=CC(=O)C(=C1O)CC2=C(C=CC=C2Cl)F 1 4.321 1 2 -6.63958841279238 1490450 CCN1C(=O)CSC2=C1C=C(C=C2)C(=O)OC 1 1.588 1 3 0 -9.97208438185322 1490444 CNC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2 1 3.402 1 1 -6.05434150687656 1490432 CON=C(CN1C(=O)C(=C(C=N1)N2CCCC2)Br)C3=CC=C(C=C3)Cl 1 2.612 4 2 -2.63968737307384 1490427 CCN(CC)C1=C(C(=O)N(N=C1)CC(=NOC)C2=CC=C(C=C2)Cl)Br 1 2.849 4 2 -1.18739314743757 1490424 CN1C2=CC=CC=C2C3=C1SC(=C3)C(=O)NNS(=O)(=O)C4=CC=C(C=C4)F 1 3.31 3 3 -8.39678892924158 1490420 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC3=C(S2)N(C4=CC=CC=C43)C 1 2.225 4 4 0 -12.9394167420675 1490418 CN1C2=CC=CC=C2C3=C1SC(=C3)C(=O)NNS(=O)(=O)C4=CC=C(C=C4)OC 1 3.088 3 4 0 -9.52163216385097 1490405 CC(C)(C)C(=O)CN1C(=O)C(=C(C=N1)NC2CC2)Br 1 1.206 3 2 0 -8.10927271899609 1490286 COC1=C(C=C2C(=C1)C(=NC=N2)NCC3=CC=CC=C3Cl)OC 1 3.478 3 2 -1.16410828301832 1490274 CC1=CC=C(O1)CNC2=NC=NC3=CC(=C(C=C32)OC)OC 1 2.141 3 3 0.169458988789116 1490272 COC1=C(C=C2C(=C1)C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)OC 1 2.582 3 4 0 -2.2466629428784 1490269 C1=CC=C(C=C1)S(=O)(=O)CC2=CN=C(S2)Cl 1 2.349 1 2 -5.45113593735346 1490267 COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(SC=C3)C(=O)OC)OC 1 2.616 3 4 0 -2.25733329843994 1490263 COC1=C(C=C2C(=C1)C(=NC=N2)NCC3=CC=CS3)OC 1 2.554 3 2 -3.21618701142945 1490262 CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NN 1 2.393 2 2 -3.63690827011977 1490260 COC1=C(C=C(C=C1)CCNC2=NC=NC3=CC(=C(C=C32)OC)OC)OC 1 3.102 3 4 0 -1.84629523081771 1490257 CC(C)(C)C1=CC=CC=C1NC(=O)C2=C(N3CCC4=CC=CC(=C43)C2=O)O 1 4.226 2 3 -3.49831189559661 1490252 CC1=CC(=CC(=C1)OC2=CC=CC=C2C=O)C 1 4.122 0 2 1.27649081996711 1490249 COC1=C(C=C2C(=C1)C(=NC=N2)NCC3=C(C(=CC=C3)F)F)OC 1 3.225 3 2 -0.285654790007611 1490247 COC1=C(C=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)OC)OC)OC 1 2.781 3 4 0 -3.45048625790633 1490244 COC1=C(C=C2C(=C1)C(=NC=N2)NCC3=CC(=CC=C3)Cl)OC 1 3.478 3 2 1.57133559746301 1490243 COC1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)OC)OC 1 2.797 3 3 -0.655764461666352 1490234 CN1CCN(CC1)C2=NC=C(S2)C=O 1 0.377 3 1 0 3.48593028128258 1490230 CC(=O)NC1=CC=CC=C1OCC2=CN=C(S2)Cl 1 1.927 2 2 0 -6.88017435714873 1490213 C1=CC=C(C=C1)C2=CC(=O)ON2S(=O)(=O)C3=CC=CC=C3 1 2.159 1 4 -6.15959547782294 1490205 COC(=O)C(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)OC 1 2.436 1 4 -1.16250973371872 1490204 C1CCC2=C(C1)C(=CS2)C3=NN=C(O3)SCC(=O)NC4=CC=CC=C4 1 3.894 3 2 -17.0918547121653 1490203 CC1=CC=C(C=C1)CN2C=CC(=O)C(=C2O)CC3=CC=CC=C3 1 4.329 1 2 -2.03775166471296 1490196 CC1=CC=C(C=C1)C2=CC=NC(=S)N2 1 3.02 2 0 -1.15728565387102 1490188 C1=CC(=CC(=C1)C(F)(F)F)CN2C(=NN=N2)C3=CC(=CC(=C3)Cl)Cl 1 4.92 4 0 -4.79728600387749 1490186 CCCN1C(=NN=N1)C2=CC(=CC(=C2)Cl)Cl 1 3.266 4 0 -7.68040688570025 1490184 C=CCN1C(=NN=N1)C2=CC(=CC(=C2)Cl)Cl 1 3.011 4 0 -9.95061147570457 1490182 C1=CC(=CC(=C1)C(F)(F)F)CN2C(=NN=N2)C3=CC(=CC=C3)C(F)(F)F 1 4.533 4 0 -5.93201980229031 1490179 CC(C)N1C(=NN=N1)C2=CC(=CC(=C2)Cl)Cl 1 3.12 4 0 -4.23786073703887 1490177 C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=CC(=CC(=C2)Cl)Cl 1 4.892 1 1 -1.70848959760636 1490175 CCCN1C(=NN=N1)C2=CC(=CC=C2)Cl 1 2.602 4 0 -5.79899175844565 1490173 CC(C)N1C(=NN=N1)C2=CC(=CC=C2)Cl 1 2.456 4 0 -2.35644560978427 1490170 CN1C(=NN=N1)C2=CC(=CC(=C2)Cl)Cl 1 2.394 4 0 -3.6940653789658 1490150 C1=CC(=CC(=C1)Cl)CNC(=O)C2=CC(=CC=C2)C(F)(F)F 1 4.228 1 1 -2.2193274414439 1490149 CC(C)NC(=O)C1=CC(=CC=C1)C(F)(F)F 1 2.706 1 1 -8.59783664260054 1490136 C1=CC(=CC(=C1)C(F)(F)F)CN2C(=NN=N2)C3=CC=C(C=C3)Cl 1 4.255 4 0 -4.09222065132545 1490129 CC(C)N1C(=NN=N1)C2=CC=C(C=C2)Cl 1 2.456 4 0 -3.59719937169039 1490128 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CSC4=C3CCCC4 1 4.909 2 3 -9.88889856032779 1490127 CCCN1C(=NN=N1)C2=CC=C(C=C2)Cl 1 2.602 4 0 -7.03974552035177 1490119 CC1=C(C(=O)C=CO1)OCC2=CC=CC=C2 1 1.587 0 3 0 -1.77405106631962 1490113 CC1=C(C(=O)C=CN1C2=C(C=C(C=N2)C(F)(F)F)Cl)OCC3=C(C=CC=C3Cl)F 1 5.207 2 2 -1.32876408214116 1490088 CC1=C(C(=O)C=CN1)OCC2=C(C=CC=C2Cl)Cl 1 2.463 1 2 -6.73180404953587 1490084 CC1=C(C(=O)C=CO1)OCC2=C(C=C(C=C2)Cl)Cl 1 2.916 0 3 1.5990037279207 1490082 CC1=C(C(=O)C=CN1)OCC2=C(C=CC=C2Cl)F 1 2.004 1 2 -6.69002566336325 1490068 CN1C(=NNC1=S)C2=C(C3=C(S2)C=C(C=N3)C(F)(F)F)C4=CC=CS4 1 4.947 4 0 -1.71672327876167 1490067 CC1=C(C(=O)C=CO1)OCC2=C(C=CC=C2Cl)F 1 2.457 0 3 -2.81866262669118 1490065 C1=CSC(=C1)C2=C(SC3=C2N=CC(=C3)C(F)(F)F)C(=O)NN 1 3.185 3 1 0.769774222914453 1490012 COC(=O)C1=NN(C(=C1C=NO)Cl)C2=CC=CC=C2 1 2.626 3 3 1.13350990321077 1489974 C1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C=C2C(F)(F)F)C3=CC=CC=C3 1 3.389 3 2 -3.05449148885224 1489967 C1=CC=C(C=C1)C2=NC=C(C(=N2)OC3=CC=C(C=C3)Cl)C(=O)O 1 4.064 2 3 7.54310422814177 1489965 COC1=CC=C(C=C1)OC2=NC(=NC=C2C(=O)O)C3=CC=CC=C3 1 3.383 2 4 5.16286275721125 1489912 CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)CC3=CN=CC=C3 1 3.663 3 1 -2.59100958822221 1489896 CN(C)/C=C\1/C(=O)N(C(=S)N1)C2=CC=C(C=C2)OC 1 1.619 3 2 0 -4.08697604591692 1489917 CC1=CC(=NC(=C1S(=O)(=O)C)N(C)NC(=O)C(C)(C)C)C2=CC=CC=C2 1 4.072 3 3 -11.6905209693621 1489827 CC1=CC=C(C=C1)N2C(=CC=N2)C3=NN(C(=O)N(C3=O)C)C4=CC=CC(=C4)C(F)(F)F 1 4.694 5 2 0 -1.59623803201911 1489947 CC1=C(C(=CC=C1)OC(=O)C2=CN(N=C2C(F)(F)F)C)C 1 4.255 2 2 1.97376010820373 1489945 CN1C=C(C(=N1)C(F)(F)F)C(=O)OC2=CC=C(C=C2)OC 1 3.266 2 3 -1.09144700655306 1489927 CC(C)NC(=O)C1=NN2CCN(C(=O)C2=C1)CC3=CC=C(C=C3)OC 1 1.933 4 3 0 -13.1752480346021 1489921 CN1C=C(C(=N1)C(F)(F)F)NC(=O)OCC2=CC=C(C=C2)Cl 1 3.862 3 2 1.81133710864128 1489919 CC1=CC(=NC(=C1S(=O)(=O)C)N(C)NC(=O)C2CC2)C3=CC=CC=C3 1 3.284 3 3 -8.41220434080456 1489853 CCOC(=O)CC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 3.691 2 4 -6.36853434797236 1489772 CON=C(CS(=O)CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl 1 3.958 1 2 4.79620816706641 1489881 CN(C)/C=C\1/C(=O)N(C(=S)N1)C2=CC=CC=C2 1 1.635 3 1 0 -3.93531303191501 1489678 C1C(=NC2=C(O1)C=CC(=C2)Cl)C3=CC=C(C=C3)Cl 1 4.405 1 1 4.7792721187063 1489679 C1C(=NC2=C(O1)C=CC(=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.635 2 3 2.44073984099223 1489682 CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)NC2=CC(=CC=C2)Cl)Cl)Cl 1 4.482 1 3 -8.29780600319911 1489819 CN1C(=O)C(=NN(C1=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)/C=C/N(C)C 1 2.047 4 3 0 -2.05386707547067 1489807 CC1=CC(=CC=C1)N2C=C(C(=O)C=C2C)C(=O)O 1 2.147 1 3 -5.33533194909076 1489805 CC1=CC(=O)C(=CN1C2=CC=C(C=C2)OC)C(=O)O 1 1.644 1 4 0 -6.74245673290988 1489799 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)N3C(=O)CCC3=O)O 1 1.997 2 5 0 -6.15328805417546 1489789 C1=CSC(=C1)C(=O)CCSC2=CC=C(C=C2)Cl 1 4.493 0 1 -2.65162715169151 1489784 COC1=CC=C(C=C1)CS(=O)(=O)CC(=NOC)C2=CC=C(C=C2)Cl 1 3.373 1 4 -1.44108110400917 1489686 CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)NC2CC2)Cl)Cl 1 2.731 1 3 -12.8848233741741 1489744 CC1=CC(=CC(=C1)N2C=C(C(=O)C=C2C)C(=O)O)C 1 2.633 1 3 -6.29795596187647 1489736 CC1=CC(=O)C(=CN1C2=CC=C(C=C2)C(C)C)C(=O)O 1 2.855 1 3 -6.0460308271141 1489735 CC1=CC(=C(C=C1)N2C=C(C(=O)C=C2C)C(=O)O)C 1 2.633 1 3 -4.71489572145364 1489734 CC1(CN(C1=O)C2=CC(=CC=C2)Br)C 1 2.718 1 1 2.15934927357878 1489727 CC1=CC=CC=C1NC(=O)N2C(=NN=C2SC)N 1 2.121 5 1 -5.3868566873251 1489726 CSC1=NN=C(N1C(=O)NC2=CC=C(C=C2)Cl)N 1 2.299 5 1 -1.35282956688931 1489723 CC1=CC=C(C=C1)NC(=O)N2C(=NN=C2SC)N 1 2.121 5 1 -3.17482825747613 1489719 CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)NC2=CC=CC=C2)Cl)Cl 1 3.818 1 3 -10.3872003967594 1489718 CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)NC)Cl)Cl 1 2.241 1 3 -12.7630882708121 1489671 CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)NC2=CC=CC=C2OC)Cl)Cl 1 3.801 1 4 -13.6719512111639 1489664 CC1=CC2=C(C=C1)OCC(=N2)C3=CC=C(C=C3)OC 1 3.546 1 2 3.52007204924972 1489662 CC1=CC2=C(C=C1)OCC(=N2)C3=CC=C(C=C3)Cl 1 4.227 1 1 5.75503694898068 1489660 CC1=CC2=C(C=C1)OCC(=N2)C3=CC=C(C=C3)F 1 3.768 1 1 4.64491528385912 1489658 CC(=O)N(C1=NC=NC2=C1C(=NN2C(C)(C)C)C3=CC=C(C=C3)Cl)C(=O)C 1 3.292 5 2 0 1.67223267098828 1489656 CC(C)(C)N1C2=C(C(=N1)C3=CC=C(C=C3)F)C(=NC=N2)N 1 2.976 5 0 3.59006506136148 1489654 CC1=CC=C(C=C1)C2=NN(C3=C2C(=NC=N3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(C)(C)C 1 4.385 6 4 0 -1.41653074797268 1489649 CCOC1=CN=C(O1)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C 1 3.525 2 3 -1.07124360801352 1489647 CCOC1=CN=C(O1)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C 1 3.984 2 3 -1.8577291177838 1489627 C1=CC=C2C(=C1)C=[N+](N=C2[O-])C3=CC=C(C=C3)Cl 1 3.528 2 1 -0.168273057435863 1489626 C1CCC(CC1)NS(=O)(=O)C2=CC=C(S2)C3=CSN=N3 1 3.169 3 2 -9.21801463586022 1489621 CC(C)(C)NS(=O)(=O)C1=CC=C(S1)C2=CSN=N2 1 2.242 3 2 -10.5981502508171 1489619 CN(C1=NC(=NC2=CC=CC=C21)C(F)(F)F)NC(=O)C3=CC=CC=C3F 1 3.552 4 1 -6.94070838800552 1489617 C1=CC=C(C(=C1)C(=O)NNC2=C(C=C(C=C2)F)F)C(=O)O 1 2.677 2 3 -4.24657837149806 1489614 CC1=CC=CC=C1NN=C2CCCNC2=O 1 1.851 3 1 0 -10.0018895204647 1489598 C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC(=CC=C3)Cl)Cl)C(=O)C4=CC=CC=C4F 1 3.368 4 2 -5.03943952086106 1489581 C1=CC=C(C=C1)CC(=O)NCCS(=O)C2=CC=C(C=C2)Cl 1 2.815 1 2 -4.55187588024894 1489579 C1=CC(=CC=C1CC(=O)NCCS(=O)C2=CC=C(C=C2)Cl)Cl 1 3.48 1 2 -4.5633799176869 1489577 CC1=CC=C(C=C1)CC(=O)NCCS(=O)C2=CC=C(C=C2)Cl 1 3.302 1 2 -3.73706097546934 1489562 CC1=CC=CC(=C1)C2=CC3=C(C4=CC=CC=C4C3=NN2)N=O 1 5.061 3 1 10.0205983942178 1489560 C1=CC=C(C=C1)C2=CC3=C(C4=CC=CC=C4C3=NN2)N=O 1 4.575 3 1 6.028607838545 1489542 C1=CC(=C(C(=C1)F)C(=O)NC2=NC(=S)SS2)F 1 4.375 2 1 -8.8679330795809 1489523 CC1=CC=C(C=C1)SCC2=CC(=O)N(N2)C 1 1.763 2 1 0 -0.858565954508468 1489520 CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)C#N)C 1 5.183 1 1 3.43272759822791 1489507 CCC(=O)NC1=NC(=S)SS1 1 2.966 2 1 -6.63197658740577 1489506 CC1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2)NC(=O)C3CC3)C#N 1 3.079 2 2 -2.93177425217733 1489499 C1COCCN1C2=NC(=NC(=C2)CSC3=CC=C(C=C3)Cl)C4=CC=CC=N4 1 3.723 4 1 4.49831727343467 1489495 CC1=NC(=CC(=N1)N2CCOCC2)CSC3=CC=C(C=C3)Cl 1 2.78 3 1 0.339502445290792 1489491 C1=CC=C(C=C1)C2=NC(=CC(=N2)OC3=CC=CC=C3)CS(=O)C4=CC=CC=C4 1 4.999 2 2 7.27549791831509 1489490 CNC1=NC(=NC(=C1)CS(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.775 3 1 4.31206361520485 1489489 CCN(CC)C1=NC(=NC(=C1)CS(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.678 3 1 4.1421206419386 1489460 CC1(OC(=O)C(=CSC2=CC=C(C=C2)C(C)(C)C)C(=O)O1)C 1 3.361 0 4 0.996748167255039 1489441 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4 1 4.65 3 2 -5.76550797431854 1489439 CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCOCC2)C3=CC=CC=C3 1 2.478 3 3 -4.16774174383431 1489435 CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C3=CC=CC=N3)C4=CC=CC=C4 1 3.808 5 2 0 -0.447825429963737 1489433 CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C)C3=CC=CC=C3 1 2.748 4 2 0.400749774892117 1489420 CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCCCC2)C3=CC=CC=C3 1 3.707 3 2 -2.57865562112154 1489419 CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCCC2)C3=CC=CC=C3 1 3.251 3 2 -2.22418710695346 1489418 C1=CC=C2C(=C1)C(=NN=N2)NC3=CC=C(C=C3)C(F)(F)F 1 3.126 4 0 2.53707200450802 1489416 C1=CC=C2C(=C1)C(=N)N(N=N2)C3=CC=CC(=C3)C(F)(F)F 1 4.405 4 0 -6.48070918177788 1489415 C1=CC=C2C(=C1)C(=N)N(N=N2)C3=CC=C(C=C3)C(F)(F)F 1 4.405 4 0 -6.99918158627792 1489371 CC1=CC=C(C=C1)S(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3 1 3.24 2 4 -2.12575421562459 1489366 C1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CS3 1 4.311 2 1 -2.68918877596755 1489357 CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CN3CCOCC3)F 1 0.969 4 2 0 -3.355138746485 1489353 C1CC2=CC=CC=C2C(=NOC(=O)C3=CC=C(C=C3)F)C1 1 4.111 1 2 -0.809224870930858 1489338 CN1C(=C(C(=N1)C(F)(F)F)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)OC)Cl 1 4.554 3 4 0 -4.17644450061022 1489332 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(N(N=C2C(F)(F)F)C)Cl)C3=CC=C(C=C3)OC 1 5.056 3 3 -3.35012555839266 1489331 CN1C(=C(C(=N1)C(F)(F)F)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3)Cl 1 4.57 3 3 -4.24613519762882 1489321 CCN1C(=NN=C1SCC2=CC=CC=C2C)COC3=NN(C(=O)C=C3)C4=CC=CC=C4 1 4.529 5 2 0 -14.3433271726105 1489320 CCN1C(=NN=C1SCC2=CC(=CC=C2)OC)COC3=NN(C(=O)C=C3)C4=CC=CC=C4 1 4.027 5 3 0 -12.3136104305466 1489319 CCN1C(=NN=C1SCC2=CC=CC=C2)COC3=NN(C(=O)C=C3)C4=CC=CC=C4 1 4.043 5 2 0 -12.6098551834923 1489313 C1=CC=C(C=C1)C2=CN(N=N2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.43 4 2 2.05205449076109 1489305 COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)N 1 2.73 3 2 -1.19857007562912 1489304 C1CN(CCN1CC2=CN=C(S2)OC3=CC=C(C=C3)Br)C4=CC=CC=C4 1 4.916 3 1 9.07479188528607 1489303 COC(=O)C1=CC(=C(C=C1)S(=O)(=O)C2=CC=CC=C2)N 1 2.041 1 4 -11.251131350107 1489288 C1CN(CCN1CC2=CN=C(S2)N3CCOCC3)C4=CC=C(C=C4)F 1 2.043 4 1 6.85795939924011 1489279 C1CN(CCN1CC2=CN=C(S2)N3CCOCC3)C4=CC=CC=C4 1 1.838 4 1 0 5.88477917863262 1489270 C1=CC=C(C(=C1)C(=O)N(C2=NC=CC(=N2)C3=CC=CS3)C(=O)C4=CC=CC=C4Cl)Cl 1 6.24 3 2 -2.62278943510559 1489268 CC1=CC=CC=C1CSC2=NC3=CC(=C(C=C3C(=N)N2CC4=CC(=C(C=C4)OC)Cl)OC)OC 1 6.559 3 3 -14.5366719497793 1489267 CC1=CC=C(C=C1)CSC2=NC3=CC(=C(C=C3C(=N)N2CC4=CC(=C(C=C4)OC)Cl)OC)OC 1 6.559 3 3 -12.2804665689525 1489266 C1CC1C(=O)C2=CNC(=C2)C(=O)NCC3=CC=C(C=C3)F 1 2.709 2 2 -7.34221139028873 1489265 C1CC1C(=O)C2=CNC(=C2)C(=O)NCC3=CC=CC=C3Cl 1 3.168 2 2 -9.41772784623745 1489263 COC1=CC=C(C=C1)CNC(=O)C2=CC(=CN2)C(=O)C3CC3 1 2.488 2 3 -8.46705462489812 1489262 C1CC1C(=O)C2=CNC(=C2)C(=O)NCC3=CC=NC=C3 1 1.353 3 2 0 -8.57809286653001 1489260 COC1=C(C=C(C=C1)CN2C(=C3C=C(C(=CC3=NC2=S)OC)OC)N)Cl 1 3.518 3 3 -0.594254337085422 1489254 CC(C)(C)N1C=C(NC1=O)S(=O)(=O)C2=CC=CC=C2 1 1.512 2 3 0 -10.625948142735 1489253 CCN1C(=C(NC1=O)CS(=O)(=O)C2=CC=CC=C2)C 1 0.998 2 3 0 -11.74865402666 1489251 CCN1C=C(N(C1=O)CC2=CC=CC=C2C)S(=O)(=O)C3=CC=C(C=C3)C 1 3.691 2 3 -9.88788293306454 1489247 C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)C3=CC4=C(O3)C=CC5=CC=CC=C54 1 5.372 3 2 4.70120183062131 1489246 CN1C=C(C=C1C(=O)O)C(=O)C2=C(C(=CC=C2)Cl)Cl 1 3.783 1 3 -0.676383757828395 1489245 CC1=CC=C(C=C1)CNC(=O)C2=CC=CN2 1 2.492 2 1 -4.79648135076049 1489244 C1=CC=C(C(=C1)CNC(=O)C2=CC=CN2)Cl 1 2.671 2 1 -6.25751500776875 1489243 C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=CC=CN2 1 2.949 2 1 -1.66718943798183 1489242 C1=CNC(=C1)C(=O)NCC2=CC=C(C=C2)F 1 2.212 2 1 -4.08460432529524 1489239 CC(=O)C1=CNC(=C1)C(=O)NCC2=CC=CC=C2 1 1.746 2 2 0 -7.22405807270362 1489238 COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3=C(C=C(C=C3)Cl)Cl)CC4=CC=CS4)OC 1 6.494 3 2 -12.3471990002305 1489235 CN1C=C(N(C1=O)C)S(=O)(=O)C2=CC=CC=C2 1 0.786 2 3 0 -10.0851063165142 1489234 CCN1C=C(NC1=O)S(=O)(=O)C2=CC=C(C=C2)C 1 1.415 2 3 0 -9.82898024227729 1489232 COC1=C(C=C(C=C1)CNC(=O)C2=CC=CN2)Cl 1 2.654 2 2 -5.56653655889394 1489229 CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)NCC3=CC=CS3 1 3.637 2 2 -10.0113716854274 1489228 COC1=CC=C(C=C1)CNC(=O)C2=CC=CN2 1 1.99 2 2 0 -5.20944755990463 1489222 CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CN3)C(=O)C4=CC=CC=C4C)C 1 5.121 3 2 -0.275810353723664 1489221 CC(=O)C1=CNC(=C1)C(=O)NCC2=CC=C(C=C2)OC 1 1.73 2 3 0 -6.82220937706816 1489220 CC(=O)C1=CNC(=C1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F 1 2.688 2 2 -3.32239493284222 1489219 CC(=O)C1=CNC(=C1)C(=O)NCC2=CC=CC=C2Cl 1 2.41 2 2 -7.77288259840749 1489218 CC(=O)C1=CNC(=C1)C(=O)NCC2=CC=CC=C2OC 1 1.73 2 3 0 -8.93646720813407 1489214 CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)N 1 2.107 2 2 -3.32937947074067 1489210 CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 4.354 3 2 -1.50583649172739 1489209 C1=CC=C(C=C1)S(=O)(=O)C2=CNC(=O)N2 1 0.374 2 3 0 -12.0338816719135 1489208 C1=CC=C(C=C1)CC(=O)C2=CNC(=C2)C(=O)O 1 2.283 1 3 -2.25549787764768 1489203 COC(=O)C1=CC(=CN1)C(=O)CC2=CC=CC=C2 1 2.509 1 3 -3.10480937863915 1489198 C1=CC=C(C=C1)CC(=O)C2=CNC(=C2)C(=O)NCC3=CC=NC=C3 1 2.295 3 2 -6.35056038051021 1489193 CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)NCC3=CC=CO3 1 3.078 2 3 -9.31660651779284 1489186 CCC(CC)C(=O)C1=CNC(=C1)C(=O)O 1 2.626 1 3 -3.15583437471789 1489185 CCC(CC)C(=O)C1=CNC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 4.04 3 2 -1.62249837593555 1489184 CCC(CC)C(=O)C1=CNC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F 1 4.245 3 2 -0.78798383427925 1489183 CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCC2=CC=CS2 1 3.528 2 2 -9.36453779846691 1489182 CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)NCCC3=CC=CC=N3 1 3.209 3 2 -8.99596420060717 1489179 CCC(CC)C(=O)C1=CNC(=C1)C(=O)OC 1 2.852 1 3 -4.00514587570936 1489174 C1CN(C=CC(=N1)C(F)(F)F)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.036 3 3 -3.79742205609603 1489173 CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCC2=CC=CC=N2 1 2.852 3 2 -8.72103954973754 1489170 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCN=C(C=C3)C(F)(F)F 1 4.017 3 2 -8.73879553166022 1489169 CCC(CC)C(=O)C1=CNC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 4.023 3 3 -1.77416138993746 1489168 CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCCC2=CC=CC=N2 1 3.101 3 2 -8.27811154315903 1489164 C1=CC(=CC(=C1)F)CN2C=CC(=C(C2=O)C#N)C3=CC=CO3 1 2.384 2 2 0.598563799980061 1489162 CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCC2=CC=NC=C2 1 2.637 3 2 -7.0402904070658 1489155 CC1=NN2C(=CC=NC2=C1Cl)C3=CC=CC=N3 1 2.274 4 0 -0.207173702598787 1489154 CC1=NN2C(=CC=NC2=C1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 2.891 4 2 -4.43327327956357 1489142 CC1=CC=C(C=C1)C2=CC=NC3=C(C(=NN23)C)Br 1 3.567 3 0 0.33901494621273 1489141 CC1=CC=C(C=C1)C2=CC=NC3=C(C(=NN23)C)Cl 1 3.483 3 0 0.747603503760133 1489139 CC1=NN2C(=CC=NC2=C1Br)C3=CC=CC=C3 1 3.08 3 0 5.27951242313335e-002 1489122 C1=C(C2=NN=C(N2C=C1C(F)(F)F)C(F)F)Cl 1 2.787 3 0 0.62252268057764 1489117 C1=CSC(=C1)C(=O)NC2=NC=C(C=N2)Cl 1 1.974 3 1 0 -4.66619138494484 1489114 C1=CC(=NN2C1=NN=C2C(F)(F)Cl)Cl 1 2.272 4 0 -4.03043316470123 1489112 C1CN(CCN1CC2=CN=C(S2)Cl)C3=CC=CC=C3 1 2.942 3 0 7.07184046928834 1489111 CC(=NNC(=O)C1=CC=CO1)C2=CC3=C(O2)C(=CC=C3)OC 1 2.637 2 4 -3.53223379823329 1489110 COC1=CC=CC2=C1OC(=C2)C(=NO)C3=CC=CC=C3 1 3.88 1 3 1.15946407218949 1489107 COC1=CC=CC2=C1OC(=C2)C(=O)C3=CC=CC=C3 1 3.812 0 3 -0.390779966843589 1489101 CCOC(=O)C1=CC=C(C=C1)N2C=C(N=N2)C(=O)C3=CN=CC=C3 1 2.475 4 3 0 -7.64597698245859 1489071 CC(C)(C)COC(=O)NC1=CC2=C(S1)N(N=C2C(F)(F)F)C 1 3.944 3 2 -2.22994766577809 1489070 CN1C2=C(C=C(S2)NC(=O)OCC3=CC=C(C=C3)OC)C(=N1)C(F)(F)F 1 4.045 3 3 1.50748918357891e-002 1489069 CN1C2=C(C=C(S2)NC(=O)OCC3=CC=C(C=C3)F)C(=N1)C(F)(F)F 1 4.267 3 2 0.790101511747298 1489065 CC(C)NC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-] 1 2.812 2 3 -9.02067240093989 1489063 C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CSC4=CC=C(C=C4)F 1 4.324 2 1 -2.98851914394572 1489061 CN(C)C(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-] 1 2.291 2 3 -0.609220073341231 1489056 C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CSC4=C(C=CC=C4Cl)Cl 1 5.447 2 1 -4.44911080608271 1489055 C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CSC4=CC=C(C=C4)Cl 1 4.782 2 1 -1.87839747882415 1489053 C1CN(CCC1(CN2CCOCC2)O)C(=O)C3=CC(=C(C=C3)Cl)Cl 1 1.688 2 3 0 -0.322121786128787 1489051 CC(=O)NC1=CC=C(C=C1)OC2=C(C(=C(S2)C(=O)C3=CC=CC=C3)N)C#N 1 3.124 3 3 -7.93054597938963 1489050 C1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)OC3=CC4=CC=CC=C4C=C3)C#N)N 1 4.912 2 2 -1.07423523387819 1489049 CC1=C(C(=CC=C1)OC2=C(C(=C(S2)C(=O)C3=CC=CC=C3)N)C#N)C 1 4.977 2 2 -2.5404436609603 1489041 CC1=CC=CC2=C3C(=CN=C12)C(=O)N(N3)C4=CC=CC=C4 1 3.262 3 1 -0.656614331930758 1489039 C1CN(CCC1=NOC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.266 2 4 -11.9797206160857 1489036 CC1=CC(=CC=C1)OC2=C(C(=C(S2)C(=O)C3=CC=CC=C3)N)C#N 1 4.49 2 2 -2.45789453247958 1489035 C1CN(CCC1=NO)S(=O)(=O)C2=CC=CC=C2 1 0.778 2 3 0 -12.6197500426144 1489030 COC1=CC(=CC=C1)SCC2(CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)O 1 3.371 1 3 1.80217894584209 1489029 C1CN(CCC1(CSC2=C(C=C(C=C2)Cl)Cl)O)C(=O)C3=CC=C(C=C3)Cl 1 4.716 1 2 1.03765345167334 1489028 C1CN(CCC1(CSC2=CC=C(C=C2)Cl)O)C(=O)C3=CC=C(C=C3)Cl 1 4.052 1 2 1.9653547304742 1489027 C1CN(CCC1(CSC2=CC=CC=C2)O)C(=O)C3=CC=C(C=C3)Cl 1 3.387 1 2 1.86850844737564 1489025 CC1=CC=C(C=C1)SCC2(CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)O 1 3.873 1 2 2.79167367269176 1489019 CCC1=NC2=CC=CC=C2C3=NC4=CC=CC=C4N13 1 3.667 3 0 -1.77466411997584 1489009 C1=CC2=C(C3=C(N2C=C1)C=C(C=C3)OCC(=O)NCC4=CC=CO4)C#N 1 2.55 3 3 -14.074652878447 1488987 CC1=C(C=CC(=C1OC)S(=O)NC2CCCCC2)OC 1 3.454 1 3 2.45044929957045 1488983 COC1=CC2=C(C=C1)C(=C3N2C=CC=C3)C#N 1 2.724 2 1 -1.86578583421688 1488982 C1=CC(=C(C=C1NC(=O)OCC2=CN=CS2)Cl)Cl 1 3.039 2 2 -3.22994288199225 1488981 CC1=CC=C(C=C1)NC(=O)OCC2=CN=CS2 1 2.196 2 2 -4.85003157520567 1488980 C1=CC=C(C(=C1)NC(=O)OCC2=CN=CS2)Cl 1 2.374 2 2 -5.86511277711036 1488979 C1=CC(=CC=C1NC(=O)OCC2=CN=CS2)Cl 1 2.374 2 2 -3.02803288461885 1488978 C1=CC(=CC(=C1)Cl)NC(=O)OCC2=CN=CS2 1 2.374 2 2 -2.10116231850023 1488977 C1=CC(=CC=C1CC2=C(N(C=CC2=O)CCC3=CN=CN3)O)F 1 2.261 3 2 0.719743611059433 1488976 C1=CC(=CC=C1CC2=C(N(C=CC2=O)CC3=C(C=C(C=C3)Cl)Cl)O)F 1 5.377 1 2 1.16824892660665 1488974 C1=CC=C(C=C1)NC(=O)OCC2=CN=CS2 1 1.71 2 2 0 -5.00668571357902 1488971 C1=CC=NC(=C1)CCN2C=CC(=O)C(=C2O)CC3=CC=C(C=C3)F 1 3.361 2 2 -4.42781036602295 1488970 C1=CC(=CC=C1CC2=C(N(C=CC2=O)CC3=CC=C(C=C3)F)O)F 1 4.254 1 2 -1.61890610129595 1488969 C1=CC=C(C=C1)/C=C/C(=O)OCC2=CN=CS2 1 2.27 1 2 -5.60257571173595 1488965 C1=CC=C(C(=C1)C(=O)OCC2=CN=CS2)Cl 1 2.466 1 2 -6.50158128957063 1488964 CC1=CC=CC(=C1)C(=O)OCC2=CN=CS2 1 2.288 1 2 -7.20510863360827 1488962 C1CC1N2C=CC(=O)C(=C2O)CC3=CC=C(C=C3)F 1 2.954 1 2 -1.91484219003004 1488961 C1CC1(C(=O)O)S(=O)(=O)CCC(=C(F)F)F 1 0.576 0 4 0 -4.77158191346776 1488960 C1=CSC(=C1)C(=O)OCC2=CN=CS2 1 1.755 1 2 0 -8.52734145960215 1488959 C1CCCC(CCC1)N2C=CC(=O)C(=C2O)CC3=CC=CC=C3 1 5.03 1 2 -3.74256144771655 1488958 C1OC2=C(O1)C=C(C=C2)CN3C=CC(=O)C(=C3O)CC4=CC=CC=C4 1 3.611 1 4 -3.85812901081789 1488956 C1=CC=C(C=C1)C(=O)OCC2=CN=CS2 1 1.802 1 2 0 -7.38998220502685 1488946 C#CCN1C=CC(=O)C(=C1O)CC2=CC=CC=C2 1 3.451 1 2 -6.1588085827761 1488943 CC(=O)C(CC1=CN=C(S1)Cl)(CC2=CN=C(S2)Cl)C(=O)C 1 2.066 2 2 -0.648110762906429 1488941 C1=CC=C(C=C1)CC2=C(N(C=CC2=O)CC3=CC=CO3)O 1 3.024 1 3 -3.2784016945868 1488927 C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)C4=CC=C(C=C4)Cl 1 3.504 4 2 -2.08845662555582 1488922 CN1C(=S)N(C=N1)C2=CC(=C(C=C2)Cl)Cl 1 3.47 3 0 -0.543442704975449 1488921 CC1=CC=C(C=C1)N2C=NN(C2=S)C 1 2.627 3 0 -1.21028524364157 1488919 CC(C)SC1=NC=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2 1 1.987 2 3 0 -13.3013501875583 1488918 CSC1=NC=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2 1 1.261 2 3 0 -12.4344199402635 1488911 CCN(CC)C1=NC(=NC=C1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3 1 4.038 3 2 -4.11451226288208 1488909 CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N3CCN(CC3)C)C4=CC=CC=C4 1 3.298 4 2 1.97945955074517 1488907 COC1=NC(=NC=C1S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.296 2 3 -3.20341622111537 1488906 CC(=O)CN1C(=O)C(=C(C=N1)N2CCOCC2)Cl 1 -0.69 3 3 0 -9.12200817619004 1488905 C1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(S2)N)C3=CC=C(C=C3)Cl 1 3.919 2 2 3.3519433767432 1488897 C1CSC2=C(C=CS2)C(=O)N1CC3=CC(=CC=C3)Cl 1 3.638 1 1 -1.97912171872684 1488896 C1CSC2=C(C=CS2)C(=O)N1CC3=C(C=CC=C3Cl)Cl 1 4.303 1 1 -5.76159462794834 1488894 CC1=CC=CC=C1CN2CCSC3=C(C2=O)C=CS3 1 3.46 1 1 -5.16388127980515 1488893 CC1=CC(=CC=C1)CN2CCSC3=C(C2=O)C=CS3 1 3.46 1 1 -3.14656465500445 1488892 C1CSC2=C(C=CS2)C(=O)N1CC3=C(C=CC=C3Cl)F 1 3.844 1 1 -7.22210459669952 1488891 C1CSC2=C(C=CS2)C(=O)N1CC3=CC=CC=C3Cl 1 3.638 1 1 -4.17301610741488 1488876 C1/C(=C\C2=CC(=C(C=C2)F)F)/C(=O)C3=C(S1)SC=C3 1 4.155 0 1 -0.64476419732458 1488872 C1/C(=C\C2=CC(=CC=C2)F)/C(=O)C3=C(S1)SC=C3 1 3.949 0 1 0.937029104359122 1488868 C1/C(=C\C2=CC=CC=C2)/C(=O)C3=C(S1)SC=C3 1 3.743 0 1 -1.19149998462633 1488852 CC1=CC2=C(C=C1)SCC3=CN=C(N=C32)SC 1 3.842 2 0 1.9804079171493 1488848 CN(C)C1=NC(=NC2=C1CCCC2)SCC3=CC=C(C=C3)Cl 1 4.963 3 0 -5.86581862886144 1488847 CN(C)C1=NC(=NC2=C1CCCC2)SCC3=CC=CC=C3Cl 1 4.963 3 0 -9.33579699402401 1488846 CC1=CC2=C(C=C1)SCC3=C2NC(=S)N=C3 1 3.276 2 0 -2.70981491592364 1488836 CC1=CC=C(C=C1)C=NNC(=O)C2=C(C=CS2)OCC3=CC=C(C=C3)F 1 4.895 2 2 -5.36942885770774 1488835 C1=CC=C(C=C1)C=NNC(=O)C2=C(C=CS2)OCC3=CC=C(C=C3)F 1 4.409 2 2 -5.54137267479209 1488834 COC1=C(C=C(C=C1)C=NNC(=O)C2=C(C=CS2)OCC3=CC=C(C=C3)F)OC 1 4.376 2 4 -9.41565522390053 1488829 C1=CC2=C(C(=C1)OCC3=CN=C(S3)Cl)N=CC=C2 1 2.993 2 1 -3.79359718281211 1488824 COC(=O)C1=C(C=NC=C1)N 1 -0.212 2 2 0 -4.31250292007166 1488801 CC1=C(C(=O)C=CN1)CC2=C(C=CC=C2Cl)Cl 1 3.126 1 1 -7.23036920677892 1488800 CC1=CC=C(C=C1)N2C(=CC=N2)C3=C(SC(=C3)Cl)Cl 1 4.932 2 0 1.73154038451222 1488788 CC(=O)NC1=CC=C(C=C1)C#CC2=CC=C(C=C2)NC(=O)C 1 2.179 2 2 -1.35936378003726 1488784 CNC1=NC=CC(=C1C#N)C2=CC=C(C=C2)F 1 2.157 3 0 -3.1609014767247 1488779 COC1=CC=C(C=C1)OC2=NC=CC(=C2C#N)C3=CC=C(C=C3)F 1 4.365 2 2 0.164004314089957 1488778 CC1=CC2=NC(=CN2C=C1)C3=C(ON=C3)C 1 1.603 3 1 0 -1.2513462507543 1488777 CC1=C(C=NO1)C2=CN3C=CC=CC3=N2 1 1.116 3 1 0 -1.51755754288026 1488776 C1=CC=C(C=C1)C2=C(C(=NC=C2)OC3=CC=CC=C3)C#N 1 4.176 2 1 -1.24541182136384 1488775 C1COCCN1C2=NC=CC(=C2C#N)C3=CC=C(C=C3)F 1 2.051 3 1 -2.30030250594036 1488773 COC1=NC=CC(=C1C#N)C2=CC=C(C=C2)F 1 2.804 2 1 -2.27921092531089 1488752 CC1=CC(=NC(=C1S(=O)(=O)C)OC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3 1 5.68 1 3 4.00210888791356 1488751 CC1=CC(=NC(=C1S(=O)(=O)C)OC2=CC=C(C=C2)C(C)(C)C)C3=CC=CC=C3 1 6.138 1 3 3.54446104834911 1488750 CC1=CC(=NC(=C1S(=O)(=O)C)NC)C2=CC=CC=C2 1 2.986 2 2 -4.02225952770703 1488749 CC1=CC(=NC(=C1S(=O)(=O)C)N(C)C)C2=CC=CC=C2 1 3.339 2 2 -4.22303783365734 1488746 CC1=CC(=NC(=C1S(=O)(=O)C)OC2=CC=CC=C2OC)C3=CC=CC=C3 1 4.721 1 4 -3.45099020652865 1488742 CCN(CC)C(=O)C1=C(N=C2N1C=CC=C2)C 1 1.393 3 1 0 -7.97703248339086 1488734 CC1=CC(=C(C(=O)N1)S(=O)(=O)CC2=CC=C(C=C2)Cl)C 1 2.114 1 3 -13.9254676997519 1488733 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(C=C2C)C)OC3=CC=CC(=C3)C(F)(F)F 1 6.078 1 3 0.17367681074246 1488732 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(C=C2C)C)OC3=CC=CC(=C3C)C 1 6.108 1 3 -3.05748925499672 1488731 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(C=C2C)C)OC3=CC=C(C=C3)OC 1 5.119 1 4 -3.51774218480178 1488730 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(C=C2C)C)N3CCCC3 1 4.199 2 2 -4.19539986083703 1488729 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(C=C2C)C)N3CCCCC3 1 4.655 2 2 -4.54986837500511 1488727 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(C=C2C)C)NC 1 3.384 2 2 -8.01656493541108 1488725 CC1=CC(=NC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)NC)C 1 3.563 2 2 -6.00626965049046 1488723 CCOC(=O)C1=C(N=C2N1C(=CC(=C2)C)C)C 1 2.254 2 2 -4.13291058548676 1488716 CN(C)C1=C(C(=NC=C1)OC2=CC=C(C=C2)Cl)C#N 1 3.484 3 1 -2.65473030302453 1488702 CC1=NOC(=C1Cl)NC(=O)C2=CC(=CC=C2)C(F)(F)F 1 3.082 2 2 -1.8373658649786 1488701 CC1=NOC(=C1Cl)NC(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.469 2 2 -4.53006088737289 1488700 CN(C)C1=C(C(=O)NC=C1)C#N 1 -0.714 3 1 0 -4.93830786226486 1488697 COC1=C(C(=NC=C1)OC2=CC=CC=C2)C3=NC=NN3 1 2.447 4 2 -3.37089753019758 1488696 CC1=NOC(=C1Cl)NC(=O)C2=CC=C(C=C2)Cl 1 2.804 2 2 -3.983326605381 1488680 CC(=O)NC1=CC=C(C=C1)N2CC(C2=O)(C)C 1 1.09 2 2 0 -5.14782484770662 1488678 CC1(CN(C1=O)C2=C(C=C(C=C2)Br)Br)C 1 3.466 1 1 3.31585414357889 1488677 CC1(CN(C1=O)C2=CC=C(C=C2)CC#N)C 1 1.883 2 1 0 -1.39636099506517 1488673 CC1=CC=C(C=C1)CN2CCC(CC2)C3=CC(=NN3)C4=CC=CS4 1 5.016 3 0 5.82205928930457 1488663 CCOC(=O)CN1CCC(CC1)C2=CC(=NN2)C3=CC=C(C=C3)Cl 1 3.713 3 2 1.27041815800898 1488662 CC1(CN(C1=O)C2=CC(=CC(=C2)OC)OC)C 1 1.937 1 3 0 -2.63517406457986 1488650 CC1=NC(=CC=C1)NC(=O)C2=CSN=N2 1 1.259 4 1 0 -10.9391886016004 1488648 CC1=CC(=NC(=C1)NC(=O)C2=CSN=N2)C 1 1.745 4 1 0 -11.582964517879 1488634 C1=CC=C(C=C1)SCC2=CC(=O)NC(=S)N2 1 2.437 2 1 -6.70027474785489 1488625 C1CC(=NN(C1)C(=O)C2CC2)C3=CC=C(C=C3)Cl 1 2.883 2 1 -3.70179651605611 1488624 C1CC(=NN(C1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 3.789 2 1 -1.09944296174431 1488623 CC1=CC=C(C=C1)N2C(=C(SC2=S)C#N)SC 1 4.916 2 0 -1.2515178477328 1488613 CCOC(=O)C1=C(N(C(=S)S1)C2=CC=C(C=C2)C)SC 1 5.241 1 2 -5.79846424063021 1488612 CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2Cl)SC 1 5.419 1 2 -4.66323256610766 1488595 CC(C)ON=C1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3 1 3.285 2 2 -0.35944290893399 1488590 CNC1=NC(=C(C(=N1)Cl)SC)N2CCOCC2 1 1.713 4 1 0 -1.75516670020175 1488565 CC(C)CC(=O)ON=C1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3 1 3.718 2 3 -1.31107073959397 1488564 CC(C)(C)C(=O)ON=C1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3 1 3.889 2 3 -0.674746482740613 1488560 C1CC1C(=O)ON=C2C3=CC=CC=C3N(C2=O)C4=CC=CC=C4 1 3.101 2 3 -2.49951806733393 1488551 CC1=CC=C(C=C1)CNS(=O)(=O)NCC2=CC=CC=C2 1 2.202 2 2 -1.01326896030803 1488550 CC(=NOCC1=CC=C(C=C1)Cl)C2=CC=C(S2)CC#N 1 4.082 2 1 0.313862052887023 1488549 C1=CC=C(C=C1)CNS(=O)(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 3.045 2 2 -5.41464338669106e-003 1488548 C1=CC=C(C=C1)CNS(=O)(=O)NCC2=CC=CC=C2 1 1.716 2 2 0 -2.12111532713587 1488547 CC1=CC=C(C=C1)CON=C(C)C2=CC=C(S2)CC#N 1 3.904 2 1 -1.5081366376998 1488546 CC(=O)C1=CC=C(S1)/C(=C/C2=CC=NC=C2)/C#N 1 2.489 2 1 -10.1665571593549 1488542 C1=CC(=CC=C1CNS(=O)(=O)NCC2=CC=C(C=C2)Cl)Cl 1 3.045 2 2 0.515698268230547 1488540 CC1=CC=C(C=C1)CNS(=O)(=O)NCC2=CC=C(C=C2)Cl 1 2.867 2 2 1.3420172104481 1488535 CC(=O)C1=CC=C(S1)/C(=C/C2=CC(=CC=C2)OC)/C#N 1 3.623 1 2 -9.94653671898025 1488533 CC(=O)C1=CC=C(S1)/C(=C/C2=CC=CC=C2)/C#N 1 3.639 1 1 -10.1522508943011 1488530 C1=CC(=C(C=C1Cl)Cl)C(=O)C2=CC=C(S2)CC(=O)N 1 3.844 1 2 1.02952623542051 1488527 CC1=CC=CC=C1C2=NN=C(O2)C3=CC=CS3 1 3.493 2 1 -1.67433422018605 1488517 CC1=C(C(=CC=C1)C)S(=O)(=O)C2=C(N=C(C=C2C)C)OCC(C)C 1 5.237 1 3 -6.99333801705077 1488513 CC(C)(C)C(=O)NC1=NC(=NC=C1)C2=CN=CC=C2 1 1.726 4 1 0 -9.91534119115227 1488512 CCC(=O)NC1=NC(=NC=C1)C2=CN=CC=C2 1 0.847 4 1 0 -4.02240658897392 1488511 CC1=C(C(=CC=C1)C)S(=O)(=O)C2=C(N=C(C=C2C)C)Cl 1 4.396 1 2 -2.43400662426816 1488510 C1=CC(=CN=C1)C2=NC=CC(=N2)NC(=O)C3=CC=C(C=C3)F 1 2.05 4 1 -3.37401281129751 1488509 C1CC1C(=O)NC2=NC(=NC=C2)C3=CC=NC=C3 1 0.937 4 1 0 -0.519485988170462 1488507 CC(C)CC(=O)NC1=NC(=NC=C1)C2=CC=NC=C2 1 1.555 4 1 0 -5.45301984780076 1488506 CC(C)C(=O)NC1=NC(=NC=C1)C2=CN=CC=C2 1 1.309 4 1 0 -7.14994466590194 1488505 CC1=C(C(=CC=C1)S(=O)(=O)C2=C(C=C(NC2=O)C)C)C 1 2.415 1 3 -12.2775156449096 1488504 CC1=CC=C(C=C1)C(=O)NC2=NC(=NC=C2)C3=CC=NC=C3 1 2.33 4 1 -1.54318591242397 1488503 C1=CC(=CC=C1C(=O)NC2=NC(=NC=C2)C3=CC=NC=C3)Cl 1 2.508 4 1 0.278812778162849 1488502 C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC(=NC=C2)C3=CN=CC=C3 1 2.417 5 1 1.33245885760139e-002 1488501 CC(=O)NC1=NC(=NC=C1)C2=CN=CC=C2 1 0.18 4 1 0 -3.36386899857161 1488498 C1=CC(=CN=C1)C2=NC=CC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)Cl 1 3.173 4 1 -2.81062542816783 1488497 C1=CC(=CN=C1)C2=NC=CC(=N2)NC(=O)C3=CC=C(C=C3)Cl 1 2.508 4 1 -2.26389114617595 1488491 CNC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)OC)C(F)(F)F 1 3.426 4 2 -4.77702809359238 1488490 COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F 1 3.847 3 3 -0.342515453185176 1488444 C1=CC(=C(C=C1Cl)S(=O)(=O)NC2=NC(=CS2)C3=C(C=CS3)Cl)Cl 1 5.208 2 2 0.753560741392174 1488442 C1=CC(=CN=C1)C2=NC(=CS2)C3=C(C=CS3)Cl 1 3.624 2 0 2.69628860154646 1488440 C1=CC(=CC=C1NC(=O)NC2=NC(=CS2)C3=C(C=CS3)Br)Cl 1 4.833 3 1 0.945090915144852 1488438 C1=CN=CC=C1C2=NC(=CS2)C3=C(C=CS3)Br 1 3.708 2 0 5.22856654207665 1488436 COC1=CC=C(C=C1)C2=C(C(=C3N2CS(=O)(=O)C3)C(=O)OC)C(=O)OC 1 2.045 1 7 0 -5.46136327823318 1488435 COC1=CC=C(C=C1)C2=C(C(=C3N2CS(=O)C3)C(=O)OC)C(=O)OC 1 1.949 1 6 0 -3.79297679806278 1488432 CC1=CC=CC(=C1)C2=C(C(=C3N2CS(=O)(=O)C3)C(=O)OC)C(=O)OC 1 2.548 1 6 0 -2.68473690306439 1488431 CC1=CC=CC(=C1)C2=C(C(=C3N2CS(=O)C3)C(=O)OC)C(=O)OC 1 2.452 1 5 -1.01635042289399 1488430 COC(=O)C1=C2CS(=O)(=O)CN2C(=C1C(=O)OC)C3=CC=C(C=C3)F 1 2.267 1 6 0 -4.50529289253322 1488429 COC(=O)C1=C2CS(=O)CN2C(=C1C(=O)OC)C3=CC=C(C=C3)F 1 2.171 1 5 -2.83690641236282 1488426 COC(=O)C1=C2CS(=O)(=O)CN2C(=C1C(=O)OC)C3=CC=CC=C3 1 2.062 1 6 0 -5.69168633431368 1488425 COC(=O)C1=C2CS(=O)CN2C(=C1C(=O)OC)C3=CC=CC=C3 1 1.965 1 5 0 -4.02329985414328 1488423 COC(=O)C1=C2CSCN2C(=C1C(=O)OC)C3=CC=C(C=C3)F 1 3.283 1 4 -2.29833857970186 1488418 CCCN1C(=O)C=C(N=C1SCC(=O)OCC)C(F)(F)F 1 2.76 2 3 -15.5170787825841 1488408 CCOC(=O)CSC1=NC(=CC(=O)N1CC=C)C(F)(F)F 1 2.505 2 3 -19.8135302276696 1488406 CN(C)C1=C(C=CC=N1)C2=NC3=CC=CC=C3S2 1 3.389 3 0 3.28454270657149 1488402 CCOC(=O)CN1C2=CC=CC=C2N=C1C3=CN=C(C=C3)Cl 1 3.255 3 2 -4.47398649445482 1488397 CCOC1=C(C(=CC(=N1)C)C)S(=O)(=O)C2=CC=CC(=C2)C 1 3.908 1 3 -7.11726584587157 1488396 CCOC1=C(C(=CC(=N1)C)C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 4.086 1 3 -5.46799923837919 1488395 CC1=CC(=CC(=C1OC(=O)N(C)C)C)C(=O)CS(=O)C2=CC=C(C=C2)F 1 3.663 1 4 -0.471462511791361 1488393 CC1=CC(=CC(=C1OC(=O)N(C)C)C)C(=O)CS(=O)(=O)C2=CC=C(C=C2)F 1 3.759 1 5 -8.24610601560588 1488390 C1=CC=C2C(=C1)NC(=N2)C3=CN=C(C=C3)Cl 1 2.993 3 0 4.50579968980153 1488389 CC1=CC(=CC=C1)S(=O)(=O)C2=C(N=C(C=C2C)C)Cl 1 3.91 1 2 -3.95883475174234 1488388 CC1=CC(=NC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)OC)C 1 3.737 1 3 -4.64380931984195 1488386 CCOC1=C(C(=CC(=N1)C)C)S(=O)(=O)C2=CC(=CC=C2)Cl 1 4.086 1 3 -6.30261852688344 1488385 CC1=CC(=NC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl)C 1 4.088 1 2 -3.12569714576844 1488384 CC1=CC(=NC(=C1S(=O)(=O)C2=CC(=CC=C2)Cl)Cl)C 1 4.088 1 2 -3.9603164342727 1488380 CC1=C(SC(=C1C2=CC=CC=C2)C#N)C3=NC=NN3 1 3.643 4 0 -0.634712937422871 1488378 CN(C)C1=NN(C(=N1)N(C)C)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 2.036 5 2 0 -1.75946245920945 1488376 CC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2CC[N+](=O)[O-] 1 3.375 3 3 -5.83843261583766 1488374 CN1CCN(CC1)C(=O)NC2=CC=CC=C2CC[N+](=O)[O-] 1 1.475 4 3 0 -4.95511259296577 1488372 CN(C)C(=O)NC1=CC=CC=C1CC[N+](=O)[O-] 1 1.518 3 3 0 -4.00005717294222 1488368 C1CN(CCN1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3CC[N+](=O)[O-] 1 3.147 4 3 0 -3.87188763156957 1488359 CC1=C(C(=NN1C)C)CS(=O)(=O)C2=CC=CC=C2 1 2.017 2 2 -5.7535506429979 1488344 CN(C)C1=NC=C(C(=N1)C2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl 1 5.157 3 2 -0.84661585527852 1488343 C1=CC=C(C=C1)C2=NC(=NC=C2S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CN=CC=C4 1 4.234 3 2 -0.513425286096762 1488342 CC1=NC=C(C(=N1)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3 1 3.72 2 2 -2.71191466496331 1488341 CN(C)/C=C(/C(=O)C1=C(C=C(C=C1)Cl)Cl)\S(=O)(=O)C2=CC=C(C=C2)Cl 1 4.524 1 3 -0.760515388552691 1488337 COC1=CC=C(C=C1)C2=NC(=NC=C2S(=O)(=O)C)C3=CC=CC=N3 1 2.405 3 3 2.75580154518719 1488336 COC1=CC=C(C=C1)C2=NC(=NC=C2S(=O)(=O)C)C3=CC=CC=C3 1 3.127 2 3 2.88621984054696 1488335 CN(C1=CC=CC=C1)C(=O)CS(=O)(=O)CC2=CC=CC=C2Cl 1 2.869 1 3 -5.86796687468909 1488323 C=CCN1C(=CC=C(C1=O)C#N)C2=CC=C(C=C2)Cl 1 2.75 2 1 -6.28851136471813 1488322 CN1C(=CC=C(C1=O)C#N)C2=CC=C(C=C2)Cl 1 2.134 2 1 -1.70544530596478 1488312 C#CCN1C(=CC=C(C1=O)C#N)C2=CC=CC=C2 1 2.661 2 1 -6.8094001634545 1488311 CCN1C(=CC=C(C1=O)C#N)C2=CC=CC=C2 1 1.818 2 1 0 -3.84476156237253 1488306 C=CCN1C(=CC=C(C1=O)C#N)C2=CC=CC=C2 1 2.086 2 1 -8.58502647162014 1488301 CCOC(=O)CN1C(=CC=C(C1=O)C#N)C2=CC=CC=C2 1 1.525 2 3 0 -8.77529549901563 1488278 COC1=CC=C(C=C1)N2C(=NN=N2)C3=C(C=C(C=C3)S(=O)(=O)C)Cl 1 2.815 4 3 0 -10.7774126950422 1488269 COC1=CC=C(C=C1)C2=NN=NN2C3=C(C=C(C=C3)F)F 1 3.036 4 1 -4.91077409907741 1488253 CC1=NC=C(C(=N1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.72 2 2 -0.388829946496524 1488252 CN(C)C1=NC=C(C(=N1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.828 3 2 -1.45658400180645 1488248 CN(C1=CC=CC=C1)C(=O)CS(=O)(=O)C2=CC(=CC=C2)Cl 1 2.862 1 3 -8.10948742625009 1488244 CC1=CC2=C(C=C1)C(=O)OC(=N2)N(C)C 1 2.164 2 2 -2.38904861148551 1488243 CN(C)/C=C(/C(=O)C1=CC=CC=C1)\S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.195 1 3 -4.57586369585073 1488239 CS(=O)(=O)C1=CN=C(N=C1N)C2=CN=CC=C2 1 -0.161 4 2 0 -3.12368227009303 1488235 C1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)C4=CN=CC=C4 1 4.899 3 2 1.06784223374326 1488233 C1=CC=C(C=C1)C2=NC(=NC=C2S(=O)(=O)C3=CC=CC=C3)C4=CN=CC=C4 1 3.57 3 2 -3.52446507796798 1488228 C1=CC(=CC(=C1)S(=O)CC(=O)NC2=C(C=C(C=C2)Cl)Cl)C(F)(F)F 1 4.167 1 2 4.49409901596084 1488223 COC1=CC=C(C=C1)S(=O)CC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 3.208 1 3 0.646018914967723 1488221 CN(C)C1=NC=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2 1 0.261 3 3 0 -11.0080025515583 1488217 CC1=NC=C(C(=N1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.056 2 2 -3.39986973836774 1488216 CC1=NC=C(C(=N1)C2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC=C3 1 4.385 2 2 -0.507555866647881 1488211 CN(C)C1=NC=C(C(=N1)C2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC=C3 1 4.492 3 2 -1.5753099219578 1488207 C1=CC(=CC(=C1)SCC(=O)NC2=C(C=C(C=C2)Cl)Cl)C(F)(F)F 1 5.279 1 1 -0.718755874547768 1488204 C1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2C3=CC(=C(C=C3)Cl)Cl)C4=CN=CC=C4 1 4.899 3 2 -0.774871275943554 1488194 CN(C)C1=NC=C(C(=N1)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3 1 3.828 3 2 -3.77966872027323 1488190 CN(C)/C=C(/C(=O)C1=C(C=C(C=C1)Cl)Cl)\S(=O)(=O)C2=CC=CC=C2 1 3.86 1 3 -1.48920945523197 1488188 CN(C)C1=NC=C(C(=N1)N)S(=O)(=O)C2=CC=CC=C2 1 1.009 4 2 0 -8.38679880886669 1488185 C1=CC=C(C(=C1)NC(=O)CS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)Cl 1 3.599 1 3 -5.68138032449472 1488183 C1=CC=C(C(=C1)NC(=O)CS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)Cl 1 3.985 1 3 -9.06262503433597 1488171 CNC1=CC(=NC(=N1)SC)Cl 1 2.335 3 0 -3.48055645001792 1488170 CCNC1=NC(=NC(=C1)N2CCOCC2)SC 1 1.727 4 1 0 -3.69760940854666 1488168 CC(C)(C)C1=C(SC(=N1)N)C(=O)OC 1 2.056 2 2 -1.08803266587606 1488163 CC1=CSC(=C1NC(=O)NC2=CC=CC=C2)C(=O)OC 1 2.817 2 3 -5.57651773274464 1488161 CC(C)(C)C1=C(SC(=N1)NC(=O)NC2=CC=CC=C2)Br 1 3.917 3 1 -2.27217587069881 1488148 CSC1=NC(=CC(=N1)Cl)NC2=CC=C(C=C2)O 1 3.834 3 1 3.86225797579643 1488141 CC1=CC=C(O1)CNC(=O)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NCC3=CC=C(O3)C 1 2.963 3 4 0 -2.72234086148574 1488137 CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)NNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 2.286 5 3 0 -5.64709312095304 1488136 CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)NNS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.252 5 3 0 -7.28818907168774 1488132 CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)C 1 1.802 2 1 0 -2.23538422146298 1488127 CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)NN=CC3=CC=CC=C3 1 2.452 5 1 -6.03383192823938 1488117 CC(C)NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2 1 2.782 3 1 -9.51490976989673 1488116 CCNC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2 1 2.405 3 1 -5.53818677219205 1488112 CC1=CC(=NC(=C1C#N)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C 1 1.795 5 3 0 -22.5840764307149 1488109 CC1=CC(=NC(=C1C#N)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C 1 2.619 4 2 -18.1584692392811 1488106 CC1=CC=CC2=C1N=C(C=C2C)N3CCN(CC3)C4=NC=CC=N4 1 2.821 5 0 5.52976183113053 1488103 CC1=CC=CC2=C1N=C(C=C2C)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 3.654 3 2 -11.4191810408452 1488098 CN1C=C(C(=N1)C(F)(F)F)C(=O)NNC(=O)C2=CC=CS2 1 1.845 4 2 0 -4.4801738225093 1488097 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CN(N=C2C(F)(F)F)C 1 2.378 4 2 -2.44362495789511 1488096 CN1C=C(C(=N1)C(F)(F)F)C(=O)NNC(=O)C2=CC=CC=C2 1 1.892 4 2 0 -3.23927252540446 1488089 C1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)SCC3=CC=C(C=C3)Cl)C#N)N 1 5.234 2 1 -6.80129391215759 1488088 C1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)SCC3=CC(=CC=C3)Cl)C#N)N 1 5.234 2 1 -6.96146521139562 1488087 CC1=CC=C(C=C1)CSC2=C(C(=C(S2)C(=O)C3=CC=CC=C3)N)C#N 1 5.055 2 1 -8.62329260274441 1488072 C1=CC=C(C=C1)CSC2=C(C(=C(S2)C(=O)C3=CC=CC=C3)N)C#N 1 4.569 2 1 -9.73113896957225 1488070 CC(C)(C)C1=CC2=C(N1CC3=CC(=CC=C3)Cl)N=CC=C2 1 5.317 2 0 -1.64530178677252 1488065 CC(C)(C)C1=CC2=C(N1CC3=CC(=CC=C3)F)N=CC=C2 1 4.858 2 0 -2.20014391027398 1488063 CC1=CC(=CC=C1)CN2C(=CC3=C2N=CC=C3)C(C)(C)C 1 5.139 2 0 -2.81274472305013 1488053 CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2CCCC3=O 1 3.158 1 3 -6.32778154575573 1488036 COC1=CC=CC2=C1OC(=C2)C(=O)N 1 1.41 1 3 0 0.66683327493536 1488028 CCOC(=O)COC1=CC2=C(C=C1)C(=C3N2C=CC=C3)C#N 1 2.78 2 3 -10.5603304479646 1488027 C1=CC2=C(C3=C(N2C=C1)C=C(C=C3)OCC(=O)N)C#N 1 1.578 3 2 0 -7.45243408491699 1488016 COC1=C(C2=CC=CC=C2C=C1)S(=O)NC3CC3 1 2.524 1 2 1.65540762099636 1487988 CC1=NN(C(=S)N1C2=CC=C(C=C2)Cl)C 1 2.884 3 0 0.210145328983518 1487986 CN1C(=S)N(C=N1)C2=CC=C(C=C2)Cl 1 2.805 3 0 0.611713446945246 1487983 CN1C(=S)N(C=N1)C2=CC=CC=C2 1 2.141 3 0 -1.47158843878381 1487975 CN1CCN(CC1)C2=NC(=NC=C2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 2.812 4 2 0.790418449460767 1487974 CN(C)C1=NC(=NC=C1S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.855 3 2 -5.30972421511933 1487970 C1CCN(CC1)C2=NC(=NC=C2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 3.772 3 2 -2.18898694655289 1487968 CC1=C(C=CC(=C1)Cl)OC2=NC(=NC=C2S(=O)(=O)C)C3=CC=CC=C3 1 4.447 2 3 5.22737855341013 1487965 CS(=O)(=O)C1=CN=C(N=C1SC2=CC=C(C=C2)F)C3=CC=CC=C3 1 4.06 2 2 1.31645986203187 1487964 CC1=CC=C(C=C1)OC2=NC(=NC=C2S(=O)(=O)C)C3=CC=CC=C3 1 3.782 2 3 3.06986987427026 1487963 CS(=O)(=O)C1=CN=C(N=C1OC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.96 2 3 4.89186856485707 1487960 COC1=CC(=CC=C1)SC2=NC(=NC=C2S(=O)(=O)C)C3=CC=CC=C3 1 3.838 2 3 -0.693210676241598 1487959 CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N3CCCCC3)C4=CC=CC=C4 1 4.258 3 2 -0.999945845268491 1487952 CSC1=NN2C(=CC=NC2=N1)C3=CC=C(C=C3)Cl 1 3.914 4 0 1.6970779156141 1487943 CN(C)C1=NN=C(O1)C2=CC=C(C=C2)Cl 1 1.877 3 1 0 4.1816103199319 1487938 CC(C)(C)S(=O)(=O)C(=NNC1=CC=C(C=C1)S(=O)(=O)C)C#N 1 1.904 3 4 0 -8.82384268958056 1487911 CC1=NC(=NC=C1C(=O)NC2=CC=CC=C2)N 1 0.893 4 1 0 -4.60651280215401 1487908 C1=CC=C2C(=C1)C(=CN(C2=O)CC3=CC=CC=N3)C(=O)O 1 1.17 2 3 0 -7.53947876630961 1487898 C1=CC=C2C(=C1)C(=CN(C2=O)CC3=CN=CC=C3)C(=O)O 1 0.955 2 3 0 -6.69866979816816 1487897 COC(CC1=NNC(=S)N1C2=CC=C(C=C2)Cl)OC 1 2.732 3 2 -6.35416738608982 1487882 CN(C)C(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3 1 1.883 2 2 0 -12.4300087748439 1487881 CNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl 1 2.341 2 2 -13.3629808865479 1487880 CNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3 1 1.677 2 2 0 -15.6146957692894 1487879 CN(C)C(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl 1 2.547 2 2 -10.1782938921025 1487878 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3 1 2.324 1 3 -12.072096400265 1487869 C1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)O 1 2.099 1 3 -10.9837218741773 1487862 C1CN(NC1=O)C(=O)CSC2=CC=CC=C2 1 0.74 2 2 0 -6.74870963617171 1487858 C1CN(NC1=O)C(=O)C2=CC=C(C=C2)Cl 1 1.011 2 2 0 -3.74303865097443 1487857 C1CN(NC1=O)C(=O)CSC2=CC=C(C=C2)Cl 1 1.405 2 2 0 -4.00354572026878 1487856 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N2 1 0.536 2 3 0 -9.3351432850023 1487855 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N2 1 3.4e-002 2 4 0 -9.74810949414644 1487854 C1CN(NC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl 1 0.714 2 3 0 -7.51314459441548 1487853 C1CN(NC1=O)S(=O)(=O)C2=CC=CC=C2 1 5.e-002 2 3 0 -10.2311529242385 1487852 C1CCN2C(=NN=C2C3=CC=C(C=C3)Cl)C1 1 2.961 3 0 -0.535107929936949 1487846 CC(=O)CC(=O)C1C(=O)N(C(=O)N(C1=O)C)C 1 -1.018 2 5 0 -7.50662485185734 1487833 CC1=CC=C(C=C1)NC(=O)N2C=CC(=N2)C3=CC=C(C=C3)N4C=CN=C4 1 3.939 5 1 1.7884045409376 1487830 C1=CC=C(C=C1)NC(=O)N2C=CC(=N2)C3=CC=C(C=C3)N4C=CN=C4 1 3.453 5 1 1.63175040256425 1487824 CC1=C(C(=NC(=N1)N)NC2=CC=C(C=C2)Cl)Br 1 2.973 4 0 3.32762472258819 1487755 C1=CC(=CC=C1N2C=NN(C2=O)CC(=O)O)OC(F)(F)F 1 2.72 3 4 0 -5.95415631740732 1487778 C1=CC=C2C(=C1)C=CC(=N2)C3=C(C=CS3)Cl 1 4.581 1 0 0.914896826431386 1487780 C1=CN(N=C1)C2=CN=CC(=N2)N3C=CC=N3 1 1.059 6 0 0 1.20133665124078 1487813 COC1=C(C=CC(=C1)C=O)OCC2=CN=C(C=C2)Cl 1 2.863 1 3 -6.55056234180591 1487802 CCOC(=O)CN1C(=O)N(C(=N1)C)C2=CC=C(C=C2)Br 1 2.002 3 3 -8.50821172100775 1487801 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C3=NN=C(N3C)SCC4=CC=C(C=C4)F 1 5.365 6 0 -7.17466172696813 1487800 COC1=CC2=C(C=C1)NC=C2CCN3C=CC(=O)C(=C3O)CC(=O)OC 1 2.356 2 5 0 -5.85669953511571 1487797 CC1=NNC(=O)N1C2=CC=C(C=C2)OC(F)(F)F 1 3.112 3 2 -2.83495539401261 1487796 CCOC(=O)CN1C(=O)N(C(=N1)C)C2=CC=C(C=C2)C(C)(C)C 1 2.654 3 3 -6.29541651738182 1487790 CC1=CC(=NC(=N1)N2C=C(N=N2)C3=CC=CC=C3)C(F)(F)F 1 3.931 5 0 2.78611647872005 1487781 CC1=NNC(=O)N1C2=CC=C(C=C2)C(C)(C)C 1 2.392 3 1 -2.94822389244753 1487745 CC(=NO)C1=CC(=CC=C1)N2CC3=CC=CC=C3C2 1 3.136 2 1 1.4131581494702 1487744 CN1CCN(CC1)CCC2=CN3C(=C(C=N3)C#N)N=C2C4=CC=C(C=C4)F 1 2.486 6 0 6.15934694073373 1487741 CN1CCN(CC1)CCC2=CN3C(=NC(=N3)SC)N=C2C4=CC=C(C=C4)F 1 3.808 6 0 7.07420579451661 1487737 CCOC(=O)C1=C(N=C(C=C1)C2=CC3=C(CCC3)C=C2)C 1 4.17 1 2 -3.33151627040436 1487735 COC(=O)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3 1 3.627 1 4 -4.39697045361798 1487727 C1COCCN1C2=NC(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/N2 1 0.658 3 4 0 -10.6719416509637 1487713 CC(=O)C1=C(C=C(C=C1)OCC2=CC(=CC=C2)C(F)(F)F)O 1 3.837 0 3 3.09821352505031 1487706 CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=O)N2)CCO)C 1 0.627 2 4 0 -8.53881937317516 1487695 CC1=C(C(=O)NN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCO 1 3.5e-002 3 6 0 -11.7921592544531 1487690 C1COCCN1CCC2=CN3C(=C(C=N3)C#N)N=C2C4=CC=C(C=C4)F 1 2.216 5 1 1.76636563945682 1487688 CCOC(=O)CCC1=C(NC(=NC1=O)N2C(=O)C(=C(N2)C)CCO)C 1 -5.9e-002 4 5 0 -14.8215817069295 1487676 CC1=C(C(=O)N(N1)C2=CC=CC=C2)CCOC(=O)C3=CC=C(C=C3)C(F)(F)F 1 3.675 2 3 -3.50487971616584 1487669 C1=CC(=CC(=C1)C(F)(F)F)COC2=CC(=C(C=C2)C=O)O 1 3.856 0 3 6.2091696000611 1487658 C1CCN(CC1)C(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4 1 4.244 2 1 -9.4576969472277 1487647 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)NC3=CC=CC=C3OC4=CC=CC=C4 1 5.343 4 2 -8.43666596726142 1487644 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)NC3=CN=CC=C3 1 2.632 5 1 -7.83517712011597 1487639 C1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)C3=CC=C(C=C3)F 1 3.149 3 1 3.28713670584454 1487628 CCC1=NN2C=CC(=C(C2=N1)C#N)C3=CC=C(C=C3)Cl 1 3.309 4 0 -0.146114789989514 1487620 CS(=O)(=O)C1=CN=C(N=C1OC2=CC=C(C=C2)F)C3=CC=CC=C3 1 3.502 2 3 3.78174689973551 1487619 CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2OC3=CC=CC=C3)C4=CC=CC=C4 1 5.359 2 3 0.898964606456475 1487616 C1COCCN1CC(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=C3 1 2.357 3 2 -9.10026154990594 1487613 C1=CC=C2C=C(C=CC2=C1)OC3=NC=CC(=N3)C4=CC=C(C=C4)Cl 1 5.652 2 1 7.96428618068142 1487612 C1=CC(=CC=C1C2=NC(=NC=C2)OC3=CC=C(C=C3)F)Cl 1 4.949 2 1 5.82340295640069 1487611 COC1=CC=C(C=C1)OC2=NC=CC(=N2)C3=CC=C(C=C3)Cl 1 4.727 2 2 4.55328315059174 1487610 CC1=CC=C(C=C1)OC2=NC=CC(=N2)C3=CC=C(C=C3)Cl 1 5.23 2 1 5.11152593093544 1487609 C1=CC(=CC=C1C2=NC(=NC=C2)OC3=C(C=CC(=C3)Cl)Cl)Cl 1 6.072 2 1 3.60044786406614 1487603 C1CSC2=C(C=CS2)C(=O)N1CC3=CC(=CC=C3)F 1 3.179 1 1 -2.5339638422283 1487602 COC1=CC=C(C=C1)CN2CCSC3=C(C2=O)C=CS3 1 2.958 1 2 -4.38970912210747 1487600 CC1=CC=C(C=C1)CN2CCSC3=C(C2=O)C=CS3 1 3.46 1 1 -3.97674291296333 1487599 C1CSC2=C(C=CS2)C(=O)N1CC3=C(C=C(C=C3)Cl)Cl 1 4.303 1 1 -1.62548923377821 1487598 C1CSC2=C(C=CS2)C(=O)N1CC3=CC=CC=C3 1 2.974 1 1 -4.79155781774292 1487597 C1=CC(=C(C(=C1)Cl)CS(=O)(=O)C2=NC=NN2)F 1 2.111 3 2 -9.04488079133835 1487595 C1CSC2=C(C=CS2)C(=O)N1CC3=CC=C(C=C3)Cl 1 3.638 1 1 -2.15474422237651 1487594 COC1=CC=C(C=C1)CS(=O)(=O)C2=NC=NN2 1 1.224 3 3 0 -10.6393912035912 1487593 C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)C2=NC=NN2 1 2.183 3 2 -5.41258397058145 1487590 C1=CC(=CC=C1CSC2=NC(=O)C3=C(N2)C=CS3)Cl 1 4.232 2 1 -8.40944105383669 1487589 CC(C)SC1=NC(=O)C2=C(N1)C=CS2 1 2.71 2 1 -8.09632786207013 1487587 CC1=CC=C(C=C1)S(=O)(=O)C2=NC(=NC(=C2)N3CCOCC3)C4=CC=CC=C4 1 4.188 3 3 -2.63889208919757 1487580 CN(C)/C=C/C(=O)C1=CC(=CC=C1)OC2=NC=CC=N2 1 2.027 3 2 -2.21325322467075 1487571 CC1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=CC=C(C=C2)C 1 3.232 1 2 7.55018435155628 1487563 CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCC2=CC=C(C=C2)F 1 2.958 1 2 5.70524551470429 1487555 CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-] 1 4.54 1 5 -1.50519994101476 1487543 CS(=O)(=O)NC1=CC=C(C=C1)OC2=NC=CC=N2 1 1.043 3 3 0 -4.38194058005079 1487538 COC1=CC=CC(=C1)CNS(=O)(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.018 1 5 2.76502961235502 1487536 COC1=C(C=C(C=C1)/C=C/S(=O)(=O)NCC2=CC(=CC=C2)OC)OC 1 2.217 1 5 0.319918079645953 1487531 CC(=O)NC1=CC=C(C=C1)OC2=NC=CC=N2 1 1.252 3 2 0 -5.21344620171108 1487521 C=CCN1C(=NNC1=S)CNS(=O)(=O)C2=CC=C(C=C2)F 1 1.687 4 2 0 -12.0218617408357 1487507 C1=CC(=CC(=C1)Cl)CONC(=O)N 1 1.257 2 2 0 2.59965530391968 1487504 CC1=CC(=NN1)C2=CC=C(C=C2)Br 1 3.114 2 0 2.54991019124281 1487494 COC1=C(C(=O)N(N=C1)C2=CC=C(C=C2)F)Br 1 1.823 2 2 0 -1.61883365017946 1487493 CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)OC)Br 1 2.104 2 2 -2.33071067564471 1487487 CCOC1=C(C=NN(C1=O)C2=CC=C(C=C2)C)Cl 1 2.369 2 2 0.413812177798707 1487485 CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Br)Br 1 2.869 2 1 -1.2835251441718 1487480 CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)OC)Cl 1 2.02 2 2 -1.14659949885375 1487479 CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)OC 1 2.02 2 2 0.809077762102484 1487477 COC1=C(C=NN(C1=O)C2=CC(=C(C=C2)Cl)Cl)Cl 1 2.863 2 2 0.436575783526754 1487474 COC1=CC=C(C=C1)OC2=NC=CC(=C2C#N)C3=CC=CC=C3 1 4.159 2 2 -1.02238912769049 1487469 C1COCCN1C2=NC=CC(=C2C#N)C3=CC=C(C=C3)Cl 1 2.51 3 1 -1.19018084081879 1487468 CNC1=NC=CC(=C1C#N)C2=CC=C(C=C2)Cl 1 2.616 3 0 -2.05077981160313 1487467 COC(=O)CN1C=CC(=C(C1=O)C#N)C2=CC=C(C=C2)Cl 1 1.571 2 3 0 -5.07153912497068 1487464 CC1=CC(=CC=C1)CN2C=CC(=C(C2=O)C#N)C3=CC=C(C=C3)Cl 1 3.933 2 1 1.72519923359115 1487463 CC1=CC=CC=C1CN2C=CC(=C(C2=O)C#N)C3=CC=C(C=C3)Cl 1 3.933 2 1 -1.09923496281645 1487460 C1COCCN1C2=NC=CC(=C2C#N)C3=CC=CC=C3 1 1.845 3 1 0 -3.48669594772081 1487454 CCOC(=O)CN1C=CC(=C(C1=O)C#N)C2=CC=CC=C2 1 1.255 2 3 0 -7.71112330118684 1487453 CCN1C=CC(=C(C1=O)C#N)C2=CC=CC=C2 1 1.548 2 1 0 -3.51286555301664 1487451 C1=CC=C(C=C1)C2=C(C(=O)N(C=C2)CC3=CC(=CC=C3)Cl)C#N 1 3.447 2 1 0.498732836441967 1487450 C1=CC=C(C=C1)C2=C(C(=O)N(C=C2)CC3=CC=CC=C3Cl)C#N 1 3.447 2 1 -2.5732978943406 1487448 C1=CC=C(C=C1)C2=C(C(=O)N(C=C2)CC3=CC=C(C=C3)Cl)C#N 1 3.447 2 1 0.420504559317077 1487437 CC1=C2C(=NN(C(=O)C2=NO1)CC=C)C3=CC=CC=C3 1 2.349 3 2 -7.11687464246503 1487434 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(C=C2C)C)N3CCOCC3 1 3.425 2 3 -6.13895449771788 1487433 COC1=C(C(=NC=C1)NCC2=CC(=CC=C2)C(F)(F)F)C#N 1 2.943 3 1 -2.92719733265661 1487431 COC1=C(C(=NC=C1)NCC2=CN=CC=C2)C#N 1 0.85 4 1 0 -8.55761947814734 1487355 COC1=[N+](C=C(C=C1)NC(=O)C2=CC=C(C=C2)Cl)[O-] 1 1.807 2 3 0 -2.75708511428562 1487353 C1=CC(=CC(=C1)C(F)(F)F)C2=NC3=C(C=C(C=C3)Br)C(=O)N2O 1 4.197 2 2 11.2904037782518 1487352 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2O 1 3.254 2 2 6.50812670755355 1487349 C1=CC(=CC=C1C#N)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2O 1 3.049 3 2 3.98095605930798 1487346 C1=CC=C(C(=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2O)C(=O)O 1 2.8 2 4 0.311649544990975 1487343 C1=CC(=CC=C1C2=NC3=C(C=CC(=C3)Cl)C(=O)N2O)[N+](=O)[O-] 1 3.065 3 4 0 4.51229742162143 1487341 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)C#N)O 1 2.385 3 2 0.9658767332402 1487340 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=C(C=C(C=C3)Cl)Cl)O 1 3.835 2 2 3.97581262160003 1487339 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CC=C3Cl)O 1 3.17 2 2 1.49114192923142 1487338 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2O 1 2.489 2 3 3.17864967376674 1487337 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2O 1 2.992 2 2 3.59161588291088 1487336 CCC1=CC=CC=C1S(=O)(=O)C2=C(N=C(C=C2C)C)Cl 1 4.366 1 2 -4.42404476982475 1487322 CC1=CC(=C(C=C1)C)S(=O)(=O)C2=C(N=C(C=C2C)C)Cl 1 4.396 1 2 -3.12331871455487 1487319 CCN1C2=C(C=C(C(=C2)C)C)N=C1C3=C(N=CC=C3)Cl 1 4.52 3 0 1.84976301387068 1487318 CC1=CC(=C(C=C1)C)S(=O)(=O)C2=C(C=C(NC2=O)C)C 1 2.415 1 3 -12.5466745546155 1487311 CC1=CC(=C(C=C1)S(=O)(=O)C2=C(N=C(C=C2C)C)Cl)C 1 4.396 1 2 -2.07535464138781 1487309 C1=CC(=CC(=C1)C(F)(F)F)C2=C(NC(=CC2=O)O)Cl 1 3.225 1 2 5.3472470547157 1487308 CC1=CC(=C(C=C1)S(=O)(=O)C2=C(C=C(NC2=O)C)C)C 1 2.415 1 3 -11.4987104814485 1487305 CC1=C(C(=C(C=C1)Cl)C)S(=O)(=O)C2=C(C=C(NC2=O)C)C 1 3.08 1 3 -10.4035170139493 1487304 CC1=CC=CC=C1S(=O)(=O)C2=C(N=C(C=C2C)C)SCC(C)C 1 5.309 1 2 -10.9800550321374 1487303 COC(=O)C1=CC(=CC=C1)N/C=C(\[N+](=O)[O-])/S(=O)(=O)C2=CC=CC=C2 1 2.79 2 6 0 -9.43786772436346 1487302 CC1=CC(=CC=C1)N/C=C(\[N+](=O)[O-])/S(=O)(=O)C2=CC=CC=C2 1 3.421 2 4 -3.18718502082242 1487294 CN(C1=NC2=CC=CC=C2N=C1C(F)(F)F)N 1 2.048 4 0 0.772190994541896 1487293 C1=CC=C2C(=C1)N=C(C(=N2)NN)C(F)(F)F 1 1.842 4 0 0 3.89362956033271 1487292 CC1=C(C(=CC=C1)N/C=C(\[N+](=O)[O-])/S(=O)(=O)C2=CC=CC=C2)C 1 3.907 2 4 -3.31125663000414 1487291 COC1=CC=C(C=C1)N/C=C(\[N+](=O)[O-])/S(=O)(=O)C2=CC=CC=C2 1 2.918 2 5 0 -5.0077442476422 1487286 CC1=CC=C(C=C1)N/C=C(\[N+](=O)[O-])/S(=O)(=O)C2=CC=CC=C2 1 3.421 2 4 -4.59477803849806 1487278 CC(C)(CNS(=O)(=O)C)SCC1=CC=C(C=C1)Cl 1 2.608 1 2 -5.11289046231416 1487271 C1=CC(=C(C=C1NC(=O)CC(=O)O)Cl)OC2=NC=C(C=C2)C(F)(F)F 1 3.316 2 4 -1.53157180893638 1487260 CN(C)/C=C/C(=O)C1=C(C=CS1)Cl 1 2.342 1 1 -3.27020029305354 1487243 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N(CC=C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 5.028 3 2 -2.65108288060956 1487239 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 4.205 3 2 1.58869265072668 1487238 CN(C)/C=C/C(=O)C1=CC2=C(ON=C2C=C1)C3=CC=C(C=C3)F 1 3.53 2 2 4.40734572661949 1487233 C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)NC3=CC(=C(C=C3)F)F)C4=CC=CC=C4 1 4.813 3 1 3.95184829729118 1487228 C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)NC3=CC=CC=C3)C4=CC=CC=C4 1 4.402 3 1 2.66632350799164 1487226 C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 5.067 3 1 4.93800779900005 1487225 C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4 1 4.608 3 1 3.82788613387848 1487224 C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)O)C3=CC=CC=C3 1 3.248 2 2 4.28549919589987 1487223 CCOC(=O)C1=CN=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3 1 3.822 2 2 2.15110549790034 1487222 COC1=CN=C(N=C1SC2=CC=CC=C2)C3=CC=CC=N3 1 3.59 3 1 3.42746645610607 1487221 COC1=CN=C(N=C1SC2=CC=C(C=C2)F)C3=CC=CC=N3 1 3.795 3 1 5.23092170389984 1487220 COC1=CC=C(C=C1)SC2=NC(=NC=C2OC)C3=CC=CC=N3 1 3.573 3 2 4.27485131819988 1487215 CN1CCN(CC1)CC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O 1 4.118 2 1 5.5755062470504 1487214 COC1=CN=C(N=C1SC2=CC=C(C=C2)Cl)C3=CC=CC=N3 1 4.254 3 1 6.34104336902141 1487210 CC(C)NCC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O 1 4.351 1 1 0.941122964657313 1487209 CC(C)(C)NCC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O 1 4.556 1 1 -0.36205979683501 1487202 COC1=C(C=C(C=C1)CNCC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O)OC 1 5.176 1 3 -2.61578797576641 1487201 COC1=CC=CC=C1CNCC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O 1 5.192 1 2 0.956131005078691 1487199 COC1=CC=C(C=C1)CNCC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O 1 5.192 1 2 1.68612645500616 1487198 COC1=CC=CC(=C1)CNCC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O 1 5.192 1 2 1.67736531340066 1487192 COC1=C(C=C(C=C1)CNCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)OC 1 3.847 1 3 -5.21522699456737 1487187 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2CC[N+](=O)[O-] 1 2.964 2 4 -5.16572112494105 1487186 C1=C(SC(=C1)C(=O)N)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.514 2 1 3.37833818539759 1487180 CC(=O)C1=CC=C(S1)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.252 1 1 1.68428822646904 1487177 CN(C)/C=C/C(=O)C1=CC=C(C=C1)S(=O)C2=CC=CC=C2 1 2.731 1 2 1.22075136229381 1487167 CC(=O)C1=CC=C(C=C1)S(=O)C2=CC=CC=C2 1 2.576 0 2 -2.76745759883369 1487161 CN(C)C1=NN=NN1C2=CC=CC=C2OC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.356 6 1 0 -1.51015538248784 1487160 CN(C)C1=NN=NN1C2=CC(=CC=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.356 6 1 0 3.03334001176834 1487159 CN(C)C1=NN=NN1C2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.356 6 1 0 2.4748209031371 1487153 CN(C)C1=C(C(=NC=C1)NC2=CC=CC=C2)C#N 1 2.172 4 0 -4.71212464655166 1487150 CN(C)C1=C(C(=NC=C1)NC2=CC=CC=C2OC)C#N 1 2.156 4 1 -6.61316065162378 1487149 COC1=C(C(=NC=C1)OC2=CC=CC=C2)C(=O)N 1 1.764 2 3 0 -2.6325041014992 1487144 COC1=C(C(=NC=C1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C#N 1 3.194 4 1 4.26438694638523 1487137 CC1=CC(=CC=C1)NC2=NC=CC(=C2C#N)N(C)C 1 2.658 4 0 -2.27508370331659 1487136 CC1=CC=CC=C1NC2=NC=CC(=C2C#N)N(C)C 1 2.658 4 0 -5.21141707286081 1487126 CC1=CC=C(C=C1)C2=NNC3=C2CCC3 1 3.634 2 0 4.46222683761141 1487118 CC(C)(C#C)NC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)F)[N+](=O)[O-] 1 4.426 2 4 -7.64105605133083 1487117 CCC(C)(C)NC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)F)[N+](=O)[O-] 1 4.106 2 4 -8.73186179575119 1487108 CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C)C#N)C4=CC=C(C=C4)OC 1 4.005 5 1 11.0960249209132 1487107 CC1=CC=CC(=C1)C2=NC(=C(C(=N2)Cl)C#N)C3=CC=C(C=C3)OC 1 4.84 3 1 8.86710045971633 1487106 CC1=CC=CC(=C1)C2=NC(=O)C(=C(N2)C3=CC=C(C=C3)OC)C#N 1 2.974 3 2 -1.65424347261428 1487022 C1=CC=C(C(=C1)[N+](=O)[O-])OC2=C3C(=C(C=C2)Cl)C=CC=N3 1 4.135 2 3 0.229413199988734 1487021 CCOC(=O)C1=NN(C(=N1)C)C2=CC=C(C=C2)Cl 1 2.603 3 2 -0.189114511064905 1487018 CC1=CC(=C(C(=O)N1CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC=C3)C 1 4.561 1 3 -6.23612827372475 1487013 CNC(=O)C1=C(SN=N1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.903 3 3 0 -12.8062158603262 1487012 CC1=CC(=C(C(=O)N1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C 1 3.232 1 3 -8.90369957416903 1487008 CCOC(=O)C1=NN(C(=N1)C)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.833 4 4 0 -4.10551098900896 1487004 C1COCCN1C(=O)C2=C(SN=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.796 3 4 0 -13.8680963535569 1487002 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=CC=C3F)F 1 3.145 3 1 -3.62277614198151 1486994 CN(C)/C=C(\C#N)/S(=O)(=O)C1=CC=CC=C1 1 1.006 2 2 0 -6.51816859637134 1486987 CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC=CC=C2N3CCOCC3)Cl 1 2.655 2 4 -10.548466491383 1486985 C1COCCN1C(=O)C2=C(SN=N2)S(=O)C3=CC=C(C=C3)Cl 1 1.7 3 3 0 -6.5193195473785 1486984 CNC(=O)C1=C(SN=N1)S(=O)C2=CC=C(C=C2)Cl 1 1.807 3 2 0 -5.45743905414787 1486982 C1=CC=C(C=C1)NC(=O)C2=C(SN=N2)S(=O)C3=CC=C(C=C3)Cl 1 3.383 3 2 -3.6028043181963 1486976 C1=C(SC(=C1)S(=O)(=O)NN)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.558 3 2 2.80637808424046 1486955 COC1=CC=CC(=C1)N2C(=O)C=C(C(=N2)C#N)Cl 1 1.933 3 2 0 -2.2679504855547 1486951 COC1=CC=CC(=C1)N2C(=CC(=O)C(=N2)C(=O)N)O 1 1.243 3 4 0 -2.79410439376405 1486949 C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=CC(=O)C(=N3)C(=O)N)O 1 2.819 3 4 0 -0.404806861689672 1486948 COC(=O)C1=NN(C(=CC1=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 3.672 2 5 0 -1.48353606144098 1486944 COC1=CC=C(C=C1)C(=O)OC2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.447 2 3 -2.69952957794266 1486941 CN1C(=O)N=C(S1)NC(=O)C2=CC(=CC=C2)Cl 1 2.729 3 2 -3.37819837209582 1486940 CN1C(=O)N=C(S1)NC(=O)C2=CC=CC=C2Cl 1 2.729 3 2 -6.09618590591132 1486937 CC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(S2)C 1 2.551 3 2 -5.85111181624048 1486936 CN1C(=O)N=C(S1)NC(=O)C2=CC=C(C=C2)Cl 1 2.729 3 2 -4.02911312565366 1486935 CN1C(=O)N=C(S1)NC(=O)C2=CC=CC=C2 1 2.065 3 2 -6.64675938374983 1486931 C1[C@H]2CON([C@H]2C3=C(O1)C=CC4=CC=CC=C43)C(=S)N 1 2.404 2 2 0.722151993925474 1486928 C1=CC(=CC=C1CONS(=O)(=O)C2=CC=C(C=C2)Cl)Cl 1 3.499 1 3 0.155302710231749 1486915 C1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.752 2 1 0.228845046285038 1486911 C1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC3=CC(=CC=C3)Cl 1 4.088 2 1 1.26023138325228 1486910 CNC(=O)C1=CSC(=N1)C2=CC=CC=C2 1 1.847 2 1 0 -3.02893474790657 1486906 C1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC3=C(C=C(C=C3)F)F 1 3.834 2 1 -0.990866213993162 1486902 CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=C(C=C(C=C2)F)F)SC3=CC(=CC=C3)Cl 1 5.953 3 1 0.290888794222808 1486898 CNC(=O)C1=CSC(=N1)C2=CC=C(C=C2)Cl 1 2.511 2 1 -0.732419641004548 1486884 CC1=NN(C(=C1C(=O)NC2=C(C=C(C=C2)F)F)OC3=CC(=CC=C3)Cl)C 1 4.307 3 2 -1.9715567323794 1486883 CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)F)OC3=CC(=CC=C3)Cl)C 1 4.101 3 2 -1.52021923562773 1486875 CC1=NN(C(=C1C(=O)NC2=C(C=C(C=C2)F)F)OC3=CC=C(C=C3)Cl)C 1 4.307 3 2 -1.66986494715883 1486853 CN(C)C(=C(C#N)C#N)/C=C/NC1=CC=C(C=C1)Br 1 2.344 4 0 -3.83724903358051 1486841 C1CCN(C1)C(=O)C2=CC(=C(C=C2)N)CS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.732 2 3 -7.74227411350819 1486839 CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.702 1 6 0 -11.5845551524608 1486826 COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-] 1 4.454 4 3 0 5.48846626024646 1486813 C1CNCCC1C2=CC(=NN2)C3=C(C=C(C=C3)Cl)Cl 1 3.785 3 0 1.71740282374542 1486811 CC1(CN(C1=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C 1 3.374 1 2 -3.07421853497493 1486810 C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=O)CC#N 1 2.645 3 2 -11.6654172456234 1486801 COC1=CC=C(C=C1)C2=NNC(=C2)C3CCNCC3 1 2.44 3 1 -1.31664856110053 1486798 COC1=CC=C(C=C1)OC2=NC(=CC(=N2)OC)OC 1 3.161 2 4 -4.0251493011212 1486797 CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC(=C2)C(F)(F)F)SC 1 5.697 1 2 -0.662307590966114 1486796 CC1=CC=C(C=C1)C(=O)N2CCCC(=N2)C3=CC=C(C=C3)Cl 1 4.275 2 1 -0.303795394234961 1486794 C1CC(=NN(C1)C(=O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl 1 4.454 2 1 1.09296646244303 1486792 CCOC(=O)C1=C(N(C(=S)S1)C2=CC=C(C=C2)Cl)SC 1 5.419 1 2 -3.97646555004339 1486791 CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2)SC 1 4.755 1 2 -6.05976743577244 1486788 CC1=C(C(=NO1)C)CSC2=CC=C(C=C2)Br 1 3.585 1 1 -5.42405596870193 1486787 CS(=O)(=O)C1=CC=CC=C1C2=NC(=NO2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 4.555 2 3 -0.543841487052302 1486786 CS(=O)C1=CC=CC=C1C2=NC(=NO2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 4.459 2 2 7.93764451666475 1486785 CS(=O)(=O)C1=CC=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F 1 3.613 2 3 2.84715884729888 1486780 CSC1=CC=CC=C1C2=NC(=NO2)C3=CC=NC=C3 1 2.536 3 1 1.91779904740898 1486777 CC1=NC(=NN1C2=CC(=C(C=C2Cl)Cl)OC(C)C)C(=O)NC3=CC(=CC=C3)Cl 1 5.222 4 2 -2.24866570037382 1486770 CC1=C(OC(=N1)C2=CC=C(C=C2)Cl)C(=O)NC 1 2.098 2 2 3.10340545984553 1486767 CCOC(=O)COC1=C(C=C(C(=C1)N2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC)Cl)Cl 1 5.054 2 6 0 -14.1331578320832 1486766 CC1=C(C=CC=C1Cl)NC(=O)C2=NN(C(=N2)C)C3=CC(=C(C=C3Cl)Cl)OC(C)C 1 5.708 4 2 -3.84667283496549 1486761 C1=CC(=CC=C1C(=O)C2=CC=C(S2)CC(=O)N)F 1 2.721 1 2 -1.40663138489778 1486760 C1=CC=C(C(=C1)C(=O)C2=CC=C(S2)CC(=O)N)F 1 2.721 1 2 -3.65320438327678 1486758 C1=CC(=CC=C1C(=O)C2=CC=C(S2)CC(=O)N)Cl 1 3.18 1 2 -0.296509719776208 1486757 C1=CC=C(C(=C1)C(=O)C2=CC=C(S2)CC(=O)O)F 1 3.349 0 3 -4.55750061837812 1486756 C1=CC=C(C=C1)C(=O)C2=CC=C(S2)CC(=O)N 1 2.516 1 2 -2.91415597787237 1486755 C1=CC(=CC=C1C(=O)C2=CC=C(S2)CC(=O)O)Cl 1 3.808 0 3 -1.20080595487755 1486750 COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C2=O)C=NC=C3)OC 1 1.583 2 4 0 -7.64287260152915 1486744 C1=CC(=C(C(=C1)F)C2=NC(=NO2)C3=CC=NC=C3)F 1 2.405 3 1 4.46945315540118 1486742 C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=NC=C3)C(F)(F)F 1 2.936 3 1 6.35148235670242 1486741 C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=NO2)C3=CC=NC=C3 1 2.936 3 1 11.941783036236 1486739 CC1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=C2C3=NN=C(O3)C4=CC=C(C=C4)Cl 1 5.314 2 3 -4.8620469021587 1486736 C1=CC(=CC=C1C2=CSC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F)Cl 1 4.528 3 2 1.89244944654578 1486735 CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C(F)(F)F 1 4.438 3 2 -2.53845935835577 1486734 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3S(=O)(=O)CC4=CC=C(C=C4)Cl 1 5.314 2 3 -4.8620469021587 1486733 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3S(=O)(=O)CC4=CC=C(C=C4)Cl 1 4.828 2 3 -5.50497631548631 1486732 C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=C2C3=NN=C(O3)C4=CC=CC=C4 1 4.163 2 3 -8.43482137290096 1486730 C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)CSC3=CC=CC=C3 1 4.885 2 0 4.04038946068063 1486694 C1CCN(C1)C2=NC3=CC=CC=C3C=C2C4=CC=C(C=C4)Cl 1 4.741 2 0 8.64087205721806 1486693 CC1=CC=C(C=C1)C2=CC3=CC=CC=C3N=C2N4CCCC4 1 4.563 2 0 6.81887336663124 1486692 C1CCN(C1)C2=NC3=CC=CC=C3C=C2C4=CC=CC=C4 1 4.077 2 0 6.17594395330364 1486690 C1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F 1 3.889 1 4 -9.14265503233274 1486686 CC1=CC=C(C=C1)C2=CC3=CC=CC=C3N=C2N4CCOCC4 1 3.789 2 1 4.87531872975039 1486676 COC(=O)C1=C2CS(=O)(=O)CN2C(=C1C(=O)OC)C3=CC=C(C=C3)Cl 1 2.726 1 6 0 -3.39517122741166 1486675 C1=CC(=CC(=C1)C(F)(F)F)C2=CN(N=C2)C3=CC=CC(=C3)C(=O)O 1 4.146 2 2 9.92835537539129 1486667 C1=CC=C(C=C1)CNC2=C(C=CC=N2)C3=NC4=C(O3)C=CC(=C4)Cl 1 4.725 3 1 7.59484758437687 1486666 CC1=CC(=CC(=C1O)C)C(=O)CSC2=CC=CC=C2 1 4.358 0 2 8.15953536048583e-002 1486658 CC(C)CSC1=NC=C(C=N1)C2=CC(=CC=C2)C(F)(F)F 1 4.766 2 0 5.32772059850757 1486657 CC(=C)CSC1=NC=C(C=N1)C2=CC(=CC=C2)C(F)(F)F 1 4.638 2 0 2.40592304609676 1486641 CN1C(=O)C=C(N=C1SCC2=C(C=CC=C2Cl)Cl)C(F)(F)F 1 4.744 2 1 -9.09023598226316 1486640 CN1C(=O)C=C(N=C1SCC2=C(C=C(C=C2)Cl)Cl)C(F)(F)F 1 4.744 2 1 -7.6987915508156 1486639 CN1C(=O)C=C(N=C1SCC2=CC=CC=C2)C(F)(F)F 1 3.416 2 1 -9.41315365465613 1486638 CN1C(=O)C=C(N=C1SCC2=CC=CC=C2Cl)C(F)(F)F 1 4.08 2 1 -10.2463184244523 1486637 CN1C(=O)C=C(N=C1SCC2=CC(=CC=C2)Cl)C(F)(F)F 1 4.08 2 1 -6.83911713200296 1486636 CN1C(=O)C=C(N=C1SCC2=CC=C(C=C2)Cl)C(F)(F)F 1 4.08 2 1 -6.77634005928972 1486629 CC1=CC(=NC(=C1S(=O)(=O)C2=CC=CC=C2)OC)C 1 3.073 1 3 -7.36181764966493 1486628 CC1=CC(=NC(=C1S(=O)(=O)C2=CC=CC=C2)Cl)C 1 3.424 1 2 -5.02757647407294 1486626 CC1=CC(=CC(=C1OC(=O)N(C)C)C)C(=O)CS(=O)(=O)C2=CC=CC=C2 1 3.553 1 5 -9.85399268030729 1486624 C1=CC=C2C(=C1)NC(=N2)CSC3=CC=CC=C3Cl 1 4.328 2 0 -3.87283301593598 1486621 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC(=C(C(=C2)C)OC(=O)N(C)C)C 1 4.04 1 5 -9.14627963540493 1486613 C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2CSC4=CC=CC=C4 1 4.506 3 1 -5.29560820177186 1486610 CCOC(=O)C1=C(ON=C1C2=C(C=C(C=N2)C(F)(F)F)Cl)C 1 3.465 2 3 -4.10871057091285 1486608 C1=CC=C(C=C1)SC2=NC3=C(C=C(C=C3)Cl)N4C2=NN=C4C(F)(F)F 1 5.606 4 0 2.48736369188393 1486603 CC1=C(C(=CC=C1)C)N2CCN(CC2)C3=C(C(=O)OC(=N3)N(C)C)C#N 1 3.291 5 2 0 -2.58468252279773 1486602 CN(C)C1=NC(=C(C(=O)O1)C#N)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.524 5 2 0 -0.560311557478509 1486600 CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2=CC=C(C=C2)OC 1 0.698 3 6 0 -11.3142971921723 1486597 CN(C)C1=NC(=C(C(=O)O1)C#N)NC2=C(C=C(C=C2)F)F 1 2.418 4 2 -1.72967378383002 1486594 CN(C)C1=NC(=C(C(=O)O1)C#N)NC2=CC=C(C=C2)Cl 1 2.672 4 2 -0.654207943504707 1486592 CN(C)C1=NC(=C(C(=O)O1)C#N)NC2=CC=C(C=C2)OC 1 1.991 4 3 0 -2.88917284323567 1486589 C1=CC=C2C(=C1)C(=O)N(C2=O)OCC3=C(C=CC=C3Cl)F 1 3.161 1 3 -3.17140236695544 1486578 C1=CC=C(C=C1)N2C(=O)C(=CN2)C3=CC=CC=C3Cl 1 2.642 2 1 1.85747689790805 1486560 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=CC(=CC=C3)Cl 1 3.155 2 1 1.94570468679905 1486555 CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl 1 3.82 2 1 1.25822044276442 1486554 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 3.155 2 1 -7.02522103250223e-002 1486545 CCNC(=O)N1C=C(C(=N1)C2=CC=C(C=C2)Cl)N3C=NC=N3 1 2.762 6 1 0 -2.74069978299055 1486541 C1=CC(=CC=C1C2=NC(=NC=C2N3C=NC=N3)N)Cl 1 1.979 6 0 0 1.25735074675808 1486539 C1=CC(=CC=C1C2=C(C=NN2)N3C=NC=N3)Cl 1 2.29 5 0 -3.05555871771727 1486538 CN(C)/C=C(/C(=O)C1=CC=C(C=C1)Cl)\N2C=NC=N2 1 1.635 4 1 0 -3.97647442776873 1486536 CCNC(=O)N1C=C(C(=N1)C2=CC=CC=C2)N3C=NC=N3 1 2.098 6 1 0 -5.03721488989257 1486531 C1=CC=C(C=C1)N2C=NC(=N2)OCC(=O)N 1 0.731 4 2 0 -2.17631464123463 1486530 CCOC(=O)COC1=NN(C=N1)C2=CC=CC=C2 1 1.933 3 3 0 -5.28421100428223 1486511 CC1=CC(=CC(=C1O)C)C(=O)CS(=O)(=O)C2=CC=CC=C2 1 3.342 0 4 -6.65990228527435 1486509 CC1=CC(=CC(=C1O)C)C(=O)CS(=O)(=O)C2=CC=C(C=C2)OC 1 3.325 0 5 -6.17685885518233 1486505 CC1=CC(=CC(=C1OC(=S)N(C)C)C)C(=O)CSC2=CC=C(C=C2)F 1 6.198 1 2 -1.22731361372727 1486502 CC1=CC(=CC(=C1O)C)C(=O)CS(=O)(=O)C2=CC=C(C=C2)F 1 3.547 0 4 -5.05201562057294 1486501 CC1=CC(=CC(=C1O)C)C(=O)CSC2=CC=C(C=C2)F 1 4.563 0 2 1.71663760438623 1486498 C1=CC=C(C=C1)SCC2=NC3=CC=CC=C3N2 1 3.664 2 0 -0.418591360537915 1486495 CC1=CC=C(C=C1)SCC2=NC3=CC=CC=C3N2CC(=O)NC4=C(C=CC=C4C)C 1 5.964 3 1 -6.25956228116102 1486494 CC1=CC=C(C=C1)SCC2=NC3=CC=CC=C3N2CC(=O)NC4=CC=C(C=C4)Cl 1 5.657 3 1 -1.93234568843493 1486492 C1=CC=C2C(=C1)NC(=N2)CSC3=CC=C(C=C3)Cl 1 4.328 2 0 2.49498555237742 1486491 CC1=CC=C(C=C1)SCC(=O)C2=CC(=C(C(=C2)C)OC(=S)N(C)C)C 1 6.479 1 2 -2.12748723352632 1486484 C1=CSC(=C1)C2=C(SC3=C2N=CC(=C3)C(F)(F)F)C(=O)N 1 3.677 2 1 0.690220477799234 1486483 C1=CSC(=C1)C2=C(SC3=C2N=CC(=C3)C(F)(F)F)C(=O)O 1 4.305 1 2 -9.3393898149544e-002 1486480 C1=CC=NC(=C1)C2=C(SC3=C2N=CC(=C3)C(F)(F)F)C(=O)O 1 3.629 2 2 2.17432046221749 1486478 COC(=O)C1=C(C2=C(S1)C=C(C=N2)C(F)(F)F)C3=CC=CC=N3 1 3.855 2 2 1.95681320649967 1486477 C1=CC(=CN=C1)C2=NN=C3N2C=C(C=C3Cl)C(F)(F)F 1 2.701 4 0 3.12680317634548 1486470 C1=CC=NC(=C1)C2=NN=C3N2C=C(C=C3Cl)C(F)(F)F 1 3.13 4 0 3.78600214557105 1486467 CCOC(=O)C1=CNC2=C(C=C(C=C2C1=O)Cl)C(=O)C3=CC=CC=C3 1 3.446 1 4 -2.55028338701078 1486459 C1=CC=C2C(=C1)C(=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl)CC(=O)NN 1 3.446 4 1 -0.505900582395852 1486453 COC(=O)CC1=CN(C2=CC=CC=C21)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.791 2 2 -0.857132956543995 1486442 CC1=C(C(=NN1)C)CS(=O)(=O)C2=CC=CC=C2 1 1.811 2 2 0 -6.77290678112722 1486432 CC1(CC(=C(C(=O)C1)CS(=O)(=O)C2=CC=CC=C2)Cl)C 1 3.052 0 3 -12.4207834694858 1486430 C1C(CC(=O)C(C1=O)CS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 3.347 0 4 -7.27151097133057 1486429 C1CC(=O)C(C(=O)C1)CS(=O)(=O)C2=CC=CC=C2 1 1.398 0 4 0 -10.5443470684725 1486427 CC1(CC(=C(C(=O)C1)CS(=O)(=O)C2=CC=CC=C2)O)C 1 2.146 0 4 -10.9174243372464 1486419 COC1=CC=C(C=C1)COC2=C(SC=C2)C(=O)NC3=CC=C(C=C3)Cl 1 4.783 1 3 -3.54559111514949 1486413 COC1=CC=C(C=C1)S(=O)CC(=O)NC2=CC=CC=C2Cl 1 2.544 1 3 -1.18583637404924 1486409 C1COCCN1C(=O)CS(=O)(=O)C2=CC=CC=C2Cl 1 0.973 1 4 0 -12.3313701092716 1486408 C1COCCN1C(=O)CS(=O)(=O)C2=CC=C(C=C2)Br 1 1.057 1 4 0 -11.3123992314752 1486407 C1COCCN1C(=O)CS(=O)(=O)C2=CC=C(C=C2)F 1 0.514 1 4 0 -10.9658611514954 1486402 COC1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2Cl 1 3.656 1 2 -5.12113095195349 1486400 C1COCCN1C(=O)CSC2=CC=CC=C2Cl 1 1.989 1 2 0 -10.7608708213369 1486399 C1COCCN1C(=O)CSC2=CC=C(C=C2)Br 1 2.073 1 2 -7.25231123656403 1486398 C1COCCN1C(=O)CSC2=CC=C(C=C2)F 1 1.53 1 2 0 -6.90577315658416 1486393 CC(C)N(C(C)C)C(=O)CS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl 1 3.403 1 3 -9.75437876891729 1486385 COC1=CC=C(C=C1)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)Br 1 2.724 1 4 -8.34406205970172 1486384 COC1=CC=C(C=C1)NC(=O)CS(=O)C2=CC=C(C=C2)Br 1 2.628 1 3 -0.821161699990003 1486378 COC1=CC=C(C=C1)NC(=O)CS(=O)C2=CC=CC(=C2)C(F)(F)F 1 2.822 1 3 2.38845115059523 1486376 COC1=CC=C(C=C1)NC(=O)CS(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.208 1 3 0.118863828092537 1486374 COC1=CC=C(C=C1)NC(=O)CS(=O)(=O)C2=CC=CC=C2Cl 1 2.64 1 4 -9.36303293749804 1486373 COC1=CC=C(C=C1)NC(=O)CS(=O)C2=CC=CC=C2Cl 1 2.544 1 3 0.357913786977695 1486369 COC1=CC=C(C=C1)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)F 1 2.181 1 4 -7.99752397972185 1486368 COC1=CC=C(C=C1)NC(=O)CS(=O)C2=CC=C(C=C2)F 1 2.085 1 3 -0.474623620010132 1486366 COC1=CC=C(C=C1)NC(=O)CS(=O)(=O)C2=CC(=CC=C2)Cl 1 2.64 1 4 -7.86398425745067 1486353 COC1=CC=C(C=C1)C2=C3C(=NO2)C=C(C=N3)C(F)(F)F 1 3.634 2 2 7.37511683012951 1486292 C1=CC(=O)N(C1=O)CCNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.264 3 2 3.40399550476676 1486282 C1=CC(=C(C=C1F)F)NC(=O)CC(=O)NC2=C(C=C(C=C2)F)F 1 2.737 2 2 -2.87903522098629 1486277 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CC(=O)NC2=CC=CC=C2C(F)(F)F 1 3.8 2 2 -4.05058852570879 1486272 CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3F)F 1 4.614 1 3 -12.2414928391417 1486264 CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl 1 5.409 1 3 -6.27574792160814 1486255 C1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C(=O)NC3=CC=C(C=C3)F)Cl 1 3.061 3 2 -2.37928425714905 1486211 CCOC(=O)CSC1=NC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC 1 2.584 2 4 -15.2158718174528 1486212 CCOC(=O)CSC1=NC=C(C=C1)C(=O)NC2=CC=C(C=C2)Cl 1 3.265 2 3 -13.0519498663569 1486244 CCOC(=O)C1=NN(C(=O)C=C1SC2CCCCC2)C3=CC=CC=C3 1 4.01 2 3 -3.76608190359729 1486243 CCOC(=O)C1=NN(C(=O)C=C1SC(C)C)C2=CC=CC=C2 1 2.878 2 3 -6.9224044708303 1486242 CC(C)S(=O)(=O)C1=NC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F 1 2.666 2 3 -10.5580847536692 1486225 CC1=NC(=CN(C1=O)O)C2=CC=CC=C2 1 0.492 2 2 0 -1.21923956530968 1486221 CC(C)SC1=NC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F 1 3.682 2 1 -6.94914240275408 1486191 CSC1=NN2C=C(C=NC2=N1)C#N 1 1.182 5 0 0 -3.95422845866176 1486183 C1=C(SC(=C1)S(=O)(=O)N)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.05 2 2 1.89236997229358 1486173 CN(C)/C=C(\C=O)/C1=C(C(=NO1)C2=CC=CC=C2Cl)C#N 1 2.686 3 2 -0.31809891019837 1486170 CN(C)C1=NC2=C(C(=NN2C3=CC=C(C=C3)OC)N)C(=O)O1 1 1.805 5 3 0 -2.3125909646519 1486155 COC1=CC=C(C=C1)C2OCC3(CO2)CSC4=CC=CC=C4C3=O 1 3.146 0 4 -0.220376316989123 1486154 C1C2(COC(O1)C3=CC(=CC=C3)C(F)(F)F)CSC4=CC=CC=C4C2=O 1 4.105 0 3 1.48257966666873 1486142 C=CCN1C=C(C=C(C1=O)C(=O)NC2=CC=CC=C2)Cl 1 1.612 2 2 0 -10.6428528035391 1486141 CN1C=C(C=C(C1=O)C(=O)NC2=CC=CC=C2)Cl 1 0.995 2 2 0 -7.49243183937936 1486140 C#CCN1C=C(C=C(C1=O)C(=O)NC2=CC=CC=C2)Cl 1 2.187 2 2 -9.31439341244542 1486139 CCOC(=O)CN1C=C(C=C(C1=O)C(=O)NC2=CC=CC=C2)Cl 1 1.051 2 4 0 -10.295019335433 1486135 COC1=CC=C(C=C1)NC(=O)C2=CC=CN(C2=O)CC#C 1 1.802 2 3 0 -11.1117823513772 1486134 CC(=CCN1C=CC=C(C1=O)C(=O)NC2=CC=C(C=C2)OC)C 1 2.076 2 3 -11.4177056135203 1486133 C1=CC2=C(N=C1)N=C(N2O)C3=C(C=C(C=C3)Cl)Cl 1 1.518 3 1 0 3.9469790385328 1486131 C1=CC=C(C(=C1)C2=NC3=C(N2O)C=CC=N3)Cl 1 0.854 3 1 0 1.81363901070499 1486129 CCCN1C=CC=C(C1=O)C(=O)NC2=CC=C(C=C2)OC 1 1.483 2 3 0 -9.62751689201806 1486117 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CN(C2=O)CC=C 1 0.364 3 3 0 -15.21719327008 1486116 CN(C)C1=CC=C(C=C1)NC(=O)C2=CC=CN(C2=O)CC=C 1 1.405 3 2 0 -14.6885619119394 1486114 CSC1=CC=C(C=C1)NC(=O)C2=CC=CN(C2=O)CC=C 1 1.785 2 2 0 -9.8221585928569 1486113 CC1=C(C=C(C=C1)NC(=O)C2=CC=CN(C2=O)CC=C)C 1 2.216 2 2 -12.2751903479668 1486112 CC1=C(C=C(C=C1)NC(=O)C2=CC=CN(C2=O)CC=C)Cl 1 2.394 2 2 -11.595419679418 1486111 COC1=C(C=C(C=C1)NC(=O)C2=CC=CN(C2=O)CC=C)Cl 1 1.891 2 3 0 -12.862090390743 1486110 C=CCN1C=CC=C(C1=O)C(=O)NC2=CC=C(C=C2)Cl 1 1.908 2 2 0 -10.2052768427399 1486109 CC1=CC=C(C=C1)NC(=O)C2=CC=CN(C2=O)CC=C 1 1.729 2 2 0 -12.0272755333267 1486108 C=CCN1C=CC=C(C1=O)C(=O)NC2=CC=C(C=C2)F 1 1.449 2 2 0 -11.3153985078615 1486107 CCOC1=CC=C(C=C1)NC(=O)C2=CC=CN(C2=O)CC=C 1 1.576 2 3 0 -13.2064648941789 1486105 C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=C(C=C3)Cl)CC(=O)O 1 3.098 2 3 -7.10636033087457 1486099 CC1=CC=C(C=C1)C2=NC3=C(N2OC)C=CC=N3 1 0.715 3 1 0 1.51253134882515 1486098 COC1=CC=C(C=C1)C2=NC3=C(N2O)C=CC=N3 1 0.173 3 2 0 1.99414042250138 1486096 C1=CC=C(C=C1)C2=NC3=C(N2O)C=C(C=C3)Cl 1 1.809 2 1 0 7.18719718376397 1486073 CCOC(=O)CC1=NC(=NN1)C2=CC=CC=C2 1 1.855 3 2 0 -2.83684386730504 1486067 C1COCCN1C2=NC3=CC=CC=C3C4=NN=C(N42)C5=CC=C(C=C5)Br 1 3.453 5 1 0.489440463459159 1486053 CC(C)(C)NC(=O)NC1=CC=C(C=C1)CN2C=C(C=CC2=O)C(F)(F)F 1 2.415 3 2 -8.70125631442654 1486051 CNC(=O)NC1=CC=C(C=C1)CN2C=C(C=CC2=O)C(F)(F)F 1 1.484 3 2 0 -4.14446825035936 1486050 COC(=O)NC1=CC=C(C=C1)CN2C=C(C=CC2=O)C(F)(F)F 1 2.131 2 3 -3.29101265918134 1486049 C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=CC3=O)C(F)(F)F 1 3.152 2 2 -4.44214253693876 1486047 C1=CC=C(C(=C1)CNC(=O)C2=CC=C(C=C2)CN3C=C(C=CC3=O)C(F)(F)F)Cl 1 3.824 2 2 -8.53478587426964 1486041 CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=CC3=O)C(F)(F)F 1 3.639 2 2 -2.39784284523628 1486040 C1=CC=NC(=C1)CNC(=O)C2=CC=C(C=C2)CN3C=C(C=CC3=O)C(F)(F)F 1 2.224 3 2 -9.37590003723393 1486039 C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)CN3C=C(C=CC3=O)C(F)(F)F 1 2.009 3 2 -9.82920839769201 1486035 C1=CC(=CC=C1CN2C=C(C=CC2=O)C(F)(F)F)C(=O)NCC3=CC=NC=C3 1 2.009 3 2 -7.83032344805874 1486033 CC(C)(C)NC(=O)C1=CC=C(C=C1)CN2C=C(C=CC2=O)C(F)(F)F 1 2.507 2 2 -10.5003553255321 1486032 C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C=C(C=CC3=O)C(F)(F)F 1 3.159 2 2 -8.1211339020623 1486031 C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)CN3C=C(C=CC3=O)C(F)(F)F)Cl 1 3.824 2 2 -5.76584773130618 1486029 C1=CC(=CC=C1CN2C=C(C=CC2=O)C(F)(F)F)C(=O)O 1 1.997 1 3 0 -1.79678122796316 1486028 COC(=O)C1=CC=C(C=C1)CN2C=C(C=C(C2=O)[N+](=O)[O-])C(F)(F)F 1 1.965 2 5 0 -4.45287748228991 1486027 COC(=O)C1=CC=C(C=C1)CN2C=C(C=CC2=O)C(F)(F)F 1 2.223 1 3 -2.91663027659516 1486024 C1=CC(=CC(=C1)Cl)CN2C=C(C=C(C2=O)[N+](=O)[O-])C(F)(F)F 1 2.774 2 3 1.53714671892492 1486019 C1COCCN1C(=O)C2=CN(C(=O)C(=C2)Cl)CC3=CC=C(C=C3)Cl 1 1.56 2 3 0 -4.02344080418416 1486008 COC(=O)C1=CC=CN(C1=O)CC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.282 1 4 -4.82836071064789 1486007 COC(=O)C1=CC=CN(C1=O)CC(=O)C2=CC=C(C=C2)Cl 1 1.617 1 4 0 -7.78383963689714 1486004 COC(=O)C1=CN(C(=O)C=C1)CC(=O)C2=CC=C(C=C2)Cl 1 1.617 1 4 0 -5.51638519600809 1486001 C1COCCN1C(=O)C2=CN(C(=O)C(=C2)Cl)CC3=CC=CC=C3 1 0.896 2 3 0 -5.8441253980321 1485979 CC1=CC=CC=C1CS(=O)(=O)C2=C(N=NS2)C 1 2.377 2 2 -8.36126171259386 1485976 C1=CC(=CN=C1)C2=NC(=O)C=C(N2)C(F)(F)F 1 0.938 3 1 0 -4.40952495864625 1485972 CC1=C(SN=N1)S(=O)(=O)CC2=CC=CC=C2C(F)(F)F 1 2.833 2 2 -6.72248665055759 1485964 C1=CC(=CC=C1NC(=O)N)OC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.295 3 2 5.88716948954362 1485963 C1=CC(=CC=C1C(=O)N)OC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.387 2 2 4.10078304828355 1485947 C1=CC=C2C(=C1)C(=NNC2=O)CNC3=CC=C(C=C3)OC(F)(F)F 1 4.278 3 2 -7.97977543272693 1485946 CN(C)C(=C(C#N)C#N)N1CCN(CC1)C2=CC(=C(C=C2)Cl)Cl 1 3.744 5 0 0.530306175677338 1485944 CN(C)C(=C(C#N)C#N)N1CCN(CC1)C2=CC=C(C=C2)Cl 1 3.08 5 0 0.527860085995197 1485943 C1COCCN1C2=C(C=C(S2)C(=O)C3=CC=C(C=C3)Br)C4=CC=CC=N4 1 4.706 2 2 -1.37326577930505 1485941 C1COCCN1C2=C(C=C(S2)C(=O)C3=CC=CC=C3)C4=CC=CC=N4 1 3.958 2 2 -2.70266528931218 1485940 C1COCCN1C2=C(C=C(S2)C(=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=N4 1 5.287 2 2 -0.488329429148544 1485939 CC1=CC=C(C=C1)S(=O)(=O)C2=C(CS(=O)(=O)C2)C(=O)C 1 1.049 0 5 0 -10.9637913902865 1485938 C1COCCN1C2=C(C=C(S2)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=N4 1 4.622 2 2 8.3393965796393e-002 1485936 C1=CC=C(C=C1)C(=O)C2=CN=C(S2)NC3=CC(=C(C=C3)Cl)Cl 1 4.764 2 1 1.67322341729259 1485932 C1=CC(=NC(=C1)Cl)NNC(=O)C(F)(F)F 1 1.685 3 1 0 -4.34490337539322 1485918 C1=C(N=C(N(C1=O)N)N)C(F)(F)F 1 -0.277 4 1 0 -2.23140628055552 1485914 CC1=CC=C(C=C1)COC2=C(SC=C2)C3=NC(=NN3)SC 1 4.584 3 1 -0.806969965390873 1485910 CC(C)(C)C(=O)C1=CN=C(S1)NC2=CC=CC=C2Cl 1 3.982 2 1 -2.26770836354948 1485907 C1=CC=C(C=C1)C(=O)C2=CN=C(S2)NC3=CC=CC=C3Cl 1 4.1 2 1 0.355779384870108 1485904 CC(C)(C)C(=O)C1=CN=C(S1)NC 1 1.741 2 1 0 -7.25358120370239 1485902 CNC1=NC=C(S1)C(=O)C2=CC=CC=C2 1 1.859 2 1 0 -4.38624654125232 1485901 CNC1=NC=C(S1)C(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.187 2 1 -2.20048577387945 1485900 CNC1=NC=C(S1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.377 2 1 -0.427702571745276 1485898 CNC1=NC=C(S1)C(=O)C2=CC=C(C=C2)F 1 2.064 2 1 -2.87872194827772 1485897 CNC1=NC=C(S1)C(=O)C2=CC=C(C=C2)Cl 1 2.523 2 1 -1.76860028315615 1485886 COC1=CC=C(C=C1)N2CCN(CC2)C3=NNC(=N3)N 1 1.061 6 1 0 5.29346582580878 1485885 C1CN(CCN1C2=NNC(=N2)N)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.601 6 0 -1.22129618470521 1485884 CC1=C(C(=CC=C1)C)N2CCN(CC2)C3=NNC(=N3)N 1 2.05 6 0 4.39393809509895 1485883 C1C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3 1 2.581 1 1 -4.85233865662471 1485882 C1CN(CCN1C2=CC=C(C=C2)Cl)C3=NNC(=N3)N 1 1.742 6 0 0 7.52843072553973 1485873 CC1=C(C(=NS1)SCC2=CC=C(C=C2)F)C#N 1 3.736 2 0 -7.02457612197541 1485867 CC1=C(C(=NS1)S(=O)(=O)CC2=C(C=CC=C2Cl)Cl)C#N 1 3.844 2 2 -9.72261295893434 1485854 CC1=C(C(=NS1)S(=O)(=O)CC2=CC=CC=C2Cl)C#N 1 3.179 2 2 -7.37754701707128 1485849 C1CN(CCN1CC2=CC=CC=C2)C3=NNC(=N3)N 1 0.989 6 0 0 6.35082777925592 1485844 CN(C)/C=C\1/C(=NNC1=O)C(F)(F)F 1 0.363 3 1 0 -7.65168534933126 1485832 C1=CC=C(C=C1)NC(=O)C2=C(N=C3C(=C2)C(=O)C4=CC=CC=C4O3)C(F)(F)F 1 4.508 2 3 -1.01858491948076 1485826 C1=CC=C2C(=C1)C(=O)C3=CC(=C(N=C3O2)C(F)(F)F)C(=O)O 1 3.353 1 4 0.475972303391631 1485823 C1=CC(=C(C(=C1)Cl)C(=O)NNC2=C(C=CC=N2)Cl)Cl 1 4.018 3 1 -3.21982361548132 1485816 CCN1C2=CC=CC=C2C(=O)C(=C1O)C3=CC(=O)NN3 1 0.95 3 3 0 -0.624822701815503 1485813 CC1=CC(=O)N2C(=N1)SC(=N2)C3=CC=CC=C3OC 1 2.661 3 2 -6.28849415825352 1485812 CC1=CC(=O)N2C(=N1)SC(=N2)C3=CC=C(C=C3)C(F)(F)F 1 3.62 3 1 0.178903380146835 1485809 CN1C=C(C(=O)C2=C1C=CC(=C2)Cl)C3=CC=CC=C3C(=O)N 1 2.711 2 2 1.1683349306996 1485807 CN1C=C(C(=O)C2=C1C=CC(=C2)Cl)C3=CC=CC=C3C(=O)O 1 3.339 1 3 0.735375585056727 1485795 COC(=O)C1=C(N(N=N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)OC 1 3.348 3 4 0 -7.4301359141403 1485789 C1=CC(=CC=C1C2=NC=C(C=C2)C(=O)C3=CC=C(C=C3)F)F 1 4.441 1 1 -2.47369973832345 1485788 C1CC1C(=O)C2=CN(N=N2)C3=CC(=C(C=C3)Cl)Cl 1 3.844 3 1 -5.10090521277275 1485783 CN1CCN(CC1)C2=CC=C(C=C2)C(=O)C3=CN(N=N3)C4=CC(=C(C=C4)F)Cl 1 4.411 5 1 2.89935968303278 1485780 COC1=C(C=C(C=C1)N2C=CC=C2C=O)OC 1 2.724 1 3 -0.46059945219201 1485773 COC1=C(C=C(C=C1)CNC(=O)CN2C=NC=N2)OC 1 0.406 4 3 0 -22.9974261667135 1485771 CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)OC)C 1 2.346 2 2 -11.196307062988 1485768 CC1=CC(=NN1C(=O)C2=CC(=C(C=C2)O)OC)C 1 2.098 2 3 -4.67647739636858 1485767 C1=CC(=CC(=C1)C(F)(F)F)COC2=C(N=CC=C2)N 1 2.981 2 1 2.41750242018433 1485764 C1=CC(=C(N=C1)N)OCC2=CC=C(C=C2)Br 1 2.787 2 1 -0.314214698238071 1485740 CCN1C(=NNC1=S)C2CCN(CC2)CC3=CC=CC=C3 1 2.996 4 0 -0.313402058041187 1485674 COC1=CC=CC2=C1C=C(C(=O)N2)C3=CC=CC=C3 1 2.714 1 2 -2.49867144112061 1485671 CN(C1=NC2=C(S1)CCCC2)C(=O)C3=CC=CO3 1 2.603 2 2 -5.74997995122447 1485660 CN1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=CO3 1 3.071 3 2 2.85535696966262 1485658 CN1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)NC3=CC=CC=C3 1 3.584 4 1 2.44395791669996 1485657 C1COCCN1C(=O)CC2=CC(=C(C=C2)Cl)Cl 1 2.295 1 2 -7.34811831913322 1485652 CN1C(=CC(=O)N(C1=O)C)N2CCCCC2 1 1.065 3 2 0 -6.813891381595 1485637 COC1=CC=CC(=C1)CNC(=O)C2=CN=C(N=C2C(F)(F)F)C3=CC=CC=N3 1 3.095 4 2 -2.62468568191765 1485631 CCOC(=O)C1=CN=C(NC1=O)N2C(=O)C=C(N2)C 1 -0.741 4 4 0 -10.2292884633154 1485628 C1=CC(=CC=C1C2=C(C3=NC(=NN3C=C2)CCC(=O)O)C#N)Cl 1 2.488 4 2 -6.28298577448998 1485621 COC(=O)CCC1=NN2C=CC(=C(C2=N1)C#N)C3=CC=C(C=C3)Cl 1 2.713 4 2 -8.26023234293555 1485611 CC1(CN(C1=O)CC2=C(N(N=C2C(F)(F)F)C)N3CCOCC3)C 1 1.971 4 2 0 -0.808871726183159 1485610 C1=CC(=CC=C1C2=CN3C=C(C=C(C3=N2)Cl)C(F)(F)F)F 1 4.329 2 0 7.29270229297876 1485570 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43 1 3.166 3 1 0.414280816723536 1485568 COC1=CC=CC=C1NC(=O)C2=CNC3=CC=CC=C32 1 2.891 2 2 -4.67720522302933 1485567 CC1=C(C(=CC=C1)C)NC(=O)C2=CNC3=CC=CC=C32 1 3.88 2 1 -2.30935918514686 1485561 C1=CC=C(C=C1)S(=O)(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=C(C=C4)F 1 4.728 3 2 -12.0225307014468 1485560 CC1=NN2C=C(C=NC2=C1Br)C3=CC(=CC=C3)Cl 1 3.316 3 0 6.56399692592251 1485559 CC1=NN2C=C(C=NC2=C1Cl)C3=CC(=CC=C3)Cl 1 3.232 3 0 6.24265209229063 1485558 CC1=NN2C=C(C=NC2=C1)C3=CC(=CC=C3)Cl 1 2.568 3 0 5.84665205769028 1485557 COCC1=CC(=O)N2C(=N1)C(=CN2)C3=CSC=C3 1 -2.4e-002 3 2 0 -3.7791908732934 1485553 COC1=CC=C(C=C1)C2=C3N=CC(=CN3N=C2)C4=CC(=CC=C4)Cl 1 3.787 3 1 6.65374678135287 1485523 C1=CC=C(C(=C1)C2=NN(C=C2)CCO)OCC3=CC=C(C=C3)F 1 3.66 2 2 -2.1440246981831 1485522 CC1=C2N=CC=C(N2N=C1)C3CC3 1 1.629 3 0 0 -5.18350131971937 1485521 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NCC3=CC(=C(C=C3)OC)Cl 1 3.42 3 3 -4.22942070052206 1485518 C1CC1C2=CC=NC3=C(C=NN23)C#N 1 1.022 4 0 0 -7.45856893002433 1485513 COC1=C(C=C(C=C1)CNC(=O)N2CCC3=CC=CC=C3C2)Cl 1 3.465 2 2 -11.6138163898953 1485505 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 2.84 4 3 0 -1.11118929483276 1485503 COC1=C(C=C(C=C1)CNC(=O)OC2=CC=CC=C2)Cl 1 3.825 1 3 -5.46471545530377 1485502 C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.544 4 3 0 -3.00227421047308 1485499 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 1.882 4 4 0 -7.11660677966022 1485496 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3 1 1.898 4 3 0 -6.96494376565831 1485494 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)N(C)C2CCCCC2 1 2.127 3 3 -9.33250342590989 1485493 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3Cl 1 2.563 4 3 0 -5.99575186871901 1485492 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCOCC2 1 -4.4e-002 3 4 0 -12.5419145487113 1485489 CCNC1=NC2=CC=CC=C2N1 1 1.572 3 0 0 0.766611194951471 1485486 CC(=O)C1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2 1 2.55 2 2 -12.4758780185976 1485485 CC1=CC=C(C=C1)CSC2=NC3=C(C=CS3)C4=NC(=O)CN42 1 3.823 3 1 -13.0736823126101 1485484 CC1=CC(=NC2=C1C(=NN2C)NC(=O)C)C 1 1.156 4 1 0 -5.41696265458668 1485478 CC1=CC(=NC2=C1C(=NN2C)NC(=S)NC(=O)C3=CC=CC=C3)C 1 3.499 5 1 -9.32686359634691 1485477 CC1=CC(=NC2=C1C(=NN2C)NC(=O)CCl)C 1 1.689 4 1 0 -5.93947125085197 1485466 CC1=CC(=C(C(=O)N1CC=C)C#N)C 1 1.298 2 1 0 -9.6777168946441 1485464 CC1=CC(=NC2=C1C(=NN2C)NC(=O)C3CC3)C 1 1.914 4 1 0 -5.33534108621628 1485462 C1CN(CCN1C2=CC=CC=C2)C3=NC=C(S3)CN4C(=O)C5=CC=CC=C5C4=O 1 2.692 4 2 5.20762134829419 1485448 C1=COC(=C1)C2=NC(=NC=C2)C3=CC=NC=C3 1 1.862 3 1 0 5.36965453095794 1485433 C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=CC=C3)NC(=O)CCl 1 2.894 3 1 2.85800772257658 1485427 COC1=CC=CC2=C1OC(=C2)C3=CC=NC(=S)N3 1 3.113 2 2 0.367331769231352 1485426 CS(=O)(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C2 1 2.152 3 2 4.46080387765159 1485419 C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC=CO4 1 3.421 3 2 4.17589868305672 1485416 CNC(=S)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C2 1 3.923 4 0 0.303759513086747 1485412 C1=CC=NC(=C1)C2=NC=CC(=N2)C3=CC=CO3 1 2.291 3 1 4.08274962543561 1485411 CN1C2=NC=C(C(=C2C=N1)NCC3=CC=C(C=C3)OC)CO 1 1.499 4 2 0 -2.22752678486498 1485389 C1=CC=C(C(=C1)C2=NC3=C(C(=O)O2)SC=C3)Cl 1 3.758 1 2 -8.91849408013382 1485388 CC1=CC=C(C=C1)C2=NC3=C(C(=O)O2)SC=C3 1 3.58 1 2 -9.42350533273318 1485387 C1=CC(=CC=C1C2=NC3=C(C(=O)O2)SC=C3)F 1 3.299 1 2 -8.71162830726793 1485386 C1=CC=C(C(=C1)C(=O)NC2=C(SC=C2)C(=O)O)Cl 1 2.862 1 3 -9.02524400883273 1485385 CC1=CC=C(C=C1)C(=O)NC2=C(SC=C2)C(=O)O 1 2.684 1 3 -8.78016991916189 1485384 CC1=CC=C(C=C1)C(=O)NC2=C(SC=C2)C(=O)OC 1 2.909 1 3 -8.64685556475889 1485381 C1=CC=C(C=C1)C2=NC3=C(C(=O)O2)SC=C3 1 3.094 1 2 -9.89802174904838 1485374 CC(=O)N1C(CC(=NOC(=O)C2=CC=CC=C2)CC1(C)C)(C)C 1 2.063 2 3 -1.5658350707861 1485336 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)F 1 2.623 2 2 -5.51468706180841 1485335 CC(C)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C)F 1 2.404 3 1 -4.83882957737134 1485328 C1CC1C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)F 1 3.705 3 1 1.04830231301599 1485319 C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)N)F 1 3.08 3 0 6.37222556873749 1485316 COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC3=CC4=CC=CC=C4N=C3S2 1 3.096 3 4 0 -6.50178755905227 1485315 CS(=O)(=O)NNC(=O)C1=CC2=CC3=CC=CC=C3N=C2S1 1 1.536 3 3 0 -5.87174568449657 1485309 C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC3=CC4=CC=CC=C4N=C3S2 1 3.113 3 3 -7.15324398615669 1485307 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC3=CC4=CC=CC=C4N=C3S2 1 3.896 3 2 -2.65064490766467 1485306 C1=CC=C2C(=C1)C=C3C=C(SC3=N2)C(=O)NNC(=O)C4=CC=C(C=C4)F 1 3.615 3 2 -1.87938662571099 1485303 C1=CC=C2C(=C1)C=C3C=C(SC3=N2)C(=O)NNC(=O)C4=CC(=CC=C4)C(F)(F)F 1 4.352 3 2 0.323334647548087 1485302 C1=CC=C2C(=C1)C=C3C=C(SC3=N2)C(=O)NNC(=O)C4=CC(=CC=C4)Cl 1 4.074 3 2 -0.355582337777993 1485301 C1CC1C(=O)NNC(=O)C2=CC3=CC4=CC=CC=C4N=C3S2 1 2.503 3 2 -6.20899449157757 1485300 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC3=CC4=CC=CC=C4N=C3S2 1 3.599 3 3 -6.08882134990813 1485290 C1CC1NC(=O)C2=CC3=CC4=CC=CC=C4N=C3S2 1 3.066 2 1 -4.25566891760606 1485286 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=CC4=CC=CC=C4N=C3S2 1 3.896 3 2 -2.59126365117624 1485285 C1=CC=C2C(=C1)C=C3C=C(SC3=N2)C(=O)NN 1 1.878 3 1 0 -0.398207542929244 1485250 COC1=C(C=C(C=C1)CCN2C=CC(=O)C(=C2O)CC3=C(C=C(C=C3)Cl)Cl)OC 1 5.46 1 4 -2.14019811288218 1485245 COC1=C(C=C(C=C1)CCN2C=CC(=O)C(=C2O)CC(=O)OC)OC 1 2.046 1 6 0 -9.23932540782737 1485243 C1=CC=C(C=C1)CCNC(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.862 2 1 -3.49088968024889 1485238 CC1=C(SC=C1)/C=C/C(=O)O 1 2.367 0 2 -7.13537177015751e-002 1485234 C1=COC(=C1)C(=O)NC2=CC3=NC=CN=C3C=C2 1 1.474 3 2 0 -2.69205452339682 1485218 C1COCCN1C2=NC=C(S2)CN3C=CC=N3 1 0.368 4 1 0 -2.3474684167712 1485215 CN1C(=O)C(=CC2=C(C=CC3=CC=CC=C32)OCC4=CN=C(S4)Cl)C(=O)N(C1=O)C 1 3.161 3 4 0 0.239053563166222 1485208 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NNC(=O)C3CCN(CC3)CC4=CC(=CC=C4)F 1 4.039 4 3 0 -7.18963127412804 1485207 C1CN(CCC1C(=O)NNC(=O)C2=CC=CS2)CC3=CC(=CC=C3)F 1 2.576 3 2 -1.4260532629922 1485205 CC1=CC=CC=C1CSC2=NC(=O)C=C(N2)C(C)(C)C 1 4.154 2 1 -12.4383532288807 1485204 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN=C(C=C3)C(F)(F)F 1 3.352 3 2 -4.94765996766768 1485201 COC1=CC=CC(=C1)C(=O)C2=CNC(=C2)C(=O)NCC3=CC=CS3 1 3.134 2 3 -9.09089029319074 1485194 CC1=CC=C(C=C1)S(=O)(=O)N2CCN=C(C=C2)C(F)(F)F 1 2.331 2 2 -5.47313021217985 1485188 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCN=C(C=C3)C(F)(F)F 1 3.558 3 2 -8.23108368795278 1485186 COC1=CC=CC(=C1)C(=O)C2=CNC(=C2)C(=O)NCC3=CN=CC=C3 1 2.243 3 3 -8.76552785142291 1485173 COC1=CC=CC(=C1)C(=O)C2=CNC(=C2)C(=O)NCC3=CC=CO3 1 2.576 2 4 -8.39612512555614 1485172 C1=COC(=C1)CNC(=O)C2=CC(=CN2)C(=O)C3=CC=C(C=C3)F 1 2.798 2 3 -6.60106660120795 1485171 CC1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCC3=CN=CC=C3 1 2.746 3 2 -7.68234635253997 1485168 C1=CC(=CN=C1)CNC(=O)C2=CC(=CN2)C(=O)C3=CC=C(C=C3)F 1 2.465 3 2 -6.97046932707471 1485162 CC1=CC(=CC=C1)NC2=NC=C(S2)C(=O)C 1 2.257 2 1 1.0963199087964 1485161 CC1=CC=C(C=C1)NC2=NC=C(S2)C(=O)C 1 2.257 2 1 -1.18406689606532 1485160 CC1=CC(=CC=C1)NC2=NC(=C(S2)C(=O)C)C 1 2.54 2 1 -0.565799604038867 1485146 CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)O 1 3.649 1 3 0.854562695570612 1485143 CCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C 1 3.561 2 1 -11.6107147436948 1485130 COC1=CC=CC=C1CNC(=O)/C=C/C2=CC3=C(C=C2Br)OCO3 1 3.589 1 4 -8.80532485930352 1485120 CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)OC 1 3.875 1 3 5.25119457913792e-003 1485119 CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCC3=CC=CO3 1 3.993 2 3 -4.7348094775619 1485117 C1CN(CCC1C(=O)NNC(=O)C2=CC=CS2)CC3=CC(=C(C=C3)Cl)Cl 1 3.699 3 2 -1.21171317358601 1485116 C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)NCC3=CC=C(C=C3)Cl)Br 1 4.27 1 3 -4.45610212850666 1485113 CC1=CC=C(C=C1)C(=O)NNC(=O)C2CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl 1 4.232 3 2 0.824835691028181 1485098 CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCC3=CC=CS3 1 4.551 2 2 -5.42957464519649 1485096 CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCC3=CC=CC=N3 1 4.124 3 2 -4.34314838988861 1485091 CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCC3=CN=CC=C3 1 3.66 3 2 -5.10421220342866 1485057 CC1=CC=C(N1C2=C(C=CS2)C3=NN4C(=CC(=NC4=C3)C)C)C 1 3.568 4 0 -9.8684631720977 1485055 CC1=CC2=NC(=CC(=O)N2N1)CSC3=CC=CC=C3 1 1.67 3 1 0 -6.62710445673101 1485048 CCN1C(=O)CSC1=NN2C=NN=C2 1 5.5e-002 5 1 0 -8.29111494727694 1485047 C1C(=O)N(C(=NN2C=NN=C2)S1)CC(=O)O 1 -0.812 5 3 0 -14.0451694349933 1485034 CC1=CC2=NC(=CC(=O)N2N1)CCl 1 0.145 3 1 0 -5.68405750075667 1485027 C1=CC(=CC=C1C2=CSC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F)Br 1 4.612 3 2 0.435789701444345 1485023 CC1=CC2=NC(=C(C(=O)N2N1)Cl)C 1 0.197 3 1 0 -5.81706119032586 1485017 CCOC(=O)CN1C(=O)CSC1=NN2C=NN=C2 1 -0.238 5 3 0 -13.1354532735808 1485014 CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)OC 1 1.327 5 4 0 -8.56675621768033 1485012 CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)NNC(=S)NC3=CC=CC=C3 1 3.043 6 1 0 -6.2498894404771 1485009 CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)NN=CC3=CC=C(C=C3)Br 1 3.201 5 1 -5.39915493914486 1485008 COC1=CC=CC(=C1)CNC(=O)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NCC3=CC(=CC=C3)OC 1 4.276 3 4 0 -2.98284953332309 1485001 CN(C(=O)C1=NN(C=CC1=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC 1 1.752 4 5 0 -6.41787054651298 1485000 CCSC1=NC=CC(=N1)C2=NN(C=CC2=O)C3=CC=C(C=C3)C 1 3.893 4 1 -3.88253393513166 1484999 CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C3=NC(=NC=C3)SCC4=CC(=CC=C4)Cl 1 5.792 4 1 -4.79703721088587 1484997 COC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)O 1 1.431 2 4 0 -3.58139580813704 1484996 CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C3=NC(=NC=C3)SC 1 3.544 4 1 -2.44222336951266 1484995 COC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)OC 1 1.657 2 4 0 -4.33544995155169 1484975 C1=CN(C=C1)C2=C(SC=C2)C3=NN=C(O3)SCC4=CC(=CC=C4)Cl 1 5.29 3 1 -9.34346495221908 1484973 C1=CN(C=C1)C2=C(SC=C2)C3=NN=C(O3)SCC4=CC(=CC(=C4)Cl)Cl 1 5.954 3 1 -9.02230980687362 1484972 CC(C)(C)C1=CC2=C(N1CC3=CC=CC=C3)N=CC=C2 1 4.653 2 0 -4.29436652340148 1484970 C1=CN(C=C1)C2=C(SC=C2)C3=NN=C(O3)SCC4=C(C=CC=C4Cl)Cl 1 5.954 3 1 -11.5945838024793 1484969 C1=CN(C=C1)C2=C(SC=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)Cl 1 5.29 3 1 -9.18329365298105 1484958 CCNC(=O)NCC1=C(N(C(=C1C)C)CC2=CC=CC=C2)N3C=CC=C3 1 3.817 4 1 -9.64208622498928 1484954 CC1=C(N(C(=C1CNC(=O)C2CC2)N3C=CC=C3)CC4=CC=CC=C4)C 1 4.23 3 1 -13.4274491805074 1484953 CCC(=O)NCC1=C(N(C(=C1C)C)CC2=CC=CC=C2)N3C=CC=C3 1 4.139 3 1 -11.2293679123907 1484951 C1=CC=C(C=C1)CSC2=NN=C(O2)C3=C(C=CS3)N4C=CC=C4 1 4.625 3 1 -11.9175014748722 1484950 CSC1=NN=C(O1)C2=C(C=CS2)N3C=CC=C3 1 3.042 3 1 -6.99232465951381 1484944 CC1=CC=CC=C1C=NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 4.045 3 1 -4.84349505050899 1484943 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=CS2)N3C=CC=C3 1 3.513 3 1 -7.30233167187739 1484938 C1CN(CCN1C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4 1 2.581 3 2 -10.4904080638391 1484933 C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3 1 3.538 3 0 7.6259390400045 1484932 C1CN(CCN1CC2=C(C=CC=C2Cl)F)C3=NC4=CC=CC=C4S3 1 4.408 3 0 4.05622119504431 1484930 CC1=CC=CC=C1CN2CCN(CC2)C3=NC4=CC=CC=C4S3 1 4.024 3 0 6.5489463308994 1484929 COC1=CC=C(C=C1)CN2CCN(CC2)C3=NC4=CC=CC=C4S3 1 3.522 3 1 8.19620073265236 1484928 C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3 1 3.432 4 2 6.10331909152555 1484922 CC(=NNC(=O)C1=C(C=CS1)N2C=CC=C2)C3=CC=C(C=C3)OC 1 3.477 3 2 -10.1540951079113 1484921 C1=CC=C(C(=C1)C(=O)NN=CC2=CC(=CC=C2)Br)N3C=CC=C3 1 4.308 3 1 -3.49519339471652 1484914 CC1=CC=CC(=C1)C=NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 4.045 3 1 -4.43550343637133 1484912 CC(=NNC(=O)C1=C(C=CS1)N2C=CC=C2)C3=CC=CS3 1 3.446 3 1 -11.7060277486446 1484911 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=C(C=CS2)N3C=CC=C3 1 3.675 4 1 -9.98985323761151 1484897 CC1=NC2=C(N1)C=CC=C2Cl 1 2.27 2 0 -0.298350989321997 1484895 CONC(=O)C1CCN(CC1)C(=O)OCC2=CC=CC=C2 1 1.332 2 4 0 -3.59017806945204 1484876 C1=CC=C(C(=C1)C(=O)O)NC2=CC(=NC=C2)C(F)(F)F 1 3.23 2 2 -0.18463404156026 1484861 CCOC(=O)C1=C2C=CC=CN2C3=C1C=CC(=C3)OCC(=O)NN=CC4=CC=CC=C4C(F)(F)F 1 4.697 3 4 0 -8.06165216040813 1484860 CCOC(=O)C1=C2C=CC=CN2C3=C1C=CC(=C3)OCC(=O)NN=CC4=CC=C(C=C4)Cl 1 4.419 3 4 0 -7.42860977347815 1484858 CCOC(=O)C1=C2C=CC=CN2C3=C1C=CC(=C3)OCC(=O)NN=CC4=CC=C(C=C4)C 1 4.241 3 4 0 -9.25060846406497 1484850 CN1C(=C(C(=N1)C(F)(F)F)C#N)N(C)N(S(=O)(=O)C)S(=O)(=O)C 1 0.774 5 4 0 -4.11729477771376 1484849 CCOC(=O)C1=C2C=CC=CN2C3=C1C=CC(=C3)OCC(=O)NN 1 1.412 3 4 0 -7.86866435219111 1484838 COC1=C(C2=CC=CC=C2C=C1)S(=O)NCC3=CC=CC=C3 1 3.618 1 2 2.680344830574 1484832 COC1=CN=C(NC1=O)SCCC(=C(F)F)F 1 0.898 2 2 0 -8.75032829531677 1484812 CSC1=NC=CC(=N1)C2=C(SC(=C2)Cl)Cl 1 3.641 2 0 1.73512203470807 1484782 C1=CC(=CC=C1CC2=C(C=C(C=N2)C(F)(F)F)Cl)OCC(=O)N 1 3.105 2 2 -0.307302435452992 1484779 C1=CC=C(C=C1)OCC2=NOC(=C2)C3=CC(=C(C=C3)Cl)Cl 1 5.204 1 2 2.71624491641338 1484775 C1=CC=C2C=C(C=CC2=C1)OCC3=NOC(=C3)C4=CC=CC=C4Cl 1 5.448 1 2 4.89573659229817 1484774 C1=CC=C(C(=C1)C2=CC(=NO2)COC3=C(C=CC(=C3)Cl)Cl)Cl 1 5.869 1 2 2.09895631692243 1484772 C1=CC=C(C=C1)C2=CC(=NO2)CSC3=CC=C(C=C3)Cl 1 5.098 1 1 6.10334333751061 1484771 C1CN(CCN1CC2=NOC(=C2)C3=CC=CC=C3)C4=CC=CC=C4F 1 4.217 3 1 6.95135287244689 1484770 C1=CC=C2C=C(C=CC2=C1)OCC3=NOC(=C3)C4=CC=C(C=C4)Cl 1 5.448 1 2 6.28067529904494 1484764 CN1CCN(CC1)C2=NC(=NC=C2S(=O)(=O)C)C3=CC=CC=C3 1 1.235 4 2 0 3.3690993445419 1484763 C1CCN(C1)C2=NC(=NC=C2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 3.316 3 2 -1.83451843238481 1484761 CC1=NC(=NC2=C1CCC2)S(=O)(=O)C3=CC(=CC=C3)Cl 1 3.685 2 2 -4.69677467150137 1484760 CC1=NC(=NC2=C1CCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.685 2 2 -4.00199328721875 1484758 CC1=NC(=NC2=C1CCC2)S(=O)(=O)C3=CC=CC(=C3)OC 1 3.005 2 3 -6.29238628215992 1484754 CC1=NC(=NC2=C1CCCC2)N3CCOCC3 1 1.605 3 1 0 -3.98708448181121 1484749 CSC1=NC=C2C(=N1)NC(=NC2=O)C3=CC=CC=C3 1 2.316 4 1 -2.76056088060757 1484747 CCOC(=O)C1=CN=C(N=C1SC2=CC=CC=C2Cl)SC 1 4.64 2 2 -5.13546190582283 1484746 CCOC(=O)C1=CN=C(N=C1N2CCCC2)SC 1 1.86 3 2 0 -4.16590528361157 1484742 CCOC(=O)C1=CN=C(N=C1SC2=C(C=C(C=C2)Cl)Cl)SC 1 5.304 2 2 -1.94107664304459 1484740 CCOC(=O)C1=CN=C(N=C1SC2=C(C=CC(=C2)Cl)Cl)SC 1 5.304 2 2 -1.85714512368986 1484739 CN1C=NC=C1COC(=O)C2=CC=C(C=C2)Cl 1 2.104 2 2 -3.6366090445634 1484733 C1COCCN1C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=C(C=C(C=C4)F)F 1 4.57 3 2 4.58024583056151 1484732 COC(=O)CSC1=NC(=NC2=C1CCCC2)SCC3=CC=CC=C3Cl 1 5.67 2 2 -16.890461057938 1484731 CNC1=NC(=NC2=C1CCCC2)SCC3=CC=CC=C3Cl 1 4.757 3 0 -8.36251958408934 1484728 C1COCCN1C2=CC(=NC(=N2)C3=CC=CC=C3)SC4=CC=C(C=C4)Cl 1 5.382 3 1 6.66379730764649 1484727 COC1=CC(=CC=C1)SC2=NC(=NC(=C2)N3CCOCC3)C4=CC=CC=C4 1 4.701 3 2 3.40416720002982 1484694 CC1=C(C(=CC=C1)C)OC(=O)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C 1 3.867 1 4 -8.466153853282 1484668 C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)C=CS3 1 3.567 2 1 -11.0462546492031 1484666 COC1=CC=C(C=C1)OC2=NC(=NC3=C2SC=C3)SC 1 4.487 2 2 0.600566103065584 1484664 CSC1=NC2=C(C(=N1)OC3=CC4=CC=CC=C4C=C3)SC=C2 1 5.412 2 1 4.01156913315526 1484663 CSC1=NC2=C(C(=N1)OC3=CC=CC=C3)SC=C2 1 4.503 2 1 0.67057487144048 1484661 CSC1=NC2=C(C(=N1)OC3=CC=C(C=C3)Cl)SC=C2 1 5.168 2 1 2.9808075739961 1484658 CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=N2)SCC(=O)O 1 5.266 2 2 -14.2767810053074 1484654 CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCOCC3)C4=CC=CC=C4 1 4.645 3 2 4.06550540718218 1484653 CC1=CC=C(C=C1)SC2=NC(=NC(=C2)N3CCOCC3)C4=CC=CC=C4 1 5.203 3 1 4.84179861705968 1484651 CCOC(=O)CN1C(=O)C=C(C2=C1C(=CC=C2)C)C 1 2.446 1 3 -5.64061738026416 1484634 CN(C)/C=C/C(=O)C1=CC=C(C=C1)OC2=NC=CC=N2 1 2.027 3 2 -0.767956278602388 1484632 COC1=CC=C(C=C1)NS(=O)(=O)/C=C/C2=CC(=C(C=C2)OC)OC 1 2.21 1 5 3.85165193000789 1484620 C1CCCC(CCC1)NC(=O)C2=CC=C(C=C2)F 1 4.014 1 1 -5.70242819288676 1484619 C1CCCC(CCC1)NC(=O)C2=CC(=CC=C2)Cl 1 4.473 1 1 -3.94139177420734 1484616 COC1=C(C=CC(=C1)OC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C=O 1 4.274 2 3 2.38981139892644 1484615 COC1=C(C=C(C=C1)/C=C/S(=O)(=O)NCC2=CC=CC=C2)OC 1 2.233 1 4 -0.102104419071803 1484610 C1=CN=C(N=C1)OC2=CC=C(C=C2)N 1 1.385 3 1 0 0.975201467938022 1484601 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)OCC3=CN=C(S3)Cl 1 2.493 4 3 0 -9.78962364834984 1484591 CC(C)(C)C1=CC=C(C=C1)OCC2=CN=C(S2)Cl 1 4.207 1 1 4.08328613984436 1484590 CC(C)(C)OC(=O)N(CC1=CC=CC=C1)S(=O)(=O)C 1 2.312 1 4 -4.48799744924336 1484584 C1=CC(=CC=C1[N+](=O)[O-])OCC2=CN=C(S2)Cl 1 2.701 2 3 -1.00069585953789 1484583 CC(=O)NC1=CC=C(C=C1)OCC2=CN=C(S2)Cl 1 1.927 2 2 0 -3.98548780656479 1484581 CC1=CC=C(C=C1)CNS(=O)(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.521 1 4 3.32659486732629 1484576 CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)Cl)S(=O)(=O)C 1 2.976 1 4 -1.85118385387694 1484575 COC1=CC=C(C=C1)OCC2=CN=C(S2)Cl 1 2.79 1 2 0.946909210389356 1484572 CC(=O)C(=NNC1=CC=CC(=C1)C(F)(F)F)C(=O)OC 1 2.575 2 3 4.4247250634527 1484547 CSC1=NC(=CC(=N1)Cl)N(CCO)CCO 1 1.61 3 2 0 -1.67178913853792 1484542 CCNC1=CC(=NC(=N1)SC)Cl 1 2.684 3 0 -2.63818633904755 1484540 CC1=CC(=NC(=N1)SCC2=C(C=C(C=C2)Cl)Cl)N3CCOCC3 1 4.078 3 1 -7.42705353000413 1484535 CSC1=NC(=CC(=N1)Cl)NC2=CC=CC=C2N 1 3.33 4 0 -0.60595430486028 1484531 CSC1=NC(=CC(=N1)N2CCOCC2)N3CCOCC3 1 1.272 4 2 0 -2.00671684647326 1484529 C1=CC=C2C=C(C=CC2=C1)SC3=CC(=NC(=N3)N)Cl 1 4.265 3 0 2.21429836333084 1484524 CC(C)(C)C1=CSC(=N1)NC(=O)NC2=CC=CC=C2 1 3.349 3 1 -3.34687814493415 1484523 CC(C)SC1=CC(=NC(=N1)NC(=O)NC2=CC=CC=C2)Cl 1 3.946 4 1 -6.39675677340274 1484522 C1CN(CCC1C(=O)N)C2=CC(=NC(=N2)N)Cl 1 0.874 5 1 0 -1.89549307961738 1484521 C1=CC=C(C=C1)CCNC2=CC(=NC(=N2)N)Cl 1 2.951 4 0 -1.16157208782272 1484520 CC1=CC=C(C=C1)SC2=CC(=NC(=N2)N)Cl 1 3.843 3 0 1.34076463927006 1484515 C1=CC(=C(C(=C1)Cl)CONC(=O)N)F 1 1.463 2 2 0 -1.97799846988577 1484514 C1=CC(=C(C=C1F)Cl)CONC(=O)N 1 1.463 2 2 0 1.68144800023682 1484513 C1=CC=C(C(=C1)CONC(=O)N)F 1 0.798 2 2 0 -0.789832314659398 1484508 C1=CC(=CC=C1CNC(=O)N)Cl 1 1.411 2 1 0 -3.0105638040648 1484507 COC1=C(C=C(C=C1)CNC(=O)N)OC 1 0.714 2 3 0 -9.54744313456833 1484506 C1=CC=C(C(=C1)CNC(=O)N)Cl 1 1.411 2 1 0 -6.19620192513509 1484504 CC1=CC(=C(C=C1)O)C(=O)C2=CN3C4=CC=CC=C4N=C3C(=C2)C#N 1 3.863 3 2 0.644949268926861 1484500 C1=CC(=CN=C1)CNC2=NN3C(=NN=C3C(F)(F)F)C=C2 1 1.51 6 0 0 -6.36491519893939 1484493 CC1=C2C(=C(SC2=NS1)C(=O)C3=CC=C(C=C3)Cl)N 1 3.662 2 1 -0.961312495953953 1484492 CC1=C2C(=C(SC2=NS1)C(=O)C3=CC=C(C=C3)F)N 1 3.203 2 1 -2.07143416107552 1484491 COC(=O)C1=CC(=NN1)C(=O)OC 1 0.704 2 4 0 -5.84923523334508 1484488 CC1=C(C=C(C=C1)N/C=C(\C2=CC(=C(C=C2)OC)OC)/C(=O)C)C 1 3.787 1 3 -6.55262145716339 1484487 CC1=C(C(=O)C=CN1CC2=CC=C(C=C2)OC)CC3=C(C=CC=C3Cl)Cl 1 5.229 1 2 -3.89743145619257 1484484 CC1=C2C(=C(SC2=NS1)C(=O)C3=CC=C(C=C3)Br)N 1 3.746 2 1 -2.41797224105539 1484481 CC1=CC=C(C=C1)C(=O)C2=C(C3=C(SN=C3S2)C)N 1 3.483 2 1 -2.97160778087458 1484470 CC1=C(C(=NS1)SCC(=O)C2=CC=C(C=C2)F)C#N 1 3.408 2 1 -7.35441358398267 1484469 CN1C=CC(=C(C1=O)C#N)C2=CC=CC=C2 1 1.199 2 1 0 -1.89592847920639 1484425 CC1=CC=C(C=C1)N2C(=C(C=N2)Br)C(=O)NC 1 2.79 3 1 -3.96269955029675 1484427 CC(=NOC(=O)C1=CC=CC=C1)C2=CC(=NO2)C3=CC=C(C=C3)Cl 1 4.481 2 3 5.6477699778572 1484428 CC(=NOC(=O)C1CC1)C2=CC(=NO2)C3=CC=C(C=C3)Cl 1 3.575 2 3 1.7553426965631 1484432 CC1=CC=C(C=C1)N2C(=C(C=N2)Cl)C(=O)NCC3=CC=CC=C3 1 4.29 3 1 -4.60318744030515 1484433 CC1=NNC(=NC1=O)C2=CC=C(C=C2)Cl 1 1.679 3 1 0 -4.16439316827944 1484459 CCSC1=NC(=NC(=C1C#N)C2=CC=CS2)N 1 3.034 4 0 -7.44830138213762 1484458 CC(C)SC1=NC(=NC(=C1C#N)C2=CC=CS2)N 1 3.412 4 0 -5.87270961088309 1484457 CC1=CC=C(C=C1)C(=O)NC2=C(C=C(OC2=O)C3=CC=C(C=C3)Cl)C 1 4.157 1 3 -2.56433462826677 1484456 CC1=CC=C(C=C1)C(=O)NC2=C(C=C(OC2=O)C3=CC=CC=C3)C 1 3.493 1 3 -4.86084973516879 1484449 CN1C2=C(C=C(S2)C3=NN=C(N3C)SC)C(=N1)C4=CC=CC=C4 1 4.036 5 0 1.16390998541103 1484445 CC1=C(C(=O)OC(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3 1 3.671 1 3 -3.17168560144232 1484439 CNC(=O)C1=CC2=C(S1)N(N=C2C3=CC=CC=C3)C 1 2.666 3 1 -4.45662367065165 1484437 CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)NC)SC3=CC=C(C=C3)C 1 3.507 3 1 -2.36557295939698 1484420 CN1C(=C(C(=N1)C2=CC=CC=C2)CN3CCN(CC3)C4=NC=CC=N4)Cl 1 2.711 6 0 8.86334672841875 1484414 CC(=O)NCC1=CC(=NO1)C2=CC=C(C=C2)Cl 1 2.1 2 2 -0.690338286487212 1484404 COC1=CC=C(C=C1)C2=NOC(=C2)COC3=CC=CC=C3 1 3.859 1 3 2.61063809283721 1484401 CC1=CC(=NC(=C1S(=O)(=O)C2=CC=CC=C2)N(C)C)C 1 3.252 2 2 -8.61751415715936 1484394 CC1=CC(=NC(=C1S(=O)(=O)C2=CC=CC=C2)N3CCOCC3)C 1 2.939 2 3 -6.84666754262023 1484393 CC1=CC(=NC(=C1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)Cl)C 1 3.28 1 4 -8.09599137846418 1484392 CC1=CC(=NC(=C1S(=O)(=O)C)S(=O)C2=CC=C(C=C2)Cl)C 1 3.184 1 3 -0.491417069622854 1484386 COC1=CC=C(C=C1)C2=NOC(=C2)CNS(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 2.754 2 6 0 -3.26145837077888 1484385 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CC(=NO2)C3=CC=CC=C3 1 2.77 2 5 0 -3.1073479677718 1484383 CC1=CC(=NC(=C1S(=O)(=O)C)SC2=CC=C(C=C2)Cl)C 1 4.296 1 2 -1.34798710218057 1484382 C1=CC=C(C=C1)C2=NOC(=C2)CNS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.467 2 3 1.07186495757092 1484381 C1=CC=C(C=C1)C2=NOC(=C2)CNS(=O)(=O)C3=CC=CC=C3Cl 1 3.467 2 3 -3.07740174632306 1484380 CCCS(=O)(=O)C1=C(C(=CC(=N1)C)C)S(=O)(=O)C 1 1.911 1 4 0 -13.4773714753701 1484379 CCCS(=O)C1=C(C(=CC(=N1)C)C)S(=O)(=O)C 1 1.815 1 3 0 -2.86233588951225 1484372 CC1=C(C(=CC=C1)OCC2=CC(=NO2)C3=CC=CC=C3)C 1 4.848 1 2 4.71439541288879 1484371 COC1=CC=CC=C1OCC2=CC(=NO2)C3=CC=CC=C3 1 3.859 1 3 -1.03025800342218 1484370 C1=CC=C(C=C1)C2=NOC(=C2)COC3=CC(=C(C=C3)Cl)Cl 1 5.204 1 2 3.59001715886163 1484369 CC(C)C(=O)NCC1=CC(=NO1)C2=CC=CC=C2 1 2.565 2 2 -6.6415158797774 1484368 C1=CC=C(C=C1)C2=NOC(=C2)CNS(=O)(=O)C3=CC=CC=C3 1 2.803 2 3 -1.9391748343003 1484367 CC1=CC(=NC(=C1S(=O)(=O)C)S(=O)(=O)CC2=CC=C(C=C2)OC)C 1 2.606 1 5 -11.0387547127247 1484366 CC1=CC(=NC(=C1S(=O)(=O)C)S(=O)CC2=CC=C(C=C2)OC)C 1 2.51 1 4 0.144491782472173 1484365 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=NO2)C3=CC=C(C=C3)OC 1 1.907 3 5 0 -5.42656055481179 1484363 CC(C)C(=O)NCC1=CC(=NO1)C2=CC=C(C=C2)Cl 1 3.23 2 2 -4.34500077287539 1484362 C1=CC(=CC=C1C2=NOC(=C2)CNS(=O)(=O)C3=CC=C(C=C3)Cl)Cl 1 4.132 2 3 0.720062431668565 1484360 COC1=C(C(=NC=C1)N2CCN(CC2)C3=CC=C(C=C3)Cl)C#N 1 2.917 4 1 0.49393436128873 1484359 CC1=CC=C(C=C1)OC2=NC=CC(=C2C#N)OC 1 3.127 2 2 -3.23449898001916 1484358 COC1=C(C(=NC=C1)OC2=CC(=CC(=C2)Cl)Cl)C#N 1 3.97 2 2 -3.51841022355925 1484357 COC1=C(C(=NC=C1)OC2=CC3=CC=CC=C3C=C2)C#N 1 3.549 2 2 -0.381738730273176 1484354 CC1=CC(=C(C=C1)OC2=NC=CC(=C2C#N)OC)C 1 3.613 2 2 -3.63526507931512 1484351 COC1=CC=C(C=C1)C2=CC(=O)N(C2=O)NC3=CC=CC=C3 1 2.872 2 3 1.86870163748977 1484343 COC1=C(C(=NC=C1)OC2=CC=CC=C2)C#N 1 2.641 2 2 -3.72273299198796 1484342 COC1=CC=C(C=C1)OC2=NC=CC(=C2C#N)OC 1 2.624 2 3 -3.69501186008847 1484341 COC1=C(C(=NC=C1)OC2=CC=C(C=C2)F)C#N 1 2.846 2 2 -2.5226219545539 1484340 C1=CC=C(C=C1)NN2C(=O)C=C(C2=O)C3=CC=C(C=C3)Cl 1 3.553 2 2 4.10366653722073 1484338 C1=CC=C(C=C1)C2=CC(=O)N(C2=O)NC3=CC=CC=C3 1 2.889 2 2 1.51411996827047 1484336 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2CC[N+](=O)[O-] 1 2.101 3 4 0 -7.94267265255016 1484319 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2CC[N+](=O)[O-] 1 2.98 2 3 -5.07782205118267 1484305 COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.353 1 6 0 -10.2473250092758 1484302 CC(=O)C1=CN(C(=O)NC1=O)CC=C 1 -0.499 2 3 0 -11.809460693651 1484294 CSC1=NC(=CC(=N1)Cl)N2CCOCC2 1 2.376 3 1 -3.33868597288005 1484290 C1=CC(=CC=C1N)SC2=CC(=NC(=N2)N)Cl 1 2.61 4 0 1.85265811749348 1484288 C1COCCN1C2=CC(=NC(=N2)N)Cl 1 1.088 4 1 0 -3.55519582407208 1484287 CCN(CC)C1=CC(=NC(=N1)N)Cl 1 2.098 4 0 -3.25321401734066 1484284 CCCN(CCC)C1=CC(=NC(=N1)N)Cl 1 3.145 4 0 -3.82703093886333 1484275 C1=CC(=CC=C1CCNC2=CC(=NC(=N2)N)Cl)O 1 2.709 4 1 1.53311692809602 1484272 COC1=C(C=C(C=C1)NC2=CC(=NC(=N2)N)Cl)OC 1 2.755 4 2 -3.19145364529078 1484267 C1=CC(=CC=C1F)SC2=CC(=NC(=N2)N)Cl 1 3.562 3 0 2.05264166473531 1484261 CC(=O)C1=CC=C(C=C1)N2CC(C2=O)(C)C 1 1.709 1 2 0 -4.69054388572543 1484255 CCOC(=O)C1=C(N(C(=O)C(=C1C2=CC=C(C=C2)Cl)C#N)N)N 1 1.111 4 3 0 -6.05927847701406 1484244 C1=CC(=CC=C1C=NNC(=O)CC#N)Cl 1 1.743 3 1 0 -9.00625078584581 1484240 CC1=C(SN=N1)C(=O)NC2=C(C=C(C=C2)Cl)Cl 1 3.062 3 1 -8.53032457870793 1484239 CS(=O)(=O)C1=CC=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.565 3 5 0 -2.84300582739065 1484238 CS(=O)C1=CC=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.469 3 4 0 5.6384801763264 1484237 C1CC(=NN(C1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.789 2 1 -0.778311810550161 1484236 CC1=CC=C(C=C1)C(=O)N2CCCC(=N2)C3=CC=CC=C3 1 3.611 2 1 -2.60031050113698 1484235 COC1=CC=C(C=C1)C(=O)N2CCCC(=N2)C3=CC=CC=C3 1 3.108 2 2 -3.01327671028112 1484233 C1CC1C(=O)NC2=CC=CN3C2=NN=C3C(F)(F)F 1 1.547 4 1 0 -5.7983681892868 1484232 CC(C)(C)C(=O)NC1=CC=CN2C1=NN=C2C(F)(F)F 1 2.336 4 1 -13.5347602578774 1484231 CC(C)C(=O)NC1=CC=CN2C1=NN=C2C(F)(F)F 1 1.919 4 1 0 -11.3643965130768 1484229 CS(=O)(=O)C1=CC=CC=C1C2=NC(=NO2)C3=CC(=CC=C3)Cl 1 3.335 2 3 2.63762402684098 1484228 CS(=O)C1=CC=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)Cl 1 3.239 2 2 9.55487665427045 1484227 CS(=O)C1=CC=CC=C1C2=NC(=NO2)C3=CC(=CC=C3)Cl 1 3.239 2 2 11.119110030558 1484210 CCSC1=NN=C(O1)C2=CC=CC=C2SC 1 3.103 2 1 -10.9424280141196 1484203 CS(=O)C1=CC=CC=C1COC(=O)NC2=CC(=CC=C2)Cl 1 3.271 1 3 3.05876217903525 1484202 CC1=CC=C(C=C1)NC(=O)OCC2=CC=CC=C2S(=O)C 1 3.093 1 3 0.40728714885458 1484197 CCOC(=O)COC1=C(C=C(C(=C1)N2C(=O)C3=CC=CC=C3NC2=S)Cl)Cl 1 5.086 2 4 -12.780948695058 1484193 CC(C)OC1=C(C=C(C(=C1)N2C(=O)C3=CC=CC=C3NC2=S)Cl)Cl 1 5.757 2 2 -6.54428522496173 1484191 CC1=CC=C(C=C1)C2=NC(=NO2)C(=O)OC 1 1.968 2 3 0 0.693685446750846 1484190 CC1=C(OC(=N1)C2=CC=C(C=C2)Cl)C(=O)OC 1 2.746 1 3 5.86940417414593 1484186 CCOC(=O)C1=NN(C(=N1)C)C2=CC(=C(C=C2Cl)Cl)OC 1 3.251 3 3 -4.73708823174226 1484183 CCOC(=O)COC1=C(C=C(C(=C1)N2C(=O)CSCC2=O)Cl)Cl 1 2.475 1 5 -9.59411568776167 1484180 CC1=NN=C(S1)NC2=CC(=C(C=C2Cl)Cl)OC 1 2.79 3 1 -5.45232777161707 1484170 CC1=C(OC(=N1)C2=CC=CC=C2)C(=O)NC 1 1.434 2 2 0 0.80689035294351 1484169 CC1=CC2=C(C=C1)NC(=S)N(C2=O)C3=CC(=C(C=C3Cl)Cl)OC 1 5.517 2 2 -4.48165854147961 1484157 C1=CC(=C(C=C1Cl)Cl)C(=O)C2=CC=C(S2)CC(=O)O 1 4.472 0 3 0.125230000319166 1484141 C1=CC=C(C=C1)C2=NC(=O)C=C(N2)CSC3=CC=CC=C3 1 3.272 2 1 -5.32178139327596 1484139 CS(=O)(=O)C1=CC=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)Cl 1 3.244 2 3 -2.90318138944099 1484136 CSC1=CC=CC=C1C2=NN=C(O2)C3=C(C=C(C=C3)Cl)Cl 1 4.924 2 1 1.02266312060683 1484135 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3SC 1 4.082 2 1 -1.40157956714305 1484134 CSC1=CC=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)Cl 1 4.26 2 1 0.420419123443765 1484133 CSC1=CC=CC=C1C2=NN=C(O2)C3=CC=CC=C3 1 3.596 2 1 -2.04450898047066 1484130 CSC1=CC=CC=C1C2=NN=C(O2)C3=CC(=C(C=C3)Cl)Cl 1 4.924 2 1 -0.36342699482145 1484125 COC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NN=C(S2)C(F)(F)F 1 1.798 3 4 0 -11.6465600118401 1484103 CCOC(=O)N1C2=C(C=CC(=C2)Cl)N(C1=O)C 1 2.545 2 3 -2.09835763991727 1484102 CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)F 1 3.669 2 3 -1.12695488043427 1484101 CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)OC 1 3.447 2 4 -2.18075516640862 1484099 CCOC(=O)N1C2=C(C=CC(=C2)Br)N(C1=O)CC=C 1 3.246 2 3 -6.28482956615028 1484098 CCOC(=O)N1C2=C(C=CC(=C2)Br)N(C1=O)C 1 2.629 2 3 -3.37642363377768 1484097 CCOC(=O)N1C2=C(C=CC(=C2)Br)NC1=O 1 2.423 2 3 -2.77280730183081 1484095 CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=CC(=CC=C3)F 1 3.669 2 3 -0.493447061689277 1484094 CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3Cl 1 4.128 2 3 -2.63746246282658 1484093 CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=C(C=CC=C3Cl)Cl 1 4.793 2 3 -3.98359190404997 1484092 CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=CC(=C(C=C3)Cl)Cl 1 4.793 2 3 -0.279106972283084 1484091 CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=CC=CC(=C3)C 1 3.95 2 3 -1.10604787446543 1484090 CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3C 1 3.95 2 3 -3.62832763521684 1484088 CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=C(C=C(C=C3)Cl)Cl 1 4.793 2 3 7.84774078225053e-002 1484087 CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C 1 3.95 2 3 -1.83883190589953 1484086 CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3 1 3.464 2 3 -2.82205980769153 1484085 C1COCCN1C2=NC3=CC=CC=C3C=C2C4=CC=C(C=C4)Cl 1 3.968 2 1 6.69731742033721 1484079 C1=CC2=NC=C(N2C=C1)C(=O)C3=CC=C(C=C3)Cl 1 3.067 2 1 -1.29089923365987 1484078 CC1=NNC(=NC1=O)C2=CC=CC=C2 1 1.014 3 1 0 -6.46090827518146 1484050 CC1=CC(=NC(=N1)NC(=O)C2=C(ON=C2C(=O)O)C)C 1 0.58 4 4 0 -14.258932561471 1483987 CCOC(=O)CSC1=NC=C(C=N1)C2=CC=CC=C2 1 2.688 2 2 -6.48861347218656 1483985 CCOC(=O)CSC1=NC=C(C=N1)C2=CC(=CC=C2)Cl 1 3.352 2 2 -2.26015489825507 1483835 CC1=CC(=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2F)C 1 1.648 1 3 0 -14.4138339063178 1483839 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(N(C2=O)CC(=C)C)C)C 1 3.198 1 3 -13.4339161734674 1483842 CC1=CC(=CC=C1)S(=O)(=O)C2=C(C=C(N(C2=O)CC(=C)C)C)C 1 3.198 1 3 -12.9330495918175 1483845 CCOC(=O)CN1C2=C(C=C(C(=C2)C)C)N=C1C3=C(N=CC=C3)Cl 1 4.227 3 2 -4.63296988623511 1483847 CC1=CC=CC=C1S(=O)(=O)C2=C(C=C(N(C2=O)C)C)C 1 2.135 1 3 -8.59403876661163 1483852 CC1=CC(=CC(=C1O)C)C(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl 1 4.006 0 4 -3.94189395545137 1483856 CC1=CC=CC=C1S(=O)(=O)C2=C(C=C(N(C2=O)CC(C)C)C)C 1 3.327 1 3 -11.9807602969242 1483857 CC1=CC=CC=C1S(=O)(=O)C2=C(C=C(N(C2=O)C(C)C)C)C 1 2.861 1 3 -10.0392941968112 1483872 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC(=C(C(=C2)C)O)C 1 3.828 0 4 -5.952189240372 1483871 CC1=CC=C(C=C1)SCC2=NC3=CC=CC=C3N2CC(=O)NC4=CC=CC=C4 1 4.992 3 1 -4.0794115144075 1483869 CC1=CC=C(C=C1)SCC(=O)C2=CC(=C(C(=C2)C)O)C 1 4.844 0 2 0.81646398458717 1483865 CC1=CC=C(C=C1)SCC2=NC3=CC=CC=C3N2 1 4.15 2 0 0.672986861790604 1483859 CC1=CC(=CC(=C1OC(=S)N(C)C)C)C(=O)CSC2=CC=C(C=C2)Cl 1 6.657 1 2 -0.1171919486057 1483828 CCN(CC)S(=O)(=O)C1=CC=C(S1)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.16 2 2 -1.52911217261518 1483825 C1=CC(=CN=C1)C2=NC=C(C=N2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 2.923 4 0 9.13460624639103 1483822 C1=CN=CC=C1C2=NC=C(C=N2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 2.923 4 0 11.7276141882894 1483821 C1=CC=NC(=C1)C2=NC=C(C=N2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.352 4 0 10.165227775136 1483813 CN(/C=C\1/C2=CC=CC=C2NC1=O)O 1 0.159 2 2 0 -4.55743121523643 1483803 CC1=NN=C(C2=CON=C12)C3=CC=C(C=C3)OC 1 2.216 3 2 0.194849940114411 1483792 COC1=CC=CC(=C1)NC=C2C(=O)CCCC2=O 1 1.549 1 3 0 -6.96393536843801 1483782 C1=CC(=CC=C1C2=C3C=C(C=CC3=NO2)C=NO)Cl 1 3.921 2 2 7.53265770248045 1483781 CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C4OCCO4 1 3.608 1 3 2.50105546930642 1483770 C1CN(CCN1C2=CC=CC=C2Cl)C(=N)CC#N 1 1.987 4 0 0 -2.36648670456078 1483761 CN(C)/C=C/C(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3 1 3.325 2 2 3.22095228483904 1483756 C1CN(CCC1=CC(=O)NNC(=O)NC2=CC=C(C=C2)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.49 5 2 0 0.443093238026626 1483755 C1CN(CCC1=CC(=O)NN)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.386 4 1 1.00662523525028 1483750 C1=C(C=NC(=C1Cl)NC(=S)N)C(F)(F)F 1 3.075 3 0 3.93447002873687 1483745 COC1=CC=C(C=C1)N2C3=C(C=C2C4=CC=CC=C4)C(=O)CCC3 1 4.891 1 2 0.666526120134217 1483737 COC(=O)C1=C(SC2=C1CCN(C2)C3=C(C=C(C=N3)C(F)(F)F)Cl)N 1 3.618 3 2 -2.05905593002477 1483733 CC(=O)CC(=O)NC1=C(C=C(C=N1)C(F)(F)F)Cl 1 1.856 2 2 0 1.18681939942657 1483732 C1CN(CCC1OC(=O)C2=CC=CC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.463 2 2 -3.15325388494291 1483731 C1=CN(N=C1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 1.58 3 4 0 -3.71387873077015 1483729 C#CCN1C2=CC=CC=C2SC3=C1N=CC=C3 1 4.455 2 0 -0.510728686476152 1483727 CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)NC3=CC=C(C=C3)Br 1 3.167 3 1 -1.33619582043698 1483726 CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)NC3=CC=C(C=C3)Cl 1 3.083 3 1 0.120463924664461 1483725 COC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-] 1 1.122 4 4 0 -11.7623104680739 1483724 C1=CC(=CC(=C1)C(F)(F)F)C2=CSC(=N2)C3=CC=C(C=C3)C(=O)O 1 4.729 1 2 9.79092293490142 1483723 COC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=C(C=C3)C(=O)O 1 3.77 1 3 3.56119540387764 1483722 CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)NC3=C(C=C(C=C3)F)F 1 2.829 3 1 -3.3132266116652 1483717 CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F 1 3.36 3 1 -0.117837157268121 1483716 CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.36 3 1 0.554814318499535 1483715 CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)Cl 1 3.083 3 1 -1.8916053540136 1483714 CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)N 1 0.636 3 1 0 -1.9047483109591 1483711 C1=CC(=CC=C1NC(=O)C2=CSC(=N2)C3=CC=NC=C3)Br 1 3.021 3 1 -1.20858171057016 1483710 CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)NC 1 0.842 3 1 0 -5.96440638306732 1483698 C1=CC(=C(C=C1F)F)NC(=O)C2=CSC(=N2)C3=CC=NC=C3 1 2.684 3 1 -1.17354322312032 1483697 C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=CSC(=N2)C3=CC=NC=C3 1 3.215 3 1 2.02184623127676 1483696 CNC(=O)C1=CSC(=N1)C2=CC=NC=C2 1 0.696 3 1 0 -3.21161175703372 1483692 CNC(=O)C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=CC=C3 1 3.365 2 1 -0.304849818702415 1483690 C1=CC(=CC(=C1)NC(=O)C2=CSC(=N2)C3=CC=NC=C3)C(F)(F)F 1 3.215 3 1 2.79189193356919 1483684 C1=CC=C(C=C1)C2=CSC(=N2)C3=CC=C(C=C3)C(=O)O 1 3.787 1 2 4.33824877156495 1483683 C1=CC(=CC=C1NC(=O)C2=CSC(=N2)C3=CC=NC=C3)Cl 1 2.937 3 1 0.248078034531281 1483674 C1=CC(=CC=C1C2=NC(=CS2)C3=C(C=C(C=C3)Cl)Cl)C(=O)O 1 5.116 1 2 7.68289773470902 1483672 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NC 1 1.992 2 1 0 -3.76966009526211 1483671 CC1=C(SC(=N1)C2=CC(=CC=C2)C(F)(F)F)C(=O)O 1 3.356 1 2 3.40918963718953 1483667 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)NC 1 2.657 2 1 -1.47314498836009 1483659 CC1=NC(=C(S1)C(=O)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(F)(F)F 1 4.893 3 3 1.03265893418369 1483656 CC1=NC(=C(S1)C(=O)NC(=O)NC2=CC=CC=C2)C(F)(F)F 1 2.773 3 2 -0.990118095011196 1483620 CC1=C(C=C(C(=O)O1)NC(=O)C2=CC=CC=C2)C(=O)N 1 0.288 2 4 0 -9.70354952659229 1483619 C1C2=CC=CC=C2C(=O)N(C1=O)OCC3=C(C=C(C=C3)Cl)Cl 1 3.655 1 3 1.97018226795877 1483615 C1C2=CC=CC=C2C(=O)N(C1=O)OCC3=CC=C(C=C3)Cl 1 2.991 1 3 0.742682611226392 1483614 C1CC2=CN=C(N=C2C3=CC=CC=C31)NC(=O)C4=CC=CC=C4 1 3.904 3 1 -2.24523579257197 1483611 C1CN(CCN1C2=CC=CC=C2)C(=O)CNC(=O)C3=CC=C(C=C3)Cl 1 2.597 3 2 -5.77237564041444 1483610 C1CN(CCN1C2=CC=CC=C2)C(=O)CNC(=O)C3=CC=CC=C3 1 1.933 3 2 0 -8.68305336055885 1483607 CC(=O)C1=CN(C(=O)NC1=O)C 1 -1.116 2 3 0 -8.34878523851524 1483604 CC1=CC=C(C=C1)C(=O)OCCN2C=C(C(=O)NC2=O)C#N 1 1.023 3 4 0 -14.1408607333729 1483603 C1=CC(=CC(=C1)C(F)(F)F)C(=O)OCCN2C=C(C(=O)NC2=O)C#N 1 1.479 3 4 0 -11.7776551742509 1483597 C1C2=CC=CC=C2N=C(S1)NCC3=CN=CC=C3 1 2.598 3 0 -7.72505777200576 1483595 C1=CC=C2C(=C1)C(=O)N=C(N2)CC3=CC=C(C=C3)Cl 1 3.192 2 1 -2.40919158394846 1483594 COC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3CS2 1 3.732 2 1 -5.51774035421581 1483593 CC1=CC=C(C=C1)N2C3=C(C=CC=N3)C(=O)N2 1 2.464 3 1 0.546378072974591 1483592 C1=CC2=C(N=C1)N(NC2=O)C3=CC=C(C=C3)F 1 2.183 3 1 1.25825509843984 1483589 C1=CC=C(C=C1)N2C3=C(C=CC=N3)C(=O)N2CC4=C(C=CC=C4Cl)Cl 1 5.096 3 1 -3.48601589068798 1483588 C1=CC=C(C=C1)N2C3=C(C=CC=N3)C(=O)N2CC4=CC=C(C=C4)Cl 1 4.431 3 1 1.04132469639166 1483584 COC1=C(C=C(C=C1)NC(=O)C2=CC=CN(C2=O)CC=C)OC 1 1.21 2 4 0 -17.3573942823597 1483582 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CN(C2=O)CC=C 1 1.21 2 4 0 -14.5982761640634 1483581 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=CN(C2=O)CC=C 1 1.194 2 5 0 -17.1237356506003 1483572 COC1=CC(=CC(=C1)NC(=O)C2=CC=CN(C2=O)CC=C)OC 1 1.21 2 4 0 -15.3892288559329 1483571 COC1=CC(=C(C=C1)NC(=O)C2=CC=CN(C2=O)CC=C)OC 1 1.21 2 4 0 -16.5056440427303 1483570 C1=CC(=CC(=C1)Cl)N2C3=C(C=CC=N3)C(=O)N2 1 2.642 3 1 2.9202266283386 1483567 C1=CC2=C(N=C1)N(NC2=O)C3=CC=C(C=C3)Cl 1 2.642 3 1 2.36837676356141 1483566 COC1=CC=C(C=C1)NC(=O)C2=CC=CN(C2=O)CC=C 1 1.227 2 3 0 -12.4402417424709 1483565 C1=CC(=C(N=C1)Cl)C(=O)NNC2=C(C=CC(=C2)Cl)Cl 1 3.688 3 1 0.29811180230196 1483534 COC(=O)C1=NN(C(=O)C=C1SC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.044 2 3 -0.519843861972959 1483533 C1=CC(=C(C=C1Cl)Cl)N2C(=CC(=O)C(=N2)C(=O)N)O 1 2.588 3 3 1.4873971856985 1483532 CN1C=C(C=C1C(=O)O)C(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.783 1 3 2.2768350979712 1483527 CN(C)/C=C(/C(=O)C1=CC(=C(C=C1)Cl)Cl)\S(=O)(=O)C 1 2.283 1 3 -2.35447644494347 1483523 CN(C)/C=C(/C(=O)C1=CC=C(C=C1)Cl)\S(=O)(=O)C 1 1.619 1 3 0 -3.39023320939722 1483512 C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)CS(=O)CC4=CC=C(C=C4)Br 1 6.269 3 1 -3.8829998381291 1483511 COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CS(=O)CC4=CC=C(C=C4)Br 1 5.46 3 3 -9.69740153569425 1483510 C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)F)CS(=O)CC4=CC=C(C=C4)Br 1 6.475 3 1 -7.34324051575633 1483507 CSC1=NN=C(N1C2=CC=CC=C2)CSCC3=C(C=C(C=C3)Cl)Cl 1 5.714 3 0 -5.0875620509956 1483505 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)C3=CC=CS3 1 4.053 1 3 -6.8569219696749 1483502 COC1=C(SC=C1)C(=O)NC2=C(C=C(C=C2)F)F 1 2.962 1 2 -5.51948698403379 1483498 C1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=C(C=C(C=C3)Cl)Cl 1 5.407 3 0 -6.15419994790177 1483494 CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)Cl)CS(=O)CC3=C(C=C(C=C3)Cl)Cl 1 6.286 3 1 -6.13609292612443 1483490 CC1=CC=C(C=C1)CSC2=NN=C(N2C)CS(=O)CC3=C(C=C(C=C3)Cl)Cl 1 5.095 3 1 -3.4083261516662 1483486 C1=CC(=C(C=C1Cl)Cl)CSCC(=O)NN 1 2.069 2 1 -5.77267892060147 1483482 CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CS(=O)CC3=C(C=CC=C3Cl)Cl 1 5.273 3 1 -6.36658141438565 1483473 CC(C)(C)C1=CC=C(C=C1)COC2=C(SC=C2)C(=O)O 1 4.38 0 3 -2.01571497228999 1483456 CN(C)/C=C(/C(=O)C1=CC=CC=C1Cl)\S(=O)(=O)C2=CC=CC=C2 1 3.195 1 3 -6.0031601210413 1483453 C1=CC=C(C=C1)N2C(=C(C=N2)S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 5.174 2 2 -3.41369683210632 1483452 COC1=CC=C(C=C1)C2=C(C=NN2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 4.952 2 3 -4.53854006671571 1483451 CN(C)/C=C(/C(=O)C1=CC=C(C=C1)F)\S(=O)(=O)C2=CC=C(C=C2)F 1 2.942 1 3 -5.7166567356805 1483446 CN(C)/C=C(/C(=O)C1=CC=C(C=C1)OC)\S(=O)(=O)C2=CC=CC=C2 1 2.515 1 4 -6.9111906673085 1483439 COC1=CC=C(C=C1)N2C(=C(C=N2)S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 5.616 2 3 -1.75701740349301 1483408 C1=CC=C(C=C1)N2C(=C(C=N2)S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 5.633 2 2 -2.30357516698475 1483403 CN(C)/C=C(/C(=O)C1=CC=C(C=C1)Cl)\S(=O)(=O)C2=CC=CC=C2 1 3.195 1 3 -4.67622576757754 1483400 COC1=CC=C(C=C1)NC(=O)CS(=O)C2=CC(=CC=C2)Cl 1 2.544 1 3 1.32578726910343 1483390 C1=CC(=CC=C1C(=O)O)NC(=O)CSCC(=O)O 1 0.542 1 5 0 -12.0257930599793 1483387 CC1=C(N=C(C(=C1C2=CC=CC=C2Cl)C#N)N)C 1 3.302 3 0 -0.947116172964642 1483382 CNC(=O)C1=CC=C(S1)C2=CC=C(C=C2)OC 1 2.784 1 2 -5.54327039043865 1483381 COC1=CC=C(C=C1)C2=CC=C(S2)C(=O)NC3=CC=C(C=C3)OC 1 4.345 1 3 -3.27879936310743 1483350 CN1C(=CN=C1SC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N3CCOCC3 1 2.971 4 2 -3.52152077581034 1483349 CN1C(=CN=C1SC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N 1 2.872 4 1 1.05167524418334 1483324 C1=CC=NC(=C1)C(=O)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.396 2 1 0.758803562010504 1483299 COC1=CC=C(C=C1)C(=O)N2CCOC23CCN(CC3)C4=NC=CC=N4 1 1.356 4 3 0 -2.90389957872725 1483280 C1=CC(=CC=C1C2=CN(C(=O)C=N2)O)Cl 1 1.078 2 2 0 1.9739806486123 1483278 C1=CC=C(C=C1)C2=CN(C(=O)C(=N2)C3=CC=CC=C3)O 1 2.166 2 2 -2.1708223202184 1483268 CNC1=NC(=CC(=N1)SC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F 1 4.879 3 0 2.21192840689824 1483267 CC1=CC=C(C=C1)SC2=NC(=NC(=C2)C(F)(F)F)NC 1 4.423 3 0 1.61239865696697 1483266 CNC1=NC(=CC(=N1)SC2=CC=CC=C2)C(F)(F)F 1 3.936 3 0 0.689233431650855 1483263 CC(C)NC1=NC(=CC(=N1)OC2=C(C(=CC=C2)Cl)Cl)C(F)(F)F 1 5.433 3 1 -2.31702612583998 1483262 CC(C)NC1=NC(=CC(=N1)OC2=C(C=C(C=C2)Cl)Cl)C(F)(F)F 1 5.433 3 1 -0.668697278648322 1483251 CC(C)NC1=NC(=CC(=N1)OC2=CC=C(C=C2)Cl)C(F)(F)F 1 4.769 3 1 0.383671210343164 1483248 CCNC1=NC(=CC(=N1)OC2=CC=C(C=C2)F)C(F)(F)F 1 3.933 3 1 2.00831637211935 1483244 COC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=CC=CC=C3 1 2.245 3 2 0.172542437518114 1483239 CC(C)OC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=CC=CC=C3F 1 3.177 3 2 -2.40348718581245 1483238 CC(C)OC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.177 3 2 -2.26482150686126 1483231 CCNC1=NC(=CC(=N1)OC2=CC=C(C=C2)C#N)C(F)(F)F 1 3.606 4 1 -1.05052613695375 1483227 CCNC1=NC(=CC(=N1)OC2=C(C=C(C=C2)Cl)Cl)C(F)(F)F 1 5.056 3 1 2.34484321431227 1483219 CCNC1=NC(=CC(=N1)SC2=CC=C(C=C2)C)C(F)(F)F 1 4.771 3 0 2.26531061225523 1483213 CCNC1=NC(=CC(=N1)OC2=C(C=CC=C2Cl)Cl)C(F)(F)F 1 5.056 3 1 1.7254072499554 1483205 CCNC1=NC(=CC(=N1)OC2=CC=C(C=C2)OC)C(F)(F)F 1 3.711 3 2 1.01697023237323 1483199 CC1=CC=C(C=C1)C2=[N+](C(CC2)(C)C)[O-] 1 2.225 1 1 2.26578277437671 1483198 CC1=CC=C(C=C1)S(=O)(=O)CCCS(=O)(=O)C2=CC=C(C=C2)C 1 3.565 0 4 -8.73152906189774 1483197 CC1=CC=C(C=C1)S(=O)CCCS(=O)C2=CC=C(C=C2)C 1 3.373 0 2 1.77384226310777 1483189 CC1=CC(=CC=C1)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.754 1 0 5.32304153885243 1483168 C1=C(C=NC(=C1Cl)C2=CN=C(N=C2)N)C(F)(F)F 1 2.228 4 0 7.49479054739484 1483149 CN(C)/C=C(\C=O)/C1=C(C=C(C=N1)C(F)(F)F)Cl 1 2.335 2 1 3.35794788362798 1483143 C1=CC=C(C=C1)C(=O)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.118 1 1 1.67358928588433 1483135 C1=CC=C(C=C1)C(=O)NCC(=O)NC2=C(SC=C2)C(=O)O 1 1.257 2 4 0 -16.3037460689996 1483133 CC1=NC(=NC=C1)N/C=C(\C(=O)NN)/NC(=O)C2=CC=CC=C2 1 -0.81 6 2 0 -14.4727592425197 1483132 C1=CC(=CC=C1C(F)(F)F)NCC2=C(SN=N2)Cl 1 3.383 3 0 2.96590267367865 1483131 C1=CC(=CC=C1NCC2=C(SN=N2)Cl)Cl 1 3.105 3 0 0.3760054754147 1483126 C1CC2=CN=C(N=C2C3=CC=CC=C31)NC(=O)C4=CC=C(C=C4)Cl 1 4.569 3 1 0.540823462536602 1483124 CON1C2=C(N=CC=C2)N=C1C3=CC=C(C=C3)Cl 1 0.893 3 1 0 3.33453003941197 1483116 CON1C2=C(N=CC=C2)N=C1C3=CC=CC=C3 1 0.228 3 1 0 0.940620705985168 1483113 C1=CC=C(C=C1)C2=NC3=C(N2O)C=CC=N3 1 0.189 3 1 0 1.83519598880554 1483112 CC1=CC=C(C=C1)C2=NC3=C(N2O)C=CC=N3 1 0.675 3 1 0 2.40710663164552 1483104 CN(C)C(=O)ON1C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC 1 1.153 3 3 0 0.788022359820769 1483083 CCOC(=O)CC1=NC(=NN1)C2=CC=C(C=C2)Cl 1 2.52 3 2 -0.540328760403026 1483065 CC1=CC(=NC(=N1)ON=C(C)C2=CC=C(C=C2)F)C 1 2.952 3 1 -1.66042762648208 1483062 CCOC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=C(C=C2)C)C(F)(F)F 1 2.635 1 5 -7.57887828052214 1483057 CC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCCC3=O)OC2=O 1 1.865 1 4 0 -12.7863696019992 1483056 CC1=CC=C(C=C1)C(=O)NC2=CC(=C(OC2=O)C)C(=O)C 1 1.502 1 4 0 -9.46228173242467 1483054 CCOC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3 1 3.211 1 5 -8.58867629437199 1483053 CCOC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC(=CC=C2)Cl)C3=CC=CC=C3 1 3.389 1 5 -6.2131570767521 1483052 CC1=C(C=C(C(=O)O1)NC(=O)C2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3 1 3.355 1 4 -6.00168688047964 1483050 CC1=CC(=NN1)C2=C(NN(C2=O)C3=CC=CC=C3)C 1 1.509 4 1 0 -5.16251224259145 1483049 C1CC2=C(C=C(C(=O)O2)NC(=O)C3=CC(=CC=C3)Cl)C(=O)C1 1 2.043 1 4 -10.3134561578546 1483043 C1=CC(=C(C(=C1)Cl)CN2C=C(C=C(C2=O)[N+](=O)[O-])C(F)(F)F)Cl 1 3.439 2 3 -3.22347116153242 1483027 C1=CC=C(C(=C1)S(=O)(=O)NC2=CN(C(=O)C=C2)CC3=CC(=C(C=C3)Cl)Cl)Cl 1 3.65 2 3 -3.83880597699322 1483026 CC1=CC=C(C=C1)S(=O)(=O)NC2=CN(C(=O)C=C2)CC3=CC(=C(C=C3)Cl)Cl 1 3.472 2 3 -1.2627603709101 1483025 C1=CC(=CC=C1S(=O)(=O)NC2=CN(C(=O)C=C2)CC3=CC(=C(C=C3)Cl)Cl)Cl 1 3.65 2 3 -0.256890681841758 1483024 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CN(C(=O)C=C2)CC3=CC(=C(C=C3)Cl)Cl 1 2.106 3 4 0 -6.00073739987705 1483022 C1=CC=C(C=C1)S(=O)(=O)NC2=CN(C(=O)C=C2)CC3=CC(=C(C=C3)Cl)Cl 1 2.986 2 3 -2.15877001014626 1483017 COC(=O)NC1=CN(C(=O)C=C1)CC2=C(C=CC=C2Cl)Cl 1 2.262 2 3 -6.94015478747485 1483011 CC1=C(SN=N1)S(=O)(=O)CC2=CC=CC=C2Cl 1 2.555 2 2 -7.05783084668762 1482995 CC1=C(SN=N1)S(=O)(=O)C2=CC=CC=C2 1 1.884 2 2 0 -9.99816177395243 1482994 CC1=C(SN=N1)S(=O)C2=CC=CC=C2Cl 1 2.453 2 1 -0.208960896084835 1482971 C1=CC=C(C=C1)NC(=O)C2=CN(C(=O)C=C2)CC3=CC(=CC=C3)Cl 1 2.874 2 2 -2.10253830683182 1482967 C1=CC=C(C=C1)CNC(=O)C2=CC=CN(C2=O)CC3=CC(=CC=C3)Cl 1 2.881 2 2 -8.72399060819364 1482949 C1=CC(=CC=C1CC2=NNC(=O)C=C2)Cl 1 2.137 2 1 -6.52597907596626 1482943 C1=CC=C2C(=C1)C(=NNC2=O)CNC3=CC=C(C=C3)O 1 1.916 3 2 0 -8.79130396913401 1482942 C1=CC(=CC=C1CONC2=NC=C(C=N2)C#N)Cl 1 1.881 4 1 0 0.219305505233901 1482933 CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 0.754 4 6 0 -12.936734737833 1482928 CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C3=CC=CC=C3F 1 1.009 4 3 0 -9.48433940498105 1482926 CC(C)(C)C1=NN2C=CC(=C(C2=N1)C#N)C3=CC=C(C=C3)Cl 1 4.189 4 0 1.02595023913242 1482922 C1CCC(CC1)C2=NN3C=CC(=C(C3=N2)C#N)C4=CC=C(C=C4)Cl 1 4.769 4 0 0.805886997796259 1482921 CC1=NN(C(=C1C(=O)NCC(=O)NCC2=CC=C(C=C2)OC)Cl)C 1 1.056 4 3 0 -14.4710915732428 1482920 CC1=CC=C(C=C1)CNC(=O)CNC(=O)C2=C(N(N=C2C)C)Cl 1 1.559 4 2 0 -14.2464219584325 1482919 CC1=NN(C(=C1C(=O)NCC(=O)NC2=CC=C(C=C2)C(C)C)Cl)C 1 2.26 4 2 -11.2970870534445 1482915 CC1=NN2C=CC(=C(C2=N1)C#N)C3=CC=C(C=C3)Cl 1 2.643 4 0 0.64162331912979 1482913 CC1=NC2=C(C=NN2C3=C1CCN3CC(OC)OC)C#N 1 0.978 5 2 0 -14.3573838088582 1482887 CC(C)(C)C(=O)NC1=CC=CC2=C1C=NN2 1 2.14 3 1 -13.8552930965724 1482886 C1=CC2=C(C=NN2)C(=C1)NC(=O)C3=CC=C(C=C3)F 1 2.464 3 1 -7.30436263199134 1482877 CS(=O)(=O)NC1=CC=C(C=C1)C2=CN3C=CC=NC3=N2 1 1.043 4 2 0 -2.4356339642088 1482870 CC1=C(C2=CC=CC=C2C=C1)NC(=O)C3=CC=CO3 1 3.404 1 2 -0.98261919509903 1482860 C1CCC(CC1)C(=O)NNC(=O)CN2CCS(=O)(=O)CC2 1 9.2e-002 3 4 0 -10.7417760029404 1482857 CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2 1 2.95 3 2 -0.24301451411539 1482851 COC(=O)C(CC1=CN=C(S1)Cl)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC 1 2.553 2 6 0 -1.70699469930754 1482845 CN1C2=NC=C(C(=C2C=N1)OC3=CC=C(C=C3)OC)C(=O)O 1 1.901 3 4 0 -0.829121200842788 1482823 CC1=CC=C(C=C1)C(=O)ON=C2CCSC3=C2C=C(C=C3)C 1 4.573 1 2 0.291986971841002 1482821 CC1=CC2=C(C=C1)SCCC2=NOC(=O)C3=CC=C(C=C3)F 1 4.292 1 2 1.65027868951615 1482818 C1CC2=CC=CC=C2C(=NOC(=O)C3CC3)C1 1 2.999 1 2 -6.64804760035964 1482817 C1CC2=CC=CC=C2C(=NOC(=O)C3=CC(=CC=C3)Cl)C1 1 4.57 1 2 6.57924508750256e-002 1482815 C1CC2=CC=CC=C2C(=NOC(=O)C3=CC(=C(C=C3)Cl)Cl)C1 1 5.234 1 2 -1.03446235814992 1482814 CC1=CC=CC(=C1)C(=O)ON=C2CCCC3=CC=CC=C32 1 4.392 1 2 -2.22927011901165 1482813 C1CC2=CC=CC=C2C(=NOC(=O)C3=CC=CS3)C1 1 3.859 1 2 -4.74461081522514 1482798 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CC3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.457 3 1 4.35325130271343 1482788 COC1=CC2=C(N(C(=S)N=C2C=C1OC)CCCN3CCOCC3)N 1 1.175 4 3 0 -4.83407335619479 1482785 CCOC(=O)C1CCN(CC1)CC2=CN=C(S2)OC3=CC=C(C=C3)N 1 2.468 3 3 1.8203934928634 1482782 CCOC(=O)C1CCN(CC1)CC2=CN=C(S2)OC3=C(C=C(C=C3)Cl)C 1 4.365 2 3 4.35788224246393 1482780 C1COCCN1CC2=CN=C(S2)OC3=CC=C(C=C3)Br 1 2.975 2 2 3.43017262560056 1482779 C1CN(CCN1CC2=CN=C(S2)OC3=CC=C(C=C3)Br)C4=CC=C(C=C4)F 1 5.122 3 1 10.0479721058936 1482776 CC1=C(C=CC(=C1)Cl)OC2=NC=C(S2)CN3CCN(CC3)C4=CC=CC=C4 1 5.319 3 1 11.9449495617525 1482772 COC1=CC=C(C=C1)OC2=NC=C(S2)CN3CCN(CC3)C4=CC=CC=C4 1 4.152 3 2 8.15121015945699 1482771 CCOC(=O)C1CCN(CC1)CC2=CN=C(S2)OC3=CC=C(C=C3)C(C)(C)C 1 4.615 2 3 3.70051976962345 1482770 CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC=CO3 1 3.936 3 4 0 -3.13262871263427 1482766 COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C4CC4 1 3.355 3 3 -4.01959730154276 1482759 C1=CSC(=C1)C2=NC(=NC=C2)NC(=S)N 1 2.25 4 0 -4.57602231838138 1482756 CCOC(=O)C1CCN(CC1)CC2=CN=C(S2)OC3=CC=C(C=C3)OC 1 3.198 2 4 0.564142840168449 1482738 COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3=CC=C(C=C3)F)CC4=CC=CS4)OC 1 5.37 3 2 -12.3950312696045 1482737 COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3=CC=C(C=C3)C(F)(F)F)CC4=CC=CS4)OC 1 6.107 3 2 -9.51114140773746 1482736 C1CCC(CC1)C(=O)C2=CNC(=C2)C(=O)O 1 2.711 1 3 -1.29895822844235 1482735 C1CCC(CC1)C(=O)C2=CNC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 4.036 3 2 5.86712372380941e-002 1482733 C1CCC(CC1)C(=O)C2=CNC(=C2)C(=O)NCC3=CC=NC=C3 1 2.722 3 2 -5.18341426079026 1482732 C1CCC(CC1)C(=O)C2=CNC(=C2)C(=O)NCCC3=CC=CC=N3 1 3.185 3 2 -6.42123539688349 1482729 C1CCC(CC1)C(=O)C2=CNC(=C2)C(=O)NCC3=CC=CO3 1 3.054 2 3 -6.81289648455677 1482709 COC1=CC2=C(N(C(=S)N=C2C=C1OC)CC3=CC=CS3)N 1 2.61 3 2 -1.61139873885994 1482697 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN=C(C=C3)C(F)(F)Cl 1 3.549 3 2 -6.12344459475789 1482695 CC(=O)C1=CNC(=C1)C(=O)NC2CCCCCC2 1 2.477 2 2 -6.2220365042197 1482694 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCN=C(C=C3)C(F)(F)Cl 1 3.755 3 2 -9.40686831504299 1482692 CCC(CC)C(=O)C1=CNC(=C1)C(=O)NC2CCCCCC2 1 4.519 2 2 -6.32907929258545 1482690 CCC(CC)C(=O)C1=CNC(=C1)C(=O)NN 1 1.507 3 2 0 -3.77650929187212 1482685 COC1=CC2=C(N(C(=S)N=C2C=C1OC)CCC3=CC=CC=C3)N 1 3.191 3 2 -1.10812119724587 1482682 CC1=CC=CC=C1CSC2=NC3=CC(=C(C=C3C(=N)N2CC4=CC=C(C=C4)OC)OC)OC 1 5.895 3 3 -14.2804568443598 1482681 COC1=C(C=C(C=C1)CN2C(=N)C3=CC(=C(C=C3N=C2SCC4=CC=CC=C4)OC)OC)Cl 1 6.073 3 3 -12.8137540491218 1482680 CC1=CC(=C(C=C1)C)CSC2=NC3=CC(=C(C=C3C(=N)N2CC4=CC=C(C=C4)OC)OC)OC 1 6.381 3 3 -11.4130865676284 1482671 C1CC1C(=O)C2=CNC(=C2)C(=O)O 1 1.342 1 3 0 -4.6936368341821 1482668 CCN1C=C(N(C1=O)CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=C(C=C3)C 1 4.534 2 3 -6.51877867280938 1482658 CCN1C=C(N(C1=O)CC2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)C 1 4.605 2 3 -5.50036945731452 1482649 CC1=CC=C(C=C1)N2C=C(NC2=O)S(=O)(=O)C3=CC=C(C=C3)C 1 3.129 2 3 -9.75593779455542 1482641 C1CC1C(=O)C2=CNC(=C2)C(=O)NCC3=CC=CO3 1 1.686 2 3 0 -10.2075750902965 1482640 C1CC1C(=O)C2=CNC(=C2)C(=O)NCC3=CN=CC=C3 1 1.353 3 2 0 -10.5769778161633 1482626 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F 1 3.758 4 4 0 -1.98641094513351 1482625 C1=CC(=CC=C1C2=CSC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F)F 1 4.069 3 2 0.503554115361381 1482619 CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)F)C(F)(F)F 1 4.644 3 2 -1.63083958263815 1482614 CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)C)C(F)(F)F 1 4.924 3 2 -2.06394294204057 1482612 C1=CC(=C(C=C1C2=CSC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F)Cl)Cl 1 5.192 3 2 1.64674920636452 1482609 CC1=NN2C(=CC=NC2=C1Br)C3=CC=CC=N3 1 2.358 4 0 -0.61576226014619 1482600 CC1=C(C=C2C=NNC2=C1)NC(=S)N 1 2.21 4 0 -4.61636513525252 1482599 C1=CC=C(C=C1)C(=NO)C2=CC3=CC(=CC(=C3O2)Br)Br 1 5.393 1 2 4.45191072855725 1482598 COC1=CC=CC2=C1OC(=C2)C(=NO)C3=CC=C(C=C3)Br 1 4.628 1 3 2.41784481170899 1482591 CC1=C(C=C2C=NNC2=C1)NC(=S)NC(=O)C3=CC=CC=C3 1 3.896 4 1 -11.169817396428 1482588 CC1=C(C2=C(C=C1)C=NN2)NC(=S)N 1 2.21 4 0 -2.06197263972723 1482584 CC1=C(C2=C(C=C1)C=NN2)NC(=S)NC(=O)C3=CC=CC=C3 1 3.896 4 1 -8.2388741373516 1482504 CN(C)C1=NN=NN1C2=CC=C(C=C2)OC3=CC=CC=C3 1 2.36 5 1 -3.5461381875399 1482507 CC1=CC=C(C=C1)COC2=C(SC=C2)C(=O)NNC(=S)N 1 2.994 3 2 -7.0395880714866 1482511 C1=CC(=CC(=C1)C(F)(F)F)COC2=C(SC=C2)C(=O)NN 1 2.803 2 2 -0.536230709904737 1482514 CNC(=S)NNC(=O)C1=C(C=CS1)OCC2=CC(=CC=C2)C(F)(F)F 1 3.882 3 2 -6.82917530512598 1482515 CN1C(=NNC1=S)C2=C(C=CS2)OCC3=CC(=CC=C3)C(F)(F)F 1 4.564 3 1 -3.12821648040273 1482518 CC1=CC=C(C=C1)COC2=C(SC(=C2)OC)C(=O)OC 1 3.8 0 4 -3.12036319456589 1482558 C1=CC=C(C=C1)C2=NC=C(S2)C(=O)C3=C(C=C(C=C3)Cl)Cl 1 5.235 1 1 7.67675889488301 1482554 CNC1=NC=C(S1)C(=O)C2=CC=C(C=C2)Br 1 2.607 2 1 -3.22526002825759 1482551 C1=CC(=C(C=C1Cl)Cl)COC2=C(SC=C2)C3=NC(=S)NN3 1 4.745 3 1 -2.36980991227407 1482542 CC(C)(C)C(=O)C1=CN=C(S1)NC2=CC=CC=C2 1 3.317 2 1 -3.28816141125876 1482541 CCOC(=O)COC1=C(SC=C1)C(=O)OC 1 1.678 0 5 0 -12.1387619390345 1482538 C1=CC=C(C=C1)NC2=NC=C(S2)C(=O)C3=CC(=C(C=C3)Cl)Cl 1 4.764 2 1 1.6895001015461 1482536 CC(=O)C1=CN=C(S1)NC2=CC=CC=C2 1 1.771 2 1 0 -1.34072103443867 1482535 C1=CC=C(C=C1)NC2=NC=C(S2)C(=O)C3=CC=C(C=C3)F 1 3.641 2 1 1.01126392714783 1482534 C1=CC=C(C=C1)NC2=NC=C(S2)C(=O)C3=CC=C(C=C3)Cl 1 4.1 2 1 2.1213855922694 1482500 CN1C(=NNC1=S)C2=C(C=CS2)OCC3=C(C=C(C=C3)Cl)Cl 1 4.951 3 1 -3.76442688137457 1482499 CN1C(=NN=C1SC)C2=C(C=CS2)OCC3=CC=CC=C3 1 3.928 3 1 -5.33998602891769 1482498 CC1=CC=C(C=C1)COC2=C(SC=C2)C3=NN=C(N3C)SC 1 4.415 3 1 -4.52517112413809 1482497 CC1=CC=C(C=C1)COC2=C(SC=C2)C(=O)O 1 3.466 0 3 -4.5938491214013 1482496 CC1=CC=C(C=C1)COC2=C(SC=C2)C3=NNC(=S)N3C 1 4.108 3 1 -6.3226667708353 1482495 CN1C(=NNC1=S)C2=C(C=CS2)OCC3=CC=CC=C3 1 3.622 3 1 -7.13748167561489 1482494 CNC(=S)NNC(=O)C1=C(C=CS1)OCC2=C(C=C(C=C2)Cl)Cl 1 4.269 3 2 -7.46538570609782 1482493 CC1=CC=C(C=C1)COC2=C(SC=C2)C(=O)NNC(=S)NC 1 3.426 3 2 -10.0236255955585 1482492 CNC(=S)NNC(=O)C1=C(C=CS1)OCC2=CC=CC=C2 1 2.94 3 2 -10.8384405003381 1482491 C1=CC(=C(C=C1Cl)Cl)COC2=C(SC=C2)C(=O)NN 1 3.189 2 2 -1.17244111087658 1482484 CN(C)/C=C/1\C(=C(C(=O)O1)C#N)C2=CC=C(C=C2)Cl 1 2.076 2 2 -6.85952815105562e-002 1482477 CC1=CC=C(C=C1)CS(=O)(=O)C2=NSC(=C2C#N)C 1 3.001 2 2 -11.6018279554233 1482472 CSC(=NC#N)N1CCN(CC1)C2=CC=CC=N2 1 1.991 5 0 0 -0.342886633142227 1482471 C1CC(=O)N(C1)C2=CC(=CC(=C2)Cl)Cl 1 2.74 1 1 -6.58889145316392 1482470 CSC(=NC#N)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.127 4 0 -7.24032243650034 1482469 CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=NC#N)SC 1 3.575 4 0 -0.543682684149045 1482468 COC(=O)C1=C(N=C(S1)N2CCN(CC2)C3=CC=C(C=C3)Cl)N 1 2.602 4 2 1.6277384417201 1482467 CSC(=NC#N)N1CCN(CC1)C2=CC(=CC=C2)Cl 1 3.267 4 0 5.17140640524007 1482465 CSC(=NC#N)N1CCN(CC1)C2=CC=C(C=C2)Cl 1 3.267 4 0 2.59080994629174 1482458 COC(=O)C1=C(N=C(S1)N2CCN(CC2)CC3=CC=CC=C3)N 1 1.849 4 2 0 0.450135495436287 1482452 CCN(CC)C(=O)C1=C(N=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)Cl)C 1 3.411 2 3 -3.12345404697753 1482442 CC1=C(C(=NS1)SCC(=O)C2=CC=C(C=C2)Cl)C#N 1 3.867 2 1 -6.2442919188611 1482439 CN(C1=NC(=CC=C1)Cl)NC(=O)C2=C(C=CC=C2Cl)Cl 1 3.796 3 1 -7.1330303454838 1482437 C1=CC(=C(C(=C1)Cl)C(=O)NNC2=NC(=CC=C2)Cl)Cl 1 3.59 3 1 -3.9684589347605 1482436 C1=CC(=C(C(=C1)F)C(=O)NNC2=NC(=CC=C2)Cl)F 1 2.672 3 1 -4.05566957213431 1482435 C1=CC(=NC(=C1)Cl)NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.59 3 1 -0.709867578293258 1482427 CN(C)/C=C/C(=O)C1=CN=C2N(C1=O)CCS2 1 0.324 3 2 0 -9.50114113574506 1482423 CC(=O)C1=CN=C2NC3=CC=CC=C3N2C1=O 1 0.468 3 2 0 -9.94638388543161 1482416 CC(=O)C1=CN=C2N(C1=O)CCS2 1 0.169 2 2 0 -10.8159526493799 1482403 CN(C)/C=C/C(=O)C1=CN=C2N(C1=O)C=CS2 1 -0.274 3 2 0 -10.1258583835654 1482396 CC(=O)C1=CN=C2N(C1=O)N=CS2 1 0.111 3 2 0 -7.45744542118068 1482395 CC(=O)C1=CN=C2N(C1=O)C=CS2 1 -0.429 2 2 0 -11.4406698972003 1482390 CN(C1=NC(=CC=C1)Cl)NC(=O)C2=CC=C(C=C2)Cl 1 3.132 3 1 -5.39300793885025 1482374 CN1C=C(C(=O)C2=CC=CC=C21)C3=CC=CC=C3C(=O)OC 1 2.9 1 3 -5.42492564748703 1482373 COC1=C(C=C2C=CNC(=O)CC2=C1)OC 1 0.728 1 3 0 -6.90099697306738 1482364 C1=CC(=CC(=C1)OC(F)F)CNC(=O)CN2C=NC=N2 1 1.244 4 2 0 -17.3305455784506 1482363 CC1=C(C=NC2=CC3=C(C=C12)OCO3)C(=O)C4=CC=C(C=C4)OC 1 3.658 1 4 -6.76804641504042e-002 1482362 CC1=C(CC(=O)N1CCC2=CNC3=C2C=C(C=C3)OC)C(=O)OC 1 1.96 2 4 0 -9.10104987959685 1482355 C1=CC(=C(C=C1OCC(F)(F)F)C(=O)NO)OCC(F)(F)F 1 2.826 1 4 -6.65936241082222 1482354 CC(C)(C)SC1=C(C=C(C=C1)C=NO)[N+](=O)[O-] 1 3.024 2 3 0.927090066923689 1482352 C1=CC(=CC=C1O)OC2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F 1 5.231 2 2 4.25308954089626 1482349 C1=CC=C(C=C1)CSC2=C(C=C(C=C2)C=NO)[N+](=O)[O-] 1 3.676 2 3 -3.76021073742615 1482346 C1=CC(=NN2C1=NN=C2Cl)Cl 1 1.887 4 0 0 -4.72021501246283 1482342 CSC1=NN2C(=C(C=NC2=N1)C3=CSC=C3)N 1 2.276 5 0 -3.52343549059803 1482341 CSC1=NN2C(=CC=NC2=N1)C3=CC=C(C=C3)OC4=CC=CC=C4 1 4.81 4 1 1.61334251760793 1482338 CSC1=NN2C(=CC=NC2=N1)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.768 4 0 1.3967532508877 1482337 COC(=O)CC1=C(N=NN1C2=CC=C(C=C2)OC(F)(F)F)C(=O)OC 1 4.174 3 5 0 -9.39569974309209 1482335 CN(C)C(=O)C1=CC(=CN1)C(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.362 2 2 0.664146424093222 1482334 CNC(=O)C1=CC(=CN1)C(=O)C2=CC=C(C=C2)Cl 1 2.491 2 2 -3.37488838290498 1482333 CN(C)C(=O)C1=CC(=CN1)C(=O)C2=CC=CC=C2 1 2.033 2 2 -4.12891115389897 1482332 CCC(=O)C1=CNC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.665 3 2 -3.25615556101816 1482331 CCC(=O)C1=CNC(=C1)C(=O)N2CCOCC2 1 0.723 2 3 0 -8.90856026108919 1482314 C=CCN1C=CC2=C(C1=O)C=CC=C2[N+](=O)[O-] 1 1.443 2 3 0 -7.9846904238925 1482313 CN(C)CC1=NNC(=O)C2=CC=CC=C21 1 0.839 3 1 0 -9.02351273728444 1482305 COC1=CC=C(C=C1)NCC2=NNC(=O)C3=CC=CC=C32 1 2.142 3 2 -11.0841442894173 1482303 C1=CC=C2C(=C1)C(=NNC2=O)CNC3=CC=CC(=C3)C(F)(F)F 1 3.1 3 1 -5.56377334245381 1482302 C1=CC=C2C(=C1)C(=O)C3=C(O2)N=C4C=CN(C(=O)C4=C3)CC5=CC=NC=C5 1 2.317 3 3 0.9431902228434 1482301 C1=CC=C2C(=C1)C(=O)C3=C(O2)N=C4C=CN(C(=O)C4=C3)CC5=CN=CC=C5 1 2.317 3 3 -0.476227311238815 1482294 C1=CC=C(C=C1)NCC2=NNC(=O)C3=CC=CC=C32 1 2.158 3 1 -10.9962452156589 1482280 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)CC3=CC=CC=N3 1 1.396 2 3 0 -8.6278532923973 1482270 C1COCCN1C2=NN(C=C2C3=CC=CC=N3)S(=O)(=O)C4=CC=CC=C4 1 2.196 4 3 0 -4.38507857302019 1482268 C1COCCN1C2=NN(C=C2C3=CC=CC=N3)C(=O)NC4=CC=CC(=C4)C(F)(F)F 1 3.344 5 2 0 3.14155454927145 1482258 C1CN(NC1=O)C(=O)NC2=CC=CC=C2Cl 1 0.919 3 2 0 -5.73883326876297 1482255 CC1=CC(=NN1C(=O)/C(=C/N(C)C)/C#N)C 1 0.685 4 1 0 -10.6387218100369 1482224 C1CN(NC1=O)C(=O)NC2=CC(=CC=C2)Cl 1 0.919 3 2 0 -3.21627378606516 1482223 CC1=CC=C(C=C1)NC(=O)N2CCC(=O)N2 1 0.741 3 2 0 -5.9651430427706 1482220 C1CN(NC1=O)C(=O)NC2=CC=CC=C2 1 0.255 3 2 0 -6.12179718114395 1482214 C1CC1C(=O)NC2=CC=CC(=C2)C3=CN4C=CC=CC4=N3 1 2.395 3 1 -0.988968986405943 1482212 COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CN2CCN(CC2)C3=CC=CC=C3 1 3.282 3 4 0 -1.21103150810601 1482211 CC1=C(C(=CC=C1)C)N2CCN(CC2)CC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC 1 4.255 3 4 0 -2.58859516047238 1482209 COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CN2CCN(CC2)C3=CC=C(C=C3)F 1 3.488 3 4 0 -0.140457060973744 1482206 CS(=O)(=O)C1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)C(=O)O 1 1.673 2 4 0 -7.36487692881867 1482205 C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OC=N3 1 2.048 3 2 -5.52049823761132 1482203 COC(=O)C1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)S(=O)(=O)C 1 1.898 2 4 0 -8.37578131155629 1482197 COC1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)C3=CC=C(C=C3)OC 1 3.997 1 3 -3.59854297293285 1482169 COC(=O)CCN1CCC(CC1)C2=CC(=NN2)C3=CC(=CC=C3)C(F)(F)F 1 3.89 3 2 4.77595599213697 1482150 C1CN(CCC1C2=CC(=NN2)C3=CC=CC4=CC=CC=C43)S(=O)(=O)C5=CC=CC(=C5)C(F)(F)F 1 5.47 3 2 -2.48258470793171 1482149 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=CC(=NN3)C4=CC=CC5=CC=CC=C54 1 4.511 3 3 -6.3237728318983 1482145 C1CNCCC1C2=CC(=NN2)C3=CC=CC4=CC=CC=C43 1 3.365 3 0 1.50604053057321 1482144 C1CN\2CCC1C(=O)/C2=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 2.664 2 3 1.20494571784644 1482138 C1CNCCC1C2=CC(=NN2)C3=CC(=CC=C3)C(F)(F)F 1 3.399 3 0 3.93463749084324 1482118 COC1=C(C=CC(=C1)/C=C/C(=O)O)OCC2=CN=C(S2)Cl 1 2.888 1 4 -3.4328267627521 1482113 CC1=C(C=C2C(=C1)C(=CC(=O)N2)COC)NC(=O)C3=CC(=CC=C3)OC 1 2.271 2 4 -13.389206488949 1482107 COC1=CC2=C(C=C1)NC=C2CCN3C=CC(=O)C(=C3O)C/C=C/C4=CC=CC=C4 1 4.909 2 3 2.00444683830799 1482088 COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)S2)OCC3=CN=C(C=C3)Cl 1 3.216 2 4 -0.570964267651049 1482082 COC(=O)C1=C(C(=CC=C1)N)CN2CCC(CC2)CC3=CC=CC=C3 1 3.669 2 2 1.102626465286 1482079 C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=NOC3=CC=CC=C32 1 3.391 4 2 -7.69768600436096 1482078 C1=CC=C2C(=C1)C(=NO2)CC(=O)NNC(=S)NC3=CC=C(C=C3)Cl 1 4.055 4 2 -5.55062017838839 1482076 C1=CC(=CC=C1C2=CSC(=N2)CC3=NC(=CS3)O)Br 1 4.1 2 1 3.60115374982656 1482068 C1=CC=C(C(=C1)C2=CSC(=N2)CC3=NC(=CS3)O)F 1 3.557 2 1 2.12558873833726 1482067 C1=CC=C(C(=C1)C(=O)C2=CN(N=C2)C3=CC(=CC=C3)F)O 1 3.424 2 2 7.29976513296958 1482063 CC1=CC=C(C=C1)C=NNC(=O)CC2=NOC3=CC=CC=C32 1 3.286 3 2 -4.46292429793531 1482061 C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)CC4=NC(=CS4)O 1 4.26 2 1 7.23029896603425 1482058 COC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC(=CS3)O 1 3.335 2 2 2.82284859519703 1482048 C1=CC=C(C=C1)C2=NC(=CS2)CCN3C(=O)C4=CC=CC=C4C3=O 1 3.289 2 2 -2.00348024413007 1482045 CC1=CC=C(C=C1)CNC(=O)CC2=NOC3=CC=CC=C32 1 3.225 2 2 -8.46739445433511 1482016 CC1=NN(C(=O)N1C2=CC=C(C=C2)F)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.881 4 3 0 -4.17862149973483 1482012 CCOC(=O)CN1C(=O)N(C(=N1)C)C2=CC=C(C=C2)F 1 1.459 3 3 0 -8.16167364102787 1482011 CC1=NN(C(=O)N1C2=CC=C(C=C2)F)CC#N 1 1.134 4 1 0 -5.39719280242028 1482008 C1=CC=C(C=C1)C(=O)NNC2=NC(=CS2)C3=CC=C(C=C3)F 1 3.149 3 1 2.9660055546504 1482007 C1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)C3=CC=CC=C3 1 2.943 3 1 1.4865806508217 1482003 CC(=NOC(=O)C)C1=C(C=C(C=N1)C(F)(F)F)N2CCOCC2 1 1.53 3 3 0 1.12525246373143 1482002 CC(=NOC(=O)N(C)C)C1=C(C=C(C=N1)C(F)(F)F)N2CCOCC2 1 1.732 4 3 0 -6.3323178124453e-002 1481999 CC1=NC2=CC=CC=C2C=C1C(=O)O 1 1.928 1 2 0 -0.532984752590042 1481981 CC1=C(C=CC=C1[N+](=O)[O-])N2C=CC=C2C=O 1 3.137 2 3 -0.85825044640001 1481979 C1=CC=C2C(=C1)C=CC(=N2)C3=CC=NC=C3 1 2.812 2 0 5.20078786535363 1481972 C1=CC=C(C=C1)CC2=C(N(C=CC2=O)CCC3=CN=CN3)O 1 2.056 3 2 -0.806948319185416 1481967 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2 1 3.946 1 1 5.44501508165184 1481965 CS(=O)(=O)NC1=CC=CC2=C1C=NN2 1 0.384 3 2 0 -5.55446318804403 1481964 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2C=NN3 1 1.081 4 3 0 -8.60360445864313 1481962 CC1=C2CCCCC2=NC3=NN=NN13 1 1.039 5 0 0 -9.14164490614034 1481954 CNC(=S)NC1=CC=CC2=C1C=NN2 1 2.156 4 0 -10.1657906110729 1481947 CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=CC4=C3N=CC=C4 1 2.802 3 1 -2.34710184483451 1481943 C1CN(CCC1C(=O)N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl 1 1.371 2 3 0 3.40504755359351 1481939 CCN(CCO)C1=CC(=NC(=N1)SC)Cl 1 2.498 3 1 -2.50940808549158 1481938 C1CCN(C1)C2=CC(=NC(=N2)N)Cl 1 1.861 4 0 0 -1.61164118719123 1481936 CN(CC1=CC=CC=C1)C2=CC(=NC(=N2)N)Cl 1 2.984 4 0 0.12702997929932 1481929 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)NC(=O)NN 1 1.471 5 1 0 -0.543647352702677 1481913 CC1=NC2=NC(=CN2C(=C1)N3CCN(CC3)C)C4=CC=C(C=C4)F 1 3.279 5 0 5.51944257968045 1481912 CC1=NC2=NC(=CN2C(=C1)N3CCOCC3)C4=CC=C(C=C4)F 1 3.009 4 1 0.950951060954024 1481895 CC(=NOC(=O)C1=CC=CC=C1F)C2=NC=CS2 1 2.192 2 2 -1.7727417178435 1481894 CC(=NOC(=O)C1=CC=C(C=C1)Cl)C2=NC=CS2 1 2.651 2 2 -0.14279621998198 1481893 CC(=NOC(=O)C1=CC=C(C=C1)OC)C2=NC=CS2 1 1.97 2 3 0 -2.30671817107789 1481892 CC(=NOC(=O)C1=C(C=CC=C1F)F)C2=NC=CS2 1 2.397 2 2 -3.21962780903017 1481884 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)ON=C(C)C3=NC=CN=C3 1 2.462 4 3 0 -6.57315335795255 1481883 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)ON=C(C)C3=NC=CN=C3 1 2.668 4 3 0 -9.57780341217482 1481882 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)ON=C(C)C3=NC=CN=C3 1 3.127 4 3 0 -10.3642889219451 1481870 C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C4=CC=CC=C4C=C3)O 1 4.127 2 2 5.47690316456909 1481867 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C 1 3.764 3 4 0 -5.6245823296034 1481859 C1CC2=C(C1)C=C(C=C2)C3=NC4=C(C=NN4C=C3)C#N 1 2.985 4 0 -2.01098594001139 1481855 CC1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C4=CC=CC=C4C=C3)O 1 4.613 2 2 6.31180867216912 1481854 COC1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C4=CC=CC=C4C=C3)O 1 4.11 2 3 5.89884246302499 1481851 CC1=NN2C3=CC=CC=C3C(=O)N(C2=C1)CC4=CC(=CC=C4)OC 1 3.191 3 2 -1.93010725565707 1481850 CC1=NNC(=O)N1C2=CC=C(C=C2)OC3=CC=CC=C3 1 2.552 3 2 -3.78809474897819 1481841 CC1=CC=C(C=C1)CN2C3=CC(=NN3C4=CC=CC=C4C2=O)C 1 3.693 3 1 -1.334320959615 1481840 CC1=NN2C=CC(=NC2=C1)C3=CC4=C(CCC4)C=C3 1 3.389 3 0 -0.295846402776421 1481832 CC1=CC2=NC(=O)C3=CC=CC=C3N2N1 1 0.891 3 1 0 -3.54985879700891 1481829 CC1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=CC=CC=C3O 1 3.704 2 2 5.32906605350154 1481828 C1=CC=C(C(=C1)C(=O)C2=CN(N=C2)C3=CC=C(C=C3)Cl)O 1 3.883 2 2 7.15106474408836 1481827 COC1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=CC=CC=C3O 1 3.202 2 3 4.9160998443574 1481825 C1CC2=C(C1)C=C(C=C2)C3=NNC(=O)CC3 1 2.106 2 1 -9.13825817485809 1481824 CC1=C(C(=O)NN1S(=O)(=O)C2=CC=CC=C2)CCO 1 0.141 2 4 0 -9.24653241807751 1481823 CC1=C(C(=O)NN1S(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)CCO 1 1.47 2 4 0 -4.03770165839296 1481822 CC1=C(C(=O)NN1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)CCO 1 1.083 2 4 0 -4.35869582561785 1481815 COC(=O)C1CCN(CC1)C2=CC(=NC(=N2)N)Cl 1 1.728 4 2 0 -3.14568692302342 1481812 C1COCCN1C(=O)C2=CNC3=CC=CC=C32 1 1.225 2 2 0 -4.99427696931701 1481811 COC1=CC=C(C=C1)C2=C3N=CC(=C(N3N=C2)N)S(=O)(=O)C4=CC=CC=C4 1 2.5 4 3 0 -10.9449553436243 1481803 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3OC2 1 3.06 1 2 2.22220648211054 1481783 C1C(=NC2=CC=CC=C2O1)C3=CC=CC=C3 1 3.076 1 1 1.99224327792708 1481775 CCOC(=O)C1=C(N2C(=C(C=N2)C3=CC=C(C=C3)F)N=C1)C(F)(F)F 1 3.402 3 2 -6.62084348164313 1481774 CC1=NC2=C(C=NN2C(=C1C3=CC=C(C=C3)OC)N)C4=CC=CC=N4 1 2.476 5 1 -2.61719122308022 1481773 CC1=NC2=C(C=NN2C(=C1C3=CC=C(C=C3)OC)N)C4=CSC=C4 1 2.86 4 1 -3.51149622960138 1481772 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)NC3=CC=CC=C3OC 1 3.766 4 2 -10.679837931748 1481763 CC(C)(C)S(=O)(=O)C1=C(N2C(=C(C=N2)C3=CC=C(C=C3)OC)N=C1)N 1 1.854 4 3 0 -6.20518233515299 1481761 CC1=NC2=C(C=NN2C(=C1C3=CC=C(C=C3)OC)N)C4=CC=C(C=C4)F 1 3.404 4 1 -1.84077329858172 1481758 C1=CC(=CC=C1C2=C3N=CC(=C(N3N=C2)N)C(=O)O)Cl 1 1.708 4 2 0 -3.85930095791498 1481753 CC1=NC2=C(C=NN2C(=C1)C(F)(F)Cl)C3=CC=CC=N3 1 2.749 4 0 -5.34603273133743 1481752 COC1=CC=C(C=C1)C2=CSC(=N2)N3C=CC=N3 1 2.984 3 1 5.18599204857145 1481751 C1=CC=C(C=C1)C2=CSC(=N2)N3C=CC=N3 1 3 3 0 5.02704761487561 1481748 COC1=CC2=C(N(C(=S)N=C2C=C1OC)CC3=CC=CC=C3Cl)N 1 3.534 3 2 -0.498066128896248 1481729 CC(=O)CSC1=NC(=CC(=O)N1C2=CC=CC=C2)C(F)(F)F 1 2.991 2 2 -11.1779467162131 1481718 CC(C)(C)C1=CC=C(C=C1)CN2C=CC(=N2)C3=CC4=C(C=C3)OCO4 1 5.178 2 2 0.899527713523365 1481711 C1=CC=C(C=C1)N2C(=O)C=C(N=C2SCCC(=O)O)C(F)(F)F 1 3.138 2 3 -13.4875879446388 1481709 C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3)CC4=CC(=C(C=C4)Cl)Cl 1 5.107 2 2 -0.28225286435862 1481706 CC1=NN=C(N1CC2=CC3=C(C=C2)OCO3)C4=C(N(N=C4)C)N 1 0.965 6 2 0 -7.97848326268435 1481705 C1=CC=C2C(=C1)C(=CN2C3=CC=C(C=C3)C=O)C=O 1 3.424 1 2 0.317886614891937 1481702 CC1=NN=C(N1CC2=CC=CC=C2)C3=C(N(N=C3)C)N 1 1.197 6 0 0 -6.94938736319354 1481699 C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3)CC4=CC(=CC=C4)F 1 3.983 2 2 -0.399198727240035 1481697 CC1=CC=CC=C1CN2C=CC(=N2)C3=CC4=C(C=C3)OCO4 1 4.264 2 2 -2.83855884178394 1481693 C1=CC=C(C=C1)N2C(=O)C=C(N=C2SCC(=O)O)C(F)(F)F 1 2.89 2 3 -13.5529065720508 1481692 CCSC1=NC(=CC(=O)N1C2=CC=CC=C2)C(F)(F)F 1 3.758 2 1 -7.61435729969153 1481689 CN1C2=NC=C(C(=C2C=N1)NCC3=CC=C(C=C3)OC)C(=O)O 1 1.733 4 3 0 -4.35000132074464 1481686 CCOC(=O)C1=CN=C2C(=C1NCC3=CC=C(C=C3)OC)C=NN2C 1 2.308 4 3 0 -6.15689467124709 1481685 CN1C2=NC=C(C(=C2C=N1)NCC3=CC(=CC=C3)C(F)(F)F)C(=O)O 1 2.692 4 2 -0.710348972297061 1481670 C1=CN(C(=C1)C=O)C2=NC=CC(=N2)C3=CC=CO3 1 2.841 3 2 3.39067056730809 1481669 CN1CCN(CC1)C2=NC=C(S2)CN3C(=O)C4=CC=CC=C4C3=O 1 1.02 4 2 0 5.20580185944513 1481666 C1=CN(C=C1)C2=NC=CC(=N2)C3=CC=CO3 1 2.79 3 1 2.58664017992941 1481663 CC(=O)C(C(=O)C)SC1=NC=CC(=N1)C2=CC=CS2 1 2.527 2 2 -4.42698188862797 1481657 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)/C=C/N(C)C)C 1 2.891 2 1 -2.11134887722102 1481646 C1=CC=C2C(=C1)N=C(N2CC(=O)OC3=CC=CC(=C3)C(F)(F)F)C(F)(F)F 1 5.126 2 2 -2.60233127480334 1481641 CC1=CC=C(C=C1)C(=O)ON=C2CC(N(C(C2)(C)C)C(=O)C)(C)C 1 2.55 2 3 -0.770187503276755 1481622 CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C=C2C=O 1 4.926 1 1 -2.31458872772588 1481618 CCOC(=O)C1=CN=C(N=C1OC2=CC=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)SC 1 3.905 3 5 0 -4.97819829773687 1481617 C1=CC=C2C(=C1)C=C(C(=N2)SCC3=CC(=C(C=C3)Cl)Cl)C=O 1 5.768 1 1 -1.13310127469399 1481616 COC1=CC=CC(=C1)CSC2=NC3=CC=CC=C3C=C2C=O 1 4.423 1 2 -3.33707119446466 1481614 CCOC(=O)C1=CN=C(N=C1OC2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)SC 1 4.11 3 5 0 -3.27291740651068 1481613 CCOC(=O)C1=CN=C(N=C1OC2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)SC 1 4.391 3 5 0 -3.98479443197593 1481610 CCOC(=O)C1=CN=C(N=C1OC2=CC=CC(=C2)NC(=O)C3=C(C(=CC=C3)Cl)Cl)SC 1 5.531 3 4 0 -4.60039599353005 1481609 CCOC(=O)C1=CN=C(N=C1OC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl)SC 1 4.866 3 4 0 -4.12900873546043 1481604 CSC1=NC2=CC=CC=C2C=C1/C=C(\C#N)/C3=CC=CC=C3 1 4.922 2 0 -6.72904004216307 1481603 CC1=CC=CC(=C1)/C(=C/C2=CC3=CC=CC=C3N=C2SC)/C#N 1 5.408 2 0 -5.73090889413034 1481601 CCOC(=O)C1=CN=C(N=C1OC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl)SC 1 5.531 3 4 0 -4.90289063683074 1481600 CCOC(=O)C1=CN=C(N=C1OC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C)SC 1 4.688 3 4 0 -6.03831714120403 1481599 CCOC(=O)C1=CN=C(N=C1OC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)SC 1 4.866 3 4 0 -4.21631845061722 1481590 C1=CC=C(C=C1)N2C(=O)C=CC(=N2)OCC(=O)O 1 1.162 2 4 0 -6.81016790630208 1481586 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3N 1 2.111 3 2 -10.0256058479967 1481585 COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.713 2 4 -13.7013708834809 1481584 C1COCCN1C2=CC=C(C=C2)NC(=O)CS(=O)(=O)C3=CC=CC=C3 1 1.842 2 4 0 -10.2808215865941 1481570 CC1=C(C(=NC2=NC=NN12)C)CC3=CC(=CC=C3)C(F)(F)F 1 3.722 4 0 -9.06883390697067 1481542 CC1=CC(=NN1CC2=CN=C(S2)N3CCOCC3)C 1 0.796 4 1 0 -5.84967867537062 1481531 CC1CCN(CC1)CC2=CN=C(S2)Cl 1 2.482 2 0 1.14280423970301 1481528 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC3=CN=C(S3)Cl 1 4.094 2 3 -9.08877313599286 1481527 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC3=CN=C(S3)Cl 1 3.889 2 3 -6.0841230817706 1481503 CCC1=CC(=O)N=C(N1)SCCC(=C(F)F)F 1 2.248 2 1 -12.8476381247066 1481502 CCOC(=O)C1=C2C=CC=CN2C=C1C3=CC(=CC=C3)N 1 2.501 2 2 0.531831437807764 1481501 COC1=CC=C(C=C1)CNC(=O)/C=C/C2=CC3=C(C=C2Br)OCO3 1 3.589 1 4 -6.69106702823761 1481493 C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)NCC3=CC=C(C=C3)F)Br 1 3.811 1 3 -5.56622379362822 1481490 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)C3=CNC(=C3)C(=O)NC4CC4 1 4.192 3 3 -11.1278153949972 1481486 CN(CCOC1=CC=C(C=C1)C2=NN(C=C2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl)C4=CC=CC=N4 1 6.089 4 3 0 -2.18168772492368 1481485 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)C3=CNC(=C3)C(=O)NCC(OC)OC 1 3.64 3 5 0 -15.3605125042503 1481484 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=CC(=N2)C3=CC=C(C=C3)OCCN(C)C4=CC=CC=N4)C 1 6.219 4 3 0 -2.41460769327422 1481480 CN(CCOC1=CC=C(C=C1)C2=NN(C=C2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)C5=CC=CC=N5 1 5.669 4 3 0 -3.20100138957696 1481479 C1CN(CCC1C(=O)NNC(=O)C2=CC=CS2)CC3=CC=CC=C3 1 2.37 3 2 -3.68364723850683 1481471 CC1=CC(=C(C(=C1)C)S(=O)(=O)NNC(=O)C2CCN(CC2)CC3=CC=CC=C3)C 1 3.578 3 3 -0.924983393881241 1481466 C1CN(CCC1C(=O)NNS(=O)(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3 1 2.784 3 3 -1.38443736079208 1481465 C1=CC=C(C=C1)C2=CC3=C(N2)C=CC(=C3)Cl 1 4.597 1 0 11.9695351144305 1481464 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NNC(=O)C3CCN(CC3)CC4=CC=CC=C4 1 3.628 4 3 0 -5.66374300186541 1481463 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NNC(=O)C3CCN(CC3)CC4=CC=CC=C4 1 3.833 4 3 0 -8.59737428560005 1481460 CN(CCOC1=CC=C(C=C1)C2=NN(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=N4 1 5.425 4 3 0 -2.06446248031805 1481459 CN(CCOC1=CC=C(C=C1)C2=NN(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C4=CC=CC=N4 1 4.744 4 4 0 -4.44470395124856 1481420 C1CC1C(=O)NNC2=NC(=CC=C2)Cl 1 1.355 3 1 0 -5.36297796650051 1481412 CN(C)/C=C/C(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2 1 2.175 2 3 -5.09815667270379 1481406 CN(C)/C=C/C(=O)C1=CC=C(O1)C2=C(C=C(C=C2)Cl)Cl 1 4.258 1 2 9.93723524019299 1481403 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=NC3=CC=CC=C3C=C2)C(=O)OC 1 2.276 2 4 -14.6678981181701 1481377 C1C(=O)N(C(=NN2C=NN=C2)S1)C3=CC=CC=C3 1 1.283 5 1 0 -6.05865028559795 1481362 CN(C)/C=C/C(=O)C1=CC(=C(C=C1)OC)OC 1 1.691 1 3 0 -5.06147906517883 1481357 C1C(=O)N(C(=NN2C=NN=C2)S1)C3=CC=C(C=C3)Cl 1 1.947 5 1 0 -3.9753483998689 1481325 C1=CC(=C(C=C1Cl)Cl)CC2=C(N(C=CC2=O)CC(=O)N)O 1 2.442 2 3 -3.67245138103556 1481324 C1COCCN1CCCN2C=CC(=O)C(=C2O)CC3=C(C=C(C=C3)Cl)Cl 1 3.477 2 3 -3.09728825764488 1481319 C1=CC(=CN=C1)CNC(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.39 3 1 -5.84082170530388 1481317 C1=CC(=CC=C1CNC(=O)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NCC3=CC=C(C=C3)F)F 1 4.719 3 2 -1.9881809189494 1481309 C1=CC(=CC(=C1)N2C=CC(=O)C(=N2)C(=O)O)C(F)(F)F 1 2.39 2 3 1.79142341468913 1481307 COC(=O)C1=NN(C=CC1=O)C2=CC(=CC=C2)Cl 1 2.337 2 3 -0.32125970378312 1481306 COC(=O)C1=NN(C=CC1=O)C2=CC=CC(=C2)C(F)(F)F 1 2.615 2 3 0.868596422365052 1481305 CCN1C(=NN=C1SC)C2=NN(C=CC2=O)C3=CC=CC=C3 1 2.754 5 1 -5.27813113971804 1481303 CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)Cl)C3=NN(C=CC3=O)C4=CC=CC=C4 1 5.667 5 1 -9.97646685966353 1481302 CCN1C(=NN=C1SCC2=CC=C(C=C2)F)C3=NN(C=CC3=O)C4=CC=CC=C4 1 4.543 5 1 -8.67529837528687 1481301 CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=NN(C=CC3=O)C4=CC=CC=C4 1 5.667 5 1 -8.0658500434986 1481300 CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C3=NN(C=CC3=O)C4=CC=CC=C4 1 4.824 5 1 -9.38717540075213 1481299 CCN1C(=NNC1=S)C2=NN(C=CC2=O)C3=CC=C(C=C3)C 1 2.925 5 1 -6.17322680328798 1481298 CCN1C(=NNC1=S)C2=NN(C=CC2=O)C3=CC=CC=C3 1 2.438 5 1 -6.43452999843022 1481297 CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)O 1 1.934 2 3 0 -3.1684295989929 1481296 C1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)O 1 1.447 2 3 0 -3.42973279413514 1481295 CNC(=O)C1=NN(C=CC1=O)C2=CC=CC=C2 1 1.026 3 2 0 -6.97656390541884 1481294 CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC 1 1.512 3 2 0 -6.71526071027661 1481293 COC(=O)C1=NN(C=CC1=O)C2=CC=CC=C2 1 1.673 2 3 0 -4.35255978645922 1481292 CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)OC 1 2.159 2 3 -4.09125659131699 1481283 C1=CC=C(C=C1)NC(=O)C2=NN(C=CC2=O)C3=CC=CC(=C3)C(F)(F)F 1 3.544 3 2 0.786358129533986 1481279 CC1=CC=CC=C1NC(=O)C2=NN(C=CC2=O)C3=CC(=C(C=C3)F)F 1 3.499 3 2 -4.65912223017929 1481276 COC1=CC=CC=C1NC(=O)C2=NN(C=CC2=O)C3=CC(=C(C=C3)F)F 1 2.997 3 3 -5.62614420174228 1481275 COC1=CC=CC=C1NC(=O)C2=NN(C=CC2=O)C3=CC=C(C=C3)OC(F)(F)F 1 4.706 3 4 0 -4.59840587584649 1481274 COC1=CC=CC=C1NC(=O)C2=NN(C=CC2=O)C3=CC=CC=C3 1 2.586 3 3 -7.7905676641824 1481273 COC1=CC=CC=C1NC(=O)C2=NN(C=CC2=O)C3=CC=CC(=C3)C(F)(F)F 1 3.528 3 3 -2.49839268487051 1481272 COC1=CC=CC=C1NC(=O)C2=NN(C=CC2=O)C3=CC=C(C=C3)Cl 1 3.25 3 3 -5.53885278144095 1481269 C1=CN(C=C1)C2=C(SC=C2)C(=O)NN=CC3=C(C=C(C=C3)Cl)Cl 1 4.841 3 1 -3.34250440912816 1481268 CC1=CC=CC(=C1)C=NNC(=O)C2=C(C=CS2)N3C=CC=C3 1 3.999 3 1 -5.90402258084097 1481267 C1=CN(C=C1)C2=C(SC=C2)C(=O)NN=CC3=CC=CS3 1 3.466 3 1 -8.39456184889092 1481265 C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 3.559 3 1 -6.20040452862597 1481263 C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 2.45 3 3 -11.8085003204862 1481262 COC(=O)C1=CC=CC=C1S(=O)(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 2.306 3 5 0 -14.9517464884567 1481261 C1=CC=C(C(=C1)C(=O)NNS(=O)(=O)C2=CC=CC=C2F)N3C=CC=C3 1 2.656 3 3 -12.1991930750115 1481258 COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 2.434 3 4 0 -11.1570438933818 1481257 C1=CC=C(C(=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)Br)N3C=CC=C3 1 3.199 3 3 -10.3787387387523 1481246 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)Cl)Cl)N3C=CC=C3 1 4.076 3 2 -5.97125557691085 1481245 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 3.234 3 2 -7.16606333777258 1481244 COC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 2.731 3 3 -8.30471237143567 1481242 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)F)N3C=CC=C3 1 2.953 3 2 -6.53464296004053 1481241 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl)N3C=CC=C3 1 3.412 3 2 -5.42452129491897 1481240 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl)N3C=CC=C3 1 4.076 3 2 -3.14427483846024 1481238 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 3.234 3 2 -7.24651998550579 1481237 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=C(C=CC=C2F)F)N3C=CC=C3 1 3.158 3 2 -8.11878499500146 1481236 COC1=C(C(=CC=C1)OC)C(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 2.714 3 4 0 -8.75779020001846 1481235 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 2.937 3 3 -10.7440776842377 1481234 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)Cl)N3C=CC=C3 1 3.412 3 2 -4.8710007678859 1481233 C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3 1 2.747 3 2 -8.21058055002753 1481232 C1=CN(C=C1)C2=C(SC=C2)C(=O)NNC(=O)NC3=CC=C(C=C3)F 1 2.814 4 2 -7.06530099838618 1481228 CC1=CC(=CC=C1)NC(=O)NNC(=O)C2=C(C=CS2)N3C=CC=C3 1 3.095 4 2 -5.98692669704708 1481225 CC1=NOC2=NC=NC(=C12)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.182 5 1 6.99788513551476 1481223 C1=CN(C=C1)C2=C(SC=C2)C(=O)NN=CC3=CC=C(C=C3)Cl 1 4.177 3 1 -5.50656816841204 1481222 CC1=CC=C(C=C1)NC(=O)NNC(=O)C2=C(C=CS2)N3C=CC=C3 1 3.095 4 2 -7.77717802385143 1481217 C1=CC=C(C=C1)C=NNC(=O)C2=C(C=CS2)N3C=CC=C3 1 3.513 3 1 -7.59790490260799 1481215 C1=CN(C=C1)C2=C(SC=C2)C(=O)NNC(=O)C3=C(C=CC=C3F)F 1 3.112 3 2 -8.24774640684805 1481214 CC1=NOC2=NC=NC(=C12)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.723 5 1 3.30716701144487 1481213 CC1=NOC2=NC=NC(=C12)N3CCCCC3 1 1.805 4 1 0 -0.891085008055827 1481208 COC1=CC=CC=C1C(=O)NNC(=O)C2=C(C=CS2)N3C=CC=C3 1 2.684 3 3 -10.3763524813378 1481207 C1=CN(C=C1)C2=C(SC=C2)C(=O)NNC(=O)C3=CC=CS3 1 2.654 3 2 -9.13313552103524 1481204 C1COCCN1C(=O)C2=CC=C(N(C2=O)CC3=CC=C(C=C3)Cl)C(F)(F)F 1 2.364 2 3 -4.51749594417392 1481194 CC1=C(C=C(C=C1)C(F)(F)F)NC(=S)N 1 3.509 2 0 -2.01557719157588e-003 1481190 COC1=CC=CC=C1CNC2=NC=NC3=CC(=C(C=C32)OC)OC 1 2.797 3 3 -1.79308483716423 1481180 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)C=NN3 1 3.41 4 1 -9.76646994422526 1481175 CCOC1=CC=CC=C1N2C=NC(=C2N)C#N 1 1.517 4 1 0 -7.3190335716198 1481174 C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C=NC(=C3N)C#N 1 2.745 4 1 -0.775535308178821 1481134 C1=NNC(=N1)SCCC(=C(F)F)F 1 1.429 3 0 0 -9.81709380249038 1481107 C1=CC(=CC=C1C2=CC(=NO2)CSC3=CC=C(C=C3)Cl)Cl 1 5.763 1 1 5.75154081160826 1481106 CC1=CC=C(C=C1)SCC2=NOC(=C2)C3=CC=C(C=C3)Cl 1 5.584 1 1 6.57785975382581 1481105 C1COCCN1CC2=NOC(=C2)C3=CC=C(C=C3)Cl 1 2.734 2 2 2.9371471750195 1481102 C1=CC=C(C=C1)NC(=O)OCC2=NOC(=C2)C3=CC=C(C=C3)Cl 1 4.32 2 3 1.75420025522397 1481099 C1CCN(CC1)CC2=NOC(=C2)C3=CC(=C(C=C3)Cl)Cl 1 4.628 2 1 4.66623996927499 1481096 CC1=CC=C(C=C1)NC(=O)OCC2=NOC(=C2)C3=CC=CC=C3 1 4.142 2 3 -0.3856607133047 1481095 C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)NC3=CC=C(C=C3)Cl 1 4.32 2 3 1.43633797728212 1481087 C1=CC=C(C=C1)NC(=O)OCC2=NOC(=C2)C3=CC=CC=C3Cl 1 4.32 2 3 0.369261548477202 1481086 C1=CC=C(C(=C1)C2=CC(=NO2)COC(=O)NC3=CC=C(C=C3)Cl)Cl 1 4.984 2 3 1.7001983729313 1481079 CC1=NC(=NC2=C1CCC2)S(=O)(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.35 2 2 -1.86714135262394 1481078 CC1=CC=C(C=C1)S(=O)(=O)C2=NC3=C(CCC3)C(=N2)C 1 3.507 2 2 -6.01228857213938 1481076 CC1=NC(=NC2=C1CCC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.769 2 2 -5.45865303232019 1481060 CC1=NC(=NC2=C1CCC2)N3CCOCC3 1 1.148 3 1 0 -3.67827436092654 1481012 CSC1=NC2=C(C(=N1)N3CCOCC3)SC=C2 1 2.173 3 1 -2.8036310389876 1481009 CNC1=NC(=NC2=C1SC=C2)SC 1 2.279 3 0 -3.05727843955119 1481004 CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=N2)SCC(=O)OC 1 5.492 2 2 -15.2424813833623 1480996 CC1=CC=CC2=C1N(C(=O)C=C2C)CC3=CC=CC=C3 1 3.974 1 1 -7.63361883662569e-002 1480995 CC1=CC(=O)N(C2=CC=CC=C12)CC#C 1 3.097 1 1 -2.61189088189668 1480986 CC1=C(SN=N1)NC(=O)OCC2=CC=CC=C2Cl 1 2.793 3 2 -6.6119151616362 1480985 CC1=C(SN=N1)NC(=O)OCC2=C(C=C(C=C2)Cl)Cl 1 3.457 3 2 -4.06438828799952 1480959 CC1=CC(=O)N(C2=CC=CC=C12)CC3=CC=CC=C3 1 3.488 1 1 1.17657358868867 1480957 C1COCCN1C2=CC(=NC(=N2)C3=CC=CC=C3)N4CCOCC4 1 1.829 4 2 0 2.53255200960746 1480945 CC1=CC=C(C=C1)CS(=O)(=O)C2=NC3=C(CCCC3)C(=N2)N(C)C 1 3.769 3 2 -10.1728765192714 1480932 CN(C)S(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)N(C)C 1 1.624 2 5 0 -2.97991858793309 1480927 C1=CC=C2C(=C1)C=C(C=N2)NC(=S)N 1 2.266 3 0 1.2246113439032 1480924 C1=CC2=C(C=CN=C2)C(=C1)NC(=S)N 1 1.838 3 0 0 -1.71093486858215 1480923 C1=CC2=C(C(=C1)NC(=S)N)N=CC=C2 1 2.266 3 0 -3.84708875518334 1480921 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=CC=CC=C3N=C2 1 3.952 3 1 -6.22446332462856 1480920 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=CC=C3 1 3.952 3 1 -8.19308012919999 1480919 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CN=C3 1 3.524 3 1 -8.43721527330049 1480914 CC1=CC(=C(C(=C1)C)CN2C(=O)N(C=N2)C3=CC=C(C=C3)Br)C 1 4.909 3 1 -2.60789350497407 1480910 CC1=CC=C(C=C1)CN2C(=O)N(C=N2)C3=CC=CC=C3 1 3.189 3 1 -2.82822703570174 1480906 C1=CC(=C(N=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)Br)[N+](=O)[O-] 1 2.727 5 3 0 -5.00269039522319 1480901 CC(C)C1=CC=C(C=C1)N2C=NN(C2=O)C3=C(C=CC=N3)[N+](=O)[O-] 1 3.173 5 3 0 -5.08456964405693 1480879 CC(=O)NC1=NC=C(C=C1)SC2=CC=CC=C2C(=O)N3CCCC3 1 2.332 3 2 -9.26143690721102 1480869 CC1=COC(=N)N1CC(=O)C2=CC=C(C=C2)Cl 1 1.932 2 2 0 -3.02604025773149 1480861 C1=CC(=CC=C1OC2=NN3C(=NN=C3C(F)(F)F)C=C2)F 1 3.506 4 1 -1.18297008282362 1480858 COC(=O)C1=C(NC2=C1CCC3=CC=CC=C32)C(=O)OC 1 3.336 1 4 -6.26455263178938 1480857 COC1=CC=CC(=C1)OC2=NN3C(=NN=C3C(F)(F)F)C=C2 1 3.284 4 2 -2.31240598702808 1480854 CC1=CC=C(C=C1)C(=O)CSC2=NSC(=C2C#N)C 1 3.689 2 1 -8.25458720378172 1480847 CN1C(=CN=C1S(=O)(=O)CC2=C(C=CC=C2Cl)Cl)CO 1 2.376 2 3 -13.4785913955182 1480846 CNC(=O)C1=C(C=NN1C2=CC=C(C=C2)F)Cl 1 2.425 3 1 -3.01310599218387 1480841 CC1=CC=C(C=C1)N2C(=C(C=N2)Cl)C(=O)NC3CC3 1 3.196 3 1 -3.90163780367458 1480839 CN1C(=CC(=N1)OC(=O)NC2=CC=C(C=C2)F)C(F)(F)F 1 3.798 3 2 -1.78161292420298 1480836 CN1C(=CC(=N1)OC(=O)NC2=CC=C(C=C2)Cl)C(F)(F)F 1 4.257 3 2 -0.392717593018578 1480835 CN1C(=CC(=N1)OC(=O)NC2=CC(=CC=C2)Cl)C(F)(F)F 1 4.257 3 2 0.39431506887841 1480824 C1=CC=C(C=C1)OCC2=CC(=NO2)C3=CC=C(C=C3)Cl 1 4.54 1 2 4.8651950072864 1480821 CC1=CC(=NC(=C1S(=O)(=O)C)SCC2=CC=C(C=C2)OC)C 1 3.622 1 3 -9.3252322853681 1480818 C1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=NO2)C3=CC=C(C=C3)Cl 1 3.467 2 3 0.65037173464996 1480817 C1=CC=C(C=C1)C2=NOC(=C2)COC3=CC=C(C=C3)F 1 4.081 1 2 3.76879093781844 1480815 CC1=CC=C(C=C1)SC2=C(C(=CC(=N2)C)C)S(=O)(=O)C 1 4.117 1 2 -3.35828238710119 1480809 C1=CC=C(C=C1)C2=NOC(=C2)COC3=C(C=C(C=C3)Cl)Cl 1 5.204 1 2 4.29026846863226 1480808 C1=CC=C(C=C1)C2=NOC(=C2)COC3=CC=CC=C3 1 3.876 1 2 2.27564843833614 1480807 COC1=CC=C(C=C1)C2=NOC(=C2)CNS(=O)(=O)C3=CC=C(C=C3)F 1 2.992 2 4 2.32934996204106e-002 1480806 COC1=CC=C(C=C1)C2=NOC(=C2)CNS(=O)(=O)C3=CC=CC=C3 1 2.787 2 4 -1.584593165081 1480805 COC1=CC=C(C=C1)OCC2=CC(=NO2)C3=CC=C(C=C3)Cl 1 4.524 1 3 4.7951862389115 1480804 CC(=O)NCC1=CC(=NO1)C2=CC=C(C=C2)OC 1 1.419 2 3 0 -2.92530318621817 1480803 C1=CC=C(C(=C1)C2=NOC(=C2)CNS(=O)(=O)C3=CC=C(C=C3)Cl)Cl 1 4.132 2 3 1.92815146691727e-003 1480799 COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=NO2)C3=CC=CC=C3Cl 1 3.451 2 4 -1.41690774674556 1480798 C1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=NO2)C3=CC=CC=C3Cl 1 3.467 2 3 -2.06836417384998 1480796 COC1=CC=C(C=C1)C2=NOC(=C2)CN3C(=O)C4=CC=CC=C4C3=O 1 2.908 2 4 2.21233922668794 1480775 C1=CC=C2C(=C1)C=C(C(=N2)N)C3=CC=CS3 1 3.28 2 0 1.26038198590177 1480774 COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3N=C2N)OC 1 3.294 2 2 2.39476360654034 1480772 C1=CC(=C(C(=C1)Cl)COC2=COC(=CC2=O)CO)F 1 1.569 0 4 0 -2.73145251848376 1480771 CC1=C(C=C2C(=C1)C(=C(C(=O)N2)C)C)N 1 1.884 2 1 0 -1.98773385340752 1480768 CC1=CC=C(C=C1)C2=CC3=CC=CC=C3N=C2N 1 3.813 2 0 5.3370902800559 1480766 CCOC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.61 3 4 0 -2.5367342361746 1480761 CC1=CC=C(C=C1)OC2=CC=CC=C2/C=C\3/C(=O)N(C(=O)S3)C 1 4.194 1 3 -0.129736143380881 1480755 CC1=C(C(=O)NN1S(=O)(=O)C2=CC=C(C=C2)F)CCO 1 0.346 2 4 0 -7.6386457533761 1480754 CC1=C(C(=O)NN1S(=O)(=O)C2=CC=C(C=C2)OC)CCO 1 0.124 2 5 0 -8.76348898798549 1480752 CC(C)(C)N1C=C(C=N1)C(=O)C2=C(C3=CC=CC=C3C=C2)O 1 3.481 2 2 1.13105816236621 1480751 C1=CC=C2C(=C1)C=CC3=C2OC=C(C3=O)C=O 1 1.908 0 3 0 1.46260862183559 1480745 CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)CCO 1 2.588 2 4 -7.95278680782018 1480744 CCOC(=O)C1=CN=C2C(=C1Cl)C(=NN2C3=CC=C(C=C3)C)C 1 3.942 3 2 -2.74099918019723 1480743 C1=CC=C2C(=C1)C(=C(O2)C(=O)NNC(=O)C3=CC=CO3)N4C=CC=C4 1 2.738 3 4 0 -0.545116935304824 1480739 C1=CC=C2C(=C1)C(=C(O2)C(=O)NN)N3C=CC=C3 1 1.811 3 2 0 1.36951446723528 1480736 CC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C 1 4.061 3 3 -9.87976501385483 1480728 C1=CC=C(C=C1)C(=O)NN=CC2=COC3=CC=CC=C3C2=O 1 2.094 2 3 -5.37530110492088 1480718 CC1=C2C=C(C=CC2=NC(=C1C(=O)O)C(=O)O)N3CCOCC3 1 2.04 2 5 0 -1.05873189149781 1480717 COC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)/C=C/C(=O)O 1 1.644 1 6 0 -0.151992384741603 1480713 CC1=C(C(=O)N(N1S(=O)(=O)C2=C(C=C(C=C2Cl)Cl)Cl)C3=CC=CC=C3)CCO 1 3.917 2 4 -5.0687572867578 1480711 CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3)CCO 1 2.129 2 4 -9.06290847294175 1480710 COC1=C(C=C(C(=C1)C#N)NC(=S)N2CCOCC2)OC 1 2.582 3 3 -16.382825299193 1480703 CC1=C(C(=O)N(N1C(=O)C2=CC=C(C=C2)Cl)C)CCO 1 1.308 2 3 0 -3.7200690471478 1480702 CCN1C(=NNC1=S)C2=CC3=C(C=C2)N=CC=C3 1 2.637 4 0 -0.135281553083042 1480701 CC1=C2C=C(C=CC2=NC(=C1C(=O)OC)C(=O)OC)N3CCOCC3 1 2.491 2 5 0 -4.04000256752353 1480699 CC1=C(C(=O)NN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCO 1 3.5e-002 3 6 0 -10.4449205661986 1480695 CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)CCO 1 1.818 3 6 0 -11.8691832857642 1480680 COC(=O)C1=CC=C(C=C1)SCC2=CN=C(S2)Cl 1 3.22 1 2 -1.37239947187568 1480678 C1=CC=C(C=C1)CS(=O)(=O)CC2=CN=C(S2)Cl 1 2.356 1 2 -2.49465072928926 1480675 C1=CC(=CC=C1C(=O)O)SCC2=CN=C(S2)Cl 1 2.994 1 2 -0.252550423243686 1480671 C1=CC=C(C=C1)SCC2=CN=C(S2)Cl 1 3.365 1 0 2.10828837270026 1480667 COC1=CC=C(C=C1)OC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br 1 3.178 2 3 -0.478787032103589 1480662 CC1=NC2=CC(=NN2C(=C1)C(F)(F)Cl)C3=C(N(N=C3)C)C(F)(F)F 1 3.783 5 0 -7.63140161093484 1480657 CC1=NC2=CC(=NN2C(=C1)C(F)(F)F)C3=C(N(N=C3)C)C(F)(F)F 1 3.586 5 0 -9.75193048052808 1480656 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)NN=CC3=CC=C(C=C3)F 1 4.057 5 1 -7.78923857606874 1480655 C1CSC2=NC=C(C(=O)N21)C3=CC=NN3C4=CC=CC=C4F 1 2.68 4 1 -9.78554338810751 1480654 C1CSC2=NC=C(C(=O)N21)C3=CC=NN3C4=CC(=CC=C4)Cl 1 3.139 4 1 -3.99417737387371 1480653 C1CSC2=NC=C(C(=O)N21)C3=CC=NN3C4=CC=C(C=C4)F 1 2.68 4 1 -7.16998497165995 1480652 C1CSC2=NC=C(C(=O)N21)C3=CC=NN3C4=CC=C(C=C4)C#N 1 2.354 5 1 -10.5076011467959 1480646 COC1=CC=CC(=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4 1 4.507 3 3 -10.8261380823308 1480628 CC1=C(N2C(=C(C=N2)S(=O)(=O)C3=CC=CC=C3)N=C1C)C 1 2.257 3 2 -11.3893072564734 1480614 CC(C)(C)S(=O)(=O)C1=C(N2C(=C(C=N2)C3=CSC=C3)N=C1)N 1 1.533 4 2 0 -7.58966560642163 1480611 CC1=NN2C(=C1)N=CC(=C2N)S(=O)(=O)C3=CC=CC=C3 1 1.28 4 2 0 -11.1646456258046 1480594 COC1=CC=CC=C1C2=NC3=C(C=NN3C(=C2)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4 1 4.507 3 3 -15.9923642823776 1480592 C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4 1 4.523 3 2 -13.2231819392127 1480584 CC(C)(C)S(=O)(=O)C1=C(N2C(=C(C=N2)S(=O)(=O)C3=CC=CC=C3)N=C1)N 1 1.455 4 4 0 -12.9187873440393 1480583 CS(=O)(=O)C1=C(N2C(=C(C=N2)S(=O)(=O)C3=CC=CC=C3)N=C1)N 1 0.524 4 4 0 -15.3729109194778 1480563 COC1=CC=CC2=C1OC(=C2)C3=NC(=NC=C3)N 1 2.351 3 2 3.18771916518585 1480557 CCN1C(=O)C=C(NC1=S)C(F)(F)F 1 1.809 2 1 0 -1.56142835063309 1480554 COC1=CC=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)OC)CCO 1 3.373 2 3 3.23647263325399 1480553 CCCN1C(=O)COC2=C1C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43 1 2.366 3 3 -9.81853129555121 1480549 CC(C)SC1=NC(=CC(=O)N1C2=CC=CC=C2)C(F)(F)F 1 4.135 2 1 -5.15041660960803 1480548 CCCN1C(=O)COC2=C1C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O 1 2.732 1 5 -7.82625891618828 1480541 C1=CC=C(C=C1)N2C(=O)C=C(NC2=S)C(F)(F)F 1 3.036 2 1 -1.47039390978638 1480524 CN(C)C(=O)C1=CC(=CN1)C(=O)C2=C(C=C(C=C2)F)Cl 1 2.903 2 2 -0.298556773338287 1480523 CNC(=O)C1=CC(=CN1)C(=O)C2=CC=CC=C2C(F)(F)F 1 2.769 2 2 -4.5634308291427 1480507 COC1=CC=C(C=C1)C2=C(C(=NC(=N2)C3=CC=CC=C3)Cl)C#N 1 4.354 3 1 5.28770299695546 1480506 COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)C3=CC=CC=C3)C#N 1 2.488 3 2 -4.76394550280635 1480501 CONC(=O)C1=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F 1 2.866 1 4 -7.3240720860375 1480496 CNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)C3=CC=CC=C3 1 3.372 4 0 1.56368773363158 1480495 C1COCCN1C2=NC(=NC(=C2C#N)C3=CC=CC=C3)C4=CC=CC=C4 1 3.266 4 1 1.69617963149414 1480493 CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=CC=C3)C4=CC=CC=C4 1 3.535 5 0 6.26467115022057 1480490 CC(C)NC1=NC(=NC(=C1C#N)C2=CC=CC=C2)C3=CC=CC=N3 1 3.376 5 0 0.581482293411066 1480482 CCN(CC)C1=NC(=NC(=C1C#N)C2=CC=CC=C2)C3=CC=CC=N3 1 3.553 5 0 0.798272483499854 1480480 CC(=O)/C(=C/N(C)C)/C(=O)NC1=C(C=C(C=C1)Cl)Cl 1 2.124 2 2 0.821735794393854 1480476 CC(C)NC1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)C3=CC=NC=C3 1 3.612 5 0 4.02649769259171 1480468 CC(C)NC1=NC(=NC(=C1C#N)C2=CC=CC=C2)C3=CC=NC=C3 1 2.948 5 0 1.72998258568969 1480466 CC(C)NC1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)C3=CN=CC=C3 1 3.612 5 0 1.48379376825292 1480459 CC(C)NC1=NC(=NC(=C1C#N)C2=CC=CC=C2)C3=CN=CC=C3 1 2.948 5 0 -1.80749020388636 1480456 C1=CC=C2C(=C1)C(=NNC2=O)CC3=C(C=C(C=C3)Cl)Cl 1 3.861 2 1 -7.56376003735329 1480454 CN(C)C1=NC(=NC(=C1C#N)C2=CC=CC=C2)C3=CN=CC=C3 1 2.427 5 0 -1.51067525441122 1480448 C1=CC=C(C=C1)C2=C(C(=NC(=N2)C3=CC=NC=C3)Cl)C#N 1 3.22 4 0 5.04347578065724 1480439 CN(C)C1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)C3=CN=CC=C3 1 3.092 5 0 1.78060871772805 1480434 C1=CC=C(C=C1)C2=C(C(=NC(=N2)C3=CN=CC=C3)Cl)C#N 1 3.22 4 0 1.5060029910812 1480433 CN(C)C1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.242 4 0 4.505989651194 1480431 C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)C3=CC=NC=C3)C#N 1 1.354 4 1 0 -5.00817271910457 1480430 C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)C3=CN=CC=C3)C#N 1 1.354 4 1 0 -6.94063044844076 1480427 CN(C1=NC2=C(C=C1)C(=CC(=N2)C(F)(F)F)C(F)(F)F)N 1 2.757 4 0 -5.72332089663252e-002 1480426 CC1(CC2=C(C=NC3=C(C=NN23)C#N)C(=O)C1)C 1 0.968 4 1 0 -13.9316758410446 1480425 C1=CC=C2C(=C1)N=CC(=N2)SC3=CC=C(C=C3)Cl 1 4.616 2 0 6.32796018137353 1480420 COC1=CC=C(C=C1)C2=CC=NC3=C(C=NN23)C#N 1 1.912 4 1 0 -3.86024946914206 1480415 C1=CC=C(C=C1)C2=CC=NC3=C(C=NN23)C#N 1 1.928 4 0 0 -3.92179967631312 1480414 C1=CC(=CC(=C1)Cl)OC2=C(C=C(C=C2)C=NO)[N+](=O)[O-] 1 3.775 2 4 4.94526108063951 1480412 C1=CC(=CC=C1C2=C(N3C(=NC=N3)N=C2)N)F 1 1.757 5 0 0 -4.14095326599184 1480411 COC1=CC=C(C=C1)C2=C(N3C(=NC=N3)N=C2)N 1 1.535 5 1 0 -5.26579650060124 1480410 CC1=C(C=NC2=NC=NN12)C(=O)C 1 0.263 4 1 0 -11.0957272059248 1480401 C1=CC(=CC=C1OC2=C(C=C(C=C2)C=NO)[N+](=O)[O-])F 1 3.316 2 4 4.13683120073852 1480399 CS(=O)(=O)C1=CN=C(N=C1C2=CC=CC=C2Cl)C3=CC=CC=C3 1 3.808 2 2 4.02221204601099 1480396 CN(C)/C=C(/C(=O)C1=CC=CC=C1Cl)\S(=O)(=O)C 1 1.619 1 3 0 -4.54875456584857 1480394 CS(=O)(=O)C1=CN=C(N=C1C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3 1 4.473 2 2 4.38385733463961 1480380 C1=CC=C(C=C1)C2=NNC3=C2N=CC(=C3)C(F)(F)F 1 3.64 3 0 6.03779359356371 1480373 CN1C2=C(C(=N1)C3=CC=CC=C3)N=CC(=C2)C(F)(F)F 1 3.846 3 0 7.15813239272012 1480366 C1=CC(=CC=C1N/C=C(\C#N)/C(=O)CCl)OC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.296 3 2 1.36035250944552 1480364 CN(/C=C/C(=O)C1=CC=C(C=C1)Br)O 1 1.878 1 2 0 1.26831420728401 1480302 C1CN(CCN1C2=CC=C(C=C2)N)C3=CC=C(C=C3)F 1 3.08 3 0 5.67803313821887 1480291 CNC(=O)C1=C(C=CS1)S(=O)(=O)CC2=C(C=CC=C2Cl)Cl 1 3.429 1 3 -13.6901485084393 1480288 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCC3 1 3.724 2 1 -3.1894619048433 1480284 C1=CC(=C(C=C1Cl)Cl)CSC2=C(SC=C2)C(=O)O 1 4.867 0 2 -7.7629563873592 1480282 CNC(=O)C1=C(C=CS1)SCC2=C(C=CC=C2Cl)Cl 1 4.445 1 1 -11.8370205810996 1480279 CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCC3)Cl 1 3.428 2 3 -7.24888308236048 1480278 CC(C)C(=O)NC1=CC=C(C=C1)N2CCCC2 1 2.703 2 1 -7.71004556347774 1480272 CC(C)(C)C(=O)NC1=CC=C(C=C1)N2CCCC2 1 3.119 2 1 -8.96714506608752 1480268 C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.566 2 1 0.911001674282791 1480266 COC(=O)CS(=O)(=O)C1=C(SC=C1)C(=O)NC2=CC=C(C=C2)F 1 2.006 1 5 -13.2661856240364 1480263 CC(=O)NC1=CC=C(C=C1)N2CCCC2 1 1.573 2 1 0 -2.90739051027884 1480204 COC(=O)C1=C(C2=C(S1)C=C(C=N2)C(F)(F)F)C3=CC=CC=C3 1 4.577 1 2 2.97641713206617 1480206 C1=CC(=CC=C1C2=CC=NC3=NC(=NN23)SC4=C(C=C(C=N4)C(F)(F)F)Cl)Cl 1 6.486 5 0 4.05480263095128 1480249 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)Cl 1 3.417 3 1 -1.35303900775559 1480246 CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCCC3)Cl 1 3.884 2 3 -7.60335159652856 1480227 CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3)Cl 1 2.655 2 4 -9.19243771924133 1480226 COC1=CC=C(C=C1)NC(=O)C2=C(C=CS2)SCC3=CC(=CC=C3)C(F)(F)F 1 5.619 1 2 -6.64412406532947 1480225 CC1=CC=C(C=C1)NC(=O)C2=C(C=CS2)SCC3=CC(=CC=C3)C(F)(F)F 1 6.121 1 1 -6.23115785618533 1480202 CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SC2=CC=CC=C2 1 4.44 2 0 -1.67317977273713 1480196 CC(C)C(=O)ON=C1CCS(=O)(=O)C2=C1C=CS2 1 1.836 1 4 0 -6.32017187804401 1480195 CC(C)(C)C(=O)ON=C1CCS(=O)(=O)C2=C1C=CS2 1 2.253 1 4 -5.63722832809692 1480194 C1CC1C(=O)ON=C2CCS(=O)(=O)C3=C2C=CS3 1 1.464 1 4 0 -7.46199991269024 1480190 CSC1=NC(=O)C2=C(N1)CCCC2 1 2.022 2 1 -11.8869890413971 1480187 C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)CCl 1 3.272 1 1 -4.68772115213019 1480186 CC(C)(C)C1=CC(=C(C(=O)N1)C#N)C(F)(F)F 1 2.048 2 1 -2.75782930592674 1480183 C1CCN(C1)C2=C(C(=CC(=N2)C3CC3)C(F)(F)F)C#N 1 3.703 3 0 -4.53461405058594 1480180 CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=N2)NC 1 4.579 3 0 -6.7145399095136 1480176 C1CS(=O)(=O)C2=C(C1=NOC(=O)C3=C(C=CC=C3F)F)C=CS2 1 2.782 1 4 -3.58988710718808 1480173 CC1=CC=C(C=C1)C(=O)ON=C2CCS(=O)(=O)C3=C2C=CS3 1 2.857 1 4 -2.33505420872671 1480172 COC1=CC=C(C=C1)C(=O)ON=C2CCS(=O)(=O)C3=C2C=CS3 1 2.355 1 5 -2.6769774692358 1480171 COC1=CC=CC(=C1)C(=O)ON=C2CCS(=O)(=O)C3=C2C=CS3 1 2.355 1 5 -4.01343428984552 1480170 CC1=CC=CC=C1C(=O)ON=C2CCS(=O)(=O)C3=C2C=CS3 1 2.857 1 4 -3.58445407519844 1480167 C1CS(=O)(=O)C2=C(C1=NOC(=O)C3=CC=C(C=C3)F)C=CS2 1 2.576 1 4 -1.62317718326146 1480157 CN1C2=CC=CC=C2C(=C1Cl)C(=O)NC3=CC=C(C=C3)Cl 1 4.237 2 1 -2.28383050231706 1480156 CC1=CC=CC(=C1)C(=O)ON=C2CCS(=O)(=O)C3=C2C=CS3 1 2.857 1 4 -2.94582820481747 1480155 C1CS(=O)(=O)C2=C(C1=NOC(=O)C3=CC=CC=C3)C=CS2 1 2.371 1 4 -3.13070177623605 1480154 C1CCC2=C(C1)C(=O)N=C(N2)SCC3=CC=CC=C3Cl 1 4.27 2 1 -16.6543723944744 1480152 CN1CCN(CC1)CC(=O)NCC2=CC(=NO2)C3=CC=C(C=C3)OC 1 1.383 4 3 0 -4.77307572378193 1480149 CN(CC1=CC=CC=C1)CC(=O)NCC2=CC(=NO2)C3=CC=C(C=C3)OC 1 3.009 3 3 -5.89281080569567 1480148 CCN(CC)CC(=O)NCC1=CC(=NO1)C2=CC=C(C=C2)OC 1 2.123 3 3 -7.2987411249653 1480139 C1=CC(=CC(=C1)N2C=NNC2=O)C(F)(F)F 1 1.855 3 1 0 -0.508587697535936 1480135 C1=CC(=CC=C1N2C=NNC2=O)Br 1 1.661 3 1 0 -4.57809778613104 1480055 COC1=CC=C(C=C1)C(=O)C2=CC3=C(O2)C(=CC=C3)OC 1 3.796 0 4 0.258068466955835 1480047 CC1=C(N=CC=C1)NC(=S)N 1 1.955 3 0 0 -1.46223995581341 1480035 CC1=C(C2=C(C=C1)C=NN2)N 1 1.213 3 0 0 1.69160982598652 1480032 CC1=C(C2=C(C=C1)C=NN2)[N+](=O)[O-] 1 1.854 3 2 0 1.89358810216477 1480026 CC(=O)C(CC1=CC(=CC=C1)F)(CC2=CC(=CC=C2)F)C(=O)C 1 4.074 0 2 0.81429286864687 1480020 CC1=C(C=C(C=C1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)N4CCN(CC4)C)Cl 1 4.691 5 1 1.43275264549119 1480015 CC1=C(C=C(C=C1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)F)Cl 1 4.777 3 1 -1.33548469645496 1480005 CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)O 1 1.229 3 2 0 -2.97605866409006 1480004 CC1=C(SC(=N1)C2=CC=CC=C2)C3=CC=NN3 1 3.038 3 0 1.56412308693497 1480002 CNC(=O)C1=CC=C(C=C1)CNC(=O)OCC2=CC=CC=C2 1 2.392 2 3 -11.5173994822044 1479997 C1=CC=C(C=C1)COC(=O)NCC2=CC=C(C=C2)C(=O)O 1 2.813 1 4 -7.2155135973542 1479989 C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CSC4=C(C=C(C=C4)Cl)Cl 1 5.447 2 1 -3.64923154592018 1479988 C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CSC4=CC=CC=C4Cl 1 4.782 2 1 -7.01202980571082 1479987 C1COCCN1CCNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-] 1 1.912 3 4 0 -7.18769398310777 1479976 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC 1 3.812 1 4 -2.05274248444379 1479969 CCN(CC)C(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-] 1 2.989 2 3 -3.923500933689 1479966 CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=CC=C3 1 3.015 2 2 -4.90420309727704 1479961 C1CN(CCC1=NOC(=O)C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 2.93 2 4 -9.30414723925698 1479960 CC1=CC=C(C=C1)C(=O)ON=C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.752 2 4 -10.8910415865281 1479959 C1CN(CCC1=NOC(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 2.471 2 4 -10.1791645610629 1479958 C1CN(CCC1=NOC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 2.93 2 4 -9.0690428959413 1479957 CCN(CC)CC1(CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)Cl)O 1 2.698 2 2 1.17756295004378 1479952 CCOC(=O)C1=CN=C2C(=C1OC3=CC=CC=C3)C=CC=C2OC 1 3.764 1 4 -0.765646714820195 1479949 CCOC(=O)C1=CN=C2C=CC(=CC2=C1SC3=CC=CC=C3C(=O)OC)C 1 4.68 1 4 -3.1056808266397 1479948 CCOC(=O)C1=CN=C2C=CC(=CC2=C1SC3=CC=C(C=C3)F)C 1 5.03 1 2 3.38352784302632 1479947 CCOC(=O)C1=CN=C2C=CC(=CC2=C1SC3=CC=CC=C3)C 1 4.825 1 2 1.74848559224496 1479935 C1CN\2CCC1C(=O)C/C2=C\C3=C(C=CC=C3Cl)F 1 3.01 1 1 0.924663904242214 1479924 CC1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC=CO3 1 3.677 2 2 -6.29738939956958 1479889 COC1=CC=CC(=C1)CNC2=NC=NC3=C2C=CC(=C3)Cl 1 3.495 3 1 4.56802362951005 1479887 CN(C)CCN1C=CC(=O)C(=C1O)CC2=CC=C(C=C2)Cl 1 3.062 2 2 -1.95098853716019 1479885 C1=CC(=CC(=C1)Cl)CN2C=CC(=O)C(=C2O)CC3=CC=C(C=C3)Cl 1 5.171 1 2 1.19260980094836 1479884 CCN1C(=C(C(=C1C(=O)O)C#N)C(=O)C2=CC=CC=C2)C 1 2.828 2 3 -7.6752086920634 1479882 C1=CC=C(C=C1)CN2C=CC(=O)C(=C2O)CC3=CC=C(C=C3)Cl 1 4.507 1 2 -0.215752974126141 1479881 CCCN1C=CC(=O)C(=C1O)CC2=CC=C(C=C2)Cl 1 3.796 1 2 -2.03772952805057 1479880 CC1=C(C(=C(N1)C(=O)O)C#N)C(=O)C2=CC=CC=C2 1 2.273 2 3 -7.53243882642434 1479869 C1COCCN1CCCN2C=CC(=O)C(=C2O)CC3=CC=C(C=C3)F 1 2.353 2 3 -5.02908799882164 1479868 C1=CC(=CC=C1CC2=C(N(C=CC2=O)CCCN3C=CN=C3)O)F 1 2.269 3 2 0.920352593296285 1479859 C1=CC=C2C(=C1)C=CC=C2NC(=O)OCC3=CN=CS3 1 2.619 2 2 -6.84212480364279 1479852 COC1=C(SC=C1)NC(=O)OCC2=CC=C(C=C2)Cl 1 3.611 1 3 -2.55175495200906 1479848 CC(C)(C)C(=O)CN1C(=O)C(=C(C=N1)Cl)Cl 1 1.766 2 2 0 0.756436563947962 1479847 CSC1=NC2=CC=CC=C2C(=N1)SC3=CC=CC=C3 1 5.108 2 0 2.66849550101666 1479844 CSC1=NC2=CC=CC=C2C(=N1)SC3=CC=CC=C3Cl 1 5.772 2 0 1.30580029308711 1479843 CSC1=NC2=CC=CC=C2C(=N1)SC3=CC(=CC=C3)Cl 1 5.772 2 0 4.31487165229235 1479841 CSC1=NC2=CC=CC=C2C(=N1)SC3=CC=C(C=C3)Cl 1 5.772 2 0 5.582072413932 1479838 CSC1=NC2=CC=CC=C2C(=N1)OC3=CC4=CC=CC=C4C=C3 1 5.458 2 1 7.55304820316741 1479836 COC1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)SC 1 4.533 2 2 4.31045817009013 1479834 CSC1=NC2=CC=CC=C2C(=N1)OC3=CC=C(C=C3)F 1 4.755 2 1 5.58057797589909 1479828 C1CC2=CC=CC=C2N(C(=O)C1)CC3=CC=CC=C3 1 3.521 1 1 -4.8387649506112 1479822 COC(=O)CSC1=NC=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2 1 0.968 2 5 0 -20.6060642116413 1479767 C1=CC(=C(C(=C1)Cl)Cl)C(=O)OCC2=CN=C(S2)Cl 1 4.007 1 2 -2.3638629006745 1479774 C1CCN(CC1)C2=NC=C(S2)C=O 1 1.337 2 1 0 0.506524885268919 1479777 C1CSC2=C(C=CS2)C(=O)N1C(=O)C3=CC=CC=C3 1 2.839 1 2 -6.62404767564122 1479778 CC1=CC=C(C=C1)CN2C(=O)CCSC3=C2C=C(C=C3)Cl 1 4.366 1 1 0.390695807048046 1479779 C1CSC2=C(C=C(C=C2)Cl)N(C1=O)CC3=CC=CC=C3 1 3.88 1 1 -0.424119097731551 1479782 C1CSC2=C(C=C(C=C2)Cl)N(C1=O)CC3=CC=C(C=C3)Cl 1 4.544 1 1 0.22338023449117 1479816 CC(=NO)CN1C(=O)C(=C(C=N1)N2CCOCC2)Cl 1 -0.623 4 3 0 -5.32711789350456 1479815 CC1=CC=CC(=C1)C(=O)NN(C)C2=NC(=NC3=CC=CC=C32)SC 1 3.852 4 1 -4.16111015596731 1479814 CN(C1=NC(=NC2=CC=CC=C21)SC)NC(=O)C3=CC=C(C=C3)F 1 3.571 4 1 -3.52968977823527 1479813 CN(C1=NC(=NC2=CC=CC=C21)SC)NC(=O)C3=CC=CC=C3 1 3.365 4 1 -5.20562736822227 1479811 CN(C1=NC(=NC2=CC=CC=C21)SC)NC(=O)C3=CC=C(C=C3)Cl 1 4.03 4 1 -2.4195681131137 1479809 CC(=O)CN1C(=O)C(=C(C=N1)N(C)CC2=CC=CC=C2)Cl 1 1.206 3 2 0 -1.31671668673688 1479808 CC(=O)CN1C(=O)C(=C(C=N1)N2CCCCC2)Cl 1 0.54 3 2 0 -7.53292205347727 1479805 C=C1CSC2=NC3=CC=CC=C3C(=O)N12 1 2.304 2 1 -9.75561828829618 1479797 C1CSC2=C(C=C(C=C2)Cl)N(C1=O)CC3=CC(=CC=C3)Cl 1 4.544 1 1 0.273448062875735 1479795 CC(=O)CN1C(=O)C=C(C=N1)N2CCOCC2 1 -1.059 3 3 0 -6.24788016214559 1479792 CC(=O)CN1C(=O)C(=C(C=N1)N2CCOCC2)Br 1 -0.606 3 3 0 -9.41150982147063 1479791 CC(=O)CN1C(=O)C(=C(C=N1)Br)Br 1 0.388 2 2 0 -4.68029360770161 1479790 C1CCC(CC1)NCC(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.992 3 1 -6.70550299709015 1479753 C1=CC(=CC2=C1C=CN2)NC(=S)N 1 2.374 3 0 -1.93734285869212 1479752 C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)NC(=S)N 1 3.897 2 0 -1.20610258510409 1479751 C1=CSC(=C1)C(=O)OCC2=CN=C(S2)Cl 1 2.631 1 2 -4.34207109420625 1479748 C1=CC=C2C=C3C(=CC2=C1)C=CC=C3NC(=S)N 1 3.897 2 0 -1.5207729475151 1479747 CC1=CC=CC(=C1)C(=O)OCC2=CN=C(S2)Cl 1 3.164 1 2 -2.89925862945019 1479746 C1=CC(=CC(=C1)Cl)NC(=O)OCC2=CN=C(S2)Cl 1 3.251 2 2 1.38855868413937 1479744 C1CN(CCN1CC2=CC=CC=C2)CC3=CN=C(S3)Cl 1 2.854 3 0 5.51027173906603 1479742 C1=CC(=C(C=C1NC(=O)OCC2=CN=C(S2)Cl)Cl)Cl 1 3.915 2 2 0.259778120647347 1479740 C1=CC=C(C=C1)NC(=O)OCC2=CN=C(S2)Cl 1 2.586 2 2 -0.700835709420944 1479736 COC(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F 1 3.576 1 3 0.74391955197644 1479728 CC(C)(CNC(=O)C1=CC(=CC=C1)OC)SCC2=CC=C(C=C2)F 1 4.007 1 2 -7.46543195736877 1479697 C1=CC=C(C(=C1)N2C=CC(=N2)C3=NN(C=CC3=O)C4=CC=CC(=C4)C(F)(F)F)F 1 5.148 4 1 5.63103454720372 1479693 C1=CC(=CC(=C1)N2C=CC(=O)C(=N2)C3=NN(C=C3)C4=CC(=CC=C4)Cl)C(F)(F)F 1 5.607 4 1 11.1821862772271 1479692 COC1=CC=C(C=C1)N2C=CC(=N2)C3=NN(C=CC3=O)C4=CC=CC(=C4)C(F)(F)F 1 4.926 4 2 8.07822038069874 1479691 C1=CC=C(C=C1)N2C=CC(=N2)C3=NN(C=CC3=O)C4=CC=CC(=C4)C(F)(F)F 1 4.943 4 1 7.72729985273047 1479685 CC1=CC=C(C=C1)N2C=CC(=N2)C3=NN(C=CC3=O)C4=CC=CC=C4 1 4.487 4 1 3.27003038101861 1479675 CC(=O)NC1=NC=C(C=C1)SC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F 1 3.447 3 2 -6.41829781139518 1479670 C1CN(CCC1C#N)C2=C(C=CC=C2C#N)C#N 1 2.101 4 0 0.372583691028672 1479664 CC1=CC(=C(C(=C1)C)CSC(C)(C)CNC(=O)C2=CC=C(C=C2)OC)C 1 5.26 1 2 -7.48472210218342 1479660 CC1=C(C(=CC=C1)C)N2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3 1 3.885 6 0 8.92820540713503e-002 1479659 CC1=CC=C(C=C1)N2C(=C(C=N2)Cl)C(=O)NC 1 2.706 3 1 -3.72498301764912 1479658 CNC(=O)C1=C(C=NN1C2=CC=CC=C2)Cl 1 2.22 3 1 -4.39147552823675 1479657 C1=C(C=NC(=C1Cl)S(=O)(=O)CC(=O)O)Cl 1 1.554 1 4 0 -6.10451954014315 1479655 COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3=CC=C(C=C3)F)Cl 1 3.299 2 3 2.77314187591794 1479653 COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl 1 4.423 2 3 1.68876287187696 1479652 CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)OC3=CC=C(C=C3)OC 1 3.58 2 3 2.06126485045269 1479651 CCOC(=O)CS(=O)(=O)C1=C(C=C(C=N1)Cl)Cl 1 2.129 1 4 -7.32645317463893 1479650 CN1C(=CN=C1S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-])CO 1 0.942 3 5 0 -17.2639075850306 1479649 CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(N2C)CO 1 1.534 2 3 0 -12.6270532462726 1479648 CN1C(=CN=C1S(=O)(=O)CC2=CC=C(C=C2)Cl)CO 1 1.712 2 3 0 -13.3475111070866 1479646 CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CO 1 1.047 2 3 0 -20.0758117450605 1479645 C1=CC=C(C=C1)CN2C(=CN=C2S(=O)(=O)CC3=CC=C(C=C3)Cl)CO 1 3.295 2 3 -22.4372447848251 1479644 C1=CC=C(C=C1)CN2C(=CN=C2S(=O)CC3=CC=C(C=C3)Cl)CO 1 3.199 2 2 0.174206487880799 1479640 C1=CC(=NC=C1C(F)(F)F)S(=O)(=O)CC(=O)O 1 1.168 1 4 0 -3.46541349614892 1479634 CC1=C(C=NO1)C2=CSC(=N2)C3=CC=CC=C3 1 2.757 2 1 5.71111100110668 1479633 CC1=C(C=NO1)C2=CSC(=N2)C3=CC=CC=C3Cl 1 3.421 2 1 5.15929141450614 1479623 C1=CC=C(C=C1)CNC2=C(C(=O)N(N=C2)C3=CC=C(C=C3)F)Br 1 2.954 3 1 -2.02660439560349 1479622 CN(CC1=CC=CC=C1)C2=C(C(=O)N(N=C2)C3=CC=C(C=C3)F)Br 1 3.49 3 1 1.39779460966344 1479619 CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N(C)C)Cl 1 2.103 3 1 1.43617783202901 1479618 CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)NC)Cl 1 1.567 3 1 0 -2.19622771079449 1479609 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC(=NO2)C3=CC=C(C=C3)Cl 1 4.569 1 3 0.779296233459683 1479608 C1=CC=C(C=C1)S(=O)(=O)CC2=CC(=NO2)C3=CC=C(C=C3)Cl 1 4.082 1 3 -0.116713405776473 1479607 C1=CC=C(C=C1)C2=NOC(=C2)CS(=O)(=O)C3=CC=CC=C3 1 3.418 1 3 -2.70625997472674 1479598 CC1=CC=C(C=C1)SCC2=CC(=NO2)C3=CC=C(C=C3)Cl 1 5.584 1 1 8.20032859582975 1479597 C1=CC=C(C=C1)SCC2=CC(=NO2)C3=CC=C(C=C3)Cl 1 5.098 1 1 7.27716337051364 1479596 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=NO3)C4=CC=C(C=C4)Cl 1 3.589 2 3 4.4473041264189 1479590 CC1=CC(=C(C=C1)OCC(=NO)C(C)(C)C)[N+](=O)[O-] 1 3.389 2 4 -2.86707917782197 1479588 C1=CC=C(C=C1)C2=NOC(=C2)CSC3=CC=CC=C3 1 4.434 1 1 4.68761680156338 1479587 C1=CC=C(C=C1)C2=NOC(=C2)CN3C(=O)C4=CC=CC=C4C3=O 1 2.924 2 3 1.98237602250448 1479579 C1=CC=C(C=C1)C2=NOC(=C2)CSC3=CC=C(C=C3)Cl 1 5.098 1 1 7.72581217951455 1479570 CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)F)CC=C 1 2.553 1 3 -6.32655426415433 1479561 CC(C)(C)C1=NN=C(O1)C2=CC3=C(S2)N(N=C3C(F)(F)F)C 1 3.988 4 1 -1.01309648775649 1479550 C1CC1C(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F)Cl 1 4.263 2 2 0.460616462411091 1479546 C1CC(=NNC2=CC=C(C=C2)F)C(=O)NC1 1 1.57 3 1 0 -10.0248194749361 1479524 CC(C)SCC1=CC(=NC(=N1)C2=CC=CC=C2)N3CCCC3 1 3.703 3 0 2.04373485095391 1479468 CC1=NC(=CC(=N1)N2CCN(CC2)C3=CC=CC=C3F)CS(=O)(=O)C4=CC=CC=C4 1 3.247 4 2 -5.34408829349421 1479470 CC1=NC(=CC(=N1)SC2=CC=CC=C2Cl)CS(=O)(=O)C3=CC=CC=C3 1 4.653 2 2 -9.67965813247013 1479471 CC1=NC(=CC(=N1)SC2=C(C=C(C=C2)Cl)Cl)CS(=O)(=O)C3=CC=CC=C3 1 5.317 2 2 -6.45669777690113 1479476 CC1=NC(=CC(=N1)SC2=CC=CC=C2Cl)CS(=O)(=O)C3=CC=C(C=C3)Cl 1 5.317 2 2 -7.60936580715323 1479479 CC1=NC(=CC(=N1)N2CCOCC2)CS(=O)(=O)C3=CC=C(C=C3)Cl 1 1.765 3 3 0 -8.03090551290303 1479483 COCC1=CC(=NC(=N1)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl 1 5.012 2 1 7.18542627948951 1479487 CC1=C(SN=N1)NC(=O)OCC2=CC=C(C=C2)C(C)(C)C 1 3.529 3 2 -4.3615390788467 1479488 CC1=C(SN=N1)NC(=O)OCC2=CC=C(C=C2)C(F)(F)F 1 3.071 3 2 -3.34390634062571 1479510 COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2Cl)Cl)OCC3=CC=CC=C3 1 5.494 1 3 -5.79990784915067 1479504 COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2Cl)Cl)OC 1 3.91 1 3 -6.41772674812092 1479503 COC1=C(C=C(C(=C1)NC(=O)C2=C(C=CC=C2F)F)Cl)Cl 1 4.338 1 2 -7.77836150820361 1479490 CC1=C(SN=N1)NC(=O)OC 1 0.545 3 2 0 -9.09706899166036 1479489 CC1=C(SN=N1)NC(=O)OCC(C)(C)C 1 2.011 3 2 -9.37321121115551 1479464 CC1=NC(=CC(=N1)SC2=CC=C(C=C2)Cl)CS(=O)(=O)C3=CC=CC=C3 1 4.653 2 2 -4.55737141630828 1479463 CC1=NC(=CC(=N1)SC2=CC=C(C=C2)Cl)CS(=O)(=O)C3=CC=C(C=C3)Cl 1 5.317 2 2 -4.48768071928967 1479456 CC1=NC(=CC(=N1)NCC2=C(C=C(C=C2)Cl)Cl)CS(=O)C3=CC=C(C=C3)Cl 1 4.687 3 1 1.84850391653981 1479455 CC1=NC(=CC(=N1)NCC2=CC=CC=C2)CSC3=CC=C(C=C3)Cl 1 4.47 3 0 1.12433192585923 1479401 CCOC(=O)C1=C(C=NN1C2=CC=C(C=C2)C)C#N 1 2.917 3 2 -3.72507168273922 1479400 CC(=O)C1=CC=C(C=C1)OC2=C(N=CC(=C2)C(F)(F)F)C(=O)N 1 2.352 2 3 -1.46636754349499 1479382 C1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NC3=CC=CC=C3)C#N)N 1 3.994 3 1 -8.15845497523368 1479381 CC(C)SCC(=O)NC1=NC=C2CCC3=CC=CC=C3C2=N1 1 3.447 3 1 -3.3818631136389 1479313 CCOC(=O)CN1C(=C(N=C1S(=O)(=O)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4 1 6.051 2 4 -11.1002780812712 1479311 CC1=CC=C(C=C1)CS(=O)(=O)C2=NC(=C(N2CC#C)C3=CC=CC=C3)C4=CC=CC=C4 1 7.009 2 2 -7.73635663492511 1479309 CCOC(=O)CN1C(=C(N=C1S(=O)(=O)CC2=CC(=CC=C2)F)C3=CC=CC=C3)C4=CC=CC=C4 1 5.592 2 4 -9.86461363420581 1479292 CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4 1 5.757 2 4 -4.28102581867636 1479291 CC1=CC(=NC(=C1S(=O)(=O)CC2=CC=CC=C2)OC(C)C)C 1 3.806 1 3 -9.68598667367628 1479288 CC1=CC(=NC(=C1S(=O)(=O)C2=C(C(=CC=C2)Br)C)Cl)C 1 4.659 1 2 -2.41342333269537 1479287 CC1=CC(=NC(=C1S(=O)(=O)CC2=CC=CC=C2)Cl)C 1 3.431 1 2 -6.85184918526681 1479286 CC1=CC(=C(C(=O)N1)S(=O)(=O)C(C)C)C 1 0.592 1 3 0 -14.6730087254541 1479285 CC1=CC(=C(C(=O)N1)S(=O)(=O)CCC(C)C)C 1 1.447 1 3 0 -18.4090653516383 1479284 CC1=CC(=C(C(=O)N1)S(=O)(=O)CC2=CC=CC=C2)C 1 1.45 1 3 0 -16.5622812951183 1479283 CC1=CC(=C(C(=O)N1)S(=O)(=O)C2=C(C(=CC=C2)Br)C)C 1 2.677 1 3 -12.1238554425468 1479279 CC1=CC=C(C=C1)CN2C=CC(=O)C(=C2C)OCC3=C(C=CC=C3Cl)Cl 1 5.068 1 2 -3.17419668413918 1479277 CC1=C(C(=O)C=CO1)OCC2=CC=C(C=C2)F 1 1.792 0 3 0 -0.247359136074776 1479274 CN1C(=NN=C1SC)C2=C(C3=C(S2)C=C(C=N3)C(F)(F)F)C4=CC=CC=C4 1 5.3 4 0 3.36809065386907 1479270 CN1C(=NNC1=S)C2=C(C3=C(S2)C=C(C=N3)C(F)(F)F)C4=CC=CC=C4 1 4.993 4 0 1.57059500717186 1479267 C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=N2)C(F)(F)F)O 1 3.021 1 3 -3.80430959115842 1479266 C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.927 1 2 -3.79946569524634 1479264 C1=CN(C(=C1)C(=O)NC2=C(C=C(C=C2)F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.188 3 1 0.120360268431467 1479260 CC1=C(OC2=CC=CC=C12)/C=C/C(=O)OC 1 3.234 0 3 1.37932753112426e-002 1479257 C1=CN(C(=C1)C(=O)NC2=CC=C(C=C2)Br)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.525 3 1 0.503933351266104 1479252 CC1=CC(=CC(=C1)NC(=O)C2=CC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl)C 1 5.749 3 1 -0.390007497270985 1479239 C1CC2(CCC13NC(=O)N(N3)C4=CC=C(C=C4)Cl)OCCO2 1 1.124 3 3 0 -1.47216269862471 1479237 CC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.238 1 5 -8.91704054454008 1479202 C1=CC(=C(C(=C1)F)C(=O)NCCS(=O)(=O)C2=CC=C(C=C2)Br)F 1 3.372 1 3 -13.1692730739509 1479194 C1=CC(=CC=C1C(=O)NCCS(=O)(=O)C2=CC=C(C=C2)Br)Cl 1 3.625 1 3 -10.3874830274065 1479193 C1=CC=C(C(=C1)C(=O)NCCS(=O)(=O)C2=CC=C(C=C2)Br)Cl 1 3.625 1 3 -12.9787538575987 1479187 COC1=CN=C(N=C1Cl)SCC2=C(C=CC=C2Cl)Cl 1 4.883 2 1 -4.67622224047737 1479185 C1=CC(=CC(=C1)Cl)C(=O)NCCS(=O)C2=CC=C(C=C2)Cl 1 3.445 1 2 -0.845266341697772 1479184 C1=CC=C(C=C1)C(=O)NCCS(=O)(=O)C2=CC=C(C=C2)Br 1 2.961 1 3 -13.0051292855027 1479183 C1=CC(=CC=C1S(=O)(=O)CCNC(=O)C2=C(C=C(C=C2)Cl)Cl)Br 1 4.289 1 3 -8.63321618880175 1479182 C1=CC(=CC=C1C(=O)NCCS(=O)(=O)C2=CC=C(C=C2)Br)F 1 3.166 1 3 -11.4976046925281 1479169 COC1=CN=C(NC1=O)SCC(=O)O 1 -0.377 2 4 0 -11.9735795781064 1479164 CC1=CC2=C(C(=C1C)NS(=O)(=O)C3=C(C=C(C=C3)Cl)Cl)N=CN2CC4=CC(=CC=C4)OC 1 5.907 3 3 -1.87054599803661 1479159 C1=CC(=CC=C1C2=CN=C(C(=C2)C#N)SC3=CC=C(C=C3)F)Cl 1 5.604 2 0 5.25580854162392 1479154 CC1=CC2=C(C(=C1C)NS(=O)(=O)C)N=CN2CC3=CC=C(C=C3)OC 1 3.002 3 3 -5.81056304305465 1479153 C1=CC=C(C=C1)SC2=NC=C(C=C2C#N)C3=CC=C(C=C3)Cl 1 5.398 2 0 3.62076629084256 1479138 CN(C)/C=C(\C=O)/C1=C(C=CC=C1Cl)Cl 1 2.779 1 1 -0.187727419431852 1479137 C=CCN1C=C(C=C(C1=O)C#N)C2=CC(=CC=C2)Cl 1 2.481 2 1 -3.69706285693122 1479131 CN(C)C1=NC=C(C(=N1)SC2=CC(=CC=C2)Cl)OC 1 3.42 3 1 1.18626364967967 1479121 C1=CC(=CC(=C1)Cl)C2=CNC(=O)C(=C2)C#N 1 1.658 2 1 0 -0.250732732437866 1479120 CC1=CC(=CC=C1)CN2C(=NC3=C2C=C(C(=C3N)C)C)C 1 4.107 3 0 -0.34486270815984 1479118 CC1=CC2=C(C(=C1C)[N+](=O)[O-])N=C(N2)C 1 2.473 3 2 0.348483261294332 1479115 CC1=CC=CC=C1CN2C=NC3=C2C=C(C(=C3NS(=O)(=O)C)C)C 1 3.504 3 2 -5.86791799683702 1479113 CN(C)/C=C(\C=O)/C1=CC(=CC=C1)Cl 1 2.115 1 1 2.74915523620143 1479108 CC1=CC2=C(C(=C1C)N)N=CN2CC3=CC(=CC=C3)OC 1 3.344 3 1 -1.78121663879622 1479107 CC1=CC2=C(C(=C1C)[N+](=O)[O-])N=CN2CC3=CC(=CC=C3)OC 1 3.985 3 3 -0.892934868972811 1479104 CN1C=C(C=C(C1=O)C#N)C2=CC=CC=C2 1 1.199 2 1 0 -5.07411855053987 1479099 C1=CC=C(C=C1)C2=CN(C(=O)C(=C2)C#N)CC3=C(C=CC=C3Cl)Cl 1 4.112 2 1 -5.58643717513107 1479086 CC(=NOCC1=C(C=C(C=C1)Cl)Cl)C2=CC=C(S2)CC#N 1 4.747 2 1 1.32001519085421 1479083 CC(=NOC)C1=CC=C(S1)CC#N 1 1.834 2 1 0 -2.31882799427517 1479067 C1=CC=C(C(=C1)C=O)OCC2=C(SN=N2)Cl 1 2.375 2 2 -2.08286855165806 1479043 CCN1C(=NNC1=S)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 1.961 4 2 0 -7.79368244533154 1479042 C=CCN1C(=NNC1=S)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.229 4 2 -12.3683998208155 1478973 CC1=CC=C(C=C1)N2C(=O)CS(=O)(=O)CC2=O 1 0.577 1 4 0 -5.96105202673062 1478970 C1=CC(=CC(=C1)NC(=O)CS(=O)CC(=O)O)C(F)(F)F 1 0.743 1 4 0 0.995420771929188 1478962 C1C(=O)N(C(=O)CS1)CC2=CC(=C(C=C2)Cl)Cl 1 2.443 1 2 -1.40552914025362 1478961 CC1=CC(=NC(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=CC=C3Cl)F)C 1 5.391 1 4 -9.29421314262033 1478960 CC1=CC(=NC(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3Cl)F)F)C 1 5.597 1 4 -6.96308479857151 1478952 CC1=CC(=NC(=N1)C)OC(=O)C2=C(C=C(C=C2F)F)F 1 2.877 2 2 -6.0181675429179 1478947 CC1=CC(=NC(=N1)C)OC(=O)C2=CC(=C(C=C2Cl)F)F 1 3.336 2 2 -5.30971716474612 1478943 C1C(=O)N(C(=O)CS1)CC2=C(C=C(C=C2)Cl)Cl 1 2.443 1 2 -1.04794476014803 1478884 C1=CC=C(C=C1)C2=C(N=C(C3=C2C=CC=C3F)Br)N 1 4.086 2 0 3.87950631940709 1478885 C1=CC2=C(C(=C1)F)C(=NC(=C2C3=CC=C(C=C3)F)N)Br 1 4.292 2 0 4.63981593132434 1478886 C1=CC2=C(C(=C1)F)C(=NC(=C2C3=CC=C(C=C3)Cl)N)Br 1 4.751 2 0 6.27341565283389 1478939 C1=CC(=CN=C1)C(=O)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.968 2 1 0.424223512355563 1478938 COC1=CC=C(C=C1)C(=O)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.102 1 2 2.05627064424954 1478930 CC1=NN2C=C(C=NC2=C1)C(=O)N 1 -0.613 4 1 0 -5.58022572950402 1478928 C1=CN(C=C1)C2=NN3C(=CC=NC3=N2)C4=CC=C(C=C4)F 1 3.79 5 0 0.697932768795948 1478924 C1=C(C=NC(=C1Cl)SC2=NC=NN2)C(F)(F)F 1 3.245 4 0 -1.15922646156847 1478923 C1=CC(=CC=C1C(=O)/C=C/SC2=NC=NN2)Cl 1 2.742 3 1 -1.40285421256527 1478921 CC1=NN2C=C(C=NC2=C1Br)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.537 4 0 5.40666774350381 1478913 CC1=NN2C=C(C=NC2=C1)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 2.788 4 0 4.68932287527158 1478911 C1=CC(=CC=C1C2=C3N=CC(=CN3N=C2)C4=C(C=C(C=N4)C(F)(F)F)Cl)Cl 1 4.688 4 0 6.99068741416473 1478871 CN(C)/C=C/C(=O)C1=CC=CC=C1F 1 1.93 1 1 0 -1.29291453064916 1478869 C1CN(CCC1=CC(=O)NNC(=O)NC2=CC=CC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.826 5 2 0 -0.719430589415064 1478858 COC1=CC=C(C=C1)C=NNC(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.296 4 2 2.14577936655309 1478850 C1CN(CCC12N(CCO2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=C(C=C(C=N4)C(F)(F)F)Cl 1 4.14 4 4 0 -2.83558297217209 1478849 CC1=CC=CC=C1NC(=O)C2=CN=C(C=C2)N3C=NC=N3 1 2.031 5 1 -11.9142756944847 1478807 CC(=O)OCC1=C(N(N=C1C(F)(F)F)C)SCC2=CC=C(C=C2)Cl 1 4.539 2 2 -2.07601546582691 1478845 COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2 1 2.763 1 3 1.243978927718 1478843 COC1=C(C=C(C=C1)C2=NC(=CS2)C3=NNC(=S)N3CC=C)OC 1 3.495 4 2 -8.32010673195923 1478842 CN1C(=NNC1=S)C2=CSC(=N2)C3=CC(=CC=C3)C(F)(F)F 1 3.853 4 0 4.81855523617977 1478840 C1C(=CC2=CC=CC=C2O1)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.108 1 2 3.27703383007556 1478838 C1=CC(=CC=C1C2=CN(C(=N2)N)N)Cl 1 1.631 4 0 0 9.69104618148675 1478836 C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)NN 1 2.091 3 1 3.81270760152169 1478834 C1=CC=C2C=C(C=CC2=C1)S(=O)C3=CN=NS3 1 2.414 2 1 2.63484634556342 1478832 C1C(=CC2=CC=CC=C2O1)C(=O)NC3=C(C=C(C=C3)Cl)Cl 1 4.108 1 2 3.57977449208269 1478827 C=CCN1C(=NNC1=S)C2=CSC(=N2)C3=CC=C(C=C3)Cl 1 4.192 4 0 -1.48515875733223 1478826 COC1=CC=CC=C1NC(=O)C2=CN=C(C=C2)N3C=NC=N3 1 1.529 5 2 0 -12.8812976660477 1478824 COC1=CC2=C(C=C1)OCC(=C2)C(=O)OCC3=CN=CC=C3 1 2.267 1 4 2.5159266438702 1478817 COC1=CC2=C(C=C1)OCC(=C2)C(=O)NCC3=CC=C(C=C3)Cl 1 3.434 1 3 1.81578311986566 1478815 CCN1C(=NNC1=S)C2=CSC(=N2)C3=CC=C(C=C3)Cl 1 3.924 4 0 2.88347526484664 1478801 CC(C)NC(=O)C1=CC2=C(C(=CC=C2)OC)OC1 1 1.913 1 3 0 -7.03413372391393 1478799 CCC(=O)OCC1=C(N(N=C1C(F)(F)F)C)OC2=CC=CC(=C2)C(F)(F)F 1 4.919 2 3 0.987457533016408 1478798 CC(=O)OCC1=C(N(N=C1C(F)(F)F)C)OC2=CC=CC(=C2)C(F)(F)F 1 4.252 2 3 2.52559183935442 1478796 CN1C(=NNC1=S)C2=CSC(=N2)C3=CC=CC=C3 1 2.911 4 0 0.829553589548379 1478794 COC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C(=CC=C3)OC)OC2 1 2.753 1 4 -3.96875189286223 1478791 COC1=CC=CC2=C1OCC(=C2)C(=O)NCC3=C(C=C(C=C3)Cl)Cl 1 4.099 1 3 -2.1081428136894 1478786 CCC(=O)OCC1=C(N(N=C1C(F)(F)F)C)SC2=CC=C(C=C2)Cl 1 5.199 2 2 1.67895096781748 1478785 CC1=C(SC(=N1)C2=CC=CC=C2)C3=NN=C(N3C)SC 1 3.362 4 0 2.7551494064033 1478783 CC1=C(SC(=N1)C2=CC=CC=C2)C3=NNC(=S)N3C 1 3.056 4 0 0.957653759706094 1478778 COC1=CC=CC2=C1OCC(=C2)C(=O)NC3=NC=CS3 1 1.76 2 3 0 -2.35664578845879 1478768 CCN1C(=NNC1=S)C2=C(N=C(S2)C3=CC=CC=C3)C 1 3.405 4 0 0.715060328102338 1478765 CC(=O)OCC1=C(N(N=C1C(F)(F)F)C)OC2=CC=CC=C2 1 3.31 2 3 0.111462977843022 1478763 CCC(=O)OCC1=C(N(N=C1C(F)(F)F)C)SC2=CC=C(C=C2)F 1 4.74 2 2 0.29005563663308 1478759 C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)NCC3=CC=C(C=C3)Cl 1 4.115 1 2 2.2650688253988 1478758 C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)NC3=CC(=CC=C3)Cl 1 4.108 1 2 6.00494034857986 1478757 CCN1C(=NNC1=S)C2=CSC(=N2)C3=CC=CC=C3 1 3.259 4 0 0.586960157944622 1478755 C1=CC(=CC=C1C(F)(F)F)OC2=C(N=CC(=C2)C(F)(F)F)C(=O)N 1 3.554 2 2 3.19709318112935 1478747 C1=CC(=CN=C1)OC2=C(N=CC(=C2)C(F)(F)F)C(=O)N 1 1.462 3 2 0 -1.83710864428018 1478745 COC1=CC=C(C=C1)OC2=C(N=CC(=C2)C(F)(F)F)C(=O)N 1 2.596 2 3 1.69007220695798 1478735 C1=CC(=CC=C1OC2=C(N=CC(=C2)C(F)(F)F)C(=O)N)F 1 2.818 2 2 2.68141834670409 1478734 C1=CC(=CC(=C1)F)OC2=C(N=CC(=C2)C(F)(F)F)C(=O)N 1 2.818 2 2 4.37188086665133 1478731 C1=C(C=NC(=C1Cl)C(=O)N)C(F)(F)F 1 1.716 2 1 0 1.49359631649173 1478724 C1=CC(=CC(=C1)OC2=C(N=CC(=C2)C(F)(F)F)C(=O)N)C(F)(F)F 1 3.554 2 2 2.73450250899759 1478722 C1=CC(=CN=C1)OC2=C(N=CC(=C2)C(F)(F)F)C#N 1 2.338 3 1 -2.29745529794814 1478719 CC(C)(C(=O)/C(=C/C1=CC=C(C=C1)OC)/C#N)N2C=NC=N2 1 2.128 4 2 -9.19428531132402 1478699 C1CC(=O)C(C(=O)C1)CC(=O)C2=CC=CC=C2 1 1.728 0 3 0 -7.35369562389301 1478697 C1CC2=C(C=CO2)C3=NC(=NC=C31)N 1 1.347 3 1 0 0.862699315891844 1478662 C1=CC=NC(=C1)C2=NC(=O)C(=C(N2)C(F)(F)F)Br 1 1.82 3 1 0 -2.0044863316602 1478661 C1=CC=C2C(=C1)C=NN(C2=O)C3=CC=C(C=C3)Br 1 3.384 2 1 -0.143931076289295 1478638 C1=CC=C(C=C1)N2C=C(N=N2)C=NO 1 1.844 4 1 0 4.11512896262693 1478622 CC(C)CC(=O)OCC1=CN(N=N1)C2=CC=CC=C2 1 2.953 3 2 -5.39433890204027 1478618 CC(C)(C)C(=O)OCC1=CN(N=N1)C2=CC=CC=C2 1 3.125 3 2 -3.37320798669465 1478615 C1=CC=C(C=C1)COC2=C(SC3=C2C=CC=N3)C(=O)O 1 3.228 1 3 -4.36184817011242 1478612 C1=CC=C(C=C1)N2C=C(N=N2)COC(=O)NC3=CC=C(C=C3)Cl 1 3.815 4 2 0.955091131537489 1478611 C1=CC=C(C=C1)N2C=C(N=N2)COC(=O)NC3=CC(=CC=C3)Cl 1 3.815 4 2 1.78456747113134 1478608 CC1=CC=C(C=C1)C(=O)OCC2=CN(N=N2)C3=CC=CC=C3 1 3.729 3 2 -2.61121062136117 1478607 CCNC(=O)OCC1=CN(N=N1)C2=CC=CC=C2 1 1.923 4 2 0 -5.02543344479335 1478603 CCOC(=O)COC1=C(SC2=C1C=CC=N2)C(=O)OC 1 1.926 1 5 0 -11.5281696496125 1478594 C1=CC=C(C=C1)NC(=O)OCC2=CN(N=N2)C3=CC=CC=C3 1 3.151 4 2 -1.31659315947092 1478570 COC(=O)C1=NN(C(=O)C=C1SC2=CC=CC=[N+]2[O-])C3=CC=C(C=C3)Cl 1 2.588 3 4 0 -3.8191169394296 1478566 COC(=O)C1=NN(C(=O)C=C1OC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.486 2 4 -1.80464727519699 1478561 C1=CC(=CC(=C1)N2C(=O)C=C3C(=N2)C(=O)NN3)C(F)(F)F 1 0.811 4 2 0 0.865125704933878 1478559 CC1=CC2=C(C=C1)OC(=C(C2=O)C(=O)O)C3=CC=CC=C3 1 3.212 0 4 1.40872823548051 1478512 CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CN(C2=O)CC3=CC4=C(C=C3)OC(O4)(F)F 1 4.722 2 5 0 -10.3077199343984 1478543 C1C2(COC(O1)C3=CC=CC=C3)CSC4=CC=CC=C4C2=O 1 3.162 0 3 -0.428176789117618 1478507 CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CN(C2=O)CC3=CC4=C(C=C3)OC(O4)(F)F 1 4.985 2 4 -9.0248240866512 1478505 C1=CN(C(=O)C(=C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F)CC3=CC4=C(C=C3)OC(O4)(F)F 1 4.955 2 4 -4.56325317999874 1478504 C1=CC(=CC(=C1)NC(=O)C2=CC=CN(C2=O)CC3=CC4=C(C=C3)OC(O4)(F)F)C(F)(F)F 1 4.955 2 4 -3.93304538192794 1478498 CN(C1=CC=CC=C1)C(=O)C2=CC=CN(C2=O)CC3=CC=CC=C3 1 2.416 2 2 -6.37634544933704 1478494 C1=CC=C(C=C1)CN2C=CC=C(C2=O)C(=O)NC3=C(C=C(C=C3)F)F 1 2.621 2 2 -6.85702414251774 1478492 C1=CC=C(C=C1)CN2C=CC=C(C2=O)C(=O)NC3=CC=CC=C3 1 2.21 2 2 -7.70708717587455 1478488 CN1C(=C(C(=N1)C(F)(F)F)C=NOC(=O)C2=CC=C(C=C2)Cl)Cl 1 4.288 3 2 5.43992827397945 1478487 CN1C(=C(C(=N1)C(F)(F)F)C=NOC(=O)C2=CC=CC=C2)Cl 1 3.623 3 2 3.63841101740177 1478485 CN1CCN(CC1)C(=O)C2=CC=CN(C2=O)CC3=C(C=CC=C3Cl)Cl 1 2.125 3 2 -7.4106447885769 1478481 CN1CCN(CC1)C(=O)C2=CC=CN(C2=O)CC3=CC(=CC=C3)Cl 1 1.461 3 2 0 -2.65002690811957 1478480 C1COCCN1C(=O)C2=CC=CN(C2=O)CC3=CC(=CC=C3)Cl 1 1.191 2 3 0 -6.97535973276392 1478479 CN(C)CCNC(=O)C1=CC=CN(C1=O)CC2=CC(=CC=C2)C(F)(F)F 1 1.714 3 2 0 -4.3060914853307 1478473 CN(C)C(=O)C1=CC=CN(C1=O)CC2=CC(=CC=C2)C(F)(F)F 1 1.782 2 2 0 -3.05091912408256 1478472 CNC(=O)C1=CC=CN(C1=O)CC2=CC(=CC=C2)C(F)(F)F 1 1.576 2 2 0 -5.19997788791429 1478456 C1COCCN1C(=O)C2=CC=CN(C2=O)CC3=CC(=C(C=C3)Cl)Cl 1 1.856 2 3 0 -7.41325599338396 1478450 C1=CC=C(C=C1)NC2=NC(=NC(=C2)C(F)(F)F)C3=CC=CC=N3 1 3.771 4 0 6.6902378253376 1478446 C1=CC=C(C(=C1)OC2=NC(=NC(=C2)C(F)(F)F)C3=CC=CC=N3)Cl 1 5.083 3 1 4.12507036886331 1478443 COC(=O)C1=CC=CC=C1OC2=NC(=NC(=C2)C(F)(F)F)C3=CC=CC=N3 1 4.274 3 3 -0.74138295828444 1478442 C1=CC=NC(=C1)C2=NC(=CC(=N2)OC3=CC=C(C=C3)C#N)C(F)(F)F 1 4.298 4 1 2.74675919052284 1478431 CC(C)(C(=O)N)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.594 4 1 2.36854624068278 1478418 CO/C(=C(\C#N)/N=CC1=CC=CC=C1Cl)/N 1 1.861 3 1 0 -1.46184845903294 1478416 C1=CC(=NC(=C1)F)N2C=C(C(=N2)N)C3=CC=C(C=C3)Cl 1 4.007 4 0 7.01297549959278 1478415 C1=CC=C(C=C1)C2=CN(N=C2N)C3=NC(=CC=C3)F 1 3.342 4 0 4.61906616616598 1478410 C1=CC=C(C=C1)SC2=NC=C(C=N2)C#N 1 2.569 3 0 1.56265728214005e-002 1478409 C1=C(C=NC(=N1)NN)C#N 1 -0.911 5 0 0 -2.48001294821341 1478363 CN(C)/C=C/1\C(=O)N(CS1(=O)=O)C2=CC=C(C=C2)OC 1 0.325 2 4 0 -4.88168329977682 1478361 CC(C)(C)S(=O)(=O)/C(=C/N(C)C)/C#N 1 0.36 2 2 0 -4.74141269984592 1478286 CC1=C(C(=NN1C2=CC=CC=C2)C)CC3=CC=C(C=C3)O 1 4.217 2 1 0.990920292309383 1478398 C1=CC(=C(C(=C1)Cl)Cl)C(=O)C2=CNC(=C2)C(=O)N 1 2.95 2 2 -0.378919651462576 1478397 CN1C=C(C=C1C#N)C(=O)C2=C(C(=CC=C2)Cl)Cl 1 4.032 2 1 -2.36153586157223 1478384 CNC(=O)C1=CC(=CN1)C(=O)C2=C(C=CC=C2Cl)Cl 1 3.156 2 2 -4.94802682930214 1478380 CN1C=C(C=C1C(=O)OC)C(=O)C2=C(C(=CC=C2)Cl)Cl 1 4.009 1 3 -1.76475828391608 1478325 CC1=CC2=C(C=C1)OC(=C(C2=O)C=O)N 1 1.266 1 3 0 1.6406810056111 1478328 CCC1=C(C=C2C(=O)C3=C(C=CC(=C3)C)OC2=N1)C(=O)OC 1 3.644 1 4 -2.58740984990041 1478332 CCOC(=O)C1=C(N=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C)C 1 3.325 1 4 -2.53800020071285 1478333 CC1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)OC)COC 1 2.713 1 5 -1.44487334596346 1478334 CC1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)C 1 2.751 1 4 -9.60643736089412e-002 1478335 CC1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)OC)C 1 2.977 1 4 -2.08249320169188 1478358 COC1=CC=C(C=C1)N2CS(=O)CC2=O 1 0.31 1 3 0 -4.55470183688572 1478356 COC(=O)C1=NN(C(=CC1=O)O)C2=CC=CC=C2 1 2.112 2 4 -3.5541454977989 1478354 CC1=CC=C(C=C1)N2C(=CC(=O)C(=N2)C(=O)O)O 1 2.373 2 4 -2.64675585639159 1478350 C1C(=O)N(CS1)C2=C(C=CC(=C2)Cl)Cl 1 2.767 1 1 -0.303702486273423 1478348 C1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)NC2=S 1 3.672 2 1 -4.55681866924595 1478337 CC1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)NC4=CC=CC(=C4)C(F)(F)F)C 1 4.848 2 3 2.7948726905439 1478284 C1CCN2C(=NN=C2C3=CC(=C(C=C3)Cl)Cl)C1 1 3.626 3 0 -1.54104317299296 1478283 CN(C)N1C=NC2=C(C1=O)SC=C2 1 0.623 3 1 0 -7.57078784188241 1478281 C1CCN2C(=NN=C2C3=CC=CC=C3)C1 1 2.297 3 0 -2.83162303683897 1478279 C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)Cl 1 3.417 3 0 0.351177317801088 1478277 C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)Cl 1 3.417 3 0 -0.889576444105029 1478275 C1CCC(=NCC1)NNC(=O)C2=CC=CC=C2 1 1.635 3 1 0 -8.19836105250596 1478274 CC1=CC=C(C=C1)NC(=O)NN(C)C2=C(C(=NN2C)Cl)Cl 1 3.549 5 1 -1.6894187638686 1478272 CN1C(=C(C(=N1)Cl)Cl)N(C)NC(=O)NC2=CC=C(C=C2)Cl 1 3.727 5 1 -0.683549074800259 1478253 C1=CC(=CN=C1)CSC2=NC3=C(O2)C=CC(=C3)Cl 1 3.536 2 1 -0.348350365660331 1478249 C1CSC2=CC=CC=C2N1C(=O)NC3=CC=CC=C3 1 3.089 2 1 -3.67752795407334 1478241 CC1=CC=C(C=C1)NC(=O)N2CCSC3=CC=CC=C32 1 3.575 2 1 -3.35246081868759 1478240 C1CSC2=CC=CC=C2N1C(=O)NC3=CC=C(C=C3)Cl 1 3.753 2 1 -1.53046212810077 1478238 C1CSC2=CC=CC=C2N1C(=O)NC3=CC=CC=C3Cl 1 3.753 2 1 -3.29456404169236 1478229 C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)CC(=O)O 1 1.794 2 3 0 4.29479640766103 1478216 C1=CC=NC(=C1)C2=NC3=C(O2)C=CC(=C3)CC(=O)O 1 2.223 2 3 3.60927804546043 1478214 CCC1=NC2=C(O1)C=CC(=C2)CC(=O)O 1 1.947 1 3 0 -3.79688103294997 1478208 C1CN(CCC1CC2=CC=CC=C2)C3=C4C=C(SC4=NC=N3)C(=O)NN 1 3.272 5 1 2.64802406840579 1478207 CCCC1=CC(=C(C(=O)N1)C#N)C(F)(F)F 1 1.911 2 1 0 -4.14505420105762 1478156 CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)SC 1 2.489 4 0 5.51666385093058 1478146 C1=CC(=CC(=C1)C(F)(F)F)C2=NC3=NC=NN3C=C2 1 3.129 4 0 4.09606739675294 1478145 CSC1=NN2C=C(C(=NC2=C1C#N)C3=CC=C(C=C3)F)CCN4CCOCC4 1 3.297 5 1 -1.72947547147367 1478199 C1CN(CCC1CC2=CC=CC=C2)C3=C4C=C(SC4=NC=N3)C(=O)O 1 4.392 3 2 4.45132528307153 1478197 C1CS(=O)(=O)CCN1CC2=CC(=C(C=C2)Cl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l)Cl)OC 1 3.075 3 4 0 -7.80321450600492 1478134 CC1=C(C(=CC=C1)N2CCN(CC2)CC3=C(C(=O)C=C(O3)CO)O)C 1 1.795 2 4 0 7.00643499728006 1478132 COC1=CC=C(C=C1)CS(=O)(=O)CC2(CCN(CC2)C(=O)C3=CC(=CC=C3)C(F)(F)F)O 1 2.64 1 5 0.322306353015909 1478131 CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)CC2(CCN(CC2)C(=O)C3=CC(=CC=C3)C(F)(F)F)O 1 4.057 1 4 2.52759095076987 1478130 C1CN(CCC1(CS(=O)(=O)CC2=CC=CC=C2)O)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 2.656 1 4 -0.176936569144328 1478129 C1CN(CCC1(CS(=O)(=O)CC2=CC=C(C=C2)Cl)O)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 3.321 1 4 2.55727125274687 1478128 C1CN(CCC1(CS(=O)(=O)CC2=CC=CC=C2Cl)O)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 3.321 1 4 1.82963432534324 1478127 CC1=CC=CC=C1CS(=O)(=O)CC2(CCN(CC2)C(=O)C3=CC(=CC=C3)C(F)(F)F)O 1 3.142 1 4 0.714500053770813 1478125 C1CN(CCN1CC2=C(C(=O)C=C(O2)CO)O)C3=CC=CC(=C3)C(F)(F)F 1 1.765 2 4 0 9.3258721827385 1478120 COC1=CC=C(C=C1)N2CCN(CC2)CC3=C(C(=O)C=C(O3)CO)O 1 0.806 2 5 0 3.32045469791104 1478119 C1CN(CCN1CC2=CC=CC=C2)CC3=C(C(=O)C=C(O3)CO)O 1 0.734 2 4 0 1.91054898169064 1478118 CSC1=NN2C=CC(=NC2=N1)C3=CC(=CC=C3)C(F)(F)F 1 4.192 4 0 6.80926039226264 1478113 C1=CC=C2C(=C1)C(=O)NC(=CO2)C3=CC=C(C=C3)Cl 1 2.655 1 2 0.909195508085229 1478107 C1=CC=C(C(=C1)C(=O)N)OCC(=O)C2=CC=C(C=C2)Cl 1 2.736 1 3 -4.17732706995452 1478076 C1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3N=C2N 1 2.911 2 2 -5.49048124731579 1478074 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3N=C2N 1 3.397 2 2 -4.42605861106723 1478069 CC(=NOC(=O)C1=CC(=CC=C1)C(F)(F)F)C2=NC=CN=C2 1 2.194 3 2 -0.828530906498617 1478068 CCOC1=C(C=CC=N1)C(=O)NCC2=CC=C(C=C2)OC 1 2.326 2 3 -12.1633067715065 1478066 COC1=CC=C(C=C1)C(=O)COC2=CC=CC=C2C(=O)N 1 2.055 1 4 -6.34124902105044 1478065 CCOC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)F 1 2.541 2 2 -7.69965039037691 1478062 CCOC1=C(C=CC=N1)C(=O)N=C2N(CCS2)C(=O)C3=C(N=CC=C3)OCC 1 3.198 4 4 0 -14.4645951122575 1478061 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)NNS(=O)(=O)C3=CC=CC=C3 1 2.743 5 3 0 -11.5076476986133 1478058 CC1=C(C(=NC(=C1Br)C)N2CCOCC2)C#N 1 1.844 3 1 0 -4.05227996058156 1478048 C1=CC=C(C=C1)N2C(=C3C(=NC2=O)C(=O)N=C(N3)C4=CC=CC=C4Cl)N 1 2.512 5 2 0 -4.65466153619035 1478046 C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(C=C2)N=CC=C3 1 3.46 4 1 -4.86072119290321 1478035 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)N=CC=C3 1 2.544 3 2 -2.64852147224271 1478034 C1=CC2=C(C=CC(=C2)C(=O)NN=CC3=CC=CS3)N=C1 1 2.823 3 1 -4.53400197105323 1478026 CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=C(C=C3)F 1 4.072 3 0 6.27519124186296 1478023 C1=CC=C(C(=C1)C(=O)C2=CN(N=C2)C3=CC=C(C=C3)C(=O)O)O 1 2.848 2 4 3.35381896944325 1478012 COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)O)C3=CC=CC=C3)OC 1 3.6 2 4 2.85252130816756 1477978 C1CCC2=C(C1)C(=O)N(N2)C3=CC=C(C=C3)C(=O)O 1 1.697 2 3 0 -9.3819509623866 1477976 CC1=C(C(=O)NN1C(=O)C2=C(C=CC=C2F)F)CCO 1 0.849 2 3 0 -5.77537937825277 1477975 CC1=C(C(=O)N(N1C(=O)C2=CC=C(C=C2)OC)C)CCO 1 0.627 2 4 0 -5.95503394687876 1477972 CC1=C(C(=O)NN1C(=O)C2=CC=C(C=C2)F)CCO 1 0.643 2 3 0 -4.03408734369866 1477967 CC1=C(C(=O)N(N1C(=O)C2=CC=C(C=C2)F)C)CCO 1 0.849 2 3 0 -4.83019071226937 1477966 CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C 1 -0.861 4 3 0 -8.44940226868144 1477960 CC1=C(C(=CC=C1)C)N2CCN(CC2)C3=CC(=NC(=N3)N)Cl 1 4.002 5 0 0.207771352822163 1477957 C1COCCN1C(=O)C2=CC3=C(S2)C=CC(=C3)C(F)(F)F 1 3.027 1 2 -0.751712769761937 1477955 CC1=CC=C(C=C1)OC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br 1 3.681 2 2 7.94557482401117e-002 1477952 CC(=O)OCN1C(=O)C(=C(C=N1)N2CCOCC2)Br 1 -0.366 3 4 0 -9.33924932193383 1477947 C1CCN(C1)C(=O)C2=CC3=C(C=CC=C3S2)F 1 3.063 1 1 -2.20438001267655 1477944 C1CC1NC(=O)C2=CC3=C(C=CC=C3S2)F 1 2.886 1 1 -4.14382482186321 1477936 CS(=O)(=O)C1=C(N2C(=C(C=N2)C3=CSC=C3)N=C1)N 1 0.601 4 2 0 -10.0437891818601 1477934 C1=CC=C(C=C1)S(=O)(=O)C2=C(N3C(=C(C=N3)C4=CC=C(C=C4)F)N=C2)N 1 2.722 4 2 -9.82011210901494 1477932 C1COCCN1C2=NC(=CS2)C(F)(F)F 1 1.427 2 1 0 -0.627213652063332 1477929 CC1=CC=C(C=C1)C(=O)C2=CN(N=N2)C3=CC(=C(C=C3)F)Cl 1 4.777 3 1 -0.58075468437862 1477916 CC1=C(C(=NC2=NC(=NN12)N)C)C/C=C/C3=CC=CC=C3 1 3.022 5 0 -1.31781113337512 1477913 CS(=O)(=O)C1=C(N2C(=C(C=N2)C3=CC=C(C=C3)F)N=C1)N 1 1.145 4 2 0 -7.53446267598205 1477912 CC1=NN2C(=C1)N=CC(=C2N)S(=O)(=O)C 1 -0.296 4 2 0 -8.95443010978981 1477909 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N3C(=CC(=N3)C)N=C2)N 1 1.767 4 2 0 -10.4569325809023 1477902 CC1=C(C(=NC2=NC=NN12)C)C/C=C/C3=CC=CC=C3 1 3.248 4 0 -7.28867313407956 1477887 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C3=NNC(=S)N3CC=C 1 3.887 6 0 -10.0612295031041 1477886 CCN1C(=NNC1=S)C2=CSC(=N2)N3C(=CC(=N3)C)C(F)(F)F 1 3.619 6 0 -5.69259548092523 1477883 CC1=NC2=C(C=NN2C3=C1CCC3)C4=CC=C(C=C4)Cl 1 3.632 3 0 -0.809783916184895 1477882 CC1=NC2=C(C(=NN2C3=C1CCC3)C)Br 1 2.48 3 0 -2.26584464087293 1477880 CC1=NC2=C(C(=NN2C3=C1CCC3)C)Cl 1 2.396 3 0 -2.60720864053552 1477877 CC1=NC2=C(C=NN2C3=C1CCC3)C4=CC=C(C=C4)F 1 3.173 3 0 -1.91990558130646 1477871 CC1=NN2C3=C(CCC3)C(=NC2=C1)C 1 1.732 3 0 0 -3.97564168996821 1477869 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)NN=CC3=CC(=CC=C3)OC 1 3.835 5 2 0 -8.31845064154289 1477864 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)NN=CC3=CC=C(C=C3)OC 1 3.835 5 2 0 -8.6353081446153 1477863 CC(C)(C)S(=O)(=O)C1=C(N2C(=C(C=N2)C3=CC=C(C=C3)Cl)N=C1)N 1 2.535 4 2 -3.97021743542203 1477845 C1=CC(=CC(=C1)N)C2=CN3C=CC=NC3=N2 1 1.385 4 0 0 4.19919760954265 1477841 C1=CN(C(=C1)C#N)C2=NC=CS2 1 1.873 3 0 0 -2.30959613471926 1477836 C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)C4=NC(=NC=C4)C5=CC=CC=N5 1 4.194 5 0 5.87262091309737 1477814 C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)C4=NC(=NC=C4)C5=CC=NC=C5 1 3.765 5 0 6.42792578782842 1477804 C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)C4=CC=NC5=NC=NN45 1 3.485 6 0 -2.56513427663517 1477797 CC1=NC=CC(=N1)C2=CC=C(C=C2)N3C=NC4=CC=CC=C43 1 3.251 4 0 3.48010068072312 1477794 CC1=NN=C(N1CCCN2CCOCC2)C3=C(N(N=C3)C)N 1 -0.498 7 1 0 -6.7504816243661 1477791 C1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)N4C=NC5=CC=CC=C54 1 4.916 4 0 6.32303640572116 1477785 CC1=NN=C(N1CC2=CC=CC=C2F)C3=C(N(N=C3)C)N 1 1.402 6 0 0 -7.75637153094768 1477780 CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC(=C(C(=C4)OC)OC)OC 1 3.34 4 3 0 6.73697239851398 1477777 C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)C4=NC(=NC=C4)N 1 3.07 5 0 3.54506788107009 1477776 CC1=NC=CC(=N1)C2=CC3=C(C=C2)OCO3 1 1.722 2 2 0 1.43028557388156 1477775 C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)C4=CC=CC=C4 1 3.386 2 2 4.441634295892 1477773 CSC1=NN2C(=CC=NC2=N1)C3=CC4=C(C=C3)OCO4 1 3.018 4 2 -1.77907345965344 1477772 CC1=NN=C(N1CC2=CC=C(C=C2)Cl)C3=C(N(N=C3)C)N 1 1.861 6 0 0 -4.31257376782712 1477771 CC1=NN=C(N1CC2=CC=CC=C2OC)C3=C(N(N=C3)C)N 1 1.18 6 1 0 -8.00251621686204 1477760 COC(=O)C1=C2C(=O)N(CCN2N=C1)CC3=CC=CS3 1 1.182 3 3 0 -8.75762384091741 1477753 C1CCN(C1)C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F 1 2.627 3 1 -6.51766118033058 1477735 CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC 1 4.399 4 3 0 -20.8418579085934 1477725 CCN1C(=NNC1=S)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.023 4 3 0 -16.639363187351 1477719 CC1=CC2=NC(=C(N2C=C1)C(=NOC(=O)C3=CC=CC=C3)C)C 1 3.062 3 2 -3.36533533883577 1477717 CC1=CC=C(C=C1)C(=O)ON=C(C)C2=C(N=C3N2C=CC(=C3)C)C 1 3.548 3 2 -3.03430637499759 1477707 CC1=C(C=NO1)C(=O)NC(C)C 1 0.363 2 2 0 -10.6210862971581 1477699 CC1=NC(=NC=C1C(=O)C)OC2=C(C=CC(=C2)Cl)Cl 1 3.483 2 2 -3.17404146829406 1477696 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)C3C(=O)CC(CC3=O)(C)C 1 2.217 1 5 -16.1666160035624 1477695 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)C3C(=O)CCCC3=O 1 1.759 1 5 0 -14.9820641258154 1477694 CC1=NC(=NC=C1C(=O)C)SCC(=O)O 1 0.618 2 3 0 -11.5883080337162 1477689 CC1=C(SC(=N1)C2=CC=CC=C2)C3=NC(=NC=C3S(=O)(=O)C4=CC=CC=C4)C5=CC=CS5 1 5.628 3 2 -0.96653455136584 1477688 CC1=C(SC(=N1)C2=CC=CC=C2)C3=NC(=NC=C3S(=O)(=O)C4=CC=CC=C4)C5=CN=CC=C5 1 4.524 4 2 -1.35492351691524 1477687 CC1=C(SC(=N1)C2=CC=CC=C2)C3=NC(=NC=C3S(=O)(=O)C4=CC=CC=C4)C5=CC=NC=C5 1 4.524 4 2 2.23285329022035 1477684 CC1=C(SC(=N1)C2=CC=CC=C2)C3=NC(=NC=C3S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5 1 5.675 3 2 1.22512419858679 1477681 CC1=C(C(=CC=C1)NC(=O)C2=C(C=CS2)N3C=CC=C3)C 1 4.416 2 1 -5.27375268089436 1477680 CC1=C(C=CC=C1Br)NC(=O)C2=C(C=CS2)N3C=CC=C3 1 4.678 2 1 -5.68472879460187 1477679 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)CSC3=CC=C(C=C3)F 1 4.787 1 1 2.76728019044141 1477678 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)CSC3=CC=CC=C3 1 4.582 1 1 0.839206477611795 1477665 CC1=CC=C(C=C1)SCC(=O)C2=C(N=C(S2)C3=CC=CC=C3)C 1 5.068 1 1 1.86710657064235 1477664 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)CSC3=CC=C(C=C3)Cl 1 5.246 1 1 3.87740185556297 1477663 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)CSC3=CC=C(C=C3)Br 1 5.33 1 1 2.42074211046154 1477661 CN(C)/C=C/C(=O)C1=CN=C(S1)C2=CC=CC=C2Cl 1 3.061 2 1 2.12607589405195 1477659 C1=CC(=NC(=C1)Cl)N2C(=O)C(=CN2)N3C=NC=N3 1 7.e-003 6 1 0 -7.03538473880361 1477653 CC(=O)C1=CN=C(S1)C2=CC=CC=C2Cl 1 2.906 1 1 1.2220257210808 1477652 CC1=C(SC(=N1)C2=CC=CC=C2Cl)C(=O)/C=C/N(C)C 1 3.343 2 1 0.619100896947961 1477648 C1=CC(=CC=C1CC(=O)O)OC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.05 1 3 4.29644929527053 1477645 CC1=C(SC(=N1)C2=CC=CC=C2Cl)C(=O)C 1 3.188 1 1 -0.404885733311068 1477644 C1=CC=C2C(=C1)C(=CN2)CCNC3=NC(=CC=C3)F 1 3.339 3 0 -1.19281050115613 1477643 CC1=C(C=CC(=C1)Cl)NC(=O)CN2C=NC=N2 1 1.582 4 1 0 -11.9228049674499 1477637 CC1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)CCN4CCS(=O)(=O)CC4 1 4.075 2 3 -1.11603502729918 1477633 CC1=CC=C(C=C1)C(=O)N2C3=C(C(=CC(=N3)C)C)C(=N2)N4C=CC=C4 1 4.846 4 1 -4.20397789181501 1477623 CCNC(=O)NC1=CN=C(C=C1)N2C(=C(C(=N2)C)C(=O)OCC)C 1 1.542 5 3 0 -9.22581437092035 1477620 CC1=CC(=NC2=C1C(=NN2)NC(=S)N)C 1 1.608 5 0 0 -2.99970250687979 1477619 C1CS(=O)(=O)CCN1CCC2=CN(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl 1 5.053 2 2 -1.5247043467067 1477617 CC1=CC(=CC=C1)CN2C3=C(C(=CC(=N3)C)C)C(=N2)N4C=CC=C4 1 4.982 4 0 -4.48585744083868 1477616 CC1=CC(=NC2=C1C(=NN2CC#N)N3C=CC=C3)C 1 2.642 5 0 -4.55036380048288 1477615 C1=CC(=C(C(=C1)F)C(=O)OCC2=CN=C(S2)Cl)F 1 3.089 1 2 -3.14141008638155 1477614 C1=CC=C(C(=C1)C(=O)OCC2=CN=C(S2)Cl)Cl 1 3.343 1 2 -3.01186028693103 1477606 C1CS(=O)(=O)CCN1CCC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)C(F)(F)F 1 4.666 2 2 0.53487106517464 1477605 CC1=CC(=NC2=C1C(=NN2)NC(=S)NC(=O)C3=CC=CC=C3)C 1 3.294 5 1 -8.7155650360305 1477597 C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=N2)N 1 1.574 2 2 0 -9.05391408716785 1477595 C1=CC=C(C=C1)S(=O)(=O)C2=NC=C(C=C2)[N+](=O)[O-] 1 2.215 2 4 -8.15539836769161 1477578 C1=CC(=CC(=C1)OCC2=C(C=CC=C2Cl)F)C3=NN(C=C3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 6.679 2 3 9.84866568845547e-002 1477577 C1=CC(=CC(=C1)OCC2=C(C=CC=C2Cl)F)C3=NN(C=C3)S(=O)(=O)C4=CC=C(C=C4)F 1 6.22 2 3 -0.718984063106514 1477575 C1=CC(=CC(=C1)OCC2=C(C=C(C=C2)Cl)Cl)C3=NN(C=C3)S(=O)(=O)C4=CC=C(C=C4)F 1 6.679 2 3 4.50608957785112 1477573 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=NC(=NC=C2)C3=CN=CC=C3)C 1 3.006 4 2 -0.895937699133807 1477570 CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=N2)C3=CC(=CC=C3)OCC4=C(C=CC=C4Cl)F 1 6.501 2 3 -0.907383032183786 1477569 CC1=CC=C(C=C1)C(=O)NC2=NC(=NC=C2)C3=CN=CC=C3 1 2.33 4 1 -4.08588983676277 1477566 CC1=CC=C(C=C1)NC(=O)NC2=NC(=NC=C2)C3=CN=CC=C3 1 2.238 5 1 -2.63815044160465 1477565 COC1=CC=C(C=C1)C(=O)NC2=NC(=NC=C2)C3=CN=CC=C3 1 1.828 4 2 0 -4.4988560459069 1477562 C1=CC(=CN=C1)C2=NC=CC(=N2)NC(=O)C3=CC=CS3 1 1.797 4 1 0 -4.81123368763263 1477559 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC=C2)C3=CN=CC=C3 1 2.033 4 2 -3.28566103572418 1477556 CC1=CC=CC(=C1)C(=O)NC2=NC(=NC=C2)C3=CN=CC=C3 1 2.33 4 1 -4.00543318902956 1477555 C1=CC=C(C(=C1)C(=O)NC2=NC(=NC=C2)C3=CN=CC=C3)Cl 1 2.508 4 1 -4.42835815295838 1477551 C1=CC=C2C(=C1)C=C(C=N2)/C=C/C(=O)NNC3=CC=C(C=C3)F 1 3.496 3 1 0.719605456060693 1477535 CCC1=CC=C(C=C1)CSC2=NC=CN2C3=CC=CC=C3 1 5.109 2 0 -2.53794872532005 1477534 C1=CC=C(C=C1)CCSC2=NC=CN2C3=CC=CC=C3 1 4.487 2 0 1.39970790774916 1477533 C1=CC=C(C=C1)N2C=CN=C2SCC3=CC=C(C=C3)Br 1 4.915 2 0 -1.51647166594876 1477531 CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C4=NC(=O)CN42 1 4.036 3 1 -12.270212316813 1477519 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NN3C=NN=C3 1 0.844 4 2 0 -4.07953787919663 1477503 C1=CC=C(C=C1)N2C=CN=C2SCC3=CC(=CC=C3)Cl 1 4.831 2 0 -0.219983220085345 1477498 CC1=CC=C(C=C1)C(=O)OC2=CC(=NN3C2=NN=C3)C 1 2.359 4 2 -9.34663934141975 1477495 CC1=NN2C=NN=C2C(=C1)OC(=O)C3=CC=C(C=C3)F 1 2.078 4 2 -8.44646572162069 1477494 CC1=CC=CC=C1CSC2=NC=CN2C3=CC=CC=C3 1 4.652 2 0 -4.72312896738018 1477483 C1=CC(=C(C=C1Cl)Cl)CC2=C(N(C=CC2=O)CC(F)(F)F)O 1 4.595 1 2 -0.84898578141341 1477481 C1=CC(=CC=C1CN2C=CC(=O)C(=C2O)CC3=C(C=C(C=C3)Cl)Cl)Cl 1 5.836 1 2 1.38859698764831 1477480 C1=CC(=C(C=C1Cl)Cl)CC2=C(N(C=CC2=O)CC3=CC=NC=C3)O 1 4.021 2 2 1.03190810942916 1477477 CCOC(=O)CN1C=CC(=O)C(=C1O)CC2=C(C=C(C=C2)Cl)Cl 1 3.644 1 4 -4.58816907594831 1477464 CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NN=CC4=CC=C(C=C4)OC)C 1 4.571 4 3 0 -8.22587257118443 1477463 CN1C(=C(C(=N1)C2=CC=CC=C2)C3=NC(=NO3)C4=CC=C(C=C4)Cl)Cl 1 4.865 4 1 9.62539816674685 1477462 CN1C(=C(C(=N1)C2=CC=CC=C2)C3=NC(=NO3)C4=CC(=CC=C4)Cl)Cl 1 4.865 4 1 10.2922569043219 1477461 CN1C(=C(C(=N1)C2=CC=CC=C2)C3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F)Cl 1 5.143 4 1 12.263556197494 1477460 CN1C(=C(C(=N1)C2=CC=CC=C2)C3=NC(=NO3)C4=CC=CC=C4Cl)Cl 1 4.865 4 1 5.85381415043104 1477455 CC1=CC(=CC=C1)NC(=O)NC2=C(C(=C(N2CC3=CC=C(C=C3)OC)C)C)C#N 1 4.51 4 2 -6.98567688860487 1477454 CC1=C(N(C(=C1C#N)NC(=O)NC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)OC)C 1 4.689 4 2 -6.86302715701338 1477453 CC1=C(N(C(=C1C#N)NC(=O)NC2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)OC)C 1 4.689 4 2 -5.93615659089475 1477449 CC1=CC=C(C=C1)C(=O)NC2=C(C=C(O2)C3=CC=CC=C3)C#N 1 4.017 2 2 -1.75012381742358 1477439 C1CNCCC1C2=NC3=CC=CC=C3S2 1 2.265 2 0 -3.28886851360926 1477404 C1CN(CCN1CC(=O)NC2=NN=C(S2)C(F)(F)F)C3=CC=CC=C3F 1 2.614 5 1 -3.73123373259517 1477403 CC1=CC(=C(C=C1)SC2=NC=NC3=C2C(=NO3)C)C 1 3.816 3 1 -0.97106702476086 1477401 CC1=NOC2=C1C(=NC=N2)SC3=CC=C(C=C3)OC 1 2.828 3 2 -0.38911762528536 1477400 CC1=NOC2=C1C(=NC=N2)SC3=CC=C(C=C3)Cl 1 3.508 3 1 1.8458472744456 1477399 CN1C2=CC=CC=C2C(=C1N3CCOCC3)C=NOC(=O)C4=C(N=CC=C4)Cl 1 3.341 4 3 0 -0.585057332936964 1477398 CC1=CC=C(C=C1)SC2=NC=NC3=C2C(=NO3)C 1 3.33 3 1 -0.164448010475023 1477397 CN1C2=CC=CC=C2C(=C1N3CCOCC3)C=NOC(=O)C4=CC=C(C=C4)F 1 3.823 3 3 -1.07090585793563 1477396 CC1=CC=C(C=C1)C(=O)ON=CC2=C(N(C3=CC=CC=C32)C)N4CCOCC4 1 4.104 3 3 -1.78278288340088 1477395 CC1=CC=CC(=C1)C(=O)ON=CC2=C(N(C3=CC=CC=C32)C)N4CCOCC4 1 4.104 3 3 -2.49095110601643 1477394 CC1=CC=CC=C1C(=O)ON=CC2=C(N(C3=CC=CC=C32)C)N4CCOCC4 1 4.104 3 3 -3.20059574688502 1477393 C1=CC=C(C=C1)N2C(=C3C=CC=CC3=NC2=O)NS(=O)(=O)C4=CC=C(C=C4)Cl 1 4.117 3 3 -3.29465722631065 1477392 C1=CC=C(C=C1)N2C(=C3C=CC=CC3=NC2=O)NS(=O)(=O)C4=CC=CC=C4 1 3.452 3 3 -6.30569701818187 1477391 CC1=C(N(C(=C1C#N)NC(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)OC)C 1 4.024 4 2 -8.84167998597355 1477390 CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C=CC=CC3=NC(=O)N2C4=CC=CC=C4 1 3.939 3 3 -5.11665591689747 1477389 COC1=CC=C(C=C1)S(=O)(=O)NC2=C3C=CC=CC3=NC(=O)N2C4=CC=CC=C4 1 3.436 3 4 0 -5.52962212604161 1477386 CC1=NOC(=C1C#N)NC(=O)C2=C(C(=CC=C2)Cl)Cl 1 2.683 3 2 -7.88547341063683 1477385 CC1=CC=C(C=C1)C(=O)NC2=C(C(=NO2)C)C#N 1 1.84 3 2 0 -9.72485671813299 1477383 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=NN3 1 3.41 4 1 -12.2462465736945 1477378 COC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)Br 1 3.098 3 1 2.21698384736515 1477356 C1CN(CCN1CC(=O)C2=CC=CS2)C3=CC=C(C=C3)F 1 3.364 2 1 -1.04831517573133 1477347 C1=CC2=C(C(=C1)NC(=S)N)NN=C2 1 1.724 4 0 0 -1.63350454480909 1477338 COC1=CC=C(C=C1)N2C=NC3=C(C2=O)C=CS3 1 2.303 2 2 -6.35990016062047 1477337 COC(=O)C1=C(SC=C1)NS(=O)(=O)C2=CC=CC=C2 1 1.959 1 4 0 -9.30154227353477 1477325 C1=CC(=CC=C1N2C(=CC=N2)C3=C(SC(=C3)Cl)Cl)Cl 1 5.11 2 0 2.73741007358056 1477324 C1=CN=C(NC1=O)SCCC(=C(F)F)F 1 1.21 2 1 0 -10.0957513504446 1477322 COC1=CC=C(C=C1)N2C(=CC=N2)C3=C(SC(=C3)Cl)Cl 1 4.429 2 1 1.31857417536808 1477321 C1=CC(=CC=C1N2C(=CC=N2)C3=C(SC(=C3)Cl)Cl)F 1 4.651 2 0 2.44341740997747 1477309 C(CSC1=NNC(=N1)N)C(=C(F)F)F 1 1.204 4 0 0 -2.96446752661295 1477305 COC1=CC=C(C=C1)/C=C/2\C(=O)N(CC(=O)N2CC3=CC=CC=C3)CC4=CC=C(C=C4)F 1 3.784 2 3 -5.56336196450838 1477277 CNC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.167 3 1 7.45653447733501e-002 1477271 C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)F)C(=O)O 1 4.13 2 2 1.78641869825395 1477270 C1=CC=C(C=C1)C2=CC(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)O 1 5.253 2 2 1.38957200136676 1477266 C1=CC(=CC=C1N2C(=CC(=N2)C(=O)O)C3=CC(=C(C=C3)Cl)Cl)F 1 5.458 2 2 2.96468881868535 1477263 C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC(=C(C=C3)Cl)Cl 1 5.253 2 2 1.58631928263247 1477260 CC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)N3CCOCC3)C4=CC=C(C=C4)Cl 1 4.547 3 2 -0.559769984867707 1477259 C1COCCN1C(=O)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=C(C=CC(=C4)Cl)Cl 1 5.389 3 2 -3.21761605258493 1477254 C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=CC=C3Cl 1 4.589 2 2 0.756854573945394 1477252 C1=CC=C(C(=C1)C2=CC(=NN2C3=CC=C(C=C3)F)C(=O)O)Cl 1 4.794 2 2 2.30363710701068 1477251 CCN(CC)CC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)Cl 1 3.262 3 1 0.463408229227245 1477249 C1=CC=C(C(=C1)C2=CC(=NN2C3=CC(=CC=C3)Cl)C(=O)O)Cl 1 5.253 2 2 4.42608357253202 1477247 C1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C(=O)C3=CC(=CC=C3)Cl)C(F)(F)F 1 4.673 2 2 1.47829553993143 1477245 C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O)Cl 1 3.294 3 4 0 -2.29933925414919 1477243 C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)F)C(=O)O)Cl 1 4.794 2 2 4.08293380515597 1477242 CC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)Cl 1 5.075 2 2 3.37105677969072 1477238 C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)Cl)C(=O)O)Cl 1 5.253 2 2 2.54473783747317 1477231 CN(C)CC(=O)NC1=NC(=CS1)C2=CC=CC=C2 1 1.9 3 1 0 -3.2463385451692 1477230 C1=CC(=CC(=C1)Cl)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)Cl 1 5.253 2 2 5.71483017477899 1477229 C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)Cl 1 4.589 2 2 2.70456426910309 1477225 CC1=CC(=NC2=CC=CC=C12)OC3=CC=C(C=C3)OC 1 4.585 1 2 6.64154759300623 1477219 C1COCCN1CC(=O)NC2=NC(=CS2)C3=CC=CC=C3Cl 1 2.252 3 2 -2.53376114221368 1477209 CC1=CC=CC2=C1N=C(C=C2C)N3CCCCC3 1 3.987 2 0 2.73922346820281 1477208 CC1=CC(=NC2=C1C=C(C=C2)Cl)N3CCOCC3 1 2.935 2 1 4.17629089256705 1477203 CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=C32)C)Cl 1 4.059 2 1 -3.2897001913854 1477202 CN1C2=CC=CC=C2C(=C1Cl)C(=O)NC3=CC=CC=C3 1 3.573 2 1 -3.61476732677115 1477199 COC1=CC=C(C=C1)C2=NOC(=C2)CNC(=O)CCl 1 1.952 2 3 0 -6.08559647973941 1477196 CN1C2=CC=CC=C2C(=C1Cl)C(=O)NC3=CC=C(C=C3)OC 1 3.556 2 2 -3.70266640052954 1477188 C1=CC(=CC=C1C2=NOC(=C2)CNC(=O)CCl)Cl 1 2.633 2 2 -4.24756879030539 1477187 C1CS(=O)(=O)C2=C(C1=NC3=CC=C(C=C3)Cl)C=CS2 1 3.318 1 2 1.8438469327609 1477185 C1=CC(=CC=C1C2=CC(=C(C(=O)N2)C#N)C(F)(F)F)Cl 1 2.83 2 1 -0.507269372468687 1477184 C1=CC(=CC(=C1)Cl)C2=CC(=C(C(=O)N2)C#N)C(F)(F)F 1 2.83 2 1 0.848738001674069 1477183 C1=CC=C(C(=C1)C2=CC(=C(C(=O)N2)C#N)C(F)(F)F)Cl 1 2.83 2 1 -1.28230035146362 1477181 CC1=C(C=C(C(=N1)NCC2=CC(=NO2)C3=CC=CC=C3)C#N)C(=O)C 1 2.518 4 2 -4.87460186012871 1477174 COC1=CC=C(C=C1)N=C2CCS(=O)(=O)C3=C2C=CS3 1 2.637 1 3 -0.391117966970062 1477171 CCN(CC)C1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N 1 4.846 3 0 -1.42983612798808 1477169 CN(C)C1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N 1 4.148 3 0 -1.34981136860173 1477168 CNC1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N 1 3.795 3 0 -1.14903306265142 1477161 CN(C)N=C1CCS(=O)(=O)C2=C1C=CS2 1 0.791 2 2 0 -3.47274885485278 1477091 CC1=NC(=CN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=NO)C 1 2.991 4 1 4.49722251396852 1477083 CON=C1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.858 3 1 5.02575631854587 1477081 C1CN(CCC1=CC(=O)O)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.506 2 2 2.1772033836801 1477078 C1CN(CCN1CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 3.869 2 1 1.89418239726492 1477077 CCOC(=O)C=C1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.08 2 2 1.31798797567734 1477068 CN(C)C1=NC2=C(C(=NN2C3=CC=C(C=C3)Cl)N)C(=O)O1 1 2.486 5 2 0 -7.76260649209382e-002 1477066 CC1=CC=C(C=C1)N2C3=C(C(=N2)N)C(=O)OC(=N3)N(C)C 1 2.308 5 2 0 -1.89962475550776 1477065 CCOC(=O)C1=CC=CC=C1C2=CSC(=N2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 4.13 2 4 -1.60151782296806 1477060 C1=CC=C2C(=C1)C(=O)N(C2=O)OCC3=CC(=CC=C3)Cl 1 2.956 1 3 0.491757707524884 1477048 CN(C)/C=C/C(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.511 4 1 5.82131167288253 1477039 C1=CC=C(C=C1)C2=NC3=C(N2OCC4=CC=C(C=C4)Cl)C=C(C=C3)[N+](=O)[O-] 1 3.326 3 3 5.52002745559949 1477032 CC1=CC=C(C=C1)C2=NC3=C(N2OC(=O)N(C)C)C=C(C=C3)Cl 1 2.32 3 2 4.05903075645036 1477031 CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=C(C=C(C=C2)F)F)OC3=CC(=CC=C3)Cl 1 5.395 3 2 0.432408905946851 1477005 CC1=C(SN=N1)S(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.117 2 1 -0.448010854969993 1477003 CC1=CC=C(C=C1)CON2C3=C(C=CC(=C3)[N+](=O)[O-])N=C2C4=CC=C(C=C4)Cl 1 3.812 3 3 5.99454387191469 1477000 CC1=CC=C(C=C1)S(=O)C2=C(N=NS2)C 1 2.274 2 1 -1.94167192287172 1476996 CC1=C(SN=N1)S(=O)C2=CC=C(C=C2)F 1 1.994 2 1 0 -1.04149830307266 1476995 CC1=C(SN=N1)S(=O)C2=CC=C(C=C2)Cl 1 2.453 2 1 6.86233620489047e-002 1476993 CC1=C(SN=N1)S(=O)C2=CC=C(C=C2)Br 1 2.536 2 1 -1.38803638305253 1476992 CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)F)Cl 1 3.299 3 1 -1.83016541094872 1476989 CCN1C(=NNC1=S)C2=CC=CN(C2=O)CC3=CC=CC=C3 1 2.046 4 1 -7.35100851766793 1476988 CCSC1=NC(C=C(N1)C)(C)C 1 2.034 2 0 -5.95803439721607 1476981 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2OCC(=O)O 1 0.648 2 4 0 -0.455914775675852 1476974 C1=CC=C(C=C1)CON2C3=C(C=CC(=C3)[N+](=O)[O-])N=C2C4=CC=C(C=C4)Cl 1 3.326 3 3 5.1797289671351 1476972 CC1=C(SN=N1)S(=O)C2=CC=CC=C2C(=O)OC 1 1.644 2 3 0 -5.27508425810282 1476969 C1=C(C=NC(=C1Cl)NCC(=O)N)C(F)(F)F 1 1.487 3 1 0 2.2028050921654 1476968 C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC=NC4=NC=NN34 1 3.747 4 1 -2.13313345289125 1476967 C1=CC(=CC=C1C2=CC=NC3=NC=NN23)N4C=CN=C4 1 1.857 6 0 0 -4.00774252822515 1476963 C1CC2=C(C=NC3=NC=NN23)C(=O)C1 1 0.769 4 1 0 -9.37510053431672 1476959 C1=CSC=C1C2=C(N3C(=NC=N3)N=C2)N 1 1.213 5 0 0 -6.65027977186987 1476958 C1=CC(=CC=C1C2=C(N3C(=NC=N3)N=C2)N)Cl 1 2.216 5 0 -3.03083160087028 1476957 C1=CC=NC(=C1)C2=CC=NC3=NC=NN23 1 1.465 5 0 0 -5.01447054616462 1476956 C1=COC(=C1)C2=CC=NC3=NC=NN23 1 1.582 4 1 0 -3.9676162092556 1476947 C1=C(C=NC(=C1Cl)NNC(=O)N)C(F)(F)F 1 1.757 4 1 0 2.9636612482693 1476944 CC(=O)COC1=NN(C=N1)C2=CC=CC=C2 1 1.459 3 2 0 -1.22881689799842 1476942 C1COCCN1C2=NN3C(=CC=NC3=N2)C4=CC=C(C=C4)F 1 2.144 5 1 0.182532476988472 1476936 C1COCCN1C2=NN3C(=CC=NC3=N2)C4=CC=C(C=C4)OC5=CC=CC=C5 1 3.498 5 2 0 1.20891874410387 1476926 C1COCCN1C2=NN3C(=CC=NC3=N2)C4=C(C=C(C=C4)Cl)Cl 1 3.267 5 1 1.54930324526777 1476925 C1COCCN1C2=NN3C(=C(C=NC3=N2)C4=CC=CC=C4)N 1 1.302 6 1 0 -2.60492620000451 1476924 COC1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)N4CCOCC4 1 1.922 5 2 0 -0.94231075762092 1476923 C1COCCN1C2=NN3C(=CC=NC3=N2)C4=CC=C(C=C4)C5=CC=CC=C5 1 3.456 5 1 0.992329477383641 1476922 C1COCCN1C2=NN3C(=CC=NC3=N2)C4=CC=C(C=C4)Br 1 2.686 5 1 -0.164005602991399 1476919 CN(C)/C=C/C1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C#N 1 3.738 3 1 -4.17592318026048 1476895 CN(C)/C=C/C1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC 1 3.051 2 3 -3.27349998219094 1476881 CN(C)/C=C/C1=C(C(=NO1)C2=CC=CC=C2Cl)C#N 1 3.074 3 1 0.491415834544927 1476869 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N(CC#C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 5.847 3 2 -4.01608217263282 1476867 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)NS(=O)(=O)C2=CC=CS2 1 3.327 3 2 -1.43391994221561 1476864 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)NS(=O)(=O)C2=CC=C(C=C2)F 1 3.746 3 2 1.01592632106076 1476857 C1CCN(C1)C2=NN3C(=NN=C3C(F)(F)F)C=C2 1 1.744 5 0 0 -1.65469656892396 1476844 CN(C)C1=NN(C(=N1)N(C)C)CC2=C(C=CC=C2Cl)Cl 1 2.855 5 0 -2.48067114050462 1476826 CN1C(=CC(=N1)OC(=O)NC2=CC=CC=C2)C(F)(F)F 1 3.592 3 2 -2.37137042197874 1476825 COC(=O)C1=NC=CC(=C1)SC2=C(C=CC=C2Cl)Cl 1 4.41 1 2 -3.29825143743904 1476824 COC(=O)C1=NC=CC(=C1)SC2=C(C(=CC=C2)Cl)Cl 1 4.41 1 2 -4.31347739903398 1476820 CN1C(=C(C(=N1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)Cl)Cl 1 4.334 3 1 0.458088517499623 1476806 CC1=NC(=CC(=N1)S(=O)C2=CC=C(C=C2)Cl)COC 1 2.236 2 2 8.51001179670186e-002 1476800 CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3NC2=O)C(=O)O 1 2.807 1 3 -6.01938334942659 1476799 CC1=NC(=CC(=N1)SC2CCCCC2)COC 1 2.965 2 1 -1.80956024053551 1476798 CC1=NC(=CC(=N1)SC2=CC=C(C=C2)Cl)COC 1 3.348 2 1 0.908360930916318 1476795 CC1=NC(=CC(=N1)NCC2=CC=C(C=C2)Cl)COC 1 2.149 3 1 -1.86153841956655 1476779 CC(C)C1=NN=C(O1)C2=CC3=C(S2)N(N=C3C(F)(F)F)C 1 3.571 4 1 -3.82284759449838 1476778 CN1C2=C(C=C(S2)C3=NN=C(O3)C4=CC(=CC=C4)OC)C(=N1)C(F)(F)F 1 4.089 4 2 3.95720310484927 1476777 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC4=C(S3)N(N=C4C(F)(F)F)C 1 4.592 4 1 2.76845877789002 1476774 CC1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=C(C=C3)F)C(=O)NN 1 2.312 3 2 1.25365714847889 1476773 CN1C2=C(C=C(S2)C3=NN=C(O3)C4=CC=CC=C4)C(=N1)C(F)(F)F 1 4.106 4 1 2.29394236157482 1476760 CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)F)CC3=CC=C(C=C3)C 1 4.006 1 3 -0.741865401500968 1476757 CC(C)(C)C(=NO)COC1=CC=CC=C1[N+](=O)[O-] 1 2.903 2 4 -4.83016326204734 1476756 COC1=CC=C(C=C1)CN2C=C(C(=O)C3=CC=CC=C32)C(=O)O 1 2.723 1 4 -2.22915497448496 1476755 C1=CC(=CC=C1S(=O)C2=C(C=CN=C2)C#N)Cl 1 2.229 2 1 2.05075619195707 1476754 C1=CC(=CC=C1SC2=C(C=CN=C2)C#N)Cl 1 3.341 2 0 2.66529973863036 1476752 CC1=CC=C(C=C1)SC2=C(C=CN=C2)C#N 1 3.162 2 0 0.843301048043544 1476751 CC(C)(C)C(=O)COC1=CC=CC=C1[N+](=O)[O-] 1 2.836 1 4 -8.05260261335283 1476750 C1=CC=C(C=C1)C(=NO)COC2=CC=CC=C2[N+](=O)[O-] 1 3.031 2 4 -3.02311600986679 1476749 C1=CC=C(C=C1)C2=NC=C(S2)C3=NN(C=C3)C(=O)C4=CC=CC=C4 1 4.547 3 1 4.15532049998992 1476747 C1=CC=C(C=C1)CN2C=CC(=N2)C3=CN=C(S3)C4=CC=CC=C4 1 4.682 3 0 1.00301102719784 1476746 C1=CC=C(C=C1)C2=NC=C(S2)C3=NN(C=C3)CC4=CC=C(C=C4)F 1 4.887 3 0 2.82273441949093 1476742 C1=CC=C(C=C1)C2=NC=C(S2)C3=NN(C=C3)S(=O)(=O)C4=CC=C(C=C4)F 1 4.455 3 2 3.03124364357919 1476741 CC1=CC=C(C=C1)CN2C=CC(=N2)C3=CN=C(S3)C4=CC=CC=C4 1 5.168 3 0 2.11085739402568 1476736 C1=CC=C(C=C1)C2=NC=C(S2)C3=NN(C=C3)S(=O)(=O)C4=CC=CC=C4 1 4.25 3 2 1.13032551682954 1476733 COC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=N2)C3=CN=C(S3)C4=CC=CC=C4 1 4.233 3 3 1.9064004089698 1476731 C1=CC=C(C=C1)C2=NC=C(S2)C3=NN(C=C3)C(=O)C4=CC=C(C=C4)F 1 4.752 3 1 5.95587655501277 1476725 C1=CC=C(C=C1)C(=O)C(=NNC2=CC=CC=C2Cl)C=O 1 3.767 2 2 -3.41182485998587 1476723 C1=CC=C(C=C1)C(=O)C(=NNC2=CC=CC(=C2)C(F)(F)F)C=O 1 4.045 2 2 2.05883068963493 1476718 CC1=CC=C(C=C1)N2C(=O)NC3(N2)CCN(CC3)C(=O)N 1 0.661 5 2 0 -2.8620648165052 1476717 C1COCCN1C2=C(C(=O)N(N=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl)Cl 1 2.3 4 2 -2.91898375954289 1476709 COCC1=CC(=NC(=N1)C2=CC=CC=C2)SC3=CC=C(C=C3)OC 1 4.331 2 2 5.11923422866799 1476707 CS(=O)(=O)CC1=CC(=NC(=N1)C2=CC=CC=C2)N3CCCC3 1 1.961 3 2 0 2.01121367609334e-002 1476702 CSC1=C(C(=O)N(C(=C1)C2=CC=CC=C2)CC3=CC=CC=C3Cl)C#N 1 3.963 2 1 -1.79909491752355e-002 1476696 CSC1=C(C(=O)N(C(=C1)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3)C#N 1 3.963 2 1 2.26233980987424 1476691 COCC1=CC(=NC(=N1)C2=CC=CC=C2)SC3=CC=C(C=C3)Br 1 5.096 2 1 5.72876653438807 1476690 COCC1=CC(=NC(=N1)C2=CC=CC=C2)SC3=C(C=C(C=C3)Cl)Cl 1 5.676 2 1 5.28609991889665 1476689 COCC1=CC(=NC(=N1)C2=CC=CC=C2)SC3=C(C=CC=C3Cl)Cl 1 5.676 2 1 4.63206127273266 1476688 COCC1=CC(=NC(=N1)C2=CC=CC=C2)SC3=C(C(=CC=C3)Cl)Cl 1 5.676 2 1 2.88360399892748 1476686 CC(C)NC1=NC(=NC(=C1)COC)C2=CC=CC=C2 1 2.292 3 1 -0.203482950619761 1476685 COCC1=CC(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4F 1 3.606 4 1 6.24584198754656 1476677 CCCN1C(=CC(=C(C1=O)C#N)SC)C2=CC=CC=C2 1 2.588 2 1 -1.66649257127287 1476676 CSC1=C(C(=O)N(C(=C1)C2=CC=CC=C2)CC=C)C#N 1 2.332 2 1 -5.50558168805498 1476675 CCOC(=O)CN1C(=CC(=C(C1=O)C#N)SC)C2=CC=CC=C2 1 1.771 2 3 0 -5.69585071545046 1476674 CN1C(=CC(=C(C1=O)C#N)SC)C2=CC=CC=C2 1 1.715 2 1 0 0.310911317061242 1476671 CSC1=C(C(=O)N(C(=C1)C2=CC=CC=C2)CC3=CC=C(C=C3)Cl)C#N 1 3.963 2 1 2.60263829833864 1476667 COCC1=CC(=NC(=N1)C2=CC=CC=C2)N3CCCCC3 1 2.688 3 1 2.43010256102754 1476666 COCC1=CC(=NC(=N1)C2=CC=CC=C2)N3CCCC3 1 2.232 3 1 2.78457107519562 1476663 COCC1=CC(=NC(=N1)C2=CC=CC=C2)N3CCOCC3 1 1.459 3 2 0 0.841016438314768 1476661 CC1=NC(=CC(=N1)N2CCOCC2)CS(=O)C3=CC=C(C=C3)Cl 1 1.669 3 2 0 0.583022006507108 1476660 CC1=NC(=CC(=N1)NCC2=CC(=CC=C2)OC)CSC3=CC=C(C=C3)Cl 1 4.454 3 1 1.37758157566755 1476657 CC1=NC(=CC(=N1)Cl)CS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.869 2 2 -8.0393545890252 1476655 CC1=NC(=CC(=N1)N2CCOCC2)CS(=O)(=O)C3=CC=CC=C3 1 1.1 3 3 0 -10.748913842726 1476651 CC1=NC(=CC(=N1)N2CCOCC2)CS(=O)C3=CC=CC=C3 1 1.004 3 2 0 -1.60671663048541 1476645 CC1=NC(=CC(=N1)NCC2=CC=CC=C2OC)CSC3=CC=C(C=C3)Cl 1 4.454 3 1 2.3025039325573e-002 1476642 CC1=NC(=CC(=N1)NC)CSC2=CC=C(C=C2)Cl 1 2.887 3 0 -0.212815022798702 1476639 CC1=NC(=O)C=C(N1)CSC2=CC=CC=C2 1 1.608 2 1 0 -5.52211341977438 1476636 COC1=C(C=C(C(=C1)N)Cl)Cl 1 2.395 1 1 0.645428262354072 1476615 CC1=CSC2=NC=NC(=C12)NCCC3=CC=CC=N3 1 2.842 4 0 -2.97281962769903 1476613 CC(C)NC(=O)C1=CN=C(N1C)SC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.804 4 1 -6.45691567776428 1476607 CC(=O)C1=NN(C(=O)NC1=O)C2=CC=C(C=C2)C(F)(F)F 1 1.686 3 3 0 -2.20583047099135 1476597 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C(=O)C3=C(C2=O)C(=CC=C3)N 1 2.915 4 2 0.39746945071871 1476596 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 3.556 4 4 0 -2.7982307087484 1476586 COC1=CC=C(C=C1)CS(=O)(=O)C2=NC(=C(N2CC#C)C3=CC=CC=C3)C4=CC=CC=C4 1 6.506 2 3 -8.14932284406925 1476582 C#CCN1C(=C(N=C1S(=O)(=O)CC2=CC=C(C=C2)F)C3=CC=CC=C3)C4=CC=CC=C4 1 6.728 2 2 -7.02447960945986 1476579 CCOC(=O)CN1C(=C(N=C1S(=O)(=O)CC2=CC=CC=C2Cl)C3=CC=CC=C3)C4=CC=CC=C4 1 6.051 2 4 -9.05470542485213 1476577 C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)CC(=O)NC4=CC=CC=C4 1 5.268 2 1 0.655716538932567 1476564 CN1C(=C(C(=N1)C2=CC=CC=C2)CO)OC3=CC=CC(=C3)C(F)(F)F 1 4.449 2 2 8.98293940448063 1476563 CC1=CC(=NC(=C1S(=O)(=O)C2=C(C=C(C=C2)F)C)Cl)C 1 4.116 1 2 -1.02946658516846 1476562 CC1=CC(=C(C(=O)N1)S(=O)(=O)C2=C(C=C(C=C2)F)C)C 1 2.134 1 3 -10.4528224252291 1476560 CN1C(=C(C(=N1)C2=CC=CC=C2)CO)OC3=CC=C(C=C3)F 1 3.712 2 2 6.51919653704848 1476556 CC1=C(C=C(C=C1)F)S(=O)(=O)C2=C(N=C(C=C2C)C)Cl 1 4.116 1 2 -3.31807840756633 1476554 CC1=C(C=C(C=C1)F)S(=O)(=O)C2=C(C=C(NC2=O)C)C 1 2.134 1 3 -12.741434247627 1476541 CC1=CC=CC=C1S(=O)(=O)C2=C(N=C(C=C2C)C)OCCN(C)C 1 3.698 2 3 -6.854085718906 1476513 C1=CC(=CC=C1C(=O)CSC2=NC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl)Cl 1 5.498 3 1 0.598413630351136 1476512 C1=CN(C(=S)N1)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.082 3 0 0.192135744598738 1476508 C1=CC(=CC=C1S(=O)(=O)CC2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-])Cl 1 3.128 1 6 0 -8.25179904282046 1476505 CN(C)/C=C/C(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=CC=C2 1 2.728 2 5 0 -9.59143591588358 1476503 CC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=CC=C2 1 2.573 1 5 -11.6350488743631 1476501 CC1(OCCO1)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3 1 2.464 1 6 0 -10.7561672918116 1476497 C1COC(O1)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3 1 2.525 1 6 0 -10.6666634388628 1476494 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N(CC=C)S(=O)(=O)C2=CC=C(C=C2)OC 1 4.347 3 3 -4.06991877882204 1476492 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)NS(=O)(=O)C2=CC=C(C=C2)OC 1 3.524 3 3 0.1698567525142 1476490 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)NS(=O)(=O)C 1 1.964 3 2 0 -0.381337022894155 1476475 COC1=CN=C(N=C1Cl)SCC2=CC(=C(C=C2)Cl)Cl 1 4.883 2 1 -2.86299965083722 1476464 COC1=CN=C(N=C1Cl)SCC2=C(C=C(C=C2)Cl)Cl 1 4.883 2 1 -3.28477780902982 1476386 C1=CC(=CC=C1C(=O)NCCS(=O)(=O)C2=CC=C(C=C2)Cl)F 1 3.082 1 3 -10.0409449474267 1476375 C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)Cl)CS(=O)C4=CC=C(C=C4)Cl 1 6.171 0 3 7.00938877559143 1476374 C1=CC=C(C=C1)S(=O)CC2=C(OC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl 1 5.507 0 3 7.29955477439088 1476369 CC1=C(C=C(C(=N1)SC2=CC=CC=C2)C#N)C3=CC=CC=C3 1 5.016 2 0 0.881009701742138 1476365 CC1=C(C=C(C(=N1)Cl)C#N)C2=CC=CC=C2 1 3.232 2 0 1.86623224938576 1476363 CC1=CC=CC=C1CN2C=NC3=C2C=C(C(=C3[N+](=O)[O-])C)C 1 4.487 3 2 -0.653033909882749 1476361 CC1=CC(=CC=C1)CN2C=NC3=C2C=C(C(=C3NS(=O)(=O)C)C)C 1 3.504 3 2 -4.91908653267257 1476360 CC1=CC2=C(C(=C1C)N)N=CN2CC3=CC=C(C=C3)OC 1 3.344 3 1 -1.48396072592379 1476359 CC1=CC2=C(C(=C1C)[N+](=O)[O-])N=CN2CC3=CC=C(C=C3)OC 1 3.985 3 3 -0.595678956100382 1476350 CC(C)N1C=C(C=C(C1=O)C#N)C2=CC=C(C=C2)Cl 1 2.59 2 1 -2.30857811347395 1476348 CN1C=C(C=C(C1=O)C#N)C2=CC=C(C=C2)Cl 1 1.864 2 1 0 -2.77760344363785 1476344 C=CCN1C=C(C=C(C1=O)C#N)C2=CC=C(C=C2)Cl 1 2.481 2 1 -6.01422001813679 1476335 COC1=CN=C(N=C1OC)SCC(=O)OC 1 1.327 2 4 0 -10.6555199160534 1476333 CN(C)/C=C(\C=O)/C1=C(C=C(C=C1)Cl)Cl 1 2.779 1 1 3.62341382511911 1476332 CCCN1C=NC2=C1C=C(C(=C2N)C)C 1 2.649 3 0 -1.97174734253058 1476319 CC1=CC2=C(C(=C1C)NS(=O)(=O)C3=CC=C(C=C3)F)N=CN2C(C)C 1 3.943 3 2 -2.19621511057849 1476315 CCOC(=O)CSC1=NC=C(C(=N1)SC2=CC=C(C=C2)OC)OC 1 3.794 2 4 -8.99712643771626 1476314 CCOC(=O)CSC1=NC=C(C(=N1)SC2=CC=C(C=C2)Cl)OC 1 4.475 2 3 -6.93093438689474 1476311 CN(C)C1=NC=C(C(=N1)SC2=CC=C(C=C2)Cl)OC 1 3.42 3 1 2.35607018479454 1476295 CC1=CC(=CC=C1)CN2C=NC3=C2C=C(C(=C3N)C)C 1 3.846 3 0 -0.592484215541701 1476293 CC1=CC2=C(C(=C1C)N)N=CN2C(C)C 1 2.503 3 0 -0.445655406560228 1476284 COC1=CN=C(N=C1Cl)SCC2=CC=C(C=C2)Cl 1 4.219 2 1 -2.36232631750393 1476267 C1=C(C=NC(=C1Cl)CCC(=O)O)C(F)(F)F 1 2.413 1 2 0.19190155068427 1476242 C/[N+](=C/C1=C(C=CC2=CC=CC=C21)OCC3=CC=CC=C3)/[O-] 1 3.396 1 2 3.76557286332066 1476234 CN1C(=CN=C1SCC(=O)C2=CC=C(C=C2)Br)CO 1 2.484 2 2 -6.3466602390745 1476193 C1CN(CCN1C2=CC=C(C=C2)F)C(=N)CC#N 1 1.528 4 0 0 -2.3624983808926 1476140 CC1=CC=C(C=C1)S(=O)(=O)NCC2=NNC(=S)N2C 1 1.351 4 2 0 -8.0363157021791 1476119 C=CCN1C(=NNC1=S)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.145 4 2 -10.9117400757141 1476118 CCN1C(=NNC1=S)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.877 4 2 0 -6.3370227002301 1476114 CN1C(=NN=C1SCC(=O)OC)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 1.626 4 4 0 -17.5005966647622 1476085 CN1C(=NN=C1SC)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 1.919 4 2 0 -7.44110513455876 1476083 CN1C(=NNC1=S)CNS(=O)(=O)C2=CC=C(C=C2)F 1 1.07 4 2 0 -7.32443867671385 1476082 CN1C(=NNC1=S)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 1.613 4 2 0 -7.67097675669372 1476080 CN1C(=NN=C1SCC(=O)OC)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.542 4 4 0 -16.0439369196608 1476077 CN1C(=NN=C1SC)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.835 4 2 0 -5.98444538945732 1476075 CC1=CC(=NC(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=CC=C3F)F)C 1 4.932 1 4 -9.52478960132934 1476073 CC1=CC(=NC(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=CC=C3Cl)Cl)C 1 5.85 1 4 -8.68992906644522 1476072 CC1=CC(=NC(=N1)C)OC(=O)C2=C(C=CC=C2Cl)Cl 1 3.589 2 2 -6.86373328907696 1476069 CC1=CC(=NC(=N1)OC(=O)C2=C(C=C(C=C2Cl)Cl)Cl)C 1 4.562 2 2 -2.670387560097 1476068 CC1=CC(=NC(=N1)C)OC(=O)C2=C(C=C(C=C2Cl)Cl)Cl 1 4.253 2 2 -5.4270143474958 1476065 C1=CC(=C(C=C1Cl)C(F)(F)F)NC(=O)CSCC(=O)O 1 2.519 1 3 -9.06173069033475 1476064 CC1=CC(=NC(=N1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)C 1 3.898 2 2 0.328257764591233 1476063 CC1=CC(=NC(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)C 1 5.85 1 4 -4.15717057365105 1476061 CC1=CC(=NC(=N1)C)OC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.589 2 2 -2.42836902280757 1476052 C1=CC(=C(C=C1OC2=CN=NS2)Cl)Cl 1 3.388 2 1 2.21123697914827 1476047 COC(=O)CSC1=C(N=NS1)C2=CC(=C(C=C2)Cl)Cl 1 4.023 2 2 -6.25560083698293 1476046 C1=CC(=C(C=C1Cl)Cl)OC2=CN=NS2 1 3.388 2 1 2.21678162196243 1476045 C1=CC(=C(C(=C1)Cl)Cl)OC2=CN=NS2 1 3.388 2 1 0.428614870549129 1476041 C1=CC(=CC=C1OC2=CN=NS2)F 1 2.265 2 1 1.94393346236526 1476030 COC1=CC=CC(=C1)C(=O)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.102 1 2 1.48344958103552 1476012 CCOC1=NN(C(=O)C1)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.592 3 2 -0.487140761561446 1476011 CC1=CC=C(C=C1)CSC2=NC=C(N2C)C(=O)OC 1 3.223 2 2 -6.91761606174087 1476008 C1=CC=C(C=C1)C2=C(N=C(C3=CC=CC=C32)Br)N 1 3.881 2 0 2.92472008129124 1476007 C1=CC=C2C(=C1)C(=C(N=C2Br)N)C3=CC=C(C=C3)F 1 4.086 2 0 4.27952652008409 1475987 COC1=CC=C(C=C1)SC2=NC3=CC=CC=C3N4C2=NN=C4C(F)(F)F 1 4.925 4 1 -0.969631976034199 1475986 C1=CC=C(C=C1)SC2=NC3=CC=CC=C3N4C2=NN=C4C(F)(F)F 1 4.941 4 0 -1.64824398921858 1475985 C1=CC=C2C(=C1)N=C(C3=NN=C(N23)C(F)(F)F)SC4=CC=CC=N4 1 4.33 5 0 -4.64951930880141 1475984 C1=CC(=CC(=C1)Cl)NCC2=C(SN=N2)Cl 1 3.105 3 0 2.14186241625271 1475982 CC1=CC(=NC(=N1)NC(=O)CC(=O)C)C 1 0.168 3 2 0 -7.94971767085785 1475980 C1=CC=C2C(=C1)N=C(C3=NN=C(N23)C(F)(F)F)SC4=CC=C(C=C4)Cl 1 5.606 4 0 1.26533292369676 1475958 C1=CN(C(=O)N=C1N)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.82 4 1 0 2.76117273020246 1475943 C=CCN1C(=NNC1=S)C2=CSC(=N2)C3=CC=CC=C3 1 3.527 4 0 -3.78167386423425 1475942 CC1=C(SC(=N1)C2=CC=CC=C2)C3=NNC(=S)N3CC=C 1 3.673 4 0 -3.65357369407654 1475940 C1C(=CC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)Cl 1 3.444 1 2 3.47894382744896 1475937 CC1=C(SN=N1)SC2=CC=CC=C2C(=O)O 1 2.53 2 2 -8.03119464422618 1475922 CCCS(=O)(=O)C1=C(N=NS1)C 1 1.18 2 2 0 -13.9453981624954 1475919 C1C(=CC2=CC=CC=C2O1)C(=O)OCC3=CN=CC=C3 1 2.283 1 3 1.07209454396614 1475914 COC1=CC=CC2=C1OCC(=C2)C(=O)OCC3=CN=CC=C3 1 2.267 1 4 -0.86728226877602 1475905 CC(=O)OCC1=C(N(N=C1C(F)(F)F)C)SC2=CC=CC=C2 1 3.868 2 2 0.471921358252561 1475901 C1=CC(=CC=C1C2=NC=CN2)C(=O)O 1 1.272 2 2 0 -5.40750388875415 1475898 COC(=O)C1=CC=C(C=C1)C2=NC=CN2 1 1.497 2 2 0 -6.52735293738615 1475893 CC1=NN(C=N1)C2=NC=C(C=C2)C(=O)OC3=CC=CC=C3 1 2.148 4 2 -6.19230208230747 1475890 C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.61 1 2 -1.13449980140287 1475879 CC1=CC(=NN1C2=NN=C(N=N2)NCC3=CC=C(C=C3)Cl)C 1 2.919 7 0 0 -0.475747373846907 1475876 CC1=CC(=NN1C2=NN=C(N=N2)N3CCN(CC3)C4=CC=CC=C4)C 1 2.507 8 0 0 2.65512528310492 1475855 COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3NC5=CC=CC=C54 1 3.667 5 1 6.96360914759753 1475852 C1C2CC3CC1CC(C2)C3(CC(=O)O)C4=CC=C(C=C4)F 1 3.875 0 2 -0.826522426399534 1475850 COC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 2.581 3 3 -5.92403865441634 1475848 CC1=CC=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.083 3 2 -5.33322157101421 1475840 CC(C)C(=O)OCC1=CN(N=N1)C2=CC(=C(C=C2)Cl)Cl 1 4.037 3 2 -2.70305334511546 1475833 COC(=O)C1=C(C2=C(S1)N=CC=C2)OCC3=C(C=CC=C3Cl)Cl 1 4.783 1 3 -5.59470242373937 1475832 COC(=O)C1=C(C2=C(S1)N=CC=C2)OCC3=CC=C(C=C3)Cl 1 4.118 1 3 -1.774104655304 1475831 COC(=O)C1=C(C2=C(S1)N=CC=C2)OCC3=CC(=CC=C3)Cl 1 4.118 1 3 -1.60298881817018 1475830 COC(=O)C1=C(C2=C(S1)N=CC=C2)OCC3=CC=CC=C3Cl 1 4.118 1 3 -3.68278455659155 1475828 COC(=O)C1=C(C2=C(S1)N=CC=C2)OCC3=C(C=C(C=C3)Cl)Cl 1 4.783 1 3 -1.03786345643009 1475823 C1=CC=C(C(=C1)C(=O)OCC2=CN(N=N2)C3=CC(=C(C=C3)Cl)Cl)Cl 1 5.236 3 2 -2.17846871548199 1475820 C1=CC=C(C=C1)C(=O)OCC2=CN(N=N2)C3=CC(=C(C=C3)Cl)Cl 1 4.571 3 2 -2.10381263173467 1475818 CC(C)(C)C(=O)OCC1=CN(N=N1)C2=CC=C(C=C2)Cl 1 3.789 3 2 -0.884716785520201 1475812 CC1=CC=C(C=C1)NC(=O)OCC2=CN(N=N2)C3=CC=C(C=C3)Cl 1 4.301 4 2 1.62158364212512 1475811 CC1=CC=CC=C1NC(=O)OCC2=CN(N=N2)C3=CC=C(C=C3)Cl 1 4.301 4 2 -1.95885460719799 1475810 C1=CC(=CC=C1N2C=C(N=N2)C=NO)Cl 1 2.508 4 1 6.60362016380138 1475809 C1=CC=C(C=C1)COCC2=CN(N=N2)C3=CC=C(C=C3)Cl 1 3.856 3 1 2.48551184151809 1475808 C1=CC=C(C=C1)C(=O)OCC2=CN(N=N2)C3=CC=C(C=C3)Cl 1 3.907 3 2 -0.918366987696063 1475807 CCNC(=O)OCC1=CN(N=N1)C2=CC=C(C=C2)Cl 1 2.587 4 2 -2.5369422436189 1475806 C1=CC(=CC=C1NC(=O)OCC2=CN(N=N2)C3=CC=C(C=C3)Cl)Cl 1 4.48 4 2 0.795264699907569 1475804 C1=CC(=CC(=C1)Cl)NC(=O)OCC2=CN(N=N2)C3=CC=C(C=C3)Cl 1 4.48 4 2 2.96637957488898 1475792 C1=CN2C(=NC=N2)C(=C1)NC(=O)C(F)(F)F 1 0.834 4 1 0 -7.01419095764844 1475790 C1=CN2C(=NC=N2)C(=C1)NC(=O)C(Cl)Cl 1 0.941 4 1 0 -8.50562926932489 1475789 C1=CC=C(C=C1)NC(=O)OCC2=CN(N=N2)C3=CC=C(C=C3)Cl 1 3.815 4 2 1.46492950375177 1475788 CN1C(=C(C(=N1)C(F)(F)F)C=NOC(=O)C2=CC=CC=C2)SC3=CC=CC=C3C(=O)OC 1 5.263 3 4 0 -2.4237523679692 1475781 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC=CN3C2=NC=N3 1 2.352 4 1 -5.16250416631935 1475780 C1=CN2C(=NC=N2)C(=C1)NC(=O)CCl 1 0.278 4 1 0 -8.81668295286088 1475775 C1=CC(=C(C=C1F)F)NC(=O)C2=CN=C(C=C2)N3C=NC=N3 1 1.956 5 1 0 -9.03951528033464 1475774 C1=CC(=CC(=C1)NC(=O)C2=CN=C(C=C2)N3C=NC=N3)C(F)(F)F 1 2.488 5 1 -5.07408012364513 1475767 CN1C=C(C=C1C2=NN=C(O2)COC3=CC=C(C=C3)Cl)C(=O)C4=C(C=C(C=C4)Cl)Cl 1 5.877 3 3 -2.66033051561506 1475763 C1=CC(=CC=C1N2C(=C(C(=NC2=O)CN3C=NC=N3)C#N)N)Cl 1 1.319 7 1 0 -9.44263575591273 1475762 C1=CC(=CC=C1N2C(=O)C=C3C(=N2)C(=O)NN3)Cl 1 0.533 4 2 0 -1.52450912283641 1475756 CN1C=C(C=C1C2=NN=C(O2)COC3=CC=C(C=C3)F)C(=O)C4=C(C=C(C=C4)Cl)Cl 1 5.418 3 3 -1.78113791759293 1475751 CN1C=C(C=C1C2=NN=C(O2)COC3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)Cl)Cl 1 5.213 3 3 -2.98124895502699 1475749 C1=CC=C(C=C1)N2C(=C(C(=NC2=O)CN3C=NC=N3)C#N)N 1 0.655 7 1 0 -11.5259376416418 1475747 C1=CC=C2C(=C1)NC(=N2)CN3C=NC=N3 1 1.088 5 0 0 -5.94567693011403 1475738 CC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)/C=C/N(C)C 1 1.684 2 4 0 -4.9155661385514 1475736 CCOC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=CC=C2)C(F)(F)F 1 2.149 1 5 -8.37452584803149 1475735 CC1=C(C=C(C(=O)O1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC 1 1.036 2 7 0 -12.1520718948265 1475732 CC1=C(C=C(C(=O)O1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C(=O)OC 1 2.084 1 5 -6.90584367799854 1475731 CC1=C(C=C(C(=O)O1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C 1 0.911 2 6 0 -11.3683829254481 1475729 CC1=C(C=C(C(=O)O1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C(=O)C 1 1.958 1 4 0 -6.12215470862012 1475726 CCOC(=O)CSC1=NC(=NC(=C1)C(F)(F)F)C2=CC=CC=N2 1 3.456 3 2 -6.46371162255716 1475725 C1=CC=NC(=C1)C2=NC(=CC(=N2)OC3=CC=C(C=C3)Cl)C(F)(F)F 1 5.083 3 1 7.19449703078034 1475724 C1=CC=NC(=C1)C2=NC(=CC(=N2)OC3=CC=CC(=C3)C(F)(F)F)C(F)(F)F 1 5.361 3 1 7.0611610589897 1475723 C1=CC=C(C=C1)OC2=NC(=NC(=C2)C(F)(F)F)C3=CC=CC=N3 1 4.419 3 1 4.71585133121232 1475721 C1=CC=NC(=C1)C2=NC(=CC(=N2)SCC(=O)O)C(F)(F)F 1 2.882 3 2 -4.67507710643511 1475719 CC(C)NC1=NC(=NC(=C1)C(F)(F)F)C2=CC=CC=N2 1 2.921 4 0 0.495685400209372 1475718 CCN(CC)C1=NC(=NC(=C1)C(F)(F)F)C2=CC=CC=N2 1 3.098 4 0 1.54405120013918 1475715 COC(=O)CSC1=NC(=NC(=C1)C(F)(F)F)C2=CC=CC=N2 1 3.108 3 2 -5.64077748448997 1475713 CN1CCN(CC1)C2=NC(=NC(=C2)C(F)(F)F)C3=CC=CC=N3 1 2.358 5 0 6.10867630787033 1475712 CN(C)C1=NC(=NC(=C1)C(F)(F)F)C2=CC=CC=N2 1 2.401 4 0 2.63094911773601 1475711 CNC1=NC(=NC(=C1)C(F)(F)F)C2=CC=CC=N2 1 2.195 4 0 1.62779856306623 1475708 CCCN1CC(=O)C(=C1O)C#N 1 0.887 2 2 0 -4.96191040244135 1475695 COC(=O)CSC1=NC=CC(=C1C#N)C2=CC=C(C=C2)F 1 3.07 2 2 -13.1343233270817 1475692 COC1=CC=CC(=C1)CN2CCN3C(=CC(=N3)C(=O)OC)C2=O 1 1.854 3 4 0 -6.5689778925737 1475691 CC1=CC(=NC(=C1S(=O)(=O)C)N(C)N)C2=CC=CC=C2 1 2.659 3 2 -3.08621562962348 1475690 CC1=CC(=NC(=C1S(=O)(=O)C)N(C)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C 1 3.855 3 3 -8.73978229884446 1475689 CC1=CC(=NC(=C1S(=O)(=O)C)N(C)NC(=O)C2=C(C=CC=C2F)F)C 1 2.937 3 3 -10.2728050239774 1475686 CC1=CC(=NC(=C1S(=O)(=O)C)N(C)N)C 1 0.994 3 2 0 -5.83421905985578 1475685 CC1=CC(=NC(=C1S(=O)(=O)C)NN)C 1 0.789 3 2 0 -3.36780692310081 1475684 COC(=O)C1=NN2CCN(C(=O)C2=C1)CC3=CC=CC=C3Cl 1 2.535 3 3 -6.24733527208361 1475683 COC1=CC=C(C=C1)CN2CCN3C(=CC(=N3)C(=O)OC)C2=O 1 1.854 3 4 0 -6.29525543786675 1475682 COC(=O)C1=NN2CCN(C(=O)C2=C1)CC3=CC=C(C=C3)F 1 2.076 3 3 -5.3391850521668 1475681 COC(=O)C1=NN2CCN(C(=O)C2=C1)CC3=CC=CC=C3F 1 2.076 3 3 -7.30110780705197 1475680 CC1=CC(=NC(=C1S(=O)(=O)C)OC2=CC=C(C=C2)C(C)(C)C)C 1 4.473 1 3 0.632828510038673 1475679 CC1=CC(=NC(=C1S(=O)(=O)C)OC2=CC(=CC=C2)Cl)C 1 3.737 1 3 -0.424998733706386 1475678 CC1=CC=C(C=C1)CN2CCN3C(=CC(=N3)C(=O)OC)C2=O 1 2.357 3 3 -6.05106207763205 1475677 CC1=CC(=NC(=C1S(=O)(=O)C)OC2=CC=C(C=C2)F)C 1 3.279 1 3 -1.23342861360738 1475676 CC1=CC(=NC(=C1S(=O)(=O)C)OC2=CC=CC(=C2)C(F)(F)F)C 1 4.015 1 3 1.18787057612791 1475675 CC1=CC=CC=C1OC2=C(C(=CC(=N2)C)C)S(=O)(=O)C 1 3.559 1 3 -3.88114954285269 1475674 CC1=CC(=NC(=C1S(=O)(=O)C)OC2=CC=C(C=C2)OC)C 1 3.057 1 4 -2.50354841941633 1475673 CC1=C(C(=CC=C1)OC2=C(C(=CC(=N2)C3=CC=CC=C3)C)S(=O)(=O)C)C 1 5.71 1 3 0.77094282217438 1475672 CC1=CC(=CC(=C1)OC2=C(C(=CC(=N2)C3=CC=CC=C3)C)S(=O)(=O)C)C 1 5.71 1 3 -0.438140885323741 1475669 CC1=C(C=CC(=C1)Cl)OC2=NC=CC(=C2C#N)N(C)C 1 3.97 3 1 -2.31922031447148 1475668 CN(C)C1=C(C(=NC=C1)OC2=CC(=CC=C2)OC)C#N 1 2.803 3 2 -5.1730615384134 1475667 CC1=C(C=C(C=C1)NC2=NC=CC(=C2C#N)OC)C 1 2.966 3 1 -3.23945700632868 1475661 CC(C)(C)C1=CC=C(C=C1)OC2=NC=CC(=C2C#N)N(C)C 1 4.22 3 1 -1.89859484450005 1475660 CN(C)C1=C(C(=NC=C1)OC2=CC=C(C=C2)F)C#N 1 3.025 3 1 -3.7648519681461 1475658 CN(C)C1=C(C(=NC=C1)OC2=CC=CC=C2)C#N 1 2.819 3 1 -4.96496300558016 1475657 COC1=CC=C(C=C1)NC2=NC=CC(=C2C#N)OC 1 1.977 3 2 0 -3.62847680345586 1475652 CC1=CC(=CC=C1)NC2=NC=CC(=C2C#N)OC 1 2.48 3 1 -1.10389663835944 1475636 COC1=C(C(=NC=C1)OC2=CC=C(C=C2)F)C3=NC=NN3 1 2.652 4 2 -2.17078649276352 1475624 C1=CC2=C(C(=C1)Cl)N(C(=O)C(=O)N2)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.373 4 2 -1.16480909345344 1475623 CC1=CC=C(C=C1)C(=O)CN2C=CC=N2 1 2.222 2 1 -6.77418886458715 1475615 C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=CN(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5)OC2=O 1 3.242 2 5 0 -8.91831726255761 1475611 CC1=CC=C(C=C1)C(=O)NC2=CC(=C(N(C2=O)N)C)C3=CC=NN3 1 0.887 5 2 0 -14.1629119358621 1475605 CC1=CC=C(C=C1)C(=O)NC2=CC(=C(OC2=O)/C=C/N(C)C)C(=O)C 1 1.228 2 4 0 -8.06739656802215 1475598 CC1=CC(=CC(=C1)N2C(=O)N(C(=O)C(=N2)C(=O)/C=C/N(C)C)C)C 1 2.077 4 3 0 -6.35508056366728 1475595 CC1=C(C=C(C(=O)N1N)NC(=O)C2=CC=C(C=C2)Cl)C3=CC=NN3 1 1.065 5 2 0 -12.1526166509414 1475590 CC1=NC=CC2=C1C=C(C(=O)O2)NC(=O)C3=CC=C(C=C3)Cl 1 2.185 2 3 -7.91892347505183 1475584 CC1(CN(C1=O)C2=CC=C(C=C2)F)C 1 2.175 1 1 0.643241912142757 1475579 CC1(CN(C1=O)C2=CC=C(C=C2)N(C)C)C 1 2.132 2 1 -2.72992149193515 1475569 CC1=CC(=CC(=C1)N2CC(C2=O)(C)C)C 1 2.942 1 1 -7.10511328283492e-002 1475564 C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC(=CC=C3)Cl 1 3.145 1 2 1.20548942715639 1475561 CC1=C(C=CC=C1Cl)N2CC(C2=O)(C)C 1 3.12 1 1 2.72301446811292 1475552 COC1=CC=C(C=C1)CN2C(=O)CC3=CC=CC=C3C2=O 1 2.464 1 3 -1.10770374969946 1475551 CC1(CN(C1=O)C2=CC=C(C=C2)N3CC(C3=O)(C)C)C 1 2.109 2 2 -0.894954055540046 1475549 CC1(CN(C1=O)C2=CC=CC(=C2)C#N)C 1 1.848 2 1 0 -1.9160316898497 1475543 CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)Cl)C#N 1 4.299 3 0 0.97390303816686 1475540 CSCC1=CC(=NC(=N1)SCC2=C(C=C(C=C2)Cl)Cl)N3CCOCC3 1 4.559 3 1 -7.99236868410614 1475539 CN(C)C1=NC(=NC(=C1)CSC)SCC2=C(C=C(C=C2)Cl)Cl 1 4.871 3 0 -7.06131545718583 1475538 CNC1=NC(=NC(=C1)CSC)SCC2=C(C=C(C=C2)Cl)Cl 1 4.665 3 0 -8.29978669500762 1475531 CSCC1=CC(=NC(=N1)SCC2=CC(=C(C=C2)Cl)Cl)N3CCOCC3 1 4.559 3 1 -7.57059052591355 1475530 CNC1=NC(=NC(=C1)CSC)SCC2=CC(=C(C=C2)Cl)Cl 1 4.665 3 0 -7.87800853681502 1475529 CN(C)C1=NC(=NC(=C1)CSC)SCC2=CC(=C(C=C2)Cl)Cl 1 4.871 3 0 -6.63953729899324 1475520 CN1C(=C(C(=N1)C2=CC=CC=C2)C#N)SC3=CC(=CC=C3)Cl 1 5.213 3 0 4.02461608467789 1475519 CC1=CC=CC=C1SC2=C(C(=NN2C)C3=CC=CC=C3)C#N 1 5.034 3 0 -0.223941389722657 1475518 CC1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)C#N 1 5.034 3 0 3.46981815573073 1475505 CN1C(=CN=C1SCC2=CC=C(C=C2)Cl)CO 1 2.728 2 1 -4.69892867721124 1475502 C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CSN=N2)Cl 1 3.404 4 1 -13.4077849194633 1475499 C1=CC(=CC=C1C(F)(F)F)NC(=S)NC(=O)C2=CSN=N2 1 3.681 4 1 -10.8171221430263 1475498 C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CSN=N2)C(F)(F)F 1 3.681 4 1 -10.0470764407338 1475496 COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CSN=N2 1 2.723 4 2 -14.8258552395027 1475495 C1=CC=C(C=C1)NC(=S)NC(=O)C2=CSN=N2 1 2.739 4 1 -14.5695431687319 1475493 C1COC(=O)N1S(=O)(=O)NC2=CC=CC=C2 1 0.577 2 4 0 -4.19450485444996 1475487 CNC1=NC(=C(C(=N1)Cl)SC)NC2CCCCC2 1 3.53 4 0 -3.29209247632391 1475485 COC1=C(C=C(C(=C1)NC(=O)CSCC(=O)NC2=CC=CC(=C2)C(F)(F)F)Cl)Cl 1 4.322 2 3 -5.21619572900455 1475484 CNC1=NC(=C(C(=N1)Cl)SC)NCC2=CC(=CC=C2)OC 1 3.238 4 1 -1.71035573331126 1475481 CNC1=NC(=C(C(=N1)Cl)SC)NCC2=CC=C(C=C2)F 1 3.46 4 0 -0.576751357096373 1475478 CC(C)OC1=C(C=C(C(=C1)NC(=O)CS(=O)CC(=O)NC2=CC=CC(=C2)C(F)(F)F)Cl)Cl 1 3.937 2 4 -0.372452747018878 1475477 CC(C)OC1=C(C=C(C(=C1)NC(=O)CSCC(=O)NC2=CC=CC(=C2)C(F)(F)F)Cl)Cl 1 5.049 2 3 -5.75484330704073 1475476 CC1=C(N(C2=C1C(=NC=N2)Cl)CC3=CC=CC=C3)C 1 3.838 3 0 0.111011113653537 1475464 C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NN 1 1.609 4 0 0 2.30735360356859 1475463 C1=CC=C2C=C(C=CC2=C1)C3=CSN=N3 1 3.23 2 0 2.85514933717555 1475462 CC(=O)NC1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C(F)(F)F 1 3.651 3 2 -1.21076519809359 1475420 C1=CC=C(C=C1)CNS(=O)(=O)NCC2=CC(=CC=C2)C(F)(F)F 1 2.658 2 2 1.91075495114843 1475421 C1=CC=C(C=C1)CNS(=O)(=O)NCC2=CC=CC=C2F 1 1.922 2 2 0 -2.79469283293483 1475422 COC1=C(C=C(C=C1)CNS(=O)(=O)NCC2=CC=CC=C2)OC 1 1.683 2 4 0 -5.93341760154695 1475423 COC1=CC=C(C=C1)CNS(=O)(=O)NCC2=CC=CC=C2 1 1.7 2 3 0 -1.42623516945217 1475424 C1=CC=C(C(=C1)CNS(=O)(=O)NCC2=CC=CC=C2F)F 1 2.127 2 2 -3.4024313067272 1475425 COC1=CC=C(C=C1)CNS(=O)(=O)NCC2=CC=CC=C2F 1 1.905 2 3 0 -2.22443114028697 1475426 CC1=CC=C(C=C1)CNS(=O)(=O)NCC2=CC=CC=C2F 1 2.408 2 2 -1.81146493114283 1475428 CC1=CC=C(C=C1)CNS(=O)(=O)NCC2=CC=C(C=C2)OC 1 2.186 2 3 -0.89294768928286 1475461 CC1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C(F)(F)F 1 5.017 2 1 4.27987459920426 1475460 CC1=CC(=CC(=C1)OC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C 1 5.503 2 1 3.20354131319816 1475452 C1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C(F)(F)F 1 4.531 2 1 3.62322759022305 1475450 CCNC(=O)OC1=CC=C(C=C1)C2=CSN=N2 1 2.434 3 2 -7.97140507755409 1475442 CC(=NOCC1=C(C=C(C=C1)F)Cl)C2=CC=C(S2)CC#N 1 4.288 2 1 0.357311993422704 1475441 CC(=NOCC1=C(C(=CC=C1)Cl)Cl)C2=CC=C(S2)CC#N 1 4.747 2 1 -0.885513183530928 1475439 C1=CC=C(C(=C1)CNS(=O)(=O)NCC2=CC=CS2)F 1 1.662 2 2 0 -5.7757329979967 1475438 COC1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C(F)(F)F 1 4.515 2 2 3.72163181886055 1475436 COC1=CC=C(C=C1)CNS(=O)(=O)NCC2=CC(=C(C=C2)OC)OC 1 1.667 2 5 0 -5.64432348161234 1475434 CC1=CC=C(C=C1)CNS(=O)(=O)NCC2=CC=CS2 1 1.942 2 2 0 -3.582207887101 1475433 C1=CC=C(C(=C1)CNS(=O)(=O)NCC2=CC=C(C=C2)Cl)F 1 2.586 2 2 1.05337594439894e-002 1475432 CC1=CC=C(C=C1)CNS(=O)(=O)NCC2=CC(=C(C=C2)OC)OC 1 2.17 2 4 -5.40013012137764 1475431 C1=CC=C(C(=C1)CNS(=O)(=O)NCC2=CC(=CC=C2)C(F)(F)F)F 1 2.864 2 2 1.039053315573 1475430 COC1=C(C=C(C=C1)CNS(=O)(=O)NCC2=CC(=C(C=C2)OC)OC)OC 1 1.65 2 6 0 -6.02118106227299 1475403 C1=CC=C(C=C1)C2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)Cl 1 3.937 2 1 -2.28358601532478 1475402 C1=CC=C(C=C1)S(=O)(=O)CC2=CC(=NC(=N2)C3=CC=NC=C3)Cl 1 2.718 3 2 -4.19250845851214 1475400 C1=CC=C(C=C1)S(=O)(=O)CC2=CC(=O)N=C(N2)C3=CC=NC=C3 1 1.106 3 3 0 -12.1870099668165 1475396 C1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)C3=CC=NC=C3 1 2.122 3 1 -5.21142694035487 1475395 C1=CC=NC(=C1)C2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)Cl 1 3.214 3 1 -2.4373239945418 1475390 C1=CC(=CC=C1SCC2=CC(=O)N=C(N2)C3=CC=NC=C3)Cl 1 2.786 3 1 -2.46626302445193 1475389 CCOC(=O)CN1C(=O)CCC(=N1)/C=C/C2=CC=C(C=C2)OC 1 1.752 2 4 0 -7.83849461592637 1475387 COC1=CC=C(C=C1)/C=C/C2=NN(C(=O)CC2)CC3=CC=CC=C3 1 3.28 2 2 -2.64690254069073 1475385 COC1=CC=C(C=C1)/C=C/C2=NN(C(=O)CC2)CC=C 1 2.313 2 2 -6.99945490947213 1475383 CN1C(=O)CCC(=N1)/C=C/C2=CC=C(C=C2)OC 1 1.697 2 2 0 -6.2989636706114 1475381 COC1=CC=C(C=C1)/C=C/C2=NNC(=O)CC2 1 1.491 2 2 0 -7.23766834053165 1475379 COC1=CC=C(C=C1)/C=C/C(=O)CCC(=O)O 1 1.857 0 4 0 -4.30651895661515 1475377 CC1=C(C=C(C(=O)N1)C#N)C(=O)OC 1 -0.156 2 3 0 -11.6877936470949 1475376 CCN1C(=C(C=C(C1=O)C#N)C(=O)C)C 1 0.274 2 2 0 -8.51371121489541 1475374 CC1=CC=C(C=C1)/C=C/C2=NN(C(=O)CC2)CC3=CC=CC=C3 1 3.783 2 1 -2.23393633154659 1475372 CC1=CC=C(C=C1)/C=C/C2=NN(C(=O)CC2)CC=C 1 2.816 2 1 -6.58648870032799 1475370 C1=CC=NC(=C1)N(CC(=O)NC2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)F 1 3.164 3 3 -13.4948511695446 1475369 C1=CC=C(C=C1)NC(=O)CN(C2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.753 3 3 -12.963473291756 1475365 C1=CC=C(C=C1)NC(=O)CN(C2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 2.548 3 3 -14.8643914185056 1475363 CC1=C(C(=CC=C1)C)NC(=O)CN(C2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.726 3 3 -14.9553274641757 1475362 CC1=C(C(=CC=C1)C)NC(=O)CN(C2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 3.52 3 3 -16.7316271258895 1475361 CCOC(=O)CN1C(=O)CCC(=N1)/C=C/C2=CC=C(C=C2)C 1 2.255 2 3 -7.49657135541727 1475355 CC1=CC=C(C=C1)/C=C/C2=NN(C(=O)CC2)C 1 2.199 2 1 -5.88599746146726 1475345 COC1=NC=C(C=C1)NC(=O)/C(=C(\S(=O)CC2=CC=CC=C2Cl)/Cl)/Cl 1 3.472 2 3 -1.10502230796937 1475343 COC1=CC=C(C=C1)CS(=O)(=O)/C(=C(\C(=O)NC2=CN=C(C=C2)OC)/Cl)/Cl 1 2.888 2 5 0 -6.93220014286943 1475337 CC1=CC=C(C=C1)CS(=O)(=O)/C(=C(\C(=O)NC2=CN=C(C=C2)OC)/Cl)/Cl 1 3.39 2 4 -6.68800678263473 1475335 COC1=CC=C(C=C1)SC2=NC(=NC(=C2)C(F)(F)F)C3=CC=CC=N3 1 4.961 3 1 5.64962973058768 1475334 COC1=NC(=NC(=C1)C(F)(F)F)C2=CC=CC=N2 1 2.842 3 1 0.39190197446455 1475325 CN(C)/C=C/1\C(=O)N(CS1(=O)=O)C2=CC=C(C=C2)Cl 1 1.006 2 3 0 -2.64671840004586 1475322 CC1=CC=C(C=C1)SC2=CN=C(N=C2C)N 1 2.712 3 0 2.47103105819609 1475259 CN(C)C1=NN=NN1C2=CC=C(C=C2)OC(F)(F)F 1 2.92 5 1 -2.59299883257433 1475266 CN(C)C1=NN=NN1CC2=C(C=C(C=C2)Cl)Cl 1 2.136 5 0 -8.25029202826236 1475272 COCC1=C(C=C2C(=O)C3=CC=CC=C3OC2=N1)C(=O)OC 1 2.227 1 5 -2.84897271598715 1475273 CCC1=C(C=C2C(=O)C3=CC=CC=C3OC2=N1)C(=O)OC 1 3.157 1 4 -3.99150921992411 1475275 CC1=C(C=C2C(=O)C3=CC=CC=C3OC2=N1)C(=O)OC 1 2.49 1 4 -3.29829597738177 1475314 CC1=NC(=NC=C1SC2=CC=C(C=C2)Cl)N 1 2.891 3 0 4.48132634311671 1475313 C1C(=O)N(CS1)C2=CC=C(C=C2)Cl 1 2.102 1 1 -2.21302759546148 1475304 CN(C)/C=C(/C(=O)C1=CC=C(C=C1)Cl)\S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.86 1 3 -4.60653507055894 1475294 CN1C(=NN=C1C(F)(F)F)CN(O)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.113 4 3 0 -2.46328543346843 1475283 CC1=C(C=C2C(=O)C3=CC=CC=C3OC2=N1)C(=O)O 1 2.265 1 4 -1.31186714929884 1475255 CN(C)C1=NN=NN1C2=C(C=C(C=C2)Cl)Cl 1 2.129 5 0 -4.98240066207787 1475241 COC1=CC=CC=C1N/C=C/2\C(=O)NC3=C(S2)C=C(C=C3)Cl 1 3.064 2 2 -3.85022890349729 1475215 C1=CC=C(C(=C1)CN/C=C/2\C(=O)NC3=CC=CC=C3S2)Cl 1 2.809 2 1 -4.80902417798038 1475212 COC1=CC=C(C=C1)N/C=C/2\C(=O)NC3=CC=CC=C3S2 1 2.399 2 2 -3.39005582232858 1475210 CC1=CC=C(C=C1)N/C=C/2\C(=O)NC3=CC=CC=C3S2 1 2.902 2 1 -2.97708961318444 1475187 CCOC(=O)COC1=C(C=C(C=C1C=O)Br)OC 1 2.36 0 5 -5.31553355371651 1475162 C1CCN(CC1)C2=C(C(=NC(=N2)N)N3CCCCC3)C=O 1 2.202 5 1 -0.294327241044492 1475161 C1CCN(CC1)C2=C(C(=NC(=N2)N)Cl)C=O 1 2.077 4 1 0.610854712796675 1475156 C1C2=C(C=CC=C2[N+](=O)[O-])C(=O)NC3=CC=CC=C3O1 1 2.246 2 4 -3.89549876756015 1475154 C1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2C(F)(F)F)C3=CC=CC=N3 1 3.111 4 1 -3.08879200643524 1475150 CN(CC1=CC=CC=C1)C2=C(C(=NC(=N2)N)Cl)C=O 1 2.743 4 1 0.211971053953895 1475146 CC1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2C(F)(F)F)C3=CC=CC=N3 1 3.597 4 1 -2.10556410464324 1475141 CC1=CC(=NC(=C1C#N)OCC2=CN=C(C=C2)Cl)C 1 3.156 3 1 -3.74060857553512 1475138 COC(=O)C1=C(C(=CC=C1)N)CN2CCN(CC2)C3=CC=CC=C3 1 2.641 3 2 0.26502992573384 1475136 COC(=O)CC1=CC(=C(C=C1)O)N 1 0.731 1 3 0 -3.43019126942612 1475134 CC1=C(C(=CC=C1)C)N2CCN(CC2)CC3=C(C=CC=C3N)C(=O)OC 1 3.614 3 2 -1.11253372663253 1475127 C=CCN1CCN(CC1)CC2=CN=C(S2)Cl 1 1.887 3 0 0 0.484301007996087 1475126 COC1=C(C=C(C=C1)C2=C(C(=O)N(C(=C2C#N)N)N)C#N)Cl 1 0.769 5 2 0 -4.17416898611524 1475120 COC(=O)COC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)Br 1 4.057 2 3 -2.03329645018214 1475114 C1=CNC2=C3C=CC(=CC3=C(C2=C1)N=O)[N+](=O)[O-] 1 3.172 3 3 2.08011797337604 1475102 CC1=CC(=CC=C1)CSC2=NN=C(O2)C3=CC=CO3 1 3.677 2 2 -5.8030049444984 1475096 C1=CC=C(C(=C1)C(=O)CSC2=NN=C(O2)C3=CC=CO3)Cl 1 3.528 2 3 -6.98330166730639 1475086 CC1=CC=C(C=C1)CN2CCC(CC2)C(=O)OC 1 2.717 1 2 1.21284796358623 1475075 C1=CSC(=C1)CN2C=CC(=O)C(=C2O)CC3=CC=C(C=C3)Cl 1 4.247 1 2 -2.04164461705294 1475069 C1=CC(=CC=C1CC2=C(N(C=CC2=O)CC3=CC=NC=C3)O)Cl 1 3.356 2 2 7.50574798774281e-002 1475064 CCOC(CCN1C=CC(=O)C(=C1O)CC2=CC=C(C=C2)Cl)OCC 1 3.815 1 4 -3.69579688825447 1475056 C=CCN1C=CC(=O)C(=C1O)CC2=CC=C(C=C2)Cl 1 3.54 1 2 -4.85045437850337 1475051 COC1=C(C=C(C=C1)CCN2C=CC(=O)C(=C2O)CC3=CC=C(C=C3)Cl)OC 1 4.795 1 4 -3.23873826282256 1475048 COC1=C(C=C(C=C1)CCN2C=CC(=O)C(=C2O)CC3=C(C=CC=C3Cl)F)OC 1 5.001 1 4 -5.93963171009843 1475046 C1=CC=C(C=C1)CN2C(=NC(=N2)Br)Br 1 3.329 3 0 -2.74673788562731 1475045 C1=CC(=C(C(=C1)Cl)CC2=C(N(C=CC2=O)CC3=CC=C(C=C3)F)O)F 1 4.918 1 2 -2.19495997215543 1475042 CC1=CC=C(C=C1)C(=NO)CSC2=NC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.387 4 1 2.45400466279743 1475041 C1=CC(=CC=C1C(=O)CSC2=NC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl)Br 1 5.582 3 1 -4.21171132318257e-002 1475033 C1=CC(=C(C=C1CON2C=CN=C2)Cl)Cl 1 0.71 2 1 0 2.93684817592953 1475030 C1CCC(CC1)N2C=CC(=O)C(=C2O)CC3=CC=C(C=C3)F 1 4.323 1 2 -2.2158695174717 1475029 C1=COC(=C1)CN2C=CC(=O)C(=C2O)CC3=CC=C(C=C3)F 1 3.23 1 3 -1.65431553781717 1475025 C1=CC(=CC(=C1)Cl)CN2C=CC(=O)C(=C2O)CC3=CC=C(C=C3)F 1 4.712 1 2 1.48656145976838 1475016 CC(C)NC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-] 1 3.777 2 3 -11.9441992133272 1475015 CC(C)(C)NC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-] 1 3.982 2 3 -10.3006306237062 1475013 C1COCCN1C(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-] 1 2.944 2 4 -6.27190287134785 1475007 CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N(C)C)[N+](=O)[O-] 1 3.742 2 3 -3.43315419390135 1475006 CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC(C)C)[N+](=O)[O-] 1 4.263 2 3 -11.0210339880111 1475004 CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-] 1 3.43 2 4 -5.34873764603174 1475001 CC1=CC=C(C=C1)OC2=NC(=NC(=C2)C(F)(F)F)SC 1 5.07 2 1 2.73788834355421 1475000 CSC1=NC(=CC(=N1)OC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F 1 5.526 2 1 4.52394528887516 1474998 CSC1=NC(=CC(=N1)OC2=C(C=C(C=C2)F)F)C(F)(F)F 1 4.995 2 1 2.9738551008707 1474994 C1CC2=CC=CC=C2N(C(=O)C1)CC3=C(C=CC=C3Cl)Cl 1 4.85 1 1 -6.00029704696965 1474993 C1CC2=CC=CC=C2N(C(=O)C1)CC3=C(C=C(C=C3)Cl)Cl 1 4.85 1 1 -1.93822773509717 1474992 C1CC2=CC=CC=C2N(C(=O)C1)CC3=CC=CC=C3Cl 1 4.185 1 1 -4.65416760574626 1474991 C1CC2=CC=CC=C2N(C(=O)C1)CC3=CC(=CC=C3)F 1 3.726 1 1 -2.51015220460896 1474990 C1CC2=CC=CC=C2N(C(=O)C1)CC3=CC=C(C=C3)Cl 1 4.185 1 1 -2.03353835823238 1474987 CCN1C(=O)CCCC2=CC=CC=C21 1 2.286 1 1 -5.093951306274 1474985 C1CC2=CC=CC=C2N(C(=O)C1)CC3=CC(=CC=C3)Cl 1 4.185 1 1 -1.9553100811075 1474984 COC1=CC=C(C=C1)CN2C(=O)CCCC3=CC=CC=C32 1 3.504 1 2 -4.26850325796334 1474979 CC1=NN(C(=C1C(=O)N)Cl)C 1 0.223 3 1 0 -1.93100737410809 1474978 CC1=CC=C(C=C1)C(=O)ON=CC2=C(N(N=C2C)C)Cl 1 3.021 3 2 1.55432765047903 1474974 CC1=NN(C(=C1C=NOC(=O)C2=CC=C(C=C2)F)Cl)C 1 2.741 3 2 2.45450127027809 1474973 CC1=NN(C(=C1C=NOC(=O)C2=CC=CC=C2)Cl)C 1 2.535 3 2 0.94697667730349 1474972 C1CC2=CC=CC=C2N(C(=O)C1)CC3=CC=C(C=C3)F 1 3.726 1 1 -3.14366002335395 1474969 CN1C(=O)CSC2=C1C=C(C=C2)C(=O)O 1 1.013 1 3 0 -7.26840278191612 1474968 C1COCCN1C2=NC3=C(C=NN3C4=CC=CC=C42)C#N 1 1.087 5 1 0 -5.91523074367717 1474967 C1CCN(CC1)C2=NC3=C(C=NN3C4=CC=CC=C42)C#N 1 2.317 5 0 -4.3261446209644 1474957 C1CCN(C1)C2=C(C(=O)N(N=C2)CC(=O)C3=CC=C(C=C3)Cl)Br 1 2.506 3 2 -4.56922949900025 1474956 CC(C)(C)C(=O)CN1C(=O)C(=C(C=N1)N2CCCC2)Br 1 1.714 3 2 0 -8.35308940285882 1474955 CON=C(CN1C(=O)C(=C(C=N1)N2CCCC2)Cl)C3=CC=C(C=C3)Cl 1 2.528 4 2 -3.16631472931173 1474953 C1CCN(C1)C2=C(C(=O)N(N=C2)CC(=O)C3=CC=C(C=C3)Cl)Cl 1 2.422 3 2 -5.09585685523813 1474952 C1COCCN1C2=C(C(=O)N(N=C2)CC(=O)C3=CC=C(C=C3)Cl)Cl 1 1.648 3 3 0 -7.03941149211898 1474929 CN1C2=CC=CC=C2C3=C1SC(=C3)C(=O)NNC(=O)CCl 1 2.27 3 2 -8.79761709354728 1474928 CC(=O)NNC(=O)C1=CC2=C(S1)N(C3=CC=CC=C32)C 1 1.737 3 2 0 -6.33171844506025 1474923 CON=C(CN1C(=O)C(=C(C=N1)N2CCOCC2)Br)C3=CC=C(C=C3)Cl 1 1.839 4 3 0 -4.58324200995469 1474922 CC(C)(C)C(=O)CN1C(=O)C(=C(C=N1)N2CCOCC2)Cl 1 0.856 3 3 0 -10.0071423944591 1474921 CC(C)(C)C(=O)CN1C(=O)C(=C(C=N1)N2CCOCC2)Br 1 0.94 3 3 0 -10.2966440397397 1474920 C1COCCN1C2=C(C(=O)N(N=C2)CC(=O)C3=CC=C(C=C3)Cl)Br 1 1.732 3 3 0 -6.51278413588109 1474911 CC(C)(C)C(=O)CN1C(=O)C(=C(C=N1)Br)Br 1 1.934 2 2 0 -5.56542782597065 1474910 CC1=CC=CC(=C1)C(=O)OC2=NC(=NC3=C2CCCC3)SC 1 5.091 2 2 -5.7650592451631 1474909 CSC1=NC2=C(CCCC2)C(=N1)OC(=O)C3=CC(=CC=C3)Cl 1 5.269 2 2 -3.46999667527642 1474907 CSC1=NC2=C(CCCC2)C(=N1)OC(=O)C3=CC=CC=C3Cl 1 5.269 2 2 -3.41290237862628 1474906 CSC1=NC2=C(CCCC2)C(=N1)OC(=O)C3=CC=C(C=C3)Cl 1 5.269 2 2 -3.33228655848552 1474899 CC1=CC(=CC=C1)CN2C(=O)CCSC3=C2C=C(C=C3)Cl 1 4.366 1 1 1.08103616078528 1474897 CC1=CC=CC(=C1)C(=O)NN=C2CS(=O)(=O)N(C3=C2SC=C3)C 1 1.906 3 3 0 -9.73670582821632 1474895 CCCC(=O)NN=C1CS(=O)(=O)N(C2=C1SC=C2)C 1 0.879 3 3 0 -14.9164702958071 1474893 CN1C2=C(C(=NNC(=O)C3=C(C=CC=C3F)F)CS1(=O)=O)SC=C2 1 1.831 3 3 0 -10.1686360767488 1474888 CC1=CC(=C(C=C1)OCC2=CN=C(S2)Cl)C 1 3.779 1 1 2.57151802551643 1474887 COC1=C(C=C2C(=C1)C(=NC=N2)NCCC3=CC=CC=C3)OC 1 3.135 3 2 7.40053184738268e-002 1474886 COC1=C(C=C2C(=C1)C(=NC=N2)NCC3=CC=CO3)OC 1 1.996 3 3 0 -1.6829711026195 1474885 CC1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)OC)OC 1 3.3 3 2 -0.411571101431647 1474884 C1CN(CCN1CC2=CN=C(S2)Cl)C3=CC=CC=C3F 1 3.148 3 0 7.90635501094464 1474882 CC1=CC=CC=C1CNC2=NC=NC3=CC(=C(C=C32)OC)OC 1 3.3 3 2 -0.952245583123786 1474881 COC1=C(C=C2C(=C1)C(=NC=N2)NCC3=CC=CC=C3F)OC 1 3.019 3 2 -1.23744660191738 1474879 COC1=C(C=C2C(=C1)C(=NC=N2)NCC3=CC=C(C=C3)F)OC 1 3.019 3 2 0.300305924033604 1474878 COC1=CC=CC(=C1)CNC2=NC=NC3=CC(=C(C=C32)OC)OC 1 2.797 3 3 -0.804363507493489 1474877 COC1=C(C=C2C(=C1)C(=NC=N2)NCC3=CC=CC=C3)OC 1 2.814 3 2 -1.22638600621124 1474875 COC1=C(C=C2C(=C1)C(=NC=N2)NCC3=CC=C(C=C3)Cl)OC 1 3.478 3 2 1.41042758915517 1474874 COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)N4CCOCC4)OC 1 2.657 4 3 0 2.40086048296333 1474873 CC1=CC=C(C=C1)NC(=O)ON=CC2=CC(=CC=C2)[N+](=O)[O-] 1 3.433 3 4 0 -1.40587840088317 1474869 C1CN(CCN1C2=CC=CC=C2)C3=NC=C(S3)C=O 1 2.049 3 1 3.73159668416213 1474861 COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)OCO4)OC 1 2.575 3 4 0 0.785571416327433 1474840 C1CC1C(=O)ON=CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.132 2 4 -6.00849599239481 1474810 CCN1C(=NNC1=S)C2=CC3=C(S2)N(N=C3C(F)(F)F)C 1 3.502 5 0 -2.71304211028498 1474789 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)OCCO4 1 2.772 3 3 -4.82260013155801 1474786 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 1.729 3 5 0 -12.4822447060995 1474785 C1CN(CCN1CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4 1 2.478 3 3 -5.9714868852674 1474782 CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4 1 3.539 3 3 -6.84697109687723 1474781 C1CN(CCN1C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4 1 2.567 3 3 -5.7957803521655 1474775 CN1CCN(CC1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 0.895 3 3 0 -7.0474183105741 1474772 CC(C)(C)C(=O)N1CCC(CC1)(CS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)O 1 2.918 1 4 -7.25482652913047 1474770 COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3CC3 1 3.829 0 2 -0.397946890715643 1474754 CC(C)(C)C(=O)N1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)OC)O 1 1.573 1 5 0 -7.86399522775901 1474753 CC(C)CC(=O)N1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)OC)O 1 1.401 1 5 0 -9.33520597701011 1474746 CC(C)CC(=O)N1CCC(CC1)(CS(=O)(=O)CC2=CC=CC=C2)O 1 1.425 1 4 0 -7.99220111133367 1474742 CC(C)CC(=O)N1CCC(CC1)(CS(=O)(=O)CC2=CC=CC=C2Cl)O 1 2.089 1 4 -5.9856302168461 1474741 CC(C)(C)C(=O)N1CCC(CC1)(CS(=O)(=O)CC2=CC=CC=C2Cl)O 1 2.26 1 4 -4.514419467595 1474735 C1=CC2=C(C=CC3=CC=CN32)C(=C1)NS(=O)(=O)C4=CC=CS4 1 3.136 2 2 -3.8328110931737 1474731 CCOC(=O)C1CCN(CC1)C2=C(C(=CC(=N2)C)C)C#N 1 2.704 3 2 -7.02732106103786 1474695 CC(=O)C(CC1=CN=C(C=C1)Cl)CC2=CN=C(C=C2)Cl 1 3.448 2 1 -2.79063504889793 1474694 CC(=O)C(CC1=CN=C(C=C1)Cl)(CC2=CN=C(C=C2)Cl)C(=O)C 1 3.109 2 2 -1.67657169714565 1474692 CC1=CC=C(C=C1)COC2=COC(=CC2=O)CO 1 1.185 0 4 0 -0.872026053332606 1474688 C1=CC(=C(N=C1)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F)NO 1 3.829 4 1 -1.46435155727953 1474687 CC1=NN(C(=O)C2=CC=CC=C2O1)S(=O)(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.547 2 4 -2.35470617176089 1474686 CC1=CC=C(C=C1)S(=O)(=O)N2C(=O)C3=CC=CC=C3OC(=N2)C 1 2.705 2 4 -6.85582388654309 1474682 C1=CC=C(C=C1)C2=NC(=O)C3=NC(=O)N(C(=C3N2)N)C4=CC=CC=C4 1 1.847 5 2 0 -5.62292908026105 1474679 C1COCCN1C2=NC=C(S2)C=NNC(=O)C3=CC=CC=C3 1 1.201 4 2 0 -5.58682793874922 1474677 C1CN(CCN1CC2=CC=CC=C2)C3=NC=C(S3)C=O 1 1.961 3 1 0 4.63729562360736 1474669 C1CCN(CC1)C2=NC=C(S2)C=NNC(=O)C3=CC=C(C=C3)Cl 1 3.095 4 1 -1.38009555794029 1474667 COC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=O)O2)C3=CC=CC=C3 1 2.143 1 5 -5.38352058568268 1474666 COC1=C(C=C(C=C1)S(=O)(=O)N2C(=CC(=O)O2)C3=CC=CC=C3)OC 1 2.127 1 6 0 -9.39376743163799 1474661 COC1=CC=CC(=C1)C(=O)OC2=CC(=NO2)C3=CC=CC=C3 1 3.771 1 4 -2.3805071243702 1474659 C1=CC=C(C=C1)C2=NOC(=C2)OC(=O)C3=CC(=CC=C3)C(F)(F)F 1 4.729 1 3 1.6610785158706 1474654 CC1=CC=C(C=C1)C(=O)OC2=CC(=O)CC(C2)(C)C 1 3.236 0 3 -12.2113144115695 1474653 C1=CC=C(C=C1)C2=NOC(=C2)OC(=O)C3=CC=C(C=C3)F 1 3.993 1 3 0.246982112960276 1474651 C1=CC=C(C=C1)C2=NOC(=C2)OC(=O)C3=CC=C(C=C3)Cl 1 4.451 1 3 1.35710377808184 1474650 CC1=CC=C(C=C1)C(=O)OC2=CC(=NO2)C3=CC=CC=C3 1 4.273 1 3 -0.464894912504975 1474642 C1=CC(=CC=C1C2=CC=NC(=S)N2)F 1 2.74 2 0 -0.44540862840577 1474633 C1=CC=C(C=C1)C2=NC=C(C(=N2)OC3=CC=CC=C3)C(=O)O 1 3.4 2 3 4.9398400635379 1474632 CCOC(=O)C1=CN=C(N=C1OC2=CC(=CC=C2)Cl)C3=CC=CC=C3 1 4.639 2 3 5.22050537125357 1474631 CCOC(=O)C1=CN=C(N=C1OC2=CC=C(C=C2)OC)C3=CC=CC=C3 1 3.958 2 4 3.09951200784676 1474630 C1=CC(=CC=C1C(F)(F)F)OCC(=O)NN 1 1.117 2 2 0 1.10379565610651e-002 1474628 CCOC(=O)C1=CN=C(N=C1OC2=CC=C(C=C2)C)C3=CC=CC=C3 1 4.46 2 3 3.65775478819046 1474626 CCOC(=O)C1=CN=C(N=C1OC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.639 2 3 5.47975347877728 1474625 CCOC(=O)C1=CN=C(N=C1OC2=CC=CC=C2)C3=CC=CC=C3 1 3.974 2 3 2.87648931417342 1474620 C1=CC=C(C=C1)C2=NC=C(C(=N2)SC3=C(C=C(C=C3)Cl)Cl)C(=O)O 1 5.287 2 2 4.16434332938387 1474619 CCOC(=O)C1=CN=C(N=C1OC2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3 1 5.303 2 3 4.63693533043872 1474615 C1=CC=C(C=C1)C2=NC=C(C(=N2)SC3=CC=CC=C3Cl)C(=O)O 1 4.623 2 2 0.801545069593234 1474612 COC1=CC=C(C=C1)SC2=NC(=NC=C2C(=O)O)C3=CC=CC=C3 1 3.942 2 3 2.84285229070717 1474605 CC1=CC(=CC=C1)SC2=NC(=NC=C2C(=O)O)C3=CC=CC=C3 1 4.444 2 2 3.47175568522447 1474602 C1=CC=C(C=C1)C2=NC=C(C(=N2)SC3=CC(=CC=C3)Cl)C(=O)O 1 4.623 2 2 3.81061642879847 1474598 C1=CC=C(C=C1)C2=NC=C(C(=N2)SC3=CC=CC=C3)C(=O)O 1 3.958 2 2 2.03962181248695 1474595 C1=CC=C(C=C1)C2=NC=C(C(=N2)SC3=CC=C(C=C3)Cl)C(=O)O 1 4.623 2 2 5.07781719043812 1474585 CC1=CC(=CC=C1)NC(=O)C2=C3C(=O)N(CCN3N=C2)CC4=CC=C(C=C4)OC 1 2.841 4 3 0 -4.7240706111706 1474584 COC1=CC=C(C=C1)CN2CCN3C(=C(C=N3)C(=O)NC4=CC=CC=C4)C2=O 1 2.355 4 3 0 -6.76837030287308 1474583 CC1=CC(=CC(=C1)NC(=O)C2=C3C(=O)N(CCN3N=C2)CC4=CC=C(C=C4)OC)C 1 3.328 4 3 0 -7.00048016332981 1474582 COC1=CC=C(C=C1)CN2CCN3C(=C(C=N3)C(=O)NC4=C(C=C(C=C4)Cl)Cl)C2=O 1 3.684 4 3 0 -4.68888680927918 1474574 CC1=CC(=NC(=C1S(=O)(=O)C)N(C)NC(=O)C2=C(C=CC=C2F)F)C3=CC=CC=C3 1 4.601 3 3 -7.69762973728791 1474573 CC1=CC(=NC(=C1S(=O)(=O)C)N(C)NC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.854 3 3 -5.38064059941672 1474571 CC1=CC(=NC(=C1S(=O)(=O)C)N(C)NC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3 1 4.174 3 4 0 -7.61560549914767 1474570 C1CN2C(=CC(=N2)C(=O)O)C(=O)N1CC3=CC=CC=C3Cl 1 2.31 3 3 -4.78468022933219 1474566 C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)F 1 2.591 2 2 -0.852529230062664 1474545 CC1=CC=C(N1C2=CC=C(C=C2)C3=NC(=NC=C3)C)C 1 3.121 3 0 -0.630835982324292 1474527 CC1=CC=C(C=C1)C(=O)OCCC2=C(NN(C2=O)C3=CC=CC=C3)C 1 3.219 2 3 -7.28894319783194 1474515 C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=CC5=C(C=C4)N=CC=C5 1 3.65 4 2 -1.79592683921619 1474505 CC1=CC=C(N1C2=CC=C(C=C2)C3=NC(=NC=C3)N)C 1 2.939 4 0 -0.377572187643525 1474504 CC1=CC=C(N1C2=CC=C(C=C2)C3=CC=NN3)C 1 3.251 3 0 -5.51791685826901 1474493 C1CC1NC(=O)C2=CC3=C(S2)C=CC(=C3)Br 1 3.429 1 1 -3.04440573392253 1474490 C1=CC(=C(C(=C1)F)C(=O)OCN2C(=O)C(=C(C=N2)Br)Br)F 1 2.703 2 3 -5.26754944767135 1474489 C1=CC(=CC=C1C(=O)OCN2C(=O)C(=C(C=N2)Br)Br)F 1 2.498 2 3 -3.70274696918398 1474487 C1=CC=C(C(=C1)C(=O)OCN2C(=O)C(=C(C=N2)Br)Br)Cl 1 2.957 2 3 -4.32187064670235 1474486 CC1=NN(C=C1C2=CC=CC=C2OC)C(C)(C)C 1 3.195 2 1 0.171052539154099 1474476 C1COCCN1C(=O)C2=CC3=C(S2)C=CC(=C3)Br 1 2.833 1 2 -3.02772588867954 1474475 CNC(=O)C1=CC2=C(S1)C=CC(=C2)Br 1 2.939 1 1 -2.21197628272098 1474474 CN(C)C(=O)C1=CC2=C(S1)C=CC(=C2)Br 1 3.145 1 1 1.55867185703862 1474470 CC(C)(C)C1CCC(=NOC(=O)C2=CC=C(C=C2)F)CC1 1 4.24 1 2 -0.473903887874453 1474465 CC1=CC=C(C=C1)C(=O)OCN2C(=O)C(=C(C=N2)Cl)Cl 1 2.611 2 3 1.90724039526938 1474464 C1=CC(=CC=C1C(=O)OCN2C(=O)C(=C(C=N2)Cl)Cl)C(F)(F)F 1 3.067 2 3 5.50300728260167 1474463 C1=CC(=CC(=C1)C(F)(F)F)C(=O)OCN2C(=O)C(=C(C=N2)Cl)Cl 1 3.067 2 3 4.27044595439137 1474462 C1=CC(=CC=C1C(=O)OCN2C(=O)C(=C(C=N2)Cl)Cl)F 1 2.33 2 3 2.61911742073463 1474461 C1=CC=C(C(=C1)C(=O)OCN2C(=O)C(=C(C=N2)Cl)Cl)Cl 1 2.789 2 3 1.18386474169778 1474460 CC1=NC2=C(C=NN2C(=C1)N)C3=CC=C(C=C3)F 1 1.902 4 0 0 -2.13990947698884 1474458 CC1=NC2=C(C=NN2C(=C1)C(F)(F)F)C3=CC=C(C=C3)F 1 3.48 3 0 -4.80585545320284 1474457 CC1=NC2=C(C=NN2C(=C1C3=CC=C(C=C3)F)N)C4=CC=C(C=C4)F 1 3.625 4 0 -2.25412603165514 1474455 C1=CC(=CC=C1C2=C3N=CC(=C(N3N=C2)N)C4=CC=C(C=C4)Cl)F 1 3.802 4 0 -0.81540129031712 1474453 CSC1=NN2C(=CC(=NC2=N1)C(F)(F)F)C3=CC=CC=C3 1 4.621 4 0 2.7569474871785 1474452 CC1=C(C=C(C=C1)F)NC(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.225 2 1 -0.597656399808778 1474451 CC(C)(C)S(=O)(=O)C1=C(N2C(=C(C=N2)C3=CC=C(C=C3)F)N=C1)N 1 2.076 4 2 -5.0803391005436 1474449 C1=CSC(=C1)C2=C(N3C(=C(C=N3)C4=CC=C(C=C4)F)N=C2)N 1 3.091 4 0 -3.72704799073361 1474447 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C=NC=N3 1 0.674 5 2 0 -11.3832865896512 1474443 COC1=CC=C(C=C1)C2=C(N3C(=C(C=N3)C4=CC=C(C=C4)F)N=C2)N 1 3.121 4 1 -3.05036619004808 1474442 C1=CC(=CC(=C1)Br)NC(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.282 2 1 2.07035069957835 1474438 COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=C(C=N3)C4=CC=CC=N4)N 1 3.158 5 1 2.29632858716677 1474437 C1=CC=NC(=C1)C2=C(N(N=C2)C3=NC(=CS3)C4=CC=C(C=C4)F)N 1 3.38 5 0 3.42117182177616 1474431 CC1=CC=C(C=C1)C2=CN3C(=C(C(=N3)C)Cl)N=C2 1 3.054 3 0 3.11654234185901 1474430 CC1=CC=C(C=C1)C2=CN3C(=CC(=N3)C)N=C2 1 2.39 3 0 2.04425120996182 1474429 C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NNC(=N3)N 1 1.742 6 0 0 10.1090271844881 1474368 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NN2C)C3=CC=CC=C3)CO 1 3.535 2 3 -1.23402059279962 1474370 CC1=CC(=NC(=C1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)Cl)C 1 4.824 1 2 -1.55343268572548 1474387 CC1=NC2=C(C=NN2C(=C1C3=CC=C(C=C3)F)N)C4=CC=C(C=C4)Cl 1 4.084 4 0 0.394191601149235 1474426 CC1=NN2C=C(C=NC2=C1Br)C3=CC=C(C=C3)Cl 1 3.316 3 0 4.63205345889303 1474425 CC1=NN2C=C(C=NC2=C1Cl)C3=CC=C(C=C3)Cl 1 3.232 3 0 4.31070862526115 1474423 CC1=NN2C=C(C=NC2=C1)C3=CC=C(C=C3)Cl 1 2.568 3 0 4.05454649488244 1474418 CC1=C(C(=O)N2C(=N1)N=CN2)C/C=C/C3=CC=CC=C3 1 1.486 4 1 0 -3.0198704668391 1474412 COC1=CC=C(C=C1)C2=C(N(N=C2)C3=NC(=C(S3)CC(=O)O)C4=CC=CC=C4)N 1 3.836 4 3 0 2.06391943892999e-002 1474409 C1=CSC(=C1)C2=C(N(N=C2)C3=NC(=CS3)C4=C(C=C(C=C4)Cl)Cl)N 1 5.179 4 0 2.91921296099314 1474408 C1=CSC(=C1)C2=C(N(N=C2)C3=NC(=CS3)C4=CC=C(C=C4)F)N 1 4.055 4 0 1.87289879332913 1474403 COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=C(C=N3)C4=CC=CS4)N 1 3.833 4 1 0.74805555871974 1474401 CC(C)(C#CC1=C(C=C(C=N1)C(F)(F)F)Cl)O 1 3.283 1 1 1.31425592605804 1474397 COC(=O)CC1=CC(=O)N2C(=N1)N=C(N2)SC 1 -3.e-002 4 3 0 -10.0981888567383 1474358 CC1=CC(=C(C(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C 1 2.385 1 3 -10.7622183491344 1474352 CC1=CC(=C(C(=O)N1)S(=O)(=O)C)C 1 -0.134 1 3 0 -13.0915356906547 1474337 COC1=C(C(=NC=C1)N2C=CC=C2C#N)C#N 1 2.127 4 1 -6.34512964394582 1474335 COC1=C(C(=NC=C1)N2C=CC=C2C=NO)C#N 1 2.075 4 2 -3.80347224476712 1474328 C1=C(SC(=C1)C(=O)CCl)CC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.785 1 1 2.66710004587632 1474325 COC1=C(C(=NC=C1)N2C=CC=C2C=O)C#N 1 2.007 3 2 -5.85393458641927 1474323 COC1=C(C(=NC=C1)NCC2=CC=C(C=C2)Cl)C#N 1 2.665 3 1 -4.33188478137324 1474309 C1=CC2=C(N=C1)N(C(=O)C3=NN=CN23)CCNC4=C(C=C(C=N4)C(F)(F)F)Cl 1 2.384 7 1 0 5.4185355345525e-002 1474307 C1=CC2=C(N=C1)N(C(=O)C(=N2)NN)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl 1 1.66 7 1 0 2.21584995016206 1474297 C1CC2(CCC1=O)NC(=O)N(N2)C3=CC=CC=C3 1 0.546 3 2 0 -0.789035552857099 1474291 C=CCN1C2=CC=CC=C2N=C1C3=C(N=CC=C3)Cl 1 3.816 3 0 -1.0371543689631 1474290 CCOC(=O)CN1C2=CC=CC=C2N=C1C3=C(N=CC=C3)Cl 1 3.255 3 2 -4.35002675734449 1474289 CCN1C2=CC=CC=C2N=C1C3=C(N=CC=C3)Cl 1 3.548 3 0 2.1327061427613 1474287 C1=CC=C(C=C1)S(=O)(=O)CC2=C(OC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl 1 5.603 0 4 -1.84264243784971 1474273 CC1=CC(=CC=C1)N2C(=NN=N2)C3=CC(=CC=C3)C 1 3.614 4 0 -3.20429546753376e-002 1474271 C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)C4=C(N=CC=C4)Cl 1 5.447 3 0 1.89320917589602 1474259 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C4=C(N=CC=C4)Cl 1 4.783 3 0 -9.58884149643167e-002 1474209 CC1=CC2=C(C(=C1C)NS(=O)(=O)C3=C(C=C(C=C3Cl)Cl)Cl)N=CN2C 1 5.004 3 2 3.52663428549898 1474208 CC1=CC2=C(C(=C1C)NS(=O)(=O)C3=CC=CC=C3Cl)N=CN2C 1 3.675 3 2 -1.34637816505293 1474206 CC(C)SC1=NC=C(C(=O)N1)OC 1 0.868 2 2 0 -5.63456593207821 1474201 CCOC(=O)CSC1=NC=C(C(=O)N1)OC 1 0.198 2 4 0 -13.6911711455934 1474190 CC1=CC2=C(C(=C1C)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)N=CN2C 1 4.34 3 2 2.11247461104982 1474187 CC1=CC2=C(C(=C1C)NS(=O)(=O)C3=CC=C(C=C3)OC)N=CN2C 1 2.995 3 3 -0.146355767317496 1474186 CC1=CC2=C(C(=C1C)NS(=O)(=O)C3=CC=C(C=C3)F)N=CN2C 1 3.217 3 2 0.978487467291895 1474185 CC1=CC2=C(C(=C1C)NS(=O)(=O)C3=CC=C(C=C3)Cl)N=CN2C 1 3.675 3 2 2.08860913241346 1474155 CC1=CC2=C(C(=C1C)NS(=O)(=O)C)N=CN2CC3=CC=CC=C3 1 3.018 3 2 -6.21241173869011 1474153 CC1=C(C(=CC=C1)C)OC2=NC(=NC=C2OC)C3=CC=CC=N3 1 4.004 3 2 4.49415544203425 1474148 COC1=CN=C(N=C1OC2=CC=C(C3=CC=CC=C32)Cl)C4=CC=CC=N4 1 4.604 3 2 7.65948958393826 1474141 CN(C)C1=NC(=NC=C1OC)C2=CC=CC=N2 1 1.014 4 1 0 1.18341852182978 1474112 C1=CC=C(C(=C1)CC[N+](=O)[O-])NC(=O)NC2=CC=C(C=C2)Cl 1 3.553 3 3 -4.01643392525084 1474111 C1=CC=C(C(=C1)CC[N+](=O)[O-])C(=O)NNC2=CC=CC=N2 1 2.391 4 3 0 -4.41783561163613 1474110 C1=CC=C(C(=C1)CC[N+](=O)[O-])C(=O)NNC2=NC(=CC=C2)Cl 1 2.627 4 3 0 -4.79971190781344 1474102 CCOC(=O)C1=CC(=C(N(C1=O)NC(=O)C2=CC=CC=C2)N)C(=O)OCC 1 0.824 3 6 0 -10.8976437883856 1474089 C1=CC=C2C(=C1)C(=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl)/C=C/C(=O)O 1 4.998 2 2 6.41089560531146 1474087 C1=CC=C2C(=C1)C(=O)N(C2=O)OCC3=CC=C(C=C3)Cl 1 2.956 1 3 0.320641870391061 1474076 C1=CC=C2C(=C1)C(=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl)C=C(C#N)C#N 1 5.087 4 0 4.52873389987285 1474061 CC1=CC=C(C=C1)N2C(=O)CSCC2=O 1 1.593 1 2 0 -2.8612208681777 1474049 CN1C(=NNC1=S)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.529 4 2 0 -6.21431701159228 1474031 CC1=C(N=C(S1)C2=CC=C(C=C2)C(=O)OC)O 1 2.508 1 3 1.40478528643273 1474027 CC1=C(N=C(S1)C2=NC=CN=C2)OC 1 1.006 3 1 0 -1.28695098632923 1474009 COC(=O)CSC1=C(N=NS1)C2=C(C=C(C=C2)Cl)Cl 1 4.023 2 2 -5.21550612857503 1474008 CC1=CC=CC=C1NC(=O)C(=C(Cl)Cl)Cl 1 3.243 1 1 -2.36153966274598 1474006 CC1=C(C(=CC=C1)C)NC(=O)C(=C(Cl)Cl)Cl 1 3.729 1 1 -1.48750771172107 1474002 C1=CC=NC(=C1)SC2=C(N=NS2)C3=CC=C(C=C3)F 1 4.158 3 0 0.359279332177523 1473998 CC1=NC(=NN1C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(C)C 1 2.998 4 1 -4.87288967515935 1473996 CSC1=C(N=NS1)C2=CC=CC=C2 1 2.988 2 0 0.919655757166958 1473994 COC(=O)CSC1=C(N=NS1)C2=CC=C(C=C2)F 1 2.9 2 2 -6.6283950964662 1473980 CC1=NC(=NN1C2=CC(=CC(=C2)Cl)Cl)C(=O)N(C)C 1 2.477 4 1 0.954930643739411 1473979 CC1=NC(=NN1C2=CC(=CC(=C2)Cl)Cl)C(=O)NC 1 2.271 4 1 -1.07424037712637 1473978 C1=CC=C(C=C1)C2=C(SN=N2)SC3=CC=CC=N3 1 3.953 3 0 -0.995527106615331 1473977 C1=CC=C(C=C1)CSC2=C(N=NS2)C3=CC=CC=C3 1 4.571 2 0 -3.06455764641801 1473970 CC(C)SC1=C(N=NS1)C2=CC=CC=C2 1 3.714 2 0 -0.726617281026896 1473969 C1=CC=C(C=C1)S(=O)/C(=C(/C(=O)NC2=CC=CC=C2Cl)\Cl)/Cl 1 4.093 1 2 0.148572740099576 1473962 CCOC(=O)CSC1=C(N=NS1)C2=CC=CC=C2 1 3.044 2 2 -8.63772267631384 1473958 CCOC(=O)C1=NN(C(=N1)C)C2=CC(=CC(=C2)Cl)Cl 1 3.267 3 2 0.184254894739683 1473944 C1=CC=C(C=C1)N/C=C(\[N+](=O)[O-])/S(=O)(=O)C2=CC=CC=C2 1 2.935 2 4 -5.04446363891966 1473928 C1=CC=C(C=C1)CN2C=CC=C(C2=O)C(=O)NC3=C(C=C(C=C3F)F)F 1 2.826 2 2 -5.64920928169571 1473918 C1=CC(=CN=C1)CNS(=O)(=O)C2=CC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.169 4 2 -0.584439698611557 1473895 C1=C(C=NC(=C1Cl)NCCN2C=C(C(=O)NC2=O)C#N)C(F)(F)F 1 1.485 5 2 0 -4.40260895424922 1473850 CNC(=O)C1=CSC(=N1)C2=CC=CS2 1 1.8 2 1 0 -9.26669422016631 1473845 C1=CSC(=C1)C2=NC(=CS2)C(=O)NC3=C(C=C(C=C3)F)F 1 3.788 2 1 -7.22862568625291 1473840 CC1=C(SN=N1)SCC(=O)O 1 0.805 2 2 0 -11.7539931656829 1473837 CCOC(=O)CSC1=C(N=NS1)C 1 1.379 2 2 0 -13.5426276818049 1473832 CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=CC=N3)[N+](=O)[O-])C 1 3.707 4 3 0 -6.67739066770876 1473829 CC1=C(SN=N1)SC2=CC=CC=N2 1 2.288 3 0 -5.65658519807592 1473828 CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3C=CC=N3)[N+](=O)[O-] 1 3.221 4 3 0 -4.63922452626429 1473826 CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=CC=N3)[N+](=O)[O-] 1 3.221 4 3 0 -6.289637948847 1473822 C1=CC=C(C(=C1)NC(=O)C2=CC(=C(C=C2)N3C=CC=N3)[N+](=O)[O-])Cl 1 3.399 4 3 0 -6.29605810916819 1473817 COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3C=CC=N3)[N+](=O)[O-] 1 2.719 4 4 0 -9.82843712814963 1473812 COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 2.035 5 4 0 -12.7555099288396 1473802 COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC 1 2.018 5 5 0 -17.81250037295 1473801 CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] 1 2.537 5 3 0 -12.3425437196954 1473797 CC(C)NC(=O)C1=NOC2=C1C=CC(=C2)[N+](=O)[O-] 1 1.741 3 4 0 -11.9218319095113 1473795 C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])Cl 1 2.715 5 3 0 -10.5205450291086 1473794 C1=CC(=CC=C1C2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl)C(=O)O 1 5.116 1 2 5.55046006342734 1473793 C1=CC(=CC=C1C2=NC(=CS2)C3=CC=C(C=C3)Cl)C(=O)O 1 4.451 1 2 5.7961603036086 1473790 COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)O)OC 1 2.236 1 4 -4.36922258139147 1473788 CC1=C(SC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O 1 2.308 2 4 -2.19969338048389 1473758 C1=CC(=CC=C1N)SC2=C(N=CC(=C2)C(F)(F)F)C#N 1 3.3 3 0 2.9929868891211 1473716 CC1=CC(=NC2=C(C(=CN12)C3=CC=C(C=C3)Cl)C(=O)O)C 1 2.948 2 2 -0.379703622118001 1473695 C1=CN2C(=NC=N2)C(=C1)NC(=O)C3=CC=C(C=C3)Cl 1 2.074 4 1 -6.3949416786785 1473694 C1=CN2C(=NC=N2)C(=C1)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.739 4 1 -4.11647679013923 1473636 C1=CC(=CC(=C1)NC(=O)C2=NNC(=N2)CN3C=NC=N3)C(F)(F)F 1 1.161 7 1 0 -6.20269665987387 1473640 C1=CC(=CC=C1NC(=O)C2=NNC(=N2)CN3C=NC=N3)OC(F)(F)F 1 2.338 7 2 0 -7.87710660195237 1473648 COC1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C(=O)OC)OC3=CC(=CC=C3)Cl 1 3.469 2 5 0 -2.04002628464167 1473649 C1=CC=C(C=C1)NC(=O)C2=NNC(=N2)CN3C=NC=N3 1 0.219 7 1 0 -10.7251633878719 1473656 COC(=O)C1=NN(C(=O)C=C1SC2=CC=CC=N2)C3=CC=C(C=C3)Cl 1 3.433 3 3 -4.42204423682589 1473692 C1=CC=C(C=C1)C(=O)NC2=CC=CN3C2=NC=N3 1 1.41 4 1 0 -9.10998216329944 1473686 CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)OC)SCC3=CC=CC=C3Cl 1 5.533 3 2 -7.69711584760218 1473685 CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)OC)SCC3=CC=CC=C3 1 4.868 3 2 -6.86395107780602 1473679 C1=CC(=CC=C1NC(=O)C2=CN=C(C=C2)N3C=CN=C3)F 1 1.878 4 1 0 -5.12790306473996 1473676 CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)OC)Cl 1 3.078 3 2 -2.67623497949527 1473675 CC1=CC=C(C=C1)SC2=C(C(=NN2C)C(F)(F)F)C(=O)NC3=C(C=C(C=C3)F)F 1 5.775 3 1 -0.221465457027499 1473674 CC1=C(C=CC=C1Cl)NC(=O)C2=CN=C(C=C2)N3C=CN=C3 1 2.823 4 1 -4.49353128029419 1473673 CC1=CC(=CC=C1)NC(=O)C2=CN=C(C=C2)N3C=CN=C3 1 2.159 4 1 -3.95213453687608 1473670 CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=C(C=C(C=C2)F)F)SC3=CC=C(C=C3)Cl 1 5.953 3 1 1.60053323355932 1473669 COC1=CC=C(C=C1)N2C(=O)C=C3C(=N2)C(=O)NN3 1 -0.148 4 3 0 -3.75947402256737 1473663 C1=CC=NC(=C1)SCC2=NC(=NN2)C3=CC=NC=C3 1 1.766 5 0 0 -0.972962835614668 1473659 COC1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C(=O)OC)NN 1 6.e-003 4 4 0 -4.3151563369015 1473628 CC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=C(C=C2)OC)/C=C/N(C)C 1 0.725 2 5 0 -8.48036277716628 1473626 CC1=C(C=C(C(=O)O1)NC(=O)C2=CC=C(C=C2)OC)C(=O)OC 1 1.125 1 6 0 -10.301867467704 1473625 COC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCCC3=O)OC2=O 1 1.363 1 5 0 -13.1993358111434 1473624 CC1=C(C=C(C(=O)O1)NC(=O)C2=CC=C(C=C2)OC)C(=O)C 1 1 1 5 0 -9.68695134723501 1473623 CC1=C(C=C(C(=O)O1)NC(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 3.355 1 4 -6.99995831411037 1473622 CC1=C(C=C(C(=O)O1)NC(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3 1 2.674 1 5 -9.23492321384133 1473621 CCOC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3 1 2.708 1 6 0 -8.93059955488108 1473620 CC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=C(C=C2)Cl)/C=C/N(C)C 1 1.406 2 4 0 -6.24539787743533 1473617 CCOC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.389 1 5 -6.76667760378517 1473615 C1CC2=C(C=C(C(=O)O2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)C1 1 2.043 1 4 -10.9643709114124 1473605 CCOC(=O)C1=C(N=C2N1C=C(C=C2)Cl)C3=CC=CC=C3 1 3.814 2 2 -0.125559533503473 1473604 CCOC(=O)C1=C(N=C2N1C=CC=C2C)C3=CC=CC=C3 1 3.636 2 2 -3.65634573959995 1473603 CCOC(=O)C1=C(N=C2N1C=CC(=C2)C)C3=CC=CC=C3 1 3.636 2 2 -2.50860994281879 1473602 CCOC(=O)C1=C(N=C2N1C=C(C=C2)C)C3=CC=CC=C3 1 3.636 2 2 -0.670391493559543 1473601 CCOC(=O)C1=C(N=C2N1C=CC=C2)C3=CC=CC=C3 1 3.15 2 2 -2.24472358156414 1473592 COC(CC1=NN=C(N1C2=CC=CC=C2)SC)OC 1 2.374 3 2 -7.65194860334415 1473587 COC(CC1=NN=C(N1C2=CC=C(C=C2)Cl)SC)OC 1 3.038 3 2 -5.1634574021697 1473570 CCOC(=O)C1=C(NC(=O)C(=C1)C(=O)C)C 1 4.4e-002 1 4 0 -10.4522656162846 1473565 CN(C)/C=C(\C#N)/C(=O)NC1=C(C=C(C=C1)O)F 1 0.907 3 2 0 -7.61294827842985 1473557 CC1=CC=C(C=C1)CN2CCC(=O)N2 1 1.091 2 1 0 -1.88765314083699 1473556 C1CN(NC1=O)CC2=CC=C(C=C2)Cl 1 1.269 2 1 0 -6.56544502501715e-002 1473552 C1CN(NC1=O)N=NC2=CC(=CC=C2)Cl 1 1.981 4 1 0 2.64223510084284 1473538 COC1=C2C=CC(=NC2=C(C=C1)OC)C3=CN=CC=C3 1 2.779 2 2 2.247282220093 1473537 COC1=C2C=CC(=NC2=C(C=C1)OC)C3=CC=NC=C3 1 2.779 2 2 4.21792896834668 1473526 CCOC(=O)C1CCN(CC1)CC2=CN=C(C=C2)Cl 1 2.302 2 2 -1.88648213404178 1473524 C1=CC(=NC=C1CN2C=CN=C2)Cl 1 1.229 3 0 0 1.04830216120739 1473523 C1=CN(N=C1)CC2=CN=C(C=C2)Cl 1 1.786 3 0 0 -3.93381550171275 1473522 C1CN(CCN1CC2=CN=C(C=C2)Cl)C3=CC=CC=C3 1 3.256 3 0 5.77162813388181 1473502 CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC=C2[N+](=O)[O-])C(=O)OC 1 3.175 1 6 0 -11.4328988871773 1473500 C1=CC=C2C(=C1)C(=O)C(=CO2)/C=C(\C#N)/C(=S)N 1 1.525 2 2 0 -5.55040530633054 1473493 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CSC(=N3)C4=CC(=CC=C4)F 1 3.495 2 2 0.614822347988847 1473492 CC1=CC=C(C=C1)C2=NC(=CS2)CCN3C(=O)C4=CC=CC=C4C3=O 1 3.776 2 2 -1.36055083080247 1473491 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CSC(=N3)C4=CC(=CC=C4)Cl 1 3.954 2 2 0.901369881335358 1473490 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CSC(=N3)C4=CC=C(C=C4)F 1 3.495 2 2 -0.648673805337215 1473461 CC1=NC(=CS1)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.625 2 2 0 -5.75885924468163 1473457 C1=CC=C2C(=C1)C(=NO2)CC3=NNC(=S)N3C4=CC=C(C=C4)Cl 1 4.46 4 1 -3.31323861245568 1473456 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)CC4=NC(=CS4)O 1 4.869 2 1 4.7574888302016 1473454 C1=CC=C(C=C1)N2C(=NNC2=S)CC3=NOC4=CC=CC=C43 1 3.795 4 1 -5.56495349519713 1473451 CCN1C2=NC=C(C(=C2C(=N1)C)NCCN3CCOCC3)C(=O)OCC 1 1.198 5 3 0 -10.4658205198764 1473448 CCN1C2=NC=C(C(=C2C(=N1)C)NC3CC3)C(=O)OCC 1 1.862 4 2 0 -8.64268694265851 1473447 CCN1C2=NC=C(C(=C2C(=N1)C)Cl)C(=O)OCC 1 2.228 3 2 -5.77493503551579 1473446 CCN(CC1=CC=CC=C1)C2=C3C=NN(C3=NC=C2C(=O)O)C 1 2.452 4 2 -4.98988561386919 1473443 CC1=NN(C(=O)N1C2=CC=CC=C2)CC#N 1 0.928 4 1 0 -6.37037302302776 1473442 CCOC(=O)CN1C(=O)N(C(=N1)C)C2=CC=CC=C2 1 1.254 3 3 0 -9.13485386163536 1473436 CC1=CC=C(C=C1)N2C(=NN(C2=O)CC3CC3)C 1 2.504 3 1 -4.54397384308406 1473435 CCOC(=O)CN1C(=O)N(C(=N1)C)C2=CC=C(C=C2)C 1 1.74 3 3 0 -9.06184726082693 1473425 CC1=NN(C(=O)N1C2=CC=C(C=C2)C(C)C)CC3CC3 1 3.212 3 1 -4.07221755209862 1473420 COC1=CC=C(C=C1)C2=C(C(=C3N2CCC3)C(=O)O)C(=O)O 1 2.583 1 5 -0.745463267085134 1473419 C1CC2=C(C(=C(N2C1)C3=CC=C(C=C3)F)C(=O)O)C(=O)O 1 2.805 1 4 0.379379967524257 1473412 CC1=CC=C(C=C1)C2=C(C(=C3N2CCC3)C(=O)O)C(=O)O 1 3.086 1 4 -0.332497057940994 1473410 COC1=CC=C(C=C1)C2=C(C(=C3N2CCC3)C(=O)OC)C(=O)OC 1 3.034 1 5 -3.32729166452382 1473408 CC1=CC=C(C=C1)C2=C(C(=C3N2CCC3)C(=O)OC)C(=O)OC 1 3.537 1 4 -3.08309830428912 1473406 COC(=O)C1=C2CCCN2C(=C1C(=O)OC)C3=CC=CC=C3 1 3.051 1 4 -3.55761472060432 1473390 COC1=CC=CC(=C1)C2=NOC(=N2)C3=CN=C(C=C3)Cl 1 2.851 3 2 6.92823656651306 1473387 C1=CC2=NC(=NC(=O)N2C=C1)SCC3=CC(=CC=C3)C(F)(F)F 1 4.104 3 1 -5.45873931340792 1473386 CCOC(=O)CSC1=NC(=O)N2C=CC=CC2=N1 1 1.634 3 3 0 -14.7530933286359 1473379 CC1=CC=C(C=C1)C(=O)NC2=C[N+](=C(C=C2)OC)[O-] 1 1.628 2 3 0 -4.57908380487244 1473378 CN1C2=C(C=C(C=C2)Cl)N=C1C3=CN=C(C=C3)Cl 1 3.863 3 0 4.83787919501229 1473377 C=CCN1C(=NN=N1)C2=CC(=CC=C2)Cl 1 2.346 4 0 -8.06919634844997 1473373 CNC(=O)C1=CC2=C(S1)C=C(C=N2)C(F)(F)F 1 2.411 2 1 -1.70789915862332 1473367 C1=CC=C(C=C1)OC2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F 1 5.473 2 1 1.88498141778831 1473365 CC1=C(C(=NN1C)C)C=NO 1 0.734 3 1 0 3.5149246319217 1473361 CC1=C(C(=O)C2=CC=CC=C2C1=O)CC(=O)C3=CC=C(C=C3)Cl 1 4.267 0 3 2.56158855116051 1473358 CC1=C(C(=O)C2=CC=CC=C2C1=O)CC(=O)C3=CC=CC=C3 1 3.603 0 3 -0.224470703948058 1473355 CC1=CC(=NN1)C2=C(NN(C2=O)C3=CC=C(C=C3)Cl)C 1 2.173 4 1 -3.0792103568624 1473345 CC1=CC2=C(O1)CC(CC2=O)(C)C 1 1.928 0 2 0 -9.06575301155822 1473341 C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N4C2=NN=C4 1 2.699 5 0 -7.54846846605226e-002 1473340 C1C2CC3CC1CC(C2)C34NC(=O)N(N4)C5=CC=CC=C5 1 2.626 3 1 1.4511335846761 1473338 CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC(=CC=C3)C(F)(F)F)C(=CC(=O)C)O 1 2.519 3 3 4.52202716761878 1473336 C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC=CC=C4N5C3=NN=C5 1 2.951 6 0 7.57518092748748 1473329 COC1=CC=C(C=C1)C(=O)N/C(=C/NC2=C(C=C(C=C2)Cl)Cl)/C(=O)OC 1 3.295 2 4 -6.27714160314588 1473320 C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NN=C4 1 2.692 5 0 3.72016465560916 1473313 C1CCC2(CC1)NC(=O)N(N2)C3=CC=CC=C3 1 1.969 3 1 0 -0.911952672964002 1473309 COC1=CC=C(C=C1)N/C=C(\C(=O)OC)/NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.295 2 4 -3.67225967216272 1473304 C=CCN1C(=NNC1=S)C2=CC=CN(C2=O)CC3=CC(=CC=C3)Cl 1 2.978 4 1 -8.90720644083072 1473302 C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CN(C3=O)CC4=CC(=CC=C4)Cl 1 3.938 4 1 -4.85340219305353 1473299 CNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=CC(=CC=C2)Cl 1 1.679 4 2 0 -8.59324963855792 1473298 C1=CC=C(C=C1)CN2C=CC=C(C2=O)C3=NN=C(O3)SCC4=CC=C(C=C4)Cl 1 4.056 3 2 -8.8569535458806 1473297 CSC1=NN=C(O1)C2=CC=CN(C2=O)CC3=CC=CC=C3 1 1.808 3 2 0 -6.53081199891682 1473292 C1=CC=C(C=C1)SC2=NC(=NC(=C2)C(F)(F)F)C3=CC=CC=N3 1 4.977 3 0 4.9710177174033 1473271 C1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)O)CC(=O)O)C(F)(F)F 1 2.545 3 4 0 -5.37098307894895 1473264 CN(C)C(=O)C1=CC(=CN1)C(=O)C2=C(C=CC=C2F)F 1 2.444 2 2 -3.91926387708408 1473263 CN(C)C(=O)C1=CC(=CN1)C(=O)C2=CC=CC=C2F 1 2.238 2 2 -3.87874629038243 1473261 CN(C)C(=O)C1=CC(=CN1)C(=O)C2=C(C=C(C=C2)F)F 1 2.444 2 2 -0.574593994224635 1473260 CN(C)C(=O)C1=CC(=CN1)C(=O)C2=CC=CC=C2Cl 1 2.697 2 2 -3.54155334048207 1473254 C1=CC=C2C(=C1)N=CC(=N2)OC3=CC=CC=C3[N+](=O)[O-] 1 3.287 3 3 -0.884197244777116 1473245 C1=CC=C2C(=C1)N=CC(=N2)OC3=CC=C(C=C3)NC(=O)CCl 1 3.046 3 2 -2.1351850219048 1473240 C1CN(CCN1C2=CC=CC=C2)C3=NN4C(=CC=NC4=N3)C5=CC=C(C=C5)N6C=CN=C6 1 3.549 8 0 0 4.07303367335786 1473229 C1CN(CCN1C2=CC=CC=C2)C3=NN4C(=CC=NC4=N3)C5=CC=C(C=C5)F 1 4.085 6 0 4.92125648157637 1473228 COC1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)N4CCN(CC4)C5=CC=CC=C5 1 3.863 6 1 0 3.79641324696698 1473227 C1CN(CCN1C2=CC=CC=C2)C3=NN4C(=CC=NC4=N3)C5=CC=CC=C5 1 3.88 6 0 3.44183157774767 1473220 CC1(CC2=C(C=NC3=NC(=NN23)SC)C(=O)C1)C 1 2.29 4 1 -10.7694791664304 1473217 C1COCCN1C2=NN3C(=CC=NC3=N2)C4=CC(=C(C=C4)Cl)Cl 1 3.267 5 1 0.314247059861057 1473211 C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NNC3=CC=CC=C3 1 3.426 3 2 -1.94457219316586 1473210 C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NNC3=NC(=CC=C3)Cl 1 3.051 4 2 -3.05672517063881 1473208 CC(=O)NC1=CC(=CC=C1)OC2=NC3=CC=CC=C3N=C2 1 2.513 3 2 -1.11100979680551 1473207 CC(=O)NC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2 1 2.513 3 2 -1.34368083852222 1473206 C1=CC=C(C(=C1)OC2=C(C=C(C=C2)C=NO)[N+](=O)[O-])Cl 1 3.775 2 4 2.09565844484234 1473205 C1=CC(=NC(=C1)Cl)NNC(=O)C2=CC(=CN2)C(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.38 4 2 1.01759763235968 1473204 C1=CC(=NC(=C1)Cl)NNC(=O)C2=CC(=CN2)C(=O)C3=CC=C(C=C3)Cl 1 3.715 4 2 -1.15781368753634 1473203 C1=CC=C(C(=C1)NN2C=NC3=NN=CC3=C2N)F 1 1.019 6 0 0 -2.25982864366605 1473200 C1=CC(=C(C=C1Cl)Cl)NN2C=NC3=NN=CC3=C2N 1 2.143 6 0 0.44402937226458 1473195 C1=CC=C(C=C1)NNC(=O)C2=CC(=CN2)C(=O)C3=CC=C(C=C3)Cl 1 4.09 3 2 0.966105526978544 1473194 CN(C)C(=O)C1=CC(=CN1)C(=O)CC2=CC=CC=C2 1 2.068 2 2 -3.8651900104966 1473179 CN(C)/C=C/C1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C#N 1 3.28 3 1 -3.3894376704902 1473168 CN(C)C1=NC(=NC=C1C2=CC=C(C=C2)OC3=CC=CC=C3)N 1 2.985 4 1 2.450422477151 1473148 CN(C)C1=NN(C=C1C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 4.378 4 1 3.47697166515572 1473146 CN(C)C1=NN(C=C1C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Cl)Cl 1 4.765 4 1 1.39373720864218 1473137 COC(C1=CC=C(C(=O)N1)C#N)OC 1 -0.382 2 3 0 -10.1325360550375 1473128 CC(C)(C)C1=C(C=NN1)[N+](=O)[O-] 1 1.86 3 2 0 -2.05837527290217 1473107 C1=CC2=C(C=C1CC(=O)O)N=CO2 1 1.02 1 3 0 -5.41531934054348 1473106 CC1=CC(=NC(=N1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)F)C(F)(F)F 1 4.022 5 1 -2.83436443207331 1473102 CN1C2=C(C=N1)C(=NC=N2)N3CCC(CC3)CC4=CC=CC=C4 1 2.838 5 0 6.88076216850765 1473079 CC(=O)N1CCN(CC1)CC2=CN=C(C=C2)Cl 1 0.843 3 1 0 -1.6430693576429 1473045 CNC1=NC(=CS1)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.242 3 2 0 -6.83540276408486 1473044 CC(=O)NC1=NC(=CS1)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.026 3 3 0 -8.55108114980638 1473036 CC(C)CC(=O)N1CCC(CC1)(CS(=O)(=O)CC2=CC=C(C=C2)Cl)O 1 2.089 1 4 -5.35538751596726 1473035 COC1=CC=C(C=C1)S(=O)(=O)N2CCOC3=CC=CC=C32 1 2.309 1 4 -10.9077793073918 1473019 CC1=NC2=C(C=C(C=C2)NC(=S)NC)N=C1C 1 2.541 4 0 -8.50045263197634 1473016 CC1=NN(C(=O)C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.202 2 5 0 -7.08049350135342 1473015 C1=CC(=C(N=C1)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F)N 1 3.302 4 0 -1.56088353047087 1473014 C1CCC2=C(C1)C(=O)C=CN2CCC3=CNC4=CC=CC=C43 1 3.651 2 1 -7.81989823985289 1473012 CC1=NC2=C(O1)C=C(C=C2)NC(=O)C(F)(F)F 1 1.825 2 2 0 -4.81579562217342 1473007 CC(=NOC(=O)C1=CC=C(C=C1)OC)C2=NC=CN=C2 1 1.235 3 3 0 -3.5336597261297 1473006 CC1=C(C=C2C=C(C=C(C2=N1)Br)Br)OC 1 3.779 1 1 2.79296603197932 1473005 CC1=CC=CC=C1S(=O)(=O)C2=CC3=CC=CC=C3N=C2N 1 3.397 2 2 -3.92967510748378 1473004 C1=CC=C2C(=C1)C=CC(=N2)C3=NC=CS3 1 2.825 2 0 2.42243250083842 1472997 CC1=NC2=C(O1)C=C(C=C2)NC(=S)NC 1 2.298 3 1 -9.14359630996987 1472994 CC1=NC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F 1 3.343 2 2 -3.06792278641282 1472987 CC1=C(N(C=CC1=O)C2=CC(=CC=C2)SC)C 1 3.059 1 1 -0.202521065762112 1472982 CC1=C(C(=NN2C1=NN=C2)C)CC3=CC=C(C=C3)Cl 1 3.565 4 0 -1.71762942009974 1472978 C1CCC2=NC3=C(C=CC=N3)C(=O)N2CC1 1 1.591 3 1 0 -6.45646995673343 1472977 C1COCCN1C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4C=C3)Br)Br 1 5.309 2 1 6.54367866278356 1472976 C1COCCN1C2=CC=C(C=C2)C3=NC4=CC=CC=C4C=C3 1 3.813 2 1 4.76960413948096 1472973 CC1=C(C=C2C=C(C=C(C2=N1)Br)Br)O 1 3.553 1 1 5.57391151967396 1472972 CC1=C(C(=NC2=CC3=C(C=C12)OCO3)C(=O)OC)C(=O)OC 1 2.409 1 6 0 -4.69909658756535 1472971 COC(=O)C1=C(N(N=N1)C2=C(SC=C2)C(=O)OC)C(=O)OC 1 1.828 3 6 0 -13.4340716864411 1472962 C1=CC=C2C(=C1)C=CC(=N2)C3=CC=C(C=C3)N4C=CN=C4 1 3.632 3 0 5.42458890921255 1472960 C1=CC=C(C(=C1)NC(=O)NC2=CC=CC(=C2)C3=CN4C=CC=NC4=N3)F 1 3.03 5 1 -1.92484633044167 1472950 CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)CCO 1 0.319 2 4 0 -6.03822390323079 1472949 CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)Cl)CCO 1 2.018 2 2 -2.99583698620285 1472948 CC1=NC2=C(C=CC=C2C(F)(F)F)C3=C1CCS3 1 3.857 1 0 -0.211874310535152 1472945 C1=CC=C(C(=C1)/C=C\2/C(=O)N=C(S2)NO)N3C=CC=N3 1 2.236 4 2 -2.00878723373984 1472941 CCN1C(=C(N=C(CC1(C)C)C)C#N)C#N 1 0.781 4 0 0 -3.47001009965073 1472930 CC1=CN2C(=NC(=N2)SC)N=C1C3=CC(=C(C=C3)OC)F 1 3.925 4 1 1.42620732625205 1472915 CC1=NC(=C(NC(C1)(C)C)C#N)C#N 1 -0.104 4 0 0 -6.35614602362535 1472910 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC3=NC=CC=N3 1 3.403 3 2 -5.49551759627554 1472905 CC1=NN(C(=C1NC(=O)OCC2=CC=C(C=C2)F)Cl)C 1 2.774 3 2 -0.604117194370956 1472904 CC1=NN(C(=C1NC(=O)OCC2=CC=CC=C2)Cl)C 1 2.568 3 2 -2.1308091246158 1472892 C1=CC=C(C(=C1)CCC2=CN=C(S2)Cl)[N+](=O)[O-] 1 3.356 2 2 -3.85019550600148 1472891 C1CC2(CCC13N(CCO3)C(=O)NC4=CC=C(C=C4)Cl)OCCO2 1 1.485 2 4 0 -4.24790939320191 1472890 C1CCC2(CC1)N(CCO2)C(=O)NC3=CC=C(C=C3)Cl 1 2.994 2 2 -3.09763610115169 1472888 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCOC34CCCCC4 1 3.632 2 3 -7.76416478945804 1472881 COC(=O)C(CC1=CN=C(S1)Cl)(C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)OC 1 3.495 2 6 0 1.77819439664772 1472879 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4C=CC=C4 1 3.661 3 1 -0.97709451145166 1472878 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=C3 1 2.077 3 1 -1.95563171023358 1472877 C1CC1NC(=O)C2=CC=C(C=C2)N3C=CC=C3 1 2.404 2 1 -6.44911495266215 1472874 C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=C3 1 3.037 2 1 -4.71266808510234 1472873 C1COCCN1C(=O)C2=CC=C(C=C2)N3C=CC=C3 1 1.807 2 2 0 -6.28096453487793 1472871 CCCC(=O)NC1=CC=C(C=C1)C#CC2=CC=CC=C2 1 4.182 1 1 -5.85081755578478 1472870 CC1=CC=C(N1C2=C(C=NN2C3=CC=CC=C3)C(=O)NN)C 1 1.858 5 1 0 -5.09721880338085 1472858 C1=CC(=CC=C1C2=C3N=CC=C(N3N=C2)C4=CC=NC=C4)Cl 1 3.082 4 0 1.08370831816987 1472857 C1=CSC(=C1)C2=CC=NC3=C(C=NN23)C4=CC=C(C=C4)F 1 3.727 3 0 -2.12950045939503 1472856 C1=CC(=CC=C1C2=C3N=CC=C(N3N=C2)C4=CC=NC=C4)F 1 2.623 4 0 -2.64133469516994e-002 1472852 CC1=NN2C(=CC=NC2=C1Cl)C3=CC=NC=C3 1 1.846 4 0 0 0.397860066873595 1472851 COC(=O)CC1=C(N=C(S1)C2=CC=CC=N2)C3=CC=CC=C3 1 3.617 2 2 0.581220190617409 1472850 CCOC(=O)C1=CSC(=N1)N2C(=CC(=N2)C)C(F)(F)F 1 3.202 3 2 -7.94592814828968 1472848 C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=C(C=C3)C(=O)O)CC(=O)O 1 3.743 1 4 2.62978661172238 1472847 COC1=CC=CC=C1C2=CC(=C(C(=O)N2)C#N)C(F)(F)F 1 2.149 2 2 -3.92587280733783 1472845 CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3F)C(F)(F)F 1 4.644 3 2 -3.45294267410732 1472842 CC1=NN2C(=CC=NC2=C1)C3=CC=NC=C3 1 1.182 4 0 0 -1.37539597950155 1472841 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CC1=NC2=NC(=CN2C(=C1)N3CCOCC3)C4=CC=CC=C4 1 2.804 4 1 -0.235442380826428 1472734 CC1=NC2=NC(=CN2C(=C1)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5 1 4.745 5 0 4.21025016171322 1472733 CC1=NN=C(N1CC2=CC(=CC=C2)Cl)C3=C(N(N=C3)C)N 1 1.861 6 0 0 -4.16048472234294 1472730 CC1=CC=C(C=C1)C2=C3CCCCC3=C4C5=C(C(=NC=N5)N)SC4=N2 1 5.328 4 0 -0.961151541220203 1472728 CC1=NN=C(N1CC2=CC=C(C=C2)OC)C3=C(N(N=C3)C)N 1 1.18 6 1 0 -6.54753866755808 1472727 CC1=NN=C(N1CCCN(C)C)C2=C(N(N=C2)C)N 1 -0.186 7 0 0 -6.03328168089684 1472700 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)NCC4=CC=CC=C4 1 2.815 2 4 -10.3854158266812 1472697 CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=N2)SCC(=O)OC)C#N 1 5.292 2 2 -12.0402296095832 1472695 CC1=NN=C(N1CC2=CC(=CC=C2)C(F)(F)F)C3=C(N(N=C3)C4=CC=CC=C4)N 1 3.715 6 0 -2.53361680706566 1472691 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)/C=C/C(=O)O 1 0.603 1 5 0 -1.25991411729399 1472689 CC1=NN=C(N1CC2=CC=NC=C2)C3=C(N(N=C3)C4=CC=CC=C4)N 1 1.622 7 0 0 -6.03825630357505 1472687 CC1=NN=C(N1CC2=CC=C(C=C2)F)C3=C(N(N=C3)C4=CC=CC=C4)N 1 2.979 6 0 -4.80237482733377 1472681 C1C(=O)NC2=C(O1)C=CC(=C2)C3=NNC(=O)C4=CC=CC=C43 1 1.288 3 3 0 -6.17003047794803 1472680 CC1=NN=C(N1CC2=CC=CC=C2)C3=C(N(N=C3)C4=CC=CC=C4)N 1 2.773 6 0 -6.62209821962686 1472670 C1=CC(=CC(=C1)F)C2=CSC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F 1 4.069 3 2 3.32811701191731 1472667 CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC(=CC=C3)F)C(F)(F)F 1 4.644 3 2 1.19372331391778 1472663 CC1=NC2=C(C=NN2C(=C1C3=CC=CC=C3)N)C4=CC=C(C=C4)F 1 3.42 4 0 -1.06371993089442 1472656 CC1=CC(=NC2=C(C=NN12)S(=O)(=O)C3=CC=CC=C3)C 1 1.77 3 2 0 -14.8642618675917 1472653 C1CN(CCC1C(=O)NNC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.125 3 4 0 -16.0248978815424 1472641 COC1=CC=C(C=C1)CC2=NC(=CS2)C(=O)N3CCCCC3 1 2.988 2 2 -9.11341794988541 1472640 COC1=CC=C(C=C1)CC2=NC(=CS2)C(=O)NCC3=CC=CC=C3OC 1 3.432 2 3 -12.0634983904981 1472636 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)F)C(F)(F)F 1 4.361 2 1 -1.98606555072982 1472633 CCOC(=O)CC1=NC(=NO1)C2=CC(=CC=C2)C(F)(F)F 1 2.808 2 3 2.72304699572382 1472630 C1CCN(CC1)C(=O)C2=CSC(=N2)CC3=CC=C(C=C3)Cl 1 3.669 2 1 -6.87845305015445 1472629 COC1=CC=CC=C1CNC(=O)C2=CSC(=N2)CC3=CC=C(C=C3)Cl 1 4.113 2 2 -9.99730633967662 1472628 COC1=CC=C(C=C1)CNC(=O)C2=CSC(=N2)CC3=CC=C(C=C3)Cl 1 4.113 2 2 -8.29974848671754 1472622 C1COCCN1C(=O)C2=CSC(=N2)CC3=CC=C(C=C3)Cl 1 2.44 2 2 -8.44674949993005 1472618 COC1=CC=C(C=C1)CC2=NC(=CS2)C(=O)NCC3=CC=C(C=C3)OC 1 3.432 2 3 -10.9480661195219 1472612 COC1=CC=C(C=C1)CC2=NC(=CS2)C(=O)N3CCOCC3 1 1.759 2 3 0 -10.681714399661 1472611 COC1=CC=C(C=C1)CC2=NC(=CS2)C(=O)NC3=CC=CC=C3 1 3.442 2 2 -6.59029256261142 1472610 COC1=CC=C(C=C1)CC2=NC(=CS2)C(=O)NC3=CC=C(C=C3)F 1 3.647 2 2 -5.72176139877282 1472604 COC1=CN=C(N=C1OC)C2=CC(=CC=C2)C(F)(F)F 1 3.119 2 2 9.41865385241061 1472601 COC1=CC=C(C=C1)CC2=NC(=CS2)C(=O)NC3=CC=C(C=C3)Cl 1 4.106 2 2 -4.61163973365125 1472600 C1=CC=C(C=C1)CC2=NC(=CS2)C(=O)NC3=CC=C(C=C3)Cl 1 4.122 2 1 -5.01348842928671 1472599 COC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)CC3=CC=C(C=C3)Cl 1 4.106 2 2 -4.61163973365125 1472598 COC1=CC=C(C=C1)CC2=NC(=CS2)C(=O)NC3=CC=C(C=C3)OC 1 3.425 2 3 -7.25995736645562 1472596 C1CN(CCC1C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 1.369 3 5 0 -16.6812483198573 1472595 C1CN(CCC1C(=O)NNS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.163 3 5 0 -17.6916456932915 1472594 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.314 3 5 0 -14.147318421251 1472593 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.136 3 5 0 -16.7956360540553 1472589 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 2.152 3 4 0 -16.3393719791546 1472588 CC1=CC=C(C=C1)C(=O)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.433 3 4 0 -17.8775679468374 1472586 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)C3=CC=C(C=C3)OC 1 1.93 3 5 0 -17.464215213764 1472585 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)C3=CC=CC=C3 1 1.946 3 4 0 -17.8468965721292 1472580 C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)C4=CC=CC=C4S3 1 4.767 2 1 -7.40987808277463 1472569 CC1=C(N2C=CC=CC2=N1)C(=O)CSC3=C(C=C(C=C3)Cl)Cl 1 4.408 2 1 -2.10093882235895 1472568 CC1=C(N2C=CC=CC2=N1)C(=O)CSC3=CC=CC=C3Cl 1 3.743 2 1 -5.46373708214959 1472567 CC1=C(N2C=CC=CC2=N1)C(=O)CSC3=CC(=CC=C3)Cl 1 3.743 2 1 -1.3864009574688 1472566 CC1=C(C=CC(=C1)Cl)OC2=NC(=NC=C2OC)C3=CC=CC=C3 1 4.904 2 2 10.3208008844474 1472565 CC1=CC(=CC=C1)OC2=NC(=NC=C2OC)C3=CC=CC=C3 1 4.24 2 2 9.28909971554414 1472564 CC1=CC=CC=C1OC2=NC(=NC=C2OC)C3=CC=CC=C3 1 4.24 2 2 6.39457026441807 1472562 CC1=C(N2C=CC=CC2=N1)C(=O)CSC3=CC=CC=C3 1 3.079 2 1 -3.24368166817826 1472561 CC1=CC=C(C=C1)SCC(=O)C2=C(N=C3N2C=CC=C3)C 1 3.565 2 1 -2.34040004018354 1472559 CC(C)(C)C1=CC=C(C=C1)OC2=NC(=NC=C2OC)C3=CC=CC=C3 1 5.154 2 2 10.5665459105233 1472558 CC1=C(C(=CC=C1)OC2=NC(=NC=C2OC)C3=CC=CC=C3)C 1 4.726 2 2 8.30344308814711 1472493 CN1C(=O)C=C(C(=N1)C2=CC=CC=C2)N3CCCCC3 1 2.341 3 1 -1.62534673139394 1472492 C1CCN(CC1)C2=CC(=O)N(N=C2C3=CC=CC=C3)CC4=CC(=CC=C4)F 1 4.13 3 1 1.02431695717608 1472489 C1CC2=CC(=O)N(N=C2C3=CC=CC=C31)CC4=CC=CC=C4 1 3.797 2 1 -1.39473278590032 1472488 C=CCN1C(=O)C=C(C(=N1)C2=CC=CC=C2)N3CCCCC3 1 2.958 3 1 -5.402415791391 1472487 C1CCN(CC1)C2=CC(=O)N(N=C2C3=CC=CC=C3)CC4=CC=C(C=C4)F 1 4.13 3 1 0.390809138431084 1472484 COC1=CC=C(C=C1)CN2C(=O)C=C(C(=N2)C3=CC=CC=C3)N4CCCCC4 1 3.908 3 2 -0.734034096178307 1472483 C1CCN(CC1)C2=CC(=O)N(N=C2C3=CC=CC=C3)CC4=CC=CC=C4Cl 1 4.589 3 1 -0.670635495944975 1472482 C1CCN(CC1)C2=CC(=O)N(N=C2C3=CC=CC=C3)CC4=CC(=CC=C4)Cl 1 4.589 3 1 1.57915908067754 1472480 C1CCN(CC1)C2=CC(=O)N(N=C2C3=CC=CC=C3)CC4=CC=C(C=C4)Cl 1 4.589 3 1 1.50093080355265 1472479 C1CN(CCC12CO2)S(=O)(=O)C3=CC=CC=C3 1 0.463 1 3 0 -15.3197161382638 1472478 C1CCN(CC1)C2=CC(=O)N(N=C2C3=CC=CC=C3)CC4=CC=CC=C4 1 3.925 3 1 -1.42891425386201 1472475 C1=CC=C(C=C1)C2=NN(C(=O)C=C2Cl)CC3=CC=C(C=C3)Cl 1 4.27 2 1 2.32018318356258 1472474 C1=CC=C(C=C1)C(=O)OC2=NN(C(=O)C=C2)C3=CC=CC=C3 1 3.129 2 3 -6.06325936652531 1472473 C1=CC=C(C=C1)N2C(=O)C=CC(=N2)OC(=O)C3=CC=C(C=C3)Cl 1 3.794 2 3 -3.1525816463809 1472472 C1=CC=C(C=C1)N2C(=O)C=CC(=N2)OC(=O)C3=CC(=CC=C3)Cl 1 3.794 2 3 -3.38768598969658 1472470 COC1=CC=C(C=C1)C(=O)OC2=NN(C(=O)C=C2)C3=CC=CC=C3 1 3.113 2 4 -5.31650359747681 1472468 CC1=C(C=CC(=C1)Cl)OC2=NC=C(C=N2)C3=CC=C(C=C3)Cl 1 5.465 2 1 7.55409946583118 1472463 C1=CC=C(C=C1)N2C(=O)C=CC(=N2)OC(=O)C3=CC=C(C=C3)F 1 3.335 2 3 -4.26270331150247 1472462 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(C3=C(S2)N=C(C=C3C)C)N4C=CC=C4 1 3.907 4 3 0 -10.5031753152705 1472461 CC1=CC(=NC2=C1C(=C(S2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Cl)N4C=CC=C4)C 1 4.085 4 3 0 -8.49288003034989 1472460 CC1=CC(=NC2=C1C(=C(S2)C(=O)NNS(=O)(=O)C3=CC=CC=C3)N4C=CC=C4)C 1 3.421 4 3 0 -11.3082825866977 1472459 CC1=CC(=NC2=C1C(=C(S2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)F)N4C=CC=C4)C 1 3.626 4 3 0 -9.60300169547146 1472458 CC1=CC(=NC2=C1C(=C(S2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Br)N4C=CC=C4)C 1 4.169 4 3 0 -9.94953977545133 1472456 CC1=CC=C(C=C1)NC(=O)NNC(=O)C2=C(N=NS2)C 1 1.384 5 2 0 -12.1457010310606 1472454 CC1=CC(=CC=C1)OC2=NC=C(C=N2)C3=CC=C(C=C3)Cl 1 4.801 2 1 7.33340725909963 1472451 CC1=C(C(=CC=C1)OC2=NC=C(C=N2)C3=CC=C(C=C3)Cl)C 1 5.287 2 1 7.62345015919934 1472449 C1=CC=C(C=C1)OC2=NC=C(C=N2)C3=CC=C(C=C3)Cl 1 4.315 2 1 5.44709106647385 1472448 CC1=C(C(=NC2=NC=NN12)C)CC3=C(C=CC=C3Cl)Cl 1 4.109 4 0 -12.2682681935909 1472438 CC1=C(C(=NC2=NC=NN12)C)CC3=CC(=CC=C3)F 1 2.985 4 0 -10.7276175666593 1472429 CC1=C(N=NN1C2=CC(=CC(=C2)Cl)Cl)[N+](=O)[O-] 1 3.496 4 2 -0.142226232159113 1472422 CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC 1 2.239 4 3 0 -7.86576169350133 1472420 CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)N3CCN(CC3)C 1 0.97 5 1 0 -3.12802157810133 1472419 CC1=C(C(=O)N(N1)C2=CC(=CC(=C2)Cl)Cl)CC(=O)OC 1 2.191 2 3 -7.04730661076221 1472415 COC1=C(C(=O)N(C=C1)CCC2=CNC3=CC=CC=C32)CC(=O)OC 1 1.618 2 4 0 -9.49089905143529 1472414 COC1=CC=CC=C1CN2C=CC(=O)C(=C2O)CC(=O)OC 1 1.742 1 5 0 -9.28906095023266 1472407 CC1=C(C=C(C=C1)NC(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl 1 4.684 2 1 8.04330157981852e-002 1472406 CC1=C(CC(=O)N1CC2=CC(=C(C=C2)OC)OC)C(=O)OC 1 1.329 1 5 0 -12.1795990110028 1472403 C1=CC(=C(C(=C1)Cl)COC2=CC=C(C=C2)C3=NC(=NC=C3)N)F 1 4.209 3 1 0.534919287279195 1472397 CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)CN2CCS(=O)(=O)CC2 1 1.842 3 3 0 -6.32989003374473 1472396 C1CS(=O)(=O)CCN1CC(=O)NN=CC2=CC(=CC=C2)C(F)(F)F 1 1.384 3 3 0 -4.25597343379637 1472387 COC1=CC=C(C=C1)C=NNC(=O)CN2CCS(=O)(=O)CC2 1 0.425 3 4 0 -9.32099039200018 1472386 CC1=CC(=NC2=C1C(=NN2)N3C=CC=C3)C 1 2.706 4 0 -2.46603037713384 1472385 C1=CC(=NN2C1=NN=C2C(F)F)Cl 1 1.586 4 0 0 -5.63742952758453 1472358 C1CS(=O)(=O)CCN1OCC2=CC=C(C=C2)Cl 1 1.429 1 3 0 -2.33037951888024 1472345 C1CS(=O)(=O)CCN1OCC2=C(C=C(C=C2)F)Cl 1 1.634 1 3 0 -2.06558305957938 1472344 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=N2)N 1 2.06 2 2 -8.06051022140692 1472343 CC1=C(C(=NN1C)C)C(=O)NN 1 -0.582 4 1 0 -3.41334828590814 1472291 C1=CC=C2C(=C1)C=C(C=N2)/C=C/C(=O)O 1 2.113 1 2 2.2179703685023 1472302 C1=CC2=C(N(C(=S)N=C2C=C1)C3=CC=C(C=C3)Cl)N 1 4.247 3 0 -1.3915150348071 1472329 CC1=CC=C(C=C1)S(=O)(=O)C2=NC=C(C=C2)[N+](=O)[O-] 1 2.701 2 4 -7.25938872845545 1472270 CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)O 1 3.185 0 4 -6.57965008218162 1472265 CC1=CC(=NC2=CC(=NN12)C3=C(C=CS3)N4C=CC=C4)C 1 3.444 4 0 -10.0530780792702 1472255 CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=N2)C3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)F 1 6.501 2 3 -2.43043069844901 1472225 CC1=CC=C(C=C1)CS(=O)/C(=C(\C(=O)NC2=CN=C(C=C2)OC)/Cl)/Cl 1 3.294 2 3 -4.39930216819521e-002 1472222 COC1=CC=C(C=C1)CS(=O)/C(=C(\C(=O)NC2=CN=C(C=C2)OC)/Cl)/Cl 1 2.792 2 4 -0.288186381916656 1472220 COC1=NC=C(C=C1)NC(=O)/C(=C(\S(=O)CC2=CC=C(C=C2)Cl)/Cl)/Cl 1 3.472 2 3 1.38106845860793 1472218 COC1=NC=C(C=C1)NC(=O)/C(=C(\S(=O)(=O)CC2=CC=CC=C2)/Cl)/Cl 1 2.904 2 4 -7.50282168741432 1472216 COC1=NC=C(C=C1)NC(=O)/C(=C(\S(=O)CC2=CC=CC=C2)/Cl)/Cl 1 2.808 2 3 -0.858807926461549 1472207 CCOC(=O)CN1C(=O)CCC(=N1)/C=C/C2=CC=CC=C2 1 1.769 2 3 0 -7.66851517250163 1472205 C1=CC=NC(=C1)N(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.058 2 4 -9.75425059171005 1472191 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=N2 1 1.377 2 5 0 -11.989215491441 1472190 C=CCN1C(=O)CCC(=N1)/C=C/C2=CC=CC=C2 1 2.33 2 1 -6.75843251741235 1472188 CN1C(=O)CCC(=N1)/C=C/C2=CC=CC=C2 1 1.713 2 1 0 -6.05794127855161 1472186 C1CC(=O)N(N=C1/C=C/C2=CC=CC=C2)CC3=CC=CC=C3 1 3.297 2 1 -2.69891161067919 1472184 C1CC(=O)NN=C1/C=C/C2=CC=CC=C2 1 1.507 2 1 0 -6.99664594847186 1472182 C1=CC=C(C=C1)/C=C/C(=O)CCC(=O)O 1 1.873 0 3 0 -4.06549656455536 1472180 C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=N2 1 1.393 2 4 0 -12.6406719185454 1472076 C1CCN(CC1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.829 2 5 0 -11.2919931508046 1472074 C1=CC(=CN=C1)NC(=O)CC(=O)NC2=CN=CC=C2 1 -0.386 4 2 0 -3.78584700028985 1472071 C1C2=C(C(=C(N2CS1)C3=CC(=C(C=C3)Cl)Cl)C(=O)O)C(=O)O 1 3.955 1 4 0.40487489810647 1472066 C1CCC(CC1)N2C(=O)C=C(NC2=O)C(F)(F)F 1 2.224 2 2 -3.87299598703778 1472063 CC1=CC=C(C=C1)C2=C(C(=C3N2CSC3)C(=O)O)C(=O)O 1 3.112 1 4 -0.259614358818989 1472062 C1C2=C(C(=C(N2CS1)C3=CC=C(C=C3)Br)C(=O)O)C(=O)O 1 3.375 1 4 0.105724586666391 1472061 CC(C)(C)C1=CC=C(C=C1)C2=C(C(=C3N2CSC3)C(=O)O)C(=O)O 1 4.026 1 4 2.31851979029232 1472046 COC(=O)C1=C2CS(=O)CN2C(=C1C(=O)OC)C3=CC=C(C=C3)Br 1 2.714 1 5 -3.18344449234269 1472044 COC(=O)C1=C2CS(=O)(=O)CN2C(=C1C(=O)OC)C3=CC(=CC=C3)F 1 2.267 1 6 0 -2.5925391894574 1472043 COC(=O)C1=C2CS(=O)CN2C(=C1C(=O)OC)C3=CC(=CC=C3)F 1 2.171 1 5 -0.924152709286996 1472039 CC(C)(C)C1=CC=C(C=C1)C2=C(C(=C3N2CS(=O)C3)C(=O)OC)C(=O)OC 1 3.366 1 5 -0.97064928871677 1472038 COC(=O)C1=C2CS(=O)(=O)CN2C(=C1C(=O)OC)C3=CC(=CC=C3)Cl 1 2.726 1 6 0 -2.30599165611089 1472037 COC(=O)C1=C2CS(=O)CN2C(=C1C(=O)OC)C3=CC(=CC=C3)Cl 1 2.63 1 5 -0.637605175940485 1472036 CC1=CC=C(C=C1)C2=C(C(=C3N2CS(=O)(=O)C3)C(=O)OC)C(=O)OC 1 2.548 1 6 0 -5.21716991799848 1472035 CC1=CC=C(C=C1)C2=C(C(=C3N2CS(=O)C3)C(=O)OC)C(=O)OC 1 2.452 1 5 -3.54878343782807 1472031 C1=CC(=CC(=C1)Cl)C2=C(NC(=CC2=O)O)Cl 1 2.947 1 2 3.37594776154364 1472026 COC1=[N+](C=C(C=C1)NC(=O)C2=CC(=CC=C2)Cl)[O-] 1 1.807 2 3 0 -2.10617036072777 1472024 C1=CC2=C(C=C1Cl)NC(=N2)C3=CN=C(C=C3)Cl 1 3.657 3 0 5.84934802341359 1472023 C=CCN1C2=CC(=C(C=C2N=C1C3=C(N=CC=C3)Cl)Cl)Cl 1 5.145 3 0 -2.32287880634512 1472022 CCOC(=O)CN1C2=CC(=C(C=C2N=C1C3=C(N=CC=C3)Cl)Cl)Cl 1 4.584 3 2 -5.63575119472651 1472015 CC1=CC=C(C=C1)CN2C=CC=C(C2=O)C3=NC4=CC=CC=C4S3 1 3.92 2 1 3.91747808647734 1472014 C1=CC=C2C(=C1)N=C(S2)C3=CC=CN(C3=O)CC4=CC=C(C=C4)Cl 1 4.099 2 1 5.73947677706416 1472012 C1=CC=C(C=C1)CN2C=CC=C(C2=O)C3=NC4=CC=CC=C4S3 1 3.434 2 1 2.93425018468534 1472010 C1=CC(=C(N=C1)Cl)C2=NC3=CC(=C(C=C3N2)Cl)Cl 1 4.322 3 0 4.19689368820343 1472006 CN1C2=CC=CC=C2N=C1C3=CN=C(C=C3)Cl 1 3.199 3 0 3.40702805326509 1472000 CN1CCN(CC1)C(=O)CCC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.155 3 1 0.727502620514872 1471997 CC(C)(C)NC(=O)CCC1=C(C=C(C=N1)C(F)(F)F)Cl 1 2.923 2 1 -7.76800900312554 1471996 C1=CSC(=C1)C2=C(SC3=C2N=CC(=C3)C(F)(F)F)C(=O)NC4=CC=C(C=C4)C#N 1 5.338 3 1 -3.15095047164614 1471994 COC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=N3)C(F)(F)F)C4=CC=CS4 1 5.443 2 2 -0.938177531119597 1471993 C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=N3)C(F)(F)F)C4=CC=CS4 1 5.459 2 1 -0.779259686873587 1471978 CN(C)C1=C(C(=NC=C1)N2C=CC=C2C=NO)C#N 1 2.253 5 1 -4.97465930972427 1471973 C1=CC=C(C(=C1)CNC(=O)N)F 1 0.952 2 1 0 -6.26954024403414 1471970 CC(=O)C1=NN(C(=O)NC1=O)C2=CC=CC(=C2)C(F)(F)F 1 1.686 3 3 0 -1.58996383996654 1471957 CC(=O)C1=NN(C(=O)NC1=O)C2=CC=C(C=C2)OC 1 0.728 3 4 0 -6.21456356746778 1471956 CN1C(=O)C(=NN(C1=O)C2=C(C=C(C=C2)F)F)C(=O)/C=C/N(C)C 1 1.516 4 3 0 -5.595074581074 1471948 CN1C(=O)C(=NN(C1=O)C2=CC=C(C=C2)Cl)C(=O)/C=C/N(C)C 1 1.769 4 3 0 -4.44350190324096 1471946 CN1C(=O)C(=NN(C1=O)C2=C(C=C(C=C2)F)F)C(=O)CBr 1 2.038 3 3 -2.71653278788912 1471945 CC(=O)C1=NN(C(=O)N(C1=O)C)C2=C(C=C(C=C2)F)F 1 1.361 3 3 0 -6.67501311598686 1471942 CC(=O)C1=NN(C(=O)NC1=O)C2=CC=C(C=C2)Cl 1 1.408 3 3 0 -3.97959866773683 1471939 CC(=O)C1=NN(C(=O)NC1=O)C2=C(C=C(C=C2)F)F 1 1.155 3 3 0 -5.13117134556987 1471937 C1=CC2=C(C=C1Cl)N=C(C(=O)N2CCNC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl 1 4.632 4 1 2.53557714057859 1471936 C1=CC2=C(C=C1Cl)NC(=O)C(=O)N2CCNC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.373 4 2 0.974564881562207 1471930 CC(C)C1=CC=C(C=C1)N2CC(C2=O)(C)C 1 3.164 1 1 0.214824583329141 1471915 CC1(CN(C1=O)C2=CC=C(C=C2)C3=CC=NC4=NC=NN34)C 1 2.327 5 1 -5.66810366024758 1471911 C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=CC=NO3 1 2.206 2 3 -10.868388278945 1471881 CC1=NC(=CS1)C2=CC(=NO2)C3=CC=C(C=C3)Cl 1 3.85 2 1 8.19501757449265 1471880 CC1=C(C(=NO1)C)CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.716 2 5 0 -14.8769486638116 1471877 CC1=C(C(=NO1)C)CSC2=CC=C(C=C2)NC(=O)C 1 1.957 2 2 0 -11.2800347114852 1471874 CC1=C(C(=NO1)C)CS(=O)(=O)CC2=CC=C(C=C2)Cl 1 2.493 1 3 -8.0852617122599 1471871 CC1=C(C(=NO1)C)CSCC2=CC=C(C=C2)Cl 1 3.508 1 1 -8.6865291246876 1471864 CC1=C(C(=NO1)C)CS(=O)(=O)C2=CC=C(C=C2)Br 1 2.57 1 3 -12.417211930969 1471860 CC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N 1 4.111 3 1 -9.36105743501196 1471857 C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC(=CC=C3)C(F)(F)F)C#N 1 4.567 3 1 -6.59528850747603 1471855 C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)Cl)C#N)C3=CC=CC=C3 1 5.397 3 0 -4.80111790468264 1471853 COC1=CC=C(C=C1)CSC2=NC(=CC(=N2)N3CCOCC3)CSC 1 3.214 3 2 -9.16504418808957 1471842 CC(=O)NC1=NC=NC2=C1C(=NN2C(C)(C)C)C3=CC=C(C=C3)Cl 1 3.302 5 1 1.51522587209041 1471822 CN(C1=NC(=NC2=CC=CC=C21)C(F)(F)F)N 1 1.815 4 0 0 -0.302519431636323 1471816 CC(=NNC(=O)OC)C1=CC=C(C=C1)N2C=CN=C2 1 1.312 4 2 0 -7.92999917098897 1471814 C1=CC=C(C(=C1)C2=CSN=N2)OC(=O)C3=CC=CS3 1 3.707 2 2 -10.8462196146333 1471811 CC1=CC(=NN1C2=NC(=NC3=CC=CC=C32)C(F)(F)F)C 1 3.625 4 0 -3.97000381814154 1471809 CC(=NNC(=O)OC)C1=CC(=CC=C1)C(F)(F)F 1 2.585 2 2 -3.30205501655587 1471800 CC1=C(C(=O)N=CN1CCC2=CC(=C(C=C2)OC)OC)C#N 1 1.604 3 3 0 -6.19438378446541 1471783 C1=CC(=CC=C1SC2=C(C=C(C=C2)N)C#N)Cl 1 3.745 2 0 4.928386833862 1471779 C1=CC=C(C=C1)SC2=C(C=C(C=C2)N)C#N 1 3.08 2 0 2.18322291795907 1471776 C1=CC=C(C=C1)CNC2=NC(=NC(=C2)CS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=N4 1 3.732 4 2 -5.6267827510625 1471775 C1COCCN1C2=NC(=NC(=C2)CS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=N4 1 2.042 4 3 0 -6.75851201159452 1471774 CSC1=C(C(=O)NC(=C1)C2=CC=CC=C2)C#N 1 1.509 2 1 0 -4.15282519799704 1471768 CSC1=C(C=C(C=C1)C#N)NC(=O)C2=CC(=CC=C2)Cl 1 3.699 2 1 -7.23833377326698 1471767 CSC1=C(C=C(C=C1)C#N)NC(=O)C2=CC=CC=C2 1 3.035 2 1 -10.3670568806994 1471766 CSC1=NC(=NC(=C1)CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.076 2 2 -3.21978182742582 1471764 CCOC(=O)CSC1=NC(=NC(=C1)CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.132 2 4 -12.5101937197454 1471763 C1=CC=C(C=C1)C2=NC(=CC(=N2)OC3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4 1 5.095 2 3 -1.8666992939255 1471762 C1=CC=C(C=C1)C2=NC(=CC(=N2)SC3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4 1 5.653 2 2 -1.61153290773451 1471761 C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)CS(=O)(=O)C3=CC=CC=C3 1 3.869 2 2 -4.30286291143323 1471755 C1=CC=C(C=C1)S(=O)(=O)CC2=CC(=NC(=N2)C3=CN=CC=C3)Cl 1 2.718 3 2 -6.83260660937572 1471753 CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C#N)SC 1 3.521 2 1 -12.2064067948272 1471752 CSC1=C(C=C(C=C1)C#N)NC(=O)C2=CN=C(C=C2)Cl 1 2.758 3 1 -11.7997187702092 1471751 CSC1=C(C=C(C=C1)C#N)NC(=O)C2=C(N=CC=C2)Cl 1 2.758 3 1 -7.38051790193422 1471746 CSC1=C(C=C(C=C1)C#N)NC(=O)C2=CC=C(C=C2)Cl 1 3.699 2 1 -7.74941062260319 1471745 CSC1=C(C=C(C=C1)C#N)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.364 2 1 -5.61078363828556 1471734 CC1=C(C=C(C(=N1)N2CCN(CC2)C)C#N)C(=O)C 1 0.619 4 1 0 -3.37162042704121 1471733 CC1=C(C=C(C(=N1)N2CCCC2)C#N)C(=O)C 1 1.123 3 1 0 -5.99655730888679 1471732 CC1=C(C=C(C(=N1)N2CCCCC2)C#N)C(=O)C 1 1.579 3 1 0 -6.35102582305487 1471731 CC1=C(C=C(C(=N1)N2CCOCC2)C#N)C(=O)C 1 0.349 3 2 0 -7.94011194576764 1471730 CCN(CC)C1=NC(=C(C=C1C#N)C(=O)C)C 1 1.359 3 1 0 -8.99531837154945 1471725 CC1=C(C=C(C(=N1)NCC2=CC=CC=C2)C#N)C(=O)OC 1 2.155 3 2 -8.76978190405109 1471724 CC1=CC=C(C=C1)/C=C/C2=NN(C(=O)CC2)CC3=CC=CC=C3Cl 1 4.447 2 1 -1.6002760386654 1471722 CCOC(=O)CN1C(=O)CCC(=N1)/C=C/C2=CC=C(C=C2)C(C)C 1 2.963 2 3 -7.21311165876564 1471717 CC1=C(C=C(C(=N1)NCC2=CC=CC=C2)C#N)C(=O)C 1 2.039 3 1 -8.67767609713938 1471712 CC1=C(C=C(C(=N1)NC)C#N)C(=O)C 1 0.456 3 1 0 -8.88690652689118 1471710 C1CC(=O)N(N=C1/C=C/C2=CC=CC=C2)CC3=CC=C(C=C3)F 1 3.502 2 1 -0.879188218386099 1471708 C1CC(=O)N(N=C1/C=C/C2=CC=CC=C2)CC3=CC(=C(C=C3)Cl)Cl 1 4.625 2 1 -3.13403102349078e-002 1471706 C1CC(=O)N(N=C1/C=C/C2=CC=CC=C2)CC3=CC=CC=C3Cl 1 3.961 2 1 -1.94063285276216 1471702 CC1=CC(=CC(=C1)OC2=NC(=C(C=C2C#N)C(=O)C)C)C 1 3.652 2 2 -5.30278788450789 1471701 CC1=C(C=C(C(=N1)OC2=CC=CC=C2OC)C#N)C(=O)C 1 2.663 2 3 -8.07179029168232 1471700 CC1=C(C=C(C(=N1)OC2=CC=C(C=C2)F)C#N)C(=O)C 1 2.885 2 2 -3.11100915746301 1471699 CC1=CC=CC=C1CN2C(=O)CCC(=N2)/C=C/C3=CC=CC=C3 1 3.783 2 1 -2.93149802515242 1471693 CC1=C(C=C(C(=N1)OC2=C(C=C(C=C2)Cl)Cl)C#N)C(=O)C 1 4.008 2 2 -4.05598684489939 1471692 CC1=C(C=C(C(=N1)OC2=CC=CC(=C2)C(F)(F)F)C#N)C(=O)C 1 3.622 2 2 -0.689709967727728 1471691 CCOC1=CC=C(C=C1)/C=C/C2=NN(C(=O)CC2)CC(=O)OCC 1 2.101 2 4 -8.23551484531263 1471687 CC(C)C1=CC=C(C=C1)/C=C/C2=NNC(=O)CC2 1 2.701 2 1 -6.54124243473588 1471685 CC(C)C1=CC=C(C=C1)/C=C/C(=O)CCC(=O)O 1 3.067 0 3 -3.61009305081937 1471677 CCOC1=CC=C(C=C1)/C=C/C2=NNC(=O)CC2 1 1.84 2 2 0 -8.00389149223967 1471675 CCOC1=CC=C(C=C1)/C=C/C(=O)CCC(=O)O 1 2.205 0 4 -5.07274210832317 1471671 CC1=C(C=C(C(=N1)OC2=CC=CC=C2)C#N)C(=O)C 1 2.68 2 2 -4.31112019489707 1471670 CC1=C(C(=CC=C1)OC2=NC(=C(C=C2C#N)C(=O)OC)C)C 1 3.768 2 3 -3.79470052617438 1471668 CC1=C(C=C(C(=N1)SCC2=CC=CC=C2)C#N)C(=O)OC 1 3.36 2 2 -12.7900388694333 1471663 CC1=C(C=C(C(=N1)OC2=CC=CC=C2OC)C#N)C(=O)OC 1 2.779 2 4 -7.99512324968458 1471661 CC1=C(C=C(C(=N1)OC2=CC=CC=C2)C#N)C(=O)OC 1 2.795 2 3 -4.33218305317372 1471659 CC1=C(C=C(C(=N1)OC(C)C)C#N)C(=O)OC 1 1.945 2 3 0 -8.11388447134498 1471658 CC1=C(C=C(C(=N1)OC2=CC=C(C=C2)OC)C#N)C(=O)OC 1 2.779 2 4 -4.30446192127423 1471656 CC1=C(C=C(C(=N1)OC2=CC=C(C=C2)F)C#N)C(=O)OC 1 3.001 2 3 -3.13207201573967 1471655 CC1=C(C=C(C(=N1)OC)C#N)C(=O)OC 1 1.218 2 3 0 -7.51625825825311 1471651 CC(=NO)CCS(=O)(=O)C1=CC=CC=C1 1 1.253 1 3 0 -7.88925194474459 1471647 C1=CN(C=C1)C2=NN3C(=CC=NC3=N2)C4=CC=CO4 1 2.98 5 1 -0.207557946977788 1471646 CC1=CC=C(O1)C2=CC=NC3=NC(=NN23)N4C=CC=C4 1 3.125 5 1 -0.28314334628418 1471643 C1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)N4C=CC=C4 1 3.584 5 0 -0.585854899509284 1471640 COC1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)N4C=CC=C4 1 3.568 5 1 -0.426910465813444 1471639 C1=CC(=CC(=C1)N=C2C(=NSS2)Cl)C#N 1 3.294 3 0 4.99193991424838 1471637 C1=CN(C=C1)C2=NN3C(=CC=NC3=N2)C4=CC(=CC=C4)Cl 1 4.249 5 0 2.97894213010589 1471633 C1=CC(=C(C=C1F)F)N=C2C(=NSS2)Cl 1 3.826 2 0 9.76718172093208 1471612 C1=CC=C2C(=C1)N=C(C3=CC=CN23)OC4=CC=C(C=C4)Cl 1 4.904 2 1 5.37342444017063 1471610 C1=CC=C2C(=C1)N=C(C3=CC=CN23)OC4=CC(=CC=C4)F 1 4.445 2 1 5.99620897269315 1471609 C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N4C2=CC=C4 1 4.239 2 1 2.8947787406026 1471608 CC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N4C2=CC=C4 1 4.725 2 1 3.55142574958381 1471599 C1OC2=C(O1)C=C(C=C2)NC(=S)N 1 1.848 2 2 0 -4.7672900185564 1471597 CSC1=CC=C(C=C1)NC(=S)N 1 2.622 2 0 0.394396487175297 1471594 CN(C)/C=C/1\C(=O)C2=C(O1)C3=CC=CC=C3C=C2 1 2.067 1 2 0.90733262503159 1471588 CN(C)/C=C\1/C(=O)C2=C(O1)C=CC3=CC=CC=C32 1 2.067 1 2 -0.192040657624225 1471585 C1C(=O)C2=C(O1)C=CC3=CC=CC=C32 1 2.147 0 2 2.19767373292027 1471584 C1COCCN1C2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=C(C=C4)F 1 3.238 4 1 -1.59037228462606 1471583 C1COCCN1C2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=C(C=C4)Br 1 3.781 4 1 -1.93691036460593 1471579 CN1C(=O)C(=NN(C1=O)C2=CC(=CC=C2)OC)C3=CC=NN3C4=CC=C(C=C4)F 1 3.455 5 3 0 -5.74702876440469 1471578 CC1=CC=C(C=C1)N2C(=CC=N2)C3=NN(C(=O)N(C3=O)C)C4=CC(=CC=C4)OC 1 3.735 5 3 0 -6.45890578986995 1471575 CN1C(=O)C(=NN(C1=O)C2=CC(=CC=C2)OC)C3=CC=NN3C4=CC(=CC=C4)Cl 1 3.914 5 3 0 -3.13482620501951 1471574 CN1C(=O)C(=NN(C1=O)C2=CC(=CC=C2)OC)C3=CC=NN3C4=CC=C(C=C4)OC 1 3.233 5 4 0 -6.9618480527109 1471573 CN1C(=O)C(=NN(C1=O)C2=CC(=CC=C2)OC)C3=CC=NN3C4=CC=CC=C4 1 3.249 5 3 0 -7.22279252698236 1471566 CC(=O)C1=NN(C(=O)NC1=O)C2=CC(=CC=C2)OC 1 0.728 3 4 0 -6.45263159781737 1471548 CC1=CC(=O)C(=CN1NC2=CC=C(C=C2)Cl)C(=O)O 1 1.85 2 3 0 -2.65403498716234 1471545 COC1=CC=C(C=C1)C(=NOC)CS(=O)(=O)C2=CC=C(C=C2)Br 1 3.45 1 4 -4.86394092918769 1471544 COC1=CC=C(C=C1)C(=NOC)CS(=O)C2=CC=C(C=C2)Br 1 3.354 1 3 2.65895943052403 1471543 CC1=CC=C(C=C1)S(=O)(=O)CC(=NOC)C2=CC=C(C=C2)OC 1 3.188 1 4 -5.22927987467307 1471537 COC1=CC=C(C=C1)C(=NOC)COC2=CC=C(C=C2)F 1 3.365 1 3 0.235224272178682 1471520 CON=C(CS(=O)CC1=CC=CC=C1Cl)C2=C(C=C(C=C2)Cl)Cl 1 4.622 1 2 6.1026670841826 1471498 CON=C(CS(=O)(=O)CC1=CC=CC=C1Cl)C2=C(C=C(C=C2)Cl)Cl 1 4.718 1 3 1.13910029682263 1471492 CSC1=C(N=C2C=CC(=CC2=C1C(=O)O)Cl)C3=CC=CC=C3 1 4.799 1 2 7.54041284388282 1471479 CN1C2=C(C=C(S2)C(=O)NC3CC3)C(=N1)C(F)(F)F 1 2.579 3 1 -7.07997463765369 1471468 C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)Cl 1 4.76 2 0 -5.24263688839884 1471462 C1=CC=C(C=C1)NC(=S)NCC2=CC(=CC=C2)C(F)(F)F 1 5.038 2 0 -3.935343666207 1471458 CN1C2=C(C=C(S2)C(=O)N3CCOCC3)C(=N1)C(F)(F)F 1 1.983 3 2 0 -7.0632947924107 1471455 CN1C2=C(C=C(S2)C(=O)NC3=CC=C(C=C3)Cl)C(=N1)C(F)(F)F 1 4.331 3 1 -1.25932260929847 1471453 CN1C2=C(C=C(S2)C(=O)NC3=C(C=C(C=C3)F)F)C(=N1)C(F)(F)F 1 4.077 3 1 -3.09955543723454 1471444 CC1=CC=C(C=C1)NN=C(C=O)C(=O)C2=CC=C(C=C2)Cl 1 4.253 2 2 0.291254970906961 1471438 C1=CC=C(C=C1)NN=C(C=O)C(=O)C2=CC=C(C=C2)Cl 1 3.767 2 2 0.134600832533612 1471419 CC1=CC(=CC=C1)NN=C(C=O)C(=O)C2=CC=CS2 1 3.542 2 2 -0.588955977485128 1471406 CCOC1=CN=C(O1)C2=CC=CC=C2F 1 2.314 1 2 2.63967030351857 1471387 CC1=C(C(=NO1)C)C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 1.667 3 2 0 -8.2976894399203 1471380 CSCC1=CC(=NC(=N1)C2=CC=CC=C2)N3CCOCC3 1 2.204 3 1 -1.02595914915133 1471367 COC1=NC(=NC(=C1)CSC)C2=CC=CC=C2 1 2.957 2 1 -2.17424196383068 1471355 CC1=CC=C(C=C1)C2=CC3=C(C4=CC=CC=C4C3=NN2)N=O 1 5.061 3 1 6.6715372518726 1471352 CC1=CC=C(C=C1)S(=O)(=O)CCNC(=O)CC2=CC=C(C=C2)Cl 1 3.398 1 3 -12.5757764864604 1471350 CC1=CC=C(C=C1)S(=O)(=O)CCNC(=O)CC2=CC=CC=C2 1 2.733 1 3 -15.2125900818268 1471349 CC1=CC=C(C=C1)S(=O)CCNC(=O)CC2=CC=CC=C2 1 2.637 1 2 -6.37387457083576 1471347 CC1=CC=C(C=C1)CC(=O)NCCS(=O)C2=CC=C(C=C2)C 1 3.123 1 2 -6.38537860827372 1471344 CC1=CC=C(C=C1)S(=O)CCNC(=O)CC2=CC=C(C=C2)Cl 1 3.302 1 2 -3.73706097546934 1471333 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3C#N 1 3.596 2 3 -10.4876817297578 1471331 COC(=O)C1=CC=CC=C1S(=O)(=O)NNC(=O)NC2=CC=CC=C2 1 1.338 3 5 0 -12.1382906837044 1471329 CC1=CC=C(C=C1)SC2=C(C=CC=N2)C=NO 1 3.649 2 1 4.64285370756397 1471327 CC1(OC(=O)C(=CNC(=O)C2=CC=C(C=C2)OC)C(=O)O1)C 1 0.61 1 6 0 -6.050351862261 1471311 COC1=CC=CC=C1COC(=O)N/C=C/C2=CC=CO2 1 2.498 1 4 -2.4376955458554 1471309 CC(C)NC(=O)C1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2C#N 1 2.745 2 3 -17.1251838973316 1471308 CC(C)NC(=O)C1=CC=CC=C1S(=O)C2=CC=CC=C2C#N 1 2.649 2 2 -9.53127848683256 1471299 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2S(=O)C3=CC=CC=C3C#N 1 3.5 2 2 -2.8937763192588 1471292 COC1=CC=C(C=C1)COC(=O)N/C=C/C2=CC=CO2 1 2.498 1 4 -0.489946823337131 1471287 CNC(=O)C1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2C#N 1 2.019 2 3 -12.6951566067981 1471282 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 4.611 2 1 -7.76802884618929 1471280 C1=CC=C(C=C1)COC(=O)N/C=C/C2=CC=CO2 1 2.514 1 3 -1.06023269413241 1471270 CC1(OC(=O)C(=CNC(=O)C2=C(C=CC=C2F)F)C(=O)O1)C 1 1.038 1 5 0 -6.80164454576901 1471255 CC1=C(C=CC(=C1)Cl)N=C2C(=NSS2)Cl 1 4.565 2 0 10.0570948633118 1471242 CC1=NC=CC(=N1)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.622 3 4 0 -4.37220689277268 1471237 C1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC(=C(C=C3)[N+](=O)[O-])CS(=O)(=O)C4=CC=C(C=C4)Cl 1 5.286 3 4 0 -1.36085817076225 1471216 CC1=CC=CC=C1C(=O)NC=C2C(=O)OC(OC2=O)(C)C 1 1.113 1 5 0 -9.17813337431124 1471208 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.227 2 3 -1.19437927357705 1471207 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.022 2 3 -2.30871133333451 1471205 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.873 2 3 6.53889145527742 1471186 CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl)C 1 5.845 2 3 5.41901438721993 1471178 CC1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)SC4=C(C=C(C=N4)C(F)(F)F)Cl 1 6.308 5 0 3.04893294188294 1471176 COC1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)SC4=C(C=C(C=N4)C(F)(F)F)Cl 1 5.805 5 1 2.6359667327388 1471157 CC1=C(C=C(C(=O)N1CC=C)NC(=O)C2=CC=CC=C2)C(=O)C 1 1.192 2 3 0 -13.9483086587119 1471142 COC1=CC=CC=C1C2=NC3=CC=CC=C3C(=O)N2O 1 2.489 2 3 -0.663766659025051 1471141 C1=CC=C(C=C1)CN2C(=O)C=C(NC2=O)C(=O)O 1 0.637 2 4 0 -4.69754094854789 1471105 C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=O)N2O)[N+](=O)[O-] 1 3.149 3 4 0 4.88824533651152 1471104 C1=CC(=CC=C1C#N)C2=NC3=C(C=C(C=C3)Br)C(=O)N2O 1 3.133 3 2 4.35690397419807 1471101 C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=O)N2O)Cl 1 3.919 2 2 8.80464181445557 1471100 C1=CC(=CC(=C1)Cl)C2=NC3=C(C=C(C=C3)Br)C(=O)N2O 1 3.919 2 2 10.1352334865982 1471096 CN1C2=CC=CC=C2N=C(C1=O)OC3=CC=C(C=C3)OC 1 2.724 2 3 -0.974807173540992 1471093 CN1C2=CC=CC=C2N=C(C1=O)OC3=CC(=CC(=C3)Cl)Cl 1 4.07 2 2 -0.700475636737384 1471092 CN1C2=CC=CC=C2N=C(C1=O)N(C)C 1 0.723 3 1 0 -3.78836954102031 1471091 CNC1=NC2=CC=CC=C2N(C1=O)C 1 0.517 3 1 0 -4.31686202228392 1471085 CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=O)N2O)Cl)Cl 1 4.321 2 2 8.63602339286135 1471083 CC1=CC=CC=C1S(=O)(=O)C2=C(NC(=O)C(=C2)C#N)N 1 0.588 3 3 0 -12.18433923785 1471081 C1=CC(=CC=C1F)S(=O)(=O)C2=C(NC(=O)C(=C2)C#N)N 1 0.308 3 3 0 -10.7760190489978 1471080 C1=CC(=CC=C1S(=O)(=O)C2=C(NC(=O)C(=C2)C#N)N)Cl 1 0.767 3 3 0 -9.66589738387621 1471079 CC1=CC=C(C=C1)S(=O)(=O)C2=C(NC(=O)C(=C2)C#N)N 1 0.588 3 3 0 -11.487896074463 1471078 C1=CC=C(C=C1)S(=O)(=O)C2=C(NC(=O)C(=C2)C#N)N 1 0.102 3 3 0 -12.3839057136992 1471076 CC1=CC=CC=C1S(=O)(=O)C2=C(N=C(C(=C2)C#N)OC)N 1 2.462 3 3 -9.05051629831158 1471071 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(C(=C2)C#N)OC)N 1 2.462 3 3 -9.71531279890744 1471070 COC1=NC(=C(C=C1C#N)S(=O)(=O)C2=CC=CC=C2)N 1 1.976 3 3 0 -10.6113224381436 1471064 CC1=CC=CC=C1S(=O)(=O)C2=C(N=C(C=C2C)C)N(C)C 1 3.738 2 2 -8.66728703087396 1471061 CC1=CC=CC=C1S(=O)(=O)C2=C(N=C(C=C2C)C)OC3=CC=CC=C3 1 5.136 1 3 -4.37363233205624 1471060 CC1=CC(=NC(=C1S(=O)(=O)C2=CC=CC=C2Cl)Cl)C 1 4.088 1 2 -5.10601739919685 1471058 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(C=C2C)C)Cl 1 3.91 1 2 -4.31986342917059 1471053 CCCN1C2=CC(=C(C=C2N=C1C3=C(N=CC=C3)Cl)Cl)Cl 1 5.4 3 0 0.475526730184669 1471043 CCN1C2=CC(=C(C=C2N=C1C3=C(N=CC=C3)Cl)Cl)Cl 1 4.877 3 0 0.846981705379283 1471035 CC1=CC(=NC(=C1S(=O)(=O)C2=C(C=C(C=C2)Cl)C)Cl)C 1 4.575 1 2 -0.158328420574858 1471014 CN1C(=C(C(=N1)C(F)(F)F)C#N)N(C)NS(=O)(=O)C 1 0.993 5 2 0 -5.11442160360761 1471003 CN(C)C1=C(C(=NC=C1)NC2=CC=C(C=C2)O)C#N 1 1.93 4 1 0 -2.67559639703916 1470976 CN(C)S(=O)(=O)C1=CC=C(C=C1)N2C=CC=C2 1 1.823 2 2 0 -4.13008446209472 1470962 COC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C(F)(F)F 1 4.747 2 2 4.67420264688987 1470949 COC1=C(C(=NC=C1)OC2=CC=C(C=C2)Cl)C#N 1 3.305 2 2 -1.41250028943234 1470905 C1=CC2=C(N=C1)N(C(=O)C(=O)N2)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl 1 2.097 5 2 0 -0.996844885124181 1470907 C1CC2(CCC13NC(=O)N(N3)C4=CC=CC=C4)OCCO2 1 0.46 3 3 0 -3.55546458435377 1470943 CN(C)C1=C(C(=NC=C1)NC2=CC=C(C=C2)OC)C#N 1 2.156 4 1 -4.96843671732245 1470942 C1=CC=C2C(=C1)N=C(C3=NN=C(N23)N)C(F)(F)F 1 2.385 5 0 0.1130992036097 1470929 CN(C)C1=C(C(=NC=C1)NC2=CC=C(C=C2)F)C#N 1 2.377 4 0 -3.84359348271306 1470924 COC1=C(C(=NC=C1)N2CCN(CC2)C3=CC=CC=C3)C#N 1 2.252 4 1 -1.58936752444032 1470918 CC1=CC=CC=C1C(=O)NN(C)C2=NC3=CC=CC=C3N=C2C(F)(F)F 1 4.066 4 1 -6.7843763854053 1470917 CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC3=CC=CC=C3N=C2C(F)(F)F 1 3.563 4 2 -1.7038672816573 1470916 C1=CC=C2C(=C1)N=C(C3=NN=C(N23)C4=C(C=C(C=C4)Cl)Cl)C(F)(F)F 1 5.56 4 0 3.33725106173794 1470913 C1=CC=C2C(=C1)N=C(C3=NN=C(N23)C4=CC=C(C=C4)Cl)C(F)(F)F 1 4.895 4 0 3.77224476019449 1470825 CC1=CC=C(C=C1)SC2=NC(=NC=C2OC)C3=CC=CC=N3 1 4.076 3 1 4.51904467843459 1470823 COC1=CN=C(N=C1SC2=C(C=CC=C2Cl)Cl)C3=CC=CC=N3 1 4.919 3 1 4.02674138736078 1470762 CC(C)(C#C)NC(=O)C1=CN=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3 1 4.6 3 1 8.22620329328985e-002 1470760 CN(C)C(=O)C1=CN=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3 1 3.032 3 1 2.44709058308939 1470753 CNC(=O)C1=CN=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3 1 2.826 3 1 0.583467095987216 1470743 COC1=CN=C(N=C1SC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=N3 1 4.919 3 1 5.42756950796716 1470741 COC1=CC=CC=C1SC2=NC(=NC=C2OC)C3=CC=CC=N3 1 3.573 3 2 1.10751746083676 1470719 CN(C1=CC=CC=C1)C2=NC(=NC=C2OC)C3=CC=CC=N3 1 2.59 4 1 4.09739947098742 1470718 COC1=CN=C(N=C1OC2=C(C=C(C=C2)F)F)C3=CC=CC=N3 1 3.443 3 2 6.88210257270337 1470716 CCOC(=O)CSC1=NC(=NC=C1OC)C2=CC=CC=N2 1 2.069 3 3 -8.37624822744421 1470715 CC(C)NC1=NC(=NC=C1OC)C2=CC=CC=N2 1 1.534 4 1 0 0.886603572354646 1470654 C1CC(C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3Br 1 3.106 4 2 -16.2851373931616 1470644 C1CC1C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3Cl 1 2.566 4 2 -18.4879299818388 1470637 CC(C)(C)CC(=O)NC1=NN=C(S1)SCC(=O)NC2=CC=CC=C2F 1 2.93 4 2 -21.4563043409154 1470635 C1CC(C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3F 1 2.563 4 2 -16.0597475072687 1470627 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CC3 1 2.234 4 3 0 -19.6677836141171 1470621 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CCC3 1 2.341 4 3 0 -15.2178625693991 1470605 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(S2)NC(=O)C3CC3 1 2.874 4 2 -20.7081213345456 1470600 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CC3)C 1 2.874 4 2 -18.736509067905 1470590 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CCC3 1 2.844 4 2 -12.9172508069259 1470582 CC1=CC=CC=C1NC(=O)CSC2=NN=C(S2)NC(=O)C3CC3 1 2.388 4 2 -21.0532870292572 1470579 C1CC(C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3 1 2.358 4 2 -14.9615504986283 1470577 C1CC1C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3 1 1.901 4 2 0 -18.6452483916383 1470574 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NN=C(S3)NC(=O)C4CCC4 1 2.6 5 3 0 -12.9998713504735 1470573 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NN=C(S3)NC(=O)C4CC4 1 2.144 5 3 0 -16.6835692434834 1470519 CCC(=O)NC1=NN=C(S1)SCC(=O)NC2CCCC2 1 1.636 4 2 0 -21.2292767330814 1470518 CC(=O)NC1=NN=C(S1)SCC(=O)NC2CCCC2 1 0.969 4 2 0 -21.6968695171262 1470517 COC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3CCCC3 1 2.617 4 3 0 -23.796756196128 1470516 C1CCC(C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)F 1 2.839 4 2 -22.0114249234335 1470512 C1CCC(C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3 1 2.633 4 2 -23.6316056042322 1470506 CCC(CC)C(=O)NC1=NN=C(S1)SCC(=O)NC(C)(C)C 1 2.54 4 2 -24.8464684774525 1470483 C1CCN(CC1)C(=O)CSC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)F)F 1 2.765 4 2 -19.3574900964929 1470482 C1CCN(CC1)C(=O)CSC2=NN=C(S2)NC(=O)C3=C(C=CC=C3F)F 1 2.765 4 2 -22.9684630251934 1470479 CC(C)(C)CC(=O)NC1=NN=C(S1)SCC(=O)N2CCCCC2 1 2.271 4 2 -23.5538815157003 1470475 C1CCN(CC1)C(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3F 1 2.56 4 2 -22.8014802968723 1470474 COCC(=O)NC1=NN=C(S1)SCC(=O)N2CCCCC2 1 0.427 4 3 0 -22.8815867671738 1470461 C1CCC(CC1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=C(C=CC=C3F)F 1 3.501 4 2 -24.7952546712083 1470458 CC(C)(C)CC(=O)NC1=NN=C(S1)SCC(=O)NC2CCCCC2 1 3.006 4 2 -24.1556650664287 1470457 CCC(CC)C(=O)NC1=NN=C(S1)SCC(=O)NC2CCCCC2 1 3.467 4 2 -22.7656037314164 1470450 CC(C)(C)C(=O)NC1=NN=C(S1)SCC(=O)NC2CCCCC2 1 2.972 4 2 -28.5166146135358 1470444 C1CCC(C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)F)F 1 3.044 4 2 -20.8298132283397 1470443 C1CCC(C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=C(C=CC=C3F)F 1 3.044 4 2 -24.4407861570403 1470440 CC(C)(C)CC(=O)NC1=NN=C(S1)SCC(=O)NC2CCCC2 1 2.55 4 2 -23.8011965522607 1470435 C1CCC(C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)F 1 2.839 4 2 -22.1240810112576 1470434 C1CCC(C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3F 1 2.839 4 2 -24.2738034287192 1470430 CC(C)(C)C(=O)NC1=NN=C(S1)SCC(=O)NC2CCCC2 1 2.516 4 2 -28.1621460993677 1470429 CC(C)C(=O)NC1=NN=C(S1)SCC(=O)NC2CCCC2 1 2.099 4 2 -24.5970025380251 1470403 CC(C)N(C(C)C)C(=O)CSC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)F 1 5.142 3 1 -12.4618200686778 1470402 CC(C)N(C(C)C)C(=O)CSC1=NC2=CC=CC=C2N1CC3=CC=CC=C3F 1 5.142 3 1 -14.9639091636892 1470401 CC(C)N(C(C)C)C(=O)CSC1=NC2=CC=CC=C2N1CC3=CC=CC=C3 1 4.936 3 1 -14.156924995935 1470359 C1CCC(C1)NC(=O)COC(=O)C2=NSC(=C2Cl)Cl 1 2.711 2 3 -11.4194190983558 1470228 C1=COC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F 1 1.929 1 4 0 -10.3430632072414 1470227 C1CCC(C1)NC(=O)COC(=O)C2=CC=CO2 1 1.542 1 4 0 -9.76751684864098 1469834 COC1=CC=C(C=C1)CNC(=O)CN2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3 1 2.584 5 2 0 -19.484203949518 1469824 C1CN(CCC1N2C3=C(C=C(C=C3)F)N=N2)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.775 5 3 0 -17.0091403002171 1469822 COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3)OC 1 2.848 4 3 0 -19.697629030213 1469803 C1CN(CCC1N2C3=C(C=C(C=C3)F)N=N2)S(=O)(=O)C4=CC=CC=C4 1 2.584 4 2 -24.0284293651042 1469777 CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)CC(=O)NCC4=CC=CC=C4F 1 3.086 5 1 -18.691816893537 1469769 CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)CC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5 1 4.656 5 1 -11.5684536381786 1469752 CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)C(=O)C4=CC=CC=C4F 1 3.367 4 1 -13.995556273485 1469740 CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O 1 2.494 4 4 0 -24.188575087995 1469735 CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)CC(=O)NC4=CC=C(C=C4)F 1 3.079 5 1 -12.0637791845824 1469711 CCOC1=CC=C(C=C1)NC(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)C)N=N3 1 3.402 5 2 0 -14.8431212273139 1469710 CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)C(=O)NC4=CC=C(C=C4)OC 1 3.053 5 2 0 -14.0768980756059 1469708 CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)C(=O)NCC4=CC=CC=C4 1 3.076 5 1 -16.5613124652023 1469707 CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)C(=O)NC4=CC=CC=C4C 1 3.556 5 1 -16.1912757342064 1469706 CC1=CC(=CC=C1)NC(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)C)N=N3 1 3.556 5 1 -12.878582412057 1469705 CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)C(=O)NC4=CC=CC=C4 1 3.069 5 1 -13.8205860048351 1469704 C1CN(CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)S(=O)(=O)C4=CC=C(C=C4)C(=O)O 1 2.95 4 4 0 -21.7165727772666 1469703 C1CN(CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)S(=O)(=O)C4=CC=CC(=C4)C(=O)O 1 2.95 4 4 0 -22.2018710812777 1469691 CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 3.773 4 2 -19.4315009390362 1469687 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)C)N=N3 1 3.35 4 2 -21.9624358218586 1469683 C1CN(CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)CC4=NN=NN4CC5=CC=C(C=C5)F 1 3.57 8 0 0 -17.9577556302989 1469680 C1CC2=C(C1)C=C(C=C2)NC(=O)CN3CCC(CC3)N4C5=C(C=C(C=C5)C(F)(F)F)N=N4 1 4.387 5 1 -14.057655333851 1469660 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCC(CC3)N4C5=C(C=C(C=C5)C(F)(F)F)N=N4 1 4.288 6 2 0 -11.3007038880679 1469647 COC(=O)C1=CC=CC=C1NC(=O)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3 1 3.185 5 3 0 -17.4110121128588 1469628 C1CN(CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)C(=O)C4=C(C=CC=C4F)F 1 4.028 4 1 -12.8567345615219 1469608 CC1=CC=CC=C1NC(=O)CN2CCC(CC2)N3C4=CC=CC=C4N=N3 1 2.874 5 1 -17.5395901945423 1469604 COCC(=O)N1CCC(CC1)N2C3=C(C=C(C=C3)C(F)(F)F)N=N2 1 1.689 4 2 0 -13.945518440619 1469601 CCOC1=CC=CC=C1C(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3 1 3.95 4 2 -14.3467085994826 1469593 C1CN(CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)C(=O)CCC(=O)O 1 1.798 4 3 0 -17.3191803226691 1469544 C1CN(CCC1N2C3=CC=CC=C3N=N2)C(=O)C4=CC=C(C=C4)F 1 2.881 4 1 -14.4172951026652 1469535 CCOC1=CC=C(C=C1)NC(=O)N2CCC(CC2)N3C4=CC=CC=C4N=N3 1 2.916 5 2 0 -16.8739494388039 1469534 COC1=CC=CC(=C1)NC(=O)N2CCC(CC2)N3C4=CC=CC=C4N=N3 1 2.567 5 2 0 -15.848415118933 1469516 CCOC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)N3C=NC4=C3C=CC(=C4)F 1 2.836 4 2 -10.5833943933549 1469473 CC1=NC2=C(N1C3CCN(CC3)C(=O)C4=C(C=C(C=C4)F)F)C=CC(=C2)F 1 3.463 3 1 -7.59074218695794 1469472 CC1=NC2=C(N1C3CCN(CC3)C(=O)C4=C(C=CC=C4F)F)C=CC(=C2)F 1 3.463 3 1 -10.8960957094622 1469465 CC1=NC2=C(N1C3CCN(CC3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C=CC(=C2)F 1 3.003 3 4 0 -12.645350991555 1469455 CC1=NC2=C(N1C3CCN(CC3)C(=O)C4=CC=C(C=C4)OC)C=CC(=C2)F 1 3.036 3 2 -8.83396457267131 1469444 C1CN(CCC1N2C=NC3=C2C=CC(=C3)C(F)(F)F)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.895 3 2 -11.8341703545692 1469434 CC1=NC2=C(N1C3CCN(CC3)CC4=NN=NN4CCC5=CC=CC=C5)C=CC(=C2)C(F)(F)F 1 3.857 7 0 0 -16.616723736674 1469432 CCC(C)(C)N1C(=NN=N1)CN2CCC(CC2)N3C(=NC4=C3C=CC(=C4)C(F)(F)F)C 1 3.407 7 0 0 -8.47461597343916 1469430 CCNC(=S)N1CCC(CC1)N2C=NC3=CC=CC=C32 1 2.884 4 0 -16.73967682919 1469429 CNC(=S)N1CCC(CC1)N2C=NC3=CC=CC=C32 1 2.535 4 0 -15.4285478655481 1469427 C1CN(CCC1N2C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C(F)(F)F 1 3.231 3 2 -16.0492224359231 1469422 COC1=CC=C(C=C1)NC(=O)N2CCC(CC2)N3C=NC4=CC=CC=C43 1 2.477 4 2 -11.2010612182563 1469400 COC1=CC=CC=C1CNC(=O)CN2CCC(CC2)N3C=NC4=C3C=CC(=C4)F 1 2.494 4 2 -16.4106120068196 1469385 C1CCC(CC1)NC(=O)CN(CC2=CC=CO2)C(=O)C3=NSC(=C3Cl)Cl 1 3.491 3 3 -13.6470357428633 1469380 CCOC1=CC=CC=C1N(CC(=O)NC2CCCCC2)C(=O)C3=NSC(=C3Cl)Cl 1 4.635 3 3 -14.2914513432916 1468320 CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)Cl)C(=O)N3CCCCC3 1 3.181 3 2 -8.89511769180187 1468316 CC1=C(SC(=N1)NC(=O)/C=C/C2=CC=CC=C2)C(=O)N3CCCCC3 1 2.984 3 2 -10.5656344365679 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3 4 0 -9.692839557997 1465559 C1C(=O)N(C(=NNC(=O)COC2=CC=CC3=C2N=CC=C3)S1)CCC4=CC=CC=C4 1 3.271 4 3 0 -17.3645562196242 1465543 CC1=C(SC(=N1)NC(=O)COC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC 1 2.789 3 4 0 -10.265554822752 1464427 COC1=CC=CC=C1CN(CC2=CC3=CC4=C(C=C3NC2=O)OCCO4)CC5=NN=NN5CC6=CC=CO6 1 2.491 6 5 0 -21.968397440742 1464423 C1COC2=C(O1)C=C3C=C(C(=O)NC3=C2)CN(CC4=CN=CC=C4)CC5=NN=NN5CC6=CC=CO6 1 1.357 7 4 0 -21.689463679464 1464396 CC1=CC=C(C=C1)CN(CC2=CC3=CC4=C(C=C3NC2=O)OCCO4)CC5=NN=NN5CC6=CC=CO6 1 2.994 6 4 0 -19.777767917175 1464336 C1CCC(C1)N2C(=NN=N2)CN(CC3=CC4=CC5=C(C=C4NC3=O)OCCO5)C6CCCC6 1 2.963 6 3 0 -24.4769400723641 1463915 CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=NN=NN3CC4=CC=C(C=C4)F)C5CCCC5)C 1 4.536 6 1 0 -18.4832311588281 1463822 COC1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC=C4 1 2.613 6 4 0 -7.68066422349912 1463819 COC1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)OC 1 2.596 6 5 0 -7.44256052946811 1463791 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CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4 1 3.333 4 1 -3.28154941031321 1462209 CCN1C2=CC=CC=C2N=C1N3CCN(CC3)S(=O)(=O)CC 1 1.34 4 2 0 -15.3045268301748 1462207 CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=S)NCC(C)C 1 4.006 5 0 -10.3354909051793 1462205 CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=S)NC 1 2.815 5 0 -8.19238450678255 1462197 CN1C2=CC=CC=C2N=C1N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.883 4 2 -9.16536171792663 1462196 CN1C2=CC=CC=C2N=C1N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.424 4 2 -10.2754833830482 1462171 CN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC4=CC=C(C=C4)F 1 2.63 5 1 -0.471869950804964 1462125 COC1=CC=C(C=C1)C2=NSC3=C2N=CN=C3N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F 1 3.493 5 3 0 -8.1656007889313 1462058 COC1=CC=C(C=C1)C2=NSC3=C2N=CN=C3N4CCCCC4 1 3.62 4 1 4.46692435293699 1462044 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC4=C3SN=C4C5=CC=CC=C5 1 3.584 5 2 0 1.19660867539917 1461993 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC4=C3SN=C4C5=CC=CC=C5 1 4.087 5 1 1.60957488454331 1461992 C1CN(CCN1C2=NC=NC3=C2SN=C3C4=CC=CC=C4)C(=O)C5=CC=CC=C5 1 3.601 5 1 0.520895854985723 1460808 CC1=NC2=NC3=CC=CC=C3N2C(=C1)NC4=CC(=CC=C4)F 1 4.528 4 0 -0.409826797880693 1460804 CC1=NC2=NC=NN2C(=C1)NCC(C)C 1 2.062 5 0 -12.1772207430849 1460797 CC1=NC2=NC=NN2C(=C1)NCCC3=CC=CC=C3F 1 2.981 5 0 -11.147493233065 1460762 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.435 3 4 0 -15.0515298591622 1460740 C1CCC(CC1)NC(=O)C2(CCCC2)N(C3=CC=C(C=C3)F)C(=O)CC4=CC=CS4 1 5.404 2 2 -16.6659039453936 1460636 CN1C(=NN=C1SCC(=O)N(C)C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.252 5 3 0 -24.0997643691598 1460635 CCC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCN(CC4)C(=O)CC 1 3.703 4 1 -12.2759280994857 1460634 CCC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCN(CC4)C(=O)C5=CC=CC=C5 1 4.7 4 1 -9.98426689857316 1460629 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CSC3=NN=C4N3C(CC5=CC=CC=C54)(C)C 1 5.111 5 1 -6.43412270348195 1460624 COC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.194 2 4 -20.0543291408144 1460483 CCN1C(=NN=C1SCC(=O)NNC(=O)C2=CC=C(C=C2)C)C3CC3 1 2.23 5 2 0 -16.6747076392116 1460478 CC(C)(C)C1=CSC(=N1)NC(=O)CSC2=NN=C(N2C)C3CC3 1 2.964 5 1 -14.118850653951 1460473 CCOC1=CC=C(C=C1)N(CC(=O)NC2CCCC2)C(=O)C3=CC=C(S3)C 1 3.713 2 3 -11.5624641522339 1460465 CCN1C(=NN=C1SCC(=O)NNC(=O)C2=CC=CO2)C3=CC=CO3 1 1.44 5 4 0 -13.9055691902528 1460460 CCN1C(=NN=C1SCC(=O)NNC(=O)C2=CC=CC=C2)C3=CC=CO3 1 2.045 5 3 0 -14.4299595553199 1460454 CCN1C(=NN=C1SCC(=O)NNC(=O)C2=CC=C(C=C2)OC)C3=CC=CO3 1 2.029 5 4 0 -13.94988397043 1460450 CC1=CC(=C(C=C1)NC(=O)CSCC2=NC(=O)C3=NNN(C3=N2)CC4=CC=C(C=C4)F)C 1 2.968 6 2 0 -11.6889426377084 1460446 CCN1C(=NN=C1SCC(=O)NNC(=O)C2=CC=C(C=C2)OC)C3CC3 1 1.727 5 3 0 -17.0876738483557 1460401 CC1=C(C=C(C=C1)N(CC(=O)NC2CCCC2)C(=O)C3=C(ON=C3C)C)C 1 3.137 3 3 -16.0443692491458 1460399 CC1=C(SC(=C1C(=O)N)NC(=O)CN(CCC2=CC=CC=C2)C(=O)C3CC3)C 1 2.298 3 3 -16.5014887564577 1460398 CC1=CC(=CC=C1)N(CC(=O)NC2CCCC2)C(=O)C3=C(ON=C3C)C 1 2.65 3 3 -15.5215406176816 1460393 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CC1=CC=C(C=C1)CN2CCC(CC2)C3=NC4=C(N3)C=C(C=C4)Cl 1 4.966 3 0 6.29219210556519 1453037 CC1=CC(=NC=C1NC(=O)C2=CC=CC=N2)NC(=O)C3=CC=C(C=C3)OC 1 2.535 4 3 0 -9.01802265218915 1453036 COC1=CC=C(C=C1)C(=O)NC2=NC=C(C=C2)NC(=O)C3=CC=CC=N3 1 2.049 4 3 0 -9.84630945028539 1453033 COC1=CC=C(C=C1)C(=O)NC2=NC=C(C=C2)NC(=O)C3=NC=CN=C3 1 0.898 5 3 0 -11.1378874445706 1453030 C1CCN(CC1)C(=O)CN2CCC(CC2)C3=NC4=CC=CC=C4S3 1 2.984 3 1 -4.15177248626337 1453029 COC1=CC=C(C=C1)C(=O)NC2=NC=C(C=C2)NC(=O)C3CC3 1 1.865 3 3 0 -7.29970334625242 1453007 COC1=CC=C(C=C1)C(=O)NC2=NC=C(C=C2)NC(=O)C3=CC(=CC=C3)OC 1 2.755 3 4 0 -7.64807347193914 1453005 CC1=CC(=NC=C1NC(=O)C2=CC=CC=C2OC)NC(=O)C3=CC=C(C=C3)OC 1 3.241 3 4 0 -8.51385294357384 1452973 C1CCN(CC1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3 1 2.611 4 1 -4.43339409626129 1452967 COC1=CC=C(C=C1)CN2CCC(CC2)C3=NC4=C(N3)C=C(C=C4)Cl 1 4.464 3 1 5.87922589642105 1452950 C1CN(CCC1C2=NC3=C(N2)C=C(C=C3)Cl)CC4=CC=CC=C4 1 4.48 3 0 5.47737720078559 1452926 COC1=CC=C(C=C1)C(=O)NC2=NC=C(C=C2)NC(=O)C3=CC(=CC=C3)F 1 2.977 3 3 -5.77276614554787 1452924 COC1=CC=C(C=C1)C(=O)NC2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 2.977 3 3 -9.18245162603209 1452920 COC1=CC=C(C=C1)C(=O)NC2=NC=C(C=C2)NC(=O)C3=CC=CS3 1 2.724 3 3 -8.37255585838087 1452908 COC1=CC=C(C=C1)C(=O)NC2=NC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 2.806 3 3 -9.86698215472417 1452904 CC1=CC(=NC=C1NC(=O)C2=CC=CC=N2)NC(=O)C3CC3 1 1.645 4 2 0 -8.33276937689956 1452900 C1CC1C(=O)NC2=NC=C(C=C2)NC(=O)C3=NC=CN=C3 1 8.e-003 5 2 0 -10.4526341692811 1452892 COC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)NC(=O)C3CC3 1 1.865 3 3 0 -7.47231916789033 1452890 COC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)NC(=O)C3CC3 1 1.865 3 3 0 -8.0201511181513 1452886 C1CC1C(=O)NC2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 2.086 3 2 -8.49719835074249 1452875 CC1=CC(=NC=C1NC(=O)C2=CC=CC=N2)NC(=O)C(C)C 1 2.017 4 2 -12.4205241302922 1452866 CC(C)C(=O)NC1=NC=C(C=C1)NC(=O)CCC2=CC=CC=C2 1 2.744 3 2 -14.3530474524456 1452858 CC(C)C(=O)NC1=NC=C(C=C1)NC(=O)C2=CN=CC=C2 1 1.102 4 2 0 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CC(C)C1=CC=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CSN=N3 1 3.837 4 2 -16.5204901240292 1452390 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CCCCC3 1 2.799 2 4 -18.8336495701695 1452385 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CS3 1 1.934 2 4 0 -21.9004159756251 1452376 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CCCCC3 1 3.302 2 3 -18.4206833610254 1452372 CCC1=CC=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CSN=N3 1 3.585 4 2 -17.4600879345668 1452367 CC(=O)C1=CC(=CC=C1)N2C(=NN=N2)SCC(=O)NNC(=O)C3CCCCC3 1 1.895 6 3 0 -23.9064451047999 1452362 CC(C)N1C(=NN=N1)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.492 6 3 0 -20.8243860692398 1452356 CC(C)N1C(=NN=N1)SCC(=O)NNC(=O)C2CCCCC2 1 1.305 6 2 0 -20.5035457501209 1452354 CC(C)N1C(=NN=N1)SCC(=O)NC2=CC=CC=C2F 1 1.792 5 1 0 -20.0976787825064 1452353 CC(C)N1C(=NN=N1)SCC(=O)NC2=CC(=CC=C2)F 1 1.792 5 1 0 -17.0518219698623 1452351 CC(C)N1C(=NN=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3 1 1.361 5 3 0 -24.4131451980674 1452350 CC(C)N1C(=NN=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3 1 1.354 5 3 0 -21.7993972007546 1452344 CC(C)N1C(=NN=N1)SCC(=O)NC2CCCC2 1 1.412 5 1 0 -22.0723221078132 1452340 CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=NN2C(C)C 1 3.178 4 1 -13.7053180197627 1452339 CC1=CC(=C(C=C1)C(=O)CSC2=NN=NN2C(C)C)C 1 3.178 4 1 -11.5810693914627 1452330 CCC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=NN=NN2C3=CN=CC=C3)C 1 1.559 7 2 0 -27.6586084606893 1452324 C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NN=NN3C4=CN=CC=C4 1 2.853 6 2 0 -23.1365853383316 1452284 CC1=C(C=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CSN=N3)C 1 3.615 4 2 -17.5327702929326 1452275 CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NNC(=O)C3=CC=CO3)C 1 2.061 6 3 0 -21.18324033492 1452274 CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)NNC(=O)C3=CC=CO3 1 2.061 6 3 0 -22.5736871671352 1452271 CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NNC(=O)C3=CC=CO3)C 1 2.061 6 3 0 -23.7628220239498 1452263 CCCN1C(=NN=N1)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.638 6 3 0 -24.0387420122212 1452258 CCCN1C(=NN=N1)SCC(=O)NNC(=O)C2=CC=CO2 1 0.384 6 3 0 -24.9906670330609 1452257 CCCN1C(=NN=N1)SCC(=O)NNC(=O)C2CCCCC2 1 1.451 6 2 0 -23.7179016931023 1452251 CCCN1C(=NN=N1)SCC(=O)N2CCCC3=CC=CC=C32 1 2.469 5 1 -24.7275761770846 1452245 CCCN1C(=NN=N1)SCC(=O)N2CCCCC2 1 1.279 5 1 0 -23.4731422135306 1452244 CCCN1C(=NN=N1)SCC(=O)N2CCCC2 1 0.823 5 1 0 -23.1186736993625 1452242 CCCN1C(=NN=N1)SCC(=O)NC2CCCC2 1 1.558 5 1 0 -25.2866780507946 1452234 CCN1C(=NN=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC 1 1.818 6 2 0 -21.0790288267913 1452230 CCN1C(=NN=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3 1 0.984 5 3 0 -27.1449350674023 1452225 CCN1C(=NN=N1)SCC(=O)N2CCCCC2 1 0.755 5 1 0 -22.9905761398841 1452223 CCN1C(=NN=N1)SCC(=O)NC2CCCC2 1 1.034 5 1 0 -24.8041119771481 1452222 CCN1C(=NN=N1)SCC(=O)C2=CC(=CC=C2)OC 1 1.812 4 2 0 -17.2765919338058 1452219 CC1=NC(=CC=C1)NC(=O)CSC2=NN=NN2C 1 0.531 6 1 0 -18.8021454724466 1452213 CC1=C(SC(=N1)NC(=O)CSC2=NN=NN2C)C 1 0.285 6 1 0 -20.5542880800006 1452205 COC1=C(C=C(C=C1)Cl)C(=O)CSC2=NN=NN2C3CCCCC3 1 3.986 4 2 -21.4183679499218 1452190 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4 2 -6.14366664626647 1451764 CN(C1=NN=C(S1)C2=CC=NC=C2)C(=O)CCC3=CC=CC=C3 1 2.56 4 1 -4.85926325829571 1451751 CN(C1=NN=C(S1)C2=CC=NC=C2)C(=O)C3=CC(=CC=C3)OC 1 2.052 4 2 -3.16968011519253 1451750 CC1=CC=C(C=C1)C(=O)N(C)C2=NN=C(S2)C3=CC=NC=C3 1 2.555 4 1 -2.65539817800824 1451740 CN(C1=NN=C(S1)C2=CC(=CC(=C2)OC)OC)C(=O)C3=CC=NC=C3 1 2.036 4 3 0 -5.63242600967283 1451687 CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C#N 1 3.314 4 2 -10.2508440010676 1451680 CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=C(C=CC(=C4)C)C=C3C#N 1 3.595 4 2 -11.6091357187428 1451675 CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4)C#N)C 1 3.595 4 2 -11.5363173939131 1451669 CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4)C#N)C 1 3.595 4 2 -13.792965424494 1451589 CC1=CC=C(C=C1)C2=NN=C(S2)N(C)C(=O)C3=CN=CC=C3 1 2.555 4 1 -3.5613157430394 1451550 CN(C1=NN=C(S1)C2=CC=C(C=C2)F)C(=O)C3=CC=CO3 1 2.82 3 2 -1.5670610388658 1451544 C/C=C/C(=O)NC1=NN=C(S1)C(C)C 1 1.914 3 1 0 -10.2111825126508 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1 2.583 5 1 -4.33730355327792 1445317 CCC1=CC2=C(C=C(C=C2)C)NC1=S 1 4.012 1 0 -1.56892007145354 1445311 CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NNC(=O)C4=CC=CO4 1 2.532 6 3 0 -10.469781998214 1445305 CCC1=CC2=CC=CC=C2NC1=S 1 3.526 1 0 -2.72766328721664 1445243 CC(C)N1C=C(C=N1)C(=O)N(CC(=O)NC2CCCC2)C3=CC=CC=C3OC 1 2.642 4 3 0 -17.6346744828692 1445210 CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4CCCC4 1 3.705 5 1 -15.0628849634213 1445173 CCOC1=CC=CC=C1C(=O)NC2CCNCC2 1 0.945 2 2 0 -12.6285125961573 1445167 C1CCC(CC1)C(=O)NC2CCNCC2 1 1.075 2 1 0 -8.85736157097173 1445166 C1CC1C(=O)NC2CCNCC2 1 -0.294 2 1 0 -12.2520401767115 1445157 COC1=CC=CC(=C1)C(=O)NC2CCNCC2 1 0.596 2 2 0 -11.3168325654951 1445148 C1CN(CCC1NC(=O)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O 1 1.44 2 5 0 -21.5993414031838 1445146 C1CCC(CC1)C(=O)NC2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O 1 1.867 2 5 0 -18.0219725369359 1445119 CC1=CC=C(C=C1)CN2C(=NN=N2)CN3CCC(CC3)NC(=O)C4=CC=CC=C4F 1 2.511 6 1 0 -21.5294245358463 1445102 CC1=CC=CC=C1C(=O)NC2CCN(CC2)CC3=NN=NN3C4CCCC4 1 2.124 6 1 0 -25.4645869928505 1445095 CCC(C)(C)N1C(=NN=N1)CN2CCC(CC2)NC(=O)C3=CC=CC=C3C 1 2.177 6 1 0 -16.9514994122634 1445087 CC1=CC=CC=C1C(=O)NC2CCN(CC2)CC3=NN=NN3C(C)(C)C 1 1.653 6 1 0 -16.1875610518801 1445078 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)NC3=CC(=CC=C3)F 1 1.629 3 4 0 -19.6494867736005 1445076 CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)NC(=O)COC 1 -0.413 2 5 0 -22.7996367079816 1445070 CC1CCC(CC1)NC(=O)CN2CCC(CC2)NC(=O)C3=CC=C(C=C3)C 1 2.805 3 2 -10.8150491740625 1445052 CC1=CC=CC=C1C(=O)NC2CCN(CC2)CC(=O)NCC3=CC=C(C=C3)F 1 2.483 3 2 -14.3697247178324 1445050 C1CN(CCC1NC(=O)C2=CC=CC=C2F)CC(=O)NCC3=CC=C(C=C3)F 1 2.203 3 2 -13.6960506845796 1445038 C1CCC(CC1)NC(=O)NC2CCN(CC2)C(=S)NCC3=CC=CO3 1 2.977 4 2 -17.3486047786467 1445028 CC1=CC=CC=C1C(=O)NC2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.057 3 4 0 -15.0042895280212 1444982 C1CN(CCC1C(=O)NCCC2=CC=CC=N2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.431 3 3 -19.5272492492547 1444978 CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)C3CC3 1 1.704 3 4 0 -14.5654908193613 1444975 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)C3CC3)Cl 1 1.704 3 4 0 -18.0310638867372 1444973 C1CC1C(=O)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl 1 1.218 3 4 0 -16.1936167891805 1444971 C1CN(CCC1C(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 2.002 3 3 -15.1713754218564 1444969 C1CC1C(=O)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 1.496 3 4 0 -14.3272491102701 1444961 C1CN(CCC1C(=O)NCC2=CC=NC=C2)S(=O)(=O)CC3=CC=CC=C3 1 1.067 3 3 0 -20.5528625299159 1444953 C1CN(CCC1C(=O)NCC2=CC=CO2)S(=O)(=O)CC3=CC=CC=C3 1 1.399 2 4 0 -22.1445664267107 1444898 CC(C)CC(=O)N(C1CCCC1)C2=NN=C(S2)C3=CN=CC=C3 1 3.181 4 1 -7.24645910730262 1444816 CC1=CC=C(C=C1)C2=NN=C(S2)N(C3CCCC3)C(=O)C 1 3.443 3 1 -1.69246845847638 1444809 CCCN(C1=NN=C(S1)C2=CC(=CC=C2)C)C(=O)C3=CC=CO3 1 3.973 3 2 -2.22104727754909 1444777 CC1=CC=CC(=C1)C2=NN=C(S2)N(C3CCCC3)C(=O)C 1 3.443 3 1 0.288101233232718 1444742 CCCN(C1=NN=C(S1)C2=CC=CC=C2C)C(=O)C3=CC=CO3 1 3.973 3 2 -3.9838933620544 1444625 C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NCC3=CC=CO3 1 1.675 1 5 0 -9.49137198301322 1444570 CC1=C(C(=CC=C1)C)NC(=O)NC2(CCCCC2)C(=O)NCC3=CC=NC=C3 1 3.339 4 2 -11.4608485436424 1444567 CC1=C(C(=CC=C1)C)NC(=O)NC2(CCCCC2)C(=O)N3CCOCC3 1 2.8 3 3 -9.91581627203247 1444566 CC1=C(C(=CC=C1)C)NC(=O)NC2(CCCCC2)C(=O)N3CCCCC3 1 4.029 3 2 -8.04715149595364 1444565 CC1=C(C(=CC=C1)C)NC(=O)NC2(CCCCC2)C(=O)N3CCCC3 1 3.573 3 2 -8.04715149595364 1444564 C1CCC(CC1)(C(=O)N2CCOCC2)NC(=O)NC3=CC=CC=C3Cl 1 2.492 3 3 -9.2834999876103 1444563 C1CCC(CC1)(C(=O)N2CCCCC2)NC(=O)NC3=CC=CC=C3Cl 1 3.721 3 2 -7.41483521153147 1444562 C1CCC(CC1)(C(=O)N2CCCC2)NC(=O)NC3=CC=CC=C3Cl 1 3.265 3 2 -7.41483521153147 1444561 CN1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)NC3=CC=CC=C3Cl 1 2.761 4 2 -4.95816716296596 1444550 COC1=CC=C(C=C1)NC(=O)NC2(CCCCC2)C(=O)N3CCCCC3 1 3.04 3 3 -6.70122686717271 1444549 COC1=CC=C(C=C1)NC(=O)NC2(CCCCC2)C(=O)N3CCCC3 1 2.584 3 3 -6.70122686717271 1444546 COC1=CC=CC=C1NC(=O)NC2(CCCCC2)C(=O)N3CCCCCC3 1 3.496 3 3 -10.9472142305129 1444543 C1CCC(CC1)(C(=O)N2CCOCC2)NC(=O)NC3=CC(=CC=C3)F 1 2.033 3 3 -6.36591976847695 1444542 CC1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)NC3=CC(=CC=C3)F 1 3.514 3 2 -7.48673292260578 1444536 CC1=CC=CC=C1NC(=O)NC2(CCCCC2)C(=O)N3CCOCC3 1 2.313 3 3 -11.8488570350287 1444534 CC1=CC=CC=C1NC(=O)NC2(CCCCC2)C(=O)N3CCCC3 1 3.087 3 2 -9.98019225894991 1444533 CC1=CC=CC=C1NC(=O)NC2(CCCCC2)C(=O)N3CCN(CC3)C 1 2.583 4 2 -7.52352421038439 1444530 CCNC(=O)NC1(CCCCC1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.068 3 4 0 -15.9723423201258 1444517 CC(C)OC(=O)CN1C(=O)C2=C(N=N1)N(N=C2)C3=CC=CC=C3 1 2.616 5 3 0 -17.4292494853188 1444467 COC(=O)CN1C(=O)C2=C(N=N1)N(N=C2)C3=CC=CC=C3 1 1.89 5 3 0 -15.5457480296016 1444356 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CN2C(=O)C3=C(N=N2)N(N=C3)C4=CC=C(C=C4)F 1 3.967 6 2 0 -15.7639326107879 1444351 CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(N=N2)N(N=C3)C4=CC=C(C=C4)F 1 3.357 6 3 0 -15.8028626390125 1444337 CC1=CC=CC=C1NC(=O)CN2C(=O)C3=C(N=N2)N(N=C3)C4=CC=C(C=C4)F 1 3.511 6 2 0 -17.1883660541526 1444200 CC(=O)NC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)C3=CC=C(C=C3)F)Cl 1 2.751 5 2 0 -3.01240191656221 1444144 CC(=O)NC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)NC3=CC4=C(C=C3)OCO4)Cl 1 1.694 6 4 0 -8.03606102958882 1444059 CC(=O)NC1(CCN(CC1)C(=O)C2=C(C=CC=C2F)F)C3=CC=C(C=C3)F 1 2.464 2 2 -6.82805605271237 1444048 CC(=O)NC1(CCN(CC1)C(=O)NC2=C(C=C(C=C2)F)F)C3=CC=C(C=C3)F 1 2.372 3 2 -5.20813346177434 1444042 CC(C)NC(=O)CN1CCC(CC1)(C2=CC(=CC=C2)F)NC(=O)C 1 0.915 3 2 0 -10.6360920803891 1443995 CC(=O)NC1(CCN(CC1)C(=O)C2=CC=CS2)C3=CC=C(C=C3)OC 1 1.785 2 3 0 -10.8300464119553 1443973 CC1CCN(CC1)C(=O)CN2CCC(CC2)(C3=CC=CC=C3)NC(=O)C 1 1.358 3 2 0 -10.3432222456646 1443918 CC1=CC2=C(C=C1C)N(C(=N2)CCN3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C 1 5.278 3 3 1.40340979700936 1443847 CC1=CC=C(C=C1)CN2C(=NN=N2)CN3CCC(CC3)NC(=O)C4=CC=C(C=C4)Br 1 3.054 6 1 0 -19.6007665765186 1443840 CCC(C)(C)N1C(=NN=N1)CN2CCC(CC2)NC(=O)C3=CC=C(C=C3)Br 1 2.439 6 1 0 -13.8256893632949 1443832 C1CN(CCC1NC(=O)C2=CC=C(C=C2)Br)CC(=O)NCC3=CC=CS3 1 2.28 3 2 -14.8040435365063 1443785 CC(C)(C)N1C(=NN=N1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.491 6 0 -13.0228993313507 1443692 C1CN(CCN1CC(=O)NC2=NC=CS2)C3=CC(=CC=C3)Cl 1 2.247 4 1 1.41954676624857 1443666 CCC1=NN=C(S1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)Cl 1 2.651 5 1 -7.44755929168234 1443660 C1CN(CCN1CC(=O)NCC2=CC=CS2)C3=CC=C(C=C3)Cl 1 2.997 3 1 -6.5939484920905 1443653 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.872 3 3 -8.46476382953574 1443644 C1CCN(C1)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)Cl 1 2.34 3 1 -0.898466940566269 1443637 CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=NC=C(S3)C 1 2.061 4 2 -4.93438266740344 1442952 COC1=CC=C(C=C1)N2CCN(CC2)CC3=NN=NN3C4CCCCC4 1 2.878 6 1 0 -14.9883404949983 1442940 C1CCC(CC1)N2C(=NN=N2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 4.418 6 0 -22.5845079780594 1442875 CC1=CC2=NC3=C(C=C2C(=C1)C)C(=C(S3)C(=O)N4CCC5=CC=CC=C5C4)N 1 4.666 3 1 -8.38501831529304 1442868 CC1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(C)C 1 5.296 2 1 -3.66555664422744 1442866 CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)C3=CC=C(C=C3)F 1 5.015 2 1 -2.95367961876219 1442863 CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 4.04 4 2 -10.0283527108594 1442861 CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 3.202 4 2 -15.5001577971411 1442829 CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=NC=CS3 1 3.187 4 1 -10.8345115364376 1442821 CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=C(C=C3)N(C)C 1 4.352 4 1 -11.6012619381571 1442817 CC1=NN=C(S1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(C)C 1 2.925 5 1 -15.9692661895652 1442810 CC1=CSC(=N1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(C)C 1 3.47 4 1 -10.508733421206 1442808 CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=NC4=C(S3)CCCC4 1 4.578 4 1 -12.681146301872 1442807 CC1=CC2=CC3=C(N=C2C(=C1)C)SC(=C3N)C(=O)N4CCOCC4 1 2.696 3 2 -8.11816867717991 1442803 CC1=CC(=NO1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(C)C 1 3.329 4 2 -18.1234907542112 1442755 CC1=CC=CC2=CC3=C(N=C12)SC(=C3N)C(=O)NC4=CC=C(C=C4)N5CCOCC5 1 3.742 4 2 -6.66804615510664 1442728 CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3CCCCC3 1 4.472 3 1 -12.4485046290148 1442725 CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3CCCC3 1 4.016 3 1 -12.0940361148467 1442723 CC1=CC=CC2=CC3=C(N=C12)SC(=C3N)C(=O)N4CCC5=CC=CC=C54 1 4.173 3 1 -10.4682698850547 1442716 CC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)N4CC(=O)NC5=CC=CC=C54)N 1 2.905 4 2 -10.6570792999476 1442698 CC(C)OC(=O)CSC1=NC(=NC2=CC=CC=C21)CC3=CC=CS3 1 4.51 2 2 -12.2272727372826 1442690 CC(C)NC(=O)CSC1=NC(=NC2=CC=CC=C21)CC3=CC=CS3 1 3.863 3 1 -17.6839903291984 1442685 CC(C)C1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)N4CCC5=CC=CC=C5C4 1 4.888 3 1 -8.41665558619067 1442664 CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)C3=CC=C(C=C3)OC 1 4.787 2 2 -3.90256969138723 1442659 CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)C3=CC=C(C=C3)F 1 5.009 2 1 -2.77772645677784 1442655 CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 4.034 4 2 -9.85239954887508 1442653 CCC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)N4CCC5=CC=CC=C54 1 4.629 3 1 -9.28844318920961 1442651 CC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)NC4=CC=C(C=C4)N5CCOCC5 1 3.742 4 2 -4.70368593347718 1442647 CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=NC=CS3 1 3.181 4 1 -10.6585583744533 1442646 CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CCC4=CC=CC=C4C3 1 4.471 3 1 -13.2694598255794 1442641 CC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)NC4=CC=CC=C4N5CCOCC5 1 3.742 4 2 -6.0597147056188 1442634 CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=NC4=C(S3)CCCC4 1 4.571 4 1 -12.5051931398876 1442627 CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)NNC(=O)C3=CC=C(C=C3)OC 1 3.424 4 3 0 -11.9976271259049 1442626 CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)NNC(=O)C3CCCCC3 1 3.903 4 2 -10.3493065951701 1442618 CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N(C)C 1 3.301 4 3 0 -14.3350565298832 1442599 CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC=NC=C3)C4=CC=CS4 1 2.997 4 0 -4.38847249331357 1442591 COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CO3)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.017 4 4 0 -3.60520444839422 1442575 CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3CCCC3 1 4.009 3 1 -11.9180829528624 1442570 CCC(C)(C)NC(=O)CSC1=NC(=NC2=CC=CC=C21)CC3=CC=CC=C3 1 4.638 3 1 -14.6608297814236 1442567 CC(C)OC(=O)CSC1=NC(=NC2=CC=CC=C21)CC3=CC=CC=C3 1 4.557 2 2 -12.0930550482824 1442565 CCOC(=O)CSC1=NC(=NC2=CC=CC=C21)CC3=CC=CC=C3 1 4.179 2 2 -12.0188740074577 1442564 COC(=O)CSC1=NC(=NC2=CC=CC=C21)CC3=CC=CC=C3 1 3.831 2 2 -11.1959398693905 1442560 C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)CC5=CC=CC=C5 1 5.165 2 3 -8.88279089543097 1442558 CC(C)NC(=O)CSC1=NC(=NC2=CC=CC=C21)CC3=CC=CC=C3 1 3.91 3 1 -17.5497726401981 1442557 CCN(CC)CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)C3=CC=CS3 1 4.181 2 2 -15.6555661844382 1442555 CCN(CC)CC(=O)NC1=C(C2=C(S1)CCC2)C(=O)C3=CC=CC=C3C 1 4.258 2 2 -15.431418686242 1442554 CCN(CC)CC(=O)NC1=C(C(=C(S1)C)C)C(=O)C2=CC=C(C=C2)C 1 3.962 2 2 -9.82789897291948 1442550 CCC1=CC(=C(S1)NC(=O)CN(CC)CC)C(=O)C2=CC=C(C=C2)Br 1 4.405 2 2 -9.3131055780921 1442549 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1421083 C1=CC(=CN=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.155 6 2 0 -5.64191391136757 1421077 CC1=CC(=CC=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 3.217 2 4 -4.91430850340292 1421034 COC(=O)C1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 2.586 2 6 0 -11.0897040887182 1421019 CC1=CC(=NC2=NC(=C(N12)Br)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])C 1 4.025 6 2 0 -1.52464914498328 1420986 CCN1C(=C(C2=C1C=CC(=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC)C 1 4.354 2 6 0 -9.3521896586632 1420975 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NN=CC3=CC=CC=C3[N+](=O)[O-] 1 2.929 3 6 0 -11.1370336657875 1420966 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-] 1 5.173 3 4 0 6.03122456665668 1420946 CC1(C2(CN3CC1(CN(C2)C3C4=CC(=C(C=C4)O)O)[N+](=O)[O-])[N+](=O)[O-])C 1 2.117 4 6 0 -1.66014139621617 1420934 CC(C)C12CN(CC(C1=O)(CN(C2)C(=O)C3=CC=CC=C3[N+](=O)[O-])C(C)C)C(=O)C4=CC=CC=C4[N+](=O)[O-] 1 3.75 4 7 0 -10.5377326944835 1420928 CC(=O)N1C2=CC=CC=C2N(C(=O)C1(C)C)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.442 3 4 0 -4.94800348931726 1420909 CN1C(=C(N=C1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br)Br 1 3.012 3 4 0 -7.76380760579775 1420890 C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC=C(C=C3)F 1 2.937 2 4 -6.38542405627461 1420887 CC1=NC=C(C=C1)C(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.914 4 4 0 -6.71320569165349 1420880 C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=C(C=C4)[N+](=O)[O-] 1 3.804 4 3 0 -10.8627544024949 1420848 COC1=CC=C(C=C1)NC2=NC(=O)C3=C(S2)C=CC(=C3)[N+](=O)[O-] 1 3.485 3 4 0 -4.35466097883818 1420844 COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4[N+](=O)[O-] 1 4.154 3 4 0 -7.71671724560295 1420838 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCC3)F)C(=O)NN=CC4=CC=CC=C4[N+](=O)[O-] 1 3.452 5 4 0 -3.93819480829537 1420831 COC1=C(C=C(C=C1)C2=NC(=CC(=O)O2)C3=C(C(=CC=C3)[N+](=O)[O-])O)OC 1 2.932 2 7 0 -6.0497410324232 1420827 CC1=NC(=CN1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])[N+](=O)[O-] 1 2.078 4 5 0 -7.28683237197965 1420796 CC(=O)N(C1=NC(=CN1N=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)C 1 3.061 5 4 0 0.430404324613163 1420762 C1CCC(=CC1)CCNC(=O)COC2=C3C(=CC(=C2)[N+](=O)[O-])C=CC=N3 1 3.281 3 4 0 -14.1755123166087 1420720 CCSC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4=CC=C(C=C4)OC 1 4.158 3 2 -22.153756604274 1420710 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NN=CC3=CC=CC=C3[N+](=O)[O-] 1 2.924 7 2 0 -2.00387661947177 1420690 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=C(S3)C)C4=CC=CC=C4 1 5.275 5 1 -8.49287950094485 1420660 CC1=CC=CC=C1OCC(=O)NC2=C(C3=C(S2)C(NC(C3)(C)C)(C)C)C#N 1 3.67 3 2 -24.1160848120267 1420655 C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NN=CC4=CC=C(C=C4)F 1 3.583 5 0 6.74480362832317 1420615 CCN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.29 5 2 0 7.63883636696475 1420610 C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C3=CC(=CC=C3)[N+](=O)[O-])O 1 1.485 3 5 0 -4.89882541609241 1420608 CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-])Br 1 3.246 3 4 0 -7.77937259931418 1420601 CC(C)CC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=C(C=C4)Cl 1 6.221 5 2 0 3.84410614588699 1420598 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)COC4=CC=C(C=C4)OC 1 3.335 3 5 0 -6.04865339129544 1420556 CC1=CC=CC(=C1)C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 4.068 4 1 -3.23959914455415 1420505 CC1(CC2=C(C(N1)(C)C)SC(=C2C#N)NC(=O)COC3=CC=C(C=C3)Cl)C 1 3.848 3 2 -22.3709433809836 1420474 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)COC4=CC=CC=C4 1 3.854 3 3 -5.3207386777154 1420471 CC1=CC=CC=C1C(=O)NC2=NN=C(S2)CC(=O)NN=CC3=CC=CO3 1 2.264 5 3 0 -16.7771444906934 1420451 C1=CC=C(C(=C1)CC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F)F 1 3.367 4 1 -9.799931647011 1420427 CC1(C2(CN3CC1(CN(C2)C34CCCC4)[N+](=O)[O-])[N+](=O)[O-])C 1 1.852 4 4 0 -4.42405885987032 1420420 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=CC3=CC=CO3 1 1.49 4 4 0 -19.1627166216579 1420414 CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2N4C=C[N+](=C4)CC5=CC=CC=C5 1 6.045 5 2 0 3.62186570469669 1420412 CCOC(=O)C1=CC=CC=C1OCC2=C(C=CC(=C2)C=NNC(=O)C3=CC=NC=C3)OC 1 3.287 3 5 0 -12.6266957774575 1420397 COC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.338 4 3 0 6.5912153910835 1420394 CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3=CC=CC=C3)C(=O)C4=CC=CS4 1 4.226 2 2 -9.69342086675993 1420366 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CCN2C3=CC=CC=C3C4=CC=CC=C42 1 4.433 3 4 0 -8.62836746107905 1420362 CC1=CC=CC=C1NC(=O)C2=C(C3=C(C4=C(CCCC4)N=C3S2)C5=CC=CO5)N 1 4.989 3 2 -7.23976169718021 1420359 COC1=C(C=C(C=C1)C=NNC(=O)C2=NC(=CC=C2)C(=O)NN=CC3=CC(=C(C=C3)OC)OC)OC 1 3.177 5 6 0 -12.8492742107625 1420349 CCOC(=O)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2F 1 3.678 3 5 0 -6.58104883464474 1420346 COC1=C(C=C(C=C1)CC(=O)NNC2=NC3=CC=CC4=C3C2=CC=C4)OC 1 2.789 3 3 -4.76151018239836 1420319 COC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4Br 1 5.008 2 2 -6.6338679389688 1420298 CCC(=O)N(CC1=CC2=CC=CC=C2NC1=O)C3=CC=CC=C3OC 1 2.773 2 3 -12.5774527454351 1420294 CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CC4=C(C=C3)OCCO4)CN5CCN(CC5)C)O 1 3.818 2 7 0 1.36969819584767 1420281 C1CCN(CC1)C2=NC3=CC=CC=C3C=C2/C=C\4/C(=O)NC(=S)S4 1 4.026 3 1 6.14880926970981 1420272 CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2N4C=C[N+](=C4)CCC(C)C 1 6.042 5 2 0 2.02210745530017 1420263 CC(C)COC1=CC=C(C=C1)CNC(=S)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 4.884 4 3 0 -12.4563327962854 1420255 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=NN2)CN3C=C(C=N3)[N+](=O)[O-] 1 1.53 7 4 0 -14.8186732736064 1420250 COC1=C(C=C(C=C1)C=NNC(=O)C2=CN=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-] 1 2.977 4 5 0 -11.8057838777562 1420246 C1=CC(=CC=C1NC2=NC(=O)C3=C(S2)C=CC(=C3)[N+](=O)[O-])Br 1 4.25 3 3 -3.57635582420866 1420199 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=C/C(=C/C3=CC=CC=C3)/C 1 2.902 4 3 0 -20.3276443518483 1420133 CCOC(=O)CON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=C(C=C3)Br)[O-] 1 2.434 2 5 0 -11.561993975987 1420087 C1COC2=C(O1)C=C(C(=C2)Br)N=CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.855 2 4 2.78865976865554 1420064 C1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)NNC(=O)C4=CC=CC=C4C(=O)O 1 3.483 3 4 0 -11.7662218467464 1420014 CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C)OC 1 3.363 1 3 -10.6134103691628 1419985 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)Br 1 4.216 3 2 -7.36814423341355 1419982 CC1=C(C=C(C=C1)C2=CC=C(O2)C=NNC(=O)CSC3=NN=C(S3)C)Cl 1 4.167 4 2 -13.6834894019526 1419981 CC1(CC(=O)C(=CNCC2CCN(CC2)C(=S)NC3=CC(=CC=C3)Cl)C(=O)C1)C 1 4.25 3 2 -17.9232673707384 1419951 COC1=CC=CC=C1C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CS4 1 3.469 3 3 -10.6171099256764 1419903 CC1=C(C=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-])C 1 3.703 2 4 -6.95247464484738 1419886 CC1=CC(=CC=C1)N2C(=O)C3=CC4=C(CC(OC4)(C)C)N=C3N=C2SC 1 3.645 3 2 -14.065601789657 1419882 C1=CC2=C(C(=C1)NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)Cl)/C#N)N=CC=C2 1 4.977 3 2 -8.80179187958116 1419861 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/C#N 1 4.397 2 5 0 -17.0924360121158 1419845 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=CC3=CC=C(S3)Br 1 2.617 4 3 0 -16.7546770204962 1419834 C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCO4 1 4.713 3 3 -8.55117217691604 1419822 CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)CN5CCCCC5)O 1 4.48 3 3 6.01297863083868 1419810 CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.656 3 3 -6.70726204080652 1419787 C[C@@H](C(=O)O)NC1=C2C3=C(CCC3)SC2=NC=N1 1 2.352 3 2 -10.9845666029123 1419747 CC1=CC=CC=C1N2C(=C(C(=O)N=C2SCC(=O)N3CCOCC3)CC4=CC=CC=C4)O 1 4.05 3 4 0 -19.3370549338584 1419697 CC1=CC=CC2=NC(=CN12)CSC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-] 1 3.713 4 2 -4.48012984243401 1419640 CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)OC)(C)C 1 3.946 2 3 -3.98062332633074 1419587 C1=CC=C(C(=C1)C=NNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)F 1 3.583 5 0 7.13954660394909 1419588 CC1(CC2=C3C4=C(C(=NN=N4)NCCN5CCOCC5)SC3=NC(=C2CS1)N6CCOCC6)C 1 2.231 7 2 0 -12.1066760365494 1419610 C1=CC=C(C=C1)C2=NC3=C(C(=C2)C4=CC=C(C=C4)Cl)C(=C(S3)C(=O)[O-])N 1 3.57 2 2 0.892127534513291 1419600 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=C(C=C(C=C3)Cl)Cl)CCCN4C=CN=C4 1 3.832 4 1 2.46373021793103 1419558 C1CN(CCN1CC2=CC=C(C=C2)Cl)CC(=O)NN=CC3=CC(=CC=C3)F 1 3.435 4 1 2.26925855555113 1419555 COC1=CC(=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-])OC 1 4.321 4 4 0 3.76968999593476 1419547 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2O)CN3C=C(C=N3)[N+](=O)[O-] 1 2.552 5 5 0 -10.9566206961315 1419534 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)COC4=CC=C(C=C4)OC 1 3.838 3 4 0 -5.22233444907789 1419522 CC1=CC=CC=C1OCC2=NC3=CC=CC=C3C(=O)N2N=CC4=CC(=CC=C4)[N+](=O)[O-] 1 4.56 4 4 0 -5.91237627637796 1419485 CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NNC(=O)CC4=CC(=C(C=C4)OC)OC 1 2.873 6 3 0 -4.19126747668339 1419478 C1=CC=C(C(=C1)OCC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F)F 1 3.168 4 2 -7.77110863411766 1419418 C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NCC4=CC=CC=C4)N)C(=O)C1 1 2.605 3 2 -15.3869061037582 1419326 CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=O)C3=CC=NN3)OC)C)[N+](=O)[O-] 1 1.958 7 4 0 -10.5056928146823 1419318 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)N(C(=N5)C)C 1 4.987 5 0 -0.887029595468061 1419254 CCOC(=O)C(=NNC1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=C(C=C3)OC 1 4.385 5 3 0 -1.106260667789 1419249 CC1=CC=CC(=C1)C=NN2C(=NNC2=S)C3CCCCC3 1 4.695 4 0 -1.96563839490756 1419219 C1=CC=C(C=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)[O-] 1 4.774 2 4 -4.11085613321236 1419214 CCOC(=O)CON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=C(C=C3)OC)[O-] 1 1.669 2 6 0 -12.2692561819815 1419203 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NN=CC3=CC=C(S3)Br 1 3.087 4 1 -0.600536932609123 1419200 C1CN(CCN1C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl)C(=O)CCCC(=O)O 1 4.329 4 3 0 0.920630399874465 1419152 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N3CCCCC3 1 3.964 2 2 -14.9932108912736 1419129 C(CC(=O)O)C1=NNC(=S)NC1=O 1 -4.7e-002 3 3 0 -17.6560453830497 1419115 C1=CC(=CC(=C1)Cl)CC2=NNN=N2 1 1.998 4 0 0 -2.07689967830406 1419029 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=O)S2)CCC(=O)NC3=CC=C(C=C3)O 1 3.258 2 4 -0.26412805746648 1418997 COC1=CC=C(C=C1)CCN2C(=NC3=NC4=CC=CC=C4N=C32)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-] 1 5.012 6 5 0 -6.83851737516601 1418971 CC1=CC(=NC(=N1)NN=CC2=CC=C(O2)[N+](=O)[O-])C 1 1.533 5 3 0 -3.5063404520488 1418961 C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC=C(C=C3)Cl 1 3.396 2 4 -5.27530239115304 1418955 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C 1 4.005 2 6 0 -9.88149394316673 1418934 CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C=NNC(=O)C3=CC=NN3)OC)[N+](=O)[O-] 1 3.35 5 5 0 -12.5803726393827 1418929 C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC3=C(NC4=C3C=C(C=C4)Br)C(=O)O 1 3.624 3 6 0 -8.73580632371508 1418922 CC1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-] 1 5.488 3 3 8.90435149597676 1418917 CC1=NC=C(C=C1)C(=O)NN=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 2.914 4 4 0 -7.96615666352433 1418902 CC12CN(CC(C1=O)(CN(C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.334 4 7 0 -8.64739719027013 1418860 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=C(C=CC=C3Cl)Cl 1 4.911 4 1 -6.35505805173142 1418761 CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3N=C4C=CC=CC4=N3 1 4.984 4 4 0 -10.8992576324055 1418739 CCC1=CC(=C(S1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O 1 4.372 1 3 -13.2894592501011 1418715 CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)CCC2=CC(=C(C=C2)OC)OC)C 1 3.7 1 6 0 -12.4008272141732 1418697 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C4=CC(=C(C=C4)Cl)C(=O)O 1 4.35 5 3 0 -26.6847881250635 1418670 CC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NN=CC3=CC=CC=C3F 1 3.257 4 1 -0.573893955521136 1418622 C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] 1 4.59 4 5 0 4.97413928698815 1418621 C1CN(CCN1C2=CC=CC=C2)C(=S)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-] 1 5.396 3 3 1.58031969759923 1418595 CCN1C(=NN=C1SCC(=O)NN=C(C)C2=CC=NC=C2)C3=CC=C(C=C3)C 1 2.778 6 1 0 -13.3276970095371 1418588 CCSC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4=CC=CC=C4C 1 4.661 3 1 -21.821398114466 1418573 C1=CC(=C(C=C1Cl)Cl)C2=CC=C(O2)C=NNC(=O)CC3=NN=C(S3)N 1 3.386 5 2 0 1.06114053210217 1418539 COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)COC3=CC=CC=C3)OC 1 3.549 4 3 0 -8.88525023280042 1418530 CCN1C(=NN=C1SCC(=O)NN=CC2=CC=C(O2)C)C3=CC=C(C=C3)C(C)(C)C 1 4.403 5 2 0 -8.88493044698871 1418465 CC1=CC(=C2C(=C1)C3=C(C(N2C(=O)CN4C(=O)C5=CC=CC=C5C4=O)(C)C)SSC3=S)C 1 4.795 2 3 -22.3559013416523 1418401 C1CCC2=C(C1)C3=C(S2)N4C=NN=C4N(C3=O)CCC5=CC=CC=C5 1 3.753 4 1 -12.1302596117936 1418373 COC1=CC=C(C=C1)C=NNC2=NN3C=NN=C3C4=CC=CC=C42 1 2.57 6 1 0 -3.96371540560557 1418363 CC1=CC(=O)C2=C(N1CC(=O)NCC3=CC=CC=C3)C=CC(=C2)Br 1 3.472 2 2 -8.19689209559116 1418314 CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)/C=C/4\C(=O)NC(=O)N(C4=O)C5=CC=C(C=C5)Cl 1 5.527 4 3 0 -10.2205010507074 1418297 COC1=CC=C(C=C1)C=NNC(=O)C2=NC(=CC=C2)C(=O)NN=CC3=CC=C(C=C3)OC 1 3.21 5 4 0 -8.97009066118318 1418293 CC1=CC(=O)C2=C(N1CC(=O)NC3=CC=CC=C3OC)C(=CC=C2)OC 1 2.684 2 4 -9.5823154849019 1418252 CNC(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)N 1 2.729 5 2 0 -13.8761074375159 1418237 C1=CC(=C(C=C1Cl)Cl)NC(=S)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 5.387 4 2 1.04228604480345 1418231 CC1=CC=C(C=C1)NC2=NC(=O)C3=C(S2)C=CC(=C3)[N+](=O)[O-] 1 3.987 3 3 -3.94169476969404 1418224 COC1=CC=C(C=C1)OCC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)OC 1 3.335 3 5 0 -4.07353580845122 1418220 CC1=CC(=C2C(=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5N4)C)C 1 4.572 7 1 0 -9.6489788199455 1418205 COC1=CC(=C(C=C1)C=NNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)OC 1 3.345 5 2 0 6.53241475934226 1418188 COC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.165 4 2 4.32747765991575 1418153 CN(C)[C@@H]1CCC[C@H]1OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.328 1 2 -5.80389526396258 1418151 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)NCCN3CCOCC3)NC4=CC=C(C=C4)OC 1 2.464 7 3 0 -3.28781857087747 1418145 C1CCC2=C(C1)C(=O)C(=C(N2CC3=CC=CC=C3)O)C(=O)NC4=CC(=CC=C4)Br 1 4.969 2 3 -6.50344158172847 1418096 CCC1=C2CCCCC2=C(C(=S)N1)C#N 1 3.079 2 0 -6.2842097919685 1418095 CC1=NC(=C(N1CC(=O)C2=CC=C(C=C2)OC)Br)[N+](=O)[O-] 1 2.424 3 4 0 -4.27187449314887 1418089 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=CC=C3C(F)(F)F 1 5.151 4 0 -3.06794618884175 1418022 C1=CC=C(C(=C1)C(=O)NNC2=NC3=CC=CC4=C3C2=CC=C4)Br 1 3.535 3 1 0.118720494755672 1418060 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CN=CC=C3 1 2.02 5 2 0 -10.7907679900607 1418005 CSC1=CC=C(C=C1)C=NNC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)Cl 1 3.772 4 1 2.17818867743193 1417998 CC1=C(SC=C1)C=NNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.797 4 3 0 -18.0284987268205 1417928 CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)O)[N+](=O)[O-] 1 2.88 1 6 0 -6.02451693920873 1417926 C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)C4=COC(=O)C(=C4)Br 1 3.213 1 4 -5.6462006094159 1417899 CC1=C(C(=O)N2C(=N1)N=C(N2)CC(=O)O)[N+](=O)[O-] 1 -1.285 5 5 0 -12.4118207390823 1417873 CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)C4=CC=C(C=C4)OC 1 3.516 3 4 0 -28.8892334057787 1417861 CCC1=C(N(C(=NC1=O)SCC(=O)NC(C)(C)C)C2=CC=CC=C2)O 1 3.569 3 3 -20.3535083860718 1417857 CCOC1=C(C=C(C=C1)C=NN2C(=NNC2=S)COC3=CC=CC=C3)OC 1 3.898 4 3 0 -10.1794747214099 1417831 CC(=O)C1=CC(=CC=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 2.471 2 5 0 -10.2801442214594 1417813 COC1=C(C=CC(=C1)/C=C\2/C(=O)N=C(S2)N)O 1 1.738 2 3 0 -0.740888970395351 1417799 COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=CC=C3 1 3.567 2 4 -8.13563520451204 1417678 CC1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=NNC(=O)C4=CC=NC=C4 1 4.15 4 2 -6.12750900088278 1417677 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)NC)S(=O)(=O)N 1 2.902 5 4 0 -19.2454229091906 1417592 CC1=NN=C(C2=CC=CC=C12)NC3=CC4=C(C=C3)OCO4 1 2.623 3 2 -6.84971224182184 1417555 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.209 3 4 0 0.284815864119196 1417541 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3 1 2.502 2 3 -2.82589560067395 1417488 CN1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=C(C=C3)F)NC4=CC=C(C=C4)F 1 3.245 7 0 0 3.2112827154771 1417469 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NN=C(C)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.17 6 2 0 -3.38642903223377 1417404 CC1=C(C(=O)N2C=CSC2=N1)Br 1 0.847 2 1 0 -11.1055386009509 1417375 C1CN(CCN1)C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl 1 4.232 4 0 9.35603249942488 1417287 C1CN(CCN1CC2=CC=C(C=C2)Cl)CC(=O)NN=CC3=CC=CC=C3F 1 3.435 4 1 1.24810473506568 1417270 C1=COC(=C1)C=NNC(=O)C2=NNC(=C2)C3=CC=C(S3)Br 1 3.282 4 2 -2.74586640488534 1417264 C=CCN1C2=CC=CC=C2C(=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=CC=C5)S3)C1=O 1 3.561 4 3 0 -15.8159226926477 1417257 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)C(=O)NN=CC3=CC=CC=C3)C 1 3.228 4 3 0 -8.98654967169248 1417226 C1=CC(=CC(=C1)O)C=NNC2=CC=NC(=O)N2 1 1.236 4 2 0 -1.83256873627053 1417205 COC1=CC(=CC(=C1OC)OC)C=NNC2=NN3C=NN=C3C4=CC=CC=C42 1 2.538 6 3 0 -7.2330285808302 1417123 CC1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 3.217 2 4 -7.09730108173986 1417110 C1=CC=C2C(=C1)C=CC=C2NC3=C(C(=O)OC4=CC=CC=C43)[N+](=O)[O-] 1 3.639 2 4 -8.02403878857154 1417095 CCNC(=S)NN=CC1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)F 1 4.868 4 0 -6.01333501176257 1417040 CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.656 3 3 -5.82878185646917 1417035 CN1C2=C(N=C1SCC3=CC=C(C=C3)C(=O)O)N(C(=O)N(C2=O)C)C 1 2.196 4 4 0 -16.6151430058679 1417033 COC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)OC)O 1 3.279 3 5 0 -15.578145946328 1417031 COC1=C(C=C(C=C1)Br)C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 4.314 4 2 -3.10345986799821 1416995 CC(=O)OC1=C(C=C(C=C1OC)C=NN2C(=NNC2=S)COC3=CC=CC=C3)OC 1 3.317 4 5 0 -9.63034460705684 1416951 C1CC2=CC=CC3=C(C=CC1=C23)C4=NNC(=C4)C(=O)NN=CC5=CC(=CC=C5)[N+](=O)[O-] 1 4.769 5 3 0 -1.59619964792779 1416931 C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.882 2 4 -15.2618293419769 1416930 C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)O 1 4.011 2 3 -11.4166275140977 1416928 C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)O 1 4.011 2 3 -11.4166275140977 1416927 C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3O 1 4.011 2 3 -10.3297862669788 1416926 C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3O 1 4.011 2 3 -10.3297862669788 1416894 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)O 1 3.967 4 1 -1.24411714200004 1416750 CC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC=N2)Br 1 4.224 3 2 -5.59667939729004 1416738 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3 1 4.21 3 3 -23.1550872473298 1416734 C1=CC=C(C(=C1)/C=C\2/C(=O)NC(=O)S2)OCC(=O)NC3=CC=C(C=C3)F 1 2.767 2 4 0.285479551566327 1416733 COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 5.446 4 3 0 -6.96717653695825 1416712 C1=CC(=CC=C1NC(=O)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)Cl)F 1 2.92 3 4 0 -4.3028943302168 1416710 C1=CC(=CC=C1NC(=O)/C=C\2/C(=O)NC(=O)S2)F 1 1.414 2 3 0 1.0503557870522 1416706 COC1=CC=C(C=C1)NC(=O)/C=C\2/C(=O)NC(=O)S2 1 1.192 2 4 0 -7.44874475571863e-002 1416668 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=N)S2)C3=NC=CS3)OC 1 2.743 3 3 -8.34830996432001 1416665 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCCCCC2 1 3.771 2 4 -15.9671622539931 1416624 CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)CC(C)C)C 1 1.006 7 2 0 -15.7712522573539 1416571 CC1=CC=CC=C1CN2C3=C(N=C2NC4CCCC4)N(C(=O)NC3=O)C 1 3.044 5 2 0 -10.8710021275729 1416550 CC(C)N(CC1=CC2=CC=CC=C2NC1=O)C(=O)C3=CC=CO3 1 2.331 2 3 -10.3688080485681 1416532 CC1=C(SC2=C1CN(CN2C(=O)C3=CC=CC=C3)CC4=CC=CO4)C 1 3.878 2 2 -5.56050063240241 1416467 CCC1=CC=C(C=C1)NC2=NC=C3C(=N2)CC(CC3=O)(C)C 1 3.414 3 1 -10.0789941234664 1416331 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N3CCOCC3 1 2.232 2 4 -16.9744735501933 1416266 CC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NN=CC3=CC=C(C=C3)SC 1 3.594 4 1 0.356189986845107 1416257 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNC(=O)C3=CC=CC=C3Cl 1 3.544 3 4 0 -4.22913480169013 1416241 CCC1=NC2=C(C(=O)N1CC3=CC=CO3)SC4=NC5=C(COC(C5)(C)C)C=C24 1 3.272 3 3 -17.7723772372079 1416229 CCC12CN(CC(C1=O)(CN(C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.246 4 7 0 -10.3736716665285 1416207 CC1=CC(=NC(=C1C#N)SCC(=O)C2=C(C=C(C=C2)Cl)Cl)C 1 4.992 2 1 -5.41703019681256 1416166 CCOC(=O)C(=NNC1=CC=CC=C1)SC2=NN=NN2C3=CC=C(C=C3)C 1 4.28 6 2 0 -9.2063384514356 1416133 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 2.654 5 5 0 -20.1520868943697 1416113 CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3=CC=CC=C3)C(=O)C4=CC=CS4 1 4.226 2 2 -10.090539526104 1416063 C1CN(CCN1CC2=CC=C(C=C2)Cl)CC(=O)NN=CC3=CC=CS3 1 3.183 4 1 -1.37181799386128 1416037 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=N3)Cl 1 4.306 3 2 -10.6066591714453 1416003 CCC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-] 1 3.295 4 5 0 -7.17591325082758 1415944 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=CC=C2)C(=O)NN=CC3=CC=CC=C3 1 2.742 4 3 0 -9.98729417864307 1415938 C1CN(CCN1CC(=O)NN=CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Br 1 1.753 4 4 0 -18.7973776761725 1415832 CC1=CC(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.656 3 3 -4.04241329840156 1415822 CC1=C(C2=C(O1)C=C(C(=C2[N+](=O)[O-])O)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl 1 3.894 2 7 0 1.75143075477671 1415779 CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)C3=CC(=C(C=C3)OC)OC 1 3.035 0 8 0 -9.3598718370075 1415753 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 2.654 5 5 0 -17.9845583130482 1415737 CCC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)Cl)[N+](=O)[O-] 1 5.781 3 3 -1.98161076227675 1415723 CC12CN(CC(C1=O)(CN(C2)C(=O)C3=CC=CC=C3Br)C)C(=O)C4=CC=CC=C4Br 1 4.042 2 3 -7.25534465347236 1415680 CC1=NN=C2N1C3=CC=CC=C3N=C2OC4=CC=CC=C4 1 3.295 4 1 -1.44041360700133 1415522 CCN(CC)C(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=C(C=C3)Cl)C4=CC=CS4)N 1 5.479 3 1 -5.42857307483314 1415442 CCN(CC)C(=O)CSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)CC3=CC=CC=C3 1 4.574 3 3 -20.2299663988828 1415440 CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)NC3=NC4=CC=CC=C4C(=N3)C 1 4.028 5 1 -5.587420440445 1415429 C1=CSC(=N1)NC(=O)C(Cl)(Cl)Cl 1 1.625 2 1 0 -5.4223018012276 1415369 CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)[N+](=O)[O-])C 1 3.823 5 3 0 -11.4009233092047 1415361 CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)CN5CCC(CC5)C)O 1 4.937 3 3 1.68651808184707 1415332 CCN1C(=NN=C1SCC(=O)NNC(=S)NC2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl 1 5.203 6 1 0 -11.4545439449788 1415329 CC1=CC(=C(C=C1)OCC(=O)NN2C(=NC3=CC=CC=C3C2=O)C)C(C)C 1 3.384 3 3 -8.02654801622857 1415215 C1CCC(CC1)C2=NNC(=S)N2N=CC3=C(C=CC=C3Cl)Cl 1 5.538 4 0 -5.08109730208483 1415195 CC1=CC=CC(=C1)C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4 1 4.915 6 0 2.51619288257852 1415182 C1=CC=C2C(=C1)C=C(C(=O)N2)COC(=O)C3=CC=CS3 1 2.604 1 3 -10.4651852373381 1415171 C1=CC(=CC=C1NC(=O)CSC2=NN=C(O2)CCN)Br 1 1.219 4 2 0 -18.7396128865933 1415140 C1=CC=C(C(=C1)C=NNC(=O)CC2=NN=C(S2)N)OCC3=CC=C(C=C3)F 1 2.624 5 2 0 -3.8281738141638 1415108 CCC1=NN=C(S1)NC(=O)CCC(=O)N2CCC(CC2)CC3=CC=CC=C3 1 2.638 4 2 -16.7139926902446 1415087 COC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4 1 3.53 6 1 0 -3.97956526247839 1415074 CC1=CC=C(S1)C=NNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.456 4 3 0 -16.6538648693494 1415062 C1CN(CCC1C(=O)N)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Cl 1 1.859 3 5 0 0.372677192764308 1415059 CCC1=CC=CC=C1NC(=O)CCC(=O)NC2=NN=C(S2)C(C)C 1 2.757 4 2 -14.6460503169723 1415045 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC 1 4.243 2 3 -4.97366922047363 1415003 COC1=CC(=C(C=C1)C=NNC2=NC(=CS2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)OC 1 3.3 4 4 0 -8.2265039380698 1414991 CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=CC=CS4 1 5.615 5 1 -11.7999532947934 1414988 CC1(CC2=CC(=C(C=C2C3=NN=C(N31)C4=CC=C(C=C4)OC)OC)OC)C 1 3.857 3 3 -1.852329068595 1414959 CCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)C4=CC=CS4 1 4.701 4 1 -5.87639708379354 1414940 CC1=CC=C(C=C1)NC2=NC(=NC3=C2OC4=CC=CC=C43)C 1 3.877 3 1 5.90245990840567 1414939 CCCN1C2=C(C=C3C=C(C=CC3=N2)OC)C(=N1)NC(=O)C(C)C 1 3.71 4 2 -7.56493820920086 1414936 CCCC(=O)NC1=NN(C2=C1C=C3C=C(C=CC3=N2)C)CC 1 3.682 4 1 -8.19649815075647 1414914 CC1=CC(=CC=C1)OCCN2C=C(C3=CC=CC=C32)C=NNC(=O)C4=CC=NC=C4 1 4.15 4 2 -5.13306043826877 1414909 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 4.475 1 6 0 -11.9565086252933 1414750 CCCC1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC=CC=C2OC 1 1.798 4 3 0 -21.9628139600447 1414694 COC1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)NN 1 1.448 5 1 0 1.94221956513492 1414618 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=C/C(=C/C3=CC=CC=C3)/Cl 1 1.334 6 3 0 -22.0400909888176 1414593 CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3C)O 1 4.685 3 4 0 -19.2673672160861 1414561 C=CCN1C(=O)C2=C(NC1=S)SC=C2C3=CC=CS3 1 4.017 2 1 -10.626229513116 1414447 CCNC(=S)NN=CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3F 1 4.868 4 0 -6.94575487467563 1414432 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=CC3=CC(=C(C(=C3)OC)OC)OC 1 0.556 6 6 0 -25.1758766604355 1414401 CCN(CC)CCN1C(=NC2=C(C1=O)SC3=NC4=C(COC(C4)(C)C)C=C23)C 1 2.676 4 2 -16.7986414629357 1414396 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C5=CC=CC=C5N=C4C)C 1 4.991 2 5 0 -16.107663203674 1414353 CCOC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4 1 3.247 3 3 0.415529432668803 1413556 CC1=NC2=C(C(=N1)NC3=CC=CC=C3O)OC4=CC=CC=C42 1 3.148 3 2 8.34493636299096 1413518 CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(C)C)C 1 0.76 7 2 0 -17.2663236608477 1412812 C1COCCN1C(=O)CSC2=NN=C(N2N)C3=CN=CC=C3 1 -0.487 6 2 0 -16.4305280357726 1412811 C1=CC(=CC(=C1)Br)CSC2=NN=C(N2N)C3=CN=CC=C3 1 2.891 5 0 -8.26614265944758 1412810 C1=CC(=CN=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Br 1 2.891 5 0 -7.69087719039455 1412792 CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N3CCCC4=CC=CC=C43 1 3.57 5 1 -14.0724480162129 1412618 CC1=C(SC2=C1C(=NC=N2)SCC(=O)NCC(C)C)C 1 3.076 3 1 -16.514781581647 1410272 C1CCC2=C(C1)C(=O)C(=C(N2CC3=CC=CC=C3)O)C(=O)NC4=CC(=CC=C4)Cl 1 4.885 2 3 -5.21328886350836 1410264 CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC3=CC=CC=C3)OC 1 4.962 2 3 -9.81794083036989 1410258 CCN1C(=NN=C1SCC(=O)NNC(=S)NC2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 4.717 6 1 0 -11.6111980833522 1410254 CCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=COC=C3 1 0.411 5 1 0 -0.954939828619395 1410235 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)NC(=O)C)S(=O)(=O)NC 1 3.037 5 3 0 -16.4908080258785 1410155 CCN(CC)C(=O)CSC1=NC(=O)C(=C(N1C2=CC=CC=C2C)O)CC3=CC=CC=C3 1 5.06 3 3 -20.9084728348001 1410147 C1CCC(CC1)N2C(=NNC2=S)CSC3=NC4=CC=CC=C4S3 1 4.979 4 0 -9.24275759387298 1409946 CC1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=CS2 1 3.229 1 3 -7.7801572339925 1409877 CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)C 1 3.062 1 5 -10.2701679452714 1409857 C1=CC(=CN=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)O 1 3.231 2 2 -2.86561262528992 1409855 C1=CC=C(C=C1)C2=NN(C=C2C(=O)N3C4=CC=CC=C4N=N3)C5=CC=CC=C5 1 5.262 5 1 6.39880205783373 1409852 COC1=CC=CC(=C1)C=NNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.361 5 1 5.97926157448306 1409848 COC1=C(C=C(C=C1)C=NNC(=O)CN2CCN(CC2)CC3=CC=CC=C3)Br 1 3.298 4 2 -2.99910599392174 1409798 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCC(CC2)CC3=CC=CC=C3 1 3.101 4 2 -14.7347328661281 1409797 CC(C)CN1C2=C(C=C3C=C(C=CC3=N2)OC)C(=N1)NC(=O)C(C)(C)C 1 4.446 4 2 -11.4386043447711 1409721 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=CO4)CC5=CC=CC=C5Cl 1 4.498 6 5 0 -20.6720660979165 1409776 CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.048 4 2 -12.3534777417552 1409763 CC1=CC(=NC(=N1)ON=C(C)C2=CC=CC=C2)C 1 2.746 3 1 -3.16795221945668 1409753 CCN1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NC(=O)COC 1 2.296 4 2 -4.89212838996884 1409749 CC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=C(C=C4)OCO5 1 4.027 4 4 0 -2.71282209251012 1409689 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.427 3 3 -10.426613588322 1409656 C1CCN(CC1)CCC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.849 4 1 -4.64809883430769 1409300 C1=CC=C(C=C1)CCN2C(=CC(=O)NC2=O)N 1 0.879 3 2 0 -6.43964541074806 1407194 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 2.412 3 5 0 -10.4861786741633 1407193 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 2.064 4 4 0 -13.2329759900551 1403123 C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)NC3=CC=C(C=C3)F 1 3.017 4 2 -9.37833753662035 1403051 C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)N3CCN(CC3)CC4=CC=C(C=C4)F 1 3.187 5 2 0 -10.9416283025599 1403046 C1=CC=C(C=C1)P(=O)(CC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)C4=CC=CC=C4 1 5.327 2 2 -1.73841550585241 1402946 COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CS4)OC 1 3.526 4 4 0 -4.65866470148002 1402982 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.056 5 3 0 -16.6608087095417 1402903 CCCC1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC=CC=C2 1 1.815 4 2 0 -20.2504048246142 1402902 CCC1=CC=C(C=C1)NC(=O)CCC(=O)NC2=NN=C(S2)C(F)(F)F 1 2.715 4 2 -9.5005600341213 1402850 CC1=CC(=NN1)C2=NN=C3N2N=C(CS3)C4=CC=CC=C4Br 1 3.486 6 0 -3.92827581825916 1402846 C1COCCN1C(=O)C2=CC=CC=C2OC3=NN=NN3C4=CC=C(C=C4)C(=O)O 1 1.55 5 5 0 -16.8427256410636 1402777 CC1=CC=CC=C1OCC(=O)NC2=NN=C(S2)C3=CC=CO3 1 2.73 3 3 -6.80266002140562 1402776 C1CCN(CC1)CCC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Cl 1 3.185 4 1 -6.27564896928911 1402766 CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC4=CC5=C(C=C4)OCO5)C 1 4.52 4 4 0 -6.51505062177775 1402738 C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4 1 4.429 6 0 0.766511229509682 1402734 C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)NC3=CC=CC=C3 1 2.811 4 2 -10.246868700459 1402671 CCC(CC)C(=O)NC1=NN=C(S1)CCC2=CC=CC=C2 1 3.882 3 1 -10.9890217153785 1402670 CC1=CC(=NN1)C2=NN=C3N2N=C(CS3)C4=C(C=CC(=C4)OC)OC 1 2.705 6 2 0 -5.54806119871216 1402613 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3CCCC3 1 1.797 5 2 0 -15.6323299277675 1402571 CCCN1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NC(=O)COC 1 2.819 4 2 -5.37469446361533 1402540 CC1(C(=O)C(=C(N1C2=CC=CC=C2)N)C3=NC4=CC=CC=C4N3)C 1 3.385 4 1 3.89583236737168e-003 1402532 CC1=CC=C(C=C1)SCC(=O)NC2=NN=C(S2)C3=CC(=C(C=C3)OC)OC 1 3.86 3 3 -12.3169523936697 1402523 C1=CC=C(C(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)OCC(=O)O 1 4.647 4 5 0 -23.6295620014212 1402407 C1CN(CCN1C2=CC=CC=N2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F 1 1.42 6 2 0 -12.3139157296644 1402367 COC1=CC=C(C=C1)NC(=O)CCC(=O)NC2=NN=C(S2)C3CCCCC3 1 2.795 4 3 0 -10.5031807712297 1402347 CCCN1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NC(=O)C4=CC=CS4 1 4.701 4 1 -5.07990707127955 1402342 CN1C2=CC=CC=C2N=C1C3=C(N(CC3=O)C4=CC=CC=C4)N 1 2.795 4 1 -3.94120399093644 1402326 C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3N=CC4=C(C=CC=C4Cl)Cl 1 5.758 6 0 -0.459428120377101 1402301 CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NC4=C(C=C(C=C4)OC)OC 1 2.827 5 2 0 5.91932362010287 1402281 C1CN(C2=C1C=C(C=C2)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5Cl 1 5.796 3 3 -8.73915018294307 1402250 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C4C(=O)NC(=O)NC4=O 1 1.799 3 5 0 -8.37647796829423 1402246 CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC(=C(C(=C3)OC)OC)OC 1 2.716 6 3 0 -9.15264296119866 1402158 CC1=CC=C(C=C1)NC(=O)CCC(=O)NC2=NN=C(S2)C3CCCCC3 1 3.297 4 2 -10.0902145620856 1402124 CCCC1=CC(=O)N2C3=CC=CC=C3N=C2N1 1 2.541 3 1 -5.50583619996084 1402105 C1=CC(=CC=C1OCC(=O)NC2=NN=C(S2)C3=CC=NC=C3)F 1 1.903 4 2 0 -6.90616844535004 1402102 CC1=NC2=C(C(=N1)NC3=C(C=C(C=C3)OC)OC)OC4=CC=CC=C42 1 3.358 3 3 2.99610280266823 1402088 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=CO4)CC5=CC=CC=C5 1 3.834 6 5 0 -20.7085761588352 1402070 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.067 5 2 0 -15.2026196601084 1402024 C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3N=CC4=CC=CS4 1 4.383 6 0 -1.42894307264447 1401961 CC1=CC(=C(N1C2=CC=CC=N2)C)/C=C/3\C(=O)NC(=S)N(C3=O)CC=C 1 3.141 4 2 -9.13408057353453 1401960 COC(=O)NC1=NN=C(S1)C2=CC=CO2 1 1.387 3 3 0 -5.97121328881082 1401921 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NC2=CC(=C(C=C2)OC)Cl 1 2.462 4 3 0 -13.3605635008647 1401879 CC1=CC(=CC=C1)NC(=O)CCC(=O)NC2=NN=C(S2)C(F)(F)F 1 2.259 4 2 -7.37347634501309 1401793 CN1C2=C(N=C1NN=CC3=CC=CS3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)F)C 1 3.165 6 2 0 -6.64438841933469 1401745 CC1=CC=C(S1)C=NN2C(=NNC2=S)C3=NNC(=C3)C 1 2.864 6 0 -4.86285584240595 1401684 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F 1 3.004 5 2 0 -11.8831133442108 1401442 CN1C2=C(N=C1NN=C3CCCC4=CC=CC=C43)N(C(=O)N(C2=O)CC5=CC=C(C=C5)F)C 1 3.974 6 2 0 -8.48582498434618 1401432 CCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C 1 2.761 5 2 0 -14.4375105100722 1401401 COC1=C(C=C2C(=C1)C(=O)N=C(N2)NC(=O)C3=CC=C(C=C3)Cl)OC 1 2.905 3 4 0 -8.56983000192775 1401388 COC1=CC(=C(C=C1C=NN2C(=NNC2=S)C3=NNC4=C3CCC4)OC)OC 1 3.497 6 3 0 -8.32169857205934 1401376 CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=C(C(=CC=C3)OC)OC 1 2.732 6 2 0 -6.70375828789188 1401228 CC1=CC=CC=C1C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4 1 4.915 6 0 1.31030058274174 1401180 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CNC4=CC=CC=C43 1 4.742 4 1 -9.37290601259488 1401153 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=C(C=C2)Cl 1 2.479 4 2 -10.7037499528616 1401114 CC1=CC=C(C=C1)SCC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)OC 1 3.911 3 2 -11.8880204232847 1401110 CCOC(=O)CC1=NN=C(S1)NC(=O)CSC2=CC=C(C=C2)C 1 2.614 3 3 -15.9532603171393 1401068 CC1(CC2=C(C(C3=C(N2C)CC(CC3=O)(C)C)C4=CC=C(C=C4)OC)C(=O)C1)C 1 3.782 1 3 -15.6337954252721 1401057 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 2.983 5 2 0 -11.1497744918429 1401022 CCC1=CC=CC=C1NC(=O)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3 1 5.503 1 1 -6.30938982644343 1401000 COC1=CC=CC(=C1OC)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4 1 3.514 6 2 0 -5.01526558563595 1400999 CC1=CC(=C(C=C1)OC)NC(=O)CCC(=O)NC2=NN=C(S2)C3CCCCC3 1 3.281 4 3 0 -12.4864512422726 1400994 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=CC=C2F 1 2.265 4 2 -12.2855283869684 1400972 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)CC(C)C 1 3.291 5 2 0 -13.6526686858233 1400955 C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)F)NCC4=CC=CO4 1 3.167 4 3 0 -5.47678042134461 1400947 C=CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)C3=CN=CC=C3 1 2.646 4 3 0 -5.55336339744932 1400928 CC(=O)NC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4 1 2.893 5 3 0 -5.9895268314361 1400841 CC1=CC2=CC3=C(N=C2C=C1)N(N=C3NC(=O)C4=CC=CC=N4)CC(C)C 1 4.344 5 1 -7.31626739287554 1400831 CCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 2.275 5 2 0 -12.0435092605049 1400830 CN1C2=C(N=C1NN=C3CCCC4=CC=CC=C43)N(C(=O)N(C2=O)CC5=CC=CC=C5)C 1 3.768 6 2 0 -10.1809299116034 1400789 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC=CC=C2OC 1 1.805 4 3 0 -21.4883420810021 1400771 CCOC1=CC=C(C=C1)NC2=NC(=NC3=C2OC4=CC=CC=C43)C 1 3.723 3 2 4.91156714188731 1400717 CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CC3=CC=CC=C3)CCCC4=CC=CC=C4 1 3.183 5 3 0 -6.43297733573297 1400711 CC1=CC(=C(C=C1)OC)NC(=O)CCC(=O)NC2=NN=C(S2)C(F)(F)F 1 2.243 4 3 0 -11.6573585785292 1400670 C1C(=NN2C(=NN=C2S1)C3=CC(=NN3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl 1 5.066 6 0 3.63381350632125 1400652 CC1=NC2=C(C(=N1)NC3=CC=CC=C3F)OC4=CC=CC=C42 1 3.596 3 1 5.17166068779464 1400629 COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)CSC3=CC=C(C=C3)Cl)OC 1 4.073 3 3 -15.2197908936619 1400626 CC1=NC2=C(C(=N1)NC3=C(C=CC(=C3)OC)OC)OC4=CC=CC=C42 1 3.358 3 3 4.31106482157886 1400473 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC=C(C=C2)OC 1 2.05 4 3 0 -17.8790128464424 1400469 COC1=C(C(=C(C=C1)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4)OC)OC 1 3.497 6 3 0 -5.26326919368897 1400462 C1CN(CCN1CC2=CC=C(C=C2)F)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F 1 2.149 5 2 0 -10.3913093048794 1400460 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=N3 1 1.455 6 2 0 -16.0530143538133 1400342 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NC2=CC3=C(C=C2)C=NN3 1 1.458 6 2 0 -13.2008364628598 1400316 C1=CC(=CC=C1CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl)C(=O)O 1 4.252 4 2 -7.90707920598607 1400270 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Br)Br 1 5.701 3 3 -4.81018052601183 1400299 C1=CSC(=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl 1 3.666 3 1 -9.72545071112292 1400297 COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)CSC3=CC=C(C=C3)Cl)OC 1 4.038 3 3 -10.4949537030829 1400197 CC1=C(SC=C1)C=NN2C(=NNC2=S)C3=NNC(=C3)C 1 3.204 6 0 -6.15649737370854 1400163 CCC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=C(C=C2)Cl 1 2.016 4 2 -12.6830097769782 1400156 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.524 5 2 0 -12.3985618359157 1400151 CC1=CC=C(C=C1)CNC(=O)CCC(=O)NC2=NN=C(S2)C3CCCCC3 1 3.304 4 2 -16.5255839594291 1400145 C1C(=NN2C(=NN=C2S1)C3=CC(=NN3)C4=CC=CC=C4)C5=CC6=CC=CC=C6C=C5 1 5.31 6 0 6.26217635206044 1400132 CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=CSC(=N2)NN=CC3=CC=CO3 1 2.267 4 3 0 -3.18085109946737 1400099 CCC1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC=CC=C2Cl 1 2.023 4 2 -22.304017295392 1400074 CCOC(=O)CC1=NN=C(S1)NC(=O)COC2=CC=C(C=C2)OC 1 1.553 3 5 0 -16.0973090845913 1400064 CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3=CC=CC=C3)C(=O)C4=CC=CS4 1 4.226 2 2 -9.6215120883685 1400054 CC1=CC(=NN1)C2=NNC(=S)N2N=C/C(=C/C3=CC=CO3)/C 1 2.967 6 1 0 -6.86634214352189 1400028 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC=C(C=C3)OC 1 3.388 3 3 -11.3242132954188 1399978 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)NC2CCCCCC2 1 2.798 4 2 -15.6752385671358 1399968 COC1=CC(=C(C=C1)OC)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CS4 1 3.526 4 4 0 -3.34370268256939 1399940 C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)N3CCOCC3 1 1.128 4 3 0 -17.9450183997739 1399901 COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=CS3)OC 1 2.969 3 3 -17.114184771818 1399900 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=NC(=CC(=N3)C)C 1 0.754 7 2 0 -17.7407955398904 1399898 C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3N=CC4=CC(=CC=C4)Cl 1 5.094 6 0 3.97955699262438 1399896 CC1=CC=CC=C1NC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC 1 3.535 3 2 -8.35649699604554 1399856 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=C(C=C2)F 1 2.265 4 2 -10.3188002144894 1399783 C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)NCC3=CC=CC=C3 1 2.818 4 2 -17.3403988642087 1399755 CC1=CC(=C(C=C1)N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)CCl)C 1 3.627 2 2 -10.960017130437 1399699 CCSC1=NNC2=NC3=C(C(=O)N21)C4(CCCC4)CC5=CC=CC=C53 1 4.153 4 1 -14.1166215610547 1399679 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)/C=C/C3=CC=CO3)Br 1 4.832 3 3 -1.75563429661552 1399676 CC1=NC2=C(C(=N1)NC3=CC(=CC=C3)OC)OC4=CC=CC=C42 1 3.374 3 2 6.32984271329081 1399674 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC(=C(C=C3)OC(=O)C4=CC=CO4)OC)CC5=CC=CC=C5 1 3.817 6 6 0 -22.9364084958765 1399636 CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)C3=CC=CC=C3 1 3.529 3 3 -0.517021332918668 1399602 C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4 1 2.981 5 2 0 -12.4683202328048 1399583 COC1=CC=C(C=C1)NC2=NC=NC3=C2OC4=CC=CC=C43 1 3.418 3 2 7.14673387970119 1399576 COC1=CC=CC(=C1)NC2=C(C(=C(C(=C2F)F)F)F)C(=O)O 1 3.815 1 3 3.59882683587867e-002 1399528 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=N3)NN=CC4=CC=CO4 1 1.955 4 4 0 -11.3410343278415 1399519 CC1=CC2=C(C=C1)NC(=O)C(=C2)COC(=O)C3CCCCC3 1 3.599 1 3 -7.75395054340415 1399512 CC1=CC(=CC(=C1)NC(=O)CCC(=O)NC2=NN=C(S2)C(F)(F)F)C 1 2.745 4 2 -9.72531981419037 1399471 COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=C(C=C4)OCO5 1 3.524 4 5 0 -3.32630178910566 1399456 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=N3 1 1.461 6 2 0 -15.5785424747707 1399382 CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC=CO3 1 2.16 6 1 0 -6.19887484110245 1399377 CC1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3NC2=O)C(=O)C4=CC=CS4 1 4.226 2 2 -10.3499639941752 1399352 CC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC4=CC5=C(C=C4)OCO5 1 4.034 4 4 0 -6.31460366887094 1399275 CCCN1CCCC2=C1C=CC(=C2)/C=C/3\C(=O)NC(=S)N(C3=O)CC=C 1 4.151 3 2 -17.5993593465069 1399269 C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)F)NC4=CC=C(C=C4)C(=O)O 1 3.608 4 4 0 -2.51018419911333 1399251 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.278 5 2 0 -13.7549675604583 1399204 CC1=CC=C(C=C1)N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)CCl 1 3.141 2 2 -9.67314803902578 1399168 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 2.737 5 2 0 -12.6448458953367 1399164 CC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3CCNCC3 1 2.627 3 2 -14.6251935875034 1399081 COC1=CC(=C(C=C1)OC)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4 1 3.514 6 2 0 -5.01402055487837 1399080 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=C(C=C3)OC 1 2.664 3 2 -5.23709869983677 1399031 CCOC(=O)CC1=NN=C(S1)NC(=O)COC2=CC=C(C=C2)F 1 1.775 3 4 0 -14.8271892787824 1399024 COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)O 1 2.125 2 3 2.83991786236478 1399018 CC(C)C(=O)NC1=NN=C(S1)CCN2CCCCC2 1 1.986 4 1 0 -10.509606914736 1398881 CCN1C2=C(C=C3C=CC(=CC3=N2)C)C(=N1)NC(=O)C 1 2.559 4 1 -3.50758857963406 1398835 COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)O 1 2.907 4 3 0 -9.63353491592786 1398825 CC1=NC2=C(C(=N1)NC3=CC=C(C=C3)Cl)OC4=CC=CC=C42 1 4.055 3 1 7.91275519332629 1398789 C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3N=CC4=CC(=C(C=C4)Cl)Cl 1 5.758 6 0 2.04644478962027 1398699 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)NC2CCCCC2 1 2.341 4 2 -15.6752385671358 1398685 CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=C/C(=C/C3=CC=CC=C3)/Br)CCO 1 1.49 6 3 0 -11.7405697036468 1398680 CC1=CC=C(O1)C=NN2C(=NNC2=S)C3=NNC(=C3)C 1 2.305 6 1 0 -6.34129162088165 1398674 CC(C)CC(=O)NC1=NN(C2=C1C=C3C=C(C=CC3=N2)OC)CC(C)C 1 4.274 4 2 -8.34241340032786 1398662 CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC=C(S3)Br 1 3.286 6 0 -4.41003245373358 1398618 COC1=CC(=C(C=C1)NC(=O)CCC(=O)NC2=NN=C(S2)C(F)(F)F)OC 1 1.74 4 4 0 -13.8298002025233 1398586 CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)O 1 2.523 6 1 0 -3.15146990222164 1398561 CC(C)C(=O)NC1=NN=C(S1)CCN2CCOCC2 1 0.756 4 2 0 -12.9082131256481 1398560 C1=CC=C(C=C1)COC2=CC=C(C=C2)CC3(C(=O)NC(=O)NC3=O)CCC4=CC=NC=C4 1 3.681 3 4 0 -2.68826438899415 1398558 CCCC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=C(C=C2)Br 1 2.556 4 2 -12.6348815770057 1398539 CCCC1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC=CC=C2Cl 1 2.479 4 2 -20.7992293503181 1398485 COC(=O)C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Cl 1 2.712 2 6 0 -0.877516650641728 1398515 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.318 5 2 0 -13.233076377572 1398497 CC1=CC2=CC3=C(N=C2C=C1)N(N=C3NC(=O)C)C 1 2.21 4 1 -1.89799822734189 1398466 CC1CCN(CC1)C(=S)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N 1 4.153 6 1 0 -9.67493322455867 1398458 C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3N=CC4=CC=C(C=C4)Cl 1 5.094 6 0 3.0534851992291 1398421 CCC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=C(C=C2)OCC 1 1.684 4 3 0 -15.46589852521 1398372 CCCC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=C(C=C2)Cl 1 2.472 4 2 -11.1782218319043 1398360 C1OC2=C(O1)C=C(C=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)F 1 3.746 4 4 0 -2.20145855449627 1398356 CC1=CC(=NN1)C2=NNC(=S)N2N=C/C(=C/C3=CC=CC=C3)/C 1 3.571 6 0 -7.4459368298755 1398330 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.524 5 2 0 -12.2598961569645 1398293 C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)O)Cl 1 2.709 6 3 0 -17.3852127741682 1398263 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)Br 1 5.564 3 3 0.87910652705355 1398193 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC=CC=C2Cl 1 2.731 4 2 -18.8296860677817 1398153 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=CC=C3)Br 1 4.969 3 2 -4.56371872501626 1398147 CC(=NOCC(=O)NC1=NC2=CC=CC=C2S1)C3=CC=C(C=C3)OC 1 2.921 3 3 -2.96217468393894 1398128 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCC3(CC2)OCCO3 1 0.502 4 4 0 -21.5657482241891 1398121 CC1=NC2=C(C(=N1)NC3=CC=CC=C3)OC4=C2C=C(C=C4)Cl 1 4.055 3 1 8.26236295486493 1398113 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=N3 1 1.707 6 2 0 -14.0834710712769 1398111 C1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3NC2=O)C(=O)C4=CC=CS4 1 3.74 2 2 -11.0205770795354 1398096 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC=C(C=C2)F 1 2.027 4 2 -18.2492410153268 1398093 CC1=CC=C(C=C1)NC2=NC=NC3=C2OC4=CC=CC=C43 1 3.921 3 1 7.55970008884533 1398084 CN1C2=C(C(=O)NC1=O)N3CCCN(C3=N2)CC4=CC=CC=C4 1 1.242 5 2 0 -6.40735516057493 1398027 CC1=C(C(=O)N=C(N1)NC2=NC3=C(C=C(C=C3)OC)C(=N2)C)CCC(C)C 1 3.751 5 2 0 -9.16492559930071 1397993 C1COCCN1CCC2=NN=C(S2)NC(=O)C3=CC=CC=C3 1 1.291 4 2 0 -11.9428161918552 1397976 CC(=NNC1=NC2=C(N1CCO)C(=O)NC(=O)N2C)/C=C/C3=CC=CC=C3 1 1.116 6 3 0 -6.9081689741003 1397951 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCSC5=NC=CC=N5 1 2.34 8 2 0 -4.88519133111591 1397869 C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)N3CCC4(CC3)OCCO4 1 1.505 4 4 0 -18.6557422637836 1397860 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=CC=C3OC 1 3.032 3 3 -9.1547461186991 1397851 C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)N3CCCCC3 1 2.358 4 2 -16.0763536236951 1397839 CC1=CC=CC=C1CN2C3=C(N=C2NCC4=CC=C(C=C4)OC)N(C(=O)NC3=O)C 1 3.209 5 3 0 -11.5582346655389 1397815 C1CCCN(CC1)C(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=S 1 3.934 2 2 -15.1651547083579 1397809 COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CN=CC=C3)O 1 3.214 2 3 -3.68136337518089 1397770 CCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)C)C 1 2.494 5 2 0 -16.3654853308714 1397732 CC1=CC=C(C=C1)CC2=C(C(=C3NC4=CC=CC=C4N3C2=O)C#N)C 1 4.401 3 1 -6.89101269762144 1397611 COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3=CC=CC=C3)C(=O)C4=CN=CC=C4 1 2.619 3 3 -9.3489827219999 1397566 CNC(=S)N(C)CCC1=CC2=C(C(=C1/C=C\3/C(=O)NC(=O)N(C3=O)C)OC)OCO2 1 2.09 4 6 0 -7.18622779988232 1397552 CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3 1 4.473 4 2 -16.2333235934657 1397551 CC1=C(C(=NO1)C2=CC=CC=C2)C3=NNC(=S)N3C4=CC=CC=C4Cl 1 4.889 4 1 -2.44949990322028 1397543 CC1=NC(=NN1)SCC(=O)NC2=CC=NC3=CC=CC=C32 1 1.736 5 1 0 -11.7450742658693 1397542 CC1=NC(=NN1)SCN2C(=O)C3=CC=CC=C3C2=O 1 1.576 4 2 0 -3.76292979131838 1397526 CCOC(=O)C1=CC=C(C=C1)NP(=O)(C)OC2=CC=CC=C2 1 2.578 1 4 0.362680631782393 1397504 CC1=CC(=CC=C1)N(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C(=O)C4=CN=CC=C4 1 3.105 3 3 -9.19261237866123 1397416 C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)/C(=C/C4=C(NN=C4)C5=CC=CC=C5)/S3 1 4.291 5 1 -2.06775044515032 1397397 CC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3 1 3.863 3 3 -11.9096074539884 1397292 CCCN1N=C(N=N1)NC(=O)/C=C/C2=C(C=CC(=C2)Br)OC 1 3.263 5 2 0 -5.61850933815049 1397279 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CC=C5 1 4.019 5 2 0 -2.65931826059355 1397278 CN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)NC(=O)N3C 1 1.524 6 2 0 -5.62266154115947 1397276 C1=CC=C(C(=C1)C=NNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=N4)F 1 4.012 5 0 7.82852566125513 1397247 CC1=CC(=C(C=C1)N(CC2=CC3=C(C=C(C=C3)C)NC2=O)C(=O)C4=CC=CO4)C 1 4.64 2 3 -9.42815352380386 1397223 CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)CSC(=S)N3CCOCC3 1 3.174 6 1 0 -5.86076705642397 1397116 C1=CC=C2C(=C1)C(=CN2)CC3=NN=C(S3)NC(=O)C4=C(C=C(C=C4)Cl)Cl 1 4.67 4 1 -7.8505765825801 1397095 COC1=C(C=C(C=C1)C=NNC2=NC(=CS2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)OC 1 3.3 4 4 0 -13.0181418532776 1397086 COC1=CC(=C(C=C1)NC(=O)CCC(=O)NC2=NN=C(S2)C3CCCCC3)OC 1 2.778 4 4 0 -14.6588928662667 1397082 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NC5=CC=C(C=C5)C(=O)O 1 3.568 4 4 0 -3.39583682950985 1397053 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3CCCC3 1 2.048 5 2 0 -13.6627866452311 1397035 CCCN1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NC(=O)C4=CC=CC=N4 1 4.025 5 1 -6.55366066318407 1396986 CC(C)CC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.755 3 4 0 -20.980007280173 1396983 CCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=N3 1 0.999 6 2 0 -17.5578022988872 1396924 CC(C)CC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3 1 3.322 3 2 -13.9981430911256 1396643 CCN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)NC(=O)N3C 1 1.873 6 2 0 -6.9481495783506 1396640 C1CCN(CC1)C(=O)CC2=NN3C(=C(C(=O)N=C3S2)C=C4C=CC(=O)C=C4)N 1 1.68 5 3 0 -14.6162125453725 1396628 CC(C)OC1=CC=C(C=C1)CC2(C(=O)NC(=O)NC2=O)CCC3=CC=NC=C3 1 2.824 3 4 0 -3.33008235544963 1396578 COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2C3=C(C=CC(=C3)C(F)(F)F)Cl 1 5.236 3 3 -0.760407068586568 1396566 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC 1 4.115 3 3 -6.65062179783488 1396393 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Br)Cl)C(=O)C4=CC=CO4 1 4.466 3 3 -2.57921958968868 1396345 C1COCCN1C(=O)CN2C(=O)/C(=C/C=C/C3=CC=CC=C3)/SC2=O 1 1.569 2 4 0 -3.78012486031958 1396213 CC1=C(C=C(C=C1)NC(=S)N2CCN=C2NC3=NC(=CC(=N3)C)C)C 1 4.239 6 0 -9.5555586636549 1396185 CC1=CC=C(C=C1)N(CC2=CC3=C(C=C(C=C3)C)NC2=O)C(=O)C4=CC=CS4 1 4.712 2 2 -9.74024124409726 1395898 C1CCN(C1)C(=O)CC2=NN3C(=C(C(=O)N=C3S2)C=C4C=CC(=O)C=C4)N 1 1.224 5 3 0 -14.2617440312045 1395884 CC1=CC(=CC=C1)N(CC2=CC3=C(C=CC(=C3)C)NC2=O)C(=O)C4=CC=CS4 1 4.712 2 2 -10.896627377468 1395875 CC(C)CC(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2 1 4.269 3 2 -7.5648826497422 1395695 C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)NCC3=CC=C(C=C3)F 1 3.024 4 2 -15.8137069339639 1395591 CC1=C(C=C(C=C1)N(CC2=CC3=CC=CC=C3NC2=O)C(=O)C4=CC=CS4)C 1 4.712 2 2 -11.078784466427 1395543 CC1(CC2=C3C4=C(C(=O)NC(=S)N4)SC3=NC(=C2CO1)C5=CC=CC=C5)C 1 4.546 3 2 -10.1801632490323 1395397 CC1=CC=C(C=C1)SC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C 1 4.745 4 2 -5.9069104324025 1395367 CC(C)CN1C2=C(C(=O)NC1=O)C(N=C(N2)CCC3CCCCC3)(C(F)(F)F)C(F)(F)F 1 4.889 4 2 -5.39506016598919 1395331 CC1=C(C=C2C(=C1)C(=NC(=N2)NC3=NCN(CN3)CC4=CC=CC=C4)C)C 1 4.046 6 0 -2.79402285031927 1395238 CCCN1N=C(N=N1)NC(=S)NC(=O)CC2=CC=CC=C2 1 2.777 6 1 0 -11.1686033489349 1395233 C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC3=CC=CC=C3 1 4.015 2 2 -1.57501467668581 1395145 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N=C(S2)NC3=CC=C(C=C3)O 1 3.488 2 5 0 -6.13889143315922 1395083 CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CC4=CC=CC=C4F 1 3.15 5 2 0 -5.92341129834241 1395053 C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 4.769 2 2 -1.09378741045022 1394959 CC1=CC(=CC=C1)OCCN2C=CC=C2C=NNC3=NC4=CC=CC=C4S3 1 5.146 4 1 3.22227668904557 1394958 CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCCCC3)C 1 4.577 2 1 -0.693459198735819 1394945 CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=CC=CC=C3)CCC4=CC=CC=C4 1 4.258 4 2 -7.12310711976686 1394903 C1=CC=C(C=C1)C[N+]2=CN(C=C2)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=C(C=C5)Br 1 6.308 5 2 0 3.98720465018207 1394884 COC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)Br)O 1 4.044 3 4 0 -15.7853291912523 1394840 COC1=C(C=C(C=C1)CC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)F)OC 1 4.095 2 4 -4.79154571779456 1394802 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=CC3=C(C(=C(C=C3)OC)OC)OC 1 0.556 6 6 0 -22.1770949094826 1394794 CC(C)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=COC=C3 1 0.789 5 1 0 -1.53208256990015 1394787 CC1=C(C=C2C(=C1)CC(N3C2=NN=C3C4=NC5=CC=CC=C5C=C4)(C)C)C 1 5.494 4 0 2.423786016263 1394783 CC1=CC(=C(C(=C1)C)NC(=O)C2=C(C3=CC4=C(CC(CC4=O)(C)C)N=C3S2)N)C 1 4.514 3 2 -15.7703839015378 1394760 COC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)N)SC4=C3CCC4 1 3.364 3 3 -29.1243320710984 1394754 C1=CC=C2C(=C1)N=C(S2)SCC3=C(N4C=CC=NC4=N3)Br 1 4.134 4 0 -1.04826616452633 1394690 CC1=NN=C(C2=CC=CC=C12)NC3=CC(=C(C=C3)OC)C(=O)NC 1 2.046 4 2 -13.3173691981876 1394686 CC(=O)NNC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)C3=CC=CC=C3 1 3.059 3 2 -1.84425362137983 1394663 CC(=O)N(CC1=CC(=O)NC2=CC=CC=C21)C3=CC=CC=C3OC 1 2.106 2 3 -12.0372217721526 1394618 CC1CCN(CC1)C(=O)CCC(=O)NC2=NN=C(S2)C3CCCCC3 1 2.61 4 2 -19.1357173623325 1394610 C1CCCC(CC1)NC(=O)CCC(=O)NC2=NN=C(S2)C(F)(F)F 1 2.511 4 2 -13.9056832255233 1394573 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC4=CC=CO4 1 3.447 4 3 0 -6.18865744680986 1394550 CC1CCN(CC1)C(=O)CCC(=O)NC2=NN=C(S2)C(F)(F)F 1 1.571 4 2 0 -18.2367388901594 1394537 CCOC1=CC=CC=C1NC(=O)CCC(=O)NC2=NN=C(S2)C3CCCCC3 1 3.144 4 3 0 -14.4151800585209 1394520 CC(C)C[C@@H](C1=NN=C(O1)SCC(=O)NC2=CC=C(C=C2)Br)N 1 2.687 4 2 -17.9989963260036 1394518 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCC3(CC2)OCCO3 1 0.754 4 4 0 -19.5962049416527 1394517 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)F 1 2.19 5 2 0 -13.3771623839228 1394445 C1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)NNC(=O)C4=CC=CC=C4Cl 1 4.518 3 2 -10.1449276150892 1394419 C1=CC=C(C=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=C(C=C4)Br)[O-] 1 3.962 2 3 -5.26179196689444 1394397 CCOC(=O)CN1C(=S)NC2(N1)CCCCCCC2 1 2.577 3 2 -5.98135924594507 1394374 C1=CC=C(C=C1)N2C=NN=C2SCC3=C(N4C=CSC4=N3)Br 1 3.312 5 0 -5.31893067231279 1394324 C1=CC=C(C=C1)NC(=O)CC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F 1 2.428 5 2 0 -10.7907230030702 1394220 CC1(CC2=C(C(N1)(C)C)SC(=C2C#N)NC(=O)COC3=CC=CC4=CC=CC=C43)C 1 4.092 3 2 -24.1183752001443 1394026 C1=CC=C(C=C1)C(=O)NNC2=NC(=O)C(S2)(CO)CO 1 0.158 3 4 0 -6.15872469698304 1393719 C1=CC=C(C(=C1)C2=CC=C(O2)C=NNC(=O)CC3=NN=C(S3)N)Cl 1 2.721 5 2 0 -0.974805269200855 1393702 C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCO4 1 4.254 3 3 -9.66129384203761 1393685 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CO3)C4=CC=C(C=C4)Br 1 4.419 2 2 -2.79676853753881 1393528 C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)Br)/C(=O)NCC4=CN=CC=C4 1 4.699 2 4 -9.02037467443105 1393517 C1=CC=C(C=C1)CN2C=NC3=C(C2=N)C(=C(N3CC4=CC=CO4)C5=CC=CC=C5)C6=CC=CC=C6 1 6.112 4 1 4.26204031445059 1393217 CC(=O)C1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Br)N4CCOCC4 1 4.412 2 2 1.71544920006744 1393290 CC(C)C(=O)NC1=NN=C(S1)CSCC2=CC=CC=C2F 1 3.084 3 1 -15.7439434972329 1393266 CC1=CC2=C(N(CC(=O)N=C2C=C1)O)C3=CC=CC=C3 1 2.111 2 2 -2.75337573797093 1393110 CC1=CC(=CC=C1)NC(=O)CC2=NN=C(S2)NC(=O)NC3=CC=CC=C3F 1 2.914 5 2 0 -12.0459885998578 1393058 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)C5CCCCC5 1 3.683 4 3 0 -24.1319654784973 1392928 CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SC)C4=CC=C(C=C4)OC 1 3.809 3 2 -18.2006969488278 1392604 CC1=CC(=C(C=C1)CN2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(C)C)C 1 2.957 5 2 0 -14.3862255067549 1392667 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.278 5 2 0 -13.8936332394095 1392482 CC1=CC(=NN1)C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)OC 1 2.721 6 1 0 -4.28511085636326 1392508 CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)OC 1 2.748 6 1 0 -5.66805796473432 1392412 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NC2=C(C=CC(=C2)OC)OC 1 1.781 4 4 0 -15.1870590689626 1392261 C1COCCN1C(=O)CC2=NN3C(=C(C(=O)N=C3S2)C=C4C=CC(=O)C=C4)N 1 0.451 5 4 0 -16.1845089951481 1392245 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O 1 4.772 2 4 -1.07518406521478 1392231 COC(=O)NC1=NN=C(S1)COC2=CC=CC=C2 1 1.827 3 3 0 -9.34934776930824 1392207 COC1=CC=CC=C1N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)C4=CC=CC=C4 1 3.77 2 3 -14.2421449946837 1392130 CC(C)CCN1C2=C(N=C1N3CCC4=CC=CC=C4C3)N(C(=O)NC2=O)C 1 3.016 5 2 0 -9.11173863410292 1392072 C1COCCN1C(=S)SC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4 1 4.738 2 2 -5.88505232805882 1392041 CC1=CC(=NC(=N1)SCCN2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C)C 1 1.169 7 3 0 -18.9189693684341 1391959 CC1=C(NC(=NC1=O)SCC(=O)NNC(=O)CC2=CC=C(C=C2)OC)C 1 1.326 4 4 0 -16.8975046935718 1391881 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCSC4=NC=CC=N4 1 0.604 7 3 0 -16.0812485285551 1391813 C1=CC=C(C=C1)CC2=NC(C3=C(N2)N(C(=O)NC3=O)CC4=CC=CO4)(C(F)(F)F)C(F)(F)F 1 3.334 4 3 0 -4.13413367098135 1391785 CN1CCN(CC1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5S4)C(=O)N(C(=O)N3C)C 1 2.757 7 2 0 -11.1987215068854 1391706 CC1=CC=C(C=C1)N(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C(=O)C4=CN=CC=C4 1 3.105 3 3 -8.74938840712733 1391685 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.395 2 5 0 -7.00619784650437 1391660 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.918 2 5 0 -7.90737363896989 1391582 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CN=CC=C3)OCC(=O)O 1 2.938 2 4 -10.1342547231007 1391579 CC1=CC=C(O1)/C=C\2/C(=O)N(C(=S)S2)C3=CN=CC=C3 1 3.014 2 2 -4.91712887574848 1391577 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CN=CC=C3 1 3.959 2 1 -4.96572215306102 1391573 COC1=CC=CC(=C1OC)/C=C\2/C(=O)N(C(=S)S2)C3=CN=CC=C3 1 3.44 2 3 -5.6846601905067 1391495 CC1=CC=CC=C1NC2=NC=NC3=C2C=NN3CC4=CC=CC=C4 1 3.621 5 0 1.1205073580934 1391491 COC(=O)CSC1=NNC(=S)S1 1 2.345 2 2 -12.8070085384903 1391485 CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)CN5CCC(CC5)C)O 1 4.731 3 3 3.40538936704486 1391478 CC1(CC2=C(C(=S)NC(=C2CO1)N3CCCC3)C#N)C 1 2.199 3 1 -7.36581862894164 1391394 C1=CC=C(C=C1)N2C(=C(SC2=O)C=NNC(=O)C3=CC=NC=C3)Cl 1 2.42 4 2 -4.90796429671176 1391391 CC1(CC2=C(C=C3C(=C(SC3=N2)C(=O)NCC4=CC=CC=C4)N)C(=O)C1)C 1 3.063 3 2 -19.2286485674404 1391381 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CS4 1 3.972 3 2 -6.83651793680699 1391316 COC1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)N 1 3.505 4 2 -8.47107204306815 1391308 CCOC(=O)CC1=NN=C(C2=CC=CC=C21)NC3=C(C=C(C=C3)C)C 1 4.212 3 2 -10.3683825436515 1391253 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCN(CC4)C(=O)CCCC(=O)O 1 3.402 4 3 0 -0.256580723527988 1391250 C1C(=O)N(C(=N)S1)C2=NC(=CS2)C3=CC=CC=C3 1 2.826 3 1 -3.61100882408592 1391229 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCN4CCOCC4)S(=O)(=O)C5=CC=CC=C5 1 1.165 5 4 0 -26.1336615011201 1391195 C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Br)NCCC(=O)O 1 3.67 3 2 5.6066350888268 1391120 CC1=NC=C(C=C1)C(=O)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl 1 2.783 5 1 -5.89476611948083 1391049 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=C(C)C3=CC=CO3 1 1.471 4 4 0 -17.8650245009402 1391039 CC1=NC2=C(N1)C=C(C=C2)CC3=CC4=C(C=C3)N=C(N4)C 1 3.357 4 0 -2.17490063569059 1390982 COC1=CC=CC=C1C(=O)NC2=CC=CC=C2SC(=O)C3=CC=CC=C3OC 1 4.572 1 4 -6.91494515197389 1390940 C1=CC=C(C(=C1)C2=NN=C(S2)NC(=O)NC3=CC=CC=C3F)F 1 3.332 4 1 -9.01195607592157 1390918 CC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4 1 4.654 6 1 0 -7.8649368122982 1390825 COC1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)N3CCN(CC3)C4=CC=CC=C4 1 3.981 5 1 4.94665962981111 1390784 CCC1=CC(=C(S1)NC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C)C(=O)OCC 1 3.769 1 6 0 -16.5376365621871 1390721 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=CC=C2 1 1.814 4 2 0 -12.6824027818218 1390695 CCC1=NN=C(S1)NC(=O)CCC(=O)NC2=C(C=C(C=C2)OC)OC 1 1.319 4 4 0 -19.073686771746 1390688 CC1=C(SC=C1)C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4 1 4.869 6 0 0.518377484857723 1390611 CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC=CS3 1 2.718 6 0 -7.81812711035215 1390606 CC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC(=C4)C(=O)O 1 3.889 4 4 0 -2.99296832443542 1390460 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)O 1 3.01 2 4 1.8362052813484 1390457 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3C(=O)O 1 2.882 2 5 0 -3.72321408752004 1390454 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N3CCCCC3 1 3.429 2 5 0 -18.9258137955455 1390417 COC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C=NNC(=S)N 1 3.914 4 2 -7.80193840090585 1390374 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CON=C(C)C3=CC=CC=C3 1 1.566 4 3 0 -11.070631010894 1390313 C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CN=CC=C3 1 2.781 3 2 -13.36437078212 1390214 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)S(=O)(=O)C5=CC=C(C=C5)Cl)C=C1 1 3.405 4 3 0 -22.0923319309785 1390207 C1=CC=C(C=C1)C[N+]2=CN(C=C2)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=C(C=C5)Cl 1 6.224 5 2 0 5.44386439528351 1390143 COC1=CC=C(C=C1)CCNC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 4.905 2 2 -3.29131766684125 1390052 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)C5CCCC5 1 3.227 4 3 0 -23.7774969643293 1390051 C1CCC2=C(C1)C3=CC=CC=C3N2C(=O)CSC4=NN=C(O4)C5=CC=CC=C5 1 5.395 3 2 -5.03818867585281 1390047 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=C(C=C3)C(F)(F)F 1 4.524 4 1 -1.06837653537974 1390003 CC(C)CN1C2=C(CCCC2)C(=O)C(=C1O)C(=O)NC3=NC4=CC=CC=C4S3 1 4.455 3 3 -8.92387904303813 1389939 CC(C)CC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=CC=C4 1 5.556 5 2 0 0.957684819051609 1389931 CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)Cl 1 4.927 4 1 -10.2878839398726 1389857 CC(C)CNC1=NN=NC2=C1SC3=NC(=C4CSC(CC4=C23)(C)C)N5CCOCC5 1 3.596 6 1 0 -13.420059572268 1389785 C1CN(CCC1C(=O)N)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 2.697 3 2 0.69063997885982 1389755 C1=CC=C(C=C1)CNC(=O)CC2=NN=C(S2)NC(=O)NC3=CC=CC=C3F 1 2.435 5 2 0 -19.2088170671423 1389684 CCC(=NNC1=NN=C(C2=CC=CC=C21)Cl)C 1 2.488 4 0 -5.57424362772063 1389675 CC1=C2CCCCC2=C(C(=O)N1)C#N 1 1.462 2 1 0 -9.42799642213371 1389643 CC(C)CN1C2=C(CCCC2)C(=O)C(=C1O)C(=O)NN3C(=NC4=CC=CC=C4C3=O)CC5=CC=CC=C5 1 4.782 4 4 0 -16.7908823593817 1389599 COC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCC5=CC=CC=C54 1 5.899 2 2 -6.71493066377385 1389597 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3CCCC3)OC 1 3.724 2 4 -20.0919057176779 1389577 CC1=CC=C(S1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F 1 3.85 2 2 3.09489243292618 1389547 CC(=C)CSC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4=CC=C(C=C4)OC 1 4.872 3 2 -26.7814828029708 1389532 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=CC=C3Br 1 4.33 4 1 -4.50631107631617 1389502 C1=C(C=C(C=C1Cl)Cl)NC(=O)C2=COC(=O)C(=C2)Br 1 2.849 1 3 -2.74166322323202 1389352 COC1=CC=C(C=C1)N2CN=C3N(C2)C(=O)CS3 1 2.089 3 2 -14.8392822626092 1389351 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)Cl 1 3.079 4 3 0 -4.3544487773021 1389349 CCN(CC)C(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)O 1 4.388 4 2 -9.27820436630064 1389316 COC1=C(C=C(C=C1)Br)C=NN2C(=NNC2=S)C3=CC=CC=C3 1 4.479 4 1 -0.836597564687429 1389282 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=CC3=CC=NC=C3 1 0.945 5 3 0 -19.0041320284296 1389244 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F 1 3.145 4 2 -8.75969989088626 1389238 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CO2)OCC3=CC=CC=C3 1 3.629 2 4 -9.3846687613569 1389211 C1=CC=C(C(=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O)Br 1 3.762 4 2 -17.5174192137815 1389209 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NN3CCN(CC3)C 1 2.834 4 2 -11.4885041151381 1389181 CC1CCN(CC1)C(=S)SCC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N 1 4.153 6 1 0 -11.2971239543188 1389139 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=CO4)CC5=CC=C(C=C5)F 1 4.039 6 5 0 -19.0844900020655 1389133 CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=C(C=C3)OC)CC4=CC=CC=C4 1 2.722 5 3 0 -10.8037666886932 1389080 CC1=CC(=CC=C1)NC(=O)CCC(=O)NC2=NN=C(S2)C3CCCCC3 1 3.297 4 2 -8.20256900875647 1389055 CCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)F 1 1.727 5 2 0 -15.3564222080393 1388967 COC1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=NNC(=O)C4=CC=NC=C4 1 3.648 4 3 0 -6.68575178122648 1388911 COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)CC5=CC=CC=C5 1 3.282 6 1 0 8.48703111249429 1388851 C1=CC=C(C=C1)C[N+]2=CN(C=C2)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=CC=C5 1 5.559 5 2 0 2.43282460341229 1388836 COC1=CC=CC=C1NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCC4 1 3.519 2 3 -0.810029547212008 1388835 CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)NC2=C(C3=C(S2)C(NC(C3)(C)C)(C)C)C#N 1 5.528 3 2 -19.6695809989614 1388811 CC1=CC=C(C=C1)C(=O)C2=NO[N+](=C2C(=O)C3=CC=C(C=C3)C)[O-] 1 1.582 2 4 0 -1.82636556826019 1388805 C1=CC(=NC=C1Br)NC(=O)C2=COC(=O)C(=C2)Br 1 1.657 2 3 0 -6.47370343634441 1388730 CSC1=NNC2=NC3=C(C(=O)N21)C4(CCCCC4)CC5=CC=CC=C53 1 4.26 4 1 -12.2402634462906 1388711 CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C\3/C(=N)N4C(=CSC4=NC3=O)C5=CC=CC=C5 1 4.727 4 1 -10.5872886231363 1388707 CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)CSC3=N 1 3.312 3 1 -3.13649240777072 1388641 C1=CC=C2C(=C1)C(=NN3C2=NN=C3)NN=CC4=CC(=CC=C4)O 1 2.345 6 1 0 -1.40468366539603 1388571 COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC 1 2.907 4 4 0 -14.8695394375503 1388554 CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=CC=C4OCC(=O)O 1 4.469 4 5 0 -25.7005814083566 1388537 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)NC(=O)C)S(=O)(=O)N 1 2.831 5 3 0 -15.061146726743 1388525 C1=CC=C(C(=C1)C2=NC(=CC(=O)O2)C3=CC(=CC=C3)Br)F 1 4.266 1 2 -7.90567812614116e-002 1388462 CC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NN=CC3=CC=C(O3)C 1 2.592 4 2 -2.33617840877035 1388418 CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CCCC4 1 4.95 2 3 -30.0643372383725 1388417 CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)NC3=NC4=C(C=CC=C4C)C(=N3)C 1 4.514 5 1 -6.55537272364047 1388377 COC1=CC2=NC(=C(C=C2C=C1)/C=C\3/C(=O)NC(=S)S3)N4CCOCC4 1 3.4 3 3 3.7928826579835 1388372 COC1=C(C=C(C=C1)Br)C=NNC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 3.298 4 2 -0.23636266240476 1388301 CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)O 1 2.6 1 4 -13.1181114928458 1388262 C=CCN1C(=O)CSC1=NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.944 2 3 -13.560958856054 1388232 CC1=CC(=CC=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCC5=CC=CC=C54 1 6.402 2 1 -4.5155958965621 1388214 CC1=NC=C(C=C1)C(=O)NN=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl 1 4.349 3 2 -3.32648472614439 1388147 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.855 4 2 -11.3215251980637 1388091 COC1=CC(=CC2=C(N3C(=CSC3=NC2=O)C4=CC=CC=C4)N)C=C(C1=O)OC 1 1.674 3 4 0 -3.08060202832065 1388051 COC1=C(C=C(C=C1)C=NN2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35)OC 1 4.372 3 2 -3.01607611036589 1387992 CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)OC)OC 1 4.2 4 2 -6.14387151317444 1387977 CCN1C2=CC=CC=C2C(=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=CC=C5)S3)C1=O 1 3.293 4 3 0 -11.6758589663086 1387962 C1CN(CCN1CC(=O)NN=CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br 1 1.207 5 3 0 -18.4381264827444 1387934 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=C(C=C(C=C3)Cl)Cl 1 4.911 4 1 -1.6158195627621 1387917 CC1=CC(=CC=C1)N2CN=C3N(C2)C(=O)CS3 1 2.591 3 1 -12.0862586428534 1387914 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=CC(=NN3)C4=CC=CC5=CC=CC=C54 1 4.928 6 1 0 1.33291769983231 1387857 C1=CN=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)O 1 1.947 2 3 0 -12.9403395084003 1387853 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=C/C(=C/C3=CC=CC=C3)/Cl 1 2.824 4 3 0 -19.4398095760603 1387796 C1=CC(=CC=C1C2=CC=C(O2)C=NNC(=O)CC3=NN=C(S3)N)F 1 2.262 5 2 0 -1.76377538438997 1387774 COC1=CC=CC(=C1)C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 3.566 4 2 -4.90813849048697 1387766 COC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCCCC4 1 2.87 3 3 -11.2429529131757 1387762 COC1=CC=C(C=C1)CN2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)F 1 5.061 4 1 7.21116271437568 1387761 CC1=CC=C(C=C1)COC2=CC=CC=C2C3=NNC(=C3)C(=O)NN=CC4=CN=CC=C4 1 4.268 5 2 0 -3.36598581421572 1387730 CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NNC(=O)CC4=CC=C(C=C4)OC 1 2.89 6 2 0 -0.214430757190193 1387726 CC1=CC(=NC(=N1)NN=CC2=CC=CC=C2OC)C 1 2.102 4 1 -3.48347544573496 1387702 C1CCC2=[N+](CC1)C=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OC(F)F 1 6.117 2 1 4.13618756662491 1387639 CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)CN5CCN(CC5)C)O 1 4.522 3 5 0 7.00051307079419 1387635 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)Br 1 4.957 4 0 -1.02532835325275 1387626 CC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)N3CCCCC3)CC4=CC=CC=C4)O 1 5.28 3 3 -16.535917390975 1387594 CCN(CC)C(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N(C)C 1 4.044 5 2 0 -15.1127554610148 1387591 CC1=C(C=CC=C1Cl)NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4S3 1 4.943 6 0 -0.477353910948693 1387582 CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CCC4 1 4.494 2 3 -27.7911566135592 1387556 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)N 1 3.478 4 4 0 -13.1892160157386 1387543 C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C3=CC=CO3)OCC4=C(C=CC=C4F)F 1 3.02 2 4 -5.66205719376781 1387484 COC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F 1 2.946 4 3 0 -7.51613978379016 1387465 C1=CC=C2C(=C1)C(=CN2)/C=C(\C#N)/C(=O)NC3=NC=C(S3)CC4=C(C=C(C=C4)Cl)Cl 1 5.385 4 1 -8.22777268418473 1387453 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(F)(F)F 1 5.151 4 0 0.108189987742071 1387415 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC=CC=C3 1 3.404 3 2 -11.5807854198547 1387411 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)F)C(=O)O 1 2.6 6 3 0 -9.18396264457169 1387390 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC=CC=C2Cl 1 2.485 4 2 -20.3247574712755 1387370 CC(C)CCNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CS3 1 3.563 4 2 -9.5763945281924 1387323 CC1=NC2=C(C(=N1)NC3=CC4=C(C=C3)OCO4)OC5=CC=CC=C52 1 3.159 3 3 3.52692818901019 1387314 C1=COC(=C1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Br 1 2.992 3 3 -8.25947175539682 1387242 CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC=C2C)C3=CC=C(C=C3)C)O 1 5.187 3 3 -17.2558007457491 1387232 CNC(=S)NN=CC1=CN(C2=CC=CC=C21)CCOC3=CC=CC(=C3)OC 1 4.346 4 2 -8.23112572857273 1387216 COC1=CC=CC(=C1OC)C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 3.549 4 3 0 -6.13916123290347 1387198 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)NC(C)C 1 4.411 4 4 0 -17.914383546347 1387184 C1CN(CCN1CC(=O)NN=CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.311 4 3 0 -19.7974327316294 1387159 CC1=NN(C=C1C=NNC(=O)CN2N=C(N=N2)N)C 1 -0.703 9 1 0 -6.38152896888277 1387083 CCC1=NN=C(S1)NC(=O)C2=CN=CC=C2 1 0.865 4 1 0 -14.3174809635304 1387076 CC1=CC=CC=C1C(=O)NC2=NN=C(S2)CC(=O)NN=CC3=CC=NC=C3 1 1.719 6 2 0 -16.5211656709403 1387044 CC1(CC2=C3C(=NSC3=NC(=C2CO1)N4CCOCC4)NC(=O)C5=CC=CC=C5)C 1 3.264 4 3 0 -14.6366215824504 1387020 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)CC(=O)N)S(=O)(=O)NC 1 2.953 5 3 0 -15.4186788012797 1387000 CCOC(=O)C1=C(C2=C3CCN(CC3=C(N=C2S1)N4CCOCC4)CC5=CC=CC=C5)N 1 3.61 4 3 0 -9.60089185775712 1386992 C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Br)CC(=O)O 1 3.104 1 3 -6.45165127844628 1386960 C1=CC=C(C(=C1)O)OC2=NC=C(C(=N2)Cl)Br 1 3.512 2 2 5.34203288148338 1386922 CC1=CC=C(C=C1)OCC(=O)NN=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4 1 5.087 3 2 -5.82783139124784 1386886 CC1=CC=C(C=C1)C(=O)NC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.296 2 2 1.61131178242622 1386807 CCOC(=O)CC1=NN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)C 1 3.726 3 2 -9.5147876579822 1386804 COC1=CC=CC=C1N2C(=C(C(=O)N=C2SCC(=O)N3CCCCC3)CC4=CC=CC=C4)O 1 4.777 3 4 0 -18.5161377297588 1386790 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=CC3=C(C(=CC=C3)OC)OC 1 0.572 6 5 0 -21.9290913014296 1386779 CC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCC5=CC=CC=C54 1 6.402 2 1 -6.30196445462971 1386689 COC1=CC(=C(C=C1)C=NN2C(=NNC2=S)C3CCCCC3)OC 1 4.176 4 2 -3.92582733302665 1386686 CC(C)C1=C2COC(CC2=C3C4=C(C(=NC=N4)NCC5=CC=CC=C5)SC3=N1)(C)C 1 4.922 4 1 -12.3115578727647 1386669 C1=CC=C(C=C1)CNC(=O)CC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F 1 2.435 5 2 0 -15.9464370727219 1386650 C1CN(CCN1C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl)C(=O)CCC(=O)O 1 3.873 4 3 0 2.89763573897377 1386569 CC1=NN=C(C2=CC=CC=C12)NC3=CC=C(C=C3)F 1 3.06 3 0 -3.57400690262731 1386549 CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2CCC5=CC=CC=C5 1 4.836 4 1 -15.3774392790491 1386512 COC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC=C3)O 1 3.296 3 4 0 -14.9084811424838 1386466 CC(=NNC(=O)C1=CN(C2=CC=CC=C21)C)CC3=CC(=C(C=C3)OC)OC 1 3.155 3 3 -10.5171415816428 1386432 C1=CC=C2C(=C1)C(=NN=C2Cl)NN=CC3=CC(=CC=C3)Cl 1 4.179 4 0 0.246535612579378 1386416 CCC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCC5=CC=CC=C54 1 3.847 9 2 0 -32.130700375885 1386410 CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5N4 1 3.583 7 2 0 -8.90382110004111 1386388 CNC(=S)NN=CC1=CN(C2=CC=CC=C21)CCOC3=CC=C(C=C3)OC 1 4.346 4 2 -7.68940234607143 1386332 C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2NC(=O)C(Cl)(Cl)Cl 1 3.382 3 3 -8.5589378302121 1386281 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=C(C)C3=CC=NC=C3 1 0.925 5 3 0 -20.9814692205403 1386269 C1CCC(CC1)C2=NNC(=S)N2N=CC3=C(C(=CC=C3)Cl)Cl 1 5.538 4 0 -0.615133448049583 1386229 CC1(CC2=C3C(=C(SC3=NC(=C2CO1)N4CCOCC4)C(=O)NC5=CC=C(C=C5)Cl)N)C 1 3.584 4 3 0 -12.4604710921986 1386117 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=C(C(=CC=C3)Cl)Cl 1 4.911 4 1 -1.88909419769618 1386085 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O 1 3.039 5 3 0 -24.0861970542489 1386060 CCN(CC)C(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)NC 1 3.839 5 2 0 -17.9233158293819 1385921 CCOC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3CCNCC3 1 2.473 3 3 -15.8043829483556 1385890 CC1=CC=CC2=CC3=C(N=C12)N(N=C3NC(=O)CC4=CC=C(C=C4)OC)C 1 3.893 4 2 -3.57928418772316 1385839 COC1=CC=CC=C1C2=NN=C(S2)NC(=O)OC 1 1.976 3 3 0 -8.47948266022876 1385880 CC1=NC2=C(C(=N1)NC3=CC=C(C=C3)N(C)C)OC4=CC=CC=C42 1 3.553 4 1 3.42947012412682 1385849 C1COCCN1C(=S)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N 1 2.893 6 1 0 -7.42927683582044 1385799 CCN1C2=C(C=C3C=CC(=CC3=N2)C)C(=N1)NC(=O)C(C)C 1 3.689 4 1 -6.55426362689233 1385726 CCOC(=O)C1=C(OC2=CC(=C(C=C21)O)Br)C3=CC=C(C=C3)OC 1 4.637 0 5 -2.37208524495592 1385702 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=NC3=NC=CS3)S2)CC=C 1 3.582 3 2 -8.96854338731992 1385497 COC(=O)C1=CC=C(C=C1)C=NNC(=O)CCSC2=NC3=CC=CC=C3S2 1 3.805 3 3 -11.61436592903 1385458 COC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)NC3=CC=CC=C3OC)CC4=CC=CC=C4)O 1 5.214 3 5 0 -19.1397137777391 1385368 CC(=NNC(=O)CN1C2=CC=CC=C2N=C1C3=CC=CC=N3)C4=CC=CC=C4 1 3.439 5 1 -8.01080001217816 1385360 C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC(=C4)C(=O)O 1 1.935 2 5 0 -1.95121029357533 1385343 COC1=CC2=CC(=C(N=C2C=C1)N3CCCCC3)/C=C\4/C(=O)NC(=S)S4 1 4.629 3 2 6.6386721932662 1385328 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)Br 1 4.957 4 0 -3.12223795410484 1385273 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)OC)F)C(=O)O 1 2.221 4 7 0 -18.0390088339257 1385138 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4 1 3.596 3 2 3.35597460332127 1385107 C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)CC(=O)N 1 3.556 4 1 -7.22944187809456 1385049 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)CC(=O)N 1 4.042 4 1 -6.58651246476695 1385045 COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)CC(=O)N 1 3.539 4 2 -6.99947867391109 1385037 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC(=CC(=N3)C)C 1 2.961 7 0 0 -7.2235205059899 1384927 CCSC1=NC=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)C5=CC=CO5 1 4.822 3 2 -9.43595962752414 1384879 COC1=C(C=C(C=C1)C=NNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)OC 1 3.345 5 2 0 1.74077684413449 1384834 CC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NN=C(C)C3=CC=NC=C3 1 1.882 5 1 0 -4.01251422787358 1384831 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC 1 3.352 4 3 0 -11.546194812874 1384793 C1CN(CCN1CC2=CC=CC=C2Cl)CC(=O)NN=CC3=CC=CS3 1 3.183 4 1 -4.19215335246732 1384708 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=CC=C3OCC(=O)O 1 3.674 4 3 0 -9.61305676846736 1384684 COC1=CC=CC(=C1)C=NNC2=NN3C=NN=C3C4=CC=CC=C42 1 2.57 6 1 0 -3.6044142248363 1384463 C1=CC=C(C=C1)C(=O)/C=C/NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3 1 3.534 4 3 0 -1.28854053563405 1384449 CC1=CC(=NC2=NC(=C(N12)Br)CSC3=NC4=CC=CC=C4S3)C 1 4.699 4 0 -0.613959086702219 1384413 CCSC1=NNC2=NC3=C(C(=O)N21)C4(CCCCC4)CC5=CC=CC=C53 1 4.609 4 1 -14.4710900752227 1384412 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=C(C)C3=CN=CC=C3 1 0.925 5 3 0 -20.926292743974 1384263 CN1CCC2=C(C1)SC3=C2C(=O)N(C4=NNC(=S)N34)C5=CC=CC=C5 1 3.423 5 1 -13.2343907152916 1384245 COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F)F 1 2.132 5 3 0 -11.9347538073294 1384230 C1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3C(=O)N2O 1 2.483 4 2 -1.72099391730998 1384207 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 2.737 5 2 0 -10.0642494363884 1384170 CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)OC)OC 1 2.732 6 2 0 -9.68707941853525 1384156 CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN=CC=C3 1 1.206 4 3 0 -11.2867748042012 1384108 C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.07 5 2 0 -12.2926136997029 1384107 COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)CSC3=CC=CC=C3)OC 1 3.374 3 3 -13.2401176189858 1383914 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=N4)CC5=C(C=C(C=C5)Cl)Cl 1 3.914 7 2 0 -9.10992828279171 1383901 C1CN(CCC1C(=O)C2=CC(=CC=C2)Cl)CC(=O)NC3=CC=C(C=C3)C(=O)O 1 9.2e-002 2 4 0 -1.58245409542573 1383899 CC1=CC(=C2C(=C1)C=C(C(=N2)Cl)CN(CC3=CN=CC=C3)C(=O)NC4CCCCC4)C 1 5.482 4 1 -3.08474630404046 1383884 C1CCC(CC1)NC(=O)OC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)N 1 3.972 2 3 -4.69280476311419 1383835 CC1=CC=CC=C1C(=O)N2CCC3=C2C=CC(=C3)C4=CSC(=N4)NC(=O)CN5CCCC5 1 3.913 4 2 -9.17455597043317 1383834 CC1=C(N=C(S1)NC(=O)CN2CCCC2)C3=CC4=C(C=C3)N(CC4)C(=O)C5=CC=C(C=C5)F 1 3.777 4 2 -13.3734556122288 1383832 C1CCN(C1)CC(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)N(CC4)C(=O)C5=CC=CC=C5F 1 3.632 4 2 -8.35303072847005 1383822 CC1=CC=CC=C1C(=O)N2CCC3=C2C=CC(=C3)C4=C(SC(=N4)NC(=O)CC5=CC6=C(C=C5)OCO6)C 1 5.058 3 4 0 -16.1799759766101 1383795 CC1=CC=C(C=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)CNCC5=CC=CC=C5 1 4.121 4 1 -1.19652886272775 1383784 CC(C)(C)C1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)CNC4=CC5=C(C=C4)OCCO5 1 3.574 4 3 0 -6.0719111214262 1383782 CC1=CC=C(C=C1)CNCC2=CC3=C(NN(C3=NC2=O)C4=CC=CC=C4)C(C)(C)C 1 4.003 4 1 -0.176891812460625 1383778 CCC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=NN=NN2CC3=CC=CC=C3)C 1 2.717 6 2 0 -28.7108311486617 1383775 C1=CC=C(C=C1)CN2C(=NN=N2)SCC(=O)NC3=CC(=CC=C3)F 1 2.649 5 1 -21.5606345914827 1383774 COC1=CC(=CC(=C1)NC(=O)CSC2=NN=NN2CC3=CC=CC=C3)OC 1 2.41 5 3 0 -26.5407654361764 1383773 COC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2CC3=CC=CC=C3 1 2.427 5 2 0 -23.6672122397325 1383770 CC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2CC3=CC=CC=C3)C 1 4.035 4 1 -17.9187101985278 1383769 C1=CC=C(C=C1)CN2C(=NN=N2)SCC(=O)C3=CC=C(C=C3)F 1 3.268 4 1 -17.2679500898062 1383760 CC(C)N1C2=C(C=C1C(=O)OC)N(C=C2)C3=CC=C(C=C3)F 1 4.575 2 2 -0.690348630363433 1383759 CNC1=NN=C(S1)C2=CC=C(C=C2)OC 1 1.548 3 1 0 -3.12661681618785 1383756 CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=NN2C3CCCC3 1 2.002 5 2 0 -29.6986315772935 1383755 C1CCC(C1)N2C(=NN=N2)SCC(=O)NCC3=CC=CS3 1 2.009 5 1 -33.850983121699 1383754 C1CCC(C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3N4CCOCC4 1 2.112 6 2 0 -29.6623833724064 1383753 CCC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=NN=NN2C3CCCC3)C 1 2.535 6 2 0 -32.5842527722456 1383751 C1CCC(C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)F 1 2.467 5 1 -26.4157906287071 1383750 COC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3CCCC3 1 2.245 5 2 0 -30.6593824017276 1383748 C1CCC(C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3F 1 2.467 5 1 -28.382518801186 1383746 COC1=CC=CC(=C1)NC(=O)CSC2=NN=NN2C3CCCC3 1 2.245 5 2 0 -27.1839284686288 1383745 C1CCC(C1)N2C(=NN=N2)SCC(=O)NCCC3=CC=CC=C3 1 2.59 5 1 -31.2259926724357 1383741 C1CCN(CC1)C(=O)CSC2=NN=NN2C3CCCC3 1 1.808 5 1 0 -28.5977264770936 1383732 C1CC2=C(N3C(=NC=N3)N=C2C1)N4CCC(CC4)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6 1 4.823 6 2 0 -3.36768384030432 1383723 CC(C)C(=O)N1CCC(CC1)C2=NC(=NO2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C 1 1.57 5 4 0 -16.3339724494661 1383718 CC1=CC=CC(=C1)C(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 1 2.322 4 5 0 -15.0422580194779 1383671 C1=CC=NC(=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC(=CC=C3)O 1 3.659 2 2 -0.110437332601374 1383603 COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)OC 1 1.733 0 5 0 -9.60361010059911 1383581 CC(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC(=C(C=C3)OC)OC 1 2.911 0 6 -5.5296492236214 1383566 COC1=C(C=C(C=C1)C2=CC3=C(C=C(C=C3)OCC(=O)N)OC2=O)OC 1 2.183 1 6 0 -6.47714696685762 1383563 C1=CC(=CC=C1C(=O)O)NC(=O)/C=C\2/C(=O)NC(=O)S2 1 0.838 2 5 0 -1.62684895515312 1383553 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC(=CC=C3)O 1 3.01 2 4 2.39069977816611 1383390 C1CN(CCN1CC(=O)NN=CC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)Br 1 1.207 5 3 0 -18.6387930829442 1383349 CCOC(=O)CC1=NN=C(S1)NC(=O)CSC2=CC=C(C=C2)Cl 1 2.792 3 3 -14.1312616265524 1383343 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=CS3)CC4=CC=C(C=C4)Br 1 3.708 6 2 0 -16.0175164318239 1383325 CC1=NC2=C(C(=N1)NC3=CC(=CC=C3)O)OC4=CC=CC=C42 1 3.148 3 2 8.91786636222893 1383288 COC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.392 3 3 -5.53693490863186 1383270 C1CN(CCN1C2=CC=CC=C2)C(=S)SCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N 1 4.835 7 0 0 -1.8523060527675 1383269 CC1=CC(=CC=C1)N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)CCl 1 3.141 2 2 -9.97653410633804 1383261 C1=CC(=CC(=C1)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)O)C(=O)O 1 2.196 4 4 0 -3.6224295715802 1383217 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC(=C(C=C2)OC)Cl 1 2.708 4 3 0 -11.865492097371 1383191 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=C3CCCC4=CC=CC=C43)CC5=CC=C(C=C5)F 1 3.974 6 2 0 -16.8789070981105 1383175 COC(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3 1 3.069 0 5 -3.87206933299296 1383136 C1=CC(=CC=C1NC2=NC(=NC(=N2)N)CC(=O)CSC3=CC=C(C=C3)Cl)F 1 3.948 5 1 -0.392121574481061 1382852 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CN=CC=C3)OC 1 1.601 3 5 0 -11.7966009373621 1382836 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCC(=O)N3CCCCC3)OC 1 2.546 2 5 0 -15.7951124289398 1382832 C1COCCN1C(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=O 1 1.349 2 4 0 -12.9036013903883 1382737 C1COCCN1C(=O)CCN2C(=O)/C(=C\C3=CC=CC=C3)/SC2=S 1 2.248 2 3 -16.7334511581335 1382708 C1=CC=C(C=C1)/C=C/2\C(=S)N(C(=O)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.882 2 4 -8.91796177510061 1382685 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCC(=O)N3CCN(CC3)C 1 2.105 3 3 -8.40632474865965 1382627 C1CCC(CC1)NC(=O)NNC(=O)COC2=CC=CC=C2C3=CC=CC=C3 1 3.415 3 3 -9.88688059799144 1382506 CC1CCN(CC1)C(=O)C2=C(OC3=C2C(=O)C4=CC=CC=C4C3=O)C 1 2.932 1 4 -7.30539809090416 1382504 CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCOCC4 1 1.45 1 5 0 -6.18458493677533 1382410 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)N=C(S2)NC3=CC(=CC=C3)O 1 3.431 3 4 0 -4.48139071338924 1382381 C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CC=NC=C3 1 2.038 4 3 0 -17.14360418394 1382380 C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CC=NC=C3 1 2.038 4 3 0 -17.14360418394 1382379 C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CN=CC=C3 1 2.038 4 3 0 -18.40944138401 1382378 C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CN=CC=C3 1 2.038 4 3 0 -18.40944138401 1382340 C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl)Cl 1 5.709 2 3 -6.31937742816283 1382255 CC1=C(C=C(C=C1)Cl)C2=CC=C(O2)/C=C(\C(=O)O)/SC3=NNC(=N3)C 1 4.647 3 3 4.69845602382162 1382247 COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=CC=C3F)OC 1 3.221 3 3 -17.9240805394692 1382235 CC1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3NC2=O)C(=O)C4=CC=CS4 1 4.226 2 2 -10.6533500614875 1382201 CCCC1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC=C(C=C2)OC 1 1.798 4 3 0 -19.8485561289788 1382193 CC(C)C(=O)NC1=NN=C(S1)COC2=CC=C(C=C2)Cl 1 2.978 3 2 -9.39427499276636 1382112 COC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)OC 1 1.976 3 3 0 -6.39413563999383 1382033 CC1=C2C(=CC(=C1)Br)C=NN2 1 2.708 2 0 1.80286956206836 1382017 C1=CC=C2C(=C1)C=CC3=C(O2)C=C(C=C3)N 1 2.799 1 1 2.34650330474489 1382010 CN1C=C(C2=C1C=C(C=C2)OC)C=O 1 2.072 1 2 2.31330626081824 1382009 CN1C=C(C2=C1C=CC(=C2)F)C=O 1 2.294 1 1 3.60368325496307 1381922 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O 1 3.367 2 7 0 -13.5405218067498 1381916 CC(=O)OC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)C(=O)NC3=CC(=CC=C3)OC(=O)C 1 2.934 2 6 0 -9.00107102155928 1381903 CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC3=CC(=C(C=C3)C(=O)O)C(=O)O 1 4.101 2 7 0 -15.6848367987376 1381867 C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=CC(=C3)C=NNC(=O)C4=CC(=CN=C4)Br 1 3.481 3 5 0 -12.7234158766126 1381866 C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C=NNC(=O)C4=CC(=CN=C4)Br 1 3.481 3 5 0 -12.5314916533492 1381862 C1=C(C=NC=C1Br)C(=O)NN=CC2=CC(=C(O2)Br)Br 1 2.992 3 2 -4.66348120072839 1381849 CC1=NN(C(=C1C=NNC(=O)C2=CC(=CN=C2)Br)Cl)C3=CC=CC=C3 1 3.249 5 1 -1.97537758614236 1381836 C1CCC2(C1)C(=C(NC(=C2C#N)SCC(=O)NC3=CC=CC=C3)N)C#N 1 2.246 5 1 -15.5040134570891 1381834 C1CCC2(C1)C(=C(NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)N)C#N 1 3.53 4 1 -8.25094171281201 1381789 CC(=O)NC1=CC(=CC(=C1)OC(=O)C2=CC=CO2)OC(=O)C3=CC=CO3 1 2.604 1 7 0 -9.07635774827149 1381676 CC(C)(C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)N3CCCCC3 1 4.922 1 1 -2.23624844119229 1381656 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC 1 2.977 2 4 -6.72381124337865 1381616 CC(=O)N(C1=CC=CC=C1OC(=O)C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.983 1 5 -7.92256734148611 1381611 CC(=O)N(C1=CC(=C(C2=CC=CC=C21)OC(=O)C)Cl)S(=O)(=O)C3=CC=CC=C3 1 3.648 1 5 -4.95192436179089 1381590 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.838 2 3 -6.55213902225134 1381466 CC1=NN(C(=C1/C=C\2/C(=O)NC(=S)S2)Cl)C3=CC=CC=C3 1 3.809 3 1 5.85379949738982 1381359 C1=CC=C2C(=C1)C=CC=C2NC(=S)NNC(=O)C3=CC(=CC=C3)Br 1 4.931 3 1 -6.18826780552902 1381298 C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NNC(=O)C3=CC=CC=C3O 1 1.799 3 5 0 -7.71698685785215 1381288 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CS2 1 1.639 3 4 0 -16.9443264522298 1381275 CC1=CC=C(C=C1)C2=NC(=C(O2)N(C)C)S(=O)(=O)C3=CC=C(C=C3)C 1 4.553 2 3 -2.232411029625 1381187 CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)C 1 5.79 2 2 1.87493642412207 1381175 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(S2)Br)[N+](=O)[O-] 1 3.099 3 3 -6.43804661963397 1381100 C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 4.144 3 4 0 -8.12925454527543 1381064 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CSCC3=CC(=CC=C3)Br 1 3.6 2 3 -11.4201357648731 1381051 C1=CC=NC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-] 1 3.282 3 5 0 -5.75966901781587 1381033 C1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)/C=C/C3=CC=CC=C3 1 3.964 2 4 -7.10166624896567 1381004 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.929 3 6 0 -15.2661773582296 1381002 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CSCC3=CC=CC=C3Br 1 3.6 2 3 -10.0131361383363 1380986 COC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-] 1 5.23 3 5 0 -2.12688298213752 1380946 CC(C)OCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 3.978 0 2 -5.59467359167619 1380920 CN1C2=CC=CC=C2C=C1C(=O)NN=CC3=CC=CC=C3 1 3.474 3 1 -1.95165673737316 1380919 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.159 4 4 0 -18.6593324574106 1380912 C1=CC=C2C(=C1)N=NN2CNC3=NC=CS3 1 1.605 5 0 0 -5.34695788609982 1380898 C1=CC=C(C=C1)CCNC2=CC=NC3=CC4=CC=CC=C4C=C23 1 4.638 2 0 0.865428647977349 1380890 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=NC3=CC=CC=C32 1 2.99 2 2 -2.71471081856706 1380883 CC1=C2C=CC(=NC2=C(C=C1)O)C 1 2.543 1 1 3.79501769261318 1380882 CC1=CC(=C(C2=C1C=CC(=N2)NN)O)C 1 1.924 3 1 0 8.09517635178515 1380879 C1=CC=NC(=C1)NC2=NC3=C(C=CC=C3O)C=C2 1 2.614 3 1 6.34393197535916 1380868 CC1=C(C(=CC=C1)C)OCC(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 3.153 3 6 0 -11.2342800366133 1380841 COC1=CC=CC=C1N2C(=O)CC(=O)NC2=O 1 0.719 2 4 0 -8.46720518738291 1380835 CCC1(C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)CC 1 4.323 2 3 -3.24198167878288 1380790 CC1=C(N(C2=CC=CC=C12)CC3=CC=CC=C3)N=CC4=CC=CO4 1 5.515 2 1 0.360231070258772 1380741 COC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)N 1 2.291 3 2 3.95244521501889 1380689 C1=CC=C(C=C1)C(=O)N(CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)O 1 3.241 2 4 -5.55821694532677 1380683 C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O 1 3.635 1 5 -10.0753374645393 1380682 C1CN(CCN1CCO)C2=C(C=CC=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.525 4 2 4.75637294480461 1380529 COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)O 1 2.674 0 4 -3.80849568788068 1380474 CCOC1=CC=C(C=C1)NC2=C3C(=NC2=O)C=CC(=C3Br)C 1 3.439 2 2 -2.00441385274989 1380463 COC1=CC=C(C=C1)OP(=O)(C)NC2=CC=CC=C2Br 1 3.106 1 3 4.99193242864644 1380460 CC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.815 3 2 -5.89351270507103 1380425 CC(=O)OC1=C(C(=C(C2=CC=CC=C21)OC(=O)C)Cl)N3CCOCC3 1 2.788 1 5 -1.45597574721413 1380424 CCN(CC)C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl 1 4.075 2 2 1.32125858527375 1380392 CCOC(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=C(C=C3)F)C4CC4)N 1 4.253 2 2 -5.9412062580097 1380388 C1CCC2(CC1)C(=C(NC(=C2C#N)SCC3=CC=CC=C3)N)C#N 1 3.649 4 0 -10.0418152433471 1380356 CC(=NNS(=O)(=O)C1=CC=C(C=C1)Br)C2=CC=CS2 1 3.068 2 2 -7.21954715496865 1380355 CCN(CC)C1=NC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)Cl)N 1 2.154 6 2 0 -5.11222144785811 1405619 CC(C)SC1=NNC2=NC3=C(C(=O)N21)C4(CCCC4)CC5=CC=CC=C53 1 4.53 4 1 -13.2329193021445 1405593 CC1=CC(=CC(=C1)NC(=O)CCC(=O)NC2=NN=C(S2)C(C)C)C 1 2.787 4 2 -12.9899465592966 1405589 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=C(C=C2)Cl 1 2.724 4 2 -9.20867854936786 1405531 COC(=O)NC1=NN=C(S1)CC2=CC=C(C=C2)Cl 1 2.691 3 2 -8.49899469368332 1405517 CC(C)C(=O)NC1=NN=C(S1)CC2=CC=C(C=C2)OC 1 2.497 3 2 -13.018076570793 1405265 COC1=CC=C(C=C1)C(=O)CSC2=NNC(=O)NC2=O 1 1.008 3 4 0 -16.5919902965895 1380308 CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC3=CC=CC=C3OC2=O 1 2.873 2 4 -11.1042870784184 1380290 COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NCC2=CC=CC=C2)OC 1 3.93 2 3 -11.5148176860449 1380205 COC(=O)CCNC1=NNC(=O)NC1=O 1 -1.481 4 4 0 -22.4510043683146 1380195 C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.561 2 4 -14.6355601311895 1380165 C1CCC(C1)(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.564 0 4 -3.36795822218582 1380164 CC1=CC=C(C=C1)S(=O)(=O)C2(CCCC2)S(=O)(=O)C3=CC=C(C=C3)C 1 4.536 0 4 -2.47194858294967 1380035 CC1=CC=C(C=C1)S(=O)(=O)C(=C(Cl)Cl)NC(=O)C2=CC=CC=C2 1 4.133 1 3 -8.48231747113085 1380011 C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)OC(C(F)F)(F)F)NC(=O)C3=CC=C(C=C3)F)F 1 5.29 2 3 -7.2137692266765 1380009 CCOC(=O)C(=NNC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CC=C2 1 4.014 2 4 -2.41226360867508 1379996 CN(C)C1=C(N=C(O1)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3 1 4.245 2 3 -2.62306140784205 1379974 CC(C)OC(=O)N(C)C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O 1 3.82 1 3 -6.61226619462678 1379947 CP(=O)(NC1=CC=C(C=C1)SC(F)(F)F)OC2=CC=C(C=C2)F 1 5.257 1 2 10.2487000540759 1379923 C1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)NNC3=CC=CC=C3 1 3.801 3 1 -3.24844725364287 1379883 C1=CC(=CN=C1)/C=C/2\C(=O)N=C(S2)N 1 0.846 3 1 0 -3.07600163783637 1379853 C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)C4=CC=CO4 1 2.217 2 4 2.96412892037667 1379605 CC1=CC=C(C=C1)C=NNC(=O)C2=C(N=C3N2C=C(C=C3)Br)C 1 3.369 4 1 -1.74313593048403 1379557 C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=CC=CC=C3)O 1 3.465 3 3 -17.8935718764484 1379554 CCC1=C(N(C(=NC1=O)SCC(=O)N2CCCCC2)C3=CC=CC=C3C)O 1 4.247 3 3 -16.9077641895567 1379530 C1CC2(COC(OC2)C3=CC=C(C=C3)O)C(=O)C14COC(OC4)C5=CC=C(C=C5)O 1 2.607 0 7 0 0.314146123219951 1379517 CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C(=O)OCC(C(F)F)(F)F 1 4.608 0 4 -8.31538167408267 1379493 C1C(=O)N(C(=NC(=O)C2=CC=CO2)S1)C3=CC=CC=C3Cl 1 3.596 2 3 -8.82850637416007 1379458 C1C(=O)N(C(=NC(=O)C2=CC=CO2)S1)C3=CC=CC=C3 1 2.931 2 3 -10.2250412438249 1379455 CCOC(=O)CC(=O)NC1=C(C=C(C=C1C)C)C 1 2.793 1 3 -6.99644424661475 1379435 C1=CC=C(C(=C1)C(=O)OCC(C(F)F)(F)F)C(=O)OC2=C(C=C(C=C2)F)F 1 4.533 0 4 -7.32117432256081 1379397 COC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC4=CC=CC=C43)O 1 4.204 3 4 0 -15.7281747592167 1379396 COC1=CC=CC=C1NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3OC)O 1 3.279 3 5 0 -19.1495998169101 1379360 C1=CC=C(C=C1)CNC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)O 1 3.319 3 3 -19.5830739822859 1379353 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 3.57 2 5 0 -15.737367872993 1379352 CC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)N3CCCCC3)O 1 3.345 3 3 -15.6793855130046 1379343 COC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)N3CCOCC3)O 1 1.613 3 5 0 -19.0594893045516 1379339 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-] 1 4.562 2 4 -8.61644691356716 1379337 C1CCC(=NNC(=O)C2=C(C3=C(N2)C=CC(=C3)Br)C4=CC=CC=C4)C1 1 4.803 3 1 -4.24308038397738 1379332 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC=CC=C3Br 1 4.881 1 1 1.22299009296576 1379324 CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC3=CC=CC=C32)CC=C)O 1 4.163 3 3 -19.8244390317213 1379319 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 4.562 2 4 -6.62707730282456 1379312 COC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3OC)O 1 3.279 3 5 0 -16.3948614969724 1379297 CC1=C(C=C(C=C1)C(=O)NC2=CN=CC=C2)S(=O)(=O)N3CCOCC3 1 0.755 3 4 0 -20.317764960398 1379290 C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 3.287 4 3 0 -10.6630156328787 1379282 CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC=C2OC)CC=C)O 1 3.239 3 4 0 -22.3798060241703 1379281 CC1=C(C(=NC(=N1)N)OCC(C(F)F)(F)F)Br 1 2.384 3 1 -3.08705643583806 1379266 CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.889 2 5 0 -23.3599193434791 1379260 COC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC4=CC=CC=C43)O 1 4.204 3 4 0 -17.2954288888564 1379247 COC1=CC(=C(C=C1)OC)N2C(=O)C(=C(C2=O)Cl)N3CCCCC3 1 2.412 2 4 -3.37681474012438 1379229 CC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)N3CCCCC3)O 1 3.345 3 3 -16.7438136091 1379222 COC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)N3CCOCC3)O 1 1.613 3 5 0 -17.6606481719243 1379198 COC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 2.033 1 7 0 -22.7926937805308 1379192 COC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)O 1 3.296 3 4 0 -15.0131301992527 1379190 COC1=CC=CC=C1N2CCN(CC2)CC3=CC4=C(C(=C3)OC)OCO4 1 3.268 2 4 2.48412586284237 1379186 C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NN)N 1 2.475 4 1 1.0670716044633 1379179 CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 3.734 2 4 -14.5370572181201 1379178 CCN(CC)C(=O)CSC1=NC(=O)C=C(N1C2=CC=CC=C2OC)O 1 2.623 3 4 0 -20.6309072054933 1379177 COC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC=C3OC)O 1 3.279 3 5 0 -18.1147689027563 1379161 C1CCC(=NNC(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)C4=CC=CC=C4)C1 1 4.719 3 1 -3.41744194551206 1379160 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 2.088 2 6 0 -17.7055038080481 1379158 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)F 1 1.624 2 4 0 -19.5468502507718 1379093 COC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)N3CCCCC3)O 1 2.842 3 4 0 -16.0923517221487 1379092 CCOC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C)OC 1 3.588 2 3 -3.95623032025941 1379075 COC1=CC(=C(C=C1)OC)N2C(=O)C(=C(C2=O)Cl)N3CCOCC3 1 1.183 2 5 0 -4.96590086283714 1379044 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2CCCCC2)C 1 3.197 2 3 -17.3626692698409 1379047 CCC1=C(N(C(=NC1=O)SCC(=O)N2CCOCC2)C3=CC=CC=C3)O 1 2.532 3 4 0 -17.6729357383792 1379068 CC1=CC=CC=C1NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3OC)O 1 3.782 3 4 0 -18.8837739097424 1379067 C1COCCN1C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)Br)Cl 1 1.964 2 3 0 -4.40626518381974 1405185 C1=CSC(=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)F)C#N)SCC(=O)O 1 4.744 2 2 -12.1516874137892 1405179 CC1=CC(=C(N1C2=CC=CC=C2F)C)/C=C(\C#N)/C(=O)NCC3=CC=CS3 1 4.041 3 1 -16.748048422078 1405176 C1=CC=C(C=C1)OC2=CC=CC(=C2)CSC3=NN=C(N3N)C(F)(F)F 1 4.278 4 1 -6.09521726650776 1405162 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=CC=C4OCC(=O)O 1 3.983 4 5 0 -25.8812768841626 1405158 CC1=CC=CC=C1NC(=O)C2=C(C3=C(C4=C(CCC4)N=C3S2)C5=CC=CO5)N 1 4.533 3 2 -6.93095157629554 1405150 CCN(CC)C(=O)CSC1=NC2=C(C3=C(S2)CSC(C3)(C)C)C(=O)N1C4=CC=C(C=C4)C 1 5.333 3 2 -34.8712434981352 1405137 C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4 1 2.308 4 3 0 -4.46796520988794 1405099 C1CCC(CC1)NC(=O)CSC2=NC(=O)C=NN2 1 1.391 4 2 0 -19.3831949100043 1405074 C1=CC=C(C=C1)CNC(=O)CSC2=NC(=O)C=NN2 1 1.116 4 2 0 -20.4891104536449 1404396 CC1=NNC(=NC1=O)SCC(=O)N2CCOCC2 1 -0.495 4 3 0 -18.5466816690993 1404393 CC1=NNC(=NC1=O)SCC(=O)NCC2=CC=C(C=C2)Cl 1 1.859 4 2 0 -17.61549151903 1404322 CCCC1=CC(=O)N=C(N1)NC2=CC=C(C=C2)Cl 1 2.983 3 1 -3.57795203303429 1404178 CC1=CC=C(C=C1)CSC2=NC(=O)C(=NN2)C 1 2.621 3 1 -11.1971471094289 1404069 CC1=CC=CC=C1CSC2=NC(=O)C(=NN2)C3=CC=CC=C3 1 4.295 3 1 -12.587380205145 1404043 C1=COC(=C1)/C=C/2\C(=O)N(C(=S)S2)N 1 1.744 2 2 0 -5.12877885012295 1404038 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CN=CC=C3 1 3.456 2 2 -5.37868836220516 1379029 CC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)N3CCOCC3)O 1 2.115 3 4 0 -18.3121100588756 1379010 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O 1 3.502 1 4 -7.35908785224369 1379009 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O 1 3.502 1 4 -8.40541223339447 1378994 C1COCCN1C(=O)CN2C(=O)COCC2=O 1 -2.261 2 5 0 -11.5147225162007 1378950 CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=C(C=C3)Cl 1 4.378 4 1 -4.67427204115473 1378919 C1COCCN1C2=C(C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F)Cl 1 2.158 2 3 0.364552520358976 1378886 CCCC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCOCC3)C4=CC=CC=C4 1 5.558 3 2 5.22111619671461 1378885 C1COCCN1C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC=C(C=C4)C5=CC=CC=C5 1 5.678 3 2 5.23537690714025 1378834 C[C@@H](C1=CC=CC=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.528 1 1 -10.5348091670319 1378789 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)Cl)Br 1 3.284 2 2 -2.98329386756333 1378785 C1COCCN1C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3 1 3.005 1 3 -1.97914485166871 1378769 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)CC2=CC=CC3=CC=CC=C32 1 4.215 2 2 -4.52443944479393 1378768 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)Br 1 4.02 2 2 -1.43869807009637 1378690 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC(=CC=C2)Cl 1 1.359 3 4 0 -9.75024934640843 1378689 COC1=CC(=C(C=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)Cl)OC 1 2.338 2 5 0 -7.90970174967822 1378678 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2Br 1 4.02 2 2 -2.78067893607191 1378677 C1=CC(=CC(=C1)F)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CS3 1 4.274 2 3 -10.4521796163004 1378673 C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C=NNC(=O)C3=CC(=CC=C3)F 1 5.036 2 2 3.45862655749514 1378653 C1=CC=C(C=C1)CC(=O)NN=CC2=CC(=C(O2)Br)Br 1 3.429 2 2 -4.91209940455606 1378646 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NNC(=C2)C3=CC=CC=C3 1 3.358 3 4 0 -3.7605767125252 1378615 C1C(=O)N=C(S1)NC2=CC=C(C=C2)Cl 1 2.546 2 1 -5.4601599951229 1378580 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)CSC3=NN=CC4=CC=C(C=C4)Cl 1 3.49 5 2 0 -13.1560229070249 1378560 C1=C(C(=O)NC(=O)N1CC(=O)O)F 1 -1.415 2 4 0 -11.2452528064002 1378506 CCOC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(O3)C 1 4.274 2 3 -14.3563005209704 1378451 COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)OC)Br)Br 1 4.698 0 3 -2.28664154974789 1378435 COC1=CC=C(C=C1)CCNC2CCC(CC2)C3=CC=CC=C3 1 4.814 1 1 3.57637841097485 1378417 CCCN1CCC(CC1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.875 3 0 13.1388314944267 1378406 CCN(CC1=CC=CC=C1)C2CCN(CC2)CC3=CC=CC=C3 1 3.946 2 0 0.109496088027584 1378338 C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4 1 5.091 2 0 8.47809250902508 1378337 CC(C)(C)C1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3 1 4.973 2 0 4.11338603799961 1378308 C1CN(CCN1CC2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=N4 1 4.488 3 1 4.28232299542958 1378307 CCN1CCN(CC1)CC2=CC(=CC(=C2O)Br)Br 1 3.464 2 1 7.36600956712331 1378298 CC1=C(C(=CC=C1)N2CCN(CC2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C 1 3.854 4 1 -2.67457863036114 1378293 CN(CCC1=CC(=C(C=C1)OC)OC)CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3 1 5.326 1 4 -1.47950481659518 1378292 CN(CCC1=CC=CC=C1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC 1 5.358 1 2 -0.652820403514931 1378271 CCN(CC)C1=CC=C(C=C1)CN(C)CCC2=CC(=C(C=C2)OC)OC 1 4.635 2 2 -4.16036565535156 1378149 C1=CC=C(C=C1)CCNC(=O)C2=NC=NN2 1 1.109 4 1 0 -8.32496961838452 1378145 CCP(=O)(CC)C(C)(C)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 4.747 0 2 -3.69630100202395 1378144 CCCS(=O)(=O)C1=C2C=CC(=CN2C(=C1S(=O)(=O)CCC)C(=O)C3=CC=CC=C3)C(=O)N 1 3.157 2 6 0 -15.5872618402382 1378131 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)C3=C(C=CC(=C3)OC)OC 1 3.106 2 5 0 -10.715677836198 1378094 C1=CC(=C(C=C1[N+](=O)[O-])/C=C/2\C(=O)N=C(S2)N)Cl 1 2.555 3 3 -1.032948130007 1378052 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.277 3 5 0 -11.2261587432593 1378026 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)C3=C(C=CC(=C3)OC)OC 1 3.969 1 5 -8.154386918767 1377936 CC1=CC2=C(C=C1)C3=C(C(N2C(=O)C4=CC=CO4)(C)C)SSC3=S 1 4.82 1 2 -18.6564428219946 1377935 CC1=CC(=C(C(=C1)C)C(=O)C2=CC=C(C=C2)C(=O)N(C(C)C)C(C)C)C 1 5.559 1 2 -6.00477898404837 1377933 CC1=C(C=C(C=C1)Cl)C2=CC=C(O2)C=NC3=CC=C(C=C3)N4CCOCC4 1 5.632 2 2 12.4557099142732 1377910 C1CCC(CC1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.788 2 3 0 -12.376251492646 1377905 CCC1=CC2=C(S1)N=C3C4=C(CCN3C2=O)C5=C(N4)C=CC(=C5)OC 1 3.941 3 2 -5.09263174462185 1377897 COC1=CC(=C(C=C1)OC)C(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=CC=CC=C4C=C3 1 4.894 1 4 -5.59465429568596 1377876 COC1=CC(=C(C=C1)OC)C(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC4=CC=CC=C43 1 4.894 1 4 -8.41179805977356 1377865 CCN1C(=O)CSC1=NC2=CC=CC=C2Cl 1 3.101 2 1 -3.40669316939117 1377856 CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.353 3 3 -13.6214785854037 1377843 COC1=CC(=C(C=C1)OC)C(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3 1 3.986 1 4 -7.68241423781807 1377841 CCCC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Br 1 4.018 2 2 -1.87910118983312 1377840 C1=CC=C2C(=C1)C=CC=C2CC3C(=O)C4=CC=CC=C4C3=O 1 4.184 0 2 2.37262143471086 1377831 CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3OC 1 3.869 2 3 -9.4804493499315 1377821 COC1=CC(=C(C=C1)/C=C/2\C3=CC(=C(C=C3COC2=O)OC)OC)OC 1 3.319 0 6 -3.70074361092435 1377800 CCOC(=O)C1=CN=C2N=C(NN2C1=O)C(F)(F)F 1 -9.9e-002 4 3 0 -6.38679809249995 1377781 COC1=CC=CC=C1N=C2N(C(=O)CS2)C3=CC=CC=C3OC 1 3.632 2 3 -5.38678535431164 1377724 CCN1CCN(CC1)CC(=O)NN=CC2=CC(=CS2)Br 1 2.033 4 1 -1.47810992525146 1377711 CC1(CC2=CC=CC=C2C(=N1)NNC(=O)C3=CC=C(O3)Br)C 1 2.752 3 2 -4.85232779400774 1377647 CC1=CC(=C(C=C1)OCC(=O)NN=CC2=CN(C3=CC=CC=C32)C)[N+](=O)[O-] 1 3.398 4 4 0 -4.48454191393533 1377645 CC1=CC(=C(C=C1)OCC(=O)NN=CC2=C(N(C3=CC=CC=C32)C)C)[N+](=O)[O-] 1 3.544 4 4 0 -7.14857899902074 1377609 CC1=CC=CC=C1OCC(=O)NN=CC2=CC3=CC=CC=C3N=C2Cl 1 4.064 3 2 -0.473080181373844 1377606 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C=NNC(=O)COC3=CC(=CC=C3)Cl 1 4.242 3 2 -8.09801581004247e-002 1377603 CC1=CC=CC=C1NCC(=O)NN=CC2=CC3=CC=CC=C3N=C2Cl 1 3.889 4 1 -3.99192623852599 1377596 CC1=CC=C(C=C1)NCC(=O)NN=CC2=CC3=CC=CC=C3N=C2Cl 1 3.889 4 1 -3.86250828355377 1377594 CC1=CC(=CC=C1)OCC(=O)NN=CC2=CC3=CC=CC=C3N=C2Cl 1 4.064 3 2 0.473086214487135 1377578 C1=CC=C2C=C(C=CC2=C1)NCC(=O)NN=CC3=CC4=CC=CC=C4N=C3Cl 1 4.312 4 1 -2.13137144055439 1377562 CC(C)(C)C1=CC(=CC(=C1F)C(C)(C)C)S(=O)(=O)CCC2=CC=CC=N2 1 5.258 1 2 -7.09191528897717 1377553 CCN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC(=CC=C3)C)C4=CC=CC=C41 1 5.217 3 1 -1.46857710750878 1377542 C1CN(CCN1CC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=N4 1 4.488 3 1 4.84648129040402 1377535 C1CN(CCN1CCO)CC2=CC(=CC(=C2O)Br)Br 1 2.576 2 2 9.50778953934014 1377499 COC1=CC(=C(C=C1CN2CCC3=C(C2)NC4=CC=CC=C34)Br)OC 1 4.648 2 2 0.584644978700523 1377475 CC1=C(C2=C(O1)C=CC(=C2CN3CCOCC3)O)C(=O)C4=CC=C(C=C4)OC 1 3.186 1 5 1.07111817047048 1377377 CC1=CC=CC=C1CN2CCN(CC2)C/C=C/C3=CC=CC=C3 1 4.398 2 0 7.1879381249559 1377367 COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-] 1 3.152 3 5 0 4.84982211850674 1377359 CC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-] 1 3.655 3 4 0 6.09402179517563 1377352 COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=CC=C(C=C3)F)OC)OC 1 3.689 2 3 5.09268695599307 1377324 COC1=CC=CC(=C1OC)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 4.442 2 2 9.74734427189167 1377323 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)Cl)Cl 1 4.416 2 2 2.21801873659815 1377320 CC1=C(C=CC(=C1OC)CN2CCC3=CC(=C(C=C3C2)OC)OC)OC 1 3.982 1 4 -3.07993180734259 1377316 COC1=CC=C(C=C1)C=NNC2=NC(=O)C(S2)(C3=CC=CC=C3)C4=CC=CC=C4 1 5.2 3 2 -5.06315466949871 1377314 CC1=CC(=C(C=C1CN2CCC(CC2)CC3=CC=CC=C3)C)OC 1 5.516 1 1 8.76590336503456 1377287 C1=CC=C(C=C1)C=NNC2=NC(=O)C(S2)(C3=CC=CC=C3)C4=CC=CC=C4 1 5.216 3 1 -5.11516373948717 1377281 CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC=C(O3)[N+](=O)[O-])C 1 3.706 3 3 8.87034160301842 1377280 CSC1=CC=C(C=C1)CN2CCSCC2 1 2.877 1 0 5.66769764754384 1377274 C1CCCN(CC1)CC2=CC(=CC=C2)Br 1 4.025 1 0 3.71748353435528 1377244 C1CSCCN1CC2=C(C(=CC=C2)Cl)Cl 1 3.664 1 0 3.57319616108469 1377242 COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=CC(=CC=C3)Cl 1 4.148 2 3 6.1881777664559 1377237 CCN1CCN(CC1)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 2.071 3 4 0 -3.09239793008584 1377232 C1CN(CCC1CC2=CC=CC=C2)CC3=CC(=C(C=C3)F)F 1 4.972 1 0 8.24664598790465 1377226 COC1=CC(=CC(=C1O)[N+](=O)[O-])CN2CCC3=CC=CC=C3C2 1 3.197 2 4 -3.12893996896861 1377206 C1CSCCN1CC2=CC(=CC=C2)F 1 2.541 1 0 4.90535977780906 1377199 C1CN(CCN1CC2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3Cl 1 3.398 3 3 6.30521621459061 1377195 C1CN(CCC1CC2=CC=CC=C2)CC3=CC=CC=C3Cl 1 5.225 1 0 6.60587040485398 1377190 CC1=C(C=CC(=C1C)OC)CN2CCC(CC2)CC3=CC=CC=C3 1 5.516 1 1 9.60905925566564 1377164 C1CCCN(CC1)CC2=C(C(=CC=C2)Cl)Cl 1 4.605 1 0 3.7022317090459 1377160 C1CN(CCC1CC2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-] 1 4.455 2 2 3.64763629632477 1377151 C1CCCN(CCC1)CC2=CC=CC=C2F 1 3.938 1 0 1.63690127857243 1377145 C1CN(CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)Cl 1 5.225 1 0 9.3620519804511 1377125 COC1=C(C=C(C(=C1)CN2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-])OC 1 4.422 2 4 1.33367370215052 1377123 COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3OC)OC)OC 1 3.467 2 4 2.7214538624903 1377120 CCOC1=CC=C(C=C1)CN2CCC(CC2)CC3=CC=CC=C3 1 4.893 1 1 6.36086392901212 1377111 CC1=CC(=C(C=C1CN2CCN(CC2)C3=CC=CC=C3)C)OC 1 4.489 2 1 7.9283068254824 1377108 CC1=CC=CC=C1N2CCN(CC2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4 1 3.681 3 4 0 4.65018444206953 1377102 CC1=CC(=C(C=C1)C)CN2CCSCC2 1 3.308 1 0 3.54494578154237 1377100 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N3CCCCC3 1 3.461 2 3 -15.4061771004177 1377098 CCOC1=CC=CC=C1N2CCN(CC2)CC3=C(C(=CC=C3)OC)OC 1 3.832 2 3 1.56105609618722 1377068 C1CSCCN1CC2=C(C=C(C=C2)Cl)Cl 1 3.664 1 0 5.10916513921627 1377059 C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])C3=NC=CC=N3 1 1.549 5 2 0 0.943297944190743 1377053 CCN1CCN(CC1)CC2=CC=C(C=C2)C 1 2.695 2 0 3.32458812814254 1377046 C1CN(CCC1CC2=CC=CC=C2)CC3=CC=CC=C3F 1 4.766 1 0 5.55209786988562 1377033 CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)OC)C 1 4.23 2 3 8.35665652197088 1377005 CSC1=CC=C(C=C1)CN2CCC(CC2)CC3=CC=CC=C3 1 5.102 1 0 9.7451702303341 1376968 COC1=CC=CC=C1N2CCN(CC2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4 1 3.179 3 5 0 1.45621400201716 1376960 CCOC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC 1 3.832 2 3 -0.82786936633601 1376937 C1CN(CCN1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=C(C=C4)F 1 3.401 3 4 0 4.3620551511006 1376934 COC1=CC(=C(C=C1CN2CCN(CC2)C3=CC=C(C=C3)F)OC)OC 1 3.689 2 3 2.63884979093745 1376923 CCOC(=O)C1CCN(CC1)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C 1 5.138 1 3 -1.22778672080026 1376890 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.147 3 3 -0.962782604147433 1376877 COC1=CC(=C(C=C1CN2CCN(CC2)C3=CC=C(C=C3)F)Br)OC 1 4.454 2 2 4.46730013184237 1376867 C1CN(CCC1O)CC2=CC(=CC=C2)OC3=CC=CC=C3 1 2.896 1 2 6.53847618234825 1376848 COC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(S3)Br 1 3.824 2 1 5.55078913830507 1376847 COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=C(S3)Br 1 3.824 2 1 7.33178705277912 1376842 COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C(C=C3OC)OC)OC 1 3.467 2 4 0.267616697434685 1376832 CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C 1 4.141 3 4 0 8.36702956896633 1376821 C1CN(CCN1CC2=CC=CC=C2)CC3=CC4=CC=CC=C4C=C3 1 4.352 2 0 6.07108264031692 1376807 CCOC1=CC=CC=C1N2CCN(CC2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4 1 3.527 3 5 0 0.317456916614341 1376803 COC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(O3)Br 1 3.266 2 2 2.15077275473936 1376730 CN1CCN(CC1)CCC(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 0.893 5 5 0 -6.53877813322692 1376711 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC(=CC=C4)O 1 2.651 5 4 0 -2.26037443570974 1376683 CCC1=NC(=NC(=N1)OCC)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl 1 2.874 5 4 0 -8.55998992480893 1376682 CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl)C 1 2.207 5 4 0 -9.79451081769164 1376615 COC1=CC=CC=C1C=NNC(=O)CSC2=NC3=CC=CC=C3C=C2 1 3.785 3 2 -6.58901173456126 1376492 C1CN(CCN1CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl)C4=CC(=CC=C4)Cl 1 5.044 2 2 6.47273517477853 1376462 C1CN(CCN1CC2=CC=CC=C2)CC3=CC(=CC(=C3O)Br)Br 1 4.699 2 1 9.3929159295852 1376452 CCOC(=O)C1CCN(CC1)CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl 1 3.427 1 4 -3.96934606376358 1376447 CC(=C)[C@H]1CCC(=CC1)CN2CCN(CC2)CC3=CC=CC=C3 1 4.63 2 0 11.0738903580818 1376413 CCN(CC1=CC=CC=C1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC 1 5.386 1 2 -2.18898947623555 1376406 CN(CCC1=CC(=C(C=C1)OC)OC)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC 1 5.326 1 4 -1.51662363695535 1376387 CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCC3=CC=CC=C3 1 5.282 2 0 5.8119952866441 1376370 CN(CCC1=CC(=C(C=C1)OC)OC)C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 4.137 2 4 1.15885984889511 1376354 COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=N3)OCC4=CC=CC=C4 1 4.472 3 2 0.587958417417466 1376272 COC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(C4=CC=CC=C34)OC 1 4.408 2 2 6.59213970696715 1376242 CCOC1=CC=CC=C1N2CCN(CC2)C/C=C/C3=CC=C(C=C3)N(C)C 1 4.495 3 1 3.70303710257488 1376210 COC1=C(C(=CC(=C1)Br)CN2CCN(CC2)C3=NC=CC=N3)O 1 2.145 4 2 8.58779395785451 1376206 CCN1CCN(CC1)CC2=C3C=CC=CC3=CC4=CC=CC=C42 1 4.026 2 0 3.42957061680648 1376190 C1CN(CCN1CC2=CC=CC=C2)CC3=CC(=CC(=C3O)Cl)Cl 1 4.531 2 1 8.67767392737443 1376160 CN(CC1=CC=CC=C1)C(=O)C2=CC=CO2 1 2.222 1 2 -4.77815380285349 1376058 C1=CC=C2C(=C1)N=NN2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.686 4 4 0 -11.6103412839442 1376041 CC12CN(CC(C1=O)(CN(C2)C(=S)NC3=CC=CC=C3)C)C(=S)NC4=CC=CC=C4 1 6.154 4 1 -11.314948338375 1376033 CCOC1=CC=CC=C1/C=C(\C(=O)N2CCCCC2)/NC(=O)C3=CC=CC=C3 1 3.45 2 3 -18.8397919553142 1375907 CCOC(=O)CN1C=NC2=C(C1=O)N3CCCCCC3=C2C#N 1 1.795 4 3 0 -14.9373807037308 1375884 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=O)C=C(C3=CC=CC=C3)O 1 1.513 3 4 0 -13.7807943185318 1375770 CCN1C(=O)CSC1=NC2C3CC4CC(C3)CC2C4 1 3.117 2 1 -3.58094385171619 1375769 CCN1C(=O)CSC1=NC2=NC=CS2 1 1.434 3 1 0 -7.34993455154873 1375750 C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=CC4=C(C=C3)OCCO4 1 3.698 2 2 5.98248023617964 1375745 C1CN(CCN1CC2=CC=C(O2)C3=CC=CC=C3Cl)C4=CC=CC=C4 1 5.189 2 1 12.9524813532757 1375742 C1CN(CCN1CC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4 1 4.419 3 3 8.77036594684904 1375730 COC1=CC=CC(=C1)N2CCN(CC2)CC3=COC4=C(C=C(C=C4C3=O)Cl)Cl 1 4.363 2 3 4.20399686701745 1375723 CN(CC1=CC=CC2=CC=CC=C21)CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-] 1 4.031 2 4 8.70709202165762 1375694 C1CN(CCN1CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4 1 4.419 3 3 7.69283539047951 1375657 CC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-] 1 3.655 3 4 0 5.09401547874145 1375643 C1CCN(CC1)C2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4 1 4.49 2 0 5.69881476903012 1375626 COC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-] 1 4.402 3 4 0 5.76017446200356 1375624 CCN1CCN(CC1)CC2=CC3=C(C=C2)C4=CC=CC=C4C3 1 3.872 2 0 7.61592116967583 1375610 CCOC(=O)C1=C(SC2=C1CCC(=C2SC3=CC=CC=C3)C=O)NC(=O)C 1 3.735 1 4 -10.8137360351503 1375607 C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl 1 5.375 1 3 -8.01573776924612 1375553 CNC1=NC(=NC(=N1)OCC(F)(F)F)OCC(F)(F)F 1 2.827 4 2 -5.15628298253063 1375485 CCN(CC)C(=O)CN1C(=NC(=N1)C2=CC=NC=C2)SCC(=O)NC3=CC=C(C=C3)OC 1 1.932 6 3 0 -19.0037409296991 1375455 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=CS3 1 2.118 5 2 0 -16.6224421995039 1375445 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NN=C(N4C5=CC=C(C=C5)F)C6=CC=NC=C6 1 5.747 5 1 -3.61814168802093 1375420 C1=CC(=CC(=C1)F)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.496 2 4 -9.44254050742332 1375414 C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 2.496 2 4 -9.45780236872264 1375412 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.753 2 4 -5.57868504255672 1375407 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.777 2 4 -10.1696793941879 1375398 CC1=CC(=CC=C1)NC(=S)N(CC2=CC=CS2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC 1 5.791 3 3 -13.3698482605852 1375190 CNC(=S)N(CC1=CC=CS1)CC2=CC3=C(C=C(C=C3)OC)NC2=O 1 3.466 3 2 -12.3680100278193 1375186 CC1=CC(=CC=C1)NC(=S)N(CC2=CC=CS2)CC3=CC4=C(C=CC(=C4)OC)NC3=O 1 5.807 3 2 -10.0352759038536 1375180 CC1=CC(=CC=C1)NC(=S)N(CC2=CC=CS2)CC3=CC4=CC(=CC(=C4NC3=O)C)C 1 6.796 3 1 -10.1876923581148 1375020 COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)OC 1 3.311 3 2 -4.0841248692961 1374992 CC(=O)N1C(=NC(=N1)C2=CC=NC=C2)SCC(=O)NC3=CC(=CC=C3)Cl 1 2.433 5 2 0 -5.16883004987674 1374972 CC1=CC=C(C=C1)NC(=O)CSC2=NC=C(N2C(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 5.387 3 2 -7.09148310914382 1374969 CC1=CC=C(C=C1)C(=O)N2C(=CN=C2SCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4 1 5.387 3 2 -6.45248968000782 1374852 CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=CO3)C(=S)NC4=CC=CC=C4OC 1 5.249 3 3 -16.1975878446108 1374698 COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC 1 2.424 3 4 0 -4.41788253200013 1374682 CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)OC)Br 1 3.804 3 2 -2.68454837656879 1374681 CC1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)OC)C 1 3.541 3 2 -1.89024261436757 1374680 CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)OC)C 1 3.541 3 2 -1.74939343017761 1374630 CC1=CC=C(C=C1)C(=O)CSC2=NC(=NC(=C2)C)SCC(=O)C3=CC=CC=C3 1 5.475 2 2 -6.24414872535022 1374613 CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)N3CCCC4=CC=CC=C43)C#N 1 5.321 3 1 -14.9781269110664 1374572 CC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4 1 3.197 6 3 0 -12.9301349470939 1374557 CC1=CC=CC2=CC3=C(N=C12)SC(=C3N)C(=O)NC4=C(C(=C(S4)C)C)C#N 1 4.19 4 1 -13.630416197933 1374541 CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NC3=CC4=C(C=C3)SC(=N4)C 1 4.443 4 1 -13.6680286580365 1374508 C1C(=O)N(C(=N)S1)CC2=CC=CC=C2 1 1.889 2 1 0 -7.23426836978246 1374506 COC1=C(C=C(C=C1)Cl)N2C(=O)CSC2=N 1 2.53 2 2 -4.82004343630065 1374340 CCOC1=CC(=C(C=C1NC(=O)C2=CC=CO2)OCC)NC(=O)C3=CC=CS3 1 3.412 2 5 0 -9.18277744785341 1374328 CCOC1=CC(=C(C=C1NC(=O)C2=CC=CO2)OCC)NC(=O)C3=CC=CO3 1 2.854 2 6 0 -7.07779395512302 1374321 COC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2Cl)NC(=O)C3=CC=CO3 1 3.442 2 4 -7.23966463435684 1374312 COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NNC(=O)CC3=CC=CC=C3)C#N 1 2.887 4 3 0 -13.4118872824338 1374256 CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)N4C=NN=N4 1 3.454 5 4 0 -20.0364852129403 1374219 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)C3CCCCC3)OC 1 3.278 3 4 0 -18.3185831037153 1374218 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(O2)C3CCCCC3 1 3.278 3 4 0 -16.4112152250483 1374166 C1CCN(C1)C(=O)CSC2=NN=C(O2)COC3=CC=CC4=C3N=CC=C4 1 1.96 4 3 0 -23.5738348995177 1374208 C1C(=O)N(C(=NNC(=O)COC2=CC=C(C=C2)Br)S1)CC3=CC=CO3 1 2.694 3 4 0 -13.2333254186892 1374207 C1C(=O)N(C(=NNC(=O)COC2=CC=C(C=C2)Br)S1)CC3=CC=CC=C3 1 3.512 3 3 -11.2989653863693 1374206 CC1=CC=C(C=C1)OCC(=O)NN=C2N(C(=O)CS2)CC3=CC=CO3 1 2.431 3 4 0 -13.5986643641746 1374205 CC1=CC=C(C=C1)OCC(=O)NN=C2N(C(=O)CS2)CC3=CC=CC=C3 1 3.25 3 3 -11.6643043318547 1374204 CC1=CC(=CC=C1)OCC(=O)NN=C2N(C(=O)CS2)CC3=CC=CO3 1 2.431 3 4 0 -12.6042158015605 1374203 COC1=CC=CC=C1OCC(=O)NN=C2N(C(=O)CS2)CC3=CC=CC=C3 1 2.747 3 4 0 -15.7163226221841 1374201 COC1=CC=CC(=C1)C(=O)NN=C2N(C(=O)CS2)CC3=CC4=C(C=C3)OCO4 1 2.68 3 5 0 -14.0854107442843 1374199 CC(C)(C)C1=CC=C(C=C1)C(=O)NN=C2N(C(=O)CS2)CCC3=CC(=C(C=C3)OC)OC 1 4.617 3 4 0 -13.3366062360999 1374198 CC1=CC=CC=C1C(=O)NN=C2N(C(=O)CS2)CC3=CC=CO3 1 2.596 3 3 -16.5720082582796 1374197 CC1=CC=CC=C1C(=O)NN=C2N(C(=O)CS2)CC3=CC=CC=C3 1 3.414 3 2 -14.7086669964474 1374196 CC1=CC=CC=C1C(=O)NN=C2N(C(=O)CS2)CC3=CC4=C(C=C3)OCO4 1 3.182 3 4 0 -15.5458164407603 1374183 C1CN(CCN1C(=O)CSC2=NN=C(O2)COC3=CC=CC4=C3N=CC=C4)C(=O)C5=CC=CO5 1 1.776 5 5 0 -24.6667313559193 1374182 COC1=C(C=C(C=C1)C=O)CSC2=NN=C(O2)COC3=CC=CC4=C3N=CC=C4 1 3.56 3 4 0 -23.8984470325723 1374146 CC1=CC(=C(C(=C1C)C(=O)CSC2=NN=C(O2)C3=CC4=C(C=C3)NC(=C4C)C)C)C 1 6.338 3 2 -4.41039104950817 1374145 CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(O2)C3=CC4=C(C=C3)NC(=C4C)C)C 1 5.366 3 2 -3.10633855238648 1374126 CC1=CC2=CC(=C(C=C2N3C1=NN=C3SCC(=O)NC4=CC=CC=C4N5CCOCC5)C)C 1 4.97 5 2 0 -16.2550078789442 1374125 CC1=CC2=CC(=C(C=C2N3C1=NN=C3SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5)C)C 1 5.154 5 3 0 -28.0592084795884 1374121 CC1=CC2=CC(=C(C=C2N3C1=NN=C3SCC(=O)N4CCN(CC4)C(=O)C5=CC=CO5)C)C 1 4.026 5 3 0 -15.7018505944571 1374119 CC1=CC2=CC(=C(C=C2N3C1=NN=C3SCC(=O)C4=CC=CS4)C)C 1 5.693 3 1 -12.6609461047381 1374114 CC1=CC2=CC(=C(C=C2N3C1=NN=C3SCC(=O)NCC4=CC5=C(C=C4)OCO5)C)C 1 4.895 4 3 0 -19.4304476275064 1374105 CC1=CC2=CC(=C(C=C2N3C1=NN=C3SCC(=O)N4CCCC5=CC=CC=C54)C)C 1 5.857 4 1 -16.3906847593206 1374104 CC1=CC2=CC(=C(C=C2N3C1=NN=C3SCC(=O)NC4=NC5=C(S4)CCCC5)C)C 1 5.507 5 1 -17.2239602574462 1374097 CC1=CC2=CC(=C(C=C2N3C1=NN=C3SCC(=O)N4CCC5=CC=CC=C54)C)C 1 5.4 4 1 -17.9200550862288 1374077 CC1=CC2=CC=CC=C2N3C1=NN=C3SCC(=O)NCC4=CC=CS4 1 3.894 4 1 -20.0441759829338 1374075 CC1=CC2=CC=CC=C2N3C1=NN=C3SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5 1 4.182 5 3 0 -27.5623826077607 1374066 CC1=CC2=CC=CC=C2N3C1=NN=C3SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)OC 1 4.39 5 2 0 -10.7069796876453 1374047 CC1=CC2=CC=CC=C2N3C1=NN=C3SCC(=O)N4CCC5=CC=CC=C5C4 1 4.435 4 1 -17.7289037169018 1373961 CCOC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NCCC3=CNC4=CC=CC=C43 1 3.095 6 2 0 -12.0834834284494 1373960 COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)NCCC3=CNC4=CC=CC=C43)OC 1 2.73 6 3 0 -14.7929319969009 1373951 COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)NCC3=CC=CS3)OC 1 1.855 5 3 0 -14.7721479842009 1373946 COC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.589 6 2 0 -1.4383289238876 1373943 COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC)OC 1 2.351 6 4 0 -7.28523373754984 1373942 COC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 2.367 6 3 0 -4.1753972240616 1373940 CN(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 2.546 7 2 0 -4.8114923279655 1373938 CN(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.078 6 3 0 -12.3917985285579 1373934 CCOC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.249 5 4 0 -10.9097015107974 1373933 COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)NCC3=CC4=C(C=C3)OCO4)OC 1 1.883 5 5 0 -13.7589879834705 1373930 CN(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.599 6 3 0 -14.5160720169802 1373928 COC1=C(C=C(C=C1)CCNC(=O)CN2N=C(N=N2)C3=CC(=C(C=C3)OC)OC)OC 1 2.404 5 5 0 -12.8416016872315 1373927 COC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.42 5 4 0 -12.0989789986023 1373916 CC1=CC(=NO1)NC(=O)CSC2=NN=CN2N 1 -0.44 6 2 0 -22.8016761142391 1373890 CCCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC(=C2)N)C)C(=O)OC 1 2.531 3 4 0 -20.5093011222765 1373849 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCC4=CC=CC=C43)CC5=CC=C(C=C5)F 1 3.689 5 3 0 -26.8425665607229 1373674 CN1C2=C(N=C1SCC(=O)NC3CCCC3)N(C(=O)N(C2=O)C)C 1 1.445 5 3 0 -22.0261241890071 1373594 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)C4=CC=CC=C4 1 3.602 5 2 0 -11.8213553956593 1373575 CN1C(=NN=C1SCC(=O)NNC(=O)CC2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 3 5 2 0 -10.6858381376923 1373519 CC1=NC2=CC=CC=C2C(=O)N1CC(=O)NC3=C(C=CC(=C3)OC)OC 1 1.638 3 4 0 -12.4776060856663 1373518 CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2C(=NC3=CC=CC=C3C2=O)C 1 2.336 3 4 0 -13.7533474011497 1373486 CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C5=CC=C(C=C5)OC 1 5.76 4 2 -9.38577705398963 1373485 CCN1C(=NN=C1SCC(=O)NC2=NOC(=C2)C)C3=CC=C(C=C3)OC 1 2.515 5 3 0 -20.1711833106534 1373334 CC1=CC(=CC=C1)OCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)O 1 3.771 3 4 0 -12.246526189407 1373312 COC1=CC=CC=C1NC(=O)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3 1 2.843 3 3 -12.8620920932865 1373294 COC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCCC3)C4=CC=CC=C4 1 3.695 4 2 -13.6783885715529 1373207 C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)O 1 3.348 2 4 -11.4523035072985 1373154 CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 2.403 3 3 -6.5989341861533 1373123 C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C5=CC=CC=C53 1 4.546 3 0 6.53308563432006 1373010 C1=CC(=CC(=C1)Cl)CC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.015 3 3 -7.6409201158302 1373052 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F)O 1 4.588 2 3 7.2588242262628 1373015 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC3(CCCCC3)O 1 3.153 2 4 -4.69445304347308 1373012 C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)O 1 4.485 2 2 -0.580555814649049 1372860 C1=CC(=C(C=C1/C=C/2\C(=O)NC(=S)N2)Cl)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 4.891 3 4 0 -4.8192785565985 1372782 CC(C)NC(=O)COC1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=CC=C2 1 2.156 3 4 0 -14.0522716787065 1372559 C1COCCN1S(=O)(=O)C2=CC=C(C3=CC=CC=C32)Br 1 2.291 1 3 -11.5348477926235 1372434 C1=CC(=C(C=C1Cl)C2=CC=C(O2)C(=O)NC3=NC=C(C=C3)Cl)Cl 1 5.201 2 2 4.43451973431872 1372362 C1=CC=C(C=C1)CCN(CC(=O)NN)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.878 3 3 0 -11.8072316835714 1372196 C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C=NNS(=O)(=O)C3=CC=CC=C3 1 3.006 3 4 0 -7.35517883905073 1372184 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=NC4=CC=CC=C4S3 1 2.4 3 3 -11.1484777649033 1372159 C1=CC2=NSN=C2C(=C1)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br 1 4.696 3 2 1.52830589259346 1372146 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3Cl 1 4.157 3 4 0 -6.00881932796683 1372130 CCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC 1 4.31 2 5 0 -9.77256369750861 1372063 CC1=CC=C(C=C1)C(=O)NC2=C(C=NN2C3=CC=CC=C3)C(=O)N4CCOCC4 1 2.553 4 3 0 -11.6543195051581 1372037 C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl)[N+](=O)[O-] 1 3.958 3 4 0 -9.17991861244979 1371886 CC(=C)CSC1=NN=C2N1C3=C(C4=C(S3)CCC4)C(=O)N2CC5=CC=CC=C5 1 5.122 4 1 -23.1049826455723 1371848 C1=CC=C2C(=C1)C(=O)C(=C(N2)O)NC(=O)C3=CC=CO3 1 1.536 2 4 0 -6.19428843066294 1371830 COC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=C(C=C2)OCCN3CCOCC3)OC 1 2.163 3 6 0 -5.63027875708347 1371821 C1=CC=C(C=C1)C(=O)NC(C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3 1 3.572 3 4 0 -10.9231583106296 1371745 CC(=NNC(=O)C1=CC=CC=C1[N+](=O)[O-])C2=CC=C(S2)Br 1 3.079 3 3 -10.740426509025 1371730 CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)C(F)(F)F 1 2.575 3 3 -9.54759340367316 1371703 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NC3=CC=CC=N3 1 3.022 3 5 0 -12.2678436920109 1371695 CCC1=CC=C(C=C1)CN2CCN(CC2)CC3=C(C=CC(=C3)Br)O 1 4.893 2 1 9.00904946554285 1371669 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC=N4)C 1 3.918 3 3 2.43940883690933 1371655 C1=CC(=CC(=C1)Br)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CN=CC=C3 1 3.85 3 2 -11.6960491761735 1371654 C1=CC(=CC(=C1)Br)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CN=CC=C3 1 3.85 3 2 -11.6960491761735 1371626 C1=CC(=CC(=C1)Br)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NC3=CN=CC=C3 1 3.281 3 2 -7.21539670325039 1371583 C1CSC(=N1)NC(=O)CN2C(=O)/C(=C/C3=CC(=CC=C3)Br)/SC2=S 1 3.92 3 2 -13.326560641602 1371581 CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N3CCCC4=CC=CC=C43 1 5.611 2 2 -16.7747265137412 1371580 CCC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)N3CCCC4=CC=CC=C43 1 5.611 2 2 -16.7747265137412 1371564 CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N3CCN(CC3)C 1 3.46 3 2 -12.4756126521839 1371525 C1=CC(=CC=C1C(=O)NC2=NC=C(S2)CC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-] 1 4.679 3 3 -6.18180462885012 1371522 CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=NOC(=C3)C 1 4.012 3 3 -21.9212419278109 1371502 CC1=CC2=C(C=C1C)N(C=N2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 1 6.105 3 1 -3.10764372228621 1371498 CCOC1=CC=C(C=C1)/C=C/2\C(=S)NC(=O)S2 1 3.173 1 2 -0.403570694885808 1371495 C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC=CO3)SC4=C2CCCC4 1 3.848 3 3 -39.3338408624488 1371459 C1CN(CCN1CC2=CC=CC=C2)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 3.147 3 3 -3.38587124090951 1371449 CCC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CN=CC=C3 1 3.723 3 2 -13.3344708742899 1371413 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NC3=CN=CC=C3 1 2.483 3 5 0 -13.097818463629 1371412 COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)N(C(=S)S2)CC(=O)NC3=CN=CC=C3 1 2.483 3 5 0 -13.097818463629 1371401 CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)C3CC3 1 2.245 3 3 -9.61539734727024 1371392 CC(=NNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.211 3 4 0 -7.18785236515189 1371384 CC1=CC=C(O1)/C=C/2\C(=S)NC(=O)S2 1 2.382 1 2 0.824211943278897 1371340 CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=CC=CC=C2)C3=CN=CC=C3 1 3.366 3 2 -7.57892850591728 1371333 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 1.868 3 6 0 -10.3257218367481 1371306 C1COCCN1C(=O)CCCN2C(=O)/C(=C/C3=CC(=CC=C3)Br)/SC2=S 1 3.318 2 3 -13.7663657671451 1371299 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC(=C2)C)C 1 1.428 4 4 0 -11.8381378052259 1371285 COC1=C(C=CC(=C1)NC(=O)COC2=CC=CC=C2[N+](=O)[O-])NC(=O)C3=CC=CO3 1 2.507 3 7 0 -16.3710358113396 1371284 C1CN(CCN1CC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)Br 1 3.568 2 1 -3.72661373096895 1371253 COC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)N3CCOCC3 1 2.104 2 5 0 -19.6466841064212 1371243 COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2Cl)NC(=O)C3=CC=CO3 1 3.442 2 4 -12.0655557338433 1371168 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br 1 5.008 5 3 0 -12.8770649135397 1371162 CC1=CC=CC=C1OCC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)OC 1 3.099 2 5 0 -12.5701524097759 1371146 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3 1 1.837 4 4 0 -10.6650537581347 1371138 C1CCN(C1)C(=O)CN2C(=O)/C(=C/C3=CC(=CC=C3)Br)/SC2=S 1 3.522 2 2 -8.33494940216498 1371136 CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=NCCS3 1 4.362 3 2 -19.5430290391663 1371131 C1=CC=C(C(=C1)C(=O)NN=CC2=CC(=CS2)Br)[N+](=O)[O-] 1 3.279 3 3 -4.55759836650066 1371119 C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=N3 1 3.32 3 2 -12.6054147809895 1371078 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4)Cl)Cl)OC 1 6.043 2 3 -5.9535290334907 1371060 CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SCC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 5.261 3 2 -11.5154264831904 1371052 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N3CCOCC3 1 2.199 2 6 0 -20.4941102453211 1371051 COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)N3CCOCC3 1 2.199 2 6 0 -20.4941102453211 1371049 COC1=C(C=C(C=C1)Cl)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C 1 3.414 2 4 -7.06217479276204 1371018 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=N3)F 1 3.525 3 2 -10.7495707803916 1370977 CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=C(S3)Br 1 2.953 2 3 -9.25592187809585 1370973 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 3.441 3 3 -2.13959026067535 1370967 CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)N(CCO)C(C)(C)C 1 3.037 2 4 -9.5714952511841 1370957 CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)NC(=O)C(F)(F)F 1 2.64 3 4 0 -11.8287994487066 1370948 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 4.969 2 3 -4.80854213589252 1370932 CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=C(S2)Br 1 3.374 2 2 -5.16770543347275 1370835 COC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC=CO4 1 2.564 2 6 0 -15.6054651340027 1370828 C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6N5)CCCN3C1 1 4.524 3 2 -1.13340826437948 1370756 C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(C=C23)OCC5 1 3.372 1 3 -7.72172103011048 1370727 C1C(CC(=O)C(=CNC2=C(C=CC(=C2)Cl)Cl)C1=O)C3=CC=CO3 1 3.363 1 3 -9.72920070473359 1370694 CC1=CC2=C(C=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5N4)C 1 4.085 7 1 0 -7.59333340212038 1370670 CC(C)(C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)N(C)C 1 4.005 1 1 -1.18763086004562 1370609 CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCC3=CC=CC=C3C2 1 4.77 1 1 -4.63375940977483 1370566 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)Cl 1 5.254 3 1 -9.02739153021408 1370541 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CN=CC=C3)F 1 2.986 3 2 -11.5085267815221 1370499 CC1=C(C=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3)C(=O)O 1 3.515 2 4 -9.79843602383795 1370376 CC1=CC(=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2)Br 1 3.972 1 2 -8.89850092350004 1370348 C1CN(CCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)F)C(=O)C4=C(C(=CC=C4)F)F 1 4.894 2 2 -3.29996247053449 1370321 CC(C)C(=O)NC1=CC(=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C(C)C 1 3.432 2 4 -16.1836052396873 1370301 CCCC(=O)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=O)CCC)C(=O)O)C(=O)O 1 3.551 2 6 0 -14.607053925382 1370292 CC(C)(C)NC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CO3 1 2.329 3 5 0 -13.9360887084876 1370279 C1CCN(CC1)C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3 1 2.407 3 5 0 -19.5242342314479 1370241 CC1=CC(=C(N1C)C)/C=C\2/C(=O)NC(=S)S2 1 2.431 2 1 1.67512721535714 1370231 CCC1=NN=C(S1)NC(=O)CSC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.605 4 2 -9.635339983379 1370228 CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)Br 1 3.926 2 3 -3.58006441319935 1370226 CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)O)C(=O)O 1 2.226 2 6 0 -14.4500135397222 1370213 CC1=C(C(=O)N2C(=N1)C(=C(N2)CC3=CC=C(C=C3)OC)C4=CC=CC=C4)Cl 1 3.215 3 2 -2.53373313975751 1370212 CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CSCC2=CC=CC=C2 1 3.415 2 2 -19.540366511507 1370112 COC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CCCCC4)OC 1 4.147 4 3 0 -14.9636634522447 1370094 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=NC=C3 1 2.059 2 2 0.760374296987031 1370032 CC(C)CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3S(=O)(=O)N 1 2.648 3 5 0 -9.3660958732304 1370002 C1COCCN1CCNC(=O)C2=C3N=C(C=C(N3N=C2)C4=CC=CC=C4)C5=CC=CC=C5 1 3.031 5 2 0 -12.0642956696774 1369963 C1=CC(=CC(=C1)OC(=O)C2=CC(=CC=C2)Br)C=NNC(=O)C3=CN=CC=C3 1 3.713 3 3 -12.2340346244111 1369923 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4OC 1 2.947 2 5 0 -15.7150583337107 1369877 C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br 1 4.182 2 2 -8.52225263882178 1369870 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=CO5 1 3.368 4 4 0 -12.5544179400728 1369833 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=CC=C2OCC3=CC=CC=C3 1 4.439 2 3 -0.214225018020315 1369799 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)N=CC=C4 1 4.349 3 3 4.33456663268683 1369781 CC(C)CNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC(=O)C 1 2.782 2 4 -15.0072322908769 1369751 COC1=CC=C(C=C1)CC2=C(C3=NC4=C(CCCC4)C(=O)N3N2)C5=CC=CC=C5 1 3.901 3 2 -5.8028209598146 1369711 COC1=CC=C(C=C1)N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.849 3 4 0 -17.1331644166806 1369701 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br 1 3.777 2 4 -9.31431360463356 1369677 C1=CC(=C(C=C1C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-])Cl 1 2.433 2 7 0 -10.7456536707815 1369664 COC1=CC=CC=C1NC(=O)C2=CN=C(C=C2)C(=O)NC3=CC=CC=C3OC 1 2.644 3 4 0 -13.8789538298952 1369629 CCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC(C)C 1 3.171 2 4 -16.0995671797802 1369605 CC1=C(C=C(C=C1)C2=NC3=C(O2)N=CC=C3)NC(=O)COC4=CC=C(C=C4)C(C)(C)C 1 4.835 3 3 2.86414871044141 1369584 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CO3 1 0.608 2 5 0 -25.9107898242893 1369552 C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=CC=CC=C3 1 2.699 2 6 0 -8.13616460796293 1369549 C1=CC=C(C=C1)N2C=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.831 3 2 0.543185371881508 1369537 C1=CC=C(C=C1)NC(=S)NN=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O 1 5.585 3 3 -4.86225572173378 1369526 CC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)OC(=O)C)C 1 4.759 1 4 -6.92767823009989 1369516 CC1=C(C=CC(=C1)OCC(=O)NCC2=CC=C(C=C2)OC)Br 1 3.675 1 3 -8.65812303911398 1369444 COC1=CC=C(C=C1)OCCN2CCOCC2 1 1.623 1 3 0 0.187903336269247 1369409 CC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3)C 1 4.406 2 2 -9.34038720668389 1369404 C1=CC(=CC(=C1)OCC2=C(C=C(C=C2)Cl)Cl)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O 1 5.424 1 4 -7.73025242032231 1369394 C1=CC=NC(=C1)C(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.287 4 5 0 -14.5572273999093 1369361 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O 1 2.236 2 7 0 -10.0809549897425 1369330 CC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CCCCC3)C 1 4.833 2 2 -2.5720919520247 1369324 C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C3=CC=CC=C3F 1 3.234 2 4 -10.6117544339669 1369323 CCOC1=C(C=CC(=C1)C=NNC(=O)COC2=CC=CC(=C2)C)OC(=O)C3=CC=CS3 1 4.722 2 5 0 -13.4123926832168 1369299 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.573 3 4 0 -12.8992002270426 1369283 CC(C)C1=CC(=O)N2C(=N1)C(=C(N2)CC3=CC=C(C=C3)OC)C4=CC=CC=C4 1 3.69 3 2 -1.88065212290623 1369263 C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)F 1 3.598 3 3 -12.3748350505698 1369182 CCOC1=C(C(=CC(=C1)C=NNC(=O)N)Br)OCC2=CC=CC=C2 1 3.457 3 3 -8.0339690112218 1369151 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC(=C2)C(=S)N3CCOCC3 1 3.738 1 6 0 -16.3526219526374 1369114 COC1=C(C=C(C(=C1)NC(=O)C2=CN=CC=C2)Cl)NC(=O)C3=CC=C(C=C3)Cl 1 3.561 3 3 -7.55144789467761 1369102 COC1=CC2=C(C=C1)C(=C(S2)C(=O)NN=CC3=CC4=C(C=C3)OCO4)Cl 1 4.252 2 4 -3.66225271620909 1369092 CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 4.149 4 2 4.15711942856445 1369085 COC1=CC(=CC(=C1OC)OC)C=NC2=C(N=C3N2C=CC=C3)C4=CC(=C(C=C4)O)OC 1 4.345 3 5 0 2.77707704558247 1369021 C1=CC(=CC(=C1)OC(=O)C2=CC(=CC=C2)Br)C=NNC(=O)C3=CC=NC=C3 1 3.713 3 3 -11.4129483309387 1369071 COC1=CC=CC=C1N2CCN(CC2)N=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.735 4 3 0 0.355560137010139 1369066 CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.149 4 2 2.92732943716379 1369060 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=C(C=C(C=C3)OC)OC 1 4.457 2 4 -17.0897266586369 1369051 CC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NN=CC3=CC=C(C=C3)C(=O)OC 1 2.654 4 3 0 -6.25508133074969 1369048 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=CC=N2)OC(=O)C3=CC=CS3 1 3.679 3 4 0 -16.8084036459027 1368971 C/C(=C/1\C(=O)N=C(S1)N2CCOCC2)/C3=CC=C(C=C3)Br 1 3.291 2 2 -6.53347734828445 1368915 CCOC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.818 3 4 0 -3.88046125177083 1368901 CC1=CC(=C(C=C1)CN2CCN(CC2)N=CC3=CC=C(C=C3)C(=O)O)C 1 0.672 3 2 0 1.09179432952891 1368835 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC 1 1.148 2 7 0 -11.764872554575 1368833 C1CN(CCN1CC2=CC=CC3=CC=CC=C32)N=CC4=CC=C(C=C4)C(=O)O 1 0.608 3 2 0 2.79526480272013 1368817 C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)NC3=CC=CC=N3 1 3.239 3 3 -8.80892668012993 1368755 CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=CC(=C(C=C3)OC)Br 1 4.322 3 1 4.33762031263834 1368716 C1COCCN1C(=NC2=CC(=CC=C2)Br)C3=CC=CC=C3Cl 1 4.181 2 1 -1.37064613138541 1368648 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=CC=N2)OC(=O)C3=CC=CC=C3Br 1 4.125 3 4 0 -12.808000047022 1368638 CC1=C(C(C(=C(N1C)C)C(=O)OC)C2=CC(=C(C=C2)F)Br)C(=O)OC 1 3.361 1 4 -11.2721066531136 1368631 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 3.473 1 5 -13.4276885892241 1368625 CC1=CC=CC=C1NC2=NC3(CCCC3)N=C(N2)N 1 2.38 5 0 0.248575265970429 1368597 C1=CC=C(C=C1)CNC(=O)CC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)Cl 1 2.894 5 2 0 -14.8363154076003 1368581 CC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 4.055 3 2 -9.8021889683279 1368577 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=NC=C3 1 2.915 3 6 0 -14.34611901686 1368574 CCOC1=C(C=CC(=C1)C=NNC(=O)CNC2=CC=C(C=C2)C)OC(=O)C3=CC=CC=C3 1 4.594 3 4 0 -17.5473495627173 1368524 COC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N 1 1.98 2 2 0 -2.43821395741962 1368511 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N(C)CC3=CC=CC=C3 1 4.702 2 2 -10.3889896991764 1368509 CC1=CC=C(C=C1)C(=O)N(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(C)C 1 3.125 3 2 -11.7475647604148 1368502 COC1=CC=CC=C1N2CCN(CC2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.735 4 3 0 1.5853501284108 1368456 C1=CC(=CN=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.859 4 5 0 -13.7133431785725 1368451 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)OC(=O)C3=CC=CO3 1 2.692 3 5 0 -12.5063488411119 1368416 CCOC1=C(C=CC(=C1)C=NNC(=O)COC2=CC=C(C=C2)C)OC(=O)C3=CC=CS3 1 4.722 2 5 0 -14.2670033416092 1368415 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.747 3 7 0 -17.8561322164748 1368313 C1CN(CCN1C2=CC=C(C=C2)F)C(=S)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 5.601 3 3 3.72842470110102 1368296 CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=CC=C3 1 6.196 2 2 -17.7251868442035 1368289 CCC(=O)OCCN1C(=O)C2=CC3=C(C=C2C1=O)C(=O)N(C3=O)CCOC(=O)CC 1 0.908 2 8 0 -9.09473380117174 1368283 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=C(C=C3)C 1 4.556 2 3 -7.6529782983493 1368271 CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2)C)SC3=CC=C(C=C3)[N+](=O)[O-] 1 4.072 3 4 0 -4.52769080673947 1368260 C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br 1 4.141 3 3 -11.9480101215002 1368256 CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=CC=C(C=C3)C(F)(F)F 1 4.533 3 0 8.26875133548806 1368254 COC1=C(C=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=C3)Br 1 3.925 3 1 3.69851194096064 1368253 C1=CC=C(C=C1)C(CCNC(=S)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 6.821 2 0 -10.8591289606775 1368249 COC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C(=O)C4=CC=CC=C4C3=O)C(F)(F)F 1 4.825 0 5 1.4669434755363 1368235 CC1(OCCO1)CC(=O)NN=CC2=CC3=C(C=C2Br)OCO3 1 1.346 2 5 0 -10.2000203776189 1368228 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)OC(=O)C3=CC(=CC=C3)F 1 3.153 3 4 0 -12.7822644159924 1368209 CC1=CC(=NC2=C1C=CC(=C2)OC)N3CCN(CC3)C4=CC=C(C=C4)F 1 4.402 3 1 8.0078702507758 1368178 C1CCN(CC1)C2(CCN(CC2)C(=S)NC3=CC=C(C=C3)Cl)C(=O)N 1 3.664 4 1 -11.5705891132524 1368140 C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3 1 2.291 2 4 -12.0149973643358 1367999 CC1=CC=C(C=C1)N2CCN(CC2)C(=S)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 5.882 3 3 3.01654767563577 1367993 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NCC4=CC=CO4 1 4.566 2 4 -17.6517289287037 1367983 COC1=C(C=C(C(=C1)NC(=O)C2=CN=CC=C2)Cl)NC(=O)C3=CC=CC=C3 1 2.896 3 3 -9.00560847118241 1367954 C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=CC(=C3)C=NNC(=O)COC4=CC=CC=C4[N+](=O)[O-] 1 3.613 3 8 0 -17.1779357185576 1367866 COC1=CC=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)N3CCOCC3 1 2.232 2 4 -16.8573796895872 1367857 C1=CC=C(C=C1)/C=C(/C=NNC(=O)C2=CC=CC=C2[N+](=O)[O-])\Br 1 3.39 3 3 -11.7924700467393 1367850 CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)S(=O)(=O)C)C 1 3.38 4 4 0 -22.7118176507876 1367800 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)Cl 1 2.28 4 2 -11.0882577224167 1367796 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)N3CCOCC3 1 2.553 2 4 -16.3019789759388 1367790 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)S2)OC(=O)C3=CC=CO3 1 4.001 1 5 -5.39352277285639 1367782 C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl)O 1 5.483 2 3 3.43800015561943 1367771 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(CC3=CC=CC=C3)C(C)C 1 4.764 2 2 -7.62453616213181 1367702 CCOC(=O)C1=C(SC2=C1CCN(C2)CCC3=CC=CC=C3)NC(=S)NC4=CC=CC=C4 1 6.488 3 2 -12.6883002719725 1367688 CC1=C(C(=NN1CC2=C(C=CC(=C2)/C=C/C(=O)C3CC3)OC)C)[N+](=O)[O-] 1 3.325 3 4 0 -9.11570111631969 1367663 C1=CC=C(C=C1)/C=C/C=C(\C(=O)NC2=CC=CC(=C2)C(=O)O)/NC(=O)C3=CC=CC=C3 1 3.669 2 4 -11.7599990237401 1367645 C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3)Cl 1 4.748 3 2 -5.15439142711457 1367642 CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NN3C=NN=C3)OC)C)[N+](=O)[O-] 1 1.584 7 3 0 -5.24854528582464 1367633 CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CO2)C3=NC4=C(O3)C=CC=N4 1 4.143 4 3 0 -2.02509677205152 1367537 C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.851 5 3 0 -11.3096626329379 1367557 CC(C)C12CN3CC(C1=O)(CN(C2)C34C5=CC=CC=C5NC4=O)C(C)C 1 2.714 3 2 -8.49293846488989 1367581 C1N=C2N(CN1C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(S2)(CO)CO 1 2.648 3 3 -11.1930122567821 1367566 COC1=C(C=C(C=C1)CC2=NOC(=N2)C3=CC=CC=C3)OC 1 3.147 2 3 -5.29821046539842 1367532 C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=CC=C5 1 5.008 3 3 -7.20177026362277 1367528 C1CN(CCN1CC2=CC=CC=C2Cl)N=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 4.327 4 2 2.29311998786647 1367481 CC(=O)OC1=C(C=C(C=C1)C=NN2CCN(CC2)CC3=CC=C(C=C3)Cl)OC 1 3.52 3 3 1.06915466325926 1367455 CC1=CC(=C(C=C1)CN2CCN(CC2)N=CC3=CC=C(C=C3)SC)C 1 4.618 3 0 6.58091529125878 1367422 C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CO2)C3=NC4=C(O3)C=CC=N4 1 3.657 4 3 0 -0.521950836866425 1367387 C1=CC(=C(C=C1Cl)Br)OCC2=NC(=NO2)C3=CC=NC=C3 1 3.242 3 2 6.92142045173398 1367338 COC1=CC=C(C=C1)/C=C(\C(=O)NC2=CC=CC(=C2)C(=O)O)/NC(=O)C3=CC=CC=C3 1 3.184 2 5 0 -17.0886128534993 1367315 C1=COC(=C1)CNC(=O)/C(=C/C2=CC=C(C=C2)Cl)/NC(=O)C3=CC=CO3 1 2.819 2 4 -17.1316578710632 1367310 CC1=CC=C(C=C1)OCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC 1 4.373 2 5 0 -13.5832726781812 1367302 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=CC=N2)OC(=O)C3=CC=C(C=C3)F 1 3.931 3 4 0 -14.7224196506088 1367288 COC1=CC=CC=C1C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.184 2 5 0 -18.3274747852311 1367277 C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=N3)Br 1 4.141 3 3 -10.5801677099807 1367274 CC1=C(C(=O)N=C(N1)SC)CC2=CC=CC=C2 1 2.902 2 1 -9.84674912260955 1367269 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=CC=N2)OC(=O)C3=CC=C(C=C3)Br 1 4.125 3 4 0 -14.1758424585416 1367260 CC1=CC=C(C=C1)NCC(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3 1 3.657 3 4 0 -12.2988320217322 1367189 CC1CCN(CC1)C2=NC3=NON=C3N=C2NC4=C(C=CC(=C4)OC)OC 1 2.159 6 3 0 -15.6221838554557 1367184 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC4(CCCCC4)CC5=CC=CC=C53 1 3.757 4 1 -10.2442327348724 1367143 COC1=CC=CC=C1N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Cl)Br 1 4.105 2 3 -0.61683024339285 1367038 CC1=CC=CC=C1C(=O)NC(CC=C)(CC=C)C2=CC=CC=C2 1 4.868 1 1 -13.326686232364 1367033 CCC1(CC2=CC=CC=C2C(=N1)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)CC 1 3.672 4 1 -10.6782719826177 1366936 COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=NNS(=O)(=O)C3=CC=CC=C3 1 3.808 2 5 0 -4.21677981082016 1366893 CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)CCCN3CCOCC3 1 1.743 2 5 0 -25.8381403030541 1366886 CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3=CC=CC=C3C 1 3.63 1 4 -23.9569698295704 1366848 COC1=C(C2=C(C=C1)C(=NOC(=O)C3=CC=CC=C3SC)CCC2)[N+](=O)[O-] 1 4.325 2 5 0 -6.82758076734484 1366716 COC1=C(C2=C(C=C1)C(=NOC(=O)C3=CC=CC=C3OC)CCC2)[N+](=O)[O-] 1 3.767 2 6 0 -2.27510316774598 1366713 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)Br 1 4.899 3 1 -3.98860352874154 1366707 CC1=C(N=CC=C1)N2C(=NC3=CC=CC=C3C2=O)CN4C(=O)C5=CC=CC=C5C4=O 1 3.034 4 3 0 -6.2929668041275 1366697 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.403 3 3 -6.53319932410398 1366692 COC1=C(C=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4)OC 1 4.434 3 2 2.86768087243243 1366690 CCC1=CC=CC=C1NC(=O)/C(=C/C2=CC=C(O2)SC3=CC=CC=C3)/C#N 1 5.502 2 2 -13.8371025565076 1366680 CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)CC(CC2=O)C3=CC=C(C=C3)OC 1 3.037 1 5 -13.5703544788918 1366678 COC1=C(C2=C(C=C1)C(=NOC(=O)C3=CC=CC4=CC=CC=C43)CCC2)[N+](=O)[O-] 1 4.692 2 5 0 0.367887608230129 1366631 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5 1 2.918 3 4 0 -5.59739464219007 1366616 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5 1 2.597 3 4 0 -7.35122975454595 1366615 CC1=C(C(=CC=C1)NC(=O)/C(=C/C2=CC=C(O2)SC3=CC=CC=C3)/C#N)C 1 5.532 2 2 -10.6395228405901 1366577 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 0.848 3 5 0 -17.9598586861702 1366565 CN1C2=CC=CC=C2C(=NOC(=O)C3=CC=CC=C3Br)C1=O 1 3.179 2 3 5.99943327443452 1366543 C1=CC=NC(=C1)C2=NOC(=N2)COC3=C(C=C(C=C3)Cl)Br 1 3.671 3 2 5.22748109945853 1366509 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC4=CC=CC=C4C(=O)N3CCCN5C=CN=C5 1 1.635 5 3 0 -3.43997326003552 1366454 CC1=NC(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)CN4C(=O)C5=CC=CC=C5C4=O 1 2.831 4 3 0 -4.62556002315636 1366419 CN1C2=CC=CC=C2N=C1N3C(=NC4=CC=CC=C4C3=O)CCN5C(=O)C6=CC=CC=C6C5=O 1 3.671 5 3 0 -6.28014179318668 1366369 CC1(CC(=CC(=O)C1)NCCN2CCN(CC2)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C 1 3.106 4 2 -16.5327407466923 1366317 CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=C(N(N=C3C)C4=CC=CC=C4)C 1 4.506 6 1 0 -1.09668878001869 1366304 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NN=CC3=C(C(=CC=C3)OC)OC 1 2.993 5 3 0 -14.6477292063692 1366294 CC1(CC(=O)C(=CNC2=CC(=C(C=C2C(=O)OC)OC)OC)C(=O)C1)C 1 1.846 1 6 0 -17.4191496552434 1366257 C1CCN(CC1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC(=CC=C3)Br 1 4.269 3 2 -9.6091689408906 1366210 C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5 1 4.83 4 3 0 5.32783351146397 1366188 C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.997 3 3 -7.72814304736983 1366159 CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)C 1 3.245 1 5 -12.5801337187066 1366132 C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.818 2 2 -6.76015057582885 1366110 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=N5 1 2.796 4 3 0 -7.49978477085274 1366097 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5 1 3.369 4 2 -11.9007764820933 1366085 CC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 1 5.111 4 3 0 4.61595648599872 1366060 CC1=CC2=C(C=C1)OC(=N2)C3=C(C(=CC=C3)NC(=O)C4=CC=C(O4)Br)C 1 5.001 2 3 5.06730139706869 1366009 C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=CC=N3)S(=O)(=O)C4=CC=CC=C4 1 4.28 3 3 -11.4125185061626 1366003 C1[C@@H]([C@H](C(=O)C=C1C2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-])C4=CC=CS4 1 3.858 3 3 -6.06661127168833 1365953 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=C(C=CC=C3Cl)F 1 4.099 3 2 -9.3998847722348 1365909 CC1=NC(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)CCN4C(=O)C5=CC=CC=C5C4=O 1 3.079 4 3 0 -5.85547679200495 1365889 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NN=CC3=C(C=CC(=C3)OC)OC 1 2.993 5 3 0 -14.5490899490868 1365873 COC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 4.047 2 3 -7.94489595088477 1365871 COC1=C(C2=C(C=C1)C(=NOC(=O)C3=CC(=C(C(=C3)OC)OC)OC)CCC2)[N+](=O)[O-] 1 3.735 2 8 0 -5.66261904784557 1365867 C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.274 2 2 -7.11461908999693 1365837 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 1.169 3 5 0 -18.5861278969576 1365756 C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5 1 4.624 4 3 0 3.84840860763527 1365739 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC(C)(C)C 1 2.521 2 4 -15.3754026813589 1365704 CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O 1 2.291 2 7 0 -21.7864615492996 1365629 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCC(=O)NC3=CC=CC=C3)OC 1 3 2 5 0 -13.4568442734046 1365612 C1COCCN1C(=O)CCN2C(=O)/C(=C\C3=CC=C(C=C3)Cl)/SC2=O 1 2.014 2 4 -10.9096588827172 1365609 CCOC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl 1 5.097 2 3 -4.89300364784173 1365592 COC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3 1 2.713 3 3 -9.49611659019215 1365588 C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=NC=C3)C4=CC=CC=C4 1 3.706 5 1 5.33092942955045 1365530 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC(=NN3)C4=CC=CC=C4)Cl 1 3.798 4 3 0 4.42360130547315e-003 1365524 CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC=C(O4)Br 1 5.001 2 3 5.75158115071556 1365516 COC1=C(C(=C(C=C1)C=NN2C(=NN=C2SC)C3=CC=CC=C3)OC)OC 1 4.004 4 3 0 2.78653313278575 1365503 C1CCN(CC1)C(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=O 1 2.579 2 3 -11.3353049406128 1365490 CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)OC 1 3.125 2 6 0 -18.5383640551 1365450 C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CN=CC=C5 1 2.606 3 4 0 -8.99427082018534 1365436 C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CC=NC=C3)F 1 2.243 4 3 0 -16.2597833413904 1365409 COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)OC 1 3.688 3 3 -10.6188668688913 1365399 C1=CC(=CC=C1CN2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O 1 3.53 2 7 0 -2.78610741499064 1365390 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=C(C(=CC=C3)OC)OC 1 3.197 3 4 0 -8.18962860934434 1365366 COC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4 1 4.803 4 3 0 5.16708902417809 1365360 CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)/C=C/C4=CC=CO4)C 1 4.792 4 2 -3.94307487843737 1365358 C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=CC=C3C(=O)O 1 3.392 1 5 -6.76301174332005 1365339 CC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4 1 5.306 4 2 5.58005523332222 1365275 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Br 1 3.983 2 3 -8.2679757033206 1365266 COC1=CC=CC(=C1OC)C=NN2C(=NN=C2SC)C3=CC=CC=C3 1 4.02 4 2 2.937142514314 1365247 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3OC 1 3.476 3 5 0 -9.47015539831322 1365238 CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4N3)C)[N+](=O)[O-] 1 4.768 4 4 0 -5.29912331155928 1365202 CCOC1=CC=CC=C1NC(=O)CN(C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.354 3 8 0 -22.0582954673334 1365195 C1=CC=C(C=C1)CCNC(=O)COC2=CC=C(C=C2)C=NNS(=O)(=O)C3=CC=CC=C3 1 3.334 3 4 0 -11.3661091765017 1365179 COC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=O)N(N3)C4=CC=CC=C4 1 4.85 3 2 2.77714274355395 1365123 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N3CCOCC3 1 2.735 2 3 -16.5615073410492 1365122 CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)NC3=CC=CC=C3F 1 4.516 2 2 -5.48030482111301 1365121 CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)N3CCOCC3 1 2.735 2 3 -16.5615073410492 1365111 CC1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=O)CN3CCCCC3 1 3.995 3 2 -5.10165392468036 1365091 C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)F)NC(=O)C3=CC=C(C=C3)F 1 3.81 2 2 -4.79826923181046 1365020 COC1=CC=CC=C1N2CCN(CC2)CCC3=NNC(=S)N3C4=CC=CC=C4 1 3.881 5 1 -2.04476678721153 1365019 C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC=CC=C3F)F 1 3.81 2 2 -7.11640464628442 1364981 C1=CC=C(C(=C1)C(=O)OC2=CC=CC(=C2)C=NNC(=O)C3=CN=CC=C3)Cl 1 3.629 3 3 -10.3912584716012 1364949 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl 1 4.933 2 3 -0.321733860270753 1364946 CCOC(=O)C1=C(N(C2=C1C(=C(C=C2C)O)OC(=O)C)C)C 1 2.69 1 5 -2.57793494414666 1364890 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3 1 3.35 2 5 0 -9.85637209248396 1364917 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)CC(=O)NCC3=CC=CC=C3 1 2.272 4 5 0 -22.4119781008882 1364876 C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC=CC=C4 1 4.345 2 2 0.701746617879115 1364863 C1CN(CCN1CC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 3.152 2 2 -9.55419736542517 1364857 C1CN(CCN1C2=CC=C(C=C2)C(=O)C3=CC(=CC=C3)F)C(=O)C4=CC=CC=C4Br 1 5.231 2 2 -1.82979226487469 1364854 CC1=C(C=C(C=C1)[N+](=O)[O-])C2=C(N=C(N2)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4 1 5.746 3 4 0 2.03925573805308 1364846 C1CCCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.883 2 2 -10.0842692398007 1364778 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSCC2=C(C=C(C=C2)Cl)Cl)OC 1 3.94 1 5 -14.7299369734671 1364765 CC1=CC=C(C=C1)C(=O)NN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O 1 2.914 2 7 0 -18.8812580983411 1364755 C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4 1 4.819 4 2 4.81250735495878 1364727 CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)SC 1 3.648 2 2 1.68046400608681 1364716 CCN1C(=O)CSC1=NC2=CC(=C(C=C2)Cl)Cl 1 3.765 2 1 -3.1595063837841 1364689 COC1=C(C(=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O)OC 1 2.048 2 7 0 -10.2748013941886 1364686 CCCC1=CC(=O)OC2=CC(=CC(=C12)OCC(=O)OC)OCC(=O)OC 1 2.64 0 8 0 -12.4621560063711 1364677 CC1=NO[N+](=C1COC2=CC=CC(=C2)/C=C\3/C(=O)OC(=N3)C4=CC=CC=C4)[O-] 1 0.492 3 5 0 -8.7702176722701 1364583 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3Cl 1 3.693 2 4 -9.38119420045523 1364552 C1CN(CCN1C2=CC=C(C=C2)C(=O)C3=CC(=CC=C3)F)C(=O)C4=CC(=CC=C4)F 1 4.688 2 2 -1.17268983553409 1364544 COC1=CC=CC=C1C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CC=C4 1 2.8 8 3 0 -23.9128731489126 1364461 CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=NNC(=S)N 1 3.715 4 0 -3.08863609679574 1364364 CS(=O)(=O)N(CC(=O)NC1=CC(=CC=C1)Cl)C2=CC=CC=C2Cl 1 2.912 2 3 -12.5259878246619 1364321 C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)Cl 1 5.232 1 2 -4.17537310671736 1364230 COC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 1 4.608 4 4 0 4.20299027685458 1364199 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=C5 1 3.742 4 3 0 -9.36677054843919 1364117 COC1=CC(=CC(=C1OC)OC)C(=O)NN=CC2=COC3=CC=CC=C3C2=O 1 2.044 2 6 0 -8.3040154729429 1364113 CN1C=CC=C1C=NNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl 1 4.756 3 1 -1.70817650203797 1364090 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)C4=CC=C(O4)Br 1 4.012 2 4 2.08104882717737 1364079 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O 1 5.215 3 3 -15.9654681948477 1364066 C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)NC3=NC4=CC=CC=C4S3)F 1 4.514 3 2 -4.78373165504725 1364036 COC1=CC=C(C=C1)C2=NN(C=C2C=NNS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.543 4 3 0 9.36229947377847 1364012 CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C(C)C 1 4.016 2 2 1.16239098991982 1363999 CC(C)COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)Cl 1 4.634 2 4 -8.70606259584175 1363991 COC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.613 2 5 0 -7.49005746345353 1363961 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)NC3=CC=CC=C3 1 4.596 2 4 -7.53974941498392 1363897 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC3=CC=CC=C3)O 1 4.736 2 3 -3.25298039187335 1363889 C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(O4)Br 1 2.878 3 3 1.7788610616658 1363886 CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br 1 5.839 2 3 -2.71862008913004 1363861 CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)/C=C(/C#N)\C(=O)NCC3=CC=CC=C3 1 4.211 3 3 -16.3578536653124 1363858 COC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)OC 1 4.032 2 4 2.41788942318247 1363820 CC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C)C5=CC=CC=C5 1 5.685 7 1 0 -3.92486188058176 1363799 C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)Br 1 3.457 2 2 -1.89026514971412 1363774 C1C(CC(=O)C(=CNCC2=CC(=C(C=C2)Cl)Cl)C1=O)C3=CC=CC=C3 1 3.907 1 2 -8.09291086797588 1363764 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=NC=C(C=C3)Cl 1 4.542 3 2 -11.5654556786334 1363733 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=NNC(=O)C4=CC=C(O4)Br 1 5.025 4 2 6.29193225878747 1363722 C1C(=O)N(C(=NN=CC2=CC=CC=C2)S1)C3=CC=C(C=C3)O 1 3.491 3 2 -4.89809843548216 1363715 COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=C4)OC 1 4.284 3 3 -4.26520063708658 1363714 CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)/C=C(/C#N)\C(=O)NC3=CC=CC=C3 1 4.204 3 3 -14.491847528222 1363691 COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)OC 1 4.149 2 4 -12.0972406626795 1363670 C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)NC2=NC=C(C=C2)Br 1 3.31 3 3 -4.91060479164343 1363628 CC1=C(C=CC(=C1)C(=O)C2=CC(=CC=C2)C(=O)C3=CC(=C(C=C3)OC)C)OC 1 5.578 0 4 -2.58655481028151 1363594 C1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3)Cl 1 4.098 2 2 -9.27321129388161 1363548 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-] 1 3.563 3 5 0 -2.75390819052272 1363540 CCOC1=CC=CC=C1N(CC(=O)N(C)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.705 2 4 -18.5616346604069 1363518 CC1=NC(=CS1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.889 2 2 4.61843689667199 1363467 COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 4.17 2 2 -4.37259946010398 1363429 C1=CC(=C(C=C1/C=C/2\C(=O)N=C(S2)N)[N+](=O)[O-])O 1 1.649 3 4 0 0.390289468336187 1363403 CC(=NNC(=O)C1=CC=C(C=C1)CN2CCOCC2)CCC3=CC=CC=C3 1 2.906 3 2 -7.74852976635819 1363391 COC1=C(C=C(C(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)[N+](=O)[O-])OC 1 2.508 3 7 0 -7.1622646129961 1363311 CC1=C(C(=CC=C1)C)NC(=O)/C=C/C2=C(C=CC(=C2)Br)OC 1 4.786 1 2 -2.93924196070829 1363299 CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl 1 6.12 1 2 4.07403297659477 1363288 CC(C)NC(=O)C1=CC=C(C=C1)CN2CCC(CC2)CC3=CC=CC=C3 1 4.495 2 1 -5.93768558366019 1363277 COC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)CN3CCOCC3)Cl 1 1.756 4 3 0 -3.65959916145496 1363264 CC(=NNC(=O)C1=CC=C(C=C1)CN2CCOCC2)C3=CC(=CC=C3)NC(=O)C 1 1.545 4 3 0 -9.84585778775248 1363211 CC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.72 2 3 -7.63886608619197 1363188 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=C4 1 4.301 3 2 0.651951902802209 1363107 C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)N)[N+](=O)[O-] 1 3.728 3 2 -3.22649990950186 1363089 CC1=CC2=C(C=C1)OC(=N2)C3=C(C(=CC=C3)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-])C 1 5.4 3 4 0 3.96703950449819 1363072 CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N4C5=CC=CC=C5N=C4S3)C 1 5.655 3 1 -7.84799095250067 1363034 COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3OC)OC 1 2.859 2 4 -9.56892939138852 1363031 C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C=C2)O)Br)/C#N 1 3.434 2 2 -9.71318212568095 1362960 CC1=CC=C(O1)C(=O)NN=CC2=CC=C(O2)C3=C(C=C(C=C3)Br)[N+](=O)[O-] 1 4.071 3 5 0 -0.695922323764445 1362916 C1=COC(=C1)C2=NN=C(O2)C3=CC=C(C=C3)Br 1 3.197 2 2 4.789059586559 1362800 CN(C)C1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)CN3CCOCC3)Br 1 3.355 4 2 -7.42553670565884 1362778 C1COCCN1CC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)OC4CSC4 1 2.889 3 3 -7.14655336802364 1362668 CC1=C(C=C2C(=C1)C3=C(C(N2C(=O)CN4C(=O)C5=CC=CC=C5C4=O)(C)C)SSC3=S)C 1 4.795 2 3 -23.6489993963626 1362654 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3 1 3.529 2 2 -4.35320299054998 1362650 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl 1 3.313 2 3 -18.6286297989582 1362633 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.267 2 4 -12.8158490118807 1362623 COC1=C(C=C(C=C1)C=NN2CCOCC2)COC3=CC=C(C=C3)Cl 1 3.466 2 3 -2.1630542374548 1362596 CC(=NNC(=O)C1=CC=C(C=C1)CN2CCOCC2)C3=CC=C(C=C3)NC(=O)C 1 1.545 4 3 0 -10.6787415597377 1362586 COC1=C(C=C2C(=C1)CC3(CCCC3)N4C2=NN=C4C5=CC=CS5)OC 1 4.503 3 2 -4.70686040546972 1362561 CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2 1 4.021 3 2 -8.91416399103054 1362411 CC1=CC(=C2C(=CC(=NC2=C1C)C)NC3=CC=CC=C3)[N+](=O)[O-] 1 4.715 3 2 0.929039978424872 1362368 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=CC(=NN3)C4=CC5=CC=CC=C5C=C4 1 4.928 6 1 0 2.77784107477414 1362352 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3O)F 1 2.748 2 4 -1.91748994903346 1362348 CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)Cl)Cl 1 4.455 2 4 -7.94329765456732 1362311 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=C3C(=O)C4=CC=CC=C4C3=O 1 5.068 1 2 0.907596537223908 1362278 C1=CC=C2C=C(C=CC2=C1)NC(=O)/C(=C/C3=CC(=CC=C3)Br)/NC(=O)C4=CC=CO4 1 4.623 2 3 -9.92928350389222 1362259 CC1(CC2=C(C(C3=C(N2C4=CC=C(C=C4)OC)CC(CC3=O)(C)C)C5=CC=CC=C5OC)C(=O)C1)C 1 5.438 1 4 -16.0663215300006 1362254 C1=CC=C(C=C1)/C=C(\C(=O)NC2=CC=CC(=C2)C(=O)O)/NC(=O)C3=CC=CC=C3 1 3.201 2 4 -17.1406219234878 1362219 COC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=O)N2)Br)OCC3=CC=CC=C3 1 3.035 2 4 -9.79914856531531 1362117 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CN2C3=CC=CC=C3N=N2 1 2.296 5 4 0 -17.3676374024081 1362095 C1CN(CCN1C2=CC=CC=N2)N=C/C(=C/C3=CC=CC=C3)/Br 1 3.394 4 0 -1.39676045312838 1362085 COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)F 1 3.145 4 2 -8.75969989088626 1362037 CC(=O)NC1=CC(=C(C=C1OC)NS(=O)(=O)C2=CC=C(C=C2)F)OC 1 1.61 2 5 0 -10.0392232178902 1362017 CCNC(=S)NNC1=NC(=NC(=N1)N2CCOCC2)N3CCCCC3 1 1.264 8 1 0 -7.30832496046116 1362004 COC1=C(C=C(C=C1)C2(CCCC2)CNC(=O)/C=C/C3=CC=CO3)OC 1 3.906 1 4 -17.1505739869458 1362001 CC(=O)NNC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)OC 1 2.93 4 3 0 -16.5680182529043 1361981 CCSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC 1 4.84 4 2 -20.3865018658087 1361928 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3 1 1.887 2 4 0 -20.1165126432785 1361912 COC(=O)C1=CC=C(C=C1)C=NN2CCN(CC2)CC3=CC=C(C=C3)Cl 1 3.624 3 2 2.09113006885053 1361906 CC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)CN3CCN(CC3)C4=CC=C(C=C4)F 1 5.061 4 2 -2.31499717118393 1361816 CC1=C(C=C(C=C1)Cl)N(CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC)S(=O)(=O)C4=CC=CC=C4 1 6.026 2 4 -13.9396143244699 1361810 CC1=C(C(=NC(=N1)C(F)(F)F)NC2=CC=C(C=C2)Br)C#N 1 3.457 4 0 -2.43046832755561 1361775 CC(C)CCN1C(=O)C(=CN(C1=O)CC2=CC(=C(C=C2)OC)[N+](=O)[O-])F 1 2.352 3 5 0 -11.2653977099982 1361768 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)C4=CC=CC=C4Cl)N)C 1 2.991 3 2 -17.6762476485011 1361743 CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=CC=C(C=C3)C(=O)OC 1 3.446 3 2 0.269131378263715 1361660 C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)OCC(=O)NC3=CC(=CC=C3)Cl 1 3.67 3 4 0 -4.25401820844847 1361560 CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CCC(CC3)CC4=CC=CC=C4 1 5.831 2 1 -0.875453880225274 1361501 CC1=CC(=C2C(=C1)N3C(=O)C(=CC4=CC5=C(C=C4)N(C(=O)N5C)C)SC3=N2)C 1 4.249 4 2 -13.5836921678307 1361490 C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=CC=C(C=C5)O 1 4.184 2 3 0.329326571786734 1361446 CCC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2C=CC=C3Br 1 4.058 2 2 -6.00339019249637 1361439 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5 1 3.509 3 3 6.79644920978532 1361396 C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl 1 4.098 2 2 -6.51207236668728 1361333 CC(=O)N(CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)CC3=CC=CO3 1 3.564 1 3 -9.53517432733176 1361371 CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.78 3 4 0 -11.5698420044161 1361354 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C)F)C(=O)O 1 1.577 4 6 0 -18.7514131787453 1361318 COC1=C(C=C(C=C1)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CO4)OC 1 3.567 4 4 0 -14.9279671238439 1361234 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3 1 5.088 2 2 -9.41377918769274 1361220 COC1=CC=CC(=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.286 2 2 2.32943810400724 1361168 COC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=N)S2)C3=CC=C(C=C3)F 1 3.968 2 2 -3.57044120522632 1361107 CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl 1 4.375 4 0 13.3874967113521 1361153 CC(C)CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCC(C)C)Cl 1 3.227 2 4 -6.79119812882241 1361150 CCCC1=NN=C(S1)NC(=O)CNC2=CC=C(C=C2)F 1 2.338 4 1 -12.7494587091411 1361133 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4 1 4.532 2 2 -8.62492002663605 1361093 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C 1 3.055 2 4 -15.2503844037369 1361091 CC1=CC(=NN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OC)Cl)Cl)C 1 3.243 2 4 -10.1793549332248 1361027 CC1=CC=C(C=C1)N(CC(=O)NC2=C(C=C(C=C2)OC)OC)S(=O)(=O)C 1 2.036 2 5 0 -16.7728481046905 1361026 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N)S2)C3=CC=C(C=C3)F 1 3.968 2 2 -3.68753506583245 1361000 COC1=C(C2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)OC 1 3.973 1 5 -10.2317887080387 1360988 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)Br 1 3.706 2 3 -11.7732550045082 1360981 COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=N)S2)C3=CC=C(C=C3)F)O 1 3.726 2 3 -1.99021007880818 1360932 C1CN(CCN1CC2=CC=NC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.163 3 1 -6.0419446193458 1360856 C1OC2=C(O1)C=C(C=C2)N3C(=O)/C(=C/C4=CC=C(O4)C5=CC=CC=C5C(=O)O)/SC3=N 1 4.382 2 6 0 -5.68696679877934 1360847 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.982 3 3 -5.20829963404943 1360838 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 1 4.313 2 3 -9.46773477135816 1360786 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl 1 3.135 2 3 -8.97375970880837 1360764 C1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)N3CCOCC3)N4CCOCC4)Cl 1 1.48 3 5 0 -14.8629844281884 1360720 C1=CC(=C(C=C1Cl)S(=O)(=O)CCC2=NN=C(S2)N)Cl 1 2.437 3 2 -6.8819928604232 1360716 C1=CC=C(C=C1)C2=NN=C(O2)CCS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.588 2 3 -9.98880875184043 1360715 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CCC3=NC4=CC=CC=C4S3 1 4.373 1 2 -4.34346497687995 1360710 COC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)N3CCOCC3)CC4=CC=CC=C4)O 1 3.548 3 5 0 -18.5171800498947 1360708 CC1=CC=CC=C1NC(=O)CSC2=NC(=O)C(=C(N2C3=CC=C(C=C3)OC)O)CC4=CC=CC=C4 1 5.717 3 4 0 -18.3414646550855 1360706 COC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 4.672 1 2 0.243993765449535 1360705 COC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)NC3=CC=C(C=C3)Cl)CC4=CC=CC=C4)O 1 5.895 3 4 0 -13.786360191494 1360701 COC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SC)CC3=CC=CC=C3)O 1 4.594 2 3 -5.54791463188633 1360698 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4 1 4.463 3 2 -2.09829791406235 1360693 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2C3=CC=CC=C3)O)CC4=CC=CC=C4 1 5.733 3 3 -15.7497273301272 1360629 COC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)O 1 3.673 2 4 -10.9142868347639 1360598 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=CC(=CC=C3)F 1 1.952 2 3 0 -7.05818315809415 1360579 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N 1 1.204 2 2 0 -6.44715209923248 1360557 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=C(C=C2)OC(=O)C)OC(=O)C 1 2.408 2 6 0 -2.28699683081305 1360492 CC1=CC=C(C=C1)C2=NN(C=C2C=NNS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 5.046 4 2 9.77526568292261 1360490 C1CN(CCN1C/C=C/C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3 1 2.962 2 2 -9.67976538311513 1360462 C1CC1(C(=O)O)P(=O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl 1 4.77 0 3 -0.4169682003178 1360413 CN(C)C1=CC=C(C=C1)/C=C/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=CC=C3 1 3.276 3 3 1.56756861522113 1360125 CCOC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3 1 2.236 3 6 0 -3.92139692984154 1359975 C1=CC=C(C=C1)/C=C(/C=NNC(=O)C2=NNC(=C2)C3=CC=CO3)\Br 1 3.573 4 2 -4.64374830507953 1359962 COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3 1 1.888 3 6 0 -3.32714802312414 1359955 COC1=CC(=C(C=C1)CN2CCN(CC2)CCCC3=CC=CC=C3)OC 1 4.189 2 2 4.06795714974953 1359710 C1CCCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 3.021 3 4 0 -14.9516957304109 1359639 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CN=C3OC)OC 1 1.83 4 6 0 -17.5169472965783 1359481 CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CNC(=O)NC3=O 1 -0.299 4 5 0 -20.6936299122235 1359438 CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)OC 1 2.433 2 5 0 -14.9301142765013 1359423 CC1=CC(=C(N1C2=CC=C(C=C2)NC(=O)C)C)/C=C\3/C(=O)N=C(S3)NC(=O)C 1 2.274 4 3 0 -10.2291161593942 1359420 COC1=C(C=C(C=C1)/C=C(\C(=O)O)/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC 1 2.278 2 7 0 -19.6308204101922 1359347 CC1=CC=C(C=C1)SC2=CC=C(O2)C=C3C(=O)N(C(=O)N(C3=O)C)C 1 3.4 2 4 -2.54707919464465 1359318 CN(C1=CC=C(C=C1)C(=O)NC2CCCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.59 2 3 -13.6044044164052 1359284 C1=CC(=CC=C1[N+](=O)[O-])OC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O 1 2.046 2 7 0 -9.7446097657142 1359240 CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.195 2 6 0 -13.0727334985408 1359190 CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3 1 2.481 2 3 -8.85390476150785 1359161 CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F 1 2.652 2 3 -5.81656000644913 1359156 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=NC=C4 1 3.58 3 2 -2.8352001807547 1359070 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3 1 3.056 4 6 0 -8.96218348646847 1359010 CC(=NNC(=O)C1=CC(=CC=C1)Cl)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 3.508 3 3 -6.04886636553365 1358989 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)NC2CCCCC2 1 2.012 3 5 0 -13.2658808178417 1358954 CC1=C(C2=CC=CC=C2N=C1C3=C(C=C(C=C3)Cl)Cl)C(=O)NCCN4CCOCC4 1 4.812 3 2 -0.853827989326161 1358953 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CN=CC=C4)OC 1 3.564 3 3 -8.43065885216018 1358931 CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=NC=CN=C2)C(=O)OC(C)C 1 2.469 3 5 0 -20.5286274632235 1358927 CC1=C(SC(=C1C(=O)C2=CC=CC=C2)NC(=O)CN3CCOCC3)C 1 2.466 2 3 -11.6419885711961 1358918 CC1=CC2=C(C=C1)C(=C(S2)C(=O)NCCC3=CC=C(C=C3)OC)Cl 1 5.23 1 2 -0.910389003746421 1358804 COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F 1 2.149 2 4 -6.37480278679283 1358765 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C)C 1 5.056 3 2 -1.74653519839242 1358755 CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC(=O)C 1 4.385 3 4 0 -11.5295927053615 1358747 CC(=NNC(=O)C1=CC=C(C=C1)F)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 3.049 3 3 -7.69104865240967 1358723 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.331 3 2 -4.90086339376577 1358717 C1CN(CCN1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 3.147 3 3 -3.05327489966415 1358686 CC1=CC=CC=C1C(=O)NN=C(C)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.888 3 2 -13.7798652304933 1358622 CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5)C 1 5.205 4 3 0 -9.10813024994319 1358608 C1CCC(CC1)NC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.586 3 1 -13.5682378292076 1358604 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C)C(=O)N 1 4.654 3 2 -5.35880482314723 1358597 CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C 1 2.702 2 2 -7.16644096296401 1358578 CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C 1 5.215 3 3 -13.1381235615497 1358531 C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)Cl)Cl 1 4.358 2 4 -6.55970535931878 1358513 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCCCC3)C 1 4.307 2 1 2.31172010280054 1358512 C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 4.795 3 1 5.30351489080883 1358487 C1CN(CCN1CC2=CC=C(C=C2)Cl)N=CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.663 4 2 3.74244141855887 1358420 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)N)C 1 2.06 3 5 0 -18.1799782450141 1358402 C1COCCN1CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4 1 2.951 3 2 -12.9880306565215 1358388 COC1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 4.454 2 3 -6.72283958834184 1358346 CSC1=CC=C(C=C1)C=NN2CCN(CC2)CC3=CC=C(C=C3)Cl 1 4.31 3 0 8.7001000792124 1358325 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC=CS4 1 3.285 3 2 -6.17796889960485 1358313 COC1=CC=CC=C1N2CCN(CC2)C(=O)COC3=CC=CC4=CC=CC=C43 1 3.6 2 3 -3.86959974791648 1358292 CC(=NNC(=O)C1=CC(=C(C=C1)Cl)Cl)C2=CC=C(S2)Br 1 4.514 2 1 -5.68341881093603 1358290 CCN(CC)C1=CC=C(C=C1)C=NN2CCN(CC2)CC3=CC=C(C=C3)C 1 4.45 4 0 -0.28168779171548 1358289 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.442 3 2 -2.84523895400054 1358244 CC(=NN1CCN(CC1)CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.644 4 2 3.4253634097237 1358235 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC=C4C(=O)CC(CC4=O)(C)C 1 4.518 2 2 -0.619047004181804 1358233 C1=CC(=C(C=C1Br)Br)OCC2=NN=C(S2)N 1 2.814 3 1 1.60456809902689 1358228 CC1=C(C(=NC(=S)N1C2=CC=CC=C2)NCCC3=CC=CC=C3)C(=O)C 1 4.659 3 1 -5.40454653815027 1358216 C=CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.142 2 5 0 -9.7555533156685 1358206 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)NC4=O 1 1.301 3 4 0 -16.6174516223012 1358145 C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)C(=O)O 1 2.982 2 4 -8.97247928006134 1358114 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O 1 2.483 2 7 0 -14.8075760970338 1358093 C1=CC=C2C=C(C=CC2=C1)C3=CN4C=CC=CC4=C3 1 3.952 1 0 3.87520229270503 1358014 COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F 1 2.149 2 4 -6.81538061109184 1357876 CC1=CC(=CC=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC=C(C=C3)CN4CCOCC4)C 1 4.098 4 2 -3.29494143019478 1357871 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NC3=CN=CC=C3 1 2.829 3 3 -9.75129627034883 1357865 COC1=CC(=C(C=C1)N(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC 1 1.877 4 7 0 -22.1534504763067 1357831 CC1=C(C(=NC(=S)N1C2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C 1 2.542 4 4 0 -8.99866756578363 1357768 CC1=C(C=C(C=C1)Cl)N(CC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 4.898 3 3 -15.9709106003311 1357733 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.238 3 3 -5.93823442230784 1357612 CC1=CC(=CC(=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C 1 3.664 2 3 -4.3651954241442 1357611 CC1=C(C(C(=C(N1C2=CC=C(C=C2)OC)C)C(=O)OC)C3=CC=C(C=C3)OC)C(=O)OC 1 4.047 1 6 0 -10.6243557103647 1357605 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CNC(=O)C3=CC=CC=C3 1 3.827 2 3 -13.4161214776996 1357573 CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)C3=CC=C(C=C3)CN4CCOCC4 1 3.611 4 2 -5.95683933997332 1357571 C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)NN=CC4=CC=CC=N4 1 3.958 5 3 0 -3.23303451752532 1357539 CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4)C(=O)C 1 4.59 4 1 -3.16647016528414 1357518 C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CCC(=O)O)Cl 1 3.612 1 4 -11.4274767511462 1357514 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CNC(=O)C3=CC=CC=C3Cl 1 4.491 2 3 -13.7660981014071 1357511 C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)Br)NC(=O)CCC(=O)O)Cl 1 3.612 1 4 -9.06288892431854 1357510 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)Br 1 3.136 2 4 -3.07153412414135 1357497 COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)Br 1 4.425 2 2 -0.610007729923345 1357493 COC1=CC(=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC 1 3.227 3 7 0 -17.0989633409511 1357491 CC(=O)NCC(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2 1 2.162 2 3 -11.7826989057603 1357480 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3 1 4.718 1 5 -10.0768776091767 1357470 CCOC(=O)CC1=CSC(=N1)NC(=O)COC2=CC=CC=C2OC 1 2.098 2 5 0 -14.6976409086722 1357443 CCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC3=CC=CC=C3 1 4.932 3 2 -15.0243044583336 1357439 COC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5CCCCC5 1 4.497 4 3 0 -29.1674080561477 1357428 CCN1C(=O)C2=C(N=C1SCC(=O)OCC)SC3=C2CC(OC3)(C)C 1 2.967 2 4 -34.7389198569041 1357363 CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC=C(C=C3)CN4CCOCC4)C 1 4.098 4 2 -5.47864342371949 1357359 CC1=CC=CC=C1N2C(=CC(=C2C)C=NNC(=O)C3=CC=C(C=C3)CN4CCOCC4)C 1 4.098 4 2 -6.44542692849668 1357309 CC1=C(C(=NN1CC(=O)N2CCCC3=CC=CC=C32)[N+](=O)[O-])Br 1 3.18 4 3 0 -11.7984598865074 1357308 C1CCC(C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br 1 3.187 2 2 -2.24454150035513 1357190 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 0.531 6 4 0 -20.0465033480512 1357172 COC1=CC=C(C=C1)N=CC2=CC=C(O2)CNS(=O)(=O)C3=CC=C(C=C3)Cl 1 4.042 2 4 3.63003849145687 1357171 C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN(C3=CC=CC=N3)S(=O)(=O)C4=CC=CC=C4 1 4.287 3 3 -17.2004659192354 1357132 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-] 1 2.22 4 5 0 -10.0009100582739 1356906 COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)O 1 3.994 2 4 -11.6576499061574 1356907 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)O 1 3.994 2 4 -11.6576499061574 1356908 C1=CC(=C(C=C1C2=CC=C(O2)C=NN3C=NN=C3)Cl)Br 1 3.662 4 1 5.35864296714895 1356889 C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F 1 3.211 3 4 0 -6.19361621316388 1356871 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NNC(=O)CC2=CC=CS2 1 3.095 2 3 -7.1600559290264 1356857 C1CC2=CC=CC=C2N(C1)C(=O)C3=CN=C(C=C3)C(=O)N4CCCC5=CC=CC=C54 1 4.15 3 2 -14.244222863636 1356844 C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CS3 1 3.346 3 3 -13.6874560368143 1356787 C1=CC=C(C=C1)C2=NN(C=C2C=NNS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.559 4 2 9.00771780455917 1356784 CC(C)(C)NC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.105 4 2 -14.0267802092399 1356730 C1C(=O)N=C(S1)NC(=O)C2=CC=CC=C2 1 1.754 2 2 0 -12.0667327586832 1356610 C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=C(O4)Br 1 3.734 3 2 -14.6534497621081 1356516 CN1C(=O)CSC1=NCCC2=CC(=C(C=C2)OC)OC 1 2.383 2 3 -11.0775444245512 1356471 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC(=CC=C4)O 1 4.574 3 2 -3.28502074340842 1356465 C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.53 3 3 -4.60000390519412 1356461 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C5C(=CC=C6C5=C(CC6)C=C4)C3=O 1 3.041 3 3 -9.575327581883 1356398 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)O 1 4.558 3 3 -2.92181298453364 1356383 C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br 1 2.325 1 6 0 -5.83182561492803 1356376 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CC=CC=C3 1 3.483 2 4 -5.02853874413528 1356363 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=NNC(=C3)C(C)(C)C 1 3.902 6 1 0 -3.46011477226604 1356346 COC1=C(C=C(C=C1)Br)C=NN2CCN(CC2)CC3=CC=CC=C3 1 3.836 3 1 5.34781014945496 1356345 CC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.09 3 4 0 -19.6447166574448 1356336 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O)C=O 1 4.701 2 3 8.04246023866495 1356335 COC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 2.067 2 5 0 -22.6587611503654 1356333 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.762 3 2 -12.3871554960985 1356290 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)NC3=CC=C(C=C3)OC 1 3.201 2 6 0 -12.1446895369849 1356269 C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Br 1 3.487 2 5 0 -12.7870479565341 1356260 COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)N)C3=CC=CC=C3)[N+](=O)[O-] 1 3.19 5 4 0 -1.38288803631155 1356232 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3CCN(CC3)C4=CC=C(C=C4)Cl 1 4.512 5 0 5.26159781459847 1356228 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=CC=C4OCC(=O)O 1 4.281 3 4 0 -9.32872634170097 1356215 COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3 1 2.151 2 5 0 -18.8991628909893 1356173 CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)C 1 5.77 2 2 -16.9052540707774 1356159 C1CCN(C1)C=NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N 1 4.234 3 1 1.28040384581393 1356115 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)NC3CCCCC3 1 3.5 2 5 0 -18.0787563621146 1356021 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.764 3 4 0 -20.4410711061367 1355983 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)C4=NN(C=C4CO)C5=CC=CC=C5)CO 1 4.967 4 2 13.8684266913433 1355960 CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3 1 3.796 2 6 0 -5.65792977527129 1355955 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)F)F 1 3.059 2 3 -17.9831782763522 1355934 C1=CC(=CC(=C1)NS(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl)C(=O)O 1 4.378 1 6 0 -8.94752146507325 1355891 COC1=CC(=C(C=C1)OC)N(CC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 3.101 2 7 0 -24.5917212326838 1355914 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NC=C(C=C3)Cl 1 3.366 3 3 -16.213271005538 1355863 CN(C)/C=C/C1=C(C2=C(O1)C=CC(=C2)OC)C(=O)C3=CC=C(C=C3)Cl 1 4.485 1 3 2.75971009511032 1355814 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)NCC3=CC=CC=C3 1 3.225 2 5 0 -11.891909615003 1355812 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)NC3=CC=CC=C3 1 3.218 2 5 0 -12.0567904632265 1355806 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCCCC3 1 2.764 2 5 0 -19.5415772446848 1355763 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)S(=O)(=O)NC3=CC=CC=N3 1 3.463 3 3 -12.6401718855535 1355735 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4 1 4.089 4 3 0 -14.2757195957724 1355709 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)F)Br 1 2.373 2 4 -17.7743196563799 1355696 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.485 3 3 -5.66506953427448 1355692 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5 1 4.946 3 3 -14.0784832066616 1355689 C1=CC(=CC=C1CS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O 1 3.317 0 4 -10.4928333973269 1355684 C1=CC=C(C=C1)/C=C(/C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])\Br 1 3.39 3 3 -9.93671154759009 1355658 CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)N 1 3.171 3 2 -15.2894073372025 1355635 C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=N3 1 2.49 3 3 -9.35100203929581 1355632 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC=C2N 1 2.466 1 5 -9.21752934867447 1355613 COC1=C(C=C(C(=C1)/C=C(\C(=O)NC2=CC(=CC=C2)O)/NC(=O)C3=CC=CC=C3)[N+](=O)[O-])OC 1 3.191 3 7 0 -17.0447132043834 1355582 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)Cl 1 2.868 3 5 0 -21.141014380995 1355556 C1=CC=C2C(=C1)C(=CC=C2Br)S(=O)(=O)NC3=CN=CC=C3 1 2.823 2 2 -3.51433292566736 1355548 CN(C)C1=CC=C(O1)C=NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.294 3 3 -11.3004000005811 1355539 C1COCCN1C(=S)OC2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)Br 1 4.443 2 3 -10.4396345941603 1355435 CC1=CN(C=N1)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)Br 1 3.013 2 2 -4.68876453897864 1355457 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)Br 1 2.523 2 3 -12.9217958995237 1355396 CCOC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=C(C=C2)OC)OCC3=CC=C(C=C3)C(=O)O 1 4.434 2 6 0 -18.1902315252671 2935465 C1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3 1 2.678 3 3 -5.07688377730364 2935446 CC1=C(C=C(C=C1)C(=O)NC2CC(NC(C2)(C)C)(C)C)C.Cl Cl- 1 2.75 2 1 -11.6925554343773 2935429 CC(C(=O)NCCN1CCCCC1)OC2=CC=CC=C2F 1 2.619 2 2 -9.61888923994215 2935327 C1=CC(=CC=C1CC(=NOC(=O)C2=CC=C(O2)Br)N)[N+](=O)[O-] 1 2.279 3 5 0 0.213745241397219 2935293 CC1=CC(=C(C=C1)OCCCCNC(C)C2=CC=CC=C2)C 1 4.992 1 1 3.65591461111686 2935276 CCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CS4 1 3.477 2 5 0 -22.9443717819935 2935268 CC1=CC(=C(C(=C1)OCC(=O)NCC2CCCO2)C)C 1 2.69 1 3 -12.0761931782369 2935263 COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3CCCO3)O)C(=O)C4=CC=CO4 1 1.995 1 7 0 -22.551960252502 2935225 C1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 1.905 3 4 0 -7.27305221032652 2935184 C1=CC=C(C=C1)C(CC2=NC(=NO2)C3=CC=CC=N3)C4=CC=CC=C4 1 4.198 3 1 -0.472128381290247 2935163 C1=CC=C(C(=C1)CC(=O)ON=C(C2=CC=NC=C2)N)[N+](=O)[O-] 1 1.165 4 4 0 -2.38892890085609 2935139 CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)N)C 1 1.69 2 2 0 -4.3237806623164 2935099 CC1=C(C=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)CN3C(=O)C4=CC=CC=C4C3=O)C 1 4.516 1 5 -10.8868408253368 2935086 CC1=CC(=O)OC(=C1C(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C 1 4.074 0 5 -13.8156051737728 2935079 CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCCCC3 1 2.175 4 3 0 -2.70456069160009 2935076 CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3 1 4.495 3 4 0 -22.0402005423896 2935074 CCCS(=O)(=O)C1=NC(=C(S1)NCCCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.175 3 5 0 -19.0146628240187 2935050 C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)Cl)OC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 4.208 1 5 -9.45094203991778 2934880 CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 2.248 2 4 -11.4037464337281 2934783 CCC(C)NCCCCOC1=CC(=CC(=C1)C(C)C)C 1 4.989 1 1 -1.44914364224317 2934767 CCOC(=O)C1=CC=C(C=C1)COC(=O)CNC(=O)CNC(=O)CC2=CC=CC=C2 1 1.627 2 6 0 -18.1788329625751 2934757 C1=COC(=C1)CN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=CS4 1 2.951 1 4 -17.5412686304353 2934754 CC1=C(C=C(C=C1)C(=O)NCCN(C)C)C 1 2.149 2 1 -4.58700943212145 2934682 CC1=CC(=O)OC(=C1C(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2)C 1 3.263 0 5 -11.4540312728819 2934606 CC1CN(CC(O1)C)C2=C(N=C(S2)S(=O)(=O)C)S(=O)(=O)C3=CC=C(C=C3)C 1 3.21 2 5 0 -14.3689505585837 2934605 CCC(=O)NC1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)C)C)C 1 5.906 1 4 -15.3467135443327 2934600 CC1CCN(CC1)C2(C3=C(C=CC(=C3)Cl)NC2=O)O 1 2.395 2 2 -6.21617946699828 2934597 CC1=C(C=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=NC=CN=C3)C 1 3.759 2 3 -11.2609187819486 2934575 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3F)C 1 2.934 4 4 0 -15.5647523054665 2934572 CCCS(=O)(=O)C1=NC(=C(S1)NCCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.113 3 5 0 -19.6582409640539 2934553 CC(C1=CC=CC=C1)NCCOCCOC2=CC=CC=C2 1 3.246 1 2 -0.967904054633518 2934552 C1CCN(C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 1.449 3 4 0 -6.91858369615844 2934517 COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC3CCCO3)O)C(=O)C4=CC=CO4)OC 1 2.107 1 7 0 -24.8326440120552 2934499 C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCCC3 1 2.678 3 3 -5.07688377730364 2934407 CN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)C3=CC=CC=N3)O 1 1.866 2 3 0 -3.20210162937818 2934405 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 3.909 1 5 -14.5873140203857 2934395 CCN1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2 1 1.323 2 3 0 -6.37565127205362 2934366 CCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CC=CO3)O)C(=O)C4=CC=C(O4)C 1 3.547 1 6 0 -14.1209454072212 2934348 C1=CC(=CC(=C1)O)C2C(=C(C(=O)N2CC3=CC=CO3)O)C(=O)C4=CC=CO4 1 2.304 1 6 0 -15.9492941090044 2934335 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC2=CC=CC=C2F 1 2.26 2 3 -11.605603167075 2934294 CC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC3=CC=C(C=C3)F 1 4.048 1 2 -4.82074632131352 2934282 C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CC=CO3)O)C(=O)C4=CC=CS4 1 3.104 1 4 -17.3472553029785 2934275 COC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3 1 4.643 0 4 -9.30893081605194 2934240 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C)NCC3CCCO3 1 2.773 2 5 0 -15.5550484617696 2934122 CC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC)NC(=O)C 1 4.25 1 5 -15.8848744831679 2934106 CCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3CCCO3)O)C(=O)C4=CC=C(O4)C 1 3.597 1 6 0 -19.8273046776144 2934100 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)Br)CC4=CC=CO4)O 1 3.44 1 5 -13.9526079419722 2934084 CC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)NC(=O)C 1 4.266 1 4 -16.8140210714741 2934073 C1CC(OC1)CN2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC(=CC=C4)Cl 1 2.804 1 5 -18.8241785710404 2934072 C1=CC(=CC(=C1)Cl)C2C(=C(C(=O)N2CC3=CC=CO3)O)C(=O)C4=CC=CO4 1 3.21 1 5 -14.5652156321594 2934026 COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2CC3=CC=CO3)O)C(=O)C4=CC=CS4 1 3.055 1 7 0 -19.9749933174121 2933949 CC1=CC(=C(C=C1)NC(=O)CCC(=O)OC(C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)C)C)C 1 5.94 1 4 -18.7960985785333 2933929 CCC(C1=CC=CC=C1)C(=O)NCCCN2CCN(CC2)CCCNC(=O)C(CC)C3=CC=CC=C3 1 4.022 4 2 -9.88423237708307 2933906 C1CC(OC1)CNC2=C(C=CC(=C2)N3CCNCC3)[N+](=O)[O-] 1 1.475 4 3 0 -8.54312046976511 2933905 C1CCC(C(C1)C(=O)NCC2=CC(=C(C=C2)Cl)Cl)C(=O)O 1 3.597 1 3 -5.95739187768033 2933898 CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)OC)C(=O)OC 1 2.809 1 4 -23.3236629450317 2933892 CC1CCC2=C(N1S(=O)(=O)C3=CC=C(C=C3)OC)C=CC(=C2)F 1 3.621 1 3 -7.95419896004708 2933876 C1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.779 3 5 0 -19.0524425991049 2933867 CC(C1=CC(=CC=C1)OC)NC(=O)C2=C(C=CC=C2Cl)F 1 3.852 1 2 -7.68263136339129 2933861 CC(CNC(=O)C1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC(=C(C=C2)OC)OC 1 2.206 2 6 0 -16.4133465544957 2933858 C1=CC(=CN=C1)C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])NC(=O)C3=CN=CC=C3 1 0.992 5 4 0 -9.38123738670072 2933845 COC(=O)C1=C(C=CS1)NC(=O)C2CCCCC2C(=O)O 1 2.07 1 5 -7.75601915253471 2933843 C1C=CCC(C1C(=O)NCCC2=CC(=CC=C2)Cl)C(=O)O 1 2.809 1 3 -5.78151255055714 2933840 C1CC(OC1)CNC(=O)C(=O)NCCC2=CNC3=CC=CC=C32 1 1.284 3 3 0 -18.2278302440866 2933795 CCCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.51 2 5 0 -8.24573104104342 2933791 COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 2.435 4 4 0 -6.42246740823507 2933784 C1=CC=C(C=C1)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[Cl-] Cl- 1 5.923 2 0 5.19740365966915 2933773 COC1=CC=C(C=C1)CCNC(=O)CCCCC(=O)NCCC2=CC=C(C=C2)OC 1 3.486 2 4 -12.6558732263598 2933767 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=NC=C(C=C2)[N+](=O)[O-] 1 3.367 3 4 0 -7.36520166536534 2933761 CC(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 4.672 1 2 -8.55584417514052 2933748 C1CC2C3C(C1O2)C(=O)N(C3=O)C4=CC(=CC=C4)F 1 1.224 1 3 0 1.65665751194666 2933718 COC(=O)CC1=CC(=O)N=C(N1)N=C(N)NC2=CC=CC=C2 1 0.134 5 3 0 -13.9246559410316 2933717 CC1=CC=C(O1)C(=O)NC2=NC=C(C=C2)[N+](=O)[O-] 1 1.438 3 4 0 -5.58930960624808 2933667 CCOC1=CC=C(C=C1)C(=O)NCC(C)NC(=O)C2=CC=C(C=C2)OCC 1 2.937 2 4 -12.6215655657415 2933661 CCC1=C(C=CC(=C1)Br)N2C(=O)C3CC=CCC3C2=O 1 3.702 1 2 0.14989815075288 2933655 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4 1 1.005 4 5 0 -11.8125011689172 2933651 COC(=O)C1=CC(=CC=C1)NC(=O)C2C3CCC(C3)C2C(=O)O 1 1.792 1 5 0 -7.85686198820851 2933647 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)Cl 1 1.66 4 1 0 1.61341397815825 2933627 C1=CC=C(C=C1)C(=O)CC(C(=O)OCC(=O)C2=CC=CS2)NC3=CC=CC=C3Cl 1 4.859 1 4 -13.1779831866655 2933626 CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CS3 1 4.362 2 2 -14.9686131570411 2933622 C1CC(OC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 1.803 3 4 0 -12.0237575601086 2933620 CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C(C)(C)C)[N+](=O)[O-] 1 4.419 4 3 0 -5.5410828559471 2933619 CC1=C(SC(=C1C(=O)OC)NC(=O)C2CC=CCC2C(=O)O)C 1 2.09 1 5 -13.6976755327637 2933610 COC(=O)C1=C(C=CS1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 3.45 1 3 -9.60298124510409 2933604 C1CCC(C(C1)C(=O)NCC2=CC=C(C=C2)F)C(=O)O 1 2.473 1 3 -6.93036319471133 2933598 CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC=C3OC 1 2.246 1 3 -3.83069658718086 2933592 CC1CN(C(CN1S(=O)(=O)C2=CC=C(C=C2)OC)C)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.253 2 6 0 -10.1534584938744 2933581 C1CC(OC1)C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)C4CCCO4 1 2.296 2 5 0 -10.3159324465611 2933573 COC1=CC(=CC(=C1)C(=O)NCCCCNC(=O)C2=CC(=CC(=C2)OC)OC)OC 1 2.471 2 6 0 -11.6647250604225 2933570 C1C(C1C(=O)NC2=CC=NC=C2)C3=CC=CC=C3 1 1.841 2 1 0 -3.29564301492857 2933566 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=C(C(=C4F)F)F)F)F 1 3.58 2 3 -3.40128616430861 2933560 CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(OC=C3)C 1 3.658 2 3 -13.3079369467574 2933546 C1CCC(C(C1)C(=O)NC2=C(C=C(C=C2)F)F)C(=O)O 1 2.672 1 3 -2.75342554524972 2933535 C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)SC3=NC=NN3 1 3.648 3 1 -9.51112113654508 2933531 CCOC(=O)C1=C(NC2=C(C1C3=CC=CC4=CC=CC=C43)C(=O)C5=CC=CC=C52)C 1 4.082 1 3 -23.0553568371588 2933526 C1CCC(C(C1)C(=O)NCCCN2C=CN=C2)C(=O)O 1 0.489 3 3 0 -7.45674347734702 2933513 COCCCNC(=O)C(C(C(=O)NCCCOC)(F)F)(F)F 1 -0.427 2 4 0 -8.39115548252793 2933509 COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CO4)OC 1 3.903 2 4 -12.2559318626608 2933472 CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2CCCO2 1 2.838 1 6 0 -25.8468849181342 2933467 CC1=C(C=CO1)C(=O)NC(C)CCC2=CC=CC=C2 1 3.025 1 2 -7.04723235862294 2933464 CCN(CC)C1=CC=C(C=C1)NC(=O)OC 1 2.453 2 2 -8.0048358908963 2933462 CC1=C(C(=CC=C1)NC(=O)C2CC2C3=CC=CC=C3)C 1 3.964 1 1 -1.33156277977177 2933459 COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)C4CCCCC4C3=O 1 1.758 3 4 0 -8.65352576343127 2933456 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC=C(C=C4)[N+](=O)[O-] 1 4.014 4 4 0 -6.06132768878049 2933451 C1C(C1C(=O)NC2=C(C=C(C=C2)Cl)F)C3=CC=CC=C3 1 3.862 1 1 3.40777761650929e-002 2933447 CCN(CC)CC1=C(OC(=C1C(=O)O)C)CC(C)C.Cl Cl- 1 -3.4e-002 1 3 0 -1.79478897025854 2933428 CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.095 3 4 0 -2.23760927664095 2933424 CC(C1=CC=C(C=C1)OC)NC(=O)CC23CC4CC(C2)CC(C4)C3 1 3.908 1 2 -8.29394584725346 2933417 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)F 1 2.677 2 3 -4.16841415741075 2933408 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4CCCO4 1 3.513 2 3 -12.4082543899695 2933405 C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)F 1 3.121 2 3 -8.61038055730818 2933399 CC(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)OC2=CC(=CC=C2)Cl 1 2.31 2 4 -13.2689315684197 2933390 COC1=C(C=C(C=C1)C(=O)NC2=C(SC=C2)C(=O)OC)OC 1 2.39 1 5 -13.4490530654559 2933389 C1C2C=CC1C(C2C(=O)NCCCC3=CC=CC=C3)C(=O)O 1 2.276 1 3 -9.70596453499547 2933379 C1COC2=C(O1)C=CC(=C2)NC(=O)C3CC3C4=CC=CC=C4 1 2.778 1 3 -7.28022338741863 2933378 CCOC1=CC=C(C=C1)NC(=O)C2CC(=C(CC2C(=O)O)C)C 1 3.042 1 4 -4.23347441548832 2933372 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CC=CCC3C(=O)O 1 0.909 3 4 0 -15.7167004537911 2933369 CC1=C(C=C(C=C1)Cl)NC(=O)C2CC2C3=CC=CC=C3 1 4.142 1 1 -1.81572562227803 2933368 CCN(CC)C1=CC=C(C=C1)NC(=O)C2CC3CCC2C3 1 3.612 2 1 -4.28516719979726 2933365 CCC1=CC=CC(=C1NC(=O)C2CCCO2)C 1 2.711 1 2 -14.8043801485004 2933364 CC1=C(C=CC(=C1)Cl)OCC(=O)NCCCN2C=CN=C2 1 1.828 3 2 0 -3.3655887029165 2933353 CCC1=CC(=CC=C1)NC(=O)C2CC2C3=CC=CC=C3 1 3.934 1 1 -2.12640171256885 2933352 CC1=CC=C(O1)C(=O)NC2=NC(=CS2)C 1 1.435 2 2 0 -3.49864483231837 2933345 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=CC=CC=C3N=C2 1 2.836 2 3 -0.675704455410554 2933341 CC12C(C3C4=CC=CC=C4C1C5=CC=CC=C35)C(=O)N(C2=O)C6=CC=C(C=C6)C(=O)N7CCOCC7 1 3.318 2 4 -10.6810136928028 2933339 COC1=CC2=C(C=C1)N=C(S2)N3C(=O)CNC3=S 1 2.324 3 2 -4.08774186579678 2933330 CC(=C1C2CCC1C3C2C(=O)N(C3=O)CCC4=CC(=C(C=C4)OC)OC)C 1 3.331 1 4 -9.20999117172351 2933313 COC(=O)C1=CC=CC=C1NC(=O)C2CCCO2 1 1.138 1 4 0 -18.059859622516 2933309 CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 4.497 2 4 -16.8868120999139 2933308 C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5 1 2.735 4 3 0 -10.4353892021013 2933306 CCSC1=NN=C(S1)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.398 3 3 0 -14.0330784279428 2933296 C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)Br 1 3.544 2 3 -5.6169586293818 2933291 COC1=CC=CC(=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3 1 0.633 1 5 0 1.79360585944863 2933274 CC1CN(C(CN1C(=O)OC)C)C(=O)OC 1 0.837 2 4 0 -4.61947453162473 2933270 COC(=O)N1C(CC(=N1)C2=CC=CC=C2)(C(F)(F)F)O 1 2.429 2 3 1.79453581248063 2933269 COC1=CC(=C(C=C1)NC(=O)CCSCCC(=O)NC2=C(C=C(C=C2)OC)OC)OC 1 2.498 2 6 0 -12.3315634744644 2933267 CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3C4CC(C3C(=O)O)C=C4 1 3.642 1 5 -15.9014993057065 2933250 COCCCNC(=O)C1=C(C(=C(C(=C1F)F)F)F)F 1 1.997 1 2 0 -11.0331798883456 2933240 CC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=C(S2)C)C 1 4.07 1 1 -6.89378686570018 2933236 CC1=C(N=C(S1)N2C(=O)C3C4CCC(C3C2=O)C4=C(C)C)C5=CC=CC=C5 1 4.125 2 2 -1.27954907127159 2933233 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC(=CC(=N3)C)C 1 2.579 3 4 0 -6.51798040030333 2933224 CC12C(C3C4=CC=CC=C4C1C5=CC=CC=C35)C(=O)N(C2=O)CC6=CC=CO6 1 3.405 1 3 -5.26572553849477 2933223 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=C(C=CC(=C5)OC)OC 1 4.957 3 4 0 -4.2799496456201 2933219 CC1(CC1(Cl)Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.604 2 2 0.61721285599248 2933211 C1CCCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.532 3 4 0 -11.3600074214078 2933192 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCCCN3CCOCC3 1 2.137 3 3 -13.5207595594648 2933190 CCC1=C(SC(=C1C(=O)N)NC(=O)C2CC2C3=CC=CC=C3)C 1 2.868 2 2 -5.86066656559815 2933177 CC1=C(SC(=N1)NC(=O)CCCC(=O)NC2=NC(=C(S2)C)C)C 1 1.257 4 2 0 -9.72593251199682 2933170 COC1=CC=C(C=C1)CCC(=O)NCCCNC(=O)CCC2=CC=C(C=C2)OC 1 2.906 2 4 -13.345703280566 2933168 CCC(C(=O)NC1CCCCCC1)OC2=CC=CC=C2 1 4.195 1 2 -10.1337052617926 2933163 CC(CC(=O)NC1=NN=C(S1)CC(C)(C)C)C2=CC=CC=C2 1 3.673 3 1 -12.5366779032126 2933162 CC1CCC2=C(N1S(=O)(=O)C3=CC=C(C=C3)F)C=CC(=C2)F 1 3.843 1 2 -7.99586837676982 2933157 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NCC3=CC=CS3 1 4.236 2 2 -17.7976254987961 2933137 CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)F 1 3.253 2 3 -7.92528010527396 2933136 C1=CN=CC=C1C(=O)NCCCN2C=CN=C2 1 -0.309 4 1 0 -6.38276038230659 2933135 COC1=CC(=C(C=C1)NC(=O)C2CCCO2)OC 1 1.25 1 4 0 -15.5211797131575 2933118 CCCOC1=CC=C(C=C1)C(=O)ON=C(CC)C2=CC=C(C=C2)C 1 5.133 1 3 -0.306080006123533 2933109 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=NC=C5 1 2.511 2 2 1.01775614469859 2933107 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4)C 1 2.633 2 4 -13.5305760958768 2933098 C1CCC(CC1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O 1 3.166 2 2 1.18690487169301 2933096 CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 5.196 1 2 -9.3375939504313 2933095 CC(C(=O)NCCCCC1=CC=CC=C1)OC2=CC(=CC=C2)Cl 1 4.839 1 2 -9.88370690950233 2933068 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC(OC(C2)C)C 1 2.47 1 4 -14.1880654879231 2933061 CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)Br 1 3.796 2 3 -8.27181818525383 2933059 C1C2C=CC1C(C2C(=O)NCCCN3C=CN=C3)C(=O)O 1 -0.28 3 3 0 -7.23241907025277 2933056 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCCCN3C=CN=C3 1 0.872 3 3 0 -12.3501866522375 2933040 CC(C1=CC=C(C=C1)OC)NC(=O)CC2=CC=C(C=C2)Br 1 3.765 1 2 -7.5913376922494 2933029 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=C2C(=O)NCCC3=CC(=C(C=C3)OC)OC)OC 1 3.99 2 6 0 -11.2244144670739 2933024 C1C2C=CC1C(C2C(=O)NCCC3=CC=CC=C3)C(=O)O 1 1.82 1 3 0 -8.4899839935607 2933021 CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C)OC 1 1.859 1 4 0 -13.3937686158983 2932988 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCCN2C=CN=C2 1 1.839 3 4 0 -12.264033288946 2932972 CC(C1CC2CCC1C2)NC(=O)C3=CC=C(O3)Br 1 3.243 1 2 -7.15580789493114 2932965 CC1CCCCN1C(=O)C2=CC=C(O2)Br 1 2.501 1 2 -9.25583199066461 2932963 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CN=CC=C2)C(=O)N(C)C 1 1.297 3 4 0 -19.2486049750373 2932955 CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2CC=CCC2C(=O)O)C 1 2.895 1 5 -10.3225707128628 2932919 CC(C1=CC=CC=C1)N2C(=O)C3C4CCC(C4)C3C2=O 1 2.516 1 2 -6.15019871496593 2932916 C1CCC(C(C1)C(=O)NCCC2=CC(=CC=C2)Cl)C(=O)O 1 3.254 1 3 -5.47294919035551 2932914 CCC(C(=O)NCCOC)OC1=CC=CC=C1 1 1.75 1 3 0 -12.5684336590752 2932900 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.083 3 3 -12.8952702906054 2932899 C1CN(CCN1CCNC(=O)C(=O)NCC2=CC=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.89 5 5 0 -13.5204661796801 2932889 CC1=CC(=NN1C(=O)C(C2=CC=CC=C2)OC(=O)C)C 1 2.118 2 3 -11.5278870793125 2932877 CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)N3CCC4=CC=CC=C43)Cl 1 3.913 2 2 -1.69660290532552 2932860 CC1=C(C=CO1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 3.47 1 2 0.830544843450891 2932859 CC1=CC=C(O1)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 2.033 2 5 0 -4.38894195728547 2932841 C1C=CCC(C1C(=O)NCCCCC2=CC=CC=C2)C(=O)O 1 3.057 1 3 -10.4376404803957 2932836 COC1=CC=CC(=C1)NC(=O)C2CCCO2 1 1.266 1 3 0 -11.6466870668681 2932834 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(OC=C3)C)C 1 3.095 2 2 1.96216040623657 2932824 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)F 1 3.698 2 3 -9.90011580981004 2932820 C1CC(OC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 -1.2e-002 2 4 0 -17.2608222862516 2932816 CC1=C(C=C(C=C1)Cl)N2C(=O)CC(C2=O)SC3=NC=CC=N3 1 2.96 3 2 1.93480100193746 2932814 CCC(C)N1C2C(NC(=O)N2)N(C1=O)C 1 0.256 4 2 0 -9.31487666575149 2932808 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)C4=CC=CC5=CC=CC=C54 1 4.25 4 4 0 -2.87707642035085 2932806 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)NCC4CCCO4 1 1.888 2 6 0 -6.77702997604841 2932804 C1COC2=C(O1)C=CC(=C2)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4 1 4.175 1 3 -12.6916849328569 2932803 CC1=CC=C(C=C1)C(C)NC(=O)C2=C(OC(=C2)C)C 1 2.88 1 2 -8.80627107863048 2932801 CC1=CC=C(O1)C(=O)NCCCN2CCOCC2 1 0.467 2 3 0 -8.01408031372333 2932800 C1=CC(=CC(=C1)Cl)NC(=O)NCCCN2C=CN=C2 1 1.414 4 1 0 -2.3648886342729 2932795 CCC(C(=O)NCC1=CN=CC=C1)OC2=CC=CC=C2 1 2.314 2 2 -11.4939017065021 2932793 COC1=CC(=C(C=C1)C(=O)NC2=NC=C(C=C2)[N+](=O)[O-])OC 1 1.864 3 5 0 -7.72697986169201 2932787 C1=CC2C(C(C1O2)C(=O)NCC3=CC=C(C=C3)Cl)C(=O)O 1 1.32 1 4 0 -0.815610763155868 2932783 CC1=C(C=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C 1 1.999 4 4 0 -25.0288818495007 2932777 CC1CN(C(CN1C(=O)C2CCCCC2)C)C(=O)C3CCCCC3 1 3.804 2 2 -4.52627550451204 2932767 C1C(C1C(=O)NC2=CC=CC=C2F)C3=CC=CC=C3 1 3.197 1 1 -3.66369196917911 2932766 CC1=CC=C(C=C1)C2=NC(=NN2)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)OC 1 3.743 4 3 0 3.85672428134645 2932759 CC1=CC=CC(=C1)C(=O)NC(C)C2CC3CCC2C3 1 3.766 1 1 -7.11569450526044 2932758 CC1=CC(=C(C=C1)OC)NC(=O)C2CCCCC2C(=O)O 1 2.731 1 4 -5.4597298635945 2932751 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4 1 3.495 5 3 0 -6.64134931090027 2932747 C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.957 4 3 0 -7.65350192435958 2932737 CC1=CC=CC=C1C(=O)N2CCN(CC2)CCNC(=O)C(=O)NC3=CC=C(C=C3)Br 1 2.558 4 3 0 -13.9619284252759 2932721 COC(=O)C1=CC(=CC(=C1)NC(=O)C2CC=CCC2C(=O)O)C(=O)OC 1 1.527 1 7 0 -9.3007047366845 2932720 C1COC2=C(O1)C=CC(=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4 1 1.278 1 5 0 -7.33231040426486 2932711 C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4 1 3.247 2 3 -11.2027060824281 2932710 CCC(C(=O)NC1=NOC(=C1)C)OC2=CC=CC=C2 1 2.596 2 3 -15.6926903108471 2932700 CCC(C(=O)NC1=NC2=CC=CC=C2N1)OC3=CC=CC=C3 1 3.515 3 2 -4.68505496385104 2932695 C1=CC=C(C=C1)C(=O)CC(C(=O)O)NC2=CC=C(C=C2)F 1 2.965 1 3 -8.32620077615564 2932694 C1C2C=CC1C(C2C(=O)NCC3=CC=CO3)C(=O)O 1 0.681 1 4 0 -9.57140248762487 2932693 C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3CC=CCC3C(=O)O 1 2.445 2 4 -11.9460616005449 2932690 C1CC(OC1)CNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-] 1 2.638 4 5 0 -19.1624394718461 2932688 CC1=C(C=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C4=C(C)C)C 1 4.008 1 2 -2.45781796245665 2932682 CC1=C(CC(C(C1)C(=O)NC(C)CCC2=CC=CC=C2)C(=O)O)C 1 3.871 1 3 -6.82227674096432 2932679 CCOC1=CC=CC=C1C(=O)N2CCCCC2C 1 2.871 1 2 -10.5691986104681 2932661 C1CC2CC1CC2C(=O)NCCNC(=O)C3CC4CCC3C4 1 2.17 2 2 -4.35771455927129 2932659 CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C3CC=CCC3C2=O 1 2.593 1 4 -8.02398361788379 2932644 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=C(C(=C(C(=C3F)F)F)F)F 1 4.843 2 1 3.35496361488133 2932639 COC1=CC=CC=C1N2C(=O)C3=CC=CC4=C3C(=CC(=C4N5CCOCC5)[N+](=O)[O-])C2=O 1 3.075 3 6 0 -7.15986108120189 2932638 CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CSC4=CC=CC=C43 1 4.598 2 1 -6.98288306031816 2932630 C1CN(CCN1CC(=O)NC2=CC=CC=N2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.868 5 3 0 -2.94967956327828 2932615 CC1CCC2=C(N1C(=O)C3=CC=CS3)C=CC(=C2)F 1 3.887 1 1 -9.5645975159264 2932609 CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)C3CC=CCC3C(=O)O 1 3.949 1 5 -7.03601310535641 2932606 CCC(C(=O)NC1=NN=C(S1)C)OC2=CC=CC=C2 1 2.192 3 2 -12.5536453789303 2932603 CC1=CC=C(C=C1)S(=O)(=O)NCC(C)NS(=O)(=O)C2=CC=C(C=C2)C 1 2.65 2 4 -10.1150349949675 2932594 CC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OC 1 2.431 1 3 -15.3843626452466 2932593 CC(C1CC2CCC1C2)NC(=O)C3CC=CCC3C(=O)O 1 2.482 1 3 -6.27339990344107 2932567 CC(C(=O)NC1=NC=C(C=C1)[N+](=O)[O-])OC2=CC(=CC=C2)Cl 1 2.881 3 4 0 -9.13385387804933 2932562 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCO4)C 1 2.626 2 4 -4.44064745131784 2932554 C=CCN(CC=C)C(=O)CCC(=O)N(CC=C)CC=C 1 1.676 2 2 0 -16.3396614875119 2932548 CC1CCC2=C(N1C(=O)CN3C(=O)C4=CC=CC=C4C3=O)C=CC(=C2)F 1 2.818 2 3 -8.52216578829655 2932546 C1CCN(C1)CC(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)NC(=O)CN5CCCC5 1 2.455 5 3 0 4.55173089604758 2932528 C1CC(OC1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 -0.336 4 2 0 -12.4501938483627 2932525 CN1C=C(C=N1)CN(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.074 4 4 0 -8.20731500759645 2932515 COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3CC=CCC3C(=O)O 1 3.298 1 5 -16.6705325658981 2932508 COC(=O)C1=C(C=CS1)NC(=O)C2CC3CCC2C3 1 2.561 1 3 -3.38509608561795 2932505 CCC(C1=CC=CC=C1)C(=O)NCCC2=CCCCC2 1 4.319 1 1 -12.8134758578463 2932493 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CCNC(=O)C(=O)NCC3=CC=C(C=C3)Cl 1 3.395 4 3 0 -7.83998859060911 2932489 COC1=CC=CC=C1NC(CC(=O)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)F 1 4.43 1 5 -12.7846610005182 2932484 CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2CCCO2 1 1.053 2 5 0 -22.3863201174117 2932483 CC(C(=O)NC1=NN=C(S1)C2CCCCC2)OC3=CC=CC=C3 1 3.795 3 2 -9.13171484982465 2932478 C1CC2CC1C(C2C(=O)O)C(=O)NC3=C(C=CC(=C3)F)F 1 2.348 1 3 -2.81093341561352 2932477 CC1=C(C=C(O1)CC(C)C)C(=O)NCCCC(=O)O 1 1.858 1 4 0 -11.6664414806353 2932470 C1CC(OC1)C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])NC(=O)C3CCCO3 1 0.631 3 6 0 -13.2810894832612 2932469 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2CCCO2 1 0.994 1 6 0 -19.3583900526728 2932464 CCCCC(CC)CNC(=O)C1C2CC(C1C(=O)O)C=C2 1 2.932 1 3 -9.28304818158484 2932447 C1CN(CCN1CCNC(=O)C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F 1 1.536 4 3 0 -12.3430593096216 2932443 CC(=O)OC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.84 2 3 -6.76661723359637 2932435 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)C(=O)N 1 3.733 3 3 -8.52820685398432 2932429 CC1=CC(=C(C=C1)NC(=O)C2CC2C3=CC=CC=C3)[N+](=O)[O-] 1 3.372 2 3 -4.2911109596241 2932428 CCOCCCNC(=O)CC1=CC=C(C=C1)Br 1 2.101 1 2 -13.6121845621551 2932416 C1COCCN1C2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)C5=CC=CC6=CC=CC=C65)[N+](=O)[O-] 1 4 3 5 0 -4.39698955223187 2932414 CC1=C(CC(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O)C 1 2.484 1 5 -8.69036118519508 2932408 C1CC(OC1)C(=O)NCC2=CC=C(C=C2)Cl 1 1.954 1 2 0 -13.0166187199187 2932403 COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCO2)C(=O)OC 1 0.994 1 6 0 -16.8811496020518 2932400 CC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 2.99 2 4 -11.5003047278777 2932390 C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3CCCO3 1 1.911 2 3 0 -19.580606653777 2932382 C1CC2CC1CC2C(=O)NCCCN3C=CN=C3 1 0.98 3 1 0 -3.08582041043026 2932381 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(C)C2CC3CCC2C3 1 4.277 1 4 -13.8703827285855 2932372 C1CC(OC1)CNC(=O)C2=CC=CC3=CC=CC=C32 1 2.305 1 2 -9.79515193593281 2932363 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CCNC(=O)C(=O)NCC3=CC=CC=C3 1 2.731 4 3 0 -10.4768021859755 2932359 C1=CN(C=N1)CCCNC(=O)C(C(C(=O)NCCCN2C=CN=C2)(F)F)(F)F 1 -0.681 6 2 0 -3.4316943670646 2932350 C1COCCN1C(=NC(=O)C2=CC=CC=C2)N 1 0.766 3 2 0 -8.85566323422935 2932349 CC(C)NC(=O)C(=O)NCCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 0.841 4 4 0 -27.3448735773319 2932307 CCC(C1=CC=CC=C1)NC(=O)CCCC2=CC=CC=C2 1 4.47 1 1 -13.6954503119687 2932311 CC(CNC(=O)C(C)(C)C)NC(=O)C(C)(C)C 1 2.036 2 2 -13.3596373656145 2932316 CC1=CC(=C(C=C1C)S(=O)(=O)N2CCCC3=CC=CC=C32)OC 1 4.01 1 3 -10.8416167763589 2932343 CCCN(CCC)C(=O)CCSCCC(=O)N(CCC)CCC 1 3.313 2 2 -14.0129769493915 2932338 CC1=CC=C(O1)C(=O)NCC2CCCO2 1 0.937 1 3 0 -10.0921908930975 2932335 CC1CN(C(CN1C(=O)C2CCCC2)C)C(=O)C3CCCC3 1 2.892 2 2 -4.17180699034396 2932327 CC1=NC(=NC2=CC=CC=C12)SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4 1 5.708 2 1 -4.18631614112647 2932320 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)OC 1 1.471 2 5 0 -9.71200001029122 2932287 COC1=CC=CC(=C1)N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl 1 3.957 3 3 8.79684880850887 2932286 CCCCC(CC)C(=O)NCC1=CC=C(C=C1)F 1 4.117 1 1 -7.53514083896371 2932279 CCCCNCC(=O)NC1=CC=C(C=C1)NC(=O)CNCCCC 1 1.668 4 2 0 -6.96403565615023 2932267 CC(=C1C2CCC1C3C2C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)C 1 2.804 1 4 -2.97740657052517 2932262 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCCC4C 1 5.004 2 2 -8.27009740897046 2932254 CC(CC(=O)NC1=NN=C(S1)COC)C2=CC=CC=C2 1 1.828 3 2 0 -12.0832909807502 2932234 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2CCCO2 1 1.663 2 4 0 -15.4521314498694 2932224 C1=CC=C(C=C1)CCCNC(=O)CCCCC(=O)NCCCC2=CC=CC=C2 1 4.431 2 2 -14.1182364698922 2932215 CC1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)CCCNC(=O)C3=CC=C(C=C3)C 1 3.088 4 2 -6.76358869839589 2932204 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 1.717 4 4 0 -17.0672337833833 2932200 CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N5CCCCC5)[N+](=O)[O-])C2=O)C 1 5.293 3 4 0 -1.29669925611762 2932192 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35 1 4.298 2 3 -12.971729200115 2932183 C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)Cl 1 3.58 2 3 -7.50025889218661 2932177 CCOC1=CC=C(C=C1)C(=O)NCCCCNC(=O)C2=CC=C(C=C2)OCC 1 3.202 2 4 -9.9855200511411 2932169 CCCCC(CC)CNC(=O)C1CC=CCC1C(=O)O 1 3.256 1 3 -9.81593594888072 2932160 CC1=C(C(=C(S1)NC(=O)C2C3CCC(C3)C2C(=O)O)C(=O)N)C4=CC=C(C=C4)C(C)(C)C 1 3.79 2 4 -3.23619975180824 2932156 CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4C=CN=C4 1 3.074 4 1 -7.05275903029093 2932153 CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)NC4CCSC4=O)C(=O)CCC3 1 1.961 2 4 0 -22.1715049575174 2932138 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC=C(C=C3)[N+](=O)[O-] 1 1.665 3 5 0 -9.98529590334005 2932135 C1=CC(=CC=C1C(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)F 1 3.537 3 3 -8.17165026601645 2932132 CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)OC 1 3.865 2 4 -23.509884427688 2932130 CC(C1CC2CCC1C2)NC(=O)C3=CC=CC=C3Br 1 4.028 1 1 -5.87787528062159 2932118 CCC(C(=O)N1CCN(CC1)CC)OC2=CC=CC=C2 1 2.393 2 2 -7.82931110373687 2932109 C1COCCN1CCNC(=O)CCSCCC(=O)NCCN2CCOCC2 1 -0.936 4 4 0 -15.4213877067381 2932104 CC1=C(C(=C(O1)C(C)(C)C)CN2CCOCC2)C(=O)O.Cl Cl- 1 -0.873 1 4 0 -3.04529166281459 2932097 C1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)Br 1 3.989 2 3 -8.49323388521457 2932093 CC(C1=CC=CC=C1)NC(=O)CCSCCC(=O)NC(C)C2=CC=CC=C2 1 3.333 2 2 -14.8079514190959 2932082 COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 1 2.455 2 4 -5.29325739202014 2932063 CC1=C(C=CC=C1Cl)NC(CC(=O)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CS3 1 5.345 1 4 -11.0412075224974 2932048 CC(C1CC2CCC1C2)NC(=O)C3=CC=C(C=C3)Cl 1 3.944 1 1 -5.47154668893161 2932047 CC(C)CCNC(=O)CCSCCC(=O)NCCC(C)C 1 2.572 2 2 -17.0770648224289 2932043 CC1=CC(=NN1C(=O)C23CC4CC(C2)CC(C4)C3)C 1 3.247 2 1 -4.82426646869304 2932037 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 1.98 3 3 0 -5.74768461434783 2932034 CC1=CC=C(C=C1)CNC(=O)C2CC2C3=CC=CC=C3 1 3.485 1 1 -6.81917486192212 2932026 CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=CC=N3)C 1 2.782 3 2 0.85727872260306 2932024 CC1=CC(=C(C=C1)OC)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.962 1 4 0 -4.68875152218627 2932012 C1CCC(C(C1)C(=O)NCC2=CC=CC=N2)C(=O)O 1 1.332 2 3 0 -9.84699381362434 2932002 COCC1=NN=C(S1)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3 1 2.86 3 2 -15.1481795424619 2931999 CCC(CC)C(=O)NC1=NC=C(C=C1)[N+](=O)[O-] 1 2.275 3 3 -8.56624475313756 2931997 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4CCCO4 1 3.513 2 3 -10.365792202307 2931992 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCN4CCOCC4 1 2.592 5 5 0 -16.5642829270621 2931989 COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3CCCO3 1 2.649 1 4 -13.4039483393159 2931988 CC(CCC1=CC=CC=C1)NC(=O)C2CC2 1 2.87 1 1 -9.41886698053278 2931982 COC1=CC(=C(C=C1C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)OC)OC 1 2.6 0 8 0 -5.15427427291671 2931972 CC1=NN(C=C1CNC(=O)NC23CC4CC(C2)CC(C4)C3)C 1 2.028 4 1 -7.76417759797406 2931965 C1CC1C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.861 3 3 0 -6.45037038052132 2931962 CCC(C)NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl 1 2.846 2 3 -13.9849144055345 2931940 CC1CN(C(CN1C(=O)CC(C)C)C)C(=O)CC(C)C 1 2.301 2 2 -8.0138004489584 2931939 C1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3 1 1.885 2 3 0 -17.8540544509838 2931929 CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=C(C(=C2)Cl)OC)Cl 1 2.702 1 4 -14.562952243422 2931918 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4CCC(CC4C3=O)C 1 3.29 2 3 -11.5790209427266 2931910 CC1=CCC2C(C1)C(=O)N(C2=O)C3=C(C=C(C=C3)Br)C 1 3.692 1 2 -3.61333269472515 2931904 CCC(C1=CC=CC=C1)C(=O)NC2=NC=C(C=C2)[N+](=O)[O-] 1 2.851 3 3 -10.6654826543414 2931892 C1CCC(C1)CCC(=O)NCCCNC(=O)CCC2CCCC2 1 3.372 2 2 -14.6979266990933 2931891 C1CCC(C1)CCC(=O)NC2=NC=C(C=C2)[N+](=O)[O-] 1 2.605 3 3 -12.0539264814894 2931883 CCCCC(CC)C(=O)NCC(C)NC(=O)C(CC)CCCC 1 4.852 2 2 -9.93699279418506 2931879 CC1CCCCN1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3.Cl Cl- 1 3.811 2 2 -5.04228201161463 2931878 CC(CCC1=CC=CC=C1)NC(=O)CCC2CCCC2 1 4.484 1 1 -14.8895453905842 2931869 CCC1=CC(=CC=C1)NC(=O)CCSCCC(=O)NC2=CC=CC(=C2)CC 1 4.449 2 2 -6.91353998773909 2931849 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)Br 1 3.22 2 3 -4.51495223739062 2931840 COC(=O)C1=CC(=CC(=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3)C(=O)OC 1 1.203 1 7 0 -8.22116303507464 2931836 C1CC(OC1)C(=O)NC2CCC(CC2)NC(=O)C3CCCO3 1 0.392 2 4 0 -15.0254149648359 2931826 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCO2 1 2.467 1 4 -17.3526804579442 2931822 CC1=CC(=C(C=C1)C)NC(CC(=O)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CS3 1 5.167 1 4 -13.4804626706742 2931817 CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3CCCCC3C(=O)O 1 4.091 1 5 -15.954698755177 2931813 CCOC(=O)CN1C2=CC=CC=C2N(C1=N)CCOC3=CC4=CC=CC=C4C=C3.Cl Cl- 1 3.755 3 3 -2.21185800275706 2931812 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NC=CN=C4 1 1.308 3 1 0 -10.0042918366347 2931787 C1=CC=C(C=C1)C(=O)CC(C(=O)O)NC2=CC=C(C=C2)Cl 1 3.424 1 3 -7.21607911103408 2931771 CC1=CC(=C(O1)C)C(=O)NCC23CC4CC(C2)CC(C4)C3 1 2.907 1 2 -7.63678994873458 2931753 CC(=O)OC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.618 2 4 -7.51333884360712 2931752 C1CCC(=CC1)CCNC(=O)C2C3C=CC(C2C(=O)O)O3 1 1.4 1 4 0 -6.45774895019332 2931735 C1CN(CCN1CCNC(=O)C(=O)NC2=CC=C(C=C2)Cl)C(=O)C3=C(C=CC=C3F)F 1 2.399 4 3 0 -12.7381503709139 2931733 COC1=CC=CC(=C1)N2C(=O)CC(C2=O)N3CCC4=CC=CC=C43 1 2.746 2 3 -1.70042555498208 2931730 COC1=C(C=C(C=C1)C(=O)NC2=NC=C(C=C2)[N+](=O)[O-])OC 1 1.864 3 5 0 -12.6590275943816 2931724 CC(C)(CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.71 2 8 0 -10.9715552655617 2931707 CC1CCCN(C1)C(=O)C2=CC=NC=C2 1 1.329 2 1 0 -6.56719573782087 2931706 CC1=CC(=NO1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.795 4 4 0 -8.81101365046623 2931700 C=CCN(CC=C)C(=O)CCCC(=O)N(CC=C)CC=C 1 2.132 2 2 -18.1876916225206 2931693 COC1=C(C(=CC=C1)OC)C(=O)NCCN2CCN(CC2)C(=O)C3=C(C=CC=C3OC)OC 1 1.992 3 6 0 -11.0838870964192 2931685 C1=CC=C(C=C1)C(=O)CC(C(=O)O)NC2=C(C(=CC=C2)Cl)Cl 1 4.088 1 3 -7.55942233950942 2931680 CC1=C(C=C(C=C1)NC(=O)C2CCCO2)[N+](=O)[O-] 1 1.663 2 4 0 -14.3496774811907 2931677 CC1=CC=C(C=C1)CNC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.985 1 3 0 -7.41791581308233 2931675 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3C4C=CC(C3C(=O)O)O4 1 0.424 1 6 0 -4.3328633909678 2931670 CC(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC(C)CCC3=CC=CC=C3 1 5.722 2 2 -9.64873626548183 2931666 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC=C4Cl 1 4.156 2 3 -10.6184129955965 2931658 COCCCNC(=O)CCCCC(=O)NCCCOC 1 -0.428 2 4 0 -16.6041521206129 2931653 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NNC(=N3)C4=CC=CC=C4 1 3.606 4 3 0 2.61598471332323 2931637 COC1=C(C=C(C=C1)CCNC(=O)CCCCC(=O)NCCC2=CC(=C(C=C2)OC)OC)OC 1 3.453 2 6 0 -16.6539879547288 2931621 C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)Br 1 3.989 2 3 -7.13689418694239 2931607 CC1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)Cl)C)C 1 3.785 1 2 -4.3652152720037 2931603 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCO3 1 1.434 2 4 0 -16.1526016566516 2931597 CC1=CC=C(C=C1)C(=O)C(C)OC2=CC=C(C=C2)C(=O)OC 1 3.895 0 4 -5.43296439519451 2931585 C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N(C(=O)N3)C4=CC=C(C=C4)F 1 3.161 3 2 -2.46468469188356 2931582 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=C(C=CC=C4C)C 1 4.464 2 3 -12.1803376548377 2931573 CCC(C1=CC=CC=C1)C(=O)NC2=NC(=C(S2)C)C 1 2.993 2 1 -7.01693134994812 2931572 C1CC(OC1)CNC(=O)CCSCCC(=O)NCC2CCCO2 1 0.128 2 4 0 -17.6038184361714 2931563 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 1 1.173 4 4 0 -7.2848820744565 2931561 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4C=CN=C4 1 2.958 4 2 -4.5846644338187 2931560 CC(C)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=CC=N3 1 3.004 3 2 1.02595896352413 2931553 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=CC6=CC=CC=C65 1 3.233 3 4 0 6.2249746980822 2931550 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CS3 1 2.888 2 3 -24.4496363824789 2931540 CC1CC(CN(C1)C(=O)C2=CC=NC=C2)C 1 1.649 2 1 0 -8.76954189422744 2931533 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)NC4=NC=C(C=C4)[N+](=O)[O-] 1 4.779 4 3 0 -5.89899031822016 2931528 C1CN(CCN1CCNC(=O)C(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.239 4 4 0 -23.6194869332923 2931524 CCCCC(CC)C(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2 1 5.454 2 1 -6.23923652840388 2931512 CC(=C1C2CCC1C3C2C(=O)N(C3=O)C4=NC=CS4)C 1 2.033 2 2 -3.13701227247305 2931509 CC(C)C1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)CCCNC(=O)C3=CC=C(C=C3)C(C)C 1 4.504 4 2 -6.48012900174425 2931507 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)N4CCN(CC4)C5=CC=CC=C5 1 3.916 4 2 -2.93350224078863 2931490 CC(C1=CC=CC=C1)NC(=O)C2CCCO2 1 1.667 1 2 0 -15.0304951388179 2931483 COC(=O)C1=C(C=CS1)NC(=O)C2C3C=CC(C2C(=O)O)O3 1 0.458 1 6 0 -2.20473445178684 2931482 CC1=C(C=CC=C1Cl)NC(CC(=O)C2=CC=CC=C2)C(=O)O 1 3.91 1 3 -6.38023979494248 2931477 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCO2 1 1.161 2 5 0 -15.4785362068305 2931469 C1=CC=C(C=C1)CCCNC(=O)CCC(=O)NCCCC2=CC=CC=C2 1 3.519 2 2 -12.9142431569812 2931464 CCN(C1CCCCC1)S(=O)(=O)C2=C(C=CC(=C2)C)OC 1 3.623 1 3 -6.37128177402102 2931442 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4 1 3.81 1 4 -11.9102255699544 2931438 CC1(OC(=CC(=O)O1)C2=CC=C(C=C2)OC)C3=CC=CC=C3 1 3.365 0 4 -1.28922197316802 2931419 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=CC=CC5=CC=CC=C54 1 3.526 4 4 0 -3.32939580443412 2931417 COC1=CC(=C(C=C1)OC)NC(=O)C2CC2C3=CC=CC=C3 1 2.959 1 3 -4.90173825066716 2931410 CCC(C)NC(=O)CCSCCC(=O)NC(C)CC 1 1.911 2 2 0 -17.9793216132516 2931404 COC1=CC=CC=C1NC(CC(=O)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br 1 4.973 1 5 -13.1311990804981 2931403 CC1=NC(=NC2=C1C=C(C=C2)OC)SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4 1 5.691 2 2 -3.50629059314517 2931390 CC1=CC=C(C=C1)N2CCN(CC2)CC(COC3CCCCC3)O 1 3.652 2 2 1.44820806683524 2931388 CCOC1=CC=CC=C1C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O 1 2.981 0 6 -3.44605632252827 2931382 COC(=O)C1=C(C=CS1)NC(=O)C2CC=CCC2C(=O)O 1 1.625 1 5 0 -8.06458251273634 2931376 CC(C)C1=NN=C(S1)NC(=O)CC(C)C2=CC=CC=C2 1 3.221 3 1 -11.0441458857573 2931366 CCC(C(=O)NC1=C(SC=C1)C(=O)OC)OC2=CC=CC=C2 1 3.266 1 4 -12.0833797325302 2931364 CC1=C(SC(=C1C(=O)N)NC(=O)C2CCCCC2C(=O)O)C 1 1.681 2 4 0 -8.40673474390516 2931358 CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O)C 1 3.888 2 3 -12.1341267891967 2931351 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CS2 1 3.464 2 3 -17.4072097897429 2931346 C1CN(CCN1CCNC(=O)C(=O)NC2=CC=C(C=C2)Br)C(=O)C3=CC=CS3 1 2.026 4 3 0 -17.5954352970368 2931341 CC1CN(CC(N1)C)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCOCC3 1 1.164 4 4 0 -7.71747240766014 2931336 CC(C1CC2CCC1C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.174 2 3 -10.4067860118441 2931332 CC1=C(C=CC(=C1)N2C(=O)C3C4CC(C3C2=O)C=C4)NC(=O)C5=CC=CS5 1 2.911 2 3 -6.98638889959644 2931330 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCNC(=O)C(=O)NC3=CC=C(C=C3)Br 1 2.056 4 4 0 -12.6561570356124 2931329 C1CC(CN(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.788 4 4 0 -7.3328895902109 2931320 C1CCC(C(C1)C(=O)NCCCN2CCOCC2)C(=O)O 1 -2.462 2 4 0 -11.1597606664611 2931319 C1CC(OC1)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 1.383 2 4 0 -13.6897154960576 2931318 COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=NC(=N3)NCCO)N4CCOCC4 1 0.69 7 3 0 1.93616961387801 2931317 C1=CC(=C(C=C1C(=O)NCCCN2C=CN=C2)Cl)Cl 1 2.171 3 1 -4.41193153128396 2931314 C1C=CCC(C1C(=O)NCC2=CC(=C(C=C2)Cl)Cl)C(=O)O 1 3.152 1 3 -6.26595523788196 2931308 CC1=CC(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C(=O)OC 1 1.604 1 5 0 -6.36090441552603 2931300 CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3CC=CCC3C(=O)O 1 4.024 1 5 -18.0672671700574 2931295 CC1=CC(=NO1)NC(=O)C2CC=CCC2C(=O)O 1 0.955 2 4 0 -13.1565576298335 2931294 CC1=C(CC(C(C1)C(=O)NCC2=CC=C(C=C2)OC)C(=O)O)C 1 2.7 1 4 -7.4080734571141 2931290 C1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)F)NC3=CC=CC=C3.Cl Cl- 1 4.96 1 1 -4.31189026646457 2931287 CCOC1=CC=CC=C1C(=O)NCCCCNC(=O)C2=CC=CC=C2OCC 1 3.202 2 4 -11.4775333084447 2931250 C=CCN(CC=C)C(=O)CCCCC(=O)N(CC=C)CC=C 1 2.588 2 2 -17.4537528481503 2931238 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC3=CC=CC=C3N=C2 1 2.471 2 4 -1.30786291989911 2931237 CCN1C2=CC=CC=C2N(C1=N)CC3=CC=CC=C3F.Br Br- 1 3.297 3 0 0.510561213637058 2931220 C1CCC(CC1)NC(=O)NCC2=CC=CC=N2 1 1.876 3 1 0 -10.9315144969295 2931208 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4 1 3.499 2 3 -12.9561260870035 2931207 CC(C1=CC=CC=C1)NC(=O)C(=O)NCCC2=CNC3=CC=CC=C32 1 2.886 3 2 -15.5685261341773 2931205 CCOC(=O)CN1C2=CC=CC=C2N(C1=N)CC3=CC=CC=C3F.Cl Cl- 1 3.004 3 2 -4.83142278591976 2931199 C1CCC(CC1)C(=O)NC2=NC=C(C=C2)[N+](=O)[O-] 1 2.359 3 3 -3.26967871478191 2931188 C1COCCN1C(=O)C2=CC=C(C=C2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57 1 2.901 2 4 -11.7320750758175 2931175 CC(C1CC2CCC1C2)NC(=O)C3=CC(=CC=C3)F 1 3.485 1 1 -6.46901226622908 2931173 CCCCN1C2=CC=CC=C2N=C1NC(=S)NC3=CC=CC=C3 1 5.486 4 0 -9.28062910081523 2931168 CCOC1=CC=CC=C1C(=O)NCCCN2C=CN=C2 1 1.174 3 2 0 -8.35839855803466 2931149 C1=CC=C(C=C1)C(=O)CC(C(=O)OCC(=O)C2=CC=CS2)NC3=C(C(=CC=C3)Cl)Cl 1 5.523 1 4 -12.2203900670643 2931143 COCCNS(=O)(=O)C1=C(C=CC(=C1)OC)OC 1 0.577 1 5 0 -9.71237308799983 2931141 C1CCN(C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.323 3 5 0 -19.0226229960145 2931132 CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.973 2 3 -7.3718608487805 2931127 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.491 4 5 0 -15.4827299860528 2931120 CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=CC=C3 1 4.317 3 4 0 -22.9108901390423 2931108 COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3CCCCC3C(=O)O 1 3.742 1 5 -16.4160693935613 2931103 CC1=CC(=CC=C1)NC(=NC2=NC(=O)C=C(N2)CC(=O)OC)N 1 1.266 5 3 0 -11.8803562493291 2931091 CN1CCN(CC1)C(=S)SCC(=O)NC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.994 4 2 -1.7127947171908 2931090 CC(C)CC(=O)NCC(C)NC(=O)CC(C)C 1 1.693 2 2 0 -15.2004434439059 2931071 CCN1C=C(C=N1)CN(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.423 4 4 0 -11.1545898719016 2931068 CC1=C(C(=C(O1)CC(C)C)CN2CCCC2)C(=O)O.Cl Cl- 1 -0.271 1 3 0 0.570712119756247 2931053 C1CN(C2=CC=CC=C21)C3CC(=O)N(C3=O)C4=CC=C(C=C4)F 1 2.968 2 2 -1.16464319480531 2931043 CC1=CC(=CC(=C1)N2C(=O)C3CC=CCC3C2=O)C 1 2.983 1 2 -1.00609747523342 2931040 CC1=NN(C=C1CN(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C 1 1.357 4 4 0 -6.6749037096273 2931018 CC(C)C(=O)NCC(C)NC(=O)C(C)C 1 1.202 2 2 0 -10.9799848593893 2931015 COC1=C(C(=CC=C1)OC)C(=O)NC2=NC=C(C=C2)[N+](=O)[O-] 1 1.864 3 5 0 -9.93189057010956 2931012 CC1CCC2=C(N1S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C=CC(=C2)F 1 2.757 2 3 -12.6204224852871 2931009 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCO2 1 2.011 1 4 -15.9888256474682 2931007 CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 1 4.342 4 1 -14.4351012414298 2930996 C1CN(CCN1C2=CC=CC=C2F)C(=O)C34CC5CC(C3)CC(C5)C4 1 3.97 2 1 2.83332386291071 2930995 C1=CC=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F 1 3.332 3 3 -9.40040119292821 2930992 COC(=O)CC1=CN=C(S1)NC(=O)C2C3CCC(C3)C2C(=O)O 1 1.116 2 5 0 -9.70082273003188 2930983 COCCCNC(=O)CCCC(=O)NCCCOC 1 -0.884 2 4 0 -17.3380908949831 2930975 CC1=CC=CC(=C1)C2=NC(=NN2)SC3CC(=O)N(C3=O)C4=CC=CC=C4OC 1 3.743 4 3 0 4.15100994334625 2930974 COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCCC(=O)O 1 2.733 1 5 -25.018593266047 2930961 CC(C)C1C2=C(CC(N1)C(=O)OC)C3=CC=CC=C3N2 1 2.983 2 2 -5.63443329287535 2930958 COC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)(C(F)(F)F)O 1 3.177 2 3 2.63439117428121 2930956 COC(=O)C1=CC=CC=C1NC(=O)C2CC=CCC2C(=O)O 1 1.672 1 5 0 -10.4794147571488 2930952 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C 1 3.978 2 3 -8.0806943267989 2930948 CCN(CC)C1=CC=C(C=C1)NC(=O)CCCCC(=O)NC2=CC=C(C=C2)N(CC)CC 1 4.582 4 2 -12.6065564527025 2930947 CCCCC(CC)C(=O)NCCCN1CCN(CC1)CCCNC(=O)C(CC)CCCC 1 4.695 4 2 -8.68338813495891 2930944 COC1=CC=C(C=C1)CCC(=O)NCCNC(=O)CCC2=CC=C(C=C2)OC 1 2.843 2 4 -12.1934634527595 2930941 CCC(C(=O)N1CC(CC(C1)C)C)OC2=CC=CC=C2 1 3.642 1 2 -9.90913590284423 2930927 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC=C(C=C2)[N+](=O)[O-] 1 3.297 3 3 -5.10992309566386 2930926 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 4.909 2 4 -19.2255565944768 2930917 CC1=CC=C(C=C1)C(=O)NC(C)C2CC3CCC2C3 1 3.766 1 1 -7.29354537951843 2930915 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)F)C4=CC=CC=C4F 1 3.056 3 2 7.7749688054677 2930909 CC1=CC(=NC(=N1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)C 1 1.29 4 3 0 -14.8326136364181 2930907 C1CC(OC1)C(=O)NC2=C(C=C(C=C2)Br)F 1 2.237 1 2 -9.31032781334502 2930834 CCN1C=C(C(=N1)C)CNC(=O)NC23CC4CC(C2)CC(C4)C3 1 2.377 4 1 -11.6505612050385 2930832 CC(C1=CC=CC=C1)NC(=O)NC2CCCCC2 1 3.189 2 1 -10.9093889301426 2930827 C1C2C=CC1C(C2C(=O)NCCC3=CC(=CC=C3)Cl)C(=O)O 1 2.485 1 3 -5.24862478326127 2930822 CCOC(=O)C1=C(N=C(S1)NC(=O)C2C3CC(C2C(=O)O)C=C3)C 1 1.268 2 5 0 -10.6818008012215 2930820 CC(=O)OC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.84 2 3 -6.45953855763278 2930814 CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)Br)OC 1 2.121 1 4 -13.4911889377556 2930812 CC(=O)OC(C1=CC=CC=C1)C(=O)NC2=NC=CS2 1 1.373 2 3 0 -11.7377815179542 2930802 CC1=C(C=CC(=C1)S(=O)(=O)N2C(=NC3=CC=CC=C32)C)OC 1 3.433 2 3 -0.411253202604434 2930800 CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCCCC2C(=O)O)C(=O)OC 1 2.536 1 7 0 -15.665293196307 2930798 C1COC2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.203 3 5 0 -8.74491854011118 2930785 CCC(C(=O)NCCCN1CCOCC1)OC2=CC=CC=C2 1 1.77 2 3 0 -12.0166448572147 2930773 C1CCC(CC1)OCC(C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)O.[Cl-] Cl- 1 0.857 2 3 0 -5.08789743213488 2930772 CC(C(=O)NCCCCC1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)Cl 1 5.503 1 2 -9.45038429120984 2930769 CCOC1=CC=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3 1 3.614 3 2 -26.4033656425993 2930751 CCOC1=CC=C(C=C1)C(C)NC(=O)CCC(=O)O 1 1.512 1 4 0 -15.7323285311039 2930750 C1=CC=C(C=C1)C(=O)CC(C(=O)OCC(=O)C2=CC=CS2)NC3=CC=C(C=C3)F 1 4.4 1 4 -12.9871685037105 2930740 C1=CC=C(C=C1)C(=O)CC(C(=O)O)NC2=CC=CC=C2Cl 1 3.424 1 3 -8.51701545911059 2930734 CC1=C(SC(=N1)NC(=O)C(C)C2=CC=CC=C2)C(=O)OC 1 2.538 2 3 -10.4082039609356 2930724 C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)Br 1 3.664 2 3 -8.95691863728805 2930719 CCCCN1C2C(NC(=O)N2)N(C1=O)C 1 0.335 4 2 0 -10.6272422696633 2930707 CCC(C1=CC=CC=C1)C(=O)NC2=C(SC=C2)C(=O)OC 1 3.376 1 3 -12.3823236744267 2930697 CC1=CC(=CC(=C1Br)C)N2C(=O)C3CC=CCC3C2=O 1 3.732 1 2 -0.748143677706838 2930694 CCSC1=NN=C(S1)NC(=O)C2CC=CCC2C(=O)O 1 1.723 3 3 0 -15.1126201295527 2930688 C1CC(OC1)CNC(=O)CCCC(=O)NCC2CCCO2 1 -2.9e-002 2 4 0 -18.2267562530896 2930686 CC1=CC=C(O1)C(=O)NC2=NOC(=C2)C 1 1.294 2 3 0 -10.8697800315916 2930683 CC1=C(C=C(C=C1)C(=O)COC(=O)C(CC(=O)C2=CC=CC=C2)NC3=CC=CC=C3OC)C 1 5.197 1 5 -13.4354211092399 2930681 CC1=CC=C(C=C1)C(=O)COC(=O)C(CC(=O)C2=CC=CC=C2)NC3=CC=CC=C3OC 1 4.71 1 5 -13.4965380259835 2930680 CC(C1=CC=CC=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.877 1 3 0 -7.15356708434962 2930673 C1=CC(=CC(=C1)Cl)CCNC(=O)C2C3C=CC(C2C(=O)O)O3 1 1.642 1 4 0 -0.468318423921625 2930666 COC1=CC=CC(=C1)C(=O)NCCCN2CCN(CC2)CCCNC(=O)C3=CC(=CC=C3)OC 1 2.082 4 4 0 -7.72438685780099 2930657 CN1CCN(CC1)C(=NC(=O)C2=CC=CC=C2)N 1 1.035 4 1 0 -4.53033040958501 2930652 COC1=CC(=C(C=C1)OC)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O 1 2.616 0 7 0 -2.46813467713243 2930644 CCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)CS3)C4=CC=CC=C4)C(=O)OCC)OCC 1 4.455 2 5 0 -26.6266446726768 2930631 COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O 1 2.9 2 4 -9.73522379191757 2930630 CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35 1 4.754 2 3 -12.496992351783 2930611 CC1CCCCN1C(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.097 2 3 -7.32985171875291 2930594 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=CC=C4OC)OC 1 3.857 1 3 -7.022506820335 2930581 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CO4 1 3.92 2 3 -8.07864683063702 2930578 CN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.589 3 3 0 -12.3249095584272 2930576 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=NC(=O)C4=CC=CC=C4)N 1 4.231 4 1 -11.3195544102877 2930566 CCOC(=O)C1=NNC(C1C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C 1 3.807 2 3 -6.65680385505145 2930564 C1CCN(CC1)C(=S)SCC(C2=CC=C(C=C2)[N+](=O)[O-])O 1 4.089 2 3 -7.73637986491706 2930539 C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C(CC6=CNC7=CC=CC=C76)C(=O)O 1 4.038 2 4 -12.1742749196124 2930513 CC1=CC=C(C=C1)S(=O)(=O)NCCC(C2=CC=CC=C2)C3=CC=CO3 1 4.056 1 3 -10.7442581704399 2930505 CN(C)CCOC(=O)COC1=CC=C(C=C1)OC.Cl Cl- 1 1.643 1 4 0 -5.04338179657396 2930494 CC(=O)NC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCSCC3 1 0.568 3 3 0 -1.07982254088304 2930480 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)OC)S(=O)(=O)NCC4CCCO4 1 3.346 3 4 0 -13.6520291372571 2930466 CCC1=CC2=C(N=CN=C2S1)NC(CC3=CC=CC=C3)C(=O)O 1 3.793 3 2 -6.23666977290248 2930465 C1=CC=C2C(=C1)C(=CN2CC(=O)NC3=CC=CC=C3F)C(=O)C(F)(F)F 1 3.999 2 2 -12.9575802362371 2930458 CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OS(=O)(=O)C4=CC=CC=C4 1 1.276 4 6 0 -18.8740855212884 2930452 C1CN(CCC1CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)Br)O.Cl Cl- 1 4.847 1 2 1.80665336540082 2930438 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCCCC2 1 2.273 2 3 -9.82499087516962 2930429 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O 1 3.663 1 4 -10.8958074473872 2930426 CC(C)CC(=O)NC(C1=CC=CC=C1OC)C2=C(C=CC3=CC=CC=C32)O 1 4.594 1 3 -8.76970447790193 2930420 CC1=C(C=C(C=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)[N+](=O)[O-] 1 0.189 5 4 0 -9.87664134466231 2930409 CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCCC2C(=O)NC(C)C(=O)OC 1 2.431 2 5 0 -13.5659570709322 2930407 CN1CCN(CC1)C2=NC(=CC(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OC 1 4.154 4 1 9.46840555440038 2930404 CSC1=NC(=C(C(=O)N1)C(C2=CC(=CC=C2)[N+](=O)[O-])C3=C(N=C(NC3=O)SC)O)O 1 3.03 5 6 0 -13.9249851426569 2930398 COC1=CC(=C(C=C1)OC)N(CC(=O)NCCSC2CCCCC2)S(=O)(=O)C3=CC=CC=C3 1 4.022 2 5 0 -19.9916251537866 2930393 C1CCC(CC1)SCCNC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 4.261 2 3 -18.1816390560368 2930389 CSC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)F)C3=C(N=C(NC3=O)SC)O)O 1 3.342 4 4 0 -9.61102645370592 2930388 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC(=S)NC3CCSC3=O 1 3.609 3 3 -20.5466716197994 2930365 CC(CN1CCCCC1)OC(=O)CC2=CC=C(C=C2)OC 1 3.137 1 3 -4.89495114293175 2930355 CCC(C)N1C(=O)/C(=C\C2=CN=C(N=C2)N(C)C)/C(=O)NC1=S 1 1.503 5 2 0 -3.73036351991029 2930345 CCOC(=O)CN1C=C(C2=CC=CC=C21)C=NN3C(=O)C4C5CC(C4C3=O)C=C5 1 2.311 3 4 0 -5.11836806757097 2930343 CC1(CC(CCO1)(CCNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C 1 3.37 1 3 -16.9002921248803 2930337 C1C=C(CC2C1C(=O)N(C2=O)CC3CC4=CC=CC=C4CO3)Cl 1 2.224 1 3 -2.50217934534731 2930335 C1=CC=C2C(=C1)C(=CN2CC(=O)NCC3=CC=CO3)C(=O)C(F)(F)F 1 2.982 2 3 -19.89534976121 2930332 C1C=CCC(C1C(=O)NC2=C(C=CC(=C2)Cl)Cl)C(=O)O 1 3.145 1 3 -1.46737601906834 2930321 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CC(=O)O)C(=O)O 1 1.169 2 6 0 -21.2231742485704 2930320 CC(=O)C1=CC(=CC=C1)NC(=O)C2C(C2(Cl)Cl)C3=CC=CC=C3 1 3.166 1 2 -2.07258073116693 2930312 COC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)F)F 1 2.816 1 2 -18.5988278508941 2930302 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(F)(F)F 1 2.229 2 4 -13.3360070265024 2930286 C1=CC=C(C=C1)C2=C(N(C3=C2C(=NC=N3)NCCCN4C=CN=C4)CC5=CC=CO5)C6=CC=CC=C6 1 4.522 6 1 0 1.1349690353324 2930282 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(=O)C5=CC=C(C=C5)Cl 1 3.787 3 3 -2.40334594185444 2930263 CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2CCCCCC2)S(=O)(=O)C 1 3.137 2 4 -11.2748150927907 2930251 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N)N3C(=O)C4C5CC(C4C3=O)C=C5 1 1.768 3 3 0 -2.44135023790877 2930240 CCSC1=NC(=C(C(=O)N1)C(C2=CC(=CC=C2)OC)C3=C(N=C(NC3=O)SCC)O)O 1 3.817 4 5 0 -13.3669387488641 2930234 CCCC(=O)NC(C1=CC=CO1)C2=CC(=C3C=CC=NC3=C2O)Cl 1 3.589 2 3 -11.1163790378792 2930202 CCC(C(=O)NC1CCCCC1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 3.144 3 4 0 -18.35842197074 2930201 CC1(CC2CC(C1)(CN2C(=O)C3=CC=CC=C3OC)C)C 1 3.269 1 2 -15.2829928370463 2930188 CC1=CC=C(C=C1)NC(=O)NC2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.264 3 3 -8.68057080239746 2930160 CC(CN1CCCCC1)OC(=O)CCC2=CC=CC=C2.Cl Cl- 1 3.609 1 2 -5.88082503175187 2930157 CN1CCCC(C1)OC(=O)COC2=CC=C(C=C2)Br.Cl Cl- 1 2.897 1 3 -2.75280682059955 2930156 CC1(CC2(CCO1)C(CC(=O)O2)C(=O)NC3=CC=C(C=C3)Br)C 1 1.779 1 4 0 -8.75710255340397 2930149 COC1=CC=CC(=C1OC)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)CS5 1 4.154 2 3 -16.6965302476141 2930135 CCC(C(=O)NC1=NOC(=C1)C)SC2=NC=CC=N2 1 1.897 4 2 0 -18.7063655775043 2930125 CC1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC 1 1.9 3 5 0 -23.1224991841752 2930113 CCC1=CC2=C(N=CN=C2S1)NC(C(C)C)C(=O)O 1 3.081 3 2 -10.1257217784331 2930108 C=CCOCCN1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)CCOCC=C 1 -0.188 2 6 0 -10.2723637792127 2930103 CC1CN(CC(O1)C)C(=S)NC2=CC=CC=C2F 1 3.696 2 1 -12.8614909352887 2930099 CC1CN(CCN1C(=O)N2CCOCC2)C(=O)N3CCOCC3 1 -1.047 4 4 0 -8.09439347715558 2930095 C[N+]1=CN(C2=CC=CC=C21)CC(COCC3=CC=CC=C3)O.[I-] I- 1 3.698 2 2 4.3822194520487 2930086 CC1=CC=CC=C1C(=O)OCCN(C)CC2=CC=CC=C2.Cl Cl- 1 3.893 1 2 -2.3531065039926 2930083 CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1N=CN(C)C 1 2.188 4 1 -4.99864769477582 2930070 CC1(C2(CCC1(CC2=O)C(=O)NC3=CC=CC=C3N4CCOCC4)C)C 1 2.43 2 3 -11.3457896744826 2930063 CC12CC3(CC(C1)(CC(C2)(C3)NC(=O)NC4=CC=C(C=C4)OC)C)C 1 3.691 2 2 -7.31154954753826 2930054 C1CS(=O)(=O)CC1NC(=S)NC(=O)C2=CC=CC=C2F 1 1.624 2 3 0 -17.1220355264754 2930050 CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)C2=CC=CC=C2 1 2.478 2 3 -18.208657911303 2930045 CCCCOC1=CC=C(C=C1)C(=O)NCC2(CCOCC2)C3=CC=C(C=C3)OC 1 4.059 1 4 -19.7429519498341 2930030 CCC(C(=O)N1CC2(CC1CC(C2)(C)C)C)N3C(=O)C4=CC=CC=C4C3=O 1 3.177 2 3 -18.9637499491898 2930017 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(O4)Br 1 3.144 1 2 -7.22301090280641 2930014 CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)C 1 1.535 3 2 0 -9.71259732440644 2930003 CC(C)(C)C1=CC=C(C=C1)C(=O)OC2CCCN(C2)C.Cl Cl- 1 3.714 1 2 -1.55521503535535 2929993 CN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=NC=C3)O 1 0.689 2 3 0 -4.9921277812617 2929992 CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC(=CC=C3)Cl)C4=C(NNC4=O)C 1 1.468 4 3 0 2.27367545918476 2929944 C1COCCN1S(=O)(=O)N2C=NC3=CC=CC=C32 1 0.404 3 3 0 -8.38158366532709 2929978 CC(=O)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCC4=CC=CC=C4 1 3.415 1 3 -1.94423092545832 2929973 COC1=CC(=CC(=C1OC)OC)C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O 1 3.087 4 7 0 -13.7296893644911 2929967 CC(=O)NC1=NN=C(S1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 1.022 5 5 0 -20.6304861589482 2929963 CCC(C)NC(=S)NC1=CC=C(C=C1)F 1 3.967 2 0 -10.3264484863696 2929957 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)C3=NOC(=C3)C 1 2.565 2 3 -6.79924000059386 2929925 COC1=CC=CC(=C1OC)C=NN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46 1 3.835 2 4 -6.80971080810675 2929920 CC(=O)OC1=C(C=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4)[N+](=O)[O-] 1 1.805 2 6 0 -2.93119081844903 2929919 C1CCN(CC1)CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O 1 3.791 1 2 -7.59459442689675 2929913 CCOC(=O)C1=C(N=C(S1)NC(=O)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C 1 2.182 3 5 0 -11.6875794144836 2929910 CCN1C2C(NC1=O)N(CCN2S(=O)(=O)C)S(=O)(=O)C 1 -1.662 4 5 0 -12.3518069778869 2929903 CC1=CC(=C(C=C1)C)NC(=O)C2=C(NC(=S)NC2C3=CC=CS3)C 1 4.101 3 1 -28.4315878825948 2929896 CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N(C2=CC=CC=C2)S(=O)(=O)C 1 1.961 3 5 0 -10.7439107938095 2929891 CC1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC 1 1.833 3 5 0 -21.2374851483037 2929886 CC(C(=O)O)NC(=O)C1=CC=C(C=C1)C(C)(C)C 1 2.404 1 3 -9.164306611563 2929885 CCOC(=O)C1CCN(CC1)C(=O)CN(C2=C(C=CC(=C2)Cl)OC)S(=O)(=O)C3=CC=CC=C3 1 3.113 2 6 0 -16.6873103717287 2929884 CCCC(=O)NC(C1=CC=CS1)C2=CC(=C3C=CC=NC3=C2O)Cl 1 4.148 2 2 -8.4011194582646 2929856 CC1=CC=C(C=C1)C2N3CCCN3C(=S)N2C4=CC=CC=C4 1 4.683 3 0 -2.83573144905427 2929848 COC1=CC(=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N)[N+](=O)[O-] 1 0.997 4 5 0 -12.5130918217253 2929846 CC1=C(C(=O)NN1)C(C2=CN(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C5=C(NNC5=O)C 1 3.221 5 2 0 -5.6225930131152 2929829 C1COCCN1CCOC(=O)COC2=CC=C(C=C2)F.Cl Cl- 1 1.552 1 4 0 -6.72967344106363 2929827 C1CC(OC1)CN2C(=O)C3C4C=CC(C3C2=O)C45CC5 1 0.555 1 3 0 -10.4000249589609 2929824 CCOC1=CC=C(C=C1)C(C2=C(N(C(=NC2=O)SC)C)O)C3=C(N(C(=NC3=O)SC)C)O 1 3.88 4 5 0 -6.36300607026045 2929820 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)OCCNC3=NS(=O)(=O)C4=CC=CC=C43 1 2.06 3 5 0 -11.237288025154 2929792 C1CC(OC1)CNC(=S)NC(=O)C2=CC=CC=C2F 1 2.475 2 2 -15.0555571972206 2929786 CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O 1 0.807 3 5 0 -18.8293825465437 2929781 CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)N)C3=CC=C(C=C3)OC)[N+](=O)[O-] 1 2.526 4 7 0 -20.9315399502646 2929778 CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CC4(CC3CC(C4)(C)C)C 1 4.556 2 2 -18.5320122761761 2929761 CCC(=O)N(CCC(C1=CC=C(C=C1)C)C2=CC=CO2)CC3=CC=CO3 1 4.327 1 3 -12.5949391258058 2929750 COC1=C(C=C(C=C1)CCNC2=C(C(=O)N(C2=O)CCC3=CC(=C(C=C3)OC)OC)Cl)OC 1 3.159 2 6 0 -5.15969376585422 2929743 COC1=CC=C(C=C1)NC2CS(=O)(=O)CC2NCC3=CC=CC=C3 1 2.282 2 3 -4.77287264676829 2929740 CC1=CC(=CC=C1)OCC(=O)OC(C)CN2CCCCC2.Cl Cl- 1 3.44 1 3 -4.15676275675613 2929737 CCN(CC)C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C 1 1.549 3 3 0 -21.941493457885 2929726 CC1CCC2=CC=CC=C2N1C(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.679 1 4 -11.3583967596099 2929720 CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NCCCN2C=CN=C2 1 1.508 4 2 0 -17.3945353283681 2929716 CN(C)C(=O)OC1=CC=C(C=C1)NC(=O)N2CCOCC2 1 0.809 3 4 0 -11.3531131954971 2929714 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)C3=NC4=C(S3)C=C(C=C4)OC 1 4.036 2 3 -1.19740505435868 2929712 CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)NC4=CC=C(C=C4)O.Cl Cl- 1 2.618 5 1 8.41199810308026 2929711 CC(CN1CCCCC1)OC(=O)COC2=CC=C(C=C2)Br 1 3.702 1 3 -4.88326660040954 2929691 CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC)C4=C(NNC4=O)C 1 0.928 4 6 0 -17.9809702492413 2929681 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=CC=C4)C(=O)NCC5CCCO5 1 1.964 5 3 0 -26.2502721122171 2929679 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC=C4)S(=O)(=O)NCC5CCCO5 1 4.275 4 3 0 -15.6300156622357 2929678 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCC(=O)OC 1 3.36 1 3 -3.95443141863593 2929660 CC1(CC2CC(C1)(CN2C(=O)CC3=CC(=C(C=C3)OC)OC)C)C 1 3.287 1 3 -17.4951409166782 2929652 C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)N4C=NN=N4)[N+](=O)[O-] 1 3.43 6 2 0 -7.71295315680256 2929649 CC(C)NCC(COC1=CC=C(C=C1)Br)O.Cl Cl- 1 2.38 1 2 -1.1711325947633 2929647 CC(C(=O)NC1CCCC1)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C 1 3.453 2 4 -8.00289392518978 2929646 CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3 1 3.618 3 3 -3.49889122841598 2929633 CC(C)C(=O)NC(C1=CC=CS1)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-] 1 3.384 3 4 0 -8.43809914401246 2929631 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-] 1 4.766 4 3 0 -8.7741809236034 2929630 CCN(CC)C(=O)OC1=CC=C(C=C1)NC(=O)N2CCOCC2 1 1.506 3 4 0 -13.2221278392161 2929628 C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)N=CC6=CC=C(O6)C7=CC(=CC=C7)C(=O)O 1 4.703 2 5 0 -4.44191525386108 2929627 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CC=CCC3C(=O)O)N4CCOCC4)Cl 1 3.602 3 5 0 -7.12828845059262 2929620 CC1CN(CC(O1)C)C(=S)NC2=CC=C(C=C2)Cl 1 4.155 2 1 -11.3451466494472 2929617 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCCC4C3CCCC4 1 3.222 2 3 1.99533623559564 2929612 CC1=C(C(=O)N=C(N1CC2CCCO2)C)C3=CC=CC=C3 1 1.809 2 2 0 -9.07806879288325 2929611 CC(=O)NC1=CC=C(C=C1)OC(=O)N(C)C2=CC=CC=C2 1 2.496 2 3 -7.94211944325121 2929605 CC1(CC2CC(C1)(CN2C(=O)C3=CC=C(C=C3)OC)C)C 1 3.269 1 2 -12.9907832704194 2929604 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=CC=C5OC 1 5.214 1 2 0.153293124840957 2929590 CC12CC3(CC(C1)(CC(C2)(C3)NC(=O)NCCOC)C)C 1 2 2 2 0 -15.0055370470213 2929579 CC(=O)OC1=CC=CC(=C1)N2C(=O)C3CC=C(CC3C2=O)Cl 1 2.012 1 4 -4.77455329209597 2929568 C1COCCN1C(=O)OC2=CC=C(C=C2)F 1 1.692 1 3 0 -4.43016422820115 2929563 CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3)C(=O)NC4=CC=CC=C42)N 1 2.274 2 4 -18.330869971861 2929553 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC2CCCCC2)C3=CC=CC=C3F 1 4.747 2 3 -20.1507548108011 2929548 CC(C(=O)NC1CCCCCC1)N(C2=CC=CC=C2)S(=O)(=O)C 1 2.805 2 3 -10.5978258202863 2929546 CC1(CC2CC(C1)(CN2C(=O)CON=CC3=CC(=C(C=C3)OC)OC)C)C 1 2.97 2 4 -14.5670557729913 2929536 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CN=CC=C3 1 1.674 3 3 0 -11.6906459339545 2929522 CC1(CC2(CCO1)C(CC(=O)O2)C(=O)NC3=CC=C(C=C3)OC)C 1 1.014 1 5 0 -9.5354077080335 2929521 CC(C)CC1=NN=C(S1)NC(=O)CC(C)C2=CC=CC=C2 1 3.467 3 1 -9.54907448226352 2929496 COC1=CC(=C(C=C1)OC)C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O 1 3.103 4 6 0 -11.2421634002767 2929456 C1CCN(CC1)C(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.076 3 5 0 -17.2212049102429 2929455 C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCNCC3)[N+](=O)[O-])F 1 3.049 4 2 -6.25774965205333 2929450 CN(C)CCOC(=O)CC1=CC=C(C=C1)OC.Cl Cl- 1 1.842 1 3 0 -3.79245086421018 2929432 C1CCN(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.282 3 3 0 -18.7647015123046 2929422 CSC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)O)C3=C(N=C(NC3=O)SC)O)O 1 2.894 4 5 0 -9.36878230249012 2929403 C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)SC(F)F 1 4.82 2 1 -8.4824316538596 2929395 CN(C)C1=CC=C(C=C1)CNCCC(CC2=CC=CC=C2)C3=CC=CO3 1 4.815 2 1 -3.33500447300631 2929394 CCCC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 2.57 2 3 -23.3115416758382 2929373 CC1=CC=C(C=C1)N2C(=O)C3C(C3(C2=O)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6 1 5.545 1 2 -0.922426550013563 2929368 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)N5CCC(CC5)N6CCCCC6 1 4.539 4 2 13.3930594231169 2929366 CC1(CC2(CCO1)C(CC(=O)O2)C(=O)NC3=CC=CC4=CC=CC=C43)C 1 1.939 1 4 0 -9.46086441056037 2929356 CC(=O)C1=CC=C(C=C1)OC(=O)N(C)C2=CC=CC=C2 1 3.115 1 3 -7.48483848127002 2929353 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)CCOC(=O)C3=CC=CC=C3 1 1.327 5 5 0 -16.3992750478293 2929336 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(F)(F)F 1 2.318 1 3 -11.3299265372115 2929325 CC1(CC(=C(C(=O)C1)C(=O)C2=CC=CC=C2)NCCO)C 1 1.674 1 3 0 -9.65322083184643 2929318 CC1(CC2CC(C1)(CN2C(=O)COC3=CC=C(C=C3)OC)C)C 1 3.104 1 3 -12.8562677667203 2929296 CCOC(=O)N1CCN(CC1)C(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C 1 3.155 3 5 0 -12.1184170010432 2929292 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)CC3(C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)O 1 3.427 1 6 0 -11.6699539065596 2929286 CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)OC)S(=O)(=O)C3=CC=CC=C3 1 2.449 2 6 0 -17.6600605864735 2929283 COC1=CC(=C(C=C1)N(CC(=O)NCCSC2CCCCC2)S(=O)(=O)C3=CC=CC=C3)OC 1 4.022 2 5 0 -20.0171218054856 2929280 C1CCCN(CC1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)Br 1 4.829 1 2 -0.666410109343946 2929278 CCC(C)C(C(=O)N1CCOCC1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 2.559 3 4 0 -26.7433483140184 2929270 CC1=CC=C(C=C1)C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O 1 3.622 4 4 0 -10.3229034791712 2929233 CC1=C(C2=NSN=C2C=C1)NC(=O)CCC3=CC=CC=C3 1 3.719 3 1 -8.00444851475334 2929232 CC1=CC(=CC(=C1)NC(=O)C2(CC2(Cl)Cl)C3=CC=CC=C3)C 1 4.367 1 1 -2.90972868560387 2929229 CC(C)C1=NC(CC2=CC(=C(C=C21)OC)OC)(C)C.Cl Cl- 1 3.584 1 2 -3.61423829349305 2929224 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4CCC5=CC=CC=C5C4 1 3.77 3 3 5.89177591738085 2929222 CC1CCCC(N1C(=O)COC2=CC=CC=C2F)C 1 2.957 1 2 -7.47490863620296 2929208 CC(C1=CC=CC=C1)NC(=O)CCC(=O)NC(C)C2=CC=CC=C2 1 2.719 2 2 -13.337491155195 2929190 CC(C)(C)N1C(=O)C2C3C=CC(C2C1=O)C4C3C(=O)N(C4=O)C(C)(C)C 1 0.571 2 4 0 -4.45512365077027 2929189 CC1(CC2(CCO1)C(CC(=O)O2)C(=O)NC(C)(C)C)C 1 0.385 1 4 0 -15.8313292655166 2929133 CC1CN(CC(O1)C)C(=S)NC(=O)C2=CC=C(C=C2)OC 1 2.873 2 3 -14.9593283786725 2929129 CCOC1=CC=CC=C1NC(=O)CC2C(=O)NC3=C(N2)C=C(C(=C3)C)C 1 2.769 3 3 -17.7197167059575 2929122 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C 1 1.43 4 5 0 -15.976725307653 2929115 CC1=CC=CC=C1N(CC(=O)NCCSC2CCCCC2)S(=O)(=O)C3=CC=CC=C3 1 4.541 2 3 -21.9615328895194 2929107 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)C3CCCO3 1 1.464 1 5 0 -10.3478157940383 2929094 CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)NC4=CC=C(C=C4)F 1 3.677 3 3 -10.0270921445405 2929091 C1CCC(C1)N2C3=C(C=C(C2=N)C(=O)NCC4CCCO4)C(=O)N5C=CC=CC5=N3 1 1.015 5 3 0 -28.5184625175228 2929081 COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NN3C(=O)C4C5C=CC(C4C3=O)C6C5C6 1 2.948 2 5 0 -5.71056138122642 2929073 C1CN2C(N(C(=O)N2C1)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5 1 3.463 3 1 -3.0147468271131 2929069 CCCCC(C(=O)O)SC1=NC(=O)C(=C(N1)C)CC2=CC=CC=C2 1 4.304 2 3 -17.4757666317936 2929059 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=C(O5)C6=C(C=C(C=C6)F)[N+](=O)[O-] 1 3.192 3 5 0 -2.65941548144347 2929051 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)F 1 2.803 3 2 -21.6914391177198 2929050 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC=C)C(=O)NCCCOC 1 0.248 5 3 0 -30.3561498090682 2929033 CC1=CC=CC(=C1)C(=O)OC(C)CN2CCOCC2.Cl Cl- 1 2.375 1 3 -7.40634030696905 2929031 CN(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)F 1 3.581 1 2 -3.0582789250081 2929026 C1COCCN1CC(CS(=O)(=O)C2=CC=CC=C2)N3CCOCC3 1 1.037 2 4 0 -9.11574012369255 2928994 CS(=O)(=O)N(CC(=O)NCC1CCCO1)C2=C(C=CC(=C2)Cl)Cl 1 1.694 2 4 0 -19.0987226637267 2928992 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CN=CC=C3)Cl 1 3.901 4 3 0 -7.27178315828477 2928987 CCCN(CCC)C(=O)C1CC(=O)OC12CCOC(C2)(C)C 1 1.405 1 4 0 -13.3524360725144 2928985 CC1=CC=C(C=C1)NC(=O)C2CC(=O)OC23CCOC(C3)(C)C 1 1.517 1 4 0 -9.12244149888936 2928978 CCSC1=NN=C(S1)NC(=O)CSC2=NC=CC=N2 1 1.656 5 1 0 -18.1208970695747 2928973 C1=CC=C2C(=C1)C(=CS2(=O)=O)SC3=NC4=C(O3)C=CC(=C4)Cl 1 3.599 1 3 1.03994953540157 2928969 CC1(CC2CC(C1)(CN2C(=O)C3=CC(=C(C=C3)OC)OC)C)C 1 3.252 1 3 -17.2208656744067 2928968 COC1=CC=C(C=C1)C(=O)NC(=S)NC2CCSC2=O 1 2.176 2 3 -15.2581570618508 2928967 CS(=O)(=O)N(CC(=O)N1CCC(CC1)C(=O)N)C2=CC=C(C=C2)OC3=CC=CC=C3 1 1.247 3 5 0 -11.210441599073 2928964 CC1=CC2=C(C=C1C)NC(=O)C(N2)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-] 1 2.315 4 5 0 -16.0679491139247 2928962 COC1=CC(=C(C=C1)NC(=O)C2C(C2(Cl)Cl)C3=CC=CC=C3)OC 1 3.393 1 3 -3.33497604226681 2928954 COC1=CC=C(C=C1)C2N3CCCN3C(=S)N2C4=CC=CC=C4 1 4.18 3 1 -3.24869765819841 2928952 CC1(CC2(CCO1)C(CC(=O)O2)C(=O)NC3=CC(=CC=C3)OC)C 1 1.014 1 5 0 -9.17870231334583 2928951 C1CCN(C(C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 2.806 3 3 -11.9542129597188 2928936 CC1(CC2CC(C1)(CN2C(=O)CON=CC3=CC=C(C=C3)OC)C)C 1 2.986 2 3 -10.6878722234121 2928921 CN1C(=C(C(=O)NC1=S)C(C2=CC=CC=N2)C3=C(N(C(=S)NC3=O)C)O)O 1 2.53 5 4 0 -4.62017007515277 2928916 C1CCN(CC1)C(=O)OC2=CC=C(C=C2)NC(=O)N3CCOCC3 1 1.726 3 4 0 -10.3750167155649 2928915 CC1(C2(CCC1(CC2=O)C(=O)NC3=CC=C(C=C3)OC)C)C 1 2.564 1 3 -9.74728578122793 2928913 CCOC(=O)C1CCN(CC1)C(=O)C(C)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C 1 2.933 2 6 0 -10.1425991206743 2928897 CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC=C 1 3.519 2 1 -15.1500380785263 2928889 CS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 0.319 2 4 0 -15.2949253515079 2928886 CCC(C)C(C(=O)NC1CCCCC1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 3.919 3 4 0 -24.6173281407362 2928885 CC1CN(CC(O1)C)C2=NN=NN2C3=CC=CC=C3 1 1.243 5 1 0 -10.4884286633368 2928875 CC1=CC=C(C=C1)C(CC(=O)N)C2=CC=CO2 1 2.277 1 2 -6.25788549255158 2928869 CN(C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5 1 3.246 3 5 0 -9.19968985599436 2928865 CS(=O)(=O)N(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.647 4 5 0 -12.0038089631918 2928864 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)CC3=CC=CO3 1 2.615 1 3 -4.77951641917079 2928840 CC12CC3(CC(C1)(CC(C2)(C3)NC(=O)N4CCCC4)C)C 1 2.798 2 1 -7.74327055699242 2928839 CC1CN(CC(O1)C)C(=S)NC2=CC=C(C=C2)Br 1 4.239 2 1 -12.8018063945486 2928835 CC1(CC2CC(C1)(CN2C(=O)CN3C(=O)C4=CC=CC=C4C3=O)C)C 1 2.169 2 3 -14.8263792597228 2928834 CC1(CC2CC(C1)(CN2C(=O)C34CCC(C3(C)C)(C(=O)C4)C)C)C 1 3.251 1 2 -16.4051897293432 2928826 CC1CC(C2=C(N1C(=O)C)C=CC(=C2)C)C3=CC=CC=C3 1 3.834 1 1 -4.76232345604603 2928823 CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C(=O)C4CC=CCC4C3=O)N5CCCCC5 1 4.361 3 3 -3.00182893449182 2928818 CC1=CC2=C(C=C1C)N(C=N2)C(=O)N3CCCCCC3 1 3.883 3 1 -3.41588870494062 2928815 CC(CN1CCOCC1)OC(=O)CC2=CC=C(C=C2)OC 1 1.907 1 4 0 -7.29355735384383 2928811 CC1CCCCN1C(=O)COC2=CC=CC=C2F 1 2.579 1 2 -7.46654716880028 2928807 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CC3CCC2C3)C4=CC=CC=C4OC 1 3.152 2 5 0 -15.820338989426 2928803 C1CCCN(CC1)C(=O)OC2=C(C3=CC=CC=C3C=C2)Br 1 4.829 1 2 -0.908743122480742 2928798 CC1=CC2=C(C=C1C)NC(=O)C(N2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.732 3 4 0 -23.6581142746586 2928788 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC(=CC=C3)F 1 2.252 2 3 -1.3565286082893 2928780 CN(C)C(=O)OC1=CC=CC(=C1)NC(=O)N2CCOCC2 1 0.809 3 4 0 -11.5051895271452 2928779 C1CCCN(CC1)C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3 1 4.023 2 2 -2.95664599120957 2928771 CS(=O)(=O)N(CC(=O)NCC1CCCO1)C2=CC(=CC=C2)[N+](=O)[O-] 1 0.26 3 6 0 -23.287794621066 2928770 C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)COC3=CC=C(C=C3)Br 1 4.376 2 2 -6.30782289605035 2928755 C1C=C(CC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O)Cl 1 1.874 1 4 0 -6.03957273255903 2928751 CC1=CC=CC(=C1)C(=O)N2CC3(CC2CC(C3)(C)C)C 1 3.771 1 1 -12.0720444505423 2928745 COC1=CC=C(C=C1)CC2=NN=C(S2)NS(=O)(=O)C 1 1.158 3 3 0 -9.93933122214618 2928736 CCCCC(=O)NC(C1=CC=CS1)C2=CC(=C3C=CC=NC3=C2O)Cl 1 4.604 2 2 -6.97953290377926 2928733 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)C#N 1 0.73 5 2 0 -24.3185103351794 2928718 CSC1=NC(=C(C(=O)N1)C(C2=CC=CC=C2)C3=C(N=C(NC3=O)SC)O)O 1 3.136 4 4 0 -12.1386093846263 2928717 C1CCN(CC1)CN(CCN(CN2CCCCC2)C=O)C=O 1 0.896 4 2 0 -3.51801761670562e-002 2928707 CCCC(=O)NC(C1=CC(=C(C=C1)OC)OC)C2=CC(=C3C=CC=NC3=C2O)Cl 1 4.268 2 4 -12.0014501169554 2928698 CC(C)CC(=O)NC(C1=CC=CC=C1Cl)C2=C(C=CC3=CC=CC=C32)O 1 5.275 1 2 -6.81447312504095 2928697 CC(C)CC(=O)NC(C1=CC=C(C=C1)OC)C2=C(C=CC3=CC=CC=C32)O 1 4.594 1 3 -6.35229415089656 2928693 CC1=C(C(=O)NN1)C(C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C5=C(NNC5=O)C 1 2.097 5 2 0 -6.44690746310091 2928691 COC(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)F 1 2.611 1 2 -18.0040799741173 2928682 CC1(CC(=C(C(=O)C1)C(=O)C2=CC=CC=C2)NCC=C)C 1 2.83 1 2 -14.703764380372 2928678 C1CC2=C(C1)SC3=NC=NC(=C23)NC4=CC(=CC=C4)F.Cl Cl- 1 4.333 3 0 -1.32350397967998 2928665 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4COC5=CC=CC=C5O4 1 2.325 2 5 0 -4.41399785353364 2928664 C1C=C(CC2C1C(=O)N(C2=O)C3=NC=NN3)Cl 1 0.546 4 2 0 -6.71569465911513 2928661 COC1=C(C=C(C=C1)N(CC(=O)NCCSC2CCCCC2)S(=O)(=O)C3=CC=CC=C3)OC 1 4.022 2 5 0 -22.4512132690354 2928644 C1CCCN(CC1)C(=O)OC2=C3C=CC(=CC3=NC=C2)Cl 1 4.023 2 2 -2.63053363730561 2928633 CC(C)CC(=O)NC(C1=CC=CC=C1)C2=C(C=CC3=CC=CC=C32)O 1 4.61 1 2 -7.92344684421994 2928620 CC1=C(C2=CC=CC=C2N1)CCCNC3CCCCC3.Cl Cl- 1 4.442 2 0 1.70348948664377e-002 2928619 CC1(CC2CC(C1)(CN2C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)C)C 1 2.739 2 3 -18.0516021930385 2928615 C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 0.624 4 4 0 -27.3272874826317 2928606 COC1=CC=C(C=C1)OCC(CNCC2=CC=CO2)O 1 1.654 1 4 0 -2.40286226788868 2928598 CC(C(=O)N1CCC(CC1)C(=O)N)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C 1 1.731 3 5 0 -6.93011929820211 2928593 CC1=C(C2=CC=CC=C2N1C)C=NN3C(=O)C4C5CC(C4C3=O)C=C5 1 2.4 3 2 -0.298681651925019 2928584 CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)NC(=O)C23CC4CC(C2)CC(C4)C3 1 3.741 3 4 0 -13.8811775831597 2928579 CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)NCC4CCCO4 1 2.254 3 4 0 -18.9706790670995 2928576 CN(C)CCCOC(=O)CCC1=CC=CC=C1.Cl Cl- 1 2.377 1 2 -5.05236883893053 2928555 CCOC(=O)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F 1 1.911 3 2 0 2.96386878516263 2928546 CC(=O)OC1=CC=CC(=C1)C(=O)N(CCC(=O)OC)C2=CC=CC=N2 1 1.932 2 5 0 -14.463307064774 2928544 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 4.569 2 3 -17.505756049447 2928538 C1=CC(=CC=C1C2=NN=C(O2)SCC#CCO)Br 1 3.011 2 2 -2.63754884584643 2928530 C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4 1 3.419 2 2 -7.29993835088822 2928528 CC1=CC(=C(C=C1)C)NC(=O)C2=C(NC(=O)NC2C3=CC(=C(C=C3)OC)OC)C 1 2.933 3 4 0 -35.4714489028954 2928527 CC1CN(CC(O1)C)C(=S)NC2=CC(=CC=C2)Cl 1 4.155 2 1 -10.4182760833285 2928519 CC1=CC=CC=C1C(=O)OCCN2CCOCC2.Cl Cl- 1 1.998 1 3 0 -7.78766035505015 2928505 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br 1 3.346 3 2 -23.1171058378649 2928499 CN(C)CCCOC(=O)CC1=CC=C(C=C1)Cl.Cl Cl- 1 2.585 1 2 -1.72820534405401 2928467 CC1(CC2CC(C1)(CN2C(=O)C3=CC=CS3)C)C 1 3.239 1 1 -15.8273493309544 2928451 CC(=O)OC1=C(C=C2C(=C1)OC(CC23CC(NC(=S)N3)(C)C)C4=CC=CC=C4Cl)Cl 1 5.163 2 3 -3.52675002982356 2928448 COC1=CC(=C(C=C1)N(CC(=O)NCCSC2CCCCC2)S(=O)(=O)C)OC 1 2.446 2 5 0 -19.1849364989274 2928439 C1CSC(=O)C1NC(=S)NC(=O)C2=CC=CC=C2F 1 2.398 2 2 -15.9500656282955 2928438 CCC(C)SCC1=NC2=CC=CC=C2N1 1 3.337 2 0 -3.12509516033418 2928436 C1CC(OC1)CNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CO5 1 0.378 5 4 0 -27.4793555770681 2928413 CC(C)C(=O)NC(C1=CC=CC=C1)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-] 1 3.537 3 4 0 -10.1509144445755 2928411 CC1=CC=CC=C1NC(=O)C2CC(=O)OC23CCOC(C3)(C)C 1 1.517 1 4 0 -11.0492094314464 2928410 CC1CCCCN1C(=O)COC2=CC=C(C=C2)F 1 2.579 1 2 -6.50009019449774 2928409 CC1CCC2=CC=CC=C2N1C(=O)C3=CC=CS3 1 3.682 1 1 -11.0233932128759 2928407 CN1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCCCCC3 1 3.585 4 2 -0.248103038511111 2928405 CC(=O)NC1=CC=CC=C1C(=O)N2CC3(CC2CC(C3)(C)C)C 1 2.405 2 2 -18.6732528414448 2928375 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC(=S)NC3CCS(=O)(=O)C3 1 2.835 3 4 0 -21.7186415179793 2928370 CCOC(=O)C1=NNC(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl 1 3.499 2 3 -4.46083990650731 2928340 CC(=O)OC1=C(C=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5)[N+](=O)[O-] 1 1.481 2 6 0 -7.50529946796451 2928334 CC1CCC2=C(C1)C(=C3C4=C(CCCC4)SC3=N2)N 1 4.149 2 0 -8.15701267897215 2928327 CC1=CC=C(C=C1)OCCN2CCN(CC2)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CO5 1 4.167 5 2 0 7.40530766798721 2928301 CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CC=CCC3C(=O)O)N4CCOCC4 1 2.937 3 5 0 -7.50301493074275 2928283 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)C(=O)NCC5CCCO5 1 1.461 5 3 0 -28.8747688919185 2928273 CCC(C)NC(=S)NC1=CC=CC=C1OC 1 3.745 2 1 -13.565600419921 2928268 CC(CN1CCCCC1)OC(=O)COC2=CC=C(C=C2)OC 1 2.937 1 4 -5.80684832623862 2928265 CC(C)NC(=O)C1=CC=CC=C1NC(=O)C2COC3=CC=CC=C3O2 1 2.322 2 4 -14.1528045160074 2928258 CC(C(=O)NCCOC)N(C1=CC=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)C 1 1.92 2 5 0 -11.0996329657449 2928240 CN(C)CCOC(=O)CC1=CC=C(C=C1)Cl.Cl Cl- 1 2.523 1 2 -1.62852891311426 2928234 CCC(=O)N(CCC(CC1=CC=CC=C1)C2=CC=CO2)CC3=CC=CO3 1 4.297 1 3 -9.96986185916396 2928233 CCN(CC)C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2 1 1.063 3 3 0 -22.8375030971211 2928232 CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CN=CC=C3 1 3.236 4 3 0 -7.56380110797185 2928228 CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCCCN(C)C.Cl Cl- 1 3.122 1 3 -2.0066812980587 2928227 COC1=CC=C(C=C1)C(=O)NC(=S)NCC2CCCO2 1 2.254 2 3 -14.3636486307759 2928223 CC(C(=O)N1CC2(CC1CC(C2)(C)C)C)N3C(=O)C4=CC=CC=C4C3=O 1 2.653 2 3 -19.0051754302369 2928210 CC1=CC=C(C=C1)C(=O)OC(C)CN2CCOCC2.Cl Cl- 1 2.375 1 3 -6.79556631087829 2928204 CC(CN1CCOCC1)OC(=O)CC2=CC=CC=C2.Cl Cl- 1 1.924 1 3 0 -7.76644899811434 2928201 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3CCCCNC3=O 1 0.576 3 4 0 -14.6649788615527 2928197 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N 1 3.448 1 1 6.00181631612512 2928182 C1C2C=CC1C3C2C(=O)N(C3=O)C4=NC5=CC=CC=C5C=C4 1 2.412 2 2 3.97343954693982 2928171 CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)NCC3CCCO3)S(=O)(=O)C 1 2.583 2 4 -18.4002351377479 2928149 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=CC=CC=C32 1 2.466 3 4 0 -9.47720914920379 2928147 COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.555 4 3 0 -8.91186771124474 2928142 CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)O 1 1.967 1 4 0 -11.7915649470842 2928141 CC1(CC(=C(C(=O)C1)C(=O)CCC(=O)OC)N)C 1 0.178 1 4 0 -16.9432601483865 2928135 CNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.717 4 2 -8.27890714489983 2928132 CC(CN1CCCCC1)OC(=O)COC2=CC=C(C=C2)Cl.Cl Cl- 1 3.618 1 3 -3.4266068553081 2928127 C=CCN1C=C(C2=CC=CC=C21)C=NN3C(=O)C4C5CC(C4C3=O)C=C5 1 2.872 3 2 -2.49917796390296 2928120 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N)N3C(=O)C4CC=CCC4C3=O 1 2.093 3 3 -4.89969632817213 2928113 CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OS(=O)(=O)C4=CC=C(C=C4)C 1 1.762 4 6 0 -18.166372476386 2928112 COC1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C3CCCO3 1 2.581 3 3 -25.4536539791467 2928111 CCC(C)C(C(=O)O)NC1=C2C(=CSC2=NC=N1)C3=CC=CC=C3 1 4.243 3 2 -10.5541019116207 2928110 CCOC(=O)C1=C(OC(=C(C1C2CCCCC2)C#N)N)C 1 2.636 2 3 -11.5736145500897 2928104 CC(CN1CCOCC1)OC(=O)COC2=CC=C(C=C2)OC 1 1.708 1 5 0 -8.20545453715071 2928101 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N(C)C 1 0.851 3 3 0 -21.8080375335478 2928098 CCOC(=O)C1CCCN(C1)C2CC(=O)N(C2=O)C3=CC=CC=C3 1 1.827 2 4 0 -1.64407064287227 2928093 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3CCCCNC3=O 1 0.925 3 4 0 -15.4312020132607 2928091 CC(C1=CC=CC=C1)NCC(COC2=CC=C(C=C2)Br)O.Cl Cl- 1 3.615 1 2 0.685439456916539 2928088 C1CCN(C1)C2=C(C=C(C(=C2)N3CCNCC3)[N+](=O)[O-])F 1 2.136 4 2 -5.90328113788525 2928087 CC(=O)OC1=C(C=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C45CC5)[N+](=O)[O-] 1 1.435 2 6 0 -5.38898867054681 2928086 C1CC2=C(C1)SC3=NC=NC(=C23)NCCCN4C=CN=C4 1 2.191 5 0 -3.25975327894037 2928075 CC(CN1CCOCC1)OC(=O)CC2=CC=C(C=C2)Cl.Cl Cl- 1 2.588 1 3 -5.12963540274792 2928016 CC1(CC2CC(C1)(N(C2)C(=O)CC3=CC=CC=C3)C)C 1 3.251 1 1 -6.98105016816784 2928031 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)C(=O)NCCC5=CC=CC=C5 1 1.964 5 3 0 -28.4951003104485 2928061 CC1=C(C(=NN1C(=O)N2CCOCC2)C)C(=O)C 1 0.321 3 3 0 -8.95238756348951 2928059 CCC(C(=O)NC1=NOC(=C1)C)SC2=NC3=C(S2)C=C(C=C3)OCC 1 4.112 3 3 -19.9459806710753 2928055 CC1=NC(=CC=C1)NC2=NC(=CS2)C3=CC(=C(C=C3)F)C 1 4.049 3 0 8.6296254390414 2928045 CC1=CC=CC=C1C(=O)OC2CCCN(C2)C.Cl Cl- 1 2.8 1 2 -5.2741757582923 2928036 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)OC)S(=O)(=O)NC(C)(C)CO 1 3.03 3 4 0 -10.7526603643227 2928011 C1C=CCC(C1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O 1 1.711 2 5 0 -6.0660011214895 2928005 CCOC1=CC=C(C=C1)CN2CCN(CC2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O 1 5.03 3 2 6.54239391421491 2927953 C1=CC=C(C=C1)CCC(=O)NC(C2=CC=CS2)C3=CC(=C4C=CC=NC4=C3O)Cl 1 5.18 2 2 -6.63063122877113 2927961 C1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-] 1 2.192 3 2 -1.77681326157467 2927964 CCOC1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)C 1 5.562 1 2 -0.639957624039035 2927998 C1CCCN(CC1)C(=O)N2C3=CC=CC=C3N=C2CC4=CC=CC=C4 1 4.87 3 1 -1.53912813365992 2927980 CCC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCCC5=CC=CC=C5)C)C 1 4.516 4 2 -16.8048306618669 2927976 CC1CN(CC(O1)C)C(=S)NC2=CC=CC=C2 1 3.49 2 1 -13.3237994784073 2927973 C1COCCN1C2=CN=C(C=C2)[N+](=O)[O-] 1 0.962 3 3 0 -3.36589938428744 2927924 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(F)(F)F 1 2.999 1 2 -9.09496163748058 2927919 C1CN2C(N(C(=S)N2C1)C3=CC=CC=C3)C4=CC=CC=C4 1 4.196 3 0 -3.58111659536275 2927906 C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)N=CC6=CC(=CC=C6)O 1 3.626 2 3 -3.11758451821487 2927893 C1CN(CC1C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)F 1 3.097 1 2 -2.57680582116501 2927891 CC1CN(CC(O1)C)/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C 1 1.5 3 2 0 -7.32692190143105 2927889 CCC(C(=O)OC)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2 1 2.537 2 4 -18.9086908473016 2927876 CC(CN1CCOCC1)OC(=O)C(C)(C2=CC=CC=C2)C3=CC=CC=C3 1 3.835 1 3 -4.84831532349335 2927855 CCC(C)C(C(=O)NCCCN1C=CN=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC 1 2.453 5 4 0 -25.0144596255251 2927833 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NN=C(S3)CC4=CC=C(C=C4)OC 1 0.953 7 4 0 -26.9283433411515 2927831 C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.361 4 2 4.33719587138527 2927823 CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)C4=C(NNC4=O)C 1 2.132 4 3 0 2.27145621802816 2927817 CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)S(=O)(=O)C 1 3.569 2 5 0 -13.9331203850517 2927808 CC1=C(C(=CC=C1)C)OCC(=O)N2CC3(CC2CC(C3)(C)C)C 1 4.093 1 2 -14.6974979666835 2927796 COC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C4=CC=CC=C4 1 3.018 3 5 0 -21.0894933932271 2927789 CN(CC1=CC=NC=C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)F 1 1.654 3 2 0 -0.585988667633346 2927786 C1CC(OC1)CNC(=S)NC(=O)C2=CC=C(O2)Br 1 2.233 2 3 -14.793328452848 2927784 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4CCC5=CC=CC=C5C4 1 3.923 3 2 7.07096527823301 2927778 CC1=[N+](C2=CC=CC=C2N1CC(COCC3=CC=CC=C3)O)C.[I-] I- 1 3.19 2 2 -0.73289219374118 2927771 C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.699 3 4 0 -18.4607189426078 2927766 CC1=CC=C(C=C1)C(=O)OCCN(C)CC2=CC=CC=C2.Cl Cl- 1 3.893 1 2 -0.224585264427033 2927756 C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC3=NC=CC=N3 1 1.81 3 2 0 0.383801845205479 2927755 CC(=O)N1C(C(=C(NC1=O)C2=CC=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 2.216 3 4 0 -11.8409516171772 2927753 C1CN2CCC1C(C2)OC(=O)COC3=CC=CC=C3.Cl Cl- 1 2.056 1 3 -1.71508852758685 2927741 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)OC 1 1.879 2 4 0 -20.1105682232684 2927717 CC1=CC=CC=C1CN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CC=NC=C4)O 1 2.759 2 3 -8.5800327369332 2927716 CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C(=O)C4CCCCC4C3=O)N5CCOCC5 1 3.576 3 4 0 -6.11085061476517 2927713 CC1(C2(CCC1(CC2=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C)C 1 2.822 2 3 -5.63326247921483 2927710 CC1CN(CC(O1)C)C(=S)NC2=CC(=CC=C2)F 1 3.696 2 1 -11.3761396744035 2927707 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)OC)S(=O)(=O)NCCO 1 2.447 3 4 0 -9.62576644357069 2927702 CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CCCC3C(=O)O 1 1.639 3 4 0 -7.30186789647597 2927700 CC1=CC=C(C=C1)NC2CC(=O)N(C2=O)C3=CC=C(C=C3)C 1 3.307 2 2 -6.85236868230298 2927686 CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)OC)C 1 2.299 3 2 -11.5292117084131 2927682 C1CC(CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C(F)(F)F 1 2.007 2 3 -14.5063273791669 2927676 CCC(=O)C1=CC=C(C=C1)OC(=O)N2CCOCC2 1 1.894 1 4 0 -9.43523705544494 2927674 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)NCCO 1 3.145 4 5 0 -13.9823520511145 2927664 CC1CCN(CC1)C(=O)C2CCCCN2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.328 3 5 0 -19.4603944782785 2927638 CC1CN(CCN1C(=O)N2CCCCC2)C(=O)N3CCCCC3 1 1.412 4 2 0 -6.52609702737999 2927627 CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 3.375 1 3 -7.27929219049932 2927621 CC(C(=O)NC1CCCCCC1)N(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 2.789 2 4 -10.5085919410827 2927618 CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)C(=O)O)C(=O)C1)C 1 4.9 1 3 -18.0631458436668 2927614 CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)C(=S)N3CCOCC3)OC 1 4.257 1 4 -14.7455065993482 2927611 CCC(=NN1C(=O)C2=CC=CC=C2NC1(C)CC)C 1 2.242 3 1 -6.2667218420221 2927599 C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=S)SCC(=O)O 1 1.564 2 3 0 -12.0449753758418 2927588 CCOC(=O)CN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=CC=N3)O 1 1.173 2 5 0 -12.8907518039567 2927587 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC(=CC=C3)F 1 4.777 4 2 -7.06460123115782 2927570 CC(C)CN(CC(C)C)C(=O)C12CCC(C1(C)C)(C(=O)C2)C 1 3.593 1 2 -12.3051485497885 2927566 CC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=CO3 1 4.188 2 4 -6.97262414151875 2927547 CCOCCCN1C2=C(C=C(C1=N)C(=S)N)C(=O)N3C=CC=C(C3=N2)C 1 0.642 5 2 0 -20.2818758810384 2927541 CN1C(=O)C=CC(=N1)OCC2=CC=CC=C2 1 1.688 2 2 0 -3.76890585699466 2927534 COC1=CC(=C(C=C1)OC)C(=O)CC2(C3=CC=CC=C3N(C2=O)CC#C)O 1 2.999 1 5 -12.7569102535326 2927528 COC(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.3 2 4 -21.8511053741929 2927523 CC(C)CC(=O)NC(C1=C(C2=C(C=CC=N2)C=C1)O)C3=CC=CS3 1 3.735 2 2 -5.00717334356328 2927522 CCC(C)N1C(=O)/C(=C\C2=CC3=C4C(=C2)CCCN4CCC3)/C(=O)NC1=S 1 4.443 3 2 -5.61703718781977 2927507 CC(C)(C)NC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 2.893 2 3 -14.8241751588253 2927505 CCOC1=CC=C(C=C1)N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 4.295 2 6 0 -22.3105417814476 2927499 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4CCC5=CC=CC=C5C4 1 3.421 3 3 6.65799906908887 2927478 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCN4CCOCC4)C(=O)NCC5CCCO5 1 -0.115 6 4 0 -30.3363468097173 2927468 CCNC(=S)N1CC(OC(C1)C)C 1 1.985 2 1 0 -13.9770084688055 2927460 CC1(CC2CC(C1)(CN2C(=O)COC3=CC=CC4=CC=CC=C43)C)C 1 4.029 1 2 -12.2234581149504 2927447 CN1CCCC(C1)OC(=O)CC2=CC=C(C=C2)OC.Cl Cl- 1 2.332 1 3 -2.87504797998045 2927422 CC(C)(C)NCC(COC1=CC=C(C=C1)Br)O.Cl Cl- 1 2.585 1 2 -3.94699533526168 2927420 C1=CC=C2C(=C1)C=CC=C2NC(=O)CON=C(C3=NON=C3N)N 1 0.508 6 3 0 -10.9922957682984 2927419 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)COC5=CC=CC=C5 1 2.626 3 4 0 -7.0183577313729 2927418 CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)C4=C(NNC4=O)C 1 2.132 4 3 0 2.69864542226294e-002 2927417 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CN=CC=C3 1 0.951 4 5 0 -14.4387434904571 2927408 CC1(C(=O)C2(CCCCC2)C(OC1=O)C3=CC(=CC=C3)[N+](=O)[O-])C 1 4.128 1 5 -6.5153064455157 2927401 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC2CCCCC2)C3=CC=C(C=C3)OC 1 4.525 2 4 -18.41047265141 2927397 CN1C(=C(C(=O)N=C1SC)C(C2=CC(=CC=C2)OC)C3=C(N(C(=NC3=O)SC)C)O)O 1 3.531 4 5 0 -5.80658071223729 2927361 CC1(CC(C2=CC=CC3=C2N1C(=O)C3=O)(C)C4=CC=CC=C4)C 1 3.48 1 2 -3.3620315423034 2927353 COC1=CC(=CC(=C1OC)OC)C2CC3=NC(=NC=C3C(=O)C2)NC(=O)C4=CC=CC=C4 1 3.12 3 5 0 -21.1295555780935 2927350 CC(C)CC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)O 1 3.58 1 3 -15.4390109723148 2927348 C=CCN1C(=O)C2=C(N=C1SC(CCO)C(=O)NCC3=CC=CO3)SC4=C2CCC4 1 3.05 3 4 0 -35.2973280830064 2927347 CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 5.081 4 2 -11.1996377022531 2927345 CCOC(=O)C(=O)CC(=O)C1=CC2=C(C=C1)OCCO2 1 1.616 0 6 0 -3.91388231742342 2927343 C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OCC(=O)O 1 2.981 0 4 -6.90628286281681 2927339 CC(C(=O)N1CCCC2=CC=CC=C21)N3C(=O)C4=CC=CC=C4C3=O 1 2.719 2 3 -15.676114046794 2927337 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CCCC(=O)O 1 2.169 1 5 -23.89394399261 2927331 CC(C(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2)N3CCOCC3 1 3.28 2 3 -12.8239430850043 2927323 CCCOC1=CC=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-] 1 2.236 2 4 -8.98143476503389 2927317 CCCNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl 1 3.413 2 3 -12.6611361703759 2927301 CC(=O)NC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=CC=CC=C4S3 1 2.813 3 3 -3.48472634636525 2927293 CCN1C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC=CC=C4 1 4.15 4 1 -1.07794908172512 2927290 COC1=CC2=C(C=C1)OC(CC2=O)C3=CC=CC=C3F 1 3.288 0 3 -1.82022965872184 2927276 CC1CC(NC2=C1C=C(C=C2)OC(=O)C3=CC=CO3)(C)C 1 3.831 1 3 -10.0263368213979 2927275 COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)C3=CC=C(C=C3)Cl 1 3.853 2 2 2.27686375563012 2927255 CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)N)C 1 1.076 2 2 0 -6.24801677866168 2927241 C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC4=CC=CC=C43 1 3.09 2 3 -13.7938890293034 2927234 C1CN(C2=CC=CC=C21)C(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O 1 3.819 2 3 -15.0191205924509 2927222 CC1=CC(=CC(=C1OCC(=O)N2CCOCC2)C)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.474 2 7 0 -17.9618225283718 2927220 COC1=CC(=C(C=C1)OC)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CS4 1 2.132 2 6 0 -22.5556228970882 2927213 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NN=NN3C4=CC=CC=C4 1 2.828 5 3 0 -9.92806109399756 2927209 C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.51 2 3 -12.2741316518153 2927186 CCOC1=CC=CC=C1N2C(=O)CC(C2=O)SC3=NC=CC(=N3)C 1 2.425 3 3 -6.33560566322342 2927183 COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)OC 1 2.95 2 5 0 -15.3937015562437 2927162 C1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC4=CC=CC=C4O3 1 3.605 3 2 2.52185387427852 2927161 CCOC1=CC=CC=C1N2C(=O)CC(C2=O)SC3=NNC(=N3)C4=CC=CC=C4 1 3.606 4 3 0 -0.585062675192174 2927152 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC3=C(C=C2Cl)OCO3 1 1.812 2 5 0 -9.20672140107867 2927147 CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)O)C 1 1.703 1 3 0 -5.19600089681943 2927143 COC(=O)CN1C(C2=C(C=CC(=C2)Cl)N=C1C3=CC=CC=C3)C4=CC=CC=C4 1 4.818 2 2 -4.60995795784308 2927125 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCNC(=O)C3=CC=NC=C3 1 0.388 4 3 0 -12.2229359793407 2927108 CC(C)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=NN3 1 2.563 4 2 -2.22738240833689 2927079 CC(C)N1CC(CC1=O)C(=O)NC2=CC(=CC(=C2)Cl)Cl 1 2.364 2 2 -3.5424979100389 2927070 C1CCC(CC1)N2C(=NN=N2)SCC3=NC(=NO3)C4=CC=CC=C4 1 3.248 6 1 0 -17.6294417215653 2927068 CC1CC(N2C3=C1C=C(C=C3C(=O)C2=O)C)(C)C 1 2.727 1 2 -0.34410547173014 2927062 CC(C)CC1=CSC(=C1C(=O)O)NC(=O)C2=CC=C(C=C2)Cl 1 4.345 1 3 -4.2276374535342 2927057 CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC(=O)OC)S2)C 1 2.773 2 6 0 -27.98169386137 2927049 CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC(=O)OC 1 3.165 2 4 -15.426833533258 2927043 CCOC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 2.09 2 4 -11.9196174602226 2927040 C1CC(OC1)CNC(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N 1 2.675 3 2 -12.2844526778647 2927039 C1CCC2(C1)OC3=C(O2)C=C(C=C3)N.Cl Cl- 1 1.903 1 2 0 1.36930309568138 2927029 COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(C=C3)OCO4 1 4.032 3 4 0 -10.786137076647 2926991 CC1=NC(=CC=C1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)F 1 3.792 2 3 -14.7079556667842 2926974 CC1CC(N2C3=C1C=C(C=C3C(=O)C2=O)OC)(C)C 1 2.225 1 3 -3.19086549018108 2926968 COC1=C(C=C(C=C1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC=CC=C6OC)O 1 5.809 2 4 -10.8930527121019 2926960 CC(=O)NC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 1.445 4 5 0 0.49159658592278 2926939 CCOC(=O)C1=C(NC(=O)C(C12CCCCC2)C#N)SCC(=O)NC3=CC=CC=C3 1 3.033 3 4 0 -21.6368887282195 2926934 COC(=O)CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F 1 1.712 2 5 0 -17.2963393520779 2926932 CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2Cl 1 4.68 3 2 -16.1252315094406 2926923 CC(=O)C1=CC(=CC=C1)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3 1 1.633 2 3 0 -10.7701552239317 2926916 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)C4=CC=CC=C4O3 1 2.138 1 4 -14.9628180744024 2926903 CC1=C(C(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3)C)NS(=O)(=O)C 1 1.711 3 5 0 -17.7963158508367 2926891 C1C(CC(=O)C2=C1NC3=CC=CC=C3N4C2C5=CC=CC=C5C4=O)C6=CC=CO6 1 3.2 2 3 -29.4875393615029 2926885 CCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCCC4=CC=CC=C43 1 4.645 1 4 -10.092968928708 2926884 COC1=CC(=C(C=C1)OC)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CO4 1 1.574 2 7 0 -20.8075237860877 2926841 CC1=CC(=C(C(=C1)C)NC(=O)C2CC(=O)N(C2)C(C)C)C 1 2.494 2 2 -6.23587001715325 2926837 CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=CS3)C(=O)OCCOC 1 2.17 2 4 -29.3454809219408 2926833 CCOC(=O)C(C1=CC=CC=C1)OC2=C(C3=C(C=C2)C(=CC(=O)O3)C4=CC=C(C=C4)OC)C 1 5.606 0 6 -8.46604759998256 2926832 C1=CC=C(C=C1)NC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O 1 2.225 2 4 -7.18345518344937 2926831 CC1=NC(=NC=C1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.987 4 4 0 -4.2181796982255 2926808 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 3.218 3 4 0 -4.35701421472469 2926788 CC(C1=CC=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3 1 2.564 2 3 -16.4818279475533 2926781 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3CCCO3 1 1.748 1 5 0 -17.6595697233253 2926773 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCNC(=O)C3=CC=NC=C3 1 0.326 4 3 0 -12.0140360418259 2926772 COC(=O)C1=CC=C(C=C1)NC2(C3=CC=CC=C3NC2=O)C#N 1 1.926 3 3 0 -11.0155255767728 2926765 C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=C5C=CC(=C7)[N+](=O)[O-] 1 1.04 3 4 0 -3.21965446681507 2926761 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=NC=C3)C4=CC=CC=N4 1 2.468 4 1 -6.92850390976713 2926751 CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 4.927 4 3 0 -12.3788270631053 2926746 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCCN3CCOCC3 1 0.53 3 4 0 -16.4384472090894 2926732 CC(C)C1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=CC=CC=C3 1 3.087 2 2 -7.16017661122794 2926693 C1CN(CC1C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)Br 1 4.877 2 0 8.5723437428272 2926690 CC1=CC(=C(C=C1)NC2=CC(=O)CC(C2)C3=CC=CO3)N 1 2.453 2 2 -10.8737001211118 2926688 COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)OC 1 3.271 2 5 0 -16.0199707670311 2926678 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=CN=CC=C3 1 1.407 3 2 0 -12.5180620287932 2926676 C1C(CN(C1=O)CCOC2=CC=CC=C2)C(=O)O 1 0.786 1 4 0 -11.3876954032085 2926673 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC(=O)N=C(S2)N 1 0.24 4 3 0 -9.34981472585884 2926669 CCOC(=O)CC1=CC(=O)N=C(N1)N=C(N)NC2=CC(=C(C=C2)C)C 1 1.455 5 3 0 -14.7976509620894 2926662 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=C(C=CC(=C4)Cl)O)C(=O)C1)C 1 4.26 2 2 -17.8572585440021 2926640 CC(C)(CO)NC12CC3CC(C1)CC(C3)C2 1 1.97 1 1 0 -1.41713706425158 2926635 C1CCC(CC1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl 1 2.832 2 2 -8.05962982736368 2926616 C1CCC(CC1)N2CC(CC2=O)C(=O)NCCC3=CC=CC=C3Cl 1 3.16 2 2 -18.1770899556491 2926615 C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)NCC3=CN=CC=C3 1 0.948 3 2 0 -13.6281836939148 2926613 COC1=CC(=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-])OC 1 1.347 2 5 0 -11.3823358802421 2926611 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CC=C3 1 2.212 1 4 -13.3392227729527 2926565 CC1=CC(=C(C=C1)NC(=O)C(C)N2CCOCC2)C(=O)C3=CC=CC=C3 1 3.018 2 3 -13.7310883807544 2926561 COC1=CC(=C(C=C1)OC)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)CS5 1 4.154 2 3 -14.05670080747 2926558 CC1=CC(=NC(=N1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)NC(=O)C)C 1 1.495 4 3 0 -6.26753698452412 2926552 COC1=CC=CC=C1CNC(=O)C(=O)NC2=NC=CS2 1 0.868 3 3 0 -12.8427762794041 2926550 CC(C1=CC=CC=C1)N2CC3=C(NC2)N(C(=O)N(C3=O)C)C 1 1.408 4 2 0 -13.3351910761174 2926531 CC(C(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2)N3CCCCC3 1 4.51 2 2 -12.1225723800779 2926529 CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=C(OC(=O)C=C3C)C 1 4.56 0 5 -12.915222738549 2926481 CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=NC=CN=C3 1 3.273 2 3 -11.6470186871164 2926477 C1C2CC3CC1CC(C2)(C3)CNC(=O)NCC4=CC=CC=C4 1 3.427 2 1 -4.96712803209447 2926474 CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-] 1 3.996 3 3 -0.111634572273253 2926472 CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=C(O2)C)C3=CC=CS3 1 2.671 2 4 -16.8485188106446 2926438 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Br 1 3.726 2 4 -2.49723288649894 2926436 CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)NC(=O)C 1 4.266 1 4 -12.9637578677727 2926426 CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC 1 5.129 0 4 -8.03786096723673 2926418 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 1.483 3 6 0 -24.6923820604174 2926382 CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)CNC(=O)C3=CC=C(C=C3)Cl 1 4.87 1 4 -12.6638261415775 2926312 CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3C 1 5.467 0 4 -9.76531135007489 2926309 CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)CNS(=O)(=O)C3=CC=CC=C3 1 3.909 1 5 -14.6876760921125 2926212 CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=C(O3)C 1 2.609 2 4 -20.0942353000763 2926195 CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 4.03 1 5 -11.2729407305046 2926136 CC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 3.492 2 5 0 -9.91201081720921 2926066 CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)CCC(=O)NC3=CC=CC(=C3)C 1 4.968 1 4 -14.6188517994642 2926054 CCC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)CNC(=O)CC2=CC=CC=C2 1 2.038 2 5 0 -19.2067055400477 2926049 CC1=CC=C(O1)/C=C\2/C(=O)N(C(=S)S2)C3CCS(=O)(=O)C3 1 2.095 1 4 -14.5523436810115 2926035 CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=C(O2)C)C3=CC=CO3 1 2.113 2 5 0 -17.4649058044752 2926028 CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.503 2 3 -15.0937650782783 2926010 CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Br 1 3.996 3 3 2.07125863222749 2925991 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.421 2 4 -15.4110445790265 2925984 C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Br 1 4.956 2 3 -0.908146763786168 2925979 COC1=CC=CC(=C1)C(=O)COC(=O)CCCC(=O)NC2CCCCC2 1 2.998 1 5 -22.2730471165618 2925961 CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)OC)N2C(=O)C3C4CC(C3C2=O)C=C4 1 2.384 1 6 0 -9.98460578719059 2925954 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)NC4=CC=C(C=C4)F 1 0.952 2 3 0 -5.11014833475636 2925950 C1CC2CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=CC=CC=C4Cl 1 2.104 2 3 -12.5385812411927 2925949 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O 1 2.883 2 5 0 -12.0330961177318 2925924 CCC1=CC=C(C=C1)NC(=O)C2(CC2(Cl)Cl)C3=CC=CC=C3 1 4.337 1 1 -2.76040282255289 2925908 CCOC(=O)C(C(C1=CC=CC=C1)NC2=CC=C(C=C2)Br)C(=O)OCC 1 4.483 1 4 -7.27233041360768 2925896 CC1=CC(=C(C=C1Br)C)NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O 1 3.16 2 3 -14.8054293199784 2925891 CC(C1=CC=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5 1 2.203 1 2 -6.91306067478368 2925865 CC1=CC(=[N+](N1CC2=CC=C(O2)C(=O)OC)C)C.[I-] I- 1 1.922 2 3 0 -4.253401851621 2925838 C1CC2CC1C3C2C(=O)N(C3=O)C(CC4=CC=CC=C4)C(=O)NCC5=CC=CC=C5 1 3.238 2 3 -13.4280576755653 2925837 C1CC2CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=CC(=CC=C4)Cl 1 2.104 2 3 -9.79037625591345 2925826 COC1=C(C=CC(=C1)C(C#N)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)O 1 4.281 3 2 2.10208034026789 2925819 CC12C3CC(C1C(=O)N(C2=O)C4=CC=CC=C4OC)C=C3 1 2.087 1 3 -2.63358604280864 2925814 CCC(=O)NC1=CC2=C(C=C1C(=O)C)OCCO2 1 1.143 1 4 0 -11.1626333845312 2925807 CC1=C(C=C(C=C1)Cl)NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O 1 2.59 2 3 -12.1145433097439 2925806 C1CC2CC1C3C2C(=O)N(C3=O)CCC(=O)OCC(=O)C4=CC=C(C=C4)Br 1 2.514 1 5 -16.8558191659416 2925804 C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3 1 2.134 2 3 -15.5825236351901 2925802 CCOC(=O)C1=C(N2CCCC3=C2C1=CC(=C3)C)C 1 3.696 1 2 -4.28416817321232 2925794 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)OCC(=O)C4=CC=C(C=C4)Br 1 1.822 1 5 0 -8.90978165292884 2925790 CN(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.501 3 3 -6.00811240261709 2925788 CC1=CC(=CC(=C1)N2C(=O)CC(C2=O)N3CCOCC3)C 1 1.676 2 3 0 0.853923731588132 2925767 CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2N3C(=O)C4CCCCC4C3=O 1 4.374 1 4 -8.3110673095985 2925731 COC(=O)C(C1CCCC1)C(=O)NC2=NC3=CC=CC=C3S2 1 3.323 2 3 -4.31877090702283 2925726 CC1=C(C=CC=C1Cl)NC(=O)C(C2CCCC2)C(=O)OC 1 3.848 1 3 -7.34506034869885 2925722 CN(C)S(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC3CC3 1 0.783 5 4 0 -17.1686611421287 2925676 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3OC 1 2.202 2 4 -8.56689721527972 2925669 COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C3C4CCC(C4)C3C2=O 1 1.881 2 6 0 -7.22454915653744 2925646 CC1=NN(C(C1)C2=CC(=C(C=C2)OC)OC)C=O 1 0.966 2 3 0 -3.41667947099364 2925642 CC(C)N1CC(CC1=O)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 0.93 3 4 0 -6.52590284554724 2925640 CC1CC2=CC=CC=C2N1C(=O)C3=CC4=C(C=C3)SN=N4 1 3.446 3 1 -10.5822601451948 2925633 CC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4 1 0.486 2 4 0 -8.39298928334273 2925625 CCOC(=O)C(C(C1=CC=CC=C1)NC2=CC(=CC=C2)Br)C(=O)OCC 1 4.483 1 4 -6.43324204731468 2925624 COC1=C(C=C(C=C1)CCNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-])OC 1 2.749 2 6 0 -13.1239804133075 2925620 C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 2.013 1 6 0 -13.3990409822213 2925611 CC1=C(C(NC(=O)N1)C2=CC=CS2)C(=O)N(C)C 1 0.47 3 2 0 -26.7664677099608 2925605 C1C2CC3CC1CC(C2)(C3)NC(=O)CCSC4=CC(=C(C=C4)Cl)Cl 1 5.151 1 1 -5.96943318578859 2925603 CCC1=NN(C(C1)(C(C)(C)C)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.83 3 4 0 -2.72939282220756 2925597 C1CC2CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=CC=CC=C4C(F)(F)F 1 2.382 2 3 -13.4007311791836 2925595 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N3C(=O)C4CCCCC4C3=O 1 2.711 2 6 0 -15.4115199414215 2925582 COC(=O)C1(C(C1(C(=O)OC)C(=O)OC)C2=CC=CC=C2)C#N 1 1.068 1 6 0 -2.26164368177653 2925567 CCOC(=O)C1=C(N(C(=O)C1CC(=O)O)C)C 1 -0.232 1 5 0 -15.6366195430083 2925566 C1=CC(=CN=C1)CN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CC6=CN=CC=C6)C2=O 1 1.668 4 4 0 -1.34869176547938 2925540 CC(C)C1=CC=C(C=C1)CNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 3.654 2 4 -8.22455978467045 2925537 CC(=O)C1=CC(=CC=C1)NC(=O)C2(CC2(Cl)Cl)C3=CC=CC=C3 1 3.134 1 2 -5.1893228364197 2925534 CCCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC(C)C3=CC=CC=C3 1 3.996 4 3 0 -8.05087638488079 2925499 CC1=C(C=C(C=C1)C(=O)COC(=O)C(C)N2C(=O)C3C4CCC(C4)C3C2=O)C 1 2.974 1 5 -14.7667709846987 2925491 C1CC2CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=CC=C(C=C4)F 1 1.645 2 3 0 -11.8273684871536 2925482 CCC1=CC=CC=C1N2C(=O)C3CC=CCC3C2=O 1 2.953 1 2 -1.59754396903814 2925481 CCCC(=O)C1=CC2=C(C=C1)OCCO2 1 2.478 0 3 -8.10862082584625 2925480 C1CC2CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-] 1 1.334 3 5 0 -14.6336432999761 2925476 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N3C(=O)C4CCCCC4C3=O 1 2.711 2 6 0 -15.8625448396508 2925474 CC(C)C(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)[N+](=O)[O-] 1 2.897 3 3 -7.58899329893518 2925470 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4 1 0.951 2 5 0 -10.2444322687787 2925469 CC1=C(C=C(C=C1)C(=O)COC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O)C 1 2.738 1 5 -17.1600411946834 2925459 CC1=C(C=C(C=C1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O)Cl 1 4.382 2 3 -11.3076955732361 2925455 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=NC5=C(S4)C=CC(=C5)Cl 1 5.785 2 3 -15.2314169112062 2925447 COC1=C(C=C(C=C1)Cl)NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O 1 2.087 2 4 -12.9204349005696 2925445 C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl 1 2.846 2 3 -12.0899984092988 2925444 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC 1 5.038 3 3 -11.7464508347458 2925443 CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O)Cl 1 2.59 2 3 -12.1073896587102 2925441 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N3C(=O)C4C5CCC(C5)C4C3=O 1 2.387 2 6 0 -15.7988612040071 2925440 COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4)O 1 1.747 2 6 0 -15.154748583665 2925433 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=C(C=C3)F)F 1 2.28 2 3 -4.02993462649368 2925416 CCCCC(CC)C1OCC(O1)CN2CCCC2 1 3.453 1 2 -3.04259659709308 2925408 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=S)N 1 3.516 3 1 -3.90684495145302 2925404 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O 1 1.317 3 6 0 -18.3541092474637 2925402 CC1=CC=C(C=C1)S(=O)(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F 1 3.521 3 4 0 -6.61164602203351 2925401 C1CC2CC1C3C2C(=O)N(C3=O)CCC(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 1.66 2 7 0 -20.6670184727516 2925396 CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)NC(=O)C 1 0.896 1 7 0 -15.8975009139401 2925354 CC1=CC=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3N2CCC#N 1 3.567 3 2 -8.24729132542262 2925344 CCC1=CC=C(C=C1)C2(N(N=C(S2)NC(=O)C)C(=O)C)C 1 2.478 3 2 -8.84186535053936 2925342 C1=CC=C(C=C1)C(CC(=O)NC2=CC=C(C=C2)C(=O)O)CC(=O)O 1 2.165 1 5 -11.3194556036504 2925341 CCC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O 1 3.858 2 3 -11.4496436880446 2925338 C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=NC=C4 1 0.855 3 4 0 -17.1540010765047 2925330 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)CC4=CC=NC=C4 1 3.531 2 2 -4.7139455077007 2925308 CC1CC(N(N1C2=CC=CC=C2)C(=O)C)O 1 1.496 2 2 0 -2.92335112981235 2925305 C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Br 1 2.929 2 3 -14.2250196600941 2925292 C1C2CC3CC1CC(C2)(C3)NC(=O)CCS(=O)(=O)C4=CC=CC=C4 1 2.807 1 3 -14.9397986145724 2925284 CN(C)CCOC(=O)C1(CCOCC1)C2=CC=CC=C2.Cl Cl- 1 1.965 1 3 0 -6.23787584619684 2925280 CC(=O)OC1=CC=CC(=C1)N2C(=O)C3CC=CCC3C2=O 1 1.779 1 4 0 -3.49785861459945 2925272 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC=N3)C 1 2.093 3 3 -6.08240659011057 2925267 CC1=C(C=C(C=C1)C(=O)COC(=O)C2C3CC(C2C(=O)OCC(=O)C4=CC(=C(C=C4)C)C)C=C3)C 1 5.245 0 6 -5.99404184675647 2925265 CC1=C(C(NC(=S)N1)C2=C(C=C3CCCCC3=C2)OC)C(=O)N(C)C 1 3.408 3 2 -26.4970803786808 2925264 CSCCC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O 1 0.785 1 6 0 -18.8635803935738 2925263 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 1 1.61 3 4 0 -12.422477988737 2925260 CCC(C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)OC(=O)C 1 2.186 1 6 0 -5.31852882041818 2925256 C1CC(OC1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4 1 2.798 4 3 0 -18.5535195963648 2925242 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CCCO3 1 0.969 2 5 0 -23.1848289677844 2925230 CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O)[N+](=O)[O-] 1 1.82 3 5 0 -15.2984967413979 2925224 C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O 1 2.425 2 5 0 -9.40312004080664 2925218 C1C=CCC(C1C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)C#N)C(=O)O 1 3.256 2 4 -4.53490778864696 2925182 C1=CC(=CN=C1)NC(=O)C2=CC3=C(C=C2)SN=N3 1 1.637 4 1 0 -8.53300813323653 2925181 C1C(C(=O)N(C1=O)C2=NC=CC=N2)CC3=CC=CC=C3 1 1.683 3 2 0 -3.0303614623238 2925178 CC1=CC(=NO1)NC(=O)C2CC(=O)OC2C3=CC=CC=C3 1 1.501 2 4 0 -12.2549198263088 2925173 COC1=CC=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2CCCCC2 1 2.998 1 5 -21.7096199814109 2925168 COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 1 1.861 2 6 0 -20.5109758435022 2925166 CC(C)C1=CC=C(C=C1)CNC(=O)C(=O)NCCCN2C=CN=C2 1 1.309 4 2 0 -8.38288493161757 2925163 CCOC(=O)N1CCN(CC1)C(=O)CN(C2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.944 3 5 0 -9.56540554061153 2925136 CCOC(=O)N1CCN(CC1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 2.982 2 3 -10.4466523021734 2925130 CN(CC(=O)NCC1CCCO1)S(=O)(=O)C2=CC=C(C=C2)Br 1 1.114 2 4 0 -17.351906170901 2925127 C1=CC=C(C(=C1)C(=O)CC2(C3=CC=CC=C3N(C2=O)CC(=O)N)O)O 1 0.452 2 5 0 -7.86533948199265 2925123 C1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 1 2.333 2 3 -7.30847667966626 2925115 CC1=C(C=C(C=C1)C(=O)COC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O)C 1 3.609 1 5 -18.6113913927759 2925110 CC1=CC=CC=C1C(=O)OC2=CC=CC=C2N3C(=O)C4CC=CCC4C3=O 1 3.929 1 4 -7.27102346910431 2925109 CCC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)SC3=NC(=O)C=C(N3)C 1 3.556 4 2 -14.2310766870205 2925106 COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4CC=CCC4C3=O 1 2.779 2 4 -6.03855838932366 2925102 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)NC5=NC=CS5 1 1.469 3 3 0 -6.88346234681973 2925090 C1CC2CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=CC=C(C=C4)Br 1 2.188 2 3 -12.1739065671335 2925081 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCC2CCCO2)C3=CC=CC=C3 1 2.506 2 4 -24.12540181062 2925067 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4 1 5.802 3 1 -8.78924932524279 2925055 C1C(C(OC1=O)C2=CC=CC=C2)C(=O)NC3=NC=CC=N3 1 1.105 3 3 0 -6.21964745999247 2925050 CC1=NN(C(C1)(C)C)C(C#N)C2=CC=CC=C2O 1 1.594 3 1 0 -0.612211230102973 2925049 COC(=O)C(C1CCCC1)C(=O)NCC2CCCO2 1 1.48 1 4 0 -15.2230833201118 2925048 CCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 1 2.338 2 5 0 -20.9713664318223 2925042 C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)N 1 0.474 2 3 0 -7.94334811022664 2925039 CC(C)N1CC(CC1=O)C(=O)NC2=NC3=CC=CC=C3S2 1 1.661 3 2 0 -2.60709320824592 2925038 CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(O5)Br)C(=O)C1)C 1 5.127 1 2 -16.8204515743861 2925037 C=CCN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=C(C=C3)Cl)O 1 3.121 1 3 -9.95137790856841 2925029 C=CCN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=C(C=C3)N)O 1 1.71 2 3 0 -11.075368726804 2925021 CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)N3C(=O)C4CC=CCC4C3=O 1 3.282 2 3 -9.91041448087899 2925020 COC1=CC=C(C=C1)NC(=O)C2CC(=O)OC2C3=CC=CC=C3 1 2.346 1 4 -3.59674370968192 2925018 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 3.806 1 5 -9.07032546024156 2925016 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=C(C=C4)S(=O)(=O)N5CCCCC5 1 3.401 2 5 0 -14.8549259189031 2925014 CC1CC2=C(O1)C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)OC 1 2.905 1 4 -12.4360433096676 2925009 CCN(CC)C(=O)C1CCCN(C1)C(=O)NC2=CC3=NSN=C3C=C2 1 1.998 5 2 0 -9.03557756614181 2925004 CC1=CC=CC2=NC(=O)CC(N12)(C)C(=O)O 1 0.303 2 3 0 -9.51989310288236 2925001 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N3C(=O)C4CC=CCC4C3=O 1 3.632 1 5 -8.73605115998891 2924983 CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=CC=C4F 1 4.095 1 4 -8.92404213426124 2924979 CCC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NN=NN3C4=CC=CC=C4 1 4.07 6 1 0 -15.4129064017439 2924971 CC1CCCC(N1N=CC2=CC(=CC=C2)[N+](=O)[O-])C 1 3.13 3 2 -3.35382268887599 2924962 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N3C(=O)C4CC=CCC4C3=O 1 3.632 1 5 -8.81239464947675 2924955 CS(=O)(=O)NCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] 1 1.458 3 4 0 -4.50536001246916 2924944 C1=CC=C(C(=C1)NC2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)CCO)[N+](=O)[O-])Cl 1 3.34 3 5 0 1.46027049550959 2924937 CC(C(=O)OCC(=O)C1=CC=C(C=C1)OC)N2C(=O)C3C4CCC(C4)C3C2=O 1 1.986 1 6 0 -15.1698111619514 2924934 CC1=NN(C(C1)C2=CC=CC=C2)C(=S)NC3=CC=CC=C3 1 4.145 3 0 -7.31048517163391 2924930 C1CCC(CC1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O 1 3.513 2 3 -13.0419220830274 2924921 CC1CCCC(N1N=CC2=CC=C(C=C2)Cl)C 1 3.9 2 0 1.22071772189454 2924913 C1CC2CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=C(C=C(C=C4)Cl)Cl 1 2.768 2 3 -10.7067259521758 2924903 CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)N(C)C)[N+](=O)[O-] 1 2.254 5 4 0 -15.5694179028156 2924896 CC1=C(C=CC(=C1C)Br)NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O 1 3.16 2 3 -12.9342423623547 2924875 CC1=CC=CC=C1NC(=O)C(C2CCCC2)C(=O)OC 1 3.184 1 3 -11.1656921398247 2924873 C1C2C=CC1C3C2C(=O)N(C3=O)C4=NC5=CC=CC=C5S4 1 2.312 2 2 3.89068354322149 2924867 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-] 1 2.878 2 6 0 -2.52973258449751 2924850 CC1(CN2C(N(C(=S)N2C1)C3=CC=CC=C3)C4=CC=CC=C4)C 1 5.048 3 0 -4.61831815571344 2924838 CC1=C(C(=CC=C1)C(CC(=O)N2CCCCC2)C3=CC=CC=C3)O 1 4.18 1 2 -7.59646381442454 2924837 COC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O 1 1.423 2 4 0 -12.952211721763 2924822 CC1=CC(=CC=C1)N2C(=O)C3C4CC(C3(C2=O)C)C=C4 1 2.59 1 2 1.21485149831218 2924807 C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)N 1 2.034 2 4 -6.33580800725892 2924801 CON=C(C1=NON=C1N)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 1.564 7 4 0 -4.12783977995389 2924797 CC(C1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O 1 3.616 2 3 -12.6977043207838 2924783 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N3C(=O)C4C5CCC(C5)C4C3=O)C 1 4.215 1 5 -11.7816521533448 2924730 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC(=O)NCC3CCCO3 1 2.64 2 4 -21.906914473692 2924729 CCN(CCNC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.498 4 4 0 -12.1201074360199 2924718 CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCN3CCOCC3 1 0.529 5 5 0 -15.0805973131255 2924697 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-] 1 1.905 3 4 0 -8.92506590428308 2924696 COC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)CC3=CC=CC=C3 1 2.39 2 4 -12.6674972278996 2924675 COC(=O)CN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=CC=C3)O 1 1.547 1 5 0 -12.0490417672208 2924669 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)NCC4=CC=CO4 1 -6.5e-002 2 4 0 -12.454694968871 2924668 CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=CS2 1 1.518 0 6 0 -13.8495593367828 2924651 CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2CCCCC2)[N+](=O)[O-] 1 3.395 2 6 0 -25.117931659759 2924610 CC1=CC(=NO1)N2C(=O)CC(C2=O)CC3=CC=CC=C3 1 2.079 2 3 -7.42575831103966 2924605 CCCC1=NN=C(S1)NC(=O)C(CC)OC(=O)C2=CC(=NC3=CC=CC=C32)C 1 3.656 4 3 0 -14.110151982091 2924602 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)OCC(=O)C4=CC=CC=C4 1 1.073 1 5 0 -10.0707681659236 2924596 CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=CC=C4F 1 4.345 1 4 -9.10292597204321 2924584 CCCCS(=O)CC(COCC1=CC=CC=C1)OC(=O)CSC2=NC(=CC(=N2)C)C 1 3.698 2 4 -11.3125369047427 2924548 CC1=C(C(=CC=C1)C(CC(=O)N2CCCC2)C3=CC=CC=C3)O 1 3.724 1 2 -7.24199530025646 2924545 COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O 1 1.295 2 5 0 -15.624422277991 2924537 CCC(=NO)C1=CC(=C(C=C1)OCC=C)OC 1 2.888 1 3 -8.24918686333443 2924534 C1CC(OC1)CNC(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 2.613 2 4 -21.6928024478066 2924518 C1C=CCC2C1C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Br 1 4.191 1 4 -6.42579280655253 2924515 CC1=C(C=C(C=C1)C(=O)NC(C)C2=CC=CC=C2)Br 1 4.233 1 1 -8.00215721079618 2924495 CC1=C(C(=CC=C1)C)NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O 1 2.412 2 3 -14.7587725938996 2924493 C1CC2CC1C3C2C(=O)N(C3=O)CC(=O)NCC4=CC=CO4 1 0.38 2 4 0 -16.8966613687684 2924457 CCC1=CC2=C(C=C1)NC(=O)C2(CC(=O)C3=CC=CS3)O 1 2.53 1 3 -11.2871620113051 2924453 CCC(C1=CC=CC=C1)C2=NC(=NO2)C3=CC=CC=N3 1 3.376 3 1 -2.45974443221993 2924394 CCOC1=CC=C(C=C1)OCCOCCN2C=CN=C2 1 1.756 2 3 0 -0.799630239964319 2924388 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C 1 1.536 3 6 0 -16.6850070768957 2924322 COC1=CC(=CC=C1)OCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 2.251 2 6 0 -8.85171573612941 2924317 CCC(C1=CC=CC=C1)C(=O)NC2CC(NC(C2)(C)C)(C)C 1 2.731 2 1 -15.6753374008125 2924248 CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 2.863 2 5 0 -14.2041723470331 2924139 CCC(C)C1=CC=CC=C1OCCCCN2CCCC2 1 4.706 1 1 1.94153296523674 2924115 CC1CC(CN(C1)CCOC2=CC=CC3=CC=CC=C32)C 1 4.416 1 1 -1.37096230065477 2924071 C1CCC(CC1)CCC(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N 1 3.445 3 4 0 -2.49340904119072 2924019 CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)OCCOC 1 3.492 2 5 0 -30.4392081988207 2924008 C1=CC=C(C=C1)OC(=O)ON=C(C2=CC(=CC=C2)[N+](=O)[O-])N 1 2.836 3 5 0 -2.5615647213068 2923979 CC1CCCN(C1)CCOC2=CC=C(C=C2)Br 1 3.937 1 1 2.73788370453746 2923958 CCC(C1=CC=CC=C1)C(=O)NCCCC2=CC=CC=C2 1 4.352 1 1 -11.6498504623751 2923922 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC)C(=O)OCC=C 1 2.492 2 7 0 -39.4381858242498 2923917 C1=CC(=C(C=C1OCCNCCO)Cl)Cl.Cl Cl- 1 2.205 1 2 4.30899456620322 2923891 CC1=CC(=C(C=C1)OCCCCN2C=CN=C2)[N+](=O)[O-] 1 2.578 3 3 1.83973504673069 2923851 CC1(CC(CC(N1)(C)C)NC(=O)CC2=CC=CC=C2OC)C.Cl Cl- 1 1.796 2 2 0 -15.6666669420192 2923818 C1CCC(CC1)CCC(=O)ON=C(C2=CC(=CC=C2)[N+](=O)[O-])N 1 3.445 3 4 0 -4.96702341953383 2923767 CCC1=CC(=CC=C1)OCCCCC(C(=O)OCC)C(=O)OCC 1 4.474 0 5 -5.77790752592581 2923765 CC1=C(C=CC(=C1)OCCCN2C=CN=C2)C(C)C 1 3.298 2 1 1.23166148396818 2923668 CC1=C(C(NC(=O)N1)C2CCC=CC2)C(=O)OCC=C 1 1.842 2 3 0 -23.2079555993349 2923666 CCOC(=O)C(CCOCCOC1=C(C=C(C=C1)OC)CC=C)C(=O)OCC 1 3.48 0 7 0 -10.5031434909503 2923645 CCC(C)C1=CC=CC=C1OCCOCCN2CCCC2 1 3.932 1 2 -0.948417592905721 2923644 CCC(C1=CC=CC=C1)C2=NC(=NO2)C3=CN=CC=C3 1 2.948 3 1 -3.23749023379565 2923627 COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3COC4=CC=CC=C4O3 1 2.696 2 5 0 -20.7572828680586 2923579 C1=CSC(=C1)CC(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N 1 2.269 3 4 0 -2.54104579106871 2923450 CCOC1=CC=CC=C1OCCOCCN2CC(OC(C2)C)C 1 2.596 1 4 -8.6596889030038 2923449 CC1CCCN(C1)CCCOC2=CC=C(C=C2)OC 1 3.234 1 2 2.26700375199786 2923447 CC1=CC(=C(C=C1)OCCOCCN2C=CN=C2)Br 1 2.659 2 2 1.00516952938355 2923428 CC1CN(CC(O1)C)CCCOC2=C(C=CC(=C2)C)C(C)C 1 4.137 1 2 -0.865924728045865 2923403 CC1CCN(CC1)CCOCCOC2=CC=CC=C2C3=CC=CC=C3 1 4.508 1 2 -0.734940600755625 2923386 CN1C(=CC(=O)N(C1=O)C)NC(=O)CSC2=NN=C(N2C)C34CC5CC(C3)CC(C5)C4 1 2.187 6 3 0 -17.0566225926899 2923382 COC1=CC=CC=C1CC(=O)NC23CC4CC(C2)CC(C4)C3 1 3.199 1 2 -9.34729461883201 2923381 COC(=O)NC1=CC=C(C=C1)OCC(=O)N2CCOCC2 1 0.53 2 5 0 -11.2210910775756 2923340 CCOC(=O)C(CCOCCOC1=C(C=C(C=C1)C)CC=C)C(=O)OCC 1 3.982 0 6 -9.656587112942 2923325 CCOC1=CC(=CC=C1)OCCCCN2C=CN=C2 1 2.53 2 2 2.11225409518715 2923320 CCC(C)C1=CC=C(C=C1)OCCN2CCCC2 1 4.063 1 1 3.38916621688467 2923316 CCOC1=CC=C(C=C1)OCCCCN2C=CN=C2 1 2.53 2 2 2.56960461603654 2923279 CC(C)(C)CC(=O)NC1=CC=CC2=C1CCCC2 1 4.044 1 1 -8.34750677135108 2923244 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC)C(=O)OCCOC 1 1.744 2 8 0 -37.6194053667435 2923199 COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4 1 3.276 4 4 0 -11.6417693142952 2923180 CN(C1=CC=CC=C1)C(=O)COC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3 1 3.768 2 3 -13.4888022006204 2923149 C1=CC(=CC(=C1)[N+](=O)[O-])C(=NOC(=O)CC2=CC=CS2)N 1 2.269 3 4 0 -5.1120543959366 2923130 COC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3CCCO3)OC 1 2.148 2 5 0 -17.345872306559 2923110 COC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)CNCC4CCCO4)OC 1 2.244 3 5 0 -25.4541002827545 2923095 C1=CC=C(C=C1)OC(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N 1 2.836 3 5 0 9.44388356109363e-003 2923067 CCC(C)C1=CC=C(C=C1)OCCCC(C(=O)OCC)C(=O)OCC 1 4.725 0 5 -5.25278809756903 2923062 CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.858 1 4 -12.4454420279846 2922988 CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)CNCCN4CCOCC4 1 2.077 4 4 0 -19.8570507101923 2922931 CC1=CC(=C(C=C1)OCCCN2C=CN=C2)[N+](=O)[O-] 1 1.998 3 3 0 0.361966576302555 2922930 CCOC1=C(C=CC(=C1[N+](=O)[O-])C2C(=C(NC(=O)N2)C)C(=O)OC)O 1 1.049 3 7 0 -27.4923609247164 2922917 COC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.659 4 4 0 -5.42096834916837 2922891 CCC(C)C1=CC=C(C=C1)OCCCCN2CCOCC2 1 3.932 1 2 0.524516100770578 2922879 C1=CC(=CC=C1SCCCCN2C=CN=C2)Cl 1 3.42 2 0 4.01986947110973 2922852 CC1CCCCN1C2(C3=CC(=CC(=C3NC2=O)Br)C)O 1 3.091 2 2 -2.8354617200899 2922831 CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)Cl)OC)C(=O)OC 1 1.712 2 4 0 -26.7825286074474 2922819 CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(O2)C3=CC(=C(C=C3)OC)OC 1 3.2 3 4 0 -19.3013922520413 2922811 CCOC1=CC=C(C=C1)NC(=O)C(C)OC2=CC=CC=C2C(=O)NC3=C(C(=CC=C3)Cl)Cl 1 5.38 2 4 -13.3558667783294 2922810 CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC3)NC(=O)CNCC4CCCO4 1 2.609 3 4 0 -25.2103874750087 2922808 C1=CC(=C(C=C1Br)Cl)OCCCN2C=CN=C2 1 3.03 2 1 4.28740758742926 2922801 COC1=CC2=C(C=C1)OC(CC2=O)C3=CC(=C(C=C3)OC)OC 1 3.05 0 5 -5.14614257344419 2922753 CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2OC)OC)Cl 1 4.199 1 3 -11.5963390925014 2922730 CCOC(=O)C(CCCOC1=C(C=C(C=C1)C)CC=C)C(=O)OCC 1 4.569 0 5 -7.27388963898264 2922660 CC1=CC(=C(C(=C1)Br)OCCCN2C=CN=C2)Cl 1 3.516 2 1 5.57656412832813 2922618 CC1=CC(=C(C=C1)OCCCN2C=CN=C2)Br 1 2.852 2 1 2.89663591495628 2922609 CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)OC)Cl 1 4.216 1 2 -9.3134084868869 2922575 CC1=CC(=C(C=C1)OCCCNCC=C)Br.Cl Cl- 1 3.33 1 1 -1.39268823947271 2922439 CC1=CC(=CC(=C1)OCCCN2C=CN=C2)C(C)C 1 3.298 2 1 2.84263054040711 2922418 COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 1.963 5 6 0 -23.4833876585533 2922317 CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)OCC 1 2.406 2 3 -9.07118727072057 2922313 COC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)CNCCN4CCOCC4)OC 1 1.712 4 5 0 -23.1562298587437 2922198 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=C3)OC 1 2.499 2 5 0 -24.1344791598817 2922196 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 3.925 0 6 -10.0519047061513 2922194 CC(C)N1CC(CC1=O)C(=O)NC2=CC=C(C=C2)OC 1 1.019 2 3 0 -4.88284932024629 2922186 C1CN=C2N(C1)C3=CC=CC=C3N2CC(C4=CC5=C(C=C4)OCO5)O.Cl Cl- 1 2.087 3 3 -7.78179429704145 2922173 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=N2)C 1 2.369 3 4 0 -4.87947712833408 2922170 C1OC2=C(O1)C=C(C=C2)C(CC3=CC=CC=C3)CC(=O)O 1 3.459 0 4 -3.94264582241933 2922162 CC1=CC=C(C=C1)S(=O)(=O)NN=C2C3CCC(C2=O)(C3(C)C)C 1 2.989 2 3 -7.75493212558128 2922157 C1=CC=C2C(=C1)C(=O)NC3(N2)C4=CC=CC=C4NC3=O 1 1.446 3 2 0 -7.24546121904465 2922146 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)OCCOCCNC3=NS(=O)(=O)C4=CC=CC=C43 1 1.264 3 6 0 -16.0521222089149 2922139 CCC(C(=O)OC)SC1=NC=NC2=C1C(=C(S2)C)C 1 3.539 2 2 -10.8895900733599 2922136 C1CN(CCN1C2=C(C=C(C=C2)C=C3C(=O)NC(=O)NC3=O)[N+](=O)[O-])C(=O)C4=CC=CC=C4 1 1.802 5 6 0 -10.9797639202014 2922133 COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)OC 1 2.339 2 5 0 -8.9757107800003 2922113 CC1=CC=C(C=C1)N=C(C2=NC3=CC=CC=C3S2)NN=CC4=CC=CC=C4OC 1 5.48 4 1 1.08135641393302 2922102 CC1=C(SC(=C1C#N)NC(=O)C2CC(=CCC2C(=O)O)Cl)C 1 2.347 2 3 -11.9902891875687 2922086 CC(=O)NC(C1=CC=C(C=C1)OC)C2=CC(=C3C=CC=NC3=C2O)Cl 1 3.161 2 3 -1.25068419708129 2922084 C1COCCN1CC(=O)NCCNC(=O)CN2CCOCC2 1 -2.047 4 4 0 -11.7112084137749 2922079 COCC1=CC(=O)N=C(N1)N=C(N)NC2=CC(=CC=C2)Cl 1 0.712 5 2 0 -7.3825373077582 2922067 CC1C2=CC(=C(C=C2CCN1C(=S)NC3=CC=CC=C3)OC)OC 1 5.051 2 2 -16.8422178676844 2922060 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)N3CCOCC3)C(=O)OCC4=CC=CC=C4 1 2.498 3 4 0 -31.3538023721839 2922056 CCC(=O)NC(C1=CC=C(C=C1)C)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-] 1 3.561 3 4 0 -5.32865973901689 2922048 CCCCC(=O)NC(C1=C(C=C(C=C1)Cl)Cl)C2=C(C3=C(C=CC=N3)C=C2)O 1 5.421 2 2 -5.97087156024496 2922045 CC1=C(N=CC=C1)NCC(COC2=CC=CC=C2)O 1 2.634 2 2 -2.91204500952527 2922035 CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC(=CC=C2)F 1 3.155 2 3 0.929329463610744 2922025 CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3 1 2.334 4 4 0 -9.9643604791861 2922008 CC(C)(C)C(=O)NC(=S)N(CC1=CC=CC=C1)CC2=CC=CC=C2 1 5.496 2 1 -14.5093799191976 2922007 C1CCC2=C(C1)N(C3=C([N+]2=O)C=CC(=C3)Br)[O-] 1 2.713 2 2 -2.25199427156865 2921998 C1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NCC4=CC=CO4 1 2.276 2 4 -15.3832378687492 2921994 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3 1 3.155 2 5 0 -9.57774061093135 2921983 CC1=CC=CC=C1NC(=S)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 6.34 2 2 -11.3610363980098 2921960 C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3CC(=CCC3C(=O)O)Cl 1 3.555 2 3 -18.6213350536947 2921946 C1CN(CC1C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)Cl 1 4.793 2 0 10.0290034879286 2921944 CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC(=C(C=C2)O)O 1 2.466 2 5 0 3.92364044437515 2921930 CC12CCC3C1(COC2(C3)C(=O)NC4=CC=CC=C4F)C 1 2.562 1 2 -5.72917241680762 2921928 CC(CNC(=O)C1CCCCC1)NC(=O)C2CCCCC2 1 3.196 2 2 -10.1469076456704 2921921 CC(C)N1CC(CC1=O)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.594 3 4 0 -6.35844474322846 2921918 C1OC2=C(O1)C=C(C=C2)C(CCNCC3=CC=CC=C3F)CC4=CC=CC=C4.Cl Cl- 1 5.442 1 2 0.596667221964393 2921913 CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)C(C)C)Cl 1 2.186 2 2 -4.03802725719342 2921910 COC1=CC=C(C=C1)NC(=O)C2CC(=O)OC23CCCCC3 1 2.449 1 4 -5.30126722754498 2921905 C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])NC3CC3 1 2.645 3 2 -1.43981252926581 2921904 COC1=CC=CC(=C1)C(=O)CN2C3=CC=CC=C3N4C2=NCCC4.Br Br- 1 2.485 3 2 -11.8280129716625 2921903 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC(=CC(=C3)OC)OC 1 1.306 3 6 0 -10.7207271664896 2921898 C1CC(OC1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 1.891 2 4 0 -16.617705761291 2921895 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.247 3 5 0 -16.8207637414611 2921884 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNC(C)(C)C)O)CC3=CC=CC=C3)C 1 4.269 2 4 -10.7163321218064 2921883 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)O.Cl Cl- 1 4.835 3 2 -6.73815393443663e-002 2921882 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC(=C(C=C2C)C)S(=O)(=O)NC 1 2.893 2 4 -9.52654598455099 2921876 COC1=CC2=C(C=C1)NC(=O)C23NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5 1 3.212 3 3 -6.58596348755931 2921875 CC1=CC(NC2=C1C=C(C=C2)OC(=O)C(CC3=CC=CC=C3)N4C(=O)C5CCCCC5C4=O)(C)C 1 5.262 2 4 -12.1853068600976 2921866 C1COC(C2=CC=CC=C21)CN3C(=O)C4CC=C(CC4C3=O)Cl 1 2.224 1 3 -8.56141167987662 2921864 C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3 1 3.294 3 4 0 -9.9304117252278 2921859 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)N5CCOCC5.Cl Cl- 1 5.055 4 1 2.12824533060067 2921856 CC(=NOC(=O)C1=CC=CC=C1OC)C2=CC=C(C=C2)N3C(=O)C4CCCCC4C3=O 1 3.734 2 5 0 -4.65021561668807 2921851 CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 1.468 5 7 0 -20.3382650173075 2921845 C1CC(N(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)O 1 2.353 1 4 -9.61950436886248 2921833 CCOC(=O)C1C(NC(=O)N(C1(C(F)(F)F)O)C)C2=CC=CS2 1 1.714 2 4 0 -8.88795600586667 2921828 CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.943 2 4 0 -14.9513552931578 2921826 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)O 1 0.145 2 5 0 -15.2677128777014 2921825 COC1=C(C=C(C=C1)CC2C(=O)NC(=O)N(C2=O)CC=C)OC 1 1.693 2 5 0 -15.2449222194217 2921810 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4N 1 2.434 2 1 -6.56385967835104 2921802 CCC(C)OC(=O)C(C)OC1=CC=C(C=C1)C2=CC=CC=C2 1 4.773 0 3 -4.14241241071141 2921796 C1CCC2(CC1)C(CC(=O)O2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 3.024 2 5 0 -4.14194345193544 2921793 CC(C)(C)C1=CC=C(C=C1)CNC2=NC=C(C=C2)[N+](=O)[O-] 1 3.433 3 2 -1.9896897741228 2921788 CC1(CC2CC(C1)(CN2C(=O)C34CCC(C3(C)C)(C(=O)O4)C)C)C 1 3.199 1 3 -15.9349778819924 2921783 CN1CCC(CC1)N(C)C2=NC=NC3=C2C=C(C=C3)Br.Cl Cl- 1 2.328 4 0 6.10862039780344 2921774 COC1=CC=CC(=C1)C(=O)CN2C3=CC=CC=C3N=C2NCCO.Br Br- 1 2.129 3 3 -5.31935171548899 2921773 CC1=CC=CC(=N1)C2NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4 1 4.125 3 1 -7.0373656366967 2921767 CC1C(CC(C1(C)C)C(=O)O)C(=O)C2=C(C=CC(=C2)C)OC 1 3.604 0 4 -2.08955333636459 2921752 CCC(=O)NC(C1=CC(=C(C=C1)OC)OC)C2=CC(=C3C=CC=NC3=C2O)Cl 1 3.812 2 4 -4.44509420569818 2921744 CNC1=CC=C(C=C1)SC#N.Cl Cl- 1 2.112 2 0 -1.04917109827677 2921725 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3CCCO3 1 2.217 2 5 0 -17.1896490917726 2921716 CCC(=O)NC(C1=CC=CS1)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-] 1 2.921 3 4 0 -5.52894457043377 2921709 COC(C1=CC=CC=C1)C(=O)NC2CCCCCCC2 1 3.599 1 2 -19.5165318341005 2921708 CC1=NCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.369 3 4 0 -9.90748940871845 2921707 CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.588 2 3 -19.2206012536117 2921692 CC1=CC=CC(=N1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 3.797 3 1 -9.54650778066983 2921682 C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54 1 3.596 1 5 -5.72853494433177 2921670 CC1=CC(=CC=C1)OCCNC2=NC=C(C=C2)[N+](=O)[O-] 1 2.567 3 3 -3.15882025969506 2921662 CC1(C2(CCC1(OC2=O)C(=O)NCC3=CC=CO3)C)C 1 1.716 1 4 0 -13.0722980371107 2921642 CCCCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CO3 1 2.387 2 4 -15.8864484082836 2921626 CC(=O)N(CCC(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4F 1 5.237 1 3 -1.39467487796971 2921623 CC1=CC=C(C=C1)C(=O)CC(C(=O)O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 5.008 0 4 -6.68973055874706 2921622 C1COCCN1C2=NC=NC3=C2SC(=S)N3C4=CC=CC=C4 1 3.746 4 1 -4.10054444035527 2921617 C1=CC=C(C=C1)C2C=CC(C3C2C(=O)N(C3=O)NC(=O)C4=CC=NC=C4)C5=CC=CC=C5 1 2.685 3 3 -4.08642055539745 2921613 C=CCNC(=S)NCC1COC2=CC=CC=C2O1 1 2.737 2 2 -11.0426842218222 2921604 CC(=O)NC(C1=CC=CC=C1)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-] 1 2.408 3 4 0 -7.43499914334345 2921582 CCCC(C(=O)N1CCOCC1)N2C(=O)C3C4CC(C3C2=O)C=C4 1 0.528 2 4 0 -12.9163479284132 2921581 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNC(CO)(CO)CO)O)CC3=CC=CC=C3)C 1 1.605 2 7 0 -8.74287339898537 2921571 CC1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])Cl)N 1 2.973 3 2 -0.779893648802472 2921570 CC1CCCN(C1)C(=O)C23CCC(C2(C)C)(C(=O)C3)C 1 2.446 1 2 -11.6450838635979 2921552 C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(CN(CCO)CCO)O.Cl Cl- 1 2.772 1 4 5.555028549178 2921541 CCC1(NC(=S)N(N1)C2=CC=CC(=C2C)C)C3=CC=CC=C3 1 5.557 3 0 4.3093011193107 2921524 COC1=CC=C(C=C1)CNCCC(C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4.Cl Cl- 1 4.764 1 3 -3.93179724956536 2921504 C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC3=NN=C(S3)N 1 1.336 4 2 0 -2.18007982627887 2921493 CC(=O)NC(C1=CC=CC=C1)C2=CC(=C3C=CC=NC3=C2O)Cl 1 3.178 2 2 -2.75081811991705 2921477 CCCN(CCC)C(C)C(=O)NCC1(CCCC1)C2=CC=CC=C2.Cl Cl- 1 4.647 2 1 -16.1190854962188 2921463 CC1=CC=C(C=C1)C(=O)ON=C(C)C2=CC=C(C=C2)N3C(=O)C4CCCCC4C3=O 1 4.236 2 4 -3.69290289959927 2921460 C1CC(OC1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 0.986 2 4 0 -23.6678723978765 2921452 COC1=CC(=C(C=C1)CC2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)OC 1 2.653 2 5 0 -4.63481163583515 2921451 C1CCN(CC1)CCN2C3=CC=CC=C3N(C2=N)CC(C4=CC(=CC=C4)Br)O.Cl Cl- 1 4.036 4 1 -0.946814047875475 2921434 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 2.617 1 5 -4.05965264277769 2921433 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C(=C(C=C3)OC)OC)OC 1 2.977 2 6 0 -17.4891236984679 2921424 C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)O.Cl Cl- 1 4.349 3 2 -0.541897955659567 2921404 CC(C)C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC(=O)C 1 3.707 2 2 -1.98458862435333 2921395 COC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.482 2 6 0 -23.5638576153368 2921388 C1COC(C2=CC=CC=C21)CNC(=O)C3CC(=CCC3C(=O)O)Cl 1 2.029 1 4 -13.2579793242468 2921378 C1CN(CCN1C=O)C2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 0.551 3 5 0 -7.81053807071126 2921371 CC1=NC(=NC=C1)SC2CC(=O)N(C2=O)C3=C(C=C(C=C3)[N+](=O)[O-])OC 1 1.97 4 5 0 -6.09127833598707 2921335 C1CCN(C1)C(=S)NC(=O)C2=CC=CC=C2Cl 1 3.573 2 1 -11.5565883635266 2921289 CC1=CC=CC=C1NS(=O)(=O)CCCCC(Cl)(Cl)Cl 1 3.857 1 2 -6.19120699106571 2921321 CC1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.335 2 3 -16.6490614898952 2921316 COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3 1 1.555 3 3 0 -12.1320142722813 2921314 CC1(CC1(Cl)Cl)C(=O)NC2=CC(=CC=C2)N(C)C 1 2.524 2 1 -5.32135522017684 2921296 CC1CCCCN1C(=O)C23CCC(C2(C)C)(C(=O)C3)C 1 2.504 1 2 -10.964874128054 2921295 CC1=CC=C(C=C1)N2C(=S)NC(N2)(C)C3=CC=CS3 1 4.371 3 0 2.32900457617675 2921256 C1CC(N(C1)S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(=O)NC4=NC=C(C=C4)Cl 1 3.141 3 3 -7.32775932438178 2921253 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3C(=CC(=N3)C)C 1 3.3 2 3 -10.5771412263781 2921244 COC1=C(C=CC(=C1Cl)Cl)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 4.094 2 3 -6.94091127523803 2921242 COC1=CC=CC(=C1)N2C3CS(=O)(=O)CC3N(C2=O)C4=CC=CC=C4 1 2.21 2 4 -10.3794025616353 2921226 CC1(CC2=C(CO1)SC(=C2C#N)NC(=O)C3CC(=CCC3C(=O)O)Cl)C 1 2.255 2 4 -23.3403956071856 2921219 C1C2CC3(CC1CC(C2)(C3)C(=O)NC4=CC=CC=N4)C(=O)NC5=CC=CC=N5 1 2.787 4 2 -2.39769923190631 2921215 CCCC(=O)NC(C1=C(C=C(C=C1)Cl)Cl)C2=C(C3=C(C=CC=N3)C=C2)O 1 4.965 2 2 -7.3924581147303 2921208 CCOC1=C(C=CC(=C1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)OCC)O 1 3.04 2 5 0 0.989807388145428 2921195 CC1(CC(CCO1)(CCNCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4)C.Cl Cl- 1 4.22 1 3 -0.886260312648615 2921187 CCCC(=O)NC(C1=CC=CS1)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-] 1 3.378 3 4 0 -13.085300481691 2921175 CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.9 2 6 0 -3.77253800510297 2921163 CC1=C(C(NC(=O)N1)C2=CC=CC=C2OC(F)F)C(=O)OCC3=CC=CC=C3 1 3.453 2 4 -30.1224557873952 2921161 C1CC(CC=C1)C=NNC2=NC(=O)C(S2)CC(=O)O 1 1.726 3 3 0 -11.0252076461276 2921149 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CCCO3 1 1.472 2 4 0 -22.7718627586403 2921134 CN1C(=NNC1=S)C23CC4CC(C2)CC(C4)C3 1 2.993 3 0 -1.02964339177522 2921112 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.977 2 6 0 -20.2096719097571 2921073 C1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NC4CC4 1 2.001 2 3 -12.5661476291839 2921040 CC1CCOC2(O1)C3=CC=CC=C3NC2=O 1 0.959 1 3 0 -8.47849271417973 2921036 CC1=CC(=C(O1)C)C(=O)NC(CCSC)C(=O)O 1 0.725 1 4 0 -20.1975597560383 2921033 C1CC(OC1)CNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 1.947 2 3 0 -11.824960613439 2921028 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 2.932 3 4 0 -15.1756979334764 2921022 CCCC(=O)NC(C1=CC=CO1)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-] 1 2.819 3 5 0 -15.8005600613056 2921018 CC(=O)NC(C1=CC=CC=C1OC)C2=CC(=C3C=CC=NC3=C2O)Cl 1 3.161 2 3 -4.49413293222537 2921011 COCCNC(=S)NC12CC3CC(C1)CC(C3)C2 1 2.669 2 1 -12.2573138702591 2921010 CC1=C(C(C2=C(N1)N(C(=O)N(C2=O)C)C)C3=CN=CC=C3)C(=O)OC 1 0.18 4 4 0 -27.6827253830122 2921000 C1CCN(CC1)CC2=C(C=CO2)C(=O)O.Cl Cl- 1 -1.403 1 3 0 -1.56906342795836 2920990 CC1=C(C(NC(=S)N1)C2=C(C=C3CCCCC3=C2)OC)C(=O)NC 1 3.202 3 2 -29.8577745886219 2920982 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=C(C=C4)Br 1 5.411 2 2 -0.447515684587402 2920970 C1=CC=C(C=C1)OCCNC2=CC=CC=C2[N+](=O)[O-] 1 3.165 2 3 -3.51564620610992 2920969 CC1=CC(=CO1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.017 3 4 0 -3.115619308755 2920967 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2C)S(=O)(=O)NC(C)(C)C)C 1 3.824 2 4 -11.6826190616368 2920966 C1CC2CC(CC(C1)C2=O)C(=O)NC3=CC=C(C=C3)Cl 1 3.327 1 2 1.78946121282291 2920952 CCCCC(=O)NC(C1=CC=C(C=C1)N(CC)CC)C2=C(C3=C(C=CC=N3)C=C2)O 1 4.952 3 2 -12.9270243892842 2920948 CCN(CC)C(C)C(=O)NCC1(CCOCC1)C2=CC=CC=C2.Cl Cl- 1 2.286 2 2 -18.4733335303529 2920940 COCCNC(=S)NC(=O)CC12CC3CC(C1)CC(C3)C2 1 2.706 2 2 -13.2038789043491 2920939 CC(=O)N(C)C1=CC=C(C=C1)OCC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O 1 5.305 2 3 4.05322998679758 2920929 CCOC(=O)C1=CC=C(C=C1)NC(=O)C23CCC(C2(C)C)(C(=O)O3)C 1 2.732 1 5 -13.5940567623944 2920918 CC1CCC2=C(C1)C(=C(S2)NC(=O)C3CC(=CCC3C(=O)O)Cl)C#N 1 3.35 2 3 -18.5781136111336 2920903 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)OC 1 2.458 2 5 0 -24.8799384382643 2920902 COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)OC 1 2.466 2 7 0 -24.8289233121756 2920901 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=C(C=C3)OCC 1 2.573 2 6 0 -19.4231459050984 2920900 CC1(C2(CCC1(OC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4)C)C 1 2.314 1 5 -13.5735205726677 2920893 CC1=CC(=NC=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C 1 2.572 3 4 0 -5.09408512525108 2920892 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CCCO3)OC 1 0.953 2 6 0 -27.1950758137398 2920890 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C(=O)N 1 1.175 4 5 0 -6.88278584359904 2920883 CN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CN=CC=C3)O 1 0.689 2 3 0 -6.36922008605522 2920855 CC1=CC(=C(C=C1N(C)S(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)C 1 4.194 2 4 -11.7850027629475 2920850 CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O 1 3.801 2 4 -15.659770156484 2920847 CC(=NO)C1=CC=C(C=C1)N2C(=O)C3CC=C(CC3C2=O)Cl 1 2.052 2 3 -2.00308244004947 2920844 CCOC1=C(C=CC(=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CC=C3)OC 1 3.177 2 5 0 -0.565645778009414 2920836 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)Cl 1 3.658 2 2 -9.4110333779102 2920822 C1CC(OC1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 1.734 2 4 0 -22.4065238131549 2920816 COC1=CC=C(C=C1)NC2=CC(N(C2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)F 1 4.398 2 3 -3.20094691007763 2920814 CC(C)C(=O)NC(C1=C(C=C(C=C1)Cl)Cl)C2=C(C3=C(C=CC=N3)C=C2)O 1 4.972 2 2 -2.74525677705176 2920810 C1CC(OC1)CNC2=C(N=C(O2)C3=CC=C(C=C3)Cl)C#N 1 2.916 3 2 -1.51941439121499 2920802 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.706 3 5 0 -15.7106420763395 2920800 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.042 3 5 0 -18.4286504061625 2920795 CC1=CC=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1 3.286 0 3 -11.6046511793719 2920789 COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)OC 1 3.001 2 4 -13.4707516574361 2920787 CC(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)OC3=C(C=C(C=C3)Cl)Cl 1 4.966 3 4 0 -20.9562412187551 2920771 COC1=CC=C(C=C1)C(C2=C(C=CC3=CC=CC=C32)O)NC(=O)C4CCCCC4 1 5.345 1 3 -2.60758502808986 2920765 CC1=C(C(C2=C(N1)N(C(=O)N(C2=O)C)C)C3=CC=C(C=C3)Cl)C(=O)OC 1 1.995 3 4 0 -26.0673542927901 2920750 CC(C)N(C(C)C)C(=O)C1CC(=O)OC12CCCCC2 1 2.547 1 3 -7.58134889791909 2920743 CC1=CC2=CC(=C(N=C2C=C1)N3CCOCC3)C=O 1 2.65 2 2 2.37585863555136 2920736 COC1=CC=C(C=C1)C2OC(=O)C3=CC=CC=C3S2 1 3.812 0 3 -0.776888362599136 2920725 C=CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2 1 1.244 2 3 0 -22.1743885376708 2920716 CC1=NCCN1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 0.704 3 4 0 -12.7886226476832 2920713 CCOC(=O)CC1=CC(=O)N=C(N1)N=C(N)NC2=C(C=C(C=C2)C)C 1 1.455 5 3 0 -16.5031934007979 2920708 C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=CC=C5 1 3.314 2 4 -16.7241927927326 2920691 CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)C(=O)OC)C3=C(NNC3=O)C 1 -0.336 4 4 0 -11.1384486185101 2920683 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O 1 3.836 1 7 0 -12.3448121031331 2920681 C1CSC(=O)C1NC(=S)NC(=O)C2=CC=CC=C2Cl 1 2.857 2 2 -14.7572943259701 2920668 CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F 1 5.202 1 6 0 -14.0930865969509 2920663 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC(=C(C=C2C)C)S(=O)(=O)N3CCOCC3 1 2.786 2 5 0 -15.7534807693178 2920647 CC(C1=CC=CC=C1)NC(=O)CSC2=NC=NC3=C2NC=N3 1 1.864 5 1 0 -15.6451615951659 2920642 CN1CCN(CC1)C2=NC(=NC(=N2)NC3=C(C=C(C=C3)OC)OC)NC4=C(C=C(C=C4)OC)OC 1 2.768 7 4 0 -0.572714805518169 2920632 CC12CCC3C1(COC2(C3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C 1 2.251 2 4 -7.09196467298647 2920631 CC1=C(C(=O)NN1)C(C2=C(C=CC(=C2)Br)O)C3=C(NNC3=O)C 1 0.315 4 3 0 -0.718250849900569 2920624 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCCN3CCOCC3 1 0.182 3 4 0 -15.6722240573814 2920621 CC1(CC(CC(N1)(C)C)NC(=O)C23CCC(C2(C)C)(C(=O)C3=O)C)C 1 1.585 2 3 0 -12.3474408774466 2920590 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.165 2 5 0 -16.7296988924174 2920588 CC1CN(CC(O1)C)C(=S)NC(=O)C2=CC=CO2 1 2.285 2 3 -14.0757982162958 2920545 CC(C)CN(CC(C)C)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCCC2 1 4.76 3 4 0 -6.53497830263696 2920584 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C(=CC(=N3)C)C)O)CC4=CC=CC=C4)C 1 4.462 3 4 0 -11.7640042489316 2920571 CCC(=O)NC(C1=CC=CO1)C2=CC(=C3C=CC=NC3=C2O)Cl 1 3.133 2 3 -3.56002312662198 2920564 CC1=C(SC=C1C(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3 1 4.467 2 3 -2.26368877179521 2920563 C1=CC=C(C=C1)C2C3=C(N=CNC3=O)OC4=C2C(=O)NC=N4 1 0.79 4 3 0 -8.29317746329568 2920561 CN(C)C1=NC(=NC(=N1)OC2=NN=C(C=C2)OCCOC3=CC=CC=C3)N(C)C 1 3.229 7 3 0 -5.29632732003651 2920559 COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC 1 3.163 2 5 0 -21.485533446929 2920534 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)N)[N+](=O)[O-] 1 1.155 5 4 0 -15.4397680317062 2920519 CC(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)OC3=CC=CC=C3 1 3.638 3 4 0 -22.6054188210846 2920518 C1CCN(CC1)CC(=O)NCCNC(=O)CN2CCCCC2 1 0.412 4 2 0 -9.31260220286279 2920510 CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=C(C=C3)OC 1 3.251 3 3 -23.4594959801262 2920504 CC1(CC(CC(N1)(C)C)NC(=O)C23CCC(C2(C)C)(C(=O)C3)C)C 1 1.743 2 2 0 -18.2370748905507 2920484 C1=CC=C(C=C1)C(=O)CC(C(=O)O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 4.521 0 4 -7.77840958830464 2920480 CC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=C4C=CC=C5C4=C(CC5)C=C3 1 3.881 2 2 -1.53228359578857 2920462 CC1=C(C=CC(=C1C)[N+](=O)[O-])NC2=CC(=O)CC(C2)(C)C 1 3.57 2 3 -14.2372846141356 2920461 CC1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C 1 3.563 2 1 -10.0886583942854 2920454 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 2.959 2 5 0 -7.72827458895652 2920453 CC(=O)NC1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4CCCCC4 1 3.633 3 2 -11.2935177842442 2920448 CC(=O)NC(C1=CC=CC=C1OC)C2=C(C=CC3=C2C=C(C=C3)O)O 1 2.977 1 4 -4.06748408927389 2920441 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)SC3=NC=CC(=N3)C 1 2.578 3 2 -0.428315720609677 2920427 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)C4=CC=C(C=C4)Cl 1 4.504 4 2 6.38792480333975 2920403 CC(=O)NC(C1=CC=C(C=C1)Cl)C2=C(C=CC3=C2C=C(C=C3)O)O 1 3.658 1 3 0.416478140450044 2920402 CC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC(=O)C 1 3.664 2 2 -0.837717987937147 2920401 CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3 1 0.648 4 5 0 -9.51627136097397 2920380 CN(C)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCCC2 1 2.376 3 4 0 -5.2908882442448 2920370 CCCN(CCC)C(=O)C1CC(=O)OC12CCCCC2 1 2.839 1 3 -9.11829559202591 2920363 C1=CC2=C(C=C1O)OC3(C(=C2)C(=O)NC(=O)N3)O 1 0.956 2 5 0 -2.36006418969702 2920351 COC1=CC=CC(=C1)C(=O)CN2C3=CC=CC=C3N=C2NCCCO.Br Br- 1 2.191 3 3 -4.8418264217363 2920344 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(=O)OC 1 1.725 2 5 0 -11.2785876292817 2920336 C1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NCCC4=CC=CC=C4F 1 3.621 2 3 -15.4046073245865 2920318 CC(=O)NC(C1=CC(=C(C=C1)OC)OC)C2=CC(=C3C=CC=NC3=C2O)Cl 1 3.145 2 4 -4.63833347804484 2920316 CC1=C(C=C(C=C1)C(=O)COC(=O)CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-] 1 3.911 2 6 0 -22.6710049191235 2920315 CCC(=O)N(CCC(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4F 1 5.904 1 3 -4.05099903917502 2920303 CC(=O)NC(C1=CC=CS1)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-] 1 2.254 3 4 0 -5.72218384278043 2920298 CC1=CC(=CC=C1)NC(=O)C2CC(=O)OC23CCCCC3 1 2.951 1 3 -3.00065546507171 2920287 CC1=C(C(C2=C(N1)N(C(=O)N(C2=O)C)C)C3=CC(=CC=C3)O)C(=O)OC 1 1.088 3 5 0 -27.8011824993499 2920273 CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CCCC2)C3=CC=CC=C3.Cl Cl- 1 4.761 2 3 -11.1986716290943 2920239 CCC(C)NC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2 1 2.174 2 2 -13.0052520251413 2920226 CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CCCCC3 1 2.969 2 3 -16.7410662592555 2920221 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)CSC3=CC=C(C=C3)Cl 1 4.49 3 3 -0.838290819235971 2920215 CC1=CC(=NC=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC 1 1.744 3 3 0 -4.01962750402443 2920213 CC1=C(C=CC(=C1Cl)S(=O)(=O)NCCN2CCOCC2)Cl 1 2.382 2 3 -5.40875984925399 2920207 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 1.528 3 5 0 -17.5326407669264 2920169 CC1=C(SC2=C1C(=O)N(C(=N2)OCC=C)C3=CC=CC=C3)C 1 4.29 2 2 -12.3868151968425 2920163 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3C 1 2.559 3 5 0 -12.1384748096434 2920161 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C(C)(C)C 1 3.638 3 4 0 -9.12847951735134 2920147 CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC=CO3 1 1.905 2 5 0 -19.2485193912135 2920123 C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3 1 2.814 4 2 -5.0660510977437 2920117 C1C2CC3CC1CC(C2)(C3)C4=NN5C(=O)CC(SC5=N4)C6=CC=C(C=C6)F 1 4.926 3 1 2.57780626860907 2920116 CC1=C(C2=C(O1)C=CC(=C2)OC(C3=CC=CC=C3)C(=O)O)C(=O)O 1 3.092 0 6 -11.1647680819294 2920105 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Br 1 3.453 2 4 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4 -9.02229067217148 2918604 CC1=CC2=C(C=C1C)NC(=O)C(N2)CC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC 1 2.711 3 4 0 -23.3181024729876 2918603 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)OC)CCN4CCOCC4)O 1 1.736 2 6 0 -17.4001814353806 2918590 COC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=O)(CCC3=CC=NC=C3)CCC4=CC=NC=C4 1 3.186 4 4 0 -1.5359291040221 2918584 CC1=C(C(NC(=S)N1C)C2=CC=CC=C2)C(=O)OC 1 2.888 2 2 -17.2492298049703 2918581 CC(C(=O)NC1=NCCS1)NC(=O)COC2=CC=CC=C2 1 1.481 3 3 0 -17.5024707572876 2918564 CNC(=S)N1CCC2=CC=CC=C2C1 1 2.851 2 0 -11.302474560533 2918555 C1=CN=C(N=C1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=CS4 1 1.946 3 4 0 -15.1254843597578 2918552 CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)C2CCCCC2.Cl Cl- 1 2.828 3 4 0 -12.3001797683325 2918542 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=CC=CC=C3 1 2.196 1 5 -13.1268113762713 2918540 C1CN(CC2=CC=CC=C21)CC(COC3=C(C=C(C=C3)Cl)Cl)O.Cl Cl- 1 4.428 1 2 -6.4522119897145 2918528 CC1=CC(=C(C=C1)NC(=NC2=NC(=O)C=C(N2)COC)N)C 1 1.666 5 2 0 -12.0848638178122 2918520 C1=CC(=CC=C1CCN2C(=O)C(C(=O)NC2=O)(CCC3=CC=NC=C3)CCC4=CC=NC=C4)F 1 3.736 4 3 0 -0.867406829188426 2918507 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C=C3)O)[N+](=O)[O-])C4=C(NN(C4=O)C5=CC=CC=C5)C 1 3.026 5 5 0 -3.47307749999184 2918505 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=C(C=CC(=C3)OC)OC)C4=NC(=C(S4)C(=O)OC)C)O 1 2.896 2 8 0 -18.9191469754437 2918495 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=C(C(=CC=C3)OC)OC)CCN4CCOCC4)O 1 1.72 2 7 0 -21.7946897754211 2918494 C1CC2=C(C(NC(=O)N2)C3=CC=CC=C3Cl)C(=O)C1 1 1.967 2 2 0 -24.2834411887646 2918492 CC1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-] 1 4.34 3 6 0 3.33411654908754 2918440 CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC 1 2.656 3 5 0 -10.6440216327612 2918437 COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=NN3)OC 1 1.336 4 4 0 -5.23215309944362 2918433 CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=C(O3)C)C4=CC(=C(C=C4)OC)OC)C 1 3.245 2 8 0 -26.3021122400823 2918416 C1CC(OC1)CNC(=S)NCCC2=CC=CC=C2 1 2.921 2 1 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CC1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=C(C=C3)OC 1 3.331 2 4 6.38551480299332 2918292 CC1=CC(=CC(=C1)NC(=S)NCC2CCCO2)C 1 3.843 2 1 -12.2264854240047 2918269 CC(C1=CC=C(C=C1)Cl)NC(=O)C2CCC2 1 3.213 1 1 -2.17149380351747 2918257 C1CCC(CC1)NC(=S)NCCCN2C=CN=C2 1 2.32 4 0 -8.92113111132289 2918172 CN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC4=C(C=C3)OCO4)O 1 1.608 1 5 0 -6.49024378806684 2918131 COC1=CC=C(C=C1)C(=O)COC2=CC=CC=C2N3C(=O)C4C5CC(C4C3=O)C=C5 1 2.91 1 5 -4.24433431408324 2918116 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=CO3)C4=NC(=C(S4)C(=O)OC)C)O 1 2.218 2 7 0 -20.0768358269382 2918096 CC1CC(CN(C1)CC(COC2=CC3=C(CCC3)C=C2)O)C.Cl Cl- 1 4.054 1 2 -7.70300299035472 2918026 COC1=CC(=C(C=C1)NC(=S)NCC(C2=CC=CC=C2)O)OC 1 3.552 2 3 -9.84140400274087 2918019 CC1(CC2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)O)C(=O)C1)C 1 3.279 1 3 -18.9592621200141 2918013 C1CN(CCN1CCNC(=O)C(=O)NCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Br 1 2.079 4 3 0 -12.3825385106139 2918010 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4 0 -2.12889027545097 2917862 CC1=CC(=C2C(=O)CC(OC2=C1)(C(F)F)O)C 1 2.611 0 3 -3.70434141833923 2917861 COC1=CC=C(C=C1)CNC(=S)NC2=C(C=CC(=C2)OC)OC 1 4.046 2 3 -9.1934788459796 2917858 CC1=C(C=CC=C1Cl)NC(=S)NCC(C2=CC=CC=C2)O 1 4.735 2 1 -4.11418090995102 2917851 CCOC1=C(C=CC(=C1)C(=S)N2CCCC2)OCC3=CC=CC=C3 1 5.028 1 2 -9.78047042687814 2917847 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=C(C(=CC=C3)OC)OC)CCCN4C=CN=C4)O 1 1.697 3 6 0 -15.606052215255 2917831 CC1=CC(=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)Cl)C 1 6.053 2 0 -7.38002357521683 2917824 CC1=C(C(=CC=C1)NC(=S)NC2CCCCCC2)C 1 5.799 2 0 -5.40962353143522 2917822 C1=CC=C(C=C1)C(=O)C2=NN=C(O2)C3=CC=CC=C3F 1 3.145 2 2 -2.08868971107082 2917805 CCNC(=S)NCC1=CC=C(C=C1)Cl 1 3.254 2 0 -5.52809123947544 2917801 CC1=C(C(NC(=O)N1)C2CCC=CC2)C(=O)OC 1 1.225 2 3 0 -18.6719813810229 2917799 CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CS4 1 3.104 2 4 -18.7329693180197 2917792 CC(C)CCNC(=S)NC1=CC=C(C=C1)F 1 4.298 2 0 -11.3799669135715 2917766 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CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C4=CC=CC=C4OC 1 4.094 3 4 0 -11.5514505152066 2915389 CC(CC(=O)N1CCN(CC1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.616 2 1 -3.37028942063727 2915385 CCOC1=CC=C(C=C1)N(C(C)C(=O)N2CCOCC2)S(=O)(=O)C 1 0.717 2 5 0 -11.5244499177769 2915382 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CCNC(=O)C(=O)NC3=CC=C(C=C3)F 1 2.93 4 3 0 -9.31851859737713 2915380 CC1CCCN(C1)C(=O)CC2=CC=C(C=C2)F 1 2.72 1 1 -7.86129044954635 2915369 CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC=CN2C 1 2.426 4 3 0 -14.7658471139682 2915349 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC 1 3.385 3 5 0 -10.8198427386206 2915307 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC3=CC=CC=C3 1 1.738 2 5 0 -24.388900107056 2915284 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CCCC2)O)C3=C(C=CC(=C3)[N+](=O)[O-])OC 1 2.976 3 6 0 -11.0035559679521 2915336 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC 1 1.067 2 4 0 -10.0954225636324 2915330 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.181 2 6 0 -20.3017741332421 2915329 C1CCCC(CC1)NC(=O)CSC2=CC=CC=C2 1 3.746 1 1 -9.14052330902203 2915239 CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4CCCCC4C3=O)C 1 4.213 2 3 -7.89099713125784 2915253 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(C)CCC3=CC=CC=C3 1 4.322 2 2 -10.6763189814414 2915274 CC(CC(=O)NCC1=CC=C(C=C1)Cl)C2=CC=CC=C2 1 4.028 1 1 -7.58067743615599 2915266 CCNC1=NC(=NC(=N1)OC2=NN=C(C=C2)OCC)NCC 1 2.231 7 2 0 -6.53106758412373 2915228 COC1=CC=C(C=C1)NC(=O)C2CCC(CC2)N3C(=O)C4CCCCC4C3=O 1 3.06 2 4 -8.16122906029525 2915222 CC(CCC1=CC=CC=C1)NC(=O)N2CCOCC2 1 2.001 2 2 -10.2591758883799 2915215 CC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC=C(O3)Br)C4=CC=CS4 1 4.819 2 2 -6.23389929563409 2915210 C1C(=O)N(C(=O)S1)CC(COC2=CC=C(C=C2)Cl)O 1 2.037 1 4 -10.022488573144 2915203 CC(C(=O)OC(C)C(=O)C1=CC=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5 1 2.173 1 5 -13.3391876196748 2915198 CCCCC(CC)CNC(=O)C1=CC=CS1 1 4.008 1 1 -10.3880570317312 2915195 CC1(CC2=C(C=C(C(=O)N2C3=CC=C(C=C3)Cl)C(=O)NC4CCSC4=O)C(=O)C1)C 1 2.598 2 4 -22.2076837974323 2915193 C1CCC2C(C1)C(=O)N(C2=O)C3CCC(CC3)C(=O)NC4=CC=C(C=C4)CC5=CC=NC=C5 1 3.901 3 3 -8.56781635079728 2915175 C1CCN(C1)CC(COC2=CC(=CC=C2)OCC(CN3CCCC3)O)O 1 1.975 2 4 0 -3.57149611730901 2915173 CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)Cl)N3CCN(CC3)C.Cl Cl- 1 3.49 3 2 2.09076079399427 2915170 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC(C)C3=CC=CC=C3 1 2.87 4 3 0 -14.1069871357975 2915169 C1C2C=CC1C3C2C(=O)N(C3=O)N=CC4=CN(C5=CC=CC=C54)CC6=CC=C(C=C6)F 1 4.044 3 2 0.480028454509388 2915167 CN1C2=CC=CC=C2N=C1CSC3=NN=C(S3)SCC4=CC=CC=C4 1 5.01 4 0 -5.5685848034134 2915143 CCCN(CCC)CC(CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C)O 1 4.382 2 3 -7.18954070157885 2915135 CCN(CC)C(=O)CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] 1 2.438 3 3 -6.70126512376536 2915126 CCOC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.359 4 5 0 -25.9601563957128 2915114 COC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)C3=CC(=CC=C3)Br 1 2.056 4 4 0 -12.2517039301002 2915112 CC(CC(=O)NC1=CC=NC=C1)C2=CC=CC=C2 1 2.206 2 1 -5.64221599865516 2915100 CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)OC(=O)C(CC(C)C)NC(=O)C2=CC=CC=C2 1 3.88 3 6 0 -24.9492733657579 2915098 CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4 1 3.103 4 4 0 -3.7575069904432 2915094 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2)OC3=CC=CC=C3 1 2.419 3 4 0 -14.1495092940977 2915081 CC(C(=O)NC1=CC=CC=C1Cl)N(C2=CC=CC=C2)S(=O)(=O)C 1 2.731 2 3 -7.9694496342547 2915072 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC2=CC=C(C=C2)F 1 2.733 2 4 -9.70377425758939 2915068 C1CC(C2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4)C(=O)N 1 4.274 2 1 -3.33597691521942 2915066 C1CS(=O)(=O)CC1NC(=O)CSC2=CC=CC=C2[N+](=O)[O-] 1 0.833 2 5 0 -20.7844982150317 2915063 CCC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CC=C3)OC 1 4.32 2 4 -16.4536217916563 2915062 CCOC1=CC=C(C=C1)N(CC(=O)NCCOC2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3 1 3.531 2 6 0 -21.5723110966512 2915061 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=CC(=CC=C4)F 1 2.823 4 4 0 -3.11082475141184 2915051 CC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.34 4 3 0 -17.9372566286872 2915046 CCC(C(=O)NC1=NN=C(S1)C)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N 1 2.42 6 2 0 -20.5798869418612 2915045 C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.[Br-] Br- 1 4.655 5 2 0 -1.19371870177824 2915028 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C)OC 1 1.414 4 6 0 -17.2732572043389 2915017 CCOC(=O)C1=C2C(=C(S1)C)C(=O)NC(N2)(C)C3=CC=CC=C3 1 2.69 2 3 -7.28572561182967 2915013 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC2=CC=C(C=C2)F 1 3.235 2 3 -8.38854056363764 2914982 CCCCN1C2=CC=CC=C2N(C1=N)CCOC3=CC=C(C=C3)C.Br Br- 1 4.606 3 1 -0.27867829032003 2914978 C1CN(CC2=CC=CC=C21)C(=O)CCCOC3=CC=CC=C3 1 3.306 1 2 -11.4620537949865 2914976 CC(C1=CC=CC=C1)NC(=O)CC2=CC=C(C=C2)F 1 3.239 1 1 -8.64753930858051 2914962 COC1=CC2=C(C=C1)C(CCC2=O)C3=CC=CC=C3 1 3.619 0 2 -2.22133795150573 2914941 COC1=CC=C(C=C1)NC(=O)C2CCC(CC2)N3C(=O)C4C5CC(C4C3=O)C=C5 1 2.292 2 4 -4.86821686228833 2914939 CCC1CCCCN1C(=O)CCCOC2=CC=CC=C2 1 3.467 1 2 -12.553070873352 2914937 C1OC2=C(O1)C=C(C=C2)C(=O)CC3(C4=CC=CC=C4NC3=O)O 1 1.402 1 5 0 -11.5741202761036 2914927 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CSC2=CC=CC=C2 1 2.806 2 4 -19.5423622143755 2914925 CCOC(=O)C1CCN(CC1)C(=O)CC(C)C2=CC=CC=C2 1 2.663 1 3 -10.2608735466072 2914924 CC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CS4)C5=CC=CC=C5 1 5.666 4 3 0 -4.23717951067203 2914913 CC(C(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC)OC2=CC=CC=C2 1 2.531 1 6 0 -14.7737091978146 2914908 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NS(=O)(=O)CC2=CC=CC=C2 1 2.122 2 5 0 -16.5426077395665 2914900 CCC(C(=O)NC1=NOC(=C1)C)SC2=NC(=O)C=C(N2)N 1 1.017 5 3 0 -24.8639173392288 2914899 CC1=CC(=CC=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NCCO 1 2.029 2 3 5.14057803835223 2914888 CS(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC=CC=C2F)C3=C(C=CC(=C3)C(F)(F)F)Cl 1 3.654 3 3 -4.5283320516052 2914881 C1CCC(CC1)NC(=O)C2CC=CCC2C(=O)OCC(=C(Cl)Cl)Cl 1 4.05 1 3 -5.80221331981473 2914878 CC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)C3=CC=CC=C3 1 2.587 4 3 0 -12.3089040268729 2914875 C1CCC(C1)C(C#CCN(CCO)CCO)(C2=CC=CC=C2)O.Cl Cl- 1 2.493 1 3 -0.331606330659889 2914864 CC1=CC=C(C=C1)OCC(CNC(=O)C2=CC=CC=C2C(=O)O)O 1 2.275 1 5 -9.16992635145553 2914863 COC1=CC=CC(=C1)NC(=O)C(=O)NCCCN2C=CN=C2 1 9.2e-002 4 3 0 -9.09101378437213 2914857 CCCCOCCCNC(=O)CCCOC1=CC=CC=C1 1 2.703 1 3 -16.0922007576512 2914856 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=CC=C(C=C4)F 1 2.823 4 4 0 -3.41156467148921 2914850 CCOC1=CC=CC=C1C(=O)NC(C)CCC2=CC=CC=C2 1 4.108 1 2 -10.3953765097953 2914849 CC(CC(=O)NCC1=CC=CC=C1OC)C2=CC=CC=C2 1 3.348 1 2 -12.0983131639653 2914846 C1CC(OC1)CNC(=O)CCCOC2=CC=C(C=C2)Cl 1 2.466 1 3 -14.5562492224532 2914829 CC(CCC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)F 1 3.982 1 1 -8.0952784364997 2914824 CC1=NN=C(S1)NC(=O)CC(C)C2=CC=CC=C2 1 2.092 3 1 -12.2542162823357 2914790 CCOC1=CC=C(C=C1)N(C(C)C(=O)N2CCCC2)S(=O)(=O)C 1 1.49 2 4 0 -9.60168495383327 2914787 CC(CCC1=CC=CC=C1)NC(=O)CC2=CC=CS2 1 3.764 1 1 -11.9642140277782 2914786 COC1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 4.643 0 4 -9.30893081605194 2914785 C1C(N(N=C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4F 1 4.324 2 2 -9.92683819898842 2914763 C1CC(N(C1)C(=O)C(CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)C(=O)O 1 2.189 2 6 0 -15.5099380517021 2914759 CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)N 1 3.038 4 2 -21.0253637824922 2914757 CCC1CCCCN1C(=O)CCCC2=CC=CC=C2 1 4.009 1 1 -12.1128917802148 2914750 CC(CC(=O)NC1CCSC1=O)C2=CC=CC=C2 1 2.062 1 2 -14.2945828541267 2914743 CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 2.116 2 3 -14.7876564328637 2914741 CCCCN(CCCC)CC(COC1=CC=CC=C1Br)O.Cl Cl- 1 4.847 1 2 -4.08720751633495 2914718 COCCNC1=NC2=CC=CC=C2N1CC(=O)C3=CC(=C(C=C3)OC)OC.Br Br- 1 2.521 3 4 0 -13.3250216218403 2914707 CCCCC1=C2CCCCC2=C(C(=N1)NCCO)C#N 1 3.269 3 1 -3.10548755514605 2914683 CC(C)CC(C(=O)OC)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] 1 2.355 2 5 0 -18.360062818824 2914673 CC(C)(C)C1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 5.028 4 1 -8.468900865291 2914657 CCC(C(=O)NC1=NOC(=C1)C)SC2=NN=CN2C 1 1.266 5 2 0 -25.4729334821781 2914655 CC(CC(=O)NC1=CC(=CC=C1)Cl)C2=CC=CC=C2 1 4.021 1 1 -2.57345062213424 2914650 CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Br)[N+](=O)[O-])C 1 4.17 5 3 0 -6.67677568542146 2914648 C1CCN(CC1)CC(COC2=C(C=C(C=C2Cl)Cl)Cl)O 1 4.351 1 2 -0.745181874610754 2914644 CC(C)(C)NC(=O)C(=O)NCCC1=CCCCC1 1 1.986 2 2 0 -17.4338512157247 2914631 CC(CC(=O)NC1=NN=C(S1)C(C)(C)C)C2=CC=CC=C2 1 3.638 3 1 -8.89485610429493 2914629 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)F 1 3.008 3 3 -4.90229115660564 2914627 C1C(=O)NC2=C(S1)C(=CC(=C2)C(F)(F)F)N 1 1.373 2 1 0 -5.26252062647481 2914612 COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2N3C(=O)C4C5CC(C4C3=O)C=C5 1 2.455 2 4 -1.25706621800674 2914605 CC1(C(=O)C2(CCCCC2)C(OC1=O)C(=O)C3=CC=CC=C3)C 1 4.013 0 4 -3.18447293793094 2914586 CC1=CC=C(C=C1)C(=O)COC(=O)C(C)N2C(=O)C3C4CCC(C4)C3C2=O 1 2.488 1 5 -14.8278879014423 2914579 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2N3C(=O)C4C5C=CC(C4C3=O)C6C5C6)C 1 3.576 2 3 -6.55615435138078 2914567 C1OC2=C(O1)C=C(C=C2)CC(C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C4=CC=CC=C4 1 3.427 2 6 0 -18.782104427329 2914558 CC(=O)NC(CC1=CC=CC=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br 1 3.125 1 4 -13.7823552522291 2914555 CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)(C)C)[N+](=O)[O-])C 1 4.822 5 3 0 -4.72859568308619 2914553 CC(CC(=O)NCC1=CC=C(C=C1)OC)C2=CC=CC=C2 1 3.348 1 2 -9.81564233588695 2914527 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.321 2 5 0 -11.3936161900205 2914521 COC(=O)C1CCN(CC1)C(=O)CSC2=CC=CC=C2 1 1.964 1 3 0 -8.11413128462955 2914519 CC1=C(C=CC(=C1)C(=O)NC(CC(C)C)C(=O)OC)[N+](=O)[O-] 1 2.841 2 5 0 -20.7330441262676 2914508 CCCC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 2.477 3 3 -15.3848020984977 2914467 CC(C1=CC=CC=C1)NC(=O)C(C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 2.261 3 5 0 -19.0557749305771 2914463 CC1=C(C=C(C=C1)C(=O)NC(C)CCC2=CC=CC=C2)[N+](=O)[O-] 1 4.157 2 3 -12.5570570772315 2914458 C=CCNC(=S)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=C(C=C3)Cl 1 3.246 4 2 -22.5195396846529 2914451 CC(=O)NC(CC1=CC=CC=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Cl 1 3.041 1 4 -12.3256955071277 2914449 CC(CCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2 1 3.479 1 2 -9.25496088613509 2914447 CC(CCC1=CC=CC=C1)NC(=O)CSC2=CC=CC=C2 1 4.17 1 1 -10.5583886465946 2914438 CC(CC(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)C2=CC=CC=C2 1 4.964 1 1 -1.47277779917102 2914434 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCNC(=O)C(=O)NC3=CC=C(C=C3)F 1 1.719 4 4 0 -23.1730803701592 2914425 CCOC1=CC=CC=C1N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 3.294 2 5 0 -21.4720426144284 2914414 CC(CCC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)OC 1 3.76 1 2 -9.88060970919416 2914410 CC1=CC(=CC=C1)N(CC(CN2CCCC2)O)S(=O)(=O)C3=CC=CC=C3 1 3.098 2 3 -8.18087340801814 2914402 COC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NCCO 1 1.526 2 4 0 2.54461925087114 2914400 CC1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCOCC3 1 3.111 3 3 -6.22499275124647 2914396 CC1=CC(=C(C=C1)C)C(=O)CC2(C3=CC=CC=C3N(C2=O)C)O 1 2.812 1 3 -3.70877082025101 2914378 CCCNC1=C(C(=O)C2=CC=CC=C2C1=O)N(C3=CC(=CC=C3)F)C(=O)C 1 2.678 2 3 0.302998854740827 2914368 CC(CC(=O)N1CCC2=CC=CC=C21)C3=CC=CC=C3 1 3.638 1 1 -9.61794480220929 2914367 CC(=O)NC(CC1=CC=CC=C1)C(=O)OCC(=O)C2=CC=CC=C2 1 2.376 1 4 -15.2363732272721 2914355 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)S(=O)(=O)CC4=CC=CC=C4 1 2.327 4 5 0 -15.7471306803584 2914353 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.971 3 6 0 -19.0631499804519 2914347 CC(CC(=O)NCCC1=CC=C(C=C1)F)C2=CC=CC=C2 1 3.891 1 1 -8.09924558941181 2914346 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 1.978 3 6 0 -18.9798775489654 2914344 CCOC(=O)C1CCCN(C1)C(=O)CC(C)C2=CC=CC=C2 1 2.798 1 3 -11.5288120998141 2914342 C1C(N(N=C1C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Br 1 4.821 2 2 -5.76106330149358 2914337 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C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)Cl)Cl 1 4.566 2 1 -1.53837519168095 2913748 C1CC(OC1)CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-] 1 1.77 3 3 0 -9.72809028698726 2913746 CC(CN1CCOCC1)OC(=O)C2=CC(=CC=C2)Br.Cl Cl- 1 2.637 1 3 -7.14232086670428 2913725 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3C(=O)O)Cl)Cl 1 5.369 1 3 -7.11670043467441 2913712 CC(CN1C2=CC=CC=C2N=N1)C(=O)O 1 1.833 3 2 0 -9.70060036827293 2913707 CC1=C(C(=CC=C1)CN(C)C)OC(=O)N(C)C.Cl Cl- 1 2.359 2 2 -2.00615846928448 2913687 CSC1=CC=C(C=C1)OC2CCCCC2NS(=O)(=O)C3=CC=CC=C3 1 4.345 1 3 -5.10495059951281 2913673 COC1=CC=C(C=C1)C(=O)COC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4 1 3.678 1 5 -9.68831536844468 2913654 C1CCN(CC1)C2CCCCC2NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.892 2 2 -2.87096748183396 2913649 CC1=CC(=NC(=N1)SC2CCCCC2NS(=O)(=O)C3=CC=C(C=C3)Cl)C 1 4.334 3 2 -6.51468668171402 2913631 CC1=CC(=NC(=N1)OC2=NN=C(C=C2)OCCOC3=CC=CC=C3)OC 1 4.013 4 4 0 -8.0799704938332 2913623 CCC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2 1 3.755 1 4 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0 -12.9174941085952 2913415 C1CCC(C(C1)NC(=O)CCC(=O)O)NC(=O)CCC(=O)O 1 -0.313 2 6 0 -12.0776840361667 2913411 CC1=C(C(=NC(=N1)N2CCOCC2)N3CCCC3)[N+](=O)[O-] 1 0.521 5 3 0 -1.47753741383929 2913384 CCOC1=CC=C(C=C1)C(=O)OC(C)CN2CCCCC2.Cl Cl- 1 3.451 1 3 -5.50510651218332 2913373 CC1=C(C=C(C=C1)C(=O)NC2=CN=CC=C2)Cl 1 2.614 2 1 -4.55435196226467 2913357 CC(CN1CCOCC1)OC(=O)C2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 3.218 1 3 -2.31795956824648 2913355 CC(CN1CCOCC1)OC(=O)C2=CC=C(C=C2)Cl.Cl Cl- 1 2.553 1 3 -4.97356762029148 2913340 CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC 1 2.617 3 5 0 -26.5633743955801 2913333 CC1=CC=C(C=C1)OC(=O)CCC(=O)NC(C)C2=CC=CC=C2 1 3.468 1 3 -18.4308517782917 2913330 C1CCC(C(C1)NCC2=CC=CO2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.204 2 3 -3.89771098209147 2913286 CC1=C(CC(C(C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)O)C 1 -0.387 2 5 0 -3.44749724229605 2913314 CCOC1=CC=C(C=C1)CC2CCC(=O)NC2=O 1 1.947 1 3 0 -7.26183371260137 2913295 CCOC1=CC=C(C=C1)C(=O)OCCN(C)C.Cl Cl- 1 2.156 1 3 -3.97928707441548 2913282 CCC1=NN=C(S1)NC(=O)CN2C(=O)CCC2=O 1 -0.549 4 3 0 -19.0156798096669 2913277 CN1C=NN=C1SC2C(C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl 1 4.01 4 2 -8.91464576439286 2913271 CC1(CC2=C(C(=O)C1)C(=C(C(O2)C3=CC=NC=C3)C#N)N)C 1 0.587 3 2 0 -13.8688706749223 2913270 C1=CC=C(C=C1)N2C(=O)C(NC2=O)CC(=O)O 1 0.487 2 4 0 -9.61301516479213 2913231 C1=CC=C(C=C1)S(=O)(=O)NC2C(C3=CC=CC4=C3C2=CC=C4)SC5=NC=CC=N5 1 3.976 3 2 -4.60989183209842 2913226 CC(C)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)C5=CC=CC=C54 1 4.715 1 2 -20.5556765345017 2913208 CC1=CC(=C(C=C1)C)OCC(=O)NCCN(C)C.Cl Cl- 1 1.984 2 2 0 -5.51406885890661 2913195 CC(=O)NC(CC1=CC=CC=C1)C(=O)OCC(=O)C2=CC=C(C=C2)F 1 2.582 1 4 -13.4358171722492 2913192 C1=CC2=NC=CN=C2C(=C1)NC3=CC=C(C=C3)F 1 3.049 3 0 3.8834191637998 2913182 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O 1 5.922 2 3 -8.92589768654475 2913162 CC(CN1CCOCC1)OC(=O)C2=CC=CC=C2Cl.Cl Cl- 1 2.553 1 3 -6.66349723704341 2913158 COC1=CC=CC(=C1)CC2CC(=O)N(C2=O)CCC3=CC4=C(C=C3)OCO4 1 3.02 1 5 -5.50371230877731 2913148 C1CCC(CC1)CC(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N 1 2.988 3 4 0 -2.20857249421789 2913143 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCNC2=O 1 0.724 3 5 0 -18.2071684196004 2913118 C1CCN(C1)C2=C3C(=CSC3=NC=N2)C4COC5=CC=CC=C5O4 1 3.672 3 2 2.83289720337216 2913110 CC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2 1 2.972 2 2 -20.0180562363511 2913099 COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)CC3=CC=C(C=C3)Br)OC 1 3.984 1 4 -6.80120819514165 2913082 CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3)C4=CC=CC=C4O 1 3.42 3 3 -3.52374013537626 2913061 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)OC)CC4=CN=CC=C4)O 1 2.342 2 5 0 -14.5659836045004 2913058 C1CCC(CC1)CC(=O)NCC2CCCO2 1 2.104 1 2 -17.7743352009145 2913052 C1=CC=C(C=C1)CC(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N 1 2.316 3 4 0 -1.05947348672221 2913048 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=NO)N 1 2.429 2 1 -1.67510158085288 2913046 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C=C3)Cl)Cl)CC4=CN=CC=C4)O 1 3.688 2 4 -13.9421395961142 2913040 CN(C)CCCOC(=O)C1=CC(=CC=C1)OC.Cl Cl- 1 1.87 1 3 0 -4.64919717425691 2912989 COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)C(=O)COC4=CC=CC=C4 1 2.803 3 3 -2.55887157251472 2912979 CC(CN1CCOCC1)OC(=O)C2=CC=CC=C2Br.Cl Cl- 1 2.637 1 3 -6.50328575347215 2912969 C1CCC(C(C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)OC3=CC=CC=C3 1 4.468 1 3 -5.08029322212845 2912964 CC1=CN=C(C=C1)NC(=O)C2CCCNC2=O 1 0.721 3 2 0 -16.4618427524808 2912948 CCC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)O 1 2.789 1 3 -16.5372431109742 2912942 CC(CN1CCOCC1)OC(=O)C2=CC=CS2.Cl Cl- 1 1.842 1 3 0 -8.90410897605795 2912934 CSC1=CC=C(C=C1)OC2CCCCC2NS(=O)(=O)C3=CC=C(C=C3)Cl 1 5.01 1 3 -2.38694226968983 2912929 CCNC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl 1 3.035 1 2 -7.08143398698918 2912925 C1CCC(C(C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=CS3 1 3.232 2 2 -7.2825046619454 2912910 CC1CC(CN(C1)C(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N)C 1 2.323 6 2 0 -11.6329743391119 2912878 CC(CN1CCCCC1)OC(=O)C2=CC=CC=C2Cl.Cl Cl- 1 3.783 1 2 -4.26489102613132 2912874 CC(CN1CCCCC1)OC(=O)C2=CC=CC=C2F.Cl Cl- 1 3.324 1 2 -4.87629955743434 2912871 CCC(C)NC(=O)NC1C(N(C(=O)N1C)C)NC(=O)NC(C)CC 1 0.876 6 3 0 -13.6197048451312 2912856 CC(C1=CC(=CC=C1)NC(=O)CCC(=O)O)O 1 0.568 1 4 0 -12.0490308336424 2912849 CCN(CC)CCOC(=O)C1=CC(=CC=C1)OC.Cl Cl- 1 2.505 1 3 -4.98736220743506 2912834 C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)CCCN)Cl.Br Br- 1 3.579 3 3 -9.17147998937181 2912816 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4OC 1 1.791 4 4 0 -13.8428520478753 2912806 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CS3)C(=O)NCC4CCCO4 1 3.304 2 3 -23.0291061938441 2912797 CC1=C(C(=O)NN1)C(C2=CC3=C(C=C2)OCO3)C4=C(NNC4=O)C 1 -0.423 4 4 0 -8.26045729997883 2912794 CC(CN1CCOCC1)OC(=O)C2=CC=C(C=C2)Br.Cl Cl- 1 2.637 1 3 -6.43022736539291 2912786 C1CCC(CC1)CC(=O)ON=C(C2=CC(=CC=C2)[N+](=O)[O-])N 1 2.988 3 4 0 -4.682186872561 2912777 CC1=CC(=C(C=C1C)[N+](=O)[O-])N2C(=O)C=CC2=O 1 2.255 2 4 -0.544720813921637 2912769 CC(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 3.144 1 2 -1.73582500280194 2912766 C1CCN(CC1)C2CCCCC2NS(=O)(=O)C3=CC=CC=C3 1 3.227 2 2 -5.58897581165694 2912759 CC1CCCCN1C(=O)C(CC2=CC=CC=C2)N3C(=O)C4CCCCC4C3=O 1 3.479 2 3 -10.2365068399802 2912753 CC(CN1CCCCC1)OC(=O)C2=CC=CO2.Cl Cl- 1 2.514 1 3 -3.94928620090828 2912708 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CC3CCC2C3)C4=CC=CC=C4OC 1 3.654 2 4 -15.5761456291913 2912701 C1CCN(CC1)C(=O)C2CCCNC2=O 1 0.392 2 2 0 -18.0888178663337 2912693 CCOC1=CC=C(C=C1)N(C(C)C(=O)N2CCCCCC2)S(=O)(=O)C 1 2.402 2 4 -9.95615346800134 2912682 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CN=CC=C2.Cl Cl- 1 2.062 1 5 -9.56232084150606 2912676 C1COCCN1C2=C3C(=CSC3=NC=N2)C4COC5=CC=CC=C5O4 1 2.899 3 3 0.889342566491313 2912658 CC1=C(C(NC(=O)N1)C2=CC=CC=C2F)C(=O)N 1 0.417 3 2 0 -24.3979109885157 2912654 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)N(C3=CC=CC=C3)S(=O)(=O)C 1 1.16 4 4 0 -18.0016445727373 2912652 C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)O 1 0.936 1 3 0 -7.56500688424081 2912635 CC1=C(CC(C(C1)C(=O)NCC(=O)C2=CC=CC=C2)C(=O)O)C 1 2.389 1 4 -6.39849423478152 2912609 CCOC1=CC=C(C=C1)C(=O)CCNC(CC(=O)O)C2=CC=CC=C2 1 0.257 1 4 0 -6.87494888911312 2912605 CCOC1=CC=C(C=C1)C(=O)CCNC(CC2=CN=CN2)C(=O)O 1 -1.671 3 4 0 -4.32185439400118 2912588 CN(C)CC1=CC(=C(C=C1)OC(=O)N(C)C)Cl.Cl Cl- 1 2.537 2 2 -2.45809761128524 2912570 C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC(=O)C5=CC=C(C=C5)Br 1 4.443 1 4 -8.98105316245021 2912557 CC(C1=NC2=CC=CC=C2N1CCOC3=CC=CC=C3)O 1 3.256 2 2 -5.46015979346301 2912540 CCOC1CCCCC1NS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.054 1 3 -5.05951653759428 2912534 C1CC(OC1)CNC(=O)CN(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3 1 2.697 2 4 -23.149462192908 2912530 CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OCC4=CC=C(C=C4)[N+](=O)[O-] 1 1.603 5 6 0 -13.6012247720232 2912528 CC(CN1CCCCC1)OC(=O)C2=CC(=CC=C2)F.Cl Cl- 1 3.324 1 2 -4.36105185702561 2912522 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)[N+](=O)[O-])CC4=CN=CC=C4)O 1 2.253 3 6 0 -18.5309223225351 2912505 CCOC1=CC=C(C=C1)N(C(C)C(=O)NCC2=CC=CO2)S(=O)(=O)C 1 1.588 2 5 0 -12.4757567142129 2912496 C1=CC(=CC(=C1)Br)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 3.543 2 3 -5.39130098909926 2912462 CC(C)OC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)OC 1 4.518 2 2 -6.8696426959906 2912459 CC1=CC=CC=C1OCC(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 4.981 0 4 -10.6656937852987 2912448 COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CO4)OC 1 2.181 2 6 0 -21.1715413710922 2912401 CC(C(=O)NCCN1CCOCC1)OC2=C(C=C(C=C2)Cl)Cl 1 2.512 2 3 -10.2128464819433 2912359 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)OC)C 1 1.665 5 5 0 -12.1269939832315 2912347 C1CCC(CC1)CC(=O)ON=C(CC2=CC=C(C=C2)[N+](=O)[O-])N 1 3.023 3 4 0 -2.29083672686869 2912337 COC1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 3.715 2 8 0 -16.9179046357429 2912334 CC1=C(C(NC(=S)N1)C2=CC=CS2)C(=O)OCC=C 1 2.816 2 2 -31.4184774065976 2912319 C1CC(OC1)CNC(=O)CN2C=C(C3=CC=CC=C32)C#N 1 1.626 3 2 0 -19.1285574546305 2912317 CN1CCCC(C1)OC(=O)C2=CC=CC=C2F.Cl Cl- 1 2.519 1 2 -3.83272269909527 2912300 CC1=C(C(=NC(=N1)N2CCOCC2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-] 1 1.689 6 3 0 1.39306587088584 2912299 CN(C)CCOC(=O)C1=CC(=CC=C1)Br.Cl Cl- 1 2.572 1 2 -3.21789521802434 2912281 C1COCCN1C(=S)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4 1 4.438 2 1 -9.17862419344489 2912269 CC(C(=O)N1CCCC1)N(C2=CC=CC=C2)S(=O)(=O)C 1 1.157 2 3 0 -8.92469568132889 2912256 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCOC(=O)C3=CC=NC=C3 1 0.973 3 4 0 -9.45884925393421 2912244 CC1=CC(=CC(=C1)OC2CCCCC2NS(=O)(=O)C3=CC=CC=C3)C 1 4.776 1 3 -7.25908534516028 2912237 CC1=C(C(=NC(=N1)N2CCOCC2)OC(C)C)[N+](=O)[O-] 1 1.228 4 4 0 -2.75952195945855 2912233 CC(C1=CC=CC=C1)NC(=O)CC2CCCCC2 1 3.706 1 1 -12.2674103722628 2912208 C1C(CN(C1=O)C2=CC=C(C=C2)Br)C(=O)O 1 1.479 1 3 0 -7.91154496422068 2912206 COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)C(=O)C4=CC(=CC(=C4)OC)OC.C(=O)(C(F)(F)F)O OC(=O)C(F)(F)F 1 2.935 3 4 0 -3.35191249595149 2912198 CC1=CC=C(C=C1)NC2CCCCC2NS(=O)(=O)C3=CC=C(C=C3)Cl 1 4.779 2 2 -5.01376125109593 2912193 CN(C)C(=O)OC1=CC=CC=C1CN(C)CC2=CC=CC=C2.Cl Cl- 1 3.456 2 2 3.94107501653884e-002 2912191 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)Cl)CC4=CN=CC=C4)O 1 3.023 2 4 -12.3310187047695 2912155 CC1=CC(=NC(=N1)SC2CCCCC2NS(=O)(=O)C3=CC=CC=C3)C 1 3.669 3 2 -9.23269501153699 2912153 CC1=C(CC(C(C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)O)C 1 -0.155 2 3 0 -2.44193480097073 2912130 CC(CN1CCOCC1)OC(=O)C2=CC(=CC=C2)Cl.Cl Cl- 1 2.553 1 3 -5.11127773708238 2912105 CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC)Br)C3=C(NNC3=O)C 1 0.541 4 3 0 -7.71760319738436 2912059 COC1=CC(=C(C=C1)OC)NC(=O)C2CCCNC2=O 1 0.813 2 4 0 -16.3424440472604 2912041 CC1=C(C(=NC(=N1)N2CCOCC2)OC)[N+](=O)[O-] 1 0.501 4 4 0 -2.34582125698026 2912029 CN(C)CC1=C(C=CC(=C1)OC)OC(=O)N(C)C.Cl Cl- 1 1.856 2 3 0 -1.67990354518039 2912001 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC=NC=C5 1 2.7 3 4 0 1.14340350675694 2911992 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4)C 1 1.681 5 4 0 -11.9753309692296 2911976 CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2=CC=C(C=C2)OC)S(=O)(=O)C 1 2.383 2 5 0 -9.82572888568769 2911975 CC1=CC=CC=C1N2CC(CC2=O)C(=O)O 1 1.217 1 3 0 -7.40532051898583 2911959 C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2CCCO 1 3.341 2 2 -1.14499261714934 2911947 CCCCC(=O)NC1=CC=CC(=C1)NC(=O)CC 1 2.316 2 2 -8.61723852619078 2911939 CCOC1=C(C=CC(=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)Cl)O 1 3.616 2 5 0 8.01841121039292 2911922 CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=CC=N3 1 2.692 4 3 0 -14.7136288375056 2911896 CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.736 2 2 -2.19234241299837 2911882 CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)OCC=C 1 3.25 3 4 0 -27.1531279622933 2911878 CC(CN1CCOCC1)OC(=O)C2=CC=C(C=C2)OC.Cl Cl- 1 1.872 1 4 0 -7.13748957138738 2911854 C1=CC=C(C=C1)CC(C(=O)OCC(=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)Cl 1 5.369 1 4 -13.8999763210293 2911836 CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC(=CC=C4)[N+](=O)[O-] 1 1.986 4 6 0 -23.8273196868331 2911831 CCOC1=CC=C(C=C1)C(=O)OC2CCCN(C2)C.Cl Cl- 1 2.646 1 3 -5.24149559668377 2911828 CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=C)Cl 1 4.683 0 3 -7.49744398586815 2911790 C1CCC2=C(C1)C3=C(C=C(C=C3)OC(=O)C4=CC=CS4)OC2=O 1 4.718 0 4 -15.5521632714333 2911789 C1C=CCC(C1C(=O)NC2=CN=CC=C2)C(=O)O 1 0.666 2 3 0 -4.60672552819019 2911787 COC1=C(C=C(C=C1)CCNC(=O)CC(CC2=CC=CC=C2)C(=O)O)OC 1 3.041 1 5 -14.2765888582758 2911778 CC(C)C(CO)NC(=O)CC(=O)NC(CO)C(C)C 1 0.124 2 4 0 -6.97844211827606 2911774 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)OS(=O)(=O)C4=CC=C(C=C4)Br 1 3.67 1 5 -1.46102148002631 2911742 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3CCS(=O)(=O)C3 1 1.756 2 4 0 -16.4450969430892 2911737 C1OC2=C(O1)C=C(C=C2)N3C(=NN=N3)SCC4=C(C=CC=C4Cl)F 1 4.021 4 2 -17.3506878450108 2911710 CC1=CC=C(C=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C 1 0.295 4 2 0 -7.3343422058656 2911708 C1CCC(C(C1)NCC2=CC=CO2)NS(=O)(=O)C3=CC=CC=C3 1 2.54 2 3 -6.71311353843922 2911693 COCCNC(=O)CN(C1=CC=CC=C1OC)S(=O)(=O)C 1 -0.141 2 5 0 -22.6099570966612 2911682 C1CCC(C(C1)NC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.629 2 2 -8.1814551813405 2911661 CCCOC1=CC=C(C=C1)NC(=O)C2CCCNC2=O 1 1.702 2 3 0 -15.0432590420205 2911646 C1CCC(C(C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)N3CCOCC3 1 2.662 2 3 -4.66317469467421 2911644 C1CC(C(=O)NC1)C(=O)NCCNC(=O)C(F)(F)F 1 -0.45 3 3 0 -23.1786448251317 2911630 C1=CC2=C3C(=C1)C(C(C3=CC=C2)SC4=NC=CC=N4)NS(=O)(=O)C5=CC=C(C=C5)Cl 1 4.641 3 2 -1.79448927575066 2911620 COC1=CC=C(C=C1)C2=CC(=O)OC3=CC(=C(C=C23)Cl)OC(=O)C4CCCCC4 1 5.92 0 5 -3.16829033712833 2911605 COC1=CC=CC=C1N(CC(=O)NCCSCC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.852 2 4 -19.3839762718902 2911593 CC1=C(C=CC(=C1)C(=O)NC2CCCCCCC2)[N+](=O)[O-] 1 4.189 2 3 -10.8816843131529 2911591 CN1CCCC(C1)OC(=O)C2=CC=CC=C2OC.Cl Cl- 1 2.297 1 3 -4.53287661091097 2911586 C1CN2CCC1C(C2)OC(=O)C3=CC(=CC=C3)Cl.Cl Cl- 1 2.886 1 2 -0.689171710290942 2911568 CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CSC3=CC=CC=C3)C)[N+](=O)[O-] 1 5.606 2 3 -12.7164708223048 2911561 CC1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.713 2 2 -13.4421905046204 2911557 C1CC(OC1)CN2C(=O)C3=CC=CC=C3NC2=S 1 2.5 2 2 -11.0910525051095 2911539 CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC(=C(C=C4)OC)OC 1 2.059 3 6 0 -24.8152752845795 2911491 CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)O 1 1.217 1 3 0 -6.38621351630354 2911476 CC1=NN2C(=C3C(=C2C(=C1)C4=CC=CC=C4)N(C(=O)N(C3=O)C)C)C5=CC=CC=C5 1 3.952 4 2 -6.40214878830027 2911470 CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)OCC=C 1 2.692 3 5 0 -25.4050288512927 2911466 CC(CN1CCCCC1)OC(=O)C2=CC3=C(C=C2)OCCO3.Cl Cl- 1 2.904 1 4 -8.92812478244828 2911435 CC(CN1CCCCC1)OC(=O)C2=CC=C(C=C2)Cl.Cl Cl- 1 3.783 1 2 -2.57496140937939 2911388 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 1.354 4 5 0 -11.0356353354564 2911383 CC(CN1CCCCC1)OC(=O)C2=C(C=C(C=C2)Cl)Cl.Cl Cl- 1 4.447 1 2 8.06466426656023e-002 2911378 C=CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CO4 1 2.814 2 5 0 -21.7612949378053 2911371 CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 3.267 3 4 0 4.914648206421 2911354 CC1=CC(=C(N1C2=CC(=C(C=C2)NC3CCCCC3)[N+](=O)[O-])C)C=O 1 4.318 3 3 -5.54701048235683 2911345 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)Br)CC4=CN=CC=C4)O 1 3.107 2 4 -13.7876784498709 2911344 CCOC(=O)C1=C(NC(=O)NC1C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C 1 3.54 4 3 0 -23.2116932065206 2911326 COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CS4)OC 1 2.739 2 5 0 -22.9196404820927 2911310 CC1=C(C(=O)NN1)C(C2=CC(=C(C(=C2)Br)OC)OC)C3=C(NNC3=O)C 1 0.524 4 4 0 -8.17966476170922 2911285 CC1=CC(=NC(=N1)NC(=NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4CCCCC4C3=O)NC5=CC=CC=C5)C 1 4.48 6 3 0 -9.69075555257088 2911279 CN(C)CCCOC(=O)C1=CC(=C(C=C1)OC)OC 1 1.853 1 4 0 -8.65936936445822 2911251 CC(CN1CCOCC1)OC(=O)C2=CC3=C(C=C2)OCCO3.Cl Cl- 1 1.675 1 5 0 -10.800834763777 2911213 CC(CN1CCCCC1)OC(=O)C2=CC3=C(C=C2)OCO3.Cl Cl- 1 2.886 1 4 -7.48282362887984 2911168 CC(C1=NC2=CC=CC=C2N1CCCOC3=CC=CC=C3)O 1 3.319 2 2 -5.51688202410344 2911166 C1=CC=C(C=C1)C2=CC=CC=C2N3C(=O)C4C5C=CC(C4C3=O)(O5)CO 1 1.679 1 4 0 21.8111085638162 2911159 CC(CN1CCCCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl Cl- 1 3.069 1 5 -8.36801061617428 2911144 CCOC1=CC=C(C=C1)NC(=S)NC(C)C2=CC=CS2 1 4.652 2 1 -6.80095746620198 2911138 CN1CCCC(C1)OC(=O)C2=CC=CC=C2Cl.Cl Cl- 1 2.978 1 2 -3.22131416779225 2911135 C1CC(C(=O)NC1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 -0.248 3 4 0 -18.6003174771595 2911125 CC(CN1C=NC2=CC=CC=C21)C(=O)O 1 1.743 2 2 0 -6.36710401936792 2911123 CC1=C(C(NC(=O)N1)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)OC(C)C 1 3.918 4 3 0 -24.563648024276 2911077 CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)OC4=CC=CC=C4)CC5=CN=CC=C5)O 1 3.919 2 5 0 -11.3988903064225 2911045 CC(CN1CCOCC1)OC(=O)C2=CC(=C(C=C2)OC)OC.Cl Cl- 1 1.856 1 5 0 -12.4841185821984 2911003 COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 3.579 3 3 -6.90771721566943 2910996 COC1CCCCC1NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.705 1 3 -5.36666077523858 2910977 CC(C(=O)NCCSCC1=CC(=CC=C1)Cl)N(C2=CC=CC=C2)S(=O)(=O)C 1 3.352 2 3 -10.1765569208659 2910975 CC(CC1=CC=CC=C1)NC(=O)C2CCCNC2=O 1 1.551 2 2 0 -17.4560565131352 2910944 C1=CC=C(C=C1)CC(=O)ON=C(CC2=CC=C(C=C2)[N+](=O)[O-])N 1 2.35 3 4 0 -5.12836269152822e-002 2910934 CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)Cl)C3=C(NNC3=O)C 1 0.473 4 2 0 -5.32404692094498 2910918 CCC(C)C(C(=O)O)NCCC(=O)C1=CC=C(C=C1)OCCC(C)C 1 1.412 1 4 0 -13.4607413141555 2910886 CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)C(C)(C)C 1 3.492 3 4 0 -16.871280610543 2910846 COC1=C(C=C(C=C1)C=C2C(=O)C3=CC=CC=C3C2=O)O 1 2.977 0 4 1.54540372277542 2910819 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=CN=C3)Br 1 2.365 4 3 0 -2.20211529067376 2910818 CC1=CC(=C(C=C1C)OC(=O)N(C)C)CN(C)C.Cl Cl- 1 2.845 2 2 -0.980055918742287 2910784 CC1CC(CN(C1)C2CCN(CC2)C(=O)COC3=CC=C(C=C3)C)C 1 3.232 2 2 -7.08511660955487 2910773 CC1CCCC(C1C)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 3.938 3 1 -9.82673138460407 2910762 CC1=C(C(=NC(=N1)N2CCOCC2)N3CCCCC3)[N+](=O)[O-] 1 0.977 5 3 0 -1.83200592800737 2910742 C1CC(C(=O)NC1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.628 3 2 -21.6984399252365 2910730 CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)C(C)C 1 3.286 3 4 0 -19.1659550630027 2910729 CCC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl 1 5.648 1 4 -13.4482680680874 2910708 C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br)[N+](=O)[O-] 1 3.258 4 3 0 -9.68970141211355 2910697 CCCCN1C2=C(N=C1OC3=CC=C(C=C3)C(=O)OC)N(C(=O)N(C2=O)C)C 1 3.186 4 5 0 -17.8536384211737 2910672 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C4CCCCC4 1 4.392 3 3 -6.12462024866494 2910664 C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 1.686 4 4 0 -9.46876885692957 2910654 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)SC3=CC=C(C=C3)Cl)C 1 5.616 2 3 -7.24532939436778 2910650 CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)O)Br)C3=C(NNC3=O)C 1 0.315 4 3 0 -4.79358571912914 2910633 CC1=CC(=CC=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4.Cl Cl- 1 3.949 4 1 3.76458307384997 2910630 C1CC(OC1)CNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.164 3 4 0 -16.045080208989 2910628 CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3 1 3.843 2 2 -3.42195614237144 2910626 CC1=CN=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2 1 2.262 2 3 -4.3681336525537 2910600 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2[N+](=O)[O-])CCCN3CCOCC3)O 1 0.495 3 6 0 -22.8982918076797 2910597 CC1=CC(=CC=C1)OCC(=O)N2CCC(C2)C3=CC=CC=C3 1 3.377 1 2 -2.29423428401625 2910577 CC(CCC1=CC=CC=C1)NC(=O)C(=O)NC2=CC=CC=C2 1 3.042 2 2 -8.9576897626851 2910572 CC(C)COP(=O)(C(C1=CC=C(C=C1)F)NC2=CC=CC=C2)OCC(C)C 1 5.324 1 3 -6.40014188880604 2910557 CC(CCC1=CC=CC=C1)NC(=O)C(=O)NCCC2=CC=CC=C2 1 3.37 2 2 -12.7183798480514 2910510 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3 1 2.598 3 2 -23.6390989217236 2910500 CC1C(=C(OC2=C1C(=O)CC(C2)C3=CC=CC=C3)N)C#N 1 2.104 2 2 -15.3813539906656 2910489 CN(CCOC(=O)C1=CC(=CC=C1)F)CC2=CC=CC=C2.Cl Cl- 1 3.613 1 2 -0.286071248011212 2910483 CC1=CC=CC=C1C(=O)NC(=S)NC2CCSC2=O 1 2.679 2 2 -17.1472177179364 2910479 CC1=CC=C(C=C1)S(=O)(=O)N(C2CS(=O)(=O)C=C2)C3=CC=CC(=C3)C(F)(F)F 1 3.332 1 4 0.476631669402312 2910478 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 1 4.062 5 3 0 -33.5348285069825 2910405 CC1=CC=C(C=C1)S(=O)(=O)CC(CN2CCOCC2)N3CCOCC3 1 1.523 2 4 0 -8.2197304844564 2910413 CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3 1 3.084 3 2 -21.5947992300212 2910417 COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=NNC3=NC(=O)C(S3)CC(=O)O 1 2.934 3 7 0 -19.4017344353628 2910437 C1CC(OC1)CNC2=C(N=C(O2)C3=CC=CC=C3)C#N 1 2.251 3 2 -3.81592949811701 2910436 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)Cl 1 3.926 3 2 -21.8623560901369 2910434 CC(C1C(=C(OC2=C1C(=O)CC(C2)(C)C)N)C#N)C3=CC=CC=C3 1 3.018 2 2 -16.4104197824975 2910397 CC1=NC2=CC=CC=C2N1CC(CN(C3=CC=CC=C3OC)S(=O)(=O)C4=CC=CC=C4)O 1 3.627 3 4 0 -6.90862757043236 2910395 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3CCCO3 1 2.583 2 2 -27.23886678663 2910390 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3Cl 1 3.262 3 2 -21.9212749601652 2910388 CCN(CC)C(=O)COC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2 1 3.28 1 4 -17.5011805638587 2910387 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CN4C5=CC=CC=C5N=N4 1 3.368 7 2 0 -16.0404943151034 2910385 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3F 1 2.803 3 2 -23.176790378605 2910328 CC1=CC=C(C=C1)C(CN2C3=CC=CC=C3N4C2=NCCC4)O.Cl Cl- 1 2.805 3 1 -6.95749034151538 2910339 COC1=CC=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CO4 1 1.591 2 6 0 -19.6934484653668 2910341 COC(=O)COC(=O)CC(CC(=O)N)C1=CC=CC=C1 1 0.686 1 5 0 -11.326556754721 2910343 COC1=CC=C(C=C1)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 3.345 0 4 4.07605219560051 2910346 C1CC[NH+](C1)C2CCC3CCCC2C3=O.[Cl-] Cl- 1 0.8 1 1 0 -1.78331642423095 2910350 COC1=CC(=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC=CO4)OC 1 1.552 3 6 0 -14.4028701663085 2910318 CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2)C)C(=O)OCC)C3=CC=CC=N3)C4=CC(=CC=C4)OC 1 2.973 2 6 0 -30.6221565869798 2910300 C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)F 1 2.371 2 4 -20.316704341758 2910276 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3 1 1.206 2 5 0 -8.61605693379193 2910257 CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2)C)C(=O)OCC)C3=CC=CC=N3)C4=CC=CC=C4OC 1 2.973 2 6 0 -33.2870499458049 2910255 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(COC3=CC=CC=C3Cl)O 1 2.648 1 4 -6.19564349510749 2910252 CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC)C(=O)NC3=C(C=CC(=C3)OC)OC 1 1.945 3 5 0 -30.7756184703642 2910238 CCOP(=O)(C1=CC=CC=C1)C(C2=CC=C(C=C2)Br)O 1 3.566 0 3 -4.13880325071836 2910234 COC1=CC=CC=C1NC(=S)NCC2CCCO2 1 2.854 2 2 -14.2895624162427 2910228 CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)[N+](=O)[O-])C 1 3.027 3 8 0 -24.4686650811014 2910208 C1=COC(=C1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)F)CCCN4C=CN=C4)O 1 1.79 3 4 0 -12.3799676705913 2910207 C1=CC(=CC(=C1)Br)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC=CO4 1 2.333 3 4 0 -13.6477078076465 2910197 CC1=CC(=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=CS3)C)C 1 4.101 3 1 -29.4152872958788 2910188 CCC1CCCCN1C(=S)NC(=O)C2=CC=CS2 1 4.219 2 1 -12.4371625782377 2910173 CCN(CC)C(=O)COC1=CC(=CC2=C1C(=CC(=O)O2)C3=CC=CC=C3)C 1 3.811 1 4 -9.81834264532304 2910161 CC1=CC(=C(C=C1)S(=O)(=O)CC(C)N2CCOCC2)S(=O)(=O)CC(C)N3CCOCC3 1 1.776 2 6 0 -7.58397373875691 2910149 CC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2CCCCC2 1 3.514 1 3 -9.57961668022071 2910131 C1CN(CCN1CCO)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4.Cl Cl- 1 1.51 5 2 0 6.77328988023608 2910122 CC1=CC(=NN1CC(CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O)C 1 2.633 4 5 0 -14.8197743788897 2910078 CC1=CC(=C(N1C2=CC=NC=C2)C)C=C3C(=O)NC(=O)NC3=O 1 0.881 4 3 0 -7.77875104463591 2910068 C1CSC(=O)C1NC(=S)NC(=O)C2=CC=CC=C2 1 2.193 2 2 -15.640838420216 2910057 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(COC3=CC=C(C=C3)Br)O 1 2.435 1 5 -0.429091927279558 2910055 CC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2=CC=C(C=C2)OC 1 3.216 1 4 -7.88553065522485 2910044 C1CC(OC1)CNC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.599 2 2 -9.51724822609824 2910040 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])Cl 1 2.988 3 5 0 -15.689544077994 2910039 C1=CC(=C(C=C1C2=CC=C(O2)C=NNC3=NC(=O)C(S3)CC(=O)O)[N+](=O)[O-])Cl 1 3.58 4 6 0 -9.64215817877465 2910026 CC1=NN(C(C1)C2=CC=C(C=C2)OCC=C)C3=CC=CC=C3 1 4.108 2 1 -7.16140969176909 2910005 C1CN=C2N(C1)C3=CC=CC=C3N2CC(=O)C4=CC(=CC=C4)Br.Br Br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l Cl- 1 -0.224 3 2 0 -11.373373939188 2909929 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Cl)Cl 1 3.926 3 2 -20.0894196711483 2909926 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)F 1 2.803 3 2 -22.770567757885 2909909 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=CC=C3 1 4.572 4 2 -9.01226103516162 2909905 CN(C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC=CC=C3F 1 2.125 2 4 -18.7102413048183 2909894 CC1=CC=C(O1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CS4 1 1.599 2 5 0 -22.5281769931577 2909886 CC1(C(=O)N(C(=O)N1)CC(CN2CCCC2)O)C 1 -7.e-002 3 3 0 -7.95527188733557 2909877 CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2)C)C(=O)OCC)C3=CC=CC=N3)C4=CC=C(C=C4)OC 1 2.973 2 6 0 -31.8512781869975 2909867 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NNC3=NC(=O)C(S3)CC(=O)O 1 3.437 3 6 0 -16.7252823401828 2909852 CCOP(=O)(C1=CC=CC=C1)C(C2=CC=C(C=C2)F)O 1 3.024 0 3 -3.79226517073849 2909834 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(COC3=CC=C(C=C3)Br)O 1 2.732 1 4 -3.83550331986045 2909821 CC1=CC2=C(C=C1)N=C3CCCC3=C2NC4=CC(=CC=C4)O.Cl Cl- 1 4.874 2 1 9.01098480553931 2909816 CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C1)C 1 1.6 5 3 0 -24.599069829132 2909815 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C3=CC=CC=C3N=N2)O)C4=C(C=CC(=C4)[N+](=O)[O-])OC 1 3.836 5 6 0 -13.9829385829576 2909808 CCCN1C2=CC=CC=C2N=C1S(=O)(=O)O 1 2.298 2 3 -6.11947478077197 2909806 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)N=CN(C)C 1 2.83 2 3 -1.02212470065983 2909794 C1CC(OC1)CNC(=S)NC(=O)C2=CC=C(C=C2)Cl 1 2.934 2 2 -12.128683731045 2909786 CCC1=CC2=C(S1)N=CN=C2SCC(=O)C3=CC=C(C=C3)C 1 4.747 2 1 -6.5928444915411 2909751 CCCOC(=O)C1=CC=C(C=C1)OCC(CN2C(=O)C(NC2=O)(C)C)O 1 1.69 2 6 0 -13.7781707879759 2909739 C1CC(OC1)CNC(=S)NC2=CC=CC3=CC=CC=C32 1 3.779 2 1 -11.7341954237937 2909709 C1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.64 2 5 0 -10.3817771382175 2909699 CC1=C(C(C(=C(N1)SCC(=O)NC2=NC=CS2)C#N)C3=CC=CC=C3Cl)C(=O)C 1 2.777 4 2 -32.9255606711079 2909682 C1CSC(=O)C1NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.087 3 4 0 -18.2754560291413 2909654 CC1=CC(=NC(=N1)N(C#N)C(C)C(=O)N(C)C)C 1 0.362 5 1 0 -5.20650233990155 2909646 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)CC(=O)O 1 1.332 1 4 0 -9.01407970940754 2909615 CC1=CC(=NN1CC(CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3)O)C 1 2.723 3 4 0 -16.109053824771 2909609 COC1=C(C2=C3C(CC4=C2C=C(C=C4)O)NCCC3=C1)OC.Cl Cl- 1 2.789 1 3 -5.64551738501159 2909591 C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.06 3 6 0 -25.4064862944021 2909586 CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC3=NC(=O)C(S3)CC(=O)O)[N+](=O)[O-] 1 3.331 4 8 0 -22.0273311847787 2909582 C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.06 3 6 0 -23.1229791545805 2909572 C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NN=CC3=CN=CC=C3 1 1.82 5 2 0 -9.82042077827045 2909515 COC1=C(C=CC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OCC3=CC=C(C=C3)Cl 1 4.031 3 5 0 -12.7808902331481 2909519 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)Cl 1 3.262 3 2 -21.6604460927635 2909532 C1=CC=C(C(=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl)[N+](=O)[O-] 1 1.878 3 5 0 -12.2610470419281 2909533 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=C(C=C(C=C3)Cl)Cl)NCCO.Cl Cl- 1 3.474 3 2 -0.219099648091681 2909543 C1CN=C2N(C1)C3=CC=CC=C3N2CC(=O)C4=C(C=C(C=C4)Cl)Cl.Cl Cl- 1 3.83 3 1 -5.9767477840066 2909542 CC1CN(CC(O1)C)C2=NC(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)F)/S2 1 3.761 3 3 -6.06000751741323 2909538 CC1CN(CC(O1)C)C(=S)NC(=O)C2CCCCC2 1 3.352 2 2 -11.212655381661 2909438 C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4 1 4.004 1 3 -16.4521100029782 2909442 C1=CC=C(C(=C1)C2=CC=C(O2)C=NNC3=NC(=O)C(S3)CC(=O)O)[N+](=O)[O-] 1 2.915 4 6 0 -10.3936091436697 2909444 COC1=CC(=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CO4)OC 1 1.574 2 7 0 -20.5915077264746 2909454 CN(CCC(=O)OC)CCC(=O)OC.Cl Cl- 1 0.23 1 4 0 -7.07788380157048 2909456 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)C3=CC=C(C=C3)C 1 3.913 1 2 -2.33490552137044 2909436 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)Cl 1 3.262 3 2 -20.7335755266449 2909411 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C(=NC3=CC=CC=C32)C)O)C4=CC=C(C=C4)OC 1 4.113 3 4 0 -2.23686003221155 2909389 CC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2=CC=C(C=C2)Cl 1 3.897 1 3 -5.65056575549389 2909387 CCN(CC)C(=O)C(C)N(C#N)C1=NC(=NC(=N1)NC(C)C)NC(C)C 1 1.556 8 1 0 -12.1052749395775 2909386 C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=NC=C4 1 0.456 3 5 0 -18.8569838260481 2909384 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C=NC3=CC=CC=C32)O)C4=CC=C(C=C4)OC 1 3.852 3 4 0 -6.62440228480873 2909382 CCOC(=O)C1C(C(=C(NC1=O)SC)C#N)C2=CC=CC=C2F 1 2.431 2 3 -18.6073185863997 2909378 CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)OC(=O)C4=CC=CO4)C(=O)OCCOC 1 3.151 2 7 0 -31.9353599134566 2909375 CC1CN(CC(O1)C)S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CC(OC(C3)C)C 1 1.613 2 6 0 -18.2625242660224 2909374 CC(=O)NC(CCSC)C(=O)OCC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2 1 2.311 2 4 -20.1058076944379 2909351 CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC(=CC=C4)[N+](=O)[O-])C 1 3.027 3 8 0 -26.752172220923 2909350 CC(C)CCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-] 1 3.987 3 2 -14.5976917893077 2909343 COC(=O)C1=CC=C(O1)CN2C(=O)C3CCCCC3C2=O 1 1.791 1 5 0 -8.12392151177228 2909339 C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5 1 3.015 2 5 0 -12.0831451148736 2909321 CC1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=CN34)C5=CC=C(C=C5)OC 1 3.66 4 2 -14.9259660516041 2909312 COC1=C(C2=C3C(CC24C=CC(=O)C=C4)N(CCC3=C1)C(=O)C5=CC=CC=C5)OC 1 3.414 1 4 -6.53232381290012 2909291 COC1=CC=CC=C1NC(=O)CCN2C(=O)C3CC=C(CC3C2=O)Cl 1 1.536 2 4 0 -14.1251072074705 2909272 C1CC(OC1)CNC(=S)NC(=O)C2=CC=CC=C2 1 2.27 2 2 -14.7463299891411 2909267 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)CC34CCC(C3(C)C)CC4=O 1 1.177 3 4 0 -4.1083721952789 2909257 CC1(C(OC(=O)C(C1=O)(C)C)C2=CC=C(C=C2)N(C)C)C 1 3.399 1 3 -6.1700062126147 2909252 CC1=CC=CC=C1C(=O)NC(=S)NC2CCS(=O)(=O)C2 1 1.905 2 3 0 -18.3191876161163 2909240 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=C(C=C3)F 1 4.777 4 2 -8.14372987132301 2909238 CC1=CC2=C(C=C1)N=C3CCCC3=C2NC4=CC=C(C=C4)O.Cl Cl- 1 4.874 2 1 8.10619273488587 2909211 CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OC(C)C(=O)C 1 4.37 0 4 -4.57231901016135 2909205 C1COCCN1CCOC(=O)C2=CC=CS2.Cl Cl- 1 1.465 1 3 0 -7.8811385733438 2909198 CC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 3.037 3 2 -12.7249074058073 2909182 CC(=O)N1CCN(CC1)CC(=O)C2=CC=C(C=C2)Br.Cl Cl- 1 1.541 2 2 0 -5.12415416247412 2909177 CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C 1 0.89 2 5 0 -29.6904110922769 2909168 CC(C)C1=CC(=NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C=C(C1=O)C(C)C 1 4.303 2 5 0 -5.70055551632526 2909148 CC1=C(C(NC(=S)N1)C2=CC=CS2)C(=O)NC3=CC(=C(C=C3)F)F 1 3.54 3 1 -25.7191202104654 2909142 CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)OC(=O)C4=CC=CO4)C(=O)OCC=C 1 3.899 2 6 0 -33.6564104706885 2909131 CC1=CC=C(C=C1)N2C(=O)CCC2(C3=CC=CC=C3)C(=O)N 1 2.433 2 2 -3.81221300875783 2909105 C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 1.267 3 6 0 -18.5256943284127 2909103 C1CCN(C(=O)C(C1)SC2=NN=NN2C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F 1 3.772 5 2 0 -13.0334915168529 2909102 CC1=CC=CC=C1C(=O)NC(=S)NCC2CCCO2 1 2.756 2 2 -16.2527092868615 2909095 CCN(CC)CC(CN1C(=O)C(NC1=O)(C)C)O 1 0.167 3 3 0 -10.9509980120953 2909087 CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3 1 3.084 3 2 -23.4824447833503 2909086 CC1CCC2=C(C1)SC3=C2C(=NC=N3)SC4=NN=NN4C5=CC=CC=C5 1 4.833 6 0 -19.2504760559718 2909066 CC(C)CN(CC1=C(C=CC2=CC=CC=C21)O)CC(C)C 1 4.953 1 1 6.21388022779656 2909035 COCCNC(=O)C1=CC2=CC(=CC(=C2OC1=O)Cl)Cl 1 2.266 1 4 -15.269425308145 2909029 C1CS(=O)(=O)CC1NC(=S)NC(=O)C2=CC=CC=C2Br 1 2.167 2 3 -15.0109784142849 2909025 C1COCCN1CCOC(=O)CC2=CC=CC=C2.Cl Cl- 1 1.546 1 3 0 -7.22175395877931 2909007 COC1=C(C=C(C=C1)C(=O)CC2(C3=CC=CC=C3N(C2=O)CC#C)O)OC 1 2.999 1 5 -15.4109607439858 2909004 CCOP(=O)(C1=CC=CC=C1)C(C2=CC=C(C=C2)[N+](=O)[O-])O 1 2.712 1 5 -6.59853998356097 2908989 CC1CN(CC(O1)C)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.784 3 4 0 -17.976627345963 2908985 C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC=C(C=C3)F)NCC4=CC=CO4.Cl Cl- 1 3.668 4 1 2.29346752097828 2908974 CC1=CC=C(C=C1)N(CC(CN2C(=CC(=N2)C)C)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 4.134 3 3 -11.8740945634367 2908932 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC3=NC(=O)C(S3)CC(=O)O 1 2.071 4 7 0 -23.0211922034271 2908928 COC1=CC=C(C=C1)N2C(=O)CCC2(C3=CC=CC=C3)C(=O)N 1 1.93 2 3 0 -4.22517921790196 2908925 CC1=CC=C(C=C1)C(=O)NC(=S)NCC2CCCO2 1 2.756 2 2 -13.9506824216318 2908920 CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=COC=C3 1 2.64 4 2 -9.58552239293488 2908914 CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3COC4=CC=CC=C4O3 1 3.114 2 4 -17.0913789289949 2908867 CC(C)COP(=O)(C(C1=C(C=C(C=C1)OC)OC)O)OCC(C)C 1 3.089 0 6 -4.64916976776296 2908857 CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC 1 1.214 1 5 0 -15.6906023025868 2908846 C1CC(OC1)CNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.164 3 4 0 -17.3809475980664 2908833 C1=CC(=C(C=C1Cl)[N+](=O)[O-])C2=CC=C(O2)C=NNC3=NC(=O)C(S3)CC(=O)O 1 3.58 4 6 0 -6.40983882288464 2908822 CC(=O)C1=C(C(=O)N(C1C2=C(C=CC(=C2)OC)OC)CCN3CCOCC3)O 1 0.505 2 6 0 -22.0956451012186 2908809 CC1=C(C(NC(=O)N1)C2=CC=CS2)C(=O)OC(C)(C)C 1 1.842 2 3 0 -29.8082081589612 2908803 CN(C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.434 3 5 0 -21.4384134916823 2908796 CC1CN(CC(O1)C)C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.784 3 4 0 -16.6407599568856 2908777 COC1=CC=CC(=C1)C(=O)OCCN2CCOCC2.Cl Cl- 1 1.495 1 4 0 -7.50593219361579 2908742 CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=CO4)C 1 2.421 2 7 0 -23.5221695643747 2908739 CC1=CC=C(O1)C2C(=C(OC3=NNC(=C23)C4=CC=CC=C4)N)C#N 1 2.984 4 2 -9.31233727105438 2908734 C1COCCN1C2=NC(=NC3=CC=CC=C32)NC4=CC=CC=C4.Cl Cl- 1 2.591 4 1 1.63856533782894 2908732 CC1CN(CC(O1)C)C(=S)NC(=O)C2=CC=CC=C2 1 2.89 2 2 -15.3420097370377 2908726 CN1C2=C(N=C1SCCNS(=O)(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C 1 1.543 5 4 0 -16.7620060132533 2908711 CC(C)OP(=O)(C(C1=CC=CC=C1C(F)(F)F)NC2=CC=CC=C2)OC(C)C 1 5.13 1 3 -6.32739700489191 2908710 CCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.066 4 2 -9.59003610854176 2908705 CCOC1=C(C=CC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OCC3=C(C=C(C=C3)Cl)Cl 1 5.044 3 5 0 -12.8682176019239 2908698 CC(=O)OC1C2CCC1C(CC2)[NH+]3CCCC3.[Cl-] Cl- 1 0.493 1 2 0 -8.53832063906169 2908682 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-] 1 3.96 5 2 0 -9.96730478563542 2908678 CCCCN1C2=CC=CC=C2N=C1NC(=O)C3CCCCC3 1 4.668 3 1 -5.58406195273976 2908677 C1COCCN1CCOC(=O)C2=CC(=CC=C2)F.Cl Cl- 1 1.717 1 3 0 -5.79164386955638 2908676 CC1CN(CC(O1)C)C(=S)NC(=O)C2=CC=C(C=C2)Cl 1 3.554 2 2 -12.7243634789415 2908640 CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4.Cl Cl- 1 3.949 4 1 1.58159049551303 2908637 CCC1CCCCN1C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 4.16 3 3 -15.3469913835254 2908636 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC(=CC=C3)Br)NCCCO.Br Br- 1 2.956 3 2 -3.43915794780843 2908635 CC1(C(OC(=O)C(C1=O)(C)C)C(=O)C2=CC=CC=C2)C 1 3.016 0 4 -3.03772537097814 2908593 CCN(CC)C(=S)NC1=CC=C(C=C1)[N+](=O)[O-] 1 3.64 3 2 -10.6087643594285 2908592 CC1=CC(=C(C=C1)NC(=O)C2(CCOCC2)C3=CC=CC=C3)[N+](=O)[O-] 1 3.137 2 4 -11.8928078045305 2908590 CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC(=C(C=C3)O)OC)C(=O)CCC2 1 0.989 4 3 0 -18.4875554450089 2908586 CC(C)COP(=O)(C(C1=CC2=C(C=C1)OCO2)NC3=CC=CC=C3)OCC(C)C 1 4.887 1 5 -8.16133609769055 2908583 CCSC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N 1 3.134 4 1 -21.9920996168675 2908562 C1COCCN1C(=O)OC2=CC=CC(=C2)C3C(=C(OC4=NNC(=C34)C5=CC=CC=C5)N)C#N 1 3.312 5 4 0 -14.6392038171855 2908561 C1CS(=O)(=O)CC1NC(=S)NC(=O)C2=CC=CS2 1 1.372 2 3 0 -16.5375971220335 2908542 CCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)Br 1 2.435 1 4 -16.8393888784226 2908527 C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NN=CC3=CC=CO3 1 2.366 4 3 0 -10.1796719716986 2908518 CC1=NC(=CC=C1)NC(=O)C2COC3=CC=CC=C3O2 1 2.058 2 3 -1.79833764012482 2908498 CC(CCC1=CC=CC=C1)NC(=O)C(=O)N2CCOCC2 1 1.359 2 3 0 -12.7864049272576 2908475 C1CS(=O)(=O)CC1NC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3 1 1.949 1 4 0 -13.6464149918514 2908466 C1=CC(=CC(=C1)S(=O)(=O)NC2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 1.846 4 5 0 -11.6523893696402 2908462 C1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC=CO4 1 1.585 3 4 0 -13.6415926068416 2908461 CC1=CC(=C(C=C1)NC(=O)C2=C(NC(=O)NC2C3=C(C=CC(=C3)OC)OC)C)C 1 2.933 3 4 0 -32.6423783197072 2908445 CC1=C(OC2=CC=CC=C12)C(=O)NC3CCS(=O)(=O)C3 1 1.626 1 4 0 -5.52568097453709 2908438 CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC(=CC=C4)Cl)C 1 3.797 2 6 0 -21.7316623776545 2908424 COC1=CC=C(C=C1)CC(=O)N2CCC(C2)C3=CC=CC=C3 1 3.074 1 2 -5.2271185504308 2908421 CCN(CC)C(=O)C(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl 1 3.296 1 4 -7.54295515964532 2908418 C1=CC=C(C=C1)N(CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)S(=O)(=O)C5=CC=CC=C5 1 5.36 2 3 -2.52418896172169 2908377 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=NNC3=NC(=O)C(S3)CC(=O)O 1 2.071 4 7 0 -22.7999269988611 2908370 C1CSC(=O)C1NC(=S)NC(=O)C2=CC=CS2 1 2.146 2 2 -15.3656272238536 2908342 CCC(=NO)C1=C(C=C(C=C1)OCC=C)OC 1 2.888 1 3 -4.66760366292758 2908341 CCC1CCCCN1C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 4.16 3 3 -14.011123994448 2908329 C1CCN(C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.403 3 2 -12.7711159110398 2908326 CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C#N 1 2.61 2 3 -27.7786202254221 2908324 CCOP(=O)(C(C1=C(C=CC(=C1)OC)OC)NC2=CC=CC=C2)OCC 1 3.4 1 5 -8.7434706821053 2908311 CC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4.Cl Cl- 1 3.949 4 1 0.779764138359357 2908294 CC1=CC2=C(C=C1)N=C3CCCC3=C2NC4=CC=C(C=C4)OC.Cl Cl- 1 5.1 2 1 5.81335241460258 2908286 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)OC(=O)C4=CC=CO4 1 3.94 4 4 0 -12.7670033287582 2908274 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=NN(C=C3Br)C 1 4.067 3 3 -16.704416176945 2908270 CCCCNC(=O)C(=O)NC(C)CCC1=CC=CC=C1 1 2.794 2 2 -14.2889393926526 2908263 CN(CCOC(=O)C1=CC=CC=C1)CC2=CC=CC=C2.Cl Cl- 1 3.407 1 2 -1.31326429398462 2908258 CC(C)CN1C2=CC=CC=C2N=C1S(=O)(=O)O 1 2.617 2 3 -8.42830216271663 2908243 CCOC1=C(C=CC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OS(=O)(=O)C3=CC=C(C=C3)C 1 3.769 3 7 0 -21.7578684845492 2908237 CC(C)C1=CC=C(C=C1)OCC(C)NC(=O)C2=CC=C(O2)Br 1 4.205 1 3 -8.08132292050392 2908235 CC1=CC=C(C=C1)NC(=O)C(=O)NCC2C3=CC=CC=C3CCO2 1 2.346 2 3 -16.1534665585027 2908222 CC(=O)OC1C2CCCC1C(CC2)[NH+]3CCCC3.[Cl-] Cl- 1 0.949 1 2 0 -8.12847018113175 2908211 CCN(CC)C(=O)COC1=C(C2=C(C=C1)C3=C(CCCC3)C(=O)O2)C 1 3.766 1 4 -13.7140933486474 2908208 COC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C#N 1 2.317 2 5 0 -38.0253664626066 2908197 C1CN(CC1C2=CC=CC=C2)C(=O)C3=CC=CS3 1 3.009 1 1 -7.44310146453947 2908195 CC(CCC1=CC=CC=C1)NC(=O)C(=O)NCC2=CC=CC=C2 1 3.049 2 2 -12.0418257679989 2908193 C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)Br 1 2.914 2 4 -21.5844444788132 2908188 CC1=CC(=C(C=C1)C2=CC=C(O2)C=NNC3=NC(=O)C(S3)CC(=O)O)[N+](=O)[O-] 1 3.401 4 6 0 -8.56895468038582 2908183 C1CS(=O)(=O)CC1NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.313 3 5 0 -19.4474259273212 2908178 CC1(CCCC2=C1CC3C(C2)C(=O)N(C3=O)CC4=CN=CC=C4)C 1 2.759 2 2 5.22335929162524e-002 2908174 C1C(C(=C(NC1=O)SCCCC#N)C#N)C2=CC=CC=C2Cl 1 3.01 3 1 -15.3105546075891 2908173 CC1=CC2=C(C3=CC=CC4=C3C(=CC=C4)C2=O)OC1N(C)C 1 3.434 1 2 2.78328441937757 2908166 CC1=C(SC2=C1C(=O)N(C(=N2)SC3CCOC3=O)CC=C)C 1 2.995 2 3 -17.9685174057282 2908155 CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)N)C(=O)OCC 1 1.412 3 5 0 -28.334921788462 2908152 C1CS(=O)(=O)CC1NC(=S)NC(=O)C2=CC=CC=C2 1 1.419 2 3 0 -16.8128083183959 2908151 COC1=C(C=C(C=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OS(=O)(=O)C3=CC=CC=C3 1 2.934 3 7 0 -21.1685303808627 2908119 CC1=C(C(NC(=O)N1)C2=CC=CS2)C(=O)NC3=C(C=CC(=C3)OC)OC 1 1.808 3 4 0 -31.8398358159921 2908110 C1CC(OC1)CNC(=S)NC(=O)C2=CC=CC=C2Br 1 3.018 2 2 -12.9445000850302 2908089 COC1=C(C=C(C=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OCC3=C(C=C(C=C3)Cl)Cl 1 4.695 3 5 0 -11.8626777763645 2908084 CC(CS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])N2CCOCC2 1 1.454 2 5 0 -12.1007599754334 2908060 COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3 1 2.581 3 3 -23.8954109924944 2908053 CC1=CC(=NN1CC(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O)C 1 2.739 3 3 -12.6956776697168 2908011 CC1=CC=C(C=C1)C2=NC(=C(O2)NCCCN3C=CN=C3)C#N 1 2.183 5 1 2.74059848406395 2908008 C1CN=C2N(C1)C3=CC=CC=C3N2CC(C4=CC=C(C=C4)Br)O.Cl Cl- 1 3.067 3 1 -6.59215139603 2908002 COC1=CC=C(C=C1)N(CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)S(=O)(=O)C5=CC=CC=C5 1 5.344 2 4 -2.1419236204698 2908001 COC1=C(C=CC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OCC3=CC(=CC=C3)Cl 1 4.031 3 5 0 -12.6522180737112 2907988 CC1=CC(=C(C=C1NC(=O)C(C)C)Cl)[N+](=O)[O-] 1 3.124 2 3 -10.777142480232 2907979 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCOCC3 1 1.8 3 6 0 -22.3591120795591 2907974 C1COCCN1CCOC(=O)C2=CC3=C(C=C2)OCCO3.Cl Cl- 1 1.297 1 5 0 -9.83282056539568 2907971 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OC(=O)N4CCOCC4)C(=O)C1)C 1 1.967 3 5 0 -23.6691000791171 2907969 C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=NC=CS4 1 2.237 3 3 -9.50540429637149 2907963 CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=CC=C(C=C3)F)C(=O)C1)C 1 1.911 4 1 0 -19.4131789868123 2907946 CN(CCOC(=O)C1=CC2=C(C=C1)OCCO2)CC3=CC=CC=C3.Cl Cl- 1 3.193 1 4 -4.75574994690911 2907936 C1CC(OC1)C(CC(=O)O)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.007 1 4 -9.51020752778274 2907931 C1CC(OC1)C(CC(=O)O)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.394 1 4 -12.2559314241941 2907924 COC1=C(C=C(C=C1)[N+](=O)[O-])COC2=CC3=C(C=C2)C4=C(CCCC4)C(=O)O3 1 4.778 1 6 0 -12.4439258345184 2907920 COC1=CC=CC=C1CC(CC2=NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5N4 1 5.196 4 1 -1.16757194860188 2907916 CC1=NC2=CC=CC=C2N1CC(CN(C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4)O 1 3.627 3 4 0 -3.1129860741263 2907915 CN(C)C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C3CCCCC3=O 1 4.632 1 2 -7.70198904395415 2907871 CC(C)COP(=O)(C(C1=CC(=C(C(=C1)OC)OC)OC)O)OCC(C)C 1 3.073 0 7 0 -7.59760387745468 2907858 CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=CSC=C3)C(=O)C1)C 1 1.368 4 1 0 -21.5523208311111 2907831 COC1=CC=CC=C1NC(=O)C(=O)NC2=CC=CC=N2 1 1.253 3 3 0 -7.41593480080925 2907817 CC1=CC(=C(C=C1)C)NC(=O)C(CC(=O)O)C2CCCO2 1 2.038 1 4 -14.8658658769314 2907798 CCCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC 1 2.126 1 5 -17.4634864123395 2907794 C1COCCN1CCCN2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=CC=C4F 1 1.875 2 5 0 -21.3515068201735 2907787 CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=CN=CC=C3)C(=O)C1)C 1 0.555 5 1 0 -19.9184284119128 2907785 CCSC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CN=CC=C4)N)C#N 1 3.592 4 1 -23.5068803797421 2907764 C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CC=C5.Cl Cl- 1 4.451 5 0 6.99471900109367 2907750 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC3=NC(=O)C(S3)CC(=O)O 1 3.437 3 6 0 -19.1904414160664 2907746 CCOC(=O)C1=C(SC2=C1CCC2)N=CN(C)C 1 2.255 2 2 -8.77344713730714 2907732 C1CN(CC1C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)Br 1 3.64 1 2 -2.92334390114488 2907731 CC1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C)C)C 1 4.268 2 4 -16.5167863012332 2907730 CCOP(=O)(C(C1=C(C=C(C=C1)OC)OC)O)OCC 1 1.403 0 6 0 -4.3432223043473 2907720 C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.492 4 4 0 -25.5768425707075 2907716 CN1C2=C(C=C(C=C2)C=NNC3=NC(=O)C(S3)CC(=O)O)N(C1=O)C 1 1.09 5 4 0 -17.2306330056137 2907706 C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC=CO4 1 1.479 4 6 0 -17.4697496232354 2907688 C1CC(OC1)CNC(=S)NC(=O)C2=CC=CS2 1 2.223 2 2 -14.4711187927787 2907680 C1COCCN1CCNC(=S)NC2=CC=CC3=CC=CC=C32 1 3.247 3 1 -10.4080747389831 2907678 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NCC3COC4=CC=CC=C4O3 1 2.383 3 3 -7.3063554886156 2907665 C1CCC(CC1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.575 4 2 -9.04658395334274 2907657 C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-] 1 4.6 3 2 -14.3850221626923 2907640 CCOP(=O)(C1=CC=CC=C1)C(C2=CC=CC=C2)O 1 2.818 0 3 -6.6128795637071 2907634 COC1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)C(=O)O 1 3.958 1 7 0 -17.5284408117264 2907629 CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=C(C=CC(=C3)OC)OC)C(=O)C1)C 1 1.673 4 3 0 -21.2085865425433 2907628 CCOP(=O)(C(C1=CC(=C(C=C1)OC)OC)O)OCC 1 1.403 0 6 0 -7.49588830496246 2907601 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 2.981 3 6 0 -17.2454426141978 2907590 C1COCCN1CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 3.041 1 3 -8.5118283930205 2907578 CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)N4CCCCC4)O)C 1 2.793 1 4 -3.46375408656645 2907569 CCOC(=O)NC1=C(N=C(S1)NS(=O)(=O)C2=CC=CC=C2)C 1 1.834 3 4 0 -7.37230979443587 2907547 C1=CC=C(C=C1)CCCC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 3.456 2 3 -9.55761753509845 2907540 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C(=O)C4CC=CCC4C3=O)N5CCOCC5)Cl 1 3.796 3 4 0 -4.29889710751751 2907535 CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N 1 2.057 3 3 -4.12586551870637 2907505 CC1=C(C(NC(=O)N1)C2=CC3=CC=CC=C3C=C2)C(=O)OC 1 1.973 2 3 0 -27.1171381090647 2907489 COCC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.84 3 4 0 -5.98059311043585 2907479 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OCC=C)C(=O)OC 1 1.665 2 4 0 -35.8863741357185 2907454 CC1=CC(=C(C=C1)NC(=O)CCCC2=CC=CC=C2)[N+](=O)[O-] 1 3.942 2 3 -8.71148661747268 2907452 C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 2.262 3 3 -6.13165080624497 2907426 C1C2CC3CC1CC(C2)(C3)NC(=O)CCCC4=CC=CC=C4 1 4.128 1 1 -8.70459312579057 2907423 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCC3=CC=CC=C3 1 3.715 3 3 -5.68138225080586 2907402 CC1=CC2=C(C=C1)N(C(=O)C2(C3=CC(=C(C=C3)O)OC)C4=CC(=C(C=C4)O)OC)C 1 3.938 1 5 3.59112211028607 2907394 C1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)C(=O)N 1 2.093 3 3 -1.86593651660521 2907393 C1=CC=C(C=C1)CCCC(=O)ON=C(C2=CC(=CC=C2)[N+](=O)[O-])N 1 3.228 3 4 0 -5.39861898526129 2907379 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C3=CC=CC=C3 1 2.284 3 7 0 -22.717813300049 2907363 CCC(C)NC(=O)CCCC1=CC=CC=C1 1 3.235 1 1 -16.8018060089518 2907341 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC(=C(C=C4)NC(=O)C5=CC=CS5)Cl 1 3.089 2 3 -3.43019616336048 2907321 C1CCC2=C(C1)C=CC=C2NC(=O)CCCC3=CC=CC=C3 1 5.075 1 1 -8.83761720961162 2907271 CC1CCN(CC1)C2(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)O 1 1.625 3 4 0 -10.0466017585396 2907259 C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N 1 1.806 3 3 0 -2.71746732469744 2907250 CC1=C(C(NC(=O)N1)C2=C(C(=CC=C2)OC)OCC3=CC=CC=C3)C(=O)OC 1 2.615 2 5 0 -29.7360798604859 2907160 CC1(CC(=O)N(C1(C)O)C2=CC=CC=C2)C 1 1.604 1 2 0 -3.03718262495508 2907140 C1=COC(=C1)CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 1.3 3 4 0 -8.17665084292196 2907111 CCOC(=O)C1=C(NC(=O)NC1C2=CSC=C2)C3=CC=CC=C3 1 2.31 2 3 -22.3426442063095 2907103 CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=CC=C3 1 3.814 3 5 0 -21.2654303558989 2907099 C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N 1 0.846 4 7 0 -11.6600546848585 2907088 COCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC 1 0.564 2 5 0 -11.2418834086747 2907080 C1COCCN1CCCNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 0.424 4 4 0 -10.0673288046018 2907056 CCOC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OC)C 1 1.883 2 4 0 -30.3292182407052 2907031 C1=CC=C2C(=C1)C(=CN2)C(C3=CC=CC=N3)C4=CNC5=CC=CC=C54 1 4.742 3 0 1.06442897386888 2907007 C1CN(CCN1C2=CC=CC=N2)C(=O)COC3=C(C=C(C=C3)Br)Cl 1 3.51 3 2 -1.35294989848597 2906977 C1=CC=C2C(=C1)C(=O)N(C2=O)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N 1 1.216 4 5 0 -7.34479024712506 2906967 CC1=C(C(NC(=O)N1)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC 1 0.372 3 6 0 -28.6372678719416 2906920 C1CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC(=O)C4=CC=CS4)Cl 1 3.858 2 3 -7.40847781118443 2906865 CC1=CC(=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])Cl 1 3.643 2 4 -2.38887588295229 2906820 C1=CC=C(C=C1)CCCC(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N 1 3.228 3 4 0 -2.8276103803934 2906793 C1=CC(=CN=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N 1 0.968 4 3 0 -5.77668213739277 2906779 COCCCNC(=O)COC1=C(C=C(C=C1)Br)Cl 1 2.217 1 3 -10.3356328618871 2906776 COC1=CC=CC=C1C(=O)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC 1 4.401 4 3 0 -8.45085816567241 2906742 CC(C)CNC(=O)CCCC1=CC=CC=C1 1 3.177 1 1 -12.5816321854773 2906737 CN1C2=C(C=C(C=C2)Br)C(C1=O)(C3=CC(=C(C=C3)O)OC)C4=CC(=C(C=C4)O)OC 1 4.2 1 5 4.73174018455714 2906697 CC1=C2C(=CC(=C1)Br)C(C(=O)N2)(C3=CC(=C(C=C3)O)OC)C4=CC(=C(C=C4)O)OC 1 4.481 1 5 1.99647638224972 2906693 C1COCCN1CCCNC(=O)CCCC2=CC=CC=C2 1 1.874 2 2 0 -14.281193547416 2906692 CC(C)C(=O)NCCCC1=CC=CC=C1 1 2.864 1 1 -10.8765154131689 2906667 CC1=CC(=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)Cl 1 4.331 1 1 -2.50652498673343 2906660 CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C(=C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC 1 2.633 3 7 0 -22.9428592844446 2906658 CCCCOC1=CC=CC=C1C2C(CCC(=O)N2)[N+](=O)[O-] 1 2.692 2 4 -13.2357670589876 2906652 C1C(=O)NC(=O)N(C1=O)CCC2=CC=C(C=C2)F 1 1.268 2 3 0 -6.43743832918331 2906651 COC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 1 1.437 1 6 0 -18.3259433317538 2906636 C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)[N+](=O)[O-] 1 4.291 4 4 0 -15.6162151958092 2906627 CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1Br 1 4.917 3 1 -17.0394199971884 2906626 C1CC(=O)NC(C1[N+](=O)[O-])C2=C(C=C(C=C2)Cl)Cl 1 2.708 2 3 -7.16553157166229 2906607 C1CCCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 1 2.474 2 3 -5.34472607278325 2906606 C1CC(OC1)CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.227 3 3 0 -10.4746225227579 2906598 COC1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 1 1.189 1 6 0 -14.8218722186385 2906596 C1CC(OC1)CN2C(=O)C3CC=CCC3C2=O 1 0.793 1 3 0 -8.53092606636065 2906587 COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)OC 1 2.702 2 5 0 -12.7922591662938 2906583 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O 1 2.345 3 5 0 -3.83430302844265 2906569 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O 1 3.183 1 4 1.08955010946624 2906561 CC1=CC(=NO1)N2C(=O)C3C4CCC(C4)C3C2=O 1 1.27 2 3 0 -7.80315733090079 2906559 CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3 1 2.417 4 3 0 1.79002650797614 2906552 CC1=C(N=CC=C1)NC(=O)C2COC3=CC=CC=C3O2 1 2.262 2 3 -2.66099992209503 2906550 C1CCC(=O)C(C1)C(CC(=O)C2=CC=CO2)C3=CC=CC=C3 1 3.865 0 3 -7.23299207845743 2906544 C1=CC=NC(=C1)N(C2=CC=CC=N2)C(=O)C3=CC=CO3 1 2.569 3 2 -5.31383838882461 2906540 C=CCSC1=NC(=C(C2(C1C(=O)N)CCCCC2)C#N)N 1 1.835 4 1 0 -12.1400581093183 2906530 CCOC(=O)N1CCN(CC1)CC(COC2=C(C=C(C=C2)OC)C(C)(C)C)O.Cl Cl- 1 3.034 2 5 0 -5.87277409197621 2906514 CC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC(=CS3)C4=CC5=CC=CC=C5OC4=O 1 5.517 2 2 2.7498436310771 2906508 CC1(NC(=S)N(N1)C2=CC=C(C=C2)Cl)CCC3=CC=CC=C3 1 5.115 3 0 10.1482302040007 2906493 CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3 1 2.635 4 4 0 -15.6536254227947 2906489 C1CC=CC(C1)N2C(=NNC2=S)C3=CC=CC=C3 1 3.65 3 0 -2.69112885529076 2906485 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC(=CC=C2)Br 1 2.128 2 3 -8.7365218358753 2906474 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OC(C)C(=O)C 1 3.898 0 5 -2.99551702910939 2906471 COC(=O)C1=C(SC2=C1CCCC2)N3C(=O)CC(C3=O)SC4=CC=CC=C4C(=O)O 1 3.722 1 6 0 -10.26427527354 2906466 COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)OC 1 3.642 1 4 -3.09440281081619 2906463 C1CCN(CC1)C(=S)NC2CCS(=O)(=O)C2 1 1.618 2 2 0 -17.3919322789114 2906460 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4 1 3.828 4 4 0 -3.57372808634641 2906440 CCCCSC1=NC(=O)C=C(N1CC)O 1 2.777 2 2 -8.92333660974351 2906436 CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-])C 1 4.033 5 4 0 -15.7914110236495 2906427 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)NC5=CC=CC=C5 1 2.471 2 3 -5.13433954777413 2906421 CC1=C(CC(=O)N1CC2CCCO2)C(=O)OC 1 0.137 1 4 0 -15.7108697174763 2906410 CC1=CC=CC=C1NC(=S)NC2(CCS(=O)(=O)C2)C 1 2.711 2 2 -12.0877431406462 2906407 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O 1 2.593 3 5 0 -6.05911474940453 2906400 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC=C3F 1 4.176 4 3 0 -10.9282484389577 2906399 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-] 1 0.894 3 4 0 -12.9822500374251 2906396 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC=C(C=C3)F 1 4.176 4 3 0 -9.11149663790365 2906391 CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC(C)C3=CC=CC=C3 1 3.012 4 4 0 -15.1158694352863 2906388 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=S)NC5=CC=C(C=C5)Cl 1 5.259 4 2 -9.37763901166627 2906369 C1CS(=O)(=O)CC1N(CCO)C(=O)NC2=CC=CC3=CC=CC=C32 1 1.028 2 4 0 -10.9515744684279 2906368 COC1=CC(=C(C=C1C2C(CCC(=O)N2)[N+](=O)[O-])OC)Br 1 2.095 2 5 0 -13.1616645150382 2906361 CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)C 1 3.669 1 4 -0.582038992870805 2906356 CCCC1=C(C(NC(=O)N1C)C2=CC=CC=C2OCC)C(=O)OCC 1 2.931 2 4 -18.7063467886733 2906351 CN1C(=O)C(C(=O)N(C1=O)C)CC2=CNC3=CC=CC=C32 1 1.609 3 3 0 -5.97245600742363 2906336 CCC1C(=O)N(C(=NN=CC2=CC=CO2)S1)C3=CC=C(C=C3)F 1 4.342 3 2 -5.55749785110217 2906318 C1CC(=O)NC(C1[N+](=O)[O-])C2=C(C=CC(=C2)Br)F 1 2.333 2 3 -7.80746382420124 2906314 C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Cl 1 3.61 2 2 -6.90173605046712 2906313 CCCSC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CN=CC=C3)C#N 1 3.91 3 2 -20.8379404717048 2906288 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CC(=O)OCC(=O)C5=CC=CC=C5 1 1.205 1 5 0 -15.2755965256388 2906267 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC=CC=C2Br 1 2.128 2 3 -9.2508086082565 2906262 C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4 1 2.232 4 5 0 -8.44033993566727 2906255 C1CCCC(=NN=C2N(C(=O)C(S2)CC(=O)O)C3=CC=CC=C3)CCC1 1 4.236 3 3 -13.3240385610681 2906254 CCCSC1=C(C(=CC(=N1)C)C)C(=O)N 1 2.403 2 1 -7.89742068432919 2906251 CC1(CCS(=O)(=O)C1)NC(=O)NC2=CC(=CC=C2)N(C)C 1 0.821 3 3 0 -9.99979192173802 2906243 CC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.457 4 3 0 -9.64552278911091 2906240 CC1=CC=C(O1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OC5CCCC5)C 1 3.868 1 4 -44.8240601189752 2906224 COC1=CC=CC=C1NC(=O)C(=O)NCC2COC3=CC=CC=C3O2 1 1.751 2 5 0 -14.1067941208526 2906215 COC1=CC=CC=C1NC2CS(=O)(=O)C=C2 1 1.002 1 3 0 -0.916537457414331 2906211 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 3.572 2 4 -12.279987729223 2906209 COC1=CC=C(C=C1)NC(=S)NC2CCS(=O)(=O)C2 1 2.003 2 3 -14.3390735823565 2906204 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)CC4=NC(=CS4)C5=CC6=CC=CC=C6OC5=O 1 5.061 2 4 -0.239184011978894 2906199 CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 1 2.424 1 5 -14.0186284593942 2906195 C1=CC=C(C=C1)S(=O)(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F 1 3.035 3 4 0 -7.50765566126966 2906194 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)C4=CC=CC=C4 1 3.341 4 4 0 -4.46676988038054 2906191 C1CCCN(CC1)C(=S)NC2CCS(=O)(=O)C2 1 2.074 2 2 -17.3919322789114 2906189 C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.593 2 3 -10.3163259547178 2906175 C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 4.321 3 4 0 -7.92233979531087 2906152 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CCC(=O)OCC(=O)C5=CC=CC=C5 1 1.453 1 5 0 -18.7796676387541 2906144 CC1CC(=NN2C(=O)CSC2=S)CC(C1)(C)C 1 3.23 2 1 -10.2973537180213 2906140 COC1=CC=C(C=C1)COC2=CC3=C(C=C2)C=CC(=O)O3 1 3.45 0 4 -3.63574269200721 2906114 CC1(CCS(=O)(=O)C1)NC(=O)N2CCCCC2 1 0.205 2 3 0 -10.6213225257766 2906112 COC(=O)C1=CN(C=C(C1C2=CSC=C2)C(=O)OC)CC3CCCO3 1 1.401 1 5 0 -16.9654371801881 2906090 C1CCC2(CC1)C(C(=NC(=C2C#N)S)N)C3=NC(=CS3)C4=CC=CC=C4 1 4.393 4 0 -1.11332475664887 2906081 C1=COC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.527 4 4 0 -4.74879521253259 2906079 CC1(NC(=S)N(N1)C2=CC=CC=C2)CCC3=CC=CC=C3 1 4.45 3 0 7.77189685622344 2906078 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 3.953 4 5 0 -12.1558035043232 2906063 C1CC(OC1)CNC(=O)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 1.437 2 4 0 -16.1570971632161 2906056 C1CC2CC1C3C2C(=O)N(C3=O)CC(=O)N4CCN(CC4)CC5=CC=CC=C5 1 1.361 3 3 0 -8.59918354069682 2906053 C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC(=O)N 1 1.077 2 3 0 -10.8445472378097 2906052 C1CS(=O)(=O)CC1NC(=S)N2CCOCC2 1 0.389 2 3 0 -18.960228728687 2906049 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 2.712 5 4 0 -16.1878227333933 2906039 C=CCNC(=S)N(CC=C)C1CCS(=O)(=O)C1 1 1.935 2 2 0 -23.6324072760761 2906036 CCOC12NC(=O)CC(=O)N1C(=CS2)C3=CC=CC=C3 1 2.365 2 3 -3.96918356800184 2906028 CC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CC=CC=C3OC(C)C)C 1 4.242 1 2 -8.47052377097238 2906013 C1CS(=O)(=O)CC1NS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 0.435 2 4 0 -17.6904800542132 2906007 CCOC(=O)N1CCN(CC1)CC(COC2=CC=CC=C2C(C)(C)C)O.Cl Cl- 1 3.05 2 4 -6.5600013941404 2905997 C1CS(=O)(=O)CC1NC(=S)NC2=CC=C(C=C2)Cl 1 2.684 2 2 -12.1041086826255 2905983 CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3 1 1.135 5 4 0 -13.7107332536957 2905975 CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1Br 1 4.25 3 1 -15.717393831333 2905959 CC1(CCS(=O)(=O)C1)NC(=S)N(C)C 1 0.906 2 2 0 -11.1026685045284 2905953 CC1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.205 2 3 -9.35081799119721 2905939 C1CN(CCN1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3 1 1.878 4 4 0 2.60189112280111 2905938 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC=C(C=C2)C(F)(F)F 1 2.322 2 3 -4.66146730086265 2905937 CC1=CC(=NO1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46 1 2.938 2 3 -9.13322752904121 2905930 C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)CN5CCOCC5 1 1.641 3 4 0 -15.9018246209727 2905926 COC1=CC(=C(C=C1)OC)C2C(CCC(=O)N2)[N+](=O)[O-] 1 1.347 2 5 0 -11.5857550859879 2905920 C1CCC2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4 1 3.24 2 3 -7.22031611625768 2905912 CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C#N)SCC)C3=CC=CC=C3 1 3.386 3 2 -20.1394291956587 2905904 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(C)OC(=O)C 1 1.202 1 5 0 -7.78993539328784 2905902 CC1=CC(=O)C2=C(N1)C=CC(=C2)Br 1 2.475 1 1 -4.01527611218726 2905898 CC1=CC=C(C=C1)C(=O)CSC2=NC(=C(C3(C2C(=O)N)CCCCC3)C#N)N 1 2.96 4 2 -9.16164152305948 2905896 CC1(CCS(=O)(=O)C1)NC(=O)N2CCOCC2 1 -1.025 2 4 0 -12.1896189755522 2905883 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 1.933 2 6 0 -14.2647108981135 2905874 CCOC(=O)C1CCCN(C1)C(=O)CCC2=CC=CC=C2 1 2.546 1 3 -12.0689452711073 2905858 CC1C(=O)N=C(S1)NC(=O)C2=CC=CO2 1 1.633 2 3 0 -8.58736528560978 2905832 C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NC4=NC=CS4 1 2.579 3 3 -13.5455334446973 2905818 CCOC(=O)CCC(=O)N(CCN(C1=CC=CC=C1)C(=O)CCC(=O)OCC)C2=CC=CC=C2 1 2.97 2 6 0 -13.4787868177764 2905816 C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N5CC(SC5=N4)C(=O)O 1 3.403 2 3 -10.7196874263838 2905811 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4[N+](=O)[O-] 1 2.447 3 5 0 -5.8859230198869 2905793 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C4=NON=C4C(=C3)N5CCCCCC5)[N+](=O)[O-] 1 3.308 7 4 0 -6.04345835838709 2905787 CCCC(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F 1 3.092 2 3 -10.2976908614555 2905772 CCOC(=O)CC1=CSC(=N1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 0.201 6 5 0 -26.3439864631318 2905751 CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-])C 1 1.758 5 3 0 -7.69458470807732 2905749 CCCC(C)C(=O)NCC1=CC=NC=C1 1 1.848 2 1 0 -10.8265303328061 2905744 CCOC(=O)C1CCCN(C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 -2.3e-002 5 5 0 -26.8693856276443 2905735 C1CSC(=O)C1NC(=O)CCC2=CC=CC=C2 1 1.81 1 2 0 -16.8791481505309 2905732 CCCC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C 1 2.112 2 2 -12.3444380702771 2905718 CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O 1 4.777 1 4 0.668965510135029 2905704 CC1=CC=CC=C1NC2=C(C3=NON=C3C(=C2)N4CCCC4)[N+](=O)[O-] 1 3.953 5 3 0 6.67447864105934 2905689 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=CC=N3 1 2.142 3 3 -0.436690093979671 2905685 CCOC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)OCC 1 2.387 1 4 -10.1508816471359 2905683 C1CSC(=O)C1NC(=O)CC2=CC=C(C=C2)Br 1 2.102 1 2 -13.549648172944 2905682 CC1=CC(=NO1)NC(=O)CC2=CC=C(C=C2)OC 1 1.771 2 3 0 -14.1972689520208 2905677 CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 5.059 1 2 -11.434735763692 2905675 C1=COC(=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.043 2 4 0 -11.6925383343358 2905662 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OCC(=O)NC)S(=O)(=O)N 1 2.754 5 4 0 -17.8480103760823 2905661 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C 1 2.435 2 5 0 -13.5513955155665 2905660 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 3.422 2 4 -14.972901951065 2905654 CCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C 1 3.111 3 1 -3.79910003561558 2905643 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3OC 1 4.037 4 3 0 -8.91187295715868 2905641 CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-] 1 3.248 3 3 -1.4550119045256 2905629 CCOC(=O)C1CCCN(C1)C(=O)CC2=CC=C(C=C2)Cl 1 2.754 1 3 -10.4106290404942 2905613 COC1=CC=CC=C1CC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.408 1 4 -13.0240940347611 2905606 CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 0.846 4 3 0 -3.15224541023131 2905590 CC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC=CC=C2Cl 1 4.674 2 2 -4.05670110099112 2905580 C1=CC(=CC=C1CC(=O)NC2=NC=C(S2)[N+](=O)[O-])Cl 1 2.33 3 3 -1.0328682252757 2905565 CCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=O)S2 1 4.549 2 1 -6.24166881076264 2905562 C1CCN(CC1)CCOC(=O)C2(CCCC2)C3=CC=CC=C3.Cl Cl- 1 4.196 1 2 -3.96470499339833 2905550 CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 2.435 2 5 0 -12.8186561747329 2905535 C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)SC3=CC=CC=C3 1 3.432 2 3 -13.4005492282554 2905521 CC1C(OC(=O)C(C1=O)(C)C)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.714 1 5 -4.49144184969415 2905509 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)O)S(=O)(=O)NCCO 1 3.135 4 4 0 -8.86815442395477 2905506 CN1CCC2=CC3=C(C=C2C1C4C5=CC(=C(C=C5C(=O)O4)OC)OC)OCO3 1 3.028 1 6 0 -8.59775915890143 2905496 CC1=C(C(=CC=C1)NC2=C(C=CC3=NON=C32)[N+](=O)[O-])C 1 3.816 4 3 0 2.69374559407037 2905495 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C4=NON=C4C(=C3)Cl)[N+](=O)[O-] 1 2.436 6 4 0 -1.67977345832937 2905494 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CO2 1 1.45 1 4 0 -9.34823544521274 2905487 CCC1C(=O)N=C(S1)NC(=O)NC2CCCCC2 1 2.952 3 2 -13.2651171618143 2905480 CCCC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C 1 2.112 2 2 -12.5170116078813 2905478 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCCO 1 3.779 2 1 -1.30155059849082 2905464 CCOC(=O)C1=CC(=CC=C1)NC(=O)C(=O)OCC 1 1.504 1 5 0 -8.38725506624432 2905458 CC1=C(C(C(OC1=O)C2=CC=CC=C2)(C)C)OC(=O)C3=CC=C(C=C3)Br 1 5.245 0 4 -5.87365408259068 2905439 CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OCC 1 2.098 1 5 -17.2064846372078 2905435 CCOC(=O)C1CCCN(C1)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.83 1 3 -14.5201851701932 2905430 CC(COC)NC(=O)C(C)OC1=CC=CC=C1 1 1.604 1 3 0 -10.8316006099099 2905429 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.949 2 5 0 -11.5063359445978 2905426 CC(COC)NC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 2.544 1 3 -10.8680691584897 2905409 C1COCCN1C2=NC3=C(C=CC=C3[N+](=O)[O-])C=C2 1 1.679 3 3 0 -0.405282398840151 2905407 CCCC(C)C(=O)NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.11 3 5 0 -15.920712978671 2905400 C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=C(O3)C4=CC=CC=C4 1 3.136 3 2 -15.279519711144 2905396 CC1C2=CC(=C(C=C2CCN1C(=O)C3=CC=C(O3)Br)OC)OC 1 3.21 1 4 -17.6852185372017 2905392 CC1CCCCN1CC(COC2=CC=C(C=C2)OCC(CN3CCCCC3C)O)O 1 3.642 2 4 -5.12797183274249 2905385 CCN(CC)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)CC3=CC=CC=C3.Cl Cl- 1 5.447 3 2 -11.4144091866208 2905384 CC(COC)NS(=O)(=O)C1=CC=CC=C1 1 0.987 1 3 0 -11.1687097158356 2905372 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NN=C(O3)C4=CC=CC=C4 1 2.892 3 4 0 -0.194699441848225 2905361 CC1=CC=CC=C1N2C(=O)CC(C2=O)C3=CNC4=CC=CC=C43 1 3.264 2 2 -4.34006450770955 2905323 CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl 1 3.912 3 3 3.52791837732893 2905319 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC=C2OC3=CC=CC=C3 1 3.615 1 4 -9.94743081975713 2905318 COC1=CC=C(C=C1)C2=CC(=O)C(=C(O2)O)C(=O)C3=CC=C(C=C3)OC 1 3.321 0 6 -0.275761896532455 2905309 CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)N4CCCCCC4 1 3.245 2 3 -9.86912592560331 2905306 CC(COC)NC(=O)C1=CC=CC=C1OC(=O)C 1 1.052 1 4 0 -11.1539812535826 2905305 CCC1C(=O)N=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)Cl 1 4.09 2 2 -8.83259799816708 2905301 CCOC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 1 1.404 2 5 0 -27.679835232581 2905290 COC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 4.694 1 3 -9.60266769575842 2905281 CC(=O)NC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 3.847 2 2 -10.9200709311687 2905280 CCCC(C)C(=O)NC1=C(C=C(C=C1)Cl)Cl 1 4.321 1 1 -6.70577838651376 2905275 CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)N(C)C4CCCCC4 1 3.73 2 3 -11.6085289200076 2905263 CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-] 1 3.734 3 3 -0.476973517758633 2905262 COC1(C(=NNC(=S)N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.742 3 1 -4.15386446730757 2905249 CCCC(C)NC(=O)CC1=CC=C(C=C1)Br 1 3.527 1 1 -11.4616852505471 2905222 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(C)COC 1 2.281 1 5 -17.8563028468414 2905219 CC1CC(C2=CC=CC=C2N1)N(C3=CC=CC=C3)C(=O)C4=CC=CC=C4Cl 1 5.164 2 1 -4.0722921893841 2905215 CCC(C1=CC=CC=C1)C(=O)NCCC2=CC=CC=C2 1 3.896 1 1 -10.4338699209403 2905214 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 3.523 3 4 0 -19.7974579037296 2905205 CCC1=CC=CC(=C1N(COCC)C(=O)CN2C3=CC=CC=C3N=C2C(C)O)C 1 4.095 3 3 -10.7101801780881 2905197 CCC1=CC=C(C=C1)NC(=O)C(CC)C2=CC=CC=C2 1 4.51 1 1 -8.49973246204255 2905188 CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)Cl 1 3.906 2 3 -8.61111030690651 2905161 CCCC(C)C(=O)NC1=CC(=C(C=C1)F)Cl 1 3.862 1 1 -7.42863097967772 2905156 CCC1(CC2=CC=CC=C2C3=C1C(=O)N4CCSC4=N3)C 1 3.702 2 1 -12.7141213686453 2905142 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)Cl 1 2.719 1 3 -7.58993946665375 2905134 CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 0.939 2 5 0 -13.4647849780942 2905133 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)SC3=NC4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5 1 6.244 3 2 11.681964268706 2905116 COC1=CC=CC(=C1)N2C(=O)CC(C2=O)C3=CNC4=CC=CC=C43 1 2.762 2 3 -1.66986942413236 2905115 CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3 1 4.71 3 2 -6.20356423342187 2905111 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 2.887 2 5 0 -5.95262269920728 2905103 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(Cl)(Cl)Cl 1 2.566 2 3 -2.41106025956026 2905078 CC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 5.879 2 3 2.96856972833427 2905064 CC1CN(CC(O1)C)C(=O)C2=C(C=C(C=C2)SC)OC 1 2.212 1 3 -9.75864502074884 2905062 COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Br 1 3.241 2 4 -7.10474513152878 2905052 C1=CC=C(C=C1)CCC(=O)NC2=NC=C(S2)[N+](=O)[O-] 1 2.121 3 3 -5.50465849836855 2905048 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 0.878 2 5 0 -21.6799186583142 2905047 CCCC(C)C(=O)NC1=NN=C(S1)C 1 1.726 3 1 0 -13.7054805308672 2905038 CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)OC)OC 1 3.209 2 5 0 -13.5551378086248 2905034 CCC(C)C12CN3CCN(C1)CC(C3)(C2O)C 1 1.293 2 1 0 -1.0763066056902 2905007 CC1=C(CC(=O)N1C2CCCCC2)C(=O)OC 1 1.636 1 3 0 -11.1148336134212 2905003 CCOC(=O)C1CCCN(C1)C(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 3.315 1 4 -11.1428701966241 2904997 CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC=C4Cl 1 3.906 2 3 -10.4395291578145 2904993 CC1=CC(=NC(=N1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl)C 1 3.039 3 2 0.633651440446828 2904976 C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(C[N+]4=CC=CC5=C4C(=CC=C5)O)O.[Cl-] Cl- 1 5.229 2 2 6.15224746288449 2904956 CC(COC)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-] 1 1.179 2 4 0 -14.780773622844 2904952 CC(C)CC12CN3CCN(C1)CC(C3)C2O 1 0.987 2 1 0 -1.31963648815167 2904945 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 4.053 2 2 -11.3668431765763 2904929 CC1=C(C(=C2N1CCC2)C(=O)OC)C(=O)OC 1 1.386 1 4 0 -5.34874587387452 2904922 CN(C)S(=O)(=O)NCC1=CC2=C(C=C1)OCO2 1 0.107 2 4 0 -5.13391224930346 2904911 C1=CC(=CC=C1C(=O)N)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-] 1 1.846 5 4 0 -2.07033071385534 2904909 COC1=CC=C(C=C1)CCNCC2CCCO2.Cl Cl- 1 2.031 1 2 -2.15947197895759 2904890 CC1=CC(=CC=C1)NC(=O)C2CC(=O)NC(=N2)NC3=NC4=CC=CC=C4S3 1 2.808 5 2 0 0.315296227768116 2904885 CC1=C(C(=CC=C1)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-])C 1 3.816 4 3 0 5.45711826823083 2904876 CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)OC)Br 1 3.731 1 2 -10.0808704029935 2904872 CN1C=CN=C1C(C2=C(C=CC3=CC=CC=C32)OC)O 1 2.122 2 2 -4.49725100491602 2904859 CC1=CC(=C(C=C1)OC(C)C)CN(CCO)CCO.Cl Cl- 1 2.02 1 3 3.9909858693782 2904782 CCCC(C)C(=O)NC1CCSC1=O 1 1.697 1 2 0 -15.8797138096214 2904801 CCNCCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F.Cl Cl- 1 4.03 2 1 5.90261828055619 2904830 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.741 1 5 0 -17.8498784260454 2904821 CCOC(=O)C1CCCN(C1)C(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 3.266 2 4 -13.5787781366276 2904816 CC(=O)N1CCN(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.947 2 3 0 -15.2164445612777 2904808 CCOC(=O)CCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C 1 1.75 2 5 0 -17.8405489545958 2904746 C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N=C(N)N 1 2.174 5 0 6.47400611534549 2904745 CC1CN(CC(O1)C)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 3.799 1 2 -10.8248611187405 2904723 CC1=CC(=O)N=C(N1)SCC2COC3(O2)CCCCC3 1 2.043 2 3 -10.4553835375201 2904709 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)C 1 1.175 2 4 0 -16.1418669435321 2904660 C1=CC(=CC=C1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N 1 2.015 2 4 -4.35130750390134 2904655 CN(C)C1=CC=C(C=C1)NC(=O)C2=C(N=C(S2)SCC(=O)NC3=CC=C(C=C3)OC)N 1 3.019 5 3 0 -15.3995181368223 2904652 CCCCC(CC)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N 1 2.937 2 3 -13.8756074223479 2904617 CCC1=CC=CC(=C1N(COCC)C(=O)CN2C3=CC=CC=C3N=C2CO)C 1 3.611 3 3 -5.47006184430529 2904613 C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NN4C=NN=C4 1 1.201 5 3 0 -12.8006734021276 2904610 CCOC(=O)C1CCCN(C1)C(=O)CC2=CC(=C(C=C2)OC)OC 1 2.057 1 5 -16.5513877110833 2904589 CCCC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N 1 1.697 2 3 0 -14.997489904968 2904586 CC(C)(CO)NC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 2.005 2 4 -12.4682169215507 2904579 CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)OCO3 1 1.823 1 5 0 -11.3812550793305 2904576 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=CS3 1 2.756 3 3 -7.94675103484964 2904561 CCCCOC1=C(C=C(C=C1)C)CN(CCO)CCO.Cl Cl- 1 2.623 1 3 4.2287044766869 2904556 CC(CCC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)OC)O 1 3.518 1 3 -3.136554236842 2904534 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2 1 1.758 1 4 0 -18.4039648047725 2904517 CCC1=CC=C(O1)C(=O)NCC2COC3=CC=CC=C3O2 1 2.708 1 4 -6.48603177258908 2904514 CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C 1 2.244 1 4 -17.5079551655363 2904512 CC1=CC(=NC(=N1)N=C(N)NC2=CC=CC=C2C3=CC=CC=C3)C 1 2.757 5 0 2.935417678269 2904505 CC1=CC=C(O1)C2C(=C(C3=C(O2)CC(CC3=O)(C)C)N)C#N 1 1.172 2 3 0 -17.0081974399338 2904488 CC(CCC1=CC=CC=C1)NC(=O)C2=CC=CO2 1 3.171 1 2 -7.4688640807531 2904487 CC(COC)NS(=O)(=O)C1=CC=C(C=C1)OC 1 0.971 1 4 0 -10.5168934368341 2904476 CCOC1=CC=C(C=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-] 1 3.176 4 4 0 -0.370076246492164 2904472 CC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C 1 3.734 3 3 1.70591968674211 2904458 COC1=CC=CC(=C1)NC2=C(C3=NON=C3C(=C2)N4CCOCC4)[N+](=O)[O-] 1 2.677 5 5 0 5.13928705383961 2904408 CCOC(=O)C1CCCN(C1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C 1 2.435 2 5 0 -11.842099446355 2904447 CC1(C(OC(=O)C2(C1=O)CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C 1 4.128 1 5 -7.37479246774628 2904443 CC1=CC(NC2=C1C=C(C=C2)OC(=O)C3=CN=CC=C3)(C)C 1 3.17 2 2 -12.1318232945994 2904424 CC(COC)NC(=O)C1=CC(=C(C=C1)Cl)Cl 1 2.613 1 2 -10.0752440378145 2904389 CCC(C)C(=O)NC1=CC=CC=C1OCC 1 2.868 1 2 -11.5239095442681 2904377 CC(C(=O)N1CCCC2=CC=CC=C21)OC3=CC=CC=C3 1 3.671 1 2 -11.2131117542522 2904360 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 5.107 2 3 -9.02709698612548 2904342 CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)OC)OC 1 3.209 2 5 0 -11.6477699299578 2904340 CC1CC(CN(C1)C(=O)CCC2=CC=CC=C2)C 1 3.29 1 1 -9.56167718924711 2904303 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CS2 1 2.008 1 3 -14.764182627809 2904298 COC1=CC=CC(=C1)NC(=S)NC(=O)CC2=CC=CC=C2 1 3.784 2 2 -7.98758651212204 2904294 CCC(C)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N 1 1.569 2 3 0 -14.8100608440321 2904256 CCCC(C)C(=O)NCC1=CC2=C(C=C1)OCO2 1 2.767 1 3 -11.9977798192552 2904229 CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-] 1 1.699 3 4 0 -3.24559856002897 2904182 CCC(C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC 1 2.414 2 4 -13.2321070858847 2904165 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.949 2 5 0 -13.2882705191863 2904147 CC(COC)NC(=O)C1=CC=C(C=C1)N(C)C 1 1.446 2 2 0 -14.011794825022 2904128 CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)OC(=O)C 1 1.823 1 5 0 -11.4881645103018 2904127 CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)OC 1 3.231 3 4 0 1.29295347759797 2904126 C1CCC(C1)(C2=CC=CC=C2)C(=O)OCCN3CCOCC3.Cl Cl- 1 2.966 1 3 -6.30921101644557 2904107 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 5.676 3 3 -15.2037748384225 2904100 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C4=NON=C4C(=C3)N5CCOCC5)[N+](=O)[O-] 1 1.622 7 5 0 -7.63254448109986 2904096 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)CC2=CC=CC=C2 1 4.181 3 3 -11.3291216725647 2904078 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CC2=CC=CS2 1 2.983 2 3 -9.4749715261167 2904073 CC(COC)NC(=O)CC1=CC=C(C=C1)Cl 1 1.983 1 2 0 -9.78446797178601 2904045 C1=CC(=CC=C1CC(=O)NC2=NC=C(S2)[N+](=O)[O-])Br 1 2.414 3 3 -2.48952797037714 2904040 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 3.166 2 3 -8.71287950726753 2904033 CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3 1 3.248 3 3 0.910272119232764 2904031 C1CSC(=O)C1NC(=O)COC2=CC=CC=C2 1 1.155 1 3 0 -14.177514865706 2904015 CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 3.81 2 2 -7.10095673749016 2904011 C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br 1 4.568 1 2 1.8905025271324 2904007 CCCC(C)NC(=O)C1=C(C=CC(=C1)Cl)OC 1 3.392 1 2 -9.51739109903197 2904000 CC1CC(C2=CC=CC=C2N1C(=O)C3=CC=CO3)N(C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Cl 1 5.741 2 3 -4.78764996859313 2903990 C1CN(CCN1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)C=O 1 2.295 3 2 3.6854991018115 2903984 CC(=O)NC1C2CN3CCN(C2)CC1(C3)CC4=CC=CC=C4 1 1.043 3 1 0 -4.35775098219037 2903983 CC(COC)NC(=O)C1=CC=CC=C1[N+](=O)[O-] 1 1.179 2 4 0 -14.4637490787351 2903949 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=CNC4=CC=CC=C43 1 3.264 2 2 -1.84596408942084 2903930 C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC4=CC=CC=C4O3 1 3.096 1 4 -3.03261457133293 2903907 CCOC1=CC=C(C=C1)N/C(=C(/C(=O)C2=CC=CC=C2)\C(=O)C(=O)N3CCOCC3)/C4=CC=CC=C4 1 4.062 2 5 0 -12.1936929014894 2903906 C1=CC=C(C=C1)C2=C(NC(=O)C2=O)C3=CC=CC=C3 1 2.311 1 2 -2.55898721503582 2903904 C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC3=NN=C(O3)C4=CC=CC=C4 1 2.908 3 3 -0.336067889894561 2903883 CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-])C 1 3.789 5 4 0 -15.8539325236752 2903812 C1CN(CCC1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=C(C=C5)Cl 1 5.607 3 1 -2.85250904944505 2903746 COC1=CC=CC(=C1OC)CN2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 3.065 3 5 0 -1.78430003188871 2903740 COC1=CC=CC(=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 3.082 3 4 0 -0.817889609582534 2903539 C1CN(CCC1C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=C(C=C4)F 1 5.483 2 1 -1.25536412242168 2903535 C1CC(CC=C1)CN2CCC(CC2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4 1 5.438 2 1 -0.634092179805261 2903409 COCCNC(=O)C1CCN(CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3 1 3.02 2 3 -7.85321211106101 2903395 C1CN(CCC1C(=O)NCCC2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43 1 4.396 2 1 -2.15703496393863 2903347 COC1=CC(=C(C=C1)CN2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)OC 1 3.422 2 5 0 -8.7443937271421 2903278 C1CN(CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.704 3 3 -10.8555932751582 2903220 CC1=CC=CC=C1NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCC4 1 3.565 2 2 0.946182545719046 2903208 COC1=CC=CC(=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NCCO 1 1.526 2 4 0 3.19667167056662 2903134 C1=CC=C(C(=C1)OCC(=O)ON=C(CC2=CC=C(C=C2)[N+](=O)[O-])N)Cl 1 2.815 3 5 0 0.122240498570272 2903122 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 4.115 2 4 -7.08414016794754 2903056 CC(CNC(=O)C1=CC=C(C=C1)C(C)(C)C)CN(C)C.Cl Cl- 1 3.088 2 1 -3.31737380968552 2903052 C1=CC(=CC=C1C(=O)ON=C(C2=CC=C(C=C2)Br)N)[N+](=O)[O-] 1 3.029 3 4 0 1.76967369376753 2903046 CCOC1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-] 1 2.679 2 3 -2.10134835243997 2903043 C1COCCN1C(=S)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.63 3 3 -14.6938808749834 2903039 CN(C)C=NC1=C(C2=C(S1)CCCCC2)C#N 1 2.842 3 0 -8.47951165045045 2903036 C1CC(C1)CC(=O)NC2=CC=CC3=C2C=CC=C3[N+](=O)[O-] 1 3.212 2 3 -10.2616037875553 2903019 CC(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Br 1 4.524 1 1 -8.45707837777889 2902996 CCOC(=O)C1CCCN(C1)CCC(=O)NC2=C(C=CC(=C2)OC)OC.Cl Cl- 1 1.983 2 5 0 -8.66218701691697 2902989 CCN(CCC(=O)NC1=C(C=CC(=C1)OC)OC)CC2=CC=CC=C2.Cl Cl- 1 3.104 2 3 -7.17823169905112 2902985 CCOC1=CC=CC(=C1)C(=O)N2CCCCC2C3=CN=CC=C3 1 2.955 2 2 -3.1097751726099 2902982 C1CCCN(CC1)CCC(=O)NC2=CC=C(C=C2)F.Cl Cl- 1 2.783 2 1 -2.71267531072597 2902981 COC(=O)C1C(C=CC(C1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.455 0 4 -0.279069812227358 2902977 C1C=CCC(C1C(=O)NCC2=CC=C(C=C2)Cl)C(=O)O 1 2.488 1 3 -6.12880488979139 2902976 CCOC(=O)N1CCN(CC1)CCC(=O)NC2=C(C=C(C=C2)OC)OC 1 1.38 3 5 0 -9.96053395500074 2902958 CCCCN1C=NC2=C(C1=N)C3=C(S2)CCCC3 1 3.509 3 0 -9.3795961912709 2902955 CCC(C)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.274 3 3 0 -22.4155113687736 2902952 C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=N3 1 2.403 4 2 -2.59568269123123 2902946 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC 1 1.899 1 3 0 -7.67257931604146 2902942 CCCOC1=C(C=C(C=C1)C2=CSC(=N2)N)[N+](=O)[O-] 1 2.778 3 3 4.06266359950993 2902910 C1=CC=C(C=C1)C(CC(=O)NCC2=CC=CC=C2Cl)C3=CC=CC=C3O 1 4.818 1 2 -11.1719420519282 2902883 CC1=CC=CC=C1NC(=O)CCN2CCCC2.Cl Cl- 1 2.151 2 1 -5.63477659801543 2902872 CC(C)(C)NC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2O 1 3.502 1 2 -10.553690067434 2902858 CC(C)CC(C(=O)OCC(=O)C1=CC=C(C=C1)OC)N2C(=O)C3=CC=CC=C3C2=O 1 3.524 1 6 0 -17.7933177492847 2902841 CC1=CC(=CC=C1)NC(=O)CCCC(=O)OC(C)C(=O)C2=CC=CC=C2 1 3.703 1 4 -13.0913670206866 2902839 C1CCCN(CC1)CCC(=O)NC2=CC(=CC=C2)Cl.Cl Cl- 1 3.242 2 1 -0.675683079485774 2902827 CC1=CC2=C(C=C1)C(CC(=O)O2)C3=CC=CC=C3 1 3.693 0 2 0.120061994643028 2902822 CCC1CC(OC1=O)CSC2=NC=NN2 1 1.715 3 2 0 -9.56407565990858 2902809 CC(C(=O)C1=CC=CC=C1)OC(=O)CCCC(=O)NC2=CC=CC=C2OC 1 3.201 1 5 -18.5107031434236 2902800 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.428 2 4 0 -17.0373358808165 2902788 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CO3 1 1.739 2 3 0 -12.1486593029265 2902775 CCN1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)Br.Cl Cl- 1 2.259 3 1 -3.32624151759853 2902766 CCN1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)OCO3.Cl Cl- 1 1.278 3 3 0 -6.64815002834578 2902755 COC1=C(C=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3)CSC5=NC6=CC=CC=C6S5.Cl Cl- 1 6.267 3 1 -14.2606072050713 2902741 CCOC(=O)C1CCCN(C1)CCC(=O)NC2=CC=CC=C2C.Cl Cl- 1 2.502 2 3 -8.63661231603018 2902740 C1CCC(CC1)N2C(=O)C3C(C=CC(C3C2=O)C4=CC=CC=C4)C5=CC=CC=C5 1 4.861 1 2 -1.16815419573845 2902728 CC1CN(CC(O1)C)CCC(=O)NC2=CC(=C(C=C2)Br)C.Cl Cl- 1 2.881 2 2 -8.81646462764074 2902717 CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)OCC 1 3.812 0 5 -11.4256421327307 2902693 CC1CN(CC(O1)C)CCC(=O)NC2=CC(=CC(=C2)OC)OC 1 1.614 2 4 0 -12.3265358948916 2902684 CCS(=O)(=O)N1CCN(CC1)C(C)CCC2=CC=CC=C2 1 2.414 2 2 -18.2412619420371 2902679 CC1=CC=C(C=C1)NC(=O)CCN(C)CCC2=CC(=C(C=C2)OC)OC.Cl Cl- 1 3.562 2 3 -8.25833936743342 2902677 C1C=C(CC2C1C(=O)N(C2=O)NC(=O)C3=CC=NC=C3)Cl 1 0.351 3 3 0 -7.9860409323669 2902670 C1CN(CCC1N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5 1 3.506 3 2 -6.45810536473713 2902667 C1CCC(CC1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4 1 4.781 3 3 -20.1168337450201 2902662 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NCC2COCCO2 1 2.119 2 3 -14.5986979366865 2902639 CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CCNC=C3C(=O)CC(CC3=O)C4=CC=CC=C4 1 2.213 4 3 0 -15.3748310972552 2902597 CC1CN(CC(O1)C)CCC(=O)NC2=CC=CC=C2OC.Cl Cl- 1 1.631 2 3 0 -12.4962973198408 2902577 CC1=CC(=CC=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=CC=CC(=C3)C 1 3.672 2 6 0 -6.69592571107697 2902558 CC(C1=CC=CC=C1)NC(=O)C(=O)NCCC2=CCCCC2 1 3.016 2 2 -15.4269760741558 2902549 CN1C(=C(C=N1)Br)C(=O)NC2=C(C=C(C=C2)F)F 1 2.715 3 1 -3.66172546915567 2902546 CCOC(=O)C1CCCN(C1)CCC(=O)NC2=C(C=CC(=C2)C)C.Cl Cl- 1 2.988 2 3 -7.85056122373297 2902544 C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)OC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5 1 5.951 3 2 -4.57337264726886 2902543 CC1CC2(CC(OC2=O)(C)C3=CSC(=N3)NCC=C)C(=O)O1 1 1.687 2 4 0 -7.23239935765979 2902535 CC(CCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2Cl 1 4.44 1 1 -8.49344603124486 2902532 COC1=CC(=C(C=C1)OC)NC2=NC(=CS2)C3=CC=CS3 1 3.607 2 2 5.40182558862513 2902525 C1=CC(=CC=C1NCCCNC(=O)C(F)(F)F)[N+](=O)[O-] 1 1.876 3 3 0 -8.90895005209358 2902514 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=CC=C2)OC 1 4.13 3 4 0 -12.8915608223552 2902509 CC(CCC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.67 2 3 -12.3500767262237 2902504 CCOC(=O)C1CCCN(C1)CCC(=O)NC2=CC(=CC(=C2)C)C 1 2.988 2 3 -6.53611745588604 2902491 COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OC)C3=CC=CC=C3)OC 1 3.826 2 4 1.77995905252856 2902482 CC(=O)NC(CCCNC(=S)NC1CCCCC1)C(=O)O 1 1.967 3 3 0 -23.6367558703221 2902463 CC1CN(CC(O1)C)CCC(=O)NC2=CC3=C(C=C2)OCO3.Cl Cl- 1 1.415 2 4 0 -11.9211521375473 2902462 CCOC(=O)C1CCN(CC1)CCC(=O)NC2=CC=CC(=C2)C.Cl Cl- 1 2.367 2 3 -4.63032769749226 2902453 C1CN(CCC1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4 1 2.492 4 4 0 -10.9015101580063 2902442 CC(CCC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)OC)OC 1 3.743 1 3 -8.11888156147846 2902438 CC1C(NC(C(C1=O)C)C2=CC(=CC=C2)C)C3=CC(=CC=C3)C 1 4.67 1 1 -0.253166590681145 2902437 COC1=CC(=CC(=C1OC)OC)C2CC3=NC(=NC=C3C(=O)C2)N 1 1.588 3 4 0 -13.6124376935072 2902401 CC(C)OC(=O)CN1N=C(N=N1)C2=CC=CC=C2 1 1.938 4 2 0 -4.96867398025341 2902397 C1CCN(CC1)C(=O)CCN2C(=O)C3CC=C(CC3C2=O)Cl 1 1.099 2 3 0 -13.1637486708418 2902394 CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)N(C4=C2C(=O)CC(C4)(C)C)CCOC)O 1 3.758 1 5 -17.696839503782 2902390 CCOC(=O)C1CCCN(C1)CCC(=O)NC2=CC(=C(C=C2)C)C.Cl Cl- 1 2.988 2 3 -6.31983435467801 2902308 CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.273 5 3 0 2.58181625857483 2902307 CC(C)(C)C1=NC2=C(C=NN2C(=C1)C(F)(F)F)C3=CC=CC=C3 1 4.821 3 0 -5.36175836543877 2902277 C1=CC=C(C=C1)CNC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3O 1 4.154 1 2 -10.7477359912601 2902268 CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC3CCCCC3=O 1 4.613 0 4 -4.91883725901173 2902265 C=CC(=O)NCC1C2=CC=CC=C2CCO1 1 1.627 1 2 0 -13.0760637766812 2902262 CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-] 1 2.663 4 4 0 -11.4649027705576 2902254 CC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CO3 1 -0.465 3 4 0 -18.6694171893621 2902216 C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=CC=CC=C4 1 0.995 2 3 0 -8.25393325109481 2902208 CCOC(=O)C1CCCN(C1)CCC(=O)NC2=CC(=C(C=C2)Br)C.Cl Cl- 1 3.25 2 3 -5.92380159539317 2902140 CCCCC(C(=O)OCC(=O)C1=CC=C(C=C1)OC)N2C(=O)C3=CC=CC=C3C2=O 1 3.729 1 6 0 -17.6607624346296 2902133 CC1(CC(CCO1)C(CCN(CC2=CC=CC=C2)C(=O)C3=CC=CO3)C4=CC=C(C=C4)F)C 1 5.558 1 3 -9.06362020691865 2902128 CC(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)OC 1 3.76 1 2 -9.23538353240841 2902105 CC1=CC(=CC=C1)OCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 4.593 2 3 2.12876526903487 2902097 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 4.963 2 5 0 -20.5049964709051 2902088 C1CCCN(CC1)CCC(=O)NC2=CC=CC=C2F.Cl Cl- 1 2.783 2 1 -4.67940348320489 2902083 CC(=O)NC1C(=O)NC(=NC1=O)SCC(=O)NC2=CC(=CC=C2)Cl 1 0.799 4 4 0 -17.9119863156477 2902070 CC1=C(N2C=CSC2=N1)C3=CSC(=N3)NCC=C 1 1.909 4 0 0 -1.93593531170382 2902061 CCOC(=O)C1CCCN(C1)CCC(=O)NC2=CC(=C(C=C2)F)F.Cl Cl- 1 2.426 2 3 -5.23608035115994 2902030 CC1CCCN(C1)CCC(=O)NC2=CC=CC=C2.Cl Cl- 1 2.441 2 1 -4.35341404303753 2902009 CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCN)[N+](=O)[O-])Cl 1 2.639 4 3 0 -9.76209060381669 2902002 CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3CC(=CCC3C(=O)O)Cl 1 3.88 1 5 -16.0378474616787 2901984 C1C=C(CC2C1C(=O)N(C2=O)CCC(=O)NCC3=CC=CC=C3)Cl 1 1.559 2 3 0 -16.590783680945 2901976 COC1=CC=C(C=C1)CNC(=O)C(=O)NCC2=CC=NC=C2 1 0.727 3 3 0 -6.8711224235126 2901964 C1=COC(=C1)CNC2=NC(=CS2)C3=CC=NC=C3 1 1.725 3 1 0 4.89465647321171 2901963 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)N3CCOCC3 1 0.35 3 3 0 -7.96145271657158 2901943 CCOC1=NC(=NC(=N1)NC2=CC(=C(C=C2)OC)Cl)N3CCN(CC3)C4=CC=C(C=C4)OC 1 4.557 6 3 0 3.05824841588172 2901935 C1CC(OC1)CNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3 1 0.668 2 3 0 -16.1412535400197 2901933 COC1=CC(=CC=C1)OCCNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 3.884 2 5 0 -10.1317626589893 2901928 CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NCC=C 1 1.793 5 0 0 -1.56365621170203 2901922 CC1=C(C=C(C=C1)N2C(=O)C3CCC(C2=O)(C3(C)C)C)C 1 3.847 1 2 -4.46765386714812 2901918 C1CCC(=CC1)CCNC(=O)C(=O)NCC2=CC=CC=C2 1 2.638 2 2 -13.486795772329 2901908 CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-] 1 3.344 3 3 -1.78412392683361 2901892 CC1CN(CC(O1)C)CCC(=O)NC2=CC=CC=C2F 1 1.852 2 2 0 -10.2194337192991 2901871 CC1=CC=C(C=C1)OCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 4.593 2 3 1.17676038411772 2901868 CC1=CC=C(C=C1)OCCNC(=O)CCC2=CC=C(C=C2)OC 1 3.631 1 3 -11.8498416309654 2901854 CN(C)CCOC(=O)C(C1=CC=CC=C1)C2=CC=C(C=C2)OC.Cl Cl- 1 3.337 1 3 -4.64915019456065 2901850 CC1=NC(=NC2=CC=CC=C12)NC3=NC(CC(=O)N3)C(=O)NC4=CC=C(C=C4)Cl 1 2.723 6 2 0 -2.29691508658532 2901824 CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCN)[N+](=O)[O-] 1 1.975 4 3 0 -10.0541085535038 2901805 CC1=NC(=NC=C1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)NC(=O)C 1 1.213 4 3 0 -7.20297164525239 2901796 C1CCC(CC1)NC(=O)C2CC=CCC2C(=O)O 1 2.098 1 3 -7.53854681357384 2901784 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C)C3=CC=CC=C3O 1 2.172 3 2 -10.0953652050215 2901775 CC1=CC=C(C=C1)NC(=O)CCC(=O)OC(C)C(=O)C2=CC=CC=C2 1 3.247 1 4 -13.267375720404 2901774 COC1=CC=C(C=C1)NC2=CC(N(C2=O)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)OC 1 4.176 2 4 -2.40911781039712 2901762 COC1=CC(=C(C=C1)NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3)OC 1 2.712 3 3 -5.5776714385074 2901757 COC1=CC=C(C=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=CC=C(C=C3)OC 1 2.667 2 8 0 -8.20617337633782 2901754 CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl 1 2.95 4 4 0 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4 0 -14.936723041946 2901634 C1=CC(=CC(=C1)NC(=O)CC(=NO)N)C(F)(F)F 1 1.142 3 2 0 4.33466215356811 2901621 CCN(CCC(=O)NC1=CC(=C(C=C1)Br)C)CC2=CC=CC=C2.Cl Cl- 1 4.371 2 1 -4.36880332889228 2901611 C1C(CC(=O)C=C1NC2=CC=C(C=C2)Cl)C3=CC=CO3 1 3.378 1 2 -9.66381138557861 2901602 CC(C(=O)C1=CC=CC=C1)OC(=O)CCCC(=O)NC2=CC=CC=C2 1 3.217 1 4 -15.3313039479126 2901601 C1COCCN1CCC(=O)NC2=CC=CC=C2 1 0.892 2 2 0 -5.97981268547665 2901579 CCCCC1C(=O)N(C(=S)N1)CC=C 1 2.676 2 1 -11.1760744156171 2901577 C1CC(OC1)CNC(=O)C(=O)NCCOC2=CC=C(C=C2)Cl 1 1.383 2 4 0 -13.2100540070579 2901567 COC1=C(C=C(C=C1)Br)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3 1 3.226 2 3 -14.0531861539324 2901562 C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 1.31 5 3 0 -13.3706145349103 2901556 CCCNC(=O)C1=CC=CC=C1NC(=O)NC2=CC=CC=C2C 1 3.089 3 2 -16.2019974157768 2901543 COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCNC=C3C(=O)CC(CC3=O)C4=CC=CC=C4 1 3.802 4 3 0 -20.8057466956303 2901537 CN(CCC(=O)NC1=CC=C(C=C1)Cl)CC2=CC=CC=C2.Cl Cl- 1 3.452 2 1 -1.25231367028498 2901531 C1CCC2=C(C1)C3=C(S2)N=CN(C3=N)CCCO 1 1.703 3 1 0 -8.1124731771819 2901522 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 1 2.21 2 6 0 -20.7099056407231 2901512 C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2F 1 4.301 2 0 -8.14162064994887 2901510 CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2 1 3.481 3 3 -6.69863670527568 2901496 CCCCN(C)CCC(=O)NC1=CC(=C(C=C1)F)F.Cl Cl- 1 2.944 2 1 -5.82684072082466 2901492 CCCCC1=NN=C(N1N)SCC2=CC=C(C=C2)OCC 1 3.541 4 1 -12.1131108298485 2901485 COC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3C4CC(C3C2=O)C=C4 1 0.978 2 4 0 -8.5102453218656 2901469 COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCC2)[N+](=O)[O-] 1 3.242 3 4 0 -17.2506908304141 2901459 CC(C)CNC1=CC(=O)CC(C1)C2=CC=CO2 1 2.051 1 2 -14.4219550629739 2901448 CCC(=O)NCCNC1=NC=C(C=C1)[N+](=O)[O-] 1 0.308 4 3 0 -12.4512834868839 2901435 C1CC(OC1)CNC(=S)NC2=CC=CC=C2Cl 1 3.535 2 1 -10.7571833972613 2901431 CC(CN(C)C)OC(=O)C(C1=CC=CC=C1)C2=CC=C(C=C2)OC.Cl Cl- 1 3.714 1 3 -4.82975947677021 2901408 CC1=CC(=CC=C1)NC(=O)CCN2CCCCC2.Cl Cl- 1 2.608 2 1 -1.53690678286209 2901393 CCCCOC1=C(C=C(C=C1)C2=CSC(=N2)N)[N+](=O)[O-] 1 3.234 3 3 2.87107376157861 2901391 COC1=CC=C(C=C1)C(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-] 1 1.289 4 4 0 -11.75873028689 2901383 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC(C2=CC=CC=C2)C3=CC=C(C=C3)OC 1 5.713 2 2 -9.83738751495871 2901381 CC1=CC=C(C=C1)NC(=O)CCCC(=O)OC(C)C(=O)C2=CC=CC=C2 1 3.703 1 4 -14.881618347491 2901371 CC(C)OC1=CC=C(C=C1)CNCC2(CCOC(C2)(C)C)O 1 1.818 1 3 0 -4.20578502856259 2901363 CC1C(=O)N(C(=S)N1)C2CCCCC2 1 2.481 2 1 -6.61525829891714 2901361 CCCCN(C)CCC(=O)NC1=CC=C(C=C1)Cl.Cl Cl- 1 3.197 2 1 -4.8406812191158 2901355 CC(CCC1=CC=CC=C1)NC(=O)CC2=CC=CC=C2 1 3.811 1 1 -10.3213944595521 2901339 CC1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)OC)OC.Cl Cl- 1 2.34 2 3 -8.69345202549917 2901327 CCN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl.Cl Cl- 1 4.06 4 0 8.47019618369656 2901325 C1CCC(CC1)N2C(=O)C3CCCN3C2=S 1 3.129 2 1 -4.79767985396483 2901315 CCCCN1C2=CC=CC=C2N=C1NCC3=CC=CC=C3O 1 4.099 3 1 -2.81818430914208 2901311 CCOC(=O)C1CCN(CC1)CCC(=O)NC2=CC=CC=C2Cl.Cl Cl- 1 2.545 2 3 -6.51730897939525 2901307 CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC3CCCCC3=O 1 5.069 0 4 -6.60860889709615 2901298 CC1=CC2=C(C=C1)N(C(=N2)NCCCO)C 1 1.438 3 1 0 2.4487319200161 2901278 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)NC4=CC(=CC=C4)F 1 3.364 2 2 -33.0670817622266 2901268 CCN1CCN(CC1)CCC(=O)NC2=CC(=C(C=C2)Br)C.Cl Cl- 1 2.745 3 1 -3.54346251843918 2901255 C1COCCC1(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.65 2 4 -12.459768073252 2901240 CCCC(=O)NC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.43 4 3 0 -13.5654755655353 2901229 CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=NC=C3)C(=O)NC4=CC=C(C=C4)F 1 2.093 3 2 -31.2853081081694 2901223 CC1CN(CC(O1)C)CCC(=O)NC2=C(C=CC(=C2)OC)OC 1 1.614 2 4 0 -11.6258929977996 2901220 CCN(CC)C(=O)C1=CC=C(C=C1)N2C(=O)C3CC=C(CC3C2=O)Cl 1 2.356 2 3 -10.9200005887948 2901205 C1=CC=C(C=C1)C(=O)C2=NN(C3C2C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5 1 4.017 3 3 -7.12273630525564 2901203 CC1=NN=C(S1)NC(=O)C2COC3=CC=CC=C3O2 1 1.122 3 3 0 -9.73653658610001 2901185 CC(CCC1=CC=CC=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.727 1 4 -12.715192255808 2901182 CCC(C)NCC1=CC=C(O1)C(=O)OC.Cl Cl- 1 1.946 1 3 0 -6.47875858096697 2901168 C1CN(CCN1C(=O)COC2=CC=C(C=C2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4 1 3.188 2 4 -17.6248206913852 2901146 CCC1=CC=C(C=C1)C2=NN(C=C2CSC(=N)N)C3=CC=CC=C3.Cl Cl- 1 5.123 4 0 11.6473174835703 2901116 COC1=CC(=C(C=C1)NC(=O)CCN2CCCCCC2)OC.Cl Cl- 1 2.545 2 3 -7.99323064037228 2901113 C1C=C(CC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)Br)Cl 1 3.778 2 3 -6.89365330687833 2901111 CN1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)OC)OC.Cl Cl- 1 1.129 3 3 0 -4.09148767134052 2901100 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4 1 3.143 4 4 0 -13.5515008589536 2901081 CC(=O)NCCNC1=NC=C(C=C1)[N+](=O)[O-] 1 -0.359 4 3 0 -10.5485377683502 2901050 CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCCN3CCOCC3)[N+](=O)[O-])Cl 1 3.357 4 4 0 -10.1076845509167 2901045 C1CCC(CC1)N2C(=O)C(NC2=S)C3=CC=CC=C3 1 3.716 2 1 -9.41893279657168 2901027 C1CC(OC1)CNC(=O)CN2C=C(C=N2)[N+](=O)[O-] 1 -0.208 4 4 0 -20.7550667057002 2901026 COC1=CC(=C(C=C1)OC)NC(=O)CCN2CCCCCC2.Cl Cl- 1 2.545 2 3 -6.08586276170534 2901023 CCC(C)C1C(=O)N(C(=S)N1)CC2=CC=CC=C2 1 3.506 2 1 -5.55554195327172 2901007 CC1=CC(=CC=C1)NC(=O)CCN2CCN(CC2)C.Cl Cl- 1 1.648 3 1 0 0.457468307502734 2900999 C1CCCN(CC1)CCC(=O)NC2=CC(=CC=C2)F.Cl Cl- 1 2.783 2 1 -1.63354667056077 2900992 C1C=CCC(C1C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O 1 1.591 1 5 0 -9.64605751760332 2900989 CC(C)(C)NC(=S)NCC1=CC=CO1 1 2.354 2 1 -13.1147223452127 2900980 CC1=CC=CC=C1NC(=O)C(=O)NC(C)CCC2=CC=CC=C2 1 3.529 2 2 -11.014453860415 2900944 CCN(CC)C(=O)C(C)OC(=O)C1=CC=C(C=C1)O 1 1.89 1 4 0 -6.21978168852411 2900943 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCNC=C3C(=O)CC(CC3=O)(C)C 1 3.197 4 4 0 -25.9893098278932 2900942 CC12C3CC(C1C(=O)N(C2=O)CC4=CC=CC=C4)C=C3 1 2.111 1 2 -0.943783078233923 2900938 CCS(=O)(=O)N1CCN(CC1)CC2CC3CC2C=C3 1 1.096 2 2 0 -8.95015069361835 2900918 CC1=CC(=CC=C1)NC(=S)NCC2CCCO2 1 3.357 2 1 -9.87464195482742 2900903 COC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3CC=C(CC3C2=O)Cl 1 1.536 2 4 0 -11.0063586690594 2900882 CC1CCCN(C1)CCC(=O)NC2=CC=C(C=C2)OC 1 2.424 2 2 -4.60972611380832 2900872 C1=CC=C(C=C1)C2=NN(C3C2C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5 1 4.141 3 2 -4.7990640003192 2900841 CCOC(=O)C1=NN(CC1C(=O)OC)C2=CC=C(C=C2)C 1 2.563 2 4 -5.99242758217611 2900835 CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-] 1 4.117 3 2 0.159430710047237 2900823 CCCN(CCC)CCCOC(=O)C1=C(C=C(C=C1)Cl)Cl.Cl Cl- 1 4.96 1 2 -0.570612970555874 2900817 CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-])Cl 1 4.233 3 4 0 -8.21700658923686 2900809 CC(C)CC1C(=O)N(C(=S)N1)C2CCCCC2 1 3.713 2 1 -10.0380191233953 2900804 C1COCCN1CN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CC=CC=C4)O 1 1.648 2 4 0 -10.2038685033948 2900793 CC(=O)NC1C(=O)NC(=NC1=O)SCC2=CC=CC=C2 1 1.081 3 3 0 -18.1705333549839 2900784 CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C 1 3.495 4 2 -6.58733751190466 2900783 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)F 1 2.756 2 2 -0.95195654272533 2900778 CC1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.391 1 3 -8.29035508863131 2900775 CCOC(=O)C1CCCN(C1)CCC(=O)NC2=CC=CC=C2.Cl Cl- 1 2.015 2 3 -6.22857367841124 2900767 C1C=CCC(C1C(=O)NCCC2=CC=CC=C2)C(=O)O 1 2.144 1 3 -9.02287176085658 2900744 C1=CC=C(C=C1)C2C=CC(C3C2C(=O)N(C3=O)CCCO)C4=CC=CC=C4 1 2.525 1 3 -4.9272014343997e-002 2900733 COC1=CC=C(C=C1)OCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 2.251 2 6 0 -7.84378154175183 2900724 C1C=C(CC2C1C(=O)N(C2=O)CCC(=O)NCC3=CC=CO3)Cl 1 0.741 2 4 0 -17.9294554507079 2900722 CC1=CC=C(C=C1)C2=NN(C=C2CSC(=N)N)C3=CC=CC=C3.Cl Cl- 1 4.667 4 0 11.8867556193494 2900714 C1CCCC(CC1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4 1 5.237 3 3 -20.1168337450201 2900710 CC(C1COC2=CC=CC=C2O1)NC(=O)C3=CC=CC=C3Cl 1 3.543 1 3 -10.4530194263357 2900701 CC1=CC=CC=C1OCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 4.593 2 3 1.51517866754364 2900686 CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CSC=C4)C(=O)NC5=CC=CC=C5F 1 4.19 2 2 -38.7562977323081 2900684 COC1=CC=CC=C1OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=CC=CC=C3OC 1 2.667 2 8 0 -11.5315358893111 2900654 COC1=CC=C(C=C1)C2=C(OC3=C2C(=N)N(C=N3)CC4=CC=CO4)C5=CC=C(C=C5)OC 1 4.3 3 4 0 15.1562287113337 2900629 CCC(CCC(=O)O)(C1=CSC(=N1)N)C(=O)OCC 1 1.718 2 4 0 -6.74606600633624 2900616 C1CC(OC1)CNC(=O)CN2C=C(C3=CC=CC=C32)C=O 1 1.507 2 3 0 -17.0251320341866 2900579 C1=CC(=CN=C1)CNC2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 2.63 3 2 -1.582838593841 2900575 CCC(C)C1=CC=CC=C1OCC(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 3.181 2 4 -7.82968324451965 2900569 CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCC3CCCO3)[N+](=O)[O-])Cl 1 3.827 3 4 0 -12.5405069534359 2900568 CC(CC1=CC=CC=C1)NC(=O)C2(CCOCC2)C3=CC=CC=C3 1 3.462 1 2 -10.8279248227413 2900563 C1C(OC2=CC=CC=C2O1)C3=CSC4=C3C(=O)NC=N4 1 1.935 2 3 0 1.1190069697297 2900560 CCOC(=O)CC(C1=CC2=C(C=C1)OCO2)N.Cl Cl- 1 1.036 1 4 0 -7.5136046371858 2900552 CC1CCN(CC1)CCC(=O)NC2=CC(=C(C=C2)F)F 1 2.784 2 1 -5.19630241110709 2900542 CCCCN(C)CCC(=O)NC1=CC=C(C=C1)C.Cl Cl- 1 3.019 2 1 -6.66267990970262 2900536 CC(C)C(C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)N3C(=O)C4=CC=CC=C4C3=O 1 4.33 3 3 -24.9380097844161 2900521 CCC1CC(OC1=O)(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.983 2 5 0 -12.9672571824734 2900517 C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CCCN.Cl Cl- 1 3.293 2 1 2.42735017578942 2900504 CC1(CC(C(=O)O1)CC(=O)NC2=CC=CC=C2[N+](=O)[O-])C 1 1.549 2 5 0 -11.2444035906831 2900500 CC(CCC1=CC=CC=C1)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 3.778 1 3 -13.6033510213616 2900494 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)NC(C)(C)C)NC(=O)C3=CC=C(C=C3)OC(=O)C 1 3.074 3 7 0 -16.7223892296298 2900488 CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4 1 3.828 4 4 0 -3.30518760635993 2900485 CCN(CC)CCOC(=O)C1=CC=CC=C1Br.Cl Cl- 1 3.27 1 2 -3.05601729479811 2900472 CC(=O)NC(CCCCNC(=S)NC1CCCCC1)C(=O)O 1 2.424 3 3 -25.3126841373837 2900449 CC(CC1=CC=CC=C1)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3O 1 4.853 1 2 -7.84318135454084 2900437 CC1=C(C=CC(=C1)NC(=O)CCN2CCN(CC2)CCO)Br.Cl Cl- 1 1.857 3 2 0 -1.7694972258485 2900431 CC1(CC(CCO1)(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)OC)C 1 3.813 1 3 -6.15746735829319 2900427 CC(C(=O)N1CCOCC1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 1.26 3 4 0 -19.3929422374226 2900415 COC1=CC=CC(=C1)NC(=O)CCN2CCC(CC2)C(=O)N 1 0.662 3 3 0 -3.29071129417067 2900404 CCN1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)OC.Cl Cl- 1 1.494 3 2 0 -3.74784127754038 2900402 CC(C)OCC1CC(C(=O)O1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.59 2 6 0 -6.19094611130712 2900397 CC(CCC1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 2.763 3 3 -21.1531706256292 2900388 CC1CCCN(C1)CCC(=O)NC2=C(C=CC(=C2)OC)OC.Cl Cl- 1 2.408 2 3 -6.8580703301783 2900371 CC1=CC(=C(C=C1)C)N2CC(CC2=O)C(=O)O 1 1.703 1 3 0 -7.60775186373129 2900367 CC1CN(CC(O1)C)CCC(=O)NC2=C(C=CC(=C2)C)OC.Cl Cl- 1 2.117 2 3 -11.3608192524725 2900344 CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2N3C(=O)C4C5CCC(C5)C4C3=O 1 3.727 1 5 -9.01983492004396 2900308 CCC1=CC=C(C=C1)NC(=O)C2CC=CCC2C(=O)O 1 2.759 1 3 -4.24941952282349 2900294 CCN1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)OC)OC.Cl Cl- 1 1.477 3 3 0 -6.35289088859803 2900292 CCCCN1C2=CC=CC=C2N=C1NCC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C 1 5.315 4 2 -10.6643351638815 2900274 CCOC(=O)C1CCCN(C1)CCC(=O)NC2=CC=CC(=C2)C.Cl Cl- 1 2.502 2 3 -4.18427398670876 2900271 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 3.044 4 5 0 -14.9363333341718 2900264 CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC3CCCCC3=O 1 4.583 0 4 -9.42436406717567 2900262 CC1=CC=C(C=C1)NC(=O)CCN2CCCCC2.Cl Cl- 1 2.608 2 1 -3.42455233619122 2900255 CCOC1=NC(=NC(=N1)NC2=CC=C(C=C2)F)N3CCN(CC3)C4=CC=C(C=C4)OC 1 4.114 6 2 0 4.04342619832122 2900235 CCCCC1CC(OC1=O)CSC2=NC=NN2 1 2.628 3 2 -10.8284350606691 2900218 CC(C(=O)C1=CC=CC=C1)OC(=O)CCCC(=O)NC2=CC=C(C=C2)F 1 3.423 1 4 -14.1697413220257 2900213 CC1CC(CN(C1)CCC(=O)NC2=CC=C(C=C2)Br)C.Cl Cl- 1 3.508 2 1 -7.91105591419391 2900202 CCC(=O)NC1=C(C2=C(S1)CCCCC2)C#N 1 3.122 2 1 -18.5261961079842 2900200 CC(C)N(CC(C1=CC(=CC=C1)[N+](=O)[O-])O)C(C)C.Cl Cl- 1 2.739 2 3 -4.03875177353853 2900185 CCCCNC(=O)N1CCC2=CC=CC=C2C1 1 2.562 2 1 -15.0525309422333 2900162 CC1=CC(=NC=C1)NC(=O)C2COC3=CC=CC=C3O2 1 2.262 2 3 -1.26704976119213 2900158 COC1=CC=CC=C1NC(=O)CCN2CCCCCC2.Cl Cl- 1 2.561 2 2 -6.9562670837465 2900149 C1CCN(CC1)CCOC(=O)C2=CC=CC=C2Br.Cl Cl- 1 3.489 1 2 -3.17598107006676 2900108 CC(C(=O)NCC1(CCCC1)C2=CC=CC=C2)N3CCCC3.Cl Cl- 1 3.363 2 1 -19.2740206463034 2900092 C1C(OC2=CC=CC=C2O1)CNC(=O)C(=O)NCC3=CC=CC=C3 1 1.774 2 4 0 -11.2481420112837 2900077 CC(C(=O)NC1=CC(=CC=C1)O)OC2=C(C=C(C=C2)Cl)Cl 1 4.021 1 3 -4.21911153115085 2900050 CC1=CC(=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C 1 3.95 2 4 -1.12034456322081 2900028 CCOC(=O)N1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2 1 1.225 2 5 0 -7.80696117212008 2900011 C1CN2C3=CC=CC=C3N(C2=N1)CC(C4=CC=CC=C4)O.Cl Cl- 1 2.256 3 1 -7.34301227214755 2900004 COC1=CC=C(C=C1)S(=O)(=O)NC2CC3CCC2C3 1 2.326 1 3 -4.41388599419058 2900003 CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N3CCN(CC3)C)NC(=O)C4=CC=CO4 1 3.716 3 3 -15.3075370792214 2900001 CCC(C)NC(=O)C1=C(C=CC(=C1)Cl)OC 1 2.936 1 2 -10.1457195141829 2899994 CC(=O)N1CCN(CC1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O 1 2.374 3 2 0.322524725671322 2899983 CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)N(C3=CC=C(C=C3)OC)S(=O)(=O)C 1 3.337 2 4 -5.18784106807834 2899979 CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)N(C3=CC=C(C=C3)OC)S(=O)(=O)C 1 2.085 3 6 0 -21.2195944451275 2899963 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)N3C(=O)C4CCCCC4C3=O 1 1.092 4 4 0 -21.0350880584018 2899946 CCOC(=O)C(C1CCCCC1)C(=O)NCCCN2CCOCC2 1 1.815 2 4 0 -14.2598709094508 2899928 C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)Cl)NCC4=CN=CC=C4 1 3.9 2 2 -0.92140682983841 2899919 CCOC(=O)N1CCN(C1C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C 1 3.408 2 5 0 -13.2816454041713 2899898 C1C2C=CC1C3C2C(=O)N(C3=O)N=CC4=CN(C5=CC=CC=C54)CC6=CC=CC=C6 1 3.838 3 2 -1.21507647274786 2899886 CC(C(=O)NCC1CCCO1)OC2=CC=C(C=C2)Cl 1 2.38 1 3 -11.0122232300427 2899875 C1CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=CO5)C(=O)C1 1 4.101 1 2 -14.0918054207908 2899851 CC1=CCC(C(C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)C(=O)O 1 4.758 2 3 2.68790592158275 2899848 CCOC(=O)N1CCN(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.425 2 4 -13.3920758279224 2899839 CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2F)C3=CC=C(C=C3)OC)[N+](=O)[O-] 1 3.729 3 6 0 -18.8298080580909 2899821 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=CS5 1 1.841 2 2 0 -7.1840432487015 2899804 COC1=C(C=C(C=C1)N(CC(=O)NC2CC3CCC2C3)S(=O)(=O)C4=CC=CC=C4)Cl 1 3.833 2 4 -15.2453096539269 2899800 CCOC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 3.31 2 5 0 -4.04176119283648 2899799 C1CN(CCN1C2=CC=CC=C2)C(=O)CN(C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4 1 4.083 3 3 -8.70670310475094 2899775 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=CC=CC=C4 1 4.982 2 2 -4.55582695719226 2899772 C1C(OC2=CC=CC=C2O1)C(=O)NCC3=CC=CC=N3 1 1.459 2 3 0 -7.84670711380849 2899764 C1CN=C2N(C1)C3=CC=CC=C3N2CC(C4=CC=C(C=C4)Cl)O.Cl Cl- 1 2.983 3 1 -5.13549165092856 2899754 CC1=CC(=NO1)NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl 1 3.401 2 3 -14.1928720402703 2899744 CC(C(=O)NCC1CCCO1)SC2=CC=C(C=C2)Cl 1 2.939 1 2 -8.91707487092505 2899735 CCCN(CCC)S(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] 1 3.25 2 4 -12.4974389264281 2899728 CC(C(=O)NC1=CC=C(C=C1)F)SCC2=CC=CC=C2 1 3.704 1 1 -7.81166737667909 2899723 C1CN(CCN1C2=CC=CC=C2)C(=O)C3COC4=CC=CC=C4O3 1 2.646 2 3 -3.68577040720656 2899706 CCOC(=O)C(C1CCCCC1)C(=O)NC2=CC=CC=N2 1 2.891 2 3 -8.01187812995823 2899705 C1CC1NC(=O)COC2=CC=C(C=C2)Cl 1 2.027 1 2 -5.71418513840409 2899680 CC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O 1 3.451 3 4 0 -1.64082677476545 2899679 CCOC1=CC=C(C=C1)C(=O)C2=CC=CS2 1 3.519 0 2 -3.72967535438252 2899675 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3C(=O)O 1 1.145 2 5 0 -12.0725118481963 2899668 CCOC1=CC=C(C=C1)N(CC(=O)NC2CC3CCC2C3)S(=O)(=O)C4=CC=C(C=C4)C 1 4.003 2 4 -13.5703649482828 2899667 CC(C(=O)NC1=CN=CC=C1)N(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 0.9 3 4 0 -9.09800709478175 2899664 CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.83 2 4 -6.46007573733615 2899663 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=C(O5)C6=CC(=C(C=C6)Cl)C(=O)O 1 3.387 2 5 0 -4.86053189539365 2899657 CCCC(=O)N(CCN(CC1=CC=CC=C1)C(=O)CCC)CC2=CC=CC=C2 1 4.391 2 2 -14.6079192208886 2899639 C1=CC=C(C=C1)OCCOC2=CC=CC3=C2N=CC=C3 1 3.632 1 2 -4.36130834534729 2899634 CC1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2Cl)Cl)Cl)OC 1 5.908 0 3 0.44417044059026 2899627 C1=CC2=C(C(=C1)OCCOCCOC3=CC=C(C=C3)Br)N=CC=C2 1 4.249 1 3 -4.79582800552009 2899624 CC1=CC(=C(C=C1)OCCCOC2=C(C=CC(=C2)C)Cl)OC 1 5.128 0 3 -1.77723261338352 2899620 CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CO3 1 3.347 2 3 -13.2130760005737 2899613 CC1=CC=C(C=C1)SCC(=O)NCCSCC2=CC=CC=C2 1 4.115 1 1 -10.7609468250371 2899607 COC1=C(C=C(C=C1)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3)Cl 1 3.81 3 4 0 -22.968002143317 2899522 CCOC1=CC=C(C=C1)OCCOCCOC2=C(C=CC=C2Cl)Cl 1 4.976 0 4 0.239686126719658 2899521 CC1=CC=C(C=C1)CSCCNS(=O)(=O)C 1 1.848 1 2 0 -6.36109590734801 2899493 CC1=CC=C(C=C1)CSCCNS(=O)(=O)C2=CC=CC=C2 1 3.424 1 2 -6.67697857552391 2899490 C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N 1 2.226 3 2 -0.884662444808164 2899482 CC1=C(C=CC(=C1)Cl)NC(=O)C(C2=CC=CC=C2)OC 1 3.556 1 2 -18.9380813636995 2899466 C1=CC=C(C=C1)OCC(=O)NCCSC2=CC=CC=C2 1 3.063 1 2 -8.80946276319941 2899461 CC1=CC(=C(C(=C1)OCCCOC2=CC=CC3=C2N=CC=C3)C)C 1 5.153 1 2 -2.12400580214872 2899456 CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCN(CC3)C 1 2.095 5 3 0 -6.46859260645474 2899449 COC1=C(C=CC(=C1)CC=C)OCCOC2=CC=CC3=C2N=CC=C3 1 4.623 1 3 -11.16474502904 2899442 CC1=C(C=C(C=C1)S(=O)(=O)NC2=NCN(CN2)C)[N+](=O)[O-] 1 1.084 5 4 0 -10.1106273446756 2899438 C1CC2CC1CC2NC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4 1 3.39 2 3 -12.5753082012015 2899437 CC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3 1 4.694 2 3 -1.27348570927155 2899426 CC(C)OC1=CC=CC=C1OCCOC2=C(C=CC=C2OC)OC 1 4.122 0 5 -4.02960860983707 2899410 CC(CNC(=O)CCC1=CC=CC=C1)NC(=O)CCC2=CC=CC=C2 1 3.254 2 2 -18.9316551337258 2899390 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC2=CC=CC=N2)C3=CC(=C(C=C3)C)C 1 4.62 3 3 -20.4472050984839 2899387 COC1=C(C=CC(=C1)CC=C)OCCOCCOC2=CC=CC3=C2N=CC=C3 1 4.492 1 4 -12.5502318731918 2899371 CC(CNC(=O)C1=CC=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)OC 1 2.239 2 4 -11.8553424140335 2899334 COC1=C(C=CC(=C1)S(=O)(=O)NCCCN2CCOCC2)Cl 1 1.277 2 4 0 -10.3680547478587 2899333 C1CN(CCN1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)C5=CC=CC=C5 1 4.786 3 1 7.56880922018362 2899283 CC1=CC(=C(C=C1)OCCCOC2=CC=CC=C2OC)Br 1 4.726 0 3 -1.2739031337115 2899280 C1=CC=C(C(=C1)CSCCNC(=O)COC2=CC=C(C=C2)Cl)Cl 1 4.399 1 2 -9.64327443385637 2899272 CCOC(=O)C(C(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)OCC 1 3.735 1 4 -8.08735495951465 2899255 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=C(S5)[N+](=O)[O-] 1 1.86 3 4 0 -2.12336340168353 2899242 CC1=CC(=C(C=C1)OCCCCOC2=CC=CC=C2C(=O)C)OC 1 4.297 0 4 -7.01824294116563 2899214 C1CC(OC1)CNC(=O)CSC2=CC=C(C=C2)Cl 1 2.454 1 2 -11.344816981618 2899212 CC(C(=O)NCCC1=CCCCC1)OC2=C(C=C(C=C2)Cl)Cl 1 5.013 1 2 -10.7082529706249 2899211 COC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.955 4 4 0 -10.236339872513 2899207 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.402 3 4 0 -10.5478584535935 2899193 COC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.313 3 4 0 -11.1173745375838 2899190 CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)C3CC=CCC3C2=O)[N+](=O)[O-] 1 1.778 2 7 0 -14.2447742069687 2899176 C1=CC=C(C=C1)C2=CC=C(C=C2)N3C(=O)C4C5C=CC(C4C3=O)(O5)CO 1 1.679 1 4 0 22.9235446990556 2899162 CC(C(=O)NC1=CC=C(C=C1)O)OC2=C(C=C(C=C2)Cl)Cl 1 4.021 1 3 -4.7311623502717 2899152 C1CN=C2N(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)F.Cl Cl- 1 3.035 3 0 -4.72803539001028 2899117 C1CN=C2N(C1)C3=CC=CC=C3N2CC(=O)C4=CC5=C(C=C4)OCO5.Br Br- 1 2.27 3 3 -13.0670592442975 2899102 C1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N=C2CO)O 1 2.261 2 3 4.04235323886352 2899100 C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3 1 3.751 2 3 -1.71466476261282 2899098 CC1CC(C2=CC=CC=C2N1C(=O)C3=CN=CC=C3)NC4=CC=CC=C4 1 3.349 3 1 -10.4332117557619 2899080 CC(C(=O)NC1=NC=CS1)OC2=CC=C(C=C2)Cl 1 2.595 2 2 -4.94976645376581 2899078 CC1=CC(=CC=C1)N(CC(=O)NC2CC3CCC2C3)S(=O)(=O)C4=CC=CC=C4 1 3.671 2 3 -13.175204246069 2899074 CC1=CC(=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C 1 5.18 2 3 0.468741559491963 2899073 CC1=CC=C(C=C1)C(=O)NCCNC(=O)CN2CCOCC2 1 0.41 3 3 0 -14.3675611875075 2899045 CC1=CC=C(C=C1)CSCCNC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3 1 4.25 2 4 -22.2065732660476 2899037 COC1=C(C=C(C=C1)N(CC(=O)NC2CC3CCC2C3)S(=O)(=O)C4=CC=CC=C4)OC 1 3.152 2 5 0 -16.8448824142001 2899015 CCOC(=O)C(C1CCCCC1)C(=O)N(C)CC2=CC=CC=C2 1 3.715 1 3 -7.33224837008237 2899011 CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC3=C(C=C2)OCCO3 1 2.152 2 4 -8.93692061763586 2899008 CCN(CC)C1=CC=C(C=C1)N2C(=CC(=C2C)C=O)C 1 3.616 2 1 -6.2513014817563 2899007 CCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 5.246 4 4 0 -7.77880535235104 2899003 C1COCCN1CC#CC(C2=CC=CS2)O 1 1.517 1 2 0 6.16566678197986e-003 2899001 CC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3 1 3.464 2 4 -2.86257183198432 2898999 COC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 4.897 4 4 0 -7.70025205512562 2898995 C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC(=CC=C3)Br)O 1 2.382 1 3 -8.93240552954068 2898962 CC(C(=O)NCC1=CN=CC=C1)SC2=CC=C(C=C2)Cl 1 3.013 2 1 -6.86088008686526 2898930 COC1=C(C=C(C=C1)Cl)N(CC(=O)NC2CC3CCC2C3)S(=O)(=O)C4=CC=CC=C4 1 3.833 2 4 -12.6262526257228 2898924 CCOC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 4.113 2 4 -21.1402259549545 2898922 CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCC3CCCO3)S(=O)(=O)C)C 1 3.069 2 4 -18.7136885620896 2898891 CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2 1 2.337 3 5 0 -11.4233316619752 2898885 COC1=C(C=C(C=C1)N(CC(=O)NCCSCC2=CC(=CC=C2)Cl)S(=O)(=O)C)Cl 1 3.516 2 4 -18.8210016838544 2898863 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3 1 1.192 2 6 0 -18.5224484055825 2898832 CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=C(C=C3)OC)[N+](=O)[O-] 1 2.526 4 7 0 -21.6427917429845 2898827 CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)C 1 2.028 3 5 0 -12.9670078841999 2898810 CC1=CC(=C(C=C1)OCCCOC2=C(C=CC=C2Cl)Cl)OC 1 5.306 0 3 0.551227488795645 2898808 COC1=C(C=CC(=C1)C=O)OCCOC2=CC=CC=C2[N+](=O)[O-] 1 3.083 1 6 0 -10.241217501126 2898807 CCOC1=CC=CC=C1OCCCCOC2=CC=CC=C2F 1 4.626 0 3 -1.08991907426229 2898787 CC1=C(C=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C 1 3.95 2 4 -2.81084884330383 2898761 C1CCN(C1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-] 1 3.381 2 5 0 -5.87555887985013 2898747 C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)OCC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 1.632 2 7 0 -12.1546659406187 2898745 CC(CNC(=O)C1=CC=CC=C1Cl)NC(=O)C2=CC=CC=C2Cl 1 3.601 2 2 -11.0910393730311 2898713 CC1=C(C=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C 1 5.18 2 3 -1.22176272059106 2898709 CC1=C(C=C(C=C1)N(CC(=O)NC2CC3CCC2C3)S(=O)(=O)C)C 1 2.58 2 3 -12.4135803924617 2898652 CC(C(=O)NCCSCC1=CC(=CC=C1)Cl)N(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 3.336 2 4 -9.98992881513752 2898647 CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N3CCCCC3)NC(=O)C4=CC=CS4 1 5.234 2 2 -19.5983754766221 2898639 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=C(O5)C6=C(C=C(C=C6)Cl)[N+](=O)[O-] 1 3.651 3 5 0 -1.08173681269106 2898604 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=CO3)NCCCO.Br Br- 1 1.603 3 3 0 -4.30064500058687 2898589 C1CN2C3=CC=CC=C3N(C2=N1)CC(=O)C4=CC5=C(C=C4)OCO5.Br Br- 1 2.207 3 3 -11.4684622724622 2898586 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OC 1 3.888 3 4 0 -9.75262690319749 2898572 CC1=CC=C(C=C1)C(=O)N2CCN(C2C3=CC=C(C=C3)N(C)C)C(=O)C4=CC=CC=C4 1 4.556 3 2 -7.81945850590261 2898569 CC1=CC=CC=C1N(CC(=O)N2CCCCCC2)S(=O)(=O)C 1 2.072 2 3 -16.3117631710136 2898567 COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC)Cl 1 3.053 1 3 -20.3637334217298 2898557 CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 5.623 4 4 0 -9.93162686957772 2898519 CC1=C(C=C(C=C1)C(=O)COC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O)[N+](=O)[O-] 1 2.147 2 7 0 -20.9713930502842 2898518 COC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3 1 3.735 2 4 -1.33198340424761 2898516 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC=C(C=C3)N(C)C)C(=O)C 1 2.595 3 3 -16.2363361543457 2898510 CC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Cl 1 3.697 3 3 -9.06469062729271 2898509 CC(=O)N(CC1=CC(=CC=C1)Br)C2=CC(=C(C=C2)N3CCOCC3)Cl 1 4.002 2 2 -2.09714978294058 2898508 CCOC(=O)C(C1CCCCC1)C(=O)NCC2CCCO2 1 2.285 1 4 -15.8199143125677 2898505 CCC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4 1 4.435 3 3 -6.37717763857224 2898491 CC1=CC=C(C=C1)C(=O)N2CCN(C2)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-] 1 2.677 3 5 0 -19.3204216339061 2898485 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=C(O5)C6=CC=CC=C6[N+](=O)[O-] 1 2.987 3 5 0 -5.06550713347616 2898434 C1C=CCC2C1C(=O)N(C2=O)CC(=O)OCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 1.956 2 7 0 -13.374084610316 2898415 COC1=CC(=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])OC 1 4.88 4 5 0 -9.52241434883604 2898394 C1CC(OC1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 0.885 1 5 0 -12.2732070992338 2898388 CC(C)CN1C(=O)C2=CC=CC=C2C1(CC3=CC=CC=C3)O 1 3.474 1 2 -1.60776637203278 2898384 CC1(C2(CCC1(OC2=O)C(=O)N3CCCCCC3)C)C 1 2.531 1 3 -8.87414934939239 2898372 CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC(=CC=C2)Br.[Cl-] Cl- 1 0.601 3 3 0 -6.08216308639132 2898369 CC1C2=CC(=C(C=C2CCN1C(=O)C3=CC=CO3)O)OC 1 2.416 1 4 -11.0017310711223 2898345 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC(=C(C=C2)F)Br 1 2.333 2 3 -9.17368847959329 2898344 CCOC1=CC=C(C=C1)C2C(=CN(C=C2C(=O)OC)C(C)C3=CC=CC=C3)C(=O)OC 1 3.673 1 5 -12.5048034695462 2898343 CC(C(=O)O)SC1=NC2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C(=O)N(C(=O)N2C)C 1 2.965 4 6 0 -17.0083991915257 2898314 CCC1=CC=C(C=C1)OCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=C(C=C2)C)C 1 6.916 3 2 -19.229948576146 2898312 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)[N+](=O)[O-] 1 2.476 2 5 0 -17.3056133948887 2898307 CC1=NC2=CC=CC=C2N1C(C)C3=CC=CC=C3 1 3.773 2 0 -0.473272457067919 2898295 CC1(C2(CCC1(OC2=O)C(=O)NCC3=CC=CC=C3)C)C 1 2.535 1 3 -11.7336262673477 2898286 CC(=O)C1=NN(C(N1C2=CC=C(C=C2)OC)C3=CC=CS3)C4=CC=CC=C4 1 4.642 3 2 -9.56410792340684 2898275 CC1=C(C=C(C=C1)C(=O)COC(=O)CNC(=O)CC2=CC=CC=C2)[N+](=O)[O-] 1 2.416 2 6 0 -20.5905111163958 2898272 COC1=CC(=CC(=C1OC)OC)C2CC(=O)N3C4=CC=CC=C4N=C3S2 1 3.916 2 4 -6.30833804851982 2898271 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 3.44 3 3 -3.2321709801153 2898270 CCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1CCCCCC1 1 5.136 3 1 -25.0112721918362 2898267 C1CN(CCN1)C2C(C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl 1 3.268 3 2 -5.66431847564379 2898262 CC1CC2=CC=CC=C2N1C(=O)C34CCC(C3(C)C)(C(=O)C4)C 1 3.238 1 2 -11.662810759628 2898250 CC1(C2(CCC1(OC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC)C)C 1 2.383 1 5 -12.2568266192094 2898247 CC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CC=CC=C3OC)C 1 3.515 1 2 -6.26594655239181 2898241 CC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CC=CC=C3Br)C 1 4.28 1 1 -4.58471655282329 2898234 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC=C(C=C2)Br 1 2.128 2 3 -7.89189524270957 2898231 COC1=C(C=C(C=C1)C2CC(=O)N3C4=CC=CC=C4N=C3S2)OC 1 3.932 2 3 -6.85909086414991 2898227 CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)SC.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 3.633 1 1 8.52007798874039 2898223 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC3=C(C=C2Br)OCO3 1 1.896 2 5 0 -11.3136493977271 2898220 CC12CCC3C1(COC2(C3)C(=O)NCCC4=CC=CC=C4)C 1 2.685 1 2 -7.72977043808178 2898215 CC1=C(C=C2C(=C1)C(CC(=O)N2)C3=C(C=CC(=C3)Br)F)C 1 4.486 1 1 -2.72321340085571 2898209 CC1=CC=C(C=C1)NC(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.961 2 2 -6.54732006299253 2898205 C1C(SC2=NC3=CC=CC=C3N2C1=O)C4=CC=CS4 1 3.812 2 1 -5.68488556622606 2898201 CC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CC(=C(C(=C3)OC)OC)OC)C 1 3.482 1 4 -6.96465725057 2898194 COC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl 1 5.308 0 4 -8.52341688841265 2898174 CC1(C2(CCC1(OC2=O)C(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C)C 1 4.324 1 3 -9.6582978314375 2898173 CC1(C2(CCC1(OC2=O)C(=O)N3CCCC4=CC=CC=C43)C)C 1 3.265 1 3 -11.0977199240086 2898168 CC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CC=CC=C3F)C 1 3.737 1 1 -5.23502347342685 2898131 C1CC(OC1)CNC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-] 1 1.649 4 3 0 -9.43756217881585 2898129 CC12CCC3C1(COC2(C3)C(=O)NC4=NC=C(C=C4)Cl)C 1 2.41 2 2 -2.52221328696905 2898124 CCOC1=CC=CC=C1C2CC(=O)NC3=CC(=C(C=C23)C)C 1 3.864 1 2 -8.54962181632886 2898120 CCC1=CC=C(C=C1)OCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2OC 1 5.927 3 3 -19.9282792780872 2898111 CC1=C(C=C2C(=C1)C(CC(=O)N2)C3=C(C(=C(C=C3)OC)OC)OC)C 1 3.482 1 4 -7.16138589590745 2898109 CC(C(=O)O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=C(C=C3)OC 1 3.311 0 6 -7.21651120885027 2898108 CC12CCC3C1(COC2(C3)C(=O)NC4=CC=C(C=C4)F)C 1 2.562 1 2 -4.28568986016399 2898097 CC(=O)C1=NN(C(N1C2=CC=CC=C2)C3=CC=CS3)C4=CC=CC=C4 1 4.658 3 1 -9.97746065648025 2898095 CN(C)C(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F 1 2.211 2 3 -11.0852606190227 2898093 CC1(C2(CCC1(CC2=O)C(=O)N3CCCC4=CC=CC=C43)C)C 1 3.317 1 2 -11.5679317713594 2898081 C1CN(CCN1C2C(C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6 1 4.063 3 3 -8.60254146462933 2898080 COC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCCCC2.[Cl-] Cl- 1 0.416 2 3 0 -9.24820300274561 2898064 CC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.371 2 6 0 -18.7385018953995 2898060 C1C(SC2=NC3=CC=CC=C3N2C1=O)C4=CC=CO4 1 3.253 2 2 -6.35448849860478 2898055 CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C4N3C=CC=N4)C 1 3.239 5 0 5.34538946840549 2898054 C1CN(CCN1)C2C(C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=CC=C5 1 2.603 3 2 -8.47972103199155 2898051 CCOC(=O)CN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC4=C(CCCC4)C=C3)O 1 3.409 1 5 -14.5984138628154 2898048 CC(C1=CC=CC=C1)N2C=NC3=CC=CC=C32 1 3.512 2 0 -3.01288893779239 2898047 C1COCCN1C(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)Cl 1 4.199 3 2 -20.6557831599991 2898037 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3 1 2.978 2 4 -3.65821939949366 2898027 C1CC(=O)NC(C1[N+](=O)[O-])C2=C(C(=CC=C2)Cl)Cl 1 2.708 2 3 -9.41723529695465 2898020 CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F 1 2.937 2 3 -16.3276219402209 2897994 CC1(C2(CCC1(CC2=O)C(=O)N3CCCCC3)C)C 1 2.127 1 2 -9.56570771550837 2897983 C1=CC=C(C=C1)C2(C(C2C(=O)O)C(=O)O)C3=CC=CC=C3 1 2.26 0 4 -2.52348094859849 2897980 CC1=CC(=C(C(=C1C)C(=O)COC(=O)CNC(=O)CN2C(=O)C3=CC=CC=C3C2=O)C)C 1 2.829 2 6 0 -16.9781755983577 2897978 CC(C1=CC=CC=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC 1 3.292 1 7 0 -13.9166590019103 2897965 CC1=C(SC(=C1C#N)N2C(=O)C3C4CC(C3C2=O)C=C4)C 1 1.984 2 2 0 -2.91515347610478 2897945 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)[N+](=O)[O-] 1 2.932 2 5 0 -17.288610445008 2897943 C1OC2=C(O1)C=C(C=C2)N3C(=O)C4=CC=CC=C4C3(CC5=CC=CC=C5)O 1 3.626 1 4 0.759127518582714 2897928 C1=CC(=CC(=C1)[N+](=O)[O-])C(=NOC(=O)C2=CC=NC=C2)N 1 1.13 4 4 0 -2.0663882859683 2897926 CCC(CC)C(=O)NC12CC3CC(C1)CC(C3)C2 1 3.558 1 1 -7.04615247213904 2897925 CCCC1=CC=C(C=C1)OC(=O)NC(=O)CCSC(=S)N(CC)CC 1 5.612 2 3 -9.10511557947936 2897921 CC(C(=O)NC1CC(NC(C1)(C)C)(C)C)OC2=CC=CC=C2 1 2.097 2 2 -15.0508791189083 2897893 C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C3=CC=CC=C3 1 3.659 2 4 -19.2427521744034 2897870 C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)O 1 2.421 2 4 -14.8006010645188 2897840 CC(C(=O)NC1=CC(=CC(=C1)OC)OC)OC2=CC=CC=C2 1 2.901 1 4 -11.3979124870343 2897839 CC1CCC2=C(N1C(=O)NC3=CC=CC=C3OC)C=CC(=C2)F 1 3.826 2 2 -8.76869827463142 2897836 CC(C(=O)NC1CCCCCCC1)OC2=CC=CC=C2 1 4.128 1 2 -9.69591680124946 2897831 CC(C(=O)NC1=CC=CC=C1C(=O)OC)OC2=CC=CC=C2 1 2.789 1 4 -14.5077334044738 2897827 CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2 1 2.103 2 4 -18.6389079588997 2897820 CC(C(=O)NC1=CN=CC=C1)OC2=CC=CC=C2 1 1.783 2 2 0 -8.78593943439855 2897818 COC(CNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])OC 1 2.344 3 4 0 -13.7424527954737 2897816 CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC=CC=N5)C(=O)C1)C 1 4.413 3 2 -27.4557685607252 2897814 COC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)F 1 2.611 1 2 -18.9858143877577 2897810 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)C(=O)OCC 1 2.024 2 5 0 -1.92124939877928 2897807 CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSCCO 1 0.122 2 5 0 -18.9822205001854 2897805 C1CC(OC1)CNC(=S)NC2=CC=C(C=C2)Cl 1 3.535 2 1 -9.94028881756973 2897769 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CN3CCC(CC3)CC4=CC=CC=C4)OC 1 5.641 2 3 -5.22117930263421 2897767 CS(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)C(F)(F)F 1 3.448 3 3 -8.67740412227402 2897766 CC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3SC2=S 1 3.655 1 2 -8.6103250695099 2897754 CC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=CO4 1 2.186 2 3 -28.5025292008446 2897727 C1=CC(=CN=C1)C(=O)NC(C2=CC=C(C=C2)Cl)C3=CC(=C4C=CC=NC4=C3O)Cl 1 4.356 3 2 -3.70280636307361 2897724 CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)OC)[N+](=O)[O-] 1 3.154 3 8 0 -21.0860891717941 2897720 CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)OC 1 3.075 1 3 -11.2564145447834 2897715 C1CN(CCN1C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-] 1 4.572 4 2 -9.1169100919305 2897699 C1C(OC2=CC=CC=C2O1)C(=O)NCC3=CN=CC=C3 1 1.243 2 3 0 -8.09382415028241 2897696 COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=CC=C3C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-])OC 1 4.005 2 7 0 -23.0921541322356 2897692 CC1=CC(=NN1CC(CN2C3=CC=CC=C3SC4=CC=CC=C42)O)C 1 4.09 3 1 -2.05596995856437 2897686 C1OC2=C(O1)C=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N 1 0.888 3 4 0 -12.9363013868063 2897685 CC(C)OP(=O)(C1(C2=C(C=CC(=C2)Br)NC1=O)O)OC(C)C 1 1.938 1 5 0 -4.99798681294475 2897684 CS(=O)(=O)N(CC(=O)NC1CC2CCC1C2)C3=CC=C(C=C3)OC4=CC=CC=C4 1 3.168 2 4 -10.3618636755393 2897661 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N(CC3=CC=CC=C3)S(=O)(=O)C 1 2.153 3 5 0 -12.8646517796002 2897643 CC(C(=O)NC1=CC=CC=C1F)SCC2=CC=CC=C2 1 3.704 1 1 -9.15801262199926 2897631 C1=CC(=CC=C1NC(=S)NCC2=CC=NC=C2)[N+](=O)[O-] 1 2.839 4 2 -9.93783374165929 2897627 CC1=C(C=CC(=C1)Cl)NC(=O)C2COC3=CC=CC=C3O2 1 3.538 1 3 -1.61661039646679 2897623 CC1CCN(CC1)CC(=O)N2CC(=O)NC3=CC=CC=C32 1 1.137 3 2 0 -14.4078187034296 2897621 COC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2=CC=NC=C2 1 1.815 2 3 0 -1.38729340233295 2897606 C1CC2CC1CC2NC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-] 1 2.934 2 3 -11.4697516859243 2897602 CS(=O)(=O)N(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=CC(=CC=C3)Cl 1 2.417 3 3 -7.46658860716877 2897594 CCC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CN=CC=C4 1 2.414 3 2 -28.4960047948451 2897589 CC1(CCS(=O)(=O)C1)NC(=O)NC2=CC=CC=C2 1 0.658 2 3 0 -8.38115192026274 2897584 CCN(CC)CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)O 1 4.2 2 1 -1.18154858551859 2897540 COC1=C(C=C(C=C1)Cl)S(=O)(=O)NCC2=CN=CC=C2 1 1.822 2 3 0 -4.74297058598248 2897529 CC(C(=O)NC1=CC2=C(C=C1)OCO2)SCC3=CC=CC=C3 1 3.267 1 3 -11.4801139674062 2897522 CCC1=NC(=CN1S(=O)(=O)C2=C(C(=C(C=C2)Cl)Cl)Cl)C 1 4.278 2 2 -3.63745339215481 2897509 C1CS(=O)(=O)CC1NC(=O)OC2=CC=CC=C2 1 1.101 1 4 0 -12.082003293412 2897471 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 4.097 3 6 0 -15.8235375954939 2897467 CCCC(CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)C(=O)O 1 1.332 2 5 0 -16.1095631853717 2897464 C1=CC(=CC=C1CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])F 1 4.195 3 2 -8.70195226541801 2897425 CCN(CC)CC(COC1=CC2=C(C=C1)N(C(=C2C(=O)C)C)C3=CC=CC=C3)O 1 4.1 2 3 -8.56791787693038 2897418 COC1=C(C=C(C=C1)Cl)NC(=O)C(C2=CC=CC=C2)OC 1 3.053 1 3 -19.1213120280931 2897417 C1CC2CC1CC2NC(=O)C3COC4=CC=CC=C4O3 1 2.412 1 3 -1.74100421208675 2897391 C1CC2CC1CC2NS(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.128 1 4 -8.05050283657826 2897386 CCCCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-] 1 3.735 3 2 -13.0422075592582 2897360 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCSC3=CC=CC=C3 1 2.717 1 4 -7.90539173500861 2897350 CC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CN=CC=C4 1 1.747 3 2 0 -26.6123210296422 2897347 CC(=NNS(=O)(=O)C1=CC=CC=C1)CC(C)(C)C2=CC=CC=C2 1 3.306 2 2 -6.16613668566816 2897332 C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-] 1 4.777 4 2 -8.14372987132301 2897323 CC1=CS(=O)(=O)CC1SC2=NC3=CC=CC=C3[NH2+]2.[Br-] Br- 1 2.005 2 2 -3.19447691338507 2897320 CC1=CC(=CC(=C1)N(CC(=O)NC2CC3CCC2C3)S(=O)(=O)C)C 1 2.58 2 3 -12.4772009308411 2897302 C1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CS4)C(=O)C1 1 3.227 2 1 -25.4582056380669 2897271 CS(=O)(=O)N(CC(=O)NCCSCC1=CC(=CC=C1)Cl)C2=CC=CC=C2F 1 3.074 2 3 -18.5124258979027 2897270 CC1=CC=CC=C1CNC(=O)C(C2=CC=CC=C2)OC 1 2.898 1 2 -19.8841765085815 2897268 C1=CC=C2C(=C1)N=NN2CC(CN3C4=CC=CC=C4SC5=CC=CC=C53)O 1 4.823 4 1 -1.59617383987727 2897256 CC1(CCS(=O)(=O)C1)NC(=O)NC2=CC=CC3=CC=CC=C32 1 1.567 2 3 0 -10.3280843619247 2897252 CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O 1 3.912 2 4 -5.02707857712527 2897236 COC(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2F 1 2.611 1 2 -20.3321596330779 2897218 COC1=CC(=C(C=C1)OC)N(CC(=O)NCC2CCCO2)S(=O)(=O)C3=CC=CC=C3 1 1.909 2 6 0 -22.8908658230749 2897194 C1CC2CC1CC2NC(=O)C3=CC=C(C=C3)CN4CCOCC4 1 2.401 2 2 -3.39979637597601 2897188 COC1=CC=CC=C1CNC(=O)C2COC3=CC=CC=C3O2 1 2.378 1 4 -8.16917756057078 2897162 CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=NC=C2)C3=CC=C(C=C3)OC)[N+](=O)[O-] 1 2.38 4 6 0 -21.9175670209676 2897144 CC1=CC=C(C=C1)NC(=S)NCC2CCCO2 1 3.357 2 1 -11.7622875081566 2897136 C1=CC=C(C=C1)N2C=CC=C2C=NNS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 4.462 3 2 1.32989289546275 2897124 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=C4 1 4.787 3 2 -1.24100877346322 2897119 CC1=C(C(=NN1CC(CN2C3=CC=CC=C3SC4=CC=CC=C42)O)C)Br 1 4.838 3 1 1.99876365984272 2897104 CC1(CC(C(=O)O1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C 1 1.549 2 5 0 -10.6104003229559 2897094 CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2CC3CCC2C3)C4=CC=C(C=C4)OC)[N+](=O)[O-] 1 3.549 3 6 0 -17.4709140786877 2897092 C1OC2=C(O1)C=C(C=C2)NC(=O)CC3C(=O)NC4=CC=CC=C4N3 1 1.233 3 4 0 -18.1178009570424 2897086 C1CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC=CC=N5)C(=O)C1 1 3.955 3 2 -26.445629515511 2897084 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-] 1 2.701 2 4 -15.1231851828211 2897080 CC(C)C(C(C)C)NC(=O)C(C1=CC=CC=C1)OC 1 3.241 1 2 -18.9136562078472 2897066 CC1=C(C=C(C(=C1)OC)C(C)C)N.Cl Cl- 1 2.747 1 1 3.32072319644444 2897065 CC1=CC=C(C=C1)CSCCNC(=O)C2=CC=C(C=C2)OC 1 3.705 1 2 -8.85325610553911 2897063 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C 1 1.284 3 4 0 -11.7450594816611 2897054 COC1=CC=CC(=C1)N(CC(=O)NC2CC3CCC2C3)S(=O)(=O)C4=CC=CC=C4 1 3.168 2 4 -13.5990028404677 2897038 COC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CN3CCC(CC3)CC4=CC=CC=C4 1 5.657 2 2 -1.22306457426518 2897022 CC1CC(C(=O)O1)CC(=O)NC2=CC=C(C=C2)C 1 1.935 1 3 0 -5.86244985658776 2897020 COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)F)C4=CC(=CC=C4)[N+](=O)[O-])OC 1 4.581 2 5 0 -19.1979956089781 2896998 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.155 1 5 -4.89729039942856 2896981 CC1=CC=C(C=C1)C2CC(=CC(=O)C2)NCC3=CC=CC=C3 1 3.744 1 1 -8.65641735409399 2896970 CCOC1=CC=CC=C1N(CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C 1 2.529 2 4 -20.2318693234682 2896965 CC1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3=CC=CS3 1 2.409 2 2 -12.9958222121717 2896920 C1CN(CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(F)(F)F 1 6.288 2 1 0.82775322920229 2896916 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C34CC5CC(C3)CC(C5)C4 1 3.97 2 1 2.97198954186189 2896894 C1CC(OC1)CNC(=O)CSCC2=CC=C(C=C2)Cl 1 2.461 1 2 -15.5360803254405 2896870 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.183 3 3 6.40738047553827 2896865 CCCCOC(=O)NC1(CCS(=O)(=O)C1)C 1 1.058 1 4 0 -11.5372916282371 2896853 CCCN(C1CCS(=O)(=O)C1)C(=S)NC2=CC=CC=C2 1 3.428 2 2 -17.8398210544559 2896830 CC1CCCC(N1S(=O)(=O)C2=C(C=CC(=C2)OC)OC)C 1 2.586 1 4 -8.71258377597564 2896826 COC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.44 2 4 -34.0366077321013 2896825 CC(C1=CC=CC=C1)N2C3=CC=CC=C3N=C2CCCO 1 3.67 2 1 -0.326701028555372 2896806 C1CN2C(=O)C(=CC3=CC=C(O3)CNC(=O)C(=O)NC4=CC=CC=C4)SC2=N1 1 1.758 4 4 0 -18.7234705784292 2896771 COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)OC 1 2.311 3 3 -16.5902361041033 2896762 CC1CCN(CC1)CC(CN2C3=CC=CC=C3SC4=CC=CC=C42)O 1 4.671 2 1 -1.14788023872079 2896760 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-] 1 4.146 3 3 -12.4901356351619 2896754 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])OC 1 3.627 3 5 0 -14.9906661225263 2896747 COC1=C(C=C(C=C1)Cl)NC(=O)C2COC3=CC=CC=C3O2 1 3.035 1 4 -1.96861390976989 2896733 CC1=C(C=C(C=C1)S(=O)(=O)NCCSC2=CC=CC=C2)[N+](=O)[O-] 1 3.312 2 4 -7.01806221741996 2896732 CCOC(=O)C1=CC=CC=C1NC(=O)CC2C(=O)NC3=CC=CC=C3N2 1 1.669 3 4 0 -22.8925096013535 2896717 CC1=CC(=O)OC2=C1C=CC(=C2)OC(CC(C)C)C(=O)OC 1 3.752 0 5 -12.6711563023274 2896696 CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)C 1 3.317 3 1 -11.5425536528633 2896685 CC1=CC(=C(O1)C)C(=O)NC(CC2=CC=CC=C2)C(=O)O 1 1.954 1 4 0 -13.4418665773285 2896675 C1=CC(=C(C=C1Cl)Cl)NC(=S)NCCCN2C=CN=C2 1 3.645 4 0 -4.08897767283506 2896669 COC1=C(C=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC(=O)C4=CN=CC=C4)OC 1 3.659 3 4 0 -8.50929154224964 2896660 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)C4=CC=CC=C4 1 5.131 2 2 4.83050420176494 2896655 COC1=CC=C(C=C1)CNC(=O)C2COC3=CC=CC=C3O2 1 2.378 1 4 -5.88650673249246 2896642 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=CC=CC=C3 1 2.585 3 2 -15.5257140182694 2896630 C1CN(CC2=CC=CC=C21)C(=O)C3COC4=CC=CC=C4O3 1 2.675 1 3 -10.8994587853709 2896625 CC1=C(SC(=C1C(=O)OC)NC(=O)CC2C(=O)NC3=CC=CC=C3N2)C 1 1.738 3 4 0 -24.820852143894 2896566 CC(C)OP(=O)(C1(C2=CC=CC=C2NC1=O)O)OC(C)C 1 1.189 1 5 0 -6.55163845183414 2896577 CN(C1CCS(=O)(=O)C1)C(=S)SCC2=CC=CC=C2 1 3.295 1 2 -14.9083160290961 2896605 CCC(C)C12CN3CCN(C1)CC(C3)(C2=O)C 1 1.68 2 1 0 -5.55469571694342 2896545 CCCCN(C1CCS(=O)(=O)C1)C(=S)NC2=CC=CC=C2 1 3.884 2 2 -18.427552675568 2896543 CC(C(=O)NCCC1=CC=C(C=C1)OC)SCC2=CC=CC=C2 1 3.81 1 2 -9.99846501285131 2896536 C1COCCN1C(=O)CN2C=NC3=CC=CC=C3C2=O 1 -9.1e-002 3 3 0 -12.9015090318102 2896535 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl 1 4.242 2 3 -3.99919287772689 2896518 C1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC(=O)C4=CN=CC=C4 1 3.691 3 2 -6.62177618412185 2896483 C1CC(OC1)CNC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 4.199 2 1 -10.1421988149431 2896480 CC1=CC=C(C=C1)CNC(=O)C2COC3=CC=CC=C3O2 1 2.88 1 3 -5.47354052334832 2896475 CCCCSC(=S)N(C)C1CCS(=O)(=O)C1 1 3.041 1 2 -14.0269626758734 2896473 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-] 1 3.611 3 6 0 -13.9124707054636 2896464 CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)Cl 1 3.924 1 3 -6.32597192773061 2896452 COC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)N 1 1.407 2 3 0 -23.7655262451303 2896448 C1C(C=CS1(=O)=O)OC(=O)NC2=CC=CC3=CC=CC=C32 1 1.882 1 4 0 -5.5767924552786 2896428 CC1=C(C=C(C=C1)Cl)NC(=O)C2COC3=CC=CC=C3O2 1 3.538 1 3 -1.16272231894415 2896403 COC1=CC(=CC(=C1OC)OC)C2CC(=CC(=O)C2)O 1 1.853 0 5 0 -8.12481720110157 2896390 CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC 1 2.671 3 6 0 -16.7249791478613 2896381 CCOC(=O)C1CCCN(C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)N4C(=O)CC(C4=O)N5CCCC(C5)C(=O)OCC 1 1.824 4 8 0 -2.20908638994759 2896372 CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3=CC=C(C=C3)OC)[N+](=O)[O-] 1 2.38 4 6 0 -23.9164519706008 2896347 CC1=CS(=O)(=O)CC1SC2=NC(=N[NH2+]2)C.[Br-] Br- 1 0.398 3 2 0 -1.96864906851434 2896322 CC1=C(N(C2=CC=CC=C12)CC(CNC3=CC=C(C=C3)OC)O)C 1 3.891 2 2 1.08059403224295 2896320 CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.899 4 2 -10.3685480503391 2896301 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCC3=CNC4=CC=CC=C43 1 3.01 3 3 -10.237720769068 2896291 CC1=C(N(C2=CC=CC=C12)CC(CN3C(=O)C4=CC=CC=C4S3(=O)=O)O)C 1 2.834 2 4 5.35425232280607 2896290 CC1CN(CCN1C(=O)C2=CC(=CC=C2)C)C(=O)C3=CC(=CC=C3)C 1 3.475 2 2 -8.08280491956498 2896285 CC1=C(N(C2=CC=CC=C12)CC(CN3CCCCCC3)O)C 1 3.962 2 1 3.67480102417326 2896280 CN(C)C(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4 1 3.94 4 1 -11.1961858257514 2896277 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C4=CC=CC=C4 1 3.385 3 5 0 -12.1871280681242 2896228 CC1=C(C(NC(=O)N1C)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC 1 0.578 3 6 0 -17.0963087763495 2896216 CCCCS(=O)(=O)CC(COC1=CC=CC=C1)OC(=O)C2=CC=CC=C2 1 4.273 0 5 -7.07653358988222 2896212 CC(C(=O)NC1=CC=NC=C1)OC2=C(C=C(C=C2)Cl)Cl 1 3.112 2 2 -7.0283268077511 2896208 CCCCS(=O)CC(COC)OC(=O)C1=CC=CC=C1 1 2.413 0 4 -3.67514459076408 2896205 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC=C 1 4.286 6 2 0 -15.0329571591609 2896162 CCCCS(=O)CC(COC1=CC=C(C=C1)Cl)OC(=O)C2=CC=CC=C2 1 4.841 0 4 0.850977296527382 2896079 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)Cl)O)OC)C3=CC=CC=C3 1 3.054 2 5 0 -19.4230533378761 2896074 C1=CC=C(C(=C1)CSC2=NC3=C(C4=CC=CC=C4NC5(O3)C6=C(C=CC(=C6)F)NC5=O)N=N2)Cl 1 5.978 5 2 0 -13.4836613412132 2896073 C1CN(C2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)F 1 3.754 3 2 -5.94395133638689 2895973 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC2=C(C=C(C=C2)Cl)Cl 1 3.383 2 3 -9.80095419816409 2895957 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(S2)Br)C 1 1.828 2 3 0 -24.9945847753646 2895954 CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CN(C5=CC=CC=C54)C 1 4.543 5 2 0 -5.86009350997364 2895915 CC1=CC2=C(C=C1)N(C(=O)C2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)C 1 3.971 1 3 5.02896546725734 2895908 CCOC(=O)C1=C(NC(=S)NC1C2=CSC=C2)C 1 2.363 2 2 -28.2950174795927 2895900 C1CN(C2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5 1 3.548 3 2 -7.10551396227373 2895842 C1C2CN(CC1C3=CC=CC(=O)N3C2)S(=O)(=O)C4=CC=C(C=C4)F 1 1.031 2 3 0 -12.8984604248941 2895799 CC(C1=CC=CC=C1)C2=NN=C(S2)NC(=O)NC3=CC=CC=C3OC 1 3.402 4 2 -13.2431562192617 2895796 CCOC1=C(C=CC(=C1)C=NN2C=NN=C2)OCCOC3=C(C=C(C=C3)CC=C)OC 1 3.984 4 4 0 -10.1531930245538 2895788 CC1=CC2=C(C=C1)N(C3=NC4=NN=C(N4N=C23)SCC=C)CC=C 1 4.882 6 0 -10.2494313067028 2895780 CC1=C(C(NC(=O)N1C)C2=CSC=C2)C(=O)OC 1 0.932 2 3 0 -18.7186203015673 2895747 CC1=NC(=CC=C1)NC(C2=CC=C(C=C2)O)C3=C(C4=C(C=CC(=N4)C)C=C3)O 1 4.49 3 2 3.14672970015695 2895742 CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC 1 4.687 3 5 0 -21.9950111332325 2895736 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl 1 3.739 2 3 -7.80379110959 2895710 C1=CC=C(C=C1)CCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 3.957 2 3 -9.81898787734883 2895698 CC1=CC=CC2=C3C(=NC4=NN=C(N4N3)SCC=C)N=C12 1 4.011 6 0 -7.96349573543994 2895661 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC(=CC=C4)NC(=O)C5=CC=CS5 1 2.425 2 3 -3.07433652526948 2895653 C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC=CO5)N=N2 1 5.51 4 2 -14.7311465853829 2895629 CC1=C(C=CC(=C1)C2(C3=C(C=CC(=C3)Br)N(C2=O)C)C4=CC(=C(C=C4)O)C)O 1 5.205 1 3 8.44036102681149 2895605 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3(C4=C(C=CC(=C4)F)NC3=O)C5=C(N(N(C5=O)C6=CC=CC=C6)C)C 1 2.666 5 3 0 -9.48121343174862 2895604 CCCCS(=O)CC(CS(=O)CCCC)OC(=O)C1=CC=C(C=C1)C 1 3.861 0 4 -1.18261994332433 2895603 CC1=C(C2=CC=CC=C2N1CCOC3=CC=CC(=C3)OC)C=NN4C=NN=C4 1 3.305 5 2 0 -2.34631745201834 2895599 COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC=CC=C3SCC4=CC=CC=C4 1 5.03 4 2 -12.4679847733068 2895424 C=CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CN=CC=C4)N=N1 1 3.993 5 1 -10.4044091670445 2895288 CCCCS(=O)CC(CS(=O)CCCC)OC(=O)C1=CC=CC=C1 1 3.375 0 4 -1.97826751083367 2895285 CC1=C2C(=CC(=C1)Br)C(C(=O)N2C)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O 1 4.719 1 3 3.94784399911862 2895276 C1=CC=C(C(=C1)CSC2=NC3=C(C4=CC=CC=C4NC5(O3)C6=C(C=CC(=C6)Cl)NC5=O)N=N2)F 1 5.978 5 2 0 -12.9579184573256 2895249 CC1=CC(=NC=C1)NC(C2=CN=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O 1 3.03 4 1 -0.172408738547832 2895248 CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(O2)C3=C(C(=CC=C3)Cl)C)C 1 4.95 2 3 -22.0171877300274 2895237 C1COCCN1CCCNC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)Cl)[N+](=O)[O-] 1 2.871 4 4 0 -7.79067114811999 2895217 CC1CCN(CC1)C2(C3=C(C=CC(=C3)Br)NC2=O)O 1 2.479 2 2 -6.84593999164548 2895148 CCN1C2=CC=CC=C2C(C1=O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O 1 3.834 1 3 1.68506445682163 2895145 CC(=O)NC1=C(C=CC(=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3)Cl 1 1.277 2 4 0 -6.30501565669732 2895063 C1CN(CCN1CCN2C(=O)C3C4CC(C3C2=O)C=C4)CC5=CC=C(C=C5)[N+](=O)[O-] 1 1.684 4 4 0 -2.2057725563241 2895030 C1CCC(CC1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)C6CCCCC6 1 2.425 2 4 -5.52318879059866 2895005 C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OC(C4=CC=CC=C4)C(=O)O 1 4.562 0 5 -9.75563921404216 2895000 C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)F)[N+](=O)[O-] 1 4.052 4 3 0 -1.52173862869907 2894984 CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OC(C4=CC=CC=C4)C(=O)O 1 4.547 0 5 -13.9773045087321 2894970 C1CC2C(C2(Cl)Cl)CCC3C1C3C(=O)NC4=CC=C(C=C4)Cl 1 4.242 1 1 -2.75734063195315 2894969 CCOC1=CC=CC=C1NC(=O)C2C3C2CCC4C(C4(Cl)Cl)CC3 1 3.91 1 2 -7.86944276524303 2894958 C1=CC=C(C=C1)C(C(=O)O)OC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3 1 4.134 0 5 -13.8445213417354 2894937 CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C)C=O 1 3.274 3 3 -3.51755511616657 2894929 CCC1=CC=C(C=C1)OCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2C 1 6.43 3 2 -19.0323002551593 2894928 CCC1=CC=C(C=C1)OCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)Cl 1 6.608 3 2 -16.0469858383462 2894925 CCOC(=O)C1=NNC(C1C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl 1 3.482 2 4 -4.35040948275618 2894914 C1CC12C3C=CC2C4C3C(=O)N(C4=O)NC(=O)COC5=CC(=C(C=C5)Cl)Cl 1 2.194 2 4 -5.86809114465887 2893878 CC(C1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.86 2 5 0 -13.9222929455228 2893866 C1CC(CN(C1)C(=O)C2=CC=CO2)C3=CC=CC=C3 1 2.907 1 2 -0.996764459441377 2893826 CC(C)N(C)CCOC(=O)C1COC2=CC=CC=C2O1.Cl Cl- 1 2.323 1 4 -4.93998083852624 2893820 CC(=O)NC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)NC(=O)C 1 2.004 3 3 -7.5136822223309 2893811 COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=CC=C3)N)C(=O)OC 1 1.523 4 6 0 -11.8095382038446 2893806 CC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.457 4 3 0 -9.8233736633689 2893801 C1CCN(C(C1)C2=CN=CC=C2)C(=O)NC3=C(C=C(C=C3)F)F 1 2.942 3 1 -0.995789195515094 2893787 C1=CC=C(C=C1)CC(C(=O)O)N2C3C(NC(=O)N3)NC2=O 1 0.322 4 4 0 -10.8764298687012 2893786 C1=CC=C(C=C1)CC2C(=O)NC(=NC2=O)SCC(=O)NC3=NC=CC=N3 1 1.748 5 3 0 -19.440328749114 2893763 C1COCCN1C2=C(C=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5)C(=O)O 1 1.166 2 5 0 -1.14420061796794 2893758 COC1=C(C=C(C=C1)S(=O)(=O)NC2CC3CCC2C3)Br 1 3.074 1 3 -4.4199326620611 2893753 CC(CC1=CC=CC=C1)C(=O)NC(C)C2=C(C=CC(=C2)OC)OC 1 3.919 1 3 -7.33741789130312 2893749 C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CO3 1 4.031 4 4 0 -7.32797784139825 2893737 CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC)C(=O)C(=CC4=CC=C(C=C4)C(=O)O)S2)C 1 4.066 2 6 0 -28.7950200862481 2893734 CC(CC(=O)NC(C)C1=CC2=C(C=C1)OCCO2)C3=CC=CC=C3 1 3.527 1 3 -9.86999336085435 2893730 C1CCN(C1)C(=S)NC23CC4CC(C2)CC(C4)C3 1 3.797 2 0 -9.59926195728884 2893720 CCOC1=CC=C(C=C1)C(C)NC(=O)C2=CC=CC=C2F 1 3.536 1 2 -9.27549276923124 2893707 CC1(CC2=C(C(=NC(=C2CN1C)N3CCOCC3)SCC=C)C#N)C 1 3.375 4 1 -12.0853556930475 2893685 C1=CC=C(C=C1)C(CC(=O)NC2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CC=C4 1 4.443 2 2 -14.770733109924 2893681 CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OC 1 3.553 4 2 -14.494153008136 2893671 COC1=CC=CC(=C1)C(CC(=O)NC2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CC=C4 1 4.426 2 3 -14.0371701138449 2893670 CCN(CCCC(=O)C1=CC=C(C=C1)F)CCC2=CC=CC=C2.Cl Cl- 1 4.604 1 1 0.230692680289596 2893657 CCC1=C(C(C(OC1=O)C2=CC=CC=C2)(C)C)OC(=O)C3=CC=CC=C3 1 4.953 0 4 -8.58449559989782 2893620 CCOC(=O)C1=CCN(CC1)CC2=CC=CC=C2.Cl Cl- 1 2.675 1 2 -5.04155026877147 2893617 COC1=CC=C(C=C1)NC(=O)N2CCCCC2C3=CN=CC=C3 1 2.514 3 2 -1.9444685453985 2893616 C1CN(CCC2=CC=CC=C21)CCC(=O)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 3.589 1 3 -4.57819654143976 2893606 CC(C)N1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCN4C(=O)C5=CC=CC=C5C4=O 1 4.07 5 4 0 -16.6603228064137 2893605 C1CC2C=CC1C3C2C(=O)N(C3=O)C4=NC=CS4 1 1.14 2 2 0 0.642175079859237 2893560 C1COC(CN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3.Cl Cl- 1 3.65 1 2 -0.303202281949268 2893544 COC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)C=C3C(=O)N4CCN=C4S3 1 2.83 3 4 0 -17.7322576699542 2893538 CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)OC)C(=O)CS2)C4=CC=CC=C4 1 3.774 2 4 -20.1410403685705 2893535 CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)O)C(=O)NC1=O 1 1.836 3 4 0 -8.36495789155878 2893530 CC(C1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.86 2 5 0 -15.3979982388218 2893528 CN1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C=C2OC.Cl Cl- 1 2.093 2 2 -3.72300715918531 2893491 CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)N 1 1.827 5 1 0 -12.5377679165575 2893479 C1CC(CN(C1)C(=O)C2=CC=CS2)C3=CC=CC=C3 1 3.466 1 1 -6.41271164203767 2893455 CC(C1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=C(C=C2)Cl 1 3.63 1 3 -10.0058964675787 2893444 C1CN(CC1C2=CC=CC=C2)CCC(=O)C3=CC=CC=C3.Cl Cl- 1 3.636 1 1 5.20336833282214 2893422 C1CN(CCN1CCOCC2=CC=CC=C2)CCOC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O 1 4.162 2 4 -6.68720685221792 2893413 CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCOCC4 1 2.792 2 3 0.566391344424621 2893401 CC(C1=CC=CC=C1)NC(=O)NC(=O)C2=CC(=CC=C2)Cl 1 3.443 2 2 -6.89136456640432 2893374 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3 1 3.145 4 2 -10.4556509859986 2893350 CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3CC(=CCC3C(=O)O)Cl 1 2.58 1 6 0 -21.4912041022475 2893334 CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CN2C3=CC=CC=C3C(=O)C2=O 1 0.933 3 7 0 -12.0869328513028 2893307 CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)NC4=CC=CC=N4)C 1 3.745 4 2 -37.8672755278887 2893304 C1COCCN1CCN2C(=O)C3CC=C(CC3C2=O)Cl.Cl Cl- 1 0.494 2 3 0 -8.31190235073527 2893298 C1CC(N(C1)CCC(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4.Cl Cl- 1 4.004 1 3 -1.30191332064331 2893281 CC(C1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=CC=C2Cl 1 3.63 1 3 -11.3305108691337 2893272 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4CC=C)N=N3 1 3.319 7 2 0 -27.5831234803006 2893257 CC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)NC4=NC=CC(=C4)C)C 1 3.399 3 2 -31.942683336114 2893244 C1CN(CC1C2=CC=CC=C2)CCC(=O)C3=CC=CS3.Cl Cl- 1 3.59 1 1 1.87092680243594 2893240 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)(CC(C5)(C4)C)C 1 3.43 4 3 0 -13.2352035352557 2893217 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)Cl 1 4 2 3 -8.05818674086705 2893185 COC(=O)N1C2=CC=CC=C2C=CC3=CC=CC=C31 1 3.532 1 2 1.1510580335501 2893169 CC1=CC(=CC=C1)CC2CC(=O)N(C2=O)CCC3=CC(=C(C=C3)OC)OC 1 3.722 1 4 -7.14630999388059 2893146 CC1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-] 1 2.802 3 8 0 -10.4193274276307 2893124 CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C)C=O 1 2.5 3 4 0 -5.46110975304742 2893112 CC1=CC=C(C=C1)C(=O)C(NC2=C(C3=C(S2)CCCC3)C(=O)N)NC(=O)C4=CC=CO4 1 4.223 3 4 0 -15.7146180348026 2893095 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(C(=O)N2)C3=CC=CC=C3 1 2.405 3 5 0 -21.871016334585 2893073 C1CCN(CC1)C(=O)CC2C(=O)NC(=O)S2 1 0.611 2 3 0 -14.3951014749665 2893069 COCC(CN1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)OC 1 2.168 3 6 0 -5.35444203963664 2893058 CC1=C(C=C(C=C1)NC(=O)C2C3CCCC2C3C4=CC=CC=C4)C 1 5.008 1 1 -1.42295538956441 2893049 CN(C1=CC=C(C=C1)O)C2=NC(=O)C(S2)CC(=O)O 1 1.711 2 4 0 -6.752429936704 2893041 C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4)Cl 1 4.612 2 3 0.197575460535135 2893040 CC(=NNC(=O)CN(C1=CC=CC=C1Br)S(=O)(=O)C)C2=CC=CS2 1 2.334 3 3 -17.6812400729812 2893037 CC1=CC(=CC=C1)NC2=NC(=O)SC2CC(=O)OC 1 2.459 2 3 -6.17498672545808 2893031 COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=CC=C3)[N+](=O)[O-])C(=O)OC 1 2.164 4 8 0 -13.2174479991481 2893016 C1=CC=C(C=C1)C2C(C(C2C(=O)OCC(=O)O)C3=CC=CC=C3)C(=O)O 1 2.469 0 6 -6.75149587117073 2892994 COC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=O)S2 1 1.048 2 4 0 -11.0272608839043 2892989 C1C(C(=O)N(C1=O)C2=CC=CC=N2)CC3=CC=C(C=C3)Cl 1 2.994 2 2 -0.70259946968844 2892943 CC(C1=CC=CC=C1)NC2=NC(=S)N=C(N2)NC3=CC=C(C=C3)F 1 4.503 5 0 -1.71251043281904 2892968 C1C(CN(C1=O)C2=CC3=CC=CC=C3C=C2)C(=O)OCCNC4=NS(=O)(=O)C5=CC=CC=C54 1 2.304 3 5 0 -11.2400718418917 2892955 CNC(=O)CC1C(=O)N(C(=S)N1NC(=O)C2=CC(=CC=C2)F)CC3=CC=CC=C3 1 2.339 4 3 0 -14.3176838312866 2892927 CC1=CC(=C2C(=C1)C(=CC(N2C(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O)(C)C)C)C 1 4.411 2 3 -12.2133995795672 2892922 C1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-] 1 2.863 3 8 0 -10.2581314684733 2892906 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-] 1 2.551 3 8 0 -9.01092923362179 2892895 COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C(=O)OC 1 3.458 3 8 0 -10.2621712686668 2892892 COC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3C4=CC=CC=C4C2=O 1 3.924 1 4 -4.95523715335434 2892879 C1C(SC(=NC1=O)N)C(=O)NCC2=CC=CC=C2 1 1.126 3 2 0 -11.3651195917775 2892877 COC1=CC=C(C=C1)NC2=NC(=O)SC2CC(=O)OC 1 1.956 2 4 0 -8.69956689055451 2892861 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NN3)C 1 1.105 7 3 0 -19.5184817863803 2892852 COC1=CC=C(C=C1)C2C(=NS(=O)(=O)N2)N 1 -0.224 3 3 0 -6.1273608151576 2892850 CC1(CC(=NNC(=O)CC2=CC=CC=C2)CC(=O)C1)C 1 1.899 2 2 0 -9.94779755696294 2892846 CC1=CC(=CC=C1)CC2CC(=O)N(C2=O)CCC3=CC4=C(C=C3)OCO4 1 3.523 1 4 -4.12668329118899 2892832 CC1CC(CC(C1)(C)C)OCC(CN2CCOCC2)O.Cl Cl- 1 1.934 1 3 0 -8.11854896416685 2892806 CCC(C)N1C2=C(N=C1OC)N(C(=O)N(C2=O)C)C 1 1.675 4 3 0 -11.9019635090269 2892800 CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4 1 4.327 5 2 0 -21.5448047120378 2892798 COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)N)C(=O)OC 1 1.131 3 7 0 -10.9588226879879 2892766 C1=CC(=CC=C1C2C(=NS(=O)(=O)N2)N)F 1 -2.e-003 3 2 0 -5.00251758054821 2892738 C1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)Cl 1 3.46 2 3 -5.15337305483498 2892735 COC1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=S)N2 1 4.316 2 1 -10.7487471414893 2892728 CC(C(=O)O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)OC 1 5.203 1 5 -24.490422347506 2892700 C1=CC=C(C=C1)N2C(=O)C(N(C2=S)NC(=O)C3=CC=C(C=C3)Br)CC(=O)N 1 2.669 4 3 0 -11.4739091946277 2892697 CC1=CC2=C(C=C1)N=C(C=C2NC3=CC=C(C=C3)[N+](=O)[O-])C 1 4.229 3 2 5.91486048765951 2892691 CC1=CC(=C(N1C2=CC(=C(C=C2)NC3CCCC3)[N+](=O)[O-])C)C=O 1 3.861 3 3 -5.19254196818875 2892684 COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)OC 1 3.002 3 8 0 -10.2621712686668 2892683 CC1=CC=CC(=C1)C2C(=NS(=O)(=O)N2)N 1 0.279 3 2 0 -3.42314406202004 2892678 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C3=CC=CC=C3F)C 1 2.717 2 4 -26.0546746233638 2892672 CC1=CC(=NC2=CC=CC=C12)NC3=CC=CC=C3[N+](=O)[O-] 1 3.848 3 2 5.96802831013225 2892664 CCN(CC)CC#CCC(C1=CC=CC=C1)(C2=CC=C(C=C2)Br)O.Cl Cl- 1 5.19 1 1 0.514688787709564 2892655 CC1=C(C=CC=C1Cl)C2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 5.123 3 4 0 1.93639571410484 2892653 CC(CC1=CC=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 3.038 2 4 -6.4266882464249 2892639 COC(=O)CC1C(=NC(=O)S1)NC2=CC=CC=C2 1 1.973 2 3 0 -8.61202766869315 2892638 CCN1C(=O)C(N(C1=S)CCCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)Br 1 5.153 3 2 -12.2609083994468 2892631 C1=CC(=CN=C1)CNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 1.595 3 4 0 -7.52596742548572 2892598 CC(C)C1=CC=C(C=C1)C=NNC2=NC(=NC(=C2)N3CCOCC3)N4CCOCC4 1 2.906 6 2 0 1.13009516171651 2892595 CN1C(=O)C(N(C1=S)CCC2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)OC 1 3.567 3 4 0 -12.3807182714352 2892591 C1=CC(=CC(=C1)F)C2C(=NS(=O)(=O)N2)N 1 -2.e-003 3 2 0 -4.05196550996877 2892585 CC1=CC=C(C=C1)C(=O)C(NC2=CC=CC=C2C(=O)OC)NC(=O)C3=CC=CO3 1 3.906 2 5 0 -14.2937015812382 2892580 CCOC1=CC=CC=C1C2C3=C(CCCC3=O)OC(=C2C(=O)OCC)N 1 2.51 1 5 -24.3798278816891 2892576 CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC(=O)O)C(=O)C1)C 1 4.735 1 4 -21.4617890912837 2892566 C1=CC(=CC=C1C2C(=NS(=O)(=O)N2)N)Cl 1 0.457 3 2 0 -3.89239591542665 2892551 C1COCCN1C2=C(C=C(C=C2)C(=O)O)N3C(=O)C4C5CC(C4C3=O)C=C5 1 1.166 2 5 0 -2.12826354396385 2892550 CN1C(=O)C(N(C1=S)CCCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)F 1 4.261 3 2 -11.8198260258584 2892525 CN1C(=O)C(N(C1=S)CC(=O)OC)CC(=O)NC2=CC=CC=C2 1 1.402 3 4 0 -16.2340931228707 2892522 CCCN(CCC)CC#CC(C1=CC=CC=C1)(C2=CN=CC=C2)O 1 4.017 2 1 -4.37298192081943 2892520 COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC=C3CC=C)O.Cl Cl- 1 4.062 2 3 -6.92521551519935 2892490 CN1C(=O)C(N(C1=S)CCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)OC 1 3.583 3 3 -12.3692142339972 2892487 C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 0.745 5 5 0 -15.5479637355126 2892474 CC1CC(CN(C1)C2=C(C=C(C=C2)N3C=NN=N3)[N+](=O)[O-])C 1 2.329 6 2 0 -16.4823767471695 2892465 CC1=CC=CC=C1C2C(=NS(=O)(=O)N2)N 1 0.279 3 2 0 -5.49644621334541 2892437 CC1CC(CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C3=NNN=N3)C 1 2.911 6 2 0 -4.59867600930227 2892432 C1CC(OC1)CNC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 4.199 2 1 -8.92532810824433 2892422 C1CC2CC1CC2NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.091 1 2 -3.63558083956105 2892419 CC(CCOC1=NS(=O)(=O)C2=CC=CC=C21)NC(=O)C(=O)NC3=CC=CC=C3 1 1.83 3 5 0 -10.1654406939185 2892417 CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)C=O 1 3.73 3 3 -3.87202363033465 2892400 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3 1 2.57 1 4 -5.19595544227882 2892399 COC(=O)CN1C(C(=O)N(C1=S)CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)Br 1 3.734 3 4 0 -14.9893072405017 2892394 CCC1=CC=CC=C1N2C(=O)CC(=O)NC2=O 1 1.677 2 3 0 -7.53257242684003 2892386 CC1CCN(CC1)CC(COC2CC(CC(C2)(C)C)C)O.Cl Cl- 1 3.415 1 2 -7.09954778405568 2892377 COC(=O)CN1C(C(=O)N(C1=S)C2=CC=C(C=C2)Cl)CC(=O)NC3=CC=C(C=C3)Cl 1 4.307 3 4 0 -16.2421365468195 2892375 CC1=CC=CC=C1OC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4 1 5.05 0 4 -4.06759574108728 2892368 CC1=CC(=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC=CC=C3)CC4=CC=CC=C4)C 1 4.683 4 3 0 -16.4931334936573 2892340 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCC3=CC=CC=C3)C 1 4.388 3 3 -13.7108924121758 2892331 CC1=CC=C(C=C1)C2C(=NS(=O)(=O)N2)N 1 0.279 3 2 0 -5.71439460601346 2892327 C1=CC=C(C=C1)C2C(C(C2C(=O)OCC3=CC=CO3)C4=CC=CC=C4)C(=O)O 1 3.753 0 5 -5.02627436547429 2892269 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)Cl 1 4.098 2 2 -7.0464255564501 2892272 COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)OC 1 1.772 3 9 0 -11.8512573913796 2892282 COC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3 1 2.987 0 4 -4.03635550338857 2892288 CC1=CC(=C(C=C1)NC(=NC(=O)C)NC2=NC(=CC(=N2)C)C)Cl 1 3.025 5 1 -2.85267485273792 2892324 C1COCCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-] 1 2.608 2 6 0 -7.81911351673098 2892307 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O 1 3.543 1 6 0 -8.74792937232038 2892293 CC1=C(C=C(C=C1)N2C(=NN=N2)SC)Cl 1 2.95 4 0 -9.01949274141316 2892263 COC1=CC(=CC(=C1OC)OC)C(=O)N(CCC(=O)OC)C2=CC=CC=N2 1 2.115 2 6 0 -14.727189459835 2892249 CNC(=O)CC1C(=O)N(C(=S)N1NC(=O)C2=CC=C(C=C2)Cl)C 1 1.214 4 3 0 -13.9456168259746 2892235 CNC(=O)CC1C(=O)N(C(=S)N1NC(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F 1 2.997 4 3 0 -14.0484542305723 2892200 CCN1C(=O)C(N(C1=S)NC(=O)C2=CC(=CC=C2)F)CC(=O)NC3=CC=CC=C3Cl 1 3.345 4 3 0 -12.7316473010487 2892195 C1=CC(=CC=C1C2C(=NS(=O)(=O)N2)N)Br 1 0.541 3 2 0 -5.34905566052808 2892191 CC1=CC(=CC=C1)OC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4 1 5.05 0 4 -3.57621579033948 2892169 CC1(CC(=O)C(C(=O)C1)C(C2=CC(=CC=C2)OC)C3=C(CC(CC3=O)(C)C)O)C 1 3.196 0 5 -1.39492977897031 2892168 CCOC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)CC(=O)O 1 3.079 1 4 -9.46656871171247 2892154 CC(C)C(=O)OCCNC1=NS(=O)(=O)C2=CC=CC=C21 1 1.589 2 4 0 -10.3305571975734 2892134 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(C)C(=O)OC)C)C 1 2.853 1 5 -11.8949173889439 2892125 CC1CCCN(C1)C(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C 1 3.976 2 1 -9.3617063048581 2892111 CC(C)N1C2=CC=CC=C2N=C1CCCO 1 2.435 2 1 0.456494025584986 2892101 CN1C(=C(C(=O)N(C1=S)C)C(C2=CC=NC=C2)C3=C(N(C(=S)N(C3=O)C)C)O)O 1 2.724 5 4 0 -4.83143789853297 2892073 C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 3.235 3 3 -4.30274542724756 2892066 CC1=CC(=CC(=C1)OCC(CN2CCC(CC2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O)C.Cl Cl- 1 4.553 2 4 -2.44551273974055 2892061 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)F)/C(=O)NCCCN3C=CN=C3 1 2.004 4 2 -16.9784077975413 2892052 CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC(=O)C3=CC=CO3)C(=O)OC 1 3.18 2 5 0 -30.4719299300585 2892034 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OCC(=O)N)C 1 0.251 3 5 0 -35.0281325497854 2892025 CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OC(=O)C3=CC=CO3)C 1 3.529 2 5 0 -31.2212437984039 2891978 COC1=CC=C(C=C1)/C=C(/C(=O)NCCCN2CCOCC2)\NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.761 4 6 0 -23.1050184411127 2892022 COC1=CC=C(C=C1)/C=C(/C(=O)NCCN2CCOCC2)\NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.699 4 6 0 -22.9122310025972 2892007 CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC=C(C=C4)NC(=O)C)C(=O)CC(C3)(C)C 1 3.931 3 2 -28.6261620529378 2891993 C1C(CC(=O)C=C1NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 1 3.026 1 3 -9.98921007079975 2891989 CSC1=CC=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-] 1 1.921 2 3 0 -6.05211724772513 2891970 CC1=C(SC=C1)C2C(=C(NC(=S)N2)C)C(=O)OC 1 2.685 2 2 -24.1057476427274 2891966 C1C2C=CC1C3C2C(=O)N(C3=O)N=CC4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-] 1 2.855 3 5 0 0.139321226239025 2891958 COC(=O)C1=CC=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-] 1 1.235 2 5 0 -12.2496371951733 2891952 CC(C)C1=CC=C(C=C1)/C=C(/C(=O)NCCN2CCOCC2)\NC(=O)C3=CC=CC=C3 1 3.015 3 3 -20.9170548769535 2891946 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=C(C=CS2)C)/C(=O)NCCCN3CCOCC3 1 2.809 3 3 -19.1556588807175 2891931 COC1=C(C=C(C=C1)S(=O)(=O)NCC2CCCO2)C(=O)O 1 0.713 1 6 0 -14.2475274845498 2891928 COC(=O)C1CSC(C(=O)N1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC 1 1.561 2 6 0 -26.7318734675066 2891915 CC(C(=O)O)OC1=CC2=C(C=C1)OC(=C2C(=O)O)C3=CC=CC=C3 1 3.522 0 6 -3.26839710114615 2891914 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC3=C(C=C2)OCO3 1 1.148 2 5 0 -11.2812153386195 2891912 C1CS(=O)(=O)CC1NC(=O)C2=CC=CS2 1 0.499 1 3 0 -14.5310054369937 2891886 C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COC5=CC6=CC=CC=C6C=C5)O.Cl Cl- 1 4.489 2 4 -0.61895509740008 2891885 CC(C)COP(=O)(C(C1=CC=CC=C1F)O)OCC(C)C 1 3.328 0 4 -4.87431027764583 2891876 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NCC3=CC=NC=C3 1 2.914 3 2 -17.7108756146195 2891870 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)NCCCN3CCOCC3 1 2.337 3 5 0 -24.8997630432481 2891862 CC(C)CCN1C2=CC=CC=C2N=C1CCCO 1 3.29 2 1 -0.890755376303137 2891857 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Cl)/C(=O)NCCCN3CCOCC3 1 3.034 3 3 -18.7756557540245 2891848 CCOC1=CC(=CC2=C1C(=CC(=O)O2)C3=CC=CC=C3)C 1 4.197 0 3 -2.12482139214322 2891846 C1=CC=NC(=C1)C2=CC3=C(C=C(C=C3)OCC4=C(C=CC=C4Cl)F)OC2=O 1 5.093 1 3 -1.90365068925177 2891841 CCOC(=O)C1=C(NC(=C(C1C2=CN(N=C2C3=CC=CO3)C4=CC=CC=C4)C(=O)OCC)C)C 1 4.138 3 5 0 -7.75111757026467 2891836 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)NCCCO 1 2.617 3 6 0 -15.9157656809492 2891834 CCN(CC)C(=O)COC1=CC2=C(C=C1)OC(=C2C(=O)OC)C 1 2.081 1 5 -14.8512004219832 2891833 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 3.07 2 5 0 -12.6929539383671 2891826 COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)C=O)C4=CC=CS4 1 4.878 2 2 -5.00252693504946 2891815 COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=COC6=CC=CC=C6C5=O)C(=O)C2)OC 1 4.149 2 5 0 -30.3415553044598 2891813 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)C(C)C)/C(=O)NCCCN3CCOCC3 1 3.564 3 3 -20.3141947479597 2891810 C1C(SC2=NC3=CC=CC=C3N2C1=O)C4=CC=CC=C4 1 3.965 2 1 -3.00578002872095 2891809 CC(C)OP(=O)(C(C1=CN=CC=C1)O)OC(C)C 1 1.041 1 4 0 -7.38873258377566 2891808 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)NC(=O)C3=CN=CC=C3 1 2.913 3 2 -8.52562189183441 2891805 CC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=CS2)C(=O)OCC=C 1 2.848 1 4 -24.317745915788 2891790 CC1=CC=C(O1)C2C(=C(NC(=C2C(=O)OCC=C)C)C)C(=O)OCC=C 1 2.435 1 5 -24.8111662090428 2891779 C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)C5=CC=C(C=C5)F 1 3.292 2 4 -11.5681107037577 2891778 COC1=C(C=C(C=C1)/C=C(/C(=O)NCC2CCCO2)\NC(=O)C3=CC=C(C=C3)Cl)OC 1 2.985 2 5 0 -25.0777495683372 2891772 COC1=CC=C(C=C1)OCC(CN2CCC(CC2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O.Cl Cl- 1 3.564 2 5 0 -2.75578217098045 2891760 C1C2=C(C(SC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)O1 1 3.113 1 4 -11.6652157578723 2891752 C1C(OC2=CC=CC=C2O1)C(=O)OCCNC(=O)C3=CN=CC=C3.Cl Cl- 1 1.164 2 5 0 -11.5379915243352 2891748 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)NCC3=CC=NC=C3 1 2.867 3 2 -17.825869133263 2891740 COC1=C(C=C(C=C1)/C=C(/C(=O)NCCCN2CCOCC2)\NC(=O)C3=CC=C(C=C3)Cl)OC 1 2.515 3 5 0 -23.0777643526613 2891737 CC(=O)N/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)NC2CCCCC2 1 2.083 3 4 0 -16.1931346728546 2891735 C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)O 1 3.239 3 4 0 -10.235191571794 2891734 C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 3.264 2 3 -11.3079194734936 2891717 CC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=CO2)C(=O)OCC=C 1 2.29 1 5 -24.7328198603918 2891686 CC(C)COP(=O)(C(C1=CN=CC=C1)O)OCC(C)C 1 1.972 1 4 0 -7.95208088406038 2891678 CCOP(=O)(C(C1=CC2=C(C=C1)OCO2)NC3=CC=CC=C3)OCC 1 3.201 1 5 -7.85538863427489 2891665 CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)NN)C3=CC=CC=C3 1 2.493 2 5 0 -3.95532488746652 2891613 C1COCCN1CCCNC(=O)/C(=C/C2=CC=CS2)/NC(=O)C3=CC=CC=C3 1 1.837 3 3 0 -21.7776335743734 2891612 C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)C5=CC=CC=C5 1 3.086 2 4 -13.2733915949839 2891603 COC1=CC=C(C=C1)/C=C(/C(=O)NCCCN2C=CN=C2)\NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.676 5 5 0 -19.4020012519986 2891597 CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(C)C(=O)OCC)Br)C 1 3.755 0 6 -17.689057551615 2891576 C1COCCN1CCNC(=O)/C(=C/C2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 2.026 3 3 -20.4886375481399 2891573 CC1=C(C(CC(=O)N1)C2=CC=CC=C2Cl)C(=O)OC(C)C 1 2.703 1 3 -20.7494971226037 2891549 COC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=CS3)O)C(=O)C4=CC=CS4 1 2.373 3 4 0 -21.0611076478593 2891546 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Cl)/C(=O)NCC3CCCO3 1 3.001 2 4 -21.1886071788446 2891537 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NCC3=CC=NC=C3 1 2.808 4 4 0 -19.8899822947185 2891529 C1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC(=C5)C(=O)O)C6=CC=CC=C6 1 4.285 1 4 -2.38625747615338 2891526 CC(C)OP(=O)(C(C1=CC2=C(C=C1)OCO2)O)OC(C)C 1 1.959 0 6 0 -4.50957224620191 2891523 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)F)/C(=O)NCCCN3CCOCC3 1 2.575 3 3 -19.8857774191461 2891495 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl 1 3.642 2 4 -1.0405731413975 2891446 C1CN=C2N(C1)C(=O)C(=CC3=CC=CO3)S2 1 1.684 2 2 0 -9.90366249441835 2891445 CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC2=CC=CC=C2 1 2.828 2 4 -10.2452150276979 2891425 CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2C=CN=C2 1 2.52 4 2 -12.2215828065731 2891423 C1CC(OC1)C(=O)NNC(=O)C2=CC=C(C=C2)Br 1 1.288 2 3 0 -14.3307728960819 2891422 CC(=O)N1CC23C=CC(O2)CC3CC14CCCCCC4 1 2.188 1 2 -0.82022747849082 2891375 CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C3=NC=C(C=C3)Br)O 1 2.319 3 5 0 -20.8415121105586 2891360 CCC(C(=O)NC1=NN=C(S1)C)SC2=NC3=CC=CC=C3O2 1 2.818 4 2 -13.4268915247869 2891357 CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C)C2=CC=CC=C2[N+](=O)[O-] 1 1.442 3 5 0 -20.7035470826464 2891346 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Cl)C3=CN=CC=C3)O 1 1.802 2 3 0 -15.6301530832319 2891337 C1CCN(C1)C(=O)C2COC3=CC=CC=C3O2 1 1.477 1 3 0 -7.17156322930343 2891326 CCC(C(=O)NC1=NN=C(S1)C)SC2=NC3=CC=CC=C3S2 1 3.376 4 1 -14.0232292097893 2891321 CC(C1=CC=CC=C1)NC(=O)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C 1 2.716 2 3 -15.3632843758254 2891290 CC1=CC=C(C=C1)CNC(=O)C(=O)NCC2CCCO2 1 1.156 2 3 0 -14.3693470330593 2891286 COC1=C(C=C(C=C1)CCNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F)OC 1 2.387 2 4 -15.7736285067175 2891284 CC(C1=CC=CC=C1)NC(=O)CN(C2=CC(=CC=C2)OC)S(=O)(=O)C 1 1.951 2 4 0 -16.0404409351117 2891278 CCC(C1=CC=CC=C1)C(=O)NCC2=CC=CC=C2OC 1 3.558 1 2 -12.0634670672559 2891236 CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NC(=O)C(=NN3)C 1 3.104 4 2 -18.532181118363 2891234 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=CC(=N3)C 1 2.578 3 2 -2.31207850520207 2891227 COCCNC(=O)C1=CC=C(C=C1)CN2CCC(CC2)CC3=CC=CC=C3 1 3.638 2 2 -4.20106339107747 2891225 CCOC1=CC=CC=C1NC(=O)C(=O)NCCC2=CCCCC2 1 2.964 2 3 -17.1386986307779 2891223 CC1CCCN(C1)C(=O)CCC2=CC=CC=C2 1 2.971 1 1 -8.40948501503786 2891209 CCNC(=O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-] 1 0.547 3 4 0 -11.0650226635605 2891204 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)F)CC3=CC=CC=C3)O 1 2.5 1 3 -15.253318055754 2891175 C1CN(CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4 1 5.345 2 1 1.31765649758038 2891149 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2F)CC3=CC=CC=C3)O 1 2.5 1 3 -18.3464353837059 2891087 CC1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.364 2 3 0 -9.80532472202482 2891105 CC1=C(CC(C(C1)C(=O)NCCC2=CC=CC=C2)C(=O)O)C 1 3.037 1 3 -8.06717542844834 2891138 CC(=O)C1=C(C(=O)N(C1C2=C(C=C(C=C2)OC)OC)CC3=CC=CC=C3)O 1 2.262 1 5 -17.2762205514712 2891081 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=C(S3)C=C(C=C4)OCC 1 4.358 2 4 -2.11417583542806 2891078 CC(C1=CC=CC=C1)NC(=O)CSCC2=CC=CC=C2Br 1 4.147 1 1 -12.8282796696108 2891070 CC(C)C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2C)O 1 4.053 2 1 -0.926783331202764 2891062 CCOC(=O)CN1C(C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.662 2 7 0 -20.9709455605095 2891038 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCOC)C2=CC=C(C=C2)OC 1 0.618 3 6 0 -24.238491894581 2891037 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 1.669 3 5 0 -16.0226203318408 2891022 CC(C)C1=CC=C(C=C1)C(C2=CN=C(N2C)C(C)C)O 1 3.699 2 1 -4.14697667507527 2891010 C1=CC=C(C=C1)CCNC(=O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.103 3 4 0 -12.4621495975989 2891009 COC1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)OC 1 3.021 3 7 0 -20.0543041505945 2890983 CC(C(=O)N1CCCC1)N(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 1.141 2 4 0 -8.83546180212524 2890971 CCC(C1=CC=CC=C1)C(=O)NC2CCCCCC2 1 4.306 1 1 -10.3203750831537 2890969 C1=CC(=CN=C1)CNC(=O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 0.631 4 4 0 -13.7723302489441 2890968 CCC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC(=CC(=N2)C)C 1 3.376 4 1 -9.71502459090797 2890960 CC1=C(OC2=CC=CC=C12)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.849 3 4 0 5.36736843007597 2890949 C1CCN(C1)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O 1 3.431 1 2 2.61447091367966 2890946 CCN1C=CN=C1C(C2=CC(=CC=C2)OC)O 1 1.563 2 2 0 -5.52181194117902 2890942 CCOC(=O)C1=C(N=C(S1)NC(=O)C(C2=CC=CC=C2)OC(=O)C)C 1 2.151 2 5 0 -16.96623320037 2890941 C1=CC=C(C=C1)C2C(=O)NC(=NC2=O)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.255 4 5 0 -24.4562356030528 2890938 CCCC(C)C(=O)NCC1=CC=CC=C1OC 1 2.982 1 2 -12.8297499222401 2890932 CCN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl 1 4.261 3 3 1.92126247387807 2890930 CC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC=N3)O)C(=O)C 1 2.163 2 3 -16.2429544123437 2890927 C1CN(CCN1CCNC(=O)C(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 1.232 4 4 0 -24.0690900093953 2890921 CCC(C(=O)NC1=NN=C(S1)C)SC2=CC=CC=N2 1 2.139 4 1 -16.1247031301986 2890904 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)OC)C3=NC=C(C=C3)Br)O 1 2.409 2 4 -16.9739676190487 2890889 C1CN(CCN1C2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-])C(=O)C4=CC(=C(C=C4Cl)F)F 1 4.029 4 3 0 -2.8541669569431 2890867 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Br)CC3=CC=CC=C3)O 1 3.043 1 3 -15.5998561357339 2890826 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.487 1 4 -12.3296544721149 2890784 C1OC2=C(O1)C=C(C=C2)C(C3=C(N=CNC3=O)O)C4=C(N=CNC4=O)O 1 0.344 4 6 0 -7.36583814012139 2890764 COCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2 1 0.458 1 5 0 -12.5636078038714 2890752 C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.271 3 5 0 -11.5635469202384 2890716 CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 4.51 1 1 -4.21017526637066 2890703 CC1(CC(C2=CC=CC=C2N1C(=O)CN3CCN(CC3)C)(C)C4=CC=C(C=C4)Cl)C 1 4.387 3 1 -5.62944560925198 2890675 COC(=O)C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.373 2 6 0 -19.3295439325327 2890670 CC(C1=CC=CC=C1)NC(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C 1 2.91 2 3 -12.6006873100387 2890665 CC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=C(C=C3)F)O)C(=O)C 1 2.98 1 3 -16.1252818270362 2890643 C1=CC=C(C(=C1)C(=O)ON=C(CC2=CC=C(C=C2)[N+](=O)[O-])N)Br 1 3.064 3 4 0 1.83653172523251 2890632 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)N(C)C)CC3=CC=CC=C3)O 1 2.457 2 3 -18.6264814598319 2890602 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C1=CC(=CC=C1CC(=NOC(=O)C2=CC=C(C=C2)Br)N)[N+](=O)[O-] 1 3.064 3 4 0 1.23819746311832 2890183 CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)OC)OC)C3=CN=CC=C3)O 1 1.105 2 5 0 -22.8180122987439 2890163 CC(C1=CC=CC=C1)NC(=O)COC2=CC=C(C=C2)C=NNS(=O)(=O)C3=CC=CC=C3 1 3.39 3 4 0 -12.1090090540941 2890156 CC(C(=O)NC1=CC=CC=C1)SCC2=CC=CC=C2 1 3.499 1 1 -8.97323000256594 2890146 COC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC 1 4.819 3 4 0 -10.198461420659 2890119 C1C(CN(C1=O)C2=CC=C(C=C2)Br)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.409 2 4 -13.1470863107105 2890104 COCCCNC(=O)CN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.826 2 5 0 -23.2808565132785 2890057 C1CN(CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C(=O)C4=CC=CC=C4F 1 3.159 4 3 0 -4.17690606025843 2890045 CC(C)(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-] 1 4.366 3 3 1.07106913954887 2890018 CCC(C1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C 1 4.061 1 1 -9.36783003003343 2889974 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl 1 2.658 3 2 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COC1=C(C=C(C=C1)CCNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3)OC 1 2.181 2 4 -16.7468087273249 2889688 COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F)[N+](=O)[O-])OC 1 4.653 4 5 0 -8.06092472823601 2889687 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4 1 3.56 3 3 -6.24607602078461 2889672 C1=CN(C=N1)CCCNC(=O)C(Cl)(Cl)Cl 1 0.856 3 1 0 -5.44774995597461 2889665 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2OC)CCC3=CC=CC=C3)O 1 2.6 1 4 -16.5028024385928 2889570 CCCC1=NC=C(N1C)C(C2=CC(=CC=C2)OC)O 1 2.483 2 2 -3.58946952070727 2889554 CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2 1 4.054 1 1 -6.81546300144693 2889550 CC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C 1 0.329 3 2 0 -4.75690757437127 2889544 COC1=CC=CC(=C1)NC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 3.038 3 6 0 -15.6392808873947 2889530 CCCCN1C(C(=C(C1=O)O)C(=O)C)C2=CC=CC=C2 1 2.04 1 3 -18.2497494754055 2889521 CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)NC(=O)NC3=O 1 0.881 4 3 0 -8.66120647261077 2889510 CCC(C1=CC=CC=C1)C(=O)N2CCC(CC2)C(=O)OCC 1 2.873 1 3 -11.9651990968128 2889492 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=N4 1 2.52 4 2 5.90166060102922 2889488 C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCCNC(=O)C2=CC(=C(C=C2Cl)F)F 1 4.469 3 3 -5.03185926230661 2889487 CCC(C)C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-] 1 2.414 2 4 -9.95060335122082 2889484 CC(C(=O)NCCOC)OC1=CC=CC=C1 1 1.226 1 3 0 -12.4381873276365 2889481 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3)O 1 1.032 3 5 0 -19.5465495611759 2889456 C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 2.6 3 5 0 -16.3387424539241 2889447 CC1=CC(=CC=C1)NC(=O)C(C)SCC2=CC=CC=C2 1 3.985 1 1 -6.73329307534 2889439 CC1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.669 2 5 0 -18.9315566398587 2889436 CCNC(=S)NC1=CC2=C(C=C1)C3=CC=CC=C3O2 1 4.364 2 1 -8.63719478648328 2889434 CC(C(=O)NC1CCCC1)SCC2=CC=CC=C2 1 3.324 1 1 -10.0902092650838 2889428 C1=CC(=CC(=C1)Br)C(=O)ON=C(CC2=CC=C(C=C2)[N+](=O)[O-])N 1 3.064 3 4 0 0.526103961806959 2889360 CCOC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 3.386 3 6 0 -16.6648152072657 2889346 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)F)C3=NC=C(C=C3)Br)O 1 2.63 2 3 -15.8491243844393 2889331 CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=CC=C2)O 1 3.789 2 3 -11.5728112718548 2889326 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=CC=CC=C4F 1 2.823 4 4 0 -5.02065405379896 2889320 CC(=O)C1=C(C(=O)N(C1C2=C(C=CC(=C2)OC)OC)C3=CC=C(C=C3)F)O 1 2.461 1 5 -16.0284616015007 2889316 COC1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F 1 2.075 2 3 -6.74687377759735 2889264 CC1=CC(=CC(=C1)NC(=O)C(=O)NCC2CCCO2)C 1 1.635 2 3 0 -15.2019532905539 2889263 COC1=C(C=C(C=C1)CCNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Br)OC 1 2.93 2 4 -16.1201665866973 2889243 CC(C)CNS(=O)(=O)C1=CC2=C(C=C1)OCCO2 1 1.718 1 4 0 -10.8876741032949 2889229 CCC1=CC=CC=C1N(CC(=O)NC(C)C2=CC=CC=C2)S(=O)(=O)C 1 2.91 2 3 -18.7128664574295 2889223 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)O)O 1 2.71 1 4 -14.0610389852336 2889202 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2F)CC=C)O 1 1.534 1 3 0 -21.4052286669203 2889195 COC1=CC=C(C=C1)C2C=C(C(=O)N2C3=CC=C(C=C3)OC)NC4=CC=C(C=C4)OC 1 4.176 2 4 -4.73914287776044 2889128 CCCC(C)C(=O)NC1=CC=CC=C1C(=O)OCC 1 3.196 1 3 -15.8828638563103 2889110 C1CN(CCN1CCO)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O 1 2.388 2 3 6.05127241035021 2889061 CC1CCCCN1C(=O)CC2=CC=C(C=C2)Cl 1 3.237 1 1 -6.19728153104043 2889044 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3CCCO3 1 1.325 2 3 0 -9.77041319624186 2889033 CC1=CC=CC=C1CSCC(=O)NC2=CC=CC=C2Br 1 4.249 1 1 -12.2694586532662 2889028 CC(C)CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-] 1 2.203 2 4 -10.2028446354331 2888994 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3)O 1 2.189 2 5 0 -18.0595928685765 2888991 CC(=O)C1=C(C(=O)N(C1C2=C(C=C(C=C2)OC)OC)C3=NC=CS3)O 1 1.252 2 5 0 -16.9213833474588 2888981 CC1=CC=C(C=C1)NC(=O)C(C)SCC2=CC=CC=C2 1 3.985 1 1 -8.52354440214435 2888976 CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC=C(O4)C5=CC=C(C=C5)C(=O)O)C(=O)OC 1 3.449 1 6 0 -21.8393698511377 2888973 CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NN=C(S3)N)(C)C4=CC=CC=C4)C 1 4.086 4 1 -18.7621254961664 2888969 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2[N+](=O)[O-])CCC(=O)O)O 1 0.335 2 7 0 -24.3655962447952 2888964 CC(C1=CC=CC=C1)NC(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C 1 2.173 2 3 -18.405157638847 2888937 CCCNC(=O)C(=O)NCCC1=CCCCC1 1 1.927 2 2 0 -13.5068903073959 2888921 CCOC1=CC=CC=C1N(CC(=O)NN=C(C)C2=CC(=CC=C2)Br)S(=O)(=O)C 1 2.713 3 4 0 -16.5852343656574 2888917 CCOC1=CC=CC=C1NC(=O)C(C)SCC2=CC=CC=C2 1 3.831 1 2 -12.2281269714209 2888910 CC(C)CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl 1 2.884 2 3 -8.57556777216347 2888897 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2F)C3=CC=C(C=C3)O)O 1 2.252 1 4 -16.4720032258942 2888895 CCCCN1C(C(=C(C1=O)O)C(=O)C)C2=CC=CC=C2[N+](=O)[O-] 1 1.934 2 5 0 -20.3662809955194 2888892 CC1=C(C(N2C(=O)C(=CC3=CC=CS3)SC2=N1)C4=CC=C(C=C4)OC)C(=O)OC(C)C 1 4.767 2 4 -30.725523551755 2888884 CCC(C1=CC=CC=C1)C(=O)NC2=NC=CS2 1 2.565 2 1 -7.64679171906407 2888879 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N=C(S2)N 1 1.324 3 4 0 -10.5823038976627 2888820 CC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.141 2 3 -6.39159781434612 2888807 C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3 1 2.653 3 3 -1.73909249864556 2888802 C1CC2=C(C3=CC=CC=C3N=C2C1)N4CCOCC4.Cl Cl- 1 2.93 2 1 0.123312290776119 2888798 CCN(CC)CCN1C(NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)Br 1 4.239 3 1 -7.84669958387038 2888785 CC(=O)OC1=CC=CC(=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4 1 1.911 1 4 0 -1.67023223453578 2888783 CC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C(=O)C4C5C=CC(C4C3=O)C6C5C6)[N+](=O)[O-] 1 3.473 3 5 0 -3.24085267019224 2888782 CCOC1=CC(=C(C=C1)N2C(=O)C3CC(=C(CC3C2=O)C)C)[N+](=O)[O-] 1 3.13 2 5 0 -1.73201244026249 2888779 C1=CC=C(C=C1)CN2C(NC3=CC=CC=C3C2=O)C4=C(C=C(C=C4)Cl)Cl 1 5.566 2 1 -4.14803216472611 2888770 CCOC(=O)CC1=NN=C(C2=CC=CC=C21)NC3=C(C=CC(=C3)C)C 1 4.212 3 2 -10.0981169486041 2888769 CCOC(=O)CC1=NN=C(C2=CC=CC=C21)NCC3=CC=CC=C3 1 3.246 3 2 -11.7030034846013 2888746 CCC1=CC(=O)OC2=C1C=CC(=C2)OC3CCCCC3=O 1 3.671 0 4 -8.01349438721064 2888723 CCSC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O 1 3.379 3 5 0 -16.0628770959268 2888712 CS(=O)(=O)NCCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] 1 1.52 3 4 0 -4.57473525036662 2888708 CC(C(=O)C)OC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2 1 3.383 0 4 -13.73115382272 2888705 CC(C(=O)N1CCOCC1)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 1.208 2 4 0 -13.5213840315089 2888697 CS(=O)(=O)NCCCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] 1 2.1 3 4 0 -5.26973602412913 2888678 COC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4O 1 3.972 2 3 -5.58458548958177 2888660 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)CSC5=CC=CC=N5 1 5.735 3 2 -14.3123692014493 2888648 CS(=O)(=O)N(CC1=CC=CO1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O 1 2.972 2 4 -1.65244633014077 2888647 CN1C2=C(N=C1NCCOC3=CC=C(C=C3)F)N(C(=O)N(C2=O)C)C 1 1.615 5 3 0 -9.90944522632187 2888634 C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CO3 1 3.011 3 3 -8.91354775538706 2888615 CCCN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.477 2 4 -10.8109358147668 2888589 COC1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)NCCO 1 3.171 4 3 0 -11.4476401263214 2888583 CC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=CC=C3Cl 1 1.728 3 1 0 -1.43480913627574 2888563 CN(C)CCCOC(=O)N1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl Cl- 1 3.733 2 2 3.41312558245657 2888561 CC(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-] 1 4.933 3 2 0.719949323970054 2888549 CC1=CC=C(C=C1)S(=O)(=O)NC2CCCC(C2)C(=O)O 1 2.27 1 4 -8.15389208139722 2888547 COC1=CC=C(C=C1)N2CCSC2C(=O)NN 1 1.188 3 2 0 -6.94019744497359 2888544 COC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)CSC5=CC=CC=N5 1 5.712 3 3 -15.6365787977058 2888532 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)COC5=CC=C(C=C5)F 1 5.175 2 4 -7.89578834444564 2888529 CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1)OCC(=O)C 1 3.43 0 4 -4.63417379152015 2888515 C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)NC(=O)C4=CC=CC=C4C(=O)O 1 3.47 3 3 -6.39339171393783 2888505 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CO3 1 3.946 3 3 -11.4387886713158 2888495 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)COC5=CC=CC=N5 1 5.177 3 3 -8.99626962673418 2888452 CC(C)(C)C1CCC2=C(C1)SC3=NC(=NC(=C23)N)SCC(=O)N 1 3.37 4 1 -15.2945254273623 2888447 COC1=C(C=C(C=C1)CC(=O)ON=C(C2=CC=C(C=C2)Br)N)OC 1 3.137 2 4 -2.10368182910229 2888442 CCCN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)Cl)Cl 1 4.855 2 1 -5.87114591656875 2888441 CC1C(=[N+](C2(N1O)CCCCC2)[O-])C3=CC=CC=C3 1 2.105 2 2 3.45666757383736 2888438 CCOC1=C(C2=C(C=C1)C3=C(CCCC3)C(=O)O2)OCC 1 3.998 0 4 -8.85632276396529 2888434 COC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C(=O)C4C5C=CC(C4C3=O)C6C5C6)[N+](=O)[O-] 1 2.97 3 6 0 -3.72352953590206 2888427 CC(C(=O)C1=CC=CC=C1)OC2=CC3=C(C=C2)C=CC(=O)O3 1 3.623 0 4 -8.73276214624614 2888420 CS(=O)(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)[N+](=O)[O-] 1 1.558 3 4 0 -13.1572509700062 2888416 C1CN(CCN1C2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-])C(=O)C4=CC=CC=C4F 1 3.159 4 3 0 -4.57703077845324 2888412 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=C(O5)C6=CC(=CC=C6)[N+](=O)[O-] 1 2.987 3 5 0 -4.05899534759425 2888409 CC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)C2=CC=C(C=C2)O)C3=CC=C(C=C3)OC 1 4.7 0 5 -1.31850932354273 2888389 CC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)CN5C=C(C=N5)[N+](=O)[O-] 1 4.828 5 4 0 -16.5919018078859 2888388 C1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)O 1 3.989 2 2 -6.92160031678014 2888385 C1=CC2=C(C(=O)N=C2C=C1)NN=C3N(C(=O)C(S3)CC(=O)O)C4=CC=C(C=C4)O 1 1.789 4 5 0 -11.8544239180277 2888377 CC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)CN5C6=CC=CC=C6N=N5 1 6.095 5 2 0 -15.7997860605699 2888373 CC1CCC2=C(C1)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54 1 4.478 3 3 -23.6646387705563 2888357 C1=CC(=CC=C1C(=O)NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl 1 4.058 3 3 -4.3052418917222 2888347 CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3CCCO3 1 2.611 2 2 -14.7364604671746 2888346 C1CS(=O)(=O)CC1NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 0.907 2 5 0 -16.4285360216914 2888337 C1=CC=C(C=C1)CN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4 1 4.237 2 1 -7.22063529783188 2888319 CC(CC1C(=C(OC2=C1C(=O)CCC2)N)C#N)C3=CC=CC=C3 1 3.016 2 2 -16.5817930766392 2888296 CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC(=O)OC(C)(C)C 1 3.985 0 5 -14.8108380606103 2888291 CC1=CC2=C(C=C1)N(C(=O)C2(C3COC(CC3=O)(C)C)O)C 1 0.949 1 4 0 -1.00884821995604 2888275 COC1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 5.619 2 3 -3.7098421093287 2888267 CC1=C[N+](=CC=C1)CC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O.[Br-] Br- 1 3.18 1 4 -5.1182137350009 2888250 C1CN(CCN1CC(=O)NC2=NC=CS2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.477 5 3 0 -5.07744617064381 2888227 CC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4O 1 4.475 2 2 -5.17161928043763 2888220 CC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=O)S2 1 1.551 2 3 0 -10.6142946747601 2888214 CCCN1C(NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)C 1 4.013 2 1 -6.96112660502792 2888207 C1=CC=C2C=C(C=CC2=C1)OCC(=O)ON=C(CC3=CC=C(C=C3)[N+](=O)[O-])N 1 3.059 3 5 0 3.24889835098621 2888191 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)COC5=CC=CC=N5 1 5.17 3 3 -10.5060020549107 2888179 CC1=CC=C(C=C1)N(CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)S(=O)(=O)C 1 4.27 2 3 -1.41025793074698 2888176 CN1C2=C(N=C1NCCOC3=CC=CC=C3OC)N(C(=O)N(C2=O)C)C 1 1.393 5 4 0 -14.243366521222 2888171 CC(=C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC(=CC=C4)OC(=O)C)C 1 2.359 1 4 -2.71540322330756 2888135 CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)OC(C)C 1 3.78 0 5 -12.3619526244961 2888127 CCCCC(=O)NC1=CC=CC(=C1)C2=CN3C=CC=CC3=N2 1 3.217 3 1 -5.83752037413704 2888126 C1=CC(=CC=C1C=NN=C2N(C(=O)C(S2)CC(=O)O)C3=CC=C(C=C3)O)[N+](=O)[O-] 1 3.251 4 6 0 -11.3673421784979 2888110 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCC(=O)O 1 2.427 2 4 -15.6615546355171 2888107 CC1CCN(CC1)CCCCOC2=CC=CC=C2Br 1 4.512 1 1 0.862654945549463 2888106 COC1=CC(=C(C=C1NC(=O)C(=O)NNC(=O)C2CCCCC2)OC)Cl 1 2.231 3 5 0 -12.9029157729581 2888102 CCN(CC)CCN1C(NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)C 1 3.977 3 1 -8.21203852935576 2888098 CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)C 1 2.741 2 7 0 -5.394810302724 2888092 CC1CCN(CC1)CCCCOC2=C(C=C(C=C2)CC=C)OC 1 4.755 1 2 -6.68556161497904 2888082 CCN(CC)CCN1C(NC2=CC=CC=C2C1=O)C3=CC(=CC=C3)F 1 3.696 3 1 -7.35303798389473 2888081 C1=CC=C(C=C1)CN2C(NC3=CC=CC=C3C2=O)C4=C(C=CC=C4Cl)Cl 1 5.566 2 1 -8.39273514225017 2888080 C1=CC=C(C=C1)C=NN=C2N(C(=O)C(S2)CC(=O)O)C3=CC=C(C=C3)O 1 3.356 3 4 0 -9.44488820822504 2888067 CCC1=CC=C(C=C1)C(CNCC2=CC=CC=C2)(C3=CC=CC=C3)O 1 4.822 1 1 -0.404550459264089 2888057 CCCC1=CC(=O)OC2=C1C=CC(=C2)OC3CCCCC3=O 1 4.127 0 4 -7.73459242909126 2888021 COC1=CC(=CC=C1)OCC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)OC 1 4.954 2 5 0 -9.74973953670314 2887995 CC(C)C(C(=O)NC(C)(C)C)N1C(=O)C2=CC=CC=C2C1=O 1 2.18 2 3 -15.1130643520498 2887981 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)COC5=CC=C(C=C5)[N+](=O)[O-] 1 4.864 3 6 0 -10.7020631572681 2887968 C1=CC=C(C=C1)C2=C(C(NC(=O)N2)C3=CC=NC=C3)C4=NC5=CC=CC=C5C=C4 1 3.426 4 1 -11.9022688981272 2887959 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)CN5CCOCC5 1 3.976 3 3 -11.1180476512681 2887949 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)OC)[N+](=O)[O-] 1 3.237 3 4 0 -3.27837713020177 2887947 C1CN(CCN1C2=CC=CC=N2)C(=O)CCC3=CC=CC=C3 1 2.752 3 1 -4.63619882059948 2887937 CCCN1C(NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)Cl 1 4.191 2 1 -5.1391279144411 2887932 CCCN1C(NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)Br 1 4.275 2 1 -6.59578765954254 2887913 C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCC(=O)O)C3=CC=CS3 1 3.192 2 3 -14.8832494808875 2887896 CCOC(=O)CC1=NN=C(C2=CC=CC=C21)NC3=CC=CC(=C3)C 1 3.726 3 2 -7.33179507964525 2887886 CCC(=NN=C(CC)C1=CC=CC=C1N)C2=CC=CC=C2N 1 3.296 4 0 -0.119971501786547 2887882 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=C(C=C3)O)CC4=CC=CO4 1 3.177 2 3 -4.79929755847644 2887865 CC1CN(CCN1S(=O)(=O)C)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 1.936 3 4 0 -6.32207399322161 2887844 CC(C1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)F 1 4.678 2 0 -7.18506616934943 2887841 CC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)CN5C(=C(C(=N5)C)[N+](=O)[O-])C 1 5.256 5 4 0 -12.4672179432956 2887831 COC1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4 1 4.221 2 2 -6.88821636066754 2887818 CC(=O)OC1=CC=CC(=C1)N2C(=O)C3C4C=CC(C3C2=O)C45CC5 1 1.541 1 4 0 -4.12803008663357 2887815 C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F)[N+](=O)[O-] 1 4.052 4 3 0 -1.82247854877644 2887798 CCC1(N(C(=C([N+]1=O)C2=CC=CC=C2)C)[O-])C 1 1.257 2 2 0 -0.985138890916824 2887770 CN(C)C1=CC=C(C=C1)C=NN=C2N(C(=O)C(S2)CC(=O)O)C3=CC=C(C=C3)O 1 3.518 4 4 0 -11.9342307697533 2887760 CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 1.558 3 4 0 -9.52210017511861 2887746 C1COCCN1C(=O)CC2C(=O)NC(=O)S2 1 -0.618 2 4 0 -15.9633979247421 2887737 C1CCN(C1)C(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCCC5 1 2.191 2 2 -1.48152172220472 2887735 CCCN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)O)OCC 1 3.617 2 3 -6.1682335962609 2887714 COC1=CC=C(C=C1)C=NN=C2N(C(=O)C(S2)CC(=O)O)C3=CC=C(C=C3)O 1 3.34 3 5 0 -9.68591060028482 2887703 CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OC(C)C(=O)O 1 4.27 0 5 -6.21111406266201 2887665 C1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)O 1 3.989 2 2 -6.10510846856073 2887657 CC1C(=[N+](C2(N1O)CCCC2)[O-])C3=CC=CC=C3 1 1.649 2 2 0 3.81113608800544 2887645 C1=CC(=CC=C1NC(=O)CC2C(=O)NC(=O)S2)Cl 1 1.729 2 3 0 -8.7922959841733 2887620 CC1=CC=C(O1)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.119 2 4 -9.002552556858 2887619 CN1CCN(CC1)CCOCCOC2=C(C=CC=C2OC)OC 1 1.745 2 4 0 0.383720517426922 2887605 C1CC(OC1)CNC(=O)COC2=CC3=CC=CC=C3C=C2 1 2.14 1 3 -10.3464032072814 2887603 C1=CC=[N+](C=C1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.271 2 1 4.41696382764962 2887593 CC1CN(CCN1S(=O)(=O)C)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 1.936 3 4 0 -6.32685560739061 2887556 C1COCCN1CCCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O 1 3.295 6 4 0 -20.4426698557291 2887552 CC1=C(C(=O)OC2=C1C=CC(=C2)OC3CCCCC3=O)C 1 3.661 0 4 -7.25604656071399 2887523 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=C(O5)C6=CC=C(C=C6)[N+](=O)[O-] 1 2.987 3 5 0 -3.81255616160532 2887519 COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)CN5C6=CC=CC=C6N=N5 1 5.615 5 2 0 -14.7197698245481 2887476 C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N 1 2.429 4 3 0 1.33786949662292 2887468 COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3C4CCC(C4)C3C(=O)O 1 3.418 1 5 -16.6161647792053 2887451 CC(=C1C2CCC1C(C2C(=O)NCC3=CC=CC=C3)C(=O)O)C 1 2.848 1 3 -11.0240554980682 2887448 C1COCCN1C2=C(N=C(O2)C3=CC=C(C=C3)Cl)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5 1 5.977 2 3 0.104110950081184 2887441 CC1=CC(=CC(=C1)NC(=O)C2C3CCC(C2C(=O)O)C3=C(C)C)C 1 3.814 1 3 -6.18596238148897 2887439 C1C=CCC(C1C(=O)NC2=CC=C(C=C2)CC(=O)O)C(=O)O 1 1.481 1 5 0 -7.64227878195942 2887427 C1CC2CC1C(C2C(=O)O)C(=O)NC3=NC4=CC=CC=C4S3 1 2.562 2 3 -2.09282369749544 2887414 CC1=CC(=C(C(=C1)C)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2)C 1 6.624 3 1 -18.7317386059723 2887413 C1CC2C(C(C1O2)C(=O)NC3=CC(=CC=C3)F)C(=O)O 1 1.029 1 4 0 -1.46395241705641 2887398 COC1=C(C=C(C=C1)NC(=O)C2C3CCC(C3)C2C(=O)O)OC 1 1.904 1 5 0 -9.28573234938459 2887396 C1CC2C(C(C1O2)C(=O)NC3=CC=C(C=C3)Cl)C(=O)O 1 1.488 1 4 0 -1.43295939210004 2887381 COC1=CC(=C(C=C1)OC)NC(=O)C2C3CCC(C2C(=O)O)O3 1 0.791 1 6 0 -5.27834366476571 2887372 CC(=NNC(=O)C1(CC1(Br)Br)C)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.729 3 3 -8.18715580815689 2887361 CC(=O)C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2 1 4.301 3 3 -20.5388331379787 2887358 CCOC1=C(C=CC(=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)OC)OCCN3CCOCC3 1 2.512 3 6 0 -6.41173932078592 2887357 CCCC1CCC2=C(C1)SC(=C2C(=O)N)N 1 2.419 2 1 -4.15069507851421 2887352 C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=CC=N2 1 3.681 3 1 -14.9455048631056 2887344 C1=CC=C(C=C1)COC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC(=C2)C(=O)O 1 5.358 3 4 0 -15.5563472911269 2887342 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3CC=CCC3C(=O)O 1 3.531 1 5 -5.36213283556436 2887332 CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4CCCO4 1 4.386 2 3 -12.7194887576643 2887326 CC1(CC1(Br)Br)C(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.622 2 3 -7.28933346652827 2887317 C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)CC(=O)O)C(=O)O 1 1.926 1 5 0 -7.33371542175779 2887306 C1CC2C(C(C1O2)C(=O)NC3=CC=C(C=C3)F)C(=O)O 1 1.029 1 4 0 -2.54308105722161 2887300 CCSC1=NN=C(S1)NC(=O)C2C3CCC(C3)C2C(=O)O 1 1.843 3 3 0 -15.0582523428599 2887281 CC1=NC(=C(O1)N2CCOCC2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 3.649 2 3 -8.98390115588519 2887268 CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3C4CCC(C3C(=O)O)O4 1 2.906 1 6 0 -15.6268748733501 2887258 CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C3CC=CCC3C(=O)O 1 4.189 1 5 -7.93211510357319 2887254 CCOC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)OCC 1 4.826 3 3 -15.5663162158175 2887253 CC(=C1C2CCC1C(C2C(=O)NCCC3=CC=CC=C3)C(=O)O)C 1 3.169 1 3 -11.281308773767 2887247 CCC1=CC=CC(=C1NC(=O)C2C3CCC(C2C(=O)O)O3)C 1 2.252 1 4 -6.46891197877561 2887241 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3CC=CCC3C(=O)O 1 3.812 1 5 -6.07400986102961 2887236 COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CC=CCC3C(=O)O 1 2.977 1 5 -7.00989691572908 2887224 CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1CCCCCC1 1 3.556 3 1 -17.5544766692089 2887214 CC1=CC=C(C=C1)C=NNC(=O)C2(CC2(Br)Br)C 1 3.34 2 1 -5.61106808942333 2887208 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=CC=C2Cl)Cl 1 6.389 4 3 0 -20.3050054024581 2887176 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)OC 1 2.017 2 3 -11.8503941691391 2887173 C1C(CC(=O)C(=CNC2=CC(=CC=C2)Cl)C1=O)C3=CC(=CC=C3)Cl 1 4.178 1 2 -8.55077017670094 2887171 C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)NCCCN2C=CN=C2 1 1.401 4 3 0 -5.24972767950277 2887160 CC1=CC=C(C=C1)C2CC(=CC(=O)C2)NCC(C)C 1 3.353 1 1 -10.2278416360754 2887125 CCC1=CC=CC(=C1NC(=O)C2CC=CCC2C(=O)O)C 1 3.245 1 3 -7.22393528313315 2887117 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O 1 1.329 4 5 0 -12.892042870527 2887106 C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCC(=O)O 1 2.3 2 3 -24.1538074827919 2887097 C1C(CC(=O)C=C1NCC2=CC=C(C=C2)Cl)C3=CC=CO3 1 3.107 1 2 -10.213717185626 2887095 CCC1=CC=C(C=C1)NC(=O)C2CC(=O)N=C(S2)N 1 2.062 3 2 -6.39933512488467 2887084 CCC1=CC=C(C=C1)NC2=CC(=O)CC(C2)C3=CC=CO3 1 3.656 1 2 -11.7252482119445 2887081 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)C2=CC=CC3=C2C=CC=C3Br 1 2.976 2 3 -9.2081347100444 2887075 CC(C)C1=CC=CC=C1NC(=O)C2C3CC(C2C(=O)O)C=C3 1 2.686 1 3 -3.16736881145361 2887072 CC(C1=CC=CC=C1)NC(=O)CC2=CC=C(C=C2)Br 1 3.782 1 1 -8.99407738856038 2887062 CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 3.354 1 3 -12.8804643483009 2887049 C1=CC=NC(=C1)CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.283 3 4 0 -7.95411208241155 2887048 CN(C)C1=CC=C(C=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.654 2 3 0 -5.5917260640472 2887015 CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=C(C=C2)NC(=O)C(F)(F)F 1 3.061 3 3 -8.651583764437 2887002 CC1=CC=C(C=C1)C2CC(=O)C(=CNCCN3CCN(CC3)C(=S)NC4=CC=CC=C4)C(=O)C2 1 4.305 4 2 -20.0970809405993 2886997 C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-] 1 4.046 3 3 -9.19315350240866 2886983 CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-] 1 4.307 2 4 -7.92080314487301 2886974 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C(=O)OC)C 1 5.258 2 4 -23.2866000831249 2886965 CC1=CC=C(C=C1)C2CC(=O)C(=CNCCN3CCN(CC3)CC(=O)NC4=CC(=CC(=C4)C)C)C(=O)C2 1 3.186 4 3 0 -15.7758600154962 2886961 CC1=C(CC(C(C1)C(=O)NC2=C(C=CC(=C2)OC)OC)C(=O)O)C 1 2.676 1 5 -5.07767063671501 2886953 COC1=CC(=CC(=C1OC)OC)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=COC=C4 1 2.709 4 5 0 -12.7404922006365 2886949 CCC(C)C1=CC=C(C=C1)NC(=O)C2CC2 1 3.358 1 1 -2.95837826932614 2886933 CC12CC3CC(C1)(CC(C3)(C2)CN4CCOCC4)C.Cl Cl- 1 2.894 1 1 0.236616081800055 2886911 CCCC(C)NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 4.262 1 1 -8.40816957807133 2886902 CCN(CC)CC#CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl Cl- 1 4.672 1 1 -8.19956262252484 2886895 CCCC(C)NC(=O)CC1=CC=CC=C1[N+](=O)[O-] 1 2.673 2 3 -16.5755137087193 2886887 COC1=C(C=C(C=C1)C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])OC 1 4.277 3 5 0 -12.7081763768217 2886866 COC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 4.71 1 2 -10.641485014812 2886864 CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CN=CC=C3 1 2.344 3 2 -13.9098259355618 2886843 CCCC(C)NC(=O)CC1=CC=CC=C1 1 2.779 1 1 -12.6418391008121 2886840 CC(C=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3 1 2.841 2 3 -8.84512578886427 2886839 C1C(CC(=O)C2=CN=C(N=C21)NC(=O)C3=CC=CC=C3)C4=CC=CO4 1 2.353 3 3 -20.346927711469 2886838 C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC=CO3)SC4=C2CCC4 1 3.391 3 3 -39.0250307415642 2886820 COC1=C(C=C(C=C1)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])OC 1 2.356 3 5 0 -14.8046921929885 2886813 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C4C5CC(C4C3=O)C=C5 1 0.597 4 6 0 -21.4471151511981 2886808 CC1=CC=C(C=C1)C2CC(=CC(=O)C2)O 1 2.388 0 2 -2.97524776403577 2886801 C1=CC(=CN=C1)C(=O)NCCNC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 1.903 4 3 0 -9.10042725812111 2886782 C1C(CC(=O)C=C1NC2=CC(=CC=C2)Cl)C3=CC=CO3 1 3.378 1 2 -8.44159379445217 2886781 C1CC2=C(C(NC3=C2C4=C(C=C3)N=CC=C4)C5=CC(=C(C=C5)O)O)C(=O)C1 1 3.606 2 3 -9.21700911691461 2886776 CC1=CC=C(C=C1)CC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)OC 1 4.324 1 3 -3.99148985768875 2886767 C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 2.499 2 4 -16.3645110222235 2886764 C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CC=C(C=C3)Br 1 3.299 2 3 -10.6088561900745 2886721 C1=CC=C(C(=C1)C(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N)Br 1 3.029 3 4 0 1.91879595788332 2886696 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CCC(=O)O 1 2.475 3 6 0 -14.0847244675749 2886682 CC1=CC(=C(C=C1)C)NC(=O)C2CC3CCC2C3 1 3.724 1 1 -0.471211800185812 2886681 CCOC(=O)C1=C(NC2=C(C1C3=CC=C(O3)[N+](=O)[O-])C(=O)C4=CC=CC=C42)C 1 2.377 2 6 0 -25.2101594329133 2886664 CCN(CC)C(=O)CSC1=C(C(=NS1)SCC(=O)N(CC)CC)C#N 1 2.394 4 2 -18.5912001274227 2886661 COC1=CC=CC=C1C(=O)NCCCNC2=CC=C(C=C2)[N+](=O)[O-] 1 2.435 3 4 0 -12.3331261873751 2886642 C1CCC2C(C1)C(=O)N(C2=O)C(CC3=CC=CC=C3)C(=O)O 1 2.401 1 4 -8.42775320094784 2886635 CCN(CC)CC#CC(C1=CC=CC=C1)(C2=CC=CC=C2)OC.Cl Cl- 1 4.529 1 1 -1.66968125911233 2886623 CCN(CC)C1=CC=C(C=C1)C=C(C2=NN=NN2C3=CC=CC=C3)C4=NN=NN4C5=CC=CC=C5 1 4.741 9 0 0 -11.6307787753164 2886617 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2C(=O)NC3=C(N2)C=C(C(=C3)C)C 1 3.059 3 4 0 -22.8567318346033 2886612 CC1=CSC(=C1)C2C(=C(NC(=O)N2)C)C(=O)NC3=CC=CC=C3OC 1 2.31 3 3 -30.3669538103481 2886593 CCC(CC)C(=O)N1C(CCC2=C1C=CC(=C2)F)C 1 4.312 1 1 -7.37320606184682 2886575 CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC=CS2 1 3.077 2 3 -15.694331030319 2886570 C1C=CCC(C1C(=O)NC2=CC(=C(C=C2)F)F)C(=O)O 1 2.227 1 3 -3.17414219816645 2886565 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC=C(C=C2)[N+](=O)[O-] 1 1.848 3 6 0 -11.5808321773189 2886557 CC1=CC=C(C=C1)NC2=CC(=O)CC(C2)C3=CC=C(C=C3)Cl 1 4.68 1 1 -5.46969795868015 2886556 CCOC1=CC=C(C=C1)NC2=CC(=O)CC(C2)C3=CC=CO3 1 3.046 1 3 -12.6649994370176 2886504 COC1=C(C=C(C=C1)Cl)NC(=O)C2CCCO2 1 1.931 1 3 0 -11.3336907969271 2886497 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F 1 3.762 2 4 -16.1634266140168 2886484 CCOP(=O)(C(C(=O)N)NC(=O)NC1=CC=C(C=C1)Cl)OCC 1 0.894 3 5 0 -7.98917855042397 2886479 C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])SC3=CC=CC=C3 1 5.285 2 3 -9.61871482654178 2886474 COC1=CC=CC=C1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC 1 2.511 2 5 0 -12.5899954241504 2886449 CCCC(C)NC(=O)C1=CC=C(C=C1)F 1 2.949 1 1 -10.8591889546038 2886444 CC1=CSC(=C1)C2C(=C(NC(=O)N2)C)C(=O)N3CCOCC3 1 0.644 3 3 0 -26.814944669401 2886434 CC1=CC=C(C=C1)C2CC(=CC(=O)C2)NC3=CC=C(C=C3)Cl 1 4.68 1 1 -5.46969795868015 2886431 CC(=O)NC1=NC=C2C(=N1)CC(CC2=O)C3=CC=CO3 1 0.689 3 3 0 -18.0993004280684 2886417 CC1=C(C(NC(=O)N1)C2=CC=CS2)C(=O)N3CCOCC3 1 0.158 3 3 0 -29.082797080068 2886401 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(C=CC=C4Cl)Cl 1 4.509 1 1 -5.66848712705029 2886398 C1CC2CC1CC2C(=O)NC3=NCCS3 1 2.24 2 1 -7.45735607116143 2886397 CC(=O)NC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.332 3 5 0 -11.0371338371384 2886392 COCCNCC(=O)NCC12CC3CC(C1)CC(C3)C2.Cl Cl- 1 1.187 2 2 0 -8.57943790543103 2886387 CCOC(=O)C1CN2C(=O)C3=C(C4=CC=CC=C4CC3(C)C)N=C2S1 1 3.437 2 3 -12.6700855005895 2886383 CC1=CC(=NC(=N1)N=C(N)N2CCCCC2)C 1 0.785 5 0 0 -3.67357049419433 2886375 C[N+]1=C(NC=C1)SCC(=O)C2=CC=CC=C2.[Br-] Br- 1 2.49 2 1 -2.81510722951001 2886368 C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)SC3=CC=CC=C3 1 5.285 2 3 -8.36539315408845 2886362 CC1CCC2=C(N1C(=O)C3=CC(=C(C=C3)OC)OC)C=CC(=C2)F 1 3.901 1 3 -10.6953670827322 2886357 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 2.54 2 4 -7.31840542754118 2886350 CCNC(=S)N1CCC2=CC=CC=C2C1 1 3.2 2 0 -12.6136035241749 2886349 C1COCCN1C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 3.044 1 2 -9.51402734398043 2886337 CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.897 3 3 -3.94906088987859 2886334 CN(C)C1=CC=C(C=C1)C=C(C2=NN=NN2C3=CC=CC=C3)C4=NN=NN4C5=CC=CC=C5 1 4.044 9 0 0 -9.33739291405776 2886316 CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2 1 3.568 1 1 -8.92827922989221 2886315 C1CCC(CC1)NC(=O)NCC2CCCO2 1 1.586 2 2 0 -14.2789407870614 2886310 CC1(C(CC(=O)O1)C(=O)NCC2=CC=CC=C2)C 1 1.34 1 3 0 -9.2420153958307 2886305 COC1=CC(=CC(=C1OC)OC)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=C4C=CC=N5 1 4.041 2 4 -16.3562461959492 2886300 CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4CC4)C5=CC=CO5)C(=O)C1)C 1 3.402 2 3 -31.4815527127346 2886294 CC1=C(C=CC=C1Cl)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 2.643 1 3 -1.03657582686569 2886289 C1CN(CCN1C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4 1 4.985 2 1 -4.23008802297572 2886275 CCCCNC(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2 1 4.479 1 1 -11.7560174300901 2886270 CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC=CC=C4O.Cl Cl- 1 3.977 1 1 5.42830744076238 2886234 COC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 2.523 2 5 0 -6.81916250538094 2886223 CC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=C(C=C3)OC 1 0.334 3 4 0 -14.8882699716078 2886215 COC1=CC=CC(=C1)NC(=O)C2CC(=O)N=C(S2)N 1 1.103 3 3 0 -6.21615780356206 2886188 C1COCCN1CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 0.524 3 5 0 -10.4222031647858 2886183 C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=C(C=C3)[N+](=O)[O-].[Na+] Na+ 1 3.777 4 2 0.129848241822202 2886166 CCC1(CC2=CC=CC=C2C3=C1C(=O)N4CC(SC4=N3)C(=O)OCC)C 1 3.893 2 3 -13.4498014930205 2886128 C1CC(N(C1)C(=O)C2=CC=CC=C2Br)(C#N)C3=CC=CC=C3 1 3.865 2 1 -4.47459181512927 2886127 CCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-] 1 3.851 2 4 -6.72921330694168 2886111 CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=NC=C3 1 2.801 3 2 -14.9336462354102 2886110 CC1=C(C(NC(=O)N1)C2=CC=CS2)C(=O)N3CCCCC3 1 1.387 3 2 0 -27.5145006302924 2886109 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=NC=C2)[N+](=O)[O-] 1 1.061 3 4 0 -4.64558947474256 2886102 CC1(CCN2CCC(C3=C(C=CC1=C32)O)(C)C)C.CS(=O)(=O)O CS(=O)(=O)O 1 3.728 1 1 3.69213060849865 2886095 COC1=CC(=CC(=C1OC)OC)C(=O)NCCCNC2=CC=C(C=C2)[N+](=O)[O-] 1 2.403 3 6 0 -13.9353967134406 2886093 COC1=C(C=CC(=C1)SC)C(=O)NCCCN2C=CN=C2 1 1.367 3 2 0 -4.27386732758189 2886069 C1CCC(C(C1)C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O 1 4.329 1 3 -13.136500138846 2886047 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=CS3 1 2.534 2 4 -11.387161344704 2886040 C1CC(N(C1)C(=O)C2=CC=C(C=C2)Br)(C3=CC=CC=C3)C(=O)N 1 2.989 2 2 -3.07914227309241 2886038 CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O 1 2.824 1 5 -5.95212488359072 2886035 CC1=CC(=CC(=C1)N2C(=O)CC(C2=O)SC3=NC=NN3)C 1 2.341 4 2 -2.89590313430336 2886034 CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=C(O3)Br 1 2.65 1 4 -4.05628565125638 2886019 C1COCCN1CC#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl Cl- 1 3.431 1 2 -0.274892925235946 2886005 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 5.107 2 3 -10.6615004772727 2885993 C1C(CC(=O)C=C1NC2=C(C=C(C=C2)Cl)Cl)C3=CC=CO3 1 4.043 1 2 -9.00863106541231 2885991 CC(C)N(CC#CCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)C(C)C.Cl Cl- 1 5.196 1 1 -1.38380684446419 2885983 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)F)C(=O)C1)C 1 4.043 2 1 -24.6015754753467 2885975 CC1=NC(=NC=C1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC 1 2.076 3 3 -2.5367481200124 2885957 COC1=C(C=C(C=C1)C(=O)N2CCCC2(C#N)C3=CC=CC=C3)[N+](=O)[O-] 1 2.995 3 4 0 -9.34583710705566 2885947 C1CCN(C1)CC(=O)NCC23CC4CC(C2)CC(C4)C3.Cl Cl- 1 2.315 2 1 -7.08820608969082 2885931 COC1=CC=C(C=C1)C2CC(=CC(=O)C2)NCC3CCCO3 1 2.017 1 3 -13.0705370631455 2885930 CC(C)CCNC1=CC(=O)CC(C1)C2=CC=C(C=C2)OC 1 3.239 1 2 -13.0054654004821 2885924 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3OC)C(=O)CCC(=O)O 1 2.564 2 5 0 -13.9413454560636 2885920 CC1=CC=C(O1)C(=O)NCCCN2C=CN=C2 1 0.382 3 2 0 -4.3110631246092 2885911 CCOC(=O)C1=CC=CC=C1NC(=O)C(C)OC2=CC=CC=C2 1 3.138 1 4 -14.9632404034948 2885901 C1CC(OC1)CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 0.994 2 5 0 -11.9141426160808 2885889 CC1=CSC(=N1)NC(=O)C2CCCCC2C(=O)O 1 1.541 2 3 0 -5.51456983373765 2885888 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NCC=C)C)C 1 3.164 1 1 -12.797070252086 2885830 CC(C)COC1=C(C=CC(=C1)NC(=O)C2CCCNC2)OC 1 2.334 2 3 -14.6816475840061 2885834 CCOC(=O)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC 1 1.178 2 6 0 -9.49868289075033 2885835 CCCC(C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC 1 2.494 2 5 0 -17.0648630704811 2885841 C1C(CC(=O)C=C1NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl 1 4.858 1 1 -6.2960169008977 2885849 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.049 3 6 0 -12.3645703136999 2885882 C1CC(N(C1)C(=O)C2=CC=C(C=C2)Br)(C#N)C3=CC=CC=C3 1 3.865 2 1 -4.0566824720623 2885879 CC1(CC(=O)C(=CNCCN2CCN(CC2)C(=S)NC3CCCCC3)C(=O)C1)C 1 2.997 4 2 -21.3715251305536 2885878 CCN(CC)C1=NC(=NC(=N1)SCCOC(=O)NC2=CC=CC=C2)N(CC)CC 1 3.942 6 2 0 -8.55469708347671 2885824 CC1(C2(CCCCC2)OC(=O)N1CC=C)O 1 1.972 1 3 0 -4.97136629148398 2885774 CC1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)CCNC=C3C(=O)CC(CC3=O)C4=CC=C(C=C4)Cl)C 1 3.364 4 3 0 -13.4892427212382 2885801 CC1=CC=C(C=C1)C2CC(=O)C(=CNCCN3CCN(CC3)CC(=O)NC4=CC=C(C=C4)C)C(=O)C2 1 2.7 4 3 0 -15.7487963552125 2885794 COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])OC 1 2.507 2 6 0 -10.9571151379716 2885784 CC(=O)NCCCNC1=CC=C(C=C1)[N+](=O)[O-] 1 0.787 3 3 0 -9.24539547150122 2885748 CCC1(CC2=CC=CC=C2C3=C1C(=O)N4CC(SC4=N3)C(=O)O)C 1 3.319 2 3 -12.1032800893601 2885743 CC1=CC=C(C=C1)N2C(=NN=N2)C(=CC3=CC=C(C=C3)N(C)C)C4=NN=NN4C5=CC=C(C=C5)C 1 5.016 9 0 0 -8.67090040347013 2885728 CC1=CC2=C(C=C1C)[N+](=CN2CC(COCC3=CC=CC=C3)O)C.[I-] I- 1 4.671 2 2 5.64029011212144 2885704 CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3 1 2.923 4 2 2.82939902008087 2885681 C1CN(CCN1CC(COC2=CC=CC=C2Cl)O)CC(COC3=CC=CC=C3Cl)O 1 3.849 2 4 -4.24066518147436 2885679 CCOC(=O)C1=C(NC(=O)C(=C1)C(=O)NC(C)C2=CC=CC=C2)C 1 1.483 2 4 0 -15.1227984644892 2885648 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4)OC 1 1.602 2 8 0 -24.3279858435015 2885606 CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC=CO4)S2)C5=CC=CC=C5 1 4.929 2 4 -20.8186857178857 2885594 C1COCCN1C2=C(C=CC=C2Cl)[N+](=O)[O-] 1 2.238 2 3 -3.47647212628223 2885588 CC1=[N+](C2=CC=CC=C2N1CC(COC3CCCCC3)O)C.[I-] I- 1 3.465 2 2 2.24316600708973 2885579 C1=CSC(=C1)C2=CC(NC(=S)N2)C3=CC=C(C=C3)Br 1 4.474 2 0 -6.33664405984062 2885543 CCOC1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)N3C(=O)CCC3=O)C(=O)NC4=CC=CC=C4OCC 1 3.224 3 6 0 -19.4675521912295 2885532 CC(=O)CC(=O)NC1=CC=CC2=C1CCCC2 1 2.374 1 2 -7.05267212496698 2885461 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=C(C(=CC=C3)OC)O)C4=C(NN(C4=O)C5=CC=CC=C5)C 1 3.116 4 4 0 -4.10353135192278 2885424 CCC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.313 3 3 -9.89070616856693 2885420 CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5 1 4.171 5 2 0 3.72808303885729 2885413 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C23CC4CC(C2)CC(C4)C3 1 2.201 2 4 -9.20139008272703 2885339 COC1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)N3C(=O)CCC3=O)C(=O)NC4=CC=CC=C4OC 1 2.526 3 6 0 -18.6743014423495 2885313 CC1=CC=C(O1)C2=NN(C(C2)C3=CC=C(C=C3)OC)C(=O)C 1 2.276 2 3 -3.0812703324108 2885308 COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCCCC4 1 4.049 3 1 -0.315782565211013 2885307 C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)O 1 1.635 2 6 0 -18.5154498770468 2885301 C1=CC(=CN=C1)CNC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl 1 4.004 2 2 -1.56935974354341 2885266 CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCN(CC4)C)F 1 3.499 5 4 0 -4.56733744893494 2885201 CCC1=[N+](C2=CC=CC=C2N1CC(COC3CCCCC3)O)C.[I-] I- 1 4.132 2 2 2.70449758296754 2885134 CCOC1=CC2=C(C3=C(C=C(C=C3)NCC4=CC=C(C=C4)OC)N=C2C=C1)N 1 4.314 3 2 7.51275159763786 2885119 CCC1=[N+](C2=CC=CC=C2N1CC(COCC3=CC=CC=C3)O)C.[I-] I- 1 3.857 2 2 -0.271560617863377 2885117 CC1=CC=CC=C1OCC(=O)NCC2CCCO2 1 1.718 1 3 0 -12.8160668059655 2885105 CC(C)(C)NC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=CS3 1 3.445 3 3 -15.4698907310194 2885087 CCN(CC)CCOC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)C 1 4.912 3 1 -0.643994872470218 2885073 CC1=CC2=C(C=C1C)[N+](=CN2CC(COCC3CCC=CC3)O)C.[I-] I- 1 4.832 2 2 9.63732111940201 2885072 C1CCCC(CCC1)NC(=O)COC2=CC=CC=C2 1 3.644 1 2 -7.86528017496064 2885051 CC1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)O2 1 3.537 0 2 -1.46710539444141 2885047 CC1=C(C(CC(=O)N1)C2=C(C=CC(=C2)Br)F)C(=O)OC 1 2.266 1 3 -15.7235293636914 2885046 CCOC(=O)N1C(CC(=N1)C)(C2=CC=CC=C2)O 1 1.68 2 3 0 -5.60451541269766 2885027 C1CN(CCC1(C2=CC=C(C=C2)Br)O)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Cl 1 3.301 2 3 10.210071543748 2885026 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)NC(=O)CC5=CC=CC=C5 1 1.11 2 3 0 -9.52122311917956 2885020 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(CN2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3 1 2.946 3 6 0 -12.2540341213564 2885019 C1CCN(CC1)CC(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O 1 2.963 3 5 0 -12.6139425715208 2885014 CCOC(=O)CN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=CO3)O 1 1.291 1 6 0 -11.5228299449686 2885008 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCNC3=NC=C(C=C3)[N+](=O)[O-] 1 0.731 5 5 0 -11.7045541589035 2884985 CC1=C(SC=[NH+]1)CCOC(=O)C2=CC(=CC=C2)[N+](=O)[O-].[Cl-] Cl- 1 3.227 2 4 -6.93694476183843 2884980 CC1CC(CC2(C1)NC(=S)N(N2)C3=CC=CC=C3)(C)C 1 4.409 3 0 -1.81989701683412 2884971 COC1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3S2(=O)=O)O 1 1.67 1 6 0 -1.35267365310864 2884966 COC1=CC=CC(=C1)NC(=O)C2C3C2CCC4C(C4(Cl)Cl)CC3 1 3.561 1 2 -4.2386629266995 2884944 C1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.409 2 3 -6.66170838729278 2884924 CCOC(=O)C(C1CCCCC1)C(=O)NC2=CC=C(C=C2)C 1 3.989 1 3 -9.9866262804595 2884923 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)(C4=CC=C(C=C4)Br)O 1 2.841 2 5 0 3.05843970299789 2884922 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CCCCC2)O)C3=CC=CC=C3OC 1 3.538 2 4 -11.7915079719856 2884920 CC1=CC=C(C=C1)N(CC(CN2CCOCC2)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.233 2 4 -10.6914430592565 2884918 COC1=CC=C(C=C1)N(CC(CN2CCOCC2)O)S(=O)(=O)C3=CC=CC=C3 1 1.822 2 5 0 -11.4588953228402 2884895 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC6=C(C=C5)OCO6 1 2.558 3 5 0 -6.97476400328372 2884888 CC1(C(=O)N(C(=O)N1)CC(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)C 1 1.567 4 7 0 -15.8377540078771 2884887 C=CCNC(=O)C1CC1(C2=CC=CC=C2)C3=CC=CC=C3 1 3.27 1 1 -5.6844301847709 2884885 C1=CC=C(C=C1)C2C(C2(Cl)Cl)C(=O)NC3=CC=C(C=C3)F 1 3.631 1 1 1.30765444394422 2884884 CCCCN(CCCC)C(=O)C1CC=CCC1C(=O)O 1 3.103 1 3 -7.27056987521672 2884866 CC(C)CN(CC(C)C)C(=O)C1C(C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)O 1 4.618 1 3 -11.1414642070143 2884840 CC(C)(C)OC(=O)N1CC(CC1C(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)O 1 3.141 1 6 0 -7.81056055056516 2884829 CC1=CC(=NN1CC(COC2=CC=CC=C2[N+](=O)[O-])O)C 1 1.923 3 4 0 -10.5914925574198 2884826 C1C(CS1)OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3 1 3.066 1 2 -9.63709569516791 2884820 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCCC2C(=O)O 1 2.139 2 6 0 -7.58952798126164 2884818 C1=CC=[N+](C=C1)CC(=O)NC2=NC3=CC=CC=C3S2.[Cl-] Cl- 1 2.696 3 1 -4.22677318709821 2884786 CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC=C(O3)C 1 1.893 2 3 0 -4.1870902139928 2884775 CC1=CC=C(C=C1)C2(CC2C(=O)NCC=C)C3=CC=C(C=C3)C 1 4.243 1 1 -4.57426007512472 2884773 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CCC5=CC=CC=C5 1 2.147 1 2 -6.40864643617313 2884761 CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)CC3=CC=CC=C3 1 3.401 2 4 -9.30514183553726 2884741 CC1N(C(C(=[N+]1[O-])C2=CC=C(O2)C)(C)C)O 1 0.628 2 3 0 0.980469286335392 2884732 CC1(C(=O)N(C(=O)N1)CC(CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O)C 1 1.567 4 7 0 -16.9166561267554 2884731 C1CCN(CC1)C2(CCN(CC2)C3CC(=O)N(C3=O)CCC4=CC=CC=C4)C(=O)N 1 1.295 4 3 0 -2.85845724408692 2884712 CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=C(C=C3)OC.[Br-] Br- 1 4.778 1 4 -3.74687529455321 2884710 COC1=CC=C(C=C1)NC(=O)C2C3C2CCC4C(C4(Cl)Cl)CC3 1 3.561 1 2 -4.59536832138717 2884704 CC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)CC6=CN=CC=C6 1 2.862 2 2 -8.72520253408175 2884694 COC(=O)C1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C2=O)O 1 1.839 1 6 0 -8.12220232368912 2884688 CC1=C(SC=[N+]1CC(=O)C2=CC=C(C=C2)Br)C.[Br-] Br- 1 3.923 1 1 -1.73442292395397 2884678 C1=CC=C2C(=C1)N=C(S2)NC(=O)C[N+]3=CC=CC(=C3)CO.[Cl-] Cl- 1 2.091 3 2 -2.75586488783052 2884671 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)(C4=CC=C(C=C4)Br)O 1 2.969 2 4 7.20888349230906 2884646 C1CCN(CC1)CC(CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O 1 2.963 3 5 0 -11.4268132581312 2884610 CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3=C(CCCC3=O)NC(=C2C(=O)OC(C)C)C 1 2.82 2 7 0 -36.9573767099109 2884608 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(CN2CCOCC2)O)S(=O)(=O)C3=CC=CC=C3 1 1.717 3 7 0 -14.6526403322684 2884589 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C(=O)C(NC2=O)(C)C)O)C3=CC=CC=C3OC 1 2.142 3 6 0 -17.2813508406099 2884582 CC1=CC(=CC=C1)NC(=O)C2C3C2CCC4C(C4(Cl)Cl)CC3 1 4.064 1 1 -2.2947565589139 2884571 CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)COC3=CC=CC=C3 1 3.202 2 5 0 -7.12098940469794 2884570 C1=CC(=CC=C1NC(=S)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl 1 5.47 4 2 -5.74653314998956 2884552 C1COCCN1CC(COC2=CC(=CC=C2)OCC(CN3CCOCC3)O)O 1 0.428 2 6 0 -6.32457084238918 2884537 C1CCC(C(C1)C(=O)NC2=CC=CC=C2NC3=CC=CC=C3)C(=O)O 1 3.811 2 3 -2.95825680467359 2884535 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C(=O)C(NC2=O)(C)C)O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.053 4 7 0 -15.9232522609945 2884532 C1CS(=O)(=O)CC1NS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.157 1 4 0 -12.3321167643811 2884523 CC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3C4=CC=CC=C42)O 1 5.136 1 2 5.13013659108252 2884522 CC1=NC=CN1CC(COC2=CC=C(C=C2)OC)O 1 1.289 2 3 0 0.728225812534297 2884521 CC1=CC=CC=C1OCC(CN2C3=CC=CC=C3C4=CC=CC=C42)O 1 5.136 1 2 3.7923296150528 2884508 CCCCN(CCCC)CC(CN(C1=C(C=CC(=C1)[N+](=O)[O-])OC)S(=O)(=O)C2=CC=CC=C2)O 1 4.686 3 6 0 -11.6695020716417 2884507 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)Cl 1 1.74 2 3 0 -7.66046286567166 2884504 CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.696 3 4 0 -6.47565739376506 2884499 C1C(CC(=O)C=C1NCC2=CC=NC=C2)C3=CC=CC=C3 1 2.108 2 1 -8.81796058435066 2884497 CC1(C(=O)N(C(=O)N1CN2C(=O)N(C(=O)C2(C)C)CC(CN(C)C)O)CC(CN(C)C)O)C 1 -0.849 6 6 0 -4.39143652219538 2884496 CC(=NOCON=C(C)C1=C(C=C(C=C1)F)F)C2=C(C=C(C=C2)F)F 1 3.975 2 2 1.90567426499048 2884495 COC(=O)C1C(C(=NN1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.486 2 3 -7.9243331580458 2884493 COC1=CC(=C(C=C1)N(CC(=O)NCC(=O)OC)S(=O)(=O)C2=CC=CC=C2)OC 1 1.257 2 7 0 -22.5738150815792 2884448 CCOC(=O)C1C(C(=NN1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.834 2 3 -9.29621112872045 2884440 C1C2C=CC1C(C2C(=O)NC3=CC=CC=C3C(=O)O)C(=O)O 1 1.122 1 5 0 -5.56377591271086 2884437 C1C(C1(Cl)Cl)(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3F 1 3.6 1 1 -3.42098321496459 2884435 C1C2C1C3C=CC2C4C3C(=O)N(NC4=O)C5=CC=CC=C5 1 1.204 2 2 0 -5.874425446105 2884425 CC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C(=O)OC)(C3=CC=C(C=C3)Cl)O 1 3.504 2 4 -5.07721050599329 2884422 CC1=C(C(=CC=C1)NC(=O)C2(CC3C4=CC=CC=C4C2C5=CC=CC=C35)C)C 1 5.81 1 1 -2.52188502661377 2884412 CCC1(NC(=S)N(N1)C2=CC=C(C=C2)C)C3=CC=CC=C3 1 5.071 3 0 3.40522870168875 2884390 CC(C)CN(CC(C)C)CC(CN(C1=C(C=CC(=C1)[N+](=O)[O-])OC)S(=O)(=O)C2=CC=CC=C2)O 1 4.413 3 6 0 -11.8313628712137 2884389 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)(C4=CC=C(C=C4)Br)O 1 2.62 2 4 7.97510664401708 2884378 CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.828 3 4 0 -1.46797393284204 2884361 CC1=CC=C(C=C1)C(=O)C=CNCC2=CC=CC=C2 1 3.258 1 1 -0.550728402381027 2884356 C1CC12C3C=CC2C4C3C(=O)N(C4=O)CC5=CN=CC=C5 1 0.629 2 2 0 -4.7317933795042 2884336 CC(C)(C)C1(CC(=NN1C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F)O 1 3.251 3 4 0 1.05414762204156 2884333 CC1=C(SC=[N+]1CC2=CC=C(C=C2)[N+](=O)[O-])CCOC(=O)CC34CC5CC(C3)CC(C5)(C4)C.[Br-] Br- 1 6.148 2 4 1.05789016270163 2884325 CC1=C(SC=[N+]1CC(=O)C2=CC=C(C=C2)Br)CCOC(=O)C3C4CC5CC(C4)CC3C5.[Br-] Br- 1 6.269 1 3 0.834769995704587 2884310 C1=CC=C(C=C1)NC(=S)NCCOCCOCCNC(=S)NC2=CC=CC=C2 1 4.581 4 2 -10.5630201595538 2884305 CC1=C(C(=CC=C1)C)OCC2CNC(=O)O2 1 2.468 1 3 -5.77084796533434 2884295 CCOC(=O)C1C(C(=NN1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 3.499 2 3 -6.72882729182516 2884286 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCNC3=NC=C(C=C3)[N+](=O)[O-] 1 1.08 5 5 0 -12.4707773106115 2884284 CC(C)NC(C(Cl)(Cl)Cl)NC(=O)CC1=CC=CC=C1 1 3.199 2 1 -14.5891805179239 2884282 CC1=CC(=CC=C1)OCC(CN2C=CN=C2C)O 1 1.791 2 2 0 2.19001478768299 2884279 C1COCCOCCOCCNC(=S)N1 1 8.3e-002 2 3 0 -9.7295115658125 2884260 CCN1C(=O)C2C(C1=O)NN=C2C(=O)OCC 1 -0.707 3 4 0 -9.07261716488471 2884240 COC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC(=CC=C3)Br 1 3.766 2 4 -4.30741845499561 2884221 C1=CC=C(C=C1)C2=C(C2C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 4.115 2 3 -2.71020552604322 2884220 C1CCN(CC1)CC(CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O 1 2.963 3 5 0 -10.7417206901412 2884181 CC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3 1 4.942 0 4 -5.014089340137 2884176 CC1=CC=[N+](C=C1)CC(=O)NC2=NC3=CC=CC=C3S2.[Cl-] Cl- 1 3.182 3 1 -3.5489267543055 2884173 CCCCN(CCCC)CC(CN1C(=O)C(NC1=O)(C)C)O 1 2.126 3 3 -9.44895552295357 2884143 CC1(C(=O)N(C(=O)N1)CC(CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3)O)C 1 1.656 3 6 0 -14.5501319805524 2884136 CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC=C(C=C3)Br 1 3.1 2 2 -4.36658352536516 2884123 CC(=NOCON=C(C)C1=CC=CC=C1F)C2=CC=CC=C2F 1 3.564 2 2 -1.53831593538896 2884122 CC(C)(C)OC(=O)N1CC(CC1C(=O)OCC(=O)C2=CC=CC=C2)O 1 1.622 1 6 0 -11.7691045200722 2884097 CC1=CC=C(C=C1)NN=C(C)C2(N(C(C(=[N+]2[O-])C3=CC=CO3)(C)C)O)C 1 2.602 4 3 0 1.66847002980324 2884084 CC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC 1 4.942 0 4 -3.99403100219123 2884079 CC(C)CCNC1=CC(=O)CC(C1)C2=CC=CC=C2 1 3.255 1 1 -13.0448528755982 2884071 CC(C)C(C(=O)NCC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1 1 2.625 2 5 0 -21.1680368747237 2884069 CC1=C(SC=[N+]1CC(=O)C2=CC=C(C=C2)Br)CCOC(=O)C3=CC=CC=C3.[Br-] Br- 1 5.543 1 3 -3.03961308855874 2884068 CC1=CC=CC=C1NC(=O)C2C3C=CC(C2C(=O)O)C4C3C4 1 2.11 1 3 -7.23621991073437 2884065 CC1(C(=O)N(C(=O)N1)CC(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O)C 1 1.567 4 7 0 -18.103785440145 2884056 CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)CC34CC5CC(C3)CC(C5)(C4)C.[Br-] Br- 1 5.926 1 3 -1.91677485107808 2884054 CCOC1=CC=CC(=C1)N2C(=O)CC(C2=O)N3CCC(CC3)(C(=O)N)N4CCCCC4 1 1.299 4 4 0 -0.187628070455086 2884046 C1CN(CCN1CCO)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O 1 3.03 6 4 0 -11.90141621056 2884015 CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-] Br- 1 4.689 2 5 0 -5.49934982140135 2883993 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCO)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 2.929 5 4 0 -16.8475597499972 2883992 C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O 1 3.779 1 3 -0.538521624845078 2883960 CC1=CC=C(C=C1)N(CC(CN2CCCCC2)O)S(=O)(=O)C3=CC=C(C=C3)C 1 4.041 2 3 -8.57763220576536 2883940 COC1=CC=CC=C1N2C(=O)CC(C2=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.168 3 4 0 -10.1874935583528 2883936 C1=CC=C(C=C1)S(=O)(=O)C(CC(=O)C2=CC=C(C=C2)F)C3=CC=CS3 1 4.524 0 3 -3.50990580816205 2883934 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CCCCC2)O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.449 3 5 0 -10.4334093923702 2883921 C1=CC=C(C=C1)COC(=O)CNC(=O)CCC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 1 3.946 2 7 0 -22.3559179880337 2883916 C1COCCN1C2=CC=C(C=C2)N3C(=O)CC(C3=O)NC4=CC=CC=C4 1 2.184 3 3 -7.44568647900188 2883900 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC(=CC=C5)Cl 1 1.74 2 3 0 -7.00954811211382 2883882 CC1(C(=O)N(C(=O)N1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)C 1 2.678 3 3 -1.4100837631154 2883881 CC1=CC=CC=C1OCC2CNC(=O)O2 1 1.982 1 3 0 -2.86231518612834 2883859 CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)CCC(=O)O 1 1.325 1 6 0 -27.0236765313448 2883835 COC1=C(C=C(C=C1)CCNC(=O)C(=O)NCC2CCCO2)OC 1 0.958 2 5 0 -19.178321814857 2883826 C1C(=NC2=CC=CC=C2NC1=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F 1 3.431 2 1 -7.30052665160857 2883813 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CC3=CC=CO3)C 1 3.202 1 4 -1.20849247007039 2883812 CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 1.118 4 4 0 -13.6345258615259 2883807 COC1=C(C=C(C=C1)CCN2C(SCC2=O)C3=CC(=CC=C3)[N+](=O)[O-])OC 1 3.429 2 5 0 -15.836397397436 2883804 C1C=CCC(C1C(=O)NC2=CC(=CC=C2)Cl)C(=O)O 1 2.481 1 3 -1.26111213033896 2883798 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC=CC=N3 1 1.705 5 4 0 -7.78565122453834 2883791 C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.054 4 4 0 -9.62789749760998 2883789 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O 1 3.637 3 4 0 -18.19013282784 2883786 C=CCN(CC=C)C(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)Br 1 2.497 2 2 -15.5297207084995 2883771 CCOC1=CC=C(C=C1)C(C2=CC(=C(C=C2)OC)OC)NC(=O)C 1 2.869 1 4 -11.8755357189652 2883767 C1CCN(C1)C2=C(C=C(C=C2)C=NN3C=NN=C3)[N+](=O)[O-] 1 1.562 6 2 0 -0.498944298893386 2883762 CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-] 1 4.203 4 4 0 -9.01817526769192 2883761 CC(C1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32 1 2.581 2 2 -5.43858900818459 2883757 C1C2CC3CC1CC(C2)(C3)NC(=O)C4CC(=O)N(C4)C5=CC=CC=C5 1 2.452 2 2 -9.41034553977526 2883755 C1CN(CCN1CCNC(=O)C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 0.921 5 6 0 -26.136009321355 2883749 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 1.833 4 5 0 -10.5060468623066 2883747 CC1=CC(=C(C=C1)C)NC(=O)C2CC=CCC2C(=O)O 1 2.789 1 3 -5.1506982273042 2883735 CCC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CC=CC=C2)O 1 2.319 2 3 -8.63806579690372 2883729 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCCCN3C=CN=C3 1 1.61 4 3 0 -11.2170352402883 2883699 CN(CCO)C1=NS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-] 1 0.18 3 5 0 -1.47587640615779 2883692 C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC=CC=N3 1 3.391 5 3 0 -6.19656510182557 2883680 C1CCC(CC1)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.062 3 4 0 -12.2588696155039 2883667 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(=O)OC 1 2.227 2 4 -11.034394269047 2883666 C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC=CC=N3 1 2.478 5 3 0 -5.84209658765749 2883662 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NC3=NC=CS3 1 0.883 3 2 0 -7.20269666180282 2883659 COC1=CC=C(C=C1)NC(=O)C2CC(=O)N=C(S2)N 1 1.103 3 3 0 -6.57286319824973 2883657 CC1=CC(=NC(=N1)N=C(N)NC2=CC(=CC=C2)OCC3=CC=CC=C3)C 1 2.805 5 1 -3.59656115399103 2883649 C1C2CC3CC1CC(C2)(C3)NC(=O)NCC4=CC5=C(C=C4)OCO5 1 2.864 2 3 -9.26851458022563 2883648 C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53 1 5.295 5 4 0 -3.33677527483394 2883645 CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C=NN2C=NN=C2)[N+](=O)[O-] 1 3.485 6 2 0 -4.00234303322603 2883628 C1=CC=C(C(=C1)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])F 1 2.595 3 3 -11.7957652853129 2883624 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NN=CC3=C(C=CC=C3Cl)F 1 3.311 3 2 -9.71986697107663 2883616 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC=C 1 1.412 2 2 0 -14.4563522931016 2883609 CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CC3=CC=CC=C3)C(=O)O 1 3.83 2 4 -16.2434381477578 2883595 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 2.739 2 5 0 -15.4349799760958 2883593 CC(C1=CC=CC=C1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.603 5 5 0 -17.0895144242708 2883588 CC1(CC(=O)C(=CNCCN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)Cl)C(=O)C1)C 1 1.566 4 3 0 -14.2651660771632 2883587 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.791 4 4 0 -10.5792126588543 2883575 C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)NC3=NC=C(C=C3)Cl 1 4.792 2 1 -8.93614747748533 2883573 CC(C)CN1C=CC(=O)N(C1=O)CC(C)C 1 1.783 2 2 0 -7.69259262405269 2883565 CC1=C(C(=CC=C1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3)C 1 2.858 2 2 -3.27947420526828 2883561 CCOC1=CC=C(C=C1)C(C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=CO3 1 3.928 1 5 -12.5008386463446 2883546 C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NC3=NC=CS3 1 1.547 3 2 0 -5.11939477607377 2883514 COC1=CC=C(C=C1)C(C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=CO3 1 3.579 1 5 -11.6368855943622 2883512 C1C(C(C(=O)C=C1C2=CC=CS2)N3C=C(N=C3)[N+](=O)[O-])C4=CC=CS4 1 3.812 3 3 -7.38920476871029 2883505 C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3 1 2.167 2 2 -8.72287523937259 2883500 CC1=CC=C(C=C1)NC(=O)C(=O)NCC2CCCO2 1 1.149 2 3 0 -14.7377553747057 2883498 CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O 1 4.124 3 4 0 -17.2260722633183 2883482 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 3.344 2 4 -17.3321171773154 2883472 C1=CC=C(C=C1)S(=O)(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.819 3 4 0 -6.8682228375189 2883470 CC1CC2=CC=CC=C2N1C(=O)C3=CC(=C(C=C3)OC)OC 1 3.24 1 3 -11.6616058931196 2883459 CC(=O)NC1=NN(C(S1)(C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C 1 1.43 4 4 0 -12.1381341669966 2883455 CCC1=CC=C(C=C1)NC(=O)C(=O)NCC2CCCO2 1 1.605 2 3 0 -14.9771935104848 2883453 CCC(C(=O)O)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CO2 1 1.707 2 5 0 -16.7344650231668 2883450 C1=CC=C(C(=C1)C(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)F 1 3.259 3 3 -9.85798900570144 2883426 C1C(=O)N(C(S1)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4 1 4.037 2 2 -19.238204643534 2883423 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=N3 1 1.761 3 2 0 -4.21935739957451 2883420 CC(C)C1C(=O)N=C(S1)NN=CC2=CC=CO2 1 2.673 3 2 -4.43599952049791 2883416 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NN=CC3=CC=C(C=C3)C(=O)OC 1 1.794 3 5 0 -11.328052991412 2883402 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NN=CC3=CC=CS3 1 1.892 3 3 0 -9.75653880577277 2883397 CCCCOC(C)N1C=C(C(=O)NC1=O)F 1 0.462 2 3 0 -8.36411794365252 2883391 CC(=CC1C(C1(C)C)C(=O)NC2=NC=C(C=C2)Br)C 1 3.469 2 1 -6.66675144464037 2883388 C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53 1 4.839 5 4 0 -3.33677527483394 2883384 C1=CC=C(C(=C1)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])Br 1 3.138 3 3 -9.68470817312241 2883377 CN(CCOCC=C)C1=NS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-] 1 1.206 3 5 0 -7.83492476889031 2883369 C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.062 3 4 0 -10.6222408354443 2883362 C1=CC=C(C(=C1)C(=O)NCCNC2=C(C=C(C=C2)Cl)[N+](=O)[O-])F 1 3.259 3 3 -9.07930988985694 2883357 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O 1 3.621 3 5 0 -17.6390384724624 2883355 CS(=O)(=O)NCCNC1=C(C=CC(=C1)Cl)[N+](=O)[O-] 1 1.18 3 4 0 -5.73839976486173 2883331 C1C(C(C(=O)C=C1C2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-])C4=CC=CS4 1 3.858 3 3 -6.06661127168833 2883327 C1CC(OC1)CNC(=O)C(=O)NCCCN2CCOCC2 1 -1.025 3 4 0 -17.5016118183462 2883323 CCC(CC)NC1=NS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-] 1 2.288 3 4 0 -6.11059591636467 2883302 C1=CC=C(C=C1)S(=O)(=O)NCCCNC2=CC=C(C=C2)[N+](=O)[O-] 1 2.155 3 4 0 -8.80599911713036 2883298 CC(C)(C)CC(C)(C)NC1=NS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-] 1 2.883 3 4 0 -9.89552036798056 2883296 CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3 1 1.367 3 7 0 -15.2971328434392 2883293 CC(C)(CO)NC1=NS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-] 1 0.557 3 5 0 -6.7920815066204 2883292 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O 1 3.102 2 5 0 -14.6211372454074 2883284 CC1(CC(=O)C(=CNCCN2CCN(CC2)CC(=O)NC3=CC(=CC(=C3)Cl)Cl)C(=O)C1)C 1 2.23 4 3 0 -15.1597795666868 2883279 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CO4 1 3.033 3 5 0 -16.4176140916562 2883278 COC1=C(C=C(C=C1)CCNC(=O)C(=O)NC2=NC=CS2)OC 1 1.173 3 4 0 -15.1245270209918 2883270 COC1=CC=C(C=C1)C2CC(=CC(=O)C2)NCC3=CC=CC=C3 1 3.242 1 2 -9.06938356323814 2883263 CC(C1=CC=CC=C1)NC(=O)C(=O)NCC2CCCO2 1 1.047 2 3 0 -17.1243422396657 2883262 CCC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2 1 3.087 2 4 -22.9792329551687 2883253 C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NN=CC3=CC=CS3 1 1.908 3 2 0 -9.70227001829565 2883230 C1CC(OC1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 2.31 3 4 0 -19.2465571318422 2883205 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=O)N3C5=NC=C(C=C5)Br 1 3.297 4 3 0 -6.41950200255259 2883198 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC=CS3 1 1.369 3 2 0 -6.94139346666059 2883194 CCC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.82 5 4 0 -9.66653830420089 2883188 C1CC(OC1)CN2C(=O)C3=CC=CC=C3C2=O 1 1.221 1 3 0 -9.07829873696949 2883185 CCCC(=O)NC(C1=CC=C(C=C1)OCC)C2=CC(=C(C=C2)OC)OC 1 3.992 1 4 -19.0203530546686 2883181 C1=CC=C(C(=C1)C(=O)NCCNC2=CC=CC=C2[N+](=O)[O-])F 1 2.595 3 3 -12.0845566649839 2883177 CCN(CC)C1=NS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-] 1 1.417 3 4 0 -4.52910963897442 2883169 COC(=O)C1=CC=C(C=C1)NC(=O)C2C3CCC(C3)C2C(=O)O 1 1.792 1 5 0 -7.04079036572373 2883152 CC1CN(CC(O1)C)C(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C 1 3.182 2 2 -12.215098505077 2883150 CC(=O)NC1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.292 3 7 0 -23.072897862823 2883147 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2C3CCC(C3)C2C(=O)O 1 2.141 1 5 -8.37802050890874 2883145 COC1=C(C=C(C=C1)C2CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)F)OC 1 5.354 2 2 -5.42127975308659 2883143 CC(=O)NC1=CC=C(C=C1)NC(=O)C2C3CCC(C3)C2C(=O)O 1 1.057 2 4 0 -7.14553133710491 2883135 CC1=C(C(=NC(=S)N1CC2=CC=CC=C2)N3CCOCC3)C(=O)C 1 2.559 3 2 -7.1108391490016 2883130 C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC6=CN=CC=C6 1 2.656 2 2 -7.58814055878743 2883124 C1C=CCC(C1C(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)O 1 1.446 1 5 0 -5.73543791377917 2883123 C1CC2C=CC1C3C2C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5 1 1.911 1 4 0 0.801780781807111 2883112 C1CN(CCC1C(=O)N)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.303 3 3 3.42875727910565 2883110 C1CC2CC1C(C2C(=O)O)C(=O)NC3=CC=CC=C3 1 1.937 1 3 0 -4.11226773872501 2883106 CC(C(=O)OCC(=O)C1=CC=C(C=C1)Br)N2C(=O)C3C4CCC(C4)C3C2=O 1 2.75 1 5 -14.4625489559569 2883104 COC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O 1 1.75 1 6 0 -17.5630813719361 2883101 C1CC2CC1C(C2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=O)O 1 1.567 1 5 0 -5.68107012708643 2883094 C1CC2CC1C(C2C(=O)O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 1.831 2 5 0 -6.01163333479676 2883070 CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O 1 3.863 1 4 0.284630692992386 2883044 CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)C2C3CCC(C3)C2C(=O)O 1 2.984 1 5 -10.3149567669222 2883042 CC(=O)C1=CC=C(C=C1)NC(=O)C2C3CCC(C3)C2C(=O)O 1 1.677 1 4 0 -7.67029613114833 2883032 CC(=O)C1=CC(=CC=C1)NC(=O)C2C3CCC(C3)C2C(=O)O 1 1.677 1 4 0 -6.52657752347278 2883028 C1CC2CC1C3C2C(=O)N(C3=O)CNC4=CC=CC=C4 1 1.994 2 2 0 -8.06911545805942 2883026 COC(=O)C1=CC=C(C=C1)NCN2C(=O)C3C4CCC(C4)C3C2=O 1 1.85 2 4 0 -11.9048643266644 2883018 C1CCC2=C(C3=C(N2CC1)C(=NC=N3)N)C#N 1 1.963 5 0 0 -5.54628027626327 2883009 C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)NC(=O)N 1 2.905 3 1 0.553989051058246 2883004 C=COCCN1C2=CC=CC=C2N=C1C3=NON=C3N 1 1.641 5 2 0 -5.89601921922828 2882999 CC(C)(C)CC(C)(C)NCC(COC1=C(C=C(C=C1F)Br)F)O.Cl Cl- 1 4.434 1 2 -5.65999971113188 2882973 CC(C1=CC=CC=C1)NC(=O)CCOC2=CC=CC=C2 1 3.082 1 2 -13.4397849402578 2882964 C1C2CC3(CC1CC(C2)(C3)C(=O)NC4=NC=CS4)C(=O)NC5=NC=CS5 1 2.004 4 2 -4.41582642511133 2882956 CN(C)C1=C2C(=C(SC2=NC=C1)C(=O)C3=CC=C(C=C3)Br)N 1 3.599 3 1 -5.87865014344763 2882953 CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)O)C)C 1 1.377 2 4 0 -17.343346951965 2882944 C1CN(CC2=CC=CC=C21)CC(COCC3=CC=CC=C3)O.Cl Cl- 1 2.92 1 2 -9.0071780466012 2882875 C1CC2=C(C3C4=CC=CC=C4C(=O)N3C5=C(N2)C=C(C=C5)C(=O)C6=CC=CC=C6)C(=O)C1 1 4.136 2 3 -24.1567337013452 2882880 C1CC(OC1)CN2C(=O)C3=CC=CC=C3C4=CC=CC=C4C2=O 1 2.739 1 3 -9.68372223656139 2882883 CN1CCN(CC1)CCN2CCN3C2=NC4=CC=CC=C43.Cl Cl- 1 1.549 5 0 0 -1.80461181607845 2882889 COC1=CC=CC=C1CC2C(=O)C3CCN2CC3 1 2.232 1 2 -3.01083276651763 2882920 CC(=O)NCCOC1=CC2=C(C=C1)OC3=CC=CC=C32 1 2.509 1 3 -5.6581810164451 2882908 C1=CC=C2C(=C1)NC(=N2)NN=CC3=CC=CC=N3 1 2.146 5 0 5.56587253699528 2882903 CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC=CC3=CC=CC=C32 1 4.675 3 1 -15.5350813903929 2882897 CC1=C(C(NC(=O)N1C)C2=CC=C(S2)Br)C(=O)OC(C)C 1 2.411 2 3 -14.805580497528 2882867 CC(C)(C)CNC(CO)C12CC3CC(C1)CC(C3)C2.Cl Cl- 1 3.213 1 1 1.12516512510097 2882862 COC1=CC(=CC(=C1OC)OC)COCC(CN2CCC3=CC=CC=C3C2)O.Cl Cl- 1 2.871 1 5 -12.5875563642821 2882843 CN(C)C=NC1=CC2=CC3=C(C4=CC=CC=C4N3)N=C2C=C1 1 3.446 4 0 4.44369196340783 2882841 CN(C)CCNC(=O)COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3.Cl Cl- 1 3.421 2 2 -1.1141434422771 2882825 CC(C1=CC=CC=C1)NCC(COC2CCC(CC2)C(C)(C)C)O.Cl Cl- 1 4.127 1 2 -1.26213033383556 2882818 CC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3 1 3.839 2 2 -10.6358265333032 2882809 CC(C1=CC=CC=C1)NCC(COCC2=CC=C(C=C2)Cl)O.Cl Cl- 1 3.351 1 2 0.732455894308803 2882803 C1CCN(C1)CC(COCCC23CC4CC(C2)CC(C4)C3)O.Cl Cl- 1 2.935 1 2 2.0183414459564 2882797 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)(C(=O)N)N4CCCCC4 1 1.171 4 5 0 -3.78442120115305 2882788 CC(C)(C)C1CCC(CC1)OCC(CN2CCCC2)O.Cl Cl- 1 3.163 1 2 -3.94549141652688 2882787 C1CN2CCC1C3(C2=CC4=CC=CC=C4O3)O 1 1.684 1 2 0 3.54105402581322 2882725 CN1C(=O)CC(SC1=NC2=CC=C(C=C2)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.245 5 5 0 -4.45455504260893 2882769 CCOC(=O)C1=C(C2=C(N1CCCN(C)C)C=CC(=C2)OC)C3=CC=CC=C3.Cl Cl- 1 4.528 2 3 -0.748534246107278 2882766 COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=N4)OC 1 2.329 4 4 0 -1.1910483831953 2882759 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=C(C=C4)OC 1 3.275 3 4 0 -11.9884850386833 2882743 CCCCNC(=O)NC(C(=O)OC)C12CC3CC(C1)CC(C3)C2 1 3.015 2 3 -18.8555053798983 2882742 C1CN(CCC1O)C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br 1 1.197 2 3 0 4.15090116087799 2882709 CC(=O)N1CC2(C3=CC=CC=C31)NC4=CC=CC=C4C(=O)N2 1 1.572 3 2 0 -6.27892133259628 2882698 CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O 1 3.336 3 4 0 -4.22461060072373 2882691 C1OC2=C(O1)C=C(C=C2)OCC(CN(CCO)CCO)O.Cl Cl- 1 0.13 1 6 0 -2.03905422695294 2882683 CN1C(=O)CC(SC1=NC2=CC=C(C=C2)OC)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.86 3 5 0 -6.3609978117544 2882681 CC1CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N12 1 3.602 2 1 -18.9042744389623 2882666 CN=C(NC1=CC=CC=C1)SC2CC(=O)N(C2=O)C3=CC(=CC=C3)OC 1 3.091 3 3 -0.992209096964176 2882661 CCOC(=O)C1=C(C2=C(O1)C=CC=C2O)CN3CCOCC3.Cl Cl- 1 2.148 1 5 3.26413352475147 2882648 COC1=CC=CC=C1CC2C(=NO)C3CCN2CC3.Cl Cl- 1 2.299 2 2 -0.152956705044494 2882647 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C)C)CN(C)C.Cl Cl- 1 2.452 2 4 -2.77735875258307 2882641 COC1=C(C=CC(=C1)CC=C)OCC(CN2CCC3=CC=CC=C3C2)O.Cl Cl- 1 4.091 1 3 -15.2332683872196 2882636 CCN(CC)CC(COC1=CC2=C(C=C1)OCO2)O.Cl Cl- 1 1.907 1 4 0 -7.04994205494027 2882626 CC(C1=CC=CC=C1)NCC(COCCC23CC4CC(C2)CC(C4)C3)O.Cl Cl- 1 3.899 1 2 4.70170252864771 2882624 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)CC(CN(C)C)O)C.Cl Cl- 1 3.039 2 4 -1.93194608903355 2882599 CCC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NCC4=CC=CO4)C5=CC=CC=C5 1 5.515 3 3 -37.2154308221237 2882591 CC1CCN(CC1)CC(COC2CCC(CC2)C(C)(C)C)O.Cl Cl- 1 3.871 1 2 -6.97743500291855 2882581 CC1(CC(=O)C(C(N1)(C)C)C(C2=CC=C(C=C2)[N+](=O)[O-])O)C 1 1.592 2 4 0 -7.88626279718345 2882578 C1CCC2(CC1)OC3C(OC4C(C3O2)OC5(O4)CCCCC5)COC(=O)C6=CC=CC=C6 1 3.781 0 7 0 -15.3880069622768 2882568 CC(C)NC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NC(C)C 1 2.309 2 2 -9.43130002796644 2882558 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4 1 1.985 2 4 0 -23.0868065183056 2882549 CC1(CC(=O)C(C(N1)(C)C)C(C2=CC(=CC=C2)[N+](=O)[O-])O)C 1 1.592 2 4 0 -9.20453580642092 2882539 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=CS3)NCCCO.Br Br- 1 2.161 3 2 -7.04080138779617 2882535 CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CO3)NC4=CC=CC=C41)C5=CC=C(C=C5)OC 1 3.35 2 4 -33.856416824289 2882511 C1=CC=C2C(=C1)C=CC=C2NC(=O)NCCCN3C=CN=C3 1 1.658 4 1 0 -7.21734447101368 2882497 CC1=C(C(=CC=C1)C)OCC(CN2CCN(CC2)C3=CC=CC=N3)O 1 3.431 3 2 -1.86498818523591 2882495 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=N4 1 2.847 4 2 -10.031245647913 2882465 CC1=C(C=C(C=C1)OCC(=O)NC(C)C2=CC=CC=C2)C 1 3.806 1 2 -9.46207428856132 2882451 CCC(CO)N/C=C/1\C(=O)CCC(C1=O)C(=O)C2=CC=CC=C2 1 1.453 1 4 0 -5.51485865026301 2882440 COC1=C(C=CC(=C1)CC=C)OCC(CN2CCC(CC2)CC3=CC=CC=C3)O.Cl Cl- 1 5.09 1 3 -7.31281968370067 2882437 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCN(CC5)C 1 3.817 2 1 7.68748299152913 2882431 COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC=CC=C3 1 1.919 2 4 0 -7.31868279051793 2882430 CCN1C(=O)CC(C1=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 2.082 3 2 5.40486135774608 2882426 CC1CCCN(C1)CC(COCC2=CC=CC=C2)O.Cl Cl- 1 2.498 1 2 -5.70658348033776 2882420 CN(C)C(=O)CC12CC3CC(C1)CC(C3)(C2)CC(=O)N(C)C 1 1.338 2 2 0 -3.9842809810441 2882414 CC1(CC(=O)C(=CNCCN2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)C1)C 1 1.663 4 3 0 -16.0486715455069 2882401 CCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C)C 1 1.282 3 7 0 -21.2223639294887 2882395 CC1=C(C=CC(=C1)OCC(CNC(C)C2=CC=CC=C2)O)C(C)C.Cl Cl- 1 4.547 1 2 -0.338470159412465 2882384 C1=CC=C(C=C1)NC(=O)CSCCNS(=O)(=O)C2=CC=CC=C2 1 1.991 2 3 0 -11.5049199251017 2882365 CC1CN(CC(O1)C)CC(COCC2=CC3=C(C=C2)OCO3)O.Cl Cl- 1 1.472 1 5 0 -9.30259221576624 2882354 CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 3.178 2 3 -12.4267937885191 2882343 CCCCNC(=S)NNC(=O)C12CC3CC(C1)CC(C3)C2 1 3.639 3 1 -11.6864028386223 2882340 CCCC(=O)OC1CC(N(C2=C1C=C(C=C2)C)C(=O)C3=CC=CC=C3)C 1 4.491 1 3 -12.7280654584061 2882326 C1CCC2(CC1)OC3C(O2)C(OC4C3OC5(O4)CCCCC5)C(=O)O 1 1.865 0 7 0 -13.1446342630319 2882312 CN(C)NC(=O)C(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4.Cl Cl- 1 2.421 3 2 -14.8184095177349 2882308 CC1CCCN(C1)CC(COC2=CC3=C(C=C2)OCO3)O.Cl Cl- 1 2.446 1 4 -6.01356230690369 2882305 CC(C)(C)NCC(COCC1=CC=C(C=C1)Cl)O.Cl Cl- 1 2.321 1 2 -3.89997889786942 2882286 CCCCOC(=O)CN1C2=CC=CC=C2N(C1=N)CCN(CC)CC 1 3.031 4 2 -6.79353881827489 2882278 CC1CCCC(N1CC(COC2CCC(CC2)C(C)(C)C)O)C.Cl Cl- 1 4.374 1 2 -8.03349462376256 2882273 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CC=C4 1 1.272 4 4 0 -24.8979372939261 2882269 CC1=CN=NN1C2=CC=C(C=C2)C(=NNC3=CC=C(C=C3)[N+](=O)[O-])C 1 3.228 6 2 0 -5.7827190056015 2882268 CCOC(=O)C1=C(N/C(=C\N(C)C)/C1=O)C 1 -0.202 2 3 0 -14.0301518264628 2882259 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CO3)C(=O)OC4CCCCC4 1 3.61 1 4 -38.9759057854272 2882256 CC1=C(C(NC(=O)N1C)C2=CSC=C2)C(=O)OCC3=CC=CC=C3 1 2.516 2 3 -18.982242529721 2882245 CC(CO)NCC12CC3CC(C1)CC(C3)C2.Cl Cl- 1 2.097 1 1 1.20315807322652 2882239 C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.418 3 4 0 -12.578724799836 2882232 CC1(CC(=NO)C(C(N1)(C)C)C(C2=CC(=CC=C2)[N+](=O)[O-])O)C 1 1.659 3 4 0 -6.66307110692175 2882229 CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN(C)C)C3=CC=C(C=C3)C)C.Cl Cl- 1 4.573 2 3 1.89456935149044 2882226 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)(C4=CC(=CC=C4)C(F)(F)F)O 1 3.686 2 4 9.61112556643364 2882225 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)NCC3=CC=CS3 1 2.468 2 2 -3.8801650869965 2882208 CNC(=O)C1=CC2=C(N1CCN(CC3=CC=CC=C3)CC4=CC=CC=C4)C=CC(=C2)OC.Cl Cl- 1 5.118 3 2 -1.97530503084305 2882204 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)NN=CC4=CC=C(O4)[N+](=O)[O-] 1 4.738 5 3 0 8.37882721514482 2882192 CCCC\1=NN(C(=O)/C1=C\N(C)C)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.074 4 3 0 -8.16825576428904 2882158 C1C2CC3CC1CC(C2)(C3)CCOCC(CN(CCO)CCO)O.Cl Cl- 1 1.395 1 4 0 4.79855091230022 2882151 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CO3)C(=O)OCC4=CC=CC=C4 1 3.335 1 4 -36.520370712989 2882148 CC1(CC(=O)C(=CNCCN2CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=CC=C4)OC)C(=O)C1)C 1 0.944 4 5 0 -6.70153895593459 2882137 CCN1CCN2C3=C(C=C(C=C3)Br)C4=C2C1CCC4.Cl Cl- 1 4.519 2 0 7.53632702649211 2882129 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC(C)C 1 4.38 1 1 -2.66486317493327 2882119 CC(=O)N1C(C2CC=CC2C3=C1C=CC(=C3)Cl)C4=CC=CC5=CC=CC=C54 1 5.083 1 1 2.85559238728156 2882111 CC1CCCC(N1CC(COC2=C(C=CC(=C2)C)C)O)C.Cl Cl- 1 4.086 1 2 -6.88947497116236 2882108 CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CO3)NC4=CC=CC=C41)C5=CC=CO5 1 3.321 2 4 -34.5566466413498 2882086 CC1=C(C(NC(=O)N1C)C2=CSC=C2)C(=O)OCCC3=CC=CC=C3 1 2.837 2 3 -18.619721013546 2882083 CC(=O)N1C(C2CC=CC2C3=C1C=CC4=CC=CC=C43)C5=CC=C(C=C5)Br 1 5.167 1 1 1.81166072581024 2882073 CC(=C)CC1C(NC2=CC=CC=C2N1)CC(=C)C 1 4.092 2 0 -7.63597349813181 2882071 CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)N(C)C)C(=O)CC(C2)(C)C)C 1 3.602 2 3 -37.7459668093012 2882066 CC(C)NCC(COC1CCC(CC1)C(C)(C)C)O.Cl Cl- 1 2.893 1 2 -3.19413630253348 2882063 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N(C2=N)CCO)Cl.Cl Cl- 1 2.867 3 1 1.33997893576279 2882051 CCN1CCN2C3=C(CCCC31)C4=C2C(=CC=C4)C.Cl Cl- 1 4.257 2 0 3.01652441413691 2882046 C1=C(C(=NC=C1[N+](=O)[O-])N(CCO)CCO)C#N 1 -0.545 4 4 0 -4.32605219375183 2882039 CC1=C(C(NC(=O)N1C)C2=CSC=C2)C(=O)OC(C)C 1 1.659 2 3 0 -20.8198889876681 2882036 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCOCC4.Cl Cl- 1 4.455 2 4 -2.04441856418378 2882027 CCN1CCN2C3=C(C=C(C=C3)Cl)C4=C2C1CCC4.Cl Cl- 1 4.435 2 0 8.36196546495742 2882026 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NCC4=CN=CC=C4)C)C 1 2.98 2 1 -11.4684316330323 2882022 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C=C4)F)F)C(=O)C1)C 1 4.249 2 1 -23.1201124986179 2882015 CC(C(=O)O)NC(=O)C12CC3(CC(C1)(CC(C3)(C2)C)C)C 1 2.513 1 3 -12.9546590458537 2882012 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=CC=C4)F)C(=O)C1)C 1 4.043 2 1 -23.7484176312921 2882008 CC\1=NN(C(=O)/C1=C\N(C)C)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.951 4 3 0 -6.56400496882572 2881999 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CCCCC2)O)C3=C(C=CC(=C3)[N+](=O)[O-])OC 1 3.433 3 6 0 -11.3580244821202 2881977 CC1=C(C=C(C=C1)OCC(CNC(C)C2=CC=CC=C2)O)C.Cl Cl- 1 3.839 1 2 0.134188526265452 2881968 C1CC2=C3C(=NCC(CN3C4=C2C=C(C=C4)Cl)O)C1 1 3.374 2 1 4.90169637492816 2881956 CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCC3=CC=CC=C3C2)O.Cl Cl- 1 4.78 1 2 -6.80283379506109 2881951 C1CCN(C1)CC(COCC2=CC=CC=C2)O.Cl Cl- 1 1.722 1 2 0 -4.51228486673084 2881930 COP(=O)(C1(C2=C(C=CC(=C2)Br)NC1=O)O)OC 1 0.485 1 5 0 -3.53979951085941 2881926 CCN1C2=CC=CC=C2N=C1C(C3=CC(=C(C(=C3)OC)OC)OC)O 1 3.158 2 4 -5.74731458491023 2881925 C1CCN(C1)C2=C(C(=C(C=C2)[N+](=O)[O-])Br)F 1 3.301 2 2 1.46511329624679 2881919 CN1C2=CC=CC=C2N(C1=N)CC(C3=CC=CO3)O.Cl Cl- 1 1.52 3 2 0 -3.67465267963022 2881890 CC(C)C1=NC=C(N1C)C(C2=CC=CC3=CC=CC=C32)O 1 3.414 2 1 -3.02467907224906 2881862 CCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC(=C(C=C3)Cl)Cl.Br Br- 1 4.616 3 1 -3.1725588867081 2881855 COC1=C(C=C(C=C1)C(=O)C[N+]2=CN(C=C2)C=C)OC.[Br-] Br- 1 2.573 2 3 -4.32871335820109 2881840 C1CN=C2N(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)Br.Cl Cl- 1 3.578 3 0 -5.07457346999015 2881831 CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)O)OC)CCN(C)C)O 1 0.592 2 5 0 -18.0636444640421 2881820 CCCN1C2=CC=CC=C2N=C1C(C3=CC(=C(C(=C3)OC)OC)OC)O 1 3.682 2 4 -6.73256481724038 2881807 C=CN1C=C[N+](=C1)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3.[Br-] Br- 1 4.124 2 1 3.82074857829298 2881806 CCC(C)C1C(=C(OC2=NNC(=C12)C3=CC=CC=C3)N)C#N 1 3.786 4 1 -7.80287950213366 2881800 CCN(CC)CCCN1C(SCC1=O)C2=CC3=C(C=C2)OCO3.Cl Cl- 1 2.329 2 3 -13.6756664459816 2881787 C1CCN(CC1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-].Br Br- 1 3.365 5 3 0 -8.90655394665543 2881779 CCOC(=O)C1=C(OC(=C(C1C2CCCCC2)C#N)N)C3=CC=CC=C3 1 3.871 2 3 -10.553139562886 2881773 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3CCC=CC3 1 2.218 4 1 -3.98819041240353 2881767 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CSC4=CC=CC=N4 1 3.375 2 3 -10.660770677378 2881765 CC(C)N1C2=CC=CC=C2N=C1C(C3=CC(=C(C(=C3)OC)OC)OC)O 1 3.536 2 4 -6.23220158231296 2881755 COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 1 1.989 2 5 0 -17.1496769393086 2881753 C1CCN(CC1)CCN2C3=CC=CC=C3N(C2=N)CC(C4=CC(=C(C=C4)Cl)Cl)O.Cl Cl- 1 4.616 4 1 1.21491858182271 2881750 CC1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)F)F)[N+](=O)[O-])F 1 4.715 4 3 0 -6.30182438295647 2881740 CCOP(=O)(C1(C2=C(C=CC(=C2)Br)NC1=O)O)OCC 1 1.183 1 5 0 -4.67833922950505 2881738 CCOP(=O)(C1(C2=CC=CC=C2NC1=O)O)OCC 1 0.434 1 5 0 -6.23199086839445 2881730 CCC(C)C1C(=C(OC2=C1C(=O)CC(C2)(C)C)N)C#N 1 2.442 2 2 -17.9985780314018 2881724 CCCC(C)C1C(=C(OC2=C1C(=O)OC3=CC=CC=C32)N)C#N 1 3.184 2 3 -12.4242746830094 2881716 CNC(=S)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3 1 4.921 2 0 -2.04567465164082 2881708 C1CN2C3=CC=CC=C3N(C2=N1)CC4=CC(=C(C=C4)Cl)Cl.Cl Cl- 1 4.096 3 0 -2.28159051002373 2881707 CC1=NN=C(C2=CC=CC=C12)NC3=CC=C(C=C3)C(=O)N4CCOCC4 1 1.956 4 2 0 -12.4192481961126 2881692 CCN(CC)CCN1C2=CC=CC=C2N(C1=N)CC(C3=CC=CO3)O.Cl Cl- 1 2.356 4 2 -3.94574744758479 2881687 C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-].Br Br- 1 3.893 4 3 0 -5.6655638257128 2881667 CC(C)CC1C(=C(OC2=NNC(=C12)C3=CC=CC=C3)N)C#N 1 3.786 4 1 -9.50777746779506 2881663 CN1C2=CC=CC=C2N=C1C(C3=CC(=CC=C3)OC)O 1 2.842 2 2 -1.75070867554944 2881653 CCN1C=CN=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.126 2 1 -0.550229408255426 2881643 CCOC(=O)C1=C(OC2=C(C1C3CCCCC3)C(=O)CC(C2)(C)C)N 1 3.308 1 4 -19.2578624637877 2881640 C=CN1C=C[N+](=C1)CC(=O)C2=CC=C(C=C2)Cl.[Br-] Br- 1 3.27 2 1 2.47985086688211 2881638 C1CCC(CC1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N 1 3.292 2 2 1.30605773795026 2881633 CC1=NN=C(C2=CC=CC=C12)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.56 4 2 0 -10.3677300248462 2881624 CCN(CC)C1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OC(C)C)(C)O)C(=O)OC(C)C 1 3.39 1 6 0 -16.8172716957148 2881607 C[N+]1=CN(C=C1)CC(=O)C2=CC=C(C=C2)Br.[Br-] Br- 1 3.27 2 1 2.3590116020888 2881606 C1CCC(CC1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC=NC=C3 1 2.752 3 2 -0.841162248821555 2881603 CC(=O)N1C2C(N(C(=O)N2C)C(=O)C)N(C1=O)C(=O)C 1 -1.23 4 5 0 -9.09191690637527 2881597 CC(C)(C)C(=O)C[N+]1=CN(C=C1)C=C.[Br-] Br- 1 2.478 2 1 -3.76099061771252 2881592 C1=CC(=C(C=C1Cl)Cl)CSCC2=NN=C(S2)N 1 3.211 3 0 -1.90966696024102 2881583 CC1(CC2=CC=CC=C2C(=N1)NN=CC3=CC(=CC=C3)F)C.Cl Cl- 1 3.806 3 0 1.15589086019418 2881568 C1CCC(CC1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N 1 2.788 3 1 0.426614493103497 2881566 CCCCNC(=O)NC1C(N(C(=O)N1C)C)NC(=O)NCCCC 1 1.033 6 3 0 -13.8828237923447 2881565 CC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2C(C)C)O 1 4.071 2 1 -3.12989404719826 2881558 CC1=CC=C(C=C1)C(=O)C[N+]2=CN(C=C2)C=C.[Br-] Br- 1 3.092 2 1 0.657852176295288 2881553 COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)OC 1 3.573 2 2 -0.921655962721363 2881546 CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)OC 1 4.076 2 1 -0.677462602486659 2881527 CCCN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)C)O 1 4.217 2 1 -3.63025728212568 2881519 CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(C4=CC=CO4)O.Cl Cl- 1 4.504 3 2 2.7449075698273 2881512 COC1=C(C=CC(=C1)C2N(C(=O)CS2)CCN3CCCCC3)O.Cl Cl- 1 2.46 2 3 -10.1301278508469 2881486 C[N+]1=CN(C=C1)CC(=O)C2=CC=C(C=C2)OC.[Br-] Br- 1 2.505 2 2 1.58070644745928 2881472 C1CCN(CC1)CCN2C(SCC2=O)C3=CC=CC=C3F.Cl Cl- 1 2.924 2 1 -11.763039574583 2881463 CCN(CC)CCCN1C(SCC1=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl Cl- 1 2.455 3 3 -13.4569128938501 2881454 CC1=C(C(C(=C(N1)SC)C#N)C2=CC=NC=C2)C(=O)NC3=CC=CC=C3 1 2.383 4 1 -23.2044344584343 2881449 C=CN1C=C[N+](=C1)CC(=O)C2=CC=CS2.[Br-] Br- 1 2.559 2 1 -2.93347975967861 2881439 CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC(=C(C=C3)Cl)Cl.Br Br- 1 4.092 3 1 -2.11851567948557 2881438 CCN1C2=CC=CC=C2N=C1C(C3=C(C=CC(=C3)OC)OC)O 1 3.175 2 3 -4.22737839069099 2881419 CN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC(=C(C=C3)Cl)Cl.Br Br- 1 3.743 3 1 -3.72083821271266 2881415 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N(C2=N)CC(C4=CC=CO4)O)Cl.Cl Cl- 1 3.768 3 2 -0.631857136211053 2881411 CC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCCC3 1 1.932 4 3 0 -5.64524399454541 2881397 COC1=C(C=C(C=C1)CCN2C(SCC2=O)C3=CC(=C(C=C3)O)OC)OC 1 3.276 1 5 -10.471029082835 2881390 C=CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].Br Br- 1 2.926 4 3 0 -11.6617044002875 2881385 C[N+]1=CN(C=C1)CC(=O)C2=CC=C(C=C2)Cl.[Br-] Br- 1 3.186 2 1 3.81567134719024 2881379 C1CN2C3=CC=CC=C3N(C2=N1)CC(=O)C4=CC=CO4.Cl Cl- 1 1.834 3 2 0 -9.06153782028241 2881378 COC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4)OC 1 1.973 2 6 0 -21.3549171437897 2881369 CC1=CC=CC=C1CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].Br Br- 1 4.379 4 3 0 -5.02297485274597 2881368 CC1CCCC(C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F 1 3.516 2 1 -2.07725642452868 2881349 CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].Br Br- 1 2.658 4 3 0 -6.92143949103992 2881340 C1CC(CC=C1)CN2CCN(CC2)C(=O)CC3=CC=CC=C3 1 2.98 2 1 -2.68891789994289 2881329 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl.Br Br- 1 4.557 4 3 0 -4.0321096803557 2881324 C=CN1C=C[N+](=C1)CC(=O)C2=CC=C(C=C2)Br.[Br-] Br- 1 3.354 2 1 1.02319112178067 2881322 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4)OC 1 2.862 3 3 -2.58789769362589 2881318 COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4 1 4.162 2 3 -0.241243836600832 2881315 CCCN1C2=CC=CC=C2N=C1C(C3=C(C=CC(=C3)OC)OC)O 1 3.698 2 3 -5.21262862302113 2881296 CC(=O)NC1=NN(C(S1)C2=CC=C(C=C2)F)C(=O)C 1 1.802 3 2 0 -10.5226074571731 2881295 C=CCN1C2=CC=CC=C2N(C1=N)CC(C3=CC=CO3)O.Cl Cl- 1 2.137 3 2 -6.81259505565074 2881285 C1CCN(CC1)CCN2C(SCC2=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl Cl- 1 2.613 3 3 -13.464786244891 2881281 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(C4=CC=CO4)O.Cl Cl- 1 3.59 3 2 0.166773420715999 2881279 CC1=CC=CC=C1CN2C3=CC=CC=C3N4C2=NCCC4.Cl Cl- 1 3.315 3 0 -7.22940814479285 2881273 CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CO3.Br Br- 1 2.159 3 2 -3.28409429446564 2881264 CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3CCCCC3 1 3.786 4 1 -5.06237800297453 2881246 CC(C1C(=C(OC2=C1C(=O)CCC2)N)C#N)C3=CC=CC=C3 1 2.56 2 2 -15.2510558665415 2881241 CCCC1=NC=C(N1C)C(C2=CC=CC=C2OC)O 1 2.483 2 2 -5.58998236645855 2881236 C=CN1C=C[N+](=C1)CC(=O)C2=CC(=C(C=C2)Cl)Cl.[Br-] Br- 1 3.934 2 1 1.91752140000026 2881232 COC1=CC=C(C=C1)C(=O)C[N+]2=CN(C=C2)C=C.[Br-] Br- 1 2.589 2 2 0.244885967151149 2881224 C1COCCN1CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-].Br Br- 1 2.136 5 4 0 -11.3051601575675 2881219 COC1=C(C=C(C(=C1)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C=O)C=O 1 4.683 2 3 -2.88680561395711 2881206 CC1CCC/C(=C(\C#N)/C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)/C1 1 5.157 2 2 -6.9861275986314 2881203 CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)OC)OC)CCN(C)C)O 1 0.817 2 5 0 -23.0540016128755 2881193 C1CN=C2N(C1)C3=CC=CC=C3N2CC4=CC(=C(C=C4)Cl)Cl.Cl Cl- 1 4.158 3 0 -3.88018748185909 2881163 CCN1C2=CC=CC=C2N(C1=N)CC(C3=CC=CO3)O.Cl Cl- 1 1.869 3 2 0 -2.07233014640312 2881159 CC1=CC=CC=C1CN2C3=CC=CC=C3N(C2=N)CC(C4=CC=CO4)O.Cl Cl- 1 3.59 3 2 -1.62272230860132 2881154 CCN1C=CN=C1C(C2=C(C(=CC=C2)OC)OC)O 1 1.546 2 3 0 -6.79004281575303 2881140 CCC(CC)C1C(=C(OC2=NNC(=C12)C3=CC=CC=C3)N)C#N 1 4.243 4 1 -5.95300484345948 2881132 CCSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)Cl 1 5.161 2 0 -0.802314553247815 2881131 CCCN1C2=CC=CC=C2N=C1C(C3=CC(=CC=C3)OC)O 1 3.715 2 2 -4.18964988263086 2881123 C1C(=O)N(C(S1)C2=CC=CC=C2F)C3=CC=CC=C3 1 3.444 1 1 -11.0297191253876 2881119 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NCCO 1 1.224 3 3 0 -14.2607919719404 2881113 C1CCN(CC1)CCN2C(SCC2=O)C3=CC(=CC=C3)[N+](=O)[O-].Cl Cl- 1 2.613 3 3 -14.9608881098672 2881106 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N4C2=NCC4.Cl Cl- 1 3.253 3 0 -3.84131544364018 2881103 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3CCC=CC3 1 2.632 2 3 -9.70351868002996 2881101 COC(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3CCC=CC3 1 4.156 2 2 -15.5400107068512 2881100 C1COCCN1C2=C(C=C(C(=C2)C(=O)N3CCOCC3)[N+](=O)[O-])F 1 0.881 3 5 0 -9.28826736064345 2881095 C1CCN(C1)CCN2C3=CC=CC=C3N(C2=N)CC(C4=CC(=C(C=C4)Cl)Cl)O.Cl Cl- 1 4.16 4 1 1.56938709599079 2881093 CCSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)C 1 4.983 2 0 -2.62431324383463 2881075 CCOC1=CC=C(C=C1)C(=O)NC(C)C2COC3=CC=CC=C3O2 1 3.211 1 4 -11.9611800792073 2881073 CCOC1=CC=C(C=C1)C(=O)NCC2C3=CC=CC=C3CCO2 1 2.926 1 3 -14.0632242530163 2881045 COC1=CC(=C(C=C1)C(=O)NCC2C3=CC=CC=C3CCO2)O 1 2.335 1 4 -8.46482823437904 2881039 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)C(=O)O 1 2.017 1 5 -4.19067708199451 2881037 CC(C1COC2=CC=CC=C2O1)NC(=O)C3=CC=CO3 1 2.273 1 4 -9.42843747584394 2881020 CC(C)SC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4CCCCC4C3=O 1 4.349 2 2 -4.36231271558076 2881000 CN1C(=CC(=O)N(C1=O)C)NN=CC2=CC=CS2 1 1.139 4 2 0 -9.68755385255853 2880983 CC1CC(N(C2=CC=CC=C12)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)(C)C 1 3.069 2 3 -6.95549258881752 2880981 CCCCN(CCCC)CC(COC1=CC=CC=C1C(=O)NC2=CC=CC=C2)O 1 4.883 2 3 -10.7090619244213 2880979 C1=CC(=C(C=C1C2=CC=C(O2)C=NNC3=NC=C(C=C3)[N+](=O)[O-])C(=O)O)Cl 1 3.593 4 5 0 -0.929648398901759 2880954 CCC1=NN(C(C1)(C2=CC=NC=C2)O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 1.797 4 4 0 -7.53111512986754 2880950 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3=CC=CO3 1 2.827 3 4 0 -0.568100080793951 2880923 CC(C)COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.684 2 4 -9.68879582815927 2880864 CC(C)C(=O)NC1=CC2=NN(N=C2C=C1)C3=CC=CC=C3 1 3.422 4 1 -10.0049764907187 2880837 CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O 1 3.012 1 4 -12.1467194924909 2880819 CC(C)COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 3.684 2 4 -10.232489301109 2880813 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 2.045 3 6 0 -6.8314051468807 2880767 C1CN(CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4 1 5.352 2 1 -2.36133486754316 2880686 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN(C)C)O)C2=C(C=CC(=C2)[N+](=O)[O-])OC 1 2.515 3 6 0 -7.88546064997213 2880679 C1CCN(CC1)CC(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O 1 2.963 3 5 0 -10.3479111392528 2880664 C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=NNC3=NC=C(C=C3)[N+](=O)[O-] 1 2.075 5 4 0 -5.26013549653018 2880652 C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)C4=CC=CS4 1 4.577 2 1 3.72001574984002 2880645 CC1=CC(=CC=C1)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.462 2 3 -5.55398860598383 2880628 C1CCN(CC1)C(=O)C(=O)NN=CC2=CC=CC=C2C(=O)O 1 1.126 3 4 0 -10.8245996138812 2880620 CCC(C)C1=CC=C(C=C1)NC(=O)N2CCOCC2 1 2.49 2 2 -7.08093504119657 2880606 CC(C)(C)C1=CSC(=N1)NN=CC2=CN=CC=C2 1 2.487 4 0 -0.823272966380486 2880577 C1CSC(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Cl 1 4.018 2 3 -14.2904588250599 2880512 CSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4CCCCC4C3=O 1 3.623 2 2 -3.52267184646351 2880492 C1=CC=C2C=C(C=CC2=C1)C(=O)ON=C(CC3=CC=C(C=C3)[N+](=O)[O-])N 1 3.224 3 4 0 2.78727137535603 2880486 CC(=NNC1=NC(=CS1)C(C)(C)C)C2=CC=CC=C2 1 3.618 3 0 -4.14990838625354 2880483 CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C(=O)N4C5=CC=CC=C5N=C4S3 1 5.169 3 1 -8.4945998657669 2880464 COC1=CC=C(C=C1)C(=O)CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 3.106 3 4 0 -4.6383108415854 2880443 C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(=O)C5=CC=C(C=C5)F 1 3.328 3 3 -3.513467606976 2880439 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl 1 5.301 3 4 0 4.7148674975693 2880422 CC1=CC=C(O1)C=NNC2=NC(=CS2)C(C)(C)C.Cl Cl- 1 3.178 3 1 -1.13664434525399 2880420 CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.891 3 3 -6.10329217527282 2880406 C1C(=NN(C1(C(F)(F)F)O)C(=O)COC2=CC=CC=C2)C3=CN=CC=C3 1 2.134 3 3 1.37595397835076 2880391 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CCOCC2)O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.219 3 6 0 -12.8320156032823 2880364 CCC(C)NS(=O)(=O)C1=CC=CS1 1 1.777 1 2 0 -11.5505510148155 2880309 CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(CC(=O)N3)C4=CC=CC=C4 1 2.882 5 2 0 -2.87506642776548 2880303 CC1=CC(=C(C(=C1)C)NC(=O)CC(=NNC(=O)OCC2=CC=C(C=C2)OC)C)C 1 3.96 3 4 0 -7.92204025228861 2880298 CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)C=NNC3=NC=C(C=C3)[N+](=O)[O-])C 1 4.234 5 2 0 -1.84788011316168 2880296 COC1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C2=O)O 1 1.967 1 5 0 -4.75908504568953 2880282 CCC1(CC(CCO1)C(CC(=O)O)C2=CC=C(C=C2)C)C 1 3.73 0 3 -6.61046242026495 2880275 CCN1C2=CC=CC=C2C(C1=O)CC3=NC4=CC=CC=C4C(=O)N3C 1 2.254 3 2 -5.62464292950353 2880273 C1C2(CN3CN1CN(C2)C3)C(C4=CC=C(C=C4)[N+](=O)[O-])O 1 0.779 4 3 0 -2.01636272467811 2880258 CCCNC(=S)N1CC2(CN(CC(C1)(C2=O)C)C(=O)C(=O)OCC)C 1 2.053 3 4 0 -16.1082586431806 2880256 CCC1(CC(CCO1)(CC(=O)O)C2=CC=CC=C2OC)C 1 2.726 0 4 -10.8285793630853 2880249 CCCN1C2=CC=CC=C2C(C1=O)(C3COC(CC3=O)(C)C)O 1 1.335 1 4 0 -6.30912431644995 2880236 CCN1C2=CC=CC=C2C(C1=O)(C3COC(CC3=O)(C)C)O 1 0.812 1 4 0 -5.40794852398443 2880232 CC12CNCC(C1=O)(CN(C2)C(=O)C(=O)OC)C 1 -0.578 2 4 0 -8.54765385404297 2880231 COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CCCC5 1 4.564 4 2 -15.6904435808407 2880151 C1C23C=CC(O2)C(C3C(=O)N1CC(COC4=CC=CC=C4)O)C(=O)O 1 7.5e-002 1 6 0 -4.83212074348555 2880101 CC(C)CCCC(C)CCOC(=O)CN1CCCC1 1 4.145 1 2 -10.333757374332 2880096 CC1=CC=CC=C1CN2CCN(CC2)CC3CC4CC3C=C4 1 3.767 2 0 8.78116171588752 2880064 C1=COC(=C1)CNS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl 1 2.464 1 5 -5.46463087080334 2879971 CC1=CC=C(C=C1)CN2CCN(CC2)CC3CC4CC3C=C4 1 3.767 2 0 10.6729693297722 2879966 C1CCCCCC2(CCCCC1)OCC(O2)CN3CCOCC3 1 3.82 1 3 3.73971539882378 2879926 CN(C)C(=O)OC1=C(C=C(C=C1)C=NNC(=O)CN2CC(CC2=O)C3=CC=CC=C3)OC 1 1.844 4 5 0 -15.6886491587457 2879910 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCN(CC2)C 1 2.697 3 1 -5.73983008155258 2879875 CC1=C(C=C(C=C1)NC(=NC2=NC(=CC(=N2)C)C)N)[N+](=O)[O-] 1 2.265 6 2 0 -6.04482292102535 2879872 CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)CC(C3=O)SC4=CC=CC=C4C(=O)O 1 4.071 1 6 0 -9.80290463515574 2879857 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)CCC3=CC4=C(C=C3)OCO4 1 3.523 1 4 -4.14692043793543 2879841 CC1=C(C(=CC=C1)C)OCC(CN2C3=CC=CC=C3C4=CC=CC=C42)O 1 5.623 1 2 3.51182521918826 2879834 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC(=C5)C6=NC7=CC=CC=C7O6 1 3.922 3 4 0 7.41858464917474 2879807 CCC(CO)NC=C1C(=O)CC(CC1=O)C2=CC=CC=C2 1 1.357 1 3 0 -8.78413393164366 2879771 CCN(CC)CC(C(=O)N(CC)CC)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 4.335 2 2 -9.7106931645538 2879764 C1C(C2=C(C3=CC=CC=C3C=C2)NC1=O)C4=CSC=C4 1 3.13 1 1 -2.44839244307625 2879747 CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)OC)C(=O)C(=CC4=CC=CO4)S2)C 1 3.831 2 5 0 -26.9167093644192 2879720 CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3 1 2.735 2 2 -5.77412807130403 2879719 C1COCCN1C2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-] 1 2.235 3 4 0 -9.27012976567349 2879715 C1C(C(=O)N(C1=O)CCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4 1 3.037 1 4 -4.68020791810474 2879689 CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)CS2)C4=CC=CC=C4 1 3.757 2 5 0 -25.7345382635272 2879670 C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)Br)C5=CC=CC=N5 1 3.812 3 3 -5.07399013446268 2879664 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O 1 2.069 2 5 0 -4.45940072689833 2879633 CC1=CC=C(C=C1)P(=O)(CSC(=N)N)C2=CC=C(C=C2)C.Cl Cl- 1 4.598 2 1 -2.82461473014633 2879630 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C=C4OC)OC)OC)C(=O)C1)C 1 3.789 2 4 -30.098923090371 2879611 CS(=O)(=O)N(CC(CN1C2=CC=CC=C2C3=CC=CC=C31)O)C4=CC=CC=C4 1 3.784 2 3 -2.08087101610717 2879603 CC(C)C1=C(N=C(NC1=O)SCCN(C)C)O.Cl Cl- 1 2.186 3 2 -11.8575565120082 2879601 COC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 2.962 2 5 0 -5.4584312456292 2879598 C1C[N+](=C2N1C(=CS2)C3=CC=CS3)CC(=O)C4=CC=C(C=C4)Br.[Br-] Br- 1 3.889 2 1 -5.52214132991468 2879592 CC1=CC=CC=C1OCC(CN2CCN(CC2)CC(COC3=CC=CC=C3C)O)O 1 3.492 2 4 -3.58367092774243 2879544 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)C(=O)OC)C(=O)C1)C 1 3.693 2 3 -29.3058555077903 2879555 CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCC3CCCO3 1 0.794 3 4 0 -10.4184862472091 2879589 CCSC1(C2(C=C(NC(C2(C(=N1)N)C#N)C3=CC=CC=C3)C)C#N)SCC 1 3.182 5 0 -3.60623832485384 2879580 COC1=CC=C(C=C1)CC(=O)N2C(CC(=N2)C3=CC=NC=C3)(C(F)(F)F)O 1 2.317 3 3 0.358462028908131 2879574 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=CC=CC=C4S3 1 3.676 2 3 1.18149717887473 2879561 CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C 1 6.185 3 3 -11.616888864972 2879518 COC1=CC=CC(=C1)C2C=C(C(=O)N2C3=CC=CC=C3)NC4=CC=CC=C4 1 4.208 2 2 -1.88823962742722 2879517 CC1=CC=C(C=C1)C2C3=C(C(=O)N2C4=CC=CC=C4)NCCN=C3C5=CC=CC=C5 1 4.3 3 1 -12.3476540904411 2879510 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3N2 1 2.087 3 4 0 -24.3594815055097 2879477 CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)CCC3=CC(=C(C=C3)OC)OC 1 3.722 1 4 -7.16654714062703 2879455 CC1=C(C(NC(=O)N1)C2=CC=CC=C2F)C(=O)NC3=CC=CC=C3OC 1 2.183 3 3 -32.1811861687481 2879448 CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)Cl)C(=O)OC 1 3.553 2 2 -14.9748774301232 2879421 C1=CC=C(C=C1)C2=C[N+]3=C(N2CC(=O)C4=CC=CC=C4)SC=C3.[Br-] Br- 1 3.94 2 1 -3.99679700467721 2879414 CC1=CC=C(O1)C2C(=C(N=C3N2C(=O)CS3)C)C(=O)NC4=CC=CC=C4 1 2.57 3 3 -26.1447396235714 2879394 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CCC(=O)O 1 2.58 2 4 -12.4426803644779 2879393 CC1=CC(=NC(=N1)N=C(N)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C 1 2.805 5 1 -3.38315489996793 2879388 COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)CC3=CC=CC=C3)OC 1 3.236 1 4 -7.69983462079634 2879387 C1C(C(=O)N(C1=O)CC2=CC=CC=C2)SC3=C(C=CC=N3)C(=O)O 1 2.092 2 4 -6.1825969109709 2879379 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)NN=CC4=CC=CC=C4C#N 1 5.202 5 0 8.02740027250026 2879378 C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC3=C(C=CC=N3)C(=O)O 1 2.086 2 4 -4.40513193942121 2879376 CC1CC(N(C2=CC=CC=C12)C(=O)CN3C(=O)CCC3=O)(C)C 1 1.621 2 3 0 -10.6925343191849 2879361 CCON/C=C/1\C(=O)CC(C(C1=O)C(=O)OC)(C)C 1 0.124 1 5 0 -6.58903230335006 2879342 CCC(C(=O)O)P(=O)(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl 1 5.219 0 3 -4.27552996720827 2879284 CC1(C(CCC1(C)C(=O)O)C(=O)NC2=CC(=CC=C2)F)C 1 2.885 1 3 -0.571428906466025 2879269 CC1=CC=CC=C1NC(=O)C2=C(NC(=O)NC2C3=CC(=CC=C3)OC)C 1 2.464 3 3 -30.5241641960143 2879267 CC1=C(C(N2C(=O)CSC2=N1)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 1 3.136 3 2 -26.4563091070533 2879253 COC1=CC=C(C=C1)C2CC(=CC(=O)C2)C3=CC=C(C=C3)OC 1 4.021 0 3 -3.76589940148804 2879246 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=NC2=NC(=CC(=N2)C)C)N 1 2.265 6 2 0 -6.19683105564424 2879228 CCN(CC)CCSC1=NC(=C(C(=O)N1)C2=CC=CC=C2)O.Cl Cl- 1 3.208 3 2 -10.4788766665414 2879220 CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)[N+](=O)[O-] 1 3.078 2 6 0 -1.51713546777163 2879203 COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)N=C(S3)N 1 2.144 3 4 0 -22.3331750096423 2879195 CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C 1 2.21 4 3 0 -13.8446465543534 2879185 CCC(C)NC=C1C(=O)CC(CC1=O)C2=CC=CC=C2 1 2.245 1 2 -11.4471754516797 2879183 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=C(C(=C(C=C4)OC)OC)OC)C(=O)C1)C 1 3.789 2 4 -26.2912741661185 2879165 CCCN(CCC)CCSC1=NC(=C(C(=O)N1)C(C)C)O.Cl Cl- 1 3.931 3 2 -13.6228362210459 2879148 C1C(C2=C(C3=CC=CC=C3C=C2)NC1=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 4.026 2 3 -2.80095314177367 2879147 CC1=CC=CC=C1P(=O)(CO)C2=CC=CC=C2C 1 3.816 0 2 -0.72473107005311 2879132 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CCC(=O)O 1 2.786 2 4 -11.2784496547524 2879123 CC1=CSC(=C1NN=C(C)C2=C(C=C(C=C2)F)F)C(=O)OC 1 4.135 2 2 -2.71003288195026 2879109 CCCC1=C(N(C(=NC1=O)SCCN(CC)CC)C(=O)C2=CC=CC=C2)O.Cl Cl- 1 4.743 3 3 -9.77192852002566 2879094 C1CCN(C1)C2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-] 1 3.009 3 3 -7.32657512879264 2879073 CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=O)C 1 4.13 1 3 -11.5581217600357 2879069 CCC(=O)N(CC)C1=C(C2=CC=CC=C2C(=O)C1=O)O 1 1.256 1 4 0 -4.4477301539627 2879066 COC1=C(C(=CC=C1)OC)C(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC 1 2.561 1 7 0 -15.6149554438073 2879063 CC1=NNC(=O)C1CCC(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 0.555 5 4 0 -20.754797268438 2879049 C1CSC2=[N+]1C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-].[Br-] Br- 1 3.325 2 2 -1.72010167294496 2879035 CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC(=CC=C4)OC(=O)C 1 3.123 2 4 -28.9168689339977 2879028 CC1=C(C(NC(=O)N1)C2=C(C(=CC=C2)OC)OC)C(=O)NC3=CC=CC=C3OC 1 1.945 3 5 0 -33.6433224546435 2879000 CC1(C(CCC1(C)C(=O)O)C(=O)NC2=CC=CC=C2O)C 1 2.438 1 4 1.13387808055021 2878943 COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)OC 1 2.564 2 5 0 -12.8166456224352 2878917 COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NCC3=CC=CC=N3 1 2.221 3 4 0 -21.6368161709213 2878871 CC1=CC=C(O1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=CC=C4)S3)C)C(=O)NC5=CC=CC=C5 1 4.467 3 3 -26.4839884084961 2878825 CC(=O)OC1=C(C=C(C=C1OC)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2)OC 1 3.573 2 5 0 -28.7414973087387 2878824 C1C[N+](=C2N1C(=CS2)C3=CC=CS3)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5.[Br-] Br- 1 4.659 2 1 -2.82197809992715 2878814 CC1=C(N=CC=C1)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2 1 2.937 2 4 -8.97679388968021 2878813 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=NN3 1 1.855 4 2 0 -2.51084210498853 2878808 CC1(CC(CC(N1)(C)C)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C 1 3.146 4 2 -15.2811328107402 2878805 CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC=C(C=C4)OCC(=O)O)S2)C 1 3.917 2 6 0 -33.2448920430004 2878783 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 1.267 4 5 0 -31.639707507381 2878777 CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2)OC(=O)C 1 3.938 2 4 -30.7095197383546 2878774 C1=CC=C(C=C1)C(C(=O)O)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.971 1 4 -6.39535247095022 2878770 COC1=CC=C(C=C1)C2=CC(=O)CC(C2)C3=CC=CC=C3 1 4.037 0 2 -3.39193414353072 2878765 CC1=CC(=C(C=C1)O)NC(=O)C2=CC=CO2 1 2.254 1 3 9.82198926628058e-002 2878759 CC1=CC2=C(C=C1)C(=C(S2)C(=O)NCC3CCCO3)Cl 1 3.7 1 2 -5.76036662754412 2878744 C1CCCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-] 1 3.921 3 3 -7.68104364296072 2878735 CC1=C(C(N2C(=O)CSC2=N1)C3=CC=C(C=C3)OC)C(=O)NC4=CC=CC=C4 1 3.119 3 3 -26.123890169889 2878727 CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)CS2)C5=CC=CC=C5 1 3.558 2 5 0 -23.4428830750463 2878726 C1COCCN1C2=CC=C(C=C2)NC3CC(=O)N(C3=O)C4=CC=CC=C4F 1 2.39 3 3 -7.22715739065023 2878699 CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 1 4.128 1 5 -7.7742851782963 2878695 CC1=C(C(NC(=O)N1)C2=CC=CS2)C(=O)NC3=CC=CC=C3OC 1 1.824 3 3 0 -32.8076343645581 2878684 CC(=O)NN1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC4=C(C=C3)C(=O)N(C4=O)NC(=O)C 1 -0.207 4 7 0 -5.01149843930267 2878682 C1CC(OC1)C2CC(=O)N(C2=O)C3=CC(=CC=C3)Cl 1 1.924 1 3 0 -1.07188212035904 2878678 COC(=O)CN1C(C2=C(C=CC(=C2)Br)NC1=O)C3=CC=CC=C3Cl 1 3.637 2 3 -10.2532363626795 2878670 CC1=CC(=NC(=N1)NC(=NC(C)C2=CC=CC=C2)N)C 1 2.269 5 0 -5.28849602136778 2878669 C1=CC=C(C=C1)C(=O)CC2C(=O)NC3=CC=CC=C3N2 1 2.084 2 2 -14.6050690662288 2878634 CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)C3CC(=C(CC3C2=O)C)C 1 3.526 1 4 -7.33362649585361 2878630 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2C(=O)N=C(S2)N 1 1.742 3 4 0 -19.2534158522917 2878628 CC1(C(CCC1(C)C(=O)O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C 1 1.385 2 5 0 -8.03283060593638 2878615 CCOC1=CC2=C(C=C1)N(C(=N2)SCC(=O)C3=CC=C(S3)Br)C.Br Br- 1 4.744 2 2 -6.58216129203732 2878608 CCN(CC)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C3=CC=CC=C3.Cl Cl- 1 4.991 3 2 -8.38012327569348 2878586 CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC=C(C=C4)OCC(=O)O)S2)C 1 4.582 2 6 0 -30.9705396681534 2878572 CC(C1CC(=O)N(C1=O)CCC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3 1 3.488 1 4 -8.0295360113566 2878542 CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.425 1 8 0 -15.1465489169416 2878491 C1CN(CCN1CC2CC3CC2C=C3)C(=O)C4=CC=CC=C4F 1 2.826 2 1 2.76455329941179 2878432 CCN1C=C(C(=O)C2=CC(=C(C=C21)NN=CC3=CC=CC=C3[N+](=O)[O-])F)C(=O)O 1 3.224 4 5 0 -0.358143166918774 2878406 CN1C(=O)C(=CC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)N(C1=O)C 1 1.02 4 6 0 -9.98818415863877 2878396 CC1C(=O)N=C(S1)NN=CC2=CC=CS2 1 2.388 3 1 -6.62520725379923 2878381 CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.425 1 8 0 -13.9569972432008 2878343 CC1C(=O)N=C(S1)NN=C(C)C2=CC=CO2 1 1.81 3 2 0 -5.12353108725879 2878334 C/C(=C\1/C(N(C(=O)C1=O)CCO)C2=CC=C(C=C2)[N+](=O)[O-])/NC3=CC=C(C=C3)OC 1 2.107 3 6 0 -7.68578009191022 2878326 CC1=C(C=C(O1)C=NNC(=O)C(C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C)Br 1 2.409 3 5 0 -5.63305931310822 2878297 CC1CC(C(C1(C#N)C#N)(C#N)C#N)N(C(=O)C)N(C)C 1 -0.431 6 1 0 -4.39310710572 2878280 COC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)OC)NC3=CC=C(C=C3)[N+](=O)[O-] 1 4.616 2 5 0 -7.1121170627178 2878225 CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC=C(C=C2)F 1 2.736 0 6 -11.1507224303784 2878169 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NCC3CCCO3 1 2.761 2 4 -16.5782364471611 2878123 CC(C1=CC=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 2.131 2 3 -15.9652738430248 2878122 COC1=CC(=CC(=C1OC)OC)C=NNC2=NC3=CC=CC=C3O2 1 2.829 3 4 0 -1.12204835692676 2878114 CCOC(=O)C1=CC=C(C=C1)NC2=CC(=O)CC(C2)C3=CC=CO3 1 2.918 1 4 -16.8154432263288 2878113 CC1=CC(=NC=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O 1 1.857 3 3 0 -11.2873421685752 2878100 CC(COC)NC(=O)C1=CC(=CC=C1)Cl 1 1.949 1 2 0 -8.87759500226472 2878092 CC(COC)NC(=O)C1=CC(=CC(=C1)OC)OC 1 1.251 1 4 0 -14.0401299676336 2878090 CCOC(=O)C(CC1=CC=CC=C1)C(=O)NC2=NC=CS2 1 2.283 2 3 -7.7861806563729 2878082 CN1C2=CC=CC=CC2=[N+]([C@]13C=CC(=[N+]([O-])[O-])C=C3[N+](=O)[O-])C 1 1.995 4 4 0 -3.63475224713921 2878074 CC1=NN(C(C1)(C2=CN=CC=C2)O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 1.131 4 4 0 -9.02407019078916 2878024 CC1=CC(=NC(=N1)NN=CC2=CC=C(C=C2)N3CCOCC3)C 1 1.969 5 1 0 -4.53388198439992 2878008 CCN1CC2(CC=C(C(C2)(C1)[N+](=O)[O-])Cl)[N+](=O)[O-] 1 1.515 3 4 0 -0.378696062755428 2878002 COC1=C(C=CC(=C1)C(C#N)N2CCCCC2)O 1 2.428 2 2 -0.130542812171145 2877988 COC1=CC(=CC(=C1OC)OC)C=NNC2=NC3=CC=CC=C3N2 1 2.819 4 3 0 0.613367710438722 2877975 C1C(CC(=O)C=C1NC2=CC=C(C=C2)O)C3=CC=CO3 1 2.472 1 3 -9.60593596502628 2877970 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NCC4=CC=CC=N4 1 3.773 2 2 -4.73954954680378 2877954 C1CCC2C(=NN(C2(C(F)(F)F)O)C(=O)C3=CN=CC=C3)CC1 1 2.295 3 2 -6.55143305142965 2877943 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC3=CC=CC=C3F 1 3.763 1 1 -5.482715180164 2877940 CC1=CC(=CC(=C1N(C2=CC=CC=C2)C(=O)C)C)OC 1 3.688 1 2 -3.01056637833615 2877914 C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl 1 5.648 3 1 2.58886812932049 2877903 CCOC(=O)C(C1CCCCC1)C(=O)NC2=NC=CS2 1 2.5 2 3 -9.23025828707103 2877899 COC1=C(C=C(C=C1)C(=O)NCCC2=CC=C(C=C2)F)OC 1 3.115 1 3 -10.4644731995665 2877893 CC1=CC(=O)C(=C(O1)O)C(C2=CC=C(C=C2)OC)C3=C(OC(=CC3=O)C)O 1 2.843 0 7 0 -4.29637102940161 2877883 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NCC4=CC5=C(C=C4)OCO5 1 4.477 1 4 -5.70343504111269 2877875 CSC1=CC=CC(=C1)NC(=O)C2=CC=CO2 1 2.551 1 2 -1.13370136951236 2877858 CC1=NN(C(C1)(C2=CN=CC=C2)O)C(=O)CC3=CC=CC=C3 1 1.236 3 2 0 -7.8418815347363 2877854 C1=CC=C(C(=C1)C=NNC2=NC3=CC=CC=C3O2)F 1 3.084 3 1 3.66685102853317 2877850 CC(C1=CC=CC=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O 1 2.367 2 3 -14.3649116869541 2877849 CN1CC2(CC=C(C(C2)(C1)[N+](=O)[O-])Cl)[N+](=O)[O-] 1 1.166 3 4 0 0.287080773524324 2877846 C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O 1 2.255 1 6 0 -14.9039681550143 2877843 CCCC1=NC2=C(C=C(C=C2C(=C1CC)N)C)C 1 4.59 2 0 1.76521109129159 2877837 CCOC1=C(C=C(C=C1)C(=O)C)CC(C(=O)N)C(=O)N 1 0.373 2 4 0 -5.59078934843973 2877835 CCOC1=C(C=C(C=C1)C(=O)C)CSC(=N)N.Cl Cl- 1 2.079 2 2 -7.47399902543286 2877830 CN(C)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.Cl Cl- 1 3.279 1 2 -3.35279956614695 2877829 C1CCC(C1)(CNC(=S)NC2=CC=CC=C2)C3=CC=CC=C3 1 5.55 2 0 -15.9655097858407 2877824 CC(C1COC2=CC=CC=C2O1)NC(=S)NC3=CC=CC=C3 1 4.352 2 2 -10.3227302272551 2877823 C1C(OC2=CC=CC=C2O1)CNC(=S)NCC3=CC=CC=C3 1 3.704 2 2 -8.63663568103536 2877822 C1C(OC2=CC=CC=C2O1)CNC(=S)NC3=CC=CC=C3 1 3.975 2 2 -7.98292171997469 2877817 CC(C1COC2=CC=CC=C2O1)NC(=O)CC3=CC=CC=C3 1 2.913 1 3 -10.8076559455886 2877810 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=NC=C3 1 1.236 2 3 0 -2.64263971159469 2877805 CC(=O)C1(CCC2C1(CCC3C2CC(=C)C4=CC(=O)CCC34C)C)O 1 3.18 0 3 -11.9157916699733 2877800 CC(=O)N(CCC(C1CCOC(C1)(C)C)C2=CC=CC=C2)CC3=CC=C(C=C3)OC 1 4.277 1 3 -10.140537353116 2877796 CC1(CC2=NN(C(C2CO1)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)OC)C 1 3.022 2 3 -9.48035049289162 2877791 CC1=CC=C(C=C1)C2(CCOC(C2)(C)C)CC(=O)O 1 2.705 0 3 -14.1082590826367 2877775 CC1(CC(CCO1)C(CCNCC2=CC=C(C=C2)OC)C3=CC=CC=C3)C 1 4.482 1 2 -5.6164406080984 2877769 CC1(CC(CCO1)N(CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3)C 1 3.286 1 2 -8.4991397030381 2877767 CCC(=O)N1C(C2COC(CC2=N1)(C)C)C3=CC=CC=C3 1 2.041 2 2 -11.0285943782544 2877764 CC1(CC(CCO1)(CC(=O)O)C2=CC=CC=C2)C 1 2.218 0 3 -15.2184291922829 2877755 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC=C(C=C3)F 1 2.252 2 3 -2.21255406243888 2877744 CC1=C(SC(=N1)C)C2=CSC(=N2)NC3=CC=C(C=C3)NC(=O)C 1 2.097 4 1 3.83593336729154 2877741 CCCCNC1=C(C(=O)N(C2=CC=CC=C21)C)[N+](=O)[O-] 1 1.764 3 3 0 -8.09461514069496 2877735 CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NC4=CC=CC=C4OC.Br Br- 1 2.737 5 1 3.92392250900168 2877731 CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC4=C(C=C3)OCO4)Cl 1 2.982 2 4 -4.16663940526171 2877730 COC1=C(C=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)OC.Br Br- 1 2.359 3 4 0 -0.743379069505916 2877718 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC=C(C=C3)F 1 2.601 2 3 -2.97877721414691 2877714 CC1=C(SC(=N1)N)C2=CSC(=N2)NC3=NC=CC=N3 1 1.253 6 0 0 8.78399486846794 2877708 CCN1C(=O)CC(C1=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.941 3 2 -4.426271025046 2877704 COC1=CC(=CC(=C1)C(=O)NN2CCCCC2)OC 1 1.636 2 3 0 -8.72489158300072 2877702 CON=C(C1=NON=C1N)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 0.899 7 4 0 -6.15745326286104 2877691 C1CC2=C(C1)SC3=NC=NC(=C23)NC4=CC=NC=C4.Cl Cl- 1 2.977 4 0 -3.92454124318327 2877681 CC1=C(C=C(C=C1)NC2=C(C(=O)N(C3=CC=CC=C32)C)[N+](=O)[O-])C 1 3.262 3 3 -3.57517234425263 2877676 C1CN(CCN1C2CC(=O)NC2=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.386 3 2 -8.80365416738035 2877674 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=CC=CC(=C3)C4=CN5C=CC=CC5=N4 1 3.332 3 3 -8.67070303993331 2877673 CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)OC)Br)F 1 4.673 2 3 -7.50372067403131 2877667 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CCNC=C4C(=O)CC(CC4=O)(C)C 1 1.817 4 5 0 -7.69922842458679 2877666 CN1C(=O)CC(SC1=NC2=CC=C(C=C2)OC)C(=O)O 1 1.936 2 4 0 -4.61125506095694 2877664 CN(CCC1=CC(=C(C=C1)OC)OC)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC 1 2.871 2 5 0 -5.29979970954745 2877661 CN1C(=O)CC(SC1=NC2=CC(=C(C(=C2)Cl)O)Cl)C(=O)O 1 3.04 2 4 -2.37252565300685 2877659 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC=NC=C3 1 0.896 3 3 0 -3.44843553868016 2877654 C1=CC=C(C=C1)N2C(=NNC2=S)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 4.04 4 2 -4.42872856749038 2877644 C1CN(CCN1C2=CC=CC=C2)C3=NC=NC4=C3OC5=CC=CC=C54 1 3.693 4 1 9.37347086271443 2877640 CC1=C(SC(=N1)C)C2=CSC(=N2)NC3=CC=C(C=C3)N.Br Br- 1 2.23 4 0 9.52098823151182 2877634 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC=CC=C4 1 2.761 3 4 0 1.2467156114689 2877625 CC(=O)C1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=CC=C3.Br Br- 1 3.426 2 1 4.81893417563432 2877609 CCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC(=CC=C3)O)C.Br Br- 1 2.803 4 2 6.41218351625985 2877597 CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NC4=CC=C(C=C4)OC.Br Br- 1 2.737 5 1 5.12071985359515 2877589 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)[N+](=O)[O-] 1 2.371 4 7 0 -18.9926367377561 2877579 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.422 3 5 0 -12.4475274361651 2877576 CCOC(=O)C1=CC2=C(C=C1)N=C(C3=C2OC(C3)C)C 1 2.938 1 3 -4.48694221563976 2877574 CCOC(=O)C1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC 1 1.896 2 6 0 -4.77197117324966 2877562 CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCCC3 1 2.599 4 3 0 -8.48756327327654 2877556 CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C)F 1 2.146 2 3 -2.23583729479162 2877555 CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCCC3=CC=CC=C3 1 2.34 3 3 -6.31882507699156 2877552 CC1(CC(=O)C(=CNCCN2CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=CC=C4)Br)C(=O)C1)C 1 1.709 4 4 0 -4.75395106965671 2877526 CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NC4=CC=C(C=C4)N(C)C.Br Br- 1 2.915 6 0 2.87239968412664 2877522 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCOCC3 1 0.908 2 5 0 -4.09064838926038 2877509 CC1(CC(=O)C(=CNCCN2CCN(CC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)F)C(=O)C1)C 1 1.166 4 4 0 -6.2631508222826 2877508 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCC(=O)NCC4=CC=CO4 1 1.844 2 4 0 -13.8250550316636 2877505 COC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)O.Br Br- 1 3.428 2 2 10.3546516965778 2877498 CN1C(=O)CC(C1=O)N2CCN(CC2)CC(=O)N3CCCC3 1 -0.877 4 3 0 -4.77929684436964 2877496 CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NC4=CC=C(C=C4)S(=O)(=O)N.Br Br- 1 1.458 6 2 0 -0.548160034014339 2877493 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC4=CC=CC=C4N=C3 1 2.573 2 3 0.641569434930882 2877490 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC=NC=C3 1 1.769 3 3 0 -3.75966990637497 2877445 CC1=CC(=NC=C1)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC 1 3.528 3 2 5.74344288937331 2877438 CC1=CC(=NC=C1)NC2=NC(=CS2)C3=CC=C(C=C3)Cl.Br Br- 1 4.226 3 0 11.2545562515169 2877426 CN(CCC1=CC(=C(C=C1)OC)OC)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC 1 2.743 2 6 0 -8.87923650738165 2877411 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4Cl 1 3.309 3 2 7.2915309995188 2877407 CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N(C)CC3=CC=CC=C3 1 2.803 2 4 -6.91830929726551 2877405 CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCOCC3 1 2.15 4 5 0 -6.77713675645847 2877404 C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C(=O)O.Br Br- 1 3.316 2 2 5.12922335700755 2877385 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.946 3 5 0 -11.9925386521519 2877382 C1CN(CCN1CC2=CC=CC=C2)CC(C3=CC=C(C=C3)[N+](=O)[O-])O 1 2.828 3 3 0.403533431085166 2877361 C1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F)[N+](=O)[O-])F 1 4.258 4 3 0 -5.34802474673831 2877352 CN1C(=O)CC(C1=O)N2CCN(CC2)C(=O)C3=CC=CC=C3 1 0.32 3 3 0 -3.34606335207951 2877351 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC=NN2 1 1.823 4 3 0 -10.5408563572432 2877348 C1CN(CCC1C(=O)N)C2CC(=O)NC2=O 1 -1.293 3 3 0 -5.78209601984626 2877341 CC1CCN(CC1)C2=C(C=C(C(=C2)C)[N+](=O)[O-])F 1 3.747 2 2 -6.01763687774607 2877335 CN1C(=O)CC(C1=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.592 3 2 -3.68285372890203 2877325 C1=CC=C(C=C1)SC2=NC=NC3=C2OC4=CC=CC=C43 1 4.64 2 1 5.67048971341469 2877321 CC1=CC(=NC=C1)NC2=NC(=CS2)C3=C(N=C(S3)C)C.Br Br- 1 2.851 4 0 9.17949753117399 2877316 C1CN(CCC1C(=O)N)C2CC(=O)N(C2=O)CCC3=CC=CC=C3 1 0.818 3 3 0 -1.39522608926766 2877313 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CN=CC=C3 1 1.236 2 3 0 -2.91948773292501 2877282 COC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N.Br Br- 1 2.375 3 3 2.39293148868504 2877277 CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)NC3=CC=C(C=C3)O.Br Br- 1 2.136 4 2 6.12496885262648 2877257 CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)NC3=CC=C(C=C3)OC.Br Br- 1 2.362 4 2 3.83212853234319 2877248 CC1=C(SC(=N1)C)C2=CSC(=N2)NC3=CC(=CC=C3)O.Br Br- 1 2.735 3 1 11.7474844451748 2877229 COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)N3CCC(CC3)C(=O)N)OC 1 0.785 3 5 0 -4.99149212200124 2877219 CN1C(=O)CC(SC1=NC2=CC=C(C=C2)F)C(=O)O 1 2.158 2 3 -3.48641182634755 2877208 C1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)F)[N+](=O)[O-])F 1 4.258 4 3 0 -5.04728482666094 2877200 CC1=NC2=C(C=C(C=C2)OC)C3=C1CC(O3)C(C)(Cl)Br 1 3.628 1 2 3.24051775809166 2877172 CC1=CC(=NC=C1)NC2=NC(=CS2)C3=CC=CC=C3.Br Br- 1 3.561 3 0 8.95804114461484 2877164 C1C(C(=O)N(C1=O)C2=CC=CC=C2)NCC3=CC=NC=C3 1 0.913 3 2 0 -3.29677252467825 2877140 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=C4 1 3.131 3 2 8.09183411854659 2877135 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.811 3 4 0 7.31471120067766 2877134 CC1CC2=C(O1)C3=C(C(=CC=C3)OC)N=C2C 1 2.718 1 2 -0.383253895388525 2877133 CC1CC2=C(O1)C3=C(C=CC(=C3)OC)N=C2C 1 2.718 1 2 1.58905185711082 2877125 CC1(CC(=O)C(=CNCCN2CCN(CC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Br)C(=O)C1)C 1 1.709 4 4 0 -6.60968890226247 2877115 C1C(C(=O)N(C1=O)C2=CC=CC=C2)NCC3=CC=C(C=C3)F 1 2.269 2 2 -2.06089104843698 2877111 CN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=CS3)O 1 1.793 1 3 0 -7.17789353854029 2877107 CC1=NC2=CC=CC=C2N1CC(COC3CCCCC3)O 1 3.028 2 2 4.74226112875576 2877099 CCCC(=O)NC(C1=CC=CO1)C2=C(C=CC3=CC=CC=C32)O 1 3.647 1 3 -13.1967109589109 2877098 C1=CC=C(C=C1)CC(=O)NC(C2=CC=CO2)C3=C(C=CC4=CC=CC=C43)O 1 4.223 1 3 -7.375827359202 2877094 CCCC(=O)NC(C1=CC=CC=C1Cl)C2=C(C=CC3=CC=CC=C32)O 1 5.023 1 2 -11.6198226199999 2877078 CC(=NNC(=O)CC1=CC=CC2=CC=CC=C21)CC(=O)NC3=CC=CC=N3 1 2.287 4 2 -5.03922883354408 2877076 COC(=O)C1=CN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)F 1 3.838 1 3 -0.923249951269506 2877075 CCCC(=O)NC(C1=CC=C(C=C1)N(C)C)C2=C(C3=C(C=CC=N3)C=C2)O 1 3.799 3 2 -12.2735243857181 2877073 CCC(=O)NC(C1=CC=C(C=C1)N(C)C)C2=C(C=CC3=CC=CC=C32)O 1 4.065 2 2 -5.84960790406684 2877063 CCC(=O)NC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C=CC3=CC=CC=C32)O 1 3.797 2 4 -5.28271931281142 2877061 COC1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)[N+](=O)[O-] 1 5.297 2 4 -4.46379942991343 2877055 CC1=CC(=C(C=C1)C(C)C)OCCN.Cl Cl- 1 2.665 1 1 0.767124025245718 2877049 CCC(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(C=CC3=CC=CC=C32)O 1 3.797 2 4 -6.63420514237724 2877039 CC(C1=CC=C(C=C1)OC)NC(=O)CCC2=CC=CC=C2 1 3.473 1 2 -12.8929056832175 2877030 C1CC(OC1)CNC(=S)NC2=CC(=CC=C2)Cl 1 3.535 2 1 -9.0134182514511 2877012 CCCC(=O)NC(C1=CC=C(C=C1)OC)C2=C(C=CC3=CC=CC=C32)O 1 4.342 1 3 -11.1576436458555 2877010 CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NC2=CC=C(C=C2)OC 1 6.6e-002 5 3 0 -12.1031576811015 2877001 CC1=NC2=CC=CC=C2N1CC(COCC3CCC=CC3)O 1 2.914 2 2 6.00708084923591 2876995 CC1=CC=CC=C1OCCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.107 1 5 -9.77862495231348 2876988 CC(=NN=C(N)SCC1=CC=CC=C1)C(C)(C)C.Cl Cl- 1 3.711 3 0 -4.47735408509244 2876972 CC(=O)OC1=C(C2=CC=CC=C2C=C1)C(C3=CC=CC=C3)NC(=O)CC4=CC=CC=C4 1 4.944 1 3 -9.98581754838414 2876971 CC1=CC=C(C=C1)NC(CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F 1 5.446 1 1 -3.86220466604298 2876965 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=CC=C3)F 1 2.595 1 3 -7.94085616378729 2876963 CC(C)C(=O)NC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C=CC3=CC=CC=C32)O 1 4.259 2 4 -8.19187388639011 2876962 CC(C)(C)CC(C)(C)NC(=O)CSCC(=O)NC1=CC2=CC=CC=C2C=C1 1 3.769 2 2 -13.2177856483678 2876959 CC(C)C(=O)NC(C1=C(C2=C(C=CC=N2)C=C1)O)C3=CC=CO3 1 2.931 2 3 -7.88058108045836 2876957 CC1=CC2=C(C=C1C)N(C=N2)CC(COC3CCCCC3)O 1 3.74 2 2 1.12445658681868 2876948 CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4)C 1 5.959 4 2 -6.72100799991317 2876938 CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.591 6 5 0 -3.23893702306414 2876934 CCOC1=CC(=C(C=C1)NC(=O)COC2=CC=CC=C2)[N+](=O)[O-] 1 2.676 2 5 0 -8.29658203790019 2876926 CCCOP(=O)(C(C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)C(C)C)OCCC 1 5.569 2 5 0 -7.99787542716241 2876922 CC1=C(C=C(C=C1)OCCNC(=O)CCC2=CC=CC=C2)C 1 4.133 1 2 -12.292325740567 2876920 C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=NC=C3)F 1 2.2 3 1 6.45941960994539 2876915 CC(=O)NC(C1=C(C2=C(C=CC=N2)C=C1)O)C3=CC=CO3 1 1.802 2 3 0 -5.16466577922633 2876913 C1=CC=C(C=C1)C2=CC=CC=C2OCCN.Cl Cl- 1 2.503 1 1 1.4198949027014 2876910 C1=CC=C(C=C1)C(=O)NC(C2=CC=C(C=C2)Cl)C3=C(C=CC4=CC=CC=C43)O 1 5.564 1 2 -4.59987306815113 2876908 CCCCC(=O)NC(C1=CC(=C(C=C1)OC)OC)C2=C(C=CC3=CC=CC=C32)O 1 4.782 1 4 -12.9838684681121 2876902 C1=CC=C2C(=C1)N=CN2CC(COC3=CC=C(C=C3)C(=O)O)O 1 2.302 2 4 -3.97750927682403 2876901 C1CC(OC1)C(=O)NNC(=O)C2=CC=C(C=C2)F 1 0.745 2 3 0 -13.984234816102 2876875 CC1=NC2=CC=CC=C2N1CC(COC3=CC=CC=C3Cl)O 1 3.598 2 2 2.16427290766436 2876872 CCCC(=O)NC(C1=CC=C(C=C1)OC)C2=C(C3=C(C=CC=N3)C=C2)O 1 3.62 2 3 -10.0252042162495 2876866 CCOP(=O)(C(C1=CC(=CC=C1)O)NC2=CC(=CC(=C2)Cl)Cl)OCC 1 4.52 1 4 -3.12662944307033 2876862 C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)CC#N 1 1.596 5 3 0 -9.5400945009304 2876847 CCCOP(=O)(C(C1=CC=C(C=C1)C)NC2=CC=CC(=C2)C(F)(F)F)OCCC 1 5.909 1 3 -1.95909279420412 2876839 CC(C)C(=O)NC(C1=CC=C(C=C1)OC)C2=C(C3=C(C=CC=N3)C=C2)O 1 3.626 2 3 -5.378002878571 2876832 COP(=O)(C(C1=CC(=CC=C1)O)NC2=CC(=CC(=C2)Cl)Cl)OC 1 3.822 1 4 -1.35881319126646 2876830 C1=CC(=CC=C1CC(=O)ON=C(CC2=CC=C(C=C2)Cl)N)[N+](=O)[O-] 1 3.015 3 4 0 2.30400254384084 2876823 COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O)O 1 2.231 2 8 0 -6.74708706998212 2876806 CCCC(=O)NC(C1=CC(=C(C=C1)OC)OC)C2=C(C=CC3=CC=CC=C32)O 1 4.326 1 4 -14.4054550225975 2876800 CC(C)C(=O)NC(C1=CC=CO1)C2=C(C=CC3=CC=CC=C32)O 1 3.653 1 3 -8.54950962123239 2876795 CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)OCC 1 3.162 3 6 0 -15.5235484034958 2876783 CC(C)C(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(C=CC3=CC=CC=C32)O 1 4.259 2 4 -9.54335971595592 2876780 COCC(COCCCNC(=O)NC1=CC=C(C=C1)Br)OC 1 1.393 2 4 0 -11.2244930519157 2876776 CC(C)(C)C1(CC(=NN1C(=O)C2=CC=C(C=C2)Br)C(=O)OC)O 1 2.984 2 4 -4.05404700138548 2876774 CC(=O)NC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C=CC3=CC=CC=C32)O 1 3.13 2 4 -5.47595858515808 2876757 CC(C)C1=NC2=CC=CC=C2N1CC(COC3CCCCC3)O 1 4.158 2 2 0.615706687039621 2876756 C1CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC=CO5)C(=O)C1 1 4.073 2 3 -29.4675306191805 2876755 CC(C)C(=O)NC(C1=CC=C(C=C1)OC)C2=C(C=CC3=CC=CC=C32)O 1 4.348 1 3 -6.51044230817701 2876744 CCC(=O)NC(C1=CC=C(C=C1)C)C2=C(C3=C(C=CC=N3)C=C2)O 1 3.666 2 2 -2.05588209584817 2876731 CCCC(=O)NC(C1=C(C2=C(C=CC=N2)C=C1)O)C3=CC=CC=C3Cl 1 4.301 2 2 -11.3134215985326 2876718 C1=CC=C(C(=C1)C(=O)ON=C(CC2=CC=C(C=C2)[N+](=O)[O-])N)F 1 2.521 3 4 0 1.06491171035824 2876713 CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 1.689 5 2 0 -11.8076167255713 2876706 C1=CC=C(C=C1)COCC(CN2C=NC3=CC=CC=C32)O 1 2.493 2 2 -2.80963591900615 2876700 CC1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)Br)O 1 3.682 2 2 4.5244130829114 2876696 CC1=CC2=C(C=C1)NC3=C(C(N2)C4=CC=CS4)C(=O)CC(C3)(C)C 1 4.171 2 1 -24.6741264395243 2876688 CC1=CC=CC(=C1)C(=O)NCCN(C)C.Cl Cl- 1 1.663 2 1 0 -4.48587065949701 2876681 CCC(=O)NC(C1=CC=CC=C1Cl)C2=C(C=CC3=CC=CC=C32)O 1 4.567 1 2 -4.06346670874272 2876679 C1=CC=C(C=C1)CC2=CC=CC=C2OCCN.Cl Cl- 1 2.959 1 1 -0.680278989191472 2876668 CCCC(=O)NC(C1=CC=CC=C1)C2=C(C3=C(C=CC=N3)C=C2)O 1 3.636 2 2 -11.5253381390853 2876663 CCC(=O)NC(C1=CC=CC=C1)C2=C(C=CC3=CC=CC=C32)OC(=O)C 1 3.912 1 3 -8.1257267718 2876661 CCC(=O)NC(C1=CC=C(C=C1)OC)C2=C(C=CC3=CC=CC=C32)O 1 3.886 1 3 -3.60128773459833 2876651 C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3F 1 3.35 2 1 6.47368362206014 2876639 CC1C(NC(C(C1=O)C)C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5 1 3.234 1 5 -3.96244230920797 2876617 CC(C)C(=O)NC(C1=CC=CC=C1Cl)C2=C(C=CC3=CC=CC=C32)O 1 5.029 1 2 -6.97262128232141 2876614 CC(=O)NC(C1=CC(=C(C=C1)OC)OC)C2=C(C=CC3=CC=CC=C32)O 1 3.203 1 4 -7.0423383836869 2876611 CCCC(=O)NC(C1=CC=C(C=C1)Cl)C2=C(C3=C(C=CC=N3)C=C2)O 1 4.301 2 2 -7.79023931651858 2876610 CC(=NNC(=O)C1CCCCC1)CC(=O)NC2=CC(=CC=C2)OC 1 2.401 3 3 -5.69384183192013 2876608 C1=CC(=CC(=C1)Cl)NC(=S)NCCCN2C=CN=C2 1 2.98 4 0 -4.17706781604184 2876606 CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC4=CC=CC=C4N3C 1 5.374 3 1 -10.4826131079461 2876604 C1=CC=C(C=C1)C2=C(OC(=N2)SCC(=NO)N)C3=CC=CC=C3 1 3.488 3 2 7.7730820446305 2876601 CCC1=CC(=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C(=O)OCC 1 3.162 3 6 0 -12.3610693697247 2876596 CCCC(=O)NC(C1=C(C2=C(C=CC=N2)C=C1)O)C3=CC=CC=C3OC 1 3.62 2 3 -13.2686529513936 2876586 CC(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(C=CC3=CC=CC=C32)OC(=O)C 1 3.139 2 5 0 -9.41080147594409 2876582 CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5 1 6.003 3 2 -35.6213032384285 2876576 CC(C)C1=CC=C(C=C1)OCC(CN2C=NC3=CC=CC=C32)O 1 3.867 2 2 0.109328884394982 2876575 CCC(=O)NC(C1=C(C2=C(C=CC=N2)C=C1)O)C3=CC=CC=C3OC 1 3.164 2 3 -5.71229704013639 2876564 CC1=CC(=NC2=C1C3=CC=CC=C3C=C2)C4=CC(=CC=C4)[N+](=O)[O-].Cl Cl- 1 5.252 2 2 1.73294702443358 2876540 C1CC1C(=O)C2=COC3=C2C(=C(C=C3)O)CN4CCOCC4.Cl Cl- 1 2.15 1 4 0.157639846934251 2876522 CC1=C(C=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-] 1 0.804 4 5 0 -12.3693833737853 2876517 CC(C(C(=O)NC1=CC=CC=C1OC)NC(=O)OC(C)(C)C)OCC2=CC=CC=C2 1 3.533 2 5 0 -18.283343146116 2876514 CC1(CC2=C(C(=NC(=C2CO1)N3CCOCC3)SCC4=CC=CC=C4)C#N)C 1 4.072 3 2 -17.0513281576974 2876510 C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)SC4=CC=CC=C43)[N+](=O)[O-] 1 3.6 3 3 -3.74888490545 2876508 C1C(CC(=O)C2=C1N=C(S2)N)C3=CC=CC=C3 1 2.184 2 1 -3.19744284548276 2876499 CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] 1 4.395 6 4 0 -3.41355594367673 2876496 CC(C)OP(=O)(C(C1=CC=CC=C1)NCC2=CC=CC=C2)OC(C)C.Cl Cl- 1 3.917 1 3 -4.4676985068822 2876479 CCC1=NNC2=CC=CC3=C(C=CC1=C32)OC 1 3.158 2 1 -6.05619221557853 2876461 CC(=NC1=CC=C(C=C1)C(=O)C2=COC3=C2C=C(C=C3)OC)N(C)C 1 3.108 2 3 3.26855074318709 2876457 CC1=CC=CC=C1NCN2C(=O)C3C4CC(C3C2=O)C=C4 1 2.036 2 2 -2.7579704459252 2876431 COC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)OC)C(=O)OC 1 1.568 2 6 0 -25.6133201915032 2876426 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCN4C(=O)C5=CC=CC=C5C4=O 1 3.692 5 4 0 -14.885368919788 2876424 CN1C(C2C(O1)C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 2.008 2 3 -0.305508058311411 2876413 C1CCN(C1)C2=C(C(=O)SC3=CC=CC=C32)[N+](=O)[O-] 1 2.432 2 3 -6.37564127614464 2876405 C1CCC2=C(C1)C(=C(N(C2=S)C3=CC=CC=C3)N)C#N 1 4.03 3 0 -4.80527395310708 2876396 C1C(CN(C1C(=O)NC2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3)O 1 2.696 2 4 -5.02613475976066 2876379 CC1=C(C(=CC=C1)NC(=O)C2CCCN2C(=O)OC3=CC=CC=C3)C 1 4.004 2 3 -5.69619022376208 2876374 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.385 4 5 0 -11.1203326912673 2876373 CC1=C(OC(=C1)CN2CCCCC2)C(=O)O.Cl Cl- 1 -0.625 1 3 0 0.177385669501592 2876351 C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCN4C(=O)C5=CC=CC=C5C4=O 1 3.96 5 4 0 -18.7994808114101 2876347 CN1CCN(CC1)C(=O)CC23CC4CC(C2)CC(C4)C3 1 2.127 2 1 -3.22885182390513 2876336 CC1=CC2=C(C=C1C)N3C(=N2)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57 1 5.428 2 1 -5.33862806671878 2876329 CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC 1 3.178 1 4 -3.63781370558808 2876328 C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57 1 4.744 2 2 -2.50473233927243 2876326 C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-] 1 2.626 3 7 0 -12.091055103127 2876323 CN1CCC(=NNC(=O)C(=O)NC2CCCC2)CC1 1 0.27 4 2 0 -8.78270124957699 2876306 C1=CC=C(C(=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=N3)Cl)[N+](=O)[O-] 1 3.049 4 5 0 -10.1781502542911 2876301 C1=CC=C2C(=C1)NC(C(=O)N2)CC(=O)NC3=CC=CC=C3NC(=O)CC4C(=O)NC5=CC=CC=C5N4 1 1.1 6 4 0 -16.885461050437 2876270 C1CCN(CC1)C2=C(C(=O)SC3=CC=CC=C32)[N+](=O)[O-] 1 2.888 2 3 -6.73010979031272 2876269 CC1=C(C=CO1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.017 3 4 0 -3.21695487701174 2876268 C1C(NC(S1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)O 1 -1.436 2 5 0 -11.2806260856176 2876264 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=N3)Br 1 2.785 3 3 -16.0097946393894 2876252 C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C6=NC7=CC=CC=C7N6C4=O 1 4.455 2 1 -5.42807130971162 2876243 C1COCCN1C2=C(C(=O)SC3=CC=CC=C32)[N+](=O)[O-] 1 1.658 2 4 0 -8.31919591302549 2876237 C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC6=CC=CO6 1 2.988 1 3 -8.49128773755342 2876236 C1=CC=C(C(=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)Cl)[N+](=O)[O-] 1 3.291 3 7 0 -10.6241248884967 2876232 C1CCC(CC1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)C7CCCCC7 1 2.557 2 4 -5.52318879059866 2876230 COC(=O)CSC1=C(C(CC(=O)N1)C2=CSC=C2)C#N 1 1.414 2 3 0 -22.9277974869716 2876218 CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=CC=N2 1 1.156 3 4 0 -15.7822035631824 2876217 C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.807 2 5 0 -11.8838119648365 2876206 CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)N.Cl Cl- 1 2.587 2 1 -2.1562406064148 2876205 C1=CC=C2C(=C1)C(=C(C(=O)S2)[N+](=O)[O-])N 1 1.003 2 3 0 -5.35184707006664 2876195 CC1=CC=C(C=C1)NCN2C(=O)C3C4CC(C3C2=O)C=C4 1 2.036 2 2 -3.47049491978864 2876179 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCN4C(=O)C5=CC=CC=C5C4=O 1 3.985 5 2 0 -7.30411133851586 2876173 CCSC1=C(C(C2=C(N1)CCCC2=O)CC(C)C)C#N 1 3.323 2 1 -26.4033178607757 2876149 C1C2C=CC1C3C2C(=O)N(C3=O)CNC4=CC=CC=C4 1 1.55 2 2 0 -3.62714905816199 2876146 CN(C1=CC=CC=C1)C(=O)CCN2C(=O)C3C4CC(C3C2=O)C=C4 1 1.201 2 3 0 -9.47140668662865 2876145 COC1=CC=CC=C1N2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)C7=CC=CC=C7OC 1 1.961 2 6 0 -3.34750083936422 2876123 C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCN4C(=O)C5=CC=CC=C5C4=O 1 4.253 5 2 0 -11.2182232301379 2876122 CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC=CC=C3)C.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.385 2 2 -2.8940092515257 2876117 CC1=CC(=C(C=C1)C)NC(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)O 1 2.92 2 4 -6.53219054550584 2876107 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)NC3=CC=C(C=C3)Br 1 3.966 2 5 0 -11.3663843823554 2876103 COC1=CC=C(C=C1)NCN2C(=O)C3C4CC(C3C2=O)C=C4 1 1.533 2 3 0 -3.88346112893278 2876085 CCCOC1=CC=C(C=C1)C2=CN3C=CC=CC3=N2 1 3.373 2 1 0.628033137570595 2876068 CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)OC 1 2.37 2 4 -10.7050515820409 2876062 C1CCN(CC1)C(=O)CCN2C(=O)C3C4CC(C3C2=O)C=C4 1 0.541 2 3 0 -10.6676353236481 2876039 CCC(C(=O)O)SC1=CC=CC=C1C(=O)O 1 2.491 0 4 -9.38754951961496 2876026 CCC(C(=O)O)SC1=CC=C(C=C1)C(=O)O 1 2.491 0 4 -7.09117146524015 2876018 CCOC(=O)C1CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2S1 1 3.978 2 3 -12.2845081332514 2876017 CC1=CC(=NN1CC(COC2=CC=C(C=C2)Cl)O)C 1 2.693 2 2 -3.38776642333822 2876014 CC1=CC(=C(C=C1)NC(=O)C2CC(CN2C(=O)OC3=CC=CC=C3)O)C 1 2.914 2 4 -5.8316276717938 2876008 C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC=CC(=C3)C(=O)O 1 1.828 2 4 0 -12.2563992416346 2876004 CCN(CC)CCN1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35 1 3.059 2 2 -9.07752223623344 2875934 CC1=CC=C(O1)C2=[N+](C3(CCCCCC3=NNC(=O)N)N(C2(C)C)O)[O-] 1 1.026 5 4 0 -1.81027325377501 2875931 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)C=NNC4=NC=C(C=C4)[N+](=O)[O-] 1 4.382 5 2 0 -0.45512622893897 2875919 C1CC(OC1)C2CC(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl 1 2.588 1 3 -3.65003248962523 2875913 CC1=CC=C(O1)C2=[N+](C3(CCCCCC3=NO)N(C2(C)C)O)[O-] 1 1.874 3 4 0 6.40127864189274 2875886 CCOC(=O)C1=C(OC2=C(C1C3=CN=CC=C3)C4=CC=CC=C4C=C2)N 1 2.945 2 3 -7.67305762857459 2875884 CC1=CC=C(O1)C2=[N+](C3(CCCCCC3=NNC(=S)N)N(C2(C)C)O)[O-] 1 2.017 5 3 0 1.35094695272716 2875882 CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)O)C4=CC=CC=C4C=C2)N 1 3.853 1 4 -5.90241689127541 2875859 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)N=CN(C)C 1 1.371 5 1 0 -10.3908707023439 2875833 CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)O)C4=CC=CC=C4C=C2)N 1 3.853 1 4 -7.79151474491228 2875817 CC(C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 2.309 1 5 -15.7016238215466 2875807 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3CCCO3 1 1.243 1 4 0 -5.4311488530191 2875776 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=NNC3=NC=C(C=C3)[N+](=O)[O-] 1 2.891 5 4 0 -4.1974035820603 2875764 CCC1C(=O)NC(=NC1=O)SCC(=O)NC2=CC=CC=C2 1 1.973 3 3 0 -18.7496624456474 2875742 C1CC(OC1)C2CC(=O)N(C2=O)C3=CC=CC=C3 1 1.26 1 3 0 -5.2794858390172 2875733 CC(=CC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C 1 3.569 2 4 -2.43433365136233 2875732 CC1(C(=[N+](C2(N1O)CCCCCC2=NNC(=S)N)[O-])C3=CC=CS3)C 1 2.429 5 2 0 -1.82359990260055 2875731 CC1(C(=[N+](C2(N1O)CCCCCC2=NNC(=O)N)[O-])C3=CC=CS3)C 1 1.439 5 3 0 -4.98482010910272 2875654 CCOC1=CC=C(C=C1)CC2C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)CC=C 1 4.707 2 4 -9.75335639858033 2875653 CCCCCCN1C(C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)Cl 1 3.617 1 3 -16.0338467093044 2894909 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 3.899 3 4 0 -9.80685998592339 2894907 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4 1 3.103 4 4 0 -4.12344169695446 2894898 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=CC=CO4 1 2.012 4 5 0 -4.05973898492664 2894879 CCOC1=CC=C(C=C1)NC(=O)C2C3C2CCC4C(C4(Cl)Cl)CC3 1 3.91 1 2 -5.36159147309519 2894875 CC1=CC(=O)OC2=C1C=CC(=C2)OC(C3=CC=CC=C3)C(=O)O 1 3.53 0 5 -13.1405711273435 2894867 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-] 1 1.369 3 4 0 -3.8976767400393 2894857 CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OC(C4=CC=CC=C4)C(=O)O 1 4.62 0 5 -11.1974670789637 2894849 CC1=CC=CC(=C1)C2(CC2C(=O)NCC=C)C3=CC(=CC=C3)C 1 4.243 1 1 -4.03175777533626 2894823 C=CCNC(=O)C1(CC1(Cl)Cl)C2=CC=CC=C2 1 2.434 1 1 -8.13041590828859 2894799 COC1=CC=CC(=C1)C2(CC2C(=O)NC3=CC=CC=C3Cl)C4=CC(=CC=C4)OC 1 4.862 1 3 2.72134331270308 2894797 C1CC2C3(C2(C3C1)C(=O)O)C4=CC=CC=C4 1 2.22 0 2 -0.572952794656902 2894789 COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4OC)[N+](=O)[O-])OC 1 4.432 4 6 0 -9.96877309770385 2894786 C1CN2C(N(C(=O)N2C1)C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 3.219 3 1 -3.28800429941947 2894785 CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] 1 3.506 3 4 0 1.18392413950312 2894777 CC1=CC=C(C=C1)C2N3CCCN3C(=O)N2C4=CC=CC=C4 1 3.041 3 1 -5.11000299000629 2894769 CCOC(=O)C(C1=CC=CC=C1)OC2=C(C3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4)C 1 5.622 0 5 -8.89167221783691 2894763 C=CCNC(=O)C1CC2C3=CC=CC=C3C1C4=CC=CC=C24 1 3.46 1 1 -11.1301645596557 2894742 COC1=CC=CC(=C1)C2(CC2C(=O)NC3=CC=C(C=C3)F)C4=CC(=CC=C4)OC 1 4.403 1 3 2.89202544983169 2894737 CC1=NN(C(C1)(C2=CC=NC=C2)O)C(=O)CCC3=CC=CC=C3 1 1.692 3 2 0 -7.21820393143478 2894735 CC1=C(C(NC(=S)N1)C2=CC=CS2)C(=O)N 1 1.346 3 1 0 -22.3815021689012 2894730 COC1=C(C(=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-])OC)OC 1 1.33 2 6 0 -12.1337310793718 2894729 C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] 1 5.178 3 4 0 1.35415662536459 2894714 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C(=O)O.Cl Cl- 1 4.09 3 2 6.33726763848585 2894711 CCOC(=O)C(C1=CC=CC=C1)OC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4 1 5.136 0 5 -11.3931697500966 2894703 C1CN(CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C(=O)C4=CC(=CC=C4)F 1 3.159 4 3 0 -2.12723885364966 2894695 C1CC12C3C=CC2C4C3C(=O)N(C4=O)C5=NC=CS5 1 0.77 2 2 0 -1.81562277223854 2894685 CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CSC=C4)C(=O)OC 1 2.798 1 3 -41.6552060650485 2894673 COC1=CC=CC(=C1)C2(CC2C(=O)NC3=CC(=CC=C3)OC)C4=CC(=CC=C4)OC 1 4.181 1 4 1.08885500536213 2894657 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OC(C4=CC=CC=C4)C(=O)O 1 5.048 0 5 -7.25414168178249 2894647 C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OC(C4=CC=CC=C4)C(=O)O 1 4.061 0 5 -17.3909616615082 2894641 CCOC(=O)C1=NNC(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC 1 2.818 2 4 -6.62476185760323 2894638 COC1=CC=CC(=C1)C2(CC2C(=O)NC3=CC=CC4=CC=CC=C43)C5=CC(=CC=C5)OC 1 5.106 1 3 1.41795837851601 2894630 CC1=C(C(NC(=O)N1)C2=CC=CS2)C(=O)N 1 5.8e-002 3 2 0 -25.0953779548132 2894624 CCOC(=O)C1=NNC(C1C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3 1 2.818 2 4 -6.96805574085234 2894618 C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)CNC(=O)C3=CC=C(C=C3)OC(F)F.[Cl-] Cl- 1 4.287 2 3 -5.33051173910967 2894617 C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=CC=CC=C4Br 1 3.366 4 4 0 -4.82578694751392 2894600 C1=CC(=C(C(=C1)Cl)NCCNS(=O)(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 3.421 3 4 0 -6.28586823598813 2894593 C1=COC(=C1)C(=O)NCCNC2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 2.449 3 4 0 -6.96814282225743 2875616 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3CCCO3 1 1.746 1 3 0 -5.01818264387496 2875556 CC(C)CC(C(=O)OCC(=O)NC1=NC=C(C=C1)Br)NC(=O)C2=CC=CC=C2 1 3.234 3 4 0 -21.2930820625968 2875542 C1=CC=C(C=C1)C2=CSC(=N2)NN=CC3=CN=CC=C3 1 2.605 4 0 3.93176066479848 2875468 CC(C)(C)C1CCC(=NNC(=O)C(=O)NCC2=CC=CO2)CC1 1 2.029 3 3 -16.0579246662475 2875450 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC=C(C=C3)N(C)C)S(=O)(=O)C4=CC=CC=C4 1 3.962 3 4 0 -12.5261447600837 2875428 CC(C1=CC=CC=C1)NC(=O)C(=O)NN=C2CCC(CC2)C(C)(C)C 1 3.225 3 2 -14.0002221712538 2875367 CC1(C(N(C(=N1)C(=O)C2=CC=CC=C2)O)(C)O)C 1 1.197 2 3 0 -0.533402908989273 2875329 C1=CC=C2C(=C1)C3=C(S2)C(C(=C(O3)N)C#N)C4=CC=CO4 1 3.199 2 2 -0.807233146591132 2875311 CC1=CC=C(O1)C2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N 1 3.345 2 2 -0.599888674383467 2875260 CC1=NNC(=O)C1CC(=O)NN=C(C)C2=CC(=CC=C2)[N+](=O)[O-] 1 8.e-002 5 4 0 -20.1597422107025 2875252 CC(C)(C)C1CCC(=NNC(=O)C(=O)NCC2=CN=CC=C2)CC1 1 1.696 4 2 0 -16.4273273921143 2875190 CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC)C(=O)C(=CC4=CC(=C(C=C4)O)[N+](=O)[O-])S2)C 1 4.088 3 7 0 -24.4141551528964 2875132 CC1=CC=C(C=C1)NC2(C3=CC=CC=C3NC2=O)C#N 1 2.557 3 1 -7.02312256979449 2875102 COC1=CC=CC=C1N2CCN(CC2)N=CC3=CN=CC=C3.Cl Cl- 1 2.026 4 1 2.018237439539 2894591 C1=CC(=CC=C1S(=O)(=O)NCCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl 1 4.341 3 4 0 -2.86761036248205 2894586 CCC1=C(C=C2C(=C1)C3=C(CCCC3)C(=O)O2)OC(C)C(=O)O 1 4.225 0 5 -14.3944304495122 2894575 C1CC12C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC=CC=C5 1 1.03 2 3 0 -8.16179832635012 2894570 CCC1=CC=C(C=C1)OCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2 1 5.943 3 2 -17.6287014570094 2894562 C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=C(C=C3)Cl 1 3.413 4 3 0 -2.12255158863456 2894554 C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC=C2C(=O)O)N3C(=O)C4=CC=CC=C4C3=O 1 3.168 2 5 0 -14.4830383231895 2894546 COC(=O)CSC1=NC(=C2CCCCC2=C1C#N)N3CCCCC3 1 4.478 3 2 -16.5657006567418 2894534 CC1=NC2=CC=CC=C2C(=O)N1CCCO 1 0.558 2 2 0 -3.87386306872084 2894533 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3 1 3.718 1 1 -0.251195919479168 2894525 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)C4=CC=CC=C4 1 4.578 4 1 -7.89649101454332 2894509 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC=C3Cl 1 4.635 4 3 0 -9.73547713663228 2894507 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)C(C)(C)C 1 4.381 4 3 0 -5.92173369060489 2894495 CC(C(=O)OCC(=O)NC1=CC=C(C=C1)Br)NC(=O)C 1 0.949 2 4 0 -12.7386406608007 2894480 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CO3 1 3.366 4 4 0 -9.3528097101364 2894460 CCOC1=CC2=C(C=C1)N=C(S2)SC3CC(=O)N(C3=O)C4=C(C=C(C=C4)OC)OC 1 3.992 2 5 0 -4.36016256717438 2894456 CC1=CC=C(C=C1)N2CN(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-] 1 4.366 5 4 0 -11.1475582777097 2894448 CC1=C(C(C(OC1=O)C2=CC=C(C=C2)Br)(C)C)OC(=O)C3=CC=CC=C3 1 5.245 0 4 -6.21694796583979 2894447 CC(C1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=CC=C2Br 1 3.714 1 3 -10.4122250592687 2894446 CCC1C(=O)NC(=NC1=O)SCC(=O)NC2CCCCC2 1 2.255 3 3 -22.1769712937625 2894411 CCC(C)C1=CC=C(C=C1)NC(=O)COC2=C(C(=C(C(=C2F)F)C(F)(F)F)F)F 1 5.864 1 2 -4.15267708006624 2894402 C1CC2CC1CC2NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.007 1 2 -2.17892109445962 2894396 CC1=C(C(=CC=C1)C)NC(=O)C2CCCN(C2)CCCC3=CC=CC=C3 1 5.045 2 1 2.65122565681802 2894393 CC(=O)NC1=NN(C(S1)(C)CC(=O)OC(C)(C)C)C(=O)C 1 0.838 3 4 0 -15.8276084945901 2894368 C1CCC(C(C1)C(=O)O)C(=O)OCCCCOC(=O)C2CCCCC2C(=O)O 1 3.125 0 8 0 -4.71395083414427 2894365 CC1=[N+](C=C(C=C1)CCSC2=CC=CC=C2)CC(=O)C3=CC=CC=C3.[Br-] Br- 1 5.282 1 1 -0.90406650171635 2894350 COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCC(C2)C3=CC=CC=C3.Cl Cl- 1 3.587 1 4 2.13290901266104 2894332 CC1=NC(=NC=C1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)NC(=O)C 1 0.787 4 5 0 -10.6149696145413 2894325 C1=CC=C(C=C1)C2C(=O)NC(=NC2=O)SCC(=O)NC3=CC=CC=C3Cl 1 3.214 3 3 -18.9535882947992 2894319 COC1=CC=CC=C1N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 3.145 3 4 0 -24.36326075483 2894305 C1CN(CC2=CC=CC=C21)CCC(=O)C3=CC4=C(C=C3)OCCO4.Cl Cl- 1 3.268 1 3 -5.41730894047651 2894287 C1CN(CC1(C2=CC3=CC=CC=C3C=C2)O)CC4=CC=CC=C4.Cl Cl- 1 3.621 1 1 10.0495959486671 2894285 C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC=CO4)C(=O)NCC5=CC=CO5 1 2.388 2 4 -7.93431966815436 2894284 CCC1(C(C1(C(=O)OC)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3 1 3.575 1 7 0 -6.11778100960387 2894280 C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CS3 1 4.867 4 3 0 -7.12005236264582 2894279 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2CCCO2)C3=CC(=C(C=C3)OC)OC 1 2.395 2 6 0 -24.4544442990877 2894272 CC(C1=C(C=CC(=C1)OC)OC)NC(=O)C2=CC=C(C=C2)Br 1 3.714 1 3 -10.4783801383473 2894269 CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)N3CCOCC3 1 0.998 3 8 0 -13.9454448581042 2894259 C1=CC=C(C=C1)SCCNS(=O)(=O)C2=CC=CS2 1 2.718 1 2 -6.77875769544264 2894253 C1CN(CC1(C2=CC=C(C=C2)F)O)CC3=CC=CC=C3.Cl Cl- 1 2.919 1 1 9.34235526410962 2894223 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC(=C(C=C3)OC)OC 1 2.451 3 6 0 -15.0247721743395 2894220 C1CCN(C(C1)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.531 2 2 -5.33834020073969 2894202 C1=CC(=CN=C1)NC(=S)NC(=O)C2=CC=CS2 1 2.569 3 1 -9.51030929612205 2894183 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)C3=CC=CO3 1 4.031 4 4 0 -7.32319622722926 2894176 CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3C4CC(C3C(=O)O)C=C4 1 2.022 1 6 0 -20.5829768664727 2894170 CC1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)[N+](=O)[O-] 1 3.254 3 8 0 -11.6705694626758 2894149 CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=O)C3C4CC(C3C(=O)O)C=C4 1 3.118 1 5 -15.4694955522912 2894143 CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCN4CCOCC4 1 3.672 5 1 -9.65660535341746 2894141 C1CCN(C(C1)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.99 2 2 -4.22821853561812 2894140 COC1=C(C=C(C=C1)NC(=O)C2CCCCN2N)OC 1 0.876 3 3 0 -10.5268617941217 2894113 C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CS3 1 4.589 4 3 0 -8.31897816577769 2894099 C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)N)C4=CC=C(C=C4)N 1 2.27 3 1 -1.73648461559552 2894095 C1CC(CN(C1)C(=O)C2=CC=CC=C2F)C3=CC=CC=C3 1 3.718 1 1 -2.02869829880132 2894078 CC1=C(SC(=N1)N=CN(C)C)C(=O)NC2=CC=CC=C2 1 1.047 4 1 0 -2.22050431675647 2894049 C1C2CC3(CC1CC(C2)(C3)CC(=O)NC4=CC(=CC=C4)S(=O)(=O)N)CC(=O)NC5=CC(=CC=C5)S(=O)(=O)N 1 1.49 4 6 0 -11.522273587662 2894040 CC1=CC(=NC(=N1)N)NN=CC2=CC=C(C=C2)OC 1 1.612 5 1 0 1.50215236730846 2894039 CCOC1=CC=CC=C1N(CC(=O)NCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.787 2 6 0 -24.9194624068502 2894010 CC(C1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=C(C=C2)Br 1 3.714 1 3 -11.4625562126801 2894008 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4CCC6=CC=CC=C6)N=N3 1 4.607 7 2 0 -27.6798839876437 2894007 C1C(SC(=NC1=O)N)C(=O)NC2=CC=CC3=CC=CC=C32 1 2.028 3 2 -6.4983199007766 2893991 CC1=[N+](C=C(C=C1)CCSC2=CC=C(C=C2)C(C)(C)C)CC(=O)C3=CC=CC=C3.[Br-] Br- 1 6.682 1 1 2.89026433475932 2893985 C1CC(N(C1)C(=O)CC2=CC=CC=C2)C3=CC=CC=C3 1 3.351 1 1 -2.36671052835449 2893982 CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC(=O)C2=CN=CC=C2)OC(=O)C)OC(=O)C 1 -0.752 2 10 0 -29.786066381445 2893977 CCOC(=O)C1=C(N=C(S1)N=CN(C)C)C 1 0.467 3 2 0 -3.6427684749477 2874977 C1CC(OC1)CNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.326 2 4 0 -15.2972087208366 2874948 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)OC)/C(=O)NCCCN3C=CN=C3 1 2.268 4 3 0 -17.3076034646413 2874943 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCC3=CN=CC=C3 1 1.822 3 3 0 -19.757629492815 2874942 CC(C)CCN1C2=CC=CC=C2N=C1C(C)O 1 3.204 2 1 -4.82335703429993 2874940 CC1CN(CC(O1)C)C(=O)C2=CC3=C(C=C2)OCO3 1 1.454 1 4 0 -12.092126179721 2874907 CC1=CC(NC2=C1C=C(C=C2)OC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O)(C)C 1 3.689 2 4 -15.021835457619 2874906 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCCOC 1 -1.172 5 4 0 -29.4296237753125 2874885 CN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)CC4CCCO4)/C1=O 1 2.526 2 3 -10.8365182907054 2874873 COC1=C(C=C(C(=C1)C(=O)N2CCC3=CC=CC=C32)[N+](=O)[O-])OC 1 2.756 2 5 0 -14.3496156832866 2874872 CCOC(=O)C1=C(NC(=O)NC1C2=CSC=C2)C 1 1.075 2 3 0 -31.0088932655048 2874868 CC1=CC(=CC(=C1Cl)C)OCC(CN2CCCC2)O.Cl Cl- 1 3.539 1 2 -0.994730913500098 2874858 CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.767 1 3 -11.5138609591054 2874844 CCCCN1C2=CC=CC=C2N=C1C(C)O 1 2.953 2 1 -6.77122288110441 2874835 CC1=C2C(=C(SC2=NC(=C1[N+](=O)[O-])C)C(=O)OC)N 1 1.803 3 4 0 -3.71700661639573 2874834 CC1=CC=C(C=C1)C2=C[N+](=C3N2CCCCC3)CC(=O)C4=CC=C(C=C4)C.[Br-] Br- 1 5.963 2 1 0.253795167363271 2874832 CC(C)C1C2CC=CC2C3=C(N1)C=CC(=C3)S(=O)(=O)N 1 2.306 2 2 -3.67356540180434 2874831 CCOC(=O)C(=O)N1C(CC(C2=CC=CC=C21)N(C3=CC=CC=C3)C(=O)C(=O)OCC)C 1 3.053 2 6 0 -6.96944842253534 2874827 CC1=C(C(NC(=O)N1)C2=CC=C(O2)C3=CC=CC=C3Cl)C(=O)OC 1 2.827 2 4 -22.5496173011169 2874826 CC1CC(=O)NN=C1C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-] 1 1.568 4 3 0 -10.7915979806392 2874807 CC1=CC2=C(C=C1)OC=C(C2=O)C3C4=C(CCCC4=O)NC(=C3C(=O)OCC5CCCO5)C 1 2.472 1 6 0 -35.5285338381666 2874806 C1C(=O)N(C(S1)C2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5)CC6=CC=CC=C6 1 5.449 3 3 -2.33438893151642 2874798 CC1CC(C2=CC=CC=C2N1C(=O)C3=CC=NC=C3)NC4=CC=CC=C4 1 3.349 3 1 -8.00312101818303 2874794 C1C(=O)N(C(S1)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)CC5=CC=CC=C5 1 5.373 3 1 -4.50862687280495 2874763 CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)OCC5CCCO5 1 2.651 1 6 0 -33.49475708147 2874736 CN(C)C1=CC=C(C=C1)/C=C(/C(=O)NCCN2CCOCC2)\NC(=O)C3=CC=CC=C3 1 1.983 4 3 0 -23.8618009522178 2874732 CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC3=NSN=C3C=C2 1 4.79 2 2 -0.21053951166429 2874721 CC(C)(C)C1=CC=C(C=C1)C2=CSC3=NCCN23.Br Br- 1 3.23 2 0 2.57694707189364 2874655 CC(C)COP(=O)(C(C1=CC=CC=C1)NC2=CC=CC=C2)OCC(C)C 1 5.119 1 3 -9.22075628177465 2874661 C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2[N+](=O)[O-] 1 1.899 2 6 0 -15.4959337246217 2874702 C1CC2=C(C1)SC3=NC=NC(=C23)NN=CC4=CC=CS4 1 4.15 4 0 -4.14904479266968 2874589 CC1CN(CC(O1)C)C(=O)C2=CC=CC=C2OC3=CC=CC=C3 1 3.246 1 3 -10.7293448687827 2874628 CC1CC(CN(C1)CC(COCC2=CC=CC=C2)O)C.Cl Cl- 1 2.817 1 2 -7.70172962184367 2874626 CC(C1=CC=CC=C1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.928 2 3 -14.276318843745 2874579 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)OC)/C(=O)NCCN3CCOCC3 1 2.291 3 4 0 -20.81783321524 2874571 CCC1=CC=C(C=C1)C2=NN(C=C2C3N(C(=O)CS3)CC4=CC=CO4)C5=CC=CC=C5 1 5.543 3 2 -0.22433821076009 2874557 C1=CC=C2C(=C1)N=C(O2)N=C(N)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.764 5 4 0 -3.51406701050673 2874556 CN(C)C1=CC=C(C=C1)/C=C(/C(=O)NCCCN2C=CN=C2)\NC(=O)C3=CC=CC=C3 1 1.961 5 2 0 -20.3515712016192 2874547 CC(C)C1C2CC=CC2C3=C(N1)C=CC(=C3)C(=O)O 1 3.231 1 2 0.549265589684743 2874532 CC1CN(CC(O1)C)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 -0.392 5 4 0 -26.5301027458375 2874502 CC1=CC2=C(C=C1)OC=C(C2=O)C3C4=C(CCCC4=O)NC(=C3C(=O)OC5CCCC5)C 1 3.516 1 5 -31.9401114975617 2874486 C1CN(CCC1CC2=CC=CC=C2)CC(COCC3=CC4=C(C=C3)OCO4)O.Cl Cl- 1 3.687 1 4 -1.83099122738627 2874476 COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NS(=O)(=O)C3=CC=CC=C3 1 3.923 2 4 -11.4397137749301 2874455 C1COCCN1NC(=O)NC23CC4CC(C2)CC(C4)C3 1 0.914 3 2 0 -8.20713816037924 2874446 CC(CC(=O)O)C(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] 1 2.436 1 5 -8.91803052719865 2874437 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 0.689 7 5 0 -20.1754921616161 2874409 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)F)/C(=O)NCCCN3C=CN=C3 1 2.49 4 2 -16.1827602300319 2874407 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=COC4=CC=CC=C4C3=O)C(=O)OCC5CCCO5 1 2.444 1 6 0 -37.8402133754275 2874370 C1=CC=C(C=C1)C=NNC2=NC(=O)C3=CC=CC=C3N2 1 2.47 4 1 -7.02617845966961 2874400 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)OC)/C(=O)NCC3=CN=CC=C3 1 2.897 3 3 -19.9507829563125 2874396 CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)OCC(=O)O)OC)C(=O)C1)C 1 4.719 1 5 -24.9476867638085 2874392 COC1=CC=C(C=C1)C=NNC2=NC(=O)C3=CC=CC=C3N2 1 2.454 4 2 -7.098787854717 2874375 COC1=CC=C(C=C1)CCNC(=O)NC23CC4CC(C2)CC(C4)C3 1 3.401 2 2 -9.12512125803238 2874345 C1C(CS1)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Cl 1 3.723 1 2 -4.11462405458074 2874334 CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=CC=CC=C4C3=O)C(=O)OC(C)C 1 2.354 1 5 -32.8808376627606 2874327 CC1=C(C(C(=C(N1)C)C(=O)OC)C2CCC=CC2)C(=O)OC 1 2.1 1 4 -14.0061637481281 2874292 COC1=CC=C(C=C1)C(=O)NCCSC2=CC=CC=N2 1 2.6 2 2 -10.8415305973091 2874280 CC(=C1C(=O)CC(CC1=O)(C)C)NCC2CCCO2 1 1.041 1 3 0 -15.5849205074202 2874268 CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCCN(C)C)C#N 1 3.249 5 0 -10.572183977447 2874250 CCN(CC)C1=C(C=C(C=C1)C2=NNC(=O)CC2C)[N+](=O)[O-] 1 2.266 4 3 0 -11.7239329570928 2874231 CC1=C(C(NC(=O)N1)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)C(=O)OCCOC 1 3.361 2 5 0 -23.9854032975277 2874229 CC1=C(C(NC(=O)N1)C2=CC=CS2)C(=O)OCCOC 1 0.78 2 4 0 -32.4113026352777 2874228 CC1CC(N(C2=C1C=C(C=C2)C)C(=O)NC3CCCCC3)(C)C 1 4.861 2 1 -4.87185817948687 2874224 CC(C(=O)C1=CC=C(C=C1)OC)[N+]2=CC=C(C=C2)C3=NN=C4N3CCCCC4.[Br-] Br- 1 4.081 4 2 -6.35925848598329 2874218 CCC(C)NC(=O)C1=CC(=C(C(=C1)OCC)OCC)OCC 1 3.285 1 4 -18.5579324410799 2874206 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Cl)/C(=O)NCCN3CCOCC3 1 2.971 3 3 -18.582868315509 2874197 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)N(C)C)C(=O)NC3=CC=CC=C3Cl 1 2.82 4 2 -32.2445715161821 2874150 C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=NC=C3)CCC#N 1 2.108 6 1 0 -5.69407961138961 2874147 COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(N2CC(=O)NN)C4=CC=CC=C4 1 3.54 4 2 -4.1901781456193 2874139 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)NCCCN3C=CN=C3 1 2.238 4 2 -17.1815745912251 2874138 CCC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)NN 1 2.218 4 1 -10.7560772522109 2874111 COC1=CC=C(C=C1)/C=C(/C(=O)NCCN2CCOCC2)\NC(=O)C3=CC=CC=C3 1 1.804 3 4 0 -21.6134807827493 2874132 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)NCC3=CN=CC=C3 1 2.867 3 2 -19.9221483094211 2893970 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N(C)C)S(=O)(=O)N 1 3.124 5 3 0 -16.4104750365095 2893964 C1CCN(C(C1)C2=CN=CC=C2)C(=O)NC3=CC=CC=C3 1 2.531 3 1 -1.78555070115249 2893957 C1CCN(CC1)C2=C3CCCCC3=C4C(=C(SC4=N2)C(=O)N)N 1 3.419 4 1 -6.44539875080128 2893903 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4CC(C3C(=O)O)C=C4 1 2.866 1 5 -14.7751517117359 2893905 COC(=O)C1=CC=C(O1)CSC2=NC=NN2 1 1.585 3 3 0 -12.7191949383096 2893929 C1COC2=C(O1)C=CC(=C2)C(=O)CCN3CC4=CC=CC=C4C3.Cl Cl- 1 2.947 1 3 -4.0652658408994 2893926 C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)NC4=CC=C(C=C4)F 1 1.236 3 2 0 -6.48965986270596 2874064 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NCC3=CN=CC=C3 1 2.914 3 2 -19.8071547907775 2874061 C1CCC2=NN=C(N2CC1)C3=CC=[N+](C=C3)CC(=O)C4=CC=C(C=C4)Cl.[Br-] Br- 1 4.278 4 1 -3.91480076643071 2874056 CN(C1CCS(=O)(=O)C1)C(=O)C23CC4CC(C2)CC(C4)C3 1 1.642 1 3 0 -10.8250244224617 2874044 COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C=C(C=C3)Br)C(N2CC(=O)NN)C4=CC=CC=C4 1 3.508 4 4 0 -8.37301552200877 2874023 CCOC1=CC=C(C=C1)C2N(C(=O)CS2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.664 3 3 -19.4125331302104 2874016 C1CS(=O)(=O)CC1NC(=O)C2=CN=CC=C2 1 -0.605 2 3 0 -14.4918006960352 2873992 CC1=CC(=NC(=N1)N=C(N)NC2=CC=C(C=C2)S(=O)(=O)N)C 1 -5.7e-002 6 2 0 -8.62783322753079 2873990 COC(=O)CN1C(C2=C(C=CC(=C2)Br)NC1C3=CC=CC=C3O)C4=CC=CC=C4 1 5.139 2 3 -5.73969673476089 2873988 C1CCC2=[N+](C=C(N2CC1)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)Br.[Br-] Br- 1 5.739 2 1 0.970936638751003 2873960 C1COCCN1CCNC(=O)/C(=C/C2=CC=C(C=C2)Cl)/NC(=O)C3=CC=CC=C3 1 2.485 3 3 -19.3785158830184 2873955 CCOC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)CCC2)C 1 1.976 1 5 0 -31.5288828450052 2873940 CCOC1=CC2=C(C=C1)N=C(S2)SC3CC(=O)N(C3=O)C4=CC=CC=C4 1 4.025 2 3 -1.61504029244032 2873908 CC1=C(C(NC(=S)N1)C2=CC=CS2)C(=O)OCCOC 1 2.068 2 3 -29.6974268493656 2873902 CCOC(=O)CN1C(C2=C(C=CC(=C2)Br)NC1C3=CC=CC=C3O)C4=CC=CC=C4 1 5.488 2 3 -6.08276580407503 2873898 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Cl)/C(=O)NCC3=CN=CC=C3 1 3.092 3 2 -18.6088598506157 2873891 COC1=CC=C(C=C1)C2NC3=C(C=C(C=C3)Br)C(N2CC(=O)O)C4=CC=CC=C4 1 2.105 2 3 -8.99002648112821 2873890 C1COCCN1CCNC(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC=CC=C3 1 1.216 3 4 0 -20.5272855252176 2873880 CC1CC(N(C2=C1C=C(C=C2)OC)C(=O)NC3CCCCC3)(C)C 1 4.359 2 2 -6.50992388777655 2873860 CC1C2CC(CC1(C)C)N(C2)C(=O)NC3=CC4=NC=CN=C4C=C3 1 2.636 4 1 -2.78410060872577 2873851 CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=NN3)C 1 2.341 4 2 -2.39606264925796 2873843 COC1=NC(=NC(=N1)NN=CC2=CC=CC=C2F)N3CCCCC3 1 3.138 6 1 0 -2.89477471247644 2873834 CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=CC=CC=C4C3=O)C(=O)OCC5CCCO5 1 1.986 1 6 0 -36.8841745180781 2873800 COC1=CC=C(C=C1)N2C3=[N+](CCC3)C=C2C4=CC=C(C=C4)Br.[Br-] Br- 1 5.131 2 1 3.48751382667502 2873799 CCCNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC 1 1.772 2 5 0 -14.4135148035255 2873792 C=CCN1C(=O)C(SC1=NC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)SC(F)F 1 5.738 2 3 -9.44353892268067 2873790 C1COCCN1C2=CC=C(C=C2)NC3CC(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F 1 3.126 3 3 -2.15287569096443 2873788 CC1CCCC(N1CC(COC2=C(C=C(C=C2)Cl)C)O)C.Cl Cl- 1 4.264 1 2 -3.71752040904835 2873782 CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=CC=CC=C4C3=O)C(=O)OC5CCCC5 1 3.03 1 5 -33.2957521774733 2873776 CC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(C(=O)N3)CC(=O)O 1 1.389 5 3 0 -7.56823499876217 2873767 C1C(C(=O)N(C1=O)C2=CC=CC(=C2)C(F)(F)F)SC3=C(C=CC=N3)C(=O)O 1 3.028 2 4 0.992327905385124 2873765 CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=CC=CC=C4C3=O)C(=O)OC 1 1.628 1 5 0 -30.7795689766597 2873757 COC1=NC(=NC(=N1)NN=CC2=CC(=CC=C2)Br)N3CCCCC3 1 3.681 6 1 0 -1.70755916424254 2873743 COC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC 1 3.362 2 5 0 -1.22073148733365 2873740 C1=COC(=C1)CNCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O 1 4.883 2 2 6.84498543369091 2873729 CC1CCCCN1C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 0.46 5 3 0 -22.6670225307655 2873722 CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCCO)C#N 1 2.571 4 1 -9.45095413470141 2873712 CC1=CC(=CC(=C1Cl)C)OCC(CN2CCOCC2)O.Cl Cl- 1 2.766 1 3 -3.74780563858026 2873709 CC1CN(CC(O1)C)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 1.548 2 6 0 -16.5547668628673 2873701 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=COC4=CC=CC=C4C3=O)C(=O)OC5CCCC5 1 3.488 1 5 -34.2517910348226 2873691 C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Cl)/C(=O)NCCCN3C=CN=C3 1 2.463 4 2 -15.8682861324197 2873677 C1CC(=O)NC1C(=O)NC2=CC=CC3=CC=CC=C32 1 1.309 2 2 0 -10.0881615337269 2873664 CCOC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)CC(C2)(C)C)C 1 2.434 1 5 -32.5390218902194 2873655 CC1=CC(=NC(=N1)N=C(N)NC2=CC(=CC=C2)[N+](=O)[O-])C 1 1.133 6 2 0 -5.1532948323576 2873615 COC1=CC(=CC(=C1OC)OC)C2=NC(=NN2)N 1 1.24 4 3 0 -1.43881849519926 2873609 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.188 4 6 0 -10.8839298137975 2873591 C1=CC=C(C(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3F)F 1 3.704 3 4 0 -8.84482935901328 2873585 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCCN3CCOCC3 1 1.702 3 4 0 -19.6342437311835 2873542 CCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.029 3 6 0 -4.02966903684382 2873539 C1CC(OC1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.53 2 2 -12.638217594153 2873516 CC(C)(C)C1=CC=CC=C1OCC(CNC(C)(C)C)O.Cl Cl- 1 3.237 1 2 -4.89528170586335 2873488 CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=CC=CC=C4C3=O)C(=O)OCCOC5=CC=CC=C5 1 3.26 1 6 0 -33.0151106264114 2873476 CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)CO 1 -7.2e-002 1 6 0 16.7061527537554 2873460 C1=CC(=CC=C1CC2C(=O)N=C(S2)NC3=CC=C(C=C3)F)F 1 4.333 2 1 -4.03824818573971 2873453 CC1=CC=C(C=C1)S(=O)(=O)NC(=NC(CC2=CC=CC=C2)C(=O)O)C3=CC=CC=C3 1 4.457 2 4 -6.78781617338446 2873421 CC1=C(C(C2=C(N1)CCCC2=O)C3=CSC=C3)C(=O)OCC4CCCO4 1 2.13 1 4 -40.8811053908814 2873407 C1=CC=C(C=C1)CN=C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 4.033 2 2 -8.26450254849319 2873402 CC1=C2C(=CC(=C1)[N+](=O)[O-])C3C=CCC3CN2 1 2.761 2 2 -2.13819176066576 2873401 CCCCNC(=O)CC1C(=O)NC2=CC=CC=C2N1 1 1.217 3 2 0 -23.9659143158757 2873386 CCN1C(=CN=C1C2=CC=CC=C2)SCC.Cl Cl- 1 3.212 2 0 3.07081056656332e-002 2873371 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NCCCN3C=CN=C3 1 2.285 4 2 -17.0665810725815 2873368 C1COCCN1CC#CC23CC4CC(C2)CC(C4)C3 1 3.072 1 1 3.64876430014614e-002 2873358 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC(=O)OC)C(=S)NC3=CC=C(C=C3)F 1 3.64 3 5 0 -13.1708200905142 2873339 CCOC(=O)CNC(=O)C1=CC=C(C=C1)C#CC2(CCCCC2)O 1 2.794 1 4 -11.2557636607165 2873337 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=C(C=C3)[N+](=O)[O-])O 1 2.355 3 4 0 -5.79981402751408 2873331 C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC4=C(C=C3)N=CC=C4 1 2.917 3 4 0 -5.80625783459338 2873328 C1C(CN(C1=O)C2=CC=C(C=C2)Br)C(=O)NC3=C(C(=CC=C3)Cl)Cl 1 3.963 2 2 -3.6487320882763 2873271 C1=CC(=C(C(=C1)Cl)Cl)CC2C(=O)N=C(S2)N 1 3.468 2 1 -3.45448599544365 2873260 C1COCCN1CC2=C(C=CC3=C2C(=CO3)C(=O)C4=CC=CC=C4)O.Cl Cl- 1 3.057 1 4 3.56194164581519 2873248 C1CC2C3C(C4CCCC4=C2C1)C(=O)N(C3=O)C5=CC(=CC=C5)Cl 1 4.241 1 2 2.38251043230241 2873240 CC1CCCN(C1)C2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 2.649 2 4 -8.98468929904121 2873224 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC3COC4=CC=CC=C4O3 1 3.917 2 4 -14.5964814960184 2873223 CC1=CC=C(C=C1)S(=O)(=O)N(C)C(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.293 2 4 -6.89318335691328 2873211 CC1=C(C(C2=C(N1)CCCC2=O)C3=CSC=C3)C(=O)OC 1 1.771 1 3 0 -34.776499849463 2873208 C=CCN1C(=O)C(SC1=NN=CC2=CC=CS2)CC3=CC=C(C=C3)F 1 4.972 3 1 -11.1427152769141 2873199 CC1=CC=C(C=C1)S(=O)(=O)NC(=NC(C)C(=O)O)C2=CC=CC=C2 1 2.901 2 4 -8.85395964662924 2873188 CC1=CC(=C(C=C1)OCC(=O)NNC(=O)C2CCCO2)C 1 1.347 2 4 0 -15.651662071857 2873178 C1=CC=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2O)O 1 2.219 2 3 -1.68470528944744 2873173 CC1=C(SC(=N1)NN=CC2=CC3=C(C=C2)OCO3)C 1 2.005 3 2 -1.15790121204276 2873163 C1COCCN1CCNC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 1.821 3 3 0 -21.6654898527378 2873157 CCOC(=O)C1=C(C2C3C(C1(C4C2C(=O)N(C4=O)C5=C(C=CC(=C5)C)C)C)C(=O)N(C3=O)C6=C(C=CC(=C6)C)C)C 1 4.623 2 6 0 -3.21509610151632 2873147 CCC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.969 4 4 0 -25.0204051706397 2873129 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)N=C(S3)N 1 2.493 3 4 0 -21.871804371258 2873127 CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=CS3)C(=O)OC 1 2.301 2 3 -26.5305572608607 2873125 CC1=C(C=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4)Cl 1 3.294 1 2 1.38650724909011 2873076 CN(C(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.807 2 4 -7.19170370488226 2873023 C1CC2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F 1 3.085 1 2 6.34274658380917 2872998 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)OC 1 2.229 1 3 -35.7866388946772 2872982 C=CCN1C(=O)C(SC1=NN=CC2=CC=CO2)CC3=CC(=CC=C3)Cl 1 4.873 3 2 -9.09897049875938 2872969 CN(C)C(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=C(C=C2)F 1 2.861 2 2 -5.7390551699828 2872957 COC(=O)CN(C1CC(=O)N(C1=O)C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)F 1 3.656 3 4 0 -13.1879299254218 2872941 C1=CC=C(C=C1)/C=C(/C(=O)NCCCN2C=CN=C2)\NC(=O)C3=CC=CC=C3 1 1.799 4 2 0 -18.1552601021391 2872940 C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)O)/SC2=S 1 3.171 2 6 0 -13.8480822553058 2872897 C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O 1 3.656 2 4 -12.0476880226049 2872890 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=CC=CC=C3 1 3.026 1 3 -7.99166216860375 2872881 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3CCCO3 1 1.431 2 4 0 -25.8613402151103 2872879 CCC1=CC=CC=C1N2C(=O)C3C4CCC(C3C2=O)C=C4 1 3.085 1 2 0.230082411025528 2872878 C1=CC(=CC=C1OCC(=O)NCCCN2C=CN=C2)Cl 1 1.341 3 2 0 -5.37826489489043 2872850 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O 1 2.914 3 5 0 -5.38662017515001 2872840 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCN.Cl Cl- 1 1.518 2 3 0 -4.31196072933337 2872834 C1=CC(=CC=C1CC2C(=O)N=C(S2)N)F 1 2.345 2 1 -3.13188138319795 2872827 CCN(CC)C(=NS(=O)(=O)C1=CC=C(C=C1)C)C2=CC=CC=C2 1 3.839 2 2 -8.52531959695433 2872795 C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)C(=O)O 1 4.32 2 4 -9.44361020614513 2872793 CCN(CC)C1=CC=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCCOC(C)C)C 1 3.564 2 4 -43.4854457818752 2872777 C1=CC(=CC=C1CC2C(=O)N=C(S2)N)Br 1 2.888 2 1 -3.47841946317782 2872746 C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4 1 2.917 3 4 0 -8.97221541848974 2872744 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC(=CC=C3)[N+](=O)[O-])O 1 2.355 3 4 0 -7.20421827811864 2872734 CC1=CC=C(O1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOC4=CC=CC=C4)C 1 3.529 1 5 -38.3048292597006 2872710 COC1=CC=C(C=C1)CC2C(=O)N(C(=NN=CC3=CC=CO3)S2)CC=C 1 4.192 3 3 -10.4605330440142 2872706 C1=CC(=C(C=C1Cl)CC2C(=O)N=C(S2)N)Cl 1 3.468 2 1 -1.34935342738985 2872705 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)OCC4CCCO4 1 2.588 1 4 -41.8371442482307 2872696 CN(C)C(=NS(=O)(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2 1 3.404 2 2 -5.98523117823586 2872694 CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NCCCOC 1 2.855 2 2 -14.5796410357767 2872681 CCOC1=CC=C(C=C1)CC2C(=O)N(C(=NN=CC3=CC=CS3)S2)CC=C 1 5.099 3 2 -13.0337816632316 2872676 CCC(C(=O)O)SC1=NC2=CC=CC=C2O1 1 2.928 1 3 -6.18121809168268 2872659 CN(C)CC1=C(C=CC2=C1C(=CO2)C(C3=CC=C(C=C3)OC)O)O 1 2.956 1 4 4.88916502936754 2872648 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCC(=O)NCC4=CN=CC=C4 1 1.511 3 3 0 -14.1944577575304 2872644 CC(C)C1=CC=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4 1 3.337 1 2 1.4900496307967 2872643 CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2)Cl 1 2.615 3 2 -14.7293755378718 2872637 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC(=O)OC)C(=S)NC3=CC=CC=C3 1 3.434 3 5 0 -14.0393512543528 2872635 CCOC1=CC=C(C=C1)CC2C(=O)N=C(S2)NN=CC3=CC=CO3 1 3.718 3 3 -5.31005226018855 2872630 C=CCC1=CC=CC(=C1O)C2NC3=CC=CC=C3C(=O)N2O 1 3.227 2 3 -6.28185926874586 2872626 CCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)CC4CCCO4)/C1=O 1 2.875 2 3 -12.0405481473589 2872591 C=CCN1C(=O)C(SC1=NN=CC2=CC=CO2)CC3=CC=C(C=C3)Br 1 4.957 3 2 -9.68222788938464 2872587 CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)CCS2)C 1 2.787 2 4 -27.0276706579756 2872566 CC1=C(C=C(C=C1)S(=O)(=O)N2C=NC3=C2C=CC(=C3)[N+](=O)[O-])C 1 3.569 3 4 0 -5.12625975124015 2872558 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC(=O)OC)C(=S)NC3=CC=C(C=C3)Cl 1 4.099 3 5 0 -12.0606984253927 2872537 C1CC2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC=C4F 1 2.348 1 2 2.25578581818521 2872535 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] 1 2.921 2 5 0 -9.27124505118138 2872524 CC1=CC=C(O1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=CC=C4)C 1 3.023 1 4 -35.4911837899009 2872515 C=CCN1C(=O)C(SC1=NN=CC2=CC=CO2)CC3=CC=C(C=C3)F 1 4.414 3 2 -9.33568980940477 2872499 COC1=CC=C(C=C1)CC2C(=O)N(C(=NN=CC3=CC=CS3)S2)CC=C 1 4.75 3 2 -12.2675585115235 2872498 CC1=CC=C(C=C1)S(=O)(=O)N=C(CSC(=O)N)NC2=CC=CC=C2 1 2.257 3 3 -7.42099964293543 2872496 CC(=O)C1=C(C2=CC=CC=C2NC1=O)C3=CC=C(C=C3)Cl 1 3.085 1 2 -4.12917655165351 2872481 CCN(CC)C1=NC2=C(S1)C(=O)CC(C2)(C)C 1 2.344 2 1 -9.26696756242097 2872475 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCCO 1 3.293 2 1 -2.28477850028282 2872439 CC(=O)NC(C1=CC2=CC=CC=C2C=C1)C3=C(C4=C(C=CC=N4)C=C3)O 1 3.422 2 2 -0.970707153793045 2872363 CC1C(=NN(C1=O)C2=NC(=CS2)C3=CC=C(C=C3)OC)C 1 2.513 3 2 0.837027203474176 2872369 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CN=CC=C3)CC4=CC=CC=C4 1 2.351 5 1 -11.2087847204997 2872374 C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3 1 3.434 2 2 -9.90109130278533 2872408 CCOP(=O)(C(C1=CC=CC=C1)N(C)C=O)OCC 1 1.295 1 4 0 -5.13189022758865 2872399 C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC3=CC=C(C=C3)O 1 3.514 2 2 -0.375490568864505 2872348 CC1C=C(CC(C1C(=O)O)C(=O)N2CCN(CC2)C)C 1 -1.934 2 3 0 -6.54407830632996 2872290 COC1=C(C=C(C=C1)CNC(=O)C2CCCN2CCC3=CC=CC=C3)OC 1 3.431 2 3 -11.649840219984 2872295 CC(C)(C(=NO)C1=CC=C(C=C1)OC)NO.Cl Cl- 1 1.622 2 3 0 1.00115094964693 2872297 CC1=CC=C(C=C1)C2N(N=C(S2)NC(=O)C)C(=O)C 1 2.082 3 2 -11.2344844826384 2872306 CCN(CC)CCC(=O)N1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)NC(=O)OCC.Cl Cl- 1 2.973 3 4 0 -7.99120685163648 2872342 CC1CCCCN1C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CO4 1 3.524 4 2 -13.4347015775544 2872337 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4 1 4.166 4 1 -10.8689162944504 2872333 C1C(CN(C1C(=O)O)C(=S)NC2=CC=CC=C2)O 1 2.035 2 3 -8.81719626966364 2872326 CC1CCCCN1C(=O)C2=CC(=C(C=C2Cl)F)F 1 3.614 1 1 -6.19600829577479 2872325 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CO3)CC4=CC=CC=C4 1 2.687 4 2 -13.1302903388964 2872322 C1CCN(CC1)C2=C(C=C(C(=C2)N3CCOCC3)[N+](=O)[O-])F 1 2.859 3 3 -4.81659455723754 2872320 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CC=C3)CC4=CC=CC=C4 1 3.502 4 1 -12.0634032406481 2872319 C1=CC=C(C=C1)CNC(=S)NC(CC(=O)O)C(=O)O 1 1.587 2 4 0 -17.3323841274759 2872316 CC1CCCN(C1)C2=NC3=NON=C3N=C2NC4=C(C=CC(=C4)OC)OC 1 2.226 6 3 0 -15.884558935518 2872315 C1=CC=C(C=C1)CSCC2C(=O)N(C(=S)N2)C3=CC=CC=C3 1 4.048 2 1 -12.4982877113166 2872283 CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3C=NC(=N3)[N+](=O)[O-] 1 1.271 6 4 0 -17.6401191846303 2872282 C1=CC=C(C=C1)CNC(=S)NC(CC(=O)N)C(=O)O 1 0.96 3 3 0 -16.3379350838212 2872214 CC1C(=O)NC(S1)C2=CC=CC=C2Cl 1 2.605 1 1 -7.36878068389756 2872256 CC1C=C(C2C(C1COC2C3=C[N+](=CC=C3)C)C)C.[I-] I- 1 3.413 1 1 -0.201673275066866 2872251 CC1CCCC(N1C(=O)C2=C(C(=CC(=C2F)F)C)Cl)C 1 4.477 1 1 -5.00170275872253 2872242 CC1CCCCN1C(=O)C2=C(C(=CC(=C2F)F)C)Cl 1 4.1 1 1 -5.39075061622428 2872241 COCCNC(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=C(C=C3)F)C(F)(F)F 1 3.131 4 2 -15.8253791486724 2872206 CC(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(C3=C(C=CC=N3)C=C2)O 1 2.408 3 4 0 -5.69500498511788 2872194 CNC1=NC(=CS1)C23CC4CC(C2)CC(C4)C3 1 3.001 2 0 6.3359606309593 2872178 CCNC(=S)NCCN1CCCCC1.Cl Cl- 1 2.062 3 0 -8.55510301890188 2872175 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C=NC(=N3)[N+](=O)[O-] 1 2.473 5 5 0 -21.9032195115992 2872174 C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(O4)Br 1 4.081 1 3 -6.26109877231146 2872170 CC1=NN(C(=O)C1C(C2=CC=NC=C2)C(C#N)C#N)CC3=CC=CC=C3 1 1.464 5 1 0 -2.57458164751762 2872167 C1=CC=C(C=C1)CC2C(=O)N(C(=S)N2)CC3=CC=CC=C3 1 3.762 2 1 -2.93209216659389 2872157 CCC(C(=O)O)NC(=S)NCC1=CC=CC=C1 1 2.73 2 2 -14.616193638256 2872147 CC1=CC=C(C=C1)C2=[N+](C3(CCCCC3=O)N(C2(C)C)O)[O-] 1 2.296 2 3 1.36526796341221 2872135 CC1CC(=CC(C12COC(OC2)C3=C[N+](=CC=C3)C)C)C.[I-] I- 1 3.542 1 2 -3.28133744676 2872121 CC(=O)NC(C1=C(C=C(C=C1)OC)OC)C2=C(C3=C(C=CC=N3)C=C2)O 1 2.481 2 4 -3.39052643475034 2872116 C1CC2C(=O)N(C(=S)N2C1)CC3=CC=CC=C3 1 2.855 2 1 -1.71799007805289 2872113 CC(C)C(C(=O)O)NC(=S)NCC1=CC=CC=C1 1 3.05 2 2 -16.866987554511 2872104 CN(CP(=O)(C(C1=CC=CC=C1)O)O)S(=O)(=O)C 1 2.5e-002 1 5 0 -7.64145385915418 2872085 CC(C)(C(=NO)C1=CC=C(C=C1)Cl)NO.Cl Cl- 1 2.303 2 2 3.23611584937789 2872083 CC1=CC(=NC=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.084 2 2 2.16874216480586 2872082 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=NC=C3)CC4=CC=CC=C4 1 2.351 5 1 -10.894519664165 2872072 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=CN2C 1 2.092 4 1 -19.8013973636801 2872053 CC1C(=O)NC(S1)C2=C(C=C(C=C2)Cl)Cl 1 3.269 1 1 -3.96186046021899 2872045 C1COCCN1C(=O)C2=C3C(=CC=C2)C4C=CCC4C(N3)C(=O)O 1 1.099 2 4 0 -5.96945426987887 2872002 CC(=O)NC1=NN(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C 1 1.491 4 4 0 -14.8249841349718 2872001 C1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCOCC3 1 2.859 3 3 -4.81659455723754 2871997 C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC(=O)O 1 1.581 2 3 0 -9.43643118145052 2871994 C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCO 1 2.31 2 3 0.369464663561183 2871988 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4 1 4.166 4 1 -9.4960194037528 2871971 CCC1=[N+](C(N(C1(C)C)O)(C)C(=NO)C)[O-] 1 -7.9e-002 3 3 0 -0.701784893773761 2871969 CCOC1=NC(=NC(=N1)NC(C)(C)C)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.916 6 3 0 -8.67482566922397 2871954 CC1(C(=[N+](C2(N1O)CCCCC2=NO)[O-])C3=CC=C(C=C3)Cl)C 1 2.541 3 3 8.45778551864774 2871937 COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC=CS3)C4=CC=CC=C4 1 4.353 2 2 -9.95652808498074 2871929 C1CCN(CC1)C2=CC(=C(C=C2F)[N+](=O)[O-])Br 1 3.757 2 2 -0.143655673371711 2871923 COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NCCCN4C=CN=C4 1 2.845 6 2 0 -12.1677065730011 2871919 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Br)C 1 4.069 4 5 0 -22.421519030005 2871915 CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=C(C(=CC=C5)OC)OCC(=O)O)C(=O)C1)C 1 4.719 1 5 -21.6123439251073 2871911 C1=CC=C(C=C1)CC2C(=O)N(C(=S)N2)C3=CC=CC=C3 1 3.756 2 1 -3.36321104683149 2871907 CC(=NO)C1(N(C(C(=[N+]1[O-])C2=CC=C(C=C2)F)(C)C)O)C 1 1.134 3 3 0 2.25208875814973 2871893 CC(CCC=C(C)C)NC(=O)NC1CCCCC1 1 3.848 2 1 -10.9964604623609 2871846 CCCC(=O)NC1=CC=C(C=C1)C2=NC3=C(O2)C=C(C(=C3)C)C 1 4.496 2 2 -4.30429041571531e-002 2871851 CC(=O)NC(C1=CC=C(C=C1)Cl)C2=C(C3=C(C=CC=N3)C=C2)O 1 3.178 2 2 -0.427122677608013 2871853 CC(C)(C(=O)C1=CC=C(C=C1)OC)NO.Cl Cl- 1 1.554 1 3 0 -2.4356919602382 2871854 C1=CC=C(C=C1)CN2C(=O)C(NC2=S)CCC(=O)N 1 1.281 3 2 0 -7.40657923231919 2871886 CC1=CC(=C(C=C1C(=O)C)F)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])F 1 4.153 3 3 -2.90716429518982 2871878 C1=CC=C2C(=C1)N=CN2CCOCCOCCN3C=NC4=CC=CC=C43 1 2.659 4 2 -5.18384297977903 2871868 CC(C)C1C(=O)N(C(=S)N1)CC2=CC=CC=C2 1 3.049 2 1 -2.13077457964508 2871827 COC1=C(C=C(C=C1)CSCCN)Cl.Cl Cl- 1 2.197 1 1 -4.84599889860625 2871826 CC1(CC(=O)C(CO1)C2(C3=CC=CC=C3NC2=O)O)C 1 0.257 1 4 0 -9.73290933138534 2871821 CCOC(=O)C(CCC(C)C)(CCC(=O)O)C1=CSC(=N1)N 1 2.882 2 4 -8.40999633971135 2871815 CC1CC(C(=O)O1)CCC(=NNC(=O)N)C 1 7.1e-002 3 3 0 -9.52532231629978 2871813 C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=CC=C3)N4CCOCC4 1 5.124 3 1 -12.4389461463612 2871812 CC1(CC(=O)C(CO1)C2(C3=CC=CC=C3N(C2=O)C)O)C 1 0.463 1 4 0 -2.14273160783943 2871809 CC1(CC(CCO1)NCC2=CC=CC=C2)C.Cl Cl- 1 1.791 1 1 0 -2.47680618254531 2871808 CCCCOCC(CCC1=NNC(=S)N1C2=CC=CC=C2)O 1 3.138 3 2 -8.93562783447884 2871806 CCCOC1=C(C=C(C=C1)CN2C=CN=C2)[N+](=O)[O-] 1 2.257 3 3 -0.975374592877837 2871805 CCCOCC(CCC1=NNC(=S)N1CC=C)O 1 1.722 3 2 0 -11.9722391574396 2871784 CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=CC=C4)OC)OC 1 4.52 1 4 -10.4100473688275 2871775 CCOC1=CC2=C(C=C1)N=C(S2)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)C 1 4.511 2 3 -1.35373709729809 2871669 COC1=CC(=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4)[N+](=O)[O-] 1 1.565 2 5 0 1.69624214275461 2871628 CC1=C(C(=NN1CC(=O)NCC2=CC=CO2)C(F)(F)F)Cl 1 2.485 3 2 -13.9010036966892 2871577 COC1=CC=C(C=C1)C2C(C(=O)C(C(N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C5=CC=CC=C5 1 5.729 1 3 -1.6492628507522 2871530 CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2 1 3.457 6 4 0 -27.8673714425531 2871508 CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=C(C=C4)OC)OC)OC 1 4.504 1 5 -10.6092570537545 2871449 C1=CC=C(C=C1)CN2C(=O)C3C4C=CC(C3C2=O)C4=C(C5=CC=CC=C5)C6=CC=CC=C6 1 4.662 1 2 -2.04643527512019 2871373 C1CC(OC1)CNC(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CO4)C(F)(F)F 1 3.475 4 3 0 -14.3797185907607 2871359 CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=CC(=N2)C)C 1 2.028 4 3 0 -18.7039809263615 2871322 C1CCC2=C(C1)C3=CC=CC=C3N2C(=O)CN4CCOCC4.Cl Cl- 1 3.19 2 2 -2.26574387069162 2871292 CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NCCS2 1 2.209 3 3 -21.2249948125979 2871272 CCC(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O 1 2.595 1 3 -4.36684459723245 2871263 CC(CCCC(C)(C)O)CC1C2=C(CCCC2=O)OC3=C1C(=O)CCC3 1 3.657 0 4 -17.5588709873737 2871198 CC1=CC=C(C=C1)C2=NNC(S2)C3=CC=C(C=C3)OC 1 4.083 2 1 -1.05039303922338 2871182 CCOC(=O)CCCC1=C(N=C(S1)N)C2=C(NC(=O)N2)C.Br Br- 1 0.553 4 3 0 -17.9702847466093 2871180 C1CC2C(C1)C3CC2CC34NNC(=S)NN4 1 1.3 4 0 0 -2.19178666457398 2871098 COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3 1 3.572 3 4 0 -4.2663259517282 2871080 CC1=NC(=C(C(=C1)Cl)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C.Cl Cl- 1 3.636 2 1 -0.178037018037495 2871058 C1=CC=C(C=C1)S(=O)(=O)NN=CC2=COC3=C(C2=O)C=C(C=C3)Cl 1 2.461 2 4 2.13327889661617 2871036 COC1=CC(=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4)[N+](=O)[O-] 1 2.021 2 5 0 1.06552243255491 2871024 COC1=CC(=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C45CC5)[N+](=O)[O-] 1 1.651 2 5 0 -1.39227541954287 2870988 CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OC 1 2.612 4 4 0 -1.28692055571454 2870987 CC1=CC=C(C=C1)C2=NNC(S2)C3=CC(=C(C=C3)OC)OC 1 4.067 2 2 -5.42287934128845 2870979 COC1=CC=C(C=C1)N2C(=O)C3CC=C(CC3C2=O)Cl 1 2.228 1 3 -2.31069733255926 2870975 CC1=CC=C(C=C1)NC(=O)CN2C(=O)C3CC=C(CC3C2=O)Cl 1 1.791 2 3 0 -8.31813870741537 2870966 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC5=C4N=CC=C5 1 1.873 2 2 0 2.59484216416882 2870963 C1C=C(CC2C1C(=O)N(C2=O)CC(=O)NCC3=CC=CC=C3)Cl 1 1.311 2 3 0 -13.6121365463018 2870960 C1CCC(CC1)C(C2=CC=C(C=C2)F)(C(CN3CCOCC3)C4=CC=CC=C4)O.Cl Cl- 1 4.874 1 2 -2.55550847092182 2870951 CC1=C2C=CC=C(C2=NC=C1)N3C(=O)C4C5CC(C4C3=O)C=C5 1 2.359 2 2 2.51060868229328 2870946 C1C=C(CC2C1C(=O)N(C2=O)CN(CC3=CC=CO3)CN4C(=O)C5CC=C(CC5C4=O)Cl)Cl 1 2.024 3 5 0 -4.53890399999943 2870942 C1CNCC(C2=CC=CC=C21)C3=CC=CC=C3.Cl Cl- 1 3.115 1 0 -5.6426596670124 2870941 CC1=CC=C(C=C1)NCN2C(=O)C3CC=C(CC3C2=O)Cl 1 2.594 2 2 -5.9666082669824 2870929 CC1(CC(CCO1)(CC(=O)O)C2=CC=CC=C2OC)C 1 2.202 0 4 -13.3932013829753 2870925 C1CN=C(C2=CC=CC=C21)C3=CC=CO3.Cl Cl- 1 2.964 1 1 1.2920912443982 2870907 C/C(=C/1\C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)/N(C)C 1 3.139 4 3 0 -5.77653664267385 2870896 C1COCCN1CCCNC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 1 1.608 4 3 0 -6.8545341589139 2870880 C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C(=O)NCC5=CC=CC=N5 1 2.787 4 2 -3.40275161556161 2870878 CC1=CC=C(C=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4 1 4.216 4 3 0 -4.71393053316193 2870872 C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C(=O)NCC5=CC=C(C=C5)F 1 3.928 3 2 -0.486120996648593 2870864 C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=CC6=CC=CC=C65)[N+](=O)[O-] 1 4.638 4 3 0 -5.59996849349077 2870860 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NNC(=O)C2CCCO2 1 1.775 2 4 0 -14.175047582975 2870846 C1COCCN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.086 3 3 -2.96659232288322 2870842 CNC(=O)C(=O)NC1=NC(=CS1)C23CC4CC(C2)CC(C4)C3 1 2.139 3 2 -0.161783815498472 2870838 C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C(=O)NCC5=CN=CC=C5 1 2.572 4 2 -3.72088742252315 2870836 CC(=O)N(C)C1=C(C(=O)C2=CC=CC=C2C1=O)N3CCOCC3 1 0.247 2 4 0 -3.92898756863751 2870823 C1CC(OC1)C(=O)NNC(=O)COC2=CC=CC3=CC=CC=C32 1 1.283 2 4 0 -16.6786148606601 2870810 C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC6=CC=CC=C6C=C5)Br 1 5.492 3 1 -0.411505838253281 2870770 C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])NC(C3=CC=CC=C3)C4=CC=CC=C4 1 4.578 3 3 -4.82311200101629 2870759 C1=CC(=CC=C1CC(=NOC(=O)CC2=CC=C(C=C2)Cl)N)[N+](=O)[O-] 1 3.015 3 4 0 2.30400254384084 2870744 CC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)NC(=O)C 1 2.151 3 2 -3.7934124697588 2870733 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(N(C4=CC=CC=C4C3=O)C)O 1 2.004 4 4 0 -6.99216266977908 2870715 CC(=O)NC1=CC=CC=C1NC(=O)COC2=CC=CC3=CC=CC=C32 1 2.478 2 3 -8.97841043260479 2870711 C1=CC=C2C(=C1)C=CC=C2OCC(=O)ON=C(CC3=CC=C(C=C3)[N+](=O)[O-])N 1 3.059 3 5 0 0.77694436418455 2870707 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2)CN3CCN(CC3)C4=CC=C(C=C4)F 1 4.575 4 2 -3.11064473869328 2870693 CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2CCCO2 1 0.867 2 5 0 -19.1601622832628 2870684 C1=CC=C(C(=C1)C(=O)CC(=O)C2=CC(=CC=C2)F)O 1 3.118 0 3 4.16599219766523 2870665 C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])NC(C3=CC=CC=C3)C4=CC=CC=C4 1 5.351 3 2 -2.87955736413544 2870663 C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C(=O)NCC5=CC=NC=C5 1 2.572 4 2 -1.72200247288987 2870550 C1=CC=C(C=C1)COC(=O)NCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3 1 3.449 3 5 0 -14.6398864975411 2870544 C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC#N)C3=CC=CC=C3 1 4.271 4 0 -5.49920217680847 2870505 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=CO3)N=CC4=CC=CO4 1 3.095 3 3 -8.68017539404308 2870448 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-])OC.Br Br- 1 3.856 6 6 0 -8.44258045456765 2870457 COC1=CC(=C(C=C1)OC)N2C(=O)CC(C2=O)CC3=CC=C(C=C3)Cl 1 3.572 1 4 -1.59419674389186 2870485 CCOC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)CCN3CCOCC3 1 2.846 3 4 0 -12.3931225294721 2870482 COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)CCN3CCOCC3 1 2.497 3 4 0 -12.4928984969496 2870479 CC(C)NC(C)C(=O)C12CC3CC(C1)CC(C3)C2.Cl Cl- 1 3.132 1 1 -1.7050443729456 2870476 CCOC1=CC2=C(C=C1)N=C(S2)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)OC 1 4.009 2 4 -1.91197987764179 2870470 COC(=O)CN1C(C2=C(C=CC(=C2)Br)N=C1CN3CCOCC3)C4=CC=CC=C4 1 2.931 3 3 -8.15616569802766 2870418 COC(=O)CN1C(C2=C(C=CC(=C2)Br)NC1=O)C3=CC=CC=C3 1 2.973 2 3 -8.83355802655238 2870413 C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)NC(=O)C3=CC=C(C=C3)Br)NCC(=O)NN 1 3.623 4 2 -8.96982292201653 2870407 C1COCCN1CC2=NC3=C(C=C(C=C3)Br)C(N2CC(=O)NN)C4=CC=CC=C4 1 1.586 5 2 0 -7.37038662037815 2870397 COC(=O)CNC(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Br)NC(=O)CCN3CCOCC3 1 3.162 3 4 0 -12.1267306005989 2870396 C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Br)N=C(N2CC(=O)NN)C4=CC=CC=C4 1 3.557 4 1 -4.54475981483861 2870394 CCC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)N 1 2.433 3 2 -9.94920427307906 2870391 CC(=O)NC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2)NCC(=O)OC 1 2.555 2 3 -10.7653101107467 2870390 CN1C=CN=C1C(C2=CC=CC=C2OC)O 1 1.214 2 2 0 -7.19946532744723 2870379 CC(C)(C)C1CCC2=C(C1)C(=O)C3=CC=CC=C3N2 1 3.947 1 1 -11.9707172486415 2870369 C1=CC=C(C=C1)CN2C=CN=C2C(C3=CC=CC=C3)O 1 2.814 2 1 -8.50567087603962 2870351 C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Br)N=C(N2CC(=O)NN)C4=CC(=CC=C4)Cl 1 4.221 4 1 -0.722015800270478 2870346 CCOC1=CC=C(C=C1)C(C2=NC=CN2CC3=CC=CC=C3)O 1 3.146 2 2 -7.57612286938842 2870345 C1CCC(CC1)NC2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-] 1 3.87 3 3 -7.9116259778471 2870331 C1COCCN1CCC(=O)NC2=C(C=C(C=C2)Br)C(C3=CC=CC=C3)NCC(=O)NN 1 1.152 5 3 0 -8.78732483598409 2870320 C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)N)NCC(=O)NN 1 1.343 4 1 0 -3.79336684591046 2870319 CC1=CC2=C(C=C1)N=C(N(C2C3=CC=CC=C3)CC(=O)OC)C 1 2.975 2 2 -8.95583419200966 2870318 C1=CC=C2C(=C1)N=CN2S(=O)(=O)C3=CC=CS3 1 2.489 2 2 -6.57311410355678 2870302 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N.Br Br- 1 2.286 4 4 0 0.749035996736709 2870299 CN1CCN(CC1)S(=O)(=O)C2=CC=CS2 1 0.69 2 2 0 -10.8405710900922 2870287 C1COCCN1CC(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Br 1 2.024 3 3 -18.4505938153533 2870276 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.24 2 2 -15.2207879263719 2870271 C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Br)NC(=O)N2CC(=O)NN 1 1.628 4 2 0 -8.04777894890287 2870269 C1CC2=C(C1)N=C(C(=C2)C#N)SCC3COC4=CC=CC=C4O3 1 4.166 2 2 -11.661782993336 2870264 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NCC4=CC=CO4 1 2.165 2 4 -14.451324242451 2870262 CCOC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)OCC 1 3.896 2 4 -9.81012660335013 2870257 CN1C2=CC=CC=C2C(=O)C(C1=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.3 2 4 -4.5732421958946 2870232 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O 1 4.27 2 3 0.433201956347348 2870223 CC(C)NCC(=O)NC12CC3CC(C1)CC(C3)C2.Cl Cl- 1 1.713 2 1 0 -8.1609832723506 2870211 CC1=CC(=CC(=C1)CC2CC(=O)N(C2=O)C3=C(C=CC(=C3)OC)OC)C 1 3.88 1 4 -4.72859809960176 2870205 C1=CC=C(C=C1)C=NN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4 1 4.299 3 1 -4.5841725051921 2870146 COC1=C(C=C(C=C1)C2(CCCC2)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)OC 1 3.994 1 6 0 -21.3593074492284 2870196 CC1=NC2=C(C=C(C=C2)Br)C(N1CC(=O)NN)C3=CC=CC=C3 1 1.892 4 1 0 -7.1531774625162 2870190 C1=CC=C(C=C1)C=NNC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.066 3 2 -10.3801741915761 2870186 C1CCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-] 1 3.465 3 3 -7.68104364296072 2870140 COC1=C(C=C(C=C1)C(=O)NCC2C3=CC=CC=C3CCO2)OC 1 2.561 1 4 -17.8550052417706 2870139 COC1=CC=C(C=C1)C(=O)NCC2C3=CC=CC=C3CCO2 1 2.577 1 3 -13.2970011013083 2870138 C1COC(C2=CC=CC=C21)CNC(=O)CC3=CC=CC=C3 1 2.628 1 2 -15.6017500190684 2870135 CCC1(CC2=C(CO1)SC3=C2C(=O)N(C(=S)N3)CC4=CC=CC=C4)C 1 4.575 2 2 -10.7722534513551 2870130 CC1C(NC(C(C1=O)C)C2=CC(=CC=C2)Br)C3=CC(=CC=C3)Br 1 5.194 1 1 -1.41774880646382 2870060 CC1(C(C(NC(C1[N+](=O)[O-])C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)[N+](=O)[O-])C 1 3.985 3 6 0 -0.212366117942222 2870059 CC1(C(C(NC(C1[N+](=O)[O-])C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)[N+](=O)[O-])C 1 3.534 3 6 0 2.08047420234107 2870046 CCN1CCCC1CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.966 2 4 0 -16.149676801271 2870044 CN1C2CCC1C=C(C2)N(CCC3=CNC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)Cl.Cl Cl- 1 4.744 3 1 -1.21782253471156 2870036 CN1C2CCC1C=C(C2)N(CCC3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C4.Cl Cl- 1 3.754 2 3 -5.76201681776281 2870018 CN(C)CCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OC.Cl Cl- 1 3.351 3 3 -5.82905811902873 2869993 CCOC1=C(C=CC(=C1)C2CC(=O)C3=C(N2)C=CC4=CC=CC=C43)O 1 3.923 1 3 3.66099542088666 2869987 COC1=C(C=CC(=C1)C2CC(=O)C3=C(N2)C=CC4=CC=CC=C43)O 1 3.575 1 3 4.51575416291009 2869984 COC1=C(C=C(C=C1)C2CC(=O)C3=C(N2)C=CC4=CC=CC=C43)OC 1 3.8 1 3 -1.40035592038139 2869943 COCCNCCOCCOC1=C(C=C(C=C1)CC=C)OC 1 2.146 1 4 -9.247061536463 2869945 CC1=NN=C(S1)SCC(=O)N2C3=CC=CC=C3C(CC2(C)C)(C)C4=CC=CC=C4 1 4.552 3 1 -22.3673907124986 2869917 CC1=CC(NC2=C1C=C(C=C2)OC(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)(C)C 1 5.245 2 4 -13.6987748472977 2869867 CCOC1=NC(=NC2=C1C=CC=C2C)N=C(N)N 1 1.585 5 1 0 -0.17788486894102 2869827 CC1CC(C2=CC=CC=C2N1C(=O)C3=CC=CO3)N(C4=CC=CC=C4)C(=O)C5=CC=CO5 1 4.472 2 4 -7.17926692489456 2869792 CC1=CN(C(=N1)C)C(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O 1 1.283 3 3 0 -7.99906874312371 2869725 CCCCNCCOCCOC1=C(C=C(C=C1)CC=C)OC 1 3.605 1 3 -8.5452045126347 2869656 COCCCNCCOCCOC1=C(C=CC=C1OC)OC 1 1.184 1 5 0 -4.23518316742907 2869648 CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CS3)C(=O)OC(C)C 1 2.578 1 3 -36.9441521117068 2869586 CC1=NC2=CC=CC=C2C3=C1CC(O3)C(C)(Cl)Br 1 3.645 1 1 2.6604261031146 2869583 CCOC(=O)N1C(CC(=N1)C2=CC=CC=C2)(C(F)(F)F)O 1 2.777 2 3 1.31413960404555 2869578 CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=O)C2CCCO2 1 1.526 2 4 0 -12.9185068495255 2869572 C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CC4=CC=CS4 1 2.751 2 2 -9.76183590454785 2869566 C1C2CC3CC1CC(C2)(C3)C4=NC(=NO4)C5=CC=CC=C5 1 4.036 2 1 5.11112300850907 2869544 CC(C)C(=O)N1C(C2CCCCC2=N1)(C(F)(F)F)O 1 2.455 2 2 -5.01438990812415 2869543 CCOC(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C 1 3.059 3 2 -10.0269671411696 2869474 COC1=CC=C(C=C1)C(=O)NNC2=C(CCC2)C(=O)C(F)(F)F 1 2.46 2 3 -6.76188842493401 2869470 CC1=NN=C(C2=CC=CC=C12)OC3=CC=C(C=C3)[N+](=O)[O-] 1 3.396 3 3 -1.18919009338815 2869441 COC1=C(C=C(C=C1)C=C2C(=O)N3C(=C(N=C3S2)C4=CC=CC=C4)C5=CC=CC=C5)OC 1 6.097 2 3 -7.20413635598813 2869420 C[NH+](C)CC1=C(OC2=CC=CC=C2C1C3=CC=CC=C3)C4=CC=C(C=C4)OC.[Cl-] Cl- 1 3.447 1 2 -1.73487544641192 2869415 C1C(=NN(C1(C(F)(F)F)O)C(=O)CC2=CC=CC=C2)C3=CC=NC=C3 1 2.334 3 2 -4.33866667273267e-002 2869413 C1C2CC3CC1CC(C2)(C3)C4=NC(=NO4)C5=CC=CC=N5 1 3.314 3 1 3.23450664710647 2869404 C1CC(OC1)C(=O)NNC(=O)COC2=CC=CC=C2Cl 1 1.039 2 4 0 -17.3333187262744 2869403 C1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.919 3 4 0 -6.88295564957698 2869389 C1C2CC3CC1CC(C2)(C3)C4=NC(=NO4)C5=CN=CC=C5 1 2.885 3 1 2.38574207504312 2869379 CC1=CC(=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C)C 1 3.827 3 0 -5.32777540809564 2869374 CCC1(CC2=CC=CC=C2C(=N1)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C 1 3.148 4 1 -10.9529829697737 2869371 CC1=CC2=C(C=C1)N=C(C3=C2OC(C3)C(C)(Cl)Br)C 1 4.131 1 1 4.12469178173699 2869367 COCCNC(=O)COC1=CC=CC=C1Cl 1 1.406 1 3 0 -12.03520657064 2869357 CC1CC2(CCCCC2)N(C3=C1C4=CC=CC=C4C=C3)C(=O)C 1 4.561 1 1 -1.82485906954652 2869337 C1CC(OC1)C(=O)NNC(=O)C2=CC=CC=C2Cl 1 1.204 2 3 0 -16.078356432155 2869307 CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.372 3 4 0 -2.35130358611536 2869295 CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CCCC2=CC=CC=C2 1 2.723 2 2 -2.80344213509185 2869290 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 2.988 3 3 -4.78599956355685 2869288 C1CC(OC1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 1.204 2 3 0 -12.8741131509804 2869286 C1CC(=C(C1)NNC(=O)C2=CC(=CC=C2)Cl)C(=O)C(F)(F)F 1 3.141 2 2 -3.8760087716452 2869281 COC1=CC(=C(C=C1)OC)NC(=O)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3 1 1.996 3 5 0 -10.0589274835517 2869278 C1=CC=C(C(=C1)C(=O)ON=C(C2=CN=CC=C2)N)[N+](=O)[O-] 1 1.13 4 4 0 -3.94577856353491 2869273 CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)OCC 1 1.77 2 3 0 0.245993944297064 2869261 CC(C)C1C(NC(CC1(C2=CC=C(C=C2)F)O)C3=CC=CC=C3)C4=CC=CC=C4.Cl Cl- 1 5.243 1 1 10.5767302086671 2869252 CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CCC2=CC=CC=C2 1 2.934 2 2 -0.59293596589388 2869242 CC(C)(C)OC(=O)NNC(=O)C12CC3CC(C1)CC(C3)C2 1 2.673 2 3 -8.36199066014876 2869213 C1=CC(=CC=C1CC(=NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N)[N+](=O)[O-] 1 2.21 4 6 0 4.65395754153891e-002 2869210 CC(C)NC(=O)C(=O)NNC(=O)C12CC3CC(C1)CC(C3)C2 1 1.178 3 3 0 -12.9816219222031 2869176 CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CN=CC=C2 1 1.292 3 2 0 -2.54257824370288 2869174 CC1CC2(CCCCC2)N(C3=CC=CC=C13)C(=O)C 1 3.653 1 1 -2.84064207579595 2869173 CC1=NN=C(C2=CC=CC=C12)SC3=NC4=CC=CC=C4O3 1 4.127 3 1 -1.0581648761236 2869169 CCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)NC3=O 1 1.712 3 3 0 -5.58973602507594 2869149 C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)Cl)Br 1 4.121 2 2 1.06990729255247 2869135 CC1CC2(CCCCC2)N(C3=C1C=CC4=CC=CC=C43)C(=O)C 1 4.561 1 1 -1.04487081897444 2869115 CNC(=S)N(CC1=CC=C(C=C1)OC)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC 1 3.312 3 5 0 -12.2100603558397 2869109 COC1=CC=C(C=C1)CCN(C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC)C(=O)C4=CC(=CC=C4)F 1 4.017 2 5 0 -4.55080180556327 2869108 CCNC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)F 1 3.795 3 4 0 -8.98407385784368 2869103 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC)NC3=CC(=CC=C3)F 1 3.646 3 3 -0.399833319101026 2869101 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC)NC3=CC=C(C=C3)F 1 3.646 3 3 -1.47896195926622 2869088 CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.402 3 5 0 -13.1841284900832 2869087 CNC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)F 1 3.446 3 4 0 -9.00661841404253 2869084 CNC(=NC)SC1CC(=O)N(C1=O)C2=CC=CC=C2 1 1.531 3 2 0 -4.04038332716804 2869082 CN=C(NC1=CC=C(C=C1)C(=O)OC)SC2CC(=O)N(C2=O)C3=CC=CC=C3F 1 3.169 3 4 0 -4.67134565085623 2869079 CNC(=S)N(CC1=CC=C(C=C1)OC)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC 1 3.44 3 4 0 -9.65818661923955 2869040 CNC(=S)N(CCC1=CC=C(C=C1)S(=O)(=O)N)C2CC(=O)N(C2=O)C3=CC=CC=C3F 1 2.705 4 4 0 -14.4398038268693 2869035 CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC=NC=C3 1 2.225 3 3 -4.95125974430629 2869028 CN=C(NC1=C(C=CC(=C1)Cl)Cl)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC 1 4.292 3 4 0 -2.84155004672528 2869024 CCNC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)OC 1 3.573 3 5 0 -10.1089170924531 2869021 CN=C(NC1=CC=CC=C1OC)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC 1 2.947 3 5 0 -8.10917246991191 2869020 CCNC(=S)N(CC1=CC=C(C=C1)OC)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OCC 1 4.138 3 4 0 -9.91548974966773 2869016 CCN=C(NC1=CC2=C(C=C1)OCO2)SC3CC(=O)N(C3=O)C4=CC=CC=C4F 1 3.43 3 4 0 -4.94120564376294 2868989 CNC(=S)N(CCC1=CC(=C(C=C1)OC)OC)C2CC(=O)N(C2=O)C3=CC=CC=C3 1 3.761 3 4 0 -13.329061426435 2868985 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC)NC3=CC4=C(C=C3)OCO4 1 3.208 3 5 0 -5.14740854999335 2868967 C1CCCN(CC1)CC(=O)NC2=C3C(=CC=C2)OCO3.Cl Cl- 1 2.098 2 3 -3.4825437826553 2868960 C1CN(CCN1CC2=CC=CC=C2Cl)N=CC3=CC(=CC=C3)[N+](=O)[O-].Cl Cl- 1 3.663 4 2 0.92210605995284 2868958 CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)F 1 1.981 0 6 0 -11.0136603956969 2868950 COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4OC3=O)C5=C(N2)C=CC6=CC=CC=C65 1 5.404 1 3 -9.08684735485723 2868949 C1COCCN1C(=O)CN2C(=O)C3CC=C(CC3C2=O)Cl 1 -0.379 2 4 0 -12.1300286549623 2868948 CCCN(CCC)CC(=O)NC1=C2C(=CC=C1)OCO2.Cl Cl- 1 2.469 2 3 -5.3012111691518 2868945 COC1=CC=CC=C1CC2CC(=O)N(C2=O)C3=CC=CC=C3 1 2.924 1 3 -4.65693993510758 2868934 CN1C(=O)CC2(C1=O)CC(=O)N(C2)CC3=CC=CC=C3 1 0.106 2 3 0 -1.8235485394949 2868930 CC(=O)OC1=CC=CC=C1C(=O)OCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.891 2 6 0 -8.88202128743593 2868929 CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3Cl 1 3.016 2 2 -4.97220384995235 2868921 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4 1 4.207 4 4 0 -6.16179599609844 2868897 CC1=NNC(=O)C1CCC(=O)NN=CC2=C(C=CC=C2Cl)Cl 1 1.99 4 2 0 -20.2947678921529 2868890 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2[N+](=O)[O-])C)O 1 0.606 2 5 0 -14.7239165238067 2868878 CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)F)C3=CC=C(C=C3)Br)O 1 3.242 1 3 -16.3945280242473 2868863 CCOC(=O)C1=CC=C(C=C1)NC2=CC(=NC(=C2C(=O)OCC)C)C.Cl Cl- 1 3.203 2 4 -4.89644919955215 2868856 CCCCC(CC(COCC(C)C)O)C1=NNC(=S)N1CC=C 1 3.872 3 2 -15.4716629951647 2868852 CCOC(=O)C(C(C)C#CCN1CCCCC1)C(=O)OCC 1 3.02 1 4 -3.40958652199672 2868839 CCCCC(CC(COCCC)O)C1=NNC(=S)N1C2=CC=CC=C2 1 4.513 3 2 -9.62260692238447 2868828 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCCO4 1 2.553 3 5 0 -6.07603435138733 2868824 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)Br)O 1 2.931 2 5 0 -17.4168433559898 2868818 CCCCC(CC(COCCC)O)C1=NNC(=S)N1CC=C 1 3.553 3 2 -13.9354349240437 2868803 C1=CC=C(C(=C1)C(=O)ON=C(C2=NON=C2N)N)F 1 0.617 5 3 0 -5.16208990551668 2868777 CCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CN=CC=C4 1 2.872 3 2 -29.5061438400593 2868775 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)C3=CC=C(C=C3)O)O 1 2.046 1 4 -16.3353913600806 2868739 CN1C2=CC=CC=C2N(C1=N)CC(=O)O.Br Br- 1 0.64 3 2 0 -7.73016195578301 2868738 C1CCN(CC1)CCC(=O)C2=CC3=C(C=C2)OCCO3.Cl Cl- 1 2.527 1 3 -2.29114557250175 2868736 CC1(CC2=C(C(N1)(C)C)SC(=C2C#N)N=CN(C)C)C 1 2.072 4 0 -13.4415502258221 2868664 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)O)O 1 1.812 2 7 0 -21.1736249026578 2868636 C1=CC=C(C=C1)NC2=C(C(N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)Br)CC(=O)O 1 4.598 2 3 -7.80923432710801 2868629 CC1=CC(=C(C=C1)C)NC(=S)N2CCCCCC2 1 5.394 2 0 -10.8378727068731 2868607 C1COCCN1C2=C(C=C(C3=NSN=C23)Br)[N+](=O)[O-] 1 2.45 4 3 0 -2.34303481661949 2868601 CC1=CC(=O)N2C(=NC=N2)N1COCCO 1 -0.676 4 3 0 -8.10193893831126 2868592 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=CC(=NN3)C4=CC=CC=C4 1 4.02 6 1 0 -1.67594006404833 2868572 CCOC(=O)C1CCC2=NC3=CC=CC=C3C(=O)N12 1 1.481 2 3 0 -12.9337173455453 2868567 C1=CC(=CC=C1C(CC(=O)O)N)F.Cl Cl- 1 -1.579 1 2 0 -4.30830100968112 2868561 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)O)Cl.Br Br- 1 2.888 3 2 -4.68736641236384 2868555 C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=CC=C3 1 2.727 0 5 -13.195697577111 2868545 CCN(CC)C=NC1=C(C2=C(S1)C(NC(C2)(C)C)(C)C)C#N 1 2.769 4 0 -13.2505471531717 2868543 CC(C)(C)C1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=N3 1 3.982 4 0 5.76161553188446 2868540 CCC(CC(C)(C)O)C1=NNC(=S)N1CC=C 1 2.453 3 1 -13.0797729285501 2868538 C1CN(CCN1CC2=CC=CC=C2)N=CC3=CC=CC=C3C(F)(F)F.Cl Cl- 1 4.046 3 0 4.10938725711225 2868535 CC1=CC(=C(C=C1)C)C(=O)CN2C3=CC=CC=C3N=C2NCCO.Br Br- 1 3.118 3 2 -4.32135135255544 2868527 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NCCCN3CCOCC3 1 1.87 2 4 0 -11.0873096614732 2868516 CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.387 2 7 0 -23.3539635484158 2868513 C1=CC(=CC=C1C(CC(=O)O)N)Br.Cl Cl- 1 -1.037 1 2 0 -4.654839089661 2868512 C1=CC(=CC=C1C2C3=C(N=CNC3=O)OC4=C2C(=O)NC=N4)Cl 1 1.454 4 3 0 -6.01882508844863 2868511 CC1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC=C(C=C3)OC 1 2.758 1 4 -17.2501250616456 2868510 C1CCN(CC1)CC(=O)NC2=C3C(=CC=C2)OCO3.Cl Cl- 1 1.641 2 3 0 -3.4825437826553 2868492 CCOC1=CC=C(C=C1)C(CN2C3=CC=CC=C3N(C2=N)CCN4CCCCC4)O.Cl Cl- 1 3.62 4 2 -2.32979025639128 2868490 CC(C)(C)C1=CC(=CC2=CC(=C(C=C2)OC)OC)C=C(C1=O)C(C)(C)C 1 5.446 0 3 -3.61495002410762 2868468 CC1(CC(=CC(=O)C1)NCCN2CCN(CC2)C(=S)NCC=C)C 1 2.435 4 1 -28.1719582319714 2868467 CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(O4)C5=CC(=CC=C5)Cl 1 4.336 3 2 1.3245481849187 2868465 CC1=NNC(=O)C1CCC(=O)NN=CC2=CC=CC=C2 1 0.661 4 2 0 -19.523026120196 2868457 CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3)O 1 2.189 2 5 0 -20.3431000083981 2868447 CN1C2=CC=CC=C2N(C1=N)CC(C3=CC=CC=C3)O.Cl Cl- 1 2.232 3 1 -2.75192787561823 2868444 CCN(CC)C1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)C)(C)O)C(=O)C 1 1.688 1 4 0 -14.7949368624428 2868443 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2CCCO2 1 1.067 1 5 0 -10.9668966078196 2868441 CC(C)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCCCC2 1 3.408 2 4 -10.6170442337392 2868426 CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCC(C2)C(=O)N)N 1 0.874 3 4 0 -5.68088338124076 2868425 CC1=NNC(=O)C1CCC(=O)NN=CC2=CC=CO2 1 5.6e-002 4 3 0 -19.6959169784781 2868420 CN(C)/C=C\1/C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 1 2.625 4 3 0 -5.9771320870219 2868411 CN1C2=CC=CC=C2N(C1=N)CC(C3=CC=CC4=CC=CC=C43)O.Cl Cl- 1 3.14 3 1 -0.692542440293033 2868410 CCN(CC)C1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OCC)(C)O)C(=O)OCC 1 2.635 1 6 0 -16.4619103578263 2868376 C1CN(CCN1CC2=CC=CC=C2Cl)N=CC3=CC=CC=C3F.Cl Cl- 1 3.974 3 0 3.94092341783174 2868371 CCOC1=CC=CC=C1NC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N 1 2.279 5 2 0 -17.8006009778003 2868360 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=NNC(=C3)C45CC6CC(C4)CC(C6)C5 1 4.911 6 1 0 -2.46999012464524 2868359 CC(C)COCC1CC2(CC(OC2=O)(C)C3=CSC(=N3)N)C(=O)O1 1 1.699 2 5 0 -2.67809477085849 2868356 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CCO)O 1 0.172 1 4 0 -16.6108904148159 2868352 COC1=CC=CC(=C1)C=NNC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4 1 4.24 4 2 -2.36035349656169 2868335 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)OC)C3=CC=CC=N3)O 1 1.66 2 4 0 -16.6559206214879 2868311 C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C(C3=CC=CC=C3)O 1 2.109 0 6 -14.2260006959375 2868306 CCOC(=O)C(C1C2=CC3=C(C=C2C(=O)O1)C(OC3=O)C(C(=O)OCC)C(=O)OCC)C(=O)OCC 1 2.074 0 12 0 -6.87601838303843 2868302 CS(=O)(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)C3=CC=CC=C3)O 1 1.828 1 4 0 -11.2785743921515 2868300 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CCCO)O 1 0.234 1 4 0 -17.2593670073755 2868280 CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)Br 1 2.524 0 6 -11.3601984756768 2868276 CCOC1=CC=CC=C1C=NN2CCN(CC2)CC3=CC=CC=C3.Cl Cl- 1 3.437 3 1 2.44848921001054 2868274 C1=CC=C2C(=C1)C=CC3=C2C4=C(C(N3)C5=CC=C(C=C5)Cl)C(=O)OC6=CC=CC=C64 1 6.085 1 2 -6.85188245512627 2868262 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)O 1 3.785 1 3 -17.2981388492336 2868235 COC1=CC=CC=C1C(=O)OCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.107 2 5 0 -10.0313535094687 2868214 CCOC(=O)C1(C=C(C(=O)N1C2=CC=CC=C2)NC3=CC=CC=C3)C 1 3.116 2 3 -1.99471518115682 2868212 C1CN2C3=CC=CC=C3N(C2=N1)CC4=CC=C(C=C4)Cl.Cl Cl- 1 3.431 3 0 -2.01931675305336 2868210 CC1=CC(=CC=C1)CC2CC(=O)N(C2=O)C3=C(C=C(C=C3)C)Br 1 4.661 1 2 -2.94417808366604 2868207 CN(C)CCCC(=O)C1=CC2=C(C=C1)OCO2.Cl Cl- 1 1.913 1 3 0 -4.4174790330193 2868197 CC1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)CC3=CC=C(C=C3)C 1 4.095 1 2 2.08350289605721 2868185 CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=N3)O 1 1.571 3 5 0 -17.3563908583299 2868184 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Br)O 1 3.701 1 3 -14.6498212164293 2868179 CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br)O 1 2.931 2 5 0 -20.7523306076701 2868155 C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC=C3)O)CC(=O)O 1 2.222 1 4 -11.0342853670108 2868143 CCOC(=O)C1(C=C(C(=O)N1C2=CC=C(C=C2)C)NC3=CC=C(C=C3)C)C 1 4.088 2 3 -2.11004532781055 2868141 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Cl)C3=CC=CC=N3)O 1 2.341 2 3 -14.4209557217569 2868134 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br)O 1 2.931 2 5 0 -18.5662176943733 2868128 CCOC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4OC3=O)C5=C(N2)C=CC6=CC=CC=C65 1 5.753 1 3 -9.85307050656525 2868102 CCCCC1=CC2=C(C=C1NC(=O)CN3CCCCC3)OCCO2.Cl Cl- 1 3.514 2 3 -7.74923486108783 2868094 CN1C2=CC=CC=C2N(C1=N)CC(C3=CC=CS3)O.Cl Cl- 1 2.078 3 1 -1.32941698716359 2868083 CC1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)Br)N 1 5.024 4 0 0.272160896958946 2868079 CCCCCCC1CC(C(=O)O1)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 4.148 2 5 0 -11.2848903027232 2868074 CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Br)C3=CC(=CC=C3)Br)O 1 3.785 1 3 -15.4386594071541 2868073 CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CCC#N)F 1 1.873 3 1 0 -2.12431867805788 2868053 CC(C)CCOCC1CC2(CC(OC2=O)(C)C3=CSC(=N3)N)C(=O)O1 1 2.088 2 5 0 -3.09245748184252 2868037 C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)NN 1 1.913 4 1 0 -0.140820149188368 2868020 COC1=C(C=C(C=C1)C=NNC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4)O 1 3.998 4 3 0 0.105190595228583 2867943 C1CCC(CC1)C2C3CCCN3CCN2CC4=CC(=C(C=C4)F)F 1 4.979 2 0 6.32473763800005 2867933 C1CCC(CC1)C2C3CCCN3CCN2CC4=CC(=CC=C4)F 1 4.773 2 0 7.06092401069471 2867853 CC1=CC=CC=C1N2C(=NN=N2)C(C3=CC=CC=C3)N(C)CC4=C(C(=C(C=C4)OC)C)OC 1 5.225 5 2 0 -7.91671787330668 2867844 CC1=CC=CC=C1N2C(=NN=N2)C(C3=CC=CC=C3)N(C)CC4=CC(=C(C=C4OC)OC)OC 1 4.723 5 3 0 -13.489389867171 2867696 CCOC(=O)C(C)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.796 1 7 0 -12.8818601052961 2867697 CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)N3CCN(CC3)CCC#N 1 2.914 4 2 -15.6033697844102 2867706 COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)OC 1 1.385 3 6 0 -16.1778580214119 2867709 C1CC(OC1)CNC(=S)NC2=CC=CC=C2 1 2.871 2 1 -11.9189416465299 2867713 CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)NC4=CC=CC=C4 1 4.951 2 4 -6.17949838543631 2867736 CCC1CCCCN1C(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 3.608 2 2 -10.2441000540697 2867735 CC1CN(CC(O1)C)C(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 2.233 2 3 -13.7266129727328 2867716 CC1=CC=CC=C1C2C3=CC=CC=C3CC(=O)N2 1 2.924 1 1 -6.65142765277516 2867680 CC1=CC(=NC2=CC=CC=C12)NN=CC3=CC=NC=C3 1 2.872 4 0 8.65171755410881 2867658 C1C2=CC=CC=C2C(NC1=O)C3=C(C=CC=C3Cl)Cl 1 3.767 1 1 -7.43659108046326 2867654 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3=CC=CO3)C(=O)CCC(=O)O 1 1.218 2 7 0 -14.2354788822058 2867648 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=CC=C4)OC)C(=O)C1)C 1 3.822 2 2 -23.5006779175047 2867647 CC1(C(=O)N(C(=O)N1)CC(COC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)O)C 1 1.572 3 6 0 -13.3189953433751 2867646 COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)NC5=CC(=C(C=C5)OC)O)O 1 3.491 3 8 0 -12.6434022908955 2867644 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NN=CC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5 1 5.404 7 1 0 -3.02468826078271 2867643 C1COCCN1NC(=O)C2=CC=CC=C2F 1 0.645 2 2 0 -9.03522125620398 2867623 CC1CCCN(C1)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl 1 4.192 2 3 -4.08920046252454 2867617 C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)C3=CC=C(O3)Br 1 3.401 2 2 -5.27155047631716 2867610 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=C(C(=CC=C4)OC)OC)C(=O)C1)C 1 3.805 2 3 -27.1285155819087 2867608 CC1=CC=C(O1)C=NNC(=O)C2COC3=CC4=CC=CC=C4C=C3O2 1 2.905 2 4 -2.25254708934954 2867573 C1CN(CCN1CC(=O)N2CCOCC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 1.461 4 4 0 -4.71279651371584 2867567 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C5=NC6=CC=CC=C6O5 1 3.137 2 3 11.0827989110519 2867550 CCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=CS5 1 4.072 2 4 -9.05701222243029 2867547 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3=CC=CO3)C(=O)CCC(=O)O 1 0.869 2 7 0 -13.4692557304978 2867539 COC1=CC=C(C=C1)C=NNC2=NC(=O)C(=NN2)C3=CC=CC=C3 1 2.649 5 2 0 -8.13490648581002 2867535 C1C(OC2=CC3=CC=CC=C3C=C2O1)C(=O)NN=CC4=CC=CC=N4 1 2.642 3 3 -0.683366786349905 2867529 CC1=C(C(NC(=O)N1)C2=CC=CO2)C(=O)OC 1 0.353 2 4 0 -30.1924664152437 2867524 CCOCC(COC1=C(C=C(C=C1)CC=C)OC)O 1 2.512 0 4 -12.6512729185118 2867522 CCN(CC(CN1C2=CC=CC=C2C3=CC=CC=C31)O)S(=O)(=O)C4=CC=C(C=C4)C 1 4.619 2 3 -3.3733960879011 2867514 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(SCC3=O)C4=CC=C(C=C4)OC 1 2.315 3 3 -18.6463099785024 2867507 CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3)O 1 3.372 3 3 -25.8364095266155 2867506 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=CC=C3F)C4=CC=CC(=C4)C(F)(F)F 1 3.793 3 2 12.1169113737223 2867498 COC1=CC=C(C=C1)NC2CC(=O)N(C2=O)C3=CC=CC=C3 1 2.318 2 3 -6.7003191443718 2867484 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC#N 1 1.066 3 3 0 -9.06622152668368 2867477 CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)OC2=CC=CC=C2 1 2.789 1 4 -11.105934883465 2867472 C1COCCN1CCNC2=CC(=O)CC(C2)C3=CC=CC=C3 1 1.501 2 2 0 -11.6976246353994 2867456 CC1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3 1 2.764 4 2 -2.62624505202235 2867455 CSC1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2 1 2.99 2 1 6.19920963639179e-002 2867435 CCCOC(=O)C(C)SC1=NNC(=O)NC1=O 1 0.832 3 4 0 -19.4779783563715 2867425 CCNC(=NCC)SC1CC(=O)N(C1=O)C2=CC(=CC=C2)OCC 1 2.561 3 3 -5.57667725610283 2867419 COC(=O)CCN(C1=CC=CC=N1)C(=O)C23CC4CC(C2)CC(C4)C3 1 3.055 2 3 -8.87400177831398 2867390 CC(=NN=C(N)SC1CC(=O)N(C1=O)C2=CC=CC=C2F)CCC3=CC4=C(C=C3)OCO4 1 3.406 4 4 0 -2.32996771280786 2867387 C1CN(CCN1CC(=O)N2CCOCC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 1.461 4 4 0 -4.70801489954684 2867385 CC1CCCN(C1)CC(COCC2COC3=CC=CC=C3O2)O.Cl Cl- 1 2.378 1 4 -4.93128099629725 2867378 C1=CC=NC(=C1)C(=NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N 1 1.559 4 4 0 -1.34012785485615 2867369 CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2)O 1 3.928 2 3 -24.0328244711933 2867365 CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.234 3 7 0 -17.9403414692428 2867353 CCC(CO)NC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2 1 2.081 3 3 -6.26515106235018 2867314 C1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-] 1 3.604 3 4 0 -4.94877622211095 2867309 C1=CC=C2C(=C1)C(=O)N(C2=O)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)NC5=CC=C(C=C5)O 1 2.062 3 6 0 -8.15292793390774 2867306 COC1=CC=C(C=C1)CN=C(NC2=CC=CC=C2)SC3CC(=O)NC3=O 1 2.892 3 3 -7.1715873713623 2867304 C1CCC(CC1)NC(=S)NCC(CO)O 1 1.465 2 2 0 -8.87602978393452 2867289 CC(C(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3N2)OC4=CC=CC=C4 1 4.374 3 2 -1.70570327944941 2867254 COC1=CC=C(C=C1)CN(C2CC(=O)N(C2=O)C3=CC=C(C=C3)F)C(=S)NC4=CC=CC=C4 1 5.516 3 3 -7.24045460906127 2867240 CC(C(=O)OCC1=CC=CC=C1)SC2=NNC(=O)NC2=O 1 1.543 3 4 0 -18.6493228132635 2867228 CC1=C(SC(=N1)N)C2=CSC(=N2)NC3=CC=CC=N3 1 1.9 5 0 0 13.2711002272406 2867224 COC1=C(C=C2C(NC(=O)CC2=C1)C3=C(C=CC=C3Cl)Cl)OC 1 3.734 1 3 -11.1702164059293 2867211 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3=CC=CO3)C(=O)CCC(=O)O 1 1.742 2 7 0 -13.7804900981926 2867198 CN1C2=CC=CC=C2[N+](=C1C3=CC(=CC=C3)[N+](=O)[O-])C.[Cl-] Cl- 1 3.807 3 2 -1.5392207233603 2867180 CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(=O)OC)C(=O)OC 1 1.168 1 5 0 -19.0832416951077 2867174 C1COCCN1C(=O)C2COC3=CC=CC=C3O2 1 0.704 1 4 0 -9.0943281932471 2867141 CC1=CC=C(C=C1)C2C3=CC=CC=C3CC(=O)N2 1 2.924 1 1 -7.15069613445014 2867132 CC1CCC(C(C1)OCC(CN2CCCC(C2)C)O)C(C)C.Cl Cl- 1 4.052 1 2 -1.32917919461307 2867130 COC1=CC(=CC(=C1OC)OC)COCC(CN2CCOCC2)O.Cl Cl- 1 0.9 1 6 0 -11.0895848235224 2867126 CCC(=O)N(CC1=CC=CO1)C2CC(=O)N(C2=O)C3=CC=CC=C3 1 1.707 2 4 0 -8.4813516594776 2867122 CC1CCCN(C1)CC(COCC2=CC3=C(C=C2)OCO3)O.Cl Cl- 1 2.266 1 4 -6.61925836165416 2867113 CCOC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3)O)OC)C 1 3.356 3 4 0 -25.9331430584359 2867109 CC(CCC=C(C)C)N(C=O)C(C)CCC=C(C)C 1 4.741 1 1 -2.36075276473077 2867080 COC1=C(C=C(C=C1)C=NNC(=O)C2C(CNC2=O)C3=CC=CC=C3)O 1 1.552 3 4 0 -6.81738661046642 2867076 C1CCN(CC1)C2=C(C=CC(=C2)N3CCNCC3)[N+](=O)[O-] 1 2.387 4 2 -3.18024759346135 2867068 CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC(C)C(=O)OC 1 3.994 0 5 -16.5221906142163 2867056 COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCOCC3 1 0.559 2 5 0 -2.75341824607538 2867055 CC(=O)N(CC1=CC2=C(C=C1)OCO2)C3CC(=O)N(C3=O)CCC4=CC=CC=C4 1 1.955 2 5 0 -6.84883097388526 2867027 C1C(OC2=CC3=CC=CC=C3C=C2O1)C(=O)NN=CC4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-] 1 4.464 3 6 0 -1.9675560549409 2867026 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)Br 1 4.519 2 2 -6.45204101207525 2867022 CN1C2=CC=CC=C2[N+](=C1C3=CC=CC=N3)C.[Cl-] Cl- 1 3.191 3 0 0.448439660277188 2867014 C1C(C(C(=O)N1)C(=O)NN=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4 1 4.344 3 3 -4.53253879241747 2866993 CC1=C2C(=CC(=C1)O)C(=O)C3=CC=CC=C3S2 1 3.766 0 2 3.3482245355306 2866981 CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N 1 1.163 2 4 0 -9.38590420411247 2866971 CC1=CC=CC=C1OCC(=O)ON=C(CC2=CC=C(C=C2)Cl)N 1 3.407 2 3 4.69563123024625 2866969 CCOC1=CC=CC=C1NC2=CC(=O)CC(C2)C3=CC=CC=C3 1 3.862 1 2 -10.4365585942322 2866968 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)N(CCC3=CC=CC=C3)C(=S)NC4=CC=CC=C4 1 5.854 3 2 -8.17311059264668 2866963 CCCC1=C(C(NC(=O)N1)C2=CC=CC=C2OC)C(=O)OCC 1 2.377 2 4 -22.0341522061514 2866938 C1C(C(C(=O)N1)C(=O)NN=CC2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl)C4=CC=CC=C4 1 4.344 3 3 -6.86167357945806 2866923 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC#N 1 0.194 3 3 0 -8.75498715898887 2866921 CC1=C(SC(=N1)N)C2=CSC(=N2)NC3=CC=CC(=C3)C(=O)C 1 2.251 4 1 9.35674050837514 2866920 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=C(C=CC(=C4)OC)OC)C(=O)C1)C 1 3.805 2 3 -25.8676145345979 2866904 CC(C)C1=C2CCCCC2NC(=O)N1 1 1.912 2 1 0 -9.11620037023451 2866900 C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3 1 3.739 3 2 -0.378325277461179 2866893 C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 1.965 3 4 0 -6.51292555159209 2866880 CC1C=C(CC2C1C(=O)N(NC2=O)C3=CC=CC=C3)C 1 2.094 2 2 -5.3358951756599 2866864 COC1=CC=C(C=C1)CCN(C2CC(=O)N(C2=O)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4 1 5.632 3 3 -8.74444211761871 2866858 CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)C 1 3.055 2 7 0 -16.8813932538739 2866856 CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=C(C=C3)OC)O 1 3.356 3 4 0 -26.0216786487513 2866850 CC1(CC(=O)C(=CNCCN2CCN(CC2)C(=S)NC3=CC(=CC=C3)Cl)C(=O)C1)C 1 3.657 4 2 -18.3562449002756 2866842 CC1=C(C=C(C=C1)C2=CC=C(O2)C=NNC(=O)C3C(CNC3=O)C4=CC=CC=C4)Cl 1 4.165 3 3 -5.72077163172216 2866814 CC1CCC2C(C1)NC3=C(C=CC=C3C2(C)C)C(=O)O 1 3.814 1 2 -8.7338064765098 2866811 CN1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-] 1 0.658 5 4 0 -4.66601148702295 2866807 CC1CCCC(N1CC(COCC2COC3=CC=CC=C3O2)O)C.Cl Cl- 1 2.813 1 4 -7.75509978149624 2866776 CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])N(C(=O)N(C2=O)C)C 1 1.507 7 4 0 -6.03014754048008 2866771 C1=CC(=CN=C1)C(=NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N 1 1.13 4 4 0 -2.43808533821948 2866752 C1CCN(CC1)CC(COCC2=CC3=C(C=C2)OCO3)O.Cl Cl- 1 1.947 1 4 0 -5.77942826221532 2866741 CC1(C(=O)N(C(=O)N1)CC(COC2=CC=CC=C2[N+](=O)[O-])O)C 1 0.857 3 6 0 -13.5138654805292 2866734 COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=C4 1 2.5 3 4 0 2.58504683852772 2866692 CC1=NC2=CC=CC=C2N=C1NN=C(C)C3=CC(=C(C=C3)OC)OC 1 3.045 4 2 -5.45248213861979 2866685 CCOC1=CC=CC(=C1)N2C(=O)CC(C2=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 1.101 3 5 0 -9.00747469045901 2866682 CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)C5=CC=C(C=C5)NC(=O)C 1 4.967 3 4 0 -5.74372450946123 2866668 C1CCN(CC1)CC(COCC2COC3=CC=CC=C3O2)O.Cl Cl- 1 2.058 1 4 -4.09145089685841 2866649 C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3 1 2.966 3 3 -2.32187991434203 2866648 CN(CC1=CC=CC=C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC 1 2.455 2 4 -5.5810791540805 2866638 CCC(=O)N(CC1=CC=C(C=C1)S(=O)(=O)N)C2CC(=O)N(C2=O)C3=CC=CC=C3 1 1.231 3 5 0 -11.2529506306647 2866624 CS(=O)(=O)N1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 1 1.08 4 4 0 -12.067815245017 2866618 C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC(=NCC3=CC4=C(C=C3)OCO4)NC5=CC=CC=C5 1 4.459 3 4 0 -3.13439601059425 2866595 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)NCC#N 1 0.416 3 2 0 -7.63014392437948 2866583 CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O 1 3.234 3 7 0 -16.6140624917872 2866568 COC1=CC(=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)OC 1 2.356 1 5 -9.32850994392797 2866550 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COC1=CC=C(C=C1)C(C[N+](=O)[O-])C2(C(=O)C3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)OC 1 4.418 1 7 0 -5.70392190282826 2865424 CC1CC(CN(C1)C(=O)CC2=CC(=C(C=C2)OC)OC)C 1 2.801 1 3 -14.1151625778582 2865400 C1COCCN1C2=NC(=NC(=N2)NNC(=O)NC3=CC=C(C=C3)Cl)NC4=CC=CC=C4 1 2.393 8 2 0 -2.39820534901438 2865397 CCC1NC2=CC=CC=C2C3=C(O1)N=C(N=N3)SC 1 3.557 4 1 -5.61353136840664 2865373 C1=CC=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)Br)CC(=O)O 1 3.495 1 3 -7.26387963896868 2865368 CC1=CC(=CC(=C1)CC2CC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C 1 3.807 2 4 -4.77554912741156 2865359 CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCC(C)C)C2=C(C=CC(=C2)Cl)OC)[N+](=O)[O-] 1 3.803 3 6 0 -21.1977540505506 2865345 C1C(C(=O)N(C1=O)C2=CC=CC=C2)CC3=CC=C(C=C3)Br 1 3.689 1 2 -1.40455082880974 2865304 CCNC(=O)C(C)SC1=CC=C(C=C1)Cl 1 2.929 1 1 -4.15681753063308 2865303 CC(=O)NC1=CC=C(C=C1)N2C(=O)C3C4CC(=O)C(C3C2=O)C5=CC=CC=C45 1 1.102 2 4 0 -8.86065525388146 2865296 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NN=CC3=CN=CC=C3 1 1.256 4 3 0 -15.5066111073706 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0.768 3 5 0 -16.9823959109514 2865195 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2(C4=NC=CN4)O 1 2.576 3 2 -1.93092353445798 2865192 CC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O 1 3.925 2 3 -11.9618176033334 2865191 CC1=C(C(=NN1C(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)C)Br 1 2.473 3 3 -9.01850302569398 2865177 CC(C(=O)NCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 1.989 2 3 0 -15.392303072952 2865166 CC(C)(C)NCCOC1=CC=C(C=C1)Br.Cl Cl- 1 3.096 1 1 -1.45847476611104 2865153 CC(=NNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=CC=NC=C3 1 1.237 4 3 0 -18.0824613550767 2865152 C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4O 1 4.834 3 3 -2.81384607801177 2865151 CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCCCOC)C2=C(C=CC(=C2)Cl)OC)[N+](=O)[O-] 1 2.543 3 7 0 -24.1404524834668 2865149 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.103 3 3 0 -3.04927115160874 2865127 CCOC1=CC(=C(C=C1)NC2C(C(C(C(O2)C)O)O)O)[N+](=O)[O-] 1 0.598 2 7 0 -12.3845717929054 2865116 CC(=O)OC1C(CSC1CCCCC(=O)OC)NC(=O)C2=CC=CC=C2 1 2.585 1 5 -23.0307137948271 2865112 CC(=O)NC1CSCC1OC(=O)C 1 -0.297 1 3 0 -8.54475065378878 2865100 COC1=CC=C(C=C1)NC2=CC(N(C2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)OC)OC 1 4.159 2 5 0 -7.84126102927228 2865095 CC1(C(=O)C(C2=C(O1)C=CC3=C2OC(=O)C=C3)C=NO)C 1 1.825 1 5 0 -2.45454299690647 2865093 CC(=O)NN(C1C(N(C(=O)N1C)CC2=CC=CC=C2)(C)C)O 1 0.678 4 3 0 -7.93235508178293 2865089 CC(=O)CC1=NC(CC2=CC=CC=C21)(C)C 1 2.398 1 1 -5.31823696330557 2865084 C1=CC=C(C=C1)C(CC(=O)O)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 2.098 2 6 0 -17.1618786850986 2865076 CC(C)CC1=NN(C(C1)(C(=O)OC)O)C(=O)C2=CC=CC=C2 1 2.064 2 4 -1.69430364033832 2865065 C[N+]1(CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(COC3=CC=CC=C3)O.[I-] I- 1 0.862 3 5 0 -9.97049330562166 2865058 CC1=NC=C(C=C1)C(C)C2=C(C(=CC(=C2C)[N+](=O)[O-])C)[N+](=O)[O-] 1 3.949 3 4 0 -3.06944930444526 2865053 CNCCOCC(CSC1=CC=CC=C1)O 1 1.333 1 2 0 -2.58982095745023 2865047 C1CC[N+](C1)(CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(=O)N.[I-] I- 1 1.383 2 2 0 -5.99415663940483 2865041 CC(C)OC1=CC=CC=C1C2=NC(=NN2)SCC(=O)O 1 2.769 3 3 -9.29440475203237 2865035 CCCNC(=S)N1CC2(CN(CC(C1)(C2=O)C)C(=O)C(=O)OC)C 1 1.705 3 4 0 -15.9063120536584 2865033 CCCCC1CC(OC1=O)(C)C(=O)CSC2=NC3=CC=CC=C3S2 1 4.819 1 3 -9.49617891533583 2865032 CCCCCOCC1CC(C(=O)O1)CC(=NNC2=NC(=CS2)C3=CC=CC=C3)C 1 3.866 3 3 -0.660492713909202 2865030 CCCCC(CCC(=O)O)(C1=CSC(=N1)N)C(=O)OCC 1 2.63 2 4 -7.4184961024218 2865029 CCOC(=O)CC1(CCOC(C1)(C)C)C2=CC=CC=C2 1 2.793 0 3 -16.9311748975445 2865028 CSC1=NC(=C2CCCCC2=C1C#N)N3CCOCC3 1 3.541 3 1 -9.37854481835894 2865023 CCN1C(=O)C2=CC=CC=C2N=C1SCC#N 1 2.315 3 1 -15.6244660218836 2865019 CC1(CC(CCO1)N2C(=O)C3=CC=CC=C3NC2=S)C 1 2.565 2 2 -11.3913190246454 2865018 CCOC(=O)CN1C(=O)C(=CN(C1=O)CC2=CC(=C(C=C2)OC)[N+](=O)[O-])F 1 0.827 3 7 0 -13.8263003111433 2865016 CCCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SC)O 1 3.684 2 3 -9.60485828339434 2865011 CC1=CCC2C(C1)C(=O)N(C2=O)CCC3=CNC4=CC=CC=C43 1 3.079 2 2 -7.23918923613137 2865010 CCSC1=NC2=CC=CC=C2C(=O)N1C3CCOC(C3)(C)C 1 3.009 2 2 -18.441515296612 2865006 CCCCCN1C(=O)C(=CN(C1=O)CC2=CC(=C(C=C2)OC)[N+](=O)[O-])F 1 2.556 3 5 0 -9.49539720909111 2865001 C1CCC(CC1)N2CC3CCC(=NO)CC3C2 1 2.463 2 1 1.33274774669936 2864999 CCCCOC1=C(C=C(C=C1)C(=O)C)CC2=C(NC(=S)NC2=O)O 1 3.508 2 4 -11.5125514578611 2864997 CC1=CCC2C(C1)C(=O)N(C2=O)CC3=CC=CC=C3 1 2.464 1 2 -4.92595335770406 2864982 CCOC(=O)C1=C(NC(=O)CC1C2=CC=CC=C2)C 1 1.661 1 3 0 -18.793299915455 2864948 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C 1 3.789 2 4 -27.7979826230413 2864940 CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2Br)OCO3)C(=O)OCC(C)C 1 2.979 2 5 0 -20.6451097972024 2864928 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OC)C)C 1 1.603 2 4 0 -19.3478337825655 2864879 CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2Br)OCO3)C(=O)OCC=C 1 2.404 2 5 0 -22.4948338891556 2864865 C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)F 1 4.092 3 2 -7.13154672116812 2864862 CC1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C=C2)OCO3)C(=O)OCCOC 1 1.252 2 6 0 -17.4664617392055 2864859 CC1=C(C(CC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OC 1 1.829 1 5 0 -19.0768475224603 2864841 COC1=C(C=C(C=C1)NC(=O)NC23CC4CC(C2)CC(C4)C3)OC 1 3.056 2 3 -9.81841901037529 2864826 CC(=C1C(=O)CC(CC1=O)(C)C)NCCCNC2CCCCC2 1 2.206 2 2 -12.2284098461539 2864747 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=N4)C(=O)C1)C 1 3.009 3 1 -24.0425310206576 2864745 CN(C)C1=CC=C(C=C1)C(=O)CC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2 1 3.101 1 5 -14.6617770390321 2864711 CC1=C(C2(C(=O)C3=CC=CC=C3C2(N1)O)O)C#N 1 9.7e-002 2 3 0 -9.3873672929576 2864695 CC1=C(C(N=C2N1C(=O)CS2)C3=CC4=C(C=C3)OCO4)C(=O)OC 1 1.975 2 5 0 -14.6772721558726 2864688 C1C(N(N=C1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)F 1 4.84 3 2 -6.29169135936754 2864686 CCC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)S(=O)(=O)N 1 5.034 3 2 -6.89646844063201 2864661 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=NC=C3)C(=O)OCC4CCCO4 1 1.775 2 4 0 -39.9863809992226 2864622 CCCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2Br)OCO3)C)C 1 2.659 2 5 0 -18.6841660256883 2864621 COC1=C(C2=C(C=C1)C3CC(=NN3C2=O)C4=CC=CC=C4)OC 1 2.553 2 3 -7.12328200816615 2864614 COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=CS3)C4=CC=CC=C4)OC 1 3.534 2 4 -4.37827721330669 2864596 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)Br 1 1.824 2 3 0 -9.1171226107731 2864571 CCOC(=O)C1=C(NC(=O)CC1C2=CC3=C(C=C2Br)OCO3)C 1 2.178 1 5 -19.8261613908057 2864535 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CN4C)C(=O)C1)C 1 3.322 3 1 -28.2133191896211 2864532 CC(C)(C)C(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)C3=CC=CC=C3)O 1 3.834 1 3 -17.2158037141123 2864509 COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C3=O)C(=C(C=C4)OC)OC 1 2.537 2 4 -6.89295895208565 2864499 C1=CC=C(C=C1)C(=O)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=C(C=CC(=C5)S(=O)(=O)N)O 1 3.214 2 6 0 -5.06360920041319 2864488 CC1=C(C(NC(=O)N1C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC3=CC=CC=C3 1 2.748 3 5 0 -19.7371285782119 2864468 CCN(CC)CCOC(=O)C1=CC2=C(C=C1)OCCO2.Cl Cl- 1 2.307 1 4 -7.84014680879832 2864438 CCOC(=O)C1=C(N(N=C1C)CC2=CC(=CC=C2)Cl)N 1 2.592 3 2 -6.94143292732061 2864412 CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3 1 3.518 2 3 -16.90246743469 2864411 CC1=C(C(NC(=O)N1C)C2=CC=CC3=CC=CC=C32)C(=O)OC 1 2.179 2 3 -15.4194456360691 2864409 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3)C(=O)OCC4CCCO4 1 2.926 1 4 -40.8622331136574 2864373 C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCOCC3 1 1.922 2 2 0 -5.45915513105743 2864364 CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3)C(=O)OCC4CCCO4 1 2.468 1 4 -39.906194256308 2864330 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)C1)C 1 2.687 3 1 -24.2452426847852 2864300 CC1=CC=C(O1)C(=O)NCCNC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 2.594 3 4 0 -5.74113363265645 2864284 CCC(C)NC(=O)C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.976 3 5 0 -26.218863053007 2864242 CCN(CC)C(=O)CN(C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=C(C=C2)SC 1 3.514 2 3 -11.9771854355406 2864162 CC1=C(C(NC(=O)N1C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3 1 2.748 3 5 0 -21.5172338391797 2864153 CCOCCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2Cl)C)C 1 2.153 2 4 -23.0600051429802 2864134 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC3=CC=CC=C3O2 1 3.59 2 4 -3.37149350700994 2864129 CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CN=CC=C4)C#N 1 2.931 3 1 -26.026455715286 2864110 COC1=CC=C(C=C1)C(=O)CC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2 1 2.922 0 6 -12.2446840206541 2864086 C1COCCN1CCCNC(=O)NC23CC4CC(C2)CC(C4)C3 1 1.401 3 2 0 -11.972422219474 2864072 COC1=C(C2=C(C=C1)C3CC(=NN3C2=O)C4=CC=C(C=C4)C5=CC=CC=C5)OC 1 4.071 2 3 -5.12709156599053 2864064 CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC3=CC=CC=C3 1 3.344 2 5 0 -15.3216749614672 2864052 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)C4=C(C=CC(=C4)S(=O)(=O)N)O)C(=O)O 1 1.44 2 7 0 -5.20448688853107 2864043 CC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4CCCO4)C 1 2.954 1 4 -39.6421371663816 2864034 C1CC(OC1)CNC(=O)NC23CC4CC(C2)CC(C4)C3 1 1.871 2 2 0 -13.0014545302856 2863955 CCOC(=O)C1=C(NC(=O)CC1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C 1 1.324 2 7 0 -22.3403517811055 2863937 CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC(=C(C(=C4)OC)OC)OC 1 3.306 2 5 0 -30.448836693018 2863914 CC1=CC=C(O1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.308 3 4 0 -1.9483251463086 2863896 CCOC(=O)C1=C(NC(=O)CC1C2=CC=CC=C2OC)C 1 1.645 1 4 0 -20.0843713391595 2863891 CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=CN4C 1 2.84 3 2 -30.5822033879283 2863889 COC1=C(C2=C(C=C1)C(OC2=O)CC(=O)O)OC 1 1.164 0 6 0 -13.3965362376832 2863875 CC(C(=O)NN=CC1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=CC3=CC=CC=C32 1 3.63 4 3 0 -8.19315807375762 2863862 CCN(CC)C1=C(C(=O)N(C2=CC=CC=C21)C)[N+](=O)[O-] 1 1.669 3 3 0 -5.59248940073414 2863843 CC(C)(C)N(C)CCOC(=O)C1=CC2=C(C=C1)OCCO2.Cl Cl- 1 2.541 1 4 -8.03049858377842 2863812 COC1=C(C2=C(C=C1)C(OC2=O)CC(=O)C3=CC=C(C=C3)O)OC 1 2.696 0 6 -10.1206165492803 2863809 CC1=C(C(NC(=O)N1C)C2=CC=CC=C2Cl)C(=O)OCC3=CC=CC=C3 1 3.518 2 3 -17.9895237421601 2863781 CCC(C)NC(=O)C1=CC=C(C=C1)CN2CCC3=CC=CC=C3C2 1 4.019 2 1 -15.0514891454323 2863756 CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4CCCO4)C 1 3.412 1 4 -40.598176023731 2863706 CCSCCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2)OCO3)C)C 1 2.001 2 5 0 -26.1086609067987 2863583 CC1=C(C(NC(=O)N1C)C2=CC=CC=C2Cl)C(=O)OCC(C)C 1 3.127 2 3 -20.2437386433528 2863506 CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=NC=C3)C(=O)OCC4CCCO4 1 1.317 2 4 0 -39.0303421418732 2863500 CN1C2=CC=CC=C2C(C1=O)(C3CC4=C(C3=O)C=CC(=C4)OC)O 1 1.944 1 4 0 6.09578296434948 2863460 CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)N(C)C)C#N 1 3.563 3 2 -31.2801186527586 2863458 CC(=O)NC1=CC=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4 1 1.263 2 3 0 -3.87259980023906 2863436 CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3 1 2.748 3 5 0 -20.818863912634 2863368 CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC(=O)N3CCCCC3)OC)C(=O)OC 1 2.503 3 5 0 -37.2787259558285 2863335 CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC3=CC=CC=C32)C)C 1 2.528 2 3 -16.1687595044145 2863253 CCC(CC)COC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)C 1 2.937 2 5 0 -33.3938593674719 2863252 CC1CCCC(C1)OC(=O)C2=C(NC(=O)NC2C3=CC=CC=C3OC)C 1 3.158 2 4 -33.5177752169069 2863238 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCCO)OC)C#N 1 2.019 2 4 -31.120059568718 2863237 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)OCCO)OC)C 1 0.841 2 6 0 -34.0793134163718 2863233 CCCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C)C 1 1.805 3 7 0 -21.1983564159881 2863226 CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)O)C#N 1 1.891 2 2 0 -23.0521665789419 2863224 CC1=C(C(NC(=O)N1C)C2=CC(=C(C=C2)O)OC)C(=O)OC 1 1.012 2 5 0 -16.1566842765714 2863219 CCSCCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC(=C2)OC)OC)C)C 1 2.2 2 5 0 -24.5875460988074 2863214 CC1=C(C(C2=C(N1)CCCC2=O)C3=CN=CC=C3)C#N 1 0.982 3 1 0 -24.7254130897163 2863135 CCCCN(C1=NON=C1OC)N=NC2=NON=C2OC 1 2.851 7 4 0 -4.08552192561689 2863133 C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F.[Br-] Br- 1 4.674 3 1 0.846023344108208 2863131 C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)O 1 1.152 3 4 0 -9.78202064317774 2863130 CC1(CC(N(C(=S)N1)CC2=CC=C(C=C2)OC)(C)O)C 1 3.016 2 2 -1.04307924942356 2863102 CC1=C(C(=NC(=N1)NN=CC2=CC(=C(C=C2)OC)OC)N(C)C3=CC=CC=C3)[N+](=O)[O-] 1 3.356 6 4 0 -6.23967919334269 2863095 COC1=C(C=C(C=C1)CN2C=CN=C2CO)[N+](=O)[O-].Cl Cl- 1 0.973 3 4 0 -4.95700684331371 2863076 CCCC1CC(OC1=O)(C)C2=CSC(=N2)NC3=CC=C(C=C3)OCC 1 4.139 2 3 -1.90192253925821 2863073 CCCCCC(CCC1=NNC(=S)N1C2=CC=CC=C2)O 1 4.181 3 1 -8.00475524407767 2863063 CCN1C2=CC=CC=C2C(C1=O)CC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5 1 3.831 3 2 -5.75109418843595 2863049 CC(C)N1C2=CC=CC=C2C(C1=O)CC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5 1 4.208 3 2 -7.01560971468781 2863003 C1C2(CN3CN1CN(C2)C3)C(C4=CC(=CC=C4)[N+](=O)[O-])O 1 0.779 4 3 0 -4.37344579510401 2862990 CCCN1C2=CC=CC=C2C(C1=O)CC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5 1 4.355 3 2 -6.65226998090146 2862988 CN1C2=CC=CC=C2C(C1=O)CC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5 1 3.482 3 2 -6.28516061299299 2862984 CCN1C(C(C(=O)C(C1C2=CC=CC=C2)C)C)C3=CC=CC=C3 1 4.582 1 1 -1.51391436434003 2862972 CC1(C2N(CCN1)C(=O)CS2)C.Cl Cl- 1 8.3e-002 2 1 0 -10.0278272294333 2862968 CCC1(CC2=C(CO1)SC3=C2C(=O)N4CCCSC4=N3)C 1 2.967 2 2 -25.0483828243729 2862961 CC1=CC(=NC(=N1)N(C#N)C(C)C(=O)OC)C 1 0.803 4 2 0 -7.48762883090884 2862957 CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2NCCO)C 1 2.647 3 3 -9.77521734852043 2862919 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NCCCN4C=CN=C4 1 3.639 4 1 -4.39216172175031 2862916 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=NC5=CC=CC=C5S4 1 4.499 2 2 -2.62081940448551 2862896 CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3C4CC(C3C(=O)O)C=C4 1 3.574 1 5 -15.232470667668 2862888 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2CCCO2 1 -0.466 3 4 0 -20.675413623909 2862865 C1COCCN1CCCNC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 1 3.039 2 2 -11.8486119829642 2862859 C1CC(OC1)C(=O)NC2=CC=CC=C2C(=O)N 1 0.285 2 3 0 -14.3090844481637 2862858 CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2)OC4=CC=CC=C4 1 3.948 4 4 0 -9.44387479673721 2862855 COC1=CC=CC=C1N2CCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4 1 4.969 2 2 -6.03813048641584 2862852 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)OC 1 2.511 1 4 -14.583286319117 2862845 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3CCCO3 1 1.943 2 3 0 -15.0358338745536 2862828 CC1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC 1 3.906 3 5 0 -15.0144186395077 2862827 C1COC2=C(O1)C=CC(=C2)NC(=O)C3C4C=CC(C3C(=O)O)O4 1 0.435 1 6 0 -2.55200404492522 2862808 CC1=C(C=CC(=C1)Cl)OCCCC(=O)NCC2CCCO2 1 2.952 1 3 -12.2820120065972 2862775 C1=CN(C=N1)CCCNC(=O)C2=CC=C(O2)Br 1 0.805 3 2 0 -6.81716834939815 2862774 CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2CC=CCC2C(=O)O)C 1 2.816 1 5 -15.094410136923 2862751 CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CS3 1 3.904 2 2 -12.9817420347692 2862733 CC1=CC(=NC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl 1 5.034 3 1 -1.48288346537729 2862716 C1=CC=C2C(=C1)C=CN2S(=O)(=O)C3=CC=C(C=C3)Br 1 4.229 1 2 -4.30736734436924 2862715 CCSC1=NN=C(S1)NC(=O)C2CC2C3=CC=CC=C3 1 2.898 3 1 -13.9055574940785 2862707 CC1CCCC(N1C(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C)C 1 4.791 2 2 -13.6457663881369 2862691 CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NC=CN=C3 1 1.621 4 2 0 -15.3450762353602 2862686 CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCC(=O)O 1 2.625 1 5 -21.570319890776 2862672 CCC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=CC=CC=C2 1 3.025 1 4 -14.8890254719712 2862644 C1CC(OC1)CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 2.656 1 3 -12.9472184553256 2862640 CC1=CC(=CC(=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3)C 1 1.622 1 4 0 1.38566875805695 2862636 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4 1 5.318 2 2 -7.17688757181866 2862634 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.743 3 4 0 -14.5612298104768 2862625 CC1=CC(=C(C=C1)OC)NC(=O)C2CC2C3=CC=CC=C3 1 3.462 1 2 -4.63666450534005 2862620 CCC1=CC=C(S1)C(=NNC(=O)C2=CNC3=CC=CC=C32)C 1 3.723 3 1 -5.35151129183576 2862603 COC1=CC(=CC(=C1)C(=O)NC2=NC=C(C=C2)[N+](=O)[O-])OC 1 1.864 3 5 0 -10.4710176978907 2862595 CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2CCCO2)C(=O)OC(C)C 1 3.01 1 6 0 -25.0312074387468 2862592 CC1=C(C=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3)C 1 1.622 1 4 0 1.60195185926498 2862590 CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(OC=C3)C 1 2.743 2 3 -10.8939385394281 2862585 C1CC(OC1)C(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.612 1 2 -9.11998184853328 2862548 CCC1=NN=C(S1)NC(=O)C2CCCO2 1 0.684 3 2 0 -20.3288023361303 2862503 COC1=CC(=C(C=C1)NC(=O)C2=CC=C(O2)Br)[N+](=O)[O-] 1 2.455 2 5 0 -6.89504718207442 2862539 CCOC(=O)C1=C(N=C(S1)NC(=O)C2CC=CCC2C(=O)O)C 1 1.592 2 5 0 -11.7613425028313 2862536 COC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)OC 1 4.694 1 3 -11.5100355744254 2862533 C1CCC(=CC1)CCNC(=O)C2C3CC(C2C(=O)O)C=C3 1 2.243 1 3 -11.238055309533 2862530 CC1=C(C=C(C=C1)C(=O)NCCCN2C=CN=C2)C 1 1.814 3 1 0 -5.61048383824535 2862516 CCC(C1=CC=CC=C1)C(=O)NC2=NOC(=C2)C 1 2.706 2 2 -15.9205913041085 2862512 CC1=CC(=NO1)NC(=O)C2CCCCC2C(=O)O 1 1.4 2 4 0 -12.8479942696319 2862497 CC(=O)C1=CC(=CC=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.232 1 4 0 -5.50140360855566 2862495 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.314 4 4 0 -6.26521999083062 2862455 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCCO3 1 1.525 2 3 0 -14.0457155673979 2862450 C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)O 1 2.047 1 5 -8.10328874567309 2862438 CCCCCC(=O)NN=C(C)C1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 3.215 3 3 -14.0602349199543 2862432 CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C 1 2.383 3 3 -12.1252771267831 2862413 CC1=C(C=CO1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N 1 3.201 2 3 -13.0862018128219 2862409 C1CCC(CC1)NC(=O)NNC(=O)C(C2=CC=CC=C2)O 1 1.444 3 3 0 -11.9924898986194 2862357 CC1=C(C(C(=C(N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C#N)C3=CC=CO3)C(=O)C 1 3.142 3 4 0 -32.2473477135747 2862333 CCOCCSC1=C(C(C(=C(N1)C)C(=O)C)C2=CC=CS2)C#N 1 2.44 2 2 -30.5157596881279 2862321 CC1=C(C(C(=C(N1)SCSC)C#N)C2=CC=CC=C2Cl)C(=O)C 1 3.74 2 1 -25.1179899070287 2862283 CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CS2)C(=O)C 1 1.076 3 2 0 -31.7060746325743 2862270 CC1=C(C(C(=C(N1)SCSC2=CC=CC=C2)C#N)C3=CN=CC=C3)C(=O)C 1 3.501 3 1 -21.5038753242569 2862269 CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CN=CC=C2)C(=O)C 1 0.183 4 2 0 -28.3431072663413 2862265 CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C#N)C4=CN=CC=C4)C(=O)C 1 4.103 3 2 -21.5505957900059 2862239 CC1=C(SC=C1)C2C(=C(NC(=C2C(=O)C)C)SCC(=O)N)C#N 1 1.562 3 2 0 -28.4839724089453 2862223 CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CO2)C(=O)C 1 0.518 3 3 0 -32.136722781928 2862222 CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)C 1 2.92 2 3 -29.3027552750996 2862220 CC1=CC=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)C)C3=CC=CO3)C#N 1 3.406 2 3 -28.5980100753993 2862219 CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)F)C#N)C3=CC=CO3)C(=O)C 1 3.125 2 3 -27.6978364556002 2862218 CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)Cl)C#N)C3=CC=CO3)C(=O)C 1 3.584 2 3 -26.5877147904786 2862216 CCC1=CC=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)C)C3=CC=CO3)C#N 1 3.862 2 3 -28.6491516168445 2862190 CC1=C(C(C(=C(N1)SCSC)C#N)C2=CC=C(C=C2)Cl)C(=O)C 1 3.74 2 1 -22.3621110033878 2862170 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCO3 1 0.795 4 4 0 -20.4724877358943 2862167 CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCCO2)C(=O)OC 1 1.558 1 6 0 -23.5543014218759 2862159 COC1=C(C=C(C=C1)C(=O)ON=C(CC2=CC=C(C=C2)Cl)N)OC 1 3.053 2 4 -0.899297275743121 2862158 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C 1 2.067 2 2 -16.715980879614 2862131 C1CCC(CC1)C(=O)ON=C(CC2=CC=C(C=C2)[N+](=O)[O-])N 1 2.778 3 4 0 -0.42053772543076 2862130 CCC1=NC2=C(C=C(C=C2)Br)C(N1CC(=O)OC)C3=CC=CC=C3 1 3.904 2 2 -7.30125195936724 2862126 C1CC(OC1)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.843 1 3 -9.85216295983102 2862125 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(C3=CC=CC=C3)NCC(=O)O 1 1.479 2 4 0 -8.3282321528213 2862115 C1=CC=NC(=C1)C(=NOC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N 1 1.559 4 4 0 -3.56201434080709 2862110 COC(=O)CN1C(C2=C(C=CC(=C2)Cl)NC1=O)C3=CC=CC=C3 1 2.889 2 3 -8.11297709190734 2862098 CC1=CC(=C(C(=C1)C)NC(=O)CCNCCC2=CC(=C(C=C2)OC)OC)C.Cl Cl- 1 3.999 2 3 -8.2774321709541 2862086 CC1=CC(=CC(=C1)C(=O)N(CCC2=CC=CC=C2)C3CC4CCC(C3)N4C)C.Cl Cl- 1 4.75 2 1 -3.96782015938903 2862078 CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CS3 1 3.905 2 2 -14.7468780231056 2862071 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(C)C3=CC=CC=C3 1 3.545 2 2 -11.0705239587177 2862069 CC1=CC(=CC(=C1)C(=O)N(CCC2=CC=CC=C2)C3=CC4CCC(C3)N4C)C.Cl Cl- 1 4.759 2 1 -1.38416394338849 2862063 CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C4=CC=CC=C4 1 3.732 2 2 -18.8194825677149 2862049 CC1=C(C=CO1)C(=O)NN=C(C)C23CC4CC(C2)CC(C4)C3 1 2.794 2 2 -1.94339072741537 2862045 CCOC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)C 1 2.904 2 3 -10.6655341432692 2862043 COC1=CC=CC(=C1)C(=O)NNC(=O)C2CCCO2 1 0.523 2 4 0 -15.6569100009724 2862042 CC(C(=O)NCCCN(C)C)OC1=C(C=C(C=C1)Cl)Cl 1 2.887 2 2 -8.16477907360525 2862039 C1=CC=C(C=C1)C(C(=O)NN=CC2=CC=C(S2)Cl)O 1 2.478 2 2 -3.80329179769959 2862033 COC1=CC=CC(=C1)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3.Cl Cl- 1 2.789 3 2 -4.61099881672191 2862027 CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)N 1 2.877 2 1 -6.13756620078618 2862026 CCOC(=O)CN1C(C2=C(C=CC(=C2)Br)NC1=O)C3=CC=CC=C3 1 3.322 2 3 -9.17662709586652 2862025 C1=CC=C(C=C1)C(C(=O)NC2=NN=CS2)SC3=CC=CC=C3 1 3.201 3 1 -9.06088305471207 2862024 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(C3=CC=CC=C3)NCC(=O)OC 1 4.409 2 4 -10.2506726736457 2862017 COC1=CC=C(C=C1)C(=O)NNC(=O)C2CCCO2 1 0.523 2 4 0 -15.1090780507114 2862008 CN1C2CCC1CC(C2)N(CCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl.Cl Cl- 1 4.442 2 1 -2.1317607429336 2862003 COC1=CC=CC=C1C(=O)NNC(=O)C2CCCO2 1 0.523 2 4 0 -17.5995886990279 2862001 CN1C2CCC1C=C(C2)N(CCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl.Cl Cl- 1 4.451 2 1 0.451895473066937 2861983 CC1=CC(=CC(=C1)OCC(=O)NNC(=O)C2CCCO2)C 1 1.347 2 4 0 -17.0765889982082 2861929 COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3CCCO3 1 1.852 1 4 0 -23.6417989840774 2861964 C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)N)NCC(=O)O 1 -0.242 2 2 0 -4.35149189076508 2861961 CN1C2CCC1C=C(C2)N(C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl.Cl Cl- 1 4.106 2 2 -1.23410712727652 2861939 CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3CCCO3 1 2.621 2 3 -22.1098052927069 2861936 CN1C2CCC1C=C(C2)N(CCC3=CC=CC=C3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC.O.Cl Cl- H2O 1 3.737 2 4 -4.58647649545221 2861907 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 4.461 3 2 -23.4605368232299 2861905 CC1=CC=CC(=C1)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3.Cl Cl- 1 3.292 3 1 -3.47234978305882 2861899 CN(C)C1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-] 1 2.825 4 4 0 -6.07504393287809 2861891 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N(C)C)[N+](=O)[O-] 1 2.055 4 4 0 -15.7939082727381 2861889 COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)OCC3=CC=CC=C3 1 4.782 2 4 -9.69049064571069 2861884 CC1=CC(=CC(=C1)OCC(=O)NCC2CCCO2)C 1 2.204 1 3 -13.2163313316311 2861874 CCC1CCC2=C(C1)SC(=C2C(=O)N)N 1 1.963 2 1 0 -3.72356779345693 2861872 CCCCCC1=CC=C(C=C1)C2=NNC(=O)CC2 1 3.36 2 1 -9.53187714041617 2861871 CC1CC2=C(S1)C3=C(C=CC(=C3)C(=O)O)N=C2C 1 2.922 1 2 -3.25777226264766 2861859 COC1=CC=CC=C1C(=O)NCCN2CCN(CC2)C3=CC=CC=C3.Cl Cl- 1 2.789 3 2 -6.01172383428266 2861858 CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl.Cl Cl- 1 3.643 1 2 -5.09940856397246 2861856 CN1C2CCC1CC(C2)OC(=O)C3=CC=C(C=C3)Cl.Cl Cl- 1 2.979 1 2 -5.26305094402801 2861852 CC(=O)C(CC=C(Cl)Cl)C(=O)NC1=CC=CC=C1OC 1 2.569 1 3 -9.81770534995523 2861846 CN1C2CCC1C=C(C2)N(C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)F.Cl Cl- 1 3.647 2 2 -2.34422879239808 2861840 C1C(OC2=CC=CC=C2O1)CNCC3=CC=C(C=C3)O 1 2.588 1 3 4.02302250016088 2861821 CCC(=O)NN1C=NC2=C(C1=O)C3(CCCCC3)CC4=CC=CC=C42 1 2.98 3 2 -7.43473780040214 2861807 CCN1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3 1 4.006 4 1 -21.1190710468118 2861800 COC1=CC=C(C=C1)CC(=O)NCC2(CCOCC2)C3=CC(=C(C=C3)OC)OC 1 2.748 1 5 -22.6509624792649 2861782 CC\1=NN(C(=O)/C1=C\N(C2=CC=CC=C2)O)C3=CC=CC=C3 1 2.553 3 2 -5.24341122191732 2861757 C1=CC=C(C(=C1)C2=CC=C(O2)C=C3C(=O)N4C5=NC=C(C=C5N=C4S3)Br)C(=O)O 1 4.633 3 4 0 -9.05003838860026 2861739 CC1CCN(CC1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O 1 4.326 2 1 1.88361990462878 2861723 CC(=O)NC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])N 1 1.658 3 4 0 -3.36508195459198 2861719 C1CCC(CC1)C(=O)NCC2C3=CC=CC=C3CCN2C(=O)CN4C(=O)C5=CC=CC=C5C4=O 1 3.133 3 4 0 -17.064013639474 2861679 CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)O4 1 0.611 1 5 0 5.1542403275652 2861676 CC1=CC(=CC=C1)N2CCC(=N2)N=CN(C)C 1 1.385 4 0 0 1.85443287591093 2861669 C#CCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 5.309 3 3 -19.5544961310495 2861623 CC1=C(C(=NN1CC(=O)NCC2CCCO2)C(F)(F)F)Br 1 2.163 3 2 -17.2394049622098 2861568 CCOC(=O)C1=C(OC2=C(C13C4=CC=CC=C4NC3=O)C(=O)CCC2)N 1 0.852 2 5 0 -14.8317130175421 2861546 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CC5=CC=CC=C5 1 1.826 1 2 0 -5.81689132336804 2861528 COC1=CC=CC(=C1)C2NC3=C(C(=O)N2)SC(=S)N3C4=CC=CC=C4 1 4.333 3 2 -1.1722743420879 2861516 CCC1=CC2=C(C=C1)NC(=O)C23NN=C(S3)C4=CC=CC5=CC=CC=C54 1 4.463 3 1 -1.45868748601902 2861471 CC1CN(CC(N1)C)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.727 3 2 0.175697838592486 2861451 C1CCN(CC1)C2=CC=C(O2)C=NN3C(=O)C4C5C=CC(C4C3=O)C56CC6 1 2.441 3 3 -0.915072700869494 2861416 CC1=C(C(=NN1CC(=O)NCC2CCCO2)[N+](=O)[O-])Cl 1 1.141 4 4 0 -19.6917194953731 2861400 CC(C1=CC=CC=C1)NC(=O)C(=O)NCCCN2C=CN=C2 1 0.492 4 2 0 -11.4213398348756 2861396 CN(C)CCCN1C(SCC1=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl Cl- 1 1.814 2 4 0 -13.0731019435734 2861373 C1=CC(=CC=C1C=C2C(=O)N3C4=NC=C(C=C4N=C3S2)Br)O 1 3.556 3 2 -5.87445251317328 2861367 C1=CC(=CC=C1NCCNC(=O)C2=NON=C2N)[N+](=O)[O-] 1 0.415 6 4 0 -16.5087392439084 2861364 CC1=CC(=NC2=CC(=NN12)C(=O)NCCOC)C3=CC=CC=C3 1 1.838 4 2 0 -15.5774667843228 2861353 CC(C1=CC=CC=C1)NC(=O)CN2C=NC(=N2)[N+](=O)[O-] 1 1.232 5 3 0 -14.9373269656434 2861302 CC(C(=O)O)NC1=NC(CC2=CC=CC=C21)(C)C 1 1.921 2 2 0 -7.70431931811087 2861244 CCOC(=O)C1=C(NC(=O)NC1C2=C(C(=CC=C2)OC)OC)C3=CC=CC=C3 1 2.615 2 5 0 -23.2426792157181 2861220 CCCCOC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O 1 5.06 2 4 -9.58515155219111 2861215 CC1(CC2=CC=CC=C2C(=N1)NCCC(=O)O)C 1 1.685 2 2 0 -6.40322095310382 2861209 COC1=CC(=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5)[N+](=O)[O-] 1 1.697 2 5 0 -3.50858621696057 2861182 COC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.659 4 4 0 -3.63997043469432 2861170 C1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NCCCN4C=CN=C4)Cl 1 3.525 6 1 0 -9.41507922919009 2861155 COC1=CC=C(C=C1)C2C(=C(N3C4=CC=CC=C4SC3=C2C#N)N)C#N 1 3.833 4 1 -5.24416412825969 2861112 CC1=CC(=NN1CC(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-] 1 2.079 4 3 0 -18.7264771060298 2861058 CCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C45CC5 1 1.977 1 4 0 -8.72580563673699 2861041 CN(C)CCCN1C(SCC1=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl Cl- 1 1.758 3 3 0 -11.8953196530833 2861028 CC1=CC=CC=C1NC(=O)CC2C3=CC=CC=C3CC(N2C)(C)C 1 3.96 2 1 -13.2926835422572 2861020 CC(C)CC(C(=O)O)NC1=NC(CC2=CC=CC=C21)(C)C 1 3.153 2 2 -11.1830173420821 2860985 CC(C)C1C2=C(CC(CC2=O)(C)C)ON1C3=CC=CC=C3 1 3.854 1 2 -11.2039769174389 2860972 C1CC2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)F 1 2.348 1 2 1.91846695961032 2860969 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC6=C(C=C5)OCO6 1 1.587 1 4 0 -3.77232786770837 2860962 CC1=C(C(=NN1CC(=O)NCCCN2C=CN=C2)C(F)(F)F)Br 1 1.608 5 1 0 -11.3688512775696 2860951 CC12C=CC(O1)(C3C2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(=O)OC)C 1 1.773 1 5 0 2.68223460551848 2860885 COC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)C3C4C=CC(C3C2=O)C5C4C5 1 1.697 2 5 0 -6.1730887571993 2860901 CC1(CC2=CC=CC=C2C(=N1)NCC(=O)O)C 1 1.437 2 2 0 -6.05323040075397 2860932 CN(C)CCCN1C(SCC1=O)C2=CC=C(C=C2)OC.Cl Cl- 1 1.847 2 2 0 -10.2138880748702 2860920 C1CC=C2C(C1)C3(C4=CC=CC=C4NC3=O)C(C(=C2C#N)N)(C#N)C#N 1 0.931 5 1 0 -3.82490665738007 2860870 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3OC24C=CC5=CC=CC=C5O4 1 5.419 1 3 0.620617141666309 2860759 CCOC(=O)CN1C2=CC=CC=C2[N+]3=C1SCC(C3)O.[I-] I- 1 2.295 2 3 -6.42783482569171 2860661 COC1=CC=C(C=C1)C2NC3=C(C(=O)N2)SC(=S)N3C4=CC=CC=C4 1 4.333 3 2 -2.64967001258217 2860669 CC1(CC(=O)N(O1)C2=CC=CC=C2)O 1 0.535 1 3 0 -2.06695087378426 2860704 C1CC(OC1)CNC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CS4)C(F)(F)F 1 4.117 4 2 -17.1283490297116 2860695 COC1=C(C=C(C=C1)CCN2C(SCC2=O)C3=CC(=C(C=C3)OC)OC)OC 1 3.501 1 5 -13.8800874370459 2860655 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC6=CC=CC=C65 1 2.727 1 2 -1.5514039543052 2860597 COC(=O)CN1C2=CC=CC=C2[N+]3=C1SCC(C3)O.[Br-] Br- 1 1.946 2 3 0 -5.81556460896866 2860602 CC1=C(C(=NN1CC(=O)N2CCOCC2)[N+](=O)[O-])[N+](=O)[O-] 1 -9.4e-002 5 6 0 -11.3709199978164 2860604 CCC1=NOC2=C1C(=NO)CC(C2)CC(C)SCC 1 3.054 2 2 -8.43154096249327 2860638 CC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C#N)C(=O)OC 1 0.289 3 4 0 -12.6613119822178 2860584 CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C=CC3(O4)C)C 1 1.021 1 5 0 3.17710487498073 2860530 CC(=O)OC1=C(C2=NC3=CC=CC=C3N=C2C4=CC=CC=C41)C5=CC=CC=C5 1 5.254 2 2 1.37488159962631 2860484 CC1(CC2=CC=CC=C2C(N1C)CC(=O)NC3=CC=C(C=C3)Br)C 1 4.222 2 1 -10.1942388237671 2860451 C1=CC(=CC=C1S(=O)(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl 1 3.483 3 4 0 -4.9663435092144 2860434 CC1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SCCO 1 3.057 2 3 -3.71574358596213 2860394 C1CC(OC1)CNC(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CS4)C(F)(F)F 1 4.033 4 2 -18.0658300530322 2860359 C1C(CSC2=[N+]1C3=CC=CC=C3N2CC(=O)C4=CC=CC=C4)O.[Br-] Br- 1 3.495 2 2 -4.38808185303286 2860310 C1CN(CCN1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3 1 3.48 5 3 0 3.93290514737864 2860307 CC1=CC=C(C=C1)N2C(SCC2=O)C3=CC4=C(C=C3)OCO4 1 3.493 1 3 -12.8921340427412 2860295 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCNCC2.Cl Cl- 1 2.065 2 1 -6.54955572234155 2860287 CCOC(=O)C1=C(OC2=C(C13C4=CC=CC=C4NC3=O)C(=O)CC(C2)(C)C)N 1 1.31 2 5 0 -17.2786097866286 2860275 CC1=CC=CC=C1C2C3=CC=CC=C3OC(=C2C=C(C#N)C#N)C4=CC(=C(C=C4)OC)OC 1 5.59 2 3 -4.87880034088441 2860266 CCN(CC)CC(=O)NC1=C(C2=C(S1)CCC2)C(=O)OCC 1 2.571 2 3 -17.1526593617418 2860261 CC1=CC=CC(=C1)C2C3C(=NC4=C2C(=O)CCC4)C5=CC=CC=C5C3=O 1 4.043 1 2 -9.08806766783843 2860220 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5 1 1.455 1 4 0 1.43250049200681 2860217 C1=CC=C(C=C1)C2NC3=C(C(=O)N2)SC(=S)N3C4=CC=CC=C4 1 4.35 3 1 -2.9820889497465 2860198 CC1=C(C(=NN1CC(=O)NC(C)C2=CC=CC=C2)C)[N+](=O)[O-] 1 1.823 4 3 0 -14.6409926386188 2860195 CCCC1=NOC2=C1C(=NO)CC(C2)CC(C)SCC 1 3.51 2 2 -6.97114495240712 2860190 C1=CC=C(C=C1)C2=NNC(S2)C3=CC=CC=C3O 1 3.372 2 1 1.48886033310413 2860184 CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53 1 5.032 4 2 -4.94839466326717 2860178 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O 1 2.824 4 5 0 -19.4314607570081 2860161 COC(=O)C1=C(C=CC(=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4)Cl 1 2.663 1 4 -2.34277587861969 2860106 COC1=CC=C(C=C1)NC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 3.993 2 4 -10.080104368035 2860099 CC(C)C1=NN(C(C1)(C(C)(C)C)O)C(=O)C2=CC=CC=C2 1 3.363 2 2 -3.07957511848239 2860085 CC1=C(C(=NN1CC(=O)NCC2CCCO2)C)[N+](=O)[O-] 1 0.221 4 4 0 -19.6117409110222 2860077 CC1(CC2=CC=CC=C2C(=N1)NC(CC3=CC=CC=C3)C(=O)O)C 1 3.477 2 2 -7.38500979340907 2860054 CC1(CC2=CC=CC=C2C(N1C)CC(=O)NC3=C(C=C(C=C3)Cl)Cl)C 1 4.802 2 1 -8.72705820880939 2859995 CC1=CC=C(C=C1)C(=O)NNC2=NC(CC3=CC=CC=C32)(C)C.Cl Cl- 1 3.275 3 1 -3.42627287417301 2860008 CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3F 1 3.034 2 2 -5.42132533830008 2860044 COC1=CC=C(C=C1)C2N(C(=O)CS2)CCC3=CC(=C(C=C3)OC)OC 1 3.518 1 4 -12.3502532011156 2860033 CC1=CC(NC2=C1C=C(C=C2)OC(=O)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)(C)C 1 4.113 2 4 -9.13696666063881 2859991 C1=CC=C2C(=C1)N=C(N2CCC(=O)O)SCCOC3=CC=CC=C3F 1 4.202 2 3 -8.88594360874044 2859981 CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)CN3CCCCC3 1 2.342 3 5 0 -17.6001575077363 2859976 CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC=CS2)C(=O)OCC 1 1.661 2 5 0 -20.3453632771844 2859963 C1CC12C3C=CC2C4C3C(=O)N(C4=O)C5=CC6=C(C=C5)OCO6 1 1.541 1 4 0 -1.65601707029067 2859931 COC(=O)C1=CC(=CC=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4 1 1.998 1 4 0 -4.9307776414542 2859927 C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2 1 2.398 3 4 0 -7.19990970810262 2859920 C1C2C1C3C=CC2C(C3C(=O)O)C(=O)O 1 0.469 0 4 0 -5.52215816974172 2859888 CCOC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C(=O)O 1 2.201 1 4 -3.37818464345595 2859847 C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(CNCCO)O 1 2.081 2 2 5.99642558668204 2859845 CCSC(C)CC1CC2=C(C(=NO2)C)C(=NO)C1 1 2.387 2 2 -6.46880030113555 2859837 CC(=NN1C(N(CC1=O)CC2=CC=CC=C2)C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 4.38 3 2 -5.78335710773157 2859804 CC1=C(C=C(O1)CSCC2CCCO2)C(=O)O 1 1.694 0 4 0 -10.5250650978058 2859768 C1CN(CCC1O)C2=NC=C(C=C2)[N+](=O)[O-] 1 8.7e-002 3 3 0 1.1384062899942 2859767 C1CN(CCN1C2=NC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CO3 1 0.931 4 4 0 -3.34865223411186 2859765 COC1=CC=CC(=C1)N2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-] 1 2.268 4 3 0 3.11271884701906 2859764 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C(C=C4)[N+](=O)[O-] 1 1.964 4 4 0 2.02176863216425 2859749 C1=CC(=CC(=C1)O)NC2=C(C=NC=C2[N+](=O)[O-])[N+](=O)[O-] 1 1.776 4 5 0 4.07559369323734 2859745 CN1C2=C(C=C(C=C2)OC)N=C1NCCO 1 0.873 3 2 0 0.186394705031446 2859729 CC1CC2(CCCC2)[N+](=CC3=CC=CC=C13)[O-] 1 2.961 1 1 0.333487988428957 2859719 CCOC(=O)N1CCN(CC1)C2CC(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl 1 2.553 3 4 0 1.92861989534068 2859713 COC(=O)CN1C2=CC=CC=C2N(C1=N)CCN3CCCCC3.Br Br- 1 1.922 4 2 0 -6.86016864744483 2859710 CC1=C(C(=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OCC4=CC=CC=C4)C 1 5.208 2 3 -5.26303091093043 2859706 CC(C(=O)NCC1=CC=CC=N1)N2C(=O)C3=CC=CC=C3C2=O 1 1.054 3 3 0 -16.7822417616201 2859702 CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC(=S)N(C)C)C 1 3.751 2 1 -6.56933771445165 2859698 C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4 1 2.159 2 4 -5.23844530474019 2859691 C1CC(OC1)CNC(=O)C(=O)NN=CC2=CC(=CC=C2)Cl 1 1.396 3 3 0 -11.5693039401454 2859689 COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C3CCCCC3=O 1 4.453 0 3 -5.45366887448564 2859675 CC1=NC=CN1CC2=CC=CC3=CC=CC=C32 1 2.675 2 0 0.599152941052918 2859666 CCC(=C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)C3=CN(C4=CC=CC=C43)CC(CN5CCN(CC5)C)O 1 6.249 3 3 -0.722184899880221 2859665 CN1C(=O)CC(C1=O)N2CCC(CC2)C(=O)N 1 -1.087 3 3 0 -0.661295581367946 2859661 C1CN2C(=CSC2=N1)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4.Br Br- 1 0.634 3 3 0 -16.7968335373955 2859649 CCN(CC)C(=O)C1CCCC2=C1NC3=C2C=C(C=C3)Cl 1 4.259 2 1 -4.8156072696628 2859648 COC(=O)CN1C2=CC=CC=C2N(C1=N)CC=C.Br Br- 1 1.483 3 2 0 -9.61531910107695 2859647 C1=CC(=CC=C1C(C(CO)NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)O)[N+](=O)[O-] 1 1.575 2 8 0 -13.2354885982778 2859642 CC(=NN=C(N)SC1CC(=O)N(C1=O)C2=CC=C(C=C2)Br)C3=CC=CS3 1 3.653 4 2 -3.0361590811805 2859636 C1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CC4=CC=C(C=C4)Cl)O.Cl Cl- 1 4.528 3 2 1.5102279983225 2859630 C1COCCN1CCNC(=O)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 0.657 3 4 0 -11.3732240438329 2859617 C1COC(CO1)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)Br 1 3 2 4 -10.4685707043674 2859574 CC1=CC=C(C=C1)C(=O)C(C)[N+]2=CC=CC(=C2)C(=O)N.[Br-] Br- 1 2.663 2 2 -4.83259177663876 2859572 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC(C)C3=CC=CC=C3 1 4.92 2 3 -5.25978618033134 2859569 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=CO2 1 2.39 2 4 -7.54810723833791 2859568 C1=CC2=C(C=C1S(=O)(=O)NCCCO)C(=O)C3=C2C=CC(=C3)S(=O)(=O)NCCCO 1 -0.21 2 7 0 -6.91279482401528 2859545 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC(C)C3=CC=CC=C3 1 4.464 2 3 -5.25858668912168 2859526 CN1C2=C(C=C(C=C2)OC)N=C1SCC(C3=CC=CC=C3)O 1 3.691 2 2 -3.72754585881489 2859515 C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl)SC(=NC3=CC=CC=C3)NC4=CC=CC=C4 1 6.013 3 2 2.87579852484726 2859514 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=C3Cl 1 5.207 2 3 -5.66611005937702 2859494 CC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC=CC=C3 1 3.1 2 2 -4.05206098322833 2859481 CC1CC(=CC(C1CN(CCC[N+](C)(C)C)C(=O)NC2=CC=CC=C2)C)C.[I-] I- 1 2.692 3 1 -9.74766621561455 2859475 CC1=CC=C(C=C1)C2=CSC3=NCCN23.Br Br- 1 2.315 2 0 -1.18707721766154e-003 2859472 CC1=CC(=CC=C1)CC2C(=O)N=C(S2)NC3=CC=CC=N3 1 3.797 3 1 -2.27089763341136 2859435 CC1=CC(=C(C=C1)NC(=O)CC2=C(NC3=CC=CC=C3C2=O)O)C 1 3.404 2 3 -10.0227775123006 2859428 C1=CC(=CC=C1NN=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)Cl 1 5.612 2 3 2.90462480837742 2859427 CCOC(=O)C1C(C(=C(CC1(C)O)NC2=CC=C(C=C2)Br)C(=O)OCC)C3=CC=CC=C3 1 4.182 1 5 -12.3802577946921 2859426 CC1CC2(CCCC2)NCC3=C1C=CC(=C3)[N+](=O)[O-] 1 3.303 2 2 -3.37105490504112 2859420 COC1=CC(=CC(=C1)C(=O)NCC2CCCO2)OC 1 1.364 1 4 0 -14.3267180785007 2859411 C1=CC(=CC(=C1)[N+](=O)[O-])N=NN(CC(=O)N)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.433 6 5 0 -0.436896673104517 2859408 CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CS3)C(=O)OC 1 1.852 1 3 0 -34.8428834256059 2859403 CN1C2=CC=CC=C2N=C1C(C3=CC4=C(C=C3)OCO4)O 1 2.627 2 3 -2.14496213464269 2859396 CC(C1=NC2=CC=CC=C2N1CC3=CC=CC=C3)O 1 3.207 2 1 -5.72298830465694 2859393 C1COCCN1C2=CC=C(C=C2)C=NNC3=CC(=CC=C3)Cl 1 3.963 3 1 3.72807649264568 2859379 CN1C=CN=C1C(C2=CC=CC=C2)O 1 1.23 2 1 0 -6.51142884127035 2859378 COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)O2)OC)OC 1 3.036 0 5 -5.89696179870068 2859373 C1CCN(CC1)C2(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)O 1 1.373 3 4 0 -7.61028498776771 2859367 COC1=C(C=CC(=C1)CC=C)OCC(CO)O 1 1.754 0 4 0 -9.81494893705283 2859356 CC1=CC(NC(C1)CC=C)CC=C 1 2.771 1 0 -2.60088637018699 2859351 CCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(S3)Br.Br Br- 1 4.265 3 1 -4.12565590822212 2859344 CC1=CC2=C(C=C1C)NC(=O)C(N2)CC(=O)NCC3=CC=CC=C3 1 2.444 3 2 -20.5135638495691 2859342 C1=CC=C(C=C1)CNC(=O)CC2C(=O)N=C(S2)N 1 1.126 3 2 0 -17.0985444615914 2859332 C=CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(S3)Br.Br Br- 1 3.553 3 1 -7.900229731237 2859324 CN1CCC(=NNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)CC1 1 1.723 4 3 0 -14.2865983331237 2859255 C=CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CC=C3.Br Br- 1 3.032 3 1 -9.08251037695991 2859306 COC1=CC=C(C=C1)C2N(CCS2)S(=O)(=O)C3=CC=CC=C3 1 3.146 1 3 -19.2844658163495 2859292 CC(=NNC(=O)C1=CC=CC=C1O)C2C(=O)C3=CC=CC=C3C2=O 1 1.883 2 4 0 -1.01348891280873 2859290 C1=CC(=CC(=C1)[N+](=O)[O-])N=NN(CCO)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.039 5 5 0 2.92434277535549 2859286 CCN(CC)CC(CN1C2=CC=CC=C2N=C1C3=CC=CC=C3Cl)O 1 4.466 3 1 1.33353538192553 2859282 CC(=O)NC1=CC=C(C=C1)N2C(SCC2=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.254 3 4 0 -17.7525702249939 2859252 C1CSCCN1C2CC(=O)N(C2=O)C3=CC(=CC=C3)Br 1 2.196 2 2 6.22044397159223 2859181 CC1CC2=C(CC1C=NNC(=S)N)C(CCC2)(C)C 1 3.853 3 0 -1.39398885023774 2859186 C1=CC=C2C(=C1)N=C(N2CCC#N)C(CCC#N)(CCC#N)C#N 1 2.497 6 0 -2.5684813063244 2859198 COC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2)OC)OC)OC 1 2.373 1 5 -13.0864735146482 2859203 CC(C12CC3CC(C1)CC(C3)C2)NCC4=NC5=CC=CC=C5N4C 1 4.134 3 0 1.63139076908349 2859237 COC1=CC(=C(C=C1)C=NN2C(=O)C3C4CCC(C3C2=O)C=C4)OC 1 2.179 2 4 -0.485149677860471 2859236 CN1C2=C(C=C(C=C2)OC)N=C1SCC(=O)C3=CC=CS3 1 3.827 2 2 -8.32930217895013 2859221 COC1=CC(=C(C=C1)NC2=CC(=O)CC(C2)C3=CC=CC=C3)OC 1 3.496 1 3 -10.5118584049656 2859218 CCCOC1=CC=CC=C1N2C(=O)CC(C2=O)N(C3=CC=CC=C3)O 1 3.368 2 4 -5.95168057717583 2859152 CC1=CC=[N+](C=C1)CC(=O)C2=CC=CS2.[Br-] Br- 1 3.13 1 1 -4.814267534228 2859133 CCOC(=O)C1=NN(C(C1)(C(C)(C)C)O)C(=O)C2=CC(=CC=C2)Br 1 3.332 2 4 -4.49240770815999 2859128 C=CCN1C2=CC=CC=C2N=C1C(C3=CC=CC=C3)O 1 3.475 2 1 -7.79898646398745 2859124 CC1=CC(=NN1C2=NN=C(N2N)C)C.Cl Cl- 1 0.159 6 0 0 -8.17734980744508 2859123 CC(C)(C)NC(=O)C(=O)NN=C1CCN(CC1)C 1 -0.201 4 2 0 -11.1546318728637 2859117 C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.45 2 2 0.727168120380912 2859103 C1CCC(=O)C(C1)C(CC(=O)C2=CC=CC=C2)C3=CC=CO3 1 3.654 0 3 -7.28081344311515 2859088 CC1=CC2=C(C=C1)N3CC(=O)N(C4C3C2CCC4)CC5=CC=CC=C5 1 4.098 2 1 -2.3329941330084 2859057 CC1C=C(CC2C1C(=O)N(C2=O)CCCN(C)C)C 1 1.334 2 2 0 -6.64203662999934 2859056 CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)COC3=CC=CC=C3 1 2.187 2 3 -6.29696196795167 2859054 CN1C(=C(N=C1C(C2=CC=CC=C2)O)Cl)Cl 1 2.563 2 1 -3.13314369450085 2859051 C1CN2C(=CSC2=N1)C3=CC=CC=C3.Br Br- 1 1.829 2 0 0 -0.475703493532861 2859033 CC(=NN=C(N)SC1CC(=O)N(C1=O)C2=CC(=CC=C2)Cl)C3=CC=CS3 1 3.569 4 2 0.447408270325267 2859028 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.834 3 3 7.17360362724629 2859026 CCOC(=O)C1=C(N=C2C(C1C3=CC=CC=C3)C(=O)C4=CC=CC=C42)C 1 3.668 1 3 -14.7482985808525 2859008 CCOC(=O)C1=C(NC2=C(C1C3=CC=CS3)C(=O)CCC2)C 1 2.201 1 3 -35.5921972939513 2858965 CC(C)N1C2=CC=CC=C2N=C1C(C3=CC4=C(C=C3)OCO4)O 1 3.353 2 3 -4.08354010679669 2858947 CC(C)C1=NN(C(C1)(C(=O)OC)O)C(=O)C2=CC=CC=C2 1 1.818 2 4 0 -4.77819131438223 2858920 CC(=NN=C(N)SC1CC(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CS3 1 2.904 4 2 -3.76019544833289 2858902 COC(=O)C1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC=C(C=C3)Cl 1 3.018 2 4 -6.18738061563947 2858900 C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=C(S4)Br.Br Br- 1 4.52 3 1 -1.90408915666226 2858879 CCOC(=O)C1=C(N=C2C(C1C3=CC=C(C=C3)C)C(=O)C4=CC=CC=C42)C 1 4.154 1 3 -14.3158284939137 2858871 CC1=CCC(CC1=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=C)C 1 3.489 3 3 -9.44797421961706 2858870 CC(C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-])O 1 3.102 3 3 -6.99841532282795 2858863 CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)O2)OC)OC 1 3.385 0 5 -6.76091485068309 2858860 CC1=C(SC(=N1)NC2=CC=CC3=CC=CC=C32)C(=O)C.Cl Cl- 1 2.962 2 1 -2.13148983426189 2858829 CCC(C(=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C)C(=O)OCC 1 2.187 3 5 0 -12.7107424091896 2858821 C1C(N(N=C1C2=CC=CC=C2)C(=N)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=CC=C5 1 4.909 4 2 -5.16924691836544 2858802 CC(=NN=C(N)SC1CC(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl)C3=CC=CS3 1 4.233 4 2 -2.03334787241614 2858738 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 1.101 3 5 0 -9.36105027345207 2858742 CC1=CC(=CC(=C1)NC2=C(N=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C 1 4.068 4 4 0 -1.70104664403832 2858758 CCOC(=O)C1=C(N=C2C(C1C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C42)C 1 4.332 1 3 -12.3055332089931 2858788 COC1=C(C=C2C(NC(=O)CC2=C1)C3=CC=C(C=C3)Br)OC 1 3.154 1 3 -10.6163767409556 2858773 CC1C(NC(CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-].Cl Cl- 1 3.024 3 5 0 -2.82070381478076 2858766 CCOC(=O)C1=C(N=C2C(C1C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C42)C 1 4.416 1 3 -13.7621929540945 2858765 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=N)N3C(CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5 1 5.56 4 3 0 -6.60532452066963 2858735 C1COCCN1CC(=O)NCC23CC4CC(C2)CC(C4)C3.Cl Cl- 1 1.542 2 2 0 -9.84128081477099 2858731 C1=CC=C(C=C1)C(=O)CC(C2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 3.76 0 4 -7.65569755565151 2858730 CCN1C2=CC=CC=C2N=C1C(C3=C(C(=CC=C3)OC)OC)O 1 3.175 2 3 -4.47263052487472 2858721 CC1=C2C(=CC(=C1)[N+](=O)[O-])C(C(=O)N2)(N3CCOCC3)O 1 0.63 3 5 0 -5.89329633114783 2858720 CC(=NN=C(N)SC1CC(=O)N(C1=O)C2=CC=C(C=C2)Cl)CCC3=CC4=C(C=C3)OCO4 1 3.865 4 4 0 -0.395238522971257 2858704 CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)S(=O)(=O)NC(C(C)C)C(=O)O 1 2.932 2 8 0 -16.217417520995 2858695 CC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2)OC)OC 1 2.892 1 3 -10.981715686441 2858669 CC1=C(C(CC1)C(=C)C)CC(C)(C)C=NN2C=NN=C2 1 3.484 4 0 -0.811140817730634 2858656 C1=CC(=CC=C1C2=NC(=NN2)N)F.Cl Cl- 1 1.495 4 0 0 3.99238588841648 2858584 CN1C(=O)CC(C1=O)NCC2=CC=C(C=C2)OC 1 0.47 2 3 0 -2.94334179390629 2858578 COC1=C(C=C2C(NC(=O)CC2=C1)C3=CC(=CC=C3)[N+](=O)[O-])OC 1 2.3 2 5 0 -13.8169270780407 2858577 CCOC(=O)C1=C(OC(=C(C1C2=CC=C(S2)C)C#N)N)C 1 1.851 2 3 0 -10.275231289496 2858523 CC1=CC2=C(C=C1C)N(C(=N2)NCCCO)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C 1 5.739 3 3 -3.78969850374916 2858525 C1CCCN(CC1)C2(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)O 1 1.83 3 4 0 -7.61028498776771 2858533 C1OC2=C(O1)C=C(C=C2)NC3=NC(=CS3)C4=CC(=CC=C4)N5C(=O)C6=CC=CC=C6C5=O.Br Br- 1 4.064 3 4 0 1.48518990205944 2858536 CC(=NN=C(N)SC1CC(=O)N(C1=O)C2=CC=C(C=C2)Cl)C3=CC=CS3 1 3.569 4 2 -1.57949933607906 2858538 CCC1=CC=C(S1)C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OCC)N 1 3.191 1 4 -17.5460366968226 2858557 C1=CC=C2C(=C1)NC(=N2)NN=CC3=CC=CS3 1 2.822 4 0 2.85336313745931 2858541 C1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4 1 3.122 1 5 -13.1728286530938 2858509 C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)CC4=CC=NC=C4 1 2.835 2 2 -1.44058994556477 2858508 CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)C3=CC=CO3 1 2.725 2 3 0.688780948893582 2858493 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)C(=O)OCC 1 2.548 2 5 0 -1.61716423388066 2858481 C1=CC(=CC(=C1)NC2=NC=C(C=C2)[N+](=O)[O-])C(=O)O 1 1.655 3 4 0 -3.30428551469313 2858454 C1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O 1 1.641 1 4 0 -4.76287805506251 2858452 CC(C)N1C2=CC=CC=C2N=C1C(C3=C(C(=CC=C3)OC)OC)O 1 3.552 2 3 -4.95751752227745 2858419 CN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(S3)Br.Br Br- 1 2.936 3 1 -4.76228735521648 2858410 C1CC(=C(C1)NNC(=O)C2=CC=C(C=C2)Br)C(=O)C(F)(F)F 1 3.225 2 2 -5.98358327030449 2858406 CC1=NN2C=C(N=C2S1)C3=CC=C(C=C3)Cl.Br Br- 1 2.65 3 0 5.41946767693944 2858397 CCCCC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCC3)N)C#N)[N+](=O)[O-] 1 5.418 4 2 -8.27742540944329 2858383 CC1=CC=C(C=C1)NC2=C(N=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 3.582 4 4 0 -1.63485913524571 2858376 CC1(CS(=O)(=O)CC1S(=O)(=O)[O-])NC(=O)CC[N+](C)(C)CCO 1 -5.428 2 7 0 -14.4454772558348 2858347 CC(=NNC1=CC=C(C=C1)C(=O)O)C2=NC3=CC=CC=C3N2C 1 3.187 4 2 -1.35231247482308 2858330 CC(C)N1C(=O)C2=C3C(=C(C=C2)N4CCCCC4)C=CC=C3C1=O 1 3.576 2 2 -1.77229120426092 2858320 CCCN(C1=CC(=CC=C1)[N+](=O)[O-])N=NC2=CC(=CC=C2)[N+](=O)[O-] 1 4.451 5 4 0 0.617962030018008 2858307 C1=CC=C2C(=C1)N(C(=N)N2CC3=CC=C(C=C3)Cl)CCO.Cl Cl- 1 2.867 3 1 3.96060818327667 2858298 CC(C(C12CC3CC(C1)CC(C3)C2)O)NC4CCCCC4.Cl Cl- 1 3.983 1 1 -0.532590624892343 2858297 CN1C=CN=C1C(C2=CC=C(C=C2)OC)O 1 1.214 2 2 0 -5.10868914495937 2858286 CCCC1=NC=C(N1C)C(C2=CC=C(C=C2)OC)O 1 2.483 2 2 -3.54043735587101 2858278 COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N(C2=N)CC=C.Br Br- 1 3.015 3 2 -8.5314160215823 2858266 C1CC(=C(C1)NNC(=O)C2=CN=CC=C2)C(=O)C(F)(F)F 1 1.326 3 2 0 -8.33208302598484 2858262 CC1=CC=C(C=C1)C(=O)CSC2=CC=CC=C2C(=O)O 1 3.743 0 3 -5.13208847107398 2858238 CC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C(=O)C4C5CCC(C4C3=O)C=C5)[N+](=O)[O-] 1 3.797 3 5 0 1.33325597932325 2858233 CC1CCN(CC1)C2=C(C=C(C=C2)C=NN3C(=NN=N3)N)[N+](=O)[O-] 1 1.806 8 2 0 -7.44375398117572 2858222 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC(C)C3=CC=CC=C3 1 4.007 2 3 -5.34693881011148 2858220 COC1=C(C=C(C=C1)C2=CSC3=NCCN23)F.Br Br- 1 2.018 2 1 -0.805671910176027 2858219 COC(=O)CCC(=O)N(CCN(C1=CC=CC=C1)C(=O)CCC(=O)OC)C2=CC=CC=C2 1 2.273 2 6 0 -13.3465506491085 2858194 COC1=C(C=C2C(NC(=O)CC2=C1)C3=CC=C(C=C3)[N+](=O)[O-])OC 1 2.3 2 5 0 -13.0761134737982 2858180 CN1C2=C(C=C(C=C2)OC)N=C1SCC(=O)C3=CC=C(S3)Br.Br Br- 1 4.395 2 2 -5.48305862236495 2858178 CCOC(=O)C1=C(OC2=C(C1C3=CC=C(S3)C)C(=O)CCC2)N 1 2.066 1 4 -16.7073462600655 2858173 C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(COC4=CC=CC=C4)O.Cl Cl- 1 3.864 3 2 -1.41961705909215 2858163 CC(C1=CC=CC=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)C)O 1 3.135 2 3 -4.76724714743028 2858154 CC(CSC1=NC2=C(N1C)C=CC(=C2)OC)O 1 2.456 2 2 -2.60246257218914 2858149 CCNC(=O)C1CCCC2=C1NC3=C2C=C(C=C3)Cl 1 3.704 2 1 -5.07065505649533 2858122 CCOC(=O)N1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)F 1 1.43 3 4 0 1.27234676655619 2858115 CCC(C(=NNC(=O)C1=CC=CC=C1[N+](=O)[O-])C)C(=O)OCC 1 2.187 3 5 0 -14.3980879113263 2858090 CC1=CC=C(S1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N 1 2.198 2 2 -13.9459187136472 2858071 CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CC=CCC3C2=O 1 2.215 1 4 -5.95066959608194 2858066 COC1=CC=C(C=C1)C=NNC(=O)CN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43 1 3.091 4 4 0 -9.59956316050779 2858051 CC1=CC=C(C=C1)C=NNC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 2.857 4 5 0 -19.9809685752078 2858017 CCOC(=O)C1=C(OC2=C(C1C3=CC=CS3)C(=O)CCC2)N 1 1.92 1 4 0 -21.9809377732326 2858011 CCCCOC1=CC=C(C=C1)NC(=O)CCSC2=NC=CN2C 1 3.203 3 2 -9.00155868128244 2858010 CC(=NNC(=S)N)CC(C)(C)C1CCCCC1 1 3.392 3 0 -6.86138565161607 2858002 CC1=NN(C(C1)(C(F)(F)F)O)C2=NC3=CC=CC=C3S2 1 2.53 3 1 2.66766396108927 2857989 CCNC(=NCC)SC1CC(=O)N(C1=O)C2=CC(=CC=C2)OC 1 2.212 3 3 -4.69587388963762 2857985 CCOC1=CC=C(C=C1)C(C2=NC=CN2C)O 1 1.563 2 2 0 -5.8749122966674 2857976 CCC1=CC=C(S1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N 1 2.407 2 2 -12.6841806216995 2857975 CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC=CC=C4)S2)C 1 4.42 2 5 0 -32.9663717363928 2857969 C1CC2C=CC1C3C2C(=O)N(C3=O)N=CC4=CC=CO4 1 1.607 2 3 0 -0.990682329936313 2857952 C1COCCN1CCN2C3=CC=CC=C3N(C2=N)CC(COC4=CC=CC=C4)O.Cl Cl- 1 2.107 4 3 0 -6.93459492591103 2857944 COC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C3=CC=CC=C3)(C(F)(F)F)O 1 3.433 2 3 1.40288094079436 2857941 COC1=C(C=C2C(NC(=O)CC2=C1)C3=CC(=CC=C3)Br)OC 1 3.154 1 3 -9.99488526245184 2857934 CCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)S(=O)(=O)NC(CC)C(=O)O 1 2.294 2 8 0 -14.408333336394 2857928 CCN1C2=CC=CC=C2N(C1=N)CCO.Cl Cl- 1 0.968 3 1 0 -0.100494074429274 2857923 CC1(CC(=C(C(=O)C1)C#N)NCCCO)C 1 0.211 2 2 0 -7.44766235025199 2857917 CC(=O)N1CCC2=CC(=C(C=C2C1C3=C(C=CC(=C3)OC)OC(=O)C)OC)OC 1 2.568 1 6 0 -15.0435356512581 2857914 C1=CC=C(C=C1)CC(C(=O)NC2=CC(=CC=C2)O)N3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 4.205 2 4 -7.05307773598785 2857902 CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3=CC=CC=C3 1 3.144 1 4 -22.1176199154426 2857894 CCOC(=O)N1C(CC(=N1)C)(C2=CC=C(C=C2)Cl)O 1 2.344 2 3 -2.67234661246467 2857887 CC1=C(C=CC(=C1)CC2=C(NC(=S)NC2=O)O)OC(C)C 1 3.652 2 3 -8.33868441823004 2857882 CCCCCOC1=CC=C(C=C1)C(=NNC2=NCCN2)C 1 2.843 4 1 -7.99811971492687 2857874 C1CN(CCN1CCNC(=O)C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=CC=C3Cl 1 1.995 4 3 0 -14.8407455387172 2857862 CCC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.913 3 4 0 -5.38086383641905 2857839 C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Br)N=C(N2CC(=O)O)C4=CC=CC=C4 1 4.676 2 2 -5.94876196614487 2857826 CC1=C(C(=NN1CC(=O)NCC2CCCO2)[N+](=O)[O-])Br 1 1.225 4 4 0 -20.4263747564526 2857821 CC1=NC2=C(C=C(C=C2)Br)C(N1CC(=O)O)C3=CC=CC=C3 1 3.012 2 2 -8.55717961382246 2857787 CCC[N+]1=C(SC2=C(C=CC(=C21)OC)OC)C.[I-] I- 1 3.45 1 2 -1.89814980893513 2857785 CC1(CC(=O)C(C(C1C(=O)OC)C2=CC3=C(C=C2)OCO3)C(=O)OC)O 1 0.846 0 8 0 -11.0267304882778 2857782 C1C(C2=C(C=CC3=CC=CC=C32)NC1=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.362 2 3 -7.4717285192503 2857771 CCC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)Br 1 2.997 2 2 -17.2571813883102 2857770 CCOC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)Br 1 3.322 2 3 -15.1658765796938 2857746 C1C(=NN(C1(C2=CC=CC=C2O)O)C(=O)C3=CC=CC=C3)C(F)(F)F 1 3.198 2 3 3.19129950124182 2857723 CCOC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)C)[N+](=O)[O-])OC 1 1.307 3 5 0 -24.5893151729701 2857718 CC(C)OCC(CCC1=NNC(=S)N1C2=CC=CC=C2)O 1 2.535 3 2 -8.88139516206543 2857717 CCCOCC(CCC1=NNC(=S)N1C2=CC=CC=C2)O 1 2.682 3 2 -7.65941115578032 2857710 CN(C)CCOC(=O)C(C1CCCC1)(C2=CC=CC=C2)O 1 2.902 1 3 -1.80584478009279 2857660 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC4=CC=C(C=C4)N)N=C2C5=CC=C(C=C5)[N+](=O)[O-] 1 5.896 4 3 0 6.88619613448821 2857627 CC1=CC=CC(=C1)C2=CC3=NC(=CC(=O)N3N2)C4=CC=CC=C4 1 2.784 3 1 2.65708144408152 2857625 C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Br)NC(=O)N2CC(=O)O 1 2.747 2 3 -9.45178110020913 2857622 CC1=CC2=C(C=C1)NC(=O)N(C2C3=CC=CC=C3)CC(=O)OC 1 2.711 2 3 -9.66213908406252 2857621 CC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)O 1 4.483 2 3 -8.72451168677287 2857619 C1C(=O)NC2=C(C=C(C=C2)Br)C(N1)C3=CC=CC=C3Cl 1 3.199 2 1 -7.17502573012333 2857617 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O 1 1.711 6 6 0 -5.18225404561466 2857612 C1CC2=C(C1)N(C3=C(C2=N)CCC3)CC4=CC=C(C=C4)F 1 3.953 2 0 -3.98903232423432 2857606 CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=CC=C3)[N+](=O)[O-] 1 3.075 4 5 0 -5.00666875095492 2857584 CCOC(=O)/C(=C/1\C2=CC=CC=C2CC(N1)(C)C)/C(=O)NC3=CC=CC=C3Cl 1 3.803 2 3 -7.60759407105982 2857579 CC1=CC=C(C=C1)C(=O)ON=C(C2=NON=C2N)N(C)C 1 1.31 5 3 0 -6.40680601394524 2857573 CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)CC3=CC=CC=C3 1 2.387 2 2 -8.41007145015594 2857562 CCOC1=C(C=C(C=C1)C2C(=C(N(C(=O)N2C)C)C)[N+](=O)[O-])OC 1 1.719 3 5 0 -16.0581204858926 2857551 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC(C)C3=CC=CC=C3 1 3.484 2 3 -4.44576301764597 2857540 CCC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC=C(C=C3)Cl 1 3.683 2 2 -1.464467358475 2857537 C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=NC=C6 1 2.649 2 2 -3.28673147873397 2857535 CCC(CC)COC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C 1 3.063 3 5 0 -34.6712076803166 2857521 CCC(CC)COC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)OC)OC)C 1 3.136 2 5 0 -31.8727445594805 2857508 CCN(CC)C1=CC=C(C=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2 1 4.861 3 1 -12.1002048343106 2857506 CC(C1=CC=CC=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC=C)O 1 3.752 2 3 -9.18602792689359 2857478 CC(C)COCC(CC(CC1=CC=CC=C1)C(=O)NN)O 1 1.613 2 3 0 -6.47391366740341 2857477 CC1=C(C(=NN1CC(=O)NCC2=CN=CC=C2)[N+](=O)[O-])[N+](=O)[O-] 1 0.445 6 5 0 -17.192038573001 2857475 CCOC(=O)/C(=C/1\C2=CC=CC=C2CC(N1)(C)C)/C(=O)NC3=CC=CC=C3Br 1 3.887 2 3 -9.0884993753926 2857464 CCN1C(=O)/C(=C/2\N(C3=C(S2)C=CC(=C3)OC)C)/SC1=NC4=CC=C(C=C4)OC 1 4.965 3 3 1.38490637450828 2857436 C1CCC2(CC1)N=C(C3N2C3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5 1 4.605 3 2 1.05691061145974 2857434 C1CC(C(=O)NC1)C(=O)NN=CC2=CC=CC=C2 1 0.915 3 2 0 -16.9748030808601 2857421 C1C2CN(CC1C3=CC=CC(=O)N3C2)CC4=C(C(=CC=C4)Cl)Cl 1 3.111 2 1 1.52104352900279 2857420 CC1=CC2=C(C=C1)OC=C(C2=O)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 1 1.786 2 3 0 -0.531206146024735 2857416 COC1=C(C=C(C=C1)CN2CC3CC(C2)C4=CC=CC(=O)N4C3)OC 1 1.749 2 3 0 -3.4295759738044 2857390 C1C2CN(CC1C3=CC=CC(=O)N3C2)CC4=CC5=C(C=C4)OCO5 1 1.55 2 3 0 -0.409949271112802 2857375 C1CCN(C(C1)C2=CN=CC=C2)CC3=CC(=CC=C3)Cl 1 3.946 2 0 7.01638327050135 2857365 COC1=CC=CC(=C1)CN2CCCCC2C3=CN=CC=C3 1 3.265 2 1 4.47191131663542 2857361 C1C2CN(CC1C3=CC=CC(=O)N3C2)CC4=C(C=CC=C4Cl)Cl 1 3.111 2 1 -1.58461347648411 2857352 CC1=CC=C(C=C1)CN2CC3CC(C2)C4=CC=CC(=O)N4C3 1 2.268 2 1 1.41042807499212 2857342 CN1CCC(CC1)N2CC3CC(C2)C4=CC=CC(=O)N4C3 1 0.309 3 1 0 0.929248351377226 2857335 CC1=C(C=CC(=C1)CN2CCCCC2C3=CN=CC=C3)OC 1 3.752 2 1 5.72350109596385 2857326 C1CCN(C(C1)C2=CN=CC=C2)CC3=CC4=C(C=C3)OCO4 1 3.05 2 2 3.29577895668472 2857324 COC1=CC(=CC(=C1OC)OC)CN2CC3CC(C2)C4=CC=CC(=O)N4C3 1 1.733 2 4 0 -3.83851781983446 2857310 C1C2CN(CC1C3=CC=CC(=O)N3C2)CC4=C(C=CC=C4Cl)F 1 2.652 2 1 -3.04512344523529 2857305 COC1=CC=CC=C1CN2CCCCC2C3=CN=CC=C3 1 3.265 2 1 1.93148669681389 2857291 CC1=C(SC(=N1)NN=CC2=CC=C(C=C2)C(=O)OC)C 1 2.092 3 2 -3.88348890482989 2857288 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCN4CCOCC4 1 3.148 5 1 -8.16616676628583 2857283 CC1=NN(C=N1)C23CC4CC(C2)CC(C4)C3 1 1.894 3 0 0 1.04894407117861 2857275 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCN4CCCCC4 1 4.378 5 0 -5.76756055537375 2857271 CC(C)OC1=CC=C(C=C1)C=NNC(=O)C(C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 2.829 3 5 0 -9.01681110069633 2857252 CC(=NNC(=O)CC1=CC=CC=C1)C2=CC=CS2 1 2.652 2 1 -9.12028990417201 2857245 CC1=C(C(=CC=C1)N2C(=O)C3C4CC(=O)C(C3C2=O)C5=CC=CC=C45)C 1 2.954 1 3 -1.18955141965839 2857238 CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)OC3=CC=CC=C3 1 3.718 2 3 -12.6524692276033 2857219 C1CCC(CC1)C=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 4.771 2 2 -6.84250115500458 2857215 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3 1 5.274 1 6 0 -24.2983076068458 2857167 CCOC1=CC=C(C=C1)C=NNC(=O)C(C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 2.452 3 5 0 -8.96440769072258 2857158 CCC(=O)NC(C(C1=CC(=CC=C1)[N+](=O)[O-])O)C(=O)OCC 1 1.199 2 6 0 -15.4010844818283 2857157 CC(C(=O)OC)N(C1=CC=C(C=C1)OC)S(=O)(=O)C 1 1.121 1 5 0 -7.96686996706257 2857154 CC1=NC(=NN1C23CC4CC(C2)CC(C4)(C3)Br)[N+](=O)[O-] 1 2.624 4 2 -0.906419681212132 2857138 CCOC(=O)C1=NNC2C1C(=O)N(C2=O)CC3=CC=CC=C3 1 0.528 3 4 0 -9.17258363786458 2857128 C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C=NNC(=O)CSCC3=CC(=CC=C3)Cl 1 3.914 3 3 -14.4039524940401 2857126 CC1=CC(=NC(=N1)SC(C)C(=O)NN=CC2=CC=CS2)C 1 2.821 4 1 -9.94229235513894 2857099 CC1(CC2=C(C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5N2)C(=O)C1)C 1 3.19 2 2 -23.3154395141574 2857081 COC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 4.058 1 4 -6.26544196201143 2857076 CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)Br 1 3.453 2 1 -3.94030389690065 2857075 C1CC12C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)Cl 1 1.694 2 3 0 -5.54415206825396 2857069 CCOC1=CC=C(C=C1)NC(=O)C2C(C2(Cl)Cl)C3=CC=CC=C3 1 3.758 1 2 -0.583411942373192 2857066 CCOC(=O)COC1=C(C=C(C=C1)N)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C 1 0.994 2 8 0 -12.1149176984524 2857041 CC(C(=O)NN=CC1=CN=CC=C1)N(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 0.969 4 4 0 -7.62552524060919 2857034 CC(=NNC(=O)C1=C(C=C(C=C1)O)O)CN2N=C(N=N2)[N+](=O)[O-] 1 0.492 7 5 0 -3.72250433686411 2857031 C1=CC=C2C(=C1)N=C(S2)NN=CC3=CC=CC=N3 1 2.715 4 0 5.39995170870824 2857028 CCOC1=C(C=C(C=C1)C=NNC(=O)C(C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C)OCC 1 2.784 3 6 0 -13.1223579002307 2857021 C1C2C=CC1C3C2C(=O)N(C3=O)CCC4=CC=CC=C4 1 2.015 1 2 -1.20381807645795 2857006 CCOC1=CC=C(C=C1)N(CC(=O)NN=C2CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.804 4 4 0 -13.4092075588583 2857002 CC1=CC=C(C=C1)C2(CC2C(=O)NCC3=CN=CC=C3)C4=CC=C(C=C4)C 1 4.059 2 1 -4.45796850140324 2856996 C1CC2=C(C(C3C(=N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl)C(=O)C1 1 4.221 1 2 -9.29031103095341 2856987 CCN(CC)CC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O 1 4.034 1 3 -11.4089242780272 2856976 COC1=C(C=C(C=C1)CN2CCCCC2C(=O)NC3=CC(=C(C=C3)OC)OC)OC 1 3.527 2 5 0 -11.8663760927476 2856957 COC1=C(C=C(C=C1)CCN2C(=O)C3C4C=CC(C3C2=O)C45CC5)OC 1 2.068 1 4 -7.88860167148901 2856948 C1C2C3C(C(C1=O)C4=CC=CC=C24)C(=O)N(C3=O)CCC5=CC=CC=C5 1 2.309 1 3 -6.99100623731244 2856918 CC1=CC=C(O1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)C 1 2.498 2 2 -1.95642709780141 2856917 C1C2C=CC1C3C2C(=O)N(C3=O)NC(=O)C4=CC=NC=C4 1 -0.207 3 3 0 -5.09235103319301 2856916 CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)N 1 2.176 5 1 -10.6594397508841 2856914 C1CC2=C(C(C3C(=N2)C4=CC=CC=C4C3=O)C5=CC=CC=C5)C(=O)C1 1 3.557 1 2 -11.7330764028129 2856903 C1=CC=C(C=C1)C2C(C2(Cl)Cl)C=NNC(=O)C3=CC(=CC=C3)Br 1 4.136 2 1 -2.7002394893007 2856883 C1C2C3C(C(C1=O)C4=CC=CC=C24)C(=O)N(C3=O)CCO 1 -0.135 1 4 0 -7.19976439668056 2856874 C1CC12C3C=CC2C4C3C(=O)N(C4=O)NC(=O)CC5=CC=CC=C5 1 1.065 2 3 0 -7.40491232176185 2856858 C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCN4CCOCC4 1 3.416 5 1 -12.0802786579079 2856850 CC(=NNC(=O)C1=CC=CC=C1)CN2N=C(N=N2)[N+](=O)[O-] 1 0.976 7 3 0 -10.441889301339 2856844 COC1=CC=C(C=C1)C2C3=C(C4CCN3CC4)NC(=S)N2 1 2.312 3 1 -7.80392601470839 2856837 CC(=NNC(=O)CN(C1=CC(=C(C=C1)OC)Cl)S(=O)(=O)C2=CC=CC=C2)C3=CC=CS3 1 3.81 3 4 0 -19.1363176896357 2856818 C1CC(=O)NC1C(=O)NCC2=CN=CC=C2 1 -0.743 3 2 0 -16.8227468220294 2856806 CC1=CC(=C(C=C1)C)NC(=O)C2C(C2(Cl)Cl)C3=CC=CC=C3 1 4.398 1 1 -0.544939421780828 2856803 COC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3 1 3.946 1 5 -9.84242851802462 2856772 CC1=CC=C(C=C1)C2(CC2C(=O)NC(C)C)C3=CC=C(C=C3)C 1 4.352 1 1 -5.62642519883598 2856769 CC(C(=O)NN=CC1=CC=C(C=C1)OC)N(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 2.103 3 5 0 -8.46626070088841 2856766 C1CN2CCC1C3=C2C(NC(=S)N3)C4=CC=C(C=C4)F 1 2.533 3 0 -6.679082780099 2856746 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3C2=O 1 3.598 3 5 0 -12.7405506636381 2856745 CC1CCCCN1C(=S)NC(=O)C2=CC=CC=C2 1 3.742 2 1 -11.8739043891972 2856716 C1=CC=C(C=C1)C2C=CC(C3C2C(=O)N(C3=O)CCO)C4=CC=CC=C4 1 2.463 1 3 -0.575058755042906 2856705 COC1=C(C=C(C=C1)CN2CCCC2C(=O)NC3=CC(=C(C=C3)OC)OC)OC 1 3.07 2 5 0 -11.1705605305869 2856677 C1CC12C3C=CC2C4C3C(=O)N(C4=O)CCC5=CC=CC=C5 1 2.101 1 2 -4.29233563875543 2856672 C1CC12C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC=NC=C5 1 -0.121 3 3 0 -8.18086859549049 2856664 CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC2=CC=CC=C2 1 1.936 2 3 0 -12.1596358986353 2856656 CCC(C)C(C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)NS(=O)(=O)C4=CC=C(C=C4)C 1 5.341 1 6 0 -26.8208476105993 2856645 CC(C(=O)NN=CC1=CC(=C(C=C1)OC)OC)N(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 2.087 3 6 0 -11.7633186684849 2856644 CC1(CC(=CC(=O)C1)NC2CCCCCC2)C 1 3.163 1 1 -14.8736275359457 2856642 CC(C(=O)NN=C1CCCCCCC1)N(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 2.757 3 4 0 -11.8503616251449 2856632 CC1(CC(C2=CC=CC=C2N1C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])(C)C4=CC=CC=C4)C 1 5.213 3 5 0 -12.2501564747965 2856630 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4F)C(=O)C1)C 1 4.043 2 1 -24.965183231618 2856627 CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)N=CN(C)C)C 1 1.281 4 3 0 -15.3537254799831 2856620 CC1=C(C=C(C=C1)NC(=O)CC2CS(=O)(=O)CC2CC(=O)NC3=CC(=C(C=C3)C)C)C 1 3.49 2 4 -8.71916473314347 2856618 C1COC2=C(O1)C=CC(=C2)C(=O)CCCO 1 1.253 0 4 0 -4.65240059542819 2856612 CC(=O)NC(CC(=O)O)C1=CC=C(C=C1)[N+](=O)[O-] 1 0.61 2 5 0 -10.5820218380934 2856609 CCNC(=S)NNC(=O)C1=CC(=CC=C1)Br 1 2.516 3 1 -8.65779409695704 2856593 C1CCC2(CC1)N=C3C(=CC=C(C3=NCCO)[N+](=O)[O-])N2O 1 0.896 4 4 0 -2.31338386348322 2856584 CC1(CC(CC(N1)(C)C)N=C2C(=CC=C3C2=NC4(N3O)CCCCC4)[N+](=O)[O-])C 1 2.176 5 3 0 -4.67194321743296 2856523 CC1=CC=C(C=C1)NC2=C(C=CC3=NC4(CCCCC4)N=C32)[N+](=O)[O-] 1 3.835 4 2 1.16306420284609 2856552 C1CCC(CC1)N=C2C(=CC=C3C2=NC4(N3O)CCCCC4)[N+](=O)[O-] 1 3.294 4 3 0 1.02207605951597 2856542 C1CCC2(CC1)N=C3C=CC(=C(C3=N2)NC4=CC=CC=C4Cl)[N+](=O)[O-] 1 4.014 4 2 0.742138422057848 2856530 C1=CSC(=C1)C=NNC2=C(C(=C(C(=C2F)F)C(F)(F)F)F)F 1 5.166 2 0 -4.55059431236845e-002 2856499 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 1.505 3 3 0 -23.7921031549175 2856480 C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CS3)C4=CC=CC=C4 1 4.369 2 1 -10.2889470221451 2856472 CC1=CC=CC=C1C(=O)NNC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O 1 1.726 3 4 0 -17.6118483509177 2856466 CC1=C(C=C(C=C1)NC(=O)C2CCCCC2C(=O)O)Cl 1 3.412 1 3 -3.26956217293405 2856461 COC1=CC(=C(C=C1)C=NNC2=CC=CC=N2)OC 1 2.804 3 2 3.78350258717663 2856444 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CO3 1 0.608 2 5 0 -25.3808831505004 2856422 C1COC2(O1)C3=C(C=CC(=C3)F)NC2=O 1 0.725 1 3 0 -6.94400558901401 2856395 CC1(CC(NC2=CC=CC=C2N1)C3=C(C=C(C=C3)OC)OC)C4=C(C=C(C=C4)OC)OC 1 4.692 2 4 -4.1575965490717 2856381 C1=CC=C(C=C1)CN2C(=O)C(NC2=S)CC3=CC=C(C=C3)O 1 3.52 2 2 5.56283113730967e-002 2856365 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)F 1 2.578 2 2 -2.77395523331215 2856360 C=CCN1C(=O)C(SC1=NC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3Cl 1 5.039 2 3 -9.06114869193548 2856357 CCC1=CC=C(C=C1)NC(=O)C2CCCCC2C(=O)O 1 3.203 1 3 -3.94085616262186 2856339 C1CCC(C(C1)C(=O)NC2=CC=CC=C2F)C(=O)O 1 2.467 1 3 -4.31834433042117 2856291 C1=CC=NC(=C1)NN=CC2=C(C=CC(=C2)Br)OCC(=O)O 1 3.05 3 3 0.561622960385524 2856289 CCSC1=NC2=C(C3=CC=CC=C3NC(O2)(C)C)N=N1 1 3.191 4 1 -7.2356974091549 2856288 COC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3CCCCC3 1 2.023 2 4 -15.0356544711036 2856224 C1C(N(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3)C4=CC=CO4 1 4.675 2 1 -5.81279911633762 2856210 CC1=C(C2C(C1=NO)C2(C)C)C#N 1 1.532 2 1 0 -1.6081569980957 2856194 C=CCN1C(=O)C(SC1=NC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3 1 4.375 2 3 -9.38898194250777 2856177 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)O 1 0.729 1 5 0 -11.6220742356317 2856163 COC1=CC=C(C=C1)CC2C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)CC=C 1 4.358 2 4 -8.98713324687231 2856131 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCCCC(=O)O 1 1.49 1 6 0 -17.570465247862 2856130 C1=CC=NC(=C1)NN=CC2=CC=C(C=C2)C(=O)O 1 2.467 3 2 1.04094322287973e-005 2856113 CCOC1=CC=CC=C1N2C(=O)CC(C2=O)N(C3=CC=CC=C3)O 1 2.844 2 4 -7.28747576057204 2856094 CC(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl)NC(=O)OCC4=CC=CC=C4 1 5.581 1 6 0 -7.81968863591262 2856077 CCC1=CC=C(C=C1)NSC2=CC=CC=C2[N+](=O)[O-] 1 4.807 2 2 -1.22347060849775 2856025 C1=CC2=C(C(=C1)NN=CC3=CC(=CC=C3)O)N=CC=C2 1 3.393 3 1 2.1043221375544 2856014 C1CN(CCN1CCNC(=O)C(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 1.878 5 4 0 -9.16705432868833 2856001 COC1=CC=C(C=C1)NC(=O)C(=O)NCCCN2C=CN=C2 1 9.2e-002 4 3 0 -9.4477191790598 2855983 CC1=CC=C(C=C1)CC2C(=O)N(C(=NN=CC3=CC=CO3)S2)CC=C 1 4.695 3 2 -10.04756683487 2855982 CC1=CC=C(C=C1)N2C(CC(=N2)C3=CC=C(C=C3)F)C4=CC=CO4 1 5.161 2 1 -5.45410169467061 2855947 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC=CC=C3 1 2.82 2 2 -6.18270387845878 2855940 CC(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl)NC(=O)OC(C)(C)C 1 4.928 1 6 0 -11.7364549396664 2855931 CCCCOC1=CC=C(C=C1)NC(=O)C2CC=CCC2C(=O)O 1 3.129 1 4 -5.92577180181467 2855880 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OCCOC 1 2.204 1 6 0 -40.3709632409335 2855874 CCOC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC=C 1 2.994 2 2 -16.5881784950373 2855873 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OC)OC)C(=O)OCC3=CC4=C(C=C3)OCO4 1 2.383 2 7 0 -35.0276183694212 2855866 CC1CCN(CC1)CC(COC2=CC=C(C=C2)OCC(CN3CCC(CC3)C)O)O 1 3.391 2 4 -6.07620337442153 2855849 CC1=CC(=C(C=C1)C)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O 1 2.955 2 3 -14.8646321832946 2855847 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)OC)C(=O)OCC3=CC=CC=C3 1 2.39 2 5 0 -28.0589955005917 2855826 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)OCCOC 1 1.598 2 4 0 -30.9947279632084 2855815 C1CSCCN1C2CC(=O)N(C2=O)C3=CC(=CC=C3)Cl 1 2.112 2 2 7.94566771701701 2855802 COC1=CC=C(C=C1)OCCNC2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.813 2 4 -0.614522148618549 2855787 CCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OC3CCCCC3 1 3.255 2 4 -35.2397058008661 2855781 CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)NC2C3=CC(=C(C=C3)O)[N+](=O)[O-])C 1 2.787 3 6 0 -27.3371991669445 2855777 CC(C(=O)NN=C1CCN(CC1)C)SCC2=CC=CC=C2 1 2.063 3 1 -8.55761603850531 2855757 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OC)OC)C(=O)OCC3=CC=C(C=C3)OC 1 2.599 2 6 0 -33.4044840393383 2855739 CN1CCC(=NNC(=O)C(=O)NC2=CC(=CC=C2)Br)CC1 1 1.193 4 2 0 -5.30245332784955 2855725 CC1=C(C(NC(=O)N1)C2=CC=CC=C2Cl)C(=O)OCC3CCCO3 1 2.088 2 4 -35.1489529661395 2855715 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)OCC(C)C 1 2.462 2 3 -31.9761760936088 2855710 C=CCSC1=C(C(CC(=O)N1)C2=CC=CC=C2Cl)C#N 1 3.326 2 1 -16.1109258314542 2855699 CC1=NC=CN1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O 1 3.02 3 1 4.92891653439819 2855690 CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)Br)C(=O)OCC3=CC=C(C=C3)OC 1 3.38 2 4 -28.6658652483876 2855653 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)O)C(=O)OC3CCCCCCC3 1 3.593 2 4 -30.9384804086927 2855639 CCC(C)OC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)F)C 1 2.52 2 3 -30.4461352540488 2855627 COC1=CC(=CC=C1)OCCNC2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.813 2 4 -1.19868920881671 2855603 CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OCC3CCCO3 1 1.374 2 7 0 -38.541229436881 2855594 CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC)C(=O)OCC3CCCCC3 1 3.237 2 4 -28.5350194496383 2855592 CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)N(C)C)C(=O)OCCOC 1 2.141 2 4 -38.8254450703222 2855584 C1CN(CCN1CCOC2=NON=C2C3=CC=CC=C3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl 1 4.43 5 4 0 6.5493742132295 2855572 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)OC)C(=O)OCC3CCCO3 1 1.165 2 6 0 -33.8458786259914 2855568 CCCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=CC=C2Cl)C#N 1 3.289 2 3 -21.2007920716416 2855564 CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCC3CCCO3 1 1.423 2 4 0 -36.5046620305289 2855537 CC1=CC=C(O1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3 1 2.959 2 2 -17.3896718461944 2855536 C1CC12C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=CO5 1 1.237 2 3 0 -3.44848018203409 2855521 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)OCC3=CC=C(C=C3)OC 1 2.837 2 4 -29.0806565511331 2855520 CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC3=CC4=C(C=C3)OCO4 1 2.31 3 7 0 -34.0133114937851 2855510 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)OCC3CCCO3 1 2.088 2 4 -34.2303096556818 2855502 CC1=C(C(NC(=O)N1)C2=C(C(=CC=C2)OC)OC)C(=O)OCC3=CC=C(C=C3)OC 1 2.599 2 6 0 -30.7552208636521 2855487 C1CC12C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=C(O5)[N+](=O)[O-] 1 1.256 3 5 0 -2.75303106271784 2855455 CC1CCN(CC1)C2=CC(=C(C=C2C=NN3C(=NN=N3)N)[N+](=O)[O-])N4CCC(CC4)C 1 3.137 9 2 0 -7.06417961301447 2855449 C1=CC(=CC=C1C(=O)ON=C(C2=NON=C2N)N)Cl 1 1.076 5 3 0 -3.53214440765516 2855431 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)OCC3CCCCC3 1 3.459 2 3 -29.8043541826402 2855414 CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)NC2C3=CC(=C(C(=C3)OC)OC)OC)C 1 3.085 2 6 0 -32.0523940840174 2855406 CCSCCOC(=O)C1=C(NC(=O)NC1C2=C(C(=CC=C2)OC)OC)C 1 1.994 2 5 0 -37.2920120151855 2855400 CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCC3=CC4=C(C=C3)OCO4 1 2.416 2 5 0 -31.6304537864455 2855384 CN1CCC(=NNC(=O)C(=O)NC2=CC=C(C=C2)Br)CC1 1 1.193 4 2 0 -6.3958309208495 2855383 CC1=NC2=CC=CC=C2N1CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O 1 4.649 3 1 6.77886415718128 2855382 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)O)C(=O)OC3CCCCC3 1 2.681 2 4 -30.9384804086927 2855366 CC1CC(=CC(C1COC(=O)CN2CCCCC2)C)C 1 3.638 1 2 -6.29096554568371 2855357 CC1=CC(=CC=C1)OCCNC2=C(C=CC(=C2)N3CCN(CC3)C)[N+](=O)[O-] 1 3.771 4 3 0 3.017101219238 2855347 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)OC)C(=O)OCC3CCCCC3 1 2.995 2 5 0 -28.3098014878282 2855339 COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)OC)OC 1 2.526 1 6 0 -20.3393714452319 2855331 CC1=CC=C(S1)C2CC(=O)NC(=C2C#N)SCC(=O)N 1 0.787 3 2 0 -15.3385158659895 2855321 CC1=CC=C(C=C1)C2C(=C(N(C(=O)N2)C)C)C(=O)OC 1 1.757 2 3 0 -18.6491404914568 2855319 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)O)C(=O)OCC3CCCCC3 1 3.011 2 4 -28.6363570969663 2855312 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 3.431 3 4 0 0.164927016951407 2855283 C1CC12C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC(=CC=C5)[N+](=O)[O-] 1 1.736 3 4 0 -4.84578875379182 2855280 CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.67 1 8 0 -13.8199352085194 2855266 CC(CNC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2Br 1 3.515 3 3 -10.328129645146 2855252 CCCSC1=C(C(CC(=O)N1)C2=C(C=CC(=C2)OC)OC)C#N 1 2.885 2 3 -15.6224215705738 2855251 C1CN(CCN1CCOC2=NON=C2N)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4 1 1.798 7 4 0 -1.549866452197 2855241 CC1=C(C(NC(=O)N1)C2=CC=CC3=CC=CC=C32)C(=O)OCCOC 1 1.842 2 4 0 -29.7753283927413 2855239 CC(C(=O)NN=C1CCN(CC1)C)SC2=CC=CC=C2 1 2.056 3 1 -6.14863791473263 2855227 CC(CCCC(C)(C)O)NCCO 1 0.763 1 2 0 -7.91670475780649 2855211 CN1CCC(=NNC(=O)C(=O)NC2CCCCC2)CC1 1 0.726 4 2 0 -9.13716976374507 2855207 CC1=CC(=CC(=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)C 1 2.955 2 3 -14.2635504226007 2855196 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)OC)C(=O)OCC3=CC=C(C=C3)OC 1 2.373 2 6 0 -27.4883739560468 2855190 CC1(CC2=C(C(CC(=O)N2)C3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)C1)C 1 2.128 4 2 -24.9320515636822 2855188 CC1CN(CC(O1)C)C(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O 1 1.055 2 4 0 -17.1924145891226 2855175 COC1=CC=C(C=C1)OCCNC2=C(C=CC(=C2)N3CCCCC3)[N+](=O)[O-] 1 4.228 3 4 0 -1.47255184203651 2855171 C1=CC(=CC=C1C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])Cl 1 3.054 3 3 -8.01172315279528 2855163 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)N(C)C)C(=O)OCCOC 1 2.598 2 4 -39.8355841155364 2855150 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OC)C(=O)OCC3=CC=C(C=C3)OC 1 2.615 2 5 0 -30.6188525188159 2855126 CCC1C(NC(CC1=NO)C2=CC=CO2)C3=CC=CO3 1 2.336 2 3 -1.43037487668948 2855111 COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)N3CCOCC3)OC 1 0.999 2 5 0 -5.85372422332156 2855109 C1CSCCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br 1 2.196 2 2 4.36470613898647 2855106 C1CC2C=CC1C3C2C(=O)N(C3=O)C4=CC(=CC=C4)Br 1 2.891 1 2 3.42766671223621 2855103 CC1=C(C(NC(=O)N1)C2=CC=CC=C2F)C(=O)OCC3CCCCC3 1 3.459 2 3 -29.4133402232903 2855089 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 1.625 3 5 0 -8.90606148943885 2855076 C1CN(CCN1C2CC(=O)N(C2=O)CCC3=CC=CC=C3)C(=O)C4=CC=CC=C4 1 2.225 3 3 -4.44845923904555 2855056 CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OC 1 0.933 3 7 0 -20.4730500611433 2855055 CCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CN=C2OC 1 2.234 4 4 0 -17.0094731473679 2855032 CN1CCC(=NNC(=O)C(=O)NC2=CC=C(C=C2)F)CC1 1 0.65 4 2 0 -6.04929284086963 2855027 CC1=C(C(NC(=O)N1)C2=CC=CC=C2OC(C)C)C(=O)OCC3=CC=C(C=C3)OC 1 3.342 2 5 0 -32.134786812276 2855016 CCCOC(=O)C1=C(NC(=O)NC1C2=CC=CC3=CC=CC=C32)C 1 2.845 2 3 -27.685711086506 2855009 CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC3=CC=C(C=C3)OC 1 3.122 2 6 0 -26.2920125125144 2854999 CC1=CC=CC=C1OCCNC2=C(C=CC(=C2)N3CCCCC3)[N+](=O)[O-] 1 4.73 3 3 -0.575890778266894 2854991 COC1=C(C=C(C=C1)CCNC2CC(=O)N(C2=O)CCC3=CC=CC=C3)OC 1 2.68 2 4 -11.0407494677413 2854980 CC1=CC(=NN1C(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)C 1 1.724 3 3 0 -13.2011020671405 2854979 CCCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2Br)OCO3)C 1 2.453 2 5 0 -30.2251251212805 2854978 CC1=CC(=C(C=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)C 1 2.955 2 3 -15.8483315965786 2854974 COC1=CC(=CC=C1)OCCNC2=C(C=CC(=C2)N3CCCCC3)[N+](=O)[O-] 1 4.228 3 4 0 -2.05671890223468 2854952 C1C(C2=C(C3=CC=CC=C3C=C2)NC1=O)C4=CC=CS4 1 3.21 1 1 -3.54456289931631 2854948 CN(C)C1=CC=C(C=C1)C2C3=C(C4=C(CC3)C=C(C=C4)OC)NC(=S)N2 1 4.479 3 1 -14.759534038781 2854943 CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Br)OCO4)C(=O)OCCOC 1 2.495 1 6 0 -37.5015916842925 2854935 CCC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC(C)C 1 3.421 2 3 -22.2560318022953 2854934 CC1=C(C=C(C=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)C 1 2.955 2 3 -14.1227012384108 2854923 CCSC1=C(C(CC(=O)N1)C2=CC=C(S2)C)C#N 1 2.282 2 1 -10.0668443651949 2854922 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)OCC3CCCO3 1 1.629 2 4 0 -35.3404313208034 2854904 COC1=CC=CC=C1OCCNC2=C(C=CC(=C2)N3CCCCC3)[N+](=O)[O-] 1 4.228 3 4 0 -4.53635333112772 2854878 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3 1 2.542 3 5 0 -32.3598230082261 2854860 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)OCC3=CC4=C(C=C3)OCO4 1 2.068 3 8 0 -29.0162302629283 2854855 CCOC(=O)C1C2CCCC2CNC1=O 1 0.921 1 3 0 -10.9532528278405 2854854 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)O)C(=O)OCC3CCCO3 1 1.181 2 5 0 -34.1724342351295 2854847 CC1=CC(=NC(=O)N1CC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O)C 1 4.656 3 2 3.55856843627907 2854843 CC1=CC(=CC(=C1)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C.Br Br- 1 4.237 3 2 -5.57434158183372 2854837 CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC)C(=O)OCC3CCCO3 1 1.407 2 5 0 -34.0710965878015 2854832 COC1=CC=C(C=C1)OCCNC2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-] 1 2.998 3 5 0 -3.06163796474928 2854824 CC1=C(SC=C1)C2CC(=O)NC(=C2C#N)SC 1 2.274 2 1 -10.5922052674385 2854818 CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)O)C(=O)OCC3CCCO3 1 1.181 2 5 0 -34.1854975327652 2854802 CCC1C(NC(CC1=O)C2=CC=CO2)C3=CC=CO3 1 2.268 1 3 -4.20988867131143 2854770 CC1=CC=C(O1)C=NN2C(=O)C3C4C=CC(C3C2=O)C45CC5 1 1.382 2 3 0 -3.40260036747949 2854762 CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(S2)C)C#N 1 1.989 2 3 0 -18.5057246741771 2854758 CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)O)C(=O)OCC3CCCCC3 1 3.011 2 4 -28.6494203946021 2854750 CC1CC(C(CN1C)C)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.151 1 2 -7.87448575818097 2854732 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)O)C(=O)OCC3=CC=C(C=C3)OC 1 2.39 2 5 0 -27.9126594654592 2854714 CN1CCC(=NNC(=O)C(=O)NCC2=CC=CC=C2)CC1 1 0.451 4 2 0 -9.86678745652552 2854692 CC1=CC(=NC(=O)N1CC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O)C 1 4.824 3 2 2.73292999781375 2854689 CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCC#N 1 1.56 3 5 0 -32.6133064283846 2854688 CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)OC 1 2.632 2 4 -30.2448872608586 2854687 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCC3CCCO3 1 2.752 2 4 -34.2562933337506 2854685 C1CSCCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)F 1 1.654 2 2 0 4.71124421896634 2854677 COC1=CC=CC=C1OCCNC2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-] 1 2.998 3 5 0 -6.12543945384049 2854665 CC(C(=O)O)N=C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.08 2 4 -7.03196095604242 2854663 CCOC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SC 1 2.378 2 2 -12.0519216112921 2854661 CC1=CC(=CC=C1)OCCNC2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-] 1 3.501 3 4 0 -1.55139029948843 2854644 CCCCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OCCOC 1 2.246 2 5 0 -34.9608539502348 2854638 C1C(C2=C(C3=CC=CC=C3C=C2)NC1=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.362 2 3 -3.80608488777734 2854637 CC(=C)CSC1=C(C(CC(=O)N1)C2=CC=CC=C2)C#N 1 3.108 2 1 -19.2953087201673 2854626 CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)Cl)C#N)CC(C)C)C(=O)C 1 4.532 2 2 -24.3253864819354 2854623 COC1=CC=CC(=C1)C2CC(=O)NC(=C2C#N)SC 1 2.029 2 2 -9.33580717075328 2854593 CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)OC)OC)C(=O)OCC3=CC=C(C=C3)OC 1 2.599 2 6 0 -29.9761475019536 2854583 CC(=O)C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCOCC4 1 2.045 2 4 -4.05551742797832 2854580 COC1=CC=C(C=C1)CCNC2CC(=O)N(C2=O)CCC3=CC=CC=C3 1 2.696 2 3 -7.32129497514021 2854579 C1CC2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)Cl 1 2.807 1 2 3.02858862473189 2854569 CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCCCC3 1 2.817 3 5 0 -35.51372800721 2854561 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)OCC=C 1 2.346 2 3 -32.7157785204404 2854560 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OC)OC)C(=O)OC3CCCCC3 1 2.89 2 5 0 -36.5280348828462 2854559 CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=CC=C2)OC 1 1.759 0 7 0 -10.3329016364149 2854555 CC1=C(C(NC(=O)N1)C2=CC=CC3=CC=CC=C32)C(=O)OCCOC(C)C 1 2.568 2 4 -32.1419432430357 2854551 CCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OCC3=CC=CO3 1 2.162 2 5 0 -33.7796253326739 2854540 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)OC3CCCCC3 1 3.128 2 3 -32.1064774943666 2854513 CC1=C(C(NC(=O)N1)C2=C(C(=CC=C2)OC)OC)C(=O)OCCSC 1 1.646 2 5 0 -34.3033492287488 2854508 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC4=C(C=C3)OCO4 1 3.08 2 5 0 -29.3561014115985 2854501 CCOC1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O 1 2.315 2 4 -15.0539757846228 2854500 CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C(=O)OCCOC 1 1.746 1 6 0 -39.3608241957193 2854488 CN1CCC(=NNC(=O)C(=O)NC2=CC=CC=C2)CC1 1 0.444 4 2 0 -6.91782400470823 2854484 CC1=CC(=NC(=O)N1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)C 1 3.327 3 2 -0.319891246116812 2854463 CCOC(=O)CC1=CC(=C(C=C1CC2=CC(=C(C=C2CC(=O)OCC)OC)OC)OC)OC 1 4.217 0 8 0 -8.37351713743805 2854462 CCCCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OCC3=CC=CO3 1 3.142 2 5 0 -33.635419987209 2854457 CC1=C(C(NC(=O)N1)C2=CC=CC=C2F)C(=O)OCC3=CC=C(C=C3)OC 1 2.837 2 4 -28.6896425917832 2854448 CC1CN(CC(O1)C)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 0.819 2 4 0 -15.3503138172493 2854447 CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC3CCCCC3)O 1 3.344 2 5 0 -29.1645602298517 2854445 CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)OCC3CCCCC3 1 3.659 2 5 0 -27.9298506611344 2854444 CCCCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OCCOCC 1 2.595 2 5 0 -37.4301476119337 2854424 CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)O)C(=O)OC3CCCCCCC3 1 3.593 2 4 -30.9515437063285 2854422 CC1C(NC(C(C1=NO)C)C2=CC=CC=C2)C3=CC=CC=C3 1 3.765 2 1 1.05560697265484 2854421 CN1CCC(=NNC(=O)CSCC2=CC=CC=C2)CC1 1 1.578 3 1 0 -10.307545866568 2854407 CC1=C(C=CC(=C1OC)CN2CCCCC2C3=CN=CC=C3)OC 1 3.735 2 2 6.44030819592826 2854401 CC(C1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)N(C)C 1 4.728 1 1 -0.16020777233365 2854389 C1CCN(CC1)CP(=O)(C2CCCCC2O)O 1 1.539 1 3 0 -1.29640725238478 2854382 CC(C1=CC=CC=C1C(C2=CC=CC=C2)O)N(C)C.Cl Cl- 1 3.288 1 1 -3.2611358532587 2854378 CCN1C(=O)C2=CC=CC=C2C(=N1)C(C)C(=O)NCCN(CC)CC.Cl Cl- 1 2.076 4 2 -11.9780197057084 2854363 C1=CC(=CN=C1)CNC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-] 1 1.49 4 6 0 -5.73434652824091 2854355 CC(=NNC(=S)N)CC1CC2=C(CC1(C)C)C(CCC2)(C)C 1 4.383 3 0 -1.41131312166952 2854345 CC1=CC(=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3C(C)N(C)C)O)C 1 5.7 1 1 2.16270238944472 2854311 CC1CC2C3CCC4CC(CCC4(C3=CCC2(C1(C(=O)C)O)C)C)O 1 3.208 0 3 -7.28375606408375 2854294 C1=CSC(=N1)NC(=O)CCCC(=O)OCC(C(F)F)(F)F 1 1.479 2 3 0 -17.2795056973198 2854273 CC1=C(C(=CC=C1)C)NC(=O)CC(C)C2=CC=CC=C2 1 4.329 1 1 -7.54184696012037 2854256 COC1=CC=C(C=C1)NC(=O)CCCC(=O)OCC(C(F)F)(F)F 1 2.465 1 4 -15.6514590639176 2854247 COC1=C(C=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)F)C4=CC=CS4)OC 1 5.307 2 2 -4.55681122243072 2854246 C1CCC2C(C1)C(=O)N(C2=O)CCCCCC(=O)O 1 1.842 1 4 0 -11.2980184216936 2854245 CC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)C 1 2.663 1 1 -3.56098803926677 2854238 C1CCC2=C(CC1)SC(=C2C(=O)N3CCOCC3)NC(=O)C4=CN=CC=C4 1 2.191 3 3 -20.0084700938826 2854210 CCOC(=O)C(CCC(C(=O)OCC)(C(=O)OCC)O)(C(=O)OCC)O 1 0.592 0 10 0 -4.60316071950989 2854145 CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2 1 2.982 1 2 -8.60953017173892 2854143 CNC(=O)C1=C(SC2=C1CCCCC2)N 1 1.917 2 1 0 -7.77795094068524 2854134 CC1=CC=CC=C1NC(=O)C2CCC(=O)N2 1 0.887 2 2 0 -11.6765065546129 2854131 C1C2C=CC1C(C2C(=O)NCC3=CN=CC=C3)C(=O)O 1 0.349 2 3 0 -9.94080521349163 2854121 CC(C1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2 1 3.747 1 1 -7.83122501710939 2854095 CCN1C(=O)C2=CC=CC=C2C(=N1)C(C)C(=O)O 1 1.661 2 3 0 -8.31778092398065 2854092 CC1=NN(C(=O)C2=CC=CC=C12)C(C)C(=O)O 1 1.005 2 3 0 -7.20478464694083 2854047 CC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)Br 1 4.316 1 1 -4.29669135611237 2854033 C1C(N(N=C1C2=CC=CS2)C3=CC=C(C=C3)F)C4=CC=CC=C4 1 5.34 2 0 -0.521766783370672 2854017 C1=CC(=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)NCCOCCO)[N+](=O)[O-])[N+](=O)[O-] 1 1.859 3 8 0 -13.934103701502 2853992 CC1(N2C(CS1)C(=O)N3C(C2=O)CSC3(C)C)C 1 -0.135 2 2 0 -1.44997048933294 2853983 CN(C)C(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CO3 1 3.049 2 3 -13.4947621092636 2853923 C1CC(OC1)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.214 1 2 -5.95183812942475 2853912 C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)NCCC3=CC=CC=C3 1 2.713 2 2 -8.01617513282391 2853908 CCN1C2C(C(=NC2NC3=CC=CC=C31)OC)C4=CC=CC=C4 1 3.725 3 1 -3.67890640360625 2853903 C1CCN(CC1)C2=NC3=CC=CC=C3C4=CC=CC=C42.Cl Cl- 1 3.923 2 0 2.6461618100121 2853885 CCOC(=O)C(=NNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])C(=O)C 1 1.505 3 7 0 -6.32280448555854 2853874 C1=CC=C(C=C1)C=NNC(=O)C(C2=CC=CC=C2)O 1 2.066 2 2 -8.39498434460095 2853860 C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)Cl 1 3.12 2 3 -7.75063562166678 2853853 C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC(=CC=C3)OC(=O)C4=CC=CO4)N5CCOCC5 1 1.777 7 5 0 -8.83506796911917 2853823 COC1=C(C=C2C=NC3(CCCCC3)CC2=C1)OC.Cl Cl- 1 3.606 1 2 -2.85408906330998 2853814 C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=CS4.Br Br- 1 3.952 3 1 -4.84772693977223 2853792 CC1=CC=CC=C1NC(=O)C2=C(NC(=S)NC2C3=CC=CS3)C 1 3.615 3 1 -29.3150332014168 2853781 C1CS(=O)(=O)CC1NC(=S)SCC2=CC=CC=C2Br 1 3.508 1 2 -8.21800158265975 2853779 CC(C)CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3S(=O)(=O)N 1 3.036 3 5 0 -9.38609456262279 2853777 CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=CC=C2)[N+](=O)[O-] 1 3.497 3 4 0 -4.32337547672596 2853775 CCOC1=CC=C(C=C1)NC(=O)C2CC3CCC2C3 1 3.085 1 2 -0.509684320778176 2853737 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CN=CC=C3 1 1.769 3 3 0 -5.75855485600824 2853719 CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 3.66 1 2 -3.24884161703076 2853715 COC1=CC=CC(=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.523 4 5 0 5.01784414510432 2853709 CCN1C(=O)C(SC1=S)C(=O)C2=CC=CC=C2 1 3.103 1 2 -2.46336062076505 2853696 CC1=CC=C(C=C1)C(C2=CC=CC=C2C)NC(=O)N 1 3.331 2 1 -5.74373429181118 2853693 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)CCC5=CC=CC=C5 1 2.653 3 4 0 1.93917081531943 2853692 C1CN(CCN1CC2=CC=CC=C2)C3CC(=O)N(C3=O)CCC4=CC=CC=C4 1 2.885 3 2 2.65170179459651 2853690 C1CN(CCC1CNC(=O)C2=C(C(=C(C(=C2F)F)F)F)F)C(=O)C3=C(C(=C(C(=C3F)F)F)F)F 1 4.705 2 2 -10.9062972081708 2853675 CC1CN(CC(O1)C)S(=O)(=O)CC2=CC=CC=C2 1 1.396 1 3 0 -15.025630397181 2853673 CC1=C(C(CC(=O)N1)C2=C(C(=CC=C2)OC)OC)C(=O)OC 1 1.279 1 5 0 -20.8726141033207 2853672 COC(=O)C1=CC=CC=C1NC(C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CO3 1 3.42 2 5 0 -15.25776214576 2853651 C1=CC=C(C=C1)CCC=NNC(=O)COC2=CC=C(C=C2)Cl 1 3.566 2 2 -3.48602420513108 2853650 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2CCCO2 1 2.394 1 5 -18.0451610574343 2853640 C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC4=C(C=C3Br)OCO4)N5CCOCC5 1 1.466 7 4 0 -4.43097108200077 2853629 C1=CC=C2C(=C1)C(=O)N(C2=O)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)NC5=CC=CC=C5O 1 2.062 3 6 0 -6.97577689201144 2853608 C1CC(OC1)CNS(=O)(=O)CC2=CC=CC=C2 1 1.106 1 3 0 -13.5825652226916 2853600 C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)NN=CC4=CC=C(C=C4)Br 1 3.952 6 0 0.263025705539398 2853568 CC1=CC=C(C=C1)C(=NNC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3)C 1 3.679 3 4 0 -15.2499716541862 2853539 C1COCCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.253 4 5 0 -6.32426918051501 2853529 CC1CCCC(N1CC(COC2=CC=C(C=C2)Cl)O)C 1 3.778 1 2 -4.48394536246116 2853519 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.395 4 5 0 4.02015467645211 2853516 CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NCC2CCCO2 1 3.283 2 2 -18.8031545690156 2853497 CN(C)C1=NC(=NC(=C1)NN=CC2=CC=CC=C2)N(C)C 1 2.353 6 0 -6.3283884003394e-002 2853481 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCCO2 1 0.22 2 4 0 -13.4874973062523 2853475 C1=CC=C2C(=C1)NC(=N2)NN=CC3=CC=NC=C3 1 1.718 5 0 0 4.10939701266934 2853472 CC1CCCC(N1CC(COC2=CC(=C(C=C2)C(C)C)C)O)C 1 4.794 1 2 -7.10444634496017 2853470 C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)N 1 2.68 2 1 -3.49456753705489 2853458 CC1=C(C=C2C(=C1)C(=NC(=N2)N=C(N)N)C)C 1 1.482 5 0 0 0.821748646543919 2853454 CCCN1C2=CC=CC=C2N(C1=N)CC(=O)C(C)(C)C.Br Br- 1 3.16 3 1 -5.10281319130003 2853442 CN1CCN(CC1)S(=O)C23CC4CC(C2)CC(C4)C3 1 1.872 2 1 0 8.07325363166259 2853413 C1COCCN1CC(C23CC4CC(C2)CC(C4)C3)O 1 1.971 1 2 0 -2.94323124272344 2853396 C1C(OC2=CC=CC=C2O1)CNC(=O)CC3=CC=CC=C3 1 2.536 1 3 -10.0816059117038 2853385 CC1(CC1(Br)Br)C(=O)NC2=C(C(=C(C(=C2F)F)F)F)F 1 3.812 1 1 -3.25614136607341 2853384 CC(=O)NC(CCCN1C(=O)C2=CC=CC=C2C1=O)(C3=NNN=N3)C(=O)OC 1 3.7e-002 6 5 0 -12.4524599549654 2853382 C1CN(CCN1C2CC(=O)N(C2=O)CCC3=CC=CC=C3)C4=CC=CC=C4 1 2.973 3 2 2.96258088119495 2853380 CC1CCC(C(C1)OC(=O)C[N+]2=CC=CC(=C2)C(=O)N)C(C)C.[Cl-] Cl- 1 3.281 2 3 -2.7229812157477 2853369 C1COCCN1C(=O)CCSC2=NC=CN2CC3=CC=CC=C3 1 1.791 3 2 0 -14.2925573883937 2853355 CC1=CC(=CC(=C1)N(CC(=O)NN=CC2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3)C 1 3.05 4 3 0 -13.9760261352841 2853352 C1OC2=C(O1)C=C(C=C2)C=NN(C3=CC=CC=C3)C4=CC=CC=C4 1 4.999 2 2 -2.31617817828008 2853272 CC1=C(C(CC(=O)N1)C2=CC=CC=C2OC)C(=O)OC 1 1.296 1 4 0 -19.2373275705397 2853311 CC(C)(C)C1=CC(=NO1)C2=CC=CC=C2 1 3.922 1 1 2.30774940776377 2853308 CC1=CC(=CC(=C1OCCCCN2C=CN=C2)C)Cl 1 3.834 2 1 6.26604724348695 2853303 CC(CCC1=CC=CC=C1)N(CC=C)CC(C2=CC(=CC=C2)[N+](=O)[O-])O.Cl Cl- 1 4.642 2 3 -6.80140666311182 2853285 C1=CC=C(C=C1)NC(=O)C(=O)NCCCCCCOC2=NS(=O)(=O)C3=CC=CC=C32 1 2.945 3 5 0 -12.7905205115871 2853283 CC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-] 1 2.117 3 3 -2.40735394511229 2853247 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)NN=CC3=CC=CC=C3F)NCC4=CC=CO4 1 3.693 7 2 0 -1.89404457057257 2853246 CC1=CC(=CC=C1)CC2C(=O)N(C(=NN=CC3=CC=CO3)S2)C4=CC=CC=C4 1 5.655 3 2 -5.04552700553447 2853236 C1COCCN1C2CC(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl 1 2.032 2 3 3.44682088404676 2853222 CC1=CC(=CC(=C1OCCCCCN2C=CN=C2)C)Cl 1 4.29 2 1 6.20879712595058 2853204 CC1=CC(=C[N+](=C1)CC(=O)C2=CC3=CC=CC=C3OC2=O)C.[Br-] Br- 1 3.683 1 3 -7.62571561169873 2853180 CC1(CC2=CC=CC=C2C3=C(C(C(=O)N31)(CC=C)O)C(=O)N4CCOCC4)C 1 1.165 2 4 0 -12.7749335187651 2853154 CC1=NC(=C(N1CC2=CC=CC=C2)N3CCN(CC3)C4=C(N=C(N4CC5=CC=CC=C5)C)[N+](=O)[O-])[N+](=O)[O-] 1 4.612 8 4 0 -4.33893798255441 2853152 C1=CC=C(C=C1)CCC=NNC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 4.23 2 2 -3.89967680977124 2853146 COC1=CC=C(C=C1)C=NNC(=S)NC2CCS(=O)(=O)C2 1 1.722 3 3 0 -13.7871943069789 2853140 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSCCC(=O)O 1 2.176 1 4 -7.51286271689054 2853136 C1OC2=C(O1)C=C(C=C2)C=NNC3=NC4=CC=CC=C4C=C3 1 3.305 3 2 3.38036411758517 2853115 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Cl)NCCO.Br Br- 1 2.81 3 2 -2.42356545408232 2853079 C1CC2CC1CC2C(=O)NC3=CC=C(C=C3)F 1 2.958 1 1 1.38138206553924 2853053 C1CCN(C1)C(=O)CC23CC4CC(C2)CC(C4)(C3)CC(=O)N5CCCC5 1 2.26 2 2 -5.75682229230225 2853049 CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CO2 1 2.784 2 3 -3.33407073465046 2853045 COC1=C(C=C(C=C1)C(=O)NCC2CCCO2)OC 1 1.364 1 4 0 -16.4392940579735 2853037 C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4 1 4.811 2 2 -5.79096681744828 2853036 CC1CC(CN(C1)C(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C)C 1 4.01 2 2 -12.1216640369648 2853023 C1CCC(CC1)NS(=O)C23CC4CC(C2)CC(C4)C3 1 3.567 1 1 2.63950389137815 2853015 C1=CC=C(C=C1)N(CC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC=C3 1 4.312 1 2 -4.53489548252235 2850642 CC1(N=C(N=C(N1C2=CC=CC(=C2)C(=O)O)N)N)C.Cl Cl- 1 -5.7e-002 5 2 0 6.412080610954 2850639 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])NCCO.Br Br- 1 2.04 4 4 0 -6.33996193202637 2850604 CC1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 3.39 2 4 -3.26197393944984 2850596 C1=CC(=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)NCCO)[N+](=O)[O-])[N+](=O)[O-] 1 1.99 3 7 0 -11.193393448465 2850579 CC1CN(CC(O1)C)CC(COC2=C(C=CC(=C2)C)C(C)C)O.Cl Cl- 1 3.564 1 3 -6.35398607992214 2850567 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=CN3C4=CC(=CC=C4)[N+](=O)[O-])N5CCCCC5 1 4.471 9 2 0 -2.08382984990081 2850562 CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)C.Br Br- 1 4.898 2 0 3.91222969384893 2850555 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCN4C=CN=C4 1 1.574 3 2 0 2.80078557210448 2850544 COC1=CC=C(C=C1)C=NNC2=NC(=NC(=N2)N3CCCC3)N4CCCC4 1 2.48 7 1 0 -1.98514755185738 2850540 CC1=C(C(NC(=O)N1)C2=CC=CC=C2OC)C(=O)OCC3=CC=CC=C3 1 2.632 2 4 -30.5715142349784 2850531 CN(C(CC(=O)N)C(=O)O)C(=O)OCC1=CC=CC=C1 1 0.525 2 5 0 -7.12785000271263 2850522 CC1=NN(C(=[N+]1N)C)CC(=O)C2=C(C=C(C=C2)Cl)Cl.[Br-] Br- 1 2.199 4 1 -0.44804483314551 2850517 C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=CO4 1 2.158 2 3 -5.79558733264381 2850505 CC1=C(C(CC(=O)N1)C2=CC=CC=C2F)C(=O)OC 1 1.518 1 3 0 -18.3751773404842 2850491 COC1=C(C=C(C=C1)C=NCC2COC3=CC=CC=C3O2)OC.Cl Cl- 1 3.28 1 4 -4.92573365930328 2850487 C1CS(=O)(=O)CC1NC(=O)COC2=CC=CC=C2 1 0.381 1 4 0 -13.9596148424489 2850485 CC1=C(C2(CCCC(C2CC1=O)(C)C)C)CC(=O)OC 1 3.296 0 3 -3.44680305657223 2850465 CCCCCCCN1C2=CC=CC=C2N3C1=NCC3.Cl Cl- 1 3.881 3 0 -6.17919318699668 2850449 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)NN=CC3=CC=CC=C3)NCC4=CC=CO4 1 3.488 7 2 0 -3.3410213857605 2850442 COC1=C(C=CC(=C1)C=NNC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4)OC(=O)C5=CC=CO5 1 4.219 7 4 0 -9.32433363788128 2850439 CC(C(=O)C12CC3CC(C1)CC(C3)C2)NCCOC.Cl Cl- 1 2.275 1 2 -1.27796786742567 2850424 C1CC2CC1CC2C=NNC(=O)C3CC3C4=CC=CC=C4 1 3.091 2 1 -2.27884159792121 2850421 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C(=O)CN4CCCC4 1 1.032 4 4 0 -2.43331247712665 2850415 CCOC1=CC(=C(C=C1)NC(=O)C2=CC=CS2)[N+](=O)[O-] 1 2.794 2 4 -8.21474188983001 2850402 C1=CC=C(C=C1)C(C(=O)NN=CC2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-])O 1 3.127 4 4 0 -8.15420699684428 2850397 CC1=CC(=C(C(=C1C)N=NC2=NC3=CC=CC=C3N2C)C)C 1 6.407 4 0 6.73093327321853 2850389 COC1=CC=CC=C1NC(C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CO3 1 3.548 2 4 -12.1035112944681 2850361 COC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2NCCCO)OC.Br Br- 1 2.175 3 4 0 -8.75460438541282 2850340 C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)NN=CC4=CC(=CC=C4)O 1 1.469 6 3 0 2.95025731843342 2850338 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=CC=N3 1 1.776 2 3 0 -2.04815886289875 2850328 CC(C)CC1=CC=C(C=C1)C(C)C(=O)N2CCOCC2 1 3.079 1 2 -4.30633457273794 2850303 CC(=NNC(=O)CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.192 3 4 0 -16.3386506837438 2850301 CN(C)C1=NC(=NC(=C1)NN=CC2=CC=C(C=C2)OC)N(C)C 1 2.337 6 1 0 -0.30430627606318 2850298 CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=CC=C2)OC 1 3.586 2 3 -2.62423598843389 2850291 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=CN3C4=CC=C(C=C4)[N+](=O)[O-])N5CCCCC5 1 4.471 9 2 0 -2.46490362464618 2850258 CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)N 1 2.845 2 1 -7.27037436685283 2850256 CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)N 1 3.086 1 2 -8.99611462044194 2850253 CC1CN(CC(O1)C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.475 3 6 0 -12.8360315600718 2850244 CCOC1=CC=C(C=C1)C2=C(C(C3=CC=CC=C3O2)C4=CC=CC=C4)C=C(C#N)C#N 1 5.469 2 2 -3.37967779103055 2850239 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=NC=CN2C)O 1 3.789 2 2 -3.93459303229635 2850229 C1C2CC3CC1CC(C2)(C3)CC(=O)NCC4=CC=C(C=C4)F 1 3.753 1 1 -8.04316170716611 2850208 C1CN(CCN1CC(COC2=CC=C(C=C2)Cl)O)C3=CC=CC=N3 1 3.123 3 2 1.57532187724517 2850182 CC(CCC1=CC=CC=C1)NCC(COC2=CC=CC=C2)O 1 3.644 1 2 -1.57305941386198 2850177 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NCC)NCC 1 3.085 3 3 -5.47526405508267 2850176 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=CC=C3OC)OC 1 1.674 3 4 0 -17.6193837545905 2850172 C1=CC=C(C=C1)CC2C(=O)N(C(=NN=CC3=CC=CO3)S2)C4=CC=CC=C4 1 5.168 3 2 -5.93452677219533 2850171 CC1=CC(=C(C=C1)C)NC2CCCCC2OC 1 3.91 1 1 -2.69183310285161 2850157 CCCCNC(=O)C1COC2=CC=CC=C2O1 1 2.139 1 3 -8.82303249974064 2850154 CC1=CC(NC(=S)N1)C2=CC=CC=C2 1 2.537 2 0 -6.54288867998296 2850152 CC(C(=O)C1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2.[N+](=O)(O)[O-] NO3 1 2.864 3 1 -1.55106462302563 2850150 CC(C)(CNC(=O)C1=CC=C(C=C1)OC)CNC(=O)C2=CC=C(C=C2)OC 1 2.776 2 4 -7.41631262514395 2850142 CC1=C(C2=C(C=C1)C(CC(=O)O2)C3=CC=CC=C3)C 1 4.179 0 2 0.250822893742674 2850126 CC(C(=O)C1=C(C=CC(=C1)Br)O)SC(=S)N(C)C 1 4.451 1 2 0.733338234430295 2850103 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC 1 1.148 2 7 0 -14.0580967506837 2850102 CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)OC 1 3.586 2 3 -2.47563694260675 2850100 C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2NCCO 1 2.145 3 2 -5.20962470919089 2850095 C1=CC=C(C=C1)CN2C=CN=C2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.955 4 4 0 -4.82005625043642 2850075 CCC(C)C(C(=O)NC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C 1 3.192 3 3 -19.2709788019781 2850074 COC1=CC=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)Br)CC(=O)O 1 3.478 1 4 -7.52019170973947 2850011 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC(=O)OCC 1 1.392 2 5 0 -10.5910711057197 2850014 CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2OC 1 3.586 2 3 -3.97879252477587 2850046 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NN=O 1 3.308 4 1 -3.56341015421045 2850045 COC1=CC=C(C=C1)N(CC(=O)NN=C2CCCC2)S(=O)(=O)C3=CC=CC=C3 1 2.481 3 4 0 -16.7786959025125 2850034 C1C(=NC2=CC=CC=C2NC1=O)C(C(C(C(F)F)(F)F)(F)F)(F)F 1 2.937 2 1 -9.96749123979177 2849974 COC1=CC2=C(C=C1)C(=O)CC(O2)(C(F)(F)F)O 1 2.117 0 4 -0.568792470316004 2849973 CN1C(=O)C2=C3C(=C(C=C2)N(C)C)C=CC=C3C1=O 1 1.933 2 2 0 -3.31883722508395 2849946 CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC3=CC=CS3 1 3.879 1 3 -20.8175961887866 2849942 CCCC1COC(O1)(CN2C=NC=N2)C3=CC=C(C=C3)C 1 2.957 3 2 1.64758153186788 2849922 C1=CC=NC(=C1)CNC(=O)C(=O)NCCCO 1 -1.102 3 3 0 -11.212030721232 2849921 COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)N 1 2.343 2 2 -7.68334057599697 2849902 CC(C1CC(=O)N(C1=O)CC2=CC=CC=C2)C3=CC=CC=C3 1 3.199 1 2 -4.41787669773557 2849881 CCOC1=CC=C(C=C1)NC(=O)C2CC=CCC2C(=O)O 1 2.149 1 4 -5.18917074789657 2849873 CC(=O)NC1=CC=CC(=C1)NC(=O)C2CC3CCC2C3 1 1.872 2 2 0 -2.34783915907505 2849864 CCCC1=NC=C(N1C)C(C2=C(C(=CC=C2)OC)OC)O 1 2.466 2 3 -4.81646922338097 2849862 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)SCC(=O)NC3=CC4=CC=CC=C4C=C3 1 2.665 2 5 0 -7.11982541138566 2849835 C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC4=C(C=C3Cl)OCO4)N5CCOCC5 1 1.382 7 4 0 -2.26974512324026 2849830 C1=CC=C2C(=C1)C=CC(=N2)NN=CC3=CC=C(C=C3)Br 1 4.285 3 0 5.42396844017549 2849824 COC1=CC=CC=C1N(CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)OC)S(=O)(=O)C3=CC=CC=C3 1 2.903 3 7 0 -22.7516982684159 2849814 CC(=C)C(C)(C#CCN1CCCC1)OC(=O)C 1 2.508 1 2 -2.35955461258888 2849790 CC1=CC=CC=C1C(C2=CC=CC=C2)NC(=O)N 1 2.845 2 1 -7.5395565999449 2849785 CC(=NOCC(=O)NN=CC1=CC=CC=C1)C2=CC=CS2 1 2.334 3 2 -8.20252639213808 2849781 C1C(OC(N1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.761 2 3 0.205604307533893 2849764 CCN(CC)CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)C.Br Br- 1 3.737 4 1 -5.25160220437221 2849750 CC1=CC(=C(C=C1)C)N=NC2=NC3=CC=CC=C3N2C 1 5.434 4 0 9.29108678614998 2849747 CC1=C(CC2C(C1)C(=O)N(C2=O)CC3=CC=CC=C3)C 1 2.911 1 2 -1.70228745643146 2849732 CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC2=CC=C(C=C2)O 1 4.52 1 2 0.19384446494012 2849727 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCOCC3 1 1.559 2 4 0 0.514784184064016 2849696 CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC(=S)N4CCOCC4)C 1 3.438 2 2 -12.3556718736822 2849681 CCCCNC(=O)CSC1=NC=CN1CC2=CC=CC=C2 1 2.978 3 1 -18.2805467813548 2849631 CCCN1C2=CC=CC=C2N=C1NCCO 1 1.762 3 1 0 -2.24341364410878 2849658 COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2NCCO.Br Br- 1 2.129 3 3 -4.65853035381328 2849650 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=N4 1 2.52 4 2 7.68802915909683 2849640 C1=CC=C2C(=C1)N(C(=N)N2N)CC(=O)C3=CC=C(C=C3)Br.Br Br- 1 2.465 4 1 -5.42598094852646 2849622 COC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2NCCO)OC.Br Br- 1 2.113 3 4 0 -9.23212967916551 2849620 CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)Br.Br Br- 1 5.16 2 0 4.27756863933431 2849603 CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC2=CC=CC=C2O 1 4.52 1 2 2.23789463324255 2849598 CC(C)(C)C(=O)CN1C2=CC=CC=C2N(C1=N)C.Br Br- 1 2.287 3 1 -5.65109251730459 2849595 CCOC1=CC(=C(C=C1)NC(=O)C2=CC=C(O2)Br)[N+](=O)[O-] 1 2.804 2 5 0 -7.99414985174679 2849591 CCC(C1=CC=CC=C1)C(=O)NCC2=CC=NC=C2 1 2.424 2 1 -9.89183448080945 2849580 COC1=CC=C(C=C1)N(CC(=O)NC2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.11 2 6 0 -18.5885331825596 2849565 C1CC1C(=O)NC2=NC=C(C=C2)[N+](=O)[O-] 1 0.991 3 3 0 -6.66435732052166 2849564 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC=C2 1 1.389 1 3 0 -15.9409392053463 2849558 CC1=CC(=C(C=C1[N+](=O)[O-])F)N2CCCCC2 1 3.495 2 2 -4.60923868373714 2849526 CCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 3.304 3 6 0 -8.23117294963238 2849523 CN1C=CN=C1C(C2=CC=CC=C2)(C3=NC=CN3C)O 1 1.277 4 1 0 0.543045572324252 2849510 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O 1 3.083 3 5 0 -3.67485784191108 2849492 CC(C#CCN1CCCC1)(C2=CC=CC=C2)O 1 2.649 1 1 2.0257190958348 2849488 CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)C(=O)N1CCN(C)C 1 1.895 4 2 0 -11.011571584565 2849468 C1COCCN1CC2=CC=CC=C2.Cl Cl- 1 1.591 1 1 0 0.37819513934355 2849450 C1=CC(=CC=C1N=NNC2=CC(=CC(=C2)C(=O)O)[N+](=O)[O-])Br 1 3.857 4 4 0 4.49620746832716 2849449 C1=CC(=CC(=C1)S(=O)(=O)O)N=NNC2=CC(=CC(=C2)C(=O)O)[N+](=O)[O-] 1 2.441 4 7 0 -2.58433898068656 2849440 C1=CC(=C(C=C1C2C(O2)(C(=O)N)C(=O)N)Cl)Cl 1 0.829 2 3 0 0.632089179665406 2849426 C1CC(=NC1)NCCCC(=O)O 1 -6.e-002 2 2 0 -13.3624607115476 2849389 C1COCCN1CC(C2=CC=CC=C2)C(C3=CC=CC=C3)O.Cl Cl- 1 2.623 1 2 -4.85377998082473 2849387 CCOC1=CC=C(C=C1)C(=O)CCN2CCOCC2.Cl Cl- 1 1.844 1 3 0 -2.11080614724271 2849383 COC1=CC=C(C=C1)C(=O)C(CN2CCOCC2)C3=CC=CC=C3.Cl Cl- 1 2.99 1 3 -6.4535083002823 2849378 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CN=CC=C2 1 1.554 3 4 0 -6.98043603751871 2849354 CC1=CC(=O)N=C(N1)SC(C2=CC=CC=C2)C(=O)O 1 2.168 2 3 -16.1798032394547 2849332 CC1=CCC(CC1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC 1 5.004 4 1 -5.52526665497053 2849331 CCOC1=CC=C(C=C1)C=NNC2=CC=CC=N2 1 3.169 3 1 2.10482506984013 2849321 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=CC=[N+](C=C2)CC3=CC=CC=C3.[Cl-] Cl- 1 3.838 3 3 -4.55206028712896 2849314 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)O)C 1 1.171 2 4 0 -28.8843060475572 2849295 CC1=C(C(=CC=C1)C)OCCSC2=NC3=CC=CC=C3N2CC(=O)O 1 4.72 2 3 -8.85966362160228 2849273 C1=CC=C(C=C1)NC2=NC(=NC(=N2)NN=CC(CO)O)NC3=CC=CC=C3 1 1.468 7 2 0 -4.05632122130986 2849272 COC1=C(C2=C(C=C1)C3CC(=NN3C2=O)C4=CC=C(C=C4)Br)OC 1 3.301 2 3 -6.28342664636557 2849269 CC1=NC(=NC=C1)NN=CC2=CC=CO2 1 1.231 4 1 0 -5.67432527759266 2849268 CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C(C(=O)O)C(=O)O 1 1.874 4 8 0 -7.83189958524738 2849267 CC1CCCCC1NC=C2C(=O)CC(CC2=O)(C)C 1 2.346 1 2 -11.0458693562663 2849237 CCOC(=O)CCCNC(=O)C1=CC(=CN=C1)O.Cl Cl- 1 0.27 2 4 0 -16.2010991197519 2849233 C1CC(N(C1)C(=O)C2=CC(=CN=C2)Br)C(=O)O 1 0.919 2 3 0 -7.26111323575755 2849231 CC1=CC(=CC=C1)NC2=NC=C(C=C2)[N+](=O)[O-] 1 2.511 3 2 1.39630870164377 2849228 CC1=CC2=C(C=C1)OC(CC2=O)(C(F)(F)F)O 1 2.62 0 3 0.558972803998222 2849227 C1=CC=C2C(=C1)N=C(S2)NN=CC(CO)O 1 0.589 3 2 0 2.63778704534455 2849223 COC1=CC=CC=C1NC2=NC=C(C=C2)[N+](=O)[O-] 1 2.009 3 3 -3.39255865074744 2849222 CC1=NC(=NC=C1)NN=CC2=CC=CC=C2 1 1.836 4 0 0 -5.50143441931058 2849204 CC1=CC(=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O)C(C)C 1 5.429 2 3 -5.72661000574987 2849200 C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)C2=CC=[N+](C=C2)CCO.[Cl-] Cl- 1 1.643 4 4 0 -6.501483387241 2849198 CC1=CC=C(C=C1)C(=O)ON=C(C2=NON=C2N)N 1 0.898 5 3 0 -5.35414309824198 2849177 C1=CC=C(C=C1)NC(=O)CON=C(C2=NON=C2N)N 1 -0.4 6 3 0 -10.1726021515654 2849170 CC(COC)NC=C1C(=O)CC(CC1=O)(C)C 1 0.415 1 3 0 -12.0033098592395 2849165 CC1C(C(C(C(O1)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)O)O)O 1 2.74 3 4 0 -5.36287575223172 2849154 C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC=C(O3)C4=CC=CC=C4Cl)N5CCOCC5 1 2.819 7 3 0 1.48690909089755 2849148 COC(=O)CCCCC1C2(C(CS1)NC(=O)N2)O 1 0.505 2 4 0 -16.0977587102205 2849147 C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C(F)F 1 2.974 0 2 2.00697697613532 2849140 C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NN=CC3=C(C=C(C=C3)Cl)Cl.[Br-] Br- 1 4.872 3 2 -3.17374023551509 2849137 CC(C)CNC(=O)CC(C1=CC=CC=C1)C2=C(C=CC3=CC=CC=C32)O 1 4.671 1 2 -9.79370767023974 2849133 C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)OCC4=CC=CC=C4.[Cl-] Cl- 1 5.438 3 2 -5.30774916024117 2849132 CCOC1=CC=CC(=C1)NC2=NC=C(C=C2)[N+](=O)[O-] 1 2.358 3 3 -1.64670033581421 2849131 CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCN2C(=O)CCC2=O 1 0.877 3 7 0 -29.6811407189005 2849125 COC1=C(C2=C(C=C1)C3CC(=NC4=CC=CC=C4N3C2=O)C5=CC=C(C=C5)[N+](=O)[O-])OC 1 3.975 3 5 0 -8.47693085309857 2849115 CC1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-] 1 1.824 3 2 0 -2.43640394183971 2849108 CC(=O)OC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.949 2 2 -5.75969518123147 2849093 CC1=CC=CC=C1NC2=NC=C(C=C2)[N+](=O)[O-] 1 2.511 3 2 -1.99081507198447 2849092 COC1=CC=C(C=C1)CCNC2=NC=C(C=C2)[N+](=O)[O-] 1 2.337 3 3 -3.97776452763297 2849091 CC1(CC2=CC(=C(C=C2C(=S)N1)OC)OC)C 1 2.756 1 2 -6.95791658571085 2849072 COC1=CC2=C(C=C1)C(=O)CC(O2)(C(F)F)O 1 1.623 0 4 0 -2.8942191212831 2849057 CCCOC1C2=C(C(=C(C=C2)OC)OC)C(=O)O1 1 2.347 0 5 -7.31588058750391 2849054 COC1=CC2=C(C=C1)C(=O)CC(O2)(C(C(F)F)(F)F)O 1 2.114 0 4 -3.44625789489538 2849052 C1CN(CC2=CC=CC=C21)C3=NC=C(C=C3)[N+](=O)[O-] 1 2.313 3 2 -2.37135145260815 2849032 CC1=CC=CC2=C1N=C(N=C2C)N=C(N)N 1 0.996 5 0 0 0.739735921986517 2849025 CC1=C(C=C(C=C1)[N+](=O)[O-])N/C=C/2\CCCCC2=O 1 2.947 2 3 -6.91226796923722 2849024 CC1=C(C=C(C=C1)NC2C(C(C(O2)C(CO)O)O)O)[N+](=O)[O-] 1 -0.137 2 7 0 -11.0609064372771 2849003 CC1=CC=C(O1)C(=NNC2=NC(=CC(=N2)C)C)C 1 1.64 4 1 0 -0.974884192293613 2849001 C1C(C(CS1)OC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.031 1 3 -9.52741131154797 2848994 COC(=O)CCCCC1C(C(CS1)NC(=O)C2=CC=CC=C2)Cl 1 3.41 1 3 -17.2695473190029 2848979 C1CN(CCN1C2=CC=CC=C2)C3=NC=C(C=C3)[N+](=O)[O-] 1 2.284 4 2 2.12163213404434 2848973 CN(CCC1=CC=CC=C1)C2=NC=C(C=C2)[N+](=O)[O-] 1 2.559 3 2 -1.09997123245521 2848970 CC1=C(C=C(C=C1)NC2C(C(C(O2)CO)O)O)[N+](=O)[O-] 1 0.374 2 6 0 -16.1639805676477 2848959 CC1(CC2=CC(=C(C=C2C(=N1)SC)OC)OC)C 1 3.128 1 2 -4.17200981516153 2848952 CCOC1=CC=CC=C1OCC(CNC)O 1 1.238 1 3 0 -6.89157836542943 2848948 CC(=O)NC1=CC(=C(C=C1)NC(=O)C)NC2C(C(C(CO2)O)O)O 1 -1.766 3 6 0 -13.3273053741062 2848917 CC1=C(C=C(C=C1)[N+](=O)[O-])NC2CC(C(O2)CO)O 1 1.14 2 5 0 -6.47306557360648 2848909 CC(=O)N(C1C(=O)N(C(=O)S1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.221 2 3 -4.22086520450017 2848906 COC1=CC=C(C=C1)NC2=NC=C(C=C2)[N+](=O)[O-] 1 2.009 3 3 -1.2970443123621 2848901 COC1=C(C=C(C=C1)Br)C=NNC2=CC=CC=N2 1 3.569 3 1 5.71139362669183 2848899 CC1(CC(=O)C(=CNCC2=CC3=C(C=C2)OCO3)C(=O)C1)C 1 1.52 1 4 0 -12.1853468181921 2848890 COC1=C(C2=C(C=C1)C3CC(=NN3C2=O)C4=CC=C(C=C4)Cl)OC 1 3.217 2 3 -4.82676690126413 2848884 C1CC2=C(C(C(=C(O2)N)C#N)C3CCC=CC3)C(=O)C1 1 2.08 2 2 -13.6118515589722 2848878 COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-] 1 2.268 4 3 0 0.188971205568387 2848864 C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)Br.[Br-] Br- 1 4.292 3 2 -6.79446373990041 2848856 CN(C1=CC=CC=C1)N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.754 3 3 1.06777891491419 2848837 C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)Br.[Cl-] Cl- 1 4.619 3 1 -3.67703843002023 2848830 C1=CC=C2C(=C1)N=C(N2CC(=O)O)SCCOC3=CC=C(C=C3)Cl 1 4.413 2 3 -5.8352313963907 2848829 CC1=CC(=CC=C1)NC2C(=O)N(C(=O)S2)C3=CC=CC=C3 1 4.189 2 2 -8.23543740098018 2848814 CN(CCC1=CC=CC=N1)C2=NC=C(C=C2)[N+](=O)[O-] 1 1.551 4 2 0 -3.1209746012535 2848813 CC1=CC(=NC(=N1)NN=C(C)C2=CC=C(C=C2)Br)C 1 2.847 4 0 -3.96579801861668 2848788 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=CC=C3.[Br-] Br- 1 3.511 3 4 0 -7.66948559700915 2848785 CC(=O)C1=CC=C(C=C1)NC(=O)C2CCC(C2(C)C)(C)C(=O)O 1 2.42 1 4 -6.07711710289314 2848779 CC(C)CC(C(=O)O)N1C(=O)C2C3C=CC(C2C1=O)C4C3C(=O)N(C4=O)C(CC(C)C)C(=O)O 1 1.103 2 8 0 -12.5840615003879 2848765 C1CC(CC=C1)C2C(=C(SC(=C2C#N)N)N)C#N 1 1.691 4 0 0 -3.40389473008686 2848739 C1=COC(=C1)C(=O)NC2=NN=C(S2)CCOCCOCCC3=NN=C(S3)NC(=O)C4=CC=CO4 1 1.277 6 6 0 -11.3908040262913 2848732 C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=[N+](C=C3)CC(=O)C4=CC=CC=C4.[Br-] Br- 1 5.11 3 3 -8.29000191662481 2848730 C1=CC(=CC(=C1)F)NC2=NC=C(C=C2)[N+](=O)[O-] 1 2.231 3 2 1.29966881394508 2848721 C1OC2=C(O1)C=C(C(=C2)C=NNC3=NC4=CC=CC=C4S3)Br 1 3.953 3 2 3.28992508113184 2848708 C1C(C(=NO)CS1)NC(=O)C2=CC=CC=C2 1 1.122 2 2 0 -4.50060926137378 2848707 CC1=C(C=C(C=C1)[N+](=O)[O-])NC2C(C(C(O2)CO)O)O 1 0.374 2 6 0 -14.5999918720096 2848704 CC1(CC2=CC(=C(C=C2C(N1)C3=CC=CC=C3)OC)OC)C.Cl Cl- 1 3.604 1 2 -10.8346306613858 2848698 C1COCCN1CCCNC2=NC=C(C=C2)[N+](=O)[O-] 1 0.338 4 3 0 -6.4164108368584 2848654 CC1=CC(=NC(=N1)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C 1 1.781 5 4 0 -7.94036073089961 2848643 CCOC1=CC(=C(C=C1)NC2C(C(C(CO2)O)O)O)[N+](=O)[O-] 1 0.22 2 7 0 -8.77585876045922 2848630 CC1=NC(=NC2=CC=CC=C12)NC(=NC(=O)C3=CC=CC=C3)N 1 2.811 5 1 -5.79629693509618 2848609 CC1=C[N+](=CC=C1)C(C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3.[Br-] Br- 1 5.179 1 1 2.14817048982586 2848602 CC1=C(C=C(C=C1)C(=O)C[N+]2=CC=CC=C2C)[N+](=O)[O-].[Br-] Br- 1 3.216 2 3 -6.93444349222236 2848601 C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SCCO 1 2.806 2 3 -2.3073453919532 2848586 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)NC(C=C3C)(C)C 1 4.51 1 3 -12.1550210770514 2848583 CC1=CC(=CC=C1)NC(C)CCC2=CC=C(C=C2)OC 1 4.846 1 1 -0.782257525575949 2848568 CCOC(=O)C1=C(N2C3=CC=CC=C3C(=O)C2=C1)N=CN(C)C 1 2.408 3 3 -4.61023533785655 2848528 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NN3C(=O)C4=CC=CC=C4C3=O 1 0.58 3 5 0 -7.1857894793579 2848521 C1=CC=C(C=C1)N=C2C(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)Br 1 5.405 1 1 -1.51675054864678 2848518 CC1CN(CC(N1)C)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=C(C=C3)Cl 1 4.168 4 3 0 0.157130049516984 2848485 CN1C=CC=CC1=NC2=CC=CC=[N+]2C.[I-] I- 1 1.448 3 0 0 -1.79743194733444 2848477 COC1=C(N=C(C(=C1)NC2=CC=CC=C2Cl)[N+](=O)[O-])[N+](=O)[O-] 1 3.744 4 5 0 -0.419077848092377 2848468 CC1CCCC(C1)OC(=O)C2=C(NC(=O)NC2C3=CC(=C(C=C3)O)OC)C 1 2.916 2 5 0 -31.1736694795326 2848449 CC1=CC(=C[N+](=C1)C(C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C.[Br-] Br- 1 5.665 1 1 1.64616109519073 2848445 C1=CC=C(C=C1)C2OC(=CC(=O)O2)C3=CC=CC=C3 1 3.442 0 3 2.2451753472131 2848444 CC(=NNC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.855 6 2 0 -3.44394540320004 2848433 CC(CC1=CC=C(C=C1)OC)NC2=CC(=CC=C2)SC 1 4.446 1 1 2.5437035143692 2848402 CC1C(NC(CC1=NO)C2=CC=CC=C2)C3=CC=CC=C3 1 3.302 2 1 3.18638811044844 2848385 CC1CCCC(C1)OC(=O)C2=C(NC(=O)NC2C3=CC(=C(C(=C3)Br)O)OC)C 1 3.665 2 5 0 -30.0527419530183 2848343 CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5 1 4.294 5 3 0 -0.54836002699689 2848319 CCN(CC)CCCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O 1 4.118 1 3 -3.82158296596739 2848315 CC1=C[N+](=CC=C1)C(C)C(=O)C2=CC=C(C=C2)Cl.[Br-] Br- 1 4.325 1 1 0.904667004939769 2848308 COC1=C(C=C(C=C1)CC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)CC3=CC(=C(C=C3)OC)OC)OC 1 3.033 2 8 0 -12.412681027084 2848284 CC(CC1=CC=C(C=C1)OC)NC2=CC(=CC=C2)F 1 4.109 1 1 2.23222933076491 2848255 CCC(C)N1CCCC1C(=O)NC2=C(C=C(C=C2C)C)C.Cl Cl- 1 4.261 2 1 -6.91177593628193 2848245 CCC1=[N+](C2=CC=CC3=C2C(=CC=C3)N1C)C.[I-] I- 1 2.84 2 0 2.87749287950098 2848238 CC(CCC1=CC=C(C=C1)OC)NC2=CC(=CC=C2)F 1 4.566 1 1 -0.878897413274633 2848226 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.39 6 5 0 -13.671334988358 2848220 C1=CC(=CC(=C1)Cl)C(=O)NCCCN2C=CN=C2 1 1.506 3 1 0 -3.21428249573423 2848217 C1CCC(CC1)NCC(CN2CCN(CC2)CC(CNC3CCCCC3)O)O 1 2.178 4 2 -2.41764910336449 2848212 CC(CN1CCOCC1)C(=O)C2=CC=CC=C2.Cl Cl- 1 1.974 1 2 0 -6.666701080108 2848187 CCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)OC)OC)C(=O)CCC2)C 1 2.425 1 5 -35.7786636883725 2848161 CC1CCC(CC1)OC(=O)C2=C(NC(=O)NC2C3=CC(=C(C=C3)O)[N+](=O)[O-])C 1 2.827 3 6 0 -33.0892187362992 2848160 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)OC 1 3.247 1 3 6.88613842274124 2848158 CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)N(C)C)C(=O)CCC2)C 1 2.62 2 3 -36.7598352775875 2848137 CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C4=CC=CC=C42)CN(C)C.Cl Cl- 1 4.316 2 1 -1.31488760189623 2848130 CC1CC2(C3C(C1(COC3C4=CC=CC=C4O2)CO)C)C 1 2.304 0 3 -2.50118176679627 2848107 C1C2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)N1 1 1.965 3 1 0 -18.2006723428715 2848105 CCCOC1=CC=C(C=C1)C(=O)NCCC(=O)NCCCC(=O)OCC 1 1.827 2 5 0 -25.2897649489707 2848095 CC1=C(SC(=N1)NN=C2CC3CCC2(C3(C)C)C)C(=O)C.Br Br- 1 2.609 3 1 -3.35177433226923 2848089 C1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C(=N[N+](=O)[O-])N 1 3.177 5 3 0 -4.99783223977664 2848086 C1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)Cl)C#N.[Br-] Br- 1 3.233 2 1 -6.11521801915703e-002 2848081 CC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)[N+]3=CC=CC(=C3)NC(=O)C4=CC=CC=C4.[Br-] Br- 1 5.477 2 2 -0.670903666804841 2848041 CC1=NC2=C(C=CC=C2NS(=O)(=O)C3=CC=CC=C3)C=C1 1 2.786 2 2 -3.96860778649791 2848039 CCCCOC1=CC=C(C=C1)C(=O)NCCCC(=O)N2CCCCC2 1 3.102 2 3 -17.8606169223019 2848016 CC1CN(CC(N1)C)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC=C3 1 3.503 4 3 0 -2.15310265303864 2848009 CN(C1=CC=CC=C1)N=CC2=CC=C(O2)[N+](=O)[O-] 1 3.068 3 3 1.09932163839619e-002 2847991 CCCCS(=O)(=O)N1CN(C2C1NC(=O)N2)S(=O)(=O)CCCC 1 0.424 4 5 0 -15.51571326033 2847950 CC1=CC=[N+](C=C1)C(C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3.[Br-] Br- 1 5.179 1 1 1.73046798392196 2847946 C1CCCC(CC1)NC2=CC3=C(C=C2)OCO3 1 3.721 1 2 -5.77538102235773 2847933 CCOC1=CC=C(C=C1)C(=O)NCCC(=O)NCCCC(=O)OCC 1 1.303 2 5 0 -25.5938501138693 2847910 CC1=C(C(NC(=O)N1)C2=CC=CO2)C(=O)NC3=CC=C(C=C3)Br 1 2.031 3 3 -29.4995836808161 2847907 CCCCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C 1 2.393 2 3 -32.5433178422962 2847889 C1CC(CC=C1)C=NNC(=O)C2=C(C=C(C=C2)Cl)O 1 3.015 2 2 1.82717596994589 2847881 CC1C=C(C2C(C1(COC2C)COC(=O)NC3=CC=CC=C3)C)C 1 3.708 1 3 -1.72233285694814 2847880 CCCOC(=O)C1=C(NC2=C(C1C3=C(C(=CC=C3)OC)OC)C(=O)CCC2)C 1 2.949 1 5 -37.1967287020785 2847867 CC1=C(C(C2=C(N1)CCCC2=O)C3=CN=CC=C3)C(=O)OC(C)C 1 1.685 2 3 0 -35.2438761163656 2847852 C1CCC(CC1)N2C(=O)C3=C(N2)C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O 1 3.849 2 3 -0.104449285032784 2847848 CC1=CC(=NN1S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C 1 3.388 2 2 -7.35844132162208 2847836 C1CC(CC=C1)C=NNC(=O)CCC2=CC=CC=C2 1 3.084 2 1 -7.94627971603346 2847821 CC1C=C(C2C(C1(COC2C3=CC=CC=C3O)CO)C)C 1 2.749 0 3 8.41120765599915 2847808 CCNC1=C(C=CC2=C1C(=O)C3=CC=CC=C3C2=O)C(=O)O 1 2.595 1 4 -2.08945142222609 2847805 CCCCOC1=CC=C(C=C1)C(=O)NCCC(=O)NCCCC(=O)OCC 1 2.283 2 5 0 -26.3258887933642 2847785 COC1=C(C=C(C=C1)CC(=O)NCC2=CC(=CC=C2)CNC(=O)CC3=CC(=C(C=C3)OC)OC)OC 1 3.417 2 6 0 -14.2391035862702 2847784 CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C41 1 4.557 3 3 -5.097707796573 2847776 CCCCCOC1=CC=C(C=C1)C(=O)NCCC(=O)NCCCC(=O)OCC 1 2.739 2 5 0 -25.6318193794974 2847754 CC1=CC(=C(C(=C1)C)NC(=O)C2CCCCN2C)C.Cl Cl- 1 3.467 2 1 -5.08828427855944 2847730 CC1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Br-] Br- 1 4.085 1 1 4.83475240462855 2847708 CCCCCCC(=NNS(=O)(=O)C)C1=CC=CC=C1 1 3.281 2 2 -6.40555687011454 2847695 CC(CC1=CC=CC=C1)N/C=C\2/CC(=O)NC2=O 1 0.888 2 2 0 -4.55946826448188 2847689 CC1=CC=[N+](C=C1)C(C)C(=O)C2=CC=C(C=C2)Cl.[Br-] Br- 1 4.325 1 1 0.389570272511086 2847675 CCOC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N 1 2.779 2 2 -3.09600479967818 2847652 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NN=C(C)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.889 5 2 0 3.99834246937079 2847637 COC1=C(C(=C(C=C1)C=NNC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)OC 1 2.94 3 6 0 -4.72034779803464 2847625 CC1=CC(=C(C=C1)C)N2C(=O)C3=C(N2)C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O 1 4.54 2 3 0.802383297490721 2847622 CC1C2C(C(C=C1C)C=C(C)C)C(=O)NNC2=O 1 1.478 2 2 0 -5.8921811466606 2847599 C1=CC(=CC=C1C(=O)C[N+]2=CC(=CC(=C2)Br)Br)Cl.[Br-] Br- 1 4.851 1 1 0.670741449824453 2847586 C1C(=O)/C(=C/NCCCC(=O)O)/C(=O)N1 1 -1.581 2 4 0 -16.0679352567329 2847585 COC1=C(N=C(C(=C1)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])[N+](=O)[O-] 1 1.785 5 7 0 -6.85217802291144 2847580 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NN=CC4=CC(=CC=C4)[N+](=O)[O-] 1 4.909 5 2 0 6.48028223245536 2847571 CC(CCC1=CC=C(C=C1)OC)NC2=CC=C(C=C2)F 1 4.566 1 1 -1.80113105325765 2847560 COC1=CC=C(C=C1)C2C(=NC3=CC=C(C=C3)Br)C4=CC=CC=C4C2=O 1 5.388 1 2 4.95048854219179e-002 2847524 C1=CC(=CC=C1CC(CC(=O)O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Cl 1 3.305 2 5 0 -7.74496354285112 2847522 CC(=NNC(=O)CNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.253 3 2 -18.9277184901466 2847512 C1CN(CCN1C(=O)C2=CC=CC=N2)C(=N[N+](=O)[O-])N 1 1.791 6 3 0 -9.02037676685331 2847505 CCC(=O)NCCCCCCNC(=O)CC 1 1.454 2 2 0 -10.0445341339815 2847489 CC(C)(C)C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)N(C)C)O 1 4.179 1 2 -2.38384116524931 2847444 CCN(CCNC1=C(C=C(C=C1)Cl)[N+](=O)[O-])C(=O)C2=CC(=C(C=C2OC)N(C)C)[N+](=O)[O-] 1 3.649 5 6 0 -10.5780231950445 2847441 C1CC(CC=C1)C=NNC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.757 2 2 -3.08899458529484 2847431 CC(C)C12CN3CCN(C1)CC(C3)C2O 1 0.531 2 1 0 -0.962611464458666 2847400 CCOC1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OCC)(C)O)C(=O)OCC 1 2.108 0 7 0 -12.4644809110576 2847380 CC(C)(C)N1C(=O)C2=C(N1)C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O 1 2.922 2 3 -1.36214421593396 2847369 C1CSC(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl 1 4.018 2 3 -11.7107258789742 2847348 C1=CC=C(C=C1)C2=C(N=NC(=N2)NN=CC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4 1 4.874 6 2 0 -1.64550317494113 2847345 CC1=C(C(=CC=C1)OCCOCCN2CCOCC2)C 1 2.481 1 3 -0.203789456174994 2847333 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NN=CC4=CC=CC=C4[N+](=O)[O-] 1 4.909 5 2 0 7.34664015391138 2847331 CCOC(=O)CCN1C2=CC=CC=C2N=C1CC(=O)OCC.O.Cl Cl- H2O 1 2.501 2 4 -7.84970638736084 2847319 CC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)[N+]3=CC=CC=C3.[Br-] Br- 1 4.693 1 1 1.53944672034428 2847306 C1=CC=C2C(=C1)C(=CC=C2Cl)OCCN3C=CN=C3 1 3.128 2 1 4.26177084289163 2847300 C1=CC(=CC(=C1)Cl)OCCN2C=CN=C2.Cl Cl- 1 2.219 2 1 3.82168412778249 2847280 CC1CC2(C3C(C1(COC3C4=CC=CC=C4O2)COC(=O)C)C)C 1 2.684 0 4 -8.70638839739949 2847267 CC1C(NC(CC1=NO)C2=CC=CO2)C3=CC=CO3 1 1.879 2 3 0 -1.0165917640269 2847234 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NN=CC4=CN=CC=C4 1 3.864 5 0 9.24724047070075 2847225 CCOC(=O)CCCNC(=O)CCNC(=O)C1=CC=C(C=C1)OC 1 0.955 2 5 0 -25.196829884483 2847199 CCC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)OC)C(=O)OCC 1 2.949 1 5 -31.8390792996137 2847198 COC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N 1 2.43 2 2 -3.40314903732248 2847176 CC(C)(C)NC(=O)C1=CC=C2C3=C(C4=CC=CC=C4C2=O)ON=C13 1 3.144 2 3 -2.63410430825467 2847171 CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCOCC4)[N+](=O)[O-] 1 2.36 4 4 0 -4.16906241339193 2847153 C1=CC=C(C=C1)OC2=C3C(=CC(=C2N)Cl)C(=O)C4=CC=CC=C4C3=O 1 4.286 1 3 4.23316157686773 2847139 C1CC(CC=C1)C=NNC(=O)C2=C(C=CC(=C2)Br)O 1 3.099 2 2 2.56745462340989 2847117 CCOC(=O)C1=C[N+](=CC=C1)C(C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3.[Br-] Br- 1 4.897 1 3 -1.71017449129964 2847071 C1CC(CC=C1)C=NNC(=O)C2=C(C=C(C=C2)O)O 1 2.109 2 3 1.67356151243399 2847060 CC(=C)CN1C2=CC=CC=C2N(C1=O)CC3CS3 1 2.629 2 1 -9.67870109829454 2847047 CCCCCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C 1 2.849 2 3 -31.8492484284294 2847026 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC(=CC(=C3)Br)Br.[Br-] Br- 1 5.705 1 1 2.01163916123533 2847024 CC1C(NC(CC1=O)C2=CC=CO2)C3=CC=CO3.Cl Cl- 1 1.812 1 3 0 -5.38163958615909 2847007 CC1CC2(CCCCC2)[N+](=CC3=CC=CC=C13)[O-] 1 3.418 1 1 -2.09805257391225e-002 2846985 CC1=CC(=C[N+](=C1)C(C)C(=O)C2=CC=C(C=C2)Cl)C.[Br-] Br- 1 4.811 1 1 0.305263383779855 2846976 C1CN2CC3CN1CC(C2)(C3O)CC4=CC=CC=C4 1 1.311 2 1 0 1.32176029203451 2846955 CC1=CC(=C(C=C1)C)N2C(=O)CC(C2=O)CC3=CC(=CC(=C3)C)C 1 4.885 1 2 -4.78279551624347 2846938 CCOC(=O)CCCNC(=O)CCNC(=O)C1=CC=C(C=C1)OC(C)C 1 1.681 2 5 0 -26.3980219644817 2846918 CC(CCC1=CC=CC=C1)NC2=CC(=C(C(=C2)OC)OC)OC 1 4.327 1 3 -6.1366070661578 2846910 CC1C=C(CC2C1C(=O)N(C2=O)C3=CC=CC=C3)C 1 2.709 1 2 -3.30017048183031 2846889 C1=CC=C(C=C1)CC(=O)NCC(=O)NN=CC2=CC=C(C=C2)C(=O)O 1 1.407 3 4 0 -15.1499958417157 2846887 CC1=CC(=C(C=C1)C)OCCCCN2C=CN=C2 1 3.17 2 1 4.67484748788569 2846883 CCCCC1=CC=C(C=C1)NN=C(C(=O)C)C(=O)NC2=CC=CC=C2OC 1 4.4 3 3 -5.54717912693039 2846862 C1=CC=C(C(=C1)NCCNS(=O)(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 2.757 3 4 0 -6.13899393206852 2846829 CC1=C(C(NC(=O)N1)C2=CC=CC=C2Br)C(=O)OC3CCCCC3 1 3.671 2 3 -30.8781975806335 2846827 CC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)[N+]3=CC=CC(=C3)C(=O)N.[Br-] Br- 1 3.695 2 2 -1.76708960116585 2846811 CC1(OCCO1)C(C#N)C2=CC(=C(C=C2)OC)OC 1 1.317 1 4 0 -6.54005190680243 2846792 CCCCC1=CC=C(C=C1)NN=C(C(=O)C)C(=O)NC2=CC(=C(C=C2OC)NC(=O)C)OC 1 3.504 4 5 0 -9.46192071878503 2846785 CC(CCC1=CC=C(C=C1)OC)NC2=CC=CC=C2F 1 4.566 1 1 -2.28722991356901 2846764 CC(CCC1=CC=C(C=C1)OC)NC2=CC(=C(C=C2)F)F 1 4.771 1 1 -1.83406389002713 2846763 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NN=CC4=CC=NC=C4 1 3.864 5 0 9.14396809702572 2846759 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCCCC(=O)NCCCC(=O)O 1 2.247 2 4 -25.9629328545898 2846747 CN1C2C(NC1=O)N(CCN2S(=O)(=O)C)S(=O)(=O)C 1 -2.01 4 5 0 -10.7852720947585 2846727 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NN=C(C)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.889 5 2 0 3.60780219714751 2846718 CC(CCC1=CC=C(C=C1)O)NCC2=C(C=C(C=C2)Cl)Cl 1 5.192 1 1 6.02879130056744 2846707 C1CSCC1N2CCN(CC2)C3=CC=CC=C3 1 2.472 2 0 7.81289925035867 2846686 CC(CC1=CC=C(C=C1)OC)NC2=CC=CC=C2F 1 4.109 1 1 0.823896830470531 2846682 CC(CCC1=CC=CC=C1)N2CCN(CC2)C 1 3.015 2 0 7.04251480557369e-002 2846662 CC1CCCC(C1)N2CCN(CC2)C3=C(C=CC(=C3)C)C 1 5.032 2 0 3.81811685739966 2846656 CC(CCC1=CC=C(C=C1)O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 5.925 1 1 -0.63977252663304 2846620 CC(CCC1=CC=C(C=C1)OC)NCC2=CC=C(C=C2)F 1 4.295 1 1 2.48311720429343 2846599 CC1CCCC(C1)NCCC2=CC=CC=C2OC 1 3.782 1 1 -5.46342063236576 2846586 CC1CCCCC1NC2CCN(CC2)C 1 2.072 2 0 0.107586962811411 2846583 CCCN1CCC(CC1)NC23CC4CC(C2)CC(C4)C3 1 2.91 2 0 1.41617510117701 2846577 CC(CCC1=CC=C(C=C1)OC)NCC2=CC(=CC(=C2)OC)OC 1 4.056 1 3 -1.30161952414634 2846564 CC1=CC=CC=C1CNC2=C(C=CC(=C2)C3=CC=CC=C3)OC 1 5.21 1 1 4.46853255397196 2846554 CC(CCC1=CC=C(C=C1)O)NC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 6.14 1 1 2.04718479822736 2846545 COC1=CC=C(C=C1)CCNC2CCC3=CC=CC=C3C2 1 4.136 1 1 0.887665009065929 2846536 C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)CCC4=CC=CC=C4 1 3.965 3 0 9.40948748758888 2846520 CC(CCC1=CC=C(C=C1)O)N(C)CCC2=CC=CC=C2 1 4.721 1 1 4.03906507015442 2846481 CCN1CCC(CC1)NCC2CCCCC2 1 2.432 2 0 1.5914952963217 2846469 CCCN1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.827 4 2 5.04053236847246 2846452 CC(CCC1=CC=C(C=C1)OC)N(C)CC2=CC=CC=C2 1 4.625 1 1 1.6385070009348 2846450 CC(CC1=CC=C(C=C1)OC)NC2CCCCCC2 1 4.364 1 1 1.01490498158535 2846435 CC1CCC(CC1)N(C)C2CCN(CC2)C 1 2.54 2 0 0.579926539980471 2846431 CC(CCC1=CC=CC=C1)N2CCN(CC2)CC3=CC=CC=C3 1 4.599 2 0 0.718152557817657 2846428 CC1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.954 3 2 1.46168725952139 2846426 CC(CC1=CC(=C(C=C1)OC)OC)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 5.141 2 2 6.38998911867698 2846416 CC1CCCC(C1)N2CCN(CC2)C3=CC=CC=C3OC 1 4.043 2 1 2.30504823717499 2846403 CCCCN(CC1=CC=CC=C1)C2CCN(CC2)CCC3=CC=CC=C3 1 5.247 2 0 2.71107320055487 2846394 CC(CCC1=CC=C(C=C1)O)NCCC2=CC=CC=C2OC 1 4.168 1 2 -1.98479511096354 2846385 C1CC2CC1CC2N3CCN(CC3)C4=CC=CC=C4 1 3.551 2 0 10.0907720628254 2846382 CC(CC1=CC=C(C=C1)OC)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 5.694 1 1 -1.82606307294512 2846380 CN1CCC(CC1)NC2=CC(=C(C=C2)F)Cl 1 2.619 2 0 2.67988005465012 2846368 CC(CCC1=CC=CC=C1)NCC2=CC=C(C=C2)OC 1 4.089 1 1 1.23795269865887 2846358 CC(CCC1=CC=C(C=C1)OC)NCC(C)C2=CC=CC=C2 1 4.73 1 1 -1.14059890379221 2846345 CC(CCC1=CC=C(C=C1)OC)NCC2=CC(=C(C=C2)Cl)Cl 1 5.418 1 1 3.45608852132443 2846342 C1CCCC(CCC1)NCCCN2C=CN=C2 1 2.359 3 0 0.953502813062064 2846327 CC(CCC1=CC=C(C=C1)OC)NCC2=CC=CC=C2OC 1 4.073 1 2 0.193612345830336 2846322 C1CC2CC1CC2N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 4.493 2 0 15.9445265336509 2846318 CC(CC1=CC=C(C=C1)OC)NCCC2=CC(=C(C=C2)OC)OC 1 3.921 1 3 -2.4970735846411 2846305 CC(CCC1=CC=C(C=C1)OC)NCCC2=CC=CC=C2 1 4.41 1 1 -0.730480906055342 2846303 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3CCC(CC3)C(C)(C)C 1 4.713 2 1 -0.65866960217481 2846301 CCN1CCN(CC1)C(C)CCC2=CC=CC=C2 1 3.364 2 0 -1.53623075539513 2846300 CCCN1CCC(CC1)N(CCC2=CC=CC=C2)CC3=CC=CC=C3 1 4.791 2 0 1.62251364156724 2846295 CC(CCC1=CC=C(C=C1)OC)NCC2CCCCC2 1 4.695 1 1 -1.18189720639565 2846281 CC(CC1=CC(=C(C=C1)OC)OC)N2CCN(CC2)C3=CC=CC=C3 1 4.198 2 2 0.676072552073063 2846278 CC1CC(CN(C1)CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C 1 3.095 2 4 -2.68481667342181 2846276 CC1CCCC(C1)NC2CCCCNC2=O 1 2.006 2 1 -12.1180110140453 2846261 CC(CCC1=CC=C(C=C1)OC)N2CCOCC2 1 2.729 1 2 -2.33895736346052 2846253 CCCN1CCC(CC1)NCC(C)C2=CC=CC=C2 1 2.991 2 0 0.806157170765721 2846250 CC(CCC1=CC=CC=C1)NCC2=CC=NC=C2 1 2.955 2 0 1.12691445702698 2846243 CC(CCC1=CC=C(C=C1)OC)NCCC2=CC=C(C=C2)OC 1 4.394 1 2 -1.02351236810359 2846233 CC(CCC1=CC=C(C=C1)OC)NC2CCCCCCC2 1 5.276 1 1 -0.526524126207397 2846231 CC1=CC(=C(C=C1)C)N2CCN(CC2)CC3CCC=CC3 1 4.666 2 0 7.68589921857228 2846217 C1C2CC(C1C=C2)CN(CCO)CC3=CC=CC=C3 1 2.784 1 1 11.1043650456715 2846208 CCN1CCN(CC1)CC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.882 2 0 -4.52944637019583 2846207 CCC1CCCCN1CC2=CC(=C(C=C2)OC)C 1 4.191 1 1 4.86996887283748e-002 2846192 CC1CCCN(C1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC 1 4.69 1 2 -2.96682768136247 2846178 CC(CN1CCC(CC1)O)C2=CC=CC=C2 1 1.976 1 1 0 1.6534448738203 2846177 CC(CCC=C(C)C)CN1CCC(CC1)O 1 2.771 1 1 -0.148284577009644 2846168 CCOC(=O)C1CCCN(C1)CCCC2=CC=CC=C2 1 3.492 1 2 -0.980468962244701 2846152 CC1CN(CC(O1)C)CCC2=CC=CC=C2 1 2.667 1 1 -2.14270347135197 2846149 CC(CN(CC1=CC=C(C=C1)Cl)CC(C)O)O 1 2.244 1 2 4.23588547618213 2846136 CC(CCN1CCN(CC1)C2=CC=C(C=C2)F)C3=CC=CC=C3 1 4.767 2 0 6.70556270947169 2846132 CC1CCCN(C1)CC2=CC=C(C=C2)OCC3=CC=CC=C3 1 4.707 1 1 1.61350435375546 2846129 CC1CCCN(C1)CC2=CC(=CC=C2)OC3=CC=CC=C3 1 4.7 1 1 4.5654836357157 2846100 CCOC(=O)C1CCCN(C1)CC2=C(C=CC=C2Cl)Cl 1 4.043 1 2 -3.60303281492716 2846086 CC(=C)C1CCC(=CC1)CN2CCC(CC2)O 1 2.522 1 1 10.211347282123 2846085 C1CC(CC=C1)CN(CCO)CC2=CC=CC=C2 1 3.108 1 1 10.8100722596525 2846028 C1CC(CN(C1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O 1 3.969 1 1 7.11854213065151 2846026 CC1(CC2CC(C1)(CN2CC3=C(C=CC4=CC=CC=C43)O)C)C 1 4.611 1 1 -2.99558603695787 2846021 CC(=C)C1CCC(=CC1)CN2CCN(CC2)CC3=CC=CC=C3 1 4.63 2 0 11.0738903580818 2846003 CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN2CCCC(C2)O 1 4.412 1 2 5.90475990736683 2845979 CCC1CCCCN1CC2=C(C(=C(C=C2)OC)C)C 1 4.678 1 1 1.79147291511501 2845974 CC(CCN1CCN(CC1)C2=CC=CC=N2)C3=CC=CC=C3 1 3.95 3 0 4.71357479814688 2845970 CCOC(=O)C1CCN(CC1)CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3 1 4.13 1 4 -5.98030121115375 2845965 CCOC(=O)C1CCCN(C1)CCC2=CC=CC=C2 1 3.036 1 2 -0.568716743624386 2845955 CCOC(=O)C1CCCN(C1)CC2=C(C=CC=C2Cl)F 1 3.584 1 2 -5.06354278367834 2845936 CC1CCCN(C1)CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-] 1 2.776 2 4 0.505493739215249 2845906 CCN1CCN(CC1)CC2CC3CC2C=C3 1 2.046 2 0 7.10013317921697 2845896 CC1CCCCN1CC2=CC(=C(C=C2)OC)OC 1 3.165 1 2 -5.17216954703668 2845880 CC1CCCCN1CC2=CC=C(C=C2)N(C)C 1 3.36 2 0 -2.9934518768528 2845871 C1CN(CCN1CC2CC3CC2C=C3)C4=CC=CC=C4F 1 3.574 2 0 11.5231228135575 2845863 C1CC(CN(C1)CC2=C3C=CC=CC3=CC4=CC=CC=C42)O 1 3.67 1 1 5.04398889297902 2845860 C1CCC(CC1)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.032 3 2 2.54752132273731 2845859 C1CN(CCN1CC2CC3CC2C=C3)C4=CC=CC(=C4)C(F)(F)F 1 4.311 2 0 16.5423627427267 2845858 CCOC(=O)C1CCCN(C1)CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3 1 4.265 1 4 -5.76781151048975 2845855 CC(CN1CCOCC1)C2=CC=CC=C2 1 2.231 1 1 -1.71238230513188 2845852 CCOC(=O)C1CCN(CC1)CC2=CCC(CC2)C(=C)C 1 3.766 1 2 5.10486076510036 2845828 C1CC(CN(C1)CCC2=CC=CC=C2)C(=O)N 1 1.834 2 1 0 4.32559618485493 2845827 CCC1CCCCN1CC2=CC(=C(C=C2)OC)OC 1 3.689 1 2 -5.39864915324236 2845822 CC(CCN1CCOCC1)C2=CC=CC=C2 1 2.62 1 1 8.77632291786963e-002 2845811 CC(CN(CC1=CC(=CC=C1)Cl)CC(C)O)O 1 2.244 1 2 4.93229135430681 2845805 C=CCOC1=CC=CC=C1CN2CCCCCC2 1 3.877 1 1 -3.91996659660784 2845803 CC1(C2CC=C(C1C2)CN3CCOCC3)C 1 2.147 1 1 8.58346692049814 2845802 C1COCCN1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2 1 3.706 1 1 3.37254577045957 2845797 C1CC(CN(C1)CC2=CC=C(C=C2)Cl)C(=O)N 1 2.177 2 1 6.10832035561521 2845779 CC(CCN1CCN(CC1)C2=CC=CC=C2)C3=CC=CC=C3.Cl Cl- 1 4.562 2 0 5.43935102681596 2845758 CCOC(=O)C1CCCCN1CC2=C(C=CC(=C2)Cl)O 1 3.434 1 3 1.81930936024823 2845756 CCCCOC1=CC=C(C=C1)CN2CCN(CC2)CC 1 3.521 2 1 1.62709701657943 2845747 CC(CN(C)C1CCN(CC1)C)C2=CC=CC=C2 1 2.654 2 0 0.680372986152119 2845745 CCCCOC1=CC=C(C=C1)CN2CCN(CC2)CCO 1 2.633 2 2 3.8273182316481 2845711 CCOC1=CC=CC(=C1O)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 4.565 2 2 11.5705618437556 2845706 CC(CN1CCCC(C1)C(=O)N)C2=CC=CC=C2 1 2.153 2 1 1.54687079492699 2845698 CCC1CCCCN1CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-] 1 3.358 2 4 -2.63899604167336 2845686 CC(CCN1CCN(CC1)CCO)C2=CC=CC=C2 1 2.35 2 1 3.99330660578878 2845669 CN1CCCN(CC1)CC2=CC=CC=C2OCC=C 1 2.523 2 1 -1.11896045270475 2845664 CC1CCCCN1CC2=CC(=C(C=C2)OC)C 1 3.668 1 1 0.275179294934055 2845646 CC1CCCCN1CC2=C(C(=C(C=C2)OC)C)C 1 4.154 1 1 2.01795252132069 2845641 C1CC(CC=C1)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 4.636 2 0 13.9592459976491 2845640 CCOC(=O)C1CCCN(C1)CCC(C)C2=CC=CC=C2 1 3.744 1 2 -1.47967406827588 2845633 CC(CN1CCN(CC1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.173 2 0 3.63920549250539 2845604 CCCCCCOC1=CC=C(C=C1)CN2CCN(CC2)C 1 4.085 2 1 4.30702022696022 2845581 CC1=C(C(=CC=C1)N2CCN(CC2)CCC3=CC=CC=C3)C 1 4.826 2 0 10.080262872358 2845562 CC1(C2CC=C(C1C2)CN3CCC(CC3)O)C 1 1.892 1 1 0 11.9492940994503 2845552 CCCCCCOC1=CC=C(C=C1)CN2CCN(CC2)CCO 1 3.546 2 2 4.46413752797854 2845548 CC1=CC(=C(C=C1)C)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-] 1 4.141 3 4 0 4.27328207112629 2845539 C1CN(CCN1CC2=CC=NC=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.276 4 2 4.06908019790391 2845493 C1CC(CN(C1)CC2=CC3=CC=CC=C3C=C2)C(=O)N 1 2.421 2 1 5.95171813683305 2845488 CC1CN(CC(O1)C)CC2=CCC(CC2)C(=C)C 1 3.532 1 1 4.42974241867695 2845487 C1CN(CCN1CC2CC3CC2C=C3)C4=CC=CC=C4 1 3.369 2 0 10.6886082719012 2845444 CC(CC1=C(C=C(C=C1)OC)OC)N2CCN(CC2)CC3=CC=CC=C3 1 4.11 2 2 3.10209496408591 2845439 CN1CCCC1CCNC2C3CC4CC(C3)CC2C4 1 2.732 2 0 2.65262994451979 2845421 CCC1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.41 3 2 0.776431723318809 2845400 CC1CCC(C1)NCC2=CC(=CC(=C2)OC)OC 1 2.988 1 2 -2.49921812485006 2845380 C1CC(CN(C1)CC2=CC3=C(C=C2)C4=CC=CC=C4C3)O 1 3.516 1 1 9.23033944584837 2845379 CC(CCC1=CC=C(C=C1)OC)NCC2=CC=C(C=C2)C(F)(F)F 1 5.032 1 1 5.36700706616047 2845371 CC1=CC=C(C=C1)N2CCN(CC2)CC3CCC=CC3 1 4.179 2 0 8.36679472196579 2845311 CC(CCC1=CC=C(C=C1)O)NC2C3CC4CC(C3)CC2C4 1 4.537 1 1 4.19769678504795 2845279 CC1CCCC(C1)N2CCN(CC2)C3=CC(=CC=C3)OC 1 4.043 2 1 5.22879587862566 2845240 CN1CCCN(CC1)CC2=CC(=C(C=C2Br)OC)OC 1 2.638 2 2 2.96286155323617 2845226 COC1=C(C=C(C=C1)CN2CCC(=CC2)C3=CC=C(C=C3)F)Br 1 4.927 1 1 -0.70550633816627 2845213 CC(CCC1=CC=C(C=C1)OC)NC2C3CC4CC(C3)CC2C4 1 4.763 1 1 1.90485646476467 2845209 CC(CCC1=CC=C(C=C1)O)NCC2=CC=C(C=C2)Br 1 4.612 1 1 4.42941944459684 2845194 CC1CCC(C1)N2CCN(CC2)C3=NC=CC=N3 1 1.725 4 0 0 4.25754036379139 2845161 CC1=CC=C(C=C1)C2=CSC(=N2)NN=CC3=CC=C(C=C3)C(=O)OC 1 4.097 3 2 8.54017196847378e-002 2845151 C1=CC=C(C=C1)C2=CSC(=N2)NN=CC3=CC=CO3 1 3.15 3 1 3.57250947137037 2845139 CC(CC1=CC=CC=C1)NC(=O)C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N 1 3.356 3 1 -7.27303650286434 2845137 CC(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N 1 2.573 2 1 -6.8047672828838 2845132 CC(C(=O)C1=CC2=CC=CC=C2C=C1)N3CCCCC3 1 3.885 1 1 -2.41571393268902 2845120 C1=CC(=C(C=C1Cl)NN=CC2=CC=NC=C2)[N+](=O)[O-] 1 2.856 4 2 1.45212478633186 2845119 CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3 1 4.019 5 2 0 3.12104053255368 2845109 C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCCO 1 0.905 3 4 0 -1.30705828283102 2845097 CN(C1=CC=CC=C1)N=CC2=CC(=C(C=C2OC)OC)OC 1 3.605 2 3 -4.32359808024542 2845091 CN(C1=CC=CC=C1)N=CC2=CC3=C(C=C2)OCO3 1 3.422 2 2 -0.923477841775208 2845089 CN(C1=CC=CC=C1)N=CC2=C(C=CC(=C2)OC)OC 1 3.621 2 2 -1.09135398008252 2845086 CCOC1=C(C=C(C=C1)C=NN(C)C2=CC=CC=C2)OC 1 3.97 2 2 -5.0409713206222 2845081 C1=CC=C(C=C1)N2C(=NN=N2)NN=CC3=CC=C(C=C3)F 1 2.445 6 0 -8.49503177375848 2845070 CCOC(=O)C1=C(NC2=C(C1C3=CN=CC=C3)C(=O)CCC2)C 1 1.307 2 3 0 -33.8919212986101 2845069 CCOC(=O)C1=C(NC2=C(C1C3=CSC=C3)C(=O)CCC2)C 1 2.12 1 3 -35.5258137178084 2845056 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C 1 4.286 2 4 -9.71972277446406 2845053 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-] 1 2.191 3 5 0 -19.9277726070816 2845040 CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC=C(C=C3)Cl 1 3.016 2 2 -2.90992378026372 2845036 C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3)C(F)(F)F 1 3.44 2 2 -1.04257688862601 2844994 CC(C)(C)C1=NN(C(C1)(C(C)(C)C)O)C(=O)C2=CC=CC=C2 1 3.78 2 2 0.971647769908882 2844987 C1C(=O)N(C(S1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.133 2 3 -13.12573417487 2844986 CC1=CC=C(C=C1)C2NC(=O)C3=CC=CC=C3O2 1 3.109 1 2 -1.54515585403825 2844985 C1=CC=C2C(=C1)C(=O)NC(O2)C3=CC=C(C=C3)Cl 1 3.287 1 2 0.276842836548569 2844976 C1CCC(=C2C(=O)NC(=S)S2)C1 1 2.796 1 1 -1.10124614806046 2844956 C1CCC(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O 1 2.036 1 5 -9.33749415740169 2844955 C1CCC(CC1)NC(=O)C2CCCCC2C(=O)O 1 2.543 1 3 -7.2002107118991 2844935 C1CCC(=NNC2=NC(=O)CS2)C1 1 1.219 3 1 0 -10.4511417568397 2844932 COC1=CC=CC=C1N2C(=O)C3C4CCC(C3C2=O)C=C4 1 2.126 1 3 -0.704550349517352 2844905 CC1(CC1(Br)Br)C(=O)NC2=CC3=CC=CC=C3C=C2 1 3.693 1 1 -1.83303722009289 2844902 C1CCC(C1)NC(=O)C2CC2C3=CC=CC=C3 1 2.817 1 1 -5.97701566393159 2844895 CC1=CC(=C(C(=C1)C)OC2(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4)C 1 6.291 0 3 -2.17429285176252 2844894 CC1=C(C(=CC=C1)C)OC2(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4 1 5.805 0 3 -3.40262428360218 2844893 CC1=C(C(=CC=C1)OC2(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4)C 1 5.805 0 3 -0.741196348850684 2844889 CCCCC(CC)COC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3 1 6.086 0 3 -7.42490137559612 2844888 CCCCCCCOC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3 1 5.766 0 3 -4.72767170579592 2844887 CCCCCCOC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3 1 5.31 0 3 -4.72767170579592 2844883 COC1=CC=C(C=C1)NC2(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4 1 4.641 1 3 -4.80595693885715 2844839 C=CCOC(=O)C1CC=CCC1C(=O)OC2=C(C=C(C=C2)F)F 1 3.717 0 4 -6.53670777918421 2844834 CC1COC2C(O1)N(CCN2S(=O)(=O)C)S(=O)(=O)C 1 -1.289 2 6 0 -11.4798326519273 2844802 C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 3.133 2 3 -14.528179777253 2844794 C1=CC=C2C(=C1)C=CC=C2OC3C(C(C(C(O3)CO)O)O)O 1 0.566 0 6 0 -11.1685406898657 2844728 CCOC(=O)C1=C(OC(=C(C1C2=CC=CS2)C#N)N)C3=CC=CC=C3 1 2.941 2 3 -15.1198309348893 2844723 CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=CC=C3)F 1 3.229 3 1 -5.96050421419605 2844656 COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)OC 1 2.702 2 6 0 -8.71896193307991 2844536 C1COCCN1C2=NC(=NC(=N2)NN3C(SCC3=O)C4=CC=CC=C4)N5CCOCC5 1 0.762 7 3 0 -9.31067574446155 2844535 CCC1=NN=C(N1N)NN=CC2=C(C=CC=C2Cl)F 1 2.022 6 0 -9.29864861412134 2844529 COC1=CC=C(C=C1)NC(=O)C2CCC(=O)N2 1 0.384 2 3 0 -10.1627048312001 2844520 CC(C)(C)C1=CC=C(C=C1)C=NNC2=NN=CN2N 1 1.625 6 0 0 -2.01304164931294 2844517 CCC1=NN=C(N1N)NN=CC2=CC(=C(C=C2C)C)C 1 2.611 6 0 -6.69871540640164 2844505 C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)C=NNC2=NN=CN2N 1 1.448 7 2 0 -5.54700042979341 2844447 C1=CC(=CC=C1C=NNC2=NN=CN2N)F 1 0.43 6 0 0 -3.879298772959 2844429 COC1=C(C=C(C=C1)C=NNC2=NN=CN2N)Br 1 0.957 6 1 0 -4.92653993394168 2844395 CC(C)NC(=O)CC(=O)NN=C1CCCCC1 1 0.859 3 2 0 -16.1922799631663 2844391 CC(C(=O)NN=CC1=CC=CC2=CC=CC=C21)O 1 1.739 2 2 0 -2.6518477367463 2844387 CC1=C(C=C(C=C1)NC(=O)C(=O)NN=C2CCCC2)C 1 2.19 3 2 -9.88344759161569 2844383 C1CCC(=NNC(=O)C(=O)NCCC2=CC=CC=C2)C1 1 1.546 3 2 0 -13.1390442114507 2844377 C1CCC(CC1)NC(=O)C(=O)NCC2=CN=CC=C2 1 1.019 3 2 0 -13.978498441979 2844369 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC 1 0.795 2 2 0 -8.29369512158826 2844319 COC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4 1 1.998 1 4 0 -2.78581307283327 2844297 CC1=CC(=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C45CC5)[N+](=O)[O-] 1 2.154 2 4 -0.909598553833049 2844281 C1COCCN1C2=NC(=NC(=N2)NN=CC3=CN=CC=C3)N4CCOCC4 1 -0.201 8 2 0 -3.50131946153242 2844277 CC1=C(C=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4)Br 1 3.378 1 2 2.57408606106265 2844273 COC1=C(C=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)OC 1 3.148 1 3 -11.760677827584 2844264 CC1=CC=C(O1)C=NNC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4 1 2.949 7 1 0 -2.22560471769315 2844252 CC1=CC(=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4)[N+](=O)[O-] 1 2.523 2 4 1.54819929826473 2844249 CN(C)C1=NC(=NC(=N1)NN=CC2=CC=C(C=C2)Br)NCC3=CC=CC=C3 1 3.7 7 0 0 -4.2892896196973 2844195 C1C2CC3CC1CC(C2)(C3)NC(=O)C4CC(=O)N(C4)C5=CC=C(C=C5)Br 1 3.201 2 2 -8.78370339914765 2844181 COC1=CC=C(C=C1)N(CC(=O)NCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 3.406 2 8 0 -24.4648177191071 2844179 C1CC2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC=C4[N+](=O)[O-] 1 2.037 2 4 0.247165293459403 2844156 C1CC2C=CC1C3C2C(=O)N(C3=O)C4=C(C=C(C=C4)Br)[N+](=O)[O-] 1 2.786 2 4 2.9461600275598 2844150 CC1=CC(=C(C=C1)C)NC(=O)C2CC(=O)N(C2)C3CCCCC3 1 3.14 2 2 -9.70693794125905 2843996 CCSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 1 3.203 2 2 -1.82240842603686 2843988 CCC(C)SC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)O 1 4.078 2 2 -12.5395271868012 2843983 CCC(C)C1=C(N=C(NC1=O)SCC(=O)NC2=CC=CC=C2)O 1 3.14 3 3 -16.9949165401282 2843982 CCC(C)C1=C(N=C(NC1=O)SCC(=O)C2=CC=CC=C2)O 1 3.76 2 3 -12.3594910539472 2843981 CCC(C)C1=C(N=C(NC1=O)SCC2=CC=CC=C2)O 1 4.087 2 2 -13.0995012373622 2843950 CCN(CC)C1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2 1 2.77 3 2 -5.32862229389335 2843949 CC1=CC2=C(C=C1)C=CC(=N2)C3C(=O)C4=CC=CC=C4C3=O 1 3.92 1 2 0.429990705347184 2843938 CCOC(=O)CNC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C 1 3.709 1 3 -3.85465545115844 2843935 CCOC1=C(C=C(C=C1)CSC2=NCCN2)Cl.Cl Cl- 1 3.234 2 1 -9.78276469439738 2843934 CC1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CS2 1 4.732 2 1 -17.4056272186554 2843930 CC(C)(C)C1=CC=C(C=C1)OCCCN2C=CN=C2 1 3.018 2 1 4.85093182224 2843926 CC1=NC(=CN1CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.148 5 5 0 -10.4005657222985 2843925 C1CC(CC=C1)C(=O)NNC(=O)C2=CC=CC=C2O 1 1.647 2 3 0 -3.20225126765262 2843917 C1CC(CC=C1)C(=O)NNC(=O)C2=CC=CC=C2Br 1 2.637 2 2 -6.33483013004199 2843908 CCC1=NC(N(C1(C)C)O)C2=CC=CC=C2OC 1 2.616 2 2 3.17670581363405 2843901 CC(C)NCC(COCCOC1=CC=C(C=C1)Cl)O.Cl Cl- 1 2.165 1 3 -0.498139451061863 2843886 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NN 1 2.956 2 1 3.88485562585913 2843884 CCOC1=C(C=C(C=C1)CSC(=N)N)[N+](=O)[O-].Cl Cl- 1 2.234 3 3 -5.74138079677481 2843881 C1=CC=C(C=C1)C(=O)CC2=C3C=CC=CC3=NC4=CC=CC=C42 1 4.792 1 1 0.575981580228517 2843865 CC(C(=O)N1CCN(CC1)C)N2C(=O)C3=CC=CC=C3C2=O 1 0.569 3 3 0 -11.5562479897182 2843861 CC1C2CC(C1(C)C)CC2=NNC3=NC(=C(S3)C(=O)C)C.Br Br- 1 2.444 3 1 -4.87178274477902 2843860 CCC1=NC(N(C1(C)C)O)C2=CC=CC=C2 1 2.632 2 1 5.95325709764575 2843858 CC1(C2CCC1(C(=O)N(C2=O)NC(=O)C3=CC=CC=C3Cl)C)C 1 2.796 2 3 -9.45611496105824 2843799 CCOC(=O)C(CCCCCOC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC 1 3.882 1 7 0 -8.30799824661573 2843804 CCC1=NC(N(C1(C)C)O)C2=CC=CC=C2Cl 1 3.296 2 1 3.86609869257221 2843805 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N=CN(C)C 1 2.31 2 4 -6.13744376085767 2843814 C1=CC(=CC=C1OCCCN2C=CN=C2)F 1 1.823 2 1 0 2.98467469859394 2843815 C1COCC[N+]1(CC#CC2=CC=CC=C2)CC#CC3=CC=CC4=CC=CC=C43.[Br-] Br- 1 3.909 1 1 2.04234976203509 2843843 CC1=CC(=C(C(=C1)OCCCN2C=CN=C2)C)C 1 3.076 2 1 3.35108958428317 2843839 COC1=CC=C(C=C1)C(=O)NNC(=O)C2CCC=CC2 1 1.872 2 3 0 -6.28383755846344 2843837 CCC1=NC(N(C1(C)C)O)C2=CC(=C(C=C2)OC)OC 1 2.599 2 3 1.23838608464444 2843832 CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C(S3)N)C 1 2.843 4 1 11.6744501236315 2843791 CCCC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=CC=C1F 1 3.956 2 1 -22.6358623861705 2843780 CC1=C(C=C(C=C1)OCCCN2C=CN=C2)C 1 2.59 2 1 2.08688568796298 2843726 COC1=C(C=C(C=C1)CSC(=N)N)[N+](=O)[O-].Cl Cl- 1 1.885 3 3 0 -6.40111641607763 2843722 CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC1=CC=CC=C1F 1 3.963 2 1 -16.6758921358894 2843709 CC1=NC(=CN1CC(=O)NC2=CC(=C(C=C2)F)Cl)[N+](=O)[O-] 1 2.123 4 3 0 -7.12067648738674 2843704 CCC1=NC(N(C1(C)C)O)C2=CC=C(C=C2)Br 1 3.38 2 1 6.77094972739136 2843672 C1=CC=C(C(=C1)OCCCN2C=CN=C2)Cl 1 2.282 2 1 1.95422170282268 2843670 CCC1=NC(N(C1(C)C)O)C2=CC=C(C=C2)OC 1 2.616 2 2 5.99264457276184 2843656 CCOC(=O)C1=CN=C(N=C1N)C2=CC=CC=C2 1 1.668 3 2 0 8.26490358784262e-002 2843646 CN(C)C=NC1=C(C2=C(S1)CCCC2)C#N 1 2.386 3 0 -8.12504313628237 2843642 CC1=CC=CC=C1NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CS2 1 4.732 2 1 -18.3287362640491 2843634 CC1(CC(=O)C(=CNCCN2CCN(CC2)C(=O)CC3=CC=CC=C3)C(=O)C1)C 1 1.224 3 3 0 -19.0197030524604 2843633 CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)CCC(=O)O 1 0.603 2 2 0 4.3344293088321 2843626 C1CC(CC=C1)C(=O)NNC(=O)C2=CC=CC=C2Cl 1 2.553 2 2 -7.25311593990701 2843617 CCCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)Br 1 3.188 1 3 -15.320014098967 2843613 CC1(N=C(N=C(N1C2=CC=C(C=C2)C(=O)O)N)N)C.Cl Cl- 1 -5.7e-002 5 2 0 7.3590283857941 2843591 CC1(C2CCC1(C(=O)N(C2=O)NC(=O)C3=CC=C(C=C3)OC)C)C 1 2.115 2 4 -9.71315849866022 2843583 C1CCC(CC1)NC(=O)NC2=CC(=CC=C2)F 1 3.01 2 1 -4.71835788882367 2843572 CCOC(=O)C(CCCCCOC1=CC=CC=C1[N+](=O)[O-])C(=O)OCC 1 3.882 1 7 0 -9.67606557739628 2843569 C1=CC(=CC(=C1)Cl)OCCCN2C=CN=C2 1 2.282 2 1 3.6267030911984 2843565 CC1=C(C(=CC=C1)C)OCC(CNC(C)C)O.Cl Cl- 1 2.604 1 2 -3.05738868561816 2843560 CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=CC=C1F 1 4.208 2 1 -17.8305128912115 2843558 C1CCC(CC1)NC(=O)CCC(=O)OCCCC(C(F)(F)F)(F)F 1 3.185 1 3 -16.5920092071047 2843557 CN(C)C=NC1=C(C=CS1)C(=O)N 1 0.126 3 1 0 -2.92718047690642 2843536 CC1CC2(CC(C1(CO2)COC(=O)NC3=CC=CC=C3)C)C 1 3.203 1 3 -6.4755594512748 2843531 CN(CC1=CC=CC=C1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2 1 4.557 2 1 -7.95636306951692 2843524 C1=CC=C(C(=C1)OCCCN2C=CN=C2)F 1 1.823 2 1 0 2.27977874817352 2843521 CCOC(=O)C(CCCCOC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC 1 3.426 1 7 0 -8.25074812907936 2843517 CC1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2 1 2.185 1 3 -10.2151413473759 2843501 CC(=O)OC1=CC(=C(C=C1)OC(=O)C)SCCCCC[NH+]2CCOCC2.[Cl-] Cl- 1 1.271 1 5 0 -8.4628890709862 2843496 CCN(CC)CC(=O)NC1=C(C=C(C=C1C)C)C.Cl Cl- 1 3.112 2 1 -7.08824569631178 2843487 COC1=CC=CC=C1C(=O)NNC(=O)C2CCC=CC2 1 1.872 2 3 0 -8.77434820677991 2843486 CCCCCC1CC(=NO)C=C(C1C(=O)OC)C 1 3.291 1 3 -0.953614543629331 2843475 CC1=C(C(=CC=C1)C)OCCCN2C=CN=C2 1 2.59 2 1 1.16775836502871 2843464 CCN(CC)C=NC1=NN(CC1)C2=CC=CC(=C2)C(F)(F)F 1 3.184 4 0 5.2978298136331 2843453 CC1=C(C=C(C=C1)OCC(CN2CCOCC2)O)C.Cl Cl- 1 2.101 1 3 -5.22681336448795 2843451 CC1CN(CC(O1)C)CC(COC2=CC(=CC(=C2)C)C)O.Cl Cl- 1 2.856 1 3 -6.48886638808296 2843446 COC1=CC(=CC=C1)OCCCN2C=CN=C2.Cl Cl- 1 1.601 2 2 0 1.27022573680846 2843434 CCC1=C(C=CC(=N1)C)OCC(=O)O.Cl Cl- 1 1.376 1 3 0 -10.8229669247983 2843418 CSC1=C(C(=O)N(N=C1)C2=CC=CC=C2)SC 1 1.969 2 1 0 -1.95118729642548 2843413 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCOCC3 1 1.297 3 7 0 -23.5236276225713 2843410 C1C2CC3CC1CC(C2)(C3)CC(=O)NN=CC4=CC=C(O4)[N+](=O)[O-] 1 3.023 3 4 0 -6.09964726571331 2843403 CCCCON1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O 1 2.945 1 3 -1.26391111908341 2843397 CC1CN(CC(O1)C)CC2=CC=CC=C2Cl 1 3.01 1 1 -2.19359589029489 2843392 C1CC2=CC=CC=C2N(C1)C(=O)CCCOC3=C(C=C(C=C3)Cl)Cl 1 5.085 1 2 -7.6810774498964 2843391 CCC1=C(N(C(=NC1=O)SCC)C(C)CC)O 1 3.601 2 2 -7.93127198753647 2843385 CC1=C(C=C(C=C1)C(=O)NCCCN2C=CN=C2)[N+](=O)[O-] 1 1.222 4 3 0 -9.42183569384615 2843381 C1CC(OC1)CNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 3.13 1 3 -14.7083408032113 2843374 CC1CCCN(C1)C(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.894 2 4 0 -6.08979906264262 2843368 CC1=CC=C(C=C1)S(=O)(=O)NCCCN2C=CN=C2 1 1.031 3 2 0 -3.55456363687624 2843367 CC(C)(C)C1=CC=C(C=C1)OCC(CSC2=NC=NN2)O 1 3.195 3 2 -6.14406792337514 2843365 CC1C2=CC(=C(C=C2CCN1C(=O)C3=CC4=CC=CC=C4O3)OC)OC 1 3.841 1 4 -11.2302632279601 2843346 C1C(CN(C1=O)CC2=CC=CC=C2)C3=CC=CC=C3 1 2.77 1 1 -5.50680138033198 2843345 CC1=CC(=C(C=C1)NC(=O)C2=CN=CC=C2)[N+](=O)[O-] 1 1.844 3 3 0 -7.98817354029771 2843341 C1=CC=NC(=C1)SCC(COC2=CC=C(C=C2)Cl)O 1 3.546 1 2 -3.24905017201574 2843337 CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC=C2)C(C)CC)O 1 3.888 3 3 -14.3381761068472 2843331 CCC12CC3CC(C1)CC(C3)(C2)C(=O)NNC(=O)N 1 1.55 3 2 0 -5.13745556559048 2843323 C1=CN(C=N1)CCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 0.631 5 5 0 -8.20867845105717 2843313 C[N+]1=C(SC2=CC=CC=C21)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O OCl(=O)(=O)=O 1 4.275 1 0 5.54239176850202 2843312 COC1=CC(=C(C=C1)OC)CN2CCCC(C2)CO 1 1.887 1 3 0 3.71360375485898 2843306 CCC1=C(N(C(=NC1=O)SCC2=CC=CC=C2)C(C)CC)O 1 4.835 2 2 -10.9572478158013 2843300 COC1=CC(=C(C=C1)NC(=O)C2=CN=CC=C2)[N+](=O)[O-] 1 1.342 3 4 0 -8.47085040600753 2843289 CC1CN(CC(O1)C)CC2=C(C=C(C=C2)Cl)Cl 1 3.675 1 1 0.353930983341786 2843279 C1=CC=C2C(=C1)C=CC=C2C[N+]3=CSC4=CC=CC=C43.[Br-] Br- 1 5.611 1 0 5.26155782473106 2843275 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.718 1 2 -11.8486234799233 2843263 CCCCS(=O)CC(COC1=CC=C(C=C1)C(C)(C)C)O 1 3.533 0 3 1.68267395355531 2843251 CC1=CC2=C(C=C1)[N+](=CS2)CC3=CC=CC=C3.[Br-] Br- 1 5.189 1 0 6.05940458400952 2843233 CC1=CC(=NC(=N1)SCCN2CCOCC2)C.Cl Cl- 1 1.505 3 1 0 -7.15099681723432 2843232 C1=CC(=CC=C1CS(=O)CC(COC2=CC=C(C=C2)Cl)O)Cl 1 3.717 0 3 3.41377351001093 2843219 C1=CC=C2C(=C1)[N+](=CS2)CC3=CC=C(C=C3)Cl.[Br-] Br- 1 5.367 1 0 7.18819130044607 2843210 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCCN2C=CN=C2)C 1 2.003 3 2 -2.26136054343843 2843201 CC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-] 1 3.876 3 4 0 -12.2961053723981 2843192 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OC 1 2.164 1 4 -15.4177412906372 2843129 CC(=O)OCC1=CC(=O)N(C(=O)N1C)C 1 -0.596 2 4 0 -10.6054363058629 2843130 C1CN2CCC1C(C2)OC(=O)NC34CC5CC(C3)CC(C5)C4.Cl Cl- 1 2.696 2 2 -3.35202667562985 2843138 CC1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.01 2 4 -18.1628295321389 2843154 CC1=CC=C(C=C1)N2C(=O)C3C(N4C5C(C(N4C3C2=O)C6=CC=CS6)C(=O)N(C5=O)C7=CC=C(C=C7)C)C8=CC=CS8 1 4.374 4 4 0 -2.51176304573459 2843181 CC(C)CN1C=NC2=C1C3=CC=CC=C3OC2=O 1 2.955 2 2 -5.67925969132642 2843177 C=CCOCC(CS(=O)(=O)CC1=CC=C(C=C1)Cl)O 1 2.002 0 4 -7.39758893888196 2843174 CCC(C)SC1=NC(=O)C=C(N1CC=C)O 1 2.966 2 2 -12.575689378656 2843164 COC1=CC=C(C=C1)C(=O)N2CC(CC2=O)C3=CC=C(C=C3)Cl 1 3.283 1 3 -3.05079397077266 2843161 C1CC(OC1)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.834 2 3 -3.42180980642602 2843112 COC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.499 2 4 -11.7231607057368 2843110 CC(C)OCC(CS(=O)CC1=CC=CC=C1)O 1 1.351 0 3 0 -0.626326606363484 2843107 C1=CC=C(C=C1)COCC(CS(=O)(=O)CC2=CC=C(C=C2)Cl)O 1 2.969 0 4 -4.97477378348518 2843055 C1C(N(N=C1C2=CC=CS2)C3=C(C=C(C=C3)F)F)C4=CC=CO4 1 4.834 2 1 -3.43563163940164 2843063 COC(=O)N1CC(CC1=O)C2=CC=CC=C2 1 1.613 1 3 0 -3.85020843266261 2843064 C1=CC=C(C(=C1)C(=O)NCCCN2C=CN=C2)Br 1 1.59 3 1 0 -5.53818226961921 2843097 CC1CC(CN(C1)C(=O)CC2=CC=C(C=C2)OC)C 1 2.818 1 2 -10.138325858365 2843095 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N)Br 1 1.614 2 3 0 -15.8544275589763 2843089 C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.[Br-] Br- 1 4.702 1 0 4.38296470806725 2843050 C1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)NCCO)C(F)(F)F.Cl Cl- 1 2.214 3 2 0.203268614934554 2843045 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)OC 1 2.225 1 3 -11.3686020574089 2843040 C1C(OC2=CC=CC=C2O1)C(=NO)N.Cl Cl- 1 0.672 2 3 0 0.531931644908795 2843021 C1CSC(=O)C1NC(=O)C2=CC=CC=C2 1 1.319 1 2 0 -13.314218121518 2843020 CC(C)(C)C1=CC=C(C=C1)OCC(CS(=O)(=O)C2=CC=CC=N2)O 1 3.266 1 4 -3.33712343236088 2842992 CC12CC3CC(C1)(CC(C3)(C2)C(=O)N4CCN(CC4)C)C.Cl Cl- 1 2.504 2 1 0.408973425766117 2842991 CC1CC(=NOC(=O)C2=CC(=CC=C2)C)C(CN1C)C.Cl Cl- 1 2.965 2 2 -1.18697667240891 2842988 CCCCS(=O)CC(COCC)O 1 0.719 0 3 0 -3.9843089113508 2842984 C1C2CC3CC1CC(C2)C3(CNCC4=CC=CC=C4)O.Cl Cl- 1 2.941 1 1 2.23060653260094 2842980 CC(CC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.915 1 2 -1.9037890476619 2842959 C1COCCN1C2=C(C=CC=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F.Cl Cl- 1 2.795 3 2 -0.623983188746782 2842957 C1C2CC3CC1CC(C2)(C3)C4=NC5=CC=CC=C5C(=C4)C(=O)NN 1 3.364 3 1 3.57214092073225 2842953 CCOCC(CSCC1=CC=C(C=C1)Cl)O 1 2.75 0 2 -6.50753197021564 2842940 CC(CCC(=O)O)C1=CC=C(C=C1)C(=O)C 1 2.398 0 3 -7.02594658444443 2842933 CCN1C(=O)C2=C3C(=C(C=C2)Cl)C=CC=C3C1=O 1 2.784 1 2 2.8238923992767 2842931 C1C(N(N=C1C2=CC=CS2)C3=CC=C(C=C3)Cl)C4=CC=CO4 1 5.087 2 1 -3.83820892056019 2842919 C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O 1 2.614 1 4 -16.1872085163215 2842914 CC1CN(CC(O1)C)CC2=CC(=CC(=C2)OC)OC 1 2.313 1 3 -5.12963642796277 2842888 C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)NCCCN2C=CN=C2 1 2.575 3 2 -8.86021432964151 2842883 CC1=CC=CC=C1C(=O)NCCCN2C=CN=C2 1 1.328 3 1 0 -8.84639147145053 2842876 CC12CC3CC(C1)CC(C3)(C2)NC(=O)SC 1 2.924 1 1 -3.36060338560607 2842874 C1CC(CN(C1)CC2=CC=C(C=C2)C3=CC=CC=C3)CO 1 3.438 1 1 9.4093652961068 2842873 CCSC(=O)NC12CC3CC(C1)CC(C3)C2 1 3.067 1 1 -5.4235029293622 2842866 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.764 1 3 0 -6.92752158669857 2842864 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 1.745 1 4 0 -18.9617971918397 2842827 CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.136 2 4 -13.050033635622 2842825 CCC(C)N1C=NC2=C1C3=CC=CC=C3OC2=O 1 3.013 2 2 -4.65237731232496 2842815 CC(C)OCC(CS(=O)(=O)CC1=CC=CC=C1)O 1 1.447 0 4 0 -7.48156207609184 2842811 C1=CC(=CC=C1COCC(CS(=O)CC2=CC=C(C=C2)Cl)O)Cl 1 3.537 0 3 1.58743022419493 2842800 CC1CCCN(C1)C(=O)CC2=CC=C(C=C2)OC 1 2.498 1 2 -8.98613368415574 2842787 CC1=C(C=C(C=C1)C(=O)NCC2CCCO2)[N+](=O)[O-] 1 1.777 2 4 0 -15.2029634623344 2842765 C1=CC=C2C(=C1)N(C(=S)S2)CCC=NO 1 3.442 2 1 1.45272644240442 2842764 CC(=O)NC1=CC2CC(C1)CC(=C)C2 1 1.626 1 1 0 -4.9706771176737 2842763 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=C3C4CC5CC(C4)CC3C5 1 3.562 3 1 -2.71225452210196 2842756 CCOC(=O)C1C(CN(C1=O)C(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3 1 2.799 1 5 -9.23116588641825 2842752 CCOCC(CS(=O)(=O)C1=CC=CC=N1)O 1 0.451 1 4 0 -9.14697168345606 2842749 CCC(C)C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2 1 3.114 2 1 -6.13785482541253 2842741 C1CC(OC1)CNS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.428 1 3 -7.30968461325575 2842739 C1=CC=C(C=C1)OCC(CSC2=NC=NN2)O 1 1.795 3 2 0 -9.21043608445525 2842737 CC1=CC=C(C=C1)C(=O)NC2CCSC2=O 1 1.805 1 2 0 -12.5185705540086 2842731 CC1CC(=NOC2=CC=CC=C2[N+](=O)[O-])C(CN1C)C.Cl Cl- 1 2.688 3 3 -3.6520262478425 2842724 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)[N+](=O)[O-] 1 1.284 3 4 0 -14.5500516264693 2842722 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.075 2 3 -10.2199726544122 2842706 CC1=CC(=C(C=C1CN2CCCCC2CO)C)OC 1 3.266 1 2 2.86229195750337 2842704 C1=CC=NC(=C1)S(=O)CC(COCC2=CC=C(C=C2)Cl)O 1 2.254 1 3 1.12177029919556 2842700 COC1=CC=C(C=C1)C(=O)NC2CCSC2=O 1 1.303 1 3 0 -12.9315367631527 2842699 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-] 1 1.788 2 4 0 -14.768716668653 2842691 CC(=O)NC12CC3CC(C1)(CC(C3)(C2)NC(=O)C)C 1 0.114 2 2 0 -6.05073790087261 2842666 CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC=CS2 1 4.218 1 1 -4.78264363956265 2842664 C1=CC(=CC=C1C(=O)NCCCN2C=CN=C2)Cl 1 1.506 3 1 0 -3.86519724929207 2842645 COC1=CC=C(C=C1)C2C(=C(OC3=C2C(=CC=C3)O)N)C#N 1 2.603 2 3 -3.5697905453428 2842642 CC1=C(C=C(C=C1)S(=O)(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-] 1 3.082 2 4 -11.4423249545262 2842640 C1CC(=O)N(C1C2=CC=CC=C2)C(=O)C3=CN=CC=C3 1 1.745 2 2 0 -10.3240924072412 2842639 CC1=C(C=C(C=C1)S(=O)(=O)NCC2CCCO2)[N+](=O)[O-] 1 1.48 2 5 0 -11.9117738112285 2842628 CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 2.496 2 4 -17.8446734361861 2842627 CCC1=C(N(C(=NC1=O)SCC=C)C(C)CC)O 1 3.869 2 2 -10.37386842653 2842590 CCC(C)SC1=NC(=CC(=O)N1)O 1 2.143 2 2 -10.8689819418543 2842585 C1=CC=C2C(=C1)[N+](=CS2)CC3=CC(=CC=C3)F.[Br-] Br- 1 4.908 1 0 5.8711052898831 2842572 CC12CC3CC(C1)(CC(C3)(C2)N)C.[N+](=O)(O)[O-] NO3 1 1.907 1 0 0 3.76272209148086e-002 2842566 C1=CC=C(C=C1)C(=O)NN2C(=O)C3C4C=CC(C3C2=O)O4 1 0.1 2 4 0 1.29814546247029 2842565 CCCSC1=NC(=O)C(=C(N1C(C)CC)O)CC 1 4.124 2 2 -9.8140958221369 2842563 C1C(N(N=C1C2=CC=CS2)C3=CC=CC=C3)C4=CC=CO4 1 4.423 2 1 -6.01890503281402 2842562 C1C2CC3CC1CC(C2)C3=CC(=O)O 1 2.602 0 2 0.36603080545618 2842561 C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.994 2 5 0 -10.8439180646426 2842558 C1CC(OC1)CNC(=O)C2=CC=CC=C2 1 1.396 1 2 0 -12.2639712758765 2842541 CCOC(=O)C(C(C1=CC=CC=C1)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.343 3 7 0 -25.5610420108033 2842536 CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C 1 3.167 1 2 -12.8932288477106 2842535 C1C(C(=NN1C2=CC=CC=C2F)C3=CC=CS3)C4=CC=CC=C4 1 5.222 2 0 -0.988546948911793 2842531 C1CC(OC1)CNC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 0.811 2 5 0 -11.1426031839892 2842530 COC1=CC=CC=C1C2CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 5.001 2 1 -3.52142477571069 2842524 C1=CC=C2C(=C1)[N+](=CS2)CC3=CC=C(C=C3)F.[Br-] Br- 1 4.908 1 0 6.0780696353245 2842484 CC(C12CC3CC(C1)CC(C3)C2)NCC(C4=CC=C(C=C4)[N+](=O)[O-])O 1 3.603 2 3 -1.49402241012741 2842480 C1CCN(CC1)C(=O)C2CC3=CC=CC=C3O2 1 2.206 1 2 -6.79043731572039 2842475 CC1C2=C(CCN1CCC(=O)NN)C3=C(N2)C=C(C=C3)OC 1 1.427 4 2 0 -8.77602138483117 2842472 CC1C(=O)CCC1(C2=CC=CC=C2)C(=O)O 1 1.954 0 3 0 -3.26712892899977 2842471 CC1(CC2=CC=CC=C2C(=C1C#N)N)C 1 1.998 2 0 0 -3.56414332274002 2842456 C1CN=C(C2=CC=CC=C21)C(CCC#N)CCC#N 1 2.801 3 0 -4.81563315126852 2842454 CC1C(NC(C(C1=O)C)C2=CC=C(C=C2)O)C3=CC=C(C=C3)O 1 3.213 1 3 0.941412952355684 2842451 C1CN=C(N1)SCC(=O)C2COC3=CC=CC=C3O2 1 1.673 2 3 0 -9.3827485890698 2842450 CCOC1=CC=C(C=C1)C2=CSC(=N2)C3COC4=CC=CC=C4O3 1 4.262 1 3 5.06729978576594 2842448 C1CCN(CC1)CCC(=O)NCC2C3=CC=CC=C3CCO2 1 2.101 2 2 -14.6057628688582 2842440 CCCCOC(=O)C1=CC=C(C=C1)NC2=NC=C(C=C2)[N+](=O)[O-] 1 3.209 3 4 0 -7.55355855035674 2842439 CCOC(=O)C1=CC=C(C=C1)NC2=NC=C(C=C2)[N+](=O)[O-] 1 2.229 3 4 0 -6.2137112533813 2842437 C1=CC(=CC=C1NC2=NC=C(C=C2)[N+](=O)[O-])Cl 1 2.69 3 2 0.93792058736886 2842434 COC1=CC=CC=C1NC2=C(C=CC=N2)[N+](=O)[O-] 1 2.646 3 3 -3.04350311310915 2842433 C1=CC(=C(N=C1)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 1.368 4 4 0 -6.55881477697881 2842429 C1=CC=C(C=C1)NC2=CC(=CN=C2[N+](=O)[O-])Br 1 3.411 3 2 0.397065078667012 2842427 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 0.276 3 5 0 -21.5610721119995 2842426 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.05 3 6 0 -19.4923680265561 2842418 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 0.798 3 4 0 -14.5524204313215 2842402 CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C 1 2.669 1 2 -13.3580251431491 2842396 CC1CCCN(C1)S(=O)(=O)C2=CC=CC3=NON=C32 1 1.753 3 3 0 -11.1529540968277 2842395 CC1CCCCN1S(=O)(=O)C2=CC=CC3=NON=C32 1 1.811 3 3 0 -9.20719715128351 2842392 C1CCCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NCCO 1 2.423 4 5 0 -1.09934306684124 2842375 C1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCO 1 1.642 5 4 0 3.26702393508437 2842374 C1CCCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCO 1 2.099 5 4 0 3.26702393508437 2842349 CC1(C(=NC(N1O)C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3)C 1 3.606 2 3 0.726616356818946 2842308 CC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)NN=CC4=CN=CC=C4 1 4.783 5 0 3.02790441259451 2842296 COC1=CC(=C(C=C1)C=NNC2=C(C=CC=N2)[N+](=O)[O-])OC 1 2.698 4 4 0 -1.06797435634496 2842286 CCC1CCCCN1C(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Cl)C 1 2.807 4 3 0 -12.2719613108287 2842282 C1CCN(CC1)C(=O)C2=NN3C=C(C=NC3=C2)Br 1 1.611 4 1 0 -6.776043858126 2842253 C1COCCN1C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.228 4 1 4.23692817277037 2842240 CC1=CC=CC=C1NC2=C(C=CC3=NC4(CCCCC4)N=C32)[N+](=O)[O-] 1 3.835 4 2 -0.232286235727935 2842236 CC1=C([N+](=O)C2CCCCC2N1[O-])C 1 0.701 2 2 0 -1.18172054670616 2842230 C1CCC2C(C1)N(C(=C[N+]2=O)C3=CC=CC=C3)[O-] 1 1.422 2 2 0 2.02940212649526 2842227 C1CCC2C(C1)N(C(N2O)C3=CC=CC=C3)O 1 2.302 2 2 -0.105760373261999 2842221 CC1(CCCCC1=O)N(C=C2C=CC(=O)C=C2)O 1 1.382 1 3 0 -0.766999476964341 2842220 CC12CCCCC1N(C(=O)C(=O)N2O)O 1 0.207 2 4 0 -0.872802036406018 2842217 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC=CC=C2Cl)C.Cl Cl- 1 2.442 2 1 -12.1398152475277 2842210 CCOC(=O)C(C#N)C1=CC=CC=N1 1 1.202 2 2 0 -7.30121289844478 2842209 CC(=O)C1C(CC(=CC1=O)C2=CC=CS2)C3=CC=CC=C3 1 3.713 0 2 -7.23390078347184 2842200 CC1=NC(=NC(=C1)C2=CC=CC=C2)NN=CC3=C(C=C(C=C3)OC)OC 1 3.75 4 2 8.86995603160967e-003 2842193 CC1=NC(=NC(=C1)C2=CC=CC=C2)NN=CC3=CC=CC=C3F 1 3.988 4 0 0.755839704860082 2842192 CC1=NC(=NC(=C1)C2=CC=CC=C2)NN=CC3=CC=CO3 1 3.178 4 1 -0.793009198122308 2842189 CC1=NC(=NC(=C1)C2=CC=CC=C2)NN=C(C)C3=CC(=CC=C3)N 1 3.017 5 0 -0.748271032151755 2842188 CC1=NC(=NC(=C1)C2=CC=CC=C2)NN=C(C)C3=CC=C(C=C3)F 1 3.969 4 0 -0.524535401783001 2842186 CC1=NC(=NC(=C1)C2=CC=CC=C2)NN=C(C)C3=CC=CC=C3 1 3.763 4 0 -2.32509145680584 2842183 CC1=NC(=NC(=C1)C2=CC=CC=C2)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.677 5 2 0 -2.85662814650204 2842181 CC1=NC(=NC(=C1)C2=CC=CC=C2)NN=C(C)C3=CC=C(C=C3)OC 1 3.747 4 1 -1.64937863639239 2842177 C1=CC(=CC(=C1)F)C=NNC2=NC=CN=C2Cl 1 2.128 4 0 3.71157719873784 2842176 CC(=NNC1=NC=CN=C1Cl)C2=CC(=C(C=C2)Cl)Cl 1 3.232 4 0 9.12192710820734e-002 2842174 CC(=NNC1=NC=CN=C1Cl)C2=CC=C(C=C2)Br 1 2.652 4 0 -1.04529853388792 2842173 CC(=NNC1=NC=CN=C1Cl)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.797 5 2 0 -3.91648532964425 2842163 C1=CC=C(C(=C1)C=NNC2=NC=CN=C2Cl)[N+](=O)[O-] 1 1.817 5 2 0 -0.399774648091253 2842161 C1=CC(=CC=C1C=NNC2=NC=CN=C2Cl)F 1 2.128 4 0 2.12726740561407 2842160 CC(=NNC1=NC=CN=C1Cl)C2=CC=C(C=C2)F 1 2.109 4 0 -0.698760453908047 2842158 C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC2=NC=CN=C2Cl 1 1.817 5 2 0 -1.33715134003489 2842152 COC1=CC=CC=C1C=NNC2=NC=CN=C2Cl 1 1.906 4 1 0 1.37741976749876 2842150 C1=CC(=CC=C1C=NNC2=NC=CN=C2Cl)Br 1 2.671 4 0 1.7807293256342 2842148 COC1=CC=C(C=C1)C=NNC2=NC=CN=C2Cl 1 1.906 4 1 0 1.00242417100468 2842144 CC1=CN(N=C1)C2=CC(=NC=N2)NN=CC3=CC(=CC=C3)F 1 3.029 6 0 4.92203682466569 2842140 CC1=CN(N=C1)C2=CC(=NC=N2)NN=CC3=CC=CC=C3F 1 3.029 6 0 4.04072090840189 2842138 CC1=CN(N=C1)C2=CC(=NC=N2)NN=CC3=CC=CC=C3 1 2.823 6 0 2.59374409321396 2842134 CC1=CN(N=C1)C2=CC(=NC=N2)NN=CC3=CC=C(C=C3)F 1 3.029 6 0 3.47756493576357 2842126 CC(=NNC1=NC(=CC(=N1)Cl)N)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.094 6 2 0 -7.40587311530934 2842125 C1=CC=C(C(=C1)C=NNC2=NC(=CC(=N2)Cl)N)[N+](=O)[O-] 1 2.114 6 2 0 -5.39657421234116 2842124 CC(=NNC1=NC(=CC(=N1)Cl)N)C2=CC=C(C=C2)F 1 2.405 5 0 -3.755164289653 2842122 C1=CC(=CC=C1C=NNC2=NC(=CC(=N2)Cl)N)[N+](=O)[O-] 1 2.114 6 2 0 -6.08725703437204 2842091 CN(C)C1=CC=C(C=C1)C=NNC2=CC(=NC=N2)OC 1 2.894 5 1 -4.72462551130878 2842087 COC1=CC=C(C=C1)C=NNC2=CC(=NC=N2)OC 1 2.715 4 2 -2.30753249293082 2842075 CC(=NNC1=NC(=NC(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)Br)C4=CC(=CC=C4)N 1 5.121 5 0 7.86845319208906 2842066 C1CCN(CC1)C2=CC(=NC=N2)NN=CC3=CC=CO3 1 2.585 5 1 2.64923020857912 2842065 COC1=CC(=C(C=C1)C=NNC2=NC=NC(=C2)N3CCOCC3)OC 1 1.928 5 3 0 1.76462901349548 2842019 CC1=NC(=CC(=N1)Cl)NN=C(C)C2=CC(=C(C=C2)Cl)Cl 1 4.347 4 0 -1.42360231287561 2842015 CCC1=CC=C(C=C1)C(=NNC2=CC(=NC(=N2)C)Cl)C 1 3.961 4 0 -3.02505929488842 2842012 CC1=NC(=CC(=N1)Cl)NN=CC2=CC=CC=C2 1 3.038 4 0 -0.436974410715703 2842006 CC1=CC=C(C=C1)C(=NNC2=CC(=NC(=N2)C)Cl)C 1 3.505 4 0 -2.97391775344314 2842005 CC1=NC(=CC(=N1)Cl)NN=C(C)C2=CC=CC=C2 1 3.018 4 0 -3.58126872661869 2841993 COC1=CC(=C(C=C1)C=NNC2=NC=C(C=N2)Br)OC 1 2.269 4 2 -2.24323092447472 2841992 CC(=NNC1=NC=C(C=N1)Br)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.177 5 2 0 -6.42734510794567 2841985 C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC2=NC=C(C=N2)Br 1 2.196 5 2 0 -5.49526080114278 2841984 C1=CC(=CC=C1C=NNC2=NC=C(C=N2)Br)[N+](=O)[O-] 1 2.196 5 2 0 -5.24856693123001 2841952 CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2C3C2CCCC3 1 1.129 3 3 0 -9.29518671581228 2841950 COC1=C(C=C(C=C1)C(=O)NCCCCNC(=O)C2=CC(=C(C=C2)OC)OC)OC 1 2.471 2 6 0 -13.7773010398953 2841940 C1=CC=C2C(=C1)C=CC=C2C(=O)ON=C(C3=CC(=CC=C3)[N+](=O)[O-])N 1 3.189 3 4 0 0.656196401592544 2841939 CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC=C2OC)OC 1 2.966 1 3 -8.90617311798225 2841936 C1=CC=C(C(=C1)C(=O)ON=C(C2=CC(=CC=C2)[N+](=O)[O-])N)Br 1 3.029 3 4 0 -0.652212646984575 2841927 CC1=CC=CC=C1C(=O)ON=C(C2=CC(=CC=C2)[N+](=O)[O-])N 1 2.767 3 4 0 -2.86528572105588 2841922 C1CCC(C(C1)C(=O)NCCC2=CC=CC=C2)C(=O)O 1 2.589 1 3 -8.71430840065495 2841920 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.822 2 3 0 -13.01804844955 2841910 C1=CC(=CC(=C1)[N+](=O)[O-])C(=NOC(=O)C2=CC(=CC=C2)F)N 1 2.486 3 4 0 -1.33461633818138 2841896 COC1=CC(=C(C=C1)C(=O)ON=C(C2=CC=CC=C2)N)OC 1 2.354 2 4 3.47315599066812 2841891 CC(=NNC(=O)C1CC1C2=CC=CC=C2)C3=CC=CS3 1 2.994 2 1 -8.3407487730739 2841867 CC1=CC(=NC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3 1 3.38 2 1 -1.70456750182602 2841866 CC(C1=CC=CC=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.528 1 1 -10.5348091670319 2841863 C1=CC(=CC(=C1)[N+](=O)[O-])C(=NOC(=O)C2=CC=C(C=C2)Br)N 1 3.029 3 4 0 -0.886331503833208 2841856 C1COCCN1C(=O)C2=CC=CC=C2C(=O)C3=NC=CN3 1 0.629 3 3 0 -10.0684484314566 2841851 C1CN(CCN1CC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.965 3 4 0 -2.12906078673425 2841850 C1CCCN(CC1)CC(COC2=CC=CC=C2)O 1 2.814 1 2 -3.13052918037896 2841847 CC(=NNC(=S)N)CC(=O)NC1=C(C=C(C=C1)Cl)Cl 1 2.4 4 1 -4.23248085731261 2841846 COC1=CC(=CC(=C1OC)OC)C(=O)NCCCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.858 2 8 0 -12.0795387660883 2841844 C1=CC(=CC(=C1)[N+](=O)[O-])C(=NOC(=O)C2=CC=C(C=C2)F)N 1 2.486 3 4 0 -0.539793423853337 2841835 C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)ON=C(C3=CC(=CC=C3)[N+](=O)[O-])N 1 3.834 3 4 0 0.347229215187191 2841827 CC1=CC=CC(=C1)C(=O)ON=C(C2=CC(=CC=C2)[N+](=O)[O-])N 1 2.767 3 4 0 -1.98129857721275 2841824 C1=CC=C2C=C(C=CC2=C1)C(=O)ON=C(C3=CC(=CC=C3)[N+](=O)[O-])N 1 3.189 3 4 0 0.425510277658082 2841812 C1CCC(C(C1)C(=O)NCC2=CC=CC=C2)C(=O)O 1 2.268 1 3 -8.45705512495617 2841802 C1=CC(=CC(=C1)[N+](=O)[O-])C(=NOC(=O)C2=CC=CO2)N 1 1.676 3 5 0 -1.0009760836435 2841783 C1CCC(CC1)C(=O)ON=C(C2=CC(=CC=C2)[N+](=O)[O-])N 1 2.743 3 4 0 -2.81188787112307 2841781 C1=CC=C(C=C1)C(=NOC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])N 1 2.945 3 4 0 -1.13188087879088 2841774 CC1=CC=C(C=C1)C(=O)ON=C(C2=CC(=CC=C2)[N+](=O)[O-])N 1 2.767 3 4 0 -1.25167044931859 2841771 C1=CC=C(C(=C1)C(=O)ON=C(C2=CC(=CC=C2)[N+](=O)[O-])N)Cl 1 2.945 3 4 0 -0.812424130555834 2841755 C1CCN(CC1)CC(COC2=CC=C(C=C2)OCC(CN3CCCCC3)O)O 1 2.887 2 4 -3.4686141106277 2841750 C1=CC(=CC=C1C(=O)NCCCNC(=O)C2=CC=C(C=C2)F)F 1 2.368 2 2 -7.39945289106118 2841738 COC1=CC=CC=C1CNC(=O)C23CC4CC(C2)CC(C4)C3 1 3.496 1 2 -8.2276214084358 2841729 COC(=O)C(CCSC)NC(=O)C12CC3CC(C1)CC(C3)C2 1 2.447 1 3 -17.4689282639828 2841721 COC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-] 1 1.451 2 5 0 -23.3277973188682 2841719 CC1=CC=CC=C1C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3 1 3.249 2 2 -9.45491037981176 2841717 C1=CC=C(C(=C1)C(=O)ON=C(C2=CC(=CC=C2)[N+](=O)[O-])N)F 1 2.486 3 4 0 -1.42383266185885 2841713 CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br 1 3.45 1 2 -7.91473247509768 2841708 CCCCCC(=O)NN=C(C)C1=CC=C(C=C1)Cl 1 3.699 2 1 -9.03126644562917 2841693 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)C(=O)OC)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.641 4 4 0 -15.9278782211467 2841691 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=CC=C3)O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.544 4 3 0 -11.2374331986247 2841687 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC4=C(C=C3Br)OCO4)C5=C(N(N(C5=O)C6=CC=CC=C6)C)C 1 4.302 4 4 0 -10.6631571399893 2841674 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.544 4 3 0 -10.0556011030293 2841673 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(C(=CC=C3)[N+](=O)[O-])O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.438 5 5 0 -11.0171816301454 2841660 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.769 4 3 0 -12.3484414233125 2841659 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CC=C3O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.544 4 3 0 -9.19724072500085 2841649 CC(=NNC(=O)CC1=CC=CC=C1)C2=CC=C(S2)Br 1 3.22 2 1 -6.60571501066595 2841644 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5N4)C(=O)C1)C 1 3.653 4 1 -24.4130955794019 2841634 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CS4)C(=O)C1)C 1 3.685 2 1 -26.4683446832811 2841632 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)O)C(=O)C1)C 1 3.579 2 3 -22.9393679838826 2841629 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C 1 3.805 2 3 -29.0941758124613 2841626 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)OC)C(=O)C1)C 1 3.822 2 2 -25.7264187099561 2841621 CCOC(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)Cl 1 4.521 0 4 -0.980087802588525 2841620 CCOC(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)C 1 4.343 0 4 -2.80208649317534 2841616 CC1(CC(=O)C(=CNCCCN2C=CN=C2)C(=O)C1)C 1 -2.7e-002 3 2 0 -10.489014004214 2841612 C1=CC=C2C(=C1)C(=O)C(=CNCCCN3C=CN=C3)C2=O 1 0.527 3 2 0 -2.8679346681832 2841610 C1CC(OC1)CNC=C2C(=O)C3=CC=CC=C3C2=O 1 1.081 1 3 0 -7.97483638540555 2841607 CC(=NNC(=O)C1=CC=C(C=C1)F)C2=CC=CC=N2 1 2.147 3 1 -5.0246954745028 2841597 CCCCCC(=O)NN=C(C)C1=CC=CC=N1 1 2.313 3 1 -9.45776734048053 2841595 CCCCN1C2C(N(C1=O)C)N(C(=O)N2C)CCCC 1 2.075 4 2 -6.548718900291 2841589 CC1=CC=C(C=C1)NC(=O)NC2C(N(C(=O)N2C)C)NC(=O)NC3=CC=C(C=C3)C 1 2.501 6 3 0 -7.35885941971775 2841583 CC1(CC(=O)C(=CNCC2CCCO2)C(=O)C1)C 1 0.528 1 3 0 -15.5959157214363 2841581 CC(C)(C1=NOC(C1)C2=CC=CC=C2)O 1 1.672 1 2 0 0.507228064094304 2841567 CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CCC(C)S(=O)(=O)[O-] 1 1.119 1 3 0 -5.9552498771208 2841565 CC1=CC2=C(C=C1)SC(=[N+]2CCC(C)S(=O)(=O)[O-])C 1 0.697 1 3 0 -4.18372399721853 2841563 CC(C)C1C(=O)C2=C(O1)C=C3C(=C2)C=CC(=O)O3 1 2.636 0 4 -2.734551152335 2841562 CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)Cl 1 3.234 0 3 -3.65251407470712 2841560 CC(C)CC(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C 1 3.331 0 7 0 -12.1881112715187 2841559 CC1(CC(=CC(=O)C1)NCC2=CC=CS2)C 1 2.172 1 1 -16.358628310629 2841549 CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Br 1 3.747 1 1 -8.85128335505517 2841540 CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)C1)C 1 3.606 2 3 -26.7314776753454 2841538 CC1=CC(=CC=C1)CC2C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)CC=C 1 4.861 2 3 -8.69561941137037 2841537 CC(=NNC1=NC(=O)C(S1)CC2=CC=CC=C2)C 1 2.297 3 1 -6.92526593154837 2841532 CC1=CC=C(C=C1)CC2C(=O)N=C(S2)N 1 2.626 2 1 -3.8437584086632 2841517 CC1=CC=CC=C1CC2C(=O)N=C(S2)N 1 2.626 2 1 -4.79326297342453 2841514 COC1=CC=C(C=C1)CC2C(=O)N=C(S2)N 1 2.123 2 2 -4.25672461780734 2841483 CC1=C([N+](=CC=C1)CC(=O)C2=CC=C(C=C2)Br)C.[Br-] Br- 1 4.07 1 1 -3.30667711364414 2841482 CC1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C.[Br-] Br- 1 4.447 2 2 -6.4466639095692 2841461 C1C2CC3CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-] 1 2.354 4 2 -0.743755700550055 2841450 CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)Cl)C#N 1 2.765 2 3 -20.1204139351048 2841440 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC4=CC=CC=C4C=C3.[Br-] Br- 1 4.383 2 2 -0.31652186849474 2841438 C1=CC=C(C=C1)COC2=CC=CC=C2C=NNC3=CC=C(C=C3)[N+](=O)[O-] 1 4.91 3 3 -0.100895478468424 2841424 CCCC(=O)NC(C1=CC=CC=C1)C2=C(C=CC3=CC=CC=C32)O 1 4.358 1 2 -12.7287963391789 2841408 CC1=[N+](C2=C(N1CC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-])CC4=CC=CC=C4.[Cl-] Cl- 1 5.31 3 2 0.266006457264929 2841407 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=CC3=CC=CC=C32 1 4.892 1 3 -5.20657977152202 2841357 CC1=[N+](C2=CC=CC=C2N1CC3=CC=CC=C3)CC4=CC=CC=C4.[Cl-] Cl- 1 5.415 2 0 0.730886866731243 2841363 COC1=C(C=C2C(N(CCC2=C1)C3CC(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5O)OC 1 4.011 2 5 0 -3.53464587730043 2841381 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O 1 2.048 1 6 0 -17.5235246480303 2841377 C1=CC(=CC=C1C=NN=C(C2=NON=C2N)N)[N+](=O)[O-] 1 0.657 7 3 0 -5.64438066288861 2841371 CCOC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC=CC=C2.[Br-] Br- 1 2.894 1 3 -3.65252871460562 2841339 CC1=CC=[N+](C2=CC=CC=C12)CC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4.[Br-] Br- 1 5.161 2 2 -5.38901341383264 2841332 C1CN(CCN1CC2=CC=CC=C2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O 1 4.697 3 1 6.73835537327507 2841329 CCOC1=CC=CC=C1C=NNC2=CC=CC=C2[N+](=O)[O-] 1 3.675 3 3 -2.20882293877671 2841319 C1C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)NNC3=CC=CC=C3 1 2.672 3 2 0.18038735570992 2841302 CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=CO3 1 2.082 1 4 -3.16339642721281 2841299 CC1=C(C(=CC=C1)OCCCCCN2C=CN=C2)C 1 3.626 2 1 5.74490640240891 2841298 CCCC(=NNC(=O)C1=CC(=CC=C1)Cl)C2=CC=CC=C2 1 4.451 2 1 -6.54474722049573 2841274 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=C(C=C2)Cl 1 4.648 1 3 -5.41088514230732 2841264 COC1=CC=C(C=C1)C2CNC(=O)C2C(=O)OC 1 0.795 1 4 0 -8.56757833598372 2841262 CCN(CC)C1CC(=O)N(C1=O)C2=CC=C(C=C2)Br 1 2.462 2 2 -1.65373668135402 2841258 CC1=CC=[N+](C2=CC=CC=C12)CC(=O)C3=CC=CC=C3.[Br-] Br- 1 4.376 1 1 -1.2017997052311 2841257 CC1=CC(=CC=C1)OCCCN2C=CN=C2 1 2.103 2 1 3.36464046226748 2841243 CCCC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C#N)C(=O)OCC 1 1.618 3 4 0 -12.3643524054063 2841235 CCCCCOC(=O)NCC(C1=CC=CC=C1)O 1 2.874 1 3 -6.91346567125999 2841219 C1C(C(=C(NC1=O)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CO3 1 1.866 3 3 0 -23.5261793272659 2841204 CC1=CC=C(C=C1)C2CNC(=O)C2C(=O)OC 1 1.298 1 3 0 -8.32338497574902 2841196 C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=CO3 1 2.813 2 2 -18.1209626622695 2841186 CCC1C(NC(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.691 1 1 0.259402160367975 2841183 C1=CC=C(C=C1)OCCCN2C=CN=C2 1 1.617 2 1 0 1.78456366115988 2841181 CCCC1CCC(=CC1=O)C2=CC=C(C=C2)OCC 1 4.477 0 2 -3.63488699420046 2841175 C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.416 2 1 -7.54191926429131 2841174 CCOC(=O)CSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=CC=C2Cl)C#N 1 2.597 2 5 0 -26.7550366539087 2841167 C1C2CC3CC1CC(C2)(C3)N4N=C(N=N4)C5=CC=CC=C5 1 3.648 4 0 3.29107598213548 2841163 C1CCN(CC1)C2=C(C(=C(C=C2)[N+](=O)[O-])N3CCCCC3)Cl 1 4.547 3 2 0.123193520520017 2841145 CC1=C(C(C(=C(N1)SC)C#N)C2=CC=CC=C2Cl)C(=O)C 1 3.144 2 1 -22.4883697543023 2841126 CC1=CC(=C(C=C1)C(=O)CSC2=C(C(CC(=O)N2)C3=CC=CO3)C#N)C 1 3.458 2 3 -16.0103727183377 2841109 CC(C)C1C(NC(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.943 1 1 0.98527622857177 2841107 CC1=CC2=C(C=C1)[NH+]=C(C=C(N2)C)C.[Cl-] Cl- 1 2.272 2 0 -3.49498592997744 2841093 C1=CC(=CC=C1C(=O)C[N+]2=CNC=C2)Cl.[Cl-] Cl- 1 2.98 2 1 1.11634325175904 2841077 CC1=C2C(=NON2[O-])C(=[N+]([N+]1=O)[O-])C 1 -3.713 4 4 0 -1.45163361680188 2841060 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC(=CC=C2)Cl 1 4.648 1 3 -4.73722130070807 2841053 C1CC[NH+](CC1)CCC(=O)C2=CC=CC=C2.[Cl-] Cl- 1 1.18 1 1 0 -2.9986205961148 2841039 CC1=C[N+](=CC=C1)CC(=O)C2=CC=C(C=C2)Br.[Br-] Br- 1 3.925 1 1 0.133643263980665 2841038 CC1C(=C(OC2=C1C(=O)CC(C2)(C)C)N)C#N 1 1.278 2 2 0 -15.6722388194811 2841036 C1C2CC3CC1CC(C2)(C3)N4N=CN=N4 1 2.028 4 0 -0.174671713874122 2841026 C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)Br.[Br-] Br- 1 3.438 1 1 -1.05002555759734 2841020 C1C2CC3CC1CC(C2)(C3)N4C=NC(=N4)N 1 1.713 4 0 0 0.964737987279077 2841019 C1C(C(=C(NC1=O)SCC(=O)N)C#N)C2=CC=CC=C2Cl 1 1.563 3 2 0 -19.4771405147732 2841012 CC1=CC(=CC(=C1N)C)C(C2=CC=CO2)C3=CC(=C(C(=C3)C)N)C 1 4.724 2 1 -0.728751614563476 2841010 CC1=CC(=NN1C2CC(=O)N(C2=O)C3=CC(=CC=C3)Cl)C 1 2.268 3 2 -2.81012550725931 2841003 C1=CC=C(C=C1)C(=O)C[N+]2=CC(=CC3=CC=CC=C32)Br.[Br-] Br- 1 4.638 1 1 2.10051484709261e-002 2840997 CCN(CC)C1CC(=O)N(C1=O)C2=CC(=CC=C2)Cl 1 2.378 2 2 1.92722489667653 2840993 CC1=CC(=C[N+](=C1)CC(=O)C2=CC=CC=C2)C.[Br-] Br- 1 3.662 1 1 -2.25945020096766 2840988 CC1=CC=CC=[N+]1CC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3.[Br-] Br- 1 3.62 2 2 -8.14718623215461 2840983 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 5.388 1 4 -8.97942324146668 2840981 C1C(OC(=O)O1)CN2C3=CC=CC=C3C4=CC=CC=C42 1 3.859 1 3 -5.06591386788457 2840978 CCCCCCOC(=O)NCC(C1=CC=CC=C1)O 1 3.33 1 3 -6.97071578879636 2840974 CC1=C(C(=NC(=N1)NC)NC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 1.521 5 3 0 -0.848559042435721 2840973 COC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CCN2C4CC(=O)N(C4=O)C5=CC=CC=C5)OC)OC)OC 1 4.22 2 6 0 -10.6180729423105 2840905 CC1=CC(=NC(=N1)NN=CC2=CC(=CC=C2)[N+](=O)[O-])C 1 2.013 5 2 0 -6.33788445749025 2840884 CC1=C(C(=C(N1C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Br)N=CN(C)C)C#N 1 5.346 4 1 -1.47293205747766 2840871 CCOC(=O)C1=CC2=C(C=C1)NC3=C2CCCC3O 1 2.923 1 3 -5.57334844412449 2840866 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=N4 1 2.698 4 2 7.72365929161603 2840862 CC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4.Br Br- 1 2.977 3 3 -7.82080530865892 2840806 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl 1 3.515 3 2 9.37262875670036 2840784 CCCCC(=O)NC1=C(C2=C(S1)C(=C(CC2)C=O)Cl)C(=O)OCC 1 3.861 1 4 -15.8265216676703 2840767 CC1=C(C=C(C=C1)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C.Br Br- 1 4.237 3 2 -5.36332763614864 2840758 CC1=CC(=NC(=N1)NN=CC2=CC=CC=C2)C 1 2.119 4 0 -3.61744865016925 2840742 CCOCCOCCC(C(=O)O)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 3.167 0 5 -11.5879952695122 2840721 C1C(=O)NC(S1)C2=CC=C(C=C2)Cl 1 2.121 1 1 -5.78322150847601 2840704 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.308 3 5 0 5.15782011116277 2840670 COC1=C(C=C(C=C1)C2NC(=O)C3=CC=CC=C3O2)OC 1 2.59 1 4 -5.49163372394351 2840641 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC(=CC=C5)Cl 1 2.989 3 4 0 9.37724893960119 2840626 CCNC(=NCC)SC1CC(=O)N(C1=O)C2=CC=C(C=C2)F 1 2.434 3 2 -4.25748575598563 2840612 C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)NC=O 1 3.036 2 1 5.86880296816105 2840608 C[N+]1=CC=CC(=C1)C=NNC2=C(C(=C(C(=N2)Cl)C#N)Cl)Cl.[Cl-] Cl- 1 4.523 5 0 -2.08690775540482 2840576 CN1C(=O)CC(C1=O)N2CCN(CC2)C3=NC=CC=N3 1 -0.809 5 2 0 3.72783755872029 2840573 COC(=O)C1=C(C2(C(=O)C3=CC=CC=C3C2=O)OC1C4=CC(=CC=C4)F)C(=O)OC 1 2.779 0 7 0 -7.03158637418274 2840530 CN(C)C1=C(C=C(C=C1)C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-] 1 0.921 4 5 0 -8.95780851740293 2840515 CCOC(=O)C1=CC2=C(C=C1)NC3=C2CCCC3NC=O 1 2.576 2 3 -2.18104453090093 2840507 C1=CC=C(C(=C1)C2C3=CC(=C(C=C3OC(=C2C#N)N)O)Cl)F 1 3.489 2 2 3.43941343360136e-002 2840496 C1=CC(=CN=C1)C2C3=CC(=C(C=C3OC(=C2C#N)N)O)Cl 1 2.133 3 2 -0.761209218207539 2840479 C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])CCC3=CC=CC=C3 1 3.461 2 3 -12.1976876870056 2840442 CCOC(=O)C1=C(SC2=C1CCCC2O)NC(=O)CN3CCCCC3 1 2.46 2 4 -11.3670465349043 2840433 CC(=CCCC1=CCC(CC1)C(=NNC(=O)N)C)C 1 3.07 3 1 -3.76588524695054 2840429 COC1=CC=CC=C1N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=CC=C4)Br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l 1 2.605 1 1 -5.10647583965243 2840102 C=CCNCC1=CC=CN1C2=C(C3=C(S2)CCCC3)C#N 1 3.987 3 0 -10.7786092777816 2840098 CCCCCC1=CC=C(C=C1)CC(=O)O 1 3.805 0 2 -5.18887337780677 2840067 CC1=C(C=C(C=C1)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl.Br Br- 1 3.642 3 3 -6.99620820321761 2840063 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl 1 -9.5e-002 3 4 0 5.78819777288876 2840039 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC4=CC=C(C=C4)Br.Br Br- 1 4.013 3 2 -5.14281512755574 2840022 C1=CC=C(C=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=CC=C3 1 2.631 6 2 0 -2.58829443119199 2840018 C1CC(OC1)CNC(=O)C2=CC3=CC=CC=C3OC2=O 1 1.426 1 4 0 -18.1313144207258 2840005 C1CCC(CC1)OC(=O)CC(C(=O)OC2CCCCC2)N.Cl Cl- 1 2.866 1 4 -10.2925276265395 2839972 CC(C#CCN1CCCCC1)(C2=CC=CC=C2)O 1 3.105 1 1 1.67125058166672 2839950 CC1=C(C(C(=C(O1)N)C#N)C2=CSC=C2)C(=O)OCC3=CC=CC=C3 1 2.86 2 3 -13.145759621103 2839929 C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C=C(C4=CC=CC=C43)[N+](=O)[O-])[N+](=O)[O-] 1 4.861 4 5 0 -4.49802264519989 2839927 C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)C=NNC(=S)N 1 4.209 3 0 1.64444751091562 2839911 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 3.309 3 2 8.39944853609287 2839893 CC1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=CC=C3 1 2.185 2 2 -5.05512115835314e-002 2839888 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)F)C4=CC=CC(=C4)C(F)(F)F 1 3.793 3 2 12.864307675734 2839876 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC4=CC=C(C=C4)F.Br Br- 1 3.47 3 2 -4.79627704757586 2839874 CC1C(=O)NC(S1)C2=CC=C(C=C2)OC 1 1.924 1 2 0 -6.83984920512698 2839872 C1C(=O)N(C(S1)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3 1 3.14 2 3 -11.8426643363975 2839865 C/C(=C(/C#N)\C(=O)N)/NCC(C)(C)C 1 0.605 3 1 0 -13.3522554156926 2839840 COC1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=CC=C3 1 3.222 1 2 -11.2532521075389 2839830 CC(=CCC(C)(C)C1N(CCO1)C(=O)C2=CC=CC=C2)C 1 3.967 1 2 -11.744482043508 2839816 CN(C)C=NC1=C(N2CCCCC2=C1C#N)C(=O)OC 1 1.52 4 2 0 -8.27777373546537 2839813 COC1=CC=CC=C1NC2=NC(=CS2)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O.Br Br- 1 4.279 3 3 2.50807379578514 2839792 CCN(CC)C1=CC=C(C=C1)C=NNC2=NC(=CC(=N2)C)C 1 2.978 5 0 -8.40017707295615 2839791 CN(C)C1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-] 1 1.82 4 4 0 -7.02728641054714 2839784 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)F)C4=CC=CC=N4 1 2.239 4 2 6.61353762649447 2839773 CN1C2=CC=CC=C2C(=NN(C)C3=CC=CC=C3)C1=O 1 2.941 3 1 -0.411721423795807 2839765 C[N+]1=CC=C(C=C1)C=NNC2=C(C(=C(C(=N2)Cl)C#N)Cl)Cl.[Cl-] Cl- 1 4.523 5 0 -0.496934336469194 2839763 CC1=CC=CC=C1C2C(=C(C3(O2)C(=O)C4=CC=CC=C4C3=O)C(=O)OC)C(=O)OC 1 3.059 0 7 0 -9.72438471280459 2839752 COC1=NC=CC(=C1C#N)NCC2=CC=CC=C2 1 2.473 3 1 -6.62056371631702 2839749 CN1C(=O)CC(C1=O)N2CCN(CC2)C3=CC=CC=C3OC 1 1.052 3 3 0 2.13231583968504 2839743 CCCC1C2CC=CC2C3=C(N1)C=CC(=C3)C(=O)O 1 3.367 1 2 -0.718434475997675 2839721 CCCC(C(=O)OCC)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 4.92 0 3 -10.5513688335608 2839714 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F 1 3.056 3 2 6.72431112389599 2839713 C1=CC=C(C=C1)C=NNC2=C(C(=C(C(=N2)Cl)C#N)Cl)Cl 1 4.918 4 0 -1.20879020855192 2839697 COC1=CC(=CC(=C1OC)OC)C2NC(=O)CS2 1 1.407 1 4 0 -11.2271112430897 2839673 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=CC=C5 1 2.325 3 4 0 5.30948312516468 2839667 COC1=CC=CC=C1N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC=CC=C4 1 2.629 3 3 4.38967817410354 2839652 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(C)CC3=CC=CC=C3 1 2.931 2 3 -2.76786550795433 2839649 CCOCCOCCC(C(=O)OCC)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 3.741 0 5 -12.8563228832448 2839645 CN1C(=O)CC(C1=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 1.733 3 2 0 6.14827865389005 2839644 CC1(CC(C2=CC=CC=C2N1)(C)C3=CC=C(C=C3)OC)C 1 4.225 1 1 -5.06023235428468 2839631 C1C[N+]2(CC[N+]1(C3=CC=CC=C32)[O-])[O-] 1 -1.4e-002 2 2 0 -2.29866745386693 2839622 CCOC(=O)C1=C(OC(=C(C1C2=CC=CS2)C#N)N)C 1 1.706 2 3 0 -15.3605262083293 2839621 CCOC1=CC=CC=C1C2C3=C(C=C(C=C3)N)OC(=C2C#N)N 1 2.447 3 2 -5.45109478804533 2839617 CC(C)C1=CC=C(C=C1)OCC(CN2CCCC2)O.Cl Cl- 1 3.096 1 2 -1.76173306034212 2839615 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OC)C(=O)C1)C 1 2.294 2 3 -17.6234032960554 2839607 CC(C)C(=NNC1=CC=CC=C1[N+](=O)[O-])C2=CC=CC=C2 1 4.453 3 2 -4.94695714358605 2839606 C1CC2=C(C(C(=C(O2)N)C#N)C3=COC=C3)C(=O)C1 1 0.956 2 3 0 -18.0860674781675 2839599 CCC1CCCCN1S(=O)(=O)C2=CC=CC=C2 1 2.765 1 2 -10.0005639642207 2839577 C1C(CC(=O)C2=C1OC(=C(C2C3=CN=CC=C3)C#N)N)C4=CC=CC=C4 1 1.986 3 2 0 -17.3497807329672 2839565 CCC1=C(C(C(=C(O1)N)C#N)C2=CSC=C2)C(=O)OCC 1 2.149 2 3 -14.57240029844 2839559 CCC1=C(C(C(=C(O1)N)C#N)C2=C(C(=C(C=C2)OC)OC)OC)C(=O)OCC 1 2.438 2 6 0 -15.7916049384701 2839553 C1=CC(=CC=C1C2C3=C(C=C(C=C3)N)OC(=C2C#N)N)Cl 1 2.779 3 1 -0.237176215159355 2839492 C1=CC=C2C(=C1)C=CC3=C2C(C(=C(O3)N)C#N)C4=CN=CC=C4 1 2.619 3 1 -4.60077799223305 2839508 C1=CC2=C(C=C1N)OC(=C(C2C3=CSC=C3)C#N)N 1 1.777 3 1 0 -3.48643972457972 2839486 CC1CN(CC(O1)C)CC(COC2=CC=C(C=C2)OC)O.Cl Cl- 1 1.867 1 4 0 -6.72370190230478 2839481 C1=CC2=C(C=C1O)OC(=C(C2C3=CC=C(S3)Br)C#N)N 1 2.93 2 2 1.57057957167364 2839473 C1=CC=C(C=C1)C2C(C2(C#N)C#N)C(=O)N 1 0.453 3 1 0 -3.14238621531272 2839452 C1COCCN1C(=O)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 0.972 2 4 0 -10.4548165580303 2839420 C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N)Cl 1 2.779 3 1 -1.7880612951849 2839408 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=COC=C3)C(=O)C1)C 1 1.414 2 3 0 -19.2454313941235 2839401 C1=CC(=CC(=C1)Br)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N 1 2.863 3 1 -2.85098481123341 2839392 C1C(CC(=O)C2=C1OC(=C(C2C3=CC4=C(C=C3)OCO4)C#N)N)C5=CC=CC=C5 1 2.904 2 4 -20.4239617561437 2839380 CCCC1=C(C(C(=C(O1)N)C#N)C2=C(C(=C(C=C2)OC)C)OC)C(=O)OCC 1 3.397 2 5 0 -11.155306590014 2839333 CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN(C)C)C3=CC=C(C=C3)OC)C.Cl Cl- 1 4.07 2 4 1.74094268531516 2839332 CC1CC2=C(O1)C=C(C(=C2)OC)C=O 1 2.008 0 3 -3.26253825353954 2839325 CCC1=C(C(C(=C(O1)N)C#N)C2=C(C(=C(C=C2)OC)C)OC)C(=O)OCC 1 2.94 2 5 0 -11.4971810459577 2839323 C1CCC(C(C1)C(=O)NC2=C(C=CC(=C2)Cl)Cl)C(=O)O 1 3.59 1 3 -1.15881265886671 2839322 CCOC1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)OC(=C3)C)N)C#N 1 1.866 2 4 0 -14.1730591190125 2839319 CCC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)NC(=O)C)C(=O)OCC 1 1.607 3 4 0 -17.3170989723843 2839290 C1CC2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)N)N 1 1.351 3 1 0 -11.3068700847993 2839288 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(S3)CC 1 3.366 5 5 0 -21.9622433966694 2839271 C1=CC(=CN=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N 1 0.964 4 1 0 -1.85254730538143 2839258 CC1=CC(=C(C=C1)C)C2C(=C(OC3=C2C(=O)OC(=C3)C)N)C#N 1 2.506 2 3 -11.8722943311166 2839253 CCC1=CC=CC=C1NC(=O)C2C3C=CC(C2C(=O)O)O3 1 1.592 1 4 0 0.367489843816523 2839243 CC1(C(CCC1(C)C(=O)O)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C 1 4.008 1 3 -0.742345878883053 2839226 CC1=CC(=CC=C1)NC(=S)NN=C(C)C2=CC(=CC=C2)[N+](=O)[O-] 1 4.447 4 2 -8.60074302730416 2839216 CC1=CC2=NCC(CN2C=C1)O.Cl Cl- 1 -0.104 2 1 0 -2.77660423517026 2839192 CC1CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CS3)C)C(=O)C1 1 2.333 2 2 -14.2786180105463 2839182 C1=CC(=CC=C1C2C(C2(C#N)C#N)C(=O)N)Cl 1 1.117 3 1 0 -0.868033840465667 2839168 COC1=CC=CC(=C1OC)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N 1 2.082 3 3 -4.31154067889488 2839149 C1C(CC(=O)C2=C1OC(=C(C2C3=COC=C3)C#N)N)C4=CC=CC=C4 1 2.24 2 3 -19.2622905593461 2839148 CCC1=C(C(C(=C(O1)N)C#N)C2=C(C=C(C=C2)OC)OC)C(=O)OCC 1 2.454 2 5 0 -15.6733697126755 2839144 C1=CC2=C(C=C1N)OC(=C(C2C3=C(C=C(C=C3)F)F)C#N)N 1 2.526 3 1 3.0676230086952e-002 2839142 CCN(CC)CC1=C(C2=CC(=C(C=C2N1C)Br)O)C(=O)OCC.Cl Cl- 1 3.889 2 3 -2.32419010393119 2839141 CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)C)C#N)N)C 1 2.449 2 3 -11.8798728222778 2839131 COC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCC2C(=O)O 1 2.116 1 5 -6.78659479221484 2839125 CC1=C(C(=O)NN1)C(C2=CC=CC=C2[N+](=O)[O-])C(C#N)C#N 1 0.593 5 3 0 -9.06962307978562 2839116 C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=O)CCC(=O)O 1 2.299 1 4 -10.6064368779697 2839115 C1=CC(=CC(=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3)C(F)(F)F 1 1.591 1 4 0 6.21567926352983 2839113 COC1=CC(=C(C=C1)NC(=O)CSC2=CC=CC=N2)[N+](=O)[O-] 1 2.274 3 4 0 -12.3550405354007 2839106 CC1CCCC(N1C(=O)NC2=CC(=CC=C2)Cl)C 1 3.488 2 1 -3.7725677021017 2839086 CCOC(=O)C1=C(OC(=C(C1C2=C(C(=C(C=C2)OC)C)OC)C#N)N)C 1 2.417 2 5 0 -10.7445286031462 2839060 CCCC1=C(C(C(=C(O1)N)C#N)C2=CC=CS2)C(=O)OCC 1 2.686 2 3 -15.9596007895309 2839057 CC1=CC2=C(C=C1)N(C3=C2CCCC3=O)CC4COC(O4)(C)C 1 3.313 1 3 -3.55637941385358 2839049 CC1CC2=C(C(C(=C(O2)N)C#N)C3=COC4=CC=CC=C4C3=O)C(=O)C1 1 1.622 2 4 0 -13.4424766123219 2839021 COC1=CC=C(C=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N 1 2.098 3 2 -2.47214111489031 2839017 CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3OC)OC)OC)C(=O)C1 1 2.055 2 5 0 -20.9282220963221 2839016 CC1CC2=C(C(C(=C(O2)N)C#N)C3=C(C(=C(C=C3)OC)OC)OC)C(=O)C1 1 2.055 2 5 0 -17.3237049614722 2839013 CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN(C)C)C3=CC=CC=C3)C.Cl Cl- 1 4.087 2 3 1.41637343523662 2839009 CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=CS3)C(=O)O1 1 1.276 2 3 0 -15.0029428980634 2839001 CC1=C(C2=C(C(=C(C(=C2O1)Cl)Cl)O)CN(C)C)C(=O)C3=CC=C(C=C3)Cl 1 5.508 1 3 4.93496320305353 2838987 C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N)F 1 2.32 3 1 -1.05694395283788 2838978 CC1CC(=O)NC2=C(N1C(=O)C)C=CC(=C2)[N+](=O)[O-] 1 0.482 3 4 0 -13.1755602068409 2838975 CC1=CN2CC(CN=C2C=C1)O.Cl Cl- 1 -0.104 2 1 0 -4.40098653454201 2838963 C1C(C1C(=O)NNC(=O)NC2=CC=CC=C2)C3=CC=CC=C3 1 2.157 3 2 -5.77896604037084 2838961 CC(C)C1=CC=C(C=C1)NC(=O)C2CC2C3=CC=CC=C3 1 4.186 1 1 -2.59489297193668 2838945 C1CCC2C(C1)C(=O)CCN2C(=O)C3=CC=CC=C3 1 2.456 1 2 -7.76824930675047 2838941 CCC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC(=C2)OC)OC)C(=O)OCC 1 2.454 2 5 0 -15.0893796005288 2838908 CC1(CC2=C(C(C(C(=S)N2)(CC=C)C#N)C3=CC=C(C=C3)Br)C(=O)C1)C 1 4.644 2 1 -18.5142865182744 2838863 C1CCC(C(C1)C(=O)NC2=CC=CC=C2Cl)C(=O)O 1 2.925 1 3 -3.06282891198135 2838854 CCC1=C(C(C(=C(O1)N)C#N)C2=C(C=C(C=C2)F)F)C(=O)OCC 1 2.898 2 3 -12.2355903685734 2838838 C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)Br)N 1 3.417 2 0 3.50775287806105 2838837 C1=CC=C(C=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N 1 2.115 3 1 -2.51152859000641 2838835 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC(=CC=C4)Cl 1 -9.5e-002 3 4 0 8.36879423183709 2838824 CCC1=CC=C(C=C1)OCC(CN2CC(OC(C2)C)C)O.Cl Cl- 1 2.826 1 3 -6.40489725774016 2838819 CCC1=C(C(C(=C(O1)N)C#N)C2=CC=CS2)C(=O)OCC 1 2.23 2 3 -16.3014752454747 2838813 CCN(CC)C(=O)CCCOC1=C(C=C(C=C1)Cl)Cl 1 3.675 1 2 -9.91067411040018 2838799 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C(=O)C1)C 1 1.946 3 6 0 -18.1941041220095 2838777 CCOC1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)OC4=CC=CC=C43)N)C#N 1 2.928 2 4 -11.6387415584204 2838767 COC1=CC(=C(C=C1)OC)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N 1 2.082 3 3 -3.00930605590992 2838754 CC(C(=O)O)SC(=S)N1CCCC1 1 2.631 1 2 -8.54174415449396 2838748 COC(=O)C1=C(C2=CC3=C(CCCC3)N=C2S1)N 1 2.66 2 2 -12.8228851906557 2838747 C1=CC2=C(C=C1N)OC(=C(C2C3=CC(=CS3)Br)C#N)N 1 2.606 3 1 0.565429708772654 2838745 C1CCC2=C(C1)C=C(C(=N2)SCC(=O)O)C#N 1 2.641 2 2 -17.3908900870865 2838744 CC1=CC2=C(C=C1)N3CCCNC4C3=C2CCC4 1 3.434 2 0 6.56898218761804 2838742 CC1=C(C(C(=C(N1)SC)C#N)C2=CC=CC=C2)C(=O)C 1 2.479 2 1 -22.0068432255085 2838741 CC1(CC2=C(C(C(C(=N2)SC)(CC=C)C#N)C3=CC=C(C=C3)Br)C(=O)C1)C 1 5.016 2 1 -13.6179087320904 2838740 CCOC(=O)C1=C(OC(=C(C1C2=COC=C2)C#N)N)C 1 1.067 2 4 0 -14.2391807496732 2838739 COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N)OC 1 2.082 3 3 -7.75837645109347 2838709 CCOC(=O)C1CCCCN1CC2=CC(=CC=C2)F 1 3.217 1 2 -3.08872479509845 2838706 CCN(CC)C(=O)C1CCCN(C1)CC2=C(C(=C(C=C2)OC)C)C 1 3.578 2 2 -0.486627112054554 2838705 CCN(CC)C(=O)C1CCCN(C1)CC2=CC(=CC=C2)OC3=CC=CC=C3 1 4.182 2 2 -0.440821565086444 2838693 C1CN(CCN1CC2=CC=C(O2)Br)C3=CC=CC=C3 1 3.282 2 1 4.08343368321532 2838686 CC1=C(C(=C(N1C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3)N=CN(C)C)C#N 1 4.682 4 1 -4.09057831557383 2838675 CN(CC1=CC=CC=C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O 1 -0.806 2 4 0 -4.46123010544851 2838671 CCN(CC)C(=O)C1CCCN(C1)CC2=CC(=C(C=C2)OC)C 1 3.092 2 2 -1.81311573118517 2838665 CCCOC1=CC=CC=C1NC(=O)CC2C(=O)NC3=CC=CC=C3N2 1 2.321 3 3 -18.318814701832 2838658 CCCC1=CC=C(C=C1)OCC(CN2CCCC2)O.Cl Cl- 1 3.301 1 2 -1.13221586470964 2838654 CCOC(=O)C1CCCN(C1)CC2=CC=C(C=C2)C3=CC=CC=C3 1 4.233 1 2 2.55490513854676 2838651 CCOC(=O)C1CCCCN1CC2=CC=C(C=C2)C3=CC=CC=C3 1 4.53 1 2 -1.36860746383578 2838643 CCOP(=S)(OCC)SCC(=O)NC(C(C)C)C(=O)O 1 1.858 1 5 0 -17.1509725289966 2838638 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C)CC(COC(=O)C)OC(=O)C)C 1 2.154 1 8 0 -4.83353689769309 2838604 CC1=CC(=C(C(=C1)[N+](=O)[O-])NC2=CC=CC=C2OC)[N+](=O)[O-] 1 3.638 3 5 0 0.554078319701298 2838589 C1CN(CCN1CC2=CC=C(O2)Br)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.177 3 3 1.8388890280866 2838570 C1=CC=C(C(=C1)C=NNC2=CC=CC=C2[N+](=O)[O-])Cl 1 4.007 3 2 -0.146741381949516 2838565 C1CN(CCN1CC2=CC(=C(C=C2)Cl)Cl)C3=NC=CC=N3 1 2.984 4 0 8.13564894500247 2838550 CCN(CC)C(=O)C1CCCN(C1)CC2=CC3=C(C=C2)OCO3 1 2.39 2 3 -4.2408378704643 2838549 CCOC(=O)C1CCCCN1CC2=CC=C(C=C2)C(F)(F)F 1 3.954 1 2 -0.935736978501179 2838546 CCOC(=O)C1CCCN(C1)CC2=CC3=C(C=C2)OCO3 1 2.482 1 4 -2.42836860955585 2838544 COC1=CC(=C(C=C1CN2CCSCC2)OC)OC 1 2.286 1 3 -1.78481294342274 2838539 COC1=CC(=C(C=C1)OC)CN2CCSCC2 1 2.303 1 2 0.9297155678239 2838535 CC1CCCC(N1C(=O)CC2=CC=CC=C2)C 1 2.951 1 1 -8.65897113490628 2838527 CCOC(=O)C1CCCN(C1)CC2=CC(=CC=C2)Cl 1 3.379 1 2 1.38962993078556 2838517 CCOC(=O)C1CCCCN1CC2=C(C(=CC=C2)OC)OC 1 2.979 1 4 -6.56444867850553 2838498 C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-] 1 3.321 4 4 0 3.76676570646239 2838487 CCOC(=O)C1CCCCN1CC2=CC(=C(C=C2)OC)OC 1 2.979 1 4 -9.30046496599495 2838485 CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)Br 1 3.917 1 1 -5.80007148610837 2838479 C1CN(CCN1CC2=CC(=CC=C2)F)C3=CC=C(C=C3)Cl 1 4.402 2 0 10.3637102602727 2838471 CC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C=C(C=C3)OC)C 1 4.153 0 3 -1.65295330694725 2838470 C1C(C1C(=O)NNC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3 1 2.821 3 2 -2.67780540976859 2838453 CC1CN(CC(O1)C)CC(COC2=CC=C(C=C2)C(C)C)O.Cl Cl- 1 3.078 1 3 -5.63936552806112 2838449 CC1(CC(=C(C(=O)C1)[N+](=O)[O-])NCCCO)C 1 0.114 2 4 0 -10.3131189308833 2838428 CCC(C)(C(=O)OCC)NC(=O)CSP(=S)(OCC)OCC 1 2.425 1 5 -11.6676128879693 2838426 CCOC(=O)C1CCCN(C1)CC2=CC(=C(C(=C2)OC)O)OC 1 2.44 1 5 -2.62767229903885 2838417 CCC1=CC=C(C=C1)OCC(CN2CCCC2)O.Cl Cl- 1 2.844 1 2 -2.52726479002116 2838383 C1CN(CCN1CC2=CC=C(C=C2)Cl)C3=NC=CC=N3 1 2.319 4 0 8.39792270197285 2838368 CC1CC(=O)N(C2=C(N1C(=O)C)C=CC(=C2)[N+](=O)[O-])C(=O)C 1 0.472 3 5 0 -9.3065119224966 2838365 CN1CCC(CC1)N(C)CC2=CN=CC=C2 1 0.863 3 0 0 1.67963295532797 2838351 CCOC(=O)C1CCCN(C1)CC2=CC=CS2 1 2.454 1 2 -3.24280381141092 2838347 CCOC(=O)C1CCCN(C1)CC2=C(C=C(C=C2)OC)OC 1 2.682 1 4 -2.68493981783278 2838337 COC1=CC=C(C=C1)OCC(CN2CCCC2)O 1 1.886 1 3 0 -2.84606943458577 2838331 COC1=C(C=C(C(=C1)CN2CCSCC2)[N+](=O)[O-])OC 1 2.197 2 4 -2.95440535115436 2838328 CCN(CC)C(=O)C1CCCN(C1)CC2=CC3=CC=CC=C3C=C2 1 3.53 2 1 -0.755064052554716 2838302 C1CN(CCN1CC2=CC=C(S2)Br)C3=CC=CC=N3 1 3.229 3 0 6.63305537307611 2838298 CC1C(N(CCC1(C2=CC=CC=C2)O)C)C 1 2.018 1 1 2.84017402214312 2838273 CCOC(=O)C1CCCN(C1)CC2=CC=CC=C2Cl 1 3.379 1 2 -1.50893370494536 2838246 CCOC(=O)C1CCCCN1CC2=C(C=CC(=C2)OC)OC 1 2.979 1 4 -6.57704144919254 2838239 C1CN(CCN1CC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl 1 4.402 2 0 9.63280821500296 2838238 CCOC1=CC=C(C=C1)CN2CCCC(C2)C(=O)OCC 1 3.047 1 3 -1.34693475334629 2838224 CCN(CC)C(=O)C1CCCN(C1)CC2=CC(=C(C=C2)F)F 1 3.033 2 1 -1.713867826319 2838218 COC1=C(C2=CC=CC=C2C=C1)CNCCC3=CC=CC=C3.Cl Cl- 1 4.164 1 1 3.7195891773093 2838184 C1CCC(C(C1)C(=O)NC2=C(C(=CC=C2)Cl)Cl)C(=O)O 1 3.59 1 3 -3.15052816166186 2838159 CCOC(=O)C1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl 1 4.804 1 3 3.80856589755528 2838149 CCOC(=O)C1CCCCN1CC2=CC(=CC=C2)C(F)(F)F 1 3.954 1 2 -1.42994113540984 2838145 CCOC1=CC=C(C=C1)NC(=O)C2C(C3C4=CC=CC=C4C2C5=CC=CC=C35)C(=O)O 1 3.937 1 4 -6.53166233239244 2838143 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)CC(CN3CCOCC3)O)C.Cl Cl- 1 2.726 2 5 0 -6.34192472802967 2838130 CCOC(=O)C1CCCN(C1)CC2=CC=CC=C2F 1 2.92 1 2 -2.56270623991373 2838127 CC1=CC(=CC=C1)N2CCC3=C(C4=CC=CC=C4N=C32)N.Cl Cl- 1 3.488 3 0 6.59365849348388 2838113 CCN(CC)C(=O)C1CCCN(C1)CC2=CC=CC=C2F 1 2.827 2 1 -4.37517550082217 2838111 CCN(CC)C(=O)C1CCCN(C1)CC2=CC=CC=C2C(F)(F)F 1 3.564 2 1 -3.52551450630454 2838100 CN(C)C1=CC=C(C=C1)CN2CCCC(C2)O 1 2.016 2 1 2.27772002570243 2838093 COC1=CC(=CC(=C1O)[N+](=O)[O-])CN2CCC(CC2)CC3=CC=CC=C3 1 4.197 2 4 5.53513626965484 2838082 CCN(CC)C(=O)C1CCCN(C1)CC2=CC=CC=C2 1 2.622 2 1 -3.23527542913897 2838079 CCN(CC)C(=O)C1CCCN(C1)CC2=C(C=CS2)C 1 2.848 2 1 -3.41600464672908 2838078 CCOC1=CC=CC=C1CN2CCCC(C2)C(=O)OCC 1 3.047 1 3 -4.20856197878389 2838075 CCOC(=O)C1CCCN(C1)CC2=CC(=C(C=C2)O)OC 1 2.456 1 4 0.539157719679076 2838073 C1COCCN1C(=O)C2CC2C3=CC=CC=C3 1 1.309 1 2 0 -8.2342760642676 2838070 C1C(C1C(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3 1 3.656 1 1 -0.226877638407651 2838057 CCOC(=O)C1CCCN(C1)CC2=CC(=CC=C2)OC3=CC=CC=C3 1 4.275 1 3 1.44269064445705 2838055 CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(C(=N3)C)N=NC4=CC(=CC=C4)O 1 4.64 5 2 0 8.35884334439278 2838041 CCN(CC)C(=O)C1CCCN(C1)CC2=CC(=CC=C2)F 1 2.827 2 1 -0.977681453624344 2838038 CC(C)C1=CC=C(C=C1)NC(=O)C2CCCCC2C(=O)O 1 3.455 1 3 -3.41795833019114 2838029 CCOC(=O)C1CCCN(C1)CC2=C(C=CS2)C 1 2.941 1 2 -1.60353538582064 2838016 CC1=CC=CN2C1=NCC(C2)O.Cl Cl- 1 -0.104 2 1 0 -4.04928914587244 2838010 CCOC(=O)C1CCCCN1CC2=CC(=CC=C2)OC3=CC=CC=C3 1 4.572 1 3 -2.4808219579255 2837999 CC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.441 4 6 0 -11.1042488430959 2837997 CCOC(=O)C1CCCCN1CC2=CC=C(C=C2)F 1 3.217 1 2 -3.81962684036822 2837989 C1CC(CN(C1)CC2=CC=CC3=CC=CC=C32)O 1 2.762 1 1 6.34529078013951 2837985 CC1(C(CCC1(C)C(=O)O)C(=O)NC2CCCCC2)C 1 2.961 1 3 -6.34199220760606 2837982 C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.655 2 3 -6.64564617924425 2837970 CN1CCC(C2C1CCC2)(C3=CC=CC=C3)O 1 2.17 1 1 4.32052629629038 2837966 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.697 4 5 0 -6.44048712428845 2837949 CC1(CC2=C(C(C(=C(N2)SC)C#N)C3=CC=C(C=C3)Cl)C(=O)C1)C 1 3.965 2 1 -23.7700950760398 2837947 CCOC(=O)C1CCCN(C1)CC2=CC=CC=C2C 1 3.201 1 2 -2.49979887733563 2837944 CCC(CO)NC1=C(C(=O)CC(C1)(C)C)[N+](=O)[O-] 1 0.953 2 4 0 -13.1113444215755 2837920 CCOC(=O)C1CCCN(C1)CC2=C(C=CC(=C2)Br)OC 1 3.446 1 3 -2.7772321735081 2837888 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=CC=C3 1 2.802 3 3 -6.42898308685049 2837886 CCN(CC)C(=O)C1CCCN(C1)CC2=CC=C(C=C2)N(C)C 1 2.784 3 1 -5.08174690297203 2837866 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3 1 0.853 1 6 0 -2.57254023465197 2837862 C1CCC(C(C1)C(=O)N2CCCC2)C(=O)O 1 1.351 1 3 0 -6.09273264030035 2837843 C1C(C(=O)N(C1=O)CC2=CC=CC=C2)N(C3=CC=CC=C3)O 1 2.519 2 3 -4.76971987847253 2837842 CCOC(=O)C1CCCN(C1)CC2=CC(=C(C=C2OC)OC)Br 1 3.43 1 4 -3.95589162440773 2837830 CC(=NNC1=NC(=CC(=N1)C2=CC=C(C=C2)F)C3=CC=CC=C3)C4=CC(=CC=C4)N 1 4.887 5 0 3.42526841060221 2837759 CC(=NNC1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)N 1 4.681 5 0 1.2583353453158 2837756 C1=CC=C(C=C1)C2=CC(=NC(=N2)NN=CC3=CN=CC=C3)C4=CC=CC=C4 1 4.297 5 0 1.3629818955186 2837747 C1=CC=C(C=C1)C2=NN=C3C=CC4=NON=C4C3=C2 1 3.065 4 1 4.41084725209677 2837746 C1CC2=NON=C2C3=CC(=NN=C31)C4=CC=CC=C4 1 2.525 4 1 -0.231833661311539 2837744 C1CC2=[N+](ON=C2C3(C1N(C(C3)C4=CC=CC=C4)O)O)[O-] 1 -1.744 3 4 0 2.04266245304986 2837743 CC1CC2(C(N1O)CCC3=[N+](ON=C32)[O-])O 1 -2.978 3 4 0 -0.851943116977734 2837742 CC1CN(C2C1(C3=NO[N+](=C3CC2)[O-])O)O 1 -2.907 3 4 0 -2.00597783963744 2837741 CC(=NO)CC1(C(=NO)CCC2=NON=C21)O 1 -0.565 4 4 0 -1.33585684771996 2837740 C1CC2(C(CC(=[N+]2[O-])C3=CC=CC=C3)(C4=NO[N+](=C41)[O-])O)N 1 -3.065 4 4 0 1.73310748044348 2837738 CC1(CC2(C(=[N+]1[O-])CCC3=[N+](ON=C32)[O-])O)N4CCOCC4 1 -3.849 4 5 0 -4.08466388578813 2837736 C1CC2C(C1)([N+](=C3C2(C4=NON=C4CC3)O)[O-])N5CCOCC5 1 -0.525 4 4 0 -2.83990783096632 2837735 CC1=[N+](C2(CCC3=NON=C3C2(C1)O)N)[O-] 1 -2.049 4 3 0 -1.69513743647819 2837731 C1CC(C2=NON=C2C1)C3=CC=C(C4=NON=C34)N 1 1.479 5 2 0 -2.64615420805325 2837730 COC1=CC=C(C=C1)NC2=C(C=CC3=NC4(CCCCC4)N=C32)[N+](=O)[O-] 1 3.333 4 3 0 0.750097993701947 2837729 C1CCC2(CC1)N=C3C=CC(=C(C3=N2)NC4=CC=CC=C4)[N+](=O)[O-] 1 3.349 4 2 1.00641006447274 2837714 CC1C(NC(=O)N1)CCCCC(=O)O 1 0.557 2 3 0 -13.5246172286274 2837695 C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4 1 3.886 3 2 -8.58880889294185 2837694 CN(C)CCCNS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl 1 3.346 4 2 -3.1063114973409 2837687 CC1=CC(=C(C=C1)C)N2C(=O)CC(C2=O)CC3=CC=C(C=C3)Cl 1 4.577 1 2 -1.1837755568624 2837683 CC(C1=CC=CC=C1)C(CC2=NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5N4 1 5.465 4 0 -0.54685264596974 2837681 COC1=CC=CC(=C1)CC(CC2=NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5N4 1 5.196 4 1 1.1846179548735 2837680 CC1=CC(=CC=C1)CC(CC2=NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5N4 1 5.699 4 0 2.56164697246182 2837672 CC1=CC(=C(C=C1)C)NC(=O)CCCCCCCCCCC2COCCO2 1 5.594 1 3 -16.0399820725984 2837669 CC(CC(=O)NCC1=CC=CC=C1)C2CCCO2 1 2.072 1 2 -16.8049718612983 2837667 CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Cl Cl- 1 0.823 1 4 0 -7.75254352339326 2837665 CC(=CCC1(C(CCC2=C1N=C3C(=C2OC)C=CO3)O)OC)C 1 3.089 1 4 -4.35574400601349 2837664 CC1(C(OC(O1)(C)C)COC2=CC=CC3=C2N(C(=O)C=C3OC)C)C 1 1.397 1 5 0 6.93036295052566e-002 2837663 CC(C)(C(COC1=CC=CC2=C1N(C(=O)C=C2OC)C)O)O 1 0.662 1 5 0 -3.59336063980052 2837631 C1=CC=C(C=C1)C(C2=CC=NC=C2)NC3=CC=CC=C3 1 3.683 2 0 -4.32421567598521 2837628 CC1CN2C(=O)C3=C(N=C2N1CCO)SC4=C3CC(OC4)(C)C 1 1.219 3 3 0 -21.7183203840289 2837583 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CSC=C3)C(=O)C1)C 1 1.972 2 2 0 -18.6377019057448 2837582 C1CC2=C(C(C(=C(O2)N)C#N)C3=CSC=C3)C(=O)C1 1 1.514 2 2 0 -17.4783379897888 2837578 COC1=CC(=CC2=C1OCO2)C3C4=C(C=C(C=C4)O)OC(=C3C#N)N 1 2.371 2 5 0 -2.59924307219244 2837577 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C(=C3)OC)OCO4)C(=O)C1)C 1 2.062 2 5 0 -18.5093553093389 2837576 COC1=CC(=CC2=C1OCO2)C3C(=C(OC4=C3C(=O)CCC4)N)C#N 1 1.604 2 5 0 -17.3499913933829 2837574 CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)C)C=CC(=C2)O)N 1 3.431 1 4 -5.08011469521969 2837573 CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)O)N 1 2.839 2 6 0 -7.17451248257692 2837572 CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)[N+](=O)[O-])C=CC(=C2)O)N 1 2.839 2 6 0 -9.6939664162958 2837570 CCOC(=O)C1=C(OC(=C(C1C2=CC=NC=C2)C(=O)OCC)N)C 1 1.138 2 5 0 -8.47205059031077 2837564 CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3OC)C(=O)CC(C2)(C)C)N 1 2.619 1 5 -23.6247194560298 2837549 CN1C2CCC1C=C(C2)N(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl.Cl Cl- 1 4.123 2 1 -1.32334100648016 2837544 C1CCCN(CC1)CC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42.Cl Cl- 1 4.268 2 1 -1.02294885879644 2837542 C1CCN(C1)CC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42.Cl Cl- 1 3.356 2 1 -0.668480344628363 2837536 C1CCCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl Cl- 1 5.343 2 1 5.6029543442242 2837535 C1CCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl Cl- 1 4.886 2 1 5.6029543442242 2837534 C1CCN(C1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl Cl- 1 4.43 2 1 5.95742285839228 2837510 C1=CC2C3C(C1C4C2C(=O)N(C4=O)C5=NC=CS5)C(=O)N(C3=O)C6=NC=CS6 1 -0.144 4 4 0 -2.00077540998763 2837508 C1=CC2C3C(C1C4C2C(=O)N(C4=O)CCCC(=O)O)C(=O)N(C3=O)CCCC(=O)O 1 -1.19 2 8 0 -11.7021840586832 2837504 C1C2C=CC1C3C2C(=O)N(C3=O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] 1 1.498 4 6 0 -2.21770183953007 2837494 CC1=CC=C(C=C1)S(=O)(=O)NC2C(=C(C(=O)O2)Cl)Cl 1 2.371 1 4 -6.20846287203809 2837466 C1COCCN1CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 0.538 3 4 0 -9.08883264857833 2837430 CCC1=CC2=C(N=CN=C2S1)N3CCCCC3.Cl Cl- 1 3.543 3 0 0.283587005721816 2837423 CC1=C(C(NC(=O)N1)C2=CC=CS2)C(=O)NC3=CC=CC=C3 1 1.84 3 2 0 -29.5228835501536 2837422 CC1=C(C(NC(=O)N1)C2=CC=CS2)C(=O)C 1 0.786 2 2 0 -26.7250230345119 2837385 CCN(CC)C1=NC(=NC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])N(CC)CC 1 2.795 7 2 0 -4.52835708039592 2837375 CC(=NNC(=O)C1=CC=CC=C1O)CN2N=C(N=N2)[N+](=O)[O-] 1 0.734 7 4 0 -5.76649542971178 2837352 C1C(C(=C(NC1=O)SCC(=O)N)C#N)C2=CC=CC3=CC=CC=C32 1 1.807 3 2 0 -17.5318930997198 2837295 CC(C)OC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-] 1 2.963 2 5 0 -9.4659730635947 2837294 CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.508 3 2 4.73195180150078 2837293 C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)O 1 1.024 1 4 0 -11.9917590241597 2837290 COC1=CC=C(C=C1)NC(=O)NC2=CN=CC=C2 1 1.355 3 2 0 -3.42074048422521 2837289 CC(C1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)OC 1 2.89 2 2 -8.13198804356674 2837285 COC1=CC=CC(=C1)NC2=C(C=NC=C2[N+](=O)[O-])[N+](=O)[O-] 1 2.001 4 5 0 1.48757004429922 2837265 C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O 1 3.291 2 6 0 -0.858781584096407 2837259 CC1=C(C2=CC=CC=C2N1C)C=NNC(=O)C3COC4=CC=CC=C4O3 1 3.101 3 3 -3.58777133252741 2837256 CN1C=C(C2=CC=CC=C21)C=NNC(=O)C3COC4=CC=CC=C4O3 1 2.955 3 3 -1.1120308417758 2837246 C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.555 3 6 0 -1.77929088878766 2837244 C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-] 1 3.555 3 6 0 -3.2006548576709 2837241 C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC=C(S3)[N+](=O)[O-] 1 2.428 3 5 0 0.529099084926881 2837240 C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC=CS3 1 2.409 2 3 -4.62897498861587 2837238 C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-] 1 1.87 3 6 0 -2.83607658731788 2837237 C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC(=C(O3)Br)Br 1 3.167 2 4 -2.66855778658442 2837233 CC(=NNC(=O)C1COC2=CC=CC=C2O1)C3=CC=CS3 1 2.39 2 3 -7.37198896812072 2837232 CC(=NNC(=O)C1COC2=CC=CC=C2O1)C3=CC=CO3 1 1.832 2 4 0 -2.82646849436164 2837217 C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC4=C(C=C3Br)OCO4 1 2.972 2 5 0 -4.08268141831817 2837216 C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC4=C(C=C3)OCO4 1 2.224 2 5 0 -4.58032787728489 2837186 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2COC3=CC=CC=C3O2 1 2.407 2 6 0 -6.86897041563646 2837185 COC1=C(C=C(C=C1)C=NNC(=O)C2COC3=CC=CC=C3O2)O 1 2.197 2 5 0 -0.677417741327519 2837150 C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.35 3 5 0 -5.62517691506247 2837108 CC1(CC(=CC(=O)C1)NCC2=CN=CC=C2)C 1 1.282 2 1 0 -16.0769018010405 2837111 COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57 1 4.727 2 3 -2.27476913508896 2837128 CC1CC2C(CCC3(C2CC4C3(CCCC4)C(=O)C)C)C5(C1(CC(=O)CC5)O)C 1 4.271 0 3 -8.70731796802522 2837113 C1COCCN1CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC=CC=C4 1 2.704 4 2 -8.9941917508444 2837091 CN1C(=CC=N1)C(=O)NC2=CC=C(C=C2)Cl 1 2.22 3 1 -7.70090257981859 2837086 CC1(C2CCC1(C(=O)N(C2=O)C3=CC(=CC=C3)Cl)C)C 1 3.539 1 2 -0.636132799362759 2837061 C1=CC(=NC(=C1)NC(=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)Cl 1 4.655 3 2 -1.11520191147969 2837057 C1=CC=C2C(=C1)C=C(C=N2)NC(=O)C3=CC=NC=C3 1 1.65 3 1 0 -1.82402542986111 2837056 C1=CC(=CN=C1)C(=O)NC2=NC=C(C=C2)[N+](=O)[O-] 1 0.747 4 3 0 -9.72152207252968 2837048 CC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)[N+](=O)[O-] 1 2.39 2 4 -5.09916033191594 2837037 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(O2)Br)[N+](=O)[O-] 1 2.958 2 4 -6.4123703163646 2837033 C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CO4 1 2.576 1 2 -5.90980091835775 2837032 CC(CNC(=O)C1=CC=C(O1)Br)NC(=O)C2=CC=C(O2)Br 1 2.198 2 4 -11.1467677471016 2837028 CC(C1=CC=CC=C1)NC(=O)C2=CC=C(O2)Br 1 2.962 1 2 -9.07888481595326 2837025 CCC(C)NC(=O)C1=CC=CC=C1C(=O)NC(C)CC 1 2.746 2 2 -11.5406916207182 2837020 CC(CNC(=O)C1=CC=CO1)NC(=O)C2=CC=CO2 1 1.062 2 4 0 -9.83355776265297 2837016 C1CC2CC1CC2C(=O)NNC(=O)C3=CC=CC=C3 1 2.009 2 2 -3.63378022854944 2836994 C1CC2CC1CC2C(=O)NNC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 3.827 2 2 2.54924364007232 2836992 C1CC2CC1CC2C(=O)NCC3=CC=CO3 1 1.941 1 2 0 -5.42480382780236 2836986 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=CC=N4 1 2.577 2 1 -7.90515096167352 2836985 C1CC2CC1CC2C=NNC(=O)CC3=CC=CC=C3 1 2.748 2 1 -3.30226671757562 2836960 CC1CCC(CC1)OC(=O)C2=C(NC(=O)NC2C3=CC=C(C=C3)OC)C 1 3.158 2 4 -35.732849740287 2836942 CC1=C(C(NC(=O)N1)C2=CC=CC=C2Br)C(=O)OCC3=CC=CC=C3 1 3.396 2 3 -28.4936812786829 2836941 CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 1 2.648 2 3 -31.0108103671774 2836937 CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)Br)C(=O)OCC3=CC=CC=C3 1 3.396 2 3 -29.2361511191829 2836923 CCOCCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2Br)OCO3)C 1 1.799 2 6 0 -35.0023353924219 2836919 CCCCCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2OCC)C 1 3.182 2 4 -33.5999467219962 2836907 CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OC3CCCCC3 1 2.923 2 3 -33.2707082040921 2836905 CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)OC)OC)C(=O)OC3CCCCC3 1 2.89 2 5 0 -32.715264886374 2836900 CC1=C(C(NC(=O)N1)C2=CC=CC=C2OC)C(=O)OC3CCCCC3 1 2.906 2 4 -32.956030536929 2836898 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)N(C)C)C(=O)OC3CCCCC3 1 3.085 3 3 -35.4796408984445 2836875 CCOC(=O)C1C(CN(C1=O)C(=O)C2=CC(=CN=C2)Br)C3=CC=CC=C3 1 2.413 2 4 -8.429941640854 2836874 C1C(CN(C1=O)C(=O)C2=CC(=CN=C2)Br)C3=CC=CC=C3 1 2.232 2 2 -4.45287915142041 2836868 C1C(C(C(=O)N1)C(=O)O)C2=CC=CC=C2 1 0.586 1 3 0 -8.87347484709773 2836867 CCOC(=O)C(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C(CC3=CC=CC=C3)C(=O)OCC 1 4.742 2 6 0 -9.444301508997 2836861 CCN(CC)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)C(=O)OCC 1 4.145 2 3 -13.3543555034435 2836856 CCOC(=O)C(CC1=CC=CC=C1)C(=O)NC2=CC=CC3=CC=CC=C32 1 4.194 1 3 -8.97394739472697 2836855 CCOC(=O)C(CC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2 1 3.293 1 3 -10.9951373448546 2836853 CCOC(=O)C(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C 1 3.772 1 3 -6.82773123997509 2836852 CCOC(=O)C(C1CCCCC1)C(=O)NC2=NC3=CC=CC=C3S2 1 4.128 2 3 -4.91560189947873 2836847 CCOC(=O)C(C1CCCCC1)C(=O)NC2=CC=CC=C2 1 3.502 1 3 -10.1432804188328 2836844 CCOC(=O)C(C1CCCCC1)C(=O)NCC=C 1 2.542 1 3 -14.5493136398283 2836841 CCOC(=O)C(C1CCCCC1)C(=O)N2CCOCC2 1 1.819 1 4 0 -12.3190240099105 2836840 CCOC(=O)C(CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2C 1 3.772 1 3 -10.562292415613 2836838 CCCCCCNC(=O)C(C1CCCCC1)C(=O)OCC 1 4.167 1 3 -14.2024178141403 2836833 CCOC(=O)C(C1CCCCC1)C(=O)NC2=CC=CC(=C2)C 1 3.989 1 3 -8.09898072713037 2836818 C1C(NC2=CC=CC=C2N=C1C3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5 1 4.223 2 2 -5.06000692125484 2836814 COC1=CC=C(C=C1)C(=NNC2=CC=CC=C2C(=O)O)C3=CC=CC=C3 1 4.706 2 3 -4.27463842501486 2836811 COC1=CC=C(C=C1)C(=NNC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)OC 1 4.69 2 4 -3.95450598345304 2836808 C1C2C=CC1C3C2C(=O)N(C3=O)CC4=CC=CC=C4 1 1.694 1 2 0 -0.61206296365286 2836787 CN(C)C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O 1 2.2 1 3 -5.51732624013208 2836732 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=CC=CC=C32 1 1.823 3 3 0 -10.1896134940234 2836734 CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C 1 1.739 2 3 0 -14.1041169445309 2836735 CCC1CCCCN1C(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.476 2 4 -8.36359669347631 2836770 CC1CCCCN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.136 2 4 -13.8313148960399 2836765 CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC=CS2)[N+](=O)[O-] 1 1.695 3 4 0 -8.24455272819056 2836761 CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 2.622 2 4 -13.056526450747 2836756 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N)[N+](=O)[O-] 1 0.801 3 5 0 -15.9542085575216 2836754 CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-] 1 3.323 3 4 0 -2.13167719800403 2836751 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=N2)[N+](=O)[O-] 1 2.086 3 4 0 -5.57687040907206 2836718 CCN(CC)C(=O)C1CC(=O)OC12CCCCC2 1 1.792 1 3 0 -9.17203417281274 2836717 C1CCC2(CC1)C(CC(=O)O2)C(=O)N3CCOCC3 1 0.782 1 4 0 -10.1504695782766 2836712 CCOC(=O)C1C(C2(CCCCC2)OC1=O)C(=O)OCC 1 2.065 0 6 -8.35295815089988 2836711 CCOC(=O)C1C(C2(CCCC2)OC1=O)C(=O)OCC 1 1.609 0 6 0 -7.9984896367318 2836704 CCC1(CC(CCS1)C2=NC(=CS2)C3=CC=C(C=C3)OC)C.Br Br- 1 4.684 1 1 2.83265957422833 2836661 CCOC(=O)C(C)C1=NN(C(=O)C2=CC=CC=C21)C 1 1.887 2 3 0 -8.93945213838635 2836660 CCOC(=O)C(C)C1=NNC(=O)C2=CC=CC=C21 1 1.681 2 3 0 -12.7755533391274 2836659 CC(C1=NNC(=O)C2=CC=CC=C21)C(=O)O 1 1.106 2 3 0 -11.066979854438 2836642 C1CCCN(CC1)C2=CC=C(C3=NON=C23)[N+](=O)[O-] 1 2.829 4 3 0 -0.608274199478431 2836637 COC(=O)C1=CC=C(C=C1)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-] 1 2.699 4 5 0 -1.08767264732011 2836636 C1=CC(=CC=C1NC2=C(C3=NON=C3C=C2)[N+](=O)[O-])Br 1 3.592 4 3 0 3.27006930514361 2836634 COC1=CC=CC=C1NC2=C(C3=NON=C3C=C2)[N+](=O)[O-] 1 2.827 4 4 0 1.29126626408862 2836633 C1=CC(=CC=C1C(=O)O)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-] 1 2.474 4 5 0 3.21764013118855e-002 2836632 C1=CC(=CC(=C1)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-])C(=O)O 1 2.474 4 5 0 0.48452294818306 2836626 CC1=CC=C(C=C1)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-] 1 3.33 4 3 0 2.90473035965823 2836625 CC1=CC=CC=C1NC2=C(C3=NON=C3C=C2)[N+](=O)[O-] 1 3.33 4 3 0 2.69300984285159 2836606 C1=CC(=CC=C1C(=O)O)NC2=CC=C(C3=NON=C23)[N+](=O)[O-] 1 2.474 4 5 0 -2.06344084398634 2836605 C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C3=NON=C23)[N+](=O)[O-] 1 2.474 4 5 0 -1.61410828011908 2836594 C1=CC(=CC=C1C(=O)O)NC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-] 1 3.138 4 5 0 8.02286158540927 2836593 C1=CC=C(C(=C1)C(=O)O)NC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-] 1 3.138 4 5 0 8.47219414927654 2836586 C1=CC(=CC=C1NC2=C(C3=NON=C3C=C2)[N+](=O)[O-])S(=O)(=O)N 1 1.549 5 5 0 -2.76566567418168 2836585 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C4=NON=C4C=C3)[N+](=O)[O-] 1 2.733 7 5 0 -7.95185876709494 2836581 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-] 1 1.539 5 6 0 -7.34086188389584 2836580 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC3=CC=C(C4=NON=C34)[N+](=O)[O-] 1 2.733 7 5 0 -10.0474760123932 2836557 C1CN2C(=C(C(=O)N=C2SC1)C(C3=CC=C(C=C3)Br)C4=C(N5CCCSC5=NC4=O)O)O 1 4.058 4 4 0 -14.5305750209627 2836539 C1CN2C(=C(C(=O)N=C2SC1)C(C3=CC=C(C=C3)Cl)C4=C(N5CCCSC5=NC4=O)O)O 1 3.974 4 4 0 -13.0739152758613 2836475 CC1=C(C(=C(N1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br)N=CN(C)C)C#N 1 4.682 4 1 -3.96142325865211 2836474 CC1=C(C(=C(N1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)N=CN(C)C)C#N 1 3.934 4 1 -5.41544123369508 2836431 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCN3CCCCC3.Cl Cl- 1 2.579 3 3 -3.18855651313134 2836425 C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CN=CC=C4 1 2.355 2 1 -4.04554919521386 2836419 C1COCCN1CCOC(=O)C2=CC=CC=C2.Cl Cl- 1 1.511 1 3 0 -6.62319968000633 2836414 COC1=CC=CC=C1C(=O)OCCN2CCOCC2.Cl Cl- 1 1.495 1 4 0 -7.04636120766882 2836413 C1COCCN1CCOC(=O)C2=CC=CC=C2Cl.Cl Cl- 1 2.176 1 3 -5.7347987645501 2836410 COC1=CC=C(C=C1)C(=O)OCCN2CCCCC2.Cl Cl- 1 2.724 1 3 -3.770869162094 2836409 C1CCN(CC1)CCOC(=O)C2=CC(=CC=C2)Cl.Cl Cl- 1 3.405 1 2 -1.74465732778899 2836407 C1CCN(CC1)CCOC(=O)C2=CC=CC=C2F.Cl Cl- 1 2.946 1 2 -3.94760108494103 2836405 C1CCN(CC1)CCOC(=O)C2=CC=C(C=C2)Cl.Cl Cl- 1 3.405 1 2 -1.60694721099808 2836400 COC1=CC=C(C=C1)C(=O)OCCN2CCOCC2.Cl Cl- 1 1.495 1 4 0 -6.16947537300608 2836385 C1C(C(=O)N(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])SC(=NN=CC3=CC=CS3)N 1 2.818 5 4 0 -1.71116229678806 2836343 CC(=O)NN=C(C1=CC=CC=C1)C(C2=CC=CC=C2)O 1 2.046 2 2 -6.58265830213614 2836338 C1=CC=C(C=C1)C(=CC(=O)C(=O)NNC(=O)C2=CC=CC=C2)O 1 1.677 2 4 0 -5.30065734044367 2836320 CC1=NC(=CS1)C2CC(=O)OC23CCCCC3 1 2.344 1 2 -2.71356001583673 2836319 CCOC(=O)C1C(C2(CCOC(C2)(C)C)OC1=O)C(=O)OCC 1 0.63 0 7 0 -12.7399660461454 2836318 C1CCN(CC1)CC2=CC=C(O2)C(=O)O.Cl Cl- 1 -1.111 1 3 0 -1.40874220383295 2836313 CC(CCC1=CC=CC=C1)NCC#N.Cl Cl- 1 2.253 2 0 -3.24354238319552 2836311 CCN(CC)CCCOC(=O)C1=C(C=C(C=C1)OC)O.Cl Cl- 1 2.325 1 4 -1.16038583581143 2836301 CC1C2=CC(=C(C=C2CCN1C(=O)C3COC4=CC=CC=C4O3)OC)OC 1 3.019 1 5 -14.4272442886273 2836289 C1CCC(C1)(C2=CC=CC=C2)C(=O)NCC3COC4=CC=CC=C4O3 1 3.956 1 3 -10.0126513631915 2836288 C1COC(C2=CC=CC=C21)CNC(=O)C3COC4=CC=CC=C4O3 1 2.367 1 4 -11.1204437300644 2836281 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3COC4=CC=CC=C4O3 1 2.557 2 3 -3.86147694030846 2836278 C1COC(C2=CC=CC=C21)CNS(=O)(=O)C3=CC=CC=C3 1 2.297 1 3 -11.3326346842063 2836270 C1C(OC2=CC=CC=C2O1)C3=NNC(=S)O3 1 2.316 2 3 -1.95328809603824 2836255 COC1=C(C=C2C(=C1)C(NCC23CCCC3)C4=CC(=CC=C4)[N+](=O)[O-])OC 1 4.049 2 4 -10.2229128555494 2836251 COC1=C(C=C2C(=C1)C(NCC23CCCC3)C4=CC=C(C=C4)[N+](=O)[O-])OC.Cl Cl- 1 4.049 2 4 -9.48209925130682 2836236 CC1(C(CCC1(C)C(=O)O)C(=O)NC(C)(C)C)C 1 2.034 1 3 -9.07132233872373 2836234 CC(C)C(C(=O)NC1=CC=CC=C1OC)N2C(=O)C3=CC=CC=C3C2=O 1 2.809 2 4 -14.7059084318289 2836228 CN1C2=C(C=[N+](C=C2)CC(=O)C3=CC=C(C=C3)OC)N=C1C4=CC=CC=C4.[Br-] Br- 1 4.32 3 2 5.11053250503688 2836226 CN1C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)N(C)C)C.[Cl-] Cl- 1 4.075 3 0 -1.68968081827441 2836222 CC1=NC(=C(N1CC2=CC=CC=C2)NCCO)[N+](=O)[O-] 1 1.594 4 3 0 -5.25813856060265 2836220 CC1=NC(=C(N1CC2=CC=CC=C2)N3CCN(CC3)C)[N+](=O)[O-] 1 2.444 5 2 0 -2.57258111187463 2836219 CC1=NC(=C(N1CC2=CC=CC=C2)N3CCOCC3)[N+](=O)[O-] 1 2.175 4 3 0 -7.14107263060106 2836217 CC1=NC(=CN1CCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-] 1 1.94 4 4 0 -6.35902865022411 2836180 C1CCCN(CC1)CC(CN(C2=CC=CC=C2)C3=CC=CC=C3)O.Cl Cl- 1 4.587 2 1 -3.20293817540783 2836179 C1CCN(CC1)CC(CN(C2=CC=CC=C2)C3=CC=CC=C3)O.Cl Cl- 1 4.131 2 1 -3.20293817540783 2836178 C1COCCN1CC(CN(C2=CC=CC=C2)C3=CC=CC=C3)O.Cl Cl- 1 2.901 2 2 -5.60154438631992 2836177 C1=CC=C(C=C1)N(CC(CN2C=NC3=CC=CC=C32)O)C4=CC=CC=C4 1 4.445 3 1 -1.83147398453702 2836166 C1=CC=C2C(=C1)C3=CC=CC=C3N2CCC(=O)NN 1 2.139 3 1 -2.39346016963113 2836165 C1=CC=C(C=C1)N(CC(CO)O)C2=CC=CC=C2 1 2.535 1 2 -1.9396263100727 2836151 CCCCCCCC(=O)NNC(=O)CC(=O)NC1=CC=CC=C1C(=O)O 1 2.086 3 5 0 -13.9053433406232 2836150 CCCCCCC(=O)NNC(=O)CC(=O)NC1=CC=CC=C1C(=O)O 1 1.629 3 5 0 -13.9053433406232 2836148 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.8 3 6 0 -10.1422748459546 2836126 C1=CC=C(C=C1)CC2C(=O)N=C(S2)NC3=CC=CC=C3 1 3.922 2 1 -5.1883067741886 2836123 C1=CC=C(C=C1)C(=O)C(NC2=NC=CC=N2)NC(=O)C3=CC=CC=C3 1 2.439 4 2 -13.1021323121972 2836112 CCOC(=O)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] 1 2.052 3 6 0 -14.3758497404142 2836108 CC1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O 1 3.06 1 1 -3.40728136509875 2836102 C1CCN(CC1)CCOC(=O)CC2=CC=CC=C2.Cl Cl- 1 2.776 1 2 -4.82314774786722 2836076 C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NCC4=CC=CC=C4 1 3.501 1 1 -6.35595403808541 2836070 CN(C)CCOC(=O)NC12CC3CC(C1)CC(C3)C2.Cl Cl- 1 2.298 2 2 -4.81485423072819 2836069 CC12CC3CC(C1)(CC(C3)(C2)C(=O)NNC(=O)C4=CC=NC=C4)C 1 2.024 3 2 -7.40179723161243 2836058 CC1=C(N=C(S1)N)C23CC4CC(C2)CC(C4)C3 1 3.064 2 0 8.31382078036629 2836054 C#CCOC(=O)CN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O 1 2.67 1 4 -5.8849278633381 2836050 C1COCCN1CC(COC2C3CC4CC(C3)CC2C4)O.Cl Cl- 1 1.623 1 3 0 -4.18038387308097 2836027 COCCNC(=O)NC12CC3CC(C1)CC(C3)C2 1 1.381 2 2 0 -12.5952539699696 2836025 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)OCCN(C)C)C)C.Cl Cl- 1 3.333 1 2 -3.9870113795399 2836006 C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(=O)N 1 3.077 1 2 1.12398259664954 2835994 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=C(C=C5)OC 1 5.214 1 2 2.7487960474168 2835990 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCOCC5 1 3.547 1 2 3.36215016688479 2835983 C1CCN(C1)C(=O)CC23CC4CC(C2)CC(C4)C3 1 2.631 1 1 -5.6314196846058 2835978 C1C2CC3CC1CC(C2)(C3)C(CO)N.Cl Cl- 1 1.316 1 1 0 -0.648310960003437 2835951 CC1=C(C(=NC(=N1)C2=CC=CC=C2)NN=CC3=CC=CC=C3)CC=C 1 4.482 4 0 1.80532416581511 2835949 CC1=CC2=C(N=C(N=C2O1)NN=CC3=CC=C(C=C3)[N+](=O)[O-])C 1 2.379 5 3 0 -5.89704467396693 2835940 CC(C)OC1=C(C=C(C=C1)C(=O)C)CN2CCCCC2.Cl Cl- 1 3.27 1 2 -3.93846511676254 2835938 CC(=O)C1=CC(=C(C=C1)OC)CN2CCCCC2.Cl Cl- 1 2.544 1 2 -3.30769525533595 2835930 CN(C1=CC=CC=C1)NC2CC(=O)N(C2=O)C3=CC=CC=C3 1 2.213 3 2 -5.44707109958362 2835927 CC1=CC(=NN1C2CC(=O)N(C2=O)C3=CC=CC=C3)C 1 1.603 3 2 0 -6.87789132169583 2835912 CC1=NC2=CC=CC=C2N1C3CC(=O)N(C3=O)N(C)C 1 0.645 4 2 0 -2.91772197002584 2835892 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC=CC(=C4)C(F)(F)F 1 0.182 3 4 0 9.55865035798526 2835885 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4 1 3.393 3 2 8.42914811204534 2835874 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.293 3 3 10.8283819810393 2835862 CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)OCC(Cl)(Cl)Cl 1 2.989 2 4 -12.0475172266129 2835859 CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C2=CC=C(C=C2)N(C)C 1 0.99 1 4 0 -12.5015510011842 2835855 CN1C(=O)CSC1=NC23CC4CC(C2)CC(C4)C3 1 2.654 2 1 -5.43119998036414 2835853 CN1C(=O)CSC1=NCC23CC4CC(C2)CC(C4)C3 1 2.986 2 1 -4.6429381568023 2835852 CCN1C(=O)CSC1=NC23CC4CC(C2)CC(C4)C3 1 3.003 2 1 -6.9434630733872 2835848 C1C2CC3(CC1CC(C2)(C3)O)CN.Cl Cl- 1 0.61 1 1 0 -0.263052352892831 2835837 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)N 1 2.016 2 1 -5.6517448455953 2835800 CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OCC)CC)C.[I-] I- 1 3.15 2 2 -0.243959459723692 2835780 C1C2C=CC1C3C2C(=O)N(C3=O)CC4=CC=C(C=C4)CN5C(=O)C6C7CC(C6C5=O)C=C7 1 1.558 2 4 0 -0.623567001090816 2835771 CC1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N 1 4.287 2 0 3.50305559616983 2835751 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CNC(=O)NC4=O 1 0.6 4 7 0 -18.6596975453047 2835740 CC1=CC=CC=C1N=C2C(C(=O)C3=C2C=CC=C3[N+](=O)[O-])C(=O)C 1 3.249 2 4 -2.49243995940888 2835734 C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 2.754 4 5 0 -2.50201664652131 2835717 CC1=CC(=CC=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3CC(=O)NC4=CC=CC=C43)[N+](=O)[O-] 1 3.452 5 6 0 -9.00286924199958 2835708 CC(=O)NC1=CC=C(C=C1)NC2(C(=O)C3=CC=CC=C3C2=O)C 1 2.101 2 3 -6.76981266776664 2835687 CC1=CS(=O)(=O)CC1SC(=S)N(C)C2CCS(=O)(=O)C2 1 1.539 1 4 0 -11.9382060945454 2835677 CCN(CC)C1CCS(=O)(=O)C1.Cl Cl- 1 0.525 1 2 0 -13.0731585066574 2835674 CC1=CS(=O)(=O)CC1SC2=NC=NN2.Br Br- 1 0.5 3 2 0 -4.79944324107609 2835634 CCSC1=C(C(CC(=O)N1)C2=CC=CC=C2Cl)C#N 1 3.058 2 1 -14.2054690139785 2835622 CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=NC=C3)C(=O)NC4=CC=CC=C4 1 3.02 5 2 0 -31.5913625845395 2835608 CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4 1 4.302 3 2 -31.8066651472993 2835602 CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CO2)C(=O)NC3=CC=CC=C3 1 1.572 4 3 0 -34.3075603558134 2835594 CCCSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CS3)C#N 1 4.149 3 1 -30.2109782233175 2835576 CCCN1C2=CC=CC=C2N=C1C(C3=CC(=C(C=C3)OC)OC)O 1 3.698 2 3 -7.38386151225064 2835548 CCOC(=O)N(C1=CC=CC=C1)P2(=S)OCC(O2)C 1 2.841 1 4 -7.4571953710927 2835547 COC1=NC(=NC(=N1)NC23CC4CC(C2)CC(C4)C3)OC 1 2.955 4 2 -4.59304614309017 2835546 C1COCCN1C2=NC(=NC(=N2)NCCO)N3CCOCC3 1 -1.235 6 3 0 -0.530156860703186 2835542 CC1C2C(N(C(=O)N(C2N(C(=O)N1C)C)C)C)C 1 -0.242 4 2 0 -4.99841072358665 2835500 CC1=CC=C(C=C1)C(=NNC(=O)CNC(=O)C2=CC=NC=C2)C 1 1.059 4 2 0 -14.2416030519573 2835498 C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NN=CC4=CC=NC=C4 1 3.148 3 1 -0.330202728742056 2835449 CC(C)C(CC#CCN1CCCC1)(C2=CC=CC=C2)O.Cl Cl- 1 3.813 1 1 1.59796642541353 2835448 CC(C)N(CC#CCC1(C2=CC=CC=C2C3=CC=CC=C31)O)C(C)C.Cl Cl- 1 4.885 1 1 -3.93609574101112 2835442 CN1CCCC(C1)C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 4.108 1 1 1.19043756079955 2835441 CCN(CC)CCCC(=NO)C(C1=CC=CC=C1)(C2=CC=CC=C2)O 1 3.829 2 2 -4.2644515899111 2835438 COC(CCN1CCCCC1)(C#C)C2=CC=CC=C2.Cl Cl- 1 3.829 1 1 -2.4047628986624e-002 2835432 CCN(CC)CC#CCC(C1=CC=CC=C1)(C2=CC=CC=C2)OC.Cl Cl- 1 4.85 1 1 -1.2950892096306 2835426 CCN(CC)CCCCN1C2=CC=CC=C2SC3=CC=CC=C31.Cl Cl- 1 5.353 2 0 2.47349070893825 2835419 CC(C)(C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)N3CCCC3.Cl Cl- 1 4.466 1 1 -1.88177992702421 2835416 CCN(CC)CC#CCC(C1CCCCC1)(C2=CC=CC=C2)O.Cl Cl- 1 5.047 1 1 -2.64027932959836 2835413 C1CCC(CC1)C(C#CCCN2CCCCC2)(C3=CC=CC=C3)O 1 5.266 1 1 0.76814725337784 2835407 CC1(CCCC1)C(C#CCN2CCCCC2)(C3=CC=CC=C3)O.Cl Cl- 1 4.763 1 1 2.10851431944566 2835401 C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)SC3=CC(=C(C=C3)C(=O)O)C(=O)O 1 3.94 0 8 0 -9.19150731506072 2835393 CC1=CC(=O)N2C(=N1)SC(=N2)C3=CC=CC=C3 1 2.678 3 1 -3.89137992350066 2835389 CC(=O)NC1=NN(C(S1)(C)CCS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)C 1 2.13 3 4 0 -16.4244429007994 2835387 CC(=O)NC1=NN(C(S1)(C)CCS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)C 1 2.711 3 4 0 -16.5935793568004 2835376 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O 1 3.583 2 8 0 -1.92434880134553 2835354 C1C2CC3(CC1CC(C2)(C3)N)CC(=O)O 1 -1.599 1 2 0 -2.35700582585279 2835337 CCCCC(=O)OCC(=O)C1=CC=C(C=C1)OCC 1 3.188 0 4 -13.9569345874196 2835333 CCCCOC1=CC=C(C=C1)C2CC(=O)NC2=O 1 2.014 1 3 -8.56319986430418 2835332 CCN1C(=O)CC(C1=O)C2=CC=C(C=C2)OC(C)C 1 1.967 1 3 0 -5.00428122773276 2835330 CC(C)OC1=CC=C(C=C1)CC2CCC(=O)N(C2=O)C 1 2.53 1 3 -5.58083535044276 2835327 CCCOC1=CC=C(C=C1)C2CC(=O)NC2=O 1 1.558 1 3 0 -7.37161002637286 2835326 CCOC(=O)CN1C(=O)CC(C1=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.858 2 6 0 -10.5012502729295 2835325 CCCCCCOC1=CC=C(C=C1)C(CC(=O)NC)C(=O)O 1 2.938 1 4 -9.81731708567657 2835324 CCOC1=CC=C(C=C1)C(C)(C(=O)O)N 1 -1.282 1 3 0 -0.422358320407661 2835311 CCCCCCCOC1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C 1 3.551 2 3 -5.76225627031047 2835307 CC(C)CCOC1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C 1 2.434 2 3 -7.33394273614326 2835304 CC(C)C1CC2=CC=CC=C2C3=C1C(=O)NC(=S)N3 1 3.351 2 1 -7.66696885076851 2835303 CCOC(=O)C1=C(C2=CC=CC=C2CC1C(C)C)NC(=S)NC(=O)C3=CC=CC=C3 1 5.385 2 3 -13.8713916755207 2835302 CCC1(CC2=CC=CC=C2C3=C1C(=O)NC(=S)N3)C 1 3.305 2 1 -9.46506751105733 2835299 CC1(C2N(CCN1CC(=O)NN)C(=O)CS2)C 1 -1.019 4 2 0 -13.2936223868084 2835297 CC1(C2N(CCN1)C(=O)CS2)C3=CC=CC=C3.Cl Cl- 1 1.317 2 1 0 -9.91726193895147 2835294 C1C(OC2=CC=CC=C2O1)C3=NC(=S)NN3 1 1.668 3 2 0 -0.445989635971063 2835280 CC1(CC(CCO1)CCNCC2=CC=C(C=C2)N(C)C)C.Cl Cl- 1 2.92 2 1 -5.01306405501314 2835215 CC1CC(C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)N(C4=CC=CC=C4)C(=O)C 1 4.017 2 2 -7.57561651890057 2835210 CC1=CC2=C(C=C1)N=C(N=C2C)N=C(N)N 1 0.996 5 0 0 2.31758714603513 2835195 C1=CC=C(C=C1)C2C3(C(C4(O2)C(=O)C5=CC=CC=C5C4=O)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)C7=CC=CC=C7C3=O 1 4.962 1 7 0 -5.12009526530704 2835192 COC(=O)C1=C(C2(C(=O)C3=CC=CC=C3C2=O)OC1C4=CC=C(C=C4)Br)C(=O)OC 1 3.322 0 7 0 -7.86104442701911 2835191 C1=CC=C2C(=C1)C3=NC4=CC=CC=C4NC3=C(C2=O)C5=CC=C(C=C5)[N+](=O)[O-] 1 4.227 3 3 -8.20361028654009 2835162 CCCC(=O)N(C1=CC=C(C=C1)OC(=O)CCC)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 4.216 2 7 0 -18.7175566428346 2835159 CC(=O)N(C1=CC=CC=C1OC(=O)C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.969 2 7 0 -11.9791660731671 2835151 CC(=O)N(C1=CC=C(C2=CC=CC=C21)OC(=O)C)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.648 1 5 -3.87255157531264 2835099 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.505 1 2 -5.35096783738364 2835097 C1=CC(=CC=C1C(=O)N)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.171 4 5 0 -5.75257006549904 2835082 CC(=NOC(=O)C1CC12CCC2)C3=CC=C(C=C3)Br 1 3.509 1 2 1.3352484790393 2835079 COC(=O)CCC(=O)N(CCN(CC1=CC=CC=C1)C(=O)CCC(=O)OC)CC2=CC=CC=C2 1 2.286 2 6 0 -19.1210547482457 2835016 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=NC=C3)C4=CC=CC=C4 1 2.345 5 1 -6.56194560394816 2835006 CN1CCC2=CC(=C(C=C2C1C3=CC=CC=C3Cl)OC)OC 1 4.222 1 2 -9.00040173509272 2834991 C1CC2=C(C(=O)C1)C3(C(=O)C4=CC=CC=C4C3(O2)O)O 1 0.764 0 5 0 -7.70849855829598 2834981 CCCCNC(C1=CC=CC=C1)C2=CC=NC=C2 1 3.158 2 0 -2.54256811181469 2834965 C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4 1 0.775 7 4 0 -3.93426805209917 2834934 CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)NC(=O)C(C)(C)C 1 4.362 4 6 0 -16.5803273148144 2834870 C1C2C=CC1C(C2C(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)O 1 2.821 1 3 -1.31035099222112 2834871 COC(=O)C1=CC=C(C=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.348 1 5 0 -6.01561645080661 2834872 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2C3CC(C2C(=O)O)C=C3 1 1.37 2 6 0 -8.10737857684404 2834912 C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CO4 1 5.134 2 1 -4.70267745121606 2834907 CC(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C4=CC=CC=C4 1 4.148 3 1 -11.2816242487576 2834849 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.591 4 5 0 -18.1098073921775 2834848 C1C2C=CC1C(C2C(=O)NC3=CC=CC=C3Br)C(=O)O 1 2.241 1 3 -3.7727558749059 2834833 CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O 1 4.268 1 4 -4.31510673953508 2834831 C1=CC=C2C(=C1)C(=CC(=C2NCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-] 1 2.065 3 6 0 -7.39214644207912 2834828 COC1=CC=C(C=C1)NC2=CC(=O)CC(C2)C3=CC=CC=C3 1 3.513 1 2 -8.15701654267134 2834825 C1C(CC(=O)C=C1NC2=CC=CC=C2)C3=CC=CC=C3 1 3.529 1 1 -8.19373593394879 2834824 C1COCCN1C2=CC(=O)CC(C2)C3=CC=CC=C3 1 1.898 1 2 0 -5.9007905909783 2834823 COC1=CC=CC=C1NC2=CC(=O)CC(C2)C3=CC=CC=C3 1 3.513 1 2 -9.6433078453522 2834813 CC1C(=O)/C(=C(/C)\NCC2=CC=CC=C2)/C(=O)O1 1 1.597 1 3 0 -6.85052746921114 2834812 CC1C(=O)/C(=C(/C)\NC2=CC=CC=C2)/C(=O)O1 1 1.868 1 3 0 -3.99167608684508 2834811 C/C(=C\1/C(=O)COC1=O)/NCC2=CC=CC=C2 1 1.113 1 3 0 -7.20317083447343 2834810 CCC(CO)NC=C1C(=O)CC(CC1=O)(C)C 1 0.531 1 3 0 -9.57190151915658 2834801 CCC1=NOC2=C1C(=NO)CC(C2)C3=CC=CC=C3 1 2.976 2 2 -5.48575581739765 2834799 CCCC(=O)C1=C(CC(CC1=O)CC(C)SCC)N2CCCC2 1 3.563 1 2 -12.9323999862767 2834795 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC(C)(C)C 1 2.425 1 4 -14.4865408759133 2834789 CC1(CC(=O)C(C(=O)C1C(=O)OC)C(=O)C2=CC=CC=C2)C 1 1.983 0 5 0 -2.42175903642763 2834787 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCCCCCC(=O)O 1 2.457 1 6 0 -17.394998631709 2834786 CCOC(=O)C1C(CC(=O)CC1=O)CC(C)SCC 1 1.855 0 4 0 -8.61881633594945 2834783 CCCC1=NNC2=C1C(=O)C(C(C2)(C)C)C(=O)OC 1 2.36 2 3 -3.86923266823775 2834781 CC1=C2C(=NN1)CC(C(C2=O)C(=O)OC)(C)C 1 1.237 2 3 0 -4.6429199467671 2834779 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCC=C 1 2.111 1 4 -15.2175346249878 2834773 CC1=NOC2=C1C(=O)C(C(C2)(C)C)C(=O)OC 1 1.247 1 4 0 -7.98914765798932 2834772 CCCCC1=C(C(=O)C2=C(O1)CC(CC2=O)C3=CC=CC=C3)C 1 4.049 0 3 -6.06686893289921 2834771 CC1=C(OC2=C(C1=O)C(=O)CC(C2)C3=CC=CC=C3)C 1 2.613 0 3 -6.37257851282075 2834770 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=C(C=C2)Br 1 4.097 1 4 -9.07025266252522 2834769 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=C(C=C2)C 1 3.835 1 4 -9.4355916080106 2834767 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)SCC 1 2.854 0 4 -11.5822762960157 2834763 CCCC(=O)C1C(=O)CC(C(C1=O)C2=CC(=NO2)C)(C)C 1 2.123 1 4 -10.3335913674772 2834762 CC1(C(C(=O)C(C(=O)C1Cl)C(=O)C2=CC=CC=C2)Cl)C 1 3.256 0 3 0.828567559182245 2834761 CC1(CC(=O)C(C(=O)C1C(=O)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C 1 1.877 1 7 0 -3.72050925627552 2834756 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCCC2=CC(=C(C=C2)OC)OC 1 3.366 1 6 0 -14.3668121255248 2834755 CC1(CC(=O)C(C(=O)C1Cl)C(=O)C2=CC=CC=C2)C 1 2.703 0 3 -0.614158520596104 2834754 CCCC(=O)C1C(=O)CC(CC1=O)CC(C)SCC 1 2.504 0 3 -8.48427708378749 2834753 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCCC2=CC=CC=C2 1 3.399 1 4 -10.9393189417007 2834750 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=CC3=CC=CC=C32 1 4.257 1 4 -8.9461013609049 2834745 CCCC(=NOCC=C)C1=C(CC(CC1=O)(C)C)N 1 1.954 2 2 0 -13.9750819445556 2834743 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.243 2 6 0 -11.0988700909231 2834742 CCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/N2CCCC2 1 2.491 1 4 -11.6067874212547 2834740 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=C(C=C2)OC 1 3.332 1 5 -9.6797849682453 2834739 CCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NCC2=CC=CC=C2 1 3.078 1 4 -13.2380685790117 2834734 CCCC(=O)C1=C(CC(CC1=O)(C)C)NCCO 1 1.123 1 3 0 -13.5465031604299 2834730 CCCC(=O)C1=C(CC(CC1=O)(C)C)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.411 2 4 -14.4783821748907 2834726 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)N(C)C2=CC=CC=C2 1 3.702 1 4 -8.41809736835311 2834724 CCCCCCNC1=C(C(=O)CC(C1)(C)C)C(=O)CCC 1 3.903 1 2 -16.1595622711152 2834723 CCCCNC1=C(C(=O)CC(C1)(C)C)C(=O)CCC 1 2.991 1 2 -15.9061215103443 2834721 CCCC(=O)C1=C(CC(CC1=O)(C)C)NCCC 1 2.535 1 2 -14.4708944600699 2834720 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=NC=C2 1 2.198 2 4 -9.85288195435085 2834717 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC(C)C 1 2.22 1 4 -13.7586976505621 2834712 CC1(CC(=O)/C(=C\N(C)C)/C(=O)C1C(=O)OC)C 1 0.536 1 4 0 -7.65730743756501 2834711 CC1(CC(=O)/C(=C\NC)/C(=O)C1C(=O)OC)C 1 1.e-003 1 4 0 -6.4394610798016 2834706 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCC2=CC=CC=C2 1 3.078 1 4 -11.3539574321349 2834701 CC1(CC(=O)/C(=C\NC2=CC=CC3=CC=CC=C32)/C(=O)C1C(=O)OC)C 1 2.763 1 4 -6.71521921962367 2834700 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)N2CCCCC2 1 2.947 1 4 -11.6599032690667 2834696 CC1(CC(=O)/C(=C\NC2=CC=CC=C2)/C(=O)C1C(=O)OC)C 1 1.855 1 4 0 -7.82568481901311 2834695 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=CC=C2 1 3.349 1 4 -9.59224574638395 2834693 CCC(C)N/C=C/1\C(=O)CC(C(C1=O)C(=O)OC)(C)C 1 1.25 1 4 0 -10.8404882968579 2834692 CCCCN/C=C/1\C(=O)CC(C(C1=O)C(=O)OC)(C)C 1 1.329 1 4 0 -12.7049818981192 2834688 CCCC1=NC(=NC2=C1C(=O)CC(C2)(C)C)N 1 2.217 3 1 -8.73366631116376 2834687 CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)N 1 1.062 1 4 0 -10.23752706171 2834686 CC1CCCC(N1C(=O)CCSC)C(=O)O 1 1.22 1 3 0 -14.9194752384487 2834685 CC1CCCC(N1C(=O)CCSSCCC(=O)N2C(CCCC2C(=O)O)C)C(=O)O 1 2.236 2 6 0 -12.453604557027 2834684 CC1CCCC(N1C(=O)CCS)C(=O)O 1 1.038 1 3 0 -10.6183170595902 2834681 CC1CCCC(N1)C(=O)OCC2=CC=CC=C2.Cl Cl- 1 2.504 1 2 -4.31113532676165 2834679 CCCCOC(=O)C1CCCC(N1)C.Cl Cl- 1 2.25 1 2 -6.16292108223163 2834675 CN(C)C1=C(C(=NC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C#N.Cl Cl- 1 3.968 4 0 -7.42331583569973 2834674 CN(C)CC1=C(C=CC2=C1C(=CO2)C(C3=C(C=CC(=C3)OC)OC)O)O 1 2.94 1 5 3.64327668178934 2834662 CCCCN1C(=N)C(C(=O)NC1=O)(CC)CC.Cl Cl- 1 2.333 3 2 -7.04434225971179 2834650 CC1(CC(=O)C(=CNC(CCSC)C(=O)O)C(=O)C1)C 1 0.462 1 4 0 -20.5929012158023 2834639 CC1=CC2=C(C=C1)N(C3=C2CCCC3NC(C)C4=CC=CC=C4)CC(=O)OC 1 5.221 2 2 -0.45845916965236 2834638 CC1=CC2=C(C=C1)NC3=C2CCCC3NC(=O)CCl 1 3.47 2 1 -3.26412212081494 2834632 CC1=C(C2=C(O1)C=CC(=C2CN3CCOCC3)O)C(=O)C.Cl Cl- 1 1.538 1 4 0 -0.401808061850254 2834628 CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C(=C(C=C2)O)CN4CCCCC4)[N+](=O)[O-].Cl Cl- 1 4.678 3 4 0 7.12554167277429 2834623 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN(C)C.Cl Cl- 1 4.768 2 3 1.71502622015791 2834619 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=C(C=C3)Br)CSC(=N)N.Br Br- 1 5.63 3 4 0 -2.94110892198254 2834616 CN(C)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O 1 1.971 2 2 0 0.580220814658112 2834613 COC1=CC(=CC(=C1OC)OC)C(=O)NC23CC4CC(C2)CC(C4)C3 1 3.131 1 4 -10.7579163275394 2834599 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC(C)C(=O)O 1 3.619 1 3 -3.02351295380935 2834578 CC1=CC=C(C=C1)C(=O)NC(CC(=O)OC)C2=CC=CC=C2 1 3.091 1 3 -11.5904901541935 2834575 CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=CC=CC=C2 1 2.569 1 4 -14.6495873361921 2834558 CC1=CC=C(C=C1)C(C(Cl)Cl)NC(=O)C2=CC=CC=C2 1 4.245 1 1 -6.13304264049609 2834557 C1=CC=C(C=C1)C(C(Cl)Cl)NC(=O)C2=CC=CC=C2 1 3.759 1 1 -8.24178000799946 2834548 CC(=NNC(=S)N)CCC12CC3CC(C1)CC(C3)C2 1 3.152 3 0 -0.851951385606396 2834538 C1CCC2(CC1)C(=O)N(C(=O)N2)CCS(=O)(=O)OC3=CC=C(C=C3)Br 1 2.929 2 5 0 -6.18922866685513 2834531 CC(=O)C(=NNC1=CC2=C(C=C1)OCCO2)C(=O)C 1 1.293 2 4 0 -4.1469397993308 2834477 C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Br 1 5.031 2 1 -2.01561996176455 2834475 COC1=CC=CC=C1NC(=O)CC2C(=O)NC3=CC=CC=C3N2 1 1.448 3 3 0 -18.8613591363482 2834472 C1COCCN1C2=CC=C(C=C2)NC3CC(=O)N(C3=O)C4=CC=CC=C4 1 2.184 3 3 -7.55033553577077 2834471 C1COCCN1C2CC(=O)N(C2=O)C3=CC=CC=C3Cl 1 1.368 2 3 0 1.11295711024457 2834454 C1=CC=C(C=C1)C2=CC(=NC3=NC=NN23)C4=CC=CC=C4 1 4.134 4 0 -4.13458199246565 2834447 C1=CC=NC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.557 4 4 0 -0.656898185863404 2834446 C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C3C(=O)NC(=O)NC3=O 1 2.108 2 4 -11.0545767367066 2834440 CC1=C2C=C(C=CC2=[N+](C=C1)CC3=CC=CC=C3)OC.[Cl-] Cl- 1 4.687 1 1 5.27080813043737 2834427 CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2C4=CC=C(C=C4)F)C)C(C)C.[Cl-] Cl- 1 6.963 2 2 0.89312149099803 2834425 CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2C4=CC=C(C=C4)Cl)C)C(C)C.[Cl-] Cl- 1 7.422 2 2 2.0032431561196 2834419 CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2COC4=CC=CC=C4)C)C(C)C.[Cl-] Cl- 1 6.593 2 3 -1.30398740396511 2834416 CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2C4=CC=C(C=C4)OC)C)C(C)C.[Cl-] Cl- 1 6.741 2 3 -0.160678794976316 2834407 COC1CCCC2=CC(=C(C(=C2C1=O)O)OC)OC 1 2.154 0 5 -2.26949985794691 2834405 C1=CC=C(C=C1)C(=NNC2=CC=CC=C2)CC3=NC4=CC=CC=C4N3 1 5.05 4 0 -0.37159228723088 2834398 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)NCCCO 1 0.353 2 4 0 -8.20392679274921 2834396 C1COCCN1C(=O)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 0.724 2 4 0 -8.23000483706837 2834394 COC1=CC=CC=C1NC(=O)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.872 2 4 -10.7771263350127 2834393 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCC(=O)NCCCO 1 1.835 2 4 0 -11.4063227357479 2834392 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCC(=O)NCCO 1 1.772 2 4 0 -12.5098804135362 2834391 C1COCCN1C(=O)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.205 2 4 -9.91247231957484 2834390 CCOC(=O)CCCCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O 1 3.308 1 4 -9.42202895605105 2834389 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 1 1.627 2 4 0 -17.3890799699033 2834367 CCC1=CC=C(C=C1)OCC(CNC(C)(C)C)O.Cl Cl- 1 2.779 1 2 -4.55177241652615 2834357 CC1CCN(CC1)CC(COCCC23CC4CC(C2)CC(C4)C3)O.Cl Cl- 1 3.643 1 2 -0.943716332005503 2834348 C1C2CC3(CC1CC(C2)(C3)O)C4=CC=C(C=C4)N 1 2.276 1 1 4.11733906437085 2834336 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)N)C)C 1 2.342 1 1 -4.17149414598604 2834334 CC(C)(C)NC(=O)NC12CC3CC(C1)CC(C3)C2 1 2.443 2 1 -10.9134606487839 2834325 CCNC1=NC(=CS1)C23CC4CC(C2)CC(C4)C3.Cl Cl- 1 3.35 2 0 7.15208887302482 2834307 C1COCCN1C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2Cl 1 3.326 2 2 -13.9521431548478 2834305 CNC1=C(N=C(O1)C2=CC=CC=C2Cl)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 5.936 2 2 1.13859072883074 2834304 CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NCC2=CC=CC=C2 1 4.507 2 1 -11.0698643000681 2834294 CN1C=NC(=C1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.327 5 5 0 -6.15580672143475 2834241 CCC1=CC=C(C=C1)OC(=O)NC2=CC=CC=C2 1 4.112 1 2 -1.01732035059214 2834224 CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=C(C=C3)Cl)OCCO2 1 2.804 1 4 -9.52336292047138 2834218 CN(C)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl Cl- 1 3.94 2 1 5.37724183512931 2834207 C1=CC=C(C=C1)C(=NO)CC2=CC=CC=N2 1 2.614 2 1 -0.513129327920971 2834199 CCN(CC)CC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2)C=C1.Cl Cl- 1 3.805 3 1 -6.52632668155532 2834195 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(C=C3)OC 1 2.735 4 5 0 -4.49935672135488 2834193 COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 2.546 4 4 0 -11.2260162811578 2834189 CC1=CC2=C(C=C1)NCCC2=O 1 1.799 1 1 0 -2.4754821102199 2834175 CC1(C(=NC(N1O)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C 1 4.387 2 1 6.25917999956587 2834165 CC1(C(=NC(N1O)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C 1 3.623 2 2 5.48087484493635 2834164 CC1(C(=NC(N1O)C2=CC=CC=C2)C3=CC=CC=C3)C 1 3.639 2 1 5.14845590777202 2834122 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OC)OC)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.753 4 4 0 -15.849845073142 2834119 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.68 5 4 0 -14.0298730015256 2834113 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CC=C3Br)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 4.534 4 2 -11.2618994474592 2834112 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)Br)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 4.534 4 2 -11.570136268683 2834110 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.991 4 2 -11.2235981887032 2834096 CCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C 1 2.172 1 4 -17.204727823908 2834080 CC(C)OC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN4CCOCC4)C=C1.Cl Cl- 1 3.765 3 4 0 -9.86549465565475 2834077 CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)C(C)N4CCCC4)C=C1.Cl Cl- 1 4.397 3 3 -10.7656001503787 2834076 CCN(CC)CCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OC.Cl Cl- 1 4.049 3 3 -8.80515497682859 2834075 C1CC2=CC=CC=C2NC3=C1C=CC(=C3)N 1 3.234 2 0 1.33934858907153 2834034 CC1=C(C(CCC1)(C)C)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 4.457 4 4 0 5.13102692264029 2834025 CC1(CC(=NNC(=O)C2CC23CCC3)CC(=O)C1)C 1 1.501 2 2 0 -5.39747460795739 2834024 CC1(CC(=NNC(=O)C2C3C2CCCC3)CC(=O)C1)C 1 2.002 2 2 -8.27450881909262 2834019 CCCCC(=NNC(=O)NC1=CC=CC=C1)C 1 2.477 3 1 -6.37738171095015 2834018 CC(C)CC(=NNC(=O)NC1=CC=CC=C1)C 1 2.273 3 1 -6.62077041218083 2834003 CCCOC1=CC=C(C=C1)NP(=O)(C)OC2=CC=C(C=C2)Cl 1 3.894 1 3 7.06202638782781 2834002 CC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)N 1 2.284 3 1 -1.14153597438478 2833958 CC1(C(=NO)CC(O1)C2=CC=C(C=C2)OC)C 1 2.025 1 3 6.80135899792501 2833952 CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CCCO 1 1.441 4 5 0 -4.35192941703818 2833945 CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2F 1 3.204 1 1 -10.0804223108466 2833933 CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCC4 1 4.021 2 2 2.15547746713739 2833927 CC(=O)N(C1=CC=C(C=C1)C(=O)O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCOCC4 1 1.453 2 6 0 -4.45669743664682 2833899 CC1C2CC(C1(C)C)C(C2=NO)CN(C)C 1 2.027 2 1 0.986907694207002 2833834 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1 4.334 5 7 0 -3.15018787043506 2833809 C1=CC=C2C(=C1)NC(=O)C(=N2)C(C(F)F)(F)F 1 1.919 2 1 0 -8.62147993545339 2833794 CN(C)C1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)N(C)C 1 3.132 2 2 -1.37845615258915 2833784 CC1=C([N+](=O)C2=C(N1[O-])C(CCC2OC(=O)C)OC(=O)C)C 1 -0.8 2 6 0 -5.87459150138574 2833782 CC1=C([N+](=O)C2=C(N1[O-])C(CCC2Br)Br)CBr 1 1.601 2 2 0 -1.11306938615385 2833762 CCOC1=CC=C(C=C1)C2C(N3C=C(C=CC3C2(C#N)C#N)C#N)C(=O)C4CC4 1 2.408 4 2 -9.33954278821365 2833756 C1CCC2(CC1)C(=C(NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)N)C#N 1 3.45 5 1 -15.3364888873985 2833754 CCC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SC)C#N 1 2.724 2 1 -22.0983085902826 2833688 COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SC(C3=CC=CC=C3)C(=O)N)C4=CC=CC=C4 1 5.66 3 2 -8.74993442663665 2833681 CCSC1=C(C2(CCCCC2)C(C(=O)N1)C#N)C#N 1 2.42 3 1 -13.9000324240385 2833680 C=CCSC1=C(C2(CCCCC2)C(C(=O)N1)C#N)C#N 1 2.688 3 1 -15.8054892415142 2833665 CC1=C(C(=C(C(=S)N1)C#N)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 3.346 3 1 -8.44960704490006 2833663 CC1=C(C(C(=C(N1)SCC(=O)OC(C)C)C#N)C2=CC=CO2)C(=O)NC3=CC=CC=C3 1 3.152 3 4 0 -37.5489502048256 2833639 CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCOCC3)C(=O)C 1 2.648 3 2 -7.16557297356863 2833612 COC1=CC=CC=C1N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Cl 1 3.293 3 3 6.641393056845 2833609 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)Cl 1 3.642 3 3 7.48156237038294 2833608 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=C4OC 1 2.961 3 4 0 3.71124795404106 2833607 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=C4OC 1 2.612 3 4 0 4.57520100602348 2833606 COC1=CC=CC=C1N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=CC=C4)Cl 1 3.293 3 3 8.66830066324932 2833605 COC1=CC=CC=C1N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)Cl 1 3.293 3 3 5.76229051351084 2833604 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)Cl 1 3.293 3 3 8.24778552209096 2833602 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)Cl 1 3.796 3 2 10.5445145158275 2833597 C1C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)SC(=NC3=CC=CC=C3)NC4=CC=CC=C4 1 5.349 3 2 5.35655466758867 2833596 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC4=CC=CC=C4 1 5.171 3 2 3.29401692866513 2833595 C1C(C(=O)N(C1=O)C2=CC=CC3=CC=CC=C32)SC(=NC4=CC=CC=C4)NC5=CC=CC=C5 1 5.593 3 2 1.99342375136041 2833590 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)N 1 3.388 3 2 2.61073127926234 2833588 CCNC(=NCC)SC1CC(=O)N(C1=O)C2=CC=CC=C2 1 2.229 3 2 -5.23066597659311 2833587 CCNC(=NCC)SC1CC(=O)N(C1=O)C2=CC=C(C=C2)OC 1 2.212 3 3 -5.38232899059502 2833569 CCOC(=O)CNC1CC(=O)N(C1=O)C2=CC=C(C=C2)Br 1 1.284 2 4 0 -9.79087383523755 2833563 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F 1 3.587 3 2 11.8005226096375 2833561 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.872 4 5 0 3.56516589243889 2833555 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 2.851 3 2 7.28932687097131 2833553 C1CN(CCN1CC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=CC=C4 1 2.556 3 2 6.02201410444176 2833551 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.183 3 3 6.37144070526138 2833547 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC(=CC=C3)Cl)C4=CC=CC=C4 1 3.309 3 2 10.1543718574701 2833545 COC1=CC=CC=C1N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.523 4 5 0 1.84589403556679 2833543 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C(=O)C4=CC=CC=C4 1 2.383 3 3 1.12738373256124 2833540 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=C4 1 2.629 3 3 6.16448363636192 2833536 C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 3.309 3 2 8.39944853609287 2833532 CC1=C(CC(C(C1)C(=O)C2=CC=C(C=C2)C)C(=O)O)C 1 3.815 0 3 -0.65657162673468 2833530 C1CCC2=C3CCCCC3C(C(C2C1)C(=O)C4=CC=CC=C4)C(=O)O 1 4.914 0 3 -5.07944696969339 2833496 C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-] 1 2.626 3 7 0 -12.0115926166943 2833489 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.626 3 7 0 -11.2081248172082 2833465 C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=O)C4=CC=NC=C4 1 2.967 2 2 -6.14201527813428 2833410 COC1=CC=C(C=C1)C2C3=C(C4=C(CC3)C=C(C=C4)OC)NC(=S)N2 1 4.3 2 2 -12.7268744794906 2833394 CCC1(CC(CCO1)C2=CSC(=N2)N)C 1 1.826 2 1 0 1.26998333037892 2833379 CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)CC34CC5CC(C3)CC(C5)C4.[Cl-] Cl- 1 6.048 1 2 1.68908709808412 2833372 CC(C)(C)NC1=[N+](C(=CS1)C2=CC=CC=C2)C3=CC=CC=C3.[Br-] Br- 1 4.915 2 0 -7.07796586301574 2833371 CCCCCCCC(=O)NC(C(Cl)(Cl)Cl)OC1=CC=CC=C1[N+](=O)[O-] 1 5.645 2 4 -16.6887497346126 2833369 CCOC(=O)CN/C(=C(\C#N)/C(=O)N)/C 1 -0.805 3 3 0 -17.0766521973288 2833362 CC(C)OC(=O)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] 1 2.43 3 6 0 -14.625959978763 2833361 C#CCOC(=O)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] 1 2.896 3 6 0 -15.4103344100626 2833314 CC1=C(C(=NC(=N1)NN=CC2=CC=CC=C2)N(C)C3=CC=CC=C3)[N+](=O)[O-] 1 3.388 6 2 0 -2.41250471375186 2833321 CC1=NON=C1OCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.518 4 4 0 -5.34528173330886 2833359 CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)C34CC5CC(C3)CC(C5)(C4)C.[Cl-] Cl- 1 6.219 1 2 2.55471557113578 2833355 CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)C34CC5CC(C3)CC(C5)C4.[Cl-] Cl- 1 6.013 1 2 3.05318338975052 2833351 CC1=C(SC=N1)CCOC(=O)C23CC4CC(C2)CC(C4)C3 1 3.224 1 2 -8.93303011541796 2833346 CC1=CC=C(C=C1)[N+]2=C(SC=C2C3=CC=CC=C3)NC(=O)C.[Br-] Br- 1 4.254 2 1 -7.48028812056439 2833340 COC1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=CC=C3)NC4=CC=CC=C4.[Br-] Br- 1 5.551 2 1 2.58135181957598 2833210 CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C=O 1 3.817 1 1 -1.73620437714959 2833207 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC(=C2)C=O 1 2.972 0 6 -12.4412208365572 2833200 CC1=CC(=C(C=C1)OCC(=O)NN=C(C)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-] 1 2.665 3 6 0 -10.9161409110148 2833152 C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC=C(O3)C4=CC=C(C=C4)Br)N5CCOCC5 1 2.903 7 3 0 0.351400895728561 2833089 C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC=CO2)Cl 1 3.825 2 2 -6.91746071970156 2833078 C1=CC=C2C(=C1)C(NC2=O)CC(=O)N 1 -7.8e-002 2 2 0 -8.66888324247467 2833075 CC1(CC(CCO1)(C#N)N2CCOCC2)C 1 0.231 2 2 0 -7.91790809744159 2833042 CCC[N+]1(CCOCC1)CC#CC2(CCCCC2)O.[I-] I- 1 1.291 1 2 0 -5.47178165691117 2833039 CC1=CC(=C(C(=C1)C)SCCC2=CC=NC=C2)C 1 4.584 1 0 1.78024670097456 2833023 CC1(CC(=O)C(C(=O)C1)C(C2=CC(=CC=C2)O)C3=C(CC(CC3=O)(C)C)O)C 1 2.97 0 5 -0.902482468530944 2832954 C1CC2(C1)CC2C(=O)NN=CC3=CC(=CC=C3)Cl 1 2.983 2 1 2.91572846316139 2832944 C1=CC=C(C=C1)CN2C=CN=C2SC3=CC=CC=C3[N+](=O)[O-] 1 4.061 3 2 -6.03736920428634 2832939 CC1=CC=C(C=C1)NC(=O)CCC(=O)OCC(C(F)F)(F)F 1 2.512 1 3 -13.6952931763215 2832907 CC1C(C(C(C(O1)NC2=CC=CC3=CC=CC=C32)O)O)O 1 1.279 1 4 0 -7.94600813524222 2832905 C1=CC(=CC(=C1)[N+](=O)[O-])N=NNC2=CC(=CC(=C2)C(=O)O)[N+](=O)[O-] 1 3.003 5 6 0 2.60273170514343 2832904 C1=CC(=CC=C1NC2C(C(C(O2)C(CO)O)O)O)Br 1 0.231 1 5 0 -6.78463428724226 2832895 CC(=O)NC(=O)NC1CSCC1OC(=O)C 1 -0.517 2 4 0 -7.87485846097884 2832884 C1=CC=C2C(=C1)C3(C(=C(OC4=C3C(=O)NC(=S)N4)N)C#N)C(=O)N2 1 0.43 5 3 0 -10.6926773440345 2832878 C1=CC=C(C=C1)C(CC(=O)C2=CC=CS2)(C(C(F)F)(F)F)O 1 3.572 0 2 -6.82799391916542 2832877 C1=CC=C(C=C1)C(CC(=O)C2=CC=CS2)(C(F)(F)F)O 1 3.575 0 2 -5.45518123212945 2832853 CC1=CCC2CC1C(OC2)C3=C[N+](=CC=C3)CC4=CC=CC=C4.[Cl-] Cl- 1 4.492 1 1 1.25406769926646 2832800 CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(S2)Br)C3=C(CC(CC3=O)(C)C)O)C 1 3.523 0 4 1.56714424921189 2832795 C1CC2(C1)CC2C(=O)NN=CC3=CC=C(C=C3)Cl 1 2.983 2 1 1.75242453901969 2832792 CC1(CC(=O)C(C(=O)C1)C(C2=CC(=C(C(=C2)OC)OC)OC)C3=C(CC(CC3=O)(C)C)O)C 1 3.163 0 7 0 -4.48230374419144 2832780 COC1=CC=C(C=C1)CC2CCOC2=O 1 2.211 0 3 -1.64714961184853 2832774 CCCCCCCC(CC(CC1CCCCC1)C(=O)NN)O 1 4.379 2 2 -10.284448041108 2832767 COC(=O)N1C(C1C2=CC=CC=C2)C3=CC=CC=C3 1 3.265 1 2 -1.21705334265401 2832763 C[N+]1(CCCCC1)C2CCC3CCCC2C3O.[I-] I- 1 1.232 1 1 0 -3.44399128560529 2832757 CC1=CCC(C1(C)C)CC2=NC3=CC=CC=C3O2 1 3.991 1 1 1.66830507747952 2832751 CNC(=O)NC1CCCCC2=C1C=CS2 1 1.957 2 1 0 -9.09095010255879 2832749 CCCC(CCCCCC(=O)O)N 1 -0.35 1 2 0 -11.7526421073541 2832746 CCCCCCC(CC(=O)O)N 1 -0.671 1 2 0 -8.32955283434329 2832740 CNC(=O)NC1CCCC2=CC=CC=C12 1 1.968 2 1 0 -5.81832513905162 2832739 C1CC2=C(C=CS2)NC(=O)CC1C3=CC=CC=C3 1 3.004 1 1 -4.57930484216873 2832737 CCCCCCC1CC(=O)NC(=O)N1 1 1.814 2 2 0 -10.3448033275392 2832735 CC1=CC(=C(S1)CCCN)C(=O)O.Cl Cl- 1 -1.459 1 2 0 -2.64224036838747 2832720 CCCCCC1C(NC(=O)N1)CCCCCC(=O)O 1 2.906 2 3 -13.2921627090834 2832717 CC(=O)NC(CCCCCC(=O)OC)CCC(=O)OC 1 1.324 1 5 0 -15.7859579116808 2832715 CN1C2C=CC(C1=O)C3C2C(=O)N(C3=O)C4=CC=CC=C4 1 0.371 2 3 0 0.644553871404722 2832711 CC1C=CC(C(C1C(=O)O)C(=O)O)C 1 1.165 0 4 0 -3.65516286886769 2832697 CC1=CC2=C(C=C1)N=C(N2)C(OC(F)(F)F)F 1 4.54 2 1 3.8177650925682 2832686 CC(C(=C(Cl)Cl)Cl)OC(=O)C1CC=CCC1C(=O)N 1 2.363 1 3 -2.86914890784879 2832668 C1CC(OC1)COC(=O)C2CC=CCC2C(=O)NC3=CC=C(C=C3)Br 1 3.149 1 4 -8.44354207915658 2832666 C1CC(OC1)COC(=O)C2CC=CCC2C(=O)NC3=CC=CC=C3 1 2.401 1 4 -8.96553516301531 2832645 COC1=CC=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)OCC3=CC(=CC=C3)Br 1 4.982 2 3 -5.06257413598675 2832608 COC1=CC=CC=C1N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.834 3 3 4.65216884838928 2832607 CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)F)C 1 3.823 3 2 6.50973912926115 2832584 CC(=NNC(=O)CSCC1=CC(=CC=C1)Br)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.707 3 3 -13.0452997085029 2832525 CC(=O)N(C1=CC=CC2=C1C=CC=C2N(C(=O)C)C(=O)C)C(=O)C 1 0.959 2 4 0 -5.18624452310685 2832509 C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)C3=NC=C(C=C3)[N+](=O)[O-] 1 1.616 4 6 0 -6.69306120860607 2832501 C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.818 4 8 0 -9.15446864504077 2832472 C1=CC=C2C(=C1)C(=O)NC(O2)C3=CC=C(C=C3)Br 1 3.371 1 2 -1.17981690855287 2832463 C1CC(OC1)CNC(=O)C(=O)NN=CC2=CC3=C(C=C2)OCO3 1 0.499 3 5 0 -16.2328719319789 2832453 CC(=NNC(=O)C1=CC=CC=C1O)C2=CC=C(C=C2)N3C(=O)C4CCCCC4C3=O 1 3.047 3 4 0 -6.70991773360427 2832452 COC(=O)C1=CC=C(C=C1)C=NNC2=NC(=CS2)C3=CC=CC=C3 1 3.611 3 2 -0.389114696630462 2832443 C1C2C3C(C(C1=O)C4=CC=CC=C24)C(=O)N(C3=O)CC5=CC=CC=C5 1 1.988 1 3 0 -6.39925112450735 2832441 CC1=CC=C(C=C1)N2C(=O)C3C4CC(=O)C(C3C2=O)C5=CC=CC=C45 1 2.468 1 3 -3.78146551949733 2832430 CCCC(=NNC(=O)C1CC1)C2=CC=C(C=C2)Br 1 3.628 2 1 -9.46493744565566 2832419 CC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C45CC5 1 2.259 1 2 -1.25120791795271 2832414 C1=CC=C(C=C1)NC(=O)C2C(C3C4=CC=CC=C4C2C5=CC=CC=C35)C(=O)O 1 3.605 1 3 -5.67754010692603 2832413 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=C(C=C(C=C5)Cl)Cl 1 2.404 2 3 -5.29284655900372 2832411 C1C2C1C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC(=CC=C5)Br 1 1.824 2 3 0 -9.04059124173572 2832410 CC1=CC=C(C=C1)C(=O)NN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 1 1.562 2 3 0 -9.48246155625848 2832401 C1C(C1(Cl)Cl)(C2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3 1 3.722 1 1 -5.63239531161378 2832400 C1C(C1(Cl)Cl)(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3Cl 1 4.059 1 1 -2.56240500682171 2832399 CC1=C(C=C(C=C1)NC(=O)C2(CC2(Cl)Cl)C3=CC=CC=C3)C 1 4.367 1 1 -2.76887950141392 2832391 CC(=NNC(=O)CSCC1=CC=CC=C1Br)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.707 3 3 -12.168678258411 2832357 COC(=O)C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2 1 2.464 1 3 -16.972819353375 2832347 COC1=CC=C(C=C1)OCCNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 2.492 2 6 0 -9.95700698648304 2853002 C1CC(OC1)CNC(=O)COC2=CC=CC=C2 1 1.232 1 3 0 -13.3811580774781 2852993 CC1=CC(=CC(=C1)NC(=O)C2CC3CCC2C3)C 1 3.724 1 1 0.205307124225834 2852981 CC1=CC=C(C=C1)NC(=O)C2=C(NC(=O)NC2C3=C(C=CC(=C3)OC)OC)C 1 2.447 3 4 0 -29.8305091132839 2852978 C1OC2=C(O1)C=C(C=C2)C=NNC3=NC4=CC=CC=C4N3 1 2.636 4 2 2.61738171770255 2852966 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC(=O)C3=CC=[NH+]C=C3.[Cl-] Cl- 1 3.412 3 2 -7.56549719873973 2852964 COC1=CC=C(C=C1)NC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O 1 1.948 2 5 0 -9.31156990757592 2852962 C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)NCC3=CC=CO3 1 1.573 2 3 0 -5.40445246955225 2852956 C1CN=C2N(C1)C3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].Br Br- 1 2.396 4 3 0 -12.8486231881999 2852943 C(CO)NC(=O)C(C(F)(F)F)(OC(C(C(C(=O)NCCO)(F)F)(F)F)(F)F)F 1 0.827 2 5 0 -6.55700746268012 2852940 CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4=NNN=N4)C 1 2.288 5 1 -6.18941276273625 2852936 COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CC=CC=C3 1 2.94 4 2 -10.2863918211311 2852917 CCCCNC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 3.858 3 6 0 -13.9853582914372 2852913 CCC(C(=O)N1CCN(CC1)C(=O)C(CC)OC2=CC=CC=C2)OC3=CC=CC=C3 1 3.811 2 4 -8.20731137417294 2852911 CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC3=C(C=C2)OCCO3 1 3.388 2 4 -5.34306372847781 2852905 C1CC(OC1)CNC(=O)C2=CC=C(O2)Br 1 1.36 1 3 0 -12.5982961178864 2852899 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C(\C=O)/C3=NC4=CC=CC=C4O3)OC 1 2.977 5 6 0 -12.1780970104883 2852893 CCC1(NC(=O)C2=CC=CC=C2O1)CC3=CC=CC=C3 1 3.278 1 2 -1.21020222870228 2852891 CNC1=NC2=CC=CC=C2N1CC(=O)C3=CC=CC=C3.Br Br- 1 2.685 3 1 -7.08019031577153 2852888 CC(=NNC(=O)CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC 1 3.176 3 5 0 -16.0762905964037 2852885 COC1=CC=CC(=C1OC)C=NNC2=NC3=CC=CC=C3N2 1 2.836 4 2 3.68732492590177 2852882 CCSC1=NN=C(S1)NC(=O)COC2=CC=CC=C2 1 2.356 3 2 -15.3992201966131 2852872 CCCCC1=CC=C(C=C1)NC(=O)C2=NC=CN=C2 1 2.596 3 1 -8.210757150089 2852820 C1=CC=C(C=C1)C(C(=O)NN=CC2=CC=CO2)O 1 1.461 2 3 0 -8.37223796735958 2852819 COC1=CC(=C(C=C1NC(=O)C2CC3CCC2C3)OC)Cl 1 3.384 1 3 -4.76270468954694 2852817 CCCCCCCN1C2=CC=CC=C2N3C1=NCCC3.Cl Cl- 1 3.943 3 0 -7.77779015883204 2852810 CC1CCCCC1NCC2=C(C=C(C=C2)OC)OC 1 3.512 1 2 -2.92010542288049 2852795 CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC=N2 1 2.956 2 1 -6.67225847598175 2852793 C1COCCN1C2=CC(=C(C=C2C=NNC(=O)C3=CN=CC=C3)[N+](=O)[O-])N4CCOCC4 1 1.127 6 5 0 -9.26049129974099 2852770 C1CN=C2N(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)Cl.Cl Cl- 1 3.494 3 0 -3.61791372488871 2852769 COC1=CC=C(C=C1)NC2CC(=O)N(C2=O)CCC3=CC=CC=C3 1 2.646 2 3 -7.33556988448811 2852768 CC1(CC(C2=CC=CC=C2N1C(=O)C3CCCO3)(C)C4=CC=CC=C4)C 1 4.092 1 2 -18.0069325077796 2852764 C1CC2CC1CC2C(=O)NC3=CC(=C(C=C3)F)Cl 1 3.622 1 1 2.5679679315243 2852762 CC(=O)NC(CCCN1C(=O)C2=CC=CC=C2C1=O)(C3=NN(N=N3)C)C(=O)OC 1 0.243 6 5 0 -12.7375935518655 2852753 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NCCN(C)C)C)C.Cl Cl- 1 2.686 2 1 -7.649544946913 2852751 CC1=CC=CC=C1C(=O)NN2CCOCC2 1 0.926 2 2 0 -10.2323733458448 2852749 CC1CCC2=C(C1)SC(=C2C(=O)N)N 1 1.507 2 1 0 -4.19830464178887 2852741 CC1=CC=C(O1)C=NNC(=O)C(C)OC2=CC=CC3=CC=CC=C32 1 3.451 2 3 -6.33956606347131 2852738 CC1=C(C(=CC=C1)Cl)OCCCCN2C=CN=C2 1 3.348 2 1 5.11755156112408 2852724 C1=CC=C(C=C1)C2=CSC(=N2)NN.Cl Cl- 1 1.412 3 0 0 6.03978681823998 2852720 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3CC3 1 1.285 2 2 0 -10.0407661839496 2852712 C1=CC=C(C=C1)C(C2=CC=CC=C2F)NC(=O)N 1 2.565 2 1 -7.10330460833218 2852681 CC1=CC(=CC(=C1Cl)C)OCCCN2C=CN=C2 1 3.254 2 1 3.56589341387066 2852673 CC(C=NNC(=O)C1=CN=CC=C1)C2=CC=CC=C2 1 1.922 3 1 0 -8.62844216701914 2852668 CCOC(=O)CCNCC1=CC(=C(C=C1)OC)OC.Cl Cl- 1 1.638 1 4 0 -10.6661441594484 2852643 CCCCCCCC1(NC(=O)N(N1)C2=CC=CC=C2)C 1 3.512 3 1 1.57340483901832 2852625 CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC3=CC=CC=C32 1 4.511 2 2 0.650749804092749 2852608 C1CS(=O)(=O)CC1NC(=O)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 1.82 2 5 0 -16.5586863574905 2852603 CCCCCCCCC(=O)NN=C(C)C1=CC=CO1 1 3.798 2 2 -8.60878837080201 2852587 CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C 1 2.572 3 4 0 -12.3440446653782 2852577 C1CN2CCC1C(=NNC(=O)C3=CC=C(C=C3)N)C2.Cl Cl- 1 0.555 4 1 0 -2.55580767838462 2852574 CCOC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)[N+](=O)[O-] 1 2.236 2 5 0 -6.68093986729813 2852569 CC(C)C1=CC=C(C=C1)NC(=O)C2CC3CCC2C3 1 3.946 1 1 0.952964736725622 2852555 C1C(OC2=CC=CC=C2O1)CNCC3=CC=CC=C3 1 2.83 1 2 1.15992048722973 2852529 CC(=NNC(=O)C1=CC=CC=N1)C23CC4CC(C2)CC(C4)C3 1 2.823 3 1 -5.46081634211294 2852501 C1=CC=C(C=C1)NCC(COC2=CC=C(C=C2)OCC(CNC3=CC=CC=C3)O)O 1 3.69 2 4 -4.30978837225981 2852497 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC4=NNN=N4)C)C 1 2.494 5 1 -8.53022062942856 2852493 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])NCCCO.Br Br- 1 2.102 4 4 0 -5.86243663827368 2852445 CCOC(=O)C1=CC2=C(CC(CC2=O)(C)C)N(C1=O)C3=CC=CC=C3 1 2.648 1 4 -17.3242856836414 2852386 CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O 1 1.423 1 4 0 -8.58008994508676 2852359 CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)Cl.Br Br- 1 5.076 2 0 5.73422838443575 2852357 CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3)O)OC)C 1 3.51 3 3 -25.0132932405526 2852353 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NCCN3CCOCC3 1 2.739 3 3 -17.1191076849419 2852346 COC1=CC=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)Cl)CC(=O)O 1 3.394 1 4 -6.06353196463803 2852336 CN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CC=C3.Br Br- 1 2.415 3 1 -5.94456800093938 2852332 C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)Br 1 3.204 2 3 -9.20729536676822 2852313 CCC1=CC=C(C=C1)OCCCCCN2C=CN=C2 1 3.596 2 1 3.45387789024137 2852298 CC1=C(SC=[N+]1CC(=O)OC23CC4CC(C2)CC(C4)C3)CCO.[Cl-] Cl- 1 3.345 1 3 -0.435877384808158 2852252 CC1=C(C(CC(=O)N1)C2=CC(=C(C=C2)F)Br)C(=O)OC 1 2.266 1 3 -17.275374408502 2852244 C1=CC=C(C=C1)C(C(=O)NN=CC2=CC=CS2)O 1 2.019 2 2 -9.37229302281653 2852237 CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=C(C=CC(=C2)OC)OC 1 3.57 2 4 -2.7769998329328 2852231 COC1=CC2=C(C=C1)OC(CC2=O)(C(F)F)O 1 1.623 0 4 0 -2.92640734799891 2852221 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=CS3)NCCO.Br Br- 1 2.099 3 2 -7.51832668154886 2852203 COC1=C(C=CC(=C1)C#CC#CCN2CCCCC2)O.Cl Cl- 1 3.743 1 2 5.2597438541877 2852202 C1CCC(C1)(CNCCC#N)C2=CC=CC=C2.Cl Cl- 1 2.801 2 0 -11.9204747725342 2852189 CN1C2=C(C=[N+](C=C2)CC(=O)C3=CC=C(C=C3)OC)N=C1C4=CC(=C(C=C4OC)OC)OC.[Br-] Br- 1 4.271 3 5 0 0.319954238647342 2852174 C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)NC(=O)N)Cl 1 3.688 2 1 -4.63092871942171 2852165 CC(CCC1=CC=CC=C1)NCC(C2=CC(=CC=C2)[N+](=O)[O-])O.Cl Cl- 1 3.489 2 3 -2.85300141152096 2852160 CC1=C(C(CC(=O)N1)C2=C(C(=CC=C2)Cl)Cl)C(=O)OC 1 2.641 1 3 -17.3333008364448 2852152 CC1=CC=C(C=C1)C=NNC(=S)NC2CCS(=O)(=O)C2 1 2.225 3 2 -13.3742280978348 2852124 CN1C2=C(C=[N+](C=C2)CC(=O)C3=CC=CC=C3)N=C1C4=CC(=C(C=C4OC)OC)OC.[Br-] Br- 1 4.287 3 4 0 -0.231499968627301 2852121 CC(=NNC(=O)C1=CN=CC=C1)C2=CC=C(C=C2)OC3C(OCCO3)OC4=CC=C(C=C4)C(=NNC(=O)C5=CN=CC=C5)C 1 2.768 6 6 0 -14.5063622442071 2852109 CCC(C1=CC=CC=C1)C(=O)NC2=CC(=CC(=N2)C)C 1 3.725 2 1 -6.89338502594355 2832325 CCOC(=O)C(=C1C2=CC=CC=C2C(=O)O1)C(=O)OCC 1 1.972 0 6 0 -3.2324584621158 2832313 COC1=C(C=C(C=C1)CCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)OC 1 2.114 1 4 -10.0049124689067 2832307 CC1=C(C(=CC=C1)NC(=O)C2C(C2(Cl)Cl)C3=CC=CC=C3)C 1 4.398 1 1 2.14256730729552 2832306 COC1=CC=CC(=C1)NC(=O)C2C(C2(Cl)Cl)C3=CC=CC=C3 1 3.41 1 2 0.442122377497715 2832305 C1=CC=C(C=C1)C2C(C2(Cl)Cl)C(=O)NC3=CC=CC=C3Cl 1 4.09 1 1 0.66901632603105 2832304 C1=CC=C(C=C1)C2C(C2(Cl)Cl)C(=O)NC3=CC=CC=C3 1 3.426 1 1 0.146091818057378 2832296 COC1=CC=C(C=C1)C(=O)NCC23C=CC(O2)C4C3C(=O)N(C4=O)CC5=CC=CC=C5 1 1.547 2 5 0 6.01086845549143 2832294 CC(C)(C)OC(=O)NCC12C=CC(O1)C3C2C(=O)N(C3=O)CC4=CC=CC=C4 1 1.474 2 5 0 5.32221018831559 2832292 CC(C)(C)C(=O)NCC12C=CC(O1)C3C2C(=O)N(C3=O)C4=CC=CC=C4 1 1.438 2 4 0 6.59872120325982 2852104 CCCCCCNC(=O)CSC1=NC=CN1CC2=CC=CC=C2 1 3.891 3 1 -18.5339875421257 2852094 CC(=O)NC(C(C(C(C(F)F)(F)F)(F)F)(F)F)N1CCCCC1 1 2.617 2 1 -10.9006870275828 2832262 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=CS3)Br 1 2.481 4 1 -3.13560660887628 2832255 CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C(=O)OC)C)C 1 1.405 1 5 0 -23.5609804623496 2832202 C1CN2CCC1C(C2)C(=O)O 1 -2.638 1 2 0 -0.572483425243452 2832189 C1CC(OC1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 3.671 0 2 -5.90636283426054 2851988 CCC1=NC=C(N1C)C(C2=C(C(=CC=C2)OC)OC)O 1 2.01 2 3 -4.77479858722086 2851975 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CCS(=O)(=O)C2 1 1.946 1 3 0 -9.93050573672893 2851974 C1COCCN1C2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.018 4 5 0 -1.8658861433005 2851971 CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2NCCO.Br Br- 1 2.632 3 2 -4.24556414466914 2851959 C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)NN=CC4=CC(=CC=C4)O 1 3.016 6 1 0 4.89381195531426 2851956 CC1=CC(=C(C=C1)C)S(=O)(=O)NCCCN2C=CN=C2 1 1.517 3 2 0 -4.32094340764918 2832161 CC(=O)NC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)N2)C4=CC=C(C=C4)NC(=O)C 1 2.084 3 3 -5.72983099384154 2832130 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C5=NC6=C(O5)C=C(C=C6)N7C(=O)C8C9CC(C8C7=O)C=C9 1 2.995 3 5 0 9.14408919753262 2851938 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)SCC(=O)NC3=CC=C(C=C3)Cl 1 2.421 2 5 0 -7.36877042877924 2851903 CC(=O)OC1=CC2=C(C=C1)C(CC(O2)(C)C)(C)C3=C(C=C(C=C3)OC(=O)C)OC(=O)C 1 3.72 0 7 0 -7.39669388103507 2851881 CCOC1=CC(=C(C=C1)NC(=O)C2=C(N=CC=C2)Cl)[N+](=O)[O-] 1 2.564 3 4 0 -5.39590085422914 2851880 CC1=C[N+](=CC=C1)CC(=O)C2=CC3=CC=CC=C3OC2=O.[Br-] Br- 1 3.197 1 3 -6.49100288626992 2851876 CC1=CC(=NC2=CC=CC=C12)NN=CC3=CC4=C(C=C3)OCO4 1 3.791 3 2 7.01986435492038 2851869 CCNCC1(CCCC1)C2=CC(=C(C=C2)OC)OC.Cl Cl- 1 3.138 1 2 -10.7853471917135 2851859 CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N4C2=NCCC4.Br Br- 1 4.23 3 0 -2.86177826636422 2832090 C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O 1 3.75 0 6 -4.5446190293152 2832051 C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)NCCO 1 0.792 5 2 0 -7.01113360226416 2832033 CN1C2=CC=CC=C2OC3=NN=C(C=C31)Cl 1 3.11 3 1 6.74096149493935 2832031 CCN(CC)C(=O)N1CCC2=CC=CC=C2C1CN3C(=O)C4=CC=CC=C4C3=O 1 2.847 3 3 -15.3300170485044 2832029 CC(=O)NC1=CC=C(C=C1)C(C#N)C2=CC=CC=C2 1 2.358 2 1 -3.85472612896614 2832020 C1=CSC(=C1)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-] 1 2.335 2 3 -3.93580275073671 2832015 CC1(N=C(N=C(N1C2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)Cl)N)N)C.Cl Cl- 1 3.202 5 1 14.5104488402251 2832013 CCN1CCN(CC1)C2=NN=C3C(=C2)N(C4=CC=CC=C4O3)C 1 2.624 5 1 8.45946883005222 2851843 C1CCN(C1)CC#CC(C2=CC=CC=C2)O 1 2.444 1 1 1.55888744941404 2851831 C1=CC=C(C=C1)CC(C2=CC=CC=C2)NCC3=CC=CC=C3[N+](=O)[O-] 1 4.779 2 2 1.38792607601997 2851829 C1CC(OC1)CNC(=O)C(=O)NCC2=CC(=CC=C2)CNC(=O)C(=O)NCC3CCCO3 1 -0.49 4 6 0 -15.3237493321144 2851826 C1=CC(=CC=C1OCCCCCN2C=CN=C2)F 1 2.859 2 1 4.40519305148571 2851825 CC1=NC2=CC=CC=C2N1CCOC3=CC=CC=C3 1 3.444 2 1 -2.24751188406893 2851823 C1CCC(CC1)C(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O 1 4.074 2 3 -11.4474230726812 2851814 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3CCCO3 1 2.607 2 3 -15.5988701388389 2851813 CC(C)N1C2=CC=CC=C2N=C1C(C3=CC=CC=C3)O 1 3.585 2 1 -5.11401294966578 2851786 C1CN2CCC1C(=NNC(=O)C3=CC4=CC=CC=C4C=C3O)C2.Cl Cl- 1 1.968 3 2 0 2.36270303743565 2851775 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NCC3CCCO3 1 3.272 2 3 -19.3900057028315 2851766 CCC(C(=O)NC1=CC=CC=C1OC)OC2=CC=CC=C2 1 3.441 1 3 -11.0909815079707 2851753 CCN1C2=CC=CC=C2N(C1=N)CC(=O)C(C)(C)C.Br Br- 1 2.636 3 1 -4.0487699840775 2851749 CCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NC3=CC=CC=C3O 1 3.645 1 3 -3.91792055258057 2851747 COC1=CC=CC(=C1)C(=O)NNC(=O)CCC(=O)O 1 3.6e-002 2 5 0 -13.9432309191403 2851733 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)SC(=NC3=CC=CC=C3)NC4=CC=CC=C4 1 4.314 3 4 0 -0.91946810849762 2851717 C1CCN(CC1)C2CS(=O)(=O)CC2O 1 0.171 1 3 0 -3.90605815545581 2851708 CC1CN(CC(O1)C)CC(COCC2=CC(=C(C=C2)OC)OC)O.Cl Cl- 1 1.671 1 5 0 -12.2511759698228 2851703 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NCC4=CN=CC=C4 1 1.832 3 3 0 -14.8207269683178 2832004 CC[N+]1=CC=CC(=C1)C2=NC3=CC=CC=C3S2.[I-] I- 1 3.792 2 0 8.58949682021902 2831973 CC(CNC(=O)COC1=CC=CC=C1)OC(=O)NC2=CC(=CC=C2)Cl 1 3.327 2 4 -6.10323873512264 2831910 C1=CC=C2C(=C1)N=CN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.916 4 4 0 -2.63188534986569 2831892 C1C(C1C(=O)NN=CC2=CC=NC=C2)C(=O)NN=CC3=CC=NC=C3 1 -0.117 6 2 0 -3.22692128960247 2831829 CCC(=O)OC1(CCN(CC1C)C)C2=CC=CC=C2.Cl Cl- 1 2.687 1 2 -2.88302456164202 2831821 C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Br 1 3.151 3 5 0 -6.12534903908393 2851680 C1CN2CCC1C(=NNC(=O)C3=CC(=CC=C3)O)C2.Cl Cl- 1 1.06 3 2 0 -1.67269367360505 2851677 CC(=O)CC(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.692 1 5 -9.09570354220232 2851670 CC1=CC2=NC(=C(C=C2C=C1)C)N3CCN(CC3)C4=CC=CC=N4 1 4.707 4 0 7.47773550098482 2851669 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)NN=CC3=CC=CC=C3Cl)NCC4=CC=CO4 1 4.152 7 2 0 -1.41052475828142 2851650 CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2 1 3.602 2 2 -2.87748563824221 2851638 CC1=CC(=CC(=C1)NC2CCCCC2OC)C 1 3.91 1 1 -2.175159061494 2851629 CCCN1CCC(=NNC(=O)C2=CC=C(O2)Br)CC1 1 2.014 3 2 -8.15713227190163 2851608 C1COCCN1C2=CC=C(C=C2)C=NNC3=CC=CC=C3 1 3.298 3 1 0.705749483842709 2851603 CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NCC2=CC=CO2 1 3.689 2 2 -13.7942610240042 2851590 CON1C2CCCCCC2N(C(=O)C1=O)OC 1 0.536 2 4 0 -1.98142173159854 2851587 CC1=CC(=C(C=C1)NC(=O)C2CC3CCC2C3)Br 1 3.987 1 1 0.124360122477973 2851581 C1C2CC3CC1CC(C2)(C3)C(=O)N(CC4=CC=CC=C4)C5=CC=CC=N5 1 4.683 2 1 -3.28288118900234 2851567 CC(C)(C)C(=O)CN1C2=CC=CC=C2N=C1NCCO.Br Br- 1 2.018 3 2 -6.45605068220332 2851559 CCSC1=NCN(CN1)CCCC(=O)O.Br Br- 1 -1.878 3 2 0 -14.2574049644239 2851556 C1=CC(=CC(=C1)CNC(=O)C(=O)NCC2=CC=CO2)CNC(=O)C(=O)NCC3=CC=CO3 1 0.323 4 6 0 -10.8947748565933 2851554 C1=CC=C(C=C1)C(C2=CC=CC3=CC=CC=C32)NC(=O)N 1 3.267 2 1 -5.68012398961978 2851548 CC(C1=CC=CC=C1)NC(=O)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.228 4 4 0 -11.1620762082519 2851546 CC1(C2CCC1(C(=O)N(C2=O)NC(=O)C3=CC=C(C=C3)O)C)C 1 1.889 2 4 0 -7.42031817837694 2851545 CC1=CC(=C(C=C1)OCCCCN2C=CN=C2)Cl 1 3.348 2 1 5.55866129134142 2851498 C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])N5CCCCC5 1 4.508 8 3 0 -0.930699777315 2851497 CN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)Br.Br Br- 1 3.163 3 1 -4.61516849093225 2851462 CCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NC2=CC=CC=C2 1 3.349 1 4 -10.4654128069849 2851418 C1CC(OC1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.955 2 4 0 -13.0511362640763 2851404 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=CC=C3)C(=O)C4=CC=CC=C4 1 4.7 2 4 -7.21026050088788 2851401 CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC(=S)N4CCCCC4)C 1 4.668 2 1 -10.7873754239066 2851395 C1CN(CCC1CC2=CC=CC=C2)C3CC(=O)N(C3=O)CCC4=CC=CC=C4 1 4.001 2 2 2.97730386864239 2851386 CCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)Cl.Br Br- 1 3.952 3 1 -2.61022941982625 2851385 CC(=O)OC1(CC(CN(C1)C(C)(C)C)C(C)(C)C)C2=CC=CC=C2.Cl Cl- 1 4.253 1 2 -5.11745510783451 2851365 CN(C)C1=C(C=C(C=C1C(=O)N(C)C)[N+](=O)[O-])[N+](=O)[O-] 1 1.195 4 5 0 -6.5536426542228 2851364 CCCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CC=C3 1 4.206 3 1 -9.95044247097078 2851357 C1CC2=CC=CC=C2C(=NNC(=O)C(C3=CC=CC=C3)O)C1 1 2.827 2 2 -12.1530040831136 2851352 COC1=CC=C(C=C1)C=NNC2=NC(=NC(=C2)N3CCCC3)N4CCCC4 1 3.242 6 1 0 2.37722389280158 2851334 COC1CCCCC1NC2=CC(=CC=C2)SC 1 3.48 1 1 -1.07447621978512 2851327 C1=CC(=CC=C1F)S(=O)(=O)NN2C=NN=C2 1 0.141 4 2 0 -4.33065601710461 2851315 CC1CN(CC(O1)C)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 2.067 2 4 -13.5295272751234 2851314 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC(=S)N4CCOCC4)C)C 1 3.645 2 2 -14.6964797403745 2851307 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3CCCO3 1 1.533 2 4 0 -8.17954487171734 2851304 CN1C2=CC=CC=C2N=C1N=NC3=CC=C(C=C3)N(C)C 1 4.624 5 0 6.8413640413017 2851300 CC1=C(SN=N1)C(=O)NC(C)C23CC4CC(C2)CC(C4)C3 1 3.009 3 1 -12.747386512411 2851287 CC1CN(CC(O1)C)C(=O)C2=CC=CS2 1 1.64 1 2 0 -15.4750537281995 2851263 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=[N+](C=C2)CC3=CC=CC=C3.[Cl-] Cl- 1 3.658 2 3 -6.18586409661085 2851249 COC1=CC(=C(C=C1)CNC2CCCC3=CC=CC=C23)OC 1 3.934 1 2 3.67413296346998 2851243 CC(=NNC(=O)CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC 1 3.16 3 6 0 -19.0094478115042 2851230 C1CCN(CC1)CC(COC2=CC=C(C=C2)Cl)O.Cl Cl- 1 3.023 1 2 -0.820296477823334 2851202 CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC3=CC=CC=C3C=C2 1 4.511 2 2 -0.411988756999786 2851198 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3CCC2C3 1 2.956 1 3 -3.75290186848309 2851171 C1COCCN1NC(=O)C23CC4CC(C2)CC(C4)C3 1 1.331 2 2 0 -4.77670516658486 2851169 C1CCC(=NNC2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)CC1 1 3.51 3 2 -3.04997796864298 2851142 CC1=CC=C(C=C1)N2C(N=C(N=C2N)N)C3=CC=C(C=C3)OC.Cl Cl- 1 2.466 5 1 3.56266378816705 2851108 COC1=C(C=C(C=C1)C=NNC(=S)NC2CCS(=O)(=O)C2)OC 1 1.706 3 4 0 -17.6663778565582 2851102 CC(=O)C(=NNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])C(=O)C 1 1.031 3 6 0 -5.87208768092129 2851079 CCOC(=O)C1=CC=C(C=C1)NS(=O)C23CC4CC(C2)CC(C4)C3 1 3.49 1 3 -1.13947997319283 2851077 CC1=CC2=C(C=C1)OC(CC2=O)(C(F)F)O 1 2.125 0 3 -1.76645384696888 2851058 CCC1=NC(=NC2=C1C(=O)CC(C2)(C)C)N 1 1.761 3 1 0 -10.2802579315891 2831792 CCCCCN1C2=C(CCC2)C(=N)C3=CC=CC=C31.I I- 1 4.518 2 0 -5.37585459015746 2831789 CCCCN1CCC2=C(C3=C(C=CC(=C3)Br)N=C21)N.Cl Cl- 1 3.502 3 0 1.89230496934181 2831779 CCCC(C)C1(C(=O)NC(=NC1=O)NC2=CC=C(C=C2)OC)CC 1 3.729 3 3 -6.60518363661015 2831770 C1CC2=C(C3=CC=CC=C3N=C2C1)NC(=O)CCCCCl 1 3.758 2 1 -5.99914941682688 2831764 CCCCCC(=O)NC1=CC(=NC2=CC=CC=C21)N(C)C 1 3.253 3 1 -9.68159102713481 2831759 C1CN(CCN1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 2.577 3 2 -14.8627761254287 2831758 COC(CNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC=CC=C2 1 2.886 1 3 -6.09350014187143 2831754 CC1=CC(=CC=C1)NC(=O)C2(CC2(Cl)Cl)C3=CC=CC=C3 1 3.88 1 1 -0.730713359969454 2831748 CCOC(=O)C1C(C(=C(CC1(C)O)NC2=CC=C(C=C2)C)C(=O)OCC)C3=CC=CC=C3 1 3.92 1 5 -12.7455967401775 2831745 CCOC(=O)C1=C(C2=CC(=CN=C2N1C)[N+](=O)[O-])N=CN(C)C 1 1.275 5 4 0 -5.60716832530285 2831741 CC1=CC2=C(C=C1)N(C3=C2CCCC3C(=O)N)C 1 3.177 2 1 2.16759440413093 2831734 CC(C(=O)C1=CC=CC=C1)OC2=CC(=O)CCC2 1 2.584 0 3 -7.97241170734908 2831730 C1=CC=C(C=C1)NC(=O)C2=C(C3=CC(=CN=C3S2)[N+](=O)[O-])N 1 1.964 4 3 0 -7.26692217154042 2831729 CCOC(=O)C1=C(C2=CC(=CN=C2N1C)[N+](=O)[O-])N 1 1.021 4 4 0 -5.41229842124458 2831728 CCOC(=O)C1=C(C2=CC(=CN=C2S1)[N+](=O)[O-])N 1 1.383 3 4 0 -8.86163893613375 2831720 CCC[N+]12CCC(CC1)C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-] Br- 1 2.746 1 1 -2.02227638400833 2831718 C1C2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)Br)C(=O)N1 1 2.713 3 1 -17.2145667161135 2831708 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC(=N)N.Br Br- 1 3.305 3 4 0 -4.38411087679576 2831697 CC1=C(C(NC(=O)N1C)C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-] 1 2.139 3 3 -9.78175892765408 2831688 C1CSC(=N1)NC(=O)C23CC4CC(C2)CC(C4)C3 1 2.993 2 1 -10.2621285703274 2831646 C1CCN(CC1)C(CC(=O)N2CCCCC2)C3=CC=CC=C3O 1 3.038 2 2 -8.69189635746569 2831629 C1=CC=C(C=C1)CCNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 2.781 2 4 -9.69612737758632 2831624 CC(C)NC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-] 1 1.603 2 4 0 -11.766387887178 2831623 CCNC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-] 1 1.225 2 4 0 -10.6918801428625 2831590 CCN(CC)CC.CN\1C=CC=C/C1=C\2/C(=O)N(C(=S)S2)CC(=O)O NEt3 1 0.937 2 3 0 -13.3765953802544 2831589 CN\1C=CC=C/C1=C\2/C(=O)N(C(=S)S2)C3CCCCC3 1 3.314 2 1 -10.0200470674265 2831581 CN(C)CCOC(=O)C1=CC2=C(C=C1)NC3=C2CSCC3.Cl Cl- 1 2.746 2 2 -0.87233153373038 2831578 CC1(C(CCC1(C)C(=O)O)C(=O)NC2=CC3=CC=CC=C3C=C2)C 1 3.588 1 3 -0.291490864116074 2831576 CC1=CC(=C(C(=C1)C)NC(=O)CN(C)CCC2=CC(=C(C=C2)OC)OC)C.Cl Cl- 1 4.287 2 3 -8.49865239136367 2831569 C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)N.[Br-] Br- 1 1.943 2 1 0 -0.406247075415713 2831568 C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)N.[Br-] Br- 1 1.943 2 1 0 -1.23476953178803 2831567 CC1(C(CCC1(C)C(=O)OC)C(=O)NC2=CC=CC=C2)C 1 2.905 1 3 -1.68227697035131 2831552 CC(C(=O)C1=CC=CO1)N.Cl Cl- 1 0.487 1 2 0 -3.58200358669684 2831541 CCCS(=O)(=O)C(=C(NC1=CC=CC=C1)NC2=CC=CC=C2)S(=O)(=O)CCC 1 4.658 2 4 -5.76618559931249 2831538 CN(C)C1=CC=C(C=C1)C=NNC2=CC=CC(=C2)C(=O)O 1 3.24 3 2 -3.81810071727887 2831534 CC1CN(C(C2=C1OC3=C2C=C(C=C3)[N+](=O)[O-])C)C 1 3.021 2 3 -2.33807656288944 2831521 CN1CCC(=NOC(=O)C2=CC=C(C=C2)OC)CC1.Cl Cl- 1 1.622 2 3 0 3.32476126611024 2831459 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC3=CC=CC=C3Cl 1 6.773 3 1 -16.3347727978493 2831455 CC1=CC(=C(C=C1)C)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC3=CC=CC=C32 1 7.081 3 1 -17.5487285456612 2831452 CC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC3=CC=CC=C32 1 6.595 3 1 -15.3106482822855 2831451 CC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC3=CC=CC=C32 1 6.595 3 1 -16.7745267014352 2831443 C1COCCN1C(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC3=CC=CC=C32 1 4.443 3 2 -19.1410164392175 2831401 C1CS(=O)(=O)CC1NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)Cl 1 2.61 2 3 -18.3377070635921 2831393 CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC1CCS(=O)(=O)C1 1 1.41 2 3 0 -20.3740236029668 2831392 CC(C)C(=O)NC(C(Cl)(Cl)Cl)SC1=CC=CC=C1 1 4.49 1 1 -9.06251336682415 2831378 CC1=CC=CC(=C1)C(=O)NC(C(Cl)(Cl)Cl)OC2=CC=CC=C2 1 4.953 1 2 -9.0782351531226 2831376 CCCC(=O)NC(C(Cl)(Cl)Cl)NC1CCS(=O)(=O)C1 1 1.404 2 3 0 -26.333993853248 2831374 C1CS(=O)(=O)CC1NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)Br 1 2.694 2 3 -20.0483443519544 2831368 CCN(CC)C(C(Cl)(Cl)Cl)NC(=O)CC1=CC=CC=C1 1 3.706 2 1 -8.3573483206253 2831367 CC(C)(C)NC(C(Cl)(Cl)Cl)NC(=O)CC1=CC=CC=C1 1 3.404 2 1 -14.6514878041321 2831347 COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)OC2=CC=CC=C2 1 4.451 1 3 -9.59125002471818 2831346 C1=CC(=CN=C1)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.847 4 3 0 -24.4046679626195 2831342 CCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=C(C=C1)S(=O)(=O)N 1 4.281 3 3 -27.5445350639125 2831340 CCCCCC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=C(C=C1)S(=O)(=O)N 1 3.369 3 3 -27.4872849463761 2831315 COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=C(C=C2)OC 1 4.259 2 3 -17.9903962699463 2831314 COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=CC=C2 1 4.276 2 2 -17.3207314661021 2831298 CC1=C(C(NC(=O)N1)C2=CC=CC=C2Cl)C(=O)OC 1 1.729 2 3 0 -29.098447612586 2831290 C1C(O1)COC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OCC4CO4 1 2.332 0 6 -8.15746407943135 2831285 CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)O)[N+](=O)[O-] 1 0.507 3 5 0 -14.650275807287 2831280 CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC3=CC=CC=C32)OC)C 1 2.305 2 4 -27.2181060105968 2831273 C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)OC2=CC=CC=C2 1 4.467 1 2 -10.2473708304134 2831257 CC(=O)NC1=CC(=C(C=C1)OC(C(C(F)(F)F)F)(F)F)NC(=O)C 1 2.474 2 3 -8.65046040880605 2831245 C1=CC=C(C=C1)NC(=S)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O 1 3.479 3 3 -7.1239616212181 2831244 CC(=O)OC1=CC=CC(=C1)N2C(=O)C3C4CC(C3C2=O)C=C4 1 1.454 1 4 0 -1.03951252433609 2831242 CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)O)C(=O)C 1 0.697 2 3 0 -25.2636362395261 2831240 C1=CC2C3C(C1C4C2C(=O)N(C4=O)CCC(=O)O)C(=O)N(C3=O)CCC(=O)O 1 -1.832 2 8 0 -12.3892834683026 2831237 C1C2C=CC1C3C2C(=O)N(C3=O)NC4=CC=CC=C4 1 1.709 2 2 0 0.511508391070278 2831236 C1C2C=CC1C3C2C(=O)N(C3=O)C4=CN=CC=C4 1 0.536 2 2 0 0.566320338151915 2831231 C1C(OC2=CC=CC=C2O1)(C3=CC=CC=N3)O 1 2.115 1 3 0.23020006971199 2831224 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=CO4 1 2.694 1 2 -7.85388404276829 2831217 CC1(CC(=CC(=O)C1)NC2=CC=CC=C2N)C 1 1.957 2 1 0 -14.7168319062167 2831216 C1C2CC3CC1CC(C2)(C3)C4C(=O)N(N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6 1 4.508 2 2 -1.17280628249904 2831211 C1CS(=O)(=O)CC1NC(=O)NC2=CC=CC=C2 1 0.454 2 3 0 -12.7603523603157 2831208 CCCOC(=O)NC1CCS(=O)(=O)C1 1 0.397 1 4 0 -13.11200162396 2831207 CCCCN(C1CCS(=O)(=O)C1)C(=S)SC 1 3.041 1 2 -13.8271161942156 2831206 CN(C)C(=S)NC1CCS(=O)(=O)C1 1 0.701 2 2 0 -13.4105748477688 2831203 C1CS(=O)(=O)CC1NC(=S)NC2CCS(=O)(=O)C2 1 -0.327 2 4 0 -12.5084075299886 2831170 C1CS(=O)(=O)CC1NC(=S)NC2=CC=CC=C2 1 2.02 2 2 -14.0827615115857 2831167 C=CCSC(=S)NC1CCS(=O)(=O)C1 1 1.793 1 2 0 -12.1485953387736 2831165 C1CS(=O)(=O)CC1N2CCOCC2 1 -0.485 1 3 0 -9.90863529609535 2831162 C1CS(=O)(=O)CC1NC(=O)NC2=CC=C(C=C2)Cl 1 1.118 2 3 0 -10.7816995313555 2831159 CCCCNC1CCS(=O)(=O)C1 1 0.62 1 2 0 -10.7734889020523 2831155 CCCCSC(=S)NC1CCS(=O)(=O)C1 1 2.505 1 2 -10.4801939421937 2831153 CCCSC(=S)NC1CCS(=O)(=O)C1 1 2.049 1 2 -10.8958873952167 2831200 C1CS(=O)(=O)CC1NC(=S)N 1 -0.267 2 2 0 -11.2397356688358 2831192 C1CS(=O)(=O)CC1CNC(=O)OC2=CC=CC=C2 1 1.291 1 4 0 -13.1379806334052 2851054 COC1=CC=C(C=C1)C=NNC2=NC(=NC(=N2)NCC3=CC=CO3)NC4=CC=C(C=C4)OC 1 3.472 7 3 0 -3.89800228436891 2851045 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC4=CN=CC=C4 1 2.203 2 2 0.553136271349066 2851029 CN(C)CCCN1C(=O)C2=C3C(=C(C=C2)Br)C=CC=C3C1=O 1 2.72 2 2 2.66880417113417 2851017 CCC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=NNN=N4 1 2.538 5 1 -5.45946760326155 2851007 C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)NC(=O)NC3=O)[N+](=O)[O-] 1 0.527 3 7 0 -8.8794428649913 2851004 C1=CC(=CC=C1NC(=O)C(C(F)(F)F)(F)Cl)S(=O)(=O)NC2=NC=CS2 1 2.313 3 3 -9.21167470789528 2850990 C1CN=C2N(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.Cl Cl- 1 2.829 3 0 -6.42314031726753 2850954 CC1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)C2CC3CCC2C3 1 1.944 2 3 0 -5.92094016206464 2850951 CN(C)C1=CC=C(C=C1)C=NNC2=NC(=NC(=C2)N3CCOCC3)N4CCOCC4 1 1.874 7 2 0 -1.81465091354778 2850941 CCOC1=CC=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)Br)CC(=O)O 1 3.827 1 4 -8.28641486144749 2850940 CC(=O)C1=CC=C(C=C1)NC(=O)CCSC 1 1.419 1 2 0 -12.4798995347874 2850927 COC1=CC(=C(C=C1C=NCC2(CCCC2)C3=CC=CC=C3)OC)OC.Cl Cl- 1 4.839 1 3 -10.1761650202096 2850923 COC1=C(C=C(C=C1)C=NNC2=NC(=NC(=N2)N3CCCC3)N4CCCC4)O 1 2.238 7 2 0 0.937091947226937 2850922 CCOC1=C(C=CC(=C1)C=NNC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4)OC(=O)C5=CC=CO5 1 4.568 7 4 0 -10.2174489099284 2850911 CCOC(=O)CCNCC1COC2=CC=CC=C2O1.Cl Cl- 1 1.551 1 4 0 -6.2078598802094 2850907 CC1=CC(=C(C(=C1)C)OCCCCCN2C=CN=C2)C 1 4.112 2 1 3.64378000621728 2850903 C1=CC(=CC(=C1)Cl)CC2C(=O)N=C(S2)N 1 2.804 2 1 -2.79776784602779 2850867 CC(=O)N1C2C(NC3=CC=CC=C3N2C)N(C1=O)C4=CC=CC=C4OC 1 2.781 4 3 0 -13.8981997106096 2850864 C1=CC=C(C=C1)C(C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])O 1 1.48 3 5 0 -7.57939462151854 2850861 CC1=CC=C(C=C1)C2C3C(=NC4=C2C(=O)CC(C4)(C)C)C5=CC=CC=C5C3=O 1 4.501 1 2 -12.7746323300997 2850847 CC1=NC2(CCCC3=[N+](ON=C32)[O-])N(C1(C)C)O 1 -1.778 4 3 0 1.31697177369782 2850833 CC1=C(C=C(C=C1)NC2CCCCC2OC)C 1 3.91 1 1 -3.42487088365997 2850828 C1CC(C2=CC=CC=C2C1)NCC3=CC=CC=C3[N+](=O)[O-] 1 3.861 2 2 0.598499813801722 2850825 C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC(=CC=C4)O 1 3.293 2 3 4.98258732662684 2850823 CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=CS3)C 1 3.615 3 1 -26.7432559936772 2850820 CC1C(N(C(=O)C(=O)N1OC)OC)(C)C 1 -0.391 2 4 0 -3.30090825919369 2850816 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)CC3=CC=C(C=C3)Br 1 3.673 1 3 -1.55621384281165 2850800 COC1=CC=CC(=C1OC)CNC2CCCC3=CC=CC=C23 1 3.934 1 2 2.5675588274334 2850792 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)C(=O)N 1 0.474 3 4 0 1.68825065307914 2850780 CC1=CC(=C(C=C1)CNC(C)COC)C 1 2.586 1 1 0.797154543663825 2850761 C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(C4=CC=CC=C4)C5=CC=CC=C5 1 5.25 3 0 1.10714483474571 2850760 COC1=C(C=C(C=C1)CCNC(=O)C(=O)NC2=CC3=C(C=C2)OCCO3)OC 1 1.962 2 6 0 -18.5057264660272 2850759 C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)OCO3 1 1.164 1 4 0 -13.765562366932 2850737 CC1=CC=C(C=C1)NC(=O)C2=C(NC(=O)NC2C3=C(C(=CC=C3)OC)OC)C 1 2.447 3 4 0 -30.9940159340699 2831190 C1CS(=O)(=O)CC1OC(=O)NC2=CC=CC=C2 1 1.101 1 4 0 -11.387398897071 2831188 CCOC1CS(=O)(=O)CC1OCC 1 9.1e-002 0 4 0 -5.1728931365317 2831184 C1CS(=O)(=O)CC1C(C2CCS(=O)(=O)C2)[N+](=O)[O-] 1 -0.285 1 6 0 -7.69745731610996 2831180 C1C(C(CS1(=O)=O)O)NC(=O)NC2=CC=CC=C2 1 -0.12 2 4 0 -8.93955376861683 2831176 C1CS(=O)(=O)CC1NC(=O)NC2=CC=CC=N2 1 -0.158 3 3 0 -12.5063956090822 2831175 CC1(CCS(=O)(=O)C1)NC(=O)NCC2=CC=CC=C2 1 0.665 2 3 0 -12.1242730683271 2831091 COC1=C(C=C(C(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)[N+](=O)[O-])OC 1 1.714 3 6 0 -21.2368174707058 2831093 CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)N)C 1 1.626 3 7 0 -15.9742762762402 2831098 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C(=O)C1)C 1 2.172 3 6 0 -22.3961813866618 2831136 COC1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)OC 1 2.931 0 4 -0.765842864573587 2831117 CC(C)CC(=O)NC(C(Cl)(Cl)Cl)OC1=CC=C(C=C1)Cl 1 4.842 1 2 -8.28809588781989 2850732 CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=O 1 1.01 3 3 0 -14.3099192199964 2850672 CCOC1=CC=C(C=C1)C(=O)NCC2CCCO2 1 1.729 1 3 0 -12.6475130692193 2850705 CCN1C2=CC=CC=C2N=C1C(C3=CC=CC=C3)O 1 3.207 2 1 -4.62912595226305 2850704 C1CC(OC1)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.008 1 3 -7.78652511391215 2850702 CCN(CC)CCNC(=O)C12CC3CC(C1)(CC(C3)(C2)C)C.Cl Cl- 1 3.177 2 1 -7.79792929401564 2850689 C1C(OC2=CC=CC=C2O1)CNCCC3=CC=CC=C3 1 3.151 1 2 1.37469925196216 2831070 CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)O)OC)C#N)N)C 1 1.705 2 5 0 -11.7763970516602 2831033 C1CCC2(CCNC(C2C1)C3=CC=CC=C3)O 1 2.091 1 1 -2.89414850721547 2831031 C1=CC(=CN=C1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N 1 1.469 3 2 0 -0.973104060534667 2831029 CC1=C(C(C(=C(O1)N)C#N)C2=CN=CC=C2)C(=O)C 1 0.339 3 2 0 -10.8063546419619 2830981 CCOC(=O)C(CC1=CC=C(C=C1)N)N2C(=O)C3=CC=CC=C3C2=O.Cl Cl- 1 2.211 2 4 -9.23429793488324 2830980 CCOC(=O)C1=C(NC2=C(C1C3=CSC=C3)C(=O)CC(C2)(C)C)C 1 2.578 1 3 -36.5359527630226 2830961 C1CCN(CC1)S(=NS(=O)(=O)C2=CC=CC=C2)N3CCCCC3 1 2.895 3 2 -1.55293526539969 2830960 CC(C)N(C(C)C)S(=NS(=O)(=O)C1=CC=CC=C1)N(C(C)C)C(C)C 1 3.966 3 2 -2.46809852248726 2830931 CC(=NNC(=O)C1=CC=CC=C1[N+](=O)[O-])CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 1.744 5 6 0 -13.2013438209626 2830874 CCN(CC)CCCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC.Cl Cl- 1 4.27 1 3 -2.36714548006297 2830872 CCN(CC)CCCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC.Cl Cl- 1 3.921 1 3 -2.40534989736459 2830843 C1=CC=C(C=C1)CNC(=O)CCCCCCC(=O)NCC2=CC=CC=C2 1 3.789 2 2 -13.7065255513973 2830806 CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC(C2=CC=CC=C2)C3=C(OC4=CC=CC=C4C3=O)O 1 4.941 4 7 0 -7.63553329025536 2830804 C1=CC=C(C=C1)C(C2=C(SC3=CC=CC=C3C2=O)O)C4=C(SC5=CC=CC=C5C4=O)O 1 6.12 0 4 -2.78604642629724 2830800 CC(=NNC(=S)N)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O 1 3.503 3 3 -7.10705033451104 2830799 CCC(=NNC(=S)N)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O 1 4.17 3 3 -6.78054859140418 2830798 CCC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)O 1 3.854 1 6 0 -5.19207951525139 2830785 C1=CC=C(C=C1)C2=NOC(C2[N+](=O)[O-])C3=CC=CC=C3O 1 2.977 2 4 0.422894581891281 2830769 COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CN=CC=C3 1 2.547 6 4 0 -16.6646246907388 2830700 CCOC(=O)C1CCCN2C1=NC3=C(C2=O)C4=C(S3)CCCC4 1 3.097 2 3 -19.9153540622633 2830697 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)NCC(CO)O 1 1.942 2 4 0 -18.378102671092 2830657 CC(C)CC(C(=O)NC1=CC(=CC=C1)O)N2C(=O)C3=CC=CC=C3C2=O 1 2.972 2 4 -13.3434895921294 2830655 C1COC(C(O1)OC2=CC=C(C=C2)C=O)OC3=CC=C(C=C3)C=O 1 2.92 0 6 -7.83554534345061 2830649 CCOC(=O)C(=NNC1=CC=CC=C1)C2=CSC(=N2)NC3=CC=CC=C3 1 4.118 4 2 0.338845842155753 2830648 CCOC(=O)C(=NNC1=CC=C(C=C1)OC)C2=CSC(=N2)NC3=CC=CC=C3 1 4.101 4 3 0 0.660861423852565 2830640 CN(C)C1=NC(=NP(=N1)(N(C)C)N(C)C)N(C)C 1 -1.208 7 0 0 -1.33277193241912 2830626 CC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C)C 1 4.474 3 1 -16.9994938954054 2830618 CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1OC 1 3.485 3 2 -17.7688675459816 2830614 CC1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C(C)(C)C 1 5.534 3 1 -21.8239360367106 2830613 CC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C(C)(C)C)C 1 6.02 3 1 -22.0215843576974 2830596 C1=CC=C(C=C1)OCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2C(=O)O 1 4.631 3 4 0 -20.395948613086 2830594 C1=CC=C(C=C1)OCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2O 1 4.759 3 3 -13.7496879970987 2830593 COC(=O)C1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)COC2=CC=CC=C2 1 4.856 3 4 0 -23.9211316172737 2830592 CC1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)COC2=CC=CC=C2 1 5.487 3 2 -19.4495091283614 2830545 CCCC(=O)NC(C(Cl)(Cl)Cl)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C 1 2.566 4 2 -31.91507922347 2830543 CCC(=O)NC(C(Cl)(Cl)Cl)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C 1 2.11 4 2 -24.3587233122128 2830541 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C(Cl)(Cl)Cl)NC(=O)CF 1 1.711 4 2 0 -27.491736485868 2830535 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C 1 2.316 5 2 0 -25.646478570568 2830531 CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C 1 2.983 5 2 0 -26.9685047364234 2830529 CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(C2=C(S1)CCCC2)C#N 1 6.096 4 1 -34.4949205076982 2830528 CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC2=C1N=CC=C2 1 4.817 4 1 -19.54459727329 2830524 CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(C2=C(S1)CCCC2)C#N 1 5.925 4 1 -33.5458626275598 2830501 CC(C)(C)C(=O)NC(C1=CC=CC=C1)C2=C(C=CC3=CC=CC=C32)O 1 4.782 1 2 -10.1626120398082 2830498 C1=CC=C(C=C1)CNC(=O)C(C(C(=O)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3 1 3.584 1 7 0 -13.3356983050221 2830491 C=CCC1CCCCC12C(=O)NC(=O)N2 1 1.608 2 2 0 -10.0705004631716 2830487 C=CCC1CCCCC12NC(=O)N(N2)C3=CC=CC=C3 1 2.939 3 1 -4.59971700111924 2830454 CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4 1 3.866 1 8 0 -23.3547404059075 2830439 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)OC(C)C 1 1.996 2 3 0 -31.3911946533507 2830436 CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3 1 2.615 2 5 0 -25.7945481648795 2830433 CC1=C(C(NC(=O)N1)C2=C(C=CC3=CC=CC=C32)O)C(=O)OC(C)C 1 2.457 2 4 -24.2445708060352 2830432 CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC3=CC=CC=C32)O)C 1 2.08 2 4 -22.8926159882798 2830431 CC1=C(C(NC(=O)N1C)C2=C(C=CC3=CC=CC=C32)O)C(=O)OC 1 1.937 2 4 0 -10.6023430243422 2830430 CC1=C(C(NC(=O)N1)C2=C(C=CC3=CC=CC=C32)O)C(=O)OC 1 1.731 2 4 0 -22.1433021199343 2830416 CC1=C(C(NC(=O)N1C)C2=CC=CC=C2)C(=O)OC(C)C 1 1.997 2 3 0 -21.0144662674841 2830411 C1=CC=C(C=C1)C(=O)C(NC(=O)C2=CC=CC=C2)N3C(=O)C=CNC3=S 1 2.818 3 3 -14.535519979457 2830410 C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)SC2=NC=NC=C2 1 3.786 3 1 -10.8021793473763 2830404 CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N 1 1.403 5 2 0 -0.690900593475311 2830397 CCOP(=O)(C(C(Cl)(Cl)Cl)NS(=O)(=O)C1=CC=CC=C1)OCC 1 2.549 1 5 -13.2395555649167 2830394 CNC(=S)N=C(C1=CC=CC=C1)NC2=CC=CC=C2 1 3.748 3 0 -5.91123334663573 2830366 CCOC1=CC=C(C=C1)OC(=O)NC(C2=CC=CC=C2)C(Cl)(Cl)Cl 1 5.135 1 3 -9.0633028686377 2830360 COC1=CC=C(C=C1)NC2CS(=O)(=O)C=C2 1 1.002 1 3 0 1.41593455977184 2830358 CC(C)OC(=O)NC(C1=CC=CC=C1)C(Cl)(Cl)Cl 1 3.953 1 2 -10.5868515401817 2830344 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 6.573 4 4 0 -23.2153071257021 2830322 C1CCN(CC1)C(C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.768 2 2 -11.4041054997593 2830321 C1COCCN1C(C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 2.538 2 3 -12.1054762046857 2830313 C1=CC=C(C=C1)CNC(=O)/C(=C(\C2=CC=CC=C2)/SC3=CC=CC=N3)/NC(=O)C4=CC=CC=C4 1 4.789 3 2 -12.6519873985196 2830273 CC(=O)NC(C(=O)C1=CC=CC=C1)O 1 0.508 1 3 0 -7.34518780744591 2830260 COC1=CC=C(C=C1)OCC(CN2CCOCC2)O 1 1.112 1 4 0 -5.59914415966594 2830247 C1=CC=C(C=C1)CC(=O)OCCNC(=O)C2=C[NH+]=CC=C2.[Cl-] Cl- 1 1.975 2 3 0 -10.1049469938386 2830244 C1=CC(=C[NH+]=C1)C(=O)NCCOC(=O)C2=CC=C(C=C2)Cl.[Cl-] Cl- 1 2.605 2 3 -6.52453105170394 2830234 C1=CC=C(C=C1)CNC2=CC=CC=[NH+]2.[Cl-] Cl- 1 2.745 2 0 0.160493965246389 2830228 C1=CC=C(C=C1)CNC(=O)C2=C[NH+]=CC=C2.[Cl-] Cl- 1 2.02 2 1 -6.35297779282555 2830220 C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NNC(=O)C4=CC=NC=C4 1 2.414 4 2 -6.29200097731317 2830213 CCCCCC[N+]1=C(SC=C1C2=CC=CC=C2)NC3=CC=CC=C3.[Br-] Br- 1 6.225 2 0 2.10461054929955 2830201 COC1=C(C=C(C=C1)C2C(S(=O)(=O)C(C(N2)C3=CC(=C(C=C3)OC)OC)C(=O)OC)C(=O)OC)OC 1 2.044 1 10 0 -8.45383307931788 2830199 COC(=O)C1C(NC(C(S1(=O)=O)C(=O)OC)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl 1 3.438 1 6 0 -1.41392795010008 2830198 COC1=CC=C(C=C1)C2C(S(=O)(=O)C(S(=O)(=O)C2C(=O)OC)CCN3CCCCC3)C(=O)OC 1 1.919 1 9 0 -3.82397325536116 2830197 C1COCC[NH+]1CCOC(=O)C2=CN=CC=C2.[Cl-] Cl- 1 -1.2 2 3 0 -8.10490640986797 2830192 CCSC1=[NH+]C2=CC=CC=C2N1.[Cl-] Cl- 1 2.868 2 0 -0.239213285940956 2830186 CC1C(OC2=CC=CC=C2O1)(C3=CC=CC=N3)O 1 2.493 1 3 4.55495441130037 2830176 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 1.899 4 4 0 -13.9953761189755 2830172 CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC3=CC=CC=C32)OC)C)C 1 2.511 2 4 -15.6771469150046 2830171 CC1=C(C(NC(=O)N1C)C2=CC=CC=C2Cl)[N+](=O)[O-] 1 1.861 3 3 0 -10.9794568392768 2830170 CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)OC)[N+](=O)[O-] 1 1.181 3 4 0 -11.7337988840508 2830169 CC1=C(C(NC(=O)N1)C2=CC=CC=C2Cl)[N+](=O)[O-] 1 1.655 3 3 0 -18.9636069284624 2830168 C1C(C=CS1(=O)=O)SC2=NC3=CC=CC=C3N2.Br Br- 1 1.809 2 2 0 0.900775001115594 2830165 C1C(C(CS1(=O)=O)O)NC2=CC=CC=C2Cl 1 1.237 1 3 0 -5.57579526672137 2830161 CC(=O)NC(C1=CC=C(C=C1)Br)NC(=O)C 1 1.097 2 2 0 -4.60820923612326 2830140 C1=CC=C(C=C1)C(=O)C(NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)C3=CC=CC=C3 1 5.776 2 2 -7.59828013650705 2830099 C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2C(=O)O 1 4.795 3 3 -21.7458510619875 2830094 COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 3.855 4 4 0 -24.358460319202 2830087 CC1=CC=CC=C1N=NC2=CC(=C(C=C2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C)C 1 6.843 5 1 -10.1089143930193 2830086 CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)N=NC2=CC=CC=C2 1 5.871 5 1 -10.9836043357857 2830085 CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N 1 2.207 4 3 0 -20.9119886717354 2830067 C1=CC=C(C=C1)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=CC(=C2)Cl)Cl 1 6.529 3 1 -15.6184949645738 2830062 CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC2=C1N=CC=C2 1 4.355 4 1 -17.9482116123139 2830061 CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N 1 2.873 4 3 0 -22.2340148375908 2830050 CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N 1 3.33 4 3 0 -29.790370748848 2830033 CCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N 1 4.242 4 3 0 -29.0112719040095 2830027 COC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CF)[N+](=O)[O-] 1 3.647 4 4 0 -21.2255521381178 2830024 C1=CC=C(C(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CF)O 1 3.527 3 2 -15.5570637826665 2830014 CC1=CC=CC(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 4.357 4 3 0 -23.7676432357999 2830011 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 6.389 4 3 0 -19.405178967259 2830010 C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 4.69 4 5 0 -24.3094499004252 2830008 C1=CC(=CC(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O 1 4.69 4 5 0 -23.4631186271167 2829994 CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2C 1 6.138 3 1 -22.2934973713349 2829993 CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 4.357 4 3 0 -25.8380332129924 2829992 CC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2C)C 1 6.624 3 1 -22.2610733965654 2829961 CCCC(=O)NC(C(Cl)(Cl)Cl)NC1=C(C=CC(=C1)C(F)(F)F)Cl 1 5.358 2 1 -18.7365728320878 2829960 CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(C=C(C=C1)OC)[N+](=O)[O-] 1 4.509 4 4 0 -19.6889246254387 2829950 CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N 1 3.336 4 3 0 -23.8304004985668 2829949 CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1OC 1 4.614 3 2 -20.6872793728131 2829946 CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N 1 3.753 4 3 0 -25.9340791340274 2829936 C1=COC(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=CC(=C2)Cl)Cl 1 5.89 3 2 -14.3119674534691 2829933 C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2 1 4.191 3 4 0 -19.4282372549546 2829932 C1=COC(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)C(=O)O 1 4.191 3 4 0 -18.7894783239221 2829930 C1=CC(=CC(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2)C(=O)O 1 4.191 3 4 0 -18.8272672551083 2829929 COC(=O)C1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2 1 4.416 3 4 0 -23.0244632077774 2829923 COC1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2 1 4.545 3 3 -19.448819741793 2829916 CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 4.357 4 3 0 -23.9454941100579 2829909 C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 4.69 4 5 0 -23.3010931818312 2829906 C1=CC=C(C(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-] 1 4.69 4 5 0 -23.3914553564699 2829905 COC(=O)C1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 4.915 4 5 0 -26.8973191346539 2829891 CCCNC(=O)NC(C)C12CC3CC(C1)CC(C3)C2 1 3.094 2 1 -11.5534773125399 2829889 CCCNC(=O)OCC12CC3CC(C1)CC(C3)C2 1 3.364 1 2 -7.41892129163893 2829879 C1C2CC3(CC1CC(C2)(C3)O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.917 1 3 0.913483341748645 2829869 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C)N3CCOCC3 1 2.09 2 4 -14.0749271101266 2829866 C1=CC=C(C=C1)C2=NC(C(=N2)N)(C(Cl)Cl)NC(=O)C3=CC=CC=C3 1 3.18 4 1 -2.20601977195963 2829860 C1COCCN1C(C(Cl)Cl)NC(=O)C2=CC=CC=C2 1 2.173 2 2 -9.65494193727942 2829782 CCCCS(=O)(=O)C1CCS(=O)(=O)C1 1 0.615 0 4 0 -13.383463370284 2829781 CC1=CC=C(C=C1)S(=O)(=O)C2CS(=O)(=O)CC2O 1 0.776 0 5 0 -8.48981643187378 2829778 CC(C)NC1CS(=O)(=O)CC1O 1 -0.555 1 3 0 -7.82638939440228 2829764 CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C1=CC=C(C=C1)C)OCC 1 3.332 1 4 -12.6848789377604 2829762 CC(C1CC1)NC(=O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.91 3 4 0 -12.3631707161869 2829761 CC(C1CC1)NC(=O)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.344 2 2 -4.49947134421875 2829751 CC1=C(C=C(C(=C1)C(=O)NC(C)C2CC2)Cl)Cl 1 4.05 1 1 -6.01671029560138 2829731 C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)OC(=O)C4=CC=CC=C4 1 1.636 2 8 0 -24.5464661046246 2829724 C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2 1 1.465 3 2 0 -15.4862985271663 2829708 CC1C(=C(NC2=C1C(=O)CC(C2)(C)C)C)C#N 1 1.558 2 1 0 -23.1354725453345 2829699 CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=CO2 1 0.96 0 7 0 -14.6053578795007 2829688 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C/4\C5=CC=CC=C5N(C4=O)C(=O)C)/SC3=S 1 2.621 4 4 0 -14.1467476747486 2829677 COC1=CC=CC=C1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OC 1 2.526 1 5 -10.7269144818563 2829646 CC1=NON=C1OCCN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.102 5 4 0 -0.62664360293058 2829645 CC1=NON=C1OC(C)CNC2=CC=C(C=C2)[N+](=O)[O-] 1 2.168 4 4 0 -8.40265829141459 2829640 COC1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-] 1 2.331 2 3 -0.238354463271791 2829636 CC(CNC1=C(C=C(C=C1)[N+](=O)[O-])Cl)NC(=O)C2=CC(=C(C=C2OC)N(C)C)[N+](=O)[O-] 1 3.471 5 6 0 -10.06021694792 2829619 CN1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 1 2.03 4 2 2.18145511743341 2829613 C1CN(CCN1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 1 1.494 4 2 0 -3.82819149610881 2829611 C1COCCN1C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 2.238 2 3 -3.38925010008072e-002 2829609 C1CCN(C1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 1 2.533 3 2 -0.443481764412168 2829605 CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N(C)C)[N+](=O)[O-].Cl Cl- 1 1.914 4 4 0 -10.7653540685789 2829604 CCN(CC)CCNC1=C(C=C(C=C1)Cl)[N+](=O)[O-].Cl Cl- 1 3.033 3 2 -3.03598350924331 2829600 CCNCCNC1=C(C=C(C=C1)Cl)[N+](=O)[O-].Cl Cl- 1 2.149 3 2 -1.48033764950304 2829597 CN(C)CCNC1=C(C=C(C=C1)Cl)[N+](=O)[O-] 1 2.336 3 2 -0.546791295448373 2829587 C1=CC2=C(C=CC(=C2N=C1)NCCN)[N+](=O)[O-] 1 0.89 4 2 0 -6.50894021181388 2829569 C1C(C1(Cl)Cl)(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 3.394 1 1 -2.9706502871954 2829561 CCN(C1=CC=C(C=C1)C(C(=O)OCC)(C(F)(F)F)O)C(=O)OC 1 2.705 1 5 -8.87879109283916 2829560 CCN(C1=CC=C(C=C1)C(C(=O)OCC)(C(F)(F)F)O)C(=O)OCC 1 3.054 1 5 -8.10766754281063 2829558 CCOC(=O)C(C1=CC=C(C=C1)N(C)C(=O)COC2=CC=CC=C2)(C(F)(F)F)O 1 3.213 1 5 -8.11590447721454 2829556 CCN(C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O)S(=O)(=O)C2=CC=CC=C2 1 3.08 1 5 -11.6271172376717 2829554 CCN(C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O)C(=O)OCC 1 2.705 1 5 -8.65888767720988 2829553 CN(C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O)S(=O)(=O)C2=CC=CC=C2 1 2.731 1 5 -10.0461390595726 2829551 CN(C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O)C(=O)OC 1 2.007 1 5 -6.07243561538978 2829550 CCOC(=O)N(C)C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O 1 2.356 1 5 -6.66335009018843 2829549 CC(C)OC(=O)N(C)C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O 1 2.734 1 5 -8.20481301444663 2829508 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 3.249 3 4 0 -15.5935028502513 2829506 CC1=C(C(=CC=C1)C)N2C(=NN=N2)C3(CCCCC3)NC4=CC=CC=C4 1 5.202 5 0 -8.52780906826943 2829502 CC(C)CN1C(C(SC1=S)(C)C)N2C(=O)N(C(=O)O2)C3=CC=CC=C3 1 5.21 3 3 -9.11828522295221 2829501 CC(C)CN1C(C(SC1=S)(C)C)N2C(=O)N(C(=O)O2)C3=CC=C(C=C3)Cl 1 5.874 3 3 -7.03498333722316 2829491 CC1(C(N(C(=S)S1)NC(=O)NC2=CC=CC=C2)N(C(=O)NC)O)C 1 2.346 5 3 0 -6.46440543693649 2829469 CCCCNC(=O)N(C1C(N(C(=O)N1CCCC)CC(=O)OC)(C)C)O 1 1.947 4 5 0 -14.6327074322891 2829460 CC1(C(N(C(=O)N1CC(=O)NN)C2=CC=C(C=C2)Cl)N(C(=O)NC3=CC=C(C=C3)Cl)O)C 1 2.427 6 4 0 -7.87204063934382 2829447 CC(=NNC(=O)CNS(=O)(=O)C1=CC=CC=C1)C2=CC=C(C=C2)Br 1 2.175 3 3 -13.41840915691 2829410 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3=O)[N+](=O)[O-] 1 1.34 3 5 0 -21.7857839332407 2829409 CCCCN(CCCC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2=O)[N+](=O)[O-] 1 3.08 3 5 0 -20.3114338683748 2829407 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCCCC(=O)O 1 1.723 2 4 0 -23.1995658569414 2829405 CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.646 3 3 -8.98016134631353 2829402 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.786 4 2 -14.0442125816718 2829396 CC1=CC=C(C=C1)OP(=O)(O)OC2=CC=C(C=C2)C 1 4.108 0 4 -0.437316643151321 2829371 CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-] 1 2.646 3 3 -9.81322097239751 2829363 CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)F 1 2.957 2 1 -4.67144756874961 2829340 CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C 1 2.943 1 2 -3.90380476460636 2829331 CCOC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC 1 1.82 2 5 0 -9.8167250513824 2829327 CC1=CC(=C(C(=C1)[N+](=O)[O-])NCCCCCCO)[N+](=O)[O-] 1 2.929 3 5 0 -1.74677002977691 2829323 C1=CC=C2C(=C1)C=CC=C2NC3=C(C=C(C=C3[N+](=O)[O-])C(=O)O)[N+](=O)[O-] 1 3.707 3 6 0 -0.39857597730663 2829321 CCCCNC1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-] 1 2.386 3 6 0 -6.05620893130103 2829292 CC1=C(C(=NN1)N2CCCCC2)[N+](=O)[O-] 1 1.312 4 2 0 0.58867246640553 2829272 COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3 1 2.449 2 4 -7.25193024986898 2829269 COC1=CC=C(C=C1)C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC 1 1.734 1 7 0 -5.99631154165226 2829264 CN(C)CCCOC(=O)C1=C(C=C(C=C1)Cl)Cl.Cl Cl- 1 3.215 1 2 1.4674739236057 2829257 CC(=NNC(=S)N)C12CC3CC(C1)CC(C3)C2 1 2.661 3 0 -0.279094356386332 2829243 C1C2C=CC1C(C2C(=O)NC3=NC=CS3)C(=O)O 1 0.489 2 3 0 -5.38230617017062 2829241 C1C2C=CC1C(C2C(=O)NC3=CC(=CC=C3)F)C(=O)O 1 1.698 1 3 0 -1.1394340198041 2829240 C1C2C=CC1C(C2C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O 1 2.435 1 3 1.43537290419019 2829238 C1C2C=CC1C(C2C(=O)NC3=CC(=CC=C3)Cl)C(=O)O 1 2.157 1 3 -0.181570428729097 2829212 CCOC(C(NC(=O)C1=CC=CC=C1)OCC)NC(=O)C2=CC=CC=C2 1 2.73 2 4 -8.16783462277106 2829175 CC1=CC=C(C=C1)NC(=O)OCCNC(=O)OC(C)C 1 2.641 2 4 -9.66313396808851 2829167 CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)C(=O)C 1 3.167 2 1 5.69893317810838 2829165 C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-])O 1 2.613 2 3 -2.04898533937649 2829153 CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 5.382 1 3 -6.39048653295216e-002 2829116 COC1=C(C=C(C=C1)C(=O)OCCN2CCOCC2)OC.Cl Cl- 1 1.478 1 5 0 -11.5161043838171 2829091 C12C(NC(=O)N1)N(C(=O)N2)[N+](=O)[O-] 1 0.802 5 4 0 -7.18237256814292 2829066 CC1=CC2=C(C=C1)N3CCN(C(C3=O)CCCC2=O)C(=O)C 1 1.313 2 3 0 -5.65809385018344 2829065 CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)CC#N 1 3.638 3 0 7.41370640166471 2829059 COC1=CC=C(C=C1)C2=C(C=CC=N2)OC(=O)C34CC5CC(C3)CC(C5)C4.O.Cl Cl- H2O 1 4.933 1 3 3.10574141430207 2829049 C1CCC2=NC3=C(C4=C(S3)C(=C(C=C4)Br)O)C(=O)N2CC1 1 3.695 2 2 -5.40736726266312 2829045 CCOC(=O)C1=C(SC2=C1CCCC2=O)N 1 1.886 1 3 0 -6.87452741291458 2829042 CCN(CC)CC(COC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C)Br)O 1 3.198 2 5 0 -10.7605415444142 2829034 C1COCCOCCN(CCOCCOCCN1CC(=O)N)CC(=O)N 1 -2.539 4 6 0 -6.69084461531059 2829003 CC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.83 2 4 -6.38321847779236 2828965 C1=CC=C2C(=C1)NC(=N2)C(C(C(=O)O)O)O 1 0.147 2 4 0 -3.14406592888279 2828955 CCC(C)OC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC=C3 1 4.093 3 3 -5.94487026088292 2828945 C1=COC(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)Cl 1 5.225 3 2 -15.3990891268922 2828942 CC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C 1 3.938 4 1 4.05373101688613 2828937 CC1(CC(=CC(=O)C1)NC2=CC=CC=C2C#N)C.Cl Cl- 1 2.582 2 1 -15.4533199422378 2828935 C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 1 2.691 3 3 -3.46684785629689 2828925 CC1=CC=C(C=C1)N=NNC2=CC=C(C=C2)C(=O)OC 1 3.926 3 2 5.40333443822149 2828923 COC(=O)C1=CC=C(C=C1)N=NNC2=CC=CC=C2 1 3.439 3 2 5.24668029984814 2828921 COC(=O)C1=CC=C(C=C1)N=NNC2=CC(=CC=C2)Br 1 4.188 3 2 6.97885459043101 2828905 CC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3O2.Br Br- 1 4.181 1 2 -1.59232305808779 2828886 CC1=C[N+](=CC=C1)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3.[Br-] Br- 1 4.695 1 1 2.8338064939682 2828846 CCN1C(=NC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C 1 2.195 3 2 -13.4495749086672 2828838 CCOC(=O)C1=C(N=C(N1)C)C(=O)OCC.Cl Cl- 1 1.106 2 4 0 -8.10902347595148 2828807 C1=CC2=C(C=C1Cl)[N+](=C(S2)SCCCS(=O)(=O)O)CCCS(=O)(=O)[O-] 1 0.648 1 6 0 -6.29376791940119 2828786 CC1CC2=C(C(=O)N1)NC3=CC=CC=C23 1 2.075 2 1 -3.33478710485607 2828769 CC1=CC2=C(C=C1)N=C(N2)C(C(F)(F)F)F 1 3.503 2 0 1.99448590180836 2828750 CC(CC(=O)NCC1=CC=CC=C1)SC(=O)C 1 1.848 1 2 0 -11.7025684740044 2828749 CC(CSC(=O)C)C(=O)NCC1=CC=CC=C1 1 1.933 1 2 0 -11.1733316766498 2828747 CC(CC(=O)NC1=CC=CC=C1)SC(=O)C 1 1.841 1 2 0 -6.86665723317025 2828727 CC1(CC(=O)C(C(N1)(C)C)C(C2=CC=CC=C2)O)C 1 1.697 1 2 0 -7.60757091528133 2828715 CCS(=O)(=O)C1=CC(=C(S1)SC2=CC=CC=C2N)[N+](=O)[O-] 1 2.882 2 4 -10.6384594293238 2828709 C1=CC=C(C=C1)C2=CC(=NN2C(CC(=O)O)C(=O)O)C3=CC=CC=C3 1 3.583 2 4 -4.91885601698186 2828707 COC1=C(C=C2C(NCCC2=C1)C3=CC=CC=C3F)OC 1 3.227 1 2 -11.759076989101 2828696 CN1C2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)F)C(=O)N(C1=O)C 1 1.279 4 3 0 -15.6067312851453 2828683 CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C(=CC=C3)OC)OC)C(=O)O1 1 1.5 2 5 0 -15.5194728156327 2828675 CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)O1 1 1.484 2 6 0 -15.7580784686691 2828669 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C(=C(C=C3)OC)OC)OC)C(=O)C1)C 1 2.261 2 5 0 -18.9961929551183 2828654 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)OC)C(=O)C1)C 1 2.277 2 4 -22.7698007280369 2828653 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)C1)C 1 2.078 2 4 -20.407102590921 2828627 C1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)C1 1 1.62 2 4 0 -19.247738674965 2828613 CC(=O)N1CCC2=CC(=C(C=C2C1C3=CC=C(C=C3)[N+](=O)[O-])OC)OC 1 2.711 2 5 0 -17.1683483294013 2828612 CC(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CC=C3[N+](=O)[O-])OC)OC 1 2.711 2 5 0 -16.1880749114745 2828603 CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)C 1 1.88 3 4 0 -20.5085788581006 2828583 C1C(C(=O)NN=C1C2=CC=CC=C2)C3=CNC4=CC=CC=C43 1 2.837 3 1 -6.35487299193162 2828566 CC(=O)OC1C2CCC1C(CC2)N3CCCCC3.Cl Cl- 1 2.51 1 2 -6.60018200021045 2828564 CC12CCC3(CC1C(C4=CC=CC=C4O2)OC3)CO 1 1.801 0 3 0 -2.92571515743787 2828551 C1CCN(CC1)C2CCC3CCCC2C3=O.Cl Cl- 1 2.817 1 1 0.387041552801718 2828550 CC1=CCC2(CC1C(OC2)C3=CC=CC=C3O)CO 1 2.245 0 3 2.25395082389947 2828524 C1=CC=C(C=C1)C=NNC2=CC=C(C=C2)S(=O)(=O)N 1 2.153 3 2 -4.3030091403069 2828497 CCCCN1C2=C(C(C3=C1C4=CC=CC=C4C3=O)C5=CC=CC=C5)C(=O)CC(C2)(C)C 1 5.385 1 2 -16.6012705976464 2828484 C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NN 1 1.956 2 1 0 0.453214603334611 2828482 C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NN=CC4=CC=CO4 1 3.694 2 2 -0.586181548495134 2828471 CCOC(=O)CC(=NNC(=O)C1CC1(C2=CC=CC=C2)C3=CC=CC=C3)C 1 2.99 2 3 -4.34207387509046 2828444 CC(=O)N1C=CN(C(C1C2=CN(C3=CC=CC=C32)C)C4=CN(C5=CC=CC=C54)C)C(=O)C 1 2.422 4 2 -1.61676324555286 2828423 CC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC 1 2.145 1 3 -23.4123739440197 2828415 C1=CC(=CC(=C1)F)NC(=O)CCCC(=O)OCC(=C(Cl)Cl)Cl 1 3.409 1 3 -11.2365417761192 2828403 CCCCOP(=O)(/C(=C(/C)\O)/C#N)OCCCC 1 2.007 1 4 -7.56392997244189 2828397 CCOC(=O)CC(C(=O)OCC)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 3.896 0 5 -12.374611120148 2828394 COC1=CC=CC=C1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 4.961 0 2 -5.33006076724397 2828393 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=C(C=C3)O 1 4.735 0 2 -1.46045480604026 2828385 CCOC(=O)C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 5.181 0 3 -8.66996206734275 2828376 CCCCOCP(=O)(CCCC)COCCCC 1 3.936 0 3 -4.20290322800378 2828360 CCOP(=S)(C)SCC(=O)NC(C)C(=O)O 1 0.513 1 4 0 -12.8800789924111 2828354 CN1C(CC(=O)N(C1=O)C)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 2.919 2 3 -8.28355393111714 2828336 COC1=C(C2=C(C=C1)C3C4=C(CC(N3C2=O)C(=O)O)C5=CC=CC=C5N4)OC 1 2.746 2 5 0 -11.6553670911471 2828331 CC1=C(C2(C(=O)C3=CC=CC=C3C2(O1)O)O)C(=O)C 1 0.402 0 5 0 -6.07745794758313 2828330 CCOC(=O)C1=C(OC2(C1(C(=O)C3=CC=CC=C32)O)O)C 1 0.875 0 6 0 -7.68624422291733 2828312 COC1=CC(=CC(=C1OC)OC)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3 1 0.395 2 5 0 -12.491360707443 2828274 C1CCN(CC1)C(=O)C2(C3=CC=CC=C3NC(=O)N2C4=CC=CC=C4)O 1 2.517 3 3 -5.31817968342428 2828251 CC(CCC(=O)NCCNC(=O)CCC(C)O)O 1 -0.885 2 4 0 -10.3900393206011 2828242 CCCOC(=O)C(=NNC(=O)C1=CC=CO1)C 1 1.259 2 4 0 -5.65174345025839 2828223 C1C(C1C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 2.955 3 3 -6.59393672001566 2828213 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2CC2C3=CC=CC=C3 1 3.223 3 1 -6.81673721483354 2828195 CCC(C12CC3CC(C1)CC(C3)(C2)O)N.Cl Cl- 1 1.512 1 1 0 -4.30803316973943 2828193 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CN.Cl Cl- 1 3.551 1 0 8.23532919128212 2828191 CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.O.Cl Cl- H2O 1 2.634 3 1 -3.58817092309545 2828189 COC1=CC=C(C=C1)C2N(C(=O)CS2)CC34CC5CC(C3)CC(C5)C4 1 4.121 1 2 -7.83542817415002 2828180 CC1C(=O)NC2(S1)CN3CCC2CC3 1 0.714 2 1 0 -3.01776766721796 2828176 C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)Br)CN.Cl Cl- 1 3.813 1 0 8.6006681367675 2828174 CC1C(=O)N(C(S1)C2=CC=CC=C2)CC(C3=CC=C(C=C3)[N+](=O)[O-])O 1 3.114 2 4 -7.17254865086047 2828172 C1CN2CCC1C3(C2)NC(=O)CS3.Cl Cl- 1 0.229 2 1 0 -2.46960375422602 2828171 C1CSC2(N1)C3CC4CC2CC(C3)C45NCCS5.Cl Cl- 1 1.727 2 0 0 -3.68889816739118 2828170 C1C2CC3(CC1CC(C2)(C3)SCC(=O)O)C(=O)O 1 1.769 0 4 0 -3.62411194992734 2828161 CC1C(=O)NC2(S1)C3CC4CC(C3)CC2C4 1 2.305 1 1 -4.3740907250899 2828159 C1CSC2(N1)C3CC4CC(C3)CC2C4.Cl Cl- 1 2.364 1 0 -3.0504252203405 2828158 CC1C(=O)NC(S1)C2=CC=C(C=C2)Cl 1 2.605 1 1 -4.60488430539602 2828154 C1C(=O)N(C(S1)C2=CC=CC=C2)CC(C3=CC=C(C=C3)[N+](=O)[O-])O 1 2.629 2 4 -11.9280474687867 2828153 C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)N.Cl Cl- 1 2.918 2 0 10.6414446469457 2828115 C1=CC(=CC(=C1)NC2=NC(=NC(=N2)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)N 1 5.729 5 2 0 -3.51961248166821 2828077 C1=CC(=CC=C1C(=O)CC(C(Cl)(Cl)Cl)N2C=NC=N2)[N+](=O)[O-] 1 2.82 4 3 0 -7.29406469114896 2828062 COC1=C(C=C(C=C1)C=NNC2=C3C4=C(CCCC4)SC3=NC=N2)OC 1 4.62 4 2 -7.40511494145439 2828055 CC1=C(SC2=NC=NC(=C12)NCC3=CC=CC=C3)C 1 3.675 3 0 -1.56122960362393 2828030 CC(=O)NC1=NN(C(S1)(C)C2=CC=CO2)C(=O)C 1 0.93 3 3 0 -9.23333537327168 2828021 CC(C)NC(=S)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 1 6.019 2 0 -9.15702474062228 2828003 C1COCCN1C(=S)NC23CC4CC(C2)CC(C4)C3 1 3.024 2 1 -11.5220269212325 2828002 CCCOC(=O)C1C(C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)O 1 3.548 0 4 -7.14619789223722 2827995 CNC(=S)NC12CC3CC(C1)CC(C3)C2 1 2.8 2 0 -8.03294315399169 2827992 C#CCOC1=NC(=NC(=N1)OCC#C)OCC#C 1 5.036 3 3 -3.33977053498654 2827985 CC1=NC(=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)C 1 3.567 1 2 -2.3405841592539 2827975 CCOC1=C(C=C(C=C1C)C2=C(C=CC=[NH+]2)O)C.[Cl-] Cl- 1 4.101 1 2 3.96598511922101 2827934 CC(=NOCON=C(C)C1=CC=C(C=C1)F)C2=CC=C(C=C2)F 1 3.564 2 2 -0.602233691328093 2827907 C1CCC2C(C1)C2C(=O)NC3=CC=CC=C3 1 2.752 1 1 -1.64615035482129 2827906 CC1=CC(=CC=C1)NC(=O)C2C3C2CCCC3 1 3.238 1 1 0.398149336881192 2827901 C1CCC2C(C1)C2C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.646 2 3 -3.54551595089303 2827898 CC1=CC=CC=C1NC(=O)C2C3C2CCCC3 1 3.238 1 1 -3.41626414900495 2827888 CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)NC2=NC=C(C=C2)Br)C 1 0.927 6 3 0 -8.32668580394424 2827840 CC1=CC=CC=C1NC(=O)CN2CCOCC2.Cl Cl- 1 1.13 2 2 0 -9.55912763721339 2827835 CCC(C(=O)NC1=C(C=C(C=C1C)C)C)N2CCCCCC2 1 4.796 2 1 -9.49731923222754 2827825 CC1=CC(=O)N2C=CC=C(C2=N1)O.Cl Cl- 1 -0.263 2 2 0 -7.81267031126173 2827818 COC1=C(C=C(C=C1)C2=C(C=CC=N2)OC(=O)C34CC5CC(C3)CC(C5)C4)OC.Cl Cl- 1 4.916 1 4 -0.34731586545034 2827816 CCC1=C(C=CC(=N1)C)OC(=O)C23CC4CC(C2)CC(C4)C3.Cl Cl- 1 4.234 1 2 -4.8194445712471 2827801 CC1=NC(=C(C=C1)O)CCC2=CC=C(C=C2)OC.Cl Cl- 1 3.141 1 2 1.74771767396463 2827794 CCOC1=C(C=C2C(=C(OC2=C1OCC)C(=O)N3CCN(CC3)C)C)[N+](=O)[O-].Cl Cl- 1 2.841 3 6 0 5.2951736462318 2827786 C1=CC=NC(=C1)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.731 4 2 0.434078483983794 2827750 C1=CC=C(C=C1)C(CC(=O)O)N2C(=O)C3=CC=CC=C3C2=O 1 2.204 1 4 -12.4710154414757 2827740 C1C(NC(S1)C2=CC=CO2)C(=O)O 1 -1.688 1 3 0 -15.5251255433423 2827739 CC(=O)OC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCOCC3 1 0.471 2 5 0 -1.81551078239954 2827732 CC(=O)N1C(CSC1C2=CC=C(C=C2)OC)C(=O)O 1 1.395 1 4 0 -9.84660978828622 2827725 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(=O)O 1 1.305 1 5 0 -8.03549385859458 2827720 C1C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)SCC(=O)O 1 1.637 1 4 0 -2.91000397422649 2827718 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(=O)O 1 0.956 1 5 0 -7.26927070688656 2827715 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)SCC(=O)O 1 1.637 1 4 0 -5.0343058071556 2827714 C1COCCN1C2CC(=O)N(C2=O)C3=CC(=CC=C3)Cl 1 1.368 2 3 0 5.18528528441888 2827709 CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N3CCOCC3 1 1.19 2 3 0 3.12274754549535 2827707 C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)SCC(=O)O 1 1.721 1 4 0 -6.49096555225704 2827571 COC1=CC2=C(C=C1)SC(=[N+]2CCCS(=O)(=O)[O-])SCCCS(=O)(=O)O 1 -3.3e-002 1 7 0 -9.03761421589457 2827568 CC1=CC2=C(C=C1)[N+](=C(S2)C)CCCS(=O)(=O)[O-] 1 0.319 1 3 0 -4.28838075730981 2827561 CC1=[N+](C2=C(C1(C)C)C=CC3=C2N=CC=C3)C.[I-] I- 1 2.77 2 0 3.86782522559235 2827535 CC1=C(OC2=C1C=CC(=C2OC)OC)C(=O)NCC(C)O 1 1.924 1 5 0 3.61673663717103 2827527 CC1=CC2=C(C=C1)N(C(=S)C=C2)C 1 3.463 1 0 1.55925748779826 2827513 COC1=CC=C(C=C1)N(CC2=CC=CC=C2)N=O 1 3.234 2 2 1.42704275679799 2827487 COC1=CC2=C(C=C1)C(=CN2)CCN.Cl Cl- 1 1.534 2 1 0 -1.61304029511915 2827482 CC(CC1=CNC2=CC=CC=C21)NC(=O)N 1 1.739 3 1 0 -6.04910432719195 2827475 CC(=O)N1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])SCCN.Cl Cl- 1 1.971 3 3 0 -2.0993934091994 2827474 CC(CC1=CNC2=CC=CC=C21)NC(=O)OCCCl 1 3.257 2 2 -7.56502488714891 2827468 CN1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3 1 2.092 2 1 0.671737445827725 2827450 C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CC=CC=C4C(=O)O 1 3.783 0 4 -2.01704431243045 2827442 CCCCN1CCC2=C(C1=O)NC3=C2C=C(C=C3)C 1 3.718 2 1 -3.7253594537237 2827420 C1CCN(CC1)CC#CC2=CC=CC=C2.Cl Cl- 1 3.411 1 0 5.55230192916489 2827417 C#CC(CO)N(CCN(CC1=CC=CC=C1)C(CO)C#C)CC2=CC=CC=C2 1 4.988 2 2 0.880110148680563 2827410 CC1=CC(C(C(C1)C(=O)O)C(=O)O)(C)C 1 1.566 0 4 0 -4.57502324315494 2827384 C1=CC=C(C=C1)COC(=O)C2C(C(=[N+](O2)[O-])C(=O)OCC3=CC=CC=C3)C4=CNC5=CC=CC=C54 1 1.748 2 6 0 -7.35907913157954 2827372 COC1=CC=C(C=C1)C(=O)OC(CN2C=CN=C2)COC3=CC=CC=C3 1 3.071 2 4 2.06410349653358 2827341 CCC1(C2(C1(C(N=C2N)(OC)OC)C#N)C#N)C 1 0.702 4 2 0 -1.81129041769369 2827292 CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=CC=C2)N 1 2.577 4 2 -2.04081220719189 2827303 CC1CCCC(=NNC(=O)NC2=CC=CC=C2)C1 1 2.568 3 1 -7.32980466567213 2827330 COC(=O)C(C(C(=O)OC)C(=O)OC)C(C(=O)OC)C(=O)OC 1 -0.379 0 10 0 -5.40849539009349 2827317 CCCCCC(=NNC(=O)NC1=CC=CC=C1)C2=CC=CC=C2 1 4.607 3 1 -6.0343461274591 2827308 CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CO2 1 1.953 3 4 0 -8.35800281571259 2827273 CC(C1=CC=CC=C1)NC(=O)C2CCC(C2(C)C)(C)C(=O)O 1 3.064 1 3 -6.58556197101155 2827255 CC1(CC1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C 1 2.809 2 3 -2.98500006288733 2827250 C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC3=CC=CC=C3 1 4.88 2 2 -5.79632620274573 2827236 CC1=CC=C(O1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(CC(CC3=O)(C)C)O 1 2.542 0 5 -0.681771682122683 2827233 CC1(CC(=O)C(C(=O)C1)CC2=C(CC(CC2=O)(C)C)O)C 1 1.928 0 4 0 -5.03457872328438 2827198 CCS(=O)CCSC(=N)N.Br Br- 1 0.274 2 1 0 0.324760042543902 2827177 C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CCSC3=CC=C(C=C3)F.[Br-] Br- 1 5.342 1 1 1.28892803040444 2827171 CC(C(=O)O)SCCC1=CC=CC=N1 1 1.657 1 2 0 -7.16163446500306 2827167 CC1=[N+](C=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)CC(=O)C3=CC=CC=C3.[Br-] Br- 1 5.667 1 3 -6.85511388943599 2827120 CCOP(=O)(C(C1=CC=C(C=C1)C)NC2=CC=CC(=C2)C(F)(F)F)OCC 1 4.861 1 3 -2.44049972303973 2827102 CCOP(=O)(C(C1=CC=C(C=C1)Br)NC2=CC=CC(=C2)C(F)(F)F)OCC 1 5.124 1 3 -2.07516077755435 2827090 CCOC1=CC=C(C=C1)C(NC2=CC=C(C=C2)C)P3(=O)OCCC(O3)C 1 3.812 1 4 -6.22777782600555 2827088 CCOC1=CC=C(C=C1)C(NC2=CC=C(C=C2)C)P3(=O)OCCCO3 1 3.435 1 4 -5.72517106277965 2827046 C1=CC=C(C(=C1)C(C2=C(C=C(C=C2)N(CCO)CCO)Cl)C3=C(C=C(C=C3)N(CCO)CCO)Cl)Cl 1 5.248 2 4 -2.43727440834865 2827036 C1=CC(=CC=C1C(C2=C(C=C(C=C2)N(CCO)CCO)Cl)C3=C(C=C(C=C3)N(CCO)CCO)Cl)Cl 1 5.248 2 4 0.538630152949755 2827031 C1CCN(CC1)C2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4 1 2.886 6 0 0.482231750994448 2827025 CC1=C(C(=NN1C(CC(=O)O)C(=O)O)C)Br 1 1.002 2 4 0 -8.64876974570111 2827015 CC(=O)NC(C)(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 1 2.695 1 2 -6.250360632904 2827008 C1CN(CC(C1(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4 1 4.128 1 2 5.87058339806807 2827007 CCCCN1CCC(C(C1)C(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.874 1 2 4.69341401248267 2827004 CC1CN(CCC1OC(=O)C2=CC=CC=C2)C.Cl Cl- 1 2.244 1 2 -4.67295856278633 2827002 CCC1(CC(N(CC1C)C)C)OC(=O)C2=CC=CC=C2.Cl Cl- 1 3.351 1 2 -5.55552249421429 2826990 C[N+]1=CC2=CC(=C(C=C2CC1)OC)OC.[I-] I- 1 1.994 1 2 0 -2.41977726238421 2826978 C1CCC2(C(=NC3=CC=CC=C32)C1)CCC#N 1 3.116 2 0 -4.23145113267971 2826961 CC[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC(=C(C=C3)OC)OC.[I-] I- 1 4.47 1 4 -2.07456708902573 2826957 CC1=[N+](C(=CC2=CC=CC=C12)CC3=CC=CC=C3)C.[I-] I- 1 4.333 1 0 0.488178012649568 2826952 COC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=C2C=CC(=C3)OC.[Br-] Br- 1 3.857 1 3 -0.301459280892249 2826951 CCC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=C2C=CC(=C3)OC.[Br-] Br- 1 4.816 1 2 8.77294026509466e-002 2826950 CC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=C2C=CC(=C3)OC.[Br-] Br- 1 4.36 1 2 0.327167538430032 2826949 COC1=CC2=C(C=C1)[N+](=CC=C2)CC(=O)C3=CC=CC=C3.[Br-] Br- 1 3.873 1 2 -0.565874255604095 2826945 CC1=CC2=C(C=C1)[N+](=CC=C2)CC(=O)C3=CC=C(C=C3)OC.[Br-] Br- 1 4.36 1 2 0.621998967390556 2826944 CC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=C2C=CC(=C3)C.[Br-] Br- 1 4.862 1 1 0.388550484324798 2826943 CC1=CC2=C(C=C1)[N+](=CC=C2)CC(=O)C3=CC=CC=C3.[Br-] Br- 1 4.376 1 1 0.141923382500569 2826925 CCC1=[N+](CCN2C1=CC=C2C)C.[I-] I- 1 2.154 2 0 -3.38067700131581 2826917 CC1=C2C=CC=[N+]2C=CN1C.[I-] I- 1 1.275 2 0 0 1.56738175812521 2826916 CC1=CN=C(C=[N+]1CC(=O)C2=CC=CC=C2)C.[Br-] Br- 1 1.968 2 1 0 -3.31401424859619 2826887 C1CCN(CC1)C2=NC(=NC(=N2)OCC(F)(F)F)N3CCNCC3 1 1.922 6 1 0 -4.89416985516247 2826864 CC1=CC(=C(C(=C1)C)C(CC(=O)C2=CC=CS2)C(C#N)C#N)C 1 4.671 2 1 -7.10625943702816 2826863 CCC(C)NC(=S)NC1=CC=CC=C1 1 3.762 2 0 -11.1949796502082 2826845 CC(=NOCON=C(C)C1=CC=CC=C1)C2=CC=CC=C2 1 3.153 2 2 -2.10975828430269 2826836 CNC1=NC(=NC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])OCC(F)(F)F 1 2.643 6 3 0 -7.58504029950738 2826818 C1=CC=C2C(=C1)C=CC=[N+]2CC3=C(C=CC(=C3)[N+](=O)[O-])Cl.[Br-] Br- 1 4.776 2 2 0.754399199969981 2826792 C1C(C1C(=O)NN)C2=CC=CC=C2 1 0.717 2 1 0 -3.2345154376082 2826775 CC(CC1=CC=CC=C1)NC(=O)NC(C)CC2=CC=CC=C2 1 3.934 2 1 -3.94115840558332 2826774 CC(C1=CC=CC=C1)NC(=O)CC2=CC=CC=C2 1 3.033 1 1 -10.4672627008736 2826771 CC1CC2=CC=CC=C2C(=O)N1 1 1.49 1 1 0 -2.76399855057445 2826770 CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2OC 1 2.982 1 2 -10.408883275394 2826762 CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)O 1 2.121 2 2 -6.70299069865727 2826754 CC1=C(CC(C(C1)C(=O)C2=CC=CC=C2)C(=O)O)C 1 3.329 0 3 -1.26392259991022 2826706 CC1=CC(=C(C=C1C)NC(=S)NCCCOC)C 1 3.902 2 1 -13.3139906198566 2826692 CC1=CC(=C(C=C1)NC(=S)NCC2=CC=CO2)C 1 4.25 2 1 -10.8193693726648 2826690 CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC=CO2 1 4.428 2 1 -6.89848348707694 2826688 C1=CC(=C(C(=C1)Cl)Cl)NC(=S)NCC2=CC=CO2 1 4.606 2 1 -8.24145748046488 2826674 CCC1=C(C(=CC=C1)CC)NC(=S)NC2=C(C(=CC=C2)Cl)Cl 1 7.58 2 0 -4.24890914579436 2826665 C1=CC=C(C=C1)CCNC(=S)NC2=C(C=CC=C2Cl)Cl 1 5.745 2 0 -6.13526794492722 2826651 CC(C)C1=CC=C(C=C1)NC2=NN=NS2 1 2.151 4 0 -1.67901341246048 2826639 CCCNC1=C(C(=O)C1=O)N 1 -0.869 2 2 0 -2.05662208960917 2826631 C1=CC=C(C=C1)CNC2=C(C(=O)C2=O)N 1 -0.158 2 2 0 -1.26733216767741 2826629 CC1=NC2=C(C=C(C=C2)C(=O)OC)N=C1C 1 1.714 2 2 0 -4.78666093146639 2826628 CCNC1=C(C(=O)C1=O)NCC 1 -0.612 2 2 0 -2.89792623558419 2826627 CCOC1=C(C(=O)C1=O)N2CC(OC(C2)C)C 1 0.47 1 4 0 -6.16324777961361 2826621 CCOC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C)C 1 2.063 2 2 -6.1238910746514 2826620 CCOC1=C(C(=O)C1=O)N2CCCCC2 1 0.945 1 3 0 -2.38104299870437 2826619 C1=CC2=C(C=C1F)NC3=C(N2)C(=O)C3=O 1 0.774 2 2 0 -6.05498633840535 2826618 CCOC1=C(C(=O)C1=O)NC2=CC=CC=C2O 1 1.104 1 4 0 1.05545718179312 2826617 CCC1=NN(C2=C(C(=O)C2=O)N(N1)C)C 1 1.129 4 2 0 -0.246857151359729 2826616 CC(C)OC1=C(C(=O)C1=O)N2CCOCC2 1 9.3e-002 1 4 0 -4.45176597936405 2826615 CC1=C(C2=C(C=C1)NC3=C(N2)C(=O)C3=O)C 1 1.541 2 2 0 -3.61991147442571 2826614 CC1=CC2=C(C=C1C)NC3=C(N2)C(=O)C3=O 1 1.541 2 2 0 -5.38446008032033 2826612 CC1=NN(C2=C(C(=O)C2=O)N(N1)C)C 1 0.462 4 2 0 -0.365414546812322 2826609 CCOC1=C(C(=O)C1=O)NC2=CC=C(C=C2)C(=O)OCC 1 1.55 1 5 0 -5.51711908078578 2826598 CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)[N+](=O)[O-] 1 1.049 2 5 0 -12.3899100868098 2826577 C1=CC=C(C=C1)C(=O)NC(=S)NCCC2=CC=CC=N2 1 2.807 3 1 -13.0833196333645 2826565 C1=CC(=CN=C1)CNC(=S)N 1 0.658 3 0 0 -6.19636171522164 2826563 CCO/C(=C/1\C(=O)NC(=S)S1)/C 1 1.643 1 2 0 -2.38529548897407 2826441 C1=CC=C2C(=C1)C(=O)C(=C(O2)O)CC(=O)C3=CC=C(C=C3)C(F)(F)F 1 4.169 0 4 3.54715794582887 2826435 CC1=CC(=CC(=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)C 1 3.669 1 4 -1.00644556089812 2826422 COC1=C(C=C(C=C1)CC(=O)NNC(=S)NCC2CC2)OC 1 2.242 3 3 -14.8821671802307 2826390 CC1=C(CC(C(C1)C(=O)NC2=C(SC=C2)C(=O)OC)C(=O)O)C 1 2.518 1 5 -7.1088861803281 2826345 COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=CO4)C(=O)O 1 2.999 1 5 -4.62334688223374 2826344 CC1=C(CC(C(C1)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)O)C 1 2.477 1 5 -6.01085461989804 2826337 C1=CC=C2C(=C1)C(C(N(C2=O)CC3=CC=C(C=C3)F)C4=CC=NC=C4)C(=O)O 1 2.889 2 3 -1.88785579756555 2826293 CN1C2=C(CN(CN2)CC3=CC=C(C=C3)F)C(=O)N(C1=O)C 1 1.236 4 2 0 -8.85465947716556 2826273 CSCC(CN1C(=O)C2=CC=CC=C2C=N1)O 1 1.162 2 2 0 -6.21816887245864 2826251 C1CN(CCC1NC(=O)COCC(=O)O)CC2=CC=CC=C2 1 -2.749 2 4 0 -6.39070803287556 2826209 CC1=C(CC(C(C1)C(=O)NCC2=CC=CC=N2)C(=O)O)C 1 1.781 2 3 0 -9.19986084141773 2826207 COC1=CC=C(C=C1)CN2C(=O)C3=CC(=C(C=C3NC2=O)OC)OC 1 2.304 2 5 0 -5.49407074554515 2826197 CC1=C(C=CC(=N1)NC(=O)C2=NC=CN=C2)Br 1 1.161 4 1 0 -6.5631257439736 2826098 COC1=CC(=CC(=C1OC)OC)NC(=S)NC2=CC3=C(C=C2)OCCO3 1 4.103 2 5 0 -13.1412885069898 2826089 CC(=O)SC1CC(=O)N(C1=O)C2=CC=C(C=C2)C(C)(C)C 1 2.675 1 3 -0.34432203334139 2826086 CSC1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2 1 1.921 3 1 0 -4.81081988057654 2826085 CC1=C(C=CC(=C1)Cl)NNC(=S)N 1 2.904 3 0 -0.275433254105181 2826081 COC1=CC(=CC(=C1OC)OC)N2C(=O)CC3(CCCC3)CC2=O 1 2.396 1 5 -4.85025850571383 2826073 CN(C)/C=C/1\CC2=CC=CC=C2C1=O 1 1.829 1 1 0 0.461977579851742 2826069 COC(=O)C1=CC=CC=C1SC(CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F 1 5.549 0 3 -6.13630418744923 2826036 C1CS(=O)(=O)C2=NC3=CC=CC=C3C(=O)N21 1 1.039 2 3 0 -7.10592816823336 2825993 C1=CC=C(C=C1)NC2=NC(=O)C3=CC=CC=C3O2 1 3.049 2 2 0.629414321460055 2825992 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=CC=CC=C3 1 2.468 1 3 -2.33073252950595 2825989 CC(C)(C)C1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=CC=CC=C3 1 3.885 1 2 0.660367828749492 2825953 C1C(=O)N(C(=O)CS1)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.102 2 2 1.0178630720483 2825947 C1=CC=NC(=C1)NC(=O)CSCC(=O)O 1 0.301 2 3 0 -10.0671059027722 2825946 C1C(C(=O)N(C1=O)CC2=CC=NC=C2)SC3=CC=C(C=C3)Cl 1 2.588 2 2 4.37385603157921 2825944 C1CCN(CC1)CC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)Cl 1 4.935 2 1 15.6912955771726 2825942 C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=CC(=CC=C3)F 1 3.819 2 1 -7.98806594816477 2825931 C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4C=C3 1 4.676 1 1 -0.605725652163765 2825914 CC1CN(CC(O1)C)CN2C(=O)C3=CC=CC=C3C2=O 1 1.426 2 3 0 -6.21926430359505 2825911 COC1=C2C=CC=C3C2=C(CCC3=O)C=C1 1 2.787 0 2 1.01865417463695 2825910 C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)CC#N)C=C2 1 3.858 1 0 1.1030345930631 2825799 C1=CC=C(C=C1)C2=NC=C(C(=N2)C(F)(F)F)C3=NN=NN3C4=CC=CC=C4 1 3.854 6 0 -0.60345570770463 2825784 CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC=C(C=C2)Cl 1 4.127 3 2 -6.47592164358196 2825776 CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC(C)(C)C 1 2.54 3 2 -13.5568405860257 2825671 CCC1=C(C(=C(N1)C(=O)OCC)CCC(=O)OCC)C(=O)OCC2=CC=CC=C2 1 4.365 1 6 0 -12.6169629084372 2825669 CCOC(=O)CC1=C(NC(=C1)C)C(=O)OCC 1 1.803 1 4 0 -10.5796544260706 2825592 C1=CC=C2C(=C1)C(=O)N(C2=O)C(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O 1 1.318 2 6 0 -5.8239241926864 2825491 CC(C)N1C(=O)C2=CC=CC=C2N(S1(=O)=O)CC3=CC=CC=C3 1 2.466 2 3 -1.5502154722924 2825459 CN(C)/C=C(/C1=NN=NN1C2=CC=CC=C2)\C(=O)C3=CC(=CC=C3)Cl 1 3.161 5 1 -5.14132640667857 2825456 CN(C)/C=C(/C1=NN=NN1C2=CC=C(C=C2)F)\C(=O)C3=CC=CC=C3 1 2.702 5 1 -8.51661470220055 2825455 CN(C)/C=C(/C1=NN=NN1C2=CC=C(C=C2)OC)\C(=O)C3=CC=CC=C3 1 2.48 5 2 0 -9.64145793680994 2825454 CN(C)/C=C(/C1=NN=NN1C2=CC=CC=C2)\C(=O)C3=CC=CC=C3 1 2.496 5 1 -10.1880157003017 2825249 CSC1=NC2=C(C3=CC=CC=C3C4=CC=CC=C42)N=N1 1 4.228 3 0 7.50604904519039e-003 2825239 C1=CC=C(C=C1)C2=CC(=NC3=NC4=CC=CC=C4N23)N 1 3.69 4 0 0.879259893061248 2825155 CC(C)C(C1=NC=CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3 1 4.569 1 2 -3.7897626225876 2825127 CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3 1 3.673 3 4 0 -2.80183167352307 2825037 C=CCNC(=S)NNC(=O)C1=CC=CC=C1 1 2.036 3 1 -12.8380331267724 2824991 CN1C(=O)CC(NC2=CC=CC=C21)C3=CC=CC=C3.Cl Cl- 1 2.511 2 1 -2.30589441297457 2824985 CC1CC(=O)NC2=CC=CC=C2N1C(=O)NC 1 0.584 3 2 0 -14.6437903029624 2824963 CC(=O)NC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)O)C(=O)O 1 2.328 1 5 -7.10878497705116 2824945 CC(=O)OCC1=CC=CC=C1S(=O)C2=CC=CC=C2C(=O)NC 1 1.819 1 4 0 -6.26287077244637 2824943 CNC(=O)C1=CC=CC=C1SC2=CC=CC=C2CO 1 2.552 1 2 -8.18221159840904 2824901 CC1=CC=CC=C1S(=O)C2=CC=CC=C2C(=O)O 1 2.952 0 3 2.95961292422735e-002 2824832 C1=CC=C(C=C1)C2=CC(=NC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N)C4=CC=CC=C4 1 4.207 4 2 -0.584185532604593 2824755 CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)F)F 1 3.022 2 1 -5.2455363244372 2824712 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=CC=CC=N3 1 2.182 2 3 -14.2235512540501 2824632 CC1CN(CC(O1)C)C2=CC=C(C=C2)NC(=S)NNCCC#N 1 2.532 5 1 -11.6933313422546 2824630 CC1CN(CC(O1)C)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)N4CC(OC(C4)C)C 1 5.576 4 2 -8.51145884429408 2824624 C1=CC=C(C=C1)CNC(=S)NCC2=CC=CC=N2 1 2.889 3 0 -9.35903559001195 2824612 CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)C(F)(F)F 1 4.59 2 1 -9.15440677623366 2824563 CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)OC)OC 1 1.639 1 4 0 -9.95393370009892 2824554 C1CN2C(=O)C3=CC=CC=C3C2(N1)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F 1 4.065 2 1 -5.49308053138289 2824547 CN1C(=O)N=C(N1)C2=CC=C(C=C2)OC 1 1.063 3 2 0 -0.880787039644015 2824511 C1=CC(=CN=C1)C2=NC(=CS2)C(=O)NNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.858 4 2 -0.498344238199419 2824500 C1=CN=CC=C1C2=NC(=CS2)C(=O)N 1 0.49 3 1 0 0.31809217953494 2824481 C1CSCCN1C2=NSC(=C2C#N)C3=CC=CC=C3Cl 1 3.709 3 0 -1.54966026853755 2824458 C1=CC=C(C=C1)C=NNC2=NC=CC(=N2)C3=CN=CC=C3 1 2.35 5 0 -2.77438244539382 2824435 COC1=C(C(=CC=C1)OCC2=CC=C(C=C2)Cl)C#N 1 3.923 1 2 -1.30766342915908 2824418 C1CCC2=C(C(C1)OC(=O)NC3=CC(=CC=C3)Cl)N=CC=C2 1 4.484 2 2 -2.92849016824576 2824417 CCOC1=C(C(=O)C1=O)NC2=CC(=CC=C2)Cl 1 2.01 1 3 2.51387870665879 2824416 C1CCC2=C(C(C1)OC(=O)NC3=CC=CC=C3)N=CC=C2 1 3.82 2 2 -5.83401356332455 2824412 COC1=CC=CC(=C1)NC2=C(C(=O)C2=O)NC3=CC(=CC=C3)OC 1 2.366 2 4 0.765581530606411 2824410 CCOC1=C(C(=O)C1=O)NC2=CC=C(C=C2)C(C)C 1 2.54 1 3 -0.344272104927608 2824404 C1CC2=C(C=CO2)C(=NOC(=O)C3=C(C=C(C=C3)Cl)Cl)C1 1 4.208 1 3 1.23545038141528 2824400 C1CC2=C(C=CO2)C(=NOC(=O)NC(=O)C3=C(C=CC=C3F)F)C1 1 3.071 2 4 -7.55506863008849 2824396 C1CC2=C(C=CO2)C(=NOC(=O)NC3=CC=CC=C3)C1 1 2.788 2 3 -4.42898372847159 2824386 C1=CC2=C(C=C1C(F)(F)F)NC3=C(N2)C(=O)C3=O 1 1.511 2 2 0 -3.45012830652416 2824357 CC1=C(SC2=CC=CC=C12)C=NO 1 3.296 1 1 6.61177391989822 2824334 C1=CC(=CN=C1)C2=NC(=CS2)C(=O)NCC3=CC=C(C=C3)Cl 1 2.944 3 1 -5.03540001910623 2824333 C1=CC=C(C=C1)CNC(=O)C2=CSC(=N2)C3=CN=CC=C3 1 2.28 3 1 -7.76960784099743 2824323 C1=CC(=CC(=C1)NN=C(C#N)C(=O)C2=CSC(=N2)C3=CN=CC=C3)C(F)(F)F 1 3.931 5 1 4.84893066344257 2824308 CC1=C(SC=C1)C2CC(=O)NC3=CC=CC=C3S2 1 3.371 1 1 -4.75528637912812 2824261 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C 1 4.94 1 2 5.00773945794547 2824246 C1=CC=C(C=C1)CSC2=NC=CC(=N2)C3=CC=CO3 1 4.039 2 1 -3.58888561355508 2824238 C1=CC(=CN=C1)C2=NC(=CS2)C(=O)NC3=C(C=C(C=C3)Cl)Cl 1 3.602 3 1 -1.66316057951305 2824236 C1=CC=C(C(=C1)NC(=O)C2=CSC(=N2)C3=CN=CC=C3)Cl 1 2.937 3 1 -3.59241009505479 2824177 C1=CC(=CN=C1)C2=NC(=CS2)C(=O)NNS(=O)(=O)C3=C(C=C(C=C3)F)F 1 1.644 4 3 0 -5.24245246592519 2824175 C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CSC(=N2)C3=CN=CC=C3 1 1.233 4 3 0 -7.95259888090147 2824173 C1=CC=C(C=C1)C(=O)NNC(=O)C2=CSC(=N2)C3=CN=CC=C3 1 1.53 4 2 0 -4.35467911044277 2824171 C1=CC(=CN=C1)C2=NC(=CS2)C(=O)NNC(=O)NC3=CC=C(C=C3)Cl 1 2.102 5 2 0 -2.04133525232087 2824168 CNC(=O)C1=CSC(=N1)CC2=C(SC3=C2C=C(C=C3)Cl)Cl 1 3.867 2 1 -2.80697124598838 2824158 CS(=O)(=O)NNC(=O)C1=CSC(=N1)CC2=C(SC3=C2C=C(C=C3)Cl)Cl 1 2.827 3 3 -4.32540956000557 2824157 CNC(=O)NNC(=O)C1=CSC(=N1)CC2=C(SC3=C2C=C(C=C3)Cl)Cl 1 3.032 4 2 -3.51860823429598 2824156 CC(=O)NNC(=O)C1=CSC(=N1)CC2=C(SC3=C2C=C(C=C3)Cl)Cl 1 3.036 3 2 -1.76553771577055 2824155 C1=CC2=C(C=C1Cl)C(=C(S2)Cl)CC3=NC(=CS3)C(=O)NN 1 3.169 3 1 4.56694568084899e-002 2824129 CC1=C(SC2=C1C=C(C=C2)Cl)CC(=O)NC3=CC=C(C=C3)Cl 1 5.617 1 1 1.32140559047028 2824126 CNC(=O)ON=C(CC1=CSC2=C1C=C(C=C2)Cl)N 1 2.279 3 2 1.92882023270035 2824093 CC1=CC2=C(C=C1)SC=C2CC(=O)NC 1 2.42 1 1 -7.20588710690625 2824077 CC1=NC2=C(O1)C=C(C=C2)NC(=O)NC(=O)C3=C(C=CC=C3Cl)Cl 1 3.509 3 3 -3.46421972653642 2824075 CC1=NC2=C(O1)C=C(C=C2)NC(=O)NC(=O)C3=C(C=CC=C3F)OC 1 2.37 3 4 0 -4.92260607805043 2824070 CC1=NC2=C(O1)C=C(C=C2)NC(=O)NC 1 0.732 3 2 0 -5.93889516345587 2824055 C1=CC=C(C=C1)C(=O)CC2=CC=CC(=C2)C(=O)N 1 2.271 1 2 -4.2654011069226 2823980 CC(C)C1=CC=C(C=C1)C=NNC(=S)NC 1 3.425 3 0 -6.25441696077819 2823920 C1=CC(=CC(=C1)O)C=NNC(=O)NN=CC2=CC(=CC=C2)O 1 2.176 4 3 0 -0.889931490411992 2823905 COC1=CC=C(C=C1)C=NNC(=S)NCCC2=CC=CC=C2 1 4.119 3 1 -8.16464697722667 2823904 COC1=CC(=CC(=C1OC)OC)C=NNC(=S)NCCC2=CC=CC=C2 1 4.087 3 3 -11.4339601524513 2823903 COC1=CC(=C(C=C1)OC)C=NNC(=S)NCCC2=CC=CC=C2 1 4.103 3 2 -8.26136367970589 2823902 COC1=CC=CC(=C1OC)C=NNC(=S)NCCC2=CC=CC=C2 1 4.103 3 2 -8.36000293698825 2823865 CCOC(=O)C1=CC=C(C=C1)NC(=S)NN 1 1.947 3 2 0 -8.74555865335914 2823848 C1CCC2C(C1)NC(=S)N2 1 1.907 2 0 0 -2.2479365199268 2823829 C1=CC(=CC=C1NC(=O)NC(=O)C2=C(C=C(C=C2)F)F)Cl 1 3.47 2 2 1.3549063095577 2823799 C1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)Cl 1 3.287 1 2 -3.92207653048272 2823757 CC(C)(C)C1=CC=C(S1)C(=O)NC2=CC=C(C=C2)F 1 4.465 1 1 -1.89427507642869 2823737 COC1=C(C=C2C(=C1)CCN=C2C3=CC=C(C=C3)Cl)OC 1 4.201 1 2 -0.157686275665545 2823735 CC1=C(C=C2CN(CC2=C1)C3=CC=CC=C3)C 1 4.301 1 0 2.19109825082957e-002 2823727 CCC(=O)N1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl 1 2.726 3 1 -2.02405928518113 2823724 C1CCC(CC1)NS(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC=CC=C3 1 3.255 2 3 -13.2598686587797 2823722 C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=CC(=CC=C4)Br 1 4.175 3 2 -7.76519873929181 2823719 CC(C)N(C(C)C)C(=O)N1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl 1 3.714 4 1 -1.5501005662205 2823715 C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=CC=CC=C4OC(F)(F)F 1 5.547 3 3 -6.99303411010222 2823713 C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)C4=CC=CO4 1 3.119 3 2 1.26981758145765 2823712 CC(=O)N1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl 1 2.059 3 1 0.818259993550001 2823708 C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=CC=CS4 1 3.213 3 2 -7.55449657873983 2823702 C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=CC=CC(=C4)C#N 1 3.305 4 2 -11.2843825218786 2823701 CC(C)S(=O)(=O)N1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl 1 2.576 3 2 -5.17455450439686 2823695 C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=CC=C(S4)Br 1 3.781 3 2 -6.5515971807318 2823694 CCS(=O)(=O)N1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl 1 2.199 3 2 -11.3303675634267 2823693 C1CCC(CC1)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl 1 4.186 3 1 0.811839370377176 2823689 CS(=O)(=O)N1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl 1 1.85 3 2 0 -7.67940089869802 2823688 C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.321 4 4 0 -11.2574842999919 2823686 C1CC(C1)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl 1 3.273 3 1 1.10085865764734 2823685 C1=CC=C(C=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)NC3=CC=CC=C3Cl 1 3.638 2 3 -7.54323140767575 2823681 CC1=CC(=C2C(=C1)C=C(N2)C(=O)NC3=C(C=C(C=C3)F)Br)C 1 5.125 2 1 0.169884168579059 2823673 CC1=CC(=C2C(=C1)C=C(N2)C(=O)NC3=CC4=C(C=C3)OCO4)C 1 3.94 2 3 -2.1367591865617 2823672 CCC1=CC2=C(C=C1)NC(=C2)C(=O)N(C)C3=C(C=C(C=C3)F)F 1 4.758 2 1 3.8629167490489 2823669 CC1=CC(=C2C=C(NC2=C1)C(=O)N(C)C3=C(C=C(C=C3)F)F)C 1 4.788 2 1 2.2320007041753 2823668 CCCCNC(=O)C1=CC2=C(C=C(C=C2N1)C)C 1 3.924 2 1 -3.70432991256484 2823667 CCC(C)C1=CC=CC=C1NC(=O)C2=CC3=C(N2)C(=CC=C3)[N+](=O)[O-] 1 4.744 3 3 -2.5272684539626 2823665 CC(COC)NC(=O)C1=CC2=C(N1)C(=CC=C2)[N+](=O)[O-] 1 1.764 3 4 0 -6.91305420812487 2823662 CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(N2)C(=CC=C3)[N+](=O)[O-])F 1 3.785 3 3 -1.88240954911091 2823660 CCCCNC(=O)C1=CC2=C(N1)C(=CC=C2)[N+](=O)[O-] 1 2.846 3 3 -5.6043915297854 2823650 CCC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.91 2 3 3.13177899978465e-002 2823648 CCC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=C(C=C(C=C3)F)Br 1 5.095 2 1 2.3379611451386 2823644 CCC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=NC(=C(C=C3)Br)C 1 4.561 3 1 3.95221609889221 2823643 CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)CC 1 3.894 2 1 -1.77968064746601 2823642 CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C(C=C3N2)C)C)F 1 4.863 2 1 2.76484367647337 2823639 CCC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC(=C(C=C3)C)F 1 4.833 2 1 4.73129468124995 2823635 CC1(OC2[C@H](O[C@H](C2O1)N3C=NC4=C3N=CN=C4N)CO)C 1 -1.146 5 4 0 -12.8280604112873 2823634 CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CN=C4NC(=O)OC(C)(C)C)CO)C 1 0.296 5 6 0 -16.6225811103244 2823633 CC1=CC(=NC2=C1C=CC(=O)N2CC(=O)NN=CC3=CC=CC=C3Cl)C 1 2.985 4 2 -4.03473086065003 2823630 C1CCN(CC1)C2=NOC(=N2)C3=CC=CS3 1 2.459 3 1 1.15473661010769 2823624 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC 1 4.328 3 2 -9.70584369149797 2823623 CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.379 3 4 0 -4.62694559747449 2823621 CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br 1 3.839 2 2 -1.5162007017426 2823611 CN1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC=CC=C3 1 1.56 3 3 0 -17.0635960092494 2823610 CC(C)N1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)O)N=C1C(F)(F)F 1 2.473 3 2 -4.38982701295741 2823609 CC(C)N1C2=C(C=C(C=C2)C(=O)N3CCCCC3)N=C1C(F)(F)F 1 3.957 3 1 -5.2755276408869 2823608 CC(C)N1C2=C(C=C(C=C2)C(=O)N3CCOCC3)N=C1C(F)(F)F 1 2.728 3 2 -6.84382409066249 2823604 COC(=O)CSC1=C2C=CC(=CC2=NC=C1)Cl 1 2.929 1 2 -5.22475173539917 2823591 CN1C(=O)[C@@H](NC1=S)CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.073 3 3 -4.2418405690276 2823581 C1COCCN1C2=CC(=NC3=C2C=C(C=C3)F)C(F)(F)F 1 3.442 2 1 4.50425015295819 2823580 CN1CCN(CC1)C2=CC(=NC3=C2C=C(C=C3)F)C(F)(F)F 1 3.712 3 0 9.07274167168461 2823574 C1=CC(=C(C(=C1)Cl)CSC2=NN=NN2C3=CC=C(C=C3)O)F 1 4.011 4 1 -14.5135251516326 2823566 CCOC(=O)CSC1=NN=C(N1C)C2=CC3=C(C=C2)N=CC=C3 1 2.65 4 2 -9.79376586017498 2823560 C1CN(CCN1CCO)C2=CC(=NC3=C2C=CC=C3F)C(F)(F)F 1 3.172 3 1 7.30983219693963 2823555 CC(=O)CSC1=NN=C(N1CC=C)C2=CC3=C(C=C2)N=CC=C3 1 2.793 4 1 -9.26311208612872 2823554 C=CCN1C(=NN=C1SCC#N)C2=CC3=C(C=C2)N=CC=C3 1 2.942 5 0 -8.94298965826835 2823552 CSC1=NN=C(N1CC=C)C2=CC3=C(C=C2)N=CC=C3 1 3.211 4 0 -2.23237227124259 2823546 CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)OC)NC=N3 1 3.324 4 3 0 -2.96311487381655 2823544 C1CN(CCN1CC2=CC=CC=C2)C3=CC(=NC4=CC=CC=C43)C(F)(F)F 1 5.09 3 0 9.06330012898458 2823541 CC(C)(C)OC(=O)NCC1=NN=C(N1C)SCC(=O)N2CCOCC2 1 0.331 5 4 0 -23.8326445553121 2823539 CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC(=CC=C4)OC)NC=N3 1 3.324 4 3 0 -4.25882174692201 2823538 CC(C)NC(=O)CSC1=NN=C(N1C)CNC(=O)OC(C)(C)C 1 1.164 5 3 0 -27.7333085085545 2823534 COC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)SN=N3)OC 1 2.755 3 3 -11.3626213019004 2823532 CC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)SN=N3 1 3.274 3 1 -10.4106469733056 2823523 CC(C)(C)OC(=O)NCC1=NN=C(N1C)SCC2=C(C=CC=C2Cl)Cl 1 4.29 4 2 -17.1934722753079 2823496 CCN1C(=NN=N1)SCC(=O)NC2CC3=CC=CC=C3C2 1 1.64 5 1 0 -24.2838697233323 2823494 C1CN(CCN1CCO)C2=CC(=NC3=CC=CC=C32)C(F)(F)F 1 2.967 3 1 8.96764631551524 2823462 C1C(CC2=CC=CC=C21)NS(=O)(=O)C3=CC=CC=C3 1 2.749 1 2 -6.02281572402207 2823461 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2CC3=CC=CC=C3C2 1 1.869 2 3 0 -9.69637011674046 2823457 C1C(CC2=CC=CC=C21)NC(=O)NC3=CC=CC4=CC=CC=C43 1 3.862 2 1 -7.98208628053608 2823456 CCOC1=CC=CC=C1NC(=O)NC2CC3=CC=CC=C3C2 1 3.286 2 2 -11.3307040218651 2823435 COC1=CC(=CC(=C1)NC(=O)NC2CC3=CC=CC=C3C2)OC 1 2.921 2 3 -8.9966061090764 2823428 CC(C)NC(=O)CSC1=NN=C(N1C)C2=CC3=C(C=C2)N=CC=C3 1 2.38 5 1 -15.3246644929154 2823427 CN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC4=C(C=C3)N=CC=C4 1 1.548 5 2 0 -11.0827878342558 2823401 C1=CC(=CC=C1C2=CC(=NC(=N2)N)C(F)(F)F)Cl 1 3.807 3 0 5.93716894179686 2823400 C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2)C4=CC(=CC=C4)[N+](=O)[O-])C(F)(F)F 1 5.262 4 2 -6.28669853088216 2823339 COC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2 1 3.079 3 2 -10.3171904684796 2823335 C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2)SN=N3)Cl 1 3.452 3 1 -6.11426530150392 2823326 COC1=CC=C(C=C1)C2=CC(=NC(=N2)N)C(F)(F)F 1 3.127 3 1 3.7022040420659 2823309 C1=CC2=C(C=CC(=C2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl)N=C1 1 2.722 3 2 -0.826522781655888 2823304 C1=COC(=C1)CSCCNC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 3.654 2 2 -5.24946623447934 2823303 C1=COC(=C1)CSCCNC(=O)NC2=CC=C(C=C2)Cl 1 2.989 2 2 -4.43028666197385 2823301 CC1=C(C=C(C=C1)S(=O)C)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3 1 2.77 4 3 0 -2.58621826243976 2823300 CC1=C(C=CC=C1S(=O)C)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3 1 2.77 4 3 0 -0.288069817360223 2823252 C1CN(CCC1NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3 1 4.169 3 2 5.55680224569963 2823236 CC1=C(C=CC=C1OC)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3 1 3.324 4 3 0 -2.33371628740173 2823226 CCCN1C(=O)C(=CN(C1=O)C2CC2)C#N 1 0.601 3 2 0 -10.0846963863528 2823225 CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)O)NC=N3 1 2.97 4 4 0 -6.48713071911412 2823223 CCCN1C(=O)C(=CN(C1=O)C2=CC=CC=C2C)Br 1 2.788 2 2 -3.85791257388181 2823219 CC1=C(C=C(C=C1)C(=O)O)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3 1 2.97 4 4 0 -6.43812224879646 2823215 CC1=C(C=C(C=C1)C(=O)OC)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3 1 3.195 4 4 0 -8.43364821525181 2823211 CC1=C(C=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3)C(=O)OC 1 3.195 4 4 0 -6.78771208416761 2823210 CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)OC)NC=N3 1 3.324 4 3 0 -4.02754296991192 2823209 CC1=CC=CC=C1N2C(=CC(=O)N(C2=O)CC3=CC=C(C=C3)OC)N 1 2.81 3 3 -3.31813590449018 2823202 CC1=C(C(=CC=C1)C)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3 1 3.826 4 2 -3.97921155685115 2823198 C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)NC(=S)NC3=CC=CC=C3Cl 1 5.388 3 1 -2.90892393857577 2823197 C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)NC(=S)NC3=CC=CC=C3 1 4.724 3 1 -4.19530065288021 2823195 CC1=C(C=C(C=C1)OC)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3 1 3.324 4 3 0 -2.61910489748225 2823192 CC1=C(C=C(C=C1)OC)N2C(=CC(=O)N(C2=O)CC3=CC=CC=C3)N 1 2.81 3 3 -1.90969783206051 2823191 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.726 3 2 -12.3751915811714 2823186 CCCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC=CC=C3C 1 2.629 4 2 -5.45966198156129 2823175 C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Cl 1 2.733 2 2 -5.26380631384931 2823142 COC1=CC=CC=C1CCN2C=C(C(=O)NC2=O)C#N 1 0.921 3 3 0 -10.2504820652997 2823137 C1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)C#N 1 0.616 3 2 0 -7.98240100549298 2823129 C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)SCC(=O)NN=CC4=C(C=C(C=C4)Cl)Cl 1 6.01 3 1 -5.46060599718894 2823119 C1CCN(C1)S(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F 1 3.12 2 3 -9.0307209688316 2823112 CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)NC=N3 1 3.661 4 2 -4.42121542781327 2823102 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC4=NON=C4C=C3 1 2.614 6 2 0 -11.6856139899525 2823101 CN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)Cl)Cl)C3=CC4=NON=C4C=C3 1 3.943 6 2 0 -10.6659786377195 2823088 C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC3=NON=C3C=C2)C(F)(F)F 1 4.278 4 2 -4.59784210719405 2823086 COC1=CC=C(C=C1)NC(=O)NC2=CC3=NON=C3C=C2 1 2.076 4 3 0 -3.25957592894088 2823085 C1=CC=C(C(=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC=C4N)F 1 2.313 5 2 0 -5.1119819631618 2823079 CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC4=NON=C4C=C3 1 3.561 5 1 -6.87828402427999 2823078 CN1C(=NN=C1SCC2=C(C=CC=C2Cl)Cl)C3=CC4=NON=C4C=C3 1 4.89 5 1 -6.55536635188701 2823077 CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC4=NON=C4C=C3 1 4.226 5 1 -4.24147042891357 2823068 CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3 1 3.34 4 2 -4.59780466255978 2823055 C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC=C4 1 2.854 4 2 -3.91929822664248 2823053 C1=CC=C(C=C1)CN2C(=O)C=C(N(C2=O)C3=CC=C(C=C3)Cl)N 1 3.005 3 2 -0.833557813443448 2823045 CCCS(=O)(=O)C1=CN=C(N=C1N)C2COC3=CC=CC=C3O2 1 1.635 3 4 0 -9.50675472104453 2823038 C1=CC(=CC=C1NC(=O)NNC(=O)C2=CC3=NON=C3C=C2)Cl 1 2.013 5 3 0 -4.00263447566537 2822979 C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=N4)C(F)(F)F 1 4.645 4 0 -2.55692570678462 2822975 CCCCC#CC1=CC=C(O1)C(=O)NNC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 5.24 3 3 -7.50668451660177 2822973 CC(C)C(C(=O)NCCC1=CC(=C(C=C1)OC)OC)NC(=O)OCC2=CC=CC=C2 1 3.859 2 5 0 -20.4092390513935 2822963 CCOC(=O)CC1=CC(=O)N2C(=N1)C=C(N2)C(C)(C)C 1 0.901 3 3 0 -9.89521413275087 2822955 CCCCCCC#CC1=CC(=CN=C1)C(=O)NNC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 5.315 4 2 -2.58340282878281 2822894 CC(=O)NC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3 1 1.974 5 3 0 -7.3665887201567 2822902 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NNC(=O)C2=CC3=C(N2)C=CC(=C3)OC(F)(F)F 1 5.518 3 3 5.96709395490508 2822910 C1=COC(=C1)CN(CCC(=O)NN)S(=O)(=O)C2=CC=C(C=C2)Cl 1 0.986 3 4 0 -10.3719286099602 2822947 CCCCC#CC1=CC(=CN=C1)C(=O)NN=CC2=CC(=CC=C2)OC 1 3.961 3 2 -2.46113515206664 2822941 CCCCC#CC1=CC(=CN=C1)C(=O)NN=CC2=CC=CC=C2 1 3.977 3 1 -2.53697026307926 2822931 CN(C)C1=C(C(=NC=N1)N(C)C)[N+](=O)[O-] 1 0.728 5 2 0 -1.99108827799425 2822920 CC1=NN2C(=CC(=NC2=C1)C3=CC=NC=C3)C(F)(F)F 1 2.552 4 0 -5.4911861756294 2822890 CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3 1 2.38 4 4 0 -10.1549295260671 2822889 C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC(=CC=C4)Br 1 3.602 4 2 -1.24128101788564 2822888 COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3 1 2.837 4 3 0 -3.18886890416352 2822884 CS(=O)C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3 1 2.284 4 3 0 -3.03396998613128 2822876 C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC(=CC=C4)F 1 3.059 4 2 -1.72805605018165 2822874 C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=C(C=C4)F 1 3.059 4 2 -2.65308654398676 2822870 C1=CC=C(C=C1)CN2C(=O)C=C(N(C2=O)C3=CC=C(C=C3)F)N 1 2.546 3 2 -1.94367947856502 2822858 CSC1=CC=C(C=C1)NC(=O)NCC2=CC=CC=C2 1 3.071 2 1 -3.10274538494683 2822848 C1=CC2=C(C=C1OC(F)(F)F)C=C(N2)C(=O)NN 1 3.045 3 2 5.63764084176695 2822846 CNC(=O)CCN(CC1=CC=CO1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 0.987 2 6 0 -22.0075703141743 2822844 COC1=C(C=C(C=C1)S(=O)(=O)N(CCC(=O)N)CC2=CC=CO2)OC 1 0.781 2 6 0 -18.7500913580769 2822835 CCCN(CC1=CC=CO1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.552 1 5 -16.340325699211 2822832 CC(=O)NC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N 1 0.426 4 2 0 -6.00178283974712 2822818 C1=CC=C(C=C1)NC(=O)NNC(=O)CC2=NC(=NO2)C3=NC=CN=C3 1 -0.262 7 3 0 -8.7465820043865 2822811 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC3=NC(=NO3)C4=NC=CN=C4 1 1.003 8 2 0 -16.6880930578021 2822784 CC(=NO)C1=CC(=CC=C1)Br 1 2.385 1 1 3.10731214272051 2822766 CCCN1C(=O)C=C(N(C1=O)C2=CC=C(C=C2)OC(F)(F)F)N 1 3.749 3 3 -1.51027552038994 2822731 CN1C(=NN=C1SCC2=CC=CC=C2)CSCC(=O)NC3=CC=CC=C3 1 3.445 4 1 -17.1343389964064 2822723 COC1=CC=C(C=C1)C=NNC(=O)CSC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.665 3 2 -9.85963465620379 2822722 C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)SCC(=O)NN=CC4=CC=CC=C4 1 4.681 3 1 -9.91164372619225 2822709 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CN=C3C#N 1 0.987 5 2 0 -17.2153808366946 2822693 C1=CC(=CC=C1CC2C(=O)N=C(S2)N)OC(F)(F)F 1 4.259 2 2 -1.15235576111698 2822687 C1CN(CCN1C2=NC=CN=C2C#N)C(=O)NC3=CC=CC=C3 1 0.706 6 1 0 -7.56842154282467 2822683 CN1CCN(CC1)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.627 3 2 0 -2.76304887093201 2822673 COC1=CC=C(C=C1)C=NNC(=O)CSCC(=O)NC2=CC=CC=C2 1 2.12 3 3 -9.78415476319513 2822645 COC(=O)C(CC1=CSC2=C1C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)Cl 1 4.975 1 3 -11.902117437447 2822615 CC1=NN(C2=NC=C3C(=C12)N(N(C3=O)CC4=CC=CC=C4Cl)C)C 1 2.647 5 1 -1.91966296097835 2822578 COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2SC)C3=CC=CC=C3 1 3.905 3 2 -1.52981337184581 2822550 CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)NC2=NC=C(C=C2C(F)(F)F)Cl 1 1.095 5 5 0 -5.41858581870832 2822547 CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.732 5 5 0 -2.90165493765918 2822544 CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)NC2=CC=CC=C2C(F)(F)F 1 1.679 4 5 0 -8.2115861053191 2822541 CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)NC2=CC=CC=C2 1 0.737 4 5 0 -8.69529549350661 2822533 CCOC(=O)C1=C(OCC1=O)NC2=CC=C(C=C2)OC 1 1.868 1 5 0 -6.01163850703948 2822532 CCOC(=O)C1=C(OCC1=O)NC2=CC=C(C=C2)Cl 1 2.549 1 4 -3.84771655594358 2822524 CCOC(=O)C1=C(NC2=C(C1=O)C=CC=C2Cl)SC 1 3.265 1 3 -6.60427235792299 2822489 CN1C2=CC=CC=C2C(=O)C(=C3SCCCS3)S1(=O)=O 1 1.871 1 3 0 -2.66367236260893 2822484 CC1=CC=C(C=C1)S(=O)(=O)CCN2CCC(CC2)N3C=CC=C3 1 2.901 2 2 -10.9484284158121 2822457 C1CN(CCC1N2C=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.531 2 2 -16.2040555884284 2822453 C1CN(CCC1N2C=CC=C2)C(=O)C3=CC=CC=C3Cl 1 2.828 2 1 -11.5231674991497 2822406 CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC(=CC(=C2)Cl)Cl)C 1 4.455 4 1 -5.82729177291787 2822390 C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C#N 1 2.667 2 0 2.44995675509068 2822385 CN(C)CC#CC1=CC(=CN=C1)C(=O)NNC(=O)NC2=CC=C(C=C2)Cl 1 1.957 5 2 0 -2.09331629811295 2822340 CC(=O)CSC1=NN=C(N1C)CN2C(=O)CSC3=C2C=C(C=C3)C(F)(F)F 1 2.338 4 2 -12.2827778400703 2822317 CC1=CC=C(C=C1)S(=NC(=O)C2=NOC(=C2)C)(=O)C 1 2.865 2 3 -11.3833572198485 2822304 C1C(C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])SCC(=O)NNC(=O)C3=CC=CC=C3 1 1.539 3 6 0 -12.2813603031313 2822303 C1C(C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])SCC(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 2.204 3 6 0 -9.66371404503515 2822301 CCOC(=O)C1=CN=CC(=C1)C#CCOC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 4.94 2 5 0 -1.17683396716953 2822289 CCOC(=O)C1=CN=CC(=C1)C#CCO 1 0.869 1 3 0 -0.92004426245848 2822283 C1C(=O)N(C2=C(S1)C=CC(=C2)C(F)(F)F)CC(=O)NC3=CC=CC=C3 1 2.962 2 2 -5.6459321844823 2822266 CC(C)(C)OC(=O)N1CCN(CC1)CCNC(=O)C2=CC=CC=C2 1 1.968 3 3 0 -12.0296739023463 2822217 CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)C(=S)N 1 0.806 3 2 0 -9.95219024390408 2822141 C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)NNC(=O)NC3=CC(=CC=C3)Cl 1 4.766 4 1 1.60338871990615 2822131 CN1C(=O)C(=CN(C1=O)C2=C(SC=C2)C(=O)OC)C#N 1 0.624 3 4 0 -14.7948102918825 2822130 COC1=CC(=NC2=C1C=C(C=C2)C#CCOC(=O)NC3=CC=CC=C3)C(F)(F)F 1 5.308 2 3 1.61618458426773 2822113 CC1=C(C2=CC=CC=C2N1)SCC3=NN=C(N3C)SCC4=CC=C(C=C4)Cl 1 5.488 4 0 -3.04485518278278 2822112 CC1=C(C2=CC=CC=C2N1)SCC3=NN=C(N3C)SCC4=CC=CC=C4 1 4.824 4 0 -5.8500817751616 2822103 CCOC(=O)CN1C=C(C(=O)NC1=O)C#N 1 -0.911 3 4 0 -13.6261646789812 2822093 CC1=C(C2=CC=CC=C2N1)SCC3=NNC(=S)N3C 1 2.934 4 0 -2.7148986451232 2822089 CC1=C(C2=CC=CC=C2N1)SCC(=O)NNC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 4.732 4 3 0 -2.66212618511787 2822085 CCOC(=O)C1=CN(C2=CC(=NN2C1=O)C)CC3=C(C=C(C=C3)Cl)Cl 1 3.744 3 3 -5.85638729028612 2822084 CCOC(=O)C1=CN(C2=CC(=NN2C1=O)C)CC3=CC=CC=C3 1 2.415 3 3 -8.0755003984223 2822082 COC(=O)C1=C2C(=CS1)C(=CC(=N2)C(F)(F)F)OC3=CC=CC=C3 1 4.756 1 3 0.473623653290687 2822081 CCOC(=O)C1=CN(C2=CC(=NN2C1=O)C)CC3=CC(=CC=C3)Cl 1 3.08 3 3 -5.40290220362785 2822060 CNC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 3.615 4 2 1.12960681548724 2822043 CCOC(=O)CN1C(=O)C(=CN(C1=O)C(C)C)C#N 1 2.1e-002 3 4 0 -13.7424962287165 2822042 CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=NC(=CS3)C(=O)NN 1 0.989 5 3 0 -7.55782342224292 2822036 COC1=C(SC=C1C(=O)OC)S(=O)(=O)N2CCCCC2 1 1.489 1 5 0 -12.3043520412425 2822035 COC1=C(SC=C1C(=O)OC)S(=O)(=O)N2CCOCC2 1 0.26 1 6 0 -14.2625347626922 2822023 CS(=O)(=O)NCCSC1=CC(=NC2=CC=CC=C21)C(F)(F)F 1 2.912 2 2 -3.10986625351984 2821943 CC1=C2C(=O)NC(=CN2C=N1)C3=C(C=C(C=C3)Cl)Cl 1 2.003 3 1 0.377875201214543 2821933 C1CN(CCC1C(=O)N)C2=NC=C(C=C2)C(F)(F)F 1 1.177 3 1 0 5.40647766903921 2821923 C1CN(CCC1C(=O)N)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.633 2 3 0 -4.95369340124946 2821903 CSC1=NC2=C(S1)C=C(C=C2)NC(=O)NC(=O)C3=C(C=CC=C3F)F 1 3.973 3 2 -3.78094081471841 2821886 CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)CC3C(=O)NC4=CC=CC=C4S3 1 3.912 4 2 -12.8813350025626 2821855 CSC1=NN2C(=CC(=NC2=C1C(=O)O)C(F)(F)F)C(F)(F)F 1 3.555 3 2 -8.84056337029243 2821832 CN1C(=NNC1=S)CC2=NN(C(=O)C3=CC=CC=C32)C 1 1.492 5 1 0 -11.0443175235063 2821813 C1=CC2=C(C=C1C(=O)NC3=C(C=C(C=C3)Cl)Cl)SC=N2 1 4.027 2 1 -5.73236665695626 2821758 CC(=O)NCC1COC2=CC=CC=C2O1 1 0.836 1 3 0 -7.74733911831569 2821755 C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC=CC=C3 1 2.501 1 3 -8.32795134932129 2821731 CC(C)(C)N(C)C(=O)C1=CC2=C(C=C1)OCC2 1 2.233 1 2 -3.62081035654942 2821717 CC(C)(C)C(=O)CSC1=NC=C2C(=N1)C3=C(C=C(C=C3)C(=O)OC)N(S2(=O)=O)C 1 2.908 3 5 0 -11.590975369886 2821715 CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3COC4=CC=CC=C4O3 1 5.165 3 2 -2.30823851939082 2821712 CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3COC4=CC=CC=C4O3 1 3.437 3 3 -6.04150504978571 2821709 CC(C)(C)NC(=O)C1=CC2=C(C=C1)OCC2 1 2.027 1 2 -11.325393841055 2821679 CC1=C(SC(=N1)C2COC3=CC=CC=C3O2)C(=O)O 1 2.187 1 4 -2.03075733470235 2821672 CC1=CC(=NC2=C(C(=NN12)C(C)(C)C)Cl)C(F)(F)F 1 4.249 3 0 -0.57665221529784 2821664 C1CN(N=C1C2=CC=C(S2)Cl)CCC(=O)C3=CC=C(S3)Cl 1 3.807 2 1 1.65189672508273 2821592 CN(C)C1=C(C2=NSN=C2C=C1)[N+](=O)[O-] 1 2.014 4 2 -0.725134203591418 2821591 CC1=NN(C2=NC=C(C(=C12)OC3=CN=CC=C3)C(=O)N)C 1 0.422 5 2 0 -3.94062914931258 2821590 CN1C=C(N=C1)S(=O)(=O)NC2=CC=C(C=C2)OC 1 0.933 3 3 0 -2.06485471656353 2821584 CN1C=C(N=C1)S(=O)(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 3.069 3 3 1.03951414012684 2821557 C1=CC=C(C=C1)OCCSCC(=O)NCC2=CC=NC=C2 1 1.92 2 2 0 -12.4998006981666 2821517 C1=CC2=NON=C2C(=C1)S(=O)(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 4.007 3 4 0 0.883199977117487 2821514 C1=CC=C(C=C1)OCCSCC2=NNC(=S)O2 1 2.992 2 2 -7.07631498313312 2821506 C1=CC(=C(C=C1Cl)Cl)OCCSCC2=NNC(=S)O2 1 4.321 2 2 -4.91817386133554 2821484 CN1C(=NNC1=S)CSCCOC2=CC=CC=C2 1 2.551 3 1 -7.13028334853497 2821448 CC1=CC=C(C=C1)S(=NS(=O)(=O)C2=CC=CC3=NSN=C32)(=O)C 1 3.668 3 3 -4.1719028879296 2821438 CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)N)C)Br 1 2.242 3 1 -8.03106035889082 2821421 C1=CSC(=C1)S(=O)(=O)C2=NC=CN=C2C#N 1 1.264 3 2 0 -11.0299270192639 2821408 CC(=O)N1CSCC1C(=O)NNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 0.668 3 4 0 -7.03131968656072 2821404 CC(=O)N1CSCC1C(=O)NNS(=O)(=O)C2=CC=CC=C2 1 -0.274 3 4 0 -10.8577933475595 2821398 CS(=O)(=O)CCSC1=C(C=CC=N1)C(=O)NCC2=CC=CS2 1 1.889 2 3 0 -19.769101855636 2821366 C1=CC(=C(N=C1)SCCS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=CS3 1 3.797 3 3 -17.0529298267182 2821359 C1COC2=C1C=C(C=C2)C3=CC=NC(=S)N3 1 2.592 2 1 -2.26524997421685 2821351 CC(C)CNC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C(F)(F)F 1 3.244 4 1 -15.8056371126753 2821348 COC1=CC=C(C=C1)C(=O)N=S2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 3.207 2 3 -4.10328921117179 2821343 CC1=C(C(=C2N1CCS2)C(=O)O)C(=O)O 1 1.019 1 4 0 -3.51691732033062 2821327 CCOC(=O)C1=C2CCC=CC2=C(S1)S(=NS(=O)(=O)C3=CC(=CC=C3)Cl)C 1 4.972 1 4 -4.33143463991761 2821299 C1CSCCN1C2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.419 2 0 2.81382790534532 2821274 CC1=CC=C(C=C1)SCC(=O)C2=CC=C(S2)CC(=O)O 1 4.023 0 3 -3.16513907379731 2821272 C1=CC=C(C=C1)SCC(=O)C2=CC=C(S2)CC(=O)O 1 3.537 0 3 -4.08830429911343 2821259 C1=CC=C(C=C1)C2=CSC(=N2)CSCC(=O)NN 1 1.336 3 1 0 -2.22580384039662 2821257 CC(=NOCC(=O)O)C1=CC=C(C=C1)Cl 1 1.822 1 3 0 -3.48205419499034 2821247 C1=CC(=CC=C1C2=CSC(=N2)CSCC(=O)NN)Cl 1 2 3 1 0 7.07112665054034e-002 2821246 COC(=O)C1N(CCS1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.169 1 4 -13.1092113385712 2821243 CN1C(=CN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC 1 2.631 3 4 0 -9.0120138490981 2821223 CC1(CCC2=C(O1)C=CC(=C2)C3=CC=NC(=S)N3)C 1 3.631 2 1 -3.38294881287557 2821222 CN1C(=CN=C1SCC2=CC=C(C=C2)Cl)C(=O)OC 1 3.401 2 2 -5.09561737115405 2821219 C1=CC=C(C(=C1)NC(=S)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C(F)(F)F)Cl 1 5.445 5 1 -14.4205750778092 2821191 CSC1=C(C(=C(S1)C2=NC(=NC=C2)SC)C3=CC=CC=C3)C#N 1 5.077 3 0 -2.47314512808323 2821185 CSC1=C(C(=C(S1)C2=NC(=NC=C2)SCCS(=O)(=O)C)C3=CC=CC=C3)C#N 1 4.676 3 2 -9.66864987654149 2821174 CSC1=C(C(=C(S1)C2=CC=NC(=S)N2)C3=CC=CC=C3)C#N 1 4.551 3 0 -4.34812197801334 2821153 CC1=C(SC(=C1C2=NOC=C2)SC)C(=O)NC(=O)NCC3=CC=NC=C3 1 2.757 4 3 0 -7.0504670293342 2821152 CC1=C(SC(=C1C2=NOC=C2)SC)C(=O)NC(=O)NCC3=CN=CC=C3 1 2.757 4 3 0 -9.04935197896748 2821137 CC1(CCC2=C(O1)C=CC(=C2)C3=NN(C=C3)S(=O)(=O)C4=CC=C(C=C4)OC)C 1 4.658 2 4 -2.54229934639725 2821135 CC1(CCC2=C(O1)C=CC(=C2)C3=NN(C=C3)S(=O)(=O)C4=CC=CC=C4Cl)C 1 5.339 2 3 -3.25593878336038 2821121 CC1=C(C(=C2N1CCS2)C(=O)OC)C(=O)OC 1 1.47 1 4 0 -6.35371417701794 2821101 CCOC(=O)C1=C2CCC3=CON=C3C2=C(S1)S(=O)(=O)C 1 2.639 1 5 -10.8962327194596 2821100 CC1=NN(C2=NC=C(C(=C12)OC3=CC=C(C=C3)Cl)C(=O)N)C 1 2.237 4 2 1.96679317285609 2821091 CCOC(=O)C1=C2CCC3=CON=C3C2=C(S1)S(=O)C 1 2.543 1 4 -4.60999012800564 2820964 CC(=O)NNC(=O)C1=C2CCCC3(C2=C(S1)SC)SCCS3 1 2.714 2 2 -4.65788000688891 2820940 CSC1=C2C(=C(S1)C(=O)NN)CCCC23SCCS3 1 2.847 2 1 -1.53973039661438 2820939 CC1=C(SC(=C1C2=NOC=C2)SC)C(=O)OC 1 3.192 1 3 -5.06548391931672 2820938 CC(C)(C)C1=NC=C(C(=N1)N)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F 1 2.779 4 2 -0.985541591800897 2820937 CC(C)C1=NC=C(C(=N1)N)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F 1 2.362 4 2 -2.05160093869063 2820925 CC1=CC=C(C=C1)S(=N/C=C/2\C(=O)C3=C(C=CS3)N(S2(=O)=O)C)(=O)C 1 2.314 2 4 -5.9813629060351 2820923 C1=CC=C(C(=C1)SC2=CC=C(S2)C3=CC=CC=N3)Cl 1 5.487 1 0 3.84820516172101 2820917 CSC1=C2C(=CS1)CCC3=CN=C(N=C32)SCC(=O)NCC=C 1 3.666 3 1 -13.0013831828104 2820916 CC(C)(C)C(=O)CSC1=NC=C2CCC3=CSC(=C3C2=N1)SC 1 5.118 2 1 -7.17600290002015 2820910 CCOC(=O)C1=CN=C2C(=C1OC3=CC=CC=C3F)C(=NN2C)C 1 2.98 3 3 -2.18508913568669 2820909 CCOC(=O)C1=CN=C2C(=C1OC3=CC=C(C=C3)Cl)C(=NN2C)C 1 3.439 3 3 -0.12704866487273 2820903 C1=CC=NC(=C1)C2=CC=C(S2)SC3=CC(=CC=C3)Cl 1 5.487 1 0 7.70329111624322 2820890 CC(C)(C)S(=O)(=O)C1=CN=C(N=C1N)C2=NC=CN=C2 1 4.8e-002 5 2 0 -2.57663633549911 2820879 C1=CC(=CC=C1C2=NC(=NO2)C3=NC=CN=C3)Cl 1 1.936 4 1 0 4.80846174623527 2820865 C1COCCN1CCS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F 1 3.302 1 4 -5.76577127007289 2820864 CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)NC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 4.009 2 4 -2.56189316158769 2820855 C1=CC(=CC=C1C2=NN(C(=C2)N)C3=CC(=C(C=C3)Cl)Cl)OC(F)(F)F 1 6.83 3 1 9.38451190373672 2820834 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)C3=C4CCC=CC4=C(S3)SC 1 5.397 4 1 -11.6216879836888 2820833 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=C4CCC=CC4=C(S3)SC 1 4.733 4 1 -13.600340812649 2820817 CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)NC(=S)NC3=CC=C(C=C3)OC(F)(F)F 1 6.558 2 4 -9.72582985515103 2820740 CN1C(=NNC1=S)C2=C3CCC=CC3=C(S2)SC 1 3.79 3 0 -5.92365692897105 2820628 CON=C1CCCC2=C(SC(=C21)SC)C(=O)NN 1 1.587 3 2 0 -5.29366461897372 2820576 CC1=CSC2=C1C(=C(S2)C3=NC(=NC=C3)SCC(=O)NCC4=CC=CC=C4)C 1 5.369 3 1 -14.0610538746078 2820572 CC1=C(SC2=C1C(=O)/C(=C\NC3=CC=NC=C3)/S(=O)(=O)N2C)C 1 0.878 3 3 0 -3.33073650145725 2820570 CC1=C(SC2=C1C(=O)/C(=C\NC3=CC=CC=N3)/S(=O)(=O)N2C)C 1 1.417 3 3 0 -0.454584220229017 2820564 CC1=C(SC2=C1C(=O)/C(=C\NC3=CC=C(C=C3)OC)/S(=O)(=O)N2C)C 1 2.012 2 4 -3.32641236426113 2820521 CC1=C(C(=NN1CC2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C)[N+](=O)[O-] 1 2.811 7 3 0 -11.9256138081307 2820520 CC1=C(C(=NN1CC2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)Cl)C)[N+](=O)[O-] 1 2.533 7 3 0 -14.4694277071686 2820495 CC1=C(C(=NN1CCS(=O)(=O)C2=CC=C(C=C2)Cl)C)Br 1 3.495 2 2 -6.99687473171735 2820486 CN(CCS(=O)(=O)C1=CC=C(C=C1)Cl)CC2=CN=CC=C2 1 2.591 2 2 -3.17238472461488 2820475 CN1C2=C(C(=O)/C(=C\NC3=CC=CC(=C3)C(F)(F)F)/S1(=O)=O)SC=C2 1 2.506 2 3 -0.157366714808431 2820470 CN1C2=CC=CC=C2C3=C(SC(=C3S1(=O)=O)SC)C(=O)N(C)C 1 2.245 2 3 -4.03965033391238 2820469 CN1C2=CC=CC=C2C3=C(SC(=C3S1(=O)=O)SC)C(=O)NCC4CC4 1 2.86 2 3 -6.80748969668481 2820417 CC(C)S(=O)(=O)C1=C(SC(=C1)C(=O)N(C)C)SC 1 2.115 1 3 -9.26863293588445 2820416 CC(C)S(=O)(=O)C1=C(SC(=C1)C(=O)NCC2CC2)SC 1 2.73 1 3 -13.812304685641 2820402 CC1=CC(=NC2=C1C(=NN2C)C)NNC(=O)NC3=CC(=CC=C3)Cl 1 2.778 6 1 0 0.679184808759366 2820399 CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NC(=NC=C3)SCC(=O)C(C)(C)C)C 1 5.788 2 2 -17.5700230198324 2820397 CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NC=C(C=C2)C(F)(F)F 1 4.363 1 2 -6.45411378344934 2820396 C1=CC=C(C=C1)S(=O)(=O)CCSC2=NC=C(C=C2)C(F)(F)F 1 3.877 1 2 -7.3501234226855 2820393 CC1=CC(=NC2=C1C(=NN2C)C)NNC(=O)C3=CC(=CC=C3)C(F)(F)F 1 3.148 5 1 1.22659803702969 2820385 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3CCSC3=O 1 2.736 2 3 -19.4596776654798 2820380 CN1C(=CC(=N1)C(F)(F)F)C2=CC=C(S2)S(=O)(=O)N 1 2.443 3 2 -0.739716329809094 2820374 CC1=C(SC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)NNC(=O)C 1 1.95 2 5 0 -8.37048510113623 2820331 CN1C(=CC(=N1)C2=CC=C(S2)S(=O)(=O)N)C(F)(F)F 1 2.443 3 2 -3.09005345410083 2820311 CC(=O)N(CCS(=O)(=O)C1=CC=C(C=C1)Cl)CC2=CC=CS2 1 2.742 1 3 -8.91172698752723 2820303 CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)Br)C 1 2.689 0 3 -11.6042411390053 2820275 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=C(C(=NO3)C)[N+](=O)[O-] 1 3.245 4 5 0 -13.2235699080631 2820268 C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NNC(=O)NC3=CC=C(C=C3)Cl 1 2.027 4 3 0 -11.2241397886067 2820267 C1=CSC(=C1)CNCCS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.946 1 2 -6.1550405682096 2820262 CC(C)(C)S(=O)(=O)/C(=C/NC1=C(SC=C1)C(=O)OC)/C#N 1 1.488 2 4 0 -9.80765495323473 2820234 CCOC(=O)C1=C2CC(CC(=NO)C2=C(S1)S(=O)(=O)C)(C)C 1 2.684 1 5 -12.8732060666258 2820213 C1C(CC(=O)C(=CNC2=CC=C(C=C2)Cl)C1=O)C3=CC=CC=C3 1 3.514 1 2 -6.5291530618928 2820199 CS(=O)(=O)C1=C2C(=C(S1)C#N)CC(CC2=O)C3=CC=CC=C3 1 3.118 1 3 -9.96931336464763 2820176 CC(C)OC(=O)C1=C2CC(CC(=O)C2=C(S1)SC)(C)C 1 4.01 0 3 -14.27330041893 2820158 CSC1=C2C(=C(S1)C#N)CCCC2=NO 1 2.917 2 1 -2.75345486813073 2820129 CC(=O)NNC(=O)C1=C2CCC=CC2=C(S1)SC 1 1.895 2 2 0 -6.79865980202208 2820128 CSC1=C2C=CCCC2=C(S1)C(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 4.224 2 2 -4.18061700533186 2820122 CCOC(=O)C(=NNC1=C(SC=C1S(=O)(=O)CC2=CC=CO2)C(=O)OC)C#N 1 2.23 3 7 0 -7.69028156274039 2820105 CSC1=C2C=CCCC2=C(S1)C(=O)NC3=C(C=C(C=C3)F)F 1 4.714 1 1 -4.49968438668416 2820091 CSC1=C2C(CCCC2=C(S1)C(=O)NN)O 1 1.371 2 2 0 -3.68046202225755 2820034 CC(C)S(=O)(=O)C1=CSC(=C1)NC(=O)NC2=CC=C(C=C2)Cl 1 3.226 2 3 -7.69804586997004 2820009 CC(C)S(=O)(=O)C1=CSC(=C1Cl)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.12 3 5 0 -11.1128369421305 2820006 CC(C)S(=O)(=O)C1=CSC(=C1Cl)NC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 4.554 2 3 -9.09550450959211 2820002 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)CS(=O)(=O)CC3=CC=CO3 1 2.618 2 5 0 -0.3715262934373 2820001 C1=COC(=C1)CS(=O)(=O)CC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.388 1 3 3.60472832476677 2819985 CCOC(=O)CNC(=O)C(CC(=O)N)NC(=O)OC(C)(C)C 1 -0.699 3 6 0 -24.3860150712983 2819967 CC(=O)ON=C(C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C(F)(F)F)N 1 1.737 5 2 0 -8.10646923301056 2819964 C1=COC(=C1)CS(=O)(=O)CC2=NOC(=N2)C3=CC=C(C=C3)Cl 1 2.375 2 4 0.55677927290769 2819922 CN1C(=CC(=N1)C(F)(F)F)C2=CC=C(S2)C(=O)N(C)C 1 3.319 3 1 -2.87638852351644 2819905 CCCS(=O)(=O)C1=CSC=C1NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C 1 4.091 2 4 -23.3277405038694 2819898 CC1=CC=C(C=C1)S(=NC(=O)NC(=O)C2=C(C=CC=C2Cl)F)(=O)C 1 4.486 2 3 -6.35755787496126 2819896 CC1=CC=C(C=C1)S(=NC(=O)NC(=O)C2=C(C=CC=C2Cl)Cl)(=O)C 1 4.945 2 3 -5.68479469477798 2819895 COC(=O)C1=C(C(=C(S1)N2CCCCC2)C#N)N 1 1.975 3 2 0 -7.6926625432777 2819888 CSC1=C(C=CC=N1)C(=O)N=S(=O)(C)C2=CC=C(C=C2)Cl 1 3.945 2 2 -9.81040293000478 2819887 CSC1=C(C=CC=N1)C(=O)N=S(=O)(C)C2=CC=CC=C2 1 3.281 2 2 -12.6258054863525 2819882 CN1C(=NN=C1SC)C2=CC=C(S2)Br 1 2.929 3 0 -1.14934157430613 2819872 CNC(=S)NNC(=O)C1=CC=CS1 1 1.373 3 1 0 -10.8268083431067 2819871 CN(C)C1=C(C(=C(S1)C(=O)OC)C2=CC=CC=C2)C#N 1 3.322 2 2 -5.26312990076745 2819853 CS(=NS(=O)(=O)C1=CC=C(C=C1)Cl)(=O)C2=CC=CC=C2 1 3.718 1 3 -2.97177775833615 2819852 CN1C(=C(C=N1)C(=O)N=S(=O)(C)C2=CC=CC=C2)[N+](=O)[O-] 1 2.019 4 4 0 -9.19630166964266 2819842 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N=S(=O)(C)C3=CC=CC=C3 1 5.226 2 3 -12.7761730714582 2819838 CCOC(=O)C(=CNC1=CSC=C1S(=O)(=O)C(C)C)C(=O)OCC 1 1.921 1 6 0 -8.75514963958273 2819808 CC(C)SC1=C(C(=C(S1)C(=O)O)C2=CC=C(C=C2)Cl)C#N 1 4.867 1 2 -3.93325589413388 2819779 CC(C)S(=O)(=O)C1=C(SC(=C1NN=C(C#N)S(=O)(=O)C2=CC=CC=N2)C(=O)OC)SC 1 3.14 4 6 0 -11.772436255192 2819773 CC(C)S(=O)(=O)C1=C(SC(=C1NN=C(C#N)C(=O)C2=CC=CC=C2)C(=O)OC)SC 1 4.057 3 5 0 -10.8065045733375 2819767 CC1(CC2=C(SC(=C2C(=O)C1)SC)C(=O)O)C 1 3.058 0 3 -11.0780532034117 2819758 CC(C)S(=O)(=O)C1=CSC(=C1NN=C(C#N)C(=O)C2=CC=C(C=C2)Cl)C(=O)OC 1 4.055 3 5 0 -9.13828815342919 2819754 CC(C)S(=O)(=O)C1=CN=C(N=C1N)N2CCOCC2 1 -0.154 4 3 0 -5.09759913355225 2819742 CC1(OC(=O)C(=CNC2=NC=CC=N2)C(=O)O1)C 1 -0.503 3 4 0 -6.69198470176301 2819741 CC1=CC(=NC(=N1)NC=C2C(=O)OC(OC2=O)(C)C)C 1 6.3e-002 3 4 0 -6.94499131720427 2819737 CC1(OC(=O)C(=CNC2=CC=CC=N2)C(=O)O1)C 1 0.616 2 4 0 -2.99945014520508 2819726 COC(=O)C1=C(C(=CS1)C#N)NN=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.376 4 4 0 -7.32471683111089 2819721 CC1=NC=CC(=N1)C2=CC(=CC=C2)NN=C(C#N)C(=O)C3=CC(=CC=C3)OC 1 3.437 5 2 0 2.32430636662679 2819720 CC1=NC=CC(=N1)C2=CC(=CC=C2)NN=C(C#N)C(=O)C3=CC=CC=C3 1 3.454 5 1 1.37317672395319 2819709 CCS(=O)C1=C(C(=CS1)C2=CC=C(C=C2)Cl)C#N 1 3.457 1 1 4.29432162351643 2819705 C1=CC=C(C(=C1)NC(=O)C2=CC=C(S2)C3=CC=CC=N3)Cl 1 4.32 2 1 -2.25679300567525 2819703 C1=CC=NC(=C1)C2=CC=C(S2)C(=O)NC3=CC=C(C=C3)Cl 1 4.32 2 1 -0.357355384279612 2819679 CC(C)S(=O)(=O)C1=CSC(=C1Cl)C(=O)NNC(=O)NC2=CC=CC=C2 1 2.649 3 4 0 -10.5316629055298 2819678 CC(C)S(=O)(=O)C1=CSC(=C1Cl)NC(=O)NC2=CC=C(C=C2)Cl 1 3.89 2 3 -8.05094751861703 2819664 C1=CSC(=C1)SCC(=O)NC2=CC=C(C=C2)Cl 1 3.459 1 1 -4.43312348580388 2819658 CC(C)S(=O)(=O)C1=CSC(=C1Cl)C(=O)NN 1 1.21 2 3 0 -7.65120663648623 2819639 CC1=NC2=CC(=NN2C(=C1)C(F)(F)F)C3=CC=CS3 1 3.656 3 0 -7.27044639197093 2819630 C1=CC(=CC(=C1)CS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)N 1 2.606 1 3 -9.28227452549855 2819623 CCCCNC(=O)ON=C(CS(=O)(=O)C(C)(C)C)N 1 0.779 3 4 0 -6.72280129855486 2819605 CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)NC 1 1.07 4 1 0 -0.947372655481506 2819603 CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)Cl 1 3.311 4 1 2.36721514337311 2819595 CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 3.402 3 1 -1.43086111988317 2819591 CC(C)S(=O)(=O)C1=CSC(=C1N2C=CC=C2)C(=O)NN 1 1.422 3 3 0 -9.62115671186842 2819590 C1=CC=C(C=C1)S(=O)(=O)/C(=C/NC2=NC=C(C=C2)Cl)/C#N 1 1.905 3 2 0 -4.56445652593692 2819589 C1=CC=NC(=C1)S(=O)(=O)/C(=C/NC2=NC=C(C=C2)Cl)/C#N 1 1.293 4 2 0 -2.78501214889515 2819584 C1CC1C(=O)C(=NNC2=CC(=CC=C2)F)C#N 1 2.619 3 1 -0.520478317722773 2819516 CC1=NN2C(=C1)N=CC(=C2N)S(=O)(=O)C(C)(C)C 1 0.635 4 2 0 -6.50030653435137 2819505 CC(C)(C)S(=O)(=O)C1=CSC(=C1N2C=CC=C2)C(=O)OC 1 2.972 1 4 -6.83178301217602 2819503 COC(=O)C1=C(CSC1)NC2=CC(=CC(=C2)Cl)Cl 1 3.315 1 2 -2.97710545676413 2819500 CCCS(=O)(=O)C1=CSC(=C1N)C(=O)OC 1 1.29 1 4 0 -13.8729056153514 2819486 CC(C)(C)S(=O)(=O)/C(=C/NC1=CC=CC=N1)/C#N 1 1.067 3 2 0 -4.05607886350578 2819475 CC(C)(C)S(=O)(=O)C1=CSC(=C1N)C(=O)OC 1 1.349 1 4 0 -5.70518501513428 2819471 CC1=CC=CC(=C1)C2=NNC(=C2C#N)S(=O)(=O)C 1 2.236 3 2 -0.190721014612271 2819469 CNC(=O)OCCSCCS(=O)(=O)C1=CC=C(C=C1)Cl 1 2.469 1 4 -13.8549835944984 2819468 CCCCNC(=O)OCCSCCS(=O)(=O)C1=CC=C(C=C1)Cl 1 3.798 1 4 -17.945018405911 2819453 C1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2NC(=O)C3=CC=CC=C3Cl)Br 1 4.611 1 3 -10.9012899007702 2819452 C1=CC=C(C=C1)S(=O)(=O)C2=CSC=C2NC(=O)C3=CC=CC=C3Cl 1 4.043 1 3 -12.533046749753 2819449 CC1=NC(=C(C(=N1)SC)C#N)C2CC2 1 2.007 3 0 -9.40361365037348 2819429 C1=CC=C(C=C1)NC(=O)CSCCS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.27 1 3 -12.6917147214597 2819422 CSC1=C(C(=C(S1)C(=O)N2CCOCC2)C3=CC=CS3)C#N 1 2.902 2 2 -11.6671654564085 2819421 CSC1=C(C(=C(S1)C(=O)NCC2CC2)C3=CC=CS3)C#N 1 3.828 2 1 -11.4576518867387 2819413 CN(C)C(=O)CS(=O)(=O)C1=CC=C(C=C1)Cl 1 1.286 1 3 0 -6.75341061700592 2819400 C1=CC=C(C(=C1)C(=O)NC2=C(SC=C2S(=O)(=O)C3=CC=C(C=C3)Cl)Br)Cl 1 5.276 1 3 -8.83099757545334 2819398 C1=CC=C(C(=C1)C(=O)NC2=CSC=C2S(=O)(=O)C3=CC=C(C=C3)Cl)Cl 1 4.708 1 3 -10.4627544244361 2819394 CCCSC1=C(C(=C(S1)C(=O)OC)C2=CC=CS2)C#N 1 4.528 1 2 -11.6799972374345 2819384 C1=CC(=CC=C1S(=O)(=O)CC(=O)NN)Cl 1 0.382 2 3 0 -6.23067403974534 2819376 CSC1=NC2=CC(=NN2C(=N1)N)C3=CC=C(C=C3)Cl 1 3.446 5 0 2.9057430382295 2819373 C1=CC=NC(=C1)S(=O)(=O)CC2=CC=CC(=C2)C(=NO)N 1 1.397 3 3 0 -5.13272343703519 2819359 CC1=CC=C(C=C1)C2=NNC(=C2C#N)S(=O)(=O)C 1 2.236 3 2 -3.14333605756941 2819353 C1CC1C(=O)/C(=C/NC2=CC(=C(C=C2)F)Cl)/C#N 1 2.836 2 1 -7.03530731849929 2819346 CS(=O)(=O)C1=C(C(=NN1)C2=CC=CC=C2Cl)C#N 1 2.414 3 2 -3.05451586551602 2819338 CS(=O)(=O)C1=C(C(=NN1)C2=CC(=CC=C2)Cl)C#N 1 2.414 3 2 0.188024232341238 2819330 CN1C2=CC=CC=C2C(=O)/C(=C\NC3=NC=CC=N3)/S1(=O)=O 1 -0.119 4 3 0 -2.29910017884092 2819314 CN1C2=CC=CC=C2C(=O)/C(=C\NC3=C(C=C(C=C3)F)F)/S1(=O)=O 1 2.022 2 3 1.66840999853606e-002 2819311 CN1C2=CC=CC=C2C(=O)/C(=C\NC3=CC=C(C=C3)F)/S1(=O)=O 1 1.816 2 3 0 -0.331590222199025 2819305 CC(=O)NNC(=S)NC1=CC(=CC=C1)F 1 1.815 3 1 0 -3.70566103743786 2819294 C1=CC=C2C(=C1)N=C(O2)SCC#N 1 2.169 2 1 -4.34028565293096 2819291 C1=CC=C(C(=C1)C2=NC(=NO2)CS(=O)(=O)C3=CC=CC=N3)Cl 1 2.575 3 3 -3.0225078871445 2819244 CC1=CC(=O)N=C2C1=C(NN2C)C3=CC=CC=C3 1 1.424 3 1 0 -4.72892443477238 2819262 CN1C(=C(C(=N1)C2=CC=CC=C2)C(=O)N)SC 1 2.095 3 1 1.81079860615547 2819259 CN1C(=C(C(=N1)C2=CC=C(C=C2)Cl)C(=O)N)SC 1 2.759 3 1 4.10731371305748 2819256 C1=CC=NC(=C1)S(=O)(=O)/C(=C/NC2=CC(=C(C=C2)F)Cl)/C#N 1 2.583 3 2 -3.63817227100752 2819255 C1=CC=NC(=C1)S(=O)(=O)/C(=C/NC2=CC=C(C=C2)Cl)/C#N 1 2.377 3 2 -3.33197816274231 2819245 CN1C2=NC(=O)C=C(C2=C(N1)C3=CC=CC=C3)COC 1 0.741 3 2 0 -6.15421040895386 2819215 C1=CC=NC(=C1)N/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.377 3 2 -3.19026034722631 2819205 CC1=CC(=NC(=N1)C)N/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2Cl 1 1.515 4 2 0 -10.6742209202071 2819202 CC1=NC(=NC(=N1)SC)N/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2Cl 1 2.171 5 2 0 -9.22250881164625 2819201 CC1=CC(=NC(=N1)C)N/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.515 4 2 0 -8.06634118162707 2819195 CSC1=NNC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)N 1 2.499 3 2 -6.44878477991192 2819184 CS/C(=C(/C#N)\S(=O)(=O)C1=CC=C(C=C1)Cl)/N2CCOCC2 1 2.581 2 3 -6.36875532609928 2819177 CSC1=NC2=CC(=NN2C(=N1)N)C3=CC=CC=C3 1 2.781 5 0 0.60922793132748 2819137 COC1=CC=CC(=C1)C2=C(C(=NC(=N2)N)SC)C#N 1 2.716 4 1 -0.240954001705234 2819136 CC1=NN(C2=C1C(=CC(=N2)OC(=O)N(C)C)COC)C 1 1.323 4 3 0 -4.74289692948362 2819135 CC1=NN2C(=C1)N=C(C(=C2C3=CC(=CC=C3)OC)C#N)SC 1 3.275 4 1 -6.18113583948673 2819134 CC1=NN2C(=C1)N=C(C(=C2C3=CC=CC=C3Cl)C#N)SC 1 3.956 4 0 -6.78011064247742 2819128 C1CSC(=C(C#N)C(=O)C2=CC=CC=C2)S1 1 3.08 1 1 -5.70154516930312 2819127 CSC1=NC(=NC(=C1C#N)C2=CC=CS2)N 1 2.685 4 0 -6.12169056986855 2819124 CC1=NN2C(=C1)N=C(C(=C2C3=CC=C(C=C3)C(C)(C)C)C#N)SC 1 4.692 4 0 -4.41808270193853 2819112 CC1=CC(=NC2=C1C(=NN2C)C)OC(=O)N(C)C 1 2.005 4 2 -3.13518654908117 2819109 C1CSC(=C(C#N)C(=O)C2=CC=CC=C2Cl)SC1 1 3.807 1 1 -6.48258917013337 2819103 CC(C)(C)C1=NN2C(=C1)N=C(N=C2N)SC 1 2.663 5 0 -2.41658353547859 2819100 CC1=NN2C(=C1)N=C(C(=C2C3=CC=CC=C3)C#N)SC 1 3.292 4 0 -7.47073326736504 2819095 COC1=CC=CC(=C1)C(=O)C(=C(SC)SC)C#N 1 3.245 1 2 -8.74108867912757 2819089 CS(=O)(=O)C1=C(C(=NN1)C2=CC=CC=C2)C#N 1 1.75 3 2 0 -3.61785247388461 2819086 CNC(=O)NC1=CC=C(C=C1)C2SCCS2 1 2.127 2 1 -6.60659130780232 2819085 CCCCNC(=O)NC1=CC=C(C=C1)C2SCCS2 1 3.455 2 1 -11.4271525928175 2819082 CSC(=C(C#N)C(=O)C1=CC=CC=C1)SC 1 3.261 1 1 -10.1584291336774 2819077 CCN/C=C(\C#N)/S(=O)(=O)C1=CC=C(C=C1)Br 1 1.567 2 2 0 -8.07941481365924 2819074 CC(C)(C)N/C=C(\C#N)/S(=O)(=O)C1=CC=C(C=C1)Br 1 2.149 2 2 -7.86193715835343 2819067 CC(C)(C)C1=CC2=NC(=CC(=O)N2N1)COC 1 0.465 3 2 0 -5.34885476421165 2819065 COCC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=CS3 1 0.537 3 2 0 -6.45001051435018 2819064 COCC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=CO3 1 -2.1e-002 3 3 0 -3.01628842285211 2819056 C1CSC(S1)C2=CC=C(C=C2)NC(=O)CSC3=C(C(=CC(=C3F)F)F)F 1 5.011 1 1 -8.58002412946015 2819053 C1CSC(S1)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F 1 4.394 1 1 -6.69992405436949 2819052 C1CSC(S1)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl 1 4.853 1 1 -5.58980238924792 2819047 C1CSC(S1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.795 1 1 -7.54325902351771 2819040 C1=CC(=CC=C1S(=O)(=O)C2=CN=C(N=C2N)N)Cl 1 1.385 4 2 0 -4.51928093394323 2819036 CC1=NC=C(C(=N1)N)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.566 3 2 0 -4.84009944883001 2819026 CC(C)(C)C1=NN2C(=C1)N=CC(=C2N)C#N 1 1.603 5 0 0 -5.15644678069674 2819025 C1=CC=C(C=C1)C2=NN3C(=C2)N=CC(=C3N)C#N 1 1.721 5 0 0 -2.13063531389068 2819024 COC1=C(SC=C1C(=O)NNC(=O)C2=CC=CC=C2)Br 1 2.085 2 3 -5.87387489839669 2819020 COC1=C(SC=C1C(=O)NNC(=O)C2=CC=CC=C2Cl)Br 1 2.749 2 3 -5.32151985263872 2819005 C1=CC(=CC(=C1)CS(=O)(=O)C2=CC=C(C=C2)Cl)C#N 1 3.482 1 2 -7.33168228580593 2818996 COC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=C(C=C3)Cl)N)C#N 1 5.053 4 1 1.16920240686242 2818993 C1=CC=C(C(=C1)C2=C(C(=NC(=C2C#N)SC3=CC=C(C=C3)Cl)N)C#N)Cl 1 5.734 4 0 0.729715874719667 2818961 CCOC(=O)C1=CN=C2C(=C1N3CCOCC3)C(=NN2C)C4CC4 1 1.822 4 3 0 -9.30303121370494 2818959 COC1=CC(=C(C=C1)OC)NC(=O)C2=CSC(=C2OC)Cl 1 2.686 1 4 -4.72989455113083 2818953 CN(C)/C=C(\C#N)/S(=O)(=O)C1=CC=C(C=C1)Cl 1 1.67 2 2 0 -3.80016026654836 2818951 C1CCN(CC1)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.587 2 2 -5.21420822117276 2818949 C1COCCN1/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.358 2 3 0 -6.89430656666424 2818948 CCOC(=O)C1=C(N2C(=CC(=N2)C)N=N1)C 1 0.833 4 2 0 -9.58973820587345 2818919 C1=CSC(=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C4=CC=CS4 1 5.274 3 0 -7.61891987079027 2818912 C1CC1C(=O)C(=NNC2=CC(=C(C=C2)Cl)Cl)C#N 1 3.742 3 1 -0.691395290139801 2818896 CC(C)(C)C1=CC=C(C=C1)C2=CC(=NN2)N 1 3.276 3 0 7.5733533006356 2818876 CC1=CC(=O)N=C2C1=C(NN2C(C)(C)C)C 1 1.12 3 1 0 -8.46559408988376 2818874 COC1=CC=CC(=C1)C2=CC3=NC(=CC(=O)N3N2)C4=CC=CC=C4 1 2.282 3 2 1.07956734493219 2818869 CC(C)(C)C(=O)NC1=C(C(=NN1C2=CC=CC=C2)C3CC3)Br 1 4.636 3 1 -10.1035901112483 2818845 C1CCN(CC1)C(CS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.688 1 2 -10.4490405760699 2818843 CCCCC1=C(N=C2C=C(NN2C1=O)C3=CC=CO3)C 1 2.273 3 2 -4.5637305406338 2818821 CCN(CCS(=O)(=O)C1=CC=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)Cl 1 4.004 2 3 -9.94856308978376 2818820 CCN(CCS(=O)(=O)C1=CC=C(C=C1)Cl)C(=O)NC2=CC=CC=C2 1 3.34 2 3 -9.27889828593956 2818819 CC1=CC(=NC2=CC(=NN12)C3=CC=CC=C3OC)C 1 2.598 3 1 -8.0241627821083 2818816 CC1=NN(C(=C1C#N)NC(=O)C2=CC=CC=C2)C(C)(C)C 1 2.481 4 1 -9.6844790404425 2818813 CC1=CC2=NC(=CC(=O)N2N1)C3=CC=CC=C3 1 1.063 3 1 0 -3.31567771681121 2818812 CC1=NN(C(=C1Br)NC(=O)C2=CC=C(C=C2)Cl)C(C)(C)C 1 4.015 3 1 -3.14940402930909 2818811 CC1=NN(C(=C1Br)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C(C)(C)C 1 4.68 3 1 -0.870939140769818 2818809 CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2)C(C)(C)C 1 2.602 3 1 -9.61731162787533 2818808 CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2F)C(C)(C)C 1 2.808 3 1 -10.2595094523623 2818806 CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2Cl)C(C)(C)C 1 3.267 3 1 -9.06673815003682 2818796 C1COCCN1CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.846 1 3 0 -6.6351752270323 2818795 C1CSCCN1CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.591 1 2 -4.36560456408142 2818792 CC1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C(C)(C)C 1 3.175 4 1 -6.25808558363692 2818791 CC1=NN(C(=C1)NC(=O)NC2=CC=CC=C2)C(C)(C)C 1 2.511 4 1 -8.23673841259709 2818789 CC1CCCCN1CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.547 3 1 -11.3220444039067 2818784 CC1=NN(C(=C1Cl)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C 1 2.23 4 3 0 -6.58841797456352 2818783 CC1=NN(C(=C1Cl)NC(=O)C2=CC=C(C=C2)Cl)C 1 3 3 1 -3.48815049813795 2818782 CC1=NN(C(=C1Cl)NC(=O)C2=CC=CC=C2Cl)C 1 3 3 1 -5.55522327839561 2818780 CC1=NN(C(=C1Br)NC(=O)C2=CC=CC=C2Cl)C 1 3.084 3 1 -5.14768283442453 2818776 CC1=NN(C(=C1Br)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C 1 3.748 3 1 -0.802145165627607 2818775 CC1=NN(C(=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C 1 2.522 4 1 -3.68661006558022 2818774 CC1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C 1 2.244 4 1 -6.0905860603965 2818773 CC1=NN(C(=C1)NC(=O)NC)C 1 3.e-003 4 1 0 -9.71565462309933 2818768 CC1CCCN(C1)CCS(=O)(=O)C2=CC=CC=C2 1 2.731 1 2 -7.72678491441615 2818767 C1COCCN1CCS(=O)(=O)C2=CC=CC=C2 1 1.182 1 3 0 -9.35318355685527 2818766 C1CSCCN1CCS(=O)(=O)C2=CC=CC=C2 1 1.927 1 2 0 -7.0836128939044 2818765 CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C 1 1.566 4 3 0 -10.7485623244828 2818764 CC1=NN(C(=C1)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C)C 1 3.547 4 2 -17.4091798902836 2818761 CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2)C 1 1.671 3 1 0 -9.44981210463492 2818738 CC(C)(C)C=NNC(=O)C1CC1 1 1.551 2 1 0 -6.18648610554146 2818729 CSC1=CC=CC(=C1)NC(=O)C(=O)NCC2=CC=CC=C2 1 2.429 2 2 -7.96477234324719 2818703 C1=CC(=C(C=C1NC(=O)C(=O)NN)Cl)Cl 1 0.935 3 2 0 -3.77420194747795 2818692 CN(CCC#N)C(=S)NC1=CC=C(C=C1)F 1 3.232 3 0 -8.04122430895394 2818691 C1=CC=C(C=C1)CN(CCC#N)C(=S)NC2=CC=C(C=C2)F 1 4.816 3 0 -10.8804848454767 2818674 COC1=CC(=CC(=C1OC)OC)C(=O)ON=C2C3CC4CC(C3)CC2C4 1 3.505 1 5 -1.29381776411123 2818668 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C4=CC=CC=C4 1 5.011 2 1 -6.20395066060394 2818661 CN(CCC#N)C(=S)NC1=CC(=C(C=C1OC)Cl)OC 1 3.658 3 2 -13.9533635934829 2818653 COC1=C(C=C2C(=C1)CCN=C2C3=CC=CC=C3N)OC 1 2.789 2 2 -4.88206889662025 2818650 CC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-] 1 3.582 1 3 -2.32865381530778 2818646 CC(=O)C1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)[N+](=O)[O-] 1 3.284 2 3 -6.54295509456138 2818636 CCOC(=O)C1=CC(=C(C=C1)N2CCCCC2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 4.543 2 4 -6.15235941162346 2818634 CCOC(=O)C1=CC(=C(C=C1)N2CCCCC2)NS(=O)(=O)C3=CC=C(C=C3)C 1 4.087 2 4 -8.9429855291644 2818628 CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.577 2 5 0 -9.82019462641192 2818625 CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 3.215 3 5 0 -16.0520291744112 2818615 COC1=CC(=C(C=C1NC(=S)N2CCOCC2)OC)Cl 1 3.367 2 3 -16.6976620460098 2818593 C1=CC=C(C(=C1)CSC2=CC=CC=C2N)Cl 1 3.873 1 0 -6.25417291688171 2818587 C1=CC=C(C(=C1)N)SCC2=C(C=CC=C2Cl)Cl 1 4.537 1 0 -5.02707170420496 2818577 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 2.332 1 3 -11.0531026128866 2818565 CC1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])CO 1 1.707 3 3 0 -1.89550653168365 2818561 C1=CC(=C(C(=C1)Cl)CSC2=NC=NC(=N2)N)F 1 3.236 4 0 -6.29937068261959 2818560 C1=CC(=CC(=C1)CSC2=NC=NC(=N2)N)C#N 1 2.245 5 0 -7.46056340572878 2818540 C1=CC=C(C=C1)C2=NC(=NC(=O)N2)SCC3=C(C=CC=C3Cl)F 1 5.188 3 1 -8.75663753483783 2818535 C1=CC=C(C=C1)C2=NC(=NC(=O)N2)SCC3=CC=C(C=C3)Cl 1 4.982 3 1 -4.87969687910377 2818534 C1=CC(=C(C(=C1)Cl)CSC2=NC(=O)NC(=N2)C3=CC=C(C=C3)Cl)F 1 5.852 3 1 -7.17885720292951 2818532 C1=CC(=CC=C1C2=NC(=S)NC(=O)N2)Cl 1 2.832 3 1 -3.70776534140557 2818527 C1=CC=C(C(=C1)CSC2=NC(=O)NC(=N2)C3=CC=C(C=C3)Cl)Cl 1 5.647 3 1 -6.8692891388828 2818510 CCOC(=O)C1=C(ON=C1C)C2=CC=C(O2)Br 1 2.543 1 4 -5.39890208081265 2818509 CCOC(=O)C1=C(ON=C1C)C2=CC=CO2 1 1.975 1 4 0 -2.95475055712305 2818483 CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(O2)Br 1 0.714 1 4 0 -14.2511362932935 2818482 CN(C1CCS(=O)(=O)C1)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 0.481 2 6 0 -17.1475621666333 2818470 CC1=NC(=CC=C1)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)OC 1 4.259 1 2 -2.52217496877422 2818463 CN(C)/C=C\1/C(=NNC1=O)C2=CC=CC=C2 1 0.948 3 1 0 -7.43064045905721 2818457 C1CN(CCN1)C2=NC=CC=N2.Cl Cl- 1 -0.465 4 0 0 -1.39990284926057 2818439 COC(=O)CCN1CCC2=C1C=CC(=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-] 1 4.286 4 4 0 -11.8064085323956 2818416 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNC3=CC=C(C=C3)OC)O 1 0.83 5 4 0 -15.4288129281842 2818407 C1=CC=C(C=C1)CC2C(=O)N=C(S2)NC3=CC=CC=N3 1 3.311 3 1 -3.03527893503638 2818406 CC1=CC(=NC(=N1)SCC2=CN3C=C(C=CC3=N2)Cl)C 1 2.882 4 0 -6.15688497064595 2818401 C1C(C(CS1(=O)=O)O)NC2=CC=CC=C2 1 0.573 1 3 0 -6.62809223255371 2818392 C1=CC=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O 1 3.429 0 3 2.40051625944842 2818390 C1C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CCCCCCN3C(=O)CC(=O)N(C3=O)CC4=CC=CC=C4 1 3.269 4 6 0 -4.02332210283655 2818359 C1CC2=C(C=CC(=C2)N=NC3=CC=C(C=C3)C(F)(F)F)N(C1)CCC#N 1 5.813 4 0 -2.67215615363441 2818344 C=CCC(C1=CC=CO1)NCC2=CC=CC=C2 1 3.206 1 1 -2.94038700696169 2818321 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OC)C#N 1 2.574 2 2 -25.8106512549395 2818308 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)O)C#N 1 2.349 2 2 -24.0623056241562 2818303 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC)C#N 1 2.574 2 2 -26.3551459444394 2818301 CC1=C(C(C(=C(N1)C)C#N)C2=C(C=C(C=C2C(=O)O)OC)OC)C#N 1 1.516 3 4 0 -14.7188065395886 2818276 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OC)C(=O)C 1 0.923 2 3 0 -27.5434132621736 2818275 C1=CC(=CC=C1NC2=CC=C(C=C2)F)[N+](=O)[O-] 1 3.479 2 2 0.60281656460901 2818273 C1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)Br 1 3.186 1 1 -6.78535718896476 2818272 C1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)Cl 1 3.102 1 1 -5.32869744386332 2818232 C1=NNC(=N1)SCCCCSC2=NC=NN2 1 1.807 6 0 0 -10.0685714767182 2818226 C1=CC=C(C=C1)N2C(=NNC2=S)CC3=NNC(=S)N3C4=CC=CC=C4 1 4.043 6 0 -5.94291256430779 2818224 CC1=C(N2C=CC=CC2=NC1=O)O 1 0.647 2 2 0 -6.19844840136249 2818166 CCOC(=O)C(=NNC1=CC=CC=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C 1 4.604 4 2 1.00278468436166 2818148 C1CN(CCN(CCCN(CCN(C1)CCC#N)CCC#N)CCC#N)CCC#N 1 0.594 8 0 0 -1.00746456709134 2818143 COC1C2=C(C=C(C=C2C(=O)O1)OC)OC 1 1.474 0 5 0 -4.50134391660594 2818141 CC(=NC1=CC=CC=C1C(F)(F)F)C2=CC=NC=C2 1 3.198 2 0 0.951025259942922 2818117 CN(C)/C=C(/C1=NN=NN1C2=CC=C(C=C2)Cl)\C(=O)C3=CC=C(C=C3)Cl 1 3.825 5 1 -7.43716441178719 2818093 CC1=C(C=C(C(=C1)OC)C(=O)CCC(=O)O)OC 1 1.868 0 5 0 -5.13703921573331 2818070 CC(C1=CC=CC=C1)NC(=O)C2=CC=CS2 1 2.952 1 1 -9.96853262713609 2818069 CC1=CC=CC(=C1)C(=O)NCCCNC(=O)C2=CC(=CC=C2)C 1 2.929 2 2 -7.93347904226844 2818014 C1CN(CCC1NC(=O)CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.002 3 4 0 -12.6035080191865 2818010 C1CCC(CC1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.481 3 4 0 -8.03040573093769 2818009 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3CCCCC3 1 3.987 2 2 -3.35787379446915 2817988 C1CCN(C1)C(=O)C23CC4CCC(C2)CC(C4)C3 1 3.052 1 1 -1.45741230394905 2817968 C1=CC=C2C(=C1)C=CC(=N2)C(=O)C3=CC=CC=N3 1 3.126 2 1 -2.64484547692313 2817950 CCOCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)Cl 1 4.5 1 5 -6.58459348702514 2817883 CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)C(F)(F)F)NC(=O)C2=CC=CC=C2Cl 1 5.556 2 3 -7.72099397047861 2817882 CCOC(=O)C(C(F)(F)F)(NCCC1=CC=CC=C1)NC(=O)C 1 2.336 2 3 -9.35113382502998 2817837 CCOC(=O)C(C1=CC=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl)(C(F)(F)F)O 1 4.706 1 4 -4.91944855198146 2817836 COC(=O)C(C1=CC=C(C=C1)NC(=O)OC2=CC=CC=C2)(C(F)(F)F)O 1 3.378 1 5 -4.30385449822609 2817835 CCOC(=O)C(C1=CC=C(C=C1)NC(=O)OC2=CC=CC=C2)(C(F)(F)F)O 1 3.727 1 5 -4.51433305938313 2817827 CCOC(=O)C(C1=CC=C(C=C1)NC(=O)NC)(C(F)(F)F)O 1 1.503 2 4 0 -7.37953316181274 2817826 CNC(=O)NC1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O 1 1.154 2 4 0 -7.16905460065569 2817811 CCOC(=O)C(C1=CC=C(C=C1)N(C)C(=O)OCC)(C(F)(F)F)O 1 2.705 1 5 -6.11212995578919 2817810 COC1=CC=CC(=C1)C2C(=O)C3=CC=CC=C3C2=O 1 2.803 0 3 -2.94582946392874 2817795 C1=CC(=CC=C1CS(=O)(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 3.498 1 4 -8.25801748123636 2817751 COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=C(C=C2)Cl)Cl)OC 1 4.238 1 3 -7.18003318796853 2817729 CCCC1C(=C(NC(=O)N1)C)C(=O)OCC 1 1.159 2 3 0 -23.466504304879 2817722 C(C(=O)NN)S(=O)(=O)CS(=O)(=O)CC(=O)NN 1 -3.917 4 6 0 -5.18156083955169 2817687 C1CCC(CC1)NS(=O)(=O)C2=CC=CC=C2SC3=CC=CC=C3C(=O)O 1 4.347 1 4 -11.9998995632355 2817681 CNS(=O)(=O)C1=C(C=CC(=C1)Cl)SC2=CC=CC=C2C(=O)O 1 3.153 1 4 -6.71090974834781 2817655 C1=CC=C2C=C(C=CC2=C1)CNCC3=CC=CC4=CC=CC=C43 1 4.767 1 0 6.8500369534469 2817619 C1CC(N(C1)CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4 1 4.54 2 2 -8.32953860754042 2817615 CC1(CN=C(S1)N(C2=CC=CC=C2F)C(=O)NC3=CC=CC=C3)C 1 4.581 3 1 -8.60874501631941 2817610 CC1(CN=C(S1)N(C2=CC(=C(C=C2)F)Cl)C(=O)NC)C 1 3.669 3 1 -6.74334941639012 2817573 CCN(CC)CCC1S(=O)(=O)C(C(C(S1(=O)=O)C(=O)OCC)C2=CC=CC=C2)C(=O)OCC 1 2.413 1 8 0 -6.41338850218278 2817532 CCC(C)C1=CC(=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C=C(C1=O)C(C)CC 1 4.839 3 2 -10.6729300634156 2817482 CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)N 1 1.658 3 5 0 -15.5470911144113 2817474 CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=CC=C1 1 2.952 2 3 -10.0333492189448 2817471 CC1CN=C(S1)N(C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3 1 4.376 3 1 -6.1998638868417 2817441 C1=CC=C2C(=C1)C3=NC4=CC=CC=C4OC3=C(C2=O)Cl 1 3.398 1 2 -1.33900206251041 2817404 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C=C2)OC 1 3.93 1 2 2.30870452346089 2817392 CC1(OCC(O1)CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl.[N+](=O)(O)[O-] NO3 1 2.432 3 2 -4.32740134536113 2817391 CC(=O)CC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)O 1 1.749 1 3 0 -7.74198852736396 2817316 CC1(CC(N(C(=O)N1C)C2=CC=C(C=C2)Cl)(C)O)C 1 2.278 2 2 -2.22973256705836 2817312 CCOC(=O)C1=C(NC2(C1(C(=O)C3=CC=CC=C32)O)O)C 1 0.423 1 5 0 -11.3437900025749 2817302 CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C#N 1 2.848 2 1 -15.7301423884964 2817301 CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)C 1 2.7 1 2 -21.3019960532373 2817219 CCS(=O)CC(=O)NC1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 1.679 1 4 0 -0.779563950966725 2817166 CC1=CC=C(C=C1)C2=NC3=C(C(=C2)C4=CC=CC=C4)C(=NC=N3)N 1 4.177 4 0 1.04392943401237 2817154 CCNC1=C2C3=C(CN(CC3)C)SC2=NC(=N1)SCC(=O)N 1 1.951 5 1 0 -10.8400972170764 2817148 CCOC(=O)CN1C(=O)N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.478 3 3 -6.15953187805059 2817142 C1CC2=C(C1)SC3=C2C(=N)N(C=N3)NC4=CC=CC=C4 1 3.323 4 0 -10.0647515706691 2817139 C1=CC=C(C=C1)NC(=O)NC2=C3C(=CS2)C4=CC=CC=C4OC3=O 1 3.429 2 3 -6.57523187146735 2817123 C1COCCN1CC(=O)NC2=C3C(=CS2)C4=CC=CC=C4OC3=O 1 1.551 2 4 0 -11.3623999441097 2817122 C1CCN(CC1)CC(=O)NC2=C3C(=CS2)C4=CC=CC=C4OC3=O 1 2.78 2 3 -8.96379373319763 2817121 CN1CCN(CC1)CC(=O)NC2=C3C(=CS2)C4=CC=CC=C4OC3=O 1 1.82 3 3 0 -6.96941864283281 2817120 C1CN(CCN1CC(=O)NC2=C3C(=CS2)C4=CC=CC=C4OC3=O)C5=CC=CC=C5 1 3.492 3 3 -5.88619368143661 2817112 COC1=CC=CC(=C1)C2=CSC(=N2)NNC(=O)C3=CC=CS3 1 2.88 3 2 2.90314075358255 2817110 C1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)C3=CC=CS3 1 2.897 3 1 0.561896228002499 2817100 CCOC(=O)CN(C1=CC(=CC=C1)Cl)C(=O)COC2=C(C(=CC(=N2)C)C)C#N 1 3.412 3 4 0 -13.3983932186519 2817097 CCOC(=O)C1=C(NC(=O)NC1C2=C(C=C(C=C2)Cl)Cl)C 1 2.742 2 3 -26.4408412572529 2817096 CCOC(=O)C1=C(NC(=O)NC1C2=CN=CC=C2)C 1 0.263 3 3 0 -29.585512818509 2817094 CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C)C 1 0.847 2 4 0 -30.330632754609 2817092 CCOC(=O)CN1C(=C(N=C1C2=CN=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.51 3 2 -3.6111273921763 2817074 CC1=CC=C(C=C1)N2CC(=O)NC3=C(C2=O)OC4=C3C(=CC(=N4)C5=CC=CC=C5)C 1 4.189 3 3 -4.02084804831064 2817071 CC1=CC=CC=C1N2CC(=O)NC3=C(C2=O)OC4=C3C(=CC(=N4)C5=CC=CC=C5)C 1 4.189 3 3 -3.15425071817786 2817068 CCOC(=O)CN(C1=CC(=CC=C1)OC)C(=O)COC2=C(C(=CC(=N2)C3=CC=CC=C3)C)C#N 1 4.395 3 5 0 -12.582659572708 2817067 CCOC(=O)CN(C1=CC=CC=C1)C(=O)COC2=C(C(=CC(=N2)C3=CC=CC=C3)C)C#N 1 4.412 3 4 0 -12.5819115058065 2817064 CCOC(=O)CN(C1=CC=CC=C1C)C(=O)COC2=C(C(=CC(=N2)C3=CC=CC=C3)C)C#N 1 4.898 3 4 0 -15.8737634114998 2817063 CCOC(=O)CN(C1=CC=C(C=C1)F)C(=O)COC2=C(C(=CC(=N2)C3=CC=CC=C3)C)C#N 1 4.617 3 4 0 -11.0748029299452 2817052 C1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)C4=CC=CS4 1 3.728 3 1 -8.49996836335711 2817048 CC1=CC(=NC2=C1C3=C(S2)C(=O)N(CC(=O)N3)C4=CC=CC=C4)C 1 2.597 3 2 -10.0113579814446 2817045 CC1=CC=CC=C1N2CC(=O)NC3=C(C2=O)SC4=C3C(=CC(=N4)C)C 1 3.083 3 2 -8.90334105349103 2817042 CC1=CC(=NC2=C1C(=C(S2)C(=O)NN3CC(=O)N(CC3=O)C4=CC(=CC=C4)Cl)N)C 1 1.829 5 3 0 -6.02715960445603 2817041 CC1=CC(=NC2=C1C(=C(S2)C(=O)NN3CC(=O)N(CC3=O)C4=CC=CC=C4)N)C 1 1.165 5 3 0 -10.1018330277027 2817037 C1CN(C2=CC=CC=C21)CC(=O)NN3CC(=O)N(CC3=O)C4=CC=CC=C4 1 1.03 4 3 0 -16.7626029265502 2817025 COC1=CC=C(C=C1)C2=NC3=C(C(=C2)C4=CC=CC=C4)C(=NC=N3)N 1 3.674 4 1 0.630963224868229 2817021 C1CN(C2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.408 3 3 0 -17.361665874694 2817019 C1CC2=CC=CC=C2N(C1)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.864 3 3 0 -18.2275918708035 2817011 CCN(CC)CC(=O)NC1=C2C(=CS1)C3=CC=CC=C3OC2=O 1 2.56 2 3 -10.1556613190087 2817004 CCOC(=O)CN(C1=CC=C(C=C1)Cl)C(=O)COC2=C(C(=CC(=N2)C)C)C#N 1 3.412 3 4 0 -12.8763138031341 2817002 CCOC(=O)CN(C1=CC=C(C=C1)F)C(=O)COC2=C(C(=CC(=N2)C)C)C#N 1 2.953 3 4 0 -13.9864354682556 2817001 CC1=CC(=NC2=C1C3=C(O2)C(=O)N(CC(=O)N3)C4=CC(=CC=C4)Cl)C 1 2.703 3 3 -2.69175073908664 2816990 CC1=CC(=NC2=C1C3=C(O2)C(=O)N(CC(=O)N3)C4=CC(=CC=C4)OC)C5=CC=CC=C5 1 3.687 3 4 0 -3.78938708409986 2816989 CC1=CC(=NC2=C1C3=C(O2)C(=O)N(CC(=O)N3)C4=CC=CC=C4)C5=CC=CC=C5 1 3.703 3 3 -4.38688611116731 2816987 CCOC(=O)CN(C1=CC=C(C=C1)C)C(=O)COC2=C(C(=CC(=N2)C3=CC=CC=C3)C)C#N 1 4.898 3 4 0 -11.9749765497442 2816923 C=CCN1C(=O)N2C(=N1)CSC3=CC=CC=C32 1 2.042 3 1 -10.0801773608081 2816928 C1=CC=C(C=C1)C2=CN(C(=N2)SCC(=O)NN)C3=CC=CC=C3 1 2.892 4 1 -4.56619324384214 2816963 CN1CCN(CC1)CC(=O)NN2CC(=O)N(CC2=O)C3=CC=C(C=C3)F 1 -0.554 5 3 0 -6.53119342802038 2816956 COC1=CC=C(C=C1)C(C2=C(NC(=S)NC2=O)N)C3=C(NC(=S)NC3=O)N 1 1.057 6 3 0 -8.03404511570831 2816955 COC1=CC=CC(=C1)C(C2=C(NC(=S)NC2=O)N)C3=C(NC(=S)NC3=O)N 1 1.057 6 3 0 -8.24384290939317 2816950 C1=CC=C(C=C1)C2=CC(=O)N3C(=NC=N3)N2CC(=O)NN 1 -0.392 6 2 0 -6.93017411765436 2816922 C1C2=NN(C(=O)N2C3=CC=CC=C3S1)CC(=O)NN 1 -0.213 5 2 0 -10.348991552299 2816921 CCN1C(=NNC1=S)CN2C(=O)CSC3=CC=CC=C32 1 1.856 4 1 0 -9.58516062155315 2816917 C1C2=NN(C(=O)N2C3=CC=CC=C3S1)CC(=O)NN=CC4=CC=NC=C4 1 0.98 6 2 0 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C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C=NN4C(=NNC4=S)C5=CC=NC=C5 1 4.664 8 2 0 4.87758297913478 2815971 CC1=CC=C(C=C1)C2=NN(C=C2C=NN3C(=NNC3=S)C4=CC=NC=C4)C5=CC=CC=C5 1 5.256 7 0 0 7.38343082940573 2815970 CC(=O)CSC1=CC(=NC2=NC=NN12)C3=CC=CC=C3 1 2.85 4 1 -9.82554309744659 2815964 CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=NN3 1 2.61 5 1 -27.9953301604363 2815948 CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CO3 1 2.962 3 2 -7.55173776016863 2815930 CC1=C(N2C=CC=CC2=N1)C(=O)NNC(=S)NC3=CC=CC=C3 1 2.725 5 1 -7.25777742003325 2815929 C1CCC(CC1)NC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC=CO4 1 2.816 2 3 -11.4749659071624 2815926 C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)N=N2 1 4.892 6 0 -8.25017505527636 2815914 CCOC(=O)C(C(=O)C)SC1=CC(=NC2=NC=NN12)C3=CC=CC=C3 1 3.255 4 3 0 -12.1039518059798 2815908 C1=CC(=CN=C1)CNCC2=CC=CO2.Cl Cl- 1 0.982 2 1 0 -1.92089745862826 2815906 CC(=O)NC1=CC=CC=C1OCC2CC(=NO2)C3=CC=CC=C3 1 2.391 2 3 -7.27469068990511 2815904 C1=CC(=C(C=C1Cl)N)NC2=CC=NC=C2 1 2.147 3 0 4.62294611385522 2815899 CC1=CC(=O)OC2=C1C=CC(=C2)OCC3CC(=NO3)C4=CC=CC=C4 1 3.787 1 4 -4.31536664903067 2815890 CNC1=NC2=C(N1[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O)N=CN=C2N 1 -2.003 6 4 0 -14.9859248015907 2815883 COC1=CC=C(C=C1)C2=NOC(C2)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 2.006 2 5 0 -2.67806198345784e-002 2815881 C1=CC=NC(=C1)OC2=CC=CC3=C2N=CC=C3 1 2.965 2 1 -1.91669301833347 2815880 CN1C2=C(N=C1NC3CCCC3)N(C(=O)N(C2=O)C)C 1 1.18 5 2 0 -11.4972123211147 2815878 C1C(ON=C1C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)Cl 1 3.807 1 3 -2.69039097775084 2815877 C1C(ON=C1C2=CC=CC=C2)COC(=O)C3=CC=CO3 1 2.538 1 4 -3.52983735639482 2815870 C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(=O)O 1 3.01 1 2 -3.05481990884565 2815858 C1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=C2)C(F)(F)F 1 2.648 2 2 -1.51984695752274 2815852 CC(=NO)C(C)(C)NC1=CC(=CC=C1)F 1 2.289 2 1 1.44147400532436 2815851 CC(=NO)C(C)(C)NC1=CC=CC=C1F 1 2.289 2 1 -1.03710991045253 2815848 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(OC=N3)C4=CC=CC=C4 1 2.536 2 4 -9.19705786825372 2815847 CC1=CC(=NN1C(C)(C)C)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.555 3 3 -9.53395360670829 2815845 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=COC=C3 1 1.504 1 4 0 -11.5094432719547 2815835 C1=CC=C2C(=C1)C=CC=C2C3=NNC(=S)N3C4=CN=CC=C4 1 3.436 4 0 -2.10428974438095 2815832 CC1=NC(=NN1)C2=CC(=CC=C2)Cl 1 2.135 3 0 7.67663764667475 2815828 COC1=CC=CC(=C1)CC2=NNC(=S)N2CC3=CC=CO3 1 2.885 3 2 -7.54451073035896 2815822 CC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)OC(C)(C)C)Cl 1 3.156 3 3 -7.90933041839558 2815820 CC1=C(C=C(C=C1)F)NC(=O)N2CCCN(CC2)C(=O)OC(C)(C)C 1 2.697 3 3 -9.04605766456177 2815812 C1=CC=C2C(=C1)N=C(S2)C3=C(SC=C3)NC(=O)NC4=C(C=C(C=C4)F)F 1 4.729 3 1 1.04057189486829 2815785 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCO3)CC4=CC(=CC=C4)Br 1 2.468 5 3 0 -19.2548127143301 2815774 COC1=CC=C(C=C1)C2=NOC(C2)COC3=CC=C(C=C3)[N+](=O)[O-] 1 3.149 2 5 0 -1.72684514260038 2815773 COC1=CC=CC=C1C2=NOC(C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.021 2 6 0 -7.76785751999115 2815755 C1=CC(=C(C(=C1)Cl)OC2=NC=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)O)Cl 1 3.077 4 4 0 -7.58144257733116 2815751 CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 4.125 3 4 0 -5.7321485110485 2815750 CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)NC2=CC=CC=C2 1 2.005 3 3 -8.49784041067765 2815734 CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)NC2=CC=C(C=C2)C(F)(F)F 1 2.948 3 3 -4.89882721989747 2815733 CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)NC2=CC(=CC=C2)Cl 1 2.67 3 3 -5.59231701559886 2815721 CC(C)S(=O)(=O)C1=CSC(=C1N)C(=O)NC2=CC=C(C=C2)F 1 2.279 2 3 -9.00223331723326 2815720 CC1=C(C=C(C=C1)F)NC(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 3.246 4 1 0.730016492897941 2815719 CC(C)(C)NC(=O)N1CCCN(CC1)C2=NC=C(C=C2)C(F)(F)F 1 1.909 4 1 0 -4.66209156798349 2815718 C1CN(CCN(C1)C(=O)NC2=CC=CC=C2)C3=NC=C(C=C3)C(F)(F)F 1 2.554 4 1 1.55700741284489 2815710 C1C(CN(C1=O)CC2=CC=CO2)C(=O)NC3=CC=C(C=C3)F 1 1.28 2 3 0 -8.12428518662241 2815709 CC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)CC3=CC=CO3 1 1.561 2 3 0 -8.83616221208766 2815708 CC1=CC=C(C=C1)CN2CCS(=O)(=O)CC2 1 1.806 1 2 0 -0.648556930465344 2815701 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)N(C)C 1 2.746 3 3 -7.0696018425863 2815695 CC1=CC(=CC(=C1)NC(=O)NC2=CN=CC=C2)C 1 2.344 3 1 -3.39653827391114 2815694 CC1=C(C=C(C=C1)NC(=O)NC2=CN=CC=C2)Cl 1 2.522 3 1 -2.57591842117235 2815693 C1CN(CCN1CC(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(S3)Cl 1 0.103 3 4 0 -15.7797044402036 2815692 C1=CC=C2C(=C1)NC(=O)C(=N2)C3=CC=C(C=C3)Cl 1 3.172 2 1 -5.15714205253854 2815688 CCOC(=O)C1=CN2C(=N1)C=CC(=N2)N3CCCCC3 1 1.734 4 2 0 -4.48913032420072 2815687 CCOC(=O)C1=CN2C(=N1)C=CC(=N2)OC3=CC=C(C=C3)C(=O)OC 1 2.69 3 5 0 -6.35680447354934 2815684 CCOC(=O)C1=CN2C(=N1)C=CC(=N2)OC3=CC=C(C=C3)NC(=O)C 1 1.955 4 4 0 -8.11076361713833 2815683 CCOC(=O)C1=CN2C(=N1)C=CC(=N2)OC3=CC=CC=C3 1 2.835 3 3 -4.42703413632928 2815682 CCOC(=O)C1=CN2C(=N1)C=CC(=N2)OC3=CC=C(C=C3)C#N 1 2.714 4 3 0 -6.56453927403115 2815681 CCOC(=O)C1=CN2C(=N1)C=CC(=N2)OC3=CC=C(C=C3)C 1 3.321 3 3 -3.93880012436047 2815680 CCOC(=O)C1=CN2C(=N1)C=CC(=N2)OC3=CC=CC(=C3)C(F)(F)F 1 3.777 3 3 -0.665786004938294 2815679 CCOC(=O)C1=CN2C(=N1)C=CC(=N2)OC3=CC=C(C=C3)OC 1 2.818 3 4 0 -4.49704290470417 2815678 CCOC(=O)C1=CN2C(=N1)C=CC(=N2)OC3=CC(=CC=C3)F 1 3.04 3 3 -1.39662267472634 2815677 CCOC(=O)C1=CN2C(=N1)C=CC(=N2)N3CCCC3 1 1.278 4 2 0 -4.13466181003264 2815672 C1COCCN1C(=O)NCC2=CC=C(C=C2)C#N 1 0.725 3 2 0 -11.6791852600198 2815658 COC1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.101 1 4 -5.78366782773463 2815656 COC1=CC=C(C=C1)C2=C(SN=N2)N3C(=O)C4=CC=CC=C4C3=O 1 3.038 3 3 -3.14926873857043 2815652 C1C(CN(C1=O)CCC2=CC=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.653 2 4 -14.6184765098487 2815651 COC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)CCC3=CC=C(C=C3)Cl 1 2.862 2 3 -5.66727838363275 2815637 COC1=CC=CC=C1NC(=O)NC2=C(C=CS2)C3=NC4=CC=CC=C4S3 1 4.301 3 2 -2.96962348785718 2815636 C1=CC=C2C(=C1)N=C(S2)C3=C(SC=C3)NC(=O)NC4=CC(=CC=C4)Cl 1 4.982 3 1 4.50921811182022 2815635 C1=CC=C(C=C1)NC(=O)NC2=C(C=CS2)C3=NC4=CC=CC=C4S3 1 4.318 3 1 1.53267594625381 2815634 C1=CC=C2C(=C1)N=C(S2)C3=C(SC=C3)NC(=O)NC4=CC=C(C=C4)F 1 4.523 3 1 2.56962010710481 2815631 CC1=CC=C(N1C)CNC(=O)NC2=C(C(=CC=C2)Cl)C 1 3.203 3 1 -6.62532538499373 2815628 CC1=CC=C(N1C)CNC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 4.172 3 2 -3.87432633331823 2815627 CC1=CC=C(N1C)CNC(=O)NC2=CC=CC=C2OC 1 2.036 3 2 -11.2246825533488 2815626 CC1=CC=C(N1C)CNS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F 1 2.789 2 2 -2.11163219723345 2815622 CC1=CC=C(N1C)CNC(=O)NC2=CC=CC=C2 1 2.052 3 1 -6.7223831192378 2815620 CC1=CC=C(N1C)CNC(=O)NC2=CC=C(C=C2)F 1 2.258 3 1 -5.8538519553992 2815618 CC1=CC=C(N1C)CNC(=O)NC2=C(C=C(C=C2)F)F 1 2.463 3 1 -7.38290016763572 2815617 C1CN(CCN(C1)C(=O)COCC(=O)O)C2=NC=C(C=C2)C(F)(F)F 1 0.2 3 4 0 -2.37134076684775 2815616 C1CN(CCN(C1)C(=O)CSCC(=O)O)C2=NC=C(C=C2)C(F)(F)F 1 0.944 3 3 0 -4.79041763505634 2815614 C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)C3=NC=C(C=C3)C(F)(F)F 1 3.291 3 2 -8.23320046982374 2815610 C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=NC=C(C=C3)C(F)(F)F 1 3.014 3 2 -6.60804596379212 2815609 C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)C3=NC=C(C=C3)C(F)(F)F 1 2.228 4 2 -11.0557838040496 2815608 C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)F)C3=NC=C(C=C3)C(F)(F)F 1 2.555 3 2 -7.10167049433155 2815607 C1CN(CCN(C1)S(=O)(=O)C2=C(C=C(C=C2)F)F)C3=NC=C(C=C3)C(F)(F)F 1 2.76 3 2 -5.17289787604618 2815603 C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)F)C3=NC=C(C=C3)C(F)(F)F 1 2.76 4 1 2.14676491062066 2815600 C1CN(CCN(C1)C(=O)NC2=C(C=C(C=C2)F)F)C3=NC=C(C=C3)C(F)(F)F 1 2.965 4 1 1.97060102589467 2815599 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCOCC3 1 0.343 3 4 0 -21.8891277250346 2815598 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCOCC3 1 -1.022 4 5 0 -26.0610912178125 2815597 C1CN(CCN1CC(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)F 1 6.3e-002 3 4 0 -21.1772506995694 2815596 CCOC1=CC=CC=C1NC(=O)NC2=CN=C(C=C2)OC 1 2.227 3 3 -10.2584745682784 2815595 COC1=NC=C(C=C1)NC(=O)NC2=CC=CS2 1 1.681 3 2 0 -7.41889638540538 2815594 CC1=CC(=CC(=C1)NC(=O)NC2=CN=C(C=C2)OC)C 1 2.867 3 2 -5.50112404120928 2815592 COC1=NC=C(C=C1)NC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 3.462 3 3 -5.7161047629233 2815591 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CN=C(C=C2)OC 1 1.956 3 4 0 -7.10964537241758 2815590 COC1=NC=C(C=C1)NC(=O)NC2=CC=C(C=C2)F 1 2.1 3 2 -4.23810291690232 2815589 C1=CC=C(C(=C1)C(=O)N)NCC(=O)C2=CC=C(C=C2)F 1 2.102 2 2 -3.68967595463844 2815587 COC1=NC=C(C=C1)NS(=O)(=O)C2=CC=C(S2)Cl 1 1.935 2 3 0 -0.450945702534917 2815581 CCOC(=O)N1CCC(CC1)NC(=O)CCCC(=O)O 1 3.7e-002 2 5 0 -17.3701857101465 2815569 C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC=CO3 1 1.896 1 4 0 -7.27804743639491 2815568 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3COC4=CC=CC=C4O3 1 3.047 2 4 -11.0998139479984 2815560 C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=CC=CS3 1 0.69 5 1 0 -3.72139112272831 2815550 C1=CC(=CC=C1CSC2=NNC(=N2)NS(=O)(=O)C3=CC=C(C=C3)F)Cl 1 4.135 4 2 -4.07893402428947 2815549 C1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl 1 3.93 4 2 -5.68682068899088 2815544 CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CSC=C2 1 3.677 1 1 -3.38610303435656 2815542 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=CSC=C2 1 3.219 1 1 -6.73541305525515 2815533 COC1=CC=CC(=C1)CC(=O)NNC(=O)C2=CC3=C(C=C2)OCO3 1 1.658 2 5 0 -10.177636308234 2815530 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=O)CC3=CC(=CC=C3)OC 1 2.436 3 4 0 -11.220543565172 2815521 C1=CC=C(C=C1)NC2=NN=C(O2)C3=CC=CC4=CC=CC=C43 1 3.492 3 1 3.79807227776772 2815514 COC1=C(C=C2C(=C1)C=C(C(=O)O2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC 1 2.55 2 7 0 -10.7828975970218 2815504 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=C(C=C2)Cl 1 2.064 2 3 -6.26004242804295 2815503 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=CS2 1 1.353 2 3 0 -10.1044066697832 2815500 CCOC(=O)N1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)C)Cl 1 2.254 2 4 -10.4054897251491 2815497 CCOC(=O)N1CCC(CC1)NS(=O)(=O)C2=CC=CC=C2 1 1.103 2 4 0 -10.5281486096806 2815494 CCOC(=O)N1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)C#N 1 0.982 3 4 0 -12.2578781201152 2815493 CCOC(=O)N1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)C 1 1.589 2 4 0 -9.63213897044447 2815491 CC1=C(C=C(C=C1)NC(=O)NC2=CC(=NN2C)C3=CC=CC=C3)Cl 1 4.394 4 1 -1.29482344790757 2815490 CC1=CC=CC=C1NC(=O)NC2=CC(=NN2C)C3=CC=CC=C3 1 3.73 4 1 -5.44718599552839 2815489 CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3F 1 3.449 4 1 -4.13734436654977 2815476 C1=CC=C(C(=C1)C(F)(F)F)NS(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3 1 4.134 2 2 1.5209725325246 2815459 C1CC1CNC(=O)NC2=CC=CS2 1 1.553 2 1 0 -8.08169040286078 2815457 CC1=CC(=CC=C1)NC(=O)NCC2CC2 1 2.252 2 1 -3.65246165967535 2815453 CN1C2=C(CCCC2)C(=O)N3C1=NC=N3 1 1.066 4 1 0 -11.0836860279059 2815448 C1[C@@H]([C@H]1NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 1 2.958 2 4 -3.59456038984372 2815430 C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC=C2C4=NN=NN4C5=CC=C(C=C5)Cl)Cl 1 5.675 5 0 1.37475475956248 2815428 C1CC1CNC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.708 2 1 -1.17429462337974 2815427 C1CC1CNC(=O)NC2=CC=CC=C2 1 1.766 2 1 0 -5.69676135137783 2815426 C1CC1CNC(=O)NC2=CC=C(C=C2)Cl 1 2.43 2 1 -3.71810852241766 2815425 C1CC1CNC(=O)NC2=CC(=CC=C2)Cl 1 2.43 2 1 -2.79123795629903 2815417 C1COC2=C1C=C(C=C2)C(=O)NC(=O)C3=CC=CC=C3O 1 2.302 1 4 -2.92828200169405 2815412 CC(=NO)C(C)(C)NC1=CC=C(C=C1)F 1 2.289 2 1 0.301645288914244 2815410 CC(=NO)C(C)(C)NC1=CC=C(C=C1)Cl 1 2.748 2 1 1.41176695403581 2815409 CC(=NO)C(C)(C)NC1=CC(=CC=C1)Br 1 2.832 2 1 1.10918487817925 2815408 CC(=NO)C(C)(C)NC1=CC=C(C=C1)Br 1 2.832 2 1 -4.48927910656268e-002 2815400 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(N=CC=C3)OC4=CC=C(C=C4)Cl 1 4.013 2 4 -5.69776018524997 2815365 CC1=NN(C=C1C=NNC(=O)C2=CC=CS2)C3=CC=CC=C3 1 3.145 4 1 0.58573658138995 2815355 C=CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C5=CC=CO5 1 5.127 4 2 -8.83836899383657 2815325 CCOC(=O)COC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CO3)C#N 1 3.997 2 4 -7.57210656690688 2815322 CCOC(=O)COC1=C(C(=CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=CO3)C#N 1 4.661 2 4 -5.17819723348008 2815321 CCOC(=O)COC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CO3)C#N 1 4.483 2 4 -7.0001959240669 2815320 CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C=N3)C)C 1 1.926 3 1 0 -5.17469474381789 2815319 CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C=N3)CC(=O)C)C 1 1.508 3 2 0 -10.1927756566479 2815318 CCOC(=O)CN1C=NC2=C(C1=O)SC3=C2C(=CC(=N3)C)C 1 1.982 3 3 0 -11.1282795400459 2815317 CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C=N3)CC4=CC=C(C=C4)F)C 1 3.715 3 1 -3.763237367232 2815314 CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C=N3)CC(=O)C4=CC=CC=C4)C 1 3.182 3 2 -10.257359109783 2815288 C1COCCN1CCCN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4C(=O)O 1 -0.862 3 4 0 -14.1716941337254 2815287 CC(C)S(=O)(=O)C1=CSC(=C1N)C(=O)NC2=CC=C(C=C2)OC 1 2.057 2 4 -10.1270765518427 2815283 C1CC(=O)NN=C1C(=O)NC2=CC=CC=C2N3CCOCC3 1 0.155 4 3 0 -18.9542871700719 2815281 C1CN(C(C2=C1SC=C2)C3=CC=C(C=C3)OC(F)(F)F)S(=O)(=O)C4=CC=CC(=C4)F 1 6.209 1 3 -8.53826784018967 2815279 CC1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CCN4CCNC4=O 1 2.353 4 2 -19.6278210267664 2815278 CC1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4 1 3.029 3 2 -10.406783254389 2815276 CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)F 1 3.449 4 1 -0.874964372129399 2815275 CC1=CC(=CC(=C1)NC(=O)NC2=CC(=NN2C)C3=CC=CC=C3)C 1 4.216 4 1 -2.11544330064636 2815274 CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC(=NN2C)C3=CC=CC=C3 1 4.644 4 1 0.991292751516655 2815271 CN1C(=CC(=N1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.039 3 2 -1.15319321585654 2815270 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NN2C)C3=CC=CC=C3 1 2.159 4 3 0 -4.7021291435391 2815268 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=NN2C)C3=CC=CC=C3)Cl 1 4.189 3 2 -0.877340773498374 2815267 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NN2C)C3=CC=CC=C3 1 3.525 3 2 3.58478854278564e-002 2815266 CN1C(=CC(=N1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C#N 1 2.917 4 2 -2.58989126424282 2815262 CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)CCCC(=O)O 1 1.973 3 3 0 -10.3120087921513 2815261 CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)C3CCCCC3 1 3.798 3 1 -0.399439756374355 2815256 COC1=CC=CC(=C1)NC(=O)N2CCCC3=CC=CC=C32 1 3.243 2 2 -6.79302933074295 2815240 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3C(=O)O 1 0.625 4 3 0 -4.90680147985077 2815239 C1CN(CCN1C2=NC=CC=N2)C(=O)CCC(=O)O 1 -0.824 4 3 0 -7.85829960971168 2815238 C1CN(CCN1C2=NC=CC=N2)C(=O)CCCC(=O)O 1 -0.368 4 3 0 -9.83530494881099 2815231 COC1=CC=CC(=C1)C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl 1 4.21 4 2 -7.34394851660376 2815230 CC1=CC=CC=C1C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl 1 4.713 4 1 -9.0181478388358 2815225 COC1=C(C=C(C=C1)N2C(=O)CSCC2=O)OC 1 1.074 1 4 0 -6.41305805485286 2815224 CC1(CC(=O)N(C(=O)C1)C2=CC(=C(C=C2)OC)OC)C 1 1.871 1 4 0 -9.42163753609191 2815223 CC(C)(C)C(=O)OCC1=NC(=CS1)C2=CC(=C(C=C2)O)O 1 3.262 1 4 6.92569538392951 2815215 C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)NCC3=CC=NC=C3 1 3.881 2 1 -5.36986556416504 2815214 C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)NCC3=CN=CC=C3 1 3.881 2 1 -7.36875051379832 2815209 C1=CC=C(C=C1)C2=CSC(=N2)C3=CC=C(C=C3)C4=CSN=N4 1 4.649 3 0 2.21437483506551 2815208 C1=CC=C(C=C1)C(C[N+](=O)[O-])C2C3=CC=CC=C3NC2=O 1 2.513 2 3 -9.71365073743992 2815207 C1=CC=C2C(=C1)C(C(=O)N2)C(C[N+](=O)[O-])C3=CC=CC=N3 1 1.648 3 3 0 -9.2590149144257 2815206 C1=CC=C2C(=C1)C(C(=O)N2)CC3=CC=CC=N3 1 1.626 2 1 0 -7.76087149974271 2815205 C1CSC2=NC(=CN21)C3=CC=C(C=C3)C#N 1 2.651 3 0 1.26891282944156 2815203 C1=CC(=CC=C1C(=O)CNC(=O)CCC(=O)O)F 1 0.68 1 4 0 -13.8386654868383 2815202 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)C3=CC=C(C=C3)F 1 2.323 1 3 -4.65882459312524 2815199 CC1=NN=C2C=CC=C(C2=C1)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.524 3 2 -0.456916783732002 2815195 C1=CC(=CC=C1NS(=O)(=O)C2=CC=C(S2)C3=NOC=C3)OC(F)F 1 3.602 2 4 4.15192092281258 2815194 CN1C=C(N=C1)S(=O)(=O)NC2=CC=C(C=C2)OC(F)F 1 1.755 3 3 0 0.339055316985735 2815191 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)OC(F)F 1 3.389 2 4 -2.41737163956852 2815190 CC1=C(C(=NO1)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)OC(F)F 1 3.874 3 3 0.910264125000638 2815186 CCCC1=CC=C(C=C1)C(=O)NC(=O)C2=CC=CC=C2O 1 3.643 1 3 -0.553375853556997 2815183 COC1=CC=CC=C1CC(=O)NC(=O)C2=CC=CC=C2O 1 2.262 1 4 -4.61618539358413 2815177 COC1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.804 1 5 0 -2.35148108819106 2815176 CC1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.307 1 4 -1.93851487904692 2815175 C1COC2=C(C=C(C=C2)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O)OC1 1 1.669 1 6 0 -5.19482253506759 2815170 C1COC2=C(O1)C=CC(=C2)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 1.607 1 6 0 -5.69664987607021 2815168 CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N=CN(C)C)C#N 1 2.748 5 0 -6.47292470357502 2815160 CC1=NC2=C(C=C(C=C2)Cl)C3=C1CCN3C4=CC(=CC=C4)OC 1 4.777 2 1 2.30259807996101 2815156 CN1C2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)C(=O)N(C1=O)C 1 1.738 4 3 0 -13.6685213611268 2815155 C1CC2=C(C1)SC3=C2C(=N)N(C=N3)N 1 1.026 4 0 0 -12.2178367129032 2815151 C1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(O3)C(=O)NN)N)C4=CC=CC=C4 1 2.702 4 2 1.08452648906888 2815150 C1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(O3)C(=O)NN)N)C4=CC=C(C=C4)Cl 1 3.366 4 2 4.57144769673162 2815149 CN1C2=CC=CC=C2N3C1=C(C(=CC3=O)C4=CC=CC=C4)C#N 1 3.366 3 1 -0.298159811769241 2815145 CC1=NN(C=C1C=NNC(=S)N)C2=CC=CC=C2 1 2.308 5 0 2.64563417356212 2815138 CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC 1 5.46 2 3 -7.69638740775852 2815131 C1=CC=C(C=C1)C2=C(C(=O)N(N=C2C3=CC=CC=C3)CC(=O)NNC(=O)NC4=CC=C(C=C4)Cl)C#N 1 3.437 6 3 0 -9.0917963665247 2815124 CC1=NC2=C(C(C3=C(O2)C4=CC=CC=C4OC3=O)C5=CC=C(C=C5)OC)C(=O)N1 1 2.601 2 5 0 -9.57770917205082 2815121 C1CC2=C(C1)N(C3=NC=NN3C2=O)CC(=O)NN=CC4=CC=CS4 1 1.269 6 2 0 -17.6846518415059 2815119 C1CC2=C(C1)N(C3=NC=NN3C2=O)CC(=O)NN=CC4=CC=C(C=C4)Cl 1 1.98 6 2 0 -14.5177634200957 2815115 CC1=NN(C(=C1)NC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3 1 3.82 4 1 -3.89276036801528 2815112 CC1(CC2=C(C(C3=C(N2)NC(=S)NC3=O)C4=CC=CC=C4)C(=O)C1)C 1 2.708 3 2 -23.6228927600604 2815107 CN1C(=NN=C1SCC(=O)NNC(=S)NC2=CC=CC=C2)C3=CC=NC=C3 1 2.553 7 1 0 -13.8486566319574 2815100 C1=CC=C(C=C1)C2=NN(C=C2C=NN3C(=NNC3=S)C4=CC=NC=C4)C5=CC=CC=C5 1 4.77 7 0 0 6.61588295104229 2815090 CC1=CC(=NC2=C1C(=C(O2)C(=O)NN)N)C3=CC=CC=C3 1 1.67 4 2 0 2.01044294766197 2815087 CC1=NN(C2=NC(=C(C=C12)C(=O)N)N)C3=CC=CC=C3 1 1.382 5 1 0 -2.13683220763293 2815063 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)C4=CC=C(C=C4)Cl 1 3.227 4 2 -3.96117386469156 2815060 CC1=NC2=C(C(C3=C(O2)C4=CC=CC=C4OC3=O)C5=CC=CC=C5Cl)C(=O)N1 1 3.282 2 4 -8.33426404792037 2815059 CC1=NC2=C(C(C3=C(O2)C4=CC=CC=C4OC3=O)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)N1 1 2.512 3 6 0 -11.2591407502639 2815052 CC1=NN(C(=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3 1 4.485 4 1 -4.92414670498253 2815040 CCN1C(=NNC1=S)CN2C3=CC=CC=C3SC4=CC=CC=C42 1 4.346 4 0 -1.47015145768122 2815029 CC1=CN(C(=O)NC1=O)CC2=CC=CC=C2CN3C=C(C(=O)NC3=O)C 1 0.618 4 4 0 -6.06318607720138 2815027 CC1=NOC(=C1)C2=CC=CC=C2C(=O)NCCCOC 1 1.516 2 3 0 -12.2136813628339 2815026 CC1=NOC(=C1)C2=CC=CC=C2C(=O)NC3=CC=CC=C3O 1 2.919 2 3 -2.03044049493083 2815025 CC1=NOC(=C1)C2=CC=CC=C2C(=O)NC3CCCCC3 1 3.442 2 2 -7.58260509775518 2815021 CN1C2=C(N=C1NN=CC3=CC=CS3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C 1 2.96 6 2 0 -8.90198239484932 2815019 CN1C2=C(N=C1SC3=CC=CC=C3N)N(C(=O)N(C2=O)C)C 1 1.813 5 2 0 -11.5685683589795 2815004 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COCC3=CC=CC=C3)OCC4=CC=CC=C4 1 2.834 4 4 0 -15.7560817581704 2814995 CCOC1=CC=CC=C1C=NNC2=NC3=C(N2[C@@H]4[C@H]([C@H]([C@@H](O4)CO)O)O)N=CN=C3N 1 -2.5e-002 7 5 0 -14.3410428465719 2814988 CC1CN(CC(O1)C)CCN2C=NC3=C2N=CN=C3N 1 0.345 6 1 0 -9.75989619000167 2814981 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C3=NN=C(O3)C4=CC=C(C=C4)C(F)(F)F 1 5.412 3 2 4.57407227560123 2814974 C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)COCC(=O)O 1 -1.396 2 4 0 -8.23671437952171 2814969 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C3=NN=C(O3)C4=CC=CC5=CC=CC=C54 1 5.379 3 2 1.35614761959985 2814962 CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.336 3 1 -3.41710021329449 2814958 CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)C3=CC=CS3 1 3.289 3 1 -3.05376503460677 2814953 C1COC2=C(C=C(C=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)OC1 1 2.58 2 3 -5.36991918621091 2814948 CC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)CC2)F 1 0.997 3 2 0 -14.766473920625 2814945 CC(C)C1=CC=C(C=C1)NC(=O)C2=NNC(=O)CC2 1 1.5 3 2 0 -16.2264215499636 2814944 CC1CC(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=CC(=CC=C3)Cl 1 2.62 2 3 -11.6094690671913 2814938 CC1CC(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.62 2 3 -11.8155354243928 2814937 CC1CC(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)F 1 2.161 2 3 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CCC1=CC=C(C=C1)C(=O)NNC2=C(C=C(C=C2)F)F 1 3.99 2 1 -1.48247768503219 2812871 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC2=C(C=C(C=C2)F)F 1 4.448 2 1 1.3350945998582 2812872 CC1=CC(=NO1)C(=O)NNC2=C(C=C(C=C2)F)F 1 2.076 3 2 -6.92550543586878 2812875 C1CC(C1)C(=O)NNC2=C(C=C(C=C2)F)F 1 2.597 2 1 -6.52879677596971e-002 2812897 CC1=CC(=CC(=C1)NC(=O)OC2=CC=CC=C2N3CCCCC3)C 1 5.222 2 2 -0.906484592797971 2812896 C1=CC(=C(C(=C1)Cl)C(=O)NNC2=CC(=CC(=C2)Cl)Cl)F 1 4.835 2 1 -1.59758657537462 2812889 C1CC(C1)C(=O)NNC2=C(C=CC=C2Cl)Cl 1 3.515 2 1 -0.516420169727507 2812888 C1=CC(=C(C(=C1)Cl)NNC(=O)C2=CC=NO2)Cl 1 2.711 3 2 -3.10924129558512 2812887 C1=CC(=C(C(=C1)Cl)NNC(=O)C2=CC=CS2)Cl 1 3.919 2 1 -3.82811484235988 2812886 CC1=C(SN=N1)C(=O)NNC2=C(C=CC=C2Cl)Cl 1 3.084 4 1 -8.35502525698816 2812885 CC1=CC(=NO1)C(=O)NNC2=C(C=CC=C2Cl)Cl 1 2.993 3 2 -7.23679973361495 2812881 C1=CC(=C(C(=C1)Cl)C(=O)NNC2=C(C=CC=C2Cl)Cl)F 1 4.835 2 1 -3.62529020886577 2812879 C1=CC(=C(C(=C1)Cl)NNC(=O)C2=C(C=CS2)Cl)Cl 1 4.583 2 1 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CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=CC=CS2 1 2.171 2 3 -13.244866453143 2811887 CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)C)NS(=O)(=O)C 1 3.569 2 4 -5.67921488978501 2811886 CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)C)NS(=O)(=O)C 1 3.113 2 4 -3.70046353354803 2811877 C1=CC(=C(C(=C1)Cl)Cl)NC(=O)CSC2=NC=CC(=N2)C3=CC=CS3 1 4.979 3 1 -10.1390865701463 2811873 C1=CSC(=C1)C2=NC(=NC=C2)SCC(=O)NC3=CC=C(C=C3)Cl 1 4.315 3 1 -8.13265867478034 2811872 C1=CSC(=C1)C2=NC(=NC=C2)SCC(=O)NC3=CC(=C(C=C3)F)Cl 1 4.52 3 1 -8.05619447391685 2811871 C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NC=CC(=N2)C3=CC=CS3 1 4.315 3 1 -7.3031823351865 2811862 CCC1=CC(=NC=C1)NC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 4.42 3 2 -2.8418327041649 2811859 CCC1=CC(=NC=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C 1 2.914 3 3 -4.10182455834608 2811847 CC1=CC=C(C=C1)C2=NNC(=O)C(=C2)CC3=CC=CS3 1 3.4 2 1 -4.81489881266498 2811846 CC1=CC=C(C=C1)C2=NNC(=O)C(=C2)CC3=CC=CC=C3 1 3.868 2 1 -3.70119480640001 2811845 CC1=CC=C(C=C1)C2=NNC(=O)C(=C2)CC3=CC=C(C=C3)N(C)C 1 4.03 3 1 -5.54766628023306 2811844 CC1=CC=C(C=C1)C2=NNC(=O)C(=C2)CC3=CC=C(C=C3)F 1 4.074 2 1 -2.17450287615516 2811843 CC1=CC=C(C=C1)CC2=CC(=NNC2=O)C3=CC=C(C=C3)C 1 4.354 2 1 -3.71269884383796 2811842 CC1=CC=C(C=C1)C2=NNC(=O)C(=C2)CC3=CC=NC=C3 1 2.717 3 1 -3.41038435239644 2811840 CC1=CC=C(C=C1)C2=NNC(=O)C(=C2)CC3=CC=CC=N3 1 2.725 3 1 -4.53536314276788 2811823 CC1=CC=C(C=C1)CC2=CC(=NNC2=O)C3=CC=C(C=C3)F 1 4.074 2 1 -2.17450287615516 2811822 C1=CC(=CC=C1CC2=CC(=NNC2=O)C3=CC=C(C=C3)F)F 1 3.793 2 1 -3.00082181837271 2811817 C1=CC=C(C=C1)C(=O)NNC2=CC=C(C=C2)S(=O)(=O)N 1 1.342 3 3 0 -7.8586309049635 2811813 C1=CSC(=C1)C(=O)NNC2=CC=C(C=C2)S(=O)(=O)N 1 1.295 3 3 0 -9.09953220206835 2811811 CCC1=CC=C(C=C1)C(=O)NNC2=CC=C(C=C2)S(=O)(=O)N 1 2.284 3 3 -7.30242147323324 2811807 C1=CC(=CC=C1NNC(=O)C2=C(C=CS2)Cl)S(=O)(=O)N 1 1.96 3 3 0 -8.86390809746967 2811806 C1=CC(=CC=C1NNC(=O)C2=C(C=C(C=C2)F)F)S(=O)(=O)N 1 1.753 3 3 0 -6.1940090299879 2811802 C1=CC=C(C(=C1)NC(=O)CN2C3=C(C=CC=N3)OC2=O)OC4=C(C=C(C=C4)Cl)Cl 1 4.46 3 4 0 -5.45019989927799 2811801 CCC1=CC=CC=C1CN2C3=C(C=CC=N3)OC2=O 1 3.46 2 2 -1.13765455096149 2811799 C1=CC2=C(N=C1)N(C(=O)O2)CCS(=O)(=O)C3=CC=C(C=C3)F 1 2.314 2 4 -7.17182026614313 2811792 CC1=CC2=C(C=C1)OC(=O)N2CC(=O)N3CCOCC3 1 0.985 2 4 0 -8.19071710317259 2811791 CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C)OC2=O 1 4.101 1 2 2.03255351069856 2811790 CC1=CC2=C(C=C1)OC(=O)N2CC3=CC=C(C=C3)F 1 3.821 1 2 3.01654837712927 2811781 C1=CC=C(C(=C1)C(=O)NNC2=CC=C(C=C2)S(=O)(=O)N)C(=O)O 1 0.972 3 5 0 -10.0665221596991 2811774 CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)NC2=CC=C(C=C2)C(C)(C)C 1 3.556 2 4 -7.76759491689722 2811769 CC(C)NC(=O)CSC1=NC=CC(=N1)C2=CC=CS2 1 2.8 3 1 -17.1053551918406 2811766 C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=N2)C3=CC=CS3 1 3.65 3 1 -10.2087057302653 2811759 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=NC=CN=C3C(=O)O 1 2.318 3 3 -3.71262485160457 2811755 CC1=C(C=CC=C1Cl)NC(=O)NC2=CC(=NN2C)C(C)(C)C 1 4.276 4 1 -6.48613887955496 2811751 CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)F)F)C 1 3.537 4 1 -7.5718481607524 2811743 CC1=CC(=C(O1)C)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl 1 2.523 2 3 -5.50773839162388 2811740 CC1=CC(=C(O1)C)C(=O)NC2=CC=CC=C2N3CCOCC3 1 1.859 2 3 0 -8.44856178177968 2811738 CC1=CC(=C(O1)C)C(=O)NCC2=CC3=C(C=C2)OCO3 1 1.784 1 4 0 -11.249103794925 2811737 CC1=CC(=C(O1)C)C(=O)NC2=NOC(=C2)C(C)(C)C 1 2.694 2 3 -12.0476925106902 2811735 CC1=CC(=C(O1)C)C(=O)NC2CC3=CC=CC=C3C2 1 2.44 1 2 -7.70001845714616 2811732 CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 1.978 3 2 0 -1.02512887361399 2811730 CC1=C(C=C(C=C1)F)NC(=O)NC2=CC(=NN2C)C 1 2.271 4 1 -10.2984749693068 2811728 CCCCC1=CC=C(C=C1)NC(=O)NC2=CC(=NN2C)C 1 3.434 4 1 -8.73572531768787 2811727 CC1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C 1 3.147 4 2 -8.74975252017409 2811714 C1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)CNC(=O)CSCC(=O)O 1 3.144 1 4 -13.4806794489152 2811699 CC1=C(SC=C1)CNC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 3.394 2 2 -11.1342201093523 2811693 COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)CCCC(=O)O 1 1.408 2 5 0 -17.3979657348345 2811691 COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)C3=CC=CC=C3C(=O)O 1 2.401 2 5 0 -11.0763950850256 2811690 COC(=O)C1=C(CSC1)NC2=CC=CC=C2NS(=O)(=O)C3=C(C=C(C=C3)C(F)(F)F)Cl 1 4.081 2 4 -2.39461249853531 2811664 C1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3C#N)C(=O)O1 1 1.805 2 4 0 -7.68892863821391 2811663 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC3=C(COC3=O)C=C2 1 1.893 1 6 0 -7.03050125566199 2811662 C1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)O1 1 2.868 1 4 -1.62338654298898 2811659 C1=CC=C2C(=C1)C=CC=C2NC(=O)NCC3=CSC4=C3C=C(C=C4)Cl 1 4.964 2 1 -6.30325496553174 2811658 C1=CC=C(C=C1)NC(=O)NCC2=CSC3=C2C=C(C=C3)Cl 1 4.056 2 1 -3.98594686216578 2811644 CC1=CC2=C(C=C1)N(C(=O)O2)CC(=O)C3=CC=CC=C3 1 3.288 1 3 -2.44749290287079 2811643 CC1=CC2=C(C=C1)OC(=O)N2CC(=O)C3=CC=C(C=C3)OC 1 3.271 1 4 -3.38418331098515 2811642 CC1=CC2=C(C=C1)OC(=O)N2CC(=O)C3=CC=C(C=C3)F 1 3.493 1 3 -2.25934007637576 2811638 C1=CC=C(C(=C1)C(F)(F)F)N2C(=O)NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)F 1 4.516 3 3 -15.5866403391048 2811636 CN1C=C(N=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 0.735 3 4 0 -6.07397287621756 2811632 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)Cl 1 1.888 2 5 0 -11.0184511754881 2811627 CC1=NC(=CN1CC(=O)C2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-] 1 3.993 3 4 0 -2.32849735799948 2811624 CC(C)(C)C1=NN(C(=C1)C(=O)NCC2=C3C(=CC(=C2)F)COCO3)C 1 3.185 3 3 -9.01697097940577 2811623 CC(C)(C)C1=NN(C(=C1)C(=O)NCC2=C3C(=CC(=C2)F)COCO3)CC4=CC=CC=C4 1 4.769 3 3 -9.10463074928015 2811614 CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)C)NS(=O)(=O)C 1 2.657 2 4 -5.09551245885954 2811612 CC1=C(C=C(C=C1)NC(=O)C2=CSC=C2)NS(=O)(=O)C 1 1.674 2 3 0 -11.1365078732665 2811608 CCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)NS(=O)(=O)C 1 2.954 2 3 -9.45634821598685 2811607 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)F)NS(=O)(=O)C 1 2.881 2 3 -10.5911617418161 2811606 CC1=C(C=C(C=C1)NC(=O)C2=C(C=C(C=C2)F)F)NS(=O)(=O)C 1 2.423 2 3 -7.35060317604628 2811605 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSCC(=O)O 1 -2.184 2 5 0 -9.07925779403699 2811596 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCS(=O)(=O)CC3 1 2.088 2 4 -6.42278426855807 2811595 C1CS(=O)(=O)CCN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 2.31 2 3 -5.29794103394868 2811590 CCOC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC=C3N4CCC(CC4)C(=O)OCC 1 4.703 3 3 -1.80501831534398 2811588 CC1=CC(=C(O1)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.814 2 5 0 -22.301254898651 2811587 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 1.419 2 4 0 -21.1373859982465 2811582 COC1=CC=CC=C1C2CCN(CC2)CC3=CC=CC(=C3)C(=O)N4CCC(CC4)O 1 2.935 2 3 -2.54888558709571 2811581 CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)NC2=CC=CC=C2OC 1 2.139 2 5 0 -13.6336185454197 2811580 CCCNC(=O)NC1=C(C=CC(=C1)S(=O)(=O)CC)O 1 1.451 2 4 0 -15.969745704103 2811577 CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)NC2=CC=CC3=CC=CC=C32 1 3.064 2 4 -11.0782515529707 2811576 CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CC2(CCCC2)CC(=O)O 1 1.883 1 6 0 -11.9217915773316 2811572 CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCCC(=O)O 1 0.884 1 6 0 -19.6299290638144 2811561 C1=CSC(=C1)C2=CC(=NN2C3=CC=C(C=C3)NC(=O)COCC(=O)O)C(F)(F)F 1 3.528 3 4 0 -5.17236454623222 2811560 CC(C)(CC(=O)NC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=CS3)CC(=O)O 1 5.07 3 3 -4.54865690169752 2811531 CC1=C(SC=C1)CNS(=O)(=O)C2=CC=C(C=C2)F 1 2.756 1 2 -2.92710153229608 2811519 C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)F)C3=NC=CC(=N3)C(F)(F)F 1 2.542 5 1 0.376254751465402 2811514 CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=CC(=N3)C(F)(F)F 1 2.618 4 2 -10.2005548135342 2811513 C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=NC=CC(=N3)C(F)(F)F 1 2.337 4 2 -9.76745145413177 2811512 CC(C)(CC(=O)N1CCCN(CC1)C2=NC=CC(=N2)C(F)(F)F)CC(=O)O 1 1.524 4 3 0 -4.45743487134081 2811511 C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)Cl)C(=O)O 1 2.817 2 3 -2.26303304835366 2811510 C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=CC(=C3)C(=O)O 1 3.061 2 3 -6.60905942272139 2811501 COC1=CC=C(C=C1)CC2=CC(=NNC2=O)C3=CC=C(C=C3)F 1 3.571 2 2 -2.5874690852993 2811496 C1=CC=NC(=C1)CC2=CC(=NNC2=O)C3=CC=C(C=C3)F 1 2.444 3 1 -3.82348611730263 2811495 CCCC1=CN=C(N=C1)N2CCN(CC2)C(=S)NC 1 2.344 5 0 -3.63086064543392 2811478 CCN(CC)C1=CC=C(C=C1)NC(=O)NC2=CC=CC3=CC=CC=C32 1 4.291 3 1 -9.23424210701173 2811470 C1=CC2=C(C=C1Cl)C(=CS2)CNC(=O)C3=NC=CN=C3C(=O)O 1 2.333 3 3 -11.2414554346526 2811467 C1=CC2=C(C=C1Cl)C(=CS2)CNC(=O)CSCC(=O)O 1 2.446 1 3 -13.5116454617494 2811466 C1=CC2=C(C=C1Cl)C(=CS2)CNC(=O)COCC(=O)O 1 1.701 1 4 0 -10.9450067092003 2811461 CC(C)C1=CC=C(C=C1)NNC(=O)C2CCC2 1 3.38 2 1 6.86239745307989e-002 2811458 CC1=C(SN=N1)C(=O)NNC2=CC=C(C=C2)C(C)C 1 2.95 4 1 -7.76998111272986 2811457 CC1=C(C(=NO1)C)C(=O)NNC2=CC=C(C=C2)C(C)C 1 2.713 3 2 -5.71422108523871 2811448 CC(C)(C)C1=CC=C(C=C1)SC2=C(N=CN2C)[N+](=O)[O-] 1 3.999 3 2 3.42250353457289 2811437 CC1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)F)F)C 1 1.99 4 1 0 -8.86959384197623 2811436 CC1=NN(C=C1NC(=O)NC2=C(C=CC(=C2)Cl)OC)C 1 2.103 4 2 -3.30666554500537 2811427 CN1C2=C(C(=CC=C2)OC)C(=N1)NC(=O)NC3=CC=CC=C3OC 1 2.878 4 3 0 -7.59352874221642 2811425 CN1C2=C(C(=CC=C2)OC)C(=N1)NC(=O)NC3=C(C=C(C=C3)F)F 1 3.306 4 2 -4.35554819437385 2811417 CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=NOC(=C3)C(C)(C)C 1 4.794 4 2 -9.47600517346612 2811414 CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 4.352 4 2 -3.7911910517476 2811411 CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)F)F 1 4.52 3 1 -3.24736290940342 2811392 COC1=CC=CC=C1CCNC(=O)C2=NC=CN=C2C(=O)O 1 1.111 3 4 0 -15.9560947905282 2811385 COCCOC(=O)C1=NC=CN=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -0.301 4 7 0 -28.4124842905457 2811372 CC1=CC(=CC(=C1)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C 1 3.433 3 3 -3.10378051081412 2811354 C1=CC(=CC=C1N2C=CC(=O)C(=N2)C3=NC(=NC=C3)N)Cl 1 2.434 5 1 -0.373405833001226 2811346 CC1=C(C=CC(=C1)Cl)NNC(=O)C2=CC=CS2 1 3.741 2 1 -2.68396527977911 2811345 CC1=C(C=CC(=C1)Cl)NNC(=O)C2=C(N=NS2)C 1 2.906 4 1 -7.49656651526598 2811344 CC1=C(C=CC(=C1)Cl)NNC(=O)C2=C(ON=C2C)C 1 2.669 3 2 -5.44080648777483 2811341 CC1=C(C=CC(=C1)Cl)NNC(=O)CCC2=CC=CC=C2 1 4.278 2 1 -4.96452012850869 2811332 CC1=C(C=C(C=C1)NNC(=O)C2=CC=NO2)Cl 1 2.533 3 2 -2.45650419026834 2811331 CC1=C(C=C(C=C1)NNC(=O)C2=CC=CS2)Cl 1 3.741 2 1 -3.07798351051833 2811330 CC1=C(C=C(C=C1)NNC(=O)C2=C(N=NS2)C)Cl 1 2.906 4 1 -7.89058474600519 2811329 CC1=C(C=C(C=C1)NNC(=O)C2=C(ON=C2C)C)Cl 1 2.669 3 2 -5.83482471851404 2811327 CCC1=CC=C(C=C1)C(=O)NNC2=CC(=C(C=C2)C)Cl 1 4.729 2 1 -1.28087278168322 2811325 CC1=C(C=C(C=C1)NNC(=O)C2=C(C=CC=C2Cl)F)Cl 1 4.657 2 1 -2.54878596936957 2811321 C1COCCN1CC2=NC(=NO2)C3=CC=CS3 1 1.128 3 2 0 -2.76461855618132 2811320 C1CN(CCC1C(=O)N)CC2=NC(=NO2)C3=CC=CS3 1 0.914 4 2 0 -1.4945867933122 2811317 COC(=O)C1=CN=C(N=C1C(F)(F)F)N2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.987 4 4 0 -13.651409310255 2811316 COC(=O)C1=CN=C(N=C1C(F)(F)F)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F 1 2.929 4 4 0 -10.5067520535662 2811308 C1COCCN1C2=CC=CC=C2OC(=O)C3=C(C=CS3)Br 1 3.813 1 3 -6.6933730668448 2811304 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CS3)Br 1 3.091 1 3 -9.14854747502283 2811301 C1=CSC(=C1)C2=NOC(=N2)CCC(=O)O 1 1.279 2 3 0 -9.19301488100376 2811300 C1CN(CC2=C1SC3=C2C(=O)NC=N3)CC4=CC=CC=C4 1 2.273 3 1 -9.88677221302295 2811299 CC(C)(C)C1=NN(C(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C 1 3.159 3 3 -10.4477644312401 2811297 COC1=CC=C(C=C1)OCCNC(=O)CCCO 1 0.887 1 4 0 -11.0712146514033 2811292 C1C(OC2=CC=CC=C2O1)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.162 1 5 -6.8841659294857 2811288 C1CN(CCC1C(=O)NC2=CC=C(C=C2)N3CCOCC3)C(=O)OCC4=CC=CC=C4 1 2.913 3 4 0 -3.44581028039656 2811267 CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC 1 4.093 3 2 -4.06070655148278 2811266 CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.959 4 2 -4.73611749365366 2811264 CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)F)C 1 4.801 3 1 -5.27388358832091 2811262 CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F 1 5.052 3 1 -5.19734550063446e-002 2811261 CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=NOC(=C3)C 1 3.248 4 2 -12.5462668464718 2811253 C1CN(CCN(C1)C(=O)COCC(=O)O)C2=NC=CC(=N2)C(F)(F)F 1 -1.8e-002 4 4 0 -4.14185092600301 2811248 C1CN(CCN1C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)C(=O)CSCC(=O)O 1 2.511 4 3 0 -8.29788264167905 2811247 CC1=CSC(=C1C2=NC3=CC=CC=C3S2)NC(=O)CSCC(=O)O 1 3.194 2 3 -7.7759647723225 2811244 CC1=CC(=C(N=C1)NC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)Br 1 4.713 3 2 -3.0970002397664 2811236 CC(C)(C)C1=C(C(=NN1C)C(C)(C)C)NC(=O)C2=CC=C(C=C2)OC 1 4.768 3 2 -3.9735959394517 2811235 CC(C)(C)C1=C(C(=NN1C)C(C)(C)C)NC(=O)C2=C(C=CS2)Cl 1 5.403 3 1 -5.10921552807518 2811226 CC(C)(C)C1=C(C(=NN1C)C(C)(C)C)NC(=O)C2=CC=CS2 1 4.738 3 1 -4.18857935465265 2811225 CC(C)(C)C1=C(C(=NN1C)C(C)(C)C)NC(=O)C2=CC=C(C=C2)F 1 4.99 3 1 -2.84875270484231 2811210 C1CC1C2=NN=C(S2)NC(=O)C3=C(SC(=C3)Cl)Cl 1 2.687 3 1 -6.49491797383592 2811209 C1=CC=C(C(=C1)C(F)(F)F)NNC(=O)C2=C(C=CS2)Br 1 4.281 2 1 -2.50613029070668 2811204 C1=CC=C(C(=C1)C(F)(F)F)NNC(=O)C2=CC=CS2 1 3.532 2 1 -3.98796800184783 2811190 CCOC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC3=C(COC3=O)C=C2 1 2.335 2 5 0 -11.8419010294823 2811174 COC1=C(C=C(C=C1)Cl)NC(=O)NCCN2CCNC2=O 1 0.807 4 3 0 -21.4955608333168 2811172 CC1=C(C=CC(=N1)C(F)(F)F)C(=O)NN2CCOCC2 1 0.942 3 2 0 -5.76284164545263 2811170 CC(C)(C)C1=NN(C(=C1)C(=O)NN2CCOCC2)C 1 1.209 4 2 0 -9.93188149819155 2811167 C1COCCN1C2=C(C=CC=N2)NC(=O)C3=CC=CS3 1 1.806 3 2 0 -7.62231076620748 2811138 CCCC1=CN=C(N=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OC 1 2.377 4 2 1.23764786869722 2811129 C1CN(CCN1C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)CSCC(=O)O 1 1.841 3 3 0 -6.19289202952078 2811128 CC(C)(CC(=O)N1CCN(CC1)C2=NC3=C(S2)C=CC(=C3)Cl)CC(=O)O 1 2.638 3 3 -3.93599127172454 2811112 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CS4)Br 1 3.254 2 3 -3.49943139367954 2811109 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CS4)Cl 1 3.17 2 3 -4.99391365432572 2811107 COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.968 1 4 -13.0565339149283 2811106 COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 4.425 1 4 -13.4110024290963 2811094 C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCC#N 1 1.142 4 2 0 -5.04145655216947 2811093 CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)[N+](=O)[O-])N 1 1.972 3 4 0 -2.99784066730706 2811089 CC1=NN(N=C1C(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4 1 2.688 4 3 0 -8.87032249001843 2811077 CC1=C(C(=NO1)C)NC(=O)NCCN2CCN(CC2)CC3=CC=CC=C3 1 1.508 5 2 0 -6.2511659127666 2811074 C1CN(CCN1CCNC(=O)NC2=CC(=CC(=C2)Cl)Cl)CC3=CC=CC=C3 1 3.954 4 1 -2.8070031107187 2811053 C1CN(CCC1C(=O)NC2=C(C=C(C=C2)N3CCOCC3)Cl)C(=O)OCC4=CC=CC=C4 1 3.577 3 4 0 -1.72019566013107 2811044 CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.673 2 2 -0.494809660282592 2811038 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COCC(=O)O 1 2.663 2 4 0.780000095658203 2811036 C1C(CC2=CC=CC=C21)NC(=O)CCCO 1 1.279 1 2 0 -8.17419472447807 2811032 C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3=CC4=CC=CC=C4C=C3 1 3.206 2 3 -4.25719555410341 2811030 CC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(COC3=O)C=C2)Cl 1 3.282 2 3 -6.00918654452004 2811023 C1=CSC(=C1)C(=O)NNC2=C(C=NC=C2Cl)Cl 1 2.768 3 1 -2.63735764380935 2811016 C1=CSC(=C1Cl)C(=O)NNC2=C(C=NC=C2Cl)Cl 1 3.433 3 1 -3.36479053841422 2811011 C1CC(C1)C(=O)NNC2=C(C=CC(=C2)Cl)Cl 1 3.515 2 1 1.23827147497493 2811009 C1=CSC(=C1)C(=O)NNC2=C(C=CC(=C2)Cl)Cl 1 3.919 2 1 -1.97602897113267 2811008 CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=NC=CN=C3C(=O)O 1 0.854 4 6 0 -16.2702984652535 2811005 CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)COCC(=O)O 1 0.222 2 7 0 -15.4785480227327 2810999 CC(C)C1=CC(=C(C(=C1)Br)NC(=O)NC2=CN=CC=C2)Br 1 4.063 3 1 -0.860397775015984 2810998 C1=CC(=CN=C1)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 3.492 3 2 -0.316371627534846 2810997 C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)NC3=CN=CC=C3 1 2.939 3 2 -3.94233627079663 2810995 C1=COC(=C1)CNC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 3.831 2 3 -3.95513144763337 2810990 C1COC2=C1C=C(C=C2)C(=O)NCC3=CC=CO3 1 1.861 1 3 0 -10.303079468777 2810980 CN1C=C(C(=N1)C2=CC(=CC=C2)N3C(=O)CCCC3=O)Br 1 2.791 3 2 0.640322690194668 2810979 CC1(CC(=O)N(C(=O)C1)C2=CC=CC(=C2)C3=NN(C=C3Br)C)C 1 3.249 3 2 0.54539808876768 2810970 C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)C(=C(N3)C(F)(F)F)C4=CC=CC=C4 1 3.2 3 1 -0.82215729401605 2810968 CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCC(CC3)C4=CC=CC=C4OC 1 3.8 3 2 -4.76649923344716 2810966 CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)NC3=CC=C(C=C3)F 1 2.945 3 3 -10.6825714088761 2810964 CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)NC(C)(C)C 1 2.094 3 3 -17.6008985355991 2810963 CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)NC3=CC=C(C=C3)C 1 3.226 3 3 -11.3944484343414 2810951 C1C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)F)F)C(=O)O1 1 2.634 1 3 -6.31359547699416 2810947 CC1=C(C(=NO1)C)C(=O)NNC2=C(C=CC(=C2)Cl)Cl 1 2.847 3 2 -4.54457358479458 2810946 CC1=CC(=NO1)C(=O)NNC2=C(C=CC(=C2)Cl)Cl 1 2.993 3 2 -5.62194599313415 2810945 CCCC1=CC=C(C=C1)C(=O)NNC2=C(C=CC(=C2)Cl)Cl 1 5.364 2 1 1.21613068301395 2810944 CCC1=CC=C(C=C1)C(=O)NNC2=C(C=CC(=C2)Cl)Cl 1 4.908 2 1 -0.178918242297565 2810943 C1C2=C(C=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)F)C(=O)O1 1 3.093 1 3 -9.55415404276403 2810941 C1C2=C(C=C(C=C2)NC(=O)C3=C(C=CS3)Cl)C(=O)O1 1 2.841 1 3 -9.72848817892327 2810938 C1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C(=O)O1 1 1.853 1 5 0 -10.0462707024837 2810933 C1=CC(=C(C(=C1)Cl)C(=O)NNC2=C(C=CC(=C2)Cl)Cl)F 1 4.835 2 1 -1.44683142998391 2810930 CSC1=C(C=CC=N1)C(=O)NNC2=C(C=CC(=C2)Cl)Cl 1 3.896 3 1 -6.67065274232007 2810927 COC1=CC=CC=C1OCC(CNCC2=CC3=C(C=C2)OCO3)O 1 2.24 1 5 -6.75722438650988 2810924 C1C(CC2=CC=CC=C21)NC(=O)C3=CC=CC=C3C(=O)O 1 2.675 1 3 -7.77528330757274 2810918 C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC=CC(=N4)C(F)(F)F 1 2.517 4 3 0 -2.8451663966057 2810913 C1COC2=C(O1)C=CC(=C2)N3C(=O)NN=C3SCCS(=O)(=O)C4=CC=C(C=C4)F 1 3.359 3 5 0 -17.7935099971793 2810911 CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NNC(=O)N2C3=CC4=C(C=C3)OCCO4 1 3.64 3 5 0 -18.5053870226446 2810906 COC1=CC=CC=C1N2C(=COC2=O)C3=CC=C(C=C3)F 1 2.958 1 3 0.155694292098323 2810904 CN1C(=NN=C1SCC(=O)C2=CC(=C(S2)Cl)Cl)C3=CC=CO3 1 4.136 3 2 -4.65726631802011 2810899 C1CS(=O)(=O)CC1NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.363 1 3 -6.85406677534289 2810896 CCCCC1=CC=C(C=C1)S(=O)(=O)NC2CCS(=O)(=O)C2 1 2.103 1 4 -14.1182524944589 2810894 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC2CCS(=O)(=O)C2)Cl 1 3.3e-002 2 5 0 -18.6879640406157 2810882 COC1=CC=CC=C1NC(=O)NCCN2CCNC2=O 1 0.142 4 3 0 -24.6460861929213 2810875 C1CN(C(=O)N1)CCNS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F 1 1.838 3 3 0 -16.4764754245369 2810872 C1CN(C(=O)N1)CCNS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O 1 -0.659 3 6 0 -18.4163856032177 2810871 C1CN(C(=O)N1)CCNS(=O)(=O)C2=CC(=C(C=C2)F)Cl 1 0.823 3 3 0 -17.6139003277282 2810866 CC1=C(C(=NO1)C)NC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 1.575 4 2 0 -3.91512632064519 2810842 CC(=O)NC1=CC(=CC=C1)OCCCNS(=O)(=O)C2=CC(=CC=C2)Cl 1 2.22 2 4 -9.07706576010825 2810840 CC(=O)NC1=CC(=CC=C1)OCCCNC(=O)C2=CC=C(C=C2)OC 1 1.836 2 4 0 -11.2355213498181 2810839 CC(=O)NC1=CC(=CC=C1)OCCCNC(=O)C2=CC=C(C=C2)F 1 2.058 2 3 -10.0910861004905 2810838 CC(=O)NC1=CC(=CC=C1)OCCCNC(=O)C2CCC2 1 1.402 2 3 0 -11.2716726977651 2810836 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCCCOC3=CC=C(C=C3)NC(=O)C 1 2.399 3 4 0 -14.3942991688655 2810828 C1CN(CCN(C1)C(=O)CSCC(=O)O)C2=NC=CC(=N2)C(F)(F)F 1 0.727 4 3 0 -6.56092779421159 2810818 CCOC(=O)C1=C(C=CC(=C1)NC(=O)CC(C)(C)CC(=O)O)N2CCCCC2 1 2.993 2 5 0 -10.4086690478749 2810816 CCOC(=O)C1=C(C=CC(=C1)NC(=O)CCC(=O)O)N2CCCCC2 1 2.079 2 5 0 -12.8451250310949 2810807 CC(C)(CC(=O)NC1=CC=CC(=C1)C2=NN(C=C2Br)C)CC(=O)O 1 3.055 3 3 0.578367292554388 2810804 CN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)CCC(=O)O)Br 1 2.14 3 3 -1.85808869066562 2810801 CN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)CCCC(=O)O)Br 1 2.597 3 3 -4.84499142755235 2810789 CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)N(CC3=CC=CC=C3)CC4=CN=CC=C4 1 3.837 4 1 -4.3872085596552 2810788 CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCSCC3=CC(=CC=C3)C(F)(F)F 1 4.755 3 1 -3.03118371212751 2810778 CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCSCC3=C(C=CC=C3Cl)F 1 4.682 3 1 -8.49167981083735 2810772 CC1=CC(=NO1)C(=O)NC2=NN(C3=C2C(=CC=C3)OC)C 1 2.015 4 3 0 -11.3278568742623 2810764 CC1=CC(=NO1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 2.435 3 3 -9.27602036624264 2810763 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=CC=C3 1 3.109 2 3 -1.30035975289275 2810761 CC1=C(C(=NO1)C)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 1.992 3 4 0 -1.92208358718536 2810760 CN1C=C(N=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 1.742 4 3 0 -0.99256183146909 2810744 C1=CC(=C(C=C1C2=CSC(=N2)NC(=O)NC3=C(C=C(C=C3)F)F)F)F 1 4.289 3 1 1.85485780095827 2810742 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F 1 3.939 3 3 1.16507247056223 2810741 C1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F 1 3.878 3 1 3.24075050905738 2810737 CC1=C2C(=C(SC2=NC(=N1)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F)N 1 4.169 3 1 2.28812292742825 2810732 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NCCN2CCNC2=O)Cl 1 -0.262 4 4 0 -23.7000087234265 2810730 COC1=C(C=C(C=C1)S(=O)(=O)NCCN2CCNC2=O)OC 1 -7.9e-002 3 5 0 -23.7917325971256 2810725 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCCN3CCNC3=O 1 1.667 4 3 0 -27.6957671540316 2810723 CC1=CC=C(C=C1)S(=O)(=O)NCCN2CCNC2=O 1 0.44 3 3 0 -18.3071566105652 2810721 CC1=CC=C(C=C1)C(=O)NCCN2CCNC2=O 1 0.737 3 2 0 -20.5605706693376 2810708 C1CN(CCN1CCS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=N3 1 3.841 3 2 -0.131537498006739 2810707 C1CN(C=CC(=N1)C(F)(F)F)CCS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.721 2 2 -2.84971956844396 2810705 CC1=CC=C(C=C1)S(=O)(=O)CCN2CCN(CC2)C3=CC=CC=N3 1 2.998 3 2 -3.66294935163853 2810704 CC1=CC=C(C=C1)S(=O)(=O)CCN2CCN=C(C=C2)C(F)(F)F 1 2.878 2 2 -6.38113142207575 2810703 COCC1=CC(=O)N=C(N1)SCC(=O)N2CCOCC2 1 -0.559 3 4 0 -20.1814305172896 2810700 COCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=CC=C2 1 1.744 2 3 0 -12.71840408465 2810697 CN1C(=C(C(=N1)C(F)(F)F)C2=CC(=CC=C2)C(F)(F)F)NC(=O)NC3=CC=C(C=C3)F 1 5.334 4 1 3.14260651976359 2810695 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)F)NC(=O)NC3=CC=C(C=C3)F 1 4.597 4 1 -2.70345767068459e-002 2810689 COC1=C(C=C(C=C1)C(=O)NC2CCN(CC2)CC3=C(C=CC=C3Cl)F)OC 1 3.569 2 3 -10.7409136801344 2810685 CN1C=C(N=C1)S(=O)(=O)NC2CCN(CC2)CC3=C(C=CC=C3Cl)F 1 1.937 4 2 0 -6.43555753679562 2810683 CC(C)(CC(=O)NCC1=C(C=CC=C1Cl)OC2=CC=CC=C2)CC(=O)O 1 3.941 1 4 -10.0190070857702 2810682 CC1=NC=C(N=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 0.994 5 1 0 -4.89665161647491 2810676 C1=CC=C(C=C1)CNC(=O)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F 1 2.75 3 2 -9.62624032391596 2810669 CCOC(=O)CC1=C(NN(C1=O)C2=CC=CC=C2)C 1 1.211 2 3 0 -9.96648641583651 2810660 C1CN(CCC1CNC(=O)NC2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC=CC=C3 1 2.673 3 3 -18.7445618729059 2810658 C1CN(CCC1CNC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.262 3 3 -18.3770762865562 2810657 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.323 3 5 0 -18.1233299747182 2810656 C1CN(CCC1CNC(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 2.467 3 3 -17.2155136606694 2810651 CC1=CC(=NO1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.242 2 5 0 -15.5903400703995 2810650 CC1=CC=CC=C1NC(=O)NCC2CCN(CC2)C(=O)OC(C)(C)C 1 2.955 3 3 -13.5714627861254 2810645 CC1=NC(=CN1C)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 0.996 3 4 0 -4.3457237990058 2810642 C1CCN(CC1)CCNC(=O)C2=CC=C(O2)OC3=CC(=CC(=C3)Cl)Cl 1 4.502 2 3 -6.84251657018059 2810635 C1CS(=O)(=O)CCN1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 2.104 2 3 -6.80546562692328 2810628 CC1=CN(C2=CC=CC=C12)CCC(=O)NC3=CC=CC=C3N4CCOCC4 1 3.55 3 2 -9.93932546756979 2810627 CC1=CN(C2=CC=CC=C12)CCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.55 3 2 -8.32457390363832 2810624 CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)N(CC3=CC=CC=C3)CC4=CC=CS4 1 5.187 3 1 -3.58921489135404 2810622 CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NCCSCC3=CC=C(C=C3)F 1 4.477 3 1 -3.79357450953857 2810621 CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NCCSCC3=CC(=CC=C3)C(F)(F)F 1 5.214 3 1 -1.6422883809431 2810620 CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NCCSCC3=C(C=CC=C3Cl)F 1 5.141 3 1 -7.67420909084627 2810615 COCC1=CC(=O)N=C(N1)SCCS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.991 2 4 -15.842376011773 2810614 CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NC(=O)C=C(N2)COC 1 2.149 2 4 -19.3737878654048 2810612 C1CN(CCN1CCS(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3 1 2.718 3 2 -2.95107232617328 2810611 C1CN(C=CC(=N1)C(F)(F)F)CCS(=O)(=O)C2=CC=C(C=C2)F 1 2.598 2 2 -5.94802806267334 2810610 C1=CC=C(C(=C1)C(=O)O)SCCS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.505 0 4 -8.77402025351874 2810608 CCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=C2)C 1 4.503 2 2 -3.93155922048641 2810604 CC1=CC(=NC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC3 1 2.25 2 3 -4.63523162939355 2810598 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC3 1 2.359 1 4 -3.34987781514934 2810596 C1COC2=C1C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl 1 3.04 1 3 -1.11491291541838 2810595 C1COC2=C1C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 2.376 1 3 -3.09356574437854 2810594 CC1=C(C=C(O1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=C(C=C3)F 1 1.771 2 4 0 -9.90794068331015 2810593 CC1=C(C=C(O1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=CC=C3 1 1.566 2 4 0 -10.7764718471488 2810591 CC1=C(C=C(O1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=C(C=C3)OC 1 1.55 2 5 0 -11.0327839179195 2810589 CC1=C(C=C(O1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC=C(C=C3)F 1 0.998 2 5 0 -12.220591918928 2810588 CC1=C(C=C(O1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC=C(C=C3)Cl 1 1.457 2 5 0 -11.1104702538064 2810585 CC1=C(C=C(O1)S(=O)(=O)N(C)C)C(=O)NC2=CC=C(C=C2)Cl 1 1.769 2 4 0 -4.75676665545545 2810581 CC(C)(C)C1=CC=CC=C1NC(=O)NC2CCN(CC2)CC3=C(C=CC=C3Cl)F 1 4.91 3 1 -8.28836986445478 2810580 C1CN(CCC1NC(=O)NC2=CC=C(C=C2)F)CC3=C(C=CC=C3Cl)F 1 3.715 3 1 -5.67660269755285 2810578 C1CN(CCC1NC(=O)NC2=C(C=C(C=C2)F)F)CC3=C(C=CC=C3Cl)F 1 3.921 3 1 -7.26771060888094 2810577 C1CN(CCC1NC(=O)NC2=CC=CC=C2)CC3=C(C=CC=C3Cl)F 1 3.51 3 1 -6.11905003152826 2810569 C1=CSC(=C1)C(=O)C2=NC=CN2 1 1.481 2 1 0 -4.49033422779566 2810563 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)O 1 -0.395 4 6 0 -24.7725546521257 2810542 CC(=O)NC1=CC=CC(=C1)N2N=C(N=N2)SCC(=O)C3=CC=C(C=C3)OC 1 2.884 5 3 0 -8.19845492368248 2810538 CC(=O)NC1=CC=CC(=C1)N2N=C(N=N2)SCC(=O)N 1 0.498 6 2 0 -11.5124980154008 2810536 CC(=O)NC1=CC=CC(=C1)N2N=C(N=N2)SCC(=O)NC3=CC(=C(C=C3)F)Cl 1 3.151 6 2 0 -10.5071125207079 2810535 CC(=O)NC1=CC=CC(=C1)N2N=C(N=N2)SCC(=O)C3=CC=CC=C3 1 2.901 5 2 0 -8.67853050857247 2810533 CC(=O)NC1=CC=CC(=C1)N2N=C(N=N2)SCC(=O)N(C)C3=CC=CC=C3 1 2.487 6 2 0 -13.3079463316193 2810529 CC(=O)NC1=CC=CC(=C1)N2N=C(N=N2)SCC(=O)NC3=CC=CC=C3 1 2.281 6 2 0 -12.8167476450821 2810520 C1COC2=C1C=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)F 1 3.408 2 2 7.03110923555629 2810519 C1COC2=C1C=C(C=C2)C3=NC(=NO3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F 1 5.088 2 2 7.22276443370888 2810518 CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)C3=CC4=C(C=C3)OCC4 1 4.603 2 2 8.89736635920234 2810513 C1C(=O)N(CC(=O)N1C2=CC(=CC(=C2)Cl)Cl)NC(=O)C3=C(C=CS3)Cl 1 2.888 3 3 -8.89634478944769 2810510 C1C(=O)N(CC(=O)N1C2=CC(=CC(=C2)Cl)Cl)NC(=O)C3=CC=CS3 1 2.223 3 3 -8.05536623059013 2810509 CC1=C(C(=NC(=N1)C2=CC=CC=N2)SCC(=O)C3=CC=C(C=C3)OC)Cl 1 4.216 3 2 -1.19866459033328 2810508 CC1=C(C(=NC(=N1)C2=CC=CC=N2)SCC(=O)N3CCOCC3)Cl 1 1.93 4 2 0 -8.96893846432001 2810507 CC1=C(C(=NC(=N1)C2=CC=CC=N2)SCC(=O)C3=CC=C(C=C3)F)Cl 1 4.438 3 1 -7.38213557238921e-002 2810506 CC1=C(C(=NC(=N1)C2=CC=CC=N2)SCC(=O)C3=CC=CC=C3)Cl 1 4.232 3 1 -1.74975894571089 2810500 CC1=C(C=CC(=C1)C(C)(C)C)NC(=O)CC(C)(C)CC(=O)O 1 3.596 1 3 -6.89431955500404 2810445 C1=CC=C2C(=C1)C(=O)C(C2=O)(NC(=O)C3=C(C=CC=C3Cl)Cl)O 1 3.114 1 4 -4.23388952876718 2810452 CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SC3CC4=CC=CC=C4C3=O)C 1 4.725 4 1 -7.52932613029014 2810453 CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)C3=CC4=CC=CC=C4O3)C 1 5.109 4 2 -11.1654435796639 2810484 CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)NC2=C(C=CC(=C2)Cl)OC 1 3.117 3 4 0 -11.3169164494488 2810482 CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)NC2=CC=CC=C2 1 2.469 3 3 -10.0361853235774 2810476 CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)NCC3CCN(CC3)C(=O)OC(C)(C)C 1 3.005 3 4 0 -8.6545281993669 2810470 CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C2=CC=CC=C2 1 2.561 2 3 -12.2976950701765 2810469 CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C2=CC=CS2 1 2.514 2 3 -12.8758265664995 2810467 CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C2=C(C=C(C=C2)F)F 1 2.972 2 3 -10.0201007442185 2810466 CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C2=CC=C(C=C2)F 1 2.766 2 3 -10.7901704772019 2810464 C1CN(CCN1CCC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)F)F 1 3.425 3 1 -0.413377611211178 2810462 C1CN(CCN1CCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F 1 3.219 3 1 -0.237213726485192 2810461 COC1=CC=CC=C1NC(=O)N2CCN(CC2)CCC3=CC=CC=C3 1 2.997 3 2 -4.42357299393664 2810429 C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)C(F)(F)F 1 5.247 1 1 -1.18618013552401 2810418 C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)C(=O)O 1 3.935 1 3 -5.30119607430481 2810416 C1=CC(=C(C=C1NC(=O)CSCC(=O)O)C(F)(F)F)Br 1 2.603 1 3 -9.69052489581209 2810413 CC1=C(C=C(O1)S(=O)(=O)N2CCCCC2)NC(=O)NC3=CC=CC=C3 1 1.93 3 4 0 -11.4531614340616 2810412 CC1=C(C=C(O1)S(=O)(=O)N2CCCCC2)NC(=O)NC3=CC=C(C=C3)F 1 2.136 3 4 0 -10.584630270223 2810411 CC1=C(C=C(O1)S(=O)(=O)N2CCCCC2)NC(=O)NC3=CC=C(C=C3)Cl 1 2.595 3 4 0 -9.47450860510142 2810408 COC1=CC(=CC(=C1OC)OC)CN2CCCN(C2)CC3=CC(=C(C(=C3)OC)OC)OC 1 3.39 2 6 0 -2.54547568485762 2810398 CC(C)(CC(=O)N1CCCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl)CC(=O)O 1 2.7 3 3 -1.82281266704861 2810397 C1CN(CCN(C1)C(=O)CSCC(=O)O)C2=NC3=C(S2)C=C(C=C3)Cl 1 1.904 3 3 0 -4.07971342484486 2810396 C1CN(CCN(C1)C(=O)COCC(=O)O)C2=NC3=C(S2)C=C(C=C3)Cl 1 1.159 3 4 0 -1.66063655663627 2810394 CC1=CC=C(N1C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C 1 2.741 3 3 -5.50229167288632 2810391 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3F 1 2.606 1 3 -9.88435550123574 2810390 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CS3 1 2.353 1 3 -9.07445973358452 2810389 C1=CC(=CC=C1C2=CC(=C(O2)C(F)(F)F)C(=O)NCC3=CC=NC=C3)Cl 1 4.282 2 2 1.6597017611736 2810388 C1=CC(=CN=C1)CNC(=O)C2=C(OC(=C2)C3=CC=C(C=C3)Cl)C(F)(F)F 1 4.282 2 2 -0.339183188459674 2810387 C1=CC=NC(=C1)CNC(=O)C2=C(OC(=C2)C3=CC=C(C=C3)Cl)C(F)(F)F 1 4.497 2 2 -2.10473814981351e-002 2810385 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=CC=C3F)F 1 2.811 1 3 -10.0513382295568 2810384 CC1=NC(=CN1CC(C2=CC=C(C=C2)C3=CC=CC=C3)O)[N+](=O)[O-] 1 3.208 3 3 0.853870445657536 2810383 CC1=CC=C(C=C1)C(CN2C=C(N=C2C)[N+](=O)[O-])O 1 2.176 3 3 -2.49732255067396 2810379 CC1=C(C=C(C=C1)C(=O)NC2(C(=O)C3=CC=CC=C3C2=O)O)C 1 2.757 1 4 -5.18100355153612 2810368 C1CN(CCN1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 2.595 2 2 -9.24150847682362 2810366 CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3)CCC4=CC=CC=C4 1 3.55 3 2 -4.81588037984241 2810354 CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)N3CCCN(CC3)CCC4=CC=CC=C4 1 3.612 3 2 -4.80794059641558 2810343 C1CC(C1)OC2=CC=CC=C2C(=O)N 1 1.761 1 2 0 -6.08949667708693 2810325 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=CC=CC=C4S3 1 3.415 3 1 2.72510537572979 2810323 CN1C(=CC=C1S(=O)(=O)N2CCCCCC2)C(=O)O 1 1.665 2 4 0 -9.75430827126488 2810320 CN1C(=CC=C1S(=O)(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)O 1 3.459 2 4 -5.78916958260348 2810318 CN1C(=CC=C1S(=O)(=O)NCCC2=CC=CC=C2OC)C(=O)O 1 1.974 2 5 0 -8.59362703661628 2810317 CN1C(=CC=C1S(=O)(=O)NCC2=CC=C(C=C2)OC)C(=O)OC 1 1.879 2 5 0 -3.67670725603387 2810316 CN1C(=CC=C1S(=O)(=O)NCC2=CC=CC=C2)C(=O)OC 1 1.895 2 4 0 -4.24732880057877 2810314 CC(C)(C)NS(=O)(=O)C1=CC=C(N1C)C(=O)OC 1 1.243 2 4 0 -9.64146526789864 2810313 CN1C(=CC=C1S(=O)(=O)N(CCO)CC2=CC=CC=C2)C(=O)OC 1 1.562 2 5 0 -6.18968897678363 2810312 CN1C(=CC=C1S(=O)(=O)NCC2=CC=CO2)C(=O)OC 1 1.077 2 5 0 -6.81425635668346 2810310 CN1C(=CC=C1S(=O)(=O)N(C2CCCCC2)C3CCCCC3)C(=O)OC 1 4.234 2 4 -5.79647802673361 2810309 CN1C(=CC=C1S(=O)(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC 1 3.684 2 4 -6.87754410869116 2810307 CN1C(=CC=C1S(=O)(=O)NCCC2=CC=CC=C2OC)C(=O)OC 1 2.2 2 5 0 -9.51322871379453 2810302 CC1=CSC(=C1NC(=O)CC2C(=O)NCCN2)C(=O)OC 1 -2.3e-002 3 4 0 -21.0485067151962 2810297 CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)COCC(=O)O 1 3.187 1 6 0 -7.01324114320613 2810296 CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)C3=CC=CC=C3C(=O)O 1 5.263 1 5 -5.24054368566648 2810295 CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)CCC(=O)O 1 3.814 1 5 -8.74362459560102 2810292 CC1=C(C(=C(O1)C)S(=O)(=O)NCC2=CC=C(C=C2)Cl)C(=O)OC 1 2.239 1 5 -4.48339893924342 2810291 CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)CSCC(=O)O 1 3.932 1 5 -9.7201823019512 2810279 CCOC(=O)N1CCC2(CC1)C3=C(CCN2)C4=CC=CC=C4N3 1 2.245 3 2 -6.52382630288001 2810278 C1=CC=C(C=C1)CC2=CC(=NN(C2=O)CCC(=O)O)C3=CC=C(C=C3)F 1 3.523 2 3 -6.53735182627301 2810255 COC1=CC=C(C=C1)C2=NC(=NC=C2)C3=CC=NC=C3 1 2.451 3 1 4.88659031445572 2810253 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)F)NC(=O)C3=CN=CC=C3 1 3.333 4 1 -2.67449889909528 2810252 CN1C(=C(C(=N1)C(F)(F)F)C2=CC(=CC=C2)C(F)(F)F)NC(=O)C3=CN=CC=C3 1 4.069 4 1 -0.861674330769593 2810251 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)OC)NC(=O)C3=CN=CC=C3 1 3.111 4 2 -3.52056846764183 2810250 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)Br)NC(=O)C3=CN=CC=C3 1 3.876 4 1 -2.74226331301231 2810249 CN1C2=C(C(=CC=C2)F)C(=N1)NC(=O)CC34CC5CC(C3)CC(C5)C4 1 4.135 3 1 -4.44100282300891 2810230 C1CC(C1)C(=O)NC2=NC3=C(C=C(C=C3C(=O)S2)Br)Br 1 4.525 2 2 -0.338577563018633 2810229 C1CC(C1)C(=O)NC2=NC3=C(C(=O)S2)SC=C3 1 2.982 2 2 -9.73879787608549 2810212 CC(C)(C)C1=CSC(=N1)NNC(=O)C2=CC=C(C=C2)Cl 1 3.49 3 1 -0.455169486737637 2810200 CN1C(=CC=C1S(=O)(=O)N2CCCN(CC2)CC3=C(C(=CC=C3)Br)F)C(=O)OC 1 3.074 3 4 0 -8.11065598019445 2810191 CN1C(=CC=C1S(=O)(=O)NCC2=CC=CC=N2)C(=O)OC 1 0.96 3 4 0 -6.35672090311834 2810189 CN1C(=CC=C1S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)F)C(=O)OC 1 2.326 3 4 0 -7.65898610202238 2810188 CN1C(=CC=C1S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3)C(=O)OC 1 2.121 3 4 0 -9.18567803226723 2810186 CN1C(=CC=C1S(=O)(=O)N2CCC(CC2)O)C(=O)OC 1 -5.e-002 2 5 0 -9.98936081888373 2810166 COC1=CC=C(C=C1)C2=NNC(=O)C=C2 1 1.431 2 2 0 -2.72842839442118 2810161 CCN1C(=CC(=N1)C)C(=O)OCC(=O)C2=CC=C(C=C2)Cl 1 3.178 2 3 -12.8909164573372 2810160 COC1=C(C=C(C=C1)C2CC(=O)C3=CC(=C(C=C23)OC)OC)OC 1 3.113 0 5 -8.42485929632951 2810159 COC1=C(C=C2C(=O)CC(C2=C1)C3=CC=CC=C3)OC 1 3.146 0 3 -6.39921142223703 2810155 CC1=CC=CC=C1C(=O)NC2=NC3=C(C(=O)S2)SC=C3C 1 4.404 2 2 -11.1919706581128 2810154 CC1=CSC2=C1N=C(SC2=O)NC(=O)C3=CC=C(C=C3)F 1 4.124 2 2 -7.50956119110742 2810153 C1=CC(=CC=C1C(=O)NC2=NC3=C(C(=O)S2)SC=C3)F 1 3.638 2 2 -13.163406470001 2810152 COC1=C(C=C2C(=C1)C(=O)SC(=N2)NC(=O)C3=C(C=C(C=C3)F)Cl)OC 1 4.316 2 4 -7.48082914175317 2810151 C1=CC=C2C(=C1)C(=O)SC(=N2)NC(=O)C3=C(C=C(C=C3)F)Cl 1 4.349 2 2 -6.3307017639463 2810150 CC1=CSC2=C1N=C(SC2=O)NC(=O)C3=C(C=C(C=C3)F)Cl 1 4.788 2 2 -5.08367783487809 2810149 C1=CC(=C(C=C1F)Cl)C(=O)NC2=NC3=C(C(=O)S2)SC=C3 1 4.302 2 2 -10.7375231137717 2810145 COC1=C(C=C2C(=C1)C(=O)SC(=N2)NC(=O)C3=CC=C(C=C3)Cl)OC 1 4.11 2 4 -8.65675292863929 2810142 C1=CC(=CC=C1C(=O)NC2=NC3=C(C(=O)S2)SC=C3)Cl 1 4.096 2 2 -12.0532848048794 2810138 C1CN(CCN1C2=CC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)COCC(=O)O 1 1.984 3 4 0 -2.27001322443325 2810137 CCCCC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=CC=CC=C43)C)C 1 5.591 4 1 -1.74245359516996 2810136 CC(C)(CC(=O)N1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C(F)(F)F)CC(=O)O 1 3.525 3 3 -2.58559716977106 2810133 C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)CSCC(=O)O 1 2.022 3 3 -5.86355226666602 2810132 CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)NC4=C(C=C(C=C4)F)F 1 3.661 4 1 1.83742577677114 2810122 COC1=CC=C(C=C1)C2=C(NN3C2=NC(=CC3=O)C4=CC=CC=C4)C(F)(F)F 1 3.184 3 2 0.429799013915726 2810116 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)Br)NC(=O)NC3=C(C=C(C=C3)F)F 1 5.345 4 1 -0.364424901240436 2810114 CN1C(=C(C(=N1)C(F)(F)F)C2=CC(=CC=C2)C(F)(F)F)NC(=O)C3=NC=CN=C3C(=O)O 1 3.406 5 3 0 -3.2119355154384 2810112 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)Br)NC(=O)C3=NC=CN=C3C(=O)O 1 3.212 5 3 0 -5.18991872420589 2810111 CCOC(=O)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)F)CC3=CC=CC=C3 1 3.849 2 3 -4.44692146893648 2810110 CCOC(=O)N1CCN(CC1)C2=CC(=O)N(C(=O)N2C)C 1 0.357 4 4 0 -8.77443358081593 2810109 CC1=CC(=NC(=C1C#N)OCC(=O)NC2=CC=CC=C2)C 1 2.486 3 2 -10.0245133762406 2810105 C1=CSC(=C1)CC2=CC(=NNC2=O)C3=CC=C(C=C3)F 1 3.119 2 1 -4.10302178719972 2810104 C1=CC=C(C=C1)CC2=CC(=NNC2=O)C3=CC=C(C=C3)F 1 3.587 2 1 -2.98931778093475 2810102 C1=CC=C2C(=C1)C(=CN2)C(C3=CC=CC=N3)O 1 2.302 2 1 1.12682166780156e-002 2810094 CC1=CC(=CC=C1)CN2C(=CC(=N2)C(C)(C)C)C(=O)NC3=CC=C(C=C3)F 1 5.66 3 1 -4.567176761476 2810086 COC(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC(=CC=C2)Cl)N3CCOCC3 1 2.687 2 5 0 -5.7217835704429 2810085 CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC 1 3.217 2 5 0 -6.36258231242175 2810084 CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)NC3=CC(=C(C=C3)N4CCOCC4)C(=O)OC 1 3.417 2 5 0 -9.18313066855116 2810081 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)N4CCOCC4)C(=O)OC 1 2.866 3 5 0 -12.9121116488478 2810080 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=CC(=C(C=C3)N4CCOCC4)C(=O)OC 1 4.195 3 5 0 -17.2662834771257 2810079 COC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(OC(=C2)C3=CC=C(C=C3)Cl)C(F)(F)F)N4CCOCC4 1 5.131 2 5 0 1.00940064368192 2810078 COC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(OC(=C2)C3=CC=C(C=C3)C(F)(F)F)C(F)(F)F)N4CCOCC4 1 5.409 2 5 0 1.43604957054781 2810077 COC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(OC(=C2)C3=CC=CC=C3Cl)C(F)(F)F)N4CCOCC4 1 5.131 2 5 0 0.140544213624112 2810076 COC1=CC=C(C=C1)C2=CC(=C(O2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)N4CCOCC4)C(=O)OC 1 4.45 2 6 0 -1.0567914071396 2810073 CC1=CSC2=C1N=C(SC2=O)NC(=O)C3=CC=CS3 1 3.872 2 2 -8.72880820215558 2810066 COC1=C(C=C2C(=C1)C(=O)SC(=N2)NC(=O)C3=CC=CC=C3)OC 1 3.446 2 4 -11.2743991867355 2810065 C1=COC(=C1)C(=O)NC2=NC3=C(C=C(C=C3C(=O)S2)Br)Br 1 4.371 2 3 -3.49377686719453 2810064 COC1=C(C=C2C(=C1)C(=O)SC(=N2)NC(=O)C3=CC=CO3)OC 1 2.841 2 5 0 -9.57289922103931 2810063 C1=CC=C2C(=C1)C(=O)SC(=N2)NC(=O)C3=CC=CO3 1 2.874 2 3 -8.66000397397886 2810062 CC1=CSC2=C1N=C(SC2=O)NC(=O)C3=CC=CO3 1 3.313 2 3 -7.31558581838587 2810061 C1=COC(=C1)C(=O)NC2=NC3=C(C(=O)S2)SC=C3 1 2.827 2 3 -12.9694310972795 2810028 C1=CC(=CC=C1C2=NOC(=N2)CNC(=O)NC3=CC(=CC(=C3)Cl)Cl)C(F)(F)F 1 4.384 4 2 4.88981805452335 2810027 C1=CC(=CC=C1C2=NOC(=N2)CNC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C(F)(F)F 1 5.175 4 3 0 5.75312182726356 2810026 COC1=CC=CC=C1NC(=O)NCC2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F 1 3.039 4 3 0 -0.771954636042307 2810025 C1=CC(=CC=C1C2=NOC(=N2)CNC(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F 1 3.466 4 2 2.79105408360791 2810022 C1CN(CCN1CC(=O)N2CCN(CC2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 4.368 4 1 -7.36842496629731 2810020 CCN1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 1.467 6 1 0 -18.9064678895886 2810019 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.81 4 1 -2.40577441951906 2810018 COC1=CC(=CC=C1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.25 2 2 -3.1275683523709 2810017 COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.939 4 2 -4.26016915601606 2810012 CC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)C 1 1.029 4 4 0 -8.08249296142064 2809999 C1CN(CCN1C(=O)CSCC(=O)O)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl 1 1.455 2 5 0 -21.6558874739644 2809998 CC1=C(C(=C(O1)C)S(=O)(=O)NC2=CC=C(C=C2)C(C)C)C(=O)OC 1 2.762 1 5 -4.29663988687882 2809997 CC1=C(C(=C(O1)C)S(=O)(=O)NCC2=C(C=C(C=C2)Cl)Cl)C(=O)OC 1 2.903 1 5 -5.78066332166542 2809995 CC1=C(C(=C(O1)C)S(=O)(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC 1 3.187 1 5 -12.1449431789026 2809994 CC1=C(C(=C(O1)C)S(=O)(=O)NCC2CC2)C(=O)OC 1 0.811 1 5 0 -10.7400898836332 2809993 CCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(OC(=C2C(=O)OC)C)C 1 2.966 1 5 -3.42448879399803 2809992 CC1=C(C(=C(O1)C)S(=O)(=O)NCC2=CC=C(C=C2)OC)C(=O)OC 1 1.558 1 6 0 -6.54959099006494 2809986 C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)NC4=CC=C(C=C4)OC(F)(F)F 1 5.752 4 2 3.33192956715478 2809985 C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)NC4=CC=C(C=C4)C(F)(F)F 1 4.574 4 1 4.23629380694085 2809984 CC1=C(C=C(C=C1)F)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl 1 4.323 4 1 -0.204182376870545 2809983 CCCCNC(=O)N1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl 1 3.384 4 1 -5.65080853482385 2809982 COC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl 1 3.615 4 2 -2.66554232536524 2809981 C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)NC4=C(C=CC(=C4)F)F 1 4.043 4 1 1.23308985927127 2809980 CC1=C(C(=CC=C1)Cl)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl 1 4.782 4 1 0.208506635399414 2809979 C1CN(CCN(C1)C(=O)C2=C(C=C(C=C2)F)F)C3=NC(=NS3)C4=CC=CC=C4 1 3.216 4 1 3.57098026666379 2809978 C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)F)C3=NC(=NS3)C4=CC=CC=C4 1 3.011 4 1 1.73607944859411 2809977 C1CN(CCN1C2=CC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)CSCC(=O)O 1 2.728 3 3 -4.68909009264184 2809969 CC(C)(CC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl)CC(=O)O 1 2.638 3 3 -1.56200038201345 2809964 CC1=CC(=C(C=C1)OCC(CNCC2=CC=C(C=C2)OC)O)[N+](=O)[O-] 1 2.853 2 5 0 -3.69268053718508 2809958 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)F)NC(=O)CSCC(=O)O 1 2.782 3 3 -6.58894488118237 2809957 CN1C(=C(C(=N1)C(F)(F)F)C2=CC(=CC=C2)C(F)(F)F)NC(=O)CSCC(=O)O 1 3.519 3 3 -4.67872608633191 2809956 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)OC)NC(=O)CSCC(=O)O 1 2.56 3 4 0 -7.43501444972893 2809955 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)Br)NC(=O)CSCC(=O)O 1 3.325 3 3 -6.6567092950994 2809950 CC1=CN(C2=CC=CC=C12)CCC(=O)NC3=CC=C(C=C3)OC 1 3.683 2 2 -7.64916296146743 2809944 COC1=CC2=C(C=C1)NC(=C2)C(=O)NCCCN3C=CN=C3 1 1.41 4 2 0 1.78657279977132 2809943 COC1=CC2=C(C=C1)NC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.958 2 4 -1.29162053742642 2809942 CC1=CC=C(N1C2=NN(C3=C2C(=CC=C3)F)S(=O)(=O)C4=CC(=C(C=C4)OC)OC)C 1 4.71 3 4 0 -12.5187571925783 2809941 CC1=CC=C(N1C2=NN(C3=C2C(=CC=C3)F)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C 1 5.685 3 2 -4.80625798449755 2809939 CC1=CC=C(N1C2=NN(C3=C2C(=CC=C3)F)S(=O)(=O)C4=CC=CC=C4)C 1 4.742 3 2 -8.09557193816894 2809938 CC1=CC=C(N1C2=NN(C3=C2C(=CC=C3)F)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)C 1 4.929 4 2 -10.5639285461344 2809937 CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)N3C4=C(C(=CC=C4)F)C(=N3)N5C(=CC=C5C)C 1 6.137 3 2 -8.5656099265368 2809933 CN1C(=CC=C1S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC 1 3.67 3 4 0 -16.7657417796552 2809932 CN1C(=CC=C1S(=O)(=O)N2CCN(CC2)CCO)C(=O)OC 1 -6.5e-002 3 5 0 -9.4576846261758 2809931 CN1C(=CC=C1S(=O)(=O)N2CCCCCC2)C(=O)OC 1 1.891 2 4 0 -10.8426827973526 2809930 CN1CCN(CC1)S(=O)(=O)C2=CC=C(N2C)C(=O)OC 1 0.475 3 4 0 -10.2695492410008 2809929 CN1C(=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)N)C(=O)OC 1 -8.e-003 3 5 0 -10.7664799304468 2809909 CC1=CSC2=C1C(=O)SC(=N2)NC(=O)C3=CC=CC=C3 1 3.751 2 2 -9.58692776041324 2809908 COC(=O)C1=C(C=CS1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.831 2 6 0 -12.3164972963888 2809896 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])N4C=CC=C4 1 4.13 4 3 0 -3.59671546388341 2809895 CC1=NC(=CN1CC(C2=CC=C(C=C2)F)O)[N+](=O)[O-] 1 1.895 3 3 0 -1.59714893087491 2809890 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N3C=CC=C3)C(=O)C4=CC=C(C=C4)F 1 3.849 4 3 0 -2.88483843841816 2809885 C1C(CC2=CC=CC=C21)NCC(COC3=CC=C(C=C3)Cl)O 1 3.578 1 2 0.940053896029456 2809875 C1CN(CCC1C(=O)N)CC(CSC2=CC=C(C=C2)F)O 1 1.679 2 2 0 -1.63061079011304 2809869 C1C(C(=O)C2=CC=CC=C21)SC3=NN=NN3C4=CC=C(C=C4)O 1 3.024 4 2 -6.00371031132724 2809868 C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NN=NN3C4=CC=C(C=C4)O 1 3.409 4 3 0 -9.49998985647933 2809866 C1OC2=C(O1)C=C(C=C2)CNCC(COC3=CC=CC=C3)O 1 2.257 1 4 -2.11560186660053 2809861 CC1=CC(=CC=C1)CN2C(=CC(=N2)C(C)(C)C)C(=O)NC3=CC(=C(C=C3)N4CCOCC4)C(=O)OC 1 5.159 4 4 0 -10.0738170190553 2809860 CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)CC4=CC=C(C=C4)F 1 4.879 4 4 0 -10.0287468891618 2809855 COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CS2)N3CCOCC3 1 2.273 2 4 -9.32751434264658 2809850 CC(C)(C)C1=NN(C(=C1)C(=O)NC2CC2)CC3=CC=C(C=C3)F 1 4.087 3 1 -7.90165717079484 2809849 CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)F)CC3=CC=C(C=C3)F 1 5.379 3 1 -6.0603025992653 2809842 C1CN(CCN(C1)C(=O)NC2=C(C=C(C=C2)F)F)CCOC3=CC=CC=C3 1 3.215 3 2 -0.806153503616447 2809840 CC1=C(CC(C(C1)C(=O)NCC2=C(C=CC=C2Cl)F)C(=O)O)C 1 3.586 1 3 -9.06690083401905 2809833 COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)OC3=CC=C(C=C3)OC 1 5.084 1 4 -1.78892340559122 2809826 CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)OC3=CC=C(C=C3)OC 1 5.587 1 3 -0.962604463373673 2809825 COC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=C(C=C3)F 1 5.306 1 3 -0.529501103971256 2809820 CC1=NN(C2=C1C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4 1 5.177 5 0 1.6512570549979 2809815 C1CN(CCC1C(=O)N)CC(CSC2=CC=CC=C2)O 1 1.474 2 2 0 -3.26565304089441 2809810 CC(=O)C1=CC=C(C=C1)OCC(CNCC2=CC3=C(C=C2)OCO3)O 1 1.997 1 5 0 -6.66072668994839 2809808 C1=CC(=CC=C1C(=O)CSC2=NN=NN2C3=CC=C(C=C3)O)F 1 3.019 4 2 -12.0351722043068 2809803 CN(C)C1=CC=C(C=C1)N2C(=NN=N2)SC3CC4=CC=CC=C4C3=O 1 3.428 5 1 -10.544870801079 2809800 COC1=CC=C(C=C1)COCC(CN2CCC(CC2)C(=O)N)O 1 0.719 2 4 0 -5.52243618467139 2809799 COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)F 1 3.621 3 2 5.76088242549524 2809798 COC1=CC2=C(C=C1)NC(=C2)C(=O)N(CC3=CC=CC=N3)CC4=CC=CC=N4 1 3.108 4 2 0.941459459445851 2809797 COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4 1 4.469 2 2 4.05527938650914 2809794 CC(C)(CC(=O)NC1=NN(C2=CC=CC=C21)C)CC(=O)O 1 2.098 3 3 -6.08170612260667 2809791 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)Br)NC(=O)C3CCC3C(=O)O 1 3.761 3 3 -1.11094113726378 2809790 CN1C2=C(C(=CC=C2)F)C(=N1)NC(=O)C3CCC3C(=O)O 1 1.943 3 3 0 -3.70319479481599 2809788 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)OC)CC3=CC=CN3C 1 3.961 2 3 -9.20708594967662 2809787 CN1C=CC=C1CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 4.417 2 3 -7.87853490260864 2809786 CN1C=CC=C1CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3 1 3.475 2 3 -10.2004898154376 2809777 C1CN(CCN1CC(C2=CC=CC=C2)O)C3=NC=C(C=C3)C(F)(F)F 1 2.733 3 1 5.29251269239813 2809776 C1CN(CCN1CC(C2=CC=CC=C2)O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.545 2 1 -4.85324126382605 2809773 C1C(CC2=CC=CC=C21)NCC(COC3=CC=C(C=C3)F)O 1 3.119 1 2 -0.170067769092111 2809764 C1OC2=C(O1)C=C(C=C2)CNCC(COC3=CC=C(C=C3)F)O 1 2.462 1 4 -0.915490829166477 2809754 CCCCNC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.057 3 1 -15.4330755848306 2809748 CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 4.841 3 2 -13.0085297582902 2809745 C1=CC2=C(C(=C1)S(=O)(=O)NCC3=CC=CS3)N=CC=C2 1 2.25 2 2 -10.3198581171797 2809736 C1C(CC2=CC=CC=C21)NCC(C3=CC=CC=C3)O 1 2.865 1 1 -6.80682639284114e-002 2809735 C1=CC=C(C=C1)C(CNCC2=CC=CS2)O 1 2.18 1 1 -1.82540029426754 2809733 CC1(CC(=O)N(C(=O)C1)C2=CC(=C(C=C2C(=O)OC)OC)OC)C 1 1.727 1 6 0 -12.423661721802 2809721 CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)N4CCOCC4 1 2.307 2 3 -4.97849077081567 2809708 C1=CC(=CC=C1C2=NOC(=N2)CNC(=O)COCC(=O)O)C(F)(F)F 1 0.701 3 5 0 -3.22871504896587 2809697 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COCC(=O)O 1 -1.085 2 4 0 -13.2267424484642 2809686 C1=CC=C2C(=C1)NC(=S)N2CCC#N 1 2.869 3 0 -5.81163184431259 2809685 CC1=C(C=C(O1)S(=O)(=O)NC2=C(SC=C2)C(=O)OC)C(=O)OC 1 1.355 1 7 0 -7.06097646630236 2809680 CC(=O)C1=C(C=CS1)NC(=O)CC(C)(C)CC(=O)O 1 1.403 1 4 0 -10.852786013081 2809675 CC1=C(C=C(O1)S(=O)(=O)N(C)C)C(=O)NC2=CC=CC=C2 1 1.105 2 4 0 -6.73541948441562 2809673 CC1=C(C=C(O1)S(=O)(=O)N(C)C)C(=O)NC2=CC=C(C=C2)F 1 1.31 2 4 0 -5.86688832057702 2809669 C1=CC(=CC=C1C(=O)C2=NC=CN2)OC(F)(F)F 1 3.648 2 2 0.484288083781554 2809666 C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=C(SC=C3)C(=O)O 1 1.87 3 4 0 -11.2417569684242 2809655 CC1=CC=C(C=C1)S(=O)(=O)NC2=CSC(=C2C(=O)O)C 1 2.241 1 4 -5.47304285677827 2809653 COC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)S(=O)(=O)N3CCOCC3 1 0.922 2 6 0 -15.14680143124 2809650 C1COCCN1S(=O)(=O)C2=CC=C(O2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 3.059 2 6 0 -12.0424325745497 2809649 C1COCCN1S(=O)(=O)C2=CC=C(O2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 -0.356 3 7 0 -18.7836464285491 2809648 C1COCCN1S(=O)(=O)C2=CC=C(O2)C(=O)NC3=CC=C(C=C3)F 1 1.144 2 5 0 -14.0219581966306 2809644 COC1=C(C(=CC=C1)Cl)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl 1 4.28 4 2 -3.27108916084085e-002 2809642 CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)NC4=C(C=CC=C4Cl)OC 1 3.898 4 2 1.48704750403025 2809641 C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C(F)(F)F 1 3.699 4 3 0 -9.37622345045149 2809633 CCCCNC(=O)C1=C(OC(=C1)S(=O)(=O)N2CCCCC2)C 1 1.774 2 4 0 -16.8268973756058 2809630 C1COC2=C1C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCC5 1 2.241 2 4 -4.73769013473202 2809629 CC1=CSC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C(F)(F)F 1 4.32 2 1 -0.376886859975563 2809628 CC1=CSC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C 1 3.232 2 1 -0.152079182058666 2809627 COC(=O)C1=C(C=CS1)NC(=O)CC2C(=O)NCCN2 1 -0.509 3 4 0 -21.9610822166835 2809621 COCCOC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)C(=O)O)OCCOC 1 1.276 3 6 0 -2.06113777443452 2809618 CCOC(=O)C1CCN(CC1)C2=NC=NC3=CC(=C(C=C32)OC)OC 1 2.113 3 4 0 -1.6115005022427 2809615 CC1=CSC2=C1N=CN=C2N3CCC(CC3)C(=O)O 1 2.011 3 2 -1.82950810531625 2809614 CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2SC=C3C 1 2.585 3 2 -3.17058998795019 2809613 CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2C=NN3C 1 0.857 5 2 0 -1.69037855598618 2809607 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)F)NC(=O)C3=CC=CO3 1 3.878 3 2 0.214514309286497 2809606 CN1C(=C(C(=N1)C(F)(F)F)C2=CC(=CC=C2)C(F)(F)F)NC(=O)C3=CC=CO3 1 4.615 3 2 2.02733887761218 2809605 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)OC)NC(=O)C3=CC=CO3 1 3.657 3 3 -0.631555259260059 2809604 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)Br)NC(=O)C3=CC=CO3 1 4.421 3 2 0.146749895369461 2809602 CC(=O)NC1=C(C(=NN1C)C(F)(F)F)C2=CC=C(C=C2)OC 1 2.597 3 2 -0.858699370342004 2809600 CN1C=CC=C1CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)F 1 3.68 2 3 -8.49520892421137 2809593 COC1=C(C=C(C=C1)NC(=O)C2CC2)OC3CCCC3 1 3.077 1 3 -8.71416845429888 2809536 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=C(C=C3)Cl)O 1 3.884 1 3 -5.26244574504556 2809537 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=C(C=C3)Cl)O)OC 1 2.451 1 5 -12.2637929492563 2809542 CC1=NC(=CS1)C2=NN=C(N2C)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 4.074 5 1 -9.72840491713063 2809544 CC1=NC(=CS1)C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)C(F)(F)F 1 3.131 5 1 -7.50408287458445 2809548 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN=C(C=C2)C(F)(F)F 1 3.245 2 2 -3.04840389799401 2809591 C1=CC(=NC(=C1)OC2=CC=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)F 1 4.675 2 3 1.8449495269356 2809588 COC(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)N3CCOCC3 1 2.228 2 5 0 -5.93416498360814 2809586 CC1=NC(=CN1CC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.078 3 3 -4.30802298008045 2809584 CC1=CC=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])N3C=CN=C3)C 1 2.561 4 2 -5.75262998054441 2809581 CC1=CC=C(C=C1)C(=O)CN2C=C(N=C2C)[N+](=O)[O-] 1 2.359 3 3 -5.20819659987951 2809579 CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])N3C=CC=C3 1 3.525 4 3 0 -6.55841131740077 2809578 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N3C=CC=C3)C(=O)C4=CC=CC=C4F 1 3.849 4 3 0 -4.59132204725269 2809575 C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])N4C=CC=C4 1 2.737 4 3 0 -7.38566956867581 2809574 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N3C=CC=C3)C(=O)C4=CC=CC=C4 1 3.643 4 3 0 -4.48975725791754 2809568 C1CC(C1C(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl)C(=O)O 1 2.705 2 3 2.66182329194673 2809567 CN(C1=NC(=CS1)C2=CC=C(S2)Cl)C(=O)C3CCC3C(=O)O 1 2.911 2 3 2.14026695575008 2809560 CC1=C(N=C(S1)NC(=O)C2=CC=CS2)CC(=O)OC 1 2.029 2 3 -9.32008892623402 2809534 COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)(C3=CC=C(C=C3)Cl)O)OC 1 2.748 1 4 -3.08013638430393 2809533 C1CCC(CC1)C(=O)N2CCC(CC2)(C3=CC=C(C=C3)Cl)O 1 3.242 1 2 1.16863672977492 2809530 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)(C3=CC=C(C=C3)Cl)O 1 3.131 1 4 -7.16163578218703 2809526 COC(=O)C1=C(C=CS1)NC(=O)CSCC(=O)O 1 0.721 1 5 0 -14.9928625023717 2809510 CC1=C(C=C(O1)S(=O)(=O)NC2=CC=CC(=C2)C3=CN=CO3)C(=O)OC 1 1.253 2 6 0 -1.01856267240799 2809496 CC1=CC(=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)Br 1 3.605 2 2 -0.515844841868327 2809495 CC1=CC(=C(N=C1)NS(=O)(=O)C2=CC=CC=C2)Br 1 2.94 2 2 -3.2338531716913 2809489 CN(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=NC4=CC=CC=C43)C(F)(F)F 1 4.592 4 1 -0.280709335158652 2809481 C1CN(CCN1C2=CC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)C4=CC(=CC(=C4)Cl)Cl 1 5.759 3 1 4.18395895091166 2809479 CC1=CSC2=C1N=CN=C2NCCCN3CCOCC3 1 1.592 4 1 0 -2.75854438247142 2809472 CC1=C(C=C(O1)S(=O)(=O)NC2=NN(C3=C2C(=CC=C3)F)C)C(=O)OC 1 2.141 3 5 0 -4.84252926957848 2809471 CC1=C(C=C(O1)S(=O)(=O)NC2=NN(C3=CC=CC=C32)C)C(=O)OC 1 1.935 3 5 0 -5.08828612910373 2809469 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=NC(=NO3)C4=CC=C(C=C4)C(F)(F)F 1 4.358 4 3 0 -2.06938618113392 2809467 C1=CSC(=C1)C(=O)NCC2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F 1 3.1 3 2 7.5969857616805e-002 2809457 CC1=CC(=NN1C(C)(C)C)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F 1 1.935 4 3 0 -7.65357303859803 2809454 C1CN(C=CC(=N1)C(F)(F)F)S(=O)(=O)C2=CC=CC=C2C(F)(F)F 1 2.787 2 2 -5.28346442584781 2809450 CC1=CC(=NN1C(C)(C)C)C(=O)NNS(=O)(=O)C2=CC=CC=C2C(F)(F)F 1 2.672 4 3 0 -8.24172414518255 2809449 CC1=CC(=NN1C(C)(C)C)C(=O)NNS(=O)(=O)C2=CC(=CC=C2)Cl 1 2.394 4 3 0 -7.44119162543278 2809448 CC1=CC(=NN1C(C)(C)C)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.13 4 3 0 -5.73853673348645 2809443 CC1=CC(=NN1C(C)(C)C)C(=O)NNC(=O)C2=CC=CS2 1 1.98 4 2 0 -6.90444122994557 2809431 C1=CC(=CN=C1)C2=NC(=CS2)C3=CC=C(S3)Cl 1 3.419 2 0 8.59768941964474 2809425 C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCO3)C4=NC=C(C=C4)C(F)(F)F 1 2.064 4 3 0 -0.938001697208885 2809415 CN(C1=CC=CC=C1)C(=O)CN2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-] 1 1.454 5 3 0 -3.16618923892938 2809411 CN1C=CC=C1CN(CC2=CC=C(C=C2)OC)C(=O)C3=CC4=C(N3)C=CC(=C4)OC 1 4.34 3 3 -1.49770395144443 2809408 C1=CC=C2C(=C1)NC(C3=CC=CN32)C4=CC=C(C=C4)Cl 1 4.729 2 0 -7.70697555487655 2809401 CC1=CC(=C(C=C1)N2C(=NNC2=S)CC#N)C 1 3.046 4 0 -6.58126497360185 2809383 C1C=CC2C1C3CC2C(C3)NC(=S)NN 1 1.633 3 0 0 -3.54762069595348 2809381 C1C2CC(C1C=C2)NC(=S)NNCCO 1 0.711 3 1 0 -1.39247083581629 2809380 CC(C)(CCO)NC(=S)NC1CC2CC1C=C2 1 1.92 2 1 0 -4.21905842658587 2809375 CCCN(CCC)C(=S)NC1CC2CC1C=C2 1 4.095 2 0 -5.21074194263135 2809374 CC(C)C1=CC=C(C=C1)NC(=S)NC2CC3CC2C=C3 1 4.863 2 0 -1.92656761226247 2809371 CCOC1=CC=CC=C1NC(=S)NC2CC3CCC2C3 1 4.446 2 1 -6.95878028996996 2809369 C1CCC(CC1)NC(=S)NC2CC3CC2C=C3 1 3.673 2 0 -3.4021546886733 2809367 CC(C)(C#C)NC(=S)NC1CC2CC1C=C2 1 3.589 2 0 -4.28591065532032 2809366 CC1=CC(=CC=C1)NC(=S)NC2CC3CC2C=C3 1 4.155 2 0 -0.322381755584969 2809362 COC1=C(C=C(C=C1)CCNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC 1 3.677 3 5 0 -17.6136999399384 2809358 CN(C)NC(=S)NC1CC2CCC1C2 1 1.901 3 0 0 -4.14156452714256 2809357 COC1=CC=CC=C1NC(=S)NC2CC3CCC2C3 1 4.097 2 1 -6.16552954108996 2809353 C1CC2CC1CC2NC(=S)NCCC3=CC=CC=N3 1 3.155 3 0 -8.06855626711846 2809352 CC1CCN(CC1)C(=S)NC2CC3CCC2C3 1 3.964 2 0 -10.3122544945112 2809351 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=CC=C(C=C3)C(C)C 1 6.171 3 2 -10.7091055735234 2809330 C1=C(C=NC(=C1Cl)C=NNC(=S)N)C(F)(F)F 1 2.684 4 0 2.01483499812328 2809328 COC(=O)C1=CN(C=C(C1=O)F)CC2=CC=C(C=C2)C(F)(F)F 1 2.136 1 3 -0.566440981513063 2809327 COC1=CC(=C(C=C1)OC)CN2C=C(C(=O)C(=C2)F)C(=O)OC 1 1.161 1 5 0 -5.5126512186114 2809320 C1=CC(=C(C=C1Cl)Cl)OCC2=C(C=C(C=N2)C(F)(F)F)Cl 1 5.397 1 1 6.09208568375916 2809306 CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)O)O 1 3.864 1 3 3.79435293414383 2809301 C1=COC(=C1)C=NNC(=O)C2=NC=CN=C2N 1 -2.e-003 5 2 0 -9.10388701812567 2809292 C1=CC(=C(C(=C1)Cl)Cl)S(=O)(=O)NNC2=NC=CC(=N2)C(F)(F)F 1 3.144 4 2 -4.18415801393769 2809289 C1=CC(=CC(=C1)Cl)NC(=O)NNC2=NC=CC(=N2)C(F)(F)F 1 2.685 5 1 -0.647620779715494 2809273 C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 1 2.651 5 1 0.269741157921168 2809272 CC(C)(C)NC(=O)N1CCN(CC1)C2=NC(=NS2)C3=CC=CC=C3 1 2.006 5 1 -5.50291852593351 2809268 C1=CC(=CC=C1NN=C(C#N)C#N)N2C=CC(=N2)C(F)(F)F 1 3.402 6 0 2.70043492787925 2809266 CC(=O)C(=NNC1=CC=C(C=C1)N2C=CC(=N2)C(F)(F)F)C(=O)C 1 3.105 4 2 4.04057883517207 2809260 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)N3C=CC(=N3)C(F)(F)F)C(=O)O 1 3.841 3 3 -2.00855618234047 2809257 C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC=C(C=C2)N3C=CC(=N3)C(F)(F)F 1 4.784 4 1 4.2402906521669 2809249 CC1=C(C(=NO1)C)C(=O)NC2=CC=C(C=C2)N3C=CC(=N3)C(F)(F)F 1 3.094 4 2 -5.57723867663499 2809248 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)N3C=CC(=N3)C(F)(F)F 1 4.165 3 1 -0.770137485357474 2809241 C1=CC=C2C(=C1)C=CN2CC(CSC3=CC=CC=C3N)O 1 3.262 2 1 -7.22586844076577 2809213 C1=COC(=C1)CNC2=NC=CC(=N2)C(F)(F)F 1 2.044 3 1 -1.84786808554749 2809149 COC(=O)C1=CSC2=C1N=C(C=C2C(F)(F)F)N3CCN(CC3)C(=O)NC4=CC=CC=C4 1 3.638 4 3 0 -4.36135979248836 2809114 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)C 1 4.307 1 3 -4.11504641926846 2809113 CC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.82 1 3 -5.30408752055287 2809108 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)F)C(=O)C 1 4.512 1 3 -2.92865297748801 2809107 CC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=CC=C3 1 4.026 1 3 -3.82466261672417 2809073 CCC1=NC2=CC=CC=C2N=C1N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4C)Cl)C 1 4.546 4 2 -5.90865725288784 2809072 CCC1=NC2=CC=CC=C2N=C1N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.909 4 2 -14.2440097170774 2809060 CC(C)(C)C1=CC2=C(S1)C(=NC=N2)N3CCCCC3 1 4.031 3 0 2.58181532292746 2809037 CN1C(=C(C=N1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)N3C=CC=C3 1 4.385 4 2 -2.6003485282838 2809015 CC(C)(C)C1=CC=C(C=C1)C(=NOC2=NC=NC3=C2C=NN3C)N 1 2.911 6 1 0 4.58293971503499 2809005 CN1C2=C(C=N1)C(=NC=N2)ON=C(C3=CC=C(C=C3)C(F)(F)F)N 1 2.453 6 1 0 5.60057245325597 2809000 CCOC(=O)C1=C(N(N=C1)C2=NC=NC3=C2C=NN3C)N 1 0.447 7 2 0 -8.61891294391518 2808993 CCC1=NC2=CC=CC=C2N=C1N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.573 4 2 -11.357588390242 2808987 CCC1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(=O)C(C)(C)C 1 3.088 4 1 -5.7720815522817 2808976 CN1CCN(CC1)C2=NC=NC3=C2C=NN3C 1 0.138 6 0 0 4.50193298939275 2808956 CN1C(=C(C=N1)Br)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 4.165 4 2 -1.107655598718 2808950 CCC1=CC=CC(=C1NC(=O)NC2=C(C=NN2C)Br)C 1 3.474 4 1 -6.08693845313798 2808949 CC1=CC(=CC(=C1)NC(=O)NC2=C(C=NN2C)Br)C 1 3.018 4 1 -4.26325616211238 2808948 CC1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C)C 1 3.121 4 4 0 -15.5042567790891 2808947 CN1C(=C(C=N1)Br)NC(=O)NC2=CC=C(C=C2)Cl 1 2.71 4 1 -1.97705955567741 2808937 CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C 1 3.759 3 5 0 -8.27719393707475 2808933 CC1=CSC(=C1N(C)C)C(=O)NN 1 0.942 3 1 0 -3.36984499009341 2808927 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=NN2C 1 2.492 3 2 -8.76721342504914 2808894 CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=CC=NN2C 1 2.242 3 2 -10.481235159544 2808893 CN1C(=CC=N1)NS(=O)(=O)C2=CC=C(C=C2)F 1 1.297 3 2 0 -10.6334705486952 2808890 CN1C(=CC=N1)NC(=O)C2=C(C=CC=C2OC)OC 1 1.356 3 3 0 -16.5604015388803 2808886 CN1C(=CC=N1)NC(=O)NC2=CC(=CC=C2)Cl 1 1.961 4 1 0 -10.8261191706983 2808879 CN1C(=CC=N1)NC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 2.626 4 1 -14.7892622305871 2808875 COC1=C(C=C2C(=C1)C(=NC=N2)NCCCN3CCOCC3)OC 1 1.119 4 3 0 -2.03822621213423 2808865 CN1C(=CC=N1)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.191 5 3 0 -15.6310081618488 2808863 CN1C(=CC=N1)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 3.417 4 2 -10.8835857798575 2808860 CN1C(=CC=N1)NC(=O)NC2=CC(=CC=C2)Br 1 2.045 4 1 -12.1162718889184 2808847 CC1=CC=C(C=C1)SCC(=O)NC2=C(C=NN2C)Br 1 3.017 3 1 -5.59577997394832 2808843 CN1C(=C(C=N1)Br)NC(=O)CSC2=CC=C(C=C2)Cl 1 3.195 3 1 -3.7737812833615 2808841 CN1C(=C(C=N1)Br)NC(=O)C2=CC=CO2 1 1.532 3 2 0 -4.38382830248844 2808836 CN1C(=C(C=N1)Br)NC(=O)NC2=CC=CC=C2 1 2.045 4 1 -3.95571238463758 2808832 CN1C(=C(C=N1)Br)NC(=O)C2=CC(=CC(=C2)Cl)Cl 1 3.466 3 1 -3.2301550147516 2808825 CN1C(=C(C=N1)Br)N2C(=O)CCC2=O 1 0.512 3 2 0 -6.70276482380068 2808819 CC1=CSC2=NC=NC(=C12)NC3CCN(CC3)CC4=CC=CC=C4 1 3.64 4 0 0.331537496121113 2808818 CC1=CSC2=C1N=CN=C2NC3CCN(CC3)CC4=CC=CC=C4 1 3.397 4 0 1.39072658852236 2808813 CN1C(=CC=N1)NC(=O)NC(=O)C2=C(C=CC=C2Cl)Cl 1 2.497 4 2 -12.8279489455822 2808805 COC1=C(C=C(C(=C1)C(=O)OC)N2C(=O)CCCC2=O)OC 1 1.269 1 6 0 -12.328737120375 2808799 COC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)Cl)N3C(=O)CCC3=O 1 3.023 1 5 -7.97113391189263 2808793 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)OC 1 2.612 1 4 -8.26668608993557 2808792 COC(=O)C1=C(C=CS1)S(=O)(=O)NC2=CC=C(C=C2)Cl 1 2.79 1 4 -6.44468739934876 2808788 CC1=CSC(=C1C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CO3 1 3.686 1 3 -6.24502281459649 2808768 CN1C(=CC=N1)NC(=O)NC2=CC=C(C=C2)Cl 1 1.961 4 1 0 -11.7529897368169 2808767 CN1C(=CC=N1)NC(=O)NC2=CC=CC=C2 1 1.297 4 1 0 -13.7316425657771 2808730 CN1C(=CC=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(F)(F)F 1 1.3 4 3 0 -15.1012763082034 2808627 CC1=CC=C(N1C2=C(C=CS2)C(=O)O)C 1 2.413 1 2 -6.34596383752129 2808622 C1=CC(=CC=C1C(=O)NNC2=C3C=CSC3=NC=N2)Cl 1 3.122 4 1 -2.13458096192118 2808617 CCOC(=O)C1=CN=C(N=C1C(F)(F)F)NC2=CC=CC=C2 1 3.06 3 2 -4.56473265833928 2808610 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CSC4=NC=N3 1 2.883 4 2 -12.9172875821448 2808597 C1CN(CCC1NC2=C3C=CSC3=NC=N2)CC4=CC=CC=C4 1 3.154 4 0 -0.149865727028559 2808586 CC(=O)N(C1=CC=C(C=C1)C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 2.41 2 5 0 -7.44253606667539 2808579 COC(=O)C1=C(SC=C1)NC(=O)C2=CC=CO2 1 1.651 1 4 0 -8.35683045065197 2808576 COC(=O)C1=C(SC=C1)NC(=O)C2=CC=CC=C2 1 2.256 1 3 -10.0583304163481 2808514 CC1=CSC2=NC=NC(=C12)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)C(F)(F)F 1 5.927 5 0 -6.0413830954658 2808513 CC1=CSC2=NC=NC(=C12)N3CCN(CC3)C(=S)NC4=C(C=C(C=C4)F)F 1 5.396 5 0 -7.76657679288139 2808509 CC1=CSC2=NC=NC(=C12)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F 1 5.209 5 2 0 -1.7285947269275 2808508 CC1=CSC2=NC=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F 1 3.826 4 2 -10.2317838534935 2808498 CC1=CSC2=C1N=CN=C2N3CCN(CC3)C(=S)NC4=C(C=C(C=C4)F)F 1 5.005 5 0 -6.59021655101839 2808496 CC1=CSC2=C1N=CN=C2N3CCN(CC3)C(=S)NC4=CC=C(C=C4)C(F)(F)F 1 5.536 5 0 -4.86502285360279 2808495 CN1C2=C(C=C(S2)C(=O)NC3=CC(=C(C=C3)F)Cl)C(=N1)C(F)(F)F 1 4.536 3 1 -1.60146997871944 2808494 CN1C2=C(C=C(S2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=N1)C(F)(F)F 1 4.608 3 1 -0.832673682432573 2808492 CC1=CSC2=C1N=CN=C2N3CCN(CC3)C(=O)NC(C)(C)C 1 2.053 5 1 -9.54141633390507 2808491 CC1=CSC2=C1N=CN=C2N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)Cl)Cl 1 4.027 5 1 -1.6235484393973 2808490 CC1=CSC2=C1N=CN=C2N3CCN(CC3)C(=O)NC4=CC=CC=C4 1 2.698 5 1 -3.40029127098407 2808489 CC1=CSC2=C1N=CN=C2N3CCN(CC3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F 1 4.818 5 2 0 -0.552234485064496 2808486 CC1=CSC2=C1N=CN=C2N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)(C)C 1 4.19 4 1 -9.99150336781507e-002 2808484 CC1=CSC2=C1N=CN=C2N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.157 4 2 -11.2252518742671 2808482 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC4=C3SC=C4C 1 3.276 4 1 -2.86634577712326 2808477 CN1C2=C(C=C(S2)C(=O)NC3=CC=C(C=C3)F)C(=N1)C(F)(F)F 1 3.872 3 1 -2.64821794048287 2808476 CN1C2=C(C=C(S2)C(=O)OC)C(=N1)C(F)(F)F 1 2.737 2 2 -2.83284520983423 2808428 CCOC1=C(SC=C1)C(=O)NNC(=O)C2=CC=CO2 1 1.552 2 4 0 -7.98199360340848 2808387 C1=CC(=CC=C1N2C(=C(C=N2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(F)(F)F)[N+](=O)[O-] 1 5.762 5 3 0 -5.34539952661612 2808383 CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(F)(F)F 1 4.646 3 4 0 -5.60799229567987 2808378 CC(=O)C1=C(C=CS1)NC(=O)C2=CC=CC=C2C(=O)O 1 1.937 1 4 0 -9.7861610863665 2808367 COC(=O)C1=C(C=CS1)NC(=O)C2CC2 1 1.516 1 3 0 -6.90292477020964 2808363 COC(=O)C1=C(C=CS1)NC(=O)C2=CC=C(C=C2)C#N 1 2.302 2 3 -11.2725947144296 2808361 CC1=CSC(=C1NC(=O)C2=CC=CC(=C2)C#N)C(=O)OC 1 2.788 2 3 -9.41280347938142 2808356 COC(=O)C1=C(C=CS1)NC(=S)OC 1 2.773 1 3 -6.90742028287219 2808348 CC1=C(C(=CS1)NS(=O)(=O)C2=CC=CC=C2)C(=O)OC 1 1.98 1 4 0 -8.93135714802876 2808346 CC1=C(C(=CS1)NC(=O)C(C)(C)C)C(=O)OC 1 2.159 1 3 -15.0181824318181 2808345 CC1=C(C(=CS1)NC(=O)C)C(=O)OC 1 0.613 1 3 0 -9.32036955797096 2808343 CC1=CC=C(C=C1)C(=O)NC2=CSC(=C2C(=O)OC)C 1 2.763 1 3 -9.29199167001794 2808335 CC1=CSC(=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)OC 1 1.733 2 5 0 -9.78179690260306 2808320 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC(=CS2)C 1 2.5 2 3 -9.75949330238049 2808314 CC1=CSC(=C1)C(=O)NCC(=O)NNC(=O)C2=CC(=CC=C2)Cl 1 2.035 3 3 -11.1641300300384 2808311 CC1=CSC2=NC=NC(=C12)NNC(=O)C3=CC=C(C=C3)Cl 1 3.608 4 1 -1.65317773877151 2808307 CC(=O)C1=C(C=C(S1)C(C)(C)C)NC(=O)C2=CC=CC=C2C(=O)O 1 3.629 1 4 -7.89496051183005 2808306 CC(=O)C1=C(C=C(S1)C(C)(C)C)NC(=O)CCC(=O)O 1 2.18 1 4 -11.4734753387827 2808294 COC(=O)C1=C(C=CS1)NC(=O)C2=CC=CC=C2C(=O)O 1 2.053 1 5 -10.513223886087 2808284 CC1=CSC2=C1N=CN=C2SCC(=O)NNC(=O)C(Cl)Cl 1 2.332 4 2 -12.9294021755396 2808279 CC1=CSC2=C1N=CN=C2SCC(=O)NNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.447 4 3 0 -11.313199227147 2808259 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C(F)(F)F 1 4.185 4 3 0 -8.48021381121533 2808254 C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(F)(F)F 1 3.977 4 3 0 -8.72005739493708 2808253 C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)F)C(F)(F)F 1 3.24 4 3 0 -10.5356016529874 2808252 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C(F)(F)F 1 3.521 4 3 0 -10.9687050123898 2808249 C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NNC(=O)C(Cl)Cl)C(F)(F)F 1 2.862 4 2 -8.38291006098546 2808143 COC(=O)C1=CN=C(N=C1C(F)(F)F)NNC(=O)C2=CC=C(C=C2)C(F)(F)F 1 2.91 4 3 0 -3.36384885998474 2808133 COC(=O)C1=CN=C(N=C1C(F)(F)F)NNS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F 1 2.613 4 4 0 -5.91238408727296 2808132 COC(=O)C1=CN=C(N=C1C(F)(F)F)NNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.335 4 4 0 -6.33903301413886 2808130 COC(=O)C1=CN=C(N=C1C(F)(F)F)N2CCOCC2 1 1.028 3 3 0 -1.06546407198724 2808118 CCOC(=O)C(=CNNC1=C(SC=C1C)C(=O)OC)C(=O)OCC 1 1.975 2 6 0 -3.54241442532247 2808105 CCOC(=O)C(=CNNC1=C(SC=C1)C(=O)OC)C(=O)OCC 1 1.489 2 6 0 -3.52387792651185 2808101 COC(=O)C1=C(C=CS1)NN2C(=O)C3=CC=CC=C3C2=O 1 2.27 2 4 -6.67700099042298 2808069 CC1=CSC2=C1N=CN=C2N(C)CCO 1 1.369 3 1 0 0.186704061406157 2808064 CC1=CSC2=C1N=CN=C2N3CCCCC3 1 2.826 3 0 4.2316161415078e-002 2808016 CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)NC(=O)NC3=CC=C(C=C3)F 1 4.887 4 1 -0.44582503976954 2808002 CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F 1 4.315 3 1 -2.93586331687339 2807999 CCCC1=C(C=NN1C2=CC=CC=C2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 5.346 4 1 -1.56984843782203 2807997 CCCC1=C(C=NN1C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)F 1 4.223 4 1 -2.93431624094399 2807966 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2C)C(=O)OC 1 3.098 1 4 -3.67397379225812 2807956 CC1=CSC(=C1NC(=O)C2=CC=C(C=C2)Cl)C(=O)OC 1 3.574 1 3 -4.85220785454638 2807934 CC1=CSC2=C1NC=NC2=O 1 1.19 2 1 0 -3.23210430804261 2807928 CC1=CSC(=C1NC(=O)CSC2=CC=C(C=C2)Cl)C(=O)OC 1 3.967 1 3 -6.59134687427045 2807913 CC1=CSC(=C1N2C(=O)C3=CC=CC=C3C2=O)C(=O)OC 1 2.734 1 4 -7.31502831329857 2807902 CC1=CC(=O)N(C1=O)C2=NN(C=C2)C 1 1.023 3 2 0 -2.47201962961676 2807895 CSC(=CC(=O)C1=CC=C(C=C1)F)SC 1 3.628 0 1 2.42635560483598 2807878 C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)NC2=C(SC(=C2)C3=CSC=C3)C(=O)N 1 3.687 2 3 -1.00241737074728 2807863 CCOC(=O)C1=C(N(N=C1)C)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.922 3 3 -5.67296128058042 2807849 CC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N 1 2.586 1 1 -0.910122711401309 2807847 CCOC(=O)/C(=C/NC1=C(SC(=C1)C(C)(C)C)C(=O)C)/C#N 1 3.067 2 3 -7.90968663190821 2807822 CCOC(=O)CC(=O)NC1=CC=NN1 1 -9.7e-002 3 3 0 -7.07517137582062 2807796 CN1C=C(C(=N1)C(F)(F)F)NC(=O)NC2=CC=C(C=C2)C(F)(F)F 1 3.485 4 1 0.918711201144593 2807776 CN1C(=C(C=N1)C(=O)NC2=CC=C(C=C2)Cl)C(F)(F)F 1 3.162 3 1 -3.96158479878619 2807756 CN(C)C1=C(SC=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.354 3 3 -9.95535997670973 2807743 C1=CC=C2C(=C1)N=C(S2)CC(=NO)N 1 1.424 3 1 0 3.91485176403583 2807719 COC(=O)C1=C(C=CS1)NS(=O)(=O)C2=C(C=C(C=C2)F)F 1 2.537 1 4 -6.03713870761792 2807713 CN1C=CC(=N1)NC(=O)NC2=CC=C(C=C2)Cl 1 2.376 4 1 -1.75898765513097 2807693 CCOC(=O)CC(=O)NC1=C(SC=C1)C(=O)N 1 0.29 2 4 0 -9.73812073400447 2807674 C1=CC2=NN=C3C(=CNN3C2=CC1=O)Br 1 -0.17 4 1 0 1.63308488730463e-003 2807660 CN1C=C(C(=N1)NS(=O)(=O)C2=CC=C(S2)Cl)Br 1 2.5 3 2 3.04200265884209 2807652 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C3=NN=C(O3)C4=CC=C(C=C4)Cl 1 5.593 3 2 1.47646323362983 2807638 COC(=O)C1=C(C=CS1)NC(=O)C2=CC=CS2 1 2.376 1 3 -8.89851622164787 2807627 CC1CCCN(C1)C2=NN3C=NN=C3C=C2 1 1.476 5 0 0 -3.53073036627682 2807625 CC1=CSC(=C1C#N)N=CN(C)C 1 1.489 3 0 0 -3.15525032484073 2807599 CC1=CC=C(C=C1)NC(=S)NC2=C(SC=C2)C(=O)OC 1 4.661 2 2 -9.32983442284348 2807596 COC(=O)C1=C(C=CS1)NC(=S)NC2=CC(=CC=C2)F 1 4.381 2 2 -7.53882875721303 2807595 CC1=NC2=C(C3=C(S2)CCC3)C(=O)N1 1 1.542 2 1 0 -13.8949491820481 2807587 C1=CC(=CC=C1C(=O)NC2=C(SC=C2)C(=O)O)Cl 1 2.862 1 3 -6.95817122857507 2807586 CCOC(=O)/C(=C/NC1=C(SC=C1)C(=O)C)/C#N 1 1.375 2 3 0 -9.45914233222251 2807560 CCOC(=O)CN(C(=O)C1=CC=CC=C1[N+](=O)[O-])C(C)(C)C 1 2.125 2 5 0 -11.7732530908811 2807553 COC1=CC2=C(C=C1)C(=NNC3=NC(=CS3)C(=O)NN)CCC2 1 1.493 5 2 0 -6.97454399009493 2807552 CCOC(=O)C1=CSC(=N1)NN=C2CCC3=CC=CC=C32 1 2.747 3 2 -8.01010894532819 2807550 CCOC(=O)C1=CSC(=N1)NN=C2CCCC3=CC=CC=C32 1 3.203 3 2 -9.62604161426052 2807539 C1=CC=C(C(=C1)C(=O)O)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.151 1 5 -7.22648625843121 2807476 C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC=CS4)C#N)N 1 3.513 2 1 -5.48074234508047 2807475 C1CC2=C(C3=CC=CC=C31)N=C(S2)N.Br Br- 1 2.498 2 0 10.7419264774735 2807457 C1CC(=O)N(C2=CC=CC=C21)CC3=CC=CC=C3 1 3.065 1 1 -4.70761256821217 2807448 COC1=NC2=C(CC3=CC=CC=C32)C(=C1C#N)C4=CC(=CS4)Br 1 5.392 2 1 0.798526075158963 2807444 COC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C#N 1 4.314 2 3 -1.2724419509082 2807425 CN(C)C(=O)OC1=CC2=C(C=C1)N=NC3=CC=NN32 1 1.37 5 2 0 -10.2931967454413 2807422 CSC1=CC(=NC(=C1)C2=CC=NC=C2)C3=CC=C(C=C3)Cl 1 4.628 2 0 7.69904679938512 2807378 CC1=NN(C2=C1C=C(S2)C(=O)OC)C 1 1.649 2 2 0 -6.58766147751226 2807340 CC1=NN(C(=C1[N+](=O)[O-])SC2=CC=CC=C2N)C 1 2.153 4 2 -1.28078368074579 2807339 CC1=CC=C(C=C1)SC2=C(C(=NN2C)C)[N+](=O)[O-] 1 3.386 3 2 2.66177818630255 2807326 CC1=C(C(=CC=C1)C)NC(=S)NCC2=CC=NC=C2 1 3.917 3 0 -8.08739039174028 2807318 CC1CN(CC(O1)C)C(=S)NC2=CC=CC=C2OC 1 3.474 2 2 -15.1383545358303 2807314 CC1CN(CC(O1)C)C(=S)NC2=C(C=CC=C2C)C 1 4.463 2 1 -13.4971222899001 2807309 CC1=C(C(=CC=C1)C)NC(=S)N2CCOCC2 1 3.708 2 1 -12.5180099745786 2807308 COC1=CC=CC=C1NC(=S)N2CCOCC2 1 2.719 2 2 -14.1592422205089 2807287 C1C2C=CC1C3C2C(=O)N(C3=O)C4=NC(=CC=C4)N5C(=O)C6C7CC(C6C5=O)C=C7 1 1.471 3 4 0 1.76828047684252 2807276 C1CN(C2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)C(Cl)(Cl)Cl 1 3.654 2 2 -7.00415196294695 2807263 CC(C)(C)SC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=NC=C2 1 2.831 3 3 -5.58949453846551 2807262 CC(C)SC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=NC=C2 1 2.626 3 3 -6.82158543975606 2807234 C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-] 1 3.173 3 4 0 -5.90531427578908 2807233 C1=CC=NC(=C1)SC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 1.936 3 4 0 -7.68136650738606 2807230 C=CCN1C(=NNC1=S)CSC2=CC=CC=C2[N+](=O)[O-] 1 3.006 4 2 -15.9775697586178 2807156 C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=C(C=C3)Cl 1 3.113 2 1 -0.321126153519079 2807150 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CC=C3Cl 1 5.347 1 2 -6.51047739827966 2807133 C1=CC=NC(=C1)CCC2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 4.933 2 2 -1.26484454495711 2807131 C1=CC=NC(=C1)CCC2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 4.269 2 2 -1.28871002359347 2807042 CC(=NNC1=NCCN1)C2=CC=C(C=C2)Cl 1 1.738 4 0 0 -4.95440002343658 2807041 CC(=NNC1=NCCN1)C2=CC=CC=C2 1 1.074 4 0 0 -7.57204628153275 2807008 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NNC(=O)C2=CC=NC=C2.Cl Cl- 1 1.663 3 2 0 -2.12158994090941 2807001 C1CN(C(=N1)NNC(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=CC=CC=C3 1 3.013 4 1 -1.79762739767984 2806957 C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)C(F)(F)F)NC(=O)C3=CC=CC=C3Cl 1 3.886 4 2 -10.4616606774187 2806956 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=NN=C(S3)C(F)(F)F 1 3.222 4 2 -12.2769203039268 2806931 C1CN(C(=O)C(N1)CC(=O)NN)CC2=CC=CC=C2 1 -0.803 4 2 0 -11.3915351583501 2806929 CC1=CC=C(C=C1)NC(=O)CC2C(=O)N(CCN2)CC3=CC=CC=C3 1 1.958 3 2 0 -11.5520853967245 2806928 C1CN(C(=O)C(N1)CC(=O)NC2=CC=C(C=C2)Cl)CC3=CC=CC=C3 1 2.136 3 2 -9.73008670613765 2806925 C1CN(C(=O)C(N1)CC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3 1 1.472 3 2 0 -12.0017709971461 2806884 CC(C)(C)CC(C)(C)N1CNC(=S)NC1 1 2.948 3 0 -8.26618244729704 2806785 C1=CC=C(C(=C1)CC(=S)N)Cl 1 2.399 1 0 -0.78589604050581 2806768 C1=CC(=CC=C1C2=CSC(=N2)C3=CC=NC=C3)Cl 1 3.671 2 0 9.26157447428468 2806654 CC(=NNC(=S)NC)C1=CC=CC=C1 1 2.212 3 0 -9.36030046281233 2806509 C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=O)C4=CC=CC=C42 1 4.025 2 1 -8.59240335293756 2806492 CC1=NN=C(S1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 2.134 4 2 -16.3690519272945 2806491 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=NN=CS3 1 1.873 4 2 0 -13.3968290448701 2806485 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=CC(=C4)Cl)Cl 1 5.609 2 1 -1.01056856349379 2806471 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl 1 4.945 2 1 -1.55410775137121 2806463 CC1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Cl 1 4.419 0 1 1.21157305565581 2806415 CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.512 1 2 -9.90707461189587 2806389 CC1C2=C(CCN1S(=O)(=O)C3=CC=CS3)SC=C2 1 2.436 1 2 -12.1741948957974 2806386 CC1C2=C(CCN1S(=O)(=O)C3=CC=CC=C3)SC=C2 1 2.649 1 2 -14.3369038925971 2806377 CCOC(=O)C(=CNC1=CC=C(C=C1)C(F)(F)F)C(=O)OCC 1 2.949 1 4 2.21552459610134 2806372 COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C 1 0.596 1 4 0 -7.75975065361534 2806370 COC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 5.551 2 2 -6.79008157735321 2806369 COC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=CC=C2Cl 1 4.886 2 2 -8.63528679667174 2806353 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CN=CO3 1 2.024 2 3 -1.38801182275845 2806347 COC(=O)C1=CC(=CC=C1)NC(=O)NC(=O)C2=CC=C(C=C2)Cl 1 2.914 2 4 -4.61863632434895 2806346 COC(=O)C1=CC(=CC=C1)NC(=O)NC(=O)C2=CC=CC=C2Cl 1 2.914 2 4 -6.71695389346471 2806337 COC(=O)C1=CC(=CC=C1)NC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 3.707 2 3 -5.51178884366956 2806336 COC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)Cl 1 3.042 2 3 -4.4902798312053 2806332 CCCNC(=O)NC1=CC=CC(=C1)C(=O)OC 1 1.674 2 3 0 -11.9195476162636 2806329 C1CC1C2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.042 3 3 -1.83465921737607 2806328 CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)OC 1 2.352 1 3 -13.7235709395102 2806322 CC(C)(C)C(=O)NC1=CC=C(C=C1)C2=CN=CO2 1 2.203 2 2 -9.25064794556875 2806319 C1CCN(CC1)N=CC2=CC=C(C=C2)Cl 1 3.145 2 0 2.09083337832632 2806316 C1=CC(=CC=C1C2=CN=CO2)NC(=O)NC3=CC=C(C=C3)Cl 1 2.894 3 2 0.253227327305094 2806315 C1=CC(=CC=C1C2=CN=CO2)NC(=O)NC(=O)C3=CC=C(C=C3)C(F)(F)F 1 3.044 3 3 1.36123368759719 2806314 C1=CC(=CC=C1C2=CN=CO2)NC(=O)NC(=O)C3=CC=C(C=C3)Cl 1 2.766 3 3 -0.412534509148289 2806313 C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)C3=CN=CO3)Cl 1 2.766 3 3 -2.14663667299849 2806312 C1=CC=C(C=C1)C(=O)NC(=O)NC2=CC=C(C=C2)C3=CN=CO3 1 2.101 3 3 -3.03018076724445 2806309 CC1C2=C(CCN1C(=O)NC(=O)C3=CC=C(C=C3)Cl)SC=C2 1 3.391 2 2 -10.0244694544944 2806296 C1=CC(=C(C(=C1)Cl)NC(=O)NC2=CSC(=C2)[N+](=O)[O-])Cl 1 3.532 3 3 -0.52527017942467 2806295 C1=CC(=CC=C1NC(=O)NC2=CSC(=C2)[N+](=O)[O-])Cl 1 2.868 3 3 -5.58941927657168e-002 2806294 C1=CC(=CC(=C1)Cl)NC(=O)NC2=CSC(=C2)[N+](=O)[O-] 1 2.868 3 3 0.73113846913127 2806293 C1=CC=C(C(=C1)NC(=O)NC2=CSC(=C2)[N+](=O)[O-])Cl 1 2.868 3 3 -2.7694205900253 2806286 C1CCN(CC1)C(=S)NC(=O)C2=CSC(=C2)[N+](=O)[O-] 1 3.045 3 3 -12.791335607318 2806285 CC(C)CNC(=S)NC(=O)C1=CSC(=C1)[N+](=O)[O-] 1 2.784 3 3 -10.9009803293205 2806283 C=CCNC(=S)NC(=O)C1=CSC(=C1)[N+](=O)[O-] 1 2.209 3 3 -13.278034999553 2806275 C1=CC=C(C=C1)CN2C=NC=C2C3=CC=CC=C3O 1 3.074 2 1 1.38840590254074 2806268 C=CCNC(=O)ON=CC1=CSC(=C1)[N+](=O)[O-] 1 1.773 3 4 0 -5.90375183802212 2806260 CCNC(=O)NC(=O)C1=CSC(=C1)[N+](=O)[O-] 1 0.847 3 4 0 -8.52708187680787 2806259 C=CCNC(=O)NC(=O)C1=CSC(=C1)[N+](=O)[O-] 1 1.115 3 4 0 -11.8331824115506 2806257 C1=COC(=C1)CNC(=O)NC(=O)C2=CSC(=C2)[N+](=O)[O-] 1 1.264 3 5 0 -9.85795729000992 2806234 C1COCCN1N=CC2=CSC(=C2)[N+](=O)[O-] 1 0.932 3 3 0 -0.900661879093228 2806230 CC(=O)N1CCC(CC1)C2=NNC(=O)C2N=NC3=CC=CC=C3SC 1 2.097 5 2 0 -11.7152367766319 2806227 CC(=O)N1CCC(CC1)C2=NNC(=O)C2N=NC3=C(C=C(C=C3)F)F 1 1.966 5 2 0 -5.99616653601674 2806225 CC(=O)N1CCC(CC1)C2=NNC(=O)C2N=NC3=CC=C(C=C3)Cl 1 2.219 5 2 0 -5.06889849200609 2806214 CC1=NC(=CS1)CSC2=CC=C(C=C2)Cl 1 3.551 1 0 3.75276351277938 2806186 C1=C(C=C(C=C1Cl)Cl)N2C(=C(C=N2)C3=NNN=N3)N 1 2.232 7 0 0 -0.156496571967919 2806185 COC1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC=NN3 1 3.627 2 2 -1.18107608605953 2806155 CC1=CC=C(C=C1)N2C(=C(C=N2)C3=NNN=N3)N 1 1.39 7 0 0 -2.35186466835933 2806149 C1CN(CCC1C#N)C2=C(C=CC=N2)[N+](=O)[O-] 1 1.626 4 2 0 -2.58478210981906 2806148 C1CN(CCC1C#N)C2=C(C(=CC=C2)F)C#N 1 2.427 3 0 -0.160806368063346 2806145 CC1=C(SC(=N1)C2=C(C=C(C=C2)F)F)C(=O)C 1 2.935 1 1 0.244029633332872 2806140 C1=CC=C(C(=C1)N2C=C(C(=N2)N)C3=NNN=N3)Cl 1 1.982 7 0 0 -1.00280896589861 2806138 C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC=NN3 1 3.644 2 1 -0.98538276120331 2806129 CC1=NC(=CC(=C1)C(F)(F)F)N2C(=C(C=N2)C(=NOC(=O)NC3=CC=CC=C3)C)C 1 4.018 5 2 0 0.541030398004048 2806117 CNN1C=NC2=C(C1=O)SC=C2 1 0.417 3 1 0 -8.44767220778354 2806106 CC1=C(S(=O)(=O)C(C(C1)C2=CC=C(C=C2)OC)C#N)C#N 1 2.066 2 3 -2.45363411377324 2806103 CC1=C(S(=O)(=O)C(C(C1)C2=CC=CC=C2)C#N)C#N 1 2.083 2 2 -2.49302158888933 2806102 CC(=O)C1C(=O)CC(CC1=O)C2=CC=C(C=C2)Cl 1 1.968 0 3 0 -1.74426320088229 2806097 C1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)CNS(=O)(=O)C3=CC=C(C=C3)F 1 4.754 1 3 -1.18857321784856 2806086 CC1=NN(C(=C1[N+](=O)[O-])SC2=CC=CC=N2)C 1 2.288 4 2 -1.31342878935881 2806060 CC(C)(C)SCCSC1=CC(=O)CC(C1)C2=CC=CC=C2 1 4.231 0 1 -7.3158479131225 2806056 C1=CC(=CC=C1C2=CC(=O)NC(=O)O2)Cl 1 2.048 1 3 2.76248704675836e-002 2806035 CSCC(=O)NC1=CC(=C(C=C1)F)Cl 1 2.301 1 1 -5.88250585215066 2806032 C1=CC=NC(=C1)CNS(=O)(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F 1 3.371 2 4 -8.94964193436749 2806026 C1C(CN(CN1CC2=CC=CC=C2)CC3=CC=CC=C3)C#N 1 3.316 3 0 -1.02952787108882 2806021 CC1=NC(=CC(=C1)C(F)(F)F)NNC(=O)NC(=O)C2=CC=C(C=C2)Cl 1 3.694 4 2 -0.838202124477248 2806017 CC1=NC(=CC(=C1)C(F)(F)F)NNC(=O)NC(=O)C2=C(C=CC=C2OC)OC 1 2.997 4 4 0 -2.82528165843726 2806016 CC1=NC(=CC(=C1)C(F)(F)F)NNC(=O)NC(=O)C2=C(C=CC=C2Cl)F 1 3.9 4 2 -2.23447366077409 2806015 C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=NN3 1 3.613 2 0 -3.2008863922244 2805973 CC1(OC(=O)C(=CNNC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)O1)C 1 2.894 2 4 0.510542977713863 2805958 CN(C)C1=C(C(=O)OC(=C1)C2=CC=C(C=C2)F)Cl 1 2.417 1 2 3.60276553511496 2805953 CN(C)C1=C(C(=O)OC(=C1)C2=CC=C(C=C2)C#N)Cl 1 2.09 2 2 0.26514935997903 2805945 CN(C)C1=C(C(=O)OC(=C1)C2=CC(=CC=C2)[N+](=O)[O-])Cl 1 2.106 2 4 0.457048024421992 2805944 CN(C)C1=C(C(=O)OC(=C1)C2=C(C=C(C=C2)Cl)Cl)Cl 1 3.54 1 2 4.04351854655965 2805943 CN(C)C1=C(C(=O)OC(=C1)C2=CC=C(C=C2)[N+](=O)[O-])Cl 1 2.106 2 4 0.79649072229248 2805940 CN(C)C1=C(C(=O)OC(=C1)C2=CC=C(C=C2)Br)Cl 1 2.96 1 2 3.25622745513509 2805937 CN(C)C1=C(C(=O)OC(=C1)C2=CC(=C(C=C2)Cl)Cl)Cl 1 3.54 1 2 3.27407917440154 2805936 CN(C)C1=C(C(=O)OC(=C1)C2=CC=C(C=C2)Cl)Cl 1 2.875 1 2 3.89675819871805 2805928 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 2.375 2 4 -5.94856364199347 2805921 CN1C=CC=C1C(=O)NN=CC2=C(C=CC=C2Cl)Cl 1 3.603 3 1 -6.89293314972466 2805896 CC1=C(C=NN1C2=C(C(=C(C=C2)Cl)Cl)Cl)C(=O)C 1 3.935 2 1 -3.45373509430137 2805895 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=CC=C3C#N)C#N 1 3.635 3 3 -0.370125595730677 2805893 C1C(C1(Cl)Cl)CCNS(=O)(=O)C2=CC=CC=C2 1 1.99 1 2 0 -5.01918080486544 2805890 C1C(C1(Cl)Cl)CCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.654 1 2 -2.6981096853394 2805889 C1C(C1(Cl)Cl)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.181 2 3 -7.77485600780387 2805885 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=CC=C3C#N)C#N 1 3.619 3 4 0 -0.674320011176249 2805884 C1=CC(=C(C(=C1)C#N)OC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)C#N 1 4.3 3 3 1.70592145975427 2805873 C1=CC(=C(C(=C1)C#N)OC2=CC=C(C=C2)N)C#N 1 2.401 3 1 3.37367923257878 2805814 CNC(=O)NC1=CC(=CC(=C1)C(F)(F)F)NC(=O)NC 1 1.004 4 2 0 -2.47079481621325 2805802 C1C(C1(Cl)Cl)CCNC(=O)NC2=CC=CC=C2 1 2.195 2 1 -5.26367430991944 2805775 CC1=C(C(=C(C(=C1C)C)C(=O)C2CCN(CC2)C(=O)NC)C)C 1 3.882 2 2 -6.03973068540064 2805772 CC1=NC(=CC(=C1)C(F)(F)F)NNC(=O)NC(=O)C2=CC=CC=C2Cl 1 3.694 4 2 -2.57230428832745 2805758 CC(C)(C)SCCNS(=O)(=O)C1=CC=C(C=C1)C#N 1 2.165 2 2 -8.99792036857181 2805755 C1CCNC(=O)C(C1)NS(=O)(=O)C2=CC=C(C=C2)C#N 1 0.732 3 3 0 -18.7288834766441 2805738 CC1=C(N=NN1C2=C(C=C(C=C2)Cl)C#N)C(=O)C 1 2.446 4 1 -8.80598807817079 2805728 CC1=C(C(=NO1)C)S(=O)(=O)OC2=CC=C(C=C2)OC 1 1.83 1 5 0 -7.56195494539657 2805722 C1=CC(=C(C(=C1)NC(=O)NCC2=CN=CC=C2)F)NC(=O)NCC3=CN=CC=C3 1 1.133 6 2 0 -8.0903301460179 2805717 C1=CC=C(C=C1)NC(=O)NC2=C(C(=CC=C2)NC(=O)NC3=CC=CC=C3)F 1 3.421 4 2 -3.40703075045004 2805684 C1CC(N(C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CN=CC=C3 1 3.198 2 2 -0.475623115759262 2805678 CC1=NN(C2=C1S(=O)(=O)N=C(S2)SC)C 1 1.35 3 2 0 -2.89012834681666 2805673 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=CC=CS3 1 2.85 1 3 -9.48270317704807 2805670 C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CS3 1 2.866 1 2 -10.0631408336649 2805668 C1CC(N(C1)C(=O)NC2=CC=CC=C2)C3=CC=CS3 1 3.072 2 1 -5.77907412874485 2805655 C1CSCC1NC(=O)C2=CC(=CC=C2)Cl 1 2.226 1 1 -6.76178618377212e-002 2805636 CC1=CC(=NO1)NC(=O)C(=O)NCC2=CC(=CC=C2)Cl 1 1.69 3 3 0 -15.6469869875798 2805634 C1CN(CCC1C(=O)N)C(=S)NC2CC3CC2C=C3 1 1.825 3 1 0 -6.88968906698972 2805630 CC1=CC(=NO1)NC(=O)NC2=C(SC(=C2)Cl)Cl 1 2.241 3 2 -12.0112496837992 2805627 CC1=C(C(=S)NC(=C1CC2=C(C=C(C=C2)Cl)Cl)C)C#N 1 4.832 2 0 -3.44161989363689 2805621 CC1SCC(CS1)NC(=O)C2=CC=CC=C2Cl 1 2.937 1 1 -7.7803143995849 2805620 CC1SCC(CS1)NC(=O)C2=CC=C(C=C2)Cl 1 2.937 1 1 -5.58776799748122 2805617 CC1SCC(CS1)NC(=O)C2=CC(=CC=C2)Cl 1 2.937 1 1 -4.93685324392338 2805613 C1CN(CCC1C(=O)N)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1 2.197 4 5 0 1.39587555987634 2805612 C1CN(CCC1C(=O)N)C2=C(C=CC=N2)[N+](=O)[O-] 1 0.749 4 3 0 -1.84726963191673 2805611 C1CN(CCC1C(=O)N)C2=C(C(=CC=C2)Cl)C#N 1 2.009 3 1 -0.826043144805703 2805608 CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(N(N=C2C)C)Cl)C 1 3.328 2 3 -1.92847819576115 2805584 CC1SCC(=NOCC2=CC=CC=C2)CS1 1 2.527 1 1 -2.59747706194369 2805572 C1CCNC(=O)C(C1)NC(=O)NC2=CC=CC=C2 1 1.058 3 2 0 -15.9330858748713 2805571 C1CCNC(=O)C(C1)NC(=O)NC2=CC=C(C=C2)Cl 1 1.723 3 2 0 -13.9544330459112 2805564 CN(C)C=NC1=CC=CC=C1C2C=NNC2=O 1 0.264 4 1 0 -4.93247747338215 2805561 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)NC(=O)NC3CCSC3 1 3.345 3 2 -5.64428846082065 2805556 CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)C 1 2.606 2 1 -0.22424030242888 2805552 CC1=C(C(=NN1C)C)NC(=O)C2=CC=CC=C2NC(=O)NC3=CC=CC=C3 1 2.385 5 2 0 -8.54492817749701 2805549 CC1SCC(=NOCC2=C(C=CC=C2Cl)Cl)CS1 1 3.856 1 1 -3.61843838233681 2805539 COC(CNC1=C(C(=C(C=C1)[N+](=O)[O-])NCC(OC)OC)C#N)OC 1 1.096 4 6 0 -10.1958715553522 2805537 CC1=C(C(=NN1C)C)NC(=O)/C(=C\N(C)C)/C#N 1 2.2e-002 5 1 0 -9.65611222305772 2805536 C=C(C1=CC=CC=C1O)N2C=CN=C2 1 1.513 2 1 0 0.913463951379122 2805518 C1CC(CN(C1)C(=O)NC2=CC=C(C=C2)Cl)CN3C=CC=C3 1 3.32 3 1 -6.10424713973593 2805513 CCC1=C(SC(=C1CC)C(=O)N)C#N 1 2.84 2 1 -4.38121677197657 2805504 CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC2=C(N(N=C2C)C)C 1 3.21 3 2 1.57895884774804 2805499 CC1=C(N=NN1C2=C(C=C(C=C2)F)F)C(=O)C 1 2.313 3 1 -8.24306926344012 2805495 CN(C1CC2CC1C=C2)C(=O)C(Cl)Cl 1 1.931 1 1 0 1.79684025385294 2805464 CC1=C(C=NN1)C2=CC=C(C=C2)OC 1 1.921 2 1 0 2.01014218528883 2805460 CC1=C(C=NN1)C2=CC=CC=C2Cl 1 2.602 2 0 1.70027163519143 2805459 CC1=C(C=NN1C2=C(C=C(C=C2Cl)Cl)Cl)C(=O)C 1 3.935 2 1 -2.4200305766636 2805457 CC1=CN(N=C1C2=CC=CS2)C(=O)NC 1 2.646 3 1 -3.10136552073551 2805449 CC1=C(SC(=N1)C)C2=NN(C=C2)C(=O)NC(C)C 1 2.223 4 1 -4.82223506194268 2805446 CC(C)(C)C(=O)NCC1=C(C=CC=C1N(C)C)N(C)C 1 2.828 3 1 -13.8665223570726 2805442 CN1C(=NC(=N1)NS(=O)(=O)C2=C(C=C(C=C2)F)F)SC 1 2.299 4 2 -3.27081637477574 2805439 CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC2=NN(C(=N2)SC)C 1 3.703 4 2 -0.631764167893969 2805433 CN(C)C1=C(C(=CC=C1)N(C)C)CNC(=O)NC(=O)C2=C(C=CC=C2F)F 1 3.137 4 2 -10.9818167767846 2805423 CC1=C(C(=NN1C)CC=NO)[N+](=O)[O-] 1 0.702 4 3 0 2.56341178008971 2805387 CN(N1C=NC2=CC=CC=C2C1=O)S(=O)(=O)C 1 0.122 3 3 0 -4.95454234032662 2805381 C1CCN(C1)S(=O)(=O)C2=C(SC(=C2Br)Cl)Cl 1 2.736 1 2 -6.66379869302004 2805377 CC1=CC(=NO1)NS(=O)(=O)C2=C(SC(=C2)Cl)Cl 1 2.036 2 3 -10.3334062612211 2805371 CN(C(=O)NC1=CC=C(C=C1)Cl)N2C=NC3=CC=CC=C3C2=O 1 2.568 4 2 -1.66869540077701 2805370 CN(C(=O)NC1=CC=CC=C1)N2C=NC3=CC=CC=C3C2=O 1 1.903 4 2 0 -3.81576122674958 2805365 C1CCN(C1)S(=O)(=O)C2=C(SC(=C2)Cl)Cl 1 1.988 1 2 0 -8.57784616592317 2805358 CSC1=CC=CC=C1NC(=O)C2=C(SC(=C2)Cl)Cl 1 3.736 1 1 -7.23151047405174 2805353 C1=CC(=C(C=C1F)F)NC(=O)C2=C(SC(=C2)Cl)Cl 1 3.605 1 1 -1.42849385852485 2805352 C1=CC=C(C(=C1)NC(=O)C2=C(SC(=C2)Cl)Cl)F 1 3.4 1 1 -2.85357473947466 2805344 CC1=CC=CN(C1=O)CC2=C(C=CC=C2Cl)Cl 1 3.24 1 1 -5.57006137827098 2805343 CC1=CC=CN(C1=O)CC2=C(C=CC=C2Cl)F 1 2.781 1 1 -7.03057134702216 2805330 C1=CC2=C(C=C1Br)C=C(O2)C3=CC=NN3 1 3.427 2 1 1.87530050402251 2805326 CC1=CC(=NO1)N2N=C(N=N2)CC(=NOC(=O)NC)C 1 0.353 7 3 0 -10.1869639969429 2805323 CC1=CC(=NO1)N2N=C(N=N2)CC(=NO)C 1 0.534 6 2 0 -6.07611140697461 2805322 CC1=CC(=NO1)N2N=C(N=N2)CC(=O)C 1 0.467 5 2 0 -10.0433887274776 2805318 CC1=CC(=NO1)N2C=NC(=N2)C3=CN(N=C3C)C 1 1.063 6 1 0 -1.17335084196116 2805308 CC1=CC(=NO1)NC(=O)CSC 1 0.57 2 2 0 -17.0399178552859 2805300 C1=CC=C2C(=C1)C=C(O2)C3=CC=NN3 1 2.678 2 1 1.87829181050728 2805294 CC1=C(SN=N1)C(=O)NN=CC2=CC=CC=C2Cl 1 2.466 4 1 -9.75024046147953 2805289 CC1=CC(=NO1)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C 1 3.169 3 3 -20.3002844100413 2805284 CC1=C(C(=O)OC1C2=C(C=CC=C2Cl)Cl)O 1 3.238 0 3 -3.36865625330967 2805277 C1COCCN1C(=S)SCC2=C(C(=CC=C2)CSC(=S)N3CCOCC3)F 1 5.327 2 2 -6.73378168535204 2805256 C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=CS4 1 3.252 1 1 -8.54864921040289 2805253 CC1=CC(=CC(=C1F)C)S(=O)(=O)N=C(C2=CC=C(C=C2)C(=O)N)N 1 1.777 3 3 0 -3.63794517512663 2805212 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)C3=CC=CC=C3O 1 4.408 1 3 -3.8152936103313 2805208 CC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.415 1 6 0 -6.74736064854347 2805205 CC1=C(C(=NO1)C2=CC=CC=C2)C(C3=CC=C(C=C3)F)O 1 3.589 1 2 -0.340380787394759 2805204 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(C3=CC=C(C=C3)F)O 1 4.254 1 2 0.222955820973831 2805200 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(C3=CC=C(C=C3)F)O 1 4.459 1 2 -4.18137574044927 2805197 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(C3=CC=C(C=C3)F)O 1 4.918 1 2 -4.44438319383158 2805193 CCOC(=O)/C(=C/NC1=C(SC=C1)C(=O)OC)/C#N 1 1.491 2 4 0 -10.1151621833079 2805191 CC1=C(C(=O)N(N1)C)C(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 2.011 3 3 -8.62227244933426 2805190 CC1=C(C(=O)N(N1)C)C(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C 1 2.675 3 3 -12.4134080133268 2805189 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)C3=CC=C(C=C3)F 1 4.856 1 2 -6.08999758578584 2805187 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)C3=CC=C(C=C3)F 1 5.314 1 2 -6.35300503916815 2805181 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(C3=CC=CC=C3)O 1 4.713 1 2 -7.06936035127673 2805179 C1=CSC(=C1)C(=O)NCCC2=CC=C(C=C2)Cl 1 3.56 1 1 -5.75716024867088 2805176 C1=CC(=CC=C1CCNC(=O)NC2=CC=C(C=C2)Cl)Cl 1 4.179 2 1 -4.6362620781555 2805173 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3 1 4.445 1 2 -4.23780706516261 2805172 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)C3=CC=CC=C3 1 4.65 1 2 -7.17143834889724 2805168 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)C3=CC=CC=C3 1 5.109 1 2 -7.95792385866753 2805167 CN(C)/C=C(\C#N)/C(=O)NC1=CC(=C(C=C1)F)Cl 1 1.814 3 1 0 -7.51029822795893 2805141 C1CSCCN1CC2=CC(=CC(=C2)Br)Br 1 3.832 1 0 2.59176512072198 2805117 CC(C)(C)C1=CSC(=N1)SC2=NC=C(C=C2)[N+](=O)[O-] 1 4.057 3 2 -5.78753189068648 2805112 CC(C)(C)C1=CSC(=N1)SC2=C(C=CC=N2)[N+](=O)[O-] 1 4.057 3 2 -7.27047280195402 2805111 C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2OC3=C(C=C(C=C3)Cl)Cl 1 4.753 1 3 -8.2924133940158 2805103 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=NC(=CS3)C(C)(C)C 1 5.316 3 2 -13.6178318355423 2805058 CC(C)(C)SCCNS(=O)(=O)C1=CC=C(C=C1)Cl 1 2.95 1 2 -4.55018252831431 2805038 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCCOC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.652 3 8 0 -10.0921083765085 2805017 COC(=O)C1=C(N(N=N1)C2=CC=CC(=C2)C#C)C3=CC=CC=C3 1 4.809 3 2 -4.03696442064149 2805010 CC1=C(N=NN1C2=CC=CC(=C2)C#C)C(=O)C 1 3.03 3 1 -4.26876412553902 2805007 C1=CC=NC(=C1)SC2=C(C=C(C=C2)C#N)[N+](=O)[O-] 1 3.11 3 2 -4.52803084190519 2805005 C1=CC=NC(=C1)CCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-] 1 2.308 4 2 -6.93039851317233 2805004 C1COCCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-] 1 1.453 3 3 0 -4.948676008824 2804998 CNC1=NN=C(S1)SC2=C(C=CC=N2)[N+](=O)[O-] 1 1.583 5 2 0 -11.8881651376164 2804987 CC1=CC(=NN1C2=CC=CC=C2C#N)C 1 2.363 3 0 -5.51936808206526 2804981 C1CSCCN1C(=O)C2=CC=CC=C2Cl 1 2.34 1 1 -5.77506575143215 2804980 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCSCC3 1 3.092 2 2 -11.3291595784235 2804978 C1CSCCN1C(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.005 1 1 -1.42952808263522 2804975 CN(C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])NC2C3=CC=CC=C3C(=O)O2 1 3.705 4 6 0 -1.5779479853457 2804973 CN(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])NC2C3=CC=CC=C3C(=O)O2 1 3.533 3 4 0 -2.14272752459552 2804972 CN(C1=CC=CC=C1[N+](=O)[O-])NC2C3=CC=CC=C3C(=O)O2 1 2.869 3 4 0 -7.76583731805047 2804957 CC1=C(C(=C(C(=C1C)C)CN2CCSCC2)C)C 1 4.767 1 0 3.34247379582611 2804956 CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCSCC2)C)C 1 3.81 1 2 -7.17940565420881 2804952 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)NC(=O)N3CCSCC3 1 3.459 3 2 -7.63612278361315 2804949 CC1CN(CC(O1)C)C(=NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C)N 1 2.937 4 3 0 -14.5948118715079 2804946 CC1CN(CC(O1)C)C(=NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C)N 1 3.396 4 3 0 -15.3812973812781 2804939 C1=CC(=C(N=C1)SC2=NN=C(S2)N)[N+](=O)[O-] 1 1.5 5 2 0 -7.48758474359397 2804934 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N=C(N)N3CCCC3 1 2.956 4 2 -10.1344509536208 2804933 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N=C(N)N3CCCC3 1 3.414 4 2 -10.920936463391 2804921 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N=C(N)N3CCOCC3 1 2.641 4 3 0 -12.8437014273347 2804911 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCSCC3 1 3.551 2 2 -12.1156450881938 2804888 C1=CN(C=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl 1 4.522 2 2 -0.524466773317846 2804876 COCCCNC(=O)C1=NC2=CC=CC=C2C(=O)N1NC(=O)NC3=C(C=CC=C3Cl)Cl 1 2.391 5 4 0 -13.559712862061 2804873 C1CCN(C1)C(=O)CCCC(=O)N2CCCC2 1 0.587 2 2 0 -9.30294689891808 2804813 CC1=C(C(=NN1C(C)(C)C)C)C=NOC(=O)NC2=CC=C(C=C2)Cl 1 3.726 4 2 1.85291662971872 2804819 CC1=C(C(=NN1C(C)(C)C)C)C=NOC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 4.39 4 2 1.65100663234532 2804820 CC1=C(C=C(C=C1)NC(=O)ON=CC2=C(N(N=C2C)C(C)(C)C)C)Cl 1 4.212 4 2 0.274477198706826 2804821 CC1=C(C(=NN1C(C)(C)C)C)C=NOC(=O)NC2=CC=C(C=C2)OC 1 3.045 4 3 0 -0.311005321377188 2804824 C1=CC(=C(C(=C1)Cl)CSC2=C(C=CC=N2)[N+](=O)[O-])F 1 4.108 2 2 -10.0346329055149 2804862 CC(C)(C)N1C=NN=C1SC2=NC=C(C=C2)[N+](=O)[O-] 1 2.274 5 2 0 -7.44606401812355 2804861 CC(C)(C)N1C=NN=C1SC2=C(C=CC=N2)[N+](=O)[O-] 1 2.274 5 2 0 -8.92900492939109 2804858 CC(C)(C)N1C=NNC1=S 1 1.29 3 0 0 -4.85968347363261 2804855 CN(C)C=NS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl 1 2.241 2 2 -3.3597153599383 2804812 CN(C1=C(C=CC=N1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2F 1 2.331 4 3 0 -9.94127048765614 2804810 C1=CC(=CC=C1NC(=O)NCCCN2C=CN=C2)Cl 1 1.414 4 1 0 -3.29175920039153 2804809 C1=CC(=C(C(=C1)F)C#N)NCCCN2C=CN=C2 1 1.527 4 0 0 -1.49065858775232 2804805 C1=CC(=C(C(=C1NCCO)C#N)NCCO)[N+](=O)[O-] 1 0.141 4 4 0 -6.31086494862275 2804771 CN(C1=NC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2F 1 1.694 4 3 0 -9.35759370200379 2804764 CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)Br 1 2.999 3 3 -3.85441361757702 2804757 CC(=O)CCC1=CC(=C(C=C1)OC(=O)C2=C(C=CC=C2Cl)F)OC 1 4.336 0 4 -10.7671061111526 2804749 C1=CC(=C(C=C1Cl)Cl)OCC(CN2C=CN=C2)O 1 2.373 2 2 2.86563784578494 2804738 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)Cl)C#N 1 4.421 2 3 -2.45507262413547 2804735 CCN(CC)C(=O)OC1=C(C=C(C=C1)Br)C(=O)NC2=CC(=C(C=C2)F)Cl 1 4.9 2 3 -4.84756866109785 2804728 CCN(CC)C(=O)OC1=C(C=C(C=C1)Br)C(=O)NC2=C(C=C(C=C2)F)F 1 4.441 2 3 -6.34565411961294 2804727 CN(C)C(=O)OC1=C(C=C(C=C1)Br)C(=O)NC2=CC(=C(C=C2)F)Cl 1 4.202 2 3 -2.9785540173788 2804716 C1=C(C=C(C=C1Cl)Cl)NC(=S)NC(CO)(CO)CO 1 2.107 2 3 -4.25111192352465 2804715 CC1CN(CC(O1)C)C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)C(=O)O 1 2.244 2 5 0 -9.60783475789263 2804709 CC1CC(CN(C1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)O)C 1 3.665 2 4 -8.16317001615317 2804700 CC1CN(CC(O1)C)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)O 1 2.552 2 5 0 -9.35617408608748 2804699 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)NC(=O)N(C)N 1 2.329 4 2 -3.75407027336315 2804698 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)NC(=O)NN(C)C3=NC=C(C=C3)[N+](=O)[O-] 1 3.272 6 4 0 -9.1530947662413 2804678 CC(=O)/C(=C(\C1=C(C=CC=C1Cl)F)/N)/C(=O)OC 1 1.516 1 3 0 -2.27773527911515 2804676 CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O 1 1.516 2 4 0 -6.85576089262541 2804670 COC(=O)CC1(N(C(=O)C2=C(O1)C=CC(=C2)Br)C3=CC(=CC(=C3)Cl)Cl)C(=O)OC 1 4.753 1 6 0 -1.13024360643085 2804658 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)NC(=O)NCCSC 1 3.435 3 2 -11.5859665767587 2804646 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N(CCCOC)CCC#N 1 3.029 3 3 -17.2695916323329 2804629 CC1=C(SN=N1)C(=O)NC(=O)NC2=CC(=C(C=C2)F)Cl 1 2.383 4 2 -6.45495418394793 2804613 CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C(F)(F)F 1 2.575 2 1 -2.81464266910496 2804600 C1=CC(=CC=C1CNC2=NC=C(C=C2)[N+](=O)[O-])Cl 1 2.697 3 2 -2.74582523264729 2804594 CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NCCC2=CC=CC=N2)C)C 1 4.068 2 2 -5.64134369557958 2804593 CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NCCC2=CC=NC=C2)C)C 1 3.926 2 2 -3.67860499928178 2804545 C1=CC(=CN=C1)CNC2=CC=C(C=C2)Cl 1 2.735 2 0 -1.03544563169918 2804511 C1=CC(=CN=C1)CNC2=C(C=C(C=C2)Cl)Cl 1 3.4 2 0 0.822648999843243 2804509 C1=CC(=CC(=C1)Cl)C(=O)NNC(=O)CON=CC2=C(C=C(C=C2)Cl)Cl 1 3.582 3 3 -2.44499720148996 2804502 C1=CC(=C(C(=C1)Cl)C=NOCC(=O)NNC(=O)C2=CC=C(C=C2)Cl)Cl 1 3.582 3 3 -6.19241012242629 2804501 C1=CC(=C(C=C1Cl)Cl)C=NOCC(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.246 3 3 -3.03287256497328 2804497 C1=CC(=CC(=C1)Cl)C(=O)NNC(=O)CON=CC2=C(C=CC=C2Cl)Cl 1 3.582 3 3 -5.96526250304786 2804471 CC1=C(SC(=C1C)C(=O)N)C#N 1 1.928 2 1 0 -2.91690550800649 2804466 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)OCC(=O)C3=CC=CC=C3 1 4.816 1 4 -16.5724229962385 2804444 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC(=S)N3CCOCC3 1 4.01 3 3 -20.0552161310699 2804402 CC1(CC(=O)C(=NNC2=C(C(=CC=C2)F)C#N)C(=O)C1)C 1 2.556 3 2 -10.8557091996371 2804396 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)ONC(=O)C3=CC=CO3 1 3.143 2 5 0 -9.3871848212965 2804392 C1=CC2=C(C(=C1)F)C(=NC3=C(N=NN23)C#N)N 1 0.929 6 0 0 -7.57445450142519 2804374 CC1=CC(=NN1C2=C(C(=CC=C2)Cl)C#N)C 1 3.027 3 0 -6.40877855450915 2804373 C1CCN(C1)C2=C(C(=C(C=C2)Br)Cl)C#N 1 3.744 2 0 0.444803039599079 2804367 C1CCN(C1)C2=C(C(=CC=C2)Cl)C#N 1 2.996 2 0 -0.54219125237955 2804358 C1=CC(=C(C(=C1)F)C#N)NCC2=CN=CC=C2 1 2.156 3 0 -4.65188144093282 2804352 CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1Cl)Cl)Cl 1 2.935 2 2 -3.05342359918183 2804346 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)ONC(=O)C3=CC=CC=C3 1 3.748 2 4 -10.2081989905349 2804339 C1COCCN1C(=S)NC2=C(C=C(C=C2F)F)F 1 3.352 2 1 -9.84067391245648 2804334 C1=CC(=C(C(=C1)Cl)C(=O)ONC(=O)C2=CC(=C(C=C2)Cl)Cl)F 1 4.531 1 3 -3.6411392803075 2804329 C1=CC=C(C=C1)C2=C(SN=N2)C(=O)N 1 1.615 3 1 0 -3.00140840340851 2804319 CC1=C(SN=N1)C(=O)NC2CCCCC2 1 2.015 3 1 -12.8833958317524 2804318 CC1=C(C=C(C=C1)NC(=O)C2=C(N=NS2)C)Cl 1 2.884 3 1 -10.2095946743536 2804298 CC1=C(N=NS1)C(=O)NC(=S)NC2=CC=CC=C2 1 2.885 4 1 -10.7677467311379 2804286 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)ONC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 6.092 2 4 -8.46064980719964 2804278 CC(=O)C1=CC(=C(C=C1)OC)CSCC2=C(C=CC(=C2)C(=O)C)OC 1 3.409 0 4 -8.09905196441925 2804275 CC1=C(SN=N1)C(=O)NNS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F 1 2.578 4 3 0 -13.2225843229314 2804256 COC1=CC(=C(C=C1)OC2=CC(=CC=C2)OC)C(=O)O 1 2.987 0 5 -2.68991605480131 2804241 CS/C(=C(/C#N)\C(=O)C1=CC=CO1)/NC2=C(C=CC(=C2)Cl)Cl 1 4.829 2 2 -8.9519557020446 2804225 CC1=C(N=NN1C2=CC=CC(=C2)C#N)C(=O)C 1 1.781 4 1 0 -9.00916630481747 2804224 CC1=C(N=NN1C2=C(C=CC=C2F)F)C(=O)C 1 2.313 3 1 -8.24302636030081 2804214 C1=CC=C2C(=C1)C(=NC3=C(N=NN23)C4=CC=C(C=C4)Br)N 1 3.111 5 0 0.49247772488139 2804211 CC1=C(N=NN1C2=CC=CC=C2C#N)C(=O)C 1 1.781 4 1 0 -10.703356041302 2804210 C1=CC=NC(=C1)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.895 2 2 0.57932383552417 2804201 CN(C)C1=C(C=C(C=C1F)C(=O)NCC2=CC=CC=C2)F 1 3.194 2 1 -7.78380170737847 2804197 C1COCCN1C(=S)NC2=C(C=C(C=C2F)Br)F 1 3.895 2 1 -7.88996564605781 2804192 CN(C)C1=C(C=C(C=C1F)C2=NNN=N2)F 1 1.872 5 0 0 -0.938946843752436 2804180 C1=CC(=CC=C1NC(=O)C2=CC=C(O2)CSC3=CC=C(C=C3)Cl)F 1 5.083 1 2 -0.561071933175632 2804166 CC(=O)NC1=C(C=C(C=C1F)Br)F 1 2.109 1 1 -0.982675365133118 2804157 C1C2CC(C1C=C2)NC(=S)N 1 1.383 2 0 0 -0.21189817310796 2804133 CC(=NNC(=O)N)C1=C(C=CC=C1F)F 1 1.2 3 1 0 -6.13691623933361 2804131 C1CN(CCC1C2CCN(CC2)C(=S)NC3=CC=CC=C3)C(=S)NC4=CC=CC=C4 1 7.15 4 0 -9.65315013520389 2804116 C1=CC=C(C=C1)C2=C(N=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N 1 2.723 5 3 0 -7.29267716203329 2804113 C1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC(=C3)C(F)(F)F)C(=O)N 1 3.771 4 1 -1.05870663557555 2804111 C1=CC=C(C=C1)C2=C(N=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O 1 3.351 4 4 0 -7.440017036156 2804109 CC1(CC(=O)C(=NNC2=C(C=CC=C2F)F)C(=O)C1)C 1 2.882 2 2 -6.94263668720784 2804098 CC1=CC(=C(C(=C1)CC(C)(C)C(=O)O)C(=O)NC2=CC(=CC=C2)OC)C 1 4.57 1 4 -6.3451523451325 2804084 C1=CC=C(C=C1)C2=C(N=NN2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)O 1 5.341 3 2 -3.8984185822119 2804076 C1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC(=C3)C(F)(F)F)C(=O)O 1 4.399 3 2 -1.20604650969825 2804064 CC1=C(C(=C2C(=C1C)NC(=N2)SC)C)C 1 4.373 2 0 1.32879788302021 2804061 CC1=C(C(=C2C(=C1C)N=C(C(=N2)C)C)C)C 1 3.804 2 0 -0.661376879606579 2804057 CC1=C(C(=C2C(=C1C)NC(=S)N2)C)C 1 4.481 2 0 -2.27355547432302 2804055 C1COCCN1C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3Cl 1 1.897 3 2 0 -4.87584943150084 2804054 C1COCCN1C2=NC=C(C=C2)NC(=O)C3=C(C=CC=C3F)F 1 1.644 3 2 0 -6.23560346214739 2804035 C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)NC(=O)C3=C(C=CC=C3F)F 1 2.666 3 2 -16.3696765006715 2804010 CC1(CC(=O)C(=NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C1)C 1 3.308 3 4 0 -6.5419457186818 2803962 CSC1=C(C(=O)NC(S1)C2=CC=CC=C2O)C#N 1 2.425 2 2 -3.31006060972675 2803956 COC1=C(C(=CC=C1)OC)C(=O)NNC(=O)C2=CN=CC=C2 1 0.688 3 4 0 -8.38928532916817 2803954 C1=CC(=CN=C1)C(=O)NNS(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl 1 2.417 3 3 -7.18373835706558 2803952 C1=CC(=C(C(=C1)F)C2=NC(=NO2)C3=CC=C(C=C3)Cl)F 1 4.22 2 1 6.94864527143035 2803947 COC(=S)NC1=CC=CC(=C1)C(F)(F)F 1 3.907 1 1 2.0863060874385 2803946 CC1=C(C=C2C(=C1[N+](=O)[O-])C(CC2(C)C)(C)C)NN=C3C(=O)CC(CC3=O)(C)C 1 4.825 3 4 0 -6.28863881607659 2803945 C1=CC(=CC(=C1)NC(=S)NC2=CC(=C(C=C2)Cl)Cl)C(F)(F)F 1 6.637 2 0 2.35021822539716 2803944 CC1=C(C=C2C(=C1[N+](=O)[O-])C(CC2(C)C)(C)C)NN=C(C(=O)C)C(=O)C 1 3.861 3 4 0 0.57654299888755 2803943 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=CC=C2NC(=O)C3=C(C=CC=C3OC)OC 1 3.333 2 6 0 -7.85137380913488 2803942 C1=CC(=C(C(=C1)F)C(=O)NC2=NC(=CC=C2)NC(=O)C3=C(C=CC=C3F)F)F 1 4.149 3 2 -4.96579585656331 2803941 C1=CC=C(C(=C1)NC(=O)C2=C(C=CC=C2F)F)NC(=O)C3=C(C=CC=C3F)F 1 4.221 2 2 -7.21236860411788 2803936 CC(CCC(C)OC(=O)C1=CC=CC=C1C(=O)O)OC(=O)C2=CC=CC=C2C(=O)O 1 3.846 0 8 0 -8.713328511858 2803910 CC1=C(C=C2C(=C1N)C(CC2(C)C)(C)C)N3CCCC3 1 4.165 2 0 3.27190078404311 2803887 C1=CC=C(C(=C1)C(=O)O)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1 4.309 2 6 0 -0.256426453938491 2803884 CCCCNC(=S)NC1=CC=C(C=C1)F 1 4.046 2 0 -9.82448268352198 2803879 C1=CC(=CC(=C1)F)NC(=S)NCCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1 4.906 5 4 0 -5.56716810715132 2803877 C1=CC(=C(C=C1NC(=S)NCCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])Cl)Cl 1 6.029 5 4 0 -5.45931141350551 2803865 CCOC(=O)C(C1=CC=CC=C1)C(C2=CC=CC=N2)NC3=CC(=C(C=C3)Cl)Cl 1 5.549 2 2 -6.68455805724728 2803853 CCOC(=O)C(C1=CC=CC=C1)C(C2=CC=CC=N2)NC3=CC=CC=C3 1 4.22 2 2 -8.59743735070011 2803848 CCOC(=O)C(C1=CC=CC=C1)C(C2=CC=CC=N2)NC3=CC=C(C=C3)F 1 4.426 2 2 -7.43587472481327 2803847 CCOC(=O)C(C1=CC=CC=C1)C(C2=CC=CC=N2)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 6.105 2 2 -4.90159708001831 2803829 C1CCN(CC1)C2=C(C(=C(C=C2)[N+](=O)[O-])N3CCCCC3)C(=O)O 1 3.513 3 4 0 -3.25870529148511 2803827 C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=CC=CC=N3 1 2.275 3 1 -8.00212787994785 2803820 CC1=CC(=NC=C1)NC(=O)CSC2=CC=CC=N2 1 2.271 3 1 -8.85660040583124 2803817 COC1=CC2=C(C=C1)N3C=CC=C3C(N2)C4=CC(=CC(=C4O)Cl)Cl 1 5.135 2 2 -2.66316706285006 2803757 CC1N=C(N2N1C(=NC2C)SC)SC 1 1.836 4 0 0 -2.0478388770933 2803750 COC1=CC=C(C=C1)C=NNC(=S)N[C@H]2CC3CCC2C3 1 3.816 3 1 -3.49934156677038 2803743 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC=CS3 1 3.183 3 2 -9.0235903977868 2803736 CC1=C(C=C(C=C1)NC(=O)C2=C(C=C(C=C2CC(C)(C)C(=O)O)C)C)C 1 5.559 1 3 -6.87234130521912 2803729 CC1=CC(=C(C(=C1)CC(C)(C)C(=O)O)C(=O)NC2=CC=CC=C2)C 1 4.587 1 3 -6.30570776482773 2803710 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN 1 1.777 4 2 0 -18.2002793013253 2803707 C1CC2CC1CC2NC(=S)NN=CC3=CC=CO3 1 3.228 3 1 -3.43121003299268 2803702 C1=CC(=CC=C1C2=CSC(=N2)CC(=NO)N)F 1 1.948 3 1 0 7.89401820853161 2803698 CC1=CC(=C(C2=C1C(=O)C(C2)(C)C)C(=O)OC)C 1 3.602 0 3 -7.49318468868553 2803689 C1=CC(=CC=C1C2=CSC(=N2)CC(=NO)N)Cl 1 2.407 3 1 9.00413987365318 2803687 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(S2)SCC3=C(C=CC(=C3)C(=O)C)OC 1 4.543 2 4 -13.1746895312644 2803679 CN(C)C1=CC(=C(C=C1)C=NNC(=S)NCCCOC)Cl 1 2.989 4 1 -12.0215300634911 2803678 COCCCNC(=S)NN=CC1=CC2=C(C=C1)OCO2 1 1.931 3 3 0 -13.0564084203248 2803675 COCCCNC(=S)NN=CC1=CC=C(C=C1)OC 1 2.146 3 2 -11.6223364034545 2803674 COCCCNC(=S)NN=CC1=CC2=CC=CC=C2C=C1 1 3.071 3 1 -9.45853826191476 2803673 CC1CCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 3.32 3 1 4.81935898692959 2803660 COCCCNC(=S)NNC(=S)NC1=CC(=CC=C1)Cl 1 3.418 4 1 -8.43191252582444 2803659 COCCCNC(=S)NNC(=S)NC1=CC=C(C=C1)OC 1 2.737 4 2 -11.4249751427646 2803658 COCCCNC(=S)NNC(=S)NC1=CC=CC=C1 1 2.754 4 1 -11.3374359209032 2803657 COCCCNC(=S)NNC(=S)NCCCOC 1 0.83 4 2 0 -10.7058299623876 2803619 CC1=CC(=CC(=C1Cl)C)OCC2=C(C=CC(=C2)C(=O)C)OC 1 4.757 0 3 -3.27303834143666 2803618 CC(=O)C1=CC(=C(C=C1)OC)COC2=C(C=C(C=C2)Cl)Cl 1 4.449 0 3 -2.86414368811459 2803617 CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C(=O)C)OC)Cl 1 4.271 0 3 -3.67022120680596 2803585 C1=CSC(=C1)C=NOCC2=CC=C(C=C2)Cl 1 3.897 1 1 2.07570607446255 2803576 CCOC1=CC=C(C=C1)C=NNC(=S)NC2CC3CC2C4C3CC=C4 1 4.309 3 1 -5.53790437819716 2803568 CC1=C(C(=C(C(=C1C)C)CON=CC2=CC=CS2)C)C 1 5.663 1 1 0.24727613528646 2803567 C1=CC(=C(C(=C1)Cl)CON=CC2=CC=CS2)Cl 1 4.561 1 1 -1.67946306782176 2803562 CC1=C(C(=C(C(=C1C)C)C(=O)CCC2=CC(=CC=C2)NC(=O)CCC(=O)O)C)C 1 5.121 1 4 -9.33180796934806 2803560 COC1=CC(=C(C=C1)OC)C(=O)C2=CC=C(C=C2)Cl 1 3.865 0 3 -1.69893851951398 2803554 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)ONC(=O)C3=CC=CC=C3 1 4.207 2 4 -10.9946845003051 2803547 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)F 1 4.394 3 4 0 -6.30585928548637 2803526 CC(=O)C1=CC(=C(C=C1)OC)CSC2=CC=CC=N2 1 3.067 1 2 -10.2419424475932 2803517 CC1=C(C(=NO1)C2=CC=CC=C2)NC(=O)N(CCC#N)CC3=CC=CC=C3 1 3.261 4 2 -6.4467865931915 2803514 CC1=C(C(=C(C(=C1C)C)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C)C 1 6.079 1 4 -6.80134519337704 2803498 C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)F 1 3.968 1 3 -3.97885267713255 2803497 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O)OC 1 4.058 1 5 -11.7867491750617 2803484 C1C2CC(C1C=C2)NC(=S)N(CCC#N)CCC#N 1 2.308 4 0 -7.07647655549332 2803479 COC1=CC(=C(C=C1N2C(=O)C=CC2=O)OC)Cl 1 2.019 1 4 -1.49760533467116 2803439 CCOC1=CC=C(C=C1)C=NNC(=S)NC2CC3CC2C=C3 1 3.721 3 1 -2.83733739438872 2803423 C1CC2CC1CC2NC(=S)NNC(=O)C3=CC=C(C=C3)Cl 1 3.685 3 1 -3.51675948810216 2803422 C1CC2CC1CC2NC(=S)NN=CC3=CC4=C(C=C3)OCO4 1 3.601 3 2 -4.76464073473118 2803421 COC1=CC=CC(=C1OC)C=NNC(=S)NC2CC3CCC2C3 1 3.8 3 2 -3.59730330000718 2803410 C1CC2CC1CC2NC(=S)NNC(=S)NC3CC4CC3C=C4 1 3.726 4 0 0.275984016161673 2803409 CCOC1=CC=C(C=C1)C=NNC(=S)NC2CC3CCC2C3 1 4.165 3 1 -4.26556471847841 2803407 C1CC2CC1CC2NC(=S)NN=CC3=CC=CS3 1 3.786 3 0 -4.43126508844964 2803384 CNC(=S)NNC(=O)CSCC1=C(C=CC=C1Cl)Cl 1 3.149 3 1 -15.0447075431266 2803375 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.684 3 7 0 -18.3694554457816 2803369 CCN1C(C(CCC1=O)C(=O)O)C2=CC=C(C=C2)OC 1 1.555 1 4 0 -6.90230209664997 2803358 C1=CC=C(C=C1)CC(C2=CC=CC=C2)(C3=CC=CC=C3N)O 1 3.852 1 1 0.179447544616785 2803332 COC1=CC=C(C=C1)NN=C(C#N)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.989 4 4 0 -8.40907690250883 2803330 C1C2CC(C1C=C2)NC(=S)N(CCC#N)CC3=CC=NC=C3 1 2.762 4 0 -7.85307903671522 2803328 C1C2CC(C1C=C2)NC(=S)N(CCC#N)CC3=CN=CC=C3 1 2.762 4 0 -9.14337612170339 2803323 CNC(=S)NNC(=O)C1=CC=C(C=C1)N(C)C 1 1.581 4 1 0 -11.4515458571052 2803312 CN(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 2.698 3 2 -4.23933861287677 2803297 COC1=CC(=CC(=C1OC)OC)C=NNC(=S)NC2CC3CC2C=C3 1 3.339 3 3 -5.4158613349234 2803242 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2N3CCCCC3 1 3.644 2 4 -8.79273412369677 2803240 CCOC(=O)C1CCN(CC1)C(=S)NC2CC3CC2C=C3 1 3.026 2 2 -10.1732118380969 2803232 C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2N3C=CC=C3 1 5.242 3 0 -6.31032813684619 2803217 C1COCCN1CCCNC(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.606 4 5 0 -18.0347456232178 2803212 C1C2CC(C1C=C2)NC(=S)NNC(=S)NC3CC4CC3C=C4 1 3.281 4 0 -0.985834952704344 2803205 C1C2CC(C1C=C2)NC(=S)NNC(=O)C3=CN=CC=C3 1 1.426 4 1 0 -5.89369166479426 2803204 C1C2CC(C1C=C2)NC(=S)NNC(=O)C3=CC=NC=C3 1 1.426 4 1 0 -4.725248691249 2803203 C1COCCN1CCCNC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl 1 2.375 3 3 -12.6850875296715 2803197 C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC(=CC(=C3O)Cl)Cl)CC4=CN=CC=C4 1 4.174 3 2 -3.48281304747709 2803196 CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NCC2=CN=CC=C2 1 2.137 3 2 -21.2579204510532 2803194 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3 1 2.206 3 5 0 -18.5602290863731 2803193 COC1=CC=CC(=C1)NC2=C(C(=O)NC(S2)C3=C(C(=CC=C3)OC)O)C#N 1 3.236 3 4 0 -3.23306333906362 2803185 CSC1=C(C(=O)NC(S1)C2=CC=C(C=C2)Cl)C#N 1 3.332 2 1 -4.3434741059901 2803183 CNC(=S)NN=CC1=CC=C(C=C1)N(C)C 1 2.393 4 0 -9.19916303604248 2803172 C1=CC=NC(=C1)C2=NC(=NN2)C3=CC=NC=C3 1 1.262 5 0 0 5.90789376974536 2803167 C1C=CC2C1C3CC2C(C3)NC(=S)N 1 1.971 2 0 0 -2.9124651569164 2803164 CC1CN(CC(O1)C)C2=NC=C(C=C2)[N+](=O)[O-] 1 1.097 3 3 0 -5.54473744688516 2803155 C1CCC(CC1)N2C(C(CCC2=O)C(=O)O)C3=CC=CC=C3Cl 1 3.745 1 3 -8.44001746280095 2803154 CC1=CC(=C(C(=C1)CC(C)(C)C(=O)O)C(=O)O)C 1 3.432 0 4 -3.21939722852717 2803152 CN(C)C1=CC=C(C=C1)CC2C3=CC=CC=C3NC2=O 1 2.932 2 1 -8.3977369733681 2803140 CC1CCCN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 4.318 3 2 -24.6656347713919 2803116 CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=CC2=CC=NC=C2 1 2.573 5 4 0 -2.6757891240056 2803111 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CO3 1 3.311 3 3 -23.8118344969469 2803102 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CN=CC=C3 1 2.979 4 2 -24.1812372228136 2803101 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=NC=C3 1 2.979 4 2 -22.1823522731803 2803097 COC1=CC=CC(=C1)NC(=S)NC2=C(C=C(C=C2)Br)Cl 1 5.763 2 1 -1.78294598221069 2803091 COC1=CC=CC(=C1)NC(=S)NC2=CC=C(C=C2)O 1 4.108 2 2 -1.75494038699973 2803074 CN(C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 1 2.189 4 2 -20.1662860389264 2803060 C#CCSC1=C(C(=NS1)SCC#C)C#N 1 4.852 2 0 -9.83826946790536 2803005 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N 1 3.713 2 1 1.80516735015494 2802998 CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CN=CC=C2 1 2.067 5 4 0 -5.86430558659949 2802924 C1CC2C(CC1C(=O)N2CC3=CC=CC=C3)O 1 1.443 1 2 0 -0.149356308919074 2802912 CC1=CC(=C(C(=C1)C)NC2=NC3(CCCCC3)C(=C)S2)C 1 5.653 2 0 0.361361078219041 2802888 CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)OCC2=CC=CC=C2 1 3.267 2 6 0 -16.9079338573593 2802851 CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)F)C4=CC=CC=C4 1 3.701 4 1 -6.27356700865751 2802847 C1CC2(CCCC(C1)(C2)Br)C(=O)N 1 2.18 1 1 -1.59516458222766 2802830 CC(=O)NC12CC3CC(C1)CC(C3)(C2)CC(=O)O 1 0.901 1 3 0 -7.10575052275174 2802825 CC1=CC(=O)N(C=N1)C(C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 2.424 3 3 -12.160217232993 2802820 C1=CC=C(C=C1)C(=O)C(NC(=O)C2=CC=CC=C2)N3C=NC=CC3=O 1 1.911 3 3 0 -10.8100807583752 2802817 COC(=O)C12CCC3(C(C1)(CCC24SCCS4)C(=O)OC)SCCS3 1 3.224 0 4 -2.55766022868624 2802805 CC12CCC3C1(COC2(C3)C(=O)N)C 1 0.574 1 2 0 -3.44765109957477 2802797 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C1)C 1 4.484 4 2 -6.65481490340675 2802755 CN1C2CCC1CC(C2)NC(=O)CSCC3=C(C=C(C=C3)Cl)Cl 1 3.396 2 1 -8.97285911182583 2802738 C1=CC=C(C=C1)CNC(=O)CC2C(=O)NC3=CC=CC=C3S2 1 2.205 2 2 -17.5405082307677 2802710 CC1=CC=C(C=C1)C(=O)OC2CN3CCC2CC3 1 2.707 1 2 -2.37346028408686 2802709 C1CN2CCC1C(C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.116 2 4 -4.46785807144409 2802701 C1CN2CCC1C(C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.116 2 4 -6.59235033087024 2802698 COC1=CC=CC=C1C2CCN(CC2)CC3=CC=CC4=CC=CC=C43 1 4.996 1 1 4.43806703497898 2802695 C1CN2CCC1C(C2)OC(=O)C3=CC=C(C=C3)Cl 1 2.886 1 2 -0.551461593500039 2802693 COC1=CC=CC=C1C2CCN(CC2)CC3=CC4=CC=CC=C4C=C3 1 4.996 1 1 4.69717913095921 2802692 COC1=CC=CC=C1C2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.982 2 3 -0.692221337372555 2802691 CC1=CC=C(C=C1)CN2CCC(CC2)C3=CC=CC=C3OC 1 4.574 1 1 3.20019565616696 2802690 COC1=CC=CC=C1C2CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl 1 5.417 1 1 4.7599205897834 2802689 COC1=CC=CC=C1C2CCN(CC2)CC3=CC=CC=C3Cl 1 4.752 1 1 2.13084021766012 2802688 COC1=CC=CC=C1C2CCN(CC2)CC3=C(C=C(C=C3)Cl)Cl 1 5.417 1 1 4.84678008830921 2802670 CN1C2CCC1CC(C2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 2.312 2 2 -2.88041170933234 2802669 CN1C2CCC1CC(C2)NS(=O)(=O)C3=CC=C(C=C3)C#N 1 1.249 3 2 0 -8.4366148807656 2802667 CN1C2CCC1CC(C2)NS(=O)(=O)C3=CC(=C(C=C3Cl)Cl)Cl 1 3.363 2 2 -3.65523993704508 2802640 C1CN(CCN1C2=CC=CC3=C2C=CN3)C(=O)C4=CC=C(C=C4)Cl 1 3.831 3 1 -0.281026731507865 2802639 C1CN(CCN1C2=CC=CC3=C2C=CN3)C(=O)C4=C(C=CC=C4Cl)Cl 1 4.495 3 1 -3.35811603420744 2802638 C1CN(CCN1C2=CC=CC3=C2C=CN3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.061 4 3 0 -4.19742320945192 2802632 CC(=O)NC1=CC(=CC=C1)OCCCNS(=O)(=O)C2=CC=C(C=C2)F 1 1.761 2 4 0 -8.86568003909407 2802630 CC(=O)NC1=CC(=CC=C1)OCCCNS(=O)(=O)C2=CC=C(C=C2)C#N 1 1.435 3 4 0 -12.20329621423 2802629 CC(=O)NC1=CC(=CC=C1)OCCCNC(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.253 2 3 -8.2248289768444 2802620 CC(=O)NC1=CC(=CC=C1)OCCCNC(=O)C2=CC=CC3=CC=CC=C32 1 2.761 2 3 -9.55355848770079 2802616 C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)C#N 1 0.577 5 2 0 -14.0849675076717 2802614 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=CC=C3Cl)Cl 1 2.324 4 1 -2.01874468039467 2802586 CN(C1=CC=CC=C1)N=CCC2=NN=NN2C3=CC=C(C=C3)Cl 1 3.539 6 0 -6.57096886203209 2802550 CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC=CN2C 1 1.307 4 3 0 -15.0350066154982 2802540 C1CN2CCC1C(C2)NC(=O)C3=CC(=CC=C3)Cl 1 2.238 2 1 2.58498160189834 2802526 CCC(COC(=O)C)NC1=NC2=C(N1)C(=O)N(C(=O)N2C)C 1 0.313 5 4 0 -14.9717601527277 2802516 C1=CC=C(C=C1)C2=NC(=S)NN2C3=CC=CC=C3 1 3.678 3 0 1.29946222657913 2802506 C1CCN(CC1)S(=O)C23CC4CC(C2)CC(C4)C3 1 2.832 1 1 5.69981445067271 2802499 CCN(CC)S(=O)(=O)C1CCS(=O)(=O)C1 1 -0.425 1 4 0 -14.4587446160177 2802476 CC(=NNC(=S)N)C1=CN=CC=C1 1 0.629 4 0 0 -5.04519906026675 2802468 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCN(CC3)C4=NC=C(C=N4)Br 1 3.16 5 2 0 -7.4173534507799 2802467 C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=CC=CS3 1 1.697 4 1 0 -5.59810788773909 2802464 C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=C(C=CC=C3F)F 1 2.155 4 1 -2.19748270671762 2802463 C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.638 5 3 0 -2.34026120452785 2802435 CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC(=CC=C1)Cl)OCC2=CC=C(C=C2)F 1 4.815 1 4 -4.16118161234736 2802434 CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC(=CC=C1)Cl)OCC2=CC=CC=C2 1 4.61 1 4 -5.50649410305415 2802401 C1CC1C(=O)CC(C2=CC=CC=C2)NC3=CC=CC=C3 1 3.838 1 1 -8.73647787891821 2802392 CC1=CC=CN2C1=NC(=C2C(=O)NN=CC3=CC=CC=C3[N+](=O)[O-])C 1 2.515 5 3 0 -9.13329927719476 2802388 CC1=C(C2=CC=CC=C2N1)CC#N 1 2.182 2 0 0.903151756565061 2802386 COC1=CC=CC=C1C2CCN(CC2)C(=O)C3=CC=CC=C3 1 3.428 1 2 -6.2739975202919 2802385 COC1=CC=CC=C1C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 4.093 1 2 -3.48793826518333 2802380 COC1=CC=CC=C1C2CCN(CC2)C(=O)C3CCCCC3 1 3.89 1 2 -5.77409826325257 2802379 COC1=CC=CC=C1C2CCN(CC2)C(=O)C3=CC=CO3 1 2.824 1 3 -5.34362847026711 2802375 C1CCC(CC1)C(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)F 1 3.868 2 1 -0.771296191404314 2802374 C=CCNC(=O)N1CCC2=C(C1)C3=C(N2)C=CC(=C3)F 1 2.354 3 1 -7.32585327333115 2802350 COC1=CC=C(C=C1)OC(=O)NCCC2=CC=CC=C2 1 3.481 1 3 -6.11788417023236 2802347 C1=CC=C(C=C1)CCNC(=O)OC2=CC=C(C=C2)Cl 1 4.162 1 2 -3.73764269930184 2802309 CC(C)OC(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C23 1 3.504 0 3 -5.50507834027937 2802308 C1CCN(CC1)C(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C34 1 3.253 1 2 -3.95027598082983 2802303 C1=CC2=C(C=C1[N+](=O)[O-])C(=NN)C3=C2C=CC(=C3)[N+](=O)[O-] 1 2.274 4 4 0 -3.38994923591356 2802298 CCCN(CCC)C(=O)C1=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C(C#N)C#N)C2=CC(=C1)[N+](=O)[O-] 1 4.13 5 5 0 -10.7250569495772 2802297 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C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-] 1 2.463 1 6 0 -10.9698073726434 2801624 CC1(C2CCC1(C(=NOC(=O)C3=C(C=CC=C3F)F)C2)C)C 1 4.041 1 2 0.916279804292808 2801581 CCC(=O)C1=C(C=C(C=C1)SC(=O)N(C)C)O 1 2.522 1 3 0.180728027396682 2801573 CCOC(=O)C1=CC=C(C=C1)C(=S)N2CCCC2 1 3.332 1 2 -7.70085126069239 2801572 CCN1C2=C(C=C(C=C2)OCC=C)C(=O)C=C1C(=O)O 1 2.375 1 4 -7.12677090311475 2801564 C1=CC=C(C=C1)COC2=CNC(=CC2=O)CO 1 0.246 1 3 0 -2.90731117387787 2801551 CCCC1=CC(=O)C2=C(O1)C=C(C=C2)OCC(=O)C 1 2.447 0 4 -5.44550702052204 2801540 CCC(=NNS(=O)(=O)C1=CC=C(C=C1)C)C2=CC=CO2 1 2.915 2 3 -4.53198737110192 2801539 CCCC1=CC(=O)C2=C(C=CC(=C2O1)OC)O 1 2.623 0 4 2.58330156447706 2801536 COC1=CC=CC2=C1NC(=CC2=O)C(=O)OC 1 1.282 1 4 0 -4.94839741804149 2801530 CCCC1=CC(=O)C2=C(O1)C=CC=C2O 1 2.639 0 3 3.52741002757268 2801527 CCOC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2O)CC=C 1 2.588 0 5 -7.68488491887691 2801521 CCCC1=C2C(=CC3=C1CCCC3)C(=O)C=C(O2)C(=O)OCC 1 4.734 0 4 -6.38463680640548 2801519 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C1=CC(=C(N=C1)N)OCC2=CC(=C(C=C2)Cl)Cl 1 3.367 2 1 0.973058849901924 2800942 C1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])CCC(=O)O 1 3.169 3 4 0 -7.08041286278794 2800907 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 3.095 1 3 -8.48479944643337 2800886 CCCCN1C(C(N(C1=O)C2=NN=C(S2)C(C)(C)C)O)C3=CC=C(C=C3)C 1 4.545 4 2 -4.64852256609987 2800874 CC1=CC2=NC=C(C(=O)N2C=C1)C(=O)O 1 -0.203 2 3 0 -7.94589599823269 2800821 CCCCNC(=O)NC1=NN=C(S1)C(C)(C)C 1 2.556 4 1 -12.5859471164136 2800798 CC(C)(C)C1=NN=C(S1)N2C(=O)C(N(C2=O)C)C3=CC=CC=C3 1 2.828 4 2 -6.4135297756444 2800791 CC1(CN(C(=S)N(C1=O)C(=O)C2=C(C=CC=C2Cl)F)C3=CC=CC=C3OC)C 1 5.776 2 3 -4.23575294461788 2800789 CC1=CC=C(C=C1)C(=O)N2C(=O)C(CN(C2=S)C3=CC=CC=C3OC)(C)C 1 5.393 2 3 -3.19912561273539 2800788 CC1(CN(C(=S)N(C1=O)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3OC)C 1 5.571 2 3 -1.37712692214857 2800780 C1=CC=C(C(=C1)N)NC2=NC(=O)N(C=C2C#N)CC3=CC(=C(C=C3)F)Cl 1 2.577 5 1 -2.87715250407358 2800776 C1=CC=C(C(=C1)N)NC2=NC(=O)N(C=C2C#N)CC3=CC=C(C=C3)Cl 1 2.371 5 1 -2.8932529453401 2800769 CCCN(C1=CC=C(C=C1)C)C2=NC(=O)C3=C(S2)N=CC=C3 1 4.56 3 1 -4.10688208655068 2800768 CC1=CC=C(C=C1)N2C3=C(C=CC=N3)C(=O)N=C2SCC#C 1 4.88 3 1 -10.2016358112423 2800764 CC1(CN(C1=O)C(=S)NC2=C(C=C(C=C2)F)F)C 1 3.532 2 1 -3.46187399749974 2800763 CC1(CN(C1=O)C(=S)NC2=CC=CC=C2OC)C 1 3.105 2 2 -7.3036563832128 2800759 COC1=C(C=C(C=C1)S(=O)(=O)N(CCC#N)CC2=CC=CO2)OC 1 1.658 2 5 0 -19.4071424721388 2800713 CC(=C)C(=O)NC1=C(N=CC=C1)OC2=CC=C(C=C2)F 1 3.248 2 2 -4.74397108560825 2800710 CC(=C)C(=O)NC1=C(N=CC=C1)OC2=C(C=C(C=C2)F)F 1 3.454 2 2 -5.80400064703899 2800692 C1=CC=C(C=C1)C(=O)NNC(=O)CS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F 1 1.58 3 4 0 -8.10297391521076 2800656 C1=CC=C(C(=C1)OC2=NC=C(C=C2)N)F 1 2.237 2 1 2.73044930603922 2800651 CN(C)C=NC1=NC(=NN1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 3.115 6 2 0 3.15909490812186 2800636 C1=CC(=C(C(=C1NC(=O)CC2=NOC=N2)F)F)F 1 1.137 3 2 0 -7.75160053048611 2800626 CCOC(=O)CS(=O)(=O)C1=NC=C(C=C1)C(F)(F)F 1 1.742 1 4 0 -4.68734713064469 2800613 CC1=CN=C(C(=N1)C)NC(=O)NC2=CC=CC=C2 1 1.325 4 1 0 -2.50863558707063 2800612 CC1=CN=C(C(=N1)C)NS(=O)(=O)C2=CC=CC=C2 1 1.12 3 2 0 -3.32600214981296 2800521 CC1=CC(=NC(=N1)NC(=O)NC(=O)C2=C(C(=CC(=C2OC)Br)Cl)OC)C 1 3.082 4 4 0 -2.92713325206817 2800523 CC1=CC(=NC(=N1)NC(=O)NC(=O)C2=C(C(=CC(=C2OC)Br)[N+](=O)[O-])OC)C 1 2.312 5 6 0 -4.18854609457752 2800542 CC(=O)NC1=CN=C(C=C1)OC2=CC(=CN=C2)Cl 1 1.412 3 2 0 -6.32521590639801 2800541 CCOC(=O)C(=CNC1=CN=C(C=C1)OC2=CC(=CN=C2)Cl)C(=O)OCC 1 2.47 3 5 0 -3.87907480709638 2800493 COC1=C(C(=C(C=C1[N+](=O)[O-])Br)OC)C(=O)NC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 4.333 3 6 0 -4.79134557909097e-003 2800490 COC1=C(C(=C(C=C1[N+](=O)[O-])Br)OC)C(=O)NC(=O)NC2=C(C=CC=C2Cl)Cl 1 4.333 3 6 0 0.325237214677027 2800481 COC1=C(C(=CC=C1)OC)NC(=O)NC(=O)C2=C(C(=CC(=C2OC)Br)[N+](=O)[O-])OC 1 2.971 3 8 0 -1.17131393230601 2800443 COC1=C(C(=C(C=C1)Cl)OC)C(=O)NC(=O)NC2=C(C=C(C=C2F)F)F 1 3.642 2 4 -0.331442978945437 2800440 CC1=NC(=NC(=N1)NC(=O)NC(=O)C2=C(C=CC(=C2OC)Cl)OC)C 1 1.574 5 4 0 -4.0223698952204 2800424 CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N 1 1.799 4 0 0 -1.84628263754478 2800421 CC1=NN(N=C1C(=O)OC2=CC(=NN2C3=CC=CC=C3)C(F)(F)F)C4=CC=CC=C4 1 5.271 5 2 0 -1.39422955684453 2800420 CC1=CC(=NC(=N1)NC(=O)NC(=O)C2=C(C=CC(=C2OC)Br)OC)C 1 2.417 4 4 0 -5.12988103209182 2800419 COC1=C(C(=C(C=C1)Br)OC)C(=O)NC(=O)NC2=C(C=CC=C2F)F 1 3.521 2 4 -1.55261356313117 2800393 CC1=CC(=NC(=N1)NC(=O)NC(=O)C2=C(C=CC(=C2OC)[N+](=O)[O-])OC)C 1 1.563 5 6 0 -7.56524412408264 2800391 CC1=NC(=NC(=N1)NC(=O)NC(=O)C2=C(C=CC(=C2OC)[N+](=O)[O-])OC)C 1 0.804 6 6 0 -7.08135626822535 2800388 COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)NC(=O)NC2=C(C(=C(C(=C2F)F)F)F)F 1 3.283 3 6 0 -4.20821002158047 2800385 COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)NC(=O)NC2=C(C=C(C=C2F)F)F 1 2.872 3 6 0 -3.39042935195038 2800381 CC1=C(C(=CC=C1)C)NC(=O)NC(=O)C2=C(C=CC(=C2OC)[N+](=O)[O-])OC 1 3.228 3 6 0 -6.14319933109062 2800353 C1=CC(=C(N=C1)NCC2=CC=CS2)[N+](=O)[O-] 1 2.245 3 2 -6.47383329806118 2800329 COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3=CC=CC=C3)Cl 1 3.094 2 3 1.79996165531046 2800318 CN(C)C=NC1=C(C=NN1C2=CC=CC=C2)C#N 1 1.567 5 0 0 -0.492420061649967 2800297 COC1=C(C(=CC=C1)OC)C(=O)NC(=O)NC2=C(C(=C(C(=C2F)F)F)F)F 1 3.389 2 4 -2.79519017760782 2800260 CN1C(=O)C(=C(C=N1)S(=O)(=O)CC2=CC=CC=C2)Cl 1 1.083 2 3 0 -8.73040121624692 2800259 CN1C(=O)C(=C(C=N1)SCC2=CC=CC=C2)Cl 1 2.099 2 1 -4.53551631637867 2800257 CN1C(=O)C(=C(C=N1)N(C)NS(=O)(=O)C2=CC=C(C=C2)Cl)Cl 1 0.84 4 3 0 -2.74248187495964 2800251 CN1C(=O)C(=C(C=N1)N(C)NC(=O)NC2=CC=CC=C2)Cl 1 0.381 5 2 0 -4.26404505269062 2800239 C1=CC(=CC=C1CC#N)OC2=NC=C(C=C2)[N+](=O)[O-] 1 2.586 3 3 -2.6148630036373 2800220 CC1=CC=C(C=C1)COC2=C(N=C(C=C2)C)[N+](=O)[O-] 1 3.448 2 3 -2.39315280760741 2800218 CC1=NC(=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-] 1 3.792 3 5 0 1.51812114263732 2800195 CC1=C(C(=CC=C1)C)NC(=O)NC(=O)C2=C(C=CC=C2OC)OC 1 3.334 2 4 -5.15394662129739 2800190 COC1=C(C(=CC=C1)OC)C(=O)NC(=O)NC2=C(C=C(C=C2F)F)F 1 2.978 2 4 -1.97740950797773 2800186 CCOC(=O)C(=CNC1=CN=C(C=C1)OC2=CN=CC=C2)C(=O)OCC 1 1.805 3 5 0 -4.65803173089683 2800181 CC1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C=C2)OC3=CN=CC=C3 1 2.602 3 3 -5.69153424670983 2800179 C1=CC(=C(C(=C1)Cl)C(=O)NC(=O)NC2=CN=C(C=C2)OC3=CN=CC=C3)Cl 1 3.521 4 3 0 -4.8679428661622 2800176 C1=CC(=CN=C1)OC2=NC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl 1 2.985 4 2 -3.76825617769062 2800175 C1=CC=C(C=C1)NC(=O)NC2=CN=C(C=C2)OC3=CN=CC=C3 1 2.321 4 2 -6.00668333318721 2800173 C1=CC(=CN=C1)OC2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F 1 3.355 3 2 -3.79047733743063 2800172 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)OC3=CN=CC=C3 1 3.813 3 2 -4.80811007565162 2800162 CC1=C(C=CC(=C1)OC2=NC=C(C=C2)N)Cl 1 3.182 2 1 3.70806583568076 2800121 CC1=CC=C(C=C1)SC2=NC=C(C=C2)N 1 3.076 2 0 3.2884056634583 2800104 COC1=C(C(=CC=C1)OC)C(=O)NC(=O)OC2=C(C=CC=C2F)F 1 3.42 1 5 -6.57997518160335 2800102 CC(=NO)C1=CN(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.752 2 3 -0.201195395787978 2800100 CCCCCC(=O)ON=C(C)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2 1 3.946 2 4 -10.2762876926663 2800095 CC(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.685 1 3 -4.59103126280876 2800079 CN1C(=C2CCCCC2=N1)N(C)C(=O)NC3=CC=C(C=C3)Cl 1 3.687 4 1 -1.94911175978006 2800024 C1=CC(=CN=C1)C2=NC(=CS2)C3=CC(=C(C=C3)F)F 1 3.417 2 0 6.68819088499237 2799995 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NN=C(O3)C4=CC(=CC=C4)OC 1 5.222 3 3 1.71961792075914 2799963 COC1=CC=CC(=C1)C2=NN=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 2.932 3 4 0 0.992734546557402 2799915 CC(=NOC(=O)NC1=CC=C(C=C1)Cl)C2=CC(=C(C=C2)F)F 1 4.108 2 2 3.91453586208836 2799904 CC(=NOC(=O)C1=CC=C(C=C1)F)C2=CC(=C(C=C2)F)F 1 3.741 1 2 2.03626260496988 2799865 CC1=CC(=O)OC2=C1C(=NN2C3=CC=CC=C3)C(F)(F)F 1 4.068 2 2 0.176130287507616 2799891 COC(=O)C1=C(C=C(C=C1)Cl)N(CC2=C(C=CC=C2Cl)F)S(=O)(=O)C 1 3.92 1 4 -9.77160784067177 2799831 C1=CC(=CC=C1C(=O)NC2=NC=CN=C2)Cl 1 1.517 3 1 0 -3.00440775094764 2799786 CC1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SC3=CC(=CC=C3)Cl 1 5.279 2 1 -7.30930161541188 2799772 CN(C)/C=C(\C#N)/C(=O)NC1=CC=CC=C1 1 0.944 3 1 0 -9.5654152577826 2799739 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=NN(N=C3C)C4=CC=CC=C4 1 2.665 5 2 0 -6.26710255399154 2799711 C1CCNC(=O)C(C1)NC(=O)C2=CC=CC=C2N 1 0.403 3 2 0 -17.4276792249863 2799698 C1=CC=C(C=C1)COC2=CC=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-] 1 4.24 2 4 -2.26958146228496 2799697 C1=CC=C(C=C1)COC2=CC=C(C=C2)OC3=C(C=CC=N3)[N+](=O)[O-] 1 4.24 2 4 -1.80332018514786 2799635 COC1=C(C(=CC(=C1)C2SCCS2)Br)OC3=C(C=CC=N3)[N+](=O)[O-] 1 4.585 2 4 -5.70776151932688 2799650 C1C(=NNC1=O)CSC2=CC=C(C=C2)Cl 1 2.062 2 1 -5.35122311866426 2799649 CC1=CC(=C(C=C1Cl)Cl)SCC2=NNC(=O)C2 1 3.213 2 1 -9.58349612022925 2799602 C1=CC(=CC=C1C2=NN=NN2C3=CC=C(C=C3)Cl)Cl 1 3.97 4 0 -2.49197903920645 2799589 C1=CC(=C(C=C1C2=NN=NN2C3=CC(=C(C=C3)Cl)Cl)Cl)Cl 1 5.299 4 0 -3.53364581181596 2799571 CC\1=NN(C(=O)/C1=C/N(C)C)C2=CC=CC=C2 1 1.057 3 1 0 -4.73091037661072 2799534 CC1=NC2=CC=CC=C2C(=C1)SC3=NN=C(S3)N=CN(C)C 1 2.294 5 0 1.69444183470658 2799527 CC1=NC2=CC=CC=C2C(=C1)SC3=NN=C(S3)N 1 2.686 4 0 -0.821095494474872 2799461 C1=CC=NC(=C1)SC2=C(C=C(C=C2)S(=O)(=O)NN)[N+](=O)[O-] 1 1.444 4 4 0 -6.62223417699201 2799449 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-] 1 1.725 4 4 0 -13.7815563282042 2799444 C1CN(CCN1C2=NC=C(C=C2)[N+](=O)[O-])C(=O)NC(=O)C3=CC=CC=C3F 1 1.521 5 4 0 -5.65159581829668 2799443 C1CN(CCN1C2=NC=C(C=C2)[N+](=O)[O-])C(=O)NC(=O)C3=C(C=CC=C3Cl)Cl 1 2.645 5 4 0 -3.16945704217175 2799399 C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])O 1 1.332 2 4 0 0.773846726997359 2799398 C1CSCCN1C2=CC(=C(C=C2)[N+](=O)[O-])O 1 2.077 2 3 1.79667420201921 2799395 C1CC1CNC(=O)NC2=CC=CC=C2F 1 1.972 2 1 0 -7.9221971849472 2799394 CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NCC2CC2 1 3.376 1 2 -2.92445024980869 2799391 C1CC1CNS(=O)(=O)C2=CC(=CC(=C2)Cl)Cl 1 2.89 1 2 -4.98994965024277 2799366 CC1=C(C(=NO1)NC(=O)NC(=O)C2=C(C=CC=C2Cl)Cl)Br 1 3.61 3 3 -2.96665198279395 2799365 CC1=C(C(=NO1)NC(=O)NC(=O)C2=CC=CC=C2F)Br 1 2.487 3 3 -5.44879075891888 2799364 CC1=C(C(=NO1)NC(=O)NC(=O)C2=C(C=CC=C2Cl)F)Br 1 3.151 3 3 -3.63941516297723 2799360 CC1=CC(=NO1)NC(=O)NC(=O)C2=CC=CC=C2F 1 1.738 3 3 0 -13.2305257936875 2799350 C1=C(C=C(C=C1Cl)Cl)NC(=O)CC2=NNN=N2 1 1.929 5 1 0 -6.63162421893337 2799349 C1=CC(=C(C=C1F)F)NC(=O)CC2=NNN=N2 1 1.011 5 1 0 -7.24894178183885 2799314 CCC1=NN=C(S1)NC(=O)C2=NN(N=C2C)C3=CC=CC=C3 1 2.304 6 1 0 -12.7581325341144 2799297 CC1=C(C(=NO1)NC=C(C(=O)C)C(=O)C)Br 1 0.474 2 3 0 -1.22178211706752 2799295 CC1=C(C(=NO1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])Br 1 1.915 3 5 0 -3.93764046886952 2799171 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 4.009 2 6 0 -8.2619642482249 2799110 C1=CSC(=C1)CNC(=O)N 1 0.487 2 1 0 -7.68081433682875 2799070 CC1=CC2=C(C=C1)N=C3C(=N2)C4=CC=CC=C4C3=O 1 3.73 2 1 5.06169484882497 2799060 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC4=C(C3=O)C=CC=N4)OC 1 2.807 2 6 0 -7.69690885577909 2799031 CC1=C(C=C(C=C1)NC(=O)CC2=NOC=N2)Cl 1 1.671 3 2 0 -7.13138002618698 2798991 CCC1=NC2=CC(=C(C=C2N=C1CC)Cl)Cl 1 4.522 2 0 -2.01309123929628 2798902 C1=CC(=C(C(=C1)Cl)CC2=NC(=O)C=C(N2)CCl)Cl 1 3.11 2 1 -6.89175089691864 2798886 C1=CC2=C(N=C(N2C=C1)SCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C(F)(F)F 1 4.694 3 3 -11.2056432208185 2798862 CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)NC(=O)C2=C(C=CC=C2F)F 1 5.841 1 3 -5.47650230716241 2798860 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=NN=C(S3)C4CC4 1 3.523 4 2 -16.4692907520802 2798785 CN(C)C=NC1=NC2=C(C=CC=C2S1)OC 1 1.947 3 1 0 5.11686050744003 2798661 COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)NC2=C(C=C(C=C2)F)F 1 2.887 2 5 0 -7.30111512678094 2798654 CC(C(OC)OC)NC(=O)NC(=O)C1=CC=CC=C1Cl 1 1.797 2 4 0 -8.75025205861639 2798650 COC1=CC2=C(C=C1)SC(=N2)NC(=O)NC(=O)C3=C(C=CC=C3Cl)Cl 1 4.332 3 3 -1.9353800875158 2798637 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=O)C(=C3)NC(=O)C 1 1.698 2 5 0 -7.96034675273869 2798616 CC1=NC=C(C(=C1O)CO)CSC2=NC=CC(=O)N2 1 0.323 3 3 0 -11.4878216587879 2798585 COC(=O)C=C1C(=O)N2C3=CC=CC=C3N=C2S1 1 2.338 2 3 -7.85747037457834 2798577 C1=CC=C(C=C1)C2=NC=C(S2)C(=O)C3=CC=C(C=C3)Cl 1 4.57 1 1 6.3507229396863 2798515 C1=C(C=C(C(=C1[N+](=O)[O-])SC2=NNC(=N2)C(F)(F)F)[N+](=O)[O-])C(F)(F)F 1 4.309 5 4 0 1.97754777505514 2798459 CC1=NC2=C(C=C(C=C2)Cl)C(=C1)OC3=C(C=CC=N3)[N+](=O)[O-] 1 3.806 3 3 1.67564235583279 2798438 C1CSCCN1C(=O)NC(=O)C2=C(C=CC=C2Cl)Cl 1 2.785 2 2 -3.91477164084626 2798414 C1=CC2=CN=C(N2C=C1)SC3=NC=C(C=C3)[N+](=O)[O-] 1 2.819 4 2 -4.4237076577555 2798326 CC(C)(C)NC(=S)NC1CC1 1 2.078 2 0 -11.971066454603 2798315 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3CC3)C(=O)S1 1 1.619 2 3 0 -10.2482835271988 2798301 CC1=C(C(=NN1C2=CC=CC=C2)C)C3=C(C=C(C=C3)OC)C(=O)O 1 3.616 2 3 -2.8515374816664 2798292 CC1=C(C(=NN1C)C)C2=C(C=C(C=C2)OC)C(=O)O 1 2.039 2 3 -2.317841372579 2798285 C1COCCN1C(=O)C2=CC3=CC=CC=C3S2 1 2.084 1 2 -1.83305771660583 2798283 CC(C)(C)C(=O)NC1=C(C=C(C=C1)F)[N+](=O)[O-] 1 2.596 2 3 -11.2626289804698 2798272 C1=CC=C(C(=C1)C(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N)F 1 2.486 3 4 0 1.14717594300904 2798264 C1=CC=C(C(=C1)C(=O)NNC(=S)N)Cl 1 1.652 3 1 0 -7.18846654500832 2798261 C1=CC=C(C(=C1)C(=O)NC(=O)OCC2=C(C=C(C=C2)Cl)Cl)F 1 4.583 1 3 -2.69831594365824 2798239 C1=CC=C(C(=C1)C(=O)NCC(=O)C2=CC=C(C=C2)Br)F 1 3.247 1 2 -9.01075540743076 2798231 CC1=C(C(=NO1)C)C(=O)N2CCCC2 1 0.587 2 2 0 -11.8516226429458 2798158 C1CCN(CC1)C2=CC=CC=C2C(=O)NC(=O)NC3=CC=C(C=C3)Br 1 4.222 3 2 -5.12664559372178e-002 2798129 C#CC1(CCCCC1)NC(=O)NC(=O)C2=C(C=CC=C2F)F 1 4.135 2 2 -6.02951753660409 2798075 CC1=CC(=CC(=C1Cl)C)OC2=NC=C(C=C2)N 1 3.668 2 1 2.97064937262957 2798074 C1=CC(=C(C(=C1)Cl)OC2=NC=C(C=C2)N)Cl 1 3.36 2 1 2.58067388901028 2797977 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCCN=C3SC 1 3.581 3 2 -9.74027749075345 2797974 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN=C3SC 1 3.519 3 2 -8.87740024145242 2797972 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCN=C3SC 1 3.725 3 2 -11.8820502956747 2797964 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=CC=CC=N3)O 1 4.372 2 2 -7.0479228730894 2797933 CC1=NN(N=C1C(=O)NC2=NN=C(S2)C(F)(F)F)C3=CC=CC=C3 1 2.725 6 1 0 -7.51424596489167 2797841 CC1=C(C(=NO1)C2=CC=CC=C2Cl)NC(=O)NCC3=CC=CS3 1 3.48 3 2 -5.78005329326972 2797826 CC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC3=CC=CS3 1 3.107 2 1 -1.9807435490124 2797803 CC(=O)NC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)OC1=O 1 1.876 2 5 0 -6.13834806215188 2797801 CC1=CC(=C(C=C1)NC(=S)NC(C)(C)C)[N+](=O)[O-] 1 3.824 3 2 -10.7619092667048 2797796 C1CCN(CC1)CCC(C2=CC=C(C=C2)C3=CC=CC=C3)O 1 3.89 1 1 4.42241267936893 2797755 C1=C(C=C(C=C1C(F)(F)F)NC(=O)CCC(=O)O)C(F)(F)F 1 2.68 1 3 -7.95233398210819 2797729 C1=CN(C=C1)C2=C(C=C(C=C2)N)C#N 1 1.838 3 0 0 -0.956276617091014 2797721 C1=CC(=CC=C1C#N)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=C(C=C3)F 1 5.201 2 2 -2.59699747329824 2797686 C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)OC3=CC=CC=C3 1 4.21 1 3 -4.35315632695349 2797685 C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)NN 1 1.289 3 2 0 -3.2237066034574 2797676 C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)F 1 3.768 2 2 -2.99163937003481 2797589 C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3N)[N+](=O)[O-])C(=O)O 1 4.13 2 5 0 -6.70238414004014 2797587 C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)O 1 5.541 1 5 -0.918797802116159 2797547 C1=CC(=CC(=C1)[N+](=O)[O-])C(=NOC(=O)C2=CC=CS2)N 1 2.234 3 4 0 -4.74200054688839 2797531 CC1=C(C(=CC=C1)C)NC(=O)CSC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 5.67 1 2 -3.28694724458867 2797518 CC1=CC=C(C=C1)SC2=C(C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-] 1 5.363 1 5 -3.15188538671084 2797491 CC1=CC=C(C=C1)SC2=C(C=C(C=C2)CO)[N+](=O)[O-] 1 3.724 1 3 2.98295900092321 2797460 C1=CC(=C(C=C1Cl)NC(=S)NN2C=NN=C2)Cl 1 2.964 5 0 -3.30000549765364 2797452 CCOC(=O)C(=CNC1=CC=CC=C1N2CCOCC2)C(=O)OCC 1 1.857 2 5 0 -3.61138317625339 2797435 C1CC(=O)N(NC1=O)C2=CC=CC=C2 1 0.375 2 2 0 -6.82508223963821 2797413 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC3CCC(C2)CC3 1 3.746 2 3 -14.2806284354516 2797373 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5)C 1 1.482 4 4 0 -5.65296993621716 2797370 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C3=CC=CO3 1 3 2 3 -6.7467303485742 2797288 C1=CC=C(C=C1)CCNC(=S)NNC(=O)CCC2=CC=C(C=C2)O 1 3.573 3 2 -12.2791795653351 2797279 CC1=CC=C(C=C1)N2C(=NNC2=S)CSC3=C(C=C(C(=C3)OC)[N+](=O)[O-])OC 1 4.419 4 4 0 -10.5831611973513 2797276 COC1=CC(=C(C=C1[N+](=O)[O-])OC)SCC2=NNC(=S)N2C3=CC=C(C=C3)F 1 4.139 4 4 0 -9.87128417188604 2797236 CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2N 1 2.252 2 1 -8.461259993386 2797226 CN1C(NC(=O)C2=C1C=CC(=C2)Cl)C3CCC=CC3 1 3.497 2 1 1.06109217920998 2797222 CCOC(=O)C(=CNNC1=CC(=CC=C1)Cl)C(=O)OCC 1 2.344 2 4 3.55237194786822 2797189 CCOC(=O)C(=CNNC1=CC=CC=C1)C(=O)OCC 1 1.68 2 4 0 0.72755174898804 2797162 CC1=NC=C(C(=C1O)CO)CSCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 2.907 2 3 -6.74931118360664 2797072 CCOC(=O)C(=CNC1=C(C=CC(=C1)C)[N+](=O)[O-])C(=O)OCC 1 2.388 2 6 0 -3.19089032296413 2797053 C1=CC=NC(=C1)CCNC2=C(C=C(C=C2)C(F)(F)F)N 1 2.73 3 0 0.968736577348575 2797013 CCOC(=O)C(=CNC1=C(C=CC(=C1)OC)N2C=CC=C2)C(=O)OCC 1 2.867 2 5 0 -3.23612233683411 2797000 CCOC(=O)C(=CNC1=C(C=CC(=C1)C)N2C=CC=C2)C(=O)OCC 1 3.369 2 4 -2.87331869123261 2796998 CCOC(=O)C(=CNC1=CC=C(C=C1)N2CCOCC2)C(=O)OCC 1 1.857 2 5 0 -2.46861944254598 2796987 C1=CC=C(C(=C1)C(=O)N)NCC(=O)C2=CC=C(C=C2)Cl 1 2.561 2 2 -2.57955428951687 2796934 CC1=CC(=C(C=C1)[N+](=O)[O-])C2=NNC(=S)N2C3=CC(=CC=C3)Cl 1 4.723 4 2 -0.89535943591757 2796925 CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NN=CC2=CC=CS2 1 3.017 3 3 -7.06385260626021 2796923 CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NN=CC2=CN=CC=C2 1 1.913 4 3 0 -5.70454635737515 2796916 CC(C)C1=CC=C(C=C1)N(CCC2=CC=CC=N2)C(=O)C(C)(C)C 1 4.793 2 1 -4.66759919501104 2796888 CC1=C(C=C(C=C1)NC(=O)C)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 2.866 2 3 -4.45537680973452 2796883 CC1=C(C=C(C=C1)NC(=O)C)NC(=S)NC2=CC=C(C=C2)F 1 4.178 3 1 -9.10073245763064 2796870 CCOC(=O)C1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.562 2 4 -3.07852316387157 2796817 CC1=C(C=CC(=C1)NC(=O)C)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 3.432 3 3 -15.666203141915 2796800 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 4.339 3 3 -13.6997353005483 2796779 CC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=NC=C3 1 2.132 3 1 -1.13714574480017 2796768 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(CC3=CC=C(C=C3)N(C)C)C(C)C 1 4.926 3 2 -9.30259463895246 2796682 C1CC2=CC=CC=C2N(C1)C3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5 1 1.618 6 2 0 -5.99267437090277 2796666 C1=CC(=CC=C1CCC2=NNC(=S)N2C3=CC=C(C=C3)F)O 1 4.133 3 1 -2.09700517864405 2796663 CCN(CC1=CC(=C(C(=C1)OC)OC)OC)C(=S)NC2=CC(=CC=C2)SC 1 5.473 2 3 -9.66048534024812 2796575 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NNC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C 1 5.622 4 4 0 -11.9631312885462 2796543 COC1=CC=C(C=C1)N2C(SCC2=O)C3=CC=CC=C3 1 3.222 1 2 -11.4443025966569 2796531 C1=CC=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)O 1 4.194 2 2 -4.45974225497238 2796530 COC1=CC=CC(=C1O)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F 1 4.178 2 3 -6.2866613669392 2796529 CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=C(C=C3)F)C 1 3.303 2 1 -2.87698944437273 2796463 CC1=C(C(=CC=C1)C)NC2=NC3(CCCCC3)C(=C)S2 1 5.166 2 0 -0.55761654286992 2796437 CC(=O)N1C(OC(=N1)C2=CN=CC=C2)C3=CC=CC=C3Cl 1 2.436 3 2 -6.39279090641094 2796408 C1=CC=C(C(=C1)NC(=S)NCC2=CC=CO2)Cl 1 3.941 2 1 -8.15375823078437 2796406 CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)C)C3=CC=CC=C3 1 4.72 0 3 -5.67988739093907 2796391 C1COCCN1C(=O)C2=CC=C(O2)[N+](=O)[O-] 1 0.345 2 5 0 -6.74261362803833 2796356 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C4=CC(=CC=C4)C(F)(F)F 1 5.223 2 1 1.32868782387337 2796307 C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5 1 4.228 4 1 -6.81808684894945 2796306 CC(C)(C)OC(=O)NCCNC(=O)C1=CC=CS1 1 1.758 2 3 0 -12.8422279733043 2796288 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3)Cl 1 2.267 4 3 0 -7.83626752607476 2796264 CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CC3=CC(=CC=C3)OC 1 3.296 2 2 -2.05345985574039 2796262 CC1=C(C(=NC(=N1)C2=CC=CC=N2)N3CCOCC3)Cl 1 1.665 4 1 0 3.48244435352355 2796229 CC(C)(C)C(=O)N1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4 1 4.095 4 1 -4.18991135910057 2796183 C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCC4=CC=CC=N4 1 3.626 4 0 4.2035257953735e-002 2796177 C1CCC2(C1)CC(=O)N(C2=O)C3=C(C=C(C=C3)S(=O)(=O)NCC4CC4)Cl 1 2.806 2 4 -8.00143715285331 2796174 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)F 1 3.021 3 3 -1.83344888680468 2796157 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F 1 3.623 3 3 -7.34890998927812 2796117 C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)C3=NC4=C(S3)C=C(C=C4)Cl 1 3.187 4 2 -10.3450795938381 2796115 C1CN(CCC1NC(=O)C2=CC=CC=C2C(=O)O)C3=NC=CC(=N3)C(F)(F)F 1 1.943 4 3 0 -2.13330805058302 2796091 C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=NC4=C(S3)C=C(C=C4)Cl 1 3.973 3 2 -7.88665601672433 2796075 COC1=CC=C(C=C1)OCC(CNCCNC2=NC=CC(=N2)C(F)(F)F)O 1 1.987 4 3 0 -3.26056737673827 2796064 CCCC1=CN=C(N=C1)NCCNCC(COC2=CC(=C(C=C2)Cl)Cl)O 1 3.36 4 2 -0.499062810438493 2796058 CC1=C(C=CC(=N1)C(F)(F)F)C(=O)N2CCCCC2 1 2.663 2 1 -4.47889902542839 2796006 CC1=C(C=C(C=C1)OCC(CNCC2=CC=CC=C2)O)C 1 3.461 1 2 -0.932840807351917 2796002 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NCCNC2=NC=CC(=N2)C(F)(F)F 1 3.078 4 1 -6.63821543070163 2796001 C1CN(CCN(C1)C(=O)NC2=CC=CC=C2)CC3=C(C=CC=C3Cl)F 1 3.625 3 1 -5.11636859000225 2796000 C1CN(CCN(C1)C(=O)NC2=C(C=C(C=C2)F)F)C3=NC=C(C=C3)[N+](=O)[O-] 1 1.917 5 3 0 -3.70304204025684 2795996 C1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC=CC(=N2)C(F)(F)F 1 1.839 4 2 0 -7.34582862614358 2795994 C1=CSC(=C1)C(=O)NCCNC2=NC=CC(=N2)C(F)(F)F 1 2.089 4 1 -9.81670565412517 2795991 CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-] 1 2.907 5 3 0 -1.6606210318848 2795983 C1CN(CCN(C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)CC3=CC=CC=C3 1 4.084 3 1 -0.218764491574973 2795980 C1=CC=C2C(=C1)C=CN2CC(CNCCNC3=C(C=CC=N3)C(F)(F)F)O 1 3.209 4 1 -3.33681427672525 2795973 C1=CC(=CC=C1[N+](=O)[O-])OCC(CNCCNC2=NC=CC(=N2)C(F)(F)F)O 1 1.898 5 4 0 -5.20817244666552 2795963 CC1=NC(=C(C=C1C2=NC(=CS2)C3=CC=CC=C3)C(=O)O)C(F)(F)F 1 4.29 2 2 4.27498833536621 2795947 C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 4.345 4 3 0 1.5579398518715 2795942 CCN(CC)C1=C(C=C(C(=N1)C)C#N)C(=O)OCC 1 2.444 3 2 -8.52842587755286 2795907 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-] 1 2.999 4 3 0 -1.09503308206354 2795901 CC1=C(C(=CC=C1)C)NC(=O)C(C)N2CCCCC2 1 3.33 2 1 -10.9543257697017 2795899 CC1=C(C=CC(=N1)C(F)(F)F)C(=O)NC2=CC=CC=C2F 1 3.322 2 1 -3.65342018995314 2795892 C1CN(CCN(C1)C(=O)NC2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 3.68 4 3 0 -0.420712977088669 2795868 CC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-] 1 4.509 5 2 0 -9.37843709417144 2795861 CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-])C 1 4.799 5 2 0 -10.4036383695372 2795860 CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-] 1 4.491 5 2 0 -6.79010100030653 2795859 CC1=C(C(=CC=C1)Cl)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-] 1 4.491 5 2 0 -7.88935649158923 2795856 CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-] 1 2.844 5 3 0 -1.39980874684964 2795841 CC1=C(C(=CC=C1)C)NC(=O)C(C)N2CCCC2 1 2.874 2 1 -10.5998572555336 2795811 CC1=C(C=CC(=N1)C(F)(F)F)C2=NN=C(O2)SC 1 2.715 3 1 -3.87531229166671 2795805 C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)F)CC3=CC=C(C=C3)F 1 5.062 3 0 -5.73836322995338 2795794 CC1=CC(=CC(=C1)NC(=O)N2CCCN(CC2)CC3=C(C=CC=C3Cl)F)C 1 4.597 3 1 -5.25108422393419 2795784 CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)C3=CC=CS3)C 1 4.468 4 1 -18.4877379080799 2795769 CC1=C(C=CC=C1Cl)NC(=O)N2CCCN(CC2)C3=NC(=NS3)C4=CC=CC=C4 1 3.864 5 1 1.84280476449788 2795765 CC1=CC(=CC(=C1)NC(=O)N2CCCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-])C 1 3.099 5 3 0 -5.92884974856777 2795764 C1CN(CCN(C1)C(=O)NC2=CC=CC=C2Cl)C3=NC(=NS3)C4=CC=CC=C4 1 3.378 5 1 0.516511250302828 2795761 CC1=C(C(=CC=C1)Cl)NC(=O)N2CCCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-] 1 3.277 5 3 0 -5.25337125895315 2795756 CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)OC3=CC=CC=C3Cl 1 4.37 1 3 -1.28398638964952 2795752 C1CNCCN(C1)C2=C(C=CC=N2)[N+](=O)[O-] 1 0.758 4 2 0 -6.46981637769832 2795745 CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)OC3=C(C=C(C=C3)Cl)Cl 1 5.034 1 3 0.70449669048527 2795743 CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(S2)C3=CSC(=N3)C)C 1 4.678 1 3 -0.415980105397919 2795741 CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)NC3=C(C=C(C=C3)Br)Cl 1 4.471 2 2 5.01178576702189 2795737 CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)NCC3=CN=CC=C3 1 1.915 3 2 0 -1.5715090491855 2795736 CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)NCC3=CC=CC=N3 1 2.13 3 2 -1.97282665609536 2795735 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(S2)C3=CSC(=N3)C)C 1 4.031 2 2 1.33889954467474 2795725 CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.228 3 2 -5.43640579432905 2795709 CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)Cl 1 2.762 2 3 -5.95359963189622 2795707 CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)OC(C)(C)C 1 2.287 2 4 -21.0991256550253 2795678 CC1=C(C(=CC=C1)Cl)NC(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl 1 4.664 4 1 1.99234547722058 2795668 C1CN(CCN(C1)C(=S)NC2=C(C=C(C=C2)F)F)C3=NC=C(C=C3)C(F)(F)F 1 4.861 4 0 -1.91169153325226 2795662 CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F)C 1 5.143 5 0 -6.21502447644636 2795649 COC1=C(C=C(C=C1)CCNCC(CN2C=CC3=CC=CC=C32)O)OC 1 3.293 2 3 -4.93839104482835 2795608 C1CN(CCN(C1)C(=S)NC2=CC=CC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.735 4 0 -5.54048577272244 2795603 C1=CC(=CC=C1CNC2=NC=CC(=N2)C(F)(F)F)Cl 1 3.527 3 0 1.24553060622718 2795596 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)N3C(=CC=N3)C(F)(F)F)C(=O)O 1 3.704 3 3 -9.03728681644158 2795594 CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 2.113 3 4 0 -1.57278226086067 2795581 CCN(CC)S(=O)(=O)C1=CC=C(S1)C2=CSC(=N2)C 1 2.385 2 2 -3.98679552792048 2795565 C1=CC(=CC(=C1)Br)C2=CN=CO2 1 2.285 1 1 4.04483661510927 2795488 CSC1=NC=C(N1CC2=CC=CC=C2)CO 1 2.063 2 1 -6.70835015600126 2795439 C1COCCN1C2=C(C=CC=N2)[N+](=O)[O-] 1 0.962 3 3 0 -3.91842243928515 2795382 C1=CC=C(C=C1)CNCC2=CC=CC=C2O.Cl Cl- 1 2.709 1 1 6.52127086729067 2795248 CCC1=NN=C(N1N)NN=CC2=C(C=CC=C2Cl)Cl 1 2.481 6 0 -8.52115009789119 2795203 C1C2=CC=CC=C2C(=N1)N.Cl Cl- 1 0.846 2 0 0 0.959050474026047 2794916 C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CCl 1 3.547 1 1 -5.20858406317314 2794872 C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=O 1 1.333 2 4 0 -1.44445142534843 2794851 C1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Br-] Br- 1 3.598 1 1 3.8706918401068 2794795 CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)O 1 2.755 1 2 0.64372670264871 2794667 C1=CC(=CC(=C1)Cl)C2=NC(=CS2)C(=O)O 1 2.933 1 2 3.00304164131131 2794647 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)CBr 1 3.865 1 1 6.48645236194234 2794451 COC1=C(C=C(C=C1)NC(=O)C#CC2=CC=CC=C2)OC 1 3.172 1 3 -2.315374034636 2794423 C1=CC2=C3C(=C1)C(=CC(=O)C3=CC=C2)N 1 1.583 1 1 0 1.65003324569074 2794059 CC(C1=CC=CC=C1)NC(=O)NC2=CC=CC=C2 1 2.907 2 1 -8.16870743484419 2794045 C1CCC(C1)C(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 4.36 1 1 -6.72012181327911 2794036 C1CC(C2=CC=CC=C2C1)NC(=O)NC3=CC=CC=C3 1 3.545 2 1 -4.35780204130614 2794034 C1CC(C2=CC=CC=C2C1)NC(=O)C3=CC=CC=C3 1 3.637 1 1 -6.70388626254878 2794033 C1CC(C2=CC=CC=C2C1)NC(=O)NC3=CC=CC4=CC=CC=C43 1 4.453 2 1 -6.30473448296813 2793798 C1C(OC(=O)N1CC2=CC=CC=C2)CO 1 1.114 1 3 0 -2.57238993868623 2793774 C1C(OC(=O)N1)COC2=CC=CC3=CC=CC=C32 1 2.404 1 3 -2.86460557424599 2793684 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)O 1 2.189 1 6 0 -11.1604675034782 2793683 CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)O 1 2.554 1 5 -12.7860992353705 2793644 C1CN(C(C2=CC=CC=C21)CC(=O)O)S(=O)(=O)C3=CC=CC=C3 1 2.363 1 4 -18.6008244837744 2793640 CC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C(=O)O.Cl Cl- 1 2.956 3 2 5.46239409272358 2793606 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 2.214 2 4 -15.1255539876733 2793589 COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)O)OC 1 2.189 1 6 0 -16.0301229296178 2793577 CC1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CCO 1 1.838 2 2 0 -13.4929961573467 2793407 C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)O 1 -0.16 1 4 0 -9.11561326825602 2793381 C1C(=O)N(C(=O)S1)CC2=CC=CC(=C2)C(=O)O 1 1.464 1 4 0 -10.5033758971932 2793363 CCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CC=C3Br 1 4.175 2 3 -12.2737340142915 2793325 C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=C(C=C3)O 1 2.206 2 2 -0.263250732966751 2793310 CC1=CC(=C(C=C1)OCCCC(=O)NC2=NN=C(S2)C3CCCO3)C 1 3.059 3 3 -12.2196074205743 2793214 CCC1=CC2=C(S1)N=CN(C2=O)C(C)C(=O)OC3CCCCC3 1 3.604 2 3 -13.4411770058044 2793146 [B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[NH+]CCO)C3=C(O2)C=CC(=C3)Cl F[B-](F)(F)F 1 3.418 1 2 6.10419014770589 2793145 [B-](F)(F)(F)F.CN(C)CC[NH+]=C1C=C(OC2=C1C=C(C=C2)Cl)C3=CC=CC=C3 F[B-](F)(F)F 1 4.096 2 1 5.74259725220651 2793144 [B-](F)(F)(F)F.C1COCCN1CCC[NH+]=C2C=C(OC3=C2C=C(C=C3)Cl)C4=CC=CC=C4 F[B-](F)(F)F 1 3.846 2 2 4.53766921290686 2793128 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 2.142 3 7 0 -21.7541486742921 2793113 CC1=C(C(=CC=C1)C)OCC(=O)NC2=NN=C(S2)C3CCCO3 1 2.489 3 3 -13.7350904708016 2793098 CC(C(=O)O)OC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2 1 2.892 1 4 -12.7763896230043 2793097 CC(C(=O)O)OC1=CC=C(C=C1)C(=O)NC2CCCCC2 1 2.845 1 4 -12.1705000611515 2793088 COC1=CC=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.316 2 8 0 -17.7819770493965 2793076 CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=C3 1 5.63 2 3 -13.0080954942017 2793015 CC1(C(=O)N=C2N1C=CC=C2)CC(=O)O 1 -0.211 2 3 0 -10.3479811507432 2793014 CN1CCCC2=C1C=CC(=C2)C=O 1 2.282 1 1 -8.19365223192001 2793007 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC=CS2 1 2.366 2 4 -18.4926471948007 2793006 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.307 3 6 0 -19.9590953578128 2792869 CC1CCC2=C(C1)SC3=C2C(=O)NN=N3 1 3.047 3 1 -15.9854096439933 2792868 CCOC(=O)C1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C(C)C(=O)OCC 1 3.095 2 5 0 -22.1778561889067 2792832 CCOC1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 2.66 2 6 0 -8.22527604887965 2792818 CC1=CC(=C(C=C1)OCCCC(=O)NC(C)C2=CC=CC=C2)C 1 4.376 1 2 -12.2947341288712 2792659 CC1=NNC(=O)N=C1N2CCC3=CC=CC=C3C2 1 1.21 4 1 0 -10.055413402996 2792631 CC(C(=O)O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)OC 1 2.585 0 7 0 -10.7882948189706 2792630 CC(C(=O)O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=C(C=C3)Cl 1 4.652 0 5 -1.38979944026211 2792534 CC(C)OC(=O)C(C)OC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2 1 3.844 1 4 -15.3910821866994 2792515 CCC1=CC=CC=C1NC2=NC(=O)NN=C2C 1 1.865 4 1 0 -8.58952559770059 2792512 CC1=NNC(=O)N=C1NC2=CC=CC=C2OC 1 0.906 4 2 0 -10.0386564472629 2792419 C1CC(N(C1)C2=NC=NC3=CC=CC=C32)C(=O)O 1 1.547 3 2 0 0.408896196180458 2792414 CCCCC(C(=O)O)NC1=NC=NC2=CC=CC=C21 1 2.665 3 2 -5.97741565362901 2792413 C1=CC=C2C(=C1)C(=NC=N2)NCCCCCO.Cl Cl- 1 1.822 3 1 0 3.06791198306821 2792409 C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)F.Cl Cl- 1 3.045 3 0 7.82120908805533 2792407 COC1=CC(=C(C=C1)NC2=NC=NC3=CC=CC=C32)OC.Cl Cl- 1 2.807 3 2 4.01467836251883 2792402 CC1(CC2CC(C1)(CN2C3=NC=NC4=CC=CC=C43)C)C 1 3.511 3 0 -3.16677527653883 2792398 CCOCCCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3.Cl Cl- 1 3.163 3 1 3.26698445358571 2792397 CC(C)OCCCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3.Cl Cl- 1 3.541 3 1 3.51668854412665 2792377 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCCC(=O)O.Cl Cl- 1 3.194 3 2 -3.66013899040286 2792371 C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)O.Cl Cl- 1 4.477 3 1 4.62198017673964 2792369 CC1CCC2=C(C1)SC3=NC=NC(=C23)NCCCOC(C)C.Cl Cl- 1 3.752 3 1 -10.9365874709484 2792336 CC1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)N4CCCCC4 1 2.56 3 2 -23.712644131354 2792304 CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)C 1 3.41 2 1 -16.0968351277209 2792301 CCCCC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OCC 1 5.421 2 4 -12.6673206537668 2792297 CC(C)C1=CC=CC=C1NC(=O)COC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC5=CC=CC=C5C=C4 1 5.375 1 5 -6.88197204719287 2792244 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)C(C)OC3=C(C=C(C=C3)Cl)C 1 6.003 1 4 -7.32476322739314 2792230 CC(C1=CC=CC=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 2.728 2 4 -11.3705600907528 2792223 CC1=CC(=NC(=C1C#N)SCC2=C(C=CC=C2F)[N+](=O)[O-])C 1 4.091 3 2 -11.195003738096 2792219 CN(C1CCS(=O)(=O)C1)C(=O)COC2=CC=CC=C2 1 0.587 1 4 0 -15.5413983912449 2792216 C1COCCN1CCNC(=S)NC(=O)C2=CC=CC=C2Cl 1 2.402 3 2 -12.5366652100846 2792206 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)NCCN 1 2.163 3 2 -18.9010283870626 2792203 CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)C4=CC=CC=C4 1 5.083 2 1 -14.0864250411219 2792137 CC1=CC(=C(C=C1)C)OCCCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC 1 3.869 2 5 0 -11.397245466377 2792090 C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C=O)C4=CC=CC=C4 1 4.94 2 1 -6.41262762404263 2792084 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3CCCO3 1 2.997 1 4 -12.9425777009316 2792080 CC1=NN=C(N1N)SCC2=CC(=CC=C2)OC3=CC=CC=C3 1 3.19 4 1 -8.31205392330437 2792060 CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)C4=CC=C(C=C4)C 1 5.57 2 1 -13.2907774736126 2792014 CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OC)C 1 2.94 2 3 -3.08795723359954 2792013 CCC(C(=O)O)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=C(C=C3)C)C 1 3.723 2 3 -2.05614996338576 2792012 CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)C)C 1 2.815 2 2 -2.49552241951569 2792011 CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC#N)C 1 2.964 3 1 -5.23030126571537e-002 2792009 CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC=C)C 1 3.85 2 1 -1.91775025672674 2792008 CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N)C 1 2.087 3 2 -2.51530860800094 2792006 CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)O)C 1 2.715 2 3 -4.09207456780628 2792005 CCCN1C=NC2=C(C1=O)C(=CS2)C3=CC(=C(C=C3)C)C 1 4.106 2 1 1.00841409670504 2792004 CCN1C=NC2=C(C1=O)C(=CS2)C3=CC(=C(C=C3)C)C 1 3.582 2 1 1.89137650646616 2792003 CCC(C(=O)OC)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=C(C=C3)C)C 1 3.948 2 3 -2.87607603963205 2791997 CCOC(=O)C(C)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=C(C=C3)C)C 1 3.773 2 3 -2.55202382698297 2791996 C1COCCN1C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl 1 3.037 3 2 -1.40682443009453 2791995 C1CCC2=C(C1)C3=C(S2)N=C(OC3=O)C4=CC=CO4 1 3.705 1 3 -11.073513992272 2791994 CCC1=NC(=NN1)SCC2=CC=C(C=C2)Br 1 3.912 3 0 -4.15061848750314 2791913 CC(C)OC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2 1 3.765 0 3 -3.96910724572905 2791902 CC1=CC=CC2=C1N=C(C=C2NC3=CC=C(C=C3)N4CCOCC4)C.Cl Cl- 1 4.185 3 1 5.6370646574837 2791878 CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCCCN3CCOCC3 1 2.122 3 5 0 -7.22648798574622 2791873 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC(C)O)Br 1 2.615 2 3 9.35228566345869e-003 2791872 C1CN(CCN1CCO)C2=NC=NC3=C2C=C(C=C3)Br.Cl Cl- 1 1.635 4 1 0 10.8289128961806 2791855 CC1CCC2=C(C1)SC3=NC=NC(=C23)NCCCOC 1 3.026 3 1 -9.67837962275962 2791829 CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C(C)C(=O)C 1 2.813 2 2 -2.25372191839278 2791828 CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C(C)C(=O)O 1 2.713 2 3 -3.44609066682449 2791827 CCC(C(=O)OC)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C 1 3.462 2 3 -5.39252075382384 2791824 CCOC(=O)C(C)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C 1 3.287 2 3 -5.06846854117476 2791823 CCCOC(=O)C(C)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C 1 3.811 2 3 -4.05746922411544 2791802 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C=NC4=C(C3=O)C5=C(S4)CCCC5 1 4.388 3 4 0 -32.6863020414088 2791797 CCC(C(=O)OC)N1C=NC2=C(C1=O)C(=C(S2)C(=O)OCC)C 1 2.439 2 5 0 -19.0937170483744 2791783 CC1=CC(=O)N=C(N1)NC2=CC=C(C=C2)C(=O)OC 1 1.194 3 3 0 -11.3625234850827 2791745 CC(C1=CC=CC=C1)NC(=O)CCCOC2=CC=C(C=C2)OC 1 3.387 1 3 -14.2160575933263 2791632 C1CNC(C2=CC=CC=C21)C3=CC=NC=C3 1 1.903 2 0 0 -7.22039160664975 2791631 C1CNC(C2=CC=CC=C21)CC(=O)O.Cl Cl- 1 -1.504 1 2 0 -11.4636333911844 2791627 CC1CCC2=C(C1)SC3=C2C(=O)OC(=N3)C4=CC=CS4 1 4.515 1 2 -15.9760061397619 2791626 CC1=CC(=NN1C(CC(=O)O)C(=O)O)C 1 0.254 2 4 0 -9.86169216178529 2791622 C1CCCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 3.228 1 2 -10.9979364855047 2791617 C1=CC=C(C=C1)CNC(=O)COC2=CC=C(C=C2)Cl 1 3.121 1 2 -7.30281724708219 2791616 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4C(=O)C5=CC=CC=C5C4=O 1 3.993 3 3 1.59069282939942 2791614 COC1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OC 1 2.733 2 5 0 -11.156351748212 2791585 CCOC(=O)C1=C(C2=CC=CC=C2N=C1)NC3=CC=C(C=C3)C(=O)O.Cl Cl- 1 3.4 2 4 9.57596062540933e-002 2791584 CCOC(=O)C1=C(C2=CC=CC=C2N=C1)NC3=CC=CC(=C3)C(=O)O.Cl Cl- 1 3.4 2 4 0.450711926600487 2791582 C1=CC2=C(N=C(N2C=C1)C3=CC=C(C=C3)Cl)C=O 1 3.369 2 1 3.01467494831969 2791564 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC(=CN=C2)Br 1 2.593 3 3 -8.26380317994005 2791457 CC1CCCN(C1)C2=C(C(=O)N(C2=O)C3=CC(=CC=C3)Cl)Cl 1 3.429 2 2 -0.6357274109734 2791456 CC1CCCN(C1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC)Cl 1 2.748 2 3 -4.17886514211499 2791448 C1=CC=C(C=C1)CCNC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl 1 3.225 2 2 -1.56342773312064 2791433 COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)OC3=CC(=CC=C3)OC 1 2.988 1 5 -2.48550542221934 2791423 CCC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC5=CC=CC=C5OC4=O 1 5.056 0 7 0 -12.6715796405844 2791414 CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC5=CC=CC=C5OC4=O 1 4.6 0 7 0 -11.1456068984135 2791392 CC1=C(SC=C1)C=NNC2=C(C(=O)NN=C2)Cl 1 1.312 4 1 0 -6.34593457377479 2791388 CC1=NNC(=O)N=C1NC2=CC=C(C=C2)OC 1 0.906 4 2 0 -8.78031355144774 2791387 CC1=NNC(=O)N=C1NC2=CC(=CC=C2)OC 1 0.906 4 2 0 -8.03086690522748 2791382 CC1=CC=C(C=C1)NC2=NC(=O)NN=C2C 1 1.409 4 1 0 -8.55564393663741 2791379 CC1=NNC(=O)N=C1NC(C)C2=CC=CC=C2 1 1.307 4 1 0 -11.2310471426741 2791353 CC1=C(SC=C1)C=NNC2=NC(=O)NN=C2C 1 1.431 5 1 0 -10.5412922588842 2791348 CC1=CC(=NC(=C1C#N)SC2CCCCC2=O)C 1 3.293 2 1 -7.35702753123586 2791333 CN(C)CCCNC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC.Cl Cl- 1 3.068 4 1 8.50215836970169 2791329 CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)C(C)C(=O)OC)C 1 1.916 2 5 0 -18.8317972709838 2791249 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CCCO3 1 2.792 1 4 -14.1289711427121 2791251 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3CCCO3 1 2.2 1 4 -23.1804283456932 2791252 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C3CCCO3 1 2.775 1 5 -13.996377986906 2791261 CCOC(=O)C(C)N1C=NC2=C(C1=O)C3=C(S2)CCC3 1 2.21 2 3 -17.958149017169 2791265 CCOC(=O)C(C)N1C=NC2=C(C1=O)C(=C(S2)C)C 1 1.914 2 3 0 -12.1894546156388 2791262 CCCOC(=O)C(C)N1C=NC2=C(C1=O)C(=C(S2)C)C 1 2.438 2 3 -11.1784552985795 2791211 COC1=CC=CC=C1N/C=C(\C#N)/C2=NC3=CC=CC=C3N2 1 2.902 4 1 -2.52659207512661 2791197 CC(C(=O)O)N1C=NC2=C(C1=O)C3=C(S2)CCCC3 1 2.091 2 3 -16.6445812637034 2791194 CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)O 1 3.388 1 2 -0.816849688451368 2791070 CC1=NNC(=O)N=C1NN=CC2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 0.869 6 4 0 -14.4990321552825 2790990 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=CC(=C3)C(=O)O)C(=O)OC.Cl Cl- 1 3.255 2 6 0 -3.1138066592577 2790974 CC1=NC2=C(C=C(C=C2)C(=O)OC)C(=C1)NC3=CC=C(C=C3)N(C)C.Cl Cl- 1 3.866 3 2 0.136484006106909 2790969 CC1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)C(=O)OC)C.Cl Cl- 1 4.19 2 2 2.60947379038576 2790968 CC1=CC=CC=C1NC2=CC(=NC3=C2C=C(C=C3)C(=O)OC)C.Cl Cl- 1 4.19 2 2 2.39775327357912 2790961 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C.Cl Cl- 1 3.532 4 0 12.1505594229151 2790953 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCC4=CN=CC=C4 1 3.802 4 0 5.60520729874267 2790933 CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)OC3CCCCC3)C 1 3.424 2 3 -13.0354884048248 2790842 COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)O 1 2.205 1 5 -12.0198760836625 2790827 CN1CCC(CC1)N(C)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].Cl Cl- 1 3.094 5 2 0 5.27197498362481 2790804 C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.136 4 3 0 1.8387138086809 2790788 CC1=CC(=C2C(=C1)C(=CC(=N2)C)NC3=CC=CC(=C3)C(=O)C)C.Cl Cl- 1 4.561 2 1 2.5505100080233 2790774 CCOC1=CC2=C(C=C1)N=C(C=C2NC3=CC(=CC=C3)[N+](=O)[O-])C.Cl Cl- 1 4.075 3 3 4.2228651945649 2790768 CCOC1=CC2=C(C=C1)N=C(C=C2NC3=CC4=C(C=C3)OCCO4)C.Cl Cl- 1 3.967 2 3 2.2884642730934 2790754 CCOC1=CC2=C(C=C1)N=C(C=C2NC3=CC=C(C=C3)N4CCOCC4)C.Cl Cl- 1 4.031 3 2 5.34905449329774 2790751 CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCCN3CCOCC3.Cl Cl- 1 2.188 3 4 0 -5.96892337657081 2790728 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCCN3CCOCC3)C.Cl Cl- 1 2.341 3 3 -4.2375959598761 2790722 CCOC(=O)C1=CN=C2C(=C1N3CCN(CC3)C)C=CC(=C2Cl)Cl.Cl Cl- 1 3.668 3 2 0.246053523403649 2790719 CCOC(=O)C1=CN=C2C(=C1NCCN3CCOCC3)C=CC(=C2Cl)Cl.Cl Cl- 1 3.184 3 3 -5.74872199549896 2790677 CC1=CC(=CC=C1)OCCCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC 1 3.383 2 5 0 -11.4045644654627 2790668 CC1=CC(=CC=C1)OCCCC(=O)NC(C)C2=CC=CC=C2 1 3.89 1 2 -12.6633662503686 2790655 COC1=C(C=C(C=C1)CCNC(=O)CCCOC2=CC=C(C=C2)Cl)OC 1 3.979 1 4 -13.7218106668458 2790654 CC(C1=CC=CC=C1)NC(=O)CCCOC2=CC=C(C=C2)Cl 1 4.068 1 2 -11.8358161223958 2790640 CC1=CC=C(C=C1)OCCCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC 1 3.383 2 5 0 -12.3565693503798 2790630 CC1=CC=C(C=C1)OCCCC(=O)NC(C)C2=CC=CC=C2 1 3.89 1 2 -13.6578148129826 2790608 CCOC(=O)C1CC2=C(C(N1)C)NC3=CC=CC=C23.Cl Cl- 1 2.489 2 2 -8.50300607049875 2790607 CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC3=CC=CC=C32.Cl Cl- 1 3.044 3 2 0.847524252036053 2790605 COC1=CC=CC(=C1)NC2=NC=NC3=CC=CC=C32.Cl Cl- 1 2.823 3 1 7.34841827314141 2790603 C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)O.Cl Cl- 1 2.598 3 1 8.98920617372922 2790597 C1COCCN1CCCNC2=C3C=CC=CC3=NC4=CC=CC=C42 1 3.05 3 1 2.38930683611257 2790584 CC1=NC2=C(C=C(C=C2)OC)C(=C1)NC3=CC=C(C=C3)N4CCOCC4.Cl Cl- 1 3.682 3 2 6.44815716297011 2790571 CC1=NC2=C(C=C(C=C2)Cl)C(=C1)NC3=CC4=C(C=C3)OCCO4.Cl Cl- 1 4.299 2 2 5.77287043199089 2790532 CC1CCCN(C1)CC2=C(NC3=C(C2=O)C=C(C=C3)OC)C 1 2.98 2 2 -5.42720537302777 2790527 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=CC=C4)O.Cl Cl- 1 4.661 2 1 12.2788076694359 2790517 CC(C(=O)NN=CC1=CC(=C(C=C1)OC)OC)N2C=NC3=CC=CC=C3C2=O 1 2.112 4 4 0 -12.7102686365482 2790516 CC(C(=O)NN=CC1=CC=C(C=C1)OC)N2C=NC3=CC=CC=C3C2=O 1 2.129 4 3 0 -8.83108508696895 2790483 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2CCCO2 1 2.255 1 6 0 -24.3117346102045 2790478 CC1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.616 1 6 0 -16.1556964234104 2790477 CCN1CCN(CC1)C2=C3C4=C(CC(CC4)C)SC3=NC=N2 1 3.754 4 0 -4.7701073682827 2790473 CC1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=CS3 1 3.619 1 3 -12.8154371981936 2790404 CC1=CC(=C(C=C1)NC(=O)C2=CC(=CN=C2)Br)[N+](=O)[O-] 1 2.593 3 3 -5.81485627351807 2790388 C1=CSC(=C1)C=NNC2=C(C(=O)NN=C2)Cl 1 0.826 4 1 0 -8.11486857858367 2790386 C1=CN=CC=C1C=NNC2=C(C(=O)NN=C2)Cl 1 -0.278 5 1 0 -6.95622892989842 2790383 CC1=CC=C(C=C1)C=NNC2=C(C(=O)NN=C2)Cl 1 1.358 4 1 0 -6.76997884776028 2790382 CC1=CC=CC(=C1)C=NNC2=C(C(=O)NN=C2)Cl 1 1.358 4 1 0 -5.24804034307761 2790368 COC1=CC=CC=C1C=NNC2=C(C(=O)NN=C2)Cl 1 0.856 4 2 0 -6.80794946041034 2790354 CC1CCC2=C(C1)SC3=NC=NC(=C23)N4CCOCC4 1 3.136 3 1 -7.73194298355827 2790352 CCC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)SC4=NN=C(C(=O)N34)C 1 1.99 4 3 0 -0.179670629537997 2790347 CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCOCC3 1 2.158 2 3 -5.01104226508421 2790341 CCCOC(=O)C(C)N1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 3.763 2 3 -9.85874016802342 2790339 C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NC4=CC=CC(=C4)C(=O)O.Cl Cl- 1 2.939 4 2 3.68290547550752 2790335 CCOC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4.Cl Cl- 1 3.513 4 2 0.350149365867165 2790212 C1=CC(=CN=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br 1 2.106 3 3 -9.02036174258003 2790202 CC(C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br 1 2.722 2 3 -10.8592984616258 2790144 CCCCOC(=O)NC1=C(C2=C(S1)CCC2)C(=O)OC 1 3.491 1 4 -16.2545627460339 2790173 CC1=CC2=C(C=C1)N=C3CCCC3=C2NC4=CC5=C(C=C4)OCCO5.Cl Cl- 1 4.902 2 2 2.07735125222736 2790153 C1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 3 2 3 -10.1473931828127 2790116 CC1=CC=CC2=C1N=C(C=C2NC3=CC4=C(C=C3)OCCO4)C.Cl Cl- 1 4.121 2 2 2.57647443727936 2790108 CC1=CC=CC2=C1N=C(C=C2NC3=CC=CC(=C3)C(=O)C)C.Cl Cl- 1 4.075 2 1 2.66493779428915 2790107 CC1=CC=CC2=C1N=C(C=C2NC3=CC(=CC=C3)[N+](=O)[O-])C.Cl Cl- 1 4.229 3 2 4.08710822457144 2790079 CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3)C=CC(=C2)O)N 1 2.945 1 4 -5.53246837947992 2790075 C1=CC(=C(C(=C1)Cl)C=NNC2=NC=CS2)Cl 1 3.137 3 0 -1.30373212335339 2790074 CCOC(=O)CC1=CSC(=N1)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.37 4 4 0 -10.119019560985 2790070 CC1=CC2=C(C=C1)N=CN=C2NCCCCCC(=O)O.Cl Cl- 1 2.713 3 2 -3.6928918913139 2790069 CC1=CC2=C(C=C1)N=CN=C2NCCC(=O)O.Cl Cl- 1 1.479 3 2 0 -0.514816276185555 2790066 COC1=CC=C(C=C1)NC2=C3CCCC3=NC4=CC=CC=C42.Cl Cl- 1 4.614 2 1 5.77686267466318 2790065 CC(=O)C1=CC(=CC=C1)NC2=C3CCCC3=NC4=CC=CC=C42.Cl Cl- 1 4.37 2 1 2.59553568117403 2790062 COC(=O)C1=CC(=CC=C1)NC2=C3CCCC3=NC4=CC=CC=C42.Cl Cl- 1 4.485 2 2 1.2652512164383 2790061 C1CC2=C(C3=CC=CC=C3N=C2C1)NC4=CC5=C(C=C4)OCCO5.Cl Cl- 1 4.416 2 2 2.18069941650959 2790056 CC1=CC=C(C=C1)NC2=C3CCCC3=NC4=CC=CC=C42.Cl Cl- 1 5.116 2 0 6.18982888380732 2790055 CC1=CC(=CC=C1)NC2=C3CCCC3=NC4=CC=CC=C42.Cl Cl- 1 5.116 2 0 8.37282146214426 2790054 C1CC2=C(C3=CC=CC=C3N=C2C1)NC4=CC=CC=C4.Cl Cl- 1 4.63 2 0 5.86476174842156 2790049 CN(C)CCCNC1=C2CCCC2=NC3=CC=CC=C31.Cl Cl- 1 3.09 3 0 2.63932193451757 2790046 COCCNC1=C2CCCC2=NC3=CC=CC=C31.Cl Cl- 1 2.758 2 1 -0.978638308073751 2790044 CC(C)CNC1=C2CCCC2=NC3=CC=CC=C31.Cl Cl- 1 4.08 2 0 1.62308650579 2790042 C1CC2=C(C3=CC=CC=C3N=C2C1)NCC4=CC=CC=C4.Cl Cl- 1 4.472 2 0 2.2771516251975 2789984 CC1=CSC(=N1)NN=CC2=CC=CC=N2 1 1.369 4 0 0 0.242966154964483 2789983 C1CCC(CC1)N2C(=O)C(=C(C2=O)Cl)NCC3CCCO3 1 1.632 2 3 0 -10.2534203660796 2789942 CC(=NNC(=S)N)C1=CC=CC=C1[N+](=O)[O-] 1 1.674 4 2 0 -7.54411041086653 2789933 CC1=CC(=C(C=C1)OCC(=O)NCC2CCCO2)C 1 2.204 1 3 -11.7914044052799 2789895 C1=CC(=CC=C1NC(=O)C2=CC(=CN=C2)Br)[N+](=O)[O-] 1 2.106 3 3 -5.80904281696005 2789843 C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)NN=CC3=CC=C(C=C3)Cl)Cl 1 3.319 4 1 -1.62073399085421e-002 2789846 COC1=CC=C(C=C1)C=NNC2=C(C(=O)NN=C2)Cl 1 0.856 4 2 0 -7.18294505690442 2789853 C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)O 1 2.917 1 1 -2.36780085892054 2789814 CC1=CC2=C(C=C1)N=C(C=C2NCCO)C.Cl Cl- 1 2.054 2 1 5.38472337148102 2789813 CC1=CC2=C(C=C1)N=C(C=C2N3CCOCC3)C.Cl Cl- 1 2.634 2 1 3.92448414584985 2789770 CCOC(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)N 1 2.366 2 3 -11.8573893099559 2789802 CC1=CC2=C(C=C1)N=C(C=C2NC3=CC=CC(=C3)C(=O)C)C.Cl Cl- 1 4.075 2 1 4.78397145760031 2789799 CC1=CC2=C(C=C1)N=C(C=C2NC3=CC4=C(C=C3)OCCO4)C.Cl Cl- 1 4.121 2 2 4.2717409664111 2789795 CC1=CC2=C(C=C1)N=C(C=C2NC3=CC=C(C=C3)C(=O)OC)C.Cl Cl- 1 4.19 2 2 4.01685526803841 2789794 CC1=NC2=CC=CC=C2C(=C1)NCCOC.Cl Cl- 1 1.976 2 1 0 -2.16444424014481 2789792 CC1=NC2=CC=CC=C2C(=C1)NCC3=CC=CC=C3.Cl Cl- 1 3.691 2 0 1.39151121666864 2789790 CC1=NC2=CC=CC=C2C(=C1)NC3=CC=C(C=C3)C(=O)OC.Cl Cl- 1 3.704 2 2 0.729352447996753 2789787 CC1=NC2=CC=CC=C2C(=C1)NC3=CC4=C(C=C3)OCCO4.Cl Cl- 1 3.634 2 2 0.984238146369447 2789786 CC1=NC2=CC=CC=C2C(=C1)NC3=CC=C(C=C3)OC.Cl Cl- 1 3.832 2 1 4.72023930874467 2789783 CC1=NC2=CC=CC=C2C(=C1)NC3=CC=CC(=C3)C(=O)C.Cl Cl- 1 3.588 2 1 1.39907441103388 2789713 CC1=C(C2=CC=CC=C2N1)C(C3=CC=NC=C3)O 1 2.126 2 1 -1.4398089718881 2789708 COCCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3.Cl Cl- 1 2.752 3 1 4.65423492292691 2789707 CCN(CC)CCCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3.Cl Cl- 1 3.782 4 0 6.71060192475145 2789706 CN(C)CCCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3.Cl Cl- 1 3.084 4 0 8.27219516551823 2789697 CCN(CC)CCCNC1=NC=NC2=CC=CC=C21.Cl Cl- 1 2.162 4 0 2.33656373928237 2789695 CC1=C(C(=CC=C1)C)NC2=NC=NC3=CC=CC=C32.Cl Cl- 1 3.812 3 0 5.16354456727783 2789688 COC1=C(C=C(C=C1)C=NNC2=CC=C(C=C2)C(=O)O)Br 1 3.81 2 3 -1.66858738324641 2789683 CCOC(=O)C(C1=CC=CC=C1)SC2=NC=NN2 1 2.448 3 2 -12.1397931185955 2789677 CC1=NNC(=O)N=C1NN=CC2=CC=CS2 1 0.945 5 1 0 -12.1219296693593 2789665 CC1=NNC(=O)N=C1NN=CC2=CC(=C(C=C2)OC)OC 1 0.958 5 3 0 -15.0691896972594 2789634 CCCOC(=O)C1=CC(=CC=C1)NC(=O)C(C)(C)C 1 3.224 1 3 -15.0367935691946 2789628 CCOCCOC(=O)C1=CC=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2 1 2.46 1 6 0 -11.4009590314523 2789617 CC(C(=O)NC1=CC=CC=C1C(F)(F)F)OC2=CC=C(C=C2)OC 1 3.86 1 3 -8.23449957749643 2789613 CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)OC 1 2.812 2 5 0 -10.2562076224601 2789612 CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC2=CC=C(C=C2)OC 1 2.812 2 5 0 -10.217829569548 2789606 CC(C(=O)NCCC1=NC2=CC=CC=C2N1)OC3=CC=C(C=C3)OC 1 2.881 3 3 -9.4877269135801 2789592 CC(C(=O)NC1=CC=CC=C1F)OC2=CC=C(C=C2)OC 1 3.123 1 3 -8.62786505794538 2789587 CC(C1=CC=CC=C1)NC(=O)C(C)OC2=CC=C(C=C2)OC 1 3.302 1 3 -8.60080403528582 2789573 CC(C(=O)NC1=CC(=CC=C1)OC)OC2=CC=C(C=C2)OC 1 2.901 1 4 -8.30804670325616 2789559 C1CCC2=C(C1)C(=C(S2)NC(=O)C3CCCO3)C(=O)N 1 1.455 2 3 0 -19.226138139609 2789555 C1=CC=C(C=C1)C(=NNC(=O)C2=CC=NC=C2)CCC(=O)O 1 1.358 3 3 0 -10.765942755853 2789545 C1=CC(=CN=C1)C=NNC2=NC(=CS2)C3=C(C=C(C=C3)Cl)Cl 1 3.933 4 0 6.57118505318843 2789527 CC1=NNC(=O)N=C1N2CCN(CC2)C3=CC=CC=C3 1 1.181 5 1 0 -5.77447626025663 2789524 CC1=NNC(=O)N=C1NCCC2=CC(=C(C=C2)OC)OC 1 1.218 4 3 0 -13.5842211616292 2789523 CC1=NNC(=O)N=C1NCCC2=CC=CC=C2 1 1.251 4 1 0 -9.98795512889558 2789522 CC1=NNC(=O)N=C1NCC2=CC=CC=C2 1 0.929 4 1 0 -11.207944124666 2789521 CC1=NNC(=O)N=C1NCC2CCCO2 1 -0.295 4 2 0 -15.0246103937035 2789504 CC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4.Cl Cl- 1 4.2 3 1 5.67202613676623 2789503 COC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4.Cl Cl- 1 4.443 3 1 8.85335313025538 2789491 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCCCCC(=O)O.Cl Cl- 1 3.846 3 2 -0.64341111458885 2789489 CCC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3.Cl Cl- 1 3.372 3 2 -0.298582185382189 2789488 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCC(=O)O.Cl Cl- 1 2.365 3 2 4.08557151255388 2789485 CCN(CC)C1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3.Cl Cl- 1 3.787 3 0 4.75569977947455 2789481 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCO.Cl Cl- 1 2.344 3 1 8.91589971451108 2789477 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4.Cl Cl- 1 3.648 3 1 6.21376728463652 2789467 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3Cl)NC4=CC(=CC=C4)O.Cl Cl- 1 4.882 3 1 10.6626512764489 2789457 CCOC(=O)C1=CN=C2C(=C(C=CC2=C1N3CCOCC3)Cl)C.Cl Cl- 1 3.221 2 3 -2.47972325182705 2789424 CCCCC(=O)NC1=CC2=C(C=C1)OCCO2 1 2.315 1 3 -12.0987457510791 2789423 CC(C(=O)NC1=NC=NN1)N2C(=O)C3=CC=CC=C3C2=O 1 0.284 5 3 0 -15.342148361554 2789416 CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC 1 5.41 1 6 0 -10.9620363419675 2789413 CC1=NNC(=O)N=C1NN=CC2=CC=CO2 1 0.386 5 2 0 -11.1218746139024 2789394 CC1=C(SC(=N1)N)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.402 5 3 0 -5.14179417194487 2789391 CCOC(=O)C1=C(N=C(S1)NN=CC2=CC=C(C=C2)N(C)C)C 1 2.749 4 2 -9.38895351823728 2789390 CCOC(=O)C1=C(N=C(S1)NN=CC2=CC=CC=C2)C 1 2.587 3 2 -6.89961095670898 2789387 C1=CC(=CC(=C1)O)C=NNC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.408 4 3 0 3.70079774475973 2789385 CC1=CSC(=N1)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.985 4 2 0 -3.70152013450667 2789377 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=NC4=CC=CC=C4S3 1 2.372 3 3 -6.57552110053122 2789372 CC1=CC(=CC(=C1)OCCNC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)C 1 3.011 2 4 -14.8800538646438 2789367 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C(C)C)N3C(=O)C4=CC=CC=C4C3=O 1 2.312 5 5 0 -20.5755556248164 2789306 CN(C)CCNC1=NC=NC2=CC=CC=C21.Cl Cl- 1 1.402 4 0 0 3.29842404478591 2789307 C1=CC=C2C(=C1)C(=NC=N2)NCC3=CC=CO3.Cl Cl- 1 2.028 3 1 1.83972909916744 2789308 C1CCN(CC1)C2=NC=NC3=CC=CC=C32.Cl Cl- 1 2.386 3 0 5.92946892036666 2789321 CCC1=CC=CC=C1NC2=NC=NC3=CC=CC=C32.Cl Cl- 1 3.782 3 0 6.33235977169447 2789322 CC1=CC(=CC=C1)NC2=NC=NC3=CC=CC=C32.Cl Cl- 1 3.326 3 0 9.29232464092702 2789357 CCOC(=O)COC1=C(C2=C(C=C1)C3=C(CCC3)C(=O)O2)C 1 3.402 0 5 -12.2765084802437 2789353 CC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C 1 2.422 4 4 0 -12.3829486727797 2789332 CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=CC=CC=C32.Cl Cl- 1 3.044 3 2 1.36824884951302 2789331 COC1=CC=C(C=C1)NC2=NC=NC3=CC=CC=C32.Cl Cl- 1 2.823 3 1 6.69636585344594 2789330 C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F.Cl Cl- 1 3.782 3 0 11.7704916772226 2788101 CC(C(=O)OC1=C(C=C(C=C1)C(=O)C)OC)N2C(=O)C3=CC=CC=C3C2=O 1 2.353 1 6 0 -16.0356487865866 2788079 CC(C1=CC=CC=C1)NC(=S)NC2CCCCC2 1 4.477 2 0 -9.32616842089172 2788076 COC1=C(C=C(C=C1)CCNC(=O)C2CCCCC2C(=O)O)OC 1 2.556 1 5 -12.3105744333885 2788058 CC1=CC(=O)N=C(N1)NN=CC2=C(C=CC(=C2)OC)OC 1 1.375 4 3 0 -11.4245000048892 2788047 CC1=CN=C(NC1=O)NN=CC2=C(C(=CC=C2)OC)OC 1 1.307 4 3 0 -5.06847902143231 2788032 CC1=CC(=CC(=C1)OCC(=O)NC(C)C2=CC=CC=C2)C 1 3.806 1 2 -9.52413565249941 2788031 CC(C)C1=CC=C(C=C1)OCC(=O)NC(C)C2=CC=CC=C2 1 4.028 1 2 -8.44982687203277 2788027 CC(C(=O)NC1=CC(=CC=C1)OC)N2C(=O)C3=CC=CC=C3C2=O 1 1.966 2 4 0 -14.0284414647519 2788010 CC(C)C(C(=O)NC1=CC=CC=C1F)N2C(=O)C3=CC=CC=C3C2=O 1 3.031 2 3 -12.4290448312873 2788002 CC(C(=O)NC1=CC=CC=C1F)N2C(=O)C3=CC=CC=C3C2=O 1 2.188 2 3 -14.5092546436256 2788000 COC1=CC(=C(C=C1)OC)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.714 2 5 0 -11.4131050227139 2787939 CC1CCCCC1NC(=O)C2=CC=CO2 1 2.61 1 2 -8.60658309058119 2787935 C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)NN=CC3=CC=C(C=C3)Br)Cl 1 3.403 4 1 -0.656738083491503 2787887 CCOC(=O)C1=C(N=C(S1)NN=CC2=CC(=CC=C2)C)C 1 3.073 3 2 -5.39402522927577 2787880 C1=CC(=CC=C1C2=CSC(=N2)N)Br.Br Br- 1 2.775 2 0 7.54363159595763 2787821 COC1=CC(=C(C=C1)OC)C=NNC2=NC=CS2 1 1.775 3 2 0 -0.869729445935507 2787814 C1=CC=C(C(=C1)C=NNC2=NC=CS2)[N+](=O)[O-] 1 1.703 4 2 0 -2.17521156255223 2787803 C1=CC(=CC(=C1)Cl)C=NNC2=NC=CS2 1 2.473 3 0 2.62525608041636 2787780 CC1=CC(=O)N=C(N1)NN=CC2=CC=C(C=C2)F 1 1.613 4 1 0 -10.2029400678006 2787779 CC1=CC(=O)N=C(N1)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.302 5 3 0 -13.0092148806231 2787755 CC(C)COC(=O)C(C)NC1=NNC(=S)NC1=O 1 0.968 4 3 0 -18.4601161650935 2787753 CC(C)OC(=O)C(C)NC1=NNC(=S)NC1=O 1 0.503 4 3 0 -18.3301212936221 2787751 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 4.34 1 6 0 -20.8779192918554 2787748 CC(=O)NC1=CC=C(C=C1)NC(=O)C(C(C(=O)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3 1 2.698 2 8 0 -14.5843322593863 2787707 CC(C)CC(C(=O)OC)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC 1 2.411 1 6 0 -20.0651010321191 2787705 CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O 1 1.838 2 5 0 -16.9599631891427 2787668 CC1=NN(C(=C1C=NNC2=NC(=O)C(=NN2)C)Cl)C3=CC=CC=C3 1 1.959 7 1 0 -6.75888922790927 2787654 C1OC2=C(O1)C=C(C=C2)C=NNC3=NC(=O)C=NN3 1 0.681 5 3 0 -10.1002923717436 2787652 CC1=NN(C(=C1C=NNC2=NC(=O)C=NN2)Cl)C3=CC=CC=C3 1 1.881 7 1 0 -6.00789068565218 2787630 CC1=C(SC(=N1)NN=CC2=CC=C(C=C2)N(C)C)C(=O)C 1 2.284 4 1 -6.16539816063837 2787625 CC1=CC=C(C=C1)C=NNC2=NC(=C(S2)C(=O)C)C 1 2.608 3 1 -3.69240837635952 2787619 CC1=C(SC(=N1)NN=CC2=CC=C(C=C2)Br)C(=O)C 1 2.871 3 1 -3.13877283654034 2787613 CC(C(=O)O)NC(=O)COC1=CC=C(C=C1)Br 1 1.587 1 4 0 -10.5711580887022 2787609 CC(C(=O)O)NC(=O)C1=CC=CC=C1Cl 1 1.668 1 3 0 -11.2450564716425 2787566 C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4N3 1 4.062 3 1 -6.26679974407689 2787525 C1=CC=C(C=C1)OCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O 1 2.688 2 4 -11.8988679601028 2787512 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-] 1 3.66 3 3 -10.9837563374416 2787511 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])Cl 1 4.325 3 3 -10.1002122431956 2787483 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.22 2 4 -12.6345770214721 2787473 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.092 2 5 0 -7.89574539909434 2787417 COC(=O)C1CCC2=C1C(=C(S2)NC(=O)C3=CC=CO3)C(=O)OC 1 1.989 1 6 0 -13.281796589354 2787401 C1=CC2=C(C=C1Br)C(=NC=N2)NCCCCCC(=O)O.Cl Cl- 1 2.975 3 2 -3.20569745853323 2787398 CSCCC(C(=O)O)NC1=NC=NC2=C1C=C(C=C2)Br.Cl Cl- 1 2.305 3 2 -7.30884714842348 2787374 CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 4.591 1 6 0 -22.0282743993267 2787359 CCCOC(=O)NC1=C(C2=C(S1)CCC2)C(=O)OCC 1 3.383 1 4 -13.9675465742572 2787356 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)C(=O)N 1 1.389 2 4 0 -6.29318419716174 2787333 CC1=CC=[N+](C2=CC=CC=C12)CCC(=O)O.[Br-] Br- 1 2.85 1 2 -2.00062875128369 2787314 CC1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O 1 3.339 2 3 -13.2074426036777 2787311 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=CS2 1 1.039 3 4 0 -12.1785511746178 2787292 C1CCC(CC1)NC(=S)NCC2=CC=C(C=C2)Cl 1 4.764 2 0 -7.00574287158302 2787287 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCC3=CC=CC=C3Cl 1 3.315 1 3 -15.1253405754844 2787280 CC1=CC=CC=C1NC(=O)NCC2=CC=CO2 1 2.197 2 2 -10.4358599226257 2787278 CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C(=O)OC 1 2.864 2 3 -8.95309165339854 2787276 CC1=CC=CC=C1NC(=O)NC2=C(C=CC(=C2)OC)OC 1 2.976 2 3 -8.28540004539649 2787273 CC1=CC=CC=C1NC(=O)NCC2CCCO2 1 1.791 2 2 0 -13.5377389918254 2787271 CCC(C)NC(=O)NC1=CC=CC=C1C 1 2.682 2 1 -13.1963395680507 2787268 CC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(=O)C 1 2.748 2 2 -4.98199405705639 2787265 CC1=CC=C(C=C1)NC(=O)N2CCCC3=CC=CC=C32 1 3.745 2 1 -6.6393742897617 2787261 CC1=CSC(=N1)NN=CC2=CC=CC=C2F 1 2.296 3 0 7.93607138678543e-002 2787260 CC1=CSC(=N1)NN=CC2=C(C=CC=C2Cl)F 1 2.961 3 0 -2.91685638950711 2787253 CC(C)NC(=O)C(C(C(=O)O)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2 1 2.727 1 7 0 -15.1107181451413 2787239 C1=CC=C(C=C1)CNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 2.351 2 4 -11.2192137250262 2787226 CC(C(=O)NC1=CC=CC=C1OC)N2C(=O)C3=CC=CC=C3C2=O 1 1.966 2 4 0 -16.7861182441672 2787215 CC(C1=CC=CC=C1)NC(=O)COC2=CC=CC=C2Cl 1 3.498 1 2 -10.0247122945961 2787197 COC1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O 1 2.836 2 4 -13.6204088128218 2787194 COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CC=C3Br 1 3.827 2 3 -12.3019053825194 2787190 CC(C)C(C(=O)NC1=NC=CS1)N2C(=O)C3=CC=CC=C3C2=O 1 1.823 3 3 0 -10.9627747010258 2787183 CC(C)NC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 2.688 2 3 -14.9274862115893 2787156 CC1=CC=C(C=C1)OC(C)C(=O)NN=CC2=CC=CC=N2 1 2.767 3 2 -4.2456367587797 2787154 CC(C(=O)OCC1=CC=CC=C1)NC2=NNC(=S)NC2=O 1 1.36 4 3 0 -16.6371883552594 2787124 CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4C3=O 1 2.594 2 5 0 -14.7511461766942 2787119 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3C(F)(F)F 1 2.441 2 3 -7.88364425297037 2787111 C1=CC=C(C=C1)C(C2=C(C=CC3=CC=CC=C32)O)NC(=O)C4=CC=CC=C4Cl 1 5.564 1 2 -7.11295880466431 2787107 CCC(=O)NC(C1=CC=CC=C1)C2=C(C=CC3=CC=CC=C32)O 1 3.902 1 2 -5.17244042792171 2787104 C1CC(OC1)CNC2=C(C(=O)N(C2=O)C3=C(C(=CC=C3)Cl)Cl)Cl 1 2.679 2 3 -11.0357905648677 2787102 C1CCCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.749 2 3 0 -11.2467168911084 2787089 C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=CO3 1 1.022 2 3 0 -11.0005267654282 2787080 C1C(=O)NC2=CC=CC=C2N1C(=O)COC3=CC=C(C=C3)Br 1 2.21 2 3 -11.1926920493709 2787076 CSCCC(C(=O)O)NC(=O)C1=CC=CO1 1 0.726 1 4 0 -17.454120280773 2787073 COC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)[N+](=O)[O-] 1 1.887 2 5 0 -5.58183719762576 2787068 C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CO2)N3C(=O)C4=CC=CC=C4C3=O 1 2.727 2 4 -14.2886572187948 2787063 COC(=O)C(CCCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.624 4 8 0 -24.2389794868245 2787061 C1=CC=C(C=C1)OCC(=O)NC2=NC=CS2 1 1.447 2 2 0 -6.74844793884094 2787059 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=NC=CS3 1 0.495 3 3 0 -8.74828156628645 2787058 CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.659 2 4 -11.1989521123418 2787052 CC1(C(CCC1(C)C(=O)O)C(=O)NCCC2=CC=CC=C2)C 1 3.008 1 3 -7.75643134645903 2787014 CCOC(=O)CC1=CSC(=N1)NN=CC2=CC=CC=C2OC 1 2.459 3 3 -7.74485556773004 2787013 CCOC(=O)CC1=CSC(=N1)NN=CC2=CC=C(C=C2)N(C)C 1 2.638 4 2 -10.4392142823277 2787009 CCOC(=O)CC1=CSC(=N1)NN=CC2=CC(=CC=C2)Br 1 3.224 3 2 -5.31567935737755 2787008 CCOC(=O)CC1=CSC(=N1)NN=CC2=CC=C(C=C2)C(F)(F)F 1 3.418 3 2 -4.18216101638273 2786994 CC1(N(C(CS1)C(=O)O)C=O)C 1 -0.351 1 3 0 -3.88597455255041 2786644 CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCC3=CC=CC=C3 1 2.019 3 3 -6.11394508251933 2786572 CN1C2=CC=CC=C2C3=C(C1=O)N=C(O3)C4=CC=CC=C4 1 3.051 2 2 7.58330566486944 2785962 CN1C2=C(C(=CC(=O)N2C3=CC=CC=C3)NC4=CC=C(C=C4)F)C(=O)N(C1=O)C 1 2.541 4 3 0 -6.06380672423337 2785961 CN1C2=C(C(=CC(=O)N2C3=CC=CC=C3)NC4=CC=C(C=C4)OC)C(=O)N(C1=O)C 1 2.32 4 4 0 -7.18864995884276 2785932 CN1C2=C(C=C3C=CC(=CC3=N2)Cl)C(=O)N(C1=O)C 1 2.366 3 2 -3.75972943938562 2785920 CN1C2=C(C(=O)C(=C1O)CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C 1 2.047 3 4 0 -8.32833285725052 2785887 CN1C2=C(C(=O)C(=C1O)[N+](=O)[O-])C(=O)N(C(=O)N2C)C 1 -0.146 4 6 0 -10.6676082410922 2785886 CN1C(=O)C=C(C2=C1N(C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)NC5=CC=CC=C5 1 3.912 4 3 0 -4.43328253617491 2785858 CN1C2=NC3=CC=CC=C3C=C2C(=O)N(C1=O)C 1 1.701 3 2 0 -5.66116865818921 2785707 CC1(CC(=C(C(=O)C1)Br)O)C 1 1.529 0 2 0 -3.49817435393662 2785619 CC(=O)C1=C(N(C2=CC=CC=C2C1=O)CC3=CC=CC=C3)O 1 3.28 1 3 1.70301378792899 2785469 CC1=CC=C(C=C1)C2=NC3=C(O2)C4=C(N(C(=O)N(C4=O)C)C)N(C3=O)C5=CC=CC=C5 1 3.325 4 4 0 5.91682021302509e-003 2785463 CN1C2=CC=CC=C2C3=C(C1=O)N=C(O3)C4=C(C=C(C=C4)Cl)Cl 1 4.38 2 2 9.80031164289333 2785192 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C3=CC=CO3 1 2.248 2 4 -11.8538893611665 2785144 CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)C 1 2.471 2 3 -9.6160866863723 2785128 CN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3 1 1.277 4 2 0 -4.39963455969243 2785126 CC1=CC(=C(C=C1)O)C(=O)CC(=O)C2=CC=C(C=C2)Cl 1 4.063 0 3 7.87974512131174 2785101 C1=CC=C(C=C1)CC2(C(=O)C3=CC=CC=C3NC2=O)Cl 1 3.125 1 2 -1.91302920500629 2785070 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)C 1 3.025 1 3 0.327461631686095 2785069 C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C=C2O 1 3.589 1 2 2.69844287000076 2785067 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)C 1 2.045 1 3 1.14028530316181 2785064 C1CC2=CC=CC3=C2N(C1)C(=C(C3=O)[N+](=O)[O-])O 1 2.279 2 4 -5.90689363291548 2785054 CN1C2=CC=CC=C2C(=O)C(C1=O)(Cl)Cl 1 1.963 1 2 0 2.17607534265269 2785034 CN1C2=CC=CC=C2C(=O)C(=C1O)CC3=CC=CC=C3 1 3.94 1 2 0.990803971004709 2785026 CCCCC1=C(N2CCCC3=CC=CC(=C32)C1=O)O 1 4.351 1 2 -2.64193774640341 2785025 CCCCC1=C(N(C2=CC=CC=C2C1=O)CCCC)O 1 5.149 1 2 1.03944639715733 2785023 C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C3C2=O)C4=CC=CC=C4)O 1 5.078 1 2 1.97158636782374 2784952 C1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.517 2 3 -4.81627506152425 2784910 COC(=O)C1=C2CCCCCN2C(=CC1=O)O 1 1.678 1 4 0 -9.95026953550114 2784870 CCN1C2=CC=CC=C2C3=C(C1=O)C(=O)C=C(O3)O 1 1.459 1 4 0 -1.20388957386175 2784862 COC1=C(C=C2C(=C1)NC(=O)C(C2=O)(C3=CC=CC=C3)F)Cl 1 3.187 1 3 -5.09552864081097 2784844 CN1C2=CC=CC=C2C(=O)C(=C1O)SC3=CC=CC=C3 1 3.828 1 2 3.17597639003024 2784823 CCOC(=O)C(C1=C(C(=O)N2CCCC3=CC=CC1=C32)[N+](=O)[O-])C(=O)OCC 1 2.111 2 7 0 -13.7717088235202 2784799 C1=CC2=C3C(=C1)C(=C(C(=O)C3=CC=C2)[N+](=O)[O-])O 1 1.984 1 4 0 -1.79906963340002 2784779 CCCCN1C2=CC=CC=C2C3=C(C1=O)C(=O)C=C(O3)O 1 2.439 1 4 -1.53783918068412 2784726 CC1=CC=C(C=C1)NC2=CC(=C(N=C2[N+](=O)[O-])[N+](=O)[O-])OC 1 3.566 4 5 0 -1.18178198907153 2784654 C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C(C2=O)C(=O)C=C(O4)O 1 2.694 1 4 1.32809657680039 2784642 CC1=C(SC(=N1)N)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 1.402 5 3 0 -4.451111349914 2784599 CN(C)C(=O)NC1CCCCCCCCCCC1 1 4.171 2 1 -4.51939498165622 2784470 CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)O 1 1.961 2 3 0 -4.1619352222862 2784468 COC1=CC=C(C=C1)N2C(=CC(=O)C(=N2)C(=O)OC)O 1 2.096 2 5 0 -3.53703566289138 2784430 C1CCC2=C(C1)C3=C4N2C(=C(C(=O)C4=CC=C3)CC5=CC=CC=C5)O 1 5.661 1 2 0.550148854175239 2784339 CC1CN(CC(O1)C)C(=O)C2=CC3=CC=CC=C3OC2=O 1 1.716 1 4 0 -16.7631905404011 2784330 CCC1=C(N(C(=C(C1=O)C2=CC=CC=C2)O)C3=CC=CC=N3)C4=CC=CC=C4 1 5.514 2 2 -1.17598176596063 2784318 CCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2)OCO3)C)C 1 1.387 2 5 0 -20.6281829400018 2784297 CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2)C)C 1 3.237 2 2 -17.9985436733157 2784291 CC1(C2=CC=CC=C2N3C1=CC4=C(C3=O)C(=O)C=C(O4)O)C 1 1.943 1 4 0 0.849826658509927 2784286 CC1(C2=CC(=O)C(=C(N2C3=C1C=C(C=C3)Cl)O)C4=CC=CC=C4)C 1 4.972 1 2 4.45256822093371 2784247 CC(=O)C1=C(N2C3=C(C=C(C=C3)Cl)C(C2=CC1=O)(C)C)O 1 3.184 1 3 1.70647723353232 2784233 CCOP(=O)(C1=CC=CC=C1OCCOCCOC2=CC=CC=C2P(=O)(O)OCC)O 1 2.418 0 9 0 -6.85573051174699 2784192 C1=CC=C(C=C1)C2(C(=O)C3=C(C=CC(=C3)Cl)NC2=O)F 1 3.203 1 2 -0.79462555474197 2784136 C1=CC=C(C=C1)C2(C(=O)C3=C(C(=C(C=C3)Cl)Cl)NC2=O)F 1 3.868 1 2 -0.137172073736921 2784017 C1C(N1S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.042 1 2 -3.65763506086543 2784014 CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)N3CCCCC3 1 3.895 2 2 -13.7920275497409 2783995 COC1=CC=C(C=C1)NC2=CC(N(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 4.192 2 3 -4.36517761980312 2783951 C=CCOC(=O)CCP(=O)(CCC(=O)OCC=C)C1=CC=CC=C1 1 2.968 0 5 -12.9076487885598 2783649 CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)C 1 3.492 1 0 6.57963106237364 2783560 C1COCCN1P(=O)(C(C=O)Br)N2CCOCC2 1 -1.052 2 4 0 -3.19244220160763 2783559 C1COCCN1P(=O)(C(C=O)Cl)N2CCOCC2 1 -1.263 2 4 0 -2.96567706258914 2783541 CC(C)OP(=O)(C(=NNC1=CC=C(C=C1)[N+](=O)[O-])C=O)OC(C)C 1 2.283 3 6 0 -4.47567099719891 2783525 C1=CC=C(C=C1)N2C(=O)C3=CC(=CC(=C3N2)[N+](=O)[O-])[N+](=O)[O-] 1 2.378 4 5 0 -2.92880952672538 2783073 C1=CC=C(C(=C1)CNCC(C(F)(F)F)O)C(F)(F)F 1 2.806 1 1 0.461256754583573 2783071 C1=CC(=NC2=C1C(=CC(=N2)C(F)(F)F)C(F)(F)F)N 1 3.166 3 0 0.60835673598376 2783038 COC(=O)C1CC(CN1C(=O)NC2=CC=CC(=C2)C(F)(F)F)O 1 1.307 2 4 0 -0.697884353743933 2783013 C1=CC=C(C(=C1)C=NO)OC2=CC=C(C=C2)F 1 3.422 1 2 8.16909198390364 2782995 C1=CC(=CC=C1CC2=C(C=C(C=N2)C(F)(F)F)Cl)O 1 4.025 1 1 7.23930661756605 2782994 C1=CC(=CC(=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl)O 1 4.143 1 2 11.8212496006148 2782966 CC1=NN(C(=C1C=O)OC2=CC=CC(=C2)C(F)(F)F)C 1 3.148 2 2 5.38342797132917 2782911 C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)Cl)F 1 3.709 2 0 5.52429182029839 2782199 COC(=O)C(C1=C(C=CC=N1)[N+](=O)[O-])C(=O)OC 1 0.724 2 6 0 -7.72019141593722 2782086 CC(C)C1=NC(=NC(=N1)SC)N 1 1.868 4 0 0 -1.63738007102787 2781945 CCOC(=O)CN1C=C(C(=O)C(=C1)Cl)Cl 1 0.678 1 3 0 -4.9615182489826 2781852 C1=CC2=C(C=C1Cl)ONC2=O 1 1.481 1 2 0 1.86083872373985 2781722 CC1=C(C(=O)NC(=C1Cl)C)C#N 1 0.844 2 1 0 -5.37945280750165 2781710 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=S)N 1 3.575 2 1 -7.95644554953048 2781550 CC1=CC2=CC(=C(N=C2C=C1)Cl)C3=CC=CC=C3 1 4.894 1 0 7.42110143003805 2781239 COC(=O)C1=CC2=NC=CN=C2C=C1 1 1.149 2 2 0 -2.94779621938162 2781179 C1=CC=C2C(=C1)C=CC=[N+]2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-] Br- 1 3.784 2 3 -3.41164687964757 2781028 C1=CC(=NC=C1C(=O)O)OCC(F)(F)F 1 1.839 1 3 0 -3.96533071119108 2780924 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=S)N 1 3.116 2 1 -7.1699600397602 2780865 CC1=NN=C(N1N)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 0.38 7 2 0 -9.88671522713315 2780702 C1C(CN(C1=O)CC2=CC=C(C=C2)F)C(=O)O 1 0.943 1 3 0 -10.2870281548044 2780641 C1=CC(=CC=C1NC(=O)C2=CC3=NO[N+](=C3C=C2)[O-])OC(F)(F)F 1 1.614 3 4 0 5.11964857702717 2780473 C1COCCN1P2(=NC(=NC(=N2)C(F)(F)F)C(F)(F)F)N3CCOCC3 1 0.129 5 2 0 -2.60080546980422 2780461 CCCCNC1=CC(=NC(=N1)N)F 1 2.089 4 0 -3.16682115187643 2780329 CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)C(F)(F)F)Cl 1 4.036 3 1 -1.46211528984219e-002 2780190 CC(=O)NC1=CC2=C(C=C1)C(=O)CCC2 1 1.471 1 2 0 -8.31091696045101 2779962 C1=CN(C=C1)C2=C(C=C(C=C2)C(F)(F)F)N 1 2.901 2 0 2.96026993934622 2779879 CC1=C(SC2=CC=CC=C12)C(=O)C3=CC=CC=C3C(=O)O 1 4.503 0 3 -1.18401142543974 2779849 CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)C1=CC=C(C=C1)C)P(=O)(OCC(C)C)OCC(C)C 1 4.379 1 7 0 -11.2571931427318 2779846 CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)C1=CC=CC=C1)P(=O)(OC(C)C)OC(C)C 1 2.962 1 7 0 -11.2823123525789 2779708 CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)C 1 1.963 2 3 0 -12.6565401267213 2779684 COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)O)OC 1 1.026 1 5 0 -15.1993148133521 2779641 C1CC2=C(C=CC(=C2)C(=O)O)NC1 1 1.799 1 2 0 -9.42333312197268 2779469 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(C3=CC=CO3)O 1 4.045 0 3 -5.48589570450911 2779425 C1CNCCN(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.312 3 2 -1.19378946667594 2779290 C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)C#N 1 3.224 2 0 -4.93722821038861 2779236 C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)O 1 2.418 1 2 2.01628005338224 2779169 CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C(=S)N 1 1.54 3 2 0 -7.32163758748713 2779130 CCOC(=O)CC1C(=S)NC2=CC=CC=C2S1 1 2.989 1 2 -8.72551591398276 2779114 CC(=NOCC1=CC=CC(=C1)C(=O)O)C2=CC=C(C=C2)Cl 1 3.554 1 3 -0.922284283368787 2779102 CC(=NO)C1=CC(=C(C=C1)Cl)Cl 1 2.965 1 1 3.94070623679268 2779100 CC(=NO)C1=CC(=C(C=C1)OC)OC 1 1.604 1 3 0 -2.30552852140867 2779081 C1C(OC2=CC=CC=C2O1)C(=S)N 1 1.472 1 2 0 -2.01950737300896 2779023 C1CSC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NN 1 0.824 3 3 0 -12.5347138674136 2778882 CCOC(=O)C1=C2CCCC(=NOC)C2=C(S1)SC 1 3.281 1 3 -8.12585166102398 2778792 CCOC(=O)CC1C(=O)NC2=CC=CC=C2S1 1 1.617 1 3 0 -11.7028218967335 2778769 CC1(CC2=C(SC(=C2C(=NO)C1)SC)C(=O)OC)C 1 3.351 1 3 -6.92327066259902 2778760 C1CSC(C(=O)N1)C2=CC=CC=C2 1 1.392 1 1 0 -11.9647968034494 2778741 CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SCC3=CC=CC=C3)(C)C 1 5.216 0 3 -16.7338630975517 2778673 CC(C)(C)S(=O)(=O)C1=CN=C(N=C1N)C2=CC=CC=N2 1 1.198 4 2 0 1.17308915973223 2778670 CC(C)(C)S(=O)(=O)C1=CN=C(N=C1N)N2CCCCC2 1 1.281 4 2 0 0.361536065634732 2778665 CC(C)(C)S(=O)(=O)C1=CN=C(N=C1N)N2CCOCC2 1 5.2e-002 4 3 0 -1.22755005707804 2778663 CC(C)(C)S(=O)(=O)C1=CN=C(N=C1N)N2CCCC2 1 0.825 4 2 0 0.716004579802811 2778659 CC(C)S(=O)(=O)C1=C(SC(=C1N)C(=O)OC)SC 1 1.81 1 4 0 -9.30497726959377 2778658 CC(C)S(=O)(=O)C1=CN=C(N=C1N)C2=CN=CC=C2 1 0.565 4 2 0 -4.5396077711288 2778653 CC(C)S(=O)(=O)C1=CN=C(N=C1N)C2=CC=CC=N2 1 0.994 4 2 0 -2.69695991674199 2778642 CCOC(=O)C1=CN=C2C(=C1OC3=CC(=CC(=C3)Cl)Cl)C(=NN2C)C 1 4.104 3 3 -2.30839251601772 2778640 CCOC(=O)C1=CN=C2C(=C1OC3=CC=C(C=C3)OC)C(=NN2C)C 1 2.758 3 4 0 -2.50729013580325 2778601 CC1=NC=C(C(=N1)N)S(=O)(=O)C(C)(C)C 1 0.256 3 2 0 -2.89376868719973 2778591 C1=CC=C(C(=C1)N)SCCS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.464 1 2 -8.10692848524814 2778579 COC(=O)C1=C(C(=CS1)S(=O)(=O)C)N2C=CC=C2 1 2.04 1 4 -9.28590658761447 2778550 COC(=O)[C@H](CCSC)NC(=O)C1=C(N=CC=C1)SC 1 1.487 2 3 0 -24.4679586701842 2778534 CCSC1=C(C=CC=N1)C(=O)N[C@@H](CCSC)C(=O)OC 1 1.835 2 3 0 -24.1176269599183 2778522 C1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2N)C(=O)O 1 1.769 1 4 0 -10.1520168508697 2778504 COC(=O)C1=C(C(=CS1)S(=O)(=O)C2=CC=CC=C2)N 1 1.994 1 4 0 -10.3695241065875 2778500 COC1=CSC=C1C(=O)N 1 0.477 1 2 0 -2.66231412829308 2778379 COC1=CSC=C1C(=O)O 1 1.105 0 3 0 -2.69280521665742 2778360 CC1=NOC(=C1)NC(=O)CCl 1 0.344 2 2 0 -6.58966332871211 2778109 CCOC(=O)C1=C(NC(=O)NC1C)CBr 1 0.639 2 3 0 -14.7416061229753 2777971 C1=CC(=C(C(=C1NC(=S)N)F)F)F 1 2.697 2 0 -1.64642075754162 2777813 C1CN(CCN1)C2=CC(=NC3=CC=CC=C32)C(F)(F)F 1 2.97 3 0 2.14613508714806 2777698 C1=CC(=CC(=C1)NC(=O)NN)C(F)(F)F 1 1.19 3 1 0 2.40478511022011 2777692 C1=CC(=CC(=C1)C(F)(F)F)C2=CC=NC3=C(C=NN23)C(=O)N 1 1.994 4 1 0 -0.477128526395917 2777652 CCOC1=C(SC=C1)C(=O)O 1 1.745 0 3 0 -6.33477736789721 2777650 CCOC1=C(SC=C1)C(=O)OC 1 1.971 0 3 0 -6.48124167497998 2777588 CC1=CSC2=C1N=CN=C2SCC(=O)OC 1 2.615 2 2 -11.4522725209294 2777583 CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)O 1 3.619 2 2 1.02409463224519e-002 2777577 C1=CC(=CC(=C1)OC2=NC=C(C=C2)C=O)C(F)(F)F 1 3.48 1 2 2.34714950588037 2777494 CC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)N 1 3.25 1 1 1.38639239550071 2777492 COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)N 1 3.366 1 2 0.308507985659417 2777432 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NCC(=O)O 1 1.461 1 3 0 -6.81542018734195 2776897 C1=CC=C(C=C1)C2=CC(=O)N(C(=C2)C3=CC=CC=C3)N 1 2.411 2 1 -0.527844507449401 2776856 C1=CC=C(C=C1)C2=C(SN=N2)C(=O)NN 1 1.123 4 1 0 -2.92185465829329 2776643 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(C3=CC=CC=N3)O 1 3.928 1 2 -4.60972047242516 2776579 CC1=CC(=C(N1C2CC2)C)C(=O)O 1 1.54 1 2 0 -5.76251368410602 2776537 C1=CC(=CC(=C1)OCCN2C(=CNC2=S)CO)C(F)(F)F 1 2.614 2 2 1.75110436921606 2776488 C1=CC(=CC=C1C=O)N2C=NC=N2 1 1.131 3 1 0 -6.56958811998731 2776477 C1=CN(N=C1)C2=CC=C(C=C2)C=O 1 1.815 2 1 0 1.00589587388464 2776448 C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NN)C(F)(F)F 1 1.8 4 1 0 -5.00395210664696 2776418 C1=CC(=CC=C1C2=CN=CO2)Br 1 2.285 1 1 2.66508535302316 2776383 C1COC2=C(C=C(C=C2)C(=O)O)OC1 1 1.308 0 4 0 -4.70959264346297 2776317 C1=CSC(=C1)C2=NC(=CS2)C(=O)O 1 2.222 1 2 -6.06854918592624 2776131 C1CN(CCC1C(=O)N)C(=O)OCC2=CC=CC=C2 1 1.28 2 3 0 -4.73666622290904 2776119 CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=C(C=C2)OC 1 2.567 2 3 -7.80377560155402 2775903 C1=CC(=CC=C1C(F)(F)F)NC(=O)CSCC(=O)O 1 1.855 1 3 0 -6.70456964591219 2775901 CCCCCCN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C 1 3.126 4 2 -15.1989009487118 2775829 CN(C)C(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=O)C3=CC(=CC(=C32)[N+](=O)[O-])[N+](=O)[O-] 1 2.019 4 8 0 -3.8934835346559 2775795 C1CN(CCN1CCO)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.246 3 3 6.73796060528863 2775706 CCCCCCCCCCCC(=O)N1CC(=O)NC(=O)C1 1 2.882 2 3 -14.4391978109912 2775693 CC1CC2=C(O1)C=CC(=C2)C(=NO)C 1 2.072 1 2 1.29108632770146 2775691 CN1C2=C(C=C(S2)C(=O)O)C(=N1)C(F)(F)F 1 2.511 2 2 -1.41921204831114 2775658 CC1(CO1)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 1.894 1 2 0 -0.694141087168812 2775652 C1COC2=C(C=C(C=C2)C(=O)CCC(=O)O)OC1 1 1.263 0 5 0 -7.70232197079329 2775542 CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F 1 2.492 1 4 -14.1562562562811 2775490 CCOC(=O)C1=C(NC(=S)N(C1C2=CC=CC=C2)C=O)C 1 2.418 2 3 -16.4178558711881 2775440 CN1C2=C(C=C(S2)C3=NNC(=S)N3C)C(=N1)C(F)(F)F 1 3.153 5 0 -2.47044867868123 2775431 COC(=O)CC1=C(N=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)OC 1 2.996 3 4 0 -7.92117837364807 2775392 COC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)F)[N+](=O)[O-] 1 3.298 1 5 -4.736263395039 2775372 COC(=O)C1=C(C=NC=C1)C(=O)NC2=CC=C(C=C2)F 1 1.524 2 3 0 -7.15654867356666 2775366 COC(=O)C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1 3.05 3 6 0 0.145681716470308 2775333 COC(=O)C1CC(CN1C2=C(C=C(C=N2)C(F)(F)F)Cl)Cl 1 3.404 2 2 -0.154570433637253 2775323 CNC1=NN=C(S1)C(F)(F)F 1 0.989 3 0 0 -3.13106943532082 2775317 COC(=O)C1=C(C2=C(C1(C#N)C3=CC=CC=C3)C=CC=C2F)N 1 2.149 2 2 -5.7764580248672 2775307 COC1=NN2C(=NN=C2C3=CC=C(C=C3)C(F)(F)F)C=C1 1 3.243 4 1 0.633725607320436 2775269 C1COC2=C(O1)C=C3C(=C2)NC(=S)N3 1 2.322 2 2 -6.34281692506112 2775139 CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)O 1 1.89 1 3 0 7.93963010194877 2775107 C1=CC2=C(C(=C1)OC(F)(F)F)NC(=CC2=O)C(F)(F)F 1 4.505 1 2 -0.11724931406002 2775106 C1=CC2=C(C=C1OC(F)(F)F)C(=O)C=C(N2)C(F)(F)F 1 4.505 1 2 -0.134965134476758 2775104 C1=CC2=C(C=C1OC(F)(F)F)C(=O)C=CN2 1 3.333 1 2 -1.55852821911018 2775089 CC1=CC=CC2=C1NC(=CC2=O)C(F)(F)F 1 2.871 1 1 -1.22942338203387 2775088 CC1=CC2=C(C=C1)NC(=CC2=O)C(F)(F)F 1 2.871 1 1 -0.428690833032915 2775078 CC1=NC(=CN1CCC(=O)C)[N+](=O)[O-] 1 0.447 3 3 0 -8.57854186417785 2775077 CC1=NC(=CN1C(C)C)[N+](=O)[O-] 1 1.343 3 2 0 -3.92287756509703 2775040 COC1=CC=C(C=C1)OC2=C(C=CC=N2)[N+](=O)[O-] 1 2.656 2 4 -1.28172439857644 2775022 CC1=C2CCCC2=C(C=C1)OC3=C(C=CC=N3)N 1 3.575 2 1 -2.5932561928835 2774994 CC1=C(C(C(=O)N1)CC(=O)OC)C(=O)OC 1 -0.562 1 5 0 -21.5618215797024 2774987 CCOC(=O)C1=C(C(=C(C=C1)OC)OC)Cl 1 2.665 0 4 -3.22627014371895 2774981 COC1=C(C(=C(C=C1)C(=O)OC)Cl)OC 1 2.316 0 4 -2.67303324442359 2774904 CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)N 1 2.825 2 1 -2.94672014424843 2774902 C1=CC(=C(N=C1)OC2=CC=C(C=C2)Cl)C(=O)N 1 2.445 2 2 0.303011974677538 2774833 CSC1=NN2C(=C(C=NC2=N1)C(=O)O)N 1 0.725 5 2 0 -6.64418861098596 2774832 CCOC(=O)C1=C(N2C(=NC(=N2)SC)N=C1)N 1 1.3 5 2 0 -8.93144972374251 2774822 C1=CC2=C(N=C1)N(C(=S)NC2=O)C3=CC=C(C=C3)Br 1 4.02 3 1 -2.16912266892766 2774818 COC1=CC=C(C=C1)N2C3=C(C=CC=N3)C(=O)NC2=S 1 3.255 3 2 -2.94742782355718 2774743 CN1C(=C(C(=N1)C(F)(F)F)CO)SC2=CC=C(C=C2)F 1 3.694 2 1 5.30517220425593 2774706 CN1C(=CN=C1SCC(=O)C2=CC=C(C=C2)F)CO 1 1.941 2 2 0 -6.00012215909463 2774685 CN1C2=CC=CC=C2C(=C1OC3=CC=C(C=C3)F)C=O 1 3.978 1 2 3.32180592485048 2774664 C1=CC(=C(C=C1F)[N+](=O)[O-])OC2=C(SC=C2)C(=O)O 1 3.073 1 5 -4.58979908795622 2774655 C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)CC#N 1 3.083 2 2 -2.10560809655574 2774650 C1=CC(=C(N=C1)Cl)C(=O)OC2=CC=C(C=C2)CC#N 1 2.898 2 2 -3.86838696522892 2774539 CCCC(=O)C1=CC2=CC=CC=C2OC1=O 1 2.713 0 3 -11.1585975941693 2774528 CCCCCSC1=C(C=CC=N1)C(=O)O 1 3.175 1 2 -9.70142192232878 2774526 CCCSC1=C(C=CC=N1)C(=O)O 1 2.262 1 2 -8.83509629003177 2774447 CN1C(=CN=C1SCC2=CC=C(C=C2)F)CO 1 2.269 2 1 -5.8090503423328 2774441 C1=CC(=CC=C1COC2=C(SC=C2)C(=O)NN)F 1 2.066 2 2 -3.01880397487205 2774436 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)CC(=O)O 1 3.783 1 2 -4.17511774334602 2774431 C1=CC=C(C(=C1)C(=O)C2=CC=C(S2)CC#N)F 1 3.598 1 1 -3.70554357422541 2774429 C1=CC=C(C=C1)C(C#N)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F 1 4.848 1 1 -9.12044040022242e-002 2774427 CC1=CC=C(C=C1)C(C#N)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F 1 5.334 1 1 1.30263043500012 2774422 C1=CC(=CC=C1C(C#N)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F 1 5.053 1 1 0.476311492782571 2774421 CN1C=C(C=C1C=O)C(=O)C2=CC=C(C=C2)F 1 2.79 1 2 -0.387046337393976 2774370 C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 3.895 2 2 -0.329216355985078 2774365 CCOC(=O)C(=O)NC1=CC=C(C=C1)F 1 1.505 1 3 0 -3.26964115392856 2774357 CCOC(=O)C1=NOC(=C1C(=O)NC2=CC(=CC=C2)F)C 1 2.052 2 4 -11.4420637699223 2774349 CC1=NN(N=C1C(=O)N)C2=CC=CC=C2 1 1.12 4 1 0 -2.77005313613142 2774345 CC1=NN(N=C1C(=O)NN)C2=CC=CC=C2 1 0.628 5 1 0 -3.54090433237696 2774334 CCOC(=O)CNC1=C(C=C(C=N1)C(F)(F)F)Cl 1 2.689 2 2 -0.75207371969495 2774297 C1CN(CCC1C(=O)O)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1 2.825 3 6 0 -0.546565328596913 2774271 CN(C)C1=NC(=O)C=C(N1)C(F)(F)F 1 0.627 3 1 0 -4.59150013352332 2774190 CN1C2=CC=CC=C2C(=C1OC3=C(C=C(C=C3)F)F)C=O 1 4.184 1 2 3.42595991657084 2773950 C1(=C(N=C(N(C1=O)N)N)C(F)(F)F)Br 1 0.176 4 1 0 -1.11623832634421 2773940 CN1C=CC=C1C(C#N)C2=C(C(=CC=C2)F)C#N 1 2.913 3 0 -3.54664711032794 2773897 C1CN(CCN1CC(=O)NN)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.306 5 1 0 0.903306921891878 2773895 C1=CC(=CC=C1CC#N)OC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.299 2 1 8.15956830296816 2773892 C1=CC=C(C(=C1)N)OC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.638 2 1 5.85743557761634 2773877 CN(CCO)C(=O)C1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.334 3 2 1.81757303615908 2773876 CC1=C(C(=NO1)C(=O)NN)C(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.148 5 3 0 -4.96973687123573 2773871 C1C(ON=C1C(=O)O)CNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.193 3 3 1.25370990447973 2773870 C1C(ON=C1C(=O)NN)CNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.074 5 2 0 0.821380277985655 2773827 C1=CC(=CC=C1C(C#N)C2=C(C=C(C=N2)C(F)(F)F)Cl)Cl 1 4.787 2 0 7.44175727420549 2773718 CCOP(=O)(C1=CC=C(C=C1)O)OCC 1 1.527 0 4 0 -0.658753653116414 2773717 CCOP(=O)(C1=CC=CC(=C1)O)OCC 1 1.527 0 4 0 -1.64242075202703 2773631 CC1=C(CCC(=O)N1CC2=C(C=CC=C2Cl)F)C#N 1 2.711 2 1 -11.222487721021 2773627 CC1=C(C(=NN1)C)CC2=C(C=CC=C2Cl)F 1 3.546 2 0 -2.00056091659712 2773449 CC(C)(C)C1=NN(C(=C1)C(=O)NN)CC2=CC=C(C=C2)F 1 2.899 4 1 -4.60229766732065 2773193 C1=C2C(=CC(=C1N)N)N=CN2 1 -0.148 4 0 0 -2.38105192106244 2773135 CC(C)N1C2=CC=CC=C2N=C1NCCO 1 1.616 3 1 0 -1.24242253229219 2773134 C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2NCCO 1 2.466 3 1 0.562643841440633 2772974 C1=CC2=C(C=C1Cl)C(=O)N=C(N2)N=C(N)N 1 0.472 5 1 0 -1.81838693418317 2772853 CC1=C(C(=O)N=C(N1)SCCOC2=CC=C(C=C2)OC)CC3=CC=CC=C3 1 4.518 2 3 -12.7370333444221 2772852 CC1=CC(=NC(=N1)SCC(=O)NC2CCCC2)C 1 2.141 3 1 -14.3457399715894 2772786 CCCCN1C2=CC=CC=C2N=C1S(=O)(=O)O 1 2.754 2 3 -9.05782861154151 2772727 COC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)O 1 3.98 2 4 -9.28275446711657 2772726 CC1=CC(=CC=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)O 1 4.483 2 3 -7.73006312415886 2772725 COC1=CC=CC=C1OCCSC2=NC3=CC=CC=C3N2CCC(=O)O 1 3.98 2 4 -12.5149689532202 2772724 CC1=CC=CC=C1OCCSC2=NC3=CC=CC=C3N2CCC(=O)O 1 4.483 2 3 -8.55450640035936 2772723 CCC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)O 1 4.939 2 3 -8.96394982255196 2772722 C1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)O 1 3.996 2 3 -9.38115869575408 2772720 CC(C)(C)C1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O 1 5.149 2 3 -5.07909593786622 2772716 CC1=C(C=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O)C 1 4.72 2 3 -7.84314207214323 2772715 CC1=CC(=CC=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O 1 4.234 2 3 -6.66278152436351 2772712 C1=CC=C2C(=C1)N=C(N2CC(=O)O)SCCOC3=CC=CC=C3F 1 3.954 2 3 -7.81866200894509 2772710 CC(C)OC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O 1 4.458 2 4 -9.41666494731988 2772709 CCOC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O 1 4.081 2 4 -8.83819161449781 2772708 COC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O 1 3.732 2 4 -8.21547286732122 2772707 CCC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O 1 4.691 2 3 -7.89666822275661 2772706 CC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O 1 4.234 2 3 -7.65723008697752 2772705 C1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O 1 3.748 2 3 -8.31387709595873 2772690 CC1=CC(=CC=C1)OCCSC2=NC3=C(N2)C(=NC=N3)N 1 2.756 5 1 -2.62549404989955 2772687 C1=CC=C2C(=C1)N=CN2CC(=O)C3=CC=C(C=C3)Br 1 3.555 2 1 -3.93830892296987 2772683 CCC1=C(NC(=NC1=O)SCCOC2=CC=C(C=C2)OC)C 1 3.486 2 3 -12.0444520469085 2772680 COC1=CC=CC=C1OCCSC2=NC3=CC=CC=C3N2CC(=O)N 1 3.104 3 3 -10.6421031169482 2772671 COC1=CC=CC=C1OCCSC2=NC3=CC=CC=C3N2CCO 1 3.711 2 3 -7.07241899753368 2772647 CCOC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2 1 4.393 2 2 -2.88891967127983 2772624 C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2SCCO 1 3.727 2 2 -6.45363420963127 2772616 CC(C(=O)O)SC1=NC2=C(N1)C=C(C=C2)Br 1 3.143 2 2 -3.43943537946166 2772611 CC1=CC(=O)N=C(N1)SCCOC2=CC=C(C=C2)OC(C)C 1 3.31 2 3 -14.892765874929 2772610 CCC(C)SC1=NC(=O)C2=CC=CC=C2N1 1 3.28 2 1 -8.74426819595879 2772601 CCOC1=CC=C(C=C1)OCCSC2=NC(=O)C=C(N2)N 1 2.199 3 3 -10.7487743569142 2772598 C1=CC=C2C(=C1)C(=O)N=C(N2)SCCOC3=CC=CC=C3F 1 3.868 2 2 -8.39368698392896 2772590 CCOC1=CC=C(C=C1)OCCSC2=NN=NN2C3=CC=CC=C3 1 3.765 4 2 -13.9686222346534 2772586 CCOC(=O)CC1=CN=C(S1)NC(=O)CSC2=NC(=CC(=N2)N)N 1 0.863 6 3 0 -16.0579993732552 2772580 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2S(=O)(=O)O 1 3.009 2 3 -7.77053100999783 2772579 CC(C)N1C2=CC=CC=C2N=C1S(=O)(=O)O 1 2.152 2 3 -5.86174544309287 2772578 CC1=CC=C(C=C1)OCCSC2=NC3=C(N2)C(=NC=N3)N 1 2.756 5 1 -3.71733683903834 2772551 CCOC(=O)CC1=CN=C(S1)NC(=O)CSC2=NC(=CC(=N2)C)C 1 1.843 4 3 0 -17.1612923829154 2772550 CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3N=C2S(=O)(=O)O 1 3.544 2 4 -6.0956699523049 2772549 CCOC(=O)CC1=CN=C(S1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N 1 0.802 7 3 0 -14.4144243664925 2772548 CC1=CC=CC=C1OCCN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)O 1 1.757 5 4 0 -10.0510719035048 2772541 CCOC1=CC=C(C=C1)OCCSC2=NC(=O)C=C(N2)C3=CC=CC=C3 1 4.167 2 3 -9.81599506097782 2772533 CC(C(=O)O)SC1=NC(=O)C=C(N1)C2=CC=CC=C2 1 2.168 2 3 -11.440280538492 2772490 C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2SCCO 1 1.891 5 1 0 -8.71033029647025 2772493 CC(C(=O)O)SC1=NC2=C(N1CCOC3=CC=CC=C3)N=CN=C2N 1 2.445 5 3 0 -11.053307999416 2772496 CC(C)OC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)NC2=S 1 3.785 5 2 0 -2.82480097346157 2772527 CC1=CC(=C(C=C1)C(C)C)OCCSC2=NC3=CC=CC=C3N2CC(=O)O 1 5.429 2 3 -6.58057867974366 2772526 CCN1C2=CC=CC=C2N=C1S(=O)(=O)O 1 1.774 2 3 0 -5.13422454844182 2772521 CC(C)OC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)O 1 1.98 5 5 0 -12.1489250472731 2772508 C1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCO 1 3.727 2 2 -3.93860874006758 2772503 COC1=CC=CC=C1OCCSC2=NC3=CC=CC=C3N2CC(CO)O 1 3.2 2 4 -6.05461974944275 2772453 CCCCN1C2=CC=CC=C2N=C1SCC(=O)O 1 3.445 2 2 -14.2834146330133 2772440 CCC(C(=O)O)SC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3 1 5.046 2 2 -5.18715527618532 2772439 CCC(C)SC1=NC2=CC=CC=C2N1CC(=O)O 1 3.366 2 2 -8.24636320985951 2772436 CC(C(=O)O)SC1=NC(=O)C2=CC=CC=C2N1 1 1.996 2 3 0 -11.0375020669959 2772435 CCC(C(=O)O)SC1=NC2=C(N1)C(=NC=N2)N 1 1.127 5 2 0 -8.76687348671472 2772433 CCCCSC1=NC2=CC=CC=C2N1CC(=O)O 1 3.445 2 2 -9.10103324518692 2772432 CCCSC1=NC2=CC=CC=C2N1CC(=O)O 1 2.988 2 2 -9.75414627601713 2772428 CC1=CC(=NC(=N1)SC(C)C(=O)O)C 1 1.644 2 2 0 -8.00302503442273 2772420 CCC(C(=O)O)SC1=NC(=O)C=C(N1)C2=CC=CC=C2 1 2.692 2 3 -13.4709857612532 2772368 C1C(CC(=O)C2=CN=C(N=C21)N)C3=CC=CO3 1 0.822 3 2 0 -12.6569816833399 2772366 CC1(CC2=NC(=NC=C2C(=O)C1)N)C 1 0.812 3 1 0 -8.61535275117378 2772320 CC1(C2CCC1(C(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC=CC=N4)C)C 1 3.097 4 2 -1.82010783849793 2772318 CC1=CC2=C(C=C1)NC(=S)C=C2C 1 3.556 1 0 -2.24429580606496 2772302 CC(C1=CC=CC=C1)C2=NN=C(S2)N 1 1.979 3 0 0 -1.59398573488442 2772301 C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NN=C(S3)N 1 3.011 3 0 -2.94454629439667 2772277 C1CC(OC1)CNC2CCS(=O)(=O)C2 1 -0.35 1 3 0 -11.1694014329952 2772257 C1[C@@H]([C@@H](CS1(=O)=O)O)NC2=CC=CC=C2 1 0.573 1 3 0 -6.62809223255371 2772215 C1[C@H](N2C(S1)C3=CC=CC=C3C2=O)C(=O)O 1 1.246 1 3 0 -9.9977316866132 2772191 CC1=CN2C(=NC(=C(C2=O)C=O)N3CCN(CC3)C4=CC=CC=C4F)C=C1 1 2.402 4 2 -6.82048437504665 2772190 CC1=CN2C(=NC(=C(C2=O)C=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C=C1 1 2.18 4 3 0 -7.80666193070485 2772187 CC1=CN2C(=NC(=C(C2=O)C=O)N3CCN(CC3)C)C=C1 1 0.525 4 2 0 -7.90066531958249 2772181 CC1=CC=CN2C1=NC(=C(C2=O)C=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.402 4 2 -6.35668844452564 2772178 CC1=CC=CN2C1=NC(=C(C2=O)C=O)N3CCN(CC3)C4=CC=CC=C4 1 2.197 4 2 -7.32986866513313 2772176 C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)C=O 1 1.75 4 2 0 -6.97356229073742 2772172 C1CS(=O)(=O)CC1N(C2=CC=CC=C2)C(=O)CCl 1 1.196 1 3 0 -13.8905777383858 2772167 CC1=CC=CN2C1=NC(=C(C2=O)C=O)N3CCC4(CC3)OCCO4 1 0.632 3 4 0 -14.0095004093786 2772166 CCN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=O 1 0.427 4 2 0 -8.82588459706784 2772117 CCNC1CCS(=O)(=O)C1 1 -0.36 1 2 0 -8.84044935422762 2772131 COC(=O)CC1C(=O)NC2CCCCC2N1C(=O)CCl 1 0.512 2 4 0 -16.4172487584568 2772126 CC1CCCC(N1C(=O)CCSC(=O)C)C(=O)O 1 1.004 1 4 0 -13.8027068941075 2772102 C1=CC=NC(=C1)NC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-] 1 2.897 5 3 0 11.0160263498777 2772097 COC1=CC=CC(=C1OC)C(CC=C)NC2=CC=CC=C2 1 4.156 1 2 -8.06671041870482 2772064 C1CCC2(C1)C(CC(=O)O2)C(=O)O 1 0.854 0 4 0 -5.90048154646411 2772058 C1CS(=O)(=O)CC1NC(=S)NN 1 -0.604 3 2 0 -12.5631337764433 2772055 COC1=C(C=C(C=C1)C(CC=C)NC2=CC=CC=C2)OC 1 4.156 1 2 -8.98472544232979 2772052 C1CCC(C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)O 1 0.355 1 4 0 -1.77993099195403 2772051 CC(=C)CC(C1=CC=CO1)NC2=CC=C(C=C2)OC 1 3.907 1 2 -8.0510343667216 2772050 CC(=C)CC(C1=CC=C(C=C1)OC)NCC2=CC=CO2 1 3.529 1 2 -2.7011009748997 2772042 CC(CC1=CNC2=CC=CC=C21)C(=O)O 1 2.706 1 2 -4.17409092653981 2772040 CC(C1=CN=CC=C1)NC2=CC=CC=C2 1 2.449 2 0 -4.73844045664682 2772034 C1C23C=CC(O2)C(C3C(=O)N1CC4=CC=CO4)C(=O)O 1 -0.282 1 5 0 -2.38403919476245 2772032 COCCCN1CC23C=CC(O2)C(C3C1=O)C(=O)O 1 -1.115 1 5 0 -5.41468786661723 2772027 COC(=O)COC1=CC=CC=C1C(=O)N 1 0.522 1 4 0 -8.49724600805028 2772005 CCC(C)[C@@H](C1=NN=C(O1)SCC(=O)NC2=C(C=C(C=C2)C)C)N 1 2.978 4 2 -22.6859908220621 2771988 CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OC(C)C(=O)O 1 3.768 0 5 -12.0919096472987 2771981 CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)O 1 2.959 0 5 -10.446455910591 2771949 C1COC2=CC3=NC(=C(C=C3C=C2O1)C=O)Cl 1 2.435 1 3 -3.2646572741343e-002 2771946 C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(COC4=CC=C(C=C4)C(=O)O)O 1 4.28 1 4 1.56939202376346 2771944 C1C(OC(=O)N1)COCC2=CC=CC=C2 1 1.316 1 3 0 -5.62226866904621 2771937 CC(C)OC(=O)C(C)NC1=CC(=C(C=C1)F)Cl 1 3.426 1 2 -6.99322809755116 2771930 C1=CC=C(C(=C1)C2=CC=C(O2)C=O)C(=O)O 1 2.424 0 4 -2.41046503405755 2771918 COC1=CC=CC=C1N(CC2CO2)S(=O)(=O)C3=CC=CC=C3 1 2.223 1 4 -11.7428018904712 2771912 COC1=CC=C(C=C1)N(CC2CO2)S(=O)(=O)C3=CC=CC=C3 1 2.223 1 4 -8.51599121286178 2771896 C1=CC=C(C=C1)N2C(C(NC2=S)O)O 1 2.005 2 2 -3.33448421562344 2771875 C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)O)C3=CC=CC=C3 1 4.022 3 2 -8.03877147216918 2771861 CC1=CC=C(C=C1)C(CCN)C2=CC=CO2 1 2.667 1 1 -4.33334470156029 2771858 CC(C1=C(C=C(C=C1)Cl)Cl)N 1 2.642 1 0 2.51802289758675 2771826 CC(C)(C)OC(=O)N1CCNC2=CC=CC=C2C1 1 2.365 2 2 -15.3832515600172 2771732 C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=C2)C(=O)O 1 2.036 3 4 0 -1.08367194799253 2771422 C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3 1 1.549 5 2 0 -5.47110950478753 2771419 C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3 1 1.882 4 3 0 -4.21962010556608 2771417 C1CN(CCN1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3 1 0.112 4 5 0 -15.5259179745162 2771402 CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCNCC3)[N+](=O)[O-] 1 3.077 4 2 -3.2252790216494 2771401 C1CC1NC2=C(C=CC(=C2)NCCN)[N+](=O)[O-] 1 1.002 4 2 0 -5.83893230740033 2771400 C1CC1NC2=C(C=CC(=C2)N3CCNCC3)[N+](=O)[O-] 1 1.606 4 2 0 -4.82452226096246 2771392 CC1CN(CCN1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl.Cl Cl- 1 2.349 3 2 -1.66127959046709 2771368 C(C(=O)O)SC1=C(SC(=S)S1)SCC(=O)O 1 3.31 0 4 -9.40955156694245 2771331 C1CN(CCN1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 1.972 3 2 0 -1.27769481204144 2771297 CNC(=O)C1C(C(=C(NC1=S)N)C#N)C2=CC=CC=C2 1 0.88 4 1 0 -11.9899229708731 2771139 C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NCC(=O)O 1 1.399 1 3 0 -8.66941299801505 2771128 C1CN(C(C2=CC=CC=C21)C3=CC=NC=C3)CCC(=O)O 1 -0.866 2 2 0 -9.63600947701295 2771118 C1C(NC(C2=C1NC=N2)C3=CC=C(C=C3)F)C(=O)O 1 -1.614 3 2 0 -7.47576649161545 2771113 C1CNC(C2=C1NC=N2)C3=CC(=CC=C3)F 1 1.474 3 0 0 -5.14961202311497 2771111 C1CNC(C2=C1NC=N2)C3=CC=C(C=C3)F 1 1.474 3 0 0 -6.10016409369441 2771109 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O 1 2.593 2 5 0 -26.5637248069955 2771106 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O 1 1.364 2 6 0 -28.5219075284453 2771105 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O 1 2.137 2 5 0 -26.2092562928275 2771104 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(C3=CC=CC=C3)C(=O)O 1 1.043 2 6 0 -29.0836436244891 2771100 C1C2CC3CC1CC(C2)(C3)CC(=O)NC(CC4=CC=CC=C4)C(=O)O 1 3.485 1 3 -10.68011007573 2771085 CC1=CC(=CC=C1)NC2C(=O)N(C(=O)S2)CC(=O)O 1 2.094 2 4 -12.1234244098654 2771084 CC1=CC=C(C=C1)NC2C(=O)N(C(=O)S2)CC(=O)O 1 2.094 2 4 -13.2708380503379 2771083 C1=CC=C(C=C1)NC2C(=O)N(C(=O)S2)CC(=O)O 1 1.608 2 4 0 -13.4274921887112 2771075 CC1=CC=CN2C1=NC(=C2N)C3=CC=CC=C3 1 2.796 3 0 -0.837570981732331 2771069 CC1=CC=C(C=C1)C2NCCS2 1 2.486 1 0 -7.61168764017178 2771064 C1CSC(N1)C2=CC=C(C=C2)Br 1 2.748 1 0 -7.2463486946864 2771030 C1COC2=C(O1)C=C3C(=C2)SC(=N3)NN 1 0.879 3 2 0 -2.16152194055311e-002 2771000 C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])NCC(=O)O 1 2.676 2 6 0 -7.70537576995569 2770996 CC1=CC2=C(C=C1)NC(=C2CCNCC3=CC=CO3)C.Cl Cl- 1 3.379 2 1 3.25732389529654 2770995 CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=CO3.Cl Cl- 1 2.893 2 1 1.78763452096625 2770986 CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)O 1 2.19 0 4 -11.4622412291996 2770985 CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)OC 1 2.416 0 4 -10.0370366170989 2770973 CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)O 1 1.019 1 5 0 -17.9174835244565 2770929 C1C2CN(CC1C3=CC=CC(=O)N3C2)S(=O)(=O)C4=CC=C(C=C4)N 1 7.8e-002 3 3 0 -12.9123295780081 2770928 COC1=C(C=C2C(NCCC2=C1)COC3=CC=C(C=C3)C(=O)OC)OC 1 2.925 1 5 -12.6768681515482 2770927 COC1=C(C=C2C(NCCC2=C1)COC3=CC=CC(=C3)C(F)(F)F)OC 1 4.012 1 3 -5.61485110688324 2770926 COC1=C(C=C2C(NCCC2=C1)COC3=CC=C(C=C3)[N+](=O)[O-])OC 1 2.964 2 5 0 -10.9476357808366 2770925 CC(C)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2)OC)OC 1 4.264 1 3 -8.15832823391396 2770924 CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2)OC)OC 1 4.012 1 3 -8.68122606634469 2770923 COC1=C(C=C2C(NCCC2=C1)COC3=CC=C(C=C3)F)OC 1 3.276 1 3 -7.72991090510035 2770922 C1CCN(C(C1)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N 1 1.579 3 2 0 -5.35220935385368 2770910 C1CN2C=CC=C2C(N1)C3=CC=CC=C3 1 2.282 2 0 -12.1879357208049 2770902 CC(=O)N1CCC2=CC=CC=C2C1CC(=O)O 1 0.996 1 3 0 -13.9488677235895 2770892 C1OC2=C(O1)C=C(C=C2)OCC(CN)O 1 0.242 1 4 0 -4.32226756762785 2770876 C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)O 1 0.609 1 4 0 -11.8549674955138 2770869 CC1(C2CCC1(C3=C2C(=NN3C4=CC=CC=C4)C(=O)O)C)C 1 4.259 2 2 -5.34967422538314 2770862 CC1(C2(CCC1(CC2=NO)C(=O)O)C)C 1 1.492 1 3 0 -3.17219471286808 2770857 CC(C(=O)O)NC(=O)CC12CC3CC(C1)CC(C3)C2 1 1.929 1 3 0 -11.4324541913745 2770856 CC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)C(C)(C)C 1 3.247 1 3 -13.7196708260838 2770855 CC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)Cl 1 2.511 1 3 -14.4758062846083 2770853 CC(C)CC(C(=O)O)NC(=O)COC1=CC=CC=C1 1 2.07 1 4 -14.4646405506938 2770851 CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCC(=O)O 1 3.135 1 3 -2.14267000528789 2770846 C1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(S2)Cl 1 1.726 1 4 0 -6.40032120604058 2770845 C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)O 1 1.429 1 4 0 -8.08828268487554 2770839 CC1=CC(=CC=C1)NC2C(=O)NC(=O)S2 1 2.407 2 2 -6.43836704476016 2770828 C1C(=O)N=C(S1)NC2=CC=C(C=C2)O 1 1.64 2 2 0 -5.40228457457057 2770808 C1CN(CCN1CC(COCC2=CC=CC=C2)O)C3=CC=CC=C3 1 2.891 2 2 -1.91377179417374 2770660 C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O 1 3.758 2 4 -7.07266927929009 2770649 CCCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C(=O)OCC)O.Cl Cl- 1 3.049 2 4 -4.55436469481901 2770647 CCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C(=O)OCC)O.Cl Cl- 1 2.592 2 4 -5.94941362013053 2770643 CCOC(=O)N1CCN(CC1)CC(COC2=C(C=C(C=C2)C)C(C)(C)C)O.Cl Cl- 1 3.537 2 4 -4.61598843426572 2770635 CCOC(=O)N1CCN(CC1)CC(COC2=C(C=C(C=C2C)C)C)O.Cl Cl- 1 3.109 2 4 -6.39368864463128 2770633 CCOC(=O)N1CCN(CC1)CC(COC2=CC(=C(C=C2)C)C)O.Cl Cl- 1 2.622 2 4 -6.1141867727243 2770631 CCOC(=O)N1CCN(CC1)CC(COC2=CC(=CC(=C2)C)C)O.Cl Cl- 1 2.622 2 4 -6.25168205368047 2770595 CCOC(=O)N1CCN(CC1)CC(COC2=CC=CC=C2[N+](=O)[O-])O.Cl Cl- 1 1.544 3 6 0 -10.8985521681396 2770589 CCOC(=O)N1CCN(CC1)CC(COC2=CC=CC=C2CC=C)O.Cl Cl- 1 2.658 2 4 -11.7686456589781 2770585 CCOC(=O)N1CCN(CC1)CC(COCC2=CC=C(C=C2)Cl)O.Cl Cl- 1 2.135 2 4 -5.51591940468095 2770577 CCOC(=O)N1CCN(CC1)CC(COCC2=CC(=C(C=C2)OC)OC)O.Cl Cl- 1 1.438 2 6 0 -12.0139916354203 2770575 CCOC(=O)N1CCN(CC1)CC(COCCC23CC4CC(C2)CC(C4)C3)O.Cl Cl- 1 2.683 2 4 -1.62210668736012 2770573 CCOC(=O)N1CCN(CC1)CC(COCC2=CC(=C(C(=C2)OC)OC)OC)O.Cl Cl- 1 1.421 2 7 0 -11.9769582317588 2770567 CCOC(=O)N1CCN(CC1)CC(COC2=C(C=CC(=C2)C)C(C)C)O.Cl Cl- 1 3.33 2 4 -6.11680174551965 2770565 CCOC(=O)N1CCN(CC1)CC(COC2=CC(=C(C=C2)C(C)C)C)O.Cl Cl- 1 3.33 2 4 -6.72677707947079 2770561 CCOC(=O)N1CCN(CC1)CC(COC2CC(CC(C2)(C)C)C)O.Cl Cl- 1 2.455 2 4 -9.00592237240321 2770559 CCOC(=O)N1CCN(CC1)CC(COC2CC(CCC2C(C)C)C)O.Cl Cl- 1 3.024 2 4 -4.9334271388858 2770557 CCOC(=O)N1CCN(CC1)CC(COCC2=CC=CC=C2)O.Cl Cl- 1 1.47 2 4 0 -8.15273300004737 2770553 C1CN(CCN1CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)C3=CC=CC=C3F 1 3.17 3 4 0 -1.06761542825138 2770512 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)O 1 1.389 1 4 0 -13.4858289442413 2770482 CCCCCCCCCCOC(=O)C[N+](C)(C)CC1CCCCC1O.[Cl-] Cl- 1 3.695 1 3 -4.71341352075136 2770451 C1CN(CCN1CC(COC2=CC3=CC=CC=C3C=C2)O)C4=CC=C(C=C4)F 1 4.184 2 2 4.12341895919856 2770428 CC1=C(C=CC(=C1)OCC(CN(CCO)CCO)O)Cl.Cl Cl- 1 1.513 1 4 0 1.46372960449252 2770422 CC1=C(C=CC(=C1)OCC(CNC(C)(C)C)O)Cl.Cl Cl- 1 2.987 1 2 -3.3409874883563 2770380 C1CN(CC2=CC=CC=C21)CC(COCC3=CC=C(C=C3)Cl)O.Cl Cl- 1 3.584 1 2 -6.20195145422239 2770375 CC(C)NCC(COCC1=CC=C(C=C1)Cl)O.Cl Cl- 1 2.116 1 2 -1.12411615737103 2770373 CCOC(=O)C1CCN(CC1)CC(COCC2=CC=C(C=C2)Cl)O.Cl Cl- 1 2.602 1 4 -6.57099405604762 2770365 CCC(C)NCC(COCC1=CC=C(C=C1)Cl)O.Cl Cl- 1 2.64 1 2 -2.86106097614476 2770337 C1CCN(CC1)CC(COCC2=CC=C(C=C2)Cl)O.Cl Cl- 1 2.843 1 2 -2.22993978553251 2770318 CC1=CC(=C(C=C1)OCC(CN2CCC3=CC=CC=C3C2)O)C.Cl Cl- 1 4.072 1 2 -6.75903841543184 2770310 CC1=CC(=C(C=C1)OCC(CN2CCC(CC2)CC3=CC=CC=C3)O)C.Cl Cl- 1 5.071 1 2 1.29658284158363 2770289 CC1=CC(=C(C=C1)OCC(CN2CCOCC2)O)C.Cl Cl- 1 2.101 1 3 -5.18563295765404 2770285 CC(C1=CC=CC=C1)NCC(COC2=CC=CC(=C2)OC)O.Cl Cl- 1 2.85 1 3 -0.779865651413847 2770281 COC1=CC(=CC=C1)OCC(CN(CCO)CC2=CC=CC=C2)O.Cl Cl- 1 2.469 1 4 0.124226276524315 2770273 COC1=CC(=CC=C1)OCC(CN2CCC3=CC=CC=C3C2)O.Cl Cl- 1 3.083 1 3 -7.71427299994504 2770259 COC1=CC(=CC=C1)OCC(CN2CCC(CC2)CC3=CC=CC=C3)O.Cl Cl- 1 4.082 1 3 0.34134825707043 2770252 CCN1CCN(CC1)CC(COC2=CC=CC(=C2)OC)O.Cl Cl- 1 1.731 2 3 0 -3.91189523162307 2770244 CC1CCCC(N1CC(COC2=CC=CC(=C2)OC)O)C.Cl Cl- 1 3.097 1 3 -7.3085159893682 2770242 CC1CC(CN(C1)CC(COC2=CC=CC(=C2)OC)O)C.Cl Cl- 1 2.98 1 3 -6.47984334567513 2770240 CC1CCN(CC1)CC(COC2=CC=CC(=C2)OC)O.Cl Cl- 1 2.594 1 3 -6.2524563685242 2770236 COC1=CC(=CC=C1)OCC(CN2CCOCC2)O.Cl Cl- 1 1.112 1 4 0 -6.04347331564246 2770179 CC1CCC(C(C1)OP(=O)(C2=CC=C(C=C2)N(C)C)C(C3=CN=CC=C3)O)C(C)C 1 4.618 2 3 -7.22161662013031 2770178 CC(C)OP(=O)(C(C1=CC(=C(C=C1)OC)OC)O)OC(C)C 1 2.158 0 6 -7.23848746809339 2770177 CC(C)OP(=O)(C(C1=CC=C(C=C1)OC)O)OC(C)C 1 2.175 0 5 -3.66018372795097 2770174 CC(C)OP(=O)(C(C1=CN=CC=C1)NC2=CC=CC=C2)OC(C)C 1 3.037 2 3 -10.4216749467473 2770173 CCOP(=O)(C(C1=CN=CC=C1)O)OCC 1 0.286 1 4 0 -7.64613342064472 2770165 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)O 1 0.601 2 5 0 -15.963528439862 2770164 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)O 1 0.304 2 5 0 -18.3696694624844 2770163 COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)O 1 1.167 1 5 0 -14.6106721788507 2770162 COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)O 1 1.464 1 5 0 -12.2045311562283 2770161 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCCC2C(=O)O)C 1 2.939 1 4 -7.96401292394838 2770157 C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O 1 1.932 1 4 0 -13.8323670242212 2770156 C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)O 1 0.97 1 4 0 -12.5891160358117 2770155 C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=CS2 1 0.835 1 4 0 -14.1871689096177 2770117 CC1=CC=C(C=C1)S(=O)(=O)CN=C(C2=CC=CC=C2)NC(=S)N(C3=CC=CC=C3)C4=CC=CC=C4 1 7.617 3 2 -11.2577253054023 2770112 C1C(N(N=C1C2=CC=CC=C2)C(=O)CCC(=O)O)C3=CC=C(C=C3)Br 1 3.345 2 3 -11.6865379419034 2770108 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC(CCC(=O)O)C(F)(F)F)C 1 3.177 1 4 -10.5088285439095 2770107 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(CCC(=O)O)C(F)(F)F 1 0.839 2 5 0 -15.632782424708 2770103 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCC(=O)O 1 2.977 3 5 0 -15.0768029966474 2770072 C1=CC2=C(C=C1N)C(=O)C3=C(O2)C=CC(=C3)N 1 1.471 2 2 0 1.4817963304064 2769977 CC(C12CC3CC(C1)CC(C3)(C2)O)N.Cl Cl- 1 0.988 1 1 0 -4.08290491711189 2769968 C1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.389 1 4 -9.76720685225002 2769964 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)O 1 0.947 2 6 0 -17.6572651176648 2769963 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)O 1 1.244 2 6 0 -15.2511240950424 2769961 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)O 1 1.078 2 6 0 -16.6167526681415 2769957 C1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=CC=C2 1 1.481 1 4 0 -12.6875745863203 2769956 C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)O 1 1.183 1 4 0 -15.0937156089427 2769955 C1=CC=C(C=C1)S(=O)(=O)NCC(CCC(=O)O)C(F)(F)F 1 1.719 1 4 0 -12.6980412765835 2769944 COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=O)CCC(=O)O 1 3.329 2 4 -11.6249877347323 2769943 C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCC(=O)O)C3=CC(=CC=C3)Br 1 4.093 2 3 -11.819082122442 2769940 C1CN(CCN1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 1.33 3 2 0 -6.33654931304349 2769937 C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCC(=O)O)C3=CC=C(C=C3)Br 1 4.093 2 3 -12.0383404678057 2769925 CN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)C(CCC(=O)O)C(=O)O)/C1=O 1 1.835 2 6 0 -14.220103680401 2769839 CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCOCC2)O 1 2.529 1 3 -2.46276723021093 2769828 C1COCCN1CC(COC2=CC3=CC=CC=C3C=C2)O.Cl Cl- 1 2.037 1 3 -2.49438052109443 2769774 C=CCC1=CC=CC=C1OCC(CN2CCOCC2)O 1 2.137 1 3 -10.8812722507417 2769762 COC1=C(C=C(C=C1)COCC(CN2CCCCC2)O)OC.Cl Cl- 1 2.146 1 4 -8.72801201627187 2769760 COC1=C(C=C(C=C1)COCC(CN2CCOCC2)O)OC.Cl Cl- 1 0.916 1 5 0 -11.126618227184 2769759 CCN(CC)CC(COCCC12CC3CC(C1)CC(C3)C2)O.Cl Cl- 1 3.172 1 2 -0.212336915687108 2769757 C1CCN(CC1)CC(COCCC23CC4CC(C2)CC(C4)C3)O.Cl Cl- 1 3.391 1 2 1.66387293178832 2769749 CC1CCN(CC1)CC(COC2CC(CCC2C(C)C)C)O.Cl Cl- 1 3.984 1 2 -3.09693835896805 2769746 CC1CCC(C(C1)OCC(CN2CCOCC2)O)C(C)C.Cl Cl- 1 2.503 1 3 -4.04605373064944 2769745 CC1CCC(C(C1)OCC(CNC(C)(C)C)O)C(C)C.Cl Cl- 1 3.211 1 2 -3.31748663207426 2769741 C1CCN(CC1)CC(COCC2=CC=CC=C2)O.Cl Cl- 1 2.179 1 2 -4.86675338089892 2769728 CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCOCC2)O 1 2.809 1 3 -5.2294283372833 2769709 C1=CC=C(C=C1)C(=O)CSC2=CC=CC=C2C(=O)O 1 3.257 0 3 -6.09614903559573 2769706 COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)N 1 2.688 2 2 -6.27393241158944 2769634 CC1=C(SC(=C1)C(=O)O)C 1 2.044 0 2 -1.69564210702842 2769603 C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)O 1 3.878 2 2 0.200038094746101 2769585 C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)N 1 4.045 3 0 6.7188203963969 2769440 CCCCC1=C(NC(=C1C)C(=O)OCC)C 1 3.905 1 2 -6.23245579930166 2769442 COC1=C(C=C(C=C1)S(=O)(=O)N2CCNCC2)OC 1 0.335 2 4 0 -19.7451743462127 2769371 CC(C)CSC1=NNC(=S)S1 1 3.83 2 0 -7.41522901900834 2769319 CN(C)C(=O)C1=CC(=NO1)C2=CC=CC=C2 1 1.936 2 2 0 1.32021268102597 2769315 C1=CC=C(C=C1)C2=NOC(=C2)C(=O)NC3=CC=C(C=C3)F 1 3.512 2 2 1.78808421049299 2769313 CC1=CC=C(C=C1)C2=NN(C3=C2C(=NC(=N3)C4=CC=C(C=C4)C)N)C(C)(C)C 1 5.363 5 0 5.09030384251277 2769310 COC1=CC=C(C=C1)NC(=O)C2=CC(=NO2)C3=CC=CC=C3Cl 1 3.955 2 3 0.409433171298073 2769309 C1=CC=C(C=C1)NC(=O)C2=CC(=NO2)C3=CC=CC=C3Cl 1 3.971 2 2 0.497332245056461 2769301 COC1=CC=C(C=C1)C2=NOC(=C2)C(=O)NC3=CC=CC=C3F 1 3.496 2 3 -2.67839600374354e-002 2769299 COC1=CC=C(C=C1)C2=NOC(=C2)C(=O)NC3=CC=CC=C3 1 3.29 2 3 0.981103253825448 2769296 CN(C1=NC(=NC2=CC=CC=C21)C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.798 4 2 -2.55594567465696 2769293 C1=CC=C(C(=C1)C(=O)NNC2=C(C=C(C=C2)Cl)Cl)C(=O)O 1 3.595 2 3 -3.27318667450249 2769292 CN(C1=NC(=NC2=CC=CC=C21)C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.714 4 2 -1.09928592955553 2769287 C1=CC=C(C(=C1)C(=O)NNC2=CC=C(C=C2)F)C(=O)O 1 2.472 2 3 -3.68424910039395 2769286 C1=CC=C(C(=C1)C(=O)NNC2=CC=C(C=C2)Cl)C(=O)O 1 2.931 2 3 -2.57412743527238 2769284 C1=CC=C(C(=C1)C(=O)NNC2=NC(=CC=C2)Cl)C(=O)O 1 1.891 3 3 0 -5.95796470375373 2769283 CN(C1=NC(=NC2=CC=CC=C21)C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)OC 1 3.033 4 3 0 -3.33425082928648 2769282 CN(C1=NC(=NC2=CC=CC=C21)C(F)(F)F)NC(=O)C3=CC=C(C=C3)OC 1 3.33 4 2 -5.24335936407424 2769281 CCC(C)NS(=O)(=O)C1=CC=C(S1)C2=CSN=N2 1 2.56 3 2 -12.1739194296555 2769278 CN(C)S(=O)(=O)C1=CC=C(S1)C2=CSN=N2 1 1.516 3 2 0 -7.46243652243898 2769271 C1=CC(=CC(=C1)Cl)N2C(=O)C(=C(C=N2)NCCO)Cl 1 1.206 3 2 0 2.23209336762398 2769265 CCN1C(=O)C(=C(C=N1)N2CCOCC2)Cl 1 7.7e-002 3 2 0 -5.60647562495973 2769264 CN(C1=C(C(=O)N(N=C1)C2=CC=C(C=C2)OC)Cl)N3C=CC=C3 1 2.124 4 2 -0.433536018779185 2769258 COC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl 1 2.198 2 2 4.8953944966768 2769256 CCN1C(=O)C(=C(C=N1)N(C)N)Cl 1 -0.71 4 1 0 -5.07767790655256e-002 2769215 C1=CC=C(C=C1)CNC2=NC(=NC(=C2)CS(=O)(=O)C3=CC=CC=C3)C4=CC=NC=C4 1 3.304 4 2 -3.67566365750497 2769235 CSC1=C(C=C(C=C1)NC(=O)C2=CN=CC=C2)C#N 1 1.884 3 1 0 -10.3304079271813 2769229 COC1=CC=C(C=C1)SC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)C#N 1 5.26 2 2 -4.21455034625864 2769224 C1=CC=C(C=C1)C2=NC(=CC(=N2)SC3=CC=CC=C3)CS(=O)C4=CC=CC=C4 1 5.557 2 1 7.53066430450607 2769195 CC1=CC=CC=C1C(=O)NC2=NC(=S)SS2 1 4.45 2 1 -9.89810244090066 2769186 CC(C)(C)C(=O)NC1=NC(=S)SS1 1 3.846 2 1 -13.2113027817574 2769183 CC1=CC=CC=C1C2=NN=C3C4=CC=CC=C4C(=O)C3=C2 1 4.166 2 1 3.00437535053544 2769174 CCOC(=O)CSC1=NC(=NC(=C1)CS(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.701 2 3 -0.885226408464061 2769170 CC(C)CC(=O)NC1=NC(=S)SS1 1 3.674 2 1 -10.6052937705714 2769143 C1CSC(=O)C1NC(=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)F 1 2.473 2 3 -11.9064932440909 2769133 CCOC(=O)C1=C(N=C(C(=C1)C#N)OC2=CC=CC=C2OC)C3=CC=CC=C3 1 4.792 2 4 -3.95416995383755 2769130 CC1=C(C(=CC=C1)OC2=NC=C(C=C2)C(=O)NC3CCSC3=O)C 1 3.24 2 3 -11.3780942966253 2769129 CC1=CC=C(C=C1)OC2=NC=C(C=C2)C(=O)NC3CCSC3=O 1 2.754 2 3 -12.6183702695561 2769128 CCOC(=O)C1=C(N=C(C(=C1)C#N)OC2=CC=C(C=C2)F)C3=CC=CC=C3 1 5.014 2 3 1.17502417739415 2769127 CCOC(=O)C1=C(N=C(C(=C1)C#N)OC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3 1 5.751 2 3 3.49892914060466 2769125 CCOC(=O)C1=C(N=C(C(=C1)C#N)OC2=CC=CC=C2)C3=CC=CC=C3 1 4.808 2 3 -0.318118322088148 2769118 C1CSC(=O)C1NC(=O)C2=CC=C(C=C2)Cl 1 1.984 1 2 0 -10.6965718634218 2769116 C1CSC(=O)C1NC(=O)C2=CC(=CC=C2)Cl 1 1.984 1 2 0 -10.0456571098639 2769113 CC1=CC=CC=C1C(=O)NC2CCSC2=O 1 1.805 1 2 0 -15.2790416574918 2769101 CC1=C(C=C(C(=N1)NCC2=C(C=C(C=C2)Cl)Cl)C#N)C(=O)OC 1 3.484 3 2 -6.29981521144313 2769100 CC1CN(CC(O1)C)C2=NC(=C(C=C2C#N)C(=O)OC)C 1 1.22 3 3 0 -10.9244369359341 2769099 CC1=C(C=C(C(=N1)N(C)CC2=CC=CC=C2)C#N)C(=O)C 1 2.245 3 1 -7.12154036896639 2769098 CC1CN(CC(O1)C)C2=NC(=C(C=C2C#N)C(=O)C)C 1 1.104 3 2 0 -10.8323311290224 2769097 CC1=C(C=C(C(=N1)N(C)CC2=CC=CC=C2)C#N)C(=O)OC 1 2.361 3 2 -7.2136461758781 2769094 CC1=C(C=C(C(=N1)N2CCN(CC2)C)C#N)C(=O)OC 1 0.734 4 2 0 -3.46372623395292 2769090 CC1=C(C=C(C(=N1)N2CCN(CC2)C3=CC=CC=C3)C#N)C(=O)C 1 2.291 4 1 -3.12595402416166 2769089 CC1=C(C=C(C(=N1)NCCCN(C)C)C#N)C(=O)C 1 0.657 4 1 0 -7.24866145620879 2789291 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2COC3=CC=CC=C3O2 1 3.009 1 5 -11.3762389555714 2789253 COC(=O)C1CCC2=C1C(=C(S2)NC(=O)CC3=CC=CC=C3)C(=O)OC 1 2.628 1 5 -15.9057428800294 2789251 COC(=O)C1CCC2=C1C(=C(S2)NC(=O)C(Cl)Cl)C(=O)OC 1 2.124 1 5 -13.9862271980246 2769088 CCCCNC1=NC(=C(C=C1C#N)C(=O)C)C 1 1.784 3 1 0 -9.3969217501882 2769087 CC1=C(C=C(C(=N1)N2CCOCC2)C#N)C(=O)OC 1 0.465 3 3 0 -8.03221775267934 2769040 CCOC(=O)C1=CC=C(C=C1)N=C2C(=NSS2)Cl 1 3.619 2 2 2.05448253750658 2769026 C1CC2=CN=C(N=C2C3=CC=CC=C31)NC(=O)C4=CC=CS4 1 3.858 3 1 -2.00651907892008 2769021 C1CC2=CN=C(N=C2C3=CC=CC=C31)NC(=O)C4=CC(=CC=C4)Cl 1 4.569 3 1 1.09434398956967 2769019 C1CC1C(=O)NC2=NC=C3CCC4=CC=CC=C4C3=N2 1 2.998 3 1 -0.772141988645071 2769016 C1CC2=CN=C(N=C2C3=CC=CC=C31)NC(=O)C4=CC=C(C=C4)F 1 4.11 3 1 -0.569298202584964 2769015 COC1=CC=C(C=C1)C(=O)NC2=NC=C3CCC4=CC=CC=C4C3=N2 1 3.888 3 2 -1.69414143719436 2789183 CC1=CC=C(O1)C=NNC2=NC(=O)NN=C2 1 0.453 5 2 0 -10.7856518062688 2769009 CCCSC1=NC(=O)N2C=C(C=CC2=N1)C 1 2.897 3 1 -9.51141902163522 2769008 CC1=CN2C(=NC(=NC2=O)SC)C=C1 1 2.025 3 1 -6.23441789527049 2769007 CCOC(=O)C(C)SC1=NC(=O)N2C=C(C=CC2=N1)C 1 2.565 3 3 -12.8722211951318 2769005 CCOC(=O)CSC1=NC(=O)N2C=C(C=CC2=N1)C 1 2.081 3 3 -15.2312211930248 2768999 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=C(C=C3)Cl)Cl)O 1 3.835 2 2 4.63735514489985 2768998 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3C(=O)N2O)C(=O)O 1 2.136 2 4 -3.15215467214238 2768997 CC1=CC=CN2C1=NC(=NC2=O)SC 1 2.025 3 1 -5.98801797729609 2768996 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])O 1 2.4 3 4 0 1.49721809555365 2768987 CCCSC1=NC(=O)N2C=CC=C(C2=N1)C 1 2.897 3 1 -9.26501910366082 2768986 CC1=CC=CN2C1=NC(=NC2=O)SCC=C 1 2.642 3 1 -10.0863595936348 2768985 CCOC(=O)C(C)SC1=NC(=O)N2C=CC=C(C2=N1)C 1 2.565 3 3 -12.6258212771574 2768982 CCOC(=O)CSC1=NC(=O)N2C=CC=C(C2=N1)C 1 2.081 3 3 -14.9848212750504 2768975 CC1=CC2=NC(=NC(=O)N2C=C1)SCC=C 1 2.642 3 1 -7.21443609389574 2768974 CCOC(=O)CSC1=NC(=O)N2C=CC(=CC2=N1)C 1 2.081 3 3 -12.1128977753113 2768971 CC1=CC2=NC(=NC(=O)N2C=C1)SCC3=CC(=CC=C3)C(F)(F)F 1 4.551 3 1 -2.81854376008331 2768969 C1=CC(=C(C=C1C2=C(NC(=CC2=O)O)Cl)Cl)Cl 1 3.612 1 2 1.12925875658151 2768968 CC1=CC=CC(=C1)C2=C(NC(=CC2=O)O)Cl 1 2.769 1 2 3.81333151610861 2768961 C1=CC(=CC=C1C2=C(NC(=CC2=O)O)Cl)Cl 1 2.947 1 2 1.26259663789479 2768960 C1=CC=C(C(=C1)C2=C(NC(=CC2=O)O)Cl)Cl 1 2.947 1 2 -0.15869468656961 2768959 C1=CC=C(C=C1)C2=C(NC(=CC2=O)O)Cl 1 2.283 1 2 -0.217789467488748 2768958 CCSC1=C(C(=CC(=N1)C)C)S(=O)(=O)C2=CC=CC=C2C 1 4.466 1 2 -9.68953623225471 2768956 CC1=CC=CC=C1S(=O)(=O)C2=C(N=C(C=C2C)C)SC 1 4.117 1 2 -8.84219893139978 2768954 CCOC(=O)C(C)SC1=NC(=O)N2C=CC=CC2=N1 1 2.118 3 3 -12.3940933307429 2768952 CCC(C)OC1=C(C(=CC(=N1)C)C)S(=O)(=O)C2=CC=CC=C2C 1 4.809 1 3 -8.98176870938398 2768950 CC1=CC=CC=C1S(=O)(=O)C2=C(N=C(C=C2C)C)OCC(C)(C)C 1 5.025 1 3 -8.26919539917522 2768948 CCCCSC1=C(C(=CC(=N1)C)C)S(=O)(=O)C2=CC=CC=C2C 1 5.446 1 2 -10.0602418930194 2768947 CCCSC1=C(C(=CC(=N1)C)C)S(=O)(=O)C2=CC=CC=C2C 1 4.99 1 2 -10.7133549238496 2768943 CC1=CC=CC=C1S(=O)(=O)C2=C(N=C(C=C2C)C)OC 1 3.559 1 3 -7.41159052337952 2768940 CC1=CC=CC=C1S(=O)(=O)C2=C(N=C(C=C2C)C)Cl 1 3.91 1 2 -5.07734934778754 2768929 CN1C(=CC(=N1)OC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F 1 4.808 3 1 4.58425922562935 2768926 C1=CC(=CC=C1CC2C(=O)NC(=O)N(C2=O)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl 1 4.226 4 3 0 0.699126762328968 2789089 CC1=CC(=CC=C1)OC(C)C(=O)NN=CC2=CC=NC=C2 1 2.338 3 2 -5.47598570746834 2789059 CC(C)CC(C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)N4C(=O)C5=CC=CC=C5C4=O 1 4.909 1 6 0 -21.0100169021972 2789036 CCOC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.596 3 2 -9.82740598829123 2768916 CCOC(=O)NC1CC2=CC=CC=C2C1SC3=CC=CC=N3 1 3.66 2 2 -6.24053783848786 2768915 CC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=C(C=C3)F 1 3.376 1 2 2.36373276814002 2768911 CC1(OCCO1)C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)F 1 3.266 1 3 2.41256495493191 2768907 COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)CS(=O)(=O)C3=CC=CC=C3 1 2.666 0 5 -9.50647587106153 2768905 C1C(CC(=O)C(C1=O)CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.682 0 4 -9.83889480822586 2768904 CCOC(=O)C1=NOC(C1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.322 2 5 0 -9.98076591638966 2768895 C1=C(C=NC(=C1Cl)NCCN2C(=O)C=C(NC2=O)Cl)C(F)(F)F 1 2.662 4 2 0.622124633428257 2768837 C1CC2=C(C1)NN=C2C3=C(C=C(C=C3)Cl)Cl 1 4.476 2 0 6.58699283096783 2768839 CC1=CC=C(C=C1)CNCC(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)O 1 5.03 1 1 2.89990528742619 2768848 COC1=CC=C(C=C1)CNCC(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)O 1 4.528 1 2 2.48693907828205 2768851 C1CC2=C(C1)NN=C2C3=CC(=C(C=C3)Cl)Cl 1 4.476 2 0 5.54689812255992 2768890 CN1C(=NNC1=S)CC2=CNC3=CC=CC=C32 1 2.43 4 0 -5.90220458198343 2768888 C=CCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1 3.02 4 5 0 -6.02918538351898 2768886 CCOC1=C(C=CC(=N1)C2=CC=CC=C2Cl)C#N 1 4.041 2 1 0.160930382265902 2768879 COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)OC 1 3.011 2 2 0.16570198262639 2768877 COC1=C(C=CC(=N1)C2=CC=CC=C2Cl)C#N 1 3.692 2 1 0.985120300803142 2768822 COC1=CC=CC(=C1)C2=NNC3=C2CCC3 1 3.131 2 1 5.83732778141921 2768821 CC1=CC2=C(C(=C1C)[N+](=O)[O-])N=CN2CC3=CC=CC=C3 1 4.001 3 2 -0.997527651735839 2768818 COC1=CC=C(C=C1)CNCC(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.863 1 2 -0.913312563794789 2768816 CC1=CC=C(C=C1)CNCC(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 4.366 1 1 -0.500346354650649 2768815 CC1=CC2=C(C(=C1C)[N+](=O)[O-])N=CN2 1 2.212 3 2 2.3650842356601 2768790 C1=CC(=CC=C1S(=O)(=O)NOCC(=O)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl 1 2.763 4 4 0 -4.12971014460684 2768788 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)N3CCOCC3 1 1.245 2 4 0 -15.1052816007394 2768781 CC1=C(C=C(C=C1)NC(=O)C(C)NS(=O)(=O)C2=CC=C(C=C2)F)C 1 3.039 2 3 -12.8095653819794 2768773 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)F)F 1 2.796 2 3 -10.9779389679397 2768766 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)F 1 3.133 2 3 -10.9249611549443 2768765 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NC3=CC=CC=C3 1 2.928 2 3 -11.7934923187829 2768762 CC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O 1 1.259 4 4 0 -1.8171751495913 2768758 CCCNC(=O)C1=C(SN=N1)S(=O)C2=CC=C(C=C2)Cl 1 2.679 3 2 -8.53734454119985 2768735 C1=C(C=NC(=C1Cl)CC(C(=O)O)N)C(F)(F)F 1 -1.007 2 2 0 0.283195887201482 2768731 CN1C=CC=C1C(CC#N)(C#N)C2=C(C(=CC=C2)F)C#N 1 2.758 4 0 -5.89581577294094 2768729 CC1=NC(=CN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=NOC(=O)C3=CC=C(C=C3)Cl)C 1 5.143 4 2 4.14855024956002 2768727 CNC(=O)NC(=S)NC(=O)C1=CC(=CC=C1)Cl 1 2.161 3 2 -6.66666506121801 2768724 CNC(=O)NC(=S)NC(=O)C1=CC=C(C=C1)OC 1 1.48 3 3 0 -9.55254471450682 2768723 CNC(=O)NC(=S)NC(=O)C1=CC=CC=C1Cl 1 2.161 3 2 -9.05168197862606 2768719 CC1=NC(=NC=C1)N/C=C(\C(=O)NN=CC2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 1.739 6 2 0 -15.9874837224246 2768718 CC1=NC(=NC=C1)N/C=C(\C(=O)NN=CC2=CC=C(C=C2)OC)/NC(=O)C3=CC=CC=C3 1 1.517 6 3 0 -17.112326957034 2768717 CC1=CC=C(C=C1)C=NNC(=O)/C(=C\NC2=NC=CC(=N2)C)/NC(=O)C3=CC=CC=C3 1 2.02 6 2 0 -16.8876573422236 2768715 CC1=NC(=NC=C1)N/C=C(\C(=O)NN=CC2=CC=C(C=C2)Cl)/NC(=O)C3=CC=CC=C3 1 2.198 6 2 0 -14.877362057303 2768714 CC(=O)/C(=C\NCC(=O)O)/C(=O)NC1=NC=CS1 1 -1.262 3 4 0 -7.14817752155858 2768706 CCOC(=O)CN/C=C(\C(=O)C)/C(=O)NC1=NC=CS1 1 -0.688 3 4 0 -8.78709778746792 2768698 CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=C(C=C(C=C2)F)F)SC3=CC=C(C=C3)C(F)(F)F 1 6.231 3 1 2.02718216042521 2768696 CC(C)CC(=O)ON=C1C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)CC3=CC=C(C=C3)Cl 1 4.284 3 5 0 3.819206309123 2768692 C=CCNC(=O)C1=CSC(=N1)C2=CC=CC=C2 1 2.464 2 1 -8.56755493007557 2789001 CC(C(=O)NN=CC1=CC=CC=C1)NC2=NNC(=O)NC2=O 1 -0.247 6 3 0 -21.4165660941347 2788921 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3 1 4.102 3 2 -9.38411170861956 2788911 CC1=CC(=O)N=C(N1)NN=CC2=CC=CC=N2 1 0.685 5 1 0 -9.47617865406565 2788869 CCC(C(=O)OCC1=CC=CC=C1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=CC=C4OC 1 5.132 0 6 -10.141230250682 2788860 CCOC(=O)C1=C(SC2=C1CCC(C2)C)N 1 2.709 1 2 -7.13800937789836 2788855 C1=CC=NC(=C1)C=NNC2=NC(=O)C=NN2 1 0.191 6 1 0 -6.98338855543848 2788836 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-])Br 1 3.579 2 4 -6.73180178711789 2788823 C1=CC=C(C=C1)OCC(=O)NNC2=C3C=CC=CC3=NC4=CC=CC=C42 1 3.995 3 2 0.429835217820635 2788822 CC1=CC=C(C=C1)C(=O)NNC2=C3C=CC=CC3=NC4=CC=CC=C42 1 4.646 3 1 2.9046836278206 2788767 CC1=CC=CC(=C1)C=NNC2=NC(=O)C(=NN2)C3=CC=CC=C3 1 3.151 5 1 -6.297395998508 2788754 C1=CC=C(C=C1)C2=NNC(=NC2=O)NN=CC3=CC=CC=C3Br 1 3.413 5 1 -6.62636934034926 2788743 COC(=O)C1CCC2=C1C(=C(S2)NC(=O)C3=CC=CC=C3F)C(=O)OC 1 2.799 1 5 -15.6254943795371 2788695 C1C(OC2=CC=CC=C2O1)C(=O)NC3=NC(=CS3)C4=CC=CC=C4 1 3.331 2 3 1.07893040535367 2788682 CC(C)CCOC(=O)C(C)SC1=NNC(=O)NC1=O 1 1.541 3 4 0 -21.4867895052245 2788678 CC(C(=O)NN=CC1=CC=CS1)NC2=NNC(=O)NC2=O 1 -0.294 6 3 0 -22.5895120078738 2788664 C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC=CO3 1 1.851 2 4 0 -3.62891993315892 2788660 CC(C)C(C(=O)NC1=CC2=C(C=C1)OCCO2)N3C(=O)C4=CC=CC=C4C3=O 1 2.611 2 5 0 -16.1964473302627 2788656 CCC(=O)NC1=CC2=C(C=C1)OCCO2 1 1.403 1 3 0 -8.09803817091691 2788609 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O 1 3.783 2 5 0 -14.5208327936855 2788605 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OC 1 4.398 1 4 -6.12822675980823 2788602 CC1=NNC(=NC1=O)NN=CC2=CC=CC=N2 1 0.269 6 1 0 -7.54609050336177 2788595 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 1.617 4 5 0 -9.30932773981242 2788472 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(CC(C)C)N3C(=O)C4=CC=CC=C4C3=O 1 3.049 4 6 0 -21.8120398975785 2788467 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3OC 1 2.433 3 5 0 -11.8451274444452 2788463 C1CC(OC1)CNC(=O)NC2=CC(=CC=C2)Cl 1 1.969 2 2 0 -7.09693813419861 2788461 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NCC2CCCO2 1 2.892 2 2 -12.9364113589888 2788460 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCOCC2 1 2.427 2 2 -10.0651629061969 2788459 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(C)C3=CC=CC=C3 1 4.209 2 2 -11.5089417579671 2768679 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)O 1 3.078 1 2 1.71670309746016 2768675 CC1=NN(C(=C1C(=O)O)OC2=CC(=CC=C2)Cl)C 1 2.741 2 3 0.533122863847006 2768666 C1=C(C=NC(=C1Cl)C(=NOC(=O)CCC(=O)O)N)C(F)(F)F 1 1.452 3 4 0 -2.69133679943794 2768653 C1=CC(=CC=C1C(C2=NN=C(C=C2)SC3=CC=C(C=C3)Cl)C(=O)N)Cl 1 5.158 3 1 -0.632107349481431 2768652 C1=CC=C(C=C1)SC2=NN=C(C=C2)C(C3=CC=C(C=C3)Cl)C(=O)N 1 4.494 3 1 -0.728953632579995 2768648 C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)Cl)OC4=C(C=C(C=N4)C(F)(F)F)Cl 1 6.274 3 2 9.82783315138882 2768588 C1=CC=C(C=C1)NC(=O)CC=NOCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.367 3 4 0 -5.8741616688425 2768579 CC1=C(C(=CC=C1)C)NC(=S)N=CN(C)C 1 3.461 3 0 -4.02201047929961 2768569 C1=CC(=CC(=C1)OC2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F)C(F)(F)F 1 6.416 2 1 4.15927237507807 2768557 COC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)OC)CC(=O)OC 1 2.038 3 5 0 -12.4023386995081 2768553 C1=CC(=CC=C1C(=O)C2=CNC(=C2)C(=O)C(Cl)(Cl)Cl)Cl 1 4.701 1 2 -0.822087211443473 2768552 C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)C(Cl)(Cl)Cl 1 4.037 1 2 -3.0427962592427 2768549 CON=CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 3.027 1 2 0.755794970057825 2768535 COC(CC1=NN=C(N1C2=CC=CC=C2)SCC=C)OC 1 2.991 3 2 -13.1660161324282 2768527 CS/C(=C\[N+](=O)[O-])/NC1=CC=CC=C1 1 2.374 2 2 0.187827743005649 2768495 C1CN(NC1=O)C(=O)C(Cl)Cl 1 -0.122 2 2 0 -5.90648341214892 2768490 CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N=CN(C)C 1 2.054 5 0 0.174072448937664 2768487 COC(=O)C1=C(SC(=N1)N)C2=CC(=C(C=C2)Cl)Cl 1 3.503 2 2 2.08708438435653 2768483 COC1=CC=C(C=C1)C2=C(N=C(S2)N)C(=O)OC 1 2.157 2 3 1.40557194432508 2768477 C1CC1C2=NC=C(C=C2)C(=NOCC3=CC=CC=C3)C4CC4 1 3.907 2 1 -6.42571379478152 2768474 C1CCN(CC1)C2=CC=CC=C2C(=NO)N 1 1.978 3 1 0 2.219106542589 2768471 C1=CC(=CC=C1CC(=O)O)OCC2=CN=C(C=C2)Cl 1 2.784 1 3 -4.13420139418335 2768470 C1C2=CC=CC=C2C(=O)N1C(CC(=O)O)C3=C(C=C(C=C3)F)F 1 2.75 1 3 -7.26485243808615 2768469 COC(=O)CC1=CC=C(C=C1)OCC2=CN=C(C=C2)Cl 1 3.01 1 3 -5.83059910371523 2768450 C1COCCN1CC2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F 1 2.117 3 2 7.84513993427727 2768449 CN1CCCN(CC1)CC2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F 1 2.449 4 1 13.0447522890924 2768435 COC1=C2C=CC(=NC2=C(C=C1)OC)C3=CC4=C(C=C3)OCO4 1 3.698 1 4 3.95367655117603 2768421 C1CC2CNC3=C(N2C1)C=CC(=C3)C(F)(F)F 1 3.051 2 0 1.82025780520116 2768417 C1CC2C(=O)NC3=C(N2C1)C=C(C=C3)C(F)(F)F 1 2.337 2 1 -0.994648674585733 2768411 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N4CCCC4C(=O)N3 1 0.973 3 3 0 -17.2800420118527 2768408 CC(C)(C)N1C=C(C=N1)C(=O)C2=CC=CC=C2OCCCF 1 3.262 2 2 -4.25378141484757 2768405 CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)S(=O)(=O)N(C)OC)N4CCCC4C2=O 1 2.633 3 4 0 -4.70329769464412 2768404 CC1=CC=C(C=C1)CN2C3=C(N=CC=C3)N4CCCC4C2=O 1 3.059 3 1 -0.462477196376233 2768377 C1=CC(=CC=C1CC2C(=O)NC(=O)S2)N 1 1.338 2 2 0 -4.87421142343654 2768371 C=CCNC(=S)NC1=CC=CC2=C1C=NN2 1 2.772 4 0 -13.3547281055469 2768369 C1C(C(C(=CC1=O)O)N2C=NC=N2)C3=CC4=C(C=C3)OCO4 1 0.925 3 4 0 -8.50211669523883 2768368 CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)NNS(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.71 5 5 0 -16.2360519501591 2768366 COC1=CC=C(C=C1)C2=CC=C(C(=O)N2)C(=O)O 1 0.998 1 4 0 -6.11589652846411 2768365 C1=CC=C(C=C1)N2C(=CC=N2)C3=CC=C(C=C3)F 1 4.071 2 0 2.26402983511632 2768353 CC(=NNC1=CC=CC2=C1N=CC=C2)C3=CC=CC=N3 1 2.893 4 0 -1.01005249828145 2768329 CN1C2=CC=CC=C2C3=C1SC(=C3)C(=O)N4CCN(CC4)CCO 1 2.192 3 2 -2.12163623769245 2768325 CCOC(=O)CN1CCC2=C1N3C(=C(C=N3)C4=CC(=C(C=C4)OC)OC)N=C2C 1 2.703 4 4 0 -13.6835660896337 2768317 CC(C)(C)C1=CC=C(C=C1)C2=NN3C=CC(=C(C3=N2)C#N)C4=CC5=C(C=C4)OCO5 1 4.811 4 2 1.31409152531693 2768310 CC1=NC2=C(C=NN2C3=C1CCN3CCOC)C4=CC(=C(C=C4)OC)OC 1 2.516 4 3 0 -10.7765509703697 2768307 C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)NC=C3)C#N 1 0.762 2 3 0 -4.86053769355502 2768306 CC1=CC=C(C=C1)C2=CN3C(=O)C=C(NC3=N2)C 1 2.366 3 1 -4.128970598027 2768305 CC1=NC2=C(C=NN2C3=C1CCN3C(C)C)C4=CC(=C(C=C4)OC)OC 1 3.373 4 2 -8.24431161878773 2768304 C1OC2=C(O1)C=C(C=C2)C3=C(C4=NC(=NN4C=C3)C5=CC(=CC=C5)C(F)(F)F)C#N 1 4.353 4 2 4.07351963189511 2768300 CC1=NC2=C(C=NN2C3=C1CCN3C4CCCC4)C5=CC(=C(C=C5)OC)OC 1 4.049 4 2 -8.45263569602552 2768260 C1CCC2=C(C1)C=C(C(=O)N2)C#N 1 1.083 2 1 0 -10.5403303678629 2768259 CC1=C(C2=CC=CC=C2N1)C(=O)NS(=O)(=O)NC3=CC=C(C=C3)F 1 2.219 3 3 0.413292392663014 2768258 CC1=C(C2=CC=CC=C2N1)C(=O)NS(=O)(=O)NC3=CC=C(C=C3)Cl 1 2.678 3 3 1.52341405778458 2768256 CN1CCN(CC1)C2=NC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 1.87 4 2 0 3.45442484553634 2768255 CC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCOCC3 1 1.719 3 2 0 -4.63077534183 2768254 C1COCCN1C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl 1 1.897 3 2 0 -2.80877665124318 2768253 CC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C 1 1.988 4 1 0 -6.22838231035738e-002 2768252 CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl 1 2.167 4 1 1.75971486748325 2768250 C1CC1C(=O)NC2=CC=C(C=C2)N3C=CC=C3 1 2.584 2 1 -2.72399571282876 2768249 C1=CN(C=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 3.399 2 2 -0.227471832452698 2768245 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C=CC=C3 1 3.193 2 2 -1.93275272367889 2768244 C1=CN(C=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.522 2 2 1.64903033356489 2768241 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C=CC=C3 1 3.177 2 3 -1.35231506706209 2768272 CC1=CC=C(C=C1)C(=O)CC(C2=CC(=C(C(=C2)OC)OC)OC)C(C(=O)OC)C(=O)OC 1 3.649 0 8 0 -7.93497737171906 2768269 C1=CC(=CC(=C1)Cl)CCC(C2=CC=CS2)O 1 4.126 0 1 4.07373156788884 2768268 C1=CC2=C(C=NN2)C(=C1)NS(=O)(=O)C3=CC=CS3 1 1.747 3 2 0 -5.08013116485272 2768267 CC1=CC=C(C=C1)C(=O)CCC2=CC=C(C=C2)N 1 3.464 1 1 0.275079835495846 2768265 COC(=O)CC(C1=CC(=CC=C1)F)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F 1 2.987 3 3 -6.42938007379385 2768215 CON=CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-] 1 2.839 4 4 0 -2.10470394905732 2768218 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=NOC)[N+](=O)[O-] 1 3.119 4 4 0 -2.81658097452257 2768219 CON=CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-] 1 3.575 4 4 0 0.523333287201439 2768221 CON=CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-] 1 3.298 4 4 0 -0.155583698124639 2768222 CON=CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-] 1 3.962 4 4 0 -0.228277416565252 2768224 CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F 1 6.465 5 0 -6.15770394833126 2768227 CCN1C(=NN=C1SCC2=CC(=CC=C2)OC)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F 1 5.784 5 1 -8.86234720143522 2768229 CCN1C(=NN=C1SCC2=CC=C(C=C2)F)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F 1 6.006 5 0 -7.54659927951566 2768230 CCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F 1 6.465 5 0 -6.31787524756928 2768231 CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F 1 6.287 5 0 -7.97970263891808 2788429 C1CC(OC1)CNC(=O)NC2=CC=C(C=C2)Cl 1 1.969 2 2 0 -8.02380870031724 2788419 C1CC(OC1)CNC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 0.28 2 4 0 -15.9158515561199 2788408 CC(C=NNC(=O)CNC1=NNC(=O)NC1=O)C2=CC=CC=C2 1 -0.342 6 3 0 -24.5116318082428 2788407 C1CC(CC=C1)C=NNC(=O)CNC2=NNC(=O)NC2=O 1 -0.822 6 3 0 -22.289354479493 2788402 C1=CC=C(C=C1)CCC=NNC(=O)CC2=NNC(=O)NC2=O 1 0.503 5 3 0 -21.3548427135673 2788390 CC(C1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.594 1 2 -3.6176361929674 2788387 C1=CC=C(C=C1)OCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] 1 2.592 2 4 -8.19608501675426 2788386 C1=CC=C(C=C1)OCCC(=O)NC2=CC=CC=C2[N+](=O)[O-] 1 2.592 2 4 -8.99850128149387 2788384 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=CC=C3 1 2.387 1 3 -2.55041650064019 2788382 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] 1 2.282 2 5 0 -4.31974715261167 2788381 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.282 2 5 0 -4.37876332622431 2788380 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=CC=C3[N+](=O)[O-] 1 2.282 2 5 0 -4.48423857391599 2788379 CC(=O)C1=CC(=CC=C1)NC(=O)C2COC3=CC=CC=C3O2 1 2.127 1 4 -4.89370751490033 2788375 CCOC(=O)C1=CC=CC=C1NC(=O)C2COC3=CC=CC=C3O2 1 2.591 1 5 -9.31870273139218 2788374 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2 1 2.591 1 5 -6.64775627381151 2788373 COC(=O)C1=CC(=CC=C1)NC(=O)C2COC3=CC=CC=C3O2 1 2.243 1 5 -6.22399197963606 2788370 CCOC1=CC=CC=C1NC(=O)C2COC3=CC=CC=C3O2 1 2.719 1 4 -6.08080301526684 2788369 COC1=CC=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2 1 2.371 1 4 -2.63831557439858 2788367 CC1=C(C=CC=C1Cl)NC(=O)C2COC3=CC=CC=C3O2 1 3.538 1 3 -0.428879733210361 2788365 CCC1=CC=CC=C1NC(=O)C2COC3=CC=CC=C3O2 1 3.33 1 3 -3.87613919235541 2788363 CC1=CC(=C(C=C1)C)NC(=O)C2COC3=CC=CC=C3O2 1 3.359 1 3 -3.36606620551423 2788362 CC1=C(C=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2)C 1 3.359 1 3 -2.47326417989455 2788361 CC1=CC(=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2)C 1 3.359 1 3 -4.34976561879822 2788360 CC1=CC=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2 1 2.873 1 3 -2.22534936525444 2788359 CC1=CC(=CC=C1)NC(=O)C2COC3=CC=CC=C3O2 1 2.873 1 3 -0.435098038450085 2788358 CC1=CC=CC=C1NC(=O)C2COC3=CC=CC=C3O2 1 2.873 1 3 -4.32053029482385 2788357 C1C(OC2=CC=CC=C2O1)C(=O)NCC3=CC=CC=C3 1 2.394 1 3 -6.45676842514032 2788356 C1C(OC2=CC=CC=C2O1)C(=O)NCCC3=CC=CC=C3 1 2.715 1 3 -6.7140217008391 2788351 COC1=C(C=C(C=C1)CCNC(=O)C2COC3=CC=CC=C3O2)OC 1 2.682 1 5 -10.1418747365603 2788350 COC1=CC=CC(=C1)NC(=O)C2COC3=CC=CC=C3O2 1 2.371 1 4 -2.37900440623569 2788336 COC1=CC(=C(C=C1)OC)NC(=O)C2COC3=CC=CC=C3O2 1 2.354 1 5 -4.24873494733328 2788331 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=CC=C3F 1 2.593 1 3 -3.01068866584524 2788330 C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)F 1 2.593 1 3 -1.51347233978918 2788327 C1CCC(CC1)NC(=S)NCC2CCCO2 1 2.874 2 1 -13.8814675430268 2788324 CC(C(=O)NCC=C)N1C(=O)C2=CC=CC=C2C1=O 1 1.023 2 3 0 -17.8415446791842 2788317 CC(C1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.029 1 3 -13.5905274142475 2788310 CCCOC(=O)C1=CC=C(C=C1)NC(=O)OC2=CC=CC=C2 1 3.898 1 4 -5.43681853482996 2788293 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2COC3=CC=CC=C3O2 1 2.895 1 6 0 -12.4203724794779 2788283 C1OC2=C(O1)C=C(C=C2)C=NNC3=CC=C(C=C3)C(=O)O 1 2.846 2 4 -3.01148862483391 2788215 CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O 1 1.838 2 5 0 -17.8734290381523 2788214 CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O 1 2.187 2 5 0 -18.2971933323277 2788210 CC(C)C(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N3C(=O)C4=CC=CC=C4C3=O 1 2.675 3 4 0 -12.8829537627474 2788209 CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N3C(=O)C4=CC=CC=C4C3=O 1 1.832 3 4 0 -14.9631635750857 2788205 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=C(C)C(=O)O 1 2.281 2 4 -2.89947266902987 2788197 C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)C(=O)O.Cl Cl- 1 2.47 3 2 3.82532804133002 2788239 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O 1 3.183 1 4 -0.696818448601373 2788238 CC1CCC(C(C1)OC(=O)CSC2=NC(=O)C(=NN2)C)C(C)C 1 3.396 3 3 -11.1530811693686 2788237 CCOCCOC(=O)C(C)SC1=NNC(=O)NC1=O 1 0.178 3 5 0 -24.2551886275129 2788229 CC1=CC=CC=C1OCC(=O)NC(C)C2=CC=CC=C2 1 3.32 1 2 -9.36771804086422 2788196 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)C(=O)O.Cl Cl- 1 4.09 3 2 5.98231531813946 2788138 CCCCOC(=O)CC1=NNC(=O)NC1=O 1 0.45 3 4 0 -21.7932849625034 2788139 CC1=NNC(=NC1=O)NN=CC(C)C2=CC=CC=C2 1 1.381 5 1 0 -11.3208144890544 2788140 CC1=CC(=O)N=C(N1)NN=CC(C)C2=CC=CC=C2 1 1.797 4 1 0 -13.2509026397583 2788143 CC1=CC(=O)N=C(N1)NN=CCCC2=CC=CC=C2 1 1.791 4 1 0 -11.7638736184669 2788147 CC1=NNC(=NC1=O)NN=CC2CCC=CC2 1 0.901 5 1 0 -9.46187827441063 2788149 CC1=NNC(=NC1=O)NN=CC2=CC=CS2 1 0.945 5 1 0 -10.3296186733854 2788150 C1=CSC(=C1)C=NNC2=NC(=O)C=NN2 1 0.866 5 1 0 -9.76691672546208 2788151 CC1=CC(=O)N=C(N1)NN=CC2=CC=CS2 1 1.361 4 1 0 -12.2597068240892 2788163 C1C(=O)N(C(=S)S1)NC(=O)C2=CN=CC=C2.Cl Cl- 1 0.833 3 2 0 -12.2715779488006 2768211 CON=CC1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-] 1 1.44 3 4 0 -2.02131789892645 2768205 CN(C)CCNC(=O)CC1=C(C=C(C=N1)C(F)(F)F)Cl 1 2.096 3 1 -1.20985035081706 2768203 CC(=O)C1=CN=C(S1)C2=CC=CC=N2 1 1.519 2 1 0 0.224638662828916 2768197 C1CN(CCN1C2=CC=CC=N2)C(=O)CC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.181 4 1 -0.205074829928751 2768191 C1C(C2=CC3=C(C=C2C1=O)OCO3)NC(=O)C(F)(F)F 1 1.516 1 4 0 -6.89370788378202 2768186 C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)C(F)(F)F 1 1.571 1 5 0 -9.81179480682858 2768184 C1=CC(=CC=C1N2C=CC(=C2)C=NO)Br 1 3.281 2 1 5.35974738332634 2768180 CC1CN(CC(O1)C)CC2=CN=C(S2)OC3=CC=C(C=C3)C 1 3.467 2 2 0.579170187191573 2768179 CCOC(=O)CC(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Br 1 2.074 1 5 -10.0497080251224 2768169 C1COCCN1CC2=CN=C(S2)OC3=CC(=CC=C3)Cl 1 2.891 2 2 4.72497848970306 2768168 CC1=CC=C(C=C1)OC2=NC=C(S2)CN3CCOCC3 1 2.712 2 2 3.06483368011518 2768159 CCOC(=O)CC(=O)NC(CC(=O)OC)C1=CC=C(C=C1)C(C)C 1 2.52 1 5 -10.1505142267662 2768155 CC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=C(C=C3)OC 1 3.154 1 3 1.23888953353063 2768148 CCOC(=O)C1=C(NC(=S)N(C1C2=CC=CC=C2)C(=O)C)C 1 2.497 2 3 -20.600377686757 2768134 CCOC(=O)C1=C(N=C(SC1C2=CC=CC=C2)N=CN(C)C)C 1 2.405 3 2 -11.8257585087598 2768125 C1=CC=C2C(=C1)C(=CN2C(=O)C3=CC(=CC=C3)Br)C4=NN=C(C=C4)Cl 1 5.728 3 1 1.74069605387019 2768124 C1=CC=C2C(=C1)C(=CN2C(=O)C3=CC(=CC=C3)C(F)(F)F)C4=NN=C(C=C4)Cl 1 5.922 3 1 4.45065616881817 2768116 CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(S2)C)C 1 3.04 2 3 -23.0753080951272 2768106 C1CCC2=NOC(=C2C1)C3=CC=C(C=C3)Cl 1 4.278 1 1 4.07262647482489 2768093 CC1=NN2C(=C(C=NC2=C1)C(=O)NC3=C(SC=C3)C(=O)O)C 1 1.036 4 3 0 -11.2818836010696 2768088 CC1=CC2=NC(=CC(=O)N2N1)CS(=O)(=O)C3=CC=CC=C3 1 0.654 3 3 0 -12.7491274680751 2768086 CC1=CC2=NC(=CC(=O)N2N1)CSC3=CC=C(C=C3)Cl 1 2.335 3 1 -3.88194054082808 2768085 CC1=NN2C(=C(C=NC2=C1)C(=O)NC3=C(SC=C3)C(=O)OC)C 1 1.261 4 3 0 -11.1485692466666 2768062 COC(=O)CC1=C(N(C=CC1=O)CC2=CC=C(C=C2)F)O 1 1.964 1 4 0 -5.13994846240582 2768061 COC(=O)CC1=C(N(C=CC1=O)CCC2=CNC3=CC=CC=C32)O 1 2.373 2 4 -7.53331298962545 2768058 CC1=CC=C(C=C1)C(=NNC(=O)C2=CN(C=N2)C3=CC=CC(=N3)C)C 1 2.919 5 1 -8.3653525187324 2768051 CC1=C(SC(=N1)C2=CC=CC=C2)C3=CC=NN3C 1 3.244 3 0 1.80780265906325 2768050 COC(=O)CC1=C(N(C=CC1=O)CC2=CC(=C(C=C2)Cl)Cl)O 1 3.087 1 4 -4.29210055425463 2768037 CN1C2=C(C=C(C=C2)NC(=S)N)C=N1 1 1.93 4 0 0 -1.99900387630334 2768035 CN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3)C=N1 1 3.615 4 1 -9.2796655478227 2768028 COC1=CC(=C(C=C1C(=O)OC)Br)N 1 1.67 1 3 0 -3.61208910710179 2768007 COCCCNCC(C(F)(F)F)O 1 0.212 1 2 0 -3.87179789175756 2768003 C1CS(=O)(=O)CCN1C(CC2=CNC3=CC=CC=C32)C(=O)O 1 -1.483 2 4 0 -9.24530086950973 2767999 C(CCNCC(C(F)(F)F)O)CNCC(C(F)(F)F)O 1 1.022 2 2 0 -2.03147152670428 2767998 C1CS(=O)(=O)CCN1CC2=CC(=C(C=C2)Cl)Cl 1 2.649 1 2 0.911168003151098 2767996 CC(C)C(C(=O)O)N1CCS(=O)(=O)CC1 1 -2.49 1 4 0 -9.10869389769077 2767993 C1CS(=O)(=O)CCN1CCC2=CNC3=CC=CC=C32 1 1.934 2 2 0 -2.56432718638052 2767991 C1CS(=O)(=O)CCN1CC2=CC=C(C=C2)F 1 1.525 1 2 0 6.33200949999072e-002 2767989 COC1=C(C=C(C=C1)CN2CCS(=O)(=O)CC2)OC 1 1.287 1 4 0 -5.48856097926187 2767985 CCNC(=O)ON=C(C)C1=C(N=C(S1)C2=CC=CC=C2)C 1 2.759 3 2 -1.07873738210309 2767984 CC1=C(SC(=N1)C2=CC=CC=C2)C(=NOC(=O)NC(C)C)C 1 3.137 3 2 -4.30605871869692 2767982 CSC1=CC(=C(S1)C(=O)NN)C2=CC=C(C=C2)Cl 1 3.142 2 1 4.60157020029196 2767976 CC1=C(SC(=N1)C2=CC=CC=C2)C(=NOC(=O)NC3CCCCC3)C 1 4.269 3 2 -1.56036915481385 2767972 CC1=C(SC(=N1)C2=CC=CC=C2)C(=NOC(=O)C3=CC=C(C=C3)Cl)C 1 4.743 2 2 4.08041348268715 2767970 CC1=C(SC(=N1)C2=CC=CC=C2)C(=NOC(=O)C3=CC=C(C=C3)F)C 1 4.284 2 2 2.97029181756558 2767969 CC1=C(SC(=N1)C2=CC=CC=C2)C(=NOC(=O)C3=CC(=CC=C3)C(F)(F)F)C 1 5.021 2 2 4.52422612469754 2767968 CC1=CC=CC(=C1)C(=O)ON=C(C)C2=C(N=C(S2)C3=CC=CC=C3)C 1 4.565 2 2 1.36194997515098 2767963 CSC1=CC(=C(S1)C(=O)NCC=C)C2=CC=C(C=C2)Cl 1 4.457 1 1 -3.60720558242437 2767957 CSC1=CC(=C(S1)C(=O)N2CCCC2)C3=CC=C(C=C3)Cl 1 4.507 1 1 1.77862222519949 2767956 CC(C)NC(=O)C1=C(C=C(S1)SC)C2=CC=C(C=C2)Cl 1 4.566 1 1 -3.23153084871557 2767953 CNC(=O)C1=C(C=C(S1)SC)C2=CC=C(C=C2)Cl 1 3.84 1 1 1.05578231693514 2767952 CNC(=O)C1=CC=C(C=C1)CNC(=O)OCC(F)(F)F 1 1.815 2 3 0 -12.5613781612301 2767948 CC(C)NC(=O)C1=CC=C(C=C1)CNC(=O)OCC(F)(F)F 1 2.542 2 3 -18.1120144232271 2767947 CC1=C(SC(=N1)C2=CC=CC=C2)C(=NO)C 1 2.591 2 1 3.68839066259526 2767942 COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=NS2)C3=CC=CC=C3 1 3.253 3 3 -7.30201696855527 2767938 C1=CC=C(C=C1)C2=C(SN=N2)C(=O)NC3=C(C(=CC=C3)Cl)Cl 1 4.726 3 1 -4.3109596131849 2767929 COC(=O)C1=C(C=CS1)N2C=CC=C2C(=O)C(=O)NC3=CC=C(C=C3)F 1 3.682 2 4 -6.57989836738851 2767928 COC(=O)C1=C(C=CS1)N2C=CC=C2C(=O)C(=O)NCC=C 1 2.517 2 4 -14.8893547804434 2767927 CCCNC(=O)C(=O)C1=CC=CN1C2=C(SC=C2)C(=O)OC 1 2.772 2 4 -13.7206416064515 2767926 CC1CN(CC(O1)C)C(=O)C(=O)C2=CC=CN2C3=C(SC=C3)C(=O)OC 1 2.548 2 5 0 -14.5328126703305 2767925 COC(=O)C1=C(C=CS1)N2C=CC=C2C(=O)C(=O)N3CCCCC3 1 3.023 2 4 -11.8468265896697 2767924 COC(=O)C1=C(C=CS1)N2C=CC=C2C(=O)C(=O)N3CCCC3 1 2.567 2 4 -11.4923580755016 2767923 COC(=O)C1=C(C=CS1)N2C=CC=C2C(=O)C(=O)N3CCOCC3 1 1.793 2 5 0 -13.4151230394453 2767922 CN(C)C(=O)C1=C(N=NS1)C2=CC=CC=C2 1 2.027 3 1 -4.69021466488713 2767921 C1COCCN1C(=O)C2=C(N=NS2)C3=CC=CC=C3 1 1.714 3 2 0 -7.66756759732943 2767910 CC1=CC=C(C=C1)OC2=NC=C(C=N2)C3=CC=C(C=C3)Cl 1 4.801 2 1 5.93532507844266 2767909 COC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CS3 1 3.684 4 1 -5.83738132241381 2767908 CC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CS3 1 4.186 4 0 -5.42441511326967 2767905 C1=CC=NC(=C1)SCCC(=O)O 1 1.489 1 2 0 -9.41847577334481 2767903 CCCCCCSC1=NN=C(N1C)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 1 5.876 6 0 -7.59312009825787 2767902 CCSC1=NN=C(N1C)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 1 3.984 6 0 -5.63345487561004 2767901 CCCSC1=NN=C(N1C)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 1 4.508 6 0 -6.66954434842449 2767891 CN1C(=NN=C1SCC=C)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 1 4.252 6 0 -7.82149220739831 2767890 CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3C(=O)C(=O)NC4=CC=CC=C4C(F)(F)F 1 5.165 4 4 0 -6.6256669698279 2767889 CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3C(=O)C(=O)NC4=CC=C(C=C4)OC 1 4.206 4 5 0 -6.16434764161308 2767888 CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3C(=O)C(=O)NC4=CC=CC=C4 1 4.223 4 4 0 -6.27210998152558 2767887 CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3C(=O)C(=O)NC4=CC=C(C=C4)F 1 4.428 4 4 0 -5.11054735563874 2767884 CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3C(=O)C(=O)N(C)C 1 2.852 4 4 0 -6.05540195768736 2767883 C1=CSC(=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)F 1 3.906 4 0 -4.71253808780442 2767882 CN1C(=NNC1=S)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 1 3.329 6 0 -4.65411453292157 2767880 CCN(CC)C(=O)C(=O)C1=CC=CN1C2=C(C=NN2C3=CC=CC=C3)C(=O)OCC 1 3.55 4 4 0 -8.61610183935936 2767879 COC(=O)C1=CC=C(O1)NC(=O)C2CC2 1 1.083 1 4 0 -6.2938500886498 2767878 COC(=O)C1=CC=C(O1)NC(=O)C2=CC(=CC=C2)Cl 1 2.654 1 4 -3.90209348380726 2767877 CC1=CC=C(C=C1)C(=O)NC2=CC=C(O2)C(=O)OC 1 2.476 1 4 -6.37500692795192 2767876 CC(C)(C)C(=O)NC1=C(SC(=C1C2=CC=CC=C2)SCC#N)C#N 1 4.244 3 1 -13.2922319776548 2767875 COC(=O)C1=CC=C(O1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.357 1 5 -4.17543730063182 2767874 COC(=O)C1=CC=C(O1)NS(=O)(=O)C2=CC=CC=C2 1 1.692 1 5 0 -6.89344563045479 2767873 COC(=O)C1=CC=C(O1)NC(=O)C2=CC=C(C=C2)F 1 2.195 1 4 -5.66312990248667 2767872 COC(=O)C1=CC=C(O1)NC(=O)C2=CC=CC=C2 1 1.989 1 4 0 -7.17065449546127 2767865 C1=CC2=C(N=C1)N(C=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.734 2 2 -4.19232607181179 2767864 C1=CC2=C(N=C1)N(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.193 2 2 -3.08220440669022 2767863 C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NN)N3C=CC=C3 1 1.567 5 1 0 -3.14455293863967 2767862 COC1=CN=C(N=C1OC)C2=CC=CC=C2 1 2.177 2 2 4.30534085104265 2767856 CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCCN3C(=O)C4=CC=CC=C4C3=O 1 4.294 3 3 -4.08030794046027 2767855 COC(=O)C1=NN2CCCNC(=O)C2=C1 1 0.144 3 3 0 -10.4180366504353 2767852 C1=CC=NC(=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OCC(=O)O 1 2.361 3 3 -0.922771666553479 2767848 C1=CC=NC(=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)C(F)(F)F 1 5.27 3 2 1.52391312657481 2767847 C1=CC=NC(=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)F 1 4.533 3 2 -3.00211805571548e-002 2767846 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4.274 2 1 -10.8218984206832 2767694 C1CSC2=C(C=C(C=C2)Cl)NC1=S 1 3.462 1 0 -0.391677500209501 2767692 CCOC(=O)CN1C(=O)CCSC2=C1C=C(C=C2)Cl 1 2.352 1 3 -5.9396451643807 2767673 COC1=CC=C(C=C1)OC2=CC=CC=C2C=O 1 3.133 0 3 1.79458132562951 2767658 C1=CC=C(C=C1)C2=CC(=O)ON2S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.068 1 4 -3.11460927871678 2767650 CC1=CC(=NC(=C1C#N)SC(F)F)C 1 3.229 2 0 -6.30882245839865 2767637 CCOC(=O)C1=CN=C(N=C1N2CC(OC(C2)C)C)C3=CC=CC=C3 1 2.399 3 3 -3.66096500249329 2767629 CCSC1=NC=C(N1C)C=NNC2=CC=C(C=C2)Cl 1 3.93 4 0 0.419515539411591 2767628 CCSC1=NC=C(N1C)C=NNC2=CC=C(C=C2)F 1 3.471 4 0 -0.690606125709976 2767620 C1=CC(=CC=C1CN2C(=O)C(=O)N(C2=O)CC(=O)N)F 1 -2.8e-002 3 4 0 -5.8420216687372 2767618 C1=CC(=CC=C1CN2C(=O)C(=O)N(C2=O)CC(=O)O)C(F)(F)F 1 1.337 2 5 0 -5.04969099290062 2767614 CC1=CC=C(C=C1)CN2C(=O)C(=O)N(C2=O)CC(=O)N 1 0.253 3 4 0 -6.55389869420245 2767613 C1=CC(=C(C=C1Cl)Cl)CN2C(=O)C(=O)N(C2=O)CC(=O)O 1 1.723 2 5 0 -6.72814856651088 2767611 C1=CC(=CC(=C1)Cl)CN2C(=O)C(=O)N(C2=O)CC(=O)N 1 0.431 3 4 0 -4.55627749996596 2767606 C1=CC=C(C(=C1)CN2C(=O)C(=O)N(C2=O)CC(=O)O)F 1 0.6 2 5 0 -10.3294479751159 2767604 CCOC(=O)CN1C(=O)C(=O)N(C1=O)CC2=CC=CC=C2 1 0.969 2 5 0 -8.55055662360006 2767599 C1=CC(=C(C(=C1)Cl)CN2C(=O)C(=O)N(C2=O)CC(=O)O)F 1 1.264 2 5 0 -12.1533336206098 2767598 COC1=CC=C(C=C1)CN2C(=O)C(=O)N(C2=O)CC(=O)N 1 -0.25 3 5 0 -6.96686490334659 2767597 CCOC(=O)CN1C(=O)C(=O)N(C1=O)CC2=C(C=CC=C2Cl)F 1 1.839 2 5 0 -11.2436174591973 2767595 CCOC(=O)CN1C(=O)C(=O)N(C1=O)CC2=CC=CC=C2F 1 1.174 2 5 0 -9.41973181370349 2767594 CN(C)C1=C(C(=NC=C1)N2C=CC=C2C=NOCC3=CC=CC=C3)C#N 1 3.876 5 1 -6.53782967987771 2767592 C1=CC(=CC(=C1)Cl)CN2C(=O)C(=O)N(C2=O)CC#N 1 1.308 3 3 0 -2.60200879890764 2767591 CN(C)C1=C(C(=NC=C1)N2C=CC=C2C=NOCC3=C(C=C(C=C3)F)Cl)C#N 1 4.746 5 1 -3.76017191745083 2767590 CN(C)C1=C(C(=NC=C1)N2C=CC=C2C=NOCC3=CC=CC=C3OC)C#N 1 3.86 5 2 0 -7.96242564300516 2767589 CN(C)C1=C(C(=NC=C1)N2C=CC=C2C=NOCC3=CC(=CC=C3)F)C#N 1 4.081 5 1 -4.18734814435415 2767588 CN(C)C1=C(C(=NC=C1)N2C=CC=C2C=NOCC3=CC=C(C=C3)[N+](=O)[O-])C#N 1 3.77 6 3 0 -8.13146839884428 2767586 CCOC(=O)CN1C(=O)C(=O)N(C1=O)CC2=C(C=C(C=C2C)C)C 1 2.427 2 5 0 -8.1598690037872 2767584 CN(C)C1=C(C(=NC=C1)N2C=CC=C2C=NOC)C#N 1 2.293 5 1 -7.07624314716053 2767579 C1=CC=C(C(=C1)CN2C(=O)C(=O)NC2=O)F 1 0.913 2 3 0 -4.64730782884289 2767573 CCOC(=O)NC(=O)C(=NNC1=CC=CC(=C1)C(F)(F)F)C(=O)C 1 2.704 3 4 0 0.609307515563458 2767572 C1=CC=C2C(=C1)C(=O)C(=C3C4C(C(N3)C(=O)O)C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C2=O 1 1.619 2 6 0 -1.20986345133431 2767569 COC1=C(C=C(C=C1)CCN2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C(=O)N)OC 1 0.29 3 6 0 -11.0705414459936 2767565 C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(=C4C(=O)C5=CC=CC=C5C4=O)NC3C6=CC=CC=N6 1 2.121 3 4 0 -1.50072088049669 2767563 COC1=C(C=C(C=C1)CCN2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C(=O)O)OC 1 0.917 2 7 0 -11.1319390682922 2767561 COC1=C(C=C(C=C1)CCN2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C(=O)NN)OC 1 -0.202 4 6 0 -11.9054814002035 2767560 CCOC(=O)C1=NOC2C1C3CC2C4C3C(=O)N(C4=O)CCC5=CC(=C(C=C5)OC)OC 1 1.492 2 7 0 -13.0605635620398 2767555 COC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=CC=C2)CC=NOCC3=C(C=C(C=C3)Cl)Cl 1 3.563 2 6 0 -6.39419257556474 2767543 COC1=CC=C(C=C1)CN2C(=O)C(C3=CC=CC=C3C2=O)C=NOCC4=CC=C(C=C4)F 1 3.987 2 4 -8.10137359780887e-002 2767542 CC1=CC=C(C=C1)CON=CC2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=C(C=C4)OC 1 4.268 2 4 -0.792890761443341 2767536 COC1=CC=C(C=C1)CN2C(=O)C(C3=CC=CC=C3C2=O)C=NOCC4=CC=C(C=C4)Cl 1 4.446 2 4 1.02910792914348 2767530 CN(C)/C=C\1/C(=O)N(C(=S)S1)N2C(=O)C3C4CC(C3C2=O)C=C4 1 0.975 3 3 0 -4.27590461706243 2767428 CC1=CC=C(C=C1)SC2=C(C=C(C=C2)N)C#N 1 3.566 2 0 3.10638814327518 2767424 CC(C)NC1=NC(=NC(=C1)CSC2=CC=CC=C2)C3=CC=CC=C3 1 4.613 3 0 2.38100561222126 2767421 CCOC(=O)CSC1=NC(=NC(=C1)CSC2=CC=CC=C2)C3=CC=CC=C3 1 5.148 2 2 -3.48708510643685 2767412 CCOC(=O)C(C)SC1=NC(=NC(=C1)CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.616 2 4 -9.7713895169479 2767411 C1=CC=C(C=C1)C2=NC(=CC(=N2)SC3=CC=C(C=C3)Cl)CS(=O)(=O)C4=CC=CC=C4 1 6.317 2 2 1.42666247021667 2767399 CCCNC1=NC(=C(C=C1C#N)C(=O)C)C 1 1.328 3 1 0 -7.96169469991384 2767395 CC1=C(C=C(C(=N1)NCC=C)C#N)C(=O)C 1 1.072 3 1 0 -11.7788661456531 2767378 CCCSC1=NC(=C(C=C1C#N)C(=O)C)C 1 2.534 2 1 -11.9879612383833 2767375 CC(C1=CC=NC2=NC(=NN12)N=CN(C)C)OC3=CC=C(C=C3)F 1 2.095 6 1 0 -2.19022597472549 2767374 CC(=NOC)CCS(=O)(=O)C1=CC=CC=C1 1 1.292 1 3 0 -9.62601930282961 2767360 CN(C)C=NC1=NN2C(=CC=NC2=N1)C3=CC=CC=N3 1 1.494 7 0 0 -1.22304389690119 2767358 CN(C)C=NC1=NN2C(=CC=NC2=N1)C3=CC=CS3 1 2.169 6 0 -3.52371604115104 2767357 CN(C)C=NC1=NN2C(=CC=NC2=N1)C3=CN=CC=C3 1 1.065 7 0 0 -1.95575835745936 2767356 CN(C)C=NC1=C(C=NC2=NC(=NN12)N=CN(C)C)C3=CC=C(C=C3)OC 1 1.172 8 1 0 -0.321449906152308 2767353 CN(C)C=NC1=C(C=NC2=NC(=NN12)N=CN(C)C)C3=CC=C(C=C3)Cl 1 1.853 8 0 0 1.91351499357865 2767345 CN(C)C=NC1=NN2C(=CC=NC2=N1)C3=CC(=CC=C3)Cl 1 2.881 6 0 3.01031051709151 2767343 CN(C)C=NC1=NN2C(=CC=NC2=N1)C3=CC=CC=C3 1 2.216 6 0 -0.554486512523662 2767342 CN(C)C=NC1=NN2C(=CC=NC2=N1)C3=CC=C(C=C3)OC 1 2.2 6 1 0 -0.492936305352602 2767340 CN(C)C=NC1=NN2C(=CC=NC2=N1)C3=CC=C(C=C3)Cl 1 2.881 6 0 1.74202859437836 2767336 C1=CSC=C1C2=C(N3C(=NC(=N3)N)N=C2)N 1 0.988 6 0 0 -2.5213982507216 2767335 C1=CC=NC(=C1)C2=CC=NC3=NC(=NN23)N 1 1.239 6 0 0 -7.9842941661172e-002 2767330 CC1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=O)C3=C2 1 4.166 2 1 3.60790100166041 2767327 C1C2=C(C=NN1C3=CC=C(C=C3)F)SC=C2 1 3.567 2 0 -0.596161415090493 2767319 CON=CCC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.177 2 6 0 -9.20561548731802 2767316 CC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC(=C(C=C3)[N+](=O)[O-])CS(=O)(=O)C4=CC=C(C=C4)Cl 1 5.772 3 4 0 -1.72494532930541 2767315 C1=CC(=CC=C1S(=O)(=O)CC2=C(C=CC(=C2)C(=O)CBr)[N+](=O)[O-])Cl 1 3.915 1 5 -3.6564983707266 2767304 C1=CC=C(C=C1)C2=CC=C(C(=O)N2)C(=O)O 1 1.014 1 3 0 -6.17744673563517 2767301 C=CCSC1=NC(=O)N2C=CC=CC2=N1 1 2.195 3 1 -9.85463164722035 2767299 C=CCNC(=O)C1=CC(=CC(=C1)Cl)Cl 1 2.983 1 1 -8.77567425789398 2767297 C=CCNC(=O)C1=CC(=CC=C1)C(F)(F)F 1 2.597 1 1 -7.68336951434687 2767296 CCCNC(=O)C1=CC(=CC=C1)C(F)(F)F 1 2.852 1 1 -5.43990684783652 2767285 CON=CCC(=O)NC1=C(C=C(C=C1)F)F 1 1.3 2 2 0 -4.44214841005015 2767282 CN1C(=CC(=N1)C(F)(F)F)OC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.53 3 1 7.60434257664089 2767281 CN(C)C=NC1=NN(C=N1)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.396 6 0 4.04191510217573 2767278 C1=CC=C(C=C1)C(=O)C2=CC=C(S2)CC#N 1 3.392 1 1 -2.966495168821 2767275 CC1=C(C(=O)C=CO1)OCC2=C(C=CC=C2Cl)Cl 1 2.916 0 3 -2.8604410128638 2767272 C1=C(C=NC(=C1Cl)N2C=NC(=N2)N)C(F)(F)F 1 2.142 5 0 3.67449121471991 2767267 C1CN(CCC1C(=O)O)C2=NC=CC=N2 1 0.216 3 2 0 -0.241485898463343 2767263 CONC=NC(=O)CC1=CN(C2=CC=CC=C21)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.955 4 2 3.22812025662875 2767259 CN(C)/C=C\1/C(=O)NC(=O)N(C1=O)CCNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.545 5 3 0 -1.82531823080594 2767258 C1C(=O)NC(=O)N(C1=O)CCNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.611 4 3 0 -3.93896823170405 2767254 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)NC(=O)N 1 1.963 4 1 0 -0.992125024166308 2767247 C1CN(CCC12OCC3C(CO2)ON=C3C(=O)NN)C4=NC=CC=N4 1 -1.47 6 4 0 -3.12673726577932 2767245 CCOC(=O)C1=NOC2C1COC3(CCN(CC3)C4=NC=CC=N4)OC2 1 0.224 4 5 0 -4.35286237625073 2767240 C1=CC=C2C(=C1)C(=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl)CC(=O)N 1 3.938 3 1 1.70982570539181 2767228 C1CCC2=C(C1)C(=NN2)C3=CC=C(C=C3)Cl 1 4.268 2 0 5.97541540731356 2767224 C1=CC=C2C(=C1)C(=O)OC(=N2)NC3=CC(=CC=C3)Cl 1 3.713 2 2 1.13293933355569 2767223 C1=CC=C2C(=C1)C(=O)OC(=N2)NC3=CC=CC=C3Cl 1 3.713 2 2 -2.07851581156572 2767222 C1=CC=C2C(=C1)C(=O)OC(=N2)NC3=CC(=CC=C3)F 1 3.254 2 2 0.175075742480688 2767221 C1=CC=C2C(=C1)C(=O)OC(=N2)NC3=CC=CC=C3F 1 3.254 2 2 -3.14767672260144 2767220 C1=CC=C2C(=C1)C(=O)OC(=N2)NC3=CC=C(C=C3)F 1 3.254 2 2 -1.19939992269232 2767215 C=CCNC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)F)[N+](=O)[O-] 1 3.268 2 4 -11.9354067496086 2767214 CN(C)C(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)F)[N+](=O)[O-] 1 2.857 2 4 -5.49499097348606 2767213 CNC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)F)[N+](=O)[O-] 1 2.651 2 4 -7.27241885024904 2767203 CC1CN(CC(O1)C)C(=O)CS(=O)(=O)CC2=CC=C(C=C2)Cl 1 1.735 1 4 0 -10.424839882662 2767202 CC1CN(CC(O1)C)C(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.071 1 4 0 -13.0616534780285 2767201 CC1CN(CC(O1)C)C(=O)CS(=O)(=O)C2=CC=C(C=C2)C 1 1.55 1 4 0 -14.2130386533259 2767200 CC(=O)C1=CC=CC=C1NS(=O)(=O)C 1 0.481 1 3 0 -10.068414146405 2767178 CC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2Cl 1 2.721 1 3 -10.1609799919291 2767159 COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)OC(=O)C3=CC=C(C=C3)Cl 1 5.124 2 3 1.01577946942662 2767155 COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)OC(=O)C3=C(C=CC=C3Cl)Cl 1 5.788 2 3 0.281732013412338 2767152 COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)OC(=O)C3=C(C=CC=C3Cl)Cl 1 5.788 2 3 -1.57419517081723 2767147 COC1=CC=CC(=C1)C2=CC=C(C(=O)N2)C#N 1 1.247 2 2 0 -5.65862891795467 2767136 C1=CC=C(C=C1)NC(=O)C2=C(C=CS2)OC3=C(C=C(C=C3)[N+](=O)[O-])F 1 4.228 2 4 -4.96028533936083 2767135 CC1=C(C(=O)C(=CN1)Br)OC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.575 2 2 3.25918125225455 2767134 CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=CC=C3OC)C4=CC=CC=C4 1 3.519 5 1 3.5385234087544 2767130 COC1=CC=CC=C1C2=C(C(=O)N=C(N2)C3=CC=CC=C3)C#N 1 2.488 3 2 -5.63879956104179 2767122 C1=CC=C(C=C1)C2=NC(=O)C(=C(N2)C3=CC=C(C=C3)F)C#N 1 2.71 3 1 -3.63910226819696 2767121 CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)F)C4=CC=CC=C4 1 3.741 5 0 8.64147069276174 2767115 CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC(=CC=C3)OC)C4=CC=CC=C4 1 3.519 5 1 8.30992574586703 2767110 COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)C3=CC=CC=C3)C#N 1 2.488 3 2 -3.36733496615214 2767100 CC1=C(C(=O)C=CN1)OC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.122 2 2 1.126165857075 2767097 CC1=C(C(=O)C=CN1C2=C(C=C(C=N2)C(F)(F)F)Cl)OCC3=CC=C(C=C3)Cl 1 5.002 2 2 2.77836273734472 2767094 CC1=C(C(=O)C=CN1)OCC2=CC=C(C=C2)Cl 1 1.798 1 2 0 -3.00860050762528 2767089 CN(C)/C=C(\C(=O)N1CCN(CC1)C2=CC(=C(C=C2)Cl)Cl)/C(=O)OC 1 2.508 3 3 0.976476312343217 2767088 COC(=O)CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)Cl)Cl 1 2.574 2 3 -1.90478340600193 2767087 C1CN(CCN1CC(=O)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.457 6 1 0 -4.13791085152835 2767086 C1=C(C=NC(=C1Cl)NCCNC2=CNC(=O)NC2=O)C(F)(F)F 1 0.676 5 2 0 -4.95893514469038 2767064 C1C(CN2C1C(=O)N(C2=O)C3=CC=CC=C3)O 1 0.333 2 3 0 -1.67155424928835 2767059 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCOC34CCN(CC4)C5=NC(=CC=C5)F 1 3.816 4 3 0 -4.58963706253224 2767058 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCOC34CCN(CC4)C5=NC(=CC=C5)F 1 3.152 4 3 0 -4.02660079824692 2767051 CCCNC(=O)C1=C(SN=N1)SC2=CC=C(C=C2)Cl 1 3.791 3 1 -8.68850090365641 2767048 C1=CC=C(C=C1)NC(=O)C2=C(SN=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.479 3 3 -10.9515811243747 2767047 CCCCC(=O)NC1=CC=CC=C1N2CCOCC2 1 2.379 2 2 -10.2315907504829 2767043 CNC(=O)C1=C(C=CS1)SCC2=C(C=C(C=C2)Cl)Cl 1 4.445 1 1 -10.445576149652 2767041 C=CCSC1=C(SC=C1)C(=O)O 1 2.571 0 2 -9.71690522208516 2767038 CN(C)C(=O)C1=C(SN=N1)SC2=CC=C(C=C2)Cl 1 3.124 3 1 -4.27050870493557 2767028 COC(=O)CS(=O)(=O)C1=C(SC=C1)C(=O)NC2=CC(=C(C=C2)F)F 1 2.212 1 5 -13.1422234606237 2767025 C1=CC=C(C=C1)OC2=C3C(=C(C=C2)Cl)C=CC=N3 1 4.24 1 1 4.85420315067337 2767023 CC(C)C(=O)NC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)F 1 4.076 3 1 -5.31326958462914 2767022 CCCCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)F 1 4.526 3 1 -4.44492156783438 2767020 CC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.947 3 1 -0.510614531430233 2767003 C1CN(CCN1CC(C2=CC=C(C=C2)Br)O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 5.294 2 1 -3.23971230967035 2767001 C1CN(CCN1CC2=CC=CC=C2)CC(C3=CC=CC=C3)O 1 2.933 2 1 0.800643913852752 2766998 C1CN(CCN1CC(C2=CC=C(C=C2)F)O)C3=CC=CC=C3F 1 3.433 2 1 4.76274863899824 2766996 C1CN(CCN1CC(C2=CC=C(C=C2)F)O)C3=CC(=CC=C3)Cl 1 3.892 2 1 9.1156104984073 2766991 C1CN(CCN1CC(C2=CC=C(C=C2)Cl)O)C3=CC=C(C=C3)F 1 3.892 2 1 6.53501403945897 2766984 C1CN(CCN1CC(C2=CC=CC=C2)O)C3=CC(=CC=C3)Cl 1 3.686 2 1 6.49063334096214 2766974 CC1=CC(=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2)C 1 1.443 1 3 0 -14.6518129735852 2766970 CC1=C(C(=CC=C1)C)NC(=O)C2=C(C=CS2)SCC#N 1 3.812 2 1 -12.8386626923289 2766967 C1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)C2=CC=C(C=C2)Br)C(=O)N 1 2.919 1 4 -5.3405665773716 2766965 COC1=CC=C(C=C1)NC(=O)C2=C(C=CS2)SCC#N 1 2.824 2 2 -12.1070512160901 2766962 CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)O 1 3.413 1 4 -10.8371280011321 2766952 C1=CC(=CC=C1NC(=O)C2=C(C=CS2)SCC#N)F 1 3.045 2 1 -10.9822079814807 2766948 C1=CC(=CC=C1CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl)Cl 1 3.591 1 4 -11.6634469433496 2766938 COC1=CC=C(C=C1)C2=C(NN=C2)N 1 1.153 3 1 0 1.09555349934117 2766934 C1=CC=C(C=C1)CSC2=NN3C=C(C=NC3=N2)C#N 1 2.765 5 0 -8.83216280457462 2766933 COC(=O)C1=C(C2=C(C1(C#N)C3=CC=C(C=C3)F)C=CC=C2F)N 1 2.355 2 2 -4.38049471961897 2766929 CC(C)(C)C1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C#N)Cl 1 3.35 3 1 0.961217903050336 2766927 CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=O)C(=N2)C(=O)N)O 1 2.659 3 3 0.435063994840985 2766926 C1=CC(=CC(=C1)Cl)N2C(=CC(=O)C(=N2)C(=O)N)O 1 1.924 3 3 0 0.878707237938615 2766912 CN1CCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 2.83 4 1 2.80934616640846 2766903 C=CCOC1=C(C=C(C=C1)Br)C=NO 1 3.005 1 2 2.7593505423923 2766902 CCOC(=O)C1C(N(OC1(C(F)(F)F)O)C)C2=CC=CC=C2 1 2.056 1 4 -5.77934940199221e-002 2766901 CCOC(=O)C1C(N(OC1(C(F)(F)F)O)C)C2=CC=C(C=C2)OC 1 2.04 1 5 5.26369297312174e-002 2766893 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NOCC(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 1.597 5 5 0 -6.81460866728623 2766884 C1C2CON(C2C3=C(O1)C=CC4=CC=CC=C43)C(=O)N 1 1.413 2 3 0 0.32611224362703 2766882 C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=CC=C3C(=O)O 1 3.787 1 2 2.5411807895093 2766879 C1C2CONC2C3=C(O1)C=CC4=CC=CC=C43 1 1.756 1 2 0 1.13311533712978 2766877 C=CCOC1=C(C2=CC=CC=C2C=C1)C=NO 1 3.165 1 2 2.94532005900291 2766865 CC1=NN(C(=C1C=O)OC2=CC(=CC=C2)Cl)C 1 2.871 2 2 3.77055866149488 2766855 CC1=NN(C(=C1C(=O)O)OC2=CC=C(C=C2)Cl)C 1 2.741 2 3 0.694976744845939 2766854 CC1=NN(C(=C1C=O)OC2=CC=C(C=C2)Cl)C 1 2.871 2 2 3.93241254249381 2766852 CCOC(=O)C(C)ON1C2=C(C=CC(=C2)[N+](=O)[O-])N=C1C3=CC(=CC=C3)Cl 1 2.282 3 5 0 -1.39397066743197 2766835 CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=NOC(=O)C)C2=O 1 2.836 2 3 5.62168684669514 2766829 CSC1=NC(=NC2=CC=CC=C21)CC3=CC=C(C=C3)Cl 1 4.788 2 0 -6.16494048558263e-002 2766822 C=CCSC1=NC(=NC2=CC=CC=C21)CC3=CC=C(C=C3)Cl 1 5.405 2 0 -2.92419207194846 2766821 C#CCSC1=NC(=NC2=CC=CC=C21)CC3=CC=C(C=C3)Cl 1 5.98 2 0 -3.58225401532032 2766816 CN=C(C1=CC=C(C=C1)C(F)(F)F)NC2=CC=C(C=C2)Cl 1 4.481 2 0 3.78149136920626 2766814 C1=CC=C2C(=C1)C(=S)N=C(N2)CC3=CC=C(C=C3)Cl 1 4.091 2 0 -2.04850692522711 2766813 CCOC(=O)CON1C2=C(C=CC(=C2)[N+](=O)[O-])N=C1C3=CC(=CC=C3)Cl 1 1.798 3 5 0 -0.391600193719583 2766807 C1=CC=C(C=C1)C2=NC3=C(N2OCC(=O)O)C=C(C=C3)[N+](=O)[O-] 1 0.559 3 5 0 -1.35727722493023 2766805 CCOC(=O)C1=CN=C(C=C1)N2C=NC=N2 1 0.965 4 2 0 -9.86891056891907 2766793 CCOC(=O)C(C)ON1C2=C(C=CC(=C2)[N+](=O)[O-])N=C1C3=CC=CC=C3 1 1.618 3 5 0 -4.79140163201847 2766776 CN(C)C(=O)ON1C2=C(C=CC(=C2)Cl)N=C1C3=CC=CC=C3 1 1.834 3 2 0 3.58451434013516 2766774 CC1=CC=C(C=C1)C2=NC3=C(N2OC(C)C(=O)O)C=C(C=C3)Cl 1 2.3 2 3 1.44118121684304 2766759 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl)O 1 2.294 2 3 -0.404235532207024 2766757 C1=CC=C2C(=C1)C(=NNC2=O)CC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.417 3 1 -4.6925480624126 2766752 CC(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 4.919 3 1 2.82421458667248 2766749 C1=CC=C(C(=C1)C2=NN=CO2)OC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.684 3 2 6.49177205970771 2766744 CC(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)NC2=CC=C(C=C2)Cl 1 4.661 2 1 -0.535749060324567 2766733 C1=CC=C(C=C1)COC2=C(SC=C2)C(=O)O 1 2.98 0 3 -5.4086640261809 2766724 CCOC(=O)C1=C(N(N=C1OCCO)C2=CC=C(C=C2)Cl)N 1 2.286 3 4 0 -1.94815436951423 2766722 CCOC(=O)C1=C(ON=C1OCCO)N 1 -0.151 2 5 0 -4.78454003745791 2766715 CC(=O)C1=CC=C(C=C1)N2C=C(C(=O)NC2=O)C#N 1 0.349 3 3 0 -13.0015049049238 2766693 CCOC(=O)C1=C(N(N=C1OCCO)C2=CC=CC=C2)N 1 1.621 3 4 0 -4.43664557068868 2766683 CN1CCN(CC1)C2=C(C(=O)OC(=N2)N(C)C)C#N 1 0.646 5 2 0 -1.77915818096554 2766677 CN(C)C1=NC(=C(C(=O)O1)C#N)N2CCN(CC2)C3=CC=CC=C3 1 2.318 5 2 0 -1.53349177808599 2766676 CN(C)C1=NC(=C(C(=O)O1)C#N)NC2=CC=CC=C2 1 2.007 4 2 -2.63286077246487 2766673 C1=CC=C(C=C1)N2C(=O)C(=CN2)C3=CC(=CC=C3)Cl 1 2.642 2 1 4.51256340042214 2766667 C1=CC=C(C=C1)N2C(=O)C(=CN2)C3=CC=C(C=C3)Cl 1 2.642 2 1 3.80138462317368 2766662 C1=CC=C(C=C1)C2=CNN(C2=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.872 3 3 0 -2.19042796310153 2766658 CC1=C(C(=O)N(N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 2.385 3 3 -6.06206479660023 2766656 CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=CC=CC=C3 1 3.155 2 1 0.2683844332792 2766629 C=CCN1C(=NNC1=S)C2=CC=CN(C2=O)CC3=CC=C(C=C3)Cl 1 2.978 4 1 -9.08282894448039 2766627 C=CCNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=CC=C(C=C2)Cl 1 2.296 4 2 -12.0209982229781 2766626 CCNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=CC=C(C=C2)Cl 1 2.028 4 2 -9.07827707519484 2766604 C=CCNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=CC(=C(C=C2)Cl)Cl 1 2.961 4 2 -12.2832719799485 2766603 C=CCNC(=S)NNC(=O)C1=CN(C(=O)C=C1)CC2=C(C=C(C=C2)Cl)Cl 1 2.961 4 2 -10.9246807915752 2766602 CNC(=S)NNC(=O)C1=CN(C(=O)C=C1)CC2=C(C=C(C=C2)Cl)Cl 1 2.344 4 2 -7.67255471080468 2766587 CC1=NN(C(=C1C2=CC=CC=C2)N)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.129 4 2 0.122853262505626 2766582 CSC1=NN=C(O1)C2=CC=CN(C2=O)CC3=CC(=CC=C3)Cl 1 2.472 3 2 -3.71837589990073 2766579 CNC(=S)NNC(=O)C1=CN(C(=O)C=C1)CC2=CC(=CC=C2)C(F)(F)F 1 1.957 4 2 0 -6.11512808795927 2766576 C1=CC=NC(=C1)NC(=S)NC2=CN=CC=C2 1 2.604 4 0 -4.16685207806916 2766567 COC(=O)NC1=CC(=CN1)C(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.544 2 3 0.105704779252296 2766565 CN1C=C(C=C1C=O)C(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.913 1 2 2.89848664762361 2766558 C1=CC(=CC=C1OCC2=NC(=NN2)C3=CC=NC=C3)F 1 2.025 4 1 4.50860970647244 2766553 C1=CC(=CC(=C1)Cl)OCC2=NC(=NN2)C3=CC=NC=C3 1 2.484 4 1 5.1506380990769 2766549 CC1=CC(=NN1C2=NC=C(C=N2)C#N)C 1 1.105 5 0 0 -4.41263519312669 2766547 CNC(=O)C1=CC(=CN1)C(=O)C2=C(C=C(C=C2)F)Cl 1 2.697 2 2 -2.16218026044046 2766545 C1=CC(=C(C=C1F)Cl)C(=O)C2=CNC(=C2)C(=O)C(Cl)(Cl)Cl 1 4.907 1 2 0.39062091102104 2766541 CN(C)C=NC(=S)NC1=C(C=C(C=C1)Br)F 1 3.443 3 0 -0.268007863277998 2766539 CN(C)C(=O)C1=CC(=CN1)C(=O)C2=C(C=C(C=C2)F)C(F)(F)F 1 3.181 2 2 -0.247643484081131 2766538 CNC(=O)C1=CC(=CN1)C(=O)C2=C(C=C(C=C2)F)C(F)(F)F 1 2.975 2 2 -2.11126697118331 2766535 CN(C)C=NC(=S)NC1=CC=C(C=C1)F 1 2.695 3 0 -1.55096877958742 2766530 CN(C)C(=O)C1=CC(=CN1)C(=O)C2=CC=CC=C2Br 1 2.781 2 2 -3.58056213181029 2766529 CN(C)C(=O)C1=CC(=CN1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)F 1 3.181 2 2 1.36845705498383 2766527 CNC(=O)C1=CC(=CN1)C(=O)C2=CC=CC=C2Br 1 2.575 2 2 -5.44418561891247 2766522 C1=CC=C(C(=C1)C(=O)C2=CNC(=C2)C(=O)C(Cl)(Cl)Cl)Br 1 4.785 1 2 -2.49444723715402 2766515 CN(C)C(=O)C1=CC(=CN1)C(=O)C2=CC=CC=C2C(F)(F)F 1 2.975 2 2 -2.69980734204052 2766511 CC1=C(N2C=CC=CC2=N1)C(=O)NC3=CC=C(C=C3)Cl 1 2.73 3 1 -2.10820594857352 2766508 CC1=NC2=NC(=NN2C(=C1)OC)SCC3=CC=CC=C3 1 3.692 4 1 -7.69969384866311 2766505 COC(=O)C1=CN(N=C1C2=CC=NC=C2)C3=CC=CC=C3 1 2.708 3 2 4.9948967109689 2766504 C1=CC(=CC=C1C(F)(F)F)OC2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F 1 6.416 2 1 4.62186304720983 2766501 COC1=CC=C(C=C1)OC2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F 1 5.457 2 2 1.81497264941341 2766500 CC1=NC(=NC2=C1CCC2)S(=O)(=O)CC3=CC=CC=C3 1 3.028 2 2 -8.6304699385748 2766498 C1=CC=C(C(=C1)CSC2=C(C=C(C=C2)C=NO)[N+](=O)[O-])Cl 1 4.34 2 3 -4.5933755072223 2766497 C1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NO)[N+](=O)[O-] 1 3.669 2 3 3.92039293399086 2766496 CON=CC1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-] 1 3.708 2 3 2.13383389978543 2766488 C1=C(C=C(C=C1Cl)Cl)NC2=NC=NN2 1 2.373 4 0 -0.448580725435778 2766487 CC1=NC(=NC2=C1CCC2)S(=O)(=O)CC3=CC=CC=C3Cl 1 3.692 2 2 -3.77967068977693 2766486 CC1=NC(=NC2=C1CCC2)S(=O)(=O)CC3=CC=C(C=C3)Cl 1 3.692 2 2 -5.99365634320838 2766482 CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NOC)[N+](=O)[O-] 1 4.194 2 3 3.05699912510155 2766477 CN(C)C=NC(=S)NC1=CC(=CC(=C1)Cl)Cl 1 3.818 3 0 -1.33546060398942 2766476 CN(C)C=NC(=S)NC1=CC=CC=C1F 1 2.695 3 0 -3.16503260592304 2766472 C1=CC(=C(C=C1Cl)Cl)NC2=NC=NN2 1 2.373 4 0 0.674766771887657 2766468 C1=CC(=CC=C1NC2=NC=NN2)Cl 1 1.709 4 0 0 0.12345627405033 2766460 CN(C)C=NC(=S)NC1=C(C=C(C=C1)Cl)Cl 1 3.818 3 0 -7.7661898466257e-002 2766458 CC1=C2CCCC2=NC(=O)N1 1 1.026 2 1 0 -8.87713454553096 2766457 CN(C)C=NC(=S)NC1=CC=C(C=C1)Cl 1 3.153 3 0 -0.440847114465856 2766456 C1=CC=C(C=C1)C2=C(N(N=C2)C3=NN=C(C=C3)CC4=C(C=C(C=C4)Cl)Cl)N 1 5.184 5 0 1.02612128433404 2766455 C1=CC(=CC=C1C2=C(N(N=C2)C3=NN=C(C=C3)CC4=C(C=C(C=C4)Cl)Cl)N)F 1 5.389 5 0 2.21251472611449 2766452 C1=CC(=CC=C1C2=C(N(N=C2)C3=NN=C(C=C3)CC4=C(C=C(C=C4)Cl)Cl)N)Cl 1 5.848 5 0 1.33332212809236 2766449 COC(=O)C1=C(C=CS1)C2=CC=C(O2)C(=O)N 1 1.845 1 4 0 -1.45652816601576 2766446 C1CN(CCN1C2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F)C4=NC=CC=N4 1 3.207 6 0 5.8867768498776 2766445 C1CN(CCN1C2=CC=C(C=C2)F)C3=NC4=C(C=C3)C(=CC(=N4)C(F)(F)F)C(F)(F)F 1 5.29 4 0 6.84288869684488 2766443 C1CN(CCN1C2=CC=C(C=C2)Cl)C3=NC4=C(C=C3)C(=CC(=N4)C(F)(F)F)C(F)(F)F 1 5.749 4 0 8.23178402802928 2766442 CN(C)/C=C(\C=NOCC1=C(C=C(C=C1)Cl)Cl)/C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 5.064 3 2 1.19545424269701 2766439 COC(=O)C1=C(C=CS1)C2=CC=C(O2)C(=O)NC3=CN=CC=C3 1 2.477 2 4 -4.6376267723338 2766438 CON=CCC(=O)NC1=CC(=C(C=C1)Cl)Cl 1 2.218 2 2 -3.1321273549945 2766437 C1=CC=C(C=C1)NC(=O)CC=NOCC2=C(C=C(C=C2)Cl)Cl 1 3.801 2 2 -0.951612052931266 2766435 C1=CC(=CC=C1CON=CCC(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 3.031 3 4 0 -3.89550883988234 2766428 COC(=O)C1=C(C=CS1)C2=CC=C(O2)C(=O)NC3=CC(=CC=C3)Cl 1 4.292 1 4 -1.29201337448257 2766418 CON=CCC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 2.449 2 3 -2.94290980699223 2766406 COC1=CC=C(C=C1)C(=O)CC=NOC 1 1.492 1 3 0 -2.65129479217457 2766398 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)CC3=CN=CC=C3 1 1.181 2 3 0 -7.78704432425585 2766393 CC1=C(C=C(C=C1)N/C=C(/C#N)\C2=CSC=C2)C 1 3.63 2 0 -6.9870740397529 2766392 CC1=CC=C(C=C1)N/C=C(/C#N)\C2=CSC=C2 1 3.144 2 0 -6.35650091598408 2766390 COC(CC(=O)NNC(=S)NC1=CC=C(C=C1)Cl)OC 1 2.327 3 3 -9.61546063216435 2766384 C1=CC=C(C=C1)N/C=C(/C#N)\C2=CSC=C2 1 2.658 2 0 -6.51315505435743 2766382 COC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl 1 2.989 1 3 -9.82038151752356 2766375 C1=CC=C(C=C1)C(=O)CN2C=CC=N2 1 1.735 2 1 0 -7.66723065862128 2766374 COC(=O)C1=CC=C(C=C1)N2C=CN=C2 1 1.355 2 2 0 -3.10917365002231 2766365 C1CCN(CC1)C(=O)C2=CC(=CN2)Br 1 2.294 2 1 -3.12611788414142 2766354 COC(=O)C1CCN(CC1)CCCOC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.939 4 5 0 4.05412774858915 2766344 COC(=O)C1CCN(CC1)CC2=CC=C(C=C2)OCCCN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.939 4 5 0 4.05412774858915 2766343 CN1C(=C(C=N1)C#N)N=CN(C)C 1 -9.e-003 5 0 0 -2.33263665034052 2766340 CC(=O)C1=C(N(C2=CC=CC=C2C1=O)C3CCCCC3)O 1 3.554 1 3 -2.09788949252424 2766339 CC(C)N1C2=CC=CC=C2C(=O)C(=C1O)C(=O)C 1 2.422 1 3 -0.757057140469255 2766338 CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.175 1 4 -0.454511337147395 2766331 CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 3.84 1 4 2.47533372026726 2766327 C1CCN(CC1)CCCOC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=C(C=C4)O 1 4.392 3 2 10.3361249898995 2766326 C1CCN(CC1)CCCOC2=CC=C(C=C2)CN3CCCCC3 1 3.922 2 1 4.94717210333884 2766310 CC1=C(C(=NN1C2=C(C=C(C=C2)Cl)Cl)C)C(=O)O 1 3.443 2 2 -0.871849348836971 2766305 CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)F 1 1.765 4 0 0 3.61543253842028 2766302 COC(=O)C1CCN(CC1)C2=NC=CN=C2 1 -6.3e-002 3 2 0 0.313434905820004 2766299 CC1=C(C(=NN1C2=C(C=CC(=C2)Cl)Cl)C)C(=O)O 1 3.443 2 2 -1.85541148198856 2766294 C1CNC(C2=CC=CC=C21)C3C(=O)CC(C(C3=O)N4C=NC=N4)C5=CC(=CC=C5)Cl 1 2.896 4 2 -9.4199003207928 2766291 CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)Cl 1 2.224 4 0 4.72555420354184 2766280 CN1CCCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 2.171 4 1 10.2279543946265 2766275 CC1CCCCN1CCCNC(=O)C2=CC(=C(N2)Br)Br 1 3.235 3 1 -6.89579495356765 2766272 C1CN(CCC1NC(=O)C2=CC(=C(N2)Br)Br)CC3=CC=CC=C3 1 3.433 3 1 0.894148235524152 2766260 CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)N)CCOC)C 1 2.11 2 3 -12.4785622049653 2766253 CCS(=O)(=O)C1=CC2=C(C=C1)OC(C(=O)N2)CCCl 1 1.357 1 4 0 -17.1553737119584 2766244 CCS(=O)(=O)C1=CC2=C(C=C1)OC(C(=O)N2)CCO 1 0.153 1 5 0 -15.8617492577027 2766228 COC1=CC(=C(C=C1)OC)C2C3=C(C4CCN3CC4)NC(=S)N2 1 2.295 3 2 -8.14223918400579 2766224 COC1=CC=CC(=C1O)CC2C(=O)N(C(=O)S2)CC=C 1 2.649 1 4 -5.80445159044149 2766195 CN(OC)S(=O)(=O)C1=CC2=C(C=C1)N3CCCC3C(=O)N2 1 0.357 3 4 0 -9.92660296289653 2766183 C1CC(N(C1)C2=C(C=CC=N2)[N+](=O)[O-])C(=O)O 1 1.352 3 4 0 -6.18708205154586 2766182 CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCCC5C2=O 1 2.961 3 4 0 -14.1020357395268 2766181 CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N4CCCC4C(=O)N3 1 0.469 4 3 0 -17.0072767818042 2766179 COC1=CC=CC=C1CNC(=O)CC2C(=O)NC3=CC=CC=C3S2 1 2.188 2 3 -19.2529173661981 2766178 C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NCC3=CC=C(C=C3)Cl 1 2.869 2 2 -14.7352816383889 2766177 CC1=CC=C(C=C1)CNC(=O)CC2C(=O)NC3=CC=CC=C3S2 1 2.691 2 2 -16.5572803289757 2766176 COC1=CC=C(C=C1)CNC(=O)CC2C(=O)NC3=CC=CC=C3S2 1 2.188 2 3 -16.9702465381198 2766175 CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CN=CC=C3)C#N 1 1.44 3 1 0 -25.7355521349306 2766174 C1CN(CCN1CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4 1 2.391 4 4 0 -3.96134319514478 2766167 CCN1CCN(CC1)CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-] 1 1.156 4 4 0 -6.64393052390235 2766164 CCCCC1C(=C(NC2=C1C(=O)CC(C2)(C)C)C)C#N 1 2.927 2 1 -25.2045060660826 2766162 COC1=CC=CC(=C1)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCCC5C2=O 1 1.972 3 5 0 -15.0019764552044 2766161 CCOC(=O)C(=CNC1=CC(=NN1C(C)(C)C)C)C(=O)OCC 1 1.995 3 4 0 -5.15893991730997 2766159 COC1=CC=CC(=C1)CNC(=O)CC2C(=O)NC3=CC=CC=C3S2 1 2.188 2 3 -17.0764019062501 2766157 CC1=C(C(=O)N(N1)C2=CC=CC=C2)CCOC(=O)C3=CC(=CC=C3)C(F)(F)F 1 3.675 2 3 -4.83483527090092 2766156 CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCCC5C2=O 1 2.475 3 4 0 -14.3152877913533 2766151 C1CC2C(=O)N(C3=C(N2C1)C=CC(=C3)S(=O)(=O)N4CCOCC4)CC5=CC=CC=C5F 1 2.194 3 4 0 -15.9992778862363 2766150 C1CC2C(=O)N(C3=C(N2C1)C=CC(=C3)S(=O)(=O)N4CCOCC4)CC#N 1 0.136 4 4 0 -18.027297275948 2766148 C1CC2C(=O)N(C3=C(N2C1)C=CC(=C3)S(=O)(=O)N4CCOCC4)CC5=CC(=CC=C5)C(F)(F)F 1 2.931 3 4 0 -11.3535629651513 2766147 COC(=O)C1=CC2=C(C=C1)N3CCCC3C(=O)N2 1 1.25 2 3 0 -8.89730358964384 2766144 C1C(C(C(=CC1=O)O)N2C=NC=N2)C3=C(C=CC(=C3)F)F 1 1.568 3 2 0 -5.75486414431599 2766139 CN1C2=CC=CC=C2C3=C1SC(=C3)C(=O)N4CCOCC4 1 2.462 2 2 -7.25883367716176 2766138 CN1C2=CC=CC=C2C3=C1SC(=C3)C(=O)NCCCN(C)C 1 2.769 3 1 -7.20284243287205 2766137 CCCCCC1CCC(CC1)C2=NN=C(O2)SCC(=O)C 1 4.333 2 2 -13.5380221443583 2766134 CN1C2=CC=CC=C2C3=C1SC(=C3)C(=O)NCCOC 1 2.437 2 2 -10.0665290302212 2766133 CCCNC(=O)C1=CC2=C(S1)N(C3=CC=CC=C32)C 1 3.441 2 1 -8.64522142803987 2766132 CCCCCC1=NN2C=CC(=C(C2=N1)C#N)C3=CC=C(C=C3)Cl 1 4.678 4 0 -2.14414897000076 2766123 C1CN(CCC1CO)C2=CC=CC=C2CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-] 1 3.168 4 3 0 0.391385170478007 2766116 C1CN(CCC1CO)C2=CC=CC=C2CNC3=NC=C(C=C3)[N+](=O)[O-] 1 2.205 4 3 0 -4.32488311557293e-002 2766114 COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2N3CCC(CC3)CO)[N+](=O)[O-] 1 3.145 3 5 0 -2.47402889945339 2766112 CC1=NC2=C(C=NN2C3=C1CCN3C(C(C)C)C(=O)OC)C#N 1 2.074 5 2 0 -15.1372003264123 2766108 CC1=NC2=C(C=NN2C3=C1CCN3CC4CCCO4)C#N 1 1.399 5 1 0 -15.2962460176452 2766107 CC1=CC=C(C=C1)CNC(=O)CCCNC(=O)C2=CN(N=C2C(F)(F)F)C 1 2.757 4 2 -15.399780217528 2766105 CN1C=C(C(=N1)C(F)(F)F)C(=O)NCCCC(=O)NCC2=CC=C(C=C2)OC 1 2.255 4 3 0 -15.8127464266722 2766090 CCOC(=O)C1=CN=C2C(=C1OC(CCNS(=O)(=O)C)C(F)(F)F)C=NN2C 1 0.997 4 5 0 -12.442088092824 2766086 CCOC(=O)C1=CN=C2C(=C1OC(CCN)C(F)(F)F)C=NN2C 1 1.185 4 3 0 -8.04575912780768 2766073 CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Cl)C)C(=O)C(=O)NC4=CC=C(C=C4)F 1 4.387 3 3 -4.96564980813198 2766071 CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Cl)C)C(=O)C(=O)NC4=CC=CC=C4 1 4.182 3 3 -5.83418097197058 2766068 CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Cl)C)C(=O)C(=O)NC 1 2.605 3 3 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2 5 0 -12.771934614712 2765900 CC1=CC=C(C=C1)C(=O)NC2=C(SC(=C2C3=CC=CC=C3)SCC#N)C#N 1 4.848 3 1 -6.78232035161431 2765899 C1=CC=C(C=C1)C2=C(SC(=C2NC(=O)C3=CC=C(C=C3)F)C#N)SCC#N 1 4.567 3 1 -6.07044332614906 2765898 C1=CC=C(C=C1)C2=C(SC(=C2NC(=O)C3=CC=CC=C3)C#N)SCC#N 1 4.362 3 1 -7.87099938117191 2765893 C1CS(=O)(=O)CCN1C(CC2=CC=CC=C2)C(=O)O 1 -1.777 1 4 0 -8.42410413530886 2765890 C1CN(CCN1CCO)CC(C(F)(F)F)O 1 0.234 2 2 0 0.406831407102583 2765873 CCOC(=O)C(CSCC(=O)C1=CC=C(C=C1)Br)NC(=O)OC(C)(C)C 1 3.757 1 5 -17.6245011456471 2765872 CCOC(=O)C(CSCC(=O)C1=CC=C(C=C1)Cl)NC(=O)OC(C)(C)C 1 3.673 1 5 -16.1678414005456 2765871 CCOC(=O)C(CSCC(=O)C1=C(C=C(C=C1)Cl)Cl)NC(=O)OC(C)(C)C 1 4.338 1 5 -14.0244976862555 2765870 CCOC(=O)C(CSCC(=O)OCC=C)NC(=O)OC(C)(C)C 1 2.077 1 6 0 -26.2916792760682 2765866 CCOC(=O)C(=CC1=CC=C(C=C1)F)C(=O)OCC 1 2.871 0 4 1.84454330790975 2765842 CCOC(=O)CSCC(C(=O)OCC)NC(=O)OC(C)(C)C 1 1.809 1 6 0 -22.7666345135655 2765837 CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)OC(C)(C)C 1 3.336 1 4 -20.167082159982 2765832 COCCN1C=CC(=O)C(=C1O)CC2=CC=C(C=C2)Cl 1 2.792 1 3 -2.87642139685521 2765831 C1=CC(=C(C(=C1)Cl)CONC=NC2=C3C=CSC3=NC=N2)Cl 1 3.711 4 1 -0.484513391009336 2765830 C1=CC(=C(C=C1Cl)Cl)CONC=NC2=C3C=CSC3=NC=N2 1 3.711 4 1 4.17941466271738 2765828 C1=CC(=CC(=C1)Cl)CONC=NC2=C3C=CSC3=NC=N2 1 3.047 4 1 4.13491876896874 2765821 C1=CC(=CC=C1CONC=NC2=C3C=CSC3=NC=N2)Cl 1 3.047 4 1 3.86640870531014 2765815 CCCCN1C=CC(=O)C(=C1O)CC2=CC=C(C=C2)F 1 3.793 1 2 -2.49707718666142 2765814 C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NNC(=S)S3 1 3.319 3 2 -8.48934014052428 2765810 C1CC(OC1)CN2C=CC(=O)C(=C2O)CC3=CC=C(C=C3)F 1 2.823 1 3 -7.82119488017593 2765809 C1=CC=C2C(=C1)NC3=C(C=CC=N3)C(=O)N2CCCF 1 2.392 3 1 -6.31438485282086 2765798 C#CCSC1=NC=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2 1 2.453 2 3 -17.2169594848504 2765794 C1C(N2C(=O)C3=CC=CC=C3N=C2S1)CBr 1 2.893 2 1 -8.68877297381724 2765793 C=CCNCC(=O)NN=C(C1=CC=CC=C1)C2=CC=CC=C2 1 2.75 3 1 -11.4263223019568 2765785 CN1C2=C(C(=NNC3=CC=C(C=C3)F)CS1(=O)=O)SC=C2 1 2.391 3 2 -5.12833108557034 2765784 CC1=CC=C(C=C1)NN=C2CS(=O)(=O)N(C3=C2SC=C3)C 1 2.671 3 2 -5.84020811103559 2765780 CN1C2=C(C(=NNC3=CC=CC=C3)CS1(=O)=O)SC=C2 1 2.185 3 2 -5.99686224940894 2765776 C1CNCCN(C1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1 2.207 4 4 0 -3.22667118590525 2765774 C1(=C(C(=C(C(=C1F)F)F)F)F)NNC(=S)N 1 2.78 3 0 -1.9697777605325 2765769 CC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-] 1 3.441 3 5 0 -5.81806515218772 2765726 CCSC1=NC=C(N1C)C=NNC2=CC=CC=C2 1 3.265 4 0 -1.55913728954858 2765728 CCSC1=NC=C(N1C)C=NNC2=CC=C(C=C2)[N+](=O)[O-] 1 3.16 5 2 0 -3.90833100144618 2765766 COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-] 1 3.16 3 5 0 -5.10618812672247 2765765 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-] 1 2.812 3 6 0 -18.978554536416 2765745 CC(=O)C1=CC=C(C=C1)N2CC2C3=CC=NC=C3 1 2.012 2 1 -2.70470021768025 2765719 CCOC(=O)C1=C(C2=C(C=CN=C2S1)N(C)C)N=CNOCC3=C(C=CC=C3Cl)F 1 3.999 4 3 0 -8.55487333613903 2765718 CCOC(=O)C1=C(C2=C(C=CN=C2S1)N(C)C)N=CNOC 1 1.546 4 3 0 -8.50377705937047 2765717 CCOC(=O)C1=C(C2=C(C=CN=C2S1)N(C)C)N=CNOCC3=CC=CC=C3 1 3.129 4 3 0 -6.88254322135859 2765715 CC1=CC=C(C=C1)C(=O)CN2C(=O)C(=O)N(C2=O)CC3=CC=CC=C3 1 2.655 2 4 -6.71061826564714 2765714 CCOC(=O)CN1C(=O)C(=O)N(C1=O)CC2=CC=CC(=C2)C 1 1.455 2 5 0 -6.90556346086159 2765713 CCOC(=O)C1=C(C2=C(C=CN=C2S1)N(C)C)N=CN(C)C 1 1.906 4 2 0 -9.8941845070704 2765710 C1=CC=C(C=C1)CN2C(=O)C(=O)N(C2=O)CCOC3=CC=CC=C3 1 2.545 2 4 -3.40587102095148 2765709 CC1=CC(=CC=C1)CN2C(=O)C(=O)N(C2=O)CC3=CC=CC=C3OC 1 2.966 2 4 -3.69834509490619 2765700 COC1=C(C(=NC=C1)OC2=CC=C(C=C2)F)C(=O)N=CNOCC3=CC=C(C=C3)F 1 3.776 3 4 0 -0.88749134679313 2765698 CC(=NOC(=O)C1=CC=CS1)C2CC2C3=CC=C(C=C3)OC 1 3.429 1 3 -4.30572007649119 2765697 COC1=C(C(=NC=C1)OC2=CC=C(C=C2)F)C(=O)N=CNOCC3=CC(=CC=C3)F 1 3.776 3 4 0 0.561823205850578 2765696 COC1=C(C(=NC=C1)OC2=CC=C(C=C2)F)C(=O)N=CNOCC3=CC=CC=C3OC 1 3.554 3 5 0 -2.53016534609695 2765691 COC1=C(C(=NC=C1)OC2=CC=C(C=C2)F)C(=O)N=CNOCC3=C(C=C(C=C3)F)Cl 1 4.441 3 4 0 -5.53836053451503e-002 2765690 COC1=C(C(=NC=C1)OC2=CC=C(C=C2)F)C(=O)N=CNOCC3=C(C=C(C=C3)Cl)Cl 1 4.899 3 4 0 2.07383224341848 2765689 COC1=C(C(=NC=C1)OC2=CC=C(C=C2)F)C(=O)N=CNOCC3=CC=CC=C3 1 3.571 3 4 0 -0.875987309355175 2765688 COC1=C(C(=NC=C1)OC2=CC=C(C=C2)F)C(=O)N=CNOCC3=C(C=CC=C3Cl)Cl 1 4.899 3 4 0 -2.59009581030823 2765687 COC1=C(C(=NC=C1)OC2=CC=C(C=C2)F)C(=O)N=CNOC 1 1.987 3 4 0 -2.39949124709267 2765685 CCOC(=O)C1=C(C2=C(C=CN=C2S1)OC)N=CNOC 1 1.367 3 4 0 -7.25001275584308 2765683 CC(=NOC(=O)C1CC1)C2CC2C3=CC=C(C=C3)OC 1 2.569 1 3 -5.8676802329904 2765682 CC(=NOC(=O)C1=CC=C(C=C1)F)C2CC2C3=CC=C(C=C3)OC 1 3.681 1 3 -0.467728358721698 2765678 CCOC(=O)C1=C(C2=C(C=CN=C2S1)OC)N=CN(C)C 1 1.727 3 3 0 -8.63713127247426 2765671 C1=CC(=C(C=C1Cl)[N+](=O)[O-])NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.65 4 2 3.76065845920424 2765666 C1=CC(=C(C(=C1)Cl)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-] 1 4.65 4 2 1.58598928522512 2765659 COC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=CC=C2)CC=NOC 1 0.651 2 6 0 -10.2537208089404 2765658 C1=CN=CC=C1CN2C=C(C(=O)NC2=O)C#N 1 -0.534 4 2 0 -7.69159055148941 2765652 COC1=C(C=C(C=C1)CCN2C(=O)C3C4CC(C3C2=O)C=C4)OC 1 1.982 1 4 0 -4.80008410919153 2765646 CC1=C(C(NC(=S)N1)C2=CC=CO2)C(=O)NC3=CC=CC=C3 1 2.57 3 2 -27.4050952052876 2765631 CC(C)(CCl)C(=O)NC1=CC=C(C=C1)OC(F)(F)F 1 4.73 1 2 -1.09357064137397 2765582 CCCCNC1=C(C(=NC(=N1)NC)Cl)SC 1 3 4 0 -2.82268894039003 2765577 CCN(CC)C(=O)CS(=O)(=O)CC(=O)NC1=CC(=C(C=C1Cl)Cl)OCCOC 1 1.56 2 6 0 -14.0956005442212 2765576 CCN(CC)C(=O)CS(=O)CC(=O)NC1=CC(=C(C=C1Cl)Cl)OCCOC 1 1.464 2 5 0 -10.6409452431405 2765574 CN(C)C(=O)CS(=O)(=O)CC(=O)NC1=CC(=C(C=C1Cl)Cl)OCCOC 1 0.863 2 6 0 -10.8424387473918 2765573 CN(C)C(=O)CS(=O)CC(=O)NC1=CC(=C(C=C1Cl)Cl)OCCOC 1 0.767 2 5 0 -7.38778344631112 2765563 CNC(=O)CS(=O)(=O)CC(=O)NC1=CC(=C(C=C1Cl)Cl)OCCOC 1 0.657 2 6 0 -11.3167409587324 2765562 CNC(=O)CS(=O)CC(=O)NC1=CC(=C(C=C1Cl)Cl)OCCOC 1 0.561 2 5 0 -7.86208565765172 2765558 CC(C)OC1=C(C=C(C(=C1)NC(=O)CS(=O)(=O)CC(=O)N(C)C)Cl)Cl 1 1.72 2 5 0 -10.3439608488127 2765557 CC(C)OC1=C(C=C(C(=C1)NC(=O)CS(=O)CC(=O)N(C)C)Cl)Cl 1 1.624 2 4 0 -6.889305547732 2765554 CC(C)OC1=C(C=C(C(=C1)NC(=O)CS(=O)(=O)CC(=O)NC)Cl)Cl 1 1.514 2 5 0 -10.8182630601533 2765553 CC(C)OC1=C(C=C(C(=C1)NC(=O)CS(=O)CC(=O)NC)Cl)Cl 1 1.418 2 4 0 -7.3636077590726 2765529 C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)CSC3=CC=C(C=C3)Cl 1 5.549 2 0 6.26245583711333 2765518 CC(C(=O)NCCS(=O)(=O)C1=CC=C(C=C1)Br)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.487 1 5 -10.4356033958122 2765508 C1=CC=C(C=C1)S(=O)(=O)CCNC(=O)CS(=O)(=O)C2=CC=C(C=C2)F 1 1.795 1 5 0 -13.5267507837263 2765506 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCCS(=O)(=O)C2=CC=CC=C2 1 1.838 1 5 0 -17.3692770661106 2765499 C1=CC=C(C=C1)SCCNC(=O)CSC2=CC=C(C=C2)F 1 3.827 1 1 -7.60222221244312 2765498 CC(C(=O)NCCS(=O)(=O)C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.403 1 5 -11.6272612835151 2765497 CC1=CC=C(C=C1)S(=O)(=O)C(C)C(=O)NCCS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.225 1 5 -10.8009423412976 2765489 CC(C(=O)NCCS(=O)(=O)C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CC=C2 1 2.739 1 5 -12.2247505747823 2765488 C1=CC(=CC=C1S(=O)(=O)CCNC(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl)Cl 1 2.919 1 5 -11.8191398273376 2765485 CCOC(=O)C1C(N=C(NC1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.809 2 3 -8.80675634466284 2765461 CCOC(=O)CN(C1=CC=CC=N1)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.951 2 5 0 -13.6124917077725 2765456 COC1=C(C=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=O)C3=C2)OC 1 3.647 2 3 -8.12136698963207e-002 2765447 C1=CC=C2C(=C1)C3=NN=C(C=C3C2=O)C4=CC=C(C=C4)F 1 3.885 2 1 4.31977802712567 2765444 COC(=O)CSC1=CC=CC2=C1C(=O)CC2C3=CC=CC=C3 1 3.428 0 3 -11.5048324694485 2765442 CCOC(=O)C1CC(=NNC1=O)C2=CC=C(C=C2)Cl 1 1.894 2 3 0 -8.66447484461071 2765420 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(C3=CC=C(C=C3)F)C(=O)N 1 3.971 1 2 -3.44789488813841 2765399 C1=CC2=C(C=C1C(F)(F)F)N3C=NN=C3C(=O)N2CCNC4=C(C=C(C=N4)C(F)(F)F)Cl 1 3.938 6 1 0 1.83366905692316 2765392 COC1=CC(=CC(=C1OC)OC)C(=O)NCCSC2=CC=C(C=C2)Br 1 3.927 1 4 -9.11940040532627 2765391 COC1=CC=CC(=C1)C(=O)NCCSC2=CC=C(C=C2)Br 1 3.96 1 2 -6.18742363218761 2765390 COC1=CC(=CC(=C1OC)OC)C(=O)NCCSC2=CC=C(C=C2)F 1 3.384 1 4 -8.7728623253464 2765389 COC1=CC=CC(=C1)C(=O)NCCSC2=CC=C(C=C2)F 1 3.417 1 2 -5.84088555220774 2765371 C1=CSC(=C1)C2=C(SC3=C2N=CC(=C3)C(F)(F)F)C(=O)NC4=CC=C(C=C4)F 1 5.665 2 1 -9.21079625730409e-002 2765369 CN(C)CCCNC(=O)CCC1=C(C=C(C=N1)C(F)(F)F)Cl 1 2.193 3 1 -7.1890486330088 2765342 CC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=C(C=C3)Cl 1 3.835 1 2 3.47385443326158 2765338 CCCCOC1CC(N(O1)C)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)OC)OC 1 4.382 1 5 -4.1156045881378 2765322 C1CN(CCN1C2=CC=CC=N2)C3=NC(=C(C=C3C#N)C#N)N 1 1.328 7 0 0 0.425185433664406 2765311 COC(=O)C1=C(C=CS1)OC2=C(C=CC=C2Cl)[N+](=O)[O-] 1 3.757 1 5 -4.06171156176051 2765296 C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)OC3=CC=C(C=C3)F)F 1 5.015 2 1 3.99005862641329 2765294 CC1=C(C=CC(=C1)Cl)OC2=C(C=CC(=N2)C3=CC=C(C=C3)F)C#N 1 5.96 2 1 6.97388624777071 2765293 C1=CC=C(C=C1)OC2=C(C=CC(=N2)C3=CC=C(C=C3)F)C#N 1 4.81 2 1 4.32814355666203 2765291 C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)OC3=CC(=C(C=C3)Cl)Cl)F 1 6.138 2 1 5.79555811087909 2765288 C1=CC=C(C=C1)SC2=C(C=CC(=N2)C3=CC=C(C=C3)F)C#N 1 5.368 2 0 2.29690130255122 2765283 C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)SC3=CC=C(C=C3)F)F 1 5.573 2 0 2.39374758564979 2765245 C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)OC3=CC=C(C=C3)F)Cl 1 5.474 2 1 6.63837625921766 2765222 CC1=CC(=CC=C1)SC2=C(C=CC(=N2)C3=CC=CC=C3)C#N 1 5.648 2 0 2.24961027146005 2765221 CC1=CC=C(C=C1)SC2=C(C=CC(=N2)C3=CC=CC=C3)C#N 1 5.648 2 0 2.03367308608689 2765220 C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SC3=CC=C(C=C3)F 1 5.368 2 0 2.74555011155214 2765200 C1=CC(=CC=C1C(C(=O)NC2=CC=C(C=C2)Br)SCC(=O)O)Cl 1 4.044 1 3 -7.71720536461919 2765193 C1=CC=C(C(=C1)[N+](=O)[O-])OC2=C(SC=C2)C(=O)O 1 2.867 1 5 -7.13432036093036 2765180 C1=CC=C(C=C1)CS(=O)CC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O 1 5.108 0 2 6.03415953475556 2765169 C1=CC=C(C=C1)C(CS(=O)CC2=CC=C(C=C2)Cl)(C3=CC=CC=C3)O 1 4.443 0 2 6.07153411132103 2765160 C1=CC=C(C=C1)CS(=O)CC(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.779 0 2 3.14168905390637 2765135 CN1C=C(C=C1C=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.478 2 4 -3.19332115021646 2765133 CN1C=C(C=C1C=O)C(=O)C2=CC=CC=C2 1 2.584 1 2 -1.89457093036857 2765129 CSCC(=O)/C(=C\NC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl)/C#N 1 4.245 3 2 -1.20834052834812 2765115 COC(=O)C1CC(CN1C(=O)C2=CC=CO2)O 1 -0.148 1 5 0 -4.87359801004203 2765114 C1COCCN1C(=O)C2=NOC(C2)CNC3=C(C=C(C=N3)C(F)(F)F)Cl 1 1.665 4 3 0 -3.6651016046859 2765112 COC(=O)C1CC(CN1S(=O)(=O)C2=CC=CS2)O 1 -5.4e-002 1 5 0 -8.86786999512913 2765111 C1C(CN(C1C(=O)O)C(=O)C2=CC=CO2)O 1 -0.374 1 5 0 -5.42377531245884 2765110 CC(C)(C)C(=O)N(C)C1C(COC2=C1C3=CC=CC=C3C=C2)CO 1 2.965 1 3 -0.365048671759744 2765108 C1C(CN(C1C(=O)O)S(=O)(=O)C2=CC=CS2)O 1 -0.28 1 5 0 -9.33185168720675 2765106 CN(C1C(COC2=C1C3=CC=CC=C3C=C2)CO)C(=O)C4=CC=CC=C4 1 3.083 1 3 -1.57135313940256 2765101 C1C(ON=C1C(=O)N)CNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.565 4 2 0 1.31510752677839 2765097 C=CCON1C(=O)C2=CC=CC=C2C1=O 1 1.325 1 3 0 -6.29528850401797 2765095 CC1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)C2=CC=C(C=C2)Cl)C(=O)N 1 3.321 1 4 -2.98789719303401 2765094 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)F 1 3.721 3 2 2.47417741559666 2765086 C1CCN(C1)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)Cl 1 3.825 2 1 -4.74575920062689 2765077 CCCCC(=O)NC1=CC=C(C=C1)N2CCCC2 1 3.152 2 1 -6.84169754668298 2765075 COC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2Cl 1 2.831 1 4 -16.4853529347143 2765073 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O 1 1.773 1 4 0 -10.7304104394381 2765066 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)Cl 1 4.281 2 1 -5.10022771479497 2765064 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O 1 1.689 1 4 0 -9.27375069433669 2765063 COC(=O)CSC1=C(SC=C1)C(=O)O 1 1.662 0 4 0 -12.6401407889541 2765062 COC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O 1 2.246 1 5 -13.8869078056426 2765042 C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.927 1 4 -11.6519429059117 2765041 CC1=C(C(=CC=C1)C)NC(=O)C2=C(C=CS2)SCC3=CC(=CC=C3)C(F)(F)F 1 6.608 1 1 -7.79950267574774 2765040 C1=CC(=CC(=C1)C(F)(F)F)CSC2=C(SC=C2)C(=O)NC3=C(C=C(C=C3)F)F 1 6.046 1 1 -6.24939199353459 2765038 C1=CC(=CC(=C1)C(F)(F)F)CSC2=C(SC=C2)C(=O)NC3=CC=C(C=C3)F 1 5.841 1 1 -5.79805449678291 2765033 C1=CC(=C(C=C1CSC2=C(SC=C2)C(=O)O)Cl)Cl 1 4.867 0 2 -7.34117822916661 2765029 CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)OC 1 2.653 1 4 -15.5707295591678 2765014 C1CS(=O)(=O)CC1N2C=C(C=N2)C(=O)N 1 -1.011 3 3 0 -14.7790480713654 2765011 C1CN(CCC1=NOCC2=CC(=CC=C2)C(F)(F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.383 3 1 6.81031145404464 2765008 CC1=CC=C(C=C1)CON=C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.927 3 1 6.40268776133834 2765006 C1CN(CCC1=NOCC2=CC=C(C=C2)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.106 3 1 7.40855745040668 2765003 C1CN(CCN1CC2=CC=CC=C2)CC(=O)C3=CC=CC=C3 1 3.116 2 1 -1.31260479742092 2764998 CC(=O)C1=CC=C(C=C1)N2CCC(CC2)C(=O)O 1 1.834 1 3 0 -3.35772602467707 2764985 CCOC(=O)C(C)ON1C2=C(C=CC(=C2)[N+](=O)[O-])N=C1C3=CC=C(C=C3)Cl 1 2.282 3 5 0 -2.49488652511645 2764984 CC(C(=O)O)ON1C2=C(C=CC(=C2)Cl)N=C1C3=CC=CC=C3 1 1.813 2 3 0 0.966664800527836 2764975 CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 4.267 2 2 0.974164755828996 2764966 CC(C(=O)O)ON1C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC 1 1.133 2 4 0 -1.82982717978656 2764953 CC1=NN(C(=C1[N+](=O)[O-])CC=NOC)C 1 0.741 4 3 0 -1.13897119557105 2764938 C1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)Cl.[I-] I- 1 3.354 1 1 1.86108860647777e-002 2764931 CC1(NC(=O)N(N1)C2=CC=CC=C2)C3=CC=C(C=C3)O 1 1.959 3 2 0 5.21974478518575 2764926 COC(=O)/C(=C\NC1=C(C=C(C=C1)Cl)Cl)/NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.64 2 3 -4.79263798333431 2764925 COC(=O)/C(=C\NC1=CC=CC=C1)/NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.312 2 3 -3.58472045030137 2764924 COC(=O)/C(=C\NC1=C(C=C(C=C1)Cl)Cl)/NC(=O)C2=CC=CC=C2 1 3.312 2 3 -6.82859581042052 2764922 C=CCNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=CC(=CC=C2)Cl 1 2.296 4 2 -11.8453757193284 2764921 C1=CC=C(C=C1)CN2C=CC=C(C2=O)C3=NN=C(O3)SCC4=C(C=C(C=C4)Cl)Cl 1 4.72 3 2 -9.64423248390995 2764920 C1=CC=C(C=C1)CN2C=CC=C(C2=O)C3=NN=C(O3)SCC4=CC(=C(C=C4)Cl)Cl 1 4.72 3 2 -9.3576268792139 2764919 C=CCN1C(=NNC1=S)C2=CC=CN(C2=O)CC3=CC=CC=C3 1 2.314 4 1 -11.7196425398468 2764916 CNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=CC=CC=C2 1 1.015 4 2 0 -11.405685737574 2764915 C1=CC=C(C=C1)CN2C=CC=C(C2=O)C3=NNC(=S)O3 1 2.139 3 2 -8.23001665914355 2764912 C=CCN1C(=NNC1=S)C2=CN(C(=O)C=C2)CC3=CC=CC=C3 1 2.314 4 1 -10.1285861803051 2764909 CCNC(=S)NNC(=O)C1=CN(C(=O)C=C1)CC2=CC=CC=C2 1 1.364 4 2 0 -10.3409106561498 2764908 C=CCNC(=S)NNC(=O)C1=CN(C(=O)C=C1)CC2=CC=CC=C2 1 1.632 4 2 0 -13.283631803933 2764897 C#CCOC(=O)C1=CN(C(=O)C(=C1)Cl)CC2=C(C=C(C=C2)Cl)Cl 1 4.17 1 3 -3.3342632353235 2764895 CC(C)OC(=O)C1=CN(C(=O)C(=C1)Cl)CC2=C(C=C(C=C2)Cl)Cl 1 3.704 1 3 -4.20151385574141 2764893 C=CCN1C(=NNC1=S)C2=CC=CN(C2=O)CC3=C(C=C(C=C3)Cl)Cl 1 3.643 4 1 -9.36069152748899 2764892 C=CCNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=C(C=C(C=C2)Cl)Cl 1 2.961 4 2 -12.2988608059867 2764891 CCN1C(=NNC1=S)C2=CC=CN(C2=O)CC3=C(C=C(C=C3)Cl)Cl 1 3.375 4 1 -4.99205750531011 2764888 CCNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=C(C=C(C=C2)Cl)Cl 1 2.693 4 2 -9.35613965820343 2764887 CNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=C(C=C(C=C2)Cl)Cl 1 2.344 4 2 -9.04673472521618 2764885 C1=CN(C(=O)C(=C1)C(=O)NN)CC2=C(C=C(C=C2)Cl)Cl 1 1.264 3 2 0 -2.83998574033413 2764881 CNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=CC(=C(C=C2)Cl)Cl 1 2.344 4 2 -9.03114589917796 2764880 CNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=CC(=CC=C2)C(F)(F)F 1 1.957 4 2 0 -7.48930810237077 2764879 C1=CC(=CC(=C1)C(F)(F)F)CN2C=CC=C(C2=O)C(=O)NN 1 0.878 3 2 0 -1.28255911748873 2764876 C1=CC(=C(C=C1Cl)Cl)CN2C=C(C=CC2=O)C(=O)N 1 1.756 2 2 0 -0.998754316837259 2764875 C1=CC(=C(C=C1Cl)Cl)CN2C=C(C=C(C2=O)Cl)C(=O)O 1 2.753 1 3 -0.215570782564831 2764874 C1=CC(=C(C=C1CN2C=C(C=CC2=O)C(=O)N)F)F 1 0.838 2 2 0 -1.83629772637511 2764864 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CC1=C(C(=NS1)S(=O)(=O)C(=NNC2=CC=CC(=C2)C(F)(F)F)C#N)C#N 1 3.542 5 2 0 -2.15313569830491 2764776 CC1=C(C(=NS1)S(=O)(=O)C(=NNC2=CC=C(C=C2)OC)C#N)C#N 1 2.583 5 3 0 -7.04871811079796 2764765 COC(=O)C1=C(C2=C(S1)C=NC=C2)N 1 0.941 2 2 0 -2.95339869333733 2764700 CCOC(=O)/C(=C\N(C)C)/C#N 1 0.363 2 2 0 -6.51850927758399 2764701 CSC(=NC#N)N1CCN(CC1)C2=CC=CC=C2 1 2.603 4 0 0.507508060562692 2764704 C1CN(CCN1C2=CC=CC=C2)C3=NNC(=N3)N 1 1.077 6 0 0 5.44512883981068 2764705 C1CN(CCN1C2=CC=C(C=C2)F)C3=NNC(=N3)N 1 1.283 6 0 0 6.41830906041817 2764707 CN1C(=NC(=N1)N)N2CCN(CC2)C3=CC=C(C=C3)F 1 1.489 6 0 0 4.43963733119114 2764714 COC(=O)C1=C(C=CS1)C2=CC=C(O2)C=NOCC3=C(C=CC=C3Cl)Cl 1 5.621 1 4 -3.0738375549303 2764752 C1=CC=C(C=C1)CSC2=NN=C(C=C2)CC3=C(C=C(C=C3)Cl)Cl 1 6.186 2 0 -2.22724260570909 2764747 CC1=C(C(=NS1)S(=O)(=O)C(=NNC2=CC=CC=C2)C#N)C#N 1 2.6 5 2 0 -6.79240604002717 2764741 CCOC(=O)C(=CC1=CC=C(O1)C2=C(SC=C2)C(=O)OC)C(=O)OCC 1 3.68 0 7 0 -2.47481940021634 2764727 COC(=O)C1=C(C=CS1)C2=CC=C(O2)C=NOC(=O)C3=CC=CC=C3 1 4.157 1 5 -2.3707614805029 2764725 C1COCCN1C2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F 1 3.143 3 1 1.40975813771233 2764724 C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(C=C3)C(=CC(=N4)C(F)(F)F)C(F)(F)F 1 5.085 4 0 6.14848214230023 2764722 C1=CC(=NC2=C1C(=CC(=N2)C(F)(F)F)C(F)(F)F)NN 1 2.552 4 0 2.75021739493452 2764721 COC(=O)C1=C(C=CS1)C2=CC=C(O2)C(=O)NC3=CC=CC=C3 1 3.628 1 4 -4.19753676956136 2764693 CC(C1=CC=NN1S(=O)(=O)C)OC2=CC=C(C=C2)Cl 1 2.848 2 3 -4.49861600071501 2764692 CCNC(=O)N1C(=CC=N1)C(C)OC2=CC=CC(=C2)C(F)(F)F 1 3.68 3 2 -5.09899549171529 2764691 CC(C)(C)S(=O)(=O)C(=NNC1=CC=C(C=C1)S(=O)(=O)N)C#N 1 1.084 4 4 0 -7.70427276680538 2764689 CC(C)(C)S(=O)(=O)C(=NNC1=CC=C(C=C1)SC)C#N 1 2.92 3 2 -1.44934461988238 2764688 CC(C)(C)C1=CC=C(C=C1)NN=C(C#N)S(=O)(=O)C(C)(C)C 1 3.779 3 2 -1.02754822977537 2764687 CC1=CC(=CC=C1)NN=C(C#N)S(=O)(=O)C(C)(C)C 1 2.865 3 2 -1.65001239329888 2764686 CC(C)(C)S(=O)(=O)C(=NNC1=CC(=CC=C1)OC)C#N 1 2.362 3 3 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CC1=CC=CC(=C1)C(=O)OC2=CC=CC=C2C3=NN=CO3 1 3.047 2 3 -5.89588356933965 2764593 C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C3=NN=CO3 1 2.561 2 3 -6.15177591124585 2764524 C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)NN 1 1.843 2 2 0 0.614030563014066 2764476 C1C(=C(C(=O)O1)C#N)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.224 1 2 0.594938113228263 2764477 COC1=CC=C(C=C1)C2=C(C(=O)OC2)C#N 1 1.689 1 3 0 -1.3397021217763 2764506 C1CN(CCC1C2=CC(=NN2)C3=CC=CO3)CC#N 1 2.118 4 1 2.6126224348954 2764503 C1CNCCC1C2=CC(=NN2)C3=CC=CO3 1 1.852 3 1 0 -2.13074830674067 2764499 COC(=O)C1=C(C2=CC=CC=C2C1(C#N)C3=CC=CC=C3)N 1 1.944 2 2 0 -5.15969944917615 2764495 C1=CC=C2C(=C1)N=C(S2)C3=C(N=CC=C3)Cl 1 3.561 2 0 7.42609484953961 2764494 CC(=O)C1=NOC2C1C(=O)N(C2=O)C3=CC=C(C=C3)Cl 1 1.049 2 4 0 -4.59269615597521 2764493 C1CN(CCN1C2=NC(=CC=C2)Cl)C3=NC(=C(C=C3C#N)C#N)N 1 1.582 7 0 0 0.579904110211263 2764458 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CCl 1 0.892 1 3 0 -3.65412715307447 2764407 C1=CSC(=C1)C2=NC(=NC=C2)N 1 1.725 3 0 0 -1.02260618641467 2764394 C1=CN(N=C1)CC2=CN=C(S2)Cl 1 1.473 3 0 0 -1.72294374057495 2764393 C1=CN=C(N=C1)OC2=CC=C(C=C2)CC#N 1 2.046 3 1 -1.05053228615591 2764392 CC(=O)C1=CC(=CC=C1)OC2=NC=CC=N2 1 1.872 2 2 0 -4.25686618315023 2764385 C1C(C2=C(O1)C3=CC=CC=C3OC2=O)O 1 0.79 0 4 0 -3.75800264594002 2764383 COC1=CC=C(C=C1)NC(=O)C2=C(C=CN=C2)C(=O)OC 1 1.303 2 4 0 -8.11261905926662 2764380 C1C(ON=C1C(=O)O)CNC(=O)C2=CC=CC=C2Cl 1 1.262 2 4 0 -10.8426996429078 2764379 CCOC(=O)C1=NOC(C1)CN2C=C(C(=O)NC2=O)C(=O)C 1 -0.982 3 6 0 -13.3703229294988 2764378 CCOC(=O)C1=NOC(C1)CNC(=O)C2=CC=CC=C2Cl 1 1.836 2 4 0 -12.7738879812823 2764374 C1C2=CC=CC=C2C(=O)N1C(CC3=CC=CC=C3)C(=O)O 1 2.519 1 3 -7.37651275524802 2764365 CC(C(=O)C)OC1=C(SC=C1)C(=O)OC 1 1.688 0 4 0 -9.36660801231207 2764358 C1=CC(=CC(=C1)Cl)N2C(=CC(=O)C(=N2)C(=O)O)O 1 2.551 2 4 0.375021535817346 2764351 C1=CC(=C(C=C1Cl)Cl)C(=O)C2=CNC(=C2)C(=O)N 1 2.95 2 2 2.57429920433702 2764311 COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3 1 3.282 3 4 0 -8.6073013990426e-002 2764250 CC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O 1 4.06 0 3 -1.6625263031434 2764294 COC1=CC=CC(=C1)C(CC(=O)O)N 1 -1.801 1 3 0 -5.88538966205198 2764268 C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)CC(=O)O 1 4.241 1 2 -3.01030125926504 2764245 CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C=O 1 3.676 1 2 0.450672814297765 2764244 CC(C)N1C(=NNC1=S)CSCC2=C(C=C(C=C2)Cl)Cl 1 4.557 3 0 -6.9670351779423 2764243 CCN1C(=NNC1=S)CSCC2=C(C=CC=C2Cl)Cl 1 4.18 3 0 -8.46939938751315 2764242 CCN1C(=NNC1=S)CSCC2=CC=C(C=C2)Cl 1 3.515 3 0 -5.7604226488382 2764237 COC(=O)C1=CC=C(C=C1)CON2C(=O)C3=CC=CC=C3C2=O 1 2.147 1 5 -5.42271687853905 2764233 CCOC(=O)C1=CC=CC=C1C2=CSC(=N2)N 1 2.231 2 2 7.85737021005064e-002 2764231 C1=CC(=CC=C1COC2=C(SC=C2)C(=O)NN)Cl 1 2.525 2 2 -1.90868230975048 2764230 CC1=CC=C(C=C1)C(=O)NC2=CC(=C(OC2=O)C)C(=O)OC 1 1.627 1 5 0 -10.2459707018031 2764222 CC1=CC=C(C=C1)C(C#N)C2=NN=C(C=C2)Cl 1 3.408 3 0 0.182078379784913 2764220 CC1=CC=C(C=C1)COC2=C(SC=C2)C(=O)NN 1 2.347 2 2 -3.7306810003373 2764216 CC1=C(C(=NO1)C)CC2=CC=C(C=C2)O 1 2.444 1 2 -5.52681592970285 2764198 CC(C)C1=CC=C(C=C1)NC2CCN(CC2)C(=O)OC(C)(C)C 1 3.777 2 2 -7.1783926443933 2764168 C1=CC2=C(C=C1NC(=S)N)NN=C2 1 1.724 4 0 0 -2.4858082727059 2764166 CN1C2=C(C=C(S2)C(=O)O)C(=N1)C3=CC=CC=C3 1 3.087 2 2 0.371709467489359 2764158 CSC1=CC=CC=C1C2=NNC(=S)O2 1 3.085 2 1 -8.06717022382762 2764155 COC1=CC=C(C=C1)C(=O)C2=CC=C(S2)CC#N 1 3.376 1 2 -2.58381381045579 2764134 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=N)CC#N 1 1.987 4 0 0 1.32821974317729 2764133 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=N)CC#N 1 1.987 4 0 0 -1.25237671577103 2764129 C1=CC=C(C=C1)C(=O)NC2=C(SC=C2)C(=O)O 1 2.197 1 3 -9.57581748667124 2764124 C1=COC(=C1)C2=CC=NC3=NC(=NN23)N 1 1.357 5 1 0 0.967011395247848 2764123 C1=CC=C(C=C1)C(C#N)C2=NC(=CC=C2)Cl 1 3.389 2 0 -0.897362232466293 2764119 C1CN(CC2=CN=C(N=C21)N)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.682 5 2 0 -1.89458386842988 2764068 CC(=O)NC1=CC(=CC=C1)OCC2=CN=C(S2)Cl 1 1.927 2 2 0 -3.96166192984147 2764064 CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)OC 1 1.454 3 2 0 -4.64881186803861 2764062 C1C(=O)N(C(=S)N1)C(CO)C2=CC=CC=C2 1 1.212 2 2 0 -9.49153320124152 2764061 C1=CC=C(C=C1)C(CO)NC(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 1.835 2 3 0 -11.4887847246661 2764054 CC1=CC=C(C=C1)OC2=NC=C(C=C2)C=O 1 3.024 1 2 -0.92586461354181 2764046 C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3Cl)CC(=O)O 1 4.777 1 2 3.90883357184018 2764043 C1=CC=C(C=C1)C2=CN=C(C(=C2)C#N)Cl 1 2.95 2 0 2.48156015828865 2764040 C1=CC(=CC=C1C=O)OCC2=C(SN=N2)Cl 1 2.375 2 2 -4.77013820480135 2764034 CCOC(=O)C1=NOC(=C1C(=O)NC2=NC(=CC(=N2)C)C)C 1 1.154 4 4 0 -16.5214949757267 2764008 C1=CC(=CN=C1)C(=C(C#N)C#N)N 1 -0.332 4 0 0 -4.94024933475858 2763968 CC1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.898 3 2 -0.801408067358526 2763956 COC(=O)C1=CC=C(C=C1)N2CCS(=O)(=O)CC2 1 1.264 1 4 0 -5.39495057781204 2763947 C1=CC=C(C(=C1)C=O)OC2=CC=CC=C2C#N 1 3.028 1 2 -1.06427741782373 2763938 CC1=CC(=C(C(=C1)C)CN2C(=C(CCC2=O)C#N)C)C 1 3.3 2 1 -8.32703585994468 2763935 CCOC(=O)C1=C(N=C2CCCC(=O)C2=C1C3=CC=CC=C3)C 1 3.213 1 3 -7.49937192324182 2763926 COCCOC1=C(C=C(C(=C1)N)Cl)Cl 1 2.264 1 2 -0.391697214261225 2763924 C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=C(C=C3)Cl)CC(=O)O 1 4.777 1 2 6.17724182904397 2763923 C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)CC(=O)O 1 4.113 1 2 2.69032062138124 2763922 CN1C(=C(C(=N1)C2=CC=CC=C2)CO)SC3=CC=CC=C3 1 4.065 2 1 5.45755536661077 2763915 C1CN(CCC1C(=O)O)C2=NN=C(C=C2)Cl 1 1.268 3 2 0 -2.47297856036124 2763914 COC(=O)C1CCN(CC1)C2=NN=C(C=C2)Cl 1 1.494 3 2 0 -1.78073151529401 2763905 CN1C(=CN=C1SCCOC2=CC=C(C=C2)OC)CO 1 2.095 2 3 -4.76448682053791 2763902 COC(=O)C1=CC=CC=C1C(=O)N2CC(CO2)O 1 0.253 1 5 0 -8.10865451890716 2763900 COC1=C(C=C(C=C1)CCN2C(=CNC2=S)CO)OC 1 1.912 2 3 0 -5.21623449641959 2763899 CN1C(=CN=C1SCC(=O)C2=CC=C(C=C2)Cl)CO 1 2.4 2 2 -4.89000049397307 2763897 CN1C(=CN=C1SCC2=C(C=CC=C2Cl)Cl)CO 1 3.392 2 1 -7.01282460018467 2763895 CC1=CC=C(C=C1)CNC(=O)CSCC(=O)O 1 1.406 1 3 0 -14.175400158594 2763893 C1=CC(=CC=C1CNC(=O)CSCC(=O)O)Cl 1 1.584 1 3 0 -12.3534014680072 2763889 CCOC(=O)C1=C2N=C(C=C(N2C=C1C3=CC=CC=C3)C)C 1 2.858 2 2 -4.96544933698387 2763878 C1=CC(=CC=C1N2C=C(N=N2)CO)Cl 1 1.864 3 1 0 3.87558370993125 2763817 C1CS(=O)(=O)CCN1C2=CC=C(C=C2)C(=O)O 1 1.038 1 4 0 -4.27510152918005 2763815 C1C=CCC(C1C(=O)NNC(=O)C2=CC=C(C=C2)Cl)C(=O)O 1 1.738 2 4 0 -5.69562039757167 2763805 CC1=CC(=CC=C1)OC2=C(C3=CC=CC=C3N2C)C=O 1 4.259 1 2 3.91061685351741 2763803 CN1C2=CC=CC=C2C(=C1OC3=CC=CC=C3)C=O 1 3.773 1 2 1.95328189040402 2763802 CN1C2=CC=CC=C2C(=C1OC3=CC=C(C=C3)OC)C=O 1 3.757 1 3 2.05168611904153 2763801 CN1C2=CC=CC=C2C(=C1OC3=CC=C(C=C3)Cl)C=O 1 4.437 1 2 4.43192758997205 2763799 CN1C2=CC=CC=C2C(=C1SC3=CC=CC=C3Cl)C=O 1 4.996 1 1 0.176073416202088 2763797 CC1=CC=C(C=C1)OC2=C(C3=CC=CC=C3N2C)C=O 1 4.259 1 2 2.60992889938523 2763796 CC1=CC=C(C=C1)SC2=C(C3=CC=CC=C3N2C)C=O 1 4.817 1 1 3.47636144177712 2763795 CN1C2=CC=CC=C2C(=C1SC3=CC=C(C=C3)Cl)C=O 1 4.996 1 1 5.29836013236394 2763794 CN1C2=CC=CC=C2C(=C1SC3=CC=C(C=C3)Br)C=O 1 5.08 1 1 3.8417003872625 2763791 C1=CN2C(=CN=C2C(=C1)N)C3=CC(=C(C=C3)Cl)Cl 1 3.099 3 0 1.64399687165432 2763790 CC1=CC=C(C=C1)CN2C(=C(CCC2=O)C#N)C 1 2.327 2 1 -7.90290857497795 2763789 C1=CN2C(=CN=C2C(=C1)N)C3=CC=C(C=C3)Cl 1 2.435 3 0 2.6224039539033 2763788 C1=CC=C(C=C1)C2=NC=C(S2)C3=CC=NN3 1 2.755 3 0 1.65939175253791 2763780 CN1C(=C(C(=N1)CSC2=CC=CC=C2)C=O)Cl 1 3.038 2 1 3.20013912606592 2763770 C1=CN=C(N=C1)OC2=C(C=C(C=C2)N)Cl 1 2.05 3 1 1.89623167291688 2763767 CC1=CC=C(C=C1)OC2=C(C(=NN2C)C3=CC=CC=C3)CO 1 3.993 2 2 5.80731951158323 2763766 CC1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)CO 1 4.551 2 1 6.67375205397513 2763750 CC1=C(C(=NO1)CO)C(=O)NC2=NC=CS2 1 -0.178 3 3 0 -10.8118991209204 2763749 CCOC(=O)C1=NOC(=C1C(=O)NC2=NC=CS2)C 1 0.844 3 4 0 -15.3116745165146 2763746 CC1=C(SC(=N1)C2=CC=CS2)C(=O)O 1 2.367 1 2 -6.45654450450317 2763735 COC(=O)C1=NN(C(=O)C=C1OC2=CC=CC=C2)C3=CC=CC=C3 1 2.822 2 4 -4.40791143980085 2763734 CC1=C(C=C(C(=O)O1)NC(=O)C2=CC=CC=C2)C(=O)OC 1 1.141 1 5 0 -10.8533216749786 2763709 COC(=O)C1CCN(CC1)S(=O)(=O)C 1 -0.303 1 4 0 -13.6952601015268 2763690 CC1=C(C(=O)N(N1)C2=CC=CC=C2)CCO 1 0.689 2 2 0 -3.15023259396768 2763671 CCOC(=O)C1=C2C=CC=CN2C=C1C3=CC=C(C=C3)C 1 3.734 1 2 -2.1906539583473 2763662 CC1=CC(=CC(=C1)OC2=CC=CC=C2C=NO)C 1 4.189 1 2 6.38088167243229 2763658 C1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C(=O)NN 1 2.443 3 1 -1.95760006523785 2763657 C1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C(=O)O 1 3.563 1 2 -0.898708791824834 2763641 COC1=C(C=C(C=C1)CCN2C=C(C(=O)NC2=O)C#N)OC 1 0.905 3 4 0 -10.8100544799183 2763634 C1=CC(=CC=C1CC(=O)C2=CNC(=C2)C(=O)N)Cl 1 2.32 2 2 0.681776365113615 2763629 CCOC(=O)C1=CSC(=N1)C2=CC(=C(C=C2)OC)OC 1 2.81 1 4 -6.49069481831973 2763625 CC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)O)C 1 2.9 1 2 -0.293592187460459 2763623 CCOC(=O)C1=C(N=C(S1)C2=CC=CC=N2)C 1 2.266 2 2 -5.45893957906189 2763621 C1CN(CCN1C2=CC=CC=C2)C(=N)CC#N 1 1.323 4 0 0 -3.33567860150009 2763614 C1=CN(N=C1)C2=NC=C(C=C2)C(=O)O 1 1.074 3 2 0 -0.789119235899217 2763612 CN1C=C(C=C1C(=O)C(Cl)(Cl)Cl)C(=O)C2=CC=CC=C2C(=O)O 1 3.873 1 4 -5.0744728367888 2763611 C1=CC=C2C(=C1)C(=CN2)C3=NN=C(C=C3)Cl 1 3.325 3 0 -0.416475789095442 2763609 CCOC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.725 1 5 -9.67735532392958 2763608 C1=CC=C(C=C1)CC(=O)C2=CNC(=C2)C(=O)C(Cl)(Cl)Cl 1 4.072 1 2 -2.77907511584034 2763606 COC(=O)CSC1=NC2=CC=CC=C2N=C1 1 2.082 2 2 -7.11121632309588 2763605 C1=CC=C2C(=C1)NC(=S)C=N2 1 2.126 2 0 -4.45350642008734 2763572 CC1=C(C=CC=C1N)N2C=CC=C2 1 2.445 2 0 -0.31562395775369 2763562 C1=CN=C(N=C1)OC2=CC=C(C=C2)C=O 1 1.891 2 2 0 -3.62847123226764 2763522 CCOC(=O)CC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)OC 1 2.115 2 4 -8.42236962317237 2763518 CCOC1=CN=C(O1)C2=CC=C(C=C2)OC 1 2.092 1 3 4.16494306613777 2763517 CCOC(=O)CNC(=O)C1=CC=C(C=C1)C 1 1.58 1 3 0 -11.6792360626832 2763511 CC1=CC=C(C=C1)SCC2=NN(C(=C2C=O)Cl)C 1 3.524 2 1 4.12330435138203 2763499 COC1=CN=C(NC1=O)C2=CC=CC=N2 1 -0.117 3 2 0 -2.55973732159643 2763486 CC1=C(C=NN1)C2=CC(=C(C=C2)OC)OC 1 1.905 2 2 0 -0.379380374860955 2763485 C1=CC=C(C=C1)C(=O)NCC(=O)NCCO 1 -0.442 2 3 0 -14.1347710958254 2763483 C1CC2=CN=C(N=C2C3=CC=CC=C31)N 1 2.373 3 0 4.39582030953856 2763482 C1CCN(CC1)N2C=C(C(=O)NC2=O)C#N 1 -0.336 4 2 0 -8.76324701201852 2763478 CN1C=C(C=C1C(=O)OC)C(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.009 1 3 1.18846057188352 2763477 C1=CC(=C(C=C1Cl)Cl)N2C(=C(N=N2)C(=O)O)CC(=O)O 1 2.932 3 4 0 -9.30594922653157 2763471 C1=CC=C(C=C1)C2=C(N3C(=NC=N3)N=C2)N 1 1.551 5 0 0 -5.3273467077723 2763440 CC1=CC(=O)N2C=C(N=C2N1)C3=CC=CC=C3 1 1.88 3 1 0 -4.4151904200084 2763434 CCOC(=O)C1=C2C=CC=CN2C=C1C3=CC=C(C=C3)OC 1 3.231 1 3 -2.53257721885639 2763430 COC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2 1 4.049 0 2 -2.63964153025865 2763423 CCOC(=O)CN1C(=O)C(=O)N(C1=O)CC2=C(C=CC=C2Cl)Cl 1 2.298 2 5 0 -9.78310749044613 2763377 CCOC(=O)CN1CCS(=O)(=O)CC1 1 -0.208 1 4 0 -9.2714016368091 2763352 COC(=O)C1=C(SC(=N1)N)C2=CC=C(C=C2)Cl 1 2.838 2 2 3.4717639951466 2763336 C1=CC(=CC(=C1)OC2=NC=CC=N2)C=O 1 1.891 2 2 0 -3.381573420215 2762732 CN1CCN(CC1)CC(=O)O 1 -3.276 2 2 0 -2.84744166137 2761023 C1CNCC=C1C2=CNC3=CC=CC=C32 1 2.163 2 0 -3.49220336730035 2760654 CC1=CC(=CC=C1)N2C=CNC2=S 1 2.573 2 0 -1.66142132039895 2760623 C1CN(CCN1)CC2=CC=CS2.Cl Cl- 1 1.065 2 0 0 -3.74367802873224 2760611 C1=CSC2=C1NC=NC2=O 1 0.703 2 1 0 -5.25151547874922 2760546 C1=CN(C=C1)C2=CC(=CC=C2)N 1 1.959 2 0 0 2.45481733666849 2760408 CCCNC(=S)NC1=CC=CC=C1 1 3.384 2 0 -9.98713254854901 2760379 CC(C1=CC=CC=C1)NCC2=CN=CC=C2 1 2.178 2 0 0.967003360143184 2760335 C1=CC=C(C=C1)CCNC(=S)NC2=CC=CC=C2 1 4.417 2 0 -8.70862151349489 2760239 C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])N 1 1.6 3 2 0 0.456680699638921 2760140 C1COCCN1CCC(=O)O.Cl Cl- 1 -3.298 1 3 0 -6.84149270263786 2760034 CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N 1 1.097 4 2 0 3.0816175814845 2759731 COC1=CC=CC=C1C(=S)N 1 1.683 1 1 0 -3.51099020570276 2759351 CCOC(=O)C1=CN2C=CC=NC2=N1 1 0.818 3 2 0 -6.38495044170057 2759335 CC(CNC(=S)NC1=CC=CC=C1)O 1 2.35 2 1 -6.11462201037029 2759330 C1=CC(=CC(=C1)O)NC(=S)N 1 1.838 2 1 0 0.721042381187119 2759058 C1=CC=C2C(=C1)N=C(N2CCOC3=CC=C(C=C3)F)N 1 3.184 3 1 2.33302690698119 2759006 COC1=C(C=C(C=C1)C2=CSC(=N2)N)F 1 2.216 2 1 6.90081685541967 2758894 CCC1=CC=CC=C1NC(=S)NN 1 2.685 3 0 -4.56577475358802 2758835 C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)O 1 1.2 0 5 0 -8.20414931179591 2758833 C1COC2=C(O1)C=CC(=C2)C(=O)O 1 1.245 0 4 0 -5.21141998446559 2758678 C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=CC=C4C(=O)O 1 1.761 1 4 0 -5.44557016905453 2758649 CC1=CC(=NN1CC(C)C(=O)O)C 1 1.1 2 2 0 -10.4042434009905 2758514 CN(C)C1=CC=C(C=C1)NC(=S)N 1 2.242 3 0 -4.47200683190717 2758389 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCNCC2 1 0.335 2 4 0 -14.418886570733 2758374 C1COC2=C1C=C(C=C2)C3=CSC(=N3)N 1 2.085 2 1 6.71530972076453 2757790 C1=CC(=CC(=C1)Cl)N2C=CNC2=S 1 2.751 2 0 0.401116418524584 2757656 COC1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)Cl 1 4.008 2 1 5.15561644288499 2757621 CC(C)OC1=C(C=C(C=C1)CCN)Cl.Cl Cl- 1 2.631 1 1 -1.19506010076901 2757241 CCCCOC1=C(C=C(C=C1)CCN)Cl.Cl Cl- 1 3.233 1 1 -0.876363369474886 2757165 C1=CC(=CC=C1C2=CC3=C(S2)C(=O)N=CN3)Br 1 3.262 2 1 -1.62440365012377 2756797 CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 1 3.575 2 6 0 -9.77800832642883 2756678 C1OC2=C(O1)C=C(C=C2)C3=CC(=CC=C3)C(=O)O 1 2.746 0 4 1.7469815026373 2756602 C1C=CCC(C1C(=O)C2=CC=CC=C2)C(=O)O 1 2.436 0 3 -2.1555301743541 2756596 CC(C(=O)O)N1C2=CC=CC=C2N=N1 1 1.606 3 2 0 -7.19008547325386 2756587 COC(=O)CC(=O)C1=CC2=C(C=C1)OCO2 1 1.374 0 5 0 -5.5869362545132 2756583 C1C(NC(S1)C2=CC3=C(C=C2)OCO3)C(=O)O 1 -1.32 1 4 0 -14.7236184575706 2756426 CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCN.Cl Cl- 1 0.994 2 3 0 -4.76694951334659 2756087 C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCCC(=O)O 1 3.924 1 4 -14.7398764963486 2755820 C1=CC=C(C=C1)CCCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 3.643 3 5 0 -10.8810120939042 2755073 COCOC1=CC(=C(C=C1)C=O)O 1 1.182 0 4 0 1.46057405689828 2754711 C1=CC=C2C(=C1)NC(=N2)NC3=CC=C(C=C3)N 1 2.053 4 0 4.40696141627384 2754632 CCCCNC1=CC(=O)OC2=CC=CC=C21 1 2.463 1 2 -4.58424309856662 2754576 COC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2Cl)OC 1 3.865 0 3 -6.05743201947376 2754574 COC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)OC)OC 1 3.184 0 4 -5.9109448063584 2754572 CC1(CC(=O)C(=NNC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C1)C 1 2.366 3 4 0 -10.4253255079558 2754564 C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O)Cl 1 2.733 2 4 0.971468757656628 2754541 CC1(OC(=O)C(=NNC2=CC=C(C=C2)O)C(=O)O1)C 1 1.434 2 5 0 -3.50742037015966 2754503 C1=CC=[N+](C=C1)CC2=C(C=C(C=C2)Br)[N+](=O)[O-].[Br-] Br- 1 3.66 2 2 1.25762458908198 2754497 COC1=CC=C(C=C1)C(=NO)CC2(C3=CC=CC=C3NC2=O)O 1 1.685 2 4 0 -5.40043283200949 2754496 C1=CC=C(C=C1)C(=NO)CC2(C3=CC=CC=C3NC2=O)O 1 1.701 2 3 0 -5.9515271873871 2754492 CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)N)C 1 1.073 4 3 0 -3.02342579838174 2754042 CC1=CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC=CC=C3)C(=O)N1CC4=CC=CC=C4 1 2.652 2 4 -15.1744915721943 2753222 CCOC1=CC=CC=C1NC(=O)NCC2=CC=CC=C2 1 2.862 2 2 -10.9284796437934 2752699 COC1=CC=C(C=C1)C2CC3=CC=CC=C3C(=O)O2 1 3.355 0 3 0.515393176302091 2752468 CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)Br)CCC(=NO)C 1 4.099 1 3 7.59649928120161 2752369 COC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)O)OC 1 2.779 1 3 -10.4011785229857 2751705 CC1=C(C(NC(=O)N1)C2=CC=CC=C2)[N+](=O)[O-] 1 0.991 3 3 0 -19.7573364483525 2751700 CC1=C(C(=CC=C1)C)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 2.465 1 3 -5.61540421257461 2751652 CC(=NNC1=CC=CC=C1)C2=CC3=CC=CC=C3OC2=O 1 3.449 2 2 -6.7600496498364 2751443 CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)NC(=O)C)CCC(=O)C 1 2.404 1 4 -4.47596109721785 2751438 CC1=CC=C(O1)C(C2=CC=C(O2)C)C3=C(C(=CC(=C3)C)[N+](=O)[O-])O 1 4.097 1 5 1.04276778709917 2751436 CC1=CC=C(O1)C(C2=C(C(=CC=C2)[N+](=O)[O-])O)C3=CC=C(O3)C 1 3.611 1 5 1.21579569858682 2751330 C1CCC(=O)C(C1)CCC(=O)C2=CC=CC=C2 1 3.185 0 2 -6.63386072277881 2748759 COCC1=C(N=NN1C2=CC=CC=C2)C(=O)OC 1 1.755 3 3 0 -10.3111446498668 2748723 CC(=O)C1=CC=CC=C1OCCOCCOCCOC2=CC=CC=C2C(=O)C 1 2.663 0 6 -7.56631032050912 2748309 CCCCCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)C 1 2.618 2 5 0 -32.8149199187026 2748306 CCCCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)C 1 2.161 2 5 0 -33.5089893325694 2748305 CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OC(C)C 1 1.559 2 5 0 -33.5210968533494 2748303 CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OC 1 0.833 2 5 0 -31.4198281672485 2748294 CC1=C(C(NC(=O)N1)C2=CC=CO2)C(=O)OC(C)C 1 1.079 2 4 0 -32.2937351013445 2748280 CCOC(=O)C1=C(NC(=S)NC1C2=CC=CO2)C 1 1.99 2 3 0 -28.227904497677 2747924 CC(CNC(=O)C1CCCCC1C(=O)O)C2=CC=CC=C2 1 2.908 1 3 -8.16768881711926 2747813 COC1=CC=CC=C1C2=NN=C3N2NC(S3)C4=CC(=C(C=C4)O)OC 1 3.243 4 3 0 -1.87766514905083 2747632 CCCCCCCCSC1=NN=C(S1)N=CN(C)C 1 3.402 4 0 -5.93273326012599 2747554 C1=CC(=CC(=C1)Cl)NC(=C(C#N)C#N)N 1 1.801 4 0 0 -0.629797921160891 2747545 CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2Cl 1 2.805 1 3 -10.7436312808206 2747542 CC(C)NC1=NC2=C(S1)N=CC=C2 1 1.566 3 0 0 -2.65003520538094 2747541 CCCCNC1=NC2=C(S1)N=CC=C2 1 2.169 3 0 -1.92380896558601 2747540 CCNC1=NC2=C(S1)N=CC=C2 1 1.189 3 0 0 -1.37768510060973 2747539 CNC1=NC2=C(S1)N=CC=C2 1 0.84 3 0 0 -1.66205893944614 2747538 C1=CC(=C(N=C1)Cl)C(=O)NC2=C(N=CC=C2)Cl 1 2.06 3 1 -3.4408490633663 2747534 CC(C)NC(=O)NC1=NNC(=N1)NC2=CC=C(C=C2)Cl 1 2.072 6 1 0 -6.813577383119 2747530 C1=CC=C(C=C1)OC(=NC2=CC(=CC=C2)Cl)NC#N 1 4.027 3 1 1.82696510264713 2747529 C1=CC=C(C=C1)OC(=NC2=CC=C(C=C2)Cl)NC#N 1 4.027 3 1 1.55719694470487 2747503 CC(C)N1C2=C(C=C(C=C2)C(F)(F)F)NC1=S 1 4.558 2 0 2.15379713072919 2747488 C1CN(CCN(C1)C(=O)NC2=CC3=CC=CC=C3C=C2)CCOC4=CC=CC=C4 1 3.712 3 2 0.560664066612283 2747482 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC=CC=C3 1 3.022 2 3 -11.4935126333797 2747480 C1CN(CCN1CCOC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl 1 3.497 2 2 0.697687439271594 2747478 C1CN(CCN1CCOC2=CC=CC=C2)C(=O)C3=CC=CO3 1 2.228 2 3 -1.15800276581218 2747477 C1CN(CCN1CCOC2=CC=CC=C2)C(=O)C3=C(C=CC=C3F)F 1 3.244 2 2 -3.17332476738701 2747452 CC1=C(C(=CC=C1)Cl)NC(=S)NCCC2=CC=CC=N2 1 4.559 3 0 -8.63649685676832 2747440 CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCN(CC3)C 1 3.379 3 2 2.17699944202543 2747429 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CC3=CC=CC=C3 1 3.164 2 4 -10.8456972950315 2747402 COC1=NC=C(C=C1)NC(=O)C2=CC=CS2 1 1.94 2 2 0 -7.37391892319814 2747401 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=CN=C(C=C3)OC 1 3.862 3 3 -15.3126880576772 2747397 CC1=CC=C(C=C1)NC(=O)C2=NSC(=C2Cl)Cl 1 3.665 2 1 -3.79802955253127 2747396 C1=CC(=C(C=C1NC(=O)C2=NSC(=C2Cl)Cl)Cl)F 1 4.048 2 1 -2.71569566259943 2747333 CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)C(F)(F)F 1 2.873 3 3 -10.0502846097288 2747319 CC1=CC(=NN1C(C)(C)C)C(=O)NC2=CC=CC=C2 1 2.769 3 1 -5.14889912202969 2745715 CC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=NC(=NC=C3)SC 1 4.271 3 1 3.17428388290233 2745711 CC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=NC(=NC=C3)SCC(=O)NC4=CC=C(C=C4)C(C)C 1 6.102 4 2 -5.22748875347391 2745707 CC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=NC(=NC=C3)SCC(=O)NC4=CC(=CC(=C4)Cl)Cl 1 6.237 4 2 -5.91220265598579 2745698 COC(C1=C(C=C2C(=C(SC2=N1)C(=O)C3=CC=CC=C3)N)C(=O)OC)OC 1 2.851 2 5 0 -10.389044715802 2745695 COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)C=NNC(=S)N 1 2.837 5 2 0 -4.63328732245447 2745687 CC(C)(C)NC(=S)NN=CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OC 1 3.947 5 2 0 -13.4411048050246 2745685 COC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)F)F)C=NNC(=S)N 1 2.584 5 2 0 -7.61830253015586 2745684 CNC(=S)NN=CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OC 1 3.015 5 2 0 -10.7379809614251 2745681 CC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=CC=NC(=S)N3 1 3.745 3 1 0.694276911498223 2745677 COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C=NNC(=S)NC3=CC=C(C=C3)Cl 1 5.123 5 2 0 -6.98059501527109 2745676 COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C=NNC(=S)NC3=CC=CC=C3 1 4.459 5 2 0 -9.2522793062795 2745665 COC(C1=C(C=NN1C2=CC=CC=C2)C(=O)OC)OC 1 2.081 2 4 -5.4020029808876 2745632 CC1=C(C(=NO1)C2=C(C=C(C=C2)Cl)Cl)C3=CSC(=N3)NN=CC4=CC=CC=C4Cl 1 6.295 4 1 8.29943792581747 2745631 CC1=C(C(=NO1)C2=C(C=C(C=C2)Cl)Cl)C3=CSC(=N3)COC4=CC=CC=C4 1 5.868 2 2 8.36595532685531 2745630 CC1=C(C(=NO1)C2=C(C=C(C=C2)Cl)Cl)C3=CSC(=N3)NN=CC4=CC=CC=C4 1 5.63 4 1 7.33199829754194 2745626 CCOC(=O)C1=NNC(=C1)C2=CC=C(S2)Cl 1 3.128 2 2 1.03925029786698 2745610 CC1=C(C(=NO1)C2=CC=CC=C2)C3=CSC(=N3)NN=CC4=CC=CC=C4Cl 1 4.966 4 1 5.80165233777705 2745608 CC1=C(C(=NO1)C2=CC=CC=C2)C3=CSC(=N3)NN=CC4=CC=CC=C4 1 4.302 4 1 3.74653724526213 2745601 CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=NN3S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.652 3 3 -4.24885538631543 2745600 CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC=N2)C3=C(ON=C3C4=CC=CC=C4)C 1 4.473 3 3 -6.25915067123606 2745598 CC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=CC=NN3S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F 1 5.594 3 3 -0.775888081847532 2745595 CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=NN3C(=O)NC(C)C 1 3.342 4 2 -9.73774531940332 2745589 CC1=C(C(=NO1)C2=C(C=C(C=C2)Cl)Cl)C(=O)C 1 3.445 1 2 -3.20988875114189 2745588 CC1=C(C(=NO1)C2=CC=CC=C2)C3=CSC(=N3)COC4=CC=CC=C4 1 4.539 2 2 4.7804942745755 2745583 CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC=N2)C3=C(ON=C3C4=CC=C(C=C4)Cl)C 1 5.138 3 3 -3.96263556433404 2745582 CC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=CC=NN3S(=O)(=O)C4=CC=C(C=C4)Cl 1 5.316 3 3 -4.60065791221779 2745578 COC(=O)C1=NNC(=C1)C2=CC=CS2 1 2.321 2 2 -3.44930968551916 2745569 CC1=C(N2C=CC=CC2=N1)C3=CC=NN3S(=O)(=O)C4=CC=C(C=C4)F 1 3.098 4 2 -6.65779902797613 2745568 CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=NN3 1 2.63 3 1 -2.61112346916313 2745567 CC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=CC=NN3 1 3.294 3 1 -0.314608362261114 2745540 CCOC(=O)C1=CN=C(N=C1OC2=CC=CC=C2)C(F)(F)F 1 3.398 2 3 -2.36853845855997 2745493 CC1=C(N2C=CC=CC2=N1)C3=NC(=NC=C3)SCC(=O)NC4=CC=CC=C4 1 3.149 5 1 -9.91617972639331 2745491 CC1=CC=C(C=C1)CSC2=NC=CC(=N2)C3=C(N=C4N3C=CC=C4)C 1 4.582 4 0 -5.20821231156027 2745488 CC1=C(N2C=CC=CC2=N1)C3=NC(=NC=C3)SCC4=CC=C(C=C4)Cl 1 4.76 4 0 -3.19791702663965 2745472 CC1=NN(C(=O)C2=C1SC(=N2)C)C3=CC=C(C=C3)OC 1 2.036 3 2 -1.42757578646422 2745468 C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NNC(=O)C2=CC3=C(S2)C=C(C=N3)C(F)(F)F 1 4.276 3 3 -1.24227408791408 2745467 C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)NNC(=O)C2=CC3=C(S2)C=C(C=N3)C(F)(F)F 1 3.89 3 3 -5.36803264118226 2745462 CC1=CC(=NO1)C=NNS(=O)(=O)C2=CC(=C(C=C2)F)Cl 1 2.284 3 3 -3.17958028971954 2745456 CC1=C(N2C=CC=CC2=N1)C3=CC=NC(=S)N3 1 1.986 4 0 0 -3.07895337655109 2745454 CCOC(=O)C1=C(SC(=N1)C)C2=CC=NN2S(=O)(=O)C3=CC(=CC=C3)Cl 1 3.745 3 4 0 -10.9327375193583 2745451 CCOC(=O)C1=C(SC(=N1)C)C2=CC=NN2S(=O)(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.41 3 4 0 -8.95885388291111 2745443 CCOC(=O)C1=C(SC(=N1)C)C2=CC=NN2S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 4.023 3 4 0 -12.1627663472509 2745439 CCOC(=O)C1=C(SC(=N1)C)C2=CC=NN2S(=O)(=O)C3=CC=C(C=C3)C 1 3.567 3 4 0 -12.2531173229344 2745437 CC1=CC(=NO1)C2=NC(=C(S2)C(=O)NNS(=O)(=O)C3=C(C=C(C=C3)Cl)Cl)C 1 2.886 4 4 0 -11.0805762570196 2745436 CC1=CC(=NO1)C2=NC(=C(S2)C(=O)NNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C 1 2.499 4 4 0 -11.3457231766734 2745433 CC1=NN(C(=O)C2=C1SC(=N2)C)C3=CC=CC(=C3)C(F)(F)F 1 2.994 3 1 3.19702394103703 2745432 CC1=NC(=CS1)C2=CC(=NO2)C3=NC(=NO3)C4=CC=C(C=C4)C(C)(C)C 1 4.382 4 2 8.85907595355268 2745431 CC1=NC(=CS1)C2=CC(=NO2)C3=NC(=NO3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F 1 4.867 4 2 6.27043653618277 2745430 CC1=NC(=CS1)C2=CC(=NO2)C3=NC(=NO3)C4=CC=C(C=C4)C(F)(F)F 1 3.924 4 2 9.87670869177367 2745429 CC1=NC(=CS1)C2=CC(=NO2)C3=NC(=NO3)C4=CC=C(C=C4)Cl 1 3.646 4 2 8.10294049502819 2745427 CC1=CC(=NO1)C2=NC(=C(S2)C(=O)NNC(=O)NC(C)C)C 1 0.912 5 3 0 -17.4522174215831 2745426 CC1=CC(=NO1)C2=NC(=C(S2)C(=O)NNS(=O)(=O)C3=CC=CC=C3)C 1 1.557 4 4 0 -15.0323589334505 2745422 CC1=NN(C(=O)C2=C1SC(=N2)C)C3=C(C=C(C=C3)F)F 1 2.463 3 1 9.47272048136599e-003 2745413 CC1=NN(C(=O)C2=C1SC(=N2)C)C3=CC(=C(C=C3)F)Cl 1 2.922 3 1 -0.292608356140433 2745404 CC1=CC(=NO1)C2=NC(=C(S2)C(=O)NN)C 1 0.322 4 2 0 -8.31668609131136 2745397 CC1=CC=C(C=C1)N2C(=O)C3=C(C(=N2)C)ON=C3C 1 2.13 3 2 -2.91693438525106 2745394 CC1=NOC2=C1C(=O)N(N=C2C)C3=CC=C(C=C3)OC 1 1.628 3 3 0 -3.1416040000614 2745393 CC1=NOC2=C1C(=O)N(N=C2C)C3=CC=C(C=C3)Cl 1 2.308 3 2 -0.906639100330442 2745366 C1=CC=C(C=C1)NC(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.201 3 1 0.46006557870323 2745356 CCOC(=O)C1=C(SC(=N1)C2=CC=CC=C2)C(=O)C 1 2.874 1 3 -2.77237752423157 2745353 CC1=NC(=NC=C1SC2=CC=CC=C2)N 1 2.226 3 0 1.73616242721377 2745352 CC1=CC=CC=C1CSC2=CN=C(N=C2C)C 1 2.901 2 0 -6.42350951138021 2745335 CC1=NC(=CS1)C2=NC(=CC(=N2)OC)COC 1 1.357 3 2 0 -2.83485748799167 2745334 CC1=CC(=NC(=N1)C2=CSC(=N2)C)OC 1 1.621 3 1 0 -2.6734417403101 2745332 CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)COC3=CC=C(C=C3)Cl 1 4.035 2 4 0.202216013612573 2745330 CC1=CC=C(C=C1)C2=CSC(=N2)C3=NOC(=C3)C 1 3.671 2 1 0.63745474372202 2745325 CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)C3=CC=C(C=C3)C(F)(F)F 1 4.478 2 3 4.96482725836751 2745323 CCOC(=O)C1=NOC(=C1)C(=NOC(=O)C2=CC=C(C=C2)C(C)(C)C)C 1 3.903 2 5 0 -1.9526936587563 2745320 CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)NN=CC3=CC=CC=C3Cl 1 3.798 4 3 0 -1.28252003941239 2745317 CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)NC3=CC=CC=C3Cl 1 3.729 3 3 2.22121506453483 2745315 C1=CC(=CC=C1C2=CSC(=N2)C3=CC=NO3)Cl 1 3.567 2 1 6.11448674910385 2745313 CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)NC3=C(C=C(C=C3C)C)C 1 4.523 3 3 -0.711187480331824 2745312 CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)COC3=CC=CC=C3Cl 1 4.035 2 4 -2.23507329660832 2745311 CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)COC3=CC=CC=C3 1 3.37 2 4 -2.10801668894305 2745307 CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)C3=CC=C(C=C3)C(C)(C)C 1 4.936 2 3 3.94719452014652 2745306 CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)C3=CC(=CC=C3)Cl 1 4.2 2 3 3.58853740547618 2745301 CCOC(=O)C1=NOC(=C1)C(=NOC(=O)C2=CC=C(C=C2)Cl)C 1 3.167 2 5 0 -2.70882911728079 2745290 CC1=CC=C(C=C1)OC2=C(NC(=NC2=O)NC(=O)C)C 1 1.297 3 3 0 -9.3125981039399 2745289 CC1=C(C(=O)N=C(N1)NC(=O)C)OC2=CC=CC(=C2)C(F)(F)F 1 1.753 3 3 0 -5.85128739018392 2745286 CC1=C(C(=O)N=C(N1)N)OC2=CC=CC(=C2)C(F)(F)F 1 1.763 3 2 0 -3.28226428006637 2745275 C1=CC(=CC(=C1)NN=C(C(=O)C2=CC=CS2)C(=O)C(F)(F)F)C(F)(F)F 1 5.165 2 2 1.1713271676334 2745267 CC1=C(C(=O)N=C(N1)SCC(=O)C2=CC(=C(C=C2)F)F)OC3=CC=C(C=C3)F 1 4.104 2 3 -7.74249612491492 2745263 CC1=CC=C(C=C1)CSC2=CN=C(N=C2C)C 1 2.901 2 0 -3.75060415244657 2745262 C1=CC(=CC=C1N2C3=C(C=C(C=N3)C(F)(F)F)NC2=S)Cl 1 5.479 3 0 3.331395561695 2745261 CC1=C(C(=NO1)C(=O)NN)C2=CSC(=N2)COC3=CC=CC=C3 1 1.531 4 3 0 -2.52826690312282 2745260 CC1=C(C(=NO1)C(=O)NN)C2=CSC(=N2)COC3=CC=C(C=C3)Cl 1 2.195 4 3 0 -0.218034200567198 2745245 CCN1C(=CC(=N1)C)C(=O)N2C(=C(C(=N2)C)SC3=NC=CC=N3)C 1 2.789 6 1 0 -9.10447000675653 2745217 COC(C1=NC(=C(C=C1)C#N)SCC2=CC=CC=C2)OC 1 3.529 2 2 -9.92995877573868 2745214 CC1=CC=C(C=C1)CSC2=C(C=CC(=N2)C(OC)OC)C#N 1 4.015 2 2 -9.11514387095909 2745205 CC(C)NC(=O)C1=NOC(=C1)C2=CC=CS2 1 2.41 2 2 -13.4293877322145 2745204 C1CCN(CC1)C(=O)C2=NOC(=C2)C3=CC=CS3 1 2.807 2 2 -6.67257925133782 2745203 C1=CSC(=C1)C2=CC(=NO2)C(=O)NC3=CC=C(C=C3)Cl 1 3.924 2 2 -4.42582207440192 2745202 CC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CS3 1 3.746 2 2 -6.24782076498874 2745198 CC1=C2C(=NN(C(=O)C2=NO1)C3=CC=CC=C3C(F)(F)F)C 1 2.586 3 2 -2.73966389685457 2745197 CC1=CC=C(C=C1)N2C(=O)C3=NOC(=C3C(=N2)C)C 1 2.13 3 2 -4.01294465951933 2745194 CC1=C2C(=NN(C(=O)C2=NO1)C3=C(C=C(C=C3)F)F)C 1 2.055 3 2 -2.80056576738408 2745188 CC1=C2C(=NN(C(=O)C2=NO1)C3=CC=CC(=C3)C(F)(F)F)C 1 2.586 3 2 0.386985453171585 2745170 CCOC(=O)C1=C(N=C(C(=C1)C#N)SC)C 1 2.126 2 2 -10.1086570100406 2745169 CCOC(=O)C1=C(N=C(C(=C1)C#N)SC)C2=CC=CC=C2 1 3.79 2 2 -5.59374319427966 2745168 COCC1=C(C=C(C(=S)N1)C#N)C(=O)OC 1 0.458 2 3 0 -10.1102408142481 2745146 COC(C1=NC(=NC=C1)SCC2=CC=CC=C2Cl)OC 1 3.668 2 2 -9.10088337037804 2745123 CC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)OC 1 4.136 2 4 -7.69199544895343 2745110 CC1=CC=C(C=C1)S/C(=C/N(C)C)/C(=O)C 1 2.359 1 1 2.79730377462367 2745105 CC(=O)/C(=C\N(C)C)/SC1=CC=C(C=C1)Cl 1 2.537 1 1 4.61930246521049 2745091 CC1=C(C(=O)N=C(N1)C)OC2=C(C=C(C=C2)Cl)Cl 1 2.359 2 2 -2.64670917971632 2745090 CC1=C(C(=O)N=C(N1)C)OC2=CC=CC(=C2)C(F)(F)F 1 1.973 2 2 0 -1.66086403214685 2745082 CC1=C(C(=O)N=C(N1)C2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Cl 1 4.024 2 2 -2.05124470717504 2745081 CC1=CC=C(C=C1)OC2=C(NC(=NC2=O)C3=CC=CC=C3)C 1 3.181 2 2 -4.52671027336155 2745080 CC1=C(C(=NC(=N1)C)OC)OC2=C(C=C(C=C2)Cl)Cl 1 3.701 2 2 0.382282384391731 2745077 CCOC(=O)CSC1=NC2=C(N1C)N=CC(=C2)C(F)(F)F 1 2.681 3 2 -8.70657639540188 2745075 CC(C)NC(=O)NNC(=O)C1=NN(C=CC1=O)C2=CC=C(C=C2)F 1 1.122 5 3 0 -11.5069315213871 2745073 C1=CC(=CC(=C1)Cl)NC(=O)NNC(=O)C2=NN(C=CC2=O)C3=CC=C(C=C3)F 1 2.637 5 3 0 -2.42176698209816 2745066 C1=CC=C(C(=C1)S(=O)(=O)NNC(=O)C2=NN(C=CC2=O)C3=CC=C(C=C3)F)Cl 1 2.432 4 4 0 -9.27225416798244 2745064 C1=CC(=CC=C1C(=O)NNC(=O)C2=NN(C=CC2=O)C3=CC=C(C=C3)F)C(F)(F)F 1 3.007 4 3 0 -1.4519463910351 2745063 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=NN(C=CC2=O)C3=CC=C(C=C3)F)Cl 1 2.729 4 3 0 -6.15118420289226 2745062 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=NN(C=CC2=O)C3=CC=C(C=C3)F 1 2.551 4 3 0 -4.76893961230456 2745061 C1=CC(=CC=C1C(=O)NNC(=O)C2=NN(C=CC2=O)C3=CC=C(C=C3)F)Cl 1 2.729 4 3 0 -2.94694092171774 2745058 C1=CC=C(C=C1)C(=O)C2=NN(C=CC2=O)C3=CC(=CC=C3)Cl 1 3.886 2 2 0.550241993723423 2745055 COC1=CN(N=C(C1=O)C(=O)OC)C2=CC(=CC=C2)Cl 1 2.025 2 4 0.404022363399286 2745041 COC(=O)C1=NN(C=CC1=O)C2=CC=C(C=C2)F 1 1.878 2 3 0 -3.37937956585173 2745038 CC1=C(C(=O)N=C(N1)NC(=O)C)OC2=CC=C(C=C2)Cl 1 1.475 3 3 0 -7.30230281901928 2745033 CC1=C(C(=O)N=C(N1)SCC(=O)C2=CC(=C(C=C2)F)F)OC3=CC=C(C=C3)Cl 1 4.563 2 3 -6.10889640340537 2745030 CC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)Cl 1 4.152 2 3 -7.92940023611907 2745022 CC(C)(C)C1=NC(=O)C=C(N1)CSC2=NN=C(N2C)C(F)(F)F 1 2.615 5 1 -11.6976683753748 2745000 CC(C)(C)C1=NN(C(=C1)C2=NN=C(N2C)SCC=C)CC3=CC=C(C=C3)F 1 5.584 5 0 -8.71727520034411 2744992 CC(C)(C)C1=NN(C(=C1)C(=O)NNC(=S)NC)CC2=CC=C(C=C2)F 1 3.979 5 1 -10.2882906923211 2744984 C1=CC(=C(N=C1)SCC(=NO)N)C(F)(F)F 1 1.623 3 1 0 -0.913622444630691 2744935 CC1=C(C(=NN1C)C(=O)SC2=CC=C(C=C2)Br)[N+](=O)[O-] 1 3.686 3 3 3.260306666487 2744905 CC1=C(C(=NO1)C(=O)OC)C(=NOC(=O)NC2=CC=C(C=C2)Cl)C 1 2.58 3 5 0 -5.21513237084467 2744904 CC1=C(C(=NO1)C(=O)OC)C(=NOC(=O)NC2=CC=CC=C2)C 1 1.916 3 5 0 -7.19378519980484 2744901 CC1=C(C(=NO1)C(=O)OC)C(=NOC(=O)C2=C(C=CC=C2F)F)C 1 2.419 2 5 0 -7.74196600579356 2744899 CC1=CC=C(C=C1)C(=O)N2C(=CC=N2)C3=C(ON=C3C(=O)OC)C 1 3.107 3 4 0 -9.15373072759956 2744898 CC1=C(C(=NO1)C(=O)OC)C2=CC=NN2C(=O)C3=CC=C(C=C3)Cl 1 3.286 3 4 0 -7.14343544267893 2744894 CC1=C(C(=NO1)C(=O)NNC(=O)NC2=CC(=CC=C2)Cl)C3=CSC(=N3)C4=CSC(=N4)C 1 2.944 6 3 0 -1.77752140064114 2744893 CC1=C(C(=NO1)C(=O)NNC(=O)NC2=CC=CC=C2)C3=CSC(=N3)C4=CSC(=N4)C 1 2.28 6 3 0 -4.68304479571993 2744892 CC1=CC=C(C=C1)C(=O)ON=C(C)C2=C(ON=C2C(=O)OC)C 1 2.494 2 5 0 -7.32318372182447 2744891 CC1=C(C(=NO1)C(=O)OC)C(=NOC(=O)C2=CC=C(C=C2)Cl)C 1 2.672 2 5 0 -5.31288843690385 2744889 CC1=C(C(=NO1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl)C3=CSC(=N3)C4=CSC(=N4)C 1 3.036 5 3 0 -2.30269534026071 2744885 CC1=C(C(=NO1)C(=O)NN)C2=CSC(=N2)C3=CSC(=N3)C 1 0.84 5 2 0 -2.80327783634073 2744855 CC(=O)C1=CSC(=N1)COC2=CC(=CC(=C2)Cl)Cl 1 3.543 1 2 -3.64240170022237 2744841 CC1=CC(=NO1)C2=NN=NN2C3=CC(=CC(=C3)Cl)Cl 1 2.998 5 1 -7.73846184767005 2744840 CC1=CC(=NO1)C2=NN=NN2C3=CC=C(C=C3)C(F)(F)F 1 2.612 5 1 -6.19822515250752 2744839 CC1=CC(=NO1)C2=NN=NN2C3=CC=C(C=C3)F 1 1.875 5 1 0 -9.08211501437456 2744827 CC1=CC(=NO1)C2=C(C(=NO2)C)C(=O)N 1 0.406 3 3 0 -6.78643797952921 2744824 CC1=CC(=NO1)C2=C(C(=NO2)C)C(=O)NN=CC3=CC=CC=C3 1 2.257 4 3 0 -9.38369822706807 2744811 CC1=NC(=CS1)C2=NC(=O)C=C(N2)COC 1 9.6e-002 3 2 0 -7.10842579705484 2744808 CC(=O)C1=CSC(=N1)NC2=CC=CC=C2Cl 1 2.572 2 1 0.17615005277797 2744804 CC(=O)C1=CSC(=N1)COC2=CC=C(C=C2)Cl 1 2.878 1 2 -2.28941778597968 2744803 CC(=O)C1=CSC(=N1)COC2=CC=CC=C2 1 2.214 1 2 -4.5996504885353 2744801 CC(=O)C1=CSC(=N1)CS(=O)(=O)C2=CC=CC=N2 1 1.145 2 3 0 -9.13455624651457 2744788 CC1=NC(=CS1)C2=NC(=CS2)CC(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 2.524 4 2 -5.44902306890525 2744787 CC1=CC=C(C=C1)C(=O)NNC(=O)CC2=CSC(=N2)C3=CSC(=N3)C 1 2.346 4 2 -7.45931835382587 2744785 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=C(C=CC=C2F)F)OC(F)(F)F 1 4.402 2 3 -7.0556205329839 2744762 C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC(=CC=C3)C(F)(F)F)OC(F)(F)F 1 6.116 2 2 6.67857909995429 2744723 CC1=C(SN=N1)C2=C(C(=NO2)C)C(=O)NC3=CC=C(C=C3)OC 1 2.263 4 3 0 -11.1514779125066 2744722 CC1=CC=C(C=C1)C=NOC(=O)C2=C(ON=C2C)C3=C(N=NS3)C 1 3.295 4 3 0 -6.43088067653361 2744721 CC1=C(SN=N1)C2=C(C(=NO2)C)C(=O)ON=C(C)C 1 1.116 4 3 0 -5.77039964475175 2744720 CC1=C(SN=N1)C2=C(C(=NO2)C)C(=O)ON=CC3=CC=C(C=C3)Cl 1 3.473 4 3 0 -4.42058539161299 2744719 CC1=C(C(=CC=C1)C)NC(=O)NNC(=O)C2=NOC(=C2C3=CSC(=N3)C)C 1 2.443 5 3 0 -7.44151653615233 2744702 CC1=C(SN=N1)C2=C(C(=NO2)C)C(=O)NC3=CC(=CC(=C3)Cl)Cl 1 3.608 4 2 -9.81112650229918 2744700 CC1=CC=C(C=C1)NC(=O)C2=C(ON=C2C)C3=C(N=NS3)C 1 2.766 4 2 -10.9268082976962 2744693 CC1=C(SN=N1)C2=C(C(=NO2)C)C(=O)OC 1 1.35 3 3 0 -10.7993277417887 2744685 C1=CC(=C(C=C1Cl)Cl)NC(=O)NC2=CC=NO2 1 2.43 3 2 -4.14499844982414 2744684 CC1=CC=C(C=C1)NC(=O)NC2=CC=NO2 1 1.587 3 2 0 -4.8502791853382 2744683 C1=CC=C(C=C1)NC(=O)NC2=CC=NO2 1 1.101 3 2 0 -5.00693332371155 2744678 CC1=C(C(=O)N=C(N1)C2=CC=CC=C2OC(F)(F)F)Cl 1 3.919 2 2 -4.77986275811221 2744677 COCC1=CC(=O)N=C(N1)C2=CC=CC=C2OC(F)(F)F 1 3.071 2 3 -7.20002062310454 2744676 C1=CC=C(C(=C1)C2=NC(=O)C=C(N2)C(F)(F)F)OC(F)(F)F 1 4.209 2 2 -4.59415558735482 2744672 CC1=CC(=O)N=C(N1)C2=CC=CC=C2OC(F)(F)F 1 3.55 2 2 -8.19173288612397 2744667 CC1=CC(=NO1)C2=C(C(=NN2C3=CC(=C(C=C3)F)Cl)C)C(=O)OC 1 3.902 3 3 -6.65451001199161 2744648 CC1=CC(=NO1)C2=C(C(=NO2)C)C(=O)OC3=CC=C(C=C3)Cl 1 3.501 2 4 -6.82055439131644 2744646 CC1=CC=C(C=C1)SC(=O)C2=C(ON=C2C)C3=NOC(=C3)C 1 3.881 2 3 -2.72665819486146 2744628 CC(=O)CN1C2=CC=CC=C2OC1=O 1 1.128 1 3 0 -3.69768432530747 2744625 CC1=CC(=NO1)C2=C(C(=NO2)C)C(=O)NC3=CC=C(C=C3)C(F)(F)F 1 3.131 3 3 -6.29186740316824 2744621 CC1=CC(=NO1)C2=C(C(=NO2)C)C(=O)O 1 1.034 2 4 0 -7.19784908257863 2744612 CC1=CC(=NO1)NC(=O)C2=CC=NO2 1 0.498 3 3 0 -13.0299247034915 2744609 C1=CC(=C(N=C1)SC2=NNC(=N2)C(F)(F)F)C(F)(F)F 1 3.909 4 0 -1.84089961487828 2744608 C1=CN=C(C=C1C(F)(F)F)SC2=NNC(=N2)C(F)(F)F 1 3.909 4 0 1.07119145394575 2744607 C1=CC(=NC=C1C(F)(F)F)SC2=NNC(=N2)C(F)(F)F 1 3.909 4 0 2.64915528092903 2744602 C1=CC(=C(N=C1)N2C=NC=N2)C(F)(F)F 1 1.703 4 0 0 -4.69301911943449 2744600 CC(C)(C)C1=NN(C(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)C(F)(F)F)C 1 3.584 4 2 -4.31412470923466 2744599 CC(C)(C)C1=NN(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2Cl)C 1 3.306 4 2 -9.13872835222919 2744598 CC(C)(C)C1=NN(C(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)Cl)C 1 3.306 4 2 -5.42340822171846 2744595 CC1=CC(=NO1)C2=NN=C(O2)C3=CC(=CC=C3)C(F)(F)F 1 3.024 3 2 -0.329741548198943 2744594 CC1=CC(=NO1)C2=NN=C(O2)C3=CC(=CC=C3)Cl 1 2.746 3 2 -1.48491183985253 2744592 CC(C)(C)C1=CC(=NO1)C(=O)NNC(=O)C2=CC=C(C=C2)C(F)(F)F 1 3.388 3 3 -4.86605612156948 2744591 CC(C)(C)C1=CC(=NO1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 3.11 3 3 -6.48641648338949 2744590 CC1=CC(=NO1)C(=O)NNC(=O)C2=CC(=CC=C2)C(F)(F)F 1 1.841 3 3 0 -7.42548976160545 2744589 CC1=CC(=NO1)C(=O)NNC(=O)C2=CC(=CC=C2)Cl 1 1.564 3 3 0 -8.10440674693153 2744587 CC(C)(C)C1=NN(C(=C1)C(=O)SC2=CC(=CC=C2)Br)C 1 5.338 2 1 9.37447152092454e-002 2744585 CC1=NN(C(=C1)C(=O)NNC2=CC=C(C=C2)C(C)C)C(C)(C)C 1 3.986 4 1 -3.18155558868838 2744584 CC1=NN(C(=C1)C(=O)NNC2=C(C=CC=C2Cl)Cl)C(C)(C)C 1 4.12 4 1 -3.76659973294669 2744582 CC1=CC=C(C=C1)OC(=O)C2=CC(=NN2C(C)(C)C)C 1 3.903 2 2 -6.16277714237823 2744581 CC1=NN(C(=C1)C(=O)OC2=CC=CC(=C2)C(F)(F)F)C(C)(C)C 1 4.359 2 2 -3.47685376765893 2744573 CC1=NN(C(=C1)C(=O)O)C(C)(C)C 1 1.614 2 2 0 -4.47858602032467 2744572 C1CSC(=N1)C2=CC=C(C=C2)OC3=NC=CC(=C3)C(F)(F)F 1 4.213 2 1 1.18388173166708 2744571 C1CSC(=N1)C2=CC=C(C=C2)OC3=C(C=CC=N3)C(F)(F)F 1 4.213 2 1 -0.348910839915773 2744568 CC(C)(C)C1=NN(C(=C1)C(=O)NNC(=O)NC2=CC(=CC=C2)Cl)CC3=CC=CC=C3 1 4.797 5 2 0 -5.80963694907398 2744567 CC1=C(C(=CC=C1)C)NC(=O)NNC(=O)C2=CC(=NN2CC3=CC=CC=C3)C(C)(C)C 1 5.105 5 2 0 -10.1775591394828 2744566 CC(C)(C)C1=NN(C(=C1)C(=O)NNC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3 1 4.133 5 2 0 -8.77095967545459 2744565 CC(C)(C)C1=NN(C(=C1)C(=O)NNC(=O)C(C)(C)C)CC2=CC=CC=C2 1 4.107 4 2 -13.7170036584743 2744559 CC(C)(C)C(=O)NNC(=O)C1=CC=C(O1)OC2=CC(=CC(=C2)Cl)Cl 1 4.162 2 4 -11.080839296797 2744558 C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(O2)OC3=CC(=CC(=C3)Cl)Cl 1 4.28 2 4 -6.03028147290047 2744557 C1=C(OC(=C1)OC2=CC(=CC(=C2)Cl)Cl)C(=O)NN 1 2.749 2 3 -3.30889514599668 2744553 CC1=CC(=NO1)C2=NC(=NO2)C3=CC=C(C=C3)C(C)(C)C 1 3.573 3 2 2.70016448305912 2744547 CC1=CC(=NO1)C(=O)ON=C(C2=CC=C(C=C2)C(C)(C)C)N 1 2.815 3 3 -0.525330698421948 2744546 CCN1C(=CC(=N1)C)C(=O)SC2=CC(=CC=C2)Br 1 4.141 2 1 -3.57144730147395 2744532 CC1=CC=C(C=C1)NC(=O)C2=CC(=NN2CC3=CC=CC=C3)C(C)(C)C 1 5.454 3 1 -6.7606755872926 2744514 CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NN 1 2.237 3 1 3.8464110917422 2744506 C1=CC=C2C(=C1)N(C(=O)O2)CC3=CC(=CC=C3)Cl 1 3.794 1 2 3.95702913908713 2744502 CC1=C(N(OC1=O)C)C2=NC(=NO2)C3=CC=C(C=C3)C(C)(C)C 1 2.775 3 3 6.68749957771973 2744498 CC1=C(N(OC1=O)C)C2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F 1 2.317 3 3 7.70513231594072 2744491 CC1=C(N(OC1=O)C)C(=O)OC2=CC=C(C=C2)Cl 1 2.156 1 4 -1.90103546400917 2744468 C1=CC=C(C=C1)C2=NN=C(O2)CC3=C(SC(=C3)Br)Br 1 3.886 2 1 -3.93277562013405 2744457 C1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC3=CC=CC=C3 1 3.423 2 1 -1.84092924734997 2744454 C1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC3=CC=C(C=C3)Cl 1 4.088 2 1 0.430755043658437 2744453 C1=CC(=CC=C1N2C(=NN=N2)C3=CC=NO3)Cl 1 2.051 5 1 -4.94440722027783 2744443 C1=C(ON=C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl 1 2.689 2 2 -3.43819248311913 2744440 C1=CC(=CC=C1NN=C(C#N)C(=S)N)OC(F)(F)F 1 3.915 4 1 3.78293302438705 2744437 CC(=O)C(=NNC1=CC=C(C=C1)OC(F)(F)F)C(=O)C 1 3.627 2 3 2.82952995332156 2744427 CC1=C(N(OC1=O)C)C(=O)NNC2=C(C=CC=C2Cl)Cl 1 2.195 3 3 -1.42895772915905 2744376 C1=CC=C(C=C1)NC(=O)CSC2=NC=C(C=C2)C(F)(F)F 1 3.339 2 1 -5.50831102691386 2744375 CC1=NC(=CS1)C2=NC(=CS2)C(=O)NNS(=O)(=O)C 1 -4.9e-002 4 3 0 -6.79623790569868 2744374 CC1=NC(=CS1)C2=NC(=CS2)C(=O)NNC(=O)C 1 0.161 4 2 0 -4.23636606146366 2744370 CC1=C(SC(=N1)C2=CC=CC=C2)C3=NN=C(O3)C4CC4 1 3.102 3 1 3.51091176171396 2744363 C1CCC(CC1)N2C(=O)NN=C2SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.445 6 4 0 -16.502327981644 2744360 CC1=CC=C(C=C1)C2=NN=C(O2)C3=NOC(=C3)C 1 2.568 3 2 -4.81821210724843 2744356 CC1=CC(=NO1)C(=O)NNC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C 1 2.774 4 4 0 -17.7511289747774 2744353 CC1=CC(=NO1)C(=O)NNC(=O)C2=CC=C(C=C2)C(F)(F)F 1 1.841 3 3 0 -6.84171539952226 2744352 CC1=CC(=NO1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 1.564 3 3 0 -8.61548359626774 2744344 CCN1C(=C(C(=N1)C)Br)C(=O)SC2=CC=CC=C2Cl 1 4.805 2 1 -2.09908129721684 2744320 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)ON=C(C3=CSC(=N3)C)N 1 2.742 4 3 0 -5.17457060551538 2744279 CCN1C(=CC(=N1)C)C2=NN=C(N2C)SC3=NC=C(S3)[N+](=O)[O-] 1 2.573 7 2 0 -5.41535585538141 2744272 CC1=C(SC(=N1)COC2=CC=CC=C2Cl)C3=NC(=NC=C3)N 1 3.226 4 1 0.872735234994678 2744269 CC1=C(SC(=N1)C2=CC=CS2)C3=NC(=NC=C3)C 1 2.861 3 0 -0.708151156064417 2744238 CCN1C2=C(C=C(C=C2)Cl)NC1=S 1 3.903 2 0 1.14751111558252 2744218 CCN1C(=CC(=N1)C)C(=O)SC2=C(C=C(C=C2)Cl)Cl 1 4.721 2 1 -3.66207867551338 2744217 CCN1C(=CC(=N1)C)C(=O)SC2=CC=C(C=C2)C 1 3.879 2 1 -3.72930808425134 2744216 CCN1C(=CC(=N1)C)C(=O)SC2=CC(=CC=C2)Cl 1 4.057 2 1 -2.81292948396776 2744202 CCN1C(=CC(=N1)C)C2=NN=C(N2CCCOC)SCC(=O)NC3=CC=CC=C3 1 2.549 6 2 0 -22.132514356814 2744194 C1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)CC3=CSC=C3 1 3.165 2 2 -14.5741536340037 2744175 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NNC(=O)C3=CSC(=N3)C 1 2.891 4 3 0 -14.7639432184861 2744160 CC1=C(SC(=N1)CS(=O)(=O)C2=CC=CC=N2)C(=O)NNC(=O)C3=CC=CC=C3 1 1.592 4 4 0 -11.6432007127482 2744159 CC1=C(SC(=N1)CS(=O)(=O)C2=CC=CC=N2)C(=O)NNC(=O)C3=C(C=CC=C3Cl)F 1 2.462 4 4 0 -11.3208286990131 2744158 CC1=C(SC(=N1)CS(=O)(=O)C2=CC=CC=N2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 2.256 4 4 0 -8.85714145763958 2744152 CC1=NC(=CS1)C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)Cl 1 2.854 5 1 -9.27785107132992 2744150 CC1=NC(=CS1)C2=NN=C(N2C)SCC(=O)NC3=CC(=CC(=C3)Cl)Cl 1 3.518 5 1 -10.1724645608535 2744148 CC1=NC(=CS1)C(=O)NNC(=S)NCCCOC 1 0.496 4 2 0 -15.6499906795147 2744140 C1CSC(S1)C2=CC=C(C=C2)OC3=CC=C(O3)C(=O)NNC(=O)C4=CC=C(C=C4)Cl 1 4.796 2 4 -5.83169603686346 2744127 CC(C)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C3SCCS3 1 4.825 1 2 -6.78519031892653 2744126 C1CSC(S1)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)Cl 1 4.295 1 2 -5.24665132499135 2744120 C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NC(=O)NC(=N2)C3=CC=C(C=C3)Cl 1 4.7 4 2 -7.79634228044079 2744108 CC1=NOC(=C1C(=O)ON=C(C2=CC=C(C=C2)C(C)(C)C)N)C3=CC=C(C=C3)Cl 1 4.998 3 3 8.47190708927011 2744081 CC1=NC(=CS1)C(=O)NNC(=O)C2=CC=C(C=C2)C(F)(F)F 1 1.958 3 2 0 -3.24311831534231 2744076 C1=CC=C(C(=C1)C(=O)NNC(=O)CN2N=C(N=N2)C3=CC=CS3)Cl 1 2.016 6 2 0 -11.1501920786071 2744062 CC1=NC(=CS1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 1.68 3 2 0 -5.01688651208779 2744060 CC1=NC(=CS1)C(=O)NNC(=O)NC2=CC=C(C=C2)Cl 1 1.588 4 2 0 -5.41858313858684 2744059 CC1=NC(=CS1)C(=O)NNC(=O)NC2=CC=CC=C2 1 0.924 4 2 0 -7.39723596754701 2744049 CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)NN=CC3=CC=CC=C3Cl 1 3.151 4 1 -3.10808479867625 2744045 CC1=NOC(=C1NC(=O)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(F)(F)F 1 4.676 3 2 5.7196974827243 2744029 CC1=C(SC(=N1)C2=CC=CS2)C(=O)NN 1 1.248 3 1 0 -6.1006047069666 2744028 CCOC(=O)C1=C(N=C(S1)C2=CC=CS2)C 1 2.942 1 2 -8.89907463140302 2744025 CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=N2)N)CC3=CC(=CC=C3)Cl)C 1 3.878 3 2 -3.80728579832303 2744024 CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=N2)N)CC3=CC=CC=C3)C 1 3.213 3 2 -6.66720720966126 2744023 CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=N2)N)CC3=CC=CC=C3Cl)C 1 3.878 3 2 -6.63069714874258 2744018 CC(C)(C)C1=CSC(=N1)CS(=O)(=O)C2=CC=CC=N2 1 2.805 2 2 -5.17521934601852 2744011 CSC1=NN=C(S1)SCC#N 1 1.659 3 0 0 -10.1035153335135 2744008 CCOC(=O)C1=CSC(=N1)COC2=CC=C(C=C2)OC 1 2.662 1 4 -5.79329875656925 2744000 CC1=NOC(=C1C(=O)OC)C2=CC=C(C=C2)Cl 1 2.896 1 3 -1.22822220205107 2743981 CC1=NC(=CS1)CSC2=NNC(=O)N2C3=CC(=CC=C3)F 1 2.913 4 1 -8.70441906289491 2743980 CC1=NC(=CS1)CSC2=NNC(=O)N2C3=CC=CC=C3 1 2.708 4 1 -10.7000240038323 2743970 CCOC(=O)C1=C(N=C(S1)C2=CC=CC=C2)C 1 2.988 1 2 -3.0223421363417 2743955 CC(C)C(=O)NNC(=O)C1=CSC(=N1)C2=CC=CS2 1 2.099 3 2 -11.2173413368773 2743941 C1=C(C=C(C=C1Cl)Cl)OCC2=NC(=CS2)C(=O)NN 1 2.313 3 2 -2.99007329439637 2743917 CC1=C(SC(=N1)CS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O 1 2.456 1 4 -7.7627465834667 2743906 CC(C)C(=O)NNC(=O)C1=CSC(=N1)CS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.187 3 4 0 -12.4107217190894 2743898 C1COCCN1NC(=O)NC2=CSC(=N2)CC3=C(C=CC=C3Cl)Cl 1 2.631 4 2 -6.78822329465659 2743897 CCC(=O)ON=C(C1=CC(=C(C=C1)OC2=CC(=C(C(=C2)C)Cl)C)[N+](=O)[O-])N 1 4.481 3 5 0 5.59094033777973e-002 2743891 C1=CC(=CC=C1S(=O)(=O)CC2=NC(=CS2)C(=O)NN)Cl 1 1.191 3 3 0 -7.60743389958151 2743884 CCOC(=O)C1=CSC(=N1)COC2=CC=CC=C2Cl 1 3.343 1 3 -5.85034659585963 2743870 C=CCN1C(=O)NN=C1SC2=NC=C(S2)[N+](=O)[O-] 1 1.826 5 3 0 -10.7452121910681 2743763 CC1=C(SC(=N1)C)C(=O)NNC(=O)NC2=CC=C(C=C2)Cl 1 1.734 4 2 0 -6.04404497640357 2743745 CCOC(=O)C1=C(N=C(S1)CS(=O)(=O)C2=CC=C(C=C2)Cl)C 1 3.03 1 4 -10.2052767103665 2743743 C1CC1C2=NN=C(O2)C3=CC=C(C=C3)Cl 1 2.812 2 1 2.99379711530089 2743738 CC1=CC=C(C=C1)SC(=O)C2=C(C(=NN2C)C)[N+](=O)[O-] 1 3.424 3 3 1.54920166992569 2743737 CC1=NN(C(=C1[N+](=O)[O-])C(=O)SC2=CC(=CC=C2)Cl)C 1 3.602 3 3 2.60541817443091 2743736 CC1=NN(C(=C1[N+](=O)[O-])C(=O)SC2=CC=CC=C2)C 1 2.938 3 3 0.814333038943375 2743697 CC1=NN(C(=C1[N+](=O)[O-])C(=O)ON=C(C2=CC=C(C=C2)C(C)(C)C)N)C 1 2.905 5 4 0 4.10297274419965 2743695 CC1=NN(C(=C1[N+](=O)[O-])C(=O)ON=C(C2=CC=C(C=C2)C(F)(F)F)N)C 1 2.447 5 4 0 5.12060548242064 2743684 C1=CC=C(C=C1)NC(=O)ON=C(C2=NC=C(S2)[N+](=O)[O-])N 1 1.176 5 4 0 2.63578791186777 2743682 C1=CC=C(C(=C1)C(=O)ON=C(C2=NC=C(S2)[N+](=O)[O-])N)Cl 1 1.932 4 4 0 2.9020182406621 2743681 C1=CC(=CC=C1C(=O)ON=C(C2=NC=C(S2)[N+](=O)[O-])N)Cl 1 1.932 4 4 0 3.9205552072206 2743676 CC1=C(N=CN1)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 1.116 5 3 0 -2.86524430429775 2743674 CC1=C(N=CN1)C(=O)NN=CC2=C(C=CC=C2Cl)Cl 1 2.473 4 1 -7.52472000953357 2743647 C1=CC=C(C(=C1)OCC2=NNN=N2)Cl 1 1.799 4 1 0 -4.50495448747869 2743628 C1=CC(=CC=C1C(F)(F)F)N2C=NNC2=S 1 2.877 3 0 -0.149099993025041 2743626 CC1=C(C(=NN1C)C(=O)NNC(=O)C2=CC=CS2)Br 1 1.797 4 2 0 -5.95166460959043 2743625 CC1=C(C(=NN1C)C(=O)NNC(=O)C2=CC=C(C=C2)C(C)(C)C)Br 1 3.244 4 2 -1.33698159586494 2743576 CSC1=NNC(=N1)C2=CC=C(C=C2)C(F)(F)F 1 3.52 3 0 7.30346112041267 2743615 CSC1=NC=C(N1)C2=CC=C(C=C2)Cl 1 3.274 2 0 5.48831152129156 2743603 C1=CN(C=C1)C2=CC=CC(=C2)C3=NOC(=N3)C(=O)NN 1 1.013 5 2 0 2.43127702876172 2743573 C1=CC(=CC=C1C2=NC(=S)NN2)C(F)(F)F 1 2.838 3 0 2.71718988854339 2743559 CC(C)(C)C(=O)ON=C(COC1=CC(=CC=C1)Cl)N 1 2.768 2 3 0.316445406857286 2743547 COCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C(F)(F)F 1 1.893 2 2 0 -2.72106352288213 2743546 CC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C(F)(F)F 1 2.373 2 1 -3.64173283726651 2743545 C1=C(C=C(C=C1Cl)Cl)OCC(=NO)N 1 2.063 2 2 2.79466009786205 2743543 CC(C)NC(=O)NNC(=O)C1=NOC(=C1)COC2=CC(=CC(=C2)Cl)Cl 1 2.785 4 4 0 -15.9956862039723 2743542 CCC(=O)NNC(=O)C1=NOC(=C1)COC2=CC(=CC(=C2)Cl)Cl 1 2.73 3 4 0 -12.1983981360708 2743540 C1CSC(S1)C2=CC=C(C=C2)OCC(=O)NNC(=O)C(Cl)Cl 1 2.418 2 3 -10.5666590079064 2743539 C1CSC(S1)C2=CC=C(C=C2)OCC(=O)NN 1 1.356 2 2 0 -6.28770099637047 2743537 CCOC(=O)C1=NOC(=C1)COC2=CC(=CC(=C2)Cl)Cl 1 3.89 1 4 -8.31507338131966 2743534 CC1=CC(=NO1)CSCC2=CC=C(C=C2)Cl 1 3.441 1 1 -6.3202041993874 2743523 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)NNC(=O)C(C)C 1 2.955 3 2 -4.03758736220664 2743521 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)NN 1 1.959 3 1 0 2.07264289499673 2743507 C1=CC(=CC=C1CSCC2=CC(=O)NC(=O)N2)Cl 1 2.014 2 2 -9.87375460133202 2743503 CC1=CC(=NO1)C(=O)NNC(=O)NC2=CC=C(C=C2)Cl 1 1.472 4 3 0 -9.01718022276679 2743502 CC1=CC(=NO1)C(=O)NNC(=O)NC2=CC=CC=C2 1 0.807 4 3 0 -10.995833051727 2743501 CCCCNC(=O)NNC(=O)C1=NOC(=C1)C 1 0.559 4 3 0 -17.1608732663433 2743500 CC1=CC(=NO1)C(=O)NNC(=O)NC(C)C 1 -4.3e-002 4 3 0 -17.2509081129552 2743492 CCN(CC)C(=O)OC1=NN=C(N1C2=CC=C(C=C2)Cl)SC(C)C 1 4.659 4 2 -6.74011019146642 2743491 CCN(CC)C(=O)OC1=NN=C(N1C2=CC(=C(C=C2)Cl)Cl)SC(C)C 1 5.323 4 2 -8.05238028730986 2743488 C1CCN(C1)C(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 3.823 2 4 -3.02257797553496 2743476 C1=CC(=CC=C1OC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl 1 2.951 2 4 -2.23902519837663 2743471 CSC1=C(C(=O)NC(=C1)C2=CC=C(C=C2)Cl)C#N 1 2.174 2 1 -1.85631009109502 2743464 CC(C)(C)C(=O)ON=C(C1=CC(=C(C=C1)OC2=CC(=CC(=C2)Cl)Cl)[N+](=O)[O-])N 1 5.052 3 5 0 -1.90801120459584 2743448 C1=CC(=CC=C1C2=C(N(N=C2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N)Cl 1 5.501 3 0 4.65920144117878 2743446 C1=CC=C(C=C1)N2C(=C(C=N2)C3=CC=C(C=C3)Cl)N 1 3.617 3 0 2.54550826400428 2743437 CC(C)C(=O)ON=C(C1=CC(=C(C=C1)OC2=CC=C(C=C2)Cl)[N+](=O)[O-])N 1 3.971 3 5 0 -0.431402526533575 2743409 C/C(=C(/C(=O)C1=CC=CC=C1F)\C(=O)OC)/NC 1 1.723 1 3 0 -5.34060190347891 2743396 CC1=CC(=NC2=NC(=NN12)SC3=C(C=CC=N3)[N+](=O)[O-])C 1 2.728 6 2 0 -10.3501438337783 2743384 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)CON=C(C#N)C3=C(C=CC=C3Cl)Cl 1 6.488 3 2 -8.8838175095181 2743374 C1CSC(S1)C2=CC=C(C=C2)OC3=C(C=CC=N3)[N+](=O)[O-] 1 3.853 2 3 -3.42645368383199 2743369 CC1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=C(C=C3)Cl 1 2.611 4 1 -6.06137152514797 2743362 CC(C)SC1=NN=C(N1C2=CC=CC=C2)OC(=O)N(C)C 1 3.297 4 2 -7.35958674892182 2743361 CN(C)C=NNC(=O)C1=CC=CC=C1Cl 1 1.259 3 1 0 -5.46697503614136 2743359 CC(C)SC1=NNC(=O)N1C2=CC=CC(=C2)C(F)(F)F 1 3.862 3 1 -3.25652550643288 2743358 CC(C)SC1=NNC(=O)N1C2=CC=CC=C2 1 2.919 3 1 -8.65398535123921 2743341 CC(C)(C)C1=CC=C(C=C1)OCC(=NOC(=O)N(C)C)N 1 2.16 3 3 2.56074401144954 2743313 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NCC2=CC=CO2 1 3.585 3 2 -8.22846164211551 2743312 CC1=CC(=NN1C)C(=O)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 3.44 5 1 -2.79135550083663 2743309 CN(C)C(=O)OC1=NN=C(N1C2=CC=C(C=C2)Cl)SC 1 3.235 4 2 -4.09749138826388 2743305 CC(C)N1C(=O)NNC1=S 1 0.899 3 1 0 -3.62415375800593 2743303 C#CCSC1=NNC(=O)N1C2=CC=CC(=C2)C(F)(F)F 1 4.328 3 1 -7.14822468433125 2743302 C=CCSC1=NNC(=O)N1C2=CC=CC(=C2)C(F)(F)F 1 3.752 3 1 -6.36452490112942 2743298 CSC1=NNC(=O)N1C2=CC=C(C=C2)Cl 1 2.857 3 1 -5.22355909548824 2743272 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)ON=C(C#N)C3=C(C=CC=C3Cl)Cl 1 6.353 3 3 -9.6256016955576 2743258 COCC1=CC(=O)N=C(N1)CC2=C(C=CC=C2Cl)Cl 1 2.314 2 2 -8.75342650732571 2743239 C1=CC=C(C(=C1)C(F)(F)F)N2C(=O)NNC2=S 1 2.692 3 1 -1.46741751050531 2743232 CSC1=NNC(=O)N1C2CCCCC2 1 2.475 3 1 -9.90759336739964 2743231 CSC1=NNC(=O)N1C2=CC(=CC=C2)Cl 1 2.857 3 1 -3.09925726255913 2743230 CC(C)(C)C1=NC(=NN1)SC2=C(C=CC=N2)[N+](=O)[O-] 1 3.319 5 2 0 -4.3619580821488 2743226 C1CCC(CC1)N2C(=O)NNC2=S 1 2.031 3 1 -5.05118172040011 2743207 C1=CC(=C(N=C1)SC2=NNC(=N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 4.101 5 2 0 0.357333534856467 2743199 CC(C)(C)C1=NC(=NN1)SC2=NC=C(C=C2)[N+](=O)[O-] 1 3.319 5 2 0 -2.87901717088125 2743180 CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)C(=O)NN 1 1.537 4 2 0 4.51567598593006 2743177 C1CSCCN1CC2=CC(=CC(=C2)Cl)Cl 1 3.664 1 0 3.65427813428513 2743176 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NCCCOC 1 2.751 3 2 -11.0523917151713 2743162 C1=C(C=C(C=C1Cl)Cl)C2=NC(=S)NN2 1 3.224 3 0 0.395670996296738 2743161 C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)NNC(=S)N 1 2.872 3 1 -4.24066297236733 2743144 CC(C)(C)C(=O)ON=C(C1=C(C=CC=C1Cl)Cl)N 1 3.597 2 2 -1.52294229003994 2743140 CC(C)(C)C1=CC(=NN1C2=C(C=C(C=C2Cl)Cl)Cl)NC(=O)NN3CCOCC3 1 4.798 5 2 0 -4.02353047108564 2743136 C1=CC=C(C=C1)C2=CC(=O)N=C(N2)CC3=C(C=CC=C3Cl)Cl 1 4.029 2 1 -5.61885544773424 2743116 CC1=CC(=NN1C2=C(C=C(C=C2Cl)Cl)Cl)C(=O)N 1 3.625 3 1 -0.8406817272576 2743113 CC1=CC(=NN1C2=C(C=C(C=C2Cl)Cl)Cl)NC(=O)NN3CCOCC3 1 3.252 5 2 0 -4.10200998246223 2743111 CC1=CC(=NN1C2=C(C=CC=C2Cl)Cl)NC(=O)NN3CCOCC3 1 2.587 5 2 0 -5.04531140864506 2743096 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC 1 2.82 3 1 -6.21212532938125 2743088 C1=CC(=C(C=C1Cl)Cl)CSC2=NNC(=N2)C(F)(F)F 1 4.914 3 0 -2.16892306996949 2743049 CN(C)C(=NO)C1=C(C=CC=C1Cl)Cl 1 2.64 2 1 0.460196879572171 2743046 C1COCCN1CC2=NC(=NO2)C3=C(C=CC=C3Cl)Cl 1 2.503 3 2 -0.781860169276067 2743025 CCOC(=O)C1=CC(=NC(=C1C#N)SC2=CC=C(C=C2)C)C 1 4.188 2 2 -6.86509723743276 2743004 COC(=O)C1=CC=C(O1)S(=O)(=O)N2CCOCC2 1 9.e-003 1 6 0 -14.8989912381114 2743003 COC(=O)C1=CC=C(O1)S(=O)(=O)NCC2=CC=CO2 1 0.881 1 6 0 -8.99857768633172 2743001 CC1=C(C(=C(O1)C)S(=O)(=O)N2CCOCC2)C(=O)OC 1 -0.116 1 6 0 -15.6872819933731 2742998 CC1=C(C(=C(O1)C)S(=O)(=O)NCC2=CC=CS2)C(=O)OC 1 1.314 1 5 0 -10.1722714701593 2742995 CC1=C(C(=C(O1)C)S(=O)(=O)NCC2=CC=CO2)C(=O)OC 1 0.756 1 6 0 -9.68714009071453 2742994 CC1=C(C(=C(O1)C)S(=O)(=O)NC(C)(C)C)C(=O)OC 1 0.922 1 5 0 -12.1873146616693 2742993 CC1=C(C(=C(O1)C)S(=O)(=O)N2CCCCC2)C(=O)OC 1 1.114 1 5 0 -13.7290992719234 2742988 CC1=C(C(=C(O1)C)S(=O)(=O)NC2=CC=CC=C2)C(=O)OC 1 1.567 1 5 0 -4.73675372190381 2742983 CC1=C(C(=C(O1)C)S(=O)(=O)N2CCCC2)C(=O)OC 1 0.658 1 5 0 -13.3746307577553 2742980 C1C(=NOC1(C(F)(F)F)O)C2=CC3=CC=CC=C3C=C2 1 3.165 1 2 8.19501670988061 2742979 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)NC=C3 1 3.097 2 2 -1.57835619705997 2742964 CC(C)(C)C(=O)NC1=NN(C2=C1C(=CC=C2)F)C 1 3.09 3 1 -9.13792445550615 2742914 COC1=CC2=C(C=C1)NC(=C2)C(=O)NCC3=CC=CC=C3 1 3.19 2 2 -0.271343600759262 2742915 COC1=CC2=C(C=C1)NC(=C2)C(=O)NCCN3CCOCC3 1 1.433 3 3 0 -1.72365695082732 2742916 COC1=CC2=C(C=C1)NC(=C2)C(=O)NCCN3CCCCC3 1 2.662 3 2 0.674949260084762 2742951 CC1=CC=C(C=C1)C(=O)NC2=NN(C3=C2C(=CC=C3)F)C 1 3.695 3 1 -3.62168192546562 2742909 CC1=C(C=C(O1)C(C)(C)C)C(=O)NC2=CC3=C(C=C2)OCO3 1 3.323 1 4 -7.20576668789968 2742900 CC1=C(C=C(O1)C(C)(C)C)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 3.525 3 2 0.716259931367414 2742899 CC1=C(C=C(O1)C(C)(C)C)C(=O)N2CCN(CC2)C3=C(C=CC=N3)C(F)(F)F 1 4.145 3 2 -3.89791945142799 2742898 CN(C1=C(C=C(C=C1)F)F)C(=O)C2=CC3=C(N2)C=CC(=C3)OC 1 3.8 2 2 4.03704686325343 2742897 CC1=CC(=C(N=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)OC)Br 1 3.806 3 2 3.6745400374084 2742896 COC1=CC2=C(C=C1)NC(=C2)C(=O)NCCC3=CC=CC=C3 1 3.511 2 2 0.45357395944531 2742895 CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)OC 1 2.935 2 2 -1.82384983646863 2742894 CC(COC)NC(=O)C1=CC2=C(N1)C=CC(=C2)OC 1 1.853 2 3 0 -2.96373966589866 2742891 CC1=NC(=CC=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)OC 1 2.854 3 2 3.9988771469782 2742890 COC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=C(C=C(C=C3)F)Br 1 4.137 2 2 2.51209125934313 2742889 CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)OC)F 1 3.874 2 2 4.90542479545448 2742887 COC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.951 2 4 0.205447904202375 2742886 COC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC=CC=C3Cl 1 3.847 2 2 3.39282943988948 2742883 CC1=CC(=C2C=C(NC2=C1)C(=O)NC3=CC4=C(C=C3)OCO4)C 1 3.94 2 3 -1.59959825487575 2742881 CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 3.791 2 2 5.05860684588769 2742869 CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCOCC2)C(=O)OC 1 8.e-002 2 5 0 -15.9232238257884 2742823 CC1=C(C=C(O1)C2=CC=C(C=C2)Cl)C(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 4.455 2 2 7.64815341483795 2742740 CC1=C(C=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)OC(F)(F)F)N)C 1 6.473 3 1 9.76646433561716 2742727 CC1=C(C=C(N1CCCN2CCOCC2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 1 3.758 3 2 -4.38104793733203 2742725 CC1=CC=C(C=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)OC(F)(F)F 1 5.805 2 2 5.58081432999677 2742708 CC1=CC=C(C=C1)NC(=O)C2=CC3=C(N2)C(=CC=C3)[N+](=O)[O-] 1 3.58 3 3 -0.478686319630878 2742707 CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=NO3 1 2.376 3 2 4.56897595730658 2742692 CC1=CC=CC(=C1)C2=NOC(=N2)C3=CC=NO3 1 2.376 3 2 7.67385700375225 2742651 C1=CC(=C(C=C1F)Cl)C2=NC(=NO2)C3=NC=CN=C3 1 2.142 4 1 3.84864764033413 2742650 CCN1C(=C(C(=N1)C)Br)C2=NC(=NO2)C3=CC(=CC=C3)C 1 3.952 4 1 7.13815753094148 2742648 CC1=CC=CC(=C1)C2=NOC(=N2)C3=C(ON=C3C)C 1 2.513 3 2 6.5333798606371 2742621 CCN1C(=C(C(=N1)C)Br)C2=NC(=NO2)CS(=O)(=O)C3=CSC=C3 1 2.506 4 3 0 -10.4511940939927 2742608 CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC(=NN3CC4=CC=CC=C4)C(C)(C)C 1 5.985 4 1 2.68303469258356 2742607 CCN1C(=C(C(=N1)C)Br)C2=NC(=NO2)C3=CC=C(C=C3)C 1 3.952 4 1 4.03327648449581 2742602 CC1=CC=C(C=C1)C2=NOC(=N2)C3=C(ON=C3C)C 1 2.513 3 2 3.42849881419143 2742577 C1=CC=NC(=C1)C2=NOC(=N2)C3=CC=NO3 1 1.168 4 2 0 2.33699657381079 2742571 C1CC(C1)C2=NC(=NO2)C3=CC=CC=N3 1 1.972 3 1 0 3.36621963028489 2742556 C1=CC(=CC=C1C2=NC(=NO2)CS(=O)(=O)C3=CC=C(C=C3)F)OC(F)(F)F 1 4.848 2 4 -0.465735613477383 2742554 CC1=CC=CC=C1NC(=O)C2=C(N(C(=C2)C3=CC=CC=C3)CCCN4CCOCC4)C 1 4.244 3 2 -6.76245490947149 2742553 CCN1C(=C(C(=N1)C)Br)C2=NC(=NO2)CS(=O)(=O)C3=CC=C(C=C3)F 1 3.049 4 3 0 -7.61837491015113 2742549 COC1=CC(=C(C=C1)Br)C2=NC(=NO2)CS(=O)(=O)C3=CC=C(C=C3)F 1 3.46 2 4 -4.89656045728389 2742546 CC1=C(C(=NO1)C)C2=NC(=NO2)CS(=O)(=O)C3=CC=C(C=C3)F 1 1.61 3 4 0 -8.22315258045551 2742521 C1=CC(=CC(=C1)F)C2=CSC(=N2)C3=CC=NO3 1 3.108 2 1 7.8289279805382 2742520 C1=CC(=CC=C1C2=CSC(=N2)C3=CC=NO3)C(F)(F)F 1 3.845 2 1 7.88825494584932 2742518 C1=CC(=CC=C1C#N)C2=CSC(=N2)C3=CC=NO3 1 2.781 3 1 1.66674890884635 2742427 C1CSC(S1)C2=CC=C(C=C2)C3=NC(=CS3)C4=CC(=C(C=C4)F)F 1 5.749 1 0 5.81587794865518 2742400 CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C4=CC=C(C=C4)C#N 1 3.482 4 3 0 -9.03574450768929 2742397 CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C4=CC=C(C=C4)C 1 4.09 3 3 -6.41000535801861 2742391 CC1=CC=C(C=C1)NC(=O)C2=C(N(C(=C2)C3=CC=CC=C3)CCCN4CCOCC4)C 1 4.244 3 2 -4.11965893124424 2742375 COC1=CC=C(C=C1)OCC2=NC(=CS2)C3=CC(=C(C=C3)F)F 1 4.387 1 2 6.54194361340349 2742366 CC(C)(C)S(=O)(=O)CC1=NC(=CS1)C2=CC(=C(C=C2)Cl)Cl 1 4.218 1 2 3.57785812743393 2742348 CC1=NC(=CS1)C2=CC3=C(C=C2)OCCCO3 1 2.341 1 2 2.5071294782141 2742315 CC1=C(C=C(N1C2=CC=CC=C2)C(C)(C)C)C(=O)N3CCOCC3 1 3.645 2 2 -7.3643547702568 2742303 CCOC(=O)C1=C(N(C(=C1)C(C)(C)C)CCCN2CCOCC2)C 1 3.059 2 3 -8.36281938482001 2742293 CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)NC3=CC=C(C=C3)OC 1 3.512 2 2 -8.63788833193682 2742292 CC1=CC(=CC(=C1)NC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C)C 1 4.501 2 1 -8.94182062017819 2742285 CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)NC3=CC=C(C=C3)Cl 1 4.193 2 1 -6.40292343220586 2742284 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NC3=CC=C(C=C3)Cl 1 4.446 2 1 -3.48897485910752 2742277 CC1=CC=CC=C1C(=O)NC2=CC(=NN2C)C3=C(OC(=C3)C(C)(C)C)C 1 4.763 3 2 -8.08845886950481 2742270 CCOC(=O)C1=CSC(=N1)C2=CC3=C(C=C2)OCC3 1 2.901 1 3 -3.4754439293274 2742253 C1COC2=C1C=C(C=C2)CNC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.53 2 2 -0.259473963062359 2742252 C1COC2=C1C=C(C=C2)CNC(=O)NC3=CC=CC=C3 1 2.588 2 2 -4.6421027868388 2742218 CC1=CC=CC=C1N/C=C(\C#N)/C(=O)C2=C(OC(=C2)C3=CC=C(C=C3)Cl)C 1 5.091 2 2 2.08999824635684 2742217 CC1=C(C=C(O1)C2=CC=C(C=C2)Cl)C(=O)/C(=C/NC3=CC(=CC=C3)OC(F)(F)F)/C#N 1 6.725 2 3 5.15525201132735 2742216 CC1=C(C=C(O1)C2=CC=C(C=C2)Cl)C(=O)/C(=C/NC3=CC=CC=C3)/C#N 1 4.605 2 2 3.29839594444994 2742198 CC1=C2C=NNC(=O)C2=C(N1C3=CC=CC=C3)C 1 2.02 3 1 -5.97732794652226 2742196 CC1=C2C(=CNN(C2=O)CC3=CC=CC=C3Cl)C(=N1)C 1 1.283 3 1 0 -3.02784998156589 2742194 CC1=C2C(=CNN(C2=O)CC3=CC=C(C=C3)Cl)C(=N1)C 1 1.283 3 1 0 -9.74062808033471e-004 2742192 CC1=C2C(=CNNC2=O)C(=N1)C 1 -1.17 3 1 0 -4.93187493673256 2742181 CC1=C(C=C(O1)C2=CC=C(C=C2)Cl)C(=O)O 1 3.183 0 3 7.1093814082757 2742171 CCOC(=O)C1=C(N(C(=C1)C)C2=CC=CC=C2)C 1 3.201 1 2 -6.36207277054642 2742170 CC1=C(C(=C(N1C)C)C(=O)OC)C(=O)C 1 1.015 1 3 0 -6.74569989392346 2742168 CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C 1 0.809 1 3 0 -5.97471292613716 2742156 CC1=C(NC(=S)N(C1=O)CCCOC)C 1 1.179 2 2 0 -6.67984343687459 2742155 CC1=CC(=O)N(C(=S)N1)CCCOC 1 0.733 2 2 0 -7.75990507713218 2742154 COC(=O)CC1(N(C(=O)C2=C(O1)C=CC(=C2)Br)C3=CC(=C(C=C3Cl)Cl)Cl)C(=O)OC 1 5.418 1 6 0 -1.61148342164656 2742152 CC(C)(CO)NC(=S)NCC1=CC=CO1 1 1.466 2 2 0 -10.7587641079381 2742111 C1C(CN(C1=O)CC2=CC3=C(C=C2)OCO3)C(=O)O 1 0.506 1 5 0 -12.8192825263746 2742110 CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)O 1 1.224 1 3 0 -10.9989051802697 2742057 C1C(CC(=O)C=C1NCC2=CC=CO2)C3=CC=C(C=C3)Cl 1 3.104 1 2 -7.29100375991543 2741934 CC(C)(C)NC(=O)N1CCC2=C(C1C3=CC=C(C=C3)OC)C=CS2 1 3.427 2 2 -17.2406513224551 2741902 CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)C3=C(C=C(C=C3C)C)C 1 5.065 1 2 -5.3800513595716 2741901 CC1=CC(=C(C(=C1)C)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)OC)C 1 4.562 1 3 -5.32839896504457 2741895 C1CN(CCN1C2=NC=C(C=C2)NC(=O)C3=CC=CS3)C4=C(C=CC=N4)C(F)(F)F 1 3.459 5 1 -1.86319110131878 2741884 C1=CSC(=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl 1 3.853 1 1 -7.99207026964053 2741834 CC1=CC(=CC(=C1)N2CC(CC2=O)C(=O)O)C 1 1.703 1 3 0 -8.27929992921192 2741832 C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)O 1 0.517 1 5 0 -10.1200866068023 2741827 CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)O 1 1.217 1 3 0 -8.27688390970606 2741801 C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)CSC3=CC=CC=N3 1 3.65 4 1 -5.66548802763513 2741794 C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)CSC3=CC=C(C=C3)Cl 1 4.926 3 1 0.453233182417505 2741788 CNC(=S)NC1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 2.783 6 0 -1.15358752410501 2741780 COC1=CC=CC=C1NC(=O)N2CCC3=C(C2C(F)(F)F)NC4=CC=CC=C34 1 4.308 3 2 -13.9902213030221 2741775 CS(=O)(=O)NC1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 1.011 5 2 0 1.73741786767856 2741772 CC(C)C(=O)NC1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 2.35 5 1 -2.6104901844315 2741770 C1CN(CCN1C2=NC=C(C=C2)C(=NO)N)C3=C(C=CC=N3)C(F)(F)F 1 1.79 6 1 0 3.68618848942025 2741755 COC1=C(C(=CC=C1)Cl)NC(=O)N2CCC3=C(C2C(F)(F)F)NC4=CC=CC=C34 1 4.972 3 2 -10.4702420972592 2741753 C1CN(C(C2=C1C3=CC=CC=C3N2)C(F)(F)F)C(=O)COCC(=O)O 1 1.97 2 4 0 -14.0688374922611 2741741 CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)C(F)(F)F 1 3.598 4 1 -2.639705546542 2741700 COC1=C(C=C(C=C1)Cl)NC(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 3.413 3 3 -2.94750639159971 2741692 CC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F 1 3.371 5 1 2.08794434846093 2741685 CC1=CC(=NO1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 1.885 3 3 0 -8.91057998672719 2741679 C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C3=NC=C(C=C3)NC(=O)C4=CC=CS4 1 2.839 5 1 1.28214384985786 2741678 CC(C)(C)C(=O)NC1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 2.767 5 1 -4.02099752196674 2741677 C=CCNC(=S)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.435 4 0 -9.51354547014157 2741662 CN(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.835 5 0 -7.78430572792658 2741656 C1CCN(C1)C(=O)C23CC4CC(C2)CC(C4)C3 1 2.596 1 1 -1.73083041487295 2741653 CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C 1 6.645 4 0 -5.72705516938372 2741638 C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=S)NCC3=CC=CC=C3 1 5.401 4 0 -6.06708071686539 2741632 CC(C)(C)NC(=O)N1CCN(CC1)C2=C(C=CC=N2)C(F)(F)F 1 2.467 4 1 -9.01545866574373 2741630 CC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 1.221 5 1 0 2.19216486876741 2741620 CC1=C(C(=NO1)C)C2=NN=C(O2)C3=CC=C(C=C3)C(F)(F)F 1 2.878 3 2 4.29966348368794 2741618 CC1=C(C(=NO1)C)C2=NN=C(O2)C3=CC=C(C=C3)OC(F)(F)F 1 4.056 3 3 3.39529924390187 2741611 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=CC=N4)C(F)(F)F 1 3.75 4 2 -5.77531553834721 2741601 CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=C(C=CC=N3)C(F)(F)F 1 2.779 3 3 -7.21608253920298 2741593 CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=CC=C2OC(F)(F)F 1 3.319 2 4 -4.818193105551 2741588 C1CN(CCN1C2=C(C=CC=N2)C(F)(F)F)C(=O)CCC(=O)O 1 1.385 3 3 0 -8.76695631347779 2741559 CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=CC=N2)C(F)(F)F 1 3.086 3 1 -5.18922128516356 2741548 C1CN(CCC1C(=O)C2=C(C=C(C=C2)F)F)C3=NC=C(C=C3)[N+](=O)[O-] 1 2.942 3 3 3.16739963561898 2741547 CC1=C(C(=C(C(=C1C)C)C(=O)C2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-])C)C 1 4.962 3 3 0.213144291368857 2741538 CC1=C(C(=NO1)C)C(=O)N(C)CC2=CC=CC=C2 1 1.709 2 2 0 -9.47693530905388 2741532 CC(C)(C)C1=CC=C(S1)C(=O)N2CCCC2 1 3.35 1 1 -6.72787484234153 2741522 CC1=C(C(=NO1)C)C(=O)N2CCOCC2 1 -0.187 2 3 0 -13.7743876068894 2741509 CC1=C(C(=NO1)C)C(=O)NC2=CC=C(C=C2)C#N 1 1.375 3 2 0 -12.1054293557024 2741508 CC1=CC(=NO1)NC(=O)C2=C(ON=C2C)C 1 0.635 3 3 0 -18.0305358936281 2741503 CC1=C(C(=NO1)C)S(=O)(=O)N2CCCCC2 1 0.746 2 3 0 -11.6442143411894 2741492 CC1=C(C(=NO1)C)S(=O)(=O)N(C)CC2=CC=CC=C2 1 1.412 2 3 0 -4.98376174786661 2741458 CN1CCN(CC1)C2=CC=CC=C2C=NNC(=O)C3=CN=CC=C3 1 1.652 5 1 0 -2.07997051472942 2741453 C1=CC(=CC=C1OC2=NC=C(C=C2)C(F)(F)F)OC3=NC=C(C=C3)[N+](=O)[O-] 1 4.564 3 4 0 1.62527810387413 2741451 CC1=C(C(=NO1)C)C(=O)N2CCC(CC2)C(=O)C3=C(C=C(C=C3)F)F 1 2.413 2 3 -8.30873702493523 2741445 CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=S)NCC=C 1 4.173 2 1 -13.1686219173935 2741429 C1=CNC(=C1)C(=O)NNC(=O)C2=CC(=CC(=C2)Cl)Cl 1 2.585 3 2 -1.70357082176931 2741372 CC1=CC=C(C=C1)C(=O)NC2=C(N=C(C=C2)N3CCOCC3)N4CCOCC4 1 2.108 4 3 0 -4.77624270161066 2741373 C1COCCN1C2=NC(=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)N4CCOCC4 1 2.564 4 3 0 -1.62441227213992 2741374 CC1=C(C(=NO1)C)C(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 1.739 3 3 0 -10.0546438352944 2741377 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 4.444 2 3 -9.13457080688124 2741379 C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl 1 3.579 2 0 6.04656525750876 2741385 CCOC(=O)N1CCN(CC1)C2=CC=CC=C2OC 1 2.184 2 3 -2.26613266426686 2741386 COC1=NC(=C(C=C1)NC(=O)NC2=C(C(=CC=C2)Cl)Cl)OC 1 3.746 3 3 -9.11018455548111 2741405 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NNC(=O)C2=CC=CN2 1 2.198 3 2 -0.784094221765072 2741392 C1=CNC(=C1)C(=O)NNC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 2.493 4 2 -3.23740793312875 2741389 COC1=CC=C(C=C1)C=NNC(=O)C2=CC=CN2 1 2.052 3 2 -3.52925991447904 2741361 C1=CC(=NC(=C1[N+](=O)[O-])SCCO)SCCO 1 1.656 2 4 0 -5.72002239746923 2741355 C1CCN(CC1)C2=NC(=C(C=C2)[N+](=O)[O-])N3CCCCC3 1 3.19 4 2 0.421272434167337 2741354 C1CCN(C1)C2=NC(=C(C=C2)[N+](=O)[O-])N3CCCC3 1 2.278 4 2 0.775740948335417 2741341 C1COC2=C(C1=NNC(=S)N)C=C(C=C2)Cl 1 2.362 3 1 -2.73327773744631 2741340 CC1CC(=NNC(=S)N)C2=C(S1)C=CC(=C2)Cl 1 3.298 3 0 -2.38100123368182 2741339 C1COC2=C(C1=NNC(=S)N)C=C(C=C2)F 1 1.903 3 1 0 -4.22971245946588 2741338 C1CSC2=C(C1=NNC(=S)N)C=C(C=C2)Cl 1 2.92 3 0 -1.89342330789758 2741318 COC(=O)C1=C(C=CC(=C1)N2C=CC=C2)N3CCOCC3 1 2.411 2 3 -3.31455856658343 2741291 CC1=C(C(=NO1)C)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC 1 1.202 3 5 0 -14.1346155339241 2741290 COC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2)N3CCOCC3 1 3.471 3 4 0 -13.7463074527063 2741273 CCC1=C(N=C(S1)C2=CC=CC=C2)C(=O)OC 1 3.306 1 2 -0.279981474283609 2741267 CCOC(=O)C(=CNC1=C(C=C(C=C1)C(F)(F)F)Cl)C(=O)OCC 1 3.614 1 4 2.84516054922827 2741258 CC1=CC(=C(C=C1)C2=CSC(=N2)N=C(N)N)C 1 2.065 4 0 8.1138409106079 2741257 CC1=CC=C(C=C1)C2=CSC(=N2)N=C(N)N 1 1.579 4 0 0 7.58999644862176 2741256 CC(C)(C#C)NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2F 1 4.536 1 1 -3.1342986320599 2741245 CC1=NC=C2CSC3=C(C2=N1)C=C(C=C3)F 1 2.454 2 0 3.2671487165686 2741228 C1CSC2=C(C1=NO)C=C(C=C2)F 1 2.318 1 1 2.18671931043801 2741225 CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)C2=CC=CC=C2F 1 4.42 1 1 -0.607759769539562 2741222 CCOC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)Cl)C 1 3.865 1 2 -3.87358156937197 2741217 CC1=C(N=C(S1)NC2=CC=CC=C2)CC(=O)OC 1 2.204 2 2 -3.38293342702428 2741215 C1=CC(=CC=C1C(=O)NNC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl 1 4.42 2 2 -0.995710944072252 2741169 C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)N)F 1 2.556 1 1 0.351352785873702 2741155 CC(=O)C1=CC=C(O1)C2=CC=CC=C2OC(F)(F)F 1 4.894 0 3 3.25217984247875 2741152 C1=CC=C(C(=C1)C2=CC=C(O2)C=NO)OC(F)(F)F 1 4.981 1 3 5.80883994381146 2741140 C1COCCN1C(=O)CC23CC4CC(C2)CC(C4)C3 1 1.857 1 2 0 -7.55418464854947 2741137 CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C)C 1 2.688 2 2 -6.98408036069981 2741134 C1=CC=C(C(=C1)C(=O)O)N2C=CC=C2C(=O)O 1 2.257 1 4 -3.27915929708495 2741131 C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=C(C=CC=C4F)F 1 3.951 1 1 -5.55668080891384 2741126 COC(=O)CCCCCCCC(=O)NC1=NN=C(S1)C(F)(F)F 1 3.125 3 3 -17.1588296389591 2741120 C1=CC(=C(C=C1C(F)(F)F)Cl)NC(=S)N 1 3.687 2 0 2.77131402920073 2741119 C1=CC(=C(C=C1C(F)(F)F)Cl)NC(=S)NN 1 3.349 3 0 1.78389705628778 2741118 CC1=CC=C(C=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C 1 2.191 2 4 -10.0572362229503 2741107 C1CC(=O)C(=NNC2=C(C=C(C=C2Cl)C(F)(F)F)Cl)C(=O)C1 1 4.284 2 2 2.63014243754024e-002 2741096 COC(=O)C1=CC(=O)N(N1)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl 1 2.855 2 3 0.640183612869665 2741087 COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=O)C3=CC=CS3 1 4.331 1 3 -8.58145109828673 2741063 C1CCN(C1)S(=O)(=O)C2=CC(=C(S2)Cl)Br 1 2.401 1 2 -6.93346856894354 2741000 CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C 1 4.092 1 2 -2.57465727438871 2741039 C1=CC(=CC(=C1)C(F)(F)F)C2=CC=NC3=C(C=NN23)C(=S)N 1 2.862 4 0 -0.152088270482284 2741037 COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CO2)N3CCOCC3 1 1.715 2 5 0 -7.7937123201147 2741014 C1=CC(=CC(=C1)C(F)(F)F)C2=CC=NC3=C(C=NN23)C#N 1 2.871 4 0 0.798167644955632 2741013 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=CC=C2)NC(=O)CCC(=O)O 1 2.459 3 3 -6.5200069505498 2740991 C1=CC(=CC=C1COC2=CC=C(C=C2)C3=NN=CO3)F 1 2.901 2 2 3.01908547703149 2740958 CCOC(=O)C1=C(N(N=C1C)C2=C(C=CC=N2)NC(=O)NC(C)C)C 1 1.919 5 3 0 -17.8262398014759 2740945 CCOC(=O)C1=C(N(N=C1C)C2=C(C=CC=N2)NC(=O)CCC(=O)O)C 1 1.043 4 5 0 -16.4148188850078 2740944 CC1=CC(=NN1C2=C(C=CC=N2)[N+](=O)[O-])C 1 1.767 4 2 0 -7.01655438432156 2740943 COC1=CC=CC(=C1OC)C=NNC2=C(C=CC=N2)[N+](=O)[O-] 1 2.698 4 4 0 -2.17578468173502 2740924 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=CC=C2)NC(=O)CSCC(=O)O 1 2.576 3 3 -7.49656465689999 2740916 CN1C(=C(C(=N1)C(F)(F)F)C2=CC=CC=C2)N 1 2.747 3 0 3.23353393255688 2740913 CC1=CC(=NO1)NC(=O)CC2=CC(=CC(=C2)F)F 1 2.199 2 2 -12.7002146706485 2740893 CC1=C(SC(=N1)C(=O)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 2.835 3 2 -6.76518683584831 2740867 C1=CC=C(C(=C1)C2=NN=CO2)OC(=O)C3=CC=C(C=C3)Cl 1 3.225 2 3 -3.36571665613728 2740856 CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)N2CCCC2 1 3.23 2 1 -9.27275823349735 2740850 C1=CC(=C(C(=C1)F)C(=O)NCCCNC(=O)C2=C(C=CC=C2F)F)F 1 2.779 2 2 -9.07112127248396 2740833 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(F)(F)F)C(=O)O 1 5.075 3 3 -5.25124944338481 2740829 COC1=CC2=C(C=C1)C=C(C=C2)C3=CC=NN3 1 2.975 2 1 1.49014167611808 2740828 COC1=CC2=C(C=C1)C=C(C=C2)C3=NOC=C3 1 3.123 1 2 7.51192860075763 2740820 CC(=O)OC1=CC=C(C=C1)C2=CSN=N2 1 2.089 2 2 -4.60528043073375 2740817 CC1=CC=C(C=C1)C(=O)C2CCNCC2.Cl Cl- 1 2.146 1 1 -3.98881733146637 2740796 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NOC(=C2)C 1 1.722 3 4 0 -13.9160552705864 2740788 CC1=CC=C(N1CCN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)F)F)C 1 2.554 3 2 -13.6021551032346 2740786 CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NCC3=CC=C(C=C3)C(F)(F)F)C 1 3.033 1 3 8.5572256334877 2740778 C1=CC=C(C=C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32 1 3.84 2 2 -2.87240247835015 2740776 CC1=CC=C(N1CCN2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C 1 3.104 3 1 -4.94687547497884 2740772 CC1=CC(=NN1C2=CC=C(C=C2)NN=C(C#N)C#N)C 1 2.459 6 0 -4.17308555059342 2740771 CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC=CS2)C(=O)O 1 1.975 1 4 0 -3.19262120906365 2740762 CC1=C(SN=N1)C(=O)N2CCC(CC2)C(=O)C3=CC=CC=C3 1 2.239 3 2 -10.8672925248317 2740757 C1CN(CCC1C(=O)C2=CC=CC=C2)C3=C(C=CC=N3)[N+](=O)[O-] 1 3.151 3 3 -0.209447255695564 2740754 C1CN(CCC1C(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 3.028 2 2 -4.00847144792176 2740743 CC1=CC(=C(S1)C)C2CC(=O)NC3=CC=CC=C3S2 1 2.991 1 1 -3.9074850077681 2740740 C1CN(CCC1C(=O)C2=CC=CC=C2)C(=O)C3=C(C=CC=C3F)F 1 3.531 1 2 -5.04221141375069 2740739 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)C3=CC=CC=C3 1 4.52 1 2 -0.148242569826824 2740738 C1CN(CCC1C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl 1 3.784 1 2 -0.904378028351312 2740737 CC1=C(C(=NO1)C)C(=O)N2CCC(CC2)C(=O)C3=CC=CC=C3 1 2.002 2 3 -10.2868591209834 2740736 C1CN(CCC1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CO3 1 2.515 1 3 -3.02688941217587 2740735 C1CN(CCC1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CS3 1 3.073 1 2 -8.44283659477216 2740716 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC2=C(C=CC=N2)N3C=CC=C3 1 4.302 4 1 -1.93156274100218 2740715 C1=CN(C=C1)C2=C(N=CC=C2)NNC(=O)C3=CC=C(C=C3)Cl 1 3.566 4 1 -2.68769819952667 2740713 C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)O 1 1.275 1 3 0 -10.8945125734737 2740705 C1CCN(C1)C(=S)NC2=CC=CC=C2C(F)(F)F 1 4.451 2 0 -9.56624817557463 2740704 C1CCN(C1)C(=S)NC2=CC=CC(=C2)C(F)(F)F 1 4.451 2 0 -5.8994554711441 2740698 CC(C)(C)C(=O)N1CCCC1C(=O)O 1 1.203 1 3 0 -8.85002734903224 2740695 CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NN=C(O3)C(F)(F)F 1 3.132 4 1 -5.44817419279806e-002 2740694 CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NN=C(O3)C4=CC=C(C=C4)Cl 1 4.373 4 1 4.58061533012003 2740693 CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NN=C(O3)C4=C(N(N=C4C)C5=CC=CC=C5)C 1 4.363 6 1 0 -0.304584617315265 2740689 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NNC(=O)C(F)(F)F 1 1.95 4 2 0 -6.65720661253886 2740683 CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NC(=NO3)C4=CC(=CC=C4)Cl 1 4.464 4 1 8.4463361906885 2740675 C1C(SC2=CC=CC=C2NC1=O)C3=CSC=C3 1 2.7 1 1 -6.2416794421613 2740672 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC3=CC=CC=C3 1 3.916 2 2 -4.87187188962963 2740670 CC1=CC=C(C=C1)OC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C 1 4.402 2 2 -4.27890300994639 2740668 C1=CC(=CC=C1N)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F 1 3.914 3 0 3.08583794215684 2740667 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC3=CC=C(C=C3)OC 1 3.9 2 3 -4.64884919595628 2740660 CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)NC(=O)CSCC(=O)O)C 1 1.771 3 5 0 -14.9029386268238 2740652 CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)NC(=O)C3=C(ON=C3C)C)C 1 2.355 4 4 0 -13.3449457003558 2740651 CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C 1 3.426 3 3 -9.27519110833349 2740650 CC(C)(C)C(=NOC(=O)C1=CC=C(C=C1)OC)C2=CC=CS2 1 4.608 1 3 -4.01223139218861 2740635 C1=CC=C(C=C1)C2=NC(=CS2)C(=O)NN 1 1.149 3 1 0 -0.176294045109694 2740630 C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NN 1 1.184 3 1 0 -1.00812285569818 2740626 COC1=CC(=CC(=C1OC)OC)CCC(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 2.977 2 5 0 -12.8147846725366 2740600 C1C(SC2=CC=CC=C2NC1=O)C3=CC=CO3 1 2.327 1 2 -8.08272511906366 2740568 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC(=C3)C(F)(F)F 1 1.407 4 3 0 -14.5822788622311 2740563 CC1=C(SN=N1)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C(F)(F)F 1 1.703 5 1 0 -7.00798237293525 2740544 C1=CC(=CC(=C1)NS(=O)(=O)C2=C(C=C(C=C2)F)F)C3=NN=CO3 1 2.027 3 3 2.28171306360584 2740532 C1COCCN1C2=NC(=CS2)CSC3=CC=C(C=C3)Cl 1 3.061 2 1 2.35231704204195 2740513 C1CN(C(C2=C1C3=CC=CC=C3N2)C(F)(F)F)C(=O)C4=CC=CC=C4C(=O)O 1 4.046 2 3 -13.9022128608367 2740512 C1CN(C(C2=C1C3=CC=CC=C3N2)C(F)(F)F)C(=O)C4=C(C=CC=N4)C(=O)O 1 3.324 3 3 -13.908888805355 2740498 C1CN(C(C2=C1C3=CC=CC=C3N2)C(F)(F)F)C(=O)CCC(=O)O 1 2.597 2 3 -17.5547192594158 2740467 C1C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl 1 3.335 0 4 -4.58115394568011 2740429 CC1=C(C(=NO1)C)C(=O)NCC2=CC=C(S2)SC 1 1.91 2 2 0 -9.17706470956227 2740411 C1C2=CC(=CC(=C2OCO1)CSC3=CC=CC=C3N)[N+](=O)[O-] 1 2.691 2 4 -7.4807569266221 2740388 CC(C)(C)C(=O)NC1=C(C=CC=C1Cl)OC(F)(F)F 1 5.281 1 2 -8.64018579632141 2740377 CCOC(=O)C1=CSC(=N1)C2=C(N=NS2)C 1 1.962 3 2 0 -9.77606373921372 2740372 CCOC(=O)C1=CSC(=N1)C2=C(C=CS2)Br 1 3.545 1 2 -6.2762532365903 2740352 COC(=O)C1=CC(=O)N(N1)C2=CC=C(C=C2)C(F)(F)F 1 1.526 2 3 0 0.725379534564253 2740351 CC(C)(C)NS(=O)(=O)C1=C(SC(=C1C2=CC=CC=C2)C(F)(F)F)C(=O)OC 1 4.233 1 4 -7.91116699291859 2740350 COC(=O)C1=C(C(=C(S1)C(F)(F)F)C2=CC=CC=C2)S(=O)(=O)N3CCCC3 1 3.968 1 4 -8.94507525407915 2740345 CN(C)S(=O)(=O)C1=C(SC(=C1C2=CC=CC=C2)C(F)(F)F)C(=O)OC 1 3.507 1 4 -4.25591368144146 2740324 COC(=O)C1=C(C(=C(S1)C(F)(F)F)C2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 3.195 1 5 -11.257726489697 2740267 CC(C)C(=O)NC1=CSC(=C1C2=CC=CC=C2)C(F)(F)F 1 4.493 1 1 -5.78237526564638 2740242 CC1=NOC(=C1C(=O)NNC(=O)C2=CC(=CC=C2)C(F)(F)F)C(F)(F)F 1 2.784 3 3 -4.36974071537346 2740241 CC1=NOC(=C1C(=O)NNC(=O)C2=CC=CC=C2)C(F)(F)F 1 1.841 3 3 0 -6.97009944247397 2740216 CC1=CC=C(C=C1)S(=O)(=O)CC(C)(CS(=O)(=O)C2=CC=C(C=C2)C)O 1 3.197 0 5 -7.06931427292498 2740205 C1=CC(=CC(=C1)Cl)C2=CSC(=N2)NC3=CN=CC=C3 1 3.2 3 0 11.2275654962143 2740204 C1=CC=C(C(=C1)C2=CSC(=N2)NC3=CN=CC=C3)Cl 1 3.2 3 0 7.43614598509359 2740193 COC1=CC=C(C=C1)C2=C(SC(=C2C3=CC=C(C=C3)OC)C(=O)N)C#N 1 3.959 2 3 -1.35116618419604 2740179 COC(=O)C1=CC(=O)N2C3=CC=CC=C3SC2=C1C#N 1 2.083 2 3 -5.33312061785348 2740175 CC1=C(C(=NC(=N1)C2=CC=CC=N2)N(C)C3=CC=CC=C3)Cl 1 3.554 4 0 4.86477415682752 2740166 C1=CC=C(C=C1)NN=CC2=NC3=CC=CC=C3S2 1 3.939 3 0 5.68695625482693 2740149 C1=CC=C(C=C1)C2=C(SC(=C2C3=CC=CC=C3)C(=O)N)C#N 1 3.992 2 1 -1.4127163913671 2740109 C1COCCN1C2=NSC(=C2C#N)C3=CC=C(C=C3)C(F)(F)F 1 3.242 3 1 1.46620160329687 2740105 C1CCN(C1)C2=NSC(=C2C#N)C3=CC=CC=C3 1 3.073 3 0 -0.66052706346978 2740104 C1COCCN1C2=NSC(=C2C#N)C3=CC=CC=C3 1 2.3 3 1 -2.60408170035063 2740091 CC(=O)C1=CC=C(C=C1)NN=C2CCCNC2=O 1 1.104 3 2 0 -15.3586052728043 2740090 C1CC(=NNC2=C(C=CC(=C2)F)F)C(=O)NC1 1 1.775 3 1 0 -9.4761638578771 2740084 CSC1=C(C=CS1)C=NO 1 1.984 1 1 0 3.51620252703894 2740081 CC1=CC=C(C=C1)NN=C(C#N)C(=O)C2=CSC=C2 1 3.478 3 1 -1.40568841710286 2740078 C1=CC(=CC(=C1)NN=C(C#N)C(=O)C2=CSC=C2)C(F)(F)F 1 3.934 3 1 3.07692778624605 2740076 C1=CC(=CC=C1NN=C(C#N)C(=O)C2=CSC=C2)Cl 1 3.656 3 1 0.416310273483959 2740073 CC(=O)C1=CC2=C(S1)C3=C(C=CC(=C3)F)OC2 1 3.275 0 2 0.358318302770423 2740072 CC(=O)NC1=CC=CC=C1OCC(CS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F)O 1 1.928 2 5 0 -11.3604528968 2740027 CCN(CC)C(=O)C1=CC=C(S1)C2=CC=CS2 1 3.658 1 1 -9.86754603779614 2740020 C1=CSC(=C1)C2=NC(=NO2)C3=CC=C(S3)C4=NOC=C4 1 3.744 3 2 2.26699062581649 2740017 CC1=NC(=NO1)C2=CC=C(S2)C3=NOC=C3 1 2.126 3 2 0.979931050011072 2739967 C1CN(C(C2=C1C3=CC=CC=C3N2)C(F)(F)F)C(=O)C4=CC(=CC=C4)C(F)(F)F 1 5.358 2 1 -8.09183440986067 2739968 CC1=CC=CC=C1C(=O)N2CCC3=C(C2C(F)(F)F)NC4=CC=CC=C34 1 4.902 2 1 -11.9015701822549 2739969 COC1=CC=C(C=C1)C(=O)N2CCC3=C(C2C(F)(F)F)NC4=CC=CC=C34 1 4.4 2 2 -11.061878801701 2739979 C1CN(C(C2=C1C3=CC=CC=C3N2)C(F)(F)F)C(=O)NC4=CC=CC=C4 1 4.324 3 1 -10.8408061964217 2740012 C1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(S3)C4=NOC=C4 1 3.79 3 2 6.1381476261462 2740001 CC(=O)C1=C(C(=C(S1)C(=O)O)C2=CC=CO2)C3=CC=CO3 1 3.271 0 5 -1.8207277010651 2739997 CC1=CC(=CC(=C1C(=O)O)C)C(C)(C)C 1 3.832 0 2 -0.318995543942504 2739990 C1CN(C(C2=C1C3=CC=CC=C3N2)C(F)(F)F)C(=O)CSCC(=O)O 1 2.714 2 3 -16.5148764743298 2739955 CC1=C(C2=C(O1)C(=C(C(=C2F)F)F)F)S(=O)(=O)NC3=CC(=C(C(=C3)OC)OC)OC 1 3.539 1 6 0 -3.47520326554489 2739954 CC1=C(C2=C(O1)C(=C(C(=C2F)F)F)F)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F 1 4.531 1 3 6.43601142870182 2739941 C1CN(C(C2=C1C3=CC=CC=C3N2)C(F)(F)F)C(=O)C4=CC=C(C=C4)Cl 1 5.08 2 1 -8.82691390197004 2739934 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)NC(=O)C2=CC=C(C=C2)Cl 1 4.502 3 1 -0.320415884061072 2739933 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)NC(=O)C2=CC=CC=C2Cl 1 4.502 3 1 -2.75969984000768 2739932 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)NC(=O)C2=CC=CC=C2 1 3.838 3 1 -2.12193314063876 2739924 CC1=C2C(=NOC)CCN2C3=CC=CC=C13 1 2.887 2 1 1.45964487527096 2739916 CN(C1=NC=C(C=C1C(F)(F)F)Cl)N=CC2=C(C=C(C=C2)Cl)Cl 1 5.341 3 0 3.34691254323653 2739914 CN(C1=NC=C(C=C1C(F)(F)F)Cl)N=CC2=CC=C(C=C2)Cl 1 4.677 3 0 2.65914529196318 2739912 CN(C1=NC=C(C=C1C(F)(F)F)Cl)N=CC2=CC=CC=C2Cl 1 4.677 3 0 1.8471851304053 2739900 CC1=C2C(=NO)CCN2C3=CC=CC=C13 1 2.848 2 1 2.03228031498174 2739892 C1=CC(=CC=C1C#N)OS(=O)(=O)C2=CC=C(S2)C3=NOC=C3 1 3.322 2 4 -5.86289437788321 2739876 C1COCCN1S(=O)(=O)C2=CC=C(S2)C3=NOC=C3 1 1.113 2 4 0 -10.2467137472082 2739875 C1CCN(C1)S(=O)(=O)C2=CC=C(S2)C3=NOC=C3 1 1.886 2 3 0 -7.93406251159044 2739822 CC(=O)NNC(=O)C1=CC2=C(S1)C=CS2 1 1.313 2 2 0 -5.8252475901724 2739824 CC(C)C(=O)NNC(=O)C1=CC2=C(S1)C=CS2 1 2.443 2 2 -8.81732823710125 2739825 CC(C)(C)C(=O)NNC(=O)C1=CC2=C(S1)C=CS2 1 2.86 2 2 -10.950842792493 2739865 CC1=C2C(=O)CCN2C3=CC=CC=C13 1 2.781 1 1 -0.137568713150916 2739864 C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=NO2)COC3=C(C=C(C=C3)Cl)Cl 1 5.251 2 2 5.57978926803751 2739860 C1=CC(=C(C=C1F)Cl)NC(=O)CS(=O)(=O)NC2=C(C=C(C=C2)F)Cl 1 3.117 2 3 -4.88193153699478 2739835 CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=C(C=C2)OC)C(=O)OC 1 2.457 1 5 -2.50493303682215 2739789 C1=CSC2=C1SC(=C2)C(=O)NN 1 1.446 2 1 0 -2.91158129284009 2739786 CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CSC=C2)C(=O)O 1 1.684 1 4 0 -1.17630415561067 2739785 CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(O3)C4=C(SC=C4)C(=O)OC)C(=O)OC 1 2.912 1 6 0 -33.8258400353495 2739782 CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CSC=C2)C(=O)OC 1 2.135 1 4 -4.00625732538321 2739764 COC1=CC=CC(=C1)C2=NC(=NO2)COC3=C(C=C(C=C3)Cl)Cl 1 4.292 2 3 2.53940257891614 2739763 COC1=CC=CC=C1C2=NC(=NO2)COC3=C(C=C(C=C3)Cl)Cl 1 4.292 2 3 -1.61843807553605 2739748 C1=CSC=C1C2=NC(=NO2)COC3=C(C=C(C=C3Cl)F)Cl 1 4.176 2 2 -1.21321627950131 2739729 CNC(=O)NNC(=O)C1=CSC(=N1)C2=C(C=C(C=C2)C(F)(F)F)Cl 1 2.619 4 2 0.449727606817863 2739727 COC(=O)C1=C(C=CS1)C2=CC=C(O2)C=NOC(=O)C3=CC=CS3 1 4.111 1 5 -4.32493963784169 2739712 CN(C)C1=C(C=C(C=C1F)C(=O)NC(=O)NCC2=CN=CC=C2)F 1 1.824 4 2 0 -9.54910109697707 2739709 COC(=O)C1=C(C=CS1)C2=CC=C(O2)C=C(C(=O)OC)C(=O)OC 1 2.982 0 7 0 -1.72189473735776 2739696 CC(=O)CC1=NSC(=N1)NC2=CC=CC=C2 1 1.479 3 1 0 3.15820371173565e-002 2739692 CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)NC2C3=CC=CC=C3C(=O)O2 1 3.969 3 2 0.300774794186484 2739691 CN(C1=NC=C(C=C1C(F)(F)F)Cl)NC2C3=CC=CC=C3C(=O)O2 1 3.332 3 2 -1.26172021671044 2739690 COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)OC 1 4.033 0 3 -2.14743252094255 2739680 C1CC(=C(C2=CC=CC=C21)Cl)C=NO 1 2.946 1 1 5.81025254791733 2739678 C1C2=C(C3=C(S1)C=CC(=C3)Cl)NN=C2 1 3.043 2 0 0.983595097513423 2739677 CC1=CC=C(C=C1)C2=NC=NS2 1 2.569 2 0 2.85348454214248 2739667 C1CSC2=C(C1=NNC3=C(C=C(C=C3)F)F)C=CS2 1 4.102 2 0 -2.46889618523597 2739660 C1C2=C(C3=C(S1)C=CC(=C3)Cl)SC(=C2)C(=O)N 1 3.555 1 1 5.51689130792199e-002 2739654 COC(=O)C1=CC2=C(S1)C3=C(C=CC(=C3)F)OC2 1 3.391 0 3 -0.618975534880742 2739643 C1=CC(=CC=C1C#N)OCC2=NOC(=N2)C3=CSC=C3 1 2.521 3 2 -4.90045739980373 2739642 C1=CC(=CC(=C1)OCC2=NOC(=N2)C3=CSC=C3)C(F)(F)F 1 3.584 2 2 0.692056477770955 2739641 C1=CC(=C(C=C1Cl)Cl)OCC2=NOC(=N2)C3=CSC=C3 1 3.971 2 2 -0.901525789632337 2739635 CC1=C(N=C(O1)C(=O)NNC(=O)C)C2=CC=CC=C2 1 0.603 3 3 0 0.826976016540151 2739634 CC1=C(N=C(O1)C(=O)NNC(=O)NC)C2=CC=CC=C2 1 0.599 4 3 0 -0.926094501985273 2739614 C1C2=C(C3=C(S1)C=CC(=C3)Cl)SC(=C2)C(=O)NN 1 3.063 2 1 -1.6371387032068 2739606 CC1=C(N=C(O1)C(=O)N)C2=CC=CC=C2 1 1.228 2 2 0 4.08691840046464 2739598 CC1=C(OC(=N1)C)C(=NOC(=O)C2=CC=CC=C2)C 1 1.856 2 3 0 -1.70852004035632 2739597 CC1=C(OC(=N1)C)C(=NOC(=O)C2=C(C=C(C=C2)Cl)Cl)C 1 3.185 2 3 4.23612691997827 2739596 CC1=C(OC(=N1)C)C(=NOC(=O)C2=CC=C(C=C2)C(F)(F)F)C 1 2.799 2 3 2.68289441448532 2739580 CC1=C(OC(=N1)C)C2=NN(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.974 3 3 -2.2159775517812 2739579 C1=CC(=C(C=C1C(F)(F)F)Cl)C2=NC(=CS2)C(=O)NN 1 2.756 3 1 4.01400529792233 2739567 CC1=CC(=O)OC(=C1)C(=O)NC2=CC=CC=C2 1 1.784 1 3 0 -6.78482512209354 2739565 CC1=CC(=O)OC(=C1)C(=O)OC 1 0.855 0 4 0 -6.56787284370095 2739563 CC1=CC(=O)OC(=C1)C(=O)O 1 0.629 0 4 0 -5.47949831761327 2739561 C1=CC=C(C=C1)NC(=O)C2=CC=CC(=O)O2 1 1.338 1 3 0 -7.43637696307076 2739546 CC(C)(C)C(=O)N1CCC2=C(C1C3=CC=C(C=C3)OC)C=CS2 1 4.047 1 2 -13.9889066168922 2739545 CC(=O)N1CCC2=C(C1C3=CC=C(C=C3)OC)C=CS2 1 2.5 1 2 -12.2282366834533 2739518 COC1=CC=C(C=C1)OC(=O)C2=CN=C3N(C2=O)CCS3 1 1.854 2 4 0 -12.0229892929077 2739517 C1CSC2=NC=C(C(=O)N21)C(=O)OC3=CC(=CC(=C3)Cl)Cl 1 3.199 2 3 -10.7106922964836 2739506 C1=CC(=CC=C1OCCC(=O)NC2=NC=CS2)F 1 1.9 2 2 0 -6.79611216885619 2739505 CC1=CC(=NO1)NC(=O)CCOC2=CC=C(C=C2)F 1 2.042 2 3 -14.0850913866298 2739497 C1=CC(=CC=C1C2=C(N=CO2)C(=O)NN)Cl 1 1.14 3 2 0 -1.57112460371023 2739496 CNC(=O)C1=C(OC=N1)C2=CC=C(C=C2)Cl 1 1.838 2 2 0 -4.5099609168463 2739494 C1=CC=C(C=C1)NC(=O)C2=C(OC=N2)C3=CC=C(C=C3)Cl 1 3.414 2 2 -2.65532618089474 2739470 C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C3=NN=CO3 1 1.821 4 2 0 -0.483401132497256 2739468 C1=CC(=CC(=C1)Cl)CNC(=O)C2=CC=C(C=C2)C3=CSN=N3 1 3.777 3 1 -7.6749594584843 2739466 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)C3=NN=CO3 1 2.281 3 3 3.13403885913254 2739462 C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)C3=CSN=N3 1 2.295 3 2 -11.9511907361431 2739450 CC(=O)ON=C(CC1=CC=C(C=C1)C2=CSN=N2)N 1 1.249 4 2 0 -0.838541742103029 2739448 CC(C)(C)C(=O)ON=C(CC1=CC=C(C=C1)C2=CSN=N2)N 1 2.795 4 2 -2.67725797485148 2739437 C1=CC=NC(=C1)NS(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)Cl 1 3.312 2 2 2.57061289226279 2739435 CC1C2=CN=C(N=C2C3=C(S1)C=CC(=C3)Cl)N 1 3.109 3 0 3.99959690477309 2739418 CC(C)(C)C(=O)NC1=CC=CC(=C1)C2=NOC=N2 1 1.886 3 2 0 -7.66502898069092 2739410 C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C3=NN=CO3 1 1.867 3 2 0 -2.37405263315852 2739394 CC(=O)COC1=CC=C(C=C1)C2=CSN=N2 1 1.887 2 2 0 -5.85857202316121 2739390 C1CNC(C2=C1SC=C2)C3=CC=C(C=C3)C(F)(F)F 1 3.663 1 0 -5.28912670859751 2739375 C1CC1C(=O)OC2=CC=C(C=C2)C3=CSN=N3 1 2.847 2 2 -10.4061404177983 2739368 CCCC1C2=C(CCN1C(=S)NC)SC=C2 1 3.876 2 0 -14.9963012140605 2739359 C1=CC(=CC=C1C2=CSN=N2)C(=O)N 1 1.323 3 1 0 -6.52584596094482 2739357 C1=CSC(=C1)C(=O)OC2=CC=C(C=C2)C3=CSN=N3 1 3.707 2 2 -8.91782137616728 2739355 CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C3=CSN=N3 1 4.24 2 2 -7.95258735291739 2739346 CC(C)(C)C(=O)ON=C(C1=CC=C(C=C1)C2=CSN=N2)N 1 2.76 4 2 -2.59499374220067 2739345 CC(=O)ON=C(C1=CC=C(C=C1)C2=CSN=N2)N 1 1.214 4 2 0 -0.756277509452225 2739335 CCOC(=O)NN=C(C)C1=CC=C(C=C1)Br 1 2.739 2 2 -7.17251559831799 2739319 CC1=C(C(=CC=C1)Cl)C=NNC(=S)NC 1 3.382 3 0 -6.39612541925387 2739312 C1CC1C(=O)N2CCC3=C(C2C4=CC=C(C=C4)Cl)C=CS3 1 3.939 1 1 -12.1222221451935 2739306 C1CC1C(=O)NCCC2=CC=CS2 1 1.703 1 1 0 -13.8497750825563 2739277 C1=CC(=CC=C1C2=CSN=N2)NNC(=O)C3=CC(=CC(=C3)Cl)Cl 1 4.457 4 1 -2.12503432664324 2739275 CC1=CC=CC=C1C(=O)NNC2=CC=C(C=C2)C3=CSN=N3 1 3.615 4 1 -8.03216191213897 2739274 C1=CC=C(C(=C1)C(=O)NNC2=CC=C(C=C2)C3=CSN=N3)C(F)(F)F 1 4.071 4 1 -4.44224790440317 2739271 CC1C2=C(CCN1C(=S)NC)SC=C2 1 2.896 2 0 -13.7357574421311 2739269 C1CNC(C2=C1SC=C2)C3=CC=C(C=C3)Cl 1 3.385 1 0 -7.06289490534299 2739264 C=CC(=O)NCC1=CC=C(C=C1)C2=CSN=N2 1 2.146 3 1 -9.32786666334489 2739263 C1CC1C(=O)NCC2=CC=C(C=C2)C3=CSN=N3 1 2.206 3 1 -12.9679406905166 2739236 C1=CSC(=C1)C(=O)NCC2=CC=C(C=C2)C3=CSN=N3 1 3.066 3 1 -11.171483125433 2739227 C1=CC(=CC=C1CNC(=O)C2=CC(=CC(=C2)Cl)Cl)C3=CSN=N3 1 4.442 3 1 -7.66274445865887 2739223 CC1=CC(=C(C=C1Cl)C)S(=O)(=O)CC2=NOC(=N2)C3=C(ON=C3C)C 1 3.041 3 4 0 -4.41774794427908 2739221 CC1=C(C(=NO1)C)C2=NC(=NO2)CS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.069 3 4 0 -7.11303091533394 2739220 CC1=C(C(=NO1)C)C2=NC(=NO2)CS(=O)(=O)C3=CC=CC=C3 1 1.405 3 4 0 -9.83103924515692 2739219 CC1=C(C(=NO1)C)C2=NC(=NO2)CSC3=CC=CC=C3 1 2.42 3 2 -2.2716149351032 2739183 CC(C)(C)C(=O)NC1=CC=C(C=C1)C2=CSN=N2 1 2.988 3 1 -12.6897291776241 2739182 C1=CC(=CC=C1C2=CSN=N2)NC(=O)C(Cl)(Cl)Cl 1 3.12 3 1 -6.73803236185401 2739181 C1CC1C(=O)NC2=CC=C(C=C2)C3=CSN=N3 1 2.2 3 1 -5.71573027048841 2739179 CC1=CC=C(C=C1)C2=CN=CO2 1 2.023 1 1 2.29974640753778 2739176 CC1=CC=C(C=C1)SCC2=NOC(=N2)C3=C(ON=C3C)C 1 2.907 3 2 -1.53674630412089 2739174 CC1=C(C(=NO1)C)C2=NC(=NO2)CSC3=CC=C(C=C3)Cl 1 3.085 3 2 0.47354898079973 2739169 C1=CC(=CC=C1C2=CN=CO2)NC(=O)C3=C(C=C(C=C3)F)F 1 2.732 2 2 -1.46681997594139 2739168 C1=CC(=CC=C1C2=CN=CO2)NC(=O)C3=CC=C(C=C3)Cl 1 2.986 2 2 -1.65096609373771 2739167 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CN=CO3 1 2.321 2 2 -4.26861235183387 2739137 CC1=CC=C(C=C1)C2=CSN=N2 1 2.808 2 0 -1.13933482451753 2739124 C1CCN(C1)C(=O)NC(=O)C2=CSN=N2 1 0.458 4 2 0 -11.8094819892635 2739119 C1=CC=C(C(=C1)NC(=O)NC(=O)C2=CSN=N2)Cl 1 2.032 4 2 -10.0499368323766 2739107 CCOC(=O)NN=C1CCS(=O)(=O)C2=C1C=C(C=C2)Cl 1 2.116 2 4 -4.09748703651543 2739104 CCOC(=O)NN=C1CC(S(=O)(=O)C2=C1C=C(C=C2)Cl)C 1 2.493 2 4 -4.70508283411056 2739083 CC(C)(C)C1=CC(=C(S1)C(=O)OC)CS(=O)(=O)C2=CC=CC=N2 1 3.828 1 4 -6.97600052857494 2739078 CC(C)(C)C1=CC(=C(S1)C(=O)OC)CSC2=CC=CC=C2 1 5.455 0 2 -4.25384804402871 2739077 CC(C)(C)C1=CC(=C(S1)C(=O)OC)CS(=O)(=O)C2=CC=C(C=C2)Cl 1 5.104 0 4 -6.10120658746789 2739056 CNC(=O)NN=C(C1=CC=CC=N1)N 1 -0.465 5 1 0 -6.54355044150863 2739047 CC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)C(F)(F)F 1 2.029 4 1 3.09429607707717 2739045 CC(C)(C)C(=O)CN1N=C(N=N1)C2=CC=C(C=C2)C(F)(F)F 1 3.575 4 1 0.824134377110134 2739043 C1=CC(=CC=C1C2=NN(N=N2)CC(=O)NN)C(F)(F)F 1 0.809 6 1 0 2.49713552123302 2739040 CN(C)C(=O)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F 1 3.526 2 3 -7.72142620159228 2739035 C1CCN(C1)C2=NC3=C(C=C(C=C3S2)Cl)Cl 1 3.787 2 0 7.28766510534376 2739034 C1CCN(CC1)C2=NC3=C(C=C(C=C3S2)Cl)Cl 1 4.243 2 0 6.93319659117568 2739033 C1COCCN1C2=NC3=C(C=C(C=C3S2)Cl)Cl 1 3.014 2 1 5.3441104684629 2739032 COC(=O)C1=C(N(N=N1)C2=CC(=CC=C2)Cl)C(=O)OC 1 2.684 3 4 0 -4.81208423490323 2739027 CCCCOC(=O)C1=NN=C(O1)C2=CC=C(C=C2)Cl 1 3.384 2 3 -0.246527160619612 2739023 CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(SN=C2SC)SC 1 4.774 2 1 -5.87346888408307 2739022 CSC1=C(C(=NS1)SC)C(=O)NC2=CC=C(C=C2)Cl 1 4.038 2 1 -6.62960434260755 2739015 CSC1=C(C(=NS1)SC)CO 1 1.985 1 1 0 -3.13950766078066 2739010 CSC1=C(C(=NS1)SC)C(=O)NC(=O)NC2=CN=CC=C2 1 2.003 4 2 -5.73116310778955 2738984 COC(=O)C1=C(N(N=N1)C2=CC(=C(C=C2)F)Cl)C(=O)OC 1 2.889 3 4 0 -7.1517617159034 2738983 COC(=O)C1=NNN(C1=O)C2=CC(=C(C=C2)F)Cl 1 1.467 3 3 0 -5.0667128224128 2738978 COC(=O)C1=C(N(N=N1)C2=CC(=CC(=C2)Cl)Cl)C(=O)OC 1 3.348 3 4 0 -6.50440076176331 2738977 COC1=CC=C(C=C1)C2=C(N(N=N2)C3=C(C=C(C=C3)Cl)Cl)N 1 4.226 4 1 1.59556827178951 2738976 COC1=CC=C(C=C1)C2=C(N(N=N2)C3=CC(=CC(=C3)Cl)Cl)N 1 4.226 4 1 3.39882193339271 2738970 COC(=O)C1=NNN(C1=O)C2=CC(=CC(=C2)Cl)Cl 1 1.926 3 3 0 -3.3620371681313 2738966 CCOC(=O)C1=NNN(C1=O)C2=CC(=CC(=C2)Cl)Cl 1 2.275 3 3 -3.96578795532189 2738961 CC1=C(C(=C2C(=C1C)NC(=N2)C3=CC4=C(C=C3)OCO4)C)C 1 4.983 2 2 5.20394620734981 2738953 CC1=C(C(=NO1)C)NC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.024 3 2 -10.7990542718695 2738927 CC1=NN(N=C1CNS(=O)(=O)C)C2=CC=CC=C2 1 0.822 4 2 0 -3.42099659349459 2738925 CC1=NN(N=C1CNC(=O)C2CC2)C3=CC=CC=C3 1 1.789 4 1 0 -9.32985029647347 2738924 CC1=NN(N=C1CNC(=O)C2=C(OC=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 2.815 5 3 0 -7.39270769387946 2738922 CC1=NN(N=C1CNC(=O)CC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3 1 2.698 4 3 0 -12.2390070614245 2738921 CC1=NN(N=C1CNC(=O)CC(C)(C)C)C2=CC=CC=C2 1 2.612 4 1 -9.32380845496813 2738917 CC1=NN(N=C1CNC(=O)CC2=CC=CC=C2OC)C3=CC=CC=C3 1 2.714 4 2 -10.726569326476 2738915 CC1=NN(N=C1CNC(=O)C2=C(OC=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 2.831 5 2 0 -7.74728936309876 2738912 CC1=NN(N=C1CNC(=O)C2CCC2)C3=CC=CC=C3 1 2.245 4 1 -5.64615240346355 2738890 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CC3=C(C=C2)OCC3 1 2.35 1 5 -4.11750397235648 2738883 CN(C)C1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCC3 1 2.842 2 2 -9.58398504207093 2738881 COC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCC3 1 2.663 1 3 -7.33566487260242 2738879 CC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCC3)C 1 3.652 1 2 -6.98582446604637 2738858 COC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)N3CCOCC3 1 1.216 3 3 0 -5.88736006374972 2738853 CN(C)C1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)N3CCOCC3 1 1.395 4 2 0 -8.13568023321823 2738843 C1=CSC(=C1)C2=NC(=CS2)CNC(=O)NC3=CC=C(C=C3)C(F)(F)F 1 4.021 3 1 -5.8802819942403 2738841 C1=CSC(=C1)C2=NC(=CS2)CNC(=O)NC3=C(C=C(C=C3)F)F 1 3.489 3 1 -10.2932200683439 2738836 C1=CC(=CC(=C1)Cl)NC(=O)NCC2=CSC(=N2)C3=CC=CS3 1 3.743 3 1 -6.82457385139193 2738828 C1=CC=C(C=C1)C(=O)NCC2=CSC(=N2)C3=CC=CS3 1 3.17 2 1 -12.8063406905995 2738827 C1CC(C1)C(=O)NCC2=CSC(=N2)C3=CC=CS3 1 2.72 2 1 -11.3998376324715 2738823 C1=CSC(=C1)C2=NC(=CS2)CNC(=O)C3=CSC=C3 1 2.832 2 1 -13.7028705503215 2738815 COC1=CC=CC=C1CC(=O)NCC2=CSC(=N2)C3=CC=CS3 1 3.189 2 2 -16.4092357849963 2738814 CCC(=O)NCC1=CSC(=N1)C2=CC=CS2 1 2.173 2 1 -12.8854542573647 2738813 COC1=CC=C(C=C1)C(=O)NCC2=CSC(=N2)C3=CC=CS3 1 3.154 2 2 -12.3262651057096 2738812 C1CC1C(=O)NCC2=CSC(=N2)C3=CC=CS3 1 2.264 2 1 -15.0835355254814 2738811 C1CCC(CC1)C(=O)NCC2=CSC(=N2)C3=CC=CS3 1 3.632 2 1 -11.6888569197417 2738810 C1=CC(=CC(=C1)Cl)C(=O)NCC2=CSC(=N2)C3=CC=CS3 1 3.835 2 1 -9.53777967894553 2738795 C1=CC=NC(=C1)CCNC(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)Cl 1 3.547 3 2 -6.44581198074693 2738794 C1=CC=NC(=C1)CCNS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F 1 3.757 2 3 -3.03691445696898 2738785 C1=CC=NC(=C1)CCNS(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3 1 2.511 3 2 -3.81428002531301 2738783 C1CN2CCC1C(=O)C23CC3C4=CC=C(C=C4)C(F)(F)F 1 3.061 1 1 4.33787199879498 2738778 C1=CSC(=C1)C2=NC(=CS2)CNS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.538 2 2 -5.64834469399231 2738769 C1=CSC(=C1)C2=NC(=CS2)CNS(=O)(=O)C3=CC=CS3 1 2.66 2 2 -9.50987406760131 2738761 C1=CC(=CC(=C1)S(=O)(=O)NCC2=CSC(=N2)C3=CC=CS3)C(F)(F)F 1 3.815 2 2 -4.63727358934133 2738759 C1=CC=C(C=C1)S(=O)(=O)NCC2=CSC(=N2)C3=CC=CS3 1 2.873 2 2 -8.46374725034007 2738754 C1COCCN1C2=NC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=N3)CC4=CC=CC=N4 1 0.861 5 3 0 -7.97450640349016 2738750 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CCOCC3 1 1.148 3 3 0 -4.49728522461334 2738705 COC1=CC=C(C=C1)C2=C(N=CO2)C(=O)N3CCN(CC3)CC4=CN=CC=C4 1 1.753 4 3 0 -3.43675491341071 2738711 CC1=C(SC(=N1)C2=NC=CN=C2)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC 1 1.951 4 3 0 -14.8891534248378 2738740 C1COCCN1C2=NC=C(C=C2)S(=O)(=O)NCC3=C(C=C(C=C3)Cl)Cl 1 2.271 3 3 -2.44493412070212 2738739 C1CCC(CC1)NS(=O)(=O)C2=CN=C(C=C2)N3CCOCC3 1 1.217 3 3 0 -8.25895674765519 2738735 CN1C(=CC=C1S(=O)(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC 1 0.6 3 6 0 -7.48232510225236 2738734 COC(=O)C1=CC=C(O1)S(=O)(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 0.404 2 7 0 -9.66664643190062 2738730 COC(=O)C1=C(C=CS1)S(=O)(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 0.838 2 6 0 -13.5665754259692 2738729 CN1CCOC2=C1C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 0.994 3 5 0 -8.43442721542338 2738727 C1=CC2=NON=C2C(=C1)S(=O)(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 0.599 4 5 0 -7.1080920064624 2738723 CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 2.1 3 4 0 -13.3202758685566 2738684 CCC1=CC=C(C=C1)S(=O)(=O)NC2CCCCNC2=O 1 1.795 2 3 0 -16.3425824627525 2738683 C1CCNC(=O)C(C1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.517 2 3 0 -14.2811456363866 2738681 CC1=C(C=C(C=C1)C(=O)NC2CCCCNC2=O)C 1 2.122 2 2 -17.4068104269711 2738671 C1CCNC(=O)C(C1)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 1.795 2 3 0 -13.1726803052108 2738666 C1CCNC(=O)C(C1)NS(=O)(=O)C2=CC=CC3=CC=CC=C32 1 1.761 2 3 0 -16.9309374767266 2738663 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2CCCCNC2=O 1 0.82 2 5 0 -18.1281872434128 2738662 C1CCNC(=O)C(C1)NS(=O)(=O)C2=CC(=C(C=C2)F)F 1 1.264 2 3 0 -16.2448251233331 2738659 CC1=CSC(=C1C(=O)N)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 0.773 3 4 0 -10.0003446035363 2738657 C1COCCN1C2=CC=CC=C2NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 1.348 3 4 0 -9.55687430463974 2738656 C1=CC=C(C=C1)OCCNC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.554 2 4 0 -11.6628338409165 2738655 C1COCCN1C2=CC=C(C=C2)CNC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 1.355 3 4 0 -12.4213056748151 2738646 CC1=C(C(=NO1)C2=CC=CC=C2)CNC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 2.052 3 4 0 -13.298245552214 2738624 CC1=C(C=C(O1)S(=O)(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC 1 0.259 2 7 0 -8.04162817990118 2738622 CC1=C(C=C(O1)S(=O)(=O)N2CCC(CC2)C(=O)N)C(=O)OC 1 -0.35 2 6 0 -11.4012169251137 2738607 CC1=CC(=C(S1)C)S(=O)(=O)NCC2=CC=C(C=C2)N3CCN(CC3)C 1 2.397 3 2 0.410163004005313 2738606 CN1CCN(CC1)C2=CC=C(C=C2)CNS(=O)(=O)C3=CSC=C3 1 2.106 3 2 -0.697012159069989 2738599 CN1CCN(CC1)C2=CC=C(C=C2)CNS(=O)(=O)CC3=CC(=CC=C3)C(F)(F)F 1 3.393 3 2 2.56440646524561 2738598 CN1CCN(CC1)C2=CC=C(C=C2)CNS(=O)(=O)CC3=CC=C(C=C3)Cl 1 3.115 3 2 -0.708963292643429 2738596 CN1CCN(CC1)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC(=C3)F 1 2.649 3 2 2.25801075228852 2738595 CN1CCN(CC1)C2=CC=C(C=C2)CNS(=O)(=O)C3=C(C=C(C=C3)F)Cl 1 3.314 3 2 2.79203544227537 2738594 CC1=C(C=C(C=C1)F)S(=O)(=O)NCC2=CC=C(C=C2)N3CCN(CC3)C 1 3.135 3 2 0.751086393854829 2738593 CN1CCN(CC1)C2=CC=C(C=C2)CNS(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 2.411 3 4 0 -0.50515047289504 2738592 CN1CCN(CC1)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.108 3 2 3.53422454822604 2738591 CCC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3CCN(CC3)C 1 3.386 3 2 1.05608774375331 2738590 CC1=CC=CC=C1S(=O)(=O)NCC2=CC=C(C=C2)N3CCN(CC3)C 1 2.93 3 2 -0.530413245222028 2738589 CN1CCN(CC1)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3 1 2.444 3 2 0.816216218403065 2738578 CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCN(CC3)C)C 1 3.713 3 1 -3.37347096658493 2738574 CN1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4O3 1 3.336 3 2 1.04950614226053 2738572 CN1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=CO3 1 2.136 3 2 -3.26694549328907 2738571 CN1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)OCCO4 1 2.526 3 3 -7.1927228803518 2738562 CN1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)OC 1 2.724 3 2 -3.86314927736262 2738559 COC1=C(C=C(C=C1)CC(=O)NCC2=CSC(=N2)C3=CC=CS3)OC 1 3.172 2 3 -17.9926922904324 2738553 COC1=C(C=C(C=C1)CC(=O)NC2=CC=CC=C2N3CCCCC3)OC 1 3.696 2 3 -9.93622007236853 2738552 COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)OC 1 2.466 2 4 -10.0789676281622 2738544 C1=CC=C2C(=C1)N=CC(=N2)C(=O)NC3=CC=C(C=C3)C(=O)N 1 1.509 4 2 0 -9.60862424572944 2738541 CC1=C(C=C(C=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)C 1 3.479 3 1 -5.78870422846226 2738529 C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=NC4=CC=CC=C4N=C3 1 2.476 5 1 0.681491346643438 2738521 CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)CC(C(F)(F)F)O 1 2.915 3 1 4.68898670115865 2738520 C1CN(CCC1C2=CNC3=CC=CC=C32)CC(C(F)(F)F)O 1 3.311 2 1 -0.224667763279416 2738514 CC1=CC(=NN1C)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl 1 3.128 4 1 -1.39831059456893 2738510 CC1=CC(=NN1C)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 0.219 6 1 0 -3.50076140638465 2738507 C1CCN(C1)CCNS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F 1 2.283 2 2 -0.595170019292706 2738506 C1CCN(C1)CCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.005 2 2 -2.36893821603818 2738497 CC1=CC(=NN1C)C(=O)NCC2=CC=CS2 1 1.585 3 1 0 -11.9217346559266 2738493 CC1=CC(=NN1C)C(=O)NCC2=C3C(=CC(=C2)F)COCO3 1 1.639 3 3 0 -9.47778120336189 2738487 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC3=C(C=C2)OCCO3 1 2.883 0 5 -9.96119832090099 2738482 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N(CC3=CC=CC=N3)CC4=CC=CC=N4 1 3.086 4 2 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C1CN2CCC1C(C2)OC(=O)NC3=CC=CC=C3F 1 2.335 2 2 -2.82529668781992 2738281 C1CC(N(C1)C(=O)NC2=CC=CC=C2C(F)(F)F)C3=CN=CC=C3 1 3.017 3 1 -1.56892116460171 2738279 C1CC(N(C1)C(=O)NC2=CC=CC=C2F)C3=CN=CC=C3 1 2.28 3 1 -1.96228664505066 2738278 CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=CN=CC=C3 1 2.355 2 2 -5.35440166404427 2738277 C1CC(N(C1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CN=CC=C3 1 2.811 2 2 -1.45996893734555 2738276 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CN=CC=C3 1 2.534 2 2 -3.53240297345745 2738275 C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=CN=CC=C3 1 2.075 2 2 -4.64252463857902 2738272 C1CCC(CC1)(CC(=O)NCC2=CC=NC=C2)CC(=O)O 1 1.563 2 3 0 -8.743679371272 2738271 C1CCC(CC1)(CC(=O)NCC2=CC=C(C=C2)C(F)(F)F)CC(=O)O 1 3.656 1 3 -4.62390803316367 2738269 COC1=CC=C(C=C1)CNC(=O)CC2(CCCCC2)CC(=O)O 1 2.697 1 4 -8.63264112964011 2738268 C1CCC(CC1)(CC(=O)NCC2=CC=C(C=C2)F)CC(=O)O 1 2.919 1 3 -7.50779789503071 2738239 CCC1=C(NC(=C1C)C)C(=O)OCC2=CC=CC=C2 1 4.228 1 2 -5.31047253779196 2738232 C1=CC(=CC(=C1)NC(=O)NNC(=O)C2=CC=CN2)C(F)(F)F 1 2.107 4 2 2.81913118898669e-002 2738229 CC(C)NC(=S)N1CCCN(CC1)C2=C(C=CC=N2)[N+](=O)[O-] 1 2.894 5 2 0 -14.3676360029414 2738210 CC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C)C 1 1.808 2 2 0 -3.1141368413892 2738200 CC1=C(C(=NO1)C2=CC=CC=C2)CNC(=O)NC3=CC=C(C=C3)C(F)(F)F 1 4.018 3 2 -2.69418456500626 2738199 CC1=CC(=CC(=C1)NC(=O)NCC2=C(ON=C2C3=CC=CC=C3)C)C 1 4.048 3 2 -6.86701204550243 2738198 CC1=C(C(=NO1)C2=CC=CC=C2)CNC(=O)NC3=C(C=C(C=C3)F)F 1 3.487 3 2 -7.10712263910983 2738197 CC1=C(C(=NO1)C2=CC=CC=C2)CNC(=O)NC3=CC(=CC=C3)OC 1 3.059 3 3 -6.44360649331981 2738194 CC1=C(C(=NO1)C2=CC=CC=C2)CNC(=O)NC3=CC=CC=C3 1 3.076 3 2 -6.73963705276014 2738193 CC1=C(C(=NO1)C2=CC=CC=C2)CNC(=O)NC3=CC(=CC=C3)Cl 1 3.74 3 2 -3.63847642215789 2738192 CC1=C(C(=NO1)C2=CC=CC=C2)CNS(=O)(=O)C3=CC(=CC=C3)Br 1 3.619 2 3 -4.01310646511533 2738188 CC1=C(C(=NO1)C2=CC=CC=C2)CNS(=O)(=O)C3=C(C=C(C=C3)OC)OC 1 2.838 2 5 0 -5.953637156234 2738173 CC1=C(C(=NO1)C2=CC=CC=C2)CNS(=O)(=O)C3=CC(=CC=C3)Cl 1 3.535 2 3 -3.42537286836677 2738172 CC1=C(C(=NO1)C2=CC=CC=C2)CNS(=O)(=O)C3=C(C=C(C=C3)F)F 1 3.282 2 3 -3.82843059482755 2738171 CC1=CC=C(C=C1)S(=O)(=O)NCC2=C(ON=C2C3=CC=CC=C3)C 1 3.357 2 3 -4.58037157902793 2738170 CC1=C(C(=NO1)C2=CC=CC=C2)CNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.765 3 5 0 -10.4942258424969 2738169 CC1=C(C(=NO1)C2=CC=CC=C2)CNS(=O)(=O)C3=CC=CC=C3 1 2.871 2 3 -5.58111608597852 2738154 CC1=C(C(=NO1)C2=CC=CC=C2)CNC(=O)C3COC4=CC=CC=C4O3 1 2.941 2 4 -7.43885755206223 2738146 C1CCC(CC1)(CC(=O)NCC2=CC=C(C=C2)Cl)CC(=O)O 1 3.378 1 3 -6.39767622990915 2738145 C1CCC(CC1)(CC(=O)NCC2=CC(=CC=C2)Cl)CC(=O)O 1 3.378 1 3 -6.09693031737967 2738140 C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=CC3=C(C=C2)N=CS3 1 3.64 2 1 -3.91959122062287 2738123 C1=CC=C(C=C1)CSC[C@H](C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N 1 2.215 3 3 -14.2738110616626 2738116 CCCSC(=S)C1=C(NN(C1=O)C2=CC=CC=C2)C 1 3.158 2 1 -7.80781075453493 2738114 CCSC(=S)C1=C(NN(C1=O)C2=CC=CC=C2)C 1 2.634 2 1 -6.90510195698662 2738100 CSCC(CN1C(=O)C2=CC(=C(C=C2C(=O)N1)Cl)Cl)O 1 1.679 2 3 0 -3.20557972811277 2738094 C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F 1 3.834 2 4 -9.71599678342944 2738084 CN1C(C2CCC3=CC=CC=C3C2=N1)C4=CC=C(C=C4)Cl 1 4.332 2 0 2.57520515289613 2738081 CC(C)C1=CC=C(C=C1)NC(=S)N2CCCC(=N2)C3=CC=C(C=C3)F 1 5.927 3 0 -4.27092513088121 2738077 C1=CC2=C(C(=O)NN(C2=O)CCO)N=C1 1 -1.014 3 3 0 3.1019559539057 2738075 CC1=CC(=O)NN(C1=O)CCO 1 -0.897 2 3 0 -1.70171049248102 2738061 CCOC(=O)C1=C(N2C(=C(C1C3=CC=CC=C3)C(=O)OCC)SC(=CC4=CC=CC=C4)C2=O)N 1 3.924 2 5 0 -13.5962027454953 2738053 CC1=CC=C(C=C1)C2=NN(C(=NC3=CC=C(C=C3)OC)SC2)CCO 1 3.86 3 2 0.609612616539765 2738052 CC1=CC=C(C=C1)C2=NN(C(=NC3=CC=C(C=C3)OC(F)(F)F)SC2)CCO 1 5.996 3 2 3.71398147323013 2738051 C1C(=NN(C(=NC2=CC=C(C=C2)OC(F)(F)F)S1)CCO)C3=CC=C(C=C3)[N+](=O)[O-] 1 5.404 4 4 0 1.20813362295918 2738050 COC1=CC=C(C=C1)N=C2N(N=C(CS2)C3=CC=C(C=C3)[N+](=O)[O-])CCO 1 3.268 4 4 0 -1.89623523373119 2738048 CC1=C(C=C(C=C1)Cl)NC(=S)N(C)N 1 3.099 3 0 -3.02575574230591 2737981 COC1=CC2=C(C=C1)C3=C(CC2)NC(=O)C(=C3C4=CC(=CC=C4)OC)C#N 1 3.135 2 3 -0.991529761573732 2737977 C1CN=C(SC1)NC2=CC=C(C=C2)C(F)(F)F 1 3.235 2 0 -3.57760479614341 2737949 CC1=CC=C(C=C1)CNC(=S)N(C)C 1 3.263 2 0 -5.92366341716975 2737945 CC1=CC=C(C=C1)CNC2=NCCS2 1 2.724 2 0 -6.75987474629339 2737943 COC1=CC=CC=C1CN2C(=S)N=NN2 1 2.801 4 1 -4.11589133481707 2737915 CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)N 1 2.324 3 1 5.2067820724757 2737894 C1CC(=NN(C1)C(=S)NC2=CC=CC=C2Cl)C3=CC=CC=C3 1 5.192 3 0 -4.34802144314063 2737890 CC1=CC=C(C=C1)NC(=S)N2CCCC(=N2)C3=CC=CC=C3 1 5.014 3 0 -5.7407782693133 2737888 C1CC(=NN(C1)C(=S)NC2=CC=C(C=C2)F)C3=CC=CC=C3 1 4.733 3 0 -5.02890124384805 2737887 CC(C)(C)C1=NN(C(=NC2=CC=CC=C2)SC1)C 1 3.802 3 0 -0.880345921310429 2737885 CC(C)(C)C1=NN(C(=NC2=CC=C(C=C2)F)SC1)C 1 4.007 3 0 0.5276345770795 2737883 CN1C(=NC2=CC=C(C=C2)OC)SCC(=N1)C3=CC=CC=C3 1 3.913 3 1 -0.67726014262511 2737881 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=CS3)C(=O)C1)C 1 2.053 2 2 -19.2195102268144 2737879 CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3)C(=O)C1)C 1 2.31 2 2 -17.6627907711715 2737878 C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=CS3)C(=O)C1 1 1.595 2 2 0 -18.0601463108584 2737866 CN1C(C2CCCC3=CC=CC=C3C2=N1)C4=CC=C(C=C4)N(C)C 1 4.286 3 0 -1.53095698887394 2737856 C1N(CSC(=S)N1CC2=CN=CC=C2)CC3=CN=CC=C3 1 2.992 4 0 -4.14241283753245 2737853 COC1=CC=C(C=C1)CN2CN(C(=S)SC2)CC3=CC=C(C=C3)OC 1 5.26 2 2 -2.70935128834313 2737851 CC1=CC=C(C=C1)CN2C(SCC2=O)C3=CN=CC=C3 1 2.581 2 1 -8.82572652093748 2737848 CC1=C(C=C(C(=O)O1)NC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 2.69 1 4 -9.46588512765712 2737847 COC1=CC=C(C=C1)CN2C(SCC2=O)C3=CC=CC=N3 1 2.513 2 2 -9.399000363637 2737845 COC1=CC=C(C=C1)CN2C(SCC2=O)C3=CC=NC=C3 1 2.079 2 2 -8.92291942323016 2737842 CN1C(C2CCCC3=CC=CC=C3C2=N1)C4=CC=C(C=C4)F 1 4.329 2 0 1.84220641520397 2737834 C1C(=O)N(C(=O)CO1)CCC2=CNC3=CC=CC=C32 1 0.984 2 3 0 -5.31232117891408 2737815 C1=CC(=CC=C1CNC(=S)NCC2=CC=C(C=C2)F)F 1 4.235 2 0 -4.8116835432564 2737783 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(C#N)C3=CC=C(C=C3)F 1 4.848 1 1 0.324592048233152 2737722 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CNC3=CC=CC=C32 1 3.425 2 2 -6.70216332418423 2737716 COC(CNC(=O)C1CCCCC1C(=O)O)OC 1 0.622 1 5 0 -11.5525862509398 2737693 C1=CC(=CC(=C1)F)NC2=NC=NC(=N2)N 1 1.359 5 0 0 2.38128935207431 2737667 COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OC 1 1.819 2 4 0 -21.6104368120809 2737635 COC(=O)C1=CC2=C(C=C1)NC=C2 1 1.978 1 2 0 -3.3267778761814 2737629 CC(=O)N[C@@H](CC1=CC=C(C=C1)OC(F)(F)F)C(=O)O 1 3.015 1 4 -7.52141706610897 2737608 CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])N 1 1.092 2 4 0 -2.16985440925817 2737539 C1=C(C=C(C=C1Cl)Cl)NC(=S)N 1 3.409 2 0 -0.883335252231268 2737458 C1=CC(=C(N=C1)OC2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.878 2 3 -1.1604592767492e-002 2737457 C1=CC=C(C(=C1)OC2=C(C=CC=N2)[N+](=O)[O-])F 1 2.878 2 3 -1.52363705405658 2737391 C1CN(CCN1)C2=CC=CC3=CC=CC=C32.Cl Cl- 1 2.321 2 0 -0.157016538696003 2737312 CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)N(C)C(=O)C 1 1.387 5 1 0 -6.34845067595469 2737289 C1=CC(=CC=C1CNC(=O)N)F 1 0.952 2 1 0 -4.12068546918636 2737283 C1=CSC(=C1)C2=CC=NC(=S)N2 1 2.488 2 0 -3.78772155625134 2737258 C1=CC(=CC=C1F)S(=O)(=O)CC(=NO)N 1 0.482 2 3 0 -2.23201223267162 2737153 CCOC(=O)C1=CN=C(N=C1C(F)(F)F)N 1 1.4 3 2 0 -3.45275589609965 2737129 C1CC2=[N+](ON=C2C3=CC(=NN=C31)C4=CC=CC=C4)[O-] 1 -0.166 4 2 0 1.10163199223162 2737121 C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)N 1 1.78 2 2 0 -2.10461495440286 2737070 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=NN2 1 1.978 3 2 0 -5.04990675311275 2737056 C1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-] 1 1.219 1 4 0 -4.23315730197139 2737038 C1=CC(=C(N=C1)OC2=C(C=C(C=C2)F)F)[N+](=O)[O-] 1 3.084 2 3 -1.07163415419823 2737029 C1=CC=C2C(=C1)C=CC=C2CC(=NO)N 1 1.842 2 1 0 4.81915371594753 2737021 C1COCCN1C2=NC=C(C=C2)C#N 1 0.327 3 1 0 -2.18098493994473 2736949 CN1C(=NN=C1SCC(=O)O)C2=CC3=C(C=C2)N=CC=C3 1 2.076 4 2 -8.00513134405293 2736920 CC1=NN=C2C=CC3=[N+](ON=C3C2=C1)[O-] 1 -1.289 4 2 0 3.80587055678643 2736906 COC(=O)CN1N=C(N=N1)N2CCOCC2 1 -0.657 5 3 0 -7.65097694945452 2736877 C1=C(C=C(C(=C1Cl)C(=S)N)Cl)C(F)(F)F 1 3.971 1 0 1.8697081127295 2736871 CC1=NN(C2=NC=C(C(=C12)OC)C(=O)OC)C 1 0.849 3 3 0 -5.09189956034291 2736853 COC1=C(C=C(C=C1)C(=O)OC)OC2CCCC2 1 3.054 0 4 -8.73244389180307 2736807 COC(=O)C1=C(C=C(S1)C2=CC=CS2)N 1 2.655 1 2 -4.39228109940488 2736769 COC1=CC=C(C=C1)C2C3=C(CCN2)SC=C3 1 2.705 1 1 -9.29785980507395 2736758 COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)O 1 0.715 1 4 0 -8.6898501188502 2736742 C1=CC(=CC(=C1)N2C=C(C(=O)NC2=O)C#N)C(F)(F)F 1 1.552 3 2 0 -3.94474709844037 2736701 C1=C(C=NC(=C1Cl)C(=S)N)C(F)(F)F 1 2.584 2 0 1.90995135530891 2736692 CC(C)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-] 1 2.923 2 2 -3.34183958664823 2736671 CC(=O)NC1=C(C=C(C=C1)C(F)(F)F)Cl 1 2.557 1 1 0.133799975451529 2736560 COCC1=CC(=O)N=C(N1)C2=CC=CC=C2 1 0.951 2 2 0 -6.79134682652962 2736527 C1=C2C(=CC(=C1F)Cl)N=CN2 1 2.215 2 0 -1.05318543815256 2736515 CCCCC#CC1=CC(=CN=C1)C(=O)NN 1 1.634 3 1 0 -1.33550751278641 2736478 CCOC(=O)C1=NNC(=C1)C2=CC=CS2 1 2.669 2 2 -3.59744078006516 2736441 CCOC(=O)C1=CNC(=S)N1C 1 0.849 2 2 0 -6.30138804640406 2736420 CCOC(=O)C1=C(N2C(=CC(=N2)C)N=C1)C 1 0.872 3 2 0 -7.58669059984784 2736417 CCOC(=O)C1=C(N=C2N1C=C(C=C2)C)C 1 1.971 2 2 0 -3.92580942610199 2736354 CCC12CC3CC(C1)CC(C3)(C2)C(=O)O 1 3.013 0 2 -0.631946616437818 2736308 CC1=C(C(=C(O1)C)S(=O)(=O)NCC2=CC=CS2)C(=O)O 1 1.089 1 5 0 -7.4216702238112 2736289 CC1=CC(=C(N1CC2=CC=NC=C2)C)C(=O)O 1 1.483 2 2 0 -7.17453622754163 2736210 COC1=NC(=NC(=C1)C(=O)O)OC 1 1.136 2 4 0 -9.69267156169305 2736195 CON1C2CCCCC2N(C(=O)C1=O)OC 1 8.e-002 2 4 0 -1.62695321743046 2736163 CSC1=NN2C(=CC(=NC2=C1C(=O)N)C(F)(F)F)C(F)(F)F 1 2.927 4 1 -8.429152267243 2736155 C1=CC2=C(C=C1C(F)(F)F)C(=O)C=C(N2)C(F)(F)F 1 3.327 1 1 1.19846305758565 2736023 C1=CC(=C(C=C1Cl)Cl)OCC(=NO)N 1 2.063 2 2 3.73399140746458 2736012 C1=CC(=C(C(=C1)Cl)CN(CC2=C(C=CC=C2Cl)F)O)F 1 4.632 1 1 -1.24761031652286 2735929 COC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)N 1 3.569 1 2 6.27433706200637 2735921 C1=CC(=C(N=C1)OC2=CC=C(C=C2)F)N 1 2.237 2 1 1.78971129364688 2735920 C1=CC=C(C(=C1)OC2=C(C=CC=N2)N)F 1 2.237 2 1 0.277678832357793 2735906 C1=CC(=C(N=C1)OC2=C(C=C(C=C2)F)F)N 1 2.443 2 1 0.729681732216137 2735879 C1=C(C=C(C=C1C(F)(F)F)NC2=NC=NC(=N2)N)C(F)(F)F 1 3.038 5 0 1.89156376973484 2735805 C1=CC(=CC=C1C2=CC=NC(=S)N2)Cl 1 3.199 2 0 0.664713036715797 2735804 C1=CC(=CC=C1C2=CN=CN=C2N)Cl 1 2.026 3 0 5.13434823108267 2735803 C1=CC=C(C=C1)C2=NNC(=O)C=C2Cl 1 1.816 2 1 0 -4.57494091899741 2735746 CC(C)N1C2=C(C=C(C=C2)Cl)NC1=S 1 4.281 2 0 0.326443956188075 2735686 CC(C)(C)C1=NN(C(=O)C1)C 1 1.092 2 1 0 -3.49241443438964 2735679 CC1=C(C=C(N1CCSC)C(C)(C)C)C(=O)O 1 3.21 1 2 -6.76154027589714 2735670 CC1=C(C=C(N1CCSCCO)C(C)(C)C)C(=O)O 1 2.671 1 3 -6.68965728576893 2735667 CC(C)(C)C1=NN(C(=C1)C(=O)NN)CC2=C(C=C(C=C2)Cl)Cl 1 4.022 4 1 -2.67625029345842 2735666 CC(C)(C)C1=NN(C(=C1)C(=O)O)CC2=C(C=C(C=C2)Cl)Cl 1 5.142 2 2 -1.5951658324428 2735646 CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N 1 0.628 2 3 0 -6.77690201036301 2735634 CC(C)(C)OC(=O)NCC1=NNC(=S)N1C2CC2 1 1.561 4 2 0 -14.1060563667572 2735618 C1=CC=C(C(=C1)NC(=S)N)Br 1 2.828 2 0 -2.93829714005784 2735473 C1=CC=C(C=C1)C(=O)NC(=S)N 1 1.479 2 1 0 -5.45310963270343 2735510 C[N+](C)(C)CC=O.[Cl-] Cl- 1 -1.532 1 1 0 -3.25066806850785 2735324 CC1=NN(C(=C1[N+](=O)[O-])N)C 1 3.4e-002 4 2 0 -0.966644826769505 2735302 C1=C(C2=NON=C2C(=C1N)[N+](=O)[O-])Cl 1 1.212 4 3 0 5.44038304999504 2735289 CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)N 1 3.432 2 1 5.00861380088313 2735277 C=CCN1C(=NNC1=S)C2=CC3=C(C=C2)N=CC=C3 1 2.905 4 0 -4.50391557526192 2735273 C=CCNC(=S)NCCO 1 0.735 2 1 0 -11.6752248107642 2735255 CC1=C(N2C=CC=CC2=N1)C(=O)C 1 1.021 2 1 0 -4.14844090456171 2734969 C1[C@H](NC(=O)O1)CC2=CC=CC=C2 1 1.768 1 2 0 -1.48565655554818 2734799 C1=CC(=CC(=C1)F)NC(=S)N 1 2.286 2 0 -1.9714787664071e-002 2734794 C1=CC(=CC(=C1)Cl)NC(=S)N 1 2.744 2 0 0.938148803410927 2734733 C[C@H]1[C@@H]([C@H](C=CO1)OC(=O)C)OC(=O)C 1 0.105 0 5 0 -8.4030883702457 2734640 C1CN(CCN1)CCN2CCOCC2 1 -0.433 3 1 0 -8.07566557510859 2734449 C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)Br)C(=O)O 1 5.231 1 4 -9.43913984144486 2734267 C1COCCOCCOC2=C(C=CC(=C2)Br)OCCOCCO1 1 1.84 0 6 0 -1.33229014931372 2734264 CC(=O)C1=CC2=C(C=C1)OCCOCCOC3=C(C=CC(=C3)C(=O)C)OCCOCCO2 1 2.449 0 8 0 -7.14254043774685 2734207 C1=CC(=C(C=C1F)F)NC(=S)N 1 2.491 2 0 -1.14798846899343 2733920 C1[C@H](NC2=CC=CC=C21)C(=O)O 1 1.33 1 2 0 -6.92217269492852 2733867 CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N)N=C2C=C1)C4=CC=CC=C4.[Cl-] Cl- 1 5.23 4 0 -1.38974360290341 2733779 CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 1 0.174 0 8 0 -17.1984103281468 2733707 CC(C)(C)OC(=O)C(C)(C)ON=C(C1=CSC(=N1)N)C(=O)O 1 1.565 3 5 0 -5.83273437074199 2733681 C1CCC(CC1)C(CC(=O)O)N 1 -1.18 1 2 0 -6.29569313720839 2733673 COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC3=CC=CC=C3S2)O 1 2.37 1 3 -4.49674575992308 2733501 CC1CCN=C(S1)N.Cl Cl- 1 0.888 2 0 0 -3.45130421717915 2733484 C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCC3=CC=C(C=C3)Cl)O)O 1 5.393 2 2 -8.4148585159681 2733448 C1CNC(C2=CC=CC=C21)C(=O)O.Cl Cl- 1 -1.646 1 2 0 -6.96431443955701 2733401 COC1=C(C=C(C=C1)C(=O)O)F 1 1.648 0 3 0 -1.9665888972631 2733295 CC(=O)NC(CC1=CC=C(C=C1)F)C(=O)O 1 1.1 1 3 0 -9.50094268818994 2733277 COC(=O)C(CC1=CC=C(C=C1)Cl)N.Cl Cl- 1 1.763 1 2 0 -2.49299291507852 2733208 COC(=O)[C@H](CS)N.Cl Cl- 1 -0.374 1 2 0 -7.1226403391395 2733073 C1=CC=C2C(=C1)C=C(O2)CC(=O)NCC3=CC=C(C=C3)F 1 3.456 1 2 -3.06712476102768 2733071 C1C(=O)N(C(S1)C2=CC=NC=C2)CC3=CC=C(C=C3)F 1 2.301 2 1 -7.79807618862077 2733053 CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CS3 1 3.34 1 2 2.37945439343096 2733047 C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC3=CC=CS3 1 2.854 1 2 2.02075697176395 2733030 C1C(=O)N(CC(=O)N1C2=CC(=CC(=C2)Cl)Cl)N=CC3=CN=CC=C3 1 1.931 4 2 0 -1.45730668229533 2733017 CCOC(=O)CNC1=CC=C(C=C1)OC(F)(F)F 1 3.814 1 3 -4.85408038293638 2733009 CCN1CCC2(CC1)NC(=O)C3=CC=CC=C3O2 1 1.835 2 2 0 -0.49516985717638 2733001 CC1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=CC=C(C=C2)N 1 3.833 2 2 0.74998155689607 2732978 CC1(N(N=C(S1)NC2=CC=CC=C2)C(=O)C(C)(C)C)C 1 3.251 3 1 -7.84212110251001 2732963 C1=CC=C(C(=C1)CC(=O)NC2(C(=O)C3=CC=CC=C3C2=O)O)Cl 1 2.484 1 4 -5.72681504395144 2732950 CNNC(=S)NCCC1=CCCCC1 1 2.421 3 0 -10.7472372339327 2732945 CCOC(=O)C(C)C1=CC2=C(C=C1)C=C(C=C2)OC 1 3.423 0 3 -2.53276214702122 2732930 CCOC(=O)C1CSC(C(=O)N1)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 3.004 2 5 0 -13.659244931808 2732927 CC1=CC(=O)N2COCSC2=N1 1 0.826 2 2 0 -7.80910135573607 2732926 C1N2C(=O)C=CN=C2SCO1 1 0.312 2 2 0 -2.36500461794995 2732922 C1COC2(O1)C3=C(C=CC(=C3)Br)NC2=O 1 1.268 1 3 0 -6.82924092811221 2732914 C1=CC=C2C(=C1)C(=O)C(=C3C4C(C(N3)C5=CC=CC=N5)C(=O)N(C4=O)C6=CC=C(C=C6)OC(F)(F)F)C2=O 1 4.241 3 5 0 1.62039795920417 2732901 C1=CC=C(C=C1)C(=NNC(=O)C2=CC=C(C=C2)Cl)C(=O)O 1 3.104 2 3 -5.66509982454294 2732893 CN1C2=NC(=NC=C2C(=O)N(C1=O)C)C3=CC=C(C=C3)C(F)(F)F 1 2.299 4 2 0.596002580585465 2732887 C1C2(COC3N2C(O1)C4=CC=CC=C34)CO 1 0.777 1 3 0 -1.12697169773486 2732882 C1=CC=C(C=C1)CC(=O)NC2(C(=O)C3=CC=CC=C3C2=O)O 1 1.82 1 4 0 -6.29346200457519 2732881 C1=CC=C2C(=C1)C(=O)C(C2=O)(NC(=O)C3=CC=C(C=C3)C(F)(F)F)O 1 2.727 1 4 -1.66194876583737 2732863 C1=CSC2=C1NC(=O)N(C2=O)CCO 1 0.184 2 3 0 -5.5108553386134 2732862 CC1=CSC2=C1NC(=O)N(C2=O)CCO 1 0.67 2 3 0 -5.21914819971101 2732856 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSCC(=O)O 1 0.623 1 7 0 -18.7062251769409 2732853 C1CN=C(SC1)NC2=CC=C(C=C2)OC(F)(F)F 1 4.413 2 1 -4.48196903592948 2732846 C1COCCN1C2=CC=CC=C2OC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 5.14 2 4 0.6556388795006 2732845 C1CCN(CC1)C2=CC=CC=C2OC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 6.369 2 3 2.24472500221337 2732842 C1=CC(=CC=C1NC(=S)NN)OC(F)(F)F 1 3.862 3 1 -0.758510271987054 2732837 C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)OC(F)(F)F)OC(F)(F)F 1 8.606 2 2 -1.44288581378477 2732832 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCOCC2 1 3.535 2 2 -10.9891157050955 2732807 CC1=CC=C(C=C1)N/C=C/2\C(=O)N(C(S2(=O)=O)C3=CN=CC=C3)C4=C(C=C(C=C4)F)F 1 3.208 3 3 -3.60317005119731 2732805 CN(C)/C=C/1\C(=O)N(C(S1(=O)=O)C2=CN=CC=C2)C3=C(C=C(C=C3)F)F 1 1.403 3 3 0 -3.94279289866325 2732796 CC1=C(C=C(C=C1)NC(=O)C2CCCCC2C(=O)O)C 1 3.233 1 3 -3.94933284148288 2732795 CN1C(=C(C(=O)N(C1=O)C)C(C[N+](=O)[O-])C2=C(C=CC=C2F)OC)N 1 1.047 4 5 0 -12.1420879179803 2732794 CN1C(=C(C(=O)N(C1=O)C)C(C[N+](=O)[O-])C2=C(C(=C(C=C2)N(C)C)C#N)F)N 1 1.104 6 4 0 -15.5768732945279 2732793 CC(C(C1=CC=CC=C1OC)C2=C(N(C(=O)N(C2=O)C)C)N)[N+](=O)[O-] 1 1.219 4 5 0 -11.7844983655138 2732792 CC(C(C1=CC2=C(C=C1)OCO2)C3=C(N(C(=O)N(C3=O)C)C)N)[N+](=O)[O-] 1 1.003 4 6 0 -9.59646018920738 2732791 CC(C(C1=CC=CS1)C2=C(N(C(=O)N(C2=O)C)C)N)[N+](=O)[O-] 1 1.045 4 4 0 -8.68256261901236 2732790 CC(C(C1=CC(=CC=C1)OC)C2=C(N(C(=O)N(C2=O)C)C)N)[N+](=O)[O-] 1 1.219 4 5 0 -9.10481250358935 2732789 CN1C(=C(C(=O)N(C1=O)C)C(C[N+](=O)[O-])C2=C(C=CC(=C2)Br)OC)N 1 1.59 4 5 0 -10.8153134285828 2732785 C1=CC=C2C(=C1)C(=CS2)CNC(=O)COCC(=O)O 1 1.037 1 4 0 -12.3774869927685 2732783 COC1=CC=CC=C1NC2=NC(CS2)(CO)CO 1 1.02 2 3 0 0.658067228797935 2732777 CC1=CC(=C(C(=C1)C)NC(=S)NC(CO)(CO)CO)C 1 2.237 2 3 -4.91492400385089 2732748 CC1(CCC(=O)N(C1=O)C2=CC=C(C=C2)OC(F)(F)F)C 1 4.445 1 3 0.893627725067111 2732737 C1C(C(=O)N(C1=O)C2=CC=CC=C2)SCCC(=O)O 1 1.22 1 4 0 -7.95236853058201 2732729 COC1=CC(=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)OC 1 3.203 0 4 -3.66961951205542 2732719 CN1C(C2CCC3=CC=CC=C3C2=N1)C4=CC=C(C=C4)F 1 3.873 2 0 1.46508348777456 2732715 CN1C(C2CCC3=CC=CC=C3C2=N1)C4=CC=C(C=C4)C(F)(F)F 1 4.61 2 0 4.3489733496416 2732697 CN1C=C(C(=O)C2=CC=CC=C21)C3=CC=CC=C3C(=O)N 1 2.047 2 2 -4.0630321600756 2732681 CC1=CC=C(O1)C=NNC2=NC(=O)CS2 1 1.491 3 2 0 -7.6088830352677 2732667 COC1=CC(=CC(=C1)N2C(=O)CSCC2=O)OC 1 1.074 1 4 0 -5.81040482924404 2732655 COC1=C(C=C(C=C1)Cl)N2C(=O)C3=C(C2=O)N=CC=C3 1 2.364 2 3 -2.13134151008186 2732654 COC1=C(C=C(C=C1)Cl)N2C(=O)CC(C2=O)SC3=CC=CC=C3N 1 2.969 2 3 1.58130279639909e-002 2732646 CC1=C(C=C(C=C1)Cl)NC(C#N)C2=CC=CC=C2 1 4.238 2 0 -0.96396628863406 2732635 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.362 2 5 0 -3.97277663260295 2732632 CC1=CC(=C(C=C1)N=C2N(C(=O)CS2)CCC3=CC(=C(C=C3)OC)OC)C 1 4.932 2 3 -8.56903230220304 2732618 CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)N3CCSCC3 1 2.42 2 2 2.99609824743975 2732617 CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)N3CCSCC3)C 1 2.42 2 2 2.78387080742062 2732615 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCOCC3 1 0.687 2 4 0 0.826018551758817 2732613 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCCCC3 1 1.916 2 3 0 2.67232595246391 2732609 C1COCCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl 1 1.368 2 3 0 3.06098345148978 2732608 C1CSCCN1C2CC(=O)N(C2=O)C3=CC=CC=C3 1 1.448 2 2 0 3.73806399835886 2732594 C1C(=O)N(C(S1)C2=CC=CC=N2)C3=CC=C(C=C3)C(F)(F)F 1 3.464 2 1 -6.8297149728473 2732579 C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2CCC(=O)O 1 3.382 0 4 -12.430438915689 2732578 CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2CCC(=O)O 1 4.783 0 4 -8.88824420205593 2732577 C1=CC(=CC(=C1)Cl)CNC(=O)N 1 1.411 2 1 0 -2.70981789153532 2732576 CN1C(=C(C(=O)N(C1=O)C)C(C[N+](=O)[O-])C2=C(C=CC=C2Cl)F)N 1 1.728 4 4 0 -10.4778348543815 2732574 CN1C(=C(C(=O)N(C1=O)C)C(C[N+](=O)[O-])C2=CC=CC=C2OC)N 1 0.841 4 5 0 -13.5631299421697 2732573 CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(N(C(=O)N(C2=O)C)C)N 1 1.344 4 4 0 -10.8485228212316 2732572 CN1C(=C(C(=O)N(C1=O)C)C(C[N+](=O)[O-])C2=CC=CC=C2Cl)N 1 1.522 4 4 0 -11.1868658761205 2732568 C1CSCCN1C(=S)C2=CC=CC=C2 1 3.1 1 0 -3.32520713456527 2732560 CCC1=CC=CC(=C1N2C(=O)CC(CC2=O)(C)C)C 1 3.332 1 2 -5.50929736215263 2732559 CCC1=CC=CC(=C1NC(=O)CC(C)(C)CC(=O)O)C 1 3.138 1 3 -9.63583929390366 2732547 CC1=CC=C(C=C1)N2C(C3=CC=CC=C3C2=O)C(=O)C4=C(C=CC(=C4)OC)O 1 4.193 1 4 -4.88861231492731 2732546 CC1=CC=C(C=C1)N2C(C3=CC=CC=C3C2=O)C(=O)C4=C(C(=C(C=C4)C)C)O 1 5.181 1 3 -3.50445337012581 2732545 CC1=C(C(=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)O)O)C 1 2.949 0 4 1.7566249806279 2732543 CC1=CC(=C(C(=C1)C2(C(=O)C3=CC=CC=C3C2=O)O)O)C 1 2.949 0 4 0.656278471003839 2732541 CC1=CC=C(C=C1)N2C(C3=CC=CC=C3C2=O)C(=O)C4=C(C=CC(=C4)C)O 1 4.695 1 3 -3.36560975526812 2732537 CC(C)(C)C1=CC=CC(=C1O)C2(C(=O)C3=CC=CC=C3C2=O)O 1 3.377 0 4 1.51612984807161 2732531 CC(C(C1=CC=CC=C1)SC2=CC=CC=C2N)[N+](=O)[O-] 1 3.724 2 2 -4.34294394488924 2732518 COC1=CC=C(C=C1)N2C(=O)CSC23C4=CC=CC=C4NC3=O 1 2.221 2 3 -7.26861532200661 2732488 CC1=C(C=C(C=C1)Cl)N2C(=O)CC(CC2=O)(C)C 1 3.054 1 2 -2.80076235637628 2732481 CC1(CC(=O)N(C(=O)C1)C2=CC(=C(C=C2)Cl)Cl)C 1 3.233 1 2 -4.50165019516702 2732480 CC(C)(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)CC(=O)O 1 3.038 1 3 -5.26723415046087 2732479 CC1(CC(=O)N(C(=O)C1)C2=C(C=CC(=C2)Cl)Cl)C 1 3.233 1 2 -1.73599274119303 2732477 CC1(CC(=O)N(C(=O)C1)C2=C(C=C(C=C2)Cl)Cl)C 1 3.233 1 2 -2.15316205099244 2732475 CC1(CC(=O)N(C(=O)C1)C2=CC(=CC=C2)Cl)C 1 2.568 1 2 -1.92349982590083 2732468 C1C(=O)N(C(S1)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=N3 1 3.956 2 1 -7.53383240329011 2732465 COC1=CC=C(C=C1)CNC(=C2C(=O)C3=CC=CC=C3C2=O)C#N 1 2.399 2 3 -5.1217362473553 2732456 C1CC(CC=C1)C2C(CCC(=O)N2)[N+](=O)[O-] 1 1.54 2 3 0 -8.01979218566222 2732432 C1C(=O)N(C(S1)C2=CC=CC=C2O)CC3=CC=CC=C3 1 3.004 1 2 -6.79775200336217 2732430 C1=CC=C2C(=C1)C(=CS2)CNC(=O)NC3=CC(=CC(=C3)Cl)Cl 1 4.72 2 1 -4.2589538892793 2732426 CC(=NNC(=S)N)C1=CC=NC=C1 1 0.629 4 0 0 -5.10037553683308 2732424 CCOC(=O)C1=C(NC(=S)NC1C2=CC=CS2)C 1 2.548 2 2 -27.6318170566309 2732409 CCC1(CC(=O)N(C(=O)C1)C2=CC=C(C=C2)C(=O)OCC)C 1 2.564 1 4 -10.6379958680717 2732407 CCC1(CC(=O)N(C(=O)C1)C2=CC(=C(C=C2)F)Cl)C 1 3.23 1 2 -3.8801376686289 2732402 CCC(C)(CC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)CC(=O)O 1 4.05 1 3 -6.43322419419693 2732399 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=CC=C(C=C3)C(C)(C)C 1 6.377 3 2 -8.41443112106368 2732398 CCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 5.919 3 2 -11.2320034059541 2732374 CC1=C(C(=CC=C1)C)N2C(=O)CCC(C2=O)(C)C 1 3.298 1 2 -2.40082429369267 2732369 CC(C)(CC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)CC(=O)O 1 3.594 1 3 -5.66928583381365 2732368 CC1(CC(=O)N(C(=O)C1)C2=CC(=CC(=C2)Cl)Cl)C 1 3.233 1 2 -3.66196422627296 2732355 CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)SC(=O)C 1 2.247 1 3 -3.92572512851404 2732349 C1CC(=O)N(C(=O)C1)C2=CC=C(C=C2)F 1 1.651 1 2 0 -5.06299872252452 2732348 COC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC3=CC=C(C=C3)Cl 1 3.722 1 3 -0.917582613177881 2732343 COC1=CC(=CC(=C1OC)OC)C2C(=CC3=CC=CC=C3O2)[N+](=O)[O-] 1 3.34 1 6 0 -3.35862210965691 2732336 CC1=CC2=C(C=C1)N3C(=O)C4C5CC(C4C3(OC2=O)O)C=C5 1 2.489 1 4 1.80309219705199 2732335 C1C2C=CC1C3C2C(=O)N4C3(OC(=O)C5=CC=CC=C54)O 1 2.003 1 4 1.12939932288812 2732331 CC1CC(=O)N(C(=O)C1)C2=CC=C(C=C2)Br 1 2.446 1 2 -3.13700241480956 2732330 CC(CC(=O)NC1=CC=C(C=C1)Br)CC(=O)O 1 2.252 1 3 -7.87381028017662 2732323 CC1CC(=O)N(C(=O)C1)C2=CC=C(C=C2)C 1 2.184 1 2 -3.50234136029494 2732321 CC(CC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)CC(=O)O 1 3.388 1 3 -6.86770438087589 2732314 CCOC(=O)CCN1C2=CC=CC=C2N(C1=S)CCC(=O)OCC 1 3.852 2 4 -8.50255291561761 2732307 C1CC1CNC(=O)C2=CC=CC=C2Cl 1 2.522 1 1 -7.93189567007289 2732306 C1CC1CN2C(SCC2=O)C3=CN=CC=C3 1 1.332 2 1 0 -9.65212113566426 2732297 C1=C(C=C(C=C1C(F)(F)F)NC(=O)COCC(=O)O)C(F)(F)F 1 2.053 1 4 -6.29299347834834 2732288 C1CC1CN2CN(C(=S)SC2)CC3CC3 1 3.767 2 0 -4.40290026121473 2732284 CC1=CC(=NO1)N2C(=O)C3C4CC(C3C2=O)C=C4 1 0.825 2 3 0 -3.36119093100336 2732283 CC1=CC(=NO1)NC(=O)C2C3CC(C2C(=O)O)C=C3 1 0.631 2 4 0 -12.0770159282237 2732263 C1=CSC(=C1)CCNC(=O)C2=CC=C(C=C2)Cl 1 3.274 1 1 -7.87536892715017 2732237 C1=CC=C(C(=C1)C2C(=O)C3=CC=CC=C3C2=O)F 1 3.025 0 2 -2.85373824046867 2732235 CC1=C(C(=CC=C1)C)NC2=NN=C(O2)CC3=CC(=C(C=C3)OC)OC 1 3.558 3 3 -10.9473653921695 2732233 CC1=CC=C(C=C1)NC2=NN=C(O2)CC3=CC(=C(C=C3)OC)OC 1 3.071 3 3 -9.33872423772394 2732231 CC1=C(C=C(C=C1)NC2=NN=C(O2)C3=CC=CC=C3N)C 1 2.809 4 1 -1.11434738883545 2732229 C1=CC(=CN=C1)C=NNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl 1 2.564 3 2 -0.239098013629984 2732209 COC1=C(C=C(C=C1)CC(=O)NN=CC2=CC=CS2)OC 1 2.638 2 3 -10.3501104039205 2732206 C1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2N 1 3.347 2 2 -5.32661925755948 2732124 C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Cl 1 4.293 2 4 -8.60587511830787 2732123 CN(C)/C=C(\C#N)/C(=O)OC 1 1.4e-002 2 2 0 -5.97178531348911 2732121 CC(C)C1=CC=C(C=C1)N2C(=O)/C(=C/N(C)C)/SC2=S 1 3.84 2 1 -4.79160079670602 2732119 CN(C)/C=C\1/C(=O)N(C(=S)S1)C2=CC=C(C=C2)F 1 2.852 2 1 -4.36318346789241 2732118 CN(C)/C=C\1/C(=O)N(C(=S)S1)C2=CC=C(C=C2)Br 1 3.394 2 1 -4.70972154787228 2732108 COC1=CC=C(C=C1)NC(=O)CC(CC(=O)O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.47 1 7 0 -11.8134425964647 2732103 C1=CC(=C(C=C1NC(=O)CC(CC(=O)O)C2=C(C=C(C=C2)Cl)Cl)Cl)F 1 4.734 1 3 -4.03226777307319 2732089 C1=CC(=CC(=C1)Cl)C=N/C(=C(\C#N)/N)/C#N 1 1.305 4 0 0 0.493321308472637 2732088 C1C(=O)NC(S1)C2=CC=CC=C2F 1 1.662 1 1 0 -8.26823035886711 2732077 CC(C)CCSC1=NN=C(S1)N 1 2.221 3 0 -8.40251070574121 2732055 CC1=CC(=C(C=C1)N2C(SCC2=O)C3=CN=CC=C3)Cl 1 3.239 2 1 -6.60152122496952 2732049 CCCNC(=O)CC1=C(OC2=CC=CC=C21)C 1 2.394 1 2 -9.18839359738312 2732048 CC1=C(C2=CC=CC=C2O1)CC(=O)NCCCN(C)C 1 1.723 2 2 0 -7.7460146022153 2732038 CC1=C(C2=CC=CC=C2O1)CNC(=O)N(C)C 1 1.608 2 2 0 -1.8713462861599 2732023 C1C(=O)N(C(S1)C2=CN=CC=C2)CCC3=CC=CC=N3 1 1.408 3 1 0 -12.4722259660462 2732022 C1C(=O)N(C(S1)C2=CN=CC=C2)CC3=CC(=C(C=C3)Cl)Cl 1 3.424 2 1 -7.26600158732104 2732021 C1C(=O)N(C(S1)C2=CN=CC=C2)CC3=CN=CC=C3 1 0.944 3 1 0 -10.1460509417361 2732010 CCCCCCCCCCCCN1C(SCC1=O)C2=CN=CC=C2 1 5.49 2 1 -10.9485113736603 2732003 CC1(CC(=CC(=O)C1)OC(=O)C2=CC=C(C=C2)Cl)C 1 3.414 0 3 -10.3893157209826 2732002 C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)SCC(=O)O 1 6.294 3 2 -10.5362430536621 2731999 C1=CC=C2C(=C1)C=CC=C2CC(=O)NNC(=O)NC3=CC=C(C=C3)Cl 1 3.387 3 2 -4.22386497356527 2731987 CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(C)(C)C 1 3.084 3 2 -10.6124663215937 2731986 CC(C)(C)NNC(=S)NC1=CC=CC(=C1)C(F)(F)F 1 3.822 3 0 -1.10441583306859 2731984 CC1=CC=C(C=C1)NC(=S)NNC(C)(C)C 1 3.366 3 0 -5.31682058776785 2731967 CCOC1=CC=C(C=C1)N2C(=NN=N2)SCC#C 1 3.325 4 1 -17.1696024916583 2731964 CC1=CC(=C(C(=C1)C)N2C(=S)N=NN2)C 1 4.784 4 0 -3.58635386856548 2731962 C#CCSC1=NN=NN1C2=CC(=CC=C2)Cl 1 3.657 4 0 -12.1027285075547 2731956 C1=CC(=CC=C1CSC2=NN=C(S2)C3=CC=NC=C3)Cl 1 3.868 3 0 -3.85255019449197 2731955 C1=CC(=C(C(=C1)Cl)CSC2=NN=C(S2)C3=CC=NC=C3)Cl 1 4.532 3 0 -6.16644611746541 2731954 C1C(=O)N(C(S1)C2=CN=CC=C2)CC3=CC=C(C=C3)Cl 1 2.76 2 1 -7.00372783035067 2731953 C1C(=O)N(C(S1)C2=CN=CC=C2)CC3=C(C=C(C=C3)Cl)Cl 1 3.424 2 1 -5.87903977777559 2731942 CC(C)(CO)NC(=O)C1=C(C=CC(=C1)OC)Br 1 1.813 1 3 0 -6.28649007247484 2731933 C1=CC=C2C(=C1)C(=O)C(=C(C#N)NCC3=CN=CC=C3)C2=O 1 1.264 3 2 0 -7.32905366514524 2731899 CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)F 1 4.885 1 1 -2.8407569029062 2731891 CC(C)(C)C1=CC=C(C=C1)N2C(SCC2=O)C3=CN=CC=C3 1 3.489 2 1 -7.89312343081805 2731887 C1C(=O)N(C(S1)C2=CC=CC=C2)C3=CN=CC=C3 1 2.088 2 1 -11.7437235353547 2731886 C1C(=O)N(C(S1)C2=CN=CC=C2)C3=CC=CC=C3 1 2.088 2 1 -10.8299550015964 2731885 C1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)C3=CN=CC=C3 1 2.753 2 1 -9.3719769339829 2731884 C1C(=O)N(C(S1)C2=CN=CC=C2)C3=CC=C(C=C3)Cl 1 2.753 2 1 -8.64925888934254 2731872 C1C(=O)N(C(=S)S1)C2=CC(=CC=C2)Br 1 3.475 1 1 -0.120483475048398 2731839 CCOC(=O)C1=C(NN=C1NN=CC2=CN=CC=C2)C 1 0.993 5 2 0 -3.73179615971338 2731813 COC1=CC=CC=C1C2C(CCC(=O)N2)[N+](=O)[O-] 1 1.363 2 4 0 -11.0962971405154 2731811 CC1=C(C=C(C=C1)Cl)NC(=S)NN=CC2=CC=CC3=CC=CC=C32 1 6.145 3 0 -0.792367310299141 2731806 CC1=CC=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-] 1 1.866 2 3 0 -8.25723418819495 2731805 C1CC(=O)NC(C1[N+](=O)[O-])C2=CC=C(C=C2)Cl 1 2.044 2 3 -6.43523549760813 2731803 CC(C1=CC=CC=C1O)NCC2=CC=CC=C2 1 3.086 1 1 5.37356596191817 2731799 CC(C)(C)NNC(=S)NC1=CC(=CC=C1)F 1 3.085 3 0 -3.52581492213741 2731779 CC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)C(C)C 1 5.844 2 0 -6.96517622017696 2731778 CC(C)N(CC1=CC=CC=C1)C(=S)NC2=CC=CC=C2F 1 5.563 2 0 -7.5185680502105 2731753 C1=CC=C(C(=C1)C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O 1 2.534 2 6 0 -3.56537488814333 2731746 C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC3=CC=CC=C3C(=O)O 1 2.697 1 4 -1.12653464075601 2731744 CNNC(=S)NC1CC2CC1C3C2CC=C3 1 1.839 3 0 0 -4.68163408424101 2731723 C1=CC=C2C=C3C(=CC2=C1)C(=CC(=N3)C4=CC=CO4)C(=O)O 1 3.896 1 3 1.87705046225329 2731713 C1=CC(=CN=C1)C(CC(=O)C2=CC=C(C=C2)Br)CC(=O)C3=CC=C(C=C3)Br 1 5.276 1 2 -4.76416607224889 2731705 CC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)NC(=O)C)C(=O)O 1 3.199 2 3 -3.94566268119687 2731699 C1=COC(=C1)CNC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl 1 5.502 2 2 -5.13865667649991 2731698 C1=CC(=CN=C1)CNC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl 1 5.169 3 1 -5.50805940236667 2731672 CC(=C)CCC1(NC(=O)N(N1)C2=CC=CC=C2)C 1 2.199 3 1 -1.69194729815712 2731666 CN(C)C(=S)NC1=CC=C(C=C1)[N+](=O)[O-] 1 2.942 3 2 -7.40708370762624 2731658 C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 3.154 3 4 0 -1.7450130421229 2731657 CC1=CC=C(C=C1)NC(=S)N2CCCCCC2 1 4.907 2 0 -10.6197365749369 2731623 CC1=CC=C(C=C1)C2N(C(CS2)C(=O)O)C(=O)C 1 1.898 1 3 0 -9.43364357914208 2731611 CC(=O)NC1=CC=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-] 1 0.5 3 4 0 -13.3364239225791 2731609 COC1=CC(=CC(=C1OC)OC)C2C(CCC(=O)N2)[N+](=O)[O-] 1 1.33 2 6 0 -13.252445151453 2731592 C1COC2=C(O1)C=CC(=C2)NC(=S)NCCO 1 1.758 2 3 0 -12.6168319753432 2731591 CN(C)C(=S)NC1=CC2=C(C=C1)OCCO2 1 2.833 2 2 -9.30310657618561 2731590 C1COC2=C(O1)C=CC(=C2)N3C(=O)C4=CC=CC=C4NC3=S 1 3.504 2 3 -6.53342146973752 2731588 C1COC2=C(O1)C=CC(=C2)N3C(=O)CC(C3=O)SC4=CC=CC=C4N 1 2.106 2 4 -1.46561796198333 2731550 C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=NN2C3=CC(=CC=C3)F 1 2.741 5 2 0 -4.57863738939868 2731544 CC(C)C1=CC=CC=C1NC(=S)N(C)C 1 4.242 2 0 -4.90621751281709 2731542 CCOC(=O)C1=C(N=C(S1)NC2=CC(=CC=C2)Cl)C 1 3.182 2 2 -2.73983466392766 2731494 CC1=CC(=CC(=C1)NC(=S)NC2=C(C=C(C=C2)Br)C)C 1 6.573 2 0 -6.89926715014029 2731492 CC1=CC(=NC(=C1)NC(=S)NC2=CC(=CC=C2)OC)C 1 4.507 3 1 -4.17750537027292 2731490 CC1=CC(=NC(=C1)NC(=S)NC2=CC(=CC=C2)F)C 1 4.729 3 0 -2.330238890186 2731456 CCCCC(C(=O)NN=CC1=CC=CC=N1)C(=O)NN=CC2=CC=CC=N2 1 2.44 6 2 0 -5.76284284767688 2731441 CC1=CC(=C(C=C1)C)NC(=S)N(C)C 1 4.02 2 0 -5.81000522705783 2731424 C1=CC=C(C(=C1)CNC(=S)NC2=CC(=CC=C2)F)Cl 1 4.965 2 0 -6.57800943199011 2731414 CC1=CC(=C(C=C1)C)NC(=S)NCCCN2CCOCC2 1 3.373 3 1 -11.4031561060874 2731406 CC1=CC(=C(C=C1)C)NC(=S)NC2=CC(=CC=C2)SC 1 5.88 2 0 -3.58006936712945 2731396 CC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4C3=O 1 3.072 2 1 -4.69254740602257 2731389 CN(C)C(=S)NC1=CC(=CC=C1)F 1 3.253 2 0 -3.11023019172485 2731372 CC(C)(C)NC(=S)N(C)C 1 2.124 2 0 -9.79319859885537 2731370 CCC1=CC=C(C=C1)NC(=S)NCC2=CN=CC=C2 1 3.887 3 0 -9.80548153029724 2731369 CCOC1=CC=C(C=C1)NC(=S)NCC2=CN=CC=C2 1 3.277 3 1 -10.6100602018738 2731368 CC1=C(C=CC=C1Cl)NC(=S)NCCC2=CC=CC=N2 1 4.559 3 0 -7.76787952728962 2731367 C1C(=O)N(C(=NC2=C(C(=CC=C2)Cl)Cl)S1)CC3=CN=CC=C3 1 3.85 3 1 -5.00820308788719 2731366 C1C(=O)N(C(=NC2=CC=C(C=C2)Cl)S1)CC3=CN=CC=C3 1 3.185 3 1 -3.82023594166833 2731365 C1=CC(=CC(=C1)Cl)C(=O)NNC(=S)N 1 1.652 3 1 0 -3.33330851027595 2731360 CNNC(=S)NC1=CC=CC(=C1)C(F)(F)F 1 2.891 3 0 0.136247190574344 2731358 CNNC(=S)NC1=CC=C(C=C1)Cl 1 2.613 3 0 -2.40756670846357 2731357 CNNC(=S)NC1=CC(=CC=C1)SC 1 2.49 3 0 -2.12708554981565 2731352 CN(C)NC(=S)NC1=CC=CC(=C1)C(F)(F)F 1 3.097 3 0 -1.05010706750969 2731351 CN(C)NC(=S)NC1=CC(=CC=C1)Cl 1 2.819 3 0 -2.66705040042898 2731350 CN(C)NC(=S)NC1=CC(=CC=C1)SC 1 2.696 3 0 -3.31343980789969 2731347 CN(C)C(=S)NC1=CC=C(C=C1)N2CCOCC2 1 2.898 3 1 -5.98961300867032 2731342 CC(C)C1=C(C(=CC=C1)C(C)C)NC(=S)NC2=CC(=CC=C2)Cl 1 7.419 2 0 -1.62729730844232 2731340 CC1=CC(=CC(=C1)NC(=S)N(C)C)C 1 4.02 2 0 -5.36543377320344 2731338 CC1=C(C(=CC=C1)NC(=S)N(C)C)C 1 4.02 2 0 -3.0251042714567 2731337 CNC(=S)NNC(=O)C1=CC=CC=C1Cl 1 2.084 3 1 -10.1725040690803 2731331 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C3=NN=C(O3)NC(=O)C 1 2.002 4 3 0 -1.95917111039147 2731329 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C3=NN=C(O3)NC(=O)C 1 2.666 4 3 0 -6.89940961244219 2731306 C1C(=O)N(C(=S)S1)N=CC2=CN=CC=C2 1 1.645 3 1 0 -5.2056878580567 2731295 COC1=CC(=CC(=C1OC)OC)C2OC(=O)C3=CC=CC=C3S2 1 3.779 0 5 -4.36659877795091 2731288 CN(C)C(=S)NC1=C(C=C(C=C1)Br)Cl 1 4.46 2 0 -1.85414117844785 2731287 CN(C)C(=S)NC1=CC(=C(C=C1)Br)Cl 1 4.46 2 0 -3.09264598800738 2731282 C1=CC(=C(C=C1Br)Cl)NC(=S)NCCCO 1 3.448 2 1 -4.08520736787828 2731279 CSC1=CC=CC(=C1)NC(=S)NCCCO 1 2.577 2 1 -5.16438972302756 2731271 CC1=C(C(=NO1)C2=CC=CC=C2)C3=NC4=C(C=CC(=C4)Cl)C(=O)O3 1 4.351 2 3 -2.46625057763871 2731270 CC1=C(C(=NO1)C2=CC=CC=C2)C3=NC4=CC=CC=C4C(=O)O3 1 3.687 2 3 -5.6497429007189 2731269 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C3=NC4=C(C=CC(=C4)Cl)C(=O)O3 1 5.68 2 3 -6.96613429227938 2731264 C1=CC(=C(C(=C1)Cl)Cl)NC(=S)NCCO 1 3.301 2 1 -7.29755639529812 2731258 CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=N2)N 1 3.752 4 2 -8.72487784157329 2731257 C1=CC(=CC(=C1)NC(=S)NC2=NC(=CC=C2)NC(=S)NC3=CC=CC(=C3)C(F)(F)F)C(F)(F)F 1 8.243 5 0 0.939397818161328 2731254 CSC1=CC=CC(=C1)NC(=S)NC2=CC=C(C=C2)F 1 5.114 2 0 -0.764196808982408 2731248 CSC1=CC=CC(=C1)NC(=O)N 1 1.282 2 1 0 0.230426955520703 2731237 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N3C(=O)C=CC3=O 1 2.792 1 3 -0.208784561961641 2731217 CN(C)C(=S)NC1=CC=CC=C1C(=O)OC 1 2.903 2 2 -12.0119605821712 2731210 CN(C)C(=S)NC1=CC(=C(C=C1OC)Cl)OC 1 3.679 2 2 -10.101498116419 2731208 COC1=CC(=C(C=C1NC(=S)NCCO)OC)Cl 1 2.604 2 3 -13.2806559901 2731182 CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCOCC2 1 2.605 3 3 -15.9245999956873 2731180 COC1=CC(=C(C=C1NC(=S)N)OC)Cl 1 2.712 2 2 -7.52819068020741 2731162 CC(C)C1=CC=C(C=C1)N=C2N(C(=O)CS2)CCC3=CC(=C(C=C3)OC)OC 1 5.154 2 3 -8.26309022792871 2731156 CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CC=C(CC3C2=O)C 1 2.662 1 4 -9.0451413204359 2731145 CC1=CC(=CC=C1)NC2=NCCCS2 1 2.779 2 0 -4.89298487861398 2731143 CC1=NC(=NO1)C2=CC(=C(C(=C2)OC)OC)OC 1 1.431 2 4 0 -2.15908737816752 2731135 C1=CC=C(C(=C1)NC(=S)NNC(=O)C2=CC=NC=C2)Cl 1 2.788 4 1 -6.04407679598965 2731123 COC1=C(C=C(C=C1)CCNC(=S)C2=CC=CC=C2)OC 1 4.003 1 2 -4.3568010963159 2731122 C1=CC=C(C=C1)C(=S)NCC2=CN=CC=C2 1 2.564 2 0 -3.68462704000726 2731118 CC1=CC(=C(C(=C1)C)NC(=S)N)C 1 3.539 2 0 -2.6509075064525 2731114 C1=CC=C2C=C3C(=CC2=C1)C(=CC(=N3)C4=CNC5=CC=CC=C54)C(=O)O 1 4.794 2 2 -0.925037799021239 2731113 CN(C)C(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 1 3.082 3 2 -19.6516022391473 2731112 CN(C)C(=S)NC1=CC=CC(=C1)C(F)(F)F 1 3.99 2 0 -0.53542326773056 2731109 CCO/C=C\1/C(=O)N(C(=S)S1)C2=CC=C(C=C2)Cl 1 3.576 1 2 -2.19808721017796 2731100 CSC1=CC=CC(=C1)NC(=S)N 1 2.622 2 0 0.291759395940219 2731095 C1=CC(=C(C=C1Cl)NC(=S)N)Cl 1 3.409 2 0 0.446624417389576 2731091 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC3=C(C=C2)OCO3 1 3.485 2 6 0 -15.2849169593318 2731089 COC1=C(C=C(C=C1)CCNC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC 1 3.734 2 6 0 -17.5416016404669 2731087 CC1=CC(=C(C(=C1)C)NC(=S)N(C)C)C 1 4.506 2 0 -5.16740956601398 2731083 CC1=CC(=C(C(=C1)C)NC(=S)NCCO)C 1 3.431 2 1 -7.95138813577586 2731077 CC1=CC(=C(C=C1C)NC(=S)N(C)C)C 1 4.506 2 0 -6.46439581447788 2731067 CCNC(=S)NNC1=CC=CC=C1 1 2.534 3 0 -4.49100029077153 2731065 CC1=CC(=CC=C1)NC(=S)NCCC2=CC=CC=N2 1 3.894 3 0 -8.14061282856318 2731063 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NCCC3=CC(=C(C=C3)OC)OC 1 4.994 3 4 0 -16.7404275721526 2731062 CN(C)C(=S)NCCC1=CC(=C(C=C1)OC)OC 1 3.065 2 2 -10.4604208661916 2731061 COC1=C(C=C(C=C1)CCNC2=NCCS2)OC 1 2.526 2 2 -10.6769652699479 2731059 COC1=C(C=C(C=C1)CCNC(=S)NC(=O)C2=CC(=CC=C2)Cl)OC 1 4.447 2 3 -11.7105213193591 2731056 C1=CC=C(C=C1)C(=S)NCCO 1 1.592 1 1 0 -0.716560407021898 2731049 COC1=C(C=C(C=C1)CCNC(=S)NCCC2=CC(=C(C=C2)OC)OC)OC 1 4.401 2 4 -10.4707810739162 2731044 CC1=C(C=C(C=C1)NC(=S)N(C)C)C 1 4.02 2 0 -5.14915067199541 2731043 CN(C)C(=S)NC1=CC=C(C=C1)Cl 1 3.712 2 0 -3.07923716676847 2731041 CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC=N2)C 1 4.727 3 0 -3.83978191926072 2731040 CC1=CC(=C(C=C1)NC(=S)NC2=CC=CC=N2)C 1 4.727 3 0 -5.34976836213056 2731039 COC1=CC=C(C=C1)CNC2=CC=C(C=C2)C(=O)O 1 2.835 1 3 -4.0315251522809 2731017 CC1=CC2=C(C=C1C)NC(=S)N2 1 3.509 2 0 -4.02487894564098 2731009 CC1CC(CC(C1)(C)C)NC2=NCCS2 1 3.222 2 0 -10.5372754313198 2731003 C1=CC=C(C=C1)CNC(=S)NCCO 1 1.701 2 1 0 -9.02532935594689 2731000 CC1=C(C(=CC=C1)Cl)NC(=S)NN 1 2.893 3 0 -2.05815139440928 2730997 C1=CC=C2C(=C1)C=CC=C2NC3=NNC(=S)S3 1 3.918 3 0 -2.76492762196996 2730995 CC1=C(C=C(C=C1)Cl)NC(=S)NN 1 2.893 3 0 -2.02077087718916 2730993 C1=CC(=CC=C1NC2=NNC(=S)S2)Cl 1 3.674 3 0 -2.69624911715379 2730977 C1CCCCCC(CCCCC1)NC(=S)NN 1 4.483 3 0 -6.05734904604132 2730970 CC1=CC(=CC=C1)NC(=S)NC2=CC=CC=N2 1 4.241 3 0 -1.80161577781626 2730966 CC1=CC=CC=C1NC(=S)NCC2CCC(CC2)CNC(=S)NC3=CC=CC=C3C 1 7.637 4 0 -9.01684026678014 2730963 COC1=CC=CC=C1NC(=S)NC2CCCCCCCCCCC2 1 7.091 2 1 -9.94759755089656 2730955 COC1=CC=CC=C1NC(=S)NCC2CCC(CC2)CNC(=S)NC3=CC=CC=C3OC 1 6.632 4 2 -9.98386223834314 2730951 CC1=NC(=CC=C1)NC(=S)NC2=CC=C(C=C2)OC 1 4.021 3 1 -3.82603086147844 2730921 C1COCCN1C2=NN=C(O2)C3=CC=C(C=C3)Cl 1 1.565 3 2 0 -9.61465114836467e-002 2730902 C1=CC(=CC(=C1)C(F)(F)F)C2=NN(N=N2)CC(=O)NNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 2.986 6 3 0 -2.61826119888456 2730876 CC(C)NC(=O)NNC(=O)CN1N=C(N=N1)C2=C(C(=CC=C2)Cl)Cl 1 1.785 7 2 0 -10.9126046637759 2730762 CC(C(=O)NNS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F)N2N=C(N=N2)N3CCOCC3 1 0.658 7 4 0 -8.28605993676568 2730752 CC(C(=O)NN)N1N=C(N=N1)N2CCOCC2 1 -1.518 7 2 0 -7.040894011067 2730727 C1CC(=O)SC(=NC1)NC2=CC(=C(C=C2)F)Cl 1 3.321 2 1 -2.93158704644054 2730680 CC(C)(C)C(=O)NC1=NC(=NC(=N1)C2=CC=CC=C2Cl)NC(=O)C(C)(C)C 1 4.605 5 2 0 -9.30141572564359 2730609 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(C=C3)Cl)C 1 5.143 4 3 0 -16.9091682123326 2730623 CCCC1=C(C(=O)N=C(N1)SC)C 1 2.394 2 1 -5.43184756181159 2730625 CCCC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C 1 2.817 0 5 -10.0674831624661 2730645 CC1=NNC(=O)C1CC2=CC=C(C=C2)F 1 1.497 2 1 0 -8.04472355157606 2730635 C1=CC(=CC=C1CN2N=C(N=N2)C3=CC=C(C=C3)Cl)F 1 3.958 4 0 4.87832337705676 2730528 C1CC1CN2C(=O)CSC2=NN=CC3=CC=CC=C3Cl 1 3.641 3 1 -7.87240597298887 2730529 CC1=CC=C(C=C1)C=NN=C2N(C(=O)CS2)CC3CC3 1 3.463 3 1 -9.67608621333654 2730527 C1CC1CNC(=S)NN=CC2=CC=CC=C2Cl 1 3.716 3 0 -5.19077937487147 2730509 CC(C)(C)NC(=S)NCC1CC1 1 2.409 2 0 -11.5852754773329 2730495 CCCNC(=S)NC1=C(C=C(C=C1)F)F 1 3.795 2 0 -8.51597093254877 2730493 CC1=CC=CC(=C1)C2=NC(=CC(=N2)OCCOC)COC 1 2.568 2 3 4.2291093663918 2730484 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)COC 1 2.637 1 5 -8.1627536010855 2730470 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)COC 1 3.849 1 4 -8.54536840280857 2730458 CC1=C(C=C(C=C1)C2=NNN=N2)Cl 1 2.45 4 0 1.94507047193536 2730444 CC1=C(C=C(C=C1)C2=NC(=CC(=N2)OC(=O)N(C)C)COC)Cl 1 3.349 3 3 -0.811203535855537 2730443 CC1=C(C=C(C=C1)C2=NC(=CC(=N2)OC(=O)N(C)C)C)Cl 1 3.613 3 2 -0.552057887899573 2730436 C1=CC(=CC(=C1)Cl)NC2=NNC(=N2)N 1 1.483 5 0 0 5.1765016770515 2730432 CC1=C(C=C(C=C1)NC2=NC=NC(=N2)N3C=CC=C3)Cl 1 3.927 5 0 1.52729690526091 2730424 CS(=O)(=O)NNC(=O)CN1N=C(N=N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F 1 1.409 6 3 0 -5.60539029980074 2730396 COC1=CC=C(C=C1)C=NNC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 5.676 3 1 -0.755391924920762 2730394 C1=CC=C(C(=C1)C=NNC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl)Cl 1 6.357 3 0 0.453070095414552 2730386 C1=CC(=CC=C1NC(=S)NNC(=O)CN2N=C(N=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl 1 5.35 7 1 0 -2.96318438566645 2730383 CC1=CC=C(C=C1)NC(=S)NC2=NOC(=C2)C 1 3.519 3 1 -13.1969095240935 2730361 C1=CC=C(C(=C1)NC2=NC=NC(=N2)N3C=CC=C3)Cl 1 3.441 5 0 0.946316870939324 2730357 C1=CN(C=C1)C2=NC(=NC=N2)NC3=CC(=CC(=C3)Cl)Cl 1 4.105 5 0 1.9526614909203 2730333 C1=CC(=CC(=C1)F)NC(=S)NCCC(=O)O 1 2.447 2 2 -11.5389001571398 2730289 COC1=CC(=CC(=C1)NC2=NC=NC(=N2)N)OC 1 1.121 5 2 0 -2.84183439765741 2730283 COCC1=CC(=O)N=C(N1)N=C(N)NC2=CC(=C(C=C2)Cl)Cl 1 1.376 5 2 0 -8.51131787125022 2730282 COC1=CC(=CC(=C1)N=C(N)N=C(N)N)OC 1 -5.e-002 5 2 0 -0.460257231686779 2730263 CC1=CC=C(C=C1)N=C(N)N=C(N)N 1 0.469 5 0 0 2.472749914007 2730254 CCN(CC)C(=O)OC1=NC(=NC(=C1)COC)C2=CC=CC=C2 1 2.896 3 3 -3.0636011408005 2730251 CN(C)C(=O)OC1=NC(=NC(=C1)COC)C2=CC=CC=C2 1 2.199 3 3 -1.19458649708145 2730250 C1CC1C(=O)NNC(=S)NC2=CC=CC=C2C(F)(F)F 1 3.31 3 1 -8.25083318147994 2730249 CC1=CC(=C(C(=C1)C)NC2=NC=NC(=N2)N)C 1 2.612 5 0 -0.234737202800091 2730248 C1=CC=C(C(=C1)NC2=NC=NC(=N2)N)Cl 1 1.818 5 0 0 0.538553732555787 2730242 C1=CC(=C(C(=C1)Cl)Cl)NC2=NC=NC(=N2)N 1 2.482 5 0 0.33945577007631 2730231 CC(C)C1=CC=C(C=C1)N=C(N)N=C(N)N.Cl Cl- 1 1.177 5 0 0 2.75620961065864 2730228 C1=CC(=CC(=C1)Cl)N=C(N)N=C(N)N.Cl Cl- 1 0.647 5 0 0 4.66191098906087 2730220 COC1=CC(=CC(=C1OC)OC)NC2=NC=NC(=N2)N 1 1.104 5 3 0 -4.57634119232481 2730217 COCC1=CC(=O)N=C(N1)N=C(N)NC2=C(C=CC=C2F)F 1 0.458 5 2 0 -9.27912906525477 2730216 CSC1=CC=CC=C1NC2=NC=NC(=N2)N 1 1.695 5 0 0 -4.98036689353486 2730207 C1=CC(=C(C(=C1)F)NC2=NC=NC(=N2)N)F 1 1.565 5 0 0 0.464647716915032 2730185 CC1=C(NC(=S)NC1=O)COC 1 0.562 2 2 0 -6.37072958067442 2730176 COCC1=CC(=O)N=C(N1)SC 1 0.488 2 2 0 -9.52419568478382 2730146 CCCC1=C(N=C(N=C1OC(=O)N(C)C)SCC(=O)C(C)(C)C)C 1 4.432 3 3 -13.0491100050182 2730141 C1=C(C=C(C(=C1F)NC(=S)NN)Br)F 1 2.902 3 0 -0.654475324809917 2730137 CC(C)(C)C1=CC=C(C=C1)NC(=S)NCC2=CN=CC=C2 1 4.345 3 0 -6.85273669191031 2730136 C1=C(C=C(C(=C1Br)NC(=S)NN)Br)F 1 3.445 3 0 -0.125849974687215 2730134 CC(C)(C)C1=CC=C(C=C1)NC(=S)NCCC2=CC=CC=N2 1 4.808 3 0 -7.35273000625622 2730131 CC(C)(C)C1=CC=C(C=C1)N=C2N(C(=O)CS2)CC3=CC=CS3 1 4.812 2 1 -2.96162289468872 2730123 CC1=CC(=NC(=N1)N)NC2=CC(=CC(=C2)Cl)Cl 1 2.889 4 0 4.0136792998341 2730107 C1=CC=NC(=C1)CCNC(=S)NC2=CC(=CC(=C2)Cl)Cl 1 4.737 3 0 -8.9280450372862 2730105 C1=CSC(=C1)CNC(=S)NC2=CC(=CC(=C2)Cl)Cl 1 5.164 2 0 -8.75341416470811 2730086 C1CCN(C1)C2=NN(N=N2)CC(=O)NN=CC3=CC=C(C=C3)Cl 1 1.779 7 1 0 -4.49159898618427 2730080 C1CCN(CC1)C2=NN(N=N2)CC3=CC(=CC=C3)F 1 2.654 5 0 0.410970288307028 2730060 C1CCN(C1)C2=NN(N=N2)CC3=C(C=CC=C3Cl)Cl 1 3.321 5 0 -1.2363045920187 2730059 C1CCN(CC1)C2=NN(N=N2)CC(=O)C3=CC(=C(C=C3)Cl)Cl 1 3.45 5 1 -1.81254933075437 2730045 CC1=C(N=C(N=C1OC(=O)N(C)C)SCC2=C(C=CC=C2Cl)Cl)C 1 5.303 3 2 -8.1659221660498 2730027 CC1=C(C(=O)N=C(N1)N2CCSCC2)CC=C 1 1.368 3 1 0 -12.9830286389326 2730024 CC1=NN=C(S1)NC2=CC=CC=C2F 1 1.683 3 0 0 -3.49928459544284 2730012 C1=CC(=CC=C1NC2=NN=C(S2)C(F)(F)F)F 1 2.771 3 0 1.23131238902711 2730003 C1=CC(=CN=C1)CNC(=S)NC2=CC(=CC(=C2)Cl)Cl 1 4.274 3 0 -8.42805172294028 2729997 C1CSC(=N1)NC2=CC(=CC(=C2)Cl)Cl 1 3.559 2 0 -5.21353643800964 2729996 C1=C(C=C(C=C1Cl)Cl)NC(=S)NCCO 1 3.301 2 1 -7.28757605544962 2729989 CC1=CC(=NC(=N1)SCC2=C(C=CC=C2Cl)Cl)OC(=O)N(C)C 1 4.817 3 2 -11.5343176749833 2729983 CC1=C(C(=O)N=C(N1)SC)CC2=C(C=CC=C2Cl)F 1 3.772 2 1 -10.3275289526258 2729981 C1=CC(=C(C=C1NC2=NC=NC(=N2)N)Cl)F 1 2.023 5 0 2.48874657789418 2729976 C1=CC(=C(C=C1NC2=NN=C(S2)C(F)(F)F)Cl)F 1 3.435 3 0 2.81063950654477 2729963 CCOC(=O)C1=C(NN=C1NC2=CC=CC=C2OCCOC)C 1 1.928 3 4 0 -6.67362778591869 2729961 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F 1 5.462 2 4 -14.337954249371 2729945 CC1=NNC(=O)C1CC2=C(C=CC=C2Cl)Cl 1 2.62 2 1 -10.1996421957254 2729938 CC(=O)N1C(CC(=N1)C2=CC=CO2)C3=CC=C(C=C3)Br 1 2.895 2 2 -2.2161811622893 2729933 CC(=O)NC1=NN(C(S1)C2=CC=CC=C2)C(=O)C 1 1.596 3 2 0 -11.6868381668986 2729921 CCOC(=O)C1=C(NN=C1NN=CC2=CC=NC=C2)C 1 0.993 5 2 0 -3.93246275991319 2729879 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C4=NN=C(O4)N 1 3.761 5 1 11.1969905129768 2729868 CCN1CCC(CC1)(C#CC2=CC=CC=C2)O 1 2.131 1 1 3.20042281927391 2729862 CC1=CC=C(C=C1)NCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O 1 1.332 5 3 0 -15.0158467190401 2729861 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNC3=CC=C(C=C3)F)O 1 1.052 5 3 0 -14.3039696935748 2729857 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCN3C=NC4=C(C3=O)C=CC=N4 1 2.152 5 2 0 -0.575549701500407 2729826 C1CCC2C(C1)N(C(=O)C(=O)N2O)O 1 2.e-003 2 4 0 -0.110170264572962 2729825 CCOC(=O)NNC(=O)NCCCCCCNC(=O)NNC(=O)OCC 1 0.435 6 6 0 -11.1706661261367 2729806 CC1C(NC(C(C1=O)C)C2=CC=CO2)C3=CC=CO3.Cl Cl- 1 2.274 1 3 -5.62104264962688 2729797 CCC1C(NC(C(C1=O)CC)C2=CC=CC=C2)C3=CC=CC=C3 1 4.61 1 1 -0.600240360754243 2729796 CCC1C(NC(C(C1=NO)CC)C2=CC=CC=C2)C3=CC=CC=C3 1 4.677 2 1 1.84618145494429 2729795 C1C2CC(N(C1C3=CC=CC=C3)O2)C4=CC=CC=C4 1 2.779 1 1 1.01987729855648 2729793 CCC1C(NC(CC1(C2=CC=C(C=C2)F)O)C3=CC=CC=C3)C4=CC=CC=C4.Cl Cl- 1 4.991 1 1 6.20100898684375 2729791 COC1=CC=C(C=C1)C2CC3CC(N2O3)C4=CC=CC=C4 1 2.763 1 2 1.58401409039409 2729790 CC1CC2(CCCCC2)NCC3=C1C=CC(=C3)[N+](=O)[O-] 1 3.759 2 2 -3.7255234192092 2729789 CC1CC2(CCCCC2)N(CC3=CC=CC=C13)C(=O)C 1 3.66 1 1 -4.53280392044447 2729786 CC1C(N(C(CC1(C2=CC=C(C=C2)F)O)C3=CC=CC=C3)C)C4=CC=CC=C4 1 5.071 1 1 7.61379881084416 2729779 CCCC1C(NC(CC1=NO)C2=CC=CC=C2)C3=CC=CC=C3 1 4.215 2 1 2.70756870116725 2729774 CC(C)C1=CC(=O)C(=C(N1C2=CC=C(C=C2)Cl)O)C3=CC=CC=C3 1 5.496 1 2 2.85614368200175 2729771 CCC1=CC=C(C=C1)OCC(=O)N(C)C2CCS(=O)(=O)C2 1 1.529 1 4 0 -15.2926025150551 2729769 C1CS(=O)(=O)CC1NC(=O)C23CC4CC(C2)CC(C4)C3 1 1.437 1 3 0 -12.9424035527764 2729754 CNS(=O)(=O)C1=C(C=CC(=C1)Br)S(=O)C2=CC=CC=C2C(=O)O 1 2.125 1 5 -5.15667783371041 2729735 C1CN(CCN1CCO)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 1 1.49 4 3 0 2.99331973225838 2729734 CC1CN(CC(N1)C)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 1 2.249 4 2 -1.35025750578717 2729720 CC(CNC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2)O 1 1.557 3 3 0 -4.43847144211318 2729711 COC(=O)CC1=CC=CC2=C1OC3=CC=CC=C3C2=O 1 2.854 0 4 -4.03478409156503 2729703 COC1=CC2=C(C=C1)C3=NC4=CC=CC=C4C(=C3CC2)N5CCOCC5 1 4.397 2 2 2.90718929883621 2729702 C1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C41)N5CCOCC5 1 4.413 2 1 2.27550223719551 2729692 CC1=C(C(C(=C(N1)C)C#N)C2=CC=CC=C2OC)C#N 1 1.902 3 1 0 -11.1993038013582 2729690 CC1=C(C(C(=C(N1)C)C#N)C2=CC=C(C=C2)O)C#N 1 1.677 3 1 0 -7.15692332097509 2729685 CCOC(=O)C1=C(NC(=C(C1C2=NC(=CC=C2)C)C(=O)OCC)C)C 1 1.919 2 4 0 -18.5121355258535 2729644 CC1=NN=C(C=C1)NC2=CC=CC=C2 1 1.946 3 0 0 -4.52534915742454e-002 2729668 C1=CC=C(C=C1)C2=NN3C(=NN=N3)C=C2 1 1.1 5 0 0 -5.08597741733998 2729656 CC1=C(N2C3=CC=CC=C3SC2=NC1=O)O 1 2.869 2 2 -3.2499638572453 2729649 CC1(CC(=C(C(=O)C1)SC2=CC=CC=C2)O)C 1 2.899 0 2 -2.33927325806503 2729594 CN(C)/C=C(\C1=NN=NN1C2=CC=CC=C2)/C(=O)C3=CC(=C(C=C3)Cl)Cl 1 3.825 5 1 -6.24158121570352 2729589 CC1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2=CC=C(C=C2)C 1 4.465 0 3 -4.55578899098957 2729567 C1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.954 2 3 -16.3851924267754 2729562 C1CCC(CC1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 3.251 2 2 -4.11400925299364 2729542 CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 4.072 2 2 0.147167434973306 2729535 C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3 1 3.099 2 2 -0.950079634701821 2729533 COC1=CC=CC=C1CC(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 2.75 2 2 -6.19501911810097 2729532 C1CN(CCC1NC(=O)C2=C(C=CC=C2Cl)Cl)CC3=CC=CC=C3 1 4.061 2 1 -2.08896328544737 2729530 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 4.132 2 1 0.448927434031098 2729521 CC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC4=C3C=CN4 1 4.312 3 0 5.56292556522789 2729520 C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC4=C3C=CN4 1 3.72 4 2 1.34413566403374 2729517 C1CN(CCN1CC2=CC=CC=C2Cl)C3=CC=CC4=C3C=CN4 1 4.49 3 0 4.56458889720868 2729513 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C3=CC=CC=C3OC 1 4.829 1 2 -2.73180280665885 2729512 C1CN(CCC1NC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3Br 1 2.821 2 2 -10.1722539327989 2729510 C1CN(CCC1NC(=O)C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.967 3 4 0 -11.7896612663731 2729508 C1CN(CCC1NC(=O)C2=CC=CC=C2)C(=O)C3=CC=CS3 1 2.026 2 2 -14.7511343823203 2729506 C1CCC(CC1)C(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3 1 2.534 2 2 -9.7656569927095 2729504 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3 1 3.473 2 2 -6.45654035737499 2729503 C1CN(CCC1NC(=O)C2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.626 3 3 -5.59100630843575 2729502 C1CN(CCC1NC(=O)C2=CC=CC=C2)CC3=CC4=CC=CC=C4C=C3 1 3.64 2 1 -0.613055903017704 2729501 C1CN(CCC1NC(=O)C2=CC=CC=C2)CC3=CC(=C(C=C3)Cl)Cl 1 4.061 2 1 -0.550314444193516 2729500 COC1=CC=CC=C1C2CCN(CC2)CC3=CC=CC=C3 1 4.088 1 1 2.21696775437496 2729499 C1CN(CCC1NC(=O)C2=CC=CC=C2)CC3=C(C=C(C=C3)Cl)Cl 1 4.061 2 1 -0.463454945667711 2729498 C1CN(CCC1NC(=O)C2=CC=CC=C2)CC3=CC=CC=C3Cl 1 3.396 2 1 -3.17939481631679 2729497 CC1=CC=C(C=C1)CN2CCC(CC2)NC(=O)C3=CC=CC=C3 1 3.218 2 1 -2.11003937780996 2729481 COC1=CC(=C(C=C1)OC)C(=O)CCCC(=O)C2=C(C=CC(=C2)OC)OC 1 3.58 0 6 -7.44458245329905 2729470 CC1(N=C(N=C(N1C2=CC=CC=C2OC)N)N)C.Cl Cl- 1 0.296 5 1 0 9.99376504916675 2729465 C12C(C(OC1C(=O)O)C(=O)O)C(C2(F)F)(F)F 1 1.7e-002 0 5 0 -3.53733272599874 2729460 CC1=C(C(NC(=O)N1C)C2=CC3=CC=CC=C3C=C2)C(=O)OC(C)(C)C 1 3.11 2 3 -15.7880081982362 2729458 CSC1=NN=C(O1)CCCCCCCCC2=NN=C(O2)SC 1 3.883 4 2 -9.28941053780901 2729453 C(CC1=NNC(=S)O1)CC2=NNC(=S)O2 1 2.264 4 2 -4.84936125892044 2729442 C1=CC=C(C=C1)CC2C(=O)N=C(S2)N 1 2.14 2 1 -4.6585733134428 2729421 CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)C 1 1.604 2 2 0 -25.3084483624427 2729418 COC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC3=C(C(=C(C(=C3F)F)F)F)F 1 5.186 1 3 -1.15759027722119 2729405 CCOC(=O)C(C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl)(C(F)(F)F)O 1 4.5 1 4 -6.24528890142385 2729403 COC(=O)C(C(F)(F)F)(NC(=O)OC)NS(=O)(=O)C1=CC=CC=C1 1 1.682 2 6 0 -13.5394022411777 2729327 CCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NCC(C1=CC=CC=C1)O 1 4.214 2 3 -9.44827253059801 2729311 CCCCOC(=O)C(C)NC1=NNC(=S)NC1=O 1 1.105 4 3 0 -18.8296987088434 2729307 C1=CC(=CC=C1N2C(=NN=N2)SCC(=O)NC3=NC(=CS3)CC(=O)O)O 1 1.285 6 4 0 -22.231217938193 2729306 C1=CC(=NC(=C1)SCC(=O)NC2=NC(=CS2)CC(=O)O)C(=O)O 1 1.545 3 5 0 -14.4996376192502 2729304 CCOC(=O)CNC(=O)CSC1=NN=C(S1)SCC(=O)NCC(=O)OCC 1 0.16 4 6 0 -21.3878594269885 2729300 CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NN=CN2C 1 0.784 5 3 0 -24.6175902110145 2729287 CCOC(=O)CNC(=O)C1=CC=C(C=C1)SCC 1 1.984 1 3 0 -12.4130484120799 2729282 COC(=O)CNC(=O)CSC1=CC=CC=N1 1 0.527 2 3 0 -18.1058926489038 2729277 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3 1 2.959 2 1 -4.93961963331802 2729247 CC(C)C1(C(=O)N=C2N1C(=O)C3=CC=CC=C32)C 1 2.231 2 2 -3.56239009959411 2729242 CCN(CC)C1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC 1 2.273 3 3 -35.4874897977246 2729195 C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CO2 1 2.068 3 3 -8.45399800972721 2729121 C1CN(CC2=C1NC3=C2C=C(C=C3)F)S(=O)(=O)C4=CC=C(C=C4)C#N 1 2.988 3 2 -8.49493495554774 2729105 C1CCC(CC1)N2C=C(C(=O)C3=CC=CC=C32)C(=O)O 1 3.014 1 3 -3.54914520175315 2729104 C1CCC(CC1)N2C=C(C(=O)C3=CC=CC=C32)C(=O)N 1 2.387 2 2 -3.42402212322692 2729092 C1CN(CCC1O)C(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.792 1 4 -1.09505745458023 2729017 CC(C)(C)NC(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C23 1 3.061 1 2 -8.87356212594434 2728966 CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)OCC2=CC=CC=C2 1 3.945 1 4 -8.97069235023162 2728967 CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)OCC2=CC=C(C=C2)F 1 4.151 1 4 -7.42974262400137 2728945 C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N 1 -6.7e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l 1 4.093 3 2 -6.08604700468683 2747171 C1=CC(=C(C=C1Cl)Cl)CC(=S)N 1 3.063 1 0 1.76163083313087 2728685 C1C(NC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=CC=C4 1 4.762 2 0 1.27363227060485 2728651 CC1CC(=S)NC2=CC=CC=C2S1 1 3.175 1 0 -2.1122828164997 2728645 CC1(CC(=O)N(C2=CC=CC=C2S1)CC(=O)O)C 1 1.696 1 3 0 -8.75421998162748 2728610 CC1=CC=CC=C1NC(=O)COC2=CC3=C(C=C2)C(=O)CC(O3)(C)C 1 3.176 1 4 -14.349611678588 2728601 CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C 1 3.531 1 5 -8.21936986584576 2728546 C1=CC(=C(C(=C1)Cl)N2C=CNC2=S)Cl 1 3.415 2 0 -2.97202806371616 2728530 COC(=O)CCC(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2 1 2.091 1 5 -13.4106618838087 2728527 CC1(OC(=O)C(C(=O)O1)CC2=C(C(=C(C=C2)OC)OC)Cl)C 1 2.557 0 6 -2.17133870382276 2728525 C1=CC=C2C(=C1)N=C(C(=N2)NCCO)NCCO 1 -3.4e-002 4 2 0 -0.132668353914065 2728522 CCOC(=O)/C(=C/NC1=CC=CC=C1OC(F)(F)F)/C#N 1 3.802 2 3 -6.2840724760309 2728519 CCOC(=O)/C(=C/NC1=C(C=CC(=C1)F)C)/C#N 1 2.374 2 2 -5.60786867842128 2728518 CC1=NC(=CN1CC(C2=CC=C(C=C2)Cl)O)[N+](=O)[O-] 1 2.354 3 3 -0.487027265753338 2728513 CCC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(C=C3)C 1 4.025 2 1 -2.82566386945465 2728512 CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.118 2 1 -3.9571887962559 2728504 CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C 1 4.484 2 1 -8.09158456426085e-003 2728503 CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC=CC=C3C 1 3.569 2 1 -5.40951980964651 2728502 CC1=C(OC2=C1C3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4 1 5.223 0 2 4.11805680621578 2728500 CC1=CC(=C(C=C1)OCC(=O)C2=CC=C(C=C2)OC)NC(=O)C 1 2.659 1 4 -9.40957793772391 2728485 C1=CC=C(C=C1)C2=CC(=C(C(=O)N2N)C#N)C(F)(F)F 1 1.674 3 1 0 -1.22515380305791 2728483 CC1=NC(=CN1CC(C2=CC=C(C=C2)OC)O)[N+](=O)[O-] 1 1.673 3 4 0 -2.7219921654843 2728479 CC1=NC(=CN1CC(C2=CC=CC=C2)O)[N+](=O)[O-] 1 1.69 3 3 0 -4.12473186179528 2728476 C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])CO)C3=C(C=C(C=C3)[N+](=O)[O-])CO 1 2.201 4 6 0 0.540498614107098 2728466 CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)CC(=O)C4=CC=C(C=C4)OC 1 3.657 3 2 3.02902204348978 2728462 CCOC(=O)COC1=C(C(=CC(=N1)C)C(F)(F)F)C#N 1 2.361 2 3 -10.8554370358903 2728459 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)C 1 3.188 1 1 2.49772832815923 2728458 C1CCN(CC1)CCNC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.827 3 0 1.51210620174023 2728457 CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.737 3 2 1.97344697557783 2728455 C1=CC=C(C(=C1)C(=O)N)NC(=O)C2=COC=C2 1 0.72 2 3 0 -10.3738457975343 2728454 CC1=NC(=CN1CC(=O)C2=CC=C(C=C2)OC)[N+](=O)[O-] 1 1.856 3 4 0 -5.43286621468985 2728453 CC1=NC(=CN1CC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 2.537 3 3 -3.19790131495889 2728452 COC1=CC=C(C=C1)C(=O)NC2=C(N=CC=C2)SC3=CC=C(C=C3)Cl 1 4.769 2 2 -3.89311826186007 2728451 CC1=C(C2=C(N1)C=CC(=C2)C(C)C)CC(=O)O 1 3.127 1 2 -0.25321640386082 2728449 CC1=NC(=CN1CC(=O)C2=CC=CC=C2)[N+](=O)[O-] 1 1.873 3 3 0 -5.81554757305505 2728417 CC1=CC=C(C=C1)SC2=C(C=CC=N2)NC(=O)C3=CC=CC=C3Cl 1 5.272 2 1 -5.64461905949837 2728416 CC(C)(C)C1=CC=C(C=C1)OC2=C(C=CC=N2)NC(=O)C3=CC=CS3 1 4.917 2 2 -2.02162701672216 2728389 COC1=CC=C(C=C1)COC2=C(N=CC=C2)N 1 2.022 2 2 -1.02147690423254 2728383 CC(C)C(=O)N1C2=C(C=C(C=C2)F)C3=NC4=CC=CC=C4N=C31 1 4.74 3 1 -0.741946961244544 2728373 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC=C2)OC3=CC=C(C=C3)Cl 1 4.417 2 3 -7.68448158789733e-002 2728369 CN1C(=NNC1=S)CN2C3=CC=CC=C3C4=CC=CC=C42 1 3.652 4 0 -3.88577143032111 2728364 CC(C)(C)OC(=O)C(C)(C)SC1=NN=C(S1)N 1 2.075 3 2 -7.41523451051246 2728359 CC(=O)N1CCC(CC1)C2=CNC3=CC=CC=C32 1 2.074 2 1 -4.13855247485764 2728348 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=C(N=CC=C3)OC4=CC=C(C=C4)Cl 1 5.136 2 2 4.75569714672696e-002 2728342 C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(=O)NN 1 1.891 3 1 0 -2.93011603091831 2728328 CC(=O)C(=NNC1=CC=CC(=C1)C(F)(F)F)C(=O)C 1 2.45 2 2 4.62074350912425 2728321 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)OC)C 1 2.725 3 4 0 -11.5996490168216 2728314 CC1=CC=C(C=C1)C(=O)NC2=C(N=CC=C2)OC3=CC=C(C=C3)Cl 1 4.714 2 2 -2.05241862437678 2728308 CCC1=CC=C(C=C1)C(=O)NC2=C(N=CC=C2)OC3=CC=C(C=C3)Cl 1 5.17 2 2 -2.29185676015586 2728291 CC1=CC=CC(=C1C)C(=O)NC2=C(N=CC=C2)OC3=CC=C(C=C3)OC 1 4.519 2 3 -3.17448424518312 2728251 C1=CC(=CC(=C1)Cl)C(C2=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])O 1 3.884 1 4 1.03499697490653 2728240 CC1=CC(=C(C2=C1CCC2)OCC(=O)NN)Br 1 2.467 2 2 -4.9711250457064 2728229 CCOC(=O)C(=CNC1=C(C=CC(=C1)C)C)C(=O)OCC 1 2.979 1 4 -1.91466540061763 2728150 COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CN=C3)Br 1 2.676 3 3 -13.2191681235976 2728149 COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CS3 1 3.032 2 3 -14.3010728109994 2728081 COC(=O)C1CC2=C(C3(N1)CCN(CC3)CC4=CC=CC=C4)NC5=CC=CC=C25 1 3.42 3 2 4.31982892256932e-002 2728078 C1CN(CCC1NC(=O)C2=CC=CC=C2)CC3=CC=C(C=C3)F 1 2.937 2 1 -1.39816235234471 2728075 CN1C2CCC1CC(=NO)C2 1 0.67 2 1 0 0.96107279864269 2728052 COC1=CC=CC=C1C2CCN(CC2)C3=C(C=C(C=C3)CO)[N+](=O)[O-] 1 3.466 2 4 0.301498570524598 2728050 C=CCCOC1=CC=CC=C1C(=O)N 1 1.753 1 2 0 -5.54831070707383 2728046 COC1=CC=CC=C1C2CCN(CC2)C3=C(C=CC(=C3)O)[N+](=O)[O-] 1 3.829 2 4 1.99570737310436 2728024 COC1=CC=CC=C1C2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.323 2 4 -8.50967462225466 2728021 COC1=CC=CC=C1C2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-] 1 2.839 3 3 -0.220235276914162 2728020 COC1=CC=CC=C1C2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])OC 1 4.055 2 4 0.749555549057421 2728011 COC1=CC=CC=C1C2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br 1 5.981 2 1 -10.7273385684304 2727970 CC1=CC(=CC2=C1C(=O)CC(O2)(C)C)OCC(=O)NC3=CC=C(C=C3)Br 1 3.924 1 4 -12.8663915188433 2727966 CC1=CC(=CC2=C1C(=O)CC(O2)(C)C)OCC(=O)N(C)C3=CC=CC=C3 1 3.382 1 4 -13.5910520969687 2727921 C1=CC=C(C=C1)C(CC(=O)C2=CC=CS2)C(=O)O 1 2.863 0 3 -9.2126183615648 2727906 CN1CCCCC(C1=O)C2=CC(=CC=C2)OC 1 2.225 1 2 -1.71691067021854 2727886 COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)NC(=O)C4=CC=CO4 1 3.408 2 3 3.08028185976184 2727852 C1=CC2=C(C=C1Br)C(C(=O)N2)(CC3=CC=NC=C3)O 1 1.632 2 2 0 -2.1594879712577 2727851 C1=CC=C2C(=C1)C(C(=O)N2)(CC3=CC=NC=C3)O 1 0.884 2 2 0 -3.57114501480632 2727783 CC1=C(C(CC(=O)N1)C2=CC=CC=C2)C(=O)OC 1 1.312 1 3 0 -18.0439860471096 2727812 C1=CC(=CC=C1NCCC(=O)O)Cl 1 2.032 1 2 -4.07319787976206 2727762 C1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)NC=C3 1 4.664 3 0 -7.9147884002956 2727742 CC1=NN(C(=C1)NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.537 4 4 0 -5.33694506239444 2727740 CC1=NN(C(=C1)NC2=CC=CC=C2C(=O)O)C3=CC(=CC=C3)Cl 1 4.307 3 2 0.407905217467856 2727739 CC1=NN(C(=C1)NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)OC 1 3.627 3 3 -3.65551348418135 2727731 CC1=C(C=CC(=C1)C2=NN=C(O2)CSC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)C(C)(C)C)[N+](=O)[O-] 1 5.029 6 4 0 -15.4859017510246 2727630 CSC1=C(C(=NC2=C1C(=C(S2)C(=O)C3=CC(=C(C=C3)Cl)Cl)N)N)C#N 1 4.231 4 1 -4.55760795837054 2727621 CSC1=C(C(=NC2=C1C(=C(S2)C(=O)C3=CC=CC=C3)N)N)C#N 1 2.902 4 1 -6.74336872574341 2747143 CC(C)NC(=O)N1CCCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl 1 2.663 4 1 -4.03691760471732 2747120 C1COC2=C(O1)C=CC(=C2)N3C(=O)NN=C3SCC4=CC=CC=C4Cl 1 4.227 3 3 -14.8427699327854 2747102 CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCCNCC2)C(F)(F)F 1 1.698 4 2 0 -8.94373710831864 2747101 C1CNCCN(C1)C2=NC=C(C=C2)C#N 1 0.123 4 0 0 -4.73237887835791 2747081 C1=CC2=C(C=C1F)NC(=N2)C(C(C3=NC4=C(N3)C=C(C=C4)F)O)O 1 2.368 4 2 2.96905724088396 2747063 CC1=CC=C(C=C1)CN2C(=CC(=N2)C(=O)NC3=CC=C(C=C3)Br)C 1 4.656 3 1 -8.39204356082685 2747053 CC1=CC=C(C=C1)CN2C(=CC(=N2)C)C(=O)NC3=CC=CC=C3Cl 1 4.572 3 1 -9.16868973796848 2747052 CC1=CC=C(C=C1)CN2C(=CC(=N2)C)C(=O)NC3=CC=C(C=C3)Cl 1 4.572 3 1 -7.43766511358525 2747026 C1C2CC(C1C=C2)N3C(=O)NN=C3SCC4=CC=CC=C4 1 3.357 3 1 -10.6051047265538 2746948 CCOC(=O)C1=CC(=CC(=N1)C(=O)OCC)SC2=CC=CC=C2N 1 3.316 2 4 -6.26303032505286 2746929 COC(=O)C1=CC(=C(N=C1)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-] 1 3.46 3 4 0 0.261280703001989 2746927 COC(=O)C1=CC(=C(N=C1)NC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 3.182 3 4 0 -2.53543654334688 2746865 CC1=CC=C(C=C1)CN2C(=O)CNC2=S 1 2.208 2 1 -3.60683158555764 2746848 C1CCC(CC1)N2C(=O)NN=C2SCC3=NN=C(O3)C4=CC(=CC=C4)Cl 1 4.215 5 2 0 -11.123088617003 2746836 CC1=NC(=C(S1)C(=O)SC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F 1 5.141 1 1 4.06752446529761 2746835 CC1=CC=C(C=C1)SC(=O)C2=C(N=C(S2)C)C(F)(F)F 1 4.684 1 1 2.92413246211142 2746834 CC1=NC(=C(S1)C(=O)SC2=CC=CC=C2)C(F)(F)F 1 4.198 1 1 2.18926383112911 2746833 CC1=NC(=C(S1)C(=O)SC2=CC=C(C=C2)Cl)C(F)(F)F 1 4.863 1 1 4.93442774703204 2746803 CCOC(=O)C1=C(C(=NC(=N1)C)SC2=NNC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C 1 5.874 5 2 0 -4.20911217438932 2746802 CCOC(=O)C1=C(C(=NC(=N1)C)SC2=NNC(=N2)C3=CC(=CC(=C3)Cl)Cl)C 1 5.318 5 2 0 -4.19139877684647 2746801 CCOC(=O)C1=C(C(=NC(=N1)C)SC2=NNC(=N2)C3=CC=C(C=C3)C(C)(C)C)C 1 5.389 5 2 0 -2.52892108282772 2746800 CCOC(=O)C1=C(C(=NC(=N1)C)SC2=NNC(=N2)C3=CC=CC=C3)C 1 3.989 5 2 0 -5.58157164825423 2746740 C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)SC3=NC=C(S3)[N+](=O)[O-] 1 4.321 4 3 0 -3.64873012356653 2746711 C1=CC(=CC=C1C#N)OC2=C(C=NC=C2Cl)Cl 1 3.447 2 1 2.15786576669194 2746703 CC(=O)CSC1=NN=C(N1C)C(F)(F)F 1 1.414 3 1 0 -9.09820726681382 2746683 C1=CC(=CC=C1C(=NC(=O)C2=CN=C(C=C2)OCC(F)(F)F)N)Cl 1 3.585 3 2 -2.28281807098919 2746682 C1=CC=C(C=C1)C(=NC(=O)C2=CN=C(C=C2)OCC(F)(F)F)N 1 2.92 3 2 -5.08285514834297 2746662 C1=CC=NC(=C1)C2NN=C(S2)SCC(=O)NC3=CC(=CC=C3)Cl 1 3.735 4 1 -9.37674263100076 2746661 C1=CC=NC(=C1)C2NN=C(S2)SCC(=O)NC3=CC=C(C=C3)C(F)(F)F 1 4.013 4 1 -8.43245077384913 2746659 C1=CC=C(C=C1)NC(=O)CSC2=NNC(S2)C3=CC=CC=N3 1 3.07 4 1 -12.3532847965672 2746653 C1=CC=C(C=C1)CSC2=NNC(S2)C3=CC=CC=N3 1 4.017 3 0 -7.68392240277874 2746645 C1=CC(=CC=C1C#N)C(=O)CSC2=NN=C(S2)C3=NC=C(C=C3)C(F)(F)F 1 4.125 4 1 -8.82269844794938 2746643 C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)C3=NC=C(C=C3)C(F)(F)F 1 4.246 3 1 -6.99260686578805 2746642 C1=CC(=CC=C1C(=O)CSC2=NN=C(S2)C3=NC=C(C=C3)C(F)(F)F)Cl 1 4.911 3 1 -4.37496060769188 2727580 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=CC4=C(CCN4C(=O)C)C=C3 1 3.89 3 3 -21.1700448063656 2727572 CCOC(=O)C(=CNC1=CC2=C(C=C1)N(CC2)C(=O)C)C(=O)OCC 1 1.408 2 5 0 -11.5872883450225 2727534 COC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(S2)N=CC=C3 1 2.672 3 2 -14.8893971658073 2727521 CC1=CC(=C(C(=O)N1NC(=S)NC2CCCC2)C#N)C 1 2.465 4 1 -10.0435923967134 2727516 C1CCC(C1)NC(=S)NNC(=O)CC#N 1 1.217 4 1 0 -14.8700764895305 2727514 CC1=CC(=C(C(=O)N1NC(=S)NC2CCCCC2)C#N)C 1 2.921 4 1 -10.3980609108815 2727512 C1=CC(=CC=C1N2C(=C(C=N2)C(=O)O)N)[N+](=O)[O-] 1 0.958 4 4 0 -5.2464676846179 2727506 CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)[N+](=O)[O-])N 1 1.532 4 4 0 -7.53372879737445 2727495 CC1=CC=C(C=C1)CC2=CC(=NNC2=O)C 1 2.194 2 1 -7.33166552111518 2727487 CC1=CC2=C(C=C1)N=CN=C2OC3=C(C=CC=N3)NC(=O)C(C)(C)C 1 4.028 4 2 -7.20664158634891 2727479 CC1=CC2=C(C=C1)N=CN=C2OC3=C(C=CC=N3)[N+](=O)[O-] 1 3.256 4 3 0 1.7833475494978 2727469 CC1=CC=C(C=C1)CNC2=NN3C(=NN=C3C4=CC=CC=C4)C=C2 1 3.723 5 0 -2.12537854212983 2727464 C1=CC(=C(N=C1)OC2=C(C=C(C=C2)Cl)Cl)C(=O)N 1 3.109 2 2 -1.61224947365877 2727434 CCOC(=O)CSC1=NN2C(=NN=C2C3=CC=CC=C3)C=C1 1 2.915 4 2 -11.6211564150836 2727425 CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC=C(C(=O)OCC)C(=O)OCC 1 2.364 2 6 0 -3.98047314906229 2727400 CCOC(=O)CC1=NN=C(O1)C2=CC=CC=C2 1 1.774 2 3 0 -7.52863471433264 2727397 CC1CC(=O)NN=C1C2=CC=CS2 1 1.465 2 1 0 -10.2153774618989 2727374 C1=CSC(=C1)C2=C(C(=O)N=C(N2)SCC(=O)C3=CC=C(C=C3)Br)C#N 1 3.999 3 2 -10.5652607802227 2727357 C1=CC=C(C(=C1)C(=O)CC(=O)C2=C(C=CC=C2Cl)F)O 1 3.782 0 3 1.81527106537953 2727352 CC1=CC(=C(C(=C1)O)C(=O)CC(=O)C2=CC=CC=C2Cl)C 1 4.549 0 3 2.01176414672609 2727328 CN(CC1=C(C=CC=C1OC)OC)C(=O)C2=C(C=CN=C2)C(F)(F)F 1 2.586 2 3 -2.18910664983516 2727315 CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=NO3 1 3.291 3 2 7.14711010641789 2727313 C1=CC(=C(C(=C1)Cl)C2=NOC(=N2)C3=CC=NO3)Cl 1 3.219 3 2 0.580772438806008 2727309 C1=CC(=CC(=C1)Cl)C2=NN=C(O2)C3=CC=NO3 1 2.464 3 2 4.99097350436448 2727303 CC1=CC=CC=C1CON=CC2=NN(C=C2Br)C(=O)NC 1 3.372 4 2 -1.30064814068695 2727302 CNC(=O)N1C=C(C(=N1)C=NOCC2=CC=C(C=C2)OC)Br 1 2.869 4 3 0 -0.595322809856824 2727277 C#CCOC(=O)NC1=CN=C(C=C1)OCC(F)(F)F 1 3.165 2 3 -6.53420496936434 2727273 CN(C)C1=NC=C(C=C1C(F)(F)F)[N+](=O)[O-] 1 1.597 3 2 0 -3.56815081134188 2727268 CC1=CC(=C(C=C1)N=C(C2=C(C=CN=C2)C(F)(F)F)NO)C 1 3.446 3 1 3.74546744320614 2727255 C1=CC=C(C(=C1)N2C(=NOC2=O)C3=CN=CC=C3)F 1 2.172 3 2 1.27206781871543 2727254 C1=CC(=CC(=C1)N=C(C2=CN=CC=C2)NO)C(F)(F)F 1 2.473 3 1 4.00742640419257 2727253 CC1=CC=CC=C1N=C(C2=CN=CC=C2)NO 1 2.017 3 1 1.29867632495772 2727251 C1=CC(=CN=C1)N2C(=NOC2=O)C3=C(C=C(C=C3)Cl)Cl 1 3.295 3 2 2.62106510505514 2727244 C1=CC(=CC(=C1)OC2=NC=CC(=C2C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F)C(F)(F)F 1 5.859 2 2 -1.35496684083122 2727243 CC1=CC(=CC=C1)OC2=NC=CC(=C2C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F 1 5.402 2 2 -1.88277950971684 2727242 C1=CC(=CC=C1OC2=NC=CC(=C2C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F)Cl 1 5.581 2 2 -1.31902509556535 2727241 C1=CC=C(C=C1)OC2=NC=CC(=C2C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F 1 4.916 2 2 -3.62925779812098 2727234 COC1=NC=CC(=C1C(=O)NC2=CC=C(C=C2)Cl)C(F)(F)F 1 3.593 2 2 -5.13523406274223 2727218 CC(C)(C)C1=CC(=NN1)C(=O)NNS(=O)(=O)C2=CC=CC=C2 1 2.138 4 3 0 -6.53967520125286 2727216 CC(C)C1=NN(C(=O)O1)C2=NC=CC(=C2)C(F)(F)F 1 3.099 3 2 0.372025054477776 2727215 CC1=NN(C(=O)O1)C2=NC=CC(=C2)C(F)(F)F 1 1.97 3 2 0 0.597895509756481 2727209 CN(C)C(=O)C1=CN=C(C=C1)OCC(F)(F)F 1 1.623 2 2 0 -7.2004823634904 2727208 C1=CC(=NC=C1C(=O)N)OCC(F)(F)F 1 1.211 2 2 0 -5.94170368658697 2727183 C1=CC(=C(N=C1)OCC(F)(F)F)C(=O)N 1 1.211 2 2 0 -6.80716163856122 2727177 C1=CC(=C(C=C1C2=NN(C(=O)O2)C3=NC=C(C=C3)C(F)(F)F)Cl)Cl 1 4.963 3 2 3.77697017235608 2727173 C1=CC(=CC(=C1)C(F)(F)F)C2=NN(C(=O)O2)C3=NC=C(C=C3)C(F)(F)F 1 4.576 3 2 4.53184077546717 2727169 CC(C)(C)C(=O)N1C=C(C(=N1)C=NOC(=O)NC)Br 1 2.632 4 3 0 -3.38941987896542 2727168 CCOC(=O)NNC1=NC=C(C=C1)C(F)(F)F 1 1.658 3 2 0 -0.600602123128581 2727167 CC(C)C(=O)NNC1=NC=C(C=C1)C(F)(F)F 1 1.795 3 1 0 -4.30573097956966 2727165 COC1=C(C(=CC=C1)OC)C2=NN(C(=O)O2)C3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.266 3 4 0 -0.601322987238859 2727155 C1=CC(=C(C=C1C(=O)NNC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl)Cl 1 4.961 3 1 3.61751406879968 2727151 C1=CC(=CC=C1C2=NN=C(O2)C3=CN=C(C=C3C(F)(F)F)OC4=CC=C(C=C4)Cl)Cl 1 6.274 3 2 4.97738229054564 2727149 C1=CC=C(C=C1)OC2=NC=C(C(=C2)C(F)(F)F)C3=NN=C(O3)C4=CC=CC=C4Cl 1 5.609 3 2 3.71335241964202 2727145 CN(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CNC(=O)C=C2C(F)(F)F 1 2.858 2 2 -4.58848793860543 2727143 CN(C1=CC=C(C=C1)Cl)C(=O)C2=CNC(=O)C=C2C(F)(F)F 1 2.193 2 2 -3.62743749696604 2727140 COC1=C(C(=CC=C1)OC)C(=O)NC(=O)NC2=CC=C(C=C2)OC3=NC=C(C(=C3)C(F)(F)F)C(=O)OC 1 4.108 3 7 0 -4.35837197181999 2727139 COC(=O)C1=CN=C(C=C1C(F)(F)F)OC2=CC=C(C=C2)NC(=O)NC(=O)C3=C(C=CC=C3Cl)F 1 5.011 3 5 0 -3.93633682306625 2727138 COC(=O)C1=CN=C(C=C1C(F)(F)F)OC2=CC=C(C=C2)NC(=O)NC(=O)C3=C(C=CC=C3F)F 1 4.552 3 5 0 -4.16691328177526 2727137 COC(=O)C1=CN=C(C=C1C(F)(F)F)OC2=CC=C(C=C2)NC(=O)NC(=O)C3=CC=CC=C3Cl 1 4.805 3 5 0 -4.06356588192855 2727136 COC(=O)C1=CN=C(C=C1C(F)(F)F)OC2=C(C=C(C=C2Cl)N)Cl 1 4.158 2 3 -0.74600918622509 2727131 CC(C#C)OC(=O)NC1=C(C=CN=C1)C(F)(F)F 1 2.955 2 2 -3.27321890993389 2727129 CC1=C(C(=CC=C1)C)NC(=O)NC(=O)C2=C(C=CN=C2OC)C(F)(F)F 1 3.681 3 3 -5.39893952470351 2727128 C1=CC(=CN=C1)C(=O)OC2=CC=C(C=C2)CC#N 1 2.025 2 2 -8.54523453326479 2727126 C1=CC(=CC=C1CC#N)OC(=O)C2=C(C=CN=C2)C(F)(F)F 1 2.967 2 2 -3.75220741197384 2727125 C1=CC(=CC=C1CC#N)OC(=O)C2=CC=NC=C2 1 2.025 2 2 -6.91614572528507 2727122 CC(C)(C(=O)O)ONC(=O)NC1=CC=CC=C1Cl 1 1.734 2 4 0 -2.99619053412835 2727113 COC1=NC=CC(=C1C(=O)NC(=O)NC2=CC=CC=C2)C(F)(F)F 1 2.709 3 3 -3.79670282515179 2727043 CCN(C1=CC=C(C=C1)Cl)C(=O)C2=CN=C(C=C2C(F)(F)F)NC(C)C 1 4.227 3 1 -6.89928606835983 2727048 C1=CC=C(C=C1)NC(=O)NC(=O)C2=C(C=CN=C2)C(F)(F)F 1 2.186 3 2 -0.932768784325102 2727054 CCCNC(=O)NC(=O)C1=C(C=CN=C1)C(F)(F)F 1 1.482 3 2 0 -8.48268097750049 2727056 CCN(C1=C(C=C(C=C1)Cl)Cl)C(=O)C2=CN=C(C=C2C(F)(F)F)NC(C)C 1 4.891 3 1 -7.35893983890154 2727089 CC1=C(C(=CC=C1)C)N2C(=NN=N2)C3=C(C=CN=C3)C(F)(F)F 1 3.406 5 0 -5.88262621715865 2727088 CC1=C(C(=CC=C1)N2C(=NN=N2)C3=C(C=CN=C3)C(F)(F)F)C 1 3.406 5 0 -5.74817905318014 2727073 CCC1=CC=CC=C1N2C(=NN=N2)C3=C(C=CN=C3)C(F)(F)F 1 3.376 5 0 -8.41171480682089 2727066 C1=CC(=CC=C1N2C(=NN=N2)C3=C(C=CN=C3)C(F)(F)F)Cl 1 3.098 5 0 -2.95993221636935 2727064 C1=CC=C(C=C1)NC(=O)NC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F 1 4.376 2 4 -6.77007934479591 2727063 COC1=CC=C(C=C1)NC(=O)NC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F 1 4.36 2 5 0 -7.17166798676626 2727060 CC1=CC(=C(C=C1)NC(=O)NC(=O)C2=C(C=CN=C2)C(F)(F)F)C 1 3.158 3 2 -4.66569456785986 2727024 CCC(C)SC1=NC=C(C(=C1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)Cl 1 5.401 2 1 -3.9175610049514 2727009 CCN(C1=C(C=C(C=C1)Cl)Cl)C(=O)C2=CN=C(C=C2C(F)(F)F)OC 1 4.812 2 2 -5.47044502084186 2726999 CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CN=C(C=C2C(F)(F)F)OC 1 4.47 2 2 -2.6108939660015 2726998 C1=CC=NC(=C1)C2=CC(=NO2)C3=C(C=C(C=C3)Cl)Cl 1 4.647 2 1 7.62870963437661 2726986 CN(CC1=CC(=CC=C1)Cl)C(=O)C2=CN=C(C=C2C(F)(F)F)OC 1 3.806 2 2 -2.17299770538145 2726984 COC1=NC=C(C(=C1)C(F)(F)F)C(=O)NCC2=CC(=CC=C2)Cl 1 3.6 2 2 -5.95762319523789 2726978 CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)Cl 1 3.591 3 1 -2.16683446049443 2726976 CN(CC1=CC(=CC(=C1)Cl)Cl)C(=O)C2=CN=C(C=C2C(F)(F)F)OC 1 4.47 2 2 -2.60456730805225 2726975 COC1=NC=C(C(=C1)C(F)(F)F)C(=O)NCC2=CC(=CC(=C2)Cl)Cl 1 4.264 2 2 -7.39153238288685 2726968 CN(C1=CC=C(C=C1)Cl)C(=O)C2=CN=C(C=C2C(F)(F)F)OC 1 3.799 2 2 -1.22474810147698 2726966 CCN(C1=CC=C(C=C1)Cl)C(=O)C2=CN=C(C=C2C(F)(F)F)OC 1 4.148 2 2 -5.01079125030015 2726956 CC1=NC(=C(O1)C(F)(F)F)C2=NOC(=N2)C3=CC=C(C=C3)Cl 1 3.629 3 2 7.50602441854936 2726955 CC1=NC(=C(O1)C(F)(F)F)C2=NOC(=N2)C3=CC(=CC=C3)Cl 1 3.629 3 2 8.96886730524628 2726954 CC1=NC(=C(O1)C(F)(F)F)C2=NOC(=N2)C3=CC=CC=C3Cl 1 3.629 3 2 5.4729677087767 2726944 C1=CC(=CC(=C1)Cl)C(=O)CNC(=O)C2=C(C=CN=C2)C(F)(F)F 1 2.75 2 2 -3.78380815820464 2726936 CC1=NC(=C(O1)C(F)(F)F)C(=O)NCC(=O)C2=CC=C(C=C2)Cl 1 2.778 2 3 -6.77560861635805 2726935 CC1=NC(=C(O1)C(F)(F)F)C(=O)NCC(=O)C2=CC=CC=C2 1 2.114 2 3 -9.39325487445421 2726931 CC1=NC(=C(O1)C(F)(F)F)C2=NN=C(O2)C3=CC=CC=C3 1 2.874 3 2 2.74405822220018 2726926 CC1=NC(=C(O1)C(F)(F)F)C(=O)NNC(=O)C2=CC=CC=C2 1 1.691 3 3 0 -5.94904955211296 2726925 CC1=NC(=C(O1)C(F)(F)F)C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 2.356 3 3 -3.3314032940168 2726924 CC1=NC(=C(O1)C(F)(F)F)C(=O)NNC(=O)C2=CC(=CC=C2)Cl 1 2.356 3 3 -2.68048854045895 2726923 CC1=NC(=C(O1)C(F)(F)F)C(=O)NNC(=O)C2=CC=CC=C2Cl 1 2.356 3 3 -6.53564657519132 2726913 C1=CC=C(C(=C1)C2=NC(=NO2)C3=C(C=CN=C3)C(F)(F)F)F 1 3.142 3 1 2.15964846040879 2726902 CN(C1CCCCC1)C(=O)NC2=C(C=CN=C2)C(F)(F)F 1 2.802 3 1 -2.77555380099197 2726889 C1CCC(CC1)C2=NN=C(O2)C3=C(C=CN=C3)C(F)(F)F 1 3.307 3 1 -1.93475369227608 2726885 C1=CC(=CC(=C1)Cl)C(=O)NNC(=O)C2=C(C=CN=C2)C(F)(F)F 1 2.327 3 2 -1.86198881777224 2726879 C1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C=CN=C2)C(F)(F)F 1 1.663 3 2 0 -5.13054982942625 2726877 C1=CC(=CC=C1C(=O)NNC(=O)C2=C(C=CN=C2)C(F)(F)F)Cl 1 2.327 3 2 -2.51290357133008 2726873 CSC1=NC(=NC(=C1C#N)N)C2=CC=C(C=C2)Cl 1 3.088 4 0 0.412058510356265 2726872 CC1=CC=C(C=C1)C2=NC(=C(C(=N2)SC)C#N)N 1 2.909 4 0 -1.40994018023055 2726867 C#CCOC(=O)NC1=C(C=CN=C1)C(F)(F)F 1 2.577 2 2 -5.45476366666969 2726865 C#CC1CCCCC1NC(=O)NC2=C(C=CN=C2)C(F)(F)F 1 3.556 3 1 -6.41089680435544 2726859 CNC1=NC2=C(C=C(C=C2S1)Cl)Cl 1 3.12 2 0 3.84625703175497 2726857 CN(CC1=CC=CC=C1Cl)C(=O)C2=C(C=CN=C2)C(F)(F)F 1 3.283 2 1 -1.40880141698907 2726855 C1=CC=C(C(=C1)CNC(=O)C2=C(C=CN=C2)C(F)(F)F)Cl 1 3.077 2 1 -7.12101237258735 2726853 CCOC1=CC=CC(=C1)NC(=O)C2=C(C=CN=C2)C(F)(F)F 1 2.738 2 2 -3.50288033107748 2726851 C1=CC(=C(C=C1F)F)CNC(=O)NC2=C(C=CN=C2)C(F)(F)F 1 2.732 3 1 -5.01101662360953 2726849 C1CCC(CC1)NC(=O)NC2=C(C=CN=C2)C(F)(F)F 1 2.596 3 1 -7.63898282497653 2726843 C1=CC=C(C(=C1)C(=O)NC(=O)C(=O)NC2=CC=C(C=C2)Cl)Cl 1 3.081 2 3 -6.22478891512407 2726842 CC(C)(C)NC(=O)C(=O)NC(=O)C1=C(C=CC=C1Cl)F 1 1.977 2 3 0 -10.932082400087 2726834 CN(C1=CC=C(C=C1)Cl)C(=O)C2=C(C=CN=C2)C(F)(F)F 1 3.276 2 1 0.958408850551683 2726832 CC(C)OC1=CC=CC(=C1)NC(=O)C2=C(C=CN=C2)C(F)(F)F 1 3.116 2 2 -4.6351524758572 2726815 C1CSCC2=C1NN(C2=O)C3=CC=CC=C3 1 1.053 2 1 0 -4.33734314851866 2726812 COC(=O)C1=C(N=C2C=CC(=CC2=C1)Cl)SC 1 3.617 1 2 -1.46267454235726 2726774 C1=CC=C2C(=C1)C(=O)C(=O)NN2 1 0.692 2 2 0 -2.18729767681578 2726771 C1=CC(=CC=C1C(=O)COC(=O)C(C(C(=O)OCC(=O)C2=CC=C(C=C2)C(F)(F)F)O)O)C(F)(F)F 1 3.183 0 8 0 -4.94449014701867 2726768 C1=CC(=CC=C1C(=O)COC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F 1 4.488 0 6 -8.80479732786554 2726767 CC(=O)CCC(=O)OCC(=O)C1=CC=C(C=C1)C(F)(F)F 1 2.165 0 4 -12.1671788120834 2726750 CC(C)NC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2 1 3.208 2 1 -10.6273942836732 2726749 CC(C)NC(=O)N(CC1=CC=C(C=C1)Cl)CC2=CC=CS2 1 3.873 2 1 -7.89318646178195 2726746 CCOC(=O)CNC(=S)NN(C)C 1 0.356 3 2 0 -12.6183833673096 2726744 CC(C)(C)C(=O)N(CC1=CC=C(C=C1)Cl)CC2=CN=CC=C2 1 3.806 2 1 -3.8377206299763 2726731 CNC(=S)N(CC1=CC=C(C=C1)Cl)CC2=CC=CS2 1 4.765 2 0 -7.45672590937948 2726729 CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2 1 3.21 3 0 -9.82850171689073 2726669 C1C(=O)N(C(=S)N1)CCC2=CC=C(C=C2)Cl 1 2.708 2 1 -2.21029061845549 2726677 C1C(=O)N(C(=S)N1)CC2=CC=CC=C2Cl 1 2.387 2 1 -4.23704914547229 2726678 C1C(=O)N(C(=S)N1)CC2=CC=C(C=C2)Cl 1 2.387 2 1 -1.78483289497082 2726679 COC1=CC=C(C=C1)CN2C(=O)CNC2=S 1 1.706 2 2 0 -4.01979779470178 2726681 C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=NS3 1 2.696 4 1 -5.55216673080561 2726683 C1C(=O)N(C(=S)N1)CC2=CC(=CC=C2)Cl 1 2.387 2 1 -1.60921039132115 2726716 C1=CC(=C(C(=C1)Cl)CNC(=O)C2=CC3=C(C=C2)N=NS3)Cl 1 4.123 3 1 -11.7582663686659 2726714 C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=NS3 1 2.794 3 1 -11.4993257540607 2726710 C1=CC=C(C(=C1)CNC(=O)C2=CC3=C(C=C2)N=NS3)Cl 1 3.459 3 1 -12.0481502797646 2726703 C1C(=O)N(C(=S)N1)CCOC2=CC=CC=C2 1 1.771 2 2 0 -4.93104012079264 2726701 CC(C)(C)C(=O)OCC1=NC(=CS1)C2=CC=C(C=C2)C(F)(F)F 1 4.688 1 2 4.40471078326427 2726696 C1C(=O)N(C(=S)N1)CCC2=CC=CC=C2Cl 1 2.708 2 1 -5.20940077162417 2726694 CC1=CC(=NO1)NCC2=CN=CC=C2 1 0.737 3 1 0 -9.96984559870407 2746611 CSC1=NN(C(=N1)N)C2=NC=CC(=C2)C(F)(F)F 1 2.561 5 0 4.6971838154047 2746600 CC(C)(C)NC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl 1 2.806 4 1 -3.53716723781138 2746598 CS(=O)(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl 1 1.669 3 2 0 -5.63474977184169 2746594 CC(C)(C)C(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl 1 3.425 3 1 0.289070142768785 2746577 CSC1=NN=C(O1)C2=NC=C(C=C2)C(F)(F)F 1 2.432 3 1 -3.46886848091762 2746575 C#CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(O2)C3=NC=C(C=C3)C(F)(F)F 1 4.196 4 2 -10.1246389087584 2746574 C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=C(O2)C3=NC=C(C=C3)C(F)(F)F 1 3.733 4 2 -10.2157086008752 2746573 C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(O2)C3=NC=C(C=C3)C(F)(F)F)Cl 1 3.733 4 2 -12.9639135861545 2746571 C1=CC(=NC=C1C(F)(F)F)C2=NNC(=S)O2 1 2.763 3 1 -3.5014173271299 2746570 CS(=O)(=O)NNC(=O)C1=C(C=CS1)OCC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.189 3 4 0 -5.29263326520521 2746548 CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(F)(F)F)C(F)(F)F 1 4.038 4 3 0 -4.21215109503282 2746547 CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCNCC2)C(F)(F)F 1 1.636 4 2 0 -7.83349826472126 2746544 CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)C3=CC=CC=C3)C(F)(F)F 1 3.095 4 3 0 -7.00059365438659 2746535 CC1=C(SN=N1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N 1 0.639 6 1 0 -11.2617927056073 2746481 C1=CC(=CC(=C1)CN2C=C(C=CC2=O)C(F)(F)F)C(=O)SC3=CC=C(C=C3)Cl 1 5.022 1 2 4.74406833962207 2746480 C1=CC=C(C=C1)SC(=O)C2=CC(=CC=C2)CN3C=C(C=CC3=O)C(F)(F)F 1 4.358 1 2 1.90151019719436 2746476 C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3C=C(C=CC3=O)C(F)(F)F 1 3.152 2 2 -4.68279516099548 2746472 C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=NC(=C4)OCC(F)(F)F)OCC(F)(F)F 1 6.666 4 3 0 -10.7361741922978 2746469 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N=C(C3=CC=C(C=C3)C(F)(F)F)N 1 4.029 3 2 0.643640537367824 2746468 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N=C(C3=CC=C(C=C3)Cl)N 1 3.751 3 2 -1.13012765937765 2746464 C1=CC(=C(C(=C1)Cl)CSC2=NN=C(O2)C3=CN=C(C=C3)OCC(F)(F)F)Cl 1 5.504 3 2 -8.85073560612175 2746462 C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CN=C(C=C3)OCC(F)(F)F 1 4.175 3 2 -9.17365327851472 2746452 C1=CC(=CC(=C1)CN2C=C(C=CC2=O)C(F)(F)F)C#N 1 2.247 2 1 -1.80456815498556 2746442 C1=CC(=C(C=C1Cl)Cl)NC(=S)N 1 3.409 2 0 0.374463453291898 2746441 C1=CC(=CC=C1C(=O)N=C(C2=NC=C(C=C2)C(F)(F)F)N)OC(F)(F)F 1 4.881 3 2 -0.792784589850243 2746440 C1=CC(=CC(=C1)C(F)(F)F)C(=O)N=C(C2=NC=C(C=C2)C(F)(F)F)N 1 3.703 3 1 -1.13409399266369 2746427 C1=CC2=C(N=C1)N(C(=O)O2)CC(=O)NC3=CC=C(C=C3)C(F)(F)F 1 2.513 3 3 -1.7843303610373 2746411 CC(C)C1=CC=C(C=C1)NC(=O)CN2C3=C(C=CC=N3)OC2=O 1 2.765 3 3 -5.09663755171796 2746403 CC1=CC(=C(C(=O)N1CC2=CC=CC=C2F)C#N)C 1 2.47 2 1 -5.00005177670224 2746396 C1CN(C=C(C1C(F)(F)F)C(=O)N)CC2=CC=C(C=C2)Cl 1 2.669 2 1 0.613095074454639 2746342 C1=CN(C(=O)C(=C1)C(F)(F)F)CC(=O)C2=CC=C(C=C2)Cl 1 2.704 1 2 -3.25880165831177 2746324 CCOC(=O)C1=C(N=C(C(=C1)C#N)NC2=CC=CC=C2OC)C(F)(F)F 1 3.568 3 3 -5.53213958256915 2746309 CC1=CC=C(C=C1)NC(=O)CCN2C=C(C=CC2=O)C(F)(F)F 1 2.155 2 2 -5.46241107707857 2746300 CC1=NC(=NC(=C1)C(=O)OC)SC2=CC=CC=C2NC(=O)C 1 2.377 3 3 -13.4680162003258 2746297 CC1=NC(=NC(=C1)C(=O)OC)SC2=CC=CC=C2N 1 2.51 3 2 -8.83866039854107 2746295 CC(=O)NC1=CC(=C(C=C1)Br)Cl 1 2.363 1 1 -1.95397812649675 2746286 CC1=NC(=NC(=N1)N)COC2=CC=CC=C2 1 1.131 4 1 0 -3.63866078819842 2746266 C1CN(CCC1C(F)(F)F)C2=NC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl 1 3.642 4 1 1.97836611391669 2746257 CC1=CC(=NO1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3 1 2.072 5 2 0 -16.561082751334 2746256 CC1=CC(=NO1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3Cl 1 2.737 5 2 0 -16.4037643415345 2746254 CC1=CC(=NO1)C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)C(F)(F)F 1 3.015 5 2 0 -12.8086617256283 2746194 C1=CC(=C(C=C1C=NN=C(N)N)Cl)Cl 1 2.192 4 0 5.71973127353115 2746176 CCOC(CC(=O)NNC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)Cl)C)OCC 1 2.833 3 5 0 -17.3184103785208 2746175 CCOC(CC(=O)NNC(=O)C1=C(ON=C1C2=CC=CC=C2Cl)C)OCC 1 2.169 3 5 0 -13.5272748145282 2746137 C1=CC(=CC(=C1)NC(=O)CCN2C=CC=C(C2=O)C(F)(F)F)C(F)(F)F 1 2.611 2 2 -3.88179574745223 2746050 C1=CC=C(C=C1)OCC(=S)N 1 1.535 1 1 0 -2.11858472710453 2746016 CC(=O)C(C(=O)C)SC1=NN=NN1C2=CC=CC=C2 1 1.313 4 2 0 -13.287100997678 2745985 C1=CC(=CC=C1C(=O)NNC(=O)C2=CSC(=N2)C3=C(C=CN=C3)C(F)(F)F)C(F)(F)F 1 3.414 4 2 -0.638552296032787 2745984 C1=C(C=NC(=C1Cl)C2=NC(=CS2)C(=O)NN)C(F)(F)F 1 2.033 4 1 2.13015394520359 2745970 COC(C1=NC(=NC=C1C(=O)O)SCC(=O)NC2=CC(=CC=C2)Cl)OC 1 2.351 3 5 0 -9.35383994116506 2745946 CCOC(=O)C1=CN=C(NC1=O)COC2=CC=CC=C2Cl 1 1.581 2 4 0 -7.61003509286451 2745941 CCOC(=O)C1=CN=C(NC1=O)C2=NC=C(C=C2)C(F)(F)F 1 1.301 3 3 0 -6.43062604661879 2745923 CCOC(=O)C1=CN=C(NC1=O)COC2=CC=C(C=C2)OC 1 0.9 2 5 0 -7.55298725357414 2745917 CC1=CC=C(C=C1)C(=O)ON=C(C2=NC=C(C=C2)C(F)(F)F)N 1 3.093 3 2 2.94379877566588 2745909 C1=CC(=C(C=C1Cl)Cl)C(=NO)N 1 2.228 2 1 5.46936619225421 2745838 CC1=C(SN=N1)C2=C(C(=NN2C3=CC=C(C=C3)OC(F)(F)F)C)C(=O)O 1 5.017 4 3 0 -2.86014144110015 2745837 CC1=C(SN=N1)C2=C(C(=NN2C3=CC=C(C=C3)OC(F)(F)F)C)C(=O)OC 1 5.243 4 3 0 -5.53969973881323 2745836 CC1=C(SN=N1)C2=C(C(=NN2C3=CC=CC=C3)C)C(=O)OC4=CC=CC=C4 1 4.699 4 2 -8.51943998959376 2745834 CC1=C(SN=N1)C2=C(C(=NN2C3=CC=CC=C3)C)C(=O)N4CCOCC4 1 2.369 5 2 0 -11.626611211597 2745833 CC1=C(SN=N1)C2=C(C(=NN2C3=CC=C(C=C3)Cl)C)C(=O)N4CCOCC4 1 3.033 5 2 0 -9.13812001042254 2745826 CC1=NOC2=C1C(=NC=N2)SCC3=CC=C(C=C3)C(F)(F)F 1 3.793 3 1 -2.88068731464478 2745825 CC1=CC=C(C=C1)CSC2=NC=NC3=C2C(=NO3)C 1 3.337 3 1 -6.66475079631088 2745800 CC1=C(C(=S)N=C(N1)C2=CC=CC=C2)C(=O)C 1 2.02 2 1 -7.66034912160398 2745792 CC1=C(C(=S)N=C(N1)C2=CC=CC=C2OC)C(=O)C 1 2.004 2 2 -9.46027249844333 2745786 CC1=CC(=NO1)C2=NC(=C(S2)C3=NN=C(N3C)SCC(=O)NC4=CC=CC=C4)C 1 3.027 6 2 0 -15.0929612318094 2745785 CC1=CC(=NO1)C2=NC(=C(S2)C3=NN=C(N3C)SCC(=O)NC4=CC=C(C=C4)Cl)C 1 3.691 6 2 0 -13.1143084028492 2745782 CC1=CC(=NO1)C2=NC(=C(S2)C3=NN=C(N3C)SCC(=O)NC4=CC(=CC(=C4)Cl)Cl)C 1 4.356 6 2 0 -14.1487597965944 2745716 CCOC(CC1=NNC(=S)N1C)OCC 1 1.188 3 2 0 -5.99207044283147 2745719 CC(=O)NC1=NC=CC(=N1)C2=CC(=NO2)C3=CC=CC=C3 1 2.332 4 2 -0.877898053920654 2745721 CC1=C(C(=NO1)C2=CC=CC=C2)C3=NC(=NC=C3)N 1 2.319 4 1 1.12458762192493 2745725 CC1=CC(=NO1)C2=C(C(=NN2C3=CC=CC(=C3)C(F)(F)F)C)C(=O)N4CCOCC4 1 3.221 4 3 0 -6.6235235546325 2745727 CC1=CC(=NO1)C2=C(C(=NN2C3=CC=CC=C3)C)C(=O)N4CCOCC4 1 2.278 4 3 0 -11.3871451266238 2745730 CC1=CC(=NO1)C2=C(C(=NN2C3=CC(=C(C=C3)F)Cl)C)C(=O)NC 1 3.255 4 2 -7.70248302103 2745731 CC1=NC=CC(=N1)C2=CC(=NO2)C3=C(C=C(C=C3)Cl)Cl 1 3.975 3 1 5.29718627301734 2745738 C1=CC(=C(C=C1Cl)Cl)C2=NOC(=C2)C3=NC(=NC=C3)N 1 3.793 4 1 5.3621534733643 2745770 CC1=CC(=NO1)C2=NC(=C(S2)C(=O)NNC(=S)NC)C 1 1.402 5 2 0 -14.6096306865326 2745745 CC(=O)C1=CC=C(C=C1)OCC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.808 1 2 0.788429291366985 2745744 C1=C(C=C(C=C1Cl)Cl)OCC2=C(C=C(C=N2)C(F)(F)F)Cl 1 5.397 1 1 5.33483599728765 2745741 COC(C1=C(C=C2C(=C(SC2=N1)C(=O)C3=CC=C(C=C3)Cl)N)C(=O)OC)OC 1 3.515 2 5 0 -7.77139845770585 2726661 C1C(=O)N(C(=S)N1)CCCN2C=CN=C2 1 -5.7e-002 4 1 0 -2.6236157806529 2726660 C1C(=O)N(C(=S)N1)CCC2=CC(=C(C=C2)O)O 1 1.56 2 3 0 1.40461883132229 2726646 CC(C)(C)C(=O)OCC1=NC(=CS1)C2=CC=C(C=C2)Cl 1 4.411 1 2 2.78435042144426 2726641 CC1=NC(=NC(=N1)NN=CC2=C(C=CC=C2Cl)F)N 1 2.048 6 0 -5.08658533321989 2726628 CCOC(=O)CNC(=S)SC 1 1.724 1 2 0 -8.47805646263635 2726627 CC1=C(C(=NO1)C2=C(C(=CC=C2)Cl)Cl)C(=O)ON=C(C3=CC=C(O3)[N+](=O)[O-])N 1 3.676 4 6 0 -3.55679298903471 2726626 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)ON=C(C3=CC=C(O3)[N+](=O)[O-])N 1 3.217 4 6 0 -4.91860235441807 2726625 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)ON=C(C3=CC=C(O3)[N+](=O)[O-])N 1 3.011 4 6 0 -1.91395230019582 2726624 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)ON=C(C3=CC=C(O3)[N+](=O)[O-])N 1 2.347 4 6 0 -1.3509160359105 2726592 CN(C)C1=NC(=NC(=N1)N)SC 1 0.846 5 0 0 -1.76228629010046 2726585 CC(C)(C)C1=CC=C(C=C1)N2C(=O)CSC2=N 1 3.282 2 1 -3.1344892964112 2726567 C1=CC=C(C(=C1)C(F)(F)F)NC2=C(C(=O)NS2)C#N 1 2.647 3 1 -2.69229065109294 2726559 C1=CC=C(C(=C1)NC2=C(C(=O)NS2)C#N)Cl 1 2.369 3 1 -2.03421191693043 2726558 C1=CC(=CC=C1NC2=C(C(=O)NS2)C#N)Cl 1 2.369 3 1 -0.501923981647989 2726555 C1=CC=C(C=C1)NC2=C(C(=O)NS2)C#N 1 1.704 3 1 0 -2.48057681060816 2726548 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=NC(=NN3)SC 1 3.854 5 2 0 -12.3815713043555 2726544 CN(C)C(=O)NC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)OC 1 2.861 3 4 0 -9.75599948886653 2726540 COC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)Cl)NC(=O)NN3CCOCC3 1 2.057 4 5 0 -13.479707474228 2726539 COC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)Cl)NC(=O)NN3CCCCC3 1 3.287 4 4 0 -11.6596774047587 2726524 CN(C)NC(=O)C1=CSN=C1C2=C(C=CC=C2Cl)Cl 1 3.04 3 1 -5.33324743301717 2726519 CN(C)C(=O)NNC(=O)C1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)OC 1 2.285 4 5 0 -9.94384649845095 2726518 CNC(=O)NNC(=O)C1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)OC 1 2.079 4 5 0 -13.0612075689242 2726513 C1C2CC3CC1CC(C2)(C3)C4=NC(=S)NN4 1 2.787 3 0 1.31874173160996 2726512 C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=S)N 1 1.879 3 1 0 -5.21113740798372 2726492 COC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)Cl)C(=O)NN 1 2.216 3 4 0 -8.88313462068422 2726491 COC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)Cl)C(=O)OC 1 3.561 1 5 -7.7699469155105 2726488 C1CCN(CC1)C(=S)SCC(=O)C2=C(C=CC=C2F)F 1 4.788 1 1 -7.2542904457992 2726479 CCOC(=O)C1=CC(=NO1)C2=C(C=CC=C2Cl)Cl 1 4.055 1 3 -2.58217354972757 2726475 CNC(=O)NC1=CC=CC(=C1)C2=CC(=NO2)C3=C(C=CC=C3Cl)Cl 1 4.485 3 2 0.696906858804019 2726474 CC(C)(C)C(=O)NC1=CC=CC(=C1)C2=CC(=NO2)C3=C(C=CC=C3Cl)Cl 1 6.036 2 2 -5.22179645064625 2726471 CSC(=NCC1=CC=CO1)NC#N 1 1.533 3 1 0 -3.0012309254519 2726454 CC(=O)NC1=CC=CC(=C1)C2=CC(=NO2)C3=C(C=CC=C3Cl)Cl 1 4.489 2 2 0.837958105162432 2726440 CC(C)(C)C(=O)ON=C(C1=CC=C(S1)[N+](=O)[O-])N 1 2.241 3 4 0 0.578246694198877 2726438 C1CC1C(=O)ON=C(C2=CC=C(S2)[N+](=O)[O-])N 1 1.452 3 4 0 -1.33272050073364 2726416 CC1=C(C(=O)C=CN1)OCC2=CC=CC=C2 1 1.134 1 2 0 -5.64541410299169 2726411 CN(C)NC(=O)C1=CC=C(S1)[N+](=O)[O-] 1 0.724 3 3 0 -1.94261291675862 2726389 C1=CC(=C(C(=C1)Cl)C2=NOC(=N2)N)Cl 1 2.344 3 1 0.646668645564129 2726387 CCOC(=O)NC(=S)NC1=C(C=C(C=C1)C(C)(C)C)Br 1 5.242 2 2 -4.8882833194028 2726385 CCOC(=O)NC(=S)NC1=CC=C(C=C1)C(C)(C)C 1 4.494 2 2 -5.55294260486017 2726383 CC1C(=O)N(C(=NN=CC2=CC(=CC=C2)[N+](=O)[O-])S1)C(C)(C)C 1 3.466 4 3 0 -8.77143667137542 2726376 CC(C)(C)NC(=S)NN=CC1=C(C=CC=C1Cl)Cl 1 4.491 3 0 -10.1846860900706 2726367 CC(C)(C)C(=O)NC(=O)NC1=CC=CC=C1C(F)(F)F 1 3.219 2 2 -9.94346669984399 2726363 C1=CC(=CC=C1CC(=O)C2=CC=C(C=C2)O)Cl 1 3.691 0 2 3.09144716679496 2726361 CC1C(=O)N=C(S1)NN=C(C)C 1 0.741 3 1 0 -7.68017424279274 2726354 CC1=CC(=C2C(=C1)OC=C(C2=O)C#N)C 1 2.199 1 2 -4.70500267564577 2726350 C1=CC=C(C=C1)C=NNC2=C(C=NC=C2Cl)Cl 1 3.627 3 0 3.62558952925098 2726346 C1=CC(=C(C(=C1)Cl)C=NNC2=C(C=NC=C2Cl)Cl)Cl 1 4.955 3 0 1.89079075809054 2726332 CC(C)NC(=O)NNC1=C(C=NC=C1Cl)Cl 1 1.873 4 1 0 -7.15699003430177 2726312 CN(C)C(=O)OC1=NOC2=CC=CC=C21 1 1.992 2 3 0 -2.87762115228802 2726311 CN(C)C(=O)OC1=NOC2=C1C=CC(=C2)Cl 1 2.656 2 3 -0.602088934595904 2726309 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 5.038 2 5 0 -10.9496070236636 2726308 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 5.703 2 5 0 -8.80255689997445 2726307 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC(=O)C3=CC=C(C=C3)Cl 1 5.808 1 3 -7.84933954723804 2726303 CC1=C(C(=O)C=CN1)OCC(=O)O 1 -0.968 1 4 0 -11.1926906039162 2726299 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)NC(=O)NNC3=C(C=NC=C3Cl)Cl 1 4.598 5 2 0 -5.00215838538772 2726277 C1=C(C=C(C=C1Cl)Cl)N2C(=C(N=N2)C#N)N 1 2.603 5 0 -3.85333664538773 2726271 CC1=CC(=O)N=C(N1)C2=CC=CS2 1 1.384 2 1 0 -10.0472728701589 2726270 CCOC(=O)C1=CC(=NC(=C1C#N)SC)C(C)(C)C 1 3.672 2 2 -10.6328904114238 2726260 C1CCN(CC1)C2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N 1 5.019 3 0 -2.24561777779081 2726258 CN(C)C1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N 1 4.102 3 0 -4.04154121934744 2726257 CNC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N 1 3.748 3 0 -3.84076291339713 2726255 CC1=CC(=O)N=C(N1)C2=CN=CC=C2 1 0.28 3 1 0 -8.8323820141401 2726252 CN(C)C=NC1=NON=C1C2=CC=C(C=C2)Cl 1 2.292 4 1 4.26242807913865 2726251 CN(C)C=NC1=NON=C1C2=CC=CC=C2 1 1.628 4 1 0 1.96591297223663 2726250 COC1=NC2=C(C=C(C=C2)Br)C(=C1)C(=O)OC 1 3.142 1 3 -4.23431123203947 2726235 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)NC(=O)NNC3=CC=CC=N3 1 3.808 5 2 0 -5.65468168908502 2726233 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)NC(=O)NNC3=CC=CC=C3 1 4.42 4 2 -4.79978654275356 2726232 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)NC(=O)NN(C)C 1 2.535 4 2 -6.45372419312627 2726227 C1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C(F)(F)F 1 2.166 2 1 -2.80378447937071 2726225 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)ON=C(C#N)C3=CC=CC=C3 1 5.024 3 3 -9.40905600487803 2726220 CCOC(=O)C1=CC(=NC(=C1C#N)S(=O)(=O)C)C 1 1.11 2 4 0 -13.0972574816149 2726219 CCOC(=O)C1=CC(=NC(=C1C#N)SCC=C)C 1 2.742 2 2 -13.9945841932538 2726218 CCOC(=O)C1=CC(=NC(=C1C#N)SCC#C)C 1 3.318 2 2 -14.3915487518895 2726217 CCOC(=O)C1=CC(=NC(=C1C#N)SC)C 1 2.126 2 2 -10.7389636250862 2726215 CC1=CC(=NN1C2=CC=CC=C2)NC(=O)OC 1 2.504 3 2 -3.79865512391596 2726214 CC1=CC(=NN1C2=CC=CC=C2)NC(=O)OCC#C 1 3.696 3 2 -5.1851292206364 2726209 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=NOC(=O)N(C)C)N 1 2.799 4 3 0 -6.82359401826883 2726199 CNC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F 1 2.83 2 1 -2.53217439741696 2726190 C1=CC(=C(C(=C1)Cl)C#N)N2C=CN=C2 1 2.043 3 0 -3.58397447475644 2726179 C1=CC(=C(C(=C1)N2C=CN=C2)C#N)N3C=CN=C3 1 1.048 5 0 0 -4.54703147395999 2726176 CC1=CC=C(C=C1)S(=O)(=O)C2=NC(=C(C(=C2C#N)C)[N+](=O)[O-])C 1 3.349 3 4 0 -9.59604927209115 2726174 CC1=C(C(=NC(=C1[N+](=O)[O-])C)S(=O)(=O)C2=CC=CC=C2)C#N 1 2.863 3 4 0 -10.3037623169935 2726173 CC1=CC=C(C=C1)SC2=NC(=C(C(=C2C#N)C)[N+](=O)[O-])C 1 4.365 3 2 -0.837665070591037 2726172 CC1=C(C(=NC(=C1[N+](=O)[O-])C)SC2=CC=C(C=C2)Br)C#N 1 4.627 3 2 -0.284029530771853 2726170 CC1=C(C(=NC(=C1[N+](=O)[O-])C)SC2=CC=CC=C2)C#N 1 3.878 3 2 -1.57253370157335 2726148 CCOC(=O)CC1=CSC(=N1)NN=CC2=CC=C(C=C2)Cl 1 3.14 3 2 -5.9559292131282 2726143 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NNC3=CC=CC=C3 1 4.512 3 2 -9.38339708999007 2726141 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NN3CCCCCC3 1 4 3 2 -12.6902029572358 2726122 C1=CC(=CC=C1CC(=O)NC2=NC=CS2)[N+](=O)[O-] 1 1.541 3 3 0 -8.58972131246031 2726121 C1=CC(=CC=C1CC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-] 1 4.428 2 3 -5.2483065737629 2726113 CC1=C(C(=S)NC(=C1CCC#N)C)C#N 1 1.899 3 0 0 -6.93651960926754 2726107 CCC1=CC(=CC(=C1NC(=O)C)CC)S(=O)(=O)N 1 1.54 2 3 0 -8.51088319852343 2726102 C1COCCN1N=NC2=CC=C(C=C2)Cl 1 2.565 3 1 4.02876773171945 2726087 C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)SC3=CC=CC=N3 1 5.722 2 1 -5.34719835623306 2726069 C1COCCN1N=NC2=C(C(=CC=C2)Cl)Cl 1 3.23 3 1 2.26169559159525 2726056 CC1=CC(=NC2=C1C(=C(S2)C(=O)C3=CC=CC=C3Cl)N)C 1 4.122 2 1 -3.5444546582708 2726054 C1=CC(=CC=C1C(=O)NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.33 3 7 0 -12.5743844267166 2726053 C1=CC(=C(C(=C1)Cl)C(=O)NCCOC(=O)C2=C(C=CC=C2Cl)F)F 1 4.281 1 3 -10.8567490832567 2726048 COC1=CC=C(C=C1)C(=O)NN=CC2=COC3=CC=CC=C3C2=O 1 2.077 2 4 -4.82420674954328 2726047 C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=O)CCC3=CC=C(C=C3)O 1 2.343 2 4 -5.41265535598229 2726044 C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=O)C3=CC=CO3 1 1.489 2 4 0 -4.52856469371663 2726043 CC1=C(C(=NC(=C1[N+](=O)[O-])C)N2CCCCC2)C#N 1 2.22 4 2 -3.04429560365264 2726042 CC1=C(C(=NC(=C1[N+](=O)[O-])C)SC2=CC=C(C=C2)Cl)C#N 1 4.543 3 2 1.17263021432959 2726035 CC1=CC(=NC(=C1C#N)SC2=CC=CC=C2N)C 1 3.238 3 0 -5.88979169631581 2726018 C1CC(=O)N(C1)CC(CS(=O)(=O)C2=CC=CC=C2)O 1 0.498 1 4 0 -16.8378286069082 2726011 CC1=CC=C(C=C1)S(=O)(=O)CC(CN2CCCC2=O)O 1 0.985 1 4 0 -15.941818967672 2726010 C1CC(=O)N(C1)CC(CS(=O)(=O)C2=CC=C(C=C2)Cl)O 1 1.163 1 4 0 -14.1198202770852 2725998 C1=CC=C(C=C1)C2=NC(=CS2)C3=CN=CC=C3 1 3.006 2 0 3.99964375389173 2725997 C1=CC(=CN=C1)C2=CSC(=N2)C3=CN=CC=C3 1 1.856 3 0 0 2.9395049455519 2725977 CC(C)(C)C1=NC2=CC(=C(C=C2C(=O)O1)OC)OC 1 2.99 1 4 -4.12869648800314 2725972 CN(C)C1=NC(=NS1)C2=CC=CC=C2 1 1.862 3 0 0 3.42221994093913 2725968 CC1=C(C(=NC(=N1)C2=CC=NC=C2)NCCNC3=NC=C(C=C3)C(F)(F)F)Cl 1 2.658 6 0 7.03106696474257 2725961 CC1=C(C(=NC(=N1)C2=CC=NC=C2)NCCNC3=C(C=CC=N3)C(F)(F)F)Cl 1 3.131 6 0 5.90216415296075 2725960 C1=CC(=C(N=C1)NCCNCC(COC2=CC=C(C=C2)F)O)C(F)(F)F 1 2.899 3 2 -0.933389495135312 2725954 CC1=C(C(=S)N=C(N1)C2=CC=CC=N2)Cl 1 1.976 3 0 0 -3.71846710135859 2725945 C1CCC(C(C1)O)S(=O)(=O)CC2=CC=CC=C2 1 2.254 0 3 -3.15343059007597 2725943 C1CCC(C(C1)O)S(=O)(=O)CC2=CC=C(C=C2)Cl 1 2.918 0 3 -0.516616994709553 2725936 COC(=O)C1=CC(=CC=C1)CSC(=S)N2CCCC2 1 4.104 1 2 -11.0528087824516 2725935 CC1=CC(=S)N=C(N1)C2=CC=CC=N2 1 1.607 3 0 0 -4.92513132959941 2725934 CC1=CC=C(C=C1)SC2=NC(=NC(=C2)C)C3=CC=CC=N3 1 4.375 3 0 4.84631867177152 2725932 CC1=CC(=NC(=N1)C2=CC=CC=N2)OC3=CC=C(C=C3)Cl 1 3.995 3 1 5.04843076520373 2725930 COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C(=CC=C3)OC)OC2 1 2.746 1 4 -0.597667984749771 2725925 C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl 1 4.108 1 2 5.20362445772634 2725921 CC(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 2.672 2 4 -8.666372849283 2725868 C1=CC(=CN=C1)N2C(=NNC2=S)C3=CC=C(C=C3)Cl 1 3.192 4 0 -1.64364673212895 2725904 C1=CC(=CN=C1)NC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.2 3 0 9.32397095795826 2725900 C1CC12C(=O)N(C(=NC3=CC=CC=C3)S2)C4=CC=CC=C4 1 4.224 2 1 -1.27380850546188 2725893 C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2F)Br)F)Cl 1 4.438 1 1 -1.42574055810828 2725891 C1=CC=C(C=C1)C2C=C(NC(=S)N2)C3=CC=CC=C3 1 3.772 2 0 -5.20270638594136 2725836 CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CN=CC=C3)SC 1 3.148 3 1 -9.15734814963936 2725835 C1=CC=C(C=C1)CNC(=S)NCCNC(=O)CC2=CC=C(C=C2)O 1 2.89 3 2 -12.6914777929677 2725834 CSC1=NC2=CC=CC=C2C(=O)N1C3=CN=CC=C3 1 2.662 3 1 -12.1326141746366 2725833 CC1=CC2=C(C=C1)NC(=S)N(C2=O)C3=CN=CC=C3 1 3.054 3 1 -4.29048346035639 2725832 C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CN=CC=C3 1 2.568 3 1 -6.05169469654876 2725829 C1=CC=C(C=C1)C2=CN3C=C(C=C(C3=N2)Cl)C(F)(F)F 1 4.124 2 0 6.38508251726115 2725820 C1=CC=C(C=C1)S(=O)(=O)CC(CS(=O)(=O)C2=CC=C(C=C2)Cl)O 1 2.684 0 5 -4.81255049568653 2725817 COC1=CC(=C(C=C1)OC)S(=O)(=O)CC(CS(=O)(=O)C2=CC=CC=C2)O 1 1.987 0 7 0 -8.58435765331284 2725812 C1C2=CC=CC=C2N=C(S1)NCC3=CC=C(C=C3)Cl 1 4.413 2 0 -3.28277545448485 2725808 C1C(OC(=O)N1C2=CC=CC=C2)COC3=CC=C(C=C3)Br 1 4.027 1 3 -1.58072749202517 2725807 C1CSC(=NC2=CC=C(C=C2)Cl)S1 1 4.1 1 0 4.34773756119901 2725806 C1CSC(=NC2=CC=CC=C2Cl)S1 1 4.1 1 0 4.36684003352693 2725805 CC(C)N1CC(OC1=O)COC2=CC=CC=C2Cl 1 3.093 1 3 -2.69188181365389 2725803 CC(C)N1CC(OC1=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.757 1 3 -0.703398733519104 2725802 CC(C)N1CC(OC1=O)COC2=CC=C(C=C2)Br 1 3.177 1 3 -2.12757183182445 2725792 C1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC=C(C=C2)Br)O 1 3.225 0 4 -6.83255370611531 2725789 COC1=CC(=C(C=C1)OC)S(=O)(=O)CC(COC2=CC=CC=C2Cl)O 1 3.109 0 6 -9.1962701435517 2725780 C1COCCN1C(=O)NCCNS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F 1 0.765 3 4 0 -11.1268063363727 2725779 COC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)N2CCOCC2 1 -0.194 3 5 0 -15.1355394328492 2725761 CC(C)(C)C(=O)NC1=CC=C(C=C1)C2=CC3=C(O2)C=CC(=C3)Cl 1 5.274 1 2 2.61373795109893e-003 2725744 COC1=C(C=CC=C1Cl)C2=CN3C=CC=CC3=N2 1 3.165 2 1 5.39516014020537e-002 2725743 CC1=CC2=NC(=CN2C=C1)C3=C(C(=CC=C3)Cl)OC 1 3.651 2 1 0.605853714386599 2725742 C1CCN(C1)CC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F 1 3.302 2 1 -2.86991529135483 2725710 CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)C 1 1.917 2 1 0 -4.79061070505574 2725696 CCCCC1=C(NC(=NC1=O)N2CCCC2)C 1 2.244 3 1 -11.0009775481303 2725680 CCCCC1=C(NC(=S)NC1=O)C 1 2.41 2 1 -11.4410430331809 2725676 CC1=CC=C(C=C1)CC2=C(NC(=S)NC2=O)C 1 3.016 2 1 -10.5067782790426 2725675 CC1=NNC(=O)C1CC2=CC=CC=C2 1 1.291 2 1 0 -9.57141548182091 2725663 C1=CC(=CC=C1NC2=NN=C(S2)C(F)(F)F)Cl 1 3.23 3 0 2.62020772021152 2725662 CC1=NN=C(S1)NC2=CC=C(C=C2)Cl 1 2.141 3 0 -1.47192390315624 2725598 CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SC)C 1 3.259 4 0 -8.82206847096472 2725582 C1=CC=C(C=C1)CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O 1 3.067 2 4 -5.00298810849216 2725572 CC1=CC(=NC(=N1)N)NCCC2=CC(=C(C=C2)OC)OC 1 1.855 4 2 0 -3.87988226825411 2725571 CC1=CC(=NC(=N1)N)NCC2=CN=CC=C2 1 0.416 5 0 0 -2.85487843167387 2725560 CCOC(=O)C(C)OC1=CC=C(C=C1)NC(=O)C(Cl)(Cl)Cl 1 3.152 1 4 -12.4612968891505 2725559 CCOC(=O)C(C)OC1=CC=C(C=C1)NC(=O)C(Cl)Cl 1 2.669 1 4 -13.3798516758813 2725523 C1=CC=C(C=C1)CCNC(=S)NN=CC2=CC=CS2 1 4.089 3 0 -9.19396472543071 2725476 C1CCC(CC1)NC(=S)N2CCCCC2 1 3.969 2 0 -10.5857792222062 2725421 COC1=CC=CC=C1C=NNC(=S)NCC2=CC=CO2 1 2.98 3 2 -8.68957780933893 2725422 COC1=CC=CC(=C1OC)C=NNC(=S)NCC2=CC=CO2 1 2.964 3 3 -9.1625351390698 2725458 CC1=C(C=C(C=C1)NC(=S)NCCCN2CCOCC2)C 1 3.373 3 1 -10.8768690765015 2725457 C1COCCN1CCCNC(=S)N2CCOCC2 1 0.77 3 2 0 -13.7504132385541 2725444 CC1CCCC(N1C(=S)NCC2=CC=CO2)C 1 3.631 2 1 -12.2357438899825 2725436 CCNC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2O 1 3.403 3 2 -7.81879479833136 2725411 CCNC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2O 1 3.403 3 2 -7.89397410941079 2725405 C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3F 1 4.696 1 3 -10.4514788113697 2725403 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=S)NCC3=CC=CO3 1 4.096 4 4 0 -7.90209630311148 2725402 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=S)NC3=CC(=CC=C3)F 1 5.391 4 3 0 -3.12210188758285 2725396 CC(C)(C)NC(=S)NN=CC1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-] 1 4.262 4 3 0 -8.24505042146303 2725390 C1=CC(=C(C(=C1)Cl)Cl)N2C=CNC2=S 1 3.415 2 0 -2.4185576702934 2725350 CC1=C(C=C(C=C1)NC(=S)N2CCCCC2)C 1 4.937 2 0 -10.867651389577 2725347 CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=C(C=CC=C2Cl)Cl 1 4.792 3 2 -6.07685813949793 2725336 C1=CC=C(C=C1)NNC(=S)NC2=CC(=CC=C2)F 1 4.245 3 0 -0.146440752205558 2725328 C1COCCN1C(=S)NCCC2=CC=CC=C2 1 2.786 2 1 -13.1563121279734 2725327 CC1=C(C=CC(=C1)Br)NC(=S)N2CCOCC2 1 3.97 2 1 -13.0458264972609 2725324 C1=CC=C(C(=C1)C=NNC(=S)NC2=C(C(=CC=C2)Cl)Cl)Cl 1 6.079 3 0 -3.48350696250848 2725318 C1=CC=C(C=C1)CCNC(=S)NN=CC2=CC=CC=C2Cl 1 4.8 3 0 -6.16154095470021 2725313 CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC(=CC=C2)F 1 3.668 3 2 -6.50691466853833 2725312 CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NCCC2=CC=CC=C2 1 3.513 3 2 -12.0675208530789 2725299 CNC(=S)NCCC1=CC=CC=C1 1 2.562 2 0 -9.68841822295601 2725293 COC1=CC(=CC(=C1OC)OC)C=NNC(=S)NCC2CCCO2 1 2.541 3 4 0 -15.0127456645526 2725292 COC1=CC=C(C=C1)C=NNC(=S)NCC2CCCO2 1 2.573 3 2 -11.6679985723099 2725280 CC(C)NC(=S)NN=CC1=CN=CC=C1 1 1.807 4 0 0 -9.48633332264079 2725279 CC(C)(C)NC(=S)NN=CC1=CN=CC=C1 1 2.012 4 0 -9.22658398296768 2725238 C1=CC=C(C(=C1)NC(=S)NCCNC(=S)NC2=CC=CC=C2Cl)Cl 1 6.172 4 0 -7.19272711069305 2725200 CC1=C(C(=CC=C1)C)NC(=S)NC(C)(C)CO 1 3.527 2 1 -7.60366217186653 2725149 CC1=C(C=CC=C1Cl)NC(=S)NN=CC2=CC=CC=C2Cl 1 5.901 3 0 -2.14053296912054 2725147 CC1=CC=C(C=C1)NC(=S)NCCCOC 1 2.93 2 1 -11.8853981882106 2725146 CC1=CC(=C(C(=C1)C)NC(=S)NCCCOC)C 1 3.902 2 1 -11.6218250674736 2725142 CN(CCC#N)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)OC)N)C#N 1 2.411 6 1 0 -5.65460161642955 2725139 COCCCNC(=S)NN=CC1=CC(=C(C=C1)OC)Br 1 2.895 3 2 -11.5447343298278 2725136 COCCCNC(=S)NC1=CC(=CC=C1)SC 1 2.985 2 1 -9.78291833897587 2724805 C1COCCOCCOC2=C(C=CC(=C2)C(=O)O)OCCOCCO1 1 0.722 0 8 0 -6.47729893602723 2724803 C=CC1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2 1 1.643 0 6 0 -4.75181286167222 2724788 CN1C2=CC=CC=C2N=C1S(=O)(=O)O 1 1.425 2 3 0 -3.68053357369055 2724741 C1C(=CC(=O)N1)OCC2=CC=CC=C2 1 1.012 1 2 0 -4.80632519396993 2724630 C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCC(=O)O 1 2.691 1 4 -11.2115141032551 2724432 C1CN(CCC1(C(=O)[O-])NC2=CC=CC=C2)CC3=CC=CC=C3.[Na+] Na+ 1 1.41 2 2 0 -0.151612188867209 2724387 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=S)N 1 -1.481 5 4 0 -15.8683601483595 2724371 C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl Cl- 1 1.383 6 4 0 -19.3514158328846 2724368 C1=CC(=C(C=C1N)O)C(=O)[O-].[Na+] Na+ 1 -1.003 1 3 0 1.09589555112858 2724040 CC[C@@]12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2 1 3.824 2 1 -0.300608392335097 2723946 C1(=S)NN=C(N1N)NN 1 -0.962 6 0 0 -5.24290207066196 2723941 C1=CC=C(C=C1)COC2=C(C=C(C=C2)CCN)OCC3=CC=CC=C3.Cl Cl- 1 4.391 1 2 -4.93130302631616 2723891 C(CC(=O)O)[C@@H](C(=O)O)N.Cl Cl- 1 -3.459 1 4 0 -10.3335519356365 2723860 C1CNCC=C1C2=CC=CC=C2.Cl Cl- 1 1.87 1 0 0 -3.52745439745495 2723858 C1=CC=C2C(=C1)C(=CC=C2O)N.Cl Cl- 1 1.749 1 1 0 4.7172273038651 2723842 C1=CC2=C(C=C1Cl)NC(=S)S2 1 3.934 1 0 2.22274689247667 2723768 COC1=C(C=C2C(=C1)C=NC=C2CC3=CC=C(C=C3)Cl)OC.CS(=O)(=O)O CS(=O)(=O)O 1 4.194 1 2 2.11165158213027 2723722 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C 1 4.004 0 3 -31.8592718579257 2723650 C1CNC(=S)N1 1 0.476 2 0 0 -7.16289224467354 2723598 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.O.Cl Cl- H2O 1 2.606 2 0 6.60980659942404 2722200 CC1=CC2=NN(N=C2C=C1N)C3=CC(=C(C=C3)OC)Cl 1 3.559 4 1 8.14873618595623e-002 2721954 CC1=C(C(=CC=C1)NC(=NC(=O)C)NC2=NC(=CC(=N2)C)C)C 1 2.847 5 1 -3.67728527500916 2721395 CC1=NC(=C(C(=C1)COC)C#N)SCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.203 3 3 -12.2473931872459 2721335 C1=CC=C(C=C1)SCCNC(=S)NC(=O)C2=CN=CC=C2 1 2.951 3 1 -12.0228207266474 2721254 CC1=CC=CC2=C(C3=C(CCCCC3)N=C12)C(=O)O 1 4.108 1 2 -1.86622503678117 2720195 C1COCCN1C2=CC=C(C=C2)NC(=O)CN3C(=O)/C(=C/C4=CC(=C(C=C4)O)[N+](=O)[O-])/SC3=O 1 2.286 4 7 0 -5.24094542550834 2720171 CN=C1N(C(=O)/C(=C/C2=CC(=C(C=C2)OCC(=O)OC)OC)/S1)C 1 2.083 2 5 0 -15.2933635772112 2718854 CCOC(=O)C1=CSC(=N1)NNC=O 1 -0.114 3 3 0 -5.08725150012015 2718685 CCN1C=C(C2=CC=CC=C21)/C=C(/C(=O)N3CCCC3)\NC(=O)C4=CC=CC=C4F 1 3.715 3 2 -17.067321298541 2718316 CCCCOC1=C(N=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 4.239 4 2 -10.7707923374499 2718238 COC1=CC=CC=C1OCCSC2=NN=NN2C3CCCCC3 1 3.697 4 2 -23.3240063780927 2717688 COC1=CC=C(C=C1)C2=C(S/C(=C\C(=O)OC)/C2=O)N3CCOCC3 1 2.343 1 5 -2.29714709544034 2717277 C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)[N+](=O)[O-] 1 4.738 2 6 0 -8.13588817287602 2716919 CC1=C(C=C(C=C1)OC)NC(=O)NCCC2=CN=CN2 1 1.212 4 2 0 -7.45748578840666 2716735 CC(C)CC(=O)NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N 1 1.69 4 3 0 -15.8293137764679 2716734 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.93 4 6 0 -15.7976340366189 2716728 CCOCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N 1 1.497 3 3 0 -19.475156223694 2716727 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCCCO 1 3.595 2 2 -5.52860627968164 2716725 CC(C)OCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N 1 1.875 3 3 0 -19.225452133153 2716425 COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 2.612 4 3 0 -17.7728595712031 2716315 CC(C)(C)NC(=O)CCN(C1=NS(=O)(=O)C2=CC=CC=C21)N=CC3=CC=CC=C3F 1 2.915 4 3 0 -13.475875734976 2716314 CN(C)C1=CC=C(C=C1)C=NN(CCC#N)C2=NS(=O)(=O)C3=CC=CC=C32 1 2.612 5 2 0 -8.75893424458521 2715940 CN=C1N(C(=O)/C(=C/C2=CC(=C(C=C2)O)Br)/S1)C 1 2.915 2 2 -1.81893770243324 2715914 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C\C3=C(N(C(=C3)C)C4=CC=NC=C4)C)/NC2=O 1 2.081 5 3 0 -9.56087162575138 2715909 CC1=CC(=CC=C1)N2C(=CC(=C2C)/C=C\3/C(=C(NC3=O)C)C(=O)OC)C 1 3.137 2 3 -8.92455428674431 2715851 CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCC3 1 3.644 1 6 0 -19.1881207955851 2715809 CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2)C 1 3.622 1 3 -13.0700609328033 2715808 CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCC3=CC=CC=C32)C 1 4.03 1 3 -12.1451329281717 2715806 CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2)C 1 2.482 1 4 -15.000286214432 2715733 C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)CN4C=NC5=CC=CC=C5C4=O 1 2.516 6 2 0 -14.0956688753425 2715724 CC1=CC(=C(O1)C)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 0.383 3 5 0 -13.5625754056144 2715716 CC1=CC(=C(O1)C)C(=O)NNC(=O)CC2=CC(=C(C(=C2)OC)OC)OC 1 1.251 2 6 0 -14.9744978087239 2715704 CC1=CC(=C(O1)C)C(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 0.622 4 4 0 -11.0577765621706 2715540 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 2.907 3 4 0 -6.396631357968 2715517 C1COCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.361 2 4 -4.43999205505635 2715508 C1COCCN1C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F 1 1.624 2 4 0 -9.23966761149803 2715505 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCOCC3 1 1.905 2 4 0 -8.78559099471322 2715502 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)N4CCCC4 1 2.435 3 4 0 -15.1157430402125 2715372 COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.346 2 6 0 -30.2485157257651 2715348 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=C(C=C3)Br 1 3.595 1 4 -17.5527510434902 2715346 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C(C=CC=C3Cl)F 1 2.943 1 5 -22.0938309572641 2715315 C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=C(N=CC=C2)Cl 1 2.372 2 3 -11.8711309897056 2715226 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC(=CC=C3)C(F)(F)F 1 4 1 3 -9.16740882685928 2715190 CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2 1 2.91 1 4 -11.7102392966055 2714935 COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=CC=N2 1 1.59 2 4 0 -16.4768097572021 2714831 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.953 2 5 0 -15.5502171399574 2714735 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.042 3 4 0 -21.4595937480379 2714733 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3N4CCCC4 1 2.593 4 2 -7.06898375840816 2714713 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 2.998 4 4 0 -7.38093159841754 2714150 C1COC2=C(O1)C=CC(=C2)/C=C(\C#N)/C(=O)NC3=NC=CS3 1 1.704 3 3 0 -15.4284949838238 2713558 COC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=CO2)Cl 1 1.965 2 4 0 -12.726705741212 2713508 COC1=CC=CC(=C1)/C=C/C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F 1 5.323 0 4 -3.50956439804875 2713439 COC1=CC(=CC(=C1OC)OC)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.219 1 4 -13.6646831876928 2713432 CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.759 1 3 -18.7600614166336 2713431 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43 1 3.418 3 2 -19.923321874768 2713421 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F 1 4.581 1 3 -14.8755370250797 2713411 C1=CC=C(C=C1)CC(=O)NCCC2=C(C=C(C=C2)Cl)Cl 1 4.306 1 1 -8.3970275790596 2713401 CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=C(C=C(C=C2)OC)OC)C 1 2.802 2 5 0 -11.820245441353 2713371 COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F)OC 1 2.929 1 5 -12.4778792881185 2713353 CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=CC=CC=C3OC 1 3.074 2 2 -10.5325550569409 2713349 CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=CC=CC=C2OC)C 1 2.826 2 4 -12.65478918973 2713344 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2OC 1 1.722 2 4 0 -15.0285556081631 2713342 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3OC 1 3.298 2 4 -16.4222241200172 2713335 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3OC 1 3.298 2 4 -19.5180124734367 2713328 COC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.183 2 4 -23.4419692805501 2713309 COC1=CC=CC=C1CNC(=O)C2CCCC2 1 2.611 1 2 -8.87861098484809 2713239 COC1=CC=CC=C1CNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.583 3 3 0 -16.8308419105267 2713269 COC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4 1 2.042 2 6 0 -23.6528147435822 2713259 COC1=CC=CC=C1CNC(=O)CCNC(=O)C2=CC=CO2 1 1.308 2 4 0 -18.4175698788208 2713222 COC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)OC(F)F)OC 1 3.394 1 4 -11.6530447994164 2713218 COC1=C(C=C(C=C1)CCNC(=O)/C=C/C2=CC(=CC=C2)OC)OC 1 3.361 1 4 -10.1343429284356 2713216 COC1=C(C=C(C=C1)CCNC(=O)CC2=CC(=CC=C2)C(F)(F)F)OC 1 3.887 1 3 -9.16266193364234 2713016 COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.089 2 4 -18.5915464351475 2713014 C1CN(CCN1C(=O)CSC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 2.008 2 3 -18.4372428517382 2713002 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)OC 1 2.789 2 4 -20.2001363690424 2712998 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br 1 2.898 2 4 -18.8748590845098 2712962 C1=CC(=CC(=C1)Cl)C(=O)NNC(=O)CCC(=O)C2=CC=CS2 1 2.444 2 3 -11.0580769924481 2712842 CCOC1=CC=C(C=C1)OCCC(=O)NNC(=O)C2=C(OC(=C2)C)C 1 1.682 2 5 0 -13.5497556466202 2712753 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)F 1 1.631 2 4 0 -22.9480318977567 2712727 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC=C(C=C3)F 1 3.525 2 3 -19.9571525458278 2712715 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)F 1 2.726 2 3 -19.4779506546703 2712705 C1=CSC(=C1)C(=O)CCC(=O)NCCC2=CC=C(C=C2)F 1 3.057 1 2 -13.6540880561463 2712701 C1CC(=O)N(C1)CCCNC(=O)C2=CC(=CC=C2)C(F)(F)F 1 1.696 2 2 0 -17.6260756911147 2712694 CN1CCC(CC1)NC(=O)CC2=C(C=CC=C2Cl)F 1 2.053 2 1 -6.26534035272244 2712691 CC1=C(OC2=CC=CC=C12)C(=O)NCCCN3CCCC3=O 1 1.835 2 3 0 -12.2720141464358 2712689 COC1=CC2=C(C=C1)C(=C(S2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)Cl 1 3.449 2 4 -8.74287630021076 2712669 C=CCNC(=S)N1CCN(CC1)C2CCCCC2 1 3.626 3 0 -11.7103332272963 2712666 CC1=CC(=C(O1)C)C(=O)NCCC2=CCCCC2 1 2.76 1 2 -12.2519806140256 2712659 C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(C=C2)OCO3 1 0.522 2 4 0 -23.0751447791503 2712632 CC1=CC(=C(C=C1)NC(=O)CCC(=O)C2=CC=CS2)Br 1 3.758 1 2 -10.9580120382584 2712625 C1COCCN1CCCNC(=O)C2=CC=C(S2)Cl 1 1.339 2 2 0 -5.20690097896494 2712590 C1CC(=O)N(C1)CCCNC(=O)CC2=C(C=CC=C2Cl)F 1 1.658 2 2 0 -24.863677179488 2712578 C1CCC2=C(CC1)SC(=C2)C(=O)NCCCN3CCCC3=O 1 2.546 2 2 -24.2451698959905 2712577 C1CCCC(CC1)NC(=O)CC2=C(C=C(C=C2)Cl)Cl 1 4.716 1 1 -5.30339349820313 2712566 C1CSC(=N1)NC(=O)C2=CC=C(S2)Br 1 2.624 2 1 -9.673870831467 2712518 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CO2 1 2.318 4 4 0 -15.6109531676341 2712501 C1=CC=C(C=C1)CC2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.725 3 3 -16.1052196471075 2712498 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NS2)SC 1 2.68 3 2 -13.8139044860164 2712471 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3Cl 1 2.864 2 3 -22.2783846708236 2712468 C1=CC(=C(C(=C1)Cl)CSCC(=O)NCC2=CN=CC=C2)F 1 2.741 2 1 -17.7480681646655 2712328 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.298 4 5 0 -22.7693424834536 2712299 C1=CSC(=C1)C(=O)CCC(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 2.444 2 3 -11.6115975194812 2712261 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=N3 1 2.495 3 4 0 -12.5538404490664 2712240 C1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 3.925 2 3 -20.5555081201122 2712224 COC1=CC2=CC=CC=C2C=C1C(=O)N3CCOCC3 1 1.823 1 3 0 -8.04833998382966 2712199 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)N4CCOCC4 1 1.683 2 5 0 -24.3169994555158 2712193 CCOC(=O)C1=CN=C(NC1=O)C2=CC(=CC=C2)OC 1 1.065 2 4 0 -5.19528979709508 2712145 C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CC=C3F 1 5.044 1 2 -3.53019241109211 2712126 C1=CSC(=C1)C2=CC=C(N2NC(=O)C3=CC=CS3)CCC(=O)O 1 3.67 2 3 -10.9920982772232 2712095 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=CC=C3Br 1 1.975 4 3 0 -8.59346137107493 2712073 CC1=CC=CC=C1CSC2=NC(=O)C=C(N2)C3=CC=CC=C3 1 4.272 2 1 -12.3391480434543 2712054 COC1=CC=C(C=C1)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC 1 2.761 2 4 -12.4037730480823 2712050 C1COCCN1CCNC(=O)C(=O)NCC2=CC=CO2 1 -0.681 3 4 0 -14.3300610534104 2712037 C1=CC=C(C(=C1)C(=O)NNC(=O)CCC(=O)C2=CC=CS2)Cl 1 2.444 2 3 -14.9132350271805 2712032 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2CCCO 1 0.587 5 4 0 -26.6238139524469 2711993 COCCNC(=O)CN(CC1=CC=C(C=C1)Cl)S(=O)(=O)C 1 0.547 2 4 0 -16.6955131559259 2711978 CN1CCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)N(C)C 1 -0.239 4 3 0 -9.61561333651659 2711952 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)F 1 1.631 2 4 0 -22.9965992366633 2711914 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CN=CC=C3 1 2.28 3 4 0 -14.6085633707358 2711910 C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2 1 4.3 3 2 -16.0277815481427 2711883 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=C(C=C3)Br 1 2.198 3 4 0 -17.0191597840758 2711880 CC1=NC=C(N=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Br 1 1.029 4 2 0 -9.25983155355764 2711879 CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3CCCC3 1 3.711 2 2 -8.15316222932037 2711877 C1CCC(C1)CC(=O)NNC(=O)C2=CC=C(C=C2)Br 1 2.871 2 2 -9.81775287529945 2711802 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCCC4 1 4.278 2 2 -5.49203865715613 2711799 COC1=CC2=CC=CC=C2C=C1C(=O)N3CCCCC3 1 3.053 1 2 -6.48004353405407 2711781 COC1=CC=C(C=C1)OCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 3.92 1 5 -11.2878367771793 2711702 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C=C(C=C3)Cl)F 1 2.023 3 3 -4.66983717304353 2711651 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC(=C(C=C3)F)Cl 1 2.023 3 3 -5.04587988291134 2711536 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=C(C=C2)Br)F 1 1.657 3 4 0 -11.1340447303431 2711300 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 3.273 3 4 0 -4.25294012681544 2710942 COC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3CC3 1 1.745 3 3 0 -14.3801988114231 2710901 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)C3=CC=CC=C3 1 2.685 2 3 -6.61141488523634 2710892 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)C3=CC=C(C=C3)F 1 2.891 2 3 -5.10389029226175 2710891 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.907 3 4 0 -4.56278805657866 2710890 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)C3=CC=C(C=C3)Cl 1 3.35 2 3 -3.99376862714018 2710889 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC3=C(C=C(C=C3)Cl)Cl 1 4.342 2 2 0.738093961244385 2710887 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Br 1 3.761 2 2 -0.813876406992265 2710885 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)C3=CC=C(S3)Cl 1 2.893 2 3 -3.26430379024265 2710792 CNC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=CC=C2)F 1 2.496 2 2 -7.60700481367518 2710760 CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=NC=C3 1 2.829 3 3 -14.7636958485852 2710695 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NC=C3)C)C 1 2.622 3 3 -14.7650361003442 2710694 C1CN(CCN1C(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 0.883 3 3 0 -17.915756429494 2710693 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NC=C3 1 1.01 3 4 0 -19.8068228158115 2710681 COC1=CC=CC=C1OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.311 2 5 0 -21.3018046327254 2710663 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)C 1 3.147 4 3 0 -18.9619858767987 2710661 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 1.848 4 4 0 -20.622503407137 2710612 COC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(CCC3)C=C2 1 3.49 1 3 -8.53808426063282 2710540 COC1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3 1 2.918 4 3 0 -11.0653363930615 2710091 COC1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 3.416 2 4 -21.3897748507118 2709925 CC1=CC=CC=C1OCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C 1 3.23 2 3 -13.0743642984032 2709783 COC1=CC=CC(=C1)NC(=O)C2CCC2 1 2.148 1 2 0.77911343403574 2709719 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3 1 3.636 2 3 -14.109515889418 2709621 CC1=CC=C(C=C1)OCCCC(=O)NC2=CC3=C(C=C2)OCCO3 1 3.291 1 4 -11.0146192830004 2709620 COC1=CC=C(C=C1)OCCCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.788 1 5 -11.5728620633441 2709349 COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)OC 1 2.616 2 5 0 -23.4342745701767 2709110 C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC3=CC=CC=C3Cl 1 3.159 1 3 -1.94102442325665 2709072 COC1=C(C=C(C=C1)NC(=O)COC2=CC=CC(=C2)N3C=NN=N3)Cl 1 1.984 5 3 0 -17.5138935601427 2709066 COC1=CC=CC=C1CNC(=O)COC2=CC=CC(=C2)N3C=NN=N3 1 1.327 5 3 0 -23.1081821481501 2709045 CCOC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N3C=NN=N3 1 1.669 5 3 0 -17.5502829985286 2708937 COC1=CC=CC=C1CNC(=O)COC2=CC=CC=C2C(=O)C3=CN(N=C3)C4=CC=CC=C4 1 4.071 3 4 0 -9.66463144220807 2708830 COC1=CC=C(C=C1)NC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.137 3 4 0 -7.3573089835058 2708827 CC(C)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.347 3 3 -6.66088307771002 2708742 CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=CC(=N2)N)N 1 1.539 5 3 0 -17.5758177021694 2708740 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC(=CC(=N3)N)N 1 0.428 7 2 0 -21.3067017159363 2708725 C1CN(CCN1C(=O)CSC2=NC(=CC(=N2)N)N)C(=O)C3=CC=CO3 1 0.241 6 3 0 -11.9945109233558 2708665 C1CCC(=CC1)CCNC(=O)CSC2=NC(=CC(=N2)N)N 1 2.086 5 1 -16.8593488238444 2708619 CC1=CC(=C(C=C1)SCC(=O)NNC(=O)C2=CC=CC=C2)C 1 3.237 2 2 -10.1614855419515 2708508 CC1=C(C=C(C=C1)SCC(=O)NNC(=O)C2=CC=CC=C2)C 1 3.237 2 2 -8.77391125558071 2707966 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C=CS4 1 2.604 3 3 -17.6173679350384 2707883 CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.312 4 2 -15.8420535341622 2707767 CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)N3CCOCC3)Cl)Cl 1 2.564 2 3 -6.8701129833244 2707712 C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.713 2 3 0 -11.3023902733915 2707703 C1C(=O)NC2=CC=CC=C2N1C(=O)COC3=C(C=C(C=C3)Cl)Cl 1 2.791 2 3 -10.1496849089096 2707610 C1CCC(C1)CC(=O)NC2=CC=CC(=C2)C#N 1 2.744 2 1 -8.23398923600277 2707579 COC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.116 1 2 -0.3400010161459 2707548 CC1=CC(=C(C=C1)NC(=O)CC2CCCC2)Br 1 4.1 1 1 -7.51659576657783 2707521 COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=CC=CC=C2N3CCCCC3 1 3.679 2 4 -9.5650460564074 2707505 C1CN(CCN1C2=NC=CC=N2)C(=O)COC3=CC=CC=C3Cl 1 1.495 4 2 0 -3.19484060833504 2707504 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 0.81 5 3 0 -11.1029502590916 2707498 C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=CC(=CC=C3)F 1 1.669 4 1 0 1.16540847562878 2707496 COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-] 1 0.745 5 5 0 -6.77556385761106 2707495 COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.437 4 4 0 -7.68208063888955 2707490 C1CN(CCN1C2=NC=CC=N2)C(=O)COC3=CC=CC=C3 1 0.831 4 2 0 -3.10293762611571 2707487 C1CN(CCN1C2=NC=CC=N2)C(=O)CC3=CC=CC=C3 1 1.03 4 1 0 -4.9549880135829 2707480 C1CN(CCN1C2=NC=CC=N2)C(=O)COC3=C(C=C(C=C3)Br)F 1 1.784 4 2 0 -1.08517470565226 2707478 CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.537 4 1 0 -7.37264964167499 2707476 C1CN(CCN1C2=NC=CC=N2)C(=O)COC3=C(C=C(C=C3)F)Br 1 1.784 4 2 0 -1.71219841354393 2707470 C1CN(CCN1C2=NC=CC=N2)C(=O)CC3=CC=CC=C3Cl 1 1.694 4 1 0 -4.02962324848999 2707343 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C(=CC=C3)Cl)Cl 1 4.672 2 3 -5.75290476796173 2707305 CCC1=CC=C(C=C1)C(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 4.892 1 1 -5.98584812825576 2707304 C1=CC(=CC(=C1)C(F)(F)F)CC(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 4.927 1 1 -4.02407451134516 2707269 C1=CC=NC(=C1)C(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 3.228 2 1 -8.23386393846498 2707244 C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=C(C=C(C=C4)Cl)Cl)OC1 1 3.387 2 5 0 -20.0815411644406 2707187 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC3=CC=CC=C3Cl 1 2.207 3 3 -16.4079771675071 2707156 C1C(=O)NC2=CC=CC=C2N1C(=O)COC3=CC=CC=C3Cl 1 2.126 2 3 -12.3065809860568 2707016 C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC(=O)NC4=CC=C(C=C4)C(=O)N 1 1.619 4 5 0 -15.8269924194137 2706818 C1CCC(=CC1)CCNC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 2.144 3 5 0 -16.4606446812952 2706737 C1CN(CCN1C(=O)COC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.206 3 4 0 -19.9421237276268 2706612 CC1=NC=C(N=C1)C(=O)OCC(=O)N=C2N(C=CS2)CC3=CC=CC=C3Cl 1 2.076 4 3 0 -15.9866151546037 2706587 C1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NN=C(S2)N 1 0.534 5 2 0 -16.5226941182353 2706530 C1C(=O)NC2=CC=CC=C2N1C(=O)COC3=CC(=C(C=C3)Cl)Cl 1 2.791 2 3 -10.8850898441262 2706476 C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=NC=CN=C3N)C#N 1 1.29 5 3 0 -26.2204470321781 2706473 C=CCNC1=NC(=CS1)C(=O)OCC(=O)C2=CC=CC=C2 1 2.32 2 3 -14.5956120094799 2706471 C=CCNC1=NC(=CS1)C(=O)OCC(=O)C2=CC=C(C=C2)F 1 2.525 2 3 -13.0880874165053 2706470 C=CCNC1=NC(=CS1)C(=O)OCC(=O)C2=CC=C(C=C2)Cl 1 2.984 2 3 -11.9779657513838 2706468 COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CSC(=N2)NCC=C)OC 1 2.287 2 5 0 -12.4791318025053 2706274 CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C3=CC=CC=C3 1 3.931 1 4 -13.81931179964 2706273 CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(C=C3)Br 1 4.68 1 4 -12.365293824597 2706272 CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=CC=C2C(=O)N(C)C3=CC=CC=C3 1 3.516 2 6 0 -17.3790457407828 2706271 CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(C=C3)F 1 4.137 1 4 -12.0187557446172 2706269 CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C(=O)OC 1 4.114 1 5 -8.95240579460473 2706266 CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C3=C(C=C(C=C3)OC)OC 1 3.899 1 6 0 -11.1991985619261 2705794 C1CCC(CC1)NC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.419 2 3 -14.1151656319197 2705793 C1CCCC(CC1)NC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.875 2 3 -14.1151656319197 2705791 C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.465 2 3 -15.2713818947312 2705776 C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.322 3 3 -15.2281483308868 2705774 COC1=CC=CC=C1CNC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.128 2 4 -17.5043015933923 2705773 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 3.343 2 3 -10.9748182020717 2705147 C1=CC(=CC2=C1C=CC(=O)O2)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F 1 2.619 2 6 0 -10.636677554491 2705135 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4 1 1.612 3 5 0 -19.3344645467554 2704849 COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 3.296 2 4 -20.7699374359342 2704824 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3 1 3.315 2 3 -17.9302218030421 2704820 COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 2.847 2 4 -19.6365444812804 2704812 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)Cl 1 3.32 2 3 -19.4472150639213 2704683 COC1=CC=CC(=C1)/C=C/C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.841 1 4 -7.11921616156835 2704658 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)NCC4=CC=CO4 1 2.555 2 5 0 -25.4717786564586 2704656 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CO3 1 2.497 2 4 -15.9774679838621 2704653 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)Cl 1 2.045 2 4 -22.0132086887516 2704631 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCCO4 1 1.756 3 4 0 -10.8015901936503 2704586 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.738 3 4 0 -9.35628904008183 2704533 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NCC2=CC=CS2 1 1.825 2 4 0 -19.8255171771915 2704518 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 2.991 2 4 -9.88081028699642 2704448 CC1=CC(=C(C=C1C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C 1 3.755 2 4 -8.12241204839673 2701874 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCCCC3 1 1.612 3 3 0 -9.24203645999783 2701873 CC1CCN(CC1)C(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 1.864 3 3 0 -12.2315143902055 2701855 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCCC3=CC=CC=C3 1 2.394 3 3 -12.0012556155504 2701846 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C=C(C=C3)Br)Br 1 3.562 3 3 -7.05613022137436 2701845 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 3.394 3 3 -5.46629172808663 2701824 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC(=C3)C#N 1 1.945 4 3 0 -9.19927451898598 2701812 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O)Cl 1 3.216 3 3 -6.86695543462102 2701804 CC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 3.216 3 3 -6.87410908565474 2701781 CCOC1=C(C=C(C=C1)C(=O)C)CN2C(=O)C3(CCCCCC3)NC2=O 1 3.085 2 4 -7.9336085179381 2701775 CC(C)N(CC1=CC=CC=C1)C(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 3.005 3 3 -10.5091158451309 2701765 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC3=CC=CC=C3C#N 1 2.892 3 2 -3.41406752866035 2701762 CC1=C(C2=CC=CC=C2N1)C(=O)CN3C(=O)C4(CCCCCC4)NC3=O 1 3.124 3 3 -2.97507662548412 2701757 CC1=CC(=C(N1CCOC)C)C(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 2.145 3 4 0 -14.9886042472488 2701748 CC(C)(C)C1=CC=CC=C1NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 3.466 3 3 -8.49754643490056 2701735 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC(=CC=C3)F 1 2.271 3 3 -5.50780562289929 2701728 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCC(CC3)C 1 1.66 3 3 0 -11.1340591281151 2701701 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 0.767 4 5 0 -11.025234994585 2701553 CCSC1=NN=C(S1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F 1 1.695 4 3 0 -19.1491476338524 2701547 CCSC1=NN=C(S1)NC(=O)CSC2=C(C=CC=C2Cl)Cl 1 4.243 3 1 -14.8141513549394 2701524 CCSC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C 1 2.602 5 2 0 -16.6747842373281 2701522 CCSC1=NN=C(S1)NC(=O)CC2=CC=CC=C2OC 1 2.539 3 2 -17.8550479795517 2701509 CCSC1=NN=C(S1)NC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.498 5 2 0 -20.2013301738628 2701499 CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)OCC3=C(ON=C3C)C 1 2.97 4 3 0 -23.8251553564653 2701314 CC1=C(SC(=N1)NC2=CC=CC=C2OC)C(=O)NC3=CC=CC=C3 1 3.082 3 2 -5.8741845498006 2701311 CN=C1N(C(=CS1)C2=CNC3=CC=CC=C32)C 1 2.304 3 0 -2.00952365485898 2701305 CCCCCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)C 1 3.649 2 1 -5.69538540995594 2701289 CSC1=CC=CC=C1NC(=O)CN2C=CSC2=N 1 1.235 3 1 0 -17.8219329255913 2701271 C1CCC(C1)NC(=O)NC(=O)CN2C=CSC2=N 1 0.298 4 2 0 -15.6210687781948 2701065 C1CCC(CC1)NC(=O)CN2C(=O)C(=C(C=N2)Cl)Cl 1 1.556 3 2 0 -2.81842511949152 2700851 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=C(N=CC=C2)Cl)C 1 2.265 3 5 0 -13.9685124252765 2700850 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)C2=CC=CC=C2)C 1 3.162 1 5 -14.7657227590637 2700849 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C 1 1.952 2 7 0 -15.9999706873944 2700832 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C 1 3.384 2 6 0 -9.86824165424508 2700023 CN(CC1=CC(=C(C=C1)Cl)Cl)CC(=O)NC2=CC=C(C=C2)C#N 1 3.747 3 1 -4.11218185365007 2700015 CN(CC1=CC(=C(C=C1)Cl)Cl)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC 1 3.579 2 5 0 -10.0321692518974 2700013 CN(CC1=CC(=C(C=C1)Cl)Cl)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.446 3 3 -15.4708905086896 2699991 CN(CC1=CC(=C(C=C1)Cl)Cl)CC(=O)NC(=O)NCC2=CC=CC=C2 1 3.655 3 2 -3.58121883057032 2699975 CC1=C(C(=CC=C1)C)NC(=O)CN(C)CC(=O)NC2=CC=CC=C2Br 1 3.313 3 2 -9.04069325798534 2699969 CC1=CC(=C(C=C1)NC(=O)CN(C)CC(=O)NC2=C(C=CC=C2C)C)Br 1 3.799 3 2 -8.83442435391902 2699949 CC1=C(C(=CC=C1)C)NC(=O)CN(C)CC(=O)NC2=C(C=CC(=C2)Cl)C#N 1 3.108 4 2 -7.94317101727295 2699929 CC1=C(C(=CC=C1)C)NC(=O)CN(C)CC(=O)NC2=CC(=C(C=C2)C#N)Cl 1 3.108 4 2 -8.81813415501754 2699911 CN(CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=CC=C2Br 1 3.83 2 1 -2.84207510450765 2699742 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CN=C(C=C2)Cl 1 2.421 2 4 -14.0136724021447 2699719 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=C(N=CC=C2)Cl 1 2.421 2 4 -10.7403057097838 2699602 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NCCC2=CCCCC2 1 2.829 2 4 -19.9485980439005 2699535 CCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CS3 1 2.26 4 1 -17.8843398734705 2699491 CC1=CC(=C(C=C1)NC(=O)CN(C)CC2=CC=C(C=C2)SC)Br 1 4.316 2 1 -2.54490383263231 2699473 CN(CC1=CC=C(C=C1)SC)CC(=O)NC2=CC(=CC=C2)Br 1 3.83 2 1 9.6882466884316e-002 2699453 CC(C)(C)NC(=O)NC(=O)CN(C)CC1=CC=C(C=C1)SC 1 2.216 3 2 -6.29129727121512 2699439 CN(CC1=C(C=CC=C1Cl)F)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.443 3 3 -15.265290644618 2699393 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN(C)CC3=C(C=CC=C3Cl)F 1 2.397 5 3 0 -9.83010301044762 2699365 CN(CC1=C(C=C(C=C1)Cl)Cl)CC(=O)NC2=CC=C(C=C2)C#N 1 3.747 3 1 -2.85256405955867 2699353 CN(CC1=C(C=C(C=C1)Cl)Cl)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.446 3 3 -14.2112727145982 2699303 CN(CC1=C(C(=CC=C1)OC)OC)CC(=O)NC2=C(C3=C(S2)CCC3)C#N 1 3.099 3 3 -18.5709713443922 2699299 CN(CC1=C(C(=CC=C1)OC)OC)CC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 3.994 2 5 0 -10.5751303072756 2699207 CN(CC(=O)NC1=CC=C(C=C1)Cl)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.873 3 2 -3.60989687707682 2699191 CN(CC(=O)NC1=CC=C(C=C1)Cl)CC(=O)NC2=C(C=CC(=C2)Cl)C#N 1 2.8 4 2 -5.89095950854914 2699189 CN(CC(=O)NC1=CC=C(C=C1)Cl)CC(=O)NC2=CC(=CC=C2)Br 1 3.005 3 2 -1.37554292524576 2699139 CN(CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=C(C=CC=C2Cl)Cl 1 4.6 2 2 -3.22386868578924 2699127 CN(CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 4.6 2 2 -3.01782708567166 2699073 CN(CC1=C(C=C(C=C1)OC)OC)CC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 3.994 2 5 0 -10.1328558179878 2699121 CN(CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 4.6 2 2 -2.1159656792122 2699111 CN(CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC=CC=C2Cl 1 3.936 2 2 -3.88014402810521 2699053 CC1CCN(CC1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 1.475 3 4 0 -15.9167060743512 2699051 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=C(C=C3)Br 1 3.045 2 4 -11.9101494812297 2699047 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCCC3=CC=CC=C3 1 2.005 3 4 0 -15.8933133964965 2698946 CN(CC1=C(C=C(C=C1)OC)OC)CC(=O)NC(=O)NCC2=CC=CC=C2 1 2.294 3 4 0 -5.95454064667519 2698926 CN(CC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=C(C3=C(S2)CCC3)C#N 1 3.099 3 3 -21.9774877902191 2698922 CN(CC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 3.994 2 5 0 -14.0240904307994 2698886 CN(CC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.357 3 4 0 -8.97454883770738 2698868 CN(CC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC=C(C=C2)SC(F)F 1 3.87 2 3 -8.75554357134485 2698858 CN(CC1=CC(=C(C=C1)OC)OC)CC(=O)NC(=O)NCC2=CC=CC=C2 1 2.294 3 4 0 -9.98094781298329 2698824 CN(CC1=CC=C(C=C1)Cl)CC(=O)NC2=CC=C(C=C2)C#N 1 3.083 3 1 -4.3706914711547 2698808 CN(CC1=CC=C(C=C1)Cl)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.782 3 3 -15.7294001261942 2698772 CN(CC1=CC=C(C=C1)Cl)CC(=O)NC(=O)NCC2=CC=CC=C2 1 2.991 3 2 -3.83972844807495 2698728 CN(CC1=CC=C(C=C1)Br)CC(=O)NC2=CC=CC=C2SC 1 3.83 2 1 -8.83439894817622 2698642 CN(CC1=C(C(=CC=C1)Cl)Cl)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC 1 3.579 2 5 0 -10.5161740635953 2698640 CN(CC1=C(C(=CC=C1)Cl)Cl)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.446 3 3 -16.0947332246091 2698610 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN(C)CC3=C(C(=CC=C3)Cl)Cl 1 2.856 5 3 0 -5.57254596681698 2698602 CN(CC1=C(C(=CC=C1)Cl)Cl)CC(=O)NC(=O)NCC2=CC=CC=C2 1 3.655 3 2 -4.16728321951805 2698584 CCCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)CC(=O)NC2=CC=CC=C2Br 1 3.83 3 2 -7.19048942282051 2698582 CCCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.202 4 3 0 -9.96631100459669 2698576 CCCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)CC(=O)NC2=C(C=CC=C2Cl)Cl 1 4.41 3 2 -6.11945365410133 2698568 CCCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)CC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 4.41 3 2 -5.77357414976211 2698558 CCCN(CC(=O)NC1=CC(=CC=C1)Br)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 3.83 3 2 -5.31767672935811 2698464 CN(CC(=O)NC1=CC=CC=C1Cl)CC(=O)NC(=O)NCC2=CC=CO2 1 1.225 4 4 0 -10.504126487277 2698454 CC(C)(C)NC(=O)NC(=O)CN(C)CC(=O)NC1=CC=CC=C1Cl 1 1.391 4 3 0 -12.0379201175089 2698406 COC1=CC=CC(=C1)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)SC(F)F 1 3.933 3 2 -1.22810077351337 2698400 COC1=CC=CC(=C1)N2CCN(CC2)CC(=O)NC(=O)NCC3=CC=CO3 1 1.538 4 4 0 -4.65298836156314 2698304 CCOC1=C(C=C(C=C1)CN(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)OC 1 2.705 3 4 0 -10.4781579349359 2698280 CCOC1=C(C=C(C=C1)CN(C)CC(=O)NNC(=O)C2=CC=C(C=C2)Cl)OC 1 2.777 3 4 0 -9.8387946949266 2698252 CN(CC1=CC(=CC=C1)OC)CC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 4.01 2 4 -10.1941665748283 2698218 CN(CC1=CC(=CC=C1)OC)CC(=O)NCC2=CC=CC=C2Cl 1 3.194 2 2 -8.87265771334786 2698196 CN(CC1=CC(=CC=C1)OC)CC(=O)NC(=O)NCC2=CC=CO2 1 1.492 3 4 0 -6.9886879666074 2698192 CN(CC1=CC(=CC=C1)OC)CC(=O)NC(=O)NCC2=CC=CC=C2 1 2.31 3 3 -5.78518875034099 2698184 CN(CC1=CC(=CC=C1)OC)CC(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 2.444 3 3 -4.04203230853103 2698182 CN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=C(C4=C(S3)CCCCC4)C#N 1 2.976 5 2 0 -25.4031604786529 2698138 C1CN(CCN1CC(=O)NC(=O)NCC2=CC=CO2)S(=O)(=O)/C=C/C3=CC=CC=C3 1 0.451 4 5 0 -12.1559676189407 2698178 CN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC 1 2.958 4 4 0 -17.3496676325518 2698174 CN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4 1 3.59 4 2 -11.7695734705509 2698170 CC1=CC(=C(C=C1)NC(=O)CN(C)CC2=NC(=O)C3=CC=CC=C3N2)Br 1 2.706 4 2 -11.8316355008046 2698142 CN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC(=O)NCC3=CC=CO3 1 0.44 5 4 0 -14.0442353091555 2698056 CC1=CC(=C(C=C1)C)NC(=O)CN(C)CC(=O)NC2=CC=CC=C2SC 1 3.107 3 2 -11.5888146046295 2697826 CC1CCN(CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 4.243 2 1 -8.15601264786801 2697802 CC1CCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 1.823 3 2 0 -15.3619785325369 2697798 CC1CCN(CC1)CC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC(C)C)N 1 1.563 5 3 0 -13.1007782178632 2697796 CC1CCN(CC1)CC(=O)NC(=O)NCC2=CC=CC=C2 1 1.912 3 2 0 -10.0616113908174 2697728 C1CN(CCN1CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=CC=C3)Cl 1 2.283 4 3 0 -6.2439427129392 2697692 C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CO4 1 2.737 4 3 0 -21.7488739395122 2697618 CC(C)(C)NC(=O)NC(=O)CN1CCC(CC1)CC2=CC=CC=C2 1 2.748 3 2 -6.34027216521767 2697612 C1CN(CCN1CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3F 1 1.824 4 3 0 -10.0733265159603 2697596 C1CN(CCN1CC(=O)NC(=O)NCC2=CC=CO2)C3=CC=CC=C3F 1 1.76 4 3 0 -4.80956053288156 2697568 CC(=O)N1CCN(CC1)CC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl 1 2.166 3 2 -4.98668503440714 2697552 CC(=O)N1CCN(CC1)CC(=O)NC2=CC=C(C=C2)SC(F)F 1 1.537 3 2 0 -8.3152086734928 2697528 C1COCCN1CC(=O)NCC2=CC=CC=C2Cl 1 1.315 2 2 0 -12.8372572258114 2697490 CN(CC1=CC(=O)OC2=C1C=CC(=C2)OC)C3=CC=CC=C3 1 3.589 1 3 -2.82931478198522 2697478 C1CN(CCN1CC(=O)NC(=O)NCC2=CC=CO2)C3=CC=CC=C3 1 1.554 4 3 0 -5.64407507453786 2697446 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.439 3 1 2.08814891465581 2697426 C1CCN(CC1)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 0.907 3 3 0 -14.15385410639 2697400 C1CCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 1.571 3 2 0 -12.6845034603133 2697388 C1CCN(CC1)CC(=O)NC(=O)NCC2=CC=CC=C2 1 1.66 3 2 0 -7.45402212702356 2697382 CC(C)NC(=O)/C(=C/C1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)OC)/C#N 1 3.493 2 4 -19.3563940939995 2697370 CC1=CC(=C(C(=C1)C)NC(=O)/C(=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC)/C#N)C 1 5.802 2 4 -15.5035190124451 2697354 CCOC1=C(C=CC(=C1)/C=C\2/COC3=CC=CC=C3C2=O)OCC(=O)N(C)C 1 2.98 1 5 -7.80218401913102 2697353 CCOC1=C(C=CC(=C1)/C=C/2\COC3=CC=CC=C3C2=O)OCC(=O)N(C)C 1 2.98 1 5 -7.80218401913102 2697316 CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC)/C#N 1 4.83 2 4 -15.033925800438 2697314 CC1=CC=CC=C1NC(=O)/C(=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC)/C#N 1 4.83 2 4 -17.5403754985895 2696970 CCOC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2F 1 2.727 1 4 -12.2533920220797 2697029 COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl 1 2.543 2 5 0 -13.1644893049081 2696954 C1=CC=C(C(=C1)F)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N 1 1.525 2 3 0 -7.93267200681548 2696950 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C 1 3.104 2 4 -8.19803183720262 2696932 COC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.543 2 5 0 -12.5607624333228 2696974 CCOC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.099 2 6 0 -21.4368288892893 2696880 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNS(=O)(=O)C3=CC(=C(C=C3)C)C)C 1 2.878 4 3 0 -9.29656887671384 2696879 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNS(=O)(=O)C3=CC=CC=C3F)C 1 2.111 4 3 0 -10.3950412106861 2696827 CN(C1=CC=CC=C1)S(=O)(=O)C2=C(C(=CC=C2)Cl)Cl 1 3.852 1 2 -4.71560130503271 2696908 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.879 2 5 0 -12.7224270066681 2696844 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCC3)C=C2)C 1 4.347 1 2 -4.69798743534035 2696648 CC1=CC=C(O1)C=NNC(=O)C2=CC3=C(S2)CCCC3 1 3.56 2 2 -7.69887477925047 2696469 C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)C3=CC(=CC=C3)O 1 4.001 2 3 -1.13177250015311 2695586 CC1=C(C=CC(=C1)NC(=O)CON=CC2=CC3=C(C=C2)OCO3)Br 1 3.334 2 4 -3.66513226597143 2695585 C1OC2=C(O1)C=C(C=C2)C=NOCC(=O)NC3=CC(=CC=C3)Br 1 2.848 2 4 -2.35453367213082 2695584 CC1=CC(=CC=C1)NC(=O)CON=CC2=CC3=C(C=C2)OCO3 1 2.586 2 4 -1.92560465728702 2695565 CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC4=CC=CC=C43 1 3.702 1 4 -14.9573393150536 2695554 COC(=O)C1=CC=C(O1)CN2C(=O)C3=CC=CC=C3N=N2 1 2.744 3 4 0 -20.0665259790406 2695553 CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CN4C(=O)C5=CC=CC=C5N=N4 1 3.348 6 3 0 -27.9950552501995 2695552 C1CC2=C(C1)C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3 1 3.525 4 2 -24.6886133949642 2695547 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CN3C(=O)C4=CC=CC=C4N=N3 1 4.238 4 3 0 -20.53315999919 2695487 CCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2Cl)CC(=O)NC3=NOC(=C3)C 1 3.302 3 5 0 -23.0298306329981 2695467 COC1=C(C=C(C=C1)NC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2)OC 1 0.525 4 4 0 -4.60800301710758 2695445 CC1=CC(=NO1)NC(=O)CON=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC 1 3.021 3 5 0 -16.1171025937786 2695444 COC1=C(C=CC(=C1)C=NOCC(=O)NC2CCCCC2)OCC3=CC=CC=C3 1 4.164 2 4 -9.80511770790306 2695338 CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)NC2=CC3=C(CCC3)C=C2 1 2.386 2 4 -14.0708980152384 2695332 CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)NCC2=CC(=CC=C2)Cl 1 2.001 2 4 -12.8131728159187 2695328 CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)NC2CCCCC2 1 1.611 2 4 0 -13.3520507398186 2695306 CCOC(=O)/C=C\1/N(C(=O)CS1)CC2=CC=C(C=C2)Br 1 3.025 1 3 -4.87902584499695 2695295 CC1=CC(=C(C=C1)C)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F 1 2.761 2 3 -10.3824810828821 2694604 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3 1 2.669 2 4 -21.4585431718672 2694596 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.142 2 3 -21.2692137545082 2694591 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 2.118 2 4 -22.1817843318837 2693273 CC1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.731 2 3 -7.58346154001059 2693272 CCCNC(=O)CN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 1.534 2 3 0 -9.3782654300268 2693114 CC1=CC=C(S1)C(=O)OCC(=O)NCC2=CC=CS2 1 2.167 1 3 -15.6523263675872 2693083 C1=CC=NC(=C1)C(=O)OCC(=O)NCC2=CC=CS2 1 1.346 2 3 0 -16.7978617373166 2692556 CC(C)(C)OC(=O)NN=CC1=CC(=C(C=C1)OC(=O)C2=CC=CO2)OC 1 3.404 2 6 0 -13.3349569477652 2692259 C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)C3=CC=C(C=C3)N 1 3.497 3 2 -1.45128146653162 2691866 CN(CC(=O)NCC1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)F 1 1.779 2 4 0 -14.9496690985114 2691830 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(O2)C(=O)OC 1 2.345 1 5 -6.8111936708153 2691697 CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3OC(F)F 1 4.59 0 5 -5.22443352957558 2691233 C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NCC3=CC=CS3)C4=CC=CC=C4 1 2.694 3 3 -14.6773120722655 2691221 CC(=O)C1=CC(=C(C=C1)OC)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 3.618 2 4 -7.35002369928232 2690922 C1OC2=C(O1)C=C(C=C2)NC(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-] 1 2.317 2 6 0 -9.52480478581571 2690708 CC1=C(C(=NN1CC2=CC=CC=C2)C)C=NNC(=O)C3=CC=NC=C3 1 2.194 5 1 -9.57179518393797 2690685 COC1=CC=CC(=C1)N2CCN(CC2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3 1 3.753 4 2 2.97077215370852 2690573 C1CN(CCN1CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)S(=O)(=O)/C=C/C4=CC=CC=C4 1 2.026 4 3 0 -3.8323675778333 2690475 C1CN(CCN1CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.748 4 3 0 -14.472384540783 2690421 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3 1 3.075 4 3 0 -26.7878808390221 2690401 COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)C/C=C/C4=CC=CC=C4)OC 1 2.811 4 3 0 0.130189075988638 2690397 C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl 1 3.508 4 1 5.09005439861388 2690219 C1COCCN1CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl 1 1.187 3 2 0 -2.96509429311598 2690125 CN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=CC=C3Br 1 2.22 4 2 -12.2972197696924 2690047 CN(CC1=CC=C(C=C1)SC)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC 1 2.927 3 3 -1.22632632996411 2690043 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC=C(C=C3)SC)C 1 5.031 1 2 6.45092449284344 2689734 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)C3=CNC4=CC=CC=C43 1 2.245 2 6 0 -20.3022495009644 2689731 CC1=CC=CC(=C1O)C(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C 1 3.624 1 4 -2.48367525142674 2689724 CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32)S(=O)(=O)N4CCOCC4 1 2.525 2 6 0 -21.4063030566781 2689697 COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32)OC 1 3.201 1 5 -10.6298490288064 2689689 CCOC1=C(C=CC=N1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 2.955 2 4 -9.72154581616996 2689665 COC1=CC=CC(=C1OC)C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 3.201 1 5 -7.64881261343286 2689569 C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.129 2 5 0 -9.25758103079449 2689430 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC(=O)C2=CN=C(C=N2)C 1 1.704 3 7 0 -25.5908148028635 2689358 CN(CC1=C(C=C(C=C1)OC)OC)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC 1 2.353 3 5 0 -3.46465918058485 2689314 CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=CC(=C(C=C3)OC)OC)C(C)C 1 5.164 1 4 -3.83862484007792 2689292 CN(CC1=CC(=C(C=C1)OC)OC)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2 1 3.691 3 3 -3.39324392144115 2689282 CN(CC1=CC=C(C=C1)Cl)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC 1 3.05 3 3 -1.6094445798471 2688875 CCCCNC(=O)/C(=C/C1=CC2=C(C=C1)OCCO2)/C#N 1 2.459 2 3 -18.1007196392906 2688863 CC(C)NC(=O)/C(=C/C1=CC(=C(C(=C1)Cl)O)OC)/C#N 1 2.477 2 3 -13.7195789772974 2688837 CC(C)NC(=O)/C(=C/C1=CC2=C(C=C1)OCCO2)/C#N 1 1.857 2 3 0 -18.5904540993688 2688782 CC1=CC(=C(C=C1)NC(=O)/C(=C/C2=CC=CS2)/C#N)C 1 3.847 2 1 -15.9307681242329 2688730 CCOC1=C(C=C(C=C1Cl)/C=C(/C#N)\C(=O)NCC=C)OC 1 2.942 2 3 -19.5433918111638 2688728 CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)NCC=C)Cl)O 1 2.716 2 3 -14.3729446683209 2688721 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC=C)OC 1 3.566 2 5 0 -25.8426992512248 2688662 C1=CC=C2C(=C1)C=CC=C2NC(=O)/C(=C/C3=CN=CC=C3)/C#N 1 2.679 3 1 -12.8375517683478 2688600 C1CCC(CC1)NC(=O)/C(=C/C2=CC3=C(C=C2)OCCO3)/C#N 1 2.989 2 3 -15.1966573058664 2688597 C1CCC(CC1)NC(=O)/C(=C/C2=CN=CC=C2)/C#N 1 2.052 3 1 -12.9191373616291 2688390 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N)OC 1 2.743 2 5 0 -17.6106376002367 2688219 C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)C4=CC=CC=C4 1 3.059 2 3 8.01480607837106 2688116 CC1=CC(=C(C=C1)NC(=O)CCC(=O)C2=CC=CS2)O 1 2.767 1 3 -7.16751152973739 2688069 CC1=CC(=C(O1)C)C(=O)NNC(=O)CCC2CCCCC2 1 2.43 2 3 -15.3107632694475 2688066 CC1=CC(=C(O1)C)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 1.737 3 6 0 -12.0773065881112 2688010 C1CCCC(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 3.029 2 4 -12.5393452221308 2687905 CCOC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 1.815 3 5 0 -7.40237424320876 2687897 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.323 3 5 0 -19.1242194895443 2687842 C1=CC=C(C=C1)C2=C(SC(=N2)NC3=CC=CC=C3)CC(=O)NCC4=CC=CC=N4 1 3.869 4 1 -7.14758013092041 2687812 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.777 2 4 -10.1696793941879 2687803 COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCCC2 1 0.393 2 4 0 -14.0055889000673 2687328 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3=NC=CN=C3N 1 1.3 4 3 0 -8.54341947416629 2686956 CN1C(=NN=C1SCC(=O)NC2=C(N=CC=C2)Cl)C3=CC=C(C=C3)OC 1 2.751 5 2 0 -11.4625442853401 2686703 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2CCOC)C3=CC=CC=C3 1 2.052 5 3 0 -25.9481324770557 2686508 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C 1 3.402 4 3 0 -25.0985570165118 2685745 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=NC=CN=C2N 1 0.617 4 4 0 -14.9544742298939 2685678 CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CSC(=N2)NCC=C 1 2.242 3 3 -10.6380993842633 2685618 C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC=C3 1 2.869 3 3 -17.610330482354 2685549 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl 1 2.691 3 3 -18.3337452649051 2685518 CC(=O)NC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 2.648 4 2 1.31402113253671 2685495 COC1=C(C=C(C=C1)Cl)NC(=O)CNC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.264 2 2 -7.20264753282654 2685298 C1CN(CCN1CC(=O)NNC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3O 1 2.265 4 3 0 -1.69013913485311 2685243 C1CN(CCN1CC(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3F 1 2.578 4 2 -3.54190753360624 2685109 C1CN(CCN1CC(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3 1 2.372 4 2 -4.50104054029838 2684867 CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=CC=N2 1 2.141 2 3 -7.90280696299424 2684835 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)COC(=O)C3=NC=CN=C3N 1 1.159 4 5 0 -22.4174854833851 2684701 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=NC=C4 1 2.549 3 4 0 -10.4918197602486 2684697 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 3.457 3 3 -14.5287664655016 2684671 COC1=CC(=CC(=C1OC)OC)CCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.768 2 6 0 -21.9662743338692 2684667 C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 2.887 2 4 -11.0350019099725 2684640 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 4.482 2 5 0 -12.2322886346224 2684638 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 3.916 2 5 0 -20.4999417745528 2684624 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C4=CC=C(O4)Br 1 4.064 1 4 -11.4208198222247 2684623 COC1=CC=C(C=C1)CC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 4.12 1 4 -11.3776698042106 2684614 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 3.916 2 5 0 -23.735568032194 2684593 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C4=CC=NC=C4 1 2.951 2 3 -11.3017363280475 2684591 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.996 2 5 0 -14.1545157985788 2684576 CC1=C(C=C(C=C1)C(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC)[N+](=O)[O-] 1 4.482 2 5 0 -14.3614961495867 2684559 COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3)F 1 3.011 1 6 0 -18.7501619009999 2684522 C1CCCC(CCC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.386 2 3 -20.4528532109271 2684500 C1CCCC(CCC1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 2.819 2 4 -21.6657921146058 2684469 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2CCCCCCC2 1 3.59 2 3 -13.5523124190023 2684461 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCCC3 1 3.117 2 4 -15.7652865990399 2684460 C1CCC(C1)NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 4 1 2 -4.49414514468666 2684150 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F)Br 1 4.305 1 1 0.224339217117351 2683950 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C)C 1 5.306 1 6 0 -21.176626808946 2683948 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 4.957 1 6 0 -20.1254929276961 2683894 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 4.006 2 5 0 -13.7348246710874 2683891 CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 4.462 2 5 0 -15.4489468176976 2683874 CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N(CC=C)C4=CC=CC=C4 1 5.088 1 6 0 -26.0888930788067 2683867 CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C 1 3.86 2 5 0 -11.4352271225368 2683636 CC1=C(C=C(C=C1)F)NC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 2.562 2 5 0 -19.2367628360947 2683597 CC1=C(C=C(C=C1)F)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.508 3 4 0 -15.1000431409213 2683558 CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CN=C(C=C2)Cl 1 2.51 2 3 -5.33036062955949 2683449 C1=CC=C(C(=C1)NS(=O)(=O)C2=CN=C(C=C2)Cl)F 1 2.246 2 2 -4.64594584159666 2683354 CC1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3)C 1 2.375 2 5 0 -21.414138265316 2683335 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C)C 1 3.401 2 3 -14.4463266723943 2683319 CC1=CC(=CC(=C1)NC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC)C 1 4.028 1 4 -11.5821652503524 2683296 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)C)C 1 3.401 2 3 -17.5845587035107 2683243 CC1=CC(=CC(=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C 1 2.789 3 4 0 -14.5582902449124 2683223 CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F)C 1 3.934 1 3 -8.38827477754493 2683032 CCOC1=CC=CC=C1OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.815 2 5 0 -16.9132896240039 2683022 COC1=CC=C(C=C1)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.466 2 5 0 -13.9470863352073 2682962 COC1=C(C=C(C=C1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)OC 1 2.327 1 7 0 -14.1769449647814 2682961 COC(=O)C1=CC(=CC(=C1)NC(=O)CC2CCCC2)C(=O)OC 1 2.576 1 5 -11.6242493551866 2682957 COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC 1 2.311 1 8 0 -13.8812048658384 2682952 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 1.545 6 4 0 -14.5602288005475 2682940 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC 1 1.681 3 6 0 -11.615008907442 2682930 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2CCC2 1 1.739 4 3 0 -10.9006479918013 2682869 CCSC1=NN=C(S1)NC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.06 5 3 0 -17.5650849260451 2682853 COC1=C(C=C(C=C1)NC(=O)CC2CCCC2)OC 1 2.833 1 3 -11.6636447545795 2682749 C1CC1NC(=O)CC2=C(C=CC=C2Cl)Cl 1 2.891 1 1 -9.27626941487441 2682721 COC1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.074 2 5 0 -21.7882877085904 2682644 C1=COC(=C1)CNC(=O)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC(F)F 1 2.121 6 4 0 -13.1728172430236 2682574 CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC(F)F)C 1 3.904 6 3 0 -10.7275959666101 2682441 C1COCCN1C(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl 1 3.13 3 2 -15.9193407539914 2682154 CC1=C(C(=NO1)C)C(=O)OCC(=O)NCC2=CC=CC=C2 1 1.21 2 4 0 -18.3944761088493 2682099 CC1=C(C(=NO1)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)OC)OC 1 1.171 2 6 0 -16.2256055980383 2681595 CC1=C(C(=NO1)C)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 1.875 2 4 0 -15.7576625134829 2681597 CC1=C(C(=NO1)C)C(=O)OCC(=O)NC2=CC(=CC=C2)OC 1 1.187 2 5 0 -13.6205559869806 2681428 CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)C2=C(ON=C2C)C)C 1 2.84 2 4 -11.2737825529763 2681398 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=C(ON=C2C)C 1 1.58 2 5 0 -16.3854680347799 2681387 CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)C2=C(ON=C2C)C 1 2.354 2 4 -13.8528205901407 2681300 CC1=CC=CC=C1C(=O)NCC(=O)NNC(=O)C2=CC(=CC=C2)Cl 1 2.082 3 3 -14.041188989178 2681272 C1COCCN1C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)OC(F)F 1 1.971 3 4 0 -11.2174432102182 2681244 C1=COC(=C1)CNC(=O)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)OC(F)F 1 2.623 4 5 0 -12.0703276922306 2681219 C1=CC(=CC(=C1)C(F)(F)F)CC(=O)NCC2=CC(=CC=C2)Cl 1 4.263 1 1 -3.64415703905803 2681132 CC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2C(=O)N3CCCCC3 1 3.267 2 3 -11.9285883296299 2681103 COC1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NC3CC3)OC 1 2.279 2 4 -14.0745520006434 2680927 C1CC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC(F)F 1 4.168 3 3 -22.5013978031779 2680607 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C2=CC=CC=N2 1 2.222 2 5 0 -18.195478863541 2680521 CC(C)OC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCC3=CC=CC=C32 1 3.768 1 4 -12.9763354999642 2680069 COC1=C(C(=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl)OC)OC 1 3.304 0 6 -5.75745277352942 2680066 CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)N3CCCCC3 1 3.188 2 4 -16.1302283939399 2680063 COC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2C(=O)N3CCCCC3 1 2.764 2 4 -15.8890508824908 2679855 CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F 1 2.765 2 2 -6.14178852567981 2679827 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CC2=CC=C(C=C2)Br 1 3.43 2 2 -12.5614625775022 2679599 C1=CC=C(C(=C1)CNC(=O)CC2=CC=C(C=C2)Cl)Cl 1 3.985 1 1 -8.97765764227468 2679589 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NCC2=CC=CC=C2Cl 1 3.764 2 3 -21.2356146448876 2679569 C1=CC=C(C(=C1)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)Cl 1 4.228 1 1 -5.23950066316739 2679466 CC1=C(C=CC(=C1)NC(=O)CC2CCCC2)Br 1 4.1 1 1 -6.18540806090181 2679354 CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 2.588 3 3 -12.2053855236765 2679337 CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)OC 1 2.571 3 4 0 -15.1145457713676 2679335 CC1=CSC(=N1)NC(=O)CC2=CC(=CC=C2)OC 1 1.912 2 2 0 -5.95325848673215 2679326 CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.472 3 3 0 -19.3935436812219 2679296 CC1=CSC(=N1)NC(=O)C2CCCC2 1 1.9 2 1 0 -0.912328331504754 2679294 CC1=CSC(=N1)NC(=O)CC2=CC=C(C=C2)OC 1 1.912 2 2 0 -6.26957505640602 2679292 CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)OC 1 1.878 2 2 0 -6.36989403591676 2679232 CC1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3 1 1.456 3 4 0 -19.937341612749 2679228 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C 1 3.831 2 5 0 2.16158067989204 2679217 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC3=NC=CS3 1 2.676 2 3 4.48716142063563 2679202 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=NC(=CS3)C 1 2.719 2 2 -5.01830117684286 2679200 CC1=C(C=C2C(=C1)OC=C2CC(=O)NC3=NC(=CS3)C)C(C)C 1 3.913 2 2 -6.72096487385669 2679190 CC1=CSC(=N1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.096 4 4 0 -15.4253475451344 2679183 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC)C(=O)NC3=NC=CS3 1 2.775 3 4 0 -17.8147391911031 2679182 CC1=CSC(=N1)NC(=O)CC2=CC=CC=C2Cl 1 2.593 2 1 -6.10477679141773 2679179 CSC1=C(C=CC=N1)C(=O)NC2=NC=CS2 1 1.542 3 1 0 -11.5226592950155 2679162 CC1=CSC(=N1)NC(=O)C2=CC3=C(S2)CCCC3 1 3.231 2 1 -8.13169774450542 2679158 CC1=CSC(=N1)NC(=O)COC2=CC3=C(CCC3)C=C2 1 2.786 2 2 -7.84723083003076 2679103 CC(=O)C1=CC(=CC=C1)NC(=O)CC2CCCC2 1 2.606 1 2 -8.90448992866765 2679002 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCC3=CC=CO3 1 2.868 1 4 2.65778162818925 2678985 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC(=O)COC3=CC(=CC=C3)F 1 4.707 0 4 -4.77138138190267 2678952 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.772 3 4 0 -4.93148082207667 2678810 C1=CC(=CC=C1C(=O)NCCC(=O)NC2=C(C=C(C=C2)F)F)[N+](=O)[O-] 1 2.228 3 4 0 -13.8594586079246 2678673 C1=CC(=CC=C1C(=O)NCCC(=O)NC2=C(C(=C(C=C2)F)F)F)[N+](=O)[O-] 1 2.433 3 4 0 -14.3578908964728 2678436 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C32 1 2.709 2 3 -19.6007503177492 2678429 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCC3=CC=CC=C32 1 3.374 2 3 -20.7574484267852 2678425 C1CN(C2=CC=CC=C21)C(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl 1 4.691 1 1 -1.0289892477989 2678419 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C43)C 1 3.549 3 1 -12.55889598367 2678416 COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCC4=CC=CC=C43 1 3.217 1 3 -10.3307573022025 2678142 CC1=CN=C(S1)NC(=O)COC2=CC3=C(CCC3)C=C2 1 2.649 2 2 -7.10455858296781 2678077 CC1=CN=C(S1)NC(=O)COC2=CC=CC=C2OC 1 1.576 2 3 0 -8.76243229528502 2678036 COC1=CC(=CC(=C1OC)OC)CCC(=O)OC2=CC=C(C=C2)C(=O)OC 1 3.559 0 7 0 -12.1318907784055 2678019 COC(=O)C1=CC=C(C=C1)OC(=O)C2=NC=CN=C2 1 1.244 2 4 0 -9.67818570798976 2677992 COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=N2 1 2.395 1 4 -8.40347166446046 2677807 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3N4CCOCC4 1 3.675 3 3 -11.4330415057098 2677795 COC1=CC=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2N3CCOCC3 1 2.916 2 3 -5.67207686996699 2677772 COC1=C(C=C(C=C1)CC(=O)NC2=CC=CC=C2N3CCOCC3)OC 1 2.466 2 4 -11.5253061950813 2677768 COC1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2N3CCOCC3)OC 1 2.431 2 4 -9.27200576698129 2677765 C1COCCN1C2=CC=CC=C2NC(=O)CC3=CC(=C(C=C3)Cl)Cl 1 3.828 2 2 -5.12557721266833 2677756 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4 1 4.024 2 3 -5.09176675138091 2677714 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3CC3 1 1.706 2 6 0 -16.0245788995878 2677697 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4)C 1 3.119 4 2 -9.46011426294171 2677684 CN(CC(=O)NC1=CC=CC=C1N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.638 3 4 0 -11.1385551174211 2677675 C1CN(CCC1C(=O)NC2=CC=CC=C2N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.718 3 4 0 -11.5488770454238 2677661 CC1=C(C=C(C=C1)CC(=O)NC2=CC=CC=C2N3CCOCC3)C 1 3.471 2 2 -6.33302278915755 2677657 COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC=CC=C3N4CCOCC4 1 2.786 2 4 -7.62904279725872 2677655 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4)OC 1 2.897 3 5 0 -19.4462047259086 2677643 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3N4CCOCC4 1 2.546 4 3 0 -8.63365973608127 2677637 C1COCCN1C2=CC=CC=C2NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.667 4 5 0 -16.7042419643165 2677622 CC1=CC(=C(C(=C1)C)OCC(=O)NC2=CC=CC=C2N3CCOCC3)C 1 3.758 2 3 -8.16892944320507 2677616 C1COCCN1C2=CC=CC=C2NC(=O)CN3C=NC4=CC=CC=C4C3=O 1 1.442 4 3 0 -12.3591506544439 2677605 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=NC=C5 1 1.929 4 4 0 -10.490460894074 2677582 CSCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3N4CCOCC4 1 3.608 2 3 -3.92794056920697 2677575 C1COC2=C(O1)C=CC(=C2)CCNC(=O)COC3=CC4=CC=CC=C4C=C3 1 3.472 1 4 -8.14851995540751 2677570 C1COC2=C(O1)C=CC(=C2)CCNC(=O)/C=C/C3=CC=C(C=C3)F 1 3.401 1 3 -7.93229625187703 2677564 COC1=CC=CC(=C1)/C=C/C(=O)NCCC2=CC3=C(C=C2)OCCO3 1 3.18 1 4 -8.72879022822183 2677559 CCOC1=CC=C(C=C1)C(=O)NCCC2=CC3=C(C=C2)OCCO3 1 3.061 1 4 -10.2213246246675 2677553 C1COC2=C(O1)C=CC(=C2)CCNC(=O)C3=CC=CC=C3F 1 2.934 1 3 -11.0041787057461 2677551 C1COC2=C(O1)C=CC(=C2)CCNC(=O)/C=C/C3=CC=CC=C3 1 3.196 1 3 -8.81611709442664 2677541 C1COC2=C(O1)C=CC(=C2)CCNC(=O)C3=CC=C(C=C3)F 1 2.934 1 3 -8.33025823835007 2677512 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCC3 1 3.028 2 3 -17.5692629065425 2677364 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCC(CC3)O 1 1.015 3 3 0 -8.92950921811122 2677304 C1CCC(CC1)CNC(=O)/C=C/C2=CC(=CC=C2)Br 1 4.443 1 1 -3.71431812982909 2677294 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3CCCCC3 1 3.904 2 4 -16.5877406850603 2677291 CC1=CC(=C(C=C1)C)OCC(=O)NNC(=O)C2CCC2 1 2.229 2 3 -6.22323682192424 2677285 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3CCCCC3 1 3.904 2 4 -16.8225942056082 2677284 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2CCCCC2 1 3.041 2 3 -17.1300675939073 2677278 C1CCC(CC1)CNC(=O)C2=CC(=CC=C2)Br 1 3.975 1 1 -6.67527399622944 2677218 CC1=CC=C(C=C1)OCCC(=O)NNC(=O)C2=C(OC(=C2)C)C 1 1.836 2 4 0 -12.5570907134337 2677212 CC1=CC(=C(O1)C)C(=O)NNC(=O)C2=C(C=C(C=C2)SC)OC 1 1.791 2 4 0 -6.19207094736199 2677209 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)F)F 1 3.894 1 3 -6.42885535874482 2677202 CC1=CC(=C(O1)C)C(=O)NNC(=O)/C=C/C2=CC=C(C=C2)OC 1 1.717 2 4 0 -8.83387518366502 2677161 C1CC(C1)C(=O)NNC(=O)C2=CC=CC=C2F 1 1.626 2 2 0 -7.40390314476511 2677156 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2CCC2 1 1.372 2 5 0 -8.79709610141379 2677149 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.021 3 6 0 -18.142721156641 2676980 C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NC3=NC4=CC=CC=C4S3 1 2.218 4 2 -7.47974844252885 2676961 C1=CC=C(C=C1)C(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2 1 2.615 2 3 -6.82787045752571 2676809 C1CC2=C(C1)C=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.971 2 2 -3.64682113454302 2676802 C1CSC(=N1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 1.556 3 3 0 -16.3278726321307 2676787 C1CSC(=N1)NC(=O)C2=CC(=CC=C2)OC(F)F 1 2.908 2 2 -10.9396094254152 2676498 COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=CC=CC(=C2)C(=O)OC 1 2.911 1 6 0 -14.8504428734516 2676442 COC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.832 2 5 0 -9.6431159610802 2676430 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C(=O)OC 1 2.698 3 4 0 -12.3190809785444 2676414 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C(=O)OC 1 1.825 3 4 0 -10.3983620892016 2676408 COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC=CC(=C3)C(=O)OC 1 2.792 1 5 -8.96664052219367 2676403 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C(=O)OC 1 2.552 3 4 0 -10.0194834299938 2676396 COC(=O)C1=CC(=CC=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.672 3 6 0 -17.8039534551984 2676383 COC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.448 3 4 0 -13.6546645535791 2676286 CC1=CC(=NC(=C1C#N)SCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3)C 1 3.014 4 3 0 -20.8794998271725 2676137 CCCC1=CC(=O)N=C(N1)SCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3 1 2.554 4 4 0 -23.6840887090713 2676069 C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)CSC3=NC=CC=N3 1 1.721 4 3 0 -16.2807423534692 2675839 CCC(CC)C1=NN=C(S1)NC(=O)/C=C/C2=CC=CO2 1 3.254 3 2 -10.5543015935272 2675834 CCC(CC)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.285 4 3 0 -12.9584451818854 2675824 CCC(CC)C1=NN=C(S1)NC(=O)CCC2=CC=C(C=C2)OC 1 3.865 3 2 -13.5595032521489 2675760 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3CCCC3 1 3.136 1 3 -4.29095470863306 2675739 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 2.247 2 5 0 -17.9456837378719 2675737 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)Br 1 3.879 1 3 -8.93438516413119 2675712 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 3.725 1 4 -4.15395144491755 2675705 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC(F)F 1 3.936 1 4 -7.24547375002719 2675259 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CS2 1 1.478 2 3 0 -15.3495834101301 2675257 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CS3 1 3.055 2 3 -16.6722331514966 2675234 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC3=CC=CS3 1 1.652 2 4 0 -26.3302969508809 2675231 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CS3 1 2.395 2 3 -24.1174655966853 2675193 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CS3)Cl 1 2.603 2 3 -22.7079738563862 2675177 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2=CC=CS2 1 1.478 2 3 0 -18.4453717635497 2675152 C1=CC=C2C(=C1)C=C(O2)C(=O)NCC3=CC=CS3 1 2.956 1 2 -5.37625429385279 2675117 COC1=CC2=C(C=C1)C(=CO2)CC(=O)NCC3=CC=CS3 1 2.683 1 3 -11.9616792738514 2675116 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NCC3=CC=CS3 1 3.186 1 2 -10.4415354782839 2675114 CC1=CC=C(O1)/C=C/C(=O)NCC2=CC=CS2 1 2.37 1 2 -8.02807472169493 2675106 C1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC=CS3 1 3.698 1 1 -13.17154666827 2675093 CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 2.042 4 3 0 -17.9788548546453 2675083 CC1=NN=C(S1)NC(=O)COC2=CC=C(C=C2)OC 1 1.168 3 3 0 -11.9532113603434 2675068 CC1=NN=C(S1)NC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 1.791 3 4 0 -18.0828539773214 2674878 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)COC3=CC=CC=C3 1 1.062 4 4 0 -12.1332130490923 2674869 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=CC=C3 1 1.576 4 3 0 -9.93035546871135 2674735 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C)C 1 2.882 4 4 0 -20.864356068289 2674720 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(O3)C)C 1 2.809 2 4 -16.5952713441614 2674695 C1CN(CCN1C(=O)COC2=CC=C(C=C2)Br)S(=O)(=O)/C=C/C3=CC=CC=C3 1 2.354 2 4 -8.40215769411695 2674674 C1CN(CCN1C(=O)/C=C/C2=CC=C(C=C2)F)S(=O)(=O)/C=C/C3=CC=CC=C3 1 2.443 2 3 -7.61896545864089 2674621 C1CN(CCN1C(=O)C2=CC3=CC=CC=C3C=C2)S(=O)(=O)/C=C/C4=CC=CC=C4 1 2.678 2 3 -4.47766776038241 2674585 C1CN(CCN1C(=O)/C=C/C2=CC=CO2)S(=O)(=O)/C=C/C3=CC=CC=C3 1 1.633 2 4 0 -8.61193229539527 2674563 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4 1 1.125 4 4 0 -12.1402137043434 2674421 C1CC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 0.707 2 5 0 -24.5900898431729 2674264 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N(C)C 1 2.817 2 5 0 -6.69855927338355 2674119 CC1=CC=C(O1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C 1 3.781 2 4 -13.9339413597735 2674004 COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC3=C(S2)CCCC3)OC 1 3.175 2 4 -11.9488537700606 2673930 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3CCCC3 1 2.565 2 3 -22.5305461216361 2673923 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CO3 1 2.177 2 4 -18.4323592294628 2673842 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=COCCO2 1 -0.351 2 6 0 -15.3739326074921 2673599 CC1=CC(=C(C=C1)Cl)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C 1 4.494 2 3 -4.54343663912257 2673554 CC1=CC(=CC(=C1OC(=O)C2=CC=NC=C2)Cl)Br 1 4.01 1 2 -0.598347632105304 2673481 COC1=CC=CC(=C1)CC(=O)NC2=CC3=C(CCC3)C=C2 1 3.69 1 2 -8.45143862221195 2673476 CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCC3)C=C2)S(=O)(=O)N4CCOCC4 1 2.962 2 4 -23.475022253784 2673474 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC4=C(CCC4)C=C3 1 2.962 2 4 -23.8261904480804 2673471 COC1=CC=CC=C1/C=C/C(=O)NC2=CC3=C(CCC3)C=C2 1 4.123 1 2 -8.00328288201122 2673456 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)F 1 3.877 1 1 -6.9741077116516 2673450 C1CCC(C1)CC(=O)NC2=CC3=C(CCC3)C=C2 1 3.923 1 1 -10.0017897237216 2673442 COC1=CC=C(C=C1)CC(=O)NC2=CC3=C(CCC3)C=C2 1 3.69 1 2 -8.62791728766419 2673435 CC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCC3)C=C2 1 4.157 1 1 -7.65880292071931 2673431 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC3=C(CCC3)C=C2)OC 1 4.106 1 3 -11.6821292239292 2673427 COC1=CC(=C(C=C1)OC)/C=C/C(=O)NC2=CC3=C(CCC3)C=C2 1 4.106 1 3 -8.3409196698186 2673423 C1CC2=C(C1)C=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.706 1 1 -9.02976598329965 2673419 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)F 1 4.541 1 1 -9.0330545823277 2673414 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 3.877 1 1 -6.94692589525406 2673412 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3Br 1 4.42 1 1 -6.98559120052514 2673406 CSC1=CC=CC=C1C(=O)NC2=CC3=C(CCC3)C=C2 1 4.213 1 1 -12.8621189932521 2673396 COC1=CC=CC=C1CC(=O)NC2=CC3=C(CCC3)C=C2 1 3.69 1 2 -10.9239032751965 2673389 C1CC2=C(C1)C=C(C=C2)NC(=O)CN3C=NC4=CC=CC=C4C3=O 1 2.649 3 2 -13.2701854695076 2673308 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 3.398 1 6 0 -17.3764191090645 2673220 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C 1 3.184 3 4 0 -14.657353192855 2673212 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 2.311 3 4 0 -12.7366343035122 2673208 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CC2=COC3=C2C=CC(=C3)OC 1 3.278 1 5 -11.4926167578065 2673202 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCC2=CC(=C(C=C2)OC)OC 1 3.414 1 5 -17.2451348422314 2673198 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCC2=CC=C(C=C2)OC 1 3.43 1 4 -13.1071822096407 2673196 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.158 3 6 0 -20.1475388715536 2673184 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.934 3 4 0 -16.0832465626671 2673168 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 3.502 2 4 -14.7823977439815 2673126 CC1=CN=C(S1)NC(=O)COC2=CC=CC=C2Cl 1 2.257 2 2 -5.45896399615613 2673117 CC1=CN=C(S1)NC(=O)CC2=CC(=CC=C2)OC 1 1.775 2 2 0 -5.21058623966919 2673091 CC1=CN=C(S1)NC(=O)CC2CCCC2 1 2.008 2 1 -6.92210897455369 2673081 CC1=CN=C(S1)NC(=O)COC2=CC=CC=C2 1 1.592 2 2 0 -5.3670610139368 2673057 CC1=CN=C(S1)NC(=O)C2=CC3=CC=CC=C3O2 1 2.352 2 2 0.555880404287706 2673045 CC1=C(C=C(C=C1)CC(=O)NC2=NC=C(S2)C)C 1 2.764 2 1 -4.49975271724633 2672987 C1=CC(=C(C=C1/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)C3=NC=CN=C3)Cl)Cl 1 2.461 4 3 0 -12.5129446143385 2672993 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC=CS3 1 1.184 3 4 0 -14.1763862811378 2673038 CC1=CN=C(S1)NC(=O)C2=CC=CC=C2SC 1 2.299 2 1 -9.8697397019815 2673032 CC1=CN=C(S1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.959 4 4 0 -14.6826752980714 2673027 CC1=CN=C(S1)NC(=O)CC2=CC=CC=C2Cl 1 2.456 2 1 -5.36210454435478 2673021 CC1=CC=C(O1)/C=C/C(=O)NC2=NC=C(S2)C 1 1.765 2 2 0 -3.72085731337357 2672946 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.645 2 5 0 0.576913444855466 2672941 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)F)F 1 2.807 2 3 -7.57748258251088 2672940 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.11 3 5 0 -8.34926314974771 2672927 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2Cl 1 2.863 2 3 -7.47164262791768 2672920 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC 1 1.481 3 7 0 -15.0340366961263 2672914 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 1.733 2 5 0 -14.5616246091703 2672904 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C 1 3.218 4 4 0 -8.90385891621627 2672900 CC1=CC(=NC2=NC(=NN12)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C 1 2.747 6 2 0 -11.5365956094265 2672899 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)OC)OC 1 1.698 2 5 0 -12.3986339758478 2672891 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4(CCCCCC4)NC3=O 1 2.308 4 4 0 -5.60995955000753 2672860 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.626 3 5 0 -11.7100713100895 2672859 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)F 1 2.601 2 3 -10.9899251843406 2672846 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 2.326 2 4 -4.39336948899584 2672826 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.934 4 6 0 -19.7405603784055 2672808 CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N(C)C 1 2.092 3 5 0 -16.206287116225 2672788 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 1.82 3 4 0 -15.1441534276785 2672778 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.06 3 4 0 -15.0399517893284 2672771 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CC2=CC=CC=C2F 1 2.606 2 2 -9.74887173732791 2672764 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CC2=C(C=CC=C2Cl)Cl 1 3.73 2 2 -8.99744162619173 2672761 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.896 2 2 -9.40729087221571 2672755 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl 1 3.73 2 2 -6.21248935314644 2672708 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC3=CC=CC=C3O2 1 2.961 2 3 -2.1025860968819 2672709 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.925 3 4 0 -10.5600772459141 2672723 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=CN=C(C=C3)Cl 1 2.287 3 4 0 -8.62174525859398 2672687 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.546 3 4 0 -16.8185934730235 2672685 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 3.215 3 4 0 -10.1371096364715 2672657 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2CCCC2 1 2.858 2 2 -9.71346627036414 2672654 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)CC2=CC(=C(C(=C2)OC)OC)OC 1 2.838 2 5 0 -14.159523907515 2672641 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C 1 1.969 3 4 0 -18.2850537670774 2672639 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)/C=C/C2=C(C=CC(=C2)OC)OC 1 3.287 2 4 -8.74695818381438 2672635 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)CC2=CC=CC=C2 1 2.887 2 2 -10.8158719953967 2672624 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)/C=C/C2=CC=CO2 1 2.715 2 3 -8.33226654563422 2672606 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CC3=CC=CC=C3O2 1 3.447 2 3 -4.02106568479861 2672604 CCOC1=CC=CC=C1OCCCC(=O)N(C)CC(=O)NC2=C(C=CC(=C2)C)C 1 3.589 2 4 -17.4203649128146 2672602 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.985 3 4 0 -18.1326414400785 2672600 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 2.208 4 3 0 -13.1006814062809 2672598 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)CCC2=CC=C(C=C2)OC 1 3.327 2 3 -13.7415217856158 2672478 COC1=CC=CC=C1CNC(=O)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.241 1 5 -15.2167603834631 2672475 CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)COC(=O)C3=COCCO3 1 2.227 1 5 -9.2057458293545 2672406 CC1=CC=C(C=C1)C(=O)NNC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 2.799 2 5 0 -14.6367833631235 2672376 CC1=CC=C(C=C1)C(=O)NNC(=O)CC2=CC=CS2 1 2.345 2 2 -10.4323543680028 2672202 CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-] 1 3.475 3 5 0 -10.1786343127466 2672061 CC1(C(=O)N(C(=O)N1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C 1 0.752 4 4 0 -17.31404953113 2672056 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=CC(=C3)Cl)Cl 1 4.672 2 3 -4.33871290356171 2671990 CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)OCCOC 1 3.895 1 3 -4.9239923395214 2671985 COCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=CC=CC=C2 1 3.409 1 3 -5.71963990703075 2671982 COCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=CC=CC=C2F 1 3.615 1 3 -6.64061139758054 2671973 COCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=CC=C(C=C2)F 1 3.615 1 3 -4.49088898011899 2671921 CC1(CSC(=NCC2=CC=CC=C2)N1C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C 1 4.369 3 3 -10.0749435545325 2671893 CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)CC3=CC(=C(C(=C3)OC)OC)OC 1 3.662 2 4 -8.42357656125315 2671884 CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 2.793 3 3 -12.8543136563041 2671879 CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3F 1 3.882 2 1 -4.04394238220226 2671840 C1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F 1 4.004 2 1 0.274187701743609 2671792 CC(C)C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 4.031 2 3 -8.0163179661309 2671780 CC1=CC=C(C=C1)CNC(=O)CCCC2=NC3=CC=CC=C3S2 1 4.124 2 1 -10.1793852909235 2671758 CC1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.38 2 4 -21.6364443137917 2671752 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C 1 2.922 2 3 -16.943220718785 2671703 CC1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=C(O2)Br 1 3.538 1 2 -7.16444216156803 2671643 CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4 1 2.545 2 5 0 -21.1255907033721 2671641 CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)C 1 2.633 1 3 -14.4296650917164 2671623 CC1=CC=C(C=C1)CNC(=O)CCNC(=O)C2=CC=CO2 1 1.811 2 3 0 -15.7929516120859 2671569 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC(F)F)OC 1 3.896 1 3 -9.66042881478703 2671520 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC3CCCCC3 1 3.961 1 3 3.80432745716316 2671470 C1=CN=CC=C1C(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl 1 2.82 3 1 1.82867747399718 2671442 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)CCCC4 1 3.148 2 4 -22.418936277779 2671235 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCC3 1 1.361 2 4 0 -18.3311380392362 2671017 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 2.33 2 3 -2.07691168656818 2670966 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C2CCCC2 1 2.55 2 2 -6.11282589608225 2670951 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N(C)CC(=O)NC2=CC=C(C=C2)Cl)Cl 1 3.023 3 4 0 -15.6970708268092 2670947 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N(C)CC(=O)NC2=CC=C(C=C2)Cl 1 1.661 3 4 0 -14.5445754885738 2670572 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)OC 1 0.807 3 6 0 -17.5380017907934 2670547 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)COC3=CC=C(C=C3)OC 1 1.046 4 5 0 -12.0348088204548 2670545 COC1=CC=C(C=C1)OCC(=O)NNC(=O)CC2=COC3=C2C=CC(=C3)OC 1 2.012 2 6 0 -8.21718873744866 2670541 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)COC3=CC=C(C=C3)OC 1 1.394 4 5 0 -13.0400141313045 2670407 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)COC3=CC=CC=C3C 1 1.897 4 4 0 -12.5733270884295 2670238 CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)/C=C/C3=CC=C(C=C3)F 1 4.071 3 1 2.48918498693791 2670221 CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)/C=C/C3=CC(=CC=C3)F 1 4.071 3 1 3.94514863103222 2670204 COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3)OC 1 1.795 4 5 0 -19.5915470728833 2670179 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C)Cl 1 3.877 4 3 0 -9.04461408862683 2670110 CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 2.53 4 3 0 -3.87929875717695 2670128 CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.293 4 3 0 -1.17623154296604 2670106 CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C 1 2.754 5 2 0 -1.71808170627938 2669957 C1CC1C2=NN=C(S2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 1.56 4 3 0 -13.9138467335539 2669942 C1CC1C2=NN=C(S2)NC(=O)COC3=CC=CC=C3C#N 1 1.821 4 2 0 -11.4253852637641 2669938 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)C4CC4 1 3.287 4 3 0 -17.9815411887381 2669923 CC1=CC=CC=C1OCC(=O)NC2=NN=C(S2)C3CC3 1 2.428 3 2 -8.82460361600178 2669903 C1CCC(C1)CC(=O)NC2=NN=C(S2)C3CC3 1 2.358 3 1 -11.014628656561 2669870 C1CC1C2=NN=C(S2)NC(=O)C3=CC=CO3 1 1.502 3 2 0 -7.78320510483948 2669855 C1CC1C2=NN=C(S2)NC(=O)C3=CC4=CC=CC=C4O3 1 2.702 3 2 -3.46675346928988 2669846 CC1=C(C=CC(=C1)OCCCC(=O)NC2=NN=C(S2)C3CC3)Cl 1 3.662 3 2 -10.177184697346 2669841 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4)C 1 2.761 5 1 -11.6601264521022 2669818 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)C4CC4 1 2.189 5 2 0 -10.6652589282294 2669797 CC1=CC(=C(C(=C1)C)OCC(=O)NC2=NN=C(S2)C3CC3)C 1 3.401 3 2 -10.2454305675557 2669788 C1CC1C2=NN=C(S2)NC(=O)CN3C=NC4=CC=CC=C4C3=O 1 1.085 5 2 0 -14.1918048647641 2669729 COC(=O)C1=CC=C(O1)CSC2=NNC(=N2)C3=CC=CC=C3 1 3.49 3 3 -5.44202802931147 2669725 C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC(=O)NCC3=CC=CO3 1 2.183 5 3 0 -9.58741543562111 2669597 CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N)C)C 1 3.112 4 3 0 -10.1789319599353 2669585 COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3)Cl 1 1.856 5 4 0 -20.9579791180744 2669548 CC1=CC(=C2C(=C1)C(=CC(=N2)SCC#N)C)C 1 4.286 2 0 -3.25045430848144 2669516 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC(C)(C)C 1 1.783 2 3 0 -20.1190217656054 2669460 CC(C)(C)NC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3 1 4.131 1 3 -4.60469240210818 2669466 CC(C)(C)NC(=O)/C=C/C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2 1 1.225 2 5 0 -23.2317383115146 2669477 CC(C)(C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3 1 2.908 3 2 -13.4795822802316 2669474 CC(C)(C)NC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2 1 1.53 2 4 0 -24.6343442186877 2669397 CC1=CC(=NC2=NC(=NN12)C(=O)OC3=CC4=C(C=C3)OCO4)C 1 2.107 4 4 0 -13.143139915502 2669378 C1OC2=C(O1)C=C(C=C2)OC(=O)C3=C(C=C(C=C3)F)Cl 1 3.899 0 4 -2.49666181672895 2669375 COC1=CC(=C(C=C1C(=O)OC2=CC3=C(C=C2)OCO3)OC)OC 1 2.98 0 7 0 -10.9502384469285 2669338 C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC=NC=C3 1 1.879 1 4 0 -8.2957590909685 2669322 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)C 1 3.684 2 4 -10.5919481076164 2669167 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)OC)C 1 4.32 2 2 0.318774851120408 2669087 COC1=CC=CC=C1C(=O)NC(=O)CSC2=NN=C(S2)SC 1 2.421 3 3 -15.8147113249959 2669043 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC=C(C=C3)N4C=NN=N4 1 1.648 6 3 0 -18.0796999505725 2668983 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(S2)CCCCC3 1 4.32 1 3 -11.4540416189035 2668973 CC1=CC(=C(C=C1Cl)OC)NC(=O)CC2CCCC2 1 4 1 2 -9.12610999015003 2668887 COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.634 2 3 3.03990759528235 2668772 CCC(C)(C)NC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 1 3.732 1 3 -10.8488833361988 2668739 CCC(C)(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 1 2.983 2 3 -22.5738128162064 2668665 CCC(C)(C)NC(=O)/C=C/C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2 1 1.749 2 5 0 -22.0580117849428 2668630 C1=CC=C2C(=C1)N=C(S2)CCCC(=O)NCC3=CC=C(C=C3)F 1 3.843 2 1 -9.46750826545824 2668611 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NCC3=CC=C(C=C3)F 1 1.837 2 4 0 -21.4555141879026 2668608 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC3=CC=C(C=C3)F 1 2.118 2 4 -22.7701680832385 2668570 C1=CC(=CC=C1CNC(=O)C2=CC=C(O2)Br)F 1 2.79 1 2 -7.34839281968389 2668546 C1=CC=C2C(=C1)C=C(O2)C(=O)NCC3=CC=C(C=C3)F 1 3.422 1 2 -1.71873119968562 2668491 CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl 1 2.879 0 5 -11.0717070603374 2668520 C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F)OC1 1 2.264 2 5 0 -20.4137136779069 2668518 CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)F 1 2.353 1 3 -13.7177880662511 2668514 C1CN(CCC1C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.08 2 3 -16.1053222082518 2668497 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4 1 3.479 1 6 0 -17.5556685879477 2668424 COC1=C(C(=CC(=C1)C(=O)OCC(=O)NC(=O)NC2CCCCC2)Cl)OC 1 3.015 2 6 0 -13.2590496988353 2668416 C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F 1 2.731 2 6 0 -15.915956936806 2668356 CS(=O)(=O)C1=CC=CC(=C1)C(=O)OC2=CC=CC=C2 1 2.787 0 4 -13.6473227718215 2668331 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)OC 1 3.694 1 5 -18.936677352618 2668313 C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=NC=C4 1 2.727 2 4 -10.0519764694185 2668085 CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCCC3=CC=CC=C32 1 2.584 1 5 -18.2231861160716 2668012 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F 1 3.406 1 5 -15.3880915477622 2667982 CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)F 1 5.985 4 2 -17.3697089682238 2667960 C1CN(CCN1C(=O)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4 1 4.683 4 3 0 -11.4057265452259 2667950 C1=COC(=C1)CNC(=O)NC(=O)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)F 1 4.746 4 3 0 -13.1858737613051 2667858 C1CC1C2=NN=C(S2)NC(=O)CCCOC3=CC=C(C=C3)Br 1 3.26 3 2 -10.7831925442513 2667854 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)C4CC4 1 2.335 5 2 0 -12.9648564767799 2667812 C1CC1C2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)Br 1 2.69 3 2 -8.5361219300602 2667714 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC=CC=C3OC 1 2.96 3 4 0 -12.6663361798063 2667694 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC=CC=C3 1 2.976 3 3 -9.48693698429521 2667677 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC(=CC=C3)OC 1 2.96 3 4 0 -9.11986347621984 2667594 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC(F)F 1 2.998 2 4 -19.5949291123838 2667330 C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)F)F 1 3.625 4 1 -5.41824792111229 2667282 CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CO3 1 2.164 2 4 -15.6743977036652 2667166 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)Cl 1 4.008 2 3 -5.05808942868482 2666463 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC=CC=N3 1 2.384 3 3 -22.8737831647409 2666420 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3 1 2.66 3 3 -11.1741368518068 2666416 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=N3 1 1.72 3 3 0 -24.0038740217448 2666258 CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=C(C=C2)Cl)C 1 3.5 2 3 -5.59092118999764 2666125 C1=COC(=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)Cl 1 1.982 2 3 0 -10.0698921932089 2666053 COC1=CC=CC(=C1)CC(=O)NC2=CC=CC3=CC=CC=C32 1 3.541 1 2 -6.09755207696583 2666021 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2.05094172135873 2664314 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3 1 3.452 2 3 3.82179442057881 2664271 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=C(C=CC(=C2)Cl)OC 1 1.636 3 5 0 -13.4300744664826 2664203 COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.355 2 5 0 -20.1886122255319 2664167 C1CN(CCN1C(=O)CCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)F 1 2.818 3 3 -22.0368618725782 2664137 C1CCC(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.285 2 3 -21.8186690961708 2664136 C1CC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.583 2 3 0 -17.2062948046268 2664104 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C4=C(O3)C=CC(=C4)OC)C 1 3.225 2 6 0 -7.87292308034438 2664075 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCC3 1 1.71 2 4 0 -19.0973611909442 2663987 CC1=CC(=NO1)NC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.224 3 5 0 -23.6749905134013 2663707 C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)S(=O)(=O)C4=CC=CC=C4F 1 2.219 2 5 0 -8.84876241791949 2662694 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3 1 2.13 4 5 0 -16.0556459855548 2662612 CC1=CC(=C(C=C1)C)COC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C 1 3.533 1 3 -7.13864278147825 2662563 CC1=CC(=C(C=C1)C)CN2C(=O)C3(CCCCCC3)NC2=O 1 3.985 2 2 -0.826125396429522 2662552 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N(C)CC(=O)NC2=CC=CC=C2Cl)C 1 2.472 3 6 0 -18.6747944908234 2662475 CC(=O)NC1=CC=CC(=C1)C(=O)OCCC2=CC=C(C=C2)OC 1 2.694 1 4 -7.67994172624932 2662456 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2=COCCO2 1 0.165 2 6 0 -15.7791254127009 2662396 CC1=NC=C(N=C1)C(=O)OCC(=O)N(C)CC(=O)NC2=CC=CC=C2Cl 1 0.661 4 4 0 -18.9674049655414 2662344 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2=CN=C(C=C2)Cl 1 1.974 3 4 0 -17.1185397835602 2662274 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC=CC=C3 1 2.976 3 3 -10.2000985789027 2662271 CN1C=NN=C1SCC(=O)N(C)CC(=O)NC2=CC=CC=C2Cl 1 1.049 5 2 0 -23.84733059178 2662107 CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=COCCO3 1 1.337 5 4 0 -7.2240672878099 2662031 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NNC(=N2)N 1 1.274 5 3 0 -12.9815365403953 2661384 CCSC1=NN=C(S1)SCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 0.835 5 3 0 -19.1300248532325 2661379 CCSC1=NN=C(S1)SCC(=O)NC2CCCCC2 1 3.196 3 1 -17.9955676406186 2661339 CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 3.281 1 5 -8.63977632317181 2661072 C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=CC=C3F 1 2.901 4 1 -12.9402586939337 2661069 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=CN3C4=CC=CC=C4 1 1.789 6 2 0 -23.1037752382835 2661065 C1CCC(C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3 1 2.521 4 1 -14.67105510521 2660777 C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=C(C=CC(=C3)F)F 1 3.107 4 1 -11.0102392086048 2660566 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC3=NC(=CS3)C4=CC=CC=N4 1 3.901 3 3 11.5120031779111 2660542 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=CC=N4 1 2.192 5 2 0 -1.54646187850057 2660503 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=N4 1 2.87 4 3 0 -13.3618851159556 2660046 CN1C(=NN=C1SCC(=O)NC2CC2)COC3=CC=C(C=C3)Cl 1 2.457 4 2 -15.2249300857606 2660034 C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3 1 2.696 4 1 -11.9666801503292 2660027 C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=C(C=C(C=C3)F)F 1 3.107 4 1 -11.2069269117499 2659927 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 2.157 2 5 0 -21.2868254290561 2659282 CN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CC=C3 1 1.957 4 1 0 -14.4751514912032 2659053 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)N(C)C3CCCCC3)C 1 1.886 5 3 0 -17.1074068924448 2659047 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)NC3CCCCC3)C 1 1.681 5 3 0 -18.369356607636 2658862 CN(CC1=CC=C(C=C1)F)CC(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 2.666 3 2 -3.30408789791134 2658616 CN(CC(=O)NC1=CC(=CC=C1)F)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.417 3 2 -9.22660121198743 2658392 CN(CC(=O)NC1=CC=C(C=C1)OC)CC(=O)NC2=C(C3=C(S2)CCC3)C#N 1 2.168 4 3 0 -19.7478132302442 2658134 CN(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)CC(=O)NC(=O)NCC2=CC=CC=C2 1 2.708 4 3 0 -7.44863606920196 2658094 CN(CC(=O)NC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 2.689 3 4 0 -5.88748830011332 2657166 CCN(CC(=O)NC1=CC=C(C=C1)OC)CC(=O)NC2=CC3=C(C=C2)OCO3 1 1.693 3 5 0 -8.27911311922067 2656760 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC(=CC=C3)OC)C 1 4.473 1 3 4.21974016721918 2656096 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F)C 1 4.432 2 4 -11.3922648417517 2655774 COC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)Cl 1 1.975 3 4 0 -17.5606344598527 2655740 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4C)C 1 4.462 2 4 -11.7736868076837 2655678 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)C 1 4.154 2 4 -12.1296409845533 2655562 C1CN(CCN1CC(=O)NC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3 1 2.205 3 3 -19.3981679011537 2655390 COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)NCC3=CC=C(C=C3)Cl 1 3.24 3 2 -4.15866285905751 2655102 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCC(CC3)C 1 1.112 5 3 0 -10.5666884931532 2655002 CC1CCN(CC1)CC(=O)NC2=CC=CC=C2C#N 1 2.004 3 1 -9.74145371660926 2654574 COC1=NC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)OC(F)F 1 3.26 2 3 -4.28681292126988 2654548 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NCC2CCCCC2 1 3.008 2 3 -14.653875939491 2654075 C1CN(CCN1CC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3F 1 3.462 3 1 -3.1724853033993 2653894 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 2.418 4 2 -3.83541539247442 2653763 CC1=C(SC=C1)C(=O)OCC2=CC(=O)N3C=CSC3=N2 1 1.989 2 3 0 -17.7800815322182 2653638 COC1=CC=CC=C1N2CCN(CC2)CC(=O)NCC3=CC=C(C=C3)Cl 1 3.24 3 2 -5.93966077353156 2653436 CC(C)(C)C(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3 1 3.885 4 1 -8.47451106906932 2653296 CC1CCN(CC1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)C 1 3.201 1 4 -6.04025042695945 2653287 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NC3CCCCC3 1 3.684 1 4 -4.69222848928088 2653275 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NC3=CC=CC=C3OC 1 3.386 1 5 -5.30994507220061 2653268 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NCC3=CC=CC=C3 1 3.409 1 4 -6.60841126097046 2653253 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NCC3=CC=CO3 1 2.591 1 5 -7.87606426024578 2653247 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N(C)CC3=CC=CC=C3 1 3.615 1 4 -4.5024632879688 2653240 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N(C)C3=CC=CC=C3 1 3.608 1 4 -1.72029405644525 2653186 COC1=C(C=C(C=C1)C(=O)NCC2CCCCC2)S(=O)(=O)N3CCCC3 1 2.788 2 4 -21.6994902348544 2653159 C1CC(C1)C(=O)NNC(=O)C2=CC=C(C=C2)Br 1 2.169 2 2 -4.46354830636656 2652360 C1COC2=C(O1)C=CC(=C2)C(=O)OCC3=CC=CC=C3C#N 1 2.933 1 4 -10.2150600362162 2652312 CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.905 2 5 0 -29.5306441052759 2652308 CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2 1 3.309 2 3 -18.0877188136524 2652292 CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)C2=COCCO2)C 1 1.872 1 5 0 -7.80638144785988 2652291 CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=COCCO2 1 0.906 2 5 0 -13.9783844340087 2652290 C1COC(=CO1)C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F 1 0.625 2 5 0 -13.2665074085435 2652213 C=CCN1C(=NN=C1SCC(=O)NC2CC2)COC3=CC=C(C=C3)F 1 2.615 4 2 -20.6915291951355 2651614 C1=CC(=C(N=C1)Cl)C(=O)OCC2=NN=C(O2)C3=CC=CS3 1 2.437 3 3 -10.9990493370557 2650837 C=CCN1C(=NN=C1SCC(=O)NC2CCCC2)COC3=CC=C(C=C3)F 1 3.527 4 2 -20.1779230149683 2650387 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC2=CC3=C(C=C2)OCCO3)N 1 2.369 4 5 0 -14.7876046456622 2650230 CCN(CC(=O)NC(C)C)C(=O)[C@H](C)NC(=O)C1=CC=C(C=C1)Br 1 1.671 3 3 0 -18.7305153646949 2650227 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(O2)C)OCC 1 2.085 2 5 0 -13.3034079209541 2650226 CCOC1=CC=C(C=C1)CN(C)C(=O)C2=CNC(=O)C=C2 1 0.966 2 3 0 -9.38550464872045 2650216 COC1=CC(=CC(=C1OC)OC)CC(=O)NCCCC2=CC=CC=C2 1 3.384 1 4 -14.2129313013809 2650204 CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4 1 3.541 3 2 -11.6818835588394 2650191 CC1=CC(=C(O1)C)C(=O)N(C)CC(=O)NC2=CC=CC=C2C(F)(F)F 1 2.217 2 3 -11.9523288745642 2650177 CCN(CC(=O)NC(C)C)C(=O)[C@H](C(C)C)NC(=O)C1=CC=CO1 1 1.161 3 4 0 -22.9988476885823 2650169 CN(CC1=CC=CC=C1F)C(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 3.326 2 2 -14.321516902995 2650163 CCN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC=NC=C2 1 1.062 3 3 0 -12.3301274755317 2650157 CC(=O)NCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CS2 1 1.283 3 3 0 -17.9244907253795 2650154 CCOC1=C(C=C(C=C1)CN(C)C(=O)C2=C(N=CC=C2)SC)OC 1 3.073 2 3 -15.4138827637297 2650140 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)C2=C(N=CC=C2)SC 1 2.371 3 2 -20.3220684950985 2650111 C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=CC4=C(C=C3)OCCO4 1 2.694 2 3 -6.59655096937007 2650084 CCCNC(=O)NC(=O)COC1=CC=C(C=C1)C2=CC=C(C=C2)C#N 1 2.923 3 3 -9.82080276479192 2650041 C1=CC(=CC=C1NC(=O)C2=NC=C(C(=C2Cl)Cl)Cl)OC(F)F 1 4.691 2 2 -1.41319140475377 2650015 CN(CCOC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 3.147 3 4 0 -5.76409129676763 2649957 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3 1 4.538 4 2 -30.7268497667944 2649943 CC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NCCN3C(=O)CSC3=O)C4=CC=C(C=C4)C 1 4.659 4 3 0 -17.9080287649115 2649934 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)C)OCO3 1 1.565 1 6 0 -10.671992248546 2649899 CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC(=O)C3=CC=CNC3=O 1 2.663 2 4 -12.8325699567903 2649895 CC1=CC(=NC2=NN=C(N12)SCC3=NN=C(O3)C4=CC=CS4)C 1 2.898 6 1 0 -16.821481372237 2649861 CCC(=O)C1=C(C=CC(=C1)F)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.848 1 5 -11.943171353791 2649750 CC(C)[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)C)NC(=O)N 1 0.867 3 3 0 -17.1549758027175 2649620 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC(=O)C=C(N3)N)C 1 1.057 5 4 0 -24.7367136922696 2649585 C1CN(CCN1C(=O)CSC2=NN=CS2)S(=O)(=O)C3=CC=CC=C3 1 0.695 4 3 0 -27.5974024279621 2649578 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NC3=NC=C(C=C3N2)Cl 1 3.276 4 3 0 -12.8849616457081 2649562 C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NCC3=CC=CO3 1 2.072 3 3 -25.0728854623658 2649518 C1=CC(=CC=C1CC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)Cl 1 1.726 2 5 0 -12.2383737821853 2649456 C1=CC(=O)N(C=C1C(F)(F)F)CC2=CC(=O)N3C=C(C=CC3=N2)Br 1 0.982 3 2 0 -7.17212348870717 2649393 CN(CC1=CC=C(C=C1)Br)CC(=O)NCCCC2=CC=CC=C2 1 4.072 2 1 -8.59463221354494 2649390 CC1CCC(CC1)NC(=O)CCNC(=O)C2=CC=CC=C2 1 2.456 2 2 -18.4308195014166 2649382 CC(C)[C@@H](C(=O)NCC1=CC=CS1)NC(=O)C2=CC=C(C=C2)OC 1 2.732 2 3 -22.6479617564544 2649357 C1=COC(=C1)C(=O)NC2=NC(=CS2)C3=CC=CS3 1 2.907 2 2 -1.16725797206682 2649355 C1C(=O)NC2=CC=CC=C2N1C(=O)COC3=C(C=C(C=C3)Br)F 1 2.416 2 3 -10.1258963128864 2649354 C1C(=O)NC2=CC=CC=C2N1C(=O)/C=C/C3=CC=CC=C3F 1 2.3 2 2 -8.7590996966968 2649350 C1C(=O)NC2=CC=CC=C2N1C(=O)COC3=C(C=C(C=C3)F)Br 1 2.416 2 3 -10.7529200207781 2649348 CC1=CC=C(O1)/C=C/C(=O)N2CC(=O)NC3=CC=CC=C32 1 1.635 2 3 0 -8.78751943624382 2649344 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC(=O)NC4=CC=CC=C43 1 1.855 4 3 0 -16.4163562319023 2649332 CN(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)/C=C/C2=CC=C(C=C2)F 1 3.882 2 2 -3.55706442779834 2649216 CC1=C(C(=NO1)C)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F 1 2.851 3 2 -3.89853523834916 2649214 CC1=C(C(=NO1)C)C(=O)NC2=NC(=C(S2)C)C3=CC=C(C=C3)OC 1 2.57 3 3 -10.3036344828855 2649212 CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(ON=C3C)C)C 1 3.413 3 2 -3.57785949650492 2649211 CC1=C(C(=NO1)C)C(=O)NC2=NC3=C(S2)C=C(C=C3)F 1 2.327 3 2 -6.67262647627384 2649204 CC1=C(C(=NO1)C)C(=O)NC2=CC=C(C=C2)C3=NN=C4N3CCCCC4 1 2.42 5 2 0 -13.9193371421768 2649164 CCCCC1=CC=C(C=C1)NC(=O)C2=C(ON=C2C)C 1 3.351 2 2 -10.3028307727363 2649155 CC1=C(C(=NO1)C)C(=O)NC2=NC3=CC=CC=C3S2 1 2.122 3 2 -7.24363889940122 2649147 CC1=C(C(=NO1)C)C(=O)NC2=NC=CS2 1 0.494 3 2 0 -11.5582952869935 2649132 CC1=C(C(=NO1)C)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC 1 2.105 3 3 -9.09273671504581 2649064 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CN=C(C=N3)C 1 2.061 4 3 0 -16.8377774423938 2649061 CCOC1=C(C=CC=N1)C(=O)OCC2=CSC(=N2)CC(=O)NC3=CC=CC=C3C 1 3.372 3 4 0 -16.2863820004815 2648861 COC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)C3=C(C=C(C=C3)O)O 1 2.968 2 5 0 -1.1736491832629 2648859 CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 1.887 3 4 0 -11.8739765714584 2648799 CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)C3=C(C=C(C=C3)O)O 1 3.558 3 3 -4.02488673337949 2648827 CC1=CC(=CC=C1)NC2=NN=C(S2)SCC(=O)C3=C(C=C(C=C3)O)O 1 3.558 3 3 -1.77371208428955 2648804 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)C3=C(C=C(C=C3)O)O 1 3.558 3 3 -3.91426098492964 2648790 C1COC(=CO1)C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 0.952 2 5 0 -6.44721427473536 2648615 CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 4.46 1 4 -9.08390015456432 2648560 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.039 3 4 0 -19.5947206428245 2648555 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)CCCC4 1 3.651 2 3 -22.0059700686349 2648543 CC1=CC=C(C=C1)CNC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 3.654 2 2 -10.6861041961502 2648520 COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 2.978 3 3 -17.4958837613012 2648485 C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)Cl)C(=O)N2CC1 1 3.652 3 2 -10.2610029852835 2648481 C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)F)C(=O)N2CC1 1 3.193 3 2 -11.3711246504051 2648475 C1CCC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)C(=O)N2CC1 1 2.994 3 2 -15.7834746258707 2648456 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC4=C(C=C3)OCCO4 1 2.084 3 4 0 -11.5363085456721 2647994 C1CC(=O)N(C1)C(=O)COC(=O)C2=C(C=C(C=C2)O)O 1 0.506 1 6 0 -8.52829428067429 2647611 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br 1 1.639 3 4 0 -16.8098952107806 2647579 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)C3=CC=C(S3)Cl 1 3.098 2 3 -2.34707338064937 2647474 C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C(=O)C(=C(C=N3)Cl)Cl 1 1.042 3 4 0 -2.87967842986291 2647464 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 3.307 3 4 0 -10.4855545141902 2647327 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC(=O)NC4=CC=CC=C43 1 2.144 3 4 0 -11.9474106749136 2647203 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)O)O 1 1.624 2 6 0 -6.90096317670053 2647201 C1=CC(=C(C=C1O)O)C(=O)OCC2=CC(=O)N3C=CSC3=N2 1 1.066 2 5 0 -10.251229961859 2646395 C1=CC(=C(N=C1)Cl)C(=O)OCC2=CC=C(C=C2)Br 1 3.74 1 2 -1.76275452025997 2646375 CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.949 4 4 0 -19.2989450464128 2646373 CC1CCN(CC1)C(=O)COC(=O)C2=C(OC(=C2)C)C 1 1.514 1 4 0 -15.4997388537514 2646358 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NCC3=CC=CO3 1 2.611 4 2 -19.1404814720952 2646355 COC1=CC=C(C=C1)CCNC(=O)CSC2=CC=CC=N2 1 2.708 2 2 -13.5181568578477 2646335 C1CCN(C1)C(=O)COC(=O)C2=CC=CC=C2O 1 1.17 1 4 0 -7.34300829656041 2646222 COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)Cl)OC 1 2.632 1 6 0 -17.4041536261118 2646205 CC1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 2.3 2 5 0 -19.2456790638617 2646131 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.485 1 6 0 -14.7393703021422 2646109 C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2)/C=C/C(=O)C(F)(F)F 1 2.102 2 4 -7.05944161315638 2646099 COC1=CC=C(C=C1)OCCOC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3 1 3.434 1 7 0 -16.1183370169097 2646036 C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)NCC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 2.823 2 5 0 -18.1192716196481 2646023 CC(C)NC(=O)NC(=O)CN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 1.168 3 4 0 -9.31595771627488 2646014 C1CCCC(CCC1)NC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.898 2 4 -16.9048731496347 2645998 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NC=CC(=O)N4 1 3.585 4 2 -4.96796561981246 2645940 C1=CC=C(C(=C1)COC(=O)C2=CC(=O)C3=CC=CC=C3O2)C#N 1 2.935 1 4 -7.89827597085761 2645884 C1=CC=C(C=C1)CCNC(=S)NN=CC2=CC(=C(C=C2)F)F 1 4.547 3 0 -7.03728725117722 2645865 CC1=CC(=C(O1)C)C(=O)OCC(=O)NCC2=CC=CC=C2 1 1.723 1 4 0 -15.8240527737319 2645864 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=CC=CC=C2 1 1.716 1 4 0 -11.2215689244152 2645859 CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CC=C(S2)Br 1 1.872 2 3 0 -12.8861644345521 2645840 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)COC3=CC=CC=C3 1 0.961 2 7 0 -25.616010860764 2645833 CC1=C(N2C=CC=CC2=C1)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC 1 3.594 2 5 0 -10.1008272353773 2645812 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=CS3 1 1.287 2 4 0 -17.3055774888019 2645777 C1CCC2=C(NC(=S)C(=C2C1)C#N)C3=CC=CC=C3Cl 1 4.455 2 0 -4.08345295445026 2645741 C1=CC(=C(C=C1NC(=O)CSC2=NC(=O)C=C(N2)N)Cl)Cl 1 2.2 4 2 -13.3640963594035 2645722 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)N(CCOC)CCOC)Cl 1 2.694 2 4 -8.44221632181801 2645690 COC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC 1 2.942 1 7 0 -25.7666334512184 2645661 COC1=CC(=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC 1 2.942 1 7 0 -22.7390778657424 2645648 COC1=CC(=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Br)OC 1 3.429 0 5 -7.02364031514376 2645646 COC1=CC=CC(=C1OC)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.942 1 7 0 -26.0683757083103 2645635 COC1=CC=CC(=C1OC)C(=O)OCC(=O)C2=CC=C(S2)Br 1 3.429 0 5 -10.3529381577116 2645622 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)N 1 0.276 4 7 0 -30.7913380601872 2645586 COC1=C(C=C(C=C1)Br)C=NN2C(=O)CSC2=S 1 3.527 2 2 -3.73046377003959 2645518 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)C2=CN=C(C=C2)Cl 1 2.227 3 6 0 -23.0754201097822 2645512 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(O3)Br 1 2.938 1 6 0 -23.4417290189062 2645504 C1=CC=C(C(=C1)COC(=O)C2=CC=C(O2)Br)C#N 1 3.11 1 3 -5.87797186244287 2645485 C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=CC=CC=C3C#N 1 2.915 1 4 -8.76975888264776 2645333 CC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3 1 1.94 3 5 0 -16.3841529024559 2645094 COCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)COC(=O)C2=COCCO2 1 1.03 1 7 0 -11.2548534056312 2644916 C1CC1NC(=O)CSC2=NN=C(S2)NC3=CC=CC=C3 1 1.849 4 1 0 -16.936252046046 2644789 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3 1 2.413 3 4 0 -13.5457352164512 2644768 CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3CC3 1 4.031 3 2 -21.2877583526205 2644744 COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 2.685 3 5 0 -23.4180550185593 2644595 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NCC2=CC=CO2 1 1.801 2 5 0 -17.2568194792773 2644561 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2CCC2)N 1 0.896 4 3 0 -8.47204948585164 2644556 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC=CC=C2F)N 1 1.552 4 3 0 -9.75130599287841 2644414 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3CCC3 1 2.131 4 3 0 -7.53004761880362 2643691 CC1=CC(=C(C=C1)C)C(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 3.658 2 3 -5.14054140535469 2643682 CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 3.269 2 4 -9.84588261301909 2643335 C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CSC=C3 1 2.113 2 3 -8.53680405935806 2643326 C1OC2=C(O1)C=C(C=C2)C(=O)NN=C/C(=C/C3=CC=CC=C3)/Cl 1 3.18 2 3 -7.63867454426898 2643132 CCOC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.486 2 5 0 -3.52585135424885 2642917 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC=C(O3)Br 1 2.724 2 4 -6.79657668281694 2642838 CC1=CC=C(S1)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3 1 2.86 2 3 -6.74524418377892 2642728 CC(C)(C)C1=CC=C(C=C1)C=NN2C(=O)CSC2=S 1 4.196 2 1 -2.64197022700706 2642709 C1C(=O)N(C(=S)S1)N=CC2=C(C=CC=C2F)F 1 3.206 2 1 -6.26070773703108 2642676 C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CSC3=NC=CC(=O)N3 1 3.209 3 2 -14.0838815439388 2642490 CC(C)[C@@H](C(=O)OCC(=O)NC1=C(C=CC=C1F)F)NC(=O)OCC2=CC=CC=C2 1 3.682 2 5 0 -16.5890831720619 2642484 CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CC=CS2)/C#N 1 3.847 2 1 -14.956482078746 2642420 C1CN(CCC1C(=O)OCC(=O)NC2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC=CS3 1 2.108 2 5 0 -17.0227810913278 2642373 CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CSC(=N2)NCC=C 1 2.639 3 3 -15.5728463601236 2642360 CC(=CC(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)C 1 2.081 2 6 0 -9.94080161449424 2642319 COC1=CC=CC(=C1OC)/C=C/C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 2.166 1 7 0 -9.01367502505963 2642310 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N(C)C3=CC=CC=C3)C)C 1 3.497 3 2 -18.5031522330427 2642293 COC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C 1 1.954 2 6 0 -22.6976610698858 2642271 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NN=CC5=CC=C(O5)[N+](=O)[O-] 1 5.749 4 4 0 -2.94444348412674 2642268 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=C(C=C(C=C5)F)F 1 4.71 4 3 0 -19.8963263171299 2642265 CCNC(=S)NN=C1C2=CC=CC=C2C3=CC=CC=C31 1 3.913 3 0 -9.68089203893495 2642228 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=CC=CC=C2F 1 1.922 1 4 0 -12.3197659330555 2642226 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.675 2 7 0 -17.6651582981905 2642214 C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 1.697 2 5 0 -17.5868970943837 2642213 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CS3 1 1.079 2 6 0 -26.5412491894386 2642209 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 1.995 3 7 0 -27.0091479372883 2642206 CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C)C 1 5.408 1 3 -11.8994733315881 2642105 C1=CC=C2C(=C1)C(=NC=N2)OCC(=O)NCC3=CC=CO3 1 1.735 3 3 0 -8.34457055368072 2642093 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)COC(=O)C4=CC=CC=C4 1 3.808 1 5 -15.6162701999165 2642069 COCC(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl 1 0.952 2 6 0 -11.2532993199274 2642021 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.91 2 5 0 -20.0834329706988 2642001 C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2Br)S(=O)(=O)C3=CC=CS3 1 2.445 2 5 0 -18.910483988917 2641997 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3 1 3.581 1 6 0 -11.6662176625245 2641994 CC1=CC(=C(O1)C)C(=O)OCC(=O)NCCC2=CC=CC=C2 1 2.044 1 4 -15.2324992618661 2641974 COC1=CC=CC(=C1)NC(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 2.035 2 7 0 -12.6373160428333 2641842 C1CN(CCN1C(=O)CSC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3 1 2.97 2 3 -19.5559440275429 2641696 C1CCCC(CCC1)NC(=O)CSC2=NC(=CC(=N2)N)N 1 2.529 5 1 -13.5969154760972 2641429 C1CCC(C1)NC(=O)NC(=O)CSC2=NC(=CC(=N2)N)N 1 0.94 6 2 0 -13.0097156271518 2641318 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC(=O)OCC 1 2.597 3 4 0 -7.5428451496435 2666998 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C 1 4.044 1 5 -16.4164403649549 2666966 CC(=O)C1=CC=C(C=C1)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 3.443 0 6 -12.9301693927395 2666853 COC1=C(C=C(C=C1)Cl)NC(=O)CC2CCCC2 1 3.514 1 2 -6.71471539349727 2666799 C1CC(C1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 2.085 2 2 -3.00688856126512 2666755 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CC3CCCC3 1 3.017 2 3 -10.4138048189617 2666729 CC1=C(C=CC(=C1)C(=O)NCC2CCCCC2)[N+](=O)[O-] 1 3.607 2 3 -11.5845234055531 2666720 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2CCCCC2 1 3.041 2 3 -20.1284617208021 2666714 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C 1 2.848 4 4 0 -10.2097548160779 2666713 C1CCC(CC1)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.121 2 3 -9.21154209810944 2666708 CC1=C(C=C(C=C1OC)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OC 1 3.219 2 5 0 -9.81520376928994 2666648 C1=CC=C2C(=C1)N=C(S2)CCCC(=O)NC3=NC=CS3 1 2.628 3 1 -6.89134495156656 2666673 C1CC(C1)C(=O)NNC(=O)C2=CC=CC=C2 1 1.421 2 2 0 -5.62453481936129 2666570 C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=NC=CS4)OC1 1 1.049 3 5 0 -16.249812851062 2666565 CN(CC(=O)NC1=NC=CS1)S(=O)(=O)C2=CC=C(C=C2)F 1 0.786 3 3 0 -10.4983753760802 2666619 COC1=CC=CC(=C1)CC(=O)NC2=NC=CS2 1 1.63 2 2 0 -6.59197316457334 2666609 C1=CC(=C(C=C1Cl)C(=O)NC2=NC=CS2)[N+](=O)[O-] 1 2.17 3 3 -5.39445252725568 2666608 C1=CC(=CC(=C1)F)/C=C/C(=O)NC2=NC=CS2 1 2.285 2 1 -2.76579146410861 2666604 COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=NC=CS2 1 2.053 2 4 -12.9480993241939 2666511 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3 1 2.444 3 3 -9.49338770913509 2666516 C1=CC(=CC=C1C(=O)NCCC(=O)NC2=NC=CS2)[N+](=O)[O-] 1 0.814 4 4 0 -16.0640622229756 2666526 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)NC3=NC=CS3)OC 1 2.044 3 4 0 -19.0049699663956 2666534 CC1=C(C=C(C=C1)CC(=O)NC2=NC=CS2)C 1 2.619 2 1 -5.69284304781667 2666542 COC1=CC2=CC=CC=C2C=C1C(=O)NCC3=CC=NC=C3 1 2.363 2 2 -7.56334009141729 2666537 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4=CC=NC=C4 1 2.239 3 3 -22.988455419125 2641100 CC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 2.991 3 4 0 -21.0953188973422 2641006 COC1=CC=CC=C1CC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 4.12 1 4 -13.4762335820841 2640892 CC1=CC(=C(C=C1)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 3.471 3 4 0 -19.5136325953263 2640887 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=NC3=CC=CC=C3N2 1 0.761 5 4 0 -10.6820194901842 2640876 COC1=C(C=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)OCO3)OC 1 2.84 1 5 -13.943252632933 2640714 COC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=C(S2)Br 1 3.446 0 4 -9.21059504071762 2640663 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCOC3=CC=CC=C3 1 2.122 1 6 0 -22.9464567804833 2640648 COC1=CC=C(C=C1)OCCOC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 2.311 1 7 0 -21.4409467309951 2640627 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCCOC3=CC=CC=C3 1 2.786 1 6 0 -20.9093571515941 2640609 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=CC=C3)Br 1 2.082 2 4 -15.598745583781 2640600 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=CC=C3 1 2.975 1 5 -23.776478898966 2640551 C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=CC=CC=C2F 1 1.784 2 4 0 -13.7179322373945 2640467 C1CN(CCN1C(=O)CSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.221 2 3 -21.1374796603926 2640435 C1CC2=C(C1)C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 3.401 2 4 -10.0742392676463 2640428 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Cl 1 3.372 2 3 -17.2032746432053 2640418 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=CO3 1 2.37 1 6 0 -22.1677059717298 2640408 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=CO3 1 0.729 2 5 0 -14.1720444894874 2640327 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)O 1 2.733 1 6 0 -20.9185664010599 2640320 CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=N2 1 2.27 3 3 -13.5300434093364 2640240 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 0.748 3 7 0 -13.8929803762419 2640207 COC1=CC(=C(C=C1)Br)C(=O)NCC2CCCCC2 1 3.958 1 2 -6.94087193355449 2639976 CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)OC)Br 1 4.517 0 5 -5.81889976959425 2639878 CC1=CC(=C(C=C1)C)SCC(=O)NC(=O)NC2CCCC2 1 3.586 2 2 -9.50918577918963 2639815 COCCCN1C(=O)C2=C(N=C1SCC3=NN=C(O3)C4=CC=CC=C4)SC5=C2CCC5 1 3.957 4 3 0 -26.2299793581758 2639578 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)C3=C(C=C(C=C3)OC)OC 1 3.455 1 6 0 -10.0043767344613 2639566 COC1=CC(=C(C=C1)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3)OC 1 3.106 0 6 -6.57872989705001 2639475 CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)OC 1 3.296 2 5 0 -12.0950723593732 2638834 COC1=CC(=C(C=C1)C(=O)CN2C(=O)C3(CCCCCC3)NC2=O)OC 1 2.652 2 5 0 -6.32035752822048 2638787 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)C2=C(C=C(C=C2)OC)OC)C 1 3.129 1 7 0 -12.6492425520891 2638282 CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2OC 1 1.297 2 6 0 -15.925458977213 2638235 COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCCO3)OC 1 2.694 0 7 0 -12.2589061385576 2638209 COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32)OC 1 2.291 1 6 0 -13.290844800212 2638058 COC1=CC(=C(C=C1)C(=O)COC(=O)C2=NNC3=CC=CC=C32)OC 1 2.98 2 5 0 -14.2003684095666 2637980 CC1=NC=C(N=C1)C(=O)OCC(=O)C2=C(C=C(C=C2)OC)OC 1 1.318 2 5 0 -12.9418530268071 2637877 COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CN=C(C=C2)Cl)OC 1 2.631 1 5 -10.2768588433075 2637857 COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3)OC 1 2.676 0 7 0 -10.8136049849892 2637529 C1=CC(=CC=C1CO)C(=O)OCC(=O)C2=CC=C(S2)Cl 1 2.749 0 4 -5.59582569982248 2637342 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)NC3CCCCC3 1 4.017 1 5 -2.48461444610618 2637109 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)N 1 1.635 6 3 0 -17.4332519912521 2636785 CCOC1=CC=CC=C1C(=O)OCC(=O)NCC2CCCCC2 1 3.266 1 4 -13.9661377130285 2636772 COC1=CC(=CC(=C1OC)OC)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.269 3 6 0 -22.5003386624145 2636445 COCCCN1C(=O)C2=C(N=C1SCC(=O)NCC=C)SC3=C2CCC3 1 2.558 3 3 -35.6904376362986 2636191 CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 1.495 3 4 0 -10.8900944304861 2636053 CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=CN=C(C=C2)Cl)C 1 2.318 2 5 0 -19.8719673156477 2635849 CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC(=CC=C3)Cl 1 2.707 4 3 0 -18.4919591696598 2635741 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3CCC3)C)C 1 3.322 2 3 -14.1310083924951 2635738 CC1=CC(=C(C=C1)NC(=O)COC2=CC=CC3=CC=CC=C32)O 1 3.602 1 3 -1.68368033106304 2635522 CC1=CC=C(O1)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2OC 1 1.717 1 6 0 -8.86921362476251 2635271 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3OC 1 3.258 1 6 0 -4.83995192585931 2635251 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N3CCCC3=O 1 2.071 1 5 -6.22594938584851 2634837 CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2CCCCCCC2 1 4.681 2 2 -19.651046189683 2634693 C1COCCN1CCNC(=O)COC2=CC=C(C=C2)C#N 1 0.578 3 3 0 -13.3362324857466 2634652 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 3.177 2 3 -16.649044187861 2634603 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC=CC=C43 1 3.123 3 2 -15.0422129136407 2634576 COC1=CC2=CC=CC=C2C=C1C(=O)N3CCC4=CC=CC=C43 1 3.787 1 2 -9.80455250934363 2634561 C1CN(CCN1C(=O)CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.897 2 4 -19.451061995937 2634482 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2CCC2 1 1.916 2 2 0 -8.00027381356698 2634418 CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3 1 3.542 2 3 -11.6432322265375 2634367 C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=CC(=CC=C2)OC(F)F 1 3.189 2 5 0 -12.2657383305233 2634382 C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)C#N 1 2.262 3 4 0 -14.5868246981709 2634334 C1CCC(CC1)NC(=O)NC(=O)COC2=CC=CC=C2Cl 1 3.176 2 3 -8.71633680440355 2634327 COC1=CC=CC=C1C(=O)OCC(=O)NC(=O)NC2CCCCC2 1 2.367 2 5 0 -13.1798946436721 2634238 CC1=C(C(=CC=C1)NC(=O)CN2C3=CC=CC=C3OC2=O)C 1 3.154 2 3 -3.79326520755108 2634179 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C#N 1 2.892 3 2 -3.80495450214833 2634087 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C4=CC(=CN=C4)Br 1 3.699 2 3 -10.2968620348131 2634064 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCCC3=CC=C(C=C3)OC 1 3.991 1 4 4.90755904361409 2634063 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CCC4=CC=CC=C43 1 3.96 1 3 1.34442548424403 2633843 COC1=CC=CC=C1C(=O)NC(=O)COC2=C(C=CC(=C2)Cl)Cl 1 3.634 1 4 -6.60193794817312 2633806 CCN1C(=NN=C1SCC(=O)N2CCCC2=O)C3=CC=CS3 1 2.015 4 2 -18.1894983749993 2633537 C1CC(=O)N(C1)C(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 1.806 2 4 0 -15.6488865284874 2633469 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N2CCCC2=O)C 1 1.211 2 6 0 -17.8724257150976 2633192 C1CC(=O)N(C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N 1 0.17 3 5 0 -21.9993030908696 2633150 COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCCC3=O 1 1.089 5 3 0 -24.2871337023705 2633043 C1COCCN1C2=CC=C(C=C2)NC(=O)COC3=CC(=CC=C3)Cl 1 2.964 2 3 -4.10014968322424 2632966 C1CC2=C(C1)C=C(C=C2)NC(=O)COC3=CC(=CC=C3)Cl 1 4.171 1 2 -6.76577396644105 2632928 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)C(=O)NCC3=CN=CC=C3 1 2.623 3 3 -10.9184916956816 2632905 CC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.76 2 5 0 -17.4775161263795 2632862 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.279 3 3 -8.05814082746564 2632840 COC1=C(C=C(C=C1)CNC(=O)NC2=CC=CC(=C2)C(F)(F)F)OC 1 3.439 2 3 -4.98195337515067 2632827 C1CCC(C1)NC(=O)COC2=C(C=C(C=C2)Br)Br 1 3.772 1 2 -5.23454960269162 2632794 C1=CC=C2C(=C1)C=C(O2)C(=O)COC(=O)CC3=CC=C(C=C3)F 1 3.776 0 4 -2.68929728547901 2632776 C1=CC=C(C(=C1)SCC(=O)C2=CC=CO2)Cl 1 3.687 0 2 -3.86450616013691 2632733 CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CC2=CC(=C(C=C2)OC)OC 1 2.063 1 6 0 -15.4195382462772 2632678 C1CCC(C1)NC(=O)NC(=O)COC2=C(C=C(C=C2)Br)Br 1 3.552 2 3 -5.9937032499152 2632604 C1COC(=CO1)C(=O)OCC(=O)NCCCC2=CC=CC=C2 1 1.019 1 5 0 -15.7397986276357 2632581 C1C(=O)NC2=CC=CC=C2N1C(=O)COC3=C(C=C(C=C3)Br)Br 1 2.959 2 3 -9.77000294872417 2632577 CC(C)NC(=O)NC(=O)COC1=C(C=C(C=C1)Br)Br 1 2.876 2 3 -8.84889354311014 2632575 CC(C)(C)NC(=O)NC(=O)COC1=C(C=C(C=C1)Br)Br 1 3.081 2 3 -8.46526753597326 2632561 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3(CCCC3)C4=CC=CC=C4F 1 3.075 3 4 0 -16.5178197139462 2632556 CC1=CC=C(O1)C=NNC(=O)CN2C=CC(=N2)C(F)(F)F 1 2.096 4 2 -9.01169302075631 2632412 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.758 3 5 0 -11.4777747344517 2632408 CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 3.269 3 5 0 -10.0704748295289 2632406 CC1=CC(=C(N1C2CC2)C)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 3.044 2 4 -7.41089359538124 2632210 CCOC(=O)C1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC 1 2.752 2 8 0 -12.9415523645081 2632064 C1=COC(=C1)CNC(=O)NC(=O)CSC2=CC=C(C=C2)Cl 1 2.641 2 3 -6.64853597347494 2632017 C1CC2=C(C1)C=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl 1 4.171 1 2 -6.1578427897023 2631969 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC4=CC=CC=C4Cl 1 4.669 1 4 -5.54157482247593 2631946 C1CCC(C1)NC(=O)NC(=O)COC2=CC=CC=C2Cl 1 2.719 2 3 -8.36186829023547 2631886 C1CC1NC(=O)COC2=CC=C(C=C2)Br 1 2.111 1 2 -7.17084488350553 2631835 CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2CC2 1 2.635 1 3 -8.78293541816445 2631686 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CO3 1 1.566 2 5 0 -8.19899430111118 2631574 C1=COC(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl 1 2.709 1 4 -8.64138803025407 2631438 CC1=CC=CC(=C1O)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2OC 1 2.421 1 6 0 -7.72517378098147 2631392 CC1=CC=CC(=C1O)C(=O)OCC(=O)N2CCCC2=O 1 1.234 1 5 0 -9.94454095643096 2631192 CCCC1=CC(=O)N=C(N1)SCC(=O)NC(=O)NC2CCCC2 1 2.189 4 3 0 -18.9915707151448 2631191 CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCCC2=O 1 1.253 3 3 0 -19.3463353162752 2631185 CC1=C(C=C(C=C1)C(=O)OCC2=CC(=C(C=C2)OC)F)S(=O)(=O)N3CCOCC3 1 2.748 1 6 0 -19.9849860384068 2631021 CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)C)C 1 4.757 0 4 -7.10104248933312 2630889 COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)OC 1 2.903 2 5 0 -13.1456105813247 2630845 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 1 3.909 2 3 -11.7087758080668 2630829 CCOC1=CC=CC=C1NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 1 3.268 2 4 -14.3524696691844 2630817 CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 1 3.406 2 4 -12.2553278559237 2630702 CC1=CC=C(C=C1)COC(=O)C2=NC3=CC=CC=C3C=C2 1 4.369 1 2 -4.45207530276058 2630465 C1CC(=O)N(C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N 1 0.908 2 4 0 -12.8293336885759 2630438 COC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O 1 2.971 1 5 -8.32597873428182 2630390 CC1=NC=C(N=C1)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2OC 1 0.587 3 5 0 -16.535191815796 2630332 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C 1 2.483 3 5 0 -26.627518539291 2630328 CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)CSC3=NN=NN3C 1 2.852 5 1 -14.4597212644856 2630325 CN1C(=NN=N1)SCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 0.557 6 2 0 -27.3028533652096 2630313 CC1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=NN3C)C)C 1 3.619 5 1 -16.2529681487113 2630303 CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=NN3C 1 1.559 5 1 0 -18.5486749469379 2630296 COC1=CC=CC=C1C(=O)NC(=O)CSC2=NN=C(S2)N 1 1.132 4 3 0 -15.4734055071958 2630279 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C 1 2.369 5 3 0 -21.8000839689179 2630277 COC(=O)C1=CC=C(O1)CSC2=NN=C(S2)N 1 1.552 3 3 0 -10.9690273187493 2630238 CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)CSC3=NN=NN3C 1 3.341 5 3 0 -22.5438962163969 2630233 CCC1=C(C(=C(S1)NC(=O)CSC2=NN=NN2C)C(=O)OCC)C 1 2.149 5 3 0 -26.0672438145078 2630224 CN1C(=NN=N1)SCC2=CC=C(O2)C(=O)OC 1 1.135 4 3 0 -18.033597166949 2630204 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=NN2C)N 1 -2.8e-002 7 3 0 -24.5101309711522 2630202 CN1C(=NN=N1)SCC2=NN=C(O2)C3=CC=CC=C3Br 1 2.048 6 1 0 -16.1454577756946 2630185 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C 1 2.044 5 3 0 -24.9764327607378 2630181 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C 1 2.66 5 3 0 -21.3029734940035 2630180 CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=NN2C)C 1 1.133 5 3 0 -28.9492332243368 2630179 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.175 3 6 0 -5.34088374891977 2630172 CN1C(=NN=N1)SCC2=CC=CC3=CC=CC=C32 1 2.715 4 0 -12.1525545684929 2630170 CN1C(=NN=N1)SCC2=CC(=O)N3C=CSC3=N2 1 8.8e-002 6 1 0 -25.2594314313231 2630158 CN1C(=NN=N1)SCC(=O)NCC2=CC(=C(C=C2)OC)OC 1 0.834 5 3 0 -27.8041228204715 2630150 CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CSC3=NN=NN3C 1 3 5 3 0 -24.294632961262 2630094 CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=NN=NN2C)C 1 1.612 6 2 0 -20.530662928618 2630084 C1=CN=C(C=N1)C(=O)OCC(=O)C2=CC=C(S2)Cl 1 1.48 2 3 0 -7.27378404469205 2630075 CN1C=NN=C1SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 0.529 4 3 0 -14.7782322605081 2629994 C1CCC(C1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)F 1 2.82 1 3 -5.82669649646002 2629619 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=CC=CC=C2O 1 1.866 2 5 0 -9.1133672665606 2629249 C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)Cl 1 2.591 2 4 -9.78461834374537 2629234 CN1C=CC=C1C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3 1 1.687 2 5 0 -14.7490736649825 2629221 C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)Cl 1 1.774 2 4 0 -10.224361498672 2629186 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)F 1 2.913 2 3 -18.3133963083269 2629169 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)Cl 1 1.998 2 4 0 -13.3325981108435 2628887 CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=CC(=CC=C3)O 1 2.779 1 4 -10.4009365701155 2628803 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C2=CN=C(C=C2)Cl 1 1.9 2 5 0 -13.8701976322964 2628581 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C2=CC(=CC=C2)OC(F)F 1 2.982 1 6 0 -11.5832893493905 2628457 COC1=C(C=C(C=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)F 1 3.036 1 5 -18.7255648615381 2628354 COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)F 1 2.927 1 6 0 -19.5506804237608 2628337 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)N2CCCC2=O 1 0.107 2 6 0 -22.093705927411 2628319 COC(=O)C1=CC=C(O1)CN2C(=O)C3=CC=CC=C3C2=O 1 1.774 1 5 0 -5.45095775228758 2628256 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CC=C3)O 1 1.929 2 5 0 -8.48644383279672 2628255 CN1C=NN=C1SCC(=O)NC(=O)C2=CC=CC=C2OC 1 0.975 4 3 0 -20.5897531556556 2628215 CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3F 1 3.99 0 4 -6.57965040541861 2628135 C1CC(=O)N(C1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 1.549 2 6 0 -11.8668714599939 2628000 C1CCC(C1)NC(=O)NC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.384 2 3 -6.37338521010069 2627993 COC1=CC=CC=C1C(=O)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 2.199 2 6 0 -9.45075438991509 2627962 C1CCC(C1)NC(=O)NC(=O)CSC2=CC=C(C=C2)Cl 1 3.278 2 2 -5.80815954417363 2627946 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C2=CC=CO2 1 1.572 1 6 0 -10.1986900288999 2627931 C1CC1NC(=O)COC(=O)C2=CC=C(C=C2)F 1 1.44 1 3 0 -10.6491925418105 2627797 COC1=CC=CC=C1C(=O)OCC(=O)NC(=O)NC2CCCC2 1 1.91 2 5 0 -12.825426129504 2627716 CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)Br 1 4.533 0 4 -5.6956562765771 2627712 CC1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3)OC 1 2.687 1 5 -10.754417563983 2627658 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2N3CCOCC3)OC 1 2.769 2 4 -10.1927258127336 2627647 CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3Br 1 4.533 0 4 -5.80803039054434 2627636 C1CC(=O)N(C1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 0.884 2 6 0 -16.9545428446277 2627555 C1CN(C2=CC=CC=C21)C(=O)COC3=C(C=C(C=C3)F)Br 1 3.684 1 2 -8.56091370571259 2627522 C1COCCN1C2=CC=CC=C2NC(=O)COC3=C(C=C(C=C3)F)Br 1 3.253 2 3 -6.09528269413483 2627495 C1CC(=O)N(C1)C(=O)COC(=O)C2=CC(=CC(=C2N)Cl)Cl 1 1.572 2 4 0 -10.7404837869302 2627425 C1=CC=C(C=C1)CNC(=O)NC(=O)COC2=C(C=C(C=C2)Cl)Br 1 3.649 2 3 -3.95792456783373 2627357 CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)CSC3=NC(=CC(=N3)N)N 1 3.327 5 1 -5.57622630771885 2627344 CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC(=CC(=N3)N)N 1 2.035 5 1 -9.66517999017117 2627302 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)N)N 1 1.103 5 3 0 -13.1093599590923 2627276 CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC(=CC(=N2)N)N 1 2.162 5 1 -12.1454139518092 2627267 C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=CC=CC(=C2)C#N 1 2.262 3 4 0 -15.4883073530972 2627212 CC1=CC=C(O1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.516 1 6 0 -20.9356237941173 2627181 CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC(=O)N3C=CSC3=N2)OC 1 3.138 2 5 0 -15.5346380888746 2626871 C1CCC(CC1)NC(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 2.333 2 6 0 -15.5660721635 2626333 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=CC(=C3)C#N 1 1.61 2 5 0 -14.338870217237 2626256 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC=CC(=C3)C#N 1 2.937 2 3 -15.0578361905782 2626197 C1=CC(=CC(=C1)C(=O)OCC(=O)NCC2=CC=CO2)C#N 1 1.389 2 4 0 -17.9129894768386 2626055 CC1=CC=C(O1)C(=O)OCC(=O)NC2CCCCC2 1 2.144 1 4 -8.88990318519648 2626079 CC1=CC=C(O1)C(=O)OCC2=NC3=CC=CC=C3S2 1 3.086 1 3 0.769088393240589 2626020 C1=CN=CC=C1C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 -4.1e-002 3 4 0 -12.8610780259085 2625986 CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C2=CC=NC=C2)Cl 1 2.374 3 3 -6.9631841064828 2625974 CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC2CC2)OC 1 2.822 1 5 -12.4371191771214 2625652 C1=CSC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)Br 1 2.817 1 3 -14.617799667866 2625620 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)Br 1 2.857 2 4 -10.7429827483852 2625576 C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)Br 1 2.793 2 3 -8.54183447955584 2625551 COC1=CC=CC=C1CNC(=O)COC(=O)C2=NC=CN=C2N 1 0.232 4 4 0 -18.1453910649341 2625524 C1CCC(CC1)NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2 1 1.663 2 4 0 -17.5230674857754 2625519 COC1=CC=CC=C1CNC(=O)COC(=O)C2=CSC(=N2)NCC=C 1 1.691 3 4 0 -19.1410834079835 2625320 COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CC=C3OC 1 1.276 2 7 0 -22.9277347093932 2625080 CC1=CC(=C(N1CC(F)(F)F)C)C(=O)COC(=O)C2=CC=C(C=C2)O 1 3.297 1 4 -8.53515274570651 2624741 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)O 1 1.866 2 5 0 -9.2284475827314 2624515 C1=CC=NC(=C1)C(=O)OCC(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 2.935 2 3 -12.6683282254615 2624463 CCC1=CC=CC=C1NC(=O)CN(C)C(=O)COC(=O)C2=CC=CC=C2Cl 1 3.194 2 4 -15.8100810846036 2624413 C1CCCC(CCC1)NC(=O)COC(=O)C2=CC=CC=C2Cl 1 4.18 1 3 -11.1091785533298 2624222 CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)Br 1 4.568 2 1 -12.5266580984266 2624196 CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3Cl 1 4.449 0 4 -5.96824187411559 2624124 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(N=CC=C2)Cl)Cl 1 2.709 2 3 -9.7279433051376 2624017 CN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=C(C=C3)Cl 1 2.622 4 1 -12.1786363843012 2623938 CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3CC3)OC 1 1.919 2 6 0 -19.4980621451605 2623882 COC1=C(C=C(C=C1)CNC(=O)CN2C=C(C=CC2=O)C(F)(F)F)OC 1 1.395 2 4 0 -16.0015092468551 2623831 C1CCC(C1)NC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 1.246 2 2 0 -9.34829341355396 2623743 C1CC1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4 1 2.383 5 1 -14.0306894648062 2623482 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCCO4 1 2.628 3 4 0 -12.7223090829931 2623480 CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCCO4 1 3.084 3 4 0 -14.4364312296034 2623466 C1CCC(CC1)N2C(=NN=C2SCC#N)CC3=CC=CS3 1 3.985 4 0 -16.7755947907402 2623463 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.61 3 4 0 -11.2770079294247 2623459 CCOC1=CC=C(C=C1)OCCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.798 1 5 -9.75098431021039 2623396 C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=CC=CC=C4F 1 4.198 4 1 -15.5249843714324 2623236 CN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)C3=CC=CC=C3 1 3.32 3 3 -9.62690336747743 2623223 CN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CO2)C3=CC=CC=C3 1 2.013 5 3 0 -14.6665846320848 2623068 CC(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=NC=C3 1 2.62 5 1 -17.5137205558102 2623056 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4 1 2.609 6 2 0 -19.5465379240036 2623034 CN(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4 1 4.229 4 2 -13.4434375246027 2622916 CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC(=O)NCC3=CC=CO3 1 3.188 3 3 -8.05069459283947 2622886 C1CN(CCN1C2=CC=CC=C2F)C(=O)CNC(=O)C3=CC=CS3 1 2.092 3 2 -8.23103307970212 2622866 C1CC1NC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=C4N3C=CC=C4 1 2.022 5 2 0 -23.638029277046 2622858 C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NN=C4N3C=CC=C4 1 3.321 6 1 0 -23.4386080386353 2622821 CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CN3C(=O)C4(CCCC4)NC3=O 1 2.079 4 4 0 -12.0955533374052 2622796 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)F 1 1.359 3 3 0 -6.23246574889641 2622789 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 5.9e-002 4 5 0 -9.75353607082361 2622771 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4C(=O)C5(CCCC5)NC4=O 1 2.708 3 5 0 -9.00548020650319 2622753 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CN3C(=O)C4(CCCC4)NC3=O 1 2.129 3 4 0 -9.6363288223098 2622741 C1CCC2(C1)C(=O)N(C(=O)N2)CC3=CC(=O)N4C=CSC4=N3 1 0.382 4 3 0 -12.6180924670558 2622723 CSC1=CC=C(C=C1)CN2C(=O)C3(CCCCC3)NC2=O 1 3.098 2 2 1.02590158799217 2622711 C1CCC2(CC1)C(=O)N(C(=O)N2)CC3=CC(=CC=C3)C(F)(F)F 1 3.499 2 2 1.92234737794599 2622707 C1=CC2=NN=C(N2C=C1)SCC3=CC(=CC=C3)[N+](=O)[O-] 1 3.166 4 2 -14.046267307853 2622703 C1=CC2=NN=C(N2C=C1)SCC3=C(C=CC=C3Cl)Cl 1 4.6 3 0 -10.5047421968619 2622700 C1=CC2=NN=C(N2C=C1)SCC3=C(C=CC=C3Cl)F 1 4.141 3 0 -11.9703927030978 2622698 C1=CC2=NN=C(N2C=C1)SCC3=C(C=C(C=C3)Cl)Cl 1 4.6 3 0 -9.0159035388896 2622696 C1=CC2=NN=C(N2C=C1)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.166 4 2 -12.4212985882215 2622663 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C4(CCCCC4)NC3=O 1 0.702 5 4 0 -17.8958290995144 2622660 CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=O)C3(CCCCC3)NC2=O)C 1 3.068 3 3 -8.59936074872146 2622645 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C4N3C=CC=C4)C 1 4.274 3 2 -9.78370657496827 2622635 CC(C)CCNC(=O)NC(=O)CSC1=NN=C2N1C=CC=C2 1 2.108 5 2 0 -22.7757777819438 2622634 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.385 3 5 0 -13.4732481598617 2622633 COC(=O)C1=CC=C(O1)CSC2=NN=C3N2C=CC=C3 1 2.6 3 3 -14.200360081773 2622602 C1CCC(C1)NC(=O)NC(=O)CSC2=NN=C3N2C=CC=C3 1 1.93 5 2 0 -18.3022706905543 2622592 C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NN=C5N4C=CC=C5 1 4.21 3 2 -10.5617771322856 2622591 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 1.459 4 4 0 -8.38718843984476 2622588 C1=CC2=NN=C(N2C=C1)SCC(=O)NNC(=O)C3=CC=C(C=C3)Br 1 2.33 5 2 0 -17.8362410437446 2622585 CC1=CC=CC=C1NC(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 2.096 3 3 -9.86350406452203 2622584 CC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C3N2C=CC=C3 1 2.064 4 2 -21.3007531862672 2622581 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3Cl 1 2.274 3 3 -7.2981470171036 2622550 C1=CC2=NN=C(N2C=C1)SCC(=O)NC3=C(C=CS3)C(=O)N 1 1.113 5 2 0 -19.2367379710243 2622544 COC(=O)C1=CC=C(C=C1)CN2C(=O)C3(CCCCC3)NC2=O 1 2.412 2 4 -5.17161835945598 2622540 C1CCC2(CC1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.451 3 4 0 -3.27361313983488 2622530 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4C(=O)C5(CCCCC5)NC4=O 1 3.164 3 5 0 -9.35994872067127 2622528 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3C(=O)C4(CCCCC4)NC3=O)C 1 3.559 2 4 -1.94637749965661 2622492 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CN3C(=O)C4(CCCCC4)NC3=O 1 2.585 3 4 0 -9.99079733647788 2622478 CC(=O)C1=CC(=C(C=C1)OC)CN2C(=O)C3(CCCCC3)NC2=O 1 2.28 2 4 -7.39635191835532 2622463 C1CCC2(CC1)C(=O)N(C(=O)N2)CC3=CC(=O)N4C=CSC4=N3 1 0.838 4 3 0 -12.9725609812239 2622461 CC1=CC(=C(C(=C1)Cl)NC(=O)CN2C(=O)C3(CCCCC3)NC2=O)C 1 3.246 3 3 -4.74895912601306 2622441 CC1=CC(=C(C=C1C(=O)CN2C(=O)C3(CCCCC3)NC2=O)C)C 1 3.688 2 3 -3.49250475775041 2622265 C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.168 2 5 0 -16.5099189756828 2621889 C1CCN(C1)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3 1 2.816 1 4 -12.5040828842551 2621873 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3 1 2.846 2 5 0 -14.3781885883894 2621649 CCCN(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)OC(F)F 1 6.309 2 1 -7.73568343367489 2621639 CSC1=CC=CC=C1NC(=O)CN2CCCCC2 1 2.415 2 1 -10.2286155318998 2621631 CC1=CC=C(O1)CN(C)C(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3 1 1.949 3 3 0 -7.63410639587323 2621598 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)F 1 3.528 3 2 -11.8885747329754 2621589 COCCN1C=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.186 4 4 0 -26.8130728750214 2621569 CCN(CC(=O)NC(C)C)C(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC 1 2.056 3 5 0 -26.6904928061956 2621540 CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCCC#N 1 5.189 4 0 -6.36322502228505 2621436 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC4=CC=C(C=C4)C(=O)C 1 3.744 1 5 -8.67612035908447 2621404 CC(=O)C1=CC=C(C=C1)OCC2=CC(=O)N3C=CSC3=N2 1 1.418 2 3 0 -15.6983106902532 2621380 C1CC1(C2=CC=CC=C2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.328 2 3 -4.28466265970869 2621377 CCN(CC(=O)NC1=CC(=CC=C1)OC)CC(=O)NC2=CC=CC=C2C 1 2.411 3 3 -8.37757802475517 2621367 CC(=O)C1=CC=C(C=C1)OCC(=O)NCC2=CC=C(C=C2)F 1 2.402 1 3 -11.3128065382208 2621339 CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4 1 3.362 6 2 0 -22.486478475678 2621310 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)S(=O)(=O)C2=CC=C(C=C2)F 1 1.424 2 5 0 -6.17572818983746 2621309 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 1 2.286 6 2 0 -21.6562119181308 2621257 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4.609 5 2 0 -14.2995063213999 2612697 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=CC=C3)OC 1 1.733 5 4 0 -14.8968712668683 2612694 C1=CC=C(C(=C1)C2=NN=C(O2)CSC3=NN=C4N3C5=CC=CC=C5S4)Br 1 4.872 5 1 -9.4805548300394 2612661 CCN(CC)C(=O)CSC1=NN=C2N1C3=CC=CC=C3S2 1 3.011 4 1 -16.8611016812933 2612650 CC(C)NC(=O)CSC1=NN=C2N1C3=CC=CC=C3S2 1 2.834 4 1 -19.5315604390111 2612601 COC1=CC=C(C=C1)OCCSC2=NN=C3N2C4=CC=CC=C4S3 1 4.663 3 2 -5.15893133319871 2612599 C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=C(C=C3)OC(F)F 1 3.414 1 4 -10.7953571749793 2612492 CC1=CC(=NO1)NC(=O)CSC2=NC(=NC3=C2C4=C(S3)CCCC4)C 1 3.307 4 2 -28.1836700024712 2612489 C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)OC(F)F 1 2.732 2 5 0 -9.54463026129202 2612442 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC=C(C=C2)OC(F)F 1 3.878 1 4 -12.9687987900021 2612441 CC1=C(SC2=C1C(=NC=N2)SCC3=CC=C(O3)C(=O)OC)C 1 3.736 2 3 -10.5066846195521 2612432 CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC(=O)NCC3=CC=CO3)C 1 2.429 4 3 0 -15.5877373028801 2611874 CC(C)CN1C(=NN=C1SCC(=O)NCC2=CC=CS2)C3=CC=C(C=C3)OC 1 3.967 4 2 -21.0050611977881 2611782 COC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)N3CCCC3 1 2.01 4 2 -15.9515694087034 2611728 CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)O 1 2.334 1 6 0 -7.47827656326711 2611723 COC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC3CC3 1 1.833 4 2 0 -18.2919672348855 2611612 CC1=CC(=C(C=C1)C(=O)OCC(=O)NCC2=CC=CS2)O 1 2.312 1 4 -11.1744440188712 2611589 COC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.486 5 5 0 -16.4530756697509 2611574 COC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC=C(O3)C(=O)OC 1 3.195 3 4 0 -12.8593596431477 2611539 COC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)N3CCCC3=O 1 1.589 4 3 0 -18.9383384418314 2611430 C1CC2=C(C1)C=C(C=C2)OCC(=O)N3CCC4=CC=CC=C43 1 3.787 1 2 -11.1820200266817 2611425 COC1=CC=C(C=C1)NC(=O)COC2=CC3=C(CCC3)C=C2 1 3.49 1 3 -7.14965231132244 2611417 COC1=CC=CC=C1CNC(=O)COC2=CC3=C(CCC3)C=C2 1 3.497 1 3 -12.9919137054642 2611413 COC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 1.932 5 3 0 -21.5256954424298 2611408 CC1=CC=C(C=C1)CNC(=O)COC2=CC3=C(CCC3)C=C2 1 4 1 2 -10.5357326138892 2611267 COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC4=CC=CC=C4C3 1 3.694 3 3 -21.5489355461537 2611266 COCCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=C(C=C3)Cl 1 2.491 4 2 -18.1357689109563 2611145 COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(O3)C(=O)OC 1 3.682 2 5 0 -16.8775084896939 2611068 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC 1 4.077 2 4 -19.001427274192 2611059 COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=C(C=CS3)C(=O)N 1 2.195 4 4 0 -21.0677076161417 2610970 CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCOCC3 1 2.381 3 3 -22.778057433254 2610946 CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4 1 3.445 2 5 0 -12.4876837321851 2610943 CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(O3)C(=O)OC 1 4.34 2 4 -19.7036064888967 2610879 C1COCCN1C2=CC=C(C=C2)NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4 1 2.369 2 5 0 -9.82582388708575 2610835 CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4 1 4.053 1 4 -11.1964547662555 2610765 COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCC3 1 2.288 3 3 -21.5675151592528 2610743 COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F 1 3.684 3 3 -21.2568891047916 2610715 COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3OC 1 2.725 3 4 0 -23.7583453368727 2610704 COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.517 3 5 0 -25.7973080037891 2610695 COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)F 1 2.947 3 3 -19.5151134157492 2610689 CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC)C 1 3.714 3 3 -20.6157544400445 2610640 COCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3F 1 3.894 2 2 -18.2230763570118 2610613 COCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(O3)C(=O)OC 1 3.017 2 5 0 -19.8925878157616 2610597 CC(C)NC(=O)CSC1=NC2=C(N1)C=C(C=C2)OC 1 2.198 3 2 -12.9425020465267 2610574 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC(=C(C=C3)OC)OC 1 3.023 3 4 0 -14.3528135406317 2610566 COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=O)C3=CC=CC=C3 1 1.998 4 4 0 -24.0116895249369 2610472 CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NN=NN3C4=CC=C(C=C4)Cl 1 4.026 6 2 0 -19.9979872745035 2610393 C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=NN3C4=CC=C(C=C4)Cl 1 3.388 5 1 -22.4163679966483 2610246 C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)Cl 1 2.666 6 4 0 -19.9081187359763 2610226 CCOC(=O)NC(=O)CSC1=NN=NN1C2=CC=C(C=C2)Cl 1 2.3 5 3 0 -19.171527696516 2610204 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=NN2C3=CC=C(C=C3)Cl)N 1 2.213 7 3 0 -23.2998620645702 2610196 CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=NN3C4=CC=C(C=C4)Cl)C 1 3.398 6 1 0 -18.8644136009514 2610134 C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NN=NN3C4=CC=C(C=C4)Cl 1 2.98 6 1 0 -16.4746154930037 2610084 C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=NN3C4=CC=C(C=C4)Cl 1 2.113 6 2 0 -24.4711128062256 2610055 C1=CC(=C(N=C1)Cl)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)Cl 1 2.824 6 1 0 -19.6120823039372 2609971 CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NOC(=C3)C 1 3.34 4 3 0 -28.0474861457689 2609967 CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4S3 1 5.425 3 1 -12.2411026607055 2609912 COC(=O)C1=CC=C(O1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 4.725 2 4 -21.0887613077247 2609888 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 5.12 2 3 -23.0728421880012 2609878 CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 3.588 4 3 0 -30.437906278935 2609829 CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CC4 1 3.832 3 3 -25.1171340506295 2609475 CCN(CC)C(=O)CSC1=N/C(=C/C2=CC(=C(C=C2)Cl)Cl)/C(=O)N1C3=CC=CC=C3F 1 5.482 3 2 -20.6825051923887 2609472 COCCNC(=O)CSC1=N/C(=C/C2=CC(=C(C=C2)Cl)Cl)/C(=O)N1C3=CC=CC=C3F 1 4.448 3 3 -23.2934412411801 2609080 CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)NC3CCCC3 1 2.732 5 2 0 -23.6972721244293 2609075 C1=CC=C2C(=C1)C=NN=C2OCC(=O)NCC(F)(F)F 1 1.71 3 2 0 -9.19738974818262 2609065 CC(C)CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC 1 2.907 2 4 -17.2136862722235 2609053 CC(=O)N1CCN(CC1)C(=O)CCC2=CNC3=CC=CC=C32 1 1.245 3 2 0 -10.8654106001416 2609049 C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)NCC(F)(F)F 1 1.786 2 5 0 -27.628480615018 2609047 CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)NC3CC3 1 1.819 5 2 0 -24.2108783045965 2609006 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)CC(=O)NC2=CC=CC=C2Br 1 3.283 3 2 -6.59132690366045 2608941 CCN(CC(=O)NC1CC1)CC(=O)NC2=CC=CC=C2C(F)(F)F 1 1.797 3 2 0 -11.4746685089649 2608949 CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CC2=CC=CS2 1 3.514 2 1 -7.90436484825717 2608952 CN(CC1=CC=CS1)CC2=NC(=NO2)CC(=O)NC3=CC=CC=C3OC 1 2.095 4 3 0 -10.5722914172552 2608969 C1=CC=C(C(=C1)C(=O)NCCC(=O)N(CC2=CC=CO2)CC3=CC=CS3)Cl 1 3.305 2 3 -19.0368265258917 2608928 CN(CC1=CC=CS1)CC(=O)NCCC2=CC=C(C=C2)F 1 2.813 2 1 -8.0012409457332 2608909 CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=CSC(=N3)C 1 2.785 5 1 -14.3600582877687 2608898 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC3=CSC(=N3)C 1 2.854 3 2 -5.51552789029142 2608891 CCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2=CC=CS2 1 3.007 2 3 -9.88446521900636 2608796 COC1=CC=CC(=C1)C2=NN(C=C2C(=O)O)CC3=CC=CC=C3 1 3.623 2 3 -1.75629987475253 2608827 CN(CC(=O)NC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)F 1 1.798 3 2 0 -3.99283120266869 2608786 COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)O 1 2.382 2 3 -3.95569490948922 2608768 CC1=CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)O 1 3.459 1 3 -6.1847049535175 2608755 C1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)SC(=N3)N 1 3.643 3 0 5.14454887163065 2608752 C1COCCN1C2=NC3=C(S2)C=C(C=C3)N 1 0.938 3 1 0 3.69943624047402 2608751 C1=CSC(=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)O 1 1.696 2 3 0 -10.7805966865207 2608748 CC1=C(C=CC(=C1)NC(=O)CN2C(=NC3=CC=CC=C3C2=O)C)Br 1 2.906 3 2 -9.85647430984127 2608718 CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)CN3C=NC=N3 1 2.752 4 1 -15.1130128283407 2608676 CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)NC3=NOC(=C3)C 1 2.045 6 3 0 -30.0548612623492 2608663 CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)NC3=C(N=CC=C3)Cl 1 2.629 6 2 0 -21.2598213059044 2608648 CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=NC4=CC=CC=C4S3 1 4.13 5 1 -12.3255286070913 2608606 CC1=C(C(=CC=C1)C)NC(=O)CN2CCNCC2 1 1.35 3 1 0 -11.5158374673972 2608590 CC1=NN=C(N1C)SCC(=O)C2=C(N(C(=O)N(C2=O)C)CC3=CC=CC=C3)N 1 0.884 6 3 0 -15.2525377302812 2608589 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4N=N3)CCCO 1 3.392 5 3 0 -22.8943392866466 2608584 C1=CC=C(C(=C1)C#N)OCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 0.824 3 5 0 -15.2103986976807 2608578 COC1=CC=CC=C1OCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 0.929 2 6 0 -16.5700796027793 2608566 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=N3 1 2.009 3 3 -21.3831943470765 2608556 COC1=C(C=C(C=C1)C(=O)NC2CCCCCC2)S(=O)(=O)NC3=CC=C(C=C3)Br 1 4.572 2 4 -11.2064346686223 2608487 C1=CC=C2C(=C1)C=CC=C2C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.556 2 3 -10.2026041368309 2608486 C1=CC(=CC=C1CCNC(=O)C2=NC=CN=C2)S(=O)(=O)N 1 -0.225 4 3 0 -15.6045038319792 2608481 CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 2.932 2 2 0.13054809725317 2608480 CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NCC2=CC=C(C=C2)Cl 1 4.213 1 2 -9.83227051513412 2608461 C1CN(CCN1C(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 1.619 3 3 0 -14.6358065017358 2608459 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3 1 3.415 3 3 -16.754388782705 2608458 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CN=C3)Br 1 2.398 3 3 -14.8660726385858 2608392 C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C(F)(F)F 1 3.376 3 3 -3.69331815634485 2608363 C1CN(CCN1C/C=C/C2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)Cl 1 3.636 3 1 -1.59647041301125 2608348 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN(C)C3=CC=CC=C3 1 3.274 6 0 3.4054893546853e-002 2608346 CC(C)CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3CN4CCOCC4 1 2.213 5 2 0 -10.9022612256839 2608330 CCNC(=O)NC(=O)CN(C)C1=CC=CC=C1 1 1.18 3 2 0 -6.87381074984284 2608328 C1CN(CCN1CC2=NC(=O)C3=C(N2)C=CS3)C4=CC=CC=C4Cl 1 3.082 4 1 -0.653801071223543 2608312 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NCC(F)(F)F 1 1.696 3 3 0 -9.79081746737952 2608301 CC1=C(SC2=NC(=NC(=C12)NCCN(C)C)CSC3=CC=CC=C3)C 1 4.243 4 0 -2.10865275818485 2608287 C1=CC(=CC=C1SCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)Cl 1 2.168 2 4 -10.7404543663638 2608255 CC(=O)C1=CC(=C(C=C1)OC2=NC=CC=N2)OC 1 1.856 2 3 0 -7.17586343444486 2608253 COC1=CC2=C(C=C1)C=CC(=C2)OC3=NC=CC=N3 1 3.024 2 2 1.92665887935725 2608184 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)C4=CC(=CC=C4)OC 1 3.511 4 2 -1.50837984212998 2608012 CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC=NC4=CC=CC=C43 1 3.805 3 1 -6.14068575276373 2608007 C1=CC=C2C(=C1)C(=NC=N2)SCC#N 1 2.199 3 0 -3.73914738675033 2608099 CC(C)CNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N2CCOCC2)Cl)Cl 1 2.363 2 4 -11.9710766069827 2608043 CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4N=C3C 1 3.819 5 1 -8.5037257055948 2608014 CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NC=NC4=CC=CC=C43 1 4.03 4 2 -8.80026698691144 2607927 COC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC=CO3)/N=C2SCC(=O)N)Cl 1 2.882 3 4 0 -17.3225017587449 2607957 COC(=O)C1=CC=C(O1)CSC2=NC=NC3=CC=CC=C32 1 3.381 2 3 -5.3843830399393 2607834 CCN(CC)C(=O)CSC1=N/C(=C/C2=CC=CO2)/C(=O)N1C3=CC(=C(C=C3)OC)Cl 1 3.991 3 4 0 -23.350150441955 2607892 COC1=C(C=C(C=C1)CNC(=O)CSC2=NC=NC3=CC=CC=C32)OC 1 3.079 3 3 -15.2936743387073 2607891 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32 1 2.222 4 3 0 -12.2747642057642 2607886 CC(C)N(C(C)C)C(=O)CSC1=N/C(=C/C2=CC=CO2)/C(=O)N1C3=CC(=C(C=C3)OC)Cl 1 4.746 3 4 0 -20.0274315490394 2607885 CC1=CC(=NO1)NC(=O)CSC2=NC=NC3=CC=CC=C32 1 2.244 4 2 -15.8872452681078 2607822 CC(C)NC(=O)CSC1=N/C(=C/C2=CC=CO2)/C(=O)N1C3=CC(=C(C=C3)OC)Cl 1 3.814 3 4 0 -26.0206091996728 2607405 COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=CS2 1 1.818 2 7 0 -19.6190668619312 2607353 COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2 1 1.858 3 8 0 -15.7442499424503 2606844 CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CC2=CC(=CC=C2)C(F)(F)F 1 3.038 1 4 -10.6870055340996 2606836 C1COC2=C(O1)C=CC(=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 2.562 1 5 -10.7453493193165 2606825 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4 1 2.643 2 4 -8.82336636031696 2606735 C1CCC(C1)NC(=O)NC(=O)CSC2=CC3=C(C=C2)OCCO3 1 2.399 2 4 -11.1822146591103 2606676 COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=CC3=C(C=C2)OCCO3 1 2.744 1 6 0 -13.4217495430624 2605165 C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4 1 3.665 4 1 -14.7475305719451 2605161 C1CN(CCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)C(=O)C5=CC=CO5 1 3.48 5 3 0 -15.8404270283467 2604917 CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NC2CCCC2)Cl 1 3.133 1 4 -10.5162307149213 2604916 CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)Cl 1 3.082 1 6 0 -13.6387459404337 2604904 CC1=C(C=CC(=C1)OCC(=O)OCC(=O)N2CCC3=CC=CC=C32)Cl 1 3.588 1 4 -12.6313578141774 2604778 CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl)Cl 1 3.03 2 4 -9.39206975437238 2604777 CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl)Cl 1 3.36 2 4 -7.09841723601025 2604523 C1CN(CC(=O)N1)S(=O)(=O)C2=C(C(=CC=C2)Cl)Cl 1 1.154 2 3 0 -17.3593463882042 2604490 C1=CC=C(C=C1)C(=O)NCCC(=O)NCCC2=CC=C(C=C2)Cl 1 2.915 2 2 -13.8684167583338 2604480 CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)NCCC3=CC=CC=N3)Cl)Cl 1 3.567 3 2 -9.24272877316945 2604436 C1=CC=C2C(=C1)C=CC=C2NC(=O)CNC3=CC=CC=C3F 1 3.388 2 1 -7.41019666960829 2604433 COC1=C(C=C(C=C1)Cl)NC(=O)CNC2=CC=CC=C2F 1 3.128 2 2 -6.74282413760731 2604430 CC1=C(C=CC=C1Cl)NCC(=O)NC2=C(C=C(C=C2)Cl)F 1 4.295 2 1 -2.31116140989126 2604427 CC1=C(C=CC=C1Cl)NC(=O)CNC2=CC=CC=C2F 1 3.631 2 1 -5.1068911288808 2604424 CC1=C(C=CC(=C1)F)NCC(=O)NC2=C(C=C(C=C2)Br)C 1 4.201 2 1 -7.10324112349334 2604398 CC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)N)[N+](=O)[O-] 1 0.811 4 4 0 -7.16497802261103 2604388 CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.154 2 5 0 -13.9515928483949 2604369 CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N 1 4.847 7 1 0 -15.8039469743623 2604353 CC1CCN(CC1)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32 1 2.904 2 3 -16.398285227279 2604351 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32 1 4.25 2 3 -11.86140607148 2604336 C1CCC(C1)(C2=CC(=CC=C2)F)C(=O)NCC3=CC=CC=C3 1 4.282 1 1 -6.66696280635683 2604334 C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4OC3=O 1 2.441 3 3 -3.03002849742064 2604327 CCC1=C(C=C(S1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C 1 4.33 2 1 -1.42449134023109 2604307 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CC=N3 1 3.093 3 1 2.727492724297 2604293 C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(S4)Br 1 4.365 2 3 -2.74802173980935 2604248 CCOC1=CC=C(C=C1)NC(=O)CNC(=O)COC2=CC=CC=C2 1 1.842 2 4 0 -11.9408985567445 2604242 C1=CC(=NC=C1C(=O)NNC2=C(C(=CC(=C2F)F)F)F)Cl 1 3.181 3 1 -3.9849370375136 2604236 CC1=NC=C(N=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C4N3CCCCC4 1 1.948 6 1 0 -12.6168180847076 2604189 CC1=C(C=CO1)C2=NN=C(N2C)SCC3=NN=C(O3)C4=CC=C(C=C4)Cl 1 3.398 5 2 0 -4.04156217524988 2604177 COCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=CC=C(C=C2)C(F)(F)F 1 4.352 1 3 -4.7271481549662 2604167 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.629 2 2 -4.2553961062806 2604163 C1CCC(CC1)(CNC(=O)C2=C(C=CC(=C2)Br)Cl)N3CCOCC3 1 3.991 2 2 -8.02734066880746 2604160 CCCN(CC(=O)NC1=C(C=C(C=C1)Cl)Cl)C(=O)/C=C/C2=C(C=CC(=C2)OC)OC 1 4.516 2 4 -8.48883320198778 2604153 CC1=CN=C(S1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 0.767 3 4 0 -19.9179105257025 2604149 CN(CC(=O)NC1=C(C=CS1)C#N)S(=O)(=O)C2=CC=C(C=C2)F 1 1.454 3 3 0 -13.7955506605275 2604144 CCCSC1=NSC(=N1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.949 3 1 -11.1503916778842 2604012 CCC1=C(C=C(S1)C(=O)NC2=C(C=C(C=C2)F)C)C 1 4.558 1 1 -6.16961887849109 2604005 C1CN(CCC1C(=O)N(CC2=CC=CO2)CC3=CC=CS3)C(=O)NC4=CC=CC=C4 1 3.127 3 3 -11.1676185507295 2603998 CC(=O)C1=CC2=C(C=C1NC(=O)CN3C=NC4=CC=CC=C4C3=O)OCO2 1 1.1 3 5 0 -15.6017528010555 2603986 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCC(CC3)C(=O)N)C 1 2.38 2 3 -0.93018317424716 2603978 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C4N3C=CC=C4 1 1.129 5 4 0 -31.6780405103573 2603963 C1=CC=C(C(=C1)OCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)F 1 1.151 2 5 0 -12.9410542582995 2603960 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3 1 2.387 3 5 0 -8.43153574775487 2603958 C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 1.194 2 5 0 -13.3545602054951 2603947 CC1=C(C=C(C=C1)OCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)C 1 1.918 2 5 0 -12.8723862946279 2603944 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)NC(=O)C3=CC=CO3 1 1.776 3 6 0 -18.1348191502788 2603934 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)C2=CC3=CC=CC=C3O2 1 3.036 2 3 -7.75437339981189 2603932 C1COC2=C(O1)C=CC(=C2)CCNC(=O)C3=CC4=CC=CC=C4O3 1 3.323 1 4 -4.68228395755795 2603904 CCC1=CC=CC(=C1NC(=O)CC2=CSC=C2)C 1 3.74 1 1 -9.59776304590359 2603902 CC1=CC(=C(N1C)C)C2=CSC(=N2)NC(=O)C3=CC4=CC=CC=C4O3 1 3.744 3 2 2.17975015937728 2603898 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=C(C=CC(=C2)Br)Cl)N 1 2.759 4 3 0 -7.34002970181964 2603885 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)COC2=CC=CC=C2F 1 3.42 2 3 -12.1588603532731 2603845 CC1=NN=C(N1N)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3 1 0.248 6 4 0 -17.3475592086281 2603842 CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C)C(C)C 1 3.34 4 2 -13.8106534684924 2603835 CC1=NN=C(N1N)SCC(=O)NC(=O)NC2CCCC2 1 0.288 6 2 0 -18.5155471758362 2603786 CC1=NN=C(N1N)SCC(=O)NC(=O)NC(C)(C)C 1 -0.183 6 2 0 -20.9871114618943 2603763 CC1=NN=C(N1N)SCC2=NC3=CC=CC=C3S2 1 1.906 5 0 0 -7.30110107625751 2603445 CC(C)OC1=CC=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCC2 1 2.637 2 5 0 -13.1497323748399 2603096 C=CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3CCCCC3 1 4.405 4 1 -19.4541201074124 2603081 C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3CCCCC3 1 4.13 4 1 -20.9442769066942 2603053 CNC(=O)NC(=O)CSC1=NN=C(N1CC=C)C2CCCCC2 1 2.327 5 2 0 -17.7558449954921 2603049 C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CS2)C3CCCCC3 1 3.87 4 1 -22.9777138440918 2602574 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC(=CC=C2)Cl 1 2.483 2 5 0 -11.7201523585206 2602215 CC1CCN(CC1)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2F 1 1.385 2 4 0 -20.3786980032926 2602162 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CNC(=O)C3=CC=CC=C3F 1 1.355 2 6 0 -18.6346647124458 2601844 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3CC3 1 1.424 5 2 0 -14.6434060294219 2601922 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3CC3 1 1.772 5 2 0 -15.4096291811299 2601926 COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3CC3 1 2.088 5 2 0 -14.6116292082285 2601930 C1CCC(CC1)NC(=O)CSC2=NN=C(N2N)C3CC3 1 1.722 5 1 0 -17.884288615196 2601938 C1CC1C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4 1 3 5 2 0 -12.4921765276971 2601875 C1CC1C2=NN=C(N2N)SCC(=O)NCC3=CC=CC=C3 1 1.447 5 1 0 -18.9203183504069 2601869 CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2N)C3CC3 1 3.325 5 1 -15.7685998061196 2601786 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4CC4)C 1 3.389 4 2 -8.63320492521669 2601782 C1CC1C2=NN=C(N2N)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.006 6 4 0 -16.0592149906127 2601751 CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4CC4 1 2.903 4 2 -11.4203878705711 2601734 C1CC1C2=NN=C(N2N)SCC(=O)NC(=O)NCC3=CC=CC=C3 1 1.227 6 2 0 -16.653473700341 2601709 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2N)C3CC3 1 0.579 6 2 0 -23.4893889319626 2601512 CC(C)CN(CC(C)C)C(=O)COC1=CC=CC=C1C(=O)N 1 2.465 2 3 -11.9888689827166 2601511 C1CC2=C(C1)C=C(C=C2)NC(=O)COC3=CC=CC=C3C(=O)N 1 2.509 2 3 -10.8075309141632 2601497 CC(=O)COC1=NC=NC2=C(C=C(C=C21)Cl)Cl 1 2.821 2 2 0.795243601210898 2601328 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NCC2=CC=C(C=C2)OC)C 1 2.533 2 6 0 -17.5381490319186 2601276 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)C 1 3.214 2 5 0 -15.3742270808227 2601268 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2F)C 1 3.695 1 4 -8.33254243925709 2601210 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)C)C 1 3.481 2 5 0 -15.7429571097074 2601191 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC2=CC=C(C=C2)C)C 1 3.976 1 4 -7.96214046122166 2601187 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC)C 1 2.516 2 7 0 -21.8400634626912 2601076 C1=CC=C(C(=C1)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F)F 1 4.004 2 1 -2.87329635019255 2600938 CCC1=CC=C(C=C1)OCC(=O)NNC(=O)CC2=CC=CS2 1 2.637 2 3 -9.97762821391679 2600788 C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=C(C=C(C=C4)Cl)Cl 1 5.322 4 1 -12.7510867243935 2600762 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2Cl)S(=O)(=O)N3CCOCC3 1 2.535 2 5 0 -18.1657437656079 2600480 CCOC1=CC=C(C=C1)NC(=O)CCNC(=O)C2=CC=CO2 1 1.65 2 4 0 -13.0710802446479 2600414 CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=NC=C4 1 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COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CC4 1 3.346 3 3 -25.4887415896076 2595313 CC(=O)NC1=CC=CC=C1OCC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 2.674 3 3 -8.82880418532323 2595307 CS(=O)(=O)N(CC(=O)N1CCC2=CC=CC=C2C1)C3=C(C=C(C=C3)Cl)F 1 2.74 2 3 -13.9679051380748 2595305 COCCNC(=O)C1=NNC2=CC=CC=C21 1 0.979 3 2 0 -17.4878729599988 2595274 C1CN(CCC1CC2=CC=CC=C2)C(=O)COC3=CC=CC=C3C(=O)N 1 2.738 2 3 -5.25829161114838 2595263 CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCC3 1 4.027 3 2 -22.0180315064044 2595258 CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CC3 1 3.114 3 2 -22.5316376865716 2595240 C1CN(CCN1C(=O)C2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.311 3 3 0 -19.3015844293342 2595238 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=N3 1 1.089 3 4 0 -20.4264276639436 2595167 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC=C(C=C3)NC(=O)CC#N 1 2.416 4 2 -18.5884068297762 2595177 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCNS(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 2.342 2 5 0 -18.4240061982945 2595220 COC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)NCC4=CC=C(C=C4)Cl 1 3.532 2 6 0 -13.7676370899328 2595192 C1=CC(=C(C(=C1NC(=O)CNC(=O)C2=NC=CN=C2)F)F)F 1 0.418 4 2 0 -14.5993507510645 2595155 CCC(=O)C1=CC=C(C=C1)OCC(=O)NCCC2=CC=CC=N2 1 2.176 2 3 -14.498386469876 2595147 CC(=O)NC1=CC=CC=C1OCC2=NN=C(O2)C3=CC=CS3 1 1.963 3 3 0 -16.6327236006451 2595130 C1CN(CC=C1C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3 1 1.599 3 3 0 -5.59175988559846 2595100 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2(CCCCC2)N3CCCCC3 1 2.925 3 3 -14.1039224762587 2595097 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3F)C 1 3.987 2 1 -8.00345154713041 2595094 C1=CC(=CC=C1NC(=O)CCSC2=CC=C(C=C2)F)N3C=NN=N3 1 2.348 5 1 -15.8006394784377 2595092 CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5)C 1 5.197 3 4 0 -26.8444574712065 2595076 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC2=CC=CC=C2F 1 3.045 1 3 -12.7872204008808 2595073 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC(=C(C=C2)OC)Cl 1 1.394 3 5 0 -14.8031481980035 2595072 C1=CC=C(C=C1)CCNC(=O)CSC2=NC=NC3=CC=CC=C32 1 3.433 3 1 -10.9704680887168 2595061 C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)CC4=NNC(=O)C5=CC=CC=C54 1 2.722 6 2 0 -17.6743313448132 2595057 CCC1=NN=C(S1)NC(=O)C2=CC3=C(S2)CCCCC3 1 3.809 3 1 -15.4974230924595 2595023 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3CCCCC3)OC 1 4.259 2 4 -17.9167064096694 2594971 C1=CC=C(C(=C1)C(=O)NCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)Br 1 1.456 3 4 0 -18.0896656436771 2594965 C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CN=C3)Br 1 2.5 2 1 -7.80856245901079 2594934 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NCC3=CC=CC=N3 1 0.87 4 2 0 -21.1019090940587 2594927 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=N3)OC 1 2.119 3 4 0 -22.0922104411204 2594907 C1CC2=C(C1)SC3=NC(=NC(=C23)NCCCN4CCOCC4)C5=CN=CC=C5 1 2.745 5 1 -4.60951424008458 2594903 COC1=CC=CC=C1OC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.94 3 2 4.09480996640386 2594890 CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC(=O)NCC3=CC=CS3)C4=CC=NC=C4 1 4.368 5 1 -16.4277951333575 2594878 CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)C3=NN=CO3 1 2.863 3 4 0 -10.6490269443284 2594865 C1CCC(CC1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CN=CC=C3 1 2.57 3 3 -13.9746008593057 2594859 C1CN(CCC1NC(=O)C2=CC(=CN=C2)Br)CC3=CC=CC=C3 1 2.33 3 1 -1.79921235427391 2594846 CCN(CC(=O)NC1=CC(=CC=C1)OC)CC(=O)NC2=C(C=C(C=C2)C)Cl 1 3.075 3 3 -3.88462132806081 2594772 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)Br 1 2.665 3 3 -7.30416703048039 2594761 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.317 3 3 -5.16790319589186 2594758 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC=CO3 1 1.312 3 4 0 -7.56279977007376 2594755 C1CN(CCN1C(=O)C2=NNC3=CC=CC=C32)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 2.808 4 3 0 -23.4309461114973 2594697 COC1=CC=CC(=C1)CNC(=O)C2=NNC3=CC=CC=C32 1 2.677 3 2 -14.9242470934146 2594659 CC1=NN=C(O1)NC(=O)C2=CC3=CC=CC=C3C=C2 1 1.699 3 2 0 -5.11334905603375 2594434 C1=COC(=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)OC(F)F 1 1.875 2 4 0 -8.50807677862552 2594428 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)C2=NC3=CC=CC=C3C=C2 1 2.7 3 2 -9.06244291040636 2594362 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)CCCSC3=NC4=CC=CC=C4N3 1 3.475 5 2 0 -7.71111229692576 2594519 CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.88 3 2 -14.5631592973764 2594513 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3CCCCC3 1 2.477 2 4 -13.4847683799794 2594459 C1CCN(CC1)CC(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3 1 3.433 2 2 -2.12559974586312 2594456 C1COCCN1C2=CC=C(C=C2)NC(=O)CNS(=O)(=O)C3=CC=CC=C3F 1 1.432 3 4 0 -13.4044679514961 2594446 CC(=O)NCCNC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=NN3 1 1.252 5 3 0 -10.4337635254566 2594293 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=CO3 1 0.647 3 5 0 -24.4834684077409 2594420 CSCCC(=O)NC1=NC(=CS1)C2=CC=CC=N2 1 1.901 3 1 0 -3.63491122360846 2594412 C1=CC=C2C(=C1)N(C(=O)O2)CCCC(=O)NC3=CN=CC=C3 1 1.601 3 3 0 -7.52990693358288 2594318 C[C@@H](C(=O)NC1=NC(=CS1)C2=CC=CC=N2)NC(=O)C3=CC=CC=C3 1 2.38 4 2 -5.37857735298586 2594257 CCN1CCC2=C(C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)OCCO4 1 2.114 3 3 -9.69225713469599 2594234 CN1C=CC=C1C(=O)NC2=NC(=CS2)C3=CC=CC=N3 1 2.427 4 1 0.279228990239939 2594230 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-] 1 1.929 4 4 0 -13.0826108553286 2594211 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=NOC(=C3)C 1 1.651 4 4 0 -25.2186793306633 2593966 C[C@@H](C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3 1 1.633 2 6 0 -18.544219535093 2593765 C[C@@H](C(=O)OCC(=O)C1=CNC2=CC=CC=C21)NC(=O)C3=CC=CC=C3 1 2.778 2 4 -12.8480087414832 2593530 CCNC(=O)CSC1=NN=C(O1)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl 1 4.418 4 2 -11.8539294811434 2593526 CCN(CC)C(=O)CSC1=NN=C(O1)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl 1 4.973 4 2 -13.8582428745795 2592907 CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)CSC3=NC=CC=N3 1 3.742 3 1 -4.11229136241287 2592906 CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(O3)C4=CC=CS4)C(C)C 1 5.459 2 3 -14.1949803233369 2592872 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CC=N3 1 1.784 4 3 0 -22.9303775408779 2592865 C1=CC=C(C(=C1)CNC(=O)CSC2=NC=CC=N2)Cl 1 2.421 3 1 -13.9275585043574 2592863 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC=CC=N3 1 1.6 4 2 0 -9.67983837331463 2592855 C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NN=C(O4)C5=CC=CS5 1 4.687 2 3 -11.2766582962582 2592841 C1=CN=C(N=C1)SCC(=O)NC(=O)NCC2=CC=CO2 1 0.719 4 3 0 -12.4505610983506 2592834 CCNC(=O)CSC1=NN=C(O1)C2=CC=CS2 1 1.574 3 2 0 -18.6600180403393 2592811 C1C2=CC(=CC(=C2OCO1)CSC3=NC=CC=N3)[N+](=O)[O-] 1 2.18 3 4 0 -7.13867494656514 2592809 CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CC=N2)F 1 2.442 3 1 -6.84805389600938 2592803 C1=CN=C(N=C1)SCC(=O)NCC2=CC=C(C=C2)F 1 1.962 3 1 0 -11.7546478218839 2592799 CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=NC=CC=N2 1 2.044 4 2 -16.9722104125037 2592797 C1CCC(CC1)NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.135 1 3 -9.475403343038 2592770 CC(C)CCNC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 1 3.858 1 3 -14.4645276318129 2592758 COC1=C(C=C(C=C1)C(=O)NN=CC2=CC=C(S2)N3CCOCC3)OC 1 2.578 3 4 0 -10.3530063063211 2592745 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=C(C=C3)F 1 4.066 1 3 -9.69648118747033 2592481 COC1=CC=C(C=C1)OCC(=O)OCC(=O)NCC2CCCCC2 1 2.752 1 5 -13.5649873067263 2592365 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)C#N 1 1.987 3 4 0 -13.7340608435412 2592290 C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)C#N 1 1.923 3 3 0 -11.5329125747119 2592243 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=CN=C(C=C2)Cl 1 1.165 3 4 0 -14.0694367164707 2592239 COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2=CN=C(C=C2)Cl 1 2.692 2 4 -12.0057944205516 2592182 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CC2)OC 1 1.202 1 5 0 -17.0496218385959 2592173 CSC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)F 1 3.368 1 1 -11.9459345326319 2592154 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)OC 1 2.138 2 6 0 -14.9674931108989 2592145 C1=CC=C2C=C(C=CC2=C1)NC(=O)COC(=O)C3=CN=C(C=C3)Cl 1 2.953 2 3 -8.80857527173702 2616578 CC1=C(C(=CC=C1)NC(=O)COC(=O)CSC2=CC=CC=C2)C 1 3.687 1 3 -8.72095673589043 2616475 CC1=CC(=C(C=C1)SCN2C(=O)C3=CC=CC=C3N=N2)C 1 4.977 3 1 -15.7703170653027 2616433 CC1=CC(=C(C=C1)SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C 1 3.83 2 2 -7.63357660655652 2616407 CCCNC(=O)NC(=O)CSC1=C(C=C(C=C1)C)C 1 3.056 2 2 -11.6786702382949 2616384 CC1=CC(=C(C=C1)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C 1 3.546 2 4 -8.5138125297981 2616380 CC1=CC(=C(C=C1)SCC(=O)NC(=O)NCCC(C)C)C 1 3.764 2 2 -13.940035767156 2616378 CCOC(=O)NC(=O)CSC1=C(C=C(C=C1)C)C 1 3.18 1 3 -7.63738358611619 2616375 CC1=CC(=C(C=C1)SCC(=O)NC(=O)NCC2=CC=CO2)C 1 2.949 2 3 -10.3069051050678 2616369 CC1=CC(=C(C=C1)SCC(=O)NC(=O)NC2CCCC2)C 1 3.586 2 2 -9.46652867576646 2616346 CC1=CC(=C(C=C1)SCC2=CC(=O)N3C=CSC3=N2)C 1 3.209 2 1 -13.481060695032 2616328 CC1=CC(=C(C=C1)SCC(=O)NC(=O)NC(C)C)C 1 2.91 2 2 -12.3217189689614 2616192 CC1=CC(=C(C=C1)C)SCC(=O)NC(=O)NCC2=CC=CC=C2 1 3.767 2 2 -9.01089043872799 2616176 CC1=CC(=C(C=C1)C)SCC(=O)NNC(=O)C2=CC=CC=C2 1 3.237 2 2 -10.2041426453747 2616165 CC1=CC(=C(C=C1)C)SCC(=O)NC2=C(N=CC=C2)Cl 1 3.703 2 1 -7.30446629544212 2616131 CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=CC4=C(C=C3)OCCO4 1 3.719 2 4 -10.4972602562774 2616128 CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=CC4=C(C=C3)OCCO4 1 3.493 1 3 -7.83767902212967 2616112 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4 1 1.886 3 4 0 -19.5546346649129 2615933 CC1=CC=C(C=C1)N2C(=NN=N2)SCC#N 1 2.017 5 0 -17.037424650141 2615834 CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.488 6 4 0 -21.7301174265631 2615796 CCOC(=O)NC(=O)CSC1=NN=NN1C2=CC=C(C=C2)C 1 2.122 5 3 0 -20.9935263871028 2615763 CC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NN=C(O3)C4=CC=CC=C4Br 1 4.11 6 1 0 -16.8326214767175 2615757 CC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC4=C(C(=C(S4)C)C)C(=O)N3 1 3.22 6 1 0 -20.874708885872 2615717 CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=NN3C4=CC=C(C=C4)C 1 4.669 4 3 0 -13.0940892898357 2615682 CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=CS3)C#N 1 2.588 6 1 0 -25.0930535175687 2615621 CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 1.935 6 2 0 -26.2931114968124 2615590 COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3)[N+](=O)[O-])OC 1 1.881 3 8 0 -21.2568129917417 2615585 CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(N=CC=C3)Cl 1 2.645 6 1 0 -20.6179519930056 2615235 C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N 1 1.978 2 5 0 -20.3590818302902 2592012 CCCNC(=O)NC(=O)CSC1=CC=CC(=C1)C(F)(F)F 1 3.026 2 2 -7.54490831382263 2591998 CCNC(=O)NC(=O)CSC1=CC=CC(=C1)C(F)(F)F 1 2.502 2 2 -4.76683385037536 2591990 C1=CC(=CC(=C1)SCC(=O)NC(=O)NCC2=CC=CO2)C(F)(F)F 1 2.919 2 3 -6.27053740712028 2591984 CNC(=O)NC(=O)CSC1=CC=CC(=C1)C(F)(F)F 1 2.153 2 2 -3.83745023267812 2591982 C1=CC(=CC(=C1)SCC(=O)NC(=O)N)C(F)(F)F 1 1.947 2 2 0 -2.65591465777212 2591961 C1CN(CCN1C(=O)CSC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3 1 3.164 2 3 -17.7212857160868 2591947 CC(C)(C)NC(=O)NC(=O)CSC1=CC=CC(=C1)C(F)(F)F 1 3.085 2 2 -7.95773887227771 2591914 C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=CC=CC=C3F 1 4.21 3 1 -17.6346582798299 2591864 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3F 1 2.306 3 2 -19.7032898960963 2591723 CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC=C2CC3=CC=CC=C3 1 4.115 1 3 -13.1205468068718 2591666 CCNC(=O)NC(=O)CSC1=CC=CC=C1F 1 1.765 2 2 0 -10.5965239923624 2591640 CC1=NC(=CS1)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5OC 1 3.844 5 2 0 -13.2274064978312 2591637 C1=CC=C(C(=C1)F)SCC(=O)NC(=O)NCC2=CC=CO2 1 2.182 2 3 -12.1002275491073 2591632 COC1=CC=CC=C1CN2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC5=CC=C(O5)C(=O)OC 1 4.241 4 5 0 -17.8380520734437 2591612 C1=CC=C(C(=C1)C2=NN=C(O2)CSC3=CC=CC=C3F)Br 1 4.401 2 1 -6.95155164161676 2591568 C1=CC=C(C(=C1)F)SCC(=O)NC2=C(C=CS2)C(=O)N 1 2.002 2 2 -12.0969241737513 2591522 CC1=C(C=C(C=C1)SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C 1 3.83 2 2 -6.2460023201857 2591492 CC(C)NC(=O)NC(=O)CSC1=CC=CC=C1F 1 2.143 2 2 -14.0176471864761 2591371 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCC2)OC 1 1.894 2 6 0 -17.2951693056523 2591316 C1CN(CCN1C(=O)CSC2=NC(=CS2)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4 1 3.063 3 3 -9.19827456989975 2591248 C1=COC(=C1)CNC(=O)NC(=O)CSC2=NC(=CS2)C3=CC=C(C=C3)F 1 3.126 3 3 -10.978421785979 2591215 CCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.64 2 4 -15.2439977362442 2591198 CCNC(=O)CSC1=NC(=CS1)C2=CC=C(C=C2)F 1 2.929 2 1 -9.69264181147228 2591184 CCOC1=CC=CC=C1NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.219 2 5 0 -23.7172524153135 2591164 CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C 1 2.238 2 5 0 -24.3068447152064 2591156 CC1=CC(=NO1)NC(=O)CSC2=NC(=CS2)C3=CC=C(C=C3)F 1 3.296 3 2 -16.4002313308195 2591142 C=CCN1C(=O)C2=C(N=C1SCN3C(=O)C4=CC=CC=C4N=N3)SC=C2C5=CC=CS5 1 5.744 5 2 0 -31.6702495124185 2590975 CCOC1=CC=CC=C1NC(=O)CC2=COC3=C2C=CC(=C3)C 1 3.771 1 3 -7.89914877989231 2614772 COC1=C(C=C(C=C1)Cl)C(=O)OCC(=O)NCC2=CC=CS2 1 2.716 1 4 -14.140356179024 2590911 CCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 3.32 3 3 -16.3176573775282 2590906 COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2)OC 1 2.077 1 7 0 -15.4956071087727 2590896 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 3.082 1 5 -12.0151729920699 2614659 COC1=C(C=C(C=C1)Cl)C(=O)OCC(=O)NC2=C(N=CC=C2)Cl 1 2.692 2 4 -8.88051999223227 2590263 CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CSC2=NN=C(S2)NC3=CC=C(C=C3)C 1 3.631 5 2 0 -21.0574720289481 2589788 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N(C)CC3=CC=CC=C3)C4=CC=CC=C4)C 1 5.08 3 2 -27.6842681003599 2589526 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(O2)Br 1 2.275 1 5 -12.6708865403921 2589518 C1=CC(=CC=C1NC(=O)CNC(=O)COC(=O)C2=CC=C(O2)Br)F 1 1.55 2 5 0 -13.7044727952651 2589399 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)O 1 2.003 3 5 0 -16.7670331221909 2589442 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C 1 3.046 4 3 0 -36.6750317461606 2589315 CCOC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)N3CCCC3 1 2.359 4 2 -16.7448201575834 2589295 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=NC=C3 1 1.11 4 3 0 -19.3227185900476 2589163 CCOC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC3=NOC(=C3)C 1 2.407 5 3 0 -24.6010664429628 2588947 COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC(=O)N)C3=CC=CC=C3 1 3.233 3 3 -3.06712292761175 2588738 C1CC2=C(C1)C=C(C=C2)NC(=O)COC3=C(C=CC(=C3)Cl)Cl 1 4.835 1 2 -7.54014117402161 2588549 CC1=CC(=NO1)NC(=O)CSC2=NN=C(S2)NC3=CC=CC=C3F 1 2.28 5 2 0 -22.5008083685698 2588338 CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)C(=O)C)OC 1 5.606 2 3 -22.8921467121952 2588034 CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl)C 1 4.428 6 2 0 -11.5448881944392 2587870 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl 1 1.757 3 4 0 -12.3164621550372 2587843 CC1CCN(CC1)C(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.502 2 4 0 -18.2528950873133 2587837 CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCC2=CCCCC2 1 3.003 2 3 -21.3137771581208 2587809 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=COCCO2 1 0.616 2 7 0 -12.344579099733 2587751 C1COC(=CO1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F 1 0.447 1 5 0 -13.5886796678218 2587685 CC1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3 1 2.64 2 5 0 -27.1438747736334 2587674 COC1=CC(=C(C=C1C(=O)OCC(=O)NCCC2=CCCCC2)OC)OC 1 3.023 1 6 0 -20.0842082909477 2587547 COC1=C(C=C(C=C1)CCNC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F)OC 1 2.084 2 4 -13.8773043654639 2587567 CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 1.997 3 3 0 -12.5963023489502 2587467 CCNC(=O)CN1C=C(C=C(C1=O)Cl)C(F)(F)F 1 0.561 2 2 0 -8.7340729068046 2587441 COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCCC2=CCCCC2 1 3.598 1 4 -12.5457616394389 2587439 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 1.541 3 3 0 -10.4760006754263 2587431 C1=CC(=CC=C1CNC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F)F 1 2.002 2 2 -9.62467358041407 2587357 CC1=CC(=NC2=NC(=NN12)SCN3C(=O)C4=CC=CC=C4N=N3)C 1 3.501 7 1 0 -22.4694796576634 2587309 CC1=CC(=NC2=NC(=NN12)SCC(=O)NC3=CC=CC=C3F)C 1 2.71 5 1 -15.3079333576773 2587266 CC1=CC(=NC2=NC(=NN12)SCC(=O)NC3=C(C(=C(C=C3)F)F)F)C 1 3.121 5 1 -14.2414468610541 2587255 CCC1=CC=C(C=C1)NC(=O)CSC2=NN3C(=CC(=NC3=N2)C)C 1 3.447 5 1 -14.2925203464427 2587228 CC1=CC(=CC(=C1)NC(=O)CSC2=NN3C(=CC(=NC3=N2)C)C)C 1 3.477 5 1 -14.8454146250673 2587226 CC1=CC(=NC2=NC(=NN12)SCC(=O)N3CCC4=CC=CC=C43)C 1 2.785 5 1 -18.2528451361824 2587182 CC1=CC(=NC2=NC(=NN12)SCC(=O)NC3=C(C=CC(=C3)OC)OC)C 1 2.472 5 3 0 -16.8542305403994 2587222 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 2.25 3 3 -8.87199219780136 2587214 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 0.784 4 3 0 -12.0177743991919 2587139 CC1=CC(=NC2=NC(=NN12)SCC(=O)N)C 1 0.722 5 1 0 -12.5811065132273 2587136 CC1=CC(=NC2=NC(=NN12)SCC3=CC=C(C=C3)C#N)C 1 3.331 5 0 -12.1076244865533 2587123 CCCN1C(=CC(=C1C)C(=O)CSC2=NN3C(=CC(=NC3=N2)C)C)C 1 3.587 5 1 -13.3895814980212 2587116 CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CC=CC=C2 1 1.351 2 3 0 -15.0583332337818 2587101 CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.869 2 3 -11.0997892642747 2586975 CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NN3C(=CC(=NC3=N2)C)C)C 1 3.662 6 1 0 -19.4401149894995 2587056 CC1=CC(=NC2=NC(=NN12)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C 1 4.39 4 2 -9.9597987342052 2587038 CC1=CC(=NC2=NC(=NN12)SCC(=O)N(C(C)C)C(C)C)C 1 2.586 5 1 -15.2860363035217 2586980 CC1=CC(=NC2=NC(=NN12)SCC(=O)C3=C(N(C(=C3)C)CCOC)C)C 1 2.584 5 2 0 -18.2059258352614 2587014 CC1=CC(=NC2=NC(=NN12)SCN3C(=O)C4=CC=CC=C4C3=O)C 1 2.532 5 2 0 -8.98193118682858 2586994 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN3C(=CC(=NC3=N2)C)C 1 3.127 5 3 0 -23.5150628357448 2586931 CC1=CC(=NC2=NC(=NN12)SCCOC3=CC=C(C=C3)OC)C 1 3.484 4 2 -7.79095574901306 2586807 CC(C)CCNC(=O)CN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 2.951 3 3 -15.7878354224409 2586799 COCCNC(=O)CN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 1.239 3 4 0 -14.9477774957611 2586793 CC1=CC(=NO1)NC(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 2.086 4 4 0 -16.4359982641236 2586610 C1=CC(=C(C=C1NC(=O)CSC2=NNC(=N2)N)[N+](=O)[O-])Cl 1 1.643 6 3 0 -9.5736788656711 2586514 CCN1C(=NN=C1SCC(=O)NCC(=O)NC2=CC=C(C=C2)F)C3=CC=CS3 1 2.612 5 2 0 -19.4672462787326 2586512 CCN1C(=NN=C1SCC(=O)C2=CC=CS2)C3=CC=CS3 1 3.919 3 1 -12.3713029796102 2586451 CC1=CC=C(S1)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.473 2 3 -7.28270866091485 2586417 CCN1C(=NN=C1SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CS4 1 2.912 5 4 0 -16.045448308336 2586397 CCN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CO2)C3=CC=CS3 1 2.315 5 3 0 -18.0757730143521 2586351 CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CS3 1 3.297 4 4 0 -19.2376993382565 2586350 CCN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CC=CS4 1 4.571 4 0 -6.09638440249014 2586240 C1=CC=C(C=C1)CN2C(=NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CO5 1 4.068 4 3 0 -9.25782047886391 2586218 C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)O 1 2.699 0 4 -8.29770889323277 2586138 CNC(=O)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CO3 1 2.226 5 3 0 -14.7869315584868 2586131 C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC(=O)N)C3=CC=CO3 1 2.02 5 3 0 -13.6053959835808 2586077 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4 1 3.162 5 3 0 -22.5444340512447 2586039 C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5 1 4.869 4 1 -21.3667501805132 2585914 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3CC3)OC 1 2.192 2 6 0 -17.2361198847451 2585719 CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.988 5 4 0 -15.051332090988 2585702 CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC(=O)NCC3=CC=CO3 1 2.391 5 3 0 -17.0816567970041 2585697 CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NCC3=CC=CS3 1 3.169 4 1 -20.0432666147045 2585671 CC1=C(/C(=C/C2=CC=CS2)/C(=O)N1CC3=CN=CC=C3)C(=O)OC 1 2.076 2 3 -10.9742163556993 2585595 CCC1=CC=C(C=C1)OCCNC(=O)C2=CC=CO2 1 3.007 1 3 -6.52639225657595 2585593 CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC3=NOC(=C3)C 1 2.561 5 2 0 -22.5943687096536 2585513 CC1=C(C=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)C)C 1 0.423 4 4 0 -22.6491865963279 2585288 CC1=CC(=CC(=C1)CN2C(=O)C(=C(C=N2)Cl)Cl)C 1 3.194 2 1 5.48844325834445 2585261 C1CCC(CC1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)Br 1 3.307 1 4 -19.3881151483294 2585250 CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CN2C(=O)C(=C(C=N2)Cl)Cl 1 1.483 4 3 0 -7.4872841164031 2585229 CC1=CC(=C(N1CC(F)(F)F)C)C(=O)CN2C(=O)C(=C(C=N2)Cl)Cl 1 2.492 3 2 -0.617806706648564 2585205 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(=C(C=N2)Cl)Cl 1 1.479 3 4 0 -4.34551577315811 2585197 C1CCC(CC1)CNC(=O)CN2C(=O)C(=C(C=N2)Cl)Cl 1 1.887 3 2 0 -4.70946935073085 2585144 C1COCCN1C(=O)CN2C(=O)C(=C(C=N2)Cl)Cl 1 -0.409 3 3 0 -3.43743304727371 2585073 CC1=CC(=C(N1CC=C)C)C(=O)CN2C(=O)C(=C(C=N2)Cl)Cl 1 2.101 3 2 -3.7366094841169 2585060 CC1=CC=C(C=C1)CNC(=O)C(=O)NC2=NC=CS2 1 1.371 3 2 0 -10.3155522391941 2585042 C1CN(CCN1C(=O)CN2C(=O)C(=C(C=N2)Cl)Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 1.396 4 4 0 -12.7452641871642 2585012 CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CN2C(=O)C(=C(C=N2)Cl)Cl 1 1.569 4 3 0 -8.90797736386247 2584998 CC1=CC(=C(O1)C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 2.713 3 4 0 -21.4790731610026 2584876 C1CCC(C1)NC(=O)CSC2=NN=C(S2)NC3=CC=CC=C3F 1 2.967 4 1 -16.4713537292053 2584870 CC(C)N1C(=O)/C(=C\C2=CN=CC=C2)/SC1=O 1 1.723 2 2 0 -1.77329459156477 2584865 C1CC1NC(=O)CSC2=NN=C(S2)NC3=CC=CC=C3F 1 2.055 4 1 -16.9849599093724 2584862 CC1=CC=CC=C1NC(=O)COC(=O)C2=C(OC(=C2)C)C 1 2.202 1 4 -13.8179041563679 2584856 CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2=C(OC(=C2)C)C 1 2.867 1 4 -10.9683470817222 2584750 C1CC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F 1 3.568 3 2 -23.7804646021177 2584707 CCN1C(=O)/C(=C/C2=C(N(C(=C2)C)C)C)/SC1=S 1 2.986 2 1 -6.60686069546405 2584561 C1CC(=O)N(C1=O)C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-] 1 2.294 4 5 0 -11.5445074694409 2584557 CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(OC(=C2)C)C 1 2.209 1 4 -15.1975344632861 2584550 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)C 1 1.456 1 5 0 -16.6057119365762 2584428 C1CCCC(CC1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 2.131 3 5 0 -11.9054452931928 2584392 CC1=CC(=C(O1)C)C(=O)OCC(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 3.052 1 4 -13.9651883300207 2584349 CCC1=CC=CC=C1NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.737 1 4 -15.5629380332837 2584323 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=C(OC(=C2)C)C)C 1 2.557 1 6 0 -14.6817591562161 2584252 COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.695 2 5 0 -20.4624221081197 2584249 C1CCC(CC1)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)Cl 1 3.679 1 4 -19.545698030315 2584241 CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2CCCCC2 1 2.533 2 3 -17.4849234963552 2584189 COC1=CC(=C(C=C1C(=O)OCC(=O)N2CCC3=CC=CC=C32)Cl)N 1 2.503 2 4 -13.2345529658716 2584153 C1CCC(CC1)NC(=O)COC(=O)C2=COCCO2 1 0.517 1 5 0 -13.4430357404076 2584074 C1COC(=CO1)C(=O)OCC(=O)NC2=CC=C(C=C2)F 1 0.441 1 5 0 -9.64435658491131 2584061 CSC1=CC=C(C=C1)CN2C(=O)C3(CCCCCCC3)NC2=O 1 4.011 2 2 1.02590158799217 2584018 C1COC(=CO1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)F 1 0.646 1 5 0 -9.52039442149861 2584010 CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)C2=COCCO2 1 1.369 1 6 0 -13.077774646345 2583924 CCN(CC)C(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)F 1 2.699 2 3 -14.9282364140595 2583892 C1CCCC2(CCC1)C(=O)N(C(=O)N2)CC(=O)N3CCC4=CC=CC=C4C3 1 2.809 3 3 -12.4634705822516 2583864 CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CSC2=NN=C(S2)NC3=CC=CC(=C3C)C 1 4.117 5 2 0 -18.1927813672064 2583862 COC1=CC=C(C=C1)OCC(=O)NC2=NC3=CC=CC=C3N2 1 2.49 3 3 -2.8297218945324 2583851 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=CC=CC=C4N3 1 3.349 4 4 0 -11.8944188538316 2583844 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NC3=NC4=CC=CC=C4N3 1 3.415 3 2 0.106628747026701 2583840 CC1=CC=CC=C1NC(=O)CN2C(=O)C3(CCCCCCC3)NC2=O 1 3.008 3 3 -9.86350406452203 2583839 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)OC(=N3)C4=CC(=CC=C4)C 1 5.42 1 5 -13.8747607207023 2583829 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=NC4=CC=CC=C4N3 1 1.962 4 4 0 -18.1191243555902 2583815 CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2)OCC 1 3.336 3 3 -8.32385441352865 2583809 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3(CCCCCCC3)NC2=O)C 1 3.494 3 3 -7.54672610316985 2583808 CC1=CC=CC=C1OCC(=O)NC2=NC3=CC=CC=C3N2 1 2.993 3 2 -2.36303485165731 2583797 CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=CSC(=N3)C)C 1 3.787 4 0 -3.85970859481303 2583790 C1CCCC2(CCC1)C(=O)N(C(=O)N2)CC(=O)N3CCOCC3 1 0.839 3 4 0 -11.1107012360767 2583786 CC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3(CCCCCCC3)NC2=O 1 2.262 3 4 0 -9.86977521165085 2583754 CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC(=O)NCC3=CC=CS3)C 1 3.656 4 1 -17.2791581893252 2583738 CCC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2 1 3.614 3 1 -2.3310128682299 2583729 C1CCCC2(CCC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)Br 1 3.27 3 3 -6.93347234304436 2583725 CC1=CC(=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N2)C 1 3.644 3 1 -2.78203711293086 2583718 COC1=CC(=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N2)OC 1 2.639 3 3 -4.87453518556633 2583702 C1CCC(C1)CC(=O)NC2=NC3=CC=CC=C3N2 1 2.923 3 1 -4.23932716975631 2583696 C1CCCC2(CCC1)C(=O)N(C(=O)N2)CC(=O)NC(=O)NCC3=CC=CO3 1 1.491 4 5 0 -11.4956765350072 2583694 COC1=CC=C(C=C1)CC(=O)NC2=NC3=CC=CC=C3N2 1 2.69 3 2 -2.91955492156378 2583657 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=CC=CC=C4N3 1 1.476 4 4 0 -18.9185804465677 2583647 C1=CC=C(C=C1)OCC(=O)NC2=NC3=CC=CC=C3N2 1 2.507 3 2 -2.92812612316991 2583633 CC1=CC=C(C=C1)SCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 4.446 3 3 -19.9499292335796 2583621 CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 2.451 2 4 -12.3490316464623 2583596 CC1=CC(=C(C=C1)C)C(=O)CN2C(=O)C3(CCCCCCC3)NC2=O 1 4.114 2 3 -5.14054140535469 2583592 CC1=CC(=C(N1CCOC)C)C(=O)CN2C(=O)C3(CCCCCCC3)NC2=O 1 2.601 3 4 0 -14.9886042472488 2583589 C1=CC=C(C=C1)CC(=O)NC2=NC3=CC=CC=C3N2 1 2.706 3 1 -3.48981661421164 2583534 C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=C(C=C3)F 1 2.877 3 1 -1.37969770698556 2583514 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=NC4=CC=CC=C4N3 1 3.266 3 2 2.96231630427319 2583506 CC(C)OC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2 1 3.381 3 2 -3.70573302159361 2583500 CC1=CC=C(C=C1)OCCCC(=O)NC2=NC3=CC=CC=C3N2 1 3.562 3 2 -4.51854972837985 2583474 CCC1=CC(=CC=C1)NC(=O)CN2C(=O)C3(CCCCCCC3)NC2=O 1 3.464 3 3 -6.44946610598549 2583467 CC1=CC(=C(C=C1)NC(=O)NC(=O)CN2C(=O)C3(CCCCCCC3)NC2=O)C 1 3.274 4 4 0 -9.05045525859372 2583450 COC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2)S(=O)(=O)N4CCCC4 1 2.233 4 4 0 -16.6198204686882 2583404 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=CC=CC=C4N3 1 2.027 5 2 0 -4.61506781387405 2583365 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=CC=CC=C4N3 1 2.753 5 2 0 -4.23618915466631 2583356 C1=CC=C2C(=C1)NC(=N2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.874 5 4 0 -12.0753274102921 2583326 C1=CC=C(C(=C1)CC(=O)NC2=NC3=CC=CC=C3N2)Cl 1 3.371 3 1 -2.92316965358789 2583317 C1=CC=C2C(=C1)C=CC=C2OCC(=O)NC3=NC4=CC=CC=C4N3 1 3.415 3 2 -2.36532523977496 2583301 CC1=CC(=C(C(=C1)C)OCC(=O)NC2=NC3=CC=CC=C3N2)C 1 3.965 3 2 -3.54001488918075 2583265 C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=C(C=C3)OC(F)F 1 3.477 3 2 -0.10063090804569 2583256 COC1=C(C=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N2)OC(F)F 1 3.46 3 3 -4.82170611160797 2583148 CC1=C(C=C(C=C1)OCCNC(=O)C2=CC=CO2)C 1 3.037 1 3 -6.47286610596257 2583105 CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=C(C=C2)NC(=O)C)C 1 1.956 3 4 0 -10.6028376173377 2583091 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 2.428 3 4 0 -14.0308467743272 2583017 CC(=O)NC1=CC=C(C=C1)NC(=O)CC2CCCC2 1 1.986 2 2 0 -9.52344374229978 2582908 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3CCCCC3 1 2.71 3 4 0 -13.6757842911662 2582756 CCOC1=CC(=CC=C1)OCCOCCN2C=NC3=CC=CC=C3C2=O 1 2.79 2 4 -6.16754384051191 2582718 CCOC1=CC=C(C=C1)OCCCCN2C=NC3=CC=CC=C3C2=O 1 3.563 2 3 -2.04749184953844 2582700 CC1=CC(=C(C=C1)OCCOCCN2CCN(CC2)C)[N+](=O)[O-] 1 2.159 3 4 0 0.226770371887331 2582587 CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3 1 2.769 2 4 -21.6349973601038 2582581 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3 1 2.197 2 5 0 -17.0141322388261 2582476 CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3F 1 2.975 2 4 -21.5347368058881 2582461 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)C 1 3.037 3 3 -10.1121158089686 2582454 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5 1 3.315 3 4 0 -9.38222118724145 2582422 CCOC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCO3)OC(F)F 1 3.52 1 5 -10.7642935110969 2582397 CCCN(CCC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCO3 1 3.244 2 5 0 -20.1574189662948 2582372 CN(C)CCCNC(=O)CCC1CCCCC1 1 2.403 2 1 -14.0904235788744 2582339 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.464 3 4 0 -8.97741038087409 2582292 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.832 2 5 0 -16.2676194042329 2581928 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN(C3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4 1 4.203 2 4 -5.8943613717026 2581925 CCC1=CC=C(C=C1)NC2=NN=C(S2)SCN3C(=O)C4=CC=CC=C4N=N3 1 4.875 6 1 0 -21.5977516453188 2581900 CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)N(C)CC(=O)NC3=CC=CC=C3CC 1 4.087 5 2 0 -20.998159026847 2581864 CC1=CC(=C(C=C1)C(C)(C)C)OCCCCN2CCCC2 1 4.942 1 1 4.93832215898931 2581812 CC1=NN=C(N1C)SCC(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2 1 2.889 4 1 -13.2937581640777 2581608 COCCCNCCCOC1=C(C=C(C=C1)Cl)Br 1 2.823 1 2 3.02541179071274 2581550 CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=C(C=CS3)C(=O)N 1 2.667 5 2 0 -17.2071658089773 2581531 CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=O)N4C=CSC4=N3 1 3.107 5 1 -18.9056016479795 2581441 COC1=CC=CC=C1CC(=O)NCCCC2=CC=CC=C2 1 3.417 1 2 -12.936495028897 2581382 C=CCC1=CC=CC=C1OCCCCN2CCCC2 1 4.063 1 1 -0.944913158317063 2581240 CCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)F)F 1 5.002 1 2 -3.92223886495801 2581222 CC1=CC(=C(C=C1)C(C)(C)C)OCCOCCN2CCCC2 1 4.169 1 2 2.04837160084685 2581205 COCCCNCCCCSC1=CC=C(C=C1)Cl 1 3.212 1 1 -1.42708568081585 2580740 COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 2.747 5 6 0 -13.9348318334505 2580712 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN(C3=CC=C(C=C3)Cl)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.702 3 5 0 -8.56583403964642 2580339 CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3 1 2.44 1 6 0 -13.829874782963 2580303 COC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3 1 2.091 1 6 0 -16.1824001696661 2580276 C1COC2=C(O1)C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)F 1 2.313 1 5 -12.0098513452806 2580271 C1C(=O)NC2=CC=CC=C2N1CC(=O)NC3=CC(=C(C=C3)F)F 1 1.845 3 2 0 -13.6761221316625 2580267 CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3)C 1 3.08 1 5 -13.2503302737976 2580246 CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3 1 2.593 1 5 -12.7217283707458 2580201 CCC1=NN=C(S1)NC(=O)CCNC(=O)C2=CC=CO2 1 0.719 4 3 0 -20.0729364596715 2580107 CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(C=CS2)C#N 1 0.83 4 3 0 -11.8258861749131 2580073 CCOC1=CC=C(C=C1)CN(C)CC(=O)NCC2=CC=C(C=C2)F 1 3.084 2 2 -8.2695689846789 2580052 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(CCC3)C=C2 1 2.788 2 3 -13.2298370530424 2580007 C1=CC=C(C=C1)SCCCC(=O)NC2=NC(=CS2)C3=CC=CC=N3 1 3.799 3 1 -1.74909969656819 2579979 CN1C(=C(C(=O)N(C1=O)C)C(=O)CN2CCC3=CC=CC=C3C2)N 1 0.535 4 3 0 -14.9684325056117 2579948 C1CN(CCN1C(=O)CC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F 1 2.591 2 5 0 -19.7291558551639 2579941 C1CN(CCN1C(=O)COC2=CC=CC=C2F)S(=O)(=O)/C=C/C3=CC=CC=C3 1 1.811 2 4 0 -9.19048958545202 2579935 CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 0.927 4 3 0 -25.5995254594547 2579926 CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2(CCCCC2)N3CCCCC3 1 3.334 2 3 -15.3228543005506 2579923 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CN(CC(=O)NC1=CC=CC=C1SC)C(=O)/C=C/C2=CC=CC=C2 1 2.89 2 2 -11.8621738421645 2579755 CCCC1(C(=O)N(C(=O)N1)CC(=O)C2=C(N(C(=C2)C)C3=CC4=C(C=C3)OCO4)C)CCC 1 3.992 3 5 0 -8.58842233015324 2579712 C1CN(CCN1C(=O)CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 2.019 2 4 -19.7618649791537 2579680 C1CCCC(CC1)NC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3 1 3.231 3 2 -8.04656055709873 2579661 CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC=CC(=C3)C4=NN=C5N4CCCCC5 1 4.619 4 2 0.289969626502949 2579606 CC1=CC(=C(C=C1)C)C(=O)N(C)CC(=O)NC2=CC=CC=C2C(F)(F)F 1 3.795 2 2 -8.71934740446506 2579543 CC1=CC(=CC(=C1)CSC2=NN=C(O2)C3=CC=C(C=C3)OC)C 1 4.752 2 2 -4.9446101964631 2579470 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)Br 1 3.553 1 3 -8.94871649218106 2579466 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)/C=C/C2=CC=CO2 1 2.304 2 3 -12.4463302508817 2579441 COC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N3CCC4=CC=CC=C4C3 1 3.12 3 3 -15.0495565069606 2579414 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC2=C(C=CC=C2Cl)F 1 3.709 1 3 -13.1230803995981 2579405 CC(=O)NCCNC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl 1 3.02 2 2 -7.774917902362 2579397 CN(CC(=O)NC1=CC=CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)OC 1 2.772 2 3 -10.0570401372904 2579387 CC1=CC=C(O1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.623 2 4 0 -15.9996521861599 2579385 COC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=CC=C3F 1 3.985 2 2 -7.09655235958174 2579383 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)CCCC4 1 3.497 2 4 -23.185159429487 2579380 CC1=CN=C(S1)NC(=O)C2CCCC2 1 1.763 2 1 0 -0.169656084441802 2579357 CC1=C(SC2=NC=NC(=C12)N(C)CC3=CC=CS3)C 1 3.768 3 0 -2.89758480472166 2579332 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC(C)C)N 1 2.395 7 3 0 -21.1515421752224 2579316 C1=CC(=CC=C1CCNC(=O)CSC2=NC3=NC=C(C=C3N2)Cl)F 1 3.308 4 1 -9.70299267355668 2579313 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CN2C(=O)C3(CCCC3)NC2=O 1 0.625 4 4 0 -12.6398769450206 2579270 COC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC(=O)NCC3=CC=CO3 1 1.801 4 5 0 -14.4742377257798 2579181 CC1=CC(=C(C=C1)C)NC2=NC(=C(S2)C(=O)NC)C 1 2.494 3 1 -6.51385549439203 2579184 C1=CC=C(C=C1)CNC(=O)CSC2=CC=CC(=C2)C(F)(F)F 1 3.957 1 1 -7.19871028742314 2579226 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N 1 2.292 2 3 -6.25925122447821 2579146 C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)NC(=O)CC#N)N3CCOCC3 1 1.759 4 3 0 -18.8037112804785 2579060 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3F)N 1 2.212 6 3 0 -10.0652678584356 2579010 C1=CC=NC(=C1)C(=O)NC2=CC(=C(C=C2)OC(F)F)Cl 1 3.362 2 2 -5.00647284739906 2578902 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=C(N=CC=C2)Cl 1 2.327 3 5 0 -16.2070083913289 2578886 CCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)SC(F)F)OC 1 5.274 1 3 -11.2443853767316 2578872 COC1=CC=C(C=C1)OCCCC(=O)NC2=NC(=CS2)C3=CC=CC=N3 1 3.224 3 3 -2.04068556413148 2578853 CC1=CC=C(S1)C(=O)NCC(=O)OCC(=O)C2=CC=CC=C2 1 2.1 1 4 -15.4325513865428 2578823 CC1=C(C=C(C=C1)CC(=O)NC2=CC(=C(C=C2)OC(F)F)Cl)C 1 5.091 1 2 -2.79827521588542 2578788 C1CN(CCC1C(=O)NCCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4F 1 3.03 3 3 -21.9929780623391 2578762 CC1=CC=C(S1)C(=O)NCC(=O)OCC2=CC=C(C=C2)C(=O)OC 1 2.283 1 5 -12.7547306538641 2578750 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC4=C(CCC4)C=C3 1 4.106 3 2 -9.54580565458508 2578590 CC1=CC(=C(N1CCC2=CC=C(C=C2)Cl)C)C(=O)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4 1 4.449 2 4 -21.7896108510485 2578526 CC1=CC(=CC(=C1)CN2C(=O)C3(CCCCCC3)NC2=O)C 1 3.985 2 2 -2.68532027507925 2578523 CSC1=CC=C(C=C1)CN2C(=O)C3(CCCCCC3)NC2=O 1 3.555 2 2 1.02590158799217 2578518 CCOC1=CC=CC=C1CN2C(=O)C3(CCCCCC3)NC2=O 1 3.345 2 3 -4.94930705718762 2578515 CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 2.274 4 4 0 -15.8265241581778 2578503 CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CN3C(=O)C4(CCCCCC4)NC3=O 1 2.991 4 4 0 -12.4500218515733 2578492 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 2.27 3 5 0 -11.7212181970868 2578489 C1CCCC(CCC1)NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 3.26 3 3 -9.89375921711699 2578480 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3CC3 1 0.979 3 3 0 -10.3532652094193 2578454 CC(C)N(C(C)C)C(=O)CN1C(=O)C2(CCCCCC2)NC1=O 1 2.148 3 3 -9.05758743504536 2578452 CCOC(=O)CCCNC(=O)CN1C(=O)C2(CCCCCC2)NC1=O 1 1.114 3 5 0 -22.2346403396848 2578429 CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 2.36 4 4 0 -16.2836797877912 2578411 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC3=CC(=CC=C3)C(F)(F)F 1 3.751 2 2 1.0051169683527 2578385 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3(CCC(CC3)C)NC2=O 1 2.066 3 5 0 -12.6384486066801 2578376 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.636 3 5 0 -14.390478569455 2578364 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)F 1 2.067 3 3 -7.50416467265777 2578362 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C=C(C=C3)C)Cl 1 3.012 3 3 -6.2453340997241 2578290 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC(=O)NC3CCCC3 1 1.467 4 4 0 -11.7178502407471 2578297 COC1=CC=CC=C1CNC(=O)C2=NNC3=CC=CC=C32 1 2.677 3 2 -17.1007625533626 2578348 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC(=C3)C#N 1 1.74 4 3 0 -10.1165049285793 2578266 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)C3=C(C=CC(=C3)C)C 1 3.453 2 3 -6.05777181494797 2578265 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC3=CC(=O)N4C=CSC4=N3 1 1.09 4 3 0 -13.8897913908171 2578261 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCCC4=CC=CC=N4 1 2.702 3 3 -24.3946895522306 2578242 CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 3.489 3 4 0 -12.2194884784752 2578236 CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N4CCCC4 1 3.466 4 3 0 -7.99860072564274 2578228 C1=CC(=CC(=C1)Cl)N2C(=C(C=N2)C(=O)N)N 1 1.101 4 1 0 0.852301424694352 2578225 C1=CC(=CC(=C1)Cl)N(CCC#N)C(=O)CCl 1 2.332 2 1 -7.61036238346369 2578209 C1COCCN1CCCNC2=NNC(=S)S2 1 1.321 4 1 0 -7.24768044645266 2578179 CNC1=NC(=S)NC2=CC=CC=C21 1 2.196 3 0 -5.59360040877055 2578119 CCN(CC1=CC(=O)N2C=CSC2=N1)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC 1 1.016 5 4 0 -15.1682694861628 2578063 CN(C)C1(CCCCC1)CNC(=O)C2=CC(=C(C=C2)OC(F)F)OC 1 3.68 2 3 -10.0223228158208 2578019 CC1=CC(=NC2=NC(=NN12)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F)C 1 2.895 6 1 0 -17.8364036347716 2577950 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 0.905 3 6 0 -26.8697334357178 2577916 CN(CC1=CC=CC=C1OC)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.042 2 2 -0.846397588867626 2577847 C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32 1 3.106 2 3 -12.3639622119733 2577826 CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 1.644 3 3 0 -10.2952462324396 2577809 CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC3=C(C=C(C=C3)F)Cl 1 2.824 3 4 0 -7.55204474900689 2577684 C=CCN1C(=NN=C1SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C5=CC=CC=C5F 1 5.05 5 1 -11.6621249620262 2577652 CN1C(=O)C2=C(N=C1SCC3=CC=C(O3)C(=O)OC)SC4=C2CCCC4 1 4.318 2 4 -24.2643825036749 2577649 CN(C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CS3 1 3.385 2 6 0 -15.8805544118627 2577595 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C 1 3.181 4 3 0 -33.6889613919032 2577565 CC1=C(C(=C(C(=S)N1)C#N)C2=CC=CO2)C(=O)N(C)C 1 1.37 3 2 0 -8.29553306888391 2577561 CC1=C(C(=C(C(=S)N1)C#N)C2=CC=CO2)C(=O)NC 1 1.164 3 2 0 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CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO 1 2.772 3 4 0 -17.4196717175838 2575290 CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CNS(=O)(=O)C3=CC(=CC=C3)Br 1 2.922 2 8 0 -16.1894730697791 2575273 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO 1 2.181 3 5 0 -21.9987186558434 2575265 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4S3)CCCO 1 3.62 3 2 -10.9739796466165 2575240 C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)N 1 2.957 3 3 -4.74741744754846 2575211 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.336 2 3 -7.29151380797642 2575187 COC1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.939 2 3 -7.93710758639546 2575166 C1=CSC(=N1)NC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 2.883 3 1 -5.4827403101207 2575150 CC1=CC(=NC2=NC(=NN12)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N(C)C)C 1 0.809 6 3 0 -15.446259543232 2575036 COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NN=C3N2C=CC=C3 1 2.493 5 2 0 -23.5369951405785 2574976 CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC4=CC=CC=C4C3 1 5.016 3 2 -21.1911813703793 2575010 CCCNC(=O)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC=CC=C3 1 3.38 4 5 0 -28.5824597172792 2574964 CNC(=O)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC=CC=C3 1 2.508 4 5 0 -24.8750016361346 2574961 C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)NCC3=CC=CO3 1 1.618 2 3 0 -18.0708563420316 2574937 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5 1 4.331 3 5 0 -18.0742667193249 2574922 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=NC4=CC=CC=C4N3 1 4.088 4 2 -9.96920220802951 2574917 C1=CC(=CC(=C1)Cl)NC(=O)COC(=O)C2=CC=NC=C2 1 1.835 2 3 0 -6.25641226820804 2574912 CN1CCCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)F 1 1.937 2 1 0 -1.8373966858326 2574885 CC1=NC(=S)C2=C(N1)N(C(=O)N(C2=O)C)CC(C)C 1 1.131 4 2 0 -12.0015118761643 2574770 CC(C)CN1C(=O)C(=O)N(C1=O)CC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 2.486 3 4 0 -10.8876211021135 2574766 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(=O)N(C2=O)CC(C)C 1 1.362 3 6 0 -15.2229930324162 2574742 CC(C)CN1C(=O)C(=O)N(C1=O)CC(=O)NCC2=CC3=C(C=C2)OCO3 1 0.933 3 6 0 -16.975022995191 2574711 CC(C)CN1C(=O)C(=O)N(C1=O)CC(=O)N2CCC(CC2)CC3=CC=CC=C3 1 2.444 3 4 0 -8.96665645639737 2574678 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5 1 4.334 3 1 -9.5994454966141 2574630 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3=CC=CS3 1 3.625 1 4 -16.4706655522099 2574619 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CC4=C(C=C3)N=CS4 1 3.621 3 1 -3.00192676764575 2574590 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3 1 3.064 2 3 -12.4471546048974 2574580 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CCC2=CC=CC=C2 1 3.662 2 2 -16.7500188538183 2574555 C1=CC=C(C(=C1)COC2=CC=CC=C2C(=O)NN=CC3=CC=CO3)Cl 1 4.31 2 3 -5.65155773920578 2574547 CCN1C2=C(C=C(C=C2)NC(=O)CN3CCCC3)C4=CC=CC=C41 1 3.465 3 1 -1.62693123512376 2574530 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CCC3=CC=C(C=C3)OC 1 2.489 2 5 0 -19.720142213436 2574487 CC1=CC(=CC=C1)NC(=O)CCNC(=O)C2=CC=CC=C2 1 2.408 2 2 -11.0805246994301 2574483 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN(CC=C)CC=C 1 2.835 6 0 -7.29521957117884 2574472 CNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3 1 1.901 5 1 0 -15.0667271648066 2574455 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3 1 2.232 3 3 -5.4547142554606 2574450 CCC1=C(C(=NO1)C)C(=O)NC2=C(C=CC(=C2)C)OC 1 2.633 2 3 -10.5437960995573 2574444 CC(C)CN1C(=O)C(=O)N(C1=O)CC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC 1 2.639 3 6 0 -23.5084978261251 2574433 CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=NC=CS3)C 1 2.567 3 1 -3.16906436261918 2574426 C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)NCC3=CC=CC=C3Cl 1 5.716 1 1 -12.1693760598955 2574405 CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=NOC(=C3)C 1 2.057 4 3 0 -13.6047488100812 2574400 COC1=C(C(=CC(=C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)OC 1 3.363 2 3 -3.34889528175091 2574382 CC1=CC(=CC=C1)NC(=O)CN2CCSC3=CC=CC=C32 1 3.475 2 1 -5.98169421801844 2574381 CCOC(=O)C1=C(NC(=C1C)C(=O)CN2C(=O)C(=O)N(C2=O)CC(C)C)C 1 1.998 3 6 0 -14.0175304888286 2574379 CC1=CC(=C(C=C1)NC(=O)CNC(C2=CC=CC=C2)C3=CC=CC=C3)F 1 4.308 2 1 -6.57291865475591 2574351 C1=CC=C(C=C1)C2=CSC(=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.846 3 3 -10.556523538903 2574337 CCN(CC(=O)NC(C)C)C(=O)CC1=CC(=C(C=C1)C)C 1 2.386 2 2 -17.131605982348 2574326 C1CN(CCN1C(=O)CSC2=NC(=CS2)C3=CC=CC=C3)C(=O)C4=CC=CO4 1 2.858 3 3 -10.482062238205 2574284 COC(=O)C1=CC=C(O1)CSC2=NC(=CS2)C3=CC=CC=C3 1 4.228 1 3 -6.46572886515718 2574276 C1=CC=C(C=C1)C2=CSC(=N2)SCC(=O)NC(=O)NCC3=CC=CO3 1 2.921 3 3 -12.2622094542842 2574266 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCC2=CC=CC=N2 1 1.748 3 3 0 -18.7050463056542 2574261 C1CN(CCC1C(=O)NCCC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.187 3 3 -19.5611956564897 2574254 CCNC(=O)CSC1=NC(=CS1)C2=CC=CC=C2 1 2.724 2 1 -10.8790352532527 2574247 CC(C)NC(=O)CSC1=NC(=CS1)C2=CC=CC=C2 1 3.102 2 1 -15.5538074044066 2574238 CC(C)CCNC(=O)CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2 1 1.441 2 5 0 -27.6514985188933 2574221 CC1=C(C(=CC=C1)C(C)C)NC(=O)CN(C)CC2=CC(=CC=C2)F 1 4.425 2 1 -3.58263108233963 2574206 CN1C(=O)C=CC(=N1)C(=O)NC2CCCCCC2 1 1.648 3 2 0 -8.81883816732901 2574204 CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.273 3 4 0 -8.59224909325715 2574198 CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC(=CC=C2)Br 1 1.913 3 3 0 -5.17545837508719 2574187 CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NOC=C3 1 3.361 3 2 -14.4173682090483 2574158 CC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=CS4 1 4.906 3 0 2.53394484833569 2574144 CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 0.821 5 6 0 -20.0215623046288 2574102 CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.476 3 2 0 -15.9050902011678 2574096 COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.682 5 3 0 -15.3313030803715 2574091 CCOC1=C(C=CC=N1)C(=O)NCC2=CC=CC=C2Cl 1 3.006 2 2 -13.2824171680057 2574060 CCN1C2=C(C=C(C=C2)C(=O)NCC3CCCCC3)NC(=O)C1=O 1 2.002 3 3 -13.6221569972335 2573987 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC3=NC=CN=C3C=C2 1 2.283 3 3 -11.0005848887863 2573937 COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C2=CC=C(O2)Br 1 2.14 1 6 0 -11.3753188495515 2573790 COC1=CC=CC=C1N2CCN(CC2)C3=NC=CN=C3 1 1.223 4 1 0 2.78542299790136 2573787 C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=CS4 1 4.42 3 0 1.55071694654369 2573775 CC1=CC(=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2)C 1 3.441 4 2 -21.4632138634841 2573758 C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC=C(O2)Br)F 1 2.497 1 4 -11.6170862544178 2573707 CN(C1CCCCC1)C(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.192 2 4 -15.6429234344435 2573701 C1CCC(=CC1)CCNC(=O)COC2=NC=NC3=C(C=C(C=C32)Cl)Cl 1 4.627 3 2 -7.41949082635604 2573666 CN(CC1=CC=CC=C1F)C2=NC(=NC3=CC=CC=C32)C4=CC=CS4 1 4.831 3 0 2.72303555192964 2573636 CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)NCC(C)C 1 1.809 2 5 0 -18.7147741327466 2573575 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.676 2 4 -16.2104262444273 2573572 CCOC1=CC=C(C=C1)S(=O)(=O)NCCCN2CCCC2=O 1 0.789 2 4 0 -19.8244631784349 2573564 CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.898 2 4 -13.6100452399702 2573541 C1CC(=O)N(C1)CCCNS(=O)(=O)C2=CC=CC(=C2)F 1 0.662 2 3 0 -18.0994889229335 2573509 CC1=CC=C(C=C1)SCC(=O)C2=CC=CN2 1 3.498 1 1 0.397727854250008 2573483 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.444 4 3 0 -13.7877675517532 2573452 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)N 1 1.193 3 3 0 -8.11502933625001 2573408 C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5 1 4.672 4 0 6.46083283442309 2573338 C1=CC=C(C=C1)C(C2=CC=CC=C2)NCC(=O)NC3=CC=C(C=C3)C(=O)N 1 2.618 3 2 -10.8892929767831 2573331 C1CCCN(CCC1)CC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 4.114 2 1 -4.68286362856338 2573256 COC1=CC=CC=C1NC(=O)CSC2=NN=CN2C3=CC=CC=C3 1 2.679 4 2 -15.2171222944753 2573231 COC1=CC(=C(C=C1)Br)C(=O)NCC2(CCCCC2)N3CCCCC3 1 4.54 2 2 -8.35661596673783 2573208 C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=C(C=CC=C3F)F 1 3.107 4 1 -11.6786931817445 2573206 CC1=C(N=C(S1)NC(=O)CCNC(=O)C2=CC=CO2)C3=CC=C(C=C3)OC 1 2.391 3 4 0 -12.4189033792652 2573186 CC1=NC(=CS1)CC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 2.738 3 1 -2.34171102732526 2573169 C1=CC=C(C(=C1)CC(=O)NCC(=O)NC2=CC=CC=C2Br)F 1 2.663 2 2 -15.2459420174463 2573158 CCNC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)F)OC 1 2.195 2 4 -15.3788815427902 2573157 CCNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O 1 2.063 1 4 -6.43764450064281 2573156 CC1=CC=C(C=C1)NC2=NC(=CS2)CSC3=NN=C(N3C4=CC=CC=C4F)C5=CN=CC=C5 1 5.234 6 0 -2.06524237305166 2573129 CSC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.123 3 3 -23.623089330004 2573117 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=C(S3)CCCC4 1 1.336 4 4 0 -26.6241871955643 2573092 C1=CC(=CC=C1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])F 1 2.11 3 4 0 -12.9002690182861 2573090 CC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 2.39 3 4 0 -13.6121460437514 2573087 CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C 1 2.877 3 4 0 -13.9998987626131 2573081 C1=CC=C(C=C1)C2=C(SC(=N2)NCC3=CC=CO3)CC(=O)O 1 2.831 2 3 -1.63951203625622 2573045 C1=CC=C(C(=C1)NC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC(F)F 1 2.081 3 7 0 -18.8288198716194 2573043 CC1=C(C2=CC=CC=C2N1)C(=O)CN3C(=O)C(=O)N(C3=O)C4CCCC4 1 2.426 3 4 0 -6.29357939044843 2572998 COCCNC(=O)COC1=NC=NC2=C1C=C(C=C2)Br 1 1.588 3 3 0 -7.42276963911316 2572996 CC(C)(C)OC(=O)CN1C2=CC=CC=C2N=CC1=O 1 1.599 2 3 0 -7.69270865427869 2572988 C1CCN(CC1)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=CS3 1 3.848 2 2 -0.963711826680204 2572977 CC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)NC(=O)C)COC 1 1.114 2 5 0 -11.7208136906525 2572964 C1=CC=C(C=C1)N2C=NN=C2SCC3=NN=C(O3)C4=CC=CC=C4Br 1 3.884 5 1 -8.6166867674094 2572948 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC3=CC=CC=C3 1 2.557 1 5 -21.5294976585285 2572944 CC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.882 2 4 -25.4952043632434 2572931 CC(C)(C)NC(=O)CSC1=NN=CN1C2=CC=CC=C2 1 2.051 4 1 -17.1063883654141 2572923 CC(C)NC(=O)CSC1=NN=CN1C2=CC=CC=C2 1 1.845 4 1 0 -18.6676923763811 2572920 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=CN2C3=CC=CC=C3 1 3.366 3 2 -12.3204940419278 2572918 C1=CC=C(C=C1)OC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42 1 5.406 1 2 -3.7279534828941 2572915 CC(=O)C1=CC=C(C=C1)OC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42 1 5.146 1 3 -6.78598900470956 2572862 CC1=CC(=NO1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3 1 1.835 5 2 0 -20.7005097445745 2572860 CCOC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3 1 2.459 4 4 0 -16.8317858421579 2572850 CC1=C(C(=NO1)C)CSCC(=O)OCC(=O)C2=CC(=C(C=C2)OC)OC 1 2.191 1 6 0 -25.5148532070333 2572849 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3)OC 1 2.663 4 3 0 -16.0856728540887 2572847 C1=CC=C(C=C1)N2C=NN=C2SCC3=NC4=CC=CC=C4S3 1 3.92 4 0 -3.46772458488439 2572841 CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)NC2CCCCC2)Cl)CC3=CC=CC=C3Cl 1 4.022 4 4 0 -15.6284022279375 2572814 CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CN3C 1 3.014 6 2 0 -6.074724548805 2572791 C1CN(CC(=O)N1)CC(=O)NC(=O)NCC2=CC=CC=C2 1 -0.379 4 3 0 -19.5010582538518 2572787 CCNC1=C2C3=C(CCC3)SC2=NC(=N1)CN4CCOCC4 1 2.385 4 1 -9.37113847568267 2572779 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43 1 2.929 4 2 -10.4033712000117 2572768 CC1=C(C(=NO1)C)CSCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N 1 1.419 4 4 0 -22.6017371805554 2572756 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCCC2=CNC3=CC=CC=C32 1 2.691 3 3 -16.0033579386437 2572738 COC1=C(C=CC(=C1)C#N)OCC(=O)C2=CC3=C(C=C2)OCCO3 1 2.717 1 5 -13.3684312099345 2572735 CC1=CC(=NO1)C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32 1 0.362 3 5 0 -20.7074897117259 2572733 CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC3=CC=CC=C3C2)C 1 2.934 2 2 -14.5228362756137 2572725 CC1=CC(=NO1)C(=O)OCC(=O)C2=CC=C(S2)Br 1 2.49 1 4 -13.0851078698944 2572677 C1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=CC=C3 1 3.208 2 2 -9.74626906321466 2572661 CCOC1=C(C=CC=N1)C(=O)NCCC2=CNC3=CC=CC=C32 1 2.957 3 2 -14.6544495440605 2572657 C1=CC=C2C(=C1)N=C(S2)CCC(=O)NC3=CC=C(C=C3)C(=O)N 1 2.177 3 2 -9.7861741395824 2572648 C1COCCN1C2=CC=CC=C2NC(=O)CN3C4=CC=CC=C4OC3=O 1 2.032 3 4 0 -7.78561452643922 2572639 CC1=CC(=C(C=C1)OC)NC(=O)CCNC(=O)C2=CC=CO2 1 1.787 2 4 0 -14.2881275639827 2572613 C1=CC=C(C(=C1)NC(=O)C2=C(C=CC=C2Cl)F)Br 1 4.233 1 1 -6.90621651667147 2572599 CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 1.177 3 4 0 -10.0619794023404 2572583 CC1=NN=C(N1CC=C)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.21 5 3 0 -33.0685083110563 2572574 C1=CC=C(C=C1)C2=CN=C(O2)CSC3=NN=C4N3C=CC=C4 1 3.172 4 1 -5.6068008153202 2572571 C1=CC=C(C(=C1)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)F 1 1.567 2 3 0 -17.1802974805199 2572553 CC(=O)NCC1=CC=C(O1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C 1 2.709 3 4 0 -24.0918274835557 2572547 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC3=C(C=C2)OCO3)OCC 1 2.107 2 6 0 -20.0109453285214 2572543 COC1=CC(=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)[N+](=O)[O-] 1 3.834 4 4 0 4.19810316921411 2572520 C1=CC(=CC=C1C2=NN=CO2)OC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-] 1 1.585 4 5 0 -3.45953437443922 2572518 CC1=C(C2=CC=CC=C2N1)C(=O)CN3C(=O)C(=O)N(C3=O)CC4=CC=CO4 1 1.79 3 5 0 -5.90168183224889 2572463 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.806 2 4 -15.7607478575491 2572434 CC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Cl)F 1 1.033 2 3 0 -12.7004120866334 2572432 C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4F 1 2.696 2 3 -20.0926628787584 2572409 C1CCC(CC1)(C#N)NC(=O)COC2=CC3=C(C=C2)OC4=CC=CC=C43 1 4.035 2 3 -6.49401443077629 2572390 C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC3=NC=NC4=C3C=CC(=C4)[N+](=O)[O-] 1 4.559 4 4 0 -7.62195851488062 2572387 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 2.3 3 5 0 -11.9487758975097 2572379 CSCC1=C(OC2=CC=CC=C21)C(=O)NCCC3=CC=CC=N3 1 3.077 2 2 -4.92442451446713 2572376 C1CC(=O)N(C1)C(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-] 1 1.218 2 5 0 -11.2018063576236 2572372 C1=CC=NC(=C1)CCNC(=O)COC2=CC=C(C=C2)Cl 1 2.434 2 2 -8.38319197751067 2572367 CN(CC(=O)NCC1=CC=C(C=C1)OC)CC(=O)NC2=CC=CC=C2Cl 1 2.247 3 3 -11.3400287861533 2572338 CC1=NN(C(=C1C(=O)NCCC2=CC=CC=C2)Cl)CC3=CC=CC=C3Cl 1 4.582 3 1 -11.2972048826504 2572325 C1CCC2=C(CC1)SC(=C2)C(=O)NC3=NC=CS3 1 3.404 2 1 -9.12488093651469 2572183 CSC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.868 2 3 0 -18.3282075919371 2572164 CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC(=O)N4C=CSC4=N3)C 1 2.786 4 1 -3.36392474230948 2572136 CC1=C(C(=NN1CC2=CC=CC=C2)C)C=NNC(=O)CNC3=CC=CC(=C3)C(F)(F)F 1 3.947 5 1 -7.37782123582737 2572085 CC1=CC=C(C=C1)OCCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.952 1 4 -8.5700227826901 2572041 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 1.981 4 3 0 -13.2467049389107 2572037 CSC1=C(C=CC=N1)C(=O)NCC2CCCCC2 1 3.157 2 1 -13.2353444955714 2572033 CC1=CC(=CC=C1)CSCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 2.213 2 3 -17.9889458891479 2572028 CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.475 3 2 7.01249928649778 2572022 CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=CO2)F 1 2.009 2 3 -10.1484835578055 2572012 C1CCC(CC1)C(=O)NCC(=O)NC2=CC(=C(C=C2)F)Cl 1 3.006 2 2 -6.68333925363272 2571989 CC1=CC=C(S1)C(=O)NCCC2=CNC3=CC=CC=C32 1 3.335 2 1 -9.52743614747597 2571974 CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=CC=C2F 1 1.919 3 4 0 -25.7525267522667 2571961 C1=COC(=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 3.437 2 4 -9.20048823624951 2571956 C1CC1(C2=CC=C(C=C2)Cl)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 2.533 2 3 -11.8670915087594 2571939 CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)NC(=O)C 1 1.014 3 2 0 -8.89704452996989 2571924 C1CC1NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.046 1 1 -3.41054648235339 2571906 CC(C)(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 2.5 2 3 -16.1686223661873 2571875 CC1=CC=CC(=C1)C(=O)NCCC(=O)NCC2=CC=CC=C2Cl 1 3.08 2 2 -17.2593719697656 2571845 CC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C32)NC(=O)C4=CC=CO4 1 3.561 2 3 -15.3685952067709 2571840 CC(C)[C@@H](C(=O)N1CCC2=CC=CC=C21)NC(=O)C3=CC=CC=C3 1 3.282 2 2 -22.4711847644075 2571814 COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CS3 1 3.074 2 4 -13.5557881776796 2571798 CN(CC(=O)NCC1=CC=C(C=C1)OC)CC(=O)NC2=CC(=CC=C2)F 1 1.788 3 3 0 -9.549687391949 2571790 CC1=C(SC2=NC(=NC(=C12)NCCOC)CSC3=CC=CC=C3)C 1 3.974 3 1 -5.12688006551293 2571788 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5 1 5.205 4 1 5.50316749879994 2571767 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5 1 4.609 3 4 0 -8.41198533011763 2571746 CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CO4 1 3.048 2 5 0 -11.6894680924559 2571744 COC1=CC(=CC(=C1)NC(=O)CCCC2=CNC3=CC=CC=C32)OC 1 3.822 2 3 -12.1934206397119 2571742 C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)N 1 3.526 2 3 -5.95243587756745 2571741 CC1=C(SC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.054 2 3 -19.955727847869 2571709 C1=CC(=CC(=C1)Br)OC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-] 1 3.79 2 3 3.48017877604597 2571695 C1=CC=C(C=C1)C[C@@H](C2=NC3=CC=CC=C3N2)NC(=O)COC4=CC(=CC=C4)F 1 4.411 3 2 -1.21957902124381 2571663 CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C4=CC=C(C=C4)O)C 1 2.64 4 2 -0.735225241417792 2571647 C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C2=CC(=CC(=C2)F)F 1 2.455 2 3 -8.06229116062821 2571646 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=CC4=C(C=C3)OCCO4 1 3.052 2 3 -5.59273582334629 2571643 C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NNC(=O)C3=CC=C(C=C3)Br 1 1.769 4 3 0 -12.309552575092 2571625 CC1=CC(=CC=C1)NC(=O)CCNC(=O)C2=CC=CO2 1 1.804 2 3 0 -10.1016395569914 2571621 CC1=C(C(=NO1)C)COC(=O)C2=CSC3=C2CCCC3 1 3.196 1 3 -12.7674320823206 2571615 CC1=CC(=NO1)NC(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3Cl)Cl 1 3.099 4 4 0 -21.2296921567017 2571604 CCNC(=O)COC(=O)CCNC(=O)C1=CC=C(C=C1)Cl 1 1.066 2 4 0 -15.3156093890082 2571594 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=C(ON=C3C)C)C 1 1.389 3 6 0 -23.9059191838945 2571537 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4 1 4.343 4 2 -3.87841929059867 2571528 CC1=CC(=NO1)NC(=O)COC(=O)CSCC2=CC(=C(C=C2)Cl)Cl 1 3.189 2 4 -20.6739044512833 2571527 CC1=CC(=C(C=C1)C)C(=O)COC2=CC=C(C=C2)NC(=O)C 1 3.162 1 3 -4.91399400574907 2571523 C1=CC=C(C(=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=C(C=CC=C2Cl)Cl)F 1 3.486 1 5 -13.0268216436165 2571511 CCN(CC1=CC(=O)OC2=C1C=CC(=C2C)C)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 3.677 2 5 0 -9.34781166378971 2571500 CC1=C(NC(=C1C(=O)C)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.916 3 4 0 -20.7690056414533 2571494 CCN(CC(=O)NC1=CC=C(C=C1)C(=O)C)CC(=O)NC2=CC=CC=C2C(F)(F)F 1 2.623 3 3 -10.235398405143 2571484 C1CCC(CC1)(CNC(=O)CC2=COC3=CC4=C(CCC4)C=C32)N5CCCCC5 1 5.203 2 2 -13.4351691843201 2571481 CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)C 1 3.683 3 3 -16.1408925037404 2571477 CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C=NN=N2)OCC 1 0.148 5 5 0 -27.4930387080666 2571465 C[C@@H](C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 1.119 3 9 0 -17.6592620954314 2571463 CC1=C(SC2=C1C(=NC(=N2)C)SCC3=CC=C(O3)C(=O)OC)C 1 3.692 2 3 -12.0165642288802 2571427 COC(=O)C1=CC=C(O1)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2 1 4.201 2 4 -14.653869267775 2571426 CCC1=NN=C(S1)NC(=O)CCN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC=C3 1 3.296 4 3 0 -20.1957677425837 2571413 CC(C)CN1C(=NN=C1SCC(=O)C2=CC=C(S2)Cl)C3=CC=CO3 1 4.663 3 2 -6.85429338792632 2571410 C1OC2=C(O1)C=C(C=C2)NC(=O)CCCC3=CC=CS3 1 2.862 1 3 -13.500586234409 2571370 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N3CCC4=CC=CC=C43 1 2.677 2 5 0 -23.8005628184175 2571368 COC1=CC2=CC=CC=C2C=C1C(=O)NC3CCCCC3 1 3.788 1 2 -6.12461899527492 2571360 C1=CC=C(C=C1)CNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.823 3 4 0 -18.8854018791522 2571340 CN1C(=NN=C1SCC2=CC(=O)N3C=CSC3=N2)CC4=CC=CC=C4 1 2.308 5 1 -20.3780650953567 2571338 CC1=C(N=C(S1)NC(=O)CN2C3=CC=CC=C3OC2=O)C4=CC=C(C=C4)OC 1 3.255 3 4 0 -5.22914274840186 2571326 CC(C)[C@@H](C(=O)NC1=NC=CS1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.803 4 5 0 -33.7805898045181 2571316 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.926 2 2 -0.542022190092975 2571309 CC1=C(SC2=NC=NC(=C12)NCC(C)(C)N3CCOCC3)C 1 2.5 4 1 -5.25957963410923 2571299 CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=CC=CC(=C2)C#N 1 2.551 3 3 -19.8596687598387 2571291 CCOC1=C(C=CC(=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)F)O 1 2.573 1 6 0 -9.98347696869613 2571288 CCOC(=O)CC1=CSC(=N1)SCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N 1 1.785 4 5 0 -23.2551579453294 2571264 CC1=CC=C(N1C)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 1.261 3 3 0 -14.5740131281804 2571257 COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.175 5 5 0 -22.7844746861722 2571195 CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(O3)C4=CC=CO4 1 2.074 6 5 0 -16.8602793725248 2571193 CC1=CC(=C(C=C1C(=O)CSC2=NC(=O)C(=NN2)C)C)C 1 3.266 3 2 -8.96517691526678 2571187 CCOC1=CC=C(C=C1)CN(C)C(=S)NCC2=CC=C(C=C2)OC 1 4.676 2 2 -7.64908708943055 2571185 COC(=O)C1=C(SC(=C1COC(=O)CNS(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)OC)N 1 0.952 3 8 0 -14.0979164763275 2571179 C1=CC(=CC=C1N2C(=C(C(=N2)CC#N)C#N)N)Cl 1 2.319 5 0 -0.417914474389096 2571172 CCC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC(=O)C2=CC=C(C=C2)Cl)CC 1 1.768 3 6 0 -10.1017692212248 2571168 COC1=C(C=C(C=C1)C(=O)COC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32)OC 1 1.798 2 7 0 -19.9861111838756 2571124 CC1=C(C=C(C=C1)N2C(=C(C(=N2)CC#N)C#N)N)Cl 1 2.806 5 0 -2.15851306026619 2571112 CC1=CC=C(C=C1)N2C(=C(C(=N2)CC#N)C#N)N 1 2.141 5 0 -2.23991316497591 2571083 CCOC(=O)CC1=CSC(=N1)SCC2=NC(=O)C3=CC=CC=C3N2 1 2.551 3 3 -16.5049043738314 2571080 CCOC(=O)CC1=CSC(=N1)SCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2 1 3.265 3 3 -25.5882106344398 2571078 CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3 1 2.97 2 4 -19.6497784626351 2571071 C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)COC3=CC(=C(C=C3Cl)Cl)Cl 1 4.008 2 5 0 -7.57654758101686 2571061 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 2.54 3 5 0 -12.1786838290986 2571059 C1CCC(C1)NC(=O)NC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl 1 4.048 2 3 -8.6046976440033 2571054 CC1=CC(=C(N1CCOC)C)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.793 4 6 0 -25.4363735504652 2571013 CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N 1 3.255 4 3 0 -22.3937403014348 2571006 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)C3=C(N(C(=O)N(C3=O)C)C)N)OC 1 1.577 4 6 0 -21.0121881818122 2571003 CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 0.484 3 7 0 -21.3857316632909 2570994 CC(C)[C@@H](C(=O)OCC1=CC(=O)N2C3=CC=CC=C3SC2=N1)NC(=O)CC4=CC=CC=C4 1 4.074 3 4 0 -20.821288055991 2570993 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2569158 CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)C3=NOC(=C3)C)C 1 3.509 4 3 0 -18.1667784080902 2569157 CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC3=C(C=C2)OCO3)C 1 2.603 2 5 0 -10.3694894458463 2569156 CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)C3CC3)C 1 3.284 3 2 -15.5071971739425 2569144 CCC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3 1 3.297 3 3 -8.743303023123 2569129 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(O3)C(=O)OC 1 2.883 1 7 0 -22.8506493917418 2569117 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)C2=C(C3=CC=CC=C3O2)C 1 3.522 2 3 -5.93215995803805 2569114 CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)CCC)C 1 3.667 3 2 -15.4566699734676 2569108 CCCC1=CC(=O)N=C(N1)SCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C 1 5.241 2 3 -13.902113598117 2569096 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl 1 3.832 5 2 0 -10.1446308718424 2569075 CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)CCOC)C 1 2.663 3 3 -20.7053608037657 2569059 CCCC1=CC(=O)N=C(N1)SCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)C 1 2.336 4 3 0 -21.8200467608229 2569057 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=NOC(=C2)C 1 1.723 4 3 0 -25.2537566892866 2569056 CCNC(=O)COC(=O)/C=C/C1=C(N(N=C1C)CC2=CC(=CC=C2)OC)Cl 1 2.52 3 4 0 -10.7844111594729 2569043 C1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=CN=CC=C3 1 3.589 2 1 -6.36520910626967 2569039 CC1=CC=C(C=C1)C2=C(N=C(S2)C3=CC=CC=C3)CC(=O)NC4=CC=CC=C4F 1 5.96 2 1 1.77011437603672 2569016 CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C2=C(ON=C2C)C 1 1.695 2 6 0 -17.3092905292685 2569006 CC1=C(C=CO1)C2=NN=C(N2N)SCC(=O)N(C)CCC#N 1 0.204 6 2 0 -19.0697317444536 2569005 C1=CC=C(C=C1)CC(=O)NCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 0.742 3 4 0 -19.2136830359597 2568995 COCCNC(=O)NC(=O)COC(=O)CC1=CC2=C(C=C1)OCCO2 1 0.214 2 7 0 -18.1839133805894 2568989 CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)CC2=CC3=C(C=C2)OCCO3 1 2.634 1 7 0 -15.8595592029104 2568985 COC1=CC=C(C=C1)OCCOC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 2.188 4 4 0 -18.7024847332135 2568959 CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C 1 2.731 6 2 0 -26.3092572288004 2568957 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC=C(O3)Br 1 1.88 3 4 0 -8.87600975452242 2568935 C1CC(CCC1NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])O 1 2.758 2 5 0 -3.30298072512446 2568934 CC1=C(C(=NO1)C)C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC 1 1.193 2 7 0 -9.60119707621921 2568921 CCN1C2=C(C=C(C=C2)C(=O)NC3CC3)NC(=O)C1=O 1 0.303 3 3 0 -13.0784555708324 2568912 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)CC3=CC=CC=C3 1 1.951 3 3 0 -9.81087660881607 2568898 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=CS2)N 1 0.594 5 3 0 -17.6809008851163 2568857 CCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)OCC 1 3.262 2 2 -16.8922179607952 2568850 CC1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C 1 3.046 1 5 -19.8513671820914 2568843 CC1=CC(=CC(=C1)C(=O)NCC(=O)NCCC2=CNC3=CC=CC=C32)C 1 3.268 3 2 -16.7193350273198 2568839 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC(=O)C)Cl)CC2=C(C=CC=C2Cl)Cl 1 3.3 3 4 0 -9.15961465466196 2568809 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CN=CC=C2 1 0.581 3 3 0 -10.212417663878 2568796 CC(=O)C1=C(C=CC(=C1)Cl)OCC(=O)NC2CCCC2 1 2.679 1 3 -9.03979887670417 2568788 CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(ON=C3C)C 1 3.233 2 3 -5.71530621369785 2568778 C1CN(CCN1C2=CC=CC=C2)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)F 1 5.166 4 0 5.90361507929499 2568774 CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 2.268 3 4 0 -15.4131163895453 2568767 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)OCCO3)O 1 2.449 2 5 0 -14.0621675736178 2568760 C1=CC(=CC(=C1)C(F)(F)F)COC(=O)C2=CC=CNC2=O 1 2.017 1 3 -3.87445662128763 2568758 CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC3=C(ON=C3C)C 1 3.422 2 4 -18.1279325548655 2568753 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CSC)C 1 1.979 1 5 0 -15.9434645424775 2568751 CC1=C(C(=NO1)C)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 2.701 2 4 -11.7037200818497 2568750 CCC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC2=CC=C(C=C2)C(F)(F)F)CC 1 2.174 3 5 0 -6.69961516340164 2568748 CCOC1=C(C(=CC(=C1)C(=O)OCC2=CC=C(O2)C(=O)OC)Br)OC 1 3.661 0 7 0 -8.9889387361726 2568741 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=N2 1 0.587 3 4 0 -13.3890913633083 2568740 CCNC(=O)COC(=O)C1=CSC2=C1CCCC2 1 2.139 1 3 -12.9872716917684 2568715 COCCN1C(=O)C2=C(N=C1SCC3=CC(=O)N4C=CSC4=N3)SC5=C2CCC5 1 2.684 4 3 0 -35.3461207282609 2568704 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3Br 1 2.873 2 2 -6.08384689509448 2568669 CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 2.446 4 4 0 -9.79433069588363 2568650 COC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.095 2 4 -18.8631651047904 2568635 CC1=C(C(=NO1)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)OCCOC 1 1.999 2 6 0 -14.5339579164139 2568551 CCC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC2=C(C(=C(C=C2)F)F)F)CC 1 1.848 3 5 0 -10.4837467011243 2568596 C1=CC(=CC=C1CNS(=O)(=O)C2=CC(=C(C=C2)F)Cl)C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F 1 4.076 3 5 0 -14.0155695082933 2568591 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=N3 1 1.678 2 3 0 -10.548213325489 2568545 CC1=C(C=C(C=C1)NC(=O)COC(=O)/C=C/C2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl)F 1 4.654 3 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-5.71603859382526 2568382 COC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.508 2 3 -17.1143404092256 2568375 C1=CC(=CC=C1N2C(=S)SC(=N2)SCC#N)F 1 4.871 3 0 -7.17281806638529 2568330 CNS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2F 1 1.434 2 4 0 -8.28569011443447 2568311 CC1=C(SC=C1)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 1.55 2 4 0 -14.4570202688967 2568310 CC(=O)NC1=CC=C(C=C1)SCCCC(=O)C2=CC=CC=C2 1 3.317 1 2 -5.99256666693984 2568258 CCOCCCN1C(=NN=C1SCC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2)C4=CC=C(C=C4)Cl 1 4.062 5 4 0 -21.7103232265687 2568254 CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.508 4 3 0 -15.1543169247107 2568201 CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3CC=C)C4=CC=CC=C4)C(=O)O 1 3.734 5 3 0 -20.3130939984284 2568195 CC(C)CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3CN(C)CC4=CC=CC=C4 1 4.109 5 1 -6.29804048358313 2568186 CC1=CC(=NC2=NC(=NN12)C(=O)OCC3=CC(=C(O3)C)C(=O)OC)C 1 1.529 4 5 0 -12.4923840742014 2568131 C1=COC(=C1)CNC(=O)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F 1 2.7 2 5 0 -6.13813825943382 2568123 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3F)N 1 0.473 7 3 0 -17.5054498459279 2568067 CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN(C)C 1 0.46 4 3 0 -9.57884266679234 2568017 CCC1=CC=C(C=C1)CN(C)CC(=O)NC2=C(C=CS2)C#N 1 3.147 3 1 -9.4148003872973 2568013 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)/C=C/C3=CC(=CC=C3)OC)C 1 2.581 2 5 0 -11.3804761914782 2567999 CN(CC(=O)NC1=CC(=CC=C1)OC)CC(=O)NC2=CC3=C(CCC3)C=C2 1 2.633 3 3 -8.38381187284318 2567991 CCOC1=CC=C(C=C1)CN(C)C(=O)CNC(=O)C2CCCCC2 1 2.681 2 3 -11.0749163552246 2567983 CC1=CC=C(N1C)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N 1 1.514 3 3 0 -15.7160920077792 2567972 CN(C)C(=S)SCC(=O)NC1=C(C=C(C=C1)Cl)Cl 1 4.169 2 1 -5.91352615033146 2567968 CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 1 3.931 4 5 0 -26.8196142596579 2567966 C1CN(CC=C1C2=CC=CC=C2)C(=O)C3=CC=CS3 1 3.283 1 1 -11.0098414171769 2567904 CCOC1=CC=CC=C1COC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 2.488 4 3 0 -18.8410832180837 2567894 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCC3=NC4=CC=CC=C4S3 1 4.742 3 1 -3.36985113084498 2567888 CCOC1=CC=CC=C1OCCCC(=O)NC2=CC=CC(=C2C)N3C=NN=N3 1 2.724 5 3 0 -22.2084285831277 2567860 CC1=C(C=C(C=C1)F)NS(=O)(=O)C2=CC=C(S2)Cl 1 3.254 1 2 3.03895005318666 2567858 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4 1 3.441 4 4 0 -26.2116682378048 2567857 C1CN(CC2=CC=CC=C21)C(=O)CNC(=O)CC3=CC=CC=C3 1 1.996 2 2 0 -16.8328006380726 2567826 CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NN=C(O3)C4=CC=CS4)C5CCCC5)C 1 5.086 4 2 -26.4488669038012 2567816 CC1=C(C(=NO1)C)CSC2=NC3=CC(=C(C=C3C(=O)N2CCC4=CCCCC4)OC)OC 1 4.997 3 4 0 -24.336249474583 2567814 C1=COC(=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)SC(F)F 1 2.681 2 3 -12.7612627687482 2567791 CCCN1C(=O)NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl 1 2.797 4 2 -18.4330679126441 2567776 CN1C(=NN=C1SCC2=NC=C(O2)C3=CC=CC=C3)COC4=CC=C(C=C4)Cl 1 4.391 4 2 -1.61470969856964 2567729 C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=C(N=CC=C3)Cl 1 2.07 6 1 0 -12.6905757972199 2567616 C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)CSC3=NN=C(S3)NC4=CC=CC=C4 1 2.129 6 3 0 -14.5284690443375 2567609 CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2N)C3=C(OC=C3)C 1 2.615 4 3 0 -14.6366706495132 2567565 CC1=NN(C(=C1)NC(=O)CSC2=C(C=CC(=C2)Cl)Cl)C3=CC=CC=C3 1 4.97 3 1 -7.70484532103994 2567536 C1=CC=C(C=C1)C(=O)NC(=O)CSC2=CC=C(C=C2)Cl 1 3.544 1 2 -4.81613962669227 2567501 C1CC1NC(=O)CSC2=C(C=CC(=C2)Cl)Cl 1 3.25 1 1 -8.41379082753786 2567498 CC(=O)C1=CC(=C(C=C1)OC)CSC2=CC3=C(C=C2)OCCO3 1 3.464 0 4 -8.9360788740911 2567489 C1COCCN1C2=CC=C(C=C2)NC(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-] 1 2.399 3 5 0 -7.51677446764722 2567483 CC1=CC(=C(C=C1)C)NC(=O)C2=C(C=CC(=N2)Cl)Cl 1 4.403 2 1 -7.82955788653026 2567479 C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=CO3 1 2.647 2 2 -8.32444952868493 2567469 CC1=NN=C(S1)SCC(=O)NNC(=O)COC2=CC=C(C=C2)Cl 1 1.499 4 3 0 -16.8161487866063 2567467 C1=COC(=C1)CNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.005 3 5 0 -20.2240736489151 2567463 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2N)C3=C(OC=C3)C 1 0.734 6 3 0 -22.6677263469109 2567438 C1=CC(=CC=C1C2=NN=CO2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.248 3 4 0 2.91983983348658 2567430 C1=CC(=CC=C1C2=NN=CO2)OC3=C(C=C(C=C3)[N+](=O)[O-])C#N 1 2.462 4 4 0 0.644634033290233 2567426 CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5 1 4.609 2 4 -0.695221393492582 2567409 CC1=C(OC2=CC=CC=C12)C(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC 1 2.945 2 4 6.54064382040236e-002 2567399 C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F 1 2.969 1 3 -11.6999837287152 2567379 CC1=CC(=NO1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4 1 3.817 4 2 -17.208078157605 2567345 CC1=CC(=NO1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.22 3 4 0 -24.5462827098897 2567320 CCN(C1CCCCC1)C(=O)COC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 2.045 5 3 0 -22.983213640731 2567295 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3 1 1.439 6 2 0 -24.0619943096642 2567286 COC1=C(C=C(C=C1)CSC2=NC=NC3=C2C=CS3)F 1 3.965 2 1 -7.51276104848726 2567282 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.807 5 2 0 -14.5383763603328 2567270 CN(C)C1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2 1 2.783 2 1 -11.554546699243 2567269 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.736 3 5 0 -6.23003249188953 2567228 CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=NOC(=C3)C)CCOC)C 1 2.755 4 4 0 -32.6605420269002 2567212 CC(C)[C@@H](C(=O)NCC1=CC=CO1)NC(=O)C2=CC=C(C=C2)OC 1 2.174 2 4 -21.9531965888198 2567184 CC(C)CC1=NN=C(S1)NC(=O)C2=CC3=C(S2)CCC3 1 3.604 3 1 -11.3598132297965 2567175 CC1=C(C=C(C=C1)NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N=N2)F 1 -0.298 5 4 0 -7.39948414367474 2567063 CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 1.865 2 3 0 -7.5787325024554 2567037 COC1=CC=CC(=C1)NC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 3.869 2 2 -3.46039604361537 2567035 COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCCC3)C#N 1 2.824 4 3 0 -21.9489026576865 2567030 C1=CC(=CC(=C1)Br)NC(=O)CCNC(=O)C2=CC=CO2 1 2.066 2 3 -10.5305685718352 2567029 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCOC 1 1.834 5 4 0 -30.444283852609 2567018 CC(=O)NCC1=CC=C(O1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC 1 1.962 3 5 0 -20.8500687219199 2566989 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(N2CC=C)C 1 2.373 4 2 -17.9426086441862 2566986 CC1=CC(=NC2=NC(=NN12)SCC3=NC=C(O3)C4=CC=CC=C4)C 1 3.352 5 1 -5.00482241723983 2566963 CCN(CC(=O)NCC1=CC=CS1)C2=NN=NN2C3=CC=CC=C3 1 1.532 6 1 0 -19.443430165599 2566943 CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 3.421 4 3 0 -25.1031378886791 2566902 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCCC3 1 3.224 3 2 -19.0173668963472 2566875 CCOC1=CC=CC=C1NC(=O)CN2C(=O)C(=O)N(C2=O)CC3=CC=CO3 1 1.063 3 6 0 -14.5503819917298 2566868 CC(=O)NCC1=CC=C(O1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4 1 2.697 5 3 0 -14.4022190009583 2566851 CC(C)(C)C1=NN=C2N(C1=O)N=C(S2)SCC(=O)NCC3=CC(=C(C=C3)OC)OC 1 3.955 5 4 0 -20.5002266144317 2566843 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=CC=C4F 1 2.402 6 2 0 -13.9508407151587 2566819 CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC2=CC=CO2 1 1.675 2 4 0 -12.8134654110818 2566816 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(S3)[N+](=O)[O-] 1 3.323 2 3 -5.78976826804433 2566808 CC1=CC(=C(C(=C1)C)OCC(=O)NC2=NN=C(O2)C3=CC=CO3)C 1 3.144 3 4 0 -4.77027917670427 2566800 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=C(C=C(S3)CC)C(=O)N2CC=C)N 1 2.881 5 4 0 -27.6566222082945 2566797 CC1=C(N=C(N=C1C)SCC(=O)NC(=O)NCC2=CC=CO2)C 1 1.77 4 3 0 -11.8213416584471 2566793 CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F 1 4.909 4 2 -19.1665240189373 2566781 CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NC3=NOC(=C3)C 1 3.227 4 3 0 -35.1682150595945 2566752 CC1=CC=CC2=C1N=C(C=C2C)SCC3=CC=C(O3)C(=O)OC 1 4.981 1 3 -3.74365639590754 2566751 CC1=C(SC(=N1)N2CCCCC2)C(=O)C3=CC(=C(C=C3)SCCO)[N+](=O)[O-] 1 3.161 3 4 0 -7.76682155409176 2566746 CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=N1)SCC(=O)NCC(F)(F)F 1 3.687 3 1 -20.0094315942203 2566738 CCC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC(=O)C2=CC=CC=C2)CC 1 1.104 3 6 0 -12.719415479321 2566685 CC(=O)NC1=CC=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2 1 1.857 2 3 0 -13.4327416342234 2566682 C1CC(=O)N(C1)CC(=O)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 2.178 4 4 0 -32.6985001647927 2566681 CCCCNC(=O)CSC1=NC(=O)C=C(N1C2CCCC2)O 1 2.89 3 3 -22.5424155673145 2566659 CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)N 1 3.043 5 4 0 -18.9486150940909 2566620 CC1=CC(=NC2=NC(=NN12)SCC3=NN=C(O3)C4=CC=C(C=C4)F)C 1 3.15 6 1 0 -9.0466568890943 2566601 CCNC(=O)CN1C(=O)C(NC1=O)(CC2=CC=CC=C2)CC3=CC=CC=C3 1 2.362 3 3 -8.0744746199351 2566589 C1=CC(=CC=C1OCC(=O)NNC(=O)CSC2=NN=CS2)Cl 1 1.238 4 3 0 -12.6894240079181 2566588 C1=CC=C(C(=C1)C(=O)NCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)F 1 0.913 3 4 0 -20.2007227558676 2566575 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.628 3 5 0 -14.1464086778495 2566557 CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 1.841 3 4 0 -8.30771256373558 2566528 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NN=C(O3)C4=CC=C(C=C4)OC(F)F 1 4.341 3 4 0 -5.64512874881488 2566519 C1=CC=C(C(=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F)F 1 4.257 2 3 -6.43692996067233 2566513 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4 1 2.533 3 5 0 -7.44623740671177 2566505 CN(CC1=CC=C(C=C1)Cl)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 3.168 2 4 -8.32764615978348 2566493 CN(CC1=C(C=C(C=C1)OC)OC)C(=O)CNC(=O)C2=CC=CS2 1 1.807 2 4 0 -13.6309413802844 2566492 CCCC1=CC=C(C=C1)C(=O)CN2C(=O)C(=O)N(C2=O)C3CCCC3 1 3.386 2 4 -7.97865929315887 2566488 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CC=C4 1 3.461 6 4 0 -11.2122045567814 2566479 CCOC1=CC=C(C=C1)CN(C)C(=O)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.17 2 6 0 -16.9971043720103 2566440 C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NCCC3=CCCCC3 1 3.559 5 1 -20.361405087208 2566424 COC1=C(C=C(C=C1)Cl)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3 1 3.078 2 3 -12.4087020488587 2566411 COC1=C(C=C(C=C1)COC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)F 1 4.377 1 3 -9.4717287870235 2566409 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC4=C(C=C3)N=C(S4)C 1 2.25 3 4 0 -20.4996561875035 2566406 C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=CC(=C(C=C2)F)Cl 1 2.792 2 2 -10.9723131347842 2566372 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(S3)CCC4 1 3.737 2 2 -6.64522694143048 2566342 CC(=O)NC1=CC=C(C=C1)OCC(=O)NCC2=CC3=C(C=C2)OCO3 1 1.345 2 5 0 -13.8360057574752 2566316 CCN1C(=O)C(=O)N(C1=O)CC2=CC(=C(C=C2)OC)F 1 1.451 2 4 0 -3.43069190585701 2566280 COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5 1 4.655 4 1 6.47758281743359 2566241 CC1=CC(=C(C=C1)C)NC(=O)CC2=CSC(=N2)C3=CC=CC=C3 1 4.431 2 1 -3.833109958663 2566237 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC=C2 1 1.948 2 3 0 -17.8925893453887 2566177 CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=NC=CN=C2N 1 0.451 4 3 0 -12.1369814552653 2566116 COC1=C(C=C(C=C1)C2=CSC3=C2C(=NC(=N3)C4=CN=CC=C4)Cl)OC 1 3.94 3 2 1.71430688652928 2566119 CC1CCN(CC1)CC2=NC3=C(C4=C(S3)CCC4)C(=N2)Cl 1 4.043 3 0 -5.39197530164275 2566144 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 1 2.123 4 6 0 -36.2203526476901 2566138 CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)CCl 1 4.573 1 1 -1.94132640869576 2566124 CC1=CC(=C(N1C)C)C2=CSC(=N2)N 1 1.618 3 0 0 3.92431156601583 2566108 CC1CCN(CC1)CC2=NC3=C(C(=C(S3)C)C)C(=N2)Cl 1 3.748 3 0 -1.3298742899315 2566102 C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)C(=O)O 1 3.64 2 2 -3.801554470399 2566083 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCl 1 1.673 1 3 0 -10.2474286963747 2566068 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3Cl)[N+](=O)[O-] 1 3.918 3 3 -3.26584780406697 2566057 C1CCC(CC1)CNC(=O)C2=CN=C(C=C2)Cl 1 2.949 2 1 -9.3454537677714 2566044 CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C#N)C 1 5.064 4 1 -10.6285258686817 2566033 CC(C)(C)NC(=O)CC1=CC=C(S1)S(=O)(=O)N2CCCC2 1 1.66 2 3 0 -19.9025262579472 2565969 C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)/C=C/C(=O)O 1 4.107 2 2 0.996150534025555 2565946 C1CCC(CC1)N2C(=NNC2=S)CNC3=CC=CC(=C3)C(F)(F)F 1 4.562 4 0 -2.98912205837061 2565899 C1=CC=C2C(=C1)C=C(C3=NN=NN23)C#N 1 0.836 5 0 0 -8.31214308092138 2565935 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC3=C(C=C2)OCO3 1 2.76 0 6 -10.0607219787888 2565934 CC1=CC(=NC2=C1C=C(C=C2)Cl)NN 1 2.344 3 0 10.2622557412655 2565923 C1=CC=C(C(=C1)C2=C(C=NN2)/C=C(\C#N)/C(=O)O)Br 1 2.768 3 2 -6.77847760249416 2565823 CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC3=CSC(=N3)C 1 3.024 1 3 -3.81703378029151 2565849 C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N 1 3.613 3 2 -17.35462480575 2565814 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.505 3 5 0 -18.7805809904882 2565794 CC1=C(C(=NO1)C)CSC2=NN=C(N2N)C3=C(C=CC(=C3)Cl)Cl 1 3.505 5 1 -10.4745774764229 2565746 COC1=CC(=C(C=C1)OC)/C=C/C(=O)N2CCCC3=CC=CC=C32 1 3.786 1 3 -4.41343830005883 2565734 COC1=CC=C(C=C1)CNC(=O)CSC2=NN=NN2C3=CC=C(C=C3)O 1 2.185 5 3 0 -22.3094979795826 2565684 C1=CC(=CC(=C1)Br)NC(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-] 1 3.298 2 4 -5.1095186820685 2565676 C1=CC(=CN=C1)CNC(=O)CCC(=O)C2=CC=CS2 1 1.379 2 2 0 -17.5778022204114 2565671 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)C 1 1.885 3 2 0 -7.52268530490991 2565717 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC(=O)NC3CC3 1 2.025 2 4 -20.3084306753253 2565622 CC1=CC(=C(N1C2CC2)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 2.151 3 4 0 -12.450839403014 2565633 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=NC4=CC=CC=C4S3 1 4.255 3 4 0 -8.31508101511498 2565666 C1CN(CC2=CC=CC=C21)C(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43 1 1.792 3 3 0 -14.3972864971656 2565655 CC1=CC(=NC2=CC=CC=C12)SCN3C(=O)C4=CC=CC=C4N=N3 1 5.216 4 1 -13.1993184088806 2565652 CC(=O)C1=CC(=C(C=C1)OC)COC2=CC=C(C=C2)N3C=NN=N3 1 2.007 4 3 0 -16.5053736160045 2565589 C=CCSC1=NN=C(S1)NC(=O)C2=CN=C(C=C2)Cl 1 2.511 4 1 -18.5660381294158 2565576 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=NN3C4=CC=CC=C4 1 1.424 8 3 0 -26.1037533873767 2565573 C1CN(CCN1C(=O)COC2=CC=CC=C2C#N)C(=O)C3=CC=CO3 1 1.234 3 4 0 -9.52663075892885 2565564 CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=CN3C)C(=O)C 1 1.302 5 2 0 -22.0118687989926 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COC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N 1 0.777 3 6 0 -11.1178623527135 2564956 CC1=CC=C(C=C1)CNC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F 1 4.552 1 3 -8.71844280070335 2564914 CC(C)CCNC(=O)CC1=CSC(=N1)C2=CC=CC=C2 1 3.462 2 1 -10.1297380464949 2564907 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 3.381 6 3 0 -10.0566780885796 2564905 CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C 1 1.127 1 4 0 -8.50769364889752 2564901 C1=CC(=CC=C1CNC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F)F 1 4.272 1 3 -9.54476174292091 2564869 C1CCC(CC1)(CNC(=O)COC2=CC=CC=C2[N+](=O)[O-])N3CCCCC3 1 3.538 3 4 0 -13.7815031074017 2564867 C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC(=O)O)[N+](=O)[O-] 1 2.532 2 5 0 -10.1617827580686 2564837 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC=CC=C4C3 1 2.606 3 2 -14.0730682313424 2564826 COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3 1 2.723 3 6 0 -17.0396748872018 2564799 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C(C)C 1 1.785 2 4 0 -7.83671159375825 2564796 CC1=CC(=CC=C1)OCCC(=O)NNC(=O)C2=C(OC=C2)C 1 1.69 2 4 0 -8.47300487044231 2564786 CC1=CC=C(C=C1)C(=O)CNC2=CC=CC=C2 1 3.38 1 1 -4.33931163328204 2564708 CCOC(=O)CCCN1CC(=O)C(=C1N)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.094 3 3 -9.54890441670117 2564703 C1=CC=C(C(=C1)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)Cl 1 3.894 4 1 -13.2390142246895 2564678 C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)OC4=NC=CC=N4 1 3.635 2 2 0.500823130465705 2564677 C1=CC(=CC=C1NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)Cl 1 3.894 4 1 -11.0697837607521 2564674 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)OC3=CC4=C(C=C3)OC5=CC=CC=C54 1 3.86 2 4 -11.2490565792048 2564639 C=CCN1C(=O)C2=C(N=C1SCC3=NC(=O)C4=CC=CC=C4N3)SC=C2C5CC5 1 3.977 4 2 -22.3328109325932 2564615 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4=C(N(C(=C4)C)C)C 1 3.481 5 2 0 -14.6384393964912 2564609 C1=CC(=CC(=C1)S(=O)(=O)NCC2=CN=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.287 3 3 -9.42184514997087 2564582 CC1=CC=C(C=C1)C2=NC(=CS2)CSC3=NC4=CC=CC=C4C(=O)N3C 1 4.902 3 1 -7.58772948641956 2564522 C1CCN(C1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CCC5=CC=CC=C5 1 5.126 3 2 -19.8958330174547 2564513 C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=CC=C3N4CCOCC4 1 3.509 2 2 -7.66860267817367 2564498 CC1=CC(=C(N1C2CC2)C)C(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-] 1 3.249 2 4 -7.51905307859892 2564443 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NNC(=N2)N 1 1.464 6 3 0 -11.4052604405732 2564412 C[C@@H](C(=O)OCC(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 1.798 3 8 0 -16.1101329895941 2564411 CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC(C)C)N 1 2.969 7 3 0 -18.2016304870047 2564395 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)F 1 5.18 3 3 -28.8936264491908 2564389 C1=CC(=CC(=C1)Cl)CN2C(=O)C3=C(C2=O)C(=CC=C3)N 1 2.363 2 2 -0.749599869804295 2564329 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2CCCCC2 1 2.137 2 3 -15.8265454673778 2564308 CC1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4 1 4.05 2 3 -6.27641589489746 2564305 C1=CC=C(C=C1)C2=CSC(=N2)SCC(=O)NC3=NC=CS3 1 2.949 3 1 -10.1770659160642 2564302 C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)Cl 1 4.228 2 3 -4.45441720431064 2564298 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(O4)COC(=O)C5=CC=NC=C5)OC 1 3.711 4 5 0 -10.9347662024006 2564287 CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O 1 2.237 1 5 -20.4159732830361 2564284 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NNC(=O)N3CC4=CC=CC=C4 1 2.686 5 3 0 -15.8360628549514 2564283 COC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O 1 2.481 1 5 -17.1340868228122 2564280 C1=CC(=CC(=C1)F)OC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-] 1 3.247 2 3 4.97330873625855 2564278 C1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC(=C(C=C3)F)F 1 2.909 1 4 -16.4228673031611 2564272 C1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=CS3 1 2.284 1 4 -15.8313537308922 2564268 CCCCC1=NN=C(S1)NC(=O)C2=NN3C(=CC=NC3=N2)C 1 1.723 7 1 0 -17.2523991082754 2564250 CC1=NC2=C(S1)C=C(C3=C2SC=C3)OC4=NC=C(C=C4)S(=O)(=O)N5CCOCC5 1 2.789 3 4 0 -14.9020798100813 2564184 CC1=C(C=C(C=C1)NCC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCCOC)F 1 2.257 3 5 0 -17.2244112615576 2564183 CC1=C(N=C(S1)NC(=O)CN2C=NN=N2)C3=CC=C(C=C3)OC 1 0.849 6 2 0 -18.3074920006712 2564144 C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F 1 0.767 2 3 0 -17.9569491208218 2564141 C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=C(C=C(C=C3Br)F)F 1 3.252 1 4 -1.40976756679911 2564138 CCN(CC(=O)NCC1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.573 3 5 0 -23.7685484500843 2564106 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)OCC(=O)N 1 0.874 4 6 0 -19.9178419290376 2564019 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC4=CC=CC=C4S3 1 2.272 5 3 0 -11.4002335590764 2563970 CC1=C(C(=NN1CC2=C(C=CC(=C2)C(=O)C)OC)C)[N+](=O)[O-] 1 2.109 3 4 0 -7.29689135609635 2563932 CCOC1=CC=CC=C1OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C 1 2.838 4 5 0 -18.6566126228124 2563920 CC1=CC=C(O1)C(=O)OCC(=O)NC2=C(C=C(C=C2Cl)S(=O)(=O)N)Cl 1 1.896 2 6 0 -9.27550379416024 2563888 C1=CC=C2C(=C1)C(=NC=N2)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl 1 3.651 4 2 2.06106278182395 2563886 C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CNC(=O)C3=CC=C(C=C3)Cl 1 3.042 4 4 0 -23.903998139108 2563882 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C4=NN=C(O4)SCC(=O)N 1 3.153 4 2 -12.9162333755419 2563873 C1=CSC(=C1)C2=NN=C(O2)SCC3=NN=C(O3)C4=CC=C(C=C4)F 1 3.447 4 2 -9.91480302134927 2563824 CN1C(=O)C2=C(N=C1SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC)SC4=C2CCC4 1 3.575 3 5 0 -22.8450123611856 2563810 CC1=C(C=C(C=C1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N)C 1 4.626 5 0 -0.570177519658755 2563801 C1CCC(C1)NC(=O)C2=NNC3=CC=CC=C32 1 2.512 3 1 -12.7816264740848 2563771 CC1=CC(=NO1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.713 3 6 0 -26.3029551674604 2563769 CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)C 1 2.402 2 3 -6.26767981051227 2563742 CC1=C(C(=NO1)C)CSCC(=O)OCC(=O)NC2CCCCC2 1 1.886 2 4 0 -22.9679602481475 2563737 C1=CC=C2C(=C1)N=C(S2)CSC3=NN=C(O3)C4=CC=C(C=C4)Cl 1 4.737 3 1 -0.242633253656809 2563735 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C(=O)C5=CC=CC=C5 1 4.699 4 1 -1.54934665677735 2563734 CC1=CC(=C(N1CC(F)(F)F)C)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C 1 4.2 3 3 -15.5023236879101 2563684 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC(=C(S3)Br)Br 1 3.734 2 2 -6.60520044474265 2563677 CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CSC3=C2CCCC3 1 3.577 1 3 -10.5481456379955 2563674 C1C2=CC(=CC(=C2OCO1)COC(=O)CCCNC3=NS(=O)(=O)C4=CC=CC=C43)[N+](=O)[O-] 1 1.962 3 8 0 -15.7110581633653 2563667 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)/C=C/C2=CC=CO2 1 1.733 4 4 0 -9.12145326008586 2563648 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=CC=C3 1 2.565 3 4 0 -14.9947086572748 2563593 C1CCC(=O)N(CC1)CC(=O)OCC2=NC=C(O2)C3=CC=CC=C3 1 1.938 2 4 0 -11.5953065603037 2563591 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(=O)NC3=C(C=CS3)C#N 1 3.788 3 1 -8.45009593242397 2563563 CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4 1 3.569 5 1 -7.80276317553122 2563544 CC1=C(C(=NO1)C)CSC2=NN=C(N2N)C3=CC=CC=C3 1 2.176 5 1 -13.2252816946055 2563478 CC(=O)NC1=CC=C(C=C1)NC(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-] 1 1.67 3 5 0 -9.61831505308544 2563474 COC1=CC(=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCC2)O 1 1.668 2 6 0 -8.23459253623873 2563472 CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)OCC(=O)NC(=O)NCC(C)C 1 2.113 3 5 0 -4.97983717447149 2563465 COC1=CC=C(C=C1)N2C=NN=C2SCC3=NC=C(O3)C4=CC=CC=C4 1 3.527 4 2 -1.32091459674264 2563452 COCCNC1=NN=C(S1)SCC(=O)NNC(=O)C2=CC=CC=C2 1 0.486 5 3 0 -22.5525748066886 2563431 C1CCN(CC1)CC(=O)NCC(=O)NC2=C(C(=C(C=C2)F)F)F 1 1.549 3 2 0 -11.3507627756536 2563425 CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC5=CC=CC=C5C4 1 5.931 3 2 -24.9726792366269 2563406 CCN(CC1=NN=C(O1)C2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)OC 1 2.57 4 3 0 -6.85069522414113 2563402 C1CN(CCN1CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4 1 2.551 3 2 -8.91078949625826 2563366 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC 1 2.545 4 4 0 -26.5352642140351 2563358 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)C 1 3.081 2 4 -11.8202344625858 2563350 CN(C1=CC=CC=C1)C(=O)COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 1.306 3 7 0 -15.2125988969022 2563347 COC1=CC(=C(C=C1)C(=O)COC(=O)CNC(=O)C2CCCCC2)OC 1 2.43 1 6 0 -11.3541482413834 2563334 CC1=CC=C(S1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.715 1 5 -16.5525590024224 2563328 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)NC3CCCC3 1 3.56 1 5 -2.1301459319381 2563279 COC1=CC(=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCC2)OC 1 1.894 2 6 0 -11.0980423898771 2563263 CC1=CC=CC=C1OCCSC2=NN=C(N2N)C3=CN=CC=C3 1 2.678 5 1 -5.50050875137494 2563261 CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 2.505 2 4 -16.9874067208836 2563217 C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4)S(=O)(=O)C5=CC6=C(C=C5)OCCO6 1 3.459 4 4 0 -7.62499614978417 2563194 CCCC(=O)OCC(=O)C1=C(C(=C(N1)C)C(=O)C)C 1 2.156 1 4 -15.903877003764 2563187 CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.9 3 4 0 -20.3807777315407 2563179 CCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)NC(=C3C)C 1 3.872 2 2 -4.87045000886566 2563164 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CO2 1 1.146 2 5 0 -19.1854638909216 2563157 CC1=NN(C(=C1C(=O)NCC2=CC=CO2)Cl)CC3=CC=CC=C3 1 2.778 3 2 -13.5186967753039 2563156 CC1=CC=CC(=C1)C(=O)OCC(=O)NC2CCCCCCC2 1 4.002 1 3 -11.8127058973674 2563151 COC1=CC=C(C=C1)CC(=O)NC2=NCCS2 1 2.121 2 2 -11.9635625814975 2563094 CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC(=NC4=C3C(=O)N(C(=O)N4CC(C)C)C)C 1 3.66 5 3 0 -13.6964569810512 2563109 COC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-] 1 2.177 3 6 0 -7.62663107616326 2563100 CC1=CC(=C(C=C1Cl)OC)NC(=O)COC2=C(C=C(C=C2)OC)[N+](=O)[O-] 1 3.462 2 6 0 -9.05158860385026 2563098 C1CC1NC(=O)COC2=C(C=C(C=C2)Cl)Br 1 2.775 1 2 -4.21067244123894 2563061 CN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4N=N3 1 3.869 5 2 0 -22.2285774509976 2563048 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNS(=O)(=O)C3=C(C(=C(C=C3F)F)Cl)F)C 1 3.186 4 3 0 -5.84116423957002 2563034 C1=CC=C(C(=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)F 1 2.503 2 4 -14.589709415316 2563022 CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 1.442 6 5 0 -22.6779178935443 2563017 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=NNC4=CC=CC=C43 1 3.151 4 1 -7.32911705391589 2563006 C1=CC=C(C=C1)CC(=O)NCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 0.421 3 4 0 -19.8052365478255 2562985 CC1=C(N=C(N=C1C)SCC(=O)NCCC2=CC=CC=C2)C 1 3.13 3 1 -12.1579610268842 2562953 CN(CC(=O)NC1=CC=CC=C1C2=CC=CC=C2)CC(=O)NC3=C(C=CC(=C3)Cl)OC 1 3.759 3 3 0.113945538121263 2562940 CC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 0.26 6 3 0 -29.5032318430034 2562920 COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC(=O)C3=CC=CO3 1 1.927 3 4 0 -11.3963022057593 2562915 COC1=CC=C(C=C1)CCSC2=NN=C(N2N)C3CCCCC3 1 4.061 4 1 -4.01901915616172 2562908 CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)CSC3=NN=C(N3N)C4CCCCC4 1 4.139 6 1 0 -15.2231227666945 2562877 CC1=NC=C(N=C1)C(=O)OCC2=CC=C(C=C2)C#N 1 1.557 3 2 0 -10.6921934912766 2562875 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC3=NC4=CC=CC=C4N3 1 3.736 3 3 8.44339724253766 2562868 CCOC1=CC=CC=C1NC(=O)CN2CCC3=CC=CC=C3C2 1 2.947 2 2 -12.7955199025557 2562863 CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)C2=CC=CN2 1 3.199 2 4 -19.0063552366553 2562862 CC1=CC=CC(=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2 1 2.594 2 4 -11.8164899164861 2562856 COCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4O3)N 1 1.717 4 5 0 -3.96120812243549 2562851 COC1=CC=C(C=C1)OCCC(=O)OCC(=O)C2=CC=CN2 1 2.393 1 5 -8.08108737535037 2562839 COC1=CC=C(C=C1)C2=NN=C(O2)SCC3=NC=C(O3)C4=CC=CC=C4 1 3.68 3 3 -2.08179000954586 2562819 CC1=NN=C(S1)SCC2=NN=C(O2)C3=CC=CS3 1 2.135 4 1 -15.8058687964782 2562806 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC=CC=N2 1 1.628 4 4 0 -13.1174960198538 2562799 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CSC3=NN=C(S3)N 1 1.667 5 4 0 -11.2491526015326 2562796 CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.593 1 5 -13.3430463074065 2562785 COC1=C(C=C(C=C1)CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC 1 3.32 3 5 0 -24.377468837959 2562780 CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NNC(=N2)N)C(=O)OC 1 1.359 5 5 0 -19.6963529264213 2562779 CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)C2=CC3=C(C=C2)OCO3 1 2.153 1 6 0 -13.6752442910298 2562759 CNC(=O)NC(=O)COC(=O)C1=CC=CC=C1OCC2=CC=CC=C2 1 2.092 2 5 0 -10.9531074778616 2562743 CC1=CC(=NO1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C 1 2.154 6 3 0 -30.9483525698391 2562664 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=C(C=C(C=C2)F)Cl 1 3.895 1 3 -5.64230168796575 2562653 C[C@@H](C(=O)OCC(=O)N1CCC2=CC=CC=C21)NS(=O)(=O)C3=CC=CC=C3F 1 2.054 2 5 0 -21.9174408001825 2562649 CN1C=NN=C1SCC(=O)NNC(=O)COC2=CC=C(C=C2)Cl 1 0.876 5 3 0 -18.3272312187338 2562591 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C 1 -9.7e-002 2 4 0 -21.545523742328 2562584 C1=CC=C(C=C1)C(=O)NC(=O)CSC2=CC=CC(=C2)C(F)(F)F 1 3.822 1 2 -4.43814106033761 2562535 CN(CC1=CC=CS1)C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-] 1 1.44 4 4 0 -14.0174589631464 2562528 CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F 1 3.991 4 3 0 -9.72156302315529 2562515 CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 2.182 4 4 0 -22.6863502000726 2562500 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=N2 1 0.757 3 3 0 -10.4662941334822 2562494 CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2N)C3CCCCC3 1 3.17 6 2 0 -14.3353437627099 2562493 C1=CC(=CC=C1CNC(=O)CNC(=O)C2=CC=C(C=C2)F)S(=O)(=O)N 1 0.592 3 4 0 -18.1183558003373 2562489 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3 1 2.541 1 7 0 -26.3398301942219 2562431 COC1=CC=CC=C1OCC(=O)NCC2=CC=CS2 1 2.18 1 3 -15.1392523949084 2562425 COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CCC(=O)C3=CC=C(C=C3)F 1 3.239 2 4 -14.0921836956075 2562424 CC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2F)F)Cl)F 1 1.444 2 3 0 -11.8758692311814 2562410 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3F)C 1 2.45 4 4 0 -11.769324773961 2562361 CNC(=O)COC(=O)C1=CC(=C(C(=C1)OC)OC)NC(=O)C2=CC=CO2 1 0.892 2 7 0 -16.7019955541865 2562360 CC1=CC(=NO1)C(=O)NC2=CC=CC3=C2C=CC=N3 1 1.829 3 2 0 -12.3250893917125 2562343 CN1CCC2=C(C1)SC(=N2)NC(=O)CCC3=CC(=C(C=C3)OC)OC 1 2.438 3 3 -12.4670126255001 2562335 CN(CC(=O)NC1=CC=C(C=C1)OC)CC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.518 3 3 -0.703411773837318 2562332 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C3N2CCCCC3 1 3.52 4 1 -18.4917831178025 2562328 COC1=CC=CC=C1CCC(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3 1 2.599 2 3 -12.7568291412762 2562312 CC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2CC2 1 0.97 1 3 0 -12.1609332858758 2562309 COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)OC 1 4.375 1 6 0 -1.97626426875533 2562220 CN(C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 2.086 5 3 0 -23.5305567508445 2562196 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)C(C)(C)C 1 4.034 4 3 0 -27.0127755528872 2562186 C1CN(CCC1C(=O)OCC(=O)C2=CC=CO2)C(=O)C3=CC=C(C=C3)Cl 1 2.887 1 5 -7.44227495889007 2562177 CC(C)C1=NN=C(N1N)SCC(=O)N2CCC3=CC=CC=C32 1 2.092 5 1 -20.2817800720647 2562173 CCCN1C(=O)NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3 1 1.9 4 4 0 -21.9503205404561 2562162 C1=COC(=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3 1 2.42 1 4 -11.8976457168695 2562147 C1=CC(=CC=C1CSC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)F 1 3.984 3 3 -16.0859689680392 2562142 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C3=CC=CO3 1 3.74 0 5 -10.7334035188718 2562136 C1=CC=NC(=C1)C2=NC(=CS2)C3=CC=CO3 1 2.83 2 1 5.61162081311502 2562124 C1COCCN1C2=NC3=CC=CC=C3N=C2OCCOC4=CC=CC=C4 1 3.218 3 3 -0.619124492498351 2562110 CCN(CC1=NC(=O)C2=CC(=CC(=C2N1)Br)Br)CC(=O)NC(C)(C)C 1 2.672 4 2 -8.62970189955273 2562089 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)[N+](=O)[O-] 1 1.986 3 7 0 -17.0776410415671 2562079 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)O 1 2.545 2 3 -4.50182901298778 2562065 C1=CC=C2C(=C1)N=C(S2)CSCC(=O)N 1 1.509 2 1 0 -4.67800855638221 2562058 C1CN(CCC1=O)C(=O)CCCN2C3=CC=CC=C3OC2=O 1 1.145 2 4 0 -8.01586021376035 2562010 CC(C)OC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=NC=CN=C3 1 3.21 5 2 0 -12.8744378272786 2561965 CC1=CC=C(C=C1)C2=NC(=CS2)CSC3=NC4=CC=CC=C4C(=O)N3CCO 1 4.362 3 2 -8.77927806276744 2561942 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C)OC 1 7.e-002 3 4 0 -23.4924549589558 2561928 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCN(CC2)C 1 2.047 2 3 -12.4468548928381 2561925 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NCCN(C)C 1 1.96 2 3 0 -6.16453350882128 2561888 C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)NC(=O)N)NC(=O)C2=CC=CS2 1 1.372 3 5 0 -15.7765944380663 2561884 CC1=NC(=CS1)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O 1 2.624 1 4 -2.71011962245192 2561880 CC(=O)NC(=O)COC(=O)C1=CC2=C(C=C1)N=CS2 1 0.613 2 4 0 -12.8704727882765 2561856 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=C4C(=C(SC4=NC(=N3)CN5CCOCC5)C)C 1 3.651 5 3 0 -14.7526958363026 2561826 C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)O 1 3.25 1 3 -14.5133146467454 2561822 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3)C 1 2.496 3 5 0 -11.666375216609 2561820 COC1=NC=C(C=C1)NC(=O)CCl 1 0.855 2 2 0 -7.25540208767117 2561818 C1=CC=C2C(=C1)C=NN3C2=NN=C3/C=C/C(=O)O 1 1.265 4 2 0 -2.12296497579639 2561763 CC1=NC(=CC=C1)N2C(=O)C3=CC=CC=C3NC2=S 1 3.389 3 1 -4.23645363836209 2561752 COCCCN1C(=O)C2=C(NC1=S)SC3=C2CCCS3 1 3.057 2 2 -10.7847520992305 2561726 CC1=CC(=C(N1CC2=CC=CO2)C)C3=CSC(=N3)N 1 2.383 3 1 1.26377912068917 2561720 CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=S)SC(=N2)SC 1 4.356 4 4 0 -18.5813549114304 2561712 CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)O 1 2.467 1 3 -14.0399358322895 2561665 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)N 1 0.334 4 7 0 -20.4678385397807 2561629 COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=C(N=CC=C3)Cl 1 3.129 4 3 0 -18.7446498534426 2561594 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CN3C=C(C=CC3=O)C(F)(F)F 1 1.811 3 5 0 -6.48440274414929 2561557 COC1=C(C=C(C=C1)CNC(=O)CSC2=CC=C(C=C2)Br)OC 1 3.73 1 3 -12.9334343340164 2561510 C1=CNC(=C1)C(=O)COC(=O)CC2=CC(=C(C=C2)Cl)Cl 1 3.689 1 3 -4.89236528763195 2561495 CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=NNC4=CC=CC=C43 1 3.857 2 4 -12.6734600797752 2561445 CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C4N3C=C(C=C4Cl)Cl)C 1 3.461 5 2 0 -18.5150405146302 2561439 CCN(CC(=O)NCC1=CC=C(C=C1)F)S(=O)(=O)C2=CC=C(C=C2)C 1 2.63 2 3 -18.1140217950847 2561414 C1CC2=C(C1)SC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4 1 3.91 0 4 -9.57318395341962 2561395 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43 1 2.567 4 4 0 -22.0620333966258 2561393 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(O3)CC4=CC=CC=C4 1 2.651 3 4 0 -21.9035105012108 2561374 CC1=CC=C(C=C1)NC(=O)COC2=NC=C(C=C2)Br 1 3.073 2 2 -5.87502262313565 2561350 CCC1=CC=C(C=C1)NC(=O)CN2C(=O)N(C(=O)N(C2=O)CC=C)CC=C 1 2.77 4 4 0 -12.2964959110145 2561331 COC1=C(C=C(C=C1)NC(=O)CNC2=CC(=C(C=C2C(=O)OC)OC)OC)OC 1 2.064 2 7 0 -17.1757799539648 2561323 C1CC1C(=O)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O 1 3.4 1 2 -9.15831202464156 2561314 COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCC2(CCCCC2)N3CCCCC3 1 2.497 3 4 0 -16.5219404291282 2561217 CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2CCCC2)OCC 1 2.551 2 4 -14.5262526671734 2561213 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCCC(C)C 1 3.683 1 3 0.888462932193303 2561206 C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 4.127 2 2 -5.83441072820745 2561205 CN1C(=NN=C1SCCC#N)C2=CC=CC=C2F 1 2.592 4 0 -7.46153385761574 2561197 C1=CC=C(C=C1)CC(=O)NCC(=O)NCC2=CC(=CC=C2)C(F)(F)F 1 2.658 2 2 -11.0055486012069 2561190 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)C(F)(F)F 1 4.257 2 3 -4.19068095929977 2561138 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC3CC3 1 3.064 1 4 -5.60273403081239e-002 2561100 CC(=O)C1=CC=C(C=C1)OCCCC(=O)NC2=NCCS2 1 2.247 2 3 -17.2772399191102 2561085 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)O 1 2.725 5 3 0 -3.22591052535726 2561082 CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F 1 1.654 2 4 0 -16.0698321555545 2561079 CN(CC1=CC=CS1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.863 2 4 0 -26.1643813793069 2561060 C1=CC=C(C(=C1)S(=O)(=O)NC2=CC=C(C=C2)CC(=O)O)Br 1 2.73 1 4 -6.97388031539787 2561039 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)/C=C/C3=CC=CO3 1 1.988 4 4 0 -7.1497129224704 2560947 CC1=NC2=C(C=CC=C2OCC(=O)NCC3=CC=CO3)C=C1 1 2.107 2 3 -14.0042554462269 2560942 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.324 4 3 0 -5.45829653600562 2560938 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CC3=C(C=C2)N=CN3 1 2.368 4 2 -11.7622602124156 2560914 CC1=C(C=CC(=C1)Cl)NC(=O)CN2C(=O)C(=O)N(C2=O)C3CCCC3 1 2.519 3 4 0 -10.6464999281417 2560906 C1CCC(CC1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.995 2 3 0 -12.1287621604867 2560898 CCNC(=O)COC(=O)C1=C(C(=C(N1)C)C(=O)OC)C 1 0.966 2 5 0 -16.5773837964911 2560876 C1CN(CCN1C(=O)CNC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 1.185 3 3 0 -13.4805396037436 2560874 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3CCCC3)C 1 3.019 2 3 -16.0074814905028 2560799 CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C(=C2)Cl)O)Cl 1 2.246 2 6 0 -7.13861145314763 2560830 CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=NC=CC=N2)C 1 2.036 3 3 -11.1578739276228 2560825 CCN(CC1=CC=NC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C 1 1.468 2 3 0 -12.4976936031255 2560818 C1CC1C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.41 2 3 -4.24270277931411 2560809 CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3 1 1.803 5 2 0 -8.48195649151833 2560785 CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=CC=CC=C3F 1 2.397 3 4 0 -15.4178602241317 2560741 CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CN3C(=O)C(=O)N(C3=O)CC4=CC=CC=C4 1 3.541 3 4 0 -9.33819239991971 2560737 C1CCC(=CC1)CCNC(=O)COC2=NC3=CC=CC=C3N=C2 1 3.204 3 2 -9.8864763499921 2560700 C1=CC(=C(C=C1Cl)SCC(=O)NCC(=O)NC2=C(C(=C(C=C2)F)F)F)Cl 1 4.013 2 2 -10.8969389086556 2560682 C1=CC(=CC=C1C2=NN(C(=O)O2)CC(=O)O)F 1 1.414 2 4 0 -6.03186054676015 2560609 CCN(CC)S(=O)(=O)C1=CNC(=S)C=C1 1 0.288 2 2 0 -8.67760368419022 2560512 C1C2=CC(=CC(=C2OCO1)CSC3=NC(=CC(=N3)N)N)[N+](=O)[O-] 1 1.765 5 4 0 -8.70000411839591 2560544 C1CN(CCN1CCO)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=C(C=CC(=C4)F)F 1 2.231 5 3 0 -0.706538637126363 2560531 CN1C(=O)C2=CC=CC=C2N3C1=NN=C3CCl 1 1.472 4 1 0 -6.42373973513983 2560490 CC1=C(N(C(=C1C#N)NC(=O)CCl)CC2=CC=CS2)C 1 2.741 3 1 -10.3189247896723 2560470 CCCCCNC1=NC(=CS1)C2=CC=CC=C2 1 3.895 2 0 3.21677940009035 2560451 CC1=C(N(C(=C1C#N)NC(=O)CCl)CC2=CC=CC=C2)C 1 3.001 3 1 -10.7288394359115 2560417 C1=C(C(=C(NC1=O)SCC(=O)O)C#N)C(F)(F)F 1 1.122 2 3 0 -14.2605047600638 2560415 CN(CC1=CC=C(C=C1)C(F)(F)F)C(=O)C2=NC3=CC=CC=C3C=C2 1 4.384 2 1 -1.71930187889326 2560413 C1CCN(CC1)C2=NC3=C(S2)C(=CC(=N3)C4=CC=CC=C4)C(=O)O 1 3.536 3 2 -2.20277314054056 2560409 CC1=CC=C(C=C1)/C=C/S(=O)(=O)N2CCC(CC2)C(=O)O 1 1.477 1 4 0 -5.15111363603541 2560398 CC(=O)NCC1=CC=C(S1)C2=CSC(=N2)N 1 1.186 3 1 0 0.971469636076992 2560387 CN(C)S(=O)(=O)C1=CNC(=S)C=C1 1 -0.409 2 2 0 -6.15060015119529 2560383 C1=CC=C2C(=C1)C(=S)N=C(N2)C(F)(F)F 1 2.816 2 0 -2.56283427420499 2560376 COC1=C(C=C(C=C1)C2=NC3=C(C(=C2)C(=O)O)SC(=N3)N4CCCCC4)OC 1 3.503 3 4 0 -5.4173713957821 2560368 CC1=CC=C(C=C1)NC(=O)NCC2=CC=CC=N2 1 2.08 3 1 -6.69780101408481 2560357 C1CCN(CC1)C2=NC3=C(S2)C(=CC(=N3)C4=CC(=CC=C4)Cl)C(=O)O 1 4.201 3 2 1.95489282692069 2560348 CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)O)C 1 3.939 1 2 -3.78383024689861 2560313 CC1=C(OC2=C1C=CC=C2F)C(=O)O 1 2.746 0 3 4.85722696923828 2560290 C1CC2=C(C(=O)N(C(=O)N2C1)CC3=CC=C(C=C3)C#N)C#N 1 1.327 4 2 0 -10.7506106025758 2560274 CCOC(=O)CCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C 1 1.427 1 6 0 -17.9897237140296 2560263 CC1=C(C(=NC(=O)N1)SCC2=CC=CC3=CC=CC=C32)C(=O)OC 1 3.275 2 3 -13.1134855006896 2560197 C1CC1NC(=O)CNCCC2=CC=C(C=C2)S(=O)(=O)N 1 -5.7e-002 3 3 0 -10.9434148665293 2560168 CC1=CSC(=O)N1CC(=O)OCC2=CC=CC3=CC=CC=C32 1 2.714 1 3 -5.18114165631794 2560156 CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=CC3=CC=CC=C32)C 1 4.617 2 2 -10.8345977090412 2560154 CC1=C(C=C(C=C1)NC(=O)COC(=O)CSC(=S)N2CCOCC2)C 1 3.208 2 4 -15.8871963781653 2560138 C1=CC2=NN=C(N2C=C1)CNC3=C4C=CSC4=NC=N3 1 1.727 6 0 0 -8.53799984379594 2560111 C1CN(CC2=CC=CC=C21)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)Cl 1 5.654 3 0 1.47508228282585 2560024 CC(=O)C1=CC(=C(C=C1)OC2=C3C=CSC3=NC=N2)CN4CCOCC4 1 2.712 3 3 -6.70108309630283 2559972 C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SC4=NN=NN4C5=CC=CC=C5 1 3.384 8 1 0 -20.8510906425104 2559962 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CC(C)CC1=NN=C(S1)NC(=O)CCC2=CNC3=CC=CC=C32 1 3.508 4 1 -14.1040473123471 2555326 CC(=O)C1=CC=C(C=C1)N=C2N(CCCS2)C(=O)C3CCCC3 1 3.693 2 2 -10.796387326419 2555233 CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)C3=CNC4=CC=CC=C43 1 3.207 4 2 -5.02174925503965 2555181 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NN=C(O3)CC4=CSC(=N4)C 1 2.674 8 1 0 -14.8851998766724 2555172 CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=C(C=C(C=C3)F)F 1 3.432 1 3 -8.05749699118322 2555168 C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CC3=CC=CC=C3)C(=O)COC4=CC=CC=C4F)N 1 2.877 4 4 0 -8.14583869118925 2555127 C1COCCN1C2=CC=CC=C2NC(=O)C3=NC=CN=C3 1 0.591 4 2 0 -9.8320225068411 2555125 CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=NOC(=C3)C)C 1 3.24 3 2 -8.36154356307189 2555103 CCC1=NN=C(S1)NC(=O)C2=C(OC(=C2)C)C 1 1.411 3 2 0 -14.3692705382674 2555090 CC1=C(N=C(S1)NC(=O)CN2C=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC 1 3.56 4 2 -7.57073922846766 2555070 COC1=C(C=C(C=C1)S(=O)(=O)N2CCNC(=O)C2)Br 1 0.557 2 4 0 -19.8739738997639 2555054 C1COCCN1C(=O)CCCSC2=NN=C(S2)NC3=CC=CC=C3F 1 2.028 4 2 -16.5736220533278 2555019 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC3=CC=CC=C3O2 1 2.465 4 4 0 -4.47405576549184 2554997 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C(=O)N(C3=O)CC4=CC=CC=C4 1 0.642 5 5 0 -18.5355741128802 2554978 CCC1=C(C=C(S1)C(=O)NC2=CC=C(C=C2)NC(=O)C)C 1 2.987 2 2 -7.25802050513744 2554929 C1=CC=C(C(=C1)CC(=O)OCC(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.463 2 5 0 -15.0463727659984 2554912 CN(CC1=C(C=CC(=C1)Br)OC)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.305 3 4 0 -12.7782564806198 2554885 C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)COC(=O)C3=C(C=C(C=C3)F)F 1 2.298 2 6 0 -7.72856587134054 2554875 CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N 1 0.409 3 4 0 -12.6155994626636 2554820 C1=COC(=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 2.236 3 6 0 -7.06205186666834 2554777 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)O 1 2.406 1 5 -13.3630769516528 2554766 C1CCC(=CC1)CCNC(=O)COC(=O)C2=C(C=C(C=C2)F)F 1 3.483 1 3 -12.105450546019 2554740 C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C2=C(C=C(C=C2)F)F 1 2.455 2 3 -5.98183840801792 2554738 C1=CC(=C(C=C1F)F)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.785 2 3 -3.6881858896558 2554689 C1=CC(=CC=C1C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])F 1 3.047 3 5 0 -7.43012137967071 2554667 CC1=C(SC(=S)N1)CC2=C(C=CC(=C2)Cl)Cl 1 4.802 1 0 0.713985008471626 2554659 C1=COC(=C1)C2=NN=C(N=N2)C3=CC=CO3 1 1.669 4 2 0 2.89358338087254 2554627 C1=CC=C(C(=C1)C(=O)O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 2.599 3 6 0 -7.26148879942876 2554570 COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CN4CCCCC4)OC 1 5.131 4 3 0 -10.8766602751838 2554530 C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)/C=C/C(=O)O 1 4.061 2 2 -2.91713466918031 2554483 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4C 1 4.721 4 0 -0.540139846763704 2554447 CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)C 1 1.968 4 1 0 1.31386864498423 2554437 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC(=CC=C3)F 1 1.411 2 5 0 -7.89505688542479 2554414 COC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)/C=C/C3=CC=CC=C3 1 2.735 2 6 0 -1.14095640519403 2554398 CN1C(=C(C=N1)C(=O)N)NC(=S)NC(=O)C2=CC=C(O2)Br 1 1.506 5 3 0 -11.8659138579739 2554391 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C=C(C=N3)C(=O)C4=CC=CC=C4O 1 1.895 3 6 0 -15.6792942925791 2554360 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)NC3=CC=CC=C3 1 2.587 4 2 -1.37223170768009 2554358 CN(CC1=CC=CS1)C(=O)COC(=O)CNC(=O)N 1 -0.54 3 4 0 -15.9953318323638 2554357 CCNC1=C2C(=CSC2=NC(=N1)CN3CCCCC3)C4=CC=CC=C4 1 4.206 4 0 -0.676058645293118 2554341 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C(=O)O 1 0.695 2 4 0 -22.260762147302 2554303 C1=CC=C(C=C1)COC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)O 1 3.982 1 5 -2.40638725951646 2554293 CC1=NN(C2=NC=C(C=C12)C(=O)C3=C(C=CC(=C3)Cl)O)CCO 1 2.298 3 3 1.99925151324857 2554286 CC(C)CN(CC(C)C)S(=O)(=O)C1=CC(=CC(=C1OC)OC)/C=C/C(=O)O 1 3.395 1 6 0 -8.35975642930884 2554284 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=O)C4=CC=CO4)CN5CCCC5)C 1 3.144 5 2 0 -4.00580032168654 2554278 CCCS(=O)(=O)NC1=C(C=CC(=C1)C(F)(F)F)OCCOC 1 2.408 1 4 -6.3024064241919 2554273 CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)C 1 2.866 4 2 -3.02806556170108 2554270 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=C(C=C(C=C3)F)F 1 2.702 2 3 -6.08956194335993 2554265 CSC1=CC=CC(=C1)NC(=O)NCC2=CC(=CC=C2)CNC(=O)NC3=CC(=CC=C3)SC 1 4.313 4 2 -3.90857490885853 2554254 COC1=CC=CC=C1NC(=O)CN(CC2=CC=CO2)C(=O)C3=CC=CS3 1 2.582 2 4 -17.558575831787 2554237 COC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.356 3 3 -7.9233140109045 2554227 CCCCN1C2=CC=CC=C2C(=NC3=CC=CC4=C3C=CN=C4)C1=O 1 3.8 3 1 5.56148540030108 2554200 CC1=CC(=CC=C1)NC(=O)N2CCCCCC2 1 3.011 2 1 -3.51493841328341 2554179 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3=C(C=C(C=C3)F)F 1 2.932 3 2 -4.31157582825035 2554151 CN(C)C1(CCCCC1)CNC(=O)NC2=CC=CC=C2 1 2.799 3 1 -5.44857084441551 2554128 CCC1=NN=C(S1)NC(=O)NC(C)(C)C 1 1.279 4 1 0 -16.6798811844359 2554112 CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.042 3 5 0 -10.2355654913134 2554111 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.091 4 4 0 -10.5613835963005 2554107 COC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.369 4 3 0 -15.8990956643439 2554096 CC(C)(C)C1=CSC(=N1)NC(=O)NC2=CC=CC=C2OC 1 3.332 3 2 -7.84917757904513 2554029 C1CC(=O)N(C1)C(=O)COC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 2.543 1 4 -9.77216914651501 2554025 CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)CN2C3=CC=CC=C3N=N2 1 2.146 5 3 0 -16.4972432618597 2554024 CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C(C=C(C=C2)F)Cl 1 3.53 1 4 -9.07469460150944 2554018 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3OC 1 2.95 5 3 0 -6.49300672868064 2553980 C1CC1NC(=O)COC(=O)C2=CC=CC=C2OC3=CC=CC=C3 1 2.795 1 4 -9.84674549170619 2553976 COC1=CC=C(C=C1)NC(=O)COC(=O)CC2CCCCC2 1 3.013 1 4 -9.88600743380563 2553973 C1CC1C2=NN=C(S2)NC(=O)CCNS(=O)(=O)C3=CC=CC=C3F 1 1.323 4 3 0 -17.6457950179535 2553947 CCOC(=O)C1=C(NC(=C1C)C(=O)OCCOC2=CC=CC=C2C)C 1 4.024 1 5 -9.753809495192 2553946 C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2 1 4.014 1 3 -11.8281288448122 2553943 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)NC3CC3 1 2.648 1 5 -2.64375211210525 2553941 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)NC(=O)NC 1 1.938 2 6 0 -1.39398306054561 2553925 CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4(CCCCC4)NC3=O 1 3.954 4 3 0 -0.291571364657947 2553889 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2CC2 1 1.791 1 4 0 -13.6123621430678 2553879 C1CN(CCN1C(=O)CCCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CS4 1 2.855 3 3 -21.5677836371387 2553868 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)Cl 1 2.564 2 5 0 -20.3530128023872 2553852 C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.267 3 5 0 -16.5004160213561 2553847 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C 1 2.784 4 4 0 -15.1375348764202 2553837 CC1=C(SC2=NC=NC(=C12)OCC(=O)NC3=CC(=CC=C3)OC)C 1 2.886 3 3 -5.75946059372409 2553774 C1CCCN(CC1)CC(=O)NC2=CC=CC(=C2)C#N 1 2.208 3 1 -6.49629188076526 2553777 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4O)Cl 1 3.786 3 4 0 -12.5565679860096 2553780 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)Br 1 2.648 2 5 0 -20.7162949544886 2553781 COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.421 1 6 0 -13.9312241399287 2553782 C1CCC(CC1)CNC(=O)CCNC(=O)C2=CC=CC=C2 1 2.534 2 2 -17.0035803895296 2553784 C1CCC(CC1)CNC(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 2.237 2 3 -16.9805411297679 2553785 CC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.385 2 5 0 -24.7397042689663 2553789 CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.385 2 5 0 -22.175011492974 2553831 C1CN(CCC1NC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)CC4=CC=CC=C4 1 1.001 4 3 0 -1.61531649138888 2553821 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)Cl 1 2.564 2 5 0 -19.4261422362685 2553817 C1CCC(CC1)CNC(=O)CNS(=O)(=O)C2=CC(=CC=C2)Br 1 2.738 2 3 -13.3907653379348 2553811 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3 1 1.899 2 5 0 -22.3316656313473 2553796 CCOC1=CC=CC=C1C(=O)NCC(=O)NCC2CCCCC2 1 2.619 2 3 -16.0627830451233 2553766 CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.385 2 5 0 -20.2873659396449 2553762 C[C@@H](C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC3=NS(=O)(=O)C4=CC=CC=C43 1 1.877 3 8 0 -11.9507124229574 2553742 CN(CC(=O)NC1=CC=CC=C1C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3Br 1 3.859 3 2 -1.05732027168007 2553721 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC(=CC=C3)OC 1 3.542 3 2 -9.5105529150789 2553651 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)OC3=C(C=C(C=C3)C(=O)C)OC 1 3.544 2 5 0 -14.1611172485247 2553649 CN(CC1=C(C=CC=C1Cl)F)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.987 3 3 -20.3522902682397 2553642 C1CN(CC=C1C2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F 1 3.863 3 1 -3.00781063203726 2553582 C1CCN(C1)CC(=O)NCC(=O)NC2=CC=C(C=C2)F 1 0.682 3 2 0 -10.0960525856298 2553567 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)F 1 2.105 2 5 0 -20.3840058273435 2553501 C1=CC=C(C(=C1)C(=O)NCC2=CC=NC=C2)OCC(=O)NC3=CC=C(C=C3)Br 1 2.839 3 3 -12.3955915642182 2553472 CC1=CC(=C(C=C1Cl)OC)NC(=O)CCNC(=O)C2=CC=CO2 1 2.452 2 4 -14.6090409513811 2553460 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C)CSC4=CC=CC=C4)C 1 4.416 4 0 0.796741490428089 2553438 CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.718 2 5 0 -13.4458444353436 2553426 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C4=CC=CC=C4O3)COC 1 3.366 5 4 0 -0.89467497664606 2553321 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN2CCC(CC2)C(=O)N 1 0.811 4 4 0 -6.3940722831884 2553295 CN1C2=CC=CC=C2SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 3.188 3 3 -14.3763879559246 2553288 CC1=CC(=NO1)NC(=O)CSC2=NN=C(S2)NC3=CC=CC=C3OC 1 2.059 5 3 0 -23.8078156940828 2553282 COC1=CC=CC=C1C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2 1 2.092 2 5 0 -12.4955437860548 2553259 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.429 5 5 0 -12.8018231586288 2553157 C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=NC=CN=C3 1 0.493 3 4 0 -10.6083265631042 2553149 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=C(N(C(=C3)C)CCOC)C)C 1 3.055 3 4 0 -18.5940757013738 2553136 COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)Cl)N3CCCC3 1 3.92 2 2 -2.76619479917671 2553133 C1CN(CCN1C(=O)C2=CNC(=O)C=C2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl 1 1.241 3 4 0 -16.8277806216792 2553127 CC1(C(=O)NC2=CC=CC=C2N1C(=O)CN3C(=O)C4=CC=CC=C4C3=O)C 1 1.306 3 4 0 -13.2750337243086 2553103 C1=CC(=CC(=C1)C(F)(F)F)/C=C/C(=O)OCC(=O)NCC2=CC=C(C=C2)F 1 3.944 1 3 -4.32515259065261 2553085 COC1=CC(=CC(=C1OC)OC)/C=C\C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.737 3 6 0 -21.2991032971948 2553083 CCOC1=C(C=CC=N1)C(=O)OCC2=CC(=O)N3C4=CC=CC=C4SC3=N2 1 3.373 3 4 0 -13.643105443337 2553080 CCOC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=CN2 1 2.047 2 4 -11.6937292181139 2553042 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC3=NC=NC4=CC=CC=C43)C 1 2.355 4 3 0 -8.4779699939604 2553037 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N(CC3=CC=CC=C3)C(C)(C)C 1 3.005 3 3 -8.58938983139579 2553024 C1CC1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)COC4=CC=CC=C4Cl 1 2.739 5 4 0 -21.9004584463279 2553004 CC1=NC=C(N=C1)C(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C 1 0.539 4 4 0 -19.4763836587512 2552995 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)N 1 1.007 3 6 0 -15.7703763936294 2552986 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N3CCC4=CC=CC=C43 1 1.958 3 4 0 -16.4977557187731 2552965 CC1=CC=C(C=C1)C2=C(N=C(S2)C3=CC=CC=C3)CC(=O)NC4=CC=CC(=C4)C(=O)OC 1 5.61 2 3 -0.80526409431882 2552959 CCC1=CC(=CC=C1)OCCOC(=O)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 2.143 2 6 0 -13.3234725327266 2552908 CC(=O)NC1=CC=C(C=C1)NC(=O)COC2=CC=CC3=C2OC(C3)(C)C 1 2.211 2 4 -11.8104220469149 2552899 COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC 1 2.647 1 7 0 -10.2806815669588 2552887 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4=CC=CO4)C 1 3.182 2 4 -3.51873558104782 2552855 CC1=C(C(=NN1CC(=O)N2CC(=O)NC3=CC=CC=C32)C)[N+](=O)[O-] 1 0.451 5 4 0 -14.7052026830508 2552849 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl 1 1.009 3 6 0 -19.9522687432229 2552847 C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC(=CC(=C3)F)F 1 2.037 2 2 -10.9316746797668 2552834 COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)F)F)Cl 1 3.673 1 2 -4.10052527235276 2552807 CN1C=CSC1=NC(=O)C2=CC=C(C=C2)OC(F)(F)F 1 3.831 2 2 -7.72462110367648 2552802 CN1CCC2=C(C1)SC(=N2)NC(=O)C3=CC(=CC=C3)OC(F)F 1 2.785 3 2 -5.36051289981954 2552763 C1CCC(C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)F 1 2.82 1 3 -7.42249804477597 2552750 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=CN3C4=CC=CC=C4OC 1 2.647 7 4 0 -20.9815362648436 2552723 CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)OC 1 3.723 3 5 0 -17.3697686285903 2552718 CC1=CC=C(S1)C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32 1 1.432 2 4 0 -15.823784555666 2552713 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.533 2 6 0 -20.7056873585528 2552702 C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=N3)[N+](=O)[O-] 1 2.029 2 6 0 -6.97587439409902 2552700 COC1=CC=C(C=C1)NC(=O)COC(=O)COC2=CC=C(C=C2)Br 1 2.889 1 5 -9.02358164332554 2552695 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC3=C(S2)CCC3 1 3.281 1 4 -19.125166687526 2552655 CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=C(C=C(C=C2)F)Cl 1 3.259 1 3 -4.9718866169035 2552605 C1=CSC(=C1)C2=CSC3=C2C(=O)N(C=N3)N=CC4=CC=C(C=C4)OCC(=O)O 1 3.325 3 4 0 -9.09114513972526 2552529 C1=CSC(=C1)CNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)F 1 2.742 1 3 -11.5581732710188 2552513 CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl 1 2.961 3 4 0 -18.7154603515286 2552495 CN(CC1=CC=CS1)C(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.823 2 5 0 -18.1794582341702 2552472 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.253 5 4 0 -13.2152792165319 2552458 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4C=NN=N4 1 1.729 7 2 0 -20.3240818851922 2552423 CN(C)C1(CCCCC1)CNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 2.752 3 5 0 -13.1139689628819 2552419 CN(C)C1(CCCCC1)CNC(=O)C2=CC(=C(C=C2OC)OC)OC 1 2.842 2 4 -12.4013781464966 2552412 COC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)N=CN3 1 2.12 3 2 -9.63951622650047 2552402 CCC1=C(C(=NO1)C)C(=O)NC2=CC3=C(C=C2)OCO3 1 1.931 2 4 0 -11.0061421850758 2552345 COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=CO3 1 1.789 3 6 0 -18.0584472512398 2552341 CC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)F 1 1.437 3 4 0 -12.224926014597 2552309 CC(C)CCNC(=O)C1=C(C=CC(=C1)OC)Br 1 3.35 1 2 -10.6768304289707 2552284 C1CCC(CC1)CCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.19 2 5 0 -16.6490381207443 2552270 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3 1 1.919 3 5 0 -18.8045574507102 2552244 CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)CC(F)(F)F)C 1 3.801 3 2 -14.8686283581123 2552237 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.894 4 5 0 -31.9769404433825 2552230 C1CCC(CC1)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)N 1 1.513 3 4 0 -13.1421675865067 2552185 CN(CCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CN=C(C=C2)Cl 1 2.541 2 4 -9.44110177527919 2552175 C1CN(CC=C1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C=NN=N4 1 2.217 5 1 -17.8427001086058 2552172 C1CN(CCN1C2=CC=CC=C2F)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.369 2 3 -7.06648267380351 2552154 CCOC(=O)NC(=O)CSC1=NC2=C(C=C(C=C2C(=C1)C)C)C 1 4.391 2 3 -6.62812980872574 2552123 CC1=NN(C(=C1C=NNC(=O)CNC2=CC=CC(=C2)C(F)(F)F)Cl)CC3=C(C=C(C=C3)Cl)Cl 1 5.589 5 1 -3.02449352990592 2552097 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CC=C2F 1 2.899 3 2 -14.7118976330963 2552034 CC1=C(SC(=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl)NC(=O)C)C 1 2.05 2 6 0 -20.6372110487446 2552001 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)/C=C/C3=CC=CC=C3 1 1.165 2 4 0 -7.37390574241371 2551998 C1CCCC2(CCC1)C(=O)N(C(=O)N2)CC(=O)NCC3=CC=CS3 1 2.269 3 3 -14.6262460648137 2551988 C1CCC(C1)NS(=O)(=O)C2=CC=CC=C2Cl 1 2.807 1 2 -8.66922991659225 2551971 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NN=CN3C 1 2.906 4 1 -15.7362218498194 2551912 C1=COC(=C1)/C=C/C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.189 2 4 0 -11.6743360227657 2551904 CCC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC2=C(C=CS2)C#N)CC 1 0.897 4 5 0 -15.4870933120745 2551869 CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NCCC3=CCCCC3 1 5.456 2 1 -12.0784377810281 2551741 CC1=NC2=CC=CC=C2C(=C1)C(=O)NNC(=O)C3=CC=C(C=C3)OC 1 2.324 3 3 -6.82741354867565 2551711 CC1=C(C(=NO1)C)C(=O)N(CC2=CC=CO2)CC(=O)NC3=CC=CC=C3Br 1 2.276 3 4 0 -17.5228848272886 2551687 CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC3=C(C=C2)OCCO3 1 2.989 2 4 -14.4785236593081 2551679 CC(C)(C)C1=NN=C2N(C1=O)N=C(S2)SCC(=O)NCC3=CC=CC=C3OC 1 3.972 5 3 0 -18.312570014725 2551678 CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5F 1 5.713 3 2 -12.2088124962048 2551673 CCNC(=O)COC1=C(C=C(C=C1)F)C(=O)C2=CN(N=C2)C3=CC=CC=C3 1 3.058 3 3 -4.91101637083609 2551651 CCN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)CC(=O)NC(C)(C)C 1 1.146 4 3 0 -13.3675302526132 2551646 CCOC1=C(C=C(C=C1)C(=O)C)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.221 1 5 -4.69457609436415 2551640 CC1=CC(=C(N1C)C)C(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 2.276 3 3 -7.24406928081203 2551637 C1=CC=C(C=C1)CNC(=O)NC(=O)CSC2=CC=CC=C2 1 2.795 2 2 -8.34805958166317 2551625 COC(=O)CCN1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Br 1 1.608 2 4 0 -17.0788831237467 2551606 C1COC2=C(O1)C=CC(=C2)CCNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.287 2 5 0 -8.3443103361997 2551601 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 1.87 4 5 0 -17.1720530235156 2551574 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2=NC=C(C=C2)Cl)O 1 2.584 2 5 0 -2.19393756141643 2551564 CC1=CC=C(O1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.263 3 6 0 -19.5188711873242 2551561 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C 1 2.509 2 5 0 -22.7831473647126 2551535 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=CC=C(C=C3)NC(=O)C 1 3.061 4 2 -11.6130772256585 2551523 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 1.696 4 4 0 -20.5544277311461 2551521 COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 1.936 2 5 0 -19.2918993171023 2551511 CCN(CC(=O)NC(C)(C)C)C(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O 1 2.26 2 5 0 -15.2238566080377 2551494 COC(=O)C1=CC(=CC(=C1)C(=O)NCC2CCCCC2)[N+](=O)[O-] 1 2.976 2 5 0 -12.6109414011643 2551480 C[C@@H](C(=O)NCC1=CC=CS1)NC(=O)C2=CC=CC=C2Cl 1 2.57 2 2 -15.8604017804819 2551446 C1CN(C2=CC=CC=C21)C(=O)COC(=O)CNS(=O)(=O)C3=CC=CC=C3Br 1 2.113 2 5 0 -19.2379774751286 2551439 CC1=CC=NC2=NC(=NN12)C(=O)OCCOC3=CC=C(C=C3)OC 1 2.096 4 4 0 -12.4643095730391 2551437 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=C(N=CC=C2)SC 1 2.628 2 4 -17.6077087057695 2551425 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)C 1 2.682 4 4 0 -26.968592524696 2551410 CC1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)C(=O)N(C2=O)C3CCCC3 1 1.838 3 5 0 -13.0135507336811 2551403 CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3OC2=O 1 3.297 2 4 -11.297966414315 2551384 CCCN1C(=C(C(=O)NC1=O)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)N 1 -8.6e-002 5 5 0 -20.5397644510663 2551370 CC1=C(C(=NO1)C)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.945 2 5 0 -21.9387452015858 2551342 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 1.988 3 4 0 -17.0319448218176 2551337 CC1=CC(=NO1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N(C)C3=CC=CC=C3 1 2.154 3 6 0 -25.0212164922938 2551329 C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)C3=CC(=CC=C3)Br 1 1.398 3 8 0 -14.2666243199149 2551325 CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 2.038 7 4 0 -15.0707328773852 2551321 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=CC=C2OC 1 2.173 1 6 0 -13.7455861745526 2551302 CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C=C(C=C(C3=O)Cl)C(F)(F)F 1 3.253 1 3 -1.42250036278098 2551265 CC1=CC(=C(C=C1Cl)OC)NC(=O)CN2CCCCCC2 1 3.464 2 2 -7.38841263491251 2551262 CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=C(ON=C2C)C)Br 1 2.438 2 4 -13.6755167708483 2551249 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C(F)(F)F 1 2.468 4 1 -11.7232226663958 2551242 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3 1 2.192 7 3 0 -20.5117538557118 2551235 CC1=CC(=NO1)NC(=O)CN(C)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 1.348 4 3 0 -14.6154107623305 2551219 CC1=C(C(=NO1)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)OC)OC 1 1.171 2 6 0 -18.1329734767052 2551192 C1CN(CCN1C(=O)CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CS3 1 2.519 2 3 -21.5328232424166 2551171 CC1=C(C=C2C(=C1)C(=CO2)CC(=O)NC3=NN=C(S3)C4CC4)C 1 3.417 3 2 -9.51357176942928 2551152 CC1CCC(CC1)NC(=O)CCCOC2=CC=C(C=C2)C(=O)C 1 3.292 1 3 -15.8874745701488 2551149 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)NC(=O)C2=CC=CN2C)C 1 2.085 3 6 0 -21.3513891683383 2551138 CC(C)(C)CC(=O)N[C@@H](CC1=CC=CC=C1)C2=NC3=CC=CC=C3N2 1 4.287 3 1 -5.11809958341299 2551104 C1=CC2=C3C(=C1)N(S(=O)(=O)C3=CC=C2)CC(=O)NC(=O)N 1 0.235 3 4 0 -3.78391532955787 2551059 CC1=C(C2=CC=CC=C2N1)C(=O)CN3CCC(=CC3)C4=CC=CC=C4 1 4.101 2 1 -2.74907607772948 2551040 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC=C(C=C3)NC(=O)C 1 2.096 4 4 0 -12.2271691206269 2551017 CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-] 1 1.21 3 8 0 -22.2252789527501 2551014 CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=CC(=CC=C2)Cl 1 3.337 2 3 -15.210336272677 2550997 CC1=CC=C(O1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 1.63 1 6 0 -8.83510453744545 2550964 C1=CC(=CC=C1N2C(=NN=N2)SCC(=O)NC3=C(C=CS3)C#N)O 1 1.86 6 2 0 -23.2131794064295 2550922 COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)C3=CC4=C(C=C3)OCCO4)OC 1 2.514 4 5 0 -7.50610639974067 2550920 CC(C)NC(=O)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2S1 1 2.839 3 4 0 -19.5663940610539 2550919 CCC1=CC=CC2=C1NC=C2C(=O)CN3N=C(N=N3)C4=CC(=C(C=C4)OC)OC 1 3.964 5 3 0 -2.70551549040098 2550882 CC1(C(=O)NC2=CC=CC=C2N1C(=O)CN3C(=O)C(=O)N(C3=O)C4CCCC4)C 1 1.176 4 5 0 -16.870189191397 2550878 CC1=CC=C(C=C1)C2=NN(N=N2)CCOC3=CC=CC=C3C(=O)C 1 3.363 4 2 -3.65752177523233 2550870 CNC(=O)CSCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC 1 0.97 4 3 0 -21.7466684030551 2550860 CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC(=CS3)C4=CC=CC=C4)C 1 3.76 3 2 -14.9794375475178 2550857 CC1=C(C(=CC=C1)NC(=O)CNC(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-])C 1 2.582 3 5 0 -11.4538476681839 2550852 CCOC1=C(C=CC(=C1)C(=O)CCC(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)O 1 2.175 2 7 0 -16.6272244896956 2550807 C1=CC=C(C(=C1)CC(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 2.922 2 5 0 -13.9362511008768 2550802 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN(C)CC(=O)NC3=C(C=CC(=C3)Cl)OC 1 1.333 5 4 0 -16.9184695315516 2550787 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 2.109 1 6 0 -12.4060546779767 2550784 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CC=C(O3)Br 1 2.972 1 5 -5.96446708779558 2550778 C1CCCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 3.725 3 2 -14.15229917751 2550771 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CO2 1 0.837 2 5 0 -10.3005348865494 2550769 CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)SC)Cl 1 4.153 1 2 -5.18952797074547 2550766 CC1=C(C(=CC=C1)C)NC(=O)CN(C)CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 4.125 3 3 -8.84899500814739 2550764 C1=CC(=CC=C1C2=NN=CO2)OC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.684 3 2 10.0887836992351 2550761 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2=CC=C(C=C2)C(F)(F)F 1 2.599 3 3 -5.64323708840481 2550718 CC1=CC(=C2C(=C1)SC(=N2)NC(=O)[C@H](C(C)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C 1 3.404 4 5 0 -29.3133967871149 2550715 CC(=O)C1=CC(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC(=C2)C(=O)C 1 1.105 2 5 0 -15.7691628944019 2550708 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CSC2=NN=NN2C3=C(C=CC(=C3)C)C)N 1 2.141 8 3 0 -26.2087567211093 2550707 COC1=CC=C(C=C1)CCNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.255 1 2 -3.04208055537785 2550704 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)N 1 2.023 4 6 0 -8.36463013917828 2550689 CC1=CC(=NC2=NC(=NN12)C(=O)NCC3=CC(=CC=C3)C(F)(F)F)C 1 2.641 5 1 -9.41939067905022 2550668 CC1=CN=C(S1)NC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 2.199 2 4 -11.5667123992897 2550657 CSC1=C(C=CC=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC4=CC=CC=C4 1 4.73 3 2 -6.55446029072373 2550637 CC1=CC(=C(C=C1)C)NC(=O)CN2C(=O)CNC2=O 1 0.654 3 3 0 -11.5954575783072 2550621 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CC3=CC(=CC=C3)OC)OC 1 3.544 2 4 -3.78867323556693 2550616 C1CN(CCN1C(=O)C2=CC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CS4 1 2.209 2 4 -11.4999407928449 2550604 CCC(CC)C1=NN=C(S1)NC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3Cl)C 1 4.717 5 1 -15.2425674930242 2550597 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O)C 1 1.932 3 5 0 -23.0213691223995 2550594 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 2.55 5 3 0 -5.68210797191861 2550589 COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)F)S(=O)(=O)N3CCCC3 1 3.13 2 4 -16.9802396404593 2550558 CC1=CC(=C(C=C1)C)OCC(=O)NNC(=O)C2=CNC(=O)C=C2 1 0.485 3 4 0 -12.4480513778743 2550541 CCNC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2 1 2.74 1 2 -3.74796668086175 2550508 CC1=CC(=NC2=NC(=NN12)SCC3=CC(=CC=C3)OC)C 1 3.435 4 1 -10.4069735770966 2550419 CCCN(CC(=O)NC1=C(C=C(C=C1)Cl)Cl)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 4.443 3 4 0 -9.87898465464495 2550370 C1=CNC(=C1)C(=O)COC2=C(C=C(C=C2)Br)Cl 1 3.867 1 2 0.78727016433119 2550364 CC1=CC=CC=C1N2C(=NN=N2)SCC3=NC=C(O3)C4=CC=CC=C4 1 3.77 5 1 -12.7815125347695 2550352 C1CCCN(CC1)C(=O)CN2N=C(N=N2)C3=CC(=CC=C3)C(F)(F)F 1 3.086 5 1 -1.36842068357554 2550345 C1CN(CC2=CC=CC=C21)C3=NS(=O)(=O)C4=CC=CC=C43 1 2.484 2 2 -4.32243892828363 2550328 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CN3C 1 2.558 6 2 0 -6.12211181960429 2550282 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2=CC=CC=C2Cl 1 3.191 2 4 -9.37499029021985 2550244 CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CSC=C3 1 2.656 2 1 -6.94857927107378 2550214 COC1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 2.182 2 6 0 -21.1228314076708 2550173 C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 1.998 2 6 0 -14.5696520569407 2550161 C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)N=CS4)F 1 4.044 4 1 -17.87833812684 2550157 CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.484 2 6 0 -14.3156036920425 2550156 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC3=C4C=CSC4=NC=N3 1 2.59 4 2 -1.62620357033763 2550146 CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC=CC=C3N4CCOCC4)CC5=CC=CC=C5Cl 1 4.676 4 2 -11.8431360198109 2550138 CC1=C(NC(=C1C(=O)C)C)C(=O)NCCC2=CC=C(C=C2)OC 1 2.683 2 3 -8.75703247480701 2550132 CC1=CC=C(C=C1)C2=C(N=C(S2)C3=CC=CC=C3)CC(=O)NC4=CC=CC(=C4)NC(=O)C 1 4.875 3 2 7.86400943889816e-002 2550125 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC(=O)CNC(=O)C3=CC=CC=C3F)C)C 1 3.192 2 4 -5.14305147498603 2550105 CC(C)CNC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1 1 3.587 3 2 -16.2497410794062 2550098 COCCNC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1 1 2.264 3 3 -18.7276001853782 2550066 CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.491 2 6 0 -18.259926774953 2550062 CC(C)(C)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1 1 3.326 3 2 -17.2258188833376 2550059 CN(CCC#N)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1 1 2.58 4 2 -17.4102422543745 2550055 COC1=C(C=C(C=C1)CCNC(=O)CN2C=NC3=CC=CC=C3C2=O)OC 1 1.888 3 4 0 -17.9547322989517 2550042 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 2.054 4 4 0 -9.17111064900519 2550041 C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=C(C=CC(=C2)Cl)Cl 1 4.892 1 1 -1.98602210562046 2550034 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2C=CC(=N2)C(F)(F)F 1 2.365 4 4 0 -11.5697615308523 2549985 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CN=C(C=C3)OC 1 2.811 2 3 -6.27551319190097 2549966 CCC(CC)NC(=O)CC1=CC=C(S1)S(=O)(=O)N2CCOCC2 1 1.729 2 4 0 -19.5423368270518 2549953 C1CCC(CC1)(CNC2=C3C=CSC3=NC=N2)N4CCOCC4 1 3 4 1 -3.31392377098913 2549945 CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 3.71 3 2 -20.8641305769097 2549936 C[C@@H](C(=O)N1CCCN(CC1)C)NC(=O)CC2=CC=CC3=CC=CC=C32 1 1.75 3 2 0 -9.5037711514041 2549913 C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NN=NN3C4=CC=C(C=C4)O 1 3.191 7 2 0 -25.9107217166825 2549911 C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.373 2 3 -9.23666288831351 2549899 CC1=CC=CC=C1OCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.348 2 6 0 -14.4242165827633 2549898 COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 1.754 4 4 0 -26.0904412634682 2549893 CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C 1 1.42 2 3 0 -12.1990618331267 2549879 CC1=CSC(=N1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.27 3 3 0 -11.3955358214955 2549871 CN(CC(=O)NCC1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)F 1 2.401 2 3 -12.6541886933062 2549851 CC1=CC=C(S1)C(=O)OCC(=O)C2=CC=CN2 1 2.425 1 3 -7.37206634497495 2549829 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N2CCCC3=CC=CC=C32 1 0.941 3 6 0 -19.694269829889 2549803 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC=NC4=C3C=CS4 1 1.467 6 3 0 -14.7864216712081 2549799 CC(=O)N1CCN(CC1)C2=NN=NN2C3=CC=CC=C3 1 1.7e-002 6 1 0 -9.40507860242254 2549797 CC1=NC(=C2C(=CSC2=N1)C3=CC(=C(C=C3)OC)OC)N4CCN(CC4)C(=O)C 1 2.471 4 3 0 -6.54353140501519 2549796 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)CNC3=O 1 -0.619 4 5 0 -24.9608950768837 2549763 C1CN(CC2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.319 3 3 0 -13.9725374429479 2549745 CC(=O)NC1=CC=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.58 4 1 4.77268844423679 2549728 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCN3C(=O)C4=CC=CC=C4N=N3 1 2.45 4 5 0 -23.8974457435178 2549726 C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)SCCO 1 2.399 3 1 0.948833539284569 2549718 CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)C5=CN=CC=C5)C 1 4.218 5 3 0 -16.7116299962579 2549706 CC(=O)C1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.696 3 2 3.47876823685366 2549699 CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CN3C=NN=N3)C(C)C 1 2.141 4 4 0 -21.0566342383282 2549697 CC(=O)C1=CC(=C(C=C1)OC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)OC 1 1.306 2 6 0 -21.3721876511701 2549650 CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)C 1 3.958 3 2 -3.90506806846094 2549639 CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=C(C=C(C(=N3)C)Cl)Cl 1 5.219 3 1 -2.33646067385795 2549596 CCN(CC1=CC(=O)N2C=CSC2=N1)CC(=O)NCC3=CC=C(C=C3)Cl 1 1.841 4 2 0 -18.0411285054687 2549580 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4 1 2.605 5 3 0 -14.8880071478121 2549551 C1CC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5 1 4.609 5 2 0 -24.1868490422222 2549536 COC1=C(C=CC(=C1)SC)C(=O)NCC2CCCCC2 1 3.752 1 2 -5.70381569845521 2549530 CCOC1=CC=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br 1 3.003 2 3 -12.8889788740919 2549505 COCCNC1=NN=C(S1)SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4 1 3.527 6 2 0 -16.9358097540307 2549501 CCC(C)(C)NCC(=O)NC1=CC=C(C=C1)OC(F)(F)F 1 3.995 2 2 -5.33534775518335 2549475 CC(C)(C)C1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 3.848 2 4 -2.99577003690324 2549470 C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)COC(=O)C4=CC(=CC=C4)O 1 3.41 2 4 -7.95715203570497 2549467 CC(=O)C1=CC=CC=C1OCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 2.187 2 5 0 -10.578922583183 2549464 C1=CC=C2C(=C1)C(=NN(C2=O)CCOC3=C(C=CC=C3Cl)Cl)C(=O)O 1 3.776 2 4 -4.091518331511 2549422 CN(CC(=O)NC1=CC=C(C=C1)C(=O)N)CC(=O)NC2=CC=CC=C2Cl 1 1.259 4 3 0 -9.31070147775439 2549410 CCN(CC(=O)NC1=CC=CC=C1OC)CC(=O)NC2=C(C=CC(=C2Cl)C)Cl 1 3.74 3 3 -7.71556148326384 2549377 CN(CC(=O)NC1=CC(=C(C=C1)OC)Cl)CC(=O)NC2=CC=CC=C2SC 1 2.782 3 3 -11.7111326562803 2549282 C1CC2=NC3=C(C=CC(=C3)C(=O)OCC4=CC(=CC=C4)F)C(=O)N2C1 1 2.934 2 3 -10.2870364905193 2549278 CN(CC(=O)NC1=CC(=C(C=C1)OC)Cl)C2CCCCC2 1 3.462 2 2 -8.94593926567564 2549233 C1CC1NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Br 1 2.451 1 3 -6.17424094887872 2549212 CN(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])CC(=O)NC2=CC(=CC=C2)F 1 1.692 4 4 0 -5.61642197285489 2549186 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)CN2CCOCC2 1 0.219 5 4 0 -14.1874037132873 2549182 CC1=C(SC2=NC=NC(=C12)OCC(=O)N3CC(=O)NC4=CC=CC=C43)C 1 1.915 4 3 0 -12.96659577278 2549126 CCCOC1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 3.303 2 5 0 -6.3102358132968 2549123 C1CN(CCN1C2=NC=CC=N2)C(=O)CC3=COC4=C3C5=CC=CC=C5C=C4 1 2.242 4 2 -2.56569999593008 2549050 CC(=O)NC1=CC=CC=C1OCC(=O)NCCC2=C(C=C(C=C2)Cl)Cl 1 3.227 2 3 -13.9626095188086 2549015 CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.482 1 6 0 -12.6181127564921 2548995 COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-] 1 2.447 3 6 0 -8.56188617206075 2548958 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC=CC(=C3)C(=O)C 1 3.77 2 3 -14.8196036967636 2548953 CC1=C(C=C(C=C1)NC(=O)CC2=CSC(=N2)C3=CC=CC=C3)F 1 4.15 2 1 -0.311060948977689 2548916 COC1=CC=CC(=C1OC)/C=C/C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 3.669 1 5 -3.11373432191159 2548893 C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)NCCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.601 3 5 0 -19.6971421619185 2548891 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NCC2=CC(=C(C=C2)OC)OC 1 3.048 2 4 -15.296583282768 2548881 CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)C3=CC4=C(C=C3)OCCO4 1 3.311 4 4 0 -19.1667655550549 2548868 CN(CC1=CC=CC=C1OC)CC(=O)NC2=CC=CC3=CC=CC=C32 1 3.432 2 2 -6.49526630938958 2548802 CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC(=O)C3=CC=CN3C 1 3.341 5 2 0 -14.2804817406757 2548793 C1=CC=C(C=C1)OCCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.723 3 4 0 -23.5191249866462 2548788 CN(CC1=CC(=C(C=C1)OC)OC)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.489 4 2 0.935555698322197 2548701 C1=CC(=CC=C1C(=O)OCC(=O)NC(=O)N)OC(F)(F)F 1 2.439 2 5 0 -6.16731934462884 2548699 C1CC2=CC=CC=C2N(C1)CC(=O)NCCC3=CC=C(C=C3)F 1 3.693 2 1 -15.7329482337394 2548696 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5 1 4.356 4 3 0 -22.566802868565 2548695 C1CCCN(CC1)CC(=O)NC2=C(C=C(C=C2)Br)Br 1 3.826 2 1 -4.35314758315364 2548692 CC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCCCC2 1 2.069 2 2 -8.31051118110569 2548686 CN(CC(=O)NC1=CC=C(C=C1)Br)CC(=O)NC2=CC(=CC=C2)OC 1 2.324 3 3 -4.34718002328901 2548672 CC1=CC(=NC2=NN=C(N12)SCC(=O)NC3=NOC(=C3)C)C 1 1.643 6 2 0 -26.357570109337 2548649 CC1=C(C=C(C=C1)NC(=S)N(C)CC2=CC(=CC=C2)OC)C 1 5.587 2 1 -4.80015190399039 2548636 CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)C 1 1.421 5 3 0 -18.709808900208 2548635 C1CC2=CC=CC=C2N(C1)CC(=O)NCCC3=CC=C(C=C3)Cl 1 4.152 2 1 -14.6228265686179 2548632 CN(CC(=O)NC1=C(C=C(C=C1)Cl)F)CC(=O)NC2=CC=CC=C2SC 1 3.004 3 2 -7.5356673196163 2548612 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCCOC2=CC=CC(=C2)C)C 1 4.024 1 5 -9.00038498947912 2548581 C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCC5)C(=O)N2CC1 1 2.565 4 4 0 -25.9019330413747 2548580 C1=CC=C(C=C1)OCC(=O)NCC(=O)NCCC2=CC=CC=N2 1 0.829 3 3 0 -15.4268028319286 2548577 CC1=CC=C(S1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.291 2 3 -17.1447246609398 2548532 CCN(CC(=O)NC1=CC(=CC=C1)OC)CC(=O)NC2=CC=CC3=CC=CC=C32 1 2.833 3 3 -7.1156059115238 2548470 CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F 1 4.647 2 4 -8.99208418652768 2548450 CN(CC(=O)NCCC1=CC=C(C=C1)F)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.743 3 2 -10.3361390178827 2548444 CC1=C(C(=C(C=C1)Cl)NC(=O)CN(C)CC(=O)NC2=C(C(=C(C=C2)F)F)F)Cl 1 4.024 3 2 -3.95651209559058 2548441 CC1=NC(=CS1)C2=CC3=C(C=C2)OCO3 1 2.261 1 2 3.45060329077991 2548412 C1=CC=C2C(=C1)N=C(S2)CCC(=O)NC3=CC=C(C=C3)C#N 1 3.053 3 1 -8.34407845734578 2548407 C1=CNC(=O)C(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F 1 1.93 2 6 0 -15.1208176830831 2548349 COCCNC1=NN=C(S1)SCC(=O)C2=CC3=C(C=C2)OCO3 1 1.616 3 4 0 -16.3159163535337 2548319 C1CCC(CC1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.489 2 5 0 -12.6784922317226 2548285 C1C(=O)N(C(=O)S1)CCNC(=O)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)Cl 1 3.036 5 3 0 -15.834370429561 2548280 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(O3)CC4=CC=CC=C4 1 2.658 3 4 0 -24.6524310520201 2548277 C1=CC(=CC=C1NC(=O)COC(=O)COC2=CC=C(C=C2)Cl)S(=O)(=O)N 1 1.526 2 6 0 -12.6790751517203 2548270 CC1=C(SC2=NC=NC(=C12)NCCC3=CC=C(C=C3)S(=O)(=O)N)C 1 2.701 4 2 -5.5278694709129 2548257 COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.938 5 2 0 -8.59531863322512 2548252 C1=CC(=CC(=C1)Cl)CNC(=O)C2=CC3=C(C=C2)N=CN3 1 2.801 3 1 -7.09504427263454 2548246 CC(C)CCNC(=O)C1=CC2=C(C=C1)N=CN2 1 2.134 3 1 -13.0007563420677 2548242 CN1C(=NN=C1SCC2=NC(=NO2)CC(=O)NC3=CC=CC=C3OC)C(F)(F)F 1 2.283 6 3 0 -17.5535117465872 2548237 CC1=CSC(=N1)SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.712 2 4 0 -25.0494368103366 2548235 COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=CC=N3)OC 1 2.2e-002 5 4 0 -12.8270499730303 2548229 COC1=C(C=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC)OC 1 3.528 2 5 0 -5.20893958898214 2548228 C1=CC(=CC=C1N(CCC#N)C(=O)COC2=C(C=C(C=C2)Br)F)F 1 3.794 2 2 -6.85559597203906 2548194 CC1=C(SC2=NC(=NC(=C12)N3CCC(CC3)C(=O)N)CSC4=CC=CC=C4)C 1 3.932 4 1 -2.11204728384364 2548190 CN(CC1=CC=CS1)C(=O)COC2=CC=C(C=C2)C3=NN=CO3 1 1.701 3 3 0 -7.99341380488258 2548181 C1CN(CCC1C(=O)N)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 2.563 4 1 8.59884123531576 2548159 COC1=C(C=C(C=C1)C2=CSC3=NC(=NC(=C23)N4CCC(CC4)C(=O)N)C5=CN=CC=C5)OC 1 3.242 5 3 0 0.79798038031212 2548154 CC1=NC(=C2C(=CSC2=N1)C3=CC=CS3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N 1 3.704 5 2 0 -16.9093069722204 2548148 CC1=C(SC2=NC(=NC(=C12)N3CCC(CC3)C(=O)N)CN4CCCC4)C 1 2.342 5 1 -1.2785210677679 2548120 C1CCC(CC1)CNC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.548 3 3 0 -18.5006700659433 2548102 CC1=CC=C(C=C1)OCCOC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C 1 2.627 3 5 0 -7.60436710049708 2548079 CCCN1C(=CC(=C1C)C(=O)COC2=CC=C(C=C2)C3=NN=CO3)C 1 2.831 3 3 -5.09682558608277 2548067 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C4=NN=CO4 1 1.448 4 5 0 -18.6387085154709 2548035 CN(CCOC1=CC=CC=C1)CC(=O)NC2=CC=CC(=C2)C#N 1 2.467 3 2 -6.33791286990449 2548027 CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN=C(C=N3)C 1 2.194 2 4 -11.6032412913495 2548025 CC(C)(C)C1=NN=C2N(C1=O)N=C(S2)SCCN3C(=O)C4=CC=CC=C4C3=O 1 4.026 5 3 0 -7.22004411193787 2548022 CCN1C(=O)C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 1.875 3 5 0 -9.69065146649138 2548018 CC1=C(SC2=NC(=NC(=C12)N3CCOCC3)CSC4=CC=CC=C4)C 1 4.146 3 1 -3.77175002829834 2548007 CC1=CN2C(=NC(=CC2=O)COC3=CC=C(C=C3)N(C)S(=O)(=O)C4=CC=CC=C4)C=C1 1 2.698 3 4 0 -17.4443096078629 2548004 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NC4=CC=CC=C4O3 1 3.762 2 3 -4.3716616768277 2547991 C1CCC(=CC1)CCNC(=O)COC(=O)CC2=C(C=CC=C2Cl)F 1 3.977 1 3 -16.4770829320052 2547990 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)OC 1 0.972 5 5 0 -17.6720426460992 2547983 CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3 1 2.279 3 6 0 -15.649801396298 2547981 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC=C(S3)[N+](=O)[O-] 1 2.733 3 5 0 -3.72692213628399 2547969 C1=CC(=NC=C1Cl)NC(=O)COC(=O)CC2=CSC=C2 1 2.071 2 3 -9.06139270481185 2547956 C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=C(N=CC=C2)Cl 1 2.829 2 3 -13.0871115311404 2547949 CC1=C(C(=CC=C1)C)OCCOC(=O)C2=NNC3=CC=CC=C32 1 4.362 2 3 -12.6574905763864 2547934 CCCN1C(=O)NN=C1SCC(=O)NC2=CC=CC=C2Cl 1 2.79 4 2 -16.3793387064553 2547932 CCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 2.389 5 2 0 -20.3726824387967 2547922 C1CCC(C1)C(=O)NNC(=O)CC2=CC=CC=C2 1 1.912 2 2 0 -6.86890217499807 2547906 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.174 4 4 0 -17.7021002304983 2547893 C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CCO)C(=O)/C=C/C3=CC=CO3)N 1 0.576 4 5 0 -4.84333217713292 2547874 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C4N3C=CC=C4 1 2.291 7 3 0 -21.2513395255726 2547872 C1=CC(=CC=C1CNS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 3.421 3 5 0 -7.06592719327962 2547832 CC1=CC(=C(C=C1)C)NC(=O)C2=NC3=CC=CC=C3C=C2 1 4.201 2 1 -7.75055289986252 2547821 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.691 2 3 -2.14575878753055 2547793 CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C4C3)C5=CN=CC=C5 1 5.643 5 1 -17.3444914280276 2547792 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NNC(=O)C3=C(OC=C3)C 1 0.411 3 6 0 -21.2133628689925 2547759 COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3 1 2.502 2 4 -7.89843829160035 2547750 CN1C=CSC1=NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.27 3 3 -12.2600021564953 2547744 CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 2.439 2 4 -17.7717555215347 2547736 CCOC(=O)C1=C(OC(=C1C#N)NC(=O)COC2=C(C=C(C=C2)Cl)C)C 1 3.057 2 5 0 -7.69917054436926 2547729 C1CCN(CC1)C2=CC=CC=C2NC(=O)CC3=C(C=CC=C3Cl)F 1 4.598 2 1 -7.9066279155901 2547713 C1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)Br)Cl 1 4.639 1 1 -5.2632112866892 2547683 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC#N 1 3.537 5 2 0 -22.7854250561078 2547681 COCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CC3=CC(=C(C=C3)Cl)Cl 1 2.548 4 4 0 -7.82189599421266 2547679 C1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 3.785 2 3 -8.69995686646136 2547678 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC 1 4.155 4 2 -18.7116960155303 2547662 COC1=CC=C(C=C1)/C=C/C(=O)NC2=CN=C(C=C2)OC 1 2.438 2 3 -6.59299305454476 2547631 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC4=C(C=C3)OCCO4)C 1 2.621 2 5 0 -22.5197154381602 2547610 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C#N 1 1.298 3 4 0 -22.2422016611934 2547579 CC1=C(OC2=C1C=CC=C2Cl)C(=O)NC3=NC4=CC=CC=C4N3 1 4.417 3 2 9.11660518205912 2547568 C1COCCN1S(=O)(=O)C2=CN=C(C=C2)NCCC3=CNC4=CC=CC=C43 1 1.557 4 3 0 -19.6209821395634 2547566 CC1=C(SC(=N1)NC(=O)C2CCCC2)CC3=CC4=C(C=C3)OCO4 1 3.513 2 3 -3.77404051207397 2547561 C1CN(CCN1C(=O)COC2=C(C=C(C=C2)F)Br)S(=O)(=O)/C=C/C3=CC=CC=C3 1 2.559 2 4 -7.96238566552414 2547535 CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)N3C=NN=N3 1 1.104 6 3 0 -21.7607644751295 2547478 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)C2=NN3C(=CC=NC3=N2)C 1 0.868 6 4 0 -20.8658909649946 2547468 CC(=O)C1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.759 2 5 0 -22.8909192714568 2547456 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N(CCC(C)C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 2.55 6 4 0 -10.5962119750452 2547421 C1=CC(=CC(=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=CN2)C#N 1 0.968 3 5 0 -14.273392736819 2547406 CC1=CN=C(S1)NC(=O)CC2=COC3=C2C=CC(=C3)OC 1 2.079 2 3 -5.6074761310137 2547402 CC1=CC(=C(C(=C1)Cl)NC(=O)CC(C)(C)C)C 1 4.168 1 1 -3.71823510874918 2547401 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F 1 3.623 4 4 0 -11.9042301569879 2547390 C1CCC(=CC1)CCNC2=NN=NN2C3=CC=CC=C3 1 2.922 5 0 -11.8159147686261 2547383 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CNC(=O)C2CCCCC2 1 2.816 2 4 -13.3942373560712 2547369 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC3=CC(=O)N4C=C(C=CC4=N3)C 1 3.184 3 4 0 -16.7365965629605 2547368 C1CCC(CC1)C(=O)NCC(=O)OCC(=O)NCC2=CC=CC=C2 1 1.85 2 4 0 -15.0932180721062 2547360 CC1=CC(=CC(=C1)NC(=O)COC(=O)CNC(=O)C2CCCCC2)C 1 2.816 2 4 -12.0797935882242 2547346 C1=CC(=CC=C1N2C=NN=N2)OCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 1.953 5 2 0 -16.5576861213987 2547336 C1=CC=C(C=C1)N2C=NN=C2SCC(=O)C3=CNC4=CC=CC=C43 1 3.609 4 1 -5.01006431105314 2547330 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NN=C4N3C=C(C=C4Cl)Cl 1 4.34 4 2 -8.81324465097993 2547322 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CNC(=O)C2CCCCC2 1 2.816 2 4 -13.8351227536568 2547316 COC1=CC=CC(=C1)NC(=O)COC(=O)CNC(=O)C2CCCCC2 1 1.827 2 5 0 -11.6008135381975 2547297 C1CCC(CC1)C(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)F 1 2.668 1 4 -11.9631038553834 2547282 CC1=C(SC(=C1C(=O)OCCOC)NC(=O)CNCC2=CC=CO2)C(=O)N 1 0.476 3 6 0 -18.4130537944013 2547245 C1=CC=C(C=C1)N2C(=NN=N2)NCCC3=CNC4=CC=CC=C43 1 2.793 6 0 -11.9574648286476 2547225 C1CCC(CC1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)F 1 2.049 2 4 -9.82459000674564 2547210 C1CN(CCC1C(=O)N)C(=O)/C=C/C2=C(C=CC(=C2)Br)F 1 2.14 2 2 -0.778362016786696 2547209 C[C@@H](C(=O)NCC1=CC=CO1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.298 2 6 0 -19.4584016078981 2547175 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CC3=C(C=CC=C3Cl)F 1 5.037 1 1 -2.28847735465311 2547169 COC1=CC=C(C=C1)CC(=O)NCCC2=C(C=C(C=C2)Cl)Cl 1 4.289 1 2 -7.99517888342414 2547125 COCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C=C3)N 1 2.03 4 4 0 -6.7219876301861 2547088 COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)F)F)Cl 1 4.338 1 2 -3.94415821102922 2547066 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F 1 3.811 2 4 -10.6859766410185 2547062 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3F 1 4.373 1 1 -2.98669312562706 2547028 CC1=C(SC2=NC=NC(=C12)NCC3(CCCCC3)N4CCOCC4)C 1 3.632 4 1 -2.01863343112517 2546993 CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC3=CC(=O)N4C5=CC=CC=C5SC4=N3 1 4.476 2 4 -7.80044840157221 2546972 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C3N2C=C(C=C3Cl)Cl 1 4.324 3 2 -13.0504629382997 2546795 CC1=CC(=C(N1C)C)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)F 1 3.205 1 3 -3.62629534963546 2546786 CNC(=O)NC(=O)COC(=O)CCCOC1=CC=C(C=C1)OC 1 0.913 2 6 0 -13.6727251664365 2546779 C1CC1NC(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F 1 2.378 3 3 -11.7899267322104 2546768 CC1=CC2=C(C=C1C)N(C=N2)C3=NN=NN3C4=CC=CC=C4 1 3.529 6 0 -5.56454029244386 2546741 CN(C1CCCCC1)S(=O)(=O)C2=CC=CC(=C2)C#N 1 2.684 2 2 -6.67355108322255 2546709 CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SC 1 2.612 3 3 -8.74082079972682 2546677 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=N3 1 2.363 3 4 0 -8.4360145385204 2546672 CC1=CC(=C(C=C1)OC)NC(=O)CNC2=CC=C(C=C2)C(=O)C 1 2.484 2 3 -12.8959973147881 2546645 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CN3C=NC4=CC=CC=C4C3=O)C 1 1.108 4 5 0 -15.6984655973269 2546644 CCCNC(=O)COC(=O)/C(=C/C1=C(N(C(=C1)C)CCC)C)/C#N 1 2.387 3 3 -20.4028905249071 2546642 C1=COC(=C1)C(=O)NCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 0.829 3 5 0 -11.955771348739 2546616 CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=C(SC(=C2C)C)NC(=O)C 1 2.07 2 4 -16.6326444925003 2546578 C1=CSC(=C1)C2=CSC(=N2)C3=CC=CS3 1 4.064 1 0 0.601009244471192 2546490 C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C3=NC=CC=N3 1 0.715 5 1 0 -7.00291295936942 2546429 COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCC4=O 1 3.273 4 3 0 -12.6695556610274 2546421 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC3=CC=CC=C3 1 3.285 3 2 -5.59953988604536 2546373 COC1=CC=CC(=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=C(C=CC=C2F)F 1 1.479 2 6 0 -11.954468014476 2546367 CC(C)CCN(CC(=O)NCC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.811 2 7 0 -30.0054432997717 2546360 CCCCN(CC(=O)NC1CC1)S(=O)(=O)C2=CC=C(C=C2)OCC 1 2.157 2 4 -20.7586483733987 2546339 CC1=C(C=C(C=C1)NC(=O)C2=NC=C(C(=C2Cl)Cl)Cl)C 1 4.858 2 1 -3.652050043799 2546319 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.219 4 7 0 -35.7814119549194 2546318 CC(C)CCNC(=O)C1=CC(=C(C=C1)OCC2=C(C=C(C=C2)Cl)Cl)OC 1 5.498 1 3 -13.1683520212683 2546309 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC(=CN=C3)Br 1 2.834 3 1 -9.33597488136185 2546244 C1=CC(=CC=C1OCC2=NNC(=S)N2N)Cl 1 1.903 4 1 0 -4.31534572403612 2546259 CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4N=N3 1 3.903 7 2 0 -28.4324651407205 2546266 C1CC1NC(=O)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 1.528 2 4 0 -20.5634684183162 2546296 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN(C)S(=O)(=O)C4=CC=CC=C4 1 4.078 3 3 -1.76728764509574 2546226 CC(C)(C)C1=NN=C2N(C1=O)N=C(S2)SCC(=O)N3CCC4=CC=CC=C43 1 4.262 5 2 0 -16.1100452746842 2546218 CC1CCN(CC1)CC2=CSC(=N2)N 1 1.538 3 0 0 1.47789937616712 2546211 CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)O)NC1=S 1 2.963 2 3 -8.84091173829159 2546194 CC1=CC(=C(N1C)C)C(=O)CSC2=NN3C(=O)C(=NN=C3S2)C(C)(C)C 1 4.191 5 2 0 -8.87630060889272 2546175 C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCNCC3 1 1.881 2 2 0 -18.0693062233582 2546156 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCCC2 1 1.503 3 5 0 -15.791836335861 2546146 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=C(N=CC=C3)NC4=CC=CC=C4F 1 3.24 3 5 0 -14.258997873334 2546095 CC1=NN(C(=C1C(=O)O)Cl)CC(C)C 1 2.043 2 2 -5.42654454462977 2546084 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4C=C3 1 3.015 2 3 -10.4640917297752 2546081 CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.698 2 2 -2.39575152063391 2546078 CC1=CC(=CC(=C1)NC2=NCCCS2)C 1 3.265 2 0 -7.3149931092864 2546016 C1=CC=C(C=C1)OCCSC2=NNC(=N2)N 1 2.08 4 1 -1.35298200351929 2545997 CN1C=CC=C1C(=O)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4 1 3.177 5 2 0 -13.638879163778 2545985 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC(=O)N3C(=N2)SC(=N3)C 1 1.983 4 5 0 -25.2579086044485 2545977 CCN(CC(=O)NCC1=CC=CS1)C(=O)CCC2=CNC3=CC=CC=C32 1 2.76 3 2 -24.6311257514231 2545956 CCC1=C(C=C(S1)C(=O)NCC2=CC=CC=C2)C 1 3.873 1 1 -8.51440515787185 2545955 CC1=CC(=C(N1C2CC2)C)C(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 3.044 2 4 -9.04052195004391 2545944 CN(CCOC1=CC=C(C=C1)Cl)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.345 2 5 0 -18.6261102232172 2545942 CC1=C(C=CO1)C(=O)NNC(=O)C2CCCC2 1 1.126 2 3 0 -4.86788193993221 2545925 CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)OC4=C(C(=CC=C4)Cl)Cl)C 1 5.678 3 2 -1.79780005960388 2545885 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)OC2=CC=CC(=C2)C(=O)C 1 2.333 2 4 -12.3325321207706 2545881 C1=CC(=CC=C1C2=NN=CO2)OC3=NC=CN=C3 1 0.927 4 2 0 1.38885749974257 2545869 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)[C@H](CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O 1 3.014 2 7 0 -15.9604418380144 2545855 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F 1 2.244 2 6 0 -11.6996110475467 2545817 COC1=C(C=C(C=C1)NC(=O)CN2CCC3=CC=CC=C3C2)OC 1 2.581 2 3 -13.6322601581409 2545792 CC(=O)C1=CC(=CC=C1)OCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)F 1 1.661 2 4 0 -12.9898864869497 2545752 C1=CC=C(C(=C1)SC2=C(C=CC=N2)C(=O)O)Cl 1 3.631 1 2 -5.36046589238322 2545743 CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(N2)C=C(C=C3)C 1 3.913 4 2 -7.4032867306728 2545710 CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)C(F)(F)F 1 2.568 5 3 0 -13.6047351085839 2545707 CN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)OC)C(F)(F)F 1 2.459 4 2 -15.8545983625162 2545706 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C(F)(F)F)[N+](=O)[O-] 1 2.849 5 3 0 -14.3258197568015 2545663 COC1=C(C=C(C=C1)CNC(=O)NCC2=CC(=C(C=C2)OC)OC)OC 1 2.471 2 5 0 -9.32783874946715 2545658 C1=CC(=CC(=C1)Cl)CNC(=O)NCC2=CC(=CC=C2)Cl 1 3.865 2 1 -2.49021350643413 2545651 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC3=NC4=CC=CC=C4S3 1 3.887 4 3 0 -14.3699381868373 2545623 CCCNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C 1 1.518 3 3 0 -23.9639577237517 2545617 CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CO3 1 2.988 3 3 -14.3416737300146 2545610 CC1(C(=O)N(C(=O)N1C)S(=O)(=O)C2=C(C(=C(C=C2)F)F)F)C 1 1.815 2 4 0 -7.82930382530304 2545552 CC1=NN(C(=C1C(=O)N(C2=C(C=C(C=C2)Cl)F)S(=O)(=O)C)Cl)CC(C)C 1 3.848 3 3 -6.26637552500442 2545550 CC1=NOC2=NC=C(C=C12)C(=O)C3=C(C=CC(=C3)OC)O 1 1.96 2 4 0 -0.607755855700875 2545531 CC1=CC(=NC2=CC=CC=C12)SCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC(C)C)N 1 2.335 5 4 0 -11.8889935320407 2545524 CCOC(=O)C1=C(C2=C(S1)N=C3C(=CC(=CN3C2=O)C(=O)C4=C(C=CC(=C4)OC)O)SCCC(=O)O)C 1 3.187 2 8 0 -21.5692217763315 2545502 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC(=C(S2)Br)Br 1 3.062 2 4 -13.409218549757 2545498 C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)/C=C/C4=CC=CC=C4 1 1.361 4 3 0 -7.16690998116668 2545484 C1=CC=C(C=C1)C2=CSC3=C2C(=O)N4C=C(C=C(C4=N3)SCC(=O)O)C(=O)C5=C(C=CC(=C5)F)O 1 3.697 2 5 0 -5.43449165687442 2545473 C1=CC=C(C=C1)C2=CSC3=C2C(=O)N4C=C(C=C(C4=N3)SCC(=O)O)C(=O)C5=CC=CC=C5O 1 3.492 2 5 0 -6.83562096649547 2545467 CCOC(=O)C1=C(C2=C(S1)N=C3C(=CC(=CN3C2=O)C(=O)C4=CC=CC=C4O)SCC(=O)O)C 1 2.955 2 7 0 -19.9264392011827 2545462 CC1=NOC2=NC=C(C=C12)C(=O)C3=C(C=CC(=C3)F)O 1 2.182 2 3 1.76149272430543 2545432 CC1=C(C(=C(C=C1)Cl)NC(=O)CSC2=NNC(=O)N2C3CC3)Cl 1 3.558 4 2 -16.3939598745472 2545431 CCOC(=O)C1=C(C2=C(S1)N=C3C(=CC(=CN3C2=O)C(=O)C4=C(C=CC(=C4)F)O)SCC(=O)O)C 1 3.161 2 7 0 -18.693722888574 2545428 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4 1 2.835 5 2 0 -15.9801834459212 2545424 CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-] 1 3.687 3 5 0 -5.82149583401474 2545419 CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCC(=O)NC2CCCCCC2 1 2.103 2 4 -18.0239384180564 2545383 C1CN(CCN1C(=O)C2=CC3=CC=CC=C3O2)S(=O)(=O)C4=C(C=CC=C4F)F 1 2.834 2 4 -8.55442114014398 2545377 COC1=CC(=C(C=C1)O)C(=O)C2=CN3C(=NC4=C(C3=O)C5=C(S4)CCCC5)C(=C2)SCC(=O)O 1 3.34 2 6 0 -20.2709235190665 2545372 CN(CC(=O)NC1=CC=CC=C1Br)C(=O)COC2=CC3=CC=CC=C3C=C2 1 3.372 2 3 -9.37966804489577 2545339 CC1=C(SC2=NC(=NC(=C12)NS(=O)(=O)C3=CC=CC=C3)CN4CCOCC4)C 1 2.42 4 3 0 -7.22870981277731 2545320 CCCN1C2=C(C3=C(N2)C=C(C(=O)O3)NC(=O)C4=CC=C(C=C4)F)C(=O)N(C1=O)C 1 2.122 4 5 0 -12.3017495908847 2545300 CCOC(=O)C1=C(C2=C(S1)N=C3C(=CC(=CN3C2=O)C(=O)C4=C(C=CC(=C4)F)O)SCCC#N)C 1 3.658 3 5 0 -17.7922452615795 2545292 C1=CC(=CC=C1S(=O)(=O)NCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)Br 1 1.394 3 5 0 -17.8337957393121 2545222 CC1=CC=NC2=NC(=NN12)C(=O)NCC3=CC=CS3 1 1.156 5 1 0 -15.3259745756144 2545206 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3 1 2.812 2 5 0 -24.004665689653 2545143 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 1.672 5 4 0 -10.5649493608424 2545147 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NNC(=N3)N 1 1.729 9 0 0 -4.42362340020105 2545149 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NN=NN3C 1 1.505 9 0 0 -14.5593399068264 2545177 CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 3.298 2 5 0 -22.4265768098268 2545171 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl 1 3.483 2 5 0 -25.8729417170785 2545100 CC1=C(C(=NC=C1Cl)NC(=O)CSC2=NN=CS2)Cl 1 2.685 4 1 -10.4182849677567 2545096 CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC(=CC(=N3)N)N)C 1 3.285 4 2 -7.95820182764418 2545090 CC1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N 1 3.453 5 2 0 -5.29408123083021 2545086 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CCCCC3 1 3.429 5 2 0 -5.30715518635317 2545084 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3 1 2.967 5 2 0 -6.06984520101815 2545080 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NN=CN3C 1 1.765 8 0 0 -13.3679170316062 2545068 CC(C)COC1=CC=C(C=C1)C(=O)NNC(=O)C2=CNC(=O)C=C2 1 0.853 3 4 0 -13.1450539019427 2545056 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COC1=C(C=C(C=C1)CCNC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)OC 1 2.882 2 4 -17.4838501283376 2537528 COC1=C(C=C(C=C1)CCNC(=O)CNC(=O)C2=CC=CC=C2Br)OC 1 2.718 2 4 -16.8303505473504 2537516 COC1=C(C=C(C=C1)CCNC(=O)CCNC(=O)C2=CC=C(C=C2)Br)OC 1 2.966 2 4 -18.940509873439 2537513 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=NC=CN=C3 1 1.363 4 1 0 -13.3946971648822 2537506 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSCC3=C(ON=C3C)C)C 1 3.128 3 2 -10.361005361858 2537499 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CC=C4 1 3.548 2 5 0 -13.4147659193398 2537481 COC1=C(C=C(C=C1)CNC(=O)C2=NNC3=CC=CC=C32)OC 1 2.661 3 3 -19.1200061560569 2537479 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NCC2=CC(=C(C=C2)OC)OC 1 3.297 2 4 -18.1129356778207 2537460 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=NN2C3=CC=C(C=C3)Cl)N 1 1.021 7 3 0 -22.7223298477255 2537458 COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)OC 1 2.68 2 4 -13.5172980841409 2537450 CC1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 1.423 2 3 0 -15.2753112560095 2537448 COC1=C(C=C(C=C1)CNC(=O)CNS(=O)(=O)C2=CC=CC(=C2)C#N)OC 1 1.23 3 5 0 -21.532924029655 2537444 CSC1=C(C=CC=N1)C(=O)NCC2=CC=CC=C2Cl 1 3.216 2 1 -14.5095312774573 2537438 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=CC=CC=C5O4 1 3.147 2 4 2.65235055593185 2537373 C1=CC=NC(=C1)CCNC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl 1 3.762 2 2 -10.9527230990354 2537367 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCC3=CC=CC=N3 1 1.23 3 4 0 -29.8106292177226 2537363 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=N3 1 2.424 3 3 -23.0310393413774 2537350 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=N3 1 3.394 3 3 -10.9517222065861 2537344 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)NCCC4=CC=CC=N4 1 4.731 3 1 -8.91136831214039 2537337 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=CC=N3 1 2.424 3 3 -23.5609460151663 2537301 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NCCC4=CC=CC=N4 1 4.731 3 1 -7.56550180138296 2537297 C1=CC=NC(=C1)CCNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 3.667 2 2 -12.0206074057995 2537295 CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)NC3=CC=C(C=C3)N4CCOCC4)C 1 2.214 4 3 0 -15.887734463271 2537291 C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCCC3=CC=CC=N3 1 1.084 4 2 0 -16.0685112286059 2537278 C1CN(CCN1CC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br 1 3.693 3 4 0 -21.9264280617966 2537230 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC3=C(C=C(C=C3)F)Cl 1 3.974 3 2 -4.84089092254516 2537228 CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)N 1 3.13 5 2 0 -5.58430448547666 2537162 C1CC(=O)N(C1)C(=O)COC2=CC=C(C=C2)C#N 1 0.997 2 3 0 -11.764826140941 2537155 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC(=O)NC(C)C 1 2.316 2 6 0 -4.64538720268425 2537124 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCC3=CC(=C(C=C3C2)OC)OC 1 1.698 3 5 0 -17.2715597414778 2537104 CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5C4=O 1 4.962 3 3 -13.0366697715919 2537079 C1=CC=C(C=C1)CCNC(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N 1 4.175 2 2 -8.36019233201941 2537078 CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)C(=O)C)OC 1 5.606 2 3 -20.9965953420006 2537070 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC=C(C=C2)OC(F)(F)F 1 3.99 4 4 0 -7.69298657598889 2537056 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=C(C=CC(=C3)OC)OC 1 1.787 4 4 0 -11.9916886327502 2537029 C1CC2=C(C1)SC(=C2)C(=O)NCC(=O)NC3=CC=CC=C3Br 1 3.303 2 2 -15.246686480445 2537012 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)C3=C(C=CC(=C3)F)F)C(=O)O 1 2.482 2 4 -7.40521193692675 2536948 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-] 1 2.829 3 4 0 -2.54213265854897 2536973 CC1=C(C(=CC=C1)C)OCCSC2=NNC(=N2)N 1 3.052 4 1 -1.96978729965047 2536961 C1=CC2=C(C(=C1)OCC(=O)NC3=NC=CS3)N=CC=C2 1 1.633 3 2 0 -11.4046560807493 2536956 CCOC1=C(C=C(C=C1)NC(=O)CN(C)CC2=CC(=O)N3C(=CSC3=N2)C4=CC=CC=C4)OCC 1 3.234 4 4 0 -17.7768548839377 2536954 C1=CC(=CC=C1C(=O)NCCC(=O)NC2=NC=CS2)Br 1 1.668 3 2 0 -13.604325490133 2536951 CC(C)OCC1=C(OC2=CC=CC=C21)C(=O)NC3=NC=CS3 1 2.737 2 3 -2.76275152389195 2536924 C1=CC=C(C=C1)OCCCC(=O)NC2=NC3=CC=CC=C3N2 1 3.076 3 2 -5.17519673736105 2536909 CCC(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3 1 2.367 2 4 -11.7910370467605 2536883 COC1=C(C=CC(=C1)SC)C(=O)NC2=NC3=CC=CC=C3N2 1 3.197 3 2 -0.154048070219324 2536819 C1=CC=C2C=C(C=CC2=C1)NC(=O)COC(=O)C3=C(C=C(C=C3)O)O 1 2.746 1 5 -2.052099367335 2536811 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CNC(C3=CC=CC=C3)C4=CC=CC=C4 1 5.134 2 1 -2.4419686415084 2536790 CCN(C1=NC(=CS1)CSC2=NN=C(S2)NC(C)C)C(=O)C 1 1.92 5 1 0 -15.6549184212774 2536777 C1CC1NC(=O)COC(=O)C2=C(C=C(C=C2)O)O 1 0.75 1 5 0 -7.15371105010574 2536775 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=NCCS3 1 3.117 3 4 0 -17.6095763329395 2536750 CC1=C(C=CO1)C2=NN=C(N2C)SCC3=CC(=O)N4C=C(C=CC4=N3)Br 1 1.855 5 2 0 -15.1004057008997 2536732 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4O3 1 2.72 2 3 -0.579722526440378 2536706 C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)C3=C(C=C(C=C3)O)O 1 2.746 1 5 -4.95955292620005 2536701 CCCN(CC(=O)NC1=C(C=C(C=C1)Cl)Cl)C(=O)/C=C/C2=CC=CO2 1 3.944 2 3 -8.07414156380763 2536681 CC(=O)NCCC(=O)NC1=CC=C(C=C1)C(=O)N 1 -0.74 3 3 0 -15.3457369812368 2536679 COCC1=C(OC2=CC=CC=C21)C(=O)NC3CCCCCC3 1 3.751 1 3 -2.41814037936956 2536646 CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=C(C=CS2)C#N 1 1.794 3 2 0 -13.3610421768983 2536643 C1=CC(=C(N=C1)Cl)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)F 1 3.684 4 1 -12.2167279980382 2536598 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC=CC=N3 1 1.483 4 1 0 8.3354526986771e-002 2536591 CC1=NN=C(N1C)SCC(=O)N2CC(=O)NC3=CC=CC=C32 1 0.392 5 2 0 -19.7189549279162 2536589 CN(CC1=C(C=C(C=C1)Cl)Cl)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.902 3 3 -9.12427309097648 2536570 C1=CC=C2C(=C1)C=CC=C2CC(=O)OCC(=O)NC3=C(C=CS3)C(=O)N 1 2.053 2 4 -10.3798971847894 2536568 CN1C(=NN=N1)SCCOC2=CC=C(C=C2)C#N 1 1.734 5 1 0 -14.0597436451933 2536502 C1CCC(C1)NC(=O)CSC2=C(C=CC(=C2)Cl)Cl 1 4.162 1 1 -7.9001846473707 2536503 CC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2)OC 1 2.46 1 4 -16.4804400229125 2536529 COC1=C(C=C(C=C1)CNC(=O)CSC2=NN=C3N2C=C(C=C3Cl)C(F)(F)F)OC 1 3.905 4 3 0 -17.9757000114007 2536526 C1=CC(=CC=C1CNC(=O)CSC2=NN=C3N2C=C(C=C3Cl)C(F)(F)F)F 1 4.143 4 1 -12.6878781078599 2536522 CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32 1 0.525 3 6 0 -11.6343504156583 2536404 CC(C)(C)NC(=O)/C=C/C1=CC=C(C=C1)C(F)(F)F 1 3.379 1 1 -4.71815910062389 2536397 CCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C43 1 3.449 4 3 0 -26.6440771114764 2536378 C1=COC(=C1)/C=C/C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F 1 3.832 2 2 1.84626137827433 2536374 COC1=C(C(=CC(=C1)C(=O)NCC2=CC=NC=C2)Br)OCC3=CC=CC=C3 1 3.77 2 3 -9.49618516291721 2536355 CN1C(=NN=C1SCC(=O)N2CCCC2=O)C3=CC=CC=C3F 1 1.919 4 2 0 -15.2364667338383 2536353 CCOC1=CC=CC=C1NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2C 1 2.074 3 5 0 -14.2180216236409 2536348 CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)COC3=CC=CC(=C3)C(=O)C 1 3.115 2 4 -11.5401435856037 2536320 CN(CC1=CC=CC=C1C#N)S(=O)(=O)C2=CC=CS2 1 2.195 2 2 -6.60528843734476 2536317 CN(CC1=C(C=C(C=C1)F)Cl)S(=O)(=O)C2=CC=CS2 1 3.186 1 2 -1.65745322388563 2536292 CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)C 1 2.162 3 5 0 -20.6795972866845 2536282 C1CC2=NC3=C(C=CC(=C3)C(=O)OCC(=O)NC4=CC=CC=C4F)C(=O)N2C1 1 1.987 3 4 0 -18.4157751856664 2536269 CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)F 1 1.661 2 4 0 -14.0422730774496 2536263 C1CN(CCN1C(=O)COC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)C(=O)C4=CC=CO4 1 2.147 3 5 0 -16.1353199028031 2536258 CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=CC=CNC3=O 1 0.828 2 4 0 -15.4854316347616 2536253 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3CCOC)C4=CC=NC=C4 1 0.856 7 3 0 -28.2410435178436 2536186 CC(C)[C@@H](C(=O)NC1=NN=C(S1)C2CC2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.445 4 5 0 -23.6604341151613 2536158 CC1=CC=C(N1C)CNC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl 1 3.119 4 1 -13.3509008241896 2536119 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.737 2 3 0 -12.923243790578 2536088 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N=CN3 1 2.334 3 3 -13.6648483440916 2536044 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)NN=CC4=CC=C(C=C4)F 1 4.299 4 1 -4.61220644210577 2536037 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC(=S)N(C)C 1 3.463 2 3 -17.0197297415219 2536033 CCCSC1=NN=C(S1)SC2=NN=NN2C3=CC=CC=C3 1 3.806 6 0 -17.0376088629239 2535996 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3)Br 1 2.443 5 3 0 -21.3772769703244 2535981 CC1=CC=C(C=C1)NC(=O)COC(=O)CSC(=S)N2CCOCC2 1 2.722 2 4 -15.6392815635252 2535936 CC(C)NC1=NN=C(S1)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.585 4 2 -6.63261622233082 2535924 C1COCCN1CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OCC4=CC=C(C=C4)C#N 1 1.84 4 4 0 -12.6423538858812 2535899 C1CN(CCN1CC2=CC(=O)N3C=CSC3=N2)C4=CC=CC=C4O 1 1.572 4 2 0 -5.58341961696383 2535882 C1COCCN1C2=CC=C(C=C2)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.225 3 1 6.72888045476266 2535833 CCNC(=O)CSC1=NC=NC2=C1C=CS2 1 1.601 3 1 0 -14.5229760477833 2535819 CC1=C(NC(=C1C(=O)C)C)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O 1 2.765 2 5 0 -10.6127691429269 2535806 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC(=O)OCC3=C(C=CC=C3Cl)F 1 4.717 1 3 -8.25295035483762 2535777 C1CCC(=CC1)CCNC(=O)COC(=O)CN2C=NC3=CC=CC=C3C2=O 1 2.05 3 4 0 -17.1351353949018 2535770 CC1=NC2=CC=CC=C2C(=C1)C(=O)NNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.145 4 5 0 -23.38129095787 2535764 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.421 5 3 0 -22.8473972239816 2535734 CC1=C(C(=NO1)C)C(=O)OCC2=C(C=CC(=C2)C(=O)C)OC 1 1.874 1 5 0 -12.7290069765474 2535696 CC1=C(C(=NO1)C)C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl 1 2.196 2 4 -15.1661090016171 2535682 CC1=C(C(=NO1)C)C(=O)OCC(=O)C2=CC=CN2 1 1.208 2 4 0 -12.1476530236346 2535671 CC1=C(C(=NO1)C)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N 1 0.316 4 6 0 -22.5501623080671 2535642 C1COCCN1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)NCC5=CC6=C(C=C5)OCO6 1 3.932 4 3 0 -7.13354233693629 2535618 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC(=O)N)Cl)CC2=CC=CC=C2Cl 1 2.426 4 4 0 -9.0649795815849 2535610 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4 1 3.064 5 2 0 -6.81669271058509 2535600 COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 2.423 2 6 0 -14.3402501904083 2535591 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O 1 1.377 2 8 0 -17.684690519284 2535580 CN(CC(=O)NC1=CC=C(C=C1)C#N)CC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 1.321 5 3 0 -8.09979029073466 2535563 CC1=NC2=C(C=CC=C2OCC(=O)NC3=CC4=C(C=C3)OCO4)C=C1 1 2.686 2 4 -10.765621027511 2535551 CC1=CC(=C(N1C)C)C(=O)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 1.985 2 5 0 -14.3467643988913 2535542 C1=CC(=CC(=C1)Br)S(=O)(=O)NCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.159 3 5 0 -16.0269990223595 2535541 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC3=CCCCC3 1 3.749 2 6 0 -24.4303389887154 2535534 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)C3=C(C(=C(N3)C)C(=O)OCC)C 1 2.879 3 6 0 -14.0423804735232 2535523 CCOC1=CC=CC=C1NC(=O)CON2C3=CC=CC=C3N=N2 1 0.225 4 3 0 -7.25365717398114 2535513 CN(CCOC1=CC=CC=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl 1 3.131 3 2 -0.322285290623826 2535506 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C)C 1 1.247 3 6 0 -23.5778815398894 2535501 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=C(N=CC=C3)Cl 1 1.057 3 4 0 -14.6675796270478 2535494 COC1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=N2)S(=O)(=O)NC3=CC=C(C=C3)Br 1 3.153 3 4 0 -13.4842524727694 2535492 CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC=C(O2)Br 1 2.495 1 4 -8.70130084477115 2535490 C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)[N+](=O)[O-] 1 4.879 3 5 0 -19.8468286452308 2535480 C1=CC=C(C=C1)OCC(=O)NCC(=O)NCC2=CC=CC=C2F 1 1.722 2 3 0 -14.968590946103 2535450 CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C 1 4.306 2 1 -12.891997043912 2535434 CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)COC(=O)C3=CC=C(C=C3)O 1 4.071 1 4 -7.73364331611649 2535429 CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=CC=C(C=C2)O 1 3.72 1 6 0 -10.0413839328162 2535416 CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC4=NN=C(S4)N 1 2.156 6 2 0 -19.082592170467 2535403 C1=CC=C(C=C1)CC(=O)NCC(=O)NC2=CC(=CC=C2)Cl 1 2.373 2 2 -8.87061431630578 2535379 COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NCCN3C(=O)CSC3=O 1 1.214 2 7 0 -17.7265331804207 2535289 CSC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)C2=CC=CN2 1 3.335 1 3 -1.784673333402 2535257 CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C(S3)C 1 4.237 2 3 -6.77824500721145 2535249 CCOC1=C(C=CC=N1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)C 1 3.992 1 5 -8.167268677558 2535242 C1=CC=C(C=C1)CCNC(=O)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 3.562 2 3 -13.6127530370307 2535233 CC1=NC(=CS1)CC(=O)NN=CC2=CC(=C(C=C2)OCC(C)C)OC 1 3.022 3 3 -14.7862244773347 2535219 C1C2=CC(=CC(=C2OCO1)CSC3=NN=NN3C4=CC=C(C=C4)O)[N+](=O)[O-] 1 2.624 5 5 0 -15.5989540943387 2535200 CC1=C(SC(=S)N1)CC2=CC(=C(C=C2)Cl)Cl 1 4.802 1 0 -1.53563721757435 2535176 CCOC(=O)C1=C(NC(=C1CC2=CC(=CC=C2)Cl)C=O)C 1 3.963 1 3 -4.03290498767149 2535163 CC1=C(C=C(C=C1)C2=NN(C=C2C=O)CC3=CC=CC=C3)C 1 4.742 2 1 1.13283961770288 2535143 C1=CC=C(C=C1)C2=CSC3=C2C(=NC(=N3)C4=CC=CC=N4)Cl 1 4.402 3 0 5.43648287156817 2535136 C1COC2=C(O1)C=CC(=C2)CCNS(=O)(=O)C3=CC=CS3 1 2.218 1 4 -8.90388413127246 2535112 CC1=CSC(=N1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC 1 2.022 3 3 -15.513896726728 2535091 CC1=C(C2=C(S1)N=C(N=C2Cl)C3=CN=CC=C3)C4=CC=CC=C4 1 4.119 3 0 2.27747585634975 2535088 CCOC(=O)C1=CC(=C(NC1=O)SCC(=O)O)C#N 1 0.384 2 5 0 -17.8447964329613 2535075 CC1=NN(N=C1C(=O)O)C2=CC(=CC=C2)Cl 1 2.412 3 2 1.26728720589014 2535061 CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)O)C)C 1 2.72 3 2 -3.53727316521647 2535004 CCN(CC)C(=O)C1=C(NC(=S)C(=C1C2=CC=CO2)C#N)C 1 2.068 3 2 -10.6662506568164 2534967 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=C(C=C(C=C3)N4CCN(CC4)C)C 1 4.045 3 2 -2.89070637400682 2534960 COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=CC=CC=C3Cl)CCC#N 1 3.838 4 2 -3.65282501710453 2534954 C1=CC(=CC=C1C2=NN(C=C2C(=O)NC3=CC=C(C=C3)F)CCC#N)[N+](=O)[O-] 1 3.29 5 3 0 -6.40402656248312 2534940 CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C 1 3.55 2 3 -14.9531800420727 2534928 C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C(=O)NC4=CC=C(C=C4)C(=O)O)CCC#N 1 3.415 4 4 0 -2.66065447648232 2534924 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)COC(=O)C3=CC=CNC3=O 1 2.12 2 4 -12.4860318768104 2534877 CC1=C(SC(=C1C(=O)OCCOC)NC(=O)CN(C)C2=CC=CC=C2)C(=O)N 1 1.919 3 5 0 -17.8152750013346 2534861 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 1 3.4 5 4 0 -21.1057742709535 2534835 CN(CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 3.15 3 5 0 -7.78272153934064 2534792 CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 1.769 5 5 0 -7.58033481329842 2534754 CC(C)N(C(C)C)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N 1 1.773 2 5 0 -16.6563936646393 2534741 C1CCC(C1)N2C(=O)C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 1.218 4 5 0 -11.7056912048091 2534732 CC(=O)C1=CC(=C(C=C1)OC2=NC=CN=C2)OC 1 1.351 2 3 0 -7.11353815263917 2534697 CC1=C(C(=CC=C1)C)NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC 1 3.333 4 4 0 -11.3480133390158 2534690 CN(CC1=CC(=O)N2C=CSC2=N1)CC(=O)NC3=CC=CC=C3SC 1 1.363 4 2 0 -22.1033698770633 2534686 CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)COC(=O)C3=CC=C(C=C3)O 1 4.4 1 4 -10.2562512736603 2534667 CC1=NC=C(N=C1)C(=O)OCC2=C(C=CC(=C2)C(=O)C)OC 1 1.402 2 4 0 -12.6381820186052 2534664 CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=CC=N3)C 1 1.558 4 2 0 -15.0967704210966 2534639 CN(CC(=O)NC1=CC=C(C=C1)C(F)(F)F)CC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.385 4 3 0 -1.87828425373168 2534634 CCC1=CC=CC(=C1NC(=O)CN(C)CC2=CC(=CC=C2)F)C 1 4.174 2 1 -4.77567215126958 2534630 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC3=C(C=C2)OCCO3 1 2.778 0 6 -11.5060231323573 2534629 CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=NNC3=CC=CC=C32)C 1 3.366 3 3 -13.8941635005952 2534567 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC=NN2)N 1 0.103 6 3 0 -16.002518145448 2534571 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=C(C=CC=C2Cl)F)OCC 1 3.863 1 5 -17.4796892627533 2534595 CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC=CNC3=O)C 1 2.401 2 4 -13.3862054966095 2534587 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=CNC3=O 1 1.914 2 4 0 -13.8644014128633 2534561 CC1=NN=C(N1C)SCC2=NN=C(O2)C3=CC=CS3 1 1.773 5 1 0 -13.3781805604723 2534547 CCCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.174 5 3 0 -18.070142494171 2534514 C1=CC=C2C(=C1)C(=NN2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)Cl 1 3.386 3 3 -16.3337994264344 2534474 COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=NNC3=CC=CC=C32)OC 1 2.361 3 5 0 -19.3006639015225 2534473 CN(CC1=CN=CC=C1)C(=O)CNC(=O)COC2=CC=CC=C2 1 0.572 3 3 0 -15.3362502925704 2534457 C=CCNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N 1 0.731 2 5 0 -21.8586613257402 2534448 CN(CC1=CC(=CC=C1)F)C(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F 1 3.38 1 3 -5.95347475033291 2534438 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OCC(=O)N2CCCC2 1 1.83 1 6 0 -10.2363475147947 2534425 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC=CC=C2F 1 2.181 2 2 -17.8964963345503 2534365 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2CCCC2 1 2.502 2 2 -8.12318923705947 2534356 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CC2=CC=C(C=C2)OC 1 2.459 2 3 -16.1097336730724 2534340 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCC(=O)NC3=CN=CC=C3 1 2.703 2 3 -7.15817349769566 2534327 CC1=CC(=C(O1)C)C(=O)NC2=C(C=C(C=C2Br)F)F 1 3.168 1 2 -3.83772935285235 2534316 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 3.302 2 3 -7.66996469246293 2534314 CC1=C(SC=C1)C(=O)NC2=NN=C(O2)C3=CC=CO3 1 2.29 3 3 -5.02117615491388 2534256 C1CN(CCC1NC(=O)CNC(=O)C2=CC=CC=C2F)CC3=CC=CC=C3 1 1.997 3 2 0 -10.688776546212 2534247 CC1=CSC(=N1)NC(=O)CCCC2=CC=CS2 1 2.373 2 1 -11.679258329437 2534240 C1COCCN1C2=CC=CC=C2NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 2.09 2 4 -15.5991376870299 2534221 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)F 1 3.334 2 2 -6.50726820333252 2534214 C1CCC(CC1)(CNC(=O)C2=CC(=CN=C2)Br)N3CCCCC3 1 3.406 3 1 -8.27832790014732 2534187 C1=CC(=C(C(=C1)Cl)CC(=O)NC2=CC=C(C=C2)N3C=NN=N3)F 1 2.406 5 1 -18.8672476145734 2534186 CCC(=O)C1=C(C=CC(=C1)F)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.526 2 3 -5.48472130668423 2534172 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CC2=C(C=CC=C2Cl)F 1 3.346 2 2 -17.3270089856219 2534167 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)NCCC2=CC=CC=N2 1 1.006 3 4 0 -23.6400959139058 2534154 C[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)NC(=O)C2=CC=CO2 1 0.674 3 4 0 -14.0101307238635 2534073 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=C(O3)C=C(C=C4)Cl 1 3.514 2 4 -11.5369219484838 2534042 CC1=NN=C(N1C)SCC2=CN=C(S2)C3=CC=C(C=C3)C(C)C 1 3.98 4 0 1.38291005153957 2533954 C1=CC(=CN=C1)CN(CCC#N)C(=S)NCC2=CC=CO2 1 2.37 4 1 -15.2496800300138 2533856 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=NN=C(O3)C4=CC=CO4 1 2.505 5 3 0 -4.64180237629169 2533823 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NNC(=O)C3=CC=CC=C3 1 1.754 4 2 0 -6.74609311261882 2533776 C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCCCN3CCCC3=O 1 0.305 4 3 0 -28.5827131061337 2533748 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCCCCC2 1 1.326 2 4 0 -13.9211016790746 2533606 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)/C=C/C2=C(N=C3N2C=CC=C3)Cl 1 3.626 3 3 -7.99916414118226 2533610 CN(C)C1(CCCCC1)CNC(=O)C2=C(C=C(C=C2)SC)OC 1 3.416 2 2 -5.87886282436668 2533656 C1CCC(C1)NC(=O)NC(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.289 3 6 0 -9.75646149202772 2533631 CN(CC1=CC=CS1)C(=O)CC2=CSC(=N2)C3=CC=CC=C3 1 3.411 2 1 -5.06201889488595 2533627 C=CCNC(=O)COC1=CC=C(C=C1)OC2=CC=CC=C2 1 3.05 1 3 -8.93905098380353 2533624 CC1=C(C(=NO1)C)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.361 3 2 -12.7338458322839 2533589 C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 1.451 3 4 0 -27.7973436108243 2533544 CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.987 2 2 -2.61092542259708 2533538 CN1C=CC=C1C(=O)NC2CCCCCC2 1 2.943 2 1 -7.15358322431507 2533528 CC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)Cl 1 1.896 3 4 0 -13.5364774866785 2533451 C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)C(=O)OCC(=O)N 1 0.615 3 5 0 -14.0270297304949 2533497 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC3=CC=CC=C3C2)OCC 1 2.626 2 4 -20.8318280583251 2533409 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)/C=C/C3=CC=CO3 1 2.72 2 3 -0.554072808217216 2533388 CCN(CC)C(=O)CSC1=NC=NC2=C1C=CS2 1 2.156 3 1 -16.5272894412194 2533377 C1=CC(=C(C(=C1)Cl)CC(=O)NC2=CN=CC=C2)Cl 1 2.827 2 1 -6.8093052370718 2533352 CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C 1 3.281 1 8 0 -14.2621693257835 2533346 C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 2.715 3 6 0 -10.3311504393833 2533321 C1CCC(CC1)C(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 2.84 4 4 0 -23.6255407968178 2533313 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 2.329 4 7 0 -29.5477288136036 2533281 CNC(=O)NC(=O)COC(=O)/C=C/C1=CC(=CC=C1)Br 1 1.741 2 4 0 -4.92447189731907 2533262 CC1=CC(=C(N1CC(F)(F)F)C)C(=O)CSC2=CC=C(C=C2)NC(=O)C 1 3.346 2 2 -7.67917937050578 2533231 CC1=CC=C(C=C1)C2=C(N=C(S2)C3=CC=CC=C3)CC(=O)NC4=CC(=CC=C4)OC 1 5.738 2 2 3.03972347908155 2533222 CCCN(CC(=O)NC1=NOC(=C1)C)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 2.536 3 4 0 -24.1848996388033 2533210 CC1=C(C(=CC=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C 1 2.877 3 4 0 -12.6058867718453 2533209 CN1C(=NN=C1SCC(=O)NC2CC2)C(F)(F)F 1 1.381 4 1 0 -15.3096691805101 2533203 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5 1 4.191 4 2 -3.64106656288593 2533173 CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F 1 4.894 4 2 -14.1540091080007 2533147 C1CCC(CC1)(CNC(=O)C2=CC(=C(C=C2Cl)F)F)N3CCCCC3 1 4.883 2 1 -7.09432937066674 2533134 CC1=C(C(=NO1)C)CSCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC4=CC=CC=C4 1 4.083 3 3 -12.8191631183807 2533120 CCC(=O)NC1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 1.858 3 5 0 -12.6571629693533 2533086 CN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CO2)C(F)(F)F 1 1.437 5 3 0 -15.3282741778487 2533083 CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)N 1 2.309 6 3 0 -18.1126026187649 2533071 CNC(=O)NC(=O)CSC1=NN=C(N1C)C(F)(F)F 1 0.672 5 2 0 -13.0680151469494 2533050 CC1=CSC(=N1)SCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 0.208 4 3 0 -18.7451768844278 2533048 CC1=CSC(=N1)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F 1 2.387 3 3 -15.7861495998241 2533046 CC1=CSC(=N1)SCC(=O)NC2=CC(=CC(=C2)OC)OC 1 2.255 2 3 -17.3887100079317 2533045 C1CC(=O)N(C1)CCCNC(=O)CCC(=O)C2=CC=CS2 1 0.662 2 3 0 -28.9384913267716 2533042 CC1=CSC(=N1)SCC(=O)NCC2=CC=C(C=C2)OC 1 2.278 2 2 -18.3147865198192 2533027 CC1=CSC(=N1)SCC(=O)NC2CCCCC2 1 2.569 2 1 -17.610719671814 2533003 CC1=CSC(=N1)SCC(=O)NC2=CC(=C(C=C2)OC)OC 1 2.255 2 3 -19.3568754343584 2532960 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC(=CS2)C 1 3.26 2 1 -15.9936949633544 2532953 CCC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC)C 1 3.898 2 2 -3.83967160981187 2532950 C1CC(=O)N(C1)CCCNC(=O)C2=CC(=CN=C2)Br 1 0.351 3 2 0 -20.5233456767972 2532949 COCCNC(=O)NC(=O)COC(=O)C1(CC1)C2=CC=C(C=C2)Cl 1 1.601 2 5 0 -11.6425274287166 2532948 C1CC(=O)N(C1)CCCNC(=O)COC2=CC=C(C=C2)Br 1 1.337 2 3 0 -21.9256348206984 2532939 C1CC(=O)N(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 0.548 3 4 0 -32.8441977766336 2532933 CC1=CSC(=N1)SCC(=O)NC2=CC=CC=C2 1 2.288 2 1 -14.1834108236989 2532925 CC1=CSC(=N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.866 3 3 0 -28.0112044900357 2532920 CN(CC1=CC=CC=C1OC)CC(=O)NC2=C(C=C(C=C2)Cl)F 1 3.393 2 2 -3.07599995595276 2532900 CC1=CSC(=N1)SCC(=O)NCCC2=CC=C(C=C2)OC 1 2.599 2 2 -17.7232330079534 2532896 CC1=CSC(=N1)SCC(=O)NCC2=CC=CC=C2Cl 1 2.959 2 1 -19.2654597411585 2532889 CC1=CSC(=N1)SCC(=O)NC2=CC=C(C=C2)OC 1 2.271 2 2 -14.4397228944697 2532868 COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCCCOC2=CC=C(C=C2)F 1 2.274 1 6 0 -10.2942707009711 2532867 CC1=CC=CC=C1NC(=O)CSC2=NC(=CS2)C 1 2.774 2 1 -16.7797460556516 2532865 C1=CC=C(C=C1)CCNC(=O)CCC2=CNC3=CC=CC=C32 1 3.727 2 1 -14.971583670258 2532858 CC1=CSC(=N1)SCC(=O)NC2=C(C=CC(=C2)OC)OC 1 2.255 2 3 -16.6880671108396 2532846 C1CN(CCN1C2=NC=CC=N2)C(=O)CCNC(=O)C3=CC=CC=C3 1 0.303 5 2 0 -10.2411816854967 2532845 CC1=CSC(=N1)SCC(=O)NC2=CC(=CC=C2)OC 1 2.271 2 2 -14.083017499782 2532833 CC1=C(C(=CC=C1)NC(=O)CSC2=NC(=CS2)C)C 1 3.26 2 1 -13.2087940077533 2532820 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=N2 1 0.803 3 3 0 -14.7060851614008 2532818 CC1=CSC(=N1)SCCN2C(=O)C3=CC=CC=C3C2=O 1 2.332 2 2 -9.9813560721728 2532789 CCCNC(=O)NC(=O)CSC1=NC(=CS1)C 1 1.363 3 2 0 -19.235661385397 2532772 CC1=CSC(=N1)SCC(=O)NC(=O)NCCC(C)C 1 2.071 3 2 -21.4970269142581 2532761 CCOC1=C(C=CC=N1)C(=O)NCC2(CCCCC2)N3CCOCC3 1 2.299 3 3 -14.772359768238 2532753 CC1=CSC(=N1)SCC(=O)NC(=O)NC2CCCC2 1 1.893 3 2 0 -17.0235198228686 2532750 CC1=CSC(=N1)SCC2=NN=C(O2)C3=CC=CC=C3Br 1 3.475 3 1 -10.8459260519632 2532748 CC1=CSC(=N1)SCC(=O)NCC2=CC=CS2 1 2.034 2 1 -20.62949251409 2532745 CC1=CC=C(C=C1)CNC(=O)CSC2=NC(=CS2)C 1 2.781 2 1 -18.0901169050088 2532737 CC1=CC(=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S(=O)(=O)N2 1 1.073 3 4 0 -3.92244534394063 2532727 CC1=CSC(=N1)SCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2 1 2.88 3 1 -20.7485355487766 2532699 C1CN(CCC1C(=O)NC2=NC(=CS2)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CS4 1 3.598 3 3 -5.77643502996082 2532688 CC1=CSC(=N1)SCC(=O)NC2=NC=C(C(=C2Cl)C)Cl 1 3.491 3 1 -12.2483897782467 2532675 CN1C=CC=C1C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.406 3 1 3.58171357473 2532666 CC1=CSC(=N1)SCC(=O)NCCC2=C(C=C(C=C2)Cl)Cl 1 3.944 2 1 -16.8641450840955 2532658 CC1=CSC(=N1)SCC(=O)NCCC2=CC=C(C=C2)Cl 1 3.28 2 1 -15.4882681082225 2532653 CC1=CSC(=N1)SCC(=O)NC(=O)NC(C)C 1 1.217 3 2 0 -19.8787101160635 2532651 CC1=CSC(=N1)SCC(=O)NC(=O)NC(C)(C)C 1 1.422 3 2 0 -19.4950841089266 2532645 CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CS2)C)F 1 2.979 2 1 -12.4716459536691 2532644 CN(C)C1(CCCCC1)CNC(=O)C2=C(C=CC(=C2)Cl)OC 1 3.539 2 2 -6.50517298426378 2532639 C1=COC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl 1 3.366 2 2 3.54924770883369 2532623 CC1=CSC(=N1)SCC(=O)NC2=C(C=C(C=C2)OC)OC 1 2.255 2 3 -18.5954349895066 2532614 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2=CC=NC=C2 1 1.585 3 3 0 -15.779216981782 2532582 C1=CSC(=C1)CNC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F 1 3.169 1 4 -12.459716448997 2532557 C1=CC(=CC=C1CNC(=O)C2=CC=NC=C2)S(=O)(=O)N 1 0.176 3 3 0 -13.4154113061195 2532534 CC1=CC=C(N1C)CNC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.438 3 2 -18.7146648847164 2532528 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NN=CS4 1 3.553 3 1 -7.01843696390641 2532519 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CN3C=NC4=CC=CC=C4C3=O 1 1.068 3 6 0 -13.2514830853851 2532503 CN(CC1=CC=CC=C1NCC(=O)NC2=C(C=CC(=C2)Cl)OC)C3CCCCC3 1 4.855 3 2 -7.0017755246708 2532482 C1=CC=C(C=C1)CCCNC(=O)CSC2=NN=CS2 1 2.266 3 1 -17.6992540288675 2532481 CSC1=CC=CC=C1NC(=O)CSC2=NN=CS2 1 2.023 3 1 -17.7366181223287 2532479 CC1=CC(=C(C=C1)OC)NC(=O)CNC2=CC=CC=C2CN(C)C3CCCCC3 1 4.676 3 2 -9.01682281690707 2532477 COC1=C(C=C(C=C1)NC(=O)CSC2=NN=CS2)OC 1 1.449 3 3 0 -17.7150672182023 2532461 COC1=CC=C(C=C1)N2C=NN=C2SCC3=CN=C(S3)C4=CC=CC=C4 1 4.085 4 1 2.68865137744049 2532458 C1=CC=C2C(=C1)C(=CN2)C(=O)CN3C(=O)C(=O)N(C3=O)CC4=CC=CO4 1 1.644 3 5 0 -6.52931299198263 2532437 CC1=CC=NC2=NC(=NN12)C(=O)N(C3=CC(=CC=C3)OC)C4=NC5=CC=CC=C5S4 1 3.801 6 2 0 -7.3324432471284 2532393 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CS3 1 1.06 4 3 0 -26.3693962738795 2532363 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=CS3 1 1.25 3 3 0 -15.3415180344312 2532354 COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=CS2 1 1.793 3 2 0 -16.0814247917973 2532351 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NC3=NCCS3 1 1.684 3 2 0 -21.8485328897621 2532337 C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=NN=CS3 1 2.39 3 1 -13.3612962242756 2532329 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=CC=C3F 1 4.623 3 1 -10.6320259978375 2532324 CCCNC(=O)CN(C)C(=O)C1=NNC2=CC=CC=C21 1 1.248 4 2 0 -20.1716942268615 2532314 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC3=CC=C(C=C3)OC 1 2.666 3 4 0 -12.5507150455404 2532303 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NN(C(=S)S3)C4=CC=CC=C4 1 6.547 3 2 -10.2074888740042 2532278 CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.197 2 7 0 -24.1628073358272 2532272 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NN=CS3 1 2.991 3 3 -14.8502742441198 2532266 C1=CC=C(C(=C1)C#N)NC(=O)CNC2=CC(=C(C=C2)Cl)C(F)(F)F 1 3.76 3 1 -8.60155278520548 2532265 CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC(=O)NCC=C)[N+](=O)[O-] 1 1.486 5 5 0 -26.7997453404762 2532262 C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NN=CS3 1 1.526 3 2 0 -8.33954785601662 2532242 C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCC4=CC=CC=C4 1 4.043 4 1 -17.1816221894795 2532202 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC2=C(C=C(C=C2)Br)F)N 1 2.197 3 4 0 -8.19787022979726 2532198 CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC3=CC=C(C=C3)C4=NN=CO4 1 3.542 3 3 -6.49327320795704 2532195 CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 4.161 4 3 0 -1.74204261131705 2532190 CCCNC(=O)NC(=O)CSC1=NN=CS1 1 0.558 4 2 0 -17.5938531692408 2532163 C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)CSC3=NN=CS3 1 1.047 4 4 0 -14.2137236395043 2532159 CC(C)CCNC(=O)NC(=O)CSC1=NN=CS1 1 1.265 4 2 0 -19.8552186981019 2532131 C1=COC(=C1)CNC(=O)NC(=O)CSC2=NN=CS2 1 0.45 4 3 0 -16.1466541189956 2532127 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=O)COC3=CC(=CC=C3)F)OC 1 4.329 2 6 0 -13.1162248383389 2532121 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=O)COC3=CC(=CC(=C3)C)C)OC 1 5.095 2 6 0 -16.0647548492298 2532110 C1CCC(C1)NC(=O)NC(=O)CSC2=NN=CS2 1 1.087 4 2 0 -15.3817116067124 2532109 CC1=C(C=C(C=C1)F)NCC(=O)NC2=CC=C(C=C2)Br 1 3.715 2 1 -4.26674234445201 2532108 CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC=CC=C3 1 2.512 3 3 -7.85037774454913 2532107 CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NN=CS2)C3=CC=CC=C3 1 3.661 5 1 -14.4019275262586 2532093 CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NCCC3=CCCCC3)C 1 4.16 5 1 -27.6003009865806 2532088 CC1=C(C=CC=C1Cl)NC(=O)CNC2=CC=CC(=C2)C(F)(F)F 1 4.368 2 1 -0.748107258506172 2532080 CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=CS3 1 0.986 5 3 0 -14.3103005121186 2532054 CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC4=NN=CS4 1 2.361 5 2 0 -18.561132608111 2532053 CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CS3 1 2.945 2 2 -8.81809719494299 2532044 COCCNC(=O)COC1=CC=C(C=C1)NC2=CC=CC=C2 1 2.292 2 3 -10.7641755214582 2532036 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NN=CS3 1 2.457 3 2 -12.0976947845624 2532010 CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=CS3)C 1 3.755 3 1 -9.79811192735798 2532003 C1=CSC(=C1C(=O)N)NC(=O)CSC2=NN=CS2 1 0.27 4 2 0 -16.1201653314022 2532000 CN1C=CC=C1C(=O)OCC(=O)C2=CC3=CC=CC=C3O2 1 3.127 1 4 -4.21808874338376 2531998 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NN=CS3 1 3.282 3 3 -14.4737434079676 2531992 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=CS2 1 2.104 3 3 -21.6586324999166 2531984 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4 1 2.744 3 5 0 -11.9938209491355 2531969 CC1=NC(=CS1)CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)O 1 1.328 3 4 0 -11.3568614331387 2531961 CN(C)CCCN(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)OC(F)F 1 5.638 3 1 -7.27642260950445 2531869 C1CN(CCN1)CC(=O)NC2=CC=CC=C2Cl 1 1.042 3 1 0 -9.29564611469036 2531853 C1=CC=C(C(=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NC(=O)N)F 1 1.463 4 4 0 -9.35862210574478 2531831 C1=CC(=CN=C1)CNC2=C3C=CSC3=NC=N2 1 1.892 4 0 0 -4.64002835613568 2531799 CCN(CC)C(=O)C1=NC=CC(=C1)Cl 1 1.883 2 1 0 -8.00220365283247 2531772 CC(=O)N(C)CC1=CC=C(C=C1)C(=O)CCl 1 1.435 1 2 0 -4.11247819718551 2531748 CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4 1 1.782 2 7 0 -17.655788961863 2531742 C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NC=CC=N3 1 2.807 3 1 -12.2056247523098 2531739 CC1=CC(=C(N1C2=NC=NN2)C)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5 1 4.709 7 1 0 -10.5733113859069 2531714 CC1=CC(=C(C=C1)C)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.793 1 4 -1.26328896667461 2531684 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)NCC3=CC=C(C=C3)OC 1 3.725 1 6 0 -3.97581209634745 2531674 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 1.471 7 4 0 -21.8983280698611 2531633 CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4)C)C 1 5.957 4 3 0 -8.12308949825519 2531621 CC1=CC(=C(C=C1C(=O)COC(=O)CCNS(=O)(=O)C2=C(C=CC=C2Cl)Cl)C)C 1 4.739 1 5 -10.0796943540252 2531589 C1COCCN1CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OCC4=CC=CC5=CC=CC=C54 1 2.87 3 4 0 -8.33499549316816 2531569 C1=CC=C(C=C1)C2=NN=C(O2)CSC3=NN=C(S3)N 1 1.716 5 1 0 -6.79059349825095 2531565 CC1=C(C=C(C=C1)NC(=O)COC2=NC(=CS2)C)C 1 2.702 2 2 -6.40909319432778 2531536 CC1CCC(CC1)NC(=O)C2=CC3=C(C=C2)N=CN3 1 2.663 3 1 -10.8056679003638 2531528 C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=C(O3)C4=CC=CC=C4Br 1 3.884 3 2 -17.569814140388 2531524 CC1=CC=CC2=C1N=C(C=C2C)N3CCN(CC3)C4=CC=C(C=C4)OC 1 4.683 3 1 5.73719833607603 2531505 CC1=CSC(=N1)OCC2=CC=C(C=C2)C#N 1 2.555 2 1 -2.4032152905304 2531502 CC1=CC=C(C=C1)NC(=O)COC2=NC(=CS2)C 1 2.216 2 2 -6.16117837968767 2531496 CC1=NC=C(N=C1)C(=O)NCC2=CC=C(C=C2)OC 1 1.015 3 2 0 -13.4338981014716 2531461 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=C(C=C4C(=O)OC)OC)OC)OC 1 4.537 2 7 0 -14.6499390486421 2531448 CC1=CC=NC2=NC(=NN12)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 1.259 6 2 0 -10.9350863815292 2531445 CC1=CC=NC2=NC(=NN12)C(=O)NC3=NC=CS3 1 0.406 6 1 0 -11.7307269999358 2531424 C1=CC=C(C(=C1)C2=NN=C(O2)SCC3=NC4=CC=CC=C4S3)Br 1 4.821 3 1 -4.99785578681524 2531414 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CC3=CC=CC=C3OC 1 3.544 2 4 -5.66139314962375 2531393 CCCCNC1=NN=C(S1)SCC(=O)C2=CNC3=CC=CC=C32 1 3.601 4 1 -11.1324582409169 2531361 CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)N 1 2.687 3 3 -12.8457485870158 2531341 CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N 1 2.207 4 4 0 -9.54414932374826 2531339 CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2CCCCC2 1 2.983 2 2 -9.33126461800786 2531334 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=C5)OC 1 4.973 3 3 -4.92792578330377 2531332 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CNC(=O)C=C3 1 0.196 2 4 0 -12.6677347025826 2531328 CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC(=CC=C3)OC)SCC(=O)NC4=NOC(=C4)C)C 1 4.657 4 4 0 -32.5660667648798 2531312 CC(=O)NC1=CC=C(C=C1)SCC(=O)C2=CC=C(S2)Br 1 3.269 1 2 -4.97520289445622 2531299 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.671 4 2 0 -8.83184845911083 2531282 C1=CC(=CC=C1CCNC(=O)CSC2=CC=C(C=C2)Cl)S(=O)(=O)N 1 2.705 2 3 -11.8407364709724 2531281 CN(CC1=CC=CC=C1OC)S(=O)(=O)C2=CC=CS2 1 2.3 1 3 -5.9158249003618 2531272 COC1=C(C=C(C=C1)CCNC(=O)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F)OC 1 3.638 2 5 0 -14.1833241018777 2531261 CN(CC1=CC=CS1)S(=O)(=O)C2=CC=CS2 1 2.057 1 2 -5.2278655538399 2531246 CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3CCCC3 1 3.147 3 1 -6.39262202173896 2531232 CC1=CC(=NO1)C(=O)NC2=NC3=C(S2)CCCC3 1 2.03 3 2 -14.1741381889661 2531231 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3 1 2.497 5 2 0 -10.9451357316837 2531217 CCCCS(=O)(=O)NC1=CC2=C(C=C1)C=NN2 1 1.713 3 2 0 -2.83703172855874 2531195 CC1=CC=CC=C1OCCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.893 2 5 0 -12.7399462410126 2531194 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=C(C=CC=C2Cl)F 1 3.895 1 3 -8.99420602898395 2531188 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)N 1 0.988 2 5 0 -15.4431597681201 2531186 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4 1 4.017 2 3 -5.48163420321772 2531182 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 2.072 6 4 0 -15.4044167387208 2531180 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC3=CC=CC=N3 1 0.977 3 4 0 -25.6867987021516 2531171 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43 1 2.685 4 2 -11.7556766101778 2531157 CC1=CC(=NC2=NC(=NN12)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C 1 1.726 6 3 0 -24.2141417297872 2531134 COC1=CC(=CC(=C1OC)OC)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.785 1 3 -7.46526744951665 2531099 CC1=CC=CC=C1C2=NN(N=N2)CC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.825 5 3 0 -12.7940660996072 2531077 CC1=CC=C(C=C1)SCCC(=O)NN=CC2=CC=NC=C2 1 2.66 3 1 -5.86015602173293 2531071 C=CCNC1=NC(=CS1)C2=CC3=CC=CC=C3O2 1 3.322 2 1 5.81185836167765 2530956 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 2.059 6 4 0 -9.47615639433082 2530952 C1=CC=C(C(=C1)C2=NN=C(O2)CN3C(=O)C(=C(C=N3)Cl)Cl)Br 1 2.462 4 2 2.17445744275593 2530944 COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)NC2CC2 1 1.966 1 4 0 -10.9791362105859 2530939 COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3 1 4.34 1 4 -5.47682163014598 2530913 C1=CC=NC(=C1)CCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.627 3 3 -10.0193318197631 2530903 CC1=C(C=CC(=C1)F)NCC(=O)NC2=C(C=CC(=C2)Cl)OC 1 3.614 2 2 -6.20646723953393 2530900 CC1=C(C=CC(=C1)F)NCC(=O)NC2=CC=CC=C2Br 1 3.715 2 1 -7.1656809802682 2530893 CC1=CC=CC=C1OCCOC(=O)C2=NN3C(=CC=NC3=N2)C 1 2.598 4 3 0 -11.7559451036033 2530892 CCNC(=O)CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.114 2 3 -8.54795874809351 2530859 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC4=C(CCC4)C=C3 1 4.14 2 1 -8.18106335909507 2530851 CC1=C(C=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C 1 2.778 3 5 0 -35.0001444337864 2530829 CC1=NC(=CS1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N 1 0.886 4 3 0 -21.529867792251 2530798 C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F)S(=O)(=O)N 1 1.674 2 5 0 -13.8169010609824 2530774 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(O3)C4=CC=CO4 1 2.211 6 5 0 -17.5795103772342 2530755 CN1C=CC=C1C(=O)NC(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.417 3 6 0 -12.021798369384 2530719 CC(=O)C1=CC(=C(C=C1)OC)CN2N=C(N=N2)C3=CC=CC=C3Br 1 3.56 4 2 -3.05692365101627 2530637 CC1=CC=NC2=NC(=NN12)C(=O)OCCOC3=CC=C(C=C3)Cl 1 2.776 4 3 0 -10.0840681021086 2530629 CC1=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4 1 3.877 4 2 -15.3919765442073 2530627 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F 1 2.919 5 5 0 -17.8278902466621 2530591 CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 2.572 6 5 0 -23.4604092522291 2530578 C1CN(CCN1CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br)C4=NC=CC=N4 1 2.083 6 1 0 4.70669919697809 2530569 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)OC 1 2.167 5 3 0 -18.5498283319169 2530557 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NC4=CC=CC=C4N3 1 4.029 4 3 0 -10.4977768231092 2530545 CN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)OC)Cl 1 4.284 2 4 -13.3773981160304 2530538 CC1=C(SC=C1)C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 5.122 1 1 -13.3334324417616 2530535 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 0.884 6 3 0 -21.7108779768278 2530524 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=C(C(=CC(=C2C)C)C)C 1 4.209 4 3 0 -12.8952381304277 2530477 CCOC1=CC=C(C=C1)CN(C)C(=O)C2=NC3=CC=CC=C3C=C2 1 3.774 2 2 -6.49425812707772 2530378 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NCCCN3CCOCC3)C 1 1.581 4 2 0 -12.361282078069 2530343 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC(=O)NCC3=CC=CO3 1 1.932 5 3 0 -20.9269915710946 2530327 CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4 1 4.849 3 2 -12.2487273569998 2530304 CN(CC(=O)N1CCOCC1)C(=O)CSC2=NC3=CC=CC=C3S2 1 1.216 3 3 0 -16.776687619942 2530291 CC1=CC(=CC=C1)NC(=O)CNC2=C(C=CC(=C2)C)C 1 3.733 2 1 -4.69485662438871 2530282 C1CC1NCC2=NN=C(O2)C3=CC=CC=C3Cl 1 2.014 3 1 -1.79728173253585 2530279 CCCNCC1=NN=C(O1)C2=CC=CC=C2Cl 1 2.397 3 1 -3.02742318104159 2530261 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=C(C=CS3)C#N 1 2.629 5 1 -22.2596029560841 2530255 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=C(C=CS3)C(=O)N 1 1.752 5 2 0 -20.9236881957386 2530249 C1=CC=NC(=C1)CNC(=O)CNC(=O)C2=CC=C(C=C2)F 1 0.951 3 2 0 -14.6527133599451 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CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCC3)OC 1 1.296 3 5 0 -19.534322390024 2529999 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4 1 2.202 4 4 0 -22.3955932852046 2529983 C1CC1NS(=O)(=O)C2=CC=C(C=C2)C#N 1 1.109 2 2 0 -9.8420536442302 2529982 C1CC1NC(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)/C#N 1 1.844 3 5 0 -27.139568561723 2529980 CN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)Cl 1 2.246 2 2 -7.2191927369535 2529951 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 0.823 4 5 0 -23.3389001100374 2529944 C=CCNC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 1 3.059 1 2 -12.4843451258654 2529929 CCN1C(=O)C2=C(N=C1SCC3=CC=C(O3)C(=O)OC)SC4=C2CCCC4 1 4.667 2 4 -27.347753761472 2529898 CCN1C(=O)C2=C(N=C1SCC(=O)NCCOC)SC3=C2CCCC3 1 2.684 3 3 -34.6799925725805 2529893 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)NC(=O)NC3CCCC3 1 3.34 2 6 0 -2.88929957916168 2529884 CCN1C(=O)C2=C(N=C1SCC(=O)NC3=NOC(=C3)C)SC4=C2CCCC4 1 3.53 4 3 0 -36.7723326497003 2529882 C1=CC(=CC=C1N2C(=NN=N2)SCC3=CC(=O)N4C=CSC4=N3)O 1 1.423 6 2 0 -23.9912871041888 2529879 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=NC4=CC=CC=C4S3 1 2.98 4 3 0 -7.21675899481511 2529869 CN(CC1=CC=CC=C1OC)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.695 2 4 0 -11.4609365915808 2529858 COC1=C(C=C(C=C1)COC2=CC=CC=C2C(=O)N)F 1 2.588 1 3 -2.96855695124325 2529822 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4 1 4.418 4 2 -7.76253108816038 2529809 CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=C(N3C)C4=CC=NC=C4 1 3.749 5 1 -4.87424693314972 2529783 CN(CC1=CC=CC=C1NCC(=O)NC2=CC=CC=C2C#N)C3CCCCC3 1 4.085 4 1 -9.23083610407191 2529756 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C4=C(S3)CCC4)C(=O)N 1 1.577 4 4 0 -15.5362037999831 2529730 CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=CSC5=N4 1 4.164 4 2 -24.5542714652524 2529706 COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CSC(=N3)C4=CC=C(C=C4)Cl 1 5.852 4 1 -4.02038029206568 2529661 CN(CC(=O)NC1=CC(=CC=C1)OC)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 3.094 3 3 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COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC=CC=C3)CCC#N 1 3.18 4 2 -9.65914300967012 2529488 COC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)CCC#N 1 2.019 3 3 -3.67155798838201 2529484 C1=CC=C(C(=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)CCC#N)Br 1 3.892 4 1 -10.2396227496067 2529482 C1=CSC(=C1)C2=NN(C=C2C(=O)N)CCC#N 1 1.361 4 1 0 -6.95889217523509 2529471 COC1=CC=CC=C1NC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)CCC#N 1 3.379 4 2 -7.75103372790373 2529467 C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C(=O)O)CCC#N 1 2.63 3 3 1.06758726161103 2529454 C1=CC=C(C=C1)CNC(=O)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 3.349 2 3 -10.8970841563996 2529438 COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC=C3Br)CCC#N 1 3.922 4 2 -6.82440324786447 2529435 COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)CCC#N 1 3.127 4 2 -9.16526349409684 2529430 C1=CC=C(C=C1)CNC(=O)C2=CN(N=C2C3=CC=CS3)CCC#N 1 3.15 4 1 -13.0743625114123 2529422 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)CCC#N 1 2.913 4 3 0 -9.14915454053195 2529406 C1OC2=C(O1)C=C(C=C2)CNC(=O)CNC(=O)C3=CC=C(O3)Br 1 1.412 2 5 0 -15.985063138707 2529401 CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.717 2 4 -24.9103183481164 2529376 C1=CC(=CC=C1CCNC(=O)CNC(=O)C2=CC=C(O2)Br)S(=O)(=O)N 1 0.671 3 5 0 -19.3686517234561 2529357 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCC(CC3)C(=O)N 1 2.059 3 5 0 -16.9504440232946 2529352 CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)NCC4=CC=CO4 1 1.87 4 5 0 -25.0429359779847 2529308 COC1=CC(=C(C=C1)Br)C(=O)NC2CCCC2 1 3.172 1 2 -5.48483989889774 2529296 COC1=CC=C(C=C1)CCC(=O)NNC(=O)C2=CC=C(C=C2)F 1 2.551 2 3 -9.79550734245606 2529294 C1CCC(C1)C(=O)NNC(=O)C2=CC=C(C=C2)F 1 2.082 2 2 -4.05156099948877 2529206 CC(C)(C)NC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)Cl 1 2.16 5 1 -5.85626435904056 2529191 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)Cl 1 4.592 5 1 -0.824259872056007 2529184 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)Cl 1 3.428 5 3 0 -9.02258320186802 2529158 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CN(C4=C(C3=O)C=CC(=N4)C)CC 1 1.842 6 4 0 -9.02029673266367 2529155 C1=CC(=CC=C1C2=NN(N=N2)CC3=CC(=O)N4C=CSC4=N3)Cl 1 2.034 6 1 0 -7.00628851061983 2529144 COC1=CC=C(C=C1)CNC(=O)CCC2=CNC3=CC=CC=C32 1 3.389 2 2 -14.9928754894759 2529131 C1CCC(=CC1)CCNC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)Cl 1 3.557 5 1 -9.10915831400137 2529114 C=CCN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)COC4=CC=CC=C4F 1 3.746 4 3 0 -13.9223746817005 2529111 COC1=CC=C(C=C1)OCCN2N=C(N=N2)C3=CC=C(C=C3)Cl 1 3.785 4 2 3.76151583968681 2529107 CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)/C=C/C2=CC(=CC=C2)Cl)N 1 1.543 4 4 0 -4.59265796880271 2529101 CC1=CC=C(S1)C(=O)NC2=NC=CS2 1 1.71 2 1 0 -5.16344802017336 2529082 CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)CSC3=NC4=CC=CC=C4S3 1 5.696 4 1 -9.13883077454764 2529079 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=CC=CC=C3OC(F)F 1 3.16 3 4 0 -11.0186522187101 2529074 CCOC(=O)C1=C(NC(=C1C)C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)Cl)C 1 3.646 5 3 0 -3.06255244541563 2529066 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F 1 3.185 4 3 0 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CC1=CC=C(O1)/C=C/C(=O)OCC(=O)NCC2=CC=CC=C2 1 2.337 1 4 -10.0770909651406 2526628 C1=CC(=CC=C1CNC(=O)CN2C=NC=N2)Cl 1 1.103 4 1 0 -16.46054683621 2526594 CCCN1C(=O)C2=CC=CC=C2C(=N1)C3=NN=C(O3)C4=CC(=C(C=C4)C)C 1 4.254 4 2 -2.39122458508974 2526579 CCN(CC)CCCNC1=NC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)OCC(C)C 1 3.853 5 2 0 -3.69667806805999 2526565 CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)O 1 2.167 4 5 0 -25.3854103304867 2526561 CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)O 1 2.918 4 4 0 -24.1309863317251 2526557 C1=CC(=C(C=C1NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)O)C(F)(F)F)Cl 1 2.64 4 4 0 -22.7102515994972 2526553 C1=CC(=CC=C1NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)O)Br 1 1.781 4 4 0 -22.2274874003978 2526489 COC1=C(C=C(C=C1)C(=O)N2CC(=O)NC3=CC=CC=C32)S(=O)(=O)N4CCCC4 1 1.188 3 5 0 -25.8590257679611 2526480 CC1=CC=C(O1)/C=C/C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 3.001 1 4 -7.44027736977416 2526474 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4 1 2.141 3 5 0 -11.2580565455029 2526433 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)C3=CC=CS3 1 3.2e-002 4 5 0 -20.7756308088896 2526418 CC1=C(C(=C(C=C1)Cl)NC(=O)CN2CCN(CC2)C(=O)C)Cl 1 1.988 3 2 0 -5.97045331646724 2526408 CC(=O)N1CCN(CC1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl 1 0.716 4 2 0 -4.32372246204145 2526404 CCOC1=C(C=CC=N1)C(=O)N2CCCSC2=NC3=CC=CC=C3OC 1 3.652 3 3 -13.8275518304008 2526390 CN(CC1=CC=C(C=C1)SC)CC(=O)NCC2=CC=C(C=C2)F 1 3.294 2 1 -4.88526268335692 2526383 CN(CC1=CC=C(C=C1)Cl)CC(=O)NC2=CC=CC(=C2)C#N 1 3.083 3 1 -3.64541555194025 2526378 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3OC 1 2.316 3 3 -11.8096019115069 2526375 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)/C=C/C2=CC=CS2 1 3.321 2 2 -12.9742957328941 2526371 CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)/C=C/C2=CC=CO2)N 1 1.21 4 4 0 -8.7880504289286 2526335 CCC1=NN=C(S1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.207 5 5 0 -40.0670994035007 2526305 CCCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 3.891 3 3 -9.48963588030388 2526278 C1=CC=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)OCC3=CC=C(C=C3)F 1 3.42 2 4 -12.5108732335667 2526270 CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(S3)C 1 2.651 4 0 -8.47234704262534 2526263 COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC 1 3.072 2 5 0 -22.861924218691 2526259 COC1=CC(=C(C=C1)NC(=O)CCNC(=O)C2=CC=CO2)OC 1 1.285 2 5 0 -16.4605691879768 2526231 C1CC1(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 4.099 1 1 -3.90239914982934 2526222 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)CCCC3 1 3.114 2 3 -15.4282335122652 2526194 C1CCC(CC1)NC2=NN=C(S2)SCC(=O)NN3C(=O)C4(CCCCC4)NC3=O 1 2.41 6 3 0 -17.6626614505942 2526184 C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)CSC3=NN=C(S3)N 1 0.469 6 3 0 -14.2417256823044 2526148 CC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)O)CC3=CC=CC=C3)C 1 5.08 2 2 3.04172796308258 2526141 C1=CC=C(C=C1)N2C(=NN=N2)OC3=CC=C(C=C3)C4=NN=CO4 1 2.117 6 2 0 -3.72516344401767 2526136 CC1=C(C=C(C(=N1)SCC(=O)O)C#N)C(=O)C 1 1.143 2 3 0 -16.0752968251753 2526085 CC(C)CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC 1 2.865 5 6 0 -7.16904731802948 2526129 COC1=CC=CC=C1C2=NN(C=C2/C=C/C(=O)O)CC3=CC=CC=C3 1 4.091 2 3 -3.59398948846021 2526122 CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)F 1 3.345 6 0 -8.62896383037567 2526110 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C2=NC=CN=C2 1 0.863 4 1 0 -7.42332413453559 2526025 CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC)C 1 4.135 1 1 -8.72445540905186 2526043 C1CN(CCC1C(=O)N)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 1.08 3 4 0 -5.54619617067887 2525992 CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)O 1 2.124 3 2 -6.71716130598426 2525984 C1CC1C2=NN(C(=C2)C(=O)O)C3=CC=CC=C3 1 3.018 2 2 -1.71162708041476 2525976 CC1=CC(=CC=C1)CSC(=N)N 1 2.493 2 0 -1.62844511051185 2525973 CSC1=C(C=C(C=C1)C(=O)NCC(=O)O)[N+](=O)[O-] 1 0.955 2 5 0 -14.7000904908602 2525970 CCC1=CC=C(C=C1)C(=S)N 1 2.642 1 0 -1.50464471204081 2525957 COC1=CC=CC=C1NC2=NC(=C(S2)C=O)Cl 1 2.648 2 2 0.473248003476519 2525930 CC(=O)C1=CC(=C(C=C1)OC)COC 1 1.357 0 3 0 -5.28920002614108 2525922 CC1=CC(=C(N1C2CC2)C)C(=O)COC3=C(C=C(C=C3)F)Br 1 4.103 1 2 -4.65122273816745 2525873 CC1=CC(=C(C=C1Cl)OC)NC(=O)CN(C)CC2=C(C(=CC=C2)OC)OC 1 3.641 2 4 -6.66219725257015 2525863 CSCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.608 2 3 -2.40349880005294 2525858 COCC1=C(OC2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)Cl)F 1 3.883 1 3 2.63268014414221 2525856 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CS3 1 1.166 2 4 0 -26.075648318135 2525850 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=COCCO3)C 1 0.714 2 5 0 -19.9004682475548 2525829 CC1=C(C=CO1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4C(=O)N3CC#N 1 2.109 6 2 0 -12.3546558396474 2525786 CC1=C(C=CC(=C1)S(=O)(=O)NC2=C3C4=C(CCCC4)SC3=NC(=N2)CN5CCOCC5)F 1 3.863 4 3 0 -12.1072770247855 2525784 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=CS3 1 1.257 3 3 0 -17.955266031744 2525782 CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3 1 5.779 4 2 -18.5113021858437 2525769 CC1=CC=CC=C1NC2=NC(=CS2)CSC3=NN=C(N3C)C4=C(OC=C4)C 1 3.852 5 1 -1.43084676536945 2525767 CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NN=C(N2CC(C)C)C3=CC=CO3 1 4.766 4 3 0 -16.7275069239454 2525732 C1=CC=C(C=C1)N2C(=S)SC(=N2)SCCOC3=CC=CC=C3 1 6.567 2 1 -4.22458169586511 2525704 CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)OCC(=O)NC3=C(C=CC(=C3)OC)OC)Cl)Cl 1 3.922 2 6 0 -10.5983212946399 2525700 CC1=CC=CC=C1CN(C)C(=O)C2=NC3=CC=CC=C3C=C2 1 3.928 2 1 -6.40324347270519 2525677 C1=CSC(=C1)CNC2=C3C=CSC3=NC=N2 1 2.783 3 0 -4.54546589826807 2525671 CC(=O)NC1=CC=CC=C1OCC(=O)C2=CC3=C(C=C2)OCO3 1 1.957 1 5 0 -12.5159665880379 2525653 CSC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2CC2 1 2.244 1 3 -6.44286430993857 2525652 C1COCCN1C2=CC=C(C=C2)NC3=C4C=CSC4=NC=N3 1 3.051 4 1 0.695292628668603 2525644 C1=CC=NC(=C1)CCNC(=O)COC2=CC=C(C=C2)C#N 1 1.648 3 2 0 -12.8309298177682 2525635 CN(CC1=C(C=C(C=C1)Cl)Cl)C(=O)CCNC(=O)C2=CC=CO2 1 2.859 2 3 -10.5252886912341 2525613 CN(CC1=CC=CC=C1OC)C(=O)CNC(=O)C2=CC(=CC=C2)Cl 1 2.535 2 3 -11.2372115825222 2525612 C1=CC=NC(=C1)C(=O)NC2=C(C=CS2)C#N 1 1.557 3 1 0 -10.990923038091 2525606 C1=CC=C(C(=C1)CC(=O)NCC(=O)NC2=C(C=CC(=C2)Cl)Cl)F 1 3.243 2 2 -11.6926074629865 2525601 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=C(N=CC=C2)SC 1 2.724 2 3 -10.4341446748916 2525578 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=C(C=CS3)C#N 1 2.748 3 1 -9.27164235599552 2525555 CC1=CC(=C(N1C2CC2)C)C(=O)COC3=CC=CC=C3C(=O)N 1 2.151 2 3 -7.93358367320706 2525496 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)[N+](=O)[O-] 1 0.988 3 7 0 -18.0156795369554 2525493 CCCCN1C(=O)C(=O)N(C1=O)CC(=O)NC2=C(C=CC(=C2)Cl)OC 1 1.943 3 5 0 -9.51676981942472 2525456 C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC3=CC=C(C=C3)F 1 3.558 2 2 -7.03341498466368 2525399 C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)OCC3=NC4=CC=CC=C4S3 1 3.316 2 4 -9.73650548271508 2525358 C1CCC(CC1)NC(=O)COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3 1 3.778 1 4 -16.4481825428373 2525356 C1=CC=C(C=C1)CN2C(=O)NN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.542 5 4 0 -20.4180817374762 2525258 CC(C)CNC(=O)COC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2 1 3.112 1 4 -18.0652896110956 2525273 COC1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.471 3 4 0 -2.64150968368598 2525277 C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C=CC3=O)C(F)(F)F 1 1.708 2 2 0 -11.4811360286373 2525315 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NCC3=CC=CS3 1 3.602 2 1 -17.0351236190759 2525309 COC1=CC=C(C=C1)CCNC(=O)CCC2=CNC3=CC=CC=C32 1 3.71 2 2 -14.4013219776101 2525307 CC1=CC(=NO1)NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)OC 1 2.336 5 3 0 -14.8502805467658 2525306 CC1=NN=C(S1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 0.956 4 3 0 -31.7241272066503 2525279 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CSC2=NNC(=N2)N 1 2.356 5 2 0 -6.24064481996772 2525250 C1CN(CCN1C(=O)C2=COCCO2)S(=O)(=O)C3=C(C(=CC=C3)Cl)Cl 1 1.07 2 5 0 -17.9447580517759 2525248 CC(C)CCNC(=O)COC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2 1 3.501 1 4 -21.3832066437474 2525240 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3=CN=CC=C3)C 1 1.94 2 3 0 -9.3146426778322 2525211 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 1.484 5 6 0 -8.38412919308091 2525184 C1CN(CCN1C(=O)CNC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC=C3 1 1.367 4 3 0 -22.8789359367034 2525137 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2 1 0.157 2 4 0 -21.6955133150623 2525125 CCCCC(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2C)N 1 2.882 5 2 0 -10.564060266347 2525116 COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3CCCCC3 1 2.612 5 2 0 -15.323550696217 2525087 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CC2=CC=CC=C2F 1 2.976 2 3 -16.9055840537383 2524974 C1CN(CC(=O)N1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.154 2 3 0 -17.0653734229569 2524964 C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5F 1 2.347 3 5 0 -13.8918304780088 2524957 C1=CC=NC(=C1)CNC(=O)COC2=C(C=C(C=C2)F)Br 1 2.475 2 2 -9.70964365225898 2524943 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=NC=C3)Cl 1 2.169 3 3 -20.7381949791532 2524918 CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)N 1 2.678 4 3 0 -10.4864440399149 2524914 C1=CC=C(C=C1)CCCNC(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 2.41 2 3 -17.9912030974215 2524890 C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCCC3=CC=CC=N3 1 2.974 2 3 -10.5017798614655 2524858 COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC(=CS3)C4=CC=C(C=C4)F)OC 1 4.003 3 3 -6.64892465529968 2524847 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(CCC4)C=C3 1 4.546 3 2 -27.0829127331605 2524844 C1=CN=CC=C1CNC(=O)C2=CC(=CN=C2)Br 1 1.068 3 1 0 -7.12430752559961 2524825 COC1=CC=CC=C1N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=CS4 1 2.401 4 2 -3.5556538966388 2524808 COC1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)C(=O)N(C2=O)CC3=CC=CC=C3 1 1.517 3 6 0 -10.854972661964 2524807 CN(CC1=CC=CS1)C2=C3C=CSC3=NC=N2 1 3.136 3 0 -3.58653266939398 2524804 CCCN1C(=O)NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 3.454 4 2 -14.4753224533406 2524803 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NCC3=CC=C(C=C3)F 1 2.033 4 2 -12.4371068408851 2524752 COC1=CC(=C(C=C1NC(=O)CCCN2C3=CC=CC=C3OC2=O)Cl)OC 1 3.383 2 5 0 -10.7423099531143 2524772 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 1.096 2 7 0 -16.1933589039683 2524769 C1CN(CCN1C(=O)C2=CC3=CC=CC=C3O2)S(=O)(=O)/C=C/C4=CC=CC=C4 1 2.365 2 4 -2.70684810683452 2524760 CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CN3C=NC4=CC=CC=C4C3=O 1 3.219 5 2 0 -20.622243796497 2524758 C1C(=O)NC2=CC=CC=C2N1C(=O)C3=NC=CN=C3 1 -0.246 4 2 0 -15.5299918584186 2524738 CC(C)(CNC(=O)C1=CC2=CC=CC=C2O1)N3CCOCC3 1 2.041 2 3 -5.38844150494767 2524729 CC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)NC3=CC=CC=C3C 1 3.321 2 4 -20.0241638530595 2524726 CCOC1=CC=C(C=C1)NC(=O)CNC2=C(C=C(C=C2)C)Cl 1 3.758 2 2 -4.72526257875991 2524725 CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2F 1 2.767 2 3 -12.7353011225896 2524724 C1CN(CCN1C(=O)CNC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3 1 1.367 4 3 0 -24.052995937999 2524719 C1CN(CCN1C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 1.614 2 3 0 -17.0973674784489 2524709 C1CN(CCN1C(=O)CN2C=NC3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=C(C=C4)F 1 1.011 4 4 0 -23.5972551580876 2524699 CN(CC1=CC(=C(C=C1)OC)OC)CC2=C(C=CC3=C2C=CC(=C3)Br)O 1 4.869 1 3 7.55771186809207 2524696 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 2.11 2 5 0 -8.08128668895285 2524680 COC1=CC=C(C=C1)C2=NN=C(N2N)SCCOC3=CC=C(C=C3)OC 1 3.31 4 3 0 -5.00644308048107 2524675 CC1=CC(=CC=C1)OCCSC2=NN=C(N2N)C3=CC=C(C=C3)OC 1 3.812 4 2 -2.96259679264339 2524665 CC1=CSC(=N1)SCC(=O)NC2=C(C=CS2)C(=O)N 1 1.076 3 2 0 -17.7619735475584 2524643 CCN1C(=O)C(=O)N(C1=O)CC(=O)NC2=C(C=CC(=C2)C)C 1 1.287 3 4 0 -10.1807503671178 2524633 C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)NCC3=CN=CC=C3 1 -0.26 4 3 0 -10.0115862208168 2524618 CN(CC1=CC=CS1)C(=O)CSC2=NC(=CC(=N2)N)N 1 1.288 5 1 0 -14.1555601190321 2524595 CN(CC1=CC=CC=C1F)C2=C3C=CSC3=NC=N2 1 3.602 3 0 -1.10956458037177 2524592 C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=CC=C(C=C2)Cl 1 3.379 1 3 -7.04131200374212 2524581 COC1=CC=C(C=C1)N2C=NN=C2SCCC#N 1 2.022 4 1 -7.46136060923993 2524579 C1=CC(=C(C(=C1NC(=O)CNC(=O)CSC2=NC3=NC=C(C=C3N2)Cl)F)F)F 1 2.451 5 2 0 -13.2821744021254 2524561 CC1=CC(=C(N1C2CC2)C)C(=O)COC3=C(C=C(C=C3)C(=O)C)OC 1 2.873 1 4 -12.6759955937126 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CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)SCN3C(=O)C4=CC=CC=C4N=N3 1 4.979 6 2 0 -24.6305444941108 2521379 CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 1.903 6 4 0 -21.2868829780767 2521371 CN1C=NN=C1SCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.188 4 1 -26.5432724364395 2521362 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(N=CC=C3)Cl 1 3.274 4 1 -5.79053377153555 2521214 CC1=C(C=CC(=C1)NC(=O)CC2=CSC(=N2)C3=CC=CC=C3)Br 1 4.693 2 1 -1.90635033032319 2521238 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C 1 3.068 2 4 -6.92710096845838 2521230 C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.801 2 2 -7.78018449269984 2521207 CCC1=C(C=C(S1)C(=O)NC2=CC=CC=C2N3CCOCC3)C 1 3.716 2 2 -6.51250869184084 2521201 C1CC1NC(=O)COC(=O)COC2=CC=C(C=C2)Cl 1 1.734 1 4 0 -10.1791849968924 2521191 CCCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC3=C(C=C2)OCO3)OCC 1 4.235 1 5 -10.2496813757404 2521180 C1=CC=C(C=C1)C2=C(SC=C2)C(=O)NC3=CC=CC=C3Cl 1 4.75 1 1 -2.14606256918107 2521169 CSCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.526 1 4 -4.27169121399979 2521144 C1CN(CCN1C(=O)CCC(=O)NC2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.736 3 4 0 -21.6180135655349 2521107 CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=NN2 1 2.693 4 2 -12.149946303146 2521098 CCCC1=CC(=O)N=C(N1)SCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)F 1 2.055 4 3 0 -21.1081697353576 2521087 CCN1C2=C(C=C(C=C2)NC(=O)CN(C)CC(=O)NC3=CC=C(C=C3)N4CCOCC4)C5=CC=CC=C51 1 3.49 5 3 0 -2.96782630460411 2521019 C1CCC(C1)NC(=O)COC(=O)CC2=CC=C(C=C2)Cl 1 2.846 1 3 -9.22487744719017 2521011 COC1=C(C=C(C=C1)NC(=O)CCCC2=CNC3=CC=CC=C32)OC 1 3.822 2 3 -14.2370199831567 2520995 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C 1 2.63 2 5 0 -9.638049812665 2520987 CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CC2=CC=C(C=C2)Cl 1 2.76 1 4 -9.13894167146646 2520949 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)COC2=C(C=C(C=C2)C)OC 1 2.175 4 5 0 -14.1752191577518 2520863 CCOC(=O)C1CCN(CC1)CC2=C(C3=CC=CC=C3C(=C2)Cl)O 1 3.91 1 3 1.31302790072414 2520818 CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC(C)(C)C 1 3.799 4 1 -13.2954488243482 2520806 CC(C)NC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)C(C)(C)C 1 3.594 4 1 -14.9055320167807 2520746 CC1=CC=CC=C1C2=NN(N=N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.505 6 3 0 -16.2512609052647 2520723 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)C2=CC=CS2 1 2.401 2 5 0 -14.3009770750813 2520675 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=O)OC)OC 1 3.267 2 6 0 -16.0271168074866 2520612 COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CN=C(C=C2)Cl 1 1.896 2 4 0 -11.7358727942688 2520589 CC1=C(C(=NO1)C)C(=O)OCC(=O)NC2CC2 1 0.117 2 4 0 -16.8812779171893 2520487 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C 1 2.604 2 5 0 -16.8661381444473 2520429 C1=CC(=CC=C1NC(=O)COC(=O)CNS(=O)(=O)C2=C(C(=C(C=C2)F)F)F)OC(F)F 1 2.506 2 6 0 -10.3533199744212 2520348 CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)COC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4)C)C 1 6.029 3 6 0 -9.53280485199615 2520342 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CS3 1 1.815 3 3 0 -13.0863922402783 2520332 CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C)C 1 3.579 2 4 -14.019310106026 2520329 CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 1.87 3 5 0 -20.4174841304496 2520263 CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CS4 1 3 4 0 6.45901334557403 2520258 CC1=CC(=CC(=C1)C(=O)OCC(=O)NC(=O)NC2CCCC2)C 1 2.899 2 4 -12.4463979471116 2520240 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3 1 2.379 3 3 -16.0997536732549 2520224 COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCOCC4 1 2.922 4 3 0 -15.5800238763459 2520104 C1CC2=C(C1)C=C(C=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 3.506 3 3 -20.0640528760289 2519987 CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4)C 1 4.297 4 4 0 -23.0205396086914 2519964 CCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CC=C3OC 1 2.29 4 2 -16.8885969772036 2519927 CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)N 1 2.285 3 3 -13.1955028992288 2519882 CC(C)NC(=O)NC(=O)COC(=O)CC1=CC=C(C=C1)OC 1 1.269 2 5 0 -15.0031433387046 2519776 CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)N(C)C2CCCCC2)[N+](=O)[O-] 1 2.249 3 6 0 -20.2740620032928 2519741 C=CCNC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1CC=C 1 3.23 3 3 -24.5752296954659 2519695 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5 1 2.708 4 5 0 -17.0282202013457 2519679 C1CC2=C(C1)C=C(C=C2)NC(=O)CN3CCOCC3 1 1.701 2 2 0 -10.6085983915313 2519674 C1CC2=C(C1)C=C(C=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4F 1 3.848 3 1 -4.12946459018949 2519582 CCOC(=O)N1CCN(CC1)C(=O)C2=C(C(=CC=C2)OC)O 1 1.194 2 5 0 -2.89567130648285 2519505 COC1=CC(=C(C=C1)NC2=C3C=CSC3=NC=N2)OC 1 3.168 3 2 -1.31098392008762 2519484 CC1=C(C=C(O1)CSC2=NC3=CC=CC=C3N2)C(=O)OC 1 3.195 2 3 -5.19176243143651 2519320 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C 1 3.562 4 2 -1.09527471518432 2519274 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4 1 3.973 3 3 -15.8290120663561 2519271 C1CC1N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-] 1 3.262 5 6 0 -6.12146372852495 2519196 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NC3=NN=C(S3)SCC=C 1 2.505 5 2 0 -18.8977486017029 2519136 CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.306 4 3 0 -13.3591166006754 2519123 CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3CC3 1 2.444 4 1 -11.3166278693486 2519122 C1CC1N2C(=O)NN=C2SCC3=NC4=CC=CC=C4S3 1 2.967 4 1 -11.0780620592112 2519090 CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CN(C)CC(=O)NC3=CC=C(C=C3)C 1 3.128 3 5 0 -7.7309954978791 2519086 CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C(C)(C)C 1 4.022 3 1 -7.92068114873354 2519073 CC1=CC=CC(=C1)C2=NN=C(N2C)SCC#N 1 2.625 4 0 -4.78504352779197 2518894 CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCCC3=CC=CC=C32)C 1 3.433 2 3 -22.2168165890771 2518728 CC1=NN(C2=C1C=C(S2)C(=O)NC3=NC=CS3)CC4=CC=C(C=C4)F 1 3.364 4 1 -10.7518466677328 2518713 CCCCC1=NN=C(S1)NC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 3.28 3 4 0 -16.4293782988057 2518682 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 1.722 4 3 0 -11.3220397225858 2518673 C1=CC(=CC=C1CCNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N 1 1.935 3 5 0 -15.7571329489164 2518638 CN(CC1=CC=C(C=C1)Br)C(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 2.602 3 5 0 -18.0589954097385 2518536 C1=CC=C2C(=C1)C(=O)N(NS2(=O)=O)CC(=O)NC3=CC=CC=C3OC(F)F 1 1.392 3 5 0 -7.53726137979928 2518528 C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(C=CC=C3F)F 1 2.514 1 4 -3.73050798082725 2518279 COC1=CC(=CC(=C1)C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)OC 1 3.908 1 5 -16.173488102413 2518238 C1CN(CCN1CC(=O)NC2=CC=CC=C2C(F)(F)F)C3=NC=CC=N3 1 1.65 5 1 0 -2.57040078704773 2518184 C1CN(CCC1C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 2.002 3 3 -17.2676545980144 2518178 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 1.961 3 3 0 -23.7921031549175 2518146 C1=CC=C(C=C1)CCCNC(=O)CNS(=O)(=O)C2=CC(=CC=C2)Br 1 2.91 2 3 -14.6956578638033 2518137 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)C 1 2.638 3 1 -10.248572690891 2518125 C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC4=C5C=CSC5=NC=N4 1 4.124 6 0 -0.690883935823377 2518122 CCN1C(=O)C(=O)N(C1=O)CC2=C(C=CC(=C2)C(=O)C)OCC 1 1.334 2 5 0 -9.13521829112553 2518111 CC(C)[C@@H](C(=O)OCC(=O)NC1=C(C2=C(S1)CCC2)C(=O)OC)NS(=O)(=O)C3=CC(=CC=C3)Cl 1 3.645 2 7 0 -30.79063000463 2518105 C1=CC=C(C=C1)C2=CSC(=N2)SCC3=NC(=O)C4=CC=CC=C4N3 1 3.831 3 1 -6.20999517778827 2517968 CCN1C(=NC2=C1C=CC(=C2)C3=NN=C(O3)C4=C(ON=C4C5=CC=CC=C5)C)C 1 3.931 5 2 0 2.00168589626152 2517964 CC1=CC(=C(N1C2=CC=CC=C2)C)C3=NN=C(O3)C4=CC5=CC=CC=C5OC4=O 1 4.251 3 3 -1.23147773702288 2517963 CNC(=O)CON=CC1=CC=C(C=C1)N(C)C 1 0.917 3 2 0 -6.67780690309563 2517958 CCCNC(=O)CC1=CSC=C1 1 1.607 1 1 0 -12.6631508383401 2517948 CNC(=O)COC1=C2C=CSC2=NC=N1 1 0.694 3 2 0 -9.23087704237247 2517945 CCC1CCC2(CC1)C(=O)N(C(=O)N2)CN3C(=O)C4=CC=CC=C4N=N3 1 3.314 5 3 0 -19.4507776750816 2517907 CCCN(CCC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CO3 1 4.066 3 3 -13.0109004278369 2517904 CCN(CC)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CO3 1 2.951 4 3 0 -12.9028502002572 2517869 C1CN(CCN1CC2=CC=CC=C2)C(=O)CON3C4=CC=CC=C4N=N3 1 6.3e-002 5 2 0 -1.68306196810947 2517861 CC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(O3)C(=O)OC 1 3.827 2 3 -5.42370406183216 2517857 C1CN(CCN1C(=O)C2=CC=CNC2=S)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl 1 2.141 3 3 -15.9876891745806 2517818 C1=CC=C(C=C1)/C=C/C(=O)NNC2=CC=C(C=C2)Cl 1 3.769 2 1 0.250891973416278 2517806 COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCCC2 1 1.283 1 4 0 -13.4871120411188 2517799 CCN(CC)C(=O)CSC1=NNC(=S)N1N 1 0.904 5 1 0 -21.4463920829759 2517778 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(N(C2=O)C)C(F)(F)F 1 1.358 3 4 0 -15.2752379306345 2517774 CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC=C(N(C2=O)C)C(F)(F)F 1 2.253 2 3 -6.87647293662223 2517772 CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(N(C2=O)C)C(F)(F)F 1 1.875 2 3 0 -6.44150400833159 2517760 C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)/C=C/C(=O)O 1 3.528 1 3 3.0620834596671 2517745 CN1C(=CC=C(C1=O)NC(=O)C2=CC(=CC=C2)OC)C(F)(F)F 1 1.527 2 3 0 -6.22311280688454 2517704 C1=CC=C2C(=C1)C(=NC=N2)NNC(=O)CCCC(=O)O 1 0.734 4 3 0 -8.00812351631045 2517680 CC1=CC(=C(C=C1)C(=S)N)C 1 2.672 1 0 0.878501632925076 2517678 CCC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3 1 4.323 3 0 4.657383570031 2517659 C1=CSC(=C1)CN2C(=CC=N2)N 1 1.181 3 0 0 -7.20981855861499 2517654 C1=COC(=C1)C2=NOC(=C2)N 1 1.004 2 2 0 3.4498334814284 2517644 C1OC2=C(O1)C(=CC(=C2)C(=O)O)Cl 1 1.892 0 4 0 -1.6550453924725 2517642 CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)N(C(C)C)C(C)C)Cl)Cl 1 4.329 2 2 -4.85560899863081 2517636 CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)NC(C)(C)C)Cl)Cl 1 3.602 2 2 -9.11570310903209 2517571 C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N3C=NN=C3)[N+](=O)[O-] 1 2.275 4 3 0 -4.59747074315812 2517552 CC(C)[C@@H](C(=O)O)NC(=O)/C=C/C1=CC=C(C=C1)OC 1 2.298 1 4 -13.8525808963931 2517542 CC(C)[C@@H](C(=O)OC)NC(=O)/C=C/C1=CC=C(C=C1)OC 1 2.523 1 4 -16.6428354805582 2517521 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C=NN3 1 2.165 3 4 0 -7.08861140914946 2517516 CC(C)COC1=CC=C(C=C1)C(=O)N2C(=O)C3=C(C2=O)C=C(C=C3)N 1 2.739 2 4 -5.52665393936348 2517507 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)O 1 1.752 2 3 0 -12.6146141572486 2517501 CC1=CC(=NN1C2=NC=NC3=CC=CC=C32)C 1 2.581 4 0 -2.04615810749269 2517490 CC1=NN=C(N1C)SCC2=NC(=NO2)CC(=O)NC3=CC=CC=C3OC 1 1.195 6 3 0 -19.3141289058966 2517479 CC(C)OC(=O)C1=CC=C(O1)COC2=CC3=C(C=C2)C=CC(=O)O3 1 3.521 0 6 -11.2364378391668 2517469 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=NC3=C(S2)C=C(C=C3)F 1 3.647 4 4 0 -25.3918987374959 2517460 CN(CC1=CC=C(C=C1)OC)C2C3=CC=CC=C3C4=CC=CC=C24 1 4.771 1 1 0.786141205622858 2517448 C1CCC(CC1)NC(=O)NC(=O)CN2CCC(CC2)CC3=CC=CC=C3 1 3.675 3 2 -4.29306220175746 2517431 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)/C=C/C(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)N 1 2.814 5 4 0 -0.846256540231479 2517425 CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=NN3C(C)C 1 3.031 6 1 0 -17.4572771216705 2517422 CC(C)C1=NOC(=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3F 1 3.24 5 2 0 -16.3582242137232 2517341 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC(=O)NCC3=CC=CO3 1 2.366 4 4 0 -10.6526125395519 2517314 CCOC1=C(C=CC=N1)C(=O)NCCCSC2=CC=CC=C2 1 3.011 2 2 -13.7054527852886 2517241 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)N 1 0.72 5 7 0 -19.8756276684905 2517229 C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)NC(=O)CCNC(=O)C4=CC=CC=C4Cl 1 4.439 3 2 -4.58922365888931 2517192 CC(C)(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C)N2CCOCC2 1 0.564 3 4 0 -15.4591648477498 2517175 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C(C)C 1 2.594 2 4 -13.2819558839325 2517163 C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CNC(=O)C=C3)C#N 1 1.44 5 2 0 -21.8207169373899 2517137 CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4 1 4.56 1 5 -5.88252316557022 2517126 CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.906 4 4 0 -25.8849922486878 2517108 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC3=COC4=C3C=CC(=C4)OC 1 2.029 3 4 0 -16.3880763053522 2517094 CC(C)(C)C1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3N=CC2=O 1 2.997 3 2 -7.60574508190538 2517058 CC(C)OC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 3.442 2 2 -3.74336500422301 2517041 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)N 1 1.395 3 5 0 -14.199010874733 2517030 CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NCCCOC)C3=CC=CC=C3 1 2.722 1 4 -7.67798639895121 2517027 C1COCCN1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 2.762 2 2 -7.94702959498627 2517017 CC1=C(C=C(C=C1)F)NCC(=O)NC2=C(C=C(C=C2)Cl)F 1 3.836 2 1 -2.80848827005875 2516963 CC1=C(C=C(C=C1)NCC(=O)NC2=CC=C(C=C2)Br)F 1 3.715 2 1 -3.67496535759781 2516950 CC1=CC(=C(C=C1)OC)NCC(=O)NC2=CC=C(C=C2)C(C)(C)C 1 4.145 2 2 -4.18355649109167 2516943 C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=CC=CC=C2 1 1.927 2 4 0 -12.4022646018415 2516907 CC1=CC=C(C=C1)NC(=O)CNC2=C(C=C(C=C2)Cl)F 1 3.631 2 1 -3.0446813804949 2516868 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3=CC=CS3)Cl 1 3.081 1 4 -13.43835365451 2516825 CC1=CC(=C(C=C1)NC(=O)CNC(=O)C2=CC=CO2)Cl 1 2.22 2 3 -8.52831300463172 2516821 CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)NC3=C(C=CC=C3Cl)Cl)C 1 3.693 3 2 -14.1424176982139 2516792 CN(C)CCCN(CC1=CC=CC=C1)C(=S)NCC2=CC=CC=C2 1 4.561 3 0 -10.9173359812538 2516753 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C 1 2.304 2 5 0 -24.4884282559388 2516750 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NCCC3=CNC4=CC=CC=C43 1 3.685 3 3 -18.8899360130332 2516747 CN(C1=CC=C(C=C1)O)C(=S)NC2=CC=C(C=C2)SC(F)F 1 5.842 2 1 -3.57778265097169 2516727 CC1=C(SC(=C1C(=O)OCCOC)NC(=O)CN2CCCC3=CC=CC=C32)C(=O)N 1 2.45 3 5 0 -25.3906261010926 2516639 CC(C)(C)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)C1=C(C=C(C=C1)Br)Cl 1 1.632 3 6 0 -15.7800519115055 2516616 C1COCCN1CCCNC2=NC(=NC3=CC=CC=C32)C4=CC=CS4 1 2.725 4 1 0.98272365465119 2516522 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)/C=C/C3=CC=C(C=C3)F 1 3.787 2 4 -3.70902936361291 2516459 CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC(=O)C2=CC=CN2C 1 2.657 3 5 0 -20.7447946811583 2516451 C1CCC(C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.279 1 3 -6.31237637965441 2516429 CC(=O)C1=CC(=CC=C1)NC(=O)CN(C)CC2=CC=C(C=C2)OC(F)F 1 3.085 2 3 -4.14697111078682 2516407 C1CCC2=NN=C(N2CC1)SCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.398 5 2 0 -17.8015185854224 2516377 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCC(=O)OCC(=O)C3=CC=C(S3)Br 1 3.133 1 5 -10.9995186792974 2516208 CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.97 4 4 0 -21.9481889257119 2516206 CN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CC(=CC=C4)OC 1 4.252 4 1 -1.10618649751755 2516150 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.24 2 4 -6.57323468641635 2516136 COC1=CC=CC=C1N2C=NN=C2SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.585 5 4 0 -17.190090869572 2516099 C1COC2=C(O1)C=CC(=C2)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F 1 3.184 2 3 -12.0442068626932 2516092 CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.825 3 6 0 -19.710520124938 2516084 CCOC1=CC=C(C=C1)CN(C)CC(=O)NCC2=CC=CC=C2Cl 1 3.543 2 2 -9.9283854625208 2515908 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3 1 1.795 4 5 0 -2.10770367251472 2515869 CCC(=O)C1=CC=C(C=C1)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 2.266 1 5 -9.04551562628735 2515806 CC1=C(C=CC(=C1)NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)C)N=N2)Br 1 0.654 4 4 0 -7.92471292188882 2515781 COC1=CC(=CC(=C1OC)OC)CC(=O)NCC2=CC=CS2 1 2.347 1 4 -15.4867686557129 2515723 CCSC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 3.052 4 3 0 -19.8548174963775 2515671 COC1=C(C=C(C=C1)CC(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)OC 1 2.812 4 5 0 -16.1885245607508 2515458 C1=CC(=CN=C1)C2=NN=C(N2N)SCCOC3=CC=C(C=C3)Cl 1 2.856 5 1 -3.91953411768926 2515454 CC(=O)N1CCN(CC1)CC(=O)NC2=C(C=CS2)C#N 1 -0.162 4 2 0 -12.6375480498809 2515449 C1CN(CCN1CC(=O)NC2=C(C=CS2)C#N)C3=CC=CC=C3 1 2.251 4 1 -6.54152686287615 2515232 CN1C=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 0.817 5 2 0 -26.1114304899894 2515202 CN1C=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2 1 2.028 4 1 -15.9518119720046 2515107 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C)C 1 3.069 3 2 -12.425520784924 2515092 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NNS(=O)(=O)C3=CC(=C(C=C3)F)Cl 1 1.249 3 6 0 -22.3577399096246 2515073 CC1=CC(=CC=C1)NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)C)N=N2 1 -9.5e-002 4 4 0 -6.18518531320441 2515057 CN1C=NN=C1SCC(=O)NC(=O)NC2CCCC2 1 0.725 5 2 0 -21.0195188175281 2515043 CN1C=NN=C1SCC2=NN=C(O2)C3=CC=CC=C3Br 1 2.307 5 1 -14.9540349004744 2515041 CN1C=NN=C1SCC(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 1.041 5 2 0 -19.0213955085989 2515027 CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S(=O)(=O)N2 1 2.441 3 4 0 -6.53583723744954 2514986 CN1C=NN=C1SCC(=O)C2=CNC3=CC=CC=C32 1 2.032 4 1 -11.3474124441181 2514976 CN1C=NN=C1SCC(=O)NC2=C(C=CS2)C#N 1 0.785 5 1 0 -23.2144669413256 2514971 CN1C=NN=C1SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N 1 0.835 5 2 0 -25.3429177818451 2514970 CN1C=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N 1 2.624 5 1 -32.8527843358827 2514968 COC1=CC=CC=C1C(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4 1 2.794 4 4 0 -11.9863831315733 2514844 CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=NOC(=C2)C 1 2.32 3 4 0 -22.3287511228018 2514833 CCOC1=CC=C(C=C1)CC(=O)NC2=NC=CS2 1 1.979 2 2 0 -7.67451288595524 2514823 CN(CC1=CC=CS1)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.929 2 3 -4.06856507677404 2514781 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CNC(=O)C=C3 1 0.544 4 4 0 -16.5403791696849 2514734 CC1=CC=C(C=C1)CSC2=NN=C(N2C3CCCC3)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5 1 4.684 4 3 0 -23.4262712969436 2514710 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 2.074 3 6 0 -20.3912567758835 2514702 CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)C)C)[N+](=O)[O-] 1 0.555 5 5 0 -14.1354916597129 2514699 C1=CC=C2C(=C1)C(=C(S2)C3=NN=C(O3)SCC#N)Cl 1 3.76 3 1 -6.33880490185214 2514618 CC1=CC(=C(C(=C1)Br)NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)C)N=N2)Br 1 1.402 4 4 0 -6.94390186359062 2514575 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC 1 3.563 2 5 0 -18.4625372912775 2514531 C1CCC(=CC1)CCNC(=O)COC(=O)CC2=C(C=C(C=C2)Cl)Cl 1 4.436 1 3 -11.606300141164 2514525 CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)N3CCCC3=O 1 2.757 3 3 -29.1209557823614 2514505 C1COCCN1CCCNC2=NN=C(S2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl 1 1.792 6 2 0 -12.3727392261797 2514495 COC1=C(C=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)F 1 2.918 2 4 -12.4903400896041 2514403 CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC(=O)NCC(F)(F)F)[N+](=O)[O-] 1 1.876 5 5 0 -26.7035113116842 2514391 CC1=CC=C(O1)/C=C/C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.327 3 4 0 -17.7719547094878 2514363 CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)N 1 1.8 5 2 0 -10.8167059101079 2514355 CCN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CS4 1 3.349 4 0 4.85235744212316 2514351 C1=CC(=CC=C1CCNC(=O)COC(=O)C2=NC=CN=C2)Cl 1 1.441 3 3 0 -12.7133775096914 2514319 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=NC=CN=C2)C 1 1.289 3 5 0 -14.611154405074 2514297 COC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3 1 1.186 6 2 0 -17.8097367024524 2514277 CC1=CC(=NC2=NC(=NN12)C(=O)NNC(=O)C3=CC=CC=C3)C 1 0.949 6 2 0 -11.9247009678337 2514149 CC(=O)C1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3N=CC2=O 1 1.337 3 3 0 -12.15840865476 2514092 CC(C)(C)C(=O)NCCN1C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/SC1=O 1 2.781 3 5 0 -14.9050813684719 2514076 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)/C=C/C2=C(C=CC(=C2)OC)OC 1 2.298 2 5 0 -7.32526685604072 2514074 CC1=CC=CC=C1OCCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC 1 3.439 1 4 -14.019621000036 2514026 CC1=CC(=NC2=NC(=NN12)SCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC)C 1 2.778 5 3 0 -23.976433474129 2513969 CS(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NC3=C(C=C(C=C3)Br)Br 1 0.916 4 4 0 -7.83014979937817 2513967 COC1=CC(=CC(=C1)NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)C)N=N2)OC 1 -0.614 4 6 0 -11.2883073234866 2513773 COC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl)OC 1 2.554 2 4 -18.1745193473634 2513736 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)CSC3=NN=CN3C)C)C 1 2.724 4 1 -5.50485857307832 2513712 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NN=CN2C 1 0.871 5 2 0 -23.8479948632062 2513670 CN(C)C1=CC=CC(=C1)C(=O)NNC(=O)CSC2=CC=CC=C2 1 2.427 3 2 -12.2620671175858 2513630 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 3.085 5 3 0 -15.9908796086818 2513609 CN1C=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3CCCC3 1 1.729 5 2 0 -25.5978243098222 2513588 COC(=O)C1=CC=C(O1)CSC2=NN=C(S2)SCC3=CC=C(O3)C(=O)OC 1 3.753 2 6 0 -11.1906086509879 2513541 C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)OC1 1 1.795 1 6 0 -7.48398645848243 2513508 C1=CC(=CC(=C1)Br)C2=C(C=NN2)/C=C(/C#N)\C(=O)O 1 2.768 3 2 -4.5190666405039 2513489 CC(=O)N(C1=CC=CC(=C1)C(F)(F)F)C2=NC(=CS2)/C=C/C(=O)O 1 3.198 2 3 2.90161048167625 2513473 CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1CC(=O)O 1 1.775 2 3 0 -11.4672443441814 2513391 C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O)OC1 1 1.795 1 6 0 -7.58443271733335 2513355 C1CCC2=NN=C(N2CC1)COC3=CC=CC=C3Cl 1 3.253 3 1 -7.97110586979994 2513220 C1=CC(=CC=C1C2=C(C=NN2)/C=C(/C#N)\C(=O)O)Br 1 2.768 3 2 -6.15746880651234 2513146 C1CN(CCN1C2=NC=CC=N2)C(=O)CCNC(=O)C3=CC=CC=C3Cl 1 0.968 5 2 0 -10.2148062575927 2513077 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC4=CC=CC=C4 1 4.756 2 5 0 -19.8455963231353 2513068 C1=CC(=CC=C1N2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC(=O)NC4=C(C(=C(C=C4)F)F)F)F 1 4.901 3 4 0 -21.1921254539413 2512881 COC1=CC=C(C=C1)/C=C\2/C(=O)N3CCCC3=N2 1 1.446 2 2 0 -9.01640471275846 2512757 C1=CC=C2C(=C1)N=CC(=O)N2CC(=O)O 1 0.442 2 3 0 -7.50520748708479 2512711 C1=CC2=C(C=C1C(=O)O)NC(=S)N(C2=O)C3=CC(=C(C=C3)F)Cl 1 4.218 2 3 -5.02976618767062 2512674 CC1=CC(=C(C(=C1)C)N(C2=NC(=CS2)CCl)C(=O)C)C 1 4.003 2 1 -1.30121196073535 2512653 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)O 1 0.426 2 5 0 -10.4079965893532 2512575 CCOC(=O)C1=C(C2=CC=CC=C2N=C1CCl)C3=CC=CC=C3 1 4.554 1 2 0.962078032730741 2512552 C1C(=O)N(C(=O)N1)CC(=O)O 1 -1.473 2 4 0 -11.1588603601929 2512538 C1CCC(C1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Cl 1 3.279 1 3 -5.13758070032052 2512529 COC1=CC2=NC(=C(C=C2C=C1)CCl)Cl 1 3.473 1 1 4.86724173995984 2512509 CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)O 1 0.788 1 5 0 -18.7717884617617 2512506 C1CC1NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Cl 1 2.367 1 3 -5.65118688048768 2512499 C1CCN(CC1)CC2=NNC(=S)N2C3=CC=CC=C3C(F)(F)F 1 3.879 4 0 -3.09266955221879 2512472 CCNC1=C(C(=C(S1)C(=O)OCC)N)C#N 1 1.401 3 2 0 -13.1994733147933 2512471 C1CCN(C1)C(=O)/C(=C\2/C3=CC=CC=C3C(=N2)N)/C#N 1 0.725 4 1 0 -6.34320292400153 2512462 COC1=CC=C(C=C1)C2=CN(N=C2CO)C3=CC=CC=C3 1 3.169 2 2 9.92616006506376 2512422 CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)O 1 1.846 2 2 0 -10.1791558366863 2512392 CC1=CC=CC=C1N2C(=S)SC(=N2)SCC(=O)O 1 4.903 2 2 -8.48616283974787 2512344 COC(=O)C1=CC=C(O1)CSC2=NNC(=S)S2 1 3.55 2 3 -10.8920957494342 2512267 CC(C)C1=CC=CC=C1NC(=O)COC(=O)/C(=C/C2=CC=CC=C2OC)/C3=CC=CC=C3 1 5.446 1 4 -8.30388739635988 2512193 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Cl 1 3.24 2 4 -5.49583323360725 2512136 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCC3 1 2.842 2 5 0 -12.2411427631972 2512107 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC)C(=O)NCC3=CC=CC=N3 1 2.849 3 4 0 -21.5945907127748 2512099 CC(C)[C@@H](C(=O)OC)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O 1 2.749 1 6 0 -18.713723792634 2512072 CCCNC(=O)COC1=C2C(=C(SC2=NC=N1)C)C 1 2.198 3 2 -11.5888036178474 2512056 CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)F)C 1 4.816 4 1 -6.13624149832077 2512020 C1CCC(C1)NC(=O)COC(=O)/C=C/C2=CC=CC=C2Cl 1 3.279 1 3 -6.38751377996966 2511838 COC(=O)C1=C(SC(=C1CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Br)C(=O)OC)N 1 4.399 4 4 0 -11.1479621080054 2511811 CC1=CC=NC2=NC(=NN12)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4OC 1 2.177 6 3 0 -16.2792746207706 2511803 COC1=NC=C(C=C1)NC(=O)CC2=C(C=C(C=C2)Cl)Cl 1 3.35 2 2 -5.00275852717296 2511800 CCOC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC 1 3.103 3 4 0 -10.9594092604293 2511796 C1CCC(C1)NC(=O)NC(=O)COC(=O)/C=C/C2=CC=CC=C2Cl 1 3.059 2 4 -7.14666742719324 2511795 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 3.427 4 4 0 -25.7816554253453 2511699 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)/C=C/C2=CC=CC=C2Cl 1 3.24 2 4 -6.81678508374401 2511656 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 1.482 4 4 0 -16.3125938683017 2511626 CC(C)N(CC1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N=CC2=O 1 2.536 3 2 -9.61731449213569 2511610 CCN(CC)CC(=O)C1=C(N(C(=O)N(C1=O)C)CC2=CC=CC=C2)N 1 1.158 4 3 0 -8.93811010328227 2511497 C1CN(CCN1C(=O)CCC(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CO3 1 1.681 2 4 0 -7.5864285407056 2511495 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC(=CC=C2)Cl 1 2.776 2 3 -7.92134228257124 2511484 CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.283 4 3 0 -5.08949217045958 2511447 C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=CC=CC=C2F 1 2.132 2 4 -12.1252722176883 2511408 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)F 1 1.316 2 4 0 -12.3544138039239 2511404 COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.574 5 4 0 -13.3194879829093 2511397 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4CCCC4=O)C 1 3.427 3 2 -7.87709607973908 2511387 C1CSC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5 1 5.754 3 1 -10.0020439587816 2511362 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N3CC(=O)NC4=CC=CC=C43 1 2.415 2 5 0 -8.81330638644688 2511304 CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(N=CC=C2)SC 1 3.271 1 4 -14.1044807383132 2511290 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=CC=CC=C3F 1 2.313 1 5 -13.1110895904502 2511283 C1CCC(CC1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.637 2 5 0 -26.4616172114645 2511266 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)OC 1 2.852 1 5 -13.3834721389668 2511259 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)CC3=CC(=CC=C3)C(F)(F)F 1 3.084 1 5 -9.3799212114013 2511223 CC(C)[C@@H](C(=O)OCC(=O)/C=C/1\C(C2=CC=CC=C2N1C)(C)C)NC(=O)C3=CC=CC=C3 1 4.313 2 4 -10.4134315240742 2511205 CC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.842 2 5 0 -26.4127043272719 2511192 C1CC1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.744 1 3 -8.57025524317933 2511118 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2CC2 1 2.387 1 3 -12.6223018849031 2511066 COC1=NC=C(C=C1)NC(=O)/C=C/C2=CC=C(O2)Br 1 2.417 2 3 -8.17389658241438 2511040 CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.849 2 5 0 -27.6949404076653 2511039 COC1=CC=CC=C1CCC(=O)NNC(=O)C2=CC=CC=C2 1 2.346 2 3 -15.3352603139369 2511015 CC1=CC(=C(C=C1)C)S(=O)(=O)NN=CC2=CC=C(C=C2)N3CCOCC3 1 3.208 3 3 -1.44583255262327 2511000 CC1=CC(=C(C=C1)C)S(=O)(=O)NN=CC2=CN=CC=C2 1 2.208 3 2 -0.343038883246576 2510970 CC1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 3.789 1 4 -18.2725585031437 2510926 CC1=CC(=NC2=NC(=NN12)SCCOC3=CC=C(C=C3)F)C 1 3.706 4 1 -6.52083594320411 2510921 C1CCC(CC1)C(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Cl 1 2.875 1 4 -8.04798579325182 2510911 COC1=CC(=CC(=C1)C(=O)NCC(=O)OCC2=NC3=CC=CC=C3S2)OC 1 2.573 2 5 0 -11.4214828924868 2510895 COC1=CC(=C(C=C1)NC(=O)COC(=O)C2CC2)OC 1 1.382 1 5 0 -14.9004101591685 2510848 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3 1 0.649 3 6 0 -20.4331008678527 2510839 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NCCS3 1 3.282 3 3 -20.6450222508177 2510713 CC1=CC=CC=C1NCCC(=O)NC2=CC=C(C=C2)F 1 3.215 2 1 -6.52036275526786 2510630 COC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.155 2 5 0 -9.62086410008789 2510481 C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)N=CN4 1 2.417 3 1 -10.0875952434904 2510437 CC(C)(C(=O)OCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)OC2=CC=C(C=C2)Cl 1 2.65 2 6 0 -11.6562608249302 2510287 CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)NC3=NOC(=C3)C 1 2.669 5 2 0 -19.8718993098007 2510258 CCCNC(=O)COC(=O)C1=CC=CC=C1C(=O)N(C)C2CCCCC2 1 2.89 2 4 -20.2846475811839 2510103 COC1=CC=CC(=C1)C(=O)NCC(=O)OCC2=CC=C(O2)C(=O)OC 1 1.64 1 7 0 -14.345024662709 2510036 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCCCN3CCCC3=O 1 1.691 4 2 0 -22.929960393402 2509990 COC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2CCCC2 1 2.598 1 4 -8.47629833075032 2509968 COC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N2CCC3=CC=CC=C32 1 3.053 1 4 -10.5914254300065 2509962 COC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.541 1 6 0 -8.77596819716737 2509756 COC1=CC=CC(=C1)CSC2=NN=C(N2CC=C)C3=CC=NC=C3 1 3.441 4 1 -9.94286196668799 2509659 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 6.4e-002 4 7 0 -21.0021133826828 2509623 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N)C 1 1.771 4 7 0 -27.5846641786193 2509600 C1=CC=NC(=C1)CCNC2=C3C=CSC3=NC=N2 1 2.356 4 0 -3.30349077811513 2509480 COC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=O)N2C3CC3)OC 1 1.71 4 4 0 -23.1994620956532 2509472 CC(C)CN1C(=O)C(=O)N(C1=O)CC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 1 3.382 3 5 0 -8.77019055031084 2509358 CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)C5=CN=CC=C5 1 6.352 7 1 0 -20.8967205686141 2509328 C1CCC(CC1)NC(=O)COC(=O)/C=C/C2=CC=CC=C2 1 3.071 1 3 -8.66078740149366 2509301 C1CC1N2C(=O)NN=C2SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-] 1 1.843 5 4 0 -19.9686325902662 2509299 CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)N(CCC#N)C3=CC=CC=C3)C 1 2.549 4 2 -18.8296125663876 2509276 CC1=CC(=C(N1CC=C)C)C(=O)CN2C(=O)C3=CC=CC=C3S(=O)(=O)N2 1 1.413 3 4 0 -10.1136123769962 2509216 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3Cl 1 2.564 2 5 0 -23.4928787656854 2509204 C1CC1NC(=O)COC(=O)/C=C/C2=CC=CC=C2 1 1.702 1 3 0 -8.81992506749273 2509199 CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(NN=C2C)C 1 1.394 3 4 0 -7.05534037515839 2509130 CC1=CC(=C(C=C1)C)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 3.819 1 4 -17.3990760576728 2509013 C1CCC2=C(C1)C=C(S2)C(=O)NNC(=S)NC3=CC=C(C=C3)OC(F)F 1 5.416 3 2 -8.29928643707486 2508983 C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CS2 1 2.536 1 3 -12.5393883400932 2508929 COC1=CC(=C(C=C1)OC)NC2=C3C=CSC3=NC=N2 1 3.168 3 2 3.97809882300992e-003 2508915 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC 1 2.5 5 4 0 -14.9635267401857 2508897 CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN(C)CC3=C(C(=CC=C3)OC)OC 1 2.36 4 5 0 -4.90885357706921 2508890 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3 1 0.335 7 2 0 -22.7052220626255 2508870 CC1=CC=C(O1)/C=C/C(=O)OCC(=O)NC2=CC=CC=C2C(=O)C 1 2.07 1 5 -11.069351696676 2508864 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)/C=C/C2=CC=CC=C2 1 2.576 2 4 -8.86020865613577 2508689 C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 1.93 3 6 0 -15.2611527500059 2508685 CCCC(=O)OCC(=O)NC1=CC=CC=C1C#N 1 1.659 2 3 0 -15.2323254668251 2508683 C1CCC(CC1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.965 2 5 0 -10.5832413717665 2508673 C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCC4=CC=C(C=C4)F 1 4.248 4 1 -15.3618987971864 2508616 COC1=C(C=C2CN(CCC2=C1)CC(=O)NC3=CC=CC=C3C#N)OC 1 2.46 3 3 -14.2385614116611 2508583 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC)C 1 2.046 2 8 0 -10.9151910010781 2508573 CC1=C(C(=CC=C1)NC(=S)NCCC2=CC3=C(C=C2)OCCO3)C 1 5.175 2 2 -8.27017728530855 2508563 C1=CC(=CC=C1/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.889 2 5 0 -6.85999613328837 2508533 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl)N 1 0.629 4 5 0 -17.3678185021298 2508456 COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C3N2C=CC=C3)OC 1 2.292 4 3 0 -18.6674608756174 2508439 CC(C)(C)NC(=O)NC(=O)COC(=O)CC1=C(C=C(C=C1)Cl)Cl 1 2.82 2 4 -10.653695898512 2508391 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3 1 2.887 5 2 0 -14.4459261433451 2508370 C1CN(CCN1CC(=O)NC2=C(C=CS2)C#N)C3=CC=CC=C3O 1 2.009 4 2 -5.22670445216339 2508326 CC1=CC(=NC2=NC(=NN12)SCC3=CC(=C(C=C3)OC)F)C 1 3.641 4 1 -10.6916902944519 2508299 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32)N 1 1.026 4 5 0 -20.3007531296327 2508282 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C(=O)N(C2=O)C3CCCC3)Cl 1 2.519 3 4 0 -10.1854581995853 2508278 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 1.279 4 5 0 -23.3389001100374 2508142 CC1=CC(=C(C=C1)C)C(=O)CN2C(=O)C(=O)N(C2=O)C3CCCC3 1 2.96 2 4 -8.45904417031899 2507990 C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)C(=O)OCC(=O)NCC4=CC=CS4 1 2.144 3 5 0 -21.7418267032062 2507975 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3N=C2 1 2.872 3 5 0 -9.01330310605167 2507966 CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)NC(=O)NC(C)(C)C)C 1 2.226 4 4 0 -20.9837276771647 2507867 C1CCCN(CC1)C2=CC=C(C=C2)C=O 1 3.125 1 1 -1.67688405500347 2507780 C1=CC=C(C=C1)CNC(=O)NC(=O)CSC2=NN=CS2 1 1.269 4 2 0 -14.8079823492327 2507761 COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=CS3 1 2.963 3 3 -25.0928601714353 2507705 CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CSC3=NN=CS3 1 2.531 3 4 0 -14.5635368166792 2507694 CC(C)NC(=O)NC(=O)CSC1=NN=CS1 1 0.411 4 2 0 -18.2369018999073 2507677 CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CSC3=NN=CS3 1 3.136 3 3 -17.7516226972075 2507676 COCCCNS(=O)(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F 1 2.279 1 3 -8.45802956936601 2507674 CC(C)(C)NC(=O)NC(=O)CSC1=NN=CS1 1 0.616 4 2 0 -17.8532758927704 2507641 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=CS3 1 1.267 3 3 0 -16.7868191879997 2507638 C1CN(CCN1C(=O)COC2=NC=NC3=C(C=C(C=C32)Cl)Cl)S(=O)(=O)C4=CC=CC=C4 1 3.089 4 4 0 -16.2743647538118 2507600 C1CN(CCN1CC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)C4=C(C=CC=C4F)F 1 3.565 2 3 -0.911863848739682 2507587 CC1=CC(=C(C=C1C(C)C)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)O 1 3.712 2 3 -7.0582576912504 2507584 CC(C)C1=CC=CC=C1NC(=O)CSC2=NNC(=O)N2C3CC3 1 2.937 4 2 -18.7441973160746 2507546 COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 1.893 5 4 0 -26.4759222072569 2507544 CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NC(C)(C)C 1 2.749 4 6 0 -20.4872750264584 2507537 C1CN(CC=C1C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3C#N 1 2.921 3 1 -10.0841462530596 2507519 C1=CC(=CC=C1CNC(=O)CSC2=NN=CS2)F 1 1.694 3 1 0 -15.5481350690536 2507514 C1CC1N2C(=O)NN=C2SCC(=O)NC3=CC=C(C=C3)C#N 1 1.621 5 2 0 -20.495082496291 2507504 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=O)N2C3CC3 1 0.86 5 4 0 -23.4403774789434 2507501 CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=NOC(=C3)C 1 2.669 5 2 0 -17.1606108271014 2507500 CC1=NN=C(S1)SCC(=O)NC2=CC=CC=C2C(=O)NC3CC3 1 1.44 4 2 0 -24.6003480578618 2507482 CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=C(S3)C 1 2.442 3 1 -16.2123594385321 2507451 CC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.777 4 3 0 -30.8505895667358 2507423 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NN=C(S4)C 1 3.297 3 3 -15.7818675417778 2507389 CC1=NN=C(S1)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.308 4 4 0 -18.3404484181925 2507386 CC1=NN=C(S1)SCC(=O)NC(=O)NCCC(C)C 1 1.526 4 2 0 -23.9819434767901 2507361 CC1=NN=C(S1)SCC(=O)NC(=O)NCC2=CC=CO2 1 0.711 4 3 0 -20.2733788976838 2507350 CC1=NN=C(S1)SCC2=NN=C(O2)C3=CC=CC=C3Br 1 2.93 4 1 -12.6861531438272 2507342 CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC4=NN=C(S4)C 1 2.622 5 2 0 -22.876153981133 2507326 CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4)C(C)C 1 3.984 2 4 -15.9684235551537 2507305 CC1=NN=C(S1)SCC(=O)NCC2=CC(=C(C=C2)OC)OC 1 1.717 3 3 0 -25.1016175131238 2507290 CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CSC3=NN=C(S3)C 1 2.792 3 4 0 -18.9991378284634 2507288 CC1=NN=C(S1)SCC(=O)NC(=O)NC(C)C 1 0.672 4 2 0 -22.3636266785955 2507286 CC1=NN=C(S1)SCC(=O)NC(=O)NC(C)(C)C 1 0.877 4 2 0 -21.9800006714586 2507284 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(S2)C 1 2.119 3 2 -16.5982275397801 2507245 CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl)N 1 2.59 4 3 0 -7.18316008667835 2507224 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=NN2C3=CC=C(C=C3)O)N 1 0.987 7 4 0 -21.5791374622833 2507219 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC=C(C=C3)NC(=O)C 1 3.291 3 2 -3.971468612219 2507192 CN(CC(=O)NC1=CC=C(C=C1)C(=O)N)CC(=O)NC2=CC=CC=C2Br 1 1.343 4 3 0 -10.7916067820872 2507180 CN(CC1=CC=CS1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.243 2 4 -12.149588486939 2507102 CCC1=CC=CC=C1NCC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 4.824 2 1 -7.02115208560014 2507089 COC1=C(C=C(C=C1)C2=CSC(=N2)C3=CC=CS3)OC 1 4.078 1 2 -1.36216464549092 2507035 C1CCC(C1)NC(=O)COC(=O)COC2=CC=CC=C2 1 1.982 1 4 0 -11.9758115192809 2507008 COC1=CC=C(C=C1)NC(=S)N(CCO)CC2=CC=CC=C2 1 4.075 2 2 -7.18876958720526 2506951 C1CN(CCC1C(=O)NC2=CC=CC=C2N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.259 3 4 0 -12.6589987105454 2506830 CC1=C(C(=C(C=C1)Cl)NC(=O)CN(C)CC2=C(C=CC(=C2)Br)OC)Cl 1 5.087 2 2 -2.40542482745828 2506798 C1CN(CCC1C(=O)NC2=CC(=C(C=C2)F)F)S(=O)(=O)C3=CC=CS3 1 2.401 2 3 -8.94255838150291 2506795 CC1=CSC(=N1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.19 3 4 0 -23.9886845653163 2506771 CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)COC2=CC=CC=C2)Cl 1 3.36 2 4 -7.27681440200534 2506754 C1CCC(=CC1)CCNC(=O)COC(=O)COC2=CC=CC=C2 1 2.907 1 4 -16.1591336952145 2506677 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3CCCCCC3 1 4.769 2 2 -13.3554123298232 2506565 COC1=CC=CC(=C1)NC(=O)COC(=O)/C=C/C2=CC=CO2 1 2.168 1 5 -6.22468217920474 2506561 C1=COC(=C1)/C=C/C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 2.856 1 4 -8.26439447918219 2506504 CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.657 2 4 -9.2789408395788 2506192 CC1=CC(=CC=C1)OCCOC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 2.814 1 6 0 -19.9306990657343 2506176 CC1=CC(=C(S1)C)C(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.228 2 4 0 -10.9184544247166 2506100 CCOCC1=C(OC2=CC=CC=C21)C(=O)NC3CCCCCC3 1 4.1 1 3 -3.68564891412849 2506041 C1=CC(=C(C=C1F)C(=O)CSC2=NNC(=N2)N)F 1 2.114 4 1 -2.07644544678023 2505911 CSC1=C(C=CC=N1)C(=O)NC2CCCCCC2 1 3.282 2 1 -12.1337809750827 2505717 CCN(CC1=NC(=O)C2=CC(=CC(=C2N1)Br)Br)CC(=O)NC(C)C 1 2.467 4 2 -9.63611688554591 2505538 COCCN1C(=NN=C1SCC2=CC(=O)N3C=CSC3=N2)C4=CC=NC=C4 1 0.991 6 2 0 -22.9171132506158 2505449 CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54 1 4.494 3 3 -18.5483504815048 2505374 CN1C(=O)C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2OC(F)F 1 0.771 3 5 0 -11.4688209516323 2505305 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 2.738 3 4 0 -16.9246794117456 2505294 CC1=CC=NC2=NC(=NN12)C(=O)NC3=NN=C(S3)CC(C)C 1 1.519 7 1 0 -14.6620587655301 2505229 CN(CC1=CC=CC=C1)C(=O)CN2C(=O)C3(CCCCCCC3)NC2=O 1 2.735 3 3 -10.9358564255918 2505216 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C2=CC=NC=C2 1 1.793 2 5 0 -17.2928678027503 2505177 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.031 2 4 -3.11021190945373 2505174 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NCCOC 1 0.371 2 5 0 -20.1977677955949 2505074 COC1=CC(=C(C=C1)C(=O)OCC(=O)NCC2CCCCC2)OC 1 2.901 1 5 -11.8580557617241 2505020 CC1=NC(=C(C=C1Cl)Cl)NC(=O)CSC2=NN=CS2 1 2.481 4 1 -9.9641772823919 2504960 CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NCCN3C(=O)CSC3=O 1 3.199 3 3 -18.8249273557027 2504804 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 2.64 5 2 0 -23.2187065113308 2504736 CC1=CSC(=N1)SCC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 3.391 3 1 -6.25911651581719 2504682 C1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=C(C=CS3)C(=O)N 1 1.725 5 2 0 -17.1243818115715 2504668 C1=CC2=C(C=C1C(F)(F)F)NC(=NC2=O)CSC3=NC=NC4=C3C=CS4 1 3.65 4 1 -5.31007407371864 2504643 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4 1 2.616 6 2 0 -24.5225081663584 2504528 CC1=CN2C(=NC(=CC2=O)CSC3=NN=C(N3CC=C)C4=CC(=CC=C4)C)C=C1 1 3.702 5 1 -16.6178257771856 2504499 C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=C(N=CC=C4)Cl 1 3.444 5 1 -17.1359665478568 2504498 CCNC(=O)COC1=CC=CC2=CC=CC=C21 1 2.13 1 2 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2503161 CN(CC(=O)NC1=CC2=C(C=C1)OCO2)CC(=O)NC3=C(C=CC(=C3)Cl)OC 1 2.008 3 5 0 -8.72112777470748 2503148 CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2CCCCCCC2 1 3.706 1 5 -17.5502190253476 2503118 CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4CCCCC4 1 5.152 2 5 0 -13.1543443301741 2503097 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.003 4 4 0 -14.369949191122 2503070 CC1=CC=C(S1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.422 2 4 0 -12.9275862744068 2503016 CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN(C)CC(=O)NC3=CC=CC=C3Br 1 2.194 5 4 0 -11.2492240637894 2502887 CC1=CC(=C(C=C1C)O)CN2CCN(CC2)C3=CC=CC=C3 1 4.263 2 1 9.19380204293597 2502847 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC4=CC=CC=C4C=C3 1 3.353 4 3 0 -14.4824794372606 2502748 CN(CC1=CC(=C(C=C1)OC(F)F)OC)CC2=CC(=O)N3C=CSC3=N2 1 2.557 3 3 -9.53810631370114 2502355 CC(=O)NCCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3 1 1.816 3 4 0 -13.625809304901 2502345 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2CN(C)C3CCCCC3 1 3.663 3 3 -11.6759469167259 2502278 CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN=C(C=C2)Cl 1 2.244 2 4 -8.39364485168772 2502269 CC1=C(SC=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)F 1 2.966 1 3 -9.72105107582249 2502215 CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C3=C(C=C(C=C3)O)O 1 3.666 3 3 1.75008385458996 2502203 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 2.158 3 5 0 -20.29507746108 2502130 C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CSCC(=O)NC3=CC=C(C=C3)Cl 1 3.436 4 4 0 -24.2417239589316 2502104 C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.496 2 5 0 -15.056988273722 2501965 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCOC2=CC=CC=C2OC)N 1 0.309 3 7 0 -20.8944320150113 2501943 COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C(=O)C(=O)N(C2=O)C3CCCC3)C(=O)OC 1 1.079 3 8 0 -15.9080374031341 2501883 CC(C)NC1=NN=C(S1)SCC(=O)NCC2=CC3=C(C=C2)OCO3 1 1.861 4 3 0 -23.8493281840754 2501873 CCCCN1C(=O)C(=O)N(C1=O)CC(=O)N2CCC3=CC=CC=C32 1 1.575 3 4 0 -14.4168101044968 2501872 CC(C)NC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)F 1 2.291 4 1 -17.5671335960356 2501843 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)CCOC2=CC(=CC=C2)Br 1 2.654 2 6 0 -12.4908689404961 2501832 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC(=CS2)C3=CC=CC=N3 1 2.462 3 3 -7.93411618841353 2501787 CCCCCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)N=CN3 1 2.9 5 1 -14.084242549378 2501779 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC2=CC=CC=C2F 1 3.028 3 4 0 -33.9324330910903 2501770 CC(C)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC 1 2.888 3 2 -16.8017863402115 2501747 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CS3)C(=O)N 1 1.437 3 4 0 -21.8922213803742 2501701 CC(C)NC1=NN=C(S1)SCC2=CC=C(O2)C(=O)OC 1 2.362 3 3 -16.682842614142 2501671 COC1=CC=CC=C1OCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 3.92 1 5 -14.4157770804938 2501665 C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.482 3 7 0 -8.11574514787489 2501656 CC(C)NC1=NN=C(S1)SCC(=O)C2=C(N(C(=O)N(C2=O)C)CC3=CC=CC=C3)N 1 1.59 6 3 0 -20.5455753698672 2501640 C1=CC=C(C=C1)SCN2C(=O)C3=CC=CC=C3N=N2 1 4.004 3 1 -15.2096542652597 2501631 CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(S2)NC(C)C 1 2.913 4 1 -20.6128468848968 2501618 CC(C)NC1=NN=C(S1)SCC(=O)C2=CNC3=CC=CC=C32 1 2.999 4 1 -11.9448800910511 2501615 CC(C)NC1=NN=C(S1)SCC(=O)NC2=C(C=CS2)C#N 1 1.751 5 1 0 -23.4707218828413 2501588 CC1=CC(=C(C(=C1)C)NC(=O)/C=C/C2=CSC(=N2)N(C3=CC=CC=C3)C(=O)C)C 1 4.869 3 2 -5.36274588845656 2501580 CC(C)NC1=NN=C(S1)SCC2=CC(=O)N3C=CSC3=N2 1 1.314 5 1 0 -23.9086768785162 2501566 CC1=CC(=C(C(=C1)C)NC(=O)CCCN2C3=CC=CC=C3OC2=O)C 1 4.21 2 3 -8.06088410908595 2501563 CC(C)NC1=NN=C(S1)SCC(=O)/C=C\2/C(C3=CC=CC=C3N2C)(C)C 1 3.691 4 1 -6.10232622001124 2501559 CC1=CC(=C(C(=C1)C)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)C)C)C 1 3.636 3 2 -13.1372593759731 2501545 CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=NC=CN=C3C=C2)C 1 3.537 3 1 -3.81803352250072 2501531 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NN=C(S2)NC(C)C 1 1.838 5 2 0 -24.1042498047219 2501481 CC(C)NC1=NN=C(S1)SCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC 1 2.037 4 4 0 -23.3754707387743 2501478 CC(C)NC1=NN=C(S1)SCC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.872 4 3 0 -22.6808813403311 2501463 COC1=CC=CC=C1N2C=C(NC2=O)C3=CC=C(C=C3)Cl 1 2.769 2 2 -1.0466758063597 2501456 CC1=CC(=C(C(=C1)C)NC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl)C 1 6.174 2 3 -3.30612003832401 2501418 CCOC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC 1 3.634 3 5 0 -25.7968834317731 2501406 CC1=C(SC2=C1C(=O)N3C=C(C=C(C3=N2)C(=O)OC)C(=O)C4=C(C=CC(=C4)F)O)C 1 2.899 2 5 0 -7.64043994104557 2501378 C1=CC(=C(C=C1F)C(=O)C2=CC3=C(N=C2)N=C(S3)N)O 1 2.121 3 2 2.46602276877286 2501273 CSC1=CC=C(C=C1)C2=NC(=O)C3=CNC=CN32 1 0.121 3 1 0 -0.206479949317727 2501168 C1=CC(=CC=C1C2=NC(=O)C3=CNC=CN32)Br 1 0.327 3 1 0 -2.04625794430216 2501120 C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O 1 4.571 2 3 -0.185239717377783 2501115 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)C 1 3.764 2 1 -1.5889586528032 2501103 CC1=CC=C(C=C1)OCC2=NC(=NN2)C3=CC=CC=N3 1 2.734 4 1 2.6195363701398 2501099 CC1=CC(=CC=C1)OCC2=NC(=NN2)C3=CC=CC=N3 1 2.734 4 1 3.61398493275381 2501096 CC1=CC(=NN1C(=O)CCCCCCC(=O)N2C(=CC(=N2)C)C)C 1 3.258 4 2 -9.90142984782735 2501092 C1=CC=C(C=C1)C2=NNC(=N2)C3=CC=CC=N3 1 2.413 4 0 5.8030043876381 2501045 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3(CCCCC3)N(C)C 1 3.865 3 3 -10.8251526381178 2501024 C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)COC(=O)C3=C(C=CC=C3Cl)F 1 2.757 2 6 0 -11.1364119784553 2500977 CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3)OC 1 2.423 1 7 0 -19.9244336798643 2500961 CN1CCN(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 2.12 5 1 -4.16413450635276 2500935 C1=CC(=C(C(=C1)Cl)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)F 1 1.98 2 4 0 -12.6687091835719 2500890 CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)OCC)NC(=O)N 1 3.476 3 4 0 -15.5138892204598 2500883 CC1=CC=NC2=NC(=NN12)C(=O)NCC3=CC=CC=C3 1 1.416 5 1 0 -13.2925376382169 2500823 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=CC3=CC=CC=C3C=C2 1 3.883 1 3 -6.28570115625507 2500793 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COC1=CC=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O 1 4.022 3 4 0 -3.80806818834315 2495457 CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)CN4C(=O)C(=O)N(C4=O)CC5=CC=CC=C5 1 3.122 3 6 0 -11.7001008221598 2495453 C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=CC(=CC=C2)Br 1 2.675 2 4 -11.9533715901582 2495444 CC1=CC(=C(C=C1)C)S(=O)(=O)NN=CC2=CC=C(C=C2)F 1 3.564 2 2 0.354421624157005 2495433 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)OCC#N)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.176 3 4 0 -13.8435410874677 2495416 CC1=NNC(=NC1=O)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3 1 1.618 4 5 0 -13.715811050528 2495301 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=NC4=C(S3)C=C(C=C4)F 1 3.681 2 3 -2.0698466703226 2495293 C1=CC(=C(C(=C1)F)C(=O)NC(C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=C(C=CC=C3F)F)F 1 4.394 3 4 0 -7.47219942738647 2495262 CCOC1=C(C=CC=N1)C(=O)NCC2=CC(=CC=C2)OC 1 2.326 2 3 -12.2694621396368 2495186 CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2CCCCC2 1 2.523 1 4 -9.5790601210038 2495137 C1=CC=C2C(=C1)C(=NN(C2=O)CCOC3=CC=C(C=C3)Br)C(=O)O 1 3.196 2 4 -5.20856524052916 2495129 C1CN(CCN1C2=CC=C(C=C2)O)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5 1 5.01 4 1 7.96137231781055 2495065 CCCNC(=O)CN1C2=CC=CC=C2N=CC1=O 1 0.893 3 2 0 -12.5125837626452 2495062 CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)CN4C(=O)CN(C4=O)C 1 0.479 4 6 0 -26.7689086476624 2495049 CCCCNC(=O)COC(=O)C1=CC=C(C=C1)NC(=O)C 1 1.194 2 4 0 -18.4663227473627 2495005 CC(=O)OCC(=O)NC1=CC(=C(C=C1)OC)OC 1 0.624 1 5 0 -11.4415757177434 2495004 CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NC3=CC=CC=C3N2 1 2.197 3 3 -8.06153133898393 2495000 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)NCCCN3CCCC3=O 1 1.933 3 4 0 -25.7149376475937 2494995 CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC3=C(C=C(C=C3CO)F)CO)C)C 1 4.205 1 4 -3.29905056275931 2494994 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4 1 2.873 4 2 -3.50817273535337 2494982 CCCCNC(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3 1 4.119 1 3 -6.32894791972784 2495047 CCOC(=O)C1=C(NC(=C1C(=O)COC2=NC=NC3=CC=CC=C32)C)C 1 2.755 3 4 0 -2.02039714797681 2495037 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCC(=O)OCC(=O)C3=C(C=CC(=C3)F)F 1 1.993 2 5 0 -11.5141360240219 2495025 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3 1 2.135 3 3 -17.3809121051926 2495014 CCOC(=O)C1CCN(CC1)C(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 0.915 3 5 0 -12.7173460410418 2494906 C1=COC(=C1)CNC(=O)NC(=O)CNC2=C(C=C(C=C2)F)F 1 1.654 3 3 0 -8.87438557237659 2494915 CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=CC=N4)C 1 5.039 3 1 -8.39051670161041 2494935 C1=CC=NC(=C1)CCNC(=O)CCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl 1 2.595 3 3 -19.510531298509 2494887 CC1=C(C(=CC=C1)NCC(=O)NC2=CC=CC(=C2C)C)C 1 4.219 2 1 -5.43244830454664 2494882 COC1=CC=CC=C1NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.472 3 4 0 -22.3284506977023 2494879 CC1=CC(=C(C=C1)NC(=O)CNC2=CC=CC(=C2C)C)C 1 4.219 2 1 -7.11709380980048 2494866 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)C 1 3.147 4 4 0 -11.5912712467834 2494850 CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=C(C(=CC=C3)Cl)Cl 1 4.813 2 2 -2.43059060739066 2494838 CCNC(=O)COC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-] 1 1.456 2 5 0 -10.3522604063547 2494835 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CNC(=O)C3CCCCC3)C 1 3.367 3 2 -1.95960101275713 2494828 COC1=C(C=C(C=C1)NC2=C3C=C(SC3=NC=N2)C4=CC=CC=C4)OC 1 4.978 3 2 0.614419997344165 2494801 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCC3=CC=CC=N3 1 3.299 3 3 -15.6991706435746 2494791 COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)N3CCCC3 1 0.279 3 5 0 -19.0158358571234 2494788 C1=CC(=CC=C1CO)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F 1 2.522 1 5 -7.44266151132375 2494771 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N(C)C 1 2.083 2 6 0 -14.7033577401181 2494770 COC1=CC=CC=C1C=NOCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.09 2 5 0 -8.3509560399943 2494767 COC1=C(C=C(C=C1)C(=O)N2CCC(=CC2)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 2.118 2 5 0 -22.1602753124 2494760 CCOC1=C(C=C(C=C1)C=NOCC(=O)NCC2=CC3=C(C=C2)OCO3)OC 1 2.423 2 6 0 -13.4992777609637 2494721 CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC=CS4)C 1 4.717 3 1 -5.05359318651723 2494703 CCN(CC(=C)C)C(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC 1 2.962 2 5 0 -14.1929886312381 2494694 CC1=CC(=NO1)C(=O)N(C)CC2=CC=C(C=C2)Br 1 2.604 2 2 -10.4265495594648 2494689 CC1=CC=C(O1)CN(C)C(=O)C2=CC(=C(S2)Br)Br 1 3.424 1 2 -2.4362878787209 2494665 C1COCCN1C(=O)CN2C(=O)C3=CC=CC=C3N=N2 1 0.785 4 3 0 -24.5133401303086 2494661 C1=C(OC(=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 1.513 4 7 0 -9.40587792821591 2494655 CN(C1=CC=CC=C1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)OC 1 1.571 2 5 0 -14.2702084543442 2494648 COC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2CCCCCC2 1 3.511 1 4 -9.15945020160916 2494638 CC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 0.932 3 5 0 -22.3978453202316 2494635 CCCCN(C)C(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 5.937 2 1 -4.9915950709106 2494573 CC(C)NC(=O)NC(=O)COC(=O)C1=NC=C(C(=C1Cl)Cl)Cl 1 2.522 3 4 0 -14.6398687154019 2494561 C1=CC(=CC(=C1)Br)/C=C/C(=O)OCC(=O)N 1 1.755 1 3 0 -2.08151302224312 2494547 CCCCNC(=O)COC(=O)C1=C(C=C(C=C1)SC)OC 1 2.599 1 4 -12.1505480363987 2494532 CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC=CC=N2)C)C 1 1.958 3 3 0 -6.90231102133279 2494398 CC(C)NC(=O)NC(=O)COC(=O)/C=C/C1=CC=CC=C1[N+](=O)[O-] 1 1.613 3 6 0 -12.6116517852227 2494372 C1CN(CCN1CCO)C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4 1 3.041 4 1 6.46182714049267 2494322 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC2=C(C=C(C=C2)F)F)Cl)C3=CC=C(C=C3)F 1 4.374 3 3 -3.20039291580207 2494317 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl)N 1 1.515 4 7 0 -21.9434686321416 2494248 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)CNC(=O)C3=CC(=CC=C3)F 1 2.323 2 4 -16.5727819950984 2494174 COC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 2.182 1 6 0 -8.56746663080087 2494194 COC1=CC(=CC(=C1OC)OC)C=NNC(=S)NCCN2CCOCC2 1 2.008 4 4 0 -13.686624979742 2494142 CC(C)(C)NC(=O)CN1C2=C(C=CC(=C2)Cl)N(C(=O)C1=O)CC3=CC=CC=C3 1 2.701 3 3 -6.55143310127158 2493997 CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)OCC 1 2.993 1 5 -19.8995632787454 2493982 CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)OC)[N+](=O)[O-] 1 2.41 3 7 0 -18.6334151435913 2493732 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC(F)F)N 1 1.515 3 6 0 -11.6773466514014 2493718 C1=CC=C(C=C1)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.374 2 3 -7.40916847418844 2493659 C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)C(=O)OCC(=O)NCCC4=CC=C(C=C4)F 1 2.931 3 5 0 -17.590144323698 2493645 CCCCNC(=O)/C(=C/C1=CC=C(C=C1)C(=O)OC)/C#N 1 2.529 2 3 -18.0523710340759 2493568 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4=CC=CC=C4 1 3.89 4 2 -13.6153899075949 2493526 CCCCNC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.164 3 5 0 -18.0753514258328 2493508 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC(=O)NC3CCCC3 1 2.581 4 4 0 -12.453304729942 2493464 CC1=CC2=C(C=C1)N=C(N2)SCC3=NN=C(O3)C4=CC=CC=C4Br 1 4.739 4 1 -4.18025414124585 2493454 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)N4CCC5=CC=CC=C5C4 1 3.558 5 2 0 -22.4311856864095 2493406 C1CCC(CC1)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)Br 1 3.34 2 4 -11.3729146052207 2493372 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4=CC=C(C=C4)F 1 4.096 4 2 -11.9394523176079 2493360 C1CN(CCN1C(=O)COC2=C3C=CSC3=NC=N2)C(=O)C4=CC=CO4 1 1.177 4 4 0 -9.74913764138572 2493335 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C(N=C3)Cl)Cl 1 2.094 4 2 -14.5166759402772 2493330 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)N 1 1.488 5 2 0 -16.3783386439357 2493284 CC1=NC2=CC=CC=C2N=C(C1=NOCC(=O)N(C3=CC=CC=C3)C(C)C)C 1 3.167 4 2 -7.67469545619083 2493276 CC(C)OC1=CC=C(C=C1)C(=O)NCC2=CC=CS2 1 3.071 1 2 -11.3927075669498 2493253 C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)NNC(=O)C3=CC=CC=C3F 1 3.644 2 3 -8.4740564737024 2493207 CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=CC4=CC=CC=C4O3 1 5.434 1 2 4.02163267088717 2493205 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5 1 5.156 4 3 0 -12.4098525053034 2493197 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)NCC4=CC=CS4 1 3.018 5 2 0 -24.7464579524416 2493165 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=CC(=O)OC5=C4C=CC(=C5)C 1 4.734 4 3 0 -14.7282874457612 2493155 C1=CC=C(C(=C1)C(=O)NCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F)Cl 1 3.736 3 2 -7.70341779810473 2493148 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)C#N 1 5.524 4 1 -6.24782238381273 2493146 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4=C(N(C(=C4)C)CC=C)C 1 4.097 5 2 0 -19.6650446947428 2493113 C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=C(C=C2)F)NC3=CC(=C(C=C3)O)C(=O)O 1 3.619 2 5 0 -7.69389576471252 2493104 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)NC4=C(C(=C(S4)C)C)C(=O)OC 1 3.544 5 4 0 -27.5853690105036 2493089 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4=CC=C(C=C4)CC 1 4.833 4 2 -12.6724681756451 2493080 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4=C(N(C(=C4)C)CCOC)C 1 3.35 5 3 0 -22.3829743629279 2493042 C1CN(CCC1C2=NC3=CC=CC=C3S2)CCC(=O)N 1 1.903 3 1 0 0.49367542971249 2493037 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCOC4=CC=CC=C4 1 4.266 4 2 -11.2136712706024 2493028 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCOC4=CC=C(C=C4)OC 1 4.25 4 3 0 -11.1152670419649 2493020 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCOC4=CC=C(C=C4)C 1 4.753 4 2 -10.5570242616212 2493018 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCOC4=CC=C(C=C4)Cl 1 4.931 4 2 -8.73502557103442 2492971 CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=NC5=CC=CC=C5S4 1 4.495 5 1 -10.2879283562806 2492753 CNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2 1 0.987 2 5 0 -23.9299867323851 2492720 CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC 1 0.354 1 5 0 -11.809533740672 2492710 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)O 1 1.365 1 5 0 -16.833455959682 2492699 COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N 1 0.148 1 5 0 -9.71423250546756 2492687 CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC 1 0.56 1 5 0 -10.724184247129 2492684 C1=CC(=C(C=C1S(=O)(=O)N)C(=O)O)F 1 0.37 1 4 0 -7.94196722016627 2492584 CC1=CC=NC2=NC(=NN12)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC 1 1.929 5 3 0 -12.9039286859021 2492577 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC(C)(C)C 1 3.034 1 3 0.602936488024447 2492563 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CNC(=O)C=C3 1 2.248 2 5 0 -14.9827786825642 2492562 CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)NN4CCOCC4 1 2.429 2 3 2.77196997878515 2492559 COC(=O)C1=CC(=CC(=C1)OC(=O)C2=CNC(=O)C=C2)C(=O)OC 1 0.779 1 7 0 -12.9438719196404 2492555 CC1=C(C(=NO1)C)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C 1 1.648 3 4 0 -13.6686042064974 2492550 C1=CC=C(C(=C1)CNC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)Cl 1 3.579 2 2 -18.8217517564909 2492534 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl 1 2.138 5 4 0 -19.727506744232 2492526 CN(C1=CC=CC=C1)C(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.916 2 4 -10.3520196646436 2492524 C1=CC(=CC=C1NCC2=CC(=O)N3C=CSC3=N2)Br 1 2.252 3 1 -11.2653421454602 2492511 CC1=CC=NC2=NC(=NN12)C(=O)NC3=NN=C(O3)C4=CC=CC=C4 1 1.25 7 2 0 -8.0493809467173 2492504 COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCC3=CC=CC=C3C2 1 2.6 2 3 -15.5596001234678 2492495 CC1=CC(=C(C=C1)NC(=O)CCC2=NC3=CC=CC=C3S2)O 1 3.419 2 2 -3.11090856018537 2492494 C1CCC2=C(C1)N=C(S2)NC(=O)CC3=CC=C(S3)S(=O)(=O)N4CCOCC4 1 1.919 3 4 0 -19.9969182995965 2492449 CN1CCCNC2=NC3=CC=CC=C3N=C21 1 1.131 4 0 0 -5.40028470383162 2492446 CC(C)OC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N 1 1.827 2 3 0 -15.5580619621102 2492440 CC1=CC=CC=C1S(=O)(=O)NC2=NC3=CC=CC=C3N=C2Cl 1 3.68 3 2 -3.45390130286843 2492392 COC1=C(C=CC(=C1)C#N)OCC(=O)NCC2=CC=CS2 1 2.059 2 3 -17.4570748570889 2492387 COC1=CC=CC(=C1)C2=NNC(=S)N2CC3=CC=CO3 1 2.85 3 2 -1.5098204394451 2492324 COC1=C(C=CC(=C1)C#N)OCC(=O)NCCC2=CCCCC2 1 3.063 2 3 -17.5047218067798 2492224 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NCC3=CC(=CC=C3)Cl 1 3.002 3 2 -7.71355816355498 2492203 CC1=CC(=NC2=NC(=NN12)SCC3=CC(=O)OC4=CC(=C(C=C34)C)C)C 1 4.454 4 2 -12.1866281430329 2492199 C1CN(CCN1C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4 1 3.017 3 4 0 -7.34681751492574 2492156 CN(CCC#N)C(=O)COC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)F)Cl 1 2.294 3 5 0 -15.9539517308112 2492086 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br 1 0.422 4 5 0 -14.0594113955928 2492038 CCN1C(=O)C2=C(N=C1SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N)SC(=C2C)C 1 1.56 5 4 0 -24.9094304027573 2492016 CC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.327 2 3 -16.5590831291271 2491998 CC1=C(C=CC(=C1)OCCCC(=O)NCC2=CC=CS2)Cl 1 3.916 1 2 -13.6722299302066 2491992 CCN1C(=O)C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C4C3)SC(=C2C)C 1 3.927 3 2 -25.7729034466075 2491926 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NCCOC)Cl)CC2=C(C=C(C=C2)Cl)Cl 1 3.385 3 4 0 -12.8676430818748 2491904 C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NCC3=CC=CS3 1 2.443 4 1 -18.3377042439591 2491877 CCN1C(=O)C2=C(N=C1SCC(=O)NC(=O)NCC3=CC=CO3)SC(=C2C)C 1 2.608 4 4 0 -25.1975846654268 2491862 C1=CNC(=C1)C(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.783 1 2 0.442567359859398 2491810 CCN1C(=O)C2=C(N=C1SCC(=O)NCCOC)SC(=C2C)C 1 1.932 3 3 0 -28.6024880501656 2491783 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4 1 5.451 4 3 0 -20.2654890995309 2491781 CC(C)[C@@H](C(=O)OCC(=O)NC(=O)C1=CC=CN1C)NS(=O)(=O)C2=CC=CC=C2 1 1.874 3 6 0 -22.3738105699199 2491763 CCN1C(=O)C2=C(N=C1SCC(=O)NC3=NOC(=C3)C)SC(=C2C)C 1 2.778 4 3 0 -30.8831247216192 2491762 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5 1 4.599 4 2 -7.05801279483654 2491619 CC1=CC(=C(C(=C1)OC)O)CN2CCC(CC2)CC3=CC=CC=C3 1 4.788 1 2 8.00774399768539 2491580 CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.118 5 5 0 -5.39835793745752 2491478 CCN(CC(=O)NC1=CC=C(C=C1)OC)CC(=O)NC2=CC(=CC=C2)Br 1 2.673 3 3 -4.0262071154851 2491454 CCN(CC(=O)NC1=CC(=CC=C1)OC)CC(=O)NC2=CC=CC(=C2)C#N 1 1.804 4 3 0 -7.72383123946134 2491450 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)C)C 1 1.139 5 4 0 -20.1726904734383 2491306 C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3 1 1.14 3 4 0 -10.9843972308376 2491304 COCCNC(=S)NNC1=CC(=C(C=C1)Cl)C(=O)O 1 2.348 3 3 -12.1412557570509 2491225 CCCCNC(=O)COC(=O)C1=CC=CC=C1F 1 2.279 1 3 -15.1542271433582 2491242 CC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CNC5=CC=CC=C54 1 5.102 3 3 -18.0324271840557 2489999 C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C(=O)NC4=CC=CC=C4Br)CCC#N 1 4.533 4 2 -2.25367099488384 2489979 COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])CCC#N 1 3.068 5 4 0 -7.52886979709251 2489975 C1=CC=C(C(=C1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])CCC#N)Br 1 3.833 5 3 0 -8.50583482607756 2489964 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4 1 4.26 3 5 0 -29.1990388052382 2489963 COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=C(C=C3)OC)OC)CCC#N 1 3.141 4 4 0 -9.30660309361798 2489961 CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C 1 3.911 3 5 0 -29.6604094436224 2489940 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4 1 3.717 3 4 0 -24.6359080006549 2489883 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC=CNC2=O 1 0.207 2 5 0 -20.6125523159498 2489851 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4S3)CC5=CC=CO5 1 4.862 3 2 -13.3779204011123 2489840 C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3 1 4.349 1 4 -3.40117879744805 2489739 CN(CC1=CC(=O)N2C=CSC2=N1)CC3=NC(=O)C4=CC=CC=C4N3 1 0.7 5 2 0 -13.0725338979252 2489712 COC1=CC=CC=C1/C=C/C=NNC2=CC=CC(=C2)C(=O)O 1 3.422 2 3 2.19327927616099 2489695 CC(C)(C)NC(=O)NC(=O)COC(=O)/C=C/C1=CC=C(C=C1)OC 1 1.907 2 5 0 -11.707016264032 2489691 CN(C1=CC=C(C=C1)OCC2=CC(=CC=C2)OC)S(=O)(=O)C3=CC=CC=C3 1 4.074 1 4 -6.46677976478846 2489673 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC=CO2 1 0.512 2 5 0 -19.0024912891058 2489666 COC(=O)CNC(=O)COC(=O)/C=C/C1=CC=CC=C1[N+](=O)[O-] 1 0.814 2 7 0 -14.6228367685692 2489658 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)N 1 2.089 3 4 0 -9.3726217303104 2489654 CN(C1CCCCC1)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 2.112 2 4 -20.4715462091772 2489618 CC1=CC=C(N1C)CNC(=O)C2=CC(=CC(=C2)Cl)Cl 1 3.473 2 1 -6.86801939291556 2489585 C1CN(C2=CC=CC=C21)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4 1 2.8 1 4 -13.7377934655826 2489566 CC(C)(C)NC(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=CO2 1 1.856 2 5 0 -20.2575632617342 2489557 C1=COC(=C1)C(=O)NCCC(=O)NC2=C(C=C(C=C2)Cl)F 1 2.187 2 3 -9.6173852824776 2489537 C1=CC=C(C=C1)SCCCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 2.289 2 3 -17.5639648300281 2489518 CCOC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl 1 3.922 3 2 -10.2063839542278 2489504 CC(=O)NC1=CC=C(C=C1)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 2.674 3 3 -5.93411763473928 2489490 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=S)NC(=O)C3CC3 1 1.827 3 2 0 -12.1992542590717 2489483 CCCCN1C(=C(C(=O)N(C1=O)C)C(=S)NC(=O)CC(C)(C)C)N 1 1.941 4 3 0 -13.7844541574988 2489480 CCCN1C(=C(C(=O)N(C1=O)C)C(=S)NC(=O)C2CC2)N 1 0.662 4 3 0 -12.5418988949978 2489478 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)OCC(=O)NC3=C(C(=C(C(=C3F)F)F)F)F 1 3.137 1 5 -10.5210690801454 2489473 CCCCN1C(=C(C(=O)N(C1=O)C)C(=S)NC(=O)C2=CC=CC=C2)N 1 2.025 4 3 0 -12.7563640326773 2489467 CCCCN1C(=C(C(=O)N(C1=O)C)C(=S)NC(=O)CC(C)C)N 1 1.735 4 3 0 -14.200119652115 2489429 CCN(CC1=CC(=O)N2C=C(C(=C(C2=N1)Cl)C)Cl)CC3=NC(=O)C4=CC=CC=C4N3 1 2.112 5 2 0 -5.72825429665559 2489391 CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC4=CC=CC=C43 1 3.811 3 3 -25.6165559535339 2489303 CCCOC1=CC(=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)OCO3)OCCC 1 4.163 2 5 0 -6.00356227616977 2489290 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCN2C=CC3=CC=CC=C32 1 2.365 3 3 -19.0413372558305 2489283 CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=C5C(=C(SC5=NC=N4)C)C 1 5.269 5 1 3.40631345155149 2489135 CC1=C(C2=NC(=CC(=O)N2C=C1Cl)CN(C)CC3=NC(=O)C4=CC=CC=C4N3)Cl 1 1.763 5 2 0 -5.50168854174034 2489126 CCC1=CC=CC=C1NC(=O)CN(C)C(=O)COC(=O)C2=C(C=CC=C2Cl)Cl 1 3.858 2 4 -15.8498805802009 2489123 CN(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=CC=C2)Cl 1 3.144 2 2 -2.66086682536741 2489116 CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4 1 4.152 3 2 -14.2025082511967 2489102 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2OC)C)C 1 3.422 1 6 0 -9.18746172873126 2489078 CC1=CC(=NC2=NC(=NN12)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4)C 1 2.484 6 2 0 -8.58941087197199 2489077 C1=CC=C(C=C1)CCC(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.431 1 3 -15.3822949996576 2489075 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=NN4C(=CC(=NC4=N3)C)C)C 1 2.923 6 1 0 -3.35720432182224 2489066 CC(=O)NN=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2 1 0.681 3 5 0 -7.58646449456462 2489012 C1COCCN1C(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 1.001 2 6 0 -11.0456522700369 2488999 CC1=CC=C(C=C1)CNC(=O)COC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 4.368 1 3 -9.58810309795178 2488992 CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N 1 2.732 2 3 -12.2285676619059 2488983 CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)NC(=O)CC#N 1 0.431 4 5 0 -22.1592368198487 2488942 CN(CCC1=CC(=C(C=C1)OC)OC)CC2=C(C=CC3=CC=CC=C32)O 1 4.441 1 3 6.26462328641453 2488930 C1=CSC(=C1)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.745 2 4 0 -11.8479920658998 2488926 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=NNC(=O)C5=CC=CC=C5Br 1 6.2 4 2 10.710872652094 2488909 CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NCC(=O)OC 1 2.278 4 3 0 -21.6825632753566 2488887 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)N(C)C 1 0.707 2 4 0 -12.6111007020786 2488863 CCN(CC1=CC(=O)N2C=CSC2=N1)CC3=NC(=O)C4=CC=CC=C4N3 1 1.049 5 2 0 -13.2990996528404 2488824 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4 1 2.952 4 5 0 -26.6924010701128 2488804 CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC(=O)C3=CC=CN3C 1 3.406 3 4 0 -9.3274981999697 2488790 CC1=CC(=NO1)NC(=O)COC(=O)C2=C(C=CC=C2Cl)Cl 1 2.789 2 4 -17.3921438010686 2488773 CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)CSC3=NN=C(S3)C)C4=CC=CC=C4)C)C 1 5.499 5 1 -14.0067565025121 2488770 C1=CC=C(C(=C1)N2C(=NN=C2SCC3=CC(=O)N4C=CSC4=N3)C5=CN=CC=C5)F 1 2.904 6 1 0 -18.6002294004722 2488760 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(N3C)C4=CC=CC=C4OC 1 2.995 7 4 0 -18.3933752323663 2488755 CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)CSC3=NN=C(S3)N 1 2.181 4 4 0 -15.5784235427231 2488745 CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 1.322 3 8 0 -22.777526766335 2488731 CCOCCCNC(=O)/C(=C/C1=CC=C(O1)C)/C#N 1 1.165 2 3 0 -20.2450973974224 2488724 CC1=CC=C(C=C1)N(CCC(=O)NC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)C 1 3.735 2 3 -17.9055852159791 2488718 CC1=C(SC2=C1C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C(=O)NC4=NC=CS4 1 5.142 3 1 -5.56550176457169 2488617 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=C(C=CC(=C3)C(=O)C)OC 1 4.093 3 2 -13.4998440451208 2488598 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.565 2 5 0 -15.1990593502178 2488593 C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.518 2 5 0 -15.5625372770618 2488590 CN(C)C(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=CC=C3 1 2.977 3 1 -9.32695654289816 2488539 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4 1 5.937 4 3 0 -19.6225596862033 2488534 C1CCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.216 2 6 0 -25.8905721181469 2488532 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.78 0 6 -9.33020016376305 2488529 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4 1 6.116 4 3 0 -17.8005609956165 2488517 CC1=NN=C(N(C1=O)N)SCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 1 1.745 6 2 0 -22.5979972965761 2488514 CC1=NN=C(N1N)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC 1 1.291 6 2 0 -15.0231953602568 2488513 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)C3=CC=CN3 1 1.336 2 6 0 -22.2744329029084 2488505 CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)C2=CC=CN2 1 3.199 2 4 -20.9962885661146 2488485 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N3CC(=O)NC4=CC=CC=C43 1 1.038 4 5 0 -18.9982359293454 2488476 CC1=CC=C(O1)/C=C/C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32 1 1.342 2 5 0 -12.281986090617 2488470 C1=CC=C(C=C1)NC2=NN=C(S2)SCC#N 1 2.03 4 0 -10.3901655831637 2488460 C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)COC(=O)C3=C(C=CC=C3Cl)Cl 1 5.875 1 4 -7.02071331226171 2488458 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CC2)S(=O)(=O)N3CCOCC3 1 2.3e-002 2 7 0 -28.9195484608446 2488447 C1CCN(CC1)C(=O)COC(=O)CNC(=O)C2=CC(=CC(=C2)Cl)[N+](=O)[O-] 1 1.486 3 6 0 -15.7346894874511 2488438 C1COC(=CO1)C(=O)OCC(=O)NC2=CC=CC=C2 1 0.235 1 5 0 -10.5128877487499 2488431 C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 1 4.546 1 4 -7.17780419563804 2488354 C1CCC(CC1)NC(=S)NNC(=O)COC2=CC=C(C=C2)C#N 1 2.992 4 2 -13.8036352286853 2488349 C1CCN(CC1)N=CC2=C(C=C(C=C2)F)F 1 2.892 2 0 2.55469779434095 2488340 CN(C1=CC=C(C=C1)O)C(=S)NC2=CN=CC=C2 1 3.327 3 1 -3.30515490716498 2488333 CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCN3C(=O)C4=CC=CC=C4C3=O 1 4.436 3 3 -8.83639820444074 2488324 CCN(C1=CC=CC2=CC=CC=C21)C(=S)NC3=CN=CC=C3 1 4.826 3 0 -8.06969552953684 2488321 CN(CCC#N)C(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 1.831 4 3 0 -25.4616504376609 2488274 CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCN3C(=O)C4=CC=CC=C4N=N3 1 5.053 5 4 0 -27.5471456387417 2488254 C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NN=C(S3)N 1 1.321 4 2 0 -8.86100741837259 2488237 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=NC=C(C=C4)Cl 1 3.142 3 5 0 -22.9362993097469 2488220 CN(CC(=O)N1CCN(CC1)C2=NC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 0.628 5 3 0 -4.63745141683638 2488186 CCC(CC)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.972 4 2 -21.3600417191843 2488166 C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CNC(=O)C3=CC(=CC=C3)OC(F)F 1 3.183 4 5 0 -25.3394189678939 2488127 CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=C(ON=C3C)C 1 3.059 2 4 -10.9454995945375 2488108 C1CN(CC=C1C2=CC=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3 1 4.179 3 1 -9.23256432062153 2488101 CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl)C 1 2.076 3 4 0 -15.1231238225106 2488052 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)F 1 4.258 4 4 0 -26.3733484428566 2488045 CN1C=CC=C1C(=O)NC(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.173 3 5 0 -10.8122098761903 2488039 COC1=CC(=C(C=C1C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)OC)OC 1 2.299 1 7 0 -10.4262574708042 2487967 CC1=CN2C(=NC(=CC2=O)CSC3=NN=C4N3C=CC=C4)C=C1 1 1.879 5 1 0 -20.5285689210885 2487953 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NCCN3C(=O)CSC3=O 1 1.879 2 7 0 -11.9608550128739 2487948 C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC(=CC=C3)F)/C(=O)O 1 3.723 1 4 -10.366280639743 2487941 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC3=C(C=C2)NC4=C3CCCC4 1 4.97 2 3 -6.76994084618098 2487893 CCNC(=S)NC1=CC=C(C=C1)N(C2=CC=CC=C2)C(C)C 1 5.343 3 0 -9.52915078800255 2487892 CC(C)[C@@H](C(=O)OCC1=NN=C(O1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.148 3 4 0 -20.2788965149731 2487812 CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)Cl 1 4.099 2 5 0 -6.66382627191702 2487733 C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)C3=CC=CO3 1 2.231 3 2 1.78548937458468 2487711 CC1=CC=CC=C1NC(=O)CSC2=CC=NC=C2 1 2.343 2 1 -8.35083144495089 2487709 C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCN3C(=O)C4=CC=CC=C4C3=O 1 4.181 3 3 -11.6445517004317 2487707 CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NN=C(S4)SCC5=CC=C(C=C5)F 1 3.69 5 4 0 -25.6374108336325 2487687 CC1=CC=C(C=C1)C(=O)CN2C(=N)SC=N2 1 2.338 3 1 -5.51867921010921 2487681 C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC3=C(C=CS3)C(=O)N 1 2.942 4 3 0 -22.6011937430101 2487668 C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NCCC3=CCCCC3 1 4.905 3 2 -25.5163596592326 2487624 CC1=CSC(=N1)NC(=O)C2=CC=CN2C 1 1.485 3 1 0 -6.00950386266959 2487537 CC1=CC=C(C=C1)NC(=O)NC\2=NN(C(=O)/C2=C\3/CCCN3C)C4=CC=CC=C4 1 3.003 5 2 0 -10.5515209511181 2487512 COC1=CC=C(C=C1)CNC(=O)COC(=O)CC2=CSC=C2 1 2.009 1 4 -15.0598543833126 2487501 C1=CC=C2C(=C1)NC(=O)C3=NNC(=S)N23 1 1.114 4 1 0 -9.60354098367046 2487493 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N 1 3.127 3 4 0 -27.5085023938334 2487489 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3 1 2.925 4 2 -11.1488906669578 2487483 COC1=CC=C(C=C1)NC(=O)C2=NC(=CC=C2)C(=O)NC3=CC=C(C=C3)OC 1 3.073 3 4 0 -7.98618170468219 2487425 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC3=C(C=C(C=C3)F)Cl 1 3.883 2 2 -0.224609236187124 2487366 CCOC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC(=O)C3=CC=CN3C 1 2.731 5 3 0 -16.4440579075142 2487344 CC1=CC(=C(C=C1)C)NC(=O)CC2=NC(=CS2)CCl 1 3.299 2 1 -7.28015009522454 2487330 C1=CSC(=C1)C2=NN=C(O2)SCC3=NN=C(O3)C4=CC=C(C=C4)Cl 1 3.906 4 2 -8.80468135622771 2487302 C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)C(=O)O 1 3.841 3 4 0 -5.15774089359189 2487295 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2CCC(=CC2)C3=CC=CC=C3)N 1 2.481 5 3 0 -13.1996238402831 2487256 CC(C)C1=CC=C(C=C1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3 1 5.4 3 0 -2.85176444288695 2487196 COC1=C(C=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.967 2 4 0 -8.40381892191464 2487185 COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=C(S3)CCCC4 1 4.947 3 3 -20.9378737080692 2487118 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)C3=CN=C(C=C3)Cl)C 1 1.925 5 2 0 -7.22054798522422 2487241 CCC1(C(=O)N(C(=O)N1)CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)CC 1 2.229 5 5 0 -21.2673830544156 2487222 C1=CC=C(C(=C1)CC(=O)OCC(=O)NC2=NC=C(C=C2)Cl)F 1 2.615 2 3 -8.37840796010214 2487220 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)NC3=C(C(=CC=C3)Cl)Cl 1 3.367 3 4 0 -10.8063043018285 2487215 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)/C=C/C2=CC=CS2 1 3.274 2 2 -10.5086333168786 2487130 C1=CC2=C3C(=C1)C(=NNC(=O)C4=CC=C(C=C4)Cl)C(=O)C3=CC=C2 1 3.956 2 2 5.53915051704031e-002 2487110 C1=CC(=CC=C1C#N)OC(=O)C2=NC=CN=C2 1 1.268 3 2 0 -9.88592050847157 2487093 COC1=CC=C(C=C1)CCNC(=O)C2=CC(=C(N=C2)Cl)Cl 1 3.313 2 2 -5.85686582211526 2487083 COC1=CC(=CC(=C1OC)OC)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl 1 2.859 2 5 0 -17.7619487964543 2487058 CC1=CC=NC2=NC(=NN12)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4 1 1.923 6 2 0 -9.45239511414024 2486995 CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)F)F)NC(=O)C3=CC(=CC(=C3)OC)OC 1 4.324 3 4 0 -12.3894505426369 2486932 CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC4=CC(=C(C=C4C3)OC)OC 1 4.501 1 4 -11.4149754910921 2486887 COC1=NC=C(C=C1)NC(=O)CSC2=CC=CC=C2 1 2.38 2 2 -8.33332414799554 2486876 CSC1=C(C=CC=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)F 1 3.376 3 1 -6.83157779553596 2486838 CC1=C(C=C(C=C1)SCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C 1 4.684 3 3 -20.8241851296154 2486837 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=C4C=CC=NC4=C(C=C3)O 1 3.404 3 3 -4.39415769828206 2486814 CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCCNC(=O)N 1 1.668 2 4 0 -16.5975997554026 2486797 C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F 1 5.712 3 2 -23.7269613969584 2486780 C1CCC(CC1)C(=O)NNC2=C3C=CC(=CC3=NC=C2)Cl 1 3.949 3 1 -0.47422727967167 2486757 CC1=C(C=CC(=C1)NC(=O)CC2=CSC=C2)Br 1 3.546 1 1 -6.7011286510295 2486717 C1=CC=C2C(=C1)N=C(S2)SC3=NC=NC4=C3C=CS4 1 4.395 3 0 -1.91669181932881 2486640 CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=CC(=N3)N)N)C(C)C 1 3.992 4 2 -9.15065708799349 2486562 CC1=C(C(=NO1)C)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 1.222 3 5 0 -10.0372486244762 2486537 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC4=CC=CC=C43 1 3.579 3 2 -13.5128425867324 2486510 CCN(CC(=O)NC(C)(C)C)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 3.113 2 2 -16.4974894553367 2486500 CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CN3C(=O)C4(CCC(CC4)C)NC3=O 1 4.002 3 5 0 -13.2964961041798 2486380 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=S)NC2=CC=C(C=C2)F 1 3.88 5 2 0 -11.3652361114333 2486391 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCCC3=CC=CC=C3 1 3.597 3 1 -7.95923771169404 2486416 C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(O3)C4=CC=CS4 1 2.611 2 4 -10.6814400652932 2486398 CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2)C)C 1 4.229 3 2 -12.0218196434944 2486361 C1=CC=NC(=C1)CNC(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 1.41 3 2 0 -13.5425916948236 2486346 CN(C)CCCNC(=S)NC1=CC=C(C=C1)C2=CC=CC=C2 1 4.231 3 0 -5.22520301301014 2486343 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=S)NC2=CC=CC(=C2C)C 1 4.647 5 2 0 -10.2009815509999 2486297 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N(C)CC3=CN=CC=C3)OC 1 2.634 3 4 0 -10.5498585558906 2486190 CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N)C)C 1 3.264 2 3 -5.25398799373398 2486170 COC1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2C3=CC=CC=C3 1 5.597 2 1 -1.64398684487167 2486149 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCOCC3)Br 1 3.402 2 3 -1.61611674287085 2486011 COC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NCC3=CC=CS3 1 2.077 5 2 0 -20.9425089378781 2485913 CCCN1C(=O)C2=C(N=C1SCC(=O)NC3=NOC(=C3)C)SC4=C2CCCC4 1 4.053 4 3 0 -38.0478135434833 2485870 CN(CC1=NC(=O)C2=CC=CC=C2N1)C3=CC=CC=C3 1 2.507 3 1 -3.01605568219441 2485756 CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)C3=C(N(C(=C3)C)C4=NOC(=C4)C)C)C 1 4.334 6 2 0 -23.0761167767807 2485743 C1=CC(=CN=C1)NC=C(C#N)C#N 1 0.206 4 0 0 -2.22238144348265 2485700 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC=C(C#N)C#N 1 1.171 4 2 0 -12.0427830944585 2485684 CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCC4=CC=CC=C4C3)C 1 3.696 5 1 -25.16636300037 2485677 CC(=O)NC1=CC=CC(=C1)NC=C(C#N)C#N 1 0.477 4 1 0 -6.34460849843779 2485634 CN1CCC(CC1)N(C)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 2.053 3 3 -14.900751008831 2485592 CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4 1 3.872 3 3 -21.5377298175879 2485589 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O)CC=C)C 1 4.202 3 4 0 -26.7790893377847 2485580 CC1=CC=C(C=C1)NC(=O)OCC2=CC=CS2 1 3.403 1 2 -2.97625721442895 2485550 CC1=CC(=C(C=C1)N2C(=NN=N2)SCC3=CC=C(O3)C(=O)OC)C 1 3.684 4 3 0 -19.6487571811067 2485525 CC1=CC(=C(C=C1)N2C(=NN=N2)SCC3=NN=C(O3)C4=CC=CC=C4Br)C 1 4.597 6 1 0 -17.7606177898524 2485508 CC1=C(C(=NN1CC(=O)NCC2=CC=C(C=C2)Cl)C)[N+](=O)[O-] 1 2.11 4 3 0 -13.1313852707975 2485331 CC(C)C(=O)OCC(=O)NC1=CC2=C(CCC2)C=C1 1 2.843 1 3 -12.3889310895078 2485329 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CC=C4 1 1.828 3 6 0 -21.6022294271324 2485314 CC1=CC=C(C=C1)CSC2=NN=C(N2CC(C)C)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 4.474 4 3 0 -24.5515840074404 2485295 C1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32 1 1.935 2 5 0 -5.64580916627762 2485209 C1=CC(=CC=C1NC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl)Cl 1 3.802 2 3 -10.0979277298385 2485179 CC(C)(C)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-] 1 2.887 4 4 0 -12.0014189935983 2485125 C1=CC(=CC=C1CNC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl)Cl 1 3.808 2 3 -14.042250812749 2485108 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCC3=CC(=CC=C3)C(F)(F)F 1 3.426 2 3 -6.34969318142994 2485092 COC1=C(C=CC(=C1)C(=O)OCC(=O)NC(=O)C2CCCCC2)OC(F)F 1 3.444 1 6 0 -10.2893806362946 2485089 CN1C=CC=C1C(=O)OCC(=O)NC(=O)NCCOC 1 -1.5e-002 3 5 0 -16.08795620699 2485063 C1=CC(=C(C=C1Cl)Cl)CNC(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl 1 4.473 2 3 -14.8272900578677 2485036 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N 1 1.763 2 5 0 -23.5741170938273 2485034 CC(C)[C@@H](C(=O)NC1=NC2=C(S1)CCCC2)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.356 3 4 0 -21.4430708898844 2484977 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 3.599 2 3 -13.0523291468106 2484940 CC(C)(CNC(=O)C1=CC(=CC(=C1O)Br)Br)CN(C)C 1 3.345 2 2 1.46705794785055 2484808 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 4.017 3 2 -8.41529482356998 2484738 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC3=NC=NC4=C(C=C(C=C43)Cl)Cl)C 1 3.684 4 3 0 -6.66402546180453 2484729 C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N 1 2.027 2 3 -0.343448102098807 2484700 CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C 1 2.866 2 8 0 -16.6663085474764 2484684 CNC(=O)NC(=O)COC(=O)CCC1=NC(=O)C2=CC=CC=C2N1C 1 -5.5e-002 4 5 0 -11.7164229062806 2484663 CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-] 1 4.807 5 3 0 -23.0965835450539 2484622 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=CC=CC=C3OC 1 2.774 2 4 -13.0487292217932 2484593 C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)C3=CC=CN3 1 2.941 2 3 -8.53984325337193 2484589 C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3OC(F)F 1 3.557 2 6 0 -3.64861450409325 2484560 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCC3=CC=CC=C32 1 1.82 3 3 0 -17.2623039731772 2484532 CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN3C(=CC(=NC3=N2)C)C 1 3.524 4 2 -16.4279700647859 2484519 CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=C(N3C)C4=C(OC=C4)C 1 4.149 4 2 -5.5811776591954 2484516 C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC(=O)NC(=O)NCC3=CC=CO3 1 4.54 4 3 0 -14.2564482084374 2484453 COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 3.196 3 3 -12.348811920294 2484450 COC1=CC=CC(=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.57 2 3 -12.9980556393117 2484447 C1=CC=C(C(=C1)C(=O)NCCC(=O)NC2=NC=CS2)Cl 1 1.584 3 2 0 -14.7389365752237 2484437 COC1=CC=C(C=C1)CCNC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.898 2 3 -16.0770062301607 2484434 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CS3 1 1.717 3 2 0 -12.3701167861886 2484385 CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(N=CC=C3)SC 1 3.656 3 1 -8.28182617601575 2484347 COC1=CC=CC(=C1O)C(=O)OCC(=O)NC(=O)NC2CCCC2 1 1.668 2 6 0 -9.64979964065388 2484307 CCCNC(=O)NC(=O)CSC1=C(C=C(C=N1)C(F)(F)F)Cl 1 3.079 3 2 -10.5259908355214 2484167 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4)C 1 3.825 3 4 0 -12.2250015974399 2484172 CCCC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(=O)NC4=CC=CC=C4C 1 5.157 1 5 -9.96070941271032 2484295 CNC(=O)NC(=O)CSC1=C(C=C(C=N1)C(F)(F)F)Cl 1 2.206 3 2 -6.81853275437687 2484288 C1CCC(CC1)C(=O)OCC(=O)NC(=O)CCSC2=CC=CC=C2 1 3.297 1 4 -7.89901097826353 2484257 CC(C)NC(=O)NC(=O)CSC1=C(C=C(C=N1)C(F)(F)F)Cl 1 2.933 3 2 -11.1690395661879 2484157 CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.438 4 4 0 -25.0321836934647 2484145 CC1=C(SC2=NC=NC(=C12)OCC(=O)NC(C)C)C 1 2.052 3 2 -12.9964550849982 2484138 C1COCCN1C2=NC(=CS2)C3=CC4=CC=CC=C4O3 1 2.599 2 2 6.01776968781183 2484019 C1=CC=C(C(=C1)CSC2=NC=NN2)C(=O)O 1 1.886 3 2 0 -12.3764882604431 2484025 C1=CC=NC(=C1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2 1 3.775 3 1 -1.0199743017707 2484034 C1=CC=C(C(=C1)C2=CSC3=C2C(=O)NC(=N3)CC4=CC=CC=N4)Cl 1 3.775 3 1 -4.0465657242669 2484012 C1COCCN1C(=O)CSC2=NN=C(N2N)C3=CC=CO3 1 5.9e-002 5 3 0 -14.2869063868954 2484010 C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3N2)C(=O)O 1 3.642 2 2 -6.53548513378717 2484005 CCOC(=O)C1=C(NC=C1C2=CC=C(C=C2)Br)SCC(=O)NCCC3=CC=C(C=C3)OC 1 5.009 2 4 -11.804530679482 2483918 CC(=O)C1=CC2=C(C=C1NC(=O)CCNC(=O)C3=CC=CC=C3Cl)OCO2 1 2.095 2 5 0 -18.5795298914975 2483897 CC1=NN(C(=C1)NC2=NC(=C(C=C2Cl)Cl)Cl)C3=CC=CC=C3 1 4.967 4 0 0.954191978025714 2483894 CC1=NN(C(=C1)NC2=C(C=C(C=N2)Cl)Cl)C3=CC=CC=C3 1 4.731 4 0 2.34999020580922 2483887 CC1=NN(C(=C1)NC2=NC3=CC=CC=C3N=C2)C4=CC=CC=C4 1 3.379 5 0 1.80573716216941 2483884 CC1=CC=CC=C1N2C(=NN=C2SCC3=C(ON=C3C)C)C4=CN=CC=C4 1 3.786 5 1 -14.3621898311237 2483771 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 3.295 2 3 -5.6688655676651 2483721 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)OCC(=O)NC(=O)NCC4=CC=CO4 1 3.244 4 4 0 -7.32324034542726 2483714 COC1=C(C=C2CN(CCC2=C1)C3=C4C5=C(CCCC5)SC4=NC(=N3)CN6CCCCC6)OC 1 5.701 4 2 -11.0730659009009 2483673 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 -0.292 4 7 0 -11.4970010388812 2483652 CC1=C(SC(=C1C(=O)OCC(=O)NCC2=CC=C(C=C2)OC)NC(=O)C)C 1 1.85 2 5 0 -19.9972869713522 2483623 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4CC(NC(C4)(C)C)(C)C 1 5.747 4 0 -4.33084654167657 2483621 COC(=O)C1=C(SC(=C1CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl)C(=O)OC)N 1 4.315 4 4 0 -9.69130236290395 2483595 C1CCN(C1)CC2=NC3=C(C4=C(S3)CCC4)C(=O)N2 1 2.009 3 1 -12.51555542283 2483583 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=NN3C 1 0.827 8 3 0 -24.9161636137362 2483580 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl 1 4.857 2 4 -11.7527898315728 2483575 CC(C)[C@@H](C(=O)OCC1=C(SC(=C1C(=O)OC)N)C(=O)OC)NS(=O)(=O)C2=CC(=CC=C2)Cl 1 3.065 2 8 0 -17.1786794441919 2483569 CC1=C(SC(=C1C(=O)OCC(=O)NCC2=CC=CC=C2)NC(=O)C)C 1 1.867 2 4 0 -20.4701786156227 2483565 CC1=C(SC(=C1C(=O)OCC(=O)NC2=CC=CC=C2)NC(=O)C)C 1 1.86 2 4 0 -15.4974458802675 2483550 CC(C)(CNC(=S)NCC1=CC2=C(C=C1)OCO2)CN(C)C 1 3.062 3 2 -8.89661324792904 2483502 CC1=C(SC(=C1C(=O)OCC(=O)NC2=CC(=CC=C2)OC)NC(=O)C)C 1 1.844 2 5 0 -15.3260096077155 2483500 CC1=C(SC(=C1C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)NC(=O)C)C 1 2.531 2 4 -17.8333650202563 2483463 CC1=CC(=NO1)NC(=O)COC(=O)COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3 1 2.342 2 7 0 -27.1710670993363 2483429 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NCC(F)(F)F)Cl)CC2=C(C=CC=C2Cl)Cl 1 4.524 3 3 -14.8091748689577 2483422 CN1C2=CC=CC=C2C(=O)N=C1CCC(=O)OCC(=O)NCC(F)(F)F 1 1.173 3 4 0 -15.865811805242 2483351 CC1=C(SC(=C1C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)C)NC(=O)C)C 1 2.799 2 4 -18.5433077545582 2483332 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC(=C(C=C3NC(=O)C4=CC=CS4)OC)OC 1 4.813 2 6 0 -19.5474300485624 2483322 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC4=C(C=CC(=C4)OC)C(=C3)C 1 4.17 5 4 0 -9.80783275724954 2483306 CC1=C(SC(=C1C(=O)OCCOC2=CC=CC=C2)NC(=O)C)C 1 2.856 1 4 -13.1925158411037 2483295 CC1=C(C=C(O1)CSC2=NC3=CC=CC=C3C(=O)N2C)C(=O)OC 1 3.002 2 4 -15.247439941616 2483290 COC1=CC(=CC(=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=C(C(=C(C=C2)F)F)F)OC 1 1.668 2 7 0 -15.3520095383515 2483287 CC1=C(C(=NO1)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 1 3.428 2 5 0 -11.5338995989759 2483284 CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C(=O)OCC(=O)N3CC(=O)NC4=CC=CC=C43 1 3.149 3 5 0 -16.6575382338289 2483272 CCCN(CC1CC1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)OCC 1 3.585 2 6 0 -23.0766435492704 2483258 CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 1.383 5 6 0 -22.2103456919221 2483257 CC(C)(C)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)/C=C/C1=CC=CC=C1 1 0.161 3 6 0 -10.3886660462854 2483253 CC1=C(SC(=C1C(=O)OCC(=O)NCC2=CC=C(C=C2)F)NC(=O)C)C 1 2.072 2 4 -18.9434866853778 2483251 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4 1 1.646 4 5 0 -12.6221537051235 2483222 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=CC=CC=C2)C 1 2.542 2 5 0 -13.4085568268724 2483202 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CN=C(C=C3)Cl 1 2.112 2 3 -10.8538608298742 2483199 C1=CC=C2C(=C1)C(=CN2)CC(=O)NCC3=CC=C(C=C3)Cl 1 3.614 2 1 -8.5538997365221 2483195 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2F)C 1 3.695 1 4 -8.33254243925709 2483185 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NCC2=CC=C(C=C2)C)C 1 3.035 2 5 0 -17.3845223657433 2483156 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC)C 1 2.516 2 7 0 -21.8400634626912 2483143 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NCC2=CC=C(C=C2)F)C 1 2.755 2 5 0 -16.4843487459442 2483068 CN1C=CC=C1C(=O)NC(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 1.295 3 6 0 -13.33814747867 2483085 CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3CCCCC3 1 2.435 3 6 0 -24.7437688215048 2483087 COC1=CC=C(C=C1)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl 1 3.112 4 2 2.52786195256762 2483113 C1CN(CCN1CC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.114 4 3 0 -21.5017627028376 2483020 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 1.976 5 2 0 -23.6280739323403 2483002 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)C2=CNC3=CC=CC=C32)OC(F)F 1 4.491 1 5 -4.19698452506588 2482985 CC1=C(SC=C1)C(=O)OCC(=O)NC2=C(C=CC=C2Cl)C(F)(F)F 1 4.368 1 3 -9.79112437965146 2482966 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CS3)CC4=CC=C(C=C4)F 1 4.408 3 2 -23.2630521964709 2482957 C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=C(C=C(C=C5)F)F 1 5.917 3 2 -22.5619506003467 2482926 CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2Cl 1 4.2 2 4 -25.1293204225072 2482902 CC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC2=C(C=CS2)C#N)C 1 -0.15 4 5 0 -18.1138630042316 2482888 CC1=C(N=C(N=C1C)SCC(=O)NCC2=CC=CS2)C 1 2.548 3 1 -14.7829514761475 2482850 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC(=O)CNS(=O)(=O)C4=CC=C(C=C4)NC(=O)C 1 1.759 3 8 0 -18.9595873633723 2482846 CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C)C 1 3.288 5 4 0 -31.4244581272857 2482839 C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5F 1 5.712 3 2 -22.4749022167458 2482812 CC(C)(C)NC(=O)NC(=O)COC(=O)CN1C=NC2=CC=CC=C2C1=O 1 0.434 4 5 0 -16.1825311522497 2482804 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)NC(=O)NCC=C 1 -6.4e-002 6 4 0 -21.4102592768026 2482722 CCC1=CC2=C(S1)N=CN=C2SCC(=O)NC(=O)C3=CC=CN3C 1 3.104 4 2 -12.7963758395515 2482714 CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)NCC2=CC=CS2)C 1 3.527 1 3 -15.8496341971254 2482708 CC(C)CNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC(F)(F)F 1 1.855 2 5 0 -22.1429826303396 2482686 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=NC(=C(C(=C2Cl)Cl)Cl)Cl 1 4.473 2 3 -13.0711789538142 2482653 CC(=O)C1=CC(=CC=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.327 2 3 -15.5127587479764 2482646 C1CSC(=N1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.075 3 2 -19.7942094224739 2482622 C1CC1C2=NN=C(S2)NC(=O)CSC3=CC=CC=C3 1 2.5 3 1 -10.1677771651183 2482554 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 1.464 7 4 0 -18.1452630306387 2482544 CCCNC(=O)COC1=NC2=CC=CC=C2N=C1N3CCOCC3 1 1.518 4 3 0 -11.0255897174331 2482519 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)N3CCC4=CC=CC=C43 1 1.397 5 3 0 -20.0260650950113 2482511 CC1=NC2=CC=CC=C2N=C1OCC(=O)NC3=CC=C(C=C3)F 1 2.941 3 2 -4.2429269356691 2482487 CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=NC=CN=C2N)C 1 1.324 4 3 0 -15.0651720844618 2482476 COC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32)NC(=O)C4=CC=CO4)OC 1 3.381 2 7 0 -13.3070875114995 2482458 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)CC5=CC=CS5 1 4.683 4 3 0 -10.4723283621437 2482456 CN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2Br)F)F 1 2.279 4 1 -16.7914406661904 2482439 C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3N)C4=CC=CC=N4)[N+](=O)[O-] 1 2.054 6 4 0 -10.2744463142193 2482438 C1=CC=C(C(=C1)OCC2=NN=C(O2)SCC(=O)NC(=O)NCC3=CC=CO3)Cl 1 2.317 4 5 0 -21.7634200180874 2482422 C1CN(CCN1C(=O)C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(S3)Br 1 2.061 3 3 -17.8271654360774 2482420 CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C 1 2.051 5 3 0 -17.7170773220922 2482376 C1=CC=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=C(C=CC=C2Cl)Cl 1 3.281 1 5 -15.1258125263777 2482375 CC(C)NC(=O)CSC1=NN=C(O1)COC2=CC=CC=C2Cl 1 2.498 3 3 -25.0550179682099 2482373 CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CN3C(=O)C(=O)N(C3=O)CC(C)C 1 3.15 3 4 0 -11.7767032903165 2482341 C1=CC=C(C(=C1)OCC2=NN=C(O2)SCC3=CC(=O)N4C=CSC4=N3)Cl 1 2.577 4 3 0 -23.856888140306 2482319 CC(C)(C)NC(=O)CSC1=NN=C(N1C)C2=NC=CN=C2 1 0.526 6 1 0 -19.1815727710448 2482318 CC1=C(C(=NO1)C)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2OC 1 1.372 3 5 0 -20.67888822012 2482316 CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=N4 1 5.435 4 1 -5.13369284288902 2482310 CC(C)NC(=O)NC(=O)CSC1=NN=C(O1)COC2=CC=CC=C2Cl 1 2.278 4 4 0 -23.6808396554563 2482307 CC(C)(C)NC(=O)NC(=O)CSC1=NN=C(O1)COC2=CC=CC=C2Cl 1 2.483 4 4 0 -23.2972136483194 2482273 CC1=C(C(=CC=C1)C)NC2=NN=C(S2)SCC(=O)NC3=C(C=CS3)C#N 1 3.574 5 1 -21.1513857859418 2482271 CC1=C(C(=NO1)C)COC(=O)[C@H](C)NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl 1 2.726 2 5 0 -18.6709929385085 2482266 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)CC5=CC=CS5 1 5.048 4 3 0 -19.2871693441953 2482251 C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 3.257 3 1 -4.56051155469296 2482217 C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=N4 1 4.846 4 0 -7.2139780998593 2482196 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCOCC2 1 -0.239 3 4 0 -12.5654689935442 2482182 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)C2=CC=CN2C)[N+](=O)[O-] 1 2.165 3 6 0 -14.1376648708167 2482173 CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)CSC3=NC(=CC(=N3)N)N 1 4.064 5 1 -4.04043254555259 2482130 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C 1 2.799 4 4 0 -7.9140893562482 2482078 COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC3=C(CCC3)C=C2)OC 1 3.439 1 6 0 -6.89796732462436 2481997 C1=CC=C(C(=C1)C(=O)NCCC(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)Cl 1 4.277 2 2 -12.2345889608981 2481996 COC1=CC(=C(C=C1)OC)/C=C/C(=O)OCC(=O)NCC2=CC=CS2 1 2.503 1 5 -13.1384557972696 2481995 C1=CC=C(C(=C1)C(=O)NCCC(=O)NC2=NC3=CC=CC=C3S2)Cl 1 3.212 3 2 -10.6681271016619 2481957 CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)Cl 1 3.609 3 3 -10.4078098577279 2481895 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC4=CC=CC=C43 1 4.315 2 4 -22.8218726015484 2481791 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)C2=CC=CN2C 1 -0.333 4 7 0 -17.534237211516 2481760 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC(=O)C)OC 1 1.754 2 5 0 -13.0807094157984 2481738 CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)O 1 4.411 3 5 0 -23.9691919697057 2481735 CC(C)CNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N 1 1.306 2 5 0 -20.3748770396705 2481731 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)CNS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.485 2 5 0 -14.0415203519415 2481727 CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC=C)C3=CC=CC=C3 1 3.831 4 3 0 -30.1427632432813 2481711 C1CC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 3.161 1 2 -5.8151634785367 2481682 COC1=CC=CC(=C1)/C=C/C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.778 2 4 0 -10.9545203539615 2481641 C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=O)NC4=CC=CC=C43 1 2.284 2 2 -14.7300682614314 2481637 CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2 1 2.771 2 3 -17.4554031772017 2481623 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3OCC4=CC=CC=C4Br 1 3.311 4 2 -3.89199532380573 2481608 CC1=CC(=CC=C1)OCCC(=O)NCC(=O)NC2=C(C=CC=C2C)C 1 3.216 2 3 -14.6231640951808 2481587 CCOC1=C(C=CC=N1)C(=O)OCC2=C(C=CC=C2Cl)F 1 3.859 1 3 -9.14267809251855 2481579 CCN(CC(=C)C)C(=O)CSC1=NC2=NC=C(C=C2N1)Cl 1 2.816 4 1 -14.7661456430666 2481501 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F 1 3.931 3 4 0 -5.99693475591606 2481484 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3)C 1 3.966 3 5 0 -14.5553086896238 2481465 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3F)N 1 1.787 6 3 0 -19.9957878743249 2481438 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)N 1 0.431 7 3 0 -19.2660886448586 2481436 CC1=CC(=C(C=C1)OC)NC(=O)CN(C)C2CCCCC2 1 3.284 2 2 -10.5073610884464 2481407 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC=CC=C2OC 1 1.847 2 4 0 -10.7574322657177 2481404 CCOC1=CC=CC=C1C(=O)N(C)CC(=O)NC2=CC=C(C=C2)OC 1 2.196 2 4 -11.2358603776696 2481394 CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.372 2 5 0 -18.4135374020717 2481385 CC1=CC=C(O1)CN(C)C(=O)C2=CC=CC=C2OC3=CC=CC=C3 1 3.715 1 3 -3.29729533141962 2481336 CC(C)[C@@H](C(=O)OCC(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)NS(=O)(=O)C4=CC(=CC=C4)Cl 1 4.563 2 7 0 -25.5913518809474 2481311 CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 4.53 2 5 0 -22.0982059809716 2481310 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl 1 3.154 4 3 0 -22.3643110015941 2481308 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2=CC(=CC=C2)OC 1 2.48 2 3 -8.84528989839512 2481288 CCOC1=CC=C(C=C1)C=NOCC(=O)NC2=NOC(=C2)C 1 1.803 3 4 0 -12.2868085361735 2481272 CCN1C(=NN=C1SCC2=NC(=NO2)CC(=O)NC3=CC=CC=C3OC)C4=CC=CS4 1 3.162 6 3 0 -20.3010105830905 2481264 CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)N3CCOCC3)Br 1 0.715 3 5 0 -22.764730430535 2481263 CCOC1=C(C=CC=N1)C(=O)NCCC2=CC=C(C=C2)Cl 1 3.328 2 2 -9.27446726020602 2481261 C1=CC2=C(C(=C1)SCC(=O)NCC3=CC=CS3)C(=CC=C2)Cl 1 4.327 1 1 -11.8738579197544 2481225 CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=COC3=CC4=C(CCC4)C=C32 1 4.214 1 4 -11.9614657028521 2481198 CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl 1 1.566 3 6 0 -17.032747973703 2481186 CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=C(C=C3)C#N 1 2.876 3 3 -12.3705205482353 2481147 C1CC(CCC1NC2=C3C=CSC3=NC=N2)O 1 2.081 3 1 -4.37567022660473 2481125 COC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC(=CC(=C2)OC)OC 1 1.951 1 7 0 -17.7234755023063 2481081 CC1=CC(=CC(=C1)C(=O)OCC(=O)NCC2=CC=CS2)C 1 3.041 1 3 -15.7474856091127 2481080 CC1=C(SC=C1)C(=O)NCC2=CC=CC=C2Cl 1 3.725 1 1 -10.184982789479 2481055 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N 1 1.675 3 5 0 -8.75668687569184 2481029 C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F 1 3.674 4 3 0 -22.3057933246732 2481026 CC1=C(N=C(S1)NC(=O)CSCCO)C2=CC=C(C=C2)OC 1 1.965 2 3 0 -8.27315189766671 2481024 CC1=C(C2=CC=CC=C2N1)C3=CSC(=N3)NC(=O)CSCC(=O)O 1 2.296 3 3 -6.54596576118352 2480993 C1CN(CCC1C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 2.565 3 5 0 -17.7444879696092 2480989 CC1=CC(=C(C=C1NC(=O)CCSC2=CC=CC=C2Cl)[N+](=O)[O-])C 1 4.787 2 3 -13.2537908768772 2480985 C1CN(CCC1C(=O)N)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 -0.272 3 5 0 -19.7390770171399 2480984 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)OCC(=O)N)S(=O)(=O)C 1 2.707 4 5 0 -17.2889097027371 2480982 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCCN(C)C)Cl)Cl 1 3.541 3 3 -10.2899220360303 2480970 CCN(CC)CCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)C)C 1 3.396 3 3 -11.0181658102434 2480966 CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 1 1.574 4 2 0 -9.87749754784497 2480964 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C1C(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 2.658 2 3 -12.9116544646238 2476667 COC1=C(C=C(C=C1)CNC2=NC(=C(S2)Cl)S(=O)(=O)C3=CC=CC=C3)OC 1 3.814 2 4 -12.1189169207731 2476666 C1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)NC3=CC(=CC=C3)O)Cl 1 3.598 2 3 -3.36813042360238 2476654 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3OC)COC4=CC=CC=C4C5=CC=CC=C5)N 1 3.879 6 5 0 -19.2436879463821 2476607 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CSC3=CC=CC=C3 1 3.919 2 3 -4.51825569986976 2476598 CC1=CC=C(C=C1)CNC(=O)COC2=CC=CC=C2C3=CC=CC=C3 1 4.461 1 2 -6.84213977208198 2476553 C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NNC(=N3)N 1 2.141 5 1 -11.299280763855 2476521 COC1=CC=C(C=C1)CCNC(=O)CNC(=O)C2=CC=CO2 1 1.381 2 4 0 -12.7980119143116 2476519 CCC1=CC=C(C=C1)CN(C)C(=O)CCC2=NC3=CC=CC=C3N(C2=O)C4=CC=C(C=C4)OC 1 4.755 3 3 -15.9929860722318 2476501 CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NCCCSC 1 2.992 3 1 -16.2332005826342 2476465 C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=CNC4=CC=CC=C43 1 3.201 3 1 -5.34677930864851 2476447 CSC1=CC=CC=C1NC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 5.85 2 0 -5.12843814693828 2476421 C1=CC=C(C=C1)C(=O)NCN2C=NC=CC2=O 1 0.219 3 2 0 -7.36738416036791 2476404 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 3.764 3 4 0 -12.8157065908676 2476398 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NNC(=O)C4=CC=CC=C4 1 2.639 3 4 0 -20.5121657243736 2476388 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl 1 3.894 3 3 -5.00862206023792 2476382 C1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)NCC3=CN=CC=C3)Cl 1 2.697 3 2 -10.0243199077904 2476377 C1CC1NC2=NC(=C(S2)Cl)S(=O)(=O)C3=CC=CC=C3 1 2.753 2 2 -9.82560827557251 2476375 CC(C)CNC1=NC(=C(S1)Cl)S(=O)(=O)C2=CC=CC=C2 1 3.456 2 2 -10.4610113561825 2476365 C1=CC(=C(C(=C1)Cl)Cl)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.876 4 4 0 -6.37874938576402 2476363 CC1=CC(=C(C=C1Cl)OC)NC2=NC=CC=N2 1 2.619 3 1 -2.53535381393601 2476231 CCCNC(=O)COC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3F 1 2.773 1 5 -12.8560299554813 2476226 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1.189 4 3 0 -18.1590867202591 2476054 C1=CC(=CN=C1)NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.884 5 0 2.72153889738529 2476046 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CSC2=NN=C(S2)N 1 1.956 4 3 0 -19.1237626545261 2476031 COC1=CC=CC=C1CNC(=O)COC(=O)CN2C=NC3=CC=CC=C32 1 1.885 3 4 0 -16.9074179667171 2476017 C1CN(CCN1C(=O)CNC(=O)C2=CC=CC=C2)C(=O)C3=CC=CO3 1 0.58 3 4 0 -13.1371241740214 2475995 C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NS(=O)(=O)C4=CC=CC=C4 1 3.657 3 2 -2.65292895859305 2475985 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CC=C4)C 1 3.289 3 6 0 -19.9348888453429 2475979 CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)C2CCCCC2)[N+](=O)[O-] 1 2.076 2 8 0 -15.5362170566025 2475978 COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)O)Cl)C(=O)OC 1 2.883 1 5 -7.25931647980504 2475956 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=CN3C)C 1 1.721 3 4 0 -15.1387613669059 2475907 CC(C)[C@@H](C(=O)OCC(=O)NC(=O)N)NS(=O)(=O)/C=C/C1=CC=CC=C1 1 0.351 3 6 0 -11.250244492637 2475872 COC1=C(C=C2CN(CCC2=C1)C(=O)/C=C/C3=CC=C(C=C3)F)OC 1 3.542 1 3 -9.89840073346757 2475845 CC(C)CNC(=O)NC(=O)COC1=C2C=CSC2=NC=N1 1 1.666 4 3 0 -10.8358023420819 2475821 CC1=CC(=CC=C1)OCCSC2=NC(=CC(=N2)N)N 1 2.817 4 1 -2.24057836269729 2475805 CC1=NC(=CS1)COC(=O)C2=C(C=C(C=C2)OC)O 1 1.941 1 4 0 -1.10851910225431 2475768 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C 1 1.42 3 7 0 -31.0729999049029 2475711 CC1=C(SC(=C1C(=O)OCCOC)NC(=O)CSC2=CC=CC=[N+]2[O-])C(=O)N 1 0.843 3 6 0 -21.1201838714651 2475679 CN(CC1=C(C=CC2=CC=CC=C21)O)CC(=O)NC3=CC=CC=C3SC 1 3.748 2 2 -4.31453416688598 2475617 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCC3=CC=CC=C32 1 0.691 3 6 0 -21.3639507926128 2475619 CC1=CC(=C(N1CCC(=O)OC)C)C(=O)COC2=CC=CC=C2C(=O)N 1 1.617 2 5 0 -13.3537487416314 2475628 CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC 1 2.317 3 0 -4.57690868981797 2475635 C1CCN(CC1)C(=O)COC2=CC=CC=C2C(=O)NCC3=CC=CC=C3 1 2.788 2 3 -15.4599671446347 2475666 CC(=O)NC1=CC=CC=C1OCCOC2=CC=C(C=C2)Br 1 3.314 1 3 -6.49691833570495 2475655 CC1=C(SC(=N1)C2=CC=CS2)C(=O)NC 1 1.946 2 1 0 -9.64639259032342 2475651 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CNC4=CC=CC=C43 1 3.316 3 4 0 -8.09758333068693 2475649 CC(C)C1=CC(=C(C(=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CO2)O)C(C)C 1 3.436 2 6 0 -8.17101796350638 2475647 CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C(=O)C(=C(C=N3)Cl)Cl)Cl 1 3.402 2 3 3.12443918229239 2475602 C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=CS3 1 3.205 2 1 -8.89863505755734 2475600 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC=CS3 1 0.907 3 4 0 -24.6273992431575 2475598 C1CN(CCC1C(=O)NC2=NC=CS2)S(=O)(=O)C3=CC=CS3 1 0.987 3 3 0 -11.7785411706427 2475597 C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCC(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 3.523 3 3 -10.4126821303433 2475582 CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=NC=C(C=C3)Cl 1 3.199 2 4 -4.46179014952886 2475570 CCCN1C(=CC(=C1C)C(=O)COC(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32)C 1 2.046 3 5 0 -16.9415827826922 2475567 C1CCN(CC1)C2=CC=CC=C2NCC(=O)NC3=CC=CC=C3C#N 1 3.233 4 1 -8.65243811759865 2475547 CC1=CC=CC=C1N2C=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.441 5 1 -11.1788738133323 2475535 C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NN=C(S2)N 1 0.984 4 3 0 -17.0608897116187 2475524 CN(CC1=CC=CS1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.262 4 0 2.33505176697407 2475493 C1=CC=C(C(=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Cl 1 2.135 4 5 0 -18.1333488244492 2475491 CCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCC4 1 1.9 5 4 0 -26.3442401638503 2475489 CCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4 1 1.9 5 4 0 -25.9751435651133 2475487 CN(C)CCNC(=O)/C=C/C1=CN(N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4 1 3.848 4 3 0 4.4976366640242 2475478 CCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C 1 0.35 5 4 0 -31.3769985917221 2475465 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4 1 1.91 2 4 0 -7.96024781716333 2475450 CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.706 5 1 -9.51994877369124 2475399 C1=CC=C(C=C1)COC(=O)CSC2=NN=C(S2)N 1 1.931 3 2 0 -13.540915999174 2475371 COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CSC2=NN=C(S2)N 1 0.839 4 5 0 -23.94055083815 2475353 CC1=CC(=NC2=NC(=NN12)SCC3=NN=C(O3)C4=CC=CS4)C 1 2.898 6 1 0 -15.6430604127698 2475352 C1=CC=C(C=C1)S(=O)(=O)NCCC2=CNC3=CC=CC=C32 1 2.939 2 2 -7.76658596043279 2475350 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC4=CC=C(C=C4)C#N 1 3.883 2 4 -7.58717697795848 2475338 CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NN=C(S2)N 1 2.178 4 3 0 -16.6207758765938 2475308 CC1=CC=C(O1)C(=O)N2CC(=O)NC3=CC=CC=C32 1 1.167 2 3 0 -10.2537441215109 2475280 CCCN1C2=C(C=N1)C(=NC=N2)NC3=CC(=C(C=C3)C)C 1 3.397 5 0 2.66712411956766 2475269 COC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3 1 1.595 5 2 0 -10.2032790354235 2475232 C1=CC=C(C=C1)C2=CC=C(C=C2)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 4.002 2 3 -6.45226584035244 2475171 CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=NN(C(=O)C=C3)C 1 1.694 5 2 0 -1.32195066204989 2475147 CCCOC1=C(C=C(C=C1)C(=O)NCC2(CCCCC2)N(C)C)OC 1 3.731 2 3 -12.4309757001024 2475133 C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3)O 1 1.956 2 6 0 -9.05071794024368 2475132 CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 1 3.995 4 3 0 -19.1800392494763 2475122 C1CC1NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC(=C3)C#N 1 2.191 3 2 -14.1275827083009 2475064 COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CN=C(C=C3)OC 1 2.308 2 4 -7.62688413855912 2475059 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(O4)SC 1 4.832 3 1 -1.70429311974765 2475007 CC(=O)NCCNC(=O)CNC(=O)C1=CC=C(C=C1)Cl 1 -4.6e-002 3 3 0 -13.4345551841597 2475005 COC1=C(C=CC(=C1)C(=O)OCC2=CC(=O)C(=CO2)O)OC(F)F 1 1.722 0 7 0 -7.46807941632954 2474976 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCCSC2=NN=CS2)N 1 1.626 6 3 0 -17.8624360507401 2474955 CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CC(=O)NC4=CC=CC=C43 1 0.939 5 4 0 -16.8386995383632 2474950 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3CCCCC3)C 1 2.592 2 4 -12.9399666934169 2474928 COC1=CC=CC=C1NC(=O)CN2CC(=O)NC3=CC=CC=C32 1 1.418 3 3 0 -18.2120890651081 2474913 CC1=CC(=NC2=NC(=NN12)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C 1 1.597 7 2 0 -25.5351280313251 2474912 CC(C)CCNC(=O)NC(=O)CSC1=NC=CC=N1 1 1.534 4 2 0 -16.0617314509322 2474891 CC1=CC=C(C=C1)C2=NN(N=N2)CCOC3=CC(=CC=C3)Br 1 4.372 4 1 3.24056802734707 2474878 CC1=CSC(=N1)NC(=O)C2=CNC(=O)C=C2 1 -0.3 3 2 0 -9.56001114648973 2474873 C1=CC=C(C=C1)CNC(=O)COC(=O)CCC2=CNC3=CC=CC=C32 1 3.113 2 3 -16.96644606129 2474861 CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)CSC3=NC(=O)C=C(N3)N 1 2.969 4 3 0 -16.6285136786725 2474854 C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4 1 3.056 4 0 2.02618921284824 2474806 COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 2.908 0 7 0 -18.3987298969867 2474795 C1=CC=C2C(=C1)C(=CN2)CCC(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 3.075 3 2 -16.8556604715694 2474793 C1=CC(=C(C(=C1NC(=O)CNC(=O)C2=CC(=CN=C2)Br)F)F)F 1 1.888 3 2 0 -10.5406284675442 2474792 C1CN(CC2=CC=CC=C21)C(=O)C3=CN=C(C=C3)Cl 1 2.625 2 1 -11.660426438594 2474783 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C 1 1.886 3 5 0 -18.9648127476381 2474782 C1CN(CC2=CC=CC=C21)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.197 2 4 -26.1919466686127 2474781 C1CN(CC2=CC=CC=C21)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5 1 3.841 3 2 -14.0212666042531 2474752 CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2 1 2.428 1 3 -15.057829400681 2474737 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)NCC5=CC=CO5 1 2.229 3 6 0 -8.47584336713709 2474695 CC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN(C)C)CC2=CC=CC=C2 1 4.572 3 1 -13.855287789975 2474690 C1CN(CC2=CC=CC=C21)C(=O)COC3=CC=CC=C3C(=O)N 1 1.739 2 3 0 -12.256880572332 2474679 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)F 1 2.562 2 5 0 -16.4842100056876 2474678 COC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCCC2=O)OC 1 0.957 1 6 0 -12.2270781533893 2474671 C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 0.383 3 4 0 -31.7753142251485 2474665 C1=CC=C(C(=C1)C(=O)NCC(=O)NCCC2=CC=C(C=C2)Cl)F 1 2.872 2 2 -12.7083280314409 2474646 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC3=NN=C(O3)C4=CC=CS4 1 2.254 4 3 0 -10.5214881578033 2474632 CC1=CC=C(C=C1)N(CCC(=O)NC2=NN=C(S2)C3CC3)S(=O)(=O)C4=CC=CC=C4 1 3.386 4 3 0 -16.5505050922745 2474627 CN(CC1=C(C(=CC=C1)Cl)Cl)C(=O)C2=CC=C(C=C2)NC(=O)CC#N 1 3.336 3 2 -11.3233700697202 2474612 CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC3=C2C=CC=N3 1 1.921 3 2 0 -9.71960966457973 2474608 C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)NC3=NC=CS3 1 1.427 3 2 0 -14.6655811046051 2474595 CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CC=N3 1 2.326 2 3 -11.7068317129876 2474590 C1=CC=NC(=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)F)F 1 2.929 3 1 -3.89882091871233 2474572 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=S)NCC3=CC=CO3 1 2.84 3 2 -15.3734867592908 2474543 CCCOC1=CC=C(C=C1)C(=O)NCC(C)(C)N2CCOCC2 1 2.303 2 3 -10.6123312922656 2474520 COCC1=C(OC2=CC=CC=C21)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.951 2 5 0 2.55715572906902 2474510 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F 1 2.406 3 4 0 -21.7913012209995 2474505 CCOC1=CC=C(C=C1)C2=NC(=CS2)CSC3=NN=C(S3)N 1 3.152 4 1 -2.55903977828659 2474476 CCOCCCN1C(=O)C(=C2CCCCCN2C1=S)NC(=O)C3=CC=C(C=C3)OCC 1 3.463 3 4 0 -17.0513540869018 2474470 C1CN(C2=CC=CC=C21)C(=O)CNC3=CC=CC=C3N4CCOCC4 1 2.405 3 2 -12.4205950546502 2474469 C1=CC=C(C=C1)C(=O)COC(=O)CSC2=NN=C(S2)N 1 1.603 3 3 0 -18.4180556438101 2474464 CC1=CC(=CC=C1)OCCC(=O)NC2=NN=C(S2)C 1 1.919 3 2 0 -11.739197652644 2474452 CC1=CC=C(O1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Br)Br 1 2.865 2 4 -13.7235729091587 2474450 CC1=C(SC(=N1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)C(=O)C)C(=O)C 1 2.87 2 4 -5.30209678443664 2474394 CCCN1C2=C(C(=CC(=N2)C3=CC=C(C=C3)C)C(F)(F)F)C(=O)NC1=O 1 4.407 3 2 -0.752622156440091 2474351 C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)Cl)/C=C/C(=O)O 1 4.772 2 2 3.58569710297582 2474331 C1CCC(C1)(CC(=O)N2CCOCC2)C(=O)O 1 0.532 1 4 0 -8.13738307934753 2474315 COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=CS3)OC 1 3.47 1 5 -6.71674242170461 2474311 C1=CC(=C(C=C1Br)F)NC(=O)COC(=O)CSC2=NN=C(S2)N 1 1.938 4 3 0 -15.262061977614 2474291 CCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C 1 5.07 4 0 -0.242453512564534 2474290 C1=CC(=CC=C1COC(=O)CSC2=NN=C(S2)N)F 1 2.136 3 2 -12.0142240689292 2474286 CCOC(=O)C1=C(SC(=N1)NCCC2=CC=CC=C2)C 1 2.846 2 2 -6.50886079026914 2474271 COC1=CC=CC=C1NC(=O)C2=CN(N=C2C3=CC(=CC=C3)Cl)CCC#N 1 3.838 4 2 -5.22894468998311 2474265 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C=O)OC 1 2.022 1 4 -14.5416950898315 2474210 C1=CC(=CC=C1/C=C/C(=O)O)N2C=CN=C2 1 1.597 2 2 0 0.377686656237239 2474196 CCC(C)(C)NC(=O)C1=C(C2=C(O1)C=CC(=C2)OCC)C 1 3.906 1 3 1.59333510668152 2474182 C1=CC(=C(C=C1COC(=O)CSC2=NN=C(S2)N)Cl)Cl 1 3.26 3 2 -11.073488600769 2474178 C1=C(SC(=C1)Br)CN2C(=CC=N2)N 1 1.749 3 0 0 -4.708972345963 2474174 C1=CC(=CC=C1C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)O)CCC#N)[N+](=O)[O-] 1 2.714 5 5 0 -9.08123130468844 2474170 C1COCCN1C(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)CCC#N 1 1.293 4 4 0 -10.3799073657532 2474169 COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC(=C3)C(=O)O)CCC#N)OC 1 2.787 4 5 0 -11.1079700590064 2474165 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=C(C=C3)OC)[N+](=O)[O-])CCC#N 1 2.808 5 5 0 -13.9275252875925 2474158 COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC=CC=C3)CCC#N)[N+](=O)[O-] 1 3.075 5 4 0 -14.4375137567307 2474154 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)CCC#N 1 3.18 4 5 0 -12.3022868707867 2474147 COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC(=C3)C(=O)O)CCC#N)[N+](=O)[O-] 1 2.698 5 6 0 -12.2584030824189 2474145 C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C(=O)NCC4=CC=CC=C4)CCC#N 1 2.983 4 3 0 -12.1045509621645 2474141 C1=CC=C(C(=C1)C(=O)COC(=O)CSC2=NN=C(S2)N)Br 1 2.352 3 3 -15.5646611049896 2474133 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NN=C4N3C=C(C=C4Cl)Cl 1 4.117 5 1 -8.4657957062114 2474126 CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)COC2=C3C=CSC3=NC=N2 1 2.509 4 3 0 -14.9000020540998 2474072 CC1=CC(=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC(=CC=C2)OC)Cl 1 2.727 3 3 -3.46892203755242 2474038 CC1=CC(=NC2=NC(=NN12)SCC(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC(C)C)N)C 1 1.943 8 3 0 -21.8300590938864 2474036 CC1=C(C=C(C=C1)NC(=O)CN2CCC3=CC=CC=C3C2)F 1 3.306 2 1 -6.55873408311777 2474022 C1=CC2=C(C=C1NC(=S)NC3=C(C=C(C=C3)Cl)Cl)NC(=O)N2 1 4.558 4 1 -11.5469968398942 2474001 C1=CNC(=C1)C(=O)COC(=O)C2=CC=C(S2)Cl 1 2.738 1 3 -3.32728728963906 2473993 C1=CC(=CC=C1COC(=O)CSC2=NN=C(S2)N)C#N 1 1.81 4 2 0 -15.3518402440651 2473974 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CS3)C#N)C)C 1 3.15 4 3 0 -19.6635234430567 2473957 CC1=CC(=NC2=NC(=NN12)SCCCC(=O)C3=CC=C(C=C3)F)C 1 3.899 4 1 -9.46268880870917 2473942 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.147 3 5 0 -13.2415826218109 2473940 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 2.275 1 4 -8.43316037834247 2473928 CC1=CC(=NC2=CC=CC=C12)SCC(=O)NCCN3C(=O)CSC3=O 1 2.713 3 3 -17.7090467083805 2473907 CCOC(=O)C1=CC(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)C4=CC=C(C=C4)F 1 4.099 3 4 0 -6.14285707819792 2473906 CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 2.863 4 3 0 -10.5245427962795 2473891 C1CCC(CC1)(CNC(=O)C2=CC3=CC=CC=C3O2)N4CCOCC4 1 3.173 2 3 -5.38158448239146 2473868 CN(C)CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC=C2F 1 1.87 3 3 0 -9.87601110180622 2473856 C1=C(C=C(C=C1F)F)C(=O)NCCNC(=O)C2=CC(=CC(=C2)F)F 1 2.716 2 2 -6.11575712604372 2473851 CC1=C(C=C(C=C1OC)C(=O)NCCNC(=O)C2=CC(=C(C(=C2)OC)C)OC)OC 1 2.801 2 6 0 -8.47633647993151 2473845 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl 1 1.457 4 6 0 -14.4958217174587 2473844 CC1=C(OC2=C1C=CC=C2Cl)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C 1 3.055 2 5 0 1.81859939760313e-002 2473843 C1CCC(CC1)(CNC(=O)CC2=C(C=C(C=C2)Cl)Cl)N3CCOCC3 1 3.942 2 2 -9.41639025280606 2473828 CC(C)(C)C1=NN(C(=C1)NC(=O)C2=C(C=CC=C2Cl)F)C3=CC=CC=C3 1 5.664 3 1 -7.81571890058908 2473804 COC1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl 1 3.279 1 4 -12.145149741931 2473800 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.131 2 2 -0.66959261917226 2473799 CC1=C(SC=C1)C(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C 1 5.234 3 1 -8.11188925140363 2473786 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)C(=O)C 1 4.029 1 4 -4.33879169618586 2473781 CN(CCC#N)C(=S)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 1.231 4 4 0 -27.8359604758426 2473776 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NCC=C 1 1.304 3 5 0 -20.6568780513624 2473760 CCCN(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C(=O)/C=C/C2=CC=CO2 1 3.944 2 3 -8.00198059970995 2473752 CSC1=CC=CC=C1C(=O)NC2=NC3=CC=CC=C3N2 1 3.213 3 1 -7.46330380199601 2473743 COC1=CC=CC=C1NC(=O)CN(CC2=CC=CO2)C(=O)C3=CC4=CC=CC=C4O3 1 3.224 2 5 0 -8.68087143405198 2473731 CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)N 1 2.694 3 3 -15.4211796487872 2473716 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3C=C(C=CC3=O)C(F)(F)F 1 5.9e-002 5 4 0 -7.69351186280457 2473696 CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=CO2)C3=CC=CC=C3 1 4.189 3 2 -5.5356148407939 2473672 CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N(C)CC2=CC=CS2 1 2.044 2 5 0 -19.3413042711308 2473638 CCCN1C2=C(C(=CC(=N2)C3=CC=CO3)C(=O)OCC)C(=O)N(C1=O)CCC 1 3.656 3 5 0 -8.61987327567004 2473636 C1=CSC(=C1C(=O)N)NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 0.524 3 7 0 -10.7847437640704 2473635 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N 1 0.84 3 7 0 -16.4105004514821 2473481 C1=CC(=C(C=C1C2=CSC(=N2)NC(=O)CSC3=NC=NC4=C3C=NN4)F)F 1 2.966 6 1 0 -4.10052267154633 2473478 CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C4=CC=CC=C4F 1 2.016 6 0 5.5821139339286 2473475 CN1C2=C(C=N1)C(=NC=N2)NC3=CC(=CC(=C3)Cl)Cl 1 2.88 5 0 4.99382834138955 2473456 CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=CC(=C(C=C2)OC(F)F)OC 1 2.573 2 6 0 -13.0621135473715 2473441 C1CN(CCN1C=O)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O 1 0.379 2 5 0 -18.0027100540319 2473431 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=C(C=C2)OC(F)F)N 1 1.047 3 6 0 -14.3904349682688 2473406 C1=CC=C(C=C1)COC2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl 1 4.179 1 5 -5.09657170134677 2473394 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)C 1 2.638 3 1 -12.2474576405242 2473366 COCCNC(=O)NC(=O)COC(=O)C1=CC2=C(C=C1)NC3=C2CCCC3 1 2.07 3 5 0 -11.5288733270434 2473345 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F)N 1 1.652 3 5 0 -9.07579092018968 2473336 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)N 1 0.484 4 7 0 -30.1704711902368 2473333 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)C 1 1.05 3 6 0 -17.4159431276342 2473330 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)COC2=CC=CC=C2Cl)N 1 0.742 3 6 0 -17.6726728557005 2473313 CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)C4=C(N(C(=O)N(C4=O)C)C)N)SC5=C3CCCC5 1 4.026 5 4 0 -33.6312900309002 2473303 C1=CC=C2C(=C1)C=CC=C2NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl 1 4.184 1 4 -0.549198613689233 2473301 C1CN(CCC1C(=O)N)S(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 5.1e-002 2 5 0 -16.1641060715688 2473296 CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 1.758 3 6 0 -16.2774454781606 2473255 C1=CC=C(C=C1)CNC(=O)C2=CN(N=C2C3=CC=CC=C3)CCC#N 1 3.197 4 1 -10.0137246788894 2473254 C1=CSC(=C1)C2=NN(C=C2C(=O)O)CCC#N 1 1.988 3 2 0 -6.98938326359943 2473238 COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CC=C3)CCC#N 1 3.173 4 2 -5.90898842605047 2473234 C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)F)CCC#N 1 3.395 4 1 -4.78414519144109 2473216 C1=CC(=CC=C1C2=NN(C=C2/C=C/C(=O)O)CCC#N)F 1 2.708 3 2 2.25099025065194 2473181 C1=CC=C(C(=C1)S(=O)(=O)NCCC(=O)O)Br 1 1.219 1 4 0 -11.4896840538641 2473167 C1=CC(=CC=C1[N+](=O)[O-])SCC2=CC(=O)N3C=CSC3=N2 1 2.131 3 3 -12.5049017999565 2473120 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CN4)C 1 3.361 4 1 0.886263802428788 2473066 CNC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC=CC=N3 1 1.511 5 2 0 -14.4649041686328 2473040 COC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CS4 1 4.397 3 1 3.80473646624191 2473026 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 1.749 2 5 0 -26.9443234852348 2472971 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C3=CC=CC=C3)N 1 1.6 4 7 0 -24.0000986431186 2472948 CC(C)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3 1 2.502 3 4 0 -25.0181242678807 2472907 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=NN3C(=CC=NC3=N2)C)C)C 1 1.325 5 5 0 -16.3859587086277 2472904 C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=CC=CC=C3OCC(=O)NC4=CC5=CC=CC=C5C=C4 1 4.989 3 3 -1.53465201245237 2472898 CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC(F)F 1 4.875 1 2 -1.40695508065943 2472886 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC 1 1.808 2 8 0 -13.2444671891519 2472834 CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 1.343 6 3 0 -18.2067559081544 2472824 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.331 2 6 0 -13.7321152335743 2472816 C1=CC=C(C=C1)CC2=CC=CC=C2OCC(=O)OCC(=O)NC3=C(N=CC=C3)Cl 1 3.854 2 4 -10.2769944028549 2472808 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC(=O)C(C)C 1 3.365 2 6 0 -22.3494389130399 2472782 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CN4 1 3.539 4 1 -0.517994292049946 2472773 CC(C)N(CC1=CC=CC=C1)C(=O)COC2=CC=CC=C2NC(=O)C 1 2.509 2 3 -14.5449426355907 2472728 CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC(=O)C3=CC=CN3C)C 1 2.924 4 2 -12.7551440857473 2472719 C1COCCN1C(=O)CSC2=NN=C(S2)NCC3=CC=CC=C3 1 1.26 4 2 0 -18.5956741091755 2472709 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 1.285 3 5 0 -16.1115469336534 2472692 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)C2=CC=CN2C 1 1.281 3 6 0 -15.8928581734629 2472660 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)N(CC(C)C)CC(C)C)C 1 2.412 5 3 0 -19.6651891440115 2472656 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CNS(=O)(=O)/C=C/C3=CC=CC=C3 1 3.8e-002 3 6 0 -11.974707229755 2472632 CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-] 1 5.734 3 6 0 -12.8768448019023 2472630 CC1=C(N=C(N=C1C)SCC(=O)NC(=O)NCCOC)C 1 0.874 4 3 0 -14.6898483108736 2472603 CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CN2C=NN=N2 1 1.16 5 2 0 -17.5610108971122 2472581 C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-] 1 3.207 2 5 0 -2.59216246422715 2472561 COC1=C(C=C(C=C1)CNC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)OC 1 2.882 2 4 -21.3568639644057 2472556 CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)CC2=CC=CS2 1 3.197 2 2 -11.5930425880638 2472525 CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NCC2=CC=CC=C2 1 3.341 2 3 -21.7745177964438 2472510 CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2)Cl 1 3.151 2 5 0 -15.6783931369067 2472504 CN1C(=NN=C1SCC(=O)C2=CC=CS2)CC3=CC=CC=C3 1 3.652 3 1 -13.4462943068097 2472445 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)OC(F)F)C 1 4.63 3 5 0 -9.4965223138121 2472432 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C 1 3.357 2 5 0 -14.1265948452014 2472422 C1CN(CCN1CC(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(S3)Cl 1 2.457 3 3 -15.6982994965387 2472415 COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 4.044 1 4 -10.4225061088553 2472406 C1=CC(=CC=C1CCNC(=O)CSCC(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)N 1 1.765 3 4 0 -15.7570340439688 2472354 COC1=CC=CC=C1NC(=O)CN(CC2=CC=CO2)C(=O)C3=CNC(=O)C=C3 1 0.435 3 5 0 -18.8689525830098 2472353 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 3.346 1 5 -13.5752139853237 2472340 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N(C)CCOC3=CC=C(C=C3)Cl 1 2.831 2 5 0 -18.4996356010612 2472300 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)NCCC3=CC=CC=C3 1 1.444 5 3 0 -19.4216227727346 2472292 C1CCC(CC1)C(=O)NCC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3 1 3.729 1 5 -9.18870189439886 2472289 CC1=CC(=CC=C1)OCCCC(=O)NC2=NC3=CC=CC=C3N2 1 3.562 3 2 -3.52410116576584 2472287 CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C6=CN=CC=C6 1 6.55 4 2 -8.55368581392131 2472272 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 4.018 2 3 0.418807145495006 2472264 C1CC2=C(C1)SC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.753 2 1 -4.71256601295452 2472225 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C 1 2.62 3 3 -7.9121962499249 2472149 C1=CC2=NN=C(N2C=C1)SCC3=CC(=O)N4C=C(C=CC4=N3)Br 1 1.885 5 1 0 -18.7842546800225 2472137 C1=CNC(=C1)C(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.248 3 3 -6.7709684502178 2472130 CCOC(=O)C1=C(N=C(S1)NC(=O)NC2=CC=C(C=C2)F)C 1 2.503 3 3 -8.77453908978116 2472128 CCOC(=O)C1=C(N=C(S1)NC(=O)NC2=CC=CC=C2F)C 1 2.503 3 3 -11.8685060871891 2472117 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CS3)C(=O)N 1 2.278 4 3 0 -27.3245457038453 2472115 CN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C(=O)N)C3=CC=NC=C3 1 0.682 6 2 0 -14.8459582658559 2472113 CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NC3=C(C=CS3)C(=O)N 1 2.877 4 3 0 -29.625224544683 2472109 CC1=CC(=NC2=NC(=NN12)SCC(=O)N(C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N)C 1 1.143 8 3 0 -16.792453509408 2472087 C1COCCN1C2=CC=C(C=C2)C3=NN(C(=C3)C(=O)O)C4=CC=CC=C4Cl 1 4.438 3 3 0.544726995601692 2472081 CC1=C(C(=NO1)C)C(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3 1 2.609 3 3 -17.7405316841052 2472065 CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)COC(=O)C3=CC=CNC3=O 1 2.12 2 4 -13.9699194723232 2471983 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CS4 1 4.207 3 0 4.68055137582657 2471942 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 2.549 2 6 0 -13.7067838866747 2471943 CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)C3=NC=CC=N3 1 2.511 4 2 -1.70221900427038 2471971 CC1=CC=C(C=C1)NC(=S)NCCC2=CCCCC2 1 5.326 2 0 -10.9315733120275 2471954 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)Br 1 1.79 3 3 0 -17.699092834313 2471922 CC1=CC(=NO1)NC(=O)CN(C)CC(=O)NC2=C(C=CC(=C2)Cl)OC 1 1.379 4 4 0 -14.9480734041124 2471919 CC1=NC2=CC=CC=C2C(=C1)C(=O)NCCCN(C)C 1 1.708 3 1 0 -8.05597886622805 2471806 CCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2 1 1.434 2 3 0 -19.4329965796572 2471805 CN1CCC(CC1)N(C)S(=O)(=O)C2=C(C=C(C=C2)F)F 1 1.468 2 2 0 2.09115436223928 2471797 COC1=NC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl 1 2.559 2 3 -4.35800303796296 2471792 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CN=C(C=C2)OC)C 1 3.148 2 3 -2.66153598420959 2471744 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 0.887 3 6 0 -22.5331721549758 2471723 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=NNC(=C2)C)Cl 1 2.222 4 3 0 -15.1397977590019 2471692 CC(=O)NC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC=CC=C2Br 1 1.461 4 3 0 -9.91368968693312 2471690 CC1=CC=CC=C1NC2=NC(=CS2)CSC3=NN=NN3C4=CC=CC=C4 1 3.995 6 0 -10.2817054439572 2471686 CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.27 4 4 0 -10.705957423967 2471669 C1CN(CC2=CC=CC=C21)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 2.736 3 3 -21.4613858904059 2471648 CC1=NN=C(S1)SCC(=O)NC2=C(C=CS2)C(=O)N 1 0.531 4 2 0 -20.3674697488525 2471624 C1CN(CC2=CC=CC=C21)CC(=O)NCC(=O)NC3=CC=C(C=C3)F 1 1.88 3 2 0 -14.1568338585969 2471591 C1CN(CCC1C(=O)N)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F 1 1.252 4 2 0 0.543740707207978 2471580 CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)NC(=S)NC)C)NC(=S)NC 1 7.596 4 0 -5.71823939101134 2471579 CC1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F)OC)C4=CC=C(C=C4)OC 1 4.497 3 5 0 -12.5393937644928 2471570 C1CN(CCN1C(=O)CC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=C(C(=CC=C4)Cl)Cl 1 2.977 2 5 0 -20.4241673381597 2471521 C1CCC(C1)(C#N)NC(=O)CN2CCC3=CC=CC=C3C2 1 2.24 3 1 -9.86568168296699 2471499 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=CS3 1 1.181 4 3 0 -26.7013927887259 2471497 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NN=C(N2C)C(F)(F)F 1 2.22 5 2 0 -17.3918077112436 2471495 C1CN(CCN1C2=CC=C(C=C2)O)S(=O)(=O)C3=CC=CS3 1 2.12 2 3 -7.4477558254022 2471486 C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NC=CC(=O)N3 1 2.003 3 2 -6.73706080273821 2471485 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)Cl)/C=C/C(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 4.625 4 3 0 5.96217493403414 2471458 CC(C)(C)NC(=O)CSC1=NN=C(S1)SCC(=O)NC(C)(C)C 1 1.911 4 2 0 -18.7928170962885 2471455 COC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.19 2 5 0 -9.82027685075628 2471449 CCN(C1CCCCC1)C(=O)NC2=C(N=C(C(=C2)C(=O)OCC)C)C 1 2.978 3 3 -8.32013997485477 2471432 C1CCC(C1)(C#N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F 1 1.371 4 3 0 -19.3654743087714 2471413 CCC1=CC=C(C=C1)C(=O)CN2C(=O)C(=C(C=N2)Cl)Cl 1 2.836 2 2 2.47885964144063 2471404 CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)OC)Cl)Cl 1 3.318 1 3 -4.70709467924813 2471384 C=CCN1C(=O)C2=C(N=C1SCC3=NC(=O)C4=CC=CC=C4N3)SC5=C2CCCC5 1 4.538 4 2 -31.2467086620259 2471366 CCN(C1CCCCC1)C(=O)CSC2=C(C=CC=N2)C(=O)O 1 2.862 2 3 -14.9480866852726 2471358 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=NO2 1 1.327 2 4 0 -7.01201223193714 2471346 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=C(C=C3)Cl 1 1.568 5 4 0 -15.8468436354064 2471343 C/C=C/C1=CC(=C(C=C1)OCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)OC 1 3.642 1 5 -15.4690566193886 2471337 COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC=C3Br)CCC#N)[N+](=O)[O-] 1 3.816 5 4 0 -11.602773994925 2471335 CCN(CC)C(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCO3)CCC#N 1 2.303 4 3 0 -11.1781323709415 2471334 CCN(CC)C(=O)C1=CN(N=C1C2=CC=C(C=C2)F)CCC#N 1 2.722 4 1 -7.60788118383773 2471330 C1=CSC(=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)O)CCC#N 1 2.773 4 3 0 -10.7176250016928 2471328 C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C(=O)NC4=CC=CC=C4Br)CCC#N 1 3.724 4 3 0 -9.26981120035881 2471321 C1=CC(=CC(=C1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)CCC#N)C(=O)O 1 3.484 4 3 0 -5.10522953140581 2471296 COC1=CC=C(C=C1)NC2=NC(=C(S2)C=O)Cl 1 2.648 2 2 1.57265112154521 2471294 C=CCN1C(=O)C2=C(C=C(S2)C3=CC=CC=C3)NC1=S 1 4.522 2 1 -7.66477520916458 2471261 CC1=CC(=CC=C1)S(=O)(=O)NN=C2N(C3=CC=CC=C3S2)C 1 3.387 3 2 -3.7779910686563 2471232 CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2CCCCCC2=O)C 1 2.063 2 4 -18.9157910872937 2471206 CCOC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2)OCO3 1 2.103 2 4 -11.368096981104 2471203 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=C(N=C3)Cl)Cl 1 2.77 2 3 -6.37956659743845 2471183 C1=CC(=CC=C1/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)C3=NC=CN=C3)OC(F)F 1 1.937 4 4 0 -11.1371954284451 2471181 CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CSC(=N2)C3=CC(=CC=C3)F)C 1 4.343 2 3 -3.86786233899127 2471104 C1COCCN1C(=O)CN2C3=CC=CC=C3OC2=O 1 0.499 2 4 0 -8.43858628346118 2471096 CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CSC(=N2)C3=CC=C(C=C3)Cl)C 1 4.802 2 3 -3.9787931494989 2471059 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NN=CC3=CC=NC=C3)C 1 2.7 4 1 -7.70002914255836 2471051 CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=CC=C(C=C3)F 1 4.272 1 1 2.82338719847295 2471046 COC1=CC=C(C=C1)CNC(=O)CCCSC2=CC=CC=C2 1 3.568 1 2 -12.3065350053324 2471024 CS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC=CO3 1 2.481 2 6 0 -15.6353508409694 2470999 C1COCCN1NC(=O)C2=CC(=C(C=C2)Cl)Cl 1 1.768 2 2 0 -6.41126287374142 2470993 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NCCC3=CC=C(C=C3)OC 1 2.643 3 3 -9.52435141561084 2470928 CN1C(=NN=N1)SCC2=NN=C(O2)C3=CC=C(C=C3)F 1 1.505 6 1 0 -12.6687699046701 2470910 CCCCNC(=S)NN(C1=CC=CC=C1)C2=CC=CC=C2 1 5.296 3 0 -11.3944703802063 2470909 CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 5.389 3 1 -4.72497485666072 2470878 CN1CCN(CC1)C2=NC(=CS2)C3=CC4=CC=CC=C4O3 1 2.868 3 1 10.5862612065383 2470819 CC1=CC(=CC=C1)OC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)C(=O)O 1 4.48 1 5 -1.84172073876361 2470803 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC)C 1 3.327 2 7 0 -18.3266646012129 2470797 CN(C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3 1 4.123 1 5 -7.35901487077441 2470751 COC1=C(C=CC(=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)OC(F)F 1 2.897 2 6 0 -14.5560349947414 2470674 CN(C)CCCN1C(=O)C2=CC=CC=C2NC1=S 1 2.343 3 1 -3.58304830444816 2470756 C1=CC(=NC=C1Cl)NC(=O)CSC2=NN=CS2 1 1.534 4 1 0 -10.8079056875847 2470729 CC1=CC(=C(C=C1)NC2=NC(=O)/C(=C\C3=CSC=C3)/S2)C 1 4.413 2 1 -5.09041199651631 2470726 CC1=CC(=NO1)NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC 1 1.626 3 6 0 -23.7007743737308 2470668 C1=CC=C(C=C1)SCC(=O)NC(=O)N 1 1.005 2 2 0 -5.87647136655449 2470623 CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)CN4C(=O)C(=O)N(C4=O)C 1 0.557 4 7 0 -25.9553995422412 2470591 CCCN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)NCC4=CC=CO4)C(=O)N(C1=O)C 1 2.228 5 4 0 -22.9903828974674 2470580 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)N2CCCC2)OCC#N 1 1.577 2 5 0 -15.6932333074614 2470561 C1CC1C2=NNC(=S)N2CC3=CC=CO3 1 1.96 3 1 0 -5.38930221723003 2470552 C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC3=CC=C(C=C3)S(=O)(=O)N 1 2.752 3 3 -8.5169870262492 2470551 CCCNS(=O)(=O)/C=C/C1=CC=CC=C1 1 1.555 1 2 0 1.40619884498428 2470509 CC1=CC=CC2=CN=CC(=C12)OCC3=NN=C(N3C)SC(F)F 1 3.309 4 1 -4.14267333718007 2470497 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)OC 1 2.588 5 4 0 -13.2153335476979 2470424 COC1=CC=CC=C1C(=O)NCCC(=O)NC2=CN=CC=C2 1 0.755 3 3 0 -15.0597712328739 2470387 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC24CCCC4 1 3.465 2 2 -3.72712193066944 2470377 C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CS3 1 2.661 2 3 -15.2086092998222 2470333 CCN(CC)CCN1C(=O)/C(=C\C2=CC(=C(C=C2)Cl)[N+](=O)[O-])/SC1=NC3=CC=C(C=C3)OC 1 5.364 4 4 0 -5.91182024511357 2470331 CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC=CNC2=O 1 0.338 2 4 0 -12.9390602981481 2470315 C1CN(CCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(S4)Cl 1 0.878 3 6 0 -21.3797550111545 2470289 C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl 1 3.836 2 2 -8.51861472132013 2470285 CC1CCC2(CC1)NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC 1 4.173 2 2 -4.9988208544308 2470267 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=CC=C(C=C3)F 1 2.948 4 3 0 -12.5779749707925 2470253 COC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 1.136 5 5 0 -21.4496112397614 2470238 C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)NC3=CC(=CC=C3)Br 1 2.191 2 4 -11.6606182022612 2470226 CS(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NC3=CC=CC(=C3)C#N 1 -0.702 5 4 0 -9.97329409698978 2470212 CCC(=O)NC1=CC=C(C=C1)C(=O)CN2C(=O)C(=C(C=N2)Cl)Cl 1 1.681 3 3 0 -1.38726517180007 2470203 C1CN(CCN1C(=O)C2=CC(=O)NC3=CC=CC=C32)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 2.119 3 4 0 -22.2507623408409 2470199 C1CN(CCN1C(=O)C2=NC=CN=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 0.863 4 3 0 -20.8130603744819 2470192 CCOC1=C(C=CC=N1)C(=O)NC2=CC=CC(=C2)C3=NN=C4N3CCCCC4 1 3.259 5 2 0 -11.3762166097065 2470181 CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)N(C)C)C4=CC=CC=C4 1 3.608 4 3 0 -10.469173537522 2470173 C1=CC=C(C=C1)CC(=O)NCC(=O)NC2=CC(=CC=C2)Br 1 2.457 2 2 -10.1607670345259 2470172 CC(C)(C)NC(=O)NC(=O)COC(=O)/C=C/C1=CC(=C(C=C1)OCC#N)OC 1 1.622 3 6 0 -20.2650389069688 2470137 CC1=NN=C(S1)NC(=O)C2CCCC2 1 1.355 3 1 0 -6.68579766247352 2470124 COC1=CC=CC=C1OCCNC(=O)CC2=CC(=C(C=C2)Cl)Cl 1 4.017 1 3 -9.90526442495403 2470118 C1CN(CCN1C(=O)CC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F 1 2.591 2 5 0 -21.0217700707773 2470086 C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)NC3=CN=CC=C3 1 -0.267 4 3 0 -3.60625802744644 2470083 CC1=C(C=C(C=C1)C(=O)NC2=CN=CC=C2)NC(=O)C3=CC=CO3 1 2.13 3 3 -9.28719899064292 2470069 CC1=C(C(=NO1)C)CSC2=NN=C(O2)C3=CC=CC=C3 1 2.678 3 2 -12.1055411832823 2470048 CC1=CC(=NN1C2=NC(=C(C=C2)Cl)C(=O)OCC(=O)N)C 1 1.675 4 3 0 -11.4037665911762 2470039 CC1=C(C2=CC=CC=C2N1)C(=O)CN3C4=CC=CC=C4OC3=O 1 3.241 2 3 -0.546808586899133 2470035 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)CNC(=O)C3=CC(=CC(=C3)OC)OC 1 2.324 2 7 0 -20.047842439855 2469995 CC(C)(C)C1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 3.471 2 4 -5.97346587122222 2469988 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C1=CC=C(C(=C1)C(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)F)Cl 1 3.418 3 2 -9.92870168152208 2469541 CC1=C(C=C2C(=C1)OC=C2CC(=O)NCC3=CC=CS3)C(C)C 1 4.38 1 2 -12.0687652582796 2469519 CCOCCCNC(=O)/C(=C/C1=CC=C(O1)[N+](=O)[O-])/C#N 1 1.039 3 5 0 -19.5955280926607 2469491 C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NN=C(S4)N 1 2.461 5 1 -7.98119652735798 2469439 CC(C)NC(=O)CN1C2=CC=CC=C2N=CC1=O 1 0.747 3 2 0 -13.1600007122702 2469472 C1=CC=C(C(=C1)NC(=O)COC2=CC=C(C=C2)N3C=NN=N3)OC(F)F 1 2.142 5 3 0 -17.9544302344151 2469453 CC1=NC2=CC=CC=C2N=C1OCC(=O)NC3=CC(=CC=C3)OC 1 2.719 3 3 -5.03741605348056 2469450 CC1=NC2=CC=CC=C2N=C1OCC(=O)NC3=CC=CC=C3 1 2.735 3 2 -5.27987109652011 2469443 C1=COC(=C1)/C=C/C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 3.288 2 4 -3.28043329523736 2469403 COC1=CC=CC(=C1OC)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.263 2 5 0 -19.6203429831645 2469400 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 2.049 3 7 0 -13.7686022577423 2469397 CN1C(=O)C=CC(=N1)C(=O)NC2=CC=CC=C2N3CCOCC3 1 0.76 4 3 0 -8.44799435404711 2469389 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-] 1 0.486 5 6 0 -19.1344433697024 2469388 C1=CC=C(C(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NN=C(S4)SCC5=CC=C(C=C5)F)Cl 1 5.234 4 3 0 -20.5896244611749 2469376 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CN4 1 2.128 4 2 -5.65222082059436 2469351 COC1=C(C=C2CN(CCC2=C1)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])OC 1 3.231 2 5 0 -13.0797155652323 2469347 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=C(C4=CC=CC=C4O3)C 1 4.21 2 5 0 -2.08512622689726 2469334 C1COCCN1C2=NC3=CC=CC=C3N=C2OCC4=CC=C(C=C4)[N+](=O)[O-] 1 3.063 4 4 0 -1.43268446876706 2469310 C1=CSC(=C1)/C=C\2/C(=O)N(C(=O)S2)CCC(=O)NC3=NC=CS3 1 1.983 3 3 0 -11.7187209695292 2469262 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4 1 2.046 3 3 -17.072136995458 2469249 C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)C2=C(C=C(C=C2)O)O 1 0.331 2 7 0 -17.5699166205468 2469237 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5.73802825933143 2467468 C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CN=CC=C4)N5CCNC(=O)C5 1 2.544 5 1 -13.7483477193193 2467459 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)N2CCCC2=O 1 0.747 2 5 0 -17.6534652787025 2467455 CCOC(=O)C1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)OC)Cl 1 2.28 2 4 -8.45302147372043 2467399 CC(C)[C@@H](C(=O)OCC1=CC(=O)N2C3=CC=CC=C3SC2=N1)NC(=O)C4=CC=CO4 1 3.434 3 5 0 -20.4128626293235 2467378 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC(=O)NC(C)C 1 0.972 3 5 0 -19.355263728377 2467367 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O 1 2.702 3 3 -0.140994600919214 2467360 C1=CSC(=C1)CNC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)OC(F)F 1 3.401 3 3 -15.031937509931 2467342 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC=C2C(=O)CC(CC2=O)(C)C 1 2.996 1 6 0 -21.3132657255634 2467328 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC=C2C(=O)CC(CC2=O)(C)C 1 2.532 1 5 -18.8624143990121 2467310 CC1=CC=C(S1)C(=O)NCC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.814 4 6 0 -14.7240297710597 2467277 CC1=C(SC2=NC(=NC(=C12)NCC3=CC=NC=C3)CN4CCCC4)C 1 2.947 5 0 -1.72650043683678 2467256 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C2=CC=CC=C2)C3=CC=CC=C3 1 3.101 2 3 -8.32688038548982 2467229 CC1=CC=CC=C1S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCCO 1 2.143 4 3 0 -5.35171070739376 2467223 CCC(=O)C1=C(CC(CC1=O)(C)C)N2CCCC2 1 2.203 1 2 -12.4634197430738 2467184 CC(C)NC(=O)CSCC1=C(C=CC=C1Cl)Cl 1 3.493 1 1 -16.9377682326195 2467179 COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C 1 2.608 2 5 0 -24.984379159937 2467173 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)N 1 1.304 7 3 0 -18.1807716799688 2467170 COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)CCCC3)S(=O)(=O)N4CCCC5=CC=CC=C54 1 4.21 3 4 0 -23.117447876852 2467168 C1CCC2=C(C1)N=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5 1 3.941 4 2 -10.8899925253489 2467166 C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54 1 4.226 3 3 -22.2131166199831 2467162 C1CN(CCN1CC2=CC(=O)N3C=CSC3=N2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 1.677 4 3 0 -21.8584778676381 2467159 CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC 1 3.938 3 3 6.32746666507022 2467154 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC(=O)OCC3=CC=C(C=C3)Br 1 4.595 1 3 -6.35089458433622 2467135 CC1=C(OC2=CC=CC=C12)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.938 2 3 7.04880000828906 2467109 CC(C)[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3CCCC3 1 3.663 3 1 -1.20774561416964 2467100 CC1=CSC(=N1)NC(=O)C2=CN3C=CC=CC3=N2 1 1.063 4 1 0 -9.20788693347652 2467092 COC1=CC=CC=C1C(=O)NCC(=O)NC2=CN=CC=C2 1 0.507 3 3 0 -13.6669009521089 2467064 C1=CC=C(C(=C1)OCC(=O)NC2=NC(=CS2)C3=CC=CS3)Cl 1 4.011 2 2 -2.86565073696105 2466994 CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN2CCOCC2 1 0.62 3 5 0 -21.4268579758694 2466983 C1CCC(CC1)C(=O)N(CCO)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 1.175 4 4 0 -4.64352237778326 2490485 CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)OC)O 1 3.263 2 5 0 -4.35504630491424 2490431 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)C3=CNC4=CC=CC=C43 1 2.029 5 3 0 -12.0047713661328 2490436 CC(C)[C@@H](C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=CC=C3 1 2.179 2 7 0 -23.8091493504201 2490478 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CCl)N 1 0.595 3 3 0 -11.7769454184324 2490470 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)NN4C=NN=C4 1 3.114 5 1 -4.37738442962359 2490398 C1=CC(=C(C=C1Cl)Cl)CCNC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 3.446 2 2 -9.83623071475542 2490376 CC1=CN=C(S1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 1.729 3 2 0 -13.3575496503195 2490338 CC(C)(C)NC(=O)NC(=O)COC(=O)CCC1CCCC1 1 2.164 2 4 -16.5872251218808 2490334 C1COCCN1C(=O)COC(=O)C2=CC(=CC=C2)F 1 0.844 1 4 0 -11.3932324418858 2490286 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=CC=CC=N2 1 2.834 2 1 -7.08593147545841 2490261 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNS(=O)(=O)C3=C(C(=CC(=C3C)C)C)C)C 1 3.85 4 3 0 -8.7599941251863 2490254 COCCNC(=O)/C(=C/C1=CC(=CC=C1)OCC2=CC=CC=C2)/C#N 1 2.781 2 3 -16.4322825697377 2490216 C(CSC1=NN=C(S1)SCC(=O)NCC(F)(F)F)C(=O)O 1 1.726 3 3 0 -24.7571419789049 2490212 CC1=CC(=CC=C1)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.052 4 3 0 -12.7968720840815 2490206 CCCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C 1 4.72 3 3 -19.8195636634147 2490169 C1COCCN1C2=NC3=CC=CC=C3N=C2OCC4=CC=CC=C4C#N 1 3.048 4 2 -2.38368515308777 2490141 C1=CSC2=NC(=CC(=O)N21)CNC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 3.388 3 1 -9.0309729795752 2490138 C1=CC(=C(C=C1Cl)NCC2=CC(=O)N3C=CSC3=N2)Cl 1 2.832 3 1 -8.1247538286304 2490118 COC(=O)C1=CC=C(O1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4 1 3.914 2 5 0 -19.6225446541712 2490068 COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N 1 3.068 5 4 0 -7.98296087628479 2490059 C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N 1 2.631 5 3 0 -9.02762185047198 2490054 CCC1=CC(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C(=O)OCC 1 4.441 3 5 0 -27.3373066903145 2490105 CC1=CC=C(C=C1)OCCNC2=NC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.251 3 3 -14.5336062675477 2490092 CC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2 1 2.954 4 2 -21.074449864654 2490091 CCN(CC1=CC=NC=C1)CC2=C(C=CC3=C2C=CC(=C3)Br)O 1 4.1 2 1 10.0184744027058 2490089 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC#N 1 1.698 2 4 0 -15.2513956021882 2490009 CC(C)N(CC1=CC=CC=C1)C(=S)NCC2=CC=CC=C2 1 5.086 2 0 -9.2306227003158 2490021 COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=CC=CC=C4O3)CCC#N 1 3.768 4 3 0 -1.10829296888639 2490046 C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])CCC#N 1 2.631 5 3 0 -8.5735307712797 2490040 CC1=CC(=C(C=C1NC(C2=CC=CC=C2)C3=CC=CC=C3)OC)OC 1 5.287 1 2 -6.65162339431626 2466937 CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCCC4=CC=CC=C43)C5=CN=CC=C5 1 4.54 5 2 0 -17.6498530277391 2466927 CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 1.393 5 5 0 -21.2901306191435 2466857 C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 1.908 3 7 0 -11.8002846177733 2466853 C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)C4=CC=C(C=C4)F 1 3.264 2 3 8.98798629897854 2466845 C1CN(CC(=O)N1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl 1 0.378 4 2 0 -12.0416210575726 2466837 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC(=C(C=C3)OC)OC 1 2.745 2 7 0 -24.9535425899359 2466753 C1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)O)CC3=CC=CC=C3Cl 1 4.772 2 2 1.70178208890593 2466747 CC1=CC=C(C=C1)NC(=O)C(=O)NN 1 9.2e-002 3 2 0 -5.39429064069137 2466736 CC1=C(C(=C(C(=N1)SCC(=O)O)C#N)C2=CC=CO2)C(=O)N(C)C 1 1.73 3 4 0 -13.825333536644 2466731 CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)O 1 2.496 3 2 -3.37329067928896 2466723 CC1=CC(=C(N1C(C)C)C)C=O 1 1.906 1 1 0 -2.48757063556814 2466717 CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 1.77 3 4 0 -12.011365458869 2466703 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F 1 3.717 1 6 0 -12.0463129027438 2466700 C1=CC(=C(C=C1Br)F)NC(=O)COC(=O)CC2=CSC=C2 1 2.972 1 3 -8.99626189076515 2466657 C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 3.208 2 5 0 -13.8225768182608 2466650 C1=CN=CC=C1C2=NC(=NN2)SCC3=CC(=O)N4C=CSC4=N3 1 1.292 6 1 0 -12.7751053857947 2466640 CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CC2=CSC(=N2)C3=CC=CC=C3 1 3.369 2 5 0 -10.1352659819736 2466635 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)F 1 2.127 1 4 -10.3689135013855 2466549 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)COC2=CC=CC=C2C3=CC=CC=C3 1 2.703 3 4 0 -14.0510390832566 2466542 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CN=C(C=C2)Cl 1 2.002 3 3 -12.9009846484902 2466539 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4)C 1 3.136 3 4 0 -13.065096407354 2466538 CCCCCC1=NN=C(S1)NC(=O)C2=NN(C(=O)C=C2)C 1 1.68 5 2 0 -13.9709719706781 2466476 CCOC(=O)C1=C(C2=C(S1)N=C(N=C2Cl)CN3CCOCC3)C 1 2.617 3 3 -10.6732654925322 2466528 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)F 1 2.197 3 6 0 -12.5738312937868 2466503 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)/C=C/C2=CC=CO2 1 2.763 2 3 -11.3362085857601 2466498 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC3=C(C=CC=C3Cl)Cl 1 3.782 2 3 -15.2867220533573 2466494 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CCSC3=CC=CC=C3)C 1 2.771 2 4 -15.3046455324178 2466457 CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)NCCOC 1 -0.378 2 5 0 -18.1564198796155 2466338 COC(=O)C1=CC(=CC=C1)NC2=C3C=CSC3=NC=N2 1 3.056 3 2 -3.04351366086061 2466337 CN(CC1=CC=CC=C1)C2=C3C(=CSC3=NC(=N2)CN4CCOCC4)C5=CC=CC=C5 1 4.564 4 1 -1.24082934059393 2466324 C1=CC(=CC(=C1)F)NC2=C3C=CSC3=NC=N2 1 3.406 3 0 3.96741669714667 2466243 CC1=CC(=NC2=NC(=NN12)C(=O)NC3=NN=C(S3)C4CC4)C 1 1.184 7 1 0 -14.5950774405441 2466262 CC1=CC=C(O1)C(=O)NC2=NC(=CS2)C3=CC=CC=N3 1 2.377 3 2 3.07577884144975 2466285 C1=CC(=CC=C1CNC(=O)C2=NC=CN=C2)S(=O)(=O)N 1 -0.546 4 3 0 -16.3294213921838 2466273 CC1=C(SC=C1)C(=O)NC2=CN=C(C=C2)OC 1 2.426 2 2 -8.51378553780077 2466239 CC1=CC=C(S1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 4.28 1 2 -3.99744462542041 2466236 COC(=O)C1=CC=CC=C1NC(=O)C2=CC3=NC=CN=C3C=C2 1 1.934 3 3 0 -10.5450778897653 2466233 C1=CC=C(C(=C1)C(=O)NCCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)Cl 1 4.193 2 2 -10.0553097443901 2466230 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4 1 0.717 4 5 0 -30.5296430989852 2466214 CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 1.562 3 3 0 -9.11552386839473 2466151 COC(=O)CCCNC(=O)C1=CC=CC=N1 1 0.592 2 3 0 -19.5333633646416 2466150 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CNS(=O)(=O)C2=CC(=CC=C2)Cl)N 1 -0.331 4 7 0 -19.8186242815286 2466118 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O 1 0.127 3 6 0 -15.6747071268909 2466110 CCCCCNCC1=CC=C(C=C1)Cl 1 3.817 1 0 0.984292633326165 2466075 CC(C)(C)NC(=O)NC(=O)CN1CCCCC1 1 1.008 3 2 0 -10.4993156705613 2465977 C1CCN(CC1)CC(=O)NC(=O)NC2CCCC2 1 1.479 3 2 0 -8.08185157236812 2465961 CC1=NSC(=C1C(=O)OC)NC(=O)OC2=CC=CC=C2 1 2.445 2 4 -7.15356117055149 2465947 CN(CC1=CC=C(S1)Cl)C(=O)CCl 1 1.894 1 1 0 -0.305838287133079 2465911 C1COCCN1CC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F 1 2.446 2 4 -9.5682868109729 2465885 C1CCCN(CC1)CC(=O)NCCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=O 1 3.384 3 3 -9.22440852401376 2465861 CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2CCCC2)Br 1 4.264 1 3 -11.8072433337676 2465860 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)/C=C/C3=CC=C(C=C3)Cl 1 2.546 3 4 0 -14.9492259071372 2465842 C1=CC=C2C=C(C=CC2=C1)OCC(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.77 2 6 0 -11.9545529840793 2465824 CC(=O)NC1=CC=C(C=C1)C(=S)NCC2=CC=CO2 1 2.017 2 2 -7.12617213273584 2465819 CCOC(=O)C1CCN(CC1)CC2=CC(=O)N3C(=CSC3=N2)C4=CC=CC=C4 1 2.609 3 3 -8.8597460406472 2465740 C1CN(CCN1C(=O)/C=C/C2=CC=CO2)S(=O)(=O)C3=CC=CS3 1 1.477 2 4 0 -16.9211635220928 2465708 COC1=CC=CC=C1N2C3=NC=C(C=C3C(=C(C2=O)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5O 1 4.781 4 6 0 -5.16306504578657 2465676 CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CN(C)CC4=CC=CC=C4 1 4.21 3 1 0.585678264415972 2465671 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C2CCCCC2 1 3.431 2 1 -8.29948905864976 2465668 CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)/C=C/C2=CC=CO2 1 2.053 4 4 0 -11.2166489348783 2465650 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC4=C(C=C3)OCO4 1 1.864 1 7 0 -16.4438985527823 2465649 CCOC1=C(C=C(C=C1)CN(C)C(=O)C2=C(N=CC=C2)OCC)OC 1 2.864 2 4 -13.5028010320292 2465640 CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3 1 3.611 2 4 -12.0891117696558 2465632 CCOC1=C(C=C(C=C1)CN(C)C(=S)NCC2=CC=CC=C2)OC 1 4.676 2 2 -12.267772199954 2465623 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3 1 4.844 2 3 -10.6913505466646 2465614 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)C2=C(N=CC=C2)OCC 1 2.162 3 3 -18.9780724121693 2465601 CCCN1CCN(CC1)C(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3 1 4.082 3 1 2.11389163065045 2465549 CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N(CC)CC)C4=CC=CC=C41 1 4.184 3 5 0 -19.3950098951845 2465528 C1=CC=C(C=C1)CNC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.237 1 4 -20.021441297202 2465522 CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3 1 4.086 1 6 0 -9.85389658840968 2465521 CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CN3CCC(CC3)C(=O)N 1 1.48 3 5 0 -6.70489478010406 2465488 C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)C(=O)N 1 2.981 3 6 0 -17.9398419550929 2465454 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3O)OCO4 1 2.218 2 7 0 -14.7108710695017 2465419 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3O)OCO4 1 2.986 2 5 0 -6.89369592466974 2465409 COC1=CC=CC=C1N2CCN(CC2)CC3=CC4=C(C=C3O)OCO4 1 3.042 2 4 6.08214514989511 2465355 CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=NC=NN3 1 2.843 4 1 -13.1747228587763 2465346 CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)NCC3=CC=C(C=C3)F 1 2.697 4 2 -9.27097743456417 2465339 CC1=NC(=C(C=C1Cl)Cl)NC(=O)CSC2=NN=C3N2C=CC=C3 1 3.324 5 1 -12.8847363662338 2465256 CC1=CC(=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)NC(=O)C)C5=CN=CC=C5)C 1 4.54 5 3 0 -15.3344224671136 2465255 CC1=CC(=C(C=C1)NC(=O)CN(C)CC(=O)NC2=C(C=CC(=C2)Cl)OC)Br 1 3.475 3 3 -5.88148309254733 2465250 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3 1 8.5e-002 6 5 0 -19.51046807228 2465225 CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C 1 3.464 5 3 0 -21.4742603012004 2465224 COC1=CC=CC=C1S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C4N3CCCCC4 1 3.224 4 3 0 -6.74025202061028 2465221 COC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC=C(C=C3)OC(F)F)OC 1 5.479 2 3 -13.2155717394279 2465217 CCCNC(=O)NC(=O)COC1=CC2=C(C=C1)OC3=CC=CC=C32 1 3.029 2 4 -9.97908848869023 2465192 C1=CC=C(C(=C1)S(=O)(=O)NC2=CC=C(C=C2)CC(=O)O)Cl 1 2.646 1 4 -7.45606022301306 2465138 C1CC(CCC1NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)O 1 1.335 2 5 0 -12.4800512184352 2465181 COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=C(C=CC=C3F)F 1 3.825 2 4 -9.50262315606976 2465164 C1=CC=C(C=C1)OCC(=O)NCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 0.543 3 5 0 -18.4420427216823 2465151 C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)CNC3=CC=CC=C3)C4=CC=CC=C4 1 4.517 5 1 1.96781303942011 2465106 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3OC 1 3.591 2 4 -5.85014677661794 2465072 COC(=O)C1CCN(CC1)CC(=O)NC(=O)NC2CCCCC2 1 1.345 3 4 0 -9.51219769403015 2465039 CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)COC3=CC=CC=C3C#N)N 1 2.279 5 5 0 -11.8249706816148 2465038 C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 2.342 5 2 0 0.146744577302261 2465035 C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCC4=CC(=CC=C4)Cl 1 3.98 4 0 6.95354972596234 2465017 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(O4)Br 1 3.73 5 3 0 -23.9558797977828 2465015 CCC1=CC=CC(=C1NC(=O)COC(=O)CC2=CSC=C2)C 1 3.447 1 3 -13.3869519366259 2465012 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NCC2=CC=CC=C2 1 1.445 2 5 0 -22.4051490320453 2464991 C1C(=O)N(C(=O)S1)CCNC(=O)CSC2=NC(=CS2)C3=CC=CC=C3 1 2.445 3 3 -21.9205615698252 2464985 CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3C4CCCCC4)CC5=CC=CS5)C(=O)C 1 5.074 5 2 0 -23.5531915988168 2464983 C1=CC=C(C(=C1)C2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC(=O)N)Br 1 4.529 4 1 -5.25872093844153 2464939 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCC5=CC=CC=C5C4 1 3.18 5 3 0 -11.0413942022507 2464940 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.116 2 7 0 -29.9950463896242 2464973 CC(=O)NC1=CC=C(C=C1)SCC(=O)C2=C(N(C(=O)N(C2=O)C)CC3=CC=CC=C3)N 1 1.632 4 4 0 -10.8061445499626 2464971 CCCN(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)C(=O)C 1 5.244 2 1 -14.3145486141455 2464957 CN(CC(=O)NC1=CC=C(C=C1)SC(F)F)C2CCCCC2 1 4.178 2 1 -8.98049629321185 2464914 COC1=CC(=C(C=C1C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32)OC)OC 1 1.284 2 7 0 -20.1325856123176 2464912 COC1=CC=C(C=C1)CNC(=O)COC(=O)CCC2=CNC3=CC=CC=C32 1 3.096 2 4 -16.3251414200071 2464852 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C 1 3.207 5 3 0 -9.60289487201356 2464842 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CCC3=CNC4=CC=CC=C43 1 2.881 2 5 0 -17.6784720967232 2464815 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC2=NN=C3N2C=CC=C3)N 1 1.763 7 3 0 -23.082484436234 2464811 CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)N 1 1.374 4 3 0 -16.342718740436 2464795 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)COC(=O)C3=CC(=C(C=C3NC(=O)C4=CC=CS4)OC)OC 1 5.019 2 6 0 -18.0716662859847 2464794 CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC(C)C)N 1 2.361 8 3 0 -27.6028852224328 2464775 CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 4.18 3 4 0 -6.9989201019383 2464730 CC1=NC(=C2C(=CSC2=N1)C3=CC=CS3)N4CCC(CC4)C(=O)N 1 2.715 4 1 -4.07534502571415 2464693 CC1=CC(=NC2=CC=CC=C12)SCC3=CC(=O)N4C=CSC4=N3 1 3.448 3 1 -9.77817609594149 2464662 C1CCC(CC1)C(=O)NC(=O)COC(=O)C2=CC=NC=C2 1 1.505 2 4 0 -7.65638517207347 2464660 C1=CC(=C(C(=C1)F)C(=O)OCC(=O)C2=CC=CN2)F 1 2.737 1 3 -7.65319827028609 2464639 C1CN(CC(=O)N1)S(=O)(=O)C2=C(C=C(C=C2)Cl)C(F)(F)F 1 1.432 2 3 0 -14.4874648792418 2464622 C1=CNC(=C1)C(=O)COC(=O)CC2=C(C=C(C=C2)Cl)Cl 1 3.689 1 3 -3.27839316886095 2464615 CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C 1 2.779 4 2 -16.5649990540557 2464572 COCCN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)Br)C3=CC=NC=C3 1 3.7 4 2 -11.743634151853 2464557 COCCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)C4=CC=NC=C4 1 2.676 5 2 0 -10.2719510556491 2464556 C1=CC2=NN=C(N2C=C1)SCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.358 5 3 0 -24.334847617353 2464546 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(O3)C4=CC=CC=C4 1 1.836 6 4 0 -16.3100009036856 2464475 CC1=CC=C(C=C1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3 1 4.692 3 0 -3.13522413953858 2464531 CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)CSC4=NC=NN4 1 1.901 5 4 0 -25.5329054813312 2464530 CC1=CC(=CC=C1)OC2=C3C4=C(CCCC4)SC3=NC(=N2)CN5CCOCC5 1 4.73 3 2 -3.84742493192926 2464509 CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3C)C)C)C 1 5.059 6 2 0 -15.1463054178146 2464503 CC1=CC2=C(C=C1)N=C(N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl 1 4.094 4 1 -1.97326587535151 2464449 C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)NCC3=CC=C(C=C3)F 1 1.921 3 2 0 -14.1388901164827 2464446 C1CCC2(CC1)C(=O)N(C(=O)N2)CCN3C(=O)C4=CC=CC=C4C3=O 1 1.654 3 4 0 -4.64602063109213 2464421 CC1=C(C=C(C=C1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)C 1 5.179 3 0 -3.38313895417869 2464417 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=C(C(=C(C(=C3F)F)F)F)F 1 2.515 3 4 0 -19.9203650941495 2464360 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)C 1 1.843 2 5 0 -14.8323696680773 2464350 CCC1=NC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)N=C1CC 1 3.746 3 3 -10.2402933510439 2464348 CC1=CC=C(O1)C2=CSC(=N2)NC(=O)CC3=CC=C(C=C3)F 1 3.339 2 2 -0.61628408967302 2464330 CC(C)C1=NN=C(N1N)SCC(=O)NCCC2=CCCCC2 1 2.563 5 1 -22.9284134807816 2464322 CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 3.255 3 3 -18.7018456490605 2464308 CCOC1=C(C(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3)Br)OC 1 3.529 2 4 -8.42659869202644 2464300 COC1=C(C(=CC(=C1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)Cl)OC 1 4.865 1 3 -12.382988100693 2464292 CCN1CCC2=C(C1)SC(=N2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.858 3 1 -9.2795922262957 2464271 CCOC1=C(C=CC=N1)C(=O)NC2=NC(=NS2)SC 1 2.268 4 2 -7.60370159587521 2464231 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CO4 1 0.325 5 4 0 -18.385422653485 2464226 CC1=CC=CC(=C1C)C(=O)NC2=NC(=CS2)C 1 2.866 2 1 -4.24182239419649 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CC(=O)NCCC(=O)NC1=NC(=CS1)C2=CC3=CC=CC=C3C=C2 1 2.11 3 2 -2.85431221287595 2462607 CC1=CC=C(O1)C(=O)N(C)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.037 2 3 -6.90034449084019 2462603 C1=CC=C(C(=C1)S(=O)(=O)CCC(=O)NCC2=CC=C(C=C2)F)Cl 1 3.117 1 3 -17.1406545680628 2462599 CC1=C(OC2=CC=CC=C12)C(=O)N(CC3=CC=CC=C3)C4=C(N(C(=O)NC4=O)CCOC)N 1 2.203 4 5 0 -2.10802308498981 2462596 COCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3F)N 1 1.362 4 4 0 -11.3370638110487 2462594 CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2N3C=NN=N3 1 1.994 5 1 0 -20.0197259945232 2462591 CC1=CC=C(C=C1)CNC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)OC 1 3.478 2 3 -19.7997099142773 2462589 C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC(=O)C3=CNC4=CC=CC=C43)O 1 3.901 1 4 -1.40543843589307 2462585 C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC(=O)NC3=C(C=CS3)C#N)O 1 2.653 2 4 -9.88860519968972 2462581 C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5 1 3.984 4 1 -8.55440516775333 2462570 CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C 1 2.323 4 2 -16.4041266054986 2462551 CN(CC1=C(C=CC=C1Cl)F)C(=O)CCC2=CNC3=CC=CC=C32 1 4.481 2 1 -13.2326646891987 2462546 CC(C)(C)C1=CC=CC=C1NC(=S)NCCN(C)C 1 4.051 3 0 -6.0967579735251 2462542 COC1=CC=CC(=C1)C(=O)NCC2(CCCCC2)N3CCCCC3 1 3.792 2 2 -9.49368650334065 2462480 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-])C 1 1.879 3 8 0 -18.7583624323777 2462466 COC1=CC(=C(C=C1)OC)NC2=C3C=C(SC3=NC=N2)C4=CC=CC=C4 1 4.978 3 2 3.77210581368388 2462465 CC1=NN(C(=C1)NC(=O)CSC2=NN=C(N2CCOC)C3=CC=NC=C3)C4=CC=CC=C4 1 2.396 7 2 0 -19.5882844116578 2462458 C1=CC(=O)N(C=C1C(F)(F)F)CC2=CC(=O)N3C=CSC3=N2 1 0.649 3 2 0 -10.8126979419973 2462450 CCC1=CC=CC(=C1NC(=O)COC(=O)C2=NN3C(=CC=NC3=N2)C)C 1 2.545 5 3 0 -18.1908513414735 2462437 COCCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Cl)C3=CC=NC=C3 1 1.816 6 2 0 -15.3702515099313 2462422 C1=CC=C(C=C1)CCNC(=O)/C(=C/C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl)/C#N 1 4.698 3 2 -15.3426946090119 2462418 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)C(=O)OC 1 2.479 2 5 0 -8.49726145123743 2462387 C1=CC=C(C=C1)C2=NN=C(O2)SCC3=NN=C(O3)C4=CC=CS4 1 3.241 4 2 -11.1985906896545 2462377 C1=CC(=CC(=C1)OC(F)F)C(=O)NCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br 1 1.748 3 5 0 -18.5747357067633 2462370 C1CCN(C1)CC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3 1 2.821 2 2 -8.19871760709164 2462366 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)CNC(=O)C3=CC=CO3 1 1.752 2 6 0 -17.2686559498043 2462350 CCOC1=CC=C(C=C1)CN(C)CC(=O)NCC2=CC=CC=C2 1 2.879 2 2 -9.51473349031346 2462331 CN(CC(=O)NCC1=CC=CC=C1Cl)CC(=O)NC2=CC(=CC=C2)F 1 2.469 3 2 -10.5977548398131 2462328 C1COCCN1CCNC(=O)CNC(=O)COC2=CC=CC=C2 1 -0.241 3 4 0 -15.7636925028946 2462314 C1CC1(C2=CC=C(C=C2)Cl)C(=O)NC3=NC=CS3 1 2.818 2 1 -6.04980054133541 2462311 C1CN(CCN1/C=C/C#N)C(=O)C2=CC=CO2 1 0.475 3 2 0 -5.5814698837372 2462310 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCCC4=CC=CC=C43 1 1.666 5 4 0 -16.0245525178772 2462300 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4 1 1.678 5 2 0 -13.3831860241666 2462294 C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CSC4=NN=C(S4)N 1 1.55 4 3 0 -19.1025054174064 2462270 CC1=C(C2=CC=CC=C2N1)C3=CSC(=N3)NC(=O)CSCCO 1 2.275 3 2 -3.99176863013624 2462268 CC1=C(C2=CC=CC=C2N1)C3=CSC(=N3)NC(=O)CN4CCOCC4 1 2.027 4 2 -3.24006408916014 2462253 COC1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4CC4 1 3.447 2 3 -11.850147360701 2462250 C1CN(CCC1CC2=CC=CC=C2)CC(=O)NCCC3=CC=C(C=C3)F 1 4.147 2 1 -3.8231440122558 2462192 C1COCCN1C2=CC=C(C=C2)NC(=O)CN3C=C(C=CC3=O)C(F)(F)F 1 1.27 3 3 0 -7.89582282414658 2462213 CN(CC1=CC=C(C=C1)SC)CC(=O)NCC2=CC=CC=C2 1 3.088 2 1 -6.13042718899148 2462239 COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)OC 1 0.547 3 6 0 -17.2150527295937 2462231 C1CN(CCC1C(=O)O)C(=O)COC2=CC=C(C=C2)Br 1 1.929 1 4 0 -7.73279885509831 2462177 CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NN=C(N2C3=C(C=C(C=C3)C)C)C4=CN=CC=C4)N 1 3.03 7 3 0 -12.792114563672 2462162 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.457 4 3 0 -7.05548246850513 2462156 CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCC(CC3)C(=O)OC)Cl 1 3.411 1 4 -4.86623526216142 2462140 C1=CC=C2C(=C1)N=C(S2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F 1 4.454 3 1 -1.13743928530024 2462124 CC1=C(C(=NO1)C)CSC2=NN=C(O2)C3=CC=C(C=C3)OC 1 2.661 3 3 -12.0439909761113 2462108 C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CN4CCN(CC4)S(=O)(=O)C5=CC6=C(C=C5)OCCO6 1 2.375 4 5 0 -29.776100959093 2462079 C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)C4=CC=CC=C4F 1 3.264 2 3 8.84932062002736 2462073 CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC=CC=C2C#N 1 1.958 4 2 0 -7.78156671977965 2462067 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=C(C=C4CCCC4=C3)O 1 5.498 2 1 10.5538892798445 2462061 CCOC1=C(C=C(C=C1)CN(C)CC(=O)NC2=CC=CC(=C2)C)OC 1 3.342 2 3 -7.64197313451336 2462018 CN(CC1=C(C(=CC=C1)OC)OC)CC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.449 2 3 -0.537609785120094 2462014 CN(CC1=CC(=O)N2C=CSC2=N1)CC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 0.671 5 3 0 -17.5589601467876 2461971 C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CC=C4O 1 2.222 4 2 0.659804973948909 2461966 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F)C 1 1.627 4 3 0 -5.04624620752807 2461965 COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=O)N4C=CSC4=N3 1 1.798 4 2 0 -8.83090295615254 2461963 CC1=C(C=C(C=C1)NC(=O)CN2CCCCCC2)[N+](=O)[O-] 1 2.71 3 3 -7.35507987908806 2461904 CNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 1.697 3 5 0 -22.9740391845804 2461903 CC1=NC2=C(C=CC=C2OCC(=O)N3CCC4=CC=CC=C43)C=C1 1 3.199 2 2 -12.9067924185858 2461874 C1CN(CCN1CC2=CC(=O)N3C=CSC3=N2)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 0.663 5 5 0 -26.3018826609072 2461864 CC1=CSC(=N1)NC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 8.1e-002 4 5 0 -28.4634340956863 2461851 CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCC4=CC(=C(C=C4C3)OC)OC)C 1 4.531 1 4 -10.9752725677578 2461830 CCCCNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N 1 1.443 2 5 0 -22.1373098422727 2461822 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C4(CCCC4)NC3=O 1 0.246 5 4 0 -17.5413605853463 2461811 CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)C(=O)OC 1 2.867 4 4 0 -8.81351681242313 2461800 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5 1 3.447 4 2 -7.31741815884428 2461769 CCN(CC(=O)NC(C)(C)C)C(=O)C1=CC=C(C=C1)Br 1 2.332 2 2 -15.8481425004089 2461765 C1CCCN(CCC1)CC(=O)NC(=O)NC2CCCCC2 1 2.847 3 2 -8.08185157236812 2461704 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=CC=C3Br 1 2.569 4 2 -10.9790322371551 2461701 CC1=C(SC2=NC=NC(=C12)OCC3=NN=C(O3)C4=CC=CS4)C 1 3.295 4 2 -9.27033856517288 2461697 C1=CC=C(C=C1)CC(=O)C2=NN=C(O2)C3=CC=CC=C3 1 2.974 2 2 0.513617578350804 2461646 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C 1 3.55 2 3 -12.4787970608579 2461611 CC(C)CN1C(=C(C(=O)N(C1=O)C)C=O)N 1 -1.6e-002 3 3 0 -9.3535280658084 2461586 CCN(CC)C(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O 1 2.526 2 5 0 -9.68426271409905 2461566 CC1=CC=C(C=C1)C(=O)NC2=CC=C(N(C2=O)C)C(F)(F)F 1 2.029 2 2 -5.26231464747943 2461541 C1CN(CCC1C(=O)NC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5 1 1.839 3 6 0 -15.0247859030143 2461539 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC4=CC=CC=C4C=C3 1 2.03 4 4 0 -4.90352479010944 2461526 CC1=NC(=C2C(=CSC2=N1)C3=CC=CS3)N4CCCCC4 1 4.158 3 0 -4.14596164745608 2461525 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC4=CC=CC=C4O3 1 1.582 5 5 0 -11.4373873299899 2461523 C1=CC2=NN=C(N2C=C1)SCC3=CC=C(C=C3)C#N 1 3.15 4 0 -12.5411898876212 2461510 CCN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC=CO2 1 1.608 2 4 0 -11.0239095514573 2461500 CC(C)(C)OC(=O)CN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 2.24 1 4 -4.66492361262691 2461457 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC3=CC=C(C=C3)C#N 1 2.974 6 1 0 -5.25716071185757 2461450 CCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C3CCCC3)O 1 4.08 3 3 -16.3306709718982 2461446 COC1=CC=C(C=C1)/C=C(\C(=O)O)/SC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 4.239 2 4 2.75082089413463e-002 2461433 C1COCCN1CCCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.294 2 3 0 -5.43558213540355 2461390 CC(C)CNC(=O)CCC1=CNC2=CC=CC=C21 1 3.014 2 1 -15.3181616665572 2461387 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC2CCCCC2 1 3.593 2 3 -18.4929117339128 2461366 CN(CC1=CC=CC=C1OC)C(=O)C2(CC2)C3=CC=C(C=C3)Cl 1 4.018 1 2 -3.41835009069433 2461363 CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)OCC 1 3.528 0 5 -9.70170925784104 2461353 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NN 1 -1.069 5 2 0 -12.0803383066779 2461309 CC1=C(C2=NC(=CC(=O)N2C=C1Cl)CN3CCN(CC3)C4=CC=C(C=C4)F)Cl 1 3.083 4 1 1.64578354911575 2461270 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)F 1 3.456 2 2 -0.337715660556489 2461269 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C4=C(S3)CCCCC4)C#N 1 4.503 3 6 0 -33.368190243713 2461259 COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC(=CC3)C4=CC=CC=C4 1 4.003 1 3 -8.84784387257229 2461257 CCN1C2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C4=CC=CC=C41 1 3.69 3 2 -8.08724390838397 2461255 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCCN3C4=CC=CC=C4OC3=O 1 3.216 3 3 -3.05007252089407 2461252 CCOC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N(C)CC2=CN=CC=C2 1 0.772 3 4 0 -13.5287667536556 2461245 CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3 1 1.003 4 6 0 -17.7620996720269 2461238 CCN(CC(=O)NC(C)C)C(=O)C1=CC=C(C=C1)Cl 1 2.043 2 2 -15.3978977413007 2461208 CC1=C(N2C=CC=CC2=C1C=NNC(=O)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)F 1 4.661 3 3 -3.46961871107149 2461175 C1CCC2=C(C1)C3=C(N=C(N=C3S2)CN4CCOCC4)N5CCC6=CC=CC=C6C5 1 4.504 4 1 -9.94375380688337 2461173 CC(=O)C1=CC=CC=C1OCCOC2=C3C=CSC3=NC=N2 1 3.006 2 3 -8.04079989086584 2461159 CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)C)C 1 2.366 5 5 0 -17.4737096189689 2461136 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 3.42 3 3 -5.71060874768298 2461113 COCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C#N)N 1 1.001 5 4 0 -12.328867733137 2461111 COCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3CCCC3)N 1 1.128 4 4 0 -7.98330853302416 2461093 C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C(F)(F)F 1 3.531 4 3 0 -24.2285060056337 2461074 CCN(C1=NC2=C(S1)C=CC(=C2)Cl)C(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4 1 4.274 3 2 -10.8986909899682 2461072 CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC(=CC3)C4=CC=CC=C4 1 4.962 1 2 -7.4297899074039 2461065 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=NN=C(S3)C4CC4 1 3.122 4 4 0 -15.1955504343626 2461057 CC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.862 3 3 -17.7024383981991 2461048 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 4.151 3 3 -16.8319753467925 2461038 CCOC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC 1 4.196 5 3 0 -11.5869094676523 2461024 C1CC1(C2=CC=CC=C2)C(=O)NC3=NC(=C(S3)C4=CC=CS4)C5=CC=CS5 1 5.817 2 1 -9.71396919720987 2460996 CC1=CC=CC=C1NC(=O)CNC(=O)C2=CC=C(C=C2)C(F)(F)F 1 3.102 2 2 -9.65118406662005 2460969 CC1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C)C4=CC(=C(C=C4)OC)OC 1 4.423 3 2 -4.76827546192168 2460961 CCOC(=O)N1CCN(CC1)C2=CC=CC=C2O 1 1.959 2 3 0 0.910307726286799 2460952 CCCOC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCC3=CC=CC=C3 1 3.507 1 4 -15.7866930126932 2460950 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NCC3=CC=C(C=C3)Cl 1 3.299 1 4 -11.6940586806905 2460945 COCCNC(=O)C1=CC2=CC(=CC(=C2OC1=O)Br)Br 1 2.434 1 4 -15.4586660031525 2460938 CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)C3=NC=CS3 1 1.903 3 3 0 -4.16853168354857 2460931 CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C=N2)Cl 1 3.786 2 1 -1.25387583813662 2460930 C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)S(=O)(=O)C5=CC6=C(C=C5)OCCO6 1 2.308 5 4 0 -10.2793583127625 2460890 CC(=O)NC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=CC=N3 1 1.957 4 2 0 -2.48347069839955 2460882 CN1C=NN=C1SCC(=O)C2=C(N(C(=O)N(C2=O)C)CC3=CC=CC=C3)N 1 0.623 6 3 0 -19.9481077229343 2460870 CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=NC3=CC=CC=C3C=C2 1 4.312 2 1 -7.62143178834404 2460866 CC1=CC(=C(N1C2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC(=CC=C4)S(=O)(=O)N(C)C 1 3.843 4 3 0 -12.2214875242174 2460858 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCC(=O)NCC(F)(F)F 1 3.569 1 3 -12.5604272379221 2460838 COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CC=C3 1 3.913 3 2 -13.4063256045957 2460836 C1CC1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.209 3 2 -20.365394008699 2460834 C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=CC4=C(C=C3)OCO4 1 3.361 2 4 -7.21881450594676 2460832 CC(C)NC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 3.446 3 2 -23.2142268681111 2460829 C1CC1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.473 3 2 -23.6453439364572 2460822 CC1=CC=CC=C1C(=O)NCC2(CCCCC2)N3CCCCC3 1 4.294 2 1 -11.6920838755072 2460786 CCC1=NC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C)N=C1CC 1 3.098 4 2 -10.3338036183136 2460784 C1CCC(CC1)CNC(=O)C2=CC=C(C=C2)C#N 1 3.105 2 1 -9.74288346042289 2460757 COC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)OC)Cl 1 1.932 2 4 0 -6.32196264574488 2460743 C1=CSC(=C1)C2=NN=C(O2)COC3=C4C=CSC4=NC=N3 1 2.664 4 2 -10.3293103169932 2460718 C1COCCN1C2=CC=C(C=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3 1 3.48 3 2 -6.08518612598837 2460714 CSC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.67 2 2 -2.04324942040266 2460712 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.119 4 2 -6.42406477552488 2460687 C1=CC(=C(C(=C1NC(=O)CNC(=O)CSC2=NN=C(S2)N)F)F)F 1 0.953 5 2 0 -19.0572228481125 2460682 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C4N3C=C(C=C4Cl)Cl 1 4.571 4 3 0 -23.6903879708869 2460681 C1CCN(CC1)C(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)N 1 1.387 4 4 0 -14.3351464056924 2460667 C1=CC(=CC=C1C2=NN=C(O2)CN3C(=O)C(=C(C=N3)Cl)Cl)Cl 1 2.378 4 2 5.94513797738348 2460652 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC3=C(C=C(C=C3)Br)Cl 1 4.517 3 2 -3.53348492064186 2460641 C1=CC(=CC=C1CCNC(=O)CSC2=NC=NN2)Cl 1 2.302 4 1 -13.8309263341325 2460639 COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)OC)OC 1 5.168 1 7 0 -15.3973029778994 2460625 C1=CC(=CC(=C1)Cl)CNC(=O)CSC2=NC=CC=N2 1 2.421 3 1 -10.4411744707576 2460587 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=NN3C 1 -0.153 8 3 0 -24.457065713718 2460561 C1=CC=C(C=C1)C(C2=CC=CC=C2)NCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 4.175 3 3 -8.24549402871997 2460559 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 1.172 3 3 0 -11.7048523425482 2460537 C1=CC=C(C=C1)C(C2=CC=CC=C2)NCC(=O)NC3=C(C=CC=C3F)F 1 4.027 2 1 -6.98315677671265 2460529 CCOC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NN=C(S3)N)OC 1 3.136 4 2 -7.8964087987031 2460528 CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC(CC3)C(=O)OC 1 2.373 2 6 0 -10.2870435519005 2460474 C1COCCN1C2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4 1 4.149 3 4 0 -6.97930288677297 2460456 CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C 1 3.012 4 3 0 -17.2464088639686 2460453 CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCCN(C)C)C4=CC=C(C=C4)F 1 5.607 3 1 -14.7941582823279 2460449 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCC(=CC3)C4=CC=CC=C4 1 1.681 5 3 0 -9.49179611386211 2460445 CCN(CC1=NC2=C(C3=C(S2)CCC3)C(=O)N1)CC(=O)NC(C)C 1 1.683 4 2 0 -24.1744320753065 2460442 C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CN4CCN(CC4)CC5=CC=CC=C5 1 4.531 2 2 -3.50763784379152 2460334 CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3 1 4.419 2 5 0 -22.5025197871388 2460325 C[C@@H](C(=O)OCCOC1=CC(=CC=C1)Cl)NC(=O)C2=CC=CC=C2Cl 1 4.19 1 4 -11.9496990338208 2460307 C1=CC=C2C(=C1)N=C(S2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl 1 4.177 3 1 -2.96479245984135 2460299 C1CN(CCN1CC(=O)NC2=C(N=CC=C2)Cl)C3=CC=CC=C3O 1 2.066 4 2 -0.848997154125068 2460294 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC3 1 2.398 2 3 -11.278817149788 2460275 C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NN=C(S3)N 1 2.273 6 1 0 -20.8115776634447 2460259 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)Cl 1 3.955 2 4 -8.83187388307915 2460256 CC1=NN(C(=C1/C=C\2/C(=O)NC(=S)N2)Cl)CC3=CC=CC=C3 1 2.805 4 1 -9.48627125981392 2460247 C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCC4=CC=CC=C4Cl 1 4.901 4 0 -9.96985888159615 2460244 CC1=C(C2=NC(=CC(=O)N2C=C1Cl)CN3CCN(CC3)C4=CC=CC=C4)Cl 1 2.878 4 1 0.672603328508266 2460197 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C)C 1 1.628 3 2 0 -8.72385812489269 2460195 CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F 1 5.561 4 2 -14.0876085642426 2460170 CN(CC1=CC=C(C=C1)F)C(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 2.381 2 2 -12.3601432502886 2460169 CCOC(=O)C1CCN(CC1)CC2=CC(=O)OC3=C2C=CC(=C3C)C 1 3.582 1 4 -4.21370594535435 2460166 CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)O 1 1.482 4 3 0 -8.39215348992103 2460164 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2(CCCCC2)N3CCOCC3 1 1.49 3 4 0 -18.590674849496 2460154 CC1=CC(=C(C=C1)C(=O)COC2=CC=C(C=C2)NC(=O)C)C 1 3.162 1 3 -2.7897453774491 2460145 CC1=CSC(=N1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.483 3 3 0 -14.0207150333887 2460124 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4)Cl 1 2.707 3 4 0 -18.1495384772394 2460120 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)NC3=CC=CC(=C3)C(=O)C 1 1.551 3 5 0 -26.0914853593843 2460117 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.337 3 2 -7.51279529224276 2460114 C1CCC2=C(CC1)SC(=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 4.257 2 2 -8.13465300686792 2460107 C1COCCN1C2=CC=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 2.09 2 4 -13.9843861230984 2460073 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C2CCCCC2 1 3.462 2 2 -8.49231379621009 2460071 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)O 1 1.436 5 3 0 -10.6769929708099 2460056 C1CSC(=N1)NC(=O)C2=CC=CC=C2Cl 1 2.767 2 1 -11.5976126547767 2460037 COC1=CC(=CC(=C1)C(=O)NC2=NCCS2)OC 1 2.069 2 3 -14.2109329352395 2460030 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=NC(=CS3)C4=CC=CC=C4 1 4.573 3 4 0 -6.7051781503507 2460023 CC(C)[C@@H](C(=O)N(C)CC1=CC=C(C=C1)C(F)(F)F)NC(=O)C2=CC=CO2 1 3.552 2 3 -8.7424441958863 2460015 CC1=C(SC=C1)C(=O)NCC2=CC=CC=C2OC 1 3.044 1 2 -11.3485673992056 2459999 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N(CC3=CC=CO3)CC4=CC=CS4 1 3.879 2 3 -9.8061359186954 2459978 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC(=O)C3=CC=C(C=C3)Br)F 1 1.63 3 5 0 -19.1624596652413 2459977 C1=CC(=CC=C1C2=CC=C(C=C2)O)C(=O)OCC(=O)N 1 1.815 1 4 0 -2.58965828604648 2459972 CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)Cl 1 3.606 1 3 -8.56376292619098 2459969 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3 1 2.332 3 2 -10.0971927760765 2459897 CC(C)[C@@H](C(=O)OCC(=O)N)NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F 1 1.571 2 5 0 -16.4450967819531 2459881 C1=CC=C(C=C1)C(C2=CC=CC=C2)NCC(=O)NC3=CC=C(C=C3)F 1 3.821 2 1 -6.10958111941056 2459869 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NN=CC4=CN=CC=C4 1 3.619 4 1 -7.99493715897338 2459859 CC(C)N(C1=CC=CC=C1)C(=S)NC2=CC=CC=C2OC 1 5.43 2 1 -9.6694744628426 2459820 C1=CC(=CC(=C1)C(F)(F)F)C=NNC(=O)C2=CC=C(C=C2)O 1 3.383 2 2 1.81241660426365 2459791 CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C=NNC(=O)C4=CC=C(C=C4)O 1 4.75 3 2 0.134394963780473 2459786 C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)O)C(F)(F)F 1 3.383 2 2 0.756132742536277 2459777 C1=CC=C(C(=C1)C=NNC(=O)C2=CC=C(C=C2)O)C(F)(F)F 1 3.383 2 2 -1.48226484412678 2459756 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)CN3C=NN=N3 1 0.15 6 4 0 -27.1848500911855 2459754 C1=CC=C(C=C1)C(CCNC(=O)CSC2=NNC(=N2)N)C3=CC=CC=C3 1 3.152 5 1 -16.2056339899992 2459710 CC(C)C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC 1 2.555 2 5 0 -15.8877028592271 2459696 C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl 1 4.786 3 1 -7.95432288696846 2459679 CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3 1 4.67 2 5 0 -23.1379356208141 2459648 CCNC1=C2C(=C(SC2=NC(=N1)CSC3=CC=CC=C3)C)C 1 4.453 3 0 -2.94898666510678 2459646 CC1=C(C(=CC=C1)NC(=O)CN(C)C(=O)C2=CC=C(O2)C)C 1 2.393 2 3 -5.89401716287754 2459496 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC(=O)C3=CNC4=CC=CC=C43 1 4.651 2 4 -11.0228504851261 2459487 CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-] 1 1.968 2 6 0 -16.3089018812116 2459480 C1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)Cl 1 2.664 1 3 -9.21736658444603 2459439 CC1=C(C(=CC=C1)C)NC(=O)CNC2=C3C(=C(SC3=NC=N2)C)C 1 3.7 4 1 -8.13328348950047 2459437 CN(CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)C2=CC=CC=C2 1 1.661 3 3 0 -13.8792929182941 2459354 CN1C2=CC=CC=C2C(=CC1=O)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C 1 1.95 3 4 0 -6.44153126924326 2459333 CC1=CC(=NC(=N1)N2C3=NC(=C(C(=C3C(=N2)C)C)C)C)C 1 3.149 5 0 -1.48660032095604 2459292 C1CSC(=C(C(=O)/C=C/C2=CC=C(C=C2)Cl)C(=O)N)S1 1 3.326 1 2 0.35345588496215 2459281 CCOC1=CC=C(C=C1)/C=C/C(=O)C(=C2SCCS2)C(=O)N 1 2.994 1 3 -2.64773216647683 2459270 COC1=CC=C(C=C1)/C=C/C(=O)C(=C2SCCS2)C(=O)N 1 2.645 1 3 -1.88150901476881 2459161 CC1=CC=C(C=C1)NC(=O)CN2CCC3=CC=CC=C3C2 1 3.1 2 1 -8.302141409108 2459117 CC1=C(C=C(C=C1)NC2=NC(=C(S2)C=O)Cl)Cl 1 3.815 2 1 1.99408543461219 2459085 CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC(=O)C1=O 1 1.328 4 5 0 -8.32651951216918 2459075 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl)F 1 3.5 2 5 0 -16.2791547175422 2459059 CC(C)(CNC(=O)C1C2=CC=CC=C2C3=CC=CC=C13)N4CCOCC4 1 2.664 2 2 -9.93957566989246 2459048 CC1=CC(=CC(=C1)N(CCC#N)C(=O)CN2C(=O)C3(CCCC3)NC2=O)C 1 2.31 4 3 0 -11.39535940863 2458986 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC(=O)NC4=CC=CC=C4Br 1 3.191 3 4 0 -27.8650657405982 2458984 C1CN(CCN1C2=NC=CN=C2)C3=NC=CC=N3 1 -0.639 6 0 0 4.50009811115863 2458951 CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3CC=C)C4=CC=C(C=C4)C(C)(C)C)C(=O)O 1 5.134 5 3 0 -17.2604434330018 2458949 CCOC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4OC 1 5.207 2 5 0 -21.7648884975587 2458945 CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(S3)C)C(=O)O 1 1.815 4 3 0 -21.977305636433 2458943 CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(S3)SC)C(=O)O 1 2.638 4 3 0 -18.5250496435671 2458941 CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)Cl 1 5.213 3 5 0 -26.4829648497294 2458939 COC1=CC=C(C=C1)OCCSC2=NC=NN2 1 2.289 3 2 -8.27561704777161 2458928 CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3C)C4=CC=C(C=C4)F)C(=O)O 1 3.323 5 3 0 -15.4937599587344 2458921 CC1=CC(=C(C=C1)OC)N(C2=NC(CS2)(C)C)C(=O)C3=CC=C(C=C3)C#N 1 4.816 3 2 -7.15615344306951 2458908 CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)C(F)(F)F 1 1.977 5 3 0 -11.8149819274894 2458904 CCN1C(=NN=C1SCC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2)C4=CC=C(C=C4)Cl 1 4.13 5 3 0 -14.6253718610367 2458897 C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)O 1 3.977 3 3 -11.5099360346072 2458895 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4 1 4.052 4 4 0 -27.4102926037076 2458884 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NCC(=O)O 1 1.915 2 5 0 -11.0433412761686 2458853 C1CCC(C1)NC(=O)NC(=O)CN2CCCC2 1 1.023 3 2 0 -7.72738305820004 2458793 C1CN(CCN1C(=O)CSCC(=O)O)S(=O)(=O)C2=CC=CC=C2 1 0.126 2 5 0 -25.7785923936416 2458791 CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC=C 1 1.097 1 3 0 -12.6180440978261 2458790 C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CN=C(C=C3)Cl 1 1.349 3 2 0 -15.0512647627267 2458771 CC1=C(SC2=C1C(=O)NC(=N2)C3=CC=CC=N3)C(=O)N(C)C 1 1.749 4 2 0 -13.871103694136 2458751 CN(CC1=CC(=CC=C1)F)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.837 2 4 0 -18.0169287362923 2458735 CC(=O)NC1=CC=C(C=C1)C=NN2CCCCC2 1 1.601 3 1 0 -5.22180510955834 2458733 CC1=C(C(=CC=C1)C)NC(=S)NN=CC2=CC=C(C=C2)C(=O)O 1 4.688 3 2 -8.59298445075043 2458730 CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1O 1 2.571 0 4 -6.14117247737937 2458707 CC(C)N(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)OC(F)F 1 6.163 2 1 -4.73159849852352 2458706 CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.31 2 3 -8.31887492430393 2458702 CC1=CC(=C(N1CC2=CC=CO2)C)C3=CSC(=N3)NC(=O)C4=CNC(=O)C=C4 1 1.721 4 3 0 -9.71416368544221 2458676 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=CC3=CC=CC=C3O2 1 2.447 1 6 0 -13.2782324234138 2458671 C1CC2=NC3=C(C=CC(=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)OC(F)F)C(=O)N2C1 1 2.587 3 5 0 -15.0989372656126 2458653 CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C(C)(C)C 1 4.435 1 3 -7.92024362864598 2458582 C1OC2=C(O1)C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)C(F)(F)F 1 3.653 1 3 -4.9068516466579 2458579 CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.31 2 3 -7.79399417323091 2458525 CCOC1=C(C=CC=N1)C(=O)OCC2=C(C=CC=C2Cl)Cl 1 4.318 1 3 -9.18445647869117 2458518 CC(C)NC(=O)NC(=O)CSC1=NN=C(N1C)C(F)(F)F 1 1.398 5 2 0 -17.4185219587605 2458500 CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN=C2)Br 1 3.481 1 3 -10.1528018938081 2458483 CN(CC1=CC=CC=C1F)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.727 4 0 5.11729005296477 2458474 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C)C 1 1.899 2 7 0 -16.6359253879181 2458470 CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=C(C=C2)Cl 1 3.606 1 3 -11.3879176205535 2458404 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC=NC5=C4C(=CS5)C6=CC=CC=C6 1 4.286 4 3 0 -8.05772767705531 2458389 CCNC(=O)CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=CS2 1 1.702 2 4 0 -18.9483546294768 2458381 C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.665 3 5 0 -13.4629309604317 2458324 CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)C3=CC=CC=C3F 1 3.952 3 2 -13.4164083715638 2458299 CC1=CC(=NC2=NC(=NN12)C(=O)NNC(=O)C3=CC=C(C=C3)Cl)C 1 1.613 6 2 0 -9.30705470973755 2458297 C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C4N3C=CC=C4 1 2.605 4 1 -19.7491173925605 2458296 CSC1=C(C=CC=N1)C(=O)OCC2=C(C=CC=C2Cl)F 1 4.069 1 2 -10.5322132867471 2458280 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC(=CC(=C3)C)C 1 4.101 2 4 -10.2901586393935 2458272 CC1=CC(=NC2=NC(=NN12)C(=O)NC3=CC4=C(C=C3)OCCO4)C 1 1.477 5 3 0 -14.4169340339608 2458262 CCCCC(=O)OCC(=O)NC1=CC(=C(C=C1)C)F 1 2.928 1 3 -10.605507649364 2458261 CC1=CC(=NC2=NC(=NN12)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C 1 1.934 6 2 0 -6.85488802685745 2458238 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)[C@H](C)NC(=O)C3=CC=CO3 1 2.236 2 6 0 -17.0768967527664 2458221 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)[C@H](C)NC(=O)C2=CC=CC=C2Cl)C 1 3.37 2 6 0 -18.5850741450776 2458204 CC1=C(SC=C1)C(=O)NC2=NC(=CS2)C 1 2.334 2 1 -7.244629071031 2458192 C1=CC(=CC(=C1)Br)/C=C/C(=O)NCC2=CC=NC=C2 1 2.687 2 1 -3.38960942271006 2458170 CC1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.344 2 2 -9.5062895453947 2458157 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=CC3=C2C=CC=N3)C(F)(F)F 1 3.446 2 2 0.8494152384215 2458145 CN(CC(=O)NC1=CC=CC=C1F)CC(=O)NC2=CC=CC=C2Br 1 2.546 3 2 -6.9846923841094 2458106 CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NCC2CCCCC2 1 4.061 1 3 -12.4572635324704 2458093 C1CCC(C1)N2C(=O)C(=O)N(C2=O)CC3=C(C=CC=C3Cl)F 1 3.185 2 3 -8.32220553932042 2458091 COC1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.531 3 4 0 -24.1225683188184 2458080 C1CC2=NC3=C(C=CC(=C3)C(=O)OCC(=O)N(CCC#N)C4=CC=CC=C4)C(=O)N2C1 1 1.967 4 4 0 -21.2852749506327 2458064 C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N 1 1.829 1 5 0 -10.5861159829796 2458043 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)O 1 3.323 2 6 0 -2.57547559884168 2458034 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 3.902 3 4 0 -8.41675189695932 2458027 CN1C=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.896 4 2 -5.94690861495297 2458017 CC1=NC=C(N=C1)C(=O)OCC2=CC=C(C=C2)COC(=O)C3=CN=C(C=N3)C 1 1.527 4 4 0 -8.89277328382342 2457998 C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)COC3=CC=C(C=C3)Cl 1 3.938 2 2 -3.36323275903827 2457986 CC(C)CN1C(=O)C(=O)N(C1=O)CC(=O)N(C)CC(=O)NC2=CC=C(C=C2)F 1 0.629 4 5 0 -16.496120294518 2457985 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F 1 1.324 3 6 0 -24.6811752940693 2457974 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN=C(C=N3)C 1 1.982 4 2 0 -10.4616722960544 2457944 CC1=C(C(=CC=C1)NC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C 1 5.156 4 1 1.8045597521169 2457942 CC(C)(C)NC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2 1 3.476 2 1 -11.4705577060677 2457920 COC1=C(C=C(C=C1)C=NOCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)OC 1 3.918 2 4 -11.4133760337655 2457905 C1=CC=C(C=C1)C=NOCC2=CC=C(C=C2)C#N 1 3.158 2 1 -0.136989473449068 2457894 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=CC=C2 1 1.152 2 5 0 -13.0882937846249 2457886 CCCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)C4=CC=NC=C4 1 3.679 5 1 -5.45560671840888 2457883 C1=CC(=C(C(=C1)Cl)COC(=O)C2=CC(=C(N=C2)Cl)Cl)F 1 4.526 1 2 -5.95484730815018 2457799 CC1=CC(=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=C(N(C(=O)N(C4=O)C)C)N)SC5=C3CCCC5)C 1 4.512 5 4 0 -32.5210989957043 2457762 CC1=CC(=NC2=NC(=NN12)SCCCC(=O)C3=CC=CC=C3)C 1 3.694 4 1 -10.9702134016838 2457756 C1=CC(=C(N=C1)Cl)C(=O)OCC2=CC(=C(C=C2)Cl)Cl 1 4.32 1 2 -1.29160997363845 2457726 CC1=C(SC2=C1C(=NC=N2)SCC(=O)N3CCC4=CC=CC=C4C3)C 1 3.748 3 1 -16.1630560840608 2457725 C1=CC=C(C=C1)CNC(=O)CC2=C(N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4 1 4.804 3 1 -5.88225990728808 2457724 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl 1 4.705 3 2 -4.05290567205137 2457722 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CC=C3Cl 1 3.442 2 5 0 -21.6733443291377 2457711 CC1=NC=C(N=C1)C(=O)NCCN2C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/SC2=O 1 1.365 4 6 0 -19.4226486911057 2457707 COC1=CC=CC=C1CNC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC=C3F 1 2.375 2 4 -17.7765089476598 2457694 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCC(=O)NC3=CC=CC=C3OC(F)F 1 2.342 3 5 0 -15.378405484608 2457693 COC1=CC=C(C=C1)CNC2=C3C=CSC3=NC=N2 1 3.027 3 1 -2.53010516487051 2457681 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N(C)C 1 1.233 2 5 0 -14.9931231875082 2457676 C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=O)C=C(N3)N)C(=O)N 1 1.043 5 3 0 -22.6131572753617 2457668 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=NOC(=C3)C 1 1 4 4 0 -17.4749908098079 2457665 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3 1 2.49 5 3 0 -20.1748984218479 2457625 CN1C(=C(C(=O)N(C1=O)C)C(=O)CN(C)C2=CC=CC=C2)N 1 0.549 4 3 0 -10.9722314297907 2457623 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC(=C(C=C2)C)Cl)C 1 3.748 2 3 -10.6877161822572 2457607 CCOC1=CC=C(C=C1)C=NOCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.283 2 3 -8.30041563589422 2457604 C1=CC=C2C(=C1)C(=NN2)C(=O)OCC(=O)C3=C(C=CC(=C3)F)F 1 3.424 2 3 -12.6204330643014 2457582 C1CCCC(CC1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.555 3 4 0 -17.485860575152 2457532 CC(C)(C(=O)NCCN1C(=O)/C(=C\C2=CN=CC=C2)/SC1=O)OC3=CC=C(C=C3)Cl 1 3.149 3 4 0 -6.75927204952654 2457524 C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NNC3=C(C=C(C=C3Cl)Cl)Cl 1 3.78 4 2 -7.59656290992861 2457491 C1=CC=C(C(=C1)/C=C/C(=O)NCCN2C(=O)/C(=C/C3=CC=C(C=C3)F)/SC2=O)[N+](=O)[O-] 1 3.572 3 5 0 -9.23852446196499 2457483 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)NCC3=CC=CO3)C 1 1.481 4 5 0 -21.3300074125816 2457481 CN1C=CC=C1C(=O)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 1.737 3 6 0 -13.0597883782251 2457444 CCOC(=O)C1=CC=CC=C1NC(=O)C2=NN3C(=CC=NC3=N2)C 1 1.613 5 3 0 -17.3192646479973 2457443 CC(=O)NC1=CC=C(C=C1)C=NNC(=O)C2=CC=CS2 1 1.757 3 2 0 -9.21145237916871 2457436 C1=CC(=CC=C1C(=O)CCCSC2=NC(=O)C=C(N2)N)Br 1 2.808 3 2 -11.7328766864999 2457408 CC1=CC(=NC2=NC(=NN12)SCC(=O)N3CCC(CC3)C(=O)OC)C 1 1.461 5 3 0 -16.6106531727597 2457390 CC1=CC(=NC2=NC(=NN12)SCC3=C(C=CC(=C3)C(=O)C)OC)C 1 3.175 4 2 -15.8907134652032 2457364 CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)N(C(C)C)C(C)C 1 3.263 2 3 -14.1093280222398 2457362 C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCCOC4=CC=C(C=C4)F 1 4.491 4 1 -5.00338181176515 2457356 CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C=C(C=C2)O)O 1 0.676 2 7 0 -5.61988077818513 2457342 CC1=CC(=NC2=NC(=NN12)SCC(=O)NC(=O)C3=CC=CC=C3OC)C 1 2.36 5 3 0 -16.6200796863342 2457327 COC1=CC=C(C=C1)OC2=C3C=CSC3=NC=N2 1 3.195 2 2 0.498498815023369 2457314 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)/C=C/C2=C(C=CC(=C2)OC)OC)N 1 0.677 3 7 0 -14.6077389252271 2457293 CC1=C(C(=CC=C1)C)NC2=NN=C(S2)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4 1 3.318 4 3 0 -13.0563638105414 2457290 COC1=C(C=C(C=C1)CNC2=C3C=CSC3=NC=N2)OC 1 3.01 3 2 -6.83201959564309 2457247 CCN(CC)CCNS(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)O 1 -1.36 2 4 0 -6.89568145060753 2457243 C1CC1C(=O)N2CC(=O)NC3=CC=CC=C32 1 0.72 2 2 0 -14.4876931498681 2457236 CC[C@H](C)[C@@H](C(=O)NCCC1=C(C=C(C=C1)Cl)Cl)NC(=O)N 1 3.24 3 2 -17.5245706268492 2457226 COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)N3)OC 1 1.245 3 7 0 -12.3479625990686 2457166 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=C(C(=NO4)C)C 1 3.909 4 6 0 -10.3389059684782 2457160 C1COCCN1C2=CC=C(C=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.76 3 5 0 -21.9698892623538 2457157 CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C 1 2.131 3 3 0.345599913639646 2457136 CN(CC1=CC=CC=C1Cl)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.722 2 1 1.72975618487859 2457123 CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NN=C(S2)N)N 1 -0.136 6 3 0 -14.9585963768816 2457119 C1COCCN1C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2 1 1.547 1 4 0 -9.51472782710333 2457115 C1COCCN1C(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 2.171 1 4 -9.93093205829861 2457079 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC2=NN=NN2C3=CC=CC=C3)N 1 1.875 8 3 0 -28.2693777330204 2457075 CC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC3=C(C=C2)OCO3 1 1.957 1 5 0 -10.6117975198303 2457071 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC(C)C)N 1 2.99 6 3 0 -12.7754670009628 2456996 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)C3=C(C4=CC=CC=C4O3)N)C)C 1 4.077 2 2 12.0992493391259 2456993 CCOC1=C(C=CC=N1)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br 1 3.979 1 4 -10.2244581623275 2456979 C1=COC(=C1)CN(CC2=CC=CS2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.535 3 5 0 -20.2645579471188 2456977 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3 1 3.765 2 2 2.95649236326113 2456967 CC1=CC(=NO1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 0.839 3 5 0 -24.375479202191 2456953 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CC=C3 1 3.693 3 3 -26.1303569677726 2456934 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O)Cl 1 3.565 1 4 -1.15757728638481 2456928 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CSC=C3 1 1.508 2 4 0 -23.4270927812601 2456915 COC1=CC(=C(C=C1)C(=O)COC(=O)/C=C/C2=CC=CC=C2)OC 1 3.376 0 5 -5.04675905207087 2456913 CC1=CC(=CC=C1)OC2=CC=CC=C2NC(=O)C3=NC=CN=C3 1 2.788 3 2 -6.6285146085623 2456860 C1CCC(CC1)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 2.931 2 3 -11.8328159351287 2456821 CC1=CC=CC=C1CN(C)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.544 2 1 -0.149611525442211 2456779 CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2CCCCC2 1 2.422 1 3 -13.2042711749671 2456765 CC1CCC(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C 1 2.674 1 3 -15.4479803210796 2456760 CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 1.206 2 5 0 -21.7910724871424 2456758 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C=C3 1 3.583 3 2 -6.88159744776811 2456732 CC(C)N(C1=CC=CC=C1)C(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CS3 1 3.862 2 4 -16.8257250288749 2456723 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N 1 3.491 2 7 0 -17.010270577662 2456714 C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)COC2=NC=NC3=C(C=C(C=C32)Cl)Cl)Cl 1 4.434 4 4 0 -3.03076582182879 2456713 CC1=C(C=C(C=C1)NC(=O)COC2=NC=NC3=C(C=C(C=C32)Cl)Cl)[N+](=O)[O-] 1 4.256 4 4 0 -3.40292416756012 2456699 CC1=NN(C(=C1C=NNC(=O)C2=CC=C(C=C2)O)Cl)C3=CC=C(C=C3)F 1 3.614 4 2 0.95287170024337 2456678 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CSC3=CC=C(C=C3)Br 1 4.667 2 3 -3.22975152906827 2456666 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)C2=CC=CN2 1 2.768 1 6 0 -12.0609634966289 2456644 C1=CC=C(C=C1)C(C2=CC=CC=C2)NCC(=O)NC3=CC=CC=C3Br 1 4.364 2 1 -8.47011217479485 2456635 CN1CCN(CC1)C2=NC(=CS2)C3=CC=C(S3)Cl 1 2.686 3 0 9.00780239536621 2456629 CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CNC2=CC=CC3=CC=CC=C32 1 4.567 2 2 -4.7963705261359 2456625 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NCC3=CC(=C(C=C3)OC)OC 1 3.36 1 7 0 -7.0044123415603 2456622 C1CC2=C(C1)C=C(C=C2)NC(=O)COC3=C(C(=CC=C3)Cl)Cl 1 4.835 1 2 -6.51029787580831 2456618 CCCOC1=CC=C(C=C1)OCCSC2=NN=C(S2)N 1 3.129 3 2 -6.08867636069864 2456605 C1CCCC(CC1)NC(=O)COC2=NC=NC3=C(C=C(C=C32)Cl)Cl 1 4.614 3 2 -3.59063716459044 2456603 COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2O)OC 1 2.666 0 6 -5.21393455884049 2456587 CC1=CC(=CC(=C1)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CO2)C 1 3.076 2 5 0 -19.0906441585568 2456580 C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)O 1 1.659 1 3 0 -10.9586044133938 2456577 CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)O 1 2.058 1 4 -9.31592356906764 2456570 CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)O)C)Cl 1 2.778 2 2 -1.06897982500223 2456539 COC1=CC=C(C=C1)OCCSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43 1 4.269 4 2 -6.2735016175741 2456518 CCC1=CC=C(C=C1)NC(=O)COC(=O)CN2C(=O)COC3=CC=CC=C32 1 2.111 2 5 0 -9.85626916675765 2456517 CCN(C1=CC=CC=C1)C(=O)COC(=O)C2=COCCO2 1 0.79 1 5 0 -12.6965764631947 2456514 CC1=CC=CC=C1NC(=O)COC(=O)CC2CCCC2 1 3.059 1 3 -11.7543084351207 2456510 CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)F 1 2.801 1 5 -9.41401269746786 2456462 CC(C)[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)NC(=O)N 1 2.184 3 2 -18.1981754099066 2456457 C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C(=O)N 1 1.623 4 5 0 -18.7465449678809 2456434 CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC(=CC=C2)Br 1 3.619 1 3 -14.8628468832896 2456432 COC1=CC(=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)Cl)OC 1 2.631 1 5 -6.79289058225557 2456379 CC1=C(C(=NO1)C)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2Cl 1 3.202 2 4 -23.132685978537 2456362 CC1=CC=C(C=C1)NC(=O)COC(=O)CN2C(=O)COC3=CC=CC=C32 1 1.655 2 5 0 -9.61683103097856 2456357 COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=CS3 1 1.982 3 1 0 3.56738471638192 2456328 CCOC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC(=CC=C2)Br 1 3.41 1 4 -13.4733116890611 2456253 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.62 3 4 0 -11.6029548727492 2456205 C1CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 2.959 3 2 -21.5363943916249 2456191 C1CCC(CC1)CNC(=O)C2=CNC(=O)C=C2 1 1.033 2 2 0 -11.2347615574979 2456176 C1=CC=C(C=C1)C(=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=N3 1 3.5 4 3 0 -10.8259233117835 2456142 CCOC(=O)C1=C(C2=CC(=CN=C2S1)C(=O)C3=CC=CC=C3O)C 1 3.884 1 4 -3.27917762112398 2456097 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3)O 1 2.581 2 6 0 -14.3510802404748 2456091 COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=CC=CC=C3F 1 2.756 2 7 0 -12.9236749158614 2456084 COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl)NC(=O)C3=CC=CO3)OC 1 3.186 3 7 0 -12.1134848445499 2456057 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)C2=CC=C(O2)C 1 1.982 2 3 0 -12.3637671433798 2456056 C1CCC(C1)NC(=O)COC(=O)C2=C(C=CC=C2Cl)F 1 3.017 1 3 -11.4698123814217 2456047 C1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3N2 1 3.439 2 2 -2.58877441358229 2456039 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.541 6 5 0 -22.7744614576158 2455970 COCCN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 2.044 2 3 -18.584703665531 2455967 CCCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 3.497 2 2 -16.8046659211979 2455954 CCCN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.562 2 4 0 -16.1583662303005 2455929 CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NNC(=N3)N)C4=CC=CC=C4 1 3.868 7 1 0 -4.91709038923349 2455927 CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NNC(=N2)N 1 2.234 5 1 -7.71430310819242 2455922 CC1=C(C(=NC=C1Cl)NC(=O)CSC2=NNC(=N2)N)Cl 1 2.287 6 1 0 -5.71845373213218 2455908 CC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C3=C(C=C(C=C3)F)F 1 5.736 1 2 0.430606894046889 2455907 CN1C=CC=C1C(=O)NCC2=CC=C(C=C2)Cl 1 2.877 2 1 -4.83813937537345 2455905 C1=COC(=C1)C(=O)NCCC(=O)NC2=CC(=C(C=C2)C#N)Cl 1 1.861 3 3 0 -13.2469670402594 2455892 CC1=CC=C(O1)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)OC 1 2.832 2 5 0 -13.0197854114768 2455870 C1=CC(=NC=C1Cl)NC(=O)CSC2=NNC(=N2)N 1 1.137 6 1 0 -6.10807445196011 2455862 CCN(C1=CC=CC=C1)C(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.408 1 3 -9.58571029436655 2455854 C1=CC=C(C=C1)OC2=CC=CC(=C2)NC(=O)CSC3=NNC(=N3)N 1 2.644 5 2 0 -5.21488832909888 2455839 CC1=NN(C(=C1)NC(=O)CSC2=NN=NN2C)C3=CC=CC=C3 1 1.493 7 1 0 -21.855168675347 2455830 C1=C(SC(=C1)Br)C(=O)CSC2=NNC(=N2)N 1 2.225 4 1 -3.77952762098765 2455829 CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CS3 1 1.579 3 3 0 -15.82125917808 2455813 C1CCC(CC1)NC(=S)N(CCO)CC2=CC=CC=C2 1 4.096 2 1 -7.93557937350302 2455800 COC1=CC=CC(=C1)C2=NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4 1 2.931 2 3 7.0964665208614 2455798 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC 1 5.007 3 0 1.33611803007558 2455792 CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F 1 4.324 3 2 -21.0759178983306 2455764 C1CN(CCN1C2=CC=CC=C2Cl)C(=S)NC3=CN=CC=C3 1 4.191 4 0 -6.33600871239082 2455762 COC1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4 1 2.931 2 3 5.58167904852077 2455742 CC1=NC(=C2C3=C(CCCC3)SC2=N1)OC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)Cl 1 4.019 3 4 0 -22.6528348074007 2455686 CC1=CC(=C(C(=C1)C)NC(=O)COC2=C(C=C(C=C2)C=NNC(=S)NC)OC)C 1 4.293 4 3 0 -17.2072537911877 2455683 CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NN=CS2)C)C 1 1.69 3 3 0 -10.6957982685025 2455664 C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.984 2 3 0 -7.24212198010437 2455655 C1=CC(=CC=C1S(=O)(=O)CCC(=O)OCC(=O)NCCC2=C(C=C(C=C2)Cl)Cl)Cl 1 4.268 1 5 -19.898444344989 2455651 C1=CC(=CC(=C1)Br)OCCN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-] 1 3.231 3 4 0 -1.97400333078933 2455613 CC1=NN=C(S1)SCC(=O)NC2=C(C=CS2)C#N 1 1.408 4 1 0 -21.7033845091981 2455597 CN1C(=NN=N1)SCC(=O)N(C)CC(=O)NC2=CC=CC=C2C(F)(F)F 1 1.068 6 2 0 -25.9009034049911 2455593 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=NN3C 1 0.371 8 3 0 -24.0469998307831 2455590 CN(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)OC(F)F 1 5.437 2 1 -3.21020288034867 2455528 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O 1 2.566 2 6 0 -11.7157673992662 2455483 CCC1=C(C(=CC=C1)CC)NC(=O)CNCC2=CC=CS2 1 3.628 2 1 -7.16637171656689 2455450 C1=COC(=C1)CNC(=O)CNCCC2=C(C=C(C=C2)Cl)Cl 1 2.842 2 2 -8.419179895901 2455313 COC1=CC=C(C=C1)CCNCC(=O)NC2=CC=C(C=C2)OC(F)F 1 3.114 2 3 -1.52001969004828 2455287 CCCCOCCCNCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N 1 0.386 3 4 0 -13.4755970055096 2455257 C1CCC(CC1)(CNCC(=O)NC2=CC=C(C=C2)Cl)N3CCOCC3 1 2.625 3 2 -5.81895228080579 2455255 C1=CC(=C(C=C1C2=CSC(=N2)NC(=O)C3=NC=CN=C3)F)F 1 2.097 4 1 -1.80646161570189 2455239 C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O 1 2.93 2 5 0 -16.2301282775651 2455190 CN1CC(=O)N(C1=O)CC(=O)NC2=CC3=C(CCC3)C=C2 1 0.945 3 3 0 -14.2403418753218 2455179 COC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=CC=C(C=C3)Br)OC 1 4.667 2 3 -2.93531267586819 2455103 C1=CC=C(C=C1)CN2C(=C3C=CC=CC3=C4N2C(=NC4=O)C5=CC=CC=C5)O 1 3.323 3 2 -1.24129422355348 2455081 CCC1=CC=C(C=C1)NC(=O)COC(=O)/C(=C/C2=CC=CC=C2OC)/C3=CC=CC=C3 1 5.194 1 4 -7.50005856567222 2455077 COC1=CC(=C(C=C1)/C=C/2\COC3=CC=CC=C3C2=O)OC 1 3.366 0 4 2.76781204534761 2455063 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=CC(=N3)N)N 1 0.744 5 3 0 -6.9082669743534 2455038 CC1=CC(=C(C=C1C(=O)CN2C(=O)C3(CCCCCC3)NC2=O)C)C 1 4.144 2 3 -3.49250475775041 2455027 CC1=CC=C(S1)C(=S)N2CCN(CC2)CC3=CC=CC=C3 1 4.307 2 0 -0.562924681043108 2455007 C1CN(CCN1)CC2=CC=C(S2)Br 1 1.633 2 0 0 -0.463044717799883 2455004 CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CCl 1 3.758 1 1 -4.19587566904642 2454984 CCN(CC)C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=CC=C3 1 4.538 4 0 -7.4106315515364 2454977 CC1=CC=CC(=C1)C(=O)C2=C(SC3=C2CCCC3)N 1 4.143 1 1 -1.48659022565746 2454972 C1CCC2=C3C(=NC(=S)N2CC1)NN(C3=O)C4=CC=CC=C4 1 3.162 4 1 -10.5060651625805 2454970 CC(=O)C1=CC(=C(C=C1)OC)CS(=O)(=O)CC(=O)O 1 0.567 0 6 0 -9.5055881645827 2454968 CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)CCl 1 2.847 2 1 -0.851110803037926 2454966 C1CN(CCN1C2=CC=CC=C2O)C(=O)C3=NC4=CC=CC=C4C=C3 1 3.246 3 2 -1.25076533309918 2454965 CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCl 1 2.139 2 1 -0.304392241730689 2454959 CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)O)C 1 3.939 1 2 -3.63691194668172 2454957 C1CN(CCN1C2=CC=CC=C2O)C(=O)CCOC3=CC=CC=C3F 1 2.92 2 3 -3.04701394095468 2454955 C1CN(CCN1C2=CC=C(C=C2)O)C(=O)C3=CC4=C(C=C3)N=CS4 1 2.715 3 2 -1.82994135830367 2454929 CC(=O)NCCNC(=O)CCNC(=O)C1=CC=C(C=C1)Cl 1 0.202 3 3 0 -15.7610397854741 2454926 C1CN(CCN1C2=CC=C(C=C2)O)C(=O)/C=C/C3=CC=CS3 1 3.052 2 2 -0.944675135519749 2454915 CC1=CC(=NC2=NC(=NN12)C(=O)N3CCN(CC3)C4=CC(=CC=C4)OC)C 1 1.934 6 2 0 -5.85197620410247 2454885 CC1=C(C=CC=C1Cl)NC(=S)NCCCN(C)C 1 3.864 3 0 -6.12772056040514 2454829 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC4=C(CCC4)C=C3 1 3.123 3 3 -10.9670750067048 2454813 CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C2=C(N=CC=C2)SC 1 2.475 3 2 -12.2283054712389 2454783 COC1=CC(=C(C=C1)OC)NC(=S)NCCCN2CCOCC2 1 2.368 3 3 -12.2858248479064 2454780 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=C(C(=CC=C3)OC)OC 1 2.87 2 5 0 -16.8060244521561 2454762 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F 1 2.737 1 5 -12.5804227611607 2454757 COC1=CC=CC=C1N(C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=NC=C4 1 4.068 4 4 0 -6.05937367150102 2454748 COC1=CC=C(C=C1)CCNC(=O)COC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.611 3 5 0 -13.9896063516771 2454711 COC1=CC(=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4)OC 1 4.427 3 2 6.17166563932827 2454709 CC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.802 4 0 4.92819934937082 2454706 C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)F 1 3.521 4 0 5.64007637483607 2454688 C1=CC=C(C=C1)NC2=NN=C(S2)SCN3C(=O)C4=CC=CC=C4C3=O 1 2.963 4 2 -8.19583217409071 2454681 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC 1 1.491 2 6 0 -16.495981218347 2454675 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC(F)(F)F 1 4.245 2 3 -1.30663330960549 2454629 C1COCCN1C2=CC=C(C=C2)C=NNC(=O)C3=CC=CS3 1 2.486 3 2 -6.46907874312305 2454591 C1=CC=C2C(=C1)C=CC=C2NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-] 1 2.395 4 4 0 -11.7790316023337 2454585 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3 1 2.362 2 5 0 -28.6071495389697 2454580 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=CC=C3Br 1 2.082 2 4 -15.0700449669245 2454565 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NC=NC3=C2C=CS3 1 3.33 3 3 -17.6608145284121 2454553 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-] 1 1.338 2 4 0 -12.6886243261664 2454527 C1CN(CCN1CC(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3O 1 2.13 4 3 0 -3.06159966454978 2454503 C1=CC(=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])S(=O)(=O)N 1 1.585 3 7 0 -13.2446751465406 2454495 CCN(CC(=O)NCC1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC(=C2)C(=O)C 1 1.884 2 4 0 -23.6559330929646 2454487 CCCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Br 1 2.508 2 3 -12.5277960557834 2454464 COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3 1 1.613 2 6 0 -20.7925449110064 2454463 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] 1 2.951 1 6 0 -6.85287027412094 2454274 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CN=C4 1 0.919 4 2 0 4.61822042449723 2454258 CC1=CC(=NO1)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.354 3 6 0 -21.3226628664191 2454191 CC(C)(C)NC(=O)COC(=O)C1=CC=CC=C1OC2=CC=CC=C2 1 3.236 1 4 -12.3887266666754 2454176 CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)OC)OC 1 2.84 3 4 0 -21.7747904900529 2454175 C1=CC(=CC=C1NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])SC(F)F 1 1.69 2 4 0 -13.4475794104725 2454169 CCOC1=CC=CC=C1NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-] 1 0.659 2 5 0 -16.8321300733202 2454145 CN1C(=C(C(=O)NC1=O)N2CCN(CC2)C3=CC=CC=C3)N 1 0.375 5 2 0 -1.058549440468 2454139 CC1=C(C(=NN1CC(=O)C2=CC=C(S2)Br)C)[N+](=O)[O-] 1 2.579 3 3 -4.8086556533392 2454126 COCCN(CCOC)C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl 1 1.248 2 7 0 -13.9203514756672 2454114 CC(C)NC(=O)COC(=O)C1=C(N=CC=C1)SC 1 1.401 2 3 0 -21.6203337234197 2454102 CC(C)(C)NC(=O)COC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-] 1 2.235 2 5 0 -13.2867661666819 2454062 CC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OC 1 4.257 3 5 0 -21.9083303251534 2454045 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)OC)OC 1 3.259 2 6 0 -16.6765884304016 2454027 CN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CC=C3OC 1 1.941 4 2 0 -16.1906439122925 2454007 C1=CC(=C(C=C1F)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3)F 1 2.109 4 2 -10.4500039509489 2453995 CC1=NC=C(N=C1)C(=O)NC2=NN=C(S2)C3CC3 1 0.517 5 1 0 -14.4693751470032 2453993 CC1=NC=C(N=C1)C(=O)NCC2=CC=C(C=C2)F 1 1.236 3 1 0 -12.3090548668622 2453988 COC(=O)C1=CC=C(C=C1)NC2=C3C=CSC3=NC=N2 1 3.056 3 2 -2.62018328990843 2453976 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 1.453 4 6 0 -19.4319311882016 2453968 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3)N 1 1.249 4 6 0 -23.8143612669062 2453962 C1COCCN1CCCNC2=NN=NN2C3=CC=CC=C3 1 0.483 6 1 0 -11.1800749832619 2453948 CCCCNC(=O)/C(=C/C1=CN=CC=C1)/C#N 1 1.523 3 1 0 -15.8231996950533 2453922 CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)NC(C)(C)C 1 2.536 2 3 -18.8577229821162 2453915 C1CN(CCN1C(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)F)C(=O)C3=CC=CO3 1 0.492 3 6 0 -15.6414397864015 2453882 C1=CC=C(C=C1)CN(CCO)C2=C3C=CSC3=NC=N2 1 2.857 3 1 -0.97460793069503 2453841 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)CCC3CCCC3)C 1 2.91 4 2 -12.5001006831628 2453790 CC1=CC(=C(C(=C1)C)NC(=O)COC2=NC3=CC=CC=C3N=C2C)C 1 4.194 3 2 -6.3682160986418 2453776 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NCCS4 1 2.871 3 3 -26.886692097825 2453773 CC(C)(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N 1 1.046 2 5 0 -21.4047886245157 2453772 CC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N 1 0.841 2 5 0 -22.8390800106119 2453760 C1CCN(C1)C(=O)COC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl 1 3.208 1 3 -2.81891647426783 2453752 CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)O 1 3.458 3 3 -5.33117474685884 2453706 CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC)C4=CC=CC=C41 1 3.28 3 5 0 -15.3113929449673 2453689 C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CN2 1 2.326 1 3 -7.59592038477332 2453687 CC1=CC=C(S1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC 1 3.901 1 5 -20.9110893685265 2453658 C=CCNC(=S)NC1=CC=C(C=C1)C(=O)N 1 2.131 3 1 -15.2383315403672 2453648 C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3N)C4=CN=CC=C4)[N+](=O)[O-] 1 1.626 6 4 0 -11.0991928172085 2453636 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NN=C4N3C=CC=C4 1 2.97 8 0 0 -10.8945158186628 2453610 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=CC=C(C=C3)C=O 1 2.067 3 2 -12.6238420311861 2453609 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC=CC=C4C3 1 3.13 3 2 -14.9885818098355 2453580 CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CCl)C3=CC=CC=C3 1 4.267 3 1 -1.78604533491595 2453572 C1CCC(CC1)C2=NC(=S)NN2C3=CC=CC=C3 1 4.14 3 0 0.435653610708554 2453571 CC1=C(SC2=C1C(=O)NC(=N2)CC(=O)NN)C 1 -6.2e-002 4 2 0 -10.3583142328625 2453561 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2CC=C 1 2.533 4 2 -19.0929183890982 2453537 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=C(C=CS3)C(=O)N 1 1.775 3 3 0 -7.57865605736054 2453536 C1=CC(=CC=C1NC(=O)CC2=CSC=C2)S(=O)(=O)C(F)F 1 2.659 1 3 -10.80411798398 2453523 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CS4 1 3.12 2 4 -11.9489789618332 2453519 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC 1 2.358 3 5 0 -21.8296855425554 2453516 CCCCN(C1=CC=CC=C1)C(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4 1 5.902 1 3 -4.47409236668059 2453513 CCCN(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)OCC 1 5.836 2 1 -10.687517315725 2453509 COC1=C(C=C(C=C1)NC(=O)COC(=O)CNS(=O)(=O)/C=C/C2=CC=CC=C2)OC 1 0.993 2 7 0 -9.76012421455681 2453505 C1CN(C2=CC=CC=C21)C(=O)CNC3=CC=CC=C3OC(F)F 1 3.361 2 2 -9.7517604679767 2453502 C1COCCN1C2=CC=C(C=C2)C=NNS(=O)(=O)C3=CC=CC=C3 1 2.236 3 3 -2.65278340684294 2453491 C1COCCN1C2=CC=C(C=C2)C=NNC(=O)C3=CC=NC=C3 1 1.382 4 2 0 -6.6226032438999 2453490 CCCC1=CC(=O)N=C(N1)SCC(=O)N(C)C2CCCCC2 1 3.072 3 2 -18.2318515464884 2453488 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC(=O)N4CCOCC4 1 2.315 2 4 -7.78899076146295 2453478 C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=CC(=CN=C3)Br 1 2.2 2 3 -14.2340392318154 2453475 C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)S(=O)(=O)N 1 2.021 5 2 0 -1.15364674738281 2453467 C1=CC=C2C(=C1)C=CC=C2C=NN3C(=NNC3=S)C4=CC=CC=N4 1 3.933 5 0 -1.30599636066502 2453455 C1=CC=C(C(=C1)C2=CC=C(O2)C=NN3C(=NNC3=S)C4=CC=CC=N4)Cl 1 4.894 5 1 1.15793483385518 2453446 C1=CC=C(C=C1)C[C@@H](C2=NC3=CC=CC=C3N2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl 1 4.929 4 3 0 -3.45487426999973 2453434 C1=CC=NC(=C1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)Cl 1 3.689 5 0 -0.189440441274488 2453425 CCOC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4 1 3.742 5 5 0 -8.24823378179893 2453423 C1OC2=C(O1)C=C(C(=C2)C=NN3C(=NNC3=S)C4=CC=CC=N4)[N+](=O)[O-] 1 2.687 6 4 0 -8.29467149597398 2453413 COC1=C(C=C(C=C1)C=NN2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35)O 1 4.146 3 2 3.78534693829772 2453410 CCOC1=C(C=CC=N1)C(=O)N(C)CC(=O)NC2=CC=C(C=C2)C 1 2.087 3 3 -12.9246073821037 2453405 C1=CC=C(C(=C1)C2=CC=C(O2)C=NN3C(=NNC3=S)C4=CC(=CC=C4)Cl)Br 1 6.365 4 1 2.76649747148419 2453399 C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC(=O)NC3=C(N=CC=C3)Cl)O 1 2.711 2 4 -5.5108979016514 2453398 C1=CC=C(C(=C1)C2=CC=C(O2)C=NN3C(=NNC3=S)C4=CC=CC=N4)Br 1 4.978 5 1 -1.82257664098175 2453397 CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC(=O)NCC3=CC=CO3 1 2.934 3 4 0 -15.2023553984629 2453376 CC1=CC=CC=C1C2=NNC(=S)N2N=CC3=CC=C(O3)C4=CC=CC=C4Br 1 6.186 4 1 -1.64861277652624 2453370 C1COCCN1C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=CS3 1 1.477 3 3 0 -13.1444143931075 2453362 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCC3=CC=CS3 1 3.158 3 2 -9.45483315694669 2453350 C1=CC=C(C=C1)C2=C(N=C(S2)NC(=O)C3=CC=CO3)C4=CC=CS4 1 4.717 2 2 -2.31869625631696 2453346 C1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)Cl)/C=C/3\C(=O)N(C(=S)S3)CCC(=O)O 1 4.061 2 5 0 -16.610049249565 2453331 CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.382 2 2 -11.7242121800212 2453325 CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 1.561 3 4 0 -21.2607431681491 2453312 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C)(C)N3CCOCC3 1 1.675 4 3 0 -14.3030228866263 2453310 C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)C3=CC(=CC=C3)O 1 2.992 1 4 -4.24619397722902 2453309 CC1=C(SC(=N1)NC(=O)CCNC(=O)C)CC2=CC3=C(C=C2)OCO3 1 1.15 3 4 0 -15.4708695459688 2453307 CC1=NN(C(=C1C(=O)NCC(C)C)Cl)C2=CC=CC=C2 1 3.198 3 1 -8.10673047008372 2453291 C1CC2=C(C1)C=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 4.708 2 2 1.2325808904046 2453287 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=CC=CC=[N+]3[O-] 1 3.339 2 2 -6.34652597879096 2453286 C1CC2=C(C1)C=C(C=C2)NC(=O)CNC(=O)C3=CC=CC=C3F 1 2.937 2 2 -16.258465150201 2453280 C1=CC=C(C=C1)CC(=O)NC(=O)COC(=O)/C=C/C2=CC=CC=C2Cl 1 3.36 1 4 -4.39564044740584 2453274 CC(C)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CO2 1 2.725 2 3 -13.8324765633305 2453271 CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)CCCC4 1 3.686 4 2 -13.5714298775415 2453261 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC4=CC=CC=C4C=C3O 1 3.427 2 4 -2.75079967664096 2453223 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC(F)F)C)C 1 3.803 1 6 0 -4.955241883288 2453174 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)Cl 1 2.19 2 3 -10.5687763287303 2453165 C1C(=O)NC2=CC=CC=C2N1CC(=O)NC3=C(C(=CC=C3)Cl)Cl 1 2.763 3 2 -14.6963905253196 2453148 C1CCC(CC1)(CNC(=O)C2=CC(=O)NC3=CC=CC=C32)N4CCOCC4 1 1.961 3 3 0 -16.4375053451285 2453110 CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N 1 2.847 3 3 -18.3369471894756 2453098 CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CC2=CSC=C2 1 1.909 2 3 0 -14.8347641087809 2453059 C1CC1C(=O)NCC2=CC=CS2 1 1.455 1 1 0 -12.948785906723 2453053 CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)C3CCCC3 1 1.736 3 3 0 -9.02320173798409 2453041 C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)C3=CC=C(O3)Br 1 3.197 1 4 -5.13537326619507 2453038 CC1=NN=C(N(C1=O)N)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3 1 1.126 5 5 0 -13.1602602693314 2453025 C1=CC(=CN=C1)NC(=O)C2=CC(=CC(=C2)F)F 1 1.875 2 1 0 -3.72261665186063 2452990 CC(=O)C1=CC(=CC=C1)OCC(=O)N2CCCC3=CC=CC=C32 1 2.926 1 3 -11.3582772186177 2452895 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC4=CC=CC=C43 1 1.969 3 3 0 -23.6426920913706 2452899 COCCNC(=O)/C(=C/C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2Cl)/C#N 1 2.663 3 3 -18.1671317112831 2452900 CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)CCCC4 1 4.599 4 2 -13.6298794862876 2452939 COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3(CCCC3)NC2=O)OC 1 1.12 3 5 0 -12.2744615233946 2452936 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)F 1 2.83 2 3 -5.36738007658331 2452887 CC1=CN=C(S1)NC(=O)C2(CC2)C3=CC=CC=C3 1 2.299 2 1 -7.60058241666425 2452882 CN(C)CCNC(=S)NC1=C(C(=C(C=C1)F)F)F 1 3.267 3 0 -5.08638747754468 2452878 CC1CCC(CC1)NC(=S)NCCN(C)C 1 2.906 3 0 -10.1413658513115 2452861 CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)F)C 1 5.68 2 3 -6.11518471548286 2452853 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(O3)[N+](=O)[O-] 1 1.225 3 7 0 -18.5632029889252 2452809 C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=CC=NC=C3 1 1.451 2 3 0 -13.7773083230145 2452804 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)/C=C/C3=CC=C(C=C3)OC(F)F 1 2.607 2 5 0 -10.3795217115227 2452802 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)F 1 4.672 3 0 8.2944385378144 2452801 CC1=CC(=C(C=C1)C)C(=O)CN2C(=O)C(=C(C=N2)Cl)Cl 1 2.866 2 2 3.39352368959203 2452789 CC1=NN(C(=C1C(=O)NC(C)(C)C)Cl)CC2=CC=CC=C2 1 2.944 3 1 -13.3911946544466 2452785 CC1=C(C=CC=C1Cl)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2Cl 1 4.816 2 2 -16.4011122247243 2452690 CN(CC1=CC=CS1)S(=O)(=O)C2=CC(=C(C=C2)OC)Br 1 3.002 1 3 -6.86258120778504 2452667 CN(CCC#N)C(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 4.587 3 1 -7.01483804183854 2452631 CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CNC(=O)C=C4 1 2.539 4 2 -11.2166399638291 2452629 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4 1 4.361 3 2 -8.06992590194117 2452624 CC1=C(NC2=C1C=C(C=C2)C(=O)NCC(C)(C)N3CCOCC3)C 1 2.372 3 2 -6.47928563222538 2452594 CC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 0.697 4 2 0 -21.0177095642807 2452589 COC1=C(C=C(C=C1)CNC(=O)C2=C(C(=CC=C2)Cl)Cl)C(=O)OC 1 3.789 1 4 -10.1674650625604 2452582 COC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=C2Cl)C(=O)OC 1 3.124 1 4 -12.0636258653935 2452551 CCC1=C(C(=CC=C1)CC)NC(=S)NCC2=NC3=CC=CC=C3N2 1 5.689 4 0 -6.93855088335083 2452549 C1CCC(CC1)(CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3CCCCC3 1 3.702 3 3 -11.9631535203702 2452527 CC1=CC(=C(O1)C)C(=O)NC2=NC(=CS2)C 1 1.289 2 2 0 -7.63234285577744 2452523 COCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2 1 2.872 5 3 0 -12.6880052387863 2452495 CSCC1=C(OC2=CC=CC=C21)C(=O)N3CCCC4=CC=CC=C43 1 4.495 1 2 -5.5753156656514 2452448 CCOC(=O)NC(=O)CSC1=NC2=C(N1)C=C(C=C2)C 1 2.751 3 3 -6.16610816563279 2452394 CC1=CC(=NC2=NC(=NN12)SCC(=O)NC(=O)C3=CC=CC=C3Cl)C 1 3.041 5 2 0 -15.0988474194613 2452350 CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2C3=CC=CC=C3N=CC2=O 1 3.985 3 2 -7.08400370902744 2452347 COC1=CC(=C(C=C1)NC(=O)COC2=NC3=CC=CC=C3N=C2N4CCOCC4)OC 1 2.189 4 5 0 -9.78409810005243 2452325 CSCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1 1 2.615 2 1 -4.84856352035878 2452307 CCN(CC)CC1=NC2=C(C(=C(S2)C)C)C(=O)N1 1 1.951 3 1 0 -7.53723321325875 2452272 CN(CC(=O)NC1=CC=C(C=C1)OC)CC(=O)NC2=CC3=C(CCC3)C=C2 1 2.633 3 3 -8.5210077937606 2452268 C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC(=CC=C3)Cl)NC4=CC=CC=C4N 1 5.595 4 0 6.23656245088035 2452267 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 1 4.772 4 4 0 -14.4483833911872 2452227 CN1C(=CC(=C(C1=O)C#N)C2=CC=C(C=C2)F)N 1 1.185 3 1 0 0.271556733445277 2452217 C1CN(CCN1C=O)C(=O)CC#N 1 -1.223 3 2 0 -9.04316389254328 2452215 CC1=C(C(=NN1)C)NC(=O)CNC 1 -0.708 4 1 0 -5.99877285533097 2452200 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCl 1 2.137 3 1 -5.47492804030862 2452161 CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C3=CSC(=N3)N 1 4.523 3 0 4.52401752002772 2452155 CNCC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F 1 2.027 2 1 -5.41593655817021 2452146 CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C4N3C=CC=C4)C 1 2.132 5 2 0 -21.957269439614 2452144 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F 1 3.504 4 3 0 -4.42046268827038 2452101 CN\1C(=O)CS/C1=C\C(=O)NC2=CC=CC=C2OC 1 1.257 2 3 0 -8.8334254497667 2452089 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C3=CSC(=N3)N 1 3.178 3 1 3.74116062036184 2452081 C1=CC(=C(C(=C1)Cl)CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)N=CS4)Cl 1 5.168 4 1 -19.0821123846919 2452071 CC(=O)CN1C(=NC2=CC=CC=C2C1=O)CN3CCCCC3 1 1.54 3 2 0 -6.8452735101751 2452057 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-] 1 3.144 3 4 0 -4.2867402003556 2452051 C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)N=CS4)C#N 1 3.718 5 1 -21.2159543019759 2452036 CCCNC(=O)C1=CC=C(S1)C2=NC3=CC=CC=C3S2 1 4.164 2 1 -4.55134599295889 2452027 CC1CCN(CC1)C2=C3C(=CSC3=NC(=N2)CN4CCCCC4)C5=CC=CC=C5 1 5.379 4 0 -0.517931112362108 2451997 COC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)C=NN3)OC 1 2.225 3 3 -4.89848773095899 2451992 CC1=CC(=NC2=NC(=NN12)C(=O)NCCC3=CC=CC=C3)C 1 2.02 5 1 -12.596136258707 2451975 CC1=CC=C(C=C1)C(=O)NCC(=O)N(C)CC2=CC=C(C=C2)OC 1 2.357 2 3 -12.4091492363935 2451951 CCCCOC1=CC=C(C=C1)C(=S)N2CCC(CC2)C(=O)N 1 3.454 2 2 -5.88933376270565 2451949 COC1=C(C=C(C=C1)C(=S)N2CCC(CC2)C(=O)N)Br 1 2.873 2 2 -5.53164758385486 2451942 CCN1C(=NC2=C1C=CC(=C2)C(=O)N3C=C(C=N3)C(=O)C4=CC=CC=C4O)C 1 3.421 4 3 0 0.609677812413693 2451919 CC(C)CN1C2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C(=O)NC1=O 1 4.24 3 2 -2.65092472939359 2451875 CC1=C(C(=CC=C1)C(C)C)NC(=O)CN(C)CC2=CC(=CC=C2)OC 1 4.203 2 2 -5.57226091270411 2451869 CN(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)C2=CC=CC=C2 1 1.333 3 3 0 -10.6522407710455 2451753 C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Cl 1 4.034 1 3 -7.28413828399678 2451752 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3)OC 1 5.867 3 3 -18.0919393830833 2451727 C1=CC(=C(C=C1NC(=O)CNC(=O)C2=CNC(=O)C=C2)F)F 1 -0.109 3 3 0 -13.8886023188097 2451681 CCCCN(C1=C(N(C(=O)N(C1=O)CC(=O)NC2=CC(=CC(=C2)Cl)Cl)CCC)N)C(=O)C 1 2.377 5 4 0 -11.7498870823625 2451680 CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 3.342 1 4 -5.14661430970843 2451656 CCC(C)(C)NC(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-] 1 2.617 5 3 0 -19.889093523986 2451644 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4 1 3.426 3 3 -14.8178597954486 2451592 C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3F 1 3.566 3 2 -24.587105102514 2451587 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCCC2=CC=C(C=C2)F 1 1.279 3 4 0 -17.8902403118182 2451586 COC1=NC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC 1 3.13 2 3 -4.01645155718184 2451578 CNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N 1 0.114 2 5 0 -17.7136751657279 2451572 CC1=CC=C(C=C1)CNC(=O)C2=CC(=CN=C2)Br 1 2.705 2 1 -6.60030307482358 2451570 CC1=CC=C(C=C1)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 3.602 2 3 -13.3077355910406 2451535 COC1=CC2=C(C=C1)C=CC(=C2CN3CCC(=CC3)C4=CC=CC=C4)O 1 4.639 1 2 4.35021580748328 2451522 C1COCCN1C(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O 1 0.668 1 6 0 -16.3279510761488 2451505 C1CN(CCC1C(=O)N)C2=C3C=CC(=CC3=NC=C2)Cl 1 2.317 3 1 4.07253075239437 2451493 CC(C)N(C1=CC=CC=C1)C(=S)NCC2=CC=CC=C2 1 5.175 2 0 -8.96949295890976 2451482 CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=CN=CC=C2)Br)OCC(=O)N 1 1.451 4 4 0 -13.5295845926392 2451479 CN(C)C(=S)SCC(=O)NCC1=CC=C(C=C1)F 1 3.053 2 1 -10.9092323106588 2451470 CC1=C(C=C(N1C)C#N)C=NNC(=O)C2=CN=CC=C2 1 1.148 5 1 0 -7.47586178340939 2451460 C1CN(CCN1CC(=O)NC2=C(N=CC=C2)Cl)C3=CC=CC=C3F 1 2.514 4 1 -1.32930502318152 2451457 CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 0.839 5 4 0 -11.0875247119181 2451441 CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CN=CC=C3)OC 1 3.623 3 5 0 -15.3322943732416 2451434 CC1=CC(=C(N1CC(C)C)C)C=NNC(=O)C2=CN=CC=C2 1 2.315 4 1 -11.6113372609583 2451426 COC1=CC=C(C=C1)OC2=C(C=C(C=C2)C=NNC(=O)C3=CN=CC=C3)[N+](=O)[O-] 1 2.97 4 5 0 -6.42113753721105 2451423 C1CN(CCN1C2=CC=C(C=C2)O)C(=O)CCC(=O)C3=CC=CS3 1 2.54 2 3 -5.83114654432242 2451420 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)/C=C/C3=CC(=CC=C3)Br 1 5.031 2 1 6.98071915474914 2451405 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CN=CC=C2)OCC#C 1 3.041 3 3 -15.1863244502534 2451392 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CN=CC=C3)OC 1 3.137 3 5 0 -17.0193639643533 2451388 CC1=NN(C(=C1C=NNC(=O)C2=CN=CC=C2)Cl)CC3=C(C=CC=C3Cl)Cl 1 3.836 5 1 -9.4026586875318 2451385 CC1=NN(C(=C1C=NNC(=O)C2=CN=CC=C2)Cl)CC3=CC=C(C=C3)F 1 2.713 5 1 -7.5942230504303 2451384 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CCOC2=CC=CC=C2C 1 2.936 2 3 -11.8362921449408 2451383 CC1=CC(=C(N1CCOC)C)C=NNC(=O)C2=CN=CC=C2 1 0.992 4 2 0 -14.2050498265931 2451378 CCNC(=O)COC1=C(C=C(C=C1)C=NNC(=O)C2=CN=CC=C2)OC 1 0.908 4 4 0 -17.6790390601045 2451375 C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.564 3 3 -12.9815223166337 2451374 CC1=NN(C(=C1C=NNC(=O)C2=CN=CC=C2)Cl)CC3=CC=C(C=C3)Cl 1 3.172 5 1 -7.30023038682721 2451373 C1CN(CCN1C2=CC=C(C=C2)O)C(=O)COC3=CC=CC(=C3)C(F)(F)F 1 3.409 2 3 2.85234793898588 2451372 C1CCN(CC1)C2=NC(=C(S2)C=NNC(=O)C3=CN=CC=C3)C4=CC=CS4 1 3.181 5 1 -5.75944941005693 2451369 CC1=NN(C(=C1C=NNC(=O)C2=CN=CC=C2)Cl)C3=CC(=CC=C3)Cl 1 3.165 5 1 -0.64787885134777 2451367 COC1=C(C=CC(=C1)SC)C(=O)NC2=C(C=NC=C2Cl)Cl 1 3.318 2 2 0.718139253487932 2451364 CC1=NN(C(=C1C=NNC(=O)C2=CN=CC=C2)Cl)CC3=CC=CC=C3 1 2.507 5 1 -9.21830920719992 2451352 CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=NNC(=O)C3=CN=CC=C3)C 1 2.68 5 1 -10.1137198470374 2451345 CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C=NNC(=O)C3=CN=CC=C3)Cl 1 2.987 5 1 -3.81033684088981 2451334 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CN=CC=C2)OCC3=CC=C(O3)C(=O)OC 1 2.76 3 6 0 -16.3974204360535 2451331 CCOC1=NC2=CC=CC=C2C=C1/C=C/C(=O)O 1 2.985 1 3 1.90989707399088 2451328 CC1=C(C(=NN1CC2=CC=CC=C2)C)C=NNC(=O)C3=CN=CC=C3 1 2.194 5 1 -10.837632384008 2451326 CCCOC1=NC2=CC=CC=C2C=C1/C=C/C(=O)O 1 3.509 1 3 3.26394921852658 2451314 CC1=C(SC2=C1C(=NC(=N2)CN3CCCC3)Cl)C 1 3.04 3 0 1.63218348803039 2451301 COC1=C(C=CC(=C1)C=NNC(=O)C2=CN=CC=C2)OCC(=O)NC3=CC=CC=C3Cl 1 2.8 4 4 0 -15.2305838823226 2451295 CC1=CC(=C(C(=C1)C)NC(=O)COC2=C(C=C(C=C2)C=NNC(=O)C3=CN=CC=C3)OC)C 1 3.595 4 4 0 -16.4988073746193 2451294 CC1=CC(=O)NC(=C1C#N)SCC(=O)NCC2CCCCC2 1 2.433 3 2 -20.7154117257332 2451288 CC1=CC(=O)NC(=C1C#N)SCC(=O)N(CCC#N)C2=CC=CC=C2 1 2.005 4 2 -20.0639962649782 2451269 CC1=C(N2C=CC=CC2=C1C=NNC(=O)C3=CN=CC=C3)C(=O)C4=CC=C(C=C4)F 1 3.752 4 2 -7.61243867818801 2451252 COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CN=CC=C3)OC 1 2.932 3 5 0 -14.0909710884913 2451244 COC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=NNC(=O)C3=CN=CC=C3)OC 1 2.119 4 5 0 -15.3780472874587 2451218 CC1=NN(C(=C1C=NNC(=O)C2=CN=CC=C2)Cl)C3=CC=C(C=C3)F 1 2.706 5 1 -2.91016322109075 2451213 C1=CC=C(C=C1)C(=O)NC(=S)NN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4 1 2.943 6 2 0 -9.58253603516919 2451170 CCOC(=O)C1=C(C2=C(S1)N=C(NC2=S)C)C 1 2.496 2 2 -14.2331485916181 2451164 COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)O 1 2.059 1 5 -3.90030458201381 2451156 CCOC(=O)C1=C(SC(=C1CN2CCOCC2)C(=O)N(C)C)N 1 0.54 3 4 0 -5.79045606466051 2451137 CC1=CC(=C(C=C1)C)NC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.156 4 1 -0.882946976959444 2451119 CC(=O)C(=NOCC1=CC=C(C=C1)C#N)C(=O)NC2=CC=CC=C2OC 1 2.255 3 4 0 -7.33793859352442 2451102 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CO 1 3.629 1 2 -12.4773841301225 2451099 CC1=CC(=C(C=C1)C)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3 1 3.047 3 2 -14.0545446635886 2451089 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCCCN(C)C 1 2.764 4 1 -12.0351230077782 2451070 COC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)OC 1 1.503 3 6 0 -18.1225190797347 2451052 CSC1=CC(=C(C=C1)Cl)C(=O)NC2CCCC2 1 3.646 1 1 -3.09554320470846 2451037 C1=CC=C2C(=C1)C=NN=C2OCC(=O)NC3=C(C=C(C=C3)Br)F 1 3.233 3 2 -1.48509042613755 2451027 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC2=CC=CC3=C2N=CC=C3 1 2.388 3 3 -15.5411304213038 2451006 C1=CC(=CC=C1NS(=O)(=O)C2=C(C(=C(C=C2)F)F)F)N3C=NN=N3 1 1.821 5 2 0 -12.3783371167011 2450965 COC1=C(C=C(C=C1)Cl)C(=O)NN=CC2=CC=C(C=C2)N3CCOCC3 1 3.181 3 3 -4.42271318338145 2450951 CC(=O)NC1=CC=C(C=C1)OCC(=O)NCCC2=CC=CC=C2 1 1.898 2 3 0 -12.3640132131639 2450904 CN(C1=CC=CC=C1)C(=O)COC(=O)CNC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 1.976 3 5 0 -15.305976414036 2450867 CC1=CC=CC=C1OCC(=O)OCC(=O)NCC2=CC=CS2 1 2.39 1 4 -15.6437897005358 2450866 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C(=O)C(NC3=O)(C)C)C 1 1.709 4 3 0 -4.81239696986259 2450864 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC(=O)CC3=NNC(=O)C4=CC=CC=C43 1 3.302 3 4 0 -20.3919301622164 2450841 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)NC(=O)C4=CC=CO4 1 4.304 2 7 0 -16.7486792714663 2450838 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CO4 1 3.419 3 4 0 -6.94956407672002 2450820 CC(C)(CNC(=O)C1=CC(=O)NC2=CC=CC=C21)N3CCOCC3 1 0.829 3 3 0 -16.4443623676847 2450814 CCOC1=C(C=CC=N1)C(=O)NCC2=CC=C(C=C2)C 1 2.828 2 2 -11.8213835109974 2450811 CC(=O)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.273 3 2 -7.26133574509315 2450788 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3)OCC 1 2.485 3 6 0 -19.4039182271526 2450775 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 2.084 6 4 0 -14.5612319925878 2450741 CC1=CC=C(O1)CN(C)C(=O)C2=CC3=C(C=C2)SCC(=O)N3 1 1.503 2 3 0 -13.048461042078 2450723 CC(=O)NCCNC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-] 1 2.243 3 4 0 -9.08818261133085 2450700 CC1=CC=C(O1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.117 2 4 -16.7344855434039 2450699 C1CN(CCN1C(=O)COC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CS4 1 2.358 2 4 -17.654435451199 2450685 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.067 3 5 0 -22.2523467209424 2450669 CCC(=O)C1=CC=C(C=C1)OCC(=O)N(C)CC(=O)NC2=CC(=CC=C2)F 1 2.328 2 4 -12.7797250093526 2450661 CC1=NN=C(S1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 2.878 3 1 -14.5124401112135 2450658 CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)/C=C/C2=CC=CS2 1 1.77 3 3 0 -14.1676065011199 2450656 CN(CC(=O)NC1=CC=CC2=CC=CC=C21)C(=O)/C=C/C3=CC=CS3 1 3.21 2 2 -9.26545399070419 2450652 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3 1 4.168 3 2 -24.9753853426298 2450650 CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=CC=CC=C3C=C2 1 2.627 2 3 -7.53470249199849 2450649 CN(CCC1=CC(=C(C=C1)OC)OC)C(=S)NC2=CC=C(C=C2)SC(F)F 1 6.283 2 2 -9.46242018877661 2450648 CCOC1=CC=C(C=C1)OCCC(=O)NC2=C(C=C(C=C2)F)C 1 3.722 1 3 -8.51086778570823 2450646 CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CN=CC=C2 1 3.838 3 2 -15.1924198138415 2450626 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)/C=C/C2=CC=CC=C2 1 3.368 2 2 -10.8435576873824 2450622 CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC3=CC=CC=C3C=C2 1 2.772 2 3 -5.4060555696719 2450620 C1=CC=C(C=C1)C2=CN(C(=S)N2)N=CC3=CC=CC4=CC=CC=C43 1 4.315 3 0 1.03523687450626 2450607 CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)/C=C/C2=CC=CO2 1 3.35 2 3 -6.67105011555314 2450594 CC1=C(C(=NN1C2=CC=C(C=C2)F)C)/C=C/C(=O)N3CCNC(=O)C3 1 1.45 4 2 0 -15.3318872362342 2450587 CCOC1=CC=CC=C1NC(=O)C2=C(OC(=N2)C3=CC=CC=C3)C 1 3.343 2 3 -0.867551048277341 2450552 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC(=C3C)N4C=NN=N4 1 3.002 6 4 0 -23.0834648503045 2450546 COC1=CC=CC=C1NC(=O)CN(CC2=CC=CO2)C(=O)C3=CC(=CN=C3)Br 1 2.227 3 4 0 -15.5510838550588 2450544 CCOC1=C(C=CC=N1)C(=O)N2CCCSC2=NC3=CC=C(C=C3)C(=O)C 1 3.408 3 3 -16.4848187388193 2450538 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3C4=CC=CC=C4 1 5.358 1 3 -2.34817122289004 2450527 C1=CC(=CN=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CC#N 1 0.644 4 2 0 -13.1935722331245 2450523 C1CN(CC(=O)N1)C(=O)/C=C/C2=C(C=CC(=C2)Br)F 1 1.544 2 2 0 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C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=C(N3C4=CC=C(C=C4)F)C(=O)O 1 3.121 3 5 0 -13.753968974354 2447482 CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)N 1 1.563 2 3 0 -10.9618463121569 2447451 CCCCNS(=O)(=O)C1=CC=C(C=C1)OC 1 2.053 1 3 -7.57795248226033 2447447 CC1=NN(C(=C1)NC(=O)NC2=CC(=CC=C2)Cl)C(C)(C)C 1 3.175 4 1 -5.47105292173993 2447380 CC1=CC=C(C=C1)CN(C)CC(=O)NC2=CC3=C(CCC3)C=C2 1 4.083 2 1 -7.18111454238103 2447361 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)O 1 2.573 2 4 -14.5009260201908 2447283 C1=CC=C(C(=C1)NC(=O)CCNC(=O)C2=CC=CO2)OC(F)F 1 2.123 2 4 -13.6454368223624 2447325 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl 1 2.181 2 6 0 -15.1458716975988 2447300 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NC3=C(C=CS3)C(=O)N 1 0.985 3 3 0 -18.049299386152 2447253 CN(C)C1(CCCCC1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N 1 2.26 3 3 -14.0053044485856 2447227 COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=N2)OC 1 1.859 2 3 0 -11.4764613556917 2447162 CCCN(CC1=CC=CC=C1)C(=S)NC2=CC=CC(=C2C)C 1 6.476 2 0 -7.94788989870621 2447121 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.03 3 4 0 -18.4320075615233 2447113 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F 1 1.611 3 5 0 -20.8980166953403 2447075 C1=CC(=C(C=C1Cl)Cl)CCNC(=O)CN2C=NN=N2 1 1.433 5 1 0 -23.1317307126167 2447060 CCC(C)(C)NC(=O)/C=C/C1=NC2=CC=CC=C2N=C1 1 2.853 3 1 -5.22620005426367 2447047 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CNC(=O)C=C3 1 0.455 3 4 0 -22.4590370622474 2447004 CCCCN1C(=NC2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C 1 1.945 3 3 0 -19.6743473422429 2447006 C1=C(C=C(C2=C1N(N=N2)O)C(=O)O)[N+](=O)[O-] 1 -1.258 4 5 0 -4.73288602966452 2447016 C1CC1C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C#N 1 2.531 3 1 -1.52685361025267 2446972 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=S)NCCC3=CC=CC=C3 1 3.979 3 1 -14.2546699607607 2446951 C1=CC=C(C=C1)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F 1 3.263 1 2 -2.20298163547726 2446949 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4 1 2.375 1 6 0 -9.46747317086377 2446931 C1CN(CCC1C(=O)O)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl 1 3.845 3 4 0 -22.1770602916718 2446916 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC3=C(C(=CC(=C3F)F)F)F 1 2.814 4 2 -4.82286286937372 2446910 C1CN(CCN1C(=S)NC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 5.41 3 2 -20.2241231573061 2446892 C1=CC(=CC=C1CCNC(=O)C2=CN=C(C=C2)Cl)S(=O)(=O)N 1 1.371 3 3 0 -14.1040853662844 2446878 CC1=CC=CC(=C1)C(=O)NCCC(=O)NCC2=CC=CC=C2F 1 2.621 2 2 -17.3327102886646 2446872 CCCOC1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)CC3=CC4=C(C=C3)OCO4)C 1 4.363 2 4 -9.07044255093789 2446866 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CCC2=CNC3=CC=CC=C32 1 3.424 3 2 -18.0285726554437 2446861 C1=CC=C2C(=C1)C=CC=C2OC3=C(C=C(C=N3)C(F)(F)F)Cl 1 5.293 1 1 8.62707741912206 2446854 CCC(CC)NC(=O)CON=CC1=CC=CC=C1OC(F)F 1 3.334 2 3 -3.99223983855538 2446850 CCC1=NN=C(S1)NC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.085 4 3 0 -27.1207494429639 2446846 CC(C)CCNC(=O)CON=CC1=CC=CC=C1OC(F)F 1 3.141 2 3 -8.78119150862687 2446836 C1CCC(C1)NC(=O)CON=CC2=CC=CC=C2OC(F)F 1 2.963 2 3 -3.68023260293222 2446824 CCC1=C(C(=C(N1)C(=O)O)C)C(=O)OC 1 1.998 1 4 0 -6.65696603866491 2446818 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC(=O)CC3=CC=C(C=C3)Cl 1 4.539 1 3 -1.89545678292968 2446781 CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)CN2C=NC3=CC=CC=C32 1 2.827 3 3 -12.4121039188874 2446755 C1=CC(=C(C(=C1)F)C=NNC(=S)NC2=CN=CC=C2)F 1 3.346 4 0 -6.18392032351955 2446737 CCCC1=CC(=O)N=C(N1)SCCOC(=O)C2=CC=CC=C2 1 3.451 2 3 -16.5594423273916 2446712 CCN1C(=NN=C1SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C5=CC=C(C=C5)Cl 1 5.241 5 1 -5.38690983788693 2446706 C=C1C2=CC=CC=C2NC(=S)N1CC3=CC4=C(C=C3)OCO4 1 4.402 2 2 -0.799168998804144 2446698 C1CN=C(SC1)NC2=CC=CC=C2C(F)(F)F 1 3.235 2 0 -5.74073130283653 2446670 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC=CC=C2Cl 1 3.035 2 2 -6.19232154209334 2446597 CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCl)C 1 4.573 1 1 -1.81247369493339 2446596 COCCNC(=O)CSC1=CC=CC=C1C(=O)O 1 0.93 1 4 0 -17.497682503938 2446594 CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)O 1 1.583 0 4 0 -12.5753438383337 2446584 CCN(CC)CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NN 1 8.7e-002 4 3 0 -10.9801031887196 2446579 CCC1=CC=C(C=C1)C2=NN(C=C2C=O)CC3=CC=CC=C3 1 4.712 2 1 -0.519800622266324 2446560 C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CN=CC=C4)OC5=CC6=C(C=C5)OCO6 1 4.832 3 3 -2.27178000143666 2446553 CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCl)C 1 4.573 1 1 -2.88427914481798 2446550 CC(=O)NC1=CC=CC=C1OCC(=O)NCC(F)(F)F 1 1.001 2 3 0 -17.1260873888913 2446536 COC1=C(C=C(C=C1)CNC2=NC=CC=N2)OC 1 1.459 3 2 0 -5.64228723582581 2446512 C1=CC(=CC(=C1)NC(=O)CCNC(=O)C2=CC=CO2)C(F)(F)F 1 2.26 2 3 -7.62347252069578 2446502 C1CCC(C1)NC(=O)CON=CC2=CC=C(C=C2)OC(F)F 1 2.963 2 3 -2.59005985509424 2446492 CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.249 2 3 -10.27733331736 2446477 COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)OC 1 2.205 2 5 0 -12.1306013569396 2446441 CC1=CC(=C(C=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)C)C)Br 1 3.605 2 2 -7.56435216888458 2446404 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3NCC4=CC=CO4 1 2.663 2 6 0 -13.6608357749738 2446403 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC(=O)/C=C/C3=CC=C(C=C3)Cl 1 4.972 1 3 1.01704428460609 2446392 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=O)C4=CC=CO4)CN5CCCCC5)C 1 3.6 5 2 0 -4.36026883585461 2446385 CCCN(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)F 1 5.709 2 0 -9.01475023261477 2446375 CC1=C(C(=C(C=C1)C)OC(=O)C2=CN=C(C=N2)C)C 1 3.13 2 2 -7.60036855354291 2446358 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC(=O)CC3=C(C=CC=C3Cl)Cl 1 5.203 1 3 -4.313297094193 2446351 COC1=CC=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CS4 1 4.397 3 1 4.45678888593739 2446311 CC1CCC(CC1)NC(=O)COC2=CC=CC=C2C(=O)N 1 1.985 2 3 0 -12.4484447429784 2446302 C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 1.003 3 6 0 -15.9870696764554 2446299 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=NC3=CC=CC=C3C=C2 1 3.261 3 2 -15.40251183604 2446277 CC1=C(N=C(S1)NC(=O)CN2C=NN=N2)C3=CC=C(C=C3)Cl 1 1.53 6 1 0 -16.0725271009402 2446276 C1CC2=CC=CC=C2N(C1)C(=O)CON=CC3=CC=CC=C3Cl 1 3.733 2 2 -5.04374294258069 2446271 CCC1=NC2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)C)N=C1CC 1 2.712 5 1 -14.2818116986317 2446251 CN(CC(=O)NC1=CC=CC2=CC=CC=C21)C(=O)C3=C(C=C(C=C3)F)F 1 3.199 2 2 -5.4995664618372 2446249 CC1=NN(C(=C1C=NNC(=S)NC2=CC=C(C=C2)F)N3CCCC3)C4=CC=CC=C4 1 5.548 6 0 -3.77483298516449 2446246 CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=CC(=C(C=C3)OC)OC 1 3.057 2 3 -12.6916365638568 2446244 CC(=O)NC1=CC=C(C=C1)NC(=O)COC2=CC3=C(CCC3)C=C2 1 2.627 2 3 -9.78132726773199 2446233 COC1=CC(=CC=C1)OCC2=NN=C(O2)C3=CC=CS3 1 2.826 2 3 -9.24996918908352 2446225 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC 1 3.285 2 4 -12.783023232281 2446223 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C)C 1 4.036 2 3 -15.1508283630595 2446191 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=CC(=C(C=C3)OC)Cl 1 3.002 3 4 0 -10.4274630630835 2446182 CC1=CC=CC=C1N2C(=NN=N2)SCC3=CC(=O)N4C=CSC4=N3 1 2.151 6 1 0 -28.5254721485784 2446173 CC(C)CCN(CC(=O)NCC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.94 2 6 0 -27.3332327435438 2446169 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)CC(=O)NCCC3=CC=CC=C3 1 3.426 2 3 -17.2241829233849 2446151 CN(C)C1(CCCCC1)CNC(=S)NC2=CC=CC=C2C(F)(F)F 1 5.307 3 0 -6.99696354638209 2446134 C1=CC=NC(=C1)C2=NC(=CS2)C3=CC(=C(C=C3)F)F 1 3.846 2 0 7.4789216433624 2446123 C1CN(CCN1C(=S)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.502 3 2 -21.8794531440369 2446119 C1CN(CCN1C(=S)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.682 3 2 -26.1644264439142 2446118 C1CN(CCN1C(=S)NC2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 4.746 3 2 -21.2708711190695 2446114 CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.686 3 2 -21.4060483926463 2446102 CC1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C 1 1.809 2 4 0 -13.0303989554489 2446095 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F 1 2.76 3 3 -5.70573693145192 2446079 CCNC(=S)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 1 4.301 4 0 -2.64275683419088 2446071 CC1=CC(=C(C=C1)OC)NC2=NC(=CS2)C3=C(NC4=CC=CC=C43)C 1 4.595 3 1 7.05541507794862 2446069 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3=CNC(=O)C=C3 1 1.189 3 4 0 -14.5526861339256 2446056 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NN=C(S2)C 1 0.846 4 3 0 -17.8877987636313 2446043 CN(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2N)COC3=CC=C(C=C3)OC 1 2.378 5 3 0 -18.5553655781764 2446031 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=CC=C(C=C3)F 1 3.859 5 0 0.926030620344657 2446020 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CCCCCC2 1 2.849 2 3 -13.9865458683463 2446018 C1CN(C2=CC=CC=C21)C(=O)CON=CC3=CC=C(C=C3)OC(F)F 1 3.418 2 3 -5.35196188327701 2446017 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=CC=CC=C3 1 3.653 5 0 -0.877424627449114 2446015 C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.238 2 3 -3.35832697080189 2445991 C1=COC(=C1)C(=O)NC2=NC3=C(S2)C=C(C(=C3F)F)F 1 3.251 2 2 -1.93416459668604 2445981 CC1=C(C(=CC=C1)NC(=O)COC(=O)CC2CCCC2)C 1 3.545 1 3 -8.18335638722241 2445974 COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=COCCO2)OC 1 0.202 1 7 0 -15.6153094107744 2445967 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCCC3 1 3.001 2 6 0 -19.2603976607239 2445929 CCC1=CC=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F 1 2.694 1 3 -14.5001275504566 2445888 COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F)OC 1 0.849 3 7 0 -23.14424083413 2445886 CN(C)C(=O)COC(=O)/C=C/C1=CC=CC=C1[N+](=O)[O-] 1 1.313 2 5 0 -5.84313267891597 2445882 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F)C 1 3.201 5 5 0 -17.9962443315785 2445868 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCCCC2=CC=CC=C2 1 1.282 3 4 0 -18.9053771707428 2445853 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.104 4 4 0 -17.5027540116372 2445833 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)C2=CC3=CC=CC=C3O2 1 3.495 2 3 -6.64425173469032 2445829 CCN(C1=CC=C(C=C1)NC(=O)CCNC(=O)C2=CC=CO2)C(C)C 1 2.555 3 3 -15.7317262993776 2445820 C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CN=CC=C4)OC5=CC=C(C=C5)Cl 1 5.728 3 1 1.77541633668668 2445798 CC1=CN=C(S1)NC(=O)CCC2=CC(=C(C=C2)OC)OC 1 2.215 2 3 -11.3599942154385 2445788 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 3.052 2 4 -13.524921091313 2445782 CC1=CN=C(S1)NC(=O)CCCC2=NC3=CC=CC=C3S2 1 2.773 3 1 -5.59599058362466 2445755 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCC3=CC=C(C=C3)F)C 1 3.303 1 3 -11.8529503676069 2445745 CC1=CC(=CC(=C1OC(=O)C2=NC=CN=C2)Cl)Br 1 3.288 2 2 -2.34554306438188 2445726 C1C(=O)NC2=CC=CC=C2N1C(=O)CNC(=O)C3=CC(=CC=C3)Cl 1 1.351 3 3 0 -14.5903378082665 2445725 CC1=NC=C(N=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)Cl 1 3.494 5 1 -21.3162773941047 2445696 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC(=O)/C=C/C3=CC(=CC=C3)Cl 1 4.972 1 3 2.09444573741519 2445653 COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC 1 2.416 2 8 0 -15.8420837316162 2445645 C1CN(CCC1=O)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl 1 2.318 1 3 -7.63203397259676 2445644 C1=CC=C(C(=C1)C=NOCC(=O)NCC2=CC=CS2)OC(F)F 1 2.884 2 3 -7.91330205569979 2445624 CC(C)(C)NC(=O)C1=NC2=CC=CC=C2S1 1 2.459 2 1 -8.28290821554992 2445561 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=O)NC2=O)CCOC)N 1 -0.351 4 6 0 -12.9696128952801 2445522 CC1=CC(=CC(=C1)C(=O)OCC(=O)NCC(F)(F)F)C 1 2.725 1 3 -15.1004703274569 2445496 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.371 2 5 0 -7.48168709108526 2445490 C1=CC=C2C(=C1)C=CC=C2OCN3C(=O)C4=CC=CC=C4N=N3 1 4.355 3 2 -15.4417981198881 2445448 CC(=O)C1=CC(=C(C=C1)OC)CN2C=NC3=C(C2=O)C=NN3C 1 1.037 4 3 0 -8.84412572029156 2445409 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=C(C(=C(N3)C)C(=O)C)C 1 3.342 1 5 -10.5425594981889 2445407 C1C(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=C(C(=CC=C3)Cl)Cl 1 2.658 2 3 -13.3030216563958 2445406 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC(=O)/C=C/C3=CC(=CC=C3)F 1 4.513 1 3 1.40532994127569 2445399 C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)COC(=O)C3=CC(=CC=C3)Cl 1 5.21 1 4 -6.61709975721812 2445391 CC1CCN(CC1)CC2=C(SC(=C2C)C)NC(=O)C3=CC=CO3 1 3.67 2 2 -6.35253274450479 2445379 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC3=CC=CC=C3O2 1 2.874 2 4 -5.45037115773456 2445369 CCC(=O)C1=CC=C(C=C1)OC(=O)C2=NC=CN=C2 1 1.796 2 3 0 -11.5533771605794 2445342 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCC(=O)C3=CC=C(C=C3)F 1 3.239 2 2 -3.50173623879485 2445309 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43 1 0.857 5 3 0 -21.8187197960491 2445307 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl)C 1 3.281 1 5 -13.9169236170121 2445266 COC1=CC(=C(C=C1)OC)NC(=O)C2=NC3=CC=CC=C3S2 1 3.072 2 3 -4.72744972463547 2445262 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.476 3 7 0 -22.0357778495836 2445240 C1CN(CCC1=O)C(=S)NCCC2=CC=CC=C2 1 2.862 2 1 -12.6801302954359 2445236 CC1=CC=C(C=C1)NC(=O)NC2=NC=NC3=C2NC=N3 1 1.48 6 1 0 -3.57595554730542 2445208 COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC 1 2.26 2 8 0 -15.8045898940388 2445171 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CCSC2=CC=CC=C2)C 1 3.803 1 5 -13.1536053662417 2445122 C1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br 1 4.408 3 3 -7.40235527746062 2445100 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.336 2 9 0 -12.5712313971667 2445057 CC(C)CNC(=O)CN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 1.853 2 3 0 -8.32171392623611 2445040 CCCCN1C2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC)C(=O)N(C1=O)C 1 3.828 3 5 0 -9.51902559821003 2444994 CCN1C2=C(C(=C(S2)C(=O)C3=C(C=CC(=C3)F)F)N)C(=O)NC1=O 1 2.265 3 3 -5.89420937387963 2444991 CC(=O)C1=C(C2=C(S1)N(C(=O)NC2=O)C3=CC=CC=C3)N 1 1.418 3 3 0 -6.05153719881856 2444980 COC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N(C(=O)NC3=O)CC=C)N 1 2.106 3 4 0 -11.4008411525598 2444963 CC1=CC=CC(=C1)C(=O)NCC(=O)N2CC(=O)NC3=CC=CC=C32 1 1.172 3 3 0 -16.8854003781531 2444951 C1C(=O)NC2=CC=CC=C2N1C(=O)COC3=CC(=CC=C3)F 1 1.667 2 3 0 -9.41948716326513 2444929 C1=CC(=C(C(=C1)Cl)Cl)S(=O)(=O)NC2=CC3=C(C=C2)C=NN3 1 3.29 3 2 -1.65702105625952 2444903 C1=CC(=CC=C1COC(=O)CNC(=O)C2=CC=C(O2)Br)Br 1 3.04 1 4 -11.2205921248963 2444893 CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=C(N=CC=C2)Cl)C 1 4.122 1 3 -7.421663216428 2444891 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CSC2=NN=NN2C 1 1.042 6 4 0 -32.3961774381805 2444887 C1=CC(=CC=C1N2C(=C(C(=N2)CC#N)C#N)N)F 1 1.861 5 0 0 -1.52803613951066 2444884 C1=CC=C(C(=C1)NC(=O)COC(=O)CNC(=O)C2=CC=C(O2)Br)OC(F)F 1 2.15 2 6 0 -16.4311328781792 2444883 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4 1 2.548 3 4 0 -14.8697923032896 2444874 C1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])[N+](=O)[O-])F 1 0.426 3 6 0 -14.5212421316789 2444871 C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C=NN3 1 1.961 3 2 0 -2.65498789822228 2444869 C1=CC=C(C(=C1)CNC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl)Cl 1 4.299 1 3 -12.5832896388806 2444866 C1=CC2=C(C=C1NS(=O)(=O)C3=CC=C(S3)Cl)NN=C2 1 2.207 3 2 2.84133535927892 2444862 C1=CC(=CC(=C1)Br)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-] 1 1.075 2 4 0 -11.1194909870347 2444857 C1=CC(=C(C=C1Cl)S(=O)(=O)NC2=C(C=NC=C2)Cl)Cl 1 3.16 2 2 -0.337614685401638 2444855 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 1.969 5 3 0 -4.73367337285775 2444852 CCCS(=O)(=O)NC1=CC2=C(C=C1)C=NN2 1 1.257 3 2 0 -4.95829963849702 2444838 CCOC(=O)C(=O)C1=CSC(=N1)NC(=O)CCSC2=CC=C(C=C2)C 1 3.258 2 4 -7.26730415944095 2444836 CC1=NN(C(=C1/C=C(\C#N)/C(=O)N)Cl)C2=CC=CC=C2Cl 1 2.771 4 1 -8.2470762261664 2444823 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54 1 3.888 4 3 0 -7.78210098735703 2444822 C1=CC(=CC=C1CNC(=O)CON=CC2=CC=C(C=C2)OC(F)F)F 1 3.35 2 3 -3.44437987975748 2444814 C1=COC(=C1)CNC(=O)CON=CC2=CC=C(C=C2)OC(F)F 1 2.326 2 4 -6.03096991370244 2444803 C1CCC(CC1)NC(=O)CON=CC2=CC=C(C=C2)OC(F)F 1 3.419 2 3 -2.94452836926232 2444784 C1CCCC(CC1)NC(=O)CON=CC2=CC=C(C=C2)OC(F)F 1 3.875 2 3 -2.94452836926232 2444783 COC1=CC=CC=C1NC2=NN=C(S2)SCC3=NN=C(O3)C4=CC(=C(C(=C4)OC)OC)OC 1 3.31 5 5 0 -12.6982158022417 2444737 C1CCC(CC1)NC(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 3.309 4 2 -3.16518470001698 2444722 COC1=C(C=C(C=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC=CC=C2)OC 1 1.051 2 7 0 -18.4347353055525 2444719 CC1=CC(=CC=C1)N2C(=C(C(=N2)CC#N)C#N)N 1 2.141 5 0 0.843531082041481 2444711 C1=CC(=C(C(=C1)Cl)Cl)S(=O)(=O)NC2=C(C=NC=C2)Cl 1 3.16 2 2 -2.22135955611986 2444697 C1=COC(=C1)/C=C\2/C(=O)N(C(=N2)SCC(=O)N)C3=CC=C(C=C3)OC(F)F 1 3.039 3 4 0 -14.2448045379598 2444696 C1=COC(=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)Cl 1 1.66 3 6 0 -15.1755822417336 2444687 C1=CC=C2C(=C1)C(=O)N=C(N2)SCCCC(=O)C3=CC=C(C=C3)F 1 4.061 2 2 -10.0507808390875 2444665 CCOC1=CC=C(C=C1)OC2=C(C(=NN2C3=CC=CC=C3)C)C=NNC(=O)COC4=CC=CC=C4OC 1 5.028 4 5 0 -7.17315935505468 2444602 C1=CC=C(C=C1)CNC(=O)NC(=O)COC2=CC=CC(=C2)C#N 1 2.115 3 3 -9.95822697334794 2444522 CC(C)OC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2OC 1 3.315 1 3 -11.0006368163477 2444515 CCN(C1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)Cl)C(C)C 1 3.574 3 1 -10.1127842630102 2444505 CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 3.559 2 3 -1.28653249411769 2444487 CC1=CC=C(C=C1)C2=C(SC(=N2)C3=CN=CC=C3)CC(=O)NC4=CC5=C(C=C4)N=C(S5)C 1 4.948 4 1 -0.111020020680357 2444453 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=N3 1 3.004 3 1 -3.18433164390426 2444451 CC1=C(C(=CC=C1)C)NC(=S)NN=CC2=CC=CC=C2C(=O)O 1 4.688 3 2 -7.69913243756694 2444424 C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 3.06 2 5 0 -15.2002890742859 2444396 CC(C)C1=CC=CC=C1NC(=S)NCC2=CC=CC=C2F 1 5.495 2 0 -8.38378631699247 2444373 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CO3 1 2.875 3 4 0 -27.4690287375355 2444370 C1CN(CCC1NC(=S)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4 1 3.703 3 2 -6.37306954961969 2444364 CCOC1=C(C=C(C=C1)CN(C)C(=S)NCCC2=CC=CC=C2)OC 1 4.997 2 2 -12.3934487114627 2444361 CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C 1 2.612 3 2 -24.7415354511224 2444347 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4 1 3.615 3 4 0 -25.8316066393659 2444344 C1CN(CCN1C(=S)NC2=CC=CC=C2)S(=O)(=O)C3=C(C(=C(C=C3)F)F)F 1 4.248 3 2 -20.5059524308669 2444326 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CNC(=O)C2=CC=CC=C2F 1 1.129 3 4 0 -17.355849768586 2444301 C1=CC(=CC(=C1)Cl)NC(=O)CNC(=O)C2=CC=CO2 1 1.734 2 3 0 -7.84754557284998 2444277 CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F 1 1.697 3 3 0 -15.1374365957862 2444258 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCC3=CC=CS3 1 4.524 2 1 -5.99433125562448 2444257 C1CN(CCC1C(=O)NCC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3 1 2.416 2 3 -21.140598309935 2444242 CSCC(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCCO3 1 2.161 2 3 -5.71860996502193 2444238 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)S(=O)(=O)C(F)F 1 2.734 2 5 0 -14.3179997098375 2444234 C1=CSC(=C1)CCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F 1 4.243 2 1 -5.28245423015923 2444220 CSC1=CC=CC=C1C(=O)NCC2(CCCCC2)N3CCCCC3 1 4.35 2 1 -14.2604024664028 2444212 CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=N1)SCC(=O)NC(C)(C)C 1 3.611 3 1 -19.5979591408741 2444158 CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=S)NCCC2=CC=CC=C2 1 4.632 2 3 -7.37899404246324 2444155 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C(=C(C=C3)F)F)F 1 3.702 2 4 -8.83614697198102 2444076 CC1=CC(=CC=C1)NC(=S)N(C)CC2=CC(=CC=C2)OC 1 5.101 2 1 -3.08835867020057 2444065 CC1=C(SC(=N1)NCC2=CC=CC=C2OC)C(=O)N(C)C 1 1.718 3 2 0 -7.81468760050195 2444064 CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 3.069 3 2 -20.7497084978989 2444051 COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 3.449 1 5 -4.94166271840538 2444039 C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)N 1 3.177 2 3 -6.27996148407837 2444028 CC(C)(CNC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl)N3CCOCC3 1 3.47 2 2 -4.33512086760025 2444004 CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2=CC3=CC=CC=C3O2 1 3.331 2 4 -8.32140808388198 2443926 C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.361 3 2 -26.1402087082048 2443909 CN(C)CCCNC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 4.273 3 1 -6.64983612242718 2443906 C1CCC(CC1)CNC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 6.261 2 1 -5.67284481796096 2443897 CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C 1 2.349 4 3 0 -25.4551618181472 2443858 COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.542 1 4 -4.39344177548297 2443855 CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C 1 2.957 4 4 0 -13.5498189806322 2443807 CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2 1 1.286 2 3 0 -19.6742186679898 2443805 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=O)NC4=CC=CC=C43)C 1 3.228 3 2 -3.68519044502463 2443775 CC1=CC=C(C=C1)C2=CSC(=N2)N(C3=CC=CC=C3OC)C(=O)C4=CC(=CN=C4)Br 1 5.408 3 2 -3.3773794072506 2443735 C1=CC(=C(C(=C1)Cl)S(=O)(=O)NC2=CC=C(C=C2)CC(=O)O)Cl 1 3.311 1 4 -3.52634919864397 2443733 C1=CC=C(C=C1)CN(CCC(=O)O)S(=O)(=O)C2=C(C=C(C=C2)Cl)F 1 3.13 1 4 -7.46822363486272 2443723 C1=CC=C(C=C1)CN(CCC(=O)O)S(=O)(=O)C2=C(C=CC=C2Cl)Cl 1 3.589 1 4 -8.80314331578107 2443720 C1=CC=C(C=C1)CN(CCC(=O)O)S(=O)(=O)C2=CC=CC=C2Cl 1 2.924 1 4 -12.0381387244673 2443717 COC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)CC2=CC=CC=C2 1 2.243 1 5 -12.5973188636739 2443675 CC1=CC=C(C=C1)CNC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)OC 1 2.069 3 3 -11.3406930575795 2443590 COC1=CC=CC=C1CNC2=C3C=CSC3=NC=N2 1 3.027 3 1 -4.03326074703963 2443584 CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2CCCCC2 1 2.954 2 3 -21.5431685158709 2443557 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(S3)N 1 8.1e-002 5 4 0 -29.2035070718533 2443544 CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CS4 1 4.682 3 2 -27.8944053025135 2443542 CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=NN3C(=CC=NC3=N2)C 1 1.523 5 4 0 -20.0777737489855 2443499 C1=CN=CC=C1C2=NC(=NN2)C3=CC=NC=C3 1 0.833 5 0 0 4.64855828167699 2443473 CCC(C)(C)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O 1 3.169 1 4 -7.69178788169227 2443459 C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)NC3=CC(=C(C=C3)OC(F)F)Cl 1 3.9 2 3 -11.5255677450836 2443449 COC1=C(C=C(C=C1)NC(=O)CCCN2C3=CC=CC=C3OC2=O)Cl 1 3.399 2 4 -7.67058342332859 2443447 C1CCC(C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCCO4 1 3.35 2 3 2.4812856631444 2443446 C1CS(=O)(=O)N=C2N1C3=C(S2)C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl 1 2.567 3 3 -12.0221506651366 2443440 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)C 1 4.796 2 4 -10.6111925737966 2443439 CCCN(CC1CC1)C(=O)CSC2=NN=C(N2N)C3=CC=CO3 1 2.064 5 2 0 -17.9752871949294 2443436 CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 2.937 3 4 0 -11.0467495750774 2443423 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC=C2C#N 1 2.463 4 2 -18.5328433801082 2443410 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN(C)CC3=CC=CC=C3Cl 1 3.849 6 0 2.92871552715123 2443401 CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC)C3=CC(=CC=C3)C 1 4.388 4 4 0 -18.1030756300655 2443356 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 4.52 1 6 0 -12.6717757653535 2443353 CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)C3=C(C=C(C=C3)O)O 1 4.101 1 4 -2.04160476016754 2443348 CCC1=NN=C(S1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 1.988 4 2 0 -21.0254461742063 2443340 CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SCC(=O)NC(=O)NCC3=CC=CO3 1 2.625 4 5 0 -20.4231684769278 2443337 COC1=C(C(=CC=C1)OC)OC(=O)C2=NC=CN=C2 1 1.356 2 4 0 -7.499017250261 2443333 CCNC1=NC(=C(S1)C)C2=CC=C(C=C2)OC(F)F 1 3.41 2 1 0.909723705388032 2443329 CC1=C(SC(=N1)NCC2=CC=CC=C2OC)C(=O)C 1 2.044 2 2 -5.78280760364457 2443328 CC1=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N 1 2.095 4 2 -13.3948813293313 2443327 C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)F 1 3.566 3 2 -23.4414140073349 2443325 CC1=CC(=C(C=C1)OC)NC2=NC(=CS2)C3=CNC4=CC=CC=C43 1 4.45 3 1 5.46464080851479 2443322 CN(C1CCCCC1)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 6.466 2 1 -4.80813233548225 2443311 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2 1 3.886 3 5 0 -6.67365455245115 2443301 COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CN4CCCCC4 1 4.689 4 2 -7.41318261495315 2443281 C1CCN(C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 4.067 3 2 -10.5402484557678 2443277 COC1=CC(=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CN4CCCC4)OC 1 4.216 4 3 0 -7.96247331409359 2443272 CN(CC(=O)NC1=CC=CC=C1Cl)CC(=O)NC2=C(C=CC=C2F)F 1 2.668 3 2 -5.40456527768393 2443264 C1=CC=C(C(=C1)C2=NN=C(O2)CN3C(=O)C4=C(C3=O)C(=CC=C4)N)Br 1 1.94 4 3 0 -8.31580934594135 2443235 CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Br 1 3.062 2 4 -15.5971155918407 2443234 C1=CC(=CN=C1)C2=CSC(=N2)NC(=O)CC3=CC=CS3 1 2.396 3 1 -5.56478079693367 2443232 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)OCC(=O)NC4=C(C=C(C=N4)C(F)(F)F)Cl 1 6.114 3 3 -3.43124509649958 2443226 CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.879 4 4 0 -14.1582834061691 2443218 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(S3)[N+](=O)[O-] 1 3.51 3 3 4.05442661460437 2443214 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC=CO3 1 2.524 2 5 0 -8.47857203948691 2443198 CC1=CC(=C(O1)C)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.042 2 4 0 -14.3594904271136 2443194 C1=COC(=C1)C(=O)NCCC(=O)NC2=CC(=C(C=C2)F)Cl 1 2.187 2 3 -9.99342799234542 2443083 CC1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)Br 1 3.804 1 2 -5.08587699832273 2443081 CCC1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)C 1 3.998 1 2 -5.6906540795872 2443071 CCC1=CC=C(C=C1)N2C(=O)CC3=C2N=C(C(=C3N)C#N)N 1 1.857 5 1 0 -6.21084532824886 2443018 C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCNCC3 1 1.425 2 2 0 -17.7604961024735 2443006 C1=CNC=C1/C=C(/C#N)\C(=S)N 1 1.1 3 0 0 -5.61227691677917 2442993 CCC1=C(SC(=C1)C(=O)NNC(=O)CCl)C 1 1.781 2 2 0 -9.09819879779247 2442939 CCN(CC(=O)NC(C)(C)C)C(=O)COC1=C(C=C(C2=C1N=C(C=C2)C)Cl)Cl 1 3.216 3 3 -16.1208533338516 2442932 CSC1=CC=CC=C1NC(=O)C2=CC=CC=N2 1 2.434 2 1 -11.8572326904845 2442931 CCN1C2=C(C=C(C=C2)C(=O)NC3CCCC3)NC(=O)C1=O 1 1.215 3 3 0 -12.5648493906652 2442915 CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(=O)N2CCC(CC2)C(=O)N 1 1.411 2 5 0 -6.55770195632712 2442911 C1C(=C(N(C1=O)C2=CC(=C(C=C2)Cl)Cl)N)C#N 1 1.973 3 1 0 -3.64806150647529 2442909 C1=CC=C(C=C1)C2=NN=C(O2)CCC(=O)C3=CC=C(C=C3)Cl 1 3.673 2 2 -4.30800343612194 2442831 CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC=C(C=C3)Br)C(=O)OC 1 4.055 2 3 -10.8146402429557 2442814 CC1=C(C=C(C=C1)S(=O)(=O)NC2CCCC2)C 1 3.115 1 2 -6.56280387562613 2442807 COC1=CC=CC=C1OC2=C3C=CC(=CC3=NC=C2)Cl 1 4.224 1 2 2.68523792556207 2442790 CC1=CC=C(C=C1)NC(=O)CN(C)CC2=CC=C(C=C2)Cl 1 3.69 2 1 -1.74495232148401 2442775 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)OC(C)(C)C 1 2.773 1 6 0 -18.0869396234024 2442759 C1=CC=C(C(=C1)CC(=O)NC2=NC(=CS2)C3=CN=CC=C3)F 1 2.648 3 1 -5.78692971949064 2442756 CN(CC1=CC=C(C=C1)OC)C(=S)NC2=CC=C(C=C2)OC(F)F 1 5.42 2 2 -2.95363075591278 2442732 COCCN(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)OC(F)F 1 5.306 2 2 -8.36205455680278 2442717 C1=CC=C(C=C1)CN(CCO)C(=S)NC2=C(C=C(C=C2)Cl)Cl 1 5.421 2 1 -4.07341150362548 2442715 CCCN(CC1=CC=CC=C1)C(=S)NC2=CC=CC(=C2)C(F)(F)F 1 6.446 2 0 -5.45820889498007 2442685 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)COC2=CC=C(C=C2)OC)C 1 2.981 1 7 0 -13.3381639151815 2442678 CCN(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)OCC 1 5.312 2 1 -10.1204578087069 2442671 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CC3 1 2.6 3 3 -25.5364103227746 2442668 C1=CC=C(C=C1)CN(CCO)C(=S)NC2=CC=C(C=C2)F 1 4.297 2 1 -6.06392635259587 2442653 CCCCN(CC(=O)NCC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 3.369 2 5 0 -24.260104721412 2442650 CC1=CC(=C(C=C1)NC(=O)COC(=O)[C@H](C)NC(=O)N)C 1 0.963 3 4 0 -15.2116403308422 2442646 C1COC(=CO1)C(=O)OCC(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3 1 1.795 1 6 0 -7.81496175729561 2442623 C1=COC(=C1)C(=O)NCCC(=O)NC2=CC(=C(C=C2)OC(F)F)Cl 1 2.787 2 4 -10.7520211245361 2442614 CCCNC(=O)COC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C 1 1.838 2 5 0 -18.8481642752366 2442610 CC1=CC=CC(=C1)C(=O)NCCC(=O)NC2=NC(=C(S2)CC3=CC4=C(C=C3)OCO4)C 1 3.301 3 4 0 -16.4183794796619 2442604 CCN(C1=CC=CC=C1)C(=O)COC(=O)CNS(=O)(=O)C2=CC=CC=C2 1 1.639 2 5 0 -16.1502465254381 2442588 C1=CC(=C(C(=C1)Cl)CC(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F)Cl 1 5.805 1 4 -6.12597823690261 2442587 CC1=C(C=CC(=C1)Br)NC(=S)NCCC2=CC=CC=C2 1 5.651 2 0 -9.67279509791149 2442554 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)C 1 3.071 2 3 -12.2876286022806 2442495 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl 1 3.06 2 3 -11.7510864357673 2442477 CC(C)C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.201 2 3 -19.1058156205322 2442472 CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CC3=CC=CS3)C 1 4.519 2 1 -1.06988968056224 2442413 CC1CCN(CC1)CC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C 1 3.24 2 2 -13.3259543657075 2442391 CC(C)NC(=S)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 5.073 3 0 -17.3152064234399 2442380 CCOC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)NC(=O)C 1 2.522 1 4 -8.52456134696537 2442378 CC1(CC2=C(O1)C(=CC=C2)OC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)C 1 3.453 2 4 -16.4747837255983 2442363 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CN3C=C(C=CC3=O)C(F)(F)F 1 3.04 2 2 -11.7791933008897 2442355 CCC1=CC=C(C=C1)NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N=N2 1 -4.8e-002 5 4 0 -9.24249170122241 2442329 CC1=C(N=C(N=C1C)SCC(=O)NC(=O)NC2CCCCC2)C 1 2.863 4 2 -11.410867660332 2442320 CC1=CC=C(N1CC2=CC=CC=C2Cl)C 1 3.668 1 0 -4.85068087025791 2442311 CC1=CC(=C2C(=C1)C(=CC(=S)N2)C)C 1 4.042 1 0 -2.06698402912799 2442307 CC1=CC(=C(N1CCC2=CC=C(C=C2)Cl)C)C(=O)CCl 1 4.262 1 1 -6.63477823903851 2442289 CC1=CSC(=N1)NC(=O)C2=CC=C(S2)Br 1 2.415 2 1 -3.73042814287276 2442215 COC1=C(C=C(C=C1)CC2=NNC(=S)N2N)OC 1 1.406 4 2 0 -12.5695107344114 2442210 CCOC1=C(C=CC=N1)C(=O)NC2=NN=C(S2)C 1 1.07 4 2 0 -15.5494532329135 2442208 CC1=C(SC2=C1C(=NC(=N2)CN3CCOCC3)Cl)C 1 2.266 3 1 -1.12089123704977 2442259 CCCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)OCCC 1 4.576 0 5 -8.36591407444482 2442239 CN(CCOC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)OC(F)F 1 5.485 2 2 -3.54052034290242 2442236 C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=C(C(=C(C=C3)F)F)F 1 3.977 3 2 -21.2933596600451 2442232 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)OC 1 3.273 1 3 -1.69715636010878 2442182 CC1=C(C(=CC=C1)C(C)C)NC(=O)CN(C)CC2=CC=CC=C2C 1 4.706 2 1 -6.70378336031648 2439425 C[C@@H](C(=O)OCC(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)NS(=O)(=O)C4=CC=C(C=C4)OC 1 3.039 2 8 0 -22.3144716916682 2439424 CC1=NN=C(N1N=CC2=CC=C(O2)C3=CC=CC=C3Cl)C 1 3.436 4 1 4.50133330789509 2439413 CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3 1 3.826 5 2 0 -14.5799767676368 2439363 CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3OC)OC)/C=C/C(=O)O 1 2.727 2 6 0 -3.38313646971372 2439353 CC1=CC(=C(O1)C)C(=O)NNC(=S)NCC(=C)C 1 1.877 3 2 0 -13.702855772103 2439341 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CS4 1 1.503 3 4 0 -23.8124571482832 2439332 COC1=C(C=C(C=C1)C(=O)NCCCN2CCOCC2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 2.135 3 5 0 -25.3688856518476 2439323 CC1=NC2=CC=CC=C2C(=C1)C(=O)NCCCOC(C)C 1 2.164 2 2 -12.8114854876196 2439316 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.241 4 6 0 -19.2952797580286 2439271 CCC(CC)C1=NN=C(S1)NC(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 2.468 7 1 0 -16.770067332046 2439261 CC1=NC(=C(C=C1Cl)Cl)NC(=O)CSC2=NN=CN2C3=CC=C(C=C3)OC 1 3.679 5 2 0 -8.76726314466863 2439251 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC(=O)C3=CC=CC=C3F)Cl 1 1.546 3 5 0 -22.7119460115707 2439242 C1=CC=C(C(=C1)N(CCC#N)C(=O)COC2=C(C=C(C=C2)F)Br)F 1 3.794 2 2 -10.5994182711326 2439237 C1CN(CCC1C(=O)N)CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br 1 1.806 4 2 0 1.00526705549805 2439230 CC(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC(=CC=C2)F 1 1.538 3 3 0 -6.57993501948413 2439227 CC1=CC=C(C=C1)SCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 3.492 2 3 -6.39802574835339 2439224 CCC1=CC(=CC=C1)OCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 3.39 2 4 -5.51115489995015 2439221 CC1=C(C=CC(=C1)OCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C(C)C 1 4.128 2 4 -6.61504037517505 2439209 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CN2C(=O)C(=C(C=N2)Cl)Cl 1 1.026 4 3 0 -5.36698244287924 2439166 CC1=CC(=CC=C1)OCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 2.933 2 4 -4.57945562340053 2439157 C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=CC=CNC3=O 1 0.408 2 4 0 -17.3189925314323 2439152 CC1=CN2C(=NC(=CC2=O)CN3C=C(C=CC3=O)C(F)(F)F)C=C1 1 0.975 3 2 0 -8.91643772977318 2439149 CN1C(=NN=N1)SCC(=O)N(C)CC2=CC=CS2 1 0.812 5 1 0 -23.3567861846286 2439147 CC1=C(C(=CC=C1)NC(=O)CNC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F)C 1 4.091 2 4 -9.7995700696446 2439132 CC(C)(C)C1=CC=C(C=C1)C=NOCC(=O)NCC2=CC=C(C=C2)F 1 3.945 2 2 -2.64945883762351 2439129 CC1=NC(=C(C=C1Cl)Cl)NC(=O)CSC2=NN=C(S2)N 1 2.277 5 1 -10.4856368447479 2439113 C1CN(CCN1CC(=O)NCCCC2=CC=CC=C2)C3=CC=CC=C3O 1 3.128 3 2 -6.12183105629069 2439083 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=CC(=C3)C)C 1 4.277 4 3 0 -14.438363356142 2439074 CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC3=CC=CC=C3S2)N 1 2.22 4 3 0 -10.28308929753 2439071 C1CCCC(CCC1)NC(=O)COC(=O)C2=CC=CNC2=O 1 1.322 2 4 0 -15.6337678633623 2439069 CC1=CC(=C(N1CC(F)(F)F)C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 2.669 3 4 0 -11.8122705871837 2439063 C1=CC=C(C=C1)C(CCNC(=O)CSC2=NC=NN2)C3=CC=CC=C3 1 3.378 4 1 -20.8899316676899 2439029 C1=CC(=CC=C1NC(=O)COC(=O)C2=C(C(=O)NC(=O)N2)N)OC(F)F 1 -0.681 4 6 0 -12.5728035651803 2439019 C1COCCN1C(=O)COC(=O)C2=CC=CC=C2Br 1 1.387 1 4 0 -11.1761758533083 2439000 CCN(CC1=CC=CC=C1)C(=O)COC(=O)CNC(=O)C2=CC=C(S2)C 1 2.042 2 4 -18.4687412239112 2438992 CCCCC(=O)OCC(=O)NC(=O)NC(C)C 1 1.166 2 4 0 -18.6955925316357 2438958 CN(CC(=O)NC1=CC=C(C=C1)C(=O)N)CC(=O)NC2=CC=C(C=C2)Cl 1 1.259 4 3 0 -6.63151013106943 2438953 CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=NC5=CC=CC=C5N4 1 4.952 5 1 -6.60319332765834 2438937 CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 3.325 2 4 -11.6640150277855 2438929 CC1=C(C(=CC=C1)C)OCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 3.42 2 4 -6.7763377206393 2438920 C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=NC5=CC=CC=C5N4 1 4.466 5 1 -7.24612274098595 2438918 CCC1=C(C=C(S1)C(=O)NC2=CC=CC(=C2)C(=O)C)C 1 3.606 1 2 -6.77890459572694 2438914 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC4=CC=CC=C43 1 4.028 2 4 -17.6974660790063 2438911 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=CO5 1 2.691 7 5 0 -20.7978338586313 2438898 CC1=CSC(=N1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CSC)C 1 1.939 4 2 0 -16.7638578263951 2438895 C1COC2=C(O1)C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.175 1 5 -11.8959855004576 2438866 CN1CCC(CC1)N(C)C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.452 4 3 0 -7.5638635420613 2438848 CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 2.021 2 3 -4.19132402782698 2438820 CC1=C(C=CC=C1Cl)NC(=S)NCCC2=CC=C(C=C2)C(F)(F)F 1 6.509 2 0 -1.58797526635872 2438786 CC1=C(SC(=N1)NCC2=CC=CC=C2OC)C(=O)NC 1 1.512 3 2 0 -9.41246821474671 2438781 C1CN(N=C1NC(=S)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3 1 5.043 4 0 -1.11778480800358 2438778 C1=CC(=C(C=C1C(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)C=NN3)Cl 1 2.255 3 4 0 -5.09454330575687 2438769 CNC1=NC(=C(S1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC 1 3.887 2 2 2.8692417111512 2438724 CC1=CC(=C(C=C1)NC(=O)CCC2=CC=CC=C2OC)Cl 1 4.239 1 2 -8.7418382181754 2438721 CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2F 1 2.353 1 3 -15.1572411416275 2438711 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2SC 1 2.896 1 2 -11.9163136125878 2438709 CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)F 1 2.353 1 3 -13.0083863667797 2438708 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)O)C)C 1 4.279 2 3 -5.19374840468198 2438704 CC1=CC=C(S1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCCCC3 1 4.457 2 1 -1.17687661744298 2438691 CC1=C(C=CC(=C1)F)NC(=O)CCNC(=O)C 1 0.95 2 2 0 -12.9943551900892 2438689 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)/C=C/C2=C(C=CC(=C2)OC)OC 1 2.876 2 4 -12.7211839848402 2438682 CCC1=C(C=C(S1)C(=O)NC2=NC(=CS2)C)C 1 3.146 2 1 -5.69628976583861 2438676 CSC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2)OCO3 1 2.313 2 3 -12.5952110905557 2438673 CCC1=C(C=C(S1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCCCC3)C 1 5.61 2 1 -2.22454043381917 2438668 C1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C(F)(F)F 1 2.444 3 4 0 -10.5646589419668 2438666 CC(=O)C1=CC=C(C=C1)OCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 1.305 3 5 0 -15.0805945553162 2438655 CN(CC1=CC=C(C=C1)SC)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F 1 3.902 3 1 5.56089216720225 2438648 CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(S3)NC4=CC=CC=C4 1 1.575 7 3 0 -16.6422007767862 2438636 CN(CC(=O)NC1=CC=C(C=C1)OC)CC(=O)NC2=CC=CC=C2SC 1 2.118 3 3 -11.2892840080081 2438555 COC1=C(C=C2CN(CCC2=C1)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)OC 1 3.564 4 2 8.64616708332329e-002 2438544 CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)F 1 6.368 4 1 -11.2354240400263 2438474 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)SC 1 2.599 1 3 -3.60331936274295 2438437 CCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N=CN3 1 2.462 3 2 -10.4269486279663 2438419 CN1C(=NN=N1)SCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2 1 2.708 6 1 0 -12.7492512686556 2438407 CC(=O)C1=CC(=C(C=C1)OC)CN2C(=O)C3(CCCCCCC3)NC2=O 1 3.193 2 4 -7.39635191835532 2438386 C1=CC(=CC=C1C(=O)NCCC(=O)NC2=C(C=C(C=C2)Cl)F)Cl 1 3.456 2 2 -9.96793842996388 2438385 C1=CC(=CC=C1C(=O)NCCC(=O)NC2=C(C=C(C=C2)F)F)Cl 1 2.998 2 2 -9.94306212998054 2438361 CC1=CC=NC2=NC(=NN12)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.177 5 3 0 -12.803278795476 2438355 CC1=CC=NC2=NC(=NN12)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 0.987 6 3 0 -23.8311570349243 2438352 CCC1=CC=C(C=C1)NC(=O)CN2CCC3=CC=CC=C3C2 1 3.557 2 1 -8.54157954488709 2438342 C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCC(F)(F)F 1 1.982 2 5 0 -19.1558479987945 2438337 C1=CC(=CC=C1/C=C/C(=O)NCCN2C(=O)/C(=C/C3=CC=C(C=C3)F)/SC2=O)[N+](=O)[O-] 1 3.572 3 5 0 -10.3612461451731 2438322 CC1=CC(=NC2=NC(=NN12)C(=O)N(C)C(C3=CC=CC=C3)C4=CC=CC=C4)C 1 3.517 5 1 -10.4453803200957 2438314 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=CN3C4=CC=CC=C4 1 2.663 7 3 0 -17.5120110704868 2438300 CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O 1 3.416 2 5 0 -15.9050611421794 2438292 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2 1 1.572 2 6 0 -19.808118579613 2438288 CC1=C(C=C(N1C)C#N)C=C2C(=O)C3=CC=CC=C3C2=O 1 2.851 2 2 -1.65181805452167 2438271 COC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=CC=CC=C3 1 2.679 4 2 -15.436205344686 2438268 CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CSC3=NN=C(S3)N 1 3.417 4 3 0 -18.0728949945444 2438230 CN1C=CC=C1C(=O)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C 1 2.952 4 3 0 -24.4952558620685 2438227 CN(CC(=O)OCC(=O)NCC(F)(F)F)S(=O)(=O)C1=CC=C(C=C1)Cl 1 1.385 2 5 0 -16.6680875375608 2438205 COC1=CC=C(C=C1)OCC(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32 1 1.152 2 6 0 -16.3529537019774 2438194 C1=CC=C(C(=C1)C(=O)NCC(=O)OCC(=O)NCC(F)(F)F)F 1 1.017 2 4 0 -20.7454789517005 2438178 CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NCCN3C(=O)CSC3=O 1 2.372 5 3 0 -26.8688212998743 2438141 CC1=CC(=NC2=NC(=NN12)SCC(=O)NC(=O)NCC3=CC=CO3)C 1 1.473 6 3 0 -17.8147878604899 2438126 C1CCC(CC1)NC2=NN=C(S2)SCC(=O)NCC3=CC=CO3 1 2.407 4 2 -22.6562624260104 2438115 C1=CC=C(C=C1)C2=CN(C(=S)N2)N=CC3=CC=CS3 1 3.36 3 0 -3.39654517559369 2438105 CC1=CC=CC=C1NC(=O)COC(=O)/C(=C/C2=CC=CC=C2OC)/C3=CC=CC=C3 1 4.738 1 4 -9.99372620289783 2438073 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)C2=CC=CN2C 1 1.033 3 6 0 -13.7034864241553 2438071 CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 2.483 3 6 0 -23.2347484806274 2438028 C1CCC(CC1)NC(=O)COC2=NC=NC3=C2C=CC(=C3)[N+](=O)[O-] 1 2.723 4 4 0 -6.51903932064994 2438020 C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-] 1 4.839 4 5 0 -7.90876664303959 2438008 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(CC=C)C3=CC=CC=C3)Cl 1 4.672 2 6 0 -25.5204227833069 2437983 C1=CC(=CC=C1C(=O)N)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.218 3 6 0 -13.9035843095299 2437957 CC(C)(C)NC(=O)CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=CS2 1 2.284 2 4 -21.2832195418612 2437956 C1=CC=C(C(=C1)C2=NN=C(O2)COC3=CC(=CC=C3)Cl)Br 1 4.302 2 2 -3.77377618204253 2437951 C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC(=O)NC3=NC=CC=N3 1 4.314 5 1 -12.6222718851908 2437942 C1=CC=C2C(=C1)C=CC=C2C(=O)OCC(=O)NC3=C(N=CC=C3)Cl 1 2.953 2 3 -7.1168208638161 2437913 C1=CC=C2C(=C1)NC(=N2)SCCCC(=O)NCC3=CC=C(C=C3)Cl 1 4.306 3 1 -12.7732602828973 2437891 CSC1=C(C=CC=N1)C(=O)NC2=C(C(=C(C=C2)F)F)F 1 3.161 2 1 -9.7366963809068 2437877 CC(=O)NCCC(=O)NC1=NC2=C(S1)C=C(C=C2)OC3=CC=CC=C3 1 2.444 3 3 -7.98769150118411 2437866 CC1=CC=C(C=C1)C2=NC3=C(C(=C(S3)C(=O)O)C)C(=N2)SCC(=O)N(C)C4=CC=CC=C4 1 5.548 3 3 -12.0173864250326 2437830 CC1=CC=C(C=C1)C2=NC3=C(C(=C(S3)C(=O)O)C)C(=N2)SCC(=O)NC4=CC=CC=C4OC(F)F 1 6.148 3 4 0 -13.5228936618352 2437809 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(N=CC=C2)SC 1 2.495 2 4 -14.6596677255493 2437793 C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)NCCC3=CC=C(C=C3)F 1 3.002 4 2 -24.2502022614298 2437788 C1=CC=C2C(=C1)NC(=N2)NC(=O)CC3=CC=C(C=C3)Br 1 3.455 3 1 -2.14124976693426 2437718 CC1=CC(=C(C=C1)C)S(=O)(=O)NN=CC2=CC=C(C=C2)NC(=O)C 1 2.479 3 3 -5.0954324302752 2437715 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCCSC3=NC4=CC=CC=C4N3 1 5.253 3 1 -16.9127998440297 2437699 C1CC(=O)N(C1=O)CC2=C(C=CC=C2Cl)Cl 1 2.325 1 2 -6.34130727171812 2437686 C1COCCN1C2=CC=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.754 2 4 -11.2663777932755 2437682 C1COCCN1C2=CC=C(C=C2)NC(=O)CC3=CC=C(S3)S(=O)(=O)N4CCOCC4 1 1.382 3 5 0 -15.7196775590058 2437659 CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NCC2=CC=CO2 1 2.716 1 4 -11.6044204727933 2437639 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N 1 2.05 3 4 0 -11.9046799892495 2437623 C1CN(CCN1C(=O)CCC(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 0.917 2 5 0 -22.4813962402325 2437621 C1=CC(=CC=C1C=O)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)F 1 2.492 1 4 -11.3747108150467 2437610 C1=CC=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.782 1 3 -7.82306115663391 2437601 COC1=C(C=C(C=C1)CCNC(=O)COC2=NC=NC3=CC=CC=C32)OC 1 2.842 3 4 0 -9.84217412962578 2437582 CCC1=CC=CC=C1NCC(=O)NC2=CC=CC=C2C(=O)OC 1 3.072 2 3 -13.8708958312011 2437548 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC(=O)C3=CC=CC=C3O)C)C 1 3.684 1 4 4.84906011367361 2437544 COC1=CC=C(C=C1)NC(=O)COC(=O)C2=C3CCCCC3=NC4=CC=CC=C42 1 4.012 2 4 -7.98790834083581 2437536 COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F 1 3.078 1 7 0 -10.0241935144136 2437524 CC1=CC=C(C=C1)NC(=O)CNC2=CC=C(C=C2)S(=O)(=O)N=C3N(C=CS3)CC(=O)N 1 0.553 5 4 0 -18.5542217780921 2437512 CC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2 1 1.996 1 4 0 -14.2883734457168 2437506 C1CCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)C=O 1 1.171 1 4 0 -13.0005904858234 2437495 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-27.5508961689338 2435991 CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCC(CC3)C(=O)O)C4=CC=NC=C4 1 3.144 5 3 0 -13.1103524446733 2435984 CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)O)C 1 4.153 3 4 0 -20.3239915637695 2435981 CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)O 1 4.331 3 4 0 -20.7583627634513 2435952 CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3 1 3.796 2 3 -9.81115795311049 2435938 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CNC4=CC=CC=C43)C 1 4.696 3 3 -15.2730037835386 2435899 CC1=C(C(=NO1)C)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2 1 2.538 2 4 -24.4257178350782 2435880 C=CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl 1 2.06 2 5 0 -27.9772716775962 2435859 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC 1 2.376 2 5 0 -17.7812946450601 2435855 CCNC(=O)COC(=O)C1=CC=C(S1)C2=NC3=CC=CC=C3S2 1 3.347 2 3 -7.50307838572386 2435854 CC(C)(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC 1 2.15 2 6 0 -29.4725565400269 2435852 CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)Cl 1 2.982 2 5 0 -25.0044246454423 2435849 CC(C)CNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC3=CC=CC=C32 1 3.369 2 5 0 -27.9715209858895 2435802 CC(C)(C)NC(=O)COC(=O)C1=CC(=C(C=C1Cl)F)F 1 2.751 1 3 -12.3461078674397 2435792 CCCCNC(=O)COC(=O)C1=C(OC(=C1)C)C 1 1.468 1 4 0 -17.5853569747982 2435782 CCNC(=O)COC(=O)COC1=C(C=C(C=C1)Cl)C 1 2.079 1 4 -7.541188058787 2435778 CC(C)(C)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 1 2.166 2 5 0 -28.2419670611233 2435775 CCCCNC(=O)COC(=O)C1=CC(=C(C=C1Cl)F)F 1 3.149 1 3 -13.0786290851968 2435762 CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(=O)NCC=C 1 2.347 1 4 -11.1623626811122 2435761 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C(=O)C4=C(C3=O)C(=CC=C4)N 1 1.142 3 5 0 -18.8192025329669 2435753 C1COCCN1C2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=N3 1 1.811 4 2 0 -8.21862871447474 2435742 CCNC(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CC=C 1 2.975 3 2 -35.5478400340098 2435730 CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)N 1 1.331 3 4 0 -19.0064187881535 2435724 CCCCNC(=O)COC(=O)CNC(=O)C1=CC(=CC(=C1)Cl)[N+](=O)[O-] 1 1.692 3 6 0 -18.8866889190252 2435722 CC(C)(C)NC(=O)COC(=O)CNC(=O)C1=CC(=CC(=C1)Cl)[N+](=O)[O-] 1 1.295 3 6 0 -19.4356832892281 2435704 C=CCNC(=O)CN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 1.278 2 3 0 -9.8054982123058 2435701 CC1=CC=C(C=C1)CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.19 2 5 0 -21.2771718123961 2435699 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)F 1 2.127 1 4 -10.8946850521057 2435697 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3C4=CC=CC=C4 1 2.672 3 3 -2.271821808946 2435692 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)NCC2=CC=CO2)C 1 2.318 1 5 -15.176460915024 2435687 CC(C)(C)NC(=O)NC(=O)CN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 1.373 3 4 0 -8.93233170913799 2435679 CC(C)NC(=O)COC(=O)CNC(=O)C1=CC(=CC(=C1)Cl)[N+](=O)[O-] 1 1.09 3 6 0 -20.8699746753243 2435653 CC1=C(C(=NO1)C)COC(=O)CNC(=O)C2=CC(=CC=C2)F 1 1.416 2 4 0 -16.8580011635738 2435649 CC(C)CNC(=O)COC(=O)C1=C(C=C(C=C1)F)Cl 1 2.806 1 3 -9.39755133808748 2435647 CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 3.542 3 3 -7.69235531834216 2435626 C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CN=C(C=C3)Cl 1 2.45 1 5 -14.9066144817977 2435610 CCCN1C(=O)C2=C(N=C1SCC(=O)NC(C)C)SC3=C2CCC3 1 3.608 3 2 -35.7061860544053 2435577 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)Cl 1 4.948 2 4 -13.8722634507338 2435549 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3C(F)(F)F 1 2.096 3 3 -7.80582844092639 2435546 CCOC(=O)NNS(=O)(=O)C1=C(C=CC(=C1)Br)Br 1 2.399 2 4 -6.95747354577546 2435540 C1CCC(CC1)NC(=O)CON=CC2=CC=CC=C2OC(F)F 1 3.419 2 3 -4.03470111710029 2435539 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 -0.303 4 7 0 -20.681818554779 2435536 COC1=CC(=C(C=C1)C=NOCC2=CC=C(C=C2)Br)OC 1 3.994 1 3 2.84725911735664 2435522 C1=CC2=C(C=CC(=C2)Br)C=C1OC3=NC=C(C=C3)C(F)(F)F 1 5.377 1 1 8.46620596766989 2435484 C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)O 1 4.118 2 4 -13.9369559211514 2435457 CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)NC2=CC(=CC=C2)F 1 1.535 2 4 0 -8.66572881929771 2435455 CCOC(=O)/C=C/1\N(C(=O)CS1)CC(=O)NC2=CC(=CC=C2)F 1 1.535 2 4 0 -8.66572881929771 2435439 CC1=C(C(=CC=C1)C)NC(=S)N(C2=CC=CC=C2)C(C)C 1 6.419 2 0 -8.12176458853989 2435432 CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)N2CCOCC2 1 -0.354 2 5 0 -14.2686244324751 2435404 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC3=CC4=C(C=C3)OCO4)C)C 1 3.823 1 4 4.29863207767777 2435403 C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NN 1 3.091 3 1 -7.61278641388292 2435396 C1=CC2=C3C(=C1)C(=O)N(C3=CC=C2)CC4=CC=C(C=C4)C(=O)NN 1 1.992 3 2 0 -1.70445879141876 2435350 CC1=CC=C(C=C1)N(CCC(=O)O)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 3.681 1 4 -9.27313284501295 2435336 COC1=CC(=CC(=C1OC)NC(=O)C2=CC=CO2)C(=O)O 1 1.606 1 6 0 -8.32685315817534 2435261 CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CO2 1 3.196 1 4 -12.5929743688459 2435278 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC(=C3)C4=CC=C(C=C4)O 1 4.482 2 3 4.0223729969533 2435279 C1=CC2=C(C(=C1)OC3=C4C=CSC4=NC=N3)N=CC=C2 1 3.397 3 1 -3.47176471472881 2435321 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)N 1 -0.125 4 7 0 -18.8598198641922 2435291 C1=CC(=CC=C1NC2=C3C=CSC3=NC=N2)F 1 3.406 3 0 2.49554680544888 2435222 COC1=CC=CC=C1C=NOCC2=CC=C(C=C2)C#N 1 3.141 2 2 -0.681277746933827 2435216 COC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCC3=CC=CC=C32 1 1.645 2 5 0 -19.1712144692804 2435201 CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCCC2 1 0.804 2 5 0 -16.4812228555064 2435198 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2CCCCC2 1 1.013 3 3 0 -16.631315293248 2435194 COC1=CC(=C(C=C1)C=NOCC2=CC=CC=C2C#N)OC 1 3.125 2 3 -0.536603426614724 2435186 C1=CC=C(C(=C1)C=NOCC(=O)NCC2=CC=CO2)OC(F)F 1 2.326 2 4 -7.21853688806519 2435184 CC(C)CNC(=O)COC(=O)C1=C(C=C(C=C1)SC)OC 1 2.462 1 4 -10.3881152337964 2435183 CC1=CC(=NO1)NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O 1 1.204 4 4 0 -16.5577604002146 2435182 CC1=CC=C(C=C1)C(=O)OCC(=O)NC2CCCC2 1 2.633 1 3 -10.8474633871086 2435181 CC1=CC(=NO1)NC(=O)CN2C(=O)C3(CCCCC3)NC2=O 1 0.748 4 4 0 -16.5577604002146 2435174 C1=CC(=CC=C1C(=O)NN=CC2=C(C=C(C=C2)OC(F)F)OC(F)F)Br 1 5.042 2 3 -2.18101562088691 2435113 CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 2.748 3 7 0 -15.7929161065233 2435108 C1CCC(=CC1)CCNC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)F 1 2.337 2 4 -18.4502248787823 2435095 CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC=C)NC(=O)C2=CC=CO2 1 2.028 2 5 0 -20.815631290528 2435093 C1CCC(C1)NC(=O)COC(=O)C2=C(C(=CC=C2)Cl)Cl 1 3.476 1 3 -10.1067126529052 2435091 CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=NN=C(O3)C4=CC(=C(C(=C4)OC)OC)OC 1 4.521 5 4 0 -11.4369948339579 2435079 CCCCNC(=O)COC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=CC=CO2 1 2.739 2 5 0 -21.0942798070606 2435064 CC1=C(C(=NO1)C)COC(=O)COC2=CC=C(C=C2)C#N 1 1.865 2 4 0 -15.6755968673249 2435047 CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCC(CC2)C 1 1.512 2 5 0 -19.5248009735789 2435045 C1CCC(=CC1)CCNC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 2.796 2 4 -17.4527593014848 2435044 CCNC(=O)COC(=O)CC1=C(C=C(C=C1)Cl)Cl 1 2.457 1 3 -7.31126339926605 2435017 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)N(C)C2=CC=CC=C2 1 2.908 2 5 0 -10.1614295517866 2435003 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCCC2=CC=CC=C2 1 3.219 1 4 -13.1781141683556 2434983 CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C 1 4.305 2 5 0 -24.6413582004942 2434959 CNC(=O)COC(=O)CNC(=O)C1=CC(=CC(=C1)Cl)[N+](=O)[O-] 1 0.363 3 6 0 -15.7445698304403 2434954 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)N 1 1.258 4 5 0 -17.9107069708239 2434952 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)NN=CC3=C(C=C(C=C3)OC(F)F)OC(F)F 1 5.481 3 5 0 -6.60447678924012 2434941 CCN(CC)C1=CC=C(C=C1)C(=O)OCC2=C(ON=C2C)C 1 3.01 2 3 -15.4705814515677 2434937 CC1=C(C(=NO1)C)COC(=O)CC2=CC=C(C=C2)Br 1 2.934 1 3 -11.6499073596397 2434923 CC1=C(C(=NO1)C)COC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 3.884 1 4 -13.1491083150046 2434904 CCCCNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2 1 2.316 2 5 0 -28.35362140893 2434897 CC1=CC(=C(O1)C)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3 1 2.121 0 6 -15.6810601903421 2434896 CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NN 1 2.694 2 2 -4.49243789972015 2434884 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)N 1 1.897 2 5 0 -15.9119448826842 2434868 CNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC=C)C2=CC=CC(=C2)C(F)(F)F 1 2.997 2 5 0 -23.1834230706938 2434865 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC 1 3.204 2 6 0 -17.7305697254573 2434862 C1CN(CCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)C(=O)C5=CC=CO5 1 2.755 3 6 0 -11.184638101621 2434861 CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)O)OC 1 4.018 0 6 -7.80705451409856 2434803 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)[C@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)N 1 1.166 4 7 0 -20.0208615138522 2434787 C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC(=CN=C2)Br)Cl 1 2.59 2 3 -11.5843368260381 2434777 C1=CC(=CN=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)CCl 1 0.722 3 3 0 -12.0463890824145 2434774 CC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCOCC2)[N+](=O)[O-] 1 1.019 2 6 0 -16.685144649976 2434758 CC(C)CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C32 1 3.386 2 3 -26.3872563388875 2434752 C1=CC=C2C=C(C=CC2=C1)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 3.401 3 3 -9.54226105388899 2434740 CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.185 2 5 0 -24.8548255305748 2434729 COC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.563 3 5 0 -12.6570485891315 2434720 CC(=O)NC1=CC=C(C=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3 1 1.882 3 4 0 -17.7143865782198 2434718 CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC 1 3.041 3 2 -24.1898440943998 2434710 C1CCC(C1)NC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.529 2 4 0 -16.5504046354667 2434702 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)OCC(=O)NC2=CC(=CC=C2)Br 1 2.799 2 6 0 -11.1933816385266 2434694 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)C)C 1 4.243 1 6 0 -5.85181295943266 2434679 CC1=C(C=C(C=C1)OCC(=O)OCC2=C(ON=C2C)C)C 1 2.958 1 4 -13.4240662971537 2434603 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC(=C(C=C3)OC)OC 1 2.243 3 6 0 -21.5067565288371 2434594 COC1=CC=CC(=C1)NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32 1 3.546 2 4 -13.6415532695755 2434592 C1CCCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 2.566 2 5 0 -23.4133772447728 2434569 C1CN(CCN1C2=NC=CC=N2)C(=O)CNC(=O)C3=CC=CS3 1 8.e-003 5 2 0 -9.32725291378105 2434567 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C[N+](=CC=C3)[O-] 1 0.388 2 4 0 -9.33104739562053 2434564 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC3=CC=CC=C3F 1 3.218 2 2 -2.86320544736066 2434562 CC1=NC2=CC=CC=C2C(=C1)C(=O)NNC(=O)CCN3CCN(CC3)C4=CC=CC=C4 1 2.559 5 2 0 -5.52519925234206 2434556 CNC(=O)CSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.617 3 1 -6.15267963388837 2434551 CC1=C(C(=NO1)C)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C43)OC 1 2.903 2 6 0 -26.7507455495303 2434535 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.521 2 7 0 -27.3620138263698 2434530 CCOC1=CC=CC=C1OCCCC(=O)OCC(=O)NC2=CC(=CC=C2)Cl 1 3.723 1 5 -11.805155573718 2434526 CC1=C(C(=NO1)C)COC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3 1 4.404 2 3 -7.28323877627606 2434504 CC(C)CNC(=O)COC(=O)CNC(=O)C1=CC(=CC(=C1)Cl)[N+](=O)[O-] 1 1.555 3 6 0 -17.1242561164229 2434488 CC1=C(C(=NO1)C)COC(=O)CCCC2=NC3=CC=CC=C3S2 1 3.167 2 3 -13.2741187839717 2434486 CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C(ON=C2C)C 1 1.543 2 5 0 -18.7906806890803 2434464 CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2CCCC2 1 3.459 1 4 -12.6922108532438 2434456 CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(OC(=C2)C)C)C 1 2.688 1 4 -11.8572472004454 2434453 CC1=CC(=C(O1)C)C(=O)OCC(=O)NCC2=CC=CC=C2Cl 1 2.387 1 4 -16.3728772994358 2434448 C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC(=O)N4C=CSC4=N3 1 3.382 4 2 -25.969635007989 2434436 C1CN(CCN1C(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C(=O)C4=CC=CO4 1 3.25 2 5 0 -6.83754459152169 2434425 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N2CCC3=CC=CC=C32 1 0.485 3 6 0 -21.2236401567973 2434400 COC1=CC=CC(=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.681 2 6 0 -17.4154608218318 2434382 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC(=O)C=C(N3)N 1 -0.325 5 5 0 -31.2812840929449 2434380 CCN(C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F)C(C)C 1 3.72 2 4 -13.9691411396848 2434372 C1CCC(C1)CCC(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 3.7 1 3 -12.74649796506 2434365 CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2 1 2.486 2 3 -12.5221306136635 2434363 CC1(CC(=O)C(C(=O)C1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C 1 3.173 1 3 -5.77594575151723 2434356 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)OC)OC 1 1.381 3 6 0 -25.1728651859115 2434351 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=C(N=C3)Cl)Cl 1 2.287 3 5 0 -23.0149743367768 2434344 CCOC(=O)CCCNC(=O)COC(=O)C1=CC=C(C=C1)O 1 1.128 1 6 0 -20.321690491721 2434342 CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)O 1 3.018 1 4 -8.80174399833304 2434339 CN(C)C1=CC=C(C=C1)CC(=O)C2=NC3=CC=CC=C3S2 1 3.921 2 1 -2.76863741604426 2434337 C1=CC(=C(C(=C1NC(=O)COC(=O)C2=CC(=CN=C2)Br)F)F)F 1 2.536 2 3 -9.65037708410484 2434321 CC1=CC(=CC(=C1)C(=O)OCC(=O)N2CCCCCC2)C 1 3.296 1 3 -10.7006251478302 2434314 C1COCCN1C(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl 1 1.026 2 4 0 -12.3445374456473 2434303 C1CC(C1)C(=O)OCC(=O)NCC2=CC=CC=C2Cl 1 2.542 1 3 -12.0270394240065 2434292 COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCNCCO)SC4=C3CCCC4 1 4.029 3 3 -23.1807271874021 2434285 C1=CN=CC=C1C(=O)OCC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl 1 3.164 2 3 -6.580838957559 2434260 CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)NC2CCCC2 1 2.309 2 3 -15.3481283897661 2434245 C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.092 2 6 0 -14.8950500510863 2434232 CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2CCCCC2 1 2.765 2 3 -13.8632182798893 2434226 CSC1=CC=C(C=C1)C=NN2C(=NNC2=S)CC3=CC=C(C=C3)Br 1 5.072 4 0 -2.47088447446825 2434181 COC1=CC=C(C=C1)CCNC(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N 1 4.159 2 3 -8.10362020758352 2434176 CC(C)NC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2 1 2.875 1 4 -18.3350492917135 2434169 C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CO3 1 3.06 2 4 -14.5696332228369 2434131 CC1=C(C=C(C=C1)N2C(=C(C(=N2)CN3CCOCC3)C4=CC=CC=C4)N)Cl 1 4.079 4 1 4.03335905838484 2434127 C1=CC=C(C=C1)C2=C(N(N=C2CSC3=NC4=CC=CC=C4N3)C5=CC=CC(=C5)C(=O)O)N 1 4.98 5 2 0 -1.35477761554929 2434122 C1=CC=C(C=C1)C2=C(N(N=C2CSC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)C(=O)O)N 1 4.98 5 2 0 -1.46813395652249 2434116 C1=CC=C(C=C1)C2=C(N(N=C2CSC3=NC4=CC=CC=C4N3)C5=CC(=CC=C5)Cl)N 1 6.014 5 0 5.60616046146428 2434104 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)SC(F)F 1 7.071 2 0 -10.5183661203126 2434101 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=COCCO3 1 1.163 2 6 0 -6.26905109612517 2434094 C1CCC(CC1)SCC(=O)NC2=NC=CS2 1 2.287 2 1 -8.42833602055809 2434074 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 2.583 3 6 0 -9.78933605855326 2434061 COC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.801 3 4 0 -7.32553216231239 2434058 COC1=CC(=C(C=C1)NC(=O)CN2C(=O)C3(CCCC3)NC2=O)OC 1 1.12 3 5 0 -11.5130210785427 2434031 C1=CC=C(C(=C1)C(=O)CSC2=CC=CC=[N+]2[O-])Br 1 2.92 1 2 -3.6895158310032 2434018 COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-] 1 3.392 2 8 0 -10.2000841418169 2434011 C1=CC=C2C(=C1)C(=CN2)C(=O)CN3C=NC4=CC=CC=C4C3=O 1 2.505 3 2 -4.28110455588533 2433969 CCN(CC)C1=CC(=CC=C1)OCC(=O)N(C)CCC#N 1 1.917 3 2 0 -13.9394124704292 2433953 C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)NCC4=CC=CS4 1 3.745 1 4 -12.3443293840578 2433921 C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)NC3=C(C=C(C=C3)F)F 1 3.172 2 3 -14.2144012033088 2433912 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.617 3 4 0 -13.0404435440546 2433902 C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3 1 4.054 1 4 -15.6488867895087 2433875 CC1=NC=C(N=C1)C(=O)OCC(=O)NC(C)C 1 -0.119 3 3 0 -20.7667255203125 2433855 CCCN1C(=O)C2=C(N=C1SCC(=O)NCC)SC3=C2CCC3 1 3.231 3 2 -30.8131146000442 2433848 CCCN1C(=O)C2=C(N=C1SCC(=O)NC)SC3=C2CCC3 1 2.882 3 2 -29.8430746724856 2433839 CCCN1C(=O)C2=C(N=C1SCC(=O)NCC=C)SC3=C2CCC3 1 3.499 3 2 -34.6525885255766 2433828 CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)OC 1 2.134 1 4 -10.8578324722056 2433797 C1=CC=C(C(=C1)C(=O)O)SCC(=O)NCC2=CC=CO2 1 1.826 1 4 0 -16.5324519128078 2433789 C1CCN(C1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 1.136 2 4 0 -13.5510777527024 2433778 CC(C)(C)CC(C)(C)NC(=S)NN1CCN(CC1)C 1 2.626 4 0 -8.8799476943457 2433772 CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.02 2 5 0 -17.4301248486041 2433741 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 3.438 1 5 -8.33185078383407 2433735 C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=CC(=CN=C2)Br)Cl 1 2.59 2 3 -14.7699749471084 2433711 CCN(C1=CC=C(C=C1)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C(C)C 1 4.173 3 3 -13.7699695399536 2433710 CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CSC4=NN=C(N4CCOC)C5=CC=NC=C5 1 4.692 5 2 0 -10.2570044294616 2433703 CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 1.931 2 5 0 -17.7059209034974 2433701 CC1=CC=C(C=C1)CNC(=O)COC(=O)COC2=CC=C(C=C2)C#N 1 2.529 2 4 -15.4007400410484 2433695 CC1=C(C(=NO1)C)COC(=O)CC2=CC(=C(C=C2)Cl)Cl 1 3.514 1 3 -10.0053202513494 2433682 CC1=C(C(=NO1)C)COC(=O)C2=CC3=C(C=C2)OCO3 1 1.919 1 5 0 -13.6017727406101 2433674 CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CN=C(C=N2)C 1 1.224 3 3 0 -17.6771328404613 2433642 C1=CC(=CC(=C1)Br)OCC(=O)OCC(=O)NC2=C(C=C(C=C2)F)F 1 3.316 1 4 -7.91763997662771 2433632 CCNC(=O)COC(=O)C1=C(N(C(=C1)C)C2=CC=CC=C2)C 1 2.261 2 3 -13.0848101800668 2433615 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl 1 2.571 2 5 0 -24.2973358852976 2433611 C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CO3 1 3.07 1 5 -13.537658034458 2433606 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=C(N=C3)Cl)Cl 1 2.484 2 5 0 -14.8099414564238 2433574 CCN(CC)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F 1 3.342 2 4 -15.0839779639741 2433559 CC1=C(C(=NO1)C)COC(=O)CCC(=O)C2=CC=C(C=C2)F 1 2.311 1 4 -13.7545755902958 2433558 CC1=C(C(=NO1)C)COC(=O)CC2=CC=C(C=C2)Cl 1 2.85 1 3 -10.1932476145382 2433535 COC1=C(C(=CC=C1)OC)C(=O)OCC(=O)NCC2=CC=CO2 1 1.477 1 6 0 -15.5915024759433 2433528 C1CCC(CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 2.845 2 5 0 -24.9740815380694 2433525 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O 1 1.043 3 6 0 -19.4013776462318 2433510 CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCC2)OCC 1 2.812 1 5 -17.7973249899001 2433509 CCN(C1=CC=CC=C1)C(=O)COC2=C3C=CSC3=NC=N2 1 2.825 3 2 -10.0381471494723 2433498 CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2Cl)F)F 1 3.226 1 3 -8.95896633689123 2433495 CC(C)CNC(=O)COC(=O)C1=CC(=CN=C1)Br 1 1.534 2 3 0 -14.2200218198685 2433451 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC2CCCC2 1 2.132 1 6 0 -15.0698960188362 2433444 C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)O 1 2.485 0 6 -10.3377850792049 2433431 C1=CC(=C(C=C1F)F)NC(=O)COC2=C3C=CSC3=NC=N2 1 2.682 3 2 -6.8994358090213 2433423 CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)F 1 2.309 2 6 0 -23.6310180527801 2433422 CCC(CC)NC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)Cl 1 3.138 1 4 -12.2307248906976 2433412 CCC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2 1 3.266 1 3 -10.1002823708299 2433399 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C 1 3.056 1 7 0 -25.8964932558199 2433393 C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F 1 2.667 2 4 -14.2536566360828 2433385 C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.464 3 6 0 -12.7042420266917 2433328 CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)NC2=CC=C(C=C2)C(C)C 1 2.524 2 4 -10.1732747882765 2433318 CCCN1C2=CC=CC=C2C(=NOCC(=O)NC3=CC=C(C=C3)C(C)C)C1=O 1 3.685 3 3 -2.22041164494097 2433287 CC1=CC(=NC(=N1)C(C)C)OCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 4.145 3 3 -8.48517115102947 2433271 CCCCNC(=O)CSC1=NC2=C(N1)C=C(C=C2)C 1 3.303 3 1 -11.4496728489354 2433268 C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl 1 2.761 1 5 -13.3987516095011 2433260 C1=CC=C2C(=C1)NC(=N2)COC3=CC=C(C=C3)Br 1 3.854 2 1 2.31185147165528 2433231 CC(C)N(C(C)C)S(=O)(=O)C1=CN=C(C=C1)Cl 1 2.122 2 2 -5.30347472304821 2433229 CCOC1=C(C=CC(=C1)C(=O)O)OCCOC2=CC=CC=C2 1 3.408 0 5 -7.55714591841867 2433226 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)Cl 1 1.367 2 2 0 -10.4358263729437 2433225 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)Cl 1 3.837 2 2 -8.64674715729301 2433221 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)Cl 1 2.595 2 2 -8.80017091505257 2433210 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=CC=CC4=CC=CC=C43 1 3.755 2 5 0 -24.3925904124268 2433206 C1COCCN1C(=O)COC(=O)C2=C(C=C(C=C2)F)Cl 1 1.508 1 4 0 -7.95355286551412 2433205 C1CCCC(CC1)NC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl 1 3.447 2 3 -12.1173286620975 2433201 C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)Cl 1 1.587 2 2 0 -14.0530585962483 2433193 CNC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.018 2 7 0 -16.3006061577182 2433184 CCCCNC(=O)COC(=O)C1=C(C=C(C=C1)F)Cl 1 2.943 1 3 -11.1599841406897 2433167 CCNC(=O)COC(=O)CNC(=O)C1=CC(=CC(=C1)Cl)[N+](=O)[O-] 1 0.712 3 6 0 -14.9868657801674 2433165 C=CCNC(=O)COC(=O)CNC(=O)C1=CC(=CC(=C1)Cl)[N+](=O)[O-] 1 0.98 3 6 0 -18.6080404024926 2433163 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3 1 1.817 2 6 0 -18.7235971092493 2433161 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)O)OC 1 1.892 1 5 0 -14.426039584375 2433158 CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2CCCC2 1 3.089 1 3 -11.0869015228877 2433152 COC1=CC=CC=C1N2C=NNC2=S 1 1.919 3 1 0 -4.22444594697406 2433150 CC1=CC(=C(C=C1)C)OCC2=NNC(=S)O2 1 3.351 2 2 -3.92027586285941 2433139 CCOC(=O)CCCNC(=O)COC(=O)C1=CC(=CC=C1)F 1 1.576 1 5 0 -22.1656563599195 2433103 CC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCCCCC2)[N+](=O)[O-] 1 2.705 2 5 0 -15.1168482002004 2433099 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C)C 1 3.015 2 4 -14.8626617728088 2433078 CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2OC3=CC=CC=C3 1 3.711 1 4 -9.00158513612691 2433070 CC(C)NC(=S)NN=CC1=CN(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3 1 5.098 5 2 0 -1.90895037299583 2433057 CC(C)(C)NC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)F 1 1.837 1 4 0 -15.8417927780841 2433052 C1COC(=CO1)C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 1.23 2 5 0 -4.19616158606823 2433040 CC1=CC=CC=C1NC(=O)COC(=O)CCSC2=CC=CC=C2 1 3.449 1 3 -11.9374678128758 2433036 CNC(=O)COC(=O)C1=CC(=C(C=C1Cl)F)F 1 1.82 1 3 0 -8.6549944086519 2433035 CCOC1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.563 1 5 -16.2730554952042 2433025 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCC2)C 1 3.119 1 3 -11.5593761558238 2433022 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCOCC2 1 0.453 2 6 0 -21.4420639679815 2433008 CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2)Br 1 3.465 1 4 -16.3479788440184 2432990 CCCNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2 1 1.86 2 5 0 -27.6477401101184 2432979 CC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2 1 1.713 2 5 0 -29.0553915772691 2432977 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCCC3=CC=CC=N3)C 1 3.293 4 2 -13.2272885738931 2432968 C1CCC(CC1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.512 1 4 -18.176277296 2432964 C1CC(C1)C(=O)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 3.154 2 3 -7.07712177832139 2432961 CCCNC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)F 1 1.778 1 4 0 -15.8684326970296 2432955 C1COCCN1C(=O)COC(=O)C2=CC=C(C=C2)O 1 0.396 1 5 0 -9.54926657368727 2432951 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=C(C=C3)O 1 1.172 3 5 0 -17.6044388034522 2432945 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.589 2 6 0 -27.1530670624654 2432936 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CN=C(C=C3)Cl 1 1.622 3 5 0 -24.8639667844276 2432869 CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)NCC2=CC=CO2 1 1.672 2 4 0 -18.886432674899 2432862 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N 1 2.443 3 5 0 -22.655124511693 2432854 CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC2=C(C=CC(=C2)C(=O)C)OC)C 1 3.024 1 5 -15.0143367147796 2432845 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=O)NC4=CC=CC=C43 1 3.054 2 2 -13.8690491712423 2432838 C1=CC=NC(=C1)CCNS(=O)(=O)C2=CC(=C(C=C2)F)F 1 2.048 2 2 -5.86999790087498 2432823 C1=CC(=CC=C1CNC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl)Cl 1 4.299 1 3 -11.2298401490962 2432784 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC=CS3 1 2.05 1 5 -15.8837271692462 2432781 CC1=C(C(=NO1)C)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC(=C(C=C3OC)OC)Cl 1 3.476 2 7 0 -23.3817194329667 2432780 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CO4 1 3.419 3 4 0 -7.18562398219598 2432762 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC2CCCCC2 1 2.589 1 6 0 -15.4243645330043 2432757 CN1C(=NN=C1SCCOC2=CC=C(C=C2)F)C3=CC=NC=C3 1 3.095 4 1 -2.49811067971299 2432753 CC1=C(SC=C1)C(=O)OCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.854 3 4 0 -22.9941025621143 2432746 C1=CC(=CC=C1NC(=O)COC(=O)C2=CC=C(O2)Br)Br 1 3.033 1 4 -8.59612998053023 2432738 C=CCNC(=O)COC(=O)COC1=CC=C(C=C1)Cl 1 1.861 1 4 0 -13.1750388730861 2432730 C1=CC(=CC=C1NC(=O)COC(=O)C2=NC=CN=C2)Cl 1 1.113 3 3 0 -9.36060793864667 2432722 CC1=C(C(=NO1)C)COC(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 1.875 2 4 0 -15.8605355862763 2432720 C1CCCN(CC1)C(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl 1 2.711 2 3 -10.7762409958717 2432719 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)N2CCC3=CC=CC=C32 1 3.044 1 6 0 -18.3206753922545 2432693 C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 2.769 3 3 -12.0083420960262 2432682 CC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)Br)Cl 1 2.884 1 3 -13.3650252027417 2432659 CC1=CC(=CC(=C1)N(CCC(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C 1 4.134 1 4 -11.682079653327 2432653 C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)C#N 1 2.203 2 3 -12.4865833847215 2432637 COC1=CC(=CC(=C1OC)NC(=O)C2=CC=CS2)C(=O)O 1 2.165 1 5 -9.86065518070723 2432603 CCCCNC(=O)COC(=O)C1=C(C=CC(=C1)Br)Cl 1 3.486 1 3 -12.6632550344026 2432582 CC1=CC(=CC(=C1)N(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl)C 1 3.89 1 4 -9.17871947372195 2432558 CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)O 1 2.213 2 3 -12.5721111041742 2432553 CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=CN=C2)Br 1 2.412 2 3 -13.4063355166249 2432552 COC1=CC(=C(C=C1)O)C(=O)C2=COC(=N)C(=C2)C(=O)NC3=CC=C(C=C3)SC(F)F 1 3.592 2 5 0 -4.94575644424954 2432541 CC1=C(SC=C1)C(=O)OCC(=O)NC2CCCC2 1 2.586 1 3 -14.1689564402978 2432538 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4 1 0.894 2 8 0 -28.8052075156881 2432508 C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)OCC(=O)N 1 2.562 1 3 -3.6040082814023 2432504 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CC3=CSC=C3 1 0.823 2 6 0 -26.9355345267245 2432485 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)NC2CCCCCC2)C 1 3.867 1 4 -12.165453287602 2432484 CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC(=O)C=C(N2)N)C)C 1 1.079 4 4 0 -13.2950348519501 2432477 COC(=O)CNC(=O)CN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 0.368 2 5 0 -11.9926100283451 2432471 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CO3 1 2.204 2 6 0 -25.0664705431747 2432465 C1=CC(=CC=C1C(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)F)F)F 1 2.893 1 4 -10.9857507372772 2432464 CC1=C(C(=NO1)C)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 2.641 2 5 0 -26.0759628481876 2432458 CCNC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)F 1 1.254 1 4 0 -12.6744908569834 2432456 CCCCNC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)F 1 2.234 1 4 -16.5743139958411 2432437 CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.442 1 6 0 -11.344677720592 2432435 C1=CC(=C(C=C1F)Cl)NC(=O)COC(=O)CC2=CSC=C2 1 2.888 1 3 -9.76861912338492 2432433 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N 1 0.573 2 5 0 -22.8283952771312 2432431 C1=CN=C(C=N1)C(=O)OCC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl 1 2.442 3 3 -8.72345487510033 2432428 CC(C)NC(=O)NC(=O)COC(=O)CCOC1=CC=C(C=C1)OC 1 1.318 2 6 0 -15.8400161121383 2432422 CC1=C(C=CC(=C1)C(=O)OCC(=O)N(C)C2=CC=CC=C2)[N+](=O)[O-] 1 2.908 2 5 0 -13.3175884365783 2432412 CC1=CC(=C(C=C1)NC2=NN=C(S2)SCC3=C(C=CC(=C3)C(=O)C)OC)C 1 4.579 3 2 -13.9479560187791 2432411 C1CN(CCN1C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2)C(=O)C4=CC=CO4 1 1.015 2 7 0 -12.6452397973954 2432409 C1=CC(=CC=C1NC(=O)COC(=O)CC2=CSC=C2)Br 1 2.766 1 3 -10.2730965409111 2432408 COC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.093 1 6 0 -10.3191434007211 2432404 CC(C)(C)NC(=O)COC(=O)C1=CN=C(C=C1)Cl 1 1.399 2 3 0 -16.5920060336986 2432395 COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NC=CN=C2)Cl 1 1.097 3 4 0 -11.9463785380147 2432389 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC(=CC=C2)N(C)C 1 3.154 1 4 -11.6579142717903 2432384 CCNC(=O)COC(=O)C1=CC(=O)NC2=CC=CC=C21 1 0.476 2 4 0 -16.4386900695024 2432358 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N)Cl 1 1.694 2 5 0 -21.3408596037362 2432352 C1CCC(C1)NC(=O)COC(=O)C2=CC(=CN=C2)Br 1 1.745 2 3 0 -12.1943460495774 2432342 CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)Br 1 2.771 3 4 0 -14.80795348522 2432333 CCC(CC)NC(=O)COC(=O)C1=C(C=CC(=C1)Br)Cl 1 3.931 1 3 -9.42978759438062 2432328 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CO3 1 2.274 2 5 0 -16.8416100828663 2432318 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 1.815 5 4 0 -4.64951486493506 2432312 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NCC4=CC=CO4 1 2.278 2 6 0 -30.7085460753094 2432304 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2OC)OC)OC 1 3.416 1 6 0 -12.8226504970311 2432301 CC1=C(C(=NO1)C)COC(=O)C2=CC3=C(C=C2)OCCO3 1 1.936 1 5 0 -15.0470738941786 2432299 CC1=CC(=CC(=C1)NC(=O)COC(=O)CCC2CCCC2)C 1 4.001 1 3 -11.0883714885844 2432250 CC(C)(C)NC(=O)NC(=O)COC(=O)CCOC1=CC=CC=C1OC 1 1.523 2 6 0 -18.5201915940926 2432214 CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4 1 3.14 6 0 -9.81535727215612 2432205 C1CCN(C1)C(=O)COC(=O)C2=CN=C(C=C2)Cl 1 1.135 2 3 0 -12.1953310123364 2432199 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)OCC(=O)NC4=C(C=C(C=N4)Cl)Cl 1 5.418 4 3 0 5.71536113887492 2432140 CC(=O)NCCC(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)OC 1 0.613 2 5 0 -15.3868586645945 2432137 C1COCCN1C(=O)COC(=O)C2=CN=C(C=C2)Cl 1 0.361 2 4 0 -14.1180959762801 2432123 COC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.122 3 3 -7.03416031953791 2432116 C1COC2=C(O1)C=CC(=C2)C(=O)OCC3=CC=CC=C3F 1 3.26 0 4 -7.80236812150393 2432108 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=C(C=C3OC)OC)OC 1 1.365 3 7 0 -24.4623017254787 2432079 CC1=C(C(=NN1CC(=O)NCCC2=C(C=C(C=C2)Cl)Cl)C)[N+](=O)[O-] 1 3.095 4 3 0 -13.9157087348048 2432075 C1COCCN1C(=O)COC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3 1 0.772 2 7 0 -20.3707254991361 2432071 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=CN=C3)Br 1 1.694 2 5 0 -15.2414273580717 2432056 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)N 1 -0.304 4 7 0 -21.0470929921923 2432031 CC1=CC(=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C 1 3.569 3 2 -3.76077627102556 2432028 CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C(=O)NCCC3=CC=CC=C3)CCC4=CC=CC=C4 1 4.468 2 4 -5.87363662359292 2432020 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4 1 1.007 2 8 0 -22.7363529660009 2432016 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4 1 3.099 3 4 0 -15.4495828110302 2431998 CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2N 1 2.361 2 1 -7.27317856010008 2431997 CC1=CC=C(S1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=CC=N3 1 0.154 5 2 0 -7.71754652873169 2431987 COCCCN1C(=O)C2=C(NC1=S)SC3=C2CCCC3 1 3.243 2 2 -11.5444827709669 2431979 CCC1=CC2=C(S1)NC(=S)N(C2=O)C3=CC=CC=C3 1 4.317 2 1 -5.72653792200473 2431974 CCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3O 1 2.023 3 4 0 -7.45874128114066 2431957 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCNCC2)C)C 1 2.313 2 2 -11.5347978535163 2431940 C1CN(CC2=CC=CC=C21)C(=O)C3=NNC(=O)C=C3 1 0.991 3 2 0 -16.7716738759079 2431914 CC1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=CC=CC=C3 1 3.153 2 1 -4.41877414415331 2431907 C1C(=O)C(=C(N1C2=CC(=CC=C2)O)N)C3=CC=CC=C3 1 2.425 2 2 -1.66936861673942 2431903 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)SC(F)F)C3=CC=C(C=C3)O 1 3.707 3 2 -7.80101802067112e-002 2431901 C1C(=O)C(=C(N1C2=CC=CC=C2)N)C3=CC=CC=C3 1 2.667 2 1 -4.97310880134379 2431822 CC(C)CNC(=O)COC(=O)C1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)Br 1 3.305 2 5 0 -14.9238153856251 2431807 CC1(CC(=O)C(C(=O)C1)CC(=O)N2CCC(CC2)CC3=CC=CC=C3)C 1 2.853 1 3 -9.06582970587082 2431769 CCCCNC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC 1 3.305 2 4 -11.3517086215191 2431739 CCN1C(=NC2=C1C=CC(=C2)C(=O)N3C=C(C=N3)C(=O)C4=C(C=CC(=C4)Cl)O)C 1 4.085 4 3 0 3.22949326079664 2431729 C1=CC=C(C=C1)/C=C(/C=NNC2=NC3=CC=CC=C3N2)\Br 1 3.681 4 0 6.48109020747839e-002 2431704 CC1=CC=C(C=C1)NC(=O)CNC2=CC=CC=C2CN(C)C3CCCCC3 1 4.693 3 1 -6.83298951589019 2431695 CC1=CC(=C(C=C1NCC(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-])C 1 3.4 4 3 0 -6.45184672714928 2431670 CCCNC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC 1 2.849 2 4 -14.2629374317536 2431667 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)O)OC 1 3.532 0 6 -9.49412410521033 2431644 CCOC(=O)C1=CC(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.788 4 6 0 -8.9491318910204 2431643 CC1=NN(C(=C1)NC(=O)C(C)C)C2=NC3=CC=CC=C3S2 1 3.338 4 1 -7.10588646533406 2431635 CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2CCCCCC2)C 1 4.032 1 3 -9.03940692410145 2431631 CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.392 2 5 0 -26.1193345758845 2431629 C1=CC(=CC=C1C(=O)N)NC(=O)COC(=O)C2=CC=C(O2)Br 1 1.287 2 5 0 -12.4524750288798 2431627 C1=C(SC(=C1)Cl)C(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 4.624 1 3 -5.20049757609752 2431598 CCC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 2.998 5 1 -15.06232097608 2431594 CCC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 3.427 5 1 -13.0128510865056 2431573 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC(=C(C=C3)Cl)Cl 1 3.604 3 4 0 -15.1070275464242 2431552 C1CN(CCC1CC2=CC=CC=C2)/C=C/C#N 1 2.856 2 0 2.13558769303415 2431540 CCOC(=O)CCCNC(=O)COC(=O)C1=CC(=CC(=C1)C)C 1 2.342 1 5 -23.0413455156395 2431535 C1=CC(=C(N=C1)Cl)C(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.993 1 3 -2.39799470507954 2431533 CC\1(C2=CC=CC=C2N(/C1=C/C(=O)COC3=CC=CC=C3OC)C)C 1 4.038 1 3 2.77805082640303 2431502 CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=NC=CN=C2 1 1.388 3 3 0 -13.6736610504419 2431499 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCC3=CC=CC=C3 1 1.894 2 4 0 -22.4512592185713 2431484 COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=C(C=CC=C2OC)OC 1 2.875 0 7 0 -9.95141129414839 2431436 C1CSC(=N1)NC(=O)C2=C(C3=C(C=C(C=C3S2)Cl)Cl)Cl 1 5.249 2 1 -5.54000134908337 2431423 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CS3 1 3.074 2 4 -9.67890374209719 2431402 COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2CCCCCC2)OC 1 3.026 1 5 -10.6933572568216 2431399 CCCN(CC1CC1)C(=S)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.945 3 4 0 -28.1120988618612 2431382 CC(C)CNC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)Cl 1 2.556 1 4 -13.7017595281173 2431370 C1CCC(CC1)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 1 3.218 2 3 -12.9415023373846 2431357 COC1=CC=CC=C1NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.214 1 5 -18.7229751084321 2431349 C1COCCN1C(=O)COC(=O)C2=CC=C(C=C2)C#N 1 0.517 2 4 0 -14.0548798344971 2431340 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(O3)Br 1 2.134 2 5 0 -9.47301734828755 2431328 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.075 1 8 0 -15.4339698724568 2431326 C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)C3=NC=CN=C3 1 1.357 3 3 0 -12.1589543843398 2431297 C1CN(CCN1C(=O)COC(=O)C2=CC(=CC=C2)F)C(=O)C3=CC=CO3 1 1.433 2 5 0 -10.5633639343437 2431286 CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)O 1 2.571 0 4 -6.42466579056257 2431283 CCCCNC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)Cl 1 2.693 1 4 -15.4641923307196 2431278 COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2CCCC2)OC 1 2.114 1 5 -10.3388887426536 2431273 CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCOCC2 1 0.801 2 4 0 -14.0904270634391 2431253 C1CCC(CC1)CCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 2.49 2 3 -19.3329608008478 2431180 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3 1 3.195 3 3 -7.76015333489384 2431169 CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 3.202 1 4 -16.9435507666822 2431161 CC(C)[C@@H](C(=O)OCC1=CC(=O)N2C=C(C=CC2=N1)Br)NC(=O)C3=CC=CC=C3Cl 1 2.934 3 4 0 -24.508859496763 2431158 CNC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)Cl 1 1.364 1 4 0 -11.0405576541747 2431157 CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3N=C2 1 3.621 3 3 -6.37635121742197 2431156 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CN=C(C=C3)Cl 1 1.812 2 5 0 -13.8360885449793 2431145 C1CCC(C1)NC(=O)COC(=O)C2=CC=C(C=C2)C#N 1 2.026 2 3 -13.4732025367793 2431144 COC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2)OC 1 2.197 1 6 0 -20.423984883385 2431142 CC(C)(C)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 1.254 2 5 0 -27.8874985469552 2431124 CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.105 2 5 0 -22.0460322761389 2431096 C1CCC(C1)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)F)Cl 1 3.899 1 3 -9.75435720972469 2431083 CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2)F 1 2.801 1 5 -8.49312398238463 2431073 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F 1 5.163 3 5 0 -30.355181504284 2431072 CC1=C(SC=C1)C(=O)OCC(=O)N2CCOCC2 1 1.078 1 4 0 -14.7506337380156 2431054 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC(=O)NC5=CC=CC=C54 1 3.948 4 3 0 -26.6881257143672 2431045 CC1=CC(=C(O1)C)C(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC 1 2.303 0 6 -12.012829030701 2431043 C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CC=NC=C3 1 3.517 2 3 -9.21931787551204 2430972 CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)O 1 1.959 2 3 0 1.73666262185543 2430929 C/C=C/C1=CC(=C(C=C1)OCCCCN2CCC(CC2)C)OC 1 4.701 1 2 -3.79871106475908 2430923 C1CCC(C1)(C#N)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 4.603 1 1 -4.21855511129519 2430921 CC(=O)N1CC(=O)N=C1SCC(=O)NC2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.686 4 3 0 -11.470957810972 2430915 CC1=C(SC(=N1)NC(=O)CSC2=NC(=O)CN2C(=O)C)C3=CC=CC=C3 1 2.021 4 3 0 -13.2936108985079 2430892 CN1CCN(CC1)CC(=O)NC2=NC(=CS2)C3=CNC4=CC=CC=C43 1 2.151 5 1 -0.626153651650864 2430888 COC1=CC=C(C=C1)C2=C(SC(=N2)NC3=CC=C(C=C3)Br)CCC(=O)OC 1 4.635 2 3 -3.65542122307533 2430880 COC1=CC=C(C=C1)C2=C(N=C(S2)NC3=C(C(=C(C=C3)F)F)F)CCC(=O)NN 1 3.158 4 2 -0.38353709496875 2430858 CCC1=CC=C(C=C1)OP(=O)(C)NC2=CN=CC=C2 1 2.165 2 2 4.43844989043462 2430790 C1=CC=C(C=C1)CNC(=O)CCCSC2=NC3=CC=CC=C3N2 1 3.641 3 1 -15.5784868752761 2430776 CCC1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.144 2 4 -6.29198279798969 2430772 CC(C)NC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)F 1 0.938 2 3 0 -14.364587006649 2430757 CC1=CC(=C(C(=C1)C)NC(=O)/C(=C/C2=CC=CO2)/C3=CC=CC=C3)C 1 5.414 1 2 -5.1044051329368 2430746 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3Cl 1 4.804 1 1 -5.29945346112806 2430743 CCNC(=O)COC1=C(C=C(C=C1)C=O)OC 1 0.965 1 4 0 -14.4881652096695 2430732 C1CCC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C(=O)N2CC1 1 3.2 3 2 -14.2567826956259 2430726 C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCC5=CC=CC=C54)C(=O)N2CC1 1 3.268 3 2 -16.9756287064076 2430715 COCCCNC(=O)CN1C2=CC=CC3=C2C(=CC=C3)C1=O 1 0.89 2 3 0 -12.3755560844279 2430699 C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 1.541 6 4 0 -8.94944455243089 2430673 CC1=CC(=C(C=C1)C)OCC(=O)NN2C(=NC3=CC=CC=C3C2=O)C 1 2.676 3 3 -9.03288675312735 2430649 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C=C(C=C3)Br)F 1 3.578 2 3 -2.97844823394892 2430629 CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C)C)C 1 5.144 3 4 0 -19.497408085111 2430520 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.262 3 3 -14.2791082595397 2430456 CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2CCCCC2)C 1 4.242 1 3 -8.30864565807441 2430470 C1CCCC(CC1)NC(=O)COC(=O)C2=CN=C(C=C2)Cl 1 2.782 2 3 -13.8908871927303 2430509 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.347 3 6 0 -14.6738414435374 2430507 CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2CCCC2)C 1 3.119 1 3 -11.687244299888 2430506 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=C(C=CC=C3F)F 1 2.5 1 5 -12.0000587065478 2430504 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=C(C=CC=C3F)F 1 2.507 1 5 -14.6830661614215 2430492 CCC1(C(=O)N(C(=O)N1)CC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)OCC)CC 1 2.614 3 6 0 -11.074661948005 2430490 CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=NC=CN=C2 1 0.942 3 3 0 -15.126929712144 2430487 CC1=CC=C(C=C1)CNC(=O)COC(=O)CC2=CC(=C(C(=C2)OC)OC)OC 1 2.8 1 6 0 -16.4170580393803 2430446 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CN=C(C=C3)Cl 1 2.781 2 3 -14.1221754509101 2430426 CC1=CC=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC=CO2 1 1.262 2 5 0 -13.5328141303237 2430400 CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CO3 1 2.44 4 2 -11.3831193829491 2430396 C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.811 3 5 0 -17.7092911104275 2430393 CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2)C 1 3.202 1 4 -17.9272501799662 2430380 C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=CC=CO2)Cl 1 2.388 1 4 -12.5159738897149 2430376 CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 3.424 1 4 -14.8814493863355 2430350 CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=C(C=N2)C 1 2.293 2 3 -14.5021238020515 2430334 C1=CC=C2C=C(C=CC2=C1)NC(=O)CCCC3=CNC4=CC=CC=C43 1 4.763 2 1 -7.00437052315582 2430333 CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=CC=CO3 1 2.272 2 2 -10.0877989207858 2430332 C1CCC(=CC1)CCNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)Cl 1 4.204 1 3 -10.4956985555881 2430327 C1=CC=C(C=C1)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)N)Cl 1 4.145 2 5 0 -13.9171550943018 2430298 C1CN(C2=CC=CC=C21)C(=O)CN3C(=O)C(=C(C=N3)Cl)Cl 1 1.555 3 2 0 -4.90677277274959 2430287 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43 1 1.464 4 4 0 -26.7147576869229 2430272 C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)C3=CC=C(S3)Cl 1 3.968 1 3 -6.02131153983029 2430271 CC1=C(C(=CC=C1)C)NC(=S)N2CCCN(CC2)C 1 4.04 3 0 -8.70714232361852 2430266 C1=COC(=C1)C(=O)NCC(=O)OCC(=O)NCC2=CC=C(C=C2)F 1 0.989 2 5 0 -15.483744599809 2430245 CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)SC(F)F 1 5.575 1 4 -11.0935821720669 2430235 CC1=NN(C(=C1C=NNC(=O)CNC2=CC=CC=C2F)Cl)CC3=CC=C(C=C3)Cl 1 4.188 5 1 -8.83417822801295 2430213 C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N 1 2.915 1 4 -8.42410754523693 2430212 CN(C1=CC=CC=C1)C(=O)CON=CC2=CC=C(C=C2)Cl 1 3.202 2 2 -0.604748340455052 2430173 CCOC1=CC=C(C=C1)CC(=O)NCC2(CCCCC2)N3CCCCC3 1 4.175 2 2 -11.5465531942041 2430168 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCCN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=O 1 3.117 2 5 0 -19.9569974087269 2430136 CCN1C(=NC2=C1C=CC(=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)C(=O)OCC)C 1 2.109 4 5 0 -12.8632344242761 2430134 C1COCCN1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F)Cl 1 2.534 3 4 0 -5.36768134981298 2430126 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N2CCC3=CC=CC=C32)C 1 2.823 2 5 0 -18.0239294866 2430122 CC1=CC=CC=C1NC2=NN=C(S2)SCC3=NC(=O)C4=CC=CC=C4N3 1 3.301 5 1 -11.3706552259253 2430108 CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.835 3 2 -4.04721712485679 2430079 C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4 1 5.304 4 2 -3.89145547662046 2430066 COC1=C(C=C(C=C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)F)S(=O)(=O)N4CCOCC4 1 2.268 3 5 0 -16.8003677347795 2430059 CCC1=NN=C(S1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)OC 1 2.386 4 3 0 -23.7504541250528 2430051 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CC3=CC=C(C=C3)Br 1 2.651 3 2 -9.19103665534821 2430049 C1=CC(=CC(=C1)F)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.518 3 3 0 -11.3337366008391 2430048 C1CN(C2=CC=CC=C21)C(=O)CCNC(=O)C3=CC=CC=C3Cl 1 2.867 2 2 -17.1042418825318 2430046 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=NNC(=O)C3=CC=CC=C32 1 1.516 4 3 0 -15.6784909221241 2430037 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)C#N 1 1.032 4 3 0 -9.57008192403234 2430016 CC1=CC(=NC2=NC(=NN12)C(=O)OCCOC3=CC=C(C=C3)Br)C 1 3.143 4 3 0 -11.5692440279047 2430007 CCCNC(=O)CN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 2.243 3 3 -13.5264698935798 2430004 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=C(NC(=C2C(=O)OCC)C)C 1 2.344 2 7 0 -18.9288114855953 2429975 CCCCNC(=S)N(C)N=CC1=CC=CC=C1F 1 3.971 3 0 -7.70015132203616 2429966 COC1=C(C=C(C=C1)CC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)OC 1 1.884 2 5 0 -17.7101798033533 2429936 CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NC2CC2 1 2.806 3 1 -11.6027617993138 2429930 CCOC1=C(C=CC=N1)C(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC 1 2.629 1 6 0 -13.8920964295512 2429922 CC(C)[C@@H](C(=O)OCC(=O)C1=CC=CC=C1F)NC(=O)C2=CC=CC=C2 1 3.533 1 4 -20.8729300865051 2429920 CC1=C(C=C(C=C1)C(=O)COC(=O)/C=C/C2=C(C(=CC=C2)OC)OC)C 1 4.348 0 5 -6.92266261247607 2429905 COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC(=O)C3=CC=CC=C3O 1 3.561 1 6 0 -17.9925016330061 2429899 C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)C(=O)N2CC1 1 3.157 4 2 -8.80156612253826 2429893 C1=CC(=C(C(=C1)Cl)COC(=O)C2=C(N=CC=C2)Cl)F 1 3.861 1 2 -4.48093929227984 2429889 C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=C(N=CC=C3)Cl 1 2.325 2 3 -12.4755733119823 2429887 C1CCCN(CC1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32 1 1.474 3 4 0 -17.4978520596459 2429871 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.955 3 4 0 -19.9915426648026 2429865 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CC3=CC=C(C=C3)Cl 1 2.795 1 5 -12.6242547465878 2429829 C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)Cl 1 2.988 1 3 -8.17655566125491 2429825 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.36 2 5 0 -12.160945959452 2429821 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NOC(=C4)C 1 4.074 4 3 0 -30.1964866811141 2429814 C1=CSC(=C1)C(=O)CCC(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 2.901 1 4 -17.2872334753108 2429809 C1CN(CCN1C(=O)CSC2=NC=NN2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.187 5 3 0 -24.8638605402053 2429802 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)C3=CC=NC=C3 1 2.146 2 4 -12.1441041453961 2429801 CC1=CC=C(C=C1)CNC(=O)COC(=O)C2CC2 1 1.908 1 3 0 -14.3470978865329 2429799 CC1=C(C=CC(=C1)NC(=O)COC(=O)C2CC2)Br 1 2.649 1 3 -10.2546568589777 2429793 CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3N2)C)C 1 3.273 3 3 -4.88744645371744 2429791 C1CCC(C1)NC(=O)COC(=O)C2=CC=C(C=C2)O 1 1.905 1 4 0 -8.96758927596946 2429777 COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2CC2 1 2.063 1 4 -10.7129212429381 2429771 C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=CC=CC=N2)Cl 1 2.271 2 3 -15.3842680961106 2429769 COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N 1 2.23 2 4 -14.6847487534809 2429767 C1CN(CCN1C2=CC=C(C=C2)O)C(=O)CCC3=CNC4=CC=CC=C43 1 3.415 3 2 -3.62296765696646 2429764 COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.409 2 5 0 -23.640362685102 2429750 CC1(CC(CC(N1)(C)C)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)C 1 4.064 3 1 -12.5666867106522 2429747 C1CCC(C1)C(=O)NC(=S)NC2=CC=C(C=C2)O 1 3.53 2 2 -2.69461856220202 2429732 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.879 2 6 0 -6.58304526095539 2429730 COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(O2)Br)OC 1 2.252 1 6 0 -13.6437159973704 2429726 C1=COC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 2.388 1 4 -9.23294154211982 2429712 COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2CCCCC2 1 3.431 1 4 -7.31824263719837 2429709 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC=C(C=C3)O 1 2.871 2 5 0 -4.97534692874356 2429698 C1CCC(CC1)C(=O)OCC(=O)NC2=CC(=CC=C2)Br 1 3.532 1 3 -5.54937965939735 2429639 C1CCC2=C(CC1)SC(=C2C#N)NC(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 3.404 3 5 0 -36.9837064197184 2429628 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)OC)OC 1 2.966 2 8 0 -22.3856278073891 2429607 CC1=CC=CC=C1NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 3.715 4 1 -15.8043712721079 2429594 CC(C)C1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)OC 1 5.594 2 1 -7.5736275207862 2429593 CC1=CC(=CC=C1)NC(=S)N2CCCCCC2 1 4.907 2 0 -8.73209102160778 2429582 CCN(C1=CC=CC2=CC=CC=C21)C(=S)NCC=C 1 4.739 2 0 -12.5932571960867 2429573 CC1=CC(=CC=C1)NC(=S)NNC2=CC(=CC=C2)Cl 1 5.19 3 0 2.30880852249703 2429566 COC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NCC=C 1 2.693 2 2 -14.1866384865175 2429565 CCC1=C(C(=CC=C1)CC)NC(=S)NCCC2=CC(=C(C=C2)O)O 1 5.817 2 2 -1.98125027284221 2429552 C1=CC=C(C=C1)CCNC(=S)NC2=NC=C(C=C2)Br 1 4.081 3 0 -9.82833915378936 2429545 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC3=C(C=C2)OCO3 1 1.879 2 5 0 -13.6267811045386 2429542 CC\1(C2=CC=CC=C2N(/C1=C\C(=S)NC(=O)C3=CC(=CC=C3)Br)C)C 1 5.129 2 1 3.32822591650943 2429522 CC1=CC(=C(C=C1)N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4N=N3)C 1 4.405 7 1 0 -28.7185921409565 2429521 COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CN2N=C(N=N2)C3=CC=CC=C3 1 1.816 5 5 0 -8.68881638236081 2429503 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)Cl 1 4.367 3 4 0 -19.0788426213668 2429460 C1=CC(=CC=C1NC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl)S(=O)(=O)N 1 1.414 3 5 0 -14.7009225659065 2429415 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC3=CC=CC=C3 1 3.013 2 2 -1.99403025725724 2429377 CN1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 0.752 2 4 0 -16.2919390910961 2429371 CN1CCCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.875 2 2 0 -11.279360876191 2429367 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])Cl 1 0.991 2 4 0 -12.5775432540939 2429317 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.096 3 3 -2.57853018473693 2429307 C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)NC(=O)N4)C5=CC=CC=C5F 1 4.017 6 2 0 -24.3206233352942 2429297 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CCOC2=CC=CC=C2OC 1 2.765 1 6 0 -15.7667273843934 2429281 CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Br 1 4.732 1 3 -2.7202753732151 2429254 C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.862 2 6 0 -14.9893078542759 2429244 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)/C=C/C2=CC(=CC=C2)F)C)C 1 3.203 1 5 -4.70955008254697 2429227 CCCN(CC1CC1)C(=O)CSC2=NC=NC3=C2C(=C(S3)C)C 1 3.783 3 1 -18.4986675459199 2429220 CC1=CC=C(C=C1)C2=CSC(=S)N2CC(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 4.216 2 3 -10.4272075111825 2429202 C1CN(CCN1C(=O)CSC2=NNC(=N2)N)S(=O)(=O)C3=CC=C(C=C3)Cl 1 0.962 6 3 0 -20.1795628625146 2429200 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)C2=CC=C(C=C2)O 1 2.262 2 7 0 -18.5065907071894 2429198 C1=CC=C(C=C1)CNC(=O)COC(=O)CSCC2=CC=CC=C2 1 2.729 1 3 -18.6740336176629 2429172 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)O 1 0.157 4 6 0 -16.8634026959942 2429170 CC1=C(SC=C1)C(=O)OCC2=NC(=O)C3=CC=CC=C3N2 1 2.64 2 3 -10.4589866322924 2429169 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)C 1 0.463 4 7 0 -21.5891946585622 2429167 C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 1.167 4 5 0 -18.4377348469963 2429165 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(C=C(C=C3)F)F)C(=O)O 1 1.862 3 4 0 -10.8829390239965 2429155 C1CN(CCN1C(=O)CSC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4 1 1.88 4 4 0 -29.0294942409896 2429151 CN(C)C(=O)CSC1=NN=C2N1C3=CC=CC=C3C(=O)N2CC=C 1 1.644 5 2 0 -21.5471856002033 2429141 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CCCOC2=CC=CC=C2 1 3.102 1 5 -14.8161329930365 2429131 COC1=CC=CC=C1/C=C/C(=O)OCC2=NC(=O)C3=CC=CC=C3N2 1 2.652 2 4 -6.81281045044954 2429118 CC1=C(NC(=C1C(=O)C)C)C(=O)OCCOC2=CC=CC=C2 1 3.074 1 4 -10.1732047598578 2429106 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC(=O)N 1 -7.8e-002 2 4 0 -12.9712828889982 2429104 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2 1 1.449 2 4 0 -16.7804524633145 2429100 CC1=CC=C(C=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 3.11 2 3 -6.07925710204856 2429082 CCCN1C(=C(C(=O)N(C1=O)CCC)C(=S)NC(=O)C(C)C)N 1 1.906 4 3 0 -12.5343246608117 2429076 CC\1(C2=CC=CC=C2N(/C1=C/C(=S)NC(=O)C3CCC3)C)C 1 3.93 2 1 6.25005132969932 2429069 CN(CC(=O)OCC(=O)N)S(=O)(=O)C1=CC=C(C=C1)Cl 1 0.172 2 5 0 -9.67573976352347 2429052 C1=CC2=C(C(=C1)SCC(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl)C(=CC=C2)Cl 1 5.283 2 3 -3.77852682530018 2429043 CCS(=O)(=O)NC1=CC=C(C=C1)NC(=O)C 1 0.21 2 3 0 -7.46636194964721 2429003 COCCN1C(=C(C(=O)NC1=O)NCC2=CC=CC=C2)N 1 -0.338 4 3 0 -7.69936211973797 2428993 C1=COC(=C1)C2=C(SC(=N2)N)C3=CC=CO3 1 2.627 2 2 8.03184446925792 2428985 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)O 1 2.474 1 5 -11.2486650262408 2428910 C1COCCN1CCCNC(=O)COC2=CC=CC=C2Cl 1 1.426 2 3 0 -11.4834177687795 2428881 COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4Cl)Cl)Cl 1 6.691 2 4 -6.34799793787443 2428876 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NC3=CC=CC4=C3C(=O)NC4=O 1 2.184 2 4 -7.63518916312394 2428874 C1=CC2=C(C(=C1)NC(=O)C3=C(N=CC=C3)Cl)C(=O)NC2=O 1 1.164 3 3 0 -7.57947025574871 2428862 C1CCC(C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.476 1 3 -10.3608238488624 2428835 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=CC=C3Cl 1 2.079 3 4 0 -19.5599725636569 2428833 COC1=CC=CC=C1CNC(=O)COC(=O)C2CC2 1 1.405 1 4 0 -16.8032789781079 2428822 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)/C(=C/C3=CC=CC=C3)/C#N 1 3.163 3 2 -7.32290309626567 2428800 CC(C)NC(=O)COC(=O)C1=CC=C(C=C1)O 1 1.229 1 4 0 -13.457468017202 2428783 CCN(CC)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 3.09 2 4 -20.1195813228584 2428771 CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)Br 1 3.563 1 3 -11.7695478256889 2428767 C1CCCC(CC1)NC(=O)COC(=O)C2=CC=C(C=C2)O 1 2.817 1 4 -9.32205779013754 2428766 CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.7 1 5 -17.4901028145391 2428761 C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=CN=C(C=C3)Cl 1 2.325 2 3 -15.6515457778184 2428760 C1CN(CCN1C(=O)COC(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3 1 1.891 2 5 0 -8.67987926017272 2428736 CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(O2)Br 1 2.778 1 4 -12.328963279883 2428735 CCCC(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2 1 1.548 1 5 0 -15.6508592295806 2428733 CC1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.716 1 4 -15.1649090829871 2428721 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=C(O3)Br 1 1.377 3 5 0 -19.6783894233001 2428713 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CC3=CC=C(C=C3)Cl 1 2.113 3 4 0 -17.8617269746729 2428712 C1CCC(CC1)NC(=O)COC(=O)C2=C(C=CC=C2Cl)F 1 3.473 1 3 -11.8242808955898 2428711 COC1=CC=CC=C1N2CCN(CC2)C(=O)CCOC3=CC=CC=C3OC 1 2.924 2 4 -9.22232656022786 2428703 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=C(N=CC=C3)Cl 1 1.812 2 5 0 -10.5627218526184 2428702 CC1=C(SC=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 3.432 1 3 -13.6343811337766 2428699 COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.726 2 7 0 -13.3294514375608 2428563 CC1=NN(C(=C1C=NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3)Cl)C4=CC=C(C=C4)Cl 1 4.59 5 3 0 -3.78920507867363 2428528 CC\1(C2=CC=CC=C2N(/C1=C/C(=S)NC(=O)C3=CC=CC=C3OC)C)C 1 4.364 2 2 1.38200109136276 2428525 CC(C)C(=O)NC(=S)/C=C/1\C(C2=CC=CC=C2N1C)(C)C 1 3.845 2 1 0.677841884956088 2428455 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4=CC=NC=C4 1 1.051 5 4 0 -23.4030209744026 2428434 C1=CC=C(C=C1)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 4.401 1 4 -9.5839289900595 2428431 C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)O 1 3.686 1 4 -2.55854172398074 2428425 CCCCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C 1 2.542 2 3 -15.8646526975988 2428404 C1COCCN1C(=O)COC(=O)C2=C(C=CC(=C2Cl)Cl)Cl 1 2.632 1 4 -11.3645636401316 2428398 CN1CCC(CC1)N(C)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 0.569 4 2 0 -7.94182569272511 2428367 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 3.56 2 4 -12.6036603233511 2428350 C1=CC=C(C=C1)C(CC(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.768 1 3 -13.467706110183 2428343 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)F 1 2.518 4 3 0 -9.92217690843408 2428332 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 1.422 5 5 0 -22.2770075463594 2428279 CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.772 3 4 0 -21.5388168369824 2428269 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F 1 4.127 1 3 -6.40719683631514 2428227 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CC2=CC=CN2C 1 1.686 3 3 0 -11.5008552639524 2428192 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2 1 0.627 2 6 0 -19.8594075780399 2428169 COC1=CC(=C(C=C1)C=NOCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)OC 1 3.918 2 4 -7.37104254511181 2428087 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=C(N=CC=C2)Cl 1 2.715 1 4 -6.69982114274469 2428040 C1COCCN1C(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)O 1 2.208 1 3 1.6142144543039 2428037 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC=C)C3=CC=CC=C3OC)N 1 1.536 4 8 0 -35.497152285233 2428020 CCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)OC)OC 1 3.189 3 4 0 -22.9631297208187 2427970 CC1=NN=C(N(C1=O)N)SC(C)C 1 0.786 4 1 0 -7.41118832094666 2427961 CCCNC(=O)COC(=O)/C=C/C1=CC2=C(C=C1)OCO2 1 1.853 1 5 0 -12.8833759662358 2427957 CSC1=C(C=CC=N1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.093 2 4 -11.0898942490883 2427941 CSC1=C(C=CC=N1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-] 1 3.093 2 4 -12.383575832348 2427932 C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=NC=CN=C3 1 2.795 3 3 -11.4720768968501 2427882 C1=CC(=CC=C1C(=O)N)NC(=O)COC(=O)C2=CN=C(C=C2)Cl 1 1.047 3 4 0 -14.4981418136263 2427877 CC1=C(SC2=NC(=NC(=C12)N3CCC4=CC(=C(C=C4C3)OC)OC)CN5CCCC5)C 1 4.493 4 2 -7.13653846927209 2427874 CCC1=CC=C(C=C1)CN(C)C(=O)C2=CC3=C(C=C2)OCCO3 1 3.555 1 3 -7.63555384497278 2427868 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC(=O)NC(C)C 1 1.363 2 6 0 -23.0957245553645 2427846 C1CN(CCN1C2=CC=CC=C2O)C(=O)CC3=CC=C(C=C3)Br 1 3.414 2 2 -2.10091223365776 2427817 C1=CC=C(C(=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl 1 3.041 3 4 0 -9.21287490273557 2427765 CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CCC2=CN=CC=C2 1 2.668 2 6 0 -19.1347175020606 2427755 CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)OC(F)(F)F 1 3.371 2 5 0 -11.6993617313459 2427752 CC(C)(C)NC(=O)COC(=O)C1=CC=C(C=C1)O 1 1.434 1 4 0 -12.0231766311058 2427732 C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 4.087 1 3 -8.87622607248653 2427703 CNC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3 1 3.21 3 3 -5.08815932826834 2427692 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C(=C3F)F)F)OC 1 3.531 2 5 0 -12.7056962812187 2427689 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC(C)C 1 0.866 1 4 0 -18.2871271431373 2427661 COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3 1 1.846 2 9 0 -18.6059068612008 2427660 CCCNC(=O)COC(=O)C1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)Br 1 2.986 2 5 0 -15.9803668894157 2427659 CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-] 1 1.461 2 5 0 -15.2243146444704 2427596 C1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=CC=C2OC(F)F 1 3.375 1 3 -8.07142822037175 2427628 CN(C)C(=O)CCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 1 1.628 3 2 0 -20.0720190137619 2427627 CCN(CC)C(=O)CCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 1 2.326 3 2 -24.6913306963837 2427626 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 3.56 2 5 0 -17.2265255241448 2427623 CN(C)CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)F 1 0.249 3 4 0 -21.8629740034894 2427540 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)N 1 2.377 5 4 0 -21.5355648998154 2427494 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)N 1 0.802 4 5 0 -16.6217594732262 2427489 C1CN(CCN1CCC(=O)N)S(=O)(=O)/C=C/C2=CC=CC=C2 1 -5.2e-002 3 3 0 -5.20268196889037 2427476 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#N 1 1.369 3 2 0 -16.3703637608816 2427433 COC1=CC=C(C=C1)N2CCN(CC2)CCC(=O)N 1 1.035 3 2 0 1.15754756151056 2427421 COC1=CC=C(C=C1)N2CCN(CC2)CCC3=CC=NC=C3 1 2.687 3 1 6.78248725351736 2427403 C1CC1C(=O)NC2=NNC(=N2)C(F)(F)F 1 1.338 4 1 0 -3.28139347092983 2427312 COCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)N 1 1.547 5 1 0 -15.6350262553279 2427302 C1=CC(=CC=C1OC2=C(C=CC(=N2)Cl)Cl)OC3=C(C=CC(=N3)Cl)Cl 1 6.803 2 2 0.840088505523545 2427298 C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)O 1 1.86 4 3 0 -21.5960020527833 2427287 CC(C)N1C(=O)C2=CC=CC=C2NC1=S 1 2.868 2 1 -6.44963955351625 2427285 COC1=CC=C(C=C1)OCC2=NNC(=S)N2CC3=CC=CO3 1 2.686 3 3 -5.86634625355651 2427281 C1CCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2Cl)Cl)Cl 1 3.405 1 3 -9.44179867618797 2427280 COC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2F 1 2.51 1 4 -8.79183096396611 2427257 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC 1 3.745 1 4 -8.03892571318617 2427246 CNS(=O)(=O)/C=C/C1=CC=CC=C1 1 0.683 1 2 0 2.14164945108993 2427239 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC(C)C 1 1.94 2 3 0 -16.566422865938 2427221 CC1=C(C(=NN1CC(=O)C2=CC=C(S2)Cl)C)[N+](=O)[O-] 1 2.47 3 3 -1.55818179746272 2427216 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2O 1 1.957 2 7 0 -10.4821881131605 2427212 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC=CC=C2 1 1.651 2 5 0 -16.5158066666185 2427190 CCC1=NN=C(S1)NC(=O)CCN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.446 4 3 0 -17.7793994584638 2427183 C1=CC(=CC=C1NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])Br 1 1.075 2 4 0 -12.2128685800346 2427170 CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC(=O)NC2=CC=CC=C21 1 0.839 3 5 0 -19.7811225687483 2427154 CC1=C(N2C=CC=CC2=C1C=NNC(=O)N)C(=O)C3=CC=C(C=C3)F 1 3.029 4 2 -6.29560508488111 2427152 CCC(CC)NC(=O)CON=C1C2=CC=CC=C2C3=CC=CC=C31 1 3.862 2 2 -6.50342642379633 2427105 C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)F)Cl 1 3.682 1 3 -9.02232488021026 2427072 CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 3.925 2 4 -9.4013375713376 2427018 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)C3=C(N(C(=C3)C)C4=CC=CC(=C4)C(F)(F)F)C 1 4.767 3 4 0 -8.22128437471966 2427005 CC1=CC(=C(C=C1)C)SCC(=O)C2=CC=CN2 1 3.985 1 1 -1.48129969017916 2426990 C1=CC=NC(=C1)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F 1 2.995 2 2 -4.6361003341178 2426982 C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)C#N)N3CCCCC3 1 3.687 3 1 -11.1586274936062 2426967 CC1=CC=CC=C1NC(=O)COC(=O)CC2=CC(=CC=C2)C(F)(F)F 1 3.785 1 3 -7.50029959086641 2426934 CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.439 4 3 0 0.509010077350081 2426931 CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.144 2 4 -9.77410056959168 2426894 COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 3.712 2 2 -4.51304478595625 2426891 C=CCNC(=S)NCC1=CC=C(C=C1)CNC(=S)NCC=C 1 3.886 4 0 -11.1191300200631 2426890 CNC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2 1 1.187 3 3 0 -11.0874981370574 2426889 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.775 4 5 0 -22.696818515148 2426866 CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NN(C(=S)S2)C3=CC(=C(C=C3)C)Cl)OCC 1 7.715 3 3 -19.9763892399961 2426857 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.204 4 4 0 -11.1037240672201 2426852 CC(=O)N1CCCSC1=NC2=CC=CC=C2 1 2.283 2 1 -8.0733093115415 2426831 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCC5=CC=CC=C5C4)C 1 5.285 3 3 -11.5760301459055 2426815 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC=C2N3CCCCC3 1 2.811 3 3 -13.5667816768957 2426774 C1CCC(CC1)(CNC(=O)COC2=CC=C(C=C2)C#N)N3CCCCC3 1 3.522 3 2 -12.6832161150525 2426812 CC(C)[C@@H](C(=O)NC1=CC(=C(C=C1)F)Cl)NC(=O)N 1 1.997 3 2 0 -12.6855489881461 2426783 COC1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CO5)N 1 3.339 5 3 0 -16.8735163901566 2426761 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4OC 1 3.636 3 4 0 -13.6145684401168 2426753 C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)OC(F)F)N3CCCCC3 1 4.614 2 2 -6.54194451953042 2426745 CCC1=NN=C(S1)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4 1 4.481 5 1 -7.13108025281766 2426734 C1CCCCCC2(CCCCC1)C(=O)NC(=O)N2 1 3.504 2 2 -5.42098260453061 2426719 CC1=NC(=CS1)CC(=O)NNS(=O)(=O)C2=CC(=C(C=C2)F)Cl 1 1.624 3 3 0 -9.17117772892561 2426716 C1CCCC(CC1)NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.592 1 3 -9.475403343038 2426714 C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=C(C=C2)F 1 3.133 2 1 -10.9371285153449 2426711 CN(CC1=CC=CC=C1)C(=O)COC2=CC=C(C=C2)C3=NN=CO3 1 1.961 3 3 0 -6.90567929961823 2426673 COC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F)OC 1 4.354 1 4 -7.97128380354222 2426655 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32 1 0.677 3 7 0 -22.8824138460268 2426629 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NN=C(C#N)C(=S)N 1 1.83 5 2 0 -13.6588360049512 2426621 CC1=C(SC(=N1)N(CC=C)C(=O)CN2CCOCC2)C3=CC=CC=C3 1 2.556 3 2 -6.44238962661808 2426608 COC1=CC2=C(C=C1)C(=CN2)CCNC(=S)N 1 2.407 3 1 -6.45542673965645 2426596 C=CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)CN3CCCCC3 1 3.64 3 1 -4.15730987095814 2426584 C1CCC2=NC(=O)C3=C(N2CC1)N=CC=C3 1 1.591 3 1 0 -5.28963491104649 2426577 CCOC1=CC=C(C2=CC=CC=C21)C3=CSC(=N3)NC(=O)CSC4=NC(=O)CN4C(=O)C 1 3.117 4 4 0 -11.5812309664166 2426566 CCOC1=CC=C(C2=CC=CC=C21)C3=CSC(=N3)NC(=O)CSCC(=O)O 1 3.097 2 4 -6.35137051318073 2426562 CC1=C(SC(=N1)N(CC=C)C(=O)CSC2=NC(=O)CN2C(=O)C)C3=CC=CC=C3 1 2.844 4 3 0 -16.8577683313397 2426551 CC1=C(SC(=N1)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3 1 2.537 3 2 -1.21399826848284 2426546 CC1=CC(=O)N2C=CC=CC2=C1C#N 1 0.554 2 1 0 -7.73663029836753 2426524 C1CCC(C1)NC(=O)NC(=O)CN2CCC(CC2)C(=O)N 1 3.6e-002 4 3 0 -7.90753533645603 2426514 CC1=CC(=O)N2C(=C1C#N)SC(=N2)C3=CC=CC=C3 1 2.895 3 1 -0.902286856542001 2426511 CC1=CC(=O)N2C3=CC=CC=C3SC2=C1C#N 1 2.714 2 1 -1.77257865148347 2426510 CC1=CC(=O)N2C(=C1C#N)C=CC3=CC=CC=C32 1 2.13 2 1 -2.19060937487907 2426503 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NNC(=N2)N)OC 1 1.379 5 3 0 -15.3797082845417 2426475 COC1=CC=CC=C1C(=O)CSC2=CC=CC=N2 1 2.999 1 2 -7.75978377899479 2426452 CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CNC(=O)C3=CC(=CC(=C3)OC)OC)C 1 1.157 3 7 0 -22.701052410685 2426418 C1CCC(CC1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.785 2 3 -6.40929949764777 2426411 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NC2=C(N=CC=C2)Cl 1 0.133 4 6 0 -16.5970721398336 2426399 CC(=O)C1=CC=CC=C1NC(=O)CC2(CCCCC2)CC(=O)O 1 2.446 1 4 -10.7084113106918 2426372 COC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3)O 1 3.177 1 7 0 -10.7703147075438 2426361 C1=CC=C(C(=C1)NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl)F 1 5.24 4 0 2.83940208248322 2426360 C1=CC(=C(C=C1F)F)NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 5.445 4 0 4.26448296343303 2426343 CC1=C(C(=CC=C1)C)NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 6.007 4 0 2.71318255573867 2426323 CC1=CC=CC=C1NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 5.521 4 0 1.80833411956744 2426307 COC(=O)C1=CC=C(C=C1)OCC(=O)N2CCCC3=CC=CC=C32 1 3.042 1 4 -10.8507881696195 2426291 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC4=CC=CC=C4O3 1 4.766 2 2 3.30771634962989 2426240 CC1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 5.521 4 0 3.36858705609062 2426234 C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl 1 5.699 4 0 4.37445674515896 2426231 CC1=C(C=CC=C1Cl)NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 6.185 4 0 4.66590891148975 2426217 CP(=O)(OCCOC1=CC=CC=C1)OCCOC2=CC=CC=C2 1 2.759 0 5 -1.30925057201134 2426208 CC1=CC(=C(C=C1)C(C)C)OCCCCCN2CCOCC2 1 4.419 1 2 1.65397201527652 2426187 CC1CCN(CC1)CCCCOC2=C(C=C(C=C2Br)C)C 1 5.484 1 1 3.10114784487156 2426182 CC1=CC=CC=C1NC2=NC3=CC=CC=C3CS2 1 4.228 2 0 -4.02606360164875 2426147 C1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C#N 1 2.597 4 3 0 -10.2360637086976 2426137 C1=CC(=CC(=C1)Cl)CNC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 3.43 2 4 -9.43903490065095 2426136 CC(C)(C)C1CCC(CC1)OC(=O)C2=CC=NC=C2 1 3.559 1 2 -9.90730080338723 2426119 CC(=O)C1=CC(=C(C=C1)COC2=C(C=C(C=C2)C(=O)OCC(=O)N)OC)OC 1 1.813 1 7 0 -15.2501524481327 2426064 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)Cl 1 4.261 5 2 0 -8.88400503947355 2426060 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)COC(=O)C3=CC=CC=C3 1 4.39 1 4 -10.1048039156202 2426055 C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)CNS(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 4.531 2 5 0 -12.0340027348534 2426029 CC1=CC(=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C 1 4.569 5 2 0 -13.9244449363735 2426012 C1=CC=C(C(=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CO2)Cl 1 2.642 1 4 -9.92581806510264 2426005 CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Cl 1 4.747 5 2 0 -10.382351940709 2425999 C1=CC=C(C(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Cl 1 4.261 5 2 0 -11.258833794493 2425992 C1=CC(=CC(=C1)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 4.261 5 2 0 -8.32511286444866 2425988 CC1=CC(=C(C=C1)C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 4.569 5 2 0 -12.9407455230895 2425984 CCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 4.539 5 2 0 -10.9454418658395 2425972 CNC(=O)C1=CC=CC=C1F 1 1.243 1 1 0 -8.01502679483144 2425964 CC1=CC(=C(C=C1)C)OCCSC2=NC(=O)C(=NN2)C 1 3.156 3 2 -9.41006961104927 2425938 C1CC(=NC1)NNC(=O)C2CC2 1 -0.184 3 1 0 -9.38057661897079 2425915 C1=C(C=NC(=C1Cl)NC(=O)CSC2=NC(=O)C=C(N2)N)C(F)(F)F 1 1.866 5 2 0 -8.8241130283086 2425878 CCN1C(=NN=C1SCC(=O)NCC(=O)OC)CSC2=NC3=CC=CC=C3S2 1 2.543 5 3 0 -24.5194604941354 2425814 CC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=O)C=C(N=C2C(C)C)C 1 2.889 3 2 -8.5655296491789 2425859 CC1=CC(=NC2=NC(=NN12)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C 1 1.63 6 3 0 -8.02433189150442 2425838 CN1CCC(CC1)N(C)C(=O)C2=CC(=O)C3=CC=CC=C3O2 1 1.142 2 3 0 -3.16213799316562 2425788 COCCNC(=S)NN=CC1=CC=CC=C1C(=O)O 1 1.73 3 3 0 -12.5918511696668 2425775 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)N 1 1.646 3 6 0 -19.4501289046813 2425711 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)NCC3=CC=CO3 1 2.677 2 4 -16.7348290311641 2425704 CCCCNC(=S)N(C)N=CC1=C(C=CC=C1F)F 1 4.177 3 0 -8.42854930588734 2425692 CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)OC(F)F)NC(=O)C2=CC=CO2 1 3.202 2 4 -14.1982550366432 2425648 CN(CCC#N)C(=O)CSC1=NN=C(N1N)C2=CC=CO2 1 0.35 6 2 0 -17.1519024056248 2425634 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3O 1 1.929 2 5 0 -7.11557341525645 2425593 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NNC(=N2)N 1 0.836 6 2 0 -13.5103564167659 2425592 CC1=CC(=NO1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 0.34 3 5 0 -13.1867833221202 2425576 COC1=CC=CC=C1CNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.317 3 4 0 -23.8296208032781 2425419 CC1=NN(C(=C1)NC2=NC3=CC=CC=C3NC2=O)C4=CC=CC=C4 1 2.521 5 1 -9.05310307726177 2425411 C1=CC=C(C=C1)CCNC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 2.117 2 2 -10.2810383327303 2425307 CC1=CC=CC(=C1O)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.351 1 6 0 -9.80132256568074 2425294 CC(C)NC(=O)COC(=O)/C=C/C1=CC=C(C=C1)F 1 2.144 1 3 -11.9123767860085 2425291 CC(C)CNC(=O)COC(=O)C1=CC(=CC(=C1N)Cl)Cl 1 2.519 2 3 -10.8779701464857 2425272 CC(C)(C)NC(=O)COC(=O)/C=C/C1=CC=CC=C1[N+](=O)[O-] 1 2.038 2 5 0 -12.0528951999405 2425269 CC(C)NC(=O)COC(=O)/C=C/C1=CC=CO1 1 1.334 1 4 0 -13.2888485269359 2425266 CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3 1 3.471 2 8 0 -19.7062097934145 2425237 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32)O 1 1.543 2 6 0 -10.7350134561676 2425220 CNC(=O)COC(=O)/C=C/C1=CC=C(C=C1)F 1 1.418 1 3 0 -6.78697194112453 2425211 COC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=CC=CC=C2)OC 1 2.78 1 5 -14.3897765987679 2425202 CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)OC(F)F 1 2.261 2 5 0 -14.3828341024132 2425196 C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)Br 1 2.375 2 2 -10.9863039437258 2425159 CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.7 4 3 0 -12.2306094664139 2425149 CN(C1=CC=CC=C1)C(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.405 2 4 -8.58021261190516 2425146 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.028 3 5 0 -20.5271352912369 2425124 C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C4N3C=CC=C4 1 2.203 5 1 -13.9446263944041 2425120 C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC(=O)NC3=C(C=C(C=C3Cl)Cl)Cl)Cl 1 5.192 2 4 -6.48110945667794 2425096 CCOC1=CC=C(C=C1)C=NN2C=C(NC2=S)C3=CC=CC=C3 1 3.739 3 1 -1.9153049551591 2425078 C1=CC(=CC(=C1)N)C(=O)NN=CC2=CSC=C2 1 1.598 3 1 0 -6.55691321832917 2425044 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3 1 2.314 4 3 0 1.51698611498462 2425039 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3F 1 1.359 3 3 0 -8.19919392137533 2425033 C1=CC=C(C(=C1)CC(=O)OCC(=O)NC2=CC(=CC=C2)F)F 1 2.767 1 3 -8.78531735896913 2424980 COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl)OC 1 3.56 2 5 0 -12.7908265146665 2424966 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-])C)C 1 3.34 2 6 0 4.1157221115521 2424950 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC(=O)NC4=CC=CC=C4Cl 1 4.662 2 3 -4.54974949347416 2424915 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=NCCS2)OC 1 2.537 2 3 -14.8230393146153 2424901 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C=C2)OC 1 2.022 2 4 -6.15940573301708 2424887 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)O 1 1.621 2 7 0 -24.376383727884 2424857 C1CC1NC(=O)/C(=C/C2=CC=CC=C2)/C#N 1 1.834 2 1 0 -12.394213418363 2424851 CC1=CC=CN2C1=NC(=C(C2=O)C=O)NC3=CC=CC=C3 1 1.886 3 2 0 -7.86122930810462 2424844 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=C(N=CC=C3)Cl 1 1.454 2 5 0 -10.3542202862519 2424823 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C(O3)C4=CC=NC=C4 1 0.791 6 3 0 -22.2505085185794 2424822 C1=CSC(=C1)CNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC(F)F 1 3.341 1 4 -10.2080635234438 2424821 CC1=C(C(=NO1)C)CSC2=NN=C3N2C=CC=C3 1 2.154 4 1 -16.7296513307172 2424815 C1CCC(CC1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.548 2 1 -3.94127174977915 2424786 COC1=CC=CC=C1C(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.847 2 4 -9.64721556546591 2424768 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)O 1 2.82 4 3 0 -18.7584871681098 2424746 CN1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)N(CCC#N)C4=CC=CC=C4 1 2.983 4 3 0 -10.892779180928 2424716 C1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-] 1 1.494 4 4 0 -16.0966816861139 2424660 COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CCC(=O)C3=CC=C(C=C3)Br 1 3.782 2 4 -14.4387217755874 2424629 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC=C(O2)Br 1 2.364 1 5 -16.3747928625729 2424622 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(NC4=CC=CC=C43)C 1 4.61 3 1 1.12237115530799 2424615 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC 1 0.585 6 3 0 -24.7081929401021 2424610 C1=CC(=CC=C1NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])S(=O)(=O)N 1 0.999 3 7 0 -11.5118254288445 2424558 CN(C)CCNC(=S)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 1 4.091 5 0 -1.19068276540643 2424508 CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)OC 1 3.6 1 4 -10.9203346888953 2424504 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NN=C(S3)N 1 2.252 4 2 -12.6191543469184 2424503 CN(C)N=CC1=CC(=C(C=C1)OC(=O)C2=CC=CS2)OC 1 2.932 2 3 -9.1469818505868 2424500 CC1=C(SC=C1)C=NNC(=S)NCC2=CC=CC=C2 1 4.254 3 0 -6.79149692641566 2424494 C1COCCN1C(=O)CSC2=NN=C3N2C=C(C=C3Cl)Cl 1 1.97 4 2 0 -15.0913806268899 2424465 CC1=CC=CC(=C1)C=NNC(=S)NC2=CC=CC=C2OC 1 4.555 3 1 -6.20174403831791 2424448 COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2)OCC3=CC=CC=C3 1 4.8 2 3 -17.6757696803523 2424442 CC1=CC=CC=C1NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)NC3=CC=CC=C3C 1 4.429 2 4 -5.78144998057617 2424417 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O)C)C 1 3.196 1 6 0 -5.6405177557328 2424415 C1=CC=C(C=C1)CC(=O)NC(=O)CSC2=NN=NN2C3=CC=CC=C3 1 2.343 5 2 0 -20.8627554725891 2424408 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F)C)C 1 3.94 1 5 -2.35368615207631 2424366 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53 1 4.905 3 3 -6.75829828717548 2424353 COC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 2.941 3 4 0 -8.28866979646024 2424312 C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)C2=C(N=CC=C2)Cl 1 2.886 2 4 -5.51617283636221 2424311 C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CC=CC=C3O 1 4.425 1 4 -6.24123261453998 2424273 COC1=C(C2=CC=CC=C2C=C1)C=NNC(=S)NCCN3CCOCC3 1 2.949 4 2 -6.21282527004386 2424258 CCOCCCNC(=O)/C(=C/C1=CC=CC=C1F)/C#N 1 1.83 2 2 0 -18.2721534878576 2424243 CCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)OCC3=C(ON=C3C)C)OC 1 2.449 4 4 0 -25.2914795653782 2424240 C1CCC(CC1)NC(=S)NNC(=O)C2=CC=CC=C2O 1 3.036 3 2 -6.45220610682888 2424233 CNC(=S)NC1=CC=C(C=C1)C2(CCCCC2)C3=CC=C(C=C3)NC(=S)NC 1 6.624 4 0 -5.85805764543155 2424222 CC(C)[C@@H](C(=O)OCC(=O)NC1=C(C(=C(C=C1)F)F)F)NC(=O)C2=CC(=CC(=C2)OC)OC 1 3.292 2 6 0 -23.0531097836336 2424192 C1CCC2=NN3C(=C(C4=C(C3=O)C(=O)OC5=CC=CC=C54)C#N)N2CC1 1 1.993 4 3 0 -8.4689944493727 2424168 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)/C=C/C2=CC=CS2 1 3.66 2 2 -14.2068352739018 2424155 COCCNC(=O)/C(=C/C1=CC=C(C=C1)C(=O)O)/C#N 1 0.843 2 4 0 -17.6479482888136 2424138 CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(F)(F)F)CCC(=O)N 1 2.955 4 1 -5.85402878239605 2424135 CCOC(=O)C1=C(ON=C1C)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 4.003 1 4 -10.3680393364133 2424129 C/C(=C(\C#N)/P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)/N3CCCC3 1 4.025 2 1 -7.98704047791202 2424055 CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCC(=O)O 1 0.21 1 5 0 -13.8504014948946 2424049 CC1=CC(=CC(=C1OCC(=O)O)C)Cl 1 2.931 0 3 -3.73352803970058 2424037 CC1=CC(=C(N1CC(C)C)C)C=NNC(=O)C2=CC=C(C=C2)O 1 3.223 3 2 -7.74830233962421 2423991 CC1=CC=C(C=C1)CONC(=O)C2=CC=C(C=C2)OC(F)F 1 3.759 1 3 2.40060188182946 2423962 C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC=CC=C4 1 3.446 3 2 -3.90796434269474 2423958 CC1(CSC(=N1)NC2=CC(=C(C=C2)F)Cl)C 1 3.683 2 0 1.89518017666816 2423957 C1=CC=C(C=C1)C2=CC(=NN2)NC3=CC=CC=C3N 1 2.789 4 0 3.99062064691039 2423956 COC1=CC=C(C=C1)CCNC2=NCCS2 1 2.542 2 1 -6.6788505415789 2423952 CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)NC4=CC=CC=C4N 1 5.417 4 0 2.84278322053152 2423951 C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)NC4=CC=CC=C4N 1 5.595 4 0 4.47280581684591 2423937 CC1=CC(=NC2=NC(=NN12)C(F)(F)F)N 1 1.359 5 0 0 -5.42767933084118 2423905 CCCN1C(=O)C2=CC=CC=C2N3C1=NNC3=S 1 2.707 4 1 -9.15182640147814 2423896 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O 1 3.267 4 3 0 3.14681576576413 2423886 COC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=S)N)CCC(=O)O 1 2.109 5 3 0 -7.70087486381651 2423878 CC1=CC=CC=C1N2C(=CC(=N2)C3=CN=CC=C3)C(=O)NN 1 2.14 5 1 -3.31285405733827 2423861 C1=CC(=CC(=C1)Br)C2=NN(C=C2C=NNC(=S)N)CCC(=O)O 1 2.874 5 2 0 -5.75047034030424 2423822 C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=NO)C4=CC=CC=C4 1 3.615 3 3 12.9286443535929 2423787 C1=CC2=C(C=C1C(=O)O)N(N=N2)O 1 -1.153 3 3 0 -3.27259224866426 2423776 COC(=O)CNC(=O)COC(=O)C1=CN=C(C=C1)Cl 1 0.175 2 5 0 -19.1619476023274 2423771 C1C(=O)C(=C(N1C2=CC=C(C=C2)CC(=O)O)N)C3=NC4=CC=CC=C4N3 1 2.254 4 3 0 -7.4951552005664 2423760 CCC1=CC2=C(S1)N=C(NC2=O)CC3=CC=C(C=C3)OC 1 3.11 2 2 -7.54273574708568 2423739 CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)C)C 1 5.322 3 4 0 -17.2380920838418 2423692 CC1=C(C(=NO1)C)COC(=O)C2(CCCC2)C3=CC(=CC=C3)F 1 3.811 1 3 -8.09685716414059 2423682 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2C)C3=CC=NC=C3 1 2.564 4 2 -11.793661256881 2423645 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2OC 1 3.273 1 3 -5.3142664691548 2423633 CC1=C(SC=C1)C=NNC(=S)NCCC2=CC=CC=C2 1 4.575 3 0 -7.32763649409705 2423620 COC1=CC=C(C=C1)NC(=S)NNC2=CC=C(C=C2)C(=O)O 1 3.653 3 3 -4.55829746229491 2423615 CNC(=S)NC1=C(C=CC(=C1)C(F)(F)F)Cl 1 4.119 2 0 -2.35173269610407 2423595 COCCNC(=O)/C(=C/C1=CC(=CC=C1)/C=C(\C#N)/C(=O)NCCOC)/C#N 1 0.598 4 4 0 -15.8547827305953 2423580 CCC1=NNC(=S)N1N=CC2=CC=C(C=C2)N(CC)CC 1 3.609 5 0 -9.75152922763286 2423474 CC1=C(SC2=NC(=NC(=C12)NCCC3=CC=C(C=C3)S(=O)(=O)N)C)C 1 2.657 4 2 -7.2700172680904 2423469 CNC(=S)NN(C1=CC=CC=C1)C2=CC=CC=C2 1 3.967 3 0 -8.1245889924048 2423459 CNC(=O)COC(=O)/C=C/C1=CC=CS1 1 1.166 1 3 0 -9.80153082918589 2423449 CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=C[N+](=CC=C2)[O-] 1 2.003 2 3 -6.06469942749171 2423391 C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCCOC4=CC=C(C=C4)Br 1 5.034 4 1 -5.34991989174502 2423371 CCC1=NNC(=S)N1N=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl 1 3.718 6 0 -3.25085479543562 2423365 CC(C)(CO)N(CC(=O)NC1=CC=C(C=C1)OC)CC(=O)NC2=CC=C(C=C2)OC 1 1.603 3 5 0 -5.51498774048573 2423353 CC1=CC(=C(N1CC=C)C)C(=O)CSC2=CC=C(C=C2)NC(=O)C 1 2.955 2 2 -10.7979821479741 2423351 CN(CC1=C(C=CC2=CC=CC=C21)O)CC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.056 3 3 0.398288560402158 2423323 CC1=C(SC=C1)C=NNC(=S)NC2CCCCC2 1 4.529 3 0 -6.44439909344735 2423320 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)/C=C/C2=CC=CS2 1 2.787 2 2 -8.19171200907312 2423307 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C 1 3.119 4 3 0 -13.9224640124897 2423305 C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 3.452 2 4 -10.0151575571144 2423303 C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 3.399 3 3 -6.57638082373705 2423269 COC(=O)CNC(=O)COC(=O)C1=CC(=C(C=C1Cl)F)F 1 1.527 1 5 0 -14.9160494360685 2423249 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NCC3=CC=CO3 1 2.868 2 6 0 -23.0293709142856 2423245 CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=C(C=C3)Cl)N)C 1 2.536 3 3 -9.62097257778252 2423238 CC(C)(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC 1 2.646 2 4 -19.5766948567585 2423237 C1CSC(=N1)NC(=O)C2=CC=C(C=C2)C#N 1 1.981 3 1 0 -13.9782777147766 2423206 COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(O2)Br 1 2.596 1 5 -12.0793330285264 2423190 CCC1=NNC(=S)N1N=CC2=CC3=C(C=C2)OCO3 1 2.518 4 2 -6.69342166807369 2423189 CC1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)O 1 3.201 2 3 -2.05922712341848 2423177 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)OC)C 1 3.19 2 6 0 -13.5620491278147 2423156 CCOC1=CC=C(C=C1)NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32 1 3.894 2 4 -14.6670875894464 2423150 CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4CC4)C 1 3.005 6 3 0 -20.0278573782623 2423141 C1CSC(=N1)NC(=O)COC2=CC3=CC=CC=C3C=C2 1 2.846 2 2 -8.7689659158946 2423140 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NCCS3 1 2.779 3 4 0 -20.823134939414 2423136 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC 1 3.031 2 5 0 -15.9167727356224 2423096 C1CC(C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F 1 2.677 1 4 -4.65709013757235 2423078 C1CN(CCN1C2=CC=C(C=C2)O)C(=O)CCSC3=CC=C(C=C3)Cl 1 3.937 2 2 1.28911055787469 2423076 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)C#N 1 0.874 5 1 0 -3.71576612560723 2423054 CC1=CC=C(C=C1)NC(=O)C2=C(N(C(=C2)C)C3=CC=CC(=C3)C)C 1 4.754 2 1 -3.11369424358696 2423024 COC1=CC(=C(C=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)OC 1 3.633 4 3 0 -7.01390310488269 2422930 COC1=CC=C(C=C1)OCC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4Cl 1 4.241 3 4 0 -1.34165587916381 2422943 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N(CCC#N)C3=CC=CC=C3F 1 3.709 4 3 0 -28.4585719631573 2422970 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 2.16 1 4 -9.43760565339925 2422919 CC1=CC(=C(C=C1)C)OCC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 3.658 5 4 0 -12.2735348877472 2422916 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)N=C(N4)COC5=CC=CC=C5Cl 1 3.35 5 4 0 -13.356670700839 2422873 CN1C2=C(C(=CC(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)OC)OC)C(=O)N(C1=O)C 1 3.797 3 4 0 -6.45951431639926 2422863 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)N3CCN(CC3)C(=O)C 1 2.875 4 3 0 -15.7883754209181 2422766 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3Cl)Cl)S(=O)(=O)NC4=CC=C(C=C4)F 1 5.693 2 3 -4.4433068437927 2422741 C1CCC(CC1)NC(=S)NN(C2=CC=CC=C2)C3=CC=CC=C3 1 5.826 3 0 -8.54135131274701 2422739 CC1=CC=CC=C1NC(=S)NNC(=O)C2=CN=CC=C2 1 2.609 4 1 -9.87527104347812 2422733 CC1=CC=CC=C1NC(=S)N(C)CCC2=CC=CC=N2 1 4.43 3 0 -8.88101909890098 2422717 CC(C)NC(=S)NNC1=NC2=CC=CC=C2S1 1 2.899 4 0 -4.83073123767659 2422711 CC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)NC2CCCCC2 1 3.204 4 2 -12.893556708599 2422683 CCN(C1=CC=CC=C1)C(=S)NC2=CC=CC(=C2)C 1 5.555 2 0 -5.59342245235479 2422676 C1CCC(CC1)NC(=S)NNC2=CC(=CC=C2)Cl 1 4.707 3 0 -1.68734186890711 2422660 C1CCC(CC1)NC(=S)N(CCC2=CC=CC=C2)CCC3=CC=CC=C3 1 6.861 2 0 -7.79618465877315 2422652 C1CCN(C1)C(=S)NC(=O)C2=CC=CC=C2F 1 3.114 2 1 -12.749359665852 2422631 CN1C2=C(C(=CC(=N2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)C#N)C(=O)N(C1=O)C 1 3.676 4 4 0 -10.6053777600865 2422615 C1=CC=C(C=C1)COC(=O)CN2N=C(N=N2)C3=CC=CC=C3 1 2.795 4 2 -3.0282607934586 2422607 C1CN(CCC1NC(=O)/C=C/C2=CC(=CC=C2)F)CC3=CC=CC=C3 1 3.405 2 1 -0.865211822599882 2422597 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)OCC3=CSC(=N3)C4=CC=CC=C4 1 3.391 5 2 0 -1.75768606480157 2422583 CC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2CCCCCC2 1 2.795 1 3 -12.0017956198768 2422553 C1=CC2=C3C(=C1)C(=NC3=CC=C2)NNC(=O)N 1 0.912 4 1 0 0.274024103660593 2422550 CC1=CC(=NN1CCC2=NC(=CS2)C3=CC(=C(C(=C3)OC)OC)OC)C 1 3.286 3 3 -7.30346250088789 2422542 CC(C)(C)C(=O)NC(=S)N(CCCOC)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N 1 2.27 5 4 0 -17.6699728951168 2422513 COCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NC(=O)C3=CC=C(C=C3)Br 1 3.136 5 4 0 -13.2075354562845 2422511 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N(CCCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N 1 3.788 5 4 0 -10.9947402526586 2422483 CC\1(C2=CC=CC=C2N(/C1=C\C(=S)NC(=O)C3=CC=CC=C3Cl)C)C 1 5.045 2 1 2.90323335823566 2422420 CCOC(=O)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=C(S2)C=CC(=C3)F 1 3.719 2 4 -6.38086996148644 2422444 C1=CC=C(C=C1)CCCNS(=O)(=O)C2=CC(=C(C=C2)F)F 1 3.513 1 2 -6.2452238149968 2422401 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)C3=NN=C4N3CCC4 1 3.027 4 2 -6.2300106030069 2422389 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC(CC2)C(=O)O 1 2.129 1 5 -14.9388947653255 2422383 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CN=CC=C2 1 2.247 2 3 -4.66439411681411 2422382 C1CC(=O)N(C1)CCCNS(=O)(=O)C2=CC=C(C=C2)Br 1 1.205 2 3 0 -18.2799348720974 2422366 CC1=C(C(=NO1)C)COC(=O)CN2C(=NC3=CC=CC=C32)C 1 1.984 3 3 0 -11.4880822256029 2422359 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NCC2=CC=NC=C2 1 2.254 2 3 -4.55547993327569 2422341 C1CN(CCN1C2=CC=CC=C2F)C3=NC=NC4=C3C=NN4 1 1.81 6 0 0 6.48860303085815 2422335 C1=CC=C(C=C1)OC2=CC=CC(=C2)NC(=O)CSC3=NC=NC4=C3C=NN4 1 3.171 5 2 0 -7.32008392183349 2422328 CCN1C2=C3C(=C(C=C2)NC(=O)C4=CC(=C(C(=C4)OCC)OCC)OCC)C=CC=C3C1=O 1 4.029 2 5 0 -15.0922744701616 2422325 CCOC(=O)C1=CC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=C(C=C3)C)[N+](=O)[O-] 1 2.896 4 6 0 -14.2869249195799 2422324 COCCN1C(=C(C(=O)NC1=O)C(=S)NC(=O)C2=CC=CS2)N 1 0.312 4 4 0 -12.3162060685394 2422317 CC1=CC(=C(O1)C)C2=NC3=C4C5=C(CCC5)SC4=NC(=O)N3N2 1 2.338 4 2 -7.56942778771854 2422308 CN1CCC(CC1)N(C)C(=O)COC2=CC=CC=C2Cl 1 1.854 2 2 0 -3.49323553768809 2422303 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)OCC3=CC=C(C=C3)C#N 1 2.674 5 2 0 -4.54615357630144 2422294 CCN(CC1=CC=CC=C1)C(=O)COC(=O)CN2C=NC3=CC=CC=C32 1 2.456 3 3 -15.0569237001648 2422207 C1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.433 2 4 0 -21.1760413097465 2422199 CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)C(F)(F)F 1 2.492 2 1 -9.08486580410887e-002 2422193 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NC(=O)C3=CC=CC=C3 1 3.785 5 3 0 -14.0883882793477 2422184 C1=CC=C(C=C1)CCNC(=O)COC(=O)CN2C=NC3=CC=CC=C32 1 2.223 3 3 -14.674498268056 2422129 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CC3 1 1.755 3 2 0 -11.0686597771488 2422081 CC(C)(C)NC(=O)NC(=O)COC(=O)CC1=COC2=C1C3=CC=CC=C3C=C2 1 2.703 2 5 0 -11.7372995195888 2422012 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CC2=CC=CC=C2 1 3.206 2 2 -14.0180524205291 2421979 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=[N+](C=C3)[O-] 1 1.211 3 3 0 -8.28738353464893 2421923 CC1=CC=C(S1)C(=O)NCC(=O)OC 1 0.844 1 3 0 -11.6404789354686 2421914 CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCN(CC3)C 1 3.606 3 3 -6.96381755270772 2421904 C1CCC(CC1)(CC(=O)N2CCC(CC2)C(=O)N)CC(=O)O 1 0.81 2 4 0 -6.37921265382016 2421901 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CN3C=NC4=CC=CC=C43 1 2.953 3 3 -7.30544637594935 2421864 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CN3C(=NC4=CC=CC=C43)C 1 3.214 3 3 -4.82975794014009 2421847 C1CN(CCC1C(=O)N)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 1.493 3 4 0 -20.4979759215786 2421843 CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)C(=O)C 1 0.929 3 2 0 -6.55131986325872 2421840 CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.838 1 5 -11.2991227527818 2421835 COC1=C(C=C(C=C1)CCNC(=O)COC(=O)CN2C=NC3=CC=CC=C32)OC 1 2.19 3 5 0 -18.0313083551421 2421832 CN(CC1=CC=CC=C1)C(=O)COC(=O)CN2C=NC3=CC=CC=C32 1 2.107 3 3 -13.1601038069201 2421810 CCCN(CC1CC1)C(=S)NC(=O)C2CC2 1 3.233 2 1 -12.2121684050395 2421792 CC1=CC(=C(C(=C1)C)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)C 1 5.763 1 1 -4.80616985573881 2421787 CC(C)CCOC1=CC=CC(=C1)OCC(=O)O 1 2.859 0 4 -8.26435573921389 2421766 CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC#N)C)C3=CC4=C(C=C3)OCCO4 1 2.926 4 4 0 -10.6814852088201 2421759 CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NC(=O)C3=CC=C(C=C3)OC 1 4.02 5 4 0 -13.9011276151556 2421730 C1=CC(=CC=C1NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)F 1 3.435 4 1 -12.1799054258737 2421723 C1=CC=C(C(=C1)NC(=O)C2=CNC(=O)NC2=O)F 1 -6.2e-002 3 3 0 -13.6131711068389 2421720 CC(C)(C)NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 1.684 4 3 0 -22.0253696910096 2421716 C1=CC(=CN=C1)CN(CCC#N)C(=S)NC2=CC=C(C=C2)OC(F)F 1 4.265 4 1 -10.6009046775215 2421711 CC1=NN(C(=C1C=NNC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCCC3)C4=CC=CC=C4 1 6.949 6 0 0.269877681983265 2421702 CCOC(=O)C1CCN(CC1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C 1 1.889 2 5 0 -10.7160824287465 2421690 C1=CC=C(C(=C1)NC(=S)NC2=CN=CC=C2)OC(F)F 1 4.021 3 1 -6.11435970815993 2421686 COC(=O)CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 4.46 1 5 -7.38811816808447 2421652 COC1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CSC3=NC=NN3)C4=CC=C(C=C4)OC 1 3.712 5 4 0 -10.9238163013327 2421642 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.057 2 7 0 -18.7597701134261 2421608 CC1=C(N2C=CC=CC2=C1C(=O)C3=CC(=C(C(=C3F)F)F)F)CCC(=O)OC 1 4.591 1 3 -8.67350883177463 2421595 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)COC(=O)CN3C=NC4=CC=CC=C43 1 3.665 3 4 0 -11.1534740200644 2421577 CC1=C(N2C=CC=CC2=C1C(=O)C3=CC=CO3)CCC(=O)OC 1 3.164 1 4 -9.67470664395788 2421569 CC1=C(N2C=CC=CC2=C1C(=O)C3=C(C(=CC=C3)OC)OC)CCC(=O)OC 1 3.736 1 5 -11.7417615142 2421557 CC1=C(N2C=CC=CC2=C1C(=O)C3=CC(=C(C(=C3)OC)OC)OC)CCC(=O)OC 1 3.72 1 6 0 -12.492054505742 2421552 CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NC(=O)C3CCCCC3 1 4.499 5 3 0 -10.3453316583301 2421540 C1=CC(=C(C=C1Cl)COC(=O)C2=CC(=CN=C2)Br)OC(F)F 1 4.336 1 3 -0.972085523665292 2421533 C1=CC(=C(C=C1S(=O)(=O)O)C(=O)OCC2=C(C=CC(=C2)Cl)OC(F)F)O 1 3.829 0 7 0 -3.35519670716995 2421508 COC1=C(C=C(C=C1)CCNC2=NC=NC3=C2C=NN3)OC 1 1.641 5 2 0 -2.44349137557375 2421505 CN(CCC1=CC=CC=N1)C2=NC=NC3=C2C=NN3 1 0.871 6 0 0 -0.413716308975254 2421499 C1=CC(=CC(=C1)F)NC2=NC=NC3=C2C=NN3 1 1.551 5 0 0 6.7517538901274 2421493 CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC#N)C)C3=C(C=C(C=C3)OC)F 1 3.329 4 3 0 -7.71150066017941 2421488 CC1=C(C=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br 1 4.273 3 4 0 -21.7676840766343 2421482 CCOC(=O)C1=CC(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC 1 3.844 3 7 0 -12.553980442797 2421477 CC1=CC=CC=C1N2C(=CC(=N2)C3=CN=CC=C3)C(=O)NN=CC4=CC=NC=C4 1 3.333 6 1 0 -5.21844269257308 2421476 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C 1 3.297 3 4 0 -16.6399085397329 2421475 C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC4=CC=CC=C4O3)C(=O)O 1 4.519 2 3 7.15121057764031 2421472 CCOC(=O)C1=CC(=NN1CCC#N)C2=CC=CS2 1 2.854 3 2 -6.74803668998802 2421445 CC1=NN(C(=C1)NC(=O)/C(=C/C2=CC=CO2)/C#N)C3=CC=CC=C3 1 2.95 4 2 -14.8757486026093 2421435 CC1=C2C=C(C=CC2=NC=C1)C3=NC4=CC=CC=C4O3 1 3.953 2 1 10.003210340291 2421432 CN(C1=CC=C(C=C1)OCC(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4 1 3.769 3 4 0 -9.37950365136354 2421429 CCCNC(=O)NC1=NOC(=C1)C 1 0.957 3 2 0 -17.4131763577038 2421423 COC(=O)C1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NCCCN3CCOCC3 1 2.142 3 5 0 -8.04742767122461 2421412 C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CNS(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 3.956 2 4 -5.08873296378559 2421408 CCCNC(=O)COC(=O)/C=C/C1=CC=CO1 1 1.48 1 4 0 -11.8811970597852 2421365 C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC=CC=C3Cl)/C(=O)O 1 4.182 1 4 -11.7556179000238 2421294 CC1=C2C=C(C=NC2=NN1)C(=O)C3=CC(=CC(=C3O)Cl)Cl 1 3.292 3 2 3.62545703905217 2421284 COCCN1C(=CC(=O)NC1=O)NC(=S)NC(=O)C2CC2 1 0.496 4 4 0 -16.54666109997 2421278 C1=CC=C(C(=C1)N(CCC#N)C(=S)NC(=O)C2=CC=CS2)F 1 4.257 3 1 -14.9018704145799 2421275 CCOC(=O)C1=C(C2=CC(=CN=C2S1)C(=O)C3=C(C=CC(=C3)OC)O)C 1 3.867 1 5 -4.48450484410823 2421100 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NC=CN=C3C(=O)O 1 1.059 4 3 0 -5.41589315447465 2421093 CCOC(=O)NC1=C(C=C(C=C1)OC)S(=O)(=O)N2CCCCC2 1 1.96 2 5 0 -15.4571954843763 2421078 C1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 3.647 5 2 0 -15.754364350545 2421061 C1=CC(=CC(=C1)Br)/C=C/C(=O)OCC(=O)NC(=O)N 1 1.535 2 4 0 -3.74293632241308 2421057 COCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 1 1.611 5 3 0 -18.6498202233039 2421019 CCN1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 3.078 3 2 -3.50622100790826 2420986 CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)C3=CNC4=CC=CC=C43 1 4.747 2 6 0 -15.3522795202371 2420878 CCOC(=O)C1=CC=CC=C1NC(=O)CC2=C(N=C(S2)C3=CN=CC=C3)C4=CC=C(C=C4)C 1 4.808 3 3 -7.08468107046054 2420777 C1CC(=O)N(C1)CCOC(=O)C2=CC(=C(C(=C2F)F)F)F 1 2.161 1 3 -16.0502854797911 2420757 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)/C=C/C2=CC(=CC=C2)F 1 2.734 2 3 -5.05472563094275 2420710 C1CCC2=NN=C(N2CC1)C3CC3 1 1.846 3 0 0 -5.82731323978216 2420702 C1=C(C=C(C(=C1Cl)NNC(=O)CSC2=NNC(=N2)N)Cl)Cl 1 3.099 6 1 0 -3.80558601336233 2420697 CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C(F)(F)F 1 2.202 5 3 0 -13.8105078939447 2420696 CC1=CC(=C(C=C1)NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl)C 1 6.007 4 0 1.47084789435903 2420694 CC1=CC(=CC=C1)NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl 1 5.521 4 0 5.11639470519811 2420689 C1=CC(=CC=C1CCNC(=O)COC2=CC=C(C=C2)C#N)S(=O)(=O)N 1 1.362 3 4 0 -16.0145827045343 2420674 CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2Cl 1 3.612 2 5 0 -15.9612887562398 2420535 CCOC1=C(C(=NN1C2=CC=CC=C2)C)P(=S)(N(C)C)N(C)C 1 2.427 4 1 0.589797364898016 2420449 COC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=O)N4C=CSC4=N3 1 2.148 5 2 0 -19.0791297213446 2420406 C1CCCN(CC1)C(=S)NC(=O)C2CC2 1 2.914 2 1 -12.0599252223037 2420391 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)C3=CNC4=CC=CC=C43)C(=O)O 1 2.364 3 4 0 -6.50695348483679 2420386 CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C(=C(C=C4)F)F)F 1 4.669 4 4 0 -27.2735901187122 2420385 C1=CC=C(C=C1)CSCCNC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl 1 5.032 1 1 -4.88277188495399 2420364 COC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)OC 1 1.849 4 6 0 -23.3408946595522 2420336 C1CN(CCN1CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC=C(C=C3)Br 1 2.593 3 2 -7.40474191861777 2420318 CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=S)NCCN(C)C 1 5.133 4 0 -8.0770767192181 2420316 CCC1=CC=C(C=C1)N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C 1 3.55 2 5 0 -24.7216172073683 2420253 COC1=CC(=CC(=C1)C(=O)N2CC(=O)NC3=CC=CC=C32)OC 1 1.594 2 4 0 -14.6334020125766 2420227 C1COCCN1C(=O)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=C3Cl 1 2.284 3 4 0 -13.1325969992573 2420225 COC1=C(C=C(C=C1)C(=O)NCCSCC2=CC(=CC=C2)Cl)OC 1 3.867 1 3 -11.7918765323494 2420204 CC1=CC(=C(C=C1Cl)OC)NC(=O)/C(=C/C2=CC(=C(C=C2)OC)O)/C#N 1 3.797 2 4 -10.7308698265669 2420197 CC1=CC=C(O1)/C=C(\C#N)/C(=O)NC(C)C 1 1.611 2 2 0 -17.8778814395475 2420178 CCOCCCNC(=O)/C(=C/C1=CC=C(C=C1)C(=O)OC)/C#N 1 1.48 2 4 0 -20.838278503394 2420148 C1CN(CCN1C2=CC=C(C=C2)O)C(=O)CCOC3=CC=CC=C3 1 2.714 2 3 -2.54746113538729 2420087 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=CS3 1 0.686 4 3 0 -20.2461057641434 2420076 CCC1=NNC(=S)N1N=CC2=CC=C(C=C2)N(C)C3=CC=CC=C3 1 4.505 5 0 -3.76907243876313 2420073 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCCCCC3 1 4.029 2 4 -15.8849015926601 2420069 C1=CC2=C(C(=C1)N)C(=O)N(C2=O)C(=O)C3=C(C=CC(=C3)Cl)Cl 1 2.893 2 3 -2.88731186066253 2420059 C1=CC2=C(C(=C1)N)C(=O)N(C2=O)C(=O)/C=C/C3=CC=C(C=C3)F 1 2.237 2 3 -2.93608700008936 2420037 CCCCNC(=O)COC1=CC=CC=C1C(=O)C2=CN(C(=O)C(=C2)C#N)CCOC 1 1.326 3 5 0 -21.0736773799333 2420018 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 3.003 2 3 -12.6520904833058 2420016 CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2 1 0.927 3 7 0 -20.5868473313059 2420011 CNC(=O)COC(=O)C1=CC=CC=C1NC2=CC=CC=C2 1 2.295 2 3 -10.3958028340525 2420008 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)O 1 2.848 2 6 0 -12.9744128791557 2420006 COC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCC2=CC=CO2 1 1.577 1 6 0 -15.666582230328 2419988 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(O2)Br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l 1 2.301 4 1 -1.11377204082931 2419803 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NN=NN3C4=CC=CC=C4 1 3.372 6 0 2.6845736608558 2419802 C1CN(CCN1C2=CC=CC=C2O)C3=NN=NN3C4=CC=CC=C4 1 2.188 6 1 0 -1.92537716974462 2419791 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 1.916 2 4 0 -17.1259509940671 2419771 CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O 1 1.137 2 5 0 -5.05855696829693 2419751 C1=CC2=C(C(=C1)N)C(=O)N(C2=O)C(=O)C3=C(C(=CC=C3)Cl)Cl 1 2.893 2 3 -3.90418260493781 2419749 CC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC(=O)N4C=CSC4=N3 1 2.651 5 1 -18.7767892606503 2419721 CC1=C(C(=NO1)C)COC2=NC(=NC3=CC=CC=C32)C 1 2.332 3 2 -7.0118047287272 2419715 C1=CC=C(C=C1)N2C(=NN=N2)N3C4=CC=CC=C4N=N3 1 2.645 7 0 0 -5.76047168243495 2419709 COC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32)OC 1 3.529 2 5 0 -18.8180169776271 2419700 CCC1=NNC(=S)N1N=CC2=CC=C(C=C2)NC(=O)C 1 1.87 5 1 0 -10.5057960882666 2419689 CC(C)(C)NC(=O)COC(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-] 1 1.554 2 6 0 -19.8723700899416 2419654 CCOC1=CC=CC=C1NC(=O)/C(=C/C2=C(N(N=C2C)C3=CC=CC=C3)Cl)/C#N 1 4.222 4 2 -13.2939443722876 2419651 CCOCCCNC(=O)/C(=C/C1=CC(=C(C(=C1)Br)O)Br)/C#N 1 2.88 2 3 -13.9107398648473 2419593 C1=CC=C(C(=C1)NC2=NN=C(S2)SCC3=CC(=O)N4C=CSC4=N3)F 1 2.37 5 1 -18.8715255139002 2419570 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NN=CC2=CC=C(O2)C 1 1.679 3 4 0 -9.8998758281845 2419564 COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.355 3 4 0 -7.68434724884186 2419560 C1CCC(C1)NC(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 2.772 3 3 -9.71789689316106 2419555 CCC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2CCCCC2 1 3.405 1 4 -12.9144190166277 2419546 CC1=CC(=NC(=N1)SCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)C 1 0.236 5 3 0 -15.8346656983712 2419542 C1=C(C=C(C=C1Cl)Cl)NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 3.118 2 2 -5.46733780616488 2419462 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.395 2 5 0 -17.6170827961214 2419517 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C 1 0.618 4 4 0 -19.3296822386667 2419502 C1=CC=C(C=C1)C(CC(=O)OCC(=O)N)C2=CC=CC=C2 1 2.314 1 3 -10.4231596702357 2419489 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC(=O)OCC(=O)NCC3=CC=CO3 1 2.088 2 5 0 -15.4668436992733 2419487 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC4=C(C(=C(S4)C)C)C(=O)N3 1 3.661 3 5 0 -21.7889727360831 2419448 C1=CC(=C(C=C1NC(=O)CC2=C(C=C(C=C2)Cl)Cl)Cl)OC(F)F 1 5.448 1 2 -2.26445376289455 2419431 CC1CCN(CC1)C(=S)NC2=CC=C(C=C2)SC(F)F 1 5.58 2 0 -14.1782180637938 2419371 CC(=CC(=O)OCC(=O)NC(=O)NC(C)(C)C)C 1 1.338 2 4 0 -11.4488613144197 2419369 C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 1 3.121 3 3 -14.2228980333641 2419351 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=CC=C3 1 3.169 2 4 -15.1602678805797 2419348 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC(C)(C)C)C 1 1.897 2 5 0 -19.0398236594983 2419285 CCCC1=CC(=O)N=C(N1)SCC(=O)N(C)CC2=CC=CC=C2 1 2.797 3 2 -19.0496807017608 2419244 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=CC=C2)OC)N 1 0.226 3 6 0 -18.1308018224277 2419240 CC(C)NC(=O)COC(=O)C1=CC(=C(C=C1Cl)F)F 1 2.546 1 3 -13.7803992535359 2419227 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC(=O)NC4=CC=CC=C43)F 1 0.637 3 5 0 -26.5822669279776 2419223 CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)S(=O)(=O)N3CCOCC3 1 -0.467 4 8 0 -32.9174280405007 2419220 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3 1 2.994 3 5 0 -15.1448987288117 2419159 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)Cl)Cl 1 3.729 4 4 0 -18.9550828504695 2419133 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC(=O)C4=CC=CC=C4N3 1 3.784 4 4 0 -18.2998057773543 2419099 CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 2.356 3 5 0 -19.4503163482613 2419098 C1COCCN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5 1 3.191 4 6 0 -19.521710221326 2419087 CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(NC(=C4C(=O)OCC)C)C 1 5.6 3 4 0 -19.0812296070005 2419067 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CN=C(C=C2)Cl)N 1 -3.5e-002 4 5 0 -19.1413770327626 2418974 CCCCC(=O)OCC1=NC2=CC=CC=C2S1 1 3.461 1 2 -7.00121595269025 2418958 CC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC(CC2)C(=O)N 1 1.159 2 3 0 -7.54869033409573 2418919 COC1=CC=CC=C1NCCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.266 3 4 0 -10.1547400808646 2418905 CN(CC1=CC=CC=C1)C(=O)COC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 2.506 2 4 -19.8060263913978 2418901 COC1=CC(=C(C=C1)OC)C(=O)COC(=O)CC2=CC(=CC=C2)OC 1 2.926 0 6 -9.94583143321757 2418894 CCOC(=O)C1CCN(CC1)C(=O)CSC2=NCCS2 1 1.801 2 3 0 -18.0169185638464 2418891 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC=C(C=C3)C(C)(C)C 1 4.085 2 3 -5.39605433100234 2418887 C1=CC=C(C=C1)CN2C(=O)C(=O)N(C2=O)CC(=O)NC3=CC(=CC(=C3)Cl)Cl 1 2.878 3 4 0 -7.19084311836854 2418885 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.448 3 4 0 -13.6179429579197 2418860 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC(=O)NCC2=CC=CO2 1 0.464 3 7 0 -22.0600052777056 2418841 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl)N 1 1.924 4 3 0 -10.0355063345522 2418840 CC(C)(C)C(=O)NC(C1=CC=C(C=C1)OC)NC(=O)C(C)(C)C 1 3.425 2 3 -10.3363141450496 2418839 COC(=O)CC1=CSC(=N1)NCC2=CC=CC=C2 1 2.065 2 2 -5.47701335343842 2418828 CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)NC2=CC(=C(C=C2)OC)OC 1 1.296 2 6 0 -15.715810285326 2418824 C1=COC(=C1)C(=O)CSC2=NC=NN2 1 1.324 3 2 0 -8.28447719132472 2418821 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)OCC3=CC=C(C=C3)Cl 1 2.85 1 5 -13.7796502313012 2418820 CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)OCC#N 1 2.505 3 2 -15.613165942977 2418804 CC(C)(C)C(=O)NC(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(C)(C)C 1 3.336 3 4 0 -12.0177457232627 2418741 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=C(C=C(C=N3)C(F)(F)F)Cl 1 2.51 5 4 0 -9.71931849502263 2418768 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4)N 1 0.682 6 5 0 -24.794099233401 2418751 CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CNC(=O)C 1 -0.543 2 5 0 -15.8044893256715 2418682 CC1=CC=CC(=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)NC(=O)C 1 1.281 3 3 0 -13.6943250404553 2418721 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4 1 2.2 2 5 0 -12.3075503289776 2418702 C1COCCN1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br 1 3.321 3 2 -7.23480334124605 2418691 C1=CC=C(C=C1)CN2C(=O)C(=O)N(C2=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 1.594 3 5 0 -4.78951629235336 2418684 C1CC(C1)C(=O)NNC2=C(C=C(C=C2Cl)Cl)Cl 1 4.179 2 1 1.28579197066354 2418647 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CN3C(=O)C(=O)N(C3=O)CC4=CC=CC=C4 1 3.32 3 5 0 -8.81073504200389 2418645 C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C(=O)C(=C(C=N3)Cl)Cl 1 1.445 4 2 0 2.03926511969542 2418641 CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)OCC(=O)NC(=O)NCC=C 1 2.231 4 4 0 -23.5609821657402 2418625 C1=CC=C(C=C1)C(=O)COC(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.582 2 5 0 -15.3789645732741 2418611 C1CN(CCN1C2=CC=C(C=C2)O)C(=O)CCC(=O)C3=CC=C(C=C3)Br 1 3.335 2 3 -1.14208126541803 2442137 CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)CCl 1 3.803 1 1 -7.34796269386313 2442131 CN(CC1=CC=CC=C1F)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.45 3 3 0 -8.46282676374756 2442127 CCCCNS(=O)(=O)/C=C/C1=CC=CC=C1 1 2.011 1 2 0.234044585945964 2442124 C1=CC(=CC(=C1)Cl)S(=O)(=O)NCC(=O)O 1 0.886 1 4 0 -7.74330697841974 2442102 CCN(CC)CCNS(=O)(=O)C1=CC(=C(C=C1)OC)Br 1 2.309 2 3 -6.80915162690341 2442071 C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.566 3 2 -24.2392905814551 2442061 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.337 2 4 -7.6260592505036 2442055 CCC(CC)NC(=O)C1=CC(=CC=C1)OC2=CC=CC=C2 1 4.372 1 2 -6.99165608482037 2442030 CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.867 2 2 -0.471346089509051 2441979 C1C(=O)NC2=CC=CC=C2N1C(=O)/C=C/C3=CC=CO3 1 1.489 2 3 0 -9.70903077217664 2441963 C1=CC=C(C=C1)CCCNC(=S)NC2=CC=CC=C2Cl 1 5.537 2 0 -8.63822534062522 2441961 CC1=CC=C(C=C1)CNC2=NC(=C(S2)C(=O)C)C 1 2.547 2 1 -4.05498240666511 2441960 COC1=CC(=C(C=C1)C2=CSC(=N2)C3=CC=CC=C3)OC 1 4.124 1 2 5.40394321222536 2441958 COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2CC3=CC=CC=C3 1 3.905 1 5 -8.92655882422759 2441942 CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC(=C(C(=C2)Cl)O)Cl 1 3.618 1 4 -5.95843439807653 2441931 CC1=C(C=C(C=C1)SCC(=O)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)C 1 2.969 2 4 -11.862321036728 2441921 C1=CC=C(C=C1)CNC(=S)NCC2=CC(=CC=C2)CNC(=S)NCC3=CC=CC=C3 1 5.819 4 0 -6.48759363357555 2441890 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 1.756 3 3 0 -26.5135914082825 2441887 C1=CSC(=C1)C(=O)CCC(=O)NCC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.199 2 3 -17.233269784715 2418592 CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C 1 2.875 2 6 0 -13.9908461783944 2418589 C1=CC=C(C(=C1)CNC(=O)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)Cl 1 3.286 2 4 -22.2355384662567 2418588 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=C(C=CC(=C2)C)OC)C 1 3.012 2 6 0 -15.7653930143848 2418552 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.248 2 4 -3.86977450423421 2418521 C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 2.21 2 6 0 -17.5480497494878 2418504 CC1=C(C(=NN1CC(=O)OCCOC2=CC=C(C=C2)Br)C)[N+](=O)[O-] 1 2.89 3 5 0 -7.0507315606779 2418493 CCNC(=O)COC(=O)C1=C(C=CS1)C 1 1.533 1 3 0 -14.0572418743335 2418460 CCCC1=CC(=O)N=C(N1)SCC(=O)N(CC2=CC=CC=C2)C(C)C 1 3.523 3 2 -18.7654856908845 2418440 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CC2=CSC=C2)N 1 -6.1e-002 3 5 0 -18.9002935394417 2418407 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC(=O)C3=CC=C(C=C3)O)C)C 1 3.684 1 4 4.73397979750282 2418391 CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC(=CC=C2)OC)C 1 3.075 3 4 0 -15.1457318980632 2418345 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.797 1 7 0 -23.1321195859816 2418287 CCN(C1=CC=CC=C1)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3N=C2 1 3.237 3 3 -6.22563964903167 2418288 C1=CC(=CC=C1NC(=O)CSC2=NN=C(N2N)C(F)(F)F)S(=O)(=O)N 1 0.476 6 3 0 -18.9723434153365 2418293 CC1=CC=CC(=C1O)C(=O)OCC(=O)N2CCCCCC2 1 2.568 1 4 -7.06973239363749 2418310 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C 1 3.506 4 2 -9.44768835790064 2418273 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.658 0 5 -3.930400697959 2418267 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3 1 1.878 3 5 0 -11.6470905618663 2418264 COC1=CC(=C(C=C1)OC)/C=C/C(=O)N2C(=O)C3=C(C2=O)C(=CC=C3)N 1 1.999 2 5 0 -4.58741247497526 2418253 C1=CC=C(C(=C1)CNC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])Cl 1 3.648 2 3 -7.73433047552248 2418238 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC=CN=C3 1 0.927 4 3 0 -20.2100385704259 2418237 C1CCC(CC1)NC(=O)COC(=O)C2=CC=CNC2=O 1 0.409 2 4 0 -15.6337678633623 2418224 C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC(=CN=C2)Br)F 1 2.131 2 3 -12.6944584911597 2418216 CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C(C=CC=C2Cl)F 1 3.53 1 4 -12.4265989425276 2418197 C1CCCC(CCC1)NC(=O)CC2=COC3=CC4=C(CCC4)C=C32 1 5.204 1 2 -10.6705577786521 2418189 C1CCC(C1)(C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.687 2 5 0 -10.7540620584505 2418147 CC1=C(C=C(C=C1)F)NC(=O)CCC(=O)C2=CC=CS2 1 3.215 1 2 -10.7054591720661 2418131 C1=CN=C(N=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)F)F 1 1.475 3 3 0 -7.3927579978201 2441872 CC1=CSC(=N1)NC(=O)CCC(=O)C2=CC=CS2 1 1.803 2 2 0 -10.910183937517 2441871 C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(S2)N 1 2.466 3 1 -9.08984516643077 2441817 C1=CC=C(C=C1)C[C@@H](C2=NC3=CC=CC=C3N2)NC(=O)CC4=CC=CC=C4 1 4.405 3 1 -4.68439580380952 2441809 C1CCC(CC1)NC(=O)COC2=NC3=CC=CC=C3N=C2N4CCOCC4 1 2.504 4 3 0 -8.29783095751932 2441746 C[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1C(=O)OC)NC(=O)N 1 -0.154 3 6 0 -19.4856144987677 2441718 COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 3.291 2 4 -8.72067882192531 2441708 CC(C)CN(CC(C)C)C(=O)CN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 3.251 2 3 -8.18365339522386 2441703 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NNC(=N3)C4=CC=CS4 1 2.942 4 3 0 -13.8789105246021 2441690 CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC3=C2C=CS3 1 1.667 4 3 0 -13.6685045191507 2441644 CN(CC1=CC(=CC=C1)OC)C2=NC(=NC3=CC=CC=C32)C4=CC=CS4 1 4.609 3 1 2.73706025992936 2441642 CCC(=O)NC1=CC=C(C=C1)C(=O)CN2CCC(CC2)C 1 2.532 2 2 -9.35263718254182 2441640 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)Cl 1 3.168 3 1 -4.97262624546068 2441633 COC1=CC=CC(=C1)NC(=O)CN2CCSC3=CC=CC=C32 1 2.972 2 2 -7.92560058580405 2441581 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.87 4 6 0 -23.5959103288578 2441580 CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)F)NC(=O)C2=CC=CO2 1 2.309 2 5 0 -17.9900031342615 2441577 CC(C)(C)C(=O)COC(=O)CNC(=O)C1=CC(=CC(=C1)OC)OC 1 1.84 1 6 0 -16.9585920456068 2441554 CN(CC1=CC=C(C=C1)OC)C(=S)NC2=C(C=C(C=C2)Cl)Cl 1 5.944 2 1 -2.09690613468269 2441542 C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.748 3 3 -25.5779623512181 2441538 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CO3 1 3.737 3 3 -26.0063796800317 2441528 CN1C(=NN=N1)SCC(=O)C2=CC=C(S2)Br 1 2.001 4 1 -15.3085889426481 2441503 C1CN(CCN1C(=S)NC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 3.837 3 2 -24.1912388531398 2441502 C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC(=O)N)Cl 1 1.416 2 4 0 -7.61855678410427 2441497 C1CN(CC2=CC=CC=C21)C(=S)NCC3=CC=CC=C3 1 4.435 2 0 -12.9916486769852 2441494 CC1=C(C=C(C=C1)F)NC(=S)NCCC2=CC=CC=C2 1 5.108 2 0 -8.18501296844314 2441480 CC(C)[C@@H](C(=O)NC1=NC2=C(S1)CCCC2)NC(=O)C3=CC=CC=C3F 1 3.594 3 2 -19.2800635330445 2441451 COC1=CC=CC(=C1)CC(=O)NC2=NC(=CS2)C3=CN=CC=C3 1 2.426 3 2 -2.99356581314045 2441441 CCNC(=O)CN1C2=C(C=CC(=C2)Cl)N(C(=O)C1=O)CC3=CC=CC=C3 1 2.119 3 3 -3.89235994992027 2441437 CC(C)(C)C1=CSC(=N1)NC(=O)C2=C(N=CC=C2)SC 1 3.371 3 1 -10.6451152116028 2441434 CCC1=C(C=C(S1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C 1 2.899 2 3 -12.6450687267276 2441426 CNC(=O)COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl 1 1.303 2 5 0 -8.51224896406769 2441423 COC1=C(C=C(C=C1)CNC(=O)C2=C(N=CC=C2)SC)OC 1 2.519 2 3 -17.7633782603658 2441420 CC1=NN=C(S1)NC(=O)C2=NC3=CC=CC=C3C=C2 1 1.964 4 1 0 -13.2001468280162 2441418 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 4.266 1 2 -2.57633679120455 2441398 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC=C3F)F 1 3.216 2 4 -1.00795289275591 2441383 C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C3=NC=CN=C3 1 2.966 3 2 -5.26691121505873 2441366 CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)CCCC4 1 3.938 4 2 -13.7065576850701 2441355 COC(=O)CNC(=O)CSC1=NC(=O)C=C(N1)N 1 -0.999 4 4 0 -23.343831083319 2441315 COC1=CC=CC=C1NC(=O)CN2CCSC3=CC=CC=C32 1 2.972 2 2 -11.4720732893905 2441266 CCC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)NC(=O)C 1 3.132 1 3 -7.58303795522418 2441247 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.073 4 7 0 -10.9322661724126 2441245 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.878 2 4 4.30285276359196 2441226 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 3.166 2 3 -10.1557475436368 2441216 CNC(=O)COC(=O)C1=CC=CC=C1OC2=CC=CC=C2 1 2.305 1 4 -8.69761320788759 2441196 COC1=C(C=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)OC 1 1.932 2 4 0 -5.86833717627932 2441194 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=C(C=C(C(=C2)C)Cl)OC)C 1 3.677 2 6 0 -16.1617403188013 2441193 CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 1.781 3 3 0 -6.82253956396293 2441185 C1CN(CC2=CC=CC=C21)CC(=O)NCC3=CC=CO3 1 1.803 2 2 0 -15.0322052442821 2441181 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CN2CCC3=CC=CC=C3C2)N 1 1.407 4 3 0 -13.8831155407219 2441168 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CO4 1 2.001 4 5 0 -14.275651675822 2441151 CC(=O)NC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3 1 2.325 3 2 -3.56543541373265 2441134 CCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC3=CC=CS3 1 4.945 2 1 -1.68393560718043 2441116 CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)F)F 1 1.576 3 3 0 -5.79833572469457 2441114 CC1(CC2=C(O1)C(=CC=C2)OC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)C 1 2.997 2 4 -16.1203152114303 2441068 CC1=CC=C(O1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C 1 2.219 3 3 -1.08592306549427 2441045 CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 2.117 4 3 0 -26.7167187401995 2441036 CSC1=CC=CC(=C1)NC(=O)C2=CC=CC=N2 1 2.434 2 1 -4.14125698394877 2418021 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CCOC2=CC=CC=C2OC)C)C 1 2.597 1 7 0 -14.1723272468979 2418014 C1CN(C2=CC=CC=C21)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3Cl 1 2.326 2 4 -19.766976345389 2417976 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)NC3=CC=CC=C3C(C)(C)C 1 2.517 5 3 0 -16.4527734432811 2417975 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)N 1 1.904 2 5 0 -13.9885923631668 2417936 CCN(CC(=O)NC1=CC(=CC=C1)OC)C2=C3C(=C(SC3=NC=N2)C)C 1 3.414 4 2 -8.38606075985561 2417851 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2Cl)C 1 2.886 2 6 0 -18.7757798766461 2417857 COC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)C2=CC3=C(CC4=CC=CC=C43)C=C2 1 3.647 1 5 -16.3746451351791 2417901 CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=[N+](C=C1)[O-] 1 -0.539 3 5 0 -18.4658251576465 2417884 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32)C 1 0.129 4 7 0 -26.3108974915339 2417800 CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)N3CCC4=CC=CC=C43 1 5.136 2 3 -12.7772226181862 2417781 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 1.093 3 4 0 -23.6970404580401 2417779 C1=CC(=CC=C1CNC(=O)CNC(=O)C2=CC=C(C=C2)F)Cl 1 2.551 2 2 -10.6259610759106 2417768 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)NCC3=CC=CO3 1 1.018 3 3 0 -18.4167788290002 2417741 C[C@@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)N 1 1.851 3 3 0 -10.7656250568783 2417716 CSC1=C(C=CC=N1)C(=O)OCC2=CC=CC=C2F 1 3.404 1 2 -9.65158926062512 2417704 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC(C)(C)C 1 2.145 2 3 -15.1321314798418 2417702 CN(CC(=O)OCC(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.961 2 5 0 -15.3570997988372 2441010 CC1=CSC(=N1)NC(=O)CSC2=CC=CC=C2F 1 2.493 2 1 -9.49694897180827 2440982 C1=CC=C(C(=C1)C(=O)NCCC(=O)NC2=CC=CC(=C2)C(F)(F)F)Cl 1 3.529 2 2 -8.57598223523051 2440971 C1CS(=O)(=O)N=C2N1C3=C(S2)C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl 1 2.561 3 3 -8.51036796632665 2440919 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCN(C)C 1 4.504 5 2 0 -13.2380001538303 2440888 C1=CC(=CC=C1CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)S(=O)(=O)N 1 1.323 2 6 0 -9.55929326818965 2440848 C1CCC(CC1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 3.391 2 3 -13.6559718133108 2440838 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3=C[N+](=CC=C3)[O-] 1 1.385 2 4 0 -8.68886372099394 2440834 CC1=C(C=C(C=C1)F)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br 1 4.148 2 3 -5.8215526478629 2440804 COC1=C(C=C(C=C1)Cl)NC(=O)CNC2=CC=CC=C2N3CCOCC3 1 2.773 3 3 -8.01246366091031 2440789 CCOC(=O)NC(=O)CSC1=NN=C(S1)SCCC(=O)O 1 1.494 3 5 0 -19.8484598409268 2440777 CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC(=C4)C(=O)O 1 4.549 3 5 0 -23.5924218673079 2440754 CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3CC=C)C4=CC=C(C=C4)F)C(=O)O 1 3.939 5 3 0 -19.1267005566479 2440737 CC1=C(SC2=C1C(=O)NC(=N2)CSC3=C(C=C(C=N3)C(F)(F)F)Cl)C(=O)O 1 4.076 3 3 -11.1264230520036 2440731 CN(CC1=CC=CC=C1OC)C2=NN=NN2C3=CC=CC=C3 1 2.367 5 1 -5.77927560470931 2440653 C1CC1NS(=O)(=O)C2=C(C=C(C=C2)Cl)F 1 2.1 1 2 -4.49589872743771 2440658 CC1=C(SC(=N1)NCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 3.105 3 1 -6.51004459016773 2440673 CCOC1=CC=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CO2 1 2.729 2 4 -17.6110221191488 2440663 CC1=C(SC(=NC)N1C)C(=O)NC2=CC=CC=C2 1 1.791 3 1 0 -5.56243592941597 2440631 CN(CC(=O)NCCC1=CC=CC=N1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.567 3 3 0 -13.2075130283878 2440618 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CCC(=O)C2=CC=CS2 1 2.555 2 3 -19.36182644213 2440604 CC1=NC(=CS1)CC(=O)NNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.662 3 3 0 -8.90143884838938 2440581 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=NC4=CC=CC=C4C=C3 1 2.65 3 4 0 -19.7357606208762 2440550 C1=COC(=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)C(=O)N 1 0.32 3 4 0 -15.959725715703 2440541 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSCC3=CC=C(C=C3)F 1 2.995 1 3 -14.1752328732741 2440523 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC=CS3 1 1.504 2 5 0 -19.4917618443347 2440520 CN(C1=CC=CC=C1)C(=O)CSC2=NC(=O)C=C(N2C3CCCC3)O 1 3.344 3 3 -16.2418773113583 2440519 CCOC1=CC=CC=C1C(=O)NCC(=O)N(C)CC2=CC=CC=C2C 1 2.705 2 3 -15.7555603518848 2440506 COC1=CC=C(C=C1)/C=C(\C#N)/C2=CNC3=CC=CC=C32 1 3.932 2 1 -3.50755143540771 2440442 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CS3)CC4=CC=C(C=C4)Cl 1 4.867 3 2 -22.1529305313493 2440433 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N4CCCC4)C 1 3.585 4 3 0 -4.93952418875272 2440410 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C(=CC=C3)Cl)Cl 1 2.482 3 3 -7.03137775261602 2440394 CC1=CC(=C(C=C1NC(=O)CCS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])C 1 3.107 2 5 0 -18.8847161933422 2440380 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43 1 2.916 4 4 0 -19.3608206431187 2440378 CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCC3=CC=CS3 1 4.661 2 1 -8.12734826966282 2440370 CC1=C(SC(=N1)NCCOC)C(=O)C 1 0.346 2 2 0 -8.34758311816316 2440339 C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NCC3=CC=C(C=C3)Cl 1 2.47 3 2 -16.9067438130117 2440293 CN1C2=NC=C(C=C2C(=C(C1=O)C#N)C3=CC=C(C=C3)F)C(=O)C4=C(C=CC(=C4)OC)O 1 3.515 3 4 0 -1.13269798796996 2440240 C1=CSC2=NC(=CC(=O)N21)COC3=NC=NC4=C(C=C(C=C43)Cl)Cl 1 3.104 4 2 -7.00176368045948 2440137 C1=CC=C(C=C1)CN(C2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl 1 4.401 1 4 -9.13016999510958 2440164 CC1=C(C(=NN1CC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)C)[N+](=O)[O-] 1 1.247 5 4 0 -13.6730400654185 2440131 COC1=CC=C(C=C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl 1 4.384 1 5 -8.74790465385769 2440127 CC1=CC=C(C=C1)CNC(=O)COC2=CC=C(C=C2)NC(=O)C 1 2.063 2 3 -12.1407518202501 2440126 CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)CC#N 1 2.129 4 1 -11.1949422045882 2440093 CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N4CCS(=O)(=O)N=C4S3 1 3.297 3 3 -12.2278246704038 2440088 C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)CC4=NNC(=O)C5=CC=CC=C54 1 2.722 6 2 0 -19.1492890870939 2440052 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3 1 2.745 2 3 -13.9651059545725 2440039 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)O 1 2.873 0 4 3.32474544274665 2440031 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3O 1 -0.748 4 3 0 -14.3789096804421 2440022 CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=NN2O 1 -1.666 4 3 0 -8.17690917351766 2439962 C1CCCC(CCC1)NS(=O)(=O)C2=CC=CC=C2F 1 3.717 1 2 -9.30464396757577 2439959 CCNC(=O)COC(=O)CCNC(=O)C1=CC(=CC=C1)C 1 0.888 2 4 0 -16.9597572053371 2439958 CC1=C(C=CC(=C1)Cl)OCC(=O)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Cl)O 1 4.74 2 4 3.23921507589415 2439946 CC1=CC(=C(C=C1)C)S(=O)(=O)NCCCC2=CC=CC=C2 1 4.074 1 2 -6.86992278940997 2439944 CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C#N)C(=O)C3=CN(C(=O)C(=C3)C#N)C4CC4 1 3.507 3 3 -8.44057706749912 2439933 COC1=CC=CC=C1CNC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)N 1 0.742 3 4 0 -16.4173621934499 2417658 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)F 1 2.332 2 5 0 -11.2176828754179 2417657 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=O)NC4=CC=CC=C43)C)C 1 3.155 3 4 0 -20.2441100840476 2417654 CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C(C=CC(=C2)C(=O)C)OC 1 2.384 1 6 0 -15.1097920230374 2417639 C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)N 1 1.555 2 3 0 -8.72662687015516 2417632 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C)S(=O)(=O)N2CCOCC2 1 0.762 2 6 0 -31.8023484275329 2417630 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)OC 1 0.458 4 6 0 -25.3517241920898 2417626 COC1=CC=CC(=C1OC)/C=C/C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.899 2 4 -5.59502154058405 2417609 C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)N 1 2.536 2 3 -10.7710694763268 2417581 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.56 3 5 0 -11.2281633273765 2417560 CCCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C 1 2.086 2 3 -15.1587713987873 2417558 C1=CC(=C(N=C1)Cl)C(=O)OCC(=O)NCC2=CC=CS2 1 1.791 2 3 0 -14.4961214389689 2417556 C=CCN(C1=CC=CC(=C1)C(F)(F)F)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3 1 4.574 2 5 0 -21.4160978403986 2417547 CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CS2)S(=O)(=O)N3CCOCC3 1 1.359 2 6 0 -31.4481449125432 2417538 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 2.716 1 5 -12.1796469202334 2417536 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC(=CN=C3)Br 1 2.656 2 3 -12.7046689049072 2417522 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CN=C(C=C3)Cl 1 1.819 2 5 0 -16.519095999853 2417513 C1=CC=C2C(=C1)N=C(S2)CSC3=CC=CC=N3 1 3.62 2 0 -1.3891729905498 2417505 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=CN=C(C=C3)Cl 1 1.894 3 4 0 -11.9678961310324 2417496 C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)N 1 0.139 3 4 0 -13.0136340530596 2417477 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3 1 3.722 4 3 0 -20.5105745560739 2417464 CSC1=C(C=CC=N1)C(=O)OCC2=CC=CC=C2Cl 1 3.863 1 2 -8.76513262193407 2439902 CCC1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=CC=C2 1 3.512 1 2 -6.48630164709654 2439880 C1=CC(=CC=C1CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)O)Cl 1 2.847 2 4 -8.15739001822988 2439847 CC(C)(CNC(=O)COC1=CC=CC=C1CC2=CC=CC=C2)N3CCOCC3 1 3.256 2 3 -12.7646546797994 2439838 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=CC=CC=C3C=C2OCC(=O)NCC4=CC=CO4 1 3.801 2 5 0 -15.2508641620763 2439812 CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CN3)O 1 2.374 3 2 -3.63439028826289 2439795 CC1=C(SC(=N1)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C 1 4.39 4 2 -2.92050992728702 2439792 CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 2.744 3 4 0 -33.31103786274 2439735 C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=CC=CC=C4O3 1 2.925 2 3 -5.71993271160642 2439719 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NCC3=CC=CC=C3F 1 2.543 3 2 -11.2732805160538 2439714 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)N4C(=O)C5=C(C4=O)C(=CC=C5)N 1 4.361 3 3 -2.47647527060282 2439704 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.384 1 4 -16.6758452404617 2439701 C1CC2=C(C1)C=C(C=C2)OCC(=O)NCC3=CC=C(C=C3)Cl 1 4.178 1 2 -8.71373392330241 2439674 CC1=CC=CC=C1NC2=C(C(=C(S2)C(=O)NC3=CC(=CC=C3)Cl)N)C(=O)NC4=CC=CC=C4OC 1 5.415 4 3 0 -8.45715577344865 2439672 CCN(CC(=C)C)C(=O)CSC1=NC(=O)C=C(N1C2CCCC2)O 1 3.179 3 3 -23.7260188936475 2439671 COC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)C(=O)NC4=CC=CC=C4OC 1 5.531 3 4 0 -8.71758959934869 2439670 CC1=CC=CC=C1NC2=C(C(=C(S2)C(=O)NC3=CC(=CC=C3)Cl)N)C(=O)N 1 3.648 4 2 -3.4421842565698 2439667 C=CCNC(=S)NN=CC1=CC=C(C=C1)C(F)(F)F 1 3.79 3 0 -6.2802552200722 2439660 COCCCNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 0.25 2 5 0 -19.7598087602566 2439642 C1CN(C2=CC=CC=C21)C(=O)CON=CC3=CC=CC=C3OC(F)F 1 3.418 2 3 -6.61054762812739 2439585 C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2C(F)(F)F)/C#N 1 3.863 2 1 -10.802247970996 2439556 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NCC3=CC=CS3 1 1.943 2 2 0 -20.2745436024632 2439490 CN1C(=O)C2=CC(=CN=C2N(C1=O)CC3=CC=CC=C3)C(=O)C4=C(C=CC(=C4)OC)O 1 3.094 3 5 0 -7.48416066165857 2439531 CN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4 1 3.09 4 2 -14.6280701985579 2439452 CC1=CC=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC=C(S2)C 1 1.966 2 4 0 -13.7658152048947 2439461 CC1=C(C=C(C=C1)OCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)C 1 1.05 3 6 0 -17.2784478466781 2417401 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC(=O)N 1 1.95 3 5 0 -19.0639183600065 2417338 COC1=C(C=C(C=C1)NC(=O)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)Cl 1 2.423 2 6 0 -14.7938756598739 2417349 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3 1 3.716 1 5 -15.4745171950557 2417389 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC(=O)OCC3=CC=C(C=C3)Cl 1 4.511 1 3 -4.89423483923479 2417383 COC(=O)C1=CC=C(C=C1)COC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 2.308 2 5 0 -16.7223606589057 2417359 C1=CC=C(C(=C1)COC2=CC=CC=C2C(=O)OCC(=O)N)Cl 1 2.77 1 4 -7.28462068218198 2417113 CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F 1 4.216 3 4 0 -14.9386872293372 2417155 CC(C)(C)NC(=O)COC(=O)/C=C/C1=CC=C(C=C1)F 1 2.349 1 3 -10.4780853999124 2417145 CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2C 1 2.212 3 5 0 -12.1208798103803 2417140 C1=CC=C(C(=C1)C(=O)N2C(=O)C3=C(C2=O)C(=CC=C3)N)Cl 1 2.228 2 3 -5.67379373658688 2417137 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F 1 2.704 3 4 0 -19.1764742195046 2417089 COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC 1 2.166 2 5 0 -25.6296258802568 2417050 CC1=NN=C(N(C1=O)N)SCC2=NN=C(O2)C3=CC=CC=C3 1 1.135 6 2 0 -11.2044647278907 2416992 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2CCCC2 1 1.961 2 5 0 -20.8603866702637 2416971 CC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)C1=CC(=CC(=C1)Cl)[N+](=O)[O-] 1 1.075 4 7 0 -19.6108138673733 2416888 CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3O)C 1 3.644 2 6 0 -10.209315357105 2416901 CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCCO3 1 3.046 1 5 -15.2127827919543 2416938 CNC(=O)COC(=O)C1=C(N=CC=C1)SC 1 0.675 2 3 0 -16.4949288785356 2416928 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)O 1 3.405 2 5 0 -6.94901679667524 2416925 CCC1(C(=O)N(C(=O)N1)CC(=O)C2=CC=C(S2)Cl)CC 1 2.557 2 3 -2.60872140771634 2416879 C1C/C(=C\C2=CC=C(C=C2)C(=O)O)/C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/C1 1 4.397 0 5 -2.00754940635817 2416868 CC1=CC(=C2CC/C(=C\C3=CC=C(C=C3)C(=O)O)/C(=O)C2=C1)C 1 4.865 0 3 -1.53415322952172 2416833 CCOC(=O)C1=C(NC(=C1C)C(=O)CN2C(=O)C3(CCCC3)NC2=O)C 1 1.994 3 5 0 -10.1612871393312 2416796 CC1=C(C(=NO1)C)C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 2.823 2 4 -18.8324604155467 2416795 C1CCCC(CC1)NC(=O)CON=CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.964 3 4 0 -7.34760679957249 2416793 C1=CC=C(C=C1)N(CCC#N)C(=O)CON=CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.411 4 4 0 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-8.43776060275682 2416671 CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C=NN3C(=NNC3=S)C)Cl 1 3.537 6 0 -2.60622224475898 2416670 COCCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)N)/C#N 1 -7.3e-002 4 2 0 -10.2793482975645 2416661 CC(=O)CN1C(=NC2=CC=CC=C2C1=O)CN3CCCC3 1 1.084 3 2 0 -6.49080499600702 2416567 C1=CC(=CC=C1/C=C/C(=O)NC2=CC3=C(C=C2)NC(=O)N3)F 1 2.15 3 2 -11.9997515651553 2416553 C1CCC2(C1)N=C(NC(=N2)NC3=CC=CC=C3)N 1 1.894 5 0 0 0.769355725809745 2416544 CC1=CC(=C(C=C1)C)NCCC#N 1 2.589 2 0 -3.23859997659481 2416543 COC1=CC(=C(C=C1)NC(=O)COC2=CC=CC=C2C#N)S(=O)(=O)N3CCCCC3 1 2.346 3 5 0 -18.2738935574011 2416540 CC1=C(C=C(C=C1)NCCC#N)C 1 2.589 2 0 -3.43356478319416 2416530 COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC4=CC=CC=C4C3 1 3.029 3 3 -24.7324278692338 2416527 CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)N 1 3.201 3 0 -0.238697157697693 2416484 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)NC(=O)NC(C)C 1 1.603 2 7 0 -19.8685671055466 2416482 CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 4.383 3 3 -5.86017315349982 2416469 C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NCC(=O)OCC3=CC=C(C=C3)Br 1 4.637 1 4 -7.70448474511822 2416447 C1=CC(=C(C=C1Cl)Cl)CCNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-] 1 1.984 2 4 0 -15.484855381851 2416409 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-] 1 3.913 2 5 0 -11.0385516893921 2416381 COC1=CC=CC(=C1OC)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.606 2 6 0 -7.35398417747928 2416370 CC(C)(C)NC(=O)COC(=O)C1=C(N=CC=C1)SC 1 1.606 2 3 0 -20.1860423373235 2416361 CC1=CC=CC(=C1O)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 3.645 2 4 -4.89874287545268 2416357 C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-] 1 2.445 2 4 -13.5308022592852 2416356 C1=CC=C(C(=C1)CN2C=CSC2=NC(=O)CCl)Cl 1 2.827 2 1 -7.82953491096726 2416350 C1=CC=C(C=C1)C2=NN(C(=C2)NC3=CC=CC=C3N)C4=CC=CC=C4 1 4.931 4 0 1.88325924789564 2416343 CCOC(=O)C1=CC(=NC2=C1SC(=N2)N3CCCCC3)C4=CC=CC=C4 1 4.111 3 2 -4.3371668385401 2416322 CC1=CC(=C(N1C2CCCCC2)C)/C=C(\C#N)/C(=O)O 1 3.215 2 2 -11.7396920455246 2416284 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=C[N+](=CC=C4)[O-] 1 2.397 2 4 -6.88416371919861 2416267 CC1=CC(=C(C=C1)NC2=NN=C(S2)SCC(=O)C3=CC=C(S3)Br)C 1 5.05 3 1 -9.94186089146207 2416265 CC(C)(C)NC(=O)NC(=O)COC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC 1 1.875 2 7 0 -14.8081531143021 2416240 CCOC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)C 1 1.803 1 4 0 -16.4454885405583 2416224 CN(C1=CC(=C(C=C1OC)OC)Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NCCS3 1 3.427 3 5 0 -23.5007668646624 2416181 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N(CCC#N)C3=CC=CC=C3F 1 1.544 4 3 0 -13.2365811436594 2416174 CC(C)(C)NC(=O)COC(=O)CC1=CC=C(C=C1)Cl 1 2.375 1 3 -12.2804648023266 2416166 CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=NN3C4=CC=CC=C4 1 4.183 4 3 0 -13.9289947974357 2416154 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=NC3=CC=CC=C3C=C2 1 3.607 1 4 -9.02380297975992 2416148 CCNC(=O)COC(=O)/C=C/C1=CC=CC=C1[N+](=O)[O-] 1 1.456 2 5 0 -8.88559327883982 2416119 CN1C(=NN=C1SCC(=O)C2=C(C=C(C=C2)O)O)C3=CC=CC=C3 1 3.18 3 3 -1.26860186304303 2416106 CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)OC(F)(F)F 1 3.576 2 5 0 -11.4691435591344 2416098 CC(C)(C)NC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)Cl 1 2.296 1 4 -14.7316711129625 2416095 CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CSC3=CC=CC=[N+]3[O-] 1 3.105 3 5 0 -20.3477587158467 2416093 CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl 1 3.945 3 4 0 -15.1611592978243 2416086 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC(=C(C=C2)OC)OC)C)C 1 2.497 1 7 0 -14.8227397769675 2416067 C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=C[N+](=CC=C3)[O-] 1 0.607 2 4 0 -16.6623579353772 2416044 CC1=C(SC2=C1C(=NC=N2)SCC(=O)C3=C(C=C(C=C3)O)O)C 1 3.596 2 3 -2.28714876036314 2416006 C1CN(CCN1C2=NN=NN2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 1.384 6 2 0 -20.5754662098916 2416000 C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)F 1 5.654 3 1 -5.85962709348458 2415979 C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=C(C=C(C=C3)O)O 1 2.572 4 3 0 -11.028951874125 2415936 C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)N4C=CSC4=N3 1 1.665 6 1 0 -26.5376537259155 2415900 C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC(=O)NC4=C(C=C(C=N4)C(F)(F)F)Cl 1 3.612 4 4 0 -5.66348955040163 2415784 C1=CC=C2C(=C1)C(=NN(C2=O)CCOC3=C(C=C(C=C3)Cl)Cl)C(=O)O 1 3.776 2 4 -3.90399707618576 2415782 CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=N2)O 1 2.4 3 3 -9.43332249274706 2415722 CC(C)NC(=O)NC(=O)COC(=O)CC1=C(C=CC=C1Cl)F 1 2.156 2 4 -15.90810469649 2415715 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC=CC=C2O)C)C 1 2.288 1 6 0 -6.97082008132505 2415684 C1CCN(CC1)C(=O)/C(=C\2/C3=CC=CC=C3C(=N2)N)/C#N 1 1.181 4 1 0 -6.69767143816961 2415668 C1=CC=C(C(=C1)/C=C/C(=O)OCC(=O)NCCC2=C(C=C(C=C2)Cl)Cl)Cl 1 5.11 1 3 -7.60031893665933 2415654 C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)N4CCCC5=CC=CC=C54 1 3.752 5 2 0 -24.6036429707951 2415647 CC1=CC(=C(C=C1)C)OCCC(=O)NC2=CC=C(C=C2)NC(=O)C 1 2.79 2 3 -7.87908960985261 2415645 CC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=CC=N2 1 3.148 3 1 -14.518785511433 2415608 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC4=C(C=C3N=C2Cl)OCCO4 1 2.1 4 5 0 -8.83281001356751 2415597 CN1CC(=O)N(C1=O)CC(=O)NCC2=CC3=C(C=C2)OCO3 1 -0.338 3 5 0 -16.8006152163436 2415595 CC1=CC(=CC(=C1)N2C(=CC(=N2)C)N)C 1 2.689 3 0 0.679822076160902 2415571 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.434 2 5 0 -11.2668775964695 2415562 C1=CC=C2C(=C1)C(=NN(C2=O)CCOC3=CC=CC=C3F)C(=O)O 1 2.653 2 4 -5.73533610798211 2415521 CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=NN2C3=CC=C(C=C3)O 1 3.214 4 3 0 -19.3622242366919 2415520 C1=C(C=C(C=C1[N+](=O)[O-])Cl)C(=O)NCC(=O)OCC(=O)N 1 0.157 3 6 0 -13.1421868930404 2415516 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=C(C=C3)OC(F)F 1 3.485 3 2 -2.83318866628751 2415488 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5 1 4.807 5 1 1.02158624130366 2415474 CC(=O)NC1=CC=C(C=C1)NC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 0.949 4 3 0 -14.173239348436 2415447 COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=CC(=C(C=C2)Br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l)Cl)C(=O)O 1 4.129 3 5 0 -8.62078531537219 2415234 CC1=NC=C(S1)CC(=O)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Cl)O 1 2.797 3 3 3.32956585756182 2415230 C1CCC2=NN=C(N2CC1)COC3=CC=C(C=C3)C#N 1 2.467 4 1 -9.98155439983655 2415229 C1CC2=NN=C(N2C1)C3=C(C4=CC=CC=C4S3)Cl 1 3.658 3 0 0.378770311480793 2415214 C1CCN(CC1)CC2=NC(=C3C4=C(CCC4)SC3=N2)NCCC5=CC=C(C=C5)S(=O)(=O)N 1 3.875 5 2 0 -10.9822201186698 2415195 CC1=CC=CC=C1OCCSC2=NN=C(N2C)C3=CC=NC=C3 1 3.376 4 1 -2.87156942175232 2415160 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C 1 4.669 2 4 -10.2740631580761 2415081 CN(CC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)CC4=NC(=O)C5=CC=CC=C5N4 1 3.357 3 3 -3.07001373206024 2415077 CCN(CC1=NC(=O)C2=C(N1)C=CS2)CC3=NC(=O)C4=CC=CC=C4N3 1 1.652 5 2 0 -5.08262442244778 2415046 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C 1 4.063 2 5 0 -23.1562656135589 2415029 C1=CSC(=C1)C(=O)NC2=NC(=CS2)C3=C(SC(=C3)Cl)Cl 1 4.092 2 1 -1.20995353818602 2415026 CC(C)(C)NC(=O)CSC1=N/C(=C/C2=CC=CO2)/C(=O)N1C3=CC(=C(C=C3)OC)Cl 1 4.019 3 4 0 -24.4593051887059 2415002 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NC4=CC=CC=C4C=C3 1 4.308 3 1 -5.56151203954715 2414996 C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)NC3=CC=CC=C3Br 1 2.28 2 4 -17.9628925958229 2414986 C1CCC2=NN=C(N2CC1)C3=C(C4=CC=CC=C4S3)Cl 1 4.571 3 0 -0.572366505985703 2414970 CC1=C(C=CC(=C1)Cl)OCC2=NN=C3N2CCCCC3 1 3.739 3 1 -3.55629399305106 2414965 COC1=CC2=C(C=C1)C(=C(S2)C3=NN=C4N3CCCCC4)Cl 1 4.554 3 1 -2.95595247587363 2414939 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)CC3=CC=CC=C3F 1 2.347 1 5 -14.3573214605171 2414928 C1=CC=C(C(=C1)C(=O)CSC2=NC=CC(=O)N2)Br 1 2.458 2 2 -8.64675326525983 2414907 CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C3=CC=C(S3)C 1 3.833 3 1 -5.97171542401704 2414873 C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(S3)Cl 1 3.652 2 1 3.0345209487745 2414862 CCCC(=O)NC1=NC2=C(S1)C3=C(C=C2)N=C(S3)C 1 3.043 3 1 -10.1435819937524 2414819 CC1=C(N=C(S1)NC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 2.837 4 3 0 -11.7491690845775 2414723 COC1=CC=CC=C1CNC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.749 2 5 0 -14.0890035439773 2414715 C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC(=O)NC(=O)N)Cl 1 2.136 2 4 -5.3019558504563 2414666 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3 1 0.943 3 7 0 -15.400167844329 2414649 C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl 1 4.082 3 4 0 -8.50234433798548 2414594 CC(C)CCN(CC(=O)NCC1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC=C2F 1 3.581 2 3 -21.4295196520908 2414589 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)N(CC)C3CCCCC3 1 3.082 8 1 0 -19.5265863578584 2414563 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)CNC(=O)C3=CC=CC=C3 1 2.325 3 4 0 -10.8501413763654 2414551 CC1=C(N2C=CC=CC2=C1C=NO)C(=O)C3=CC=C(C=C3)F 1 3.876 2 2 1.17078803324496 2414537 CCOC(=O)C1CCN(CC1)C(=O)CSC2=NNC(=O)NC2=O 1 -0.289 4 5 0 -26.0443428925595 2414499 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)OCC(=O)NC4=C(C=C(C=N4)C(F)(F)F)Cl 1 4.728 4 3 0 -3.62008478777186 2414494 COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC4=CC=CC=C43 1 4.838 3 2 -2.53291475025287 2414478 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC=CC=C3OC 1 3.908 3 4 0 -12.0206644052701 2414471 C1=CC=C(C=C1)CCC(=O)OCCOC(=O)CCC2=CC=CC=C2 1 4.171 0 4 -7.02722982890673 2414456 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C5=CC=C(C=C5)OC 1 5.431 4 1 5.04007503982783 2414455 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC 1 4.55 4 6 0 -13.7707021819819 2414409 COC1=NC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 2.755 3 4 0 -22.2801228315722 2414395 C1CC(=O)N(C1)CCCNC(=O)COC(=O)/C=C/C2=CC=C(O2)Br 1 0.892 2 5 0 -25.2278680757056 2414385 CC1=NC=C(S1)CC(=O)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)F)O 1 2.338 3 3 1.80262881756588 2414366 C1=CC=C(C=C1)CN2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)F)O 1 2.632 2 3 -2.73981149867397 2414358 COC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=CC=CC=C3 1 3.202 2 3 3.52604127551625 2414346 CC1=C(C(=CC=C1)NC(=S)NCC2=CC=NC=C2)C 1 3.917 3 0 -5.42128678001317 2414249 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)N4CCC(CC4)C(=O)N)C 1 4.283 4 3 0 -10.3457452348061 2414212 CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NC3=CC(=C(C=C3)C)Cl 1 4.226 3 4 0 -16.6277663353659 2414183 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 2.418 2 7 0 -6.44884072900696 2414087 CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CCl 1 2.107 2 2 -14.0109201175133 2414076 C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSCC(=O)O 1 2.096 2 3 -9.5230057513394 2414069 CC1=NC2=CC=CC=C2N=C1COC3=CC=C(C=C3)C#N 1 3.237 3 1 -1.25720616348542 2414064 COC1=NC=C(C=C1)NS(=O)(=O)C2=C(C=C(C=C2)F)F 1 2.1 2 3 -3.9417485215182 2414058 C1=CC=C(C=C1)CN2C(=CNC2=O)C3=CC=C(C=C3)Br 1 2.877 2 1 0.377332610773963 2414029 CC(C)CN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=CO3 1 4.033 2 2 -3.60904125606614 2413916 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC(=CC(=C3)C)C 1 3.657 2 3 -8.1802138931279 2413911 C1CCC(CC1)CNC(=O)CSC2=CC=CC=[N+]2[O-] 1 2.164 2 2 -12.3935608676905 2413900 COCCCNC(=O)COC(=O)C1=CC=C(S1)C2=NC3=CC=CC=C3S2 1 2.93 2 4 -12.6808970551699 2413853 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4)C 1 3.883 2 4 -7.28516166178056 2413817 CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C2=C3C(=C(SC3=NC=N2)C)C 1 4.58 4 1 -8.09339433685794 2413775 CCCNC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C 1 2.131 2 3 -11.7171825536433 2413762 CCN=C1N(C(=CS1)C)N=CC2=CSC=C2 1 2.432 3 0 -6.66789417399937 2413738 COC1=CC=CC=C1C(=O)NCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3 1 2.908 2 4 -10.1112511228061 2413727 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=CC=CC=[N+]2[O-] 1 1.263 2 6 0 -16.6926422510325 2413717 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CNC(=O)C3=CC=C(O3)Br 1 0.357 3 6 0 -22.151269933356 2413704 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=CC=CC=[N+]4[O-] 1 3.039 2 4 -14.9878555001146 2413701 C1=CC=[N+](C(=C1)SCC(=O)C2=C(C=CC(=C2)Cl)Cl)[O-] 1 3.5 1 2 -1.45077236911339 2413699 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=CO3 1 2.644 2 5 0 -3.02343463554476 2413673 CCCNC(=O)COC(=O)/C=C/C1=CC(=CC=C1)F 1 2.291 1 3 -8.90892377054188 2413660 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=CC=CC(=C3)C#N 1 2.376 4 1 -4.17812690542516 2413640 C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)/C=C/C2=CC(=CC=C2)F 1 2.252 2 4 -8.10749139290216 2413625 C=CCNC(=O)COC(=O)/C=C/C1=CC=CS1 1 1.783 1 3 0 -14.0325363584024 2413592 C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)C2=CC(=CC=C2)Cl 1 1.479 2 5 0 -20.0929865639209 2413590 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl 1 4.91 2 4 -0.307599697489421 2413584 CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 3.811 3 2 -13.7507619721512 2413553 COC1=CC=CC=C1/C=C/C(=O)OCC(=O)NNC(=O)C2=CC=CC=C2 1 2.03 2 5 0 -11.1567953543708 2413551 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)/C=C/C2=CC(=CC=C2)Cl)C)C 1 3.662 1 5 -4.02043428640747 2413547 CC(C)NC(=O)NC(=O)COC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC 1 1.67 2 7 0 -15.191779121439 2413544 C1=CC(=CC(=C1)Cl)/C=C/C(=O)OCC(=O)NCCC2=C(C=C(C=C2)Cl)Cl 1 5.11 1 3 -7.50219779621544 2413481 C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)/C=C/C2=CC=CO2 1 0.677 2 6 0 -19.7287815363116 2413462 COC1=CC=CC(=C1O)C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 2.976 1 5 -2.87127202164173 2413446 COC1=CC(=C(C=C1)NC(=O)COC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3)OC 1 3.842 1 5 -9.72471539248048 2413375 CNC(=O)COC(=O)/C=C/C1=CC(=CC=C1)F 1 1.418 1 3 0 -5.19117039280858 2413361 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=C[N+](=CC=C3)[O-] 1 -0.661 3 5 0 -18.8543642504427 2413343 CCOC1=CC=CC=C1OCCC(=O)OCC(=O)C2=CC=CN2 1 2.742 1 5 -10.8831238667896 2413323 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)CC2=CC=CC=C2 1 2.675 2 2 -13.1498523887888 2413312 C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)N 1 1.232 5 2 0 -20.2174277607178 2413310 CC1=CC(=C(C=C1)C)NC(=O)CC2=COC3=CC4=C(CCC4)C=C32 1 4.982 1 2 -9.45753838221177 2413297 C1CC1C2=NN=C(S2)NC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4 1 3.353 3 2 -7.92081516537245 2413278 CN(CC(=O)NC1=CC=CC=C1N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.097 3 4 0 -10.0284334522995 2413255 CN(C)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.002 2 3 -8.11610195203035 2413212 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)NC(=O)CC4=CC=CS4 1 4.043 3 1 -3.46909971802276 2413193 CC(C)CN(C1=NC2=CC=CC=C2S1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C 1 3.993 4 2 -6.14515905784673 2413185 CCN(C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CS2)C(C)C 1 3.512 2 3 -14.0839855646925 2413170 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CC(=O)NC4=CC=CC=C43 1 -0.332 4 7 0 -35.0832943366905 2413169 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)O 1 5.314 1 5 -1.80999816385094 2413168 CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCC(=O)N)C)C 1 1.984 3 3 0 -20.097633515908 2413152 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F 1 2.854 3 4 0 -8.7525221363961 2413150 CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)C2=CC=CS2 1 3.674 1 2 -8.61639748861833 2413133 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)NCC2=CC=C(C=C2)OC 1 4.089 1 3 -8.77613816491078 2413124 CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3)Cl 1 4.772 2 4 -3.80758446903162 2413117 C=CCNC(=O)/C=C/C1=CC=CS1 1 2.076 1 1 -11.6284569695721 2413072 CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.651 4 4 0 -21.0312757323637 2413037 CCN(C1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=CS2)C(C)C 1 3.98 2 3 -11.6199926495744 2413013 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC(=O)NC3=NC=CS3 1 0.701 3 4 0 -15.7880409135151 2412986 CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=NN3C(=CC(=NC3=N2)C)C)OCC 1 2.392 5 5 0 -24.376509273221 2412953 CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)NCCN3C(=O)CSC3=O)C4=CC=CC=C4)C 1 4.087 5 3 0 -22.1396241748902 2412921 CC(C)(C)NC(=O)COC(=O)C1=CC=CC=C1NC2=CC=C(C=C2)SC(F)F 1 4.59 2 3 -14.6312210424071 2412900 CCCNC(=O)COC(=O)C1=C(C=CC(=C1)SC)Cl 1 2.823 1 3 -11.245737688267 2412869 CC(=O)NCC(=O)OCC(=O)NC1=NC(=CS1)C2=CC=CC=C2 1 0.661 3 4 0 -8.50514671908764 2412858 C1=CC=C(C=C1)CNC(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4 1 3.675 3 4 0 -20.9475782857828 2412846 C1=CC=C2C(=C1)C(=NC=N2)SCC3=CC(=CC=C3)[N+](=O)[O-] 1 3.947 3 2 -5.23029026601923 2412845 CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C(=O)NC4=CC=C(C=C4)NC(=O)C 1 2.672 4 3 0 -18.9215205839471 2412843 CC1=CC(=C(C=C1)C)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3 1 3.734 2 3 -16.3031105251616 2412841 CC1=C(C(=NO1)C)COC(=O)CCCC2=CNC3=CC=CC=C32 1 3.391 2 3 -17.1842110434221 2412823 CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 1 1.331 5 3 0 -14.0081235343546 2412772 CN1CC(=O)N(C1=O)CCOC2=CC=CC=C2 1 0.883 2 3 0 -5.83079094419454 2412727 CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 2.871 3 4 0 -21.3799054947574 2412682 C1=CC=C(C(=C1)C(=O)COC(=O)C2=CC=CC=N2)Br 1 2.967 1 3 -8.73673111446077 2412680 CCOC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=CC=C2Br 1 3.41 1 4 -11.07948890241 2412675 C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=C(C=CC(=C3)O)N 1 4.143 1 4 -2.69841973093541 2412621 CC1=C(C(=C(C=C1)Cl)NC(=O)COC(=O)CNS(=O)(=O)/C=C/C2=CC=CC=C2)Cl 1 2.841 2 5 0 -3.02566494208586 2412605 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3 1 2.09 2 7 0 -13.6835068753019 2412587 CC1=CC=C(O1)P(=S)(C2=CC=C(O2)C)N3CCOCC3 1 1.882 1 3 0 -1.80768161270748 2412563 CC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=CNC(=O)C=C3)C 1 3.559 1 3 -2.08743064191074 2412560 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3=CC=CC=N3 1 2.037 2 4 -15.2814002841532 2412556 CCC1=CC=CC(=C1NC(=O)COC(=O)CNS(=O)(=O)/C=C/C2=CC=CC=C2)C 1 2.455 2 5 0 -7.34695909091308 2412545 CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NC3=CC=CC4=CC=CC=C43 1 3.984 3 4 0 -18.2043829413933 2412507 CC1=CC=C(C=C1)CN2C=CSC2=NC(=O)CCl 1 2.649 2 1 -6.42920693461186 2412504 C1=CC(=C(C=C1Cl)Cl)CN2C=CSC2=NC(=O)CCl 1 3.491 2 1 -5.28200803733058 2412498 C=CCN1C(=NNC1=S)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.523 4 3 0 -22.8112124666404 2412452 CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=NC3=CC=CC=C32)C 1 3.379 3 3 -16.3633508255545 2412448 CC1=CC(=CC=C1)NC(=S)NC2=CC=CC3=CC=CC=C32 1 5.761 2 0 -3.27653896440405 2412434 C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.81 4 3 0 -12.3741261072809 2412419 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC=CC=C3Br 1 3.433 2 3 -7.31628078167499 2412414 C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)SC(F)F)NS(=O)(=O)C4=CC(=C(C=C4)F)F 1 5.502 3 3 -5.13529162557915 2412397 CC1=C(SC2=C1C(=NC(=N2)CN3CCCCC3)Cl)C 1 3.496 3 0 1.27771497386231 2412394 C1CCN(CC1)CC2=NC3=C(C4=C(S3)CCCC4)C(=N2)Cl 1 4.248 3 0 -3.14729634659844 2412349 CCSC1=NC=NC2=C1C3=C(S2)CCC3 1 3.468 2 0 -10.5827991722958 2412347 CC1=CC=C(O1)C2=NN(C=C2C(=O)N)C3=CC=CC=C3 1 2.546 3 2 8.5664104902146 2412324 CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NCC2=CC=CC=C2)C(=O)O 1 2.373 1 6 0 -9.2783385415416 2412317 C1=CC2=C(C=C1C(=O)NN)S(=O)(=O)NNC2=O 1 -1.746 4 4 0 -7.52089314478621 2412175 CC1=C(C=CC(=C1)NC(=O)CN2C(=O)C=C3CCCCC3=N2)Br 1 3.048 3 2 -9.29309913372855 2412176 COC1=CC=C(C=C1)C(=O)CNC2=CC(=CC=C2)F 1 3.083 1 2 -1.965631663703 2412274 C1CC2=C(C1)SC3=NC=NC(=C23)N4CCN(CC4)C5=CC=C(C=C5)O 1 4.127 4 1 0.682557472685014 2412255 CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C)OCO2 1 1.197 3 6 0 -24.2381935715019 2412197 COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCOCC3 1 1.785 3 4 0 -19.8839140245601 2412239 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=C(C=CC(=C3)F)F 1 2.157 2 3 -8.24503925589696 2412237 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 4.755 3 1 4.90155506728069 2412223 C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 3.234 1 4 -12.3679925662451 2412142 CC1=CC=CC=C1NC(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.685 2 4 -10.9326718993154 2412135 COC1=CC=CC=C1NC(=O)COC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3 1 2.12 2 5 0 -18.5330370224614 2412102 CN(CCC#N)C(=O)COC(=O)[C@H](CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 1.854 3 5 0 -18.3760063498253 2412097 CN1C=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2 1 2.097 3 3 -13.3312417833516 2412068 COC(=O)C1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl 1 4.117 2 3 -4.64723994897461 2412067 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=CC=C(C=C3)CC(=O)O 1 2.89 1 4 -4.88007645276025 2412057 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3=CC=NC=C3 1 1.822 2 4 0 -13.6006511414814 2412045 COC(=O)C1CCN(CC1)C(=O)C2=CC(=O)NC3=CC=CC=C32 1 0.954 2 4 0 -12.2724001641839 2412017 CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.272 2 5 0 -12.8978176869875 2412015 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C 1 2.586 2 4 -12.0166251789217 2412005 CC(C)(C)C(=O)COC(=O)C1=CC2=CC=CC=C2C=C1O 1 3.48 0 4 -4.81087015178712 2411991 CC(C)NC(=O)NC(=O)COC(=O)C1=C(C=C(C=C1)F)F 1 1.662 2 4 0 -11.5364723105038 2411979 CC(C)(C)NC(=O)COC(=O)C1=CC(=CN=C1)Br 1 1.274 2 3 0 -15.2499334047137 2411949 CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=S)NC(=O)C3=CC=CS3 1 4.769 2 4 -10.7504365417425 2411948 CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=S)NC(=O)C3=CC=C(C=C3)F 1 5.021 2 4 -9.63870278389252 2411944 CC(C)NC(=O)CSC1=N/C(=C\C2=CC(=C(C=C2)Cl)Cl)/C(=O)N1C3=CC=CC=C3F 1 5.305 3 2 -23.3529639501065 2411910 C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=CS2)C#N)NC(=O)N 1 0.897 4 4 0 -14.9522617487959 2411894 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CC=C3 1 3.435 1 5 -15.5650627642281 2411866 CC(C)CC(=O)NC1=CC=CC=C1N2CCOCC2 1 2.175 2 2 -10.2042003534863 2411863 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.382 4 6 0 -17.2277119574996 2411856 CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CC 1 2.525 2 2 -10.6503274506894 2411815 C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)O 1 1.693 2 6 0 -10.3672899721891 2411796 C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)C2=C(C(=CC=C2)Cl)Cl 1 2.143 2 5 0 -21.0365244035134 2411794 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=CC=CC=[N+]3[O-] 1 3.194 2 4 -8.59679723656299 2411780 COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.866 2 8 0 -13.9014361910391 2411779 CC(C)(C)NC(=O)NC(=O)COC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 2.716 2 5 0 -13.8342595887343 2411768 CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)C#N 1 3.471 3 4 0 -17.528567995314 2411748 CC(C)CNC(=O)COC(=O)C1=C(C=CC(=C1)SC)Cl 1 3.143 1 3 -10.1891861844763 2411726 COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 4.361 2 7 0 -19.287087719478 2411708 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)N 1 3.858 2 3 -13.4813668733829 2411706 C1CC1N2C(=NN=C2SCC(=O)NC3=C(N=CC=C3)Cl)C4=CC=CC=C4F 1 3.463 5 1 -13.7382957341612 2411698 CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 3.694 2 5 0 -3.26329524589329 2411627 CC(C)NC(=O)COC(=O)C1=CC(=CN=C1)Br 1 1.069 2 3 0 -16.6842247908099 2411589 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=C(C=CC(=C2Cl)Cl)Cl 1 4.101 2 4 -11.0437446491758 2411576 CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC 1 3.6 1 4 -11.2486839471599 2411552 C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.143 2 5 0 -19.8014641412527 2411550 C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)C2=CC(=CC(=C2)Cl)Cl 1 2.143 2 5 0 -19.7916340670744 2411546 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=C3SCC(=O)NCC=C)C4=CC=CC=C4Cl 1 3.418 6 2 0 -25.208272362168 2411510 COC1=CC=C(C=C1)CNC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Br 1 3.528 1 4 -7.28998141328631 2411498 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NN=NN2C3=CC=CC=C3C 1 4.227 5 4 0 -23.08966472015 2411489 C1=CC=C(C=C1)CCNCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.358 3 3 0 -12.1008564523745 2411475 CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(=O)NC(C)(C)C 1 3.346 2 5 0 -16.1118279192409 2411471 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 4.542 2 2 0.694903859858247 2411458 CC(C)C1=NN=C(N1N)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.717 6 3 0 -18.063575580293 2411456 C1=CC(=CN=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl 1 1.468 2 4 0 -8.03237146214577 2411429 CC1=CC=C(C=C1)C(=O)COC(=O)C2CCC2 1 2.977 0 3 -7.43724941366792 2411396 CCN1C(=NN=C1SCC(=O)NC(C)(C)C)CC2=CC=CS2 1 2.736 4 1 -22.7056727943876 2411392 C1=C(C=C(C(=C1F)NC(=O)CSC2=NC=NN2)Br)F 1 2.469 4 1 -11.1380998974409 2411364 CC1=CC(=NC(=N1)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3)C 1 1.28 5 1 0 -9.1065554031859 2411312 CC1=CC(=NC2=NN=C(N12)SCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl)C 1 3.5 6 1 0 -10.7502523790099 2411261 C1=CC=C(C(=C1)NC(=O)COC(=O)CNC(=O)C2=CC=CO2)OC(F)F 1 1.582 2 6 0 -15.2153171202553 2411257 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)C)C5=CN=CC=C5 1 5.266 4 3 0 -9.52812565480853 2411243 CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C 1 4.186 5 3 0 -10.0619927720318 2411226 CNC(=O)CSC1=NN=C2N1C3=CC=CC=C3C(=O)N2CC=C 1 1.438 5 2 0 -23.052423819726 2411221 CC(C)NC(=O)CSC1=NN=C2N1C3=CC=CC=C3C(=O)N2CC=C 1 2.165 5 2 0 -28.9155352016457 2411198 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CC=CC=C3)C)C 1 3.689 2 7 0 -14.7782291701799 2411191 CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=NN=C(O3)C4=CC(=C(C(=C4)OC)OC)OC 1 3.659 5 5 0 -13.7801512141717 2411158 CCCC1=CC(=O)N=C(N1)SCCOC2=CC=C(C=C2)OCC 1 3.912 2 3 -11.5410975786919 2411157 CN1C=CC=C1C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32 1 0.925 3 4 0 -16.1709239845382 2411115 C1CN(CCN1C(=O)COC(=O)C2=CC=CC=C2O)C(=O)C3=CC=CO3 1 0.985 2 6 0 -8.43590475296197 2411102 CN1CC(=O)N(C1=O)CC(=O)N2CCC(CC2)CC3=CC=CC=C3 1 1.174 3 3 0 -8.79224867754989 2411091 CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2Cl)O 1 3.23 1 4 -4.38120482235745 2411063 C1=CC=C2C(=C1)C(=NN(C2=O)CCOC3=CC(=CC=C3)Br)C(=O)O 1 3.196 2 4 -4.92849031463595 2411038 C1CC(=O)N(C1)CCCNC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O 1 0.885 2 6 0 -24.3454355265728 2411025 COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=C(N=CC=C2)Cl 1 2.631 1 5 -8.414228627794 2411018 CC1=NN(C(=C1)N)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(C)C 1 4.013 3 2 -6.57282742658312 2411017 CC(=O)NC1=CC=CC=C1OCC(=O)NCCC2=CCCCC2 1 2.321 2 3 -17.8961835372561 2411008 CCC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)N 1 3.762 3 2 -7.09572525901384 2410981 CC1=C(C=C(C=C1)S(=O)(=O)N(CCC(=O)O)C2=CC=C(C=C2)OC)C 1 3.209 1 5 -12.4766586371534 2410974 CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)N 1 3.305 3 2 -7.04458371756856 2410954 CCOC(=O)C1CCN(CC1)C(=O)C2=C(N=CC=C2)Cl 1 1.643 2 3 0 -7.85523630590605 2410952 C=CCN(C1=CC=CC=C1Cl)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3)Cl 1 4.344 2 3 -18.9911432106948 2410937 C1=CC=C(C=C1)N(C2=CC=CC=C2)NC(=O)CSC3=CC=CC=[N+]3[O-] 1 3.357 3 2 -9.63563108414136 2410929 C1CCC(CC1)CNC(=O)CSC2=NNC(=O)NC2=O 1 1.017 4 3 0 -25.6356841801348 2410928 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N 1 1.104 3 5 0 -22.740328079171 2410912 COC1=C(C=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)CCCN4CCCC4=O)N)OC 1 1.488 4 4 0 -16.4411284346651 2410901 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)C3=CC4=CC=CC=C4O3 1 3.788 1 7 0 -5.02966771722549 2410811 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)CCCC3 1 5.081 3 1 -8.40416718377502 2410809 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(=S)N(CC3=CC=CC=C3)C(C)C 1 4.048 3 4 0 -25.3593197176651 2410803 C1=CSC(=C1)/C=C/C(=O)OCC(=O)NC(=O)N 1 0.74 2 4 0 -8.51935848653884 2410789 CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.83 3 5 0 -28.4580030880525 2410785 CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)O 1 1.271 2 6 0 -10.0522651276235 2410779 CC1=CC(=NC2=NC(=NN12)C(=O)OCCOC3=CC=C(C=C3)F)C 1 2.6 4 3 0 -11.2227059479249 2410771 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)N(CC(C)C)CC(C)C 1 2.129 5 3 0 -19.5612390462987 2410760 CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=C(C(=CC=C2)Cl)C)O 1 3.716 1 4 -3.31422667298382 2410746 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2Cl 1 2.314 4 3 0 -6.32669264137691 2410738 CC1=C(SC=C1)C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32 1 1.773 2 4 0 -18.4760898546194 2410724 COC1=CC=C(C=C1)CNC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.221 1 5 -19.4511554264067 2410719 CCN(CC)C1=NC2=CC=CC=C2NC1=O 1 1.215 3 1 0 -9.04125418292723 2410717 CCCN(CCC)C1=NC2=CC=CC=C2NC1=O 1 2.262 3 1 -9.6150711044499 2410712 CC1=CC=C(C=C1)CNC(=O)CSC2=NNC(=N2)N 1 1.577 5 1 0 -11.5601808588943 2410711 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2Cl 1 3.527 3 3 -2.76790497326212 2410685 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=CC=C3NCC4=CC=CO4 1 1.908 3 5 0 -18.177925025308 2410681 CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC(=O)C3=CC=C(S3)Br)C 1 5.05 3 1 -6.98010414509606 2410672 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32)C 1 1.555 3 6 0 -20.2159358016655 2410660 CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CN2C=NC3=CC=CC=C3C2=O 1 2.443 3 4 0 -10.1174245150157 2410623 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N 1 3.641 3 5 0 -32.9580817102984 2410622 CC1=CC=NC2=NC(=NN12)C(=O)OCCOC3=CC(=CC=C3)Br 1 2.86 4 3 0 -11.163258694792 2410616 CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3Cl)OC 1 3.675 2 6 0 -22.9544368933809 2410608 CC1=C(C(=CC=C1)C)NC2=NN=C(S2)SCC(=O)C3=CC=C(S3)Br 1 5.05 3 1 -12.4813301744235 2410597 C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)Br 1 3.69 2 5 0 -8.96339438482679 2410531 C1=CC2=NN=C(N2C=C1)SCC3=CC=C(C=C3)Br 1 4.02 3 0 -9.55011179246515 2410490 CC1=CC=CC=C1NC2=NN=C(S2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4 1 3.852 4 4 0 -10.3844562508002 2410452 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C(C)C 1 2.845 1 3 -5.57330014291537 2410443 CC(C)(C)NC(=O)NC(=O)CSC1=NC=NN1 1 0.444 5 2 0 -17.8377423348366 2410418 C1C2CC3CC1CC(C2)(C3)CC(=O)OCC(=O)NC(=O)N 1 1.245 2 4 0 -7.51861225248219 2410410 CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=C(N2N)C3CC3)C 1 2.281 5 3 0 -15.2583217901541 2410395 C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)Cl 1 1.947 2 5 0 -17.2421881302626 2410384 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=CC=CC=C2Cl 1 2.773 2 4 -11.1839813429361 2410369 CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC=NN2 1 2.454 4 1 -12.3031366011899 2410358 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3 1 2.858 2 6 0 -17.7216743782632 2410351 CCC1=C(C=CC(=C1)SC#N)N 1 2.499 2 0 2.08115282471236 2410341 CC1=CC=C(C=C1)OCCNC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.539 2 3 -13.0264233479843 2410322 CC1=CC=C(C=C1)CNC(=O)CSC2=NC=NN2 1 1.803 4 1 0 -16.2444785365851 2410320 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Br 1 2.711 1 5 -11.9625138426707 2410272 CN=C1N(C(=O)/C(=C/C2=CC=C(C=C2)SC)/S1)C 1 2.95 2 1 -1.8628725580133 2410263 C1=CC=C(C=C1)C(=O)NCC(=O)NCC2=CC=C(C=C2)Cl 1 2.345 2 2 -12.1334856688852 2410253 CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.994 4 4 0 -27.750986477435 2410243 CN=C1N(C(=O)/C(=C/C2=CC=C(C=C2)Cl)/S1)C 1 3.073 2 1 -2.24599080789629 2410232 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCSC2=CC=C(C=C2)Br 1 3.093 2 3 -10.7976596051056 2410217 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=CC=C3O 1 1.092 2 5 0 -13.1596423741203 2410199 COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=O)NC4=CC=CC=C43 1 2.461 3 4 0 -17.8163085380102 2410186 CCCCN1C2=NC=C(C=C2C(=O)N(C1=O)C)C(=O)C3=C(C=CC(=C3)OC)O 1 2.839 3 5 0 -9.02812581491387 2410150 CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)C2=NN=C3N2CCCCC3 1 2.691 4 3 0 -10.1266329292923 2410132 C1=CC=C2C=C(C=CC2=C1)SCC(=O)OCC(=O)NC3=CC=CC=C3OC(F)F 1 4.429 1 4 -9.23590212865865 2410123 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.28 2 6 0 -10.377936786333 2410119 C1=CC(=CC=C1CC2=NNC(=S)N2N=CC3=CC=C(C=C3)OC(F)F)Br 1 5.336 4 1 -2.68505759053294 2410091 CC1=C(C(=NO1)C)CSC2=NC=NC3=CC=CC=C32 1 2.934 3 1 -7.91367428888343 2410071 C1COCCN1/C(=C\C#N)/C2=CC=C(C=C2)F 1 1.84 2 1 0 -4.36727021688369 2410032 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4 1 3.414 2 5 0 -20.6465441349974 2410031 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NC(=O)NC(C)C 1 0.706 3 6 0 -18.6912041409973 2409982 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)N 1 1.522 4 3 0 -12.703564544053 2410001 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)N 1 2.026 3 4 0 -7.82013439183542 2409986 CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)C3=CC=CC=C3O 1 3.613 1 4 -10.1453731744054 2409896 CC1=C(C(=NO1)C)COC(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.283 1 3 -7.53020777824375 2409878 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)Cl 1 3.748 5 1 -12.2504493256261 2409770 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 2.908 4 2 -10.482612640285 2409755 C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)SC(F)F)Cl 1 4.677 1 1 -3.64816074257554 2409748 CC(C)(C)NC(=O)NC(=O)COC(=O)CCCC1=CNC2=CC=CC=C21 1 2.697 3 4 0 -19.4465588093557 2409747 CC(C)NC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)OC)OC 1 1.218 2 6 0 -20.1503595988472 2409735 CN(CC(=O)NCC1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.859 2 3 -11.5440670281847 2409706 CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCN3C(=O)/C(=C/C4=CN=CC=C4)/SC3=O 1 2.215 4 5 0 -15.746194462924 2409691 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C 1 2.714 2 5 0 -12.2749605692157 2409686 C1CCC(CC1)CCC(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F 1 4.291 1 4 -8.9166553138642 2409677 C1=CC=C(C=C1)CCC(=O)NC2=NC3=C(C=C(C=C3S2)F)F 1 4.142 2 1 -4.89442225571899 2409666 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 4.388 2 4 -9.07691106843525 2409596 CC(C)NC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)OC(F)F 1 2.056 2 5 0 -14.5238262123018 2409608 C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4=CC=CC=C4 1 3.634 4 2 -17.4544790243771 2409610 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C 1 3.637 5 4 0 -30.9630874889015 2409642 CC(C)(C)NC(=O)NC(=O)COC(=O)CCOC1=CC=C(C=C1)OC 1 1.523 2 6 0 -15.4563901050014 2409636 CCNC(=O)CSC1=NN=C2N1C3=CC=CC=C3C(=O)N2CC=C 1 1.787 5 2 0 -24.2407630504918 2409531 COC1=CC2=C(C=C1)OC(=O)C(=C2)N3C(=O)C4=CC=CC=C4C3=O 1 2.196 1 5 -2.09712386102828 2409525 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC3=CC(=C(C=C3)OC(F)F)Cl 1 5.027 1 2 -2.91958127687825 2409521 CC1=CC=NC2=NC(=NN12)C(=O)NC3=NC(=C(S3)C)C4=CC=C(C=C4)OC 1 2.482 6 2 0 -10.9835900696776 2409476 C1=CC=C2C(=C1)C=CC=C2C3=CSC(=N3)NC(=O)C4=NC=CN=C4 1 2.594 4 1 -1.35083244751835 2409473 CCC(CC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2 1 2.187 2 3 -15.9123021883185 2409427 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O 1 3.55 2 4 -0.125704328415622 2409383 C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)OC(F)F 1 2.803 2 7 0 -12.2536169190024 2409362 C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)OC(F)F)NC(=O)N 1 0.796 3 5 0 -10.1446785635746 2409351 C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)Cl 1 1.329 4 6 0 -24.2175213889648 2409339 CC1=CC=C(S1)C(=O)NCC(=O)OCC(=O)NC2=CC=CC=C2C#N 1 1.359 3 4 0 -16.1155544130673 2409321 CNC(=O)CSC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.627 2 2 -2.74188085205691 2409301 C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.338 3 5 0 -21.6473583745356 2409296 CC1=CC(=CC(=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CO2)C 1 3.369 2 3 -16.8205967571267 2409292 CCC(CC)NC(=O)CCC1=NC(=O)C2=CC=CC=C2N1 1 2.026 3 2 -16.3294443387949 2409282 CC1=CC(=C(C=C1)C)C(=O)CSC2=CC=C(C=C2)NC(=O)C 1 3.72 1 2 -3.74328289128327 2409267 C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCC4=C(C=CC=C4Cl)F 1 5.107 4 0 -10.4112570376361 2409212 CC1=C(SC2=C1C(=O)NC(=N2)CC(=O)N3CCCC3)C 1 1.303 3 2 0 -13.5957802616808 2409154 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NNC(=O)COC3=CC=C(C=C3)Br 1 1.924 3 6 0 -24.3548791138417 2409153 C1=CC(=CC=C1C#N)C(=O)NN2C=NN=C2 1 0.112 5 1 0 -8.49339183651279 2409147 CC1=CC(=O)N=C(N1)SCC2=C(C=CC(=C2)Cl)OC(F)F 1 4.021 2 2 -11.2230074185574 2409144 CCCC1=CC(=O)N=C(N1)SCC2=C(C=CC(=C2)Cl)OC(F)F 1 5.001 2 2 -8.66811175834944 2409140 C1CN(CCC1C(=O)N)C(=O)CNC(=O)C2=CC=CC=C2 1 -0.222 3 3 0 -12.2901147154215 2409129 CC(=O)NC1=CC(=CC=C1)OCC(=O)/C=C\2/C(C3=CC=CC=C3N2C)(C)C 1 3.175 2 3 2.58453727415314 2409116 CCCCN1C2=C(C(=CC(=N2)C3=CC=C(C=C3)OC(F)F)C(=O)OCC)C(=O)NC1=O 1 4.444 3 5 0 -6.35747620576735 2409060 CN(C1CCCCC1)C2=NC3=CC=CC=C3NC2=O 1 2.375 3 1 -9.75893536174278 2409059 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC)C 1 4.656 6 3 0 -13.0552506064692 2409057 CCOC(=O)C1=CC(=NC2=C1C(=O)NC(=O)N2C)C3=CC=C(C=C3)OC(F)F 1 3.115 3 5 0 -4.78485843889306 2409018 C1CC(=O)N(C1)CCCNS(=O)(=O)C2=C(C=C(C=C2)F)F 1 0.868 2 3 0 -18.0816294277162 2408978 C1=CC=C2C(=C1)N=C(C(=N2)Cl)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.942 3 2 -1.22337666692458 2408944 COCCCNC1=NC2=CC=CC=C2NC1=O 1 0.243 3 2 0 -10.5918838670369 2408930 CC1=CC(=NO1)NC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.265 3 6 0 -20.4015254838065 2408873 CCOC(=O)CC1=CSC(=N1)NC(=O)/C=C/C2=CC(=CC=C2)Br 1 3.495 2 3 -7.22459437347828 2408865 C1COCCN1CCCNC(=S)NC2=CC=C(C=C2)OC(F)(F)F 1 4.52 3 2 -7.93755161431519 2408861 COC1=CC(=C(C=C1)NC(=O)C2=C3CN(CCC3=NC4=CC=CC=C42)CC5=CC=CC=C5)OC 1 4.642 3 3 -7.20120758097913 2408857 CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NN=C4N3CCC4)C5=CC=CC=C5 1 4.334 6 0 -10.034779129059 2408847 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3 1 2.522 2 3 -11.4257031862582 2408836 CC1=NN(C(=C1)NC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl 1 5.342 3 0 3.99686301593366 2408835 CC1CCC(CC1)NC(=O)CC2=CC=CC=C2OC 1 3.166 1 2 -12.5554137704729 2408834 CC1=CC=C(C=C1)NC2=CC(=NN2C3=NC(=CC(=N3)C)C)C 1 3.807 5 0 -2.78831594010374 2408827 COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.846 2 5 0 -15.8464011429687 2408810 CCC1=CC=C(C=C1)NC(=O)COC(=O)CN2C=NC3=CC=CC=C32 1 2.837 3 3 -10.5779389309983 2408775 C1=CC=C(C(=C1)COC2=CC=CC=C2C3=NN=CO3)Cl 1 3.36 2 2 6.06670673502837e-002 2408768 COC1=CC2=C(C=C1)C(=C(S2)C3=NN=CO3)Cl 1 2.93 2 2 0.883056778294216 2408767 CC1=CC=C(N1C2=CC=C(C=C2)C3=NN=CO3)C 1 2.296 3 1 -0.464709488507637 2408766 C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C4=NN=CO4 1 3.311 4 1 -1.8233799562945 2408764 C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C4=NN=CO4 1 3.879 3 1 -1.66866969219692 2408761 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN=CO3 1 -6.7e-002 3 4 0 -13.5966447776336 2408760 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=CO3 1 0.707 3 3 0 -11.2839935420158 2408758 C1=CC=C(C=C1)OCCOC2=CC=CC=C2C3=NN=CO3 1 2.744 2 3 -0.620929830793109 2408757 CC1CCC(CC1)NC(=O)CCC2=CC=C(C=C2)OC 1 3.622 1 2 -12.4087739102625 2408707 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 2.119 3 3 -12.0301278221364 2408679 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)CN3C=NC4=CC=CC=C43 1 2.631 3 3 -13.7495702634243 2408673 C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CN3C=NC4=CC=CC=C43 1 2.182 3 3 -15.1736940519873 2408666 C1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CSC3=NNC(=N3)N)C4=CC=CC=C4 1 3.519 6 2 0 -6.30106883081305 2408654 CN1C=NN=C1SCC(=O)NC2=C(C(=C(O2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C#N 1 3.522 5 4 0 -16.5771570700823 2408640 CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)COC(=O)C3=C(C=CC=C3F)F)C 1 3.38 2 5 0 -16.3391057761093 2408631 C1=CC=C(C(=C1)C2=NC(=C(O2)NCCC3=CC=CC=N3)C#N)F 1 2.994 4 1 -2.55242135439927 2408627 C1=CC=NC(=C1)CCNC2=C(N=C(O2)C3=CC=C(C=C3)Cl)C#N 1 3.453 4 1 1.22444935683238 2408611 COC1=CC=C(C=C1)C2=NC(=C(O2)N3CCC(CC3)C(=O)N)C#N 1 1.704 4 3 0 -1.26951436068949 2408610 C1CN(CCC1C(=O)N)C2=C(N=C(O2)C3=CC=C(C=C3)F)C#N 1 1.926 4 2 0 -0.144671126080101 2408608 C1=CC(=CN=C1)NC(=S)NN=CC2=CC=C(C=C2)F 1 3.14 4 0 -4.98388052407016 2408602 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)NC3=CC=C(C=C3)F 1 2.035 3 2 -10.2714445862175 2408600 C1=CC(=CN=C1)CN(CCC#N)C(=S)NC(=O)C2=CC=CO2 1 2.254 4 2 -14.1498989184234 2408596 C1CN(CCN1C2=CC=C(C=C2)O)C(=S)NC(=O)C3=CC=CS3 1 3.788 3 2 -6.36953813601947 2408586 CCOC(=O)C1=CC(=NN1)C2=CC3=CC=CC=C3O2 1 3.311 2 3 2.7483066584017 2408560 CCC1=NN=C(S1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC 1 2.217 5 4 0 -36.1305060227513 2408550 CC1=CC=C(C=C1)C2=NC(=C(O2)N3CCC(CC3)C(=O)N)C#N 1 2.207 4 2 -0.856548151545352 2408495 CC1=CC=C(C=C1)NC2=NC(=CS2)CSC3=NN=C(N3C4=CC=CC=C4C)C5=CN=CC=C5 1 5.515 6 0 -2.44831190211509 2408490 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=N3 1 2.972 3 1 -5.64563363526098 2408485 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2CCCC2 1 1.828 2 5 0 -8.73164687451588 2408467 CC1=CC=C(C=C1)NC2=CC(=NN2C3=NC(=O)C=C(N3)C)C 1 3.096 5 1 -10.941615270503 2408458 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=NN3C)C 1 1.046 6 3 0 -28.9667071948579 2408457 C1=CC(=CC=C1NC(=O)COC2=C3C=CSC3=NC=N2)S(=O)(=O)N 1 0.976 4 4 0 -12.879899481019 2408456 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5 1 2.931 4 3 0 -5.36897353637739 2408452 CNC(=O)COC1=C2C(=CSC2=NC=N1)C3=CC=C(C=C3)F 1 2.418 3 2 -4.37630713978567 2408451 C1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CSC3=CC=CC=N3)C4=CC=CC=C4 1 4.832 3 2 -8.60604512950045 2408437 CC1=NC(=NC=C1)N2C(=O)C3=CC=CC=C3S2 1 2.182 3 1 -1.38391372856932 2408433 COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=C(C4=C(S3)CCCCC4)C#N 1 5.149 4 6 0 -24.9641547703448 2408429 CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CN=CC=C3)C(=O)N4CCOCC4)C 1 3.218 4 2 -5.12817615560706 2408422 C1=CC=C(C(=C1)N(CCC#N)C(=S)NC(=O)C2=CC=CO2)F 1 3.699 3 2 -13.9108700902004 2408412 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC(=S)NC3=CC=C(C=C3)C#N 1 2.94 4 4 0 -28.1547970899983 2408384 C1CN(CC=C1C2=CC=CC=C2)CC3=C(C=CC4=CC=CC=C43)O 1 4.656 1 1 4.34436301873843 2408370 C1=CC=C(C=C1)OC2=CC=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O 1 4.256 1 5 -1.72241230346613 2408348 CN1C=NN=C1SCC(=O)NCCC2=C(C=C(C=C2)Cl)Cl 1 2.776 4 1 -20.860144078755 2408347 CC(C)CCNC(=O)CSC1=NC(=O)C2=CC=CC=C2N1 1 2.671 3 2 -21.5798603294112 2408337 CCN(CC)C1=CC=C(C=C1)C=NN2C(=NC3=CC=CC=C3C2=O)C 1 3.54 4 1 -9.77880473056388 2408308 C1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4 1 3.644 4 1 -0.99056176132002 2408292 COC1=CC=C(C=C1)OCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.386 2 5 0 -11.8420920316118 2408253 CN(C1=CC=CC=C1)C(=O)CSC2=NN=CN2C3=CC=CC=C3 1 2.902 4 1 -11.9606704871951 2408194 CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)COC(=O)C3=CC=NC=C3 1 3.491 2 3 -12.9508432214491 2408176 CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3CC(NC(C3)(C)C)(C)C 1 3.191 2 3 -2.64973753016805 2408169 CC1=C(C=C(C=C1)NC(=O)CC2=CSC=C2)Cl 1 3.462 1 1 -6.4173907417655 2408166 CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=NC=CS3 1 2.473 3 5 0 -13.7352650132095 2408144 CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)OC(F)F 1 1.925 4 2 0 -16.0318118555799 2408139 COC(=O)CNC(=O)COC(=O)CC1=CC=C(C=C1)Cl 1 1.151 1 5 0 -13.8821625654065 2408123 CC(C)[C@@H](C(=O)OCC(=O)N1CCC2=CC=CC=C21)NC(=O)C3=CC(=CC(=C3)OC)OC 1 2.956 2 6 0 -27.9779846367613 2408101 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NNC(=O)C4=CC=CC=C4F 1 5.015 4 1 0.700059395519927 2408077 CNC(=O)CN1C=CSC1=NS(=O)(=O)C2=CC=C(C=C2)N 1 -0.273 4 3 0 -15.287916518533 2408058 C1=CC(=C(C(=C1)Cl)Cl)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-] 1 1.655 2 4 0 -12.6652425037744 2408039 C1COCCN1C2=NC(=C(S2)C=NC3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4 1 4.834 3 1 13.5833177961387 2408017 COC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC(=CC=C3)Cl)N)C(=O)NC4=CC=CC=C4OC 1 4.912 4 4 0 -8.47523939404727 2408016 COC1=CC=CC=C1NC(=O)C2=C(SC(=C2N)C(=O)NC3=CC(=CC=C3)Cl)NC4=CC=CC=C4F 1 5.134 4 3 0 -8.55189202669858 2407977 C1=CC=C2C(=C1)C(=CC=C2O)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.732 1 3 1.12656387201551 2407942 COC1=CC=C(C=C1)CNC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 4.045 1 5 -13.8100847922313 2407875 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)OC(F)F 1 3.389 3 3 -14.0038637531966 2407873 CCOC(=O)CCCNC(=O)COC(=O)C1=C(C(=CC=C1)C)O 1 1.614 1 6 0 -19.4104527614468 2407854 C1CCC(=CC1)CCNC(=O)COC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl 1 4.869 1 3 -8.34332631642737 2407851 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=C(C(=CC=C2)C)O)C)C 1 2.774 1 6 0 -6.53137225856785 2407834 CC1=CC(=CC(=C1)C(=O)OCC(=O)N2CCCC2)C 1 2.384 1 3 -10.3461566336622 2407821 C/C=C/C(=O)OCC(=O)NC1=CC(=CC=C1)F 1 1.962 1 3 0 -4.55880815606723 2407806 COC1=C(C(=C(C=C1)C(=O)NCCN2C(=O)/C(=C/C3=CN=CC=C3)/SC2=O)OC)OC 1 1.805 3 6 0 -12.1465899908862 2407786 CC1=CC2=C(C(=O)N=C2C(=C1)C)NN=C3N(C4=CC=CC=C4S3)C 1 3.335 4 1 -6.70282683517808 2407781 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=NN3C4=CC=CC=C4 1 1.846 5 3 0 -17.3233113473388 2407630 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3CCCC3 1 1.987 6 3 0 -26.5746670508507 2407626 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC(=O)NCC3=CC=CS3 1 1.451 2 4 0 -20.7834740882342 2407574 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=NN3CCN(CC3)C 1 3.352 4 0 3.63072140261504 2407566 C1COCCN1N=CC2=C(C=C(C=C2)F)F 1 1.662 2 1 0 1.30952720282863 2407556 CCNC(=O)CSC1=NN=C(N1C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3Br 1 5.084 4 1 -9.28205622821556 2407544 C1CCC(CC1)NC(=O)NN=CC2=CC=NC=C2 1 1.722 4 1 0 -7.29044313708234 2407524 COC1=CC(=CC(=C1O)OC)/C=C\2/C(=O)/C(=C/C3=CC(=C(C(=C3)OC)O)OC)/CC2 1 4.131 0 7 0 0.557264999143827 2407516 CN(C1CCCCC1)C(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.731 3 3 -13.9417411440471 2407513 CC1=C(C=C(C=C1)C2=C(C(=O)OC2)C3=CC=C(C=C3)[N+](=O)[O-])C 1 4.212 1 4 -0.196943396912826 2407483 C1COCCN1NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 2.566 4 2 -1.57379634555214 2407457 C1=CC=C(C=C1)C2=CN(C(=S)N2)N=CC3=CC=CC=C3F 1 3.612 3 0 -0.56723418313653 2407446 C1=CC2=C(C=CN=C2)C(=C1)NC(=S)NC3=CC=C(C=C3)Cl 1 4.789 3 0 -2.1949496992916 2407431 C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)SC(F)F 1 5.66 1 3 -9.54708436862476 2407419 CCC(CC)NC(=O)COC(=O)C1=C(C(=CC=C1)C)O 1 2.763 1 4 -8.61099267856674 2407404 CCNC(=O)COC(=O)/C=C/C1=CC(=CC=C1)F 1 1.767 1 3 0 -5.71498193049571 2407399 CCCNC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.58 2 6 0 -18.712438626087 2407366 C1=CC(=CC=C1F)SCC(=O)N 1 1.431 1 1 0 -2.44954237431578 2407345 CC(C)(C)C(=O)COC(=O)CNC(=O)C1=CC(=CC=C1)OC 1 1.857 1 5 0 -15.0609958348783 2407344 CCN1C/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C1 1 4.045 3 5 0 -1.45716937363795 2407341 CCN1C/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/C1 1 4.045 3 5 0 -1.45716937363795 2407329 COC1=CC=CC(=C1)/C=C/C(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.928 3 3 0 -12.7962455415001 2407309 C1CCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)C#N 1 1.291 2 3 0 -12.1321148705534 2407302 COC(=O)C1=CC(=COC1=N)C(=O)C2=C(C=CC(=C2)Cl)O 1 1.98 1 5 0 0.633365785214889 2407280 C1CC1C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F 1 2.22 1 4 -8.34078803058227 2407276 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2(CCCC2)C3=CC(=CC=C3)F)N 1 1.903 3 5 0 -12.4839841197516 2407275 CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NNC(=N2)N 1 1.911 5 1 0 -9.67774079152363 2407251 C1CCC(=CC1)CCNC(=O)COC(=O)COC2=CC=C(C=C2)Br 1 3.656 1 4 -15.3055607377604 2407223 C1CCN(CC1)N=CC2=CC=CC=C2Br 1 3.229 2 0 0.595080031147768 2407206 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3F)C 1 2.65 4 3 0 -14.6398679691751 2407203 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2CC2 1 1.525 2 4 0 -14.3295156008363 2407145 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)NC2CCCCC2 1 3.679 3 1 -8.61395546050112 2407129 C1CN(CCN1CC(=O)NC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 0.403 5 7 0 -25.0477157077685 2407114 C1CCC(CC1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3 1 2.977 4 1 -15.0255236193781 2407107 C1COCCN1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)NCC5=CC=C(C=C5)Cl 1 4.875 4 1 -0.502232976602295 2407054 COC1=C(C=C2CN(CCC2=C1)CC3=CC(=O)N4C(=CSC4=N3)C5=CC=CC=C5)OC 1 3.558 3 3 -12.9731222882518 2407021 CCN1CCN(CC1)CC(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.21 2 1 -0.532815561755976 2407019 CCN1CCN(CC1)CC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.832 2 4 0 -7.14108536335767 2406994 C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.931 3 3 -3.69462818304532 2406993 C1=COC(=C1)/C=C/C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.18 2 4 9.3435854467883e-002 2406978 C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)N)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)F 1 1.689 4 5 0 -19.0265395917902 2406970 C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3)SC=C2C4=CC=CS4 1 4.748 3 2 -24.7897166334766 2406914 COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)C3CC3 1 2.043 4 2 -9.36898711410491 2406897 CC1=CC=CC(=C1O)C(=O)OCC(=O)NCCCC2=CC=CC=C2 1 3.35 1 4 -10.8804110906343 2406894 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.369 2 8 0 -27.41415143186 2406889 CC1=CC=C(O1)C=NN2CCCCC2 1 2.021 2 1 -0.629068583218157 2406863 CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 2.969 4 2 -17.0682537444907 2406836 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OCC(=O)NCCC2=CC=CC=C2 1 3.068 1 6 0 -13.0126860409819 2406810 COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CO2)OC 1 1.945 1 6 0 -15.7849001837456 2406801 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2CC2)Br 1 2.649 1 3 -11.5858445646537 2406780 CC(=CC(=O)OCC(=O)NC1=CC=CC=C1Cl)C 1 2.868 1 3 -5.485145493849 2406755 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)OC(F)F 1 3.976 3 4 0 -18.0255747979501 2406716 C1CN(CCC1C(=O)O)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4 1 3.852 3 4 0 -18.1283391967417 2406710 CN1C(=NN=N1)SCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O 1 0.119 5 5 0 -23.2536598698003 2406701 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)N3CCC(CC3)C(=O)O 1 0.892 6 5 0 -26.5949905856935 2406693 CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)N3CCC(CC3)C(=O)O)C(=O)OC 1 2.149 3 5 0 -22.9968726066041 2406691 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F 1 2.102 2 5 0 -15.5539220181416 2406684 CC1=CC=C(C=C1)NC(=O)COC(=O)CCOC2=CC=CC=C2C 1 3.377 1 4 -8.86040800343914 2406679 CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)N3CCC(CC3)C(=O)O)C4=CC(=CC=C4)Cl 1 4.989 4 3 0 -9.76207070061099 2406660 COC(=O)C1=CC=C(C=C1)CNC(=O)C2=COC3=CC=CC=C3C2=O 1 1.995 1 5 0 -7.89632651271942 2406649 CC1=CC(=NO1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.343 4 4 0 -25.6959260404113 2406645 CCOC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-] 1 2.403 2 8 0 -17.0804144846438 2406592 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)N4C(=CSC4=N3)C5=CC=CC=C5 1 3.302 4 2 -5.97369141289803 2406575 COC1=CC=C(C=C1)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=CS4 1 2.401 4 2 -1.77465598216475 2406569 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2CCCCCC2)N 1 1.768 5 3 0 -10.4931889540694 2406532 CC(C)NC(=O)NC(=O)COC(=O)/C=C/C1=CC(=C(C=C1)O)OC 1 1.46 2 6 0 -10.0422239822645 2406530 CC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=CC=C2C(=O)C3=CN(C(=O)C(=C3)C#N)C4CCCCC4 1 3.303 3 5 0 -16.2228513023777 2406441 CC1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C 1 4.442 1 3 -14.3316046015341 2406434 CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CN2CCC(=CC2)C3=CC=CC=C3)N 1 1.295 5 4 0 -11.4442783869064 2406429 C1=CC(=C(C=C1Cl)Cl)CCNC(=O)CSC2=NC=NN2 1 2.966 4 1 -15.2068033100055 2406421 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)N 1 2.644 5 2 0 -5.94685394096413 2406408 CCOC(=O)CCCNC(=O)COC(=O)/C=C/C1=CC2=C(C=C1)OCO2 1 1.606 1 7 0 -21.1552499079055 2406374 C1COCCN1C(=O)COC(=O)C2=CC3=C(C=C2)OCCO3 1 0.424 1 6 0 -15.4344091377251 2406373 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)COC(=O)C3=C[N+](=CC=C3)[O-] 1 2.127 2 6 0 -13.0684622401821 2406354 CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)SC(F)F 1 7.607 2 0 -6.6125363466443 2406331 C1CN(CCN1C(=O)C2=CC(=CN=C2)Br)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 2.368 3 3 -14.794239799866 2406329 CC1=CC(=C(C=C1NC(=S)NCCCN2CCOCC2)OC)OC 1 2.854 3 3 -14.4990168576496 2406292 C1CN(CCN1C2=CC=CC=C2O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.903 2 1 -0.40290015123172 2406282 C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)/C=C/C3=CC=CO3 1 2.699 3 2 1.18938277739877 2406271 CC1=CC(=NO1)NC(=O)CSC2=NC=NC3=C2C=CS3 1 1.968 4 2 0 -21.2305655671306 2406214 C1CCC(CC1)N2C(=NN=C2SCC#N)CC3=CC=CC4=CC=CC=C43 1 4.94 4 0 -12.8645736188445 2406212 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC3=NC4=CC=CC=C4N3 1 3.615 3 1 -2.1336651973601 2406194 CCN1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)NC4=CC=C(C=C4)C#N 1 3.319 4 1 -5.81749892554399 2406187 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=NC(=CS3)C4=CC=CC=N4 1 3.431 3 2 6.03092223964666 2406181 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4 1 3.294 2 5 0 -5.47661260056431 2406179 C1COCCN1CCCNC(=S)NC2=CC=C(C=C2)N3CCOCC3 1 2.251 4 2 -9.86598025795094 2406176 C1CN(CCN1CCO)C(=S)NC2=CC=C(C=C2)SC(F)F 1 3.829 3 1 -7.92020747019568 2406167 COC1=C(C=C2CN(CCC2=C1)C3=C4C5=C(CCCC5)SC4=NC(=N3)CN6CCOCC6)OC 1 4.471 4 3 0 -13.4175719239481 2406158 CC1=CC(=CC=C1)OCCC(=O)NC2=CC=CC=C2C(=O)N 1 2.186 2 3 -7.97558769400157 2406102 COC(=O)C1=CC(=CC=C1)NC(=O)CC2=CSC=C2 1 2.166 1 3 -10.7504949835311 2406093 CC(C)CCNC(=O)[C@H](C(C)C)NC(=O)C1=C(C=CC=C1F)F 1 3.416 2 2 -22.5632460275383 2406056 CC1=C(C(=CC=C1)C)NC2=NN=C(S2)SCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 4.904 5 1 -9.7241685832748 2405995 CC1=CC(=C(C=C1)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC(=C2)OC)OC)C 1 3.648 2 6 0 -25.7669241344439 2405992 CC(C)NC(=O)COC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2 1 3.031 1 4 -13.5280358871255 2405975 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3 1 3.603 2 7 0 -15.6432627008552 2405965 CC1=C(C(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl 1 6.099 2 6 0 -12.6456939700362 2405944 C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl 1 3.898 1 4 -10.7830626663252 2405941 CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C 1 4.537 3 4 0 -4.63958167032103 2405928 COC1=CC=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N 1 1.168 4 2 0 -5.52606326438606 2405912 CCOC(=O)C1=CC(=NN1C2=CC=CC=C2C)C3=CN=CC=C3 1 3.834 3 2 -3.99237401360909 2405889 CC1=CC(=C(C=C1)C(C)C)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 4.506 1 3 -4.96082345702115 2405875 C1CN(CCN1C(=O)CCl)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.604 2 3 0 -16.7339147113288 2405863 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3)C=NN4)Cl 1 1.727 4 4 0 -20.1016409282391 2405766 CCOC1=CC=C(C=C1)S(=O)(=O)NNS(=O)(=O)C2=C(C=C(C=C2)C)C 1 2.582 2 5 0 -4.54402409121478 2405759 CC1=CC(=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=CS2)C 1 2.5 2 3 -8.37666920069772 2405784 CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC3=C(C=C(C=N3)Cl)Cl 1 5.217 4 0 2.82818612206305 2405775 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC(=CC=C2)N(C)C 1 1.94 3 5 0 -16.2600378653174 2405773 CC1=NNC(=NC1=O)NNS(=O)(=O)C2=CC=C(C=C2)Cl 1 0.547 5 3 0 -9.6359722653324 2405710 C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNS(=O)(=O)C3=CC=CC=C3F 1 2.462 4 3 0 -6.85207307672667 2405718 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Cl 1 1.043 3 6 0 -21.0891595976531 2405738 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNS(=O)(=O)C2=CC=C(C=C2)C 1 1.968 2 6 0 -8.84831478194686 2405730 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNS(=O)(=O)C4=CC=C(C=C4)Cl 1 4.372 3 3 -8.35327964937382 2405728 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C 1 0.368 2 5 0 -22.6231774027465 2405674 C1=CC(=CN=C1)NC2=C(C=C(C=N2)Cl)Cl 1 2.946 3 0 4.13012937263964 2405641 COC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C=NN3 1 3.994 4 1 -4.50422761222627 2405639 CC(C)NC(=S)NC1=CC2=C(C=C1)C=NN2 1 2.882 4 0 -11.3283024149325 2405605 C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NN=C(O3)C4=CC=CO4 1 3.24 5 3 0 -20.3896754526397 2405599 CC1=NC2=CC=CC=C2N1C(=NS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.672 3 2 -3.36990054895299 2405593 C=CCN(CC=C)C1=C(C(=O)N(N=C1)C2=NC3=CC=CC=C3N2)Cl 1 2.908 5 1 -4.02988620329848 2405591 C1=CC=C2C(=C1)C=CC=C2NC(=O)CC3=CC=CC=C3C(=O)O 1 3.187 1 3 -8.64902726433224 2405580 CC1=C(C(=NO1)C)CSC2=NN=C(N2C3CCCCC3)CC4=CC(=C(C=C4)OC)OC 1 4.734 4 3 0 -24.3049224230876 2405577 CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(ON=C3C)C)C4=CC=NC=C4 1 4.242 5 1 -11.284678215216 2405565 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=CC=C3 1 3.305 4 3 0 -14.0664155914637 2405538 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3Cl 1 4.103 3 2 -0.794133446049129 2405503 CC1=CSC(=NCC(=C)C)N1N=CC2=CC=CO2 1 2.88 3 1 -7.88102173825509 2405501 COC1=CC(=C(C=C1)NC(=O)CSC2=CC=CC3=C2N=CC=C3)OC 1 3.161 2 3 -12.8357405214482 2405497 C1=CC=C(C=C1)C2=C(N(N=C2CSC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)Cl)N 1 6.014 5 0 3.63786875532439 2405459 C1C2=CC=CC=C2C(=NC(=O)C3=C(N=CC=C3)Cl)N1C4=CC(=C(C=C4)F)Cl 1 4.875 3 1 -2.64560886366571 2405403 C1=CC=C(C=C1)CNC2=NC(=CC=C2)Cl 1 3.011 2 0 -0.482563547600831 2405355 CCCCOC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=C(C=C3)F 1 4.377 3 3 -3.26012002509752 2405342 C1COC2=C(O1)C=C3C(=C2)N=C(C(=N3)NS(=O)(=O)C4=CC=CC=C4)Cl 1 2.98 3 4 0 -4.99084262383671 2405340 C1=CC=C(C=C1)CCNC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.94 1 5 -19.1700667013387 2405315 CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=C3CN(CCC3=NC4=CC=CC=C42)CC5=CC=CC=C5 1 5.532 3 3 -5.17966243229128 2405313 CN1CCN(CC1)C=NC2=NC3=CC=CC=C3N=C2N4CCCC4 1 1.84 6 0 0 3.54304405040058 2405293 CC1=CC(=CC(=C1NC(=O)CCl)C)SC#N 1 2.929 2 1 -5.59716002658383 2405292 CC1=C(C(=NO1)C)CSC2=NN=C(O2)C3=CC=CO3 1 2.073 3 3 -13.1115899923362 2405280 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O 1 1.253 1 6 0 -20.2181657520697 2405272 CN(C1=CC=C(C=C1)OCC(=O)NC2=NCCS2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.837 3 4 0 -16.8976993074742 2405263 CNC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.708 2 6 0 -14.9946852483537 2405218 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)/C=C/C3=CC(=CC=C3)C(F)(F)F 1 5.351 1 3 -6.10844938805684 2405206 CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCC(CC2)C(=O)O)C(=O)OC 1 1.323 1 8 0 -17.327485559044 2405160 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC(=O)NC(C)(C)C 1 0.851 2 5 0 -17.0279663351864 2405143 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)N2CCCC2 1 0.323 2 5 0 -19.3456144532743 2405141 CCCCNC(=O)COC(=O)C1=CC=C(C=C1)N(C)C 1 2.236 2 3 -17.2968583386147 2405135 CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2 1 1.49 3 6 0 -29.6382349568813 2405133 CC(C)NC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2 1 1.285 3 6 0 -30.0218609640182 2405131 C1=CC(=CC=C1NC(=O)COC(=O)C2=NC=CN=C2)S(=O)(=O)N 1 -0.846 4 5 0 -16.8530026630734 2405120 CC(C)(C)NC(=O)/C=C/C1=CC=CS1 1 2.39 1 1 -10.4632000156268 2405113 CC(C)NC(=O)NC(=O)COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl 1 1.81 3 6 0 -12.7621190081377 2405108 CC(C)CNC(=O)COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl 1 2.495 2 5 0 -11.1734508380103 2405096 CCC1=CC=CC=C1OCC(=O)NNCC(=O)NC2=CC=CC(=C2)C#N 1 1.839 4 3 0 -10.9077108241972 2405056 CC1=CC(=C(N1CCC(C)C)C)/C=C(/C#N)\C(=O)O 1 2.937 2 2 -11.847833021212 2405054 CC1=CC(=C(N1CCC(C)C)C)/C=C(\C#N)/C(=O)O 1 2.937 2 2 -11.847833021212 2405034 CCOC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)N4CCOCC4 1 4.348 3 3 0.789937270613361 2405031 CCOC(=O)C1=CC(=NN1C2=C(C=C(C=C2)F)F)C3=CC=C(C=C3)N4CCOCC4 1 4.759 3 3 0.392638384960993 2405009 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC=CC=C2OC(F)F 1 2.376 2 6 0 -13.8647586293253 2404988 CCOC1=NC2=CC=CC=C2C=C1C=O 1 2.647 1 2 0.694155909171128 2404975 CCC1=CC(=CC(=C1NC(=O)CCl)CC)SC#N 1 3.841 2 1 -4.92404966614683 2404972 CCC1=C(C(=CC(=C1)SC#N)C)NC(=O)CCl 1 3.385 2 1 -5.20669291725175 2404962 COC1=CC=CC=C1OC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42 1 5.389 1 3 -5.62068775906356 2404957 CC1=CC=CC2=NC(=NS(=O)(=O)C3=C(C=C(C=C3)F)F)C4=CC=CC=C4CN12 1 3.681 3 2 -5.54200493361206 2404954 CC(C)(C)CC(=O)OCC(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C 1 4.418 3 3 -11.8400421891462 2404953 COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.45 2 5 0 -9.70779361220109 2404945 CCN(CC(=O)NC1=CC=CC=C1Br)C2CCCCC2 1 3.912 2 1 -9.45653782762869 2404941 C1CCC(CC1)NC(=S)NN=CC2=CC=CC=C2C(=O)O 1 3.719 3 2 -8.71576366973343 2404883 C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CCl 1 3.601 1 1 -5.50666691299241 2404879 CC1=C(C(=C(C=C1)Cl)NC(=O)CCl)Cl 1 3.298 1 1 -3.47562591745111 2404858 C1=CC=C(C=C1)CCNC2=NC3=CC=CC=C3S2 1 3.696 2 0 2.60717885971639 2404851 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NNC(=S)O3 1 1.348 3 4 0 -20.1006760183211 2404844 CC1CCN(CC1)C(=O)COC(=O)CCC(=O)C2=CC=CS2 1 2.028 1 4 -19.5242992336786 2404841 C1=CC=C(C=C1)CCNC(=O)CC(=O)NCCC2=CC=CC=C2 1 2.571 2 2 -7.94298821521102 2404832 COCCNC(=S)NCCC1=C(C=C(C=C1)Cl)Cl 1 3.76 2 1 -9.53899813580977 2404824 CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)CCl 1 3.965 2 1 -6.72868623182195 2404807 C1CSC(=N1)NCCC2=CC=CC=C2 1 2.559 2 0 -7.08069923721435 2404770 C1=CC(=CC=C1CNC(=O)CC(=O)NCC2=CC=C(C=C2)Cl)Cl 1 3.258 2 2 -5.89772813171035 2404762 CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CC#N 1 3.938 2 1 -2.71975559544744 2404758 CC1=CC=C(S1)C=NNC(=S)NCCC2=CC=CC=C2 1 4.235 3 0 -5.95300263662592 2404752 C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC(=O)NCC(F)(F)F 1 4.889 4 1 -11.6448150637492 2404744 CN1C(=NN=C1SCC(=O)NC(=O)NCC=C)C(F)(F)F 1 1.288 5 2 0 -17.3034992993895 2404728 C1CCC(CC1)C(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)O 1 3.078 1 5 -2.48069436074184 2404669 C1CCC(C1)NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br 1 2.989 2 5 0 -11.7841695445009 2404664 C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=CC=C4Cl)O 1 3.857 3 6 0 -6.20251579159396 2404639 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N(C)C4CCCCC4 1 2.389 4 6 0 -27.0185388498481 2404635 CC1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.365 4 6 0 -28.4474661291455 2404532 CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(O2)C3=C(N(C(=C3)C)C4=CC=CC=C4)C)C 1 4.988 4 2 -15.0117773179337 2404520 CC1=C(C(=NO1)C)COC(=O)/C=C/C2=CC(=C(C=C2)OC(F)F)OC 1 3.408 1 5 -11.3209825532775 2404497 C1=CC=C(C=C1)CNC(=O)COC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 1.355 3 7 0 -23.2275824698495 2404496 CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC2=C(ON=C2C)C)C 1 2.183 2 4 -18.6367271686951 2404472 CC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=C(C(=CC=C2)OC)OC 1 2.789 1 4 -7.50137544656956 2404456 CC1=CSC(=N1)SCC(=O)NC(=O)C2CCCCC2 1 2.621 2 2 -12.2585701239601 2404439 CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=C(N=CC=C3)Cl)C 1 3.632 5 1 -13.6837144720881 2404411 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)NC2=CC=CC=C2 1 2.713 2 3 -8.75629555725805 2404400 COC1=CC=CC=C1OCCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.433 1 6 0 -12.4736624445538 2404323 C1=CC=C(C(=C1)NC(=O)CCC(=O)C2=CC=CS2)F 1 2.728 1 2 -11.1271876507656 2404318 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.141 3 5 0 -14.6036129160323 2404298 COC1=C(C=C(C=C1)S(=O)(=O)NCCCCCC(=O)O)C(=O)O 1 1.317 1 7 0 -17.871791971983 2404267 C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC(=C(C=C3)F)F 1 2.503 1 4 -3.74466114757871 2404257 CC1=CC(=CC(=C1)NC(=O)CN2C3=C(C=C(C=C3)OC)SC2=N)C 1 3.751 3 2 -5.92655824875003 2404227 CC1=NN=C(N1C)SCC(=O)N(C)C2CCCCC2 1 1.868 4 1 0 -15.5642296562186 2404169 COC1=CC(=CC=C1)OCC(=O)N2CCCC3=CC=CC=C32 1 3.17 1 3 -8.93662051572752 2404120 C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 1.866 3 6 0 -12.1686750153804 2404112 CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)COC(=O)CCC3=CNC4=CC=CC=C43 1 4.931 2 3 -12.721899106096 2404077 CC(=O)NC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2CCCCC2 1 2.323 3 2 -15.8938827226403 2404065 C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CO3 1 1.321 2 5 0 -13.7767825523721 2404058 COCCCNC(=O)/C(=C/C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2Cl)/C#N 1 2.725 3 3 -18.8007438871368 2404039 CC1=CC(=C2C(=C1)C(=CC(=N2)SCC3=CC=C(O3)C(=O)OC)C)C 1 5.467 1 3 -3.89669279292995 2404025 COC1=CC=CC=C1CNC(=O)CSC2=NN=C3N2C=C(C=C3Cl)C(F)(F)F 1 3.921 4 2 -15.6482055074724 2404009 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC(=C(S2)Br)Br 1 4.342 1 3 -15.6131952932684 2403995 C1COC2=C(O1)C=CC(=C2)C(=O)CN3C=NC4=CC=CC=C4C3=O 1 1.998 2 4 0 -10.0838860884054 2403986 CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC(F)(F)F 1 2.3 3 4 0 -20.5760778577546 2403984 C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NCC3=CC=CS3 1 1.339 3 2 0 -17.0808509420062 2403982 CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)C(C)(C)C)C(=O)OC 1 3.91 2 3 -20.0942085313134 2403933 CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3 1 2.39 2 5 0 -24.5978382568493 2403876 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=CC=C3)OC 1 2.533 3 5 0 -13.5606469053488 2403875 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC=C(C=C3)CO 1 2.156 2 4 -7.39014102564331 2403866 CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NCCC3=CCCCC3)C)C 1 5.943 2 1 -12.3069080950686 2403834 COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=CS2)C#N)OC 1 1.014 3 6 0 -23.807690367565 2403831 CC(C)[C@@H](C(=O)OCC(=O)NC1=C(C=CS1)C#N)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.341 3 6 0 -28.0564563945837 2403716 CC(C)[C@@H](C(=O)OCC(=O)NC1=CC(=CC=C1)F)NC(=O)C2=CC=CO2 1 2.309 2 5 0 -17.0082687206211 2403694 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC(C)C)C 1 1.692 2 5 0 -20.4741150455945 2403682 C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)F)C(=O)O 1 2.518 2 3 -5.52374694921158 2403674 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.815 2 7 0 -14.9190999286757 2403645 CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CSC3=CC=CC=[N+]3[O-] 1 4.087 2 2 -5.14628152570554 2403639 CC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC2=CC(=CC=C2)F)C 1 0.39 3 5 0 -11.1311460772606 2403623 COC1=CC(=C(C=C1C(=O)OCC(=O)N2CCOCC2)Cl)N3C(=O)C4=CC=CC=C4C3=O 1 1.895 2 7 0 -16.2116061916373 2403619 C1CN(CC2=C1N=C(S2)NC(=O)C3=C(C=CC=C3F)F)CC4=CC=CC=C4 1 3.974 3 1 -7.01460596809463 2403605 CC(=O)CSC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.492 2 5 0 -10.9540358647348 2403583 CCCCNC(=O)COC(=O)C1=CC2=C(S1)N(N=C2C)C3=CC=CC=C3 1 3.614 3 3 -17.9727236444227 2403575 COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O 1 1.026 3 7 0 -24.1779217347225 2403563 C1=CC=C(C(=C1)C=NNC(=O)C2=CC=C(C=C2)COC3=CC=CC4=C3N=CC=C4)C(=O)O 1 4.066 3 4 0 -11.1120859974481 2403513 COC1=CC=CC=C1OC(=O)CCC2=NC3=CC=CC=C3S2 1 3.805 1 3 -6.57612097312112 2403508 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)C3=CC=CO3 1 2.692 1 5 -10.5052462638596 2403507 COC1=C(C=C(C=C1)CNC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3)OC 1 4.142 1 3 -10.5885721168854 2403499 CC(=O)C1=CC(=CC=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)F 1 2.515 1 3 -7.0434816627232 2403465 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 3.645 1 6 0 -16.0051471418977 2403411 COC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)C3=CC=CN3 1 2.837 3 3 -5.60597520746808 2403408 C1=CC(=CC=C1C#N)OCC(=O)NC2=CC=NC=C2 1 1.178 3 2 0 -7.40870744598986 2403406 CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C 1 3.724 3 4 0 -10.4270471818799 2403395 C1=CSC(=C1)C(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl 1 4.312 1 2 -3.31254379863568 2403391 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5 1 3.365 3 3 -9.8690476826372 2403325 C1CCN(C1)C(=O)CSC2=NC3=CC=CC=C3O2 1 2.165 2 2 -7.85279817727499 2403268 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CCC2CCCC2)C 1 3.869 1 5 -14.6488508161249 2403262 CC1=C(C(=CC=C1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)C 1 5.179 3 0 -1.2219192546882 2403260 CC1=CC=CC=C1NC(=S)NC2CCN(CC2)CC3=CC=CC=C3 1 4.692 3 0 -4.86389007307416 2403251 CC1=C(C(=NO1)C)CN(C2=CC=CC=C2)C(=S)NC(C)C 1 4.057 3 1 -17.1398481711446 2403245 CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)F 1 6.449 2 0 -5.27392133347487 2403212 CC(C)(C)NC(=O)COC(=O)C1=C(C=C(C=C1)F)Cl 1 2.546 1 3 -10.4274629229327 2403194 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 0.895 4 5 0 -21.5939049778513 2403164 C1CCC(C1)CC(=O)NC2=CC(=CC=C2)Br 1 3.614 1 1 -4.8748094670612 2403129 C1=CC(=CC=C1C#N)C(=O)NC2=CC=NC=C2 1 1.343 3 1 0 -7.08766888642006 2403087 CC(=O)N1CCN(CC1)C(=O)COC2=CC=C(C=C2)Br 1 1.044 2 3 0 -6.99153078660783 2403072 C1CN(C(=NC2=CC=CC=C2)SC1)C(=O)C3=CC=CC=C3Br 1 4.696 2 1 -7.75433949320322 2403045 C1CCCC(CCC1)NC(=O)CSC2=C(C=CC=N2)C(=O)O 1 3.22 2 3 -16.5997962686832 2403037 COC1=CC=C(C=C1)NC2=CC=CC=C2NC(=O)C3=CC=CC=C3Br 1 4.896 2 2 -3.43219356747439 2403031 CC(C)(C)NC(=O)NC(=O)CSC1=NC=CC=N1 1 0.885 4 2 0 -14.0597886456007 2403011 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NCCN2C(=O)CSC2=O 1 1.195 3 7 0 -23.77972599155 2402989 C1=CC=C(C(=C1)C=NNC(=O)C2=CC=CC=C2Br)C(=O)O 1 3.061 2 3 -4.35248434327819 2402984 CCNC(=S)NN=CC1=CC=C(C=C1)C(=O)O 1 2.21 3 2 -9.68584813242594 2402975 CCNC(=S)NN=CC1=CC(=CC=C1)C 1 3.066 3 0 -5.32534308573441 2402962 C1=CC=C(C=C1)C2=NN=C(O2)C(=O)CSC3=NN=C(O3)C4=CC=CC=C4 1 3.174 4 3 0 -6.29442788209281 2402943 COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C=CS3)C#N 1 2.234 4 2 -8.4741877913521 2402930 C1CN(CCC1C(=O)N)C(=O)/C=C/C2=CC(=CC=C2)Br 1 1.934 2 2 0 -2.2095230945863 2402926 C1=CC(=CC(=C1)Br)/C=C/C(=O)NC2=NNN=N2 1 2.201 5 1 -3.17778381459743 2402825 C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)O 1 2.467 2 4 -5.36232945187778 2402823 CC1=C(C(=CC=C1)C)NC(=S)NCCC2=CC(=C(C=C2)O)O 1 4.905 2 2 -2.66261736828104 2402789 C1CCN(C1)C(=O)CSC2=NCCS2 1 1.586 2 1 0 -14.4875087949375 2402760 COC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)F 1 2.583 2 3 -4.51374570927313 2402743 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl 1 5.038 4 4 0 -16.0874396850934 2402709 C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4 1 3.2 4 5 0 -5.41891305145297 2402703 C1=CC=C(C(=C1)C=NNC(=O)C2=CC=C(C=C2)F)OCC(=O)O 1 2.353 2 4 -7.8766962049063 2402693 COCCN1C(=C(SC1=S)C(=O)OCCOC)N 1 1.029 2 4 0 -10.1480944800972 2402682 C1COCCN1CCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=C(C=CC(=C5)Cl)Cl)N 1 4.056 5 3 0 -10.4484200730117 2402666 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=CN2C 1 1.79 3 2 0 -18.8262551720052 2402639 C1=CC(=CC=C1NC=O)OC(=O)C2=CC(=CN=C2)Br 1 1.901 2 3 0 -8.31479297418158 2402636 CC1=C(SC(=N1)N2CCCCC2)C=O 1 1.619 2 1 0 -0.437837859383403 2402633 C1CC2=C(C1)SC3=C2C(=NC(=N3)CN4CCOCC4)Cl 1 2.562 3 1 -5.18299224876101 2402620 CC(=O)C1=CC(=C(C=C1)O)CSC2=NN=CN2C 1 1.564 3 2 0 -13.6641148534611 2402619 CCCC1=CC(=O)N=C(N1)SCC(=O)CSC2=NC(=O)C=C(N2)CCC 1 3.163 4 3 0 -12.2882265492011 2402618 C1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2C1 1 2.886 2 1 -7.10900734652558 2402610 CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CCl)C)C 1 3.683 3 2 -14.0192485995615 2402596 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCCCSC 1 3.239 3 1 -16.5745417117147 2402591 CN(C1=CC=C(C=C1)OCC(=O)NC2CCCC2)S(=O)(=O)C3=CC=CS3 1 2.755 2 4 -14.4377931977046 2402584 C1CC(C1)C(=O)NC2CCC(CC2)CC3CCC(CC3)NC(=O)C4CCC4 1 4.568 2 2 -5.28401226354331 2402580 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC=C(C=C3)C#N 1 3.803 4 3 0 -11.6022943928612 2402572 CC1=C(C(=CC=C1)C)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4S3 1 5.133 4 0 -7.50983172695006 2402559 CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C4=CC=CC=C4OC)C(=O)OC 1 2.867 4 4 0 -10.5945147268972 2402541 CC1=C(C=CC=C1Cl)NC(=S)NC2=CC=CC(=C2)C(=O)OC 1 5.372 2 2 -7.70638496061895 2402538 C1CN(CCC1NC(=S)NC2=CC=CC=C2Cl)CC3=CC=CC=C3 1 4.871 3 0 -2.29853302565573 2402532 C1CC(=O)N(C1)CCOC(=O)C2=CC(=CN=C2)Br 1 0.936 2 3 0 -17.6557949936431 2402478 CN(CCC#N)C(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.892 3 6 0 -18.3454457302331 2402470 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCC(=O)OCC(=O)NC3=CC=CC=C3OC(F)F 1 1.769 3 6 0 -15.1090405606991 2402452 C1CSC(=N1)NC(=O)C2=CC=C(C=C2)C(F)(F)F 1 3.045 2 1 -7.7567716777736 2402434 CCNC(=S)NN=CC1=C(C=CC(=C1)C)C 1 3.552 3 0 -4.483655796447 2402422 COC1=CC=CC=C1C=NNC(=S)NC2=CN=CC=C2 1 2.919 4 1 -5.83112238871026 2402417 CC1=CC(=CC=C1)OCC(=O)NN=CC2=CC=CC=C2C(=O)O 1 2.634 2 4 -4.94630595706289 2402391 CC1=CC=C(S1)C=NNC(=S)NC2CCCCC2 1 4.188 3 0 -5.06976523597622 2402388 CCCCNC(=S)NN=CC1=CC=C(C=C1)C#N 1 3.439 4 0 -12.6548437136672 2402386 CCNC(=S)NN=CC1=CC=C(C=C1)C#N 1 2.459 4 0 -9.47302074008776 2402378 CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)N 1 0.176 4 4 0 -19.5750849424141 2402375 CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)C 1 4.167 4 2 -9.31454572875623 2402359 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC(=C(C=C2)Cl)Cl)C 1 3.926 2 3 -9.05005631151868 2402306 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3 1 2.627 2 6 0 -17.433543408772 2402288 CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 4.777 2 5 0 -26.9688168747839 2402280 C1CN(CCC1NC(=S)NC2=CC=C(C=C2)Cl)CC3=CC=CC=C3 1 4.871 3 0 -1.31322544895176 2402260 CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])C 1 3.752 2 5 0 -7.06654493817824 2402238 CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC)/C#N 1 5.316 2 4 -16.5953247770769 2402200 CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.148 2 5 0 -12.1901516022768 2402161 CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)O 1 3.449 0 3 4.30014764025886 2402158 CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 1.324 5 4 0 -14.1563286470357 2402091 COC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4 1 3.35 4 5 0 -10.6867967114945 2402009 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C 1 2.791 4 5 0 -21.1745559204948 2401953 C1C(=O)NC2=CC=CC=C2N1C(=O)CCCC3=CNC4=CC=CC=C43 1 2.867 3 2 -15.5349268686651 2401887 C1CC2=CC=CC=C2N(C1)CC(=O)NC(=O)NCC3=CC=CC=C3 1 2.946 3 2 -15.5838023106905 2401855 C1=CC(=CC=C1C2=NN=C(O2)SCC(=O)OCC(=O)NC3=CC(=CC(=C3)Cl)Cl)Cl 1 4.549 3 4 0 -12.876648923803 2401845 CCOC1=CC=CC=C1NC(=O)C2=CC(=COC2=N)C(=O)C3=C(C=CC(=C3)OC)O 1 2.561 2 6 0 -8.23999731231983 2401842 C1CCC(CC1)N2C(=NN=C2SCC(=O)N)CC3=CC=CS3 1 3.108 4 1 -18.0921027823729 2401816 CCNC(=S)N1CCN(CC1)C2=NC=CC=N2 1 1.294 5 0 0 -7.68263066285375 2401809 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5 1 1.927 6 2 0 -5.84493982903523 2401794 C1=CC2=C(C(=C1)OCC3=CC=C(C=C3)C#N)N=CC=C2 1 3.462 2 1 -6.21876938617384 2401669 CC1=CC(=C(O1)C)C(=O)NN=CC2=CC=C(C=C2)N3CCOCC3 1 1.928 3 3 0 -7.69344615362976 2401655 CC1=NC=C(N=C1)C(=O)OCC(=O)N(C(C)C)C(C)C 1 0.813 3 3 0 -14.5840391743399 2401643 CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 4.945 2 3 -4.10331688718506 2401639 CC(C)CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=CC=C(C=C3)OC 1 5.215 5 2 0 -8.04623978893502 2401629 C1=C(C=NC(=C1Cl)NC(=O)CSC2=NC=NN2)C(F)(F)F 1 2.305 5 1 -6.2093428869272 2401610 C1=CC(=CC(=C1)O)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F 1 2.885 1 5 -5.33607990844152 2401604 CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3 1 3.796 2 3 -11.879198927889 2401602 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)CCCSC3=NC4=CC=CC=C4N3 1 4.902 3 4 0 -12.4238293561361 2401600 C1CN(CC2=C(C3=CC=CC=C3N=C21)C(=O)OCC(=O)NC4=C(C=CC=C4F)F)CC5=CC=CC=C5 1 4.793 3 3 -6.49990585273691 2401598 COC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C(=O)NCCC3=CC=CC=C3)CCC4=CC=CC=C4 1 3.965 2 5 0 -8.043053875462 2401596 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NCC3CCCCC3 1 2.858 8 1 0 -21.653660729943 2401547 C1CN(C2=CC=CC=C21)CC(=O)NC(=O)NCC3=CC=CC=C3 1 2.49 3 2 -14.7178763145811 2401533 C1CCN(C1)C(=O)COC(=O)/C(=C/C2=CC=CC=C2)/C#N 1 1.718 2 3 0 -12.3048423110186 2401532 COC1=CC(=C(C=C1)/C=C/C(=O)OCC2=NC(=O)C3=CC=CC=C3N2)OC 1 2.635 2 5 0 -6.10693868430273 2401504 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSCC(=O)O 1 2.4 1 5 -16.8330254290106 2401502 C1=CC(=CC(=C1)C(F)(F)F)C(=O)CSC2=C(C=CC=N2)C(=O)O 1 3.588 1 3 -4.77800726583981 2401499 CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC(=CC=C3)OC 1 2.668 2 4 -7.77754594725917 2401491 CC(C)OC(=O)C1=CC(=COC1=N)C(=O)C2=C(C=CC(=C2)Br)O 1 2.79 1 5 -2.59516196663937 2401486 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC=CC=C2Br 1 3.149 1 4 -15.7171499536549 2401484 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NCC2=CC=CC=C2 1 2.77 1 6 0 -18.4429591353401 2401476 CC1=CC(=C(O1)C)C(=O)OCC(=O)NCC2=CC=CC=C2OC 1 1.707 1 5 0 -17.4654189605273 2401452 COC1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC(=CN=C4)Br 1 3.864 3 2 -5.37347952628279 2401448 C1C2=CC=CC=C2C(=NC(=O)C3=C(N=CC=C3)Cl)N1C4=CC=C(C=C4)C#N 1 3.884 4 1 -6.10865097311468 2401422 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC(=CC=C3)OC)C 1 2.428 4 4 0 -11.9863419670465 2401418 COC1=C(C=C(C=C1)CNC(=O)CSC2=NNC(=N2)N)OC 1 1.058 5 3 0 -16.275061498811 2401412 COC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2CCCCC2 1 2.639 1 5 -14.0444114627873 2401404 C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)OC(F)F 1 3.64 1 5 -7.01949169560445 2401403 CCC(C)(C)NC(=S)NC1=CC=CC=C1C 1 4.453 2 0 -9.69074231874053 2401385 CC1=NN=C(S1)CSC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N 1 2.17 7 1 0 -8.17694204467709 2401327 CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC#N 1 3.159 3 1 -17.8168601090148 2401333 CCNC(=S)NN=CC1=C(C=CS1)C 1 3.019 3 0 -6.42323731643159 2401313 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O 1 1.722 3 5 0 -9.70052987782434 2401307 C1COCCN1CCNC(=S)NN=CC2=CC=CC=C2 1 2.058 4 1 -10.1008554954395 2401305 C1CCC(CC1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.279 2 6 0 -17.3269719050555 2401298 COC(=O)NN=CC1=CC=C(C=C1)OC2=CC=CC=C2 1 3.222 2 3 -4.0698885169571 2401297 CC1=CC(=C(C=C1)C)C=NNC(=S)NC 1 3.204 3 0 -4.17425086345975 2401287 CCCCNC(=S)NN=CC1=C(C=CC(=C1)C)C 1 4.532 3 0 -7.66547877002639 2401286 CC(C)NC(=S)NN=CC1=CC=CS1 1 2.911 3 0 -10.8456395715258 2401281 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)NCC4=CC=CO4 1 3.692 2 4 -23.5682380625317 2401241 C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N 1 0.215 2 6 0 -13.7345943498361 2401224 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NCC3=CC=CC=C3 1 5.071 3 0 -2.98861949105841 2401222 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NCC(C)(C)CN(C)C 1 6.06 4 0 1.23863230274315 2401218 COC1=CC=C(C=C1)CCNC(=S)NCCC2=CNC3=CC=CC=C32 1 4.744 3 1 -8.84015746217539 2401215 CN(CCC1=CC(=C(C=C1)OC)OC)C2=C3C=CSC3=NC=N2 1 3.685 3 2 -4.24571651909493 2401200 C1CN(CCC1C(=O)N)C(=O)CCC(=O)C2=CC=C(C=C2)F 1 0.879 2 3 0 -6.83681330863047 2401195 C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 2.294 2 5 0 -5.99808353337795 2401181 C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])F 1 2.506 2 5 0 -9.07387545244983 2401148 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)C(=O)NN=CC3=CN=CC=C3 1 2.684 4 3 0 -6.1703965975159 2401133 C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)Br)OC(F)F 1 4.237 2 2 -2.36322548604466 2401131 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)C#N 1 2.264 2 4 -10.9092781486464 2401115 CC1=C(C=C(C=C1)NC(=S)N(C)C(C2=CC=CC=C2)C3=CC=CC=C3)C 1 7.216 2 0 -6.23371317358024 2401112 C1COCCN1CCNC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3 1 3.779 5 1 -5.72438692212897 2401094 CC1=CC(=NN1C2=NC(=C(C=C2)Cl)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C 1 5.357 4 1 -4.80856326275485 2401093 COC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCCC2=CCCCC2 1 3.524 1 4 -12.659620506684 2401066 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C1CN(CCN1CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3O 1 1.377 4 4 0 -9.59301864690383 2399222 COC1=CC=C(C=C1)C(=O)COC(=O)CCC2=CC=CC=C2 1 3.415 0 4 -10.9522370067864 2399215 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(C)C 1 1.175 3 4 0 -19.7092996745869 2399213 CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C 1 4.175 4 3 0 -4.7994267904086 2399200 CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C(=O)OC 1 3.826 4 3 0 -2.97687217650511 2399190 C1CCC(CC1)NC(=S)NN=CC2=CC=C(C=C2)C(=O)O 1 3.719 3 2 -9.7070099094417 2399171 CCCCNC(=S)NN=CC1=CC=CC=C1F 1 3.765 3 0 -8.7540715658929 2399136 CN(CC(=O)NC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.873 3 3 -5.14903124038442 2399072 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(O2)C3=CC=NC=C3 1 2.369 3 3 -11.7430078237418 2399063 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=C(C=CC(=C3)Br)OC 1 3.412 3 2 -3.33449188461385 2399041 C1=CC=C(C=C1)CNC(=S)NNC2=NC3=CC=CC=C3N2 1 3.188 5 0 -3.5639000855217 2399032 C1=CC=C(C(=C1)NC(=O)COC(=O)CC2=C(C=C(C=C2)Cl)Cl)OC(F)F 1 4.49 1 4 -6.35118702979237 2398944 CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3 1 3.027 2 5 0 -20.0467721728068 2398938 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NNC(=N3)N 1 2.602 5 1 -3.01259626812912 2398937 C1=CC(=CC=C1C(=O)CCCSC2=NN=C(S2)N)Br 1 3.214 3 1 -7.92885865343605 2398858 CCCC1=CC(=O)N=C(N1)SCC2=NC3=CC=CC=C3S2 1 3.808 3 1 -8.68903927847257 2398852 CCNC(=O)COC(=O)C1=CC(=CC=C1)Br 1 1.842 1 3 0 -11.0825033769703 2398837 CCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl 1 3.427 5 3 0 -23.7240827243037 2398833 CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NCC3=CC=C(C=C3)OC)C 1 3.548 3 2 -2.70764745941945 2398771 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C(=O)C4=C(C3=O)C(=CC=C4)N 1 2.054 3 5 0 -19.173671047135 2398767 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3C(=O)C4=C(C3=O)C(=CC=C4)N)Cl 1 2.719 3 5 0 -17.2623682395605 2398758 C1CCC(C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F 1 3.378 1 4 -7.12762888608828 2398747 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC(=O)NC(C)(C)C 1 0.576 3 5 0 -17.9089321077509 2398606 CC(C)CSC1=NN=C(O1)C2=CC=C(C=C2)OC 1 3.388 2 2 -5.75631572641809 2398727 C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F 1 2.906 3 4 0 -10.4123387737372 2398692 COC1=C(C=C(C=C1)CNC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Br)OC 1 3.512 1 5 -11.7317337482805 2398631 CC1=CC=CC=C1NC(=O)COC(=O)CN2C(=O)C(NC2=O)(C)C 1 0.671 3 5 0 -15.4868445188833 2398636 C=CCNC(=O)CSC1=NN=C(N1C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3Br 1 5.352 4 1 -12.9032308505407 2398642 C1=CC=C(C(=C1)/C=C/C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)Cl 1 2.487 2 5 0 -12.7537796860095 2398669 CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)CSC3=CC=CC=[N+]3[O-] 1 4.144 2 3 -3.5206766467858 2398544 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=S)NC(=O)C4=CC=C(C=C4)Cl 1 3.607 6 2 0 -6.67185831502478 2398492 CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NCCCN(C)C)C(=O)OC 1 1.217 2 6 0 -11.0608530801915 2398458 C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)OC(F)F 1 3.815 1 3 1.82965424399819 2398446 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5 1 5.328 5 4 0 -1.68319747698133 2398417 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC(=O)N 1 0.812 2 7 0 -13.6982232203183 2398413 C1CC2=C(C1)C=C(C=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4O 1 3.4 3 2 -3.64915672113303 2398404 C1COCCN1C2=NC(=C(S2)C=NNC(=O)C3=CC=CC=C3F)C4=CC=CC=C4 1 3.354 4 2 -2.769163955484 2398361 CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC3=CC=C(C=C3)C#N 1 2.547 5 4 0 -12.797107537936 2398339 CCC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=O)N(C2=O)CC3=CC=CC=C3 1 2.492 3 4 0 -8.5682729257255 2398321 C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)F)F 1 2.578 2 3 -1.04254314164015 2398303 C1CN(CC2=CC=CC=C21)CC3=C4C=CC=NC4=C(C=C3)O 1 3.506 2 1 2.31545992144449 2398263 CCNC(=S)NN=CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)OC)OC 1 3.167 4 4 0 -16.3958986370144 2398254 CC1=CC=C(O1)C=NNC(=S)NC2CCCCC2 1 3.63 3 1 -7.16739822824467 2398248 CC1=CC=C(S1)C=NNC(=S)NCC=C 1 2.947 3 0 -8.07734397594789 2398145 CCC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)F)C(=O)C3=CN(N=C3)C4=CC=CC=C4 1 5.228 3 3 -2.60526937373465 2398132 CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NCC(=O)O)C(=O)OC 1 0.497 1 8 0 -13.9443041807203 2398127 CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NCCC(=O)O)C(=O)OC 1 0.745 1 8 0 -14.949909804633 2398123 CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=CC=CC=C3)C 1 3.655 2 3 -13.9256990276607 2398118 CC(C)NC(=S)NN=CC1=CC=C(C=C1)C(=O)OC 1 2.813 3 2 -13.4591654313433 2398100 C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(C=C3)N 1 3.259 3 0 4.42628053768625 2398093 COC1=CC=CC=C1C2=NNC(=S)N2CC3=CC=CO3 1 2.85 3 2 -4.58454466130604 2398074 CCCCNC1=C(N(C(=O)NC1=O)CCC)N 1 0.411 4 2 0 -8.21686522976364 2398070 C1=CC2=C(C=C1C(=O)O)NC(=NC2=O)CCl 1 0.991 2 3 0 -5.28863897355874 2398060 CCCN1C(=C(C(=O)NC1=O)NCCN2CCOCC2)N 1 -1.092 5 3 0 -9.61840983186379 2398056 CC1=C(SC(=N1)N2CCCCC2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.823 3 3 -4.99111719050258 2398047 CCNCC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC 1 0.615 3 3 0 -7.08438129234888 2398045 CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)N 1 3.256 1 2 -2.62416829336564 2398042 CC1=C(SC2=C1C(=S)NC(=N2)CN3CCOCC3)C 1 1.84 3 1 0 -7.44694077830361 2398036 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4NC3=S 1 3.296 3 3 -17.4321262343317 2398027 C(CC1=C(C(=NN1)N)C#N)CN 1 -0.302 5 0 0 -3.57839075578857 2398025 C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=CO3)N 1 2.477 1 3 2.96616459863656 2397966 COC1=C(C=C(C=C1)CNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC 1 1.301 3 5 0 -25.91988317646 2397963 COC1=CC=CC=C1OC2=NC=NC3=C2OC4=CC=CC=C43 1 4.066 2 3 4.55609029249055 2397950 CC(C)NC(=O)COC(=O)/C=C/C1=CC=C(C=C1)SC 1 2.481 1 3 -10.419136871004 2397931 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2OC(F)F 1 2.038 2 6 0 -19.3710927051697 2397921 C1COCCN1CCNC(=S)NN=CC2=CC=C(C=C2)C(=O)O 1 -1.347 4 3 0 -12.767478220364 2397909 COC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=CC=C2OC(F)F 1 3.11 1 5 -10.8214260911447 2397908 CCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC)Cl 1 2.103 5 3 0 -26.3640772829561 2397897 CC(C)N(C(C)C)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC 1 3.08 2 6 0 -18.5542092080417 2397860 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.133 3 4 0 -11.5590454185381 2397848 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=O 1 3.338 3 5 0 -13.2009146537676 2397841 CC(C)(C)C1=CC=C(C=C1)OCCC(=O)NC2=NCCS2 1 3.586 2 2 -9.9851278924604 2397837 CC(C)(C)NC(=O)COC(=O)C1=CC=C(C=C1)NC(=O)CC#N 1 0.856 3 4 0 -21.6004802345665 2397792 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3OC(F)F 1 3.621 2 6 0 -15.8820923719556 2397789 CCOC1=CC=CC=C1NC(=O)COC(=O)COC2=C(C=C(C3=C2N=C(C=C3)C)Cl)Cl 1 4.287 2 5 0 -11.9127538527204 2397783 C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC=CC=C2OC(F)F 1 3.618 1 4 -11.6456630036411 2397780 CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)Cl)CC4=CC=CC=C4 1 4.205 3 3 -13.2315624529933 2397772 CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)OC 1 1.79 3 7 0 -24.435244933895 2397747 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)C(=O)O)C 1 3.745 4 3 0 -14.5087444016179 2397739 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 3.082 1 5 -12.5534526161803 2397735 C1=CSC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)Br 1 2.702 1 4 -15.7838770320727 2397734 CN(CCC#N)C(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3 1 1.862 4 4 0 -16.9553821478921 2397719 CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=C(C(=C(S4)C)C)C(=O)N3 1 4.042 4 2 -19.2835392795087 2397705 COC1=CC=CC=C1OC(=O)C2=C(C=C(C=C2)SC)OC 1 3.771 0 4 -2.29059696460398 2397695 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)Br)Br 1 3.818 1 3 -9.88229450472812 2397680 CC(C)[C@@H](C(=O)OCC(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)NC(=O)C2=CC=CC=C2 1 4.315 2 4 -19.7098693533623 2397650 CCCCNC(=S)NN=CC1=CC=C(S1)C 1 3.659 3 0 -8.23042643253986 2397637 CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=C(N=CC=C3)Cl 1 3.602 5 1 -14.0679790447597 2397636 CC(C)(C)C1=CC=C(C=C1)C=NNC(=S)NC2CCCCC2 1 5.49 3 0 -4.29030921832153 2397614 C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2Br 1 3.07 1 3 -10.6348652856922 2397585 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CS2)OCC#N 1 2.234 2 5 0 -21.16999619993 2397565 CN(CCC#N)C(=O)COC(=O)/C=C/C1=CC=CS1 1 1.351 2 3 0 -13.1522913110652 2397550 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)/C=C/C3=CC(=C(C=C3)OCC#N)OC 1 1.58 4 6 0 -25.67117050117 2397432 CC(C)OC1=CC=CC=C1C=NNC(=O)C2=CC=CC=C2Cl 1 4.057 2 2 -6.06259978412654 2397430 C1=CC=C(C=C1)C[C@@H](C(=O)OCC#N)N2C(=O)C3=CC=CC=C3C2=O 1 2.34 2 4 -11.9900250803953 2397429 COC(=O)C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=C2Cl 1 3.203 2 3 -7.97580338944373 2397396 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2 1 1.417 3 5 0 -22.25154755916 2397376 C1=CC=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3Br)[N+](=O)[O-])Br 1 4.28 3 4 0 -3.20891054926443 2397372 C1=CC(=CC=C1C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)Cl 1 3.652 2 4 -12.6447614349002 2397357 CCCCC(=O)OCC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C 1 3.077 1 5 -16.1552929155357 2397354 C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC=CC=C2Br 1 3.537 1 3 -7.29807321839979 2397339 C1=CC=C(C(=C1)CSC2=C(C=CC=N2)C(=O)O)C(=O)O 1 2.603 1 4 -10.0096542921398 2397332 C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC=C3C(=O)O 1 3.013 4 2 -19.2129596977054 2397328 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C)NC(=S)NC2=CN=CC=C2 1 3.516 4 2 -12.3113903815967 2397314 CC1=CC(=C(C=C1)NC(=S)NC2=CN=CC=C2)S(=O)(=O)N3CCCCC3 1 3.736 4 2 -15.3107389216046 2397295 CN(C)CCN1CC(=O)C(=C1N)C2=NC3=CC=CC=C3S2 1 1.624 4 1 0 -1.77780830641435 2397293 COC1=CC(=C(C=C1)C(=O)NC2=CC=CC=C2CC3=CC=CC=C3)OC 1 4.556 1 3 -5.56270754117736 2397286 CCNC(=S)NN=CC1=C(N(C(=C1)C)C2=CC=C(C=C2)Cl)C 1 4.412 4 0 -5.06105971595074 2397260 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54 1 5.163 3 4 0 -8.88042300765689 2397259 CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC(=C3)Cl)Cl)[N+](=O)[O-] 1 3.774 5 5 0 -19.7704043714108 2397221 C1C(=O)C(=C(N1NC(=O)C2=CNC3=CC=CC=C32)N)C4=NC5=CC=CC=C5N4 1 1.643 6 2 0 -3.8134491632977 2397189 CCC(=O)C1=CC=C(C=C1)OC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 4.087 0 6 -10.7975735643984 2397176 COC1=CC=CC(=C1OC)C(=O)NCCN2C(=O)/C(=C\C3=CC=CS3)/SC2=O 1 2.925 2 5 0 -14.070276986628 2397165 CC1=CC(=C(C=C1)Cl)NC(=O)CN2CCN(CC2)C=O 1 1.245 3 2 0 -4.28432642018341 2397135 CCC(C)(C)NC(=O)/C=C/C1=CC=CC=C1[N+](=O)[O-] 1 2.855 2 3 -7.84972440102181 2397106 COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N4C2=NNC4=S 1 3.394 4 2 -8.89147329168392 2397105 COC1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC=CO3 1 2.85 3 2 -3.16156134291272 2397058 C1=CC=C(C=C1)CCNC(=S)NN=CC2=C(C=CC=C2Cl)Cl 1 5.465 3 0 -8.79276058364855 2397017 CC1=CC(=C(C=C1)C)C=NNC(=S)NC(C)C 1 3.93 3 0 -7.13712404673238 2397014 COC(=O)C1=CC=C(C=C1)C=NNC(=S)NCCN2CCOCC2 1 1.913 4 3 0 -13.887327268996 2397010 CC(C)NC(=S)NN=C1C2=CC=CC=C2C3=CC=CC=C31 1 4.291 3 0 -12.3343602892203 2397007 CC1=NC=C(N=C1)C(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 2.36 3 1 -11.8370444491742 2397006 CCC1=NN=C(S1)NC(=O)C2=NN3C(=CC=NC3=N2)C 1 0.811 7 1 0 -18.1363899931404 2396989 COCCNCC1=CC=CC=C1 1 1.236 1 1 0 -1.77129428889846 2396939 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CN=CC=C2 1 2.673 5 3 0 -24.5359919282862 2396926 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC(=S)N(CCO)CC2=CC=CC=C2 1 3.306 3 4 0 -18.7199468044208 2396891 CC(C)N(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC(=CC(=C2)OC)OC 1 4.724 2 3 -12.4477011640486 2396885 CC1=CC=CC=C1C(=O)NC(=S)N(CCO)CC2=CC=CC=C2 1 3.977 2 2 -11.1774633835078 2396843 C1=CC(=C(C=C1Cl)NC2=NC3=C(O2)C=CC(=C3)Cl)C(=O)O 1 3.768 2 3 2.64055813194397 2396841 CC1=NC2=CC=CC=C2C3=C(C4=CC=CC=C4N13)N 1 2.78 3 0 2.05542399883395 2396811 C1=CC(=CC=C1NC(=S)NC2=CC3=C(C=C2)C=NN3)Cl 1 4.675 4 0 -2.26926271249531 2396810 CCC1=C(C(=CC=C1)CC)NC(=S)NC2=CC3=C(C=C2)C=NN3 1 5.895 4 0 -5.41763469224107 2396808 CC1=CC(=CC(=C1)NC(=S)NC2=CC3=C(C=C2)C=NN3)C 1 4.983 4 0 -4.78224340614549 2396799 CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C=NN3 1 3.75 4 1 -8.67918275914759 2396796 CCOC1=CC=CC=C1NC(=S)NC2=CC3=C(C=C2)C=NN3 1 4.343 4 1 -8.76412294429413 2396793 C1=CC(=CC=C1NC(=S)NC2=CC3=C(C=C2)C=NN3)OC(F)F 1 4.816 4 1 -2.10031757867701 2396781 CC(C)(C)NC(=O)COC(=O)C1=C(C=C(C=C1)Cl)O 1 2.098 1 4 -9.54207776756307 2396761 C1=CC=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)C=NN3 1 3.739 4 0 -8.39788416480329 2396759 CCNC(=S)NC1=CC2=C(C=C1)C=NN2 1 2.504 4 0 -8.02962455481922 2396757 CC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C=NN3 1 4.496 4 0 -4.09126140308213 2396755 C1=CC2=C(C=C1NC(=S)NC3=C(C=C(C=C3)Cl)Cl)NN=C2 1 5.339 4 0 -2.74647579163738 2396753 CCCCNC(=S)NC1=CC2=C(C=C1)C=NN2 1 3.484 4 0 -11.2114475283986 2396750 C1=CC=C(C(=C1)NC(=S)NC2=CC3=C(C=C2)C=NN3)Cl 1 4.675 4 0 -4.43849317643271 2396748 CCC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C=NN3 1 4.952 4 0 -4.33069953886122 2396745 C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C=NN3 1 4.01 4 0 -4.41029564146712 2396743 C1=CC(=CC(=C1)Cl)NC(=S)NC2=CC3=C(C=C2)C=NN3 1 4.675 4 0 -1.56190162014693 2396742 C=CCNC(=S)NC1=CC2=C(C=C1)C=NN2 1 2.772 4 0 -10.9723457026025 2396713 COC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.501 2 6 0 -18.9534610142852 2396709 CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2CCCC2 1 2.662 3 3 -8.59170753104444 2396698 C1=CC=C(C=C1)CN(CCO)C(=S)NC(=O)C2=C(C=C(C=C2)F)Cl 1 4.361 2 2 -5.23629252316364 2396683 C1=CC(=C(C=C1F)Cl)C(=O)NC(=S)NN2C=NN=C2 1 1.905 5 1 0 -5.7295621717672 2396677 C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NC(=O)C=C(N3)N 1 1.928 4 2 0 -18.5983485829271 2396661 C1=CC(=CC(=C1)Br)C(=O)NC(=S)NN2C=NN=C2 1 1.783 5 1 0 -8.75842285534647 2396612 COCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=CC=CC=C2OCC(=O)NC3=CC(=CC=C3)F 1 1.842 3 5 0 -12.5717930254859 2396598 C1=CC=C(C(=C1)C(=O)OCC(=O)N)NC2=CC=C(C=C2)SC(F)F 1 3.453 2 3 -8.33772464621944 2396594 COC1=CC=C(C=C1)CNC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 3.047 1 5 -16.540071660264 2396569 CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)NC(=O)C)NC(=O)C2=CC=C(C=C2)F 1 2.034 3 5 0 -22.6308683400507 2396533 C1=CC=C(C=C1)OC2=CC=CC(=C2)NC(=O)CCl 1 3.043 1 2 -2.08384327478134 2396532 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 -1.e-003 4 6 0 -21.3702342221671 2396472 C1=CC=C(C=C1)NC2=CC=C(C=C2)OCC(=O)O 1 2.845 1 3 -4.60489411784723 2396477 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=C(C=CC=C2Cl)Cl)Br 1 4.399 1 3 -9.78626386583319 2396486 C1CCC(CC1)NC(=S)NNC2=CC3=CC=CC=C3C=C2 1 4.951 3 0 -2.36526741763216 2396501 CC1=CC(=NO1)NC(=O)COC(=O)C2CCC2 1 1.01 2 4 0 -15.9780260222974 2396440 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)O 1 1.816 2 5 0 -10.6933587025504 2396426 COC1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 3.72 1 5 -15.1985719821569 2396387 C1=CC=C2C(=C1)C(=O)N/C(=C/C#N)/S2 1 1.887 2 1 0 -4.76844194878505 2396382 C1=CC(=C(N=C1)Cl)C(=O)OCC2=CC=C(C=C2)Cl 1 3.656 1 2 -1.12222377667701 2396315 CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)OCC(=O)NC3=CC=C(C=C3)C#N)Cl)Cl 1 3.833 3 4 0 -10.4939550632099 2396308 CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=C(C=C3)OC 1 4.155 1 6 0 -19.5170795384439 2396297 CC1=C(C(=CC=C1)C)OCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 2.538 1 6 0 -13.9782187876695 2396284 CC(C)[C@@H](C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] 1 2.405 2 5 0 -19.1617551325097 2396278 C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.408 1 4 -6.84993122989657 2396240 CC1=C(C=C(C=C1OC)C(=O)OCC(=O)NC2=C(C=CC=C2F)F)OC 1 3.186 1 5 -9.69952223441556 2396236 CC1=CC(=NC(=N1)NC(=O)CSC2=NC3=CC=CC=C3S2)C 1 2.941 4 1 -11.7064169548872 2396214 CC1=C(C(=CC=C1)OCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)C 1 1.05 3 6 0 -15.302506509006 2396181 CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32)OCC 1 3.446 2 6 0 -18.4759586514436 2396153 CC1=CSC(=NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)N1CC4=CC=CO4 1 1.923 3 4 0 -19.8525773339513 2396097 CC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)S(=O)(=O)NC3=CC(=CC=C3)Cl 1 3.441 2 4 -10.8586221056734 2396134 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CSC2=CC=CC=C2)N 1 0.635 3 5 0 -17.8916798343168 2396090 CCN(CC1=CC=NC=C1)CC2=C(C=CC3=CC=CC=C32)O 1 3.351 2 1 8.91067811634518 2396077 C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NCC3=CC=CO3 1 2.294 3 2 -12.8296745998579 2396037 C1=CC=C(C(=C1)/C=C(\C(=O)O)/SC2=NN=C(O2)C3=CC=C(C=C3)F)OC(F)F 1 4.602 2 4 -0.97304206254149 2396013 COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)N2CCCC2 1 1.362 1 6 0 -13.4774262370908 2395938 CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NCCN3C(=O)CSC3=O)C)C 1 3.685 3 3 -19.0533976697431 2395906 C1=CC=C(C=C1)N(C2=CC=CC=C2)NC(=O)CSC3=NNC(=N3)N 1 2.889 6 1 0 -8.86558171333765 2395900 C1=CC=C2C(=C1)N=CC(=N2)/C=C/C(=O)OCC(=O)NCC(F)(F)F 1 2.113 3 3 -9.78700952561487 2395826 C1CCC(CC1)NC(=O)NN=CC2=C(C=C(C=C2)OC(F)F)OC(F)F 1 4.484 3 3 -4.93103936538132 2395811 CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)C 1 4.658 1 5 -19.8215709701447 2395779 C=CCNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3 1 4.303 2 5 0 -22.8068381365955 2395749 CC1=C(N2C=CC=CC2=C1C=NNC(=O)OC)C(=O)C3=CC=C(C=C3)F 1 3.882 3 3 -6.95839132244666 2395744 C1COC2=C(O1)C=CC(=C2)C=NNC(=O)CNC3=CC=CC=C3 1 2.129 3 3 -11.7278775513403 2395730 CCN(CC(=O)C1=C(N(C(=O)N(C1=O)C)C)N)C2=CC=CC3=CC=CC=C32 1 1.806 4 3 0 -13.3524820493344 2395685 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)CN2C=NC3=CC=CC=C32 1 2.517 3 5 0 -19.2222165406042 2395675 CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC4=CC=CC=C43 1 3.975 4 2 -5.58045044243094 2395611 C=CCNC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC3CCCCC3 1 4.363 1 4 -10.7843833940573 2395610 CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)OCC 1 2.354 3 7 0 -19.7737835913223 2395593 CC1=NN(C2=C1C=C(S2)C(=O)C3=C(N(C(=O)N(C3=O)C)C)N)C4=CC=C(C=C4)Cl 1 2.749 5 3 0 -11.2497450680782 2395570 CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 4.569 3 1 -8.60081000629296 2395558 C1=CSC(=C1)CNC(=O)COC(=O)COC2=C(C=C(C=C2)Cl)Br 1 3.316 1 4 -12.2977413458029 2395555 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C 1 2.59 6 3 0 -23.8218617159214 2395547 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC(C)C 1 2.16 3 4 0 -13.7036663327445 2395532 CC1=NN(C(=C1)NC(=O)C2=CC=CS2)C3=CC=CC=C3 1 3.201 3 1 -7.87132113098642 2395518 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=CC=C(C=C3)C(F)(F)F)C 1 3.498 5 1 -5.31482815822515 2395513 CC1=CC(=C(C=C1)C)C(=O)NC2=CC(=NN2C3=NC(=CC(=N3)C)C)C 1 3.528 5 1 -8.81087317616024 2395512 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=CC4=CC=CC=C4OC3=O)C 1 2.585 5 3 0 -15.227600356181 2395511 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=C(C=CC=C3F)F)C 1 2.966 5 1 -10.5154231658748 2395510 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C 1 1.36 6 4 0 -25.7800444373711 2395463 COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)CN3C=NC4=CC=CC=C43 1 2.92 3 5 0 -22.545467117664 2395460 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=NC=CN=C3 1 1.821 4 1 0 -8.24293638412833 2395457 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN4C(=NN=C4S3)C5=CC=NC=C5 1 1.032 6 3 0 -17.5448891861851 2395456 COC1=CC=CC=C1OCC2=NC3=CC=CC=C3S2 1 3.657 1 2 -1.51495932103129 2395434 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=CC(=CC=C3)Cl)C 1 3.22 5 1 -6.57751950563442 2395390 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CN=C(C=C2)Cl)OC(F)F 1 2.85 2 4 -12.4646277431243 2395364 C1CCC(C1)CCC(=O)OCC(=O)NC2=CC=CC=C2OC(F)F 1 3.834 1 4 -12.2092823361431 2395342 COC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 3.513 2 3 -7.7485742718982 2395332 CCC1=NN=C(S1)NC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C 1 3.031 4 4 0 -18.8408130846718 2395331 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)CCC3=CC=C(C=C3)OC 1 1.889 3 5 0 -20.712998825279 2395273 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CN=C(C=N2)C)C 1 1.572 3 5 0 -17.1613575333913 2395269 CCOC1=C(C=CC=N1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.087 2 5 0 -12.6071342495091 2395259 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl 1 3.46 2 3 -15.9461823238632 2395254 C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=C(O2)Br 1 3.069 1 4 -13.7682052142316 2395252 COC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.108 1 6 0 -11.6884692647031 2395175 CC(=O)C1=CC=C(C=C1)OC(=O)/C=C/C2=C(C=CC(=C2)OC)OC 1 3.436 0 5 -7.93615912027555 2395152 CCCN1C2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C(=O)N(C1=O)CCC 1 4.952 3 2 -4.55079179458434 2395136 COC1=CC=CC=C1N(CC=C)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 4.423 3 5 0 -21.8058762569961 2395131 CCN(CC(=O)NC1=CC=C(C=C1)OC(F)F)C2CCCCC2 1 3.969 2 2 -5.98535297031693 2395124 COC(=O)C1=CC=C(C=C1)OC(=O)/C=C/C2=CC=CO2 1 2.98 0 5 -6.81548010105783 2395119 CCN1C2=C(C=C(C=C2)NC(=O)CNCC3=CC=CC=C3OC)C4=CC=CC=C41 1 4.035 3 2 -2.36406371520082 2395117 COC(=O)C1=CC=C(C=C1)OC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42 1 5.261 1 4 -6.08544029064991 2395075 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NN=CC4=CC=NC=C4 1 2.471 5 2 0 -8.5466004973575 2395074 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=COC4=CC=CC=C4C3=O 1 1.918 1 5 0 -6.03756622088368 2395052 CC1=CC=C(C=C1)CNC(=O)CCOC2=CC=C(C=C2)C(C)(C)C 1 4.591 1 2 -8.21789538456707 2395051 CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCC(CC3)C(=O)O)C4=CC=NC=C4 1 2.688 5 3 0 -14.4397152148085 2395045 CC1=CC(=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)C)C 1 4.025 4 3 0 -18.1148733836086 2394933 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(=O)C4=CC(=CC=C4)Br 1 4.504 3 3 -8.86951563528 2394928 C1=CC(=C(C(=C1)Cl)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=CN2)Cl 1 2.418 2 5 0 -9.9349356089808 2394891 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N3CC(=O)NC4=CC=CC=C43 1 1.416 4 5 0 -17.6141519592879 2394821 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2OC 1 2.362 1 5 -12.4588496499753 2394820 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)C3=CC=CS3 1 2.675 2 4 -13.8552210906423 2394818 COC1=CC(=CC(=C1OC)OC)CC(=O)OC2=CC3=C(C=C2)OCO3 1 3.015 0 7 0 -11.2167061693934 2394800 CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=CC=C3)OC(F)F)C 1 3.424 2 4 -9.83194446907391 2394799 COC1=CC=C(C=C1)CNC(=O)COC(=O)CCOC2=CC=CC=C2 1 2.395 1 5 -13.8756450112729 2394798 C1=CC(=C(C(=C1)Cl)S(=O)(=O)NCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl)Cl 1 2.136 3 5 0 -12.6141467393841 2394768 COC1=CC=C(C=C1)CNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.444 1 4 -7.94172302422915 2394762 COC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCC2=CC=CC=C2 1 2.395 1 5 -14.327910460565 2394755 C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCCC4=CC=CC=C43)CC5=CC=CS5 1 5.628 4 1 -22.4613994098274 2394739 CN1C=CC=C1C(=O)OCC(=O)NC(=O)NC2CCCCC2 1 1.974 3 4 0 -12.8800185050834 2394690 CCCN1C(=O)NN=C1SCC(=O)NC(=O)NC(C)(C)C 1 1.26 5 3 0 -21.8483304014825 2394683 CC1=C(C(=NO1)C)CSC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC 1 2.143 5 3 0 -17.0602770485001 2394658 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CN2 1 1.669 2 6 0 -14.4306956353358 2394618 C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4C#N 1 4.5 5 1 -13.1798259817766 2394603 C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 1.386 4 5 0 -14.7132608755037 2394599 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=NN=C(S3)C4CC4 1 2.458 3 4 0 -13.6681065333616 2394592 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=CC=C(C=C3)C#N 1 2.281 2 3 -8.21669945125237 2394574 C1=CC=NC(=C1)C(=O)OCC2=CC=C(C=C2)COC(=O)C3=CC=CC=N3 1 3.263 2 4 -5.25615270631059 2394541 C1CN(CC(=O)N1)C(=S)NC2=CC=C(C=C2)OC(F)F 1 2.732 3 2 -19.549023271751 2394539 C1COC2=C(O1)C=CC(=C2)SCC(=O)NC3=C(N=CC=C3)Cl 1 2.517 2 3 -8.97749517536277 2394531 C1COC2=C(O1)C=CC(=C2)SCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 3.511 2 3 -4.41627009014768 2394498 C=CCN1C(=NN=C1SCC(=O)N2CC(=O)NC3=CC=CC=C32)COC4=CC=C(C=C4)F 1 2.714 5 3 0 -23.4156317002503 2394470 CC1=NN=C(S1)SCC(=O)N2CC(=O)NC3=CC=CC=C32 1 0.755 4 2 0 -22.9034424884418 2394407 COC1=C(C=C(C(=C1)C(=O)OC)NCC(=O)NC2=CC=CC(=C2)C(F)(F)F)OC 1 3.039 2 5 0 -9.29565200297082 2394388 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=CC3=CC(=C(C=C3OC)OC)OC)C 1 4.067 4 4 0 -16.8743935988841 2394346 CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)C2=CC=CN2 1 3.954 1 3 -10.5925070628618 2394340 CCOC(=O)NC(=O)CSC1=NC2=CC=CC=C2C=C1 1 2.933 2 3 -6.88540442732777 2394306 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)C4=NN=C5N4CCCCC5 1 4.749 5 2 0 -13.2598695213858 2394298 COC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCCC2=CC=CC=C2 1 2.716 1 5 -13.7363569486993 2394296 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)O 1 1.236 2 7 0 -9.44137637684102 2394285 CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC=C(C=C3)O)C 1 2.376 2 4 -7.64741757591177 2394232 COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)OC 1 1.419 3 6 0 -16.5231254111872 2394228 C1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=C(C=C(C=C3)F)F 1 3.808 2 2 -1.50733245426906 2394180 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)CC3=C(C=C(C=C3)Cl)Cl 1 4.613 2 4 -0.678895752134136 2394158 COC1=CC=CC=C1OCCC(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 3.06 1 5 -14.7548983542898 2394155 C1CCC(=CC1)CCNC(=O)COC(=O)CC2=C(C=CC=C2Cl)Cl 1 4.436 1 3 -15.7286457078624 2394151 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC(=CN=C2)Br 1 2.67 2 3 -16.377668225511 2394148 COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)O 1 1.436 2 7 0 -6.08229460549688 2394132 C1CCC(CC1)N(C2CCCCC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 3.797 3 4 0 -11.1627555302996 2394116 COC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC(=CC=C2)Br 1 3.137 1 5 -8.11005593438962 2394115 CCNC(=O)CN1C(=O)C2(CCCCCC2)NC1=O 1 0.838 3 3 0 -10.4542901896247 2394104 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)NC3=CC(=CC(=C3)OC)OC)C 1 1.366 5 5 0 -18.7133027557978 2394103 COC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCC2=CC=C(C=C2)F 1 2.601 1 5 -12.8012185303202 2394083 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC(=CC=C2)Br 1 3.821 1 3 -15.3775401188683 2394076 COC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCCC2=CCCCC2 1 3.139 1 5 -16.4089943476535 2394070 C1CCC(=CC1)CCNC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Cl 1 4.204 1 3 -9.32090287625421 2394060 CC1=C(N(N(C1=O)C2=CC=CC=C2)C)C=O 1 1.033 2 2 0 -5.07788432412356 2394017 C1CC2=C(C1)C=C3C(=C2)C(=CO3)CC(=O)O 1 2.855 0 3 -5.42226477312068 2393962 CC1=CC=C(C=C1)NC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.288 3 5 0 -27.0989776095838 2393956 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4=CC=C(C=C4)Cl 1 1.473 3 5 0 -28.5086223659528 2393927 CC(C)N(CCN1C(=O)C2=CC=CC=C2NC1=S)C(C)C 1 3.733 3 1 -5.34918578255828 2393913 CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.702 2 6 0 -9.57325704677683 2393895 CN(CC(=O)NC1=CC=CC=C1Cl)C2CCCCC2 1 3.479 2 1 -8.11046013683321 2393878 CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl 1 1.966 1 4 0 -11.4781509215289 2393832 CC1=CC(=NN1C(=O)CCCCCCCC(=O)N2C(=CC(=N2)C)C)C 1 3.715 4 2 -9.90142984782735 2393775 CC1=CC(=O)NC(=C1C#N)SCC(=O)NC2=CC=CC=C2C#N 1 1.7 4 2 0 -17.0532525607756 2393755 COC1=CC=C(C=C1)C(NC(=O)C2=CC=CC=C2F)NC(=O)C3=CC=CC=C3F 1 4.072 2 3 -7.5330034765671 2393742 C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=CC=C3O 1 3.622 1 3 1.43820282452614 2393728 COC1=CC(=CC(=C1)NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)OC 1 2.498 1 7 0 -7.02856480390137 2393711 COC1=CC=C(C=C1)C2=NN=C(O2)S/C(=C/C3=CC=C(C=C3)Cl)/C(=O)O 1 4.239 2 4 2.75082089413463e-002 2393667 CC(C)N1C=C(C=C(C1=O)C#N)C(=O)C2=CC=CC=C2O 1 1.569 2 3 0 -5.03675986449354 2393612 COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)CCl 1 2.61 3 3 -4.43847818727994 2393609 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CCl 1 1.953 3 2 0 -9.54554537226832 2393576 CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)O)Cl)Cl 1 3.092 1 3 -3.99211357249571 2393574 CC1=NN(C(=C1C(=O)O)Cl)CC2=CC=CC=C2 1 2.434 2 2 -5.62001881627084 2393556 C=CCN1C(=O)C2=C(NC1=S)SC=C2 1 2.545 2 1 -8.85728018362878 2393539 CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C(=O)O 1 2.396 2 3 -15.5610102800588 2393519 CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)NN)Cl)Cl 1 1.973 3 2 0 -2.62226703584318 2393510 CCOC(=O)C1=C(C=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])N 1 2.945 2 4 -5.63956242825033 2393506 CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=NC(=C2)Cl)Cl 1 3.48 2 3 -15.1326159572644 2393504 CCCCN1C(=C(C(=O)NC1=O)NCC)N 1 -0.113 4 2 0 -7.5625230001974 2393503 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)C(=O)OCC(=O)NC2CCCC2 1 1.719 2 6 0 -19.9852355210578 2393485 CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)O 1 2.549 2 2 -12.6974112905355 2393479 CC1=NN(C(=C1C=NO)N2CCCC2)C3=CC=CC=C3 1 2.913 4 1 4.18096429979871 2393470 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)CCl 1 2.035 2 4 -12.574790552667 2393465 COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CCl 1 1.217 2 3 0 -7.28416494001409 2393456 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CO3)C4=CC=C(C=C4)Cl 1 5.128 2 3 -15.0151327081407 2393443 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)Cl 1 4.147 3 6 0 -16.4026878491599 2393360 COC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)C3=CC4=CC=CC=C4O3 1 4.134 3 3 -5.34463179815484 2393339 C1=CC2=C(C=CC=C2O)C(=C1)NC(=S)NC3=CC=C(C=C3)SC(F)F 1 6.396 2 1 -3.50727531123831 2393325 CCC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 4.172 4 1 -13.131220587118 2393314 CCOC1=CC=C(C=C1)NC(=S)NNC2=C3C=CC(=CC3=NC=C2)Cl 1 5.222 4 1 -2.61870644228639 2393296 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O 1 1.343 2 5 0 -17.0661910519507 2393263 CC1=CC(=C(C=C1)N2C=CNC2=S)C 1 3.059 2 0 -1.04098509276183 2393254 C1=CC=C(C(=C1)CC2=NNC(=S)N2N)F 1 1.644 4 0 0 -7.79000175334742 2393211 COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)F 1 2.683 1 6 0 -11.9159505535176 2393169 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5 1 4.122 3 3 -15.1149258804418 2393151 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5 1 2.406 6 1 0 -1.98610875010648 2393143 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.644 5 2 0 -16.5559698554195 2393126 CC(C)NC(=S)NC1=CC2=C(C=C1)NC(=O)N2 1 2.101 4 1 -20.1288234631892 2393120 C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC(=C3)C(F)(F)F)C(=O)O 1 3.971 3 2 6.96304067305598 2393080 COCCNC(=S)NC1=CC2=C(C=C1)NC(=O)N2 1 1.244 4 2 0 -20.7273948800251 2393078 C1=CC=C2C(=C1)C(=NC=N2)OCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.106 4 4 0 -4.03792820182922 2393049 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=NC=NC4=CC=CC=C43 1 1.352 4 5 0 -18.4464656100309 2393027 COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N 1 3.41 3 6 0 -18.8979472296969 2392997 CN1C(=CC=C(C1=O)NC(=O)C2=CC=C(C=C2)OC)C(F)(F)F 1 1.527 2 3 0 -5.67528085662357 2392995 COCCN1C(=CC=C(C1=O)NC(=O)C2=CC=CC=C2)C(F)(F)F 1 1.412 2 3 0 -8.32834967018539 2392965 C1=CC(=CC=C1N)S(=O)(=O)N=C2N(C=CS2)CC(=O)N 1 -1.125 4 3 0 -10.8241204050148 2392923 CC\1(C2=CC=CC=C2N(/C1=C\C=NNC(=O)C3=CC=C(C=C3)O)C)C 1 3.328 3 2 8.01191474121071 2392887 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCCCC(=O)O)C3=CC=CO3 1 3.403 4 4 0 -21.9199514341804 2392859 CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC(=O)N3CCC(CC3)C(=O)O)C4=CC=NC=C4 1 3.352 5 3 0 -12.7814695294512 2392851 COC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)OC 1 4.218 4 5 0 -15.5467381303566 2392841 CC1=C(C(=CC=C1)C)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC(=CC=C4)S(=O)(=O)N(C)C 1 4.34 5 5 0 -19.6805561779989 2392805 C1=CC(=C(N=C1)Cl)C(=O)OCC2=CC=C(C=C2)F 1 3.197 1 2 -1.4162164402801 2392799 CN(CCC#N)C(=O)COC(=O)C1=C(C=CC(=C1)SC)Cl 1 2.136 2 3 -10.8787447924131 2392774 COCCN1C(=NN=C1SCC2=CC(=C(C=C2)OC)F)C3=CC=NC=C3 1 2.899 4 2 -12.3829977638755 2392760 CSC1=CC=CC=C1NC(=O)COC(=O)CCC2=CC=CC=C2 1 3.354 1 3 -15.693341121825 2392716 C1=CC=C(C(=C1)C(=O)CSC2=NC=CC=N2)Br 1 3.118 2 1 -3.92320467517909 2392703 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 -4.2e-002 4 6 0 -23.2414418146897 2392645 CC(=C)C=NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 2.262 4 3 0 -23.6355713372307 2392642 C1=CC(=CC=C1NC(=S)NN=CC2=CC(=C(C=C2)F)F)F 1 4.702 3 0 -4.19622092240704 2392640 C1=CC(=C(C=C1C=NNC(=S)NC2=C(C=C(C=C2)F)F)F)F 1 4.908 3 0 -3.79548807355861 2392599 CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(O2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C#N 1 5.503 2 4 -2.67169585433007 2392583 COC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC=NC4=C3C=NN4 1 2.18 5 3 0 -21.8349458934926 2392581 CC1=CC(=NC(=N1)C(C)C)SCNC(=O)C2=CC=CC=C2 1 3.338 3 1 -8.49849609465241 2392563 CCC1=CC=C(C=C1)C2=CC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC(=C(C=C4)OC)OC 1 4.739 3 4 0 -8.21907674619486 2392552 CCOC1=CC=CC=C1C2=CC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4 1 4.162 3 3 -7.84491198390371 2392529 CN1C2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC(F)F)C(=O)N(C1=O)C 1 4.635 3 3 -1.93549295591075 2392497 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=NC=CN=C3C(=O)O 1 1.421 4 3 0 -14.6408819380355 2392489 COC1=C(C2=CC=CC=C2C=C1)C=NN3C(=O)CSC3=S 1 3.687 2 2 -2.15385278126043 2392480 C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NC=CC(=O)N3 1 2.305 2 3 -4.89092574999549 2392479 CC1=CC(=O)N=C(N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 1.013 3 4 0 -13.1026983813667 2392476 CC1=CC(=O)N=C(N1)SCC(=O)NN(C2=CC=CC=C2)C3=CC=CC=C3 1 3.409 4 2 -19.7301677176025 2392475 CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.409 4 5 0 -34.8468022781377 2392473 C1=CC=C(C=C1)N(C2=CC=CC=C2)NC(=O)CSC3=NC=CC(=O)N3 1 2.895 4 2 -14.592868518398 2392420 CC1=CC=NC2=NC(=NN12)C(=O)OCC(=O)NCC=C 1 0.156 5 3 0 -21.420398052116 2392415 CC1=C(C(=NO1)C)CSC2=NC3=CC=CC=C3S2 1 3.462 2 1 -9.08435979948779 2392412 CC1=CC=C(S1)C(=O)NCC(=O)O 1 0.618 1 3 0 -9.82871752212051 2392338 C1=CC(=C(C=C1Cl)Cl)NC(=S)NN2C=NN=C2 1 2.964 5 0 -3.37216646175132 2392339 C1=CSC(=C1)C2=C(OC(=C2C#N)N)C3=CC=CS3 1 3.425 2 1 -0.649571574434667 2392341 CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)N 1 3.918 1 2 5.50811391029834 2392391 CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CCl 1 0.987 3 3 0 -8.40634504543476 2392389 COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCCC2=CC=CC=N2 1 1.25 2 5 0 -12.1780679978286 2392387 CCOC1=CC=C(C=C1)OCCCC(=O)O 1 2.196 0 4 -7.42324170980003 2392375 C1=CC=C2C(=C1)NC(=N2)CC(=O)C3=CC=C(C=C3)Br 1 3.939 2 1 -0.888220781873337 2392367 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)O 1 1.091 7 2 0 -17.7192308526167 2392364 CN(C)CCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC 1 -2.542 2 5 0 -10.3506974294072 2392326 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C3=NNC(=S)N3CC4=CC=CC=C4 1 4.156 4 3 0 -4.3877773603406 2392315 CN(CCC1=CN=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC 1 1.314 2 5 0 -11.5814758509774 2392254 CCN(CC1=CC=CC=C1)C(=O)CC(=O)N(CC)CC2=CC=CC=C2 1 3.039 2 2 -7.9008552144032 2392249 CCCCN(C1=NC2=CC=CC=C2N=C1Cl)S(=O)(=O)C3=CC=C(C=C3)C 1 5.215 3 2 -6.08923269057805 2392243 CC1=NC(=NC=C1)NC(=O)C2=CC(=C(C=C2Cl)F)F 1 2.714 3 1 -6.83058034700821 2392236 COC1=CC=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)N 1 3.569 1 2 5.99640939332638 2392235 CN(CC1=CC=CC=C1)C(=O)CC(=O)N(C)CC2=CC=CC=C2 1 2.341 2 2 -5.83702390241728 2392234 COCCOC1=C(C=C(C=C1)C(F)(F)F)N 1 1.878 1 2 0 1.81855272477031 2392214 C1=CC=C(C=C1)CCCNC(=O)CSC2=NC=NN2 1 2.094 4 1 -17.6837204709337 2392213 CCOC(=O)C1=C(N=C(S1)NC(=O)C2CC2)C 1 1.483 2 3 0 -10.5996847603046 2392189 CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F 1 1.829 2 6 0 -25.4960109109167 2392142 CC(C)NC(=O)NC(=O)COC(=O)C1=CC=[N+](C=C1)[O-] 1 -0.744 3 5 0 -18.8494511647834 2392140 CC(C)(C)NC(=O)NC(=O)COC(=O)CCC1CCCCC1 1 2.62 2 4 -16.9416936360489 2392043 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC=CC=N2)C 1 2.44 2 5 0 -13.2610064445266 2392034 CC1=CC=CC=C1NC2=NN=C(S2)SC 1 2.786 3 0 -3.74182897039005 2392077 COC1=CC(=C(C=C1)OC)/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3 1 4.317 1 6 0 -4.03508188667597 2391994 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=C3C(=O)O)C 1 3.745 4 3 0 -13.966710159908 2391995 C1CCC(=CC1)CCNC(=O)COC(=O)CNC(=O)C2=CC=CC=C2F 1 2.337 2 4 -21.2368014340025 2392026 CC1=CC=CC=C1NC(=O)C2=CC(=CN(C2=O)C3=CC=CC=C3C)C(=O)C4=C(C=CC(=C4)Cl)O 1 4.962 2 4 -4.84201128352737 2392023 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl)C 1 3.55 2 6 0 -14.4302422078492 821137 CCON1C2=CC=CC=C2N(C(=O)C1=O)O 1 0.464 2 4 0 -2.80872718104556 821135 CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=CS3)[O-] 1 1.932 2 3 0 -8.97835659027291 821124 CC1=CC=C(C=C1)CNC(=O)CC2=CC=C(C=C2)Br 1 3.891 1 1 -8.67124893348099 821120 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.478 3 5 0 -6.46433519841874 821112 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2=CC=C(C=C2)Cl 1 3.191 2 4 -7.30482365547719 821108 COC1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)SC)OC 1 3.13 1 3 -5.76116218356758 821106 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2=CC=C(C=C2)OC 1 2.574 2 4 -7.31281812090931 821089 C1=CN2C=C(N=C2N=C1)C3=CC=C(C=C3)N 1 1.385 4 0 0 2.92150808378001 821056 CCN(CC1=CC=CC=C1)C(=O)C2=C(C=C(C=C2)SC)OC 1 3.701 1 2 -7.78997481587671 821054 COC1=CC=CC=C1CNC(=O)C2=C(C=C(C=C2)SC)OC 1 3.13 1 3 -7.50958480796226 821052 COC1=C(C(=C2C(=C1)C=C(N2)C(=O)O)OC)OC 1 1.995 1 5 0 -2.03347449604992 821003 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=NC4=CC=CC=C4S3 1 3.476 2 3 -2.50102118922834 821030 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC=C2F 1 2.789 2 3 -6.79040543591636 821019 C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)Cl)Br 1 4.062 1 1 -2.41344991213766 821015 CCOC(=O)C1=CN2C(=CC=CC2=N1)C 1 1.485 2 2 0 -4.69100598389573 820989 CC1(OCCCO1)CC(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 -9.5e-002 2 5 0 -9.77610576921755 820980 CN(C)C1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 1.858 3 3 0 -9.44000158026716 820979 CN1C=CN=C1COC2=CC=C(C=C2)C=O 1 1.442 2 2 0 -3.08288376224498 820973 CC(C)(C)NC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O 1 2.907 1 3 -11.538168998675 820960 CCC(=O)NN=CC1=CC=C(O1)C2=CC=C(C=C2)Cl 1 3.555 2 2 0.135432791156502 820959 C1=CC=C(C=C1)/C(=C/C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])/C(=O)O 1 4.505 1 5 -2.7716751890486 820947 CN1C=CN=C1COC2=CC=C(C=C2)C=NO 1 1.51 3 2 0 2.09133919308044 820940 C1CC2=[N+](N(N=C2C3=NON=C31)C4=CC(=C(C=C4)Cl)Cl)[O-] 1 2.686 5 2 0 -1.18038041544019 820933 C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)C=O 1 2.705 2 1 -2.29255392613382e-002 820872 COC(=O)C1=C2C=CC=CN2C(=C1C(=O)OC)C(=O)C3=CC=CC=C3 1 3.068 1 5 -8.47884286879366 820869 C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3 1 2.839 3 2 -14.5010913571021 820838 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3Cl)NN 1 2.85 4 0 7.92734133077729 820833 C1CN(CCC1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N5C3=NN=C5 1 3.979 5 0 9.70834370372283 820823 COC1=C(C=CC(=C1)O)C(=O)CCC2=CC=C(C=C2)O 1 3.224 0 4 3.38340573778328e-002 820822 COC1=NC(=NC2=CC=CC=C21)C3=C(C=C(C=C3)Cl)Cl 1 4.859 2 1 7.71786526392317 820817 CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 1.896 5 0 0 11.4933659974727 820816 COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)NN 1 2.023 5 2 0 0.166082750400413 820800 CN1C=CC(=N1)C(=O)NN=CC2=CN=CC=C2 1 0.611 5 1 0 -7.88847369040246 820797 CC1=CC=CC2=C1NN=C2 1 1.96 2 0 0 2.02363109507385 820785 C1CCCN(CC1)C(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CS3 1 2.922 2 3 -17.3935607837316 820782 C1COCCN1C(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CS3 1 1.795 2 3 0 -19.1359995152038 820781 CC(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl 1 1.47 1 3 0 -8.22668746118583 820765 CC1=CC=C(C=C1)C2=CSC(=S)N2 1 3.124 1 0 -0.410535932305504 820745 CC(C)C1=NC2=C(N1)C=C(C=C2)C(=O)O 1 2.365 2 2 -1.45510564410865 820709 COC1=CC=C(C=C1)C(=O)CC2(CCCCC2)C(=O)O 1 3.275 0 4 -3.41957756995758 820661 CC1=NC(=O)C(=C(N1)NC2=CC=C(C=C2)Cl)C#N 1 1.823 4 1 0 -1.3851157876622 820660 CSC1=NC(=O)C(=C(N1)NC2=CC=C(C=C2)Cl)C#N 1 3.024 4 1 -3.12129084024863 820639 CN1C=CC=C1C2=NNC(=C2)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.851 6 3 0 -10.3893286272401 820623 COC1=CC(=NC(=N1)OC2=CC=CC=C2C=O)OC 1 2.937 2 4 -5.32289818066624 820616 CN1C=CC=C1C2=NNC(=C2)C(=O)NN=CC3=CC=C(C=C3)F 1 3.162 5 1 -7.58305381441763 820580 CC1=C(C=C(C=C1)[N+](=O)[O-])NCC(=O)NN 1 0.381 4 3 0 -6.48865806136698 820574 C1CCN(C1)C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4 1 3.859 3 0 9.46611536161077 820504 C1CN(CCN1C=O)C(=S)NC(=O)C2=CC=C(C=C2)Cl 1 2.25 3 2 -9.80855343303788 820340 CC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 4.16 2 1 -6.06335369811593 820332 C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.799 3 2 4.18158637310859 820317 CCOC1=C(C=CC(=C1)C=NOC(=O)C)OCC2=CC=CC=C2 1 3.379 1 4 -5.48624974681167 820311 CC(=O)N1CCN(CC1)C2=NC(=O)C(=C3CCCCC3)S2 1 2.036 3 2 -8.59756860943749 820250 CC1=CC2=NC(=C(C=C2C=C1)CCl)Cl 1 3.976 1 0 6.65205366119181 820269 COC1=CC=CC2=C1C3=C(C2=O)C=CC=C3O 1 2.664 0 3 3.10299630720023 820268 COC1=CC=CC2=C1C3=C(C2=O)C=CC=C3C(=O)O 1 2.535 0 4 -2.93943802685859 820259 COC1=C2CCCN3C2=C(CCC3)C=C1C=O 1 2.796 1 2 -4.03563560770583 820193 CC1=CSC(=N1)NC(=O)C2=CC=CNC2=O 1 -0.3 3 2 0 -10.6336721174917 820192 C1=CNC(=O)C(=C1)C(=O)NC2=NC=CS2 1 -0.582 3 2 0 -11.2723867953329 820172 COC1=CC=CC(=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C=O 1 2.708 2 3 -6.20693760855353 820165 C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C=O 1 2.271 2 2 -8.65520253814842 820161 CC1=C(C2=CC=CC=C2N1CC3=CC(=CC=C3)F)C=O 1 4.023 1 1 0.56887491068717 820147 CCC1=CC=CC(=C1NC(=S)NCC2=CC=CC=C2)C 1 5.524 2 0 -9.00458444121731 820146 CC1=C(C=C(C=C1)NC(=S)NCC2=CC=CC=C2)C 1 5.068 2 0 -7.97071116003202 820144 CC1=CC(=C(C=C1)C)NC(=S)NCC2=CC=CC=C2 1 5.068 2 0 -8.49699818961787 820136 CC1=CC=C(C=C1)N(CCO)C(=S)NC2=CC=CC=C2 1 4.667 2 1 -4.40787681125158 820130 C1CCSC(=NC1)NC2=CC=CC3=CC=CC=C32 1 3.781 2 0 -5.58559903146866 820120 C1CCSC(=NC1)N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 4.527 2 1 -10.4555485233286 820111 C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC=CC=C3C(=O)O 1 4.58 0 4 -0.36192238382476 820110 C1CCC(C1)NC(=O)CN2C=C(N=C2)[N+](=O)[O-] 1 0.818 4 3 0 -9.37406264168105 820099 COC(=O)C1=CC=CC=C1NC(=O)CN2C=C(N=C2)[N+](=O)[O-] 1 0.848 4 5 0 -13.3596139114447 820097 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CN2C=C(N=C2)[N+](=O)[O-] 1 1.935 4 3 0 -7.11374136446975 820088 CC1(CC2=C(CO1)SC3=NC(=S)NC(=C23)N)C 1 1.628 3 1 0 -8.56389035004587 820087 CN(C1=CC=CC=C1)C(=O)CSC(=O)C2=CC=CC=C2 1 3.085 1 2 -5.8955589642366 820069 C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC=C3C=O 1 3.287 1 2 0.288328388329914 820020 C1CCC(=NNC(=O)C2=NNC3=C2CCC3)C1 1 1.751 4 1 0 -13.2807529257017 820021 C1=CC(=CC=C1CC(=O)OC2=CC=C(C=C2)C=O)F 1 3.261 0 3 -7.20428079317994 820024 CC1(CC(=NNC(=O)C2=NNC3=C2CCC3)CC(N1)(C)C)C 1 1.607 5 1 0 -17.572717609541 820058 C1CCC(=NNC(=O)C2=CC(=NN2)C3=CC=CC=C3)C1 1 2.634 4 1 -4.61682964795773 820056 C1CCC(=NNC(=O)C2=CC(=NN2)C3=CC=CC=C3)CC1 1 3.09 4 1 -4.97129816212581 820053 CC(=NNC(=O)C1=NNC(=C1)C(C)(C)C)CC2=CC=CC=C2 1 3.253 4 1 -5.86405534593616 820043 C1=CC(=C(C=C1Cl)Cl)OC2=NC(=NC(=C2)N)N 1 3.046 4 1 1.41767661028932 820033 C1CCC(=NNC(=O)C2=NNC3=C2CCCC3)C1 1 2.207 4 1 -13.1344311128888 820006 COC1=C(C=C(C=C1)C2=NC(=S)NN2)OC 1 1.863 3 2 0 -5.2369103606613 820004 C1=CC=C(C(=C1)C2=NC(=S)NN2)Br 1 2.644 3 0 -1.51508544842268 819980 COC1=C(C=C(C(=C1)C=O)Cl)OCC(=O)N 1 1.074 1 4 0 -8.60176154371397 819975 C1CCC2=C(C1)C(=NN2)C(=O)NN=CC3=CC=CC=C3 1 2.939 4 1 -10.6020426127838 819972 CCOC1=C(C=C(C(=C1)C=O)Br)OCC 1 3.002 0 3 -4.30190130290311 819949 C1CN(CCN1)C2=NC(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4 1 2.298 7 0 0 -3.66689506190372 819946 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)C=O 1 3.877 1 1 -0.112471250977508 819926 C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)O2)C#N 1 2.961 1 2 -1.57689568935049 819920 C1=CC=C(C=C1)CNC2=CN=CN=C2 1 1.443 3 0 0 1.63835956563291 819900 C1=CC=C(C=C1)C(=O)CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.75 2 5 0 -8.28514774221837 819867 C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C(=O)NN 1 2.2 3 2 -0.815350508804258 819865 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)O)[N+](=O)[O-] 1 1.472 2 5 0 2.09327202764287 819834 C1CCC(CC1)NC(=O)CC(=O)NN=CC2=CC=CC=C2F 1 2.471 3 2 -7.7461064597035 819832 C1CCC(CC1)NC(=O)CC(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 2.16 4 4 0 -10.4248544231334 819828 C1CCC(CC1)NC(=O)CC(=O)NN=CC2=CC=CC3=CC=CC=C32 1 3.174 3 2 -6.1436354020607 819824 CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)C=O 1 2.606 2 2 -2.38500639320007 819822 COC(=O)C1=CC=C(C=C1)C=NNC(=O)CC(=O)NC2CCCCC2 1 2.121 3 4 0 -12.1063162231791 819817 COC1=CC(=C(C=C1)OC)C=NNC(=O)CC(=O)NC2CCCCC2 1 2.233 3 4 0 -9.53082236943043 819814 COC1=CC=C(C=C1)C=NNC(=O)CC(=O)NC2CCCCC2 1 2.249 3 3 -9.43410566695121 819813 COC1=CC=CC=C1C=NNC(=O)CC(=O)NC2CCCCC2 1 2.249 3 3 -9.05911007045713 819810 C1CCC(CC1)NC(=O)CC(=O)NN=CC2=CC=C(C=C2)Cl 1 2.93 3 2 -7.19914076722025 819806 C1CCC(CC1)NC(=O)CC(=O)NN=CC2=CC=CC=C2Cl 1 2.93 3 2 -7.26258664741235 819803 CC(C)C1=CC=C(C=C1)C=NNC(=O)CC(=O)NC2CCCCC2 1 3.46 3 2 -8.73767976115544 819802 C1CCC(CC1)NC(=O)CC(=O)NN=CC2=CC=CC=C2 1 2.266 3 2 -9.19308327489142 819774 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)C=O 1 1.042 2 3 0 -10.223498987924 819752 CC1=CC=C(C=C1)OCC(=O)NC2=CC(=CC=C2)OC 1 2.919 1 3 -4.44153077915363 819750 COC1=CC=CC(=C1)NC(=O)COC2=CC=CC=C2 1 2.433 1 3 -5.19789704232905 819720 CCC1=C(C=C(C(=N1)SCC(=O)O)C#N)C 1 2.556 2 2 -13.9582067512008 819718 C1CCN(C1)C(=O)C2=CC=C(C=C2)Br 1 2.453 1 1 -4.11718855713782 819692 C1CCC2=C(C1)C=CC=C2NC(=O)C3=CC=CC=C3Cl 1 4.792 1 1 -6.37621741191252 819687 CC(C)C1=CC=C(C=C1)NC(=O)CCC2=CC=CC=C2 1 4.299 1 1 -6.96711943406426 819675 C1CN(C2=CC=CC=C21)C(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.224 1 1 -5.26495053288947 819664 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N 1 1.6 2 3 0 -7.72387884396317 819655 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)N 1 3.146 2 2 -12.945687480521 819470 COC1=CC=C(C=C1)COC(=O)NN=CC2=CC=CS2 1 3.182 2 3 -5.51829851640207 819448 CC1=CC(=C2C(=C1)C(=O)C=C(O2)C3=COC=C3)CC(=O)OC 1 2.616 0 5 -5.64778150787285 819447 CC1=CC(=C2C(=C1)C(=O)C=C(O2)C3=COC=C3)CC(=O)O 1 2.391 0 5 -4.15066661480199 819426 C1=CC=C(C=C1)S(=O)(=O)C2=NC=C(C=C2)S(=O)(=O)N 1 1.026 2 4 0 -8.31407751644161 819382 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)O 1 2.185 2 3 -9.57647739226564 819380 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)O 1 0.521 2 3 0 -9.06606201532341 819374 C1=CC=C(C=C1)COC2=C(N=CC=C2)Cl 1 3.12 1 1 0.317027735273194 819364 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=O)NC3=CC=CC=C3 1 3.298 3 2 -2.58334012938348 819361 C1=CC=C(C=C1)SC2=C(C=CC=N2)N 1 2.59 2 0 -1.37045861199842 819349 CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)N 1 1.42 3 2 0 -1.01280577588538 819347 C1=CC(=CC(=C1)F)NC2=C(C=NC=C2)S(=O)(=O)N 1 1.14 3 2 0 -1.10944566358407 819343 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CCOCC4 1 1.931 5 1 0 6.3390186246227 819340 CC1=CC=C(C=C1)NC2=C(C=NC=C2)S(=O)(=O)N 1 1.42 3 2 0 -3.29319258074711 819330 COC1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=C2)OC 1 2.91 1 3 -11.9911651298113 819329 C1=CC(=C(N=C1)SC2=CC=C(C=C2)F)[N+](=O)[O-] 1 3.436 2 2 -1.43933802110665 819326 C1=CC(=CC=C1F)SC2=NC=C(C=C2)[N+](=O)[O-] 1 3.436 2 2 0.282665915257112 819320 C1=CC=C2C(=C1)C3=CC=CC=C3S(=O)O2 1 3.055 0 2 -0.922825110433966 819281 C1CCC(CC1)C(=O)NN=CC2=CN=CC=C2 1 1.994 3 1 0 -2.87295048757892 819268 C1CCC(=NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C1 1 3.769 2 1 -2.90022984510751 819258 C1=CC2=C(C(=C1)Cl)C(=C(S2)C(=O)O)Cl 1 3.941 0 2 2.27569059916647 819247 C1COCCN1NC(=O)C2=CC=CC=C2Br 1 1.188 2 2 0 -6.9241641440135 819246 C1COCCN1NC(=O)C2=CC=C(S2)Cl 1 0.852 2 2 0 -3.37934964657208 819233 C1CCC(CC1)C(=O)NC2=NC=CC=N2 1 1.819 3 1 0 -2.46755468872594 819097 CC1=CC=C(C=C1)NC(=O)ON=C2CCCC2 1 2.807 2 2 0.433541037290346 819037 C1=CC=C(C=C1)C(=O)C2=C(SC=C2)NC(=O)CCl 1 2.673 1 2 -8.04696990903527 819041 CC1=CC=C(C=C1)C2=CC3=NC4=C(CCCC4)C(=O)N3N2 1 2.604 3 1 -3.76533687905904 819052 C1CCC2=C(C1)C(=O)N3C(=N2)C=C(N3)C4=CC=C(C=C4)Br 1 2.866 3 1 -3.39999793357366 819031 CC1=CC=CC(=C1)C2=NN3C(=CC(=NC3=C2)C)C 1 3.101 3 0 -1.0297634479335 819028 CC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=C(C=C3)Cl 1 1.728 3 1 0 0.540597346806569 818969 CC1(CC2=CC(=C(C=C2C3=NNC(=S)N31)OC)OC)C 1 2.726 3 2 -8.57800376015999 818948 CC1=C(C=C2C(=C1)CC(NC2=O)(C)C)C 1 2.667 1 1 -5.02178453623513 818944 CC1(CC2=CC=CC=C2C(=N1)NN3C=NN=C3)C 1 1.15 5 0 0 -3.03365591449627 818895 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CCOCC3 1 1.875 1 4 0 -14.3484450730504 818851 CC(C)(C)OC1=NC(=NC=C1Br)OC(C)(C)C 1 3.689 2 2 -0.643692052098211 818820 CC1(CC(=O)C(=CNC2=CC=C(C=C2)N)C(=O)C1)C 1 1.277 2 2 0 -8.36547755062321 818805 C1=CC=C(C=C1)C#CC2=CC=CC=C2C(=O)NN 1 2.449 2 1 2.13744911744138 818797 C1=CC(=CC=C1C2=C(C3=C(O2)C=CC(=C3)O)C=O)Cl 1 4.125 0 3 11.2763371835214 818781 CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)C=O 1 3.05 1 3 -4.68600192503575 818779 CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=O 1 3.098 1 3 -5.92636404608072 818769 CC1=CC(=C(N1C2=CC=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-])C)C=O 1 3.599 3 4 0 -3.90038810231913 818768 CC(=O)NNC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O 1 1.136 2 3 0 -10.3605789601409 818750 C1CCC2(CC1)CC3=CC=CC=C3C4=NC5=CC=CC=C5C(=O)N24 1 4.488 2 1 -5.11523010245697 818746 C1CCC2(C1)CC3=CC=CC=C3C(=N2)N4CCOCC4 1 2.525 2 1 -0.511679817968204 818740 C1=CC=C(C=C1)N(C2=CNC3=CC=CC=C32)C(=O)CCl 1 3.559 2 1 -3.98845529151965 818739 CC(=O)N1C=C(C2=CC=CC=C21)N(C3=CC=CC=C3)C(=O)CCl 1 3.549 2 2 -1.9094303450223 818737 C1=CC=C2C(=C1)C(=CN2)N(C3=CC=C(C=C3)Cl)C(=O)CCl 1 4.223 2 1 -1.89278072586958 818736 C1=CC=C(C=C1)N(C2=C(NC3=CC=CC=C32)C=O)C(=O)CCl 1 3.609 2 2 -4.15823535821176 818723 COC1=CC=C(C=C1)/C=C/C(=O)OC2=C(C=C(C=C2)C=O)OC 1 3.456 0 5 -9.0662151707004 818663 C1CN(CCC1C(=O)N)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 0.315 3 5 0 -16.2723646534743 818667 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.517 2 6 0 -19.5558874245815 818671 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.424 2 4 -8.11596408824123 818674 C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2 1 1.173 2 2 0 -3.18790259978437 818677 CC1=CC2=NC(=C(C=C2C(=C1)C)C=O)Cl 1 3.621 1 1 4.69010277377651 818681 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C 1 2.109 1 4 -17.1368407261465 818709 CCCC1(C(=O)NC(=NC1=O)NC2=CC=C(C=C2)C)CCC 1 3.98 3 2 -3.18175730400523 818691 CC(=NNC(=O)C1=CC=C(C=C1)N2CCCC2=O)C3=CC=NC=C3 1 1.094 4 2 0 -18.1759612782686 818684 COC1=NC(=NC(=N1)N2CCCCCC2)OC 1 2.391 4 2 -2.26560896266827 818647 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.322 1 2 0.962221765492831 818645 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.027 2 3 -2.80946803317543 818642 CC1=C(C=CC(=C1)O)N/C=C(\C#N)/C2=NC3=CC=CC=C3O2 1 3.173 3 2 -0.542512389249048 818638 CC1=CC(=NC(=C1C#N)SCC(=O)OC)C 1 2.115 2 2 -15.3892525854687 818637 CC1=CC=C(O1)C2=NN(C=C2C=O)C3=CC=CC=C3 1 3.303 2 2 10.9753019431374 818605 COC1=C(C=C(C=C1)C=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.188 1 4 -6.85111829048947 818604 COC1=C(C=C(C=C1)C=O)COC2=CC=CC=C2F 1 3.345 0 3 -5.38692642332813 818600 COC(=O)COC1=C(C=C(C=C1)C2=CC=C(C=C2)F)C=O 1 3.003 0 4 -0.938828126147936 818599 COC(=O)COC1=C(C=C(C=C1)C2=CC=CC=C2)C=O 1 2.798 0 4 -1.28661799307002 818593 C1CCN(CC1)C2=NC(=NC(=N2)NN)NC3=CC=CC=C3 1 1.519 7 0 0 1.27014024012162 818580 CN(C)N(C)C(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O 1 1.886 2 2 0 -3.77647739366875 818579 C1CC1C(=O)NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 1.894 2 3 0 -13.2576996114569 818548 CC1=C(SC(=C1C(=O)OC(C)C)N)C(=O)C 1 1.969 1 3 0 -3.1825468085963 818540 C1=CC(=C(C=C1C(=O)NNC(=O)C2=NC=CN=C2)Cl)Cl 1 1.327 4 2 0 -5.98799955646456 818539 C1=CC(=CN=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)Cl)Cl 1 2.049 3 2 -5.16659893533048 818492 C1=CC(=C(C=C1C(=O)NNC(=O)C2=CC=NC=C2)Cl)Cl 1 2.049 3 2 -3.99815596178522 818488 CC1=CC=CC=C1C2=NC(=NO2)CC3=CC=CC=C3 1 3.666 2 1 -0.917611430243583 818484 CC1=C(C(=NN1C2=CC=CC=C2)C)CN 1 1.59 3 0 0 -1.07678870980517 818477 C1=CC=NC(=C1)CNC(=O)/C=C/C(=O)O 1 0.265 2 3 0 -8.06111459820524 818475 CC1=CC(=C(C=C1)O)CN2CCN(CC2)C3=CC=CC=C3 1 3.777 2 1 10.8681866020474 818460 CC(C)C1=CC(=C(C=C1)O)CN2CCN(CC2)C3=CC=CC=C3 1 4.485 2 1 10.4489845788783 818439 COC(=O)C1=C(C2=C(S1)N=C(C(=C2)C#N)N)N 1 0.811 4 2 0 -9.71184097136315 818430 C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)Br)C3=CC=CC=C3 1 5.006 2 0 -0.856043793492948 818379 CN(C)C1=CC=C(C=C1)CNCC2=CN=CC=C2 1 1.962 3 0 0 -2.59363926196008 818375 CC1=CC(=C(C=C1)C)C2=NC3=C(N2)C=C(C=C3)N 1 3.496 3 0 7.93221686227948 818373 C1=CC=C2C(=C1)N=C3N2C(=O)C4=C3C=C(C=C4)C(=O)O 1 2.724 2 3 -5.72793408390661 818368 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)N 1 2.307 3 1 4.7294985827062 818347 CCCC1=NC(=O)C(=C(N1)C)C2=CC(=C(C=C2)OC)OC 1 2.335 2 3 -7.53383132119673 818345 CCN(CC)CC1=CNC2=C1C=CC=C2C(=O)OC 1 2.75 2 2 -0.838594048582377 818268 C1=CSC(=C1)C2=CC(=NN2)C(=O)O 1 2.095 2 2 -2.30415612836694 818267 CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O 1 2.628 2 2 1.11302765732158 818247 CC1=CC2=NC(=C(C=C2C=C1)C(=O)O)C 1 2.414 1 2 0.296690085294579 818234 CC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C4=CC(=C(C=C14)OC)OC 1 3.745 3 2 -2.32438703804489 818230 CC1=NC2=C(C=NN2C3=CC=CC=C3)C4=CC(=C(C=C14)OC)OC 1 3.462 3 2 -1.04102193479442 818205 C1C(=O)C(=C2N1C=CC=C2)C#N 1 -3.8e-002 2 1 0 -7.51996390572862 818203 C1CN(CCN1)CCNC(=O)C2=CC=CC=C2O 1 0.356 3 2 0 -8.21770868272388 818198 COC1=CC=CC=C1C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.819 1 6 0 -13.6707998743404 818197 CC1=CC(=O)N=C(N1)SCN2C(=O)C3=CC=CC=C3N=N2 1 2.601 5 2 0 -26.8555481387486 818194 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.956 2 6 0 -16.2597388666808 818168 CC(=O)N(CN1C(=O)CCC1=O)C2=CC(=C(C=C2)Cl)Cl 1 1.699 2 3 0 -8.50868947088516 818161 C1CCN(CC1)CC(=O)NC2=NN=C(S2)C3=CC=CC=C3 1 2.272 4 1 -7.66551916201823 818150 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C=O 1 3.792 2 3 7.66558690374714 818127 C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)NNC(=O)CCl 1 3.558 4 1 7.69801079848296 818106 COC1=CC=C(C=C1)C2=C(N3C=CC4=CC=CC=C4C3=N2)C=O 1 3.597 2 2 1.40915524598621 818074 CC(=NN=C(C1=CC=C(C=C1)[N+](=O)[O-])C23CN4CN(C2)CN(C3)C4)C 1 1.387 6 2 0 -4.30131502617645 818071 CN1C(=O)C2=C(C1=O)C=C(C=C2)N3CCCC3 1 1.485 2 2 0 -2.02750647814952 818063 CCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)O 1 2.391 3 3 -9.15600157864259 818050 CC1(CC2(CCO1)N3CC4(CN2CC(C3)(C4=O)C)C)C 1 1.476 2 2 0 -9.62110886834819 818048 CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N5C1=NN=C5 1 2.41 4 1 -7.39705440616018 818042 CCOC1=C(C=C(C=C1)CN2C=CN=C2CCl)[N+](=O)[O-] 1 2.526 3 3 -4.35067259815943 818012 C1COC2(O1)C3=C(C=CC(=C3)Br)N(C2=O)CCCl 1 2.139 1 3 -5.92773743271671 818001 CC1=CC2=C(C=C1)N(C(=O)C23OCCCO3)CC(=O)NN 1 -0.364 3 4 0 -10.0073554566475 817989 C1C2=CC=CC=C2N(C3=CC=CC=C3S1)C=O 1 2.949 1 1 -0.402028508324786 817983 CN1C2=C(C(=O)NC1=O)N(C(=N2)SC)CC3=CC=CC=C3 1 2.361 4 2 -8.58086837310047 817971 C1=CC=C2C(=C1)NC(=N2)CSC3=NC=CS3 1 2.661 3 0 -5.03017274790047 817966 C1COCCN1S(=O)(=O)CCOC2=CC=CC=C2 1 0.69 1 4 0 -15.2576520351241 817953 CC(=O)OC1=CC=C(C=C1)N2C(=O)CCC2=O 1 0.757 1 4 0 -9.62402956109078 817941 C1=CC=C(C=C1)C(=O)NCC(=O)OC2=CC(=CC=C2)Cl 1 2.986 1 3 -9.65352639523731 817875 CC1=C(N(C2=CC=CC=C2C1=O)C3=CC=CC=C3)O 1 4.046 1 2 1.47229961233787 817860 CC1=CC(=O)C=C(N1CC2=CC=CC=C2)O 1 2.421 1 2 0.525497642575793 817858 CC1=C(C(=O)C(=C(N1)O)CC2=CC=CC=C2)C#N 1 2.076 2 2 -6.87978689123922 817856 C1CC(=C(C(=O)C1)SC2=CC(=C(C=C2Cl)Cl)Cl)O 1 4.434 0 2 -1.700995348278 817838 CC1=CC(=O)C(=C(N1)O)SC2=CC=C(C=C2)Cl 1 2.789 1 2 -0.387547722377592 817814 CC(=O)NC1=C(N2CCCC3=CC=CC(=C32)C1=O)O 1 1.361 2 3 0 -4.97178602171123 817787 C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3N2)CCN 1 3.395 2 0 1.70107478285477 817760 C1=CC=C(C=C1)SC2=CC=CC=N2 1 3.336 1 0 0.373053815912124 817745 COC1=CC=CC=C1C=NNC(=O)CO 1 0.33 2 3 0 -3.9233481343966 817742 C1CC2=CC=C3C4=C(C=CC1=C24)C(=O)N(C3=O)C5=CC=CC=C5 1 3.948 1 2 -3.31099643087189 817730 CN1C(=O)C(=CC2=CC=C(O2)N3CCOCC3)C(=O)N(C1=S)C 1 1.545 3 4 0 0.133082180840261 817677 COC(=O)C1=CC=C(O1)COC2=CC=CC=C2C=NO 1 2.552 1 5 -0.683151786763241 817668 CN(C1=CC=CC=C1)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.952 2 3 0 -10.2943351681194 817655 C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)C3=CC=CC=C3)C#N 1 2.504 3 1 -6.01590181073813 817626 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3 1 2.776 1 3 -8.58856380481349 817623 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=CC=CC=C3 1 3.266 2 1 -3.25687608636082 817616 CC1=CC=C(C=C1)SCC(=O)NC2=CN=CC=C2 1 2.343 2 1 -5.30557315538129 817611 C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)O 1 3.692 2 2 -8.95914875697774 817599 CC1=C(C2=CC=CC=C2N1CCOC3=CC=CC=C3)C=O 1 3.866 1 2 -2.21762724585337 817598 COC1=CC=C(C=C1)C(=O)NC2=C(NC=NC2=O)N 1 -0.573 4 3 0 -8.36370875253436 817597 CC1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=O 1 4.207 1 2 -1.53970073792991 817595 CC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C=O 1 4.207 1 2 -1.3696954515164 817584 CC1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.9 2 0 1.70064948303701 817566 C1=CC=C(C=C1)C2=NC3=C(N=CC=C3)N=C2C4=CC=CC=C4 1 4.233 3 0 5.23366672593817 817561 CC1=C(N=C(N=C1OC)C2=CC=CC=C2)C3=CC=CC=C3 1 4.627 2 1 7.08265783767386 817558 CC1=CC(=C(N1C)C)/C=C(\C#N)/C(=O)NC2CCCCCC2 1 3.25 3 1 -13.6657080339089 817553 C1=CC=C2C(=C1)C=NC=C2C3=CN=CC4=CC=CC=C43 1 2.864 2 0 3.29304561924775 817550 COC1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.945 2 1 2.19458477243198 817546 C1=CC=C(C=C1)C2=C(C(=NC(=N2)C3=CC=CC=C3)NN)Br 1 3.544 4 0 9.53677753124021 817541 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=NC=C3 1 3.516 2 0 3.46325592606596 817540 C1=CC=C(C=C1)C2=CC(=NC=N2)C3=CC=CC=C3 1 3.945 2 0 3.49314462501312 817533 C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)Br 1 4.6 2 0 5.63367117120809 817514 C1CCN(CC1)C2=C(C=NC3=CC=CC=C32)Br 1 3.844 2 0 3.3124338726385 817513 C1=CC=C(C=C1)C2=CN=C3C=C(C=CC3=N2)N 1 2.494 3 0 8.84832217862378 817507 C1=CC=C(C(=C1)CN2C3=CC=CC=C3OC2=O)C#N 1 3.008 2 2 -0.346463001819683 817506 C1=CC(=CC=C1N2C=NN=N2)OCC(=O)N 1 -0.446 5 2 0 -15.9423066614561 817499 CCOC1=C(N=CC=C1)SC2=CC=CC=C2 1 3.669 1 1 -2.71006739685345 817497 CN1C=NN=C1SCC(=O)NC2=CC3=C(CCC3)C=C2 1 2.176 4 1 -21.6369192102952 817486 C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.048 5 1 0 -16.8406395378206 817464 C1=CC=C(C=C1)CCNC(=O)/C(=C/C2=CC=CO2)/C3=CC=CC=C3 1 4.284 1 2 -8.6632925371466 817457 CN(C1=CC=CC=C1)C2=NC=CC=N2 1 1.691 3 0 0 1.84084509284831 817456 C1=CC=C(C=C1)SCC(=O)NCC2=CC=CC=N2 1 2.079 2 1 -11.8802244553613 817430 CC1=CC=C(C=C1)CNC(=O)CSCC2=CC=CC=C2 1 3.508 1 1 -13.7251434416836 817422 CC1=C(C=C(C=C1)N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C)C 1 1.412 3 3 0 -18.8591182843748 817371 CC1=CC=C(C=C1)C2=NC(=NO2)CC3=CC=C(C=C3)OC 1 3.649 2 2 0.330075111880875 817361 CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl 1 4.205 2 2 -7.76808179889548 817359 CC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl 1 4.205 2 2 -8.91180040657104 817351 CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CS2 1 3.963 3 2 -17.3619822560942 817349 C1=CC=C2C(=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CS3 1 3.872 3 1 -5.82721125715906 817345 CC1=NC(=CC=C1)NC(=S)NC(=O)C2=CC=CS2 1 3.39 3 1 -7.55812033939397 817344 CC1=CC(=NC=C1)NC(=S)NC(=O)C2=CC=CS2 1 3.121 3 1 -7.02683246046128 817337 CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CS2 1 4.579 3 1 -13.7708431683227 817333 C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CS2 1 3.719 2 1 -9.07021929334961 817328 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)C 1 3.992 2 2 -10.5998773016849 817320 CC1=NC(=CC=C1)NC(=S)NC(=O)C2=CC=CO2 1 2.832 3 2 -6.56712001501453 817283 CC1(CC2=C(CO1)C=C3C4=C(C(=NN=N4)N5CCCC5)SC3=N2)C 1 2.079 5 1 -14.3818163004638 817279 CC1(CC2=C(CO1)C=C(C(=N2)NC3CCCCC3)C#N)C 1 2.895 3 1 -12.9160339809674 817267 CC1(CC2=C(CO1)C=C(C(=N2)Cl)C#N)C 1 2.035 2 1 -9.12130893090884 817188 C1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)O 1 2.199 1 4 -7.94537004931675 817114 C1=CC=C(C(=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)O 1 4.223 2 2 -1.05754968103485 817081 C[C@]12CCCC([C@@H]1CCC(=C2CS(=O)C3=CC=CC=C3)C=O)(C)C 1 4.586 0 2 4.93980559147975 817074 C1=CC=C2C(=C1)C3=CC=CC=C3C2=C(C(=O)O)F 1 3.004 0 2 -1.64357847216284 817073 C1=CC=C(C=C1)C(=C(C(=O)O)F)C2=CC=CC=C2 1 3.316 0 2 -1.94843208214335 817051 CC(C)COC1=C(C=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)N)O 1 2.332 3 4 0 -17.6551010002142 817048 CC(C)OC1=C(C=C(C=C1)C(=O)C)CC2=C(NC(=S)NC2=O)O 1 2.905 2 4 -11.7502700651698 817029 CC1(CC2=C(CO1)SC(=C2C(=O)O)NC(=O)C3=CC=CC=C3)C 1 2.57 1 4 -17.6406051886235 816946 CC1=CC(=NC(=O)N1)SC 1 0.968 2 1 0 -6.23961137960559 816945 CCN(CC)CCN1C2=CC=CC=C2C3=NC4=CC=CC=C4N=C31 1 4.457 4 0 -3.07174798845808 816944 CC1=CC(=S)NC(=S)N1 1 1.689 2 0 0 -5.92384341503485 816899 C1C2=CC=CC=C2C(=NC3=CC=CC=C31)CCl 1 4.084 1 0 -0.727142925916135 816895 C1=CC(=CC=C1NC2=C(C(=O)N=C(N2)N)NC=O)Cl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l 1 3.89 1 0 3.84172590312361 816681 C1=CC=C2C(=C1)C(=CN2CC(CN3C=C(C4=CC=CC=C43)C=O)O)C=O 1 3.485 2 3 3.69263547455835e-002 816658 C1=CC(=C(C=C1NC(=O)NN2C=NN=C2)Cl)Cl 1 1.47 5 1 0 -2.70433849604501 816655 C1=CC(=CC=C1NC(=O)NN2C=NN=C2)Cl 1 0.805 5 1 0 -2.50242849867161 816391 C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)/C=C/C3=CC=CO3 1 3.65 1 4 -9.86116309533139 816255 CC1=C(NC(=NC1=O)NC2=NC3=C(C=CC(=C3)OC)C(=N2)C)C 1 2.131 5 2 0 -6.2278092399318 816248 CCOC1=CC2=C(C=C1)N3C(=O)C=C(N=C3S2)C(=O)OC 1 2.401 2 4 -8.43311607292691 816245 CN1C2=C(C=C(C=C2)/C=C(/C#N)\C(=O)NCC3=CC=CO3)N(C1=O)C 1 1.384 4 3 0 -21.0198133448594 816232 C1=CC=C(C(=C1)CSC2=NC(=CC(=O)N2)O)Cl 1 3.141 2 2 -12.7923107194653 816175 CCN(CC)NC(=S)NC1=CC=CC=C1 1 2.852 3 0 -6.21707515349925 816171 CN(CC=C)NC(=O)NC1=CC=CC=C1 1 1.277 3 1 0 -7.96161157753718 816108 CC1=CC=C(C=C1)SCC(=O)NCC2=CN=CC=C2 1 2.35 2 1 -11.1067820399943 816034 CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=CC=CC=C2 1 1.586 2 3 0 -13.5594864963679 815970 CC1=CC(=C(C=C1)C)N(CC(=O)N2CCCCCC2)S(=O)(=O)C 1 2.558 2 3 -13.7338321233673 815973 COC1=CC=CC(=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C 1 1.569 2 4 0 -13.2717097952962 816096 C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(O2)/C=C(/C#N)\C(=O)N 1 1.106 3 4 0 -14.4681709818909 816078 CC1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2C(=O)O 1 3.124 1 3 -8.21996127495239 816069 CCOC1=CC=CC=C1N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C 1 0.765 3 4 0 -17.2207927787191 815885 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CN=CC=C2)OC 1 2.582 3 3 -13.8634490480567 815951 COC1=CC=CC(=C1)N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C 1 0.423 3 4 0 -18.857482473834 815949 C1OC2=C(O1)C=C(C=C2)NC(=O)CSCC3=CC=CC=C3 1 2.783 1 3 -12.6714768280994 815932 CC1=CC=C(C=C1)SCC(=O)NCC2=CC=CO2 1 2.683 1 2 -10.7373793141276 815832 CC1=NN=C(S1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O 1 2.497 3 3 -11.8286555196691 815820 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CN=CC=C2)[N+](=O)[O-] 1 2.493 4 4 0 -14.1442161244332 815741 CCC1=CC=C(C=C1)OC2=CC(=NC(=N2)N)Cl 1 3.74 3 1 0.183038698272709 815570 CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2 1 2.538 3 3 -14.2685946547873 815566 CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)CC2=CC=CC=C2 1 1.693 3 3 0 -10.9980671590729 815564 CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2 1 1.658 3 3 0 -8.14243955522052 815559 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C 1 1.478 3 3 0 -8.11160244683314 815515 COC(=O)C1=CC=C(C=C1)C2=NC3=CC(=C(C=C3S2)N)Cl 1 3.612 2 2 3.6912184621054 815481 CC1=CC(=O)N=C(N1)CC2=CC=C(C=C2)OC(C)C 1 2.175 2 2 -10.0522371589962 815408 COC1=CC=C(C=C1)C2=CC(=O)NN2 1 0.448 2 2 0 -1.70012455766247 815403 CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C3=CC=CC=C32)OC 1 4.288 1 2 -2.24724870678841 815398 CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C3=CC=CC=C32)N(C)C 1 4.467 2 1 -6.05408261048462 815385 CC(=O)NC1=C2C(=NON2)C(=CC1=O)OC 1 -1.58 3 4 0 -6.52196822131146 815338 CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)Cl)OC)C 1 2.963 3 2 -11.6372727914413 815333 C1=CC(=CC=C1CN2C(=C(C=N2)C#N)N)Cl 1 1.984 4 0 0 -3.7458653076353 815224 CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.389 2 2 3.07453330330743e-002 815206 C1=CC=NC(=C1)CCSC2=CC=C(C=C2)[N+](=O)[O-] 1 3.162 2 2 -1.87135164037042 815192 CN1C2=CC=CC=C2C(=NOC(=O)C3=CC=CC=C3)C1=O 1 2.431 2 3 4.24011249932561 815061 CC1=CC=CC2=C(C(=O)N=C12)NC3=CC=C(C=C3)Cl 1 3.319 2 1 -2.56532721033716 815050 CC1=CC=C(C=C1)NC2=C3C=CC=C(C3=NC2=O)C 1 3.14 2 1 -4.57562249525779 815028 CC(C)NS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O 1 2.076 2 4 -15.5400723753621 815020 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 1.964 2 4 0 -8.94983254593464 814994 CC1=CC=NN1CCC(=O)O 1 0.355 2 2 0 -16.3592815502139 814990 CC1(CC2=C(CS1)C=C3C4=C(C(=NC=N4)Cl)SC3=N2)C 1 3.811 3 0 -6.97174972073714 814967 CCN1C(=O)CCC(=N1)C2=CC=CC=C2 1 1.604 2 1 0 -4.41263767961853 814957 CC1=C(C(=NC(=N1)N2CCCCC2)N3CCCCC3)C=O 1 2.072 4 1 0.196450097541719 814843 CC(C)C(=O)NN=CC1=CC=C(C=C1)OCC2=CC=CC=C2 1 3.715 2 2 -7.80858908277469 814788 CC1=CC(=CC=C1)OCC(=O)NC2=CC=NC=C2 1 1.785 2 2 0 -3.69112550718038 814784 C1=CC=C(C=C1)OCC(=O)NC2=CC=NC=C2 1 1.299 2 2 0 -5.27120230828798 814775 C1=CC=C(C=C1)CCC(=O)NC2=CC=NC=C2 1 1.955 2 1 0 -7.66786947705615 814763 COC1=CC=CC(=C1)C(=O)NC2=CC=NC=C2 1 1.447 2 2 0 -5.42272789615448 814761 COC1=C(C=C(C=C1)C(=O)NC2=CC=NC=C2)OC 1 1.431 2 3 0 -9.43290008635578 814758 COC1=CC=CC=C1C(=O)NC2=CC=NC=C2 1 1.447 2 2 0 -6.22823609329311 814729 C1=CC(=CN=C1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.393 3 3 0 -7.29192947671288 814726 C1=CC(=CN=C1)NC(=O)CC2=CC=C(C=C2)Cl 1 2.163 2 1 -3.37553299876883 814715 C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.795 2 3 -2.92930455593353 814698 CC1=CC(=C(C=C1)OCC(=O)NN2C=NN=C2)Br 1 1.303 4 2 0 -5.77864284908296 814690 C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)NN2C=NN=C2 1 0.792 5 3 0 -4.80459047440685 814685 COC1=CC=CC(=C1)C(=O)NN2C=NN=C2 1 0.216 4 2 0 -6.82845084624721 814682 COC1=CC=C(C=C1)C(=O)NN2C=NN=C2 1 0.216 4 2 0 -6.28061889598625 814676 C1=CC(=CC=C1C(=O)NN2C=NN=C2)Cl 1 0.897 4 1 0 -4.04565399625529 814674 C1=CC(=CC=C1C(=O)NN2C=NN=C2)F 1 0.438 4 1 0 -5.15577566137686 814670 C1=CC=C(C(=C1)C(=O)NN2C=NN=C2)F 1 0.438 4 1 0 -7.6042967481749 814667 CC(C)(C)C1=CC=C(C=C1)C(=O)NN2C=NN=C2 1 1.633 4 1 0 -3.2895185377308 814664 CC1=CC=C(C=C1)C(=O)NN2C=NN=C2 1 0.719 4 1 0 -5.86765268684211 814607 CC(C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C 1 3.087 4 2 -8.90622480921203 814546 COC1=CC2=C(C=C1)NC3=C2NC(=O)N(C3=O)N 1 0.641 4 3 0 -4.08355399620818 814544 C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=O)N3)N 1 0.657 4 2 0 -5.21485111672851 814542 CC1=CC2=C(C=C1)NC3=C2NC=NC3=S 1 2.72 3 0 -4.49174077239711e-002 814519 C1=CC=C2C(=C1)C3=C(N2)C(=S)N=CN3 1 2.234 3 0 -2.24868514622344 814514 CC1=CC2=C(C=C1)NC3=C2N=C(N(C3=O)N)C 1 1.408 4 1 0 -2.52789349904092 814510 CC1=NC2=C(C(=O)N1N)NC3=C2C=C(C=C3)OC 1 0.905 4 2 0 -3.41206752268625 814506 CC1=NC2=C(C(=O)N1N)NC3=CC=CC=C32 1 0.922 4 1 0 -4.46401271978218 814497 C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C=N3)N 1 0.843 4 1 0 -4.99599028882607 814460 CC1=C(C2=NC(=C(C(=O)N2N1)CC3=CC=CC=C3)C)C4=CC=CC=C4 1 3.242 3 1 -7.97826105150922 814443 CC1=CC=C(C=C1)C2=NN(C(=C2)N)CC3=CC=C(C=C3)Cl 1 4.538 3 0 2.91536475575838 814441 C1=CC=C(C=C1)C2=NN(C(=C2)N)CC3=CC=C(C=C3)Cl 1 4.052 3 0 2.44084833944318 814395 C1COCCN1C(=O)C2=CC3=CC=CC=C3C=C2 1 1.84 1 2 0 -3.37433300202012 814253 CC1=CC(=CC=C1)OCC(=O)NC2CCCC2 1 2.761 1 2 -5.93073485968496 814251 COC1=CC=CC(=C1)C(=O)NC2CCCC2 1 2.423 1 2 -7.02063486358903 814232 C1CCCC(CCC1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 3.406 2 4 -12.7985812752559 814223 CC1=CC=CC=C1OCC(=O)NC2CCCCCCC2 1 4.13 1 2 -7.30018890344804 814169 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.173 3 5 0 -14.1029403679056 814167 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)OC 1 2.263 2 4 -11.562430402241 814153 C1=CC(=CC=C1CNC(=O)COC2=CC=C(C=C2)Cl)F 1 3.326 1 2 -5.77612531683734 814150 CC1=CC(=CC=C1)OCC(=O)NCC2=CC=C(C=C2)F 1 3.148 1 2 -6.50628121828537 813906 C1=CC(=CN=C1)/C=C\2/C(=O)OC(=N2)C3=CC=C(C=C3)Cl 1 2.826 2 2 -6.28130851890976 813851 CC(=NNC(=O)C1=CC=CC=C1)C2=CC(=CC=C2)Br 1 3.412 2 1 -5.82894834649751 813815 CC1=CC(=C(C=C1)NP(=O)(C)OC2=CC=CC=C2OC)C 1 3.33 1 3 2.53004701106039 813791 COC1=CC=C(C=C1)NP(=O)(C)OC2=CC=CC=C2OC 1 2.341 1 4 3.22149571976404 813776 CC1=C(C=C(C=C1)Cl)NP(=O)(C)OC2=CC=CC=C2OC 1 3.508 1 3 5.32847189417521 813716 CCC(=O)NC1=C(NC2=CC=CC=C21)C(=O)OCC 1 2.406 2 3 -7.1747102421842 813711 CCCC(=O)NC1=C(NC2=CC=CC=C21)C(=O)OCC 1 2.862 2 3 -12.5970043768317 813516 C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=CC=C3)Br 1 3.549 2 1 -2.47312567460105 813472 CC1=C(C(=NN1CC(=O)NC2=CC3=C(C=C2)OCO3)C)[N+](=O)[O-] 1 1.206 4 5 0 -11.5210270926517 813465 CC1=C(C(=NN1CC(=O)N2CCCC2)C(F)(F)F)Br 1 2.471 3 1 -7.3600538738529 813457 CC1=CC(=NN1CC(=O)N2CCCC2)C(F)(F)F 1 1.722 3 1 0 -8.00382985027807 813389 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)O 1 2.115 2 3 -2.40097754833331 813209 CC1=CC(=C(C=C1)C)/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3F 1 4.49 1 2 -5.57952475397078 813098 COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=CS2 1 1.511 2 4 0 -10.8419270769507 813097 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC(=CC=C2)OC 1 2.044 2 4 -9.35321016259752 813058 C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=C(C=C2)O 1 1.332 2 4 0 -7.40854753128943 813033 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=C(C=C2)OC 1 2.044 2 4 -8.80537821233656 813021 C1=CC=C(C=C1)/C=C/C(=O)NN2C=NN=C2 1 0.701 4 1 0 -5.15117631265025 812997 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CC=C2O 1 2.115 2 3 -2.14577757506063 812993 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Br)O 1 2.378 2 3 -1.86089527730846 812967 CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CO2 1 1.777 1 4 0 -7.61374313528327 812959 C1COCCN1C(=O)OC2=CC=C(C=C2)Cl 1 2.151 1 3 -3.32004256307958 812936 C1=CC2=C(C=C1Br)C=C(C(=O)O2)C(=S)N 1 2.478 1 2 -7.00169371015479 812710 CC1=CC(=C(C=C1)C)N/C=C(\C#N)/C2=NC3=CC=CC=C3O2 1 3.901 3 1 -1.94713590847913 812637 CC1=NN=C(S1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.3 3 4 0 -15.1507740570423 812621 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CN=CC=C3 1 1.498 3 3 0 -19.510206524222 812598 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCSCC2 1 3.331 2 2 -9.09254615357909 812456 C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=CC=C4 1 3.771 3 1 -11.9428710261846 812465 C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=C(O4)[N+](=O)[O-] 1 3.185 4 4 0 -12.0192611752962 812582 C1CSCCN1C(=S)NC(=O)/C=C/C2=CC=CC=C2 1 3.347 2 1 -8.8515237615193 812577 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCOCC2 1 2.586 2 3 -11.3401690753318 812443 C=CCN1C(=O)C2=C(NC1=S)SC3=C2CCCC3 1 3.928 2 1 -14.9679259472938 812440 CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=CC=C3 1 5.284 2 2 -17.0619082091508 812408 CNS(=O)(=O)C1=C2C=CC=C3C2=C(C=C1)NC3=O 1 0.604 2 3 0 -16.8838271605128 812368 CC1=CC(=NC2=CC=CC=C12)NC3=CC=C(C=C3)OC 1 3.938 2 1 9.41343836360524 812365 CC1=CC(=NC2=CC=CC=C12)N3CCOCC3 1 2.271 2 1 2.21021900781061 812348 CC1=C(C2=C(C(=N1)C)C(C3=CC=CC=C32)(F)F)C(F)(F)F 1 3.885 1 0 2.56951598163084 812277 CCOC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC 1 2.671 1 3 -11.9456180691101 812203 CC1=C(C=C(C=C1)Cl)NC(=O)CSC(=O)N 1 2.156 2 2 -6.00059490101359 812129 CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CO3)C(=O)O)C 1 4.292 2 3 1.44523901118358 812108 C1=CC(=CC(=C1)Cl)N2C(=CC(=N2)C3=CC=CO3)C(=O)O 1 3.984 2 3 7.32116133369895 812103 C1=COC(=C1)C2=NN(C(=C2)C(=O)O)C3=CC=C(C=C3)Cl 1 3.984 2 3 5.4927075317807 812102 CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CO3)C(=O)O 1 3.806 2 3 3.67070884119388 812092 C1=CSC(=C1)C2=NN(C(=C2)C(=O)O)C3=CC=C(C=C3)F 1 4.083 2 2 1.67580185732377 812049 CN1CCN(CC1)C(=S)NC(=O)C2=CC=CO2 1 1.8 3 2 0 -8.77135307633 812046 CN1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=C(C=C2)OC 1 2.856 3 2 -7.01483625068742 812029 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C 1 2.601 2 1 0.498174507188784 812019 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=C2)Cl 1 2.856 2 2 -1.07080472401653 811997 CC1=CC=CC=C1C(=O)NNC(=O)C2=CC=NC=C2 1 1.207 3 2 0 -9.48174012366425 811984 CC1(CC(CC(N1)(C)C)NC(=O)COC2=CC3=CC=CC=C3C=C2)C 1 2.521 2 2 -10.1854876224229 811975 CC(=O)N1C2(CCCC2)OC(=N1)C3=CC=NC=C3 1 1.023 3 2 0 -8.21070105820713 811890 CC1=NN(C(=C1)NC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl 1 4.549 3 1 -2.33421352778297 811889 CC1=CC(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3 1 3.42 4 3 0 -3.38970503836099 811874 CC1=NC(=C(S1)NC(=O)OC)C2=CC=CC=C2 1 2.381 2 2 -1.50795189733902 811857 CC1=CC2=NC(=C(N2C=C1)NC(=O)C)C3=CC=CC=C3 1 2.663 3 1 -3.94378846974714 811716 CC(C)CN1C(=O)C2=C(N=C3N2CCS3)N(C1=O)C 1 1.994 4 2 0 -10.1696641162253 811700 CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CS2 1 3.622 0 3 -10.3436105519751 811631 CC(=O)CC(=O)NC1=NC=C(C=C1)Cl 1 0.914 2 2 0 -3.39620984329708 811534 C1C=CC[C@H]([C@H]1C(=O)C2=CC=CC=C2)C(=O)O 1 2.436 0 3 -2.1555301743541 811497 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CCO)C 1 1.897 1 4 0 -1.5584940832405 811331 CC1=CC2=NSN=C2C(=C1C)S(=O)(=O)N3CCN(CC3)C 1 2.004 4 2 -7.24074002600741 811319 CC(C)(C)C1=NN=C(S1)NC(=S)NC2=CC=CC=C2 1 4.175 4 0 -7.85342665413377 811310 CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)SC 1 3.495 1 2 -4.97613379464676 811309 CSC(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2 1 3.655 1 2 -6.16517489593116 811302 CC1=CN=C(C=C1)NC(=O)NC2=CC=CC=C2 1 2.397 3 1 -4.72372259928571 811287 C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=CO3 1 2.408 3 2 -7.46276147593947 811280 C1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.899 3 2 -10.6808202802091 811240 CC1=NN=C(S1)NC(=O)COC2=CC=CC=C2 1 1.184 3 2 0 -11.8832025919685 811180 CC(C)COC(=O)NC1=NN=C(S1)COC2=CC=CC=C2 1 3.019 3 3 -10.6648552241269 811160 CC(C)(C)C1=CC=C(C=C1)C2=NN=C(S2)N 1 2.882 3 0 4.66311053402907 811152 CC(C)COC(=O)NC1=NN=C(S1)CC2=CC=CC=C2 1 3.219 3 2 -12.4513157438684 811139 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CS2 1 2.446 2 4 -9.10831401783091 810981 CCOC1=NC(=NC(=N1)NC2=CC=C(C=C2)Cl)OCC 1 3.75 4 2 0.742139569943862 810855 C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=CC=CC=C4N3CC(=O)O 1 4.608 2 2 -8.54419315696024 810847 C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2CC(=O)O 1 3.699 2 2 -10.9551413163734 810824 C1=CC(=CC(=C1)Br)NC2=CC(=O)NC(=O)N2 1 1.803 3 2 0 -5.61136903986522 810814 CC(=O)NC1=NN=C(S1)COC2=CC=CC=C2 1 1.184 3 2 0 -8.80437467442306 810809 CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)COC3=CC=CC=C3 1 3.335 3 2 -9.93844046330459 810755 CC1=C(C(=O)N2C(=N1)C=C(N2)C3=CC=C(C=C3)Br)Cl 1 2.18 3 1 -0.217105723855769 810723 CC1=CC=CC=C1C2=CC3=NC(=C(C(=O)N3N2)Cl)C 1 1.918 3 1 0 -1.46547993259733 810721 CC1=CC=CC=C1C2=CC3=NC(=C(C(=O)N3N2)C)C 1 1.996 3 1 0 -2.55676607140481 810712 CC1=C(N=C2C=C(NN2C1=O)C3=CC=CC=C3)C 1 1.51 3 1 0 -2.14824722446383 810595 C1CCC2=NC3=C(C4=C(S3)CCCC4)C(=N)N2CC1 1 3.427 3 0 -14.2193131869634 810537 CC1=CC(=C(C=C1C=NO)COCC2=C(C=C(C(=C2)C=NO)C)C)C 1 4.815 2 3 4.08745218457443 810535 CC1=CC(=C(C(=C1/C=C(/C#N)\C(=O)N)C)COC(=O)C)C 1 2.372 2 3 -9.01918660038694 810450 C1=CC=C(C=C1)N2C=CC(=N2)NC(=O)C3=CC=C(C=C3)Cl 1 4.044 3 1 0.98574264679856 810326 C1=CC=C2C(=C1)N=C(O2)C3=CC4=C(C=C3)N=C(S4)N 1 3.159 3 1 12.571375658294 810270 C1C(=O)N(C(=S)N1C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 3.795 2 2 -7.13030643134584 810149 CC1=NN=C(S1)NC(=O)C2=CC=CC=C2C(=O)O 1 0.979 3 3 0 -13.0489335288085 809903 COC1=CC=CC=C1NC(=O)NC2=CC=CC=C2C#N 1 2.385 3 2 -9.20136155879721 809896 CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC=CC=C2 1 4.989 2 2 -14.7523298110691 809885 CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 0.816 3 4 0 -10.6094659890152 809797 CC1=CC=C(C=C1)N2C=CC=N2 1 2.542 2 0 4.91156070173905 809766 CC1=CC=C(C=C1)NC(=O)C2=CC=CC3=CC=CC=C32 1 4.009 1 1 -1.84726956804029 809764 CC(C)N(C(C)C)NC(=O)C1=CC=CC2=CC=CC=C21 1 3.113 2 1 -3.78667585234397 809740 COC1=CC=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2 1 1.157 2 3 0 -4.70374411932563 809705 COC(=O)C1=CC=CC=C1NC(=O)COC2=CC=CC=C2 1 2.305 1 4 -12.0586402238647 809665 C1=CC=C(C(=C1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)Cl 1 2.452 2 3 -7.57100452943446 809660 CN1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)Cl 1 2.333 2 1 -0.212809847026804 809610 CCOC1=C(C=C(C=C1)CC(C(=O)NN)C(=O)NN)CN(C)C 1 -0.277 5 3 0 -3.15958433772747 809590 C1C(=O)N=C2N(C1=O)N=C(S2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.023 4 4 0 -6.66767679137464 809516 CC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2 1 2.401 2 2 7.1799681379339 809513 CC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3N2 1 2.39 3 1 2.79194278844631 809483 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C 1 2.04 2 1 -6.21359775274624 809473 CCC(=O)N=C1N(C2=CC=CC=C2S1)C3=CC=CC=C3 1 4.392 2 1 -4.57640898100818 809466 COC1=C(C=C(C=C1)C(=O)NNS(=O)(=O)C2=CC=CC=C2)OC 1 1.541 2 5 0 -14.259391992035 809464 CC1=CC=CC(=C1O)C(=O)NNS(=O)(=O)C2=CC=CC=C2 1 1.818 2 4 0 -7.42358550772912 809463 C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=C(C=C2)F 1 1.78 2 3 0 -8.57654461696332 809461 C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC(=CC=C2)F 1 1.78 2 3 0 -8.561282755664 809457 COC1=CC=C(C=C1)CC(=O)NNS(=O)(=O)C2=CC=C(C=C2)F 1 1.798 2 4 0 -8.18805047111948 809454 C1=CC=C(C=C1)CC(=O)NNS(=O)(=O)C2=CC=C(C=C2)F 1 1.814 2 3 0 -8.58989916675494 809451 C1CCC(CC1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F 1 2.242 2 3 -6.0627614176679 809443 COC1=CC=CC(=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F 1 1.763 2 4 0 -8.64133313713227 809441 COC1=CC=CC=C1C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F 1 1.763 2 4 0 -10.5840118351878 809440 C1=CC(=CC=C1C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F)O 1 1.538 2 4 0 -5.80066086658802 809438 C1=CC(=CC(=C1)O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F 1 1.538 2 4 0 -6.09941310059634 809436 C1=CC=C(C(=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F)O 1 1.538 2 4 0 -5.01191489606048 809432 C1=CC=C(C(=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F)F 1 1.985 2 3 0 -10.7790289270283 809430 CC1=CC=C(C=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F 1 2.266 2 3 -7.68053497772717 809429 CC1=CC=CC(=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F 1 2.266 2 3 -7.50268410346918 809426 C1=CC=C(C=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F 1 1.78 2 3 0 -8.47618254523651 809424 COC1=CC=C(C=C1)S(=O)(=O)NNC(=S)N 1 0.674 3 3 0 -7.72206610891094 809418 C1=CC=C(C=C1)/C=C/C(=O)NNC(=O)C2=CC=CO2 1 1.734 2 3 0 -5.7064049846853 809415 C1=CC=C(C=C1)/C=C/C(=O)NNC(=O)C2=CC=CS2 1 2.292 2 2 -7.63010891391342 809335 CN(CC1=CC=CC=C1)C(=O)COC2=CC=CC=C2 1 2.662 1 2 -8.28843428815951 809338 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2 1 4.022 1 1 -5.16697819129817 809340 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2 1 4.343 1 1 -4.4420606310936 809304 COC1=C(C=C(C=C1)/C=C\2/C(=NOC2=O)C3=CC=CC=C3)OC 1 3.354 1 4 -2.80668590488503 809302 COC1=C(C=C(C=C1)/C=C/2\C(=NOC2=O)C3=CC=CC=C3)OC 1 3.354 1 4 -2.80668590488503 809297 C1CCCC(=NNC(=O)CCSC2=CC=C(C=C2)Cl)CC1 1 4.17 2 1 -7.08396944910158 809289 C1=CC=C(C(=C1)CSCC(=O)NN=CC2=CC=CO2)Cl 1 3.143 2 2 -10.6275156693262 809287 C1CCCC(=NNC(=O)CSCC2=CC=CC=C2Cl)CC1 1 3.929 2 1 -13.4173489675286 809284 C1=COC(=C1)C=NNC(=O)CSCC2=CC=C(C=C2)Cl 1 3.143 2 2 -8.01233617128323 809282 C1CCCC(=NNC(=O)CSCC2=CC=C(C=C2)Cl)CC1 1 3.929 2 1 -10.8995636960104 809277 CC1=CC(=NC(=N1)SCC(=O)OC)C 1 1.386 2 2 0 -11.9885444719529 809243 C1=CC=C(C=C1)CC(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2 1 2.65 2 3 -5.38645285967624 809238 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NNC(=O)C3=CC=CS3 1 2.568 2 3 -7.99775298414293 809224 C1=CSC(=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.192 2 3 -8.60696217721979 809222 COC1=CC=CC=C1CC(=O)NNC(=O)C2=CC=CS2 1 1.843 2 3 0 -12.4868053937926 809220 CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CS2 1 0.945 3 3 0 -10.7621539564354 809216 C1=CSC(=C1)C(=O)NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.754 3 4 0 -11.7748567579486 809211 C1=CC=C2C=C(C=CC2=C1)C(=O)NNC(=O)C3=CC=CS3 1 2.733 2 2 -4.32575966752765 809206 C1=COC(=C1)C(=O)NNC(=O)C2=CC=CS2 1 1.22 2 3 0 -7.14164233098556 809204 COC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC=CS2 1 1.643 2 4 0 -11.0051223961897 809200 C1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC=CS2 1 1.66 2 3 0 -11.0325078543395 809196 C1=CC=C2C(=C1)C=CC=C2CC(=O)NNC(=O)C3=CC=CS3 1 2.768 2 2 -9.2365166850442 809193 COC1=C(C=C(C=C1)CC(=O)NNC(=O)C2=CC=CS2)OC 1 1.827 2 4 0 -14.0702618992287 809174 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CS2)Br 1 2.573 2 2 -7.49275617632219 809172 C1=CSC(=C1)C(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.153 2 2 -3.96811009086549 809170 C1=CSC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 2.489 2 2 -5.1094044784879 809168 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CS2)Cl 1 2.489 2 2 -8.4110419861872 809167 C1=CSC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)F 1 2.03 2 2 -6.21952614360946 809165 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CS2 1 2.311 2 2 -6.93140316907471 809156 CC1=CC2=NC(=C(N2C=C1)NC(C)(C)C)C3=CC=CS3 1 4.236 3 0 -8.24918922455908 809141 CSC1=CC=CC(=C1)NC2=C3C=CC=CC3=NC2=O 1 2.75 2 1 -0.267381040227098 809128 C1=CC(=CC(=C1)Br)C(=O)NCC2=CC=CO2 1 2.551 1 2 -8.73930802217444 809053 COC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)Cl 1 3.098 1 3 -3.10192203973581 809048 COC1=CC=C(C=C1)OCC(=O)NCC2=CC=C(C=C2)Cl 1 3.104 1 3 -7.04624512264629 809046 COC1=CC=C(C=C1)OCC(=O)N2CCOCC2 1 0.75 1 4 0 -8.39081765859614 809038 C1=CC=C(C=C1)CC(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 1.73 2 3 0 -6.98588976158798 809032 C1=CC=C(C=C1)CCC(=O)NNC(=O)C2=CC=C(C=C2)Br 1 3.11 2 2 -10.5438941180714 809020 CC(C)C1=NN=C(S1)NC(=O)C2=CC=CS2 1 2.432 3 1 -10.983009953564 809018 CCCC1=NN=C(S1)NC(=O)C2=CC=CS2 1 2.425 3 1 -11.4574818326066 808904 CC1=C(C=CO1)C2=NC(=NO2)C3=CC=CC=N3 1 1.672 3 2 0 3.43511235606852 808870 CC(C)C1=C(N2C=CC=CC2=N1)NC3CCCCC3 1 4.188 3 0 -5.57532129679108 808869 COC1=CC(=CC=C1)OCC(=O)NC2=CC=NC=C2 1 1.283 2 3 0 -5.7855402326394 808867 COC1=CC(=CC=C1)OCC(=O)NNC(=O)CC2=CC=CS2 1 1.678 2 4 0 -10.8381562409827 808863 CC1=CC(=CC=C1)OCC(=O)NC2=NN=C(S2)C3=CC=CO3 1 2.73 3 3 -5.78767449181062 808862 C1CCC(CC1)NC2=C(N=C3N2C=CC=C3)C4=CC=CS4 1 4.676 3 0 -5.95927673686427 808844 C1=CC(=CC(=C1)Cl)NC(=O)NC2=NN=C(S2)C3=CC=NC=C3 1 2.435 5 1 -2.79588377143326 808838 CC1=CC(=NN1CC2=NC3=CC=CC=C3N2C)C 1 2.406 4 0 -3.76257162065606 808827 C1=CC=C(C=C1)C2=NN=C(O2)C3=C(C4=C(S3)C=CC=C4Cl)Cl 1 5.536 2 1 6.83859637265451 808826 C1=CC=C(C=C1)C2=NN=C(O2)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl 1 5.536 2 1 7.82100698066143 808821 C1=C(C=C(C=C1Cl)Cl)C(=O)NN2C=NN=C2 1 1.562 4 1 0 -3.80812700091847 808814 COC1=C(C=C(C=C1)C(=O)N2CCN=C2C3=CC=CC=C3)OC 1 2.738 2 3 -7.23285763426474 808806 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)/C=C/C(=O)O 1 -5.9e-002 2 3 0 -9.19698447889776 808781 C1CC(=O)N(C1=O)C2=CC(=C(C=C2)NCC3=CN=CC=C3)C(=O)O 1 0.861 3 4 0 -11.4975639234012 808767 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)N 1 1.792 2 2 0 -2.35268199104889 808756 C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O 1 2.365 1 5 -11.2146265282928 808753 C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3 1 3.89 3 2 1.53218582533084 808737 COC1=CC=CC(=C1)C(=O)NC2=CNC(=O)NC2=O 1 -0.539 3 4 0 -14.5308873992583 808733 CC1=CC2=NC(=C(N2C=C1)NCC3=CC=CC=C3)C4=CC=CS4 1 4.888 3 0 -5.21008200089911 808712 C1CN(CCN1)S(=O)(=O)C2=CC=CC=C2 1 0.368 2 2 0 -16.2179709303494 808688 COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=C(C=C3)O 1 3.264 1 3 -1.74960543434687 808687 CC(=O)NC1=NC2=C(S1)C=CC3=CC=CC=C32 1 2.484 2 1 -1.15940763970579 808606 C1CCC(C1)(CNC(=O)/C=C/C2=CC=CO2)C3=CC=CC=C3 1 3.939 1 2 -15.0547634482231 808586 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=CN4C=CC=CC4=N3 1 3.788 3 1 -2.18528473229736 808580 C1=CC=C(C=C1)CN(CCC(=O)N)S(=O)(=O)C2=CC=CC=C2 1 1.632 2 3 0 -11.9725025371219 808577 COC1=CC=CC=C1C(=O)NCC2(CCCC2)C3=CC=CC=C3 1 4.06 1 2 -18.1270153062869 808574 CC(C)C12CN3CC(C1=O)(CN(C2)C3C4=CC=CO4)C(C)C 1 3.116 2 2 -8.78712869143342 808571 CC(C)C12CN3CC(C1=O)(CN(C2)C3C4=CC=CC=C4O)C(C)C 1 3.473 2 2 -1.79657191200251 808569 CC(C)C12CN3CC(C1=O)(CN(C2)C3(C)C)C(C)C 1 2.032 2 1 -4.90692351311898 808564 C1COCCN1C(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2 1 -0.551 3 4 0 -6.43219170616269 808459 COCC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl 1 1.61 2 2 0 0.516399826456534 808451 C1=CSC(=C1)CC(=O)NCCC2=CC=C(C=C2)F 1 3.136 1 1 -10.1049016255542 808448 CC1=CC(=C(N1C2=CC3=C(C=C2)N=CC=C3)C)C=NN4C=NN=C4 1 2.398 6 0 1.76755062852955 808435 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N(C)C2CCN(CC2)C 1 2.85 3 1 -2.37809572596886 808421 CCN1C2=CC=CC=C2C3=NC4=CC(=C(C=C4N=C31)OC)OC 1 3.937 3 2 -3.42881751054894 808417 CC1=CC(=C(C=C1)F)NC(=O)CCOC2=CC=CC=C2C 1 3.876 1 2 -5.09292632516759 808416 CC1=CC=C(C=C1)OCCC(=O)NC2=CC(=C(C=C2)C)F 1 3.876 1 2 -4.0583424857718 808415 C1=CC=C(C=C1)SCC(=O)NC2=CC=NC=C2 1 1.857 2 1 0 -6.04928458589186 808409 CC1=C(C=C(C=C1)NC(=O)CCOC2=CC=CC=C2C)F 1 3.876 1 2 -3.86716256791507 808404 CC1=CC=C(C=C1)OCCC(=O)NC2=CC(=C(C=C2)F)Cl 1 4.054 1 2 -3.71499032597791 808403 CCN1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 1.785 2 3 0 -5.30823806297723 808397 CC1=CC(=NO1)NC(=O)COC2=CC=C(C=C2)C(C)(C)C 1 2.989 2 3 -10.9710589955344 808394 C1C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)O1 1 2.337 2 3 -4.81241683280996 808392 C1=CC=C(C=C1)NC(=O)NCCC2=CC=C(C=C2)F 1 3.056 2 1 -5.07671893943286 808385 C1CN(CC2=CC=CC=C21)C(=O)NC3=CC=CC=C3 1 2.81 2 1 -9.08626262318668 808384 CC1=NC(=CC=C1)NC(=O)NC2=CC(=CC=C2)F 1 2.399 3 1 -0.532639690507671 808383 CC1=CN=C(C=C1)NC(=O)NC2=CC(=CC=C2)F 1 2.603 3 1 -2.77606279528192 808382 C1=CC=C(C(=C1)C=NO)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.118 2 4 3.08586676452512 808378 CCOC(=O)C1CCN(CC1)C(=O)C2CCCCC2 1 2.382 1 3 -8.72413830511611 808368 CC1=C(C=NC2=C(C=NN12)C3=CC(=CC=C3)Br)C(=O)C 1 2.392 3 1 -3.95981471920643 808337 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=CC=CC=C3 1 3.472 2 1 -1.99066440370509 808336 CC1=CC=C(C=C1)C2=NN3C(=O)C(=NN=C3S2)C 1 2.748 4 1 -0.581845857154908 808331 CC1=CC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)OC 1 3.832 3 3 6.44257579113398 808302 CC1(CC(CC(N1)(C)C)NC=C2C(=O)CC(CC2=O)(C)C)C 1 0.909 2 2 0 -12.167418185024 808284 CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=O)C2=CC=NC=C2 1 2.193 3 3 -7.85651893012142 808281 CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=O)C2=CN=CC=C2 1 2.193 3 3 -9.02496190366668 808278 C1=CC=C(C(=C1)COC2=CC=CC=C2C=NO)F 1 3.429 1 2 4.54755799491667 808269 COC1=CC=CC=C1N(CC(=O)N2CCOCC2)S(=O)(=O)C 1 -0.116 2 5 0 -18.165425851545 808265 CS(=O)(=O)N(CC(=O)NCC1=CC=CO1)C2=CC=CC=C2Cl 1 1.436 2 4 0 -20.4308204135057 808262 CC(=O)NC1=CC=C(C=C1)N/C=C/C(=O)C2=CC(=C(C=C2)OC)OC 1 2.13 2 4 -8.71248248738862 808243 CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC4=CC=C(O4)C(=O)O 1 4.033 0 6 -9.49352385818357 808227 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCCC2 1 2.123 1 4 -7.95147945772862 808216 C1=CC=NC(=C1)C2=NOC(=N2)C3=CC=NC=C3 1 1.272 4 1 0 6.07241058508183 808206 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(O3)C(=O)OC)C 1 4.174 0 6 -7.28737239934433 808203 C1CN(CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)F 1 3.015 2 1 -8.04931846233568 808195 CC1=CN=C(C=C1)NC(=O)NC2=CC=CC=C2OC 1 2.381 3 2 -9.2260220333967 808194 CC1=CC=C(C=C1)C2=C(C(=O)CC2)CC(=O)O 1 2.424 0 3 -6.28753061522023 808191 CCN(C1=CC=CC=C1C)C(=O)C2=CC(=CC=C2)F 1 3.861 1 1 -8.31722235965462 808190 COC1=CC=CC=C1NC(=O)NC2=CN=CC=C2 1 1.355 3 2 0 -7.52907522726004 808184 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCOC2=CC=C(C=C2)C 1 3.388 1 4 -9.96481717735025 808178 C1=CC(=CC=C1CNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])Cl 1 3.844 2 3 -6.66014474781064 808175 CCOC1=C(C=CC(=C1)C=NO)OCC2=CC=C(C=C2)C 1 4.042 1 3 -1.74193134395988 808166 CC1=C(C=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C(=O)C 1 2.59 3 1 -3.65108750403392 808156 CC(=O)N(C1=CC=C(C=C1)Cl)C2=CNC3=CC=CC=C32 1 3.69 2 1 0.54655452301796 808142 CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCCC2 1 3.177 1 2 -4.6167141735668 808139 CC1=C(C=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32)C 1 2.302 2 3 -14.8008043003081 808137 CCN(CC)C(=O)COC1=CC(=C(C(=C1)C)Cl)C 1 3.413 1 2 -6.88223851025141 808132 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCSC2=CC=CC=C2 1 3.598 1 3 -11.8592628316594 808127 COC1=CC=CC=C1N(CC(=O)N2CCCCCC2)S(=O)(=O)C 1 1.569 2 4 0 -16.5971294017694 808122 CC(=O)NC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.464 3 5 0 -9.6499934740894 808119 C1=CC(=CC=C1C2=CC=C(O2)CCC(=O)O)Cl 1 3.398 0 3 2.85789232977589 808118 CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(C)C 1 3.236 1 2 -10.2193606493144 808117 CCNC(=O)COC1=CC(=C(C(=C1)C)Cl)C 1 2.859 1 2 -5.61776734211747 808086 CC1=C(C=CO1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.488 2 4 0 -6.67485722758379 808077 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)OC)OC 1 3.128 2 4 -12.7355548303591 808062 CC1(CC(CC(N1)(C)C)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C 1 2.389 2 2 -10.6144442164036 808034 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NNC(=O)C3=CN=CC=C3 1 1.332 3 3 0 -9.50997187653894 808022 CC(=O)NC1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.332 3 5 0 -13.3314017202058 808017 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(O3)C(=O)O 1 3.928 0 6 -9.54083393311165 808016 C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.997 2 6 0 -10.8736326097802 808014 C1=CC=C(C=C1)CC(=O)NNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.503 3 5 0 -14.2508288906742 808012 CC(C)C(=O)NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-] 1 0.934 3 5 0 -15.7426466474473 808009 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NNC(=O)C2=CN=CC=C2 1 0.318 4 5 0 -15.2536067413538 808008 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NNC(=O)C2=CC=C(C=C2)O 1 1.227 3 6 0 -11.2931775934949 808006 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NNC(=O)C2=CC=C(C=C2)F 1 1.674 3 5 0 -12.4611746791688 808002 C1CCC(CC1)C(=O)N2CCN(CC2)C3=CC=CC=C3F 1 3.541 2 1 -0.388082640910269 807998 C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Cl)C=NO)Cl 1 4.552 1 2 7.57420135879944 807995 COC1=C(C=C2CCCCC2=C1)NC(=O)C3=CC=CC=C3F 1 4.316 1 2 -10.883323923428 807989 CC1=C(C=CO1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.718 3 6 0 -10.5912537055278 807982 COC1=C(C=C(C=C1)C(=O)/C=C/N2CCCCC2)OC 1 2.609 1 3 -5.14236227480325 807971 CCN(C1=CC=CC=C1C)C(=O)N2CCOCC2 1 1.88 2 2 0 -13.4190078773336 807967 C1=CC=C(C(=C1)COC2=CC=CC=C2C=NO)Cl 1 3.888 1 2 5.43401463360772 807954 C1CN(C2=CC=CC=C21)C(=O)C3=CC(=CC=C3)F 1 3.1 1 1 -8.5327664113546 807933 C1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.863 2 3 -7.3987539708957 807932 CC1=CC(=C(C=C1)CSC2=NN=C(O2)C3=CC=NC=C3)C 1 3.617 3 1 -6.5523014420586 807924 CCOC1=CC=CC=C1N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2 1 2.337 1 5 -15.7532188150805 807922 C1CCC(C1)NC(=O)CC2=CC=C(C=C2)F 1 2.68 1 1 -6.53640688805063 807915 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)C2=CC=CC=C2F 1 2.922 1 4 -14.1299738948592 807912 C1CCCC(CC1)NC(=O)CC2=CC=C(C=C2)F 1 3.592 1 1 -6.89087540221871 807904 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N 1 1.319 2 3 0 -7.04918534424755 807900 CC1=C(C=C(C=C1)OCC(=O)NCCN2CCOCC2)C 1 1.672 2 3 0 -10.8964053212416 807898 C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3 1 5.933 2 1 -4.75720298873745 807892 CCOC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)OC 1 1.904 2 4 0 -5.41469760164004 807887 COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=CC=C3 1 3.617 2 2 -5.1364055615152 807886 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Br 1 1.636 2 3 0 -11.8068109695408 807883 CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=NO 1 3.574 1 3 -4.11591787551244 807871 C1=CC=C(C=C1)C2=CNC(=S)N2C3=CC=CC=C3 1 3.835 2 0 -0.454370863077129 807868 CC1=C(C(=CC=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C)C 1 0.872 2 4 0 -15.3893114808868 807852 CC(=O)NC1=C(C=C(C(=C1)OC)NC(=O)C2=CC=CC=C2)OC 1 1.702 2 4 0 -12.566362785209 807848 CC(C)C1=C2CCCCC2=C(C(=N1)N3CCOCC3)C#N 1 3.252 3 1 -7.62332116631546 807833 COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)F 1 2.71 1 3 -6.97408728811667 807830 C1CCC2=C(C1)C(=NN2CC(=O)N3CCOCC3)C(F)(F)F 1 2.187 3 2 -9.95665249260982 807828 C1=CC=C2C(=C1)C=CC=C2COC3=C(C=C(C=C3)Cl)C=NO 1 4.796 1 2 9.7441915370385 807827 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NCCC2=CC=C(C=C2)F 1 3.51 2 3 -7.42514076556483 807814 C1=CC=C2C(=C1)N=NN2C(=O)C3=CC(=CC=C3)F 1 3.294 3 1 0.160067246646817 807804 C1=CC(=CC=C1CC(=O)NC2=NC=C(C=C2)Cl)F 1 2.907 2 1 -2.31186774115993 807803 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSCC3=CC=CC=C3 1 3.479 2 1 -6.3393793285953 807780 CC1=CC(=NO1)NC(=O)C2=CC(=CC=C2)F 1 1.958 2 2 0 -12.2584706854745 807776 CCOC1=CC2=C(C=C1)NC(=C(C2=O)CN3CCCCCC3)C 1 3.466 2 2 -5.52053646410768 807772 CCOC(=O)C1=C(N=C(S1)NC2=CC=CC=C2)C 1 2.518 2 2 -6.03809931053905 807741 CCOC1=C(C=C(C=C1)Br)C=NO 1 2.737 1 2 6.31613617694978 807738 CCCN1C2=CC=CC=C2N=C1SCC(=O)O 1 2.988 2 2 -11.3450608022438 807729 C1=CC=C2C(=C1)C=CC(=C2C=NO)OCC3=CC=C(C=C3)Cl 1 4.796 1 2 10.0650326306431 807719 C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=NO)Br 1 3.972 1 2 2.86377911555604 807711 COC1=CC=C(C=C1)C2=CC3=NC4=C(CCC4)C(=O)N3N2 1 1.645 3 2 0 -3.86949296731851 807705 CC1=C(SC(=S)N1C)NC(=O)OC2=CC=CC=C2 1 3.961 2 2 -4.69549230238463 807691 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC2=O 1 2.993 2 1 -6.97914074312535 807690 C1=CC=C(C(=C1)C=NO)OCC2=CC=C(C=C2)Cl 1 3.888 1 2 7.41371330538289 807688 C1=CSC(=C1)CC(=O)NCC2=CC=C(C=C2)Cl 1 3.274 1 1 -9.58633347229839 807677 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2 1 2.863 1 3 -8.71717100492368 807675 CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC=CC=C2O 1 3.198 2 2 -1.24532249413454 807671 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2O)C 1 1.797 2 2 0 -1.61215960265334 807668 C1CN(C2=CC=CC=C21)C(=O)CCCC3=CC=CC=C3 1 3.842 1 1 -11.0968228024774 807650 CC(=NNC(=O)C1=CNC2=CC=CC=C21)C3=CC=CO3 1 2.352 3 2 -1.87652980057357 807639 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=CC=NC=C2 1 1.882 2 4 0 -7.50342927460261 807630 C1=CC=C2C(=C1)C(=CN2)C(=O)NN=CC3=CC=CS3 1 2.93 3 1 -3.11058437457896 807628 CCN(C1=CC=CC=C1)C(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 3.715 2 2 -7.85461895817495 807627 C1=CC=C2C(=C1)C(=CN2)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.871 4 3 0 -3.76269820458802 807624 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2=CC=C(C=C2)F 1 3.235 2 3 -7.60905372977302 807623 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=CC=NC=C2 1 2.468 2 4 -13.9557053184549 807615 COC1=CC2=C(C=C1)C(=C(S2)C(=O)NN=CC3=CC=NC=C3)Cl 1 3.333 3 2 -2.03039951702066 807612 CCOC(=O)C1CCN(CC1)C(=O)CSC2=CC=CC=C2 1 2.313 1 3 -10.1474602123307 807610 C1=CC=C(C=C1)CS(=O)(=O)NCCC2=CC=C(C=C2)F 1 2.858 1 2 -6.12482368881087 807607 COC1=CC2=C(C=C1)C(=C(S2)C(=O)NN=CC3=CN=CC=C3)Cl 1 3.333 3 2 -1.82973291682085 807603 COC1=CC(=C(C=C1)NC=C2C(=O)C3=CC=CC=C3C2=O)OC 1 2.544 1 4 -4.41110378927915 807598 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CC=C3 1 1.868 3 2 0 -11.2964895072139 807597 C1=CC=C(C(=C1)COC2=C(C=C(C=C2)C=NO)Cl)F 1 4.093 1 2 1.85724752346449 807580 CC(=O)OC1=CC=CC(=C1)C(=O)NC2=CNC(=O)NC2=O 1 -0.755 3 5 0 -16.7739722181462 807578 CC1=CC(=NC2=C(C(=NN12)C(=O)O)Br)C3=CC=CC=C3 1 3.139 3 2 -3.13661204642321 807565 CC1=CC(=NC2=CC(=NN12)C(=O)NCC3=CC=CO3)C4=CC=CC=C4 1 2.734 4 2 -14.7456002415314 807563 CC1=CC(=NC2=CC(=NN12)C(=O)OC(C)C)C3=CC=CC=C3 1 3.342 3 2 -12.424928942673 807561 CC1=CC(=NC2=CC(=NN12)C(=O)N)C3=CC=CC=C3 1 1.763 4 1 0 -7.25748718765969 807557 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NC3=CC=C(C=C3)OC 1 3.21 4 1 2.21548011087345 807556 C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.975 3 3 0 -5.53380598725882 807554 C1=CC=C(C=C1)CC2=NC(=NO2)C3=CC=CC=N3 1 2.457 3 1 0.392359899224797 807549 CC1=C(C=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCCC3)C 1 4.045 2 2 -3.69641244957881 807538 C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3NC2=S)Cl 1 4.39 2 1 -3.41513077276268 807523 CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2)OC 1 3.303 1 1 0.566992520142117 807518 CCCC1=NN=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.356 4 3 0 -13.5300032201952 807517 CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32 1 1.662 2 4 0 -17.1812610313874 807494 CC1=C(C=C(C=C1)C(=O)NN2C=NN=C2)Cl 1 1.383 4 1 0 -5.78062111755187 807493 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3C(=O)O 1 2.019 1 5 -11.0161177441176 807492 CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)C=NN3C(=NN=N3)N 1 2.166 7 3 0 -2.59648345301716 807487 C1CCN(CC1)C(=O)NC2=CC=CC=C2OC(=O)N3CCCCC3 1 2.956 3 3 -8.89991936152862 807484 C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3NC2=S 1 4.469 2 1 -7.40121082710841 807480 CCC1=NN=C(S1)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.749 3 2 -4.76580153797598 807479 CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCC3 1 3.947 2 2 -4.8036201939861 807474 CC1=C(C=CC(=C1)N2CC3=CC=CC=C3C2)C=O 1 3.574 1 1 0.910402955094758 807463 CCOC1=CC=C(C=C1)C=NNC(=O)NC2=CC=CC=C2 1 2.924 3 2 -4.60446305061306 807462 CCC1=CC=C(C=C1)OCC(=O)NC2CC(NC(C2)(C)C)(C)C 1 2.555 2 2 -12.9714466164298 807459 C1=CC=C(C(=C1)NC2=NC(=O)C(S2)(CO)CO)Br 1 1.65 2 3 0 -0.613798539678782 807457 CC1=C(C=C(C=C1)C(=O)N2CCOCC2)Cl 1 2.082 1 2 -5.99033916080172 807430 CN1C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3F 1 2.893 2 1 -6.07908066445571 807412 CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CO3 1 3.629 0 5 -9.2089964861396 807405 CC1=C(C(=CC=C1)N2N=C3C(=[N+]2[O-])CCC4=NON=C43)C 1 2.329 5 2 0 -2.71748297475306 807399 C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CS3 1 3.271 3 3 -20.7557027505961 807394 CC1=NC=C(N1CC(=O)NCC2=CC=CC=C2)[N+](=O)[O-] 1 0.846 4 3 0 -17.9550598060489 807356 CC1=CC(=NN1C2=CC(=C(C=C2)Cl)C(=O)O)C 1 2.778 2 2 -4.28391554441614 807289 CC(C)CC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CN=CC=C3 1 2.625 3 2 -0.912182852350413 807336 CC(C)CC(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)OC 1 2.488 2 4 -16.0993455205989 807315 CC1=CC(=NC(=N1)N2CCOCC2)NC3=CC=CC=C3 1 1.536 4 1 0 1.51824425378986 807311 CC1=CC(=NC(=C1C#N)N(C2=C(C=CC(=C2)Cl)OC)C(=O)C)C 1 3.417 3 2 -6.63766103018335 807277 CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=NN3C=NN=C3 1 2.366 4 3 0 -0.222152383038214 807264 C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=CC=C3)N 1 2.494 3 0 8.8806563562155 807261 CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC=NC=C2 1 2.271 2 2 -4.12024797587244 807244 CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=N2)Cl 1 2.836 2 1 -9.0480194597874 807243 CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)Cl 1 3.533 1 3 -7.0540152906024 807237 CCCC1=NN=C(S1)NC(=O)C2=CN=CC=C2 1 1.321 4 1 0 -12.8126930184565 807225 C1CCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)C#N 1 1.935 3 1 0 -10.4041594444242 807221 CCC1=CC=C(C=C1)OCC(=O)NC(C)(C)C 1 2.747 1 2 -10.3176031397392 807212 C1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.494 1 3 -2.11068246491944 807208 CC1=C(C2=CC=CC=C2N1CCOC3=CC=CC=C3F)C=O 1 4.071 1 2 -1.72241215883972 807202 C#CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=CC=CC=C4C3=O 1 4.927 1 2 0.223901690719751 807158 CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3NC2=S 1 2.504 3 3 -11.9402786999484 807148 CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCCC3 1 4.404 2 2 -5.15808870815417 807134 CC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3N=N2)C 1 3.869 3 1 -7.87030304652907 807121 CC1=C(C2=CC=CC=C2N1CC(=O)O)C=O 1 1.715 1 3 0 -4.26794199560247 807111 CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C3=CC=CO3 1 4.571 0 5 -6.72098700511511 807090 C1=CC=C2C(=C1)C=C(C(=NO)O2)C(=O)NC3=CC=CC=C3Cl 1 3.376 2 3 -4.05009096254705 807086 COC1=CC=CC(=C1)OC2=CC=C(C=C2)N 1 2.627 1 2 4.62627702838221 807083 COC1=CC2=C(C=C1)OC(=NO)C(=C2)C(=O)NC3=CC=CC=C3OC 1 2.679 2 5 0 -5.96988921086241 807081 COC1=CC=CC(=C1)NC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=NO 1 2.679 2 5 0 -4.79872287878959 807074 COC1=CC=CC(=C1)NC(=O)C2=CC3=CC=CC=C3OC2=NO 1 2.695 2 4 -4.12630707271949 807071 C1COCCN1C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 2.891 1 4 -7.24039843371257 807069 CC1=NN2C=C3C(=C2C(=C1)C4=CC=CC=C4)N(C(=O)N(C3=O)C)C 1 2.005 4 2 -6.99534068103122 807066 CC1=CC=CC=C1NC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=NO 1 3.181 2 4 -7.05924498680275 807061 CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=NO 1 3.181 2 4 -2.697257106994 807058 CN(C)C(=O)N1C=NC(=C1C2=CC=CC=C2)C3=CC=CC=C3 1 3.665 3 1 1.6338193370223 807055 CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 3.134 5 3 0 -11.9977421522663 807012 CCCC1=NN=C(S1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.604 4 3 0 -15.4280522280017 807000 CC(C)CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Cl 1 3.774 2 2 -11.3113685451614 806991 CC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3)Cl 1 3.145 3 1 7.35169090031562 806965 CCCC1=NN=C(S1)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.205 3 2 -3.2610135929021 806956 CC1=CC(=NN2C1=C3C(=C2C4=CC=CC=C4)C(=O)N(C(=O)N3C)C)C 1 2.92 4 2 -6.91919171207657 806954 C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)Cl 1 3.855 2 1 -2.09277900695257 806942 C1=CC=NC(=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 2.752 4 1 -6.78909783320225 806931 COC1=C(C=C(C=C1)NC(=O)CC2CCCCC2)OC 1 3.289 1 3 -12.0181132687475 806905 CC1=C(C(=CC=C1)OCC(=O)NC2=CC=C(C=C2)N3CCCC3)C 1 4.045 2 2 -1.72047111190677 806872 C1CCC(CC1)CC(=O)NCC2=CC=CO2 1 2.511 1 2 -15.1454789295245 806859 CS(=O)(=O)N1CCN(CC1)C(=O)CCC2CCCC2 1 0.959 2 3 0 -19.703838326436 806836 CC(C)OC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=O)Cl 1 4.04 0 4 -3.88793014829664 806823 C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 2.967 3 4 0 -5.60489825177033 806798 CC1=C(C(=CC=C1)N(CC(=O)N)S(=O)(=O)C)C 1 0.773 2 3 0 -9.04581949742546 806786 COC1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/C(=O)NCC3=CC=CC=C3 1 4.551 1 2 -7.82590893270432 806783 CN(C)C(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 1 3.203 1 3 -6.07119446222192 806776 CC1=C(C=CC=C1F)NC(=O)CSCC(=O)NC2=CC=CC=C2 1 2.759 2 2 -7.25705504269364 806763 C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2CC(=O)O)F 1 0.547 5 3 0 -26.0620993884306 806744 COC1=CC=CC(=C1)OC2=NC=C(C=C2)N 1 2.015 2 2 1.73414710696977 806743 C1CCN(C1)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)Cl 1 3.937 2 1 -1.92361137205722 806742 C1COC2=C(O1)C=CC(=C2)C(=O)OC3=CC=CC4=C3N=CC=C4 1 3.234 1 4 -11.7794638610953 806688 C1CCC(CC1)CC(=O)NCC2=CC=CC=N2 1 2.393 2 1 -15.1967458484297 806695 C1CCC(CC1)CC(=O)NCC2=CC=CC=C2Cl 1 3.993 1 1 -14.3556316854654 806700 C1CCC(CC1)CC(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.969 3 1 -6.75081539471342 806702 C1CCC(CC1)CC(=O)NC2=NC3=CC=CC=C3S2 1 3.947 2 1 -4.34330802603361 806723 CC1=C(C=C(C=C1)OCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC)C 1 3.92 2 4 0.144911244814401 806713 CCC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 3.856 2 2 -1.66052768932228 806710 CC1=CC2=NN(N=C2C=C1NC(=O)CC(C)C)C3=CC=C(C=C3)OC 1 4.137 4 2 -11.0547998881098 806707 C1CCC(CC1)CC2=NC(=NO2)C3=CN=CC=C3 1 2.702 3 1 1.73275996081007 806670 CCN(CC)C(=O)N1C=NC(=C1C2=CC=CC=C2)C3=CC=CC=C3 1 4.363 3 1 -1.32027292710993 806668 CN(C)C(=O)OC1=CC=C(C2=CC=CC=C21)Cl 1 3.372 1 2 -1.56758117630592 806645 CC1=CC(=C(C=C1)C)OCC(=O)NC2CCCCCC2 1 4.16 1 2 -6.71432584254509 806583 CC1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)Br)OC)C 1 4.319 1 2 -4.08164786350952 806575 COC1=CC=CC(=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2 1 2.051 2 3 -7.16025628033669 806574 CC1=C2C(=NN=C(C2=C(N1CC3=CC=C(C=C3)Cl)C)C)C 1 3.524 3 0 -1.80740522438079 806572 CC1=C(C(=C(N1C2=CC=C(C=C2)O)C)C(=O)C)C(=O)C 1 2.234 1 3 -0.663742977831751 806571 C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2/C=C/3\C(=O)NC(=O)N3 1 1.356 3 4 0 -13.2074824472516 806569 CC(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)OC)OC 1 1.861 2 3 0 -2.05892313341949 806562 CC1=C(C(=CC=C1)OCC(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2)C 1 4.931 1 2 -2.9659882083978 806545 COC1=C(C=CC(=C1)N2CC3=CC=CC=C3C2)C=O 1 3.072 1 2 0.414372748935809 806492 C1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-] 1 4.173 2 3 -6.87369170950469 806488 COC1=C(C=C(C=C1)C(=O)OC2=CN=CC=C2)OC 1 2.078 1 4 -11.3552565136362 806456 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)Cl 1 3.688 2 2 -5.52569742124723 806451 CC1=CC(=C(N1C2=C(C=C(C=C2)Cl)Cl)C)C=NN3C=NN=C3 1 3.541 5 0 2.79143710311165 806449 CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CO2 1 3.493 2 3 -9.0043599649242 806424 C1COCCN1C(=O)NC2C3=CC=CC=C3C4=CC=CC=C24 1 2.147 2 2 -7.6962916659554 806411 CC1=C(C2=CC=CC=C2N1)CC3=NNC(=S)N3C 1 2.575 4 0 -2.74269490638154 806394 CC(C)OC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=O 1 3.376 0 4 -4.65519783099775 806332 CN1CCN(CC1)C(=O)C2=CC(=C(C=C2C(=O)O)Cl)Cl 1 -0.875 2 3 0 -3.45403979432113 806314 COC1=C(C(=CC(=C1)Cl)C=O)OCC(=O)O 1 1.702 0 5 0 -5.67533055862236 806303 CC1(CN2C(N2C1)C3=CC=C(C=C3)OC)C 1 1.95 2 1 0 -1.54102851885193 806288 C1=CC(=CC(=C1)Cl)C(=O)NC(=S)NCC2=CC=CO2 1 3.341 2 2 -8.87434381101021 806279 CCC(=O)NC1=CC(=CC=C1)Br 1 2.365 1 1 -2.23745091360126 806277 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C 1 0.583 2 4 0 -11.0860804018292 806256 C1=CC=C(C=C1)CCNC(=S)NC(=O)C2=CC=CC=C2F 1 4.021 2 1 -11.7206185991498 806248 C1=CC(=C(C=C1Br)C=NN2C=NN=C2)F 1 1.999 4 0 0 4.78240879461192 806230 CN1C=CC=C1C=NN2CCN(CC2)C3=CC=CC=N3 1 2.172 5 0 -0.382929015672568 806216 COC(=O)COC1=NN(C(=O)C=C1)C2=CC=CC=C2 1 1.388 2 4 0 -7.5251490130545 806210 C1CCC2=C(CC1)SC3=C2C(=O)OC(=N3)C4=CC=CS4 1 4.72 1 2 -15.1801195464587 806209 CC1(CC2=C(C(=O)C1)C(=NO2)CC3=CC=CC=C3)C 1 3.115 1 2 -12.2546084068938 806205 C1CCC2=C(CC1)SC3=C2C(=O)OC(=N3)C4=CC=CO4 1 4.162 1 3 -11.42798250644 806181 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=CS3 1 2.985 3 2 -11.9604156108539 806179 C1=CC(=C(C(=C1)Cl)C=NN2C(=NNC2=S)C3=CN=CC=C3)F 1 3.466 5 0 -6.36467204562512 806175 CC1CCN(CC1)C(=O)COC2=CC=CC=C2F 1 2.453 1 2 -9.20796798121857 806173 C1=CC=C(C=C1)CC2=NC(=S)C3=CC=CC=C3N2 1 3.427 2 0 -4.85373351760593 806171 CC1=CC(=NC2=CC=CC=C12)NC3=C(C=CC(=C3)OC)OC 1 3.921 2 2 7.4560845832831 806167 CC1=CC=C(O1)C2=NC3=CC=CC=C3N2C 1 3.017 2 1 5.88001147434993 806165 CC1=CC(=NC=C1)NC2=NC(=CS2)C3=C(C=C(C=C3)O)O 1 3.077 3 2 12.6304020981386 806154 C1CCCN(CC1)C(=O)NC2CCCCC2 1 2.807 2 1 -9.60414725613678 806143 CC1=CC=C(C=C1)NC(=S)N2CCCC2 1 3.995 2 0 -10.2652680607688 806094 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)C 1 2.844 2 2 -4.74547026314362 806093 COC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2O 1 2.521 2 4 -0.902428147884344 806077 COC1=CC=C(C=C1)CC2=NC(=NO2)C3=CC=NC=C3 1 2.012 3 2 2.65656094414811 806045 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCC3)OC 1 3.205 2 3 -8.16043225444971 806031 CC(=O)C1=CC=C(C=C1)OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.327 0 3 -3.27421045746781 806016 CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 4.552 4 0 -5.67120560856012 806009 CC(=O)C1=CC=C(C=C1)NC(=O)OC2=CC=CC=C2 1 2.91 1 3 -4.82414461920518 806002 C1=CC(=CC(=C1)F)NC(=S)NCC2=CC=C(C=C2)Cl 1 4.965 2 0 -3.29497708439505 805985 CC1=C(SC(=N1)NC(=O)COC2=CC=CC=C2OC)C(=O)OC 1 1.86 2 5 0 -13.4519863884271 805979 C1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3S2 1 4.476 2 0 -0.812870858033705 805978 CCNC(=S)NC1=C(C=CC(=C1)Cl)OC2=CC=CC=C2 1 5.085 2 1 -4.31970132239046 805974 CN1CCN(CC1)NC(=S)NC2=CC=CC=C2OC 1 2.095 4 1 -5.29883131417514 805957 COC1=CC=C(C=C1)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2 1 3.539 1 4 -10.9902298879362 805949 COC1=CC=CC=C1NC(=S)N2CCCC2 1 3.492 2 1 -12.2364772565652 805935 COC1=CC=CC=C1NC(=S)NCCN2CCOCC2 1 2.322 3 2 -12.9634417314321 805934 C1CCC2=C(C1)N=C(S2)NC(=S)NC(=O)C3=CC=CC=C3 1 3.681 3 1 -11.7779489003957 805926 CCCC1=NN=C(S1)NS(=O)(=O)C2=CC=CC=C2 1 2.175 3 2 -9.27240178779316 805925 COC1=CC=CC=C1C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4 1 5.171 2 1 2.69987198622999 805923 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=CC=C2 1 1.719 3 2 0 -10.777189732867 805906 CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3CCCCC3)C 1 5.653 3 0 -3.26772201284692 805902 C1CCC(CC1)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 5.06 3 0 -3.73676255236303 805900 CCSC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C 1 2.311 4 2 -9.71229450759727 805899 CC1=C(C=CC(=C1O)C(=O)COC2=CC=CC=C2F)O 1 3.277 0 4 4.60224022719356 805897 CC1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2 1 3.616 2 1 -15.483710575845 805894 CC1=C(SC(=N1)NC(=O)COC2=CC=C(C=C2)OC)C(=O)OC 1 1.86 2 5 0 -10.1266238754538 805886 CC(C)CSC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C 1 3.154 4 2 -11.01807647294 805879 CC1=CC(=C(C=C1)C)NC(=S)C2=NC3=CC=CC=C3S2 1 5.449 2 0 -1.62834578347017 805877 CC(C)SC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C 1 2.689 4 2 -7.23621453426207 805876 CC1=C(OC2=CC=CC=C12)C(=O)NCC3=CN=CC=C3 1 2.552 2 2 -1.04468908841432 805875 CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=CC=C2 1 2.958 3 3 -14.869115334689 805871 CN(C)C1=CC=C(C=C1)C=NOC(=O)NC2=CC=CC=C2Cl 1 3.879 3 2 -2.74115432413051 805864 CC1=CC=C(C=C1)NC(=O)ON=CC2=CC=C(C=C2)F 1 3.744 2 2 1.64709028185208 805861 C1=CC=C(C=C1)NC(=O)ON=CC2=CC=C(C=C2)F 1 3.257 2 2 1.49043614347873 805857 CC1=CC=C(C=C1)NC(=O)ON=CC2=CC=C(C=C2)Br 1 4.287 2 2 1.30055220187221 805851 CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=NO)OC 1 2.327 2 4 -5.50272689264246 805838 COC1=CC=CC=C1NC(=S)NC2CCCC2 1 3.897 2 1 -9.59312903672848 805831 CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C3=C2N=CC=C3)C)C 1 4.259 2 1 -3.56221850394337 805821 CN(CCOC(=O)C1=CC=CO1)CC2=CC=CC=C2 1 2.802 1 3 0.757967047515806 805820 CC(C)COC1=CC=C(C=C1)/C=C/2\C(=O)C3=CC=CC=C3S2 1 4.87 0 2 -2.7844564875412 805815 COC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC=C2 1 2.436 1 4 -12.1608581400949 805809 COC1=CC=CC=C1NC(=S)NCC2=CC=CS2 1 3.819 2 1 -12.3809024174004 805806 CCNC(=S)NC1=CC=C(C=C1)Cl 1 3.525 2 0 -5.53253804482102 805803 C1CCC(C1)NC(=S)NC2=CC=C(C=C2)Br 1 4.662 2 0 -6.70051518315692 805798 CC1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=CC=CC=C3 1 5.075 3 0 -7.95936899600722 805795 C1COCCN1CCNC(=S)NC(=O)C2=CC=CC=C2 1 1.738 3 2 0 -13.4202093043305 805790 COC(=O)CN(N1C=NN=C1)S(=O)(=O)C2=CC=CC=C2 1 -0.151 4 4 0 -9.20404561565398 805757 COC1=CC=CC(=C1)NC(=S)NCC2=CC=CS2 1 3.819 2 1 -9.9098883237707 805756 C=CCN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=CC3=C2N=CC=C3 1 3.674 5 2 0 -7.82542144377644 805751 C/C=C/C1=CC=CC=C1OCC2=CC=C(O2)C(=O)OC 1 3.679 0 4 -5.25443580362315 805738 C1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)Br 1 5.165 2 0 -7.89359696758792 805726 CCNC(=S)N1CCN(CC1)C2=CC=CC=N2 1 2.56 4 0 -8.19588614711796 805720 CCN1C2=C(C(=O)OC3=CC=CC=C32)N=N1 1 2.201 3 2 -7.42136177100621 805710 COC1=CC=C(C=C1)CNC(=S)NC2=CC(=CC=C2)OC 1 4.063 2 2 -7.46718451790974 805709 CCN(CC)C(=S)NC1=CC=C(C=C1)OC 1 3.729 2 1 -8.5158827183017 805706 CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)C 1 3.743 3 2 -11.7739048288543 805699 CC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2 1 3.981 2 1 -9.91119125886714 805690 CN(C)C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2 1 4.148 2 0 -2.42252447601346 805682 C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)Br 1 5.119 2 0 -7.054983697325 805681 COC1=CC=C(C=C1)CNC(=S)NC2=CC(=CC=C2)F 1 4.284 2 1 -5.529941984126 805665 C1COCCN1CCNC(=S)NC(=O)C2=CC=C(C=C2)Cl 1 2.402 3 2 -10.8025630462344 805661 C1CCN(C1)C(=S)NC2=CC(=CC=C2)F 1 3.714 2 0 -8.47426239513838 805653 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)NC(=O)C3=C(C=C(C=C3)C#N)F 1 2.878 3 3 -6.64822964861087 805644 CC1=CC=C(C=C1)NC(=S)NCC2=CC=CS2 1 4.321 2 0 -9.75623328278945 805643 C1CCC(CC1)C(=O)NC(=S)NC2=CC=CC=C2F 1 4.433 2 1 -5.1793724950538 805566 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N 1 1.351 2 4 0 -6.98812109926776 805551 COC(=O)COC(=O)C1=CC=C(C=C1)O 1 1.15 0 5 0 -7.23017184142044 805542 COC1=CC=CC=C1NC(=S)NC2CCCCC2 1 4.354 2 1 -9.94759755089656 805519 C1=CC=C(C=C1)N2C=C(C=N2)CC(=O)C3=C(C(=C(C=C3)O)O)O 1 2.769 2 4 12.0216722089301 805518 COC1=CC=C(C=C1)NC(=S)N2CCC3=CC=CC=C3C2 1 4.689 2 1 -12.2921405215655 805513 CCNC(=S)NCC1=CC=C(C=C1)F 1 2.795 2 0 -6.63821290459701 805508 COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 4.049 4 1 -7.87442314450861 805501 CC1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)F 1 3.209 2 0 2.226527878113 805490 CCOC(=O)CCN1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)F 1 1.197 2 4 0 -12.7735012063228 805484 CC1=CC=CC=C1NC(=S)C2=NC3=CC=CC=C3C=C2 1 5.087 2 0 -3.71172871961485 805475 C1=CC=C2C(=C1)C(=O)C(=C(N2)O)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.339 2 3 -0.746527047922007 805466 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3CCCCCCC3 1 3.945 2 3 -3.64886213967814 805464 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3CCCCCC3 1 3.488 2 3 -3.64886213967814 805451 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC(=N3)C 1 3.294 3 3 -0.417756302109298 805450 CC1=NC(=CC=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC=C)O 1 3.038 3 3 -4.2568454188914 805432 C1CCN(C1)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.803 3 3 -15.0747500666978 805431 CC(C)COC(=O)CC1=C(NC2=CC=CC=C2C1=O)O 1 2.694 1 4 -8.64757803112157 805424 COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCCCC2 1 1.945 1 5 0 -12.3019583992134 805423 C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)NC4=CN=CC=C4 1 2.967 2 2 -0.136934316426686 805419 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)/C=C/C(=O)O 1 2.398 1 5 -1.0169395420936e-002 805416 C1CCC(CC1)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 4.069 4 0 -7.65243399191895 805412 C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)O)O 1 3.882 2 2 -2.25441435019184 805407 CN1CCN(CC1)C(=S)NC2=CC(=CC=C2)OC 1 2.989 3 1 -7.91896101452463 805406 COC1=CC=C(C=C1)NC(=S)C2=CC=CC=C2 1 3.969 1 1 -0.813197735680947 805404 COC1=CC=CC=C1NC(=S)NCC2=CC=CC=N2 1 3.143 3 1 -11.8084229391586 805390 C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC=NC=C3 1 2.645 3 1 -6.28883250442246 805384 C1CCC(=CC1)CCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.962 2 4 -12.6627641219655 805381 C1=CC2=C(C(=C1)OC(=O)CC3=CC=C(C=C3)Cl)N=CC=C2 1 4.147 1 2 -5.34139631221697 805377 CC1=C(C(CCC1)(C)C)CCC(=NNC(=S)N)C 1 3.588 3 0 9.81755510992573 805371 CC1=C(SC2=NC=NC(=C12)N[C@@H](CC3=CC=CC=C3)C(=O)O)C 1 3.613 3 2 -6.22544724511604 805363 C1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)F)F 1 2.933 2 1 -3.14980861224976 805362 C1CCN(C1)C(=S)NC2=CC=CC=C2Cl 1 4.173 2 0 -8.70409823758376 805351 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 2.678 2 3 -9.74506579682596 805348 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC(=CC=C2)O 1 1.818 2 4 0 -6.81129012606159 805345 C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)F 1 3.7 2 1 -9.18014689613164 805325 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)/C=C/C(=O)O 1 4.695 2 3 16.0760767909893 805323 CCOC1=CC=C(C=C1)NC2=NC(N=C(N2)N)(C)C 1 1.291 5 1 0 -0.804490347965958 805322 C1COC2=C(O1)C=CC(=C2)NC(=O)CSCC3=CC=C(C=C3)Cl 1 3.465 1 3 -11.4799643863014 805307 C1=CC=C(C=C1)CNC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.409 1 3 -9.59893944604042 805286 CCNC1=NC(=NC(=N1)OC)OC2=CC=C(C=C2)C(=O)OC 1 2.593 4 4 0 -8.52250312844511 805276 CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.459 2 3 -6.87956673976708 805273 CC(C)N1C(=NN=N1)C2=CC=C(C=C2)OC 1 1.775 4 1 0 -5.83216427142135 805266 COC1=CC=C(C=C1)C2OCC3(CO2)C(=O)N=C(S3)N 1 1.521 2 4 0 -6.85786283055771 805261 CC(C)CC1=CSC(=C1C(=O)O)NC(=O)C(C)C 1 3.146 1 3 -8.99905746546908 805255 C1=CC=C(C=C1)CC(=O)NN=CC2=CC=CC=C2OCC(=O)O 1 2.183 2 4 -9.46771062068813 805251 CCOC(=O)C1=CC2=C(N(C(=C2C=CC1=O)C)C3=CC=C(C=C3)C)C 1 4.147 1 3 -3.91087024177268 805244 CC1=C(SC2=C1C(=O)OC(=N2)C3=CC=CS3)C 1 3.512 1 2 -8.96819478109804 805236 C1CNCCC1CNC=C2C(=O)CC(CC2=O)C3=CC=CO3 1 0.332 2 3 0 -18.8986625279411 805229 CN1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 1.118 6 1 0 -16.5460289399662 805223 CC(=O)C1=C(C2=CC=CC=C2N1C)OC(=O)C3=CC=CO3 1 3.187 1 4 -3.19865599402796 805206 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2N=C(C=C3C)C 1 5.207 3 1 -6.56276372227235 805203 CCOC(=O)N1CCN(CC1)C(=O)CSC2=CC=C(C=C2)Cl 1 2.51 2 3 -4.50828447033557 805201 C1CCC(CC1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3F 1 2.924 5 1 -28.7369873153541 805196 CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.71 4 2 0 -13.9445462968218 805188 C1CCN(C1)CCN2C(=O)C3=CC=CC=C3NC2=S 1 2.741 3 1 -5.4448681821742 805148 CC1=CC=CC=C1C2=NC3=C(C(=C(S3)C)C)C(=O)O2 1 4.045 1 2 -6.48638329982062 805146 CC1=CC(=C(C(=C1)[N+](=O)[O-])O)N2N=C3C=CC=CC3=N2 1 3.31 4 3 0 -0.688844883451613 805142 CCCC1=NC2=CC=CC=C2C(=O)N1N 1 1.46 3 1 0 -5.95885587258714 805136 CCOC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)NC2=S 1 3.407 5 2 0 -2.24632764063949 805122 CC1CCC(CC1)N2C(=O)C3=CC=CC=C3NC2=S 1 4.252 2 1 -10.5430770322291 805109 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N 1 1.985 3 2 0 -3.65702064391184 805087 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)Cl 1 3.119 3 2 -0.425312416325473 805086 CCN1CCN(CC1)CCN2C(=O)C3=CC=CC=C3NC2=S 1 2.586 4 1 -6.06636482323496 805075 C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C3=CC=NC=C3 1 1.825 4 2 0 -10.4451547975807 805061 CC1=CC(=NC2=C1C=CC=C2NC(=S)NC(=O)C)C 1 3.057 3 1 -5.10027195695537 805060 COC1=CC=C(C=C1)NC=C2C(=O)C3=CC=CC=C3C2=O 1 2.561 1 3 -1.93080621310591 805057 CC1=CC(=NN1C(=O)CSC2=CC=C(C=C2)Cl)C 1 3.414 2 1 -5.53359824069336 805056 CC1CCN(CC1)CCN2C(=O)C3=CC=CC=C3NC2=S 1 3.449 3 1 -8.40692596013609 805052 CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=CN=CC=C2 1 1.713 3 2 0 -13.9451936794768 805047 C1CN(CCC1C(=O)N)C(=S)NCC2=CC3=C(C=C2)OCO3 1 2.019 3 3 -13.2088942838363 805045 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C 1 3.07 3 2 -15.9948075776017 805041 CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C=C2)OC 1 2.976 2 3 -5.9436521524559 805036 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CN=C2)Br 1 1.842 2 3 0 -7.13546749554227 805028 C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F 1 3.369 3 3 -6.12086388648654 805026 C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC=CC=C3C(F)(F)F 1 3.475 2 1 -3.85855659383478 804960 CC1=C(C2=CC=CC=C2N1)C3=CSC(=N3)N 1 2.466 3 0 6.50355764777273 804965 CC(=O)C1=C(C2=CC=CC=C2S1)OC(=O)C3=CC=CO3 1 3.55 0 4 -1.02816921007659 804966 C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)N 1 2.321 3 0 4.7244867840051 804967 CC1=C(C=C(C=C1)C=NN2C(=NN=N2)N)[N+](=O)[O-] 1 0.961 7 2 0 -7.00939772387905 804969 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=CO3)C 1 3.428 1 4 -3.25353645239904 804977 C1=CC=C2C(=C1)N=C(S2)SCC3=NNC(=S)O3 1 3.562 3 1 -6.31650583587736 804982 CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)F 1 3.07 2 2 -11.6037105678688 805012 C1CCC(CC1)N2C(=NN=N2)SC(=O)C3=CC=CS3 1 3.483 4 1 -20.7907701339826 805006 C1=CC=C(C=C1)CCNC(=O)CSC2=NC=NC3=C2NC=N3 1 1.807 5 1 0 -14.8290828736165 805003 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CC(C)C 1 4.125 1 3 -9.75827957405052 804991 C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NN3C=NNC3=S 1 3.564 4 1 -0.40534456536976 804958 CC1=C(C2=C(N1)C=CC(=C2)OC)C3=CSC(=N3)N 1 2.45 3 1 7.07476544847691 804956 CC1=C(C2=C(N1C)C=CC(=C2)OC)C3=CSC(=N3)N 1 2.655 3 1 7.38398858482007 804944 CC1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C(=O)N2N 1 2.323 3 2 -4.46703488569135 804934 CN1C(=NNC1=S)CSCC2=CC=CC=C2Cl 1 3.166 3 0 -8.15550223171859 804933 CC1=NN(C=C1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.233 3 2 -0.749482567031122 804932 CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 5.005 3 0 -3.76172890049207 804927 CCCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1N 1 3.251 3 1 -2.20586355372321 804926 CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=NC=C2 1 2.109 2 2 -1.72040527172623 804919 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCC(=O)O 1 1.739 2 3 0 -5.36918946844901 804909 CC(C)(C)C1=NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)O1 1 4.992 1 2 2.4540875891457 804906 CC1=CC=CC=C1NC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O 1 3.114 1 4 -11.5606327575033 804890 CCNC(=S)N1CCN(CC1)CCNC2=CC(=O)CC(C2)(C)C 1 2.167 4 1 -24.5912952399153 804889 CCOC(=O)C1=CC2=C(C3=CC=CC=C3C=C2)OC1=O 1 2.972 0 4 -6.22884060531053 804886 CC1=C(SC2=NC=NC(=C12)NCC3=CN=CC=C3)C 1 2.524 4 0 -3.26930409925364 804875 C1CCCCCC(=NNC(=O)CN2CCOCC2)CCCCC1 1 3.175 3 2 -10.785403388293 804867 CC1CCN(CC1)CCCN2C(=O)C3=CC=CC=C3NC2=S 1 3.512 3 1 -7.52090719200146 804858 CC(=NNC(=O)CN1CCCCC1)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.817 4 3 0 -8.81571433092406 804849 COC1=C(C=C(C=C1)CC(=O)C2=C(C=C(C=C2O)O)O)OC 1 2.51 0 6 -0.569311916095775 804847 CCC1=NC2=C(C(=C(S2)C)C)C(=O)N1CCO 1 1.58 2 2 0 -8.52443502442108 804844 CCOC1=NS(=O)(=O)C2=CC=CC=C21 1 1.616 1 3 0 -1.39768185330241 804838 CCOC(=O)C1=C(SC(=C1)C)NC(=S)NC2=CC=CC=C2 1 4.503 2 2 -8.3324363312367 804835 C1CC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=CC4=CC=CC=C43 1 3.866 1 3 -8.53095252312379 804827 CCOC1=C(C=C(C=C1)C=NNC(=O)CN2CCCCC2)OCC 1 2.607 3 3 -10.632760150464 804823 CCCC1=NC2=C(C3=C(S2)CCC3)C(=O)N1N 1 2.173 3 1 -14.9141870483576 804822 CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)O1 1 2.734 1 2 -4.37648672713416 804807 C1=CC(=CC=C1CSCC(=O)NN=CC2=CC=NC=C2)[N+](=O)[O-] 1 1.827 4 3 0 -11.770148055999 804801 COC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)SN=N3 1 2.771 3 2 -8.13236271076885 804795 CC1=C2C(=NN=C(C2=C(N1C3=CC4=C(C=C3)N=CC=C4)C)C)C 1 3.039 4 0 0.934788120868701 804792 C1=CC(=CN=C1)C=NNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-] 1 1.827 4 3 0 -11.5694814557992 804769 C1=CC(=C(C=C1NC(=O)C2=CC=NC=C2)[N+](=O)[O-])Cl 1 2.022 3 3 -6.74791885918514 804768 C1CCN(CC1)CC(=O)NN=CC2=C(C=C(C=C2)Cl)Cl 1 3.271 3 1 -1.09323861039848 804764 C1=CC=C(C=C1)N(C=O)C2=CC3=CC=CC=C3C=C2 1 3.562 1 1 1.47887903477746 804752 C1CCN(CC1)CC(=O)NN=CC2=CC(=CC=C2)Cl 1 2.606 3 1 -2.09399844554067 804748 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 0.913 3 4 0 -20.82932165087 804740 COC1=CC=C(C=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4 1 3.821 2 2 -0.826543260884241 804739 CC1=C(C(=C(N1C2=CC(=C(C=C2)OC)OC)C)C(=O)C)C(=O)C 1 2.444 1 4 -6.61117429296547 804738 CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)/C=C/[N+](=O)[O-] 1 4.379 2 2 7.99840151439977 804732 CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=CO3 1 2.234 2 4 -10.5889434078894 804731 CN1CCN(CC1)C(=S)C2=CC(=C(C=C2)OC)Br 1 3.356 2 1 -2.00995390008374 804716 CC1=CN(C=N1)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.34 2 3 0 -5.73825201649009 804712 CC(=O)NC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)NC3=O 1 1.337 2 4 0 -4.42964544972731 804705 CC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)F 1 3.169 2 2 2.59636759912816e-002 804704 CCCC1=CC(=O)N=C(N1)SCC(=O)OCC2=CC=CC=C2 1 3.238 2 3 -16.6293155452505 804703 CCC1=CC=C(C=C1)S(=O)(=O)N2C(=NC3=CC=CC=C32)C 1 3.906 2 2 -0.925351485253055 804700 C1CC2=C(C1)N=C3C=C(NN3C2=O)C4=CC=CC=C4 1 1.662 3 1 0 -3.93104317448957 804693 CC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N3C(=CC(=N3)C)C 1 3.454 2 2 -7.54556939583578 804692 CC1=CC(=NN1S(=O)(=O)C2=C(C(=CC=C2)Cl)Cl)C 1 3.388 2 2 -8.40470245665352 804682 CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=NC=C2 1 2.146 2 2 -3.05827273132115 804679 CCC(=O)C1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)OC)OC 1 3.116 0 6 -13.4915068868392 804669 CC1=C(C=CC(=C1)N2C(=C(C(=C2C)C(=O)C)C(=O)C)C)N 1 2.216 2 2 -0.676231355583599 804667 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCC3=CC=CC=N3 1 2.297 2 2 -3.89751335073052 804660 CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)O)C(=O)O 1 2.488 1 4 -6.48990354778738 804659 COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NC3=CC=CC=C3O 1 2.386 1 5 -5.86081162624059 804645 C1CC1C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 1.558 2 2 0 -3.93670079583273 804641 C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=CC=C3F 1 4.38 1 2 -6.84913076770907 804634 CC(=O)OC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)O)OC 1 2.123 1 5 -6.9507380411163 804632 C1CCC2=C(C1)C(=O)N3C(=N2)C(=CN3)C4=CC=CC=C4 1 1.848 3 1 0 -3.94940417777877 804630 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CC2=CC=CC=C2)OC 1 2.246 1 5 -12.9573494568823 804617 CC1=CC=C(C=C1)NC(=S)C2=CC=CC=C2 1 4.472 1 0 -0.400231526536807 804613 C1=CC=C(C=C1)C(=S)N(C2=CC=CC=C2)C3=CC=CC=C3 1 5.933 1 0 -2.40624254317069 804612 C1=CC(=CC(=C1)Cl)NCCC(=O)C2=CC=CO2 1 3.202 1 2 0.617200297612944 804611 CC(C)CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.909 3 4 0 -14.9601982327608 804607 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)F 1 3.229 2 2 -6.7184687235727 804602 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2CC2)OC 1 1.305 1 5 0 -9.82757972199338 804599 C1=CC=C2C(=C1)C(=CC(=O)O2)NCC3=CC=CO3 1 1.9 1 3 0 -3.68800977464249 804588 CC1=NC2=CC(=NN2C(=C1)N)C3=CC=C(C=C3)C(C)(C)C 1 3.525 4 0 1.04756329912416 804580 CC1=CC2=NC3=C(CCCC3)C(=O)N2N1 1 0.883 3 1 0 -8.81165680570995 804511 C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F 1 3.992 1 3 -9.70354447876023 804518 COC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)Br 1 3.966 0 2 -2.53806758573718 804520 CC1=NC2=C(C=C(C=C2)NC(=O)N3CCCCC3)N=C1C 1 2.098 4 1 -6.79471620987181 804521 CC1=C(C(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)C)C(=O)C 1 2.371 2 4 -4.79900657210401 804558 CSC1=NC2=CC=CC=C2N1CC3=C(C=CC=C3Cl)Cl 1 5.547 2 0 -2.3913813016153 804553 CC1=CC2=NC(=C(N2C=C1)C(=O)NN=CC3=CC4=C(C=C3)OCO4)C 1 2.389 4 3 0 -7.55935485035332 804546 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)/C=C/C2=CC=CC=C2)OC 1 2.679 1 5 -10.8088786995274 804539 CCOC1=CC=C(C=C1)C=NNC(=O)C2=C(N=C3N2C=CC(=C3)C)C 1 2.953 4 2 -6.92044092987891 804510 CC1=C(N=C(S1)NC(=O)C2=CN=CC=C2)C3=CC=CC=C3 1 2.553 3 1 -6.82239231681995 804484 CC1=C(C(=C(N1C2CCCCC2)C)C(=O)C)C(=O)C 1 2.758 1 2 -7.40985425222146 804479 CC1=C2C(=NN=C(C2=C(N1C3=CC=C(C=C3)Br)C)C)C 1 3.601 3 0 0.516636568020237 804471 CC1=CC(=C(C=C1)NC2=CC(=O)OC3=CC=CC=C32)C 1 3.961 1 2 -1.64704404056019 804466 COC1=CC=C(C=C1)NC2=CC(=O)OC3=CC=CC=C32 1 2.973 1 3 -0.802915794196828 804448 C1CC2=C(C1)N=C3C=C(NN3C2=O)C4=CC=C(C=C4)F 1 1.867 3 1 0 -2.74464973270912 804445 CC1=C(N=C2C=C(NN2C1=O)C3=CC=C(C=C3)F)C 1 1.715 3 1 0 -0.961853782683378 804442 C1=CC=C(C=C1)C(=O)CNC2=CC=C(C=C2)Br 1 3.643 1 1 -4.61296611693266 804437 CC1=NN(C(=O)C1)C2=NC(=CS2)C3=CC=C(C=C3)C#N 1 1.946 4 1 0 -3.34738303742351 804434 CCC(=O)C1=CC(=C(C=C1)OCC(=O)O)OC 1 1.685 0 5 0 -13.9395111645741 804433 CC1=NN(C(=O)C1)C2=NC(=CS2)C3=CC=C(C=C3)F 1 2.272 3 1 -9.76686228758006e-003 804430 CC1=C(CC(=O)N1C2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC 1 6.e-002 2 5 0 -14.0583449743625 804429 CN(CC(=O)NC1CC1)S(=O)(=O)C2=CC=C(C=C2)Br 1 1.244 2 3 0 -12.0387398417377 804425 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3 1 2.918 3 4 0 -8.71088850801103 804401 C1CC(=O)N(C1=O)C2=CC=C(C=C2)OC(=O)CC3=CC=CC=C3 1 2.457 1 4 -13.1229137148119 804374 C1CCCN(CC1)C(=O)NC2=CC3=NSN=C3C=C2 1 2.653 4 1 -2.6988082007272 804363 CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-] 1 3.661 2 3 12.5438514546169 804352 CC1(CN2C(N2C1)C3=CC=C(C=C3)Cl)C 1 2.631 2 0 0.693936380879028 804345 CC1=C(C(=C(N1C2=CC3=C(C=C2)N=CC=C3)C)C(=O)C)C(=O)C 1 2.663 2 2 -1.76012659063705 804341 CC1=CC(=O)OC2=C1C=CC(=C2)NC3=CC=CC=C3 1 3.896 1 2 -2.7752493701443 804339 CC(=O)OC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)OC 1 1.995 1 6 0 -10.3467278709971 804316 CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)[N+](=O)[O-])C)C 1 2.557 2 5 0 -4.31697428205592 804315 CCOC(=O)C1CCN(CC1)C=C2C(=O)N(C(=S)N(C2=O)C)C 1 0.874 3 4 0 -7.09564646342394 804311 CN1CCN(CC1)C(=S)C2=CC=C(C=C2)OC 1 2.608 2 1 -0.864815873308396 804306 CN(C1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=CC=C2 1 2.153 1 4 -8.7460314178601 804304 CC1=C(C(=CC=C1)C)NC(=O)CSCC(=O)O 1 1.885 1 3 0 -12.5198636145252 804298 C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.355 1 6 0 -8.44276733364009 804291 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)SN=N3 1 2.682 4 3 0 -10.1321216307575 804289 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 0.568 2 4 0 -20.5539818224985 804288 CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3CCCCCC3 1 3.724 2 2 -7.64863747709891 804278 CN(CC(=O)N1CCCC1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.338 2 3 0 -8.02995194352303 804274 C1CCC(C1)NC(=O)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl 1 2.99 2 2 -4.49333378231125 804255 CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=CC=C3)OC)OCCO2 1 2.123 1 5 -12.4459976746849 804241 C1=CC=C2C=C(C=CC2=C1)NC(=O)NC3=CC4=C(C=C3)SN=N4 1 3.604 4 1 -4.19633775196395 804234 C1=CC=C2C(=C1)NC(=N2)SCC3=CN4C=CC=CC4=N3 1 2.968 4 0 -3.45404696581358 804231 CC1=CC=CC2=NC(=CN12)COC3=CC=C(C=C3)C4=CC=CC=C4 1 4.153 2 1 2.04833184314847 804230 COC1=CC=CC(=C1OCC2=CC=CC=C2)C=NN3C=NN=C3 1 2.595 4 2 0.587762466196501 804228 C1=CC2=NC(=CN2C=C1)COC3=C4C(=C(C=C3)Cl)C=CC=N4 1 3.203 3 1 -4.41469673872899 804211 C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.069 2 4 -8.77053178165979 804205 C1CCN(CC1)C(=S)NC2=CC3=NSN=C3C=C2 1 4.093 4 0 -7.91596080905157 804203 CC1=NC=C(N1CC2=CC=CC3=CC=CC=C32)[N+](=O)[O-] 1 2.694 3 2 -7.19876505215576 804199 CCSC1=NC=NC2=C1SC3=NC4=C(COC(C4)(C)C)C=C23 1 3.622 3 1 -16.1252932858936 804176 C1CCCC(CCC1)NC(=O)CNC(=O)OCC2=CC=CC=C2 1 3.431 2 3 -11.6392849916867 804168 CC1=C(C(=NN1C)C)NS(=O)(=O)C2=CC=CC=C2 1 1.395 3 2 0 -2.87731720331785 804161 CC1=CC(=CC=C1)NC(=O)CSC2=NC(=C(C(=O)N2)NC(=O)C)O 1 0.841 4 4 0 -15.0549684428095 804150 CCC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)NC(=O)CC 1 3.067 2 2 -2.94113048252697 804149 CC1=NC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC)N=C1C 1 2.535 4 2 -4.05374848632704 804148 CCN(CC)CC1=CSC(=C1)C(=O)N 1 1.556 2 1 0 -0.50950540620078 804136 C1CC(=O)N(C1=O)C2=CC(=CC=C2)OC(=O)CC3=CC=CC=C3 1 2.457 1 4 -13.042634566715 804133 C1CN(CCC1C(=O)NC2=CC=CC=C2F)C(=O)CC3=CC=CC=C3 1 2.741 2 2 -6.8149901613736 804124 C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(N3)C(F)(F)F 1 3.182 3 2 -1.2152580907748 804120 CC1=C2C(=O)C=CC=C(C2=C(N1C)C)OC 1 1.618 1 2 0 -1.84137492507171 804119 CN(CC(=O)N1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.794 2 3 0 -8.38442045769111 804116 C1CCN(CC1)C(=O)NC2=CC3=NSN=C3C=C2 1 2.197 4 1 -2.6988082007272 804109 CC(C)(C)S(=O)(=O)C1=CC=CC=C1C(=O)OC 1 2.142 0 4 -8.67630017597726 804090 CC1(CC(=CC(N1C=O)(C)C)C2=CC=C(S2)C=O)C 1 2.756 1 2 -2.08469596570746 804080 CCOC(=O)C1=C(N=C(S1)NC(=O)COC(=O)C2=CC=CO2)C 1 1.492 2 6 0 -13.3939839218478 804077 CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3CC3)C)C(=O)N(C1=S)CC 1 2.953 3 2 -4.93945189893953 804075 C1CC1C2=CC=CC=C2NC(=O)C3=CC=CS3 1 3.39 1 1 -6.86263265857851 804072 CC(=O)NC1=CC=C(C=C1)NCC2=CC=CS2 1 2.082 2 1 -8.12621782374353 804064 C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)N 1 2.423 4 1 -9.16621529592496 804063 C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)O 1 3.05 3 2 -9.50424851339369 804061 COC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)OC(=O)S3 1 3.961 0 5 -5.12031165420186 804048 C1COCCN1C2=CC(=O)OC3=CC=CC=C32 1 1.358 1 3 0 -3.49464899719672 804043 CCOC1=CC=C(C=C1)NC(=S)NC2=CC3=NSN=C3C=C2 1 4.827 4 1 -1.89158717863757 804041 COC1=CC=C(C=C1)C=NN2C=NN=C2SCC3=CC=CC=C3 1 3.695 4 1 -7.055464728617 804039 CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)OC 1 3.896 0 4 -4.03061956403143 804023 C1CCC(CC1)NC(=S)NC2=CC3=NSN=C3C=C2 1 4.498 4 0 -4.71654687692504 804001 CC1=C(C=C(C=C1)N2C(=C3C(=NN=C(C3=C2C)C)C)C)C 1 3.825 3 0 0.854682054824875 803968 C1=CC(=CC=C1C=O)N2C(=CN=N2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.052 4 3 0 -5.03288309202425 803966 CC(C)C(=O)NC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)O 1 0.841 2 5 0 -20.5963485738933 803954 CC1=CC(=CC(=C1)N2C(=C3C(=O)C=CC=C(C3=C2C)OC)C)C 1 4.167 1 2 -0.86265014755943 803952 CN(CC(=O)NC1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.529 2 3 -10.4229424306372 803945 C1CSC(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.337 2 2 -10.6043433641255 803940 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)C#N)C=C1 1 0.804 6 1 0 -18.5574922038182 803937 C1CCC(CC1)CCC(=O)NC2=NC=NN2 1 2.08 4 1 -11.6626361391395 803928 C1=CC=C(C(=C1)COC2=CC=C(C=C2)NC(=O)C3=CN=CC=C3)Cl 1 3.695 2 2 -6.13683427571601 803901 CCOC1=CC=C(C=C1)OCCN2C=CN=C2 1 1.887 2 2 0 1.2868171821925 803898 COC1=CC=CC=C1CC(=O)NC2=CC=CC3=C2CCCC3 1 4.146 1 2 -9.48655347149627 803869 COC1=C(C=CC2=CC=CC=C21)C(=O)N3CCCC3 1 2.596 1 2 -3.25014354607723 803865 CC1=NC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)Br)C 1 3.355 2 2 -2.69637972865303 803853 COC1=C(C=C(C=C1)NC(=O)CC2=CC=CC=C2OC)OC 1 2.6 1 4 -12.1052504383385 803852 CC1=CC(=CC(=C1)N2CCOCC2)CN3C(=O)C4=CC=CC=C4C3=O 1 2.782 2 3 -1.39991792569372 803851 COC1=CC=CC=C1CC(=O)NC2=CC=CC3=CC=CC=C32 1 3.541 1 2 -8.45450049700496 803848 CC1=CC(=CC(=C1Br)C)OCC(=O)NCC2=CC=CC=N2 1 3.242 2 2 -10.2404764401836 803830 CC1=C(C=C(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C#N)C(=O)C 1 3.139 3 3 -13.9775159450993 803826 CC1=NC(=C(C=C1)C#N)SCC2=CC=CC=C2[N+](=O)[O-] 1 3.399 3 2 -12.0456818408379 803824 CC1=CC(=NC(=C1C#N)SCC2=CC=CC=C2[N+](=O)[O-])C 1 3.885 3 2 -13.1507275563286 803815 CN1C(=NN=C1SCC(=O)NC2CCCCC2)CC3=CC=CC=C3 1 3.361 4 1 -17.9167752057273 803812 CC1=CC(=C(C=C1)OCCN2N=C3C=CC=CC3=N2)C 1 4.2 3 1 0.831820468533043 803810 CCNC1=NC(=C(S1)C(=C(C#N)C#N)C2=CC=CC=C2)N 1 2.26 5 0 -7.01421624468895 803809 CCOC1=CC(=CC=C1)OCCN2C=NC3=CC=CC=C3C2=O 1 2.921 2 3 -3.16601789133552 803807 CC1=NC2=C(C=C1)C3=C(S2)C(=C(C(=N3)N)C#N)C4=CC=CC=C4 1 3.69 4 0 -3.61577757446269 803804 CC1=CC(=NC2=C1C3=C(S2)C(=C(C(=N3)N)C#N)C4=CC=CC=C4)C 1 4.176 4 0 -2.74664201826105 803801 CC1=CC(=C(C=C1Cl)OC)NC(=O)CC2=CC=CS2 1 3.737 1 2 -10.1063818778209 803800 CSC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2 1 3.141 1 2 -4.85205988809063 803793 C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CCC(=O)O 1 3.868 1 2 -4.10017669608872 803777 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NNC3=CC=CC=N3 1 3.554 3 1 -8.06205526763024 803770 CC(C)(C(=O)NN(CC1=CC=CC=C1)C2=CC=CC=C2)O 1 2.885 2 2 -5.36442752280985 803768 C1=CC(=C(C=C1Cl)Br)OCCN2C=CN=C2 1 2.968 2 1 6.05485112134687 803748 CC1=CC(=C(C=C1)OCCN2C=CN=C2)[N+](=O)[O-] 1 1.935 3 3 0 0.556947612886648 803742 CC1=C(C(=CC=C1)C(C)(C)C)OCCN2CCCC2 1 4.299 1 1 3.62920367399623 803741 COC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.97 3 2 -4.03387733366508 803731 C1=CC=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3O2 1 3.144 3 2 -7.79650661594721 803729 C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC(=C(C=C3Cl)F)F 1 4.598 1 1 -7.53426464289892e-002 803711 CC1=CC(=C(C(=C1C)C(=O)C2=CC=CC=C2C(=O)O)C)C 1 4.808 0 3 -3.94376644827237 803675 C1=CC(=CC(=C1)N(CCO)CCO)C(=O)O 1 0.543 1 4 0 -5.29157539757608 803663 COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 3.229 1 4 -10.1932236119045 803653 COC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F 1 3.009 1 2 -4.74489802110065 803650 C1CCC(CC1)CCC(=O)NCC2=CC=C(C=C2)F 1 3.99 1 1 -12.9506877415427 803614 CCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)OC 1 2.382 2 4 -11.1223987209053 803585 COC1=C(C=C(C=C1)C(=O)NCC2=CC=NC=C2)OC 1 1.438 2 3 0 -12.4252722360123 803582 COC1=CC=CC(=C1)C(=O)NCC2=CC=CO2 1 1.787 1 3 0 -10.1419764961023 803577 CC1=C(SC(=N1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C 1 1.693 2 4 0 -10.4209884863697 803571 C1CCC(CC1)CCC(=O)NC2=CN=CC=C2 1 2.627 2 1 -9.07673259190354 803568 C1=CC=C(C(=C1)NC(=O)C2=NC=CN=C2)F 1 0.947 3 1 0 -8.55215793562068 803565 CC1=C(C=CC=C1NC(=S)NC(=O)CC2=CC=CC=C2)C(=O)O 1 3.916 2 3 -9.24884112653187 803562 COC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=C(C=C3)Cl 1 3.793 2 2 8.72939349932538 803555 C1CCC(CC1)CCC(=O)NCC2=CC=CC=N2 1 2.849 2 1 -15.8673183604557 803549 CC(C)(C)CC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2 1 4.081 2 1 -5.41481311626051 803546 C1CCN(C1)CCOC2=CC=CC=C2C3=CC=CC=C3 1 3.931 1 1 5.22864312638267 803539 CC1=CN2C(=NC(=C(C2=O)C=O)SCC3=CC=CC=C3)C=C1 1 2.626 2 2 -12.4874326207973 803518 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)N 1 1.385 2 4 0 -9.60815129338391 803516 CN(CCOC1=CC=C(C=C1)OC)CC2=CC=CC=C2 1 3.519 1 2 3.11982642051693 803513 C1N=C(NC(=S)N1C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.845 3 0 -3.01096668247489 803500 CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Br)C 1 4.17 1 2 -3.10841281141165 803498 CCSC1=NN=C(S1)NC(=O)C2=CC=CC=C2C 1 3.007 3 1 -17.3335802937622 803493 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)NC3=CC=CC4=CC=CC=C43 1 3.895 3 1 -1.1714316652525 803484 CC1=CC=C(C=C1)C(=O)NCCN2CCOCC2 1 1.35 2 2 0 -9.19742569047754 803459 CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C3=CC=CS3)C(=O)OC 1 3.519 0 5 -12.3060536620097 803458 C1=CC(=C(C=C1Br)Cl)OCCN2C=CN=C2 1 2.968 2 1 4.48238862401335 803451 CC1=C(C=CC(=C1)OCCN2CCCC2)C(C)C 1 4.093 1 1 2.4580846525326 803448 CCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=C(C=C3)C 1 2.792 4 1 -14.242368642312 803446 CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OC 1 3.889 0 5 2.13634998719288 803438 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)Br 1 3.071 1 2 -8.06026984514914 803424 C1=CC=NC(=C1)C=NNC(=O)C2=CC=C(O2)Br 1 1.924 3 2 0 -4.61400972797635 803418 CC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.204 2 3 -8.39848707452241 803407 CN(C)C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2 1 3.431 1 2 -6.18860615004487 803400 C1CCC(CC1)CCC(=O)NCC2=CC=NC=C2 1 2.634 2 1 -14.1865692177839 803394 CCOC1=CC=CC=C1OCCN2C3=CC=CC=C3N=N2 1 3.605 3 2 -9.68753412965404 803386 CC1=C(C=CC(=C1)C(=O)NCCN2CCOCC2)[N+](=O)[O-] 1 1.245 3 4 0 -13.6648047852784 803385 CC1=CC=C(S1)/C=C\2/C(=O)SC(=N2)SC 1 3.507 1 1 -5.44142747682002 803379 C1=CC=C2C=C(C=CC2=C1)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O 1 4.304 2 3 -7.10881254797437 803376 CCC1=CC(=CC=C1)OCCN2CCCC2 1 3.355 1 1 3.65936435428229 803371 COC1=CC=CC=C1C(=O)NCC2=CC=CO2 1 1.787 1 3 0 -11.4716827431754 803360 C1=COC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O 1 3.455 2 4 -10.7808889103083 803348 CC1=CC(=CC(=C1Br)C)OCC(=O)NCC(C)C 1 3.786 1 2 -8.84940914997947 803346 CC1=C(C=C(C=C1)NC(=O)C2=NC=CN=C2)C 1 1.714 3 1 0 -7.63553139802456 803345 CC1=C(C=CC(=C1)Br)OCC(=O)NC2CCCC2 1 3.51 1 2 -5.57701591592268 803341 CC1=C(C=CC(=C1)OCCN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-] 1 2.969 3 4 0 -6.16031479804119 803330 CC(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)Br 1 3.772 1 2 -4.16853728001935 803320 CC1=CC(=CC(=C1Br)C)OCC(=O)NC2=CC=NC=C2 1 3.02 2 2 -4.50869011016564 803313 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)NNC3=O 1 2.226 3 3 -5.71287197838002 803312 CC1=CC(=C(C=C1)C)NC(=O)C2=NC=CN=C2 1 1.714 3 1 0 -9.07594847230208 803237 CC1=CC(=CC(=C1Br)C)OCC(=O)N(C(C)C)C(C)C 1 4.252 1 2 -5.6192266244234 803256 C1=CC2=C(C(=C1)NC(=S)NC(=O)C3=CC=CS3)N=CC=C2 1 3.905 3 1 -10.2981579635393 803273 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)OC 1 2.338 1 3 -7.42843442599796 803234 CC1=CC(=CC=C1)OCC2=NN=C(S2)N 1 1.803 3 1 0 0.94353646747949 803231 C1=CC(=C(C=C1C2=NN=C(S2)N)[N+](=O)[O-])Cl 1 2.041 4 2 -2.10206871678032 803209 CCNC(=O)COC1=CC(=C(C(=C1)C)Br)C 1 2.943 1 2 -6.71201881372399 803201 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3=CC=CC=C3 1 2.964 4 1 -18.4329092011951 803199 CC1=CC(=CC(=C1)OCCN2C=NC3=CC=CC=C3C2=O)C(C)C 1 4.269 2 2 -0.785044832144566 803189 CCOC(=O)/C(=C/C1=CC(=CC=C1)F)/C#N 1 2.546 1 2 -5.41502822388644 803187 C1CCN(CC1)C(=O)CSC2=NC3=C(O2)C=CC(=C3)C(=O)O 1 2.251 2 4 -9.53354013787176 803184 CC(C)(C)CC(=O)NCC1=CC=C(C=C1)F 1 2.743 1 1 -9.38261519757528 803179 CCOC1=CC=C(C=C1)C(=O)NC2=NCCS2 1 2.435 2 2 -12.5317279259581 803170 CC1=CC(=NO1)NC(=O)C2=CC3=CC=CC=C3OC2=O 1 1.783 2 4 0 -19.2601712051658 803160 CC1=CC(=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C2=O)C 1 3.467 1 3 -9.09547718267978e-002 803159 CCOC1=CC=C(C=C1)C(=O)NC2=NC=CC(=C2)C 1 2.821 2 2 -4.09291332556106 803154 COC1=CC=CC=C1CC(=O)NC2=CC(=CC(=C2)OC)OC 1 2.6 1 4 -10.4274863015649 803153 CCOC1=CC=C(C=C1)C(=O)NC2=CC=NC=C2 1 1.796 2 2 0 -5.64111909760154 803135 CC1=C(C=CC(=C1)C(C)(C)C)OCCN2CCCC2 1 4.299 1 1 7.56886672998835 803133 CC1CCN(CC1)CCOC2=CC(=C(C=C2)Cl)Cl 1 4.45 1 1 1.21010421446129 803124 C1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C=N2 1 2.691 2 2 -1.25697846645285 803122 CC1=C(C=CC(=C1)OCCN2C=CN=C2)C(C)C 1 3.235 2 1 1.42664252055227 803118 CC1=NN=C(N1C)SCC(=O)N2CCOCC2 1 -0.303 4 2 0 -16.3114407721639 803111 CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)Br)C 1 4.17 1 2 -5.82034395297312 803100 CC1=CC(=C(C=C1)C(C)(C)C)OCCN2CCCC2 1 4.299 1 1 5.04989755002324 803099 CC(=O)NC1=CC=CC=C1NC(=O)CC(C)(C)C 1 1.651 2 2 0 -10.7869736283055 803097 COC1=CC=CC=C1CC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.151 1 2 -2.80563177648301 803078 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CC2=CC=CS2)OC 1 2.425 1 5 -16.2795272212986 803077 C1=CSC(=C1)CC(=O)NCC2=CC=C(C=C2)F 1 2.815 1 1 -10.69645513742 803062 CCN(CC)C1=NC(=NC(=N1)NN)NC2=CC(=C(C=C2)C)Cl 1 2.45 7 0 0 -0.162381100312903 803048 COC1=CC=C(C=C1)C2=NOC(=N2)CC3=CC=CS3 1 3.117 2 2 2.14980739572872 803041 CC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=CC=C3 1 4.164 3 0 -2.45595931166515 803039 C1COCCN1CCOC2=CC(=C(C=C2)Cl)Cl 1 2.968 1 2 1.41908726734303 803035 CC1=CC(=C(C=C1)F)NC(=O)CCC2=CC=CC=C2 1 3.797 1 1 -6.88017392754737 803034 CC1=C(C=C(C=C1)C(C)C)OCCN2CCCC2 1 4.093 1 1 4.72233698723315 803031 CC1=C(C=CC(=C1)Br)OCC(=O)N2CCCCCC2 1 3.687 1 2 -4.81871669557578 803021 COC1=CC(=C(C=C1NC(=O)CC2=CC=CS2)Cl)OC 1 3.234 1 3 -11.2957731974375 803004 C1=CC=C2C(=C1)N=CN2CCOC3=CC=C(C=C3)Cl 1 3.848 2 1 -1.17231096796997 803002 COC1=CC=C(C=C1)C2=NOC(=N2)CC3=CC=CC=C3OC 1 3.147 2 3 1.89444621302417 802956 CC1=CC(=C(C=C1C)S(=O)(=O)NCC2=CC=CC=N2)C 1 2.847 2 2 -3.91539288083946 802947 C1=CC2=C3C(=C1)NC(=NC3=CC=C2)C4=CC=C(O4)Br 1 3.493 2 1 -5.98810117459437 802937 C1=CC=C(C=C1)C(=O)C=NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.79 2 2 -0.480674980923274 802935 CC1=CC(=C(C=C1S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C)OC 1 3.048 1 5 -1.23117734191458 802933 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)F 1 3.192 2 2 -2.28721020936319 802929 CCOC1=C(C=C(C=C1)C(=O)NC2=NC(=CC(=N2)C)C)[N+](=O)[O-] 1 2.148 4 4 0 -11.8011741301328 802924 CC1=CC(=C(C=C1)NC(=S)C2=CC=NC=C2)C 1 3.808 2 0 -2.54354326978338 802923 CC(C)C1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1 1 2.284 2 2 -19.8193909827527 802921 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=NC=CC=N2)Br 1 2.784 4 1 -8.36937764470206 802919 C1COCCN1C(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 -1.028 3 5 0 -19.7737288461993 802913 CCOC1=CC(=C(C=C1)C2=CC=C(O2)C=O)[N+](=O)[O-] 1 3.021 1 5 -0.369881033134412 802867 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C#N)[N+](=O)[O-] 1 2.72 3 4 0 -11.0843672048182 802905 C1=CC=C(C=C1)COC(=O)/C=C/C2=CC=C(O2)Br 1 3.699 0 3 -4.18871391667063 802901 C1=CC2=C(C=C1CC3=CC4=C(C=C3)NC(=S)N4)NC(=S)N2 1 5.218 4 0 -7.70657058191057 802898 CC1=CC=C(C=C1)NC(=S)C2=CC=NC=C2 1 3.321 2 0 -0.419301795677173 802888 CC1=CC(=C(C=C1)C)NC(=S)C2=CC=CC=N2 1 4.236 2 0 -3.82851620774146 802883 C1=CC=C(C=C1)CCNC(=S)NC(=O)C2=CC=CO2 1 3.211 2 2 -10.0741610998408 802882 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)OC 1 3.298 1 4 -2.07814946820982 802875 C1=CC(=CC(=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)C=O 1 4.35 0 3 -2.45868369812418 802859 CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 2.465 1 2 -1.09151599178597 802857 CC1=NCCN1S(=O)(=O)C2=C(C=CC(=C2)Br)OC 1 1.542 2 3 0 -9.49215593733587 802849 CC(=O)NC1=NN(C(=N1)NC(=O)/C=C/C2=CC=CC=C2)C3=CC=CC=C3 1 2.808 5 2 0 -5.13544346141275 802846 CC1=CC(=NN1CC(=O)N2C(=C(C3=CC=CC=C32)C)C)C 1 3.339 3 1 -6.83509996432969 802840 COC1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.702 1 3 -11.2187750572796 802836 C1CN(C(=N1)C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 1.655 3 3 0 -5.59204936119213 802835 CCOC(=O)C1=C(N=C(S1)NC2=NC(=CC(=N2)OC)OC)C 1 2.305 4 4 0 -12.314895637799 802824 CC(=O)NC1=NN=C(S1)SCC(=O)NC(C)(C)C 1 0.498 4 2 0 -24.1322027773304 802818 C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)CCC(=O)O)N 1 0.654 5 3 0 -6.98953636890992 802817 C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=CC=CC=C3C(=O)O 1 4.304 2 3 -7.67814859181577 802814 COC1=C(C=CC(=C1)SC)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.925 1 4 -6.64882135122958 802809 C1=CC2=C3C(=C1)NC(=NC3=CC=C2)C4=CC=C(C=C4)F 1 3.735 2 0 -3.51895103385115 802802 C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)N)Cl 1 3.188 3 0 9.83813020888859 802795 CC1=CC(=C(C=C1S(=O)(=O)N2C3=CC=CC=C3N=N2)C)OC 1 3.748 3 3 -3.71999381847674 802794 C=CCN1C(=S)NN=C1OCC2=CC=CC=C2 1 3.281 3 1 -8.85434105694886 802789 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.042 1 2 -2.60980296867593 802777 CC1=CC(=NC(=N1)SCSC2=NC(=CC(=N2)C)C)C 1 3.159 4 0 -4.02783140587117 802770 CC(C)N1C2=C(N=C1SC/C=C(/C)\Cl)N(C(=O)NC2=O)C 1 2.689 4 2 -8.28171035559036 802767 C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)Cl 1 4.885 1 1 -2.88303932527881 802752 CC1=C(C2=CC=CC=C2N1CCOC3=CC=CC=C3F)C#N 1 4.191 2 1 -3.62485986938584 802746 CC1=C(SC(=N1)NC2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3 1 3.763 3 1 -3.49801631325185 802736 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2 1 3.204 1 3 -6.95803825203498 802698 CC1=C(C=C(O1)C(C)(C)C)C(=O)NC2=CC=CC(=C2)/C=C/C(=O)O 1 3.653 1 4 -1.85528362773358 802683 CC1=C(SC=C1)C=NNC2=C3C=CC=CC3=NC2=O 1 2.367 3 1 -3.60264046400798 802673 CC1=CC=CC2=C1NC3=C2SC(CC3=O)(C)C 1 3.699 1 1 -1.86228510869307 802672 CC1=CC(=C(C=C1)CN2C=NC3=C(C2=O)C4=C(S3)CCC4)C 1 4.225 2 1 -12.5836207676819 802671 CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C(C)(C)C 1 2.84 3 3 -18.4499329555337 802662 CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)F 1 3.853 2 1 -11.8848888031752 802658 CC1=CC=CC=C1OCC2=NNC(=S)N2CC3=CC=CC=C3 1 4.007 3 1 -3.50045280380751 802655 CC1=CN2C(=NC=C(C2=O)NC(=O)C3=CC=C(C=C3)F)C=C1 1 0.902 3 2 0 -11.7536744159917 802651 C1=CC=C2C=C(C=CC2=C1)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O 1 4.304 2 3 -7.46883020263983 802635 C1CCC(CC1)N2C(=NN=N2)SCC(=O)N3CCOCC3 1 1.035 5 2 0 -30.4663912531724 802628 C1=CC=C(C=C1)/C=C/C(=O)NC2=NN(C(=N2)N)C3=CC=CC=C3 1 2.941 5 1 -1.26708581060157 802617 COC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.004 1 5 -2.04422976127081 802615 C1CCC(C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.029 2 3 -17.3150820567815 802613 C1=CC(=CC=C1CSCC(=O)O)C#N 1 1.739 1 2 0 -11.2029621620698 802608 CC1=C(C(=CC=C1)NC(=O)C2=C(C=CC(=C2)Br)OC)C 1 4.319 1 2 -2.45647689377432 802604 CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)C 1 2.823 1 5 -11.9003738811337 802603 CC1=NON=C1NC(=O)C2=CC=CC=C2Br 1 1.989 3 2 0 -8.18924865670485 802602 COC1=CC=CC=C1N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2 1 2.214 1 5 -16.0573453554238 802598 COC1=CC(=C(C=C1Cl)S(=O)(=O)N2CCOCC2)Cl 1 1.947 1 4 0 -14.4984999791004 802594 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=C(O4)Br 1 3.926 2 1 0.306941329404732 802592 C1CCCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 4.354 2 0 5.48283157659334 802584 CC1=CC(=NC(=N1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C 1 1.336 4 4 0 -6.02099907159582 802575 C1=CN(C(=C1)C=NN2C=NN=C2)C3=CC=C(C=C3)O 1 1.97 5 1 0 4.85574798556335 802571 CSC1=NC2=CC=CC=C2C(=O)N1N 1 1.538 3 1 0 -9.35517974162116 802559 CC1=C(C(=CC(=C1C)Br)C(=O)N2CCCCCC2)C 1 4.824 1 1 -4.19438111834294 802558 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)O 1 3.882 2 3 -12.5105158958217 802543 CNC1=NC(=NC(=N1)NC2=CC=CC=C2)NN 1 0.396 7 0 0 -0.99829685127363 802540 CC1(CC(=CC(=O)C1)NC2=CC(=C(C=C2)O)C(=O)O)C 1 2.091 1 4 -12.2592851909348 802533 C1CN(CCC1C(=O)N2CCOCC2)S(=O)(=O)C3=CC=CC=C3 1 0.52 2 4 0 -19.7160174272895 802528 CC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C(=N2)N)C3=CC=CC=C3 1 2.662 5 2 0 -0.88101154781673 802519 CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)C 1 1.499 4 3 0 -5.73995375022424 802513 CC1CCC2(CC1)NC(=S)N(N2)C3=CC=CC=C3 1 3.951 3 0 1.73917223167211 802512 CCOC1=C(C=C(C=C1)C=NN2C(=NN=N2)N)OCC 1 1.245 6 2 0 -9.9465122064292 802511 CCOC1=CC=CC=C1C=NN2C(=NN=N2)N 1 0.913 6 1 0 -4.50369007460812 802509 COC1=CC(=C(C=C1Cl)S(=O)(=O)NCC2=CN=CC=C2)Cl 1 2.486 2 3 -5.74448153769889 802504 CC(C)C(=O)NC(=S)NC1=CC=CC=N1 1 2.619 3 1 -9.10902447301894 802502 C1=CC=C(C=C1)NC2=NC3=CC=CC4=C3C2=CC=C4 1 3.53 2 0 5.40365516941328 802492 C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 2.5 2 2 -3.50741721759217 802489 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=O)C3=CC=CO3 1 1.308 3 3 0 -10.8415363064791 802480 COC1=CC=C(C=C1)NC(=S)C2=CC=NC=C2 1 2.819 2 1 -0.832268004821312 802478 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC(=CC=C3)Br 1 3.958 1 2 2.3991490510662 802474 C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)F 1 3.992 1 3 -9.67242979443962 802463 CC1=CC2=NC(=C(C=C2C=C1)C=O)N(C)C 1 2.963 2 1 0.547650213166552 802449 C1=CC=C(C=C1)CC(=O)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.503 3 5 0 -11.3961739795774 802441 CC1(CC2=C(CO1)C=C3C(=C(SC3=N2)C(=O)OC)N)C 1 1.743 2 3 0 -16.7625428442669 802440 CCOC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2 1 2.388 1 3 -8.13872998430751 802435 CC1=C(N(C2=CC=CC=C12)C(=O)CN3CCN(CC3)C4=CC=CC=C4)C 1 4.38 3 1 2.83247094407056 802422 CC1=C(C(=C(C=C1)S(=O)(=O)N2C=NC3=C2C=CC(=C3)[N+](=O)[O-])C)C 1 4.055 3 4 0 -4.9835934298063 802415 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC3 1 1.994 2 3 0 -19.9786140251908 802403 CCSC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=N2)C)[N+](=O)[O-] 1 3.07 3 3 -9.39133580943587 802386 C1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 1.614 2 3 0 -10.5742223168538 802377 CC1=C(C(=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=N2)C)C 1 4.25 3 2 -6.31943399894724 802376 COC1=CC=CC=C1C(=O)N2CCN=C2C3=CC=CC=C3 1 2.755 2 2 -4.50315576051301 802375 C1=CC=C(C=C1)N2C(=NC(=N2)N3C=NN=C3)N 1 0.835 7 0 0 4.45665271233097 802372 CC1=CC(=NN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C 1 1.953 3 4 0 -13.1679525705131 802370 C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C(Cl)(Cl)Cl)N 1 2.487 5 1 -1.44713926485742 802354 C1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C(=O)O 1 2.644 1 3 -11.0220742131713 802333 C1C2(CN3CN1CN(C2)C3)NC(=S)NC4=CC=C(C=C4)F 1 2.421 5 0 -6.93188586686929 802330 CC(C)(C)C(=O)NC(=S)NCC1=CC=CC=C1 1 3.377 2 1 -14.2122225302031 802319 CC(C)C(=O)NC(=S)NC1=CC=CC=C1C(F)(F)F 1 4.173 2 1 -10.1427126634105 802315 CC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C(=C(C=C2)OC)OC)OC 1 2.305 1 5 -7.78783003478482 802312 COC1=C(C=C(C=C1)C2(CCOCC2)C(=O)N3CCCC3)OC 1 1.813 1 4 0 -11.9208271973234 802308 CC1=C(C(=O)N(C(=O)N1C)C)C(=O)C2=CC=CC=C2 1 1.278 2 3 0 -11.3447127819865 802300 CCN1C2=CC=CC3=C2C(=CC=C3)N(C1=O)CC 1 2.71 2 1 -1.59181917591064 802296 CC1=CC(=C(C=C1C)S(=O)(=O)N2CCOCC2)C 1 2.093 1 3 -10.8854489128916 802295 C1CC2=C(C1)SC(=C2C#N)NC(=O)C3=CN=CC=C3 1 2.056 3 1 -19.7719854745226 802293 C1COCCN1C2=CC=C(O2)/C=C(\C#N)/C3=CC=CC=C3 1 3.024 2 2 -4.48571720008651 802290 CC1=CC(=C(C=C1S(=O)(=O)N2CCCCCC2)Br)C 1 4.041 1 2 -9.33697939592104 802282 CC(C)(C)C(=O)NC(=S)NC1=CC=CC=C1F 1 3.853 2 1 -12.8471771361851 802276 CN(C)C1=CC=C(O1)C=O 1 1.271 1 2 0 -2.66540326276661 802271 C1CCCC(CC1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.236 2 3 -9.67362792726564 802244 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3CCCCCC3 1 3.724 2 2 -9.36737507590654 802241 CC1=CC=CC=C1OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.98 1 3 -1.28403016952472 802234 CC1=CC(=NC(=N1)NC(=O)C2=CC3=CC=CC=C3O2)C 1 2.517 3 2 -1.98686828971637 802230 CC(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 3.286 1 4 -3.17968275034566 802226 CC1=C(C(=C(C=C1)S(=O)(=O)N2C(=CC(=N2)C)C)C)C 1 3.517 2 2 -8.23375487686226 802197 C1CCC(CC1)SCC2=CC=C(C=C2)C(=O)O 1 3.866 0 2 -4.67115680208392 802190 CC1=C(C2=CC=CC=C2N1CC(=O)N3CCC4=CC=CC=C4C3)C=O 1 3.158 2 2 -10.0911893983637 802189 CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)CC2=CC=CC=C2 1 3.916 2 3 -11.261190288686 802166 CC1=CC(=C(C=C1S(=O)(=O)NCC2=CN=CC=C2)C)OC 1 2.13 2 3 -1.91897490087713 802159 CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3)C4CCCCC4 1 3.944 3 2 -9.56513398880058 802156 CC1=C(C(=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2)C)C 1 2.847 2 2 -4.77676054965487 802154 CC1=NN(C2=C1C=C(S2)C(=O)O)C3=CC=CC=C3 1 3 2 2 -5.25342722390645 802148 C1CSC(=N1)NC(=O)C2=CC=CC=C2 1 2.102 2 1 -12.1481861326152 802147 C1=CC=C(C=C1)N2C(=NC(=N2)NS(=O)(=O)C3=CC=CC=C3)N 1 2.176 5 2 0 -2.07005264910113 802145 CCCC(=O)NC(=S)NC1=NC(=CS1)C2=CC=C(C=C2)OC 1 3.68 3 2 -7.15684929104489 802139 CC(C)C1=CC=C(C=C1)C(=O)NC2=NCCS2 1 3.296 2 1 -11.0690788684543 802126 CC(C)OC1=CC=C(C=C1)C(=O)NC2=NCCS2 1 2.812 2 2 -12.9666968542487 802125 C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=CN=CC=C2 1 3.364 3 1 -8.54800261045234 802124 CC1=CC(=C(C=C1S(=O)(=O)N2C(=NC=C2[N+](=O)[O-])C)C)OC 1 2.31 3 5 0 -2.97843804705517 802114 CN(C)C/C=C/C(C1=CC=CC=C1)(C2=CC=CC=C2)O 1 3.3 1 1 2.21831195565977 802111 CC1=CC(=C(C=C1)N2N=C3C=CC(=CC3=N2)N)C 1 3.398 4 0 1.76125002684968 802103 CC1=CC(=O)N(N1C2=CC=CC=C2)C3=CC=CC=C3 1 3.309 2 1 -3.21917442795538 802099 CC1=CC=CC=C1C(=O)NC(=S)NC2=NC=CC=N2 1 2.522 4 1 -11.6775868465334 802097 CC1=CC(=C(C=C1C)S(=O)(=O)N2C(=CC(=N2)C)C)C 1 3.517 2 2 -7.44468689068395 802092 COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2CC=C 1 2.669 3 3 -11.4239926610267 802085 CN(C)S(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2 1 2.507 1 3 -2.51614910120301 802081 CC1=CC(=NC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 3.046 4 4 0 -11.8979714195189 802075 CCCN(CCC)C1=NC2=CC=CC=C2N3C1=NN=C3C 1 3.022 5 0 -7.27374794075089 802068 CC1=C(C(=C(C=C1)S(=O)(=O)NC2=CN=CC=C2)C)C 1 2.625 2 2 -2.48547217665015 802066 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CN=CC=C2)Cl 1 3.263 3 2 -10.0721178404851 802063 COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)Cl 1 2.992 3 2 -12.7989048965316 802047 C1=CC=C2C(=C1)N=NN2CC(=O)OCC(=O)C3=CC=C(C=C3)Cl 1 3.268 3 3 -12.7321306957156 802045 CC1=NN=C2N1C3=CC=CC=C3N=C2NC4CCCCC4 1 2.929 5 0 -6.81199938809478 802044 C1=CC=C(C=C1)C(=O)COC(=O)CN2C3=CC=CC=C3N=N2 1 2.603 3 3 -15.5181899508242 802043 CC1=C(C2=CC=CC=C2N1CC(=O)N3CCC4=CC=CC=C4C3)C#N 1 3.277 3 1 -12.4050871718235 802038 CCC1=NC(=CN1S(=O)(=O)C2=CC(=C(C=C2C)OC)C)C 1 3.24 2 3 -2.35660141051458 802013 C=CC[C@H]1CC2=C(C=CC=C2[N+](=O)[O-])[C@@H](N1)CC=C 1 3.27 2 2 -7.74914913871098 802011 CC(C)(C)C(=O)NC(=S)NC1=CC=CC=C1C(=O)N 1 2.65 3 2 -14.9489090283587 801995 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)C 1 3.992 2 2 -13.2661195721801 801993 CN1C(=NNC1=S)C2=CC=CC3=CC=CC=C32 1 3.01 3 0 -0.623376037664095 801987 CC1=CN(C=N1)S(=O)(=O)C2=C(C=C(C(=C2)Cl)OC)Cl 1 2.669 2 3 -7.11279721899302 801986 C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)O 1 3.714 3 2 -9.19197618487533 801962 CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2C 1 4.039 3 2 -13.64609930445 801958 CC1=CC=CC=C1C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OC)C 1 3.206 3 3 -15.4158666067724 801956 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC 1 4.107 2 3 -16.1067418486445 801955 C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C43 1 4.361 0 3 -6.29064895811367 801952 CC1=CC=CC=C1C(=O)NC(=S)NCC2=CN=CC=C2 1 2.83 3 1 -14.0186868462513 801951 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC3)C 1 1.503 4 3 0 -9.99739051966245 801933 CC1=C(C(=O)N=C(N1)SCC(=C)C)CC=C 1 2.999 2 1 -16.8331071822542 801923 C1CN2C(=NC3=CC=CC=C32)CN1C(=O)C4=CC=CC=C4 1 2.56 3 1 -5.03815122232751 801918 CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC=C2OC 1 3.865 2 4 -13.156329114986 801912 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C 1 4.738 2 1 -10.0442840881615 801909 CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C 1 4.039 3 2 -11.2466782126955 801878 C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F 1 4.221 1 1 -3.51137132023128 801874 CC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C 1 2.275 2 3 -14.7467695380377 801863 CC1=CC=C(C=C1)NC(=O)C2=CSC(=C2C)C3=CC=CC=C3 1 5.058 1 1 0.35451889119038 801838 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.654 2 3 -13.492193031353 801828 CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O 1 3.882 2 3 -10.7219703308191 801818 CCN1CCN(CC1)C(=S)NC(=O)C2=CC=CS2 1 2.707 3 1 -11.3690093041603 801806 C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.032 2 2 0 -13.4999626005264 801802 C1=CC(=CC=C1C(=O)O)NC(=O)/C(=C/C2=CC=NC=C2)/C#N 1 1.4 3 3 0 -13.2860382340987 801800 CCOC1=CC=C(C=C1)NC(=S)C2=CC=NC=C2 1 3.168 2 1 -1.59849115652934 801795 C1=CC(=CN=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O 1 1.4 3 3 0 -13.9557935783101 801790 C1CCC(=CC1)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 3.816 1 2 -6.36368731568978 801784 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C2=NN=C4C 1 3.629 4 0 0.1645367682613 801781 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2NNC(=O)CCC(=O)O 1 2.131 4 3 0 -4.91007187254697 801780 CC1=C(C(=C(C=C1)S(=O)(=O)N2C(=NC=C2[N+](=O)[O-])C)C)C 1 2.812 3 4 0 -5.50244431050758 801779 CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC=NC=C2)C 1 2.625 2 2 -0.158398090280065 801778 C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NCC3=CN=CC=C3 1 3.024 2 1 -8.21244767929248 801772 C1=CC=C(C(=C1)C(=O)NC(=S)NCC2=CN=CC=C2)F 1 2.55 3 1 -12.8215347566105 801764 CC1=C(C=C(C=C1)C(C)C)S(=O)(=O)NC2=CN=CC=C2 1 2.847 2 2 -2.70282336560644 801753 CC(C)SC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)O 1 3.554 2 2 -10.7551983245012 801751 CCOC(=O)CSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CC=C2 1 4.487 2 2 -6.73257389443888 801741 CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CN=CC=C2 1 3.325 3 2 -12.1820458988323 801738 CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NCC2=CN=CC=C2 1 3.054 3 2 -14.9088329548788 801730 CC1=NCCN1S(=O)(=O)C2=C(C=CC(=C2)Cl)OC 1 1.458 2 3 0 -8.37763819057691 801720 CC1=NC(=C(N1)[N+](=O)[O-])SCC2=CC=C(C=C2)F 1 2.866 3 2 -5.61308714402414 801718 C1=CN(C(=C1)C=C(C#N)C#N)C2=CC=C(C=C2)S(=O)(=O)N 1 1.888 4 2 0 -4.68413770568773 801713 CC1=NC(=C(N1)[N+](=O)[O-])SCC2=CC=CC=C2 1 2.661 3 2 -7.13977907426899 801681 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)F 1 3.192 2 2 -3.2689446230036 801678 CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=O 1 2.386 1 3 -4.85817488622609 801677 CC1=CC2=C(C=C1)C3=C(N2)C(=O)CC(S3)(C)C 1 3.699 1 1 -2.2557223906667 801676 CCOC(=O)CN1C=C(C2=CC=CC=C21)C=O 1 2.144 1 3 -5.71086777305787 801672 CC1=CC(=C(N1C)C)/C=C(\C#N)/C(=O)NCCC2=CNC3=CC=CC=C32 1 3.133 4 1 -16.8626871163643 801661 CC1=NN=C2N1C3=CC=CC=C3N=C2NCCC4=CC=CC=C4 1 2.976 5 0 -4.56680578845751 801659 CC1=CC(=CC=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C=O 1 3.211 2 2 -4.26303124076792 801655 C1CN(C(=N1)C2=CC=CC=C2)C(=O)COC3=CC=CC=C3 1 2.606 2 2 -3.43595125557153 801592 CC1=CC(=C(C=C1C(C)C)S(=O)(=O)N2C=C(N=C2)C)OC 1 3.021 2 3 -6.51695563037725 801601 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CC1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 3.752 2 3 -0.88389561619295 801421 C1CN(C(=N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3F 1 2.977 2 1 -2.0606993354645 801418 CC(C)(C)C(=O)NC(=S)N1CCCC1 1 2.79 2 1 -15.5507063434241 801416 CCOC(=O)N1CCN(CC1)C(=O)CSCC2=CC=CC=C2 1 1.853 2 3 0 -11.6021633111287 801406 CC1=CC(=C(C=C1C)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C 1 3.551 1 4 -2.82627771496704 801394 COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=CC=CC=C3 1 3.25 2 2 -5.06491854980094 801366 CC1=C(SC=C1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 4.467 2 3 -1.61059847544569 801362 CC1=CC(=NN1S(=O)(=O)C2=C(C(=C(C=C2)Cl)Cl)OC)C 1 3.371 2 3 -8.19205284258743 801355 CC1=CN(C=N1)S(=O)(=O)C2=CC(=C(C=C2)Cl)OC 1 2.005 2 3 -8.36777286282415 801348 CC(=O)NN1C=C2C(=C1C3=CC=CC=C3)C(=O)N(C(=O)N2C)C 1 1.255 4 3 0 -8.54443977447241 801342 CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(=O)C=C(N3)COC 1 1.204 5 3 0 -7.40450056685089 801330 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(=NC=C2[N+](=O)[O-])C)C 1 2.812 3 4 0 -4.68197820045025 801325 CC(C)C(=O)NC(=S)N(CC1=CC=CC=C1)CC2=CC=CC=C2 1 5.079 2 1 -12.5526418356424 801317 CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=C(C=C2)C(C)(C)C 1 4.094 3 2 -6.5766805289669 801306 CC1=CC(=C(C=C1C)S(=O)(=O)NCC2=CN=CC=C2)C 1 2.632 2 2 -3.51407527392959 801290 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCOCC2 1 0.18 2 4 0 -12.0396172157522 801287 CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)CC(C)C 1 2.669 3 3 -15.7578322644856 801282 CN1C=CN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2 1 2.551 3 1 -6.36922837648838 801271 CN(C)C1=CC=C(C=C1)NC(=S)C2=CC=CC=N2 1 3.426 3 0 -5.34926052553189 801265 C1CCC(C1)N2C(=CC(=O)N2)N 1 0.104 3 1 0 -2.73443914373748 801259 C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl 1 3.971 2 1 1.84774774313755 801258 C1=CC=C(C=C1)C2=CC(=C(C(=O)O2)Cl)Cl 1 2.809 0 2 3.24231306515005 801220 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2CCCCC2 1 3.069 1 3 -8.3341335151682 801218 CCOC(=O)C1=C(N(N=C1)C(=O)C2=CC=CC=C2)N 1 1.51 3 3 0 -8.1037647672793 801216 CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 3.548 2 3 -0.906519750022362 801212 COC1=C(C=CC(=C1)SC)C(=O)NCCC2=CNC3=CC=CC=C32 1 3.761 2 2 -8.25264062987115 801201 CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C 1 3.473 2 2 -4.16911824280266 801188 CC(=O)N(C)C1=NN(C(=N1)N)C2=CC=CC=C2 1 1.014 5 1 0 0.874751144193596 801168 C1=CC=C(C=C1)CN2C=NC3=CC=CC4=C3C2=CC=C4 1 3.576 2 0 4.04539976589498 801165 CC1=CC=C(C=C1)OCC(=O)NC2=NCCS2 1 2.424 2 2 -11.3154867741224 801159 COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCOCC3 1 0.801 2 4 0 -9.44196918399974 801133 C1=CC=NC(=C1)C=NNC(=O)C2=CC=CS2 1 1.914 3 1 0 -4.03945737913261 801126 COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN 1 1.006 4 2 0 1.94098753364058e-002 801122 C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NC5=CC=C(C=C5)O)C#N 1 5.119 4 1 -7.76632904678196 801116 CCC1=NC(=CN1S(=O)(=O)C2=C(C=C(C(=C2)Cl)OC)Cl)C 1 3.597 2 3 -6.8344294230703 801114 CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)Cl 1 4.516 3 0 -6.85540644585702 801109 C1CCN(CC1)C2=NC=NC3=C2C=NN3CC4=CC=CC=C4 1 2.682 5 0 -0.201038220103374 801101 CC1=C(C2=CC=CC=C2N1CCOC3=CC=CC=C3OC)C=O 1 3.85 1 3 -5.35143750331947 801091 C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCNCC4 1 1.844 7 0 0 -3.63331174532746 801088 C1CCN(C1)C(=O)COC2=C(C=C3C4=C(CCC4)C(=O)OC3=C2)Cl 1 3.251 1 4 -15.0675399902237 801080 C1CN(CCN1C2=CC=CC=N2)C(=O)/C=C/C3=CC=C(C=C3)F 1 2.935 3 1 -0.921688247444688 801061 CCOC(CN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC)OCC 1 4.095 2 3 1.70756945575666 800998 C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)Cl 1 3.297 2 0 5.37300803229588 801007 CC(C)N(C(C)C)C(=O)C1=C(C=C(C=C1)OC)OC 1 2.663 1 3 -5.06793364960272 801011 CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)CC(C)C)C 1 4.245 2 3 -13.3882396615556 801055 CCOC(=O)CN1C=NC2=C(C1=O)C3=C(S2)CCC3 1 1.725 2 3 0 -18.8371514930997 801044 CN1C2=CC=CC=C2SC1=NN=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.568 4 2 -3.77253964451798 801031 C1=CC(=C(C(=C1)Cl)C=NNC(=O)CC2=CC=C(C=C2)Cl)Cl 1 4.711 2 1 -4.55323364443264 801024 C1=CSC(=C1)C=NNC(=O)CC2=CC=C(C=C2)Cl 1 3.336 2 1 -4.13830878469631 800992 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=O)C3=CC=CS3 1 3.736 3 4 0 -4.3171348618417 800989 C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)NN=CC3=CN=CC=C3 1 2.886 3 2 -3.58178949030077 800988 COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OC)OC2=O 1 2.917 0 4 -4.15054745301492 800982 CC1=CC=C(C=C1)C=NNC(=O)COC2=CC=CC=C2C3=CC=CC=C3 1 4.523 2 2 -3.49881178183766 800978 C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)NN=CC3=CC=NC=C3 1 2.886 3 2 -3.6850618639758 800976 C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)NN=CC3=CC=CC=N3 1 3.315 3 2 -2.22858633964986 800972 CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C(C)(C)C 1 3.787 0 4 -0.204641589784877 800971 C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.654 3 2 -7.59774070576914 800966 CC1=C(C2=C(O1)C=CC(=C2)OCC3=C(C=C(C=C3)F)Cl)C(=O)O 1 4.345 0 4 -1.18797238207765 800941 CCOC(=O)C1=C(C=C(S1)NC(=O)NC2=CC=C(C=C2)Cl)C 1 3.955 2 3 -5.27332344486696 800932 C1=CC(=C(C(=C1)Cl)CC(=O)C2=C(C=C(C=C2)O)O)F 1 3.654 0 3 2.69791189252664 800921 COC1=CC=CC=C1OCC(=O)NC2CCCCCC2 1 3.171 1 3 -11.2606514563089 800920 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC)N3C(=O)C4=CC=CC=C4C3=O 1 2.198 1 5 -5.49242421912563 800918 CC(=O)C1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)C(=O)C)O 1 2.414 0 5 -6.21178733650901 800911 COC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.245 3 2 -5.18679815612425 800904 CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C)C(=O)N3CCOCC3 1 1.148 1 5 0 -10.2795489365721 800890 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)C 1 3.496 1 2 -5.80378676249515 800875 CC1=C(SC2=C1C(=O)N(C3=NN=C(N23)C)C4=CC=CC=C4)C 1 2.934 4 1 -10.1422673540382 800850 C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=CC=C3O 1 3.915 1 1 10.2238115993492 800833 CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 3.431 1 3 -3.84908057366122 800830 CC(=O)C1=CC(=CC=C1)NC(=O)OC2=CC=CC=C2 1 2.91 1 3 -3.77782023805441 800829 C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=O)[N+](=O)[O-] 1 3.566 2 3 -2.76880936421279 800773 CCOC1=CC2=C(C=C1)OC(=C2C(=O)N)C3=CC=CC=C3 1 3.278 1 3 2.17745151033435 800777 C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2C4=CC=CO4 1 4.503 2 2 1.2243791379161 800782 COC1=C(C=C(C=C1)Cl)NC2=NC(=CS2)C3=CN=CC=C3 1 3.184 3 1 7.3056537935222 800820 CC1=C(C=CC(=C1)O)NC(=O)C2=CC=CC=C2 1 2.858 1 2 -5.26771428715726 800809 CCN1C2=CC=CC=C2N=C1COC3=CC=C(C=C3)C 1 4.146 2 1 0.899879852223921 800807 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCC4=CC=CC=C4C3 1 2.915 1 4 -14.9284081766496 800766 CC1=C(N2C=CSC2=N1)C3=CSC(=N3)NCC4=CC=CC=C4 1 2.876 4 0 2.28209816321702 800760 CC1=C(C(=C(N1CC2=CC=CC=C2)C)C=O)C=O 1 2.522 1 2 -3.54860512933803 800756 COC1=CC(=C(C=C1)NC(=S)NCC2=CC=C(C=C2)Cl)OC 1 4.727 2 2 -8.65022121473744 800754 COC1=CC=C(C=C1)CNC(=O)C2=NC3=CC=CC=C3C=C2 1 3.22 2 2 -9.74659599504849 800748 COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CCO)OC 1 2.433 3 3 -10.4127889078493 800747 C1=CC(=CC=C1/C=C/C(=O)NC2=NC=C(C=C2)Br)Cl 1 3.883 2 1 -4.02885566868784 800745 CC1=C(C=CC=C1Cl)NC(=S)NCCC(C)C 1 5.243 2 0 -9.83146508443407 800739 COC1=CC(=CC(=C1)NC(=S)NCC2=CN=CC=C2)OC 1 2.912 3 2 -12.7173902466097 800730 CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)CC(=O)O 1 1.82 1 4 0 -5.81806033680236 800729 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CN2C=NN=N2 1 -0.329 6 3 0 -19.8364992396468 800725 C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 5.93 2 1 -5.68205935022973 800724 C1CN(CCC1C(=O)N)CC(=O)NCC2=CC=CC=C2 1 0.437 3 2 0 -9.69972463271842 800721 C1=CC=C(C=C1)CN(C2=CC=CC=N2)SC3=CC=CC=C3[N+](=O)[O-] 1 5.043 3 2 -4.65412474736133 800711 CC(C)CNC=C1C(=O)CC(CC1=O)C2=CC=C(C=C2)OC 1 2.17 1 3 -11.7658619892518 800707 COC1=C(C=C(C=C1)NC(=S)SC)OC 1 3.49 1 2 -5.78738660432862 800700 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCOCC2 1 4.8e-002 2 4 0 -11.97632659889 800685 C1=CC=C(C=C1)SCC(=O)NCC2=CC=CO2 1 2.196 1 2 -11.7579387659685 800677 COC1=CC(=C(C=C1)NC(=S)NCC2=CC=CS2)OC 1 3.802 2 2 -13.3204717475014 800675 CC1CCN(CC1)C(=O)CN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C 1 2.354 2 3 -16.1234699746456 800671 CNC(=S)NC1=CC(=C(C=C1)OC)OC 1 2.479 2 2 -12.43843913775 800669 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4 1 4.135 3 1 6.85669669796412 800668 CC1=CC(=C(C=C1)C)NC(=S)NCC2=CC3=C(C=C2)OCO3 1 4.836 2 2 -9.51727512628503 800651 C1COC2=C(O1)C=CC(=C2)N3C=NC4=CC=CC=C4C3=O 1 2.318 2 3 -7.26458402132721 800648 C1CCCC(CC1)NC(=S)NCCC2=CC=CC=C2 1 4.877 2 0 -10.1786960346308 800646 CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC=CS2 1 4.986 2 0 -7.59324865471154 800645 C1COCCN1CCNC(=S)NCCC2=CC=CC=C2 1 2.388 3 1 -9.98431556629213 800642 COC1=CC(=C(C=C1)NC(=S)NC2=CC=CC=N2)OC 1 3.722 3 2 -7.15610556933255 800641 CC1=CC=C(C=C1)NC(=O)CCN2C=NC3=CC=CC=C3C2=O 1 2.327 3 2 -7.24366456777867 800640 CC1=NN(C(=S)C2=CC=CC=C12)C3=CC=CC=C3 1 4.152 2 0 -0.435464895638191 800635 CCOC1=C(C=CC(=C1)C(=S)N2CCCC2)OC 1 3.444 1 2 -9.70104394303501 800628 CCOC(=O)C1=C(N(C2=C1C=C(C3=CC=CC=C32)O)CC4=CC=CO4)C 1 4.11 1 4 -4.33256368287932 800622 CC(=O)N1CCN(CC1)C(=S)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.778 3 3 0 -7.26911395527539 800619 CN1CCN(CC1)NC(=S)NC2=C(C=CC(=C2)OC)OC 1 2.079 4 2 -4.42842699213398 800617 CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC=C(C=C2)F 1 5.451 2 0 -3.93572556054437 800616 C1CCCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.584 3 2 1.15498503573557 800601 C1=CC=C(C=C1)CCNC(=S)NCC2=CC=CS2 1 3.885 2 0 -11.2001351764296 800597 COC1=CC2=C(C=C1)C=CC(=C2C=NN3C=NN=C3)OC 1 1.92 4 2 0 3.743569323194 800590 CN1CCN(CC1)C(=S)NC2=CC(=CC(=C2)OC)OC 1 2.972 3 2 -11.2246535226743 800583 CC1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)OC)C 1 5.051 2 1 -7.70971164858652 800575 CC1=CC(=C(C=C1)NC(=S)NN2CCN(CC2)C)C 1 3.084 4 0 -4.52945766359892 800572 COC1=CC(=C(C=C1)OC)NC(=S)NN2CCOCC2 1 1.809 3 3 0 -8.54019928315909 800571 COC1=CC(=C(C=C1)OC)NC(=S)NCCN2CCOCC2 1 2.305 3 3 -12.0930374093909 800565 CN1CCN(CC1)NC(=S)NC2=CC(=CC(=C2)OC)OC 1 2.079 4 2 -6.13350972869511 800562 CC1=CC(=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)OC)C 1 5.373 2 1 -9.61498847494779 800559 CC1=C(C=CC=C1Cl)NC(=S)N2CCOCC2 1 3.886 2 1 -9.37158845781999 800556 C1CCN(C1)C(=S)C2=CC=C(C=C2)OCC3=CC=CC=C3 1 4.695 1 1 -3.69158529405571 800555 CC1=C(C=CC(=C1)Cl)NC(=S)NCC2=CC=CS2 1 4.986 2 0 -8.78097931796797 800535 C1CCC(CC1)C(=O)NCC(=O)NC2CCCCC2 1 2.418 2 2 -10.4341552390405 800532 CC1=C(C=CC=C1Cl)NC(=S)NC2CC2 1 4.152 2 0 -5.31908145420677 800522 CC1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C 1 3.773 3 2 -13.378591536196 800518 CC1=CC=C(C=C1)SC(=O)C2=CC(=C(C=C2)OC)OC 1 4.273 0 3 -1.66479329488293 800517 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)NCC(=O)O 1 3.16 3 2 6.70932904295756 800516 CC1=CC(=C(C=C1)NC(=S)N2CCOCC2)C 1 3.708 2 1 -13.3898685699326 800514 C1CN(CCN1CCO)C(=S)NCCC2=CC=CC=C2 1 2.516 3 1 -8.01911468850408 800508 COC1=CC(=C(C=C1)NC(=S)NC2CCCCCC2)OC 1 4.794 2 2 -10.9845611075223 800496 C1COCCN1CC2=CC=C(C=C2)C(=O)NCC3=CC=CO3 1 1.564 2 3 0 -9.61884586750246 800492 CN(C)C1=C(C=C(C=C1)C(=S)N2CCCC2)Br 1 4.039 2 0 -6.24812431766061 800487 C1=CC=NC(=C1)SC2=C(C(=O)N3C=CC=CC3=N2)C=O 1 1.561 3 2 0 -9.86158392006497 800480 CC1=C(C=CC=C1Cl)NC(=S)NCCN2CCOCC2 1 3.489 3 1 -8.17578796874324 800478 COC1=CC(=CC(=C1)NC(=S)NC2=CC=CC=N2)OC 1 3.722 3 2 -6.87838651020866 800469 C1=CC=C(C=C1)SCC(=O)NCC2=CN=CC=C2 1 1.864 2 1 0 -12.1273414918352 800468 CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CNC(=O)C2CCCCC2 1 2.478 2 4 -15.4184687203259 800465 C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(O2)C(=O)NCC3=CN=CC=C3 1 4.004 2 2 -5.48615615775582 800464 COC1=CC(=C(C=C1)NC(=S)N2CCOCC2)OC 1 2.703 2 3 -15.1962057771346 800461 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)Br 1 3.052 1 3 -12.3799445258926 800459 C1=CC=C(C(=C1)CNC(=S)NC2=CC=C(C=C2)F)Cl 1 4.965 2 0 -7.55974384563053 800458 COC1=C(C=C(C=C1)Br)C(=O)NCC2=CN=CC=C2 1 2.203 2 2 -9.48579145602237 800457 CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=C(C=C3)C 1 4.353 3 0 4.73699527418016 800455 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC=C4)O 1 4.704 3 1 12.7363586122166 800454 CC1=C(C(=CC=C1)NC(=S)NCCN2CCOCC2)C 1 3.311 3 1 -8.42546771197077 800452 CC1=CC(=NN1C2=NC(=O)C(=NN2)C)C 1 0.664 5 1 0 -10.3842762005733 800451 CC(C)(C)NC(=O)CSC1=NC=CN1CC2=CC=CC=C2 1 2.581 3 1 -17.494191782684 800445 CC1=CC(=C(C=C1)NC(=S)NCCC2=CC=CC=C2)C 1 5.389 2 0 -10.0168371705832 800443 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)F 1 2.267 1 4 -11.9196106606334 800442 CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CCO 1 3.438 3 1 -7.26897171717934 800438 CC1=C(C=CC=C1Cl)NC(=S)NC2=CC=CC=N2 1 4.905 3 0 -1.4288824765427 800437 CN(C)S(=O)(=O)N(CC(=O)N1CCOCC1)C2=CC=CC=C2 1 -0.509 3 4 0 -13.9409461611609 800435 C1CCC(CC1)C(=O)NCC(=O)NC2=CC=CC=C2 1 2.136 2 2 -8.73845628345639 800434 C1CCC(CC1)C(=O)NCC(=O)NC2=NCCS2 1 1.624 3 2 0 -15.6070448862446 800429 CC1(CC2=C(CO1)C=C(C(=N2)N3CCOCC3)C#N)C 1 0.93 3 2 0 -10.9104687171886 800417 COC1=CC(=C(C=C1)NC(=S)NC2=C(C=C(C=C2)OC)OC)OC 1 4.301 2 4 -7.69852692604294 800400 CC1=CC=C(C=C1)SC(=O)COC2=CC=CC=C2OC 1 4.125 0 3 -2.02119296368802 800395 CC1=C(C=CC(=C1)Cl)NC(=S)NCC2=CC=C(C=C2)F 1 5.451 2 0 -5.22085045032558 800388 COC1=CC(=C(C=C1)NC(=S)NC2CCCC2)OC 1 3.881 2 2 -10.6300925933542 800382 CC1=C(C(=CC=C1)NC(=S)NC2=CC=CC=N2)C 1 4.727 3 0 -1.67856221977022 800379 CCN1C=NC2=C(C1=O)C(=C(S2)C)C 1 1.723 2 1 0 -7.74605428218966 800365 COC1=CC(=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F)OC 1 4.268 2 2 -9.76034287985901 800363 CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC3=C(C=C2)OCO3 1 5.014 2 2 -6.34285652323474 800359 C1=CC(=CC=C1C2=NNC(=C2)C(C(F)F)(F)F)Cl 1 4.116 2 0 5.64743376514198 800358 COC1=CC(=CC(=C1)NC(=S)NCC2=CC=CS2)OC 1 3.802 2 2 -13.0427526883775 800355 CC1=C(C=CC(=C1)Cl)NC(=S)NCC2=CC=C(C=C2)Cl 1 5.91 2 0 -6.10004304834771 800354 C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3=CC(=CC=C3)Cl 1 2.505 3 2 -4.592189537598 800353 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NCC2=CN=CC=C2 1 1.2 3 4 0 -14.6543108018434 800341 COC1=CC2=C(C=C1)C(=O)C=C(O2)C(C(F)(F)F)(F)F 1 3.035 0 3 -2.42913036139055 800339 CN(C)CCNC(=S)NC1=CC=C(C=C1)Cl 1 3.315 3 0 -4.08046397603657 800337 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCN4CCOCC4 1 3.196 4 1 6.03069159195699 800336 C1CCC(CC1)C(=O)NCC(=O)NC2=CC=C(C=C2)Cl 1 2.8 2 2 -6.75980345449622 800330 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)OC 1 2.045 1 5 -13.7192289010163 800329 CC1=CC(=C(C=C1)NC(=S)NCC2=CC=CS2)C 1 4.808 2 0 -11.5141345402994 800328 CC1=C(C(=CC=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C 1 4.836 2 2 -6.59253626646226 800327 CC1=NC=CN1C2=C3C4=C(CCCC4)SC3=NC=N2 1 2.965 4 0 -7.5596395203335 800324 CCN1CCN(CC1)C(=S)NC2=C(C=C(C=C2)Cl)Cl 1 4.683 3 0 -6.07633099131698 800320 CC1=C(C(=CC=C1)NC(=S)NCCC2=CC=CC=C2)C 1 5.389 2 0 -6.34563102822291 800315 C1CCC(CC1)N2CCN(CC2)C(=S)NC3=CC=CC=C3 1 4.863 3 0 -7.476461244842 800294 CC1=CC(=C(C=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C 1 3.773 3 2 -14.7477287948759 800292 C1=CC(=CN=C1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.49 3 3 -5.56692711989798 800285 C1CCN(C1)C(=S)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F 1 4.901 1 1 -2.16489336381086 800282 COC1=C(C=C(C=C1)C(=S)N2CCCC2)OC 1 3.095 1 2 -8.5192440079379 800281 C1=CC=C(C=C1)CC(=O)NCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.257 2 5 0 -14.173539536486 800280 CC1=CC(=C(C=C1)NC(=S)NCC2=CC=C(C=C2)Cl)C 1 5.732 2 0 -6.84388400753544 800273 C1=CC=C(C=C1)CCNC(=S)NCC2=CC=CC=C2Cl 1 4.81 2 0 -9.78654153522359 800272 COC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)C(=O)N)OC 1 2.489 3 3 -14.7463472064454 800271 CCOC(=O)N1CCN(CC1)C(=S)NC 1 1.402 3 2 0 -11.2726389939839 800270 C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.579 4 2 -3.91050028039628 800267 COC1=CC(=CC(=C1)NC(=S)NCC2=CC=CO2)OC 1 3.244 2 3 -12.3479875207429 800266 CC1=CC(=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C 1 4.836 2 2 -10.500974539569 800263 CC1=C(C=CC(=C1)Cl)NC(=S)NCC2=CC=CC=C2 1 5.246 2 0 -6.74754238057043 800260 CC1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)C=NN3C=NN=C3 1 2.151 5 2 0 -3.417214340232 800257 CC1=C(C=CC(=C1)Cl)NC(=S)NCCN2CCOCC2 1 3.489 3 1 -9.46091285852445 800252 C1CCN(C1)C(=S)C2=CC=C(C=C2)OCC3=CC=CC=C3F 1 4.901 1 1 -3.75251401214311 800250 CCC1=CC2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)N 1 3.266 3 2 -21.8392473136389 800238 C1=CC=C(C=C1)C2=CSC(=N2)NN=CC3=CC=CS3 1 3.709 3 0 2.69303405467559 800235 CC1=C(NC2=C1C=C(C=C2)C3=NNC(=S)N3C4=CC=CC=C4)C 1 4.603 4 0 -0.262546641079908 800231 COC1=CC=C(C=C1)CC2=NN=C(S2)N 1 1.5 3 1 0 -1.9501092090991 800230 C1=CC=C(C=C1)CC2=NN=C(O2)C3=CC=CC=C3 1 3.089 2 1 -4.69093582023831 800229 C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 5.695 2 0 -2.08820420637772 800217 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)/C=C/C3=CC=CC=C3 1 4.535 2 1 -4.83187368250921 800213 CC(C)(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3 1 4.414 3 1 -4.96596209125168 800208 C1COCCN1C(=O)CN2C3=CC=CC=C3SC2=O 1 1.057 2 3 0 -7.40559122405456 800197 CC1CCN(CC1)C2=NC3=C(COC(C3)(C)C)C=C2C#N 1 2.411 3 1 -10.7297807884847 800192 CCN1CCN(CC1)C(=S)NC2=CC=C(C=C2)Cl 1 4.018 3 0 -7.6473574129322 800191 CC(C)C1=CC=C(C=C1)NCCC(=O)C2=CC=CS2 1 4.29 1 1 -5.49550533160838 800187 C1CCC(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.474 2 3 -20.4528532109271 800183 CC1=C(C(=CC=C1)NC(=S)NCC2=CC=CS2)C 1 4.808 2 0 -7.84292839793906 800175 CC1=CC(=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F)C 1 5.273 2 0 -7.95400567265701 800172 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCCC2 1 1.975 2 3 0 -14.8499192999464 800157 COC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)Br 1 2.203 2 2 -10.3174349384921 800153 C1COCCN1C(=S)NC2=CC=C(C=C2)Cl 1 3.4 2 1 -10.3660343341257 800148 CC1=C(C(=CC=C1)NC(=S)NC2CCCC2)C 1 4.886 2 0 -5.05515501726714 800131 CN(C)C(=O)CNC(=O)C1CCCCC1 1 0.765 2 2 0 -8.06044874582849 800117 CCNC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 4.421 2 1 -5.61627344282719 800110 CC1=C(C(=CC=C1)NC(=S)N2CCOCC2)C 1 3.708 2 1 -9.62126820104752 800106 COC1=CC(=C(C=C1)OC)NC(=S)NCC2=CC=CO2 1 3.244 2 3 -10.7183387011999 800098 C1CC(=O)N(C1=O)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3 1 2.422 1 4 -13.3752261826329 800093 C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC(=CC=C3)Cl 1 4.349 3 0 2.38079893897759 800085 CC1=CC(=C(O1)C)C(=O)NN=CC2=CC3=C(C=C2)OCO3 1 1.846 2 4 0 -8.4231722836413 800082 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 3.32 1 4 -10.0800161718232 800081 CC1=CC=C(C=C1)SC(=O)COC2=CC=CC=C2C 1 4.627 0 2 1.750972994839 800080 COC1=CC2=C(C=C1)OC(=CC2=O)C(C(F)(F)F)(F)F 1 3.035 0 3 -1.85784672940952 800077 CC1=C(C=CC(=C1)C(=S)N2CCCC2)OC 1 3.598 1 1 -3.21649612065096 800073 CNC(=S)NCCN1CCOCC1 1 0.484 3 1 0 -11.9410830502467 800068 CC1=CC(=NN1C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl)C 1 2.915 3 3 -7.40713714036818 800067 COC1=C(C=C(C=C1)C(=S)N2CCCC2)Br 1 3.86 1 1 -4.41252176078442 800062 C1=COC(=C1)/C=C(\C(=O)N)/NC(=O)C2=CC=C(O2)Br 1 1.147 2 4 0 -11.9286681662997 800048 CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])Cl 1 1.918 2 3 0 -3.37765344697223 800029 C1CN(CCN1C2=CC=CC=C2)C(=S)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.191 3 2 -3.83317730509535 800025 CC1=CC(=C(C=C1)NC(=S)NCCC2=CNC3=CC=CC=C32)C 1 5.682 3 0 -12.6626116325465 800023 C1CCC2=C(C1)C(=S)N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.926 2 3 -8.97528711249905 800017 CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=NN2CCCCC2 1 2.493 4 3 0 -5.60220359053475 800016 C1CCC(CC1)C(=O)NCC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 3.465 2 2 -6.67712162054225 800015 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=NN2CCOCC2 1 0.596 4 4 0 -6.6958687254541 800005 CC1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N=NN(C)C 1 3.059 4 3 0 -3.42759417553071 799999 CC1=C(C(=CC=C1)NC(=S)NCC2=CC=C(C=C2)OC)C 1 5.051 2 1 -5.31024853838129 799997 CC1=CC(=CC(=C1)NC(=S)NCCN2CCOCC2)C 1 3.311 3 1 -10.9003647391941 799949 CCN(CC)N=NC1=CC(=CC=C1)NC(=O)C 1 2.031 4 1 -8.24915104714226e-002 799953 CC(=O)NC1=CC=CC(=C1)N=NN2CCOCC2 1 1.021 4 2 0 -1.22832072273091 799955 CC(=O)NC1=CC=CC(=C1)N=NN2CCCCC2 1 2.251 4 1 1.68498687814009e-002 799959 C1=CC=C(C=C1)CCNC(=S)NC2=CC=CC=N2 1 3.805 3 0 -7.25070654678972 799961 C1=COC(=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=C(O2)Br 1 1.775 1 5 0 -11.830631487203 799989 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NN(C)C)C 1 2.008 6 2 0 -3.43838405613884 799986 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)C 1 3.923 2 2 -6.49838872050815 799985 COC1=C(C=CC(=C1)C(=S)N2CCCC2)OCC3=CC=CC=C3 1 4.679 1 2 -9.09673976345008 799983 C1CCN(CC1)N=NC2=CC=C(C=C2)S(=O)(=O)N 1 1.836 4 2 0 -2.62990646410868 799981 CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC=CC=C2 1 5.246 2 0 -5.559811717314 799980 CC1=C(C=CC=C1Cl)NC(=S)NCC(C)C 1 4.854 2 0 -5.65982435835587 799973 CCN(CC)C(=O)CSC1=NC(=CC(=O)N1)OC 1 1.082 3 3 0 -20.4372409027713 799965 CC1=CC(=CC(=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C 1 4.836 2 2 -9.13183728088914 799944 CC(=O)NC1=CC=C(C=C1)N=NN2CCOCC2 1 1.021 4 2 0 -3.28387075616521 799942 C1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)OCC(=O)N)/C#N 1 2.492 2 2 -11.2389815500487 799935 COC(=O)C1=CC=C(C=C1)N=NN2CCCCC2 1 2.986 3 2 -0.951913437247109 799932 CC1=C(C(=CC=C1)NC(=S)NCCC2=CC=C(C=C2)OC)C 1 5.373 2 1 -5.84638810606268 799931 COC(=O)C1=CC=C(C=C1)N=NN2CCOCC2 1 1.756 3 3 0 -2.19708402875942 799929 C1CCN(CC1)N=NC2=CC=C(C=C2)C(=O)O 1 2.76 3 2 0.167935611384884 799928 C1COCCN1N=NC2=CC=C(C=C2)C(=O)O 1 1.531 3 3 0 -1.07723498012743 799927 C1CN(CCN1C(=O)C2=CC=CO2)C(=S)NC3=CC=C(C=C3)F 1 3.53 3 2 -11.4221320904492 799918 CC1=CC(=C(C=C1)NC(=S)NC2CCCC2)C 1 4.886 2 0 -8.82375538615226 799910 COC1=CC(=C(C=C1)NC(=S)NC2=CC=C(C=C2)F)OC 1 4.539 2 2 -7.62087090716328 799904 CCOC1=C(C=C(C=C1)C(=S)N2CCCC2)OC 1 3.444 1 2 -10.0228531051664 799898 C1CCN(CC1)C(=S)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3 1 5.016 1 2 -11.1971618868866 799887 CC1=C(C=CC=C1Cl)NC(=S)NC2CCCC2 1 5.064 2 0 -4.80547527403961 799886 CC1=C(NC2=C1C=C(C=C2)C3=NNC(=S)N3CC=C)C 1 3.643 4 0 -4.69918039211143 799882 C1CCN(CC1)C(=S)C2=CC(=CC=C2)O 1 3.342 1 1 -2.32162029536874 799853 COC1=CC(=C(C=C1)NC(=S)NCC2=CC=CO2)OC 1 3.244 2 3 -12.6257065798668 799832 CC1=C(C=CC(=C1)Cl)NC(=S)NC2CCCC2 1 5.064 2 0 -6.09060016382083 799827 COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)C(F)(F)F 1 2.831 0 5 -1.14426352451944 799823 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OC(C)C)C 1 1.808 2 3 0 -14.6088894779725 799810 C1CCC(=CC1)CCNC(=O)CC2=CC=CC=C2 1 3.4 1 1 -12.3306015975072 799797 C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C(=C2O)[N+](=O)[O-] 1 3.331 2 4 -1.69290185571406 799784 COC1=CC(=C(C=C1)OC)NC(=S)NCC2=CC=CS2 1 3.802 2 2 -11.4131038688345 799774 COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)OC 1 2.349 1 5 -12.112017209499 799770 CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N(C)C 1 3.486 2 2 -8.32008405816457 799768 COC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)C2CCCCC2 1 1.991 2 4 0 -11.6669789104551 799762 CC1=C(C=CC(=C1)Cl)NC(=S)NCC2=CC=CO2 1 4.428 2 1 -8.08621415033337 799758 C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NCC3=CN=CC=C3)[N+](=O)[O-] 1 2.57 3 4 0 -7.89408753461994 799757 CC(=O)N1CCN(CC1)C(=S)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.778 3 3 0 -9.29883747781935 799751 CC1=C(C=C(C=C1)N2C(=CC(=N2)C)C)Cl 1 3.635 2 0 -1.48973154146847 799748 CC1=CC=CC=C1N2CCN(CC2)C(=S)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.677 3 2 -0.44475004445019 799746 COC1=CC(=C(C=C1)NC(=S)NCCN2CCOCC2)OC 1 2.305 3 3 -14.0004052880579 799745 CC1=CC=C(C=C1)OCC(=O)SC2=CC=C(C=C2)C 1 4.627 0 2 1.03609338741146 799744 CNC(=S)NCC1=CC=C(C=C1)Cl 1 2.905 2 0 -6.51546505990821 799741 C1=CC=C(C=C1)SC2=C(C(=O)N3C=CC=CC3=N2)C=O 1 2.173 2 2 -6.62124557538593 799739 COC1=CC(=CC(=C1)NC(=S)NN2CCOCC2)OC 1 1.809 3 3 0 -10.2452820197202 799737 COC1=CC(=CC(=C1)NC(=S)NCCN2CCOCC2)OC 1 2.305 3 3 -13.7981201459521 799736 CC1=C(C(=CC=C1)NC(=S)NCC2=CC=CO2)C 1 4.25 2 1 -7.14816323030447 799732 CNC(=S)NC1=C(C=CC(=C1)Cl)OC2=CC=CC=C2 1 4.736 2 1 -4.07348497569969 799729 CC1=C(C(=CC=C1)NC(=S)NCC2=CC=C(C=C2)F)C 1 5.273 2 0 -4.1854053037719 799727 CNC(=S)NCC1=CC=C(C=C1)OC 1 2.224 2 1 -8.75042995963916 799726 CN(C)C1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)Br 1 4.179 1 2 -5.00845229977989 799722 CCC1=NN=C(N1N)SCC2=CC(=C(C=C2)OC)Br 1 3.028 4 1 -12.105598582451 799719 CC1=C(C(=CC=C1)NC(=S)NN2CCN(CC2)C)C 1 3.084 4 0 -0.760857294713805 799715 C1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.739 2 3 0 -18.6559273822956 799709 CCC1=NC(=NN1)SCC2=CC(=C(C=C2)OC)Br 1 3.896 3 1 -5.9691973199589 799707 CCC1=NC(=NN1)SCC2=CC=C(C=C2)OCC(C)C 1 4.339 3 1 -8.06571608338144 799698 CC1=NN=C(N1N)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 1.507 5 3 0 -14.2341859301842 799689 COC1=C(C=C(C=C1)CSC2=NN=CN2N)[N+](=O)[O-] 1 1.247 5 3 0 -12.2581288944453 799687 COC1=C(C=C(C=C1)CSC2=NN=CN2N)Br 1 2.101 4 1 -9.53047615744581 799682 CC1=NC(=NN1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 2.375 4 3 0 -8.44377656534219 799681 CC1=CC(=C(C=C1)NC(=S)NCC2=CC=CC=C2Cl)C 1 5.732 2 0 -10.0295221286057 799677 CCOC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)C2CCCCC2 1 2.34 2 4 -13.0042090536401 799676 CC1=C(C=CC=C1Cl)NC(=S)NCCC2=CC=C(C=C2)Cl 1 6.231 2 0 -4.17787246462267 799675 COC1=C(C=C(C=C1)CSC2=NC=NN2)[N+](=O)[O-] 1 2.135 4 3 0 -12.6151782184569 799673 CC1=CC=CC=C1C(=O)NC2=NC=C(C=C2)Br 1 3.237 2 1 -8.90746315505231 799652 COC1=CC(=C(C=C1)NC(=S)NCC2=CC=CC=C2Cl)OC 1 4.727 2 2 -11.8358593358077 799650 C1=CC=C(C=C1)CCNC(=S)NCCC2=CC=CC=C2 1 4.467 2 0 -6.87451504118264 799642 CCC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC24CCCC4 1 3.228 2 1 -7.0578334581389 799587 CC(=NNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C)C 1 1.428 6 2 0 -11.8758015307077 799625 CC1=CC=C(C=C1)C(=O)C2=NC3=C(N2O)CCCC3 1 1.278 2 2 0 -1.10228778611412 799618 CCN(CC)CCN1C2=CC=CC=C2N(C1=N)CCO 1 1.456 4 1 0 -1.96787376664756 799612 CCOC1=CC=C(C=C1)N/C=C/C(=O)C2=CC=C(C=C2)OC 1 3.359 1 3 -1.03714294879258 799607 CC(=O)NC1=NC2=CC=CC=C2N1CC3=CC=CC=C3 1 2.797 3 1 -6.40074432857316 799602 CCCN1C2=CC=CC=C2N=C1N 1 2.219 3 0 2.59179361566288 799571 CCCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C#N 1 3.41 3 1 -14.0669706581001 799512 CNC(=O)CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)F 1 2.07 2 3 -10.5797943351464 799556 COC(=O)C1=NN2C(=CC(=NC2=N1)C3=CC=CS3)C(F)(F)F 1 3.468 4 2 -10.5056992214946 799552 C1=CC2=NC3=C(N2C=C1)N=C4N3C=CC=C4 1 1.467 4 0 0 -3.05126194390899 799530 CC1=NN(C(=C1C(=O)NC2=CC=CC=C2)Cl)C3=CC=CC=C3 1 3.582 3 1 -5.50300232735894 799493 CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)Cl)CCC(=NO)C 1 4.015 1 3 8.42213771966692 799487 CC1=CC2=C(C=C1)OC(=C2C3=CC=C(O3)C)CCC(=O)C 1 3.77 0 3 1.52436496352687 799470 CC1(N(C2=CC=CC=C2N1C)C)C3=CC=CC=C3 1 3.695 2 0 -1.00728768760388 799451 CC1=CC=C(C=C1)C(=O)/C=C/NC2=CC(=CC=C2)OC 1 3.513 1 2 0.2613700688181 799448 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NC(=O)C 1 3.283 3 1 -5.41751642678116 799445 C1COCCN1CC(=O)NC2=CC=C(C=C2)C(=O)N 1 -0.354 3 3 0 -11.0622696931284 799414 CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C)C 1 3.977 3 0 -9.06453574528829 799396 CC1=CC(=C(C=C1)C)NC(=S)NCCC2=CC=C(C=C2)OC 1 5.373 2 1 -8.63128906166381 799395 C1=CC(=CN=C1)CNC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.497 3 3 -9.18494786675907 799368 COC1=CC(=C(C=C1)OC)NC(=S)NCC2=CN=CC=C2 1 2.912 3 2 -11.0877414270666 799364 CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC=C(C=C2)Cl 1 5.91 2 0 -3.64173289694128 799363 C1OC2=C(O1)C=C(C=C2)CNC3=NC4=CC=CC=C4N3 1 2.575 3 2 0.783417257472046 799340 C1CCC(CC1)C(=O)NCC(=O)NC2=CC=CC=C2Cl 1 2.8 2 2 -8.5811378736569 799322 CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CCO)C 1 3.438 3 1 -7.51503350109134 799309 CC1=CC(=CC=C1)N2CCN(CC2)C(=S)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.677 3 2 0.895301049727241 799307 CC1=C(C=CC(=C1)Cl)NC(=S)NCC(C)C 1 4.854 2 0 -6.94494924813708 799299 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CCO)C 1 1.823 2 3 0 -7.00681761797244 799294 CC1=C(C(=CC=C1)NC(=S)NCC2=CC=CC=C2)C 1 5.068 2 0 -5.80949146054152 799293 CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC=CC=C2Cl 1 5.91 2 0 -7.07169324222142 799292 CN(C)S(=O)(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2 1 1.995 2 2 0 1.21880718805487 799290 CC1=C(C=CC(=C1)Cl)NC(=S)N2CCOCC2 1 3.886 2 1 -10.6567133476012 799289 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C 1 3.001 2 4 -5.66833534497543 799282 CC1=C(C(=CC=C1)NC(=S)NCCC2=CC=C(C=C2)Cl)C 1 6.053 2 0 -3.61142320633172 799278 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CNC2CCCCC2 1 2.659 3 3 -7.14071314690472 799277 CC1=C(SC2=C1C(=O)OC(=N2)C3=CC=C(C=C3)Br)C 1 4.307 1 2 -5.97578005959832 799265 CC1=CC(=CC(=C1)NC(=S)NCCC2=CC=C(C=C2)OC)C 1 5.373 2 1 -8.24585121626791 799264 CC1(OCCO1)CC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)Cl 1 2.699 2 4 -3.96098865478811 799204 CCCC1=C(N=C(S1)N)C2=CC=C(C=C2)C 1 3.782 2 0 8.23229734248874 799215 COC1=CC(=C(C=C1)NC(=S)NCC2=CC=CC=C2)OC 1 4.063 2 2 -11.2870348101039 799244 CC1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)N 1 4.275 4 0 0.270909110016729 799236 CC1=CC(=CC(=C1)NC(=S)NC2=CC=CC=N2)C 1 4.727 3 0 -3.98063110345068 799235 CC1=CC(=NC(=N1)SCC2=CC3=NON=C3C=C2)C 1 2.832 4 1 -6.97117919935835 799232 CCOC1=CC=C(C=C1)NC2=NC=NC(=N2)N 1 1.486 5 1 0 -0.98164692594089 799221 CC1=CC=CC=C1C2=NN=C(O2)CC3=CC=CC=C3 1 3.575 2 1 -5.68850030078098 799219 CC1=CC(=C2C(=C1)OC(=CC2=O)C(F)F)C 1 3.038 0 2 -1.67203734642914 799168 CC1=CC=C(C=C1)S(=O)(=O)N(CC#N)CC#N 1 0.894 3 2 0 -9.10583591341037 799139 CC1=CC=CC(=C1)C(=O)NC2=NCCS2 1 2.588 2 1 -11.1746876908479 799130 CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2CCCC2)[N+](=O)[O-] 1 3.54 3 4 0 -14.1603593759103 799119 CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.011 3 5 0 -5.12838668061522 799105 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N(CCO)CCO 1 0.451 1 6 0 -6.49507486279386 799090 C1COCCN1CCNC(=O)C2=CC=CC=C2Cl 1 1.528 2 2 0 -9.96669783008287 799062 CC1=CC=CC=C1C(=O)NC2=CC=CC=N2 1 2.489 2 1 -6.32983054805267 799060 COC1=CC=C(C=C1)CC(=O)NC2=CN=CC=C2 1 1.482 2 2 0 -5.61049789849979 798973 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)Cl 1 2.584 1 3 -5.21110209091248 798993 COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)F)C(=O)OC 1 2.531 1 5 -8.28123061882511 799014 CC1=CC=C(C=C1)C(=O)/C=C(\C)/NC2=CC(=CC=C2)O 1 3.801 1 2 2.54020099202597 798959 CC1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)/C=C/C(=O)O 1 4.545 1 3 0.471300632827788 798936 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)OC 1 1.421 2 4 0 -5.87812828299817 798922 C1=CC(=CC=C1CSC2=NC(=O)C=C(N2)N)C#N 1 1.697 4 1 0 -13.0563481331153 798911 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=N2)C 1 3.164 2 2 -2.48935385385171e-002 798904 C1=CC(=C(C(=C1)Cl)Cl)NC(=O)CSC2=NC(=O)C=C(N2)N 1 2.2 4 2 -15.0712200308713 798890 CC1=C(C2=CC=CC=C2N1CC(=O)OC)C#N 1 2.06 2 2 -7.17875699793357 798888 CC(C)C1=CC=CC=C1NC2=CC(=O)CC(C2)(C)C 1 3.898 1 1 -13.8916648703783 798879 C1=CC=C(C(=C1)CC(=O)C2=C(C=C(C=C2)O)O)F 1 2.99 0 3 2.45867413149087 798872 CC1=COC2=C1C=C3C4=C(CCCC4)C(=O)OC3=C2 1 4.123 0 3 -7.62454231316088 798871 COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC=C2 1 2.195 2 5 0 -6.3558334745453 798864 COC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C#N 1 3.824 2 2 -7.02213336190735 798850 CCN1C2=CC=CC=C2N=C1C=NN3C=NN=C3 1 1.521 6 0 0 3.40263012406195 798832 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)C 1 2.412 3 2 -6.24679962130954 798827 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCC4=CC=CC=C43 1 4.106 2 2 -12.1087496565295 798823 CC(=O)NC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OC 1 2.065 1 4 1.91951098811546 798822 CC1=CC(=NC=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 3.7 3 2 -7.87760375387435 798819 C1CCN(C1)C2=NC(=O)N=C(N2)N3CCCC3 1 1.194 5 1 0 -5.77586731331871 798808 COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)CC2=CC=CC=C2 1 2.202 2 5 0 -8.77885938998351 798804 CCC(=O)NC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.534 2 2 -4.94898828827448 798801 CC1=CSC(=N1)NC(=O)CC2=CC=C(C=C2)Br 1 2.677 2 1 -5.4912699017765 798794 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3 1 2.692 2 3 -2.91509313588844 798780 COCC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2 1 2.306 1 2 -10.7929148171269 798778 CC1=NC(=CC=C1)NS(=O)(=O)CC2=CC=CC=C2 1 1.995 2 2 0 -4.37649907378008 798772 C1CCN(C1)S(=O)(=O)CC2=CC=CC=C2 1 1.414 1 2 0 -13.9223136675102 798768 C1CCC(CC1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.11 2 3 -12.6335047683448 798765 COC1=CC=C(C=C1)C2=CC=C(O2)CCC(=O)O 1 2.717 0 4 0.622927430044935 798758 COC(=O)C1CCN(CC1)C(=O)COC2=CC=C(C=C2)Cl 1 2.071 1 4 -5.51284911629461 798734 C=CCN(CC=C)C(=O)CC1=CC=C(C=C1)F 1 2.717 1 1 -12.0664155326319 798730 C1CC(=O)N(C1=O)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.187 1 3 -6.11325994397259 798725 CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC(=C(C=C3)C)C 1 2.978 3 3 -3.96809927056695 798724 COCC(=O)N1CCCC2=CC=CC=C21 1 1.423 1 2 0 -9.72854877590387 798712 COC1=C(C(=CC(=C1)C=NO)Cl)OC 1 2.288 1 3 1.45137387878814 798705 C1=CC(=C(C(=C1)Cl)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)Cl 1 2.648 2 3 -10.4165239056741 798699 C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)C=NO)F 1 4.177 1 2 7.18132080057869 798697 COC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)C#N)[N+](=O)[O-])OC 1 2.355 3 5 0 -11.8925240993454 798681 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32 1 2.302 2 3 -13.7352250969869 798678 COC(=O)C1CCN(CC1)C(=O)C2CCCCC2 1 2.033 1 3 -6.69080937741495 798663 CC1=C(C=C(C=C1)OCC(=O)NC2=CC=CC3=C2CCCC3)C 1 4.935 1 2 -6.63100943522985 798660 C1CCC(CC1)C(=O)NCCC2=CC=C(C=C2)F 1 3.61 1 1 -6.25123170903964 798652 C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)F 1 3.107 1 1 -7.21280282082647 798645 COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=CC=CC=C3 1 4.116 1 2 2.02134897912067e-002 798643 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=NC=C(C=C2)Cl)C 1 3.829 2 2 1.31891861257384 798641 CC(C)(C)C1=CC=C(C=C1)NC(=O)NCC2=CC=CO2 1 3.112 2 2 -4.06839994606829 798633 CC1=CN=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC 1 2.239 3 5 0 -11.4331710294645 798629 CC1=CN=C(C=C1)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.048 3 3 -5.05314154575987 798624 CC(C)C1=CC=C(C=C1)OCC(=O)NC2CCCC2 1 3.469 1 2 -6.73911795217212 798606 CC1=C(SC(=S)N1CCOC2=CC=CC=C2)C(=O)O 1 3.431 1 3 -5.52013811920159 798599 CC(C)CNC(=O)CN1C2=C(CCCC2)C(=N1)C(F)(F)F 1 3.485 3 1 -14.0685679706287 798587 C1CSC2=C1N=C3C=C(NN3C2=O)C4=CC=CC=C4Cl 1 1.506 3 1 0 -1.88064063801118 798577 C1CSC2=C1N=C3C=C(NN3C2=O)C4=CC=CC=C4 1 0.841 3 1 0 -2.20174926183089 798575 C1CC2=C(C1)N=C3C=C(NN3C2=O)C4=CC=CC=C4Cl 1 2.326 3 1 -3.60993455066986 798572 CC(C)C1=CC=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2 1 3.931 1 2 -8.97731844479387 798571 CC1=C(NN2C1=NC3=C(C2=O)CCCC3)C4=CC=CC=C4 1 2.564 3 1 -5.87663540054988 798569 CCOC(=O)CCC1=C(N=C2C=C(NN2C1=O)C3=CC=C(C=C3)F)C 1 1.924 3 3 0 -9.36680214225306 798561 C1=CC(=CC(=C1)[N+](=O)[O-])COC2=CC=C(C=C2)/C=C/3\C(=O)NC(=O)N3 1 2.198 3 5 0 -11.6298048718022 798547 CC1=CC=C(C=C1)NC(=O)CN2C3=C(CCC3)C(=N2)C(F)(F)F 1 3.9 3 1 -6.55714511250594 798544 CC1=CC(=NO1)NC(=O)CN2C3=C(CCC3)C(=N2)C(F)(F)F 1 2.552 4 2 -15.8160942241908 798516 CCC1=CC=C(C=C1)NC(=O)CN2C3=C(CCC3)C(=N2)C(F)(F)F 1 4.356 3 1 -6.79658324828503 798513 CCC1=CC=CC=C1NC(=O)CN2C3=C(CCC3)C(=N2)C(F)(F)F 1 4.356 3 1 -8.6774467860298 798505 CC1=CC(=NO1)NC(=O)CN2C3=C(CCCC3)C(=N2)C(F)(F)F 1 3.009 4 2 -16.1249043450755 798500 C1=CN=C(N=C1)SCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 2.745 4 1 -2.43138919769128 798489 C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=C(O4)Br 1 3.258 1 2 -3.9194001638474 798487 C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C=NO)F 1 4.177 1 2 8.76894144891094 798478 CCC1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3S2 1 3.035 4 1 -16.7595273961577 798472 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C 1 0.983 2 3 0 -9.86550046564367 798469 C1COCCN1C(=O)CC2=CC=C(C=C2)F 1 1.172 1 2 0 -8.64616734744359 798461 CC1=CC(=C(C(=C1)NC(=S)NC(=O)CC2=CC=CC=C2)O)C 1 4.531 2 2 -6.03055347780926 798455 CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN)C=C1 1 2.484 3 3 -6.89116120610211 798454 CCOC1=CC=C(C=C1)N2C(=NN=C2C3=CC=CC=C3)C4=CC=CC=C4 1 5.159 3 1 2.17737147338299 798450 C1=CC(=CC=C1CCNC(=O)CC2=CC=C(C=C2)F)F 1 3.388 1 1 -8.55947628385293 798449 CC1=C(C=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3)C 1 3.19 1 4 -7.64799740462815 798445 CSC1=CC=CC(=C1)NC(=S)NC(=O)C2=CN=CC=C2 1 3.157 3 1 -8.27380974478955 798443 CCOC(=O)CN1C=C(C2=CC=CC=C21)/C=C(/C#N)\C(=O)NC(C)C 1 2.626 3 3 -19.9540339430966 798434 CCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C 1 3.238 3 4 0 -14.4895202313269 798429 CC1=C(C2=CC=CC=C2N1)/C=C(/C#N)\C(=O)NC(C)C 1 2.51 3 1 -15.9449003986205 798427 CCN(CC)C1=CC=C(O1)/C=C(/C#N)\C(=O)NC(C)C 1 2.45 3 2 -21.0353049907314 798423 CC(C)NC(=O)/C(=C/C1=CC=C(O1)N(C)C)/C#N 1 1.753 3 2 0 -19.4771247098569 798409 CCOC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.455 5 4 0 -5.34040192853674 798404 CC1=CC(=NC(=N1)SCC2=C(C=CC=C2Cl)F)C 1 4.132 2 0 -8.5025963641103 798396 C1=CC(=CC(=C1)[N+](=O)[O-])CN(C2=CC(=CC=C2)Cl)C(=O)CCl 1 3.831 2 3 -5.46124909598795 798384 COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SC)OC 1 3.123 1 3 -14.5780742119748 798382 COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCOCC3 1 1.699 2 4 0 -11.371683482038 798363 CC1=C(C(=NN1C(=O)C2=NN(C=C2[N+](=O)[O-])C)C)Cl 1 1.993 5 3 0 -4.75095828607588 798361 CCOC1=C(C=CC(=C1)C=NO)OCC2=CC=CC=C2F 1 3.761 1 3 -2.61767496682688 798359 CC1=C(SC2=C1C(=NC=N2)SCC(=O)N3CCCCC3)C 1 3.007 3 1 -13.2419902881102 798349 CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC=CC=C3OC)N)C 1 2.822 3 2 -8.12902913561496 798346 CC1=CC(=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C)C)N)C 1 3.811 3 1 -5.47995659724072 798344 CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C)C)N)C 1 3.811 3 1 -5.41091186160186 798331 C1CN(CCN1C2=C(C=C(C=C2)C#N)F)C(=O)C3=CC=CS3 1 2.911 3 1 -8.70664537636918 798306 C1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.72 2 3 0 -15.177453898741 798297 CCC(CC)NC(=O)CC1=CC=C(C=C1)F 1 3.052 1 1 -6.94859578688014 798295 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)F 1 1.971 2 3 0 -7.26767396094308 798292 CC1=CC(=C(C=C1)C)C2=NNC(=O)CC2 1 2.021 2 1 -6.97749669317867 798266 C1CC(CCC1C(=O)O)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 1.799 2 6 0 -18.6972086278646 798247 C1=CC=NC(=C1)C2=NOC(=N2)C3=CN=CC=C3 1 1.272 4 1 0 3.66189752793784 798239 CC1=CC2=C(C=C1C)N(C=N2)C(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 4.518 3 2 -4.32372954350861 798238 CC1=CC(=C2C(=C1)C(=CC(=N2)C)NC3=CC=C(C=C3)C(=O)C)C 1 4.561 2 1 1.15388805303679 798237 COCC(=O)N(CC1=CC=CC=C1)C2=CC=CC=N2 1 1.864 2 2 0 -8.61734705050714 821362 CC1(CC(=O)C2=C(C=C(C=C2O1)O)O)C 1 1.586 0 4 0 -2.85693824439869 821350 CC1=NN2C3=CC=CC=C3N(C2=NC1=O)CCN4CCCCC4 1 2.137 5 1 -7.84958646861909 821304 C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=CC=C3O 1 3.417 1 2 -1.99875860466917 821252 COC1=NC(=NC(=N1)NCC2=CN=CC=C2)NC3CCCCC3 1 2.456 6 1 0 -7.72496567249282 821248 COC1=NC(=NC(=N1)NCC2=CC=CO2)NC3CCCCC3 1 2.788 5 2 0 -6.47347627327137 821233 CN(CC1=CC(=C2C=CC=NC2=C1O)[N+](=O)[O-])C3CCCCC3 1 3.6 3 3 -0.508450342124673 821228 CC1=CC(=NN1CC(=O)NN)C 1 -0.73 4 1 0 -11.955414967937 821226 C1CCN(CC1)CC2=CC(=C(C3=C2C=CC=N3)O)Cl 1 3.429 2 1 8.2557866446205 821205 CC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-] 1 2.317 3 3 -11.1665504258954 821204 CC(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-] 1 3.011 5 3 0 -15.2361008615087 821146 CCON1C(=O)C(N(C(=O)C1(C)C)OCC)(C)C 1 0.512 2 4 0 -3.89610701717986 821152 CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC(=NC=N3)NC 1 2.784 5 0 -1.63658010511548 821187 CN(C1=NS(=O)(=O)C2=CC=CC=C21)NC(=O)C3=CC=CC=C3 1 1.659 3 3 0 -8.43835546476093 821186 C1=CC=C(C=C1)CC2=CN=C(C(=N2)C#N)C#N 1 2.125 4 0 -4.85958326242106 821183 C1=CC=C(C=C1)/C=C/C(=O)NNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.921 3 3 0 -6.59260718916559 821178 C1=CC=C(C=C1)CC(=O)NNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.488 3 3 0 -8.28068343615306 798235 CC1=CC=CC2=C1N=C(C=C2NC3=CC=C(C=C3)C(=O)C)C 1 4.075 2 1 1.69208297348206 798232 CN1C2=CC=CC=C2N=C1CN3CCN(CC3)C4=CC=C(C=C4)Cl 1 4.112 4 0 9.71808848953497 798231 CC1=CC2=C(C=C1)N=C(C=C2NC3=CC=C(C=C3)C(=O)C)C 1 4.075 2 1 3.38734950261381 798226 CCOC1=CC=CC=C1NC2=CC(=NC3=C2C=C(C=C3)C)C 1 4.667 2 1 6.01399349348086 798223 CSC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.942 1 3 -13.6498261817722 798222 CC1=CC2=C(C=C1)N=C(C=C2NC3=C(C=CC(=C3)OC)OC)C 1 4.302 2 2 6.94540480042407 798218 CCOC1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)C)C 1 4.667 2 1 7.2415189770783 798160 CC1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 3.519 1 4 -7.08613892826236 798166 C1=CC=C(C=C1)CN(/C=C\2/C(=O)C3=CC=CC=C3S2)C=O 1 2.481 1 2 0.11869198103898 798215 CC1=NC2=CC=CC=C2C(=C1)NC3=C(C=CC(=C3)Cl)OC 1 4.497 2 1 5.93802301794581 798210 CC1=NC2=CC=CC=C2C(=C1)NC3=CC=C(C=C3)NC(=O)C 1 2.969 3 1 0.146158526019781 798201 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC=C2 1 2.886 2 4 -10.1580290374058 798200 CC1=NC2=CC=CC=C2C(=C1)NC3=CC(=CC=C3)Br 1 4.597 2 0 6.74743117716032 798197 CC1=NC2=CC=CC=C2C(=C1)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.743 3 2 2.82124484131617 798146 CC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=NC=C2 1 2.493 2 2 -4.49950859966754 798145 CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 1 5.159 3 1 2.88277001782303 798141 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C 1 3.443 4 1 -13.6382958033516 798124 CC1=NC2=C(C=C(C=C2)NC(=S)NC3=CC=C(C=C3)OC)N=C1C 1 4.379 4 1 -5.22127203607416 798123 CC1=NC2=C(C=C(C=C2)NC(=S)NC3CC3)N=C1C 1 3.031 4 0 -8.97159255206873 798121 CC1=NC2=C(C=C(C=C2)NC(=S)NC3CCCCC3)N=C1C 1 4.399 4 0 -8.81245488606965 798117 CC1=NC2=C(C=C(C=C2)NC(=S)NC(C)C)N=C1C 1 3.267 4 0 -12.0453468387803 798116 C1C(CN2N1C(=O)C=CC2=O)OC(=O)C3=CC=CC=C3 1 0.754 2 4 0 -7.64224111061473 798107 C1COCCN1C(=S)NC2=CC3=NC=CN=C3C=C2 1 2.2 4 1 -11.741300555887 798105 COCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N 1 -0.28 2 4 0 -14.618958127624 798100 C1CCN(C1)C(=S)NC2=CC3=NC=CN=C3C=C2 1 2.973 4 0 -9.81853559194333 798094 COCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 0.171 3 4 0 -11.653500750109 798092 CC1=NC(=NC=C1)SCC(=O)N2CCC3=CC=CC=C3C2 1 2.32 3 1 -16.4405154728079 798084 CCOC(=O)N1CCN(CC1)C(=O)NC2=CC3=NC=CN=C3C=C2 1 0.825 5 3 0 -5.23678092643561 798083 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC4=C(C=C3)OCO4 1 2.847 2 3 -1.9631240639476 798081 CCOC(=O)C1CCN(CC1)C(=O)NC2=CC3=NC=CN=C3C=C2 1 1.292 4 3 0 -8.13079275252782 798077 CC(C)N(C(C)C)C(=O)NC1=CC2=NC=CN=C2C=C1 1 2.068 4 1 -2.94794707155673 798070 CCOC1=CC=C(C=C1)NC(=O)NC2=CC3=NC=CN=C3C=C2 1 2.319 4 2 -2.9811069259503 798068 COC1=CC=C(C=C1)NC(=O)NC2=CC3=NC=CN=C3C=C2 1 1.97 4 2 0 -2.21488377424227 798048 CCN(CC)C(=O)CSC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] 1 3.171 2 3 -9.92126995341831 798047 C1=CC=C(C=C1)OC(=O)C2=CC3=NSN=C3C=C2 1 3.39 2 2 -3.2769076727444 798037 CC1=CC(=C(O1)C)C(=O)NC2=CC=C(C=C2)C(=O)O 1 1.639 1 4 0 -7.9694835750631 798035 CC1=CC(=C(O1)C)C(=O)NC2=CC=CC(=C2)C(=O)O 1 1.639 1 4 0 -8.04971618394616 798026 CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=NO 1 4.458 1 2 8.05706442344568 798024 C1CCN(CC1)C2=CC=C(O2)/C=C(\C#N)/C(=O)N 1 1.738 3 2 0 -7.21740890625552 798022 CCC1CCC2(CC1)NNC(=S)NN2 1 1.547 4 0 0 -3.92476262420246 798020 C1C2CC3CC1CC(C2)C34NNC(=S)NN4 1 1.497 4 0 0 -0.24339420283097 798002 C1CCC(CC1)C(=O)N2CCCC3=CC=CC=C32 1 3.813 1 1 -7.12703594988015 797985 C1=CC=C(C=C1)CNS(=O)(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.428 2 4 0 -6.664047464235 797976 C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)Cl 1 4.846 1 2 -4.66566998077988 797948 C1=CC(=CC=C1CC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])F 1 2.954 2 3 -6.51167782277847 797935 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC3=NSN=C3C=C2)F 1 2.651 3 2 -0.644674159270434 797933 CC1(CC(=CC(=O)C1)NC2=CC(=CC(=C2)OC)OC)C 1 2.67 1 3 -15.9455066019847 797923 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CC3=CC=C(C=C3)F 1 3.319 2 1 -3.63421231146596 797921 C1=CC(=CC=C1CCNC(=O)CC2=CC=C(C=C2)Br)F 1 3.931 1 1 -7.36781839615 797915 CC(=O)NC1=CC=CC(=C1)C2=NN=C(O2)C3=CC=CC=C3 1 2.174 3 2 0.605797512866908 797908 CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=CC=C2)C 1 2.601 4 1 -10.8473151246667 797893 CC1=C(C=C(C=C1)OCC(=O)NC2CCCCCC2)C 1 4.16 1 2 -7.56295814815754 797886 C1CCC(CC1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3 1 4.254 2 1 -4.72311690522635 797867 CCOC1=C(C=C(C=C1)Cl)C=NO 1 2.653 1 2 6.63868909799797 797861 C1CCC2=NN3C4=CC=CC=C4C(=O)OC3=C2C1 1 3.303 2 2 1.94801174963259 797834 CN1C2=CC=CC=C2N=C1SCC3=C(C=C(C=C3)C#N)Cl 1 4.761 3 0 -6.73172762803449 797821 CC(=O)N(C1=NC=C2C3=CC=CC=C3NC2=C1C#N)C(=O)C 1 1.701 4 2 0 -3.92828126796837 797814 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=CN=CC=C2 1 1.882 2 4 0 -7.68288306940815 797798 CC(C)C1=C2CCCCC2=C(C(=N1)NCC3=CC=CC=C3)C#N 1 4.942 3 0 -3.64228899659307 797782 CC1=C(C=CC(=C1)NC(=O)COC)Br 1 1.921 1 2 0 -5.44767457809463 797776 CCOC1=CC2=C(C=C1)NC(=C(C2=O)CN3CCOCC3)C 1 1.78 2 3 0 -7.91914267501977 797772 CC1=CC=C(C=C1)C2=CC=C(O2)CCC(=O)O 1 3.22 0 3 1.03589363918908 797771 COC(=O)CSC1=NN=C(S1)SCC2=CC=CC=C2 1 3.219 2 2 -16.4441982372098 797744 CC1=C(C=CC=C1Cl)NC(=O)C2=NC=NN2 1 1.931 4 1 0 -3.95026783157094 797725 CC1=CSC(=N1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.13 2 3 -6.10152898196137 797691 CC1=C(C(=O)N=C(N1)SCC(=C)C)CC2=CC=CC=C2 1 3.966 2 1 -16.1155043912499 797627 CC1=CC=CC=C1NC(=S)NCC2=CC=CS2 1 4.321 2 0 -11.4138804458374 797642 CC1=NC2=C(C=C(C=C2)NC(=S)N3CCCC3)N=C1C 1 3.538 4 0 -11.6574003040281 797648 CC1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C)C 1 4.246 4 0 -14.7009784221006 797675 C1CC2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)N4CCOCC4)N 1 1.45 3 2 0 -15.4218766935011 797672 C1CCCC(CC1)NC(=O)CNC(=O)OCC2=CC=CC=C2 1 2.974 2 3 -11.6392849916867 797670 CCOC(=O)C1=C(N(C(=O)C1)C2CCCCC2)C 1 1.985 1 3 0 -11.4152323178817 797661 CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCOCC2 1 2.799 1 2 -3.78200721314666 797659 C1=CC(=CN=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl 1 2.562 4 1 -11.0806618969728 797624 CC1=CC=CC=C1NC(=S)NCC2=CC=C(C=C2)Cl 1 5.246 2 0 -6.64623568654867 797612 CCOC(=O)COC1=CC=CC=C1C=NO 1 1.696 1 4 0 -3.12541020027429 797590 CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C=C(C=C3)OC)OC 1 3.663 1 4 -1.22370968903629 797579 CCOC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(F)(F)F 1 4.357 1 2 -5.1358629059671 797576 C1CCN(C1)C(=S)NC2=CC=C(C=C2)Br 1 4.257 2 0 -9.89992911528345 797571 CC1=CC=CC=C1C(=O)NC(=S)NCCC2=CC=CC=C2 1 4.302 2 1 -12.9177706887906 797569 CC1=CC=C(C=C1)OC(=O)/C=C/C2=CC=C(C=C2)OC 1 4.199 0 3 -3.69499434920237 797565 C1=CN=CC=C1CCN2C(=S)OC(=N2)C3=CC=NC=C3 1 2.352 4 1 0.314607428075514 797560 COC1=CC=C(C=C1)S(=O)(=O)N2CCNCC2 1 0.351 2 3 0 -15.7349275002574 797559 CCN1C2=CC=CC=C2N=C1NC(=O)C3CCCCC3 1 3.688 3 1 -1.28882700257133 797551 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)/C=C/C(=O)O 1 1.894 0 4 0 -0.757722797931809 797526 C1=CC=C2C(=C1)NC(=N2)C(=S)NC3=CC=C(C=C3)Cl 1 4.572 3 0 4.52065434244851 797524 CN(C)C1=CC=C(C=C1)C(=S)N2CCNCC2 1 2.251 3 0 -10.1608662723072 797522 CC1=CC=CC=C1CSC2=NN=NN2C3=CC=C(C=C3)C(=O)N 1 2.872 5 1 -22.4952680195102 797519 CC1=CC=CC=C1C(=O)NC(=S)NCCN2CCOCC2 1 2.224 3 2 -14.9265886020509 797515 C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.389 3 3 -13.4388506618266 797507 C1COCCN1C2=CS(=O)(=O)C3=CC=CC=C32 1 0.503 1 3 0 -3.54512502663003 797499 C1CCC2=C(C1)C3=C(O2)CCCC3=NO 1 2.775 1 2 -5.17578059328176 797494 CN(C)C(=S)C1=NC2=CC=CC=C2C=C1 1 3.282 2 0 -2.55265236949719 797491 CCOC1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=CC=C2 1 3.421 1 2 -7.33334953909546 797484 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC(=CC=C3)Cl 1 4.73 4 0 -4.8099819051838 797479 C1=CC=C(C=C1)N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4C3=O 1 2.463 5 2 0 -15.1379528645869 797467 CCOC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC(=C2)C(=O)C 1 3.154 1 3 -7.3976230698394 797462 CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)OC 1 3.157 0 5 -10.9547778977831 797459 C1CCN(C1)C(=S)NC(=O)C2=CC=C(C=C2)Cl 1 3.573 2 1 -9.82248619967636 797456 COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3 1 4.572 3 1 -6.94042381574271 797446 C1CCC(CC1)C(=O)NC(=S)NC2=CC=CC=C2 1 4.228 2 1 -5.08561532588259 797439 CC1=CC=C(C=C1)C(=O)NC(=S)N2CCCC2 1 3.394 2 1 -11.6444848902632 797425 C1=CC=C2C(=C1)C=CC=C2NC(=S)NCC3=CN=CC=C3 1 3.853 3 0 -9.50017298318357 797424 COC1=CC=CC=C1NC(=S)NCC2=CC=C(C=C2)F 1 4.284 2 1 -8.72337932323323 797423 CC(C)CN1C2=C(C(=O)OC3=CC=CC=C32)N=N1 1 3.044 3 2 -8.66653457434417 797405 CC1=CC=CC=C1NC(=S)N2CCCC2 1 3.995 2 0 -11.2694552850022 797401 CC1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2Br 1 4.365 2 1 -13.681880671734 797391 COC1=CC=CC(=C1)NC(=S)N2CCCC2 1 3.492 2 1 -10.3215288752253 797388 CC1=CC=C(C=C1)NC(=S)C2=CC=C(C=C2)N(C)C 1 4.634 2 0 -2.26587033764011 797386 COC1=CC=CC(=C1)NC(=S)NCCN2CCOCC2 1 2.322 3 2 -10.4924276378024 797378 CC1=CC=C(C=C1)SC(=O)COC2=CC=C(C=C2)OC 1 4.125 0 3 1.30416954928531 797376 COC1=CC=CC=C1NC(=S)C2=CC=CC=C2 1 3.969 1 1 -3.46225964823164 797375 CC1=C(C(=CC=C1)C)NC(=O)CSC(=S)N2CCCC2 1 4.274 2 1 -12.0634959058313 797374 CC1=C(C=CC(=C1O)C(=O)COC2=CC=C(C=C2)F)OC 1 3.502 0 4 3.22023106273557 797372 COC1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=CC=CC=C3 1 4.572 3 1 -8.92639096757021 797352 CC1=CN=C(C=C1)NC(=O)C2=NC3=CC=CC=C3C=C2 1 3.104 3 1 -8.03238947660625 797339 C1COCCN1CCNC(=S)NC(=O)C2=CC=C(C=C2)F 1 1.943 3 2 0 -11.9126847113559 797333 CCC1=C(C=C(C(=C1)C(=O)CC2=CC=C(C=C2)F)O)O 1 3.932 0 3 7.47794187969817 797304 COC(=O)C1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 1 1.966 1 4 0 -9.3686918219702 797294 CC1=C(OC2=CC=CC=C12)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.47 1 4 -0.119659398705349 797268 C1=CC(=CC=C1NC(=S)NCC2=CC=NC=C2)Br 1 3.693 3 0 -7.06664694590296 797262 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CN3C=CC(=CC3=N2)C 1 2.818 3 2 -8.61763174519951 797259 CCN1C2=CC=CC=C2N=C1NCC3=CC=CC=C3Cl 1 4.026 3 0 -3.39493343895715 797253 CN(C)C1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3C=C2 1 4.763 3 0 -4.27800894809567 797247 C1CCC2(CC1)NC3=CC=CC4=C3C(=CC=C4)N2 1 3.664 2 0 0.494403959430433 797232 COC1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=CC=C3)C#N 1 3.46 3 2 -0.187771442568126 797219 CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 3.041 2 2 -3.88096613684589 797213 CC1=CC=CC=C1NC(=S)NC(=O)C2CCCCC2 1 4.714 2 1 -6.48921412403242 797205 CCN1C(=C2C(=O)C3=CC=CC=C3C2=O)C=CC4=CC=CC=C41 1 3.666 1 2 1.75651744906029 797199 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=CN=C3)CC4=CC=CC=C4 1 1.694 6 2 0 -14.8292233497563 797191 COC1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3C=C2 1 4.584 2 1 -2.02968877862716 797185 CC1(CC(CC(N1)(C)C)NC(=S)NC2=CC(=CC=C2)OC)C 1 3.235 3 1 -12.8315457749257 797184 CC1=CC=CC=C1NC(=S)NCC2=CC3=C(C=C2)OCO3 1 4.35 2 2 -10.1634883143606 797167 CC1(C(=CC2=C(O1)C=CC3=C2OC(=O)C=C3)OC)C 1 2.375 0 4 -3.2693276219181 797154 CC(C)(C)C1=CC=C(C=C1)SC2=NC(=NN2C)[N+](=O)[O-] 1 4.271 4 2 3.04465880231978 797148 CCOC1=CC=CC=C1NC(=S)NC2CCCCC2 1 4.703 2 1 -10.7408482997765 797143 CCOC1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3C=C2 1 4.933 2 1 -2.79591193033518 797142 COC1=CC=C(C=C1)NC(=S)NC(=O)C2CCCCC2 1 4.211 2 2 -5.34192739665338 797119 CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)OC 1 5.147 3 1 -4.87507970233233 797118 CC1=CC(=C(C=C1)OC)NC(=O)CCCC2=CC=C(C=C2)OC 1 4.015 1 3 -8.48641861864373 797115 CC1=CC2=NC(=C(C=C2C=C1)C)N3CCN(CC3)C4=CC=C(C=C4)F 1 5.524 3 0 9.30131041529722 797113 CCOC1=CC=C(C=C1)/C=C/C(=O)NC2CCCCC2 1 3.696 1 2 -8.53978403398027 797098 COC(=O)C1=C(SCC1=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.036 1 3 -1.68703108195745 797089 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC=CC=C3Cl 1 4.73 4 0 -6.0687001091918 797087 COC1=CC=CC=C1NC(=S)NCC2=CC=C(C=C2)Cl 1 4.743 2 1 -7.61325765811166 797071 CCNC1=NC(=NC(=N1)SC)OC2=CC=C(C=C2)C(=O)OCC 1 3.5 4 3 0 -7.47852319684698 797066 C1=CC=C(C=C1)CN2C3=CC=CC=C3C=N2 1 3.263 2 0 -2.78356540958398 797063 COC1=CC=CC=C1NC(=S)NCC2=CC=CC=C2 1 4.079 2 1 -10.4184842504905 797062 CC1=C(NC(=O)C(=C1)C(=O)NCC2=CC=CC=C2)C 1 1.388 2 2 0 -13.5705555401336 797061 CN1C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)Br 1 3.436 2 1 -3.86133862707491 797060 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C)C(=O)N 1 2.292 2 3 -7.75243507996669 797057 C1=CC=C2C(=C1)N=CN2CCOC3=CC=C(C=C3)[N+](=O)[O-] 1 3.078 3 3 -5.50015750882774 797055 CN1C2=CC=CC=C2N=C1CNC3CCCCC3 1 3.14 3 0 3.79542295818519 797053 CC(=O)C1=NC2=CC=CC=C2N1CC3=CC=CC=C3 1 3.281 2 1 -5.13758104336004 797045 CC1=CC=C(C=C1)N(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.458 1 3 -1.33014850709311 797034 CC1=CC=C(C=C1)NCC2=NC3=CC=CC=C3N2C 1 3.623 3 0 0.950155631322852 797033 CN1C2=CC=CC=C2N=C1CNC3=CC=C(C=C3)OC 1 3.12 3 1 0.537189422178713 797032 C1CN2C(=O)C3=CC=CC=C3N(C2=N1)CC4=CC=C(C=C4)Cl 1 3.303 3 1 -1.71897036793156 797030 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OC)Cl 1 2.164 1 4 -12.4712195660655 797020 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)N 1 -0.167 4 2 0 -12.978230743003 797012 CC1=NC2=C(C=C(C=C2)OC)C(=C1)NC3=CC=CC(=C3)C(=O)O 1 3.462 2 3 4.56503893567461 796954 C1=CC=C(C=C1)P(=O)(CC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3 1 4.614 0 3 -5.53869090515601 796955 C1=CC=C(C=C1)CP(=O)(CC2=CC=CC=C2)CO 1 2.857 0 2 -0.475240257638752 796963 C1CC(C1)(C(=O)O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 3.897 0 3 -3.95235865385118 796965 CCOP(=O)(C)C1(CC1)C(=O)OCC2=CC=CC=C2 1 1.848 0 4 0 -1.79278393866133 796967 CCNC(=O)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 2.809 1 2 -8.90411465342955 796971 C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.758 2 4 0 -15.4413412787738 796948 CCOC(=O)C1=CC(=CC=C1)P(=O)(C)C 1 2.028 0 3 -7.55410953524152 796946 CCOC(=O)C1=CC(=CC=C1)P(=O)(C(C)(C)C)C(C)(C)C 1 3.891 0 3 -8.68963159433436 796942 COC(=O)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 3.108 0 3 -7.29638748253646 796941 CCOC(=O)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 3.456 0 3 -7.53702681219076 796940 C=CP(=O)(C1=CC=CC=C1)O 1 1.271 0 2 0 -4.96810091871974 796932 C1=CC=C(C=C1)P(=O)(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 1 4.878 1 3 -4.7605347341669 796931 COC1=CC=C(C=C1)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 4.968 0 2 -3.07910315595381 796925 CP(=O)(C)CCC(=O)O 1 -2.3e-002 0 3 0 -5.1139593867851 796922 CCCP(=O)(CC(=O)O)C1=CC=CC=C1 1 2.178 0 3 -6.58289939181225 796918 C1=CC=C(C=C1)P(=O)(CC2=CC=CC=C2O)C3=CC=CC=C3 1 4.742 0 2 -0.2245004288754 796917 COC1=CC=CC=C1CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 4.968 0 2 -4.85547435562193 796914 CN(C)CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 3.539 1 1 -3.42541666818984 796913 CP(=O)(C)CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 3.467 0 2 -2.91948141926215 796903 C/C=C/C1=CC(=C(C=C1)OC)OC(=O)C 1 2.535 0 3 -3.58745164879391 796895 C1CN(CCN1CC2=CC=CC=C2)C(=O)NC3=CC=CC4=CC=CC=C43 1 3.601 3 1 -2.48873141597429 796892 C1CN(CC=C1)C(=O)NC2=CC=CC3=CC=CC=C32 1 2.668 2 1 -4.50674950395562 796891 C1CN(CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.088 2 1 -2.1359585582174 796821 C1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 5.454 1 1 3.32085587406288 796808 C1=CC=C(C=C1)C(=O)NCC2=C(C=CC3=CC=CC=C32)O 1 3.288 1 2 -1.90841482006584 796807 CCC(=O)OC1=C(C2=CC=CC=C2C=C1)CNC(=O)C3=CC=CC=C3 1 3.964 1 3 -9.90493755842674 796777 CC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(O3)Br 1 3.769 2 1 5.34474319479174 796774 C1CCC2=C(C1)C3=C(N=CN=C3S2)N4C=CN=C4 1 2.704 4 0 -7.95355540245556 796756 CN1CCCN(CC1)CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-] 1 1.559 3 4 0 4.3122714617108 796731 CC1=C(C(=CC=C1)C)NC(=S)NC2CCCCC2 1 5.343 2 0 -8.07572714316233 796726 C1=CC=C(C=C1)CC2=CC(=CN=C2)O 1 2.412 1 1 1.5428898253919 796709 C1=COC(=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl 1 3.108 3 2 -8.19164868859104 796703 CC1=C(C(=NN1C2=CC=CC=C2)C)[N+](=O)[O-] 1 2.379 3 2 0.427412401608733 796690 C1=CC2=C(C(=C1)OCC(=O)NN)N=CC=C2 1 0.361 3 2 0 -8.84832447887045 796665 C1=CC(=CN=C1)C=NNC(=O)C2=CC=CO2 1 0.927 3 2 0 -4.82241589119099 796663 C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CN=CC=C2 1 1.235 3 2 0 -1.64738396399103 796661 CCOC(=O)NN=CC1=CN=CC=C1 1 0.86 3 2 0 -5.90602599450896 796660 CC1=C(C(=O)OC2=CC(=C(C(=C12)OC)OC)OC)Br 1 2.749 0 5 -3.99429168352366 796655 CCN(CC)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 4.219 1 1 -4.07658618266851 796653 CCOC(OCC)P(=O)(C(C)C)C(C)C 1 2.91 0 3 -2.23448371974015 796649 COC1=CC=C(C=C1)C(=O)NCC(=O)C2=CC=CC=C2 1 2.277 1 3 -8.35584350889805 796643 C1=CC=C(C=C1)C(=O)C2=CC(=CN=C2)Br 1 2.832 1 1 -2.53020389045064 796641 C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)OC(CCl)CCl 1 3.17 1 3 -1.65028832900815 796637 CCOC1=C(C2=C(C=C1)C(=CC(=O)O2)C)OCC 1 3.011 0 4 -6.10226985445378 796636 COC(=O)C1=C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC 1 4.005 2 4 -1.11965205472695 796632 CCN(CC)C(=O)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 3.364 1 2 -9.92278834972476 796608 C1=CC=C(C=C1)N2C(=O)C(=C(C(=O)N2)Cl)Cl 1 1.51 2 2 0 0.508130597538898 796599 CCNC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C 1 2.374 5 2 0 -14.5174350502957 796586 CCCN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)C)C 1 1.415 5 3 0 -16.7627412224812 796581 CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)C3=CC=CC=C3 1 4.585 1 2 -6.96187840082898 796578 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F 1 1.613 1 2 0 -11.9559490407055 796559 C1CSC(=N1)NC(=O)C2=CC3=CC=CC=C3O2 1 2.697 2 2 -6.13023453136949 796555 CC1=CC(=NC(=N1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C 1 3.451 3 1 -11.1673145811399 796517 COC1=C(C=C(C=C1)CC2=CC(=C(C=C2)OC)N)N 1 2.278 2 2 -0.903879077074124 796506 CC1=C(C(=CC=C1)C)N2C(=O)C(=C(C2=O)Cl)N3CCCC3 1 2.961 2 2 -2.26802864674498 796493 C1C2(CN3CN1CN(C2)C3)N=CC4=CC=CS4 1 1.507 4 0 0 -3.48845811484016 796482 CCC1=C(N=C(NC1=O)SCC(=O)NC2=CC=CC=C2C)O 1 2.919 3 3 -19.0084556254011 796476 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.787 1 3 -3.11583588693412 796473 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 2.194 1 4 -13.2422140092079 796471 CC1=CC(=C(C(=C1)C)NC(=O)CN2CCN(CC2)C)C 1 2.372 3 1 -3.90200302013592 796455 COC1=CC(=CC(=C1)CN2CCCCCC2)OC 1 3.244 1 2 -0.245366724127076 796453 CN(CC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.386 2 3 -6.91564098104768 796448 CSC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=NC=C3 1 2.176 3 1 1.20118579198388 796442 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.798 3 4 0 -14.5435588113442 796436 CC1=C(C(=CC=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C 1 3.001 2 4 -1.89973497609032 796420 C1=CSC(=C1)C2=CC=C(S2)C=NC3=CC=C(C=C3)O 1 4.901 1 1 8.09967493925936 796412 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O 1 1.786 1 4 0 -14.5753759988255 796371 COC1=CC=C(C=C1)N2C(=CC(=O)N=C2SC)O 1 2.659 2 3 -4.69138275391592 796354 CCC1=C(N=C(NC1=O)SCC(=O)N(CC)CC)O 1 1.759 3 3 0 -20.7811365319754 796350 CC(C)(C)N1C(=O)C(=C(C=N1)OC)Cl 1 0.888 2 2 0 -3.16458850943821 796324 CC1=C(C2=CC=CC=C2N1)CCC(=O)N 1 1.762 2 1 0 -2.48305737180459 796319 CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3 1 5.163 3 0 -4.8208109148552 796318 C1COCCN1C2=C(C(=O)N(C2=O)C3=CC=CC=C3Cl)Cl 1 1.88 2 3 0 -4.00044865968822 796310 COC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F 1 4.866 3 1 -7.60909121684843 796307 CC1=CC=CC(=C1)C(=O)NCC2=CC=CO2 1 2.289 1 2 -9.00332746243921 796303 CCNC(=S)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.695 3 0 -15.0933219504761 796302 CNC(=S)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.346 3 0 -13.7821929868341 796268 CCOC1=CC=C(C=C1)CC(C(=O)N)C(=O)N 1 0.634 2 3 0 -1.0111762910781 796266 C1CCC(C1)(C2=CC=CC=C2)C(=O)NC3=CC=CC=N3 1 3.458 2 1 -6.51716555530942 796265 C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC=C3)C#N 1 4.814 3 1 -23.2471856153065 796248 CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3 1 2.175 2 3 -11.6677811442319 796244 CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3 1 1.843 3 2 0 -12.0371838700987 796241 CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3CCCC3 1 2.812 2 2 -7.29416896293083 796221 COC1=CC=CC=C1NC(=O)CSC2=NN=CN2N 1 0.405 5 2 0 -17.0744417501095 796220 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=CN2N)OC 1 0.389 5 3 0 -18.1114053067353 796217 CC1=C(C(=NN1CC(=O)NCC2=CC=CO2)[N+](=O)[O-])Cl 1 1.548 4 4 0 -17.1868492202777 796212 CC1=CC(=NC(=N1)C2=CC=CC=C2)OC3=CC=CC=C3 1 4.053 2 1 4.41054970627216 796200 C1=CC(=CC=C1C2=CN=C(N=C2)N)[N+](=O)[O-] 1 1.238 4 2 0 2.08478759282191 796197 COC1=CC=C(C=C1)C2=NC3=C(N2O)CCC4=[N+](ON=C43)[O-] 1 -2.533 4 4 0 1.46839994626042 796176 COC1=CC=C(C=C1)C2=NC3=C(N2O)CCCC3=NO 1 0.387 3 3 0 1.34587182879188 796173 CCOC1=CC(=C(C=C1NC(=O)CCl)OCC)NC(=O)CCl 1 1.8 2 4 0 -8.65882285392347 796149 CC1(C(=[N+](CN1O)[O-])C2=CC=CC=C2)C 1 0.909 2 2 0 0.757058096064306 796139 CC(C)(C=NO)/[N+](=C/C1=CC=C(C=C1)N(C)C)/[O-] 1 1.449 3 2 0 -0.196966192776454 796100 C1=CC(=CC(=C1)F)NC2=NC=NC(=C2)N3C=CC=N3 1 2.474 5 0 5.14408742579996 796094 CC1=CC(=C(C=C1)NC2=NC=NC(=C2)N3C=CC=N3)C 1 3.241 5 0 1.75334944540841 796085 C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC=CC=C4 1 5.717 2 1 5.89472597606188 796082 CN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.699 3 0 3.85509030419701 796077 CCOC(=O)C1=CN=C(N=C1N2CCOCC2)C3=CC=CC=C3 1 1.644 3 3 0 -0.768745819238563 796071 C1COCCN1C2=NC(=NC(=C2)C(F)(F)F)C3=CC=CC=C3 1 2.811 3 1 3.50556789481619 796069 CC1=CC=C(C=C1)C2=CC(=O)N=C(N2)NCC3=CC=CC=C3 1 3.066 3 1 -4.37731189892326 796066 CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.941 2 5 0 -8.76146463134406 796058 C1CCC2=C(C1)C=CC=C2NC(=O)COC3=CC=CC=C3 1 3.963 1 2 -7.03072568855773 796031 C1=CC=C(C=C1)C(=O)CNC(=O)C2=CC=C(C=C2)F 1 2.499 1 2 -7.23100027428866 796014 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)CC2=CC=CC=C2OC 1 3.29 2 3 -7.77472815354228 796001 COC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2OC 1 2.588 1 3 -9.70171483607463 795996 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2 1 1.66 2 2 0 -4.29077791018149 795981 CC1=CC=CC=C1OCC(=O)NCC2=CC=CC=C2OC 1 2.926 1 3 -10.5162694092228 795980 C1=CC=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.501 2 3 -9.88414493751944 795974 CC1=C(C=CC=C1Cl)NC(=O)C2CCCCC2 1 4.227 1 1 2.44021881979091 795962 C1=CC2=C(C(=C1)S(=O)(=O)NCC3=CN=CC=C3)N=CC=C2 1 1.36 3 2 0 -8.69002630832964 795958 C1=CC=C2C=C(C(=CC2=C1)C(=O)NN=CC3=CC=NC=C3)O 1 2.199 3 2 0.710760250098223 795956 CC1=NC(=CC=C1)NC(=O)COC2=CC=C(C=C2)Br 1 2.869 2 2 -3.58830592173492 795954 CCOC(=O)C1=CC(=NN1)C2=CC3=C(C=C2)OCCO3 1 2.502 2 4 -2.84661953126357 795953 C1CC[C@@H]([C@@H](C1)C(=O)NCCC2=CC=CC=C2)C(=O)O 1 2.589 1 3 -8.71430840065495 795944 CC1=C(C(=CC=C1)NC(=O)CCC2=CC=CC=C2)C 1 4.078 1 1 -6.34171408533463 795936 COC1=CC=C(C=C1)CC(=O)NCC2=CC=CC=C2 1 2.64 1 2 -9.98284156827982 795928 COC1=CC=CC=C1CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.134 1 2 -13.7160916671645 795920 COC1=CC=CC=C1CNC(=O)CC2=CC=CC=C2 1 2.64 1 2 -12.1303398428616 795917 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=NC=C2 1 2.121 3 2 -1.81902543164696 795916 CC1=C(N(C2=CC=CC=C12)C(=O)CSC3=NC=NN3)C 1 3.104 4 1 -6.84309975486221 795907 CC1=C(C(=CC=C1)NC(=O)C2=CC=CO2)C 1 2.982 1 2 -2.13961215206361 795881 CCC1=CC=C(C=C1)CNCC2=CN=CC=C2 1 2.743 2 0 -0.588490997233342 795873 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)CC2=CC=CC=C2 1 3.306 2 2 -5.88059086164546 795871 CC1=NC(=CC=C1)NC(=O)COC2=CC=CC=C2C 1 2.607 2 2 -4.16247842853509 795870 CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3 1 1.719 3 3 0 -6.99427920063266 795865 C1CN(CCC1C(=O)N)CC2=NC(=O)C3=CC=CC=C3N2 1 0.309 4 2 0 -4.44974187365411 795863 C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4S3 1 3.512 3 1 -6.29933486317473 795859 COC1=CC(=C(C=C1)C(=O)NC2=CC3=CC=CC=C3C=C2)OC 1 3.49 1 3 -2.15245620356721 795858 C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCl 1 3.018 2 1 -4.0533632078295 795855 C1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC=CC=C2 1 3.41 1 1 -7.08720807286447 795844 CC1=CC=CC=C1C(=O)NNC(=O)CC2=CC=CC=C2 1 2.392 2 2 -12.3993059903232 795832 C1=CC=C(C=C1)/C=C/C(=O)NNC(=O)C2=CC(=CC=C2)Cl 1 3.003 2 2 -3.12064660515457 795805 CC1=C(C=C(C=C1)Cl)NC(=O)COC2=CC=CC=C2 1 3.6 1 2 -4.42920975907272 795782 CC1=NC(=CC=C1)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 2.287 2 3 -8.57855739408858 795779 CCC(CC)C(=O)NCC1=CC=CC=C1OC 1 2.982 1 2 -10.0610869494966 795774 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.832 2 2 -8.74148462929944 795771 C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2F 1 2.655 1 2 -6.2771761059738 795769 COC1=CC=C(C=C1)CC(=O)NNC(=O)COC2=CC=C(C=C2)Cl 1 2.389 2 4 -5.68598990586893 795768 COC1=CC(=C(C=C1)C(=O)NC2=CC=CC3=C2CCCC3)OC 1 4.095 1 3 -6.07267171263375 795763 COC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCC2 1 1.638 2 3 0 -5.68588091539781 795748 C1=CC(=CC(=C1)CNC(=O)C2=CC=CO2)CNC(=O)C3=CC=CO3 1 2.203 2 4 -7.79885638628042 795742 C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)[N+](=O)[O-] 1 1.365 3 3 0 -13.9304781235268 795728 COC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.138 2 5 0 -2.75962820254083 795722 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 3.394 1 2 -3.6910499167356 795718 C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 3.778 1 2 -2.94923143740694 795706 COC(=O)CN1C2=CC=CC=C2C3=NC4=CC=CC=C4N=C31 1 3.328 3 2 -7.38883004048268 795697 C1=CC=C(C=C1)C(=O)CNC(=O)C2=CC=CC=C2Cl 1 2.958 1 2 -9.14738361511242 795681 CC1=CC=C(N1C2=CC=C(C=C2)N3C=NN=N3)C 1 1.884 5 0 0 -14.2398777417146 795670 CCN(CC)C(=O)NC1=CC2=CC=CC=C2N=C1 1 2.036 3 1 -1.56616261334598 795668 C1COC2=C(O1)C=CC(=C2)NC(=O)CCCC3=CC=CC=C3 1 3.347 1 3 -11.0626742018319 795666 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=CS3 1 3.363 1 3 -11.7049334803056 795665 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=CC(=O)OC4=CC=CC=C43 1 1.804 3 3 0 -11.4863612966924 795660 CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3OC 1 5.147 3 1 -6.75347184333116 795657 COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)F 1 4.866 3 1 -4.90809850321958 795655 COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)F 1 4.866 3 1 -6.05084823019621 795651 C1CN(CCC1C(=O)N)C(=S)NCCC2=CC=CC=C2 1 2.572 3 1 -12.3526729871002 795649 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N 1 2.726 3 3 -15.8068007923964 795648 C1CCC2=C(C1)C=CC=C2NC(=O)C3=CC=C(C=C3)F 1 4.333 1 1 -5.32187207025165 795641 C1=CC(=CC(=C1)Br)C(=O)NNC(=O)C2=CC=CO2 1 2.015 2 3 -4.6632231518486 795639 COC1=CC(=CC(=C1)C(=O)NC2=CC=CC3=C2CCCC3)OC 1 4.095 1 3 -8.81670954883242 795637 C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)C3=CC=CO3 1 4.089 0 5 -4.75689668996887 795634 CC1=C(C=C(C=C1)Cl)NC(=O)COC 1 1.837 1 2 0 -5.17109031986435 795627 C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)Br 1 2.219 2 1 -9.40156739230428 795624 C1CCC2=C(C1)C=CC=C2NC(=O)C3=CC(=CC=C3)F 1 4.333 1 1 -5.63298311660697 795623 COC1=CC=C(C=C1)C(=O)NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.784 3 5 0 -10.1512741024785 795616 CC(=O)C1=CC=C(C=C1)OC(=O)/C=C/C2=CC=CC=C2 1 3.469 0 3 -7.0233779167397 795594 C1CCC2=C(C1)C=CC=C2NC(=O)C3=CC=CC=C3Br 1 4.876 1 1 -5.4579316020475 795587 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)CCC2=CC=CC=C2 1 3.762 2 2 -8.33109891444546 795584 COC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCCC2 1 2.094 2 3 -6.04034942956589 795571 COC1=CC=CC=C1CNC(=O)C2=CC=CC=C2OC 1 2.588 1 3 -11.2152428149353 795569 COC1=CC=CC(=C1)C(=O)NN=C2CCCC2 1 1.935 2 2 0 -9.1199727954532 795568 COC1=CC=CC=C1C(=O)NC2=CC=CC3=C2CCCC3 1 4.111 1 2 -7.89744967878541 795550 COC1=CC=C(C=C1)C(=O)N2CCCC2 1 1.688 1 2 0 -4.89549371176734 795532 CC1=CC=C(C=C1)NC(=O)CC2=CNC3=CC=CC=C32 1 3.429 2 1 -6.35679807445923 795528 COC1=CC=C(C=C1)C(=O)NNS(=O)(=O)C2=CC=CC=C2 1 1.558 2 4 0 -9.70138785157271 795526 COC1=C(C=C(C=C1)C(=O)NNC2=CC=CC=C2)OC 1 2.604 2 3 -6.52021179159401 795522 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.295 2 4 -20.1991915644657 795520 C1CCC2=C(C1)C=CC=C2NC(=O)C3=CC=CC=C3F 1 4.333 1 1 -7.56898871423798 795504 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)Cl)F 1 2.741 2 2 -5.09435097975381 795491 CC(C)CC1=NN=C(S1)NS(=O)(=O)CC2=CC=CC=C2 1 2.434 3 2 -8.87897421555242 795488 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 2.146 2 3 -18.6570368194644 795463 CC1=CC=CC=C1C(=O)NNC(=O)CC2=CC=CC3=CC=CC=C32 1 3.301 2 2 -11.0431545734717 795461 CCC1=NC=CN1S(=O)(=O)C2=CC(=C(C=C2C)OC)C 1 2.958 2 3 -2.20676461499793 795446 COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2F 1 3.322 0 4 -6.06173201693851 795445 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2CCCC3)OC 1 4.095 1 3 -11.0047194453233 795440 CC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2F 1 3.141 1 2 -5.6205290969926 795430 COC1=CC=CC=C1CNC(=O)CCC2=CC=CC=C2 1 3.096 1 2 -15.1287924841885 795427 C1=CC=C(C=C1)CCC2=NC(=NO2)C3=CC=CC=N3 1 2.914 3 1 -0.583674333264052 795426 C1=CC=C(C=C1)CCC(=O)N2C=NN=C2N 1 1.134 4 1 0 -3.54316371299337 795424 COCC(=O)N1C=C(C2=CC=CC=C21)C(=O)OC 1 1.705 1 4 0 -3.72027021948949 795417 COC1=CC=CC(=C1)C(=O)NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.784 3 5 0 -10.6991060527395 795409 COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Br 1 3.346 1 2 -3.5250827111962 795407 COC1=CC=CC(=C1)C(=O)NNC(=O)/C=C/C2=CC=CC=C2 1 2.323 2 3 -6.55435820870434 795395 CC1=CC(=NC=C1)NC(=O)CC2=CC=C(C=C2)OC 1 2.507 2 2 -4.16782702218746 795393 CC1=CC(=NC=C1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.418 3 3 -5.84925860040055 795389 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)OC 1 1.039 2 4 0 -8.90242687137805 795386 CC1=CC(=C(C=C1)C(C)C)OC(=O)/C=C/C2=CC=CC=C2 1 5.41 0 2 -1.76193250821451 795381 CC1=CC=C(C=C1)C(=O)NC2=CC3=CC=CC=C3C=C2 1 4.009 1 1 -1.97369568242872 795373 COC1=CC=C(C=C1)NC2=NC(=O)C3=CC=CC=C3N2 1 2.385 3 2 -3.55409123955547 795368 COC1=CC(=C(C=C1)C(=O)NCC2=CC=CC=C2OC)OC 1 2.572 1 4 -9.4860340871106 795363 COC(=O)CC1=CC(=O)N=C(N1)NC2=NC3=CC=CC=C3O2 1 1.013 4 4 0 -10.9205258696677 795361 COC1=C(C=C(C=C1)CC(=O)NCC2=CC=CC=C2OC)OC 1 2.607 1 4 -15.0023068141263 795359 COC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)Cl 1 3.262 1 2 -2.19159179912199 795353 C1CCN(C1)C(=O)C2=CC3=CC=CC=C3C=C2 1 2.613 1 1 -1.45156803807645 795340 CC(C)(C)CC1=NN=C(S1)NC(=O)C2=CC=CO2 1 2.325 3 2 -10.5591744301706 795330 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=NN=C(S2)C(C)C)C 1 3.64 3 2 -5.58763084994207 795328 CC1=CC(=C(C=C1)OCC(=O)N2CCCCC2)Br 1 3.231 1 2 -5.90200121053139 795325 COCC1=NN=C(S1)NC(=O)C2=CC=CS2 1 1.039 3 2 0 -11.63958953024 795318 COC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=CC=C2F 1 2.575 2 3 0.193670172667673 795275 COC(=O)NN=CC1=CC(=CC=C1)[N+](=O)[O-] 1 1.556 3 4 0 -8.22028641544279 795273 C1CC(=O)N(C1=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Cl 1 3.086 1 4 -10.9184748927744 795272 C1CC(=O)N(C1=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3 1 2.422 1 4 -13.4555053307298 795268 COC1=CC=C(C=C1)CC(=O)NC2=CC=CC3=C2CCCC3 1 4.146 1 2 -7.09317325743922 795259 COC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CC=C2Br 1 2.603 2 3 -6.4170054711131 795257 CC1=CC=CC=C1C(=O)NNC(=O)CCC2=CC=CC=C2 1 2.848 2 2 -14.8498140431232 795253 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2OC 1 2.794 1 3 -4.95426568497063 795242 C1=CC(=CC(=C1)F)C(=O)NN=CC2=CN=CC=C2 1 1.738 3 1 0 -3.97795285110893 795234 COC(=O)C1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)F 1 2.744 2 3 -6.7133307292771 795224 CC(=NNC(=O)C1=CC(=CC=C1)F)C2=CC=C(S2)Br 1 3.39 2 1 -6.13415010624161 795213 C1=CC(=CC(=C1)F)C(=O)NN=CC2=C(C=CC=C2Cl)Cl 1 4.217 2 1 -5.26242786586647 795212 C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)C3=CC(=CC=C3)F 1 3.797 2 1 -1.44123822107886 795210 CC(C)(C)C1CCC2(CC1)NC(=S)N(N2)C3=CC=CC=C3 1 4.865 3 0 0.754795306907691 795181 CNC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 1 1.59 2 3 0 -17.1314705614111 795163 C1=CC(=CC(=C1)F)C(=O)NN=CC2=C(C=C(C=C2)Cl)Cl 1 4.217 2 1 -4.87505969967493e-002 795156 C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=CC=C2)F)Cl 1 3.553 2 1 -2.23381655877587 795130 C1=CC=C(C=C1)CC(=O)NN=CC2=CC=C(O2)Br 1 2.681 2 2 -7.7138067921014 795120 C1=CC=C(C=C1)CC(=O)NN=CC2=C(C=C(C=C2)Cl)Cl 1 4.046 2 1 -1.44417019936863 795113 COC(=O)C1=CC(=CC=C1)OC(=O)N 1 1.243 1 4 0 -6.64961664405146 795100 COC1=CC=C(C=C1)CC2=C(C3=CC=CC=C3C(=O)C2=O)O 1 3.128 0 4 -0.662020519651497 795097 COC1=CC=CC=C1C=NN2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.841 3 1 5.1414687596363 795096 COC1=C(C=C(C=C1)C=NN2CCN(CC2)C3=CC=C(C=C3)Cl)O 1 3.599 3 2 8.6264512521473 795095 COC1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.841 3 1 5.70421175306298 795072 C1=CC=C2C(=C1)N=C(N2CC(=O)O)C3=NON=C3N 1 0.983 5 3 0 -7.03902792024418 795060 CC1(CC(=O)C(=CNC2=CC(=C(C=C2)OC)OC)C(=O)C1)C 1 1.99 1 4 0 -14.7762624811361 795055 COC1=CC=C(C=C1)CCC(=NO)C2(CCCCC2)O 1 3.358 1 3 4.93210415577911 795046 CC(=NNC(=O)N)C1(CCCCC1)C 1 1.659 3 1 0 -5.18817361256491 795044 CC1(C=CC2=C(C=CC(=C2O1)C(=O)CC(=O)O)OC)C 1 2.151 0 5 -4.57341491386777 795024 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)C)C 1 3.516 1 3 -3.29586222541945 795012 CCOC1=CC=CC(=C1)C(=O)NC2=CN=CC=C2 1 1.796 2 2 0 -6.79867858715717 795005 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)Br 1 3.689 2 2 -1.48998601391651 794997 CC1=C2C(=CC(=C1)OC)C(=CO2)C(=NO)C 1 2.41 1 3 2.54037739007482 794995 C1=CC(=CC=C1NC(=O)C2=NC=NN2)O 1 0.539 4 2 0 -3.41664253034282 794993 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 5.335 3 2 11.0048789011891 794982 C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 1.757 3 3 0 -5.18164383388152 794968 C1CCC(CC1)NCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.173 3 3 -5.4765896743214 794945 CC(C)(C)C(=O)NC1=NN=C(S1)CC2=CC=CC=C2 1 2.93 3 1 -16.985068827771 794912 C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C(=O)N 1 2.189 3 2 -4.39692668140765 794903 C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)NC3=CC=CC=C3 1 2.921 4 1 -5.81176161943314 794863 CN(C)C1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)N 1 2.59 3 1 1.01139550878163 794839 C1=CC(=CC(=C1)Br)C2=NNC(=S)O2 1 3.291 2 1 -2.68355032296882 794805 C1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)N 1 2.428 2 1 3.33232507329753 794797 CCOC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)OCC)N)N 1 2.405 2 3 -3.68515171959557 794790 C1=COC(=C1)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl 1 4.285 1 2 -2.61036564517963 794784 C1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=O 1 1.038 3 2 0 -10.1986340896306 794782 CC1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=O 1 1.29 3 2 0 -11.6070322836396 794779 C1=CC=C(C(=C1)NC2=C(C(=O)N3C=CC=CC3=N2)C=O)Cl 1 2.104 3 2 -6.30147059807821 794775 C1=CC2=NC(=C(C(=O)N2C=C1)C=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.382 3 2 -1.79369173304665 794755 C1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3 1 2.719 1 3 -9.4474229905886 794738 CC1=CC=CC=C1C=NC2=CC=CC=C2C(=O)N 1 2.914 2 1 4.98864141784882 794732 CC(=O)N1C=C(C2=CC=CC=C21)C3C(=O)CC(CC3=O)(C)C 1 2.549 1 3 -3.48849424129199 794694 CC1=C(CS(=O)N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C 1 2.767 1 3 -6.08589738308867 794693 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=C(C=C2)O 1 1.818 2 4 0 -6.51253789205327 794692 CC1=C(CS(=O)N(C1)S(=O)(=O)C2=CC=CC=C2)C 1 2.102 1 3 -8.80390571291164 794674 COC1=CC=C(C=C1)/C=C(\C#N)/C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 3.5 2 5 0 -11.51776783488 794671 CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])/C=C/N(C)C2=CC=CC=C2 1 1.053 4 4 0 -8.17184240354577 794662 CN1C2=C(C(=O)N(C1=O)C)NC(=C2O)C3=CC=CC=C3Cl 1 2.593 3 3 -3.99603535283389 794657 C1=CC=C2C(=C1)N=CN2C3=CC=CC=C3[N+](=O)[O-] 1 3.022 3 2 -3.05756252818664 794643 C1=CC=C(C=C1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl 1 4.483 1 1 5.60810478614806 794607 C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2SCCC(=O)O 1 3.996 2 3 -11.8597858703784 794605 CC1=CC=CC(=C1)C(=O)NN=CC2=C(C=CC3=CC=CC=C32)OC 1 4.061 2 2 -0.922965199890654 794578 CCC(=O)NC1=NN=C(S1)CC2=CC=CC=C2 1 2.051 3 1 -11.2772075567712 794523 CCOC(=O)/C(=C/C1=CC=C(C=C1)N2CCCCC2)/C#N 1 3.42 2 2 -7.20054723116433 794519 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)/C=C/C2=CC=CO2 1 2.698 1 6 0 -10.4034971777633 794499 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC 1 1.258 1 5 0 -12.7981485311389 794496 CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 0.871 2 4 0 -11.5460863036068 794495 CC(C)C1=NC=CN1S(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 2.431 2 4 -8.87231256738635 794493 CCC1=NC=CN1S(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 1.969 2 4 0 -6.89642040214255 794491 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2C=CN=C2 1 1.041 2 4 0 -6.52359317365549 794488 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CN=CC=C2 1 1.141 2 4 0 -6.50815424071575 794487 CC1=NC2=C(C=CC(=C2N=C1C)OC)NC(=O)C 1 0.963 3 2 0 -7.87290460073757 794479 CC1=CC=C(C=C1)NC2=C(CS(=O)(=O)C2)[N+](=O)[O-] 1 1.383 2 4 0 -4.88509922371317 794476 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C 1 3.065 1 4 -3.46307591245271 794456 CC1(CC(=O)C(C(=O)C1)C2=CNC3=CC=CC=C32)C 1 2.559 1 2 -4.92362137053779 794439 C1=CC2=NN(N=C2C=C1N)C3=C(C=CC(=C3)[N+](=O)[O-])O 1 2.078 5 3 0 1.14002876642005 794433 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2)C 1 2.146 2 2 -2.15198852178198 794432 C1=CC=C(C=C1)NC(=O)NN=CC2=C(C(=CC=C2)Cl)Cl 1 3.92 3 1 0.287514125175728 794430 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2)C 1 2.361 2 2 -4.55219107832512 794420 CC1=C(C=C(C=C1)S(=O)(=O)N2C=CN=C2)C 1 2.046 2 2 -4.50465927659697 794419 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C 1 1.876 2 2 0 -11.2478936537599 794391 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NC3=CC=CC=N3 1 2.946 2 3 -5.86689229820899 794387 CC(C)OC1=CC=CC=C1C=NN2C(=NN=N2)N 1 1.29 6 1 0 -5.20372149121813 794384 CC1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)N 1 2.914 2 1 3.67268188739429 794380 CC(C)C1=NC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.793 2 2 -5.87980817856612 794378 CC1=CC=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)Br 1 3.918 2 1 -2.83223080576712 794374 CCC1=NC=CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.91 2 2 -3.91050857105555 794372 CCC1=NC=CN1S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 1.969 2 4 0 -10.3580797209892 794370 CC1=CC=C(O1)C=NNC(=O)NC2=CC=CC=C2 1 2.132 3 2 -3.72422855057273 794365 CN(C)C1=C2C(=C(SC2=NC=C1)C(=O)C3=CC=CC=C3)N 1 2.851 3 1 -7.03963665644235 794339 CN(C)C1=CC=C(C=C1)NC2=C(CS(=O)(=O)C2)[N+](=O)[O-] 1 1.059 3 4 0 -7.54638560232582 794333 COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Br 1 3.966 0 2 -0.758550560004757 794280 C1C(=C(CS1(=O)=O)[N+](=O)[O-])NC2=CC=CC3=CC=CC=C32 1 1.805 2 4 0 -4.39560897660747 794276 COC(=O)NC1=NN=C(S1)CC2=CC=CC=C2 1 2.027 3 2 -11.1358082890497 794271 C1CCCCCC2=C(CCCC1)C=CC(=O)N2 1 3.981 1 1 -9.76096442916218 794239 CCOC(=O)C(=NNC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 1 3.349 2 4 -4.6839478996835 794237 COC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=CC=C3 1 2.997 3 2 -7.63593129831298 794223 CC(=O)NC1=NON=C1C2=CC=CC=C2 1 1.24 3 2 0 -3.52518305357983 794217 CC1=CC=CC(=C1)C=NC2=CC=CC=C2C(=O)N 1 2.914 2 1 5.09722616555217 794203 C1C(=O)NC(=O)CN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 -0.332 3 5 0 -13.1132732264864 794172 CCN(CC)C1=CC=C(C=C1)N=CC2=CC=CC=C2[N+](=O)[O-] 1 4.18 3 2 0.697092514458113 794170 CC1=C(C=C(C=C1)[N+](=O)[O-])N=CC2=CC=C(S2)C 1 3.906 2 2 5.83257790980738 794164 CC(=O)NC1=NNC(=C1)C2=CC=C(C=C2)Cl 1 2.407 3 1 3.29057206933338 794163 CCOC(=O)CC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=C(C=C3)Cl 1 1.683 3 3 0 -5.44831985208378 794156 CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)N3CCOCC3 1 2.849 1 4 -11.899406696331 794144 CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)NN 1 3.695 2 1 -4.02993633626123 794136 C1=CC=C(C=C1)C(=O)COC2=CC3=CC=CC=C3C=C2 1 3.977 0 2 -1.58917603296118 794134 C1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=C(C=C3)Cl 1 4.178 3 1 -3.09888348385793 794133 C=CCN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2 1 2.506 3 2 -14.2715900312583 794101 CC1=CC=C(C2=NSN=C12)/C=[N+](/C3=CC=C(C=C3)N(C)C)\[O-] 1 3.273 4 1 -0.265650870543082 794096 CCSC1=NC2=CC=CC=C2N1CC(=O)OC 1 2.69 2 2 -9.31497403207394 794093 CCOC(=O)NN=C1C2=CC=CC=C2C3=CC=CC=C31 1 3.344 2 2 -7.08183025645978 794077 CC1=CC=C(C=C1)N/C(=C(\C#N)/C(=O)N)/C 1 1.48 3 1 0 -9.92910241525693 794068 CC1=CC=C(S1)C2=C(C(=NC3=C2CCCC3)N)C#N 1 3.488 3 0 -2.65653658352186 794063 C1=CC=C(C=C1)C(=O)OC2=CC(=O)OC3=CC=CC=C32 1 3.036 0 4 -6.22295499489059 794052 CC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)N3CCOCC3 1 2.849 1 4 -11.6169474684247 794044 C1=CC(=CC=C1F)S(=O)(=O)NC2=NC=C(C=C2)Cl 1 2.576 2 2 -0.35892769855128 794027 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NN=CC3=CC=CO3 1 2.863 3 3 -10.6445170421446 794021 C1=CC=C(C=C1)C(=O)NN=C2C3=CC=CC=C3C4=CC=CC=C42 1 4.016 2 1 -7.2937199946201 794007 C1=CC=C(C=C1)CNC2=CC=CC=CC2=O 1 2.098 1 1 -4.04970245426017 793991 CCCN1C=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C1 1 2.248 1 2 0.49796136270466 793961 CC1=CC2=NC(=C(N2C=C1)C(=O)NN=C3CCCCCCC3)C 1 3.258 4 1 -9.53538646330776 793956 C1=CC(=CC=C1OCC2=NC(=NO2)C3=CC=NC=C3)Cl 1 2.494 3 2 5.45306138001477 793934 C1=CC(=CC=C1OCC(=O)NNC(=O)C2=CC=NC=C2)Cl 1 1.22 3 3 0 -7.40304989729466 793931 C1=CC=NC(=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)Cl 1 1.649 3 3 0 -7.71546774451819 793928 COC1=CC=C(C=C1)CCNC(=O)C2=CC=CS2 1 2.879 1 2 -7.99212514840183 793927 CN1C=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C1 1 1.375 1 2 0 0.185579878636197 793924 COC1=CC(=CC=C1)OCC(=O)NNC(=O)C2=CC=CS2 1 1.643 2 4 0 -11.546845778691 793922 CC1=CC(=CC=C1)OCC(=O)NNC(=O)C2=CC=CS2 1 2.146 2 3 -9.45243105323194 793920 C1=CC(=CC(=C1)F)C(=O)NNC(=O)C2=CC=CS2 1 2.03 2 2 -6.20426428231014 793919 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CS2)F 1 2.03 2 2 -9.60381328851267 793917 CCCC(=O)NC1=CC=C(C=C1)C=C(C(=O)C)C(=O)C 1 1.962 1 3 0 -8.11567327647045 793916 C1=CSC(=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.153 2 2 -5.65613876047978 793893 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 3.936 2 2 1.00008191484719 793887 CC1=C(C(=C(C(=C1)C2C(=O)C3=CC=CC=C3C2=O)C)C)C 1 4.764 0 2 -2.75467742273242 793874 COC(=O)CSC1=NN=NN1C2=CC=CC=C2 1 1.507 4 2 0 -21.3646998224816 793873 C1CCC(=NC#N)N(CC1)CC(=O)N 1 -0.206 4 1 0 -9.46504631105233 793869 COC1=C(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3 1 2.924 0 3 1.625056499623 793865 CC1=CC=C(C=C1)C2=C(C(=C(S2)C(=O)NN)C)C#N 1 2.954 3 1 -3.0148887017818 793820 CCCC(=O)NC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O 1 3.062 1 3 -13.4150470430333 793818 CC1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.397 2 2 -4.19112763633099 793808 CC1(C2=C(C=NO2)C3=C(O1)C=CC4=C3OC(=O)C=C4)C 1 2.483 1 4 -3.19687480685753 793790 C1=CC2=C(C=C1Br)C(=O)N(C2=O)C3=NC=C(C=C3)Cl 1 3.24 2 2 0.575315054846875 793776 CC1=C(C2=C(N1C3=CC=CC=C3)C(=NC=N2)C4=CC=CC=C4)C#N 1 4.527 4 0 1.56021780678064 793761 C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=C2)C#N)N 1 2.714 4 0 0.470685226986423 793747 CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2 1 0.838 1 5 0 -21.5312477695647 793741 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC 1 1.971 1 4 0 -20.957323158295 793739 C1CCCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3 1 3.72 1 3 -12.8528295786912 793738 C1CCC(C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3 1 2.927 2 3 -13.4706804815469 793731 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=NC4=CC=CC=C4N3C 1 2.647 5 1 -4.81037591882704 793725 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl 1 3.098 1 4 -4.25940393215599 793708 CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC3=CC=CC=C32 1 3.855 1 2 -3.02645892889245 793691 C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)N)Cl 1 2.532 2 1 -4.36840736826631 793682 CC(=O)NC1=CC(=C(C=C1)Cl)C(=O)N 1 0.616 2 2 0 -6.08574825548537 793678 CCN(CC)C(=O)C1=CC2=C(C(=CC=C2)CC=C)OC1=O 1 2.979 1 3 -14.211635309589 793672 COC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=CS3 1 3.623 2 1 6.22323024440897 793670 C1=CSC(=C1)C2=CSC(=N2)NC3=CC=C(C=C3)O 1 3.398 2 1 8.51607056469225 793656 C1CCC2(CC1)C3=C(CCCC3)NC(=S)N2 1 3.694 2 0 -6.10283167494011 793640 COC1=CC=C(C=C1)/C=C/2\C3=CC(=C(C=C3COC2=O)OC)OC 1 3.336 0 5 -5.35526852822527 793621 CC1=NC(=NC(C1)(C)C)NC2=NC3=CC=CC=C3C(=N2)C 1 2.652 5 0 -1.17980883003696 793599 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)O 1 2.497 0 4 -9.97404463583441 793594 CCOC(=O)C1=C(N(N=C1)C2=C3C4=C(CCC4)SC3=NC=N2)N 1 2.386 5 2 0 -13.9352669278466 793586 CC1=NC2=C(C(=O)N1N)SC(=C2)C3=CC=CC=C3 1 2.1 3 1 -5.10544673607716 793583 CN1C2=CC=CC=C2C(=C1C(=O)OC)S(=O)(=O)N 1 1.181 2 4 0 -5.41362886516172 793579 C1CC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=CO3 1 2.602 2 2 -16.8829722661408 793566 CC1=CC=C(C=C1)P(=O)(CO)C2=CC=C(C=C2)C 1 3.816 0 2 -1.43235087337624 793494 COC1=CC(=C(C=C1)OC)C(=O)C2=CC=C(C=C2)C(=O)O 1 2.831 0 5 -5.03705292884247 793449 CC(C)(C)P(=O)(CO)C1=CC=CC=C1 1 2.198 0 2 -2.7018744219574 793431 CC1=CC(=C(C(=C1)C)C(=O)C2=CC=C(C=C2)C(=O)NC(C)(C)C)C 1 4.832 1 2 -11.4933255761114 793429 C/C(=C(/C#N)\C(=O)N)/NC1=CC=CC=C1 1 0.993 3 1 0 -10.0857565536303 793426 CC1=C(C2=C(N1C)C=CC(=C2)OC(=O)C)C(=O)C 1 1.982 1 3 0 -3.86625113407352 793416 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)CC(=O)O 1 1.576 2 3 0 -8.57930458028517 793415 CCN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)O 1 1.199 2 3 0 -9.96338855034268 793400 CC1=CC=C(C=C1)C2=CC3=NC(=C(C(=O)N3N2)CC=C)C 1 2.518 3 1 -5.52102181519014 793394 CCCC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=C(C=C3)Cl 1 2.708 3 1 0.153376388646075 793392 CC1=C(C(=O)N2C(=N1)C=C(N2)C3=CC=CC=C3)CC=C 1 2.031 3 1 -5.80724163717153 793387 CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)C 1 2.901 1 4 -8.25802795313103 793381 CCCC(=O)C1CCN(CC1)CC2=CC=CC=C2 1 3.229 1 1 -0.276318978424 793357 COC1=CC=CC=C1C(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2 1 4.107 1 2 -5.78460265544598 793281 C1CCCN(CCC1)CC2=CC(=CC=C2)Br 1 4.481 1 0 3.71748353435528 793280 C1CSCCN1CC2=CC(=C(C=C2)Cl)Cl 1 3.664 1 0 5.02230564069047 793264 COC1=CC=C(C=C1)CC2=NNN=N2 1 1.317 4 1 0 -3.76075576037298 793219 C1=CC=C2C(=C1)/C(=C/C(=O)O)/NC2=O 1 0.586 1 3 0 -4.59498161584453 793195 CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C#N)C 1 3.669 3 0 -1.91932330575451 793184 CC1=CC(=C(N1C2=CC=CC=C2)C)C=C(C#N)C#N 1 3.183 3 0 -2.39751922200833 793179 CC1=CC(=C(N1C2=CC=CC=C2)C)C=NO 1 2.823 2 1 3.45204578802451 793168 CC1=CC=C(N1C2=C(C(=C(S2)C)C)C(=O)NN)C 1 1.925 3 1 0 -7.28490753911018 793122 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)N 1 1.668 4 1 0 -10.1710807604785 793109 CN(CCO)C1=NC(=NC(=N1)OC)OC 1 0.478 4 3 0 -1.23148107334982 793076 C1CCC(C1)(CNC(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.076 1 1 -16.7567769323539 793004 C1CCC(CC1)SC2=NC3=CC=CC=C3N2CC(=O)O 1 3.974 2 2 -3.99885896088637 792996 COC1=CC=CC=C1OCCN2C3=CC=CC=C3NC2=S 1 4.506 2 2 -5.30574124454726 792994 C1CC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=CC=C3 1 3.207 2 1 -18.584472231837 792991 CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3NC2=S 1 5.008 2 1 -0.520835415485937 792978 C1=CC=C(C=C1)C(=O)NNC(=O)C2=C(NC3=CC=CC=C3C2=O)O 1 1.654 3 4 0 -7.64009934075691 792974 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl 1 1.865 2 1 0 -0.257960951335703 792971 CCC(=O)NNC(=O)C1=C(NC2=CC=CC=C2C1=O)O 1 0.656 3 4 0 -9.61674261741616 792965 C1CN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl 1 3.559 1 1 -7.76582834400726 792964 COC1=CC2=C(C=C1)NC=C2CCN3C(=O)CCC3=O 1 1.595 2 3 0 -6.39413921853399 792960 C1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3 1 2.184 2 3 -2.53173967739863 792950 COC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)OC)OC 1 2.565 1 4 -7.83410105883813 792934 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.114 3 4 0 -10.2525264239251 792929 CC(=O)NC1=CC(=CC(=C1)O)O 1 0.466 1 3 0 -1.97642237815545 792903 CCCC1=NOC2=C1C(=NO)CCC2 1 2.148 2 2 -6.39608197425412 792901 C1=CC(=CC(=C1)OC(=O)C2=CC=CO2)OC(=O)C3=CC=CO3 1 3.484 0 6 -4.99874554046854 792900 C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.528 1 2 -7.32848167494086e-002 792875 CC(C)(C)C1CCC(CC1)OC(=O)CCC(=O)NC2=CC=CC=C2 1 4.045 1 3 -15.4566788568224 792843 C1=CC=C(C=C1)NC(=O)NN=CC2=CC=CO2 1 1.986 3 2 0 -3.86750259165212 792841 CC1(CC(=CC(=O)C1)NCCC2=CC=CC=C2)C 1 2.754 1 1 -14.2773051488307 792834 CC(=NNC(=O)NC1=CC=CC=C1)C2=CC=CC=C2 1 2.572 3 1 -6.29998425643638 792833 CCC(=NNC(=O)NC1=CC=CC=C1)C2=CC=CC=C2 1 3.239 3 1 -5.62167054461968 792830 CC1=CC=C(C=C1)C(=NNC(=O)NC2=CC=CC=C2)C 1 3.058 3 1 -5.21130522687879 792807 CCC(=C1C(=O)CC(CC1=O)(C)C)NC2=CC=CC=C2 1 3.061 1 2 -8.80111692206905 792802 CCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NC 1 2.032 1 2 -9.55064660966464 792795 CCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NC3=CC=CC=C3OC 1 3.87 1 3 -10.5847636554063 792793 C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4 1 3.68 2 2 7.42778138974808 792775 COC1=CC=CC=C1N2CCN(CC2)C(=O)OC3=CC=CC=C3 1 3.412 2 3 -2.08333545943557 792772 CCC1=CC=C(C=C1)CN2CCSCC2 1 3.278 1 0 2.80644259318811 792771 C1=CC=C(C(=C1)C(=O)NC2=CC=CC3=C2N=CC=C3)Cl 1 3.465 2 1 -6.68583055985943 792757 C1CCCN(CCC1)CC2=CC(=C(C=C2)F)F 1 4.144 1 0 4.2982089530756 792753 CC(C)C1=CC=C(C=C1)CN2CCSCC2 1 3.53 1 0 3.74604040372566 792738 CC1=CC(=CC=C1)CN2CCSCC2 1 2.822 1 0 4.2927589650329 792721 COC1=CC(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OC 1 3.411 2 2 3.12806907056945 792707 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 0.253 4 4 0 -10.413037051374 792699 CCOC(=O)C1CCN(CC1)CC2=C(C(=C(C=C2)OC)C)OC 1 3.033 1 4 0.158429270402711 792680 C1CCCN(CCC1)CC2=CC(=CC=C2)F 1 3.938 1 0 5.03439532577026 792679 CC(C)NC1=C(C=CC(=C1)[N+](=O)[O-])OC 1 2.243 2 3 -7.0490506137881 792677 C1CSCCN1CC2=CC(=C(C=C2)F)F 1 2.747 1 0 4.1691734051144 792665 CN1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3 1 3.421 2 1 7.56563030467298 792664 CCN1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl 1 4.434 2 1 7.8825920411777 792663 C1CSCCN1CC2=CC=C(C=C2)C3=CC=CC=C3 1 3.854 1 0 6.62547710907172 792657 CCOC1=CC=C(C=C1)C2=NN=C(S2)N 1 1.814 3 1 0 0.905787024065604 792632 CC1=C(C2=C(N1C3=CC=CC=C3)C=C(C=C2)O)[N+](=O)[O-] 1 3.703 2 3 4.84573798066002 792618 CN(C)C1=CC=C(C=C1)CN2CCCCCC2 1 3.439 2 0 0.930329876422577 792606 CC1=C(C(=O)N=C(N1CCO)C)C2=CC=CC=C2 1 0.911 2 2 0 -2.56844458818559 792603 CN1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl 1 4.085 2 1 10.1439952584352 792601 CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC=C(O3)Br)C 1 4.255 2 1 7.61775096858243 792595 C1CSCCN1CC2=CC(=C(C=C2)F)Br 1 3.289 1 0 2.86089968647944 792592 COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)OC 1 4.269 3 2 -6.07549043641445 792589 CC1=CC(=C(C=C1CN2CCSCC2)C)OC 1 3.292 1 1 4.47782431172969 792581 CC1=CC=C(C=C1)N2C(=C(C3=C2C(=C(C=C3)O)CN(C)C)[N+](=O)[O-])C 1 4.263 3 3 6.93673711080218 792578 C1CCCN(CC1)CC2=CC=C(C=C2)C(F)(F)F 1 4.219 1 0 7.18738314236753 792536 C1CN(CCC1CC2=CC=CC=C2)CC3=CC(=CC=C3)F 1 4.766 1 0 8.88543813407453 792522 COC1=CC=CC=C1N2CCN(CC2)CC3=C(C(=CC=C3)OC)OC 1 3.483 2 3 2.98849784464007 792517 CC1=C(C(=CC=C1)N2CCN(CC2)CC3=COC=C3)C 1 3.609 2 1 5.58258353935645 792516 COC1=CC(=CC(=C1O)OC)CN2CCCCCC2 1 3.002 1 3 1.50089227081226 792513 C1=CC=C(C=C1)C2=NN3C(=NN=C3Cl)C=C2 1 2.96 4 0 -1.31907229099645 792508 CC1=C(SC=C1)CN2CCN(CC2)C3=CC=CC=N3 1 3.147 3 0 4.99169048773403 792502 CC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3 1 3.93 2 0 4.11266593676852 792495 C1CSCCN1CC2=CC(=CC=C2)C(F)(F)F 1 3.278 1 0 6.56414343749766 792487 CC1=CC=CC=C1N2CCN(CC2)CC3=CNC4=CC=CC=C43 1 4.312 3 0 7.5405211946185 792486 C1=CC=C2C(=C1)C(=CN2)CN3C=CN=C3 1 1.8 3 0 0 1.4996869308938 792483 CN1CCCN(CC1)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 1.784 3 4 0 -2.43636592900556e-002 792447 CC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.154 3 3 -1.70265161918113 792437 C1CSCCN1CC2=CC(=CC=C2)Cl 1 3 1 0 5.46020190131052 792424 C1=CC(=CC=C1C(=O)NCC(=O)NN)F 1 -0.395 3 2 0 -9.03733161173494 792423 C1=CC=C(C(=C1)C(=O)NCC(=O)NN)F 1 -0.395 3 2 0 -11.711252079131 792421 C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=NC=C(C=C3)Br 1 3.66 2 1 -3.56942794534333 792393 CCOC1=CC=CC(=C1)C(=O)NC2=NC=CS2 1 1.944 2 2 0 -8.10771138343032 792390 C1=CC=C(C=C1)CN=CC2=CC(=CC=C2)O 1 3.191 1 1 1.55278665642998 792378 CC1=CC=C(C=C1)CN(C)C2CCN(CC2)C 1 2.5 2 0 3.49393449109217 792368 C1CN(CCC1CC2=CC=CC=C2)CC3=CC=CC=C3C(F)(F)F 1 5.503 1 0 6.40175886440325 792367 CN(C1=CC=CC=C1C(=O)O)C(=O)C2=CC=CO2 1 1.845 1 4 0 -8.36744218951111 792364 COC1=C(C(=C(C=C1)CN2CCC3=CC=CC=C3C2)OC)OC 1 3.512 1 3 -3.84214551718224 792361 CCOC(=O)C1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3 1 4.14 1 3 1.23020094379304 792360 CCN1CCN(CC1)CC2=C(C=C(C=C2)C)C 1 3.182 2 0 3.02740203077574 792348 C1CCCN(CCC1)CC2=CC=C(C=C2)Cl 1 4.397 1 0 5.41361494562205 792345 C1CC(=O)N(C1=O)C2=CC(=C(C=C2)Cl)C(=O)O 1 1.284 1 4 0 -9.12825570014486 792340 COC1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC=CC=C3 1 3.746 2 2 10.5352991736511 792335 CC1=CC=C(C=C1)S(=O)(=O)N2C(=S)SCC2(C)C 1 3.718 1 2 -7.99000501286341 792334 C1=CC=NC(=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.167 2 2 -2.72410123355995 792333 CC1(CSC(=S)N1S(=O)(=O)C2=CC=CC=C2)C 1 3.232 1 2 -8.88601465209957 792328 CC(=NNC(=O)C1=CC(=CC=C1)N2CCCC2=O)C3=CC=C(C=C3)N 1 1.499 4 2 0 -18.0126676587297 792317 C1CCN(CC1)C2=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C52 1 3.086 4 1 -4.77902062568558 792312 C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)O 1 3.032 3 2 -4.51124309746939 792302 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC=C2 1 4.244 3 3 -8.85820862758869 792299 CC1=CC=CC=C1NC(=S)NC2=CC=CC=C2 1 4.853 2 0 -6.65382953982551 792291 COC1=C(C=C(C=C1)CN2CCC3=CC(=C(C=C3C2)OC)OC)O 1 3.27 1 4 -1.40027440824142 792283 CC1=CC(=C(C=C1)C)CN2CCN(CC2)C3=NC=CC=N3 1 2.627 4 0 6.65828908585437 792227 C1CCC(=NNC(=O)C2=CC(=CC=C2)Br)C1 1 2.7 2 1 -7.71730432152533 792230 CC1=C(C=CC(=C1)C=NNC(=O)CN2CCSCC2)OC 1 1.927 3 2 0 -4.79877077566068 792235 CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC=C(C=C2)Cl 1 3.031 2 2 -4.41510345829463 792263 CC1=C(C=C(C(=N1)SCC2=CC=CC=C2C#N)C#N)C(=O)C 1 3.124 3 1 -13.166009516594 792246 CC1=C(SC(=C1C(=O)NCCN(C)C)NC(=O)C2=CC=CC=C2)C 1 2.379 3 2 -11.07558208016 792220 CC1=C(C(=O)N2C(=N1)SC(=N2)C3=CC=CC=C3)Br 1 3.131 3 1 -4.8444371166096 792203 CCOC1=CC=C(C=C1)C=NNC(=O)CN2CCCCCCC2 1 3.187 3 2 -6.25849042112135 792193 CCOC1=CC=C(C=C1)C=NNC(=O)CN2CCSCC2 1 1.79 3 2 0 -6.38752596908255 792179 CC1=C(C=CC(=C1)F)NCC2=CC=CC=C2[N+](=O)[O-] 1 3.808 2 2 -2.33581713069459 792173 COC1=CC(=C(C=C1)C=NNC(=O)CN2CCSCC2)OC 1 1.424 3 3 0 -4.70884845174605 792165 C1CCCN(CCC1)CC(=O)NN=CC2=CC=CC=C2F 1 3.06 3 1 -3.80426806216561 792137 COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CN=CC=C2 1 1.949 3 3 0 -4.79602856507703 792136 COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC=CO2 1 2.281 2 4 -3.54453916585558 792115 C1CCCN(CCC1)CC(=O)NN=CC2=CC(=C(C=C2)F)F 1 3.265 3 1 -4.36490754336387 792097 CC1=C(C=CC(=C1)F)NCC2=CC=NC=C2 1 2.763 2 0 0.607951878808393 792077 COC1=CC(=CC(=C1)CNCC2=CNC3=CC=CC=C32)OC 1 3.211 2 2 0.103832157832348 792075 CC1=C(C=CC(=C1C)OC)C=NNC(=O)CN2CCCCCCC2 1 3.81 3 2 -2.30254095977336 792062 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3F 1 4.616 1 1 -6.68758946328323 792055 CC1=C(C2=NC3=CC=CC=C3N2C(=C1C(C)C)Cl)C#N 1 4.768 3 0 -7.50551809796055 792037 CC1=CC=C(C=C1)S(=O)(=O)N(CCO)CC2=CC=CC=C2 1 2.477 1 3 -6.21936719705736 791999 C1CCCN(CCC1)CC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 2.268 4 4 0 -4.72868661631937 791979 CC1=NC(=C(C=C1)C#N)SCC2=CC=CC=C2F 1 3.71 2 0 -9.67441349620694 791966 C1=CC=C(C=C1)CCNC(=O)NC2=CC(=CC=C2)Cl 1 3.515 2 1 -3.7952817011237 791954 CC1=CC(=CC(=C1)NCC2=CC=NC=C2)C 1 3.044 2 0 -1.90601048985458e-002 791948 CCOC1=C(C=CC(=C1)CN2CCC3=C(C2)NC4=CC=CC=C34)OC 1 4.249 2 2 -2.09364961261935 791940 C1CN(CC2=C1C3=CC=CC=C3N2)CC4=C(C(=CC=C4)Cl)Cl 1 5.262 2 0 3.94137559876018 791937 C1CSCCN1CC(=O)NN=CC2=CC=CC=C2F 1 1.663 3 1 0 -3.93330361012682 791926 COC1=CC(=C(C=C1CNC2CCCCCC2)Br)OC 1 4.397 1 2 1.13715969853743 791864 COC1=CC=CC=C1CNCC2=CC=C(C3=CC=CC=C23)OC 1 3.826 1 2 3.94006235004694 791827 CC1=CC(=NN1S(=O)(=O)C2=CC=C(C=C2)Cl)C 1 2.723 2 2 -6.83061773593116 791826 CCCC1=NC=C(N1C)C(=O)C2=CC=C(C=C2)OC 1 2.986 2 2 -2.3700497315599 791823 CCC1=NC=C(N1C)C(=O)C2=CC=C(C=C2)OC 1 2.53 2 2 -2.32837909539978 791817 COC1=CC=CC(=C1)C=NNC(=O)C2=CC=CC3=CC=CC=C32 1 3.575 2 2 -2.8282206480615 791816 C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2CO 1 2.618 3 3 -1.55221363574 791811 C1CCN(C1)C(=O)NC2=CC=CC=C2 1 1.613 2 1 0 -5.20476959081781 791808 C1=CC=C2C(=C1)NC(=N2)N(CCO)CCO 1 0.35 3 2 0 1.74851968219389 791790 CCC(=O)N1CCCN2C1=NC3=CC=CC=C32 1 1.967 3 1 0 -4.92106041732548 791786 CCC(=O)N1CCN2C1=NC3=CC=CC=C32 1 1.904 3 1 0 -4.40266161374052 791767 C1CSCCN1CC(=O)NN=CC2=CC=C(C=C2)F 1 1.663 3 1 0 -4.49645958276514 791757 C1CCCN(CCC1)CC(=O)NN=CC2=C(C=C(C=C2)F)F 1 3.265 3 1 -1.85569936374698 791731 CC(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCCCCC2 1 4.279 1 1 -4.50838521583074 791722 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 4.319 2 1 -4.61383901760595 791721 C/C=C/C(=O)NC1=CC=CC(=C1)C(F)(F)F 1 2.992 1 1 -3.66859791182219e-002 791713 CNC(=O)OC1=CC2=C(C=C1)N=CC=C2 1 1.779 2 2 0 -2.94188634178783 791687 C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 2.489 2 2 -12.0352762881677 791685 CC(=NNC(=O)C1=CC(=CC=C1)N2CCCC2=O)C3=CC=NC=C3 1 1.094 4 2 0 -19.5253933677307 791676 CC1=C(C=CC(=C1)F)NCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.808 2 2 -1.37389152068653 791674 C1CCCC(CC1)NCC2=CC(=CC=C2)[N+](=O)[O-] 1 3.576 2 2 -0.870297783280905 791639 CCOC1=CC=C(C=C1)NC(=O)CC2=CC=CC=C2 1 2.981 1 2 -6.59479181384162 791623 CC(=NN=C(C)C1=CC(=CC=C1)OC)C2=CC(=CC=C2)OC 1 3.423 2 2 -0.324933528493246 791564 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=NC=CS2 1 1.379 2 3 0 -8.19507985604908 791562 CCN(CC)C(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 3.46 1 1 -4.54275132484248 791537 C1CCCN(CC1)CC(=O)NN=CC2=CC=CS2 1 2.352 3 1 -6.42419079109258 791527 CCC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 2.257 2 2 -5.32173733002648 791520 C1COCCN1C(=O)N2C=NC3=CC=CC=C32 1 1.225 3 2 0 -6.28013225769091 791511 C1=CC(=CC(=C1)Cl)NC(=O)NNC(=S)N 1 1.56 4 1 0 -2.00064276796203 791507 CC(=O)NC1=CC(=CC=C1)NC(=O)CCCC(=O)O 1 0.372 2 4 0 -15.3280257629301 791500 CCOC(=O)C1=C(NC(=S)C(=C1C2=CC=CC=C2)C#N)C 1 2.765 2 2 -9.74667047378131 791494 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2NN 1 1.916 4 1 0 -2.21388326557561 791490 COC1=CC(=CC(=C1O)[N+](=O)[O-])CN2CCCCCC2 1 2.913 2 4 1.51126531780771 791486 CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3 1 4.168 2 1 -14.6209810226487 791485 CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCCC3 1 4.025 2 3 -19.3423338288498 791483 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OCC 1 2.641 2 3 -19.0783420688348 791481 CCC1=CC=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3 1 2.597 4 0 5.91978589750012 791477 COC1=CC=C(C=C1)N/C=C/2\CCOC2=O 1 1.512 1 3 0 -2.73845495615072 791463 C1CCCN(CCC1)CC2=C(C(=CC=C2)Cl)Cl 1 5.061 1 0 3.7022317090459 791458 C1CCC(CC1)N2C(=O)C3=CC=CC=C3NC2=S 1 4 2 1 -8.7595328795573 791447 C1CCCN(CCC1)CC2=C(C=C(C=C2)F)F 1 4.144 1 0 3.96430276156773 791441 C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC=CC=N3 1 1.549 5 2 0 2.68350701784651 791428 C1CCN(CC1)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.26 2 4 -2.59059320282579 791424 C1CCCN(CC1)CC2=C(C=C(C=C2)F)F 1 3.688 1 0 3.96430276156773 791420 CCN1C2=CC=CC=C2N=C1NCC3=CC4=C(C=C3)OCO4 1 3.129 3 2 -4.16923719758318 791417 C1CCCN(CC1)CC2=CC=C(C=C2)Br 1 4.025 1 0 3.95695520052061 791415 C1CCCN(CC1)CC2=CC(=CC=C2)Cl 1 3.941 1 0 5.58923744927172 791393 CC1=CC=C(C=C1)CN2CCC3=CC(=C(C=C3C2)OC)OC 1 4.015 1 2 -4.52240714880585 791382 CC1=CC(=C(C=C1)CN2CCN(CC2)C)C 1 2.833 2 0 5.28880524803325 791371 CSC1=CC=C(C=C1)CN2CCCCCC2 1 3.818 1 0 5.79673319550505 791369 CC1=C(C=CC(=C1C)OC)CN2CCN(CC2)C3=NC=CC=N3 1 2.611 4 1 8.50975742369085 791359 C/C=C/C(=O)NC1=CC=CC=C1Br 1 2.798 1 1 -5.33045769433369 791354 C1CSCCN1CC2=CC=CC3=CC=CC=C32 1 3.244 1 0 4.86886508289845 791351 C1CN(CCN1CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=NC=CC=N3 1 2.214 5 2 0 4.27190554274627 791337 C1=CC(=CC=C1C(=O)NCC2=CC=NC=C2)Br 1 2.219 2 1 -7.08896294092053 791324 CCN1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3 1 3.769 2 1 5.30422708741547 791323 C1CN(CCN1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4 1 3.195 3 4 0 3.38887493049312 791321 CN1CCN(CC1)CC2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 1.523 3 4 0 2.06180305506643 791317 COC1=CC=CC(=C1)CN2CCN(CC2)C3=NC=CC=N3 1 1.638 4 1 0 5.9316790252318 791302 C1CCCN(CC1)CC2=CC(=C(C=C2)Cl)Cl 1 4.605 1 0 5.15134118865167 791294 CC1=CC(=C(C=C1)CN2CCSCC2)C 1 3.308 1 0 3.16539460970723 791293 COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C3=CC=CC=C3F 1 3.463 2 3 5.65685377826007 791288 COC1=CC(=C(C=C1)CN2CCN(CC2)C3=CC=CC=N3)OC 1 2.888 3 2 3.83924310708684 791274 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4F 1 3.506 2 2 5.85176649936003 791262 COC1=C(C=C(C=C1)Br)CN2CCCCCCC2 1 4.465 1 1 1.35133239634302 791238 COC1=CC=CC=C1N2CCN(CC2)C(=O)N3CCOCC3 1 1.082 3 3 0 -4.3850553165243 791234 COC1=CC(=C(C=C1)CN2CCC3=CC=CC=C3C2)OC 1 3.528 1 2 -3.27201445177607 791232 C1=CC(=CC(=C1)Cl)NC(=O)NCC2=CN=CC=C2 1 2.043 3 1 -4.36446179086569 791229 C1CSCCN1CC2=CC=CC=C2Cl 1 3 1 0 2.56163826557959 791226 C1CN(CCN1CC2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3 1 2.733 3 3 5.33602431765131 791221 COC1=CC=CC=C1CN2CCC3=C(C2)NC4=CC=CC=C34 1 3.916 2 1 0.256181387554897 791210 CC(=O)C1=CC=C(C=C1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 4.261 0 4 -8.92945083102869 791209 CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C 1 4.273 2 2 8.55156924307084 791168 CC1=CC=CC=C1N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 3.787 2 2 6.27856146928015 791164 CC1=NN=C(S1)SCC(=O)NCC2=CC=CC=C2 1 1.749 3 1 0 -21.2015517779866 791162 CC1=C(C=C(O1)C(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)C 1 1.525 1 5 0 -7.12139590216897 791158 C1CN(CCC1CC2=CC=CC=C2)CC3=CC=CC=C3Br 1 5.309 1 0 6.08402671233017 791112 CC1=CC(=C(C=C1)NC2=NC=NC(=C2)N3C(=CC(=N3)C)C)C 1 3.669 5 0 -2.61775460320614 791111 CC1=CC=C(C=C1)NC2=NC=NC(=C2)N3C(=CC(=N3)C)C 1 3.183 5 0 -1.17353140923121 791101 CN(C1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)N 1 3.31 4 0 3.4285325235187 791095 CCOC(=O)C1=C(N(C2=C1C3=NO[N+](=C3C=C2)[O-])O)C 1 -2.91 3 5 0 1.16118462666271 791084 C1CC2=NON=C2C3=C1N(C(=N3)C4=CC=CO4)O 1 -0.431 4 3 0 2.20121605434246e-002 791078 CCC1=C(N=C(C(=C1C2=CC=CC=C2)C#N)N)C 1 3.094 3 0 -3.7784031213125 791069 COC1=CC=C(C=C1)NC2=CC3=NC4(CCCCC4)[N+](=C3C=C2)[O-] 1 2.662 3 2 1.78409373283478 791064 C1CC2=[N+](N(N=C2C(=O)C1)C3=CC=CC=C3)[O-] 1 1.519 3 2 0 -4.11369731994347 791057 CC(C)CC1=C(C=C(S1)NC(=O)C)NC(=O)C 1 1.377 2 2 0 -4.10410761772506 791051 COC1=CC=CC2=C1OC(=O)C(=C2)C3=NC4=CC=CC=C4N3 1 3.284 2 3 4.00422821363031 791043 CC1=CC(=C(C=C1)C)NC2=C(C(=CC(=N2)C)COC)C#N 1 3.706 3 1 -4.4594336519485 791027 CCN1C(=NNC1=S)CN2CCN(CC2)C3=CC=CC(=C3C)C 1 3.394 5 0 3.21434346973053 790999 C1CCC2=C(C1)C=CC=C2NCC3=CC=NC=C3 1 3.584 2 0 -1.10843139831112 790989 C1CC1C2=NC3=C(C(=C2)C4=CC=C(C=C4)Cl)C(=C(S3)C#N)N 1 4.387 3 0 2.6392352862543 790976 CC1=C(C=C(C=C1)C(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2)[N+](=O)[O-] 1 4.504 2 3 -7.65554182634473 790963 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC=CC4=CC=CC=C43 1 3.373 2 2 -2.93564671935532 790960 CC1=CC=C(C=C1)OCCN2C(=NC3=CC=CC=C32)C 1 3.93 2 1 -1.77916146942152 790959 C1=CC=C2C(=C1)NC(=S)N2CCOC3=CC=CC=C3F 1 4.727 2 1 -1.67671590006752 790942 CC1=C(C=CC(=C1)C(=O)NCCC2=CCCCC2)[N+](=O)[O-] 1 3.746 2 3 -14.1602112739599 790936 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCC2=CCCCC2 1 3.746 2 3 -11.8649061457935 790930 CN1CCN(CC1)CCC(=O)NN=CC2=CC3=C(C(=C2)OC)OCO3 1 0.982 4 4 0 -4.33568053083645 790900 CN1CCN(CC1)CCC(=O)NN=CC2=CC=CC=N2 1 0.508 5 1 0 -1.15657176334736 790878 CCOC(=O)C1=C(C2=C(O1)C=CC=C2OC(=O)C)C 1 2.883 0 5 2.22667009860494 790875 C1COCCN1C(=O)C2=CC(=CC(=C2)Cl)Cl 1 2.26 1 2 -4.53750657190565 790865 CC1=CC=CC=C1OC2=CC=C(C=C2)C3=NC(=NC(=N3)N)N 1 3.16 5 1 6.60235377666107 790863 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=C(C=C3Cl)F)F 1 4.426 1 1 -5.7354644300193 790849 CSC1=CC(=C(C=C1)Cl)C(=O)NCC2=CC=CO2 1 3.009 1 2 -6.51821503878543 790847 CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CO3 1 3.38 3 1 -5.01553976420785e-002 790842 CC(=O)CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C 1 0.306 1 4 0 -15.4729276141704 790824 C1=CC=C(C=C1)N2C(=NN=N2)SC3=NC=C(C=C3)[N+](=O)[O-] 1 2.659 6 2 0 -13.4581129655067 790801 CC1=C(C=C(O1)C(=O)C)C(=O)NC2=CC3=CC=CC=C3C=C2 1 2.803 1 3 -1.40289946928175 790794 C1=CC=C(C(=C1)C=NNC(=O)CSC2=CC=CC=N2)[N+](=O)[O-] 1 2.359 4 3 0 -11.9832163260043 790793 CCOC1=CC2=C(C=C1)NC(=S)N2 1 2.869 2 1 -6.32518584896882 790792 CCC1=C(NC2=C(C1=S)C=C(C=C2)OC)C 1 3.512 1 1 -6.70290029926616 790790 CCC1=C(C2=C(C(=CC=C2)OC)N=C1C)Cl 1 3.889 1 1 -0.55318432145968 790786 CCC1=C(C2=C(C=CC(=C2)Br)N=C1C)Cl 1 4.654 1 0 2.89259087146027 790785 CCCC1=C(NC2=C(C1=S)C=C(C=C2)C(=O)O)C 1 3.614 1 2 -10.6739610091089 790766 CC(C)NC1=NC(=NC(=N1)NC2=CC=CC=C2)Cl 1 2.818 5 0 -5.6471405116591 790742 C1CC(=NNC(=O)C2=CC=NC=C2)C3=CC=CC=C31 1 1.838 3 1 0 -7.55659047209231 790737 CC(=NNC(=O)CC1=CNC2=CC=CC=C21)C3=CC4=CC=CC=C4C=C3 1 3.9 3 1 -4.14295163386992 790732 C1CC(=NNC(=O)C2=CC=CC=C2O)C3=CC=CC=C31 1 2.747 2 2 -3.03053932833711 790727 C1=CC=C(C=C1)CC(=O)NN=CC2=CC=CC=C2F 1 2.923 2 1 -4.32361264814817 790718 CC1=C(N=CC=C1)NC(=O)NC2=CC=CC=C2 1 2.397 3 1 -2.89145747930923 790714 CC1=CC=C(C=C1)NC(=O)NC2=CN=CC=C2 1 1.858 3 1 0 -3.00777427508107 790711 CC1=CC(=NC=C1)NC(=O)NC2=CC=C(C=C2)OC 1 2.381 3 2 -1.87895077869492 790705 CC1=NC(=CC=C1)NC(=O)NC2=CC=C(C=C2)OC 1 2.177 3 2 -2.31284443110284 790701 CC1=C(N=CC=C1)NC(=O)NC2=CC=C(C=C2)OC 1 2.381 3 2 -3.05037532355524 790700 CC1=CC=C(C=C1)NC(=O)NC2=C(C=CC=N2)C 1 2.883 3 1 -2.82570570874491 790697 COC1=CC=C(C=C1)NC(=O)ON=CC2=CC=CC=C2 1 3.035 2 3 0.42134617879338 790682 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N)Br 1 3.768 2 1 14.257658603131 790575 CCOC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OC 1 3.839 1 3 -4.73762595770313 790574 COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OC 1 3.49 1 3 -3.87367290572072 790572 CC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OC 1 3.992 1 2 -3.62947954548601 790567 CC(=O)NC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2 1 2.063 2 2 -10.8509455675656 790566 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N 1 2.2 2 2 -4.52582087891003 790563 CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2 1 4.009 1 1 -3.98439764056453 790561 CCOC(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC 1 3.384 0 5 -6.98422494700356e-002 790559 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NN=CC3=CC=CO3 1 1.66 3 3 0 -15.5603372559578 790557 CC(=O)NC1=CC=CC(=C1)N2CCCC2=O 1 0.532 2 2 0 -13.0766959014865 790545 C1CSC2=NC(=C(N21)N=CC3=CC=CC=C3)C4=CC=CC=C4 1 4.493 3 0 4.02219168599133 790541 COC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.248 3 3 -15.6284687897355 790522 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NN=CC3=CN=CC=C3 1 1.114 4 2 0 -16.6479123785165 790519 CN1C(=C(C=N1)Br)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.246 3 1 0.30370968753384 790502 CCC(=NNC(=O)C1=CC=C(C=C1)N2CCCC2=O)C3=CC=CC=C3 1 2.912 3 2 -17.4785772973115 790501 CC1=CC(=C(C=C1)O)NC=C2C(=O)C3=CC=CC=C3C2=O 1 2.821 1 3 1.90923249377242 790482 CC(=NNC(=O)C1=CC=C(C=C1)N2CCCC2=O)C3=CC=CC=C3 1 2.245 3 2 -18.1568910091282 790479 COC1=CC=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.248 3 3 -15.1717733824414 790478 C1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])NC(=O)C3=CC=CO3 1 2.208 3 6 0 -4.07699019458533 790463 CC1(CC2=NC3=NNC(=C3C=C2CO1)N)C 1 0.637 4 1 0 -8.88276540961438 790454 COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3 1 4.261 1 2 -2.03624852519904 790437 C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CS2 1 1.824 2 2 0 -7.82444496310884 790434 C1CCN(CC1)C2=NC(=NC(=N2)Cl)NCC3=CC=CO3 1 2.404 5 1 -0.771080982714622 790432 C1CCCC(CCC1)NC(=O)C2=CC=CO2 1 3.204 1 2 -6.08848165370555 790430 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=NC=C2 1 1.358 3 3 0 -6.91537696150393 790428 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NCC(=O)OC 1 2.285 5 2 0 -6.93276164916523 790425 C1CCC(C1)NC2=NC(=NC(=N2)N3CCOCC3)Cl 1 1.811 5 1 0 -3.81816911450174 790423 COC1=CC=C(C=C1)CCNC(=O)C2=CN=CC=C2 1 1.775 2 2 0 -8.60150689476442 790421 C1=CC(=CN=C1)C(=O)NCC2=CC=C(C=C2)Cl 1 2.135 2 1 -7.09145955523803 790419 CC1CCN(CC1)C2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4 1 3.138 6 0 -1.53324875332458 790418 CCOC(=O)CNC1=NC(=NC(=N1)NC2=CC=CC=C2)Cl 1 2.148 5 2 0 -6.98963982006109 790416 CCOC(=O)CNC1=NC(=NC(=N1)NC2=CC=C(C=C2)Cl)Cl 1 2.812 5 2 0 -5.8271159926194 790413 CC(C)C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NCC3=CC=CO3 1 4.051 5 1 -1.07498036231865 790411 C1=CC(=CC=C1CNC(=O)C2=CC=NC=C2)Cl 1 2.135 2 1 -5.92301658169277 790409 CC1=C(C=C(C=C1)NC(=O)C2=CC=NC=C2)[N+](=O)[O-] 1 1.844 3 3 0 -7.61860845583787 790407 C1=CC(=CN=C1)NC(=O)C2=CC=CS2 1 1.417 2 1 0 -5.36672738242478 790401 CC1=NC2=C(C=CC=C2OC)C(=C1CC=C(Cl)Cl)Cl 1 4.695 1 1 -0.410120415808622 790340 CC1=CC=CC2=C1NC(=O)C(=C2C)CCC(=O)C 1 2.366 1 2 -9.61377142364094 790333 CC1=CC=CC2=C1NC(=CC2=S)C 1 3.112 1 0 -5.50149747931263 790330 CC1=CC2=C(C=C1)NC(=CC2=S)C 1 3.112 1 0 -4.78011685373608 790317 C1=CC(=CC(=C1)F)C(=O)NC2=NC=C(C=C2)Cl 1 2.873 2 1 -1.35807480500141 790315 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)Cl 1 2.674 1 2 -1.3167883016355 790310 COC1=CC=CC(=C1)NC(=O)C2=CC=CS2 1 2.551 1 2 -4.82624405573546 790307 CC1=C(C(=O)C2=CC=CC=C2N1)CCC(=O)C 1 1.908 1 2 0 -10.5131278547226 790306 C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)Br 1 2.577 1 2 -4.60865111504433 790305 CC1=NC2=C(C=C(C=C2)C(=O)O)C(=C1CCC(=O)C)Cl 1 2.814 1 3 -5.53244774596864 790303 CCOC(=O)C1=CC2=C(C=C1)N=C(C(=C2Cl)CCC(=O)C)C 1 3.388 1 3 -8.86520385560899 790290 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=C(O3)Br 1 3.486 1 2 -5.33803493699983 790283 C1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC=CO2 1 2.805 1 2 -7.38422173571878 790261 C1CCC(CC1)NC(=O)NNC(=O)C2=CN=CC=C2 1 0.91 4 2 0 -11.2808327784748 790260 C1=CC2=C(C(=C1)NC(=O)C3=CC=C(C=C3)F)N=CC=C2 1 3.006 2 1 -5.63148521819856 790256 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CN=CC=C3 1 2.982 2 1 -1.575881356082 790240 CCCC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)CCC 1 3.835 2 2 -7.14597128549716 790237 CC(=O)NC1=CC=CC(=NC(=O)C)N1O 1 -0.465 3 3 0 -5.89296271301806 790234 CC1(CC2=C(C(N1)(C)C)SC(=C2C#N)N)C 1 1.817 3 0 0 -10.9022837228677 790225 C1=CC=C2C(=C1)C=CC=C2OC3=NS(=O)(=O)C4=CC=CC=C43 1 3.752 1 3 2.84611906034145 790224 CC1=CC=CC=C1OC2=NS(=O)(=O)C3=CC=CC=C32 1 3.33 1 3 2.10602688205316 790221 CCN(CC)C(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O 1 2.719 1 3 -11.1835569375643 790215 CC1=CC(=CC=C1)NC(=O)C2=NC(=CC=C2)C(=O)NC3=CC=CC(=C3)C 1 4.078 3 2 -6.10933707638834 790210 CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)Br 1 1.8 3 2 0 -8.36408620229049 790204 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=C(O3)Br 1 2.414 2 4 -7.73091354428148 790197 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CNC4=C3C=C(C=C4)O 1 2.818 2 3 4.4113210005474e-002 790196 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC=CC4=C3N=CC=C4 1 3.709 2 1 -5.44030189394076 790181 CCN1C=CC2=C(C1=S)C=CC(=C2)OC 1 2.688 1 1 -6.28931186981926e-002 790168 CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NCC1=CC=CC=C1 1 3.725 2 1 -8.61695951250918 790158 COC1=CC=C(C=C1)NC(=O)NC(C(F)(F)F)C(F)(F)F 1 2.973 2 2 -8.29617880978621 790157 C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC(=O)NC(=O)N3 1 2.959 4 2 -7.27914083765736 790155 CC1=NN(C(=O)C1)C2=CC(=C(C=C2)Cl)C(=O)O 1 1.417 2 3 0 -7.04236213798405 790153 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=N3 1 2.694 3 3 -6.59437685212145 790151 CC1=CN=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC=C)O 1 3.242 3 3 -6.82664143132028 790149 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(C=CC=N3)C 1 2.974 3 3 -7.86563588274218e-002 790147 CCOC(=O)CC(=O)NC1=NC2=CC=CC=C2S1 1 1.96 2 3 0 -3.35120829274202 790127 COC1=CC=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.373 1 4 -9.72618743648174 790124 COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.245 3 2 -2.40898702667381 790093 COC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)F 1 2.06 2 3 -3.74410908202829 790083 COC1=CC=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)Br 1 3.877 2 2 6.18294556811683 790079 COC1=CC=CC=C1C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.373 1 4 -10.9160557793332 790067 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=CC=C2)O 1 1.613 2 4 0 -6.31460351131508 790062 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)Br 1 2.603 2 3 -7.43299221643575 790061 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=CC=C2)Br 1 2.603 2 3 -7.45385507392314 790060 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC=CC=C2Br 1 2.603 2 3 -6.74000149453828 790059 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 2.519 2 3 -5.97633247133431 790058 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=CC=C2)Cl 1 2.519 2 3 -5.42281194430124 790056 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)F 1 2.06 2 3 -7.08645413645588 790053 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=CC=C2)F 1 2.06 2 3 -7.07119227515656 790052 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC=CC=C2F 1 2.06 2 3 -8.85105860672876 790051 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2OC 1 2.341 2 3 -7.79833116192113 790050 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CC=C2OC 1 2.341 2 3 -7.71787451418792 790049 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC=CC=C2 1 1.855 2 3 0 -8.76239172644288 790032 CC1=CC=C(C=C1)NC(=O)C2=CC(=NN2)C3=CC=CC=C3 1 3.783 3 1 -9.8966843604837e-002 789979 C1=CC=C(C=C1)CC2C(=C(SC(=C2C#N)N)N)C#N 1 1.919 4 0 0 -3.22703120412685 789986 CC(=O)NCC1(CCCC1)C2=CC(=C(C=C2)OC)OC 1 2.379 1 3 -16.5146488629332 789970 COC1=CC=CC(=C1)C(=O)NNC(=O)CC2=CC=CS2 1 1.843 2 3 0 -11.4905467539327 789969 COC1=CC=C(C=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)OC 1 1.541 2 5 0 -9.63169715455411 789961 COC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=N2 1 1.133 3 3 0 -6.43495619747791 789951 COC1=CC=C(C=C1)COC(=O)NNC(=O)C2=CC=C(C=C2)OC 1 2.401 2 5 0 -5.41900468641935 789947 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2 1 2.763 2 3 -5.26370643086169 789941 COC1=CC=CC(=C1)C(=O)NNC(=O)CCC2=CC=CC=C2 1 2.346 2 3 -11.9674254494867 789940 CN1C2=C(C=NC=C2)N=C1C3=CC=CC=C3 1 2.325 3 0 3.63942916336168 789929 COC1=CC=C(C=C1)C(=O)NNC(=O)CC2=CC=C(C=C2)Cl 1 2.554 2 3 -6.2348776245345 789926 COC1=CC=CC(=C1)C(=O)NNC(=O)CC2=CC=C(C=C2)Cl 1 2.554 2 3 -6.78270957479546 789924 COC1=CC=CC=C1C(=O)NNC(=O)CC2=CC=CC=C2 1 1.89 2 3 0 -11.5306148652298 789911 C1=CC=C2C(=C1)C3=CC=CC=C3N2N=CC4=CC=CO4 1 4.569 2 1 2.80062529479356 789910 COC1=CC=CC(=C1)C(=O)NNC(=O)C2=CN=CC=C2 1 0.704 3 3 0 -7.05530482325764 789893 COC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=CC=N3 1 2.406 3 2 6.19748440715803 789891 COC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3 1 1.978 3 2 0 7.08880495815457 789890 CC(=O)CCC1=CNC2=C1C=CC=C2C(=O)O 1 1.974 1 3 0 -6.97896215741101 789880 COC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.373 1 4 -9.03851758199914 789878 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.245 3 2 -2.09168258636298 789874 COC(=O)CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.18 2 2 -9.52599297617963 789865 COC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)F 1 2.06 2 3 -4.04713562958523 789864 COC1=CC=CC(=C1)C2=NC(=NO2)C3=CC=CC=N3 1 2.406 3 2 7.84163862095828 789862 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=N3 1 2.488 3 3 0.233598267582286 789861 COC1=C(C=C(C=C1)CC2=NOC(=N2)C3=CC(=CC=C3)OC)OC 1 3.13 2 4 -3.46617687321453 789859 COC1=CC=CC(=C1)C2=NC(=NO2)C3=CC=NC=C3 1 1.978 3 2 0 8.83035339847961 789846 CCCC1=NN=C(S1)NC(=O)CC(=O)OCC 1 1.193 3 3 0 -12.2292870310359 789843 CCOC(=O)CC(=O)NC1=CC=CC=C1C(=O)O 1 0.965 1 5 0 -9.20702704713993 789838 CN1C=CC(=NC=C(C#N)C#N)C2=CC=CC=C21 1 1.545 4 0 0 0.299676155103885 789812 C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.167 2 3 -3.04806358015807 789810 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.653 2 3 -2.15205394092191 789790 C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O 1 1.335 1 7 0 -4.37611063462673 789775 CC1=C(C(=NC(=N1)SC)NC2=CC=C(C=C2)C(=O)C)CC=C 1 3.596 3 1 -6.93941526991856 789773 CCOC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC=C2)Cl 1 5.092 2 1 -8.33915045077764 789755 C1=CC(=CC=C1SCC(=O)NCC2=CC=NC=C2)Cl 1 2.528 2 1 -7.28589839977423 789743 CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C 1 0.925 3 3 0 -16.5467799103998 789725 CC1=CC=CC=C1CNC(=O)C2=CC=CC=C2 1 3.107 1 1 -9.04613473074056 789722 CC1=CC=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)SC 1 3.352 1 2 -1.3737014348797 789719 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2C 1 3.296 1 2 -3.76711496968332 789712 CC1=CC(=C(C(=O)N1N=CC2=CC=C(C=C2)OC)C(=O)N)C 1 1.433 3 3 0 -6.51595567449273 789709 CC1=CC(=C(C(=O)N1N=CC2=CC(=CC=C2)O)C(=O)N)C 1 1.207 3 3 0 -3.85952970775841 789708 CC1=CC(=C(C(=O)N1N=CC2=C(C=CC3=CC=CC=C32)OC)C(=O)N)C 1 2.341 3 3 -3.03673787049065 789703 CC1=C(N2C=CC=CC2=N1)C(=O)NC3CCCC3 1 1.891 3 1 0 -6.65614173100155 789702 CCNC(=O)C1=C(N=C2N1C=CC=C2)C 1 0.838 3 1 0 -7.10693832366841 789700 CC1=C(N2C=CC=CC2=N1)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.361 3 3 -10.7426460203283 789699 CC1=C(C=C(C=C1)NC(=O)C2=C(N=C3N2C=CC=C3)C)C 1 3.038 3 1 -4.36641604813426 789677 C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)N)N)C4=CC=CC=C4 1 3.747 3 1 -2.1571843618806 789669 CCOC(=O)C1=C(N=C2N([C@@H]1C3=CC=CS3)C(=O)CCS2)C 1 2.65 2 3 -27.2798711292061 789646 CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 1 2.928 2 3 -10.1191984835836 789635 CC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2 1 2.5 2 1 -2.90929384083931 789632 CCC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)N 1 1.529 4 2 0 -5.52233624804544 789625 C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 2.185 3 4 0 -14.1947301890383 789590 CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C=NC4=CC=CC=C43)C 1 3.55 3 1 -3.71265710092127 789561 CC1=C(N=C(C(=C1C)C#N)SCC(=O)N)C 1 1.748 3 1 0 -11.4722347517687 789551 CCC1=C(C(=S)NC(=C1C(=O)NC2=CC=CC=C2)C)C#N 1 2.77 3 1 -10.4120845859263 789538 CC1=C(NC(=C(C#N)C#N)C(=C1C)C#N)C 1 1.134 4 0 0 -5.54732041848834 789530 C1=CC=C(C=C1)CNCC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 3.522 2 1 -0.102443361546164 789519 C1=CC=C(C=C1)P(=O)(CC(=O)NN2C=NN=C2)C3=CC=CC=C3 1 1.655 4 2 0 -8.70308111189204 789467 C1CCC(=NOC(=O)NC2=CC=CC=C2)C1 1 2.321 2 2 0.276886898916998 789466 C1CCC(=NOC(=O)NC2=CC=C(C=C2)Cl)C1 1 2.985 2 2 2.25553972787717 789451 CC1=C(SC=C1)/C=C(\C#N)/C(=O)NCC2=CN=CC=C2 1 2.217 3 1 -14.6096552542702 789431 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(\C#N)/C(=O)NCC2=CN=CC=C2 1 1.672 4 3 0 -16.4483958478432 789422 COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CN=CC=C2)OC 1 1.745 3 3 0 -18.3020597227719 789420 C1COCCN1CC(=O)NN=CC2=CC=CC3=CC=CC=C32 1 1.621 3 2 0 -4.6004032154349 789415 CCCN(CCC)C1=CC=C(C=C1)C=NNC(=O)CN2CCOCC2 1 2.62 4 2 -13.3893004921908 789390 CC(=NNC(=O)COC1=CC2=CC=CC=C2C=C1)C3=CC=CS3 1 3.36 2 2 -6.11020943934996 789379 CC(=NNC(=O)COC1=CC=CC2=CC=CC=C21)C3=CC=CS3 1 3.36 2 2 -8.58216342615161 789354 C1=CC(=CC=C1S(=O)(=O)CCC2=NN=C(S2)N)Br 1 1.856 3 2 0 -8.37611193199771 789347 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=N3 1 0.807 3 4 0 -20.35342578352 789345 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C 1 2.915 2 3 -15.7319162855309 789342 CCP(=O)(C1=CC=CC=C1)C(C)(C)O 1 1.733 0 2 0 -4.06671294828762 789335 CC1=NOC(=N1)COC2=CC=C(C=C2)OCC3=NC(=NO3)C 1 0.802 4 4 0 -1.88840605425576 789333 CC1=NOC(=C1)CN2C(=O)C3=CC=CC=C3C2=O 1 1.26 2 3 0 -5.10610107239159 789326 CC1=CC=C(C=C1)C(=O)COC(=O)CC2=CC=CC=C2 1 3.462 0 3 -9.92296384676715 789317 CCC(=O)OCC(=O)C1=CC=C(C=C1)OCC 1 2.276 0 4 -9.65746699041462 789316 CCOC1=CC=C(C=C1)C(=O)COC(=O)C 1 1.609 0 4 0 -8.00881883261806 789298 CC(C)OC1=CC=C(C=C1)C2=CC(=O)NC(=O)N2 1 1.446 2 3 0 -8.20568410662935 789287 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.492 2 4 -8.31330461058159 789284 CCN(CC)C1=NC(=NC(=N1)SCC(=O)O)N(CC)CC 1 2.011 5 2 0 -10.6209905823512 789283 CC(C)C(=O)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C 1 0.565 2 5 0 -11.5468311438686 789261 C1=C(OC(=C1)Br)/C=C(/C#N)\C(=O)N 1 1.102 2 2 0 -11.6895558549157 789259 CCOC(=O)C(=NNC1=CC=CC=C1OC)C#N 1 2.113 3 3 -1.58238797150117 789258 CC1=CC=CC(=C1)C(=O)ON=C2C3=CC=CC=C3N(C2=O)C 1 2.917 2 3 4.49600484123181 789235 CC(C)CNC(=O)C1=C(C=C(C=C1)OC)OC 1 2.197 1 3 -8.30621056476668 789224 CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.249 1 3 -6.40875112646221 789221 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=C3C(=O)C)C 1 2.992 1 4 -8.67219708596414 789210 C1COCCN1C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 1.49 2 4 0 -5.46425950717368 789186 CN(C)C(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-] 1 1.802 2 3 0 -2.4453513615158 789182 C1CCC(=NNC(=O)C2=CC=C(C=C2)O)C1 1 1.71 2 2 0 -6.27930052490895 789179 CC1=CC=C(C=C1)NC(=S)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 4.544 4 2 -1.79467335510877 789176 CC1=CC(=CC=C1)NC(=S)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 4.466 4 2 -6.52751461364527 789173 C1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.18 2 3 -7.30764408003336 789165 CCOC1=CC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)SC 1 3.557 2 2 -3.69358067631751 789142 CCN(CC1=CC=CC=C1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.735 2 3 -7.23714350590102 789110 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=CC=C3)Br 1 4.099 1 1 -7.38605888321292 789094 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)Br 1 3.347 1 2 -6.69183788307506 789066 CCN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2 1 2.238 3 2 -10.8803830007687 789064 C1=CC(=CC=C1C2=NNC(=S)N2C3=CC=C(C=C3)Cl)Cl 1 5.007 3 0 -1.19897636815365 789041 CC1=CC=C(C=C1)NC(=S)NN=C(C)C2=CC(=CC=C2)N 1 3.806 4 0 -6.40041612041986 789032 C1=CC=NC(=C1)CNC(=O)C2=CC=CO2 1 1.081 2 2 0 -9.04920768067302 789024 C1=CC(=CC=C1N=CC2=CC=C(S2)Br)S(=O)(=O)N 1 2.653 2 2 2.23431281011037 789001 CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)C 1 3.385 1 1 -7.12147178258724 788974 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C 1 4.51 2 1 4.10037259505028 788928 COC1=CC(=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2)OC 1 3.207 2 3 -1.84751070069547 788876 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)NC2=CC=CC=C2 1 3.451 4 1 -8.37994592963215 788870 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=NC=C3 1 1.249 2 3 0 -8.2044695488827 788869 COC(=O)CCC(=O)NN1C(=O)C2=CC=CC=C2C1=O 1 0.102 2 5 0 -14.4512442917006 788868 C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)OCCO3 1 2.682 1 3 -10.1568450304853 788859 CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)OCCO3 1 2.613 1 3 -7.79423063586647 788824 CC1=C(C2=C(N1C(C)C)C=CC(=C2)O)C(=O)C 1 2.699 1 2 -1.00261691796782 788814 C1=CC=C(C(=C1)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 1.256 3 5 0 -19.0387734473863 788813 CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 1.707 3 5 0 -17.0680725642707 788810 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N 1 1.385 2 4 0 -9.9605008828829 788808 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N)C 1 2.778 2 3 -3.64901452653008 788807 C1COCCN1C(=O)NC2=CC=CC=C2C(=O)N 1 -0.158 3 3 0 -10.101817952994 788806 C1=CC=C(C(=C1)C(=O)N)NS(=O)(=O)C2=CC=C(C=C2)F 1 1.525 2 3 0 -5.27288568253374 788801 CCOC1=C(C=C(C=C1)C(=O)NCC2=CC=NC=C2)OCC 1 2.135 2 3 -13.6865815674837 788793 CN(C)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.808 2 2 -1.73926109477472 788792 CC1=C(C=C(C=C1)Cl)NS(=O)(=O)CC2=CC=CC=C2 1 3.475 1 2 -3.5251800220388 788783 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 1.421 2 4 0 -6.05223992770634 788773 CC1=CC(=C2C(=C1)C(=CC(=N2)C)NC3=CC=C(C=C3)C(=O)N(C)C)C 1 4.235 3 1 -0.149128413282122 788761 CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)OC 1 3.478 1 2 -5.12179522337964 788759 CC1=CC=C(C=C1)SCC(=O)NC2=CC=CC(=C2)C 1 3.98 1 1 -3.28580206457753 788751 CC1=CC=C(O1)C(=O)NC2=CC(=C(C=C2)O)C(=O)O 1 1.543 1 5 0 -0.784562183327149 788732 CCOC(=O)/C=C(\C)/NC1=CC(=NN1C2=CC=CC=C2)C 1 2.99 3 2 -4.43471869567925 788728 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32 1 2.385 2 3 -18.7004143110169 788724 CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1)OCC(=O)N(C)C 1 3.113 1 4 -5.99971172674036 788709 CCN1C(=CSC1=NC(=S)NCC(=C)C)C 1 3.062 3 0 -11.5093847424502 788706 CCN1C(=CSC1=NC(=S)NC2=CC=CC=C2C)C 1 4.339 3 0 -9.5675010313378 788704 C1C2(CN3CN1CN(C2)C3)N=CC4=CC=C(C=C4)Cl 1 2.218 4 0 0.30684677490623 788684 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C2=CC=NC=C2 1 2.56 2 2 0.502741923276356 788681 C1=CC=C(C(=C1)C2=NNN=N2)C3=NNN=N3 1 0.768 8 0 0 -0.568885528983573 788676 COC(=O)CNC1=NC(=NC(=N1)NC2=CC=C(C=C2)Cl)Cl 1 2.463 5 2 0 -5.92689196009688 788674 CCOC(=O)CNC1=NC(=NC(=N1)Cl)NC(C)(C)C 1 1.503 5 2 0 -11.999194913292 788673 CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=NC=CS3)N)C 1 1.835 4 1 0 -6.76622926379893 788657 CC1=CC2=CC(=C(N=C2C=C1C)Cl)C=O 1 3.621 1 1 3.06561833835333 788655 CC1=CC(=C(C=C1)N=C2CCCN2CC3=CC=CC=C3)C#N 1 3.62 3 0 -2.59612410743501 788650 CN(CC(=O)NC1=CC=C(C=C1)Cl)C2CCCCC2 1 3.479 2 1 -6.28912571767254 788648 C1CCC(CC1)NCC(=O)NC2=CC=C(C=C2)Cl 1 2.943 2 1 -1.59857124928949 788647 CC1=C(C=CC(=C1)OCC2=NNC(=S)N2C3=CC=CC=C3)Cl 1 4.664 3 1 -3.72260456522741 788639 CCOC1=CC=C(C=C1)NCC(=O)NNC(=S)NC2=CC=CC=C2 1 3.267 4 2 -11.3287911679267 788634 CC1=CC(=CC=C1)NCC(=O)NNC(=S)NC2=CC=CC=C2 1 3.42 4 1 -7.73461734733514 788626 CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4 1 4.157 2 2 -4.04058766736155 788623 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O 1 0.169 2 5 0 -19.9677223362904 788619 CC1=CC(=C(C=C1)C)NCC(=O)C2=CC=C(C=C2)Cl 1 4.531 1 1 -1.05578677931094 788618 CC1=CC=C(C=C1)C(=O)CNC2=C(C=CC(=C2)C)C 1 4.353 1 1 -3.52420016210765 788616 COC(=O)C1=CC=C(C=C1)NCC(=O)C2=CC=CC=C2 1 2.749 1 3 -7.79666064904933 788614 CC1=CC=C(C=C1)C(=O)CNC2=CC=C(C=C2)Cl 1 4.045 1 1 -2.36065880432187 788612 CC1=CC=C(C=C1)C(=O)CNC2=CC=C(C=C2)Br 1 4.129 1 1 -3.81731854942331 788592 COC1=CC=C(C=C1)C(=O)NCCC2=CNC3=C2C=C(C=C3)OC 1 3.203 2 3 -8.78675545589013 788580 C1CC(=O)N(C1=O)CCC2=CNC3=CC=CC=C32 1 1.611 2 2 0 -7.9019798241343 788570 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=CC=CC4=C3N=CC=C4 1 1.685 3 3 0 -9.34017246395015 788569 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2N=CC=C3 1 1.624 3 3 0 -8.96670885750504 788565 C1COCCN1C2=CC=C(C=C2)NCC3=CC=NC=C3 1 1.921 3 1 0 -1.94693652396775 788538 CC1=C(C=C(C=C1)N/C(=C/2\C(=O)CSC2=O)/C)C 1 2.915 1 2 -6.28811419220423 788528 CNC(=S)NNC1=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3 1 4.238 5 0 6.95182788480308 788521 C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N 1 1.335 5 1 0 -10.1696066279821 788520 CCC(=C1C(=O)CCC1=O)NCCC2=CC=CC=C2 1 2.197 1 2 -8.27472888419197 788517 C/C(=C\1/C(=O)CSC1=O)/NC2=CC=C(C=C2)OC 1 1.926 1 3 0 -6.45316558670825 788512 CC1=CC=CC=C1N/C(=C/2\C(=O)CSC2=O)/C 1 2.429 1 2 -8.33842341775229 788510 C/C(=C\1/C(=O)CSC1=O)/NCCC2=CC=CC=C2 1 1.992 1 2 0 -9.10202948638779 788505 C/C(=C\1/C(=O)CSC1=O)/NC2=CC=CC=C2 1 1.942 1 2 0 -6.19685351593746 788502 CC(=O)C1=C(CCC1=O)N2CCCCC2 1 1.078 1 2 0 -6.40097404949048 788501 CCOC1=CC=C(C=C1)NCC(=O)C2=CC=C(C=C2)C 1 3.713 1 2 -5.36184685576086 788497 CC(=O)C1=C(CCC1=O)NCCC2=CC=CC=C2 1 1.53 1 2 0 -5.34245096768245 788481 CC1=CC(=C(C=C1)NCC2=NNC(=S)N2C3=CC=CC=C3)C 1 4.311 4 0 -5.53343463503825 788480 C/C(=C\1/C(=O)COC1=O)/NC2=CC=CC=C2OC 1 1.368 1 4 0 -7.45291132548519 788477 C/C(=C\1/C(=O)COC1=O)/NC2=CC=C(C=C2)OC 1 1.368 1 4 0 -4.60063152287815 788473 C/C(=C\1/C(=O)COC1=O)/NCCC2=CC=CC=C2 1 1.434 1 3 0 -7.24949542255768 788470 C/C(=C\1/C(=O)COC1=O)/NC2=CC=CC=C2 1 1.384 1 3 0 -4.34431945210736 788466 CC1=C(CCC1=O)NC2=CC=CC=C2OC 1 2.219 1 2 -3.38201033679578 788465 CC1=C(CCC1=O)NC2=CC=C(C=C2)OC 1 2.219 1 2 -2.24569748552789 788462 CC1=C(CCC1=O)NCCC2=CC=CC=C2 1 2.286 1 1 -3.25710668664941 788460 CC(=C1C(=O)CCC1=O)NCCC2=CC=CC=C2 1 1.673 1 2 0 -7.51782300066342 788456 CCCC1=NN(C2=C1C(=O)CC(C2)(C)C)C(=O)C3=CC=CC=C3 1 4.183 2 2 -10.4348849410026 788411 CC1=CC=C(C=C1)C(=O)CNC2=CC(=C(C=C2)C)Cl 1 4.531 1 1 -3.10011186061439 788410 CC1=C(C=C(C=C1)NCC(=O)C2=CC=CC=C2)Cl 1 4.045 1 1 -3.70746283378993 788408 CC1=CC=C(C=C1)C(=O)CNC2=CC(=CC=C2)Cl 1 4.045 1 1 -0.594801863483861 788407 CC1=CC=C(C=C1)C(=O)CNC2=C(C=C(C=C2)C)C 1 4.353 1 1 -4.98772546606518 788398 CC1=CC(=O)C2=C(O1)CC(CC2=O)(C)C 1 1.34 0 3 0 -9.8249149285599 788392 CC1=CC(=NN1C2=CC(=C(C=C2O)N3C(=CC(=N3)C)C)O)C 1 2.655 4 2 -2.60358043706897 788368 CC1(CC(=O)C(C(=O)C1)C(=O)C2=CC=CC=C2)C 1 2.151 0 3 -2.30827164547039 788344 CC1(CC(=O)C(C(=O)C1)C(=O)/C=C/C2=CC=CO2)C 1 2.004 0 4 -4.0681661878772 788333 CCNC1=NC(=NC(=N1)NC(=S)N)NC(C)(C)C 1 1.239 7 0 0 -10.1683409799237 788322 CC1=CC=C(C=C1)C(=O)CNC2=CC(=CC=C2)[N+](=O)[O-] 1 3.275 2 3 -5.3996908546344 788319 CC1=CC2=C(C=C1)NC(=O)C(=C2C3=CC=CC=C3)CN4CCCCC4 1 4.168 2 1 -1.9944426229017 788302 CC1=CC2=C(C=C1)NC(=O)C(=C2C3=CC=CC=C3)CC(=O)O 1 2.842 1 3 -6.96480672093166 788293 CCCC(=O)C1=C(CC(CC1=O)(C)C)NC2=CC=CC=C2O 1 3.275 1 3 -9.88409975168091 788287 CCCC(=O)C1=C(CC(CC1=O)(C)C)NC2=CC=C(C=C2)OC 1 3.501 1 3 -13.2280699011224 788284 CCCC(=O)C1=C(CC(CC1=O)(C)C)NC2=CC=CC=C2OC 1 3.501 1 3 -14.3643827523903 788283 CCCC(=O)C1=C(CC(CC1=O)(C)C)N(C)C2=CC=CC=C2 1 3.87 1 2 -11.3157892716178 788274 CCCC(=O)C1=C(CC(CC1=O)(C)C)NCC2=CC=CC=C2 1 3.246 1 2 -14.7334695161025 788273 CC1=C(N=C(N=C1C)NC2=NC3=CC=CC=C3O2)C 1 2.603 4 1 0.554378767253954 788271 CC1=CC2=C(C=C1)OC(=N2)NC3=NC(=C(C(=N3)C)C)C 1 3.09 4 1 1.9774665051321 788269 CC1=CC2=C(C=C1)OC(=N2)NC3=NC(=CC(=N3)C)C 1 2.603 4 1 0.245685922586836 788265 CCOC(=O)CCSC1=NC2=C(C=C(C=C2)OC)C(=N1)C 1 3.021 2 3 -8.30247178732792 788254 C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3=CC=CC4=CC=CC=C43 1 3.206 2 3 -8.2918879378975 788247 CC(=C1C(=O)CC(CC1=O)(C)C)NC2=CC=CC=C2 1 2.537 1 2 -8.0442110385405 788238 CC(=C1C(=O)CC(CC1=O)(C)C)N 1 0.251 1 2 0 -7.91098450304662 788220 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.228 2 3 -7.5176656018802 788212 COC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2OC(F)(F)F 1 4.718 1 3 -6.67990030470699 788210 C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(F)(F)F 1 4.629 2 4 -7.78714865476938 788172 CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)Cl 1 4.446 0 3 5.12147011640656 788171 C1=COC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.021 3 4 0 -19.2081159557077 788168 CC(=O)NC1=C(N(C2=CC=CC=C21)C(=O)C)Cl 1 1.692 2 2 0 -1.80062919462263 788167 CC(=O)N1C2=CC=CC=C2C(=C1Cl)NC(=O)CCl 1 2.225 2 2 -3.73037525443164 788158 CC1=C(C(=C(N1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3)N)C#N 1 3.686 3 1 -9.62772131152367 788156 C1CC2=NC(=CN2C1)SCC3=CC=CC=C3 1 3.103 2 0 -6.46441000102762 788151 C1=CC=C(C=C1)CNC2=C(C(=NC=C2)Cl)C#N 1 2.824 3 0 -3.69663133913901 788149 CCOC(=O)/C(=C\1/C=CN(C=N1)C2=CC=CC=C2)/C#N 1 1.3 3 2 0 -4.81929981436399 788121 CCOC1=C(C2=C(N1)C=CC(=C2)O)C(=O)OCC 1 2.542 1 4 -0.454808333889976 788117 CC(=O)OC1=CC2=C(C=C1)OC=C2C3=CC=CC=C3 1 3.419 0 3 2.59219163827429 788111 C1=CC(=CC=C1C(=O)NNC(=O)C2=CC=NC=C2)F 1 0.926 3 2 0 -3.68528255529302 788110 COC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=NC=C2 1 0.704 3 3 0 -4.81012578990241 788085 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2=CC=CC=C2 1 2.59 2 3 -7.71466681654477 788071 CC1=CC(=O)OC2=CC3=C(C=C12)OCCN3 1 1.957 1 3 0 -8.16821165872027 788070 CC1=CC(=O)OC2=C3CCCN4C3=C(C=C12)OCC4 1 2.841 1 3 -4.82257283519709 788065 C1=CC=C(C=C1)CN2C=CN=C2SCC3=CC=C(C=C3)Cl 1 4.838 2 0 -4.75248109800844 788064 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N 1 0.113 2 4 0 -15.5995583032175 788063 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2=CC=C(C=C2)C(=O)N 1 3.112 3 2 -9.2502760951399 788062 CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC 1 4.909 1 2 3.1651936061538 788060 COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)NC4=CC=CC=C4 1 4.423 1 2 2.84012647076805 788046 CC(C)(C)C(=O)/C=C(/C=C/C1=CC=CC=C1)\N 1 2.845 1 1 -2.62737769423008 788044 CC(C)OC(=O)CN1C2=C(CCCC2)C(=N1)C(F)(F)F 1 3.667 2 2 -7.63112451733442 788042 C1CCC2=C(C1)C(=NN2CC(=O)N)C(F)(F)F 1 2.087 3 1 -3.98714179206775 788041 COC(=O)CN1C2=C(CCCC2)C(=N1)C(F)(F)F 1 2.941 2 2 -5.77070087785267 788039 C1CCC2=C(C1)C(=NN2CC(=O)O)C(F)(F)F 1 2.715 2 2 -5.23283601962133 788035 COC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)C3=CC=CC=C3 1 3.616 2 3 7.15707365134189 788029 CC(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2 1 0.385 3 2 0 -7.66466003856277 788027 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N 1 1.903 2 3 0 -1.5448582781078 788010 C1=CC=C2C(=C1)N=C(O2)SCC(=O)NC3=NN=CS3 1 1.549 4 2 0 -10.9238097210011 787920 CCC(C)(C1=CC=C(S1)C(=O)OC)C2=CC=C(S2)C(=O)OC 1 4.919 0 4 -5.28932774517675 787914 C1CCC(=NO)C2=C(C1)SC=C2 1 2.406 1 1 -3.86116711731162 787894 CC1=CC(=NN1C(=O)CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C 1 2.945 3 2 -17.302112269632 787892 CC1=CC(=NN1C(=O)CNC(=O)/C=C/C2=CC=C(C=C2)OC)C 1 1.867 3 3 0 -12.3086100137377 787888 CC1=CC(=NN1C(=O)CNC(=O)/C=C/C2=CC=CC=C2OC)C 1 1.867 3 3 0 -12.6372933704285 787883 C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)Br 1 3.691 1 1 -6.67571869220692 787868 CC1=CC(=C(N1)C)/C=C(\C#N)/C(=O)NC2CCCCCC2 1 3.044 3 1 -13.2323779147493 787858 CC1=CC(=C(N1)C)/C=C(\C#N)/C(=O)NCC2=CC=CO2 1 1.494 3 2 0 -14.7243604607199 787855 CC1=CC(=C(N1)C)/C=C(\C#N)/C(=O)NC2=CC=CC=C2F 1 2.511 3 1 -13.2564675698326 787843 CC1=CC(=C(N1)C)/C=C(\C#N)/C(=O)NC2CC2 1 1.219 3 1 0 -13.3915155807484 787832 C1CC1NC(=O)/C(=C/C2=CNC3=CC=CC=C32)/C#N 1 2.128 3 1 -10.1154763850863 787796 COC1=CC=CC=C1CC(=O)NC2=CNC(=O)NC2=O 1 -0.505 3 4 0 -16.4168716398781 787773 CCN1CCN(CC1)C(=O)NC2=CC=CC3=CC=CC=C32 1 2.366 3 1 -5.00290574771945 787771 C1=CC(=CC(=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)[N+](=O)[O-] 1 2.544 1 7 0 -5.31988511216401 787769 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2=CN=CC=C2 1 2.959 3 1 -6.14340080964395 787753 COC1=CC(=C(C=C1)OC)NC2=C3C=CC=CC3=NC2=O 1 2.175 2 3 -5.28169769604657 787733 C1CCN(CC1)CC(=O)NN=CC2=CC=CC=C2Br 1 2.69 3 1 -3.81531712694016 787725 CC1=CC=CC=C1CSCC(=O)NN=CC2=CC=CS2 1 3.523 2 1 -12.6524964091411 787714 C1CCC2=C(C1)N=C(S2)NC3=CC=CC4=CC=CC=C43 1 4.038 2 0 -0.270572459114729 787696 COC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O 1 2.301 1 4 -3.85604153362472 787692 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C=C3 1 3.781 2 1 2.03422478402043 787690 CN1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C=C2 1 2.109 2 1 0.950999822624229 787689 C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC=CC=C3C(=O)N 1 2.525 2 2 -4.77628790375959 787681 C1COCCN1CC(=O)NC2=NC=CC=N2 1 -0.614 4 2 0 -9.19739810481881 787678 CCOC(=O)C1=CC=C(C=C1)NCN2C3=CC=CC=C3OC2=O 1 3.189 2 4 -7.82313378328048 787672 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 1.147 1 3 0 -17.2897348385737 787666 C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSCC(=O)O 1 2.695 1 3 -8.95809916801814 787615 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)N2 1 0.507 3 3 0 -20.7154894920344 787591 COC1=CC=CC(=C1)NC(=O)CSCC(=O)O 1 0.896 1 4 0 -10.356597347701 787583 CC1=C2C(=NN=C(C2=C(N1C3=CC=CC=C3N)C)C)C 1 2.106 4 0 -2.0910064866464 787582 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=NC=CS2)C 1 2.773 2 2 -2.7680097746751 787569 CC1=NC2=C(C(=O)O1)SC3=NC4=C(COC(C4)(C)C)C=C23 1 2.281 2 3 -15.085234894777 787560 COC1=C(C=C(C=C1)C2=NC(=CS2)C3=C(C=C(C=C3)O)O)OC 1 3.64 1 4 7.08428326358748 787536 CC1=CC(=C(C(=C1)C)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3)C 1 4.141 4 1 -2.1076317265078 787520 CC1=CC(=C(C=C1)NC(=O)NC2=CC=CC=C2)Br 1 3.757 2 1 -4.64294601143883 787516 CC(C)OC(=O)CCC1=NC2=CC=CC=C2NC1=O 1 1.63 2 3 0 -18.2841610719082 787513 COC(=O)CCC1=NC2=CC=CC=C2NC1=O 1 0.904 2 3 0 -17.9018146648914 787512 CC(=O)NC1=CC2=C(C=C1C(=O)C3=CC=CC=C3)OCCO2 1 2.14 1 4 -9.95841253989203 787504 CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 1.036 3 3 0 -9.14239135692001 787499 COC1=C(C=CC(=C1)SC)C(=O)NC2=CC=CC=N2 1 2.528 2 2 -1.58889340717163 787498 COC1=C(C=CC(=C1)SC)C(=O)N2CCCC3=CC=CC=C32 1 3.876 1 2 -6.09955743127795 787497 CC(C)C(=O)NN1C2=CC=CC=C2CCC3=CC=CC=C31 1 4.485 2 1 -6.96653918034231 787495 CC1=NC(=CC=C1)NC(=O)C2=C(C=C(C=C2)SC)OC 1 2.811 2 2 -1.41009095488532 787494 CC1=NC2=CC=CC=C2C(=C1)NC(=O)CC3=CC=CC=C3 1 3.118 2 1 -4.46970450990033 787475 COC1=C(C=C(C=C1)C2(CCOCC2)C(=O)NC3CCCCC3)OC 1 3.005 1 4 -15.637792988521 787459 CC1=CC=C(C=C1)C(=O)C2=COC3=C2C=C(C=C3)O 1 3.782 0 3 5.36784749527884 787457 CN(C)/C=C/C1=C(C(=O)N=CN1CC2=CC=CC=C2)C#N 1 1.041 4 1 0 -2.21442515899196 787456 CCOC(=O)/C(=C\1/C=CN(C=N1)C2=CC=C(C=C2)C)/C#N 1 1.786 3 2 0 -4.55799661922175 787446 C1=CC=C(C=C1)NC2=C(C(=O)NC=C2C=O)C#N 1 0.216 3 2 0 -4.71663502888211 787442 CC1=C(CCC(=O)N1C2=CC=C(C=C2)OC)C(=O)C 1 1.669 1 3 0 -10.2329470361033 787437 C1CN(CC2=C1C(=C(SC2=S)N)C#N)CC3=CC=CC=C3 1 3.052 3 0 -0.682880603628193 787430 CCCN1C2=CC=CC=C2N=C1NCC3=C(C(=CC=C3)OC)O 1 3.627 3 2 -1.7075438348446 787426 CN1C2=CC=CC=C2N=C1NCC3=C(C=C(C=C3)OC)O 1 2.754 3 2 3.76838036140742 787417 CN1C2=CC=CC=C2N=C1NCC3=C(C=CC4=CC=CC=C43)O 1 3.679 3 1 5.09285686450441 787406 CC1=CC(=C(C=C1)O)CNC2=NC3=CC=CC=C3N2C 1 3.257 3 1 4.30411169262532 787402 CC1=CC(=C(C=C1)O)CNC2=NC3=CC=CC=C3N2 1 3.051 3 1 7.76253935338776 787396 C1CCN(CC1)C(=O)CSC2=NC=C(C(=N2)N)C#N 1 0.968 5 1 0 -12.2230814954303 787384 C1=CC(=CC=C1C(=O)COC(=O)C2=CC=NC=C2)[N+](=O)[O-] 1 1.685 2 5 0 -11.5510306365853 787382 C1=CC(=CC=C1C(=O)COC(=O)C2=CC=NC=C2)Br 1 2.539 1 3 -9.09129390374272 787348 COC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 1.807 1 5 0 -7.60023086143474 787338 CCC(C)(C)C(=O)NC1=NC(=CS1)CC(=O)OCC 1 2.617 2 3 -10.7156194755047 787333 CCOC(=O)CC1=CSC(=N1)NC(=O)CC2=CC=CS2 1 2.267 2 3 -12.9751126005591 787329 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)N3CCOCC3)C 1 2.07 3 2 1.08192289731877 787314 CC1=NN=C(S1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 -0.729 7 3 0 -26.8538764791412 787304 CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OC(=O)C 1 1.117 3 3 0 -13.3298345091767 787303 CC(=O)NC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)OC 1 0.691 2 4 0 -10.1505718366088 787302 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)NC(=O)C 1 1.399 3 4 0 -14.1331770927932 787300 CC(=O)NC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OC 1 0.691 2 4 0 -12.7085371301224 787295 CN(C)C1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.551 2 3 -11.2868377514677 787285 CCOC(=O)CC1=CSC(=N1)NS(=O)(=O)CC2=CC=CC=C2 1 1.989 2 4 0 -11.0631056080068 787282 CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)F 1 1.257 3 2 0 -8.01754812231062 787280 CS(=O)(=O)N1CCN(CC1)C(=O)COC2=CC=CC=C2 1 8.6e-002 2 4 0 -18.2447464280273 787279 COC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3 1 2.143 2 3 -12.8173810345548 787271 C1CN(CCN1C(=O)C2=CC=NC=C2)C(=O)C3=CC=CC4=CC=CC=C43 1 1.883 3 2 0 -4.43811302414264 787270 CS(=O)(=O)N1CCN(CC1)C(=O)COC2=CC3=CC=CC=C3C=C2 1 0.995 2 4 0 -15.2099915578307 787269 C1CN(CCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CN=CC=C3 1 0.869 4 4 0 -8.99179430905663 787265 C1CN(CCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CS3 1 1.973 3 4 0 -11.864083337939 787253 COC1=C(C=C(C=C1)C(=O)NCCC2=CNC3=CC=CC=C32)OC 1 3.203 2 3 -14.6369395917746 787250 C1=CC=C(C=C1)C2=C(C=C(C=C2C(=O)O)C(=O)O)C(=O)O 1 2.237 0 6 -0.315667914668033 787242 COC1=CC(=C(C=C1CNC2CCCCCC2)OC)OC 1 3.633 1 3 -0.691290642367486 787239 CCS(=O)(=O)C(=C1NCCO1)S(=O)(=O)CC 1 0.173 1 5 0 -10.7651571006877 787228 CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 1.836 1 6 0 -11.3476035266448 787224 C1CCN(CC1)NC(=O)C2=CN=CC=C2 1 0.518 3 1 0 -7.84965802306209 787219 CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C 1 2.045 2 3 -13.2375004421673 787208 CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43 1 4.179 2 1 -1.45538803021298 787198 CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3F 1 3.476 2 1 -0.353641637246632 787192 C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O 1 2.138 2 5 0 -6.30725655690906 787181 CS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2C(F)(F)F 1 1.853 2 2 0 -10.1797830619092 787171 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C 1 2.116 2 2 -16.3552855247727 787169 CCOC1=C(C=CC(=C1)CN2CCN(CC2)C(=O)C3=CC=CO3)OC 1 2.496 2 4 -6.14731458370204 787153 CS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-] 1 0.805 3 4 0 -11.1691268673213 787151 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO 1 -0.369 2 6 0 -10.9138130506181 787100 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.019 3 4 0 -6.09243374450895 787091 C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Br)NN 1 3.243 4 0 12.5153494636395 787042 COC1=CC=CC=C1NC(=O)C2=CN=CC=C2 1 1.447 2 2 0 -9.56659937990672 787029 C1=CC(=C(C=C1Cl)C2=CC=C(O2)C=NNC(=S)N)Cl 1 4.333 3 1 2.96358450900032 787022 CN(C)C1=CC=C(C=C1)C(=O)N2CCCC2 1 1.867 2 1 0 -7.14381388123585 786990 CC1=C(C=CC(=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-] 1 4.282 2 3 -4.97436412690225 786964 COC1=C(C=C(C=C1)CCNC(=O)NC2CCCCC2)OC 1 3.099 2 3 -14.2767362468826 786911 COC1=CC=CC(=C1)C(=O)NCC2=CN=CC=C2 1 1.454 2 2 0 -10.5113792219691 786894 COC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC=N3 1 3.059 3 1 8.89223832819562 786884 C1=CC=C(C=C1)C(=O)CC(CC(=O)C2=CC=CC=C2)C(=O)O 1 2.83 0 4 -4.74852864516988 786865 C1=CC=C2C(=C1)C(=O)N(C2=O)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.59 3 5 0 -10.7136757915666 786815 C1CCC(CC1)C2=NNC(=C2)CN3CCCCC3 1 3.751 3 0 -1.0633150168052 786803 C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)O 1 2.251 0 6 -2.08010567225667 786802 CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)O)C 1 3.964 0 2 1.26080511625541 786799 CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC(=C3)C 1 5.465 0 3 -1.44541011351007 786796 CC1=CC=CC(=C1)C(=O)ON=CC2=CC=C(C=C2)Br 1 4.378 1 2 0.163400087396481 786787 C1=CC(=C(C=C1Br)SCCC2=CC=NC=C2)F 1 4.079 1 0 3.00559227807325 786782 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)N)C(=O)O 1 0.702 2 4 0 -1.69766475742947 786781 COC1=CC=CC=C1N2C(=O)C3=C4C(=C(C=C3)C(=O)O)C=CC=C4C2=O 1 2.96 1 5 -3.79304141907897 786773 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2C(=O)O 1 2.16 1 4 -11.5780837003679 786772 C1COCCN1CC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3 1 2.382 2 2 -8.41534665123605 786769 C1CCC(C1)NC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 2.201 2 2 -6.59489846151397 786754 CC(C)NC(=O)C1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C 1 2.464 2 3 -19.5445955570505 786749 COC(=O)C1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C 1 2.385 1 4 -13.0914228655829 786738 COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2)OC 1 4.201 2 3 -10.0560151228556 786726 COC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F 1 4.423 2 2 -5.3197921646299 786721 C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F 1 4.439 2 1 -5.06348009385911 786716 C1COCCN1C(=S)NC(=O)/C=C/C2=CC=C(C=C2)F 1 2.808 2 2 -10.2153258407224 786715 C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CN=CC=C2)O 1 2.373 3 2 -6.23672139928477 786707 CCN(CC)C(=S)NC(=O)C1=CN=CC=C1 1 1.994 3 1 0 -12.0172974625571 786704 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)/C=C/C2=CC=CO2 1 3.523 3 4 0 -8.43671165738302 786702 C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 3.629 2 2 -6.53734606131127 786693 C1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=CO2 1 3.227 2 2 -10.0235011318742 786688 CC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2 1 3.973 2 2 -9.50532932883203 786686 C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2O 1 3.992 2 2 -1.81949160030825 786682 C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2 1 4.234 2 1 -6.24033239845696 786671 CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)O1 1 2.781 1 2 -0.678925738926742 786651 C1=CC=C2C(=C1)N=CN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.889 3 2 -8.64224974733195 786649 C1=CC=NC(=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.24 3 1 -0.458591981031589 786636 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC)C3=CN(N=C3)C4=CC=CC=C4 1 3.59 2 3 3.51068658608299 786620 CCC1=CC(=C(S1)NC(=S)NC(=O)C)C(=O)OCC 1 2.905 2 3 -14.1891685679262 786617 CCOC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)O)C(=O)C)C 1 3.881 1 3 -0.798037670072244 786607 CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(O2)Br 1 2.965 0 4 -8.43048522047845 786596 CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C 1 2.591 1 3 -7.39324305158275 786590 CC1=C(SC(=C1C(=O)NC2=CC=CC=C2)NC(=O)C(C)C)C 1 3.282 2 2 -14.1002601667544 786578 CC(=O)NC1=CC=C(C=C1)/C=C\2/C(=O)C3=CC=CC=C3S2 1 2.815 1 2 -4.31388757153241 786577 CCCN1C2=C(N=C1N3CCOCC3)N(C(=O)NC2=O)C 1 0.338 5 3 0 -7.69579171067664 786532 CC(C)(CN1CCCCC1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.043 2 2 -5.37792918901877 786536 CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)CN2CCCCC2 1 2.865 2 2 -7.19992787960558 786537 C1=CC=C(C=C1)C(=O)NCS(=O)(=O)C2=CC=CC=C2 1 2.195 1 3 -11.9367885140091 786538 CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)CN2CCNCC2 1 1.369 3 2 0 -11.9004096154131 786574 C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=C(O3)Br 1 2.635 3 2 -2.49893231871268 786570 C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)NC2=S 1 4.467 2 1 -2.7676419068204 786564 CC1=C(SC2=C1C(=O)OC(=N2)C3=CC=CO3)C 1 2.954 1 3 -5.21605774107934 786550 C1=CC=C(C=C1)C2=NC(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4O 1 4.367 3 1 2.96504821531182 786516 C1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2C=CC=C3Br 1 4.271 1 1 -3.13392136439932 786482 CC(C)NC(=O)C1=CC=C(C=C1)CN2CCC3=CC=CC=C3C2 1 3.496 2 1 -14.6017618222836 786467 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=[N+](C=C2)[O-] 1 0.475 2 4 0 -11.2506388142966 786463 COC1=CC=CC=C1NC(=O)C2=CC=[N+](C=C2)[O-] 1 0.603 2 3 0 -11.8736881804432 786462 COC1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)[O-] 1 0.603 2 3 0 -6.7874440395028 786461 C1=CC=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)[O-] 1 0.626 2 2 0 -10.1723450068838 786458 CC1=CC=C(C=C1)NC2=NC(=CS2)C 1 2.508 2 0 3.0145201264365 786457 CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 3.872 1 4 -7.53885691527082 786453 C1COCCN1CCOC(=O)C2=CN=CC=C2 1 0.361 2 3 0 -8.27135875712642 786430 CN1C2=CC=CC=C2N=C1C3=CC=NC=C3 1 2.325 3 0 4.65726879564179 786429 CC(=O)CC1=CC=CC=C1OCC(=O)O 1 1.06 0 4 0 -8.53789658198946 786425 CC1=C(C=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCCO3)C 1 3.208 1 4 -9.09329855819658 786412 C1CCN(CC1)C(=S)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl 1 6.118 1 1 4.37884198879974 786411 C1COCCN1C(=S)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl 1 4.889 1 2 2.81054553902415 786409 C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)NC(=O)C4=CC=CC=C4 1 3.572 3 1 -4.78482899315011 786407 C/C=C/C(=O)N1C2=CC=CC=C2C(=CC1(C)C)C 1 3.506 1 1 -3.72034867898241 786405 COC1=CC=CC=C1NS(=O)(=O)/C=C/C2=CC=CC=C2 1 2.243 1 3 2.96025330378073 786403 CC1=CC=C(C=C1)NNS(=O)(=O)C2=CC=C(C=C2)C 1 3.312 2 2 -3.8642722289966 786395 COC1=NC(=C(O1)N2CCOCC2)C#N 1 0.534 3 3 0 -7.26553631244543 786394 CC(C)(C)C(=O)NC(=C(Cl)Cl)C(=O)N 1 0.977 2 2 0 -8.30186639389295 786378 CN(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.759 1 2 -6.11469127790153 786376 CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C 1 4.101 1 3 -2.71346678224097 786375 CC1=CSC(=N1)NC(=O)C2=CC=CS2 1 1.847 2 1 0 -5.91646586209456 786372 CC1=CSC(=N1)NC(=O)C2=CN=CC=C2 1 0.743 3 1 0 -7.39225668670662 786368 COC1=CC=CC=C1OC2=CC=C(C=C2)OC3=CC=CC=C3OC 1 4.917 0 4 0.486442786008298 786365 C1=CC(=CC=C1O)OC2=CC=C(C=C2)OC3=CC=C(C=C3)O 1 4.466 0 4 4.88243971844291 786355 CCC1=NN=C(S1)NC(=O)C2=NC=CN=C2 1 0.143 5 1 0 -15.7527312633288 786352 CCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.732 1 4 -9.6256994700916 786347 C1=CC=C(C=C1)NC(=O)OC2=CC(=CC=C2)Br 1 3.918 1 2 -0.308370551805867 786267 CC1=NN(C(=C1)N)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.611 4 2 0 -2.35865958217683 786264 CC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C 1 1.397 2 2 0 -10.9665366938488 786261 CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43 1 4.179 2 1 1.01124370446357 786238 CC1=C(C(=C(C(=S)N1)C#N)C2=CC=C(C=C2)Cl)C(=O)C 1 2.956 2 1 -4.44691297800333 786232 C1=CC(=C(C=C1[N+](=O)[O-])C=NNC(=S)N)Cl 1 2.358 4 2 -2.99632465583119 786225 CCN1CCN(CC1)CC(=O)NN=CC2=C(C=C(C=C2)F)F 1 1.742 4 1 0 -2.12272749063967 786215 C1CSCCN1CC(=O)NN=CC2=C(C=C(C=C2)F)F 1 1.868 3 1 0 -1.98473491170818 786201 C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)F)Br 1 3.637 2 1 -3.64229228498453 786194 C1CCCN(CC1)CC(=O)NN=CC2=C(C(=CC=C2)Cl)Cl 1 3.727 3 1 -1.26911901880778 786193 CC1=CC=CC(=C1)C=NNC(=O)CN2CCCCCCC2 1 3.341 3 1 -3.55736255558652 786192 CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)N)N 1 3.12 4 0 6.07520769462113 786140 COC1=CC(=C(C=C1)OC)C=NNC(=O)CN2CCSCC2 1 1.424 3 3 0 -5.71801951985374 786111 COC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2)OC 1 3.207 2 3 -6.77955843338503 786095 CCOC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N3C=CN=C3C 1 2.576 2 3 -3.25674591656724 786094 CCCC(=O)C1=C(C=C(OC1=O)C)NC 1 0.885 1 3 0 -13.1623909451897 786092 CCOC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.875 1 4 0 -13.9779693730952 786091 CCOC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.105 1 3 -12.0197866516455 786088 C1CCCN(CC1)CC(=O)NN=CC2=CC3=CC=CC=C3C=C2 1 3.307 3 1 -3.15969627896411 786085 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)Br 1 2.454 2 2 -2.04927792964351 786080 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CC=CC=N2 1 1.356 2 4 0 -6.90947184762561 786063 CCOC(=O)/C(=C/C1=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])C)C)/C(=O)C 1 2.731 2 5 0 0.954572811294062 786062 CC1=CC(=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2)C 1 2.146 2 2 -3.39158440242136 786059 CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)N2C=C(N=C2)C 1 2.021 2 4 -8.31569551601905 786057 CC1=C(C=C(C=C1)S(=O)(=O)N2C(=CC(=N2)C)C)C 1 3.031 2 2 -8.77285961991706 786051 CC(C)C1=NC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)OC 1 3.112 2 3 -7.10712891265308 786044 C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)N2C=CN=C2)Cl 1 1.633 3 4 0 -5.84363215911651 786042 CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 3.065 1 4 -4.36936012199188 786039 CS(=O)(=O)NC1=CC=CC=C1C(=O)O 1 0.37 1 4 0 -7.82814768789639 786037 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C 1 3.548 2 2 -9.99625569535126 786035 C1CCCN(CC1)CC(=O)NN=CC2=CC(=CC=C2)Cl 1 3.063 3 1 -2.09399844554067 786021 CC1=CSC(=N1)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 2.453 3 3 -4.44742956620104 786020 CC1=CSC(=N1)NC(=O)C2=CC=CO2 1 1.289 2 2 0 -4.50324347832485 786016 C1=COC(=C1)CNS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.835 1 3 -3.10711818858882 786012 C1CCCN(CC1)CC(=O)NN=CC2=CC(=C(C=C2)Cl)Cl 1 3.727 3 1 -4.12450487506956 786007 C1CSCCN1CC(=O)NN=CC2=CC(=C(C=C2)F)F 1 1.868 3 1 0 -4.49394309132507 785994 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2N=CC=C3)OC 1 2.768 2 3 -11.3143325932702 785988 CC1=CC(=C(C(=C1)Cl)NC(=O)CCCC(=O)O)C 1 2.888 1 3 -9.76082940126435 785978 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CC3=CC=CS3 1 4.221 1 1 -12.531892763567 785977 CC1=NN=C2N1C(CC3=CC(=C(C=C32)OC)OC)(C)C 1 2.21 3 2 -4.79826593732597 785974 COC1=C(C=C(C=C1)CCNC(=O)CC2=CC=CS2)OC 1 2.898 1 3 -15.2278595885326 785958 CC1=CC(=NN1C(=O)C2=CC=CC=C2Cl)C 1 3.02 2 1 -7.76733382353455 785954 CCN(CC)C(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2 1 2.726 2 2 -14.1618909237082 785953 CCNC1=NC(=NC(=N1)N2C(=CC(=N2)C)C)NCC 1 1.533 7 0 0 -5.12311178936786 785951 CC1=CC(=NN1C2=NC(=NC(=N2)C)N)C 1 0.851 6 0 0 -3.7481457274985 785950 CC(C)NC1=NC(=NC(=N1)OC)N(CC(=O)OC)C#N 1 0.736 6 3 0 -15.2620583389517 785949 CCNC1=NC(=NC(=N1)SC)N(CC(=O)OC)C#N 1 0.917 6 2 0 -9.31762123013865 785944 CN1CCN(CC1)CC(=O)NN=CC2=CC(=C(C=C2)F)F 1 1.393 4 1 0 -2.37053245299904 785929 C/C(=C(/C#N)\C(=O)N)/NC1=CC=C(C=C1)Cl 1 1.658 3 1 0 -8.10710372467011 785922 COC(=O)C1=CC=CC=C1C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3 1 4.252 1 3 -8.12227616505166 785916 C1OC2=C(O1)C=C(C=C2)NC(=O)CCC3=CC=CC=C3 1 2.873 1 3 -10.2071486959778 785909 CC1=C(C=CC(=C1OC)CN2CCC3=C(C2)NC4=CC=CC=C34)OC 1 4.386 2 2 4.83602165715688 785906 CCOC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.722 1 4 -9.80474073370716 785900 C1CN(CCN1CC2=CC=CO2)C3=CC=CC=C3Cl 1 3.379 2 1 5.54689370962635 785894 C1COCCN1C(=O)C2=CC3=C(C=C2)OCO3 1 0.699 1 4 0 -8.37460938865684 785891 CN1CCN(CC1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.076 3 2 0 -0.102251819548204 785889 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC=NC=C2 1 2.461 2 4 -10.9633331687984 785885 C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-] 1 3.134 3 3 -5.83270009181936 785883 CC1=NC(=CC=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.521 2 3 -4.59277992488905 785874 CCOC(=O)C1CCN(CC1)CC2=C(C=C(C=C2)OC)OC 1 2.547 1 4 -2.89742951849678 785868 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.586 1 5 -10.3150729595327 785863 C1CCC(=CC1)CCNC(=O)/C=C/C2=CC=CC=C2 1 3.833 1 1 -9.4668140097704 785847 CC1=C(C=CO1)C(=O)NC2=CC3=C(C=C2)OCO3 1 1.632 1 4 0 -5.96848236973232 785841 C1CSCCN1CC2=CC=C(C=C2)Br 1 3.084 1 0 3.82791965255941 785832 C1CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3 1 1.473 1 3 0 -6.45184442471317 785812 CC1=CC=C(C=C1)CN2CCSCC2 1 2.822 1 0 3.46258070707403 785810 CCOC(=O)C1=C(N(N=C1)CC2=CC=CC=C2)N 1 1.645 3 2 0 -9.89637535204975 785804 CC(=O)NC1=CC=C(C=C1)CN2CCCCCC2 1 2.397 2 1 -1.89902354226261 785767 C1CCCN(CCC1)CC2=CC=C(C=C2)F 1 3.938 1 0 4.30349328050048 785763 C1CCCN(CC1)CC2=CC(=CC=C2)C(F)(F)F 1 4.219 1 0 6.69317898545886 785756 CC1(CC2=CC=CC=C2C(=N1)NN=C3CCCC3)C 1 2.869 3 0 -3.65246189974859 785754 CN(C)C1=NC(=NC(=N1)NN)NC2=CC=C(C=C2)F 1 0.807 7 0 0 -0.15423750261643 785751 CCN1CCN(CC1)CC2=CC=CC=C2C 1 2.695 2 0 1.43278051425784 785748 C1CN(CCC1CC2=CC=CC=C2)CC3=CC(=CC=C3)Cl 1 5.225 1 0 9.44028025757599 785747 CC1=CC=CC=C1NC2=NC3=NON=C3N=C2N4CCOCC4 1 1.196 6 2 0 -14.6791266676814 785727 CN(C1=CC=C(C=C1)OC)C2=NS(=O)(=O)C3=CC=CC=C32 1 2.386 2 3 -1.52754893146152 785722 CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=CC=C(O3)C(=O)O 1 4.932 0 4 -2.83865062784707 785711 CC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(O3)[N+](=O)[O-] 1 3.219 3 3 6.59733382922772 785642 CC1=CC=CC=C1C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 3.141 3 3 -3.56475989984339 785690 CC1=C(C=CC(=C1C)OC)CN2CCN(CC2)C3=CC=CC=C3 1 4.489 2 1 8.77146271611347 785682 C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)O 1 2.279 1 3 -7.38093016972953 785679 CCN(CC)C1=CC=C(C=C1)C=NN2CCOCC2 1 2.111 3 1 -5.93100814364406 785659 CCN1C2=C(C=C(C=C2)C=NO)C3=CC=CC=C31 1 3.704 2 1 6.30694233383902 785618 CN(C)C(=O)C1=CC=C(C=C1)N/C=C(\C=O)/C2=NC3=CC=CC=C3O2 1 2.115 3 3 -2.93541018903629 785610 C1=CC2=C(C(=C1)SC3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2 1 4.029 2 2 -0.251947840719123 785602 CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3OC2=O 1 3.183 1 4 -3.31140540263837 785593 CC(=O)NC1=CC=C(S1)NC(=O)C 1 -1.9e-002 2 2 0 -3.75165824246837 785590 CC1=CC(=C(C=C1)C)NP(=O)(C)OC2=CC=CC=C2 1 3.346 1 2 5.28070976091707 785587 COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)NN)OC 1 0.989 4 3 0 -3.25673858707619 785582 CC1=NN(C=C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.495 3 3 0 -17.1868949405593 785578 C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)Cl 1 2.74 1 1 -4.09373505305878 785565 CN1CCN(CC1)CCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 3.496 2 1 -0.601724385678996 785544 COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=CC=CC=C3 1 4.661 3 1 -5.87402389358296 785533 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=CC=C3 1 4.417 3 1 -11.0943345409561 785529 C1CN(CCN1CCO)C(=S)NC2=CC=CC=C2 1 2.466 3 1 -7.20748972361653 785525 C1CCCN(CCC1)C(=S)NC2=CC=CC=C2 1 4.877 2 0 -10.7763907133103 785520 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.629 3 2 -10.2259190686965 785514 C1CN(CCC1CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3 1 5.705 2 0 -7.06733292714352 785513 CN1CCN(CC1)NC(=S)NC2=CC=CC=C2 1 2.112 4 0 -2.92821054446232 785510 C1CCN(CC1)CCNC(=S)NC2=CC=CC=C2 1 3.568 3 0 -8.19421475080719 785496 COC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC=CC=C3)OC 1 4.673 2 2 -15.4342126508414 785488 C1CN(CCC1NC(=S)NC2=CC=CC=C2)CC3=CC=CC=C3 1 4.206 3 0 -3.58490973996017 785474 CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=CC=C2 1 3.724 2 2 -14.8245707933198 785464 CCOC(=O)C1=CC=C(C=C1)NP(=O)(C)OC2=CC=C(C=C2)F 1 2.783 1 4 1.56279166921645 785461 CP(=O)(NC1=CC=CC=N1)OC2=CC=C(C=C2)Cl 1 2.427 2 2 7.11659428688614 785460 CC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2)Cl 1 4.36 1 2 1.46968259301437 785455 C1C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)O1 1 2.796 2 3 -3.85455324173496 785454 C1=CC=C(C=C1)P(=O)(CC2=CC=CC=[N+]2[O-])C3=CC=CC=C3 1 3.204 1 2 -4.90796760383653 785453 CCN(CC)CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 4.237 1 1 -4.4928562050675 785452 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CN=CC=C2)OC 1 1.899 2 3 0 -8.52487193054315 785435 CCN(CC)P(=O)(N(CC)CC)OC1=CC=CC(=C1)C 1 2.783 2 2 0.783604701887469 785427 CC1=CC(=C(C=C1)NP(=O)(C)OC2=CC=CC=C2)C 1 3.346 1 2 4.68562876437233 785375 CC1=NC(=C(C(=C1)COC)C#N)N2CCOCC2 1 1.033 3 2 0 -6.31854474623899 785362 COC1=CC2=C(C=C1)C(=CN2)CC#N 1 2.02 2 1 -0.421280986635075 785326 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=NC=C4 1 3.125 3 1 -3.65388409046234 785316 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3F 1 3.764 2 1 -1.80494360802305 785308 C1=CC=C(C=C1)CCSC2=NC3=C(N2)C(=NC=N3)N 1 2.543 5 0 -2.45747018541065 785306 C1=NC2=C(C(=N1)N)NC(=N2)SCCC(=O)O 1 0.368 5 2 0 -10.2915438183566 785305 CC1=CC(=CC=C1)NC(=O)C2(CCCC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.45 2 3 -6.57687613022677 785272 C1=CC=C2C(=C1)C(=O)N(C=N2)C3=C(C=C(C=C3)Br)[N+](=O)[O-] 1 3.175 3 3 -3.62890948129218 785253 CCOC(=O)C1=C(C2=C(S1)N=C3CCCCCN3C2=O)C 1 2.971 2 3 -18.2501903841228 785218 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)O 1 2.228 1 4 -7.77627346369293 785211 CC1=CC(=CC=C1)NC2=NC3=C(S2)CCCC3 1 3.616 2 0 1.48341436544209 785151 CC1=NNC(=S)N1C2=CC=CC=C2 1 2.014 3 0 -5.0922693987479 785142 CS(=O)(=O)N(CC(=O)N1CCOCC1)C2=CC=CC=C2 1 -0.1 2 4 0 -15.1277829461434 785141 C=C(CN1C=NC2=CC=CC=C21)Br 1 2.62 2 0 -5.22116862544712 785135 CC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC=C2C)C)S(=O)(=O)C 1 3.042 2 3 -14.6119934761239 785133 CC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C)C)S(=O)(=O)C 1 3.042 2 3 -14.6292261764144 785129 CCOC(=O)C1=C(SC(=C1C)C(=O)OC)N 1 1.707 1 4 0 -3.48288408282162 785092 CCC1(C(=N)N(C(=O)NC1=O)C)CC 1 1.005 3 2 0 -5.71078751793371 785049 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NNC(=O)C3=CC=NC=C3 1 1.758 3 4 0 -13.6889230945432 785047 CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O 1 3.114 1 4 -7.33844212718094 785044 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3CCCCC3 1 3.934 1 3 -13.7277549783999 785027 COC1=CC=CC=C1NC2=NC(=CS2)C3=CC=CS3 1 3.623 2 1 5.0264328998155 785023 COC1=NC(=NC(=N1)NC2=CC(=CC=C2)[N+](=O)[O-])OC 1 2.283 5 4 0 -5.49961095563101 785022 CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.277 2 1 -2.19630962597874 785020 CC1=C(SC(=C1C#N)NC(=O)CCC(=O)O)C 1 1.092 2 3 0 -17.5227616166659 785017 CC(=O)C1=CC(=CC=C1)NC2=NC(=CS2)C3=CN=CC=C3 1 2.276 3 1 2.66561041825349 785002 CC1=C(C=C(C=C1)C(=O)CSC2=NC(=CC(=O)N2)O)C 1 3.122 2 3 -10.3623712820013 785000 CC1=CC(=O)N=C(N1)SCC(=O)N2CCCCC2 1 1.151 3 2 0 -19.9656618728661 784995 CC1=C(C=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)C)C 1 3.196 2 2 -13.4024640000829 784994 CC1=CC(=NC(=N1)SCC(=O)C2=C(C=C(C=C2)O)O)C 1 2.451 2 3 -1.71720051079988 784992 CC1=C(C=C(C=C1)C(=O)CSC2=NC(=CC(=N2)C)C)C 1 3.907 2 1 -6.10884416576384 784981 CN1C=C(C=CC1=O)C(=O)NN=CC2=C(C=CC(=C2)OC)OC 1 0.662 3 4 0 -8.00629060467562 784948 C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)F 1 2.008 1 2 -11.143221778628 784938 C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CC=CC=C3F 1 3.162 4 1 -10.313397751474 784928 CC(C)(C)S(=O)C1=CC=CS1 1 1.977 0 1 0 0.23139255294625 784919 C1CCC(CC1)(C#CCN2CCOCC2)O 1 1.773 1 2 0 -1.60004632865321 784898 C1=CC(=CN=C1)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl 1 2.502 2 2 -3.87589582558138 784882 CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=CS3)C 1 2.843 2 2 -13.4286229401598 784869 COC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.97 3 2 -3.7267986577015 784818 CC1=CC2=C(C=C1)N=C(N2)C3=CC(=CC=C3)N 1 3.01 3 0 9.26671831381485 784811 CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CS3 1 3.584 2 1 4.61590997737506 784809 CCC1=C(N=C2C=C(NN2C1=O)C3=CC=CS3)C 1 1.919 3 1 0 -7.07255880794385 784808 CC1=C(N=C2C=C(NN2C1=O)C3=CC=CS3)C 1 1.463 3 1 0 -5.39978214836743 784805 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C 1 3.551 1 4 -2.23434334076305 784772 C1COCCN1CCNC(=O)/C=C/C2=CC=C(C=C2)Cl 1 1.996 2 2 0 -6.97746501341769 784757 C1=CC(=CC=C1CC(=O)NC2=CC=NC=C2)Cl 1 2.163 2 1 -3.19607920396329 784749 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC3=C2NC=C3 1 3.836 4 1 -5.23774188805832 784748 CCOC1=C(C2=C(N1)C3=CC=CC=C3C(=C2)O)C(=O)OCC 1 3.451 1 4 -1.9678069300775 784738 CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=CC=C3 1 3.627 1 2 -3.32115896156352 784729 COC1=C(C=C(C=C1)C(=O)NC2=CC3=CC=CC=C3C=C2)OC 1 3.49 1 3 -7.08450393625677 784721 CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)CCO 1 3.855 1 1 4.66946456544157 784703 C1CCN(CC1)CCSC2=NC3=C(N2)C(=NC=N3)N 1 1.694 6 0 0 -4.17385118808594 784698 COC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)N 1 2.507 3 1 7.70605414253532 784692 CC1=CC(=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2C)O 1 3.885 0 3 2.5761738735421 784670 C1COCCN1C2=CC3=C(C=C2)C=C(C(=C3)C#N)C#N 1 2.346 3 1 -0.471738945053722 784661 COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCCC2 1 1.489 1 5 0 -11.9474898850454 784642 C1=CC(=CC=C1NC(=O)C2=C(NC=N2)C(=O)O)F 1 1.057 3 3 0 -7.4938308138913 784640 COC1=CC=CC(=C1OC)CNC2=CC(=C(C=C2)F)Cl 1 4.059 1 2 0.833161127158049 784639 COC1=CC=CC(=C1)CNC2=CC3=C(CCC3)C=C2 1 4.262 1 1 -3.67129733243878 784629 CCOC1=CC=C(C=C1)OCCN2C3=CC=CC=C3NC2=S 1 4.854 2 2 -2.69624550562023 784625 C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)O)Cl 1 3.329 0 3 3.42927800184338 784622 C1CSC2=C1N=C3C=C(NN3C2=O)C4=CC=C(C=C4)Cl 1 1.506 3 1 0 9.47658450711324e-002 784616 C1CC2=C(C1)N=C3C=C(NN3C2=O)C4=CC(=CC=C4)Cl 1 2.326 3 1 -0.278520693444794 784587 CC1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3OC 1 4.043 2 1 1.77357098617415 784585 CCCN1CCC(CC1)N(C)CCC2=CC(=C(C=C2)OC)OC 1 3.175 2 2 -2.97981964915566 784580 C1C2CC3CC1CC(C2)C3NCC4=CC=CO4 1 2.806 1 1 1.85246198942208 784576 C1=CC(=CN=C1)C2=NOC(=N2)CC3=CC=C(C=C3)Cl 1 2.693 3 1 2.34882191954027 784566 C1=CC(=NC(=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CO3 1 2.117 3 4 0 -2.12874243040449 784457 CC1=CC=C(C=C1)NCC2=CC=C(S2)[N+](=O)[O-] 1 3.467 2 2 2.75485258991049 784456 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.232 2 4 -7.43025520028903 784454 C1OC2=C(O1)C=C(C=C2)CNC(=O)/C=C/C3=CC=CS3 1 2.81 1 3 -9.33728107328492 784453 COC1=C(C(=CC(=C1)CNC2=CC(=CC=C2)F)Br)O 1 3.917 1 2 3.15944395024359 784440 CC1=CC(=C(C=C1)CNC2=CC3=C(C=C2)OCO3)C 1 3.962 1 2 -1.53802898181507 784434 COC1=CC(=CC(=C1OC)OC)CNC2=CC=CC=C2SC 1 3.714 1 3 -8.04132532013611 784417 CN1CCC(CC1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.002 3 0 14.2508781229999 784415 COC1=CC=CC=C1CNC2CCN(CC2)CC3=CC=CC=C3 1 3.045 2 1 4.79829277907385 784406 CC(C)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 1.81 3 3 0 -13.7271928626219 784405 C1CN(CCC1NCC2=CC=C(C=C2)Cl)CC3=CC=CC=C3 1 3.726 2 0 8.7715262152161 784402 CCOC1=C(C=CC(=C1)CNC2=CC3=C(CCC3)C=C2)O 1 4.369 1 2 -2.90309928033781 784395 CC1CCC(CC1)NCCC2=CC=CC=C2OC 1 3.782 1 1 -5.85134965553982 784392 COC1=C(C=C(C=C1)C2=CC=CC=C2)NCC3=CC(=C(C=C3)OC)OC 1 4.691 1 3 1.08686095080464 784380 CCOC1=C(C=CC(=C1)CNC2=CC3=C(C=C2)C=NN3)OC 1 3.182 3 2 -6.20717484580416 784359 COC1=C(C=CC(=C1)CNC2=CC=CC=C2SC)O 1 3.505 1 2 -2.16372188720908 784353 C1=CC=C(C=C1)CCC2=NC(=NO2)C3=CN=CC=C3 1 2.485 3 1 -1.36142013483977 784352 COC1=C(C(=C(C=C1)CNC2=CC3=C(C=C2)C=NN3)OC)OC 1 2.816 3 3 -1.9382397835636 784350 C1=CC(=CC=C1CN(CCO)CCO)Br 1 1.573 1 2 0 5.15438751841691 784349 CC1=CC(=CC=C1)NCC2=CC(=C(C=C2C)OC)C 1 4.664 1 1 4.25587364888125 784346 CCCN1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3OC 1 2.916 3 1 5.35241609512523 784345 CCOC(=O)N1CCC(CC1)N2CCN(CC2)C3=C(C=CC(=C3)C)C 1 3.284 3 2 1.39089051882965 784343 COC1=C(C=C(C=C1)C2=CC=CC=C2)NCC3=CC=CC=C3OC 1 4.707 1 2 3.62769329993151 784339 COC1=CC=CC(=C1)NCC2=CC=C(S2)[N+](=O)[O-] 1 2.964 2 3 3.53757815017339 784330 COC1=CC=C(C=C1)CCNC2CCCCCC2 1 3.987 1 1 0.755195500664124 784327 C1CCC2=C(C1)C(=O)N3C(=N2)C=C(N3)C4=CC(=CC=C4)Cl 1 2.782 3 1 -0.587330814329465 784317 C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)F 1 5.297 2 0 9.74430419168081 784316 C1=COC(=C1)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3 1 3.412 2 3 -6.34605339097817 784315 C1CN(CCC1NCC2=CC(=CC=C2)C(F)(F)F)CC3=CC=CC=C3 1 4.004 2 0 10.0788194374079 784312 COC1=C(C=C(C=C1)CNC2=CC3=C(CCC3)C=C2)OC 1 4.246 1 2 -7.96445062160586 784297 CC1CCC(CC1)N2CCC3=CC(=C(C=C3C2)OC)OC 1 4.055 1 2 -7.71497209115829 784296 COC1=CC(=CC(=C1)CNC2CCCCCC2)OC 1 3.649 1 2 -0.540243416052054 784287 C1=CC=C(C(=C1)CNC2=CC(=C(C=C2)F)Cl)[N+](=O)[O-] 1 3.986 2 2 -1.06487911598601 784284 CC1CCC(CC1)N2CCN(CC2)C3=NC=CC=N3 1 2.181 4 0 3.3690927052094 784281 CN1CCN(CC1)C2CCCCCC2 1 2.591 2 0 4.16270419189518 784262 COC1=CC(=C(C=C1)OC)CNC2=CC(=C(C=C2)F)Cl 1 4.059 1 2 1.68856524482282 784250 CC(C)CC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)OC 1 3.253 2 2 -3.65334506963588 784242 CCOC1=C(C=CC(=C1)CNC2=CC=CC=C2SC)O 1 3.854 1 2 -3.01848062923251 784235 C1C2=CC=CC(=C2C(=O)N1C3=CC=CC=C3)C(=O)O 1 2.203 1 3 -5.81971358077882 784234 C1=CC(=CC=C1NCC2=CC=C(S2)[N+](=O)[O-])Cl 1 3.645 2 2 4.5768512804973 784224 CC1=CC=C(C=C1)CNC2=CC3=C(C=C2)OCO3 1 3.476 1 2 -2.45213811241919 784221 C1=CC(=C(C=C1NCC2=C(C=CC(=C2)Cl)[N+](=O)[O-])F)F 1 4.192 2 2 1.40716125025205 784220 COC1=CC=C(C=C1)NCC2=CC(=C(C=C2)OC)OC 1 3.173 1 3 -5.29362892202812 784216 COC1=C(C=C(C=C1)CNC2=CC(=CC=C2)F)Br 1 4.159 1 1 1.06588231252384 784213 CCOC1=C(C=CC(=C1)CNC2=CC3=C(CCC3)C=C2)OC 1 4.595 1 2 -9.14625055670297 784200 C1COCCN1C(=S)NC(=O)C2=CC3=CC=CC=C3O2 1 2.73 2 3 -8.78023426542475 784191 CC1=CC(=NC(=N1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C 1 1.872 3 4 0 -11.1773811730146 784187 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.047 2 5 0 -12.9699138500359 784179 C1CC2=C(C1)C=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-] 1 4.173 2 2 -6.91946933982407 784160 C1=CC2=C(C=C1C3=NC4=C(O3)C=CC(=C4)N)NC=N2 1 2.049 4 1 11.3704076967911 784146 COC1=NC(=NC(=N1)NC2=CC=CC=C2F)OC 1 2.594 4 2 -4.153032023196 784133 COC1=CC(=CC(=C1OC)OC)CNC2CCCCCC2 1 3.633 1 3 -1.95220633171633 784132 CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)N4CCOCC4 1 3.077 4 1 1.96363247321469 784128 COC1=CC=CC=C1NCC2=CC=C(S2)[N+](=O)[O-] 1 2.964 2 3 2.6013481517372 784125 C1=CC(=CC(=C1)F)NCC2=COC=C2 1 2.531 1 1 -1.77230578675234 784124 COC1=CC=CC=C1CCNC2C3CC4CC(C3)CC2C4 1 3.929 1 1 -2.03904835387807 784121 C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.373 2 3 -1.44017691545666 784116 C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC=NN3 1 1.354 4 2 0 -11.2260369523841 784093 COC1=C(C=C(C=C1)CNC2=CC3=C(CCC3)C=C2)Br 1 5.011 1 1 -4.3392868834168 784090 COC1=CC=CC=C1CNC2=CC3=C(CCC3)C=C2 1 4.262 1 1 -5.02585386878076 784088 CC1=CN2C=C(N=C2C=C1)C3=CC(=C(C=C3)OC)F 1 3.192 2 1 1.74798318093209 784087 COC1=CC(=C(C=C1)OC)CNC2=CC3=C(CCC3)C=C2 1 4.246 1 2 -3.82406117693769 784086 CCN1CCC(CC1)NCCC2=CC=C(C=C2)F 1 2.354 2 0 3.48254990978775 784059 CCN(CC)CCN(C)CC1=CC=C(C=C1)Br 1 3.488 2 0 2.64107200595188 784043 C1CN(CCC1NCC2=CC=C(C=C2)F)CC3=CC=CC=C3 1 3.267 2 0 7.66140455009454 784036 COC1=C(C=C(C=C1)CNC2=CC=CC=C2SC)OC 1 3.731 1 2 -8.07983197050056 784035 COC1=CC=C(C=C1)CNC2CCN(CC2)CC3=CC=CC=C3 1 3.045 2 1 6.53656131548515 784029 C1=CC(=CN=C1)CNC2=CC(=C(C=C2)F)F 1 2.482 2 0 -1.18261875868866 784006 C1=CC(=CC=C1NCC2=CC=C(S2)[N+](=O)[O-])F 1 3.186 2 2 3.46672961537574 783993 CNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C 1 2.139 5 2 0 -17.0949435682245 783985 COC1=CC=CC(=C1)CNC2=CC(=C(C=C2)F)Cl 1 4.075 1 1 1.84132908932173 783981 CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)O 1 2.605 2 2 -5.96358795986469 783977 CC1=C(C(=NN1CC2=CC=CC=C2)C)CCC(=O)O 1 2.612 2 2 -10.0749607198042 783957 C1=CC(=CC(=C1)Cl)NCC2=CC=C(S2)[N+](=O)[O-] 1 3.645 2 2 6.34270822133531 783946 COC1=C(C=C(C=C1)NCC2=CC=CC=C2[N+](=O)[O-])OC 1 3.083 2 4 -8.29346075646925 783943 CC(C)(C)C1CCC(CC1)N2CCC3=CC(=C(C=C3C2)OC)OC 1 4.969 1 2 -7.30781796780879 783935 CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)N)C 1 3.854 4 0 1.53665465461226 783926 CC1=CC=CC=C1NCC2=CC=C(S2)[N+](=O)[O-] 1 3.467 2 2 3.37312410613903 783895 C1CN(CCN1C2=CC=CC=C2F)C(=O)CCSC3=CC=CC=C3 1 3.72 2 1 -2.93112911966572 783893 COC1=CC(=CC(=C1O)OC)CNC2=CC3=C(CCC3)C=C2 1 4.004 1 3 -4.7677220606378 783886 COC1=CC=CC(=C1OC)CNC2CCCCCCC2 1 4.105 1 2 1.02799584699275 783866 COC1=CC(=C(C=C1)NC2CCN(CC2)CCC3=CC=CC=C3)OC 1 3.621 2 2 1.35719421370595 783856 C1CC2=C(C1)SC3=NC=NC(=C23)NC4=CC=CC=C4 1 4.128 3 0 -3.66390503521637 783852 COC1=CC(=C(C=C1)NCC2=CC=C(S2)[N+](=O)[O-])OC 1 2.948 2 4 1.56438459511142 783846 C1=CC=NC(=C1)NC(=O)NC2=CN=CC=C2 1 0.76 4 1 0 -2.65366564769356 783843 CCN1CCC(CC1)N(C)C2CCCCC2 1 2.637 2 0 -1.4289274283995 783828 COC1=CC=C(C=C1)NCC2=CC=C(S2)[N+](=O)[O-] 1 2.964 2 3 2.34188638076634 783815 C1=CC=C(C=C1)OCCN2C=NC3=C2N=CN=C3N 1 1.396 5 1 0 -4.3582884371897 783812 C1=CC(=CC(=C1)F)NCC2=CC=C(S2)[N+](=O)[O-] 1 3.186 2 2 5.38484463026032 783807 COC1=CC=CC=C1CCNC2CCCCCC2 1 3.987 1 1 -3.60764050942733 783805 CC1=CC=C(C=C1)C(=O)N2CCSC2=S 1 3.433 1 1 -3.61436626476879 783795 CC1=CC=C(C=C1)S(=O)(=O)N=C2SCCCS2 1 2.913 1 2 -5.99128501627837 783789 CCN1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.614 3 0 7.3725864270004 783786 CC(C)(C)C1CCC(CC1)NCCC2=CC=CC=C2OC 1 4.696 1 1 -5.44419553219032 783769 CC1=CC(=C(C=C1CNC2=CC(=C(C=C2)OC)OC)C)OC 1 4.145 1 3 -2.23898600356633 783753 CC1=CC(=CC=C1)CN2CCC(CC2)C(=O)N 1 1.864 2 1 0 3.29322006495114 783744 CCOC(=O)N1CCN(CC1)CC2=CC=CS2 1 1.852 2 2 0 -2.40021886070825 783742 COC1=CC=CC=C1/C=C/CN2CCSCC2 1 2.787 1 1 3.94085148414482 783739 CCCN(CCO)CC1=CC(=CC=C1)OC2=CC=CC=C2 1 3.796 1 2 5.98712871587752 783733 C1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)O 1 2.485 1 3 -6.39918433157009 783729 CC1=C(C=C(C=C1)OCC2=NC(=NO2)C3=CN=CC=C3)C 1 2.802 3 2 0.90244677992345 783724 CN1CCN(CC1)CC2=C(C=CC3=CC=CC=C32)OC 1 2.752 2 1 7.30709711725595 783718 CC1=C(C=C(C=C1)OCC(=O)NC2CC(NC(C2)(C)C)(C)C)C 1 2.585 2 2 -12.9179204658164 783701 C1CN(CCN1CC2=C(C=CC(=C2)Br)O)C3=CC=CC=C3 1 4.039 2 1 10.4119414048715 783699 C1CN(CCN1CC2=CC=CC=C2)CC3=C(C=CC(=C3)Cl)O 1 3.866 2 1 11.210589192412 783691 CC1=C(C=CC(=C1C)OC)CN(C)C2CCCCC2 1 4.717 1 1 2.95141589121119 783687 C1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=CC=C3F 1 4.001 2 1 -7.3265155637652 783682 CCN(C/C=C/C1=CC=CC=C1OC)CC2=CC=CC=C2 1 4.287 1 1 5.22796979049134 783653 COC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.891 2 2 -6.29972097907555 783651 COC1=CC=CC=C1N2CCN(CC2)CC3=C(C=CC=C3Cl)F 1 4.386 2 1 0.352022628580507 783643 C1=CC=C(C=C1)CN(CCO)CC2=C(C=C(C=C2)Cl)Cl 1 4.276 1 1 10.6393947028151 783637 COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)OC 1 2.875 2 3 -8.17087651849324 783634 CCN(CC)C1=CC=C(C=C1)C(=O)N2C=NC3=CC=CC=C32 1 3.859 3 1 -8.52688732132648 783622 CCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)OCC 1 2.468 1 4 -15.3160637912503 783617 CCN(CC1=CC=CC=C1)CC2=CC(=CC(=C2)OC)OC 1 3.803 1 2 1.2695194458283 783595 C1CN(C2=CC=CC=C21)C(=O)C3=C(C=CC(=C3)Cl)Cl 1 4.224 1 1 -6.92140055228683 783587 COC1=CC=CC=C1/C=C/CN2CCCCC2 1 3.272 1 1 4.06988703210603 783574 CCOC(=O)N1CCN(CC1)CC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.785 2 2 -7.61944081108663 783530 CN(C)C1=CC=C(C=C1)CN(C)C2CCCCC2 1 3.924 2 0 -2.95866947263941 783525 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])N3C=CC=C3 1 2.973 4 4 0 -5.5094332705794 783518 CCOC(=O)N1CCN(CC1)CCCC2=CC=CC=C2 1 2.889 2 2 -0.37144802166153 783517 C1=CC2=C(C=C1Cl)C=C(C(=O)O2)C(=S)N 1 2.394 1 2 -4.05609561998662 783516 CCN1CCN(CC1)CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3 1 3.76 2 2 -1.90627506753133 783509 CCOC(=O)C(=NNC1=CC=CC=C1C#N)C#N 1 2.009 4 2 -0.194480525577475 783500 CC1(CC(=O)C(=CNC2=CC=CC=N2)C(=O)C1)C 1 1.412 2 2 0 -6.60462348808649 783490 C1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3 1 4.38 1 1 5.57125521430816 783485 CCOC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 1 1.88 2 4 0 -1.58578365885318 783484 C1CCN(CC1)C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 3.182 2 2 3.53715376046431 783474 CCCN(CCO)CC1=CC2=CC=CC=C2C=C1 1 3.145 1 1 5.67288622840925 783463 C1COCCN1C(=O)C2=CC3=C(C=C(C=C3)[N+](=O)[O-])OC2=O 1 0.856 2 6 0 -13.6126559340108 783456 C1=CC=C(C=C1)CN(CCO)CC2=C(C(=CC=C2)Cl)Cl 1 4.276 1 1 8.65853996627941 783452 C1=CC=C(C=C1)CN(CCO)CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.842 2 3 3.3024253254413 783443 CCCN(CCO)CC1=CC(=C(C=C1)F)Br 1 3.19 1 1 3.40580873601001 783442 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(O3)Br 1 3.522 2 2 -0.606042805276206 783433 C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C4=CC5=CC=CC=C5O4 1 4.872 1 2 3.29077081644746 783430 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 3.059 2 3 8.92874920122588e-002 783424 C1CCC(CC1)CN(CCO)CC2=CC=CC=C2 1 3.552 1 1 7.34637829032508 783417 CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)F)CC3CC3 1 2.962 1 3 -2.01072906621637 783416 CCN1CCN(CC1)CC2=CC(=CC(=C2O)OC)Br 1 2.699 2 2 5.33645807461102 783405 CCOC(=O)C1CCN(CC1)CC2=COC3=C(C2=O)C=C(C=C3)Cl 1 2.762 1 4 -1.61336643811202 783368 C1=CC=C(C(=C1)CC2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl)F 1 3.918 3 1 -12.2627067729288 783359 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC(=CS3)C4=CC=CS4 1 4.14 1 2 3.14237949874114 783356 C1CSCCN1C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.698 2 2 3.4081182125031 783344 C1=CC=C(C=C1)CN(CCO)CC2=CC(=CC=C2)F 1 3.153 1 1 8.54022716319106 783342 CCCN(CC1CC1)CC2=CC=C(C=C2)N(CC)CC 1 4.456 2 0 7.31957544226665e-002 783336 C1=CC=C(C=C1)CN(CCO)CC2=CC=CC=C2Cl 1 3.612 1 1 7.923454832166 783329 C/C=C(\C)/CN1CCN(CC1)C2=CC=CC(=C2C)C 1 4.387 2 0 7.34868102661774 783296 CCOC(=O)C1CCN(CC1)C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.942 2 4 -0.463493395772138 783283 C1=CC=C(C=C1)CN(CCO)CC2=CC=CC=C2F 1 3.153 1 1 7.90537588578301 783279 CC1=CC=C(O1)C2=C(C(=S)NC3=C2CCCC3)C#N 1 3.196 2 1 -7.06062112589141 783275 COC1=C(C(=CC(=C1)Br)CN2CCN(CC2)C=O)O 1 1.531 2 3 0 4.79777613489262 783224 CC1=CC=C(O1)CN2CCN(CC2)C3=NC=CC=N3 1 0.982 4 1 0 5.26024248111577 783223 C1=CC=C(C=C1)CN(CCO)CC2=CC=C(C=C2)Cl 1 3.612 1 1 8.30127883782154 783209 CC1CCN(CC1)CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3 1 4.623 1 2 -4.24683620443246 783207 C/C=C(\C)/CN1CCN(CC1)C2=C(C=CC(=C2)C)C 1 4.387 2 0 3.39477143299934 783206 C1C2(COC(O1)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N=C(S2)N 1 1.432 3 5 0 -10.7461297204718 783195 CCOC(=O)N1CCN(CC1)CCC2=CC=CC=C2 1 2.433 2 2 4.03041969587861e-002 783192 CN(CCC1=CC(=C(C=C1)OC)OC)C/C=C/C2=CC=CC=C2 1 4.243 1 2 3.63949071763933 783185 C1COCCN1CC2=CC3=CC=CC=C3C=C2 1 2.499 1 1 2.8584065159278 783182 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=S)NC3=CC=CC=C3 1 5.056 3 0 -3.99547109623015 783170 CCOC1=C(C=CC(=C1)CN2CCCCC2)OC 1 3.136 1 2 -2.43018772885841 783155 CCN1CCN(CC1)C/C(=C/C2=CC=CC=C2)/C 1 3.123 2 0 -1.1946550013056 783142 CCCN(CCO)CC1=CC=C(C=C1)Br 1 2.985 1 1 3.85204532761496 783139 CCOC1=NC(=NC(=N1)NC(C)(C)C)NC2CCCCC2 1 3.303 5 1 -8.63805527895462 783135 CCCN(CCC)C1=NC(=NC(=N1)NCCN2CCOCC2)Cl 1 2.293 6 1 0 -5.07873273675111 783129 C1CN(CCN1CC2=C(C=CC=C2Cl)Cl)C3=CC=CC=C3 1 4.861 2 0 3.74519352580764 783127 C1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl 1 4.979 3 0 11.5765749513571 783124 COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)[N+](=O)[O-] 1 3.006 3 3 1.9481354010883 783122 COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)N 1 2.365 3 1 5.67058134491833 783121 CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC=C(C=C3)C(=O)O 1 2.818 2 3 -10.7821816152004 783120 C1=CC2=C(C(=C1)SCC(=O)NN)N=CC=C2 1 0.92 3 1 0 -6.99138907251596 783107 C1COCCN1CC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 1.588 3 2 0 -3.03984550277582 783101 CC1=CC2=C(C=C1)OC=C(C2=O)CN3CCN(CC3)CC4=CC=CC=C4 1 3.448 2 2 2.22624487431281 783100 CC1=CC(=NC(=C1C#N)NC2=CC=CC=C2F)C 1 3.621 3 0 -3.38360896884991 783099 CCOC(=O)N1CCN(CC1)CC2=C(C=CC=C2Cl)F 1 2.982 2 2 -4.22095783297567 783092 CC1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C 1 2.506 3 3 -10.9235611211313 783083 COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 3.951 1 3 -0.251399764906961 783076 COC1=CC=CC=C1/C=C/CN2CCN(CC2)C3=CC=CC=C3 1 3.984 2 1 7.14748708386705 783060 C/C=C(\C)/CN1CCC2=CC(=C(C=C2C1)OC)OC 1 3.41 1 2 -6.61178018338655 783054 CCN(CC1=CC=CC=C1)CC2=CC(=CC=C2)[N+](=O)[O-] 1 3.73 2 2 -0.235702649921573 783033 CCCN(CCO)CC1=CC(=CC=C1)Cl 1 2.901 1 1 6.00511095084108 783028 CCN1CCN(CC1)CC2=C(C=CC3=CC=CC=C32)OC 1 3.101 2 1 5.04569389999843 783013 CN(CC1=CC=C(C=C1)O)C2CCCCC2 1 3.519 1 1 1.68350984845553 783011 CCC(CC)C1C(=C(SC(=C1C#N)N)N)C#N 1 2.051 4 0 -3.95308453890036 783010 C1COCCN1CC2=CC3=C(C=C2)OCO3 1 1.359 1 3 0 -0.627367301981779 782996 CCCN(CC1CC1)CC2=CC=C(C=C2)N(C)C 1 3.758 2 0 2.14828231247411 782989 CCCN(CCO)CC1=CC(=C(C=C1)Cl)Cl 1 3.565 1 1 5.56721469022103 782983 CCN1CCN(CC1)CC2=CC=C(C=C2)OCC3=CC=CC=C3 1 3.776 2 1 2.35224780545523 782972 CCN1CCN(CC1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC 1 3.76 2 2 -2.22808422966271 782970 CCOC(=O)N1CCN(CC1)CC2=CC=CC=C2F 1 2.318 2 2 -1.72012128921106 782937 C1CCC(CC1)CN2CCN(CC2)C3=CC=CC=C3F 1 4.343 2 0 5.62658051952233 782926 CC1=C(C(=CC=C1)N2CCN(CC2)CC3CCCCC3)C 1 5.11 2 0 8.32638326323314 782916 C1=CC=C(C=C1)CN(CCO)CC2=CC(=CC=C2)C(F)(F)F 1 3.889 1 1 10.1990108228797 782887 C1CN(CCC1O)C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 1.698 2 3 0 4.5043747285044 782877 C1CCCN(CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])O 1 2.929 2 3 4.03038918196275 782871 CCOC(=O)C1CCN(CC1)C/C=C/C2=CC=CC=C2OC 1 3.031 1 3 -0.271167238409088 782865 CN1CCN(CC1)CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3 1 3.411 2 2 0.355128149726186 782864 CCN1CCN(CC1)CC2=COC3=C(C2=O)C=C(C=C3)C 1 2.214 2 2 0.274772428869009 782862 CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC=CC=C2)C 1 3.069 3 3 -15.5437453286218 782827 C1CN(CCN1CCCC2=CC=CC=C2)C3=CC=CC=C3F 1 4.515 2 0 6.89768913953928 782814 CCOC(=O)C1CCN(CC1)C/C=C/C2=CC=CC=C2 1 3.047 1 2 1.60568741005837 782786 CN(C/C=C/C1=CC=CC=C1[N+](=O)[O-])CC2=CC=CC=C2 1 3.849 2 2 5.11174027483681 782784 C1CN(CCN1CC2=C(C=CC=C2Cl)Cl)C3=NC=CC=N3 1 2.984 4 0 3.48348823338501 782774 CN1CCN(CC1)CC2=CC=C(C=C2)OCC3=CC=CC=C3 1 3.427 2 1 4.61365102271274 782771 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3O 1 2.981 2 3 0.148104683160336 782768 CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=CC=C2)C 1 2.719 3 1 -9.61439032845495 782737 COC1=CC=CC=C1N2CCN(CC2)CC3=C(C(=CC=C3)OC)O 1 3.258 2 3 6.48970146273677 782733 CCN(CC)C1=CC=C(C=C1)CN2CCCCCC2 1 4.136 2 0 -1.36305598483602 782728 C1COCCN1CCCC2=CC=CC=C2 1 2.368 1 1 0.586968335209874 782725 CCOC(=O)N1CCN(CC1)CC2=CC=CC=C2Cl 1 2.776 2 2 -0.66634875424269 782701 CC1=CC2=C(C=C1)OC=C(C2=O)CN3CCN(CC3)C4=CC=CC=C4 1 3.537 2 2 3.78781360453512 782696 CC1=CC(=C(C=C1)C)N2CCN(CC2)CC3=CC(=C(C=C3)O)OC 1 4.247 2 2 7.35430512583069 782694 C1=CC=C(C=C1)CN(CCO)CC2=CC=C(C=C2)C(F)(F)F 1 3.889 1 1 10.075047034567 782678 CCOC(=O)N1CCN(CC1)C/C(=C/C2=CC=CC=C2)/C 1 3.026 2 2 -3.8392119629452 782672 CC1=C(C=CC(=C1C)OC)CN2CCOCC2 1 2.547 1 2 3.12684345642796 782647 C1CCC(CC1)C(=O)NNC(=O)C2=CC=NC=C2 1 1.183 3 2 0 -5.93262437577182 782642 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CS3 1 3.625 1 1 -8.2867525450644 782630 C1COCCN1/C=C/C(=O)C2=COC3=CC=CC=C32 1 1.715 1 3 0 -1.47379133196138e-002 782615 C1COCCN1CC2=CC(=CC=C2)OC3=CC=CC=C3 1 3.151 1 2 3.17264900339607 782582 COC1=C(C=C(C=C1)CN2CCOCC2)OC 1 1.558 1 3 0 -3.64699400467338 782575 CC1=CC(=NN1C2=NN=C(N2NC(=O)C3=CC(=CC=C3)OC)C)C 1 1.674 6 2 0 -11.3750431447329 782559 CCOC(=O)CSC1=NN(C(=S)S1)C2=CC=CC=C2 1 4.991 2 2 -12.0171475258194 782526 CCOC(=O)CN(C)CC1=CNC2=CC=CC=C21 1 2.253 2 2 -4.21092356292916 782507 C/C=C(\C)/CN1CCN(CC1)C2=CC=CC=C2 1 3.414 2 0 3.81436374125062 782498 CC1=CC(=C(C=C1)C)N2CCN(CC2)CC3CCCCC3 1 5.11 2 0 4.37247366961475 782475 CNC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)Cl)/C#N 1 3.214 2 2 -8.31393509069387 782473 CN(CCC1=CC=CC=C1)CC2=CC=CC=C2[N+](=O)[O-] 1 3.702 2 2 0.745624645690759 782469 CNC(=O)/C(=C/C1=CC=C(O1)C2=C(C=C(C=C2)OC)[N+](=O)[O-])/C#N 1 2.427 3 5 0 -12.1413049429347 782463 CNC(=O)/C(=C/C1=CC=C(O1)C2=CC=CC=C2[N+](=O)[O-])/C#N 1 2.444 3 4 0 -13.4832825405088 782445 CC1=CC=C(C=C1)N(CC(=O)OC)S(=O)(=O)C2=CC=C(C=C2)F 1 2.922 1 4 -11.2648485008587 782442 CC1=CC=C(S1)CN2CCC3=CC(=C(C=C3C2)OC)OC 1 3.414 1 2 -2.50573729267252 782439 COC1=CC=C(C=C1)CN2CCOCC2 1 1.574 1 2 0 0.780043834979006 782430 CN1CCN(CC1)CC2=CC(=CC(=C2O)OC)Br 1 2.35 2 2 7.59786129186853 782428 CCOC(=O)N1CCN(CC1)CC2=CC3=CC=CC=C3C=C2 1 3.02 2 2 1.8999901590564 782427 CC1=CC(=CC(=C1)NC(=O)C2=C(N=C3N2C=CC=C3)C)C 1 3.038 3 1 -4.50726523232422 782414 CN(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=NC=C2 1 2.624 2 2 0.551829558353947 782398 CCOC1=CC=CC=C1N2CCN(CC2)CC3=C(C(=CC=C3)OC)O 1 3.607 2 3 5.06225971428392 782395 COC1=CC=CC=C1/C=C/CN2CCOCC2 1 2.042 1 2 1.67128082119394 782390 CCN1CCN(CC1)CC2=C(C=CC(=C2)Br)O 1 2.716 2 1 6.89890022920536 782388 CN(CC1=CC=C(C=C1)OC)C2CCCCC2 1 3.745 1 1 -0.609330471827754 782380 CCCN(CCO)CC1=CC(=CC=C1)Br 1 2.985 1 1 4.13335703592464 782365 C1CN(CCN1CC2=C(C=CC=C2F)F)C3=NC=CC=N3 1 2.066 4 0 3.09496067333426 782359 CCN(CC)C1=CC=C(C=C1)CN2CCC(=CC2)C3=CC=C(C=C3)F 1 5.055 2 0 -4.44533826743006 782350 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NN=CC4=CC=CC=N4 1 3.221 3 2 -4.66505468480038 782348 CCOC(=O)C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC 1 2.435 1 4 -3.83461478085195 782346 CN1CCN(CC1)CC2=CC=C(O2)C3=CC=C(C=C3)Cl 1 3.516 2 1 12.1904079418119 782338 COC1=CC=CC(=C1)N2CCN(CC2)CC3=CSC=C3 1 3.178 2 1 6.19184541038091 782316 CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)/C=C/C4=CC=CO4 1 4.306 4 2 -5.08532543241573 782314 C1CCN(CC1)CC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.706 2 3 5.6217471246004 782312 CC1=C(C=CC(=C1)NC(=O)/C=C/C2=CC=CO2)NC(=O)C3=CC=CC=C3 1 3.748 2 3 -12.1448616522673 782311 COC1=CC=CC=C1N2CCN(CC2)CC3=C(C=CC=C3F)F 1 3.927 2 1 1.42400503728093 782309 COC1=C(C(=CC(=C1)[N+](=O)[O-])CN2CCCCC2)O 1 2.456 2 4 1.40810297247083 782306 COC(=O)C1=CC=C(C=C1)CN2CCCCC2 1 2.676 1 2 -0.812236814856823 782303 CC1=CC=C(C=C1)N2CCN(CC2)CCC3=CC=CC=C3 1 4.34 2 0 6.90464300865793 782283 C1CN(CC=C1C2=CC=C(C=C2)F)CC3=CC(=CC=C3)[N+](=O)[O-] 1 4.089 2 2 -3.28568879457354 782280 COC1=CC(=C(C=C1)O)CN2CCN(CC2)C/C=C/C3=CC=CC=C3 1 3.653 2 2 12.3611167074485 782276 CN1CCN(CC1)CC2=CC=C(C=C2)OC(F)(F)F 1 3.98 2 1 8.27739399294628 782273 C1CN(CC=C1C2=CC=C(C=C2)F)CC3=CC=CC=C3[N+](=O)[O-] 1 4.089 2 2 -5.02589786822931 782253 CN(C)C1=CC=C(C=C1)CN2CCC(=CC2)C3=CC=C(C=C3)F 1 4.357 2 0 -2.15195240617146 782243 C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)/C=C/C4=CC=CO4 1 3.918 3 2 0.302321173363928 782220 COC1=CC=CC(=C1)N2CCN(CC2)CC3=CC(=CC=C3)Cl 1 4.181 2 1 9.26273217261881 782202 C1CN(CCN1CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCO4 1 3.23 2 2 1.30842066585131 782193 C1CN(CCN1CC2=CC=NC3=CC=CC=C23)C4=CC=CC=C4 1 3.719 3 0 6.17008230779073 782192 CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O 1 4.29 1 4 -1.7137898582252 782186 COC1=CC(=CC(=C1)CN2CCC(=CC2)C3=CC=C(C=C3)F)OC 1 4.162 1 2 -3.25221508970303 782167 CCN1CCN(CC1)CC2=CC=C(C=C2)OC(F)(F)F 1 4.329 2 1 6.01599077568877 782158 CN(CC1=CC(=CC=C1)[N+](=O)[O-])CC2=CC=CC3=CC=CC=C32 1 4.289 2 2 5.11886497631833 782156 COC1=CC=CC=C1C2=NNC(=S)N2N 1 1.387 4 1 0 -6.37742710187587 782136 COC1=CC=CC(=C1)N2CCN(CC2)CC3=CC=CO3 1 2.698 2 2 5.56878852566177 782116 COC1=CC=CC(=C1)N2CCN(CC2)CC3=CC=C(C=C3)Cl 1 4.181 2 1 9.65071470737019 782100 C1CN(CCC1NCC2=CC(=CC=C2)F)CCC3=CC=CC=C3 1 3.588 2 0 9.04056119220598 782099 C1CCN(CC1)CC2=CC=C(O2)C3=CC=C(C=C3)Cl 1 4.476 1 1 10.1960328514471 782097 CN(C)CCN(C)CC1=CC2=C(C=C1)C3=CC=CC=C3C2 1 3.705 2 0 7.26263741891062 782082 CN(CCC1=CC(=C(C=C1)OC)OC)CC2=C(C=CC=C2F)F 1 4.186 1 2 0.274871797612163 782051 CCOC1=CC2=C(C=C1)OC(=C2C(=O)N(C)C)C3=CC=CC=C3 1 3.689 1 3 -8.27147506602113e-002 782050 C1CN(CCN1CC2=C(C=CC(=C2)F)F)C3=NC=CC=N3 1 2.066 4 0 6.05912345111526 782039 C/C=C(\C)/CN1CCN(CC1)C2=CC=C(C=C2)C 1 3.901 2 0 4.07566693639286 782038 C1=COC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)F 1 2.541 0 4 -7.11691262738629 782013 CC1=CC(=C(C=C1CN2CCC(=CC2)C3=CC=C(C=C3)F)C)OC 1 5.151 1 1 1.60001149411494 781997 COC1=CC=CC(=C1)N2CCN(CC2)CC3=CN=CC=C3 1 2.366 3 1 5.88529403192513 781966 CCN1CCN(CC1)C2CCN(CC2)C(=O)C 1 -4.e-003 3 1 0 -1.9349068267644 781964 COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3 1 3.299 2 2 -0.291187133123535 781930 CCC1(CC2=CC=CC=C2C(=C(C#N)C#N)N1)CC 1 2.955 3 0 -4.073859606043 781927 C1CCC2(CC1)CC3=CC=CC=C3C(=S)N2 1 3.92 1 0 -1.45785088219229 781895 C1=CC=C(C(=C1)N2C(=O)C3=C4C(=C(C=C3)C(=O)O)C=CC=C4C2=O)O 1 2.735 1 5 0.915868377065872 781894 C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)C(=O)O)C=CC=C4C2=O 1 2.977 1 4 -2.69459006906263 781886 C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)C(=O)O 1 3.725 2 2 -10.5613628874008 781881 C/C(=C/C(=O)NCC1=CC=CC=C1)/C(=O)O 1 1.647 1 3 0 -6.60432111377344 781875 C1=CC=C(C(=C1)N2C(=S)N=NN2)F 1 3.531 4 0 -1.8392923601879 781824 CCOC(=O)C1=CC=C(C=C1)N/C=C/2\CCCCC2=O 1 2.771 1 3 -10.136514800539 781794 C1CCCCCC(=NNC(=O)C2=CN=CC=C2)CCCCC1 1 3.995 3 1 -10.4968039604111 781782 CC1(CC(=CC(=O)C1)NNC(=O)C2=CC=C(C=C2)N)C 1 0.864 3 2 0 -14.8952037057208 781779 CC1(CC(=CC(=O)C1)NNC(=O)C2=CC(=CC=C2)OC)C 1 1.594 2 3 0 -16.5540097374772 781761 CC1=CC2=C(C=C1)N(C(=O)C23OCCCO3)CC=C 1 1.89 1 3 0 -10.6428634774334 781754 C1CCN(CC1)C2=NC(=O)C(=C3CCCC3)S2 1 3.28 2 1 -5.52499620894553 781753 C1CCC(=C2C(=O)N=C(S2)N3CCCCC3)CC1 1 3.737 2 1 -5.52499620894553 781748 C1=CC=C(C=C1)C(=O)NNC(=S)N 1 0.987 3 1 0 -6.60186952192996 781738 C1=CC=C(C=C1)CN2C(=C(C=N2)C(=O)NN)N 1 -4.9e-002 5 1 0 -8.21259892439798 781727 COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3 1 4.572 3 1 -7.19973498390559 781726 CC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)Cl 1 5.828 3 0 -4.5277603559305 781721 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=CC=C3)C 1 4.651 3 0 0.254408299803508 781714 CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3 1 3.818 0 4 -9.32137300105589 781711 C1=CC(=CC2=C1C=CC(=O)O2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.226 1 6 0 -11.4157707884131 781706 CC1=C(OC(=C1C#N)N=CC2=CC=C(C=C2)Cl)C 1 3.829 2 1 3.35589875725002 781704 CC1=C(OC(=C1C#N)N=CC2=CC=CC=C2)C 1 3.165 2 1 1.36195624957885 781700 CC1=CC=C(O1)C=NC2=CC=C(C=C2)N(C)C 1 3.129 2 1 3.83839446410447 781698 CN(C)C1=CC=C(C=C1)N=CC2=CC=CO2 1 2.983 2 1 3.79251464954987 781686 CC1=C(OC(=C1C#N)N=CC2=CC=C(C=C2)F)C 1 3.37 2 1 2.24577709212845 781672 CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)C 1 2.145 3 3 -7.16440116845355 781671 CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)C 1 2.145 3 3 -8.04520190307507 781660 CCSC1=NC(=NC(=N1)C(Cl)Cl)C2=CC=CC=C2 1 4.128 3 0 3.35841201896252 781659 COC1=CC=CC=C1C2=CC(=NC(=C2C#N)N)C3CC3 1 2.893 3 1 -7.02102320247692 781612 CC(=O)C1=CC(=CC=C1)NC(=O)NC2CCCCC2 1 2.544 2 2 -9.08032747757523 781584 COC1=CC2=CC(=C(N=C2C=C1OC)N)C(=O)N 1 0.778 3 3 0 -3.30511900305604 781543 C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.133 2 4 -10.2785412871918 781542 C1=CC=C(C=C1)/C=C/S(=O)(=O)N2C=NC3=CC=CC=C32 1 2.644 2 2 1.69585938002821 781537 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CS3 1 3.512 2 1 -0.803449431122035 781522 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2SCC(=O)O 1 3.67 0 2 -3.98412102882947 781520 C1=CC2=NC(=CN2C=C1)COC3=CC=C(C=C3)Br 1 3.101 2 1 -3.0598862554566 781510 CC1=C(C(=O)N=C(N1CC2=CC=CC=C2)C)C3=CC=CC=C3 1 3.034 2 1 -2.05884717036864 781499 CC1=NC2=CC=CC=C2N1CC(=O)NN=C(C)C3=CC=CS3 1 2.451 4 1 -9.86936518807284 781494 CC1=NC2=CC=CC=C2N1CC(=O)NN=CC3=CC=CS3 1 2.47 4 1 -7.62159189048835 781492 C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])F 1 3.154 3 3 3.61891267784388e-002 781490 CC1=NC2=CC=CC=C2N1CC(=O)NN=C/C(=C/C3=CC=CC=C3)/C 1 3.323 4 1 -7.8574833357095 781485 CC1=NC2=CC=CC=C2N1CC(=O)NN=CC3=CC=CC=N3 1 1.795 5 1 0 -4.90908249095238 781483 CC1=CC=C(O1)C=NNC(=O)CN2C(=NC3=CC=CC=C32)C 1 2.058 4 2 -6.66655938828581 781480 CC1=NC2=CC=CC=C2N1CC(=O)NN=CC3=CN=CC=C3 1 1.366 5 1 0 -6.26228564160328 781478 CC1=C(SC=C1)C=NNC(=O)CN2C=NC3=CC=CC=C32 1 2.696 4 1 -9.54785439470744 781475 CC(=NN1CCN(CC1)CC2=CC=CC=C2)C3=CC=CO3 1 2.48 3 1 4.85184389959142 781474 C1CN(CCN1CC2=CC=CC=C2)N=CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.999 4 2 1.35232169310522 781468 C1CN(CCN1CC2=CC=CC=C2)N=CC3=CC=C(C=C3)Cl 1 3.769 3 0 5.68016823396299 781467 COC1=CC=C(C=C1)C=NN2CCN(CC2)CC3=CC=CC=C3 1 3.088 3 1 3.44520333423203 781463 C1CN(CCN1CC2=CC=CC=C2)N=CC3=CC=C(C=C3)F 1 3.31 3 0 4.57004656884142 781462 C1CN(CCN1CC2=CC=CC=C2)N=CC3=CC(=CC=C3)Cl 1 3.769 3 0 6.74607793157991 781457 COC1=CC(=C(C=C1C=NNC(=O)C2=NC=CN=C2)OC)OC 1 0.761 4 4 0 -12.1888864686898 781454 C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C=NN=N3 1 2.277 4 1 -8.53730842699553 781453 C1COCCN1C2=CC=C(C=C2)C=NN3C=NN=C3 1 0.894 5 1 0 -0.299487293444044 781451 C1=CC(=CC=C1C=NNC(=O)CO)Cl 1 1.011 2 2 0 -2.06337883115972 781449 CC1=C(C=C(C=C1)N2C=NN=N2)Cl 1 1.867 4 0 0 -10.8272515123327 781446 C1CC2=C(N3C(=CC(=N3)C(=O)O)N=C2C4=CC=CC=C41)C(F)(F)F 1 4.079 3 2 -6.04070609123096 781440 CC1=CC(=NN1CC(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-] 1 1.982 4 3 0 -17.0934086001949 781438 CCC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=C(C=C3)OC 1 3.331 3 2 -4.5993941190383 781426 C1=CC(=CC=C1C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)O)F 1 3.684 3 2 -8.47891510650272 781423 CCC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=C(C=C3)Cl 1 4.011 3 1 -2.36442921930734 781422 CC1=C(C=C(C(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NN3C=NN=C3)Cl 1 3.295 5 3 0 1.56192048491791 781410 CC1=CC(=C(C=C1C2=CC=C(O2)C=NN3C=NN=C3)C)[N+](=O)[O-] 1 3.116 5 3 0 0.566279382944613 781397 CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)C=O 1 3.04 3 1 -6.71792563102163 781375 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=C(CCC3)C#N 1 3.067 2 3 -16.4176872165517 781360 CCOC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)Cl 1 2.09 3 3 -8.2433555551102 781354 CC1=CC=C(C=C1)C=NNC(=O)C2=C(N=C3N2C=C(C=C3)Cl)C 1 3.285 4 1 -3.35820115971143 781348 CC1=CC=C(C=C1)C2=NCC(=O)NC3=C2C=C(C=C3)Br 1 3.535 2 1 0.874068589631191 781345 C1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)N 1 2.652 4 0 1.19067097922344 781344 CC1=CN=NN1C2=CC=C(C=C2)[N+](=O)[O-] 1 1.629 4 2 0 -3.79430932138445 781328 C1COCCN1C(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl 1 3 1 3 -6.48454665168483 781283 CC1(C(=NC(=[N+]1[O-])C2=CN=CC=C2)C3=CC=CC=C3)C 1 1.941 3 1 0 -0.602276435684913 781247 CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)O)C(=O)C 1 3.549 1 2 -0.285340819807713 781246 C1=CC(=CC=C1NN2C(=O)C=CC2=O)Br 1 2.159 2 2 -0.417651308350058 781245 CC1=CC=C(C=C1)NN2C(=O)C=CC2=O 1 1.896 2 2 0 -0.782990253835438 781236 C1CC1COP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 3.622 0 2 -3.93282833011162 781221 C1=CC=C(C(=C1)C(=O)CC(=O)C2=CC=C(C=C2)F)O 1 3.118 0 3 4.16632552125588 781196 C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4S3 1 3.607 1 2 7.06143220480378 781191 CC(=NNC(=O)C1=CC=CC=C1[N+](=O)[O-])CCC2=CC=CC=C2 1 3.039 3 3 -11.028451742038 781181 CC1=NC(=CC=C1)NC(=O)NC2=CC=CC=C2OC 1 2.177 3 2 -6.65622602096781 781174 C1=CC=NC(=C1)NC(=O)NC2=CC(=CC=C2)F 1 2.116 3 1 -0.385069235139341 781173 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3 1 3.723 3 1 4.20579647259224 781164 COC1=C(C=C(S1)SC)C=NNC(=O)C2=CC=NC=C2 1 1.969 3 2 0 -2.97079290087639 781158 C1=CC(=CC=C1NC(=O)NC2=NC=C(C=C2)Br)Cl 1 3.324 3 1 -3.00272758767024 781157 CCN1C2=C(C=C(C=C2)C=NN3C=NN=C3)C4=CC=CC=C41 1 3.093 5 0 4.27709546739397 781156 C1=CC(=CC(=C1)Br)NC(=O)NC2=CC=C(C=C2)F 1 3.476 2 1 -0.240436569984694 781155 CCOC(=O)C1=CC=C(C=C1)NP(=O)(C)OC2=CC=C(C=C2)OC 1 2.561 1 5 0.292671863407496 781151 CC1=CC(=CC(=C1)OP(=O)(C)NC2=CC=CC(=C2)C(F)(F)F)C 1 4.288 1 2 10.2352790606367 781140 CC12CN3CC(C1O)(CN(C2)C3C4=CC=C(C=C4)OC)C 1 1.896 2 2 0 -1.89972374411586 781138 CC12CN3CC(C1O)(CN(C2)C3C4=CC=C(C=C4)N(C)C)C 1 2.075 3 1 -4.14804391358438 781134 C1CCN(CC1)C(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 3.118 2 2 -18.8069763076142 781117 C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)Br 1 3.37 1 1 -7.3797733949241 781112 C1=CC=C(C=C1)C#CC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.719 1 3 -2.59858756816404 781111 COC1=C(C(=O)C2=CC=CC=C2C1=O)N3CCOCC3 1 0.904 1 4 0 -1.97051873702306 781108 CC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2 1 3.64 0 2 0.227264048531095 781104 CC(=O)N1C2=CC=CC=C2OC3=CC4=CC=CC=C4C=C31 1 3.371 1 2 1.28449388737338 781091 CC1=NN(C(=C1C=NO)N2CCCCC2)C3=CC=CC=C3 1 3.369 4 1 3.82649578563063 781084 CC1=C(C(=O)N=C(N1C2=CC=C(C=C2)O)C)C3=CC=CC=C3 1 2.785 2 2 -0.825624390790959 781071 C1=CC=C(C=C1)C2=CC(=NC(=N2)C(=O)NN)C3=CC=CC=C3 1 2.557 4 1 -0.169690438343411 781070 C1=CC=C(C=C1)C2=NC=C3C(=N2)C=CC4=CC=CC=C43 1 3.916 2 0 8.85240239300072 781069 C1=CC=C(C=C1)C2=NC(=O)C=C(N2)C(F)(F)F 1 2.089 2 1 -3.28915908542016 781058 CC1=CC=C(O1)C2=C(N(C3=C([N+]2=O)CCCC3)[O-])C 1 1.151 2 3 0 -3.52733851459192 781057 C1CCC2=C(C1)N(C3=C([N+]2=O)CCCC3)[O-] 1 1.052 2 2 0 -4.40611833181664 781047 CC1=C(OC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)C 1 2.271 1 4 -4.23985202845165 781037 COC1=CC=C(C=C1)NC(=O)C2=CC3=NC=CN=C3C=C2 1 2.062 3 2 -3.94099568014727 781034 CC1=CC(=CC=C1)NCC2=NC3=CC=CC=C3N2C 1 3.623 3 0 3.57939333284659 781025 CCOC(=O)N1CCN(CC1)C(=O)NC2=CC=CC=C2 1 1.361 3 3 0 -5.84016753363446 781019 C1=CC=C2C(=C1)NC(=N2)SCC3=C(C=CC=C3F)F 1 4.423 2 0 -2.708741048931 781002 COC1=CC=C(C=C1)C2=NC(=NN2)N 1 1.273 4 1 0 2.86754265380709 781001 CC1=CC=C(C=C1)N(C2=C(C(=CC(=N2)C)C)C#N)C(=O)C 1 3.255 3 1 -6.58682746546354 780996 CC1=CC(=NC2=NC3=CC=CC=C3C(=C12)N)C 1 2.42 3 0 2.01582330110313 780993 CC1=C(SC2=C1C(=O)N(C=N2)C3=CC=CC=C3OC)C 1 2.934 2 2 -7.3957127554794 780992 CC1=C(SC2=C1C(=O)N(C=N2)C3=CC=CC=C3)C 1 2.951 2 1 -7.24591598801308 780985 C1=CC=C2C(=C1)N=C(N2CCOC3=CC=CC=C3Cl)N 1 3.643 3 1 1.13416091419753 780983 COC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2N 1 2.962 3 2 1.06290710117224 780981 CC1=CC=CC=C1C2=CC3=NC(=CC(=O)N3N2)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.678 4 3 0 -0.659411747142799 780975 C1=CC=C2C(=C1)C3=CC=CC=C3C2=NNC(=O)C4=CC=CC=N4 1 3.294 3 1 -8.9088157343353 780972 CC1=CC2=C(O1)C3=CC=CC=C3N=C2C 1 2.747 1 1 0.154280076031104 780960 CC1=C(C(=S)C2=C(N1)C(=CC=C2)OC)CC=C 1 3.577 1 1 -7.73475675967403 780945 CCC(=O)NC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)Cl 1 4.128 3 1 -2.87451655386342 780934 C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3 1 3.787 1 3 -11.3623452066718 780930 CC1=CC=CC=C1N(C(=O)C)C2(CCCCC2)CC=C 1 4.295 1 1 -8.4669092251007 780919 CC1=CN=C(C2=C1C3=CC=CC=C3OC2=O)N 1 2.078 2 2 -2.38549236945503 780902 C1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N 1 1.707 4 0 0 -1.62366551334989 780883 CCN(CC)C1=CC(=C(C=C1)C=O)OC 1 2.432 1 2 -3.37190039579791 780881 CC1=C(C(=NC(=N1)C2=CC=CC=C2)N)C(=O)C 1 1.486 3 1 0 2.39487961561687 780821 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3CCCCC3 1 4.995 1 2 3.42320855348932 780806 C1=CC=C(C(=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CO3 1 2.189 2 4 -4.70168808561369 780764 COC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC 1 3.032 3 3 -6.42043103937553 780684 CC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2CCN4CCCC4 1 3.963 4 1 -5.27705646124249 780682 CC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2CC=C 1 3.98 3 1 -7.86100746800499 780681 CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=C(C=C3)C 1 4.236 3 1 -6.04802807567949 780674 CN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CC=C3 1 2.877 3 1 -4.62835276940695 780665 CC1(CC2=C(C(N1)(C)C)SC(=C2C#N)N=CN3CCCC3)C 1 2.533 4 0 -13.9608357807629 780661 CCC1=CC2=C(N=CN=C2S1)N3C(=C(C=N3)C(=O)OCC)N 1 2.272 5 2 0 -9.79157061355899 780654 C1CC2=C(C=C(O2)C(=O)O)C(=NNC(=O)C3=CC=CC=C3)C1 1 2.34 2 4 -12.3807293565958 780643 C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.467 3 0 6.47471514552131 780626 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=NC=C2)C 1 2.271 2 2 -3.68144863608986 780615 COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NC3=CC=C(C=C3)Cl 1 3.347 2 3 -3.0883307189069 780604 C1=CC(=CC=C1NC(=O)C2=C(OC3=CC(=O)C=CC3=C2)N)Cl 1 1.806 2 3 0 -1.07022193280872 780553 C1=CC2=C(C=C1Cl)C=C(C(=O)O2)C(=O)N 1 1.526 1 3 0 -4.26213914764408 780598 C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CSC(=N3)N 1 3.587 2 1 8.9165559430529 780578 C1=CC2=C(C=C1Cl)C=C(C(=O)O2)C(=O)NC3=NC=CS3 1 2.306 2 3 -8.65082097155532 780576 CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3C2=O 1 3.589 1 2 -1.44658828156938 780510 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N=CC3=CC(=CC=C3)O 1 3.969 2 2 3.75128399939658 780492 CC1=C2C(=C(C=C1)OC(=O)C(F)(F)F)CCCN2 1 3.511 1 2 -9.1443640477833 780457 C1=CC=C(C=C1)C(=O)/C=C(\C(=O)O)/NC2=CC=CC=C2 1 2.903 1 3 -1.50896283635665 780449 C1=CC(=C(C(=C1)Cl)C=NNC(=O)C2=CC=C(C=C2)F)Cl 1 4.217 2 1 -4.95131681951115 780441 C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)Br)F 1 3.637 2 1 -3.64229228498453 780435 CCOC(=O)NN=CC1=CC=CC=C1F 1 2.216 2 2 -4.64540951446706 780423 CN1C=NN=C1SCC2=CC=CC=C2 1 2.066 3 0 -13.3720798526859 780419 CCOC(=O)C1=C(C=C(N2C1=NC3=CC=CC=C32)C)C 1 3.308 2 2 -7.97857438505528 780407 COC1=CC=C(C=C1)C=NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4 1 3.723 3 3 -1.85259921045308 780402 C1CCN(CC1)CC(=O)NNC(=O)C2=CC(=CC=C2)Br 1 1.878 3 2 0 -7.63110297040334 780389 C1CN\2CCC1C(=NO)/C2=C\C3=CC=CC=C3 1 2.172 2 1 1.89015630241349 780385 C1CC(=NC2=CC=CC=C21)NC3=CC=CC=C3 1 3.112 2 0 -1.45055648283237 780384 CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3CC2 1 3.598 2 0 -1.12548934744662 780382 COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3CC2 1 3.096 2 1 -1.53845555659076 780373 C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NC(=S)S3 1 4.054 2 1 -6.45230942104889 780368 CCSC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)O 1 3.177 2 2 -12.1167438781989 780358 COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C)OC 1 0.995 1 4 0 -15.991527572686 780357 C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=NC=CS3 1 2.52 2 1 -3.34477282628101 780343 CCOC1=CC2=C(C=C1)C(=O)C(=C(O2)C)OC3=CC=CC=C3 1 3.498 0 4 -2.88209547008394 780302 C1=CC=C(C=C1)C2=CC(=NC(=N2)NN)C3=CC=C(C=C3)Br 1 3.853 4 0 7.06471326329309 780288 COC1=C(C=C(C=C1)Cl)C(=O)NC2=CN=CC=C2 1 2.112 2 2 -3.33016702922051 780283 C1CC1NC=C2C(=O)C3=CC=CC=C3C2=O 1 1.212 1 2 0 1.12070624372995 780282 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CN=CC=C2 1 2.461 2 4 -11.1427869636039 780278 C1=CC(=CN=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 3.333 2 2 2.9070722694614 780277 CCC1=CC=C(C=C1)NC(=O)CN2C=C(N=C2C)[N+](=O)[O-] 1 2.196 4 3 0 -9.25857751461614 780276 CC1=NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C13 1 3.801 1 1 -0.108561800596073 780275 CC1=CC(=NC(=N1)NNC(=O)C2=CC=CC=C2O)C 1 1.065 4 2 0 -0.945198656173162 780272 CCC(=O)NC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C 1 3.95 3 1 -4.69651524445024 780262 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=CC=C2C)C 1 3.556 2 3 -6.35550289623252 780261 CC1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2 1 1.8 5 1 0 -13.389289417588 780260 CCOC(=O)C(=C(NC1=CC=CC=C1)NC2=CC=CC=C2)C(=O)C 1 3.6 2 3 -0.922652759791362 780203 CC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)N3CCOCC3 1 2.881 3 2 -2.76542993348612 780197 COC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC=NC=C3 1 1.617 3 2 0 -4.50749113519292 780186 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)SCC(=O)N 1 2.401 1 2 -7.09252313389139 780184 CC(=C1C(=O)C2=CC=CC=C2C1=O)NC3CC3 1 1.726 1 2 0 -3.95863512842126 780172 CCC(=NO)C(C)(C)/[N+](=C/C1=CC=C(C=C1)Br)/[O-] 1 2.781 2 2 1.88478111138693 780144 C1=CC=C(C=C1)P(=O)(CC2=CC=NC=C2)C3=CC=CC=C3 1 3.833 1 1 -3.19014139758569 780136 C1CN(CCN1CC2=CC=CC=C2C(F)(F)F)C(=O)C3=CC=CO3 1 3.122 2 2 -1.32795880827834 780129 CC1=NC(=CN1CC(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 1.918 4 3 0 -7.19714068825023 780086 CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CO3 1 2.666 2 2 -0.125510599808399 780088 C1=CC=C(C=C1)P(=O)(CC2=CC=CC=N2)C3=CC=CC=C3 1 4.048 1 1 -4.62821551977975 780105 CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=CC=C3)F 1 3.476 2 1 -1.02596030248144 780101 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=NC3=CC=CC=C3N2 1 2.767 3 2 -3.95772683043834 780062 CC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)NN 1 3.59 4 0 6.69937431780771 780059 CC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N(C)N 1 3.796 4 0 5.09345504059462 780042 CCOC1=CC=C(C=C1)C2=C(N=CN2)[N+](=O)[O-] 1 2.292 3 3 -0.852498376351444 780040 CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)COC3=CC=CC=C3 1 3.74 0 5 -0.62677770059974 780036 CCOC(=O)C1=C2CCCN2C3=C1C=C(C=C3)OC(=O)C 1 2.702 1 4 -4.52386265207462 780023 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2)C 1 2.866 1 2 -8.03734727498113 780021 CCOC(=S)NC(=O)C1=C(C2=CC=CC=C2S1)Cl 1 4.53 1 2 -5.67359031682321e-002 780016 COC1=CC=CC(=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OC 1 3.49 1 3 -3.75419964177947 780004 COC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)Br)Cl 1 4.011 1 2 -5.10791326918946 779986 CCC1=CC=C(S1)C=NC23CN4CN(C2)CN(C3)C4 1 2.319 4 0 -1.80026146007367 779984 C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.795 2 3 -4.87965212753445 779939 CCN1C(=CC(=O)N=C1SCC(=O)N2CCOCC2)O 1 0.401 3 4 0 -16.9281308717427 779946 CCN1C(=CC(=O)N=C1SCC(=O)NC2=CC=CC=C2OC)O 1 2.068 3 4 0 -17.4755905344659 779947 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)[N+](=O)[O-] 1 4.513 2 3 -3.01644838418328 779980 CN1C(=CC(=O)N=C1SCC(=O)NC2=CC=C(C=C2)OC)O 1 1.719 3 4 0 -13.3223868232926 779968 C1CN(C2=CC=CC=C21)C(=O)C3=CC=CS3 1 2.848 1 1 -12.9876272454868 779949 CN(CCC1=CC(=C(C=C1)OC)OC)CC2=C(C=C(C=C2)F)F 1 4.186 1 2 4.17309042356335 779921 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3(CCCC3)C#N 1 1.655 4 1 0 -12.4618500794746 779920 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3(CCCCC3)C#N 1 2.112 4 1 -12.8163185936427 779890 C1CC1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NN 1 2.315 3 1 -3.75097392610109 779882 COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CCO 1 2.053 2 2 3.50282478772616 779878 COC1=C(C(=O)N(N=C1)C2=CC=C(C=C2)[N+](=O)[O-])Cl 1 1.428 3 4 0 -3.24099728621098 779866 C1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)CN4CCCC4 1 3.082 2 2 -3.08093903813542 779863 COC1=NN(C(=O)C(=C1Cl)Cl)C2=CC=CC=C2 1 2.418 2 2 0.954936517692672 779855 CN(C)CCNC1=C(C(=O)OC2=CC=CC=C21)N 1 7.6e-002 3 2 0 -2.41556680228765 779847 CCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.841 2 4 -10.3736928794242 779846 CC(C)(C)NC1=C(C(=O)OC2=CC=CC=C21)N 1 0.869 2 2 0 -5.46652216527094 779844 CC1=CC(=CC=C1)N2C(=O)C(=C(C=N2)OC)Cl 1 2.02 2 2 -0.187359845568349 779841 CC1=CC=C(C=C1)OCN2C3=CC=CC=C3SC2=O 1 4.205 1 2 1.23478458953443 779825 CN(CCC1=CC=CC=N1)CC2=C(C=C(C=C2)Cl)Cl 1 4.128 2 0 6.12639532874465 779819 CSC1=NN=C(O1)C2=CC=CC=C2Cl 1 2.877 2 1 -1.93418902174938 779818 C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.687 3 3 -8.55449711592644 779814 C1CN(C2=CC=CC=C21)C(=O)/C=C/C3=CC=CO3 1 2.758 1 2 -5.76534911953336 779803 C1=CC(=C(C=C1Cl)Cl)OCC(=O)NCC2=CC=NC=C2 1 2.635 2 2 -7.42565939771878 779799 C1=CC(=CN=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 2.539 4 3 0 -10.292984280533 779791 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 4.027 2 3 -3.30592063825675 779786 CN(C)C1=CC=C(C=C1)C(=NO)C(F)(F)F 1 2.887 2 1 -0.862095740099985 779759 CN(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=CC3=CC=CC=C32 1 4.683 1 2 4.17252062917741 779754 CN(C)C1=C(C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl)Cl 1 2.856 2 2 -1.84077479047894 779738 C1=CC=C2C(=C1)N(C(=O)S2)COC3=CC=C(C=C3)Cl 1 4.383 1 2 3.05678328012125 779734 CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC 1 3.991 4 0 -11.0594886602658 779720 C1=CC=C(C=C1)CCC(=O)NNC(=O)NC2=CC=C(C=C2)Cl 1 2.935 3 2 -8.03052444321681 779704 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.513 2 3 -1.02707877344068 779699 C1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC=CC3=C2N=CC=C3 1 3.521 1 3 -13.8761040560767 779697 C1CC(=O)C(=CNC2=CC=CC(=C2)C(F)(F)F)C(=O)C1 1 2.508 1 2 -2.5418619643568 779695 COC1=CC=C(C=C1)OC2=CC(=NC(=N2)N)F 1 2.495 3 2 -0.108697913605143 779684 CCN1CCN(CC1)CC2=CC3=C(C(=C2)OC)OCO3 1 1.961 2 3 0 0.293703643053455 779678 CN1C(=CC(=O)N=C1SCC(=O)NC2=CC=CC=C2)O 1 1.736 3 3 0 -13.0660747525218 779677 COC1=CC=CC=C1C2=C(C(=NC3=C2CCC3)N)C#N 1 2.916 3 1 -3.90188983570703 779663 CC1=C(C(=O)N=C(N1C2=CC=C(C=C2)OC)C)C3=CC=CC=C3 1 3.011 2 2 -3.11846471107425 779656 COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2 1 0.49 1 5 0 -20.1940176263797 779651 CCOC(=O)CSC1=NN=C(O1)C2=CC=CC=C2OC 1 2.252 2 4 -15.9115733957131 779647 CC1=CC(=CC=C1)CN2C(=O)C(=C(C=N2)Cl)Cl 1 2.708 2 1 7.82472643890493 779646 C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.501 5 1 0 -16.2049370498118 779642 COC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3 1 2.832 3 3 -14.4742100276923 779619 CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CS2 1 2.807 1 3 -11.8116387187926 779612 COC1=CC=CC=C1NC(=O)CC2=CC=CS2 1 2.586 1 2 -11.0183407843156 779610 C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=CS3 1 3.854 1 1 -6.28454546566955 779609 C1=CC=C(C=C1)NC(=O)CC2=CC=CS2 1 2.602 1 1 -7.64328017513365 779601 COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 3.562 3 4 0 -1.70323790844248 779596 CCC1=C(N=C(NC1=O)SCC(=O)NC2=CC=CC=C2OC)O 1 2.416 3 4 0 -19.9754775969641 779593 C1=CC=NC(=C1)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.58 3 3 0 -12.6627104320371 779573 CC1=CC(=CC=C1)N2C(=O)C(=C(C=N2)Cl)Cl 1 2.701 2 1 6.26760035910634 779564 CN1C(=CC(=O)N=C1SCC(=O)NC2=CC=CC=C2OC)O 1 1.719 3 4 0 -16.4411353617037 779548 C1CCN(CC1)C(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)O 1 2.859 3 3 -15.9406887081468 779542 C1=CC=C(C=C1)N2C(=O)C(=O)C=C(N2)Cl 1 1.391 2 2 0 -0.185911235279194 779529 CCNC1=NC(=NC(=N1)OCC)NC(C)C 1 1.588 5 1 0 -7.49910312736646 779525 CCC1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC 1 3.575 1 2 -5.66989187123991 779520 C1COCCN1CCNS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.896 2 3 0 -5.50417596767553 779509 CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)Cl 1 3.422 4 1 -1.27338249310905 779504 CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)F 1 3.462 1 2 -2.82355366367753 779502 C1COCCN1CCN2C(=O)C3=CC=CC=C3C2=O 1 0.688 2 3 0 -6.39487057100179 779491 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)OC 1 1.353 1 4 0 -14.316829157252 779470 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.47 3 4 0 -13.7849827610258 779462 CC(C)NC1=NC(=NC(=N1)NC2CCCCC2)Cl 1 3.1 5 0 -7.95956383328735 779435 CCOC1=NC(=NC(=N1)NC2=C(C=C(C=C2)OC)OC)OCC 1 3.053 4 4 0 -4.08093666753793 779428 C1=CC=C(C=C1)N2C(=CC(=O)NC2=S)O 1 2.729 2 2 -3.92953951834327 779426 CC(=O)N(C1=C(C2=CC=CC=C2OC1=O)N3CCOCC3)C(=O)C 1 0.173 2 5 0 -7.49797629218871 779411 CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 3.001 2 4 -4.1408817281568 779394 CCOC(=O)N1CCN(CC1)C2=NN3C(=NN=N3)C=C2 1 -0.557 7 2 0 -8.59987950079004 779388 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.01 2 4 -17.8381806210611 779382 CCC1=CC=CC(=C1NC(=O)C2=CN=CC=C2)C 1 2.892 2 1 -7.79876148146055 779379 C1CN(CCN1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)Cl 1 3.446 3 1 0.428089057251635 779378 CCSC1=NC(=O)C=C(N1C2=CC=C(C=C2)OC)O 1 3.008 2 3 -8.64444240936212 779377 CC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC=C3C 1 5.65 3 0 -6.91954720997571 779376 CC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=CC=C3C 1 5.65 3 0 -7.54224286508448 779375 CC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC=C3Cl 1 5.828 3 0 -6.81447056596601 779374 CN1C2=CC=CC=C2N=C1N=CC3=CC=CC=C3[N+](=O)[O-] 1 2.937 4 2 3.98854425990702 779371 CC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC=C3 1 5.163 3 0 -7.78366246290532 779369 CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)OC)C 1 4.634 3 1 -2.5618593865666 779368 CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)Cl)C 1 5.315 3 0 -0.326894486835639 779364 CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3)C 1 4.651 3 0 -2.62340959373766 779355 CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])OC3=CC=CC=C3 1 2.465 2 4 -3.42696774613329 779336 CC1=C(C(=NN1CC(=O)NCC2=CC=CC=C2)C(F)(F)F)Cl 1 3.303 3 1 -12.5623319269262 779319 C1CC1C(=O)/C=C/C2=CC=C(C=C2)NC(=O)CCC(=O)O 1 1.751 1 4 0 -13.0564889099493 779314 CSC1=NN=C(O1)C2=CC=CC=C2 1 2.212 2 1 -1.27837290646164 779313 COC1=CC2=C(C=C1)OC(=C2C(=O)N)C3=CC=CC=C3 1 2.929 1 3 3.27655418000672 779312 CC1=C(C2=C(O1)C=CC(=C2)O)C(=O)OC(C)C 1 2.618 0 4 -5.69824798706709 779311 C1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3Cl)Cl 1 3.109 2 2 -2.41136253697545 779298 C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O 1 1.604 1 5 0 -5.65517367137527 779296 C1OC2=C(O1)C=C(C=C2)CSC3=CC=CC=C3C(=O)O 1 3.353 0 4 -9.28451216199068 779290 C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 1.954 2 3 0 -3.26916344957367 779278 C1CCN(CC1)C2=C(OC3=CC=CC=C32)C(=O)N4CCCCC4 1 3.835 2 2 1.24324759926124 779260 COC1=C(C(=O)N(N=C1)C2=CC=CC(=C2)C(F)(F)F)Cl 1 2.476 2 2 3.06503401950336 779251 COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCOCC3 1 1.199 2 4 0 -5.18457033844926 779241 CC(C)(C)NC(=O)CSC1=NC(=O)C=C(N1C2=CC=CC=C2)O 1 2.667 3 3 -20.189557805615 779240 C1CN(CCN1CCO)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl 1 3.546 2 2 10.3011125594535 779239 C1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3)Cl 1 2.445 2 2 -3.44382120173459 779214 CC(C)(C)C1=CC=C(C=C1)OC2=C(C=NN(C2=O)C)Cl 1 2.934 2 2 4.28863827683315 779196 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br 1 1.786 1 4 0 -13.5977862281505 779179 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)N3CCOCC3 1 0.138 3 4 0 -10.3595649519247 779111 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC(=CC=C2)OC)C 1 3.759 1 3 1.10973417833751 779170 CC1=CC=CC=C1C(=O)N(C)CC2=CC=CC=C2 1 3.313 1 1 -5.38766643979838 779151 C1CCN(CC1)CC(=O)NC2=CC=CC=C2Cl 1 2.538 2 1 -4.59516437888287 779146 CC1=CC(=C(C(=C1)C)NC(=O)CCCN2CCOCC2)C 1 2.672 2 2 -9.43879205879534 779100 CC1=CC(=NC(=N1)SCCN2CCCCC2)C 1 2.735 3 0 -4.75239060632223 779088 CCC1(COC(OC1)(C)CC(=O)NNC(=O)NC2=CC=CC=C2)C 1 1.297 3 4 0 -11.4240791052296 779087 CC1(OCCCO1)CC(=O)NNC(=O)NC2=CC=CC=C2 1 -1.1e-002 3 4 0 -10.7563612491152 779081 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O 1 3.487 2 4 -3.93835195925969 779066 CN(CCC1=CC=CC=N1)CC2=CC(=C(C=C2)Cl)Cl 1 4.128 2 0 4.86677753465325 779063 C1COCCN1C2=C(C(=O)N(C2=O)C3=CC(=CC=C3)Cl)Cl 1 1.88 2 3 0 -1.64143260730767 779036 C1CCC(CC1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 3.241 4 3 0 -10.0732196840857 779028 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 1.314 3 2 0 -7.11617735191912 779019 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl 1 3.334 2 2 -4.84622941148463 778969 C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4 1 2.914 3 2 3.12029483957823 778965 COC1=C(C=C(C=C1)C=NNC(=O)CCC2=CC=CC=C2)O 1 2.915 2 3 -5.90633879749688 778948 C1=CC2=C(C(=C1)OC(=O)/C=C/C3=CC=CO3)N=CC=C2 1 3.311 1 3 -6.27352154030269 778923 CC1=CC=CC=C1NC(=O)N(C(C)C)C(C)C 1 3.091 2 1 -5.07209520952951 778916 CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC=NN2C 1 1.597 5 3 0 -16.9531874240774 778909 C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=CN=CC=C3 1 2.837 4 1 -10.2465406409756 778908 CC1=NC2=C(C=CC=C2NC(=S)NC(=O)C3=CC=CC=C3)C=C1 1 4.235 3 1 -9.31984125210056 778907 CC1=NC2=C(C=CC=C2NC(=S)NC(=O)C3=NN(C=C3)C)C=C1 1 3.313 5 1 -9.82672480819094 778905 CC1=NC2=C(C=CC=C2NC(=S)NC(=O)C3=CC=NN3C)C=C1 1 3.176 5 1 -13.100104049064 778872 CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)C 1 3.411 1 2 -4.04073746449985 778822 CC1=CC=C(C=C1)SCCC2=CN=C(C=C2)C 1 3.894 1 0 0.451516288009194 778815 CC(C)(C)C1=CC=C(C=C1)SCCC2=CC=NC=C2 1 4.526 1 0 6.04570851559498 778812 CC(C)(C)SC1=CC=CC=C1S(=O)(=O)C(C)(C)C 1 3.76 0 2 -5.20497405505361 778795 CSC1=CC(=C(S1)SC)C=NO 1 2.651 1 1 8.90002212400643 778779 CC(=O)C1=CC(=CS1)CN2C(=O)C3=CC=CC=C3C2=O 1 2.139 1 3 -2.26770300186577 778774 COC(=O)N(C1=CC=CC=C1)P2(=S)OCCO2 1 2.115 1 4 -6.36921733560564 778764 CCNC(=O)C1(CCCC1)C2=CC=CC=C2 1 2.841 1 1 -8.75365962142278 778757 CC(C)(C)NC1=NC(=NC(=N1)NCC2=CC=CC=C2)Cl 1 3.03 5 0 -5.99263027714821 778746 COC(=O)OC1=C(C(=O)OC2=CC=CC=C21)Br 1 2.467 0 5 -2.29063909042122 778714 CC1=CC=CC=C1N2C(=CC(=N2)C3=CC=C(C=C3)N)N 1 3.12 4 0 2.18974565738423 778707 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)NNC(=O)C)C 1 0.873 5 3 0 -7.67592597328978 778693 CC1=NN(C2=C1C=CC=N2)CC3=CC=CC=C3 1 2.594 3 0 -3.88906719190806 778691 CC1=CC(=S)N(N1C)C2=CC=CC=C2 1 2.754 2 0 -3.32195730344115 778690 CC(=O)NC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C)C3=CC=CC=C3 1 2.368 4 2 -3.0271051806616 778688 CC(=O)CC(=O)NC1=NN(C=C1)C2=CC=CC=C2 1 1.626 3 2 0 -2.04985796879458 778683 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NN2C3=CC=CC=C3)C 1 3.437 3 2 -4.97684849220039 778626 CC1=CC=C2N1CCN3C2=CC(=C3)C 1 2.98 2 0 -2.00497170297925 778625 CC1=CC=C2N1CCN3C2=C(C(=C3)C4=CC=CC=C4)C 1 4.499 2 0 1.12950715229034 778579 COC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=CC=CC=C2 1 3.392 0 4 -6.70951495204524 778562 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC(C)(C)C 1 3.509 5 0 -5.79260843679729 778521 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2Cl)NN 1 1.184 5 2 0 -5.13020994945479 778514 COC(=O)CN(N1C=NN=C1)S(=O)(=O)C2=CC=CC=C2Cl 1 0.513 4 4 0 -9.60423794168101 778513 C1[C@@H]([C@H]1C(=O)NN)C2=CC=CC=C2 1 0.717 2 1 0 -3.2345154376082 778511 CCN(C#N)C1=NC(=NC(=N1)NC(C)C)NC(C)C 1 1.457 7 0 0 -7.72442389958088 778510 C1[C@@H]([C@@H]1C(=O)NN)C2=CC=CC=C2 1 0.717 2 1 0 -3.2345154376082 778508 CCNC1=NC(=NC(=N1)N(CC#C)C#N)NC(C)C 1 1.923 7 0 0 -12.4132348698474 778505 C1=CC=NC(=C1)NCN2C=NC=N2 1 0.624 5 0 0 -4.39772321921456 778503 C1=CC(=NC=C1Cl)NCN2C=NC=N2 1 0.816 5 0 0 -3.0539110681022 778494 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)NN)C 1 1.006 5 2 0 -3.70551793690902 778488 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)Cl)NN 1 1.184 5 2 0 -1.6952226519884 778482 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2)NN 1 0.52 5 2 0 -4.41323098181137 778472 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2)OC 1 1.865 3 3 0 -10.4666816336748 778469 CNC1=NC(=NC(=N1)SC)N(C)C#N 1 0.861 6 0 0 -4.10623778819907 778465 CC1=NN(C(C1)(C)C)C(=S)N 1 0.828 3 0 0 -2.80067291944732 778449 C1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)O 1 3.442 1 2 -4.44241260533235 778448 CC1=CC=C(O1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F 1 3.292 2 3 1.04951367091393 778447 CC1=C(C2=CC=CC=C2N1)C3=NC4=CC=CC=C4N3 1 3.709 3 0 4.06488332318828 778446 CC1=CC=C(C=C1)NCCC2=CN=C(C=C2)C 1 3.161 2 0 -3.08697076310467 778443 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CS2)O 1 2.41 2 3 -12.7113120812482 778441 COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CS2)OC 1 2.635 2 3 -18.6274221645397 778438 CC1=CC=C(O1)/C=C(\C#N)/C(=O)NCC2=CC=CO2 1 1.651 2 3 0 -16.0515011090337 778426 CN1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)Cl)Cl)OC 1 2.216 2 3 -9.16572945425411 778421 CC1=C(C=CC(=C1)OC)S(=O)(=O)N2C=NC3=CC=CC=C32 1 3.172 2 3 -4.78084976947541 778415 CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)OC 1 2.562 1 5 -3.20801047640572 778407 C1=CC(=CC(=C1)C(F)(F)F)CSC2=NN=C(S2)N 1 3.166 3 0 -3.82095482086611 778405 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N)OC 1 1.287 2 5 0 -11.4693386945594 778399 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)OC 1 2.268 1 5 -10.0437210387767 778398 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)OC)OC 1 2.268 1 5 -6.5957922959038 778396 CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)N2CCOCC2 1 1.299 1 5 0 -15.2567696981792 778392 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2C3=CC=CC=C3N=N2 1 2.759 3 4 0 -8.48508352263944 778388 COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 2.268 1 5 -3.36381353004825 778386 COC1=C(C=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)OC 1 2.291 1 4 -8.53341147994576 778383 COC1=CC=CC(=C1)NS(=O)(=O)CC2=CC=CC=C2 1 2.308 1 3 -3.35694777189409 778356 C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3 1 3.897 2 2 0.20483656460604 778353 C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.599 1 2 -10.1024728143006 778346 C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3=CC4=NSN=C4C=C3 1 2.425 4 3 0 -3.62436349619846 778345 C1CCCN(CC1)C(=S)NC2=CC3=NSN=C3C=C2 1 4.549 4 0 -7.91596080905157 778344 C1CCC(=CC1)CCNC(=O)NC2=CC3=NSN=C3C=C2 1 3.401 4 1 -6.41561836437319 778341 C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC4=NSN=C4C=C3 1 3.991 4 2 -6.03929751617372 778335 CN1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl 1 1.149 2 2 0 -6.33973773915602 778333 C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SN=N3 1 3.069 3 1 -10.3059298200336 778332 CC1=CC(=NC=C1)NS(=O)(=O)C2=CC=CS2 1 1.978 2 2 0 -3.73926841742536 778331 C1=CSC(=C1)S(=O)(=O)NC2=NC=C(C=C2)Br 1 2.241 2 2 -6.2777719877927 778292 CC1=NC2=C(C=C(C=C2)NC(=O)N3CCOCC3)N=C1C 1 0.869 4 2 0 -8.3630126596474 778330 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=CS2 1 1.492 2 2 0 -3.62912061030543 778319 CC1=C(C=C(O1)C(C)(C)C)C(=O)NC2=CC=CC(=C2)C(=O)O 1 3.185 1 4 -6.15491954403929 778318 CC1=CC(=NC=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.159 2 4 -8.24657279955562 778317 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CN=CC=C2)OC 1 1.134 2 4 0 -8.43124954006219 778315 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=N2)OC 1 1.673 2 4 0 -7.89919286168927 778310 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)OC 1 1.375 1 4 0 -17.0910391212702 778306 C1=CC2=C(N=C1)N=C(N2)SCC3=CC=C(C=C3)F 1 3.262 3 0 -3.570901564933 778300 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NN=C(S3)N 1 -0.596 7 2 0 -15.4450088331922 778296 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC3=CC=CC=C32 1 3.021 1 4 -13.1280807754716 778282 CC1=C(C=CO1)C(=O)NC2=CC=CC(=C2)C(=O)O 1 1.493 1 4 0 -4.91763522587193 778279 CC1=CC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)CC(C)C)C 1 4.125 2 2 -6.55642794976993e-002 778277 CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=CN=CC=C2 1 2.817 2 2 0.932091230721906 778274 CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2 1 3.356 2 2 1.46414790909483 778269 CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 3.058 1 2 -8.78906128194702 778250 COC1=CC2=C(C=C1)C=C(C(=N2)Cl)C#N 1 2.752 2 1 0.944383057036013 778235 CC1=CC=C(C=C1)C2=CC=C(N2C3=CC(=CC=C3)O)CCC(=O)O 1 4.751 1 3 -1.6985631241714 778234 COC(=O)CC1=NNC(=O)C2=CC=CC=C21 1 0.87 2 3 0 -14.7265986282415 778233 C1=CC=C2C(=C1)C=C(N2CC3=CC=CC=C3F)C=NO 1 4.236 2 1 -1.34886616269591 778231 CS(=O)(=O)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)F 1 1.529 3 2 0 -7.30860511787868 778230 CN1C=NN=C1SCC(=O)N2CCC3=CC=CC=C32 1 1.4 4 1 0 -22.2225186055038 778223 CN(C)C(=O)N1CCN(CC1)C2=NC(=CS2)C3=CC=CC=C3 1 1.735 4 1 0 -3.60460470676953 778217 CC1=CC(=C(C=C1)NC(=O)CC2=NC3=CC=CC=C3C(=C2)C(=O)O)C 1 3.866 2 3 -8.50668925675969 778212 C1COCCN1C(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)F 1 3.262 1 2 -12.445639465185 778194 CC1=CC(=NC(=C1C(=O)N2CCOCC2)Cl)Cl 1 2.014 2 2 -9.51460318474359 778192 C1CCC(C1)CCC(=O)NC2=CC=CC(=C2)CC3=CC=NC=C3 1 4.146 2 1 -9.76644071153073 778164 CC1=CC(=C(C=C1)OC(=O)C2=C3C(=CC=C2)N=C(O3)C)C(=O)C 1 3.274 1 4 -5.3739057581547 778154 CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CC3=CNC4=CC=CC=C43 1 3.828 4 1 -11.870583513973 778148 CC1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)C(=O)C3=CC=CS3 1 3.426 2 2 -8.7550453604895 778140 CC1=C(C=C(O1)C(=O)O)CSC2=NN=C(N2C)C3=CC=CC=C3 1 3.162 3 3 -9.29472504530317 778137 CC1=C(C(=NC(=C1Cl)C)Cl)C(=O)NCC2=CC=CC=C2 1 3.777 2 1 -6.29796225756536 778135 C1=CC(=CC(=C1)NCCC(=O)C2=CC=CO2)C(F)(F)F 1 3.48 1 2 2.23414363053223 778125 CC1=CC=CC=C1CNC(=O)COC2=CC=CC=C2 1 2.943 1 2 -10.1184247724595 778095 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2CCCC3 1 4.317 1 2 -3.97647832778509 778084 C1CN(CCC1C(=O)O)C(=O)C2=CC=CC=C2Cl 1 2.01 1 3 -8.28825159551608 778083 C1CN(CCN1)C2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCOCC4 1 0.615 7 1 0 -5.22239786804023 778079 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3CC3 1 2.814 2 2 -5.22964099398668 778073 CC1=NN(C(=C1C2=CC=CC=C2)N)C(C)(C)C 1 2.59 3 0 0.514126211079848 778071 CC1=C(OC(=C1)C(C)(C)C)C(=O)NC2=CC=C(C=C2)CC(=O)O 1 3.852 1 4 -6.53067393173974 778068 CC(C)(C)C1=CC=C(O1)C(=O)NC2=CC=C(C=C2)CC(=O)O 1 3.366 1 4 -7.77686929493667 778062 C1CN(CCC1C(=O)N)C(=O)CCSC2=CC=C(C=C2)Cl 1 2.024 2 2 -4.75215956531763 778032 COC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)NCC3=CN=CC=C3 1 2.066 2 3 -3.25053024327668 778001 CC1=C(N=C(S1)NC(=O)C2=C(C=CC=C2F)F)C3=CC=CC=C3 1 4.115 2 1 -6.44405962694236 777996 C1=CC(=CC(=C1)F)C2=CSC(=N2)N 1 2.233 2 0 10.7147325724934 777988 CC1=CC(=CC=C1)NC2=NC(N=C(N2)N)(C)C 1 1.445 5 0 0 2.65508581774793 777977 C1=CSC(=C1)C(=O)NNC(=O)C2=CC=NC=C2 1 0.674 3 2 0 -7.74612100572443 777975 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3F)NCC4=CC=CO4 1 3.854 3 1 2.85847282050231 777972 CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N)OCC2=[N+](ON=C2C)[O-] 1 -1.35 4 5 0 -12.9401191626226 777965 CCOC(=O)CN1C(=S)NC2(N1)CCCCC2 1 1.665 3 2 0 -5.98135924594507 777957 CC(C)COC(=S)NC1=CC=CC=C1 1 4.156 1 1 -4.46982446888564 777950 CCOC1=CC=C(C=C1)C(=O)C2=NC3=C(N2O)CCCCC3 1 1.581 2 3 0 -2.63594566113436 777949 CCOC1=CC=C(C=C1)C(=O)C2=NC3=C(N2O)CCCC3 1 1.124 2 3 0 -2.28147714696628 777936 C1CSC2=CC=CC3=C2C(=CC=C3)NC1=O 1 2.334 1 1 -5.31015566223006 777925 CC1=NC(=CN1CC(=O)OC)[N+](=O)[O-] 1 0.324 3 4 0 -8.13988828461768 777911 CCC(=O)C1=CC(=C(C=C1)N2CCCCCC2)F 1 3.977 1 1 -2.94779515286037 777910 COC1=CC(=CC(=C1OC)OC)CNC(=O)C2CCCC2 1 2.578 1 4 -11.1031948512084 777859 CC(C)N1C(=O)CCN(C2=CC=CC=C21)C=O 1 1.064 2 2 0 -3.9193991004105 777857 C1CN(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)C=O 1 1.921 2 2 0 -3.41409441653664 777852 CCC(=O)N1C(=O)CCN(C2=CC=CC=C21)C(=O)C 1 0.867 2 3 0 -10.5796184257167 777820 CC1=C(C(=CC=C1)C)N(CC(=O)N2CCN(CC2)C)S(=O)(=O)C 1 1.142 3 3 0 -9.73169335644763 777819 C1CCC2(CC1)CC3=CC=CC=C3C4=NN=NN24 1 2.854 4 0 -6.84500072936249 777817 COC1=CC=CC(=C1)C(=O)NNC(=O)CC2=CSC(=N2)N 1 0.569 4 3 0 -7.41055323947305 777816 CCOC(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=CC=C3)C 1 2.965 3 2 -9.84178887945052 777812 CC1=CC(=CC=C1)OC2=C(C(=O)N(C3=CC=CC=C32)C)[N+](=O)[O-] 1 2.951 2 4 -1.4696327830199 777811 CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-] 1 3.165 3 3 -5.14348557494177 777810 CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCN(CC2)C 1 3.358 3 1 -6.60187004154328 777806 CC1=C(C=CC(=C1)C(=O)N2CCOCC2)[N+](=O)[O-] 1 1.312 2 4 0 -10.5447498248928 777799 CC1=CC(=NC2=CC=CC=C12)NC3CCCCC3 1 4.236 2 0 4.87873158419348 777798 C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)NN 1 0.292 5 2 0 -2.39521780558055 777772 CCN1C=NC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C 1 2.874 3 2 -4.04113875068353 777771 CC(=O)NC1=CC2=C(C=C1)N(C=N2)C3CCCCC3 1 2.53 3 1 -9.12553892743338 777770 CCC(=O)NC1=CC2=C(C=C1)N(C=N2)C3=CC=C(C=C3)OC 1 2.898 3 2 -1.79801104054323 777761 CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NC2=CC=NC=C2 1 2.13 3 2 -15.2748221892656 777760 CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NC2=CN=CC=C2 1 2.13 3 2 -15.551670210596 777759 CC1=CC(=NC=C1)NC(=O)C2=CC=CC=C2NC(=O)C(C)(C)C 1 3.156 3 2 -13.7266164172252 777758 CC1=C(N=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C(C)(C)C 1 3.156 3 2 -14.8199801453415 777757 CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NC2=CC=CC=N2 1 2.669 3 2 -14.5077255189318 777756 CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NCC2=CC=CO2 1 2.47 2 3 -20.8885177251864 777753 CC1=NN2C3=CC=CC=C3N(C2=NC1=O)CC=C 1 1.698 4 1 0 -10.671408726669 777752 CC1=NN2C3=CC=CC=C3N(C2=NC1=O)CC(=O)C4=CC=CS4 1 2.29 4 2 -12.1790155889881 777746 C1=CC=C(C=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O 1 3.013 4 2 -18.534670450189 777703 CC1=NC2=C(N1)C=C(C=C2)C(=O)NN=C/C(=C/C3=CC=CC=C3)/C 1 3.266 4 1 -8.97176753918769 777691 C1=COC(=C1)CNCC2=CC=C(C=C2)F 1 2.338 1 1 1.41126319377108 777683 CN1C=NN=C1SCC2=CC=C(C3=CC=CC=C23)F 1 3.18 3 0 -11.4366039446033 777678 C1=CC(=CC=C1C(=O)COC(=O)C2=C(C=C(C=C2)O)O)Cl 1 3.121 0 5 -2.87937898356233 777661 CC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)C3CCCCC3 1 3.665 3 2 -5.4663861881515 777656 CC(C)(C)CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.824 4 3 0 -13.5594246157146 777650 CC(C)(C)C(=O)NC1=NN=C(S1)CC2=CC=C(C=C2)OC 1 2.914 3 2 -16.5832201321355 777645 COCC(=O)NC1=NN=C(S1)CC2=CC=C(C=C2)OC 1 1.104 3 3 0 -12.6062110828791 777644 COCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 0.264 2 4 0 -19.5802403274496 777626 CC(C)(C)CC(=O)NC1=NN=C(S1)C(F)(F)F 1 2.354 3 1 -9.43408802986245 777625 CC1=C(C=CO1)C(=O)NC2=CC=CC(=C2)/C=C/C(=O)O 1 1.961 1 4 0 -0.617999309566226 777611 CC1=CC=CC=C1C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)OC 1 3.518 3 2 -13.9674634681459 777602 CC(C)(C)C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C 1 2.648 2 3 -13.4843075365015 777589 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC=C3 1 2.636 2 2 -12.1952853003032 777562 C1CCCC(CCC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 3.675 2 2 -12.8022775696237 777550 CC1=C(C(=NN1C(=O)C2=NN(C=C2Cl)C)C)Br 1 2.847 4 1 -2.54107221056683 777541 CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N3CCOCC3)F 1 3.775 1 2 -1.33326688235512 777511 CC1=CC(=C(C=C1)NC2=NC3=C(S2)CCC3)C 1 3.646 2 0 -0.796436387971588 777481 C1CN(CCN1C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.828 2 3 0 -19.7976042871033 777476 CCCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=CO2 1 0.519 2 4 0 -22.4416895214545 777466 C1=CSC(=C1)C2=CC(=NC(=N2)SCC(=O)O)C(F)(F)F 1 3.866 2 2 -7.63566922906254 777454 COCN1C2=CC=CC=C2N=C1COC3=CC=CC=C3 1 3.163 2 2 0.107180452106633 777446 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=CC(=O)CCC3 1 1.06 3 2 0 -16.5767685648286 777437 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3 1 1.419 2 4 0 -20.4983925691105 777436 C1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC3=CC=CC=C3OC2=O 1 1.736 2 5 0 -14.7866471448741 777429 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2N 1 2.487 3 1 -0.427765641294882 777426 COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=O)N2N 1 1.952 3 4 0 -7.70002011607966 777398 CC1(CC(CC(N1)(C)C)NC2=CC(=O)CC(C2)(C)C)C 1 1.589 2 1 0 -20.0622822131445 777371 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CCC2=CC=CC=N2 1 3.652 1 2 -5.71707923119157 777370 C1CC2=CC=CC3=C(C=CC1=C23)CS(=O)(=O)CCC4=CC=NC=C4 1 3.626 1 2 -0.832525661466032 777365 C1=COC(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F 1 3.146 2 3 1.28514105353399 777351 CC1=CC=C(O1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC 1 3.07 2 4 -7.53295636954624e-002 777341 C1CCN(CC1)CC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42 1 4.257 2 1 -3.9303853526847 777331 CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)NC3=CC=CC=C3)(C)C 1 3.962 2 2 -3.50865064538181 777330 CC1=CC(=C(C=C1)C)NC(=O)CN2C(=NC=C2[N+](=O)[O-])C 1 1.811 4 3 0 -12.7182567453037 777327 CC1=CC(N(C2=CC=CC=C12)C(=O)NC3=CC=CC=C3)(C)C 1 3.979 2 1 -2.70171377812024 777324 CC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C=C(N3)C4=CC=CC=C4 1 3.421 5 1 -3.21807108090253 777323 CCOC(=O)NN=CC1=CC=C(S1)C 1 2.109 2 2 -4.12176438111402 777322 CC1=NC(=NC2=CC=CC=C12)NC3=NC(=O)C=C(N3)C4=CC=CC=C4 1 2.935 5 1 -4.78227065252916 777317 CC1=CC(=C2C(=C1)C(=NC(=N2)NC3=NC(C=C(N3)C)(C)C)C)C 1 3.391 5 0 -2.91267971606829 777308 C1C2(COC(O1)C3=CC=NC=C3)C(=O)N=C(S2)N 1 0.387 3 3 0 -6.02139819123896 777304 CCOC(=O)NN=CC1=C(C=CS1)C 1 2.45 2 2 -5.49639823858515 777298 C1CN(C(=N1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F 1 2.977 2 1 -1.87793199566799 777296 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN=C2C3=CC=CC=C3 1 2.722 2 4 -6.67432374493943 777295 CC1=CC(=CC(=C1)C(=O)N2CCN=C2C3=CC=CC=C3)C 1 3.743 2 1 -3.47201119287571 777294 C1CN(C(=N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 2.771 2 1 -3.67848805069083 777275 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC 1 2.417 1 5 -6.9675612735051 777252 CN1C(=O)C=C(NC1=O)NC2=CC=C(C=C2)Cl 1 1.925 3 2 0 -0.879144868603521 777248 CC1=CC(=CC=C1)NC2=CC(=O)N(C(=O)N2)C 1 1.747 3 2 0 -0.420756754328615 777246 CN1C(=O)C=C(NC1=O)NC2=CC=CC=C2 1 1.261 3 2 0 -2.85779769756369 777240 CC(C)CCNC1=CC(=O)N(C(=O)N1C)C 1 1.192 3 2 0 -12.8764298050864 777239 CC(C)CNC1=CC(=O)N(C(=O)N1C)C 1 0.804 3 2 0 -10.9142405071023 777234 CN1C(=CC(=O)N(C1=O)C)NC2CCCCC2 1 1.47 3 2 0 -10.1070196414867 777231 CN1C(=CC(=O)N(C1=O)C)NCCC2=CC=CC=C2 1 1.517 3 2 0 -8.77339189424416 777230 CC1(CC(=CC(=O)C1)NCCN2CCNCC2)C 1 0.409 3 1 0 -19.3349903443694 777225 CC1(CC(=O)C(=CNCC2CCNCC2)C(=O)C1)C 1 0.322 2 2 0 -15.9446703728158 777214 CC1(CC(=CC(=O)C1)NCCC2=CC=C(C=C2)OC)C 1 2.737 1 2 -13.8754564531952 777209 C1CCCN(CC1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.546 2 3 -9.88414571049049 777206 CC1=CC=CC(=C1O)C(=O)NNC2=CC(=O)CC(C2)(C)C 1 1.855 2 3 0 -13.6309812168479 777205 CC1=C(C=C(C=C1)NC(=O)CN2C=C(N=C2C)[N+](=O)[O-])C 1 2.226 4 3 0 -9.45535078781097 777204 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)C 1 4.026 1 2 -12.4693548002829 777201 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NCC3=CN=CC=C3 1 2.414 2 3 -8.21790097218914 777199 C1=CC=C(C=C1)NCC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] 1 2.994 2 4 -8.11783855608439 777191 CCC1=CC=C(C=C1)NC2=CC(=NC3=NC=NN23)C 1 3.554 5 0 -9.21920458874347 777181 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C 1 1.181 3 4 0 -12.2231627905531 777146 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2)N3C(=CC(=N3)C)C 1 2.536 5 2 0 -10.4620621259143 777142 CC1=CC(=NC(=N1)N(C#N)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C 1 0.883 5 3 0 -9.84034041894939 777129 CCOC(=O)CC1(N2CC3(CN1CC(C2)(C3=O)C)C)C 1 0.959 2 3 0 -10.0784019643971 777124 CC1(CC2=C(CO1)SC(=C2C(=O)N)NC(=O)NC3=CC=CC=C3)C 1 1.85 3 3 0 -15.4002172520298 777117 CN1C(=CC(=O)N(C1=O)C)NC2=CC=C(C=C2)Cl 1 2.131 3 2 -5.24158251666214 777105 COC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C(=O)C3=CC=CC=C3 1 3.689 1 4 -4.48432646216321 777103 CC1=C(C(=O)N=C(N1C2=CC=CC(=C2)/C=C/C(=O)O)C)C3=CC=CC=C3 1 3.125 2 3 -1.27004643003803 777101 CC1=C(C(=O)N=C(N1C2=CC=C(C=C2)C(=O)O)C)C3=CC=CC=C3 1 2.657 2 3 -5.57805246027645 777098 C1=CC=C(C=C1)C(=O)C2=CC=C(O2)C(=O)NC3=CC=C(C=C3)O 1 3.463 1 4 -2.19148614187992 777097 C1=CC2=C3C(=C1)NC(=NC3=CC=C2)C4=CC=C(C=C4)N 1 2.783 3 0 -3.53282018696514 777096 CC1(C(=O)N(C2=CC=CC=C2N1)CCC(=O)N3CCOCC3)C 1 0.648 3 3 0 -16.9352032829783 777095 CC1(C(=O)N(C2=CC=CC=C2N1)CCC(=O)N(C)C3=CC=CC=C3)C 1 2.537 3 2 -14.4145251102138 777084 CCSC1=NC(=O)N(C(=C1C(=O)C)C)C2=CC=CC=C2 1 2.789 2 2 -6.81878045862514 777081 CCC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)C 1 3.483 2 3 0.131141627372147 777056 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)N 1 1.497 2 3 0 -6.76745398399732 777054 C1=CC(=CC=C1CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)C(=O)O 1 1.705 1 6 0 -5.87974397013005 777053 CC1=CC=C(S1)/C=C\2/C(=O)C3=CC=CC=C3S2 1 3.793 0 1 2.01929644913912 777052 C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)CCC(=O)O 1 2.246 2 4 1.61875730688426 777049 COC1=CC=CC(=C1)C(=O)NC2=CN=CC=C2 1 1.447 2 2 0 -5.6995759174848 777041 CC(C)(C)C(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3N2 1 3.937 3 1 -3.26781176736238 777030 COC1=C(C2=C(CN(C2=O)C3=CC=C(C=C3)O)C=C1)OC 1 2.299 1 4 -4.23704242962517 777010 CC(=O)C1=C(C2=C(S1)N=C(C=C2)C3=CC=CS3)N 1 2.925 2 1 -4.53262636472238 776996 COC1=CC=C(C=C1)CNCC2=CC(=CC=C2)OC3=CC=CC=C3 1 4.495 1 2 4.26274066135224 776952 C1=COC(=C1)CNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.165 2 4 -9.58722973536347 776949 CCOC(=O)C1=C(SCC1=O)NC2=CC=CC3=CC=CC=C32 1 3.351 1 3 -7.28352939533625 776948 C1CCC2=C(C1)C(=C(S2)N=CC3=CN=CC=C3)C#N 1 3.324 3 0 -5.48454615684169 776942 CC1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 2.154 5 3 0 -14.5526378124742 776941 C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F 1 1.424 2 2 0 -8.17823169955595 776934 CC1=C(C=CC(=C1C)O)NS(=O)(=O)C2=CC=CC=C2 1 3.048 1 3 -0.129337367032859 776928 COC1=CC=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 3.612 2 3 -6.4369527373944 776925 CCOC(=O)C1=C(C(=C(N1)C)C(=O)C2=C(C=CC(=C2)F)F)C 1 3.866 1 3 -6.30694774468557 776924 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CCCCCC3 1 3.561 1 3 -12.3902623516007 776918 C1=CC=C(C(=C1)C#N)NC(=S)NC(=O)C2=CN=CC=C2 1 2.494 4 1 -11.9098855570616 776913 CN1C2=CC=CC=C2C3=NNC(=O)N=C31 1 0.972 4 1 0 -7.75263042925287 776903 C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.796 2 3 -10.3622612314232 776902 CC1=CC=C(C=C1)C(=O)NC2=NCCS2 1 2.588 2 1 -11.3525385651059 776900 CC1=C(C(=CC=C1)NC(=O)CSC2=CC=CC3=C2N=CC=C3)C 1 4.166 2 1 -7.68457007954048 776898 C1=CC=C(C=C1)C2=C(OC(=N2)SCC(=O)N)C3=CC=CC=C3 1 3.421 2 2 9.31152069512652e-002 776896 CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=CC=C2 1 1.988 2 2 0 -3.54079268183917 776895 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CN=CC=C2 1 1.068 3 4 0 -10.3219099974966 776892 CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.883 3 4 0 -4.64178660343546 776890 CC1=CC(=CC=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.514 2 4 -1.10865848944468 776889 C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CN=CC=C2)Br 1 3.364 3 1 -10.8520907874618 776887 CC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN(C)C)C=C1 1 2.46 3 2 -8.74482433822604 776886 CC1=CC(=NC(=N1)SCC2=CC=CC=C2C#N)C 1 3.141 3 0 -9.6019251009782 776884 C1C2(COC(O1)C3=CC=CC=C3Cl)C(=O)N=C(S2)N 1 2.202 2 3 -8.21057522035484 776881 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCCC(=O)O 1 3.948 2 2 -11.7180038227125 776880 COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CN=CC=C2 1 2.599 3 2 -10.4325504084808 776878 CC1=CC=C(N1C2=C(C=CC(=C2)N)OC)C 1 2.234 2 1 -2.2189402113415 776869 COC1=CC=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F 1 4.423 2 2 -4.96308676994223 776867 CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CN=CC=C2 1 2.146 2 2 -5.05715768095442 776866 C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC=CO2)Br 1 3.909 2 2 -8.39836602403434 776864 C1=CN=C(N=C1)SCC(=O)NN=CC2=CC=CS2 1 1.772 4 1 0 -10.6231530077935 776862 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)OC 1 0.601 1 5 0 -19.403690356888 776861 CC1=C(NC(=S)SC1)C 1 2.382 1 0 -4.21732751037815 776851 C1COCCN1CC2=CC=C(C=C2)N 1 0.844 2 1 0 1.8910179164744 776847 C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)O 1 2.331 2 3 -8.82306985549655 776845 CC1=CC=C(N1C2=C(C=C(C=C2)C(=O)O)C)C 1 3.113 1 2 -4.64088091373081 776840 CC1=NN(C=C1)CCC(=O)O 1 0.492 2 2 0 -14.4010960030233 776819 CC1=C(C=CC(=C1)N)C2=CC3=CC=CC=C3OC2=O 1 3.118 1 2 3.81129305040851 776817 C1=CC(=C(C=C1Cl)Cl)C2=CC=C(O2)C(=O)O 1 3.993 0 3 5.46522380314641 776815 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)O 1 2.559 1 5 -0.41240611215715 776763 C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.276 1 4 -1.95052867450841 776759 C1=CC(=C(C=C1C(=O)NC2=CC=NC=C2)[N+](=O)[O-])Cl 1 2.022 3 3 -7.32587989406391 776754 COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CN=CC=C3 1 2.356 2 2 -4.32361791315658 776751 COC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OC)OC 1 3.473 1 4 -8.56482814315991 776748 C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3F 1 1.424 2 2 0 -10.2278989061647 776746 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)[N+](=O)[O-] 1 3.819 3 3 -8.59883264402255 776740 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 3.422 2 2 -6.63049924659903 776732 CC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 3.76 2 2 -5.1083741900813 776731 C1CN(CCN1C(=O)CC2=CC=CC=C2)C(=O)C3=CC=CO3 1 1.555 2 3 0 -9.34299077014634 776728 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=NC=C3 1 0.958 3 3 0 -4.43007243543622 776717 CC(C)CC(=O)N1CCN(CC1)C(=O)CCC2CCCC2 1 2.543 2 2 -11.4665704635322 776712 C1CN(CCN1C(=O)C2=CC=C(C=C2)F)C(=O)C3=CN=CC=C3 1 1.18 3 2 0 -6.18551949623415 776707 C1CN(CCN1C(=O)C2=CC=NC=C2)C(=O)C3=CC=CO3 1 0.369 3 3 0 -5.16845620463516 776699 C1CN(CCN1C(=O)C2=CN=CC=C2)C(=O)C3=CC=CC=C3F 1 1.18 3 2 0 -8.55946201108638 776697 CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)F 1 2.041 2 2 -9.26276202183103 776692 C1=CC=C2C(=C1)NC(=N2)C3=CSC(=N3)N 1 1.949 4 0 0 6.94671577003981 776691 C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3 1 1.218 2 2 0 -10.1263341168296 776690 C1CCC(C1)CCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.227 2 3 -8.77720413754497 776686 C1CCC(C1)CCC(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3 1 2.668 2 3 -8.87374636740006 776676 CC1=C(C=C(C=C1)NC2=NC(=CC(=N2)C)C)[N+](=O)[O-] 1 2.43 4 2 -4.46428359403463 776673 CC1(CC2=C(CS1)C(=S)SC(=C2C#N)N)C 1 2.526 2 0 -2.19946017815857 776662 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2=CC=C(C=C2)OC 1 4.094 2 2 -5.86222865111752 776659 C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2C(=O)C3=NC=CN3 1 2.319 3 2 -10.2478673961848 776658 C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NC3=CN=CC=C3 1 0.748 3 3 0 -13.442667878158 776657 C1=CC(=CC=C1/C=C/C(=O)O)S(=O)(=O)N(CCO)CCO 1 -3.5e-002 1 6 0 -7.32931090783139 776647 C1=CC=C(C=C1)CN(CC2=CC=CS2)C(=S)NCC(=O)O 1 3.582 2 2 -13.9783887610674 776645 C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)N=CC=C2 1 2.133 2 4 -7.97806587909173 776643 C1=CC(=CC(=C1)Br)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)O 1 3.432 2 3 3.97819707860213 776639 C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NCC(=O)O 1 2.691 3 2 -13.6159567466875 776634 COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=C(C=C3)F 1 4.866 3 1 -7.83184614467026 776628 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC=CC=C3 1 4.066 4 0 -7.78652407075022 776618 CC1=C(C=C2CSC(SCC2=C1)C3=CC=C(C=C3)O)C 1 5.259 0 1 0.596885855724904 776616 C1=CC=C2C(=C1)N=C(N2CC(=O)N)C3=NON=C3N 1 0.355 6 2 0 -6.23344368376751 776614 CCC1=CC(=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)OC)C(=O)O 1 3.294 1 4 -7.66676451023075 776612 C1CC2=C(C1)SC(=C2C(=O)O)NC(=O)/C=C/C3=CC=CO3 1 2.82 1 4 -10.258073354036 776606 COC1=CC=CC=C1NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 3.697 2 5 0 -5.27534898899794 776598 COC1=CC=CC(=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 3.697 2 5 0 -1.81918608018895 776591 CC1=CC(=CC=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 4.2 2 4 0.124720287596655 776585 COC1=C(C=C(C=C1)Cl)/C=C(\C#N)/C(=O)N 1 1.787 2 2 0 -5.63202391448119 776578 CCC1=NC(=O)C(=C(N1C2=CC=CC=C2)C)C3=CC=CC=C3 1 3.694 2 1 -2.86194813301177 776571 CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)CCC2=CC=CC=C2 1 1.482 3 3 0 -14.7399838509175 776568 CC1=C(C(=O)N(C(=N1)C)C)C2=CC=CC=C2 1 1.451 2 1 0 -3.31085037841884 776566 CCNC1=NN=C(S1)C2=CC=NC=C2 1 0.763 4 0 0 -3.32553321874586 776563 CC(C)CCN1C=NC2=C1N=CN=C2NCC3=CC=CC=C3 1 3.011 5 0 -6.41767911000783 776555 CC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)O)C 1 2.058 0 4 -12.2674735800517 776524 CC1=C(C(=NN1CCCC(=O)O)[N+](=O)[O-])Cl 1 1.774 3 4 0 -11.4785780823467 776465 CC1=CC(=O)N=C(N1)SCC(=O)N2CCCC3=CC=CC=C32 1 2.341 3 2 -21.2200958364201 776480 C1C2=C(NN=C2C3=CC=CC=C3O1)C(=O)O 1 1.879 2 3 0 -1.11040448082664 776512 C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C=NN2)C=O 1 1.737 3 3 0 -2.06634145815766 776488 CCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN 1 1.355 4 2 0 -0.746813276371617 774878 CCC(=O)NC1=NC=C(C=C1)Br 1 1.754 2 1 0 -6.20898242562633 774862 CN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)[N+](=O)[O-] 1 3.37 3 2 2.80861437081319 774860 C1COCCN1C2=CC=C(C=C2)C=NN3C=NNC3=S 1 1.854 5 1 0 -4.06394063373707 774836 C1C2=CC=CC=C2CN1C3=CC(=C(C=C3)C(=O)O)O 1 2.716 1 3 1.20332994661605 774828 CN1C(=NN=N1)SCC(=O)NCC2=CC=CC=C2 1 0.867 5 1 0 -23.9040570853344 774824 C1=CC=C(C(=C1)C=NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])F 1 2.818 3 3 -5.4347825337134 774817 C1CCC(C1)CCNC(=O)C2=CC=CS2 1 3.112 1 1 -7.95566850023345 774814 C1OC2=C(O1)C=C(C=C2)CNC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 2.751 2 5 0 -9.12899699804604 774802 CC1=C(OC(=C1)COC2=CC=CC=C2)C(=O)O 1 2.986 0 4 -2.91534830640138 774798 CC1=C(OC=C1)C(=O)NC2=CC=C(C=C2)CC(=O)O 1 2.16 1 4 -9.85764537082268 774780 C1CCCC2(CC1)NC(=O)C3=CC=CC=C3O2 1 2.786 1 2 -2.23089371421454 774775 CS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=CO2 1 -0.185 2 4 0 -19.3089989849097 774774 CC1=C(C(C(=C(N1)C)C(=O)C)C2=CC=CS2)C(=O)C 1 1.364 1 2 0 -16.9364310216684 774765 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COC1=CC=C(C=C1)OCC(=O)NN=CC2=CC=CO2 1 1.897 2 4 0 -5.86975049835523 774613 C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)Cl)/C=C/C(=O)O 1 3.376 1 3 0.171272795081915 774608 CN(C)C1=CC=C(C=C1)C=NNC(=O)COC2=CC=C(C=C2)OC 1 2.664 3 3 -8.18620220160144 774600 CC1=CC=C(C=C1)OCC(=O)NN=CC2=CC=CO2 1 2.4 2 3 -5.31150771801153 774598 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)OCC(=O)O 1 2.033 1 4 -10.0365599791112 774561 CCOC(=O)C1=C(C2=CC3=C(N2C1=O)CCCC3)SCC 1 3.649 1 3 -9.81870684684049 774556 COC1=CC=C(C2=CC=CC=C21)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.469 3 4 0 -5.33732953051733 774551 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC=CC=C3 1 2.032 4 3 0 -14.7191065399001 774529 CC1=C(SC=C1)C=NNC(=O)NC2=CC=CC=C2 1 3.031 3 1 -3.00122941577541 774527 CC1=NN=C(S1)SCC(=O)N2C3=C(CCCC3)C4=CC=CC=C42 1 4.289 3 1 -10.6073666435733 774523 C1CC1C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 3.779 1 1 -2.31566984632012 774490 CC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2 1 2.959 2 1 4.72743099527434 774489 C1=CC=C(C=C1)CSCC(=O)NC2=NC=CS2 1 2.012 2 1 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CC1(CC(CC(N1)(C)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C 1 1.672 3 3 0 -15.1995327124455 774424 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)OC 1 3.255 2 3 -1.23488298488377 774420 COC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 4.205 1 2 -5.26270070764986 774385 CC1=CC=CC=C1C2=NNC(=S)O2 1 3.029 2 1 -3.6657562797009 774378 CC(C)COC(=O)N1C[C@@H](C[C@H]1C(=O)NC2=CC=C(C=C2)Cl)O 1 2.221 2 4 -4.92974693807425 774367 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.417 2 3 -8.78470966135203 774354 CN1C=CC=C1C=NNC(=O)C2=CC=NN2 1 1.009 5 1 0 -7.90636045238597 774300 CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCCC2)N 1 2.639 2 3 -6.00025416927079 774285 CC1CCN(CC1)CCC(=O)NN 1 9.9e-002 3 1 0 -4.71998056664513 774276 COC1=CC=C(C=C1)CNC(=O)CSCC2=CC=CC=C2Cl 1 3.669 1 2 -13.883908773483 774271 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)C(=C(N2)C)C(=O)OC)O 1 1.517 1 5 0 -11.6159709054256 774268 CC1=CC=CC=C1CSCC(=O)NC2CCCC2 1 3.326 1 1 -13.7748651786495 774234 C1CCC(=NNC(=O)C2=CC=C(C=C2)Cl)C1 1 2.616 2 1 -6.33717594546127 774216 CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CN=CC=C2 1 1.407 4 3 0 -10.7076989734079 774210 C1CCCC(CC1)NC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.934 2 2 -16.964399730873 774199 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.971 2 4 0 -19.1215456975112 774191 COC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C3=CC=CC=C3C=C2)O 1 2.521 2 4 -2.72072427915437 774190 CC1(CC(=CC(=O)C1)NCC2=CC=C(C=C2)OC)C 1 2.416 1 2 -13.9669786097753 774189 COC1=CC=CC(=C1)C(=O)NNC(=O)C2=C(C3=CC=CC=C3C=C2)O 1 2.521 2 4 -3.36595045594011 774178 CC1(CC(=O)C(=CNCC2=CN=CC=C2)C(=O)C1)C 1 0.602 2 2 0 -13.0129822813763 774175 CC1(CC(=O)C(=CNCC2=CC=C(C=C2)OC)C(=O)C1)C 1 1.736 1 3 0 -10.9030590901111 774167 COC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC=CC=N2 1 0.968 3 4 0 -10.0957092154487 774163 CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCN(CC2)C 1 2.187 2 2 0.327432828952645 774159 CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCCCC2 1 3.147 1 2 -2.42960354591611 774146 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 3.78 3 1 1.31576702776645 774143 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=O)C3=C(C=C(C=C3)O)O 1 2.905 2 4 2.98065327205152 774142 C1=COC(=C1)C2=NC3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=CO4 1 3.608 2 4 2.25741443319356 774124 C1=CC=C(C=C1)CCC(=O)NNC(=O)C2=CC=CO2 1 1.757 2 3 0 -11.1194722254676 774121 COC1=C(C=C(C=C1)CC(=O)NNC(=O)C2=CC=CO2)OC 1 1.268 2 5 0 -12.1465579700006 774120 COC1=CC=C(C=C1)CC(=O)NNC(=O)C2=CC=CO2 1 1.285 2 4 0 -8.16972125050738 774118 C1CCC(CC1)C(=O)NNC(=O)C2=CC=CO2 1 1.728 2 3 0 -5.23075147450817 774115 C1=CC=C2C(=C1)C=CC=C2C(=O)NNC(=O)C3=CC=CO3 1 2.175 2 3 -4.04489414491941 774107 C1=CC=C(C(=C1)C#N)NC(=S)NC2=CC=C(C=C2)F 1 4.451 3 0 -5.59022840548864 774105 CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)F 1 4.904 2 1 -3.77528185450035 774099 CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)F)C 1 5.544 2 0 -2.95221137284561 774094 C1=CC=C(C=C1)CNC(=O)CC2=NNC(=O)C3=CC=CC=C32 1 1.806 3 2 0 -19.7119704053905 774089 CN(C)C1=CC=C(C=C1)/C=C/[N+](=O)[O-] 1 1.972 2 2 0 4.81391074460532 774088 C1OC2=C(O1)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.085 1 4 -4.93646964407278 774061 CCOC(=O)CN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl 1 2.373 2 3 -2.26332339295045 774058 CC1=CC2=C(C(=C(N=C2C=C1)C)C(=O)C)C3=CC=CC=C3 1 4.043 1 1 1.70742627861146 774053 COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NN3C=NN=C3 1 2.128 5 4 0 1.28594889051472 774049 COC1=C(C=CC(=C1)C=NN2C=NN=C2)OCC3=CC=CC=C3 1 2.595 4 2 -4.08075565636463 774045 COC1=CC(=CC(=C1OC)OC)C=NN2C(=NN=N2)N 1 0.531 6 3 0 -8.15076641762119 774041 CC(=O)OC1=C(C=C(C=C1)C=NN2C(=NN=N2)N)OC 1 0.331 6 3 0 -9.81888159171768 774036 COC1=C(C=C(C=C1)C=NN2C(=NN=N2)N)OC 1 0.547 6 2 0 -8.68520287495777 774033 C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)O 1 1.135 2 3 0 -4.64721930593541 774032 C1COCCN1C(=O)CSC2=NC3=CC=CC=C3O2 1 1.392 2 3 0 -9.77556314121866 774031 COC1=C(C=C(C=C1)Br)C=NN2C(=NN=N2)N 1 1.312 6 1 0 -1.77278213217612 774024 C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.852 3 4 0 -3.81585754241998 774021 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 1.878 3 5 0 -4.08468119408884 774017 C1=CC(=NC=C1Br)NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.165 3 4 0 -5.22413032577986 774012 CS(=O)(=O)N1CCC(CC1)C(=O)O 1 -0.528 1 4 0 -14.387507146594 774010 COC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.012 2 5 0 -3.40927025191795 774009 C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2)O 1 2.477 2 2 -11.9591459496691 774008 C1=CC=NC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.562 3 3 -6.39037022671766 774002 C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C4=CC=CC=C4F 1 4.483 1 1 -3.22954070506361 773998 C1=CC(=CC=C1S(=O)(=O)CC(=O)N)Cl 1 0.874 1 3 0 -5.46742428609248 773989 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=C(C=C(C=C3)Cl)Cl 1 4.538 1 2 2.9606560943262 773986 C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.829 2 3 -8.07913341264515 773982 COC1=CC=C(C=C1)OCCN2C=NC3=CC=CC=C32 1 3.167 2 2 -3.55255243890049 773981 C1C(=S)NC2=CC=CC=C2S1 1 2.549 1 0 -2.59671263371403 773976 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.768 2 5 0 -6.71098657357048 773972 CC(=NNC1=NN=C(C2=CC=CC=C21)Cl)C 1 1.821 4 0 0 -4.83075398919352 773970 CC(C)(C)C(=O)NNC(=O)C1=NC=CN=C1 1 -0.12 4 2 0 -13.1849032734834 773959 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=CS3 1 2.404 2 3 -7.05896696891296 773957 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CN=CC=C2 1 1.956 3 3 0 -7.81535741231543 773952 C1CN(CCC1=NNC(=O)C2=CC=CC=C2O)CC3=CC=CC=C3 1 2.519 3 2 -1.31574254200545 773946 C1CN(CCC1C(=O)N)C(=O)COC2=CC=CC3=CC=CC=C32 1 1.462 2 3 0 -6.08113004068429 773942 CCOC(=O)C1CCN(CC1)C(=O)COC2=CC=CC3=CC=CC=C32 1 2.663 1 4 -9.29360986315644 773928 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=NC=C4 1 3.513 3 1 9.02344519315913 773925 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC=C2OC 1 1.271 2 5 0 -10.3577702018074 773920 C1=CC=C(C=C1)CCC(=O)NNC(=O)CC2=CC=C(C=C2)Cl 1 3.061 2 2 -7.76182199134677 773914 CC(=NNC(=O)C1=CC(=C(C=C1)Cl)Cl)C2=CC=CC=N2 1 3.27 3 1 -4.46130809137311 773901 CCOC1=CC=CC(=C1)NC(=O)/C(=C/C2=CN=CC=C2)/C#N 1 2.103 3 2 -13.2432235722236 773897 C1=CC=C(C(=C1)C=NNC(=O)C2=CC=C(C=C2)F)Cl 1 3.553 2 1 -2.24907842007519 773886 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NN=CC2=CC=CC=N2 1 1.691 4 4 0 -7.4204737424772 773885 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NN=CC2=CC=CS2 1 2.366 3 4 0 -10.1329831420132 773836 COC1=CC(=CC(=C1OC)OC)C(=O)NN=CC2=CC=CC=N2 1 1.912 3 4 0 -7.17364474927873 773829 CC1=CC=CC=C1OCC(=O)NN=CC2=CC=CC=N2 1 2.282 3 2 -3.6195903409135 773825 CC(NC(=O)C1=CC=CC=C1Cl)NC(=O)C2=CC=CC=C2Cl 1 3.383 2 2 -6.27234076938983 773821 C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)O)N 1 2.263 2 2 -1.05166444027077 773820 C1=CC(=CC=C1OCC(=O)N(CCO)CCO)Br 1 0.748 1 4 0 -5.17680398405262 773815 CC1=NSC2=C1C=CC3=CC=CC=C32 1 3.233 1 0 2.76476422187489 773811 CC1(/C(=C/C#N)/N2C3=CC=CC=C3N=C2O1)C 1 2.521 3 1 -1.55309784428394 773801 CCC1=CC=C(C=C1)C2=CC=C(N2C=C)C(=O)O 1 3.887 1 2 -1.44553408347348 773799 COC1=CC=C(C=C1)C2=CC=C(N2C=C)C(=O)O 1 2.928 1 3 -1.61906215683853 773777 CC1=CC(=NN1C2=CC=CC3=C2N=CC=C3)C 1 2.67 3 0 -4.7551264872848 773774 CC(=O)C1=C(C2=CC=CC=C2NC1=O)C3=CC=CC=C3 1 2.421 1 2 -6.59410465556793 773768 C1=CC=C(C(=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F)O 1 4.197 2 2 -0.767257760746242 773765 COC(=O)NN=CC1=CC=CS1 1 1.615 2 2 0 -7.22408448899619 773761 C1COCCN1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4 1 2.526 3 2 -10.8637827803171 773758 C1CC2=CC=CC=C2N(C1)C(=O)/C=C/C3=CC=C(C=C3)F 1 4.024 1 1 -2.76211282517293 773742 C1=COC(=C1)CNC(=O)/C=C/C2=CC=C(C=C2)F 1 2.476 1 2 -6.78095492254099 773718 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(O2)Br 1 2.317 1 3 -7.0229608997921 773716 CC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=S)NCC(=O)O 1 3.51 2 3 -14.8389645436756 773714 C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)Br)F 1 2.783 1 2 -5.61653832890722 773710 CC(C)N1CCC(=NNC(=O)C2=CC=CS2)CC1 1 1.858 3 1 0 -9.08846140680378 773698 CC1=CC(=NC=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.048 3 3 -5.91751202624508 773692 COC1=C(C=C(C=C1)CCNC(=O)C2=C(N=CC=C2)Cl)OC 1 2.633 2 3 -8.94976745161719 773687 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 2.291 3 3 -8.48751065700131 773677 CC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCC4 1 4.918 2 1 -9.42878392782915 773667 C1=COC(=C1)CNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.362 2 4 -8.24612127833517 773666 C1CN(CC2=C1C(=C(S2)N)C#N)CCC3=CC=CC=C3 1 2.879 3 0 0.420766382974328 773665 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=CC=CO2 1 2.183 2 4 -11.3532523033316 773650 COC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2)C=C1 1 3.744 2 2 -3.78879409646031 773647 CC1=NC2=C(N1C3=CC=CC=C3)C4=CC=CC=C4OC2=O 1 3.6 2 2 -0.837947434315388 773637 C1=CC(=CC(=C1)F)C(=O)NC2=CN=CC=C2 1 1.669 2 1 0 -3.91424464479034 773625 CCC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)C)C=C1 1 3.121 2 2 -7.43742583102068 773608 COC1=CC=CC(=C1)NC(=S)NC2=CC=C(C=C2)F 1 4.555 2 1 -2.92293747267362 773605 C1=CC(=CC=C1NC(=S)NC2=NC=CS2)F 1 3.097 3 0 -5.20950101520836 773579 CC1=CN=C(C=C1)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 2.851 3 3 -7.92279644400778 773571 CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3N2)C 1 3.868 2 2 -7.04632902831907 773552 CC(C)(C)C(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-] 1 4.509 2 3 -10.0884076926924 773550 CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C 1 0.67 2 5 0 -20.9174710654043 773549 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CCC3=NC4=CC=CC=C4O3 1 3.815 1 3 -5.50756455835796 773542 C1CC(CCC1CNS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O 1 2.779 1 4 -11.2961128022589 773541 C1CSC2=C(C1=NNC(=S)N)C3=CC=CC=C3C=C2 1 3.164 3 0 -2.59826282058631 773538 CC1=CC=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3S2 1 3.951 1 2 -4.91936754812508 773500 C1=CC(=CN=C1)C(=O)NC2=C(C=C(C=C2)Br)F 1 2.417 2 1 -4.29531681019529 773529 CC1=CC(=NN1C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C 1 3.043 3 2 -4.2482193447833 773528 COC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)C=O 1 2.485 0 5 -8.063362229458 773508 C1CSC(=N1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.661 3 3 -9.99067768333415 773504 CCCC(=O)NCCC1=CC=C(C=C1)F 1 2.607 1 1 -12.9976073656533 773491 CC(=O)N(C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.636 1 3 -5.029128203215 773480 COC1=CC=C(C=C1)CSC2=NN=NN2C3=CC=CC=C3 1 3.367 4 1 -15.5153102438811 773470 C1=CC=C(C=C1)C2=NN=NN2C3=CC(=C(C=C3)Cl)Cl 1 3.97 4 0 -2.69254225987649 773466 CC(C)NC1=NC(=NC(=N1)NC(=S)N)NC(C)(C)C 1 1.616 7 0 0 -13.1818814728843 773463 CC1=CC(=C(C=C1)OCCN2C3=CC=CC=C3NC2=S)C(C)C 1 6.202 2 1 0.415336103127698 773462 CCN(C#N)C1=NC(=NC(=N1)N(C)C)N(C)C 1 0.416 7 0 0 -3.58847659311575 773461 CC1=CC=CC=C1OCCN2C3=CC=CC=C3NC2=S 1 5.008 2 1 -1.34527869168643 773441 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=NC=C2)Br 1 1.469 3 2 0 -6.17353092183293 773430 C1=CC=C2C(=C1)C3=NC4=C(C=CC(=C4)C(=O)O)N=C3C2=O 1 2.873 2 3 1.21681082857806 773429 C1=CC=C(C=C1)NC(=O)C2=NSN=C2C(=O)NC3=CC=CC=C3 1 2.619 4 2 -4.41444327473942 773427 C1=CC(=CC=C1NC(=O)C2=CC3=NSN=C3C=C2)Cl 1 3.407 3 1 0.551012516643536 773424 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC4=NSN=C4C=C3 1 2.51 3 3 -3.7779401873103 773412 C1=CC(=CC=C1C(=O)NNC(=O)C2=CC=NC=C2)Br 1 1.469 3 2 0 -4.03182063527289 773405 C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.714 2 4 -0.569234205710207 773391 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCCC2 1 3.2 2 1 -8.14239794225325 773380 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC=NC=C2 1 0.704 3 3 0 -8.61304899857084 773379 COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC=NC=C2)OC 1 0.688 3 4 0 -8.05638082349568 773368 COC(=O)/C(=C/C1=CNC2=CC=CC=C21)/C#N 1 2.285 2 2 -5.04773902227485 773367 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CC2=CC=CS2)OC 1 2.199 1 5 -14.9309788141284 773348 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CC3=CC=C(C=C3)F 1 2.691 2 3 -5.58180609609942 773342 CC(C)CC(=O)N1CCN(CC1)CC2=CC3=CC=CC=C3C=C2 1 3.403 2 1 -2.95672344280004 773338 CC1=CC=CC=C1CN2CCN(CC2)C(=O)CC(C)C 1 2.981 2 1 -6.51392752848939 773331 CC(C)CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.389 3 3 -8.00569261870571 773319 C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)Cl 1 4.76 2 0 -5.90079765480509 773317 C1CCC(CC1)NC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 5.699 2 0 -5.80023394959696 773315 CC(C)CC(=O)N1CCN(CC1)CC2=CC=CC=C2Cl 1 3.159 2 1 -5.52306235609912 773311 CC(C)CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)Br 1 3.243 2 1 -4.25678096911931 773303 COC1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2 1 4.079 2 1 -7.4776017881298 773296 CCN1CCN(CC1)C(=S)NC2=CC(=C(C=C2)Cl)Cl 1 4.683 3 0 -7.8492674103056 773295 C1CSC(=N1)NC(=O)NC2=CC=CC=C2 1 2.01 3 1 -10.2576332741645 773293 C1CCN(C1)C(=S)NC2=CC(=C(C=C2)Cl)Cl 1 4.837 2 0 -8.64517936755541 773263 C1CC(=O)N(C1=O)CNC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.413 2 3 -7.09728298386243 773259 C1COCCN1C(=S)NC2=CC(=C(C=C2)Cl)Cl 1 4.064 2 1 -10.5679443314991 773246 CC1=NON=C1NC(=O)N2CCCC2 1 0.239 4 2 0 -9.39652509691435 773211 CC(C)C(=O)NS(=O)(=O)C1=CC=C(C=C1)N 1 0.908 2 3 0 -8.56293669159741 773184 C1CN(N=C1NC(=O)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3 1 2.451 3 3 -7.53800004080277 773183 CC(C)CCN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)C)C 1 2.025 5 2 0 -13.6045840784358 773181 CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)O)O)C 1 3.42 0 4 -2.65841609968848 773179 CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CCCC3=CC=CC=C3 1 2.833 4 2 -8.19776791142977 773162 CCOC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)C3=NNC(=C3)C 1 2.942 4 2 -4.78336341251189 773158 CCNC(=S)N1CCC(CC1)C(=O)N 1 1.016 3 1 0 -12.1942570126109 773154 COC1=CC=C(C=C1)C2=CC(=O)N(N2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.125 3 4 0 1.3520775951241 773151 C1CN(CCN1CC(=O)NC2=CC=CC=C2)C(=O)C3=CC=CO3 1 1.232 3 3 0 -7.24832756553079 773149 CCNC(=S)N1CCN(CC1)C(=O)C2=CC=CO2 1 1.818 3 2 0 -12.8684383276679 773148 CCNC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 1 2.851 3 2 -8.52676042784027 773147 CCNC(=S)NCC1=CC2=C(C=C1)OCO2 1 2.358 2 2 -9.04534386728738 773139 CC1=CC(=NN1)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 1.673 5 3 0 -4.00101808783888 773130 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)O 1 1.041 1 3 0 -12.051926544463 773126 C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NCC3=CN=CC=C3 1 3.253 3 1 -9.18631954224535 773112 CC1=CC=C(O1)/C=C\2/C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 2.406 0 5 -2.79598556165152 773102 CC1=CC(=NN1)C(=O)NN=CC2=CC=C(O2)Br 1 1.664 4 2 0 -10.0003823468955 773096 CC1=CC(=NN1)C(=O)NN=CC2=CC=CO2 1 1.096 4 2 0 -8.06164287939989 773093 CCC1=CC2=C(C=C1)N=C(S2)N 1 2.651 2 0 4.38437436766319 773092 CC1=CC(=NN1)C(=O)NN=CC2=CC=NC=C2 1 0.55 5 1 0 -7.9030582861716 773089 CC1=CC(=NN1)C(=O)NN=CC2=CC=CC=N2 1 0.979 5 1 0 -6.27816976483325 773076 CC1=CC(=NN1)C(=O)NN=CC2=C3C=CC=CC3=CC4=CC=CC=C42 1 3.518 4 1 -4.9520983679249 773072 C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl 1 3.945 1 1 12.9938967706422 773039 CC1(CC(=O)C(=CNC2=CC3=C(C=C2)OCO3)C(=O)C1)C 1 1.791 1 4 0 -12.402713297365 773036 C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=CC=CO5 1 3.456 4 1 -8.9031384007216 773031 CC1(CC(=O)C(=CNC2=C(C=CC(=C2)OC)OC)C(=O)C1)C 1 1.99 1 4 0 -10.6347743743352 773030 CN1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)OCO3 1 0.93 3 3 0 -4.38674681108827 773028 CCOC1=CC=C(C=C1)NC=C2C(=O)CC(CC2=O)(C)C 1 2.356 1 3 -10.2426747838266 773023 CC1(CC(=O)C(=CNC2=CC(=CC=C2)OC)C(=O)C1)C 1 2.007 1 3 -9.50240454655964 773017 CC1=CC=C(O1)C=NNC(=O)C2=CC(=CN=C2)Br 1 1.821 3 2 0 -4.6884687559407 773001 C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)C2=CC(=CN=C2)Br 1 1.695 4 4 0 -4.03889945117905 772989 C1COCCN1C(=O)CCS(=O)(=O)C2=CC=CC=C2 1 0.557 1 4 0 -16.1959763283357 772987 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC(=CN=C3)Br 1 2.049 3 3 -6.20761717645543 772978 CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C 1 2.778 0 4 -4.03833675415914 772966 CN1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)Br 1 1.91 3 1 0 -1.06483830034102 772963 C1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)Br 1 2.87 2 1 -3.05921339070584 772962 CC1=CC=CC=C1OCC(=O)NN=CC2=CC=NC=C2 1 1.854 3 2 0 -5.07606586523944 772934 COC1=C(C=C(C=C1)C=NNC(=O)C2=CN=CC=C2)O 1 1.274 3 3 0 -4.19339577618996 772904 COC(=O)CN1C=NC2=C(C1=O)C3=C(S2)CCCC3 1 1.833 2 3 0 -18.8028925446702 772871 C1=CC=C2C(=C1)C=CC(=C2N)C(C(F)(F)F)(C(F)(F)F)O 1 3.286 1 1 1.56617519333328 772865 C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)Cl 1 3.297 2 2 -0.558976984420682 772861 C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)Cl 1 2.751 3 1 -3.44799019280245 772860 CC(C)C(=O)NC1=CC(=C(C=C1)N2CCCC2)Cl 1 3.367 2 1 -5.98541304124193 772857 CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)N 1 3.728 2 1 14.2285539239363 772856 CC(=O)NC1=CC=C(C=C1)NC(=O)CCC(=O)OC 1 0.141 2 4 0 -16.3986004817881 772854 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C(F)(F)F 1 2.823 2 2 -8.1407961275784 772849 CC1=CC(=C(C=C1)C)NCC2=CC(=C(C(=C2)OC)OC)OC 1 4.145 1 3 -3.2666183164513 772835 CC1=C(SC(=N1)N)C(=O)NN=CC2=CN=CC=C2 1 0.357 5 1 0 -3.03297986652597 772815 COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCOCC2)C(=O)OC 1 0.355 2 6 0 -12.2851582108612 772810 COC1=CC=CC=C1C=NNC(=O)C2=CC=C(C=C2)Br 1 3.415 2 2 -4.39213992309985 772793 C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CC4=CC=CC=C4F 1 3.062 4 2 0.800209615840223 772788 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)O 1 3.943 2 3 0.952661436002706 772781 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])O 1 2.319 3 5 0 -5.78033804665127 772774 CC1=NC(=CC=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 1.739 3 3 0 -9.06342495175339 772691 CC(=NNC(=O)C1=CC(=CC=C1)Cl)C2C(=O)C3=CC=CC=C3C2=O 1 2.789 2 3 -2.34930300229433 772674 C1=CC2=C(N(C(=S)N=C2C=C1)N)N 1 0.811 4 0 0 -5.19972724786414 772666 COC1=CC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)SC 1 3.208 2 2 -2.92735752460949 772663 COC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3N=N2 1 2.459 4 3 0 -25.966599007905 772656 COC1=CC(=C(C=C1)NC(=O)CCN2CCOCC2)OC 1 0.859 2 4 0 -10.3918368512844 772641 COC1=CC(=CC(=C1)NC(=O)CCN2CCOCC2)OC 1 0.859 2 4 0 -9.18511186970944 772637 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.909 2 3 -3.52252497574291 772632 CC1=CC=CC=C1NC(=O)CCN2CCC3=CC=CC=C3C2 1 3.349 2 1 -9.28382147717067 772617 CC1=CC(=NC2=CC=CC=C12)N3CCN(CC3)C4=CC=CC=C4 1 4.213 3 0 6.7805300153861 772613 CC1=CC=CC=C1NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3 1 3.231 3 1 -3.74209890733103 772612 CC(=NNC(=O)C1=CC=CC=C1O)C2=CC=CS2 1 2.375 2 2 -5.59351180891913 772595 CC(=NNC(=O)C1=CC=CC=C1O)CN2C=NC(=N2)[N+](=O)[O-] 1 0.645 6 4 0 -6.95403350523537 772593 CC(=NNC(=O)C1=NN(C=C1Br)C)C2=CC=NC=C2 1 1.34 5 1 0 -9.13962060835873 772589 CCN1CCN(CC1)CCC(=O)NC2=CC=CC=C2C 1 1.997 3 1 0 -6.2562732390762 772587 CC1=CC=CC=C1NC(=O)CCN2CCN(CC2)CCO 1 1.108 3 2 0 -4.48230794648551 772584 C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)C3=CC=CC=C3Cl 1 4.256 2 1 -2.1815355653377 772582 CC1=CC=CC=C1NC(=O)CCN2CCN(CC2)C 1 1.648 3 1 0 -3.99487002181868 772573 CC1=CC=CC=C1NC(=O)CCN2CCCCCC2 1 3.064 2 1 -5.98924511218351 772564 CCOC(=O)C1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)C 1 2.367 2 3 -6.51797325082139 772534 COC1=CC(=C(C=C1)OC)NC(=O)CCN2CCN(CC2)CCO 1 0.589 3 4 0 -4.57892559600735 772528 COC1=CC(=C(C=C1)OC)NC(=O)CCN2CCCCC2 1 2.089 2 3 -6.08586276170534 772522 C1CN(CCN1CCC(=O)NC2=CC=CC=C2)C/C=C/C3=CC=CC=C3 1 3.213 3 1 1.78230454420496 772520 COC(=O)C1=C(N(N=N1)C2=CC=CC=C2)N 1 1.25 4 2 0 -9.67103239732872 772515 CC1=NC(=C(S1)CC(=O)O)C2=CC=C(C=C2)OC 1 2.432 1 3 -0.803272941505726 772512 C1CN(CC2=CC=CC=C21)CCC(=O)NC3=CC=CC=C3 1 2.862 2 1 -6.87578283955172 772501 CCC1=NC2=C(C=C(C=C2)C(=O)O)N=C1CC 1 2.822 2 2 -4.56812666348353 772496 CC1=C(C=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N)C 1 4.014 2 2 -18.6429060389714 772473 COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCCCC3 1 2.576 1 4 -13.4365826212358 772454 C1=C(OC(=C1)Br)/C=C(/C#N)\C(=S)N 1 1.969 2 1 0 -9.83386118545861 772420 C1=CC(=CN=C1)C(=O)NNC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 1.957 4 2 0 -5.65962304794113 772418 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 4.027 2 3 -3.0351569493813 772411 C1=CC(=CN=C1)C=NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.861 3 1 -0.530672437213065 772408 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.78 2 3 -2.36319223660131 772407 CCOC1=CC=CC=C1NC2=NC3=C(C=CC=C3C)C(=C2)C 1 4.773 2 1 4.60299962188688 772378 CC1=NC2=CC=CC=C2C(=C1)NC3=CC(=CC=C3)Cl 1 4.513 2 0 8.03758389538043 772311 C1=CC=C(C(=C1)OCC(=O)NN2C=NN=C2)Cl 1 0.732 4 2 0 -6.72105706121656 772316 CC(C)C(=O)NNC(=O)C1=CC=CC=N1 1 0.614 3 2 0 -9.73468082434793 772318 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=C(C=C2)F 1 2.266 2 3 -7.68053497772717 772360 CC1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)Cl 1 2.83 2 1 -5.26360407430858 772356 C1=CC=C(C=C1)CCC(=O)NC2=C(C=C(C=C2)F)F 1 3.516 1 1 -6.94051149255812 772352 C1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)N 1 2.107 2 2 -10.7755751669156 772340 CC1=C(C=CC=C1Cl)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 3.694 2 3 -5.43924632043352 772328 C1=CSC(=C1)CC(=O)NNC(=O)C2=CC=C(C=C2)F 1 2.065 2 2 -9.72047734253758 772287 CC1=C(C=CO1)C(=O)NNC(=O)C2=CC=C(C=C2)F 1 1.326 2 3 0 -4.28742119397346 772285 CC1=C(C=CO1)C(=O)NNC(=O)C2=CC(=CC=C2)F 1 1.326 2 3 0 -4.17476510614936 772276 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=CC=C3Cl 1 2.926 3 1 -3.4645255808492 772256 C1CN(CCN1C=O)C(=O)C2=CC=CC=C2F 1 0.587 2 2 0 -5.36580709282922 772234 CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.748 3 1 -1.27033799301072 772224 CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)N 1 2.727 3 3 -10.3995060244331 772215 CN(C)N=CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.89 3 4 0 -9.86132681702496 772213 C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC=C2F)F 1 3.353 1 1 -8.07738036268722 772178 C1=CC(=CN=C1)C=NNC(=O)C2=NC(=C(C(=C2Cl)N)Cl)Cl 1 2.266 5 1 -3.12328608809271 772168 C1=CC(=CC(=C1)Br)C(=O)NN=CC2=CN=CC=C2 1 2.281 3 1 -4.36061564987551 772165 C1COCCN1CC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3 1 2.084 4 2 -2.28265496000414 772162 CC1=C(SC=C1)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.017 3 3 -6.38986176930691 772158 CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2 1 3.791 2 0 0.917669384749524 772156 C1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Cl)Br 1 3.277 1 2 -6.1551709826365 772148 CC1=CC(=NN1C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C 1 2.737 3 3 -9.31104726905103 772133 CC1=C(SC=C1)C=NN2C=NN=C2 1 1.484 4 0 0 0.467943422691737 772127 CC1=C(SC=C1)C=NNC(=O)C2=CC=NC=C2 1 1.972 3 1 0 -5.11018181859939 772124 C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)C3=CC=NC=C3 1 3.093 3 2 -2.96400717553259 772123 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CCCCC3 1 3.105 1 3 -12.3902623516007 772121 C1=C(SC(=C1)Br)C=NN2C=NN=C2 1 1.566 4 0 0 2.17897916308991 772115 C1=CN=CC=C1C(=O)NN=CC2=CC=C(S2)Br 1 2.054 3 1 -3.4710211667897 772097 C1=CN=CC=C1C(=O)NN=CC2=CC(=CS2)Br 1 2.234 3 1 -1.59057291365638 772084 C1=CC=C(C=C1)N(C2=CC=CC=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 3.833 3 4 0 -5.44688220919438 772079 CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3Cl 1 4.65 2 0 7.39504997734133 772065 C1=CC=C(C=C1)CS(=O)(=O)NC2=CC(=CC=C2)Br 1 3.073 1 2 -1.84197041895228 772060 CCOC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2 1 1.63 1 4 0 -18.391328327486 772058 CN1C2=C(N=C1NN=C3CCCCC3)N(C(=O)N(C2=O)C)C 1 1.148 6 2 0 -13.3381079548951 772049 C1=CC=C(C=C1)CSC2=NN(C=N2)C3=CC=CC=C3 1 4.018 3 0 -2.25891017041803 772045 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=CC=C3F 1 3.557 1 1 -7.52934702201707 772018 C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(=O)C3=C(C=C(C=C3)O)O 1 2.802 2 4 -4.10974439249371 772016 CC1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.312 3 3 0 -7.36013593774055 772007 CCC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)C 1 3.166 2 2 -13.5147224582718 772004 CC1=CC(=NC(=N1)SCC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C 1 2.813 3 4 0 -11.2489970990465 771994 COC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=CO2 1 1.053 2 4 0 -10.9119868121748 771992 CCOC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.505 1 5 -10.5329681418814 771988 COC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.552 3 5 0 -13.1896221744614 771985 COC1=CC=C(C=C1)S(=O)(=O)NC2=CN=CC=C2 1 1.15 2 3 0 -3.35963976264596 771981 CC(C)(C)C1=CC=C(C=C1)C=NN2C=NN=C2 1 2.445 4 0 3.36702400698229 771978 C1=CN=C(N=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 0.771 4 4 0 -5.24749726921744 771974 C1=CSC(=C1)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 2.668 2 3 -6.77187825840009 771973 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CN=CC=C2 1 1.844 3 3 0 -9.65763361285506 771971 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CN=CC=C2 1 1.342 3 4 0 -10.4635252036808 771966 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CN=CC=C2 1 1.668 2 3 0 -13.5977498449121 771965 COC1=CC=CC(=C1OC)CN2CCNCC2 1 1.292 2 2 0 -3.62913784933537 771964 C1=CC(=CN=C1)C(=O)NC2=CC(=C(C=C2)F)Cl 1 2.333 2 1 -4.12933730915378 771963 CC1=C(C=CC(=C1)NC(=O)C2=CN=CC=C2)Br 1 2.698 2 1 -5.87968225595937 771943 C1=CC=C(C=C1)C2=CC(=NC3=CC(=NN23)C(=O)O)C4=CC=CC=C4 1 4.055 3 2 -5.40730583564642 771934 CCOC(=O)C1=NN2C(=CC(=NC2=N1)C3=CC=CS3)C(F)(F)F 1 3.817 4 2 -11.632145043492 771929 CC1=CC(=NC2=CC(=NN12)C(=O)OC)C3=CC=CC=C3 1 2.616 3 2 -9.69365778490451 771904 C1=CC(=CC=C1NC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl)F 1 3.208 2 2 -6.3941156233032 771903 C1=CC=C(C(=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)F)Cl 1 2.544 2 2 -10.7396532921001 771902 CC1=NC(=CC=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.18 3 3 -7.30071085466993 771884 CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3 1 4.555 2 4 -4.87411375900516 771883 C1=CC=C(C(=C1)CN2C=NC3=CC=CC=C32)Br 1 3.883 2 0 -1.62902219175952 771866 CC1=NC2=CC=CC=C2N1CCOC3=CC=C(C=C3)[N+](=O)[O-] 1 3.338 3 3 -4.09671272535867 771863 C1=CC=C(C=C1)CSC2=NN=CN2N=CC3=CC=CO3 1 3.107 4 1 -7.49759659620973 771840 CSC1=NN=CN1N=CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.022 5 2 0 -5.40324411566639 771820 CN1C=CN=C1CC(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 2.812 2 1 0.498517553526694 771807 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=N3)C)C 1 2.786 3 2 0.307933410921327 771787 CC1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)C)C 1 3.346 2 1 -7.81078328368012 771785 C1CCN(CC1)C2=NC3=C(N2)C=C(C=C3)Cl 1 3.011 3 0 2.58107754263342 771776 C1CN(C2=NC3=CC=CC=C3N21)C(=O)C4=CC=CC=C4 1 2.902 3 1 -3.99428607503103 771743 C=CCN1C2=CC=CC=C2N=C1N=CC3=CC4=C(C=C3)OCO4 1 3.428 3 2 -1.7158101237239 771730 C1COCCN1CCN2C3=CC=CC=C3N=C2CC4=CC=CC=C4 1 3.337 3 1 -2.03275204214083 771699 C1=CC(=CC=C1P(=O)(CC(=O)O)O)Cl 1 1.332 0 4 0 -3.17709299166903 771697 C1CC2=C(C1)C=C(C=C2)NC(=O)CCN3CCOCC3 1 1.949 2 2 0 -9.4373220774135 771678 C1CN(CCC1C(=O)N)CCC(=O)NC2=CC(=C(C=C2)F)F 1 1.089 3 2 0 -2.39861129083625 771667 C1CN(CC2=CC=CC=C21)CCC(=O)NC3=CC4=C(C=C3)OCO4 1 2.631 2 3 -9.50728526942785 771662 C1CSC(=N1)NC(=O)C2=CC=CC=C2Br 1 2.851 2 1 -10.6793268449117 771649 COC1=CC(=C(C=C1)Cl)NCCC(=O)O 1 2.016 1 3 -5.12014632550875 771647 CCOC1=CC=C(C=C1)NC(=S)N(C)C 1 3.38 2 1 -6.08042521820745 771622 CC1=CC(=NC2=C1C=C(C=C2)OC)N3CCOCC3 1 2.255 2 2 1.79098740334193 771613 C1=CC(=C(C=C1Cl)Cl)OC2=CC(=C(C=C2C(=O)O)N)C(=O)O 1 3.232 1 5 -1.13909557051255 771607 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.047 2 5 0 -14.2760658456912 771604 CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)C3=CC=CS3 1 3.283 2 2 -3.85673952486549 771596 C1CNCCOCCNCCN1 1 -1.323 3 1 0 -6.41997380495265 771595 CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)C3=CC=CC=N3 1 2.608 3 2 -0.288466908808921 771585 CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)C3=CC4=C(C=C3)OCO4 1 3.098 2 4 -2.90990692693959 771546 CCOC(=O)C1CCN(CC1)CCC(=O)NC2=CC(=CC(=C2)C)C 1 2.853 2 3 -6.98217116666955 771530 CC(C)(C)NC(=O)C1=CC=NC=C1 1 0.818 2 1 0 -10.9208163191001 771524 C1CN(C2=CC=CC=C21)C(=O)N 1 1.021 2 1 0 -7.12417080467 771515 CCN1C2=C3C(=C(C=C2)N)C=CC=C3C1=O 1 1.501 2 1 0 -1.78068262064379 771505 CC1=CC(=CC(=C1)NC(=O)CCN2CCOCC2)C 1 1.864 2 2 0 -6.28735646295146 771491 C1COCCN1/C=C/C(=O)C2=CC3=CC=CC=C3O2 1 2.007 1 3 2.54546704150286 771481 CC1=CC(=C(C=C1)OC)NC(=O)CCN2CCCC2 1 2.135 2 2 -5.46632050221015 771473 CCN1C(=O)N(C(=CC1(C)C)C)C2=CC=CC3=CC=CC=C32 1 3.465 2 1 -2.4841379026638 771469 C1CN(CC2=CC=CC=C21)CCC(=O)NC3=CC(=CC=C3)F 1 3.068 2 1 -4.85710426506031 771439 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=C(C)/C=C/C3=CC=CC=C3 1 3.59 3 1 -4.91672579002644 771436 C1CN(CCN1CCC(=O)NC2=CC=CC=C2F)C3=CC=CC=C3 1 3.039 3 1 -1.60180343144387 771381 C1CN(CC2=CC=CC=C21)CCC(=O)NC3=CC=C(C=C3)F 1 3.068 2 1 -5.83883867870072 771366 C1=CC=C(C(=C1)C(=O)NN=CC2=CN=CC=C2)Br 1 2.281 3 1 -4.05531852266976 771351 CC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC=NC=C2 1 0.653 4 2 0 -8.73650912543399 771344 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CN=CC=C3 1 2.001 4 1 -5.11095277701805 771295 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CC=C(S3)[N+](=O)[O-] 1 3.124 4 3 0 -1.31218495236036 771288 CC1=CC=C(O1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C 1 2.693 3 2 -5.51522652370058 771286 CC(=O)NC1=CC=CC(=C1)C(=O)NN=CC2=CN=CC=C2 1 0.653 4 2 0 -8.66068350389499 771273 CC(=O)NC1=CC=CC(=C1)C(=O)NN=CC2=CC=C(C=C2)F 1 2.009 3 2 -7.86582876996663 771270 CC(=O)NC1=CC=CC(=C1)C(=O)NN=CC2=C(C=C(C=C2)OC)OC 1 1.77 3 4 0 -8.21805554316918 771242 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.046 4 3 0 -7.60629885657136 771235 C1=CC(=CN=C1)C=NNC(=O)C2=CC=C(C=C2)F 1 1.738 3 1 0 -3.99321471240824 771212 CC1=CC=CC=C1C=NNC(=O)C2=CN=CC=C2 1 2.018 3 1 -5.61509763162229 771169 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NCCS2 1 3.099 2 4 -17.929375914173 771150 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC=CC=N2 1 2.354 3 4 0 -12.8726699659199 771148 C1=CC=NC(=C1)CNC(=O)NC2=CC(=CC=C2)Cl 1 2.258 3 1 -4.04632598390415 771147 COC(=O)C1=C(C=CS1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.66 2 3 -6.37565938794799 771056 C1CN(CC2=CC=CC=C21)C(=O)/C=C/C3=CC=C(C=C3)F 1 3.575 1 1 -6.50001653342089 771052 CCOC1=CC=CC=C1C(=O)NC2=C(SC=C2)C(=O)OC 1 2.755 1 4 -10.7228171843451 771027 CC1=CN=C(S1)NC(=O)NC2=CC=C(C=C2)Cl 1 2.33 3 1 -0.98353586870459 771015 COC1=CC=C(C=C1)NC(=O)NC2=NC=CS2 1 1.503 3 2 0 -4.59988769333969 770997 CC1=CN=C(S1)NC(=O)C2=CC=CO2 1 1.152 2 2 0 -3.7605712312619 770996 C1=COC(=C1)C=NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.007 3 4 0 -7.05465020718341 770990 CC1(CC2=C(CO1)C=C3C(=C(SC3=N2)C(=O)N)N)C 1 0.89 3 2 0 -15.5553378592951 770975 C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)C2=CC=C(C=C2)Br 1 3.326 3 3 -6.69526096771978 770964 C1CC(=O)N(C1=O)C2=CC=CC=C2OC(=O)CC3=CC=CC=C3 1 2.457 1 4 -12.9231431752046 770963 COC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)N3C(=O)CCC3=O 1 2.405 1 5 -12.2300373358931 770959 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCCCCC2 1 2.072 2 3 -10.2064191482779 770953 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCCC2 1 1.159 2 3 0 -9.85195063410985 770951 CC(=NOC(=O)C1=CC=C(C=C1)Br)C2=CC=CC=N2 1 3.151 2 2 -0.246987834632687 770945 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC=NC=C2 1 0.925 3 3 0 -13.6583265345426 770942 C1=CC=C(C(=C1)C=NNC(=O)C2=CC=CS2)[N+](=O)[O-] 1 2.531 3 3 -6.88181078365916 770938 CC(=NNC(=O)C1=C(C=CC(=C1)Br)O)C2=CC=CS2 1 3.123 2 2 -2.55823337857079 770933 C1=CC(=CN=C1)C=NNC(=O)C2=CC(=C(C(=C2)O)O)O 1 0.806 3 4 0 -0.293925458686635 770928 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2CCCC2 1 1.895 2 3 0 -11.8904726070559 770895 CC1=CC(=C(C=C1)C)OCC(=O)NN=CC2=CC=CN2C 1 3.082 3 2 -7.50849864529213 770887 CC1=C(C(=CC=C1)OCC(=O)NN=CC2=CC=CN2C)C 1 3.082 3 2 -6.47858383975733 770818 COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.949 1 4 -1.55917178564042 770793 CC1=CC2=C(C=C1C)N(C=N2)CC(=O)NC3=CC=CC=C3C(=O)OC 1 3.015 3 3 -14.3767772332743 770774 CC1=CC=C(C=C1)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 4.071 0 4 -8.12657857881705 770699 C1=CC=C(C(=C1)C(=O)NN=CC2=CN=CC=C2)[N+](=O)[O-] 1 1.427 4 3 0 -8.58422925389226 770678 CCCS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2OCC 1 2.116 2 3 -19.0734085921561 770677 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=NC=C2)[N+](=O)[O-] 1 1.427 4 3 0 -8.6875016275673 770533 CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32 1 1.508 2 3 0 -19.1861507765813 770531 CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=CS2 1 0.553 2 3 0 -25.3324411396701 770525 CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)OC 1 0.584 2 4 0 -20.6130730920318 770518 CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2 1 0.6 2 3 0 -20.775844236611 770377 COC1=CC(=CC(=C1)C(=O)NC2=CC=CC3=CC=CC=C32)OC 1 3.49 1 3 -7.71363780385348 770375 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 4.024 2 1 1.25498020221513 770368 C1=CC=C2C(=C1)N=NN2CC(=O)NN=CC3=CC=CO3 1 1.741 5 2 0 -14.1275869199305 770357 CN(C)C1=CC=C(C=C1)C=NNC(=O)CN2C3=CC=CC=C3N=N2 1 2.508 6 1 0 -16.346644396652 770348 COC1=C(C=C(C=C1)C=NNC(=O)CN2C3=CC=CC=C3N=N2)OC 1 2.313 5 3 0 -17.9775077767628 770347 CC1=C(C(=NO1)C)C(=O)NC2=CC3=CC=CC=C3C=C2 1 2.405 2 2 -7.40874649805132 770336 CC1=CC=C(C=C1)NC(=O)C2=C(ON=C2C)C 1 1.983 2 2 0 -9.66798680036552 770294 C1=CC=C(C=C1)NCC(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.238 4 3 0 -10.6987088080242 770249 CCC(CC)(C#CCN1CCCCC1)O 1 2.918 1 1 -0.57154644887396 770244 C1CCC2(CC1)C(=CC(=O)O2)N3CCCCC3 1 2.791 1 2 -1.58232859639699 770217 COC(=O)OC1=CN=CC(=C1)C(=O)O 1 0.72 1 5 0 -4.54561630224705 770213 C1=CC=C(C=C1)COC(=O)OC2=CN=CC(=C2)C(=O)O 1 2.303 1 5 -4.6358637163504 770201 C1CCC(CC1)C2=NC3=C(O2)C=CC(=C3)N 1 2.996 2 1 8.67928877621097 770195 COC1=C(C=CC(=C1)CNCC2=CC=CO2)OCC3=CC=CC=C3 1 3.683 1 3 -4.82555700714439 770188 CC(=NNC(=O)C1=CN=CC=C1)CN2C=NC(=N2)[N+](=O)[O-] 1 -0.264 7 3 0 -12.8169406195482 770167 CC1=CC=C(C=C1)N(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CO3 1 4.179 2 4 -5.5019454320745 770157 C1=CC=C(C=C1)C(=O)NCN2C=CC(=O)NC2=S 1 1.456 3 2 0 -13.8984882179039 770154 C1=CC=C(C=C1)CNCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 3.564 2 2 -3.03670103438118 770142 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=NON=C32 1 1.007 4 4 0 -6.38379959938405 770126 CCOC(=O)C1=C(OC(=N1)C2=CC=CC=C2)N3CCOCC3 1 2.259 2 4 -3.94837111475415 770124 CCC1=C2CCCCC2=C3C(=C(SC3=N1)C#N)N 1 3.626 3 0 -4.00672904585946 770089 CC(=NNC(=O)C1=CC=CC=C1Cl)C2=CC=CC=N2 1 2.606 3 1 -6.07610386511695 770085 CC(C)(C)C1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=N2 1 3.361 3 1 -0.702735667623658 770080 CC(C)C(C(C)C)(C(=O)NNC1=CC=CC=C1)O 1 2.782 2 2 -4.71434925017527 770077 C1CCC2(CC1)CC3=CC=CC=C3C(=O)N2 1 2.827 1 1 -3.11634101814796 770056 C1CCCN(CC1)C(=S)NC2=CC=CC=C2 1 4.421 2 0 -10.7763907133103 770040 CCN(CC)C(=O)CN1C(=O)COCC1=O 1 -1.251 2 4 0 -12.9644523295699 770027 CC1=CC(=C(S1)SC)C=O 1 2.063 0 1 1.46742148143034 770018 C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=C(C#N)C#N)C#N 1 3.405 4 0 -3.2016526883148 770006 CC(C)(C)C1=CC=C(S1)/C=C/C(=O)O 1 3.572 0 2 1.83494307814724 769987 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C)C 1 2.648 3 2 -12.2954348601211 769986 CC(C)(C)S(=O)(=O)C1=C(SC=C1)C(=O)O 1 1.87 0 4 0 -8.28545806014548 769981 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CC=C3 1 4.683 1 2 -5.86856982298814 769972 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=C(OC=C2)C 1 2.792 3 2 -8.5674981883334 769966 CC1=CC(=NN1S(=O)(=O)C2=CC(=C(C=C2)OC)OC)C 1 2.026 2 4 -14.2090434509099 769963 CC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)NCC3=CC=CC=N3 1 2.783 2 2 -3.32490085424383 769951 CC1=CC=C(C=C1)OCC2=NNC(=S)N2C3CCCCC3 1 4.281 3 1 -6.93381455005289 769945 CC1=CC=C(C=C1)OCC2=NNC(=S)N2CC3=CC=CC=C3 1 4.007 3 1 -3.37374344089296 769943 CC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=C(C=C3)OC 1 3.983 3 2 -4.99089094281965 769940 CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)C 1 4.486 3 1 -5.2589671046935 769937 CC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=C(C=C3)Cl 1 4.664 3 1 -2.61064947188913 769933 CC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=CC=C3 1 4 3 1 -4.69395135761818 769929 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.671 1 1 -8.45445048822866 769909 CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3C=NC4=CC=CC=C43 1 2.202 4 3 0 -4.83309347468946 769905 CC1=NC=CN1C2=C(C(=O)N(C3=CC=CC=C32)C)[N+](=O)[O-] 1 0.835 4 3 0 -4.96799603008096 769903 CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3C=CN=C3 1 0.574 4 3 0 -5.60097493729923 769810 CC1=NC(=C2C3=C(CCCC3)SC2=N1)NCC4=CC=CC=N4 1 3.446 4 0 -7.90157003120574 769760 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC3 1 1.1 2 4 0 -17.3456448068566 769763 CCOC(=O)C1CCN(CC1)C(=O)CSC2=CC=C(C=C2)Cl 1 2.978 1 3 -7.40229629642778 769764 CSC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)O 1 2.983 2 2 -0.634517204326203 769767 CSC1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC(=C2)O)O 1 2.741 2 3 -0.195356440687701 769783 CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)N2CCCC2 1 2.371 2 2 -16.9102691627618 769772 C1=CC=C(C=C1)NC(=O)NN=CC2=CC=C(S2)Br 1 3.113 3 1 -1.36206876396571 769769 C1CN(CCC1C(=O)N)C(=O)CCSC2=CC=CC=C2 1 1.359 2 2 0 -7.49732348122056 769736 C1CCN(C1)CCSC2=CS(=O)(=O)C3=CC=CC=C32 1 1.89 1 2 0 -4.10742913066519 769669 C1=CSC(=C1)CNC2=CC=C(C=C2)O 1 2.72 1 1 -1.25929672073535 769565 CCOC(=O)C1=C2N=NC(=C(N2N=C1)N)C#N 1 -6.1e-002 6 2 0 -15.7192573981078 769515 CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C(=O)C4=CC=CO4)C 1 2.721 4 2 -3.71146942184615 769461 CCC1=CC2=C(N=CN=C2S1)N[C@@H](CC3=CC=CC=C3)C(=O)O 1 3.793 3 2 -6.23666977290248 769448 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC3=CC=CC=C3 1 4.038 2 2 -14.9777030516283 769441 CC(C)(CO)NC1=NC(=NC(=N1)N2CCCC2)N3CCCC3 1 0.894 6 1 0 -3.1281908485011 769416 C1=CC=NC(=C1)NC(=O)NC2=CC=C(C=C2)Cl 1 2.575 3 1 -0.25668198365819 769413 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=NN=C(S2)CC(C)C)C 1 3.885 3 2 -4.09255944644829 769411 CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)OC 1 3.518 3 2 -11.1546151122508 769409 CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=N2 1 3.959 3 2 -8.88751283844647 769398 CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.886 1 3 -11.0815075908766 769387 COC1=CC=CC(=C1)NC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 3.33 3 2 -3.28684444803793 769376 CC1=NC(=CC=C1)NC(=O)NC2=CC(=CC=C2)OC 1 2.177 3 2 -2.37990617059459 769361 CC1=C(SC2=NC(=NC(=C12)N)SC(C)C)C 1 3.325 3 0 -1.36173257582763 769360 CCOC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 3.679 3 2 -4.13918882986465 769358 CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C 1 5.057 2 2 -8.6036152529393 769357 C1CCN(C1)C(=O)COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3 1 2.587 1 4 -14.9809462941543 769350 CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=N2)C)C 1 3.166 3 1 -2.33608963093262 769338 CC1=NC(=CC=C1)NC(=O)NC2=C(C=C(C=C2)OC)OC 1 2.161 3 3 -7.59579535106881 769331 CCOC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=N2)C 1 2.526 3 2 -3.07906758281086 769329 CCOC1=CC=C(C=C1)NC(=O)NC2=NOC(=C2)C 1 1.994 3 3 0 -12.6746158602363 769265 C1CN(CCC1C(=O)N)C(=O)NC2=CC=CC=C2 1 0.626 3 2 0 -5.45065658861947 769234 CC(C)(C)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C)C(C)(C)C 1 4.002 2 1 -1.02610529578454 769232 C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=NC=C3 1 3.099 3 2 -6.37139386177565 769203 CC(C)CC(=O)NC1=NN=C(S1)COC 1 0.796 3 2 0 -14.6032838807056 769201 CC(C)C1=NN=C(S1)NC(=O)CC2=CC=CS2 1 2.467 3 1 -13.5910175619948 769200 CC(C)(C)CC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 3.421 3 1 -14.5623313816136 769190 CCOC(=O)CC1=CC(=NC2=C1C3=CC=CC=C3C=C2)C4=CC=CC=C4 1 5.11 1 2 -2.68976327372444 769187 C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)N 1 2.04 3 1 -2.84384278746357 769183 CC(=O)NC1=NN=C(S1)COC 1 -0.579 3 2 0 -9.87255138629825 769180 C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3 1 2.914 1 5 -5.89772027200718 769176 C1COC2=C(O1)C=C(C(=C2)N)C(=O)C3=CC=CC=C3 1 2.273 1 3 -3.57785095134627 769170 CCC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=CC=C3)OCCO2 1 2.807 1 4 -12.009503265514 769167 CC(C)(C)CC1=NN=C(S1)NS(=O)(=O)CC2=CC=CC=C2 1 2.64 3 2 -11.4840121181846 769159 CCC(=O)NNC1=CC=C(C=C1)Br 1 2.388 2 1 -2.27067715355739 769157 C1CCC2=C(C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.91 2 2 -4.03046731199461 769155 CC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)CC(C)(C)C 1 3.119 3 2 -9.0118867686528 769153 CC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)COC 1 1.275 3 3 0 -8.55849984619035 769152 CC(C)(C)N1C=NC2=C1C=CC(=C2)NCC3=CC=CS3 1 3.614 3 0 -3.54413628983322 769151 CC1=NN(C(C1)(C)C)C(=S)NC2=CC=CC=C2 1 3.115 3 0 -6.98351684664355 769148 CC(C)(C)CC1=NN=C(S1)NS(=O)(=O)C2=CC=CC=C2 1 2.633 3 2 -9.90789640788895 769147 CC(C)(C)N1C=NC2=C1C=CC(=C2)NCC3=CC=CC=C3O 1 3.632 3 1 3.37992651856141 769145 CC(C)(C)N1C=NC2=C1C=CC(=C2)NCC3=CC=C(C=C3)N(C)C 1 4.037 4 0 -3.40080675844807 769135 C1=CC=C(C(=C1)C(=O)N)NS(=O)(=O)C2=CC=CS2 1 1.106 2 3 0 -7.19926644317553 769125 COC1=CC2=C(C=C1)C3=C(C2)SC(=N3)NC(=O)C4=CN=CC=C4 1 2.406 3 2 -2.15546145493611 769090 COC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=CS2 1 2.415 1 3 -6.48009495202659 769085 COC1=CC=CC=C1CNS(=O)(=O)C2=CC=CS2 1 2.094 1 3 -7.87721469693648 769083 CC1=C(C=CO1)C(=O)NN=CC2=CC3=C(C=C2)OCO3 1 1.7 2 4 0 -5.29109132556708 769077 C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CS3 1 3.027 2 2 -5.02242901353098 769076 CC1=C(C=CO1)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 1.827 3 4 0 -5.0165409137885 769073 CC1=C(C=CO1)C(=O)NN=CC2=CC=C(C=C2)N(C)C 1 2.094 3 2 -6.2741123270748 769060 C1CCC(C1)(C2=CC=CC=C2)C(=O)NCC3=CC=CO3 1 3.258 1 2 -10.6892216691354 769005 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)F)OC 1 2.497 1 4 -6.54058747086731 769015 CC1(CC(=CC(=O)C1)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C 1 1.562 2 5 0 -19.5614204276339 769016 CC1=CC=CC=C1OCC(=O)NN=CC2=CC=C(C=C2)N(C)C 1 3.167 3 2 -7.55110216171395 769050 CC1=CC=CC=C1NC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl 1 4.069 3 1 -7.8844092994984 769047 C1=CC=C(C(=C1)C(=O)NN2C=NN=C2)Cl 1 0.897 4 1 0 -6.41152544584943 769046 CC(C)CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C 1 0.811 2 5 0 -12.0776683275333 769001 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.839 1 4 -14.0497408214546 768995 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2)OC 1 1.356 2 4 0 -10.1766715036517 768993 CCOC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.617 1 5 -11.1256564507068 768991 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3)OC 1 2.052 1 6 0 -9.66487389561863 768987 CC(C)CCNS(=O)(=O)C1=CC(=C(C=C1)OC)OC 1 2.288 1 4 -13.7028279617918 768985 C1=CC=C(C=C1)N(CCC(=O)O)C(=O)N 1 0.676 2 3 0 -6.86711664172855 768977 CCN(CC)C(=O)CCCC1=CNC2=CC=CC=C21 1 3.182 2 1 -13.8747338901827 768972 CC(C)NC(=O)CCCC1=CNC2=CC=CC=C21 1 3.005 2 1 -18.1882615695971 768967 CC1=CC=C(C=C1)S(=O)(=O)N=CC2=CC=C(C=C2)N(C)C 1 3.003 2 2 -5.98707691928478 768965 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)F)Cl)OC 1 3.154 1 4 -4.80984143890645 768960 CC(=O)NC1=CC=C(C=C1)NC(=O)CCCC2=CNC3=CC=CC=C32 1 2.975 3 2 -12.0968189708771 768929 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 2.839 1 4 -7.96102748383259 768903 CNS(=O)(=O)C1=C(C=CC(=C1)OC)OC 1 0.708 1 4 0 -7.57715917789284 768895 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCCC2=CCCCC2 1 3.035 1 4 -8.94640259170942 768892 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2CCCCC2 1 2.566 1 4 -9.08221974499983 768882 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 2.024 1 5 -7.35709548312891 768881 CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 2.024 1 5 -6.37342842964285 768876 CCC(=O)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2 1 3.675 2 2 0.322694111869142 768872 C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F 1 4.156 2 1 -3.38322947465398 768866 CCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 3.227 1 4 -2.97462484650505 768864 CC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 2.771 1 4 -4.37437959890906 768862 C1=CC(=CN=C1)C=NNC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 2.696 3 2 -3.54391043863677 768857 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC=C2F 1 2.49 1 4 -4.31712085079826 768854 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC(=CC=C2)F 1 2.49 1 4 -1.10423259928502 768853 COC1=C(C=C(C=C1)Br)C=NNC(=O)C2=CN=CC=C2 1 2.264 3 2 -4.27528987013059 768851 C1C2(COC(O1)C3=CN=CC=C3)C(=O)N=C(S2)N 1 0.387 3 3 0 -7.90273995362789 768838 CC1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)CC(C)C 1 3.842 2 2 1.25660587545012 768835 CC1=CC(=O)N=C(N1)SCCC2=CC=CC=C2 1 2.872 2 1 -11.873464360959 768834 CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)C 1 3.708 1 3 -1.8068207777861 768793 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)N 1 0.638 3 2 0 -13.6056926303794 768785 C1CCN(CC1)C2=NN=C(C3=CC=CC=C32)Cl 1 2.992 3 0 5.79662331025592e-002 768770 C1C2CC3CC1CC(C2)(C3)NC(=O)CC(=O)O 1 1.327 1 3 0 -7.68278170017021 768765 CC1=NC(=CS1)C2=CC=C(C=C2)OC 1 2.476 1 1 3.95908292424878 768764 COC1=CC(=C(C=C1)O)C(=O)CC(=O)C2=CC=C(C=C2)F 1 3.101 0 4 4.60020620432109 768761 CC1=C(OC2=CC=CC=C12)C(=O)N3CCOCC3 1 2.012 1 3 1.62349223923802 768759 C1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.05 2 2 -14.1145327843341 768745 CC1=CC(=NC2=CC=CC=C12)NC3=CC=C(C=C3)Br 1 4.702 2 0 10.1917435182348 768738 C1=CC(=C(N=C1)Cl)NC(=S)NC(=O)C2=CC=CO2 1 2.884 3 2 -7.63473472790515 768734 COC1=CC=CC=C1C(=O)NC(=S)NC2=C(N=CC=C2)Cl 1 3.472 3 2 -9.53863442127393 768728 C1CCN(CC1)P(=O)(N2CCCCC2)OCC(C(F)F)(F)F 1 1.978 2 2 0 -4.73273959094986 768718 C1=CC(=C(N=C1)Cl)NC(=S)NC(=O)C2=CC=C(C=C2)Cl 1 4.153 3 1 -7.00203476554453 768717 C1=CC(=C(N=C1)Cl)NC(=S)NC(=O)C2=CC=C(C=C2)F 1 3.694 3 1 -7.29602742914761 768716 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(N=CC=C2)Cl 1 3.975 3 1 -8.00790445461287 768692 CC1=C(SC(=C1C(=O)OC)NC(=O)NC2=CC=C(C=C2)Cl)C 1 3.46 2 3 -9.71982171471965 768687 CC1=NC2=NNC(=C2C=C1)N 1 0.316 4 0 0 -1.71867591430234 768666 C1=COC(=C1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.182 2 4 0 -9.98246053516816 768661 CCN1C2=C(C=C(C=C2)C(=O)O)C3=C1C(=O)CCC3 1 3.12 1 3 -3.23355206030695 768657 CC1=NC2=C(S1)C=C(C3=CC=CC=C32)OC 1 3.066 1 1 4.98436678902005 768655 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC3=C(C=C2)SC(=N3)C 1 3.354 2 2 -6.58761068056935 768654 COC1=CC=C(C=C1)NC(=O)CNC(=O)C2CCCCC2 1 2.12 2 3 -8.99476835422718 768642 CC1=CC=C(O1)C(=O)NCC2=C(C=CO2)C(=O)O 1 0.973 1 5 0 -6.47743346913759 768641 CC1=C(C=C(C=C1)C(=O)O)N2C(=CC(=C2C)C=O)C 1 2.872 1 3 -4.7323961662846 768638 CCN(CC)C1=CC=C(O1)C=O 1 1.968 1 2 0 -4.22358354364108 768630 CC1=CC2=C(C=C1)N=C(C=C(N2)C)C3=CC=CC=C3 1 4.05 2 0 -2.85010166070269 768568 CC(C)CC(=O)N1CCN(CC1)CC2=CC=C(C3=CC=CC=C23)OC 1 3.387 2 2 -3.30114364153851 768563 C1=CC=C(C=C1)/[N+](=C/C2=CC=NC=C2)/[O-] 1 1.346 2 1 0 -0.400676128418471 768560 CC1=CC(NC(=S)N1C2=CC=CC=C2)(C)C 1 3.715 2 0 -4.08192900118109 768528 C1=CC=C2C=C3C(=CC2=C1)NC(=N3)COC(=O)C4=CC=C(C=C4)N 1 3.139 3 2 -0.392866913080595 768516 CCCC1=C(C2=CC=CC=C2NC1=O)C 1 3.057 1 1 -5.50208672817123 768506 CCOC(=O)C1=C(C2=C(O1)C=CC(=C2Cl)C=NO)C 1 3.606 1 4 8.93449294923251 768502 CC(C)(CN1CCNCC1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.548 3 2 0 -10.0784109248262 768495 C1COCCN1C(=S)C2=NC3=CC=CC=C3N2 1 2.277 3 1 -1.27243980096935 768494 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=CO4 1 4.211 3 2 -5.7334772721434 768485 CCC1=C(C2=C(C=CC(=C2)C(=O)OCC)N=C1C)Cl 1 4.109 1 2 -4.52476894884296 768478 C1CCC2(CC1)OCC3(CO2)COC4(CCCCC4)OC3 1 2.086 0 4 -1.31451007693194 768476 C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)SCC(=O)O 1 2.391 0 4 -8.51534338705425 768473 CCN(CC)CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 3.791 1 1 1.00689968691569 768464 COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3Cl 1 4.171 1 2 -3.70691847629483 768447 CC1=CC=C(C=C1)CN(C)CCC2=CC=CC=N2 1 3.286 2 0 2.7862692265618 768446 COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.891 2 2 -4.19403979900004 768440 COC1=C(N(N=CC1=O)C2=CC=CC=C2)O 1 1.72 2 3 0 -0.46759470113375 768427 C1=CC=NC(=C1)C(=O)NN=CC2=CC=CO2 1 1.356 3 2 0 -7.57248046505093 768424 C1=CC=C(C=C1)CC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 2.69 3 3 -1.71444253304476 768423 COC1=C(C=C(C=C1)C2=NC(=NO2)C3CCCCC3)OC 1 3.574 2 3 -1.63840455062972 768419 C[C@H]1C2=C(CCN1)C3=C(N2)C=CC(=C3)OC 1 2.281 2 1 -3.81733943820173 768406 CCN(CC)CCN1C(=CC(=O)NC1=O)OC 1 0.695 3 3 0 -8.84905221702653 768391 CC1(CC(=O)C(=NNC2=CC=C(C=C2)OC(F)F)C(=O)C1)C 1 3.277 2 3 -6.49516556282972 768390 C1CCN(CC1)CC2=C(C3=CC=CC=C3OC2=O)Cl 1 3.219 1 2 -0.70888857117922 768384 CN(C)C1=C(C(=O)OC2=CC=CC=C21)N 1 0.474 2 2 0 -1.02757735987749 768382 C1CCN(C1)C2=CC(=O)OC3=CC=CC=C32 1 2.131 1 2 -1.55109436031587 768370 CC1=CC(=CC=C1)CN(C)CCC2=CC=CC=N2 1 3.286 2 0 4.0398366324709 768341 C1=CC(=CC=C1C2=CC=C(O2)C=NNC(=O)N)[N+](=O)[O-] 1 1.908 4 4 0 -3.8090083781272 768332 C1C2(CN3CN1CN(C2)C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 1.175 4 3 0 -7.48295065741773 768325 C1CCC(CC1)(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N 1 3.766 2 0 3.67634241708996 768321 C1=CC=C(C=C1)C=NNC(=O)C2=C(C=NN2)Br 1 2.167 4 1 -5.37761709114135 768318 CC1=CC=CC=C1NC(=O)C2=CC=CC=C2O 1 2.858 1 2 -2.88164478605282 768313 CN(C)CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 3.094 1 1 0.366167123405618 768298 CC1=CC(=NN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C 1 2.25 3 3 -9.05188230648829 768297 CC1=CC(=NN1C(=O)C2=CC(=CC(=C2OC)Cl)Cl)C 1 3.668 2 2 -5.41045947794215 768292 CCOC(=O)CN1C2=CC=CC=C2SC1=O 1 2.16 1 3 -4.02602958067591 768290 C1=COC(=C1)C=NNC(=O)C2=CC=NN2 1 0.813 4 2 0 -5.04664920465862 768288 COC1=CC=C(C=C1)CC(=O)N2CCC3=CC=CC=C3C2 1 2.92 1 2 -11.199213845246 768286 CCOC1=CC=CC=C1NC(=O)C2=CN=CC=C2 1 1.796 2 2 0 -10.3598501287867 768269 C1=CC(=CC=C1C=NNC(=O)C2=C(C=NN2)Br)[N+](=O)[O-] 1 2.061 5 3 0 -7.30007106141422 768267 CN1C=CC(=N1)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 1.656 5 3 0 -9.30660517379049 768265 COC1=C(C(=O)N(N=C1)C2=CC=CC=C2)OC 1 0.853 2 3 0 -3.76051279107214 768261 CN(CCC1=CC=CC=N1)CC2=CC=C(C=C2)Cl 1 3.464 2 0 4.60826791714862 768231 C1=CC=C(C=C1)CC2=C(SC(=C2C(=O)O)N)C3=CC=CC=C3 1 4.284 1 2 0.20584724055525 768228 CC1=CC(=CC=C1)N2C(=O)C(=C(C=N2)Cl)OC 1 2.02 2 2 1.76831741538788 768220 CN1C2=CC=CC=C2N(C1=S)CCC(=O)O 1 2.973 2 2 -9.47529550023314 768206 CC1(CN=C(S1)NC2CCCCC2)C 1 3.095 2 0 -6.34398952722159 768196 C1C(CS1)OC2=CC=C(C=C2)C=NNC(=O)CC#N 1 1.523 3 2 0 -12.7202328311911 768195 CCC1=CC=C(C=C1)CN(C)CCC2=CC=CC=N2 1 3.742 2 0 2.13013111267589 768194 CC1=CC=C(C=C1)CC2=CC=C(O2)C(=O)NNC(=S)N 1 2.714 3 2 -6.35880354612897 768193 CCN1C(=CC(=O)N=C1SCC(=O)N(CC)CC)O 1 1.411 3 3 0 -18.2812494694772 768189 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=CS3 1 0.666 4 3 0 -22.6273025770303 768186 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=N3 1 1.581 3 3 0 -18.0407745479022 768158 CC1=CC(=CC=C1)NC2=NC(=NC(=N2)Cl)NC(C)C 1 3.304 5 0 -3.21009956842403 768139 COC1=CC=CC=C1C=NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.185 2 2 -1.76299546359994 768133 CC(C)C(=O)N(C(=O)C(C)C)NC1=NC2=CC=CC=C2S1 1 3.209 3 2 0.327351378013468 768131 CC(C)C(=O)N1CCC(CC1)CNC=C2C(=O)CC(CC2=O)(C)C 1 1.247 2 3 0 -18.2118507258766 768129 CC(=C1C(=O)C2=CC=CC=C2C1=O)NCC3=CC=NC=C3 1 1.669 2 2 0 -3.59020035069757 768127 C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NNN=N4 1 1.876 5 1 0 -5.28507576503128 768126 CCC(=C1C(=O)CC(CC1=O)(C)C)NC2CC(NC(C2)(C)C)(C)C 1 1.946 2 2 0 -16.9352326316057 768122 CC(=C1C(=O)CC(CC1=O)(C)C)NCC2CCNCC2 1 0.836 2 2 0 -15.6028946944025 768120 COCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)Br 1 3.88 2 1 -2.1106560481323 768112 CC1=C(C=C2C(=C1)CCCC2=NNC(=O)C3=CC=CC=N3)C 1 3.695 3 1 -10.0270175701872 768098 C1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)Br 1 3.938 2 0 9.29604112158185 768082 COC1=CC(=CC2=C1OCO2)C=NNC(=O)C3=CN=CC=C3 1 1.284 3 4 0 -8.36770547740095 768081 C1CCN(CC1)CC2=NC3=CC4=CC=CC=C4C=C3N2 1 3.437 3 0 4.17695063471363 768034 CC1=C(SC(=N1)C)C2=CSC(=N2)NC3=CC=CC(=C3)C(=O)C 1 2.717 3 1 5.32608138305206 768002 CN(C)C(=S)C1=CC(=C(C=C1)OC)OC 1 2.634 1 2 -6.69128257371736 768000 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F 1 2.803 1 2 -12.9757480949255 767998 CC1=CC(=NN1C2=NC(=NC(=N2)N(C)C)N(C)C)C 1 1.247 7 0 0 -3.88005715270434 767995 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(O3)Cl 1 2.373 3 2 -8.42193255150515 767988 CC1=C(C(=NC(=N1)NC(=O)C)SC)Br 1 1.804 3 1 0 -6.48444904704488 767984 CC1=NC(=NC(=N1)NN)NCC2=CC=CC=C2 1 0.501 6 0 0 -0.346334144546271 767981 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)F 1 3.26 1 2 -12.9587451450448 767975 CCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 1 3.549 2 1 -18.2650831585063 767973 COC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCCC4 1 4.872 2 2 -10.150560257858 767952 CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2=NC(=CC(=N2)OC)C 1 3.174 3 3 -14.1961364358006 767951 CCN(C1=NC(=CC(=N1)OC)C)S(=O)(=O)C2=CC=CC=C2 1 2.42 3 3 -10.9327252282302 767927 C1=CC=C(C=C1)CNC(=O)CSC2=NC=NN2 1 1.316 4 1 0 -17.0592934413647 767923 C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CSC3=NC=NN3 1 1.708 6 1 0 -15.4391054229447 767921 C1=CC(=C(C=C1Cl)Cl)NC(=O)C2=CC=C(O2)Br 1 3.906 1 2 -2.52916762145044 767920 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N 1 0.866 2 3 0 -18.1424817551323 767919 C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O 1 2.914 1 5 -1.24122013701681 767910 C1=CC=C2C(=C1)NC(=N2)SCC3=CSC(=N3)N 1 2.478 4 0 0.739780860416157 767908 CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)Cl)Cl 1 2.603 1 4 -7.12453386481084 767904 C1CCN(CC1)CC2=CSC(=N2)N 1 1.286 3 0 0 4.08548863996094 767898 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl 1 1.938 1 4 0 -10.4756935996102 767897 CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCOCC2 1 0.75 1 5 0 -17.1452616011753 767893 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O 1 2.158 1 4 -16.1872085163215 767862 C1=CC2=C(C=C1NC(=O)C3=CC(=CC(=C3)N)N)C(=O)NC2=O 1 -5.3e-002 4 3 0 -9.96307981670873 767861 C1=CC(=CC=C1C2=NC3=CC(=C(C=C3S2)N)Cl)C(=O)O 1 3.386 2 2 4.81106751073739 767858 COC(=O)C(=C/C=C/C1=CN=CC=C1)C(=O)OC 1 1.286 1 4 0 1.25941184872959 767847 C1CN(CCN1CCO)CC2=CC3=CC=CC=C3C=C2 1 2.229 2 1 7.40850511822303 767837 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.432 3 3 -3.36435010435355 767828 CC1=CSC(=N1)NC(=O)CCN2C3=CC=CC=C3SC2=O 1 2.268 3 2 -6.70003119595722 767824 CC1=C(SC=C1)/C=C(/C#N)\C(=O)NCC2=CC=CC=C2 1 3.368 2 1 -12.9015807586405 767798 C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)Cl 1 3.115 2 3 -5.19474822391323 767794 COC1=CC=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)OCO3 1 2.435 2 4 -7.42971312364419 767778 CC1=CC=C(C=C1)C2=NN=NN2C3=CC=C(C=C3)C 1 3.614 4 0 -4.31397772979326 767774 COC1=C(C=C(C=C1)Cl)NC(=O)C2=CN=CC=C2 1 2.112 2 2 -6.31867979377738 767752 COC1=CNN(C(=O)C1=O)C2=CC=CC=C2 1 6.3e-002 2 3 0 -0.264983735007372 767749 C1=CC=C(C=C1)C=NN2C=NC3=CC=CC=C3C2=O 1 2.601 3 1 -2.26262240207821 767741 C1=CC=C(C=C1)CNC(=O)CCN2C3=CC=CC=C3SC2=O 1 2.995 2 2 -11.6100141149474 767728 CN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.852 1 2 -3.04650298779928 767721 CN1C(=O)C(=C(C=N1)Cl)OC2=CC=C(C=C2)Cl 1 2.198 2 2 2.71637381679018 767718 CN1C(=O)C(=C(C=N1)Cl)OC2=CC=CC=C2 1 1.534 2 2 0 1.22227011575304 767717 C1CCC(CC1)NC(=O)CCN2C3=CC=CC=C3SC2=O 1 3.27 2 2 -8.76054422597482 767694 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.736 1 2 -9.21687553491751 767693 COC(=O)C1=CC=CC=C1NC(=O)CCN2C3=CC=CC=C3OC2=O 1 2.286 2 5 0 -13.4852705656769 767691 CSC1=CC=CC=C1NC(=O)CCN2C3=CC=CC=C3OC2=O 1 2.972 2 3 -12.0106992337281 767690 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 1.037 1 4 0 -15.8858404243065 767670 COC1=CC=CC=C1CCNC(=O)CCN2C3=CC=CC=C3OC2=O 1 2.742 2 4 -15.7447373757573 767669 CC1=CC(=C(C(=S)N1)C#N)C2=CC=CC=C2 1 2.601 2 0 -4.54599578921022 767653 C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)N)C#N)C3=CC=NC=C3 1 2.381 4 1 -11.1061298765472 767651 C1COCCN1C(=O)CCN2C3=CC=CC=C3OC2=O 1 0.747 2 4 0 -10.272718098809 767637 COC1=CNN(C(=O)C1=O)C2CCCCC2 1 0.344 2 3 0 -1.55868445683383 767634 CN(C)C1=C(C=NN(C1=O)C2=CC=CC=C2)OC 1 0.936 3 2 0 -2.62889551446195 767631 COC1=CC=C(C=C1)C(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2 1 4.107 1 2 -4.3338682815216 767584 CC1=CC=C(C=C1)C2=CN=C3N2CCCCC3 1 3.647 2 0 2.68645004070556 767585 C1=CC=C2C(=C1)C3=C(C(=O)N2)C(=O)N=C4N3C=CC=C4O 1 -0.114 3 3 0 -9.95446591570675 767628 CC1=C(C(=CC=C1)C)NC(=O)C2=CN=CC=C2 1 2.436 2 1 -7.26977211251187 767618 CCOC(=O)C1=C(OCC1=O)NC2=CC(=CC=C2)Cl 1 2.549 1 4 -2.52810473829236 767617 C1=CC2=NSN=C2C(=C1)NC(=O)C3=CN=CC=C3 1 1.592 4 1 0 -6.64404520004117 767604 CC1=NN=C(O1)CN2C3=CC=CC=C3N=C2C4=NON=C4NC(=O)C 1 0.78 7 3 0 -12.987430291614 767598 CC1=C(C=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C=O)C 1 3.697 2 2 -6.30119738221239 767560 CN1CCC2=C(C3=CC=CC=C3N=C21)NC(=O)CN4CCCC4 1 1.759 4 1 0 -3.6726220332583 767556 C1=CC=C(C=C1)NCC(=O)NC2=CC=CC3=CC=CC=C32 1 3.183 2 1 -8.08649299429649 767550 C1CCC(CC1)NC(=O)NNC(=O)C2=CC=NC=C2 1 0.91 4 2 0 -10.1123898049295 767548 C1=CC=C(C=C1)C2=CSC(=N2)NC3=NC=CC=N3 1 2.429 4 0 4.3216224527452 767530 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C(=O)C4=CC=CC=C4C3=O 1 2.096 3 3 -8.44706445583118 767504 C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CS3)C4=CC=CC=C4 1 5.352 2 0 2.35900904641764 767493 CC1(CC2=CC=CC=C2C3=C1C(=O)N4CCSC4=N3)C 1 3.246 2 1 -11.7161060730072 767491 CN1C2=CC(=CN=C2N(C1=O)C)Cl 1 1.157 3 1 0 -5.27739400366257 767487 CC(=C)CN1C(=NNC1=S)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.059 4 2 -9.86482312000206 767483 C1CCC2=C(C1)C3=CC(=C(N=C3S2)N)C(=O)N4CCOCC4 1 2.017 3 2 -11.5530827957565 767452 CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NC)C#N 1 3.048 4 0 -11.9062526589941 767435 CCCC1=C(C2=C(C=CC(=C2)C)NC1=O)C 1 3.543 1 1 -4.51679344424993 767427 CNC1=CC=CC=CC1=S 1 1.413 1 0 0 -5.14774180342366 767426 CCCC1=C(C2=C(C(=CC=C2)C)NC1=O)C 1 3.543 1 1 -5.02586477007852 767425 COC1=CC=C(C=C1)NS(=O)(=O)/C=C/C2=CC=CC=C2 1 2.243 1 3 7.79159326754534 767424 C1COCCN1S(=O)(=O)/C=C/C2=CC(=CC=C2)Br 1 1.325 1 3 0 -1.86209179278171 767413 CC1=C(C=CC(=C1)C2=CC3=CC(=C(C=C3C(=N2)C)OC)OC)OC 1 4.254 1 3 2.51539013493813 767411 CCOC1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C(=N2)C)OC)OC 1 4.116 1 3 -0.823951986501826 767410 C1=CC=C(C=C1)C2=NN=NN2C3=CC=C(C=C3)Cl 1 3.306 4 0 -2.14017651330409 767405 CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 1 3.058 1 2 -12.7388348836872 767400 CC(C)C1=CC(=CC(=C1O)C(C)C)NC2=CC(=CC=C2)O 1 5.284 1 2 6.00299773896259 767399 CC1=CC=C(C=C1)NC2=CC(=C(C(=C2)C)O)C 1 4.596 1 1 2.33797596979262 767385 CC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)C 1 3.569 2 1 -7.25815449712429 767383 CCN1C(=C(C#N)C#N)C=CC2=CC=CC=C21 1 2.445 3 0 0.679316843200079 767374 C1=CC2=C(C=C1Cl)SC(=C2Cl)C(=O)NC3=NC=CS3 1 4.093 2 1 0.548837595057873 767348 CCN1C2=C(C=CC1=O)C=C(C=C2)[N+](=O)[O-] 1 1.701 2 3 0 -1.22981395326103 767343 COC1=CC=C(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Br 1 4.874 0 2 0.779376617309629 767342 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)SC(F)(F)F)N 1 5.165 1 1 4.85459215209176 767341 C1=CC(=CC=C1C(=O)NC2=CC=NC=C2)Br 1 2.212 2 1 -4.09659079126399 767333 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCC3=CN=CC=C3 1 2.082 2 2 -3.42517697333303 767330 CC1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 3.024 1 2 -13.7194247388697 767326 CC1=CC2=NC(=CN2C=C1)C3=CC4=C(C(=CC=C4)OC)OC3=O 1 3.017 2 3 -2.93045060567038 767319 CC1=CC2=NC(=CN2C=C1)C3=CC4=C(C=CC(=C4)OC)OC3=O 1 3.017 2 3 -1.872124361859 767317 CC1=CC=CN2C1=NC(=C2)C3=CC4=C(C(=CC=C4)OC)OC3=O 1 3.017 2 3 -3.31993558041671 767305 C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC(=C3)N)N 1 1.787 3 1 0 9.51630208819877 767302 CC1=CC=CN2C1=NC(=C2)C3=CC4=CC=CC=C4OC3=O 1 3.033 2 2 -3.39716635712792 767296 C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)Br 1 4.467 2 1 -4.31797221834575 767265 C1=COC(=C1)C2=NNC(=S)N2C3=CC=C(C=C3)Cl 1 3.738 3 1 -0.518472380171474 767260 CC(=C)CN1C(=NNC1=S)C2=CC=CS2 1 3.118 3 0 -10.0670146393292 767235 C1=CC=C(C=C1)CC2=NNC(=S)N2N 1 1.439 4 0 0 -7.81759026908275 767229 CC(C)C1=NN=C(S1)NC(=O)CSC2=NC=NN2 1 1.174 6 1 0 -18.6466345800129 767227 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC=NN3 1 2.254 5 1 -8.41482555279024 767208 CC1=C(C(=C(N1C2=CC(=CC=C2)OC)C)C(=O)C)C(=O)C 1 2.46 1 3 -2.99149050808702 767205 CCOC(=O)C1=C(C(=C(S1)C)C(=O)NC2CCCCC2)N 1 2.452 2 3 -11.3879697483974 767194 C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3S2 1 3.18 2 1 -9.83297398135795 767187 C1COCCN1C2=NC(=O)SC2 1 0.199 2 2 0 -6.07430738716254 767169 C1=CC=C2C=C(C(=CC2=C1)C(=O)O)NCCC(=O)O 1 1.906 1 4 0 -6.28775940376863 767168 COC1=CC=C(C=C1)C(=O)CC2=CC(=C(C=C2)OC)OC 1 3.219 0 4 -5.24442192380305 767167 COC1=C(C=C(C=C1)C2=C(N(N=C2)C3=CC=CC=C3)N)OC 1 2.92 3 2 -2.07897919587647 767150 CC1=CC(=CC=C1)OCC2=NNC(=S)N2C3=CC=CC=C3 1 4 3 1 -3.69950279500417 767119 COC1=CC=CC=C1NCN2C(=O)CCC2=O 1 0.836 2 3 0 -8.89479775698148 767113 COC(=O)C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2CCCC2 1 2.592 1 4 -12.0377891465203 767110 COC1=C(C2=C(CN(C2=O)C3=NC=NN3)C=C1)OC 1 0.843 4 3 0 -9.62311435442087 767108 COC1=CC=C(C=C1)N2CC3=C(C2=O)C(=C(C=C3)OC)OC 1 2.524 1 4 -6.36110990099902 767106 CC(C)C=NNC(=O)C1=CC(=CC=C1)N2CCCC2=O 1 1.622 3 2 0 -18.0562149357194 767103 C1CCC(CC1)C2=NN=C(O2)C3=CC=C(C=C3)Cl 1 4.18 2 1 3.76332837047112 767101 CC1=CC(=NN1)C(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)Cl 1 3.57 4 2 -0.815835995303827 767097 CCOC1=NC(=NC(=N1)NC(C)C)NCCN2CCOCC2 1 1.066 6 2 0 -8.49672995019814 767072 CC(=O)NC1=C(C2=CC=CC=C2OC1=O)NC3=CC=CC=C3 1 1.814 2 3 0 -4.34709102751306 767071 CC(=O)NC1=C(C2=CC=CC=C2OC1=O)NC(C)(C)C 1 0.89 2 3 0 -9.59222558286678 767069 CC(=O)NC1=C(C2=CC=CC=C2OC1=O)N 1 -0.473 2 3 0 -5.37342483325432 767062 CC(C)CNC1=C(C(=O)OC2=CC=CC=C21)N 1 1.13 2 2 0 -4.02378358335558 767035 CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N5C1=NN=C5 1 3.215 4 1 -8.54155943050633 767034 CC1=CC(=C(C(=C1)C)C(=O)C2=CC=C(C=C2)C(=O)N3CCCCC3)C 1 5.023 1 2 -6.22422311045228 767017 C1C2CC3CC1CC(C2)(C3)CC(=O)NCO 1 1.407 1 2 0 -5.8883009296025 766979 COC(=O)C1=CC=C(O1)CC2=CC=CC=C2 1 2.925 0 3 -4.55849456933968 766972 CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C)C)C 1 2.577 3 1 -2.18226718130595 766970 C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.948 2 1 -8.33619965425869 766939 C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3 1 3.616 3 2 -10.1797592761289 766936 COC1=CC=C(C=C1)C(=O)CCNC2=CC3=C(C=C2)OCCO3 1 2.912 1 4 -5.43108924809607 766935 CC1=CC=C(C=C1)S(=O)(=O)N=CC2=CC=C(C=C2)OC 1 2.824 1 3 -3.73875674981627 766932 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2=O)C 1 2.445 1 3 -9.7723722746382 766925 C1COC2=C(O1)C=CC(=C2)C(=NO)CCC3=CC=CC=C3 1 3.578 1 3 -1.73126872924593 766918 C1COC2=C(C=C(C=C2)C(=O)CCC3=CC=CC=C3)OC1 1 3.573 0 3 -4.49405059765567 766916 C1=CC(=CC=C1/C=C(/C#N)\C(=S)N)F 1 2.212 2 0 -4.71641216717771 766893 C1CSC(=N1)SCC(=O)NCC2=CC=CO2 1 1.684 2 2 0 -19.4545689739413 766891 C1CSC(=N1)SCC(=O)NC2=CC=CC3=CC=CC=C32 1 3.404 2 1 -14.4023664291555 766872 CCCC1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2 1 2.923 5 1 -13.0362564183691 766868 CCC1=CC(=C(C(=C1)CC)C=NNC(=O)N)CC 1 3.636 3 1 -4.72076390155493 766823 CC1=CC(=C(C=C1)OC)NCC2=CC(=C(C=C2OC)OC)OC 1 3.642 1 4 -2.55070662220494 766807 COC1=C(C=C(C=C1)CNC2=CC=CC=C2)Br 1 3.954 1 1 -1.5809259619777 766801 CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC3=CC=C(C=C3)O)CC=C 1 4.171 3 1 4.83588477155701 766793 CCN(CC)C(=O)N1C2=CC=CC=C2C=CC3=CC=CC=C31 1 3.788 2 1 -3.47375391620448 766791 C1=CC=NC(=C1)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 2.365 3 3 -5.5318028838652 766789 COC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31 1 3.976 1 2 -1.75637846033815 766783 CN(C)C1=NC(=NC(=N1)N(C)C2=CC(=CC(=C2)Cl)Cl)OC 1 3.482 5 1 -2.82162228652072 766781 C1=CC=C(C=C1)C=NN2C=NNC2=S 1 2.004 4 0 -3.1475072995064 766779 CCNC1=NC(=NC(=N1)NC(=S)N)NCC 1 0.657 7 0 0 -5.48318333085014 766778 C1CN(CCN1CC2=C(C=CC3=CC=CC=C32)O)C4=CC=CC=C4 1 4.199 2 1 11.8590517918863 766777 CN(C)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)Cl)Cl)N(C)C 1 2.834 6 0 0.11118439229358 766776 CC(C)NC1=NC(=NC(=N1)NC(=S)N)NC(C)C 1 1.412 7 0 0 -8.49672382381073 766765 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=CC=C2O 1 1.818 2 4 0 -5.72379192152574 766763 CC1=C(C(=O)N(N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O 1 2.899 2 3 -7.11368412318357 766762 CC1=C(C(=O)N(N1C2=CC=CC=C2)C3=CC=CC=C3)C=O 1 2.921 2 2 -5.03005092231215 766731 CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)F 1 4.091 2 2 -8.09853911957966 766718 CC(=O)N1C(SC(=N1)N)(C)C 1 -7.8e-002 3 1 0 -5.30278382638804 766713 CCOC(=O)CN1C(=CC(=C(C1=O)C#N)COC)C 1 5.5e-002 2 4 0 -10.4270391706651 766702 CC(=NNC(=O)C1=CC=CC=C1)/C=C/C2=CC=CC=C2F 1 3.327 2 1 -4.87560759732632 766691 CCOC(=O)C1=C(N=C2C3=CC=CC=C3OC(=O)C2=C1C)C 1 3.201 1 4 -5.17943104809897 766689 CCC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=C2)Br 1 3.397 2 2 -5.40010061492002 766685 CC1=C(SC(=C1C#N)NC(=O)CCCC(=O)O)C 1 1.548 2 3 0 -20.5096643535527 766681 C1=CC2=C(C(=C1)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-])NC=C2 1 2.871 4 3 0 -3.04792843963649 766678 C1=CC2=C(C(=C1)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-])NC=C2 1 2.871 4 3 0 -2.3774674355443 766676 C1=CC(=C(C(=C1)Cl)Cl)C=NNC(=O)CO 1 1.675 2 2 0 -7.51954802851296e-002 766667 CC1=CN2C(=NC(=C2C(=O)NN=C3CCCCCC3)C)C=C1 1 2.802 4 1 -7.69716801404851 766665 C1COCCN1/C=C(\C#N)/C2=CC=CC=C2 1 1.365 2 1 0 -7.82934181885828 766647 C1=CC=C(C(=C1)C(=O)NC2=NC=C(C=C2)Cl)[N+](=O)[O-] 1 2.562 3 3 -6.03830692931909 766646 C1=CC=C(C(=C1)C(=O)NC2=CC=NC=C2)[N+](=O)[O-] 1 1.358 3 3 0 -8.31762874777771 766644 CC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)N3CCCC3 1 3.654 3 1 -0.821875296605276 766611 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=CC=CC=C3C=C2OC 1 3.473 1 4 -5.80571002486366 766594 CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)CCC(=O)O 1 2.066 2 4 -15.6655760826566 766586 CC1=CC=CC=C1NC(=O)C2=NC(=CC=C2)C(=O)NC3=CC=CC=C3C 1 4.078 3 2 -10.1449927032777 766565 CC1=C(C2=C(C=C1)N=C(C=C2)C)[N+](=O)[O-] 1 2.679 2 2 2.81053930937272 766540 C1=CC=NC(=C1)N(C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.068 4 3 0 -7.24020679908903 766535 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 1.931 1 5 0 -5.75602028834774 766530 C1CCC(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3 1 3.999 1 3 -14.4301387802519 766514 CN(CC1=CC=CC=C1)C(=O)CN2CCCC2=O 1 0.684 2 2 0 -20.4041643310254 766509 CCOC(=O)C1=C(N=C(C=C1NC2=CC=CC=C2N)C)C 1 2.252 3 2 -4.3646822288571 766506 C1=CC(=CC=C1C(=O)C2=CC=NC=C2)Br 1 2.832 1 1 -1.34269300676795 766502 C1CCC2=C(C1)C3=C(O2)CCCC3=O 1 2.708 0 2 -8.77151097174397 766486 C1=CSC(=C1)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.531 3 3 -7.47509937916526 766484 CC(C)CCP(=O)(C1=CC=CC=C1)O 1 2.767 0 2 -5.78115334114187 766481 C1=CSC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Br 1 2.573 2 2 -6.56606422358933 766458 CC1=CC=CC=C1OCC(=O)NN=CC2=CC=CO2 1 2.4 2 3 -5.33204468499251 766425 C1=CC(=CC=C1NC(=O)CCCC(=O)O)Br 1 2 1 3 0 -11.9453426182957 766383 CC(C)CC1C(=C(SC(=C1C#N)N)N)C#N 1 1.595 4 0 0 -7.35757279493238 766356 CC1=CN(C2=CC=CC=C12)CC(=O)C3=CC=CC=C3 1 4.071 1 1 -3.06096440079197 766352 COC1=C(C=C(C=C1)CC(=S)N2CCOCC2)OC 1 2.357 1 3 -7.7663140128189 766342 COC1=C(C(=C(C=C1)C=NNC(=O)C2=CN=CC=C2)C(=O)O)OC 1 1.129 3 5 0 -9.96072354581864 766339 CC1=CC(=NC(=N1)N(CCOC2=CC=C(C=C2)Cl)C#N)C 1 2.908 4 1 0.313229708378152 766335 C1=CC=C(C=C1)/C=C(\C=NNC(=O)C2=CC=CO2)/Br 1 2.891 2 2 -7.95963791355036 766333 CC(C)NC1=NC(=O)N2CCN(C2=N1)C(C)C 1 1.543 5 1 0 -9.50340964635885 766332 CC1=CC(=NC(=N1)N(CC2=CC=CC=C2)C#N)C 1 2.195 4 0 -1.00320826622125 766326 COC1=C(C=C(C=C1)C(=O)NC2=CN=CC=C2)OC 1 1.431 2 3 0 -9.61235388116132 766322 CCNC1=NC(=NC(=N1)OCC(=O)O)NCC 1 0.343 5 3 0 -8.91937583853205 766319 CC1=CC=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)Br 1 3.106 2 2 -8.30168334152916 766316 CC1=CC(=NN1C2=C(C(=C(C(=C2F)F)CO)F)F)C 1 2.702 2 1 -2.31459794602893 766311 CCOC(=O)C1=C(N(C(=S)S1)C2=CC=C(C=C2)Cl)C 1 4.71 1 2 -5.54965201243521 766309 CC(C)C1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1N 1 1.792 3 2 0 -20.2506291057588 766307 CC1(CC2=C(CO1)SC3=C2C(=O)OC(=N3)C4=CC=CC=C4)C 1 3.466 1 3 -18.4216941839362 766290 CC1=C(C2=C(N1C)C=CC(=C2)[N+](=O)[O-])/C=C/C(=O)C 1 2.567 2 3 0.323266198276002 766289 C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)O 1 2.279 1 3 -9.09514771071876 766284 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C3CCCCC3 1 4.995 1 2 1.55577665012804 766267 C1C(=NC2=C(C=C(C=C2)Br)NC1=O)C3=CC=CC=C3 1 3.29 2 1 -2.4321556717042 766247 CC1=CC(=C2C(=O)OC(=N2)C3=CC=CC=C3)C=C(O1)C 1 2.396 1 3 -5.90911400461832 766246 C1=CC=C(C=C1)N2C(=C(NC2=O)Cl)C=O 1 1.271 2 2 0 -3.08546075708056 766194 C1COCCOCCOCCN1CC2=CC=CC=C2 1 1.329 1 3 0 1.29105647493112e-002 766190 C1CN(CC2=C1C3=CC=CC=C3N2)CC4=CC(=C(C=C4)Cl)Cl 1 5.262 2 0 5.48787930489073 766188 C1CCN(C1)C(=O)C2=CC(=CC=C2)Br 1 2.453 1 1 -3.71273545162552 766187 CC1=C(C(=C2C=C(C=CC2=N1)[N+](=O)[O-])C3=CC=CC=C3)C(=O)C 1 3.451 2 3 -1.31692865012272 766181 CC1=CC(=C(C=C1)C)C(=O)CN2CC3=CC=CC=C3C2=O 1 3.225 1 2 -6.56501914133621 766178 C1=CC(=CN=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)N)N 1 1.083 4 1 0 -3.87727643676131 766172 C1=COC(=C1)/C=C(\C#N)/C(=O)NN2C=NN=C2 1 -6.5e-002 5 2 0 -13.6866726777969 766163 CC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2)C(C)C 1 3.869 1 3 -7.70978148068531 766158 C1=CC=C(C=C1)C(=S)NS(=O)(=O)C2=CC=CC=C2 1 3.088 1 2 -4.73781330140093 766152 C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NN3C=NN=C3 1 1.745 5 2 0 -10.3781295275811 766141 C1=CC(=CC=C1C2=NNN=N2)Br 1 2.047 4 0 2.2617049682884 766117 C1=CC(=CC=C1C2=CC=C(O2)C=O)F 1 2.999 0 2 3.44646982365718 766092 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)OC)OC 1 1.702 2 4 0 -12.1727918433862 766079 CC(=O)C(C(=O)C)C1(C(=O)C2=CC=CC=C2C1=O)O 1 0.172 0 5 0 -3.13892340541085 766072 C1=CC(=CC=C1C=NN2C(=NN=N2)N)Br 1 1.329 6 0 0 -4.02771417074896 766064 C1CN(CC2=C1C3=CC=CC=C3N2)CC4=CC(=CC=C4)Cl 1 4.597 2 0 5.828381338986 766060 CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CS2 1 2.955 0 3 -9.76509728099323 766049 CSC1=CC=C(C=C1)CN2CCC3=C(C2)NC4=CC=CC=C34 1 4.475 2 0 6.13327131174411 766048 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2 1 1.319 2 3 0 -8.84615578723538 766041 CN1CCN(CC1)N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.62 4 3 0 3.17923978748996 766037 CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)O 1 3.654 1 2 -1.88806920749447 766032 CC1(CC(=CC(=O)C1)NC2=CC3=C(CCC3)C=C2)C 1 3.76 1 1 -16.1275520481937 765996 CN(C)C1=CC=C(C=C1)C=C2C(=O)OC3(CCCC3)OC2=O 1 2.983 1 4 -4.32553947152806 765993 CCN(CC)C1=CC=C(C=C1)C=C2C(=O)OC3(CCCC3)OC2=O 1 3.681 1 4 -6.61892533278665 765983 CCN(CC)C1=CC=C(C=C1)C=C2C(=O)OC3(CCCCC3)OC2=O 1 4.137 1 4 -6.97339384695473 765967 COC1=CC(=CC(=C1OC)OC)CN2CCSCC2 1 2.286 1 3 -1.78636518775255 765951 CC1=NN(C(=C1C=NNC(=O)C2=CC=CO2)Cl)C3=CC=CC=C3 1 3.046 4 2 -2.42269610026616 765942 CC(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCOCC2 1 2.593 1 2 -6.07668166560633 765930 CC1=C(C=CC(=C1O)C(=O)COC2=CC=C(C=C2)F)O 1 3.277 0 4 5.5686972014961 765919 CCCC1=C(C=C(C(=C1)C(=O)CC2=CC=C(O2)C(=O)OCC)O)O 1 4.074 0 6 6.40642845319847 765902 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CS2)Br 1 2.852 1 2 -3.50107986324296 765894 CC1(CC2=CC(=C(C=C2C3=NC4=CC=CC=C4C(=O)N31)OC)OC)C 1 3.323 2 3 -8.40833760576319 765893 COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CS2)OC 1 2.071 1 4 -7.24782617307458 765891 C1=CC=C(C=C1)/C=C/C=C(/C#N)\C(=O)NC2=CC=CC=C2 1 3.389 2 1 -7.30770149298088 765887 C1=CC=C(C=C1)/C=C/C=C(\C#N)/C(=O)NC2=CC=CC=C2 1 3.389 2 1 -7.30770149298088 765861 CC1=CC(=CC=C1)OC(=O)N2C3=C(C=C(C=C3)Cl)OC2=S 1 5.599 1 3 10.6984291322405 765855 CN1CCC(CC1)N(C)CC2=CC(=C(C=C2)OC)OC 1 1.981 2 2 0 -0.825286183229345 765854 C1=CC=C(C=C1)CCC2=NC3=C(O2)C=CC(=C3)N 1 3.025 2 1 1.86875717152951 765844 C1=CC(=CC=C1NC(=O)CCCC(=O)O)Cl 1 1.916 1 3 0 -10.4886828731942 765841 CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CS2)C 1 3.076 1 2 -3.31747960046784 765832 C1=CC(=CC=C1NC(=S)N)OC2=CC=C(C=C2)NC(=S)N 1 3.891 4 1 -0.536226647443945 765829 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CS2)C 1 3.076 1 2 -4.01762750742851 765827 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=CS2 1 2.432 1 2 -6.97933787418683 765826 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CS2 1 2.111 1 2 -5.50565242651763 765825 CC1=C(C=CC(=C1OC)CN2CCCN(CC2)C)OC 1 2.376 2 2 7.30048968482092 765820 C1CCC(CC1)NS(=O)(=O)C2=CC=CS2 1 2.385 1 2 -8.59464622102025 765813 CC1=CC=C(N1C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C 1 3.781 2 1 -7.63455776240352 765802 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC=NC=C3 1 2.982 2 1 -1.29903333475168 765801 CC1=C(C=CC(=C1)Br)NC(=O)C2=CC=CO2 1 3.244 1 2 -5.46677622175218 765799 CCOC(=O)CSC1=CN2CCCC2=N1 1 1.576 2 2 0 -13.1935565187247 765798 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)Br 1 1.366 1 4 0 -14.3381272473423 765796 CN1CCN(CC1)CC2=CC3=CC=CC=C3C=C2 1 2.769 2 0 7.25138781720471 765795 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)Br 1 2.139 1 3 -12.0254760117245 765790 COC1=C(C=C(C=C1)S(=O)(=O)NC2CCCC2)Br 1 2.875 1 3 -7.12172119140703 765763 CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 1 3.511 1 2 -4.63937450241081 765760 C1=CC(=CN=C1)C(=O)NC2=NC=C(C=C2)Cl 1 1.517 3 1 0 -4.21607274604528 765753 C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CN=CC=C3 1 2.372 2 1 -4.05425071914848 765738 C1CCN(CC1)C(=S)SCC(=O)O 1 2.603 1 2 -10.064445452525 765728 CC(C)(C)C1CCC(=NNC(=O)CC(=O)NCC2=CC=CC=C2)CC1 1 2.882 3 2 -15.8092125594519 765724 CC1(CC2=CC=CC=C2C3=NN=C(N31)C4=NC5=CC=CC=C5C=C4)C 1 4.521 4 0 2.06804259460152 765694 C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=CC=CC(=C2)C(=O)O 1 1.889 1 4 0 5.27400293718908 765689 CN(C)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=C(C=C3)Cl 1 3.68 4 1 -3.61376671942824 765667 CC(=O)CC(=O)NC1=CC=C(C=C1)SC 1 1.403 1 2 0 -2.76813568441195 765658 C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CO2 1 2.336 0 4 -8.72183144688567 765638 CC1=CC=C(C=C1)C(=O)NNC(=O)CNC2=CC(=CC=C2)Cl 1 2.682 3 2 -6.52388982775391 765635 CCC1=NN=C(S1)NC(=S)NC2=CC=CC=C2 1 3.296 4 0 -12.3645417780295 765634 CC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)CC(C)C 1 4.944 2 1 -5.59585282055212 765630 CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC=C3 1 4.458 2 1 -5.92091995593788 765629 CC(C)(C)C1=C(N=C(S1)N)C2=CC=CC=C2 1 3.719 2 0 7.22021590787524 765621 CC1=CC(=CC=C1)CN2CCC3=C(C2)NC4=CC=CC=C34 1 4.419 2 0 4.66093840270838 765611 COC1=CC=C(C=C1)OCC(=O)NS(=O)(=O)C2=CC=CC=C2 1 2.008 1 5 -8.48381169504713 765586 CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C 1 2.045 2 3 -12.52773091616 765577 CC1=CC(=C(C=C1)CN2CCCN(CC2)C)C 1 2.895 2 0 6.09543630157153 765575 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3 1 2.648 2 3 -18.5402098476608 765559 CCOC1=CC=C(C=C1)CN2CCSCC2 1 2.668 1 1 2.28339134622186 765554 C1CN(CCN1CC2=C(C=C(C=C2)F)F)C3=NC=CC=N3 1 2.066 4 0 6.94861051791852 765549 CC1=CC(=CC=C1)CN2CCN(CC2)C3=CC=CC=N3 1 3.407 3 0 6.72001864153783 765548 COC1=C(C=C2C(=C1)CCCC2=NNC(=O)C3=CC(=CC=C3)F)OC 1 3.618 2 3 -10.7711006965144 765547 COC1=C(C=C2C(=C1)CCCC2=NNC(=O)C3=CC=CO3)OC 1 2.807 2 4 -11.4757258323748 765546 COC1=CC(=CC(=C1OC)OC)C2=NN=CO2 1 1.079 2 4 0 -2.60351420361943 765543 C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C#N 1 2.647 1 2 -4.15855574824487 765540 C1CC(=C(C(=O)C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)O 1 1.548 0 5 0 -8.35089392716638 765511 C1CC2=NC(=CN2C1)C3=CC=CC=C3 1 2.386 2 0 0.623479338368097 765496 C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=CC=C(C=C2)C(=O)O 1 1.889 1 4 0 5.33200551834314 765489 C1=CC=C(C=C1)C(=O)NNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.453 3 3 0 -7.20973534311865 765480 CC1=NN(C=C1)C(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4 1 3.751 4 1 -7.78000191346559 765475 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)N 1 2.682 3 2 2.58008348342938 765471 CC1=CC(=C2C(=C1)C(=C3C(=CC(=NC3=N2)C)C)N)C 1 3.392 3 0 0.400115591345169 765467 CCCC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 3.934 2 2 -0.422441444731684 765466 C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2Br 1 3.271 2 1 -5.10853028032657 765465 CC1=CC(=CS1)C(=O)N(C2=CC=CC=C2)NC(=O)C(C)C 1 2.926 2 2 -16.2626163422346 765461 CC1=NN=C2N1C3(CCCC3)CC4=CC(=C(C=C42)OC)OC 1 2.885 3 2 -4.80162455747745 765457 CC(C)COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O 1 3.486 1 4 -11.4220863284073 765456 COC1=C(C=C2C(=C1)CC3(CCCC3)NC2=S)OC 1 3.431 1 2 -4.46097665630681 765444 CC(C)(CC1=CC=C(C=C1)O)NC(=O)C2=CC=CC=C2 1 3.283 1 2 -5.06859018173724 765425 CCOC(=O)CC(=O)NC1=CC=C(C=C1)C(=O)OCC 1 1.539 1 5 0 -9.28556005078876 765418 CCOC1=CC=CC=C1CN2CCC(CC2)O 1 1.668 1 2 0 0.51802063678556 765411 CCC1=CC=CC=C1NC(=O)C2=CC=CS2 1 3.51 1 1 -6.7999751200254 765410 COC1=CC=CC=C1C=NN2C(=NN=N2)N 1 0.564 6 1 0 -4.23813194082572 765404 CN1C=CC=C1C(=O)NS(=O)(=O)C2=CC=CC=C2Cl 1 2.444 2 3 -8.944786236127 765394 CCOC(=O)C1CCN(CC1)CC2=CC3=CC=CC=C3C=C2 1 3.488 1 2 0.844915507689725 765392 C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC=C(O3)Br 1 3.486 1 2 -2.38105326869059 765378 CC(C)N(C1=NN=C(S1)N)C(C)C 1 1.093 4 0 0 -0.91462529429496 765363 COC1=CC=CC=C1NC(=O)C2=CC=C(O2)Br 1 2.561 1 3 -7.89340192944883 765362 COC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(C=C3)F 1 3.722 2 1 5.61684540079795 765352 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CO2 1 1.13 2 3 0 -6.25352541789614 765348 CC1=C(C=C(C=C1)[N+](=O)[O-])N/C=C/2\CCC3=CC=CC=C3C2=O 1 3.984 2 3 -1.24756573380537 765313 COC1=CC(=C(C=C1CN2CCCCCCC2)Br)OC 1 4.448 1 2 0.172672945443382 765306 C1=CC(=CN=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.022 3 3 -5.69999803732957 765305 C1CNC2=C(C=C(C=C2C1=O)Cl)Cl 1 2.641 1 1 0.767400140631777 765297 COC1=CC=C(C=C1)C=NN2C=C(N=C2N)C3=CC=C(C=C3)OC 1 3.277 4 2 9.36429437651296 765292 COC1=CC=C(C=C1)C=NN2C=C(N=C2N)C3=CC=CC=C3 1 3.294 4 1 9.71609690241531 765290 C1=CC=C(C=C1)C2=CN(C(=N2)N)N 1 0.967 4 0 0 7.39453107458473 765286 CC(=O)N(C1=NC(=CN1N=CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C 1 3.167 4 2 2.40391492927534 765284 COC1=CC=C(C=C1)N/C=C/2\CCC3=CC=CC=C3C2=O 1 3.587 1 2 0.444854375912074 765272 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CS2 1 2.948 2 3 -8.30242242700518 765269 COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CS2 1 3.07 0 4 -8.46841909938543 765266 CC1=CC(=NC(=C1)NC(=O)C2=CC=CS2)C 1 2.725 2 1 -4.54390924072241 765256 C1CCN(C1)C(=O)NC2=CC(=CC=C2)Cl 1 2.277 2 1 -2.29924619573902 765234 CCOC(=O)C1CCN(CC1)CC2=CC=C(C=C2)C3=CC=CC=C3 1 4.098 1 2 2.34241543788276 765231 CC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)Br 1 4.557 1 1 -3.31930937923472 765210 CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C 1 2.045 2 3 -9.41781696644406 765205 C1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3C(F)(F)F 1 4.386 2 0 4.00259359462878 765189 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2 1 3.573 2 1 5.72576959724944 765179 C1=CC(=CN=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br 1 2.539 1 3 -10.7203827117224 765166 CC1=CC(=CC=C1)N(CC(=O)O)CC(=O)O 1 1.441 1 4 0 -4.60192698284331 765100 C1CC1C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)O 1 3.679 2 2 -14.0517637455617 765098 CC1=CC(=C(C=C1)NC(=S)NCC2=CC=CC=C2)C 1 5.068 2 0 -9.48069760290186 765089 C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=CC=N3 1 1.549 5 2 0 4.07007616111508 765078 C1CSCCN1CC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.894 2 2 1.15856223843426 765070 CC1=CC(=CC=C1)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.517 3 2 0 -5.31389133484208 765057 COC1=CC=CC=C1N2CCN(CC2)CC3=CSC=C3 1 3.178 2 1 3.26809776893023 765042 C1CN(CCN1CC2=CC=CC=C2Cl)C3=CC=CC=C3 1 4.197 2 0 5.76827386530182 765038 COC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC=C3Cl 1 4.181 2 1 3.83561293682586 765015 CC1=C(C=CC(=C1C)OC)CN2CCSCC2 1 3.292 1 1 5.39641411937884 764996 C1CCC(CC1)(C(=O)N)S(=O)(=O)C2=CC=CC=C2 1 2.137 1 3 -5.0170061335265 764994 C1CN(C2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)OC(F)F 1 5.6 2 1 -8.83196724889262 764987 CC(=C)C(=O)OC1=CC=C(C=C1)N2C(=O)CCC2=O 1 1.901 1 4 0 -11.3524038939931 764982 C=C1CSC2=NC(=O)C3=C(N12)SC4=C3CCC4 1 3.017 2 1 -12.8674923843721 764959 C1CN2C=CC(=O)C=C2C(=O)N1 1 -0.859 2 2 0 -7.75768447207004 764949 CC1=C(C2=CC=CC=C2N1)CN3CCC4=CC=CC=C4C3 1 4 2 0 6.39632373323012e-002 764947 CC1=C(C=CC(=C1C)OC)CN2CCCCCC2 1 4.232 1 1 5.52544966734005 764944 COC1=CC=CC=C1CN2CCSCC2 1 2.319 1 1 -4.09792796329639e-002 764943 CCOC(=O)C1CCN(CC1)CC2=CC=C(C=C2)F 1 2.785 1 2 -0.108603938649679 764881 CC1=CC=CN2C1=NC(=C(C2=O)C=NCC3=CC=CC=C3)NC 1 1.875 4 1 0 -11.8934243958401 764857 C1CN(CCC1O)CC2=CC=CC3=CC=CC=C32 1 2.244 1 1 5.96512159889975 764835 COC1=C(C=CC(=C1)CN2CCC3=CC=CC=C3C2)O 1 3.303 1 2 -4.79169142642147e-002 764789 COC1=C(C=C(C=C1)CN2CCC3=CC=CC=C3C2)Br 1 4.293 1 1 -2.33886325936663 764785 C1CN(CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 4.455 2 2 5.03420543959333 764765 CC1=CC=CC=C1CC(=O)C2=C(C(=C(C=C2)O)C)O 1 3.757 0 3 4.38301781787739 764751 CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)C2=CC=CC=C2 1 2.681 1 3 -10.7477474127247 764749 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CC=C4)C#N)C=C1 1 1.954 5 1 0 -17.5262793502644 764746 CCOC(=O)NC1(OC2=CC=CC=C2O1)NC3=CC(=CC=C3)Cl 1 5.699 2 4 -2.96654174337398 764734 C=CCN1C(=O)C2=C(NC1=S)SC=C2C3=CC=CO3 1 3.459 2 2 -6.91703000701573 764729 CC1=C(C=C(C=C1)C2=NN3C(=NN=N3)C4=CC=CC=C42)C 1 2.981 5 0 -2.1181591913948 764722 C1CCN(C1)CC2=C(C(=O)C=C(O2)CO)O 1 -0.346 1 4 0 0.50513926028952 764708 C1CN(CCN1CC2=CC=CC=C2F)C3=NC=CC=N3 1 1.86 4 0 0 4.52381480839845 764701 C1COCCN1C2=NC3=CC=CC=C3C(=C2)C#N 1 1.664 3 1 0 -1.67861388788592 764693 C1CN(CCN1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)Cl 1 4.861 2 0 7.2038597465248 764686 C1COCCN1C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 1.716 2 3 0 -10.740322078266 764682 CCOC(=O)C1CCN(CC1)CC2=CC=CC=C2C 1 3.066 1 2 -2.71228857799963 764664 C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3)C4=NC=CC=N4 1 3.173 4 0 9.64142618685894 764662 C1CN(CCN1CC2=CC=C(C=C2)F)C3=NC=CC=N3 1 1.86 4 0 0 7.28780103685128 764647 C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.25 4 4 0 2.02536655055797 764640 C1CN(CCC1O)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.895 2 3 0 3.00413144413677 764638 CCOC(=O)C1CCN(CC1)CC2=CC=CC=C2C(F)(F)F 1 3.522 1 2 -1.9255349460601 764635 C1CN(CCN1CC2=CC=C(C=C2)O)C3=NC=CC=N3 1 1.413 4 1 0 8.45579812252517 764583 C1CCCN(CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 3.835 2 2 1.28759778639547 764592 CCN1C=C(C(=O)C2=C1C=CC(=C2)Br)C(=O)O 1 2.253 1 3 -9.16376557998699e-002 764610 C1CN(CCC1O)CC2=CC3=CC=CC=C3C=C2 1 2.244 1 1 6.22423369487998 764605 CC1=CC=CC=C1CN(C)C2CCN(CC2)C 1 2.5 2 0 3.35506203191416 764599 C1CCN(CC1)C2=CC=C(C=C2)C(=O)O 1 2.539 1 2 -1.05522324840913 764598 COC1=C(C=C(C=C1)CN2CCCCCC2)Br 1 4.008 1 1 2.37677594442777 764595 COC1=CC=CC=C1NC(=O)C2=CC=CS2 1 2.551 1 2 -8.21138819405683 764569 CC1=CC=CN2C1=NC(=C(C2=O)C=NO)N3CCCCC3 1 1.552 4 2 0 -7.68833767101683 764554 CC1=CC=CN2C1=NC(=C(C2=O)C=NO)N3CCOCC3 1 0.322 4 3 0 -9.2774237937296 764536 C1CCCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-] 1 3.171 2 2 1.08576840476428 764525 CC1=C(C(=CC=C1)C)OCC(=O)NN=CC2=CN=CC=C2 1 2.34 3 2 -7.44912373141514 764502 C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)C3=NC=C(C=C3)Cl 1 2.386 3 4 0 -2.21692268635852 764494 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C 1 2.4e-002 3 3 0 -17.5283507583711 764469 CN1C2=CC=CC=C2N(C1=O)CCOC3=CC=C(C=C3)[N+](=O)[O-] 1 2.631 3 4 0 -7.23640180660813 764455 CCOC1=C(C=CC(=C1)CN2CCCCCC2)OC 1 3.593 1 2 -2.43018772885841 764449 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C=N3)C(C)(C)C 1 3.456 3 2 -2.32784227225285 764435 CCOC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C(=N3)C)C 1 3.536 3 1 0.905362536820404 764432 C1CN(CCN1CC2=CN=CC=C2)C3=CC=CC(=C3)C(F)(F)F 1 3.324 3 0 10.747961789776 764426 CCOC(=O)C1CCN(CC1)CC2=CC(=C(C=C2)F)F 1 2.99 1 2 -0.113888266074559 764416 CC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.822 3 3 0 -8.08048193006542 764412 CC(C)C1=NC=C(N1C)C(=O)C2=CC=C(C=C2)OC 1 2.992 2 2 -3.77785747503389 764406 C1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.772 1 2 -10.9979364855047 764400 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)F 1 3.179 2 2 -9.11563562316569 764378 CC1=CC=CC(=C1[N+](=O)[O-])C2=NNC(=S)N2C3=CC=C(C=C3)OC 1 4.042 4 3 0 -3.05160075761181 764374 CC1=CC=CC(=C1[N+](=O)[O-])C2=NNC(=S)N2C3=CC=CC=C3 1 4.059 4 2 -2.99733197013468 764372 C1CCC(CC1)N2C(=NNC2=S)COC3=CC=C(C=C3)Cl 1 4.46 3 1 -5.11181585946608 764370 C1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)Cl 1 4.178 3 1 -2.87195266703136 764367 CN1CCCN(CC1)CC2=C(C=C(C=C2)Cl)Cl 1 3.252 2 0 8.03920683108058 764366 COC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=CC=C3 1 3.497 3 2 -5.35344039830712 764365 CC1=CC(=CC=C1)OCC2=NNC(=S)N2C3=CC=C(C=C3)OC 1 3.983 3 2 -3.77336359719953 764363 C1CN(CCC1O)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.895 2 3 0 2.25481875443556 764357 C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)Cl 1 5.253 3 0 -4.96477008417463 764356 COC1=C(C=C(C(=C1)CN2CCCCCC2)[N+](=O)[O-])OC 1 3.138 2 4 -2.82536980319315 764355 CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3 1 5.075 3 0 -6.78676877476145 764353 C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3 1 4.589 3 0 -7.23645437518304 764351 CC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=CC=C3 1 5.163 3 0 -6.50641318489067 764346 CC1=CC=CC=C1N2C(=NNC2=S)C3=CC(=C(C=C3)OC)OC 1 4.131 3 2 -7.33892016836997 764344 CC1=CC=CC=C1N2C(=NNC2=S)C3=CC=C(C=C3)OC 1 4.148 3 1 -3.67205042176243 764339 C=CCN1C(=NNC1=S)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.613 4 2 -9.39844091296763 764336 C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O 1 3.501 3 2 -14.8943188226982 764335 CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=CC(=C3)C 1 4.486 3 1 -3.80542397700832 764333 CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=CC=C3 1 4 3 1 -4.92088217444475 764331 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=NC=C3 1 3.014 4 0 -2.85184954196528 764330 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl 1 5.493 3 0 -0.481876460169373 764328 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)Cl 1 4.829 3 0 -0.372657425936103 764326 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=C(C=C3)OC)OC 1 4.131 3 2 -6.2744920722746 764325 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)OC 1 4.148 3 1 -2.60762232566706 764313 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 1.865 1 4 0 -6.22396375759439 764311 COC1=C(C=C(C=C1)Br)CN2CCCCCC2 1 4.008 1 1 1.35133239634302 764310 CC(C)C1=CC=C(C=C1)C=NN2C=NN=C2 1 2.239 4 0 1.07234955452262 764308 CCOC(=O)C1CCN(CC1)CC2=CC(=CC=C2)OC 1 2.563 1 3 -1.29628877510933 764299 C1=CC=C(C=C1)CN2C3=CC=CC=C3NC2=S 1 4.473 2 0 -1.66253735662575 764277 C1=CC=C2C(=C1)C(=CN2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.871 4 3 0 -4.10678630102556 764271 C1CSC2=NC(=CN21)C3=CC=C(C=C3)Br 1 3.52 2 0 4.25999092459762 764266 C1=CC2=NC(=CN2C=C1)C3=CC(=C(C=C3)O)O 1 2.033 2 2 7.3155773674816 764249 COC1=C(C2=C(C=C1)C(=O)N(C2=O)C3=CC=CC=C3)OC 1 2.406 1 4 -9.72696708262516 764241 CC1=C(C=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C)C 1 0.872 2 4 0 -14.9390362821374 764239 CC1=C(C=C(C=C1)N(CC(=O)N2CCCC2)S(=O)(=O)C)C 1 1.646 2 3 0 -13.0162713181937 764236 CCOC1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 2.91 3 4 0 -7.30241258211369 764226 C1=CC=C(C(=C1)CSC2=NC3=C(N2)C=CC=N3)F 1 3.262 3 0 -6.24693479316013 764219 C1CN(CCN1CC2=CC=CC=C2Cl)C3=CC=CC=C3Cl 1 4.861 2 0 5.77440876303757 764215 CC1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3C)N(C2=O)C 1 1.969 4 2 0 -6.98034966413887 764213 C1=CN=C(N=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 0.811 3 4 0 -8.05625544979447 764206 CCOC1=CC=C(C=C1)N2C=NC3=C(C2=O)C(=C(S3)C)C 1 3.283 2 2 -8.16380215372301 764201 CC1=CC(=CC=C1)NC(=O)CSC2=CC=CC3=C2N=CC=C3 1 3.68 2 1 -6.8031837981174 764200 CC1=CC(=NC(=C1C(=O)N)NC2=CC(=CC=C2)Cl)C 1 3.204 3 1 0.553312162097503 764198 COC1=CC=C(C2=CC=CC=C21)/C=C/C3=CC=NC=C3 1 3.557 1 1 5.24342870440113 764196 COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.485 5 2 0 -16.104543725895 764191 CC1=C(C=CC=C1Cl)NC(=O)C2=CC=CO2 1 3.16 1 2 -1.88993240883608 764185 C1CN(CCN1CC2=CC=CO2)C3=CC=C(C=C3)Cl 1 3.379 2 1 6.75839792494088 764175 CCOC(=O)C1=CN=C2C(=C(NN2C1=O)C3=CC=CC=C3)C 1 1.16 3 3 0 -6.12349212748031 764165 CC1=CC(=O)N2C(=N1)C=C(N2)C3=CC(=CC=C3)Cl 1 1.728 3 1 0 1.89660472094933 764149 CC1=C(N=C(S1)NN=C(C)C)C2=CC=CC=C2 1 2.207 3 0 -1.4995766196687 764138 CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC)C 1 4.472 2 2 5.53194254037924 764129 C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC(=C2)C(=O)O 1 2.712 1 3 -5.82253025087675 764115 C1C2(COC(O1)C3=CN=CC=C3)COC(OC2)C4=CN=CC=C4 1 0.371 2 4 0 -1.44645172975933 764061 CNC(=O)N(C1=NCCCCC1)C2=CC=C(C=C2)Br 1 3.113 3 1 -5.79102185924489 764058 CC(C)(C)C1=NN=C(N(C1=O)N=CC2=CC=CC=C2)SC 1 3.949 4 1 -4.41457764079097 764056 CCOC1=CC=C(C=C1)C=NN2C(=O)C(=NN=C2SC)C(C)(C)C 1 4.281 4 2 -5.42182318455878 764052 CC(C)(C)C1=NN=C(N(C1=O)N=CC2=CC=C(C=C2)OC)SC 1 3.933 4 2 -4.65560003285076 764051 CC1=CC(=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 4.16 2 1 -4.41294027553322 764047 COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=CC=CC=C3OC 1 3.483 2 3 2.90671129166324 764044 C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 3.674 2 1 -6.38842083350168 764040 COC1=CC=C(C=C1)/C=C/C(=O)NCC2=CN=CC=C2 1 1.922 2 2 0 -8.27520088301714 764039 CCOC(=O)C1CCN(CC1)CC2=CC(=C(C=C2)F)Br 1 3.533 1 2 -1.42216198470951 764036 C1=CC(=CN=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)O 1 0.803 2 4 0 -7.16333186852783 764034 CCOC(=O)/C(=C/C1=CC=C(C=C1)N2CCN(CC2)C)/C#N 1 2.46 3 2 -4.22114183515067 764033 CCN1CCN(CC1)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C 1 4.768 2 1 2.91728237145722 764011 C1COC2=C(O1)C=CC(=C2)CC(=O)C3=C(C=C(C=C3O)O)O 1 2.328 0 6 1.00501363302739 764010 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=NC=C3)C(=O)N 1 1.636 3 2 0 -12.0657647028772 763998 CCOC(=O)C1CCN(CC1)CC2=CC=C(C=C2)N(C)C 1 2.742 2 2 -3.48176734272759 763992 C1COCCN1C(=S)SCC(=O)C2=CC=CC=C2 1 3.148 1 2 -7.99519898664486 763991 C1=CC(=C(C=C1O)O)C(=O)CC2=NOC=C2 1 1.667 1 4 0 2.49757488551355 763989 CC1=CC(=C(C(=C1)O)C(=O)CC2=CSC(=N2)C)O 1 2.416 1 3 0.677619155882272 763978 C1CCCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-] 1 3.171 2 2 -0.203406511979503 763967 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F 1 3.506 2 2 5.99043217831122 763960 C1=CC(=C(C=C1Cl)Cl)C(=O)NC2=NC(=S)SS2 1 5.292 2 1 -3.16264138013743 763944 CC(=O)NC1=NC2=CC=CC=C2N1CCOC3=CC=CC=C3 1 2.845 3 2 -7.20269388500792 763921 CN1C2=CC=CC=C2N=C1CNC3=CC=CC=C3 1 3.136 3 0 0.625088495937101 763911 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.321 1 4 -9.27158049212662 763908 COC1=CC=CC(=C1)CN2CCSCC2 1 2.319 1 1 2.91572994744458 763902 COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCC2=CC=CO2 1 1.587 1 6 0 -7.54974584044563 763900 C1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=C(C=C3)Cl 1 3.753 4 0 3.69192993527631 763882 CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=CC=N3 1 2.909 3 1 6.61045061630217 763880 C1=CC=C(C=C1)C2=NC(=NO2)C3=CC=CC=N3 1 2.423 3 1 5.96752120297456 763864 CC1=CC=C(C=C1)C2=NC(=NO2)C3=CN=CC=C3 1 2.48 3 1 4.95906724295992 763855 CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3 1 2.48 3 1 7.50177116729871 763854 C1=CC=C2C(=C1)C=CC=C2CC(=O)NN=CC3=CC=C(C=C3)F 1 3.832 2 1 -3.36220420692255 763852 C1=CC=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3 1 1.994 3 1 0 7.02725475098351 763848 C1=CC=C2C(=C1)C=CC=C2CC(=O)NN=CC3=CC=CS3 1 3.579 2 1 -5.51636518973597 763838 CC1=CC(=C(C=C1)OCC(=O)NN=CC2=CC=CN2C)[N+](=O)[O-] 1 2.49 4 4 0 -9.93216102353341 763828 CN1C=CC=C1C=NNC(=O)CNC2=CC=CC3=CC=CC=C32 1 2.843 4 1 -10.1927614415033 763827 CC1=C(C=CC=C1NC(=O)C(C)C)C2=NC3=C(O2)C=CC=N3 1 3.061 3 2 -2.88339890579622 763803 COC(=O)C1=CC=CC=C1C2=CC=C(O2)C=O 1 2.649 0 4 -3.33939917582611 763786 CC1=CC=C(C=C1)N2CN=C(NC2=S)C3=CC=CC=C3 1 4.667 3 0 -4.83296537306171 763778 CC1(C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C 1 2.317 3 4 0 -12.4743135508261 763775 CC1=CC(=C(C=C1)CN2C3=CC=CC=C3N(C(C2=O)(C)C)C(=O)C)C 1 3.52 2 2 -2.88006691774705 763771 CC(=O)N1C2=CC=CC=C2NC(=O)C1(C)C 1 0.758 2 2 0 -7.94051685198834 763769 CC1(C(=O)N(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)C 1 2.523 3 4 0 -10.2218477928881 763764 C1COCCN1C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.029 3 4 0 -15.6616476415641 763761 CC1(C(=O)N(C2=CC=CC=C2N1)CC3=CC=C(C=C3)[N+](=O)[O-])C 1 2.924 3 3 -7.08224950464514 763760 CC1=CC(=CC=C1)CN2CCN(CC2)C3=CC=C(C=C3)Cl 1 4.683 2 0 9.75110944749658 763759 C1=CC=C(C=C1)CN2C(=NN=N2)C3=CC=CO3 1 2.044 4 1 -9.73849295161306 763728 C1CN(CCN1CC2=CSC=C2)C3=CC=CC=N3 1 2.583 3 0 4.35036400370127 763716 C=C1CSC2=NC(=O)C3=C(N12)SC4=C3CCCC4 1 3.474 2 1 -13.1763025052568 763709 C1=CC=C(C(=C1)/C=C\2/C(=O)C3=CC=CC=C3OC2=O)O 1 3.022 0 4 3.39528913530265 763703 COC1=CC=CC=C1N2CCN(CC2)CC3=CC=CS3 1 3.256 2 1 2.17276160084793 763700 CCOC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C=N3)C 1 3.276 3 1 -0.888862915920899 763669 CC1=NC2=C(N1C)C=CC(=C2)NCC3=CC(=C(C=C3)OC)OC 1 3.171 3 2 -2.77016664646579 763666 CC1=NC2=C(N1C)C=CC(=C2)NCC3=CC=C(C=C3)Cl 1 3.868 3 0 3.90655058825938 763664 CCOC1=CC=C(C=C1)CN2CCCN(CC2)C 1 2.255 2 1 5.21343303808616 763660 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=NNC(=O)C=C2 1 0.74 4 4 0 -13.5306208095222 763655 CCCC(=O)C1=C(C=C(OC1=O)C)NC(C)C 1 1.612 1 3 0 -14.8693635860035 763651 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O 1 1.037 1 4 0 -15.5403800245171 763650 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CO3 1 1.837 2 4 0 -23.4227004290507 763648 COC1=C(C=C(C=C1)/C=C/C(=O)NCCN2CCOCC2)OC 1 1.299 2 4 0 -13.0801217075357 763645 C1=CC(=CN=C1)NS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O 1 1.264 2 4 0 -3.45221625422061 763644 COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3F)O 1 3.48 2 2 10.3995064346704 763618 CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OC(=O)C 1 3.587 0 4 -6.29174845273607 763606 CN1CCN(CC1)CC2=CC=CC=C2C(F)(F)F 1 2.803 2 0 4.48093736345489 763595 COC1=CC=C(C=C1)CN2CCCCCC2 1 3.26 1 1 3.17865004589109 763581 CC(=O)NC1=CC2=C(C=C(C=C2)OC(=O)C)OC1=O 1 0.492 1 5 0 -9.28179265153841 763579 CC(=O)NC1=CC2=C(C(=CC=C2)CC=C)OC1=O 1 1.732 1 3 0 -8.93384260981456 763570 CC1=NC2=CC=CC=C2N1CCC3=CC=CC=C3 1 3.716 2 0 -3.0160364877385 763564 C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(S3)[N+](=O)[O-] 1 2.874 2 3 -8.04901349062505 763552 COC1=CC=CC=C1NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.549 2 3 -10.7180354542391 763549 C1=CC=C2C(=C1)C=CN3C2=NC(=C3)C4=CC=CS4 1 3.379 2 0 -0.616287684090592 763537 CSC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2CCCCC2 1 3.745 2 1 -9.85801499480979 763526 C1CN\2CCC1C(=O)/C2=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 1.999 2 3 0 -2.44602565367867 763524 CC1=C(C=CC(=C1)CCCC(=O)NC2=CC=C(C=C2)OC)OC 1 4.015 1 3 -5.05391403399917 763503 C1CN=C(C=C(N1)C(F)(F)F)C2=CC=C(C=C2)Cl 1 3.104 2 0 4.1337228061409 763501 C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CO3 1 2.689 4 1 -6.82480361830708 763499 COC1=CC=C(C=C1)CCCC(=O)NN=CC2=CC=CS2 1 3.567 2 2 -8.76887747491072 763493 CC1(CC(=CC(=O)C1)NC2=CC(=C(C=C2)OC)OC)C 1 2.67 1 3 -17.8435072669164 763483 CC(=O)NC1=CC(=CC(=C1)C2=NC3=CC=CC=C3N2)NC(=O)C 1 1.511 4 2 0 -0.559130913272513 763472 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)OC 1 2.998 2 3 -10.9750644567149 763463 C1=COC(=C1)/C=C/C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O 1 2.771 1 4 -3.31108589165506 763461 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2=CC=CO2 1 1.217 2 6 0 -8.90047417239035 763455 CN1C(=O)C2=C(C1=O)C=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O 1 1.594 1 6 0 -16.3144654182075 763449 CCN1CCN(CC1)CC2=CN=CC=C2 1 1.059 3 0 0 1.47856036980908 763448 C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 3.45 3 2 1.47559868246986 763443 CC(C)C(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2 1 3.53 2 2 2.377313084735 763436 COC1=CC=C(C=C1)CC(=O)N2CCOCC2 1 0.95 1 3 0 -9.77101058205299 763432 C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC(=CC=C4)N 1 3.928 3 1 4.79057649977601 763430 C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CN=CC=C3 1 1.182 3 4 0 -11.7193553754878 763427 C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=CO3 1 2.747 2 3 -5.99491011609084 763417 C1CN(CCN1CC2=CC(=CC=C2)F)C3=NC=CC=N3 1 1.86 4 0 0 7.92130885559628 763408 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CN=CC=C2 1 0.356 4 3 0 -5.39195712719704 763397 CC(C)OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC 1 3.004 1 5 -14.9861630872999 763396 CN1CCCN(CC1)CC2=CC=C(C=C2)SC 1 2.465 2 0 8.59773933940814 763378 C1CCN(C1)C(=S)SCC(=O)C2=CC=CC=C2 1 3.921 1 1 -6.07243402270119 763330 COC1=CC=CC(=C1OC)CN2CCSCC2 1 2.303 1 2 0.942308338510908 763323 CC1=NN=C(S1)SCC(=O)NC2=CC(=CC=C2)OC 1 1.726 3 2 0 -16.567934062314 763322 CC1=CC(=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3)C 1 2.627 4 0 6.27873791401923 763319 C=CCN1C(=O)C2=C(N=C1SCC(=O)N)SC3=C2CCC3 1 2.42 3 2 -31.5245047442357 763295 CC1=C(C=CC(=C1)CN2CCSCC2)OC 1 2.805 1 1 4.06992550024823 763280 CC1=NC(=C2C3=C(CCCC3)SC2=N1)NCC4=CN=CC=C4 1 3.231 4 0 -9.72166608148959 763275 CCC1=CC2=C(S1)N=CN=C2SCC(=O)C3=CC=CS3 1 4.214 2 1 -10.8079173508861 763266 CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3=CC=C(C=C3)OC)C(=O)C 1 2.592 2 3 -6.65441793494136 763262 CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3=CC=CC=C3OC)C(=O)C 1 2.592 2 3 -9.41612721384125 763257 CCC(=O)N(CC1=CC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)OC 1 2.773 2 3 -8.70993204437583 763251 CC1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3NC2=O)C(=O)C 1 2.608 2 2 -7.0030762822163 763240 C1CCN(C1)CC2=C(C3=CC=CC=C3OC2=O)N4CCCC4 1 2.626 2 2 -2.72647052396734 763232 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2 1 0.581 3 3 0 -11.5988343329272 763228 CCC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)OC 1 1.635 2 4 0 -22.8116278594556 763226 CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)OC 1 0.968 2 4 0 -23.2110305682695 763224 C1=CSC(=C1)C2=NC3=C(N2)C=C(C=C3)N 1 2.477 3 0 4.93044087673064 763213 C1CCCN(CC1)CC2=CC=C(S2)[N+](=O)[O-] 1 3.035 2 2 6.45247206040794 763210 CC(=O)NC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2 1 1.643 3 2 0 -5.64939794450456 763193 CC1=NN=C(S1)SCC(=O)NCC2=CC=C(C=C2)OC 1 1.733 3 2 0 -20.7997030823512 763191 CN1CCCN(CC1)CC2=CC(=C(C=C2OC)OC)Br 1 2.638 2 2 2.97367908934648 763185 CN1CCCN(CC1)CC2=CC=CC3=CC=CC=C32 1 2.831 2 0 7.79890677476275 763171 C1CN(CCN1CC2=CC=CC=C2F)C3=CC=C(C=C3)Cl 1 4.402 2 0 6.96621621307491 763140 COC1=CC(=C(C=C1)NC(=S)NCC2=CN=CC=C2)OC 1 2.912 3 2 -12.9951093057336 763137 C1CCC(=NNC(=O)C2=CC=NN2)C1 1 0.687 4 1 0 -8.14148090940511 763095 C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.781 1 2 -4.8559323425302 763094 CN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.474 3 2 -0.863190267363547 763059 CC1=C(C=CC(=C1)C(=O)NC2=CC=NC=C2)[N+](=O)[O-] 1 1.844 3 3 0 -8.92930883155024 763058 C1=CC=C(C=C1)CCC2=NC3=C(N2)C=C(C=C3)N 1 3.015 3 0 1.01506494100377 763048 CC(C)(C)OC(=O)NN=CC1=CC=C(C=C1)Br 1 3.341 2 2 -6.96165347443488 763046 CC(=NNC(=O)C1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)NC=C3 1 3.621 3 1 -3.68051000113316 763045 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=NC=C3 1 2.472 3 3 -1.43467419521708 763035 CCOC(=O)C1=CC2=C(C=C1)NC(=NC2=O)C(F)(F)F 1 2.121 2 3 -10.1332509487982 763016 C1OC2=C(O1)C=C(C=C2)CNC3=CC=C(C=C3)C(=O)O 1 2.62 1 4 -5.31381288036187 763011 COC1=C(C=C(C=C1)Br)CN2CCSCC2 1 3.068 1 1 1.22229684838181 763006 C1=CC2=NC=C(C(=O)N2C=C1)NC(=O)C3=CC=C(C=C3)F 1 0.455 3 2 0 -11.0722377900262 763004 CSC1=CC=C(C=C1)CN2CCC(CC2)O 1 1.878 1 1 0 6.76395416354514 762995 CC1=CC(=NN1C2=CC(=NC=N2)N3C(=CC(=N3)C)C)C 1 2.438 6 0 -3.27797858611781 762984 CCOC(=O)C1=CC2=C(NC(=C2C=C(C1=O)C(=O)OCC)C)C 1 2.043 1 5 -4.14844902178376 762972 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2F 1 1.94 2 2 0 -8.67240251915867 762960 C1COCCOCCOCCN1CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.223 2 5 0 -1.67812238074204 762947 CC1=C(C(=CC=C1)C)NC(=O)CNC2=CC(=CC(=C2)C)C 1 4.219 2 1 -8.35340251166476 762937 C1=CN=C(N=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 1.915 4 3 0 -4.933971735081 762933 CC1=NC(=CC=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.844 3 3 -1.98575673534507 762927 C1=CC=C2C(=C1)C(=O)N(C=N2)C3=C(C=C(C=C3)Cl)Cl 1 3.861 2 1 -1.39795571035759 762910 CN1CCCN(CC1)CC2=CC=CC=C2C(F)(F)F 1 2.865 2 0 5.28756841699316 762907 C1CCC(CC1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 3.627 3 2 -0.401592377785135 762900 C1CSCCN1CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.23 2 2 0.956732856803076 762890 C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N)NC(=O)C3=CC=C(C=C3)N 1 1.906 4 2 0 -4.00037692267121 762871 CNS(=O)(=O)C1=CC=CC2=CC(=CC(=C21)O)S(=O)(=O)NC 1 0.318 2 5 0 -7.00500237809533 762854 CC(=O)NC1=CC=CC2=C1C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C 1 1.327 2 5 0 -13.662901516132 762850 COC1=CC=CC=C1NC(=O)C2=CC=CC=C2C(=O)O 1 2.228 1 4 -9.52082566152745 762833 CCOC1=C2C(=C(C=C1)OCC)SC(=N2)C 1 2.839 1 2 -3.07228865086935 762831 CC1=NC2=C(S1)C=C(C=C2)N 1 1.427 2 0 0 3.32760448594354 762790 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CO2 1 1.752 2 3 0 -5.00769923984659 762785 CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2 1 2.401 2 2 5.48292127086245 762773 CC1=CC=CC=C1NC(=O)CC2=CNC3=CC=CC=C32 1 3.429 2 1 -9.08990384746393 762771 CC1=CC=C(C=C1)NCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.275 2 3 -6.27705528226593 762766 CC1=NC2=CC=CC=C2N1CC(=O)NN 1 0.174 4 1 0 -3.96259609356749 762765 CC1=NC2=C(N1CCO)C=CC(=C2)Cl 1 1.937 2 1 0 2.07851933618867 762763 CC1=NN(C=C1)C2=NNC(=C2[N+](=O)[O-])C 1 1.362 5 2 0 -2.48192867583392 762757 C1=CC2=C(C(=C1)NNC(=S)N)N=CC=C2 1 1.939 4 0 0 -3.30738443575408 762748 C1CCCC(CCC1)NC(=O)C2=CC=C(O2)Br 1 3.772 1 2 -7.40169163815421 762744 COC1=CC=CC(=C1)NC(=O)C2=CC=NC=C2 1 1.447 2 2 0 -4.91561804151531 762741 CN(CC1=CC=CC=C1)C(=O)C2=CN=CC=C2 1 1.676 2 1 0 -6.15871226295226 762736 CC1=[N+](C2=C(C=C1)C(=CC(=C2O)C)C)[O-] 1 2.185 1 2 2.49695222502406 762734 C1CCN(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.223 1 1 -1.31963110062551 762710 C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=C(C=C3)Cl)Cl 1 4.569 2 0 8.48125740850716 762708 COC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CO3)C4=CC=CO4 1 3.962 2 3 4.72893659512222 762691 COC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.28 3 2 -7.15011567278047 762678 CN(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)Br 1 3.288 2 1 -4.01642697136505 762677 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.382 1 2 -9.85939817834113 762676 CCC1=CC2=C(S1)N=CN=C2SCC(=O)O 1 2.486 2 2 -11.7738620014871 762675 CC1=CSC2=NC(=O)C(=NN12)C3=CC=CC=C3N 1 1.42 4 1 0 -8.88053507768828 762672 C1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)Br 1 2.584 1 2 -8.87508474992874 762667 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(O3)Br 1 3.314 1 2 -9.159604285787 762666 CCOC(=O)C1=C(C=C(C=C1O)C)NC2=CC=CC=C2 1 3.828 1 3 -0.4384098970671 762661 CCOC(=O)N1CCN(CC1)C(=O)CC2=CC=CS2 1 1.441 2 3 0 -10.4032602045606 762657 CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC(=O)C 1 1.956 0 6 0 -5.74218152994186 762653 COC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.153 4 2 -5.7187865690263 762646 C1CCC2=C(C1)C3=C(N2)C(=CC=C3)[N+](=O)[O-] 1 3.401 2 2 2.99998768169305 762642 C1CN(CCN1C2=CC=CC=N2)C(=O)CC3=CC=CS3 1 2.25 3 1 -7.06144536286434 762638 CCCC(=O)NC1=C(C2(CCCC2)CC3=CC=CC=C31)C#N 1 3.684 2 1 -13.0734686212997 762635 CC12CN3CC(C1=O)(CN(C2)C3C4=C(C5=CC=CC=C5C=C4)O)C 1 2.966 2 2 -1.72638865469802 762633 CC12CN3CC(C1=O)(CN(C2)C3C4=CC=CO4)C 1 1.7 2 2 0 -8.69644426813961 762630 C1C2(CN3CN1CN(C2)C3)C(=O)C4=CC=NC=C4 1 0.13 4 1 0 -5.16693851093735 762623 CC1=C(C(=CC=C1)C(C)(C)C)OCCN2C=CN=C2 1 3.441 2 1 2.5977615420159 762621 C=CCC1=CC=CC=C1OCCN2C=CN=C2 1 2.563 2 1 -1.86477989926347 762613 C1CCN(CC1)CCNC2=C(C(=O)OC3=CC=CC=C32)N 1 0.994 3 2 0 -2.30166064300116 762594 C1CN(C2=CC=CC=C21)C(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.309 2 4 -9.23328167879809 762587 C1=CC(=CC=C1SCCN2C=CN=C2)Cl 1 2.777 2 0 5.10906832983921 762583 C1=CC(=C(C=C1NC(=O)CCCC(=O)O)Cl)Cl 1 2.58 1 3 -10.6905928705676 762582 CC(C)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)OC)N 1 2.917 2 3 -6.87942360004354 762581 C1=CC=C(C(=C1)NC(=O)CCCC(=O)O)Br 1 2 1 3 0 -13.7909225966877 762571 COC1=CC=CC=C1CC2=NC(=NO2)C3=CN=CC=C3 1 2.012 3 2 -1.15865200304706 762570 C1=CC2=C(C=C1N)NC(=N2)C3=CC(=C(C(=C3)Cl)N)Cl 1 3.106 4 0 6.13843104175724 762564 CC1=CC(=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C=N2)C 1 3.663 2 2 0.762749226639796 762553 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C(=O)NC3=CN=CC=C3 1 1.643 3 3 0 -6.64856232898505 762544 C1=CC(=CC=C1C2=NC3=C(N2)C=CC(=C3Cl)N)N 1 2.441 4 0 9.46259509941598 762542 CC(=O)N1C2=CC=CC=C2C3=C1C4=CC=CC=C4N3C 1 4.104 2 1 0.538014819909869 762535 C1=CC(=CN=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl 1 2.792 2 1 -3.36611912295998 762523 C1CC2=C(C(=O)C1)SC3=C(N2)C=C(C=C3)Cl 1 2.902 1 1 -7.92877835602372 762521 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COCC(=O)O 1 0.41 2 5 0 -5.55953201676803 762519 CC1=C(SC2=C1C(=O)OC(=N2)C3=CC(=C(C(=C3)OC)OC)OC)C 1 3.509 1 5 -10.1116239741704 762514 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4 1 2.625 2 4 -2.9493016196058 762508 CC1=C(C2=C(N1C3=CC=CC=C3OC)C=CC(=C2)OC)C(=O)C 1 3.758 1 3 -4.46567193546397 762507 COC1=CC=CC=C1NC(=O)NC(=O)N 1 0.503 3 3 0 -6.33691374467646 762506 CCN(CC)C(=O)C1=CC2=C(S1)C3=CC=CC=C3S2 1 4.248 1 1 -3.43002808644568 762489 CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CC(C)C 1 3.787 1 3 -13.9645040422111 762484 CC1=C(C2=C(N1CCC3=CC=CC=C3)C=CC(=C2)OC)C(=O)C 1 4.103 1 2 -4.89474319866286 762466 CC(C)(C)C(=O)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)O 1 3.722 1 3 -9.16817255592033 762465 CN(C)/C=C\1/C=C(OC1=O)C2=CC=CC=C2 1 1.573 1 2 0 -2.50815250820319 762463 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3 1 2.568 2 2 -8.61575291107609 762462 CN(C)/C=C/1\C=C(OC1=O)C2=CC=CC=C2 1 1.573 1 2 0 -2.50815250820319 762456 CC1=CC(=NC2=C1C=C(C=C2)O)OC3=CC=CC=C3 1 4.359 1 2 8.40841168787614 762441 C1CCC(CC1)(C(=NO)CCC2=CC=CC=C2)O 1 3.374 1 2 4.53025546014366 762416 COC1=CC=C(C=C1)/C=C\2/CCOC2=O 1 2.171 0 3 -1.41000668390673 762415 COC1=CC=C(C=C1)/C=C/2\CCOC2=O 1 2.171 0 3 -1.41000668390673 762413 C\1COC(=O)/C1=C/C2=CC=CC=C2O 1 1.946 0 3 0 3.56438318942945 762378 C1CC/C(=C(/C#N)\C(=O)C2=CC=CC=C2)/NCC1 1 2.566 2 1 -12.5680741414505 762361 CC1=CC=CC(=C1)C(=O)NNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.955 3 5 0 -13.0925950569008 762359 CC(C)OC1=CC=C(C=C1)C(=O)NCC2=CC=CO2 1 2.513 1 3 -10.6979423993152 762331 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)N 1 -0.354 3 3 0 -4.94680350937616 762330 CCOC(=O)/C(=C(/C)\C1=CC=C(C=C1)OC)/C#N 1 2.771 1 3 -8.35528467202824 762250 CC(=O)/C=C/1\N(C(=CS1)C2=CC=C(C=C2)OC)C3=CC=CC=C3 1 3.899 1 2 0.302502581469293 762228 CC1=CC(=NN1CC(=O)N(C)C2=CC=CC=C2)C(F)(F)F 1 2.838 3 1 -7.47044579424482 762224 CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)F)SC 1 2.975 3 2 -0.299519430283488 762207 C1CCC(CC1)NC(=O)NC2=NC3=CC=CC=C3S2 1 3.43 3 1 -4.2810792809703 762206 CCN1C(=NN=C1SCC(=O)O)CC2=CC=CC=C2 1 2.273 3 2 -15.512223356736 762168 CC1=C(C(=O)NC(=O)N1)CC2=CC=CC3=CC=CC=C32 1 2.345 2 2 -10.3526147925148 762145 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C)[N+](=O)[O-] 1 1.581 3 3 0 -5.48667765941488 762122 CC1=CC=C(N1C2=CC=C(C=C2)N(C)C)C 1 3.159 2 0 -3.72748538164452 762095 CC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)NC(=O)C 1 2.734 3 1 -1.45144537515716 762086 CCOC(=O)C1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32 1 2.702 2 3 -12.0528536561981 762085 CC1=CC(=NC=C1)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 2.491 2 3 -8.2845016459023 762064 CC(C)NC(=O)C1=CC=C(C=C1)N(CC2=CC=CC=C2)S(=O)(=O)C 1 2.464 2 3 -19.4963934062316 762057 CC(=O)OC1=CC=C(C=C1)C=NNC(=O)CCSC2=CC=CC=C2 1 3.092 2 3 -8.74434046660713 762056 COC1=CC=CC=C1C=NNC(=O)CCSC2=CC=CC=C2 1 3.308 2 2 -6.80345477457337 762054 CC1=CC=C(C=C1)C=NNC(=O)CCSC2=CC=CC=C2 1 3.811 2 1 -6.5970711649109 762043 C1C(CS1)OC2=CC=CC(=C2)C=NNC(=O)C3=CC=CC=C3O 1 2.886 2 3 -2.38989141687518 762028 C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)CSC2=NC=CC=N2 1 1.713 5 3 0 -11.6193549342401 762021 C1=CC=C(C(=C1)C=NNC(=O)CSC2=NC=CC=N2)[N+](=O)[O-] 1 1.713 5 3 0 -10.6819782422964 762014 CC1=CC=CC2=CC(=C(N=C12)Cl)C=NNC(=O)CN3CCCCC3 1 3.488 4 1 -1.29493970105231 762013 CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NNC(=O)CN3CCCCC3 1 3.488 4 1 0.703508100131726 762012 CC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)CN3CCCCC3)Cl 1 3.488 4 1 0.523818970689096 762011 C1CCN(CC1)CC(=O)NN=CC2=CC3=CC=CC=C3N=C2Cl 1 3.002 4 1 -0.49415246152933 762000 C1CCCC(=NNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])CC1 1 3.159 3 3 -14.8159601739545 761998 CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NNC(=O)CN3CCOCC3 1 2.259 4 2 -1.69509811078036 761997 CC1=CC=CC2=CC(=C(N=C12)Cl)C=NNC(=O)CN3CCOCC3 1 2.259 4 2 -3.6935459119644 761994 C1COCCN1CC(=O)NN=CC2=CC3=CC=CC=C3N=C2Cl 1 1.772 4 2 0 -2.89275867244141 761950 CCC1=C(N=C2C=C(NN2C1=O)C3=CC=C(C=C3)Cl)C 1 2.63 3 1 -1.52450877713824 761949 CC1=C(C=NC2=CC(=NN12)C3=CC(=CC=C3)Br)C(=O)C 1 2.82 3 1 -1.24096766387482 761947 CC1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2)C)C 1 3.101 3 0 -4.33416775212604 761946 COCC1=CC(=O)N2C(=N1)C=C(N2)C3=CC(=CC=C3)Br 1 1.332 3 2 0 -1.33987508494432 761945 CC1=CC=C(C=C1)C2=CC3=NC(=CC(=O)N3N2)COC 1 1.07 3 2 0 -2.72395917413138 761944 CCCC1=CC(=O)N2C(=N1)C=C(N2)C3=CC(=CC=C3)Br 1 2.792 3 1 -0.28453821275368 761936 CC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)N(CC=C)CC=C 1 3.748 2 2 -20.1391296851869 761933 C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3 1 3.436 2 2 -13.0553700921843 761932 CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CN=CC=C3 1 2.735 3 2 -10.3476205824212 761929 C1=CC2=C(C=C1Br)C=NN2 1 2.222 2 0 1.4553054687063 761927 CN1C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3Cl 1 3.352 2 1 -5.02530812948734 761925 CC1=NC2=CC=CC=C2N1CC3=CC=CC=C3Br 1 4.144 2 0 -0.691466239226763 761924 C1=CC=C2C(=C1)N=C(N2CCOC3=CC=C(C=C3)Br)N 1 3.727 3 1 1.98648882700132 761923 C1=CC=C2C(=C1)N=C(N2CCOC3=CC=C(C=C3)Cl)N 1 3.643 3 1 3.44314857210276 761921 CC1=NC2=CC=CC=C2N1CCOC3=CC=C(C=C3)F 1 3.649 2 1 -0.878987849622466 761918 CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3N(C2=O)C 1 3.223 2 2 -4.14755545663689 761917 CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N(C2=O)C 1 3.223 2 2 -5.1420040192509 761915 CN1C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)Cl 1 3.352 2 1 -2.40467888197347 761914 CN1C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3Br 1 3.436 2 1 -5.54715182201115 761910 C1CN2C(=O)C3=CC=CC=C3N=C2N1CC4=CC=C(C=C4)Cl 1 3.303 3 1 -7.38536387319952 761901 C1CCC(CC1)NCCN2CCN3C2=NC4=CC=CC=C43 1 2.914 4 0 -2.45430495290348 761896 CC(C)COCC1=C2C=CC=NC2=C(C=C1)O 1 2.77 1 2 1.33519625148489 761869 C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.352 2 2 -7.29497606374206 761867 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 2.899 2 2 -9.91898052847868 761862 C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)N 1 2.494 3 0 7.60296683045286 761855 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=NC=CN=C2)C 1 2.04 2 3 -11.8396622155453 761853 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Cl)O)[N+](=O)[O-] 1 3.744 1 6 0 -7.28440429233042 761851 CC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3N=N2)[N+](=O)[O-] 1 3.277 4 3 0 -11.6816549021299 761850 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=NC=C2)[N+](=O)[O-] 1 2.171 2 5 0 -13.2068677880853 761846 C1=CC2=C(C(=C1)OC3=C(C=C(C=C3)C#N)[N+](=O)[O-])N=CC=C2 1 3.349 3 3 -5.06501917147224 761841 CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=N2 1 3.382 3 1 -7.93141996327265 761840 C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC=C(C=C3)Br 1 3.645 3 1 -7.56608101778727 761839 C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=N2 1 2.896 3 1 -8.8954805277944 761838 C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.135 3 2 4.39911110783065 761836 CCOC(=O)CN1C(=NC2=CC=CC=C21)C 1 1.868 2 2 0 -5.29648741708913 761822 CC(C)C1=CC(=NN1)C(=O)NN=CC2=CN=CC=C2 1 1.68 5 1 0 -3.91089629290349 761821 CC(C)C1=CC(=NN1)C(=O)NN=CC2=CC=CO2 1 2.226 4 2 -4.2701474863316 761818 CC(C)C1=CC(=NN1)C(=O)NN=C/C(=C/C2=CC=CC=C2)/C 1 3.637 4 1 -5.43507521652208 761809 CCOC1=CC=CC=C1C=NNC(=O)C2=NNC(=C2)C(C)C 1 3.163 4 2 -4.22884155739762 761785 CCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=CO3 1 3.703 4 2 -1.28691966267513 761772 C1=CC=C(C(=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=CC=N3)Cl 1 3.308 5 1 1.29255586927862 761745 CN1C=CC=C1C2=NNC(=C2)C(=O)NN=CC3=CC=C(C=C3)Cl 1 3.621 5 1 -6.47293214929607 761743 CN1C=CC=C1C2=NNC(=C2)C(=O)NN=CC3=CC(=CC=C3)O 1 2.714 5 2 0 -6.28870321303912 761742 CN1C=CC=C1C2=NNC(=C2)C(=O)NN=CC3=CC(=CC=C3)OC 1 2.94 5 2 0 -8.48843377247939 761732 CC1=CC=C(S1)C=NNC(=O)C2=NNC(=C2)C 1 1.8 4 1 0 -6.10642666691065 761723 CC(=NNC(=O)C1=CC=CS1)C2=CC3=CC=CC=C3C=C2 1 3.525 2 1 -4.1448987866504 761707 COC1=CC=CC(=C1)C=NNC(=O)C2=CC=CS2 1 2.62 2 2 -5.4343666201829 761700 CC1=C(C=CO1)C(=O)NN=C(C)C2=CC=CC3=CC=CC=C32 1 2.821 2 2 -3.30186741447166 761684 CC1=C(C=CO1)C(=O)NN=CC2=CC=C(C=C2)C3=CC=CC=C3 1 3.451 2 2 -0.449929546464453 761679 CC1=C(C=CO1)C(=O)NN=CC2=CC(=CC=C2)OC 1 1.916 2 3 0 -3.56909675031223 761677 CC1=CC=C(S1)C=NNC(=O)C2=C(OC=C2)C 1 2.031 2 2 -2.00244441133934 761676 CC1=C(C=CO1)C(=O)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.491 3 4 0 -4.9470308965404 761674 CCOC1=C(C=C(C=C1)C=NNC(=O)C2=C(OC=C2)C)OC 1 2.248 2 4 -9.40858480441407 761669 CC(=NNC(=O)C1=CC=CC=N1)C2=CC=NC=C2 1 0.791 4 1 0 -10.2383780453558 761647 CC1=CC=C(S1)C=NNC(=O)C2=CC=CC=N2 1 2.06 3 1 -5.3315734317031 761640 COC1=CC(=CC(=C1O)OC)C2NC3=CC=CC4=C3C(=CC=C4)N2 1 3.682 2 3 4.54128479717821 761639 CC1=CC=CC(=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2 1 4.443 2 0 6.21420583520375 761638 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=C(S4)Br 1 4.484 2 0 6.05801990902591 761637 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=C(C=CC(=C4)[N+](=O)[O-])Cl 1 4.516 3 2 1.99431386682977 761633 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=C(C=C4)C(F)(F)F 1 4.899 2 0 8.69083443467923 761632 COC1=CC(=C(C(=C1)OC)C2NC3=CC=CC4=C3C(=CC=C4)N2)OC 1 3.908 2 3 2.06354645427101 761629 CC1=CC=C(S1)C2NC3=CC=CC4=C3C(=CC=C4)N2 1 4.061 2 0 6.04878215935333 761628 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 4.516 3 2 2.14763639457679 761627 CCOC1=C(C=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2)OC 1 4.273 2 2 -0.93760998348806 761622 CC(=NNC(=O)CC1=CC=CN1C)C2=CC=CC3=CC=CC=C32 1 3.198 3 1 -6.56265638002773 761619 CC(=NNC(=O)CC1=CC=CN1C)C2=CC3=CC=CC=C3C=C2 1 3.198 3 1 -5.32981631364475 761617 CC(=NN1CCN(CC1)CC2=CC=CC3=CC=CC=C32)C4=CN=CC=C4 1 2.843 4 0 4.65856135862409 761613 CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=CC=C(S3)C 1 3.689 3 0 5.06522036134 761610 COC1=CC=CC=C1N2CCN(CC2)N=CC3=CC=CC=C3C(=O)O 1 2.806 3 3 -1.29769422048285 761608 COC1=CC=CC=C1N2CCN(CC2)N=CC3=CC=C(C=C3)C(=O)O 1 2.806 3 3 -1.18278887325795 761605 CC(=NN1CCN(CC1)C2=CC=CC=C2)C3=CC=NC=C3 1 2.023 4 0 2.65538636108042 761602 CC1=CC=CC(=C1)C=NN2CCN(CC2)C3=CC=CC=C3 1 3.679 3 0 5.45842035463596 761601 C1CN(CCN1C2=CC=CC=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.752 4 2 3.51801105688676 761600 CC1=CC=CC=C1C=NN2CCN(CC2)C3=CC=CC=C3 1 3.679 3 0 4.11269015057753 761596 C1CN(CCN1C2=CC=CC=C2)N=CC3=CC=C(C=C3)C(=O)O 1 2.823 3 2 0.74987205521801 761595 C1CN(CCN1C2=CC=CC=C2)N=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.752 4 2 2.28822106548609 761592 CC1=CC=CC(=C1)C=NN2C(=NN=C2C)C 1 2.052 4 0 1.24519932259797 761591 CC1=NN=C(N1N=CC2=CC=C(C=C2)C3=CC=CC=C3)C 1 3.085 4 0 3.0744538142468 761589 CC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C2C(=CC=C4)N=C1Cl 1 3.722 1 2 -0.968116494888813 761579 CC1=CC=CC=C1N2C(=NC3=CC=CC=C32)C 1 3.875 2 0 -0.26126461215682 761550 CC1=CC(=O)C2=C(N1)C=C(C=C2)Cl 1 2.391 1 1 -2.53589202660676 761548 CC1=CC(=O)NC2=C1C=CC(=C2)OC 1 1.682 1 2 0 -4.54861072940803 761546 C1=CC2=C(C(=C(C=C2Br)Br)O)[N+](=C1)[O-] 1 2.426 1 2 4.32512656893003 761530 CC(=NNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)C2=CC=CC=C2 1 3.222 3 3 -6.49190125990677 761529 CC(=NNC(=O)C1=CC=C(C=C1)O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.316 3 4 0 -7.37291883887931 761528 CC(=NNC(=O)C1=CC=C(C=C1)N(C)C)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.72 4 3 0 -11.9140793286311 761522 C1=CC(=CC=C1F)SCCC2=CC=NC=C2 1 3.331 1 0 4.17945139194893 761521 C1=CC=NC(=C1)CCSC2=CC=C(C=C2)F 1 3.473 1 0 1.34637323536578 761518 C1=CC(=CC=C1[N+](=O)[O-])SCCC2=CC=NC=C2 1 3.02 2 2 0.961726516212729 761510 CC1(CC2=CC=CC=C2C(=N1)NN=CC3=CC=C(C=C3)[N+](=O)[O-])C 1 3.495 4 2 -3.54874958214101 761509 CC(=NNC1=NC(CC2=CC=CC=C21)(C)C)C 1 1.907 3 0 0 -2.8249094268425 761501 C1=CC=C(C=C1)NC(=O)ON=CC2=CC=CC=C2Cl 1 3.716 2 2 1.6193945048417 761488 C1=CC(=CC=C1C(=O)NN=CC2=CC=NC=C2)Cl 1 2.197 3 1 -3.08375964748649 761471 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/C=C/C(=O)OC 1 0.332 1 5 0 -7.86487037116668 761462 CN1C(=CC(=O)N(C1=O)C)CNC2=CC=CC=C2 1 1.022 3 2 0 -8.23123172571225 761461 CC1=C(C(=O)NC(=O)N1)N2CCOCC2 1 -1.04 3 3 0 -13.4718320616719 761457 C1=CC=C(C=C1)OCCN2C3=CC=CC=C3NC2=S 1 4.522 2 1 -2.17193098708116 761429 C/C(=C/C(=O)O)/C=C/C1=CC=CS1 1 2.795 0 2 -0.205693985059564 761426 CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.083 1 4 -20.1669958888033 761422 CC1CCN(CC1)S(=O)(=O)C2=CC=CC=C2 1 2.115 1 2 -16.6397924729401 761418 CC1=C(C=CC(=C1)C(=O)NN2C=NN=C2)[N+](=O)[O-] 1 0.613 5 3 0 -10.335031781643 761415 CC1=CC(=NN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C 1 2.915 3 3 -6.3002367563136 761397 CC(=NNC(=O)C1=CC=CO1)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.577 2 2 -4.08649804702332 761374 C/C(=C/C1=CC=CO1)/C=NNC(=O)C2=CC=NC=C2 1 1.734 3 2 0 -6.46439381178818 761371 CC(=NNC(=O)C1=CN=CC=C1)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.031 3 1 -5.78290775168479 761369 C1=CC(=CN=C1)C(=O)NN=CC2=CC=C(S2)Br 1 2.054 3 1 -4.63946414033496 761353 COC1=CC=CC(=C1)C=NNC(=O)C2=NC=CN=C2 1 0.794 4 2 0 -8.32779634173552 761325 CC(=NNC(=O)CC1=CC=CN1C)C2=CC=CC=C2 1 2.289 3 1 -9.87122295260485 761323 CC1=CC=C(C=C1)C=NNC(=O)CC2=CC=CN2C 1 2.795 3 1 -7.62931172097157 761320 CN1C=CC=C1CC(=O)NN=CC2=CC=C(C=C2)Cl 1 2.973 3 1 -5.80731303038475 761318 CN1C=CC=C1CC(=O)NN=CC2=CC=CC=C2 1 2.309 3 1 -7.8986497645807 761302 CCC1=CC=C(C=C1)C=NNC(=O)CC2=CC=CN2C 1 3.251 3 1 -7.86874985675065 761296 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2NC(=O)C 1 2.13 2 3 -11.9715074240992 761277 C1=CC=C(C=C1)C(=O)NN=CC2=CC=C(O2)C3=CC=CC=C3Cl 1 4.552 2 2 -0.680923749965277 761228 CC1=NC(=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2 1 2.9 3 1 -5.77553002678697 761227 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=CC=CC=N3 1 2.617 3 1 -5.7124146869513 761225 CCSC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C 1 2.687 3 1 -14.339851243992 761224 CCN(CC)C(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C 1 2.56 4 1 -18.5284769755541 761220 CC(C)(C)C1=NC2=CC(=C(C=C2O1)[N+](=O)[O-])Cl 1 3.721 2 3 -1.20424970099074 761219 CC1=C2C=C(C=CC2=NC=C1)SC(F)(F)F 1 5.18 1 0 4.45184188646178 761218 CC1(CC(=CC(=O)C1)NC2=CC=C(C=C2)OCC(C(F)F)(F)F)C 1 3.692 1 2 -16.3897447394532 761213 CCC1=NN2C=C(N=C2S1)C3=CC=CC=C3 1 2.652 3 0 1.83473648171752 761196 C1=CC=C2C(=C1)N=C(S2)COC3=CC=CC=C3O 1 3.432 1 2 5.05596125031937 761192 C1=CC=C2C(=C1)C=CC=C2C3=NNC(=C3)C(=O)NN=CC4=CC=CS4 1 4.227 4 1 0.264792073651826 761190 C1=CC=C2C(=C1)C=CC=C2C3=NNC(=C3)C(=O)NN=CC4=CC=CO4 1 3.669 4 2 1.26484712910878 761182 CC1=CC=C(O1)C2=CC(=NN2)C(=O)NN=CC3=CN=CC=C3 1 1.755 5 2 0 -1.92777456265503 761178 CC1=CC=C(C=C1)N2CCN(CC2)N=CC3=CC=CC=C3 1 3.679 3 0 4.12323545453595 761176 CC1=CC=C(C=C1)N2CCN(CC2)N=CC3=C(C=CS3)C 1 4.119 3 0 3.39377365350194 761167 COC1=CC=CC=C1N2CCN(CC2)N=CC3=CC(=CC=C3)O 1 2.934 3 2 4.24728067906752 761164 CC(=NN1CCN(CC1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.068 4 2 0.573716075235906 761163 C1CN(CCN1C2=CC=CC=C2)N=CC3=CC=CS3 1 3.146 3 0 1.37344649519132 761162 CC1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=C3 1 3.679 3 0 4.03387607647807 761156 C1CN(CCN1C2=CC=CC=C2)N=CC3=CC=NC=C3 1 2.042 4 0 3.84762599433993 761154 C1CN(CCN1C2=CC=CC=C2)N=CC3=CC=CC=C3[N+](=O)[O-] 1 3.087 4 2 1.11255946130483 761153 C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 1.441 2 3 0 -9.4788824613607 761152 CC1=C(SC=C1)C=NN2CCN(CC2)C3=CC=CC=C3 1 3.632 3 0 3.32076705269351 761102 CC1=CC=C(C=C1)OCC2=C(C=CO2)C(=O)O 1 2.694 0 4 -2.81378878578742 761085 CC(=NN1CCN(CC1)CC2=CC=CC3=CC=CC=C32)C4=CC=CO4 1 3.388 3 1 7.07294318019544 761083 CC1=CC=C(O1)C=NN2CCN(CC2)CC3=CC=CC4=CC=CC=C43 1 3.553 3 1 5.18136555302253 761074 CC1=CC=C(O1)C=NN2CCN(CC2)CC3=CC=C(C=C3)Cl 1 3.309 3 1 5.59707986778493 761068 CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=CC=CS3 1 3.544 3 0 2.1099490933938 761065 CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=CC=C(C=C3)N(C)C 1 3.753 4 0 2.01169806954312 761057 CC1=CC(=NN1)C(=O)NN=C(C)C2=CC=CS2 1 1.635 4 1 0 -12.3731638346105 761053 C1=CC=C2C(=C1)C=CC=C2C#CC(=O)O 1 2.958 0 2 1.53624853033116 760993 C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)O 1 0.808 1 3 0 -11.3040245291325 760990 CC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)N3CCN(CC3)C 1 3.15 4 1 1.8030615852403 760985 C1=COC(=C1)C(=O)CCNC2=CC(=CC(=C2)Cl)Cl 1 3.866 1 2 -0.642178722621526 760982 COC1=CC=CC=C1C2=NNC(=C2)C(=O)NN 1 1.006 4 2 0 -2.8555090382568 760979 CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)N 1 1.891 1 2 0 4.84335738973802 760970 C1=COC(=C1)C=NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl 1 3.425 4 2 0.774517163690777 760966 CC1(CC2=CC=CC=C2C3=C1C(=O)N4CCCSC4=N3)C 1 3.308 2 1 -16.1574066751666 760965 C1CC1C(=O)C2=COC3=C2C=C(C=C3)O 1 2.389 0 3 1.24725005231297 760948 C1COCCC1CC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.881 1 2 -6.48073140391809 760941 CC1=CC=C(O1)C(=O)CCNC2=CC=C(C=C2)Cl 1 3.347 1 2 0.441364135669208 760896 CC1CCN(CC1)C2=C(C=C3C=CC(=CC3=N2)C)C 1 4.858 2 0 3.77009411880568 760888 CC1=CC2=C(O1)C3=C(C=CC(=C3)OC)N=C2C 1 2.731 1 2 0.594533826786527 760883 CCOC1=CC=C(C=C1)NC2=CC(=O)N(C(=O)N2C)C 1 1.799 3 3 0 -8.24277056810112 760851 CCC1=C(NC2=C(C1=O)C=CC=C2C)C 1 3.115 1 1 -5.77035415367412 760847 CC1=C(C(=O)C2=C(N1)C(=CC=C2)OC)C/C=C(/C)\Cl 1 3.247 1 2 -5.06584639328367 760838 COC1=C(C=C(C=C1)C=NNC(=O)C2=NNC(=C2)C3CC3)OC 1 2.426 4 3 0 -10.185969510073 760825 COC(=O)CSC1=NC2=C(S1)C=C(C=C2)N 1 1.957 2 2 0 -7.73980717149525 760824 C1CC1C2=CC(=NN2)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.353 5 3 0 -7.84837963448519 760812 C1CC1C2=CC(=NN2)C(=O)NN=CC3=CC=CO3 1 1.854 4 2 0 -6.0988165224944 760806 C1COCCN1C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 2.929 2 2 -10.7855271536421 760804 C1=COC(=C1)C2=NC3=NC=NN3C(=C2)C(F)(F)F 1 2.953 4 1 -6.50395249471915 760787 CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)OC 1 1.552 2 3 0 -9.78090264887349 760760 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)OC 1 4.325 2 1 5.99300968751604 760743 CC(=NN1C=NN=C1)C2=CC=C(C=C2)OC 1 1.009 4 1 0 -2.02184736734674 760740 C/C(=C/C1=CC=CC=C1)/C=NN2C=NN=C2 1 1.851 4 0 0 -0.610717329016964 760733 COC(=O)C1=CC=C(C=C1)C=NN2C=NN=C2 1 0.9 4 2 0 -3.61496321202107 760732 C1=CC=C2C(=C1)C=CC=C2/C=C/3\C(=O)NC(=S)N3 1 2.738 2 1 -4.26478941054916 760726 CCC1=CC=C(C=C1)C=NN2C=NN=C2 1 1.987 4 0 0 0.549451722091897 760724 C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NN3C=NN=C3 1 2.612 4 1 -4.82779113197959e-002 760652 CC(=NNC(=O)CN1C2=CC=CC=C2N=N1)C3=CC=CO3 1 1.721 5 2 0 -12.8298947992129 760639 CC1=CC(=C2C(=C1)N3C(=O)C(=CC4=CC=CC=C4)SC3=N2)C 1 4.974 2 1 -6.59362184267071 760636 C1=CC=C2C(=C1)N=CN2CC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.15 5 3 0 -12.0662964560502 760633 C1=CC=C2C(=C1)N=CN2CC(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.15 5 3 0 -12.4103845524877 760631 C1=CC=C2C(=C1)N=CN2CC(=O)NN=CC3=CC=CC=N3 1 1.534 5 1 0 -8.70167322650513 760611 C1=CC=C(C(=C1)C=NNC(=O)CN2C=NC3=CC=CC=C32)[N+](=O)[O-] 1 2.15 5 3 0 -11.5440266310317 760607 C1=CC=C2C(=C1)N=CN2CC(=O)NN=CC3=CN=CC=C3 1 1.105 5 1 0 -10.054876377156 760604 CCOC1=C(C=CC(=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2)O 1 4.047 2 2 5.62735045500849 760603 COC1=C(C=CC(=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2)O 1 3.699 2 2 6.48210919703192 760602 C1=CC=C(C(=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2)Cl 1 4.622 2 0 3.35876874683661 760601 C1=CC=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2 1 3.957 2 0 4.54531963656193 760590 C1CN(CCN1C2=CC=C(C=C2)Cl)N=CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.752 4 2 3.61133011193617 760589 C1CN(CCN1C2=CC=C(C=C2)Cl)N=CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.752 4 2 3.36463624202341 760579 C1CN(CCN1C2=CC=CC=N2)N=CC3=CC=CC=N3 1 1.859 5 0 0 3.50150434236244 760577 C1CN(CCN1C2=CC=CC=N2)N=CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.476 5 2 0 0.333545436064657 760565 C1CN(CCN1C2=CC=CC=N2)N=CC3=CC(=CC=C3)O 1 2.339 4 1 5.32954691383856 760544 C1=CC(=CC=C1C=NNC(=O)C2=NC=CN=C2)[N+](=O)[O-] 1 0.705 5 3 0 -10.4659233272427 760542 C1CCN(CC1)CP(=O)(CCC2=CC=CC=C2)O 1 2.553 1 2 -1.10472856911742 760540 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=NC=CN=C2 1 1.67 5 1 0 -13.3261977797567 760538 C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)C2=NC=CN=C2 1 0.705 5 3 0 -10.7126171971554 760519 C1=CN=CC=C1C=NNC(=O)C2=NC=CN=C2 1 -0.34 5 1 0 -8.43862222780156 760517 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=NC=CN=C2 1 0.777 4 3 0 -8.88120845150879 760500 CC1=CC=C(C=C1)C=NN2C(=NN=C2C)C 1 2.052 4 0 -0.276739182084694 760498 CC1=NN=C(N1N=CC2=CC(=CC=C2)[N+](=O)[O-])C 1 1.461 5 2 0 -2.84098430793461 760489 CC1=CC=C(O1)C=NN2C(=NN=C2C)C 1 1.107 4 1 0 -0.988563217742182 760487 CC1=NN=C(N1N=CC2=C(C=C(C=C2)OC)OC)C 1 1.533 4 2 0 0.603937356792129 760482 CC1=NN=C(N1N=CC2=CC(=C(C=C2OC)OC)OC)C 1 1.517 4 3 0 -3.71291172849654 760480 CC1=NN=C(N1N=CC2=C(C(=C(C=C2)OC)OC)OC)C 1 1.517 4 3 0 -0.65448235012617 760479 CC1=NN=C(N1N=CC2=CC=C(C=C2)SC)C 1 2.108 4 0 2.11667435271892 760472 CC1=NN=C(N1N=CC2=CC=C(C=C2)C(=O)OC)C 1 1.422 4 2 0 -4.49229565764295 760469 CC1=NN=C(N1N=CC2=C(C(=CC=C2)OC)OC)C 1 1.533 4 2 0 -0.406478742073144 760465 CC1=NN=C(N1N=CC2=C(C=CC(=C2)Br)OC)C 1 2.298 4 1 2.53182839630734 760456 CC1=NN=C(N1N=CC2=CN=CC=C2)C 1 0.416 5 0 0 -7.40260696892201e-002 760440 CC1=CC=C(C=C1)C=NNC(=O)C2=C(OC(=C2)C)C 1 2.564 2 2 -6.79336559664853 760438 CC1=CC(=C(O1)C)C(=O)NN=CC2=CC(=C(C=C2)OC)OC 1 2.045 2 4 -11.0370566652598 760436 CC1=CC(=C(O1)C)C(=O)NN=C/C(=C/C2=CC=CC=C2)/Br 1 2.891 2 2 -9.72787450661242 760434 CC1=CC(=C(O1)C)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.972 3 4 0 -8.69946678967196 760432 CC1=CC(=C(O1)C)C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 1.972 3 4 0 -9.08599856380637 760424 CC1=CC(=C(O1)C)C(=O)NN=CC2=CC=CC=C2 1 2.078 2 2 -6.77701281939908 760414 CC1=CC(=C(O1)C)C(=O)NN=CC2=CC(=C(C(=C2)OC)OC)OC 1 2.029 2 5 0 -10.5026202079232 760402 CCOC1=CC2=C(C=C1)N(C=N2)CC3=CC=CC=C3 1 3.467 2 1 -4.57269462604471 760399 CC1=CC(=C(O1)C)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 1.972 3 4 0 -8.00878396764109 760397 CC1=CC(=C(O1)C)C(=O)NN=CC2=CC=CC3=CC=CC=C32 1 2.986 2 2 -3.72756494656836 760392 CC1=CC(=C(O1)C)C(=O)NN=CC2=CC=C(C=C2)OCC3=CC=CC=C3 1 3.645 2 3 -7.44223677150551 760383 CC1=C(C=CO1)C(=O)NN=CC2=CC(=C(C=C2)OC)OC 1 1.899 2 4 0 -7.90497570718558 760382 CC1=C(C=CO1)C(=O)NN=CC2=CC=CC=N2 1 1.21 3 2 0 -2.17418750926195 760380 CC1=C(C=CO1)C(=O)NN=CC2=CC(=C(C=C2)OC)O 1 1.674 2 4 0 -1.10355265852197 760357 CCCN1C2=CC=CC=C2N=C1CNC3=CC=CC=C3O 1 3.767 3 1 4.43482383565151 760352 CC1=C(C=CO1)C(=O)NN=CC2=CC=CC3=CC=CC=C32 1 2.841 2 2 -0.735321892715779 760346 CC1=C(C=CO1)C(=O)NN=CC2=CC=C(C=C2)OCC3=CC=CC=C3 1 3.499 2 3 -4.44999371765292 760336 C/C(=C/C1=CC=CC=C1)/C=NNC(=O)C2=CC=CS2 1 3.443 2 1 -6.98785822388973 760329 C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)C2=CC=CS2 1 2.531 3 3 -7.8191874756028 760314 CCC1=CC=C(C=C1)NC=C2C(=O)CC(CC2=O)C3=CC=CO3 1 2.976 1 3 -12.3323496308969 760310 CCOC1=CC=C(C=C1)NC=C2C(=O)CC(CC2=O)C3=CC=CO3 1 2.366 1 4 -13.27210085597 760296 C1CCC(CC1)NC(=S)N2CCC3=CC=CC=C3C2 1 4.71 2 0 -12.0701513689759 760289 C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)C3=CC=CS3 1 3.545 2 1 -2.60059176258644 760279 CC1(CC(=CC(=O)C1)NCCC2=CC=C(C=C2)S(=O)(=O)N)C 1 1.459 2 3 0 -19.132886277891 760278 C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=CS3 1 4.203 2 2 -6.31526358752359 760277 CC(=NNC(=O)C1=CC=CC=N1)C2=CC=CO2 1 1.336 3 2 0 -7.3384809465025 760270 CC(=NNC(=O)C1=CC=CC=N1)C2=CC=C(C=C2)Cl 1 2.606 3 1 -7.72081491234124 760268 COC1=C(C=C(C=C1)[N+](=O)[O-])NC2C3CC4CC(C3)CC2C4 1 3.773 2 3 -2.1288790844568 760266 CCOC1=CC2=C(C=C1)N(C(=S)N2)C 1 3.222 2 1 -1.65399193219059 760265 CN1C=CC=C1C=NNC(=O)C2=CC=CC=N2 1 1.552 4 1 0 -10.4321917127783 760262 CC(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=N2 1 3.155 3 1 -6.84679186650808 760257 C1=CC=NC(=C1)C(=O)NN=CC2=CC=CS2 1 1.914 3 1 0 -8.57253552050789 760249 C/C(=C/C1=CC=CC=C1)/C=NNC(=O)C2=CC=CC=N2 1 2.767 3 1 -8.80842696572903 760242 CCOC1=CC=CC=C1NC=C2C(=O)CC(CC2=O)C3=CC=CC=C3 1 3.182 1 3 -11.1691157270636 760239 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=N2 1 2.123 4 1 -9.79153794177236 760235 C1=CC(=CN=C1)CNC(=S)NC2=CC=C(C=C2)F 1 3.15 3 0 -8.71899381555636 760234 C1COCCN1CCNC(=S)NC2=CC=C(C=C2)F 1 2.544 3 1 -9.72428979788068 760231 COC1=CC=C(C=C1)C(=O)C2=CN=CN2 1 1.396 2 2 0 2.61739273114838 760230 COC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F 1 4.284 2 1 -6.6090706242912 760227 CC1=CC=C(C=C1)NC(=S)NN2CCN(CC2)C 1 2.598 4 0 -2.77155640608897 760225 C1CCC(CC1)NC=C2C(=O)CC(CC2=O)C3=CC=CC=C3 1 2.853 1 2 -5.55346783878883 760224 CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=N2 1 3.361 3 1 -4.55211741404841 760217 C1CSC(=N1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.92 2 1 -5.71282330174558 760213 CC(C)C(=O)N1CCC(CC1)CC2=CC=CC=C2 1 3.366 1 1 -4.15216486563311 760210 C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=NC=CN=C3 1 1.65 3 1 0 -5.31667287540405 760199 CC1=C(SC=C1)C=NNC(=O)C2=CC=CC=N2 1 2.4 3 1 -6.70620728917423 760196 CCC1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=N2 1 2.903 3 1 -7.3696896989388 760178 COC1=CC=CC(=C1OCC2=CC=CC=C2F)CNC3=NC=NN3 1 2.807 4 2 -5.79151236619843 760177 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC=CO2 1 2.938 3 2 -9.69411042259913 760139 CC1=NN2C=NN=C2C(=C1)C3=CC=CC=C3 1 1.959 4 0 0 -1.75951711970866 760136 COC1=C(C=C(C=C1)Br)C=NNC(=O)C2=CC=CO2 1 2.81 2 3 -2.31205898672834 760119 COC1=C(C=CC(=C1)SC)C(=O)N2CCCCCC2 1 3.142 1 2 -4.47283177990906 760117 C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=CO3 1 3.645 2 3 -5.67400017844344 760116 CC1=C2C(=C3C(=C1)C(=CC(=O)O3)C(F)(F)F)CCCN2 1 3.628 1 2 -4.69774977759775 760108 CN1C=CC=C1C=NNC(=O)C2=CN=CC=C2 1 1.123 4 1 0 -10.0046092157487 760104 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CN=CC=C3 1 0.974 3 2 0 -7.34568740913586 760050 CCC1=CC2=C(S1)N=CN(C2=O)C3=CC=C(C=C3)Br 1 3.88 2 1 -7.79754965087755 760049 CCC1=CC2=C(S1)N=CN(C2=O)C3=CC=C(C=C3)C 1 3.618 2 1 -8.16288859636293 760047 CCC1=CC2=C(S1)N=CN(C2=O)C3=CC=CC=C3 1 3.131 2 1 -8.42419179150517 760043 COC1=CC=C(C=C1)N2C=NC3=C(C2=O)C4=C(S3)CCCC4 1 3.686 2 2 -13.4750835244298 760039 CCN1C2=CC=CC=C2C(=C1OCC)/C=C(/C#N)\C(=O)OCC 1 3.646 2 3 -7.90704840048078 760037 C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=S)N3)Br 1 3.989 2 1 -1.84508905817663 760036 CCN1C2=CC=CC=C2C(=C1OCC)/C=C(\C#N)/C(=O)OCC 1 3.646 2 3 -7.90704840048078 760027 CC1=C(C=CC(=C1)Br)S(=O)(=O)NCC2=CC=CC=C2 1 3.559 1 2 -1.3394678341199 760024 C1=CC(=CC(=C1)N)C(=O)NC2=C(C=C(C=C2)N)Cl 1 1.785 3 1 0 -3.53142755054508 760021 CC1=CC(=O)OC2=C3CCCNC3=C(C=C12)C 1 3.171 1 2 -7.73075578945185 760018 C1COCCN1C(=O)NCC2=CC=CC=C2 1 0.846 2 2 0 -9.86826101512869 760005 CC1=CC=CC(=C1)C(=O)NC2=C(C(=CS2)CC(C)C)C(=O)O 1 4.167 1 3 -5.87178526986303 760000 C1CC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC(=CC=C3)Cl 1 3.622 1 3 -8.25540890134795 759999 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)Cl)C(=O)O 1 4.078 1 3 -8.56421902223262 759973 C1CCC2(CC1)CC3=CC=CC=C3C4=NN=C(N24)C5=CN=CC=C5 1 3.888 4 0 -0.223275172486171 759972 C1CC(=O)C(=CNC2=CC=C(C=C2)O)C(=O)C1 1 1.323 1 3 0 -4.64514213371368 759971 C1COCCN1C(=O)NC2=CC=C(C=C2)Cl 1 1.504 2 2 0 -5.14888172580131 759969 COC1=CC=CC=C1NC(=O)N2CCOCC2 1 0.823 2 3 0 -10.2769496613619 759955 CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C 1 2.412 1 3 -8.9714703499395 759953 CCOC(=O)C1=C(SC=C1CC(C)C)NC=O 1 2.512 1 3 -5.82337171947942 759952 C1CCC(CC1)NCC(CNC2CCCCC2)O 1 2.592 2 1 -1.77441643651441 759951 CCOC(=O)C1=C(SC2=C1CCC2)NC=O 1 1.789 1 3 0 -12.4173159215012 759948 C1=CC=C2C(=C1)C=CC(=C2CNC3=CC=CC=N3)O 1 3.277 2 1 6.07787664562134 759945 CC1=CC(=CC=C1)N(C(=O)C)N=C2C(=O)C3=CC=CC=C3S2 1 3.574 2 2 -1.603345779672 759944 C1CCN2C(=C(C(=C2C(=O)C3=CC=CC=C3)N)C#N)C1 1 2.814 3 1 -8.03077205099234 759942 CC1=CC(=C(C=C1)N(C(=O)C)N=C2C(=O)C3=CC=CC=C3S2)C 1 4.06 2 2 -2.69797168481503 759941 CC1=CN=C(C=C1)NC=C2C(=O)CC(CC2=O)(C)C 1 1.426 2 2 0 -9.09301127475384 759940 CC(=O)N(C1=CC=CC=C1OC)N=C2C(=O)C3=CC=CC=C3S2 1 3.071 2 3 -6.1234479945749 759936 CC1=CC=CC=C1N(C(=O)C)N=C2C(=O)C3=CC=CC=C3S2 1 3.574 2 2 -5.61673524505394 759935 C1CC2=NC(=CN2C1)SCC3=CC=C(C=C3)Cl 1 3.768 2 0 -3.8275964056612 759934 CC(=O)N(C1=CC=CC=C1)N=C2C(=O)C3=CC=CC=C3S2 1 3.088 2 2 -2.84016428705789 759922 C1=COC(=C1)CNC(=O)/C(=C/C2=CC=CS2)/C#N 1 2.063 2 2 -15.9885652916796 759904 CC1=C(OC(=C1C#N)N=CC2=CC3=C(C=C2)OCO3)C 1 2.933 2 3 -0.144365310441729 759873 CC1=C(C(=O)N=C(N1C2=CC=CC=C2)C)C3=CC=CC=C3 1 3.027 2 1 -3.25983315912058 759872 C1=CC=C(C=C1)/C=C/C=C(\C#N)/C(=O)NCC2=CN=CC=C2 1 2.245 3 1 -9.82090080799862 759871 CCN(CC)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=CC=C3)O 1 4.067 1 3 4.4035994363443 759857 C1=CC(=CN=C1)CNC(=O)/C(=C/C2=CC=CS2)/C#N 1 1.731 3 1 0 -16.3579680175464 759842 CC1=C(SC=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2 1 2.549 2 2 -14.2402525284034 759819 CC1=C(C2=CC=CC=C2N1)SCC(=O)O 1 2.292 1 2 -3.42076492082756 759804 CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)OC3CSC3 1 3.545 1 2 -4.04897719183843 759798 C1COCCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.543 1 3 0 -12.9561192069544 759793 COC1=C(C=CC(=C1)C=O)OCC2=CC=NC=C2 1 1.989 1 3 0 -6.84219132890372 759785 CN(C)C1=C2C(=C(SC2=NC=C1)C(=O)N)N 1 0.449 4 1 0 -6.9401670598625 759777 COC1=CC=C(C=C1)N2C(=NN=N2)C3=CC=CC=C3 1 2.625 4 1 -4.37514141303505 759775 C1CC(=O)N(C1)CC(=O)NCCC2=CC=CC=C2 1 0.799 2 2 0 -21.9649705506435 759774 C1CC(=O)N(C1)CCNC(=S)NC2=CC=CC=C2 1 2.165 3 1 -20.6478250159754 759769 CC1=NN(C(=N1)CN2CCCC2=NC#N)C3=CC=CC=C3 1 1.303 6 0 0 -4.60943210503918 759761 COC1=CC=CC=C1CC(=O)NC2=CC=CC=C2C(=O)O 1 2.262 1 4 -10.9892850026156 759758 C1=CC(=C(C=C1Cl)Cl)OCCN2C=CN=C2 1 2.884 2 1 4.13768581954156 759757 C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)NCC3=CN=CC=C3 1 2.619 2 3 -10.7208694246871 759755 C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC(=CC=C3)O 1 3.52 1 4 -2.53310164069994 759747 C1COCCN1CCNC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl 1 2.661 2 2 -4.82509277425696 759714 CCOC1=CC=C(C=C1)NC(=S)NCC2=CC=CO2 1 3.609 2 2 -10.240657476007 759713 C1=CC(=CN=C1)CNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.239 4 3 0 -13.7136635418541 759667 C1=CC=NC(=C1)COC2=CC=C(C=C2)C=O 1 2.221 1 2 -4.39826386239121 759661 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=CC=N3 1 1.958 4 1 0 -4.62526292532536 759654 CC1=C2C(=CC(=O)N1)C=CC3=CC=CC=C32 1 1.784 1 1 0 -5.79929840529691 759631 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC3=NSN=C32)C 1 3.418 3 2 -2.04240627628937 759619 CCCC(=O)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)OC 1 3.399 4 2 -10.3046887269658 759618 CC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.722 1 4 -8.69069140926544 759617 COC1=C(C=C(C=C1)Cl)C(=O)NC2=CC3=C(C=C2)OCCO3 1 3.048 1 4 -7.27513151112668 759615 CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-] 1 2.781 2 5 0 -13.0537271082619 759610 CCCC1=C(C(=O)C2=C(O1)CC(CC2=O)(C)C)CC 1 3.223 0 3 -8.75333980572168 759583 COC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=C2)Cl 1 2.354 2 3 -1.48377093316067 759581 CC1=CN=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2 1 2.199 2 2 -6.63472069297331 759577 CC1=NCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 -7.e-002 3 3 0 -15.7645529747328 759564 CC1=C2C(=NN1)OC(=C(C23CCN(CC3)CC4=CC=CC=C4)C#N)N 1 2.245 5 1 1.31302143115218 759561 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=N3 1 2.771 3 3 -8.33022543085201 759536 COC1=C(C=C(C=C1)NC2=NC3=CC=CC4=C3C2=CC=C4)OC 1 3.497 2 2 0.720326036811073 759535 COC1=CC=C(C=C1)NC2=NC3=CC=CC4=C3C2=CC=C4 1 3.513 2 1 5.24473732516727 759534 C1CCN(CC1)C2=NC3=CC=CC4=C3C2=CC=C4 1 3.076 2 0 1.76259102373068 759527 CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=CC=C2SC 1 4.142 1 2 -6.16378994900894 759525 CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(C)C 1 4.083 3 1 -5.94526782168861 759524 CC1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2 1 2.675 1 3 -7.05887760065048 759520 COC1=CC=CC=C1NC=C2C(=O)CC(CC2=O)C3=CC=CC=C3 1 2.833 1 3 -10.3758649781836 759516 C1CCC(C1)NC=C2C(=O)CC(CC2=O)C3=CC=CC=C3 1 2.397 1 2 -5.19899932462075 759515 C1C(CC(=O)C(=CNC2=CC=CC=C2Cl)C1=O)C3=CC=CC=C3 1 3.514 1 2 -8.15232946010018 759503 COC1=CC=CC=C1CC2=NN=NN2CC(=O)O 1 0.565 4 3 0 -20.4985847809006 759494 CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32 1 1.816 2 3 0 -16.0020716705353 759461 CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])Cl 1 2.733 2 2 -3.3936694138966 759457 CC1=C(C=C2CCCC(=NNC(=O)C3=CC(=CC=C3)F)C2=C1)OC 1 4.12 2 2 -6.38384382072313 759454 CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 1.656 3 3 0 -5.4088030216248 759440 CCC(=O)/C=C\1/N(C2=C(S1)C=CC(=C2)OC)CC 1 3.691 1 2 7.19657749669654 759439 CCC(=O)/C=C/1\N(C2=C(S1)C=CC(=C2)OC)CC 1 3.691 1 2 7.19657749669654 759425 C1=CC=C2C(=C1)N=C3N2C(=O)C4=C5C3=CC=CC5=C(C=C4)[N+](=O)[O-] 1 3.897 3 3 -3.49499362738941 759408 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N 1 1.868 2 1 0 -7.52079339250965 759407 C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)N)N 1 2.345 3 0 10.5153858270995 759401 C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-] 1 3.175 2 3 9.30307661219312 759399 C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 3.164 3 2 5.3491933963931 759397 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O 1 2.493 0 5 -3.55211932969223 759396 C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=C3 1 4.25 2 2 -6.02165130425854 759372 C1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)CC(=O)O 1 2.414 0 4 -6.55938551356713 759367 C1=CC(=CC=C1N)OC2=CC=C(C=C2)Br 1 3.392 1 1 4.89223136735795 759358 COC(=O)CCS(=O)(=O)C1=CC=C(C=C1)Cl 1 1.975 0 4 0 -12.4922177088594 759355 CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 4.979 0 3 -3.53714029729504 759353 C1COCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -0.264 2 5 0 -20.8510403516694 759347 CC1=CC=CC=C1OCC(=O)NC2=CC=CC(=C2)C(=O)O 1 2.566 1 4 -6.2919373383614 759341 CC1=CC=CC=C1NC(=O)COC2=CC=CC=C2C 1 3.422 1 2 -7.41912072208663 759328 CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C 1 2.045 2 3 -11.1617418468148 759325 CC1=NC(=C(N1CC2=CC=CC=C2)Br)[N+](=O)[O-] 1 2.768 3 2 -3.54476772526641 759324 CC1=NC(=CN1CC2=CC=CC3=CC=CC=C32)[N+](=O)[O-] 1 3.109 3 2 -2.74893473902696 759315 C1CCC2=C(C1)C(=S)N=C(O2)C3=CC=CC=C3 1 4.032 1 1 -6.9439556785433 759305 CC1=NC2=CC=CC=C2N1CC3=CC=CC=C3 1 3.395 2 0 -1.66198076393629 759290 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-] 1 2.181 3 6 0 -9.32304106827517 759286 C1=CSC(=C1)C(=O)C2=CC(=C(C=C2)Cl)N 1 3.105 1 1 -1.74069322264463 759247 CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)N 1 4.187 1 1 -4.07382026552675 759234 CC1=CC=C(C=C1)N2CC3=C(C2=O)C(=C(C=C3)OC)OC 1 3.027 1 3 -6.11691654076431 759233 C1=CC(=CN=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.022 3 3 -3.27952264978317 759231 C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)NC2=CC=NC=C2 1 2.022 3 3 -3.10006885497763 759230 CC1=C(C=C(C=C1)C(=O)NC2=CN=CC=C2)[N+](=O)[O-] 1 1.844 3 3 0 -8.37602328552218 759219 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC 1 2.956 1 3 -6.68514410278242 759209 CC1=C(SN(C1=O)C2=CC=C(C=C2)Cl)Cl 1 3.708 1 1 5.03401384397614 759208 C1=CC2=NC(=CN2C=C1)CNC3=CC=C(C=C3)F 1 2.383 3 0 -2.72405653446345 759184 C1CSC(=O)C2=C1C3=CC=CC=C3N2CC4=CC=CC=C4 1 4.692 1 1 -4.14278824478375 759169 C1N=C(NC(=S)N1C2=CC=C(C=C2)Br)C3=CC=CC=C3 1 4.929 3 0 -4.46762642757633 759162 CC1=CC(=C(C(=O)OC)NC(=O)C2=CC=CC=C2)C=C(O1)C 1 1.725 1 4 0 -7.08246772641918 759155 CC1(CC2=NC3=C(CCCC3)C=C2C(=NO)C1)C 1 3.253 2 1 -6.34237502068579 759153 COC(=O)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N 1 2.389 2 3 9.0961859024463 759147 C1=CC2=C(C=CC3=C2C=CC=N3)C(=C1)[N+](=O)[O-] 1 2.819 2 2 0.552741098444632 759145 C1CCC2(CC1)N(CC(=O)S2)C3=CC=C(C=C3)Cl 1 4.23 1 1 -2.63697471277297 759141 CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)C=C 1 3.831 2 3 -2.53110581958382 759139 C1C2(CN3CN1CN(C2)C3)C(=NN)C4=CC=CC=C4 1 0.843 5 0 0 -2.09403499527479 759132 C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 2.863 3 3 -8.77012621816639 759120 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Br)C(=O)O 1 4.114 1 2 -2.33746105337892 759107 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C(Cl)(Cl)Cl 1 4.178 2 1 -3.01735158087795 759105 C1=CC=NC(=C1)NC(=O)C2=CC=CS2 1 1.956 2 1 0 -4.25176392027299 759103 CN1C2=CC=CC=C2C(=NOC(=O)C3=CC=C(C=C3)OC)C1=O 1 2.414 2 4 4.86224980333826 759101 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=CC=CC=C2 1 2.733 1 3 -17.997390553577 759099 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=CC(=C2)C 1 3.213 1 3 -10.5769723828893 759097 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.494 1 5 -14.9565688978091 759096 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC=CS2 1 1.724 2 3 0 -13.8945353094405 759094 CC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C 1 3.219 1 3 -18.008894591015 759092 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCC3=CC=CC=C32 1 3.007 1 3 -16.8031180529208 759091 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)F 1 2.932 1 3 -11.288122307082 759090 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2CCCCC2 1 3.008 1 3 -15.3163336616169 759082 C1COCCN1C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 1.293 2 4 0 -7.22307413682088 759079 C1=CC(=CN=C1)NC(=O)NC2=CC=C(C=C2)Cl 1 2.036 3 1 -1.18577558449425 759059 CC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)N 1 1.938 2 3 0 -7.72226098916627 759055 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3F 1 2.775 3 2 -0.928267269023435 759045 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)F 1 2.467 3 1 -0.966839351753586 759043 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=CC=C3F 1 2.467 3 1 -2.74434173107574 759035 C1CN(CCN1CC(=O)NC2=CC(=CC=C2)F)C3=CC=CC=N3 1 2.179 4 1 -0.506598856134845 759034 C1CN(CCN1CC(=O)NC2=CC=CC=C2F)C3=CC=CC=N3 1 2.179 4 1 -3.62347443926659 759033 CC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.179 2 2 -11.7383452823202 759008 C1CCC2=C(C1)C=CC=C2NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.686 2 3 -8.89769925303144 759006 COC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC=C2)Cl 1 4.743 2 1 -7.83469078711911 759004 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32)C 1 3.418 3 2 -2.51104109027217 758960 CC(C)NS(=O)(=O)C1=CC=CC2=NSN=C21 1 1.595 3 2 0 -10.3803913243039 758956 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.931 3 2 -0.79924785648234 758954 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCOCC2 1 -1.989 3 5 0 -22.2950325803816 758953 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCCC2 1 -0.76 3 4 0 -20.3368498589318 758946 CC(C)NC1=NC(=NC(=N1)NN2C=NN=C2)NC(C)C 1 0.165 9 0 0 -7.69054456191395 758945 CC1(CC2=C(CO1)SC3=C2C(=O)NC(=S)N3)C 1 2.261 2 2 -16.4728043537071 758940 CC1=C(C(=O)NN1)[C@@H](C2=CC=CC=C2[N+](=O)[O-])C(C#N)C#N 1 0.593 5 3 0 -9.06962307978562 758937 COC1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC=CC=C2 1 2.224 1 4 -16.5961367163511 758934 CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=CC=CC=C3OC 1 1.988 3 3 0 -14.295835465501 758930 COC1=CC=C(C=C1)C=NNC(=O)C2C3=CC=CC=C3C4=CC=CC=C24 1 3.884 2 2 -3.53499792363371 758924 C1CCC2=C(C1)C(=O)C(=C(N2)O)C(=O)NN=CC3=CC(=CC=C3)Cl 1 2.835 3 3 -8.51585477868282 758921 C1CCC2=C(C1)C(=O)C(=C(N2)O)C(=O)NN=CC3=CC(=CC=C3)F 1 2.376 3 3 -9.20497057482232 758889 CC1=CC(=CC=C1)NC(=O)C2=C(N3CCC4=CC=CC(=C43)C2=O)O 1 3.311 2 3 -0.828613898328739 758886 CC1=CN=C(S1)NC(=O)C2=C(N3CCC4=CC=CC(=C43)C2=O)O 1 1.968 3 3 0 -2.91427655651803 758862 CNC(=O)C1=C(N2CCC3=CC=CC(=C32)C1=O)O 1 1.249 2 3 0 -5.18802975519846 758860 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CO3 1 2.812 2 4 -6.4720911627286 758852 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CN=CC=C3 1 2.479 3 3 -6.84149388859537 758850 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=N3 1 2.171 3 3 -5.69320105965594 758848 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=C(C=C3)OC 1 2.741 2 4 -4.05448480812422 758844 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=C(C=C3)F 1 2.963 2 3 -2.92964157351483 758840 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=C(C=C3)Cl 1 3.422 2 3 -1.81951990839326 758832 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=C3 1 3.63 2 3 -5.20443816345328 758831 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=C3 1 3.106 2 3 -4.30326237098777 758825 C1CCC(CC1)OC(=O)CC2=C(NC3=CC=CC=C3C2=O)O 1 3.361 1 4 -7.78926818789099 758821 C1=CC=C(C=C1)CNC(=O)CC2=C(NC3=CC=CC=C3C2=O)O 1 2.439 2 3 -12.2627646697632 758820 CCOC1=CC=C(C=C1)NC(=O)CC2=C(NC3=CC=CC=C3C2=O)O 1 2.764 2 4 -8.43962577617365 758795 C1CC2=CC=CC3=C2N(C1)C(=C(C3=O)C(=O)NC4=CC(=CC=C4)F)O 1 3.487 2 3 -2.40023281739452 758779 C1CC2=CC=CC3=C2N(C1)C(=C(C3=O)C(=O)NN)O 1 1.007 3 3 0 -3.72417247342949 758772 CC(C)NC(=O)C1=C(N2CCCC3=CC=CC(=C32)C1=O)O 1 2.431 2 3 -10.4616580845985 758771 CNC(=O)C1=C(N2CCCC3=CC=CC(=C32)C1=O)O 1 1.705 2 3 0 -6.66300878656556 758761 C=CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CN=CC=C3 1 2.217 3 3 -5.5506113333295 758739 CC1=CC=C(C=C1)NCC(=O)NN=CC2=C(C=CC(=C2)O)[N+](=O)[O-] 1 2.482 4 4 0 -7.75063288140687 758704 CN1C=C(C(C(=C1)C(=O)OC)C2=CSC=C2)C(=O)OC 1 1.042 1 4 0 -11.099547595221 758613 CC1=CC=C(C=C1)C(=O)C=CNC2=CC(=C(C=C2)C)C 1 4.501 1 1 -0.118580525699343 758596 CC1=CC=C(O1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.118 3 4 0 -8.44872829318164 758548 C1COCCN1CC(=O)NC2=CC=C(C=C2)Cl 1 1.308 2 2 0 -5.17243617063428 758406 C1CC(=NC2=CC=CC=C2C#N)N(C1)CC3=CC=CC=C3 1 3.134 3 0 -3.40665081992044 758335 CC(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=C2Cl 1 4.542 2 1 -4.60716692742003 758327 C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=NC=C2 1 1.061 3 4 0 -3.57536492330437 758311 CCN1C(=NNC1=S)CC2=C(NC3=CC=CC=C32)C 1 2.924 4 0 -2.86540059501936 758307 C1=CC=C(C=C1)CN2C(=NNC2=S)C3=NC4=CC=CC=C4C=C3 1 4.3 4 0 -0.661917773477454 758305 C1=CC(=CN=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)Br 1 3.393 3 1 -7.42179748477669 758304 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 1.682 4 3 0 -13.6828443320152 758299 CN1C(=NN=C1SCC2=CC=CC=C2[N+](=O)[O-])C3=CN=CC=C3 1 2.735 5 2 0 -11.3225536050888 758295 C1=COC(=C1)CN2C(=NNC2=S)C3=CC=NC=C3 1 1.716 4 1 0 -3.40578855921094 758292 CCN1C(=NN=C1SCC(=O)N)C2=CC3=C(C=C2)NC(=C3C)C 1 2.536 5 1 -7.06355543626094 758290 CC1=CC=CC=C1N2C(=NNC2=S)C3=CN=CC=C3 1 3.014 4 0 -5.40101558506765 758288 C=CCN1C(=NNC1=S)C2=CN=CC=C2 1 1.568 4 0 0 -8.93713020862126 758273 CCN1C(=NNC1=S)C2=CC=NC=C2 1 1.3 4 0 0 -3.18115246596016 758272 C1=CC=C2C(=C1)C(=CN2)CC(=O)NN=CC3=CC=C(C=C3)F 1 3.217 3 1 -5.65955124524386 758271 CCN1C(=NNC1=S)C2=CN=CC=C2 1 1.3 4 0 0 -4.56849618644239 758269 CC1=C(NC2=C1C=C(C=C2)C3=NNC(=S)N3C)C 1 3.027 4 0 0.283677948739944 758267 CC1=C(NC2=C1C=C(C=C2)C3=NNC(=S)N3CC4=CC=CC=C4)C 1 4.61 4 0 1.37917756913652 758257 CC1CCC(CC1)C(=O)C2=C(OC3=CC=CC=C3C2=O)O 1 3.896 0 4 -5.33531303560937 758254 C1CCC(CC1)C(=O)C2=C(OC3=CC=CC=C3C2=O)O 1 3.644 0 4 0.143937050243794 758250 CCOC(=O)C1=C(N(C(=C1)C)N2C=NN=C2)C 1 0.819 4 2 0 -6.20385193463176 758249 CCOC(=O)C1=C(N(C(=C1)C)CCC2=CC=CC=C2)C 1 3.529 1 2 -10.516890717795 758247 CC1=C(C(=C(N1CC2=CC=CO2)C)C(=O)OC)C(=O)OC 1 1.896 1 5 0 -7.17593498283941 758245 CC1=C(C(=C(N1CC2=CN=CC=C2)C)C(=O)OC)C(=O)OC 1 1.564 2 4 0 -8.59044189384142 758243 CCOC(=O)C1=C(N(C(=C1)C)CCCN2CCOCC2)C 1 1.513 2 3 0 -9.57322586139569 758234 COC1=CC=C(C=C1)CCCC(=O)NN=CC2=CC=CC=C2OC 1 3.597 2 3 -7.29318550782795 758229 CCOC(=O)C1=C(N(C(=C(C1C2=CN=CC=C2)C(=O)OCC)C)C)C 1 1.954 2 4 0 -10.7256542761107 758210 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=CO3 1 1.627 1 3 0 -2.71020769027061 758205 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.455 3 2 -11.5860188143343 758119 C1=CC(=CC(=C1)Cl)CC(=O)NC2=CC=C(C=C2)Br 1 4.062 1 1 -1.78762628832881 758060 C1=COC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=NC=C3 1 2.359 3 4 0 -9.38540123202349 758065 CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.759 2 1 -6.49774464442319 758072 C1CC2=CC=CC=C2N(C3=CC=CC=C31)NC(=O)CCCC(=O)O 1 3.657 2 3 -11.9627228490036 758105 COCC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)C(=O)O 1 1.521 1 5 0 -7.27019055586029 758102 CC1CCC(CC1)NCC2=CC=CO2 1 2.659 1 1 -1.34314700026739 758044 C1COCCN1C(=O)CN2C(=O)COC3=CC=CC=C32 1 -0.221 2 4 0 -10.6183643263702 758038 C1CCC(C1)NC(=O)CN2C(=O)COC3=CC=CC=C32 1 1.287 2 3 0 -9.34732211954567 758022 C1CCN(CC1)C2=CC=C(O2)C=NNC(=O)C3=CC=CC=C3 1 3.282 3 2 -3.32658301764635 758011 COC1=C(C=C(C=C1)C=NN2C=NN=C2)Br 1 1.777 4 1 0 0.453525722353548 758009 CC1=CC=CC=C1C(=O)NC2=NC=C(C=C2)Cl 1 3.153 2 1 -4.81760539992791 757999 C1=CC=C(C=C1)CC(=NNC(=O)C2=CC=NC=C2)CC3=CC=CC=C3 1 3.237 3 1 -6.69641152320858 757997 CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4C=C3 1 4.582 1 2 5.32437206119939 757996 CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)NC3=CC=CC4=CC=CC=C43 1 4.582 1 2 2.50722829711178 757991 COC1=CC(=CC(=C1)CN2CCC3=C(C2)NC4=CC=CC=C34)OC 1 3.9 2 2 0.166605309130066 757978 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN(C)CCC3=CC=CC=C3 1 3.157 3 1 -6.57932772993867 757946 CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C(=O)O 1 4.195 1 2 3.27112448824662 757929 CCOC1=CC=CC=C1C=NNC(=O)COC2=CC=CC=C2CC=C 1 3.859 2 3 -9.49685777818824 757927 COC1=CC2=C(C=C1)C(=NNC(=O)C3=CC=CC=C3)CC2 1 2.972 2 2 -7.07424613832364 757917 CC(C)C1=CC=C(C=C1)C2=C(C(=NC3=C2CCCCC3)N)C#N 1 5.039 3 0 -0.955037649538908 757913 CCC1=C(NC2=C(C1=O)C=C(C=C2)C)C 1 3.115 1 1 -4.66163294753608 757908 CC1=CC2=C(C=C1)NC(=C(C2=O)C/C=C(/C)\Cl)C 1 3.749 1 1 -4.45512684544423 757903 CCC1(CC2=CC=CC=C2C(=O)N1)CC 1 2.742 1 1 -3.39167641904451 757898 C1CC1C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.172 2 1 -3.64409556769883 757895 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CCC3=CC=CC=C3 1 4.028 2 1 -1.53408924415311 757887 C1COCCN1C(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl 1 0.443 2 4 0 -7.86930233705409 757878 C1CC2=C(C1)SC(=C2C#N)N=CC3=CC4=CC=CC=C4S3 1 5.172 2 0 -1.92005254227041 757874 C1=CC=C2C(=C1)C=CC=C2C3=NC(=NO3)C4=CC=CC=N4 1 3.331 3 1 7.88414783115436 757866 CC1=CC(=NN1C(=O)C2=CC=CC=C2[N+](=O)[O-])C 1 2.25 3 3 -10.4269271522077 757864 CC12CN3CC(C1O)(CN(C2)C3C4=CC=CC=C4)C 1 1.912 2 1 0 -1.93911121923195 757862 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3C=CC=N3 1 2.474 3 2 -2.72619174752543 757854 CCC1=CC(=C(C=C1)OCC(=O)NN=CC2=CC=CO2)[N+](=O)[O-] 1 2.75 3 5 0 -5.75747276601003 757848 COC1=CC=C(C=C1)NC(=O)C2=NC=NN2 1 0.764 4 2 0 -5.7094828506261 757837 CC1=CC2=C(N=C(N=C2O1)C3=CC=CC=C3)C 1 2.602 2 1 3.97024574353129 757832 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CC3=CC=CC=C3)Cl 1 3.15 2 3 -4.10880787586742 757830 CN(CC1=CC=C(C=C1)OC)C2=NC=NC(=N2)N 1 1.35 5 1 0 3.51902996266563 757828 C1COCCN1CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl 1 4.666 2 1 3.8425761399878 757826 C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C=N4)N 1 2.446 3 1 -5.78074240306673 757805 CCNC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl 1 4.176 1 1 -5.86202054856565 757795 C=CCN1C(=CC(=O)N=C1SCC2=CC=CC=C2)O 1 3.3 2 2 -15.4598665434857 757789 CC1=CC(=NC(=C1)N=C2C(=NSS2)Cl)C 1 3.572 3 0 6.82580347463172 757779 C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)O 1 2.973 1 2 -9.71789625771292 757777 CC1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)O 1 3.459 1 2 -8.80568712640854 757774 C1CCC(CC1)NC(=O)CSC2=C(C=CC=N2)C(=O)O 1 2.308 2 3 -16.5997962686832 757765 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4 1 3.993 2 2 -7.88087228957302 757764 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCC4 1 4.17 2 2 -5.90379329469608 757751 CC1=CC(=C(O1)C)C(=O)NC2=CC3=CC=CC=C3C=C2 1 2.917 1 2 -4.07305005456427 757748 C1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.604 3 1 -9.09768323532248 757747 C1COCCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 1.914 3 2 0 -7.30456232322994 757745 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NCC4=CC=CC=N4 1 2.668 4 1 -10.3684685297686 757734 CC1=C(C(=NC(=S)N1CC=C)SC)C(=O)C 1 2.904 2 1 -11.2477621340281 757731 CCOC(=O)NC1(OC2=CC=CC=C2O1)NCC(C)C 1 4.372 2 4 -6.17752736277876 757724 CCSC1=NN=C2N1C3=CC=CC=C3C(=O)N2N 1 1.413 5 1 0 -11.9585701282568 757723 CC(=C)CSC1=NN=C2N1C3=CC=CC=C3C(=O)N2N 1 2.127 5 1 -16.7868090127491 757722 C1CC1C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)CN4CCOCC4 1 1.736 2 4 0 -5.6489088039351 757706 CCOC1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2 1 2.862 2 2 -5.82889091986256 757705 CC1=CC2=C(C=C1)NC(=C2C3=CC=CC=C3)C(=O)NN=C4CCCCC4 1 4.997 3 1 -5.08474333092613 757704 CC(=O)N1C(OC(=N1)C2=CC=C(C=C2)C(C)(C)C)(C)C 1 2.639 2 2 -2.57881220698294 757696 CC1=C(C2=CC=CC=C2N1)C(=O)CSC(=S)N3CCN(CC3)C 1 3.856 3 1 -1.32829832256492 757693 CC1=C(C2=CC=CC=C2N1)C(=O)CSC(=S)N3CCCCC3 1 4.816 2 1 -4.08533469743368 757691 CCC1=NC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)N=C1CC 1 3.984 3 1 -10.8443588315607 757690 CC1=CC(=O)OC(=C1C(=O)NCC2=CC=CC=C2)C 1 2.035 1 3 -11.6038369349689 757689 C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=NC4=CC=CC=C4O3 1 3.378 5 1 2.74558949064606 757687 CCOC(=O)C1=C(N=C(S1)NC2=C(C=C(C=C2)C)C)C 1 3.49 2 2 -6.37801583593613 757680 CC1=CC(=O)OC(=C1C(=O)NCC2=CC=CO2)C 1 1.217 1 4 0 -12.9425087047318 757679 CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=C(C=C2)C 1 3.18 3 2 -9.15481467807821 757678 CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=CC(=C2)C 1 3.18 3 2 -8.56303599648225 757672 C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 2.938 3 1 -7.3774474393673 757671 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=N4 1 3.819 3 1 -10.4733579118759 757669 C1CCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.838 2 1 -5.36753334717152 757662 CC1=CC(=CC(=C1)OCC(=O)NC2=CC3=C(C=C2)OCCO3)C 1 3.208 1 4 -9.15535992213467 757658 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC(=CC=C2)F)C 1 1.983 2 1 0 -10.9447344227215 757651 CCC(CC)N1C2=C(C(=CC(=N2)C)C)C(=O)N1 1 2.943 3 1 -3.46095975056873 757649 CC1=CC(=NC2=C1C(=O)NN2C3CCCCCC3)C 1 3.484 3 1 -2.37894468004155 757646 CC1=CC(=NC2=NC(=NN12)SCC(=O)N3CCOCC3)C 1 0.822 5 2 0 -17.0373372954957 757639 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CCCC3 1 2.909 2 1 -6.56773286018406 757634 C1CCC(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 4.307 3 1 -7.21830977336822 757630 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)NCC4=CC=CO4 1 3.214 3 2 -10.3839073198019 757627 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCC4 1 3.821 2 2 -5.13757014298806 757623 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCCC4 1 4.557 2 2 -6.60104295769784 757621 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4 1 3.644 2 2 -7.11464913786499 757617 COC1=CC=C(C=C1)NC2=NC3=NON=C3N=C2N4CCCCC4 1 1.923 6 2 0 -12.8470601894303 757615 CC1=CC(=NC2=NC(=NN12)SCC3=C(C=CC=C3Cl)F)C 1 4.322 4 0 -11.439433075505 757612 CC1=C(N2C=CC=CC2=N1)C(=O)NCC(C)C 1 1.681 3 1 0 -7.86927510530515 757610 CCN(C1=CC=CC=C1)C(=O)CSC2=NN3C(=CC(=NC3=N2)C)C 1 3.059 5 1 -17.2664726894228 757606 C1=CC(=CC=C1NC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)Cl 1 3.287 3 3 -3.24061633594599 757605 C1CCC(C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.573 2 1 -6.8310061618813 757601 CC1=CC(=NC2=NC(=NN12)SCC3=C(C=C(C=C3)F)Cl)C 1 4.322 4 0 -9.68487923947478 757598 C1=CC=C(C=C1)CN(CCO)CC2=CC(=C(C=C2)F)F 1 3.358 1 1 7.90143501702118 757597 C1CCCN(CCC1)CC2=C(C=CC(=C2)Br)O 1 4.239 1 1 7.16592835609805 757593 COC1=C(C=C(C=C1)/C=C\2/CCCC(=C2O)C(=O)C(F)(F)F)OC 1 3.991 0 4 -8.33332490514097 757592 COC1=C(C=C(C=C1)/C=C/2\CCCC(=C2O)C(=O)C(F)(F)F)OC 1 3.991 0 4 -8.33332490514097 757575 COC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C3=CC=CO3 1 2.671 3 3 -10.3698753393598 757565 CC1=CC=C(C=C1)CSC2=NN3C(=CC(=NC3=N2)C)C 1 3.938 4 0 -9.67018193121637 757561 CC1=CC=C(C=C1)S(=O)(=O)/C=C/C2=CC=CC=C2 1 3.36 0 2 0.393319807529968 757560 C/C=C/C1=CC=CC=C1OCC2=CC=C(O2)C(=O)O 1 3.454 0 4 -4.91370959507409 757559 C1=CC=C(C=C1)CN(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)F 1 2.217 1 4 -11.5076543778721 757551 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2N3CCOCC3)C 1 3.272 2 3 -5.7988740079837 757542 C1=CC=C2C(=C1)C=C(O2)C(=O)C3=CC=C(C=C3)F 1 4.034 0 2 3.51588705020444 757533 CC(=O)C1=CC=C(C=C1)NC(=O)CSC(=S)N2CCCC2 1 3.042 2 2 -13.5586513553472 757528 C1=CC=C(C=C1)C(=NOC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=NC=C3 1 3.532 3 4 0 -4.42419125861204 757519 C1=COC(=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)Br 1 2.472 1 4 -9.33055341140451 757505 C1C(=NC(=O)S1)NC2=CC=CC=C2 1 1.882 2 1 0 -3.60716199240358 757483 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CS3 1 2.738 2 1 -6.45366691370907 757480 COC1=CC=C(C=C1)N2C(=O)CNC2=S 1 1.699 2 2 0 -5.3845003952613 757478 CCN(CC)C(=O)CSC1=NC(=O)C=C(N1C)O 1 1.063 3 3 0 -17.4650935999222 757469 C1CN(C2=CC=CC=C21)C(=O)COC3=CC=CC4=C3N=CC=C4 1 2.916 2 2 -14.7270144544148 757465 CC1=C(C=C(C=C1)NC2=NC=NC(=N2)N)C 1 2.126 5 0 0.342368871803752 757453 C1COCCN1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.204 2 3 -5.25617156864045 757447 CCC1=CC=C(C=C1)OCC(=O)N2CCN=C2C3=CC=CC=C3 1 3.549 2 2 -2.89412391733357 757430 CC1=CC(=NN1S(=O)(=O)C2=CC=CC=C2)C 1 2.059 2 2 -9.54862606575413 757425 CC(=O)N1C2=C(C=C(C=C2)OC)C3=C1C(=NCC3)OC(=O)C 1 2.363 2 4 0.259089654063569 757418 CN1C2=C(CN(CN2)CC3=CC=C(C=C3)OC)C(=O)N(C1=O)C 1 1.014 4 3 0 -9.97950271177496 757416 C1=CC=C(C(=C1)C(F)(F)F)NC2=NC=NC(=N2)N 1 2.096 5 0 -0.119525001606725 757412 C1=CC=C(C(=C1)CSC2=C(C=CC=N2)C(=O)O)Cl 1 3.638 1 2 -10.5510610275091 757406 CC1=CC=C(C=C1)S(=O)(=O)NC2=CN=CC=C2 1 1.653 2 2 0 -2.94667355350182 757402 CC(C)OC(=O)C1=C2C=CC=CN2C3=C1C(=O)C4=CC=CC=C4C3=O 1 3.514 1 4 -6.20174257544328 757392 CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)NCC(=O)O)C 1 2.595 1 4 -7.24070608027954 757389 C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2 1 2.611 3 1 -7.70052350560549 757368 COC1=CC=CC=C1CNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.737 2 4 0 -16.6300079506724 757366 COC1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.737 2 4 0 -14.3473371225941 757365 C/C=C(\C)/CN1CCN(CC1)C2=CC=CC=C2F 1 3.62 2 0 4.64887828290692 757364 CCN1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 0.682 3 3 0 -10.0963364196905 757354 CC1=CC=CC=C1OCCN2C=NC3=C2N=CN=C3N 1 1.882 5 1 0 -3.53163614179497 757333 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)F 1 3.366 3 1 3.36497855162148 757329 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F 1 3.366 3 1 2.38324413798106 757324 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3CCCCC3 1 3.046 3 2 -5.97207034614648 757322 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=C(C=CC=N3)C(=O)O 1 2.763 2 3 -15.859054024348 757318 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3Cl 1 3.429 3 2 -1.31926287332946 757316 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NCC2=CC=NC=C2 1 2.966 3 1 -8.10765583949777 757310 CCOC1=NC=NC2=C1SC3=NC4=C(COC(C4)(C)C)C=C23 1 3.064 3 2 -13.9969677468596 757308 CC(C)COC1=NC=NC2=C1SC3=NC4=C(COC(C4)(C)C)C=C23 1 3.907 3 2 -15.3978680455129 757301 CP(=O)(NC1=CC=CC=N1)OC2=CC=CC=C2 1 1.762 2 2 0 4.63794858731811 757298 CC1=CC=CC=C1NC(=O)CC(C(F)(F)F)(C(F)(F)F)O 1 2.912 1 2 -8.36122615484583 757292 CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Cl)N 1 2.303 3 2 -1.55164638676573 757289 CC(=O)C1=CC(=CC=C1)NC=C2C(=O)OC3(CCCCC3)OC2=O 1 2.358 1 5 -8.38730597062539 757278 CCOC1=CC=CC=C1NC=C2C(=O)OC3(CCCCC3)OC2=O 1 2.951 1 5 -7.17600847434089 757277 COC1=CC=CC(=C1)NC=C2C(=O)OC3(CCCCC3)OC2=O 1 2.602 1 5 -4.96537662035448 757269 CC1=CC(=C(C=C1)F)NC=C2C(=O)OC(OC2=O)(C)C 1 1.919 1 4 0 -5.04285215245003 757267 CC1=CC(=NC2=C(C3=C(N12)CCCC3)C#N)C 1 2.534 3 0 -8.90589947206158 757255 C1=CC(=CC=C1NC2=NC3=C(S2)C(=O)C=C(N3)O)F 1 2.598 3 2 -0.523558879720403 757248 CC1(OC(=O)C(=CNC2=CC(=CC=C2)OC)C(=O)O1)C 1 1.211 1 5 0 -5.89723120367824 757234 COC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.415 1 5 -7.70412321811734 757232 CC1=C(SC2=NC(=NC(=C12)N(C)CC3=CC=CC=C3)C)C 1 3.984 3 0 -2.8812825888914 757230 CC1=C(SC2=NC(=NC(=C12)NC3=CC4=C(C=C3)OCCO4)C)C 1 3.574 3 2 -4.40771147878649 757225 C1COCCN1CCNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 -4.e-003 3 4 0 -16.5678886327693 757204 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NC3CCCCC3 1 2.613 3 2 -7.71108802831083 757203 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NC3CCCCCC3 1 3.069 3 2 -7.71108802831083 757197 C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)C3=CC=CO3)N 1 2.545 4 2 1.2486510119518 757193 CCCC(=O)N1C(=NC(=N1)C2=CC=CO2)N 1 1.513 4 2 0 -1.33882124860835 757189 CCC(=O)N1C(=NC(=N1)C2=CC=CO2)N 1 1.057 4 2 0 1.5749551121901 757187 CC(=O)N1C(=NC(=N1)C2=CC=CO2)N 1 0.39 4 2 0 2.44350780753914 757184 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)C)C)C 1 2.614 2 4 -14.0384344128541 757177 C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NON=C32 1 1.434 3 3 0 -10.8172235340174 757169 C1CN(CC=C1C2=CC=CC=C2)C(=O)CCC(=O)O 1 1.511 1 3 0 -11.8501001927798 757164 CCC1=CC=C(C=C1)C(=O)COC(=O)C2=NC=CN=C2 1 2.01 2 3 -12.140217268068 757158 CN1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 1.032 4 2 0 -10.6787999329011 757144 CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)OC)OC 1 3.068 1 3 -11.1580053814499 757135 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C 1 1.568 3 5 0 -15.4334869396101 757133 CC1=CC2=C(C=C1)NC3=C2CCN(C3)C 1 2.836 2 0 6.66916480475322 757124 CC1=CC(=NO1)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-] 1 0.555 6 4 0 -21.6235271331056 757113 C1=CC(=C(C=C1NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])Cl)Cl 1 2.745 5 3 0 -10.7444893282072 757109 CC1=C(C(=NN1CCCC(=O)NCC2=CC=CC=C2)C)[N+](=O)[O-] 1 2.015 4 3 0 -17.6910251838979 757094 CC1=C(C(=NN1CCCC(=O)NC2CCCCC2)[N+](=O)[O-])Cl 1 3.21 4 3 0 -15.1653807933067 757091 CC1=CC(=NO1)NC(=O)CCCN2C(=C(C(=N2)[N+](=O)[O-])Cl)C 1 2.067 5 4 0 -21.2208582532377 757080 CC1=C(C(=NN1C)C)CN(C)S(=O)(=O)C2=CC=C(C=C2)F 1 1.814 3 2 0 -1.52616415442019 757063 C1CSCCN1C(=O)NC2=CC=C(C=C2)Cl 1 2.248 2 1 -2.90125880404863 757051 C=CCN1C(=CC(=O)N=C1SCC(=O)N2CCCCC2)O 1 1.899 3 3 0 -20.1000993312147 757048 CC1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C 1 3.001 2 4 -3.38506804160388 757043 CC1=CC(=C2C(=C1)N(C(=O)N2CC=C)CC=C)C 1 3.31 2 1 -8.57322486243135 757009 CCSC1=C(C=NN(C1=O)C2=CC=CC=C2)S 1 2.136 2 1 -3.2647995694008 757007 CCC1=CC(=C(S1)NC(=O)CCCC(=O)O)C(=O)OC 1 1.706 1 5 0 -19.4854257837909 757005 CCCC1=CC(=C(S1)NC(=O)CCCC(=O)O)C(=O)OC 1 2.162 1 5 -17.5500498223475 757003 CCC1=CC(=C(S1)NC(=O)CCC(=O)O)C(=O)OC 1 1.249 1 5 0 -16.4985230469041 756999 COC(=O)NC1CCC(CC1)CC2CCC(CC2)NC(=O)OC 1 3.426 2 4 -7.63304786405353 756979 CC(C)(C)C1CCC2(CC1)NC(CO2)(CO)CO 1 0.934 1 3 0 -3.57834390544696 756973 CC(C)N1CCC2(CC1)NC(CO2)(CO)CO 1 -0.349 2 3 0 -1.48083360104805 756972 CCN1CCC2(CC1)NC(CO2)(CO)CO 1 -0.727 2 3 0 0.145182896288103 756966 CCCC1=CC(=C(S1)NC(=O)CCC(=O)O)C(=O)OC 1 1.706 1 5 0 -14.5631470854608 756965 CCC(C)(C)C1CCC2(CC1)NC(CO2)(CO)CO 1 1.39 1 3 0 -4.4385967315868 756957 COC(=O)NCC1=CC(=CC=C1)CNC(=O)OC 1 1.371 2 4 0 -6.79819918215608 756954 CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O 1 2.832 0 5 -5.40938278348853 756940 C1CCN(C1)C(=O)C2=CC=C(O2)COCC(F)(F)F 1 1.989 1 3 0 -7.74930505086715 756939 C1CN(CC2=CC=CC=C21)C(=O)COC3=CC=CC=C3F 1 2.943 1 2 -9.6837710872952 756927 COC1=C(C=C(C=C1)/C=C\2/CCC3=CC=CC=C3C2=O)OC 1 4.23 0 3 -1.84930219114385 756926 COC1=C(C=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O)OC 1 4.23 0 3 -1.84930219114385 756904 CC1=CC(=NC(=C1)NC(=O)CCCC(=O)O)C 1 1.409 2 3 0 -12.542424397301 756869 CC(=O)N1CCN(CC1)CC(C2=CC=CC=C2)C3=CC=CC=C3 1 2.793 2 1 -8.43110268605442 756861 CC(=O)C1=C(N=C(NC1=S)C2=CC=CC=C2)SC 1 2.73 2 1 -3.73292181956943 756834 CCCN(CCCC1=CC=CC=C1)CCO 1 3.014 1 1 0.959324103744249 756833 C1CN(CCN1CC2=C(C=CC3=CC=CC=C32)O)C4=CC=CC=C4F 1 4.404 2 1 12.6935663335426 756823 C1CN(CCN1CC2=C(C=CC=C2F)F)C3=CC=C(C=C3)Cl 1 4.608 2 0 5.53736207801072 756822 CCC1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3F 1 4.721 2 0 3.85549092010383 756821 C1=CC2=C(C=C1NC(=O)C3=CC=C(O3)Br)NC(=O)N2 1 1.44 3 3 0 -13.5161557814254 756817 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=NC=C3 1 1.232 2 3 0 -7.81592679232071 756807 CC1(CC2=C(CO1)C=C(C(=N2)Cl)C(=O)N)C 1 1.158 2 2 0 -9.91509487090559 756800 CCN1C2=CC=CC=C2N=C1COC3=CC=CC=C3C 1 4.146 2 1 0.773170489309371 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2.549 1 5 -10.2322331695665 756053 CC1=CC(=NC(=N1)OC2=NN(C(=O)C=C2)C)OC3=NN(C(=O)C=C3)C 1 1.096 6 4 0 -7.84404255043642 756039 CCC1=CC=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32 1 2.706 3 2 -11.3529595378365 756038 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43 1 1.532 3 4 0 -14.0700909673193 756028 CC1=NN(C(=C1C2=CC=CC=C2)N)C3=NC4=CC=CC=C4S3 1 3.86 4 0 5.11849359835339 756025 C1NC(=NCN1CCO)NC2=NC3=CC=CC=C3O2 1 0.656 5 2 0 -1.77816727733695 756024 C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCC3=CC=CO3 1 0.953 3 3 0 -16.3891535457915 756022 C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3N2 1 2.89 3 1 -9.5140593428695 755970 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(F)(F)F 1 3.243 1 3 -2.39532263838903 755971 CCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)N3CCCC3 1 4.177 2 1 -0.658566797163035 756019 CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(=O)NNC3=CC=CC=N3)O 1 3.926 3 2 -8.01682759173731 756017 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.56 2 3 -11.6104892747226 756005 CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3C4=CC=CC=C4C2=O 1 4.427 1 3 -5.91750042301512 755997 CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C4=CC=CC=C4C2=O 1 4.289 1 3 -7.42786504739612 755995 C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CO4 1 3.146 1 3 -3.31563118986251 755990 CCN(CC)C(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 1 3.345 1 2 -9.35479290888794 755964 C1=CC=C(C=C1)COC2=CC=CC(=C2)CNN3C=NN=C3 1 2.058 4 1 -2.58112687564394 755962 COC1=C(C=C(C=C1)NCC2=CC3=C(C=C2)OCO3)Cl 1 3.638 1 3 -2.16547524602035 755952 C1COCCN1C2=C(C=C(C=C2)NCC3=CC=CS3)Cl 1 3.476 2 1 -1.66392908623432 755950 C1=CC(=CN=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.022 3 3 -7.36152628967081 755947 C1CSCC2=C1NC3=C2C=C(C=C3)C(=O)O 1 2.381 1 2 1.31855382648447 755939 C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S 1 3.348 2 3 -6.79775583107785 755890 CC1=CC=C(C=C1)NCC2=NNC(=S)N2C3=CC=CC=C3 1 3.825 4 0 -5.95405783028001 755893 CC1=NC2=C(S1)C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)F 1 2.867 2 2 -2.70708610658668 755895 C1CC2=NC3=C(N2C1)C(=O)N(C=N3)CC4=CC=CC=C4 1 1.979 4 1 0 -2.84785199193634 755897 C1CC2=NC(=C(N2C1)C(=O)C3=CC=CC=C3)N 1 1.927 3 1 0 -4.44081507096152 755898 CN(C)C1=C(C(=NC=C1)SCC2=CC=CC=C2Cl)C#N 1 4.049 3 0 -13.2085267696436 755931 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C4N=CC=CN4N=C3 1 1.13 5 2 0 -5.61419098327855 755926 CC1=CC(=NC2=C(C=NN12)C(=O)NCC3=CC=CC=C3)C 1 1.459 4 1 0 -16.6111744724772 755924 CC1=C(C(=NO1)C)CSC2=NN=C3N2C(=CS3)C4=CC=CC=C4 1 3.832 4 1 -12.2105903575542 755902 CC1=C(C(=NO1)C)CSC2=NC3=CC=CC=C3C=C2 1 3.562 2 1 -6.7586925774942 755872 CCN(CC)C1=NC(=NC(=N1)N2C(=C(N=N2)C(=O)C)C)OC 1 1.805 7 2 0 -13.7989791740594 755850 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2CCCCC2 1 2.711 2 3 -19.4256226284019 755849 COC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C(F)(F)F 1 3.127 4 1 -3.15065763826488 755838 C1=CSC(=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)Cl 1 2.946 1 3 -9.43091030506487 755834 C1=COC(=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)Cl 1 2.388 1 4 -7.87389366630308 755832 C1=CC(=CC=C1COC(=O)C2=NC=CN=C2)Cl 1 2.06 2 2 -3.88254911703552 755828 CC1=CC(=CC=C1)NC(=O)CSC2=C(C(=CC(=N2)C)COC)C#N 1 2.848 3 2 -13.7862906595255 755827 CC1=C(C=C(C=C1)C(=O)C2=CC3=CC=CC=C3O2)C 1 4.801 0 2 2.85573301341968 755826 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)OC2=CC=CC=C2 1 3.009 2 3 -14.7345274400508 755818 CC1(CC(=O)C(=CNC2=C(C=CC=N2)C(=O)O)C(=O)C1)C 1 1.042 2 4 0 -11.80676171662 755810 CS(=O)(=O)NC1=CC2=C(C=C1)NC(=O)N2 1 -0.397 3 3 0 -12.0154348289067 755808 C1=CC(=CC(=C1)N2C=CC=C2C=NO)C(=O)O 1 2.454 2 3 1.45012751783782 755801 C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3S2 1 3.459 2 1 -11.646509818622 755800 C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)O 1 4.259 2 2 -11.6689212994842 755776 C1=CC=C(C=C1)C(=O)CNC(=O)C2=CC=CC=C2F 1 2.499 1 2 -10.3401549174379 755757 COC1=CC=CC=C1C(=O)NC2=CC3=CC=CC=C3C=C2 1 3.506 1 2 -3.90841503598486 755735 C1=CC=C(C=C1)CNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.203 2 2 -5.62156934348168 755725 CC1=NC(=C2C3=C(CCC3)SC2=N1)N4CCOCC4 1 2.383 3 1 -8.84394916579165 755720 CN1C2CC(N(C1=O)C)N(C(=O)N2C)C 1 -0.87 4 2 0 -3.65682680802671 755718 CC12CC(N(C(=O)N1C)C)(N(C(=O)N2C)C)C 1 -0.992 4 2 0 -4.82622506425712 755715 CC1=CC=CC=C1NC(=O)CC(=O)C2=CC=CC=C2 1 3.021 1 2 -5.53856417963162 755666 CC(=O)N(C1=CC=CC=C1)C2(CCCCC2)CC=C 1 3.808 1 1 -5.69033826710465 755667 CN1C(=CC(=O)N=C1SCC(=O)N2CCOCC2)O 1 5.3e-002 3 4 0 -15.8936756989804 755668 CCN(CC)C(=O)CSC1=NC(=O)C=C(N1CC=C)O 1 1.679 3 3 0 -23.239813681932 755669 CC1=CC=CC=C1NC(=O)CSC2=NC(=O)C=C(N2C)O 1 2.222 3 3 -15.4741133901407 755670 C=CCN1C(=CC(=O)N=C1SCC(=O)N2CCOCC2)O 1 0.669 3 4 0 -21.6683957809903 755673 C1CC2=C(C(=O)NC1)OC3=C2C=C(C=C3)O 1 1.922 1 3 0 -1.73273841748091 755710 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.151 2 4 -2.56502015006605 755693 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C4=NC(=NN24)N 1 2.763 5 0 0.618868182050044 755692 COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)OC)N)N 1 1.708 2 3 0 -1.85983888755197 755661 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=CS3 1 3.491 2 1 -1.61406203592979 755657 COC1=CC=C(C=C1)C(=O)C2=NC3=C(N2O)CCCCC3 1 1.232 2 3 0 -1.86972250942634 755656 C1=CSC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O 1 4.294 1 2 -0.873844641479451 755651 C1CCC2=C(CC1)N(C(=N2)C(=O)C3=CC=CC=C3)O 1 1.248 2 2 0 -2.25240386779155 755648 C1CCC2=C(CC1)N(C(=N2)C(=O)C3=CC=CO3)O 1 0.643 2 3 0 -2.01912478542048 755646 COC1=C(C=C(C=C1)C(=O)C2=NC3=C(N2O)CCCC3)OC 1 0.759 2 4 0 -5.95840934445194 755644 C1=CC(=CC=C1OC2=C(C(=O)NC(=N2)N)Br)F 1 1.942 3 2 0 -3.83701825120763 755636 CCOC(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)F 1 4.062 0 4 -2.09020946771009 755616 CS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)Cl 1 1.298 2 3 0 -15.3335136197804 755601 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CO3 1 1.102 3 3 0 -14.4696980310693 755598 C1CCN(CC1)CC2=CC3=C(C=C2)NC4=C3CCCC4=O 1 3.927 2 1 1.39552424012712 755597 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=CC=C2)Cl 1 1.291 2 3 0 -7.15443263363359 755596 COC1=C(C=C(C=C1)CCNC(=S)N)OC 1 2.097 2 2 -8.04468223007058 755590 CC(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCOCC3 1 3.57 2 2 -4.29624145108752 755585 COC1=CC=CC=C1CN2C3=CC=CC=C3N=C2CO 1 2.707 2 2 -1.32991547123749 755576 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3CCCC3 1 3.377 3 1 -8.22798459006044 755572 C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)F 1 3.34 2 0 -2.47410102131013 755555 CCN1C2=CC=CC=C2NC1=S 1 3.239 2 0 -2.22526584139293 755550 CC(C)CN1C2=CC=CC=C2NC1=O 1 2.09 2 1 -6.72115253165237 755542 CCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)N 1 3.078 3 0 4.61418844582128 755539 CCC1=C(N=C(N=C1OCC(C(F)F)(F)F)N)C 1 2.578 3 1 -5.79502262790687 755510 C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2CO 1 3.044 2 1 9.44746618949144e-002 755506 C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)F)F)C(=O)O 1 3.275 0 3 -2.86663578469441 755505 COCN1C2=CC=CC=C2N=C1C3=CC(=CC=C3)Br 1 4.076 2 1 4.53804043407078 755504 COCN1C2=CC=CC=C2N=C1C3=CC(=C(C=C3)OC)OC 1 3.295 2 3 -0.774134737655279 755501 COCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC 1 3.311 2 2 3.12241082341043 755499 COC(=O)CN1C=NC2=C(C1=O)N3CCCCCC3=C2C#N 1 1.446 4 3 0 -14.5943116344167 755498 C1CCN2C(=C(C3=C2C(=O)N(C=N3)CC4=CC=CC=C4)C#N)C1 1 2.866 4 1 -8.74456194699372 755497 CC1=CC=C(C=C1)C(=O)C2=COC3=C2C=C(C=C3)OCC(=O)O 1 3.489 0 5 -2.03212370886202 755496 C1=CC=C(C=C1)C(=O)C2=COC3=C2C=C(C=C3)OCC(=O)O 1 3.002 0 5 -2.82777127637137 755492 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CN=CC=C3 1 2.102 3 1 -1.00785351189153 755483 CN(C)CCN(CC1=CC=CC=C1)C2=C(C(=NC=C2)N(C)C)C#N 1 2.523 5 0 -9.08595630407488 755479 CN(C)C1=NC=CC(=C1C#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3 1 3.968 4 0 -8.19627412934255 755477 CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)Br 1 3.364 2 1 -2.27619158531422 755475 CC(=O)N1C=C(C2=CC=CC=C21)NC3=CC=CC=C3C(=O)O 1 3.293 2 3 1.93258273141227 755472 C1=COC(=C1)C(=O)NC2=C(C=C(C=C2)F)F 1 2.42 1 2 -2.7384095592871 755468 CC1=CC=CC(=C1)C(=O)NC2=CC=CC3=C2CCCC3 1 4.614 1 1 -6.27966535563833 755463 CC1=CC2=C(C=C1)NC3=C2CCC3=O 1 2.966 1 1 -0.232226595255962 755455 CCOC(=O)CCN1C=C(C(=O)NC1=O)F 1 -0.592 2 4 0 -12.4111510458245 755449 C1CCC2=C(CC1)SC(=C2C(=O)O)NC(=O)C3=CC=CC=C3 1 3.87 1 3 -12.1872485480547 755448 C1CCC2=C(CC1)SC3=C2C(=N)N4CCCCCC4=N3 1 3.883 3 0 -14.2193131869634 755435 CCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=CC=N3)C 1 2.433 5 1 3.90514017300257 755434 CCOC(=O)/C(=C/C1=C(CC(OC1)(C)C)N2CCCC2)/C#N 1 1.685 2 3 0 -13.9965241956531 755432 C1CCN(CC1)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 2.213 3 2 -14.9891520032227 755425 CC(C)N(CC1=CC=CC=C1)C(=O)CC2=CC=C(C=C2)OC 1 3.572 1 2 -7.16819256000752 755421 C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=CC=CC=C3 1 4.119 2 1 -19.2477508668897 755406 COC1=C(C=C(C=C1)C2(CCCC2)CNC(=O)CCC(=O)O)OC 1 2.224 1 5 -25.582245399745 755399 CC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2N1C3=CC=CC=C3 1 4.202 3 1 -14.7173778948732 755396 CC(C)(C)C1=CC=C(C=C1)C(=S)N2CCN(CC2)C3=CC=CC=C3 1 5.697 2 0 3.37792244335565 755395 CC1=NC2=C(C=C(C=C2)Br)C(=C1)C(=O)N 1 2.049 2 1 1.90002765483977 755382 CC1CCN(CC1)C(=O)OC2=CC=CC=C2 1 2.968 1 2 -6.75108841976404 755380 CCN1C=C(C(=N1)C(=O)NC2=CC(=C(C=C2)F)Cl)Br 1 3.66 3 1 -4.16312449704418 755374 CCNS(=O)(=O)C1=C2C=CC=C3C2=C(C=C1)NC3=O 1 0.953 2 3 0 -16.7836258639481 755373 C1COCCN1C2=NC(=NC(=N2)C#N)N3CCOCC3 1 -0.572 6 2 0 -3.12480816180983 755368 CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC(=O)C=C(N2)C)C 1 3.75 2 2 -16.96802979793 755367 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C 1 2.602 1 2 -15.7437828337039 755364 CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC3=CC=CC=C32)C 1 3.449 2 2 -0.874209943807774 755358 CC1=C(C(=CC=C1)NC(=O)CN2CCOCC2)C 1 1.616 2 2 0 -5.98817558931505 755339 C1=CSC(=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)O 1 3.432 3 2 -12.078264732966 755333 CC1=CC=CC=C1NC2=CC=CC3=NON=C32 1 3.436 3 1 5.21086083033462 755331 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C#N 1 3.791 2 0 -3.49955153576489 755326 C1CC2=C(C(=O)C1)N=C(N2O)C3=CC(=CC=C3)Cl 1 1 2 2 0 2.54860881604089 755324 C1CC2=C(C(=O)C1)N=C(N2O)C3=CC=C(C=C3)F 1 0.541 2 2 0 0.197733389013209 755316 CC1=CC(=NC2=CC(=NN12)C(=O)NCC3=CC=CC=C3)C 1 1.888 4 1 0 -17.168926938451 755305 C1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=CC=C3 1 3.189 2 0 7.26577965902055 755301 CC1=CC(=NC(=N1)C2=CC=C(C=C2)Br)NO 1 2.384 3 1 5.95822793751952 755299 CCCC1=NC=CN1S(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 2.425 2 4 -6.85873911487825 755296 CC1=CC(=NC=C1)NC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 2.502 2 4 -9.15349849862123 755292 CC(C)C1=CC=C(C=C1)NC(=O)COC 1 1.881 1 2 0 -5.31233282608772 755291 C1CCC2=C(C1)C=CC=C2NC(=O)C3=CC=CO3 1 3.523 1 2 -5.22529092405488 755288 CC1=C(C=C(C=C1)S(=O)(=O)N2C(=NC=C2[N+](=O)[O-])C)C 1 2.326 3 4 0 -5.31935387068728 755279 C1CCC2=C(C1)C=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl 1 4.495 1 2 -2.15447963719827 755277 COC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2CCCC3 1 4.111 1 2 -6.44671530486104 755263 C1CC2=CC=CC=C2N(C1)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.28 2 3 -10.7609630363059 755262 C1CN(CC2=CC=CC=C21)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.831 2 3 -12.8806454234591 755259 C1=CC=NC(=C1)CNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.615 3 3 0 -12.9190392816645 755257 C1=CC=C(C(=C1)CC(=O)NCC2=CC=CO2)[N+](=O)[O-] 1 1.732 2 4 0 -15.6192583146137 755255 COC(=O)C1=CC(=CC(=C1)C(=O)N2CCOCC2)[N+](=O)[O-] 1 0.681 2 6 0 -12.0908293482414 755245 COC1=CC=CC(=C1)C(=O)N2CCCC3=CC=CC=C32 1 3.335 1 2 -8.78872735714079 755243 CC1=CN(N=C1)C2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.178 4 0 5.51525569129804 755237 COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OC)OC 1 2.565 1 4 -9.61895149967675 755236 COC1=CC=CC=C1CNC(=O)C2=CC=CS2 1 2.558 1 2 -10.9286947661971 755229 C1COCCN1CCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.423 3 4 0 -12.0613758477921 755207 CN1C(=CC=N1)C(=O)NC(=S)NC2=CC(=CC(=C2)Cl)Cl 1 4.036 4 1 -11.9662200302207 755190 C1CCN(CC1)CCOC(=O)C2=CC=C(C=C2)O 1 2.499 1 3 -1.54907179044576 755179 CC1=CC2=C(C=C1C)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.88 2 2 -3.53439403770868 755177 CC1=CC(=NC(=N1)C2=CC=C(C=C2)Br)N3CCOCC3 1 2.471 3 1 2.73285863808879 755175 CCOC(=O)C1=CN=C(N=C1N(C)C)C2=CC=CC=C2 1 1.956 3 2 0 -2.21420135475303 755172 CN1C(N(C2=CC=CC=C21)C)C3=CC(=C(C=C3OC)OC)OC 1 3.707 2 3 -7.64384555333143 755166 CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3N2 1 3.558 3 1 -10.2350624129167 755117 CNC(=O)C1=NCCCC2=CC(=C(C=C21)OC)OC 1 1.682 2 3 0 -10.8751132236297 755102 C1CCC(C1)(CNC2=CC=CC=N2)C3=CC=CC=C3 1 4.065 2 0 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775622 C1COCCN1C(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CS3 1 1.237 2 4 0 -18.9618572335072 775618 C1CCN(C1)C(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CS3 1 2.01 2 3 -17.0390922695635 775616 C1=CC2=C(C(=C1)SCC(=O)NN=CC3=CN=CC=C3)N=CC=C2 1 2.112 4 1 -8.65360038524562 775611 C1=CC2=C(C(=C1)SCC(=O)NN=CC3=CC=NC=C3)N=CC=C2 1 2.112 4 1 -8.92356673362895 775610 C1=CC2=C(C(=C1)SCC(=O)NN=CC3=CC(=CC=C3)O)N=CC=C2 1 3.021 3 2 -7.03677742230205 775600 CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=O 1 4.158 1 1 -0.115097703174151 775599 C1COCCN1C2=C(C=C(C(=C2)Cl)C(=O)C3=CC=CC=C3)F 1 3.953 1 2 -1.91879713287614 775598 CC1=CC(=C(C(=C1Cl)C(=O)N2CCOCC2)F)F 1 2.493 1 2 -5.71920438053202 775593 C1CC2=CC=CC=C2N(C1)C(=O)CN3C(=O)CCC3=O 1 0.786 2 3 0 -14.1013234287786 775592 CC(=O)C1=CC(=C(C=C1)N2CCCCC2)F 1 2.854 1 1 -1.18252133717696 775589 C1=CC=C2C(=C1)C(=CN2CC3=C(C=C(C=C3)F)Cl)C=O 1 4.542 1 1 1.55183978799983 775586 C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=O)F 1 3.877 1 1 -1.04489111389056 775584 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)F 1 2.45 1 3 -6.738322969584 775576 CC1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C=O 1 3.211 2 2 -6.05328256757227 775565 CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=O 1 4.158 1 1 -0.82434827644276 775562 C1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=O 1 3.721 1 2 -2.19634774691112 775556 C1=CC(=CC=C1NC(=O)CCC(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-] 1 2.808 2 5 0 -9.58986396793336 775547 C1=CC=C2C(=C1)C(=CN2CC3=C(C=CC=C3Cl)F)C=O 1 4.542 1 1 -1.73155889441178 775545 CC1=CC(=CC=C1)N2CCN(CC2)C3=NC(=O)C(=C(C)C)S3 1 3.938 3 1 -0.307469514715983 775531 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2C=C(N=C2)C 1 1.826 2 3 0 -6.5765387637503 775530 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2C=CN=C2C 1 1.805 2 3 0 -4.66101794601561 775526 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.046 2 3 -9.54636211536652 775524 C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC=NC=C3 1 1.3 3 3 0 -7.20299699663819 775522 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2 1 2.79 1 3 -11.3711336301269 775521 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2 1 1.104 1 4 0 -13.3293163515767 775520 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCC2 1 2.333 1 3 -11.3711336301269 775505 CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl 1 2.897 2 2 -8.47474377680846 775488 CC1=NC=C(N1S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-] 1 2.683 3 4 0 -4.48729285104576 775445 C1COCCN1C(=O)/C=C/C2=CC=CC=C2C#N 1 1.278 2 2 0 -6.98838056382476 775483 CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NCC2=CC=CC=N2 1 3.204 2 2 -1.41396500332492 755092 CCN(CC)C(=O)C1=NNC(=O)C2=CC=CC=C21 1 1.091 3 2 0 -14.1773666688182 755079 C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C4=CC=CO4 1 3.44 0 3 4.68772121655796 755066 CC1=CC2=C(C=C1)N(C(=O)N2CC=C)CC=C 1 2.824 2 1 -7.34030295969045 755061 C1C2=C(C3=CC=CC=C3N2)N(C(=O)CN1C=O)C4=CC=CC=C4 1 2.044 3 2 -1.82682898242396 755053 C1=CC=C(C(=C1)C(=O)O)S(=O)CCO 1 0.35 0 4 0 0.500402860096423 755047 CC1=CC(=NC2=C1C(=NN2C3CCCCC3)C)C 1 3.637 3 0 -9.07264569163336 755027 COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.097 2 2 -3.22085957839255 755017 CC(=O)N(C1=C(C2=CC=CC=C2OC1=O)N3CCCC3)C(=O)C 1 0.946 2 4 0 -5.55442165530786 754994 CCOC1=CC=C(C=C1)C(=O)NCC2(CCOCC2)C3=CC=CC=C3 1 3.095 1 3 -19.5582782252185 754993 CC1=CC(=NC2=C1C(=NN2C3=CC=CC=C3)C)C 1 3.356 3 0 -0.240707793126589 754985 CC1=CC=C(O1)CCC(=O)NC2=CC=C(C=C2)Br 1 2.973 1 2 -6.54281582401538 754981 CC1=C(C=C(C=C1)C2=NN(C(O2)(C)C)C(=O)C)[N+](=O)[O-] 1 1.619 3 4 0 -9.49900637854847 754977 CC(=O)N1C2(CCCC2)OC(=N1)C3=CC4=CC=CC=C4C=C3 1 3.081 2 2 -4.71847137479391 754976 CC(=O)N1C(OC(=N1)C2=CC3=CC=CC=C3C=C2)(C)C 1 2.147 2 2 -2.32191009812338 754961 CC(C)N1C2=CC(=C(C=C2N(C1=O)C(C)C)OC)[N+](=O)[O-] 1 2.435 3 4 0 -4.94010517482521 754956 CC1=CC(=C(N1C2CC2)C)C(=S)N3CCOCC3 1 2.435 2 1 -8.60444059066936 754954 COC1=CC=C(C=C1)C=NNC(=O)NC2=NON=C2N 1 0.711 6 3 0 -10.2871165788869 754945 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)C(F)(F)F 1 3.262 3 2 -0.47710079201886 754937 CC1(COC(=N1)NC2=CC=C(C=C2)Cl)C 1 2.919 2 1 6.6220213041661 754924 C1=CC(=CC=C1C2=NC3=C(S2)C=CC(=C3)N)N 1 2.345 3 0 8.93106361709134 754914 CC1(COC(=N1)NC2=CC(=CC=C2)Cl)C 1 2.919 2 1 7.94163312181731 754910 CC1=CC2=C(C=C1)N3C(=NC(=O)N(C3=O)C4=CC=CC=C4)S2 1 4.603 3 2 -4.78405626595706 754909 CC1=NN=C(S1)SCC(=O)NC2CCCCC2 1 2.024 3 1 -20.095636234346 754908 CC1=CC2=C(C=C1)N3C(=NC(=O)N(C3=O)C4=CC(=CC=C4)Cl)S2 1 5.268 3 2 -0.71629045152054 754906 CC1=CC2=C(C=C1)N3C(=NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)S2 1 5.268 3 2 -2.70075438022801 754905 C1=CC=C2C(=C1)N3C(=NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)S2 1 4.782 3 2 -1.91821626638271 754904 CCC1CCC(CC1)C2=NN=C(O2)C3=CC=C(C=C3)Br 1 4.972 2 1 -1.23268964611654 754902 CN1C=NC2=C(C1=O)N3CCCC3=N2 1 0.396 4 1 0 -2.65910194694478 754900 COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N=CN3 1 2.497 2 2 -2.40270880475329 754891 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)O 1 1.832 1 3 0 -8.38959298770574 754884 CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=CC=CC=C2C(=O)O)C 1 4.02 0 4 -6.74403757407789 754873 COC(=O)CC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3 1 2.64 0 4 -7.83563190998707 754868 CC1=C(C(=C(N1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)N)C(=O)N 1 2.802 3 2 -3.22513283525415 754865 CC1=CC=C(C=C1)CN2C(=C(CC2=O)C(=O)OC)C 1 1.848 1 3 0 -7.69666440544952 754863 CC1=C(CC(=O)N1CC2=CC=C(C=C2)OC)C(=O)OC 1 1.345 1 4 0 -7.75256117135042 754857 CC1=CC=CC(=C1)C(=O)ON=C(C2=CC=CC=C2)C3=CC=NC=C3 1 4.124 2 2 -1.01449879146964 754856 CN1C2=CC=CC=C2C(=NOC(=O)C3=CC=CC=C3Cl)C1=O 1 3.095 2 3 5.83922179086327 754851 CC1=CC=CC=C1C(=O)ON=C2CCC3=C2C=CC(=C3)OC 1 3.919 1 3 -0.62025208067217 754847 COC1=CC2=C(C=C1)C(=NOC(=O)C3=CC=CC=C3F)CCC2 1 4.095 1 3 -0.794731690407459 754842 COC1=CC=CC=C1C(=O)ON=C(C2=CC=CC=C2)C3=CC=NC=C3 1 3.622 2 3 -1.69441637029534 754839 COC1=CC=C(C=C1)CC2=C(NC(=S)NC2=O)O 1 2.439 2 3 -6.23495128136246 754838 C1=CC=C(C=C1)C(=NOC(=O)C2=CC=CC=C2F)C3=CC=NC=C3 1 3.843 2 2 -0.99426245847964 754825 C1=CC2=C3C(=C1)C(=O)NC3=C(C=C2Br)Br 1 3.189 1 1 -1.55047585697374 754823 C1=CC=C(C=C1)CC2=NN=C(S2)N 1 1.517 3 0 0 -2.35195790473456 754808 C1CC2=C(C1)N=C3C(=CNN3C2=O)C4=CC=CC=C4 1 1.392 3 1 0 -3.6405940568941 754807 C1C(=NC2=CC=CC=C2NC1=O)/C=C/C3=CC=CC=C3 1 3 2 1 -5.17696206268173 754802 COC1=CC=C(C=C1)C2=NN3C(=C2)N=CC(=C3N)C4=CC=CC=C4 1 3.344 4 1 0.705209679068238 754796 CC1=NC2=CC(=NN2C(=C1)N)C3=CC=C(C=C3)OC 1 2.108 4 1 -1.94353705913128 754790 CC1=NC2=C(C=NN2C(=C1)N)C3=CC=C(C=C3)Cl 1 2.361 4 0 -1.02978781186727 754789 CC1=NC2=C(C(=NN2C(=C1)N)C)C3=CC=C(C=C3)Cl 1 2.643 4 0 0.141954353483692 754782 CC1=C(C2=NC(=C(C(=O)N2N1)CC3=CC=CC=C3)C)C#N 1 1.602 4 1 0 -10.1179003865806 754780 CC1=C(C(=O)N2C(=N1)C(=CN2)C#N)CC3=CC=CC=C3 1 1.089 4 1 0 -10.799049381456 754779 C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2C(=O)C3=CC=C(C=C3)F 1 3.495 2 2 -4.94160783959112 754776 CCC1=C(N=C2C(=CNN2C1=O)C3=CC=CC=C3)C 1 1.696 3 1 0 -3.4443791561056 754770 CC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=CC=C3 1 0.793 3 1 0 -1.63785986317838 754768 CC1=C(C=NC2=CC(=NN12)C3=CC=C(C=C3)OC)C(=O)C 1 2.056 3 2 -3.5431614486225 754766 CC1=C(C=NC2=C(C(=NN12)C)C3=CC=CC=C3)C(=O)C 1 1.926 3 1 0 -5.94760261093594 754764 CCOC(=O)C1=C(N2C(=C(C=N2)C3=CC=CC=C3)N=C1)C 1 2.108 3 2 -7.53645090055546 754762 CCOC(=O)C1=C(N2C(=C(C=N2)C3=CC=C(C=C3)Cl)N=C1)C 1 2.772 3 2 -5.23993579365344 754757 CCOC(=O)C1=C(N2C(=CC(=N2)C)N=C1)C3=CC=CC=C3 1 2.536 3 2 -5.20265229338401 754754 CC1=NC2=C(C(=NN2C(=C1)C3=CC=CC=C3)C)C#N 1 2.494 4 0 -4.35626278987021 754753 C1CC(CCC1C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O 1 4.724 0 2 -0.661524321186856 754748 CC1=NC2=C(C(=NN2C(=C1)C3=CC=CC=C3)C)C4=CC=CC=C4 1 4.133 3 0 -1.38508406562806 754738 CC1=CC=CC=C1C2C(=O)C3=CC=CC=C3C2=O 1 3.305 0 2 -3.16542021352115 754737 CCOC(=O)CC1=C(N2C(=C(C=N2)C3=CC=C(C=C3)Cl)N=C1C)C 1 3.09 3 2 -9.11987332503887 754733 CCOC(=O)CC1=C(N2C(=C(C=N2)C3=CC=CC=C3)N=C1C)C 1 2.425 3 2 -11.4163884319409 754731 CC1=CC(=NC2=CC(=NN12)C3=CC=C(C=C3)OC)C 1 2.598 3 1 -4.55883736693638 754722 CC1=NN2C(=C1)N=C3CCCCC3=C2C(F)(F)F 1 3.276 3 0 -4.81106393707875 754702 CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCCC3 1 4.063 2 1 -4.62291718334655 754689 COC1=CC=C(C=C1)/C=C/2\CCCC(=C2O)C(=O)C(F)(F)F 1 4.007 0 3 -4.11453980887375 754662 CC(C)(C(=O)N1CCC(CC1)C(=O)N)OC2=CC=C(C=C2)Cl 1 2.013 2 3 -2.29688568571993 754624 C1CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2C1 1 2.489 3 3 -5.77155355941986 754594 C1=CC=C2C(=C1)NC(=O)C(=N2)C3=C(C=CC(=C3)Br)N 1 2.509 3 1 -6.57238673837077 754580 C1COCCN1C(=O)C2=C(C=NN2)[N+](=O)[O-] 1 -0.439 4 4 0 -10.1909277194419 754572 C1CCC(CC1)N(C2CCCCC2)C(=O)C3=CC=C(C=C3)C(=O)NO 1 3.975 2 3 -6.03134611878327 754562 C1=CC(=CN=C1)/C=C/2\C(=O)NC(=S)N2C(=O)C3=CC=C(C=C3)F 1 2.345 3 2 -5.82041791206766 754552 CC(=O)NC1=C(C=C(C(=C1)C(=O)N)Cl)Cl 1 1.281 2 2 0 -4.42646019486283 754531 C1CCC(CC1)CCC(=O)NNC(=O)C2=NC=CN=C2 1 1.162 4 2 0 -14.5824859612157 754530 C1=CC(=CC=C1C(=O)NNC(=O)C2=NC=CN=C2)Cl 1 0.663 4 2 0 -5.44126527447267 754515 C1CCC2=C(C1)C(=C(S2)N3C=CC=C3C=O)C(=O)O 1 3.556 1 3 -6.50989283299968 754514 COC1=CC=C(C=C1)CC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.408 1 4 -11.1448080253356 754512 COC1=CC(=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)OC 1 2.356 1 5 -11.5483497301922 754510 COC1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)OC 1 2.367 1 5 -11.3693084665766 754509 COC1=C(C=C(C=C1)C(=O)NCCN2CCOCC2)OC 1 0.831 2 4 0 -14.1683960400839 754503 COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N4CCCC4=N3 1 3.037 2 2 -6.24049582514173 754500 CC1=CC2=C(C=C1)N=C(C(=N2)C(=O)O)C(=O)O 1 1.896 2 4 0 -1.11394998760681 754494 CC1=NN=C(S1)NC(=O)CSC2=NC=CN2C 1 0.377 5 1 0 -15.5448966315077 754482 CCN1C(=NNC1=S)C2=CC3=C(C=C2)NC(=C3C)C 1 3.375 4 0 -0.330546369932557 754479 CCN1CN(CNC1=S)CC2=CC=CO2 1 2.229 3 1 -5.93084971686011 754478 C1NC(=S)N(CN1CC2=CC=CO2)C3=CC=CC=C3 1 3.552 3 1 -5.47770991290008 754459 CC(=O)OC1=CC=C(C=C1)/C=C\2/CCC3=CC=CC=C3C2=O 1 4.03 0 3 -0.272046429035 754455 CCOC(=O)N1C=CC(=N1)C(=O)NC2=CC=CC=C2F 1 2.674 3 3 -7.33638714709252 775478 CC1=CC2=C(C=C1C)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 2.795 3 3 -9.32546079755806 775475 CCC1=NC(=CN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C 1 2.179 3 4 0 -6.99742858935899 775470 CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2CCCCCC2 1 4.135 1 2 -7.80848311636688 775437 CC1=CC=CC=C1/C=C/C(=O)N2CCOCC2 1 1.885 1 2 0 -5.47336972785688 775421 CC1=C(SC=C1)C=NNC(=O)C2=NNC(=C2)C(C)(C)C 1 3.687 4 1 -2.83032516412527 775402 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=C(C=CC=C2Cl)F 1 4.426 1 1 -6.5662348163924 775387 CC1=CC=CC=C1NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 1.022 5 3 0 -22.3138447080946 775384 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCC4=CC=CC=C43 1 0.817 5 3 0 -24.8528438508485 754450 CCOC(=O)C1=CC(=C(NC1=O)C)C(=O)OCC 1 0.518 1 5 0 -9.18016494528515 754445 C1=CC=C(C(=C1)NC(=O)C2=CC=NN2)F 1 1.555 3 1 0 -4.78815945728845 754442 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=NN2 1 1.244 4 3 0 -5.67963783949731 754420 C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(S3)N)Cl 1 2.656 3 2 -5.13950890996778 754416 COC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=CC(=CC=C3)Cl 1 3.429 3 2 -0.675095531630476 754403 C1CC2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)C4=CC=C(C=C4)Cl)N 1 4.417 2 1 -8.71325950626491 754401 CC1=C(C2=C(C=C1)NC(=N2)SCC(=O)N3CCOCC3)C 1 2.354 3 2 -6.93324800453914 754396 C1=CC(=CC(=C1)C(=O)O)C(=O)C2=CC(=CC=C2)C(=O)O 1 2.493 0 5 -4.21207097574867 754393 CC(=O)NCN1CCN(CC1)CNC(=O)C 1 -1.374 4 2 0 -4.59746551195422 754376 CC1=NC=C(C=C1)C2=NC3=CC=CC=C3N2 1 2.402 3 0 3.33301156862235 775382 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=CC=C3OC 1 0.52 5 4 0 -23.2808666796576 775376 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3CCCCC3 1 0.818 5 3 0 -23.2254273900465 775372 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCCCC3 1 0.539 5 3 0 -22.4265058196966 775360 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)Cl 1 3.371 2 1 0.699136966744446 775354 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.349 1 5 -9.05271658393233 775346 COC1=C(C=C(C(=C1)C(=O)NC2=CC=NC=C2)[N+](=O)[O-])OC 1 1.325 3 5 0 -9.68407529601499 775344 COC1=C(C=C(C(=C1)C(=O)N2CCCC3=CC=CC=C32)[N+](=O)[O-])OC 1 3.213 2 5 0 -12.8202453563783 775341 COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 2.459 2 6 0 -12.1735818468719 775333 CC1=CC(=O)N(C(=S)N1)CNC(=O)C2=CC=CC=C2 1 1.64 3 2 0 -12.0274045871056 754332 C1=CC=C(C=C1)/C=C/C2=CC(=O)C3=CC=CC=C3O2 1 3.604 0 2 1.81261056437386 754318 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.568 2 2 0 -10.6271623334002 775303 COC1=CC=CC(=C1)CNC2CCCC2 1 2.753 1 1 2.73234273827246 775284 COC1=C(C(=C(C=C1)CNC2CCCC2)OC)OC 1 2.72 1 3 1.18461416130088 775281 CC1=CC(=CC(=C1)NCC2=CC(=C(C=C2)OC)OC)C 1 4.161 1 2 -4.34977419826088 775272 CC1=CC(=C(C=C1)OC)NCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.586 2 3 -2.23773883435782 775256 CC1=CC(=C(C=C1)OC)NCC2=C(C(=CC=C2)OC)OC 1 3.659 1 3 -0.767016145641151 775250 COC1=CC(=CC(=C1)CNC2CCCC2)OC 1 2.736 1 2 -0.185774901883974 775241 CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)OC)C 1 4.178 1 1 -0.156449570941564 775230 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CC=NC=C3 1 2.001 4 1 -5.21422515069308 775227 COC1=CC=C(C=C1)CNC2=CC=C(C=C2)Br 1 3.954 1 1 -0.382182185535455 775226 CC1=CC(=C(C=C1)C)NCC2=C(C(=C(C=C2)OC)OC)OC 1 4.145 1 3 -0.217989839672305 754288 CC1(CC2=CC=CC=C2C3=NN=C(N31)C(F)(F)F)C 1 3.331 3 0 0.689976356971891 754268 C1CN(CCN1CC2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)Cl 1 3.398 3 3 7.41932620338036 754251 CC(C)C(=O)NC1=C2CCN(C2=NC3=CC=CC=C31)C 1 2.422 3 1 -6.08957432891715 754229 C1CN(CCN1CC2=CC(=CC=C2)Br)C3=NC=CC=N3 1 2.403 4 0 6.60439706418129 754221 C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CO4 1 2.379 3 2 1.35298431349601 754219 CC1CCN(CC1)C2CCN(CC2)C(=O)C3=CC=CC=C3F 1 2.729 2 1 -6.12172564845674 775206 CC1=CC=C(O1)C=NNC(=O)C2=CC(=CC=C2)NC(=O)C 1 1.344 3 3 0 -8.87666065624371 775204 C1=CC=NC(=C1)C=NNC(=O)C2=CC=C(C=C2)Br 1 2.709 3 1 -2.91553087124958 775202 CC1=CC=CC(=N1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C 1 2.712 4 1 -4.75349338249133 775201 CCC(CC)NCC1=C(C=C(C=C1)OC)OC 1 3.108 1 2 1.53350318499794 775179 CC1=CC(=C(C=C1)C)NCC2=CC=CC=C2OC 1 4.178 1 1 -0.366528213990652 775174 CC1=CC(=C(C=C1CNC2CCCCC2)C)OC 1 4.182 1 1 4.71422628837449 775170 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CC=CC=N3 1 2.43 4 1 -3.75774962636714 775163 CC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)F 1 2.009 3 2 -7.8383820178306 775160 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 2.995 1 4 -3.36404397972467 775158 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(C(=CC=C3)Cl)Cl 1 3.729 1 3 -6.79542339607709 775157 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CC=CO3 1 2.547 3 2 -5.47020397044616 775147 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=C3CCCCC3 1 2.877 3 1 -8.82210996283595 775145 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.046 4 3 0 -7.12237285591217 775140 CN1C=CC=C1C=NNC(=O)C2=CC3=CC=CC=C3C=C2O 1 2.94 3 2 -2.4049298173822 775139 CC(C)C1=CC=C(C=C1)/C=C(/C)\C=NNC(=O)C2=CC=NC=C2 1 3.533 3 1 -6.58858498440581 775138 CC(C)C1=CC=C(C=C1)/C=C(\C)/C=NNC(=O)C2=CC=NC=C2 1 3.533 3 1 -6.58858498440581 775127 CCOC(=O)NN=CC1=CC=C(O1)C2=C(C=CC(=C2)Cl)Cl 1 4.544 2 3 0.461340222590318 754216 C1CN(CCC1N2CCOCC2)C(=O)C3=CC=C(C=C3)F 1 1.248 2 2 0 -3.41451768037296 754209 COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCC3)N)C#N)OC 1 3.356 3 2 -5.72102192224637 754185 CC(=O)NC1=CC=C(C=C1)CN2CCCCCCC2 1 2.853 2 1 -1.89902354226261 754175 CC(C)C1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 2.969 3 1 -13.4523648824752 754150 C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=CC=C3 1 3.389 3 0 -1.35854524833767 775111 C1=CC=NC(=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.855 4 3 0 -6.80852921969438 775100 CC1=CC=C(C=C1)CSCC(=O)N2CCOCC2 1 1.818 1 2 0 -12.0747154274761 775093 C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC(=CC=C3)Br 1 3.281 2 1 -3.29079116385445 775092 CN(C)C1=CC=C(C=C1)C=NNC(=S)NCC2=CC=CC=C2 1 3.977 4 0 -9.87682757901379 775089 COC1=CC=C(C=C1)NC(=O)/C(=C/C=C/C2=CC=CO2)/C#N 1 2.768 2 3 -8.77522222935154 775050 CC1=CC(N(C(=O)N1C2=CC=C(C=C2)Cl)C)(C)C 1 2.872 2 1 -4.81140868497387 754129 CCOC(=O)C1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl 1 3.908 1 2 0.739243969501512 754128 CC1=CC(=NN1C(=O)C2=CC(=CC(=C2)OC)OC)C 1 2.323 2 3 -9.34501511216306 754124 C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)Cl 1 3.905 2 0 8.72695764868842 754118 C1CN(CCN1CC2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)F 1 2.939 3 3 6.30920453825879 754113 CC1=CC(=NN1C(=O)C2=CC=CC=C2OC)C 1 2.34 2 2 -9.27375119100403 754098 CCNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C 1 1.676 4 1 0 -18.1708727309941 754097 COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NCC3=CC=CC=C3 1 4.39 3 1 -7.70678662321292 754096 COC1=NN2C(=NN=C2C3=CC=CC=C3)C=C1 1 2.3 4 1 -3.43655769632706 754089 COC1=CC=CC=C1N2C(=O)C3=C4C(=CC=C5C4=C(CC5)C=C3)C2=O 1 3.931 1 3 -4.40944778088824 754088 CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)OC)[N+](=O)[O-] 1 2.489 3 4 0 -6.32017623367581 754087 CCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3OC 1 3.262 2 2 -7.29569879652659 754084 CN1CCCN(CC1)CC2=CC=CC=C2Br 1 2.671 2 0 4.96983626492008 754067 CC(=O)N(C1=CC=C(C=C1)OC(=O)C)S(=O)(=O)C2=CC=CS2 1 1.861 1 5 0 -7.13573574060499 775040 C1=CC=C(C=C1)NC(=O)/C(=C/C2=CN=CC=C2)/C#N 1 1.771 3 1 0 -12.2445142264681 775022 CC1=C(C=C(C=C1)NC2=CC(=O)NC(=O)N2)Cl 1 2.205 3 2 -6.63822972444183 775007 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NN=CC2=CC=CO2 1 1.972 3 4 0 -8.59200233426102 775004 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC=CC=C2)C 1 1.777 2 1 0 -12.5649151035202 774989 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CCC3=CNC4=CC=CC=C43 1 3.236 3 3 -12.2406312979077 774985 COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)F 1 3.343 0 3 1.50421325161918 774982 CC(=O)C1=C(C=CC(=C1)OC)OC(=O)C2=CC=C(C=C2)Cl 1 3.649 0 4 -7.18315168427419 774927 CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)C 1 3.372 1 3 -8.1749319214042 754053 CC1=C(C=CC(=C1OC)CN2CCSCC2)OC 1 2.789 1 2 4.37044799295662 754043 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C(C(=C2)C)C)C 1 4.108 1 3 -0.920297104791974 754039 CN1C=NN=C1SCC(=O)NC2=CC=CC=C2 1 1.119 4 1 0 -18.1794098183584 754032 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=C(C=C2)O)C 1 3.534 1 3 3.20592065812263 774920 CC1=CSC(=N1)NC(=O)C2=CC3=CC=CC=C3O2 1 2.489 2 2 -0.186791842775247 774918 CCC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CN=CC=C3 1 1.917 3 2 0 3.06113433081523 774975 COC1=C2C3=C(C4=CC=CC=C4C2=O)ON=C3C=C1 1 2.988 1 3 3.50269417435659 774969 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)N 1 2.065 3 1 8.23927212037263 774966 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4 1 3.479 2 3 -7.2864702311447 774956 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 3.108 3 4 0 -2.49559507137607 774879 C1=CC(=C(C=C1C2=NC3=C(N2)C=C(C=C3)N)Cl)N 1 2.441 4 0 9.75074348086375 774880 CCC(=O)NC1=CC=CC(=C1)C2=NC3=C(O2)C=C(C=C3)C 1 3.554 2 2 7.25851552876818 774884 CCCC(=O)NC1=CC=C(C=C1)N2CCOCC2 1 1.923 2 2 0 -10.2068387380492 774885 CCCC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2 1 3.524 2 2 1.82407454704442 774892 CC1=CC(=C(C(=C1)C)NC(=O)CN2CCCCCC2)C 1 3.788 2 1 -5.89637811050074 774902 C1CC(=O)C2=CC=CC=C2S(=O)(=O)C1 1 1.351 0 3 0 -3.74221526050795 774910 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3 1 1.314 3 2 0 -5.94773437837386 774903 CN1CCC(=NOC2=CC=C(C=C2)[N+](=O)[O-])CC1 1 1.848 3 3 0 1.27998760462066 753944 C1CCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2CC1 1 3.402 3 3 -5.62818036484086 754001 COC1=CC2=C(C=C1)N=C(N2)C3=CC(=CC=C3)N 1 2.507 3 1 8.5488381285197 753989 CC(=O)NCC1(CCOCC1)C2=CC(=C(C=C2)OC)OC 1 1.066 1 4 0 -19.2256398245032 753911 CCOC(=O)C1=C(C2=C(O1)CCCC2=O)C 1 2.306 0 4 -8.20319562769818 753926 COC1=CC=C(C=C1)NN=C2CCCCC2=O 1 2.577 2 2 -8.25286547268622 753932 C1CCC(=NNC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)CC1 1 4.617 2 2 -9.03153554690094 753891 CCOC(=O)C1=C(C2=C(S1)N=C(C=C2)C3=CN=CC=C3)N 1 2.285 3 2 -6.90703603563654 753886 C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC=CS3 1 2.714 2 3 -14.0636441162527 753840 CC1=CC(=NC2=CC=CC=C12)SCC(=O)O 1 3.064 1 2 -4.02275939409943 753837 C1=CC=NC(=C1)SC2=CC=C(O2)C=NNC(=O)C3=CC(=CC=C3)F 1 3.915 3 2 -6.41804718720052 753835 CN(C)C(=O)NC1=CC2=CC=CC=C2N=C1 1 1.338 3 1 0 0.683208021213964 753833 CC1=CC(=NN1C(=O)C2=CC(=C(C=C2)OC)OC)C 1 2.323 2 3 -10.5925874796601 753832 CC1=C(N(N=C1C)C(=O)CNC(=O)C2=CC=CC=C2)C 1 1.902 3 2 0 -8.581541424246 753830 CC1=C(N(N=C1C)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C 1 2.793 2 4 -5.3732347987793 753816 COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC=CC=C2 1 2.044 1 5 -12.8541355794555 753815 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 3.282 1 5 -16.1395429622687 753814 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3 1 1.975 1 5 0 -11.0080985804555 753813 COC(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=CC=C3)C(F)(F)F 1 3.704 3 2 -10.8491899249717 753811 CCNC1=NC(=NC(=N1)N(CC(=O)OC)C#N)NC(C)C 1 0.438 7 2 0 -14.2343611079943 753810 C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(S2)Cl 1 2.435 1 3 -3.06086333382258 753792 C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC=CC=C3F 1 3.27 3 1 -7.78326293159324 753790 C1=CC=C2C(=C1)N=C(N2CC(=O)NN)C3=CC=CC=N3 1 1.116 5 1 0 -3.48115817048457 753731 C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=C(C=CC(=C3)O)[N+](=O)[O-] 1 2.121 3 6 0 -7.90486197140338 753734 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC3=C(C=C2)OCO3)C 1 1.546 2 3 0 -14.0665061945757 753735 COC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)OCO3 1 2.694 1 4 -8.91558474313433 753712 CC1=CC=C(C=C1)N(CC2=CC(=C(C=C2)O)OC)C(=O)C3=CC=CO3 1 4.027 1 4 -1.81065823574731 753711 CC1=CC=NN2C1=C3C(=C2C4=CC=CC=C4)C(=O)N(C(=O)N3C)C 1 2.637 4 2 -8.72395996956156 753710 CC1=CC=NN2C1=C3C(=C2)C(=O)N(C(=O)N3C)C 1 0.69 4 2 0 -11.0802061353358 753706 CC1=C(C(=O)N(C(=O)N1C)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.172 3 5 0 -12.6434630018344 753700 C1=COC(=C1)/C=C/C=C\2/C(=O)OC(=N2)C3=CC=C(C=C3)Cl 1 3.84 1 3 0.754049252191453 753642 CC(C)C1=CC(=C(C=C1)O)NC(=O)C2=CN=CC=C2 1 2.416 2 2 -1.82950114837201 753651 C1=CC2=C(C(=C1)OCC(=O)N)N=CC=C2 1 0.853 2 2 0 -9.20225868852594 753654 CC1=CC(=C(C=C1)OCC(=O)NC2CC(NC(C2)(C)C)(C)C)C 1 2.585 2 2 -11.6304888204214 753655 CC1=CC(=CC(=C1Cl)C)OCC(=O)NCCN2CCOCC2 1 2.336 2 3 -9.41739759533392 753694 CC1=CC(=NC2=C1C(=C(S2)C(=O)OC)N)C 1 1.909 2 2 0 -4.6164404719003 753685 CC1=CC(=CC(=C1)N2C=C3C(=C2)N(C(=O)N(C3=O)C)C)C 1 2.825 3 2 -6.24380247140414 753683 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O 1 3.282 1 5 -14.9508158253854 753672 CN1C2=CN(C=C2C(=O)N(C1=O)C)C3=CC=CC=C3 1 1.852 3 2 0 -7.05724791755293 753671 CN1C2=CN(C=C2C(=O)N(C1=O)C)CC3=CC=C(C=C3)Cl 1 2.523 3 2 -7.02576673182081 753638 CC1=CC(=C(C=C1)NC(=O)C2=CC(=CN=C2)Br)O 1 2.456 2 2 -1.15674239155728 753633 C=CCC1=C(C(=CC=C1)CNC2=CC3=CC=CC=C3N=C2)O 1 4.174 2 1 1.77873706897338 753631 COC1=CC=CC(=C1O)CNC2=NC=CS2 1 1.488 2 2 0 1.56280612977846 753629 CCOC(=O)CSC1=C(C=C(C(=N1)N)C#N)C#N 1 1.366 4 2 0 -15.1708685921162 753628 COC1=CC=CC(=C1O)CNC2=CC3=CC=CC=C3N=C2 1 3.15 2 2 4.88232347194022 753627 COC1=CC=CC(=C1O)CNC2=CC=CC3=C2N=CC=C3 1 3.15 2 2 1.24614899373188 753626 C=CCC1=C(C(=CC=C1)CNC2=CC=C(C=C2)Br)O 1 4.736 1 1 -0.852087607921011 753624 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC3=CC=CC(=C3O)CC=C 1 2.803 3 2 -10.7457673838882 753623 CC1=CC(=C(C(=C1)C)NCC2=CC=CC(=C2O)CC=C)C 1 5.446 1 1 -0.482396073955189 753621 C1CN(CC(=O)N1)C(=O)/C=C/C2=CC=CC=C2 1 0.59 2 2 0 -16.6331800967915 753611 CC1=CN2C(=NN=C2S1)C3=CN=CC=C3 1 0.971 4 0 0 -4.46249703409091e-002 753608 C1=CC=C(C(=C1)C(=O)O)N2C=NN=N2 1 0.346 4 2 0 -15.2013167867851 753598 CC1=CC=C(C=C1)NC(=O)NC2=C(N(C(=S)S2)C)C 1 3.8 3 1 -5.6356232736048 753594 CC(=NNC(=O)C1=CC2=C(C=C1)OCCO2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.344 3 5 0 -12.5197958971957 753570 CC1=C(C(=CC=C1)C)OCC2=NN=C3N2C=NC4=C3C=NN4C 1 2.474 6 1 0 -6.03052331710525 753569 CC1=CC=CC=C1OCC2=NN=C3N2C=NC4=C3C=NN4C 1 1.987 6 1 0 -4.0878108704258 753568 CN1C2=C(C=N1)C3=NN=C(N3C=N2)CC4=CC=C(C=C4)OC 1 1.684 6 1 0 -4.75664990426713 753550 C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=CC=C3 1 4.585 2 2 -12.6393759068635 753533 CC1=NN=C(N(C1=O)N)NCCC2=CC=CC=C2 1 0.759 5 1 0 -4.58461692048882 753532 CC1=CC=C(C=C1)S(=O)(=O)NCC2(CCOCC2)C3=CC=CC=C3 1 2.952 1 3 -14.4341551108889 753529 CC1=CC(=CC=C1)NC2=NN=C(C(=O)N2N)C 1 0.917 5 1 0 -0.868911633304888 753527 CC1=C(SC(=S)N1C)NC(=O)NC2=CC=C(C=C2)OC 1 3.297 3 2 -5.86029288841514 753524 CC1=C(SC(=S)N1C2=CC=C(C=C2)Cl)C(=O)C 1 4.236 1 1 -3.00600189090429 753522 CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=CC=CC=N3 1 3.455 2 1 -3.169754344989 753520 CC1=C(SC(=S)N1C)C(=O)NNS(=O)(=O)C2=CC=CC=C2 1 1.914 3 3 0 -11.8723304227388 753519 CCNC(=S)N1CCN=C1NC2=NC(=CC(=N2)C)C 1 1.761 6 0 0 -10.4805842061249 753517 C1CCCN(CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N 1 2.694 6 0 1.27786773103167 753515 C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F 1 2.81 1 2 -13.451980362899 753490 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.139 2 5 0 -17.7310318797307 753487 CN(C1=CC=C(C=C1)O)C2=NC(=O)CS2 1 1.846 2 2 0 -2.29791257271104 753481 CCOC1=CC=C(C=C1)C2=NNC(=S)C3=CC=CC=C32 1 3.852 2 1 -4.77733493296396 753475 CC1=C(C=CC(=C1)Br)OCC2=NC(=NO2)C3=CN=CC=C3 1 3.064 3 2 2.49876687254429 753474 CC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CNC(=O)N2 1 0.154 3 4 0 -16.8268518522454 753415 CCN1CCN(CC1)C(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C 1 3.045 3 1 -7.34648598500344 753417 COC1=CC(=C(C=C1)OC)C=NOC(=O)NC2=CC=C(C=C2)Cl 1 3.683 2 4 1.56926755743124 753418 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NCC2=CN=CC=C2 1 2.966 3 1 -10.2039350156558 753419 CC(C)NC1=NC(=NC(=N1)SC)OC2=CC=C(C=C2)C(=O)OC 1 3.528 4 3 0 -9.37313284982972 753421 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2CC=C)N 1 2.18 4 2 -19.6628422615848 753422 CCOC1=CC=CC=C1NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C 1 2.916 2 4 -9.86051978533797 753423 CC1=NC(=NN1)SCC(=O)NC2=CC=CC=C2C(=O)OC 1 1.405 4 3 0 -15.9414390286931 753426 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=CC(=C2)C)F 1 3.275 2 3 -5.81156377794407 753471 COC1=CC=CC=C1OCC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.858 3 5 0 -2.13635065416361 753453 COC1=CC=C(C=C1)N2C(=O)CSC23CCCCC3 1 2.929 1 2 -3.29192458082166 753452 C1CSC2=NC(=C(C(=O)N21)C#N)C3=CC=CC=C3 1 2.066 3 1 -7.18519737206193 753448 CCC1=CC=C(S1)/C=C\2/C(=O)N(C(=S)N2CC(=O)OC)C 1 3.045 2 3 -7.24274461900539 753444 C1CN(CCN1C2=CC=CC=N2)C(=S)NC(=O)C3=CC=CO3 1 2.86 4 2 -8.4675040381511 753414 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2CCCC2 1 3.935 2 1 -8.88408151495639 753408 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NCC2=CC=C(C=C2)OC 1 4.1 2 2 -7.99661759786588 753404 CN(C)C1=CC=C(C=C1)C=NOC(=O)NC2=CC=C(C=C2)OC 1 3.198 3 3 -2.06799638273492 753402 COC1=CC=C(C=C1)NC(=O)ON=CC2=CC=CC=C2Cl 1 3.7 2 3 1.60253837971836 753401 C1=CC=C2C(=C1)C=CC3=NN=C(N32)C4=C(C=CC=C4Cl)F 1 4.452 3 0 -2.2269060493732 753400 COC1=CC=C(C=C1)NC(=O)ON=CC2=CC=C(C=C2)Br 1 3.784 2 3 0.958628941363115 753399 CN(C)C1=CC=C(C=C1)C=NOC(=O)NC2=CC=CC=C2 1 3.214 3 2 -1.88272726059918 753388 COC1=CC=C(C=C1)NC(=O)N2CCCC3=CC=CC=C32 1 3.243 2 2 -7.05234049890584 753387 CC1=CC2=C(C=C1)N(C3=NC4=CC=CC=C4N=C23)CC(=O)OC 1 3.814 3 2 -4.86582137658404 753361 CC1=CC(=NC2=NC(=NN12)C3=CC=CO3)C 1 1.821 4 1 0 -2.46895086896963 753358 CC1=CC(=NC2=NC(=NN12)C3=CC=C(C=C3)OC)C 1 2.409 4 1 -3.06227535138697 753357 CC1=CC(=NC2=NC(=NN12)C3=CC=C(C=C3)F)C 1 2.631 4 0 -1.93743211677758 753356 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)C3=CC=C(C=C3)F)C)C 1 4.161 1 3 2.21035014522932 753354 C1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)N4C(=O)C5=CC=CC=C5C4=O 1 3.317 5 2 0 -3.93994889216278 753352 CCOC(=O)CN1C=C(C2=CC=CC=C21)/C=C/[N+](=O)[O-] 1 2.365 2 4 2.40263144451606 753342 C1C2=CC=CC=C2CN1C3=CC=C(C=C3)O 1 3.087 1 1 3.35310153264253 753338 CC1=NC2=C(C(=O)N1CC=C)SC3=NC4=C(COC(C4)(C)C)C=C23 1 2.457 3 2 -20.4253080559794 753337 CC1(CC2=C(CO1)C=C3C4=C(C(=O)N(C=N4)CC(=O)N)SC3=N2)C 1 0.615 4 3 0 -20.4052529581792 753335 CC1(CC2=C(CS1)C=C3C4=C(C(=O)N=CN4)SC3=N2)C 1 2.3 3 1 -11.6663396494093 753334 CCN1C=C(C(=N1)C(=O)NCC2=CC=CO2)Br 1 1.979 3 2 0 -11.6448285827366 753332 CC1=CC=C(C=C1)CNC(=O)CN2C(=NC=C2[N+](=O)[O-])C 1 1.332 4 3 0 -17.3285414956031 753324 CC1=NC=C(N1CC(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 1.503 4 3 0 -8.929319776688 753317 CC1=CC=CC=C1NC(=O)CN2C(=NC=C2[N+](=O)[O-])C 1 1.325 4 3 0 -13.5043078376009 753314 CC1=CC=C(C=C1)NC(=O)CN2C(=NC=C2[N+](=O)[O-])C 1 1.325 4 3 0 -10.9396150616086 753310 CC1=NC=C(N1CC2=CC=C(C=C2)Br)[N+](=O)[O-] 1 2.534 3 2 -6.9600495085618 753309 CC1=NC=C(N1CC2=CC=CC=C2F)[N+](=O)[O-] 1 1.991 3 2 0 -8.94718752658092 753293 CC12CN3CC(C1=O)(CN(C2)C34CCOCC4)C 1 0.893 2 2 0 -7.64409536382675 753292 CC1=C(N(C(=N1)C2=CC(=C(C=C2)OC)OC)O)C(=O)C 1 -0.203 2 4 0 -3.77720308891995 753287 COC1=CC=C(C=C1)C2=NN(C(=N2)N)C(=O)C3=CC=CO3 1 2.038 4 3 0 1.98012347610666 753286 COC1=CC=C(C=C1)C2=NN(C(=N2)N)C(=O)C3=CC=CC=C3Cl 1 3.307 4 2 1.22365927454014 753285 CC1CCC2(CC1)N(C(=O)CS2)C3=CC=C(C=C3)F 1 3.403 1 1 -3.17050736614475 753284 COC1=CC=C(C=C1)C2=NN(C(=N2)N)C(=O)C3=CC=C(C=C3)OC 1 2.626 4 3 0 2.08425473522423 753282 CC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)OC)N 1 3.129 4 2 2.91057367744178 753280 COC1=CC=C(C=C1)C2=NN(C(=N2)N)C(=O)C3=CC=CC=C3 1 2.643 4 2 2.11492610993243 753277 COC1=CC=C(C=C1)C2=NN(C(=N2)N)C(=O)CC3=CC=CC=C3 1 2.677 4 2 0.893752487683517 753275 CCCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)N 1 2.101 4 2 -1.93214573102569 753273 CC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)N 1 0.978 4 2 0 1.8501833251218 753272 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2 1 2.937 1 3 -15.3430467492164 753266 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC3=CC=CC=C3C2 1 3.074 1 3 -12.5126964381524 753262 CC1=C(C2=C(N1C3=CC=C(C=C3)C(=O)C)C=CC(=C2)O)C(=O)C 1 3.289 1 3 -2.52365237628142 753260 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCN(CC2)CC(=O)N 1 1.55 4 2 0 -9.97354361476771 753258 CC1=NC2=CC=CC3=C2C(=N1)C4=CC=CC=C4C3=O 1 2.865 2 1 1.72524181413908 753193 CC1CCN(CC1)C(=O)NC2=CC3=NSN=C3C=C2 1 2.449 4 1 -5.38791780463162 753202 CCOC1=CC=C(C=C1)NC(=O)NC2=CC3=NSN=C3C=C2 1 2.983 4 2 -0.724063628890452 753204 COC1=CC=C(C=C1)NC(=O)NC2=CC3=NSN=C3C=C2 1 2.634 4 2 4.21595228175705e-002 753205 CC1=CC(=C(S1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)O 1 3.545 1 2 -1.09552862968993 753236 CCOC1=CC=CC=C1C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 5.018 1 2 -2.49363484739193 753223 C1CCC(CC1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)O 1 2.476 5 2 0 -21.5299972145594 753217 CCOC(=O)CC1=C(N=C2C(=C(NN2C1=O)C)C3=CC=CC=C3)C 1 1.506 3 3 0 -12.4162103109067 753216 CCOC(=O)CC1=C(N=C2C=C(NN2C1=O)C3=CC=C(C=C3)C)C 1 1.749 3 3 0 -8.95836608101823 753213 CCOC(=O)CC1=C(N=C2C=C(NN2C1=O)C3=CC=C(C=C3)Cl)C 1 1.927 3 3 0 -6.94807079609761 753212 CCOC(=O)CC1=C(N=C2C(=CNN2C1=O)C3=CC=C(C=C3)Cl)C 1 1.657 3 3 0 -6.57142606816295 753208 C1CN(CCN1C2=CC=CC=N2)C(=O)COC3=CC=CC=C3Cl 1 2.761 3 2 -3.85454878010495 753206 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CSC4=CC=CC=C43 1 3.123 3 1 -1.91910419797019 753182 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3C=C(C=N3)Br 1 3.223 3 2 -2.01061573826809 753179 CC1=CC=C(O1)C(=O)N2CCCN(CC2)C(=O)C3=CC=C(O3)C 1 1.268 2 4 0 -3.39403766821715 753177 CN1C=C(C=N1)CN(C)C(=O)C2=CC3=CC=CC=C3OC2=O 1 1.507 3 3 0 -9.70430465044065 753174 CC1=CC(=C(C=C1)C)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.328 2 4 -6.24259182373882 753173 COC1=CC=CC(=C1)NC(=O)NC2=CC3=NSN=C3C=C2 1 2.634 4 2 0.17935544373499 753172 C1CCN(C1)C(=S)NC2=CC3=NSN=C3C=C2 1 3.637 4 0 -7.56149229488349 753170 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NCC3=CC=CC=N3 1 1.699 2 4 0 -15.8182051912499 753169 COC1=CC=C(C=C1)NC(=S)NC2=CC3=NSN=C3C=C2 1 4.478 4 1 -1.12536402692955 753167 CN(C1=CC=C(C=C1)OC)C(=O)NC2=CC3=NSN=C3C=C2 1 2.84 4 2 0.263211209966738 753163 C1C=C(C(=O)O1)NNC(=O)C2=CN=CC=C2 1 -0.766 3 3 0 -6.4978716250192 753153 CC1=NN2C(=C(C=NC2=C1C3=CC=C(C=C3)Cl)C#N)N 1 2.239 5 0 -2.14158198255425 753151 CCCC1=CC(=O)N2C(=N1)C(=C(N2)C)C3=CC=C(C=C3)Cl 1 2.951 3 1 -2.51668463693513 753150 CC1=CC(=O)N2C(=N1)C(=C(N2)C)C3=CC=C(C=C3)Cl 1 1.972 3 1 0 -2.88961389211809 753149 CC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C 1 3.133 3 0 -1.95065091951464 753142 CC1=NC2=C(C=CC=C2NC(=O)C(F)(F)F)C=C1 1 2.507 2 1 -3.88708492424582 753141 CC1=CC(=NN1CC(=O)N2CCSCC2)C(F)F 1 1.205 3 1 0 -10.5686853866305 753120 C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4Cl 1 3.486 2 3 3.3143616141428 753119 CC1=C(C=NC2=C(C(=NN12)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C 1 3.59 3 1 -3.22210615439013 753118 CC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O 1 4.44 1 2 1.45380300762766 753116 CC1=CC=C(O1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O 1 3.882 1 3 2.16500970285321 753113 C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)F)C(=O)C3=CC(=CC=C3)F 1 2.598 2 2 -2.9546739478732 753110 CC1=NN2C(=C3CCCC3=NC2=C1C4=CC=CC=C4)C(F)(F)F 1 4.339 3 0 -1.18871354693363 753105 CC1=CC2=NC(=C(C(=O)N2N1)CC3=CC=CC=C3)C 1 1.763 3 1 0 -9.19827136920533 753099 CCC1=C(N=C2C=C(NN2C1=O)C)C 1 0.731 3 1 0 -8.58112398870977 753089 C1CN(CCN1C/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.955 2 2 -9.32128742101182 753086 CN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)Cl)N(C1=O)C 1 2.622 4 2 -10.2768156720261 753077 CC1=CC(=NO1)NC(=O)C2=NC(=CC=C2)C(=O)NC3=NOC(=C3)C 1 1.383 5 4 0 -16.4717419996712 753072 CC1=C(C2=CC=CC=C2N1C)C=NNC(=O)C3=CC4=CC=CC=C4O3 1 3.923 3 2 -0.824066848437987 753067 C1CN(CCN1CCNC(=O)C2=CC=CS2)C(=O)C3=CC=CS3 1 1.964 3 2 0 -13.8304448923325 753066 CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)N(C)C)C)[N+](=O)[O-] 1 1.601 5 3 0 -11.2257439060024 753065 CC1=CC(=C(C(=C1)C)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C 1 5.333 1 2 -6.00574929936236 753058 CN1C2=CC=CC=C2N=C1C3=NON=C3N 1 1.501 5 1 0 -0.311791490981433 753050 CCC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)O 1 4.358 1 2 -4.42973493794642 753037 COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=CC=CC=C3 1 3.348 2 2 -5.71846505537052 753023 C1C(CS1)OC2=CC=C(C=C2)C(=O)O 1 1.904 0 3 0 -3.44791557456531 753020 COC1=CC=CC=C1OC(=O)C2=CC3=NSN=C3C=C2 1 3.373 2 3 -4.90278717153508 753016 COC1=CC=C(C=C1)OC(=O)C2=CC3=NSN=C3C=C2 1 3.373 2 3 -3.3469164411193 753013 CN(C)C1=CC=C(C=C1)NC(=O)C2=CC3=NSN=C3C=C2 1 2.904 4 1 -3.93227255255594 753011 C1CCN(C1)C(=O)C2=CC3=CC=CC=C3C(=O)O2 1 1.479 1 3 0 -6.9152833801399 753001 CC1=CC(=NO1)NC(=O)/C=C/C2=CC=C(C=C2)OC 1 2.204 2 3 -12.9345207895459 752992 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCC(=O)O 1 2.174 2 3 -4.8342673946929 752989 CCOC(=O)/C=C/1\CC(=O)NC2=C(N1)C=C(C(=C2)C)C 1 2.035 2 3 -7.34551629687722 752982 C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=NC=CN=C3)F 1 1.891 4 1 0 -2.35526897020922 752980 CC1=NC2=C(C(=C1C#N)C3=CC=CC=C3)C(=O)C4=CC=CC=C42 1 3.88 2 1 0.466905784951712 752976 CCSC1=NN=C(S1)NC(=O)C2=NC=CN=C2 1 0.648 5 1 0 -18.1169939221184 752974 CC1=CC(=NO1)NC(=O)C2=C(C=CC=C2OC)OC 1 1.72 2 4 0 -15.1869992198766 752969 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=NC=C3 1 2.055 3 2 -4.71445753404241 752962 C=CCN(CC=C)C(=O)C1=CC2=CC=CC=C2C(=O)O1 1 2.251 1 3 -12.287141252302 752950 C1=CC=C2C(=C1)C=C(OC2=O)C(=O)NCC3=CC=CO3 1 1.577 1 4 0 -9.58781551753543 752948 CN1C=C(C(=N1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3)Cl 1 3.535 4 1 -4.94198359733889 752943 CC1=C(C=C(C=C1)C(=O)ONC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 3.377 2 5 0 -5.44667756980772 752941 C1CN(CCN1CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)Cl 1 3.284 2 2 -0.609311937714578 752935 CC1=CC(=NN1CC(=O)N(C)C2CCCCC2)[N+](=O)[O-] 1 2.182 4 3 0 -15.3245174760571 752934 CC1=CC(=NN1CC(=O)NC2=CC3=CC=CC=C3N=C2)[N+](=O)[O-] 1 1.881 5 3 0 -9.75444810182466 752925 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CC=CS3 1 3.206 2 1 -3.21268363475618 752905 CC1=CC(=C2C(=C1)OC=C2CC(=O)O)C 1 2.77 0 3 -3.03042588159979 752864 CC1=C(C(=NN1C)C2=NNC(=S)N2CC3=CC=CO3)Cl 1 2.755 5 1 -2.17785602109475 752859 CN1C=C(C(=N1)C2=NNC(=S)N2C3=CC=CC=C3)Cl 1 3.421 5 0 -0.950512741622452 752857 CC1=NC2=C(C(=NN2C(=C1)C(C)(C)C)C)C3=CC=CC=C3 1 4.015 3 0 -3.023804972858 752855 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=NN(C=C3Cl)C 1 3.907 5 0 -0.689209546480219 752847 CC1=C(C(=O)N=C(N1C2=CC=CC=C2C(=O)O)C)C3=CC=CC=C3 1 2.657 2 3 -5.61549197055336 752844 CC1=C(C(=O)N=C(N1C2=CC=CC=C2OC)C)C3=CC=CC=C3 1 3.011 2 2 -4.68571884071392 752839 CC1=C(C(=NO1)C)C(=O)NC2=NN=C(S2)C3=CC=CC=C3 1 1.895 4 2 0 -12.6580159047914 752838 CCN1C(=NNC1=S)CCN2C=CN=C2C 1 0.904 5 0 0 -5.33457689465213 752835 CC(=NO)C1=CC2=C(C=C1)C3=CC=CC=C3N2C 1 3.336 2 1 6.22794202960652 752833 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=NN(C(=C3)C)C 1 3.388 5 0 -5.25990185119356 752827 CC1=CC(=NN1C)C2=NNC(=S)N2C3=CC=C(C=C3)F 1 3.108 5 0 -4.3597282313945 752826 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=NN(C(=C3Cl)C)C 1 4.053 5 0 -2.09764887491244 752812 CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1CO)C3=CC=CC=C3 1 3.215 2 3 2.40879068498672 752810 C1CCC(C1)C(=O)NC2=CC=C(C3=NON=C23)N4CCOCC4 1 2.04 4 3 0 -1.26652691464518 752809 CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC 1 2.959 3 3 -19.9289869034156 752807 C1CCC2=C(C1)C3=C(N2)C(=CC=C3)C(=O)N 1 2.508 2 1 1.76207215591089 752806 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 1 0.823 4 4 0 -10.0367477990583 752793 CC1=CC(=NO1)NC=C2C(=O)CC(CC2=O)(C)C 1 0.69 2 3 0 -15.3811851408366 752789 C1CNC(=O)/C(=C/C(=O)C2=CC=C(C=C2)F)/N1 1 0.65 2 2 0 -5.07145276971212 752781 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)OC 1 2.361 1 4 -1.19434654222133 752768 C1CNC(=O)/C(=C/C(=O)C2=CC=C(C=C2)Br)/N1 1 1.193 2 2 0 -5.41799084969199 752764 CCCC12CN3CC(C1=O)(CN(C2)C34CCCCC4)C 1 2.919 2 1 -7.8059099555216 752757 CCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=CS4)C 1 3.171 2 1 -10.3914111802091 752752 CCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(O4)[N+](=O)[O-])C 1 2.631 3 4 0 -9.89090232222423 752751 CCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=CO4)C 1 2.612 2 2 -11.2932334507693 752750 C1=CC=C(C(=C1)COC2=C3C(=C(C=C2)Cl)C=CC=N3)[N+](=O)[O-] 1 4.142 2 3 -3.91888951746558 752749 CCCC12CN3CC(C1=O)(CN(C2)C3C4=CC5=C(C=C4)OCO5)C 1 2.98 2 3 -10.4762669183565 752743 CSC1=NC(=O)N(C=C1)CCC(=O)O 1 0.389 2 3 0 -5.5994982933893 752739 CCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)OC)C 1 3.195 2 2 -8.57472009803626 752718 CC(C)NC(=O)CN1C2=CC=CC3=C2C(=CC=C3)C1=O 1 1.685 2 2 0 -10.9680532560179 752713 C1=CC=C(C=C1)C(CC2=NC(=NO2)C3=CC=NC=C3)C4=CC=CC=C4 1 3.769 3 1 1.39022396799761 752709 C1=CC=NC(=C1)C2=NOC(=N2)C3=CC=C(O3)Br 1 2.386 3 2 3.23781549894863 752705 C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=C(O3)Br 1 3.108 2 2 5.11443186035125 752699 C1CCN(C1)C(=O)CCCC(=O)O 1 0.342 1 3 0 -13.2278054754976 752697 CC1CCN(CC1)C(=O)CCCC(=O)O 1 1.05 1 3 0 -16.2713835935701 752691 C1C2(COC(O1)C3=CC=CC=C3O)COC(OC2)C4=CC=CC=C4O 1 2.189 0 6 2.04302287827861 752688 CCCC(=O)NCC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C 1 3.44 3 2 -18.3794416939529 752687 CCC(=O)NCC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C 1 2.984 3 2 -11.9808565873977 752685 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)C 1 2.317 3 2 -9.31126774745585 752684 CNC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl 1 2.676 3 2 -9.60865192962748 752682 CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)NC(C)C 1 3.224 3 2 -19.2750576271484 752680 CCNC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C 1 2.847 3 2 -13.7771356578953 752679 CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)NC 1 2.498 3 2 -11.4306506202143 752678 CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)N 1 2.292 3 2 -8.50594742874489 752670 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CN4CCCCC4 1 4.181 3 1 -1.38838896954141 752669 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)COC(=O)C 1 2.964 2 3 -6.32524699376709 752667 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CO 1 2.585 2 2 -2.79420411872022 752656 CCCN1C2=C(C=C(C1=N)C#N)C(=O)N3C=CC=C(C3=N2)C 1 1.243 5 1 0 -18.8324127595462 752653 CC1=CC=C(C=C1)NC(=O)C2=C(N(C(=S)S2)CC=C)N 1 3.323 3 1 -10.5180835516558 752651 C=CCN1C(=C(SC1=S)C(=O)NC2CCCCC2)N 1 3.119 3 1 -13.2471376780551 752648 C=CCN1C(=C(SC1=S)C(=O)NCC2=CN=CC=C2)N 1 1.694 4 1 0 -15.8933329740534 752647 C=CCN1C(=C(SC1=S)C(=O)NCC2=CC=CO2)N 1 2.026 3 2 -15.5239302481867 752646 CN1CCN(CC1)C(=O)C2=C(N(C(=S)S2)CC=C)N 1 1.424 4 1 0 -9.51670471806122 752638 CCOC(=O)C1=C(SC(=C1C)C(=O)NC2CCCC2)NC(=O)C 1 2.328 2 4 -16.8584111857998 752604 C1=CC2=NC(=NC(=O)N2C=C1)C(F)(F)F 1 1.465 3 1 0 -4.32105370191607 752596 CC(C)C1=CC2=C(C=C1)NC3=C2CCCC3=O 1 4.13 1 1 -1.00957440289826 752592 CCOC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3OC2=O 1 2.514 2 4 -5.88131961378451 752591 COC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3OC2=O 1 2.166 2 4 -8.40225799750004 752578 C1C(=O)N=C2N1C3=CC=CC=C3N2CC4=CC=CC=C4 1 2.418 3 1 -5.3048202905061 752561 COC1=CC(=C(C=C1)OC)NC2=NC3(CCCC3)N=C(N2)N 1 1.861 5 2 0 -0.875169850507692 752538 C1CCC2(CC1)N=C(NC(=N2)NC3=C(C=C(C=C3)F)F)N 1 2.761 5 0 1.36428928372387 752535 CNC(=O)CN(C1=CC=CC2=CC=CC=C21)S(=O)(=O)C 1 0.915 2 3 0 -13.5698101789348 752522 COC1=C(C(=C(C(=C1F)F)C2=CSC(=N2)N)F)F 1 2.833 2 1 8.19294324358895 752521 CC1(N=C(NC(=N1)NC2=CC(=CC=C2)Br)N)C 1 1.707 5 0 0 2.22615680290413 752492 COC1=CC=C(C=C1)C2=CC(=O)OC3(O2)CCCCC3 1 3.133 0 4 -1.3932939929945 752490 C1CCC2(C1)OC(=CC(=O)O2)C3=CC=C(C=C3)Cl 1 3.358 0 3 1.19613942090454 752487 COC1=CC=C(C=C1)C2=CC(=O)OC3(O2)CCCC3 1 2.677 0 4 -1.03882547882642 752479 C1=CC=C2C(=C1)N=C3N2C4=C(S3)C=C(C(=C4)C#N)C#N 1 3.453 4 0 -1.79157156049631 752452 C1CCN(CC1)CCNC(=O)CSC2=NC3=CC=CC=C3N2 1 2.544 4 1 -10.2369485051911 752449 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4O3 1 3.059 2 3 -1.43515427714177 752444 COC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3SC2=O 1 2.724 2 3 -4.08210140266986 752442 C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)NC3=CC=C(C=C3)Br 1 2.93 2 3 -4.33679130744697 752440 CC(C)CC(=O)NC1=CC=CC(=C1)C2=CN3C=CSC3=N2 1 2.743 3 1 -4.6743399281763 752439 CCCC(=O)NC1=CC=CC(=C1)C2=CN3C=CSC3=N2 1 2.492 3 1 -6.12331687965821 752438 COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=CN4C=CSC4=N3 1 3.016 3 2 -2.9131952664017 752437 CC(C)C(=O)NC1=CC=CC(=C1)C2=CN3C=CSC3=N2 1 2.498 3 1 -5.57007834196763 752434 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=CN4C=CSC4=N3 1 3.033 3 1 -1.94253647736731 752433 C1=CC=C2C(=C1)C3=C(C2=NNC(=S)N)C=CC=C3C(=O)N 1 2.135 4 1 -6.38093907791764 752432 CCC(=O)NC1=CC=CC(=C1)C2=CN3C=CSC3=N2 1 2.035 3 1 -0.701022745010658 752431 C1=CC=C2C(=C1)C3=C(C2=NNC(=O)N)C=CC=C3C(=O)N 1 1.144 4 2 0 -8.66892045915102 752427 COC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=NNC(=O)N 1 1.997 3 3 0 -10.4026668227379 752424 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C=CC(=O)C4=CC=CC=C34 1 2.687 3 2 -7.74062263032603 752420 CC(C)CN1C(=NNC1=S)C2=CC=NC=C2 1 2.143 4 0 -5.37354655309144 752419 CC(C)CN1C(=NNC1=S)C2=CC=CC=C2F 1 3.499 3 0 -5.04270533392174 752409 C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=C(C=C3)F 1 3.89 3 0 -0.102358075983479 752391 CC(C)CCN1C(=O)C2=CC=CC=C2C3=CC=CC=C3C1=O 1 3.961 1 2 -5.35346448241553 752384 C1=CSC(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O 1 1.33 2 5 0 -16.703714539604 752382 C1=COC(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O 1 0.772 2 6 0 -15.1699125170721 752372 CCOC(=O)N1CCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)C 1 2.182 4 3 0 2.24792699235311 752361 CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCCCC3 1 2.89 3 1 5.60494956013659 752359 CC1=CC=C(C=C1)C2=NOC(=N2)CNC3=CC=CC=C3 1 3.291 3 1 3.4487382751312 752358 C=CCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)N 1 3.346 3 0 1.44432793409688 752357 CCOC(=O)N1CCN(CC1)CC2=NC(=NO2)C3=CC=CC=C3 1 1.695 4 3 0 1.77341057603791 752353 CCC1=CC=C(C=C1)NCC2=NC(=NO2)C3=CC=CC=C3 1 3.747 3 1 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750950 CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCOCC3 1 1.66 3 2 0 3.20634334922451 750947 C1=CC2=NC3=C(C=C(C(=N)N3CCCN4C=CN=C4)C#N)C(=O)N2C=C1 1 -0.271 7 1 0 -14.970324484203 750944 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C(C)C)C(=O)NC 1 0.426 5 2 0 -19.1893320523507 750940 CCN(CC)C1=CC=C(C=C1)C=C2C(=O)OC(OC2=O)(C)C(C)(C)C 1 4.251 1 4 -7.71063125471082 750930 CS(=O)(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2 1 1.379 2 2 0 -6.64856070579076 750927 CC1=CC2=C(C=C1)C(=NC(=N2)NC3=NC=C4C(=N3)CCCC4=O)C 1 2.861 5 1 -5.10148094537356 750913 CC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C4=C(N3)CCC4 1 2.785 5 1 -9.08218037115401 750910 CN(CC1=NC(=NC(=N1)NC2=CC=C(C=C2)OC)N)C3CCCCC3 1 2.957 6 1 0 -2.04250915585866 750895 CCN(CC)C(=S)SC1=CCS(=O)(=O)C1 1 2.419 1 2 -6.23463712484935 750885 COC1=CC2=C(CCC3=C2N=C(S3)NC(=O)C4=CC=CS4)C=C1 1 3.966 2 2 0.887740312450666 750854 CC1=NC=C(C=C1)CCN2C3=C(CN(CC3)C)C4=CC=CC=C42 1 3.519 3 0 -4.14016774100739 750852 COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)O)CCC(=O)O 1 4.248 1 4 -1.68063646403758 750850 C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)C3=NC=CC=N3 1 2.597 4 0 9.58009251528488 750833 COC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=C(C=C3)OC)OC 1 3.629 3 3 -6.5186854325093 750826 CC(C)CC1=NC(=NN1)SCC(=O)NC2=CC=CC=C2C(=O)OC 1 2.78 4 3 0 -14.6420662494593 750824 CCC1=NC(=NN1)SCC(=O)NC2=NN=C(S2)CC(C)C 1 2.326 6 1 0 -13.8693025720532 750812 C1CN(CCN1CC2=C(C(=CC=C2)Cl)Cl)C3=NC=CC=N3 1 2.984 4 0 6.58914523887191 750811 COC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=C(O3)Br 1 3.091 2 3 5.17598206752231 750803 CC1=CC(=CC=C1)CN2CCN(CC2)C3=NC=CC=N3 1 2.141 4 0 7.30870804282012 750792 CC(=O)N1C2(CCCC2)OC(=N1)C3=CC=C(C=C3)Cl 1 2.838 2 2 -5.73150894217795 750789 CN(C1=CC=CC=C1C(=O)O)C(=O)C2=CC=CS2 1 2.403 1 3 -10.3028597557622 750783 COC1=CC(=CC=C1)OCC(=O)NNC(=O)C2=NC=CN=C2 1 -0.183 4 4 0 -11.781312348151 750778 CN1CCN(CC1)C(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42 1 3.492 3 1 -0.425525605903777 750776 C1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CC=CO4)SC3=NC2=O 1 3.219 3 3 -12.0313588464641 750774 CC(=O)NC1=CC=C(C=C1)NC(=O)OC 1 0.714 2 3 0 -6.2400813877783 750773 COC1=C(C=C(C=C1)C2=NN=C(O2)C3=CN=CC=C3)OC 1 1.87 3 3 0 -1.28645340335964 750771 COC1=CC(=C(C=C1CN2CCC3=CC=CC=C3C2)OC)OC 1 3.512 1 3 -6.29598268223786 750769 C1=CC(=CC=C1F)S(=O)(=O)NNC(=O)C2=C(C=CC(=C2)Cl)O 1 2.202 2 4 -1.25440761985383 750766 CC1=CC=CC(=C1O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F 1 2.024 2 4 -5.71830461650293 750762 CC1=CC=CC=C1CN2CCN(CC2)C3=CC=C(C=C3)Cl 1 4.683 2 0 7.02912357565301 750758 C1C(=O)OC2=CC=CC=C2N1CC(=O)OCC(=O)C3=CC=C(C=C3)F 1 2.614 1 5 -9.6324087979587 750751 CC1=CC=C(C=C1)NC2=C(C(=CC(=N2)C)C)C(=O)N 1 3.025 3 1 -2.6367570362527 750738 CCOC1=C(C=CC(=C1)CN2CCSCC2)O 1 2.426 1 2 3.68392799954555 750734 CC1=CC(=NC(=C1C(=O)N)NC2=CC=C(C=C2)OC)C 1 2.523 3 2 -2.86142665106304 750733 C1CN(CCN1CC2=CC=CC=C2Cl)C3=NC=CC=N3 1 2.319 4 0 5.57758734336682 750722 COC1=C(C=C(C=C1)/C=C\2/C(=O)SC(=N2)SC)OC 1 3.375 1 3 -12.4435477692342 750712 CC1=CC(=C(C(=O)O1)C(=O)C)NCCC2=CC=CC=C2 1 1.667 1 3 0 -6.96343606976371 750693 C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=CS3 1 3.342 3 0 -4.9673798277624 750686 C1CCC(CC1)CCC2=NN=C(S2)N 1 2.646 3 0 -2.00579612765197 750680 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NN=C(S3)C(C)C 1 3.025 4 2 -14.5676072597652 750678 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)CCCC4 1 3.548 3 2 -11.7940556877239 750669 COCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)Cl)OC 1 1.733 3 3 0 -9.53165055465107 750667 CCOC1=CC=CC=C1C(=O)NC2=NN=C(S2)COC 1 1.418 3 3 0 -13.0876015254811 750665 COCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3 1 0.854 3 4 0 -13.3088785644598 750661 CC1=CC=C(O1)/C=C\2/C(=O)SC(=N2)SC 1 2.949 1 2 -6.8807718584273 750660 COCC1=NN=C(S1)NC(=O)C2=CC=CO2 1 0.481 3 3 0 -10.1057875077081 750651 COCC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)OC)OC 1 1.053 3 4 0 -10.8817896739023 750640 CC(C)C1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.302 4 3 0 -12.6398972984813 750636 CC(C)(C)CC1=NN=C(S1)NS(=O)(=O)C 1 1.056 3 2 0 -10.1473259810128 750634 COCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)F 1 0.994 3 3 0 -7.8466228207251 750633 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=NN=C(S2)COC)C 1 2.247 3 3 -6.24421042661806 750631 CC(C)(C)CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.617 3 3 -9.42485297779694 750630 COCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 0.772 3 4 0 -8.80269320642505 750627 CC(C)C1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.165 3 3 -8.3148864786585 750624 CC(C)(C)CC1=NC(=NO1)C2=CC=CC=N2 1 2.339 3 1 0.326437610857625 750622 CC1=CC=C(C=C1)C2=NOC(=N2)CC3=CC=CC=C3OC 1 3.649 2 2 2.13863957325887 750615 CCOC(=O)N1CCN(CC1)C(=O)C2CCCCC2 1 1.915 2 3 0 -5.58763486151058 750614 COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3)OC 1 2.229 3 3 -4.65341662159678 750589 CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)O 1 3.863 4 2 -5.13572577571107 750584 CC1=CC=CC=C1C2=NN=C(O2)SCC3=CC=C(C=C3)F 1 4.487 2 1 -5.70164651062896 750580 CC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=CC=C3F 1 4.487 2 1 -6.6835861504376 750570 C1=CC2=C3C(=NC4=NN=CN4N3)N=C2C=C1 1 1.845 6 0 0 -1.08640441501182 750559 C1CN(CCN1CC2=CN=CC=C2)C3=CC=CC=C3F 1 2.587 3 0 5.72872186060671 750545 CC1=CC2=C(N1C3=CC=CC=C3)C=CC4=NON=C42 1 3.621 3 1 1.64333758757939 750541 C1=CN(C(=C1)C=C2C(=O)NC(=S)NC2=O)C3=CC=C(C=C3)O 1 2.689 3 3 1.30988089092374 750531 C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC=N3 1 3.075 3 0 8.66227512401215 750529 CC1=CC(=C(N1C)C)C=C2C(=O)C3=CC=CC=C3C2=O 1 2.826 1 2 -0.888214275371418 750521 CC1=CC=CC=C1/C=C\2/C(=O)SC(=N2)SC 1 3.894 1 1 -6.78422623534581 750519 COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.339 2 5 0 -7.46355492452926 750517 CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3 1 2.4 2 3 -12.3212593267819 750515 CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C 1 0.573 2 4 0 -16.6646696269197 750514 CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.841 2 4 0 -6.90531214418557 750496 C1=CC(=CC=C1CC2=NN=C(S2)NC(=O)C3=CC=NC=C3)Cl 1 2.562 4 1 -9.91221892342755 750489 CC1=CC(=NC(=N1)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)C 1 2.357 3 3 -10.4578800261642 750481 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)/C=C/C3=CC=CO3 1 2.941 2 2 -0.47458507405967 750480 C1=CC=C(C(=C1)N)N2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N 1 2.508 6 0 -11.1630934384566 750479 CCOC1=CC=CC=C1NC2=CC(=NC3=NN=NN23)C 1 1.94 6 1 0 -13.5885346459969 750474 CC1=NC2=NN=NN2C(=C1)NC3=CC=CC=C3Cl 1 2.272 6 0 -10.4191156605682 750420 COC(=O)CSC1=C(C2=C(N1)C=CC(=C2)Br)[N+](=O)[O-] 1 3.139 2 4 -4.785311244806 750421 COC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3CCCCC3 1 3.413 3 2 -6.13017709661489 750426 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)NC3=CC=C(C=C3)Cl 1 4.131 3 1 3.48420254172977 750439 CN1C=CN=C1SCC(=O)N2C3=C(CCCC3)C4=CC=CC=C42 1 4.189 3 1 -2.35797227557636 750459 CC1=CC(=NC(=N1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)C 1 0.806 4 3 0 -9.75477671835125 750457 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)C4=CC=NC=C4 1 3.535 2 1 0.23303372669732 750448 COC(=O)/C=C/1\C(=O)N=C(S1)NC(=O)C2=CC=C(C=C2)Cl 1 2.652 2 4 -6.80754587618378 750446 CC1CCN(CC1)CC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 3.069 3 1 -3.24882855565755 750417 COC(=O)CSC1=C(C2=C(N1)C=CC(=C2)F)[N+](=O)[O-] 1 2.596 2 4 -4.97570115212852 750416 CN1C=NN=C1SCC(=O)N2C3=CC=CC=C3C4=CC=CC=C42 1 3.482 4 1 -11.796921015075 750408 C/C=C/C(=O)N1C2=C(C=C(C=C2)C)C(=CC1(C)C)C 1 3.992 1 1 -3.72404163656016 750407 C1=CC(=CC=C1NC(=O)C2=NSC(=C2Cl)Cl)F 1 3.384 2 1 -3.08615252706602 750404 C1=CC(=CN=C1)CNC(=O)C2=CC=C(O2)Br 1 1.434 2 2 0 -10.5831592455584 750391 CCOC1=CC=C(C=C1)NC(=O)C2=NSC(=C2Cl)Cl 1 3.511 2 2 -4.97721891338343 750384 C1COCCN1CCNC(=O)C2=CC(=C(C=C2)Cl)Cl 1 2.193 2 2 -7.9221612818826 750379 C1CNC(=C(C(=C(Cl)Cl)SC2=CC=CC=C2)[N+](=O)[O-])N1 1 2.672 3 2 -4.65514759051801 750373 C1=CC=NC(=C1)CNC(=O)C2=CC=C(S2)Cl 1 2.098 2 1 -4.95173887904957 750361 CC1=NC(=CN1C2=CC=C(C=C2)N)[N+](=O)[O-] 1 1.447 4 2 0 0.743425801151165 750357 CN1C(=C(C=N1)Br)C(=O)NC2CCCCC2 1 2.586 3 1 -7.21794242511826 750354 CC1=C(C(=C(N1)C)C(=O)C)C(=O)C 1 0.694 1 2 0 -2.71891877276297 750351 CN1C2=C(C(=O)N(C1=O)C)NC(=C2O)C3=CC=CC=C3 1 1.929 3 3 0 -5.38034733699878 750345 C1CN(CCN(C1)C(=O)C2=CC=CO2)C(=O)C3=CC=CO3 1 0.978 2 4 0 -4.04342608560964 750344 C1CCCC(CCC1)NC(=O)C2=CN=CC=C2 1 2.658 2 1 -8.39746602854698 750331 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=CS3 1 3.304 1 1 -11.4582569185785 750328 C1COCCN1S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 0.821 2 3 0 -16.0727155057838 750320 CC1(CC(=O)C(=CNC2CCCCC2)C(=O)C1)C 1 2.027 1 2 -6.34123542630175 750317 CC1(CC2=C(CO1)C(=S)SC(=C2C#N)N)C 1 1.781 2 1 0 -2.94280728574739 750304 CC1=C(C2=C(N1C)C=CC(=C2)O)C(=O)C 1 1.972 1 2 0 0.122991333119935 750297 CC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3 1 2.401 2 2 5.49052962680352 750295 COC1=CC=CC=C1NC(=S)NC23CN4CN(C2)CN(C3)C4 1 2.199 5 1 -10.1710378004207 750293 C1=CC2=C3C(=C1)N=CN(C3=CC=C2)CC4=CC=C(C=C4)F 1 3.781 2 0 5.66948592266461 750290 CC1=NC2=CC=CC3=C2C(=CC=C3)N1 1 1.865 2 0 0 -3.7957789337345 750289 CCN1C=NC2=CC=CC3=C2C1=CC=C3 1 2.341 2 0 2.23928590523171 750288 COC(=O)CN1C=NC2=CC=CC3=C2C1=CC=C3 1 1.7 2 2 0 -1.86180530277447 750284 C1=CC2=C(C=CC(=C2)NC(=O)C3=C(C=CC(=C3)Cl)Cl)N=C1 1 4.129 2 1 -0.807155927629977 750257 COC1=CC=CC(=C1)C(=O)NC2=C3CCCC3=NC4=C2CCCC4 1 4.032 2 2 -5.86527913471176 750256 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.719 2 1 1.08293676007517 750255 CN1CCN(CC1)C(=O)C2=CC(=CC(=C2)Cl)Cl 1 2.53 2 1 -0.212173747261307 750254 C1CCC2=C(C1)C(=C3CCCC3=N2)NC(=O)C4=CC=CC=N4 1 3.326 3 1 -7.00618419155626 750253 CN1CCN(CC1)C(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42 1 3.048 3 1 2.48191088798448 750246 CCC1=CC2=C(N=CN=C2S1)N3C(=CC(=N3)C)C 1 3.118 4 0 -6.66514427717168 750242 C1CC2=C(C(=C(N2C1)C(=O)C3=CC=C(C=C3)Br)N)C#N 1 3.106 3 1 -6.2731172346992 750241 CCSC1=NC=NC2=C1N3CCCCCC3=C2C#N 1 3.601 4 0 -8.47646975775008 750225 CC1(CC2=C(CO1)C=C(C(=N2)N3CCCC3)C#N)C 1 1.703 3 1 0 -8.9669140803077 750223 CC1(CC2=C(CO1)C=C(C(=N2)Cl)C(=O)O)C 1 1.786 1 3 0 -9.94558595926992 750221 C1=CC=C(C=C1)CCC(=O)NCC2=CC=CC=N2 1 2.177 2 1 -14.8063220374262 750220 C1=CC(=CC(=C1)N2C=NN=N2)C(=O)O 1 0.346 4 2 0 -13.9819050708045 750219 COC1=CC=C(C=C1)CC(=O)NCCN2CCOCC2 1 0.882 2 3 0 -11.4333464131902 750212 COC1=CC(=CC(=C1)C(=O)NN2C=NN=C2)OC 1 0.2 4 3 0 -8.72604705697571 750201 COC1=CC(=O)NC(=O)N1C(=O)CC2=CC=CC=C2 1 1.342 2 4 0 -10.034055704952 750199 CC1=C(C(=C(N1C2=CC=CC=C2)C(=O)OC)N)C#N 1 2.13 3 2 -5.70762241661308 750191 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)F 1 3.429 2 2 -2.94580887395796 750186 COC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=CC=C3 1 3.908 2 3 0.661575463644563 750184 CC1=C(N=CC=C1)NC(=O)NC2=CC=C(C=C2)Cl 1 3.062 3 1 -0.815410423824283 750183 CC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=CC=C3 1 4.41 2 2 1.0745416727887 750181 CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2OC 1 3.992 1 2 -6.27227552371326 750178 CC1=CC(=NC(=C1C#N)NC2=CC(=CC=C2)Br)C 1 4.164 3 0 -0.921306265121196 750163 CC1=CC(=NC(=C1C#N)NC2=CC=C(C=C2)OC)C 1 3.399 3 1 -3.04589236006162 750162 CC1=CC(=NC(=C1C#N)NC2=CC(=CC=C2)OC)C 1 3.399 3 1 -2.436283618063 750150 CC1=CC(=CC=C1)NC2=C(C(=CC(=N2)C)C)C#N 1 3.902 3 0 -0.680673844611204 750147 CC1=CC=CC=C1NC2=C(C(=CC(=N2)C)C)C#N 1 3.902 3 0 -3.62440767550296 750145 CC1=CC(=NC(=C1C#N)NC2=CC=CC=C2)C 1 3.416 3 0 -2.78958028929083 750142 C1=CC=C(C=C1)CCNC(=O)C2=CN=C3C=CC=CN3C2=O 1 0.834 3 2 0 -14.7069891631797 750135 COC1=CC(=CC(=C1)NC=C2C(=O)C3=CC=CC=C3C2=O)OC 1 2.544 1 4 -4.0897781852237 750134 CCC1=C(N=C(C(=C1C)C#N)SCC(=O)N)C 1 2.204 3 1 -13.6277172334145 750129 CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2CCN(CC2)C 1 2.316 4 2 -8.06720213991483 750128 C1CCCN(CC1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3 1 4.468 1 2 -6.19850285196268 750123 C1CCN(C1)C(=S)C2=CNC3=CC=CC=C32 1 3.422 2 0 -0.817059128372112 750100 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)OC3CSC3 1 3.026 1 4 -8.6528999471038 750093 COC1=C(C=CC(=C1)N)CC2=C(C=C(C=C2)N)OC 1 2.278 2 2 1.9952946062913 750092 CC1=NN(C(=O)C2=CC=CC=C12)C3=CC4=CC=CC=C4C=C3 1 3.524 2 1 -1.75374639706758 750090 CNC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC=C3 1 1.332 5 1 0 -10.4545531173485 750088 C1CCN(CC1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4 1 2.455 5 1 -10.9544389495156 750087 CN(C)C1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC=C3 1 1.538 5 1 0 -8.75085704347122 750068 C1CC(=NC2=CC=CC=C21)NCCC(=O)O 1 1.265 2 2 0 -8.21590605139994 750066 C1CC2=CC=CC=C2N=C(C1)NCCC(=O)O 1 1.722 2 2 0 -9.72260219616317 750061 CC1=C2C(=C(C=C1)N3C=NN=N3)C=CC=N2 1 1.389 5 0 0 -11.2582256410332 750059 C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=C2)C(=O)N)N 1 1.837 4 1 0 -3.96987505328078 750040 CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1C4=CC=C(C=C4)OC 1 2.946 4 2 -5.37659008077448 750031 C1CC2=C(C1)SC3=C2C(=O)OC(=N3)C4=CC=CS4 1 3.807 1 2 -14.516840911406 750014 CC(C)C1C(=C(SC(=C1C#N)N)N)C#N 1 1.139 4 0 0 -2.61725484904411 749988 C1CN2C(=O)C(=C(N=C2SC1)C3=CC=C(C=C3)Cl)C#N 1 2.793 3 1 -9.32998286731935 749987 C1=CC(=CC(=C1)Cl)C2=NC(=S)NN2 1 2.56 3 0 2.13535386204148 749973 C1CCC2(CC1)NC(=S)N(N2)C3=CC=CC=C3 1 3.699 3 0 2.60060365626381 749967 COC1=CC=CC=C1C2=NNC(=S)O2 1 2.527 2 2 -5.68180224880903 749966 COC1=C(C=C(C=C1)CC2=NNC(=O)C3=CC=CC=C32)OC 1 2.5 2 3 -15.8119568413027 749965 CC(C)(C)C1=CC(=C(C=C1CCC(=O)N2CCNCC2)C(C)(C)C)O 1 3.715 2 2 -10.2476314102736 749961 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=CC=C(C=C3)F 1 1.952 2 3 0 -8.03991757173457 749960 CC1=CC(=NN1C(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C 1 1.488 3 3 0 -12.2310586773504 749958 CC(=O)C1=C2C(=CC=C3C2=C(CC3)C=C1)O 1 2.837 0 2 0.741122168895854 749956 CN1C2=C(C=N1)C(=NC=N2)NNC(=O)CC3=CC=CC=C3 1 0.843 6 1 0 -3.86297844274655 749945 COC1=CC=C(C=C1)CC(=O)NNC2=NC3=CC=CC4=C3C2=CC=C4 1 2.805 3 2 -0.784673462905163 749936 COC1=CC=C(C=C1)C(=O)NNC2=NC3=CC=CC4=C3C2=CC=C4 1 2.77 3 2 0.267107292859003 749916 CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C 1 1.461 3 3 0 -16.4978351553643 749915 C1=CC(=CC=C1S(=O)(=O)CCC2=NN=C(S2)N)Cl 1 1.772 3 2 0 -6.91945218689627 749911 CCC1=NN=C(S1)NC(=O)CSC2=CC=C(C=C2)Cl 1 3.074 3 1 -11.0678758995245 749908 CN(C)C1=CC=C(C=C1)NC(=S)C2=CC=C(C=C2)OC 1 4.132 2 1 -2.67883654678426 749885 C1C(CS1)OC2=CC=CC(=C2)C=NNS(=O)(=O)C3=CC=CC=C3 1 2.831 2 3 -3.11453572058583 749883 C1=CC=C(C=C1)CN2C3=C(C=NC=C3)NC2=S 1 3.323 3 0 -0.713187103127599 749856 COC1=C(C=C2C(=C1)COC(=O)C23CCCC3)OC 1 2.861 0 4 -3.53280897611609 749849 CC1=CC(=C(C(=C1)C)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)C 1 3.433 4 1 -3.42532583841415 749848 CN1C=C(C(=N1)C(=O)NC2=NC3=CC=CC=C3S2)Cl 1 2.982 4 1 -1.16472787814453 749844 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)/C=C/C(=O)O 1 2.415 1 4 -0.590607052037734 749833 CC1=CC(=NN1)C(=O)NN=CC2=CC=CN2C 1 1.292 5 1 0 -10.9213541271272 749828 CN1C=CC=C1C=NNC(=O)C2=CC(=CN=C2)Br 1 1.872 4 1 0 -7.59405981822265 749826 CC1=NN(C2=C1C(=O)CC(C2)(C)C)C(=O)C3=CC=CC=C3 1 3.06 2 2 -11.7133975828135 749825 CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=CN=CC=C2 1 3.332 2 1 -1.6660797779006 749749 COC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O)OC 1 2.611 1 5 -14.8400132104363 749766 C1COCCN1C(=O)OC2=C3C=CC(=CC3=NC=C2)Cl 1 2.337 2 3 -4.1988300870812 749768 CC(=O)N(C)C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC2=O 1 1.534 3 2 0 -7.30651836476153 749803 C1CC2=C(C3=C(N2C1)C(=NC=N3)C4=CC=CC=C4)C#N 1 3.205 4 0 -2.23211463270287e-002 749802 CCN(CC)C(=O)OC1=CC=C(C2=CC=CC=C21)Cl 1 4.069 1 2 -3.43659582002497 749800 C1CCN(CC1)C(=O)OC2=CC=C(C3=CC=CC=C32)Cl 1 4.289 1 2 -2.65291225490668 749788 CN(C)C(=O)OC1=C2C=CC(=CC2=NC=C1)Cl 1 2.65 2 2 -1.54520255870485 749785 CCN(CC)C(=O)OC1=C2C=CC(=CC2=NC=C1)Cl 1 3.347 2 2 -3.4142172024239 749781 CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)N 1 1.594 3 2 0 -8.74145087748309 749779 COC1=C(C=C(C=C1)C2N(CCN2C3=CC=CC=C3)C4=CC=CC=C4)O 1 5.146 2 2 -3.78227841992045 749737 CCOC1=CC=CC=C1NC(=O)/C=C/C(=O)N 1 0.898 2 3 0 -6.62644786174087 749716 CCOC(=O)C1=C(SC=C1CC(C)C)N=CC2C(=O)CCCC2=O 1 3.419 1 4 -5.24636119233907 749714 CCOC(=O)C1=C(SC2=C1CCCC2)N=CC3C(=O)CCCC3=O 1 3.152 1 4 -10.4883989594855 749711 CCC1=CC(=C(S1)N=CC2C(=O)CC(CC2=O)(C)C)C(=O)OCC 1 3.039 1 4 -9.03732725106708 749709 CCC1=CC(=C(S1)N=CC2C(=O)CCCC2=O)C(=O)OCC 1 2.581 1 4 -7.93897098365921 749707 CCOC(=O)C1=C(SC(=C1)C)N=CC2C(=O)CCCC2=O 1 1.914 1 4 0 -4.35983860407262 749702 CCOC(=O)C1=C(SC(=C1C)C)N=CC2C(=O)CC(CC2=O)(C)C 1 2.858 1 4 -6.66627598356579 749699 CCOC(=O)C1=C(SC(=C1C)C)N=CC2C(=O)CCCC2=O 1 2.4 1 4 -5.56791971615791 749688 CCC1CCC2(CC1)NC(=S)N(N2)C3=CC=CC=C3 1 4.407 3 0 0.944382738090432 749683 CN1C(=NNC1=S)CC2=CC=CC=C2 1 2.136 3 0 -5.82797262225814 749682 C1CCC(C1)NC(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43 1 3.943 1 2 -2.03802209607126 749680 C1COCCN1C2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCOCC4 1 0.881 6 2 0 -1.58507434020157 749672 C1=CC=C(C=C1)CNC(=O)CSC2=NC=CN2CC3=CC=CC=C3 1 3.233 3 1 -17.0228805128514 749671 COC(=O)CCSC1=NC=CN1CC2=CC=CC=C2 1 2.545 2 2 -11.8124534642474 749667 C1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)C(=O)O1 1 3.04 2 3 -8.414832857887 749660 CN1CCC(=NNC(=O)CSC2=CC=C(C=C2)Cl)CC1 1 2.236 3 1 -3.47946892737922 749658 CN(C1CCCCC1)C(=O)CN2C=NC(=N2)[N+](=O)[O-] 1 1.335 5 3 0 -11.9773119146904 749649 CN1CCC(=NNC(=O)COC2=CC=C(C=C2)Cl)CC1 1 1.678 3 2 0 -3.14790512734311 749632 CC1=CC(=NN1CC(=O)N(C)C2CCCCC2)C(F)(F)F 1 3.12 3 1 -9.51047303625893 749630 CC1=C(C(=NN1CC(=O)N2CCCC2)[N+](=O)[O-])Cl 1 1.449 4 3 0 -9.81236840701617 749624 CC1=C(C(=NN1CC(=O)NCCC2=CC=CC=C2)C)[N+](=O)[O-] 1 1.766 4 3 0 -15.1766453542982 749623 CC1=C(C(=NN1CC(=O)N2CCOCC2)C)[N+](=O)[O-] 1 -0.245 4 4 0 -11.655154786609 749622 CC1=C(C(=NN1CC(=O)NCC2=CC=CC=C2)C)[N+](=O)[O-] 1 1.445 4 3 0 -15.7681988661639 749619 CC1=CC(=NN1CC(=O)NC2CCCCC2)[N+](=O)[O-] 1 1.976 4 3 0 -16.1262174527448 749586 C1=C(C=C(C=C1Cl)Cl)NC(=O)CSC2=NC(=O)C=C(N2)N 1 2.2 4 2 -14.0567998515537 749536 C1CCC(CC1)NCC2OCC3=CC=CC=C3CO2 1 2.917 1 2 2.49109330596169 749534 C1CCN(CC1)CC2OCC3=CC=CC=C3CO2 1 2.512 1 2 3.91035054874333 749479 C1=CC=C(C(=C1)C(=O)NC2=CC=CC3=C2N=CC=C3)Br 1 3.549 2 1 -5.76754474999441 749454 CC1=C(C(=CC=C1)N2C(=CC(=C2C)C(=S)N3CCOCC3)C)C 1 4.494 2 1 -6.09925012665069 749451 CN1CCCCC2=C1NC3=CC=CC=C3C2=O 1 2.908 2 1 -7.37448820378736 749449 CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=S)N3CCOCC3)C)C 1 4.494 2 1 -5.75337133011503 749443 CN1C2=C(C(=O)NC1=O)N(C(=N2)SC)CC3=CC=C(C=C3)Cl 1 3.025 4 2 -5.94405477773406 749437 CC1=CC=C(C=C1)S(=O)(=O)N=C(C)N2CCCCC2 1 1.748 2 2 0 -6.89850847688809 749421 CCOP(=O)(C1=CC=CC=C1)C2(CCCCC2)O 1 2.525 0 3 -3.70880110553324 749403 CCOC(=O)C1=C2N(C3=CC=CC=C3N2CCC1=O)C 1 2.411 2 3 -9.47156455275368 749387 CC(=O)NC1=CC=C(C=C1)NC2=CC(=O)CC(C2)(C)C 1 1.824 2 2 0 -17.4817266983714 749386 CCN(CC)CCNC1=NC2=CC=CC=C2CCC1 1 2.828 3 0 -7.07399668024261 749385 CC1(CC(=CC(=O)C1)NC2=CC=C(C=C2)C(=O)O)C 1 2.333 1 3 -15.7786837277624 749382 CC1(CC(=CC(=O)C1)NC2=CC(=CC=C2)O)C 1 2.461 1 2 -9.98162568340183 749377 C1CC(=S)N(C1)CC(=S)NCCC2=CC=CC=C2 1 3.316 2 0 -9.16154800086147 749342 CC1(CC(=CC(=O)C1)NNC(=O)C2=CN=CC=C2)C 1 0.46 3 2 0 -17.5763723882671 749340 CC1(CC(=CC(=O)C1)NNC(=O)C2=CC=CC=C2O)C 1 1.369 2 3 0 -12.9245914964054 749311 CN(CP(=O)(CN1CCCCC1)O)C=O 1 -5.e-002 2 3 0 -2.28516801330849 749309 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN=C(O3)C4=CC=NC=C4 1 1.933 3 3 0 3.71252173671888 749297 C1CC2=C(C1)SC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)F 1 3.458 2 1 -11.4721093202858 749289 C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)C(=O)O 1 2.9 2 2 3.83880032565647 749283 COC1=NC(=NC(=C1)NC(=O)CCC2=CC=CC=C2)OC 1 2.893 3 3 -16.8963879686871 749282 COC1=NC(=NC(=C1)NC(=O)CC2=CC=CC=C2)OC 1 2.437 3 3 -15.0614112909606 749280 CC(C)C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O 1 3.883 0 3 3.46207580870871 749267 CC1(COC(=N1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C 1 2.709 2 3 1.11737606316714 749260 COC1=CC(=CC(=C1OC)OC)C(=O)NCCN2CCOCC2 1 0.815 2 5 0 -13.1656345400394 749251 COC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC(=CC=C2)O 1 1.448 2 5 0 -7.38745165444464 749234 COC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4F 1 4.465 2 2 -6.62041995833245 749232 CC1=CC(=O)OC2=C1C=C(C=C2)OCC(=O)O 1 1.811 0 5 0 -8.62932754579107 749231 C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4F 1 4.481 2 1 -5.4242767204737 749218 C1=CC(=C(C=C1C(=O)NC2=NC=CS2)[N+](=O)[O-])Cl 1 2.17 3 3 -8.91176071166738 749216 C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC2=NC=CS2)Cl 1 2.17 3 3 -7.1064250601275 749213 CC1=CC(=C(C=C1)C)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.471 2 3 -8.63238727308832 749212 CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C 1 2.719 2 3 -8.99970941183993 749211 CC1=CC(=C(C=C1)C)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 2.719 2 3 -10.5304362808949 749206 CC1=CC(=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)C 1 2.471 2 3 -7.24250958822331 749205 COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=CC=C3 1 4.661 3 1 -6.91937939403481 749201 CC1=CC(=NN1C(=O)CN2C(=O)C3=CC=CC=C3C2=O)C 1 1.24 3 3 0 -10.2567029484582 749200 CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.831 2 4 0 -8.0329349502454 749185 CC1CCN(CC1)C(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 3.623 2 2 -11.6929456000827 749184 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(C)C3CCCCC3 1 4.313 2 2 -6.76969490707635 749183 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=CC=CC=N3 1 2.897 3 2 -13.4340104565618 749177 CCCC1=C2CCCCC2=C(C(=N1)NCC3=CC=CC=C3)C#N 1 4.936 3 0 -5.40472781322457 749175 C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)F 1 3.445 2 1 -1.09671105831337 749170 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2 1 1.725 2 3 0 -19.2430471227484 749169 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCO)CC2=CC=CC=C2 1 1.111 2 4 0 -11.2985569314415 749168 CC(C)C1=C2CCCCC2=C(C(=N1)N3CCCC3)C#N 1 4.025 3 0 -5.73386671729945 749165 C1=CC=C(C(=C1)C(=O)N2C=NC3=CC=CC=C32)[N+](=O)[O-] 1 2.894 3 3 -7.188102222327 749163 CN1C2=CC=CC=C2N=C1S(=O)(=O)CC3=CC=C(C=C3)Cl 1 3.867 2 2 -6.98803305091894 749157 CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC(=O)C 1 2.516 3 1 -6.7499547674969 749150 CCN1C2=CC=CC=C2N=C1NCC3=CC=CS3 1 3.101 3 0 -5.37599339688065 749148 CCCN1C2=CC=CC=C2N=C1NCC3=CC4=C(C=C3)OCO4 1 3.653 3 2 -5.52611831698208 749146 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N)C2=CC=CC=C2OC 1 1.847 2 4 0 -11.7581095354057 749135 CC1=NC2=CC=CC=C2N1N=CC3=CN=CC=C3 1 2.306 4 0 4.78958848493 749134 CC1=NN2C3=CC=CC=C3N(C2=NC1=O)CC4=CC=CC=C4 1 2.664 4 1 -5.53396286641783 749132 CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)C 1 2.394 2 2 -5.10342758124799 749128 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3Br 1 3.621 2 1 -1.69907993108579 749120 C1=CSC(=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)O)Cl 1 4.096 3 2 -8.54699049966145 749118 CC1=C(C(=NN1CC(=O)N2CCCC3=CC=CC=C32)C)[N+](=O)[O-] 1 2.175 4 3 0 -10.983826041077 749109 CC1=C(C(=NN1CC(=O)NCC2=CC=CS2)[N+](=O)[O-])Cl 1 2.106 4 3 0 -17.8816143879123 749108 CC1=C(C(=NN1CC(=O)N2CCCC3=CC=CC=C32)[N+](=O)[O-])Cl 1 3.096 4 3 0 -11.0638046254279 749102 CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC)[N+](=O)[O-])Cl 1 2.901 4 3 0 -14.2772229933314 749101 CC1=C(C(=NN1CC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])Cl 1 2.127 4 5 0 -11.6010056770025 749099 CC1=C(C(=NN1CC(=O)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-])Cl 1 3.03 4 3 0 -14.0274928566668 749096 CC1=CC(=NN1CC(=O)NCC2=CC=CS2)[N+](=O)[O-] 1 1.442 4 3 0 -21.8871202709724 749095 CC1=CC(=NN1CC(=O)N2CCCC3=CC=CC=C32)[N+](=O)[O-] 1 2.432 4 3 0 -15.069310508488 749090 CC1=CC(=NN1CC(=O)NC2=CC=CC=C2SC)[N+](=O)[O-] 1 2.237 4 3 0 -18.2827288763915 749085 CC1=CC(=NN1CC(=O)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 2.366 4 3 0 -17.2168697382084 749081 C1=CC=C(C=C1)CNC(=O)CN2C=NC(=N2)[N+](=O)[O-] 1 0.854 5 3 0 -16.0645331931884 749080 CC1=C(C(=NN1CC(=O)NCCN2CCOCC2)C)[N+](=O)[O-] 1 -0.312 5 4 0 -17.4293101815889 749072 CC1=C(C(=NN1CC(=O)NCC2=CN=CC=C2)[N+](=O)[O-])Cl 1 1.216 5 3 0 -17.5562519461445 749070 CC1=C(C(=NN1CC(=O)NCC2=CC=CO2)[N+](=O)[O-])Br 1 1.632 4 4 0 -17.9215044813572 749065 C1CN(C2=NC3=CC=CC=C3N21)C(=S)NC4=CC=CC=C4 1 4.182 4 0 -5.60363434006549 749064 CC1=CSC(=NC(=S)NC2=CC=CC=C2)N1C 1 3.504 3 0 -6.83554811247626 749060 CC1=CC=CC=C1C=NNC(=O)CN2C=NC(=N2)[N+](=O)[O-] 1 1.402 6 3 0 -9.34483762032801 749059 CC1=CC=C(C=C1)C2=CN3C(=S)NN=C3S2 1 3.094 3 0 -4.03036442181958 749058 C1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC=C3C4=CC=CS4 1 4.977 2 1 -5.83002895322111 749052 C1CS(=O)(=O)N=C2N1C(=CS2)C3=CC=CO3 1 0.153 2 3 0 -3.58474050973815 749039 CC1=CC(=NC2=NC(=NN12)C(=O)NN=C(C)/C=C/C3=CC=CC=C3)C 1 2.199 6 1 0 -10.7839121305202 749032 COC1=CC=C(C=C1)N2C(=O)CC3=CC=CC=C3C2=O 1 2.457 1 3 -3.23511531574918 749001 CN(C)C1=CC=C(C=C1)C=NNC(=O)CSC2=CC=CC=N2 1 2.627 4 1 -13.0723747422781 748984 COC1=C(C=C(C=C1)C=NNC(=O)CSC2=CC=CC=N2)OC 1 2.432 3 3 -14.7032381223889 748973 C1=CC=NC(=C1)SCC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.359 4 3 0 -12.8495742474603 748950 CCCC1=C(C(=C(C(=N1)N)C#N)C2=CC=CO2)CC 1 3.612 3 1 -2.39730435871641 748943 CC1=C(N=C(C(=C1C2=CC=CC=C2)C#N)N)CC(C)C 1 4.012 3 0 1.37119334641139 748928 COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3CC3 1 2.893 3 1 -4.47047382357392 748920 CC(C)(C)NC1=NC(=NC(=N1)NN)NC(C)(C)C 1 0.682 7 0 0 -3.9854448966148 748913 CN1C=C(C=CC1=O)C(=O)NN=CC2=CC(=C(C=C2OC)OC)OC 1 0.646 3 5 0 -11.3139686218566 748909 CN1C=C(C=CC1=O)C(=O)NN=CC2=CC=CC=C2OC 1 0.679 3 3 0 -7.53457830570233 748890 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F 1 1.913 3 2 0 -14.5662791772661 748869 CC1=CC(=NC=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC=C)O 1 3.242 3 3 -3.72555753995871 748865 CC1=C(N=CC=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)C)O 1 2.625 3 3 -0.400140488611731 748859 C1=CC=C2C(=C1)C(=O)C(=C(N2)O)C(=O)NC3=CC(=CC=C3)O 1 2.155 2 4 -3.5063297375232 748849 C1=CC=C2C(=C1)C(=O)C(=C(N2)O)C(=O)NC3=CC(=CC=C3)F 1 2.602 2 3 -3.32133397191629 748847 CCOC(=O)C1=C(N(C(=N)S1)C2=CC=C(C=C2)OC)C 1 2.565 2 3 -7.60159735897772 748845 CCOC(=O)NC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C 1 1.908 4 3 0 -18.535962686644 748842 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 1 2.27 3 3 -13.731959689098 748833 C1=CC=C(C=C1)CN=C2C(=CC3=CC=CC=C3O2)C(=O)N 1 2.706 2 2 -5.2057567733167 748828 C1CC2=C(C(=CC=C2)O)N(C1)S(=O)(=O)C3=CC=CS3 1 2.599 1 3 -6.38299599766891 748824 CC1=CC2=C(C=C1)OC(=C2C3=CC=C(C=C3)OC)C 1 4.267 0 2 6.50192996573636 748823 CC1=CC=CC=C1OCCN2C(=NC3=CC=CC=C32)C 1 3.93 2 1 -1.609156183008 748800 C1=CC=C2C(=C1)N=CN2CCOC3=C(C=C(C=C3)Cl)Cl 1 4.512 2 1 -1.32440254872801 748799 CC1=C(C2=C(C(=O)N=C2C=C1)NC3=CC=C(C=C3)OC)Br 1 3.091 2 2 -1.23819070104187 748798 CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=C3C=CC=CC3=NC2=O 1 2.588 3 3 -6.02683682884123 748782 CN1C2=CC=CC=C2N(C1=O)CCOC3=C(C=C(C=C3)Cl)Cl 1 4.065 2 2 -3.47209690942212 748779 CC1=NC(=C(C(=C1)COC)C#N)OCC(=O)NN=CC2=CC=CO2 1 1.267 4 4 0 -11.8967527942146 748770 COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=CC=C2)OC 1 2.613 1 4 -8.54866453419071 748753 COC1=CC=CC=C1OCC(=O)NC2=CC=NC=C2 1 1.283 2 3 0 -8.6665735896362 748751 COC1=CC=C(C=C1)CNC(=O)COC2=CC=C(C=C2)OC 1 2.424 1 4 -9.69456275545066 748750 CC1(CC(CC(N1)(C)C)NC(=O)COC2=CC=C(C=C2)OC)C 1 1.596 2 3 0 -13.2902512609944 748738 C1=CC=NC(=C1)CNC(=O)COC2=CC=C(C=C2)Br 1 2.269 2 2 -10.1494156808518 748737 C1=CC(=CC=C1OCC(=O)NC2=CC=NC=C2)Br 1 2.047 2 2 -4.4176293508338 748727 COC1=CC=C(C=C1)C(=O)NNC(=O)CC2=CC=CS2 1 1.843 2 3 0 -10.845320577147 748724 COC1=CC=CC=C1C(=O)NN2C=NN=C2 1 0.216 4 2 0 -7.93275771272233 748688 CCC1=CC=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1 3.742 0 3 -11.844089315151 748686 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)C 1 3.411 1 3 -3.90513265545186 748658 CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.51 3 3 -4.73592831815683 748649 CCOC(=O)C1=C(C2=C(O1)C=CC=C2O)C 1 2.873 0 4 6.69547766754976 748642 C1C2=CC=CC=C2COC(O1)CNC3=CC=CC=C3 1 2.913 1 2 3.81204739348094e-002 748631 CC1=CC(=C(C=C1)C)NC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 4.282 4 0 8.66872603666283 748627 CC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.795 4 0 9.25205532728477 748597 CC(C)CN1C=C(C(=O)N(C1=O)CC(C)C)Cl 1 2.152 2 2 -6.56222436044913 748595 CC(C)CN1C=C(C(=O)N(C1=O)CC(C)C)F 1 1.693 2 2 0 -8.88834287638416 748575 CC1=CC=C(C=C1)C2OCC3(CO2)COC(OC3)C4=CC=C(C=C4)C 1 3.645 0 4 1.13916024549923e-002 748550 C1CC2=[N+](N(N=C2C3=NON=C31)C4=CC=CC=C4Cl)[O-] 1 2.021 5 2 0 -4.63335349039851 748549 CC1=CC=C(C=C1)N2N=C3C(=[N+]2[O-])CCC4=NON=C43 1 1.843 5 2 0 -2.02268170460615 748520 CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=C(C=C2)SC)OC 1 2.445 1 4 -7.57673008601479 748516 COC1=C(C=CC(=C1)SC)C(=O)NCCN2CCOCC2 1 1.389 2 3 0 -7.78409707818054 748515 COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CC=CS2)C(=O)OC 1 2.313 1 5 -12.6045212428575 748484 CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=C(C=C3)OC)OC 1 2.892 1 4 -7.58190110289054 748471 CCOC1=CC=C(C=C1)NC(=O)C2=CSC3=C2CCCC3 1 3.992 1 2 -6.40338611556918 748470 COC1=CC=CC=C1NC(=O)C2=CSC3=C2CCCC3 1 3.643 1 2 -8.66560170749486 748441 CC1=CC(=CC=C1)N2C(=CC(NC2=S)(C)C)C 1 4.201 2 0 -2.12515961578027 748433 COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 2.059 1 5 -5.35925751090865 748410 COC(=O)CON1C(=O)C2=CC=CC=C2C1=O 1 0.415 1 5 0 -7.40778380178222 748403 CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)N(C)C 1 3.836 2 2 0.900392875840379 748369 COC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)O 1 2.382 2 3 -2.21357674866311 748359 CC1=CC2=NC(=C(N2C=C1)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.327 3 1 -5.71117578640958 748350 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=CC=N3 1 2.598 2 2 1.52747096732088 748345 CC1=CC(=NC(=C1C(=O)N)NC2=CC=CC=C2OC)C 1 2.523 3 2 -4.50615058536436 748343 CC(=O)NC1=CC(=C(C=C1)OC(C(F)F)(F)F)NC(=O)C 1 1.551 2 3 0 -7.8131191568193 748331 CCOC(=O)C1CCN(CC1)C(=O)NC2=CC=C(C=C2)Cl 1 2.492 2 3 -6.7555265307665 748318 COC1=CC=CC=C1C2=NN=C(S2)N 1 1.466 3 1 0 -0.413336844461303 748308 CCOC(=O)CC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 2.225 3 3 -18.4950104336197 748307 C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)C3=CC=CO3)C4=CC=CC=C4 1 4.633 3 2 -9.74791346602226 748304 CCC(=O)NC1=C(C=C2C(=C1)C(=CC(=O)O2)C)C 1 2.619 1 3 -9.83824384695996 748298 CC(=O)NC1=C(N=C(NC1=O)SCC2=CC=C(C=C2)Cl)O 1 1.966 3 3 0 -12.1857270694415 748295 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC(=O)O 1 2.592 1 3 -13.5527798214086 748294 C1COCCN1S(=O)(=O)C2=CC=CC3=C2C=CC=C3[N+](=O)[O-] 1 1.437 2 5 0 -15.7342623858893 748291 CC1(CC(=O)C(=CNC2=CC=CC=C2)C(=O)C1)C 1 2.023 1 2 -9.22013956134781 748284 CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)CC(CC2=O)(C)C 1 2.228 1 4 -14.3931185731378 748273 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4 1 5.043 2 1 1.27461980660027 748272 CC(C)SC1=NC(=O)C2=CC=CC=C2N1 1 2.757 2 1 -6.95993933365872 748270 CC1=NN=C2N1N=C(C3=CC=CC=C32)Cl 1 1.895 4 0 0 -3.20601876179318 748269 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2CC=C 1 4.076 2 1 0.333353852601481 748266 CCCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC 1 4.332 2 1 3.13175938913127 748264 CC1(CC2=CC=CC=C2C(=N1)NNC(=O)C3=CN=CC=C3)C 1 1.638 4 1 0 -5.50682791089276 748263 COCN1C2=CC=CC=C2N=C1C3=CC=CC=C3 1 3.327 2 1 2.72367477031753 748260 CC1(CC2=CC=CC=C2C(=N1)NNC(=O)C3=CC=C(C=C3)OC)C 1 2.772 3 2 -3.83923908331715 748258 C1CCC2(C1)CC3=CC=CC=C3C4=NN=C(N24)C5=CC=CO5 1 3.978 3 1 2.34833048189174 748252 CC1=CC=CC=C1CN2C3=CC=CC=C3N=C2COC 1 3.618 2 1 -4.34886342575195 748241 COC1=CC=C(C=C1)C2=NN=C(O2)C3=CC4=CC=CC=C4OC3=O 1 3.067 2 4 3.9567489530171 748240 COC1=CC=C(C=C1)NC(=O)ON=C2C3=CC=CC=C3C4=CC=CC=C42 1 4.369 2 3 1.73826278679022 748239 COC1=CC=CC2=C1OC(=O)C(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 3.067 2 4 3.87503529603247 748238 CC1=CC=C(C=C1)NC(=O)ON=CC2=CC=C(C=C2)N(C)C 1 3.7 3 2 -1.72607312222583 748237 COC1=CC=C(C=C1)NC(=O)ON=CC2=CC=NC=C2 1 1.885 3 3 0 0.407039913739592 748236 C1=CC=C(C=C1)NC(=O)ON=CC2=CC=NC=C2 1 1.901 3 2 0 0.592309035875337 748233 C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=CC(=CC=C3)Cl 1 2.867 2 2 -14.9533783161414 748231 C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)F 1 2.408 2 2 -16.7144147348208 748227 C1=CC=C(C=C1)NC(=O)NC2=CC=CC3=NSN=C32 1 2.65 4 1 -4.16643104462206 748222 COC1=CC=CC(=C1)OC2=CC(=NC(=N2)N)Cl 1 2.782 3 2 -0.413693614971895 748221 CC1=CC(=NC(=N1)N)N2CCCCC2 1 1.106 4 0 0 -1.18983873394217 748219 C1=CC=C(C=C1)CNC2=CC(=NC(=N2)NCC3=CC=CC=C3)F 1 4.01 4 0 -0.719900396830339 748218 C1=CC=C(C=C1)CNC2=NC(=CC(=N2)F)F 1 2.665 3 0 -0.443169528429861 748215 COC1=CC=C(C=C1)OC2=CC(=NC(=N2)N)Cl 1 2.782 3 2 -0.135765946291906 748213 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCC(CC2)C(=O)N 1 2.214 3 2 -8.38828494005491 748212 CCC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C 1 2.831 3 2 -11.9700324267288 748210 C1COCCN1CC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CO3 1 2.239 2 3 -4.84712625865829 748209 COC1=CC=CC=C1OC2=CC(=NC(=N2)N)F 1 2.495 3 2 -2.79662837844903 748205 CCC1=C(NN(C1=O)C2=NC(=CS2)C3=CC=CC=C3)C 1 2.859 3 1 -1.52868201254829 748196 CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C 1 4.724 2 1 -8.86890207364059 748195 COC1=CC=C(C=C1)NCN2C(=O)CCC2=O 1 0.836 2 3 0 -9.24851248558722 748193 C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 2.075 1 4 -5.76110620654411 748172 CC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O 1 2.498 0 3 -4.83382442768114 748171 C1=CC(=C(N=C1)Cl)NC(=O)CSC2=NC(=O)C=C(N2)N 1 0.594 5 2 0 -15.7007947893944 748169 CC1=C(C=CC(=C1)Br)S(=O)(=O)N2C=CN=C2C 1 2.569 2 2 -2.23732369116599 748159 COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)F)C3=CC=CC=C3 1 4.355 2 2 0.131787561230109 748128 C1=CC=C2C(=C1)C(=C(C(=O)C2=O)C3=CC=CC=C3F)O 1 2.894 0 3 1.06230702676269 748124 CC1=CN(C(=N1)C)C(=O)C2=CC(=CC=C2)Br 1 2.663 2 1 -0.360041600945109 748118 CCC(CC)C(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC 1 2.589 1 5 -13.2077407250066 748115 CC1=CC(=NN1C(=O)COC2=CC=CC=C2[N+](=O)[O-])C 1 2.086 3 4 0 -11.680072799517 748112 C1CN(CCN1C2=CC=CC=N2)C3=NN=C(S3)C(F)(F)F 1 2.212 5 0 3.02959181776564 748110 CC1=CC(=CC=C1)N2CCN(CC2)C3=NN=C(S3)C(F)(F)F 1 3.31 4 0 6.48134711722441 748102 COC1=CC(=C(C=C1NC(=S)NCC2=CC=CO2)OC)Cl 1 3.909 2 3 -14.0517289317239 748087 CC1=C(C=CC=C1Cl)N2C(=NNC2=S)C3=CN=CC=C3 1 3.678 4 0 -1.9823174203993 748081 CC1=C(C=CC(=C1)Cl)N2C(=NNC2=S)C3=CN=CC=C3 1 3.678 4 0 -1.46027510101561 748079 CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CN=CC=C3)C 1 3.5 4 0 -4.19343032334704 748072 CC1=CC(=C(C=C1)C)N2C(=NNC2=S)C3=CC=NC=C3 1 3.5 4 0 -3.08777788508068 748071 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3F 1 3.429 2 2 -5.09553129141952 748070 CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CC=NC=C3)C 1 3.5 4 0 -2.80608660286481 748068 CC(=C1C(=O)C2=CC=CC=C2C1=O)NCC3=CC4=C(C=C3)OCO4 1 2.588 1 4 -4.76144983714666 748065 CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCC4=CC=CC=C4C3 1 3.43 1 2 -5.67380246406177 748060 CC1=CC(=NC(=N1)SC2=C(NN=C2C)C)C 1 2.127 4 0 4.12927137503622e-002 748058 CC1=CC(=C(C=C1)C)N2C(=C(C(=NC2=S)SC)C(=O)C)C 1 4.932 2 1 -5.91857739285684 748057 CCC(=O)C1=C2C(=CC=C1)NC3=C(C=N2)C(=O)CC(C3)(C)C 1 2.729 2 2 -19.0427748908174 748055 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 3.748 2 2 2.79023595558795 748054 COC(=O)CC1=CC(=O)N(N1)C2=NC3=CC=CC=C3S2 1 1.244 3 3 0 -3.23419137683118 748049 CC1=CC=C(C=C1)S(=O)(=O)CC2=NC(=O)C3=CC=CC=C3N2 1 2.357 2 3 -10.0110868140818 748047 C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)SCC(=O)O 1 3.123 1 3 -7.88988570521674 748042 CC1=CC(=C(C=C1)N2C(=NNC2=S)CC3=CC=CS3)C 1 4.639 3 0 -6.55222436593469 748036 CC1=CC(=NC2=CC=CC=C12)N3C4=CC=CC=C4N=N3 1 4.428 4 0 1.18398675527268 748028 C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)NC(=O)C4=CC=CC=C4 1 3.841 3 1 -5.44728942515493 748012 COC1=C(C=C(C=C1)C2=C(C(=O)N3CCSC3=N2)C#N)OC 1 2.033 3 3 -10.8982251968093 748005 CN1N=C(N=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3F 1 3.277 4 1 1.00167256032488 748003 CC1CCN(CC1)C(=O)C2=NON=C2NC(=O)C 1 0.305 4 3 0 -15.2444153514592 748001 CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC=C(C=C2)C#N 1 2.123 3 3 -11.8013067472847 747997 CC(C)CCN1C2=CC=CC=C2N=C1C3=NON=C3N 1 3.082 5 1 -3.50999094320926 747991 CC1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.176 2 3 -3.03512511791774 747990 CC1=C(C=C(C=C1)C(C)C)S(=O)(=O)NCC2=CC=CC=N2 1 3.069 2 2 -4.99411173861115 747986 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC3=CC=CC=C3N=C2)C 1 3.962 2 2 2.75337033781034 747985 CC1=CC(=C(C=C1)OC)S(=O)(=O)NCCN2CCOCC2 1 1.037 2 4 0 -8.4133017324078 747984 CC1=C(C=CC(=C1)S(=O)(=O)NCCN2CCOCC2)Cl 1 1.718 2 3 0 -5.64684841538246 747982 C1CCN(CC1)CC(=O)N2CCN(C2)S(=O)(=O)C3=CC=CC=C3 1 1.069 3 3 0 -19.2695572047108 747981 C1CN(CN1C(=O)CN2CCOCC2)S(=O)(=O)C3=CC=CC=C3 1 -0.16 3 4 0 -21.6681634156229 747980 CC1=CC=C(C=C1)SCC2=CN3C(=CC(=NC3=N2)C)C 1 3.577 3 0 0.892624779381861 747974 CC1=C(C(=CC=C1)OCC2=C(C=CC(=C2)/C=C/C(=O)C3CC3)OC)C 1 5.308 0 3 -4.39078368424245 747972 CC1=CC(=NC2=NC(=CN12)CSC3=NC4=CC=CC=C4N3)C 1 3.148 5 0 -2.68169033829199 747971 CC1=CC=C(C=C1)SCC2=CN3C=C(C=CC3=N2)Cl 1 4.061 2 0 1.72590589603082 747970 C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)CCCC(=O)O 1 1.126 2 4 0 -19.4275676917954 747969 COC(=O)NC1=CC=CC=C1C(=O)N2CCCCC2 1 1.924 2 3 0 -11.5372637665383 747966 C1=CC2=NC(=CN2C=C1)CSC3=CC=C(C=C3)Cl 1 3.575 2 0 2.29897643379329 747958 C1CCC2=NN=C(N2CC1)C3=CC=CC=C3Cl 1 3.417 3 0 -3.36051594386461 747951 CC1=CC(=NOC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=C(C1=O)C 1 3.086 1 6 0 -3.2044046523765 747948 CC1=C(C(=O)C=CC1=NOC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C 1 3.086 1 6 0 -2.03390373805815 747947 CN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C 1 2.361 4 2 -9.16395631057831 747943 CC1=CC(=O)C=CC1=NOC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.64 1 6 0 -1.66055869686865 747938 CC1=CC=CC=C1C(=O)NC2=NC(=C(S2)C(=O)C)C 1 2.411 2 2 -10.9470439037757 747934 CC1=CC(=C(C(=C1O)Cl)C)NS(=O)(=O)C2=CC=CC=C2 1 3.712 1 3 1.14403685967002 747932 COC1=CC=CC=C1C2=NN=C(O2)SCC(=O)OC 1 1.903 2 4 0 -14.9909093573715 747928 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C(=C2)C(C)C)O)C 1 4.242 1 3 -1.65069732391368 747923 CC1=C(C=C(C(=C1)O)C(C)C)NS(=O)(=O)C2=CC=CC=C2 1 3.756 1 3 -2.35841036881603 747916 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC(=O)O 1 3.699 2 2 -12.8305694977061 747914 C1=CC=C(C=C1)CCSC2=NC3=CC=CC=C3N2CCC(=O)O 1 4.269 2 2 -7.63305803015758 747913 C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2CCC(=O)O 1 3.948 2 2 -12.0224229161687 747912 CC1=C(C(=NC(=O)N1C2=CC=CC=C2)NCC3=CC=CC=C3)C(=O)C 1 2.819 3 2 -5.91206622099932 747905 CC1=CC=C(C=C1)OCC2=NN=C(S2)N 1 1.803 3 1 0 -0.148306321659302 747902 CC1=CC=C(C=C1)OC2=NS(=O)(=O)C3=CC=CC=C32 1 3.33 1 3 2.18980930990997 747900 CCC1=NN(C(=O)C2=CC=CC=C21)CC(=O)OCC 1 1.762 2 3 0 -11.2617392453701 747890 COC(=O)CCS(=O)(=O)C1=C(C=CC(=C1)Cl)Cl 1 2.64 0 4 -12.4547583823864 747881 C1=CC=C(C=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N 1 3.807 4 1 -7.44911495005568 747869 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC3=CC=CC=C32 1 2.358 4 3 0 -7.20363244103134 747868 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3CCCCC3 1 3.641 4 3 0 -3.69814104096756 747866 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)Cl 1 2.114 4 3 0 -4.49559579011568 747864 CC1=CC(=CC=C1)NC(=O)C2=C(C=NN2C)[N+](=O)[O-] 1 1.936 4 3 0 -4.42994892737336 747861 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)OC 1 1.434 4 4 0 -6.37385529515897 747857 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC=NN2C 1 2.178 3 3 -18.3740205542263 747845 C1=CC(=O)OC(=C1)C2=CC=C(C=C2)Br 1 2.82 0 2 -0.689986086732604 747842 CC1=C(C(=S)NC(=C1CC2=CC=CC=C2)C)C#N 1 3.503 2 0 -6.9001115650585 747807 C1CC1C2=NC3=C(C(=C2)C4=CC=CC=C4)C(=C(S3)C#N)N 1 3.722 3 0 0.342720179352283 747803 CC1=CC2=C(C=C1)C3=C(C2=O)C(=CC=C3)C(=O)O 1 3.038 0 3 -6.3637873923026e-002 747788 C1COCCN1C(=S)C2=CC=CC=C2OC(=O)C3=CC=CC=C3 1 3.787 1 3 -10.3145882427501 747784 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 1.13 2 3 0 -6.32870472897557 747783 C1COCCN1C(=S)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3 1 3.787 1 3 -12.7654583366622 747780 C1CCN(CC1)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3 1 5.016 1 2 -9.79404875689625 747776 COC(=O)C1=CC=CC=C1C(=O)C2=CC=CC3=CC=CC=C32 1 3.998 0 3 -3.61723776330705 747746 COC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.392 3 3 -6.25556248381098 747732 COC1=CC=C(C=C1)S(=O)(=O)N2CCSCC2 1 1.362 1 3 0 -11.7028451666336 747731 CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC=CC=C2 1 2.366 3 3 -7.9285638995317 747727 C1=CC=C(C=C1)CN2C=CN=C2SCC(=O)N 1 1.444 3 1 0 -10.357388352723 747722 C1=CC=C2C(=C1)C(=O)N(C2=O)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O 1 1.15 2 6 0 -7.45704282697003 747695 CC1(CC(=O)C(=CN2CCOCC2)C(=O)C1)C 1 0.392 1 3 0 -9.61402348832392 747688 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2 1 2.436 2 3 -20.8538239769841 747685 C1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O 1 2.342 1 5 -7.78346100052743 747675 C1=CC=C2C(=C1)C(=O)C(=CNC3=CC=C(C=C3)F)C2=O 1 2.783 1 2 -0.805962978496522 747673 CC1(CC(=O)C(=CNCC2=CC=CC=N2)C(=O)C1)C 1 0.817 2 2 0 -12.13335753899 747667 CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=N 1 3.169 2 3 -4.91032940949371 747663 C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)C3=NC=CS3 1 1.065 2 4 0 -7.59868119747564 747657 C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)Cl 1 3.207 3 1 -3.80245870697054 747648 C1CCC(=NNC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C1 1 2.918 4 2 -1.06884508970575 747646 CC(C)C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2 1 2.658 2 1 -5.74434050395246 747621 C1=COC(=C1)CNC(=O)C2=CC(=C(C=C2C(=O)O)Cl)Cl 1 2.761 1 4 -10.0797923956393 747620 C1=CC(=CN=C1)NC(=O)C2=CC(=C(C=C2C(=O)O)Cl)Cl 1 2.422 2 3 -5.11319376708732 747569 C1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 3.122 3 2 -13.6826212434207 747546 C1CCN(CC1)C2(CCN(CC2)C(=S)NC3=CC=CC=C3)C(=O)N 1 2.999 4 1 -13.5492419422126 747542 C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=C(C=C3)F 1 3.005 5 0 -6.16089050861692 747537 CC1=CC(=C(C=C1)C)NN=C2CCCNC2=O 1 2.337 3 1 -10.1918587191827 747520 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NCC2=CC=CC=C2 1 1.457 4 3 0 -10.2586873893414 747516 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=NN2C 1 0.676 4 2 0 -12.7128190071587 747514 CC1=C(C=C(C=C1)NC(=O)C2=C(C=NN2C)[N+](=O)[O-])C 1 2.422 4 3 0 -6.56550929534261 747511 CN1C2=CC=CC=C2N=C1NC(=O)C3=CC=C(C=C3)F 1 3.083 3 1 -2.95241517941995 747500 CC1=CC(=NC(=N1)NC(=S)N)C 1 0.915 4 0 0 -4.74584754406036 747498 CC1=CC(=NN1CC(=O)NC2=CC=C(C=C2)C(=O)C)C 1 1.284 3 2 0 -16.142363994342 747476 C1=CC=C(C=C1)C2=CN=NN2C3=CC(=CC=C3)N 1 2.652 4 0 1.6617514958962 747474 C1=CC=C(C=C1)C2=CN=NN2C3=CC(=CC=C3)[N+](=O)[O-] 1 3.293 4 2 -1.51166631642839 747473 C1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)[N+](=O)[O-] 1 3.293 4 2 -2.01318474339877 747472 CC(C)(C)C1=CN=NN1C2=CC(=CC=C2)[N+](=O)[O-] 1 3.175 4 2 -4.71919599994301 747469 CC(=O)C1=CC=C(C=C1)N2C(=CN=N2)C(C)(C)C 1 3.02 3 1 -7.84561963848388 747467 CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)[N+](=O)[O-] 1 3.175 4 2 -5.31810865343817 747466 CC1=CN=NN1C2=CC(=CC=C2)[N+](=O)[O-] 1 1.629 4 2 0 -3.19539666788929 747462 COC(=O)C1=CN(C2=CC=CC=C21)C(=O)OC 1 2.612 1 4 0.891300536767561 747460 CC1=CC(=NO1)NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-] 1 2.396 3 4 0 -14.8780991557426 747441 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CO3 1 1.263 3 3 0 -9.71580803783313 747440 C1=CC=C(C=C1)C(=O)NN2C=NC3=CC=CC=C3C2=O 1 1.789 3 2 0 -7.12428481468323 747439 CCN1C(=O)C2=CC=CC=C2NC1=O 1 1.119 2 2 0 -5.33362114012902 747422 C1COCCN1C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4 1 1.225 5 2 0 -12.5435250722284 747414 CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.938 2 3 0 -8.43351278188622 747413 CC1=NC(=C(O1)NC)S(=O)(=O)C2=CC=CC=C2 1 1.563 2 3 0 -13.683704698973 747410 CC1=NC(=C(O1)N(C)C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.58 2 3 -7.43543374150764 747408 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C)NCC3=CC=CC=C3 1 3.632 2 3 -13.1947328863925 747407 C1CCCN(CC1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4 1 2.911 5 1 -10.9544389495156 747398 C1CSCCC1=NOC(=O)C2=CC=CC=C2 1 2.114 1 2 2.09367301696072 747392 CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN(CCO)CCO 1 3.383 1 3 7.42643734720467 747391 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=CO2)C3=CC=CC=C3 1 3.449 2 4 -5.94701582971605 747390 CC1=CC=C(C=C1)S(=O)(=O)N=C2CN(C(=O)N2C)C 1 0.503 3 3 0 -7.06431477181826 747387 COC(=O)C1CCN(CC1)C(=O)CC2=CC=C(C=C2)Br 1 2.354 1 3 -8.56602130468749 747378 CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=O)S2)C 1 4.579 2 1 -5.85740423809107 747368 CC1=CC(=C(C=C1C(C)C)S(=O)(=O)N2CCOCC2)OC 1 2.298 1 4 -13.2697332182036 747366 CCN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 1.95 1 2 0 0.867762545527683 747361 CC1=CC(=NN1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C 1 1.953 3 4 0 -11.8890898031449 747358 CC1=CC(=NN1S(=O)(=O)C2=C(C=CC(=C2)Br)OC)C 1 2.791 2 3 -9.700279802468 747356 CC(C)NC(=O)CSCC1=CC(=CC=C1)Br 1 2.913 1 1 -16.1633224815743 747350 COC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)NC3=CC=CC=N3 1 2.598 2 3 -1.37436920822409 747343 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCC3=CC=CC=C32 1 3.702 1 3 -11.3628971207383 747323 COC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)C3=CC=CC=C3 1 2.997 3 2 -8.28115747509873 747315 C1CCC2=C(C1)C(=C(C(=S)N2)C#N)C3=CC=NC=C3 1 2.505 3 0 -7.80662083539978 747305 CC1(C(=NC(=[N+]1[O-])C2=CC=C(C=C2)OC)C3=CC=CC=C3)C 1 3.075 2 2 1.78428735171225 747288 CC1=NC(=C(C(=C1)COC)C#N)NC2=CC=CC=C2OC 1 2.717 3 2 -5.43688715730715 747279 C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.825 1 3 -12.3610238620536 747246 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.331 1 3 -2.20828634652087 747239 C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C(=O)N 1 2.464 2 2 3.7677619032183 747211 C1=CC=C(C=C1)CC2=NOC(=N2)C3=CC=C(C=C3)Cl 1 3.844 2 1 1.75022510683224 747204 CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O 1 3.9 1 3 -10.8592815921193 747201 C1CC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=CC=C3F 1 3.163 1 3 -12.1661677374889 747191 CC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.704 1 4 -7.245390255697 747185 CC1=CC2=C(C=C1C)N=C(N2)SCCN3CCCC3 1 4.001 3 0 -0.505440229616051 747184 CC1=CC2=C(C=C1C)N=C(N2)SCCN3CCOCC3 1 3.227 3 1 -3.25851495469622 747166 CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)CO)C 1 2.561 1 3 -6.29369900724913 747161 CCC(=O)NC1=NN=C(S1)CCC2=CC=CC=C2 1 2.507 3 1 -11.032171326498 747120 CC1=C(C=C(C=C1)C(=O)CNC2=CC=CC=C2OC)C 1 3.85 1 2 -4.85432149052676 747118 CC1=CC2=C(C=C1)NC(=O)C=C2C(=O)OCC(=O)C3=CC=CC=C3 1 2.81 1 4 -14.2337351289315 747117 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=N3 1 2.037 3 3 -18.3952430620702 747107 COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)OC 1 2.453 1 4 -8.58994604182425 747076 CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCCCC3 1 2.924 1 4 -14.7738127644209 747064 CC1=CC(=NO1)NS(=O)(=O)C2=CC=CC=C2 1 1.456 2 3 0 -12.2969287538822 747052 C1=CC=C(C(=C1)C(=O)C2=NC3=CC=CC=C3N2)[N+](=O)[O-] 1 3.05 3 3 -1.34840858433843 747037 CN1C2=C(C=NC=C2)N=C1C3=CC(=C(C=C3OC)OC)OC 1 2.276 3 3 -1.3199219519373 747023 CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)CCl 1 1.906 3 2 0 -18.1229980152205 747022 CCOC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C 1 4.286 2 1 8.64721521189721 747021 CC(=O)NC1=CC(=CC=C1)NS(=O)(=O)C 1 -0.139 2 3 0 -7.32880388140905 747018 CC1=CC(=NC2=CC=CC=C12)N3CCN(CC3)C 1 2.541 3 0 6.77871052653703 747014 CC1=CN=NN1C2=CC=C(C=C2)C(=O)C 1 1.474 3 1 0 -6.32182030643016 747011 CC1=CC(=NC2=CC=CC=C12)NCC3=CC=CC=N3 1 3.025 3 0 5.71965368139193 746967 CC1=CC(=C(C2=C1C=CC(=N2)C(=O)O)O)C 1 2.805 1 3 0.398240884488456 746941 C1=CC=C(C=C1)NC(=O)CC2=CC(=CC=C2)C(F)(F)F 1 3.591 1 1 -1.30307206252517 746928 CN(C)C1=C(C(=NC=C1)NCC2=CC=CC=C2)C#N 1 2.179 4 0 -8.1398854416968 746923 CC1=C(SC(=C1C(=O)OC)NC(=O)C)CC2=CC=CC=C2 1 2.923 1 3 -9.61406448274453 746914 C1CC(=O)N(C1)CC(=O)N2CCOCC2 1 -1.212 2 3 0 -22.1950881188977 746912 COC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=CS3 1 3.495 2 2 -2.38868235287298 746911 COC(=O)C1=CC=CC=C1NC(=O)NC2CCCCC2 1 2.66 2 3 -14.7439605929228 746910 CC(=O)NC1=C(C=C(C(=C1)C(=O)O)OC)N(C)C 1 0.725 2 4 0 -9.80692516690448 746909 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3F 1 3.747 2 2 -1.57498040383959 746903 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3F 1 3.931 2 1 -2.52047381965095 746892 C1CN(C2=CC=CC=C21)C(=O)NC3=CC=CC=C3 1 2.803 2 1 -8.49381175205572 746888 CC1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C32 1 3.381 1 1 -9.58782703459408 746867 C1=CC=C(C=C1)/C=C/C=C/2\C(=O)NC(=S)N2 1 2.298 2 1 -0.286157753462232 746863 CC(C)(C)C(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31 1 4.88 1 1 -5.81082937510244 746862 CCN1C(=O)C2=C(N=C3N2CCS3)N(C1=O)C 1 1.15 4 2 0 -7.7711866757889 746851 C1CCC2=C(C1)C3=CC=CC=C3N2C(=O)C4=CC=CC=C4F 1 5.366 1 1 -0.41965944069072 746814 C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)N 1 1.064 3 2 0 -3.8185624078483 746813 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2 1 0.913 2 3 0 -8.91268668258442 746807 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O 1 2.197 1 3 -6.63791673149428 746779 COC1=C(C2=NC=CN=C2C=C1)[N+](=O)[O-] 1 1.172 3 3 0 -1.08969126547939 746778 C1=CC=C(C=C1)C2=NC(=O)NC(=C2)C(F)(F)F 1 2.617 2 1 -0.500047467920182 746770 CC(=O)NC1=CSC2=CC=CC=C21 1 1.812 1 1 0 -4.92686538585897 746769 C1CN(CCC1=NNC(=O)C2=CC=CC=C2)CC3=CC=CC=C3 1 2.762 3 1 -6.11575487866853 746752 C1COCCN1C2=NC3=C(C=CC=C3O)C=C2 1 1.543 2 2 0 4.75909492325954 746713 C1=CC=C2C(=C1)N=CN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.367 2 2 -3.28842506905246 746711 CC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=CC=CC=C32 1 3.188 2 2 -5.11042375963927 746708 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=NC=CN=C2 1 0.636 4 3 0 -9.44363631782954 746707 CC1=CC(=C(C=C1)NC(=O)C2=NC=CN=C2)C 1 1.714 3 1 0 -10.0596478855861 746705 CC1=CC=C(C=C1)NC(=O)C2=NC=CN=C2 1 1.228 3 1 0 -7.38761658338445 746699 C1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)C(=O)NC3=CC=CC=C3 1 2.677 3 2 -10.5942030154907 746696 CC1=NC=C(C=C1)CCSC2=CC=C(C=C2)C(C)C 1 4.602 1 0 0.923272578994633 746692 CCSC1=NN=C(S1)NC(=O)C2=CN=CC=C2 1 1.37 4 1 0 -16.68174362232 746691 CCOC1=CC=CC=C1NC2=NC(=CS2)C3=CN=CC=C3 1 2.868 3 1 3.85688931826918 746686 CC1=CC(=CC=C1)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O 1 3.086 2 2 -0.107305994187484 746678 CCOC1=CC=CC=C1NC2=NC(=CS2)C3=C(N=C(S3)C)C 1 3.309 3 1 6.51736028306775 746677 CC1=NC=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.793 1 2 -6.93888125565473 746667 CCC1=CC=CC=C1NC2=NC(=CS2)C3=CN=CC=C3 1 3.478 3 0 6.09927091671143 746659 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=NC=C2 1 1.981 2 2 0 -3.76557840821741 746646 C1=CC=C(C=C1)CNC2=NC(=CS2)C3=CN=CC=C3 1 2.543 3 0 3.28320059484151 746643 C1CN(C2=C(C(=O)NC=C21)C#N)CC3=CC=CC=C3 1 0.904 3 1 0 -7.93522393516881 746641 C1=COC(=C1)CNC2=NC(=CS2)C3=CC=CS3 1 2.829 2 1 3.20290833109959 746630 C1C/C(=C(/C#N)\C(=O)C2=CC=CC=C2)/NC1 1 1.653 2 1 0 -11.35125180972 746617 C1=CC(=CN=C1)C2=CSC(=N2)NC3=CC=C(C=C3)Br 1 3.284 3 0 6.62524256637216 746614 CN(C)/C=C/C1=C(C2=C(N1C3=CC=CC=C3)C=C(C=C2)O)[N+](=O)[O-] 1 3.858 3 3 4.89057751228185 746610 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O 1 3.047 2 5 0 -10.6543152465867 746609 C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=NC=C3 1 2.536 3 0 8.0738962307671 746603 C1=CC=C(C=C1)CCNC2=C(C(=O)OC3=CC=CC=C32)N 1 1.842 2 2 0 -2.18830409730041 746592 C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O 1 3.047 2 5 0 -7.3709606706228 746585 CC1=C(C(=O)N=C(N1)C2=CC=CC=C2)CC(=C)C 1 2.845 2 1 -9.39756395972999 746584 CC1=CC(=NC(=N1)C2=CC=CC=C2)N(C)CC3=CC=CC=C3 1 3.618 3 0 5.10762719830306 746550 CC1=CC=C(C=C1)N=CC=C2OC(C(O2)(C)C)(C)C 1 3.861 1 2 7.29351303463155 746545 CC1(CC(=O)C(=CNC2=CC=C(C=C2)OC)C(=O)C1)C 1 2.007 1 3 -9.4764516321186 746520 C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)NN 1 3.079 4 1 -12.7916100831501 746519 C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O 1 4.424 0 4 -2.01442807246354 746518 COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2NN)SC4=C3CCCC4 1 3.063 4 2 -12.9432730971521 746517 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)NN)C)C 1 0.658 4 2 0 -15.9183408261844 746513 C1=CC(=CC=C1CNC(=O)CCC(=O)O)C(=O)O 1 0.432 1 5 0 -16.2318116698792 746504 CC1=C(C=C(C=C1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C 1 5.494 0 3 -5.57658249376913 746485 C1=CC=C(C=C1)/C=C/SC2=NC=CC(=O)N2 1 1.973 2 1 0 -4.72072282131017 746478 CCN1C2=CC=CC=C2C3=NC4=CC=CC=C4N=C31 1 3.969 3 0 -1.13306674526439 746462 C1CSC2=CC=CC=C2C1=NOC(=O)C3=CC=C(C=C3)F 1 3.806 1 2 0.542724096779165 746456 C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)O 1 3.057 2 2 -17.3214398760874 746455 C1CCC2=NN=C(N2CC1)C3=CC=CC=C3N 1 2.006 4 0 -5.21058794011102 746449 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3 1 2.634 0 4 -2.49540308492221 746425 C1CC(=NO)C2=CC=CC=C2SC1 1 2.434 1 1 -2.64855066498523 746424 CC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OC)C 1 3.85 0 3 -0.466389495545857 746422 C1CCC(CC1)CCC(=O)NC2=NCCS2 1 3.266 2 1 -15.5052311919193 746405 CC1(CC2=C(C=CC3=CC=CC=C23)C(=O)N1)C 1 2.603 1 1 -2.8951288694667 746389 CC1=C(C(=NN1C(=O)C2=CC=CO2)C)SC3=CC=C(C=C3)Cl 1 4.534 2 2 2.32999055995476 746381 C1CCN(CC1)C(=S)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl 1 6.118 1 1 5.03565012543345 746376 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.346 2 3 -11.6189882866843 746367 C1=CC=C2C(=C1)C(=CC=C2O)NS(=O)(=O)C3=CC=C(C=C3)F 1 3.189 1 3 1.47310195199538 746366 CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CS3 1 3.994 3 2 -15.3812735618079 746362 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C3=CC=CC=C32)O 1 3.956 1 3 0.540711565172376 746318 C1=CC=C(C=C1)NC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O 1 2.996 4 2 -13.6812694925586 746299 C1=CC(=CN=C1)C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3 1 2.962 2 2 -5.09698081855415 746295 C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=O)N2N 1 1.909 4 1 0 -5.51986089688712 746288 CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=C(C3=CC=CC=C32)O)C 1 3.956 1 3 2.20628484370544 746277 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC3=NC4=CC=CC=C4S3 1 3.575 1 4 -6.61016371117438 746263 CC1=C(C=C(C(=N1)C)NC(=O)OC(C)C)NC(=O)OC(C)C 1 2.224 3 4 0 -6.19181016800616 746257 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)OCC 1 1.561 2 4 0 -8.35055363652098 746249 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)OC 1 1.212 2 4 0 -9.10525719126049 746246 CCN(CC)C(=O)NC1=C(N=C(C(=C1)C(=O)OCC)C)C 1 1.468 3 3 0 -8.60630901603119 746207 C1CCC2=C(C1)C(=C(C(=S)N2)C#N)C3=CC=CO3 1 3.051 2 1 -6.88764150006023 746186 CS(=O)(=O)N1CCN(C1)C(=O)C2=CC=CC=C2 1 0.233 2 3 0 -16.4072631164241 746182 COC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C4=CC=C(C=C4)OC 1 5.027 2 2 1.43152876617471 746157 COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C3=CC=CO3 1 2.142 1 4 -17.4986473889349 746156 COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C3=CC=CC=C3 1 2.746 1 3 -18.4775325313737 746147 CN(C)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)CCCC3 1 3.164 3 1 -10.2427951357903 746140 CN1C2=CC=CC=C2N=C1CCC3=CC=C(C=C3)N 1 3.22 3 0 2.71555343239529 746127 CCC1=CC=CC=C1NC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 3.345 1 3 -7.7893651773405 746082 CC(=C)CN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C 1 1.322 4 4 0 -18.8288870266814 746091 CC1=CC=C(C=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.888 1 3 -5.59096030158169 746096 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=O)C4=CC=CC=C4O3 1 3.139 1 3 -10.3250903223134 746094 CCOC(=O)C1=C(SN=N1)NC(=O)C 1 0.252 3 3 0 -12.0215040493051 746092 CC1=CC=CC=C1NC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.888 1 3 -8.23375627980894 746070 COC1=NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3 1 4.588 2 1 6.48020412029671 746061 COC1=CC=C(C=C1)C2=CN3C=CC4=CC=CC=C4C3=N2 1 3.409 2 1 2.68637685465236 746058 CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)OC)C(=O)C 1 3.775 1 2 -2.40142775077141 746044 CN(C)C1=C2C(=CC=C3C2=C(COC3)C=C1)N(C)C 1 2.62 2 1 -2.92055932591671 746043 CN(C)C1=C2C(=CC=C3C2=C(C=C1)C(=O)OC3)N(C)C 1 2.671 2 2 -4.29785934482938 746042 CN(C)C1=C2C(=C(C=C1)C=NO)C=CC=C2N(C)C 1 2.889 3 1 1.90213808831532 746040 C1C(=NN2C(=NN=C2S1)C3=CC=CO3)C4=CC=CC=C4 1 3.115 4 1 -1.1865002431553 746025 COC1=CC=C(C=C1)CC2=NN(N=N2)CC(=O)O 1 1.005 4 3 0 -8.36304376459245 746024 CC(=O)NN1C=C2C(=C1)N(C(=O)N(C2=O)C)C 1 -0.555 4 3 0 -12.4317715158503 746021 CC1=CC(=CC=C1)N2C=C3C(=C2)N(C(=O)N(C3=O)C)C 1 2.338 3 2 -3.87398194544555 746019 C1COCCN1CCNC(=O)COC2=CC=CC=C2O 1 0.457 2 4 0 -8.02317805804225 746007 C1CC2=CC=CC=C2N(C1)C(=O)CN3C=C(C4=CC=CC=C43)C#N 1 3.581 3 1 -11.8994425768664 746004 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C(=O)NC3=NC=CS3 1 1.791 3 3 0 -8.25795957260546 745996 CC(=O)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)O2 1 2.908 1 4 -7.64683437443378 745995 CC1=CC=CC=C1C2=NC3=C(C=CC(=C3)OC(=O)C)C(=O)O2 1 3.394 1 4 -7.15316528803294 745958 COC1(CCCCC1)C2=NC(=NC(=C2)C3=CC=CC=C3)N 1 3.719 3 1 3.26291421701203 745957 C1OC2=C(O1)C=C(C=C2)C3=CSC(=C3C#N)N 1 2.035 2 2 2.39060724561999 745956 CN(C)C1=NC(=NC(=N1)N)C2=CC=CO2 1 0.798 5 1 0 1.32332971895719 745954 CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)CC(C)C 1 4.262 2 2 3.18738896366682 745919 CC1=CC(=NN1CC(=O)NN=C(C)/C=C/C2=CC=CC=C2)C 1 2.051 4 1 -12.7533380127816 745908 CC1=CC=C(O1)C=NNC(=O)CN2C(=CC(=N2)C)C 1 1.153 4 2 0 -14.5839443456373 745905 CC1(CC(=O)C(=CNC2=CC=CC=C2C(=O)O)C(=O)C1)C 1 1.653 1 4 0 -11.7375433592847 745902 CC1=CC(=NN1CC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])C 1 1.507 5 3 0 -16.5776224519833 745901 CC1=CC(=NC2=NN=NN12)C3=CC=CC=C3 1 1.465 5 0 0 -8.60475381815063 745896 C1=CC(=CC=C1C2=CC=C(O2)CCO)Cl 1 3.129 0 2 9.54932741469521 745890 CC1=CC(=NN1CC(=O)NN=CC2=CC=CO2)C 1 1.008 4 2 0 -14.4415275658581 745879 CN(C)S(=O)(=O)C1=CC2=C(C=C1)N3CCCC3=N2 1 1.184 3 2 0 -8.1544929980169 745878 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.445 2 3 0 -23.6594864497959 745872 CC1=CC(=NN1CC(=O)NN=CC2=CC=CS2)C 1 1.566 4 1 0 -15.441582621315 745870 CC(=O)NC(=O)C1=CC=C(O1)C2=CC=C(C=C2)Cl 1 2.691 1 3 1.63563139449405 745860 CN1C=NC2=C1C=CC(=C2)NCC3=CC=C(C=C3)Cl 1 3.608 3 0 2.11232513551808 745858 CC(=O)NC1=CC2=C(C=C1)N(C=N2)C3=CC=CC=C3OC 1 2.232 3 2 -6.49408215230386 745853 CN(C)C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=CC=C3 1 1.969 3 2 0 -8.45744423800737 745851 COC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=CC=C3 1 2.411 2 3 -9.14602751686855 745849 CC1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C 1 2.162 3 2 -12.0133092918764 745846 CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=C(C=C3)Cl)Cl 1 3.945 2 1 1.34259309421689 745831 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2)S(=O)(=O)C 1 1.915 2 4 0 -13.540013299735 745830 CCC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32 1 3.44 2 1 -6.9626586418138 745801 CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CC3=C(C=C2)OCO3)C 1 2.152 4 3 0 -13.5237566090412 745800 CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CN=CC=C2)C 1 1.233 5 1 0 -11.691236809653 745784 CCOC(=O)C1=C(SC2=C1C=CC(=C2OC)Br)N 1 3.005 1 3 -0.219691692255506 745769 C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)Cl 1 3.181 2 0 3.17423240499636 745733 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)O 1 2.706 1 3 -1.41897275551802 745721 CC1=CC=CC=C1C2=NOC(=N2)C3=CC=C(C=C3)Cl 1 4.295 2 1 8.76032103853639 745717 C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)NN 1 3.159 4 0 13.3409879021048 745713 CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=N 1 2.832 2 2 -8.82269227870638 745687 CC1=C(C2=CC=CC=C2N1)C(=O)COC3=CC=CC=C3 1 3.508 1 2 9.13565836892298e-002 745683 CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=CC=CC=C3 1 4.066 1 1 1.01993195067918 745665 CC1=C(SC(=S)N1C)NC(=O)NC2=CC=CC=C2Cl 1 3.978 3 1 -6.5739012327739 745660 C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)F 1 3.148 1 1 -6.30831775473965 745642 C=CCN1C(=NNC1=S)CC2=NC3=CC=CC=C3N2 1 2.675 5 0 -9.29696425069144 745633 CCOC(=O)CN1C(=C(C(=C(C1=O)C#N)COC)Br)C 1 0.507 2 4 0 -10.0482449126913 745631 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)NC(=O)C3=C(N=CC=C3)Cl 1 2.517 3 3 -3.17606908048997 745625 CCOC(=O)CNC1=CC2=C(C=C1)OCO2 1 1.462 1 4 0 -9.73410916966015 745623 C1=CC=C(C(=C1)NC2=NC(=O)C(S2)(CO)CO)Cl 1 1.566 2 3 0 -0.816447949049454 745617 COC1=CC=C(C=C1)NC2=NC(=O)C(S2)(CO)CO 1 0.885 2 4 0 -3.32013327299527 745616 C1C(=O)N=C(S1)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.776 3 3 0 -8.94543716862222 745615 C1=CC(=CC=C1C(=O)O)NC2=NC(=O)C(S2)(CO)CO 1 0.531 2 5 0 -6.05646156825647 745614 C1=CC(=CC(=C1)NC2=NC(=O)C(S2)(CO)CO)C(=O)O 1 0.531 2 5 0 -5.6041150213853 745613 CC(=O)C1=CC=C(C=C1)NC2=NC(=O)C(S2)(CO)CO 1 0.641 2 4 0 -7.52907583625407 745612 CC(=O)C1=CC(=CC=C1)NC2=NC(=O)CS2 1 1.622 2 2 0 -10.3676075989045 745611 CC1=CC=C(C=C1)NC2=NC(=O)C(S2)(CO)CO 1 1.388 2 3 0 -2.90716706385113 745610 CC1=CC=CC=C1NC2=NC(=O)C(S2)(CO)CO 1 1.388 2 3 0 -1.79087260683524 745609 C1=CC=C(C=C1)NC2=NC(=O)C(S2)(CO)CO 1 0.901 2 3 0 -3.06382120222448 745587 C1CN(CN(C1)CC2=CC=CC=C2O)CC3=CC=CC=C3O 1 3.005 2 2 4.92025209096388 745583 C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)NC(=S)N3 1 1.598 2 3 0 -9.3324621803813 745572 CC1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NC(=NC(=N3)N)N 1 3.16 5 1 6.46988143307956 745568 CC1=CC=C(C=C1)NC(=O)C2=C(N=CN2)C(=O)NC3=CC=C(C=C3)C 1 2.978 4 2 -7.80484962878931 745557 C1C(=O)N=C(S1)NC2=C(C(=CC=C2)Cl)Cl 1 3.211 2 1 -5.39053753338751 745548 C1COCCN1C(=O)C2=C(OC3=C2C=C(C=C3)O)C4=CC=CC=C4 1 2.803 1 4 -0.427344604441991 745537 CCOC(=O)C1=CC=C(C=C1)NC(=O)OC2=CC=CC=C2 1 3.374 1 4 -5.46082604833054 745534 CCSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CO2)C#N 1 2.572 4 1 -5.54249629077965 745532 CCCC(=O)NC1=C(N(N=C1C)C(=O)CCC)C 1 2.058 3 2 -12.2336382425249 745523 C1COCCN1C2=NC=NC3=C2C=NN3CC4=CC=CC=C4 1 1.452 5 1 0 -1.79012434281614 745476 C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)Br 1 3.501 3 0 -2.34623618920647 745473 C1COCCN1C(=O)C2=CC(=C(C=C2Cl)F)F 1 2.007 1 2 -5.75246914544408 745463 C1CSC(=N1)NC(=O)CNC(=O)C2=CC=CC=C2F 1 1.367 3 2 0 -19.5941104440343 745457 C1CSC(=N1)NC(=O)CNC(=O)C2=CC=CS2 1 1.115 3 2 0 -19.0058460659359 745442 C1=CC=C(C=C1)C(=O)NN=C2C(=CC3=CC=CC=C3O2)C(=O)N 1 1.956 3 3 0 -7.85926200027113 745439 CN1C=CN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.156 3 3 -5.26015095650905 745427 CC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.788 3 3 0 -0.604044153441631 745411 CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 0.466 4 3 0 -16.7535993398036 745404 CCC1=NN=C(S1)NC(=O)C2=CC=CS2 1 1.969 3 1 0 -12.9622697776805 745396 CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OC 1 1.999 3 2 0 -12.7472863624796 745391 CCC1=NN=C(S1)NC(=O)C(C)C 1 1.481 3 1 0 -14.0953646546377 745385 CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)Br 1 2.097 3 1 -10.817226261995 745384 CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)Br 1 2.097 3 1 -10.7406948929577 745382 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CC=CC(=C4)C(=O)O 1 2.977 1 4 -6.36092888070006 745381 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CC=C(C=C4)O 1 3.105 1 3 8.45539737624198e-002 745376 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C 1 3.106 2 1 -10.4940031274159 745369 CC1=C(C=C(C=C1)C(=O)NC2CC(NC(C2)(C)C)(C)C)Cl 1 2.928 2 1 -11.6822359667206 745365 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2CCCCC2 1 1.732 4 3 0 -9.47343400372987 745362 CCC(=O)NC1=C(NN=C1C)C 1 0.489 3 1 0 -4.39642900286135 745354 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CS3 1 3.493 2 1 1.97593682324358e-002 745328 C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)NC4=CC=CC=C4)N 1 2.623 4 1 -12.4701112861448 745324 CC1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C3=NNC(=S)O3 1 5.566 4 1 -7.39401583321422 745321 CSC1=NN=C(O1)C2=CC=C(C=C2)NC(=S)N 1 2.463 4 1 -4.34264874489414 745301 COC1=CC=CC(=C1)NC2=NC3=CC=CC4=C3C2=CC=C4 1 3.513 2 1 5.57041683720811 745299 COC1=CC=CC=C1NC2=NC3=CC=CC4=C3C2=CC=C4 1 3.513 2 1 3.88900020282737 745291 COC1=C(C=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2O)OC 1 2.88 0 5 -1.53211703870575 745273 C1=CC=C(C(=C1)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)Cl 1 4.011 1 2 -0.305429892766125 745258 CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)N2 1 0.899 3 2 0 -10.9780532419116 745205 C1=CC=C2C(=C1)N3C(=N)C(=CN=C3S2)C#N 1 1.877 4 0 0 -6.43148266656915 745194 C1COCCN1CC(=O)NN=CC2=CC=C(C=C2)C(=O)O 1 -2.692 3 4 0 -9.44323498792134 745172 C1CCC2(C1)OC(=O)C(=CC3=CNC4=CC=CC=C43)C(=O)O2 1 3.114 1 4 2.87858108952177 745169 COC1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-])OC 1 3.095 1 5 -6.74444686487275 745157 C1CN(CC=C1)C(=O)NC2=CC=C(C=C2)Cl 1 2.424 2 1 -1.934048560844 745143 CCOC1=C(C=CC(=C1)/C=C\2/C(=NOC2=O)C)OCC3=CC=CC=C3 1 3.612 1 4 -2.31016020624266 745141 CCOC1=C(C=CC(=C1)/C=C/2\C(=NOC2=O)C)OCC3=CC=CC=C3 1 3.612 1 4 -2.31016020624266 745131 CC1=CC(=NC(=N1)C2=CC=CC=C2)N3C=CC(=O)NC3=O 1 1.433 4 2 0 -3.5321047094785 745113 CCOC(=O)C1=CC=C(C=C1)N2C(=C(CC2=O)C(=O)OC)C 1 1.559 1 5 0 -12.1431834328965 745111 CC1=C(CC(=O)N1C2=CC(=CC(=C2)Cl)Cl)C(=O)OC 1 2.683 1 3 -6.18011281737884 745098 CN1C2=CC=CC3=C2C(=CC=C3)N(C1=O)C 1 2.013 2 1 -2.96236871187514 745096 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744426 C1CCN(CC1)C(=O)C2=CC(=C(C=C2Cl)F)F 1 3.236 1 1 -4.1841726956685 744423 CC(C)(C)NC1=NC(=NC(=N1)NC2=CC=CC=C2)Cl 1 3.023 5 0 -5.94926257517064 744412 CC(C)OC1=CC=C(C=C1)NC(=O)N 1 1.45 2 2 0 -3.48621118285683 744406 CN1CCN(CC1)C(=S)SCC(=O)N2CCCC3=CC=CC=C32 1 3.535 3 1 -10.7310037782049 744403 COC1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C32 1 2.878 1 2 -10.0007932437382 744402 COC1=CC=C(C=C1)N2C(=C)C3=CC=CC=C3NC2=O 1 2.715 2 2 1.25093962675441e-002 744400 CC1=CC=C(C=C1)N2C(=C)C3=C(C=CC(=C3)C)NC2=O 1 3.703 2 1 0.9458071045421 744399 CC1=CC=C(C=C1)N2C(=C)C3=CC=CC=C3NC2=O 1 3.217 2 1 0.425475605411685 744397 CC1=CC(N(C2=CC=CC=C12)C(=O)NC3=CC=C(C=C3)OC)(C)C 1 3.962 2 2 -2.78961285187863 744392 CCOC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31 1 4.013 1 2 2.39821907736745 744384 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC=C(C=C3)Cl 1 3.9 2 1 -7.84397055158134 744370 CCOC(=O)/C=C(\C)/SC1=CC(=O)OC2=CC=CC=C21 1 2.864 0 4 -2.88275282636949 744368 CN(C)CCN1CCC2=CC=CC=C21 1 2.205 2 0 -8.95643099680731 744355 CC(=O)NC(CC1=CC=CC=C1)CC2=CC=CC=C2 1 3.211 1 1 -3.55155125101858 744343 C1CCC(C1)(C2=CC=CC=C2)C(=O)NC3=CN=CC=C3 1 2.919 2 1 -8.17443237351542 744338 CCC(=O)/C=C\1/N(C2=CC=CC=C2S1)CC 1 3.708 1 1 6.64849512002087 744337 CCC(=O)/C=C/1\N(C2=CC=CC=C2S1)CC 1 3.708 1 1 6.64849512002087 744311 CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)CSC3=CC=CC=C3 1 4.552 1 1 3.10964186633635 744304 COC1=CC2=C(C=C1)NC3=C2NC=NC3=S 1 2.218 3 1 -1.11738802570311 744296 CCOC1=NC=NC2=C1NC3=CC=CC=C32 1 2.844 3 1 4.0591082039033e-002 744291 C1=CC=C(C(=C1)C#N)NC(=O)NC2=CC(=CC=C2)Cl 1 3.066 3 1 -3.18978288435994 744285 C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.629 2 4 -7.51744292160342 744275 CC1=CC=C(C=C1)N2C=NC3=C(C2=O)SC4=NC=CC(=C34)N(C)C 1 3.383 4 1 -9.42901023092667 744269 CC1=CC(=NO1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C(C)(C)C 1 1.717 3 4 0 -20.1942135715184 744264 CN1C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4N3CCO 1 3.593 4 1 -3.43248743664043 744261 C1CCN(CC1)C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)F 1 1.893 5 1 0 -5.29534024316305 744236 CN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)N(C)C 1 3.638 3 0 2.65317584247149 744227 CC1=NC2=CC3=CC=CC=C3C=C2N1C 1 2.72 2 0 4.36066414102657 744222 COC1=CC=C(C=C1)C(=O)/C=C/2\C3=CC=CC=C3NC2=O 1 2.6 1 3 -1.42028238419337 744221 CC1=CC=C(O1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4 1 3.45 3 2 -9.06731147594954 744220 C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=CC=N4 1 3.188 4 1 -7.49813117294991 744209 CC1=CC=C(C=C1)NC(=O)C2(CCOCC2)C3=CC=CC=C3 1 3.242 1 2 -10.3653702858947 744208 CC1=CC(=CC=C1)NC(=O)C2(CCOCC2)C3=CC=CC=C3 1 3.242 1 2 -8.57511895909039 744195 COC(=O)C1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3N2O 1 1.851 3 4 0 -8.47540987918406 744193 C1=CC=C2C(=C1)NC(=O)N(N2O)C3=CC=C(C=C3)Cl 1 2.66 3 2 -2.6610081816189 744130 CC(C)(C)OC(=O)NN=CC1=CC=C(C=C1)OC(=O)C2=CC=CS2 1 3.978 2 4 -13.715759718415 744115 C1CCC2=C(CC1)N=C3C(=C2N)C4=C(S3)CCCC4 1 4.353 2 0 -5.27130157464029 744114 CC(C)(C)OC(=O)NN=CC1=CN=CC=C1 1 1.442 3 2 0 -7.31257590185859 744106 CC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)OC 1 4.19 3 2 -10.3746735086565 744101 CC1=CC2=C(C=C1)N=C(C(=C2Cl)CCC(=O)C)C 1 3.67 1 1 -3.22371206373308 744092 CCOC(=O)C1=CC2=C(C=C1)N=C(C(=C2Cl)CC=C)C 1 4.175 1 2 -6.31747255061139 744090 CNC1=C(C=C(C=C1)OC(F)F)C(=O)C2=CC=CC=C2 1 3.848 1 2 -5.92521329542283 744068 C1=CC(=CC=C1CSCC2=NN=C(S2)N)Cl 1 2.547 3 0 -1.93940856235948 744063 C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=NC=C4 1 2.759 4 1 -8.95460669727585 744062 CC1=NC2=C(C(=NN2C(=C1)C3=CC=CC=C3)C)C4=CC=C(C=C4)OC 1 4.117 3 1 -0.133127757696284 744061 CCOC(=O)C1=C(N2C(=C(C=N2)C#N)N=C1C)C 1 0.751 4 2 0 -10.6255566104001 744056 CC1=C(C=CO1)C(=O)NC2=C(SC=C2)C(=O)OC 1 1.672 1 4 0 -7.61412897882022 744054 CC(C)C(=O)NC1=NN=C(S1)C2=CC=CO2 1 1.874 3 2 0 -8.25533026618952 744048 CCC1=NN=C(S1)NC(=O)CC2=CC=C(C=C2)OC 1 2.034 3 2 -13.1947993332298 744045 CC(C)C(=O)NC1=NN=C(S1)SC2=CC=C(C=C2)N(C)C 1 3.376 4 1 -12.7295725366117 744039 CN(C)S(=O)(=O)N1CCC2=CC=CC=C21 1 0.612 2 2 0 -13.5217351412284 744038 CC1=CC(=NC2=C(C=NN12)C(=O)O)C 1 0.298 3 2 0 -11.513793820839 744029 CC1=CC(=C(C=C1)NC2=C(C(=CC(=N2)C)COC)C#N)C 1 3.706 3 1 -4.72969924699583 744025 CCN(CC)C(=O)CSC1=C(C(=CC(=N1)C)C)C#N 1 2.371 3 1 -19.0726265985585 744022 CC1=C(C=C(C=C1)NC2=C(C(=CC(=N2)C)COC)C#N)C 1 3.706 3 1 -3.73127792443408 744014 CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)[N+](=O)[O-])CCC(=O)C 1 3.178 1 5 -1.49998996520732 744011 COC1=C(C=C(C=C1)Cl)C(=O)NCCN2CCOCC2 1 1.512 2 3 0 -8.41040723807763 743997 CC(=O)NC1=NN(C2(S1)CCCC2)C(=O)C 1 0.847 3 2 0 -8.5822868808778 743993 CC1=C(SC(=C1C#N)N)C(=O)N2CCC(CC2)C(=O)N 1 0.414 4 2 0 -6.72944844288711 743984 CC1=CC(=C(C(=C1)C)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C 1 3.934 2 5 0 -9.63222291819041 743969 CCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CS3 1 3.241 3 1 -7.15764581232188 743964 COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 1 4.81 3 1 3.64899316953105 743957 COC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)N)[N+](=O)[O-])OC 1 1.478 3 6 0 -13.334619781582 743909 C1=CC=C(C=C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)N 1 3.506 2 1 -2.46417076802177 743942 COC1=CC=C(C=C1)N2C=NC3=CC=CC=C32 1 3.111 2 1 2.4434748565376 743938 C1=CC=C(C(=C1)CC(=O)NCC2=CC=NC=C2)[N+](=O)[O-] 1 1.4 3 3 0 -13.8923818643224 743927 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2 1 1.445 2 3 0 -7.75867600990028 743917 CC1=CC=CC=C1C2C(=C(N(C(=C2C(=O)OC)C)C)C)C(=O)OC 1 2.894 1 4 -10.4038823059626 743902 CCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)N 1 2.306 2 2 -8.56274130956244 743896 C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)CO 1 3.388 2 1 2.52843997480983 743881 C1CC2=NN(N=C2C(=O)C1)C3=CC=CC=C3 1 2.363 3 1 -3.25788250907062 743852 CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)OC 1 2.682 2 2 -8.62287290869773 743829 CCOC(=O)C1=C(N=C2N1C=CC=C2)C 1 1.485 2 2 0 -5.14343192276037 743807 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NC=C(C=C3)Cl 1 3.878 3 2 -7.77432011464089 743805 CC1=CN=C(C=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 3.7 3 2 -10.9786876452359 743804 CC(C)CCNC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 3.878 1 2 -13.7894156358608 743801 CC1=CC2=C(C=C1C)N(C=N2)C(=O)C3=CC=C(C=C3)NC(=O)C 1 3.092 3 2 -6.37279755424031 743799 CC1=CC2=C(C=C1C)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)OC 1 3.658 2 3 -4.65923727231807 743796 COC1=CC=CC=C1CC(=O)NC2=CC(=CC=C2)F 1 2.838 1 2 -5.6161283057806 743794 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCCCC3 1 4.036 2 2 -12.7949715601708 743793 CC1=NC(=CC=C1)NC(=O)CC2=CC=CC=C2OC 1 2.304 2 2 -6.99510088865243 743792 CC1=CC(=NC(=C1C#N)SCC(=O)C(C)(C)C)C 1 3.536 2 1 -14.8641075446573 743791 C1COCCN1CCNC(=O)C2=C(C=CC=C2Cl)Cl 1 2.193 2 2 -9.25387740754279 743788 C1COCCN1C(=O)NCC2=CC=C(C=C2)Cl 1 1.511 2 2 0 -7.23144741976227 743778 CC1=NC(=C(C(=C1)C2=CC=C(C=C2)Cl)C#N)N 1 2.816 3 0 -0.307656289380719 743768 CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC=CS2 1 2.684 1 3 -9.01397787699109 743761 CC(=O)OC1=CC=C(C=C1)C(=O)NN2C=NN=C2 1 0 4 3 0 -8.01492198853834 743751 CC(=O)OC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2 1 2.71 1 3 -9.16746408190114 743731 CC(C)CS(=O)(=O)NC1=C(C=C(C=C1)OC)OC 1 1.9 1 4 0 -9.80989023871314 743729 COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC 1 2.453 1 4 -7.65502028753608 743725 CC1=C(C=CC(=C1)F)NCC2=CN=CC=C2 1 2.763 2 0 -1.39093307082488 743724 COC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2OC 1 2.588 1 3 -10.3469410128604 743722 C1=COC(=C1)C(=O)NC2=CC(=C(C=C2)F)F 1 2.42 1 2 -2.30294780334437 743716 CCOC1=CC=C(C=C1)C(=O)NCC2=CC=CO2 1 2.135 1 3 -10.2629734710246 743706 COC1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2)OC 1 3.056 3 3 -5.53804198972416 743674 C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)NN2C=NN=C2 1 0.792 5 3 0 -5.20478504586798 743667 C1COCCN1CCNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 1.423 3 4 0 -8.75995743010142 743663 C1COCCN1CCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.423 3 4 0 -10.7802382461867 743662 CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)Br 1 4.144 2 0 -0.31341391665891 743641 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCCC3 1 2.915 2 2 -8.64936748201022 743639 C1CC2=CC=CC=C2N(C1)S(=O)(=O)CC3=CC=CC=C3 1 3.061 1 2 -13.6301706547812 743638 CC1=CC(=CC(=C1)NCC2=CC(=C(C=C2C)OC)C)C 1 5.15 1 1 2.29330707156883 743635 C1=CC=C(C=C1)CS(=O)(=O)NCC2=CN=CC=C2 1 1.18 2 2 0 -9.16464745774504 743631 CC1=CC(=NC=C1)NS(=O)(=O)CC2=CC=CC=C2 1 2.199 2 2 -4.35387493995067 743624 COC1=CC(=C(C=C1)OC)NS(=O)(=O)CC2=CC=CC=C2 1 2.291 1 4 -6.91413501764349 743606 COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4 1 3.654 2 3 -3.57507369216833 743603 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4 1 3.611 3 1 -5.10276760182956 743596 CC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.818 3 5 0 -9.0889669062348 743593 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC4=C(C=C3)OCO4 1 3.939 2 3 -2.25217686711763 743590 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC=CO3 1 3.063 2 3 -1.70686650014244 743583 CC1=CC(=CC(=C1)NS(=O)(=O)CC2=CC=CC=C2)C 1 3.296 1 2 -4.31977238315417 743522 C1=CC(=CC(=C1)Br)CC2=NN=C(S2)N 1 2.265 3 0 -2.13800704194662 743519 CC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.73 3 3 -8.6248107008822 743516 CC1=CC(=CC=C1)CSCC2=NN=C(S2)N 1 2.369 3 0 -3.16962857135035 743491 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)OC 1 2.794 1 3 -2.18085471891632 743489 CC1=CC=CC2=C1N=C(C=C2NC3=CC(=C(C=C3)OC)OC)C 1 4.302 2 2 1.64822640707675 743488 COC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC 1 0.431 1 5 0 -10.5868035510608 743485 CC1=CC(=C(C2=C1N=C(C=C2N3CCOCC3)C)N)C 1 2.374 3 1 1.62007573362694 743483 CC1=CC(=C2C(=CC(=NC2=C1C)C)N3CCOCC3)N 1 2.374 3 1 0.513029540134903 743480 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.705 2 4 -3.86228629712941 743472 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.521 2 4 -6.60457691125197 743462 CC(=O)N1CCN(CC1)CC2=CC=C(S2)Br 1 1.428 2 1 0 6.87525752563239e-002 743458 CC1=C(C=C(C=C1)C(=O)NN2C=NN=C2)[N+](=O)[O-] 1 0.613 5 3 0 -9.60229244080937 743438 C1CC2=CC=CC=C2N(C1)C(=O)C3=CN=CC=C3 1 2.2 2 1 -11.3032652819144 743437 CC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C32)[N+](=O)[O-] 1 3.275 2 3 -12.9945450520864 743435 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.452 3 2 -4.40519988654905 743416 CCOC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)C3=CC=CO3 1 2.741 3 3 -8.7270147375076 743404 C1CCC(CC1)CN2CCN(CC2)C3=CC=CC=C3 1 4.138 2 0 4.79206597786603 743396 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=CC=N2 1 1.919 2 2 0 -7.78850892092729 743385 COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)F 1 2.378 1 4 -9.02366085688603 743384 CCN1C2=C(C=C(C=C2)Br)C3=C1C(=NO)CCC3 1 4.306 2 1 3.14546939548591 743379 C1CN(CCN1CCCC2=CC=CC=C2)C3=CC=CC=C3 1 4.31 2 0 5.93855613284714 743374 C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NC5=CC=CC=C5)C#N 1 5.36 4 0 -9.97127029330687 743371 CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCN4CCOCC4)C#N 1 2.875 5 1 -13.4566169643358 743370 CC1CCN(CC1)CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.421 3 1 -11.7768074074369 743362 C1COCCN1CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.461 3 5 0 -9.0384094190624 743359 COC1=C(C2=CC=CC=C2C=C1)CN3CCSCC3 1 3.228 1 1 5.18368647892992 743357 CC1=NC=CN1C2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N 1 3.741 5 0 -8.456574630634 743355 C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NCC5=CC=CO5)C#N 1 4.384 4 1 -11.7316542524497 743345 C1CC(=S)N(C1)CC(=S)N2CCOCC2 1 1.635 2 1 0 -8.93012391234198 743331 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CN=CC=C2 1 1.174 2 5 0 -14.0765578707823 743310 CC1=C(C=C(C=C1)C(=O)NCCN2CCOCC2)[N+](=O)[O-] 1 1.245 3 4 0 -12.9320654444448 743298 C1COCCN1CCNC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 0.758 3 4 0 -13.5773227514404 743276 C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)C3=CC=CC=C3 1 3.792 2 1 -7.5487783581268 743213 CC1=CC(=NC(=O)N1)SCC2=CC=CC=C2 1 2.551 2 1 -10.1407946808538 743199 CC(=O)N1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3F 1 1.525 3 1 0 1.83333549376945 743193 CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)O 1 -0.441 2 4 0 -10.8341853533865 743190 CC1=CC(=CC=C1)NC(=O)C2=NC=CN=C2 1 1.228 3 1 0 -5.49997103005532 743178 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=C(C=C3)Cl 1 2.533 3 2 -8.51043025210529 743176 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC(=CC(=C3)OC)OC 1 1.835 3 4 0 -13.1153893958076 743159 CC(C)COC1=C(C=CC(=C1)NC(=O)C2=CN=CC=C2)OC 1 2.623 2 3 -15.5372940373351 743143 C1=C(C=NC=C1Br)C(=O)NCCC(=O)O 1 0.365 2 3 0 -10.9633654208448 743142 CN(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)OC 1 3.2 3 2 0.593150964054985 743130 CC1(CC2=NC(=NC=C2C(=O)C1)NC(=O)C3CCCC3)C 1 2.349 3 2 -11.1540766259558 743128 CC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)C)C=C1 1 2.454 2 2 -7.13389709212065 743125 CCC1=NN(C(=C1C2=CC(=C(C=C2)OC)OC)N)C3=CC=CC=C3 1 3.869 3 2 -3.90789467837896 743110 COC1=CC=CC(=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2 1 1.988 1 5 0 -11.9290117733186 743098 C1CN(CCN1CC2=C(C=CC=C2F)F)C3=CC=CC=C3F 1 4.149 2 0 3.70339713778214 743084 COC1=CC=CC(=C1)N2CCN(CC2)C3C4CC5CC(C4)CC3C5 1 4.19 2 1 12.4716566792742 743083 CN1C2=C(NC1=S)N(C(=O)N(C2=O)CC3=CC=CC=C3Cl)C 1 2.72 4 2 -6.27476229843011 743082 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC4=NSN=C43 1 2.51 3 3 -6.8607288218863 743073 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=O)C4=CN=CC=C4 1 2.446 4 2 -1.51588805900761 743063 CC1=NC2=NC=NN2C(=C1)NCC3=CC=CC=C3 1 2.454 5 0 -10.3648150103218 743057 CC1=NC2=NC=NN2C(=C1)NC3=CC(=C(C=C3)OC)Cl 1 3.26 5 1 -9.56167796306972 743049 CC1=NC2=NC=NN2C(=C1)NC3=CC=C(C=C3)C(=O)C 1 2.352 5 1 -14.013125288281 743045 CC1=NC2=NC=NN2C(=C1)NC3=CC=CC(=C3)C(=O)O 1 2.242 5 2 0 -11.9512618315749 743031 CC1=NN=C(S1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3 1 1.949 6 1 0 -12.7576061892909 743027 CC1=C(C=C(C=C1)S(=O)(=O)NC2CCCC2)C(=O)N 1 1.631 2 3 0 -11.4167387566661 743020 C1CCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.509 2 4 0 -20.9713146106765 743019 C1COCCN1C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 -0.264 2 5 0 -20.9556310624585 743014 C1CN(C2=CC=CC=C21)C(=O)CCCC(=O)N3CCC4=CC=CC=C43 1 2.967 2 2 -12.6534293096648 743008 C1CCCN(CC1)CC2=CC(=C(C=C2)O)[N+](=O)[O-] 1 2.929 2 3 6.12625418747452 743004 CCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=CC=C3 1 2.214 4 2 -3.4567073213687 743000 COC(=O)NN=CC1=CC=CC=C1OCC2=CC=CC=C2 1 3.229 2 3 -5.3539802112663 742991 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCC4=CC=CO4 1 3.063 1 3 -11.1353203304863 742988 CC1=CC(=C(C=C1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C 1 4.846 1 2 -6.43961256387312 742987 CC1=CC=CC=C1NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 4.36 1 2 -6.41037723989875 742984 CCC1=CC=CC=C1NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 4.816 1 2 -5.96598613743032 742979 CCCN(CCC)C(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 4.248 1 2 -7.92923967107566 742977 CC(=NNC(=O)CNC1=CC=CC=C1OC)C2=CC=CS2 1 2.261 3 2 -12.8704950495879 742940 CCC1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)F 1 4.721 2 0 3.99415659905501 742951 CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N(C)C 1 2.101 3 3 -15.0058947605754 742948 CCNC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C 1 -0.692 5 3 0 -24.814374333085 742946 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC=CS3 1 -0.467 6 3 0 -21.7191218260137 742945 CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N 1 1.689 3 3 0 -13.81006763262 742920 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)COC3=CC=CC=C3 1 1.704 3 3 0 -10.1639574882215 742917 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3CCCCC3 1 2.33 3 2 -7.05577323103002 742907 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=C(C=C3)OC 1 1.852 3 3 0 -10.7453951518363 742904 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC(=CC=C3)Cl 1 2.533 3 2 -7.95690972507223 742896 C1OC2=C(O1)C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.416 2 5 0 -14.1730145678301 742886 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2C=NC3=CC=CC=C32 1 2.67 2 4 -7.06535356096292 742884 CC(=O)N(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 1.627 2 4 0 -6.02055922251813 742882 CC1=NC=CN1S(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 1.302 2 4 0 -5.22080758151344 742879 C1=CC=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 1.542 3 5 0 -16.255672970228 742878 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.542 3 5 0 -15.3060410856999 742856 C1=CC(=CC(=C1)Cl)NCC(=O)C2=CC=C(C=C2)Cl 1 4.223 1 1 -0.176876496838624 742837 CCCN1CCC(CC1)NC2=CC(=CC(=C2)OC)OC 1 2.589 2 2 -2.22658786460548 742836 CCOC(=O)C1=C(N=C(S1)NS(=O)(=O)C2=CC=C(C=C2)C)C 1 2.579 2 4 -9.60366360162602 742833 CCNC1=NC(=NC(=N1)OC2=CC=C(C=C2)C(=O)OC)NCC 1 2.294 5 3 0 -6.89329664916271 742830 CC(C)NC1=NC(=NC(=N1)OC2=CC=C(C=C2)C(=O)OC)NC(C)C 1 3.049 5 3 0 -9.9068371421233 742828 CC1=CC(=NC(=N1)N(CC=C)S(=O)(=O)C2=CC=CC=C2)OC 1 2.688 3 3 -14.903849480703 742826 CC(=O)NC1=CC=C(C=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 1.971 2 4 0 -8.50416114453211 742825 CC1=C(C(=O)N(C(=N1)SC)C)OC2=CC=CC=C2 1 2.438 2 2 -3.99593750495752 742822 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2Cl)OC 1 2.529 3 3 -11.1836606013182 742820 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.555 2 5 0 -10.9846394416188 742815 CC1=C(C(=NC(=N1)NC(=O)C)OC)Br 1 1.246 3 2 0 -5.14003624936382 742814 CC1=CC(=NC(=N1)N)N2C(=CC(=N2)C)C 1 1.301 5 0 0 -4.32352194864988 742810 CC1=CC(=NC(=N1)NC(=O)C)SC 1 1.056 3 1 0 -5.2228630491372 742805 CNC(=S)NCCC1=CNC2=C1C=C(C=C2)OC 1 2.839 3 1 -10.826352079319 742776 CC1=CC2=C(C=C1C)N(C=N2)S(=O)(=O)N(C)C 1 1.689 3 2 0 -3.64379874287909 742769 CN(C)S(=O)(=O)N1CCC2=CC=CC=C2C1 1 0.619 2 2 0 -16.6271074885716 742765 COC1=CC=C(C=C1)NCC2=CN=CC=C2 1 2.055 2 1 -3.27041053143014 742763 C1CCN(CC1)CCOC2=CC=CC=C2Cl 1 3.533 1 1 2.82617635721902 742755 CC1=CC=C(C=C1)NCC2=CN=CC=C2 1 2.557 2 0 -2.857444322286 742754 CCCC(=O)N1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32 1 1.165 3 3 0 -10.878565251167 742752 C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(=O)C3=CC=CS3 1 3.239 2 2 -12.6866754557372 742750 CC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 3.772 2 2 -8.37420836986744 742749 CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 1 3.2 2 1 -15.8438118916424 742747 COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2F)Cl 1 3.468 1 2 -6.31729963982171 742745 CCN1C(=O)C2=C(N=C1SCC(=O)N)SC3=C2CCCC3 1 2.609 3 2 -26.041407840579 742744 CC1=C(C=C(C=C1)NC(=O)NC2CCCCC2)Cl 1 3.955 2 1 -6.07750770054539 742737 CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)OC 1 2.467 2 3 -10.270844680955 742703 C1=CC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)Cl)Cl 1 3.851 2 1 -1.5648651542273 742677 C1CCC(CC1)NC(=O)NCCC2=CC=CC=C2 1 3.132 2 1 -10.680470214149 742667 CCCN1C(=O)C(=O)C(=CN1)SC 1 -8.3e-002 2 2 0 -2.42057034023029 742653 C1CCN(CC1)C(=O)COC2=CC=C(C=C2)Cl 1 2.66 1 2 -4.44227973789004 742647 CCC1=CC=C(C=C1)N2C(=CN=C2NC3=NC(=CC(=N3)C)C)O 1 3.086 5 1 -0.880238535604395 742643 CC1=C(C=C(C=C1)N2C(=CN=C2NC3=NC(=CC(=N3)C)C)O)Cl 1 3.294 5 1 -1.64743914294207 742640 CC1=CC(=NC(=N1)NC2=NC=C(N2C3=C(C=CC(=C3)OC)OC)O)C 1 2.111 5 3 0 -3.36566931739879 742639 CC1=CC(=NC(=N1)NC2=NCC(=O)N2C3=CC(=C(C=C3)OC)OC)C 1 1.734 5 3 0 -7.88988334217078 742636 CC1=C(C=C(C=C1)N2C(=CN=C2NC3=NC(=CC(=N3)C)C)O)C 1 3.116 5 1 -7.72538717569313e-002 742626 COC1=C(C=C(C=C1)Cl)NC(=O)NC2CCCCC2 1 3.452 2 2 -8.01779176733389 742609 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)OC(=O)C 1 1.521 2 4 0 -15.0904351962385 742608 C1=CC=C(C=C1)CC(=O)NC2=CNC(=O)NC2=O 1 -0.488 3 3 0 -14.5227343479813 742594 C1CN(CCN1CCCC2=CC=CC=C2)CC3=CC=CC=C3Cl 1 4.886 2 0 5.1465932142596 742551 CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3 1 1.483 4 2 0 -7.79516456891847 742550 CCN1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.073 3 0 8.48270809212197 742549 COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.014 1 5 -1.88401189820509 742546 CCN(CC)CCN(C)C1CCC(CC1)C2=CC=CC=C2 1 4.298 2 0 0.987543955767198 742529 CC(C)CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)F 1 2.7 2 1 -3.17934084386966 742528 CC(C)CC(=O)N1CCN(CC1)CC2=CC=CC=C2Br 1 3.243 2 1 -6.04490604862293 742527 CC(C)CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)SC 1 3.037 2 1 -2.41700297413488 742523 CC(C)CC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)OC)OC 1 2.462 2 3 -9.46212396340122 742522 CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CC(C)C 1 2.981 2 1 -4.62211991460469 742521 CC(C)CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)Cl 1 3.159 2 1 -2.80012122401787 742520 CC(C)CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)Cl 1 3.159 2 1 -2.6244987203682 742519 CC(C)CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)OC 1 2.479 2 2 -5.03508612374883 742516 COC1=CC=CC(=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)F 1 2.973 2 2 -0.147214260102465 742502 COC1=CC=CC=C1CN2CCN(CC2)C(=O)CC3=CC=CC=C3 1 2.803 2 2 -7.62875310667719 742500 CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3 1 2.4 2 3 -11.3268107641678 742494 CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.841 2 4 0 -5.91086358157155 742493 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=NC=C3 1 0.974 3 2 0 -4.81275379380143 742487 CSC1=NN=C(O1)C2=C(C=C(C=C2)Cl)Cl 1 3.541 2 1 0.101756779553647 742486 CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C)C 1 1.947 3 3 0 -16.5766103117138 742485 CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)N)C 1 2.08 3 2 -8.82022603383257 742475 C1CCC(=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Cl)C1 1 5.083 2 0 0.279283711066916 742471 COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)OC 1 3.56 1 4 -4.19204718092614 742463 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC 1 2.862 1 3 -8.57956149387029 742456 CC1=C(N=CC=C1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C 1 1.313 5 3 0 -7.98939208196555 742447 CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)C2=CC=CC=C2)C 1 3.982 1 2 -3.70100163174944 742446 CC12CN3CC(C1=O)(CN(C2)C3C4=CN(C5=CC=CC=C54)C)C 1 2.799 3 1 -4.92727242437122 742428 CCOC(=O)CON1C2=CC=CC=C2N(C(=O)C1=O)O 1 0.171 2 6 0 -8.88937134512915 742427 CCCC(=O)NC1=C(C2=C(S1)COC(C2)(C)C)C(=O)OCC 1 2.603 1 4 -26.6000599879774 742418 CC1=CC=CC=C1OC2=NC3=CC=CC=C3N4C2=NN=C4 1 3.825 4 1 3.23922388957246 742416 C1=COC(=C1)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.758 3 5 0 -8.6001099642188 742415 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2OC(=O)C4=CC=CO4 1 3.389 2 4 -0.649438776295753 742414 CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C)CN3CCOCC3 1 1.944 1 6 0 -5.6515962915655 742390 CC1=C(C(C(=C(N1C)C)C(=O)OC)C2=CC=NC=C2)C(=O)OC 1 1.257 2 4 0 -9.75946957795537 742385 CC1(C(=C(OC2=C1C(=O)CCC2)N)C#N)C 1 1.026 2 2 0 -10.4838964065818 742381 CC1(CC2=C(C(N1)(C)C)SC(=C2C#N)N=CN3CCCCC3)C 1 2.989 4 0 -14.315304294931 742380 CC1(CC2=C(C(N1)(C)C)SC(=C2C#N)N=CN3CCCCCC3)C 1 3.445 4 0 -14.315304294931 742378 CC1(CC2=C(C(N1)(C)C)SC(=C2C#N)N=CN3CCOCC3)C 1 1.759 4 1 0 -15.9954026404224 742376 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)C 1 -0.177 5 3 0 -11.6863508396994 742369 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCCC3=CC=CC=C3 1 3.377 3 2 -9.89012923831663 742356 CC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3O2 1 3.561 2 2 -5.0764906466004 742355 CC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3O2 1 3.561 2 2 -9.59984774640944 742352 C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.263 2 3 -10.4577769800597 742351 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CC1=C(C(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C)C)N)C 1 3.811 3 1 -3.92659007605661 741619 CC1=CC(=NC(=N1)SCC(=O)NN=C(C)C2=CC=CS2)C 1 2.318 4 1 -15.2983163561225 741615 CSC1=NC2=C(O1)C=CC3=CC=CC=C32 1 3.347 1 1 3.50286764328346 741604 CC1=NC2=NC=NN2C(=C1)NC3=CC=C(C=C3)N(C)C 1 2.774 6 0 -11.641052831577 741601 CC1=NC2=NC=NN2C(=C1)NC3=CC=C(C=C3)Cl 1 3.276 5 0 -7.15776776237757 741600 CC1=CC(=C(C=C1)C)NC2=CC(=NC3=NC=NN23)C 1 3.584 5 0 -9.68597094216891 741599 CC1=CC(=C(C=C1)NC2=CC(=NC3=NC=NN23)C)C 1 3.584 5 0 -9.95623653721624 741597 CC1=CC=C(C=C1)NC2=CC(=NC3=NC=NN23)C 1 3.098 5 0 -9.16806304729819 741522 CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC(=C(C=C3)OC)OC 1 3.594 1 4 -7.69520512052727 741524 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=CC(=CC=C3)O 1 1.256 2 4 0 -4.41937698143638 741510 CC(=O)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 1 2.908 1 4 -8.16090483626002 741509 CC(C)(C)C(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)O2 1 3.807 2 3 -15.1696087417171 741506 C1=CC=C2C(=C1)N=C(O2)SC3=C(C=CC(=C3)Cl)[N+](=O)[O-] 1 4.574 2 3 1.85691897418341 741502 C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2CO 1 2.772 2 2 0.86299926556449 741501 C1=CC=C2C(=C1)N=C(N2CCO)C(F)(F)F 1 2.361 2 1 0.393692692354056 741500 C1CCC(CC1)N2C(=NN=N2)SCC(=O)O 1 1.563 4 2 0 -27.3887347629695 741483 COC1=CC=CC=C1NC(=O)C2(CCCC2)C3=CC=CC=C3 1 4.053 1 2 -10.6571761345772 741474 CCOC1=CC=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2 1 1.506 2 3 0 -5.46996727103365 741472 CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CN=CC=C2)OC 1 1.643 2 3 0 -3.89580803536827 741470 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=N2)OC 1 2.176 2 3 -2.01964700031568 741468 CCOC1=CC=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 2.425 1 5 -4.64233180784946 741466 CCOC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2 1 1.838 1 4 0 -6.32882033150864 741456 CC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CN=CC=C2 1 2.401 2 2 -3.07631064238309 741450 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CC=CC=C2 1 2.291 1 4 -4.80007974508604 741447 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NC3=NC=CC(=C3)C 1 3.433 2 3 -5.90602133484129 741440 CC(=O)NC1=CC(=C(C=C1)Cl)C2=NC3=C(O2)C=CC=N3 1 2.11 3 2 1.21789713290351 741434 COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NCC3=CN=CC=C3 1 2.066 2 3 -6.00707551169001 741420 C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.942 4 3 0 -11.6287049927058 741419 CN1C(=S)C=CC2=CC=CC=C21 1 2.977 1 0 1.8650149956759 741416 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC=C(S2)Cl 1 2.691 2 3 -5.74353360195559 741385 C1CCC2=NN=C(N2CC1)C3=CC=NC=C3 1 1.602 4 0 0 -3.3687685601342 741378 COC(=O)SC1=NN=C(O1)C2=CC=C(C=C2)Br 1 3.388 2 3 -1.56892564735761 741374 CCOC(=O)N1CCN(CC1)C(=S)NC2CCCCC2 1 3.26 3 2 -12.0403158024268 741366 CC1=C(CC(=O)N1CC2=CN=CC=C2)C(=O)OC 1 0.211 2 3 0 -9.35439556944918 741359 CC1=CC(=O)N=C(N1)SCC2=CC=CC3=CC=CC=C32 1 3.46 2 1 -12.3999939140038 741355 CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])C 1 2.278 5 3 0 -14.1865828892063 741353 C1COCCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 1.419 2 4 0 -9.68160063394938 741351 COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2 1 2.308 1 3 -2.99566962369592 741349 CCC1=NC(=NN1)SCC2=CC=C(O2)C(=O)OC 1 2.492 3 3 -8.80086677681101 741348 CC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)OC 1 0.958 4 3 0 -14.3382026500369 741345 CC1=NC(=NN1)SCC2=CC=C(O2)C(=O)OC 1 1.825 3 3 0 -8.54779328519486 741344 CCOC(=O)C1=CC=C(O1)CSC2=NN=C(N2N)C 1 1.307 4 3 0 -13.928137577683 741342 CCOC(=O)C1=CC=C(O1)CSC2=NN=CN2N 1 1.046 4 3 0 -11.9520805419441 741337 COC1=C(C=C(C=C1)CN2C=CN=C2)[N+](=O)[O-] 1 1.384 3 3 0 -2.97090539557687 741332 CCC1=NC(=NN1)SCC2=CC=C(C=C2)OC 1 3.147 3 1 -4.92892364213266 741325 CC1=NC(=NN1)SCC2=CC(=C(C=C2)OC)Br 1 3.229 3 1 -5.71612382834275 741311 C1=C(C=C(C(=O)C(=C1CO)O)CO)CO 1 -1.192 0 5 0 -1.18480743691273 741308 CC(=NNC(=O)CSC1=NC2=CC=CC=C2S1)C3=CN=CC=C3 1 2.532 4 1 -11.2876621159727 741303 CC1=CC=CC=C1NC(=O)C2=C(N=CN2)C(=O)NN 1 0.218 5 2 0 -9.68081696871447 741297 C1COCCN1C2=NC3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl 1 3.75 3 1 9.98748882864434 741282 CCOC(=O)C1=C(C(=C2N1CCCCC2)C#N)N 1 2.07 3 2 -9.13364413150263 741280 C1CC2=C(C(=C(N2C1)C(=O)C3=CC=CC=C3)N)C#N 1 2.358 3 1 -7.43410374769393 741278 CCOC(=O)C1=C(C(=C2N1CCCC2)C#N)N 1 1.614 3 2 0 -8.77917561733455 741274 COC(=O)CN1C=NC2=C(C1=O)N3CCCCC3=C2C#N 1 0.99 4 3 0 -14.2398431202486 741272 C1CCN2C(=C(C3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)Cl)C#N)C1 1 3.531 4 1 -6.10774835162731 741270 CN1CCCC2=C1NC(=O)C(=C2)C#N 1 0.754 3 1 0 -9.90379605928652 741269 C1=COC(=C1)CNC2=C(N=C(O2)C3=CC=C(C=C3)Cl)C#N 1 3.322 3 2 1.25030987229018 741253 CN1C(=C(C=N1)Cl)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl 1 3.51 4 1 6.86335112445858e-002 741252 CN1C=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)Cl 1 3.647 4 1 0.326693162149214 741250 CN1C=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl 1 2.877 5 3 0 -3.46084908869773 741249 CC1(CC(=O)C(=CNC2=CC=NC=C2)C(=O)C1)C 1 0.873 2 2 0 -9.48077576931471 741247 CC1=CC2=C(C=C1N)N=C(S2)NC(=O)C3=CC=C(C=C3)C(=O)OC 1 2.835 3 3 -5.67674591317087 741243 C1CC(=O)N(C1)CCNC(=O)NC2=CC=CC=C2 1 0.599 3 2 0 -18.4241957712927 741237 C1CCN(CC1)/C=C\2/C(=O)CNC2=O 1 -0.178 2 2 0 -5.14158513892058 741234 C1C(=O)/C(=C\C2=CC=C(C=C2)Br)/C(=O)N1 1 1.63 1 2 0 -3.91281982151607 741231 COC1=C(C=CC(=C1)/C=C\2/C(=O)CNC2=O)O 1 0.624 1 4 0 -2.99379998912132 741225 C1C(=O)/C(=C/C2=CC=C(C=C2)O)/C(=O)N1 1 0.64 1 3 0 -2.3982846558623 741224 C1C(=O)/C(=C\C2=CC=C(C=C2)O)/C(=O)N1 1 0.64 1 3 0 -2.3982846558623 741223 C1C2CC3CC1CC(C2)(C3)N/C=C/4\C(=O)CNC4=O 1 0.512 2 2 0 -4.145213600416 741192 C1CC2=C(C(=O)C1)SC3=CC=CC=C3N2 1 2.238 1 1 -9.38953127490336 741186 CC1(CC2=C(C(=O)C1)SC3=C(N2)C=C(C=C3)Cl)C 1 3.36 1 1 -9.80116307859086 741178 CC1=CC(=NC(=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C)C 1 3.982 3 2 -8.87983940554278 741176 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC#N 1 2.792 3 1 -13.0752874201174 741175 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CN=CC=C3 1 2.387 3 1 -1.89243414548869 741168 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)Cl)OC 1 3.809 2 3 -8.54806591412874 741152 CC1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4 1 3.962 2 3 -1.914899437326 741143 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 3.541 3 4 0 -12.0753163275402 741138 CC1=C(C(=CC=C1)C)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 4.133 2 2 -9.68745482719703 741133 C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4 1 3.366 4 1 4.10550051291265 741114 C1CN(C2=CC=CC=C21)C(=O)CCC(=O)N3CCC4=CC=CC=C43 1 2.511 2 2 -11.5699286266332 741103 CCC(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C 1 3.149 0 4 -7.31019603259412 741095 COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)N)Cl 1 3.073 4 1 1.30455857375571 741085 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=NC=NN2 1 0.411 4 3 0 -8.71733910742142 741078 CC1=CC(=C(C=C1)C)NC(=O)C2=NC=NN2 1 1.753 4 1 0 -6.9848485303996 741076 CC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C 1 2.711 1 2 -7.09645136383457 741074 COC1=CC=CC(=C1)NC(=O)C2=NC=NN2 1 0.764 4 2 0 -5.35277745593844 741059 C1=CC(=CC=C1CC2=NN=C(S2)N)F 1 1.722 3 0 0 -0.825265974489709 741058 C1=CC=C(C(=C1)CC2=NN=C(S2)N)F 1 1.722 3 0 0 -2.46686290883587 741056 C=CCC1=CC=CC=C1OC2=CC(=NC(=N2)N)F 1 3.519 3 1 -4.72647346329229 741053 CC(C)(C)C1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)Cl 1 3.468 4 1 -4.14031726869554 741043 COC1=CC=CC=C1C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)F 1 3.202 3 2 -7.80287800393212 741035 C1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)F 1 3.71 3 1 -10.7774014264058 741029 C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)F 1 3.219 3 1 -6.51108806370359 740955 CC(=C)CN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2 1 2.953 3 2 -14.7332302490306 740954 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C 1 3.548 2 2 -9.06078106349574 740953 CC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.548 2 2 -11.7625388126537 740952 CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 3.062 2 2 -11.0006361902506 740948 CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2C=CN=C2C 1 1.715 3 4 0 -5.70547560832612 740946 CC(C)CSC1=NC2=CC=CC=C2N1 1 3.62 2 0 -2.83436183334319 740942 CN(C)C1=NC(=NC(=N1)N)C2=CN=CC=C2 1 0.252 6 0 0 -9.6229394918269e-002 740916 COC1=CC=CC=C1OC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.129 1 5 -8.82290753314519 740914 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OC3=CC=C(C=C3)F 1 2.351 1 4 -5.56164922252927 740911 CC(=O)N1C(OC(=N1)C2=CC=C(C=C2)Cl)(C)C 1 1.903 2 2 0 -3.33494766550742 740910 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CN=CC=C2 1 1.278 3 3 0 -17.7500951681296 740901 CCOC(=O)C1CCN(CC1)C(=O)COC2=C(C=C(C=C2)Cl)C 1 2.906 1 4 -5.53350185202184 740896 CC1=CC(=NC(=C1C#N)N(C2=CC(=CC=C2)Cl)C(=O)C)C 1 3.433 3 1 -4.89994162278669 740895 CCOC1=CC=C(C=C1)N(C2=C(C(=CC(=N2)C)C)C#N)C(=O)C 1 3.101 3 2 -7.5777202319819 740893 CC1=CC(=NC(=C1C#N)N(C2=CC=C(C=C2)Cl)C(=O)C)C 1 3.433 3 1 -4.57653218054291 740892 COC1=CC=C(C=C1)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3 1 3.72 1 3 -2.82043196060557 740890 CC1=CC(=NC(=C1C#N)N(C2=CC=CC=C2)C(=O)C)C 1 2.769 3 1 -6.90073095947752 740886 CC1=CC(=C(C=C1)OCC(=O)NCC2=CC=CC=N2)Br 1 2.756 2 2 -10.1524774083917 740883 C1CN(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3 1 2.93 1 1 -11.1791634776489 740880 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC=CC=C2OC)C 1 1.761 2 2 0 -13.6610475144006 740878 CC1(CC(CC(N1)(C)C)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C 1 3.106 2 1 -7.79427757873078 740876 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)F 1 2.588 1 3 -6.31651374660328 740872 CC1(CC2=C(CO1)SC3=C2C(=O)NC=N3)C 1 1.076 2 2 0 -18.3206769488054 740868 CC1(CC2=CC=CC=C2C3=C1C(=O)OC(=N3)C4=CC=CC=C4)C 1 4.331 1 2 -5.84293698682858 740863 CC1=C(CC(=O)N1CCC2=CC(=C(C=C2)OC)OC)C(=O)OC 1 1.65 1 5 0 -12.4836757523085 740861 CC1=C(CC(=O)N1CCC2=CC=C(C=C2)OC)C(=O)OC 1 1.666 1 4 0 -8.48556102393948 740860 CC1=C(CC(=O)N1C2=CC(=C(C=C2)Cl)Cl)C(=O)OC 1 2.683 1 3 -7.0197987862729 740856 CC1=CN2C(=NC(=C(C2=O)Cl)C)C=C1 1 1.09 2 1 0 -8.91177239453932 740852 COC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)N 1 1.689 2 4 0 -10.0076737759947 740850 COC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)O 1 2.316 1 5 -12.9687537261571 740841 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC)C 1 1.906 1 4 0 -9.85464638697068 740823 C1CCC(CC1)N2C(=CC(=O)N2)N 1 0.561 3 1 0 -3.08890765790555 740804 C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C4=CC=CC=C43)C#N 1 3.132 3 1 -13.9235406685733 740793 CC1(CC(=CC(=O)C1)NC2=CC(=CC=C2)F)C 1 2.909 1 1 -10.722382852253 740791 C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl 1 3.796 3 3 -3.55922716996471 740781 CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)N3CCOCC3 1 2.421 3 2 -8.2791883508169 740778 C1COCCN1C(=O)CSC2=NN=CC3=CC=CC=C32 1 1.154 3 2 0 -10.254861351173 740775 COC(=O)NN=CC1=CC=C(O1)C2=CC=CC=C2Cl 1 3.531 2 3 -0.876549687681155 740774 CC1=C(C=C(C=C1)C2=CC=C(O2)C=NNC(=O)OC)Cl 1 4.017 2 3 -2.27330648948835 740773 COC(=O)NN=CC1=CC=C(O1)C2=CC(=CC=C2)Cl 1 3.531 2 3 1.16161535477848 740766 COC1=C(C=CC(=C1)C=NNC(=O)OC)OC(=O)C2=CC=CO2 1 2.473 2 6 0 -11.7894293857433 740754 CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC=N3)OC 1 2.676 1 3 -0.689605906854414 740746 CC1=NN(C(=C1C=NNC(=O)OC)Cl)C2=CC=CC=C2 1 2.63 4 2 -3.46505844918629 740743 CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=CC=N3)OC 1 3.526 1 3 1.31000087443238 740702 CCCS(=O)(=O)N1CCN(CC1)C(=O)COC2=CC=CC=C2 1 0.959 2 4 0 -24.4209086571367 740689 CCOC(=O)C1CCN(CC1)CCC(=O)NC2=CC(=C(C=C2)C)C 1 2.853 2 3 -6.76588806546151 740682 CC1=C(C=C(C=C1)NC(=O)CCN2CCOCC2)C 1 1.864 2 2 0 -6.07107336174342 740669 CC1=CC(=CC(=C1)NC(=O)CCN2CCCC2)C 1 2.638 2 1 -3.53428173787129 740647 C1CN(CCN1CCC(=O)NC2=CC(=CC=C2)F)C3=CC=CC=C3F 1 3.245 3 1 1.82610863695619 740612 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)C(=O)OC 1 2.439 2 5 0 -7.49349222934571 740598 CC(C)CNC1=C(C(=O)CC(C1)(C)C)C(=S)NC2=CC=CC=C2 1 4.157 2 1 -11.9673890773239 740597 COC1=C(C=C(C=C1)C(=O)OC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-] 1 3.326 2 5 0 -13.0427380824142 740589 CCOC(=O)NC1=CC=CC=C1C(=O)N2CCOCC2 1 1.044 2 4 0 -13.1125553571306 740574 C1=CC(=CC=C1C=NO)OC2=NC=C(C=C2)[N+](=O)[O-] 1 2.499 3 4 0 -1.85789944236085e-002 740562 COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2)OC 1 2.613 1 4 -9.54096484878135 740561 C1=CC=C(C=C1)CCN(CC(=O)O)S(=O)(=O)C2=CC=CC=C2 1 2.333 1 4 -13.7448286182974 740560 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)OC 1 2.284 1 4 -6.70490691454061 740558 C1=CC=NC(=C1)N2C=NNC2=S 1 1.323 4 0 0 -3.74494092331459 740481 C1=CC=C(C(=C1)C2=NN=C(O2)C3=CN=CC=C3)Br 1 2.651 3 1 7.17685382971448e-002 740480 C1=CC(=CN=C1)C2=NN=C(O2)C3=CC=C(C=C3)Cl 1 2.567 3 1 4.62296793264623 740478 C1=CC=C(C(=C1)C2=NN=C(O2)C3=CN=CC=C3)Cl 1 2.567 3 1 1.70624685225341 740476 CC1(CC(=CC(=O)C1)NNC(=O)C2=CC(=C(C=C2)OC)OC)C 1 1.578 2 4 0 -20.5641819276785 740469 CCOC1=CC=C(C=C1)N2C(=C(C(=C2C)C(=O)C)C(=O)C)C 1 2.809 1 3 -3.72280644982306 740467 C1=CC(=CN=C1)C2=NC(=CS2)C3=C(C=C(C=C3)O)O 1 2.522 2 2 9.56780774772888 740464 C1=CC(=CN=C1)C2=NC(=CS2)C3=CC(=C(C=C3)O)O 1 2.522 2 2 11.3908501580919 740453 C1CCCN(CC1)C(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 3.574 2 2 -18.8069763076142 740452 C1CCCN(CC1)C(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 3.574 2 2 -18.8069763076142 740440 COC1=C(C=C(C=C1)CC2=NN=C(S2)N)OC 1 1.484 3 2 0 -7.1038783700632 740413 COC(=O)NC1=C(N=C2N1C=CC=C2)C3=CC=CC=C3 1 2.82 3 2 -4.0568551269165 740407 COC1=CC=C(C=C1)C2=NC=C3N2C=CC=C3 1 2.501 2 1 3.8739112035547 740387 CCN(CC)C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC2=O 1 3.068 3 1 -7.71727438086568 740386 CCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCC(=O)O 1 2.72 0 5 -6.62443781216104 740368 COC1=C(C=C(C=C1)N/C=C/C(=O)C2=CC3=C(C=C2)OCO3)OC 1 2.778 1 5 -8.22299507138133 740366 CCOC(=O)C1=CC=C(O1)CSC2=NNC(=N2)C 1 2.174 3 3 -8.13772821284103 740356 CCOC(=O)CC1=C(NC(=S)NC1=O)C 1 0.794 2 3 0 -16.0259068382914 740346 COC(=O)C1=CC=C(C=C1)NC=C2C(=O)CC(CC2=O)C3=CC=CC=C3 1 2.705 1 4 -12.343554759458 740336 CCCC(=O)NC1=C(NN=C1C)C 1 0.945 3 1 0 -9.8187231375089 740322 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4N=C5C=CC=CC5=N4 1 5.684 5 0 8.1021898296822 740304 CC1(CC2=C(CO1)C(=O)N(C(=C2C#N)N)C3=CC=CC=C3)C 1 1.459 3 2 0 -7.95740110689636 740303 CC1(CC(=O)C(=NNC2=CC=C(C=C2)Cl)CO1)C 1 2.549 2 2 -7.39741434371708 740302 CC1(CC2=C(C(=S)NC(=C2CO1)N3CCOCC3)C#N)C 1 1.426 3 2 0 -9.30937326582249 740301 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC(=C(C=C3)OC)OC 1 2.647 3 3 -9.11628224941606 740282 C1=COC(=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=CO3 1 1.819 2 6 0 -7.9250636497172 740271 CN1CCN(CC1)CCCN2C=NC3=C2C4=CC=CC=C4OC3=O 1 1.921 4 2 0 -1.25768191321387 740269 C1COCCN1CCN2C=NC3=C2C4=CC=CC=C4OC3=O 1 1.589 3 3 0 -7.23933460811427 740256 CCSC1=NC2=CC=CC=C2N1CCOC3=CC=CC=C3 1 4.615 2 1 -6.42183952430346 740253 CC(C)SC1=NC2=C(N1)C=C(C=C2)Br 1 3.903 2 0 1.12892934021361 740250 CCN1C(=NC2=C1C=CC(=C2)S(=O)(=O)N)C 1 0.866 3 2 0 -5.81335721415049 740244 CC1=CN=C(C=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 2.35 3 5 0 -11.2369534153361 740225 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)CO 1 3.993 2 2 17.7421654658073 740179 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)CO 1 2.248 3 1 11.3477246062788 740185 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CO 1 4.147 2 1 15.0600845790463 740223 COC1=CC=C(C=C1)C2=NN(C=C2C(=O)OC)C3=CC=CC=C3 1 3.842 2 3 5.40789677617656 740218 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)O 1 3.838 2 2 8.28191688595128 740198 COC1=C(C=C(C=C1)C2=NN(C=C2C=NO)C3=CC=CC=C3)OC 1 3.797 3 3 11.7461145824393 740197 COC1=CC=C(C=C1)C2=NN(C=C2C=NO)C3=CC=CC=C3 1 3.813 3 2 15.3740523060873 740195 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])CO 1 3.293 3 3 11.6374124775729 740191 CC1=CC=C(C=C1)C2=NN(C=C2C=NO)C3=CC=CC=C3 1 4.316 3 1 15.7870185152314 740149 C1CN(CC2=CC=CC=C21)CCC(=O)NC3=CC=CC=C3F 1 3.068 2 1 -7.97397984819205 740109 CCOC(=O)C1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)Cl 1 2.545 2 3 -4.69597456023457 740110 COC1=CC=C(C=C1)NC(=O)CCN2CCCCCC2 1 2.561 2 2 -3.83751854533536 740130 CCOC(=O)C1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)F 1 2.086 2 3 -5.80609622535614 740068 CCOC(=O)C1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)Cl 1 2.545 2 3 -3.76910399411595 740062 C1CN(CCC1C(=O)N)CCC(=O)NC2=CC(=CC=C2)Cl 1 1.343 3 2 0 -0.485581223008752 740042 COC1=CC(=C(C=C1)NC(=O)CCN2CCCC2)OC 1 1.632 2 3 0 -7.6387621262042 740005 CC1=CC=C(C=C1)NC(=O)CCN2CCC(CC2)C(=O)N 1 1.165 3 2 0 -3.2344504797142 739997 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCOCC2 1 0.77 3 5 0 -10.3491933449575 739986 C1CN(CCN1CCC(=O)NC2=CC=CC=C2)C3=CC=CC=C3 1 2.834 3 1 -0.628224887839387 739985 CCOC(=O)C1CCN(CC1)CCC(=O)NC2=CC=CC=C2 1 1.88 2 3 0 -6.67462738919474 739974 CC1=CC(=C(C=C1)C)NC(=O)CCN2CCC3=CC=CC=C3C2 1 3.835 2 1 -8.32935738786105 739973 CCOC(=O)C1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)C)C 1 2.853 2 3 -8.29661493451647 739968 CC1=CC(=C(C=C1)C)NC(=O)CCN2CCCCC2 1 3.094 2 1 -5.2031940198863 739967 CC1=CC(=C(C=C1)C)NC(=O)CCN2CCOCC2 1 1.864 2 2 0 -7.60180023079838 739961 CC1=CC(=CC=C1)NC(=O)CCN2CCC(CC2)C(=O)N 1 1.165 3 2 0 -1.34680492638507 739956 CC1=CC(=CC=C1)NC(=O)CCN2CCOCC2 1 1.378 2 2 0 -3.93551299377417 739952 C1CC2=C(C1)C=C(C=C2)NC(=O)CCN3CCC(CC3)C(=O)N 1 1.735 3 2 0 -6.84861401002439 739950 CC1CCN(CC1)CCC(=O)NC2=CC3=C(CCC3)C=C2 1 3.43 2 1 -9.64630513029523 739944 C1CCCN(CC1)CCC(=O)NC2=CC(=C(C=C2)F)F 1 2.989 2 1 -2.58871314731327 739934 CC1=CC(=NC2=NC(=CN12)CSC3=CC=C(C=C3)Cl)C 1 3.755 3 0 2.90292006430248 739909 CC1=C(C=CC=C1Cl)NC(=O)CCN2CCCCC2 1 3.272 2 1 -2.16861332105764 739907 CC1=C(C=CC=C1Cl)NC(=O)CCN2CCCCCC2 1 3.728 2 1 -2.16861332105764 739905 CC1=C(C=CC(=C1)NC(=O)CCN2CCCCC2)Br 1 3.356 2 1 -3.27643439154649 739886 C1=CC=C(C=C1)CC(=O)NC2=C(OC3=CC=CC=C32)C(=O)N 1 2.246 2 3 -4.49489797380017e-002 739884 C1=CC2=C(C=C1Cl)SC(=C2Cl)C(=O)O 1 3.941 0 2 2.69114435782607 739882 CC(=O)NC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N 1 1.211 2 3 0 4.37622557419729 739872 C1=CC=NC(=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl 1 3.715 3 3 -0.717314170839346 739861 C1CCC(=NCC1)NC2=NC3=C(S2)CCCC3 1 2.766 3 0 -6.77325851762022 739859 CC1=CC=C(C=C1)NC2=NC3=NON=C3N=C2N(C)C 1 1.509 6 1 0 -13.5701512247518 739852 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)NCCC(=O)O 1 3.408 3 2 5.11944065604613 739841 CCOC1=C(C=C(C=C1)C(=O)NC2=NC=CS2)[N+](=O)[O-] 1 1.838 3 4 0 -10.6398123610329 739818 C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.499 2 4 -16.7513170838117 739817 C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3 1 2.605 1 2 -15.2282800246128 739815 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2Cl 1 2.114 4 3 0 -6.22662041449891 739812 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)Cl 1 2.114 4 3 0 -3.56872522399705 739810 CN1C(=C(C=N1)N=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCOCC3 1 1.363 5 4 0 -6.88334125054924 739803 COC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2 1 2.629 1 3 -4.46935507136512 739795 CC(C)COC1=CC=C(C=C1)CC2=CN=C(N=C2N)N 1 2.768 4 1 -3.42210982966302 739793 CCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)N(C)C 1 4.995 3 1 -4.48092980667001 739774 CCCN1C2=CC=CC=C2N=C1SCCC(=O)O 1 3.237 2 2 -10.2324951272503 739769 CC1=CC=C(C=C1)NCC(=O)NN=CC2=CC(=CC=C2)O 1 2.588 3 2 -6.20419712470344 739767 CC1=CC(=NN1)C(=O)NN=CC2=CC3=CC=CC=C3C=C2 1 2.609 4 1 -5.93704132695002 739762 CC(=NNC(=O)CCC1=CC=CC=C1)C2=CC=CO2 1 2.55 2 2 -7.56014886861065 739740 CC(=O)NC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)C4=CC=CC=C4 1 2.467 2 3 -9.09572735221212 739734 C1=CC(=C(C=C1Cl)Cl)NC(=O)C2=NC=CN=C2C(=O)O 1 2.129 3 3 -6.55262625657713 739721 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)COC3=CC=CC=C3 1 2.286 2 4 -7.13317243171883 739710 CC1=C(SC=C1)C=NNC(=O)CO 1 0.786 2 2 0 -3.46133324776105 739681 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=C3 1 2.757 2 3 -4.62474650077208 739670 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3C 1 4.109 2 3 -3.66017982710407 739669 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3 1 3.099 2 3 -0.441275191797059 739664 CC1=CC(=NO1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 1.631 3 5 0 -18.3347412247468 739658 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2)OC 1 3.108 1 4 -9.81513396401483 739657 CCOC1=CC=C(C=C1)C(=NNC(=O)CC2=CC=CC=C2)C 1 3.031 2 2 -7.95829144769066 739654 CC1=CC=C(C=C1)CC(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.972 2 3 -6.29368312156467 739653 CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-] 1 3.17 3 3 -3.64948750049868 739646 CC1=NN=C(S1)NC(=O)C2=CC=C(O2)Br 1 1.312 3 2 0 -11.5899227937423 739643 CC1=NN=C(S1)NC(=O)C2=CC=NC=C2 1 0.198 4 1 0 -11.9972830441301 739641 CC1=NC=C(C=C1)C(=O)NN=C(C)/C=C/C2=CC=CO2 1 1.649 3 2 0 -8.3335944569704 739638 C1=CC2=C(C(=C1)OC(=O)C3=CC=CO3)N=CC=C2 1 2.843 1 3 -6.0137710407507 739632 CC1=CC=C(C2=NSN=C12)S(=O)(=O)NC3CCCCC3 1 3.213 3 2 -7.71701542478837 739617 CCCC(CCC)(C(=O)NNC1=CC=C(C=C1)C)O 1 3.542 2 2 -8.652926138443 739615 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CS3 1 3.679 2 1 -1.71057805199973 739614 COC1=C(C=C(C=C1)C(=O)NN=CC2=CC=CC=N2)OC 1 1.928 3 3 0 -8.25184016634137 739613 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CO3 1 3.121 2 2 -0.176776029467845 739612 CCSC1=NN=C(S1)NC(=O)C2CCCCC2 1 2.982 3 1 -10.5562837812862 739609 C1=CC=C(C=C1)CC(=O)NN=CC2=CC=CS2 1 2.671 2 1 -6.87251660658751 739602 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.647 3 4 0 -15.0375636818995 739597 CC(C)C=NNC(=O)C1=CC=C(C=C1)Cl 1 2.705 2 1 -4.38878983101437 739596 CC1=CC2=C(C=C1)N=C([N+](=C2C3=CC=CC=C3)[O-])CCl 1 3.465 2 1 5.57252211068083 739590 CC1=C(C(=CC=C1)C)OCC(=O)NN=CC2=CC=CN2C 1 3.082 3 2 -10.6680861725706 739589 CC1=CC(=CC=C1)NCC(=O)NN=CC2=CC=CC=N2 1 2.107 4 1 -4.37978074156969 739582 CC(=C1C(=O)CC(CC1=O)(C)C)NNC(=O)C2=CC=CC=C2 1 1.445 2 3 0 -11.9723938957911 739576 CC1=CC(=O)OC(=C1C(=O)OCC(=O)C2=CC=C(C=C2)Cl)C 1 3.019 0 5 -12.3194751254769 739572 C1=CC(=CC=C1CC(=O)NN=CC2=CC=NC=C2)Cl 1 2.231 3 1 -2.97966913601106 739570 C1CSCCN1CC(=O)NN=CC2=CC=C(C=C2)Cl 1 2.122 3 1 -3.38633791764357 739551 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2CCOCC2 1 -0.233 4 4 0 -10.8337031320296 739535 CC1=CC(=CC=C1)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.833 1 2 -0.335324486963754 739533 CC1=CC=CC=C1N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.833 1 2 -2.50508966338405 739530 COC1=C(C=C(C=C1)C=NNC(=O)C2=NC=CN=C2)O 1 0.552 4 3 0 -5.86225224994525 739528 CNC1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.802 3 0 1.10525066834527 739526 CC1=CC(=NO1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.312 3 4 0 -11.7211429169921 739522 CC1=C(SC=C1)C=NNC(=O)CC2=CC=C(C=C2)Cl 1 3.822 2 1 -2.36937477988744 739520 C1=CC(=CC(=C1)O)C=NNC(=O)CC2=CC=C(C=C2)Cl 1 3.14 2 2 -0.549959296282739 739519 CC1=CC=CC=C1C=NNC(=O)CC2=CC=C(C=C2)Cl 1 3.868 2 1 -1.6084533928403 739518 C1=CC=C(C=C1)C=NNC(=O)CC2=CC=C(C=C2)Cl 1 3.382 2 1 -2.96536287095728 739515 CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C 1 1.78 2 3 0 -6.72418659362359 739495 C1CCN(CC1)CC(=O)NN=CC2=CC=C(C=C2)Cl 1 2.606 3 1 -3.25730236968236 739488 C1=CC=C2C(=C1)C=CC=C2CC(=O)NN=CC3=CC=NC=C3 1 2.476 3 1 -4.26033131452594 739485 C1=CSC(=C1)CC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 2.643 3 3 -3.68807189029082 739483 CC(=NNC(=O)CC1=CC=CS1)/C=C/C2=CC=CO2 1 2.505 2 2 -6.65055225367786 739475 CC1=C(SC=C1)C=NNC(=O)C2=CNC3=CC=CC=C32 1 3.416 3 1 -1.2442561432453 739469 COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NCC3=CC=CC=C3 1 2.635 1 4 -13.1327081280239 739457 C1=CC(=CN=C1)C(=O)NN=CC2=CC=C(O2)Br 1 1.496 3 2 0 -8.9862432089922 739449 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC3=C2N=CC=C3 1 2.398 3 4 0 -9.71399750643806 739444 COC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)OC 1 1.457 0 5 0 -6.54421935808214 739443 CCOC(=O)NC1=CC(=O)C2=CC=CC=C2O1 1 2.181 1 4 -4.1745594651802 739442 CC1(CC(=CC(=O)C1)NNC(=O)C2=CC=C(C=C2)OC)C 1 1.594 2 3 0 -16.0061777872162 739439 CN(C)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)C4=CC=CC=C4 1 3.509 2 2 -4.97756728506517 739427 CC(=NNC(=O)C1=CC(=CC=C1)Cl)/C=C/C2=CC=CO2 1 3.181 2 2 -2.55697766115215 739409 CC1=CC(=NO1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.312 3 4 0 -15.9469539560784 739397 CCCC1=NC(=NO1)C2=CC=C(C=C2)C3=CC=C(C=C3)F 1 4.327 2 1 5.99227933244599 739396 CC1=NON=C1C(=O)NN=CC2=CC(=CC=C2)O 1 0.956 4 3 0 -8.69893836054054 739392 CC1=CC(=CC(=C1)OCC(=O)NN=CC2=CC=CC=N2)C 1 2.768 3 2 -3.77600795254869 739384 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3C(=O)O 1 3.188 2 3 -2.23346653735483 739383 CC1=CC(=CC(=C1)OCC(=O)NN=CC2=CC=NC=C2)C 1 2.34 3 2 -5.40089647388703 739382 CC1=CC(=CC(=C1)OCC(=O)NN=CC2=CC=CO2)C 1 2.886 2 3 -5.55948106711533 739378 CC(=O)NC1=CC2=C(C=C1)N(C=N2)C3=CC=CC=C3 1 2.248 3 1 -2.11793788574479 739368 C1COCCN1CCSC2=NC3=CC=CC=C3N2 1 2.255 3 1 -4.48764478670115 739361 CC1=NC=C(C=C1)C(=O)NN=CC2=CC=CC=C2OC 1 1.799 3 2 0 -8.15857644678359 739359 COC1=CC=CC=C1C=NNC(=O)C2=CC3=C(C=C2)OCO3 1 2.435 2 4 -7.05471752715012 739358 CC(=O)NC1=NC2=C(S1)C(=O)NCCC2 1 -1.5e-002 3 2 0 -11.5650207415364 739354 C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=N 1 2.699 2 2 -6.5107914696237 739353 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)CC(C)C 1 3.253 3 1 -12.8369366007057 739352 CC(=NNC(=O)C1=CC=NC=C1)C2=CC=C(C=C2)N(C)C 1 1.675 4 1 0 -10.3412533322251 739348 CC1=NN=C(S1)NC(=O)C2=CC=CC=C2Br 1 2.097 3 1 -10.5093534872862 739344 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CS3 1 3.177 2 2 -4.2856355237683 739343 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CO3 1 2.967 2 3 -3.85093617090879 739341 CC1=CC(=NC=C1)NS(=O)(=O)C2=CC=CC=C2 1 2.192 2 2 -3.51816854800976 739340 CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CO2 1 4.021 3 2 -12.7798428439433 739331 CC1(CC2=C(C(=O)C1)C(C3=C(O2)CC(CC3=O)(C)C)(C)C)C 1 2.89 0 3 -7.90850862784055 739324 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.13 3 3 -11.7603670295254 739322 C/C(=C/C(=O)N1CCN(CC1)C)/C(=O)O 1 -2.808 2 3 0 -3.78141850685913 739319 C=CCN(CC=C)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N 1 0.895 3 3 0 -16.3209625258568 739318 CN1CCN(CC1)C(=O)CCC(=O)O 1 -3.653 2 3 0 -8.84823227569766 739316 CN(C)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N 1 -0.339 3 3 0 -12.8713239374544 739314 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.853 3 3 -6.23836985316591 739312 CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)NC(=O)C 1 2.509 3 1 -4.25465153519235 739306 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=CNC4=C3C=C(C=C4)Cl 1 4.181 2 2 0.582743406615762 739305 C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3 1 3.988 3 1 -9.25466463381339 739302 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3CC(=O)O)Br 1 2.128 1 3 -4.94488208815167 739296 CC1(CC(=O)C(C(=O)C1)C2C3=CC=CC=C3OC4=CC=CC=C24)C 1 3.736 0 3 -6.83307152053612 739288 CN1C(=O)C=CC=C1C2=CC=CC=C2 1 1.63 1 1 0 -0.633861250709972 739281 CCN(C1=CC=CC=C1)C(=O)C2=CC3=CC=CC=C3OC2=O 1 3.199 1 3 -11.3603482533354 739268 CC1=CC2=C(C=C1)NC=C2CCCN3C(=O)C4=CC=CC=C4C3=O 1 4.003 2 2 -0.730089464630225 739263 CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3C(=O)O2)[N+](=O)[O-] 1 3.521 2 4 -9.04029167696353 739245 C1=CC=C2C(=C1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)O 1 2.605 1 3 3.98013232508322 739244 C1=CC2=NC(=CN2C=C1)COC3=CC=C(C=C3)C=O 1 2.112 2 2 -7.33089002879639 739237 CC1=C(SC(=S)N1C)NC(=O)OC(C)C 1 3.11 2 2 -7.43014608492805 739217 CCOC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.732 1 4 -10.6462488425385 739214 CC1=C(C=CC=C1NC(=O)C)C2=NC3=CC=CC=C3S2 1 3.445 2 1 1.85857363436149 739206 COC1=CC=C(C=C1)C(=O)NCC2(CCOCC2)C3=CC=CC=C3 1 2.746 1 3 -18.7920550735105 739189 C1CCC(C1)(CNC(=O)C2=CC=CO2)C3=CC=CC=C3 1 3.471 1 2 -15.5822545543917 739188 COC1=C(C=C(C(=C1)CO)C2(CCCC2)CO)OC 1 2.043 0 4 -3.94535494738249 739179 C1=CN(C(=C1)C=O)C2=CC=C(C=C2)S(=O)(=O)N 1 1.462 2 3 0 -2.70289797908338 739172 COC(=O)C(=C1CCCCC1)NC(=O)C2=CC=CC=C2 1 3.053 1 3 -6.16962908079922 739165 CC(=C(C(=O)NCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C 1 2.992 2 2 -12.5660296936532 739161 C1=CC(=CN=C1)C(=O)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F 1 3.011 5 1 -6.08918410622632 739146 C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC(=CC=C4)O 1 3.668 3 2 -6.76212898829395 739136 C1CCC(CC1)CCC(=O)NCC2=CN=CC=C2 1 2.634 2 1 -16.1854541674172 739121 COC1=CC2=C(CCC3=C2N=C(S3)N)C=C1 1 2.481 2 1 10.5464610173225 739097 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C2=NN=N4 1 2.669 5 0 -2.64923141837338 739094 C1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)[N+](=O)[O-] 1 3.022 3 2 1.69460909964481 739078 COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)O 1 3.45 3 3 -12.502367386143 739071 CC(C)COC1=C(C=C(C=C1)C(=O)C)CC(C(=O)N)C(=O)N 1 1.217 2 4 0 -8.34573060379242 739069 CC1=CC(=C(C(=C1)C=NNC(=O)N)C)CO 1 1.176 3 2 0 -2.18120841053575 739041 C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC(=O)O 1 1.684 2 3 0 -13.8825704342916 739040 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OC)C 1 3.206 3 3 -13.1138397415427 739039 C1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=CS3 1 4.191 3 1 -4.09672875363261 739034 C1=CSC(=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br 1 3.384 3 1 -10.3855741691675 739027 CC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CS3 1 4.358 3 1 -5.00385737451031 739004 C1=CSC(=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Cl 1 3.3 3 1 -6.29571641404314 738976 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.044 2 4 -17.4777033111006 738961 COC1=CC=C(C2=CC=CC=C21)C=NC3=CC=CC4=C3C(=O)NNC4=O 1 2.53 3 3 5.71459140545483 738960 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.678 2 3 -18.0290871951193 738951 CC1(C=C2C(=NN(C(=C2C#N)N)C3=CC=CC=C3)CO1)C 1 1.915 4 1 0 -1.85491979870729 738932 CC1=C(N(C(=C(C1=O)C(=O)C)O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.882 1 3 -0.363002039537315 738916 CNC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31 1 3.329 2 1 -5.5222570333993 738915 CNC(=O)N1C2=CC=CC=C2C=CC3=CC=CC=C31 1 2.885 2 1 -2.61482053951105 738906 CC(=O)N1CC2(CN(CC(C1)(C2O)C)C(=O)C)C 1 -1.17 2 3 0 -3.31422879131718 738896 CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCCC3 1 2.478 2 2 -15.708641154281 738894 C1CC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3 1 4.358 3 1 -22.9383754944219 738884 COC1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3 1 3.847 2 3 -9.01620158698157 738882 COC1=CC=C(C=C1)NC(=S)NCCN2CCOCC2 1 2.322 3 2 -10.8491330324901 738881 COC1=CC=C(C=C1)NC(=S)NCC2=CC=CS2 1 3.819 2 1 -10.1691994919336 738878 CC(=C(C(=O)NC1=CC=C(C=C1)C(=O)O)NC(=O)C2=CC=CC=C2)C 1 2.615 2 4 -10.5477538493809 738877 CC(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.658 2 2 -4.84955684507251 738875 CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Cl 1 3.066 2 2 -7.33805136199571 738874 CCC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3Br 1 3.816 2 2 4.24442158873449 738873 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 4.59 3 1 -9.91093562446005 738864 C1=CC=C2C(=C1)C(=O)N=C(S2)NC(=O)C3=CC=C(C=C3)F 1 3.684 2 2 -5.52452150890308 738863 C1=CC=C2C(=C1)C(=O)N=C(S2)NC(=O)C3=CC=C(C=C3)Cl 1 4.143 2 2 -4.41439984378152 738862 CCN(CC)C(=O)OC1=CC(=O)N2CCCC3=CC=CC1=C32 1 2.36 2 3 -8.34142411004573 738861 C1CN(CCC1C(=O)N)C(=O)C2=CC=CO2 1 0.113 2 3 0 -4.66471178839704 738859 CC1=C(N(C2=CC=CC=C12)C(=O)CNC3=CC=C(C=C3)OC)C 1 4.053 2 2 -2.72061155433428 738845 CN1C=NN=C1SCCC(=O)NC2=CC=CC=C2 1 1.367 4 1 0 -16.8250060004018 738843 COC1=C(C=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=CO3 1 2.731 2 4 -12.4484312685176 738842 CC1=NC2=CC=CC=C2N1C(=O)N3CCOCC3 1 1.485 3 2 0 -1.75973647548041 738841 COC1=CC=C(C=C1)OC(=O)N2CCOCC2 1 1.47 1 4 0 -5.7002840340101 738837 CC1=C(C=CO1)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.806 1 2 1.35389978515429 738819 C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)Cl 1 2.806 2 2 2.93502634790839 738775 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.634 1 2 -8.06616050698118 738773 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)N3CCOCC3 1 2.27 3 2 -1.84007618522624 738765 CCOC(=O)C1=C(SCC1=O)NC2=CC(=CC=C2)Cl 1 3.107 1 3 -4.09423071337157 738764 CC1=CC2=C(C=C1)N=C(O2)C3=CC(=CC(=C3)N)N 1 2.273 3 1 9.43105470875021 738739 CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCC3)C(=O)O 1 3.444 1 3 -13.3633198271298 738736 CC1=C(C=C(C=C1)F)NC(=O)CSC2=NC=CC=N2 1 2.442 3 1 -9.52197811683856 738735 C1CCC2=C(CC1)SC(=C2C(=O)O)NC(=O)C3=CC=CO3 1 3.265 1 4 -10.4857485823586 738714 CC1=CC2=C(C=C1)NC3=C2SC(CC3=O)(C)C 1 3.699 1 1 -2.07535255480661 738713 CC1=C(C(=O)N=C(N1)SC(C)C)CC=C 1 2.662 2 1 -12.2755452084114 738709 CC1=CC=C(C=C1)SCC(=O)NC2=CC(=CC=C2)SC 1 4.036 1 1 -3.01395567811859 738701 CCOC(=O)NC(=S)C1=CC=CN1 1 2.098 2 2 -3.5824278209145 738699 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)F 1 3.558 2 2 -8.41378721735336 738697 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 2.747 2 3 -6.07008942717026 738694 C1=CC=C(C(=C1)NC(=S)NCC2=CC=CC=N2)Cl 1 3.824 3 0 -8.27604392017722 738692 C1=CC=NC(=C1)CNC(=S)NC2=CC(=CC=C2)F 1 3.365 3 0 -7.41912359495441 738691 CC1=CC(=C(C=C1C)O)NC(=O)C2=CC=C(O2)Br 1 3.308 1 3 -2.75337413982585 738686 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.845 3 4 0 -6.78089245842403 738674 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)F 1 3.604 2 2 -5.1180802742326 738673 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3F 1 3.604 2 2 -8.57732461992582 738661 CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC=CO4 1 3.838 4 2 -3.9120479233098 738657 C1=CC=C2C(=C1)N=C(N2CC3=C(C=C(C=C3)F)Cl)C4=CSC=N4 1 4.813 3 0 0.24383778539216 738632 COC1=C(C=C(C=C1)C=NNS(=O)(=O)C2=CC=CC=C2)OC 1 2.353 2 4 -5.85655601425135 738629 C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)Cl 1 3.101 5 1 -18.7458360762289 738619 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)N(C)C 1 0.245 4 2 0 -12.5299511251275 738618 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br 1 2.156 1 2 -12.3024871206854 738616 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CS2 1 2.59 1 2 -0.410748621422152 738615 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)Br 1 2.596 1 3 -12.3799445258926 738611 CNC(=O)CC1=CSC2=C1C=C(C=C2)Cl 1 2.599 1 1 -5.89305423566026 738585 COC1=CC(=CC(=C1)CNCC2=CC=C(C=C2)SC)OC 1 3.46 1 2 1.5312423836437 738575 C1C2CC3CC1CC(C2)C3NCCC4=CC5=C(C=C4)OCO5 1 3.714 1 2 1.34529963053595 738566 COC1=CC=CC(=C1OC)CNCC2=CC=C(C=C2)SC 1 3.46 1 2 4.0204355940207 738558 C1NC(=S)NCN1CCC2=CC=CC=C2 1 2.484 3 0 -2.4239589210514 738555 C1NC(=S)NCN1CC2=CN=CC=C2 1 1.012 4 0 0 -3.99841313985052 738549 C=CCN1C(=NNC1=S)C2=CC=NC=C2 1 1.568 4 0 0 -7.54978648813903 738540 COC1=CC=C(C=C1)CNCC2=CC(=CC=C2)Cl 1 3.599 1 1 4.30031491103403 738537 CNC(=S)NN=CC1=CC=CC=C1Cl 1 2.896 3 0 -4.7793238470351 738517 CC(C)(C)C1CCC(CC1)OC(=O)CN2CCCCC2 1 3.968 1 2 -7.49876365231009 738515 CCOC(=O)NN=CC1=CC=C(C=C1)F 1 2.216 2 2 -5.20856548710538 738499 COC1=C(C=CC(=C1)C=O)OCC2=CC=C(O2)C(=O)OC 1 2.468 0 6 -12.0838733164989 738498 COC1=C(C=CC(=C1)CC=C)OCC2=CC=C(O2)C(=O)OC 1 3.717 0 5 -11.8792815012473 738490 CC1=CC=C(C=C1)NC2=NN=NS2 1 1.443 4 0 0 -1.96247310911212 738487 C1=CC(=CC=C1C2=CSC(=N2)C3=CC=NC=C3)F 1 3.212 2 0 8.15145280916311 738484 C1=CC(=CC=C1C2=CSC(=N2)C3=CC=NC=C3)Br 1 3.755 2 0 7.80491472918323 738483 C1=CC=C(C=C1)C2=CSC(=N2)C3=CC=NC=C3 1 3.006 2 0 6.96505936738265 738447 C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CS2 1 4.187 2 1 -8.17543320844525 738437 COC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-] 1 1.329 1 5 0 -7.67990966705412 738402 CC1=CC(=C(C=C1)NC2=CC(=NC3=CC=CC=C32)C)C 1 4.821 2 0 4.39570218153995 738401 CC1=NC2=CC=CC=C2C(=C1)NC3=CC=CC=C3Cl 1 4.513 2 0 5.72749666185555 738399 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3 1 4.516 1 2 -3.17988474525091 738393 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.77 2 5 0 -10.7976253394894 738389 C1CN(CCN1)C2=C3C=CC(=CC3=NC=C2)Cl 1 2.264 3 0 0.971672913123879 738381 C1CCN(CC1)C(=O)C2=CC3=C(C=C2)SN=N3 1 2.334 3 1 -8.40069888199798 738380 CC1=CC=C(C=C1)SCC(=O)N2CCC3=CC=CC=C32 1 3.775 1 1 -8.90859193975424 738379 COC1=CC=CC=C1C(=O)N2CCC3=CC=CC=C32 1 2.878 1 2 -11.5011737739738 738376 C1COCCN1C(=O)C2=CC3=C(C=C2)SN=N3 1 1.104 3 2 0 -9.96899533177357 738371 CC1CCN(CC1)CC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42 1 4.508 2 1 -6.53797461647852 738368 CC1=CC(=CC=C1)NC(=O)NCC2=CC=C(C=C2)OC 1 2.999 2 2 -3.01836807645206 738367 C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)C3=CC=C(C=C3)Br 1 2.96 2 2 -5.96041214589669 738366 C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)C3=CC=C(C=C3)Cl 1 2.876 2 2 -4.50375240079525 738365 C1=CC=C(C=C1)C(=O)CN2C=NC3=CC=CC=C3C2=O 1 2.212 2 2 -7.28981165590382 738360 CC1=C(OC2=CC=CC=C12)C(=O)NC3=NC=C(C=C3)Cl 1 3.748 2 2 5.11669029248569 738359 CC(C)(C)C1=CC=C(C=C1)SCCC2=CC=CC=N2 1 4.668 1 0 3.21263035901183 738355 CC1=C(C=C(O1)/C=C(\C)/CO)C(=O)O 1 1.31 0 4 0 -1.44322865118594 738354 CC1=CC(=NC2=CC(=NN12)C3=CC=C(C=C3)Cl)C 1 3.279 3 0 -2.32387246720542 738352 CC1=NN2C(=CC(=NC2=C1)C3=CC=C(C=C3)OC)C(F)(F)F 1 3.686 3 1 -5.24695895933118 738349 C1CSC2=NC(=C(N21)N=CC3=CC=C(C=C3)F)C4=CC=C(C=C4)F 1 4.904 3 0 4.84724146468683 738342 COC1=C(C2=C(CN(C2=O)C3=CC=CC(=C3)/C=C/C(=O)O)C=C1)OC 1 2.638 1 5 -4.57716263353733 738341 COC(=O)C1=C(C=CS1)NC(=O)C2=CC=CC=C2 1 2.423 1 3 -9.44250313226824 738338 C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=CS3 1 0.485 4 2 0 -9.94803265063098 738300 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 2.362 2 2 -9.68632735820836 738302 CC1=CC=C(C=C1)NS(=O)(=O)N(C)C 1 0.818 2 2 0 -1.18233623633149 738326 C1C[C@@H]2C[C@H]1C[C@H]2NS(=O)(=O)C3=CC=CS3 1 2.129 1 2 -5.53838917750624 738322 COC1=CC=C(C=C1)N2C(=CC(=O)NC2=O)N 1 0.534 3 3 0 -6.32056718003681 738317 C1CCN(CC1)C(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CO3 1 2.513 2 3 -17.3451275513489 738288 CC1=C(SC(=S)N1C)NC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 4.642 3 1 -3.82723798605758 738280 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=N3 1 1.66 2 3 0 -9.1029121719206 738270 C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Cl 1 4.234 2 2 -3.99788138223163 738269 CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)Br 1 3.437 2 2 -9.40666921654223 738262 COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CN=CC=C2)C(=O)OC 1 1.174 2 5 0 -10.9762684544853 738260 COC1=CC2=CC=CC=C2C=C1C(=O)NC3=NC=C(C=C3)Cl 1 3.559 2 2 -1.76744807336766 738257 CCOC(=O)CC1=CC(=O)N2C(=N1)C=C(N2)C 1 -0.216 3 3 0 -12.3166384693215 738247 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=N2)C)C 1 3.093 2 2 -3.04042180132479 738246 C1=CC=C(C=C1)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.502 2 2 -3.27686918036305 738243 C1=CC=C(C=C1)CC(=O)NC2=NC=C(C=C2)Cl 1 2.702 2 1 -3.83855967140478 738235 C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CO3 1 4.24 3 2 -7.32446163267429 738234 C1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=CO3 1 3.633 3 2 -3.22630806801534 738231 C1=CC(=CC=C1CC(=O)NC2=NC=C(C=C2)Br)Cl 1 3.45 2 1 -5.29160383116277 738228 C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl 1 3.591 2 2 1.18261033214284 738225 CC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CO3 1 3.8 3 2 -4.01285705013086 738198 CC1=CC2=NN(N=C2C=C1NC(=O)C)C3=CC=CC=C3 1 2.778 4 1 -7.73441171520146 738196 C1COCCN1C2=NC(=NC(=N2)N3C=CC=N3)N4CCOCC4 1 0.195 7 2 0 0.52825495341993 738194 C1=CC=C(C=C1)C2=CC=CC=C2N3C=NN=N3 1 2.235 4 0 -8.74928294327759 738183 CN1C2=C(CCCC2)C3=C1C=CC(=C3)[N+](=O)[O-] 1 3.606 2 2 3.85594558732531e-002 738182 C1CCC(=O)N(C2=CC=CC=C2C(=O)C1)C3=CC=CC=C3 1 3.434 1 2 -7.44358688155926 738171 CC1=CC=CC=C1CN2C(=NC=C2[N+](=O)[O-])C 1 2.272 3 2 -9.21814048350285 738168 CC1=CC=CC=C1CN2N=C(N=N2)C3=CC=C(C=C3)F 1 3.78 4 0 2.69023728329887 738167 CC1=NC=C(N1CC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-] 1 1.044 4 3 0 -10.0394414418096 738164 CC1=C(C=C(C=C1)NC(=O)CN2C(=NC=C2[N+](=O)[O-])C)Cl 1 1.989 4 3 0 -10.5077592076999 738162 CC1=NC=C(N1CC2=CC=C(C=C2)F)[N+](=O)[O-] 1 1.991 3 2 0 -6.61351142858193 738158 CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)C 1 2.506 1 4 -9.3799101308665 738157 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CS2 1 2.087 1 3 -6.30825684297358 738148 CN1CC(=NS(=O)(=O)C2=CC=CC=C2)N(C1=O)C 1 0.663 3 3 0 -7.96032441105441 738125 C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)Cl 1 2.01 1 3 -4.8488566983113 738124 COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)O 1 1.329 1 4 0 -7.08382159804225 738098 C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])N 1 2.428 3 3 10.4756009008596 738096 CS(=O)(=O)NC1=CC2=C(COC2=O)C=C1 1 0.35 1 4 0 -7.08653901489876 738094 C1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)C(=O)O1 1 2.887 1 3 -8.42497647082649 738093 CC1(CC2=CC=CC=C2C(=N1)NN=CC3=CC=C(C=C3)Cl)C 1 4.265 3 0 0.779096958716761 738092 C1=CC2=C(C3=C(N2C=C1)C=C(C=C3)O)C#N 1 2.499 2 1 -0.281372528379176 738090 C1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)O1 1 2.887 1 3 -6.35790369056883 738089 CCOC(=O)CC(=O)NC1(CCCCC1)CC2=CC=C(C=C2)O 1 3.135 1 4 -4.12937355742217 738084 CC1=CC2=NN(N=C2C=C1NC(=O)C)C3=CC=C(C=C3)OC 1 2.762 4 2 -7.48088541375797 738083 COC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)O 1 2.287 1 3 -1.00142351963641 738066 C1=COC(=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)CCC(=O)O 1 1.415 3 5 0 -6.62812998727386 738047 CC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C(=N3)C)C 1 3.69 3 0 1.89625530333876 738018 CN(C)C(=O)C1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32 1 1.912 3 2 0 -12.6481457447566 738011 C1=CC(=CC=C1C2=C3C=C(C=CC3=NO2)C=O)Cl 1 3.854 1 2 2.27267150488458 738010 C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C=O 1 3.19 1 2 -2.38436020174349e-002 737989 CCNC(=O)N1C2=C(C=C(C=C2)OCC)C(=CC1(C)C)C 1 3.083 2 2 -7.41892786923652 737970 C1=CC=C(C=C1)/C(=C/C2=CC=CS2)/C(=O)O 1 3.359 0 2 -4.67050111003571 737967 C1=CC(=NC=C1C(F)(F)F)N2C=CN=C2 1 1.83 3 0 0 3.38138868898488 737953 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3 1 4.801 1 2 0.445921012200823 737925 CC1=CC2=C(C=C1)N(C(C=C2C)(C)C)S(=O)(=O)C3=CC=C(C=C3)F 1 4.465 1 2 -5.23574737992236 737924 CC1=CC(N(C2=CC=CC=C12)S(=O)(=O)C3=CC=C(C=C3)F)(C)C 1 3.979 1 2 -5.23205442234462 737912 CC1=C(C=C(C=C1)NC2=CC(=O)NC(=O)N2)C 1 2.027 3 2 -7.31800039299067 737909 CCCC1=NN2C(=CC(=O)N=C2S1)O 1 2.062 3 2 -8.43734118773653 737908 CCC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=C(C=C3)C)OCCO2 1 3.293 1 4 -11.2138556980047 737898 CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=CC=CS3 1 3.231 2 1 0.327160701103104 737895 CC1=NC(=CS1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.98 2 2 0.684290903096684 737891 CCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)C 1 2.28 2 1 -1.05219012014686 737890 C1=CC(=CC=C1N2C=CNC2=S)Cl 1 2.751 2 0 -1.02187779882091 737888 CCC(=O)NC1=CC=CC(=C1)C2=CSC(=N2)C3=CC=CC=C3 1 3.944 2 1 3.53583164572817 737887 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N 1 1.786 2 1 0 0.289997976846119 737853 C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C(=O)O 1 2.398 0 4 -4.0729193734847 737849 CC1=NN(C=C1)C2=CC(=C(C=C2O)N3C=CC(=N3)C)O 1 2.364 4 2 0.143102097132626 737840 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O 1 1.535 1 4 0 -15.7957588435126 737827 COC1=CC=C(C=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2Cl 1 3.064 1 4 -12.0836784133067 737819 CC1=CC=C(C=C1)/C=[N+](/C)\[O-] 1 1.407 1 1 0 0.862227705407642 737814 C1=C(C=NC(=C1Cl)NN=C(CCC(=O)O)C(=O)O)C(F)(F)F 1 2.371 3 4 0 1.37070776046688 737790 C1=CC(=CC(=C1)NC(=O)CSCC(=O)O)C(F)(F)F 1 1.855 1 3 0 -5.93452394361975 737765 COC1=CC(=C(C=C1)C(=O)NCC2(CCCC2)C3=CC=CC=C3)OC 1 4.043 1 3 -16.2312185696476 737757 CCOC(=O)COC1=C(C=C(C=C1C=NO)Cl)OC 1 2.344 1 5 -3.13567453219088 737756 C1CCN(C1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br 1 2.162 3 1 -4.3324899162022 737755 CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CN=CC=C4)C 1 3.778 5 1 -9.09813604387387 737752 CC1=C(C(=O)NC(=C1Br)C)C#N 1 0.928 2 1 0 -6.31501293790763 737750 CC1=CC(=NN1)C2=CC=CS2 1 2.319 2 0 -0.40064978459955 737745 CC(C)C(=O)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)F 1 3.627 4 1 -8.62660695466579 737736 C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.135 3 2 4.33925296757063 737734 CN(C)C1=CC2=C(C=C1)C(=O)NNC2=O 1 0.203 3 2 0 -3.70011322522712 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737481 COC1=CC=C(C=C1)OC2=CC=CC=C2C=NO 1 3.2 1 3 6.89897217809469 737479 C1=CC=C(C=C1)OC2=CC=CC=C2C=NO 1 3.216 1 2 6.80056794945718 737477 CC1=CC=C(C=C1)OC2=CC=CC=C2C=NO 1 3.703 1 2 7.45721495843839 737473 CC1=NC2=C(C=CC=C2OCC3=CC=CC=C3)C=C1 1 3.865 1 1 -2.6850173319785 737470 CC1=C(C(=CC(=C1C)Br)C(=O)N2CCCC2)C 1 3.912 1 1 -3.83991260417486 737435 CC1=C(N2C=CC=CC2=C1)C(=S)NC(=O)C3=CC=CC=C3 1 3.995 2 1 -7.85163203530182 737423 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC 1 0.394 2 5 0 -19.2754752912232 737409 C1=CC=C2C(=C1)N=C(S2)CC3=C(C=CC(=C3)O)O 1 3.389 1 2 6.59603967080616 737348 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)O 1 1.021 1 5 0 -17.1044703419743 737341 CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)/C=C/C(=O)O)OC 1 2.197 1 5 -15.0234466525785 737302 C1=CC=C(C=C1)NC(=S)NCCC2=CC=CC=N2 1 3.408 3 0 -10.2559312907533 737300 C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=N2 1 3.16 3 0 -9.43780216944583 737287 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2CC2 1 1.197 1 4 0 -9.24135741099891 737281 C1=COC(=C1)/C=C(/C#N)\C(=S)N 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1.683 1 1 0 -1.67817278540586 736823 COC(=O)/C=C/C1=CC2=C(C=C1)OCO2 1 1.921 0 4 0 -3.6509037671881 736813 CC(C)(C)OC(=O)NCC1=NNC(=S)N1C 1 1.072 4 2 0 -11.6209959119442 736812 COC(=O)C1=CC2=C(C=C1)N=CC=C2 1 1.871 1 2 0 -1.8366158965575 736799 C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CO2 1 2.669 3 2 -6.60135637051938 736798 CN1C2=C(C(=O)C=C(N2C3=CC=CC=C3)O)C(=O)N(C1=O)C 1 1.784 3 4 0 -6.64768035960265 736783 CC(=O)C1=C(C2=CC=CC=C2NC1=O)C(=O)O 1 0.532 1 4 0 -7.81465220943947 736779 C1=CC=C(C=C1)NC(=O)NN2C=NN=C2 1 0.141 5 1 0 -4.48108132763178 736768 CC1=CC=C(C=C1)C2=CC(=NN2)N 1 2.362 3 0 4.99521915152429 736734 CC1(CNC(=O)C2=CC(=C(C=C2O1)OC)OC)C 1 1.39 1 4 0 -8.54545326442224 736711 CC1=NN(C(=C1C=NO)Cl)C2=CC=CC=C2 1 2.624 3 1 5.98279721102533 736696 C1=CC(=CC=C1/C=C(/C#N)\C(=O)N)[N+](=O)[O-] 1 1.033 3 3 0 -9.37838164945734 736690 C1CCN(C1)C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4 1 4.084 3 0 3.02502564382212 736689 C1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=CC=C3 1 3.835 2 0 -2.19385531760315 736688 C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)/C=C/C(=O)O 1 4.074 0 3 9.46553669718326 736679 CC1=CC(=NC(=N1)SSC2=NC(=CC(=N2)C)C)C 1 3.154 4 0 -1.78214777950875 736673 C1=CC=C(C=C1)C2=NC(=C(C(=N2)Cl)N)Cl 1 2.671 3 0 5.73084733621896 736657 C1=CC=C(C=C1)C2=CC(=C(S2)N)C(=O)NN 1 1.189 3 1 0 0.559055546389333 736634 CCOC(=O)CC1=CSC(=N1)NC(=O)NC2=CC=C(C=C2)C 1 2.673 3 3 -8.81178612131368 736632 C1=CC(=C(C=C1[N+](=O)[O-])/C=C(\C#N)/C(=O)N)Cl 1 1.697 3 3 0 -7.34354539578739 736628 CCOC(=O)C1=C(SC=C1C2=CC=CO2)N 1 1.987 1 3 0 2.18146781392111 736603 COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2N)OC 1 2.003 3 3 -11.979845378433 736593 C1=CC=C2C(=C1)N=NN2CC(=O)NN=CC3=CC=CS3 1 2.299 5 1 -15.1276419753875 736592 C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NN=CC3=CN=CC=C3)N 1 1.137 6 1 0 -5.6360517550101 736588 C1CC2=C(C1)N=C3C(=CNN3C2=O)C#N 1 -0.248 4 1 0 -10.3781169017489 736587 C1CCC2=C(C1)C(=O)N3C(=N2)C(=CN3)C#N 1 0.209 4 1 0 -10.6869270226336 736584 C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl 1 4.349 3 0 1.00776358913809 736582 C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)Cl 1 4.411 4 0 -0.504239480179393 736577 C1CN(C2=CC=CC=C21)C(=O)CSC3=CC=CC=C3 1 3.288 1 1 -10.0001701620828 736576 CN1C=CN=C1SCC(=O)N2CCC3=CC=CC=C32 1 1.923 3 1 0 -12.6399350099875 736569 CCN1C(=NNC1=S)CC2=CC=CC=C2 1 2.485 3 0 -5.95067831089595 736560 CC(=NNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)C 1 -0.271 6 2 0 -12.2422825781601 736554 CC1=CC(=NC2=C1C3=C(S2)C(=NC=N3)N4CCOCC4)C 1 2.127 4 1 -3.52253957595906 736553 CCN(CC)C1=NC=NC2=C1SC3=C2C(=CC(=N3)C)C 1 3.137 4 0 -4.29784890439649 736535 CC1=NC(=CS1)C2=CC(=CC=C2)N 1 1.746 2 0 0 6.44514075803159 736534 C1C(=NN2C(=NN=C2S1)C3=CC=CS3)C4=CC=C(C=C4)Cl 1 4.337 4 0 -2.29298480564439 736533 CN1CCN(CC1)C2=CC=C(C=C2)C=O 1 1.708 2 1 0 1.30252134101019 736528 CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CO3 1 3.436 3 3 -11.7153321321284 736520 C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=NC=C3 1 2.534 4 0 -1.47142852689109 736505 C1=CC=C(C=C1)CN2C3=CC=CC=C3NC2=O 1 2.482 2 1 -3.68059468302437 736489 C1CN(CCC1C(=O)O)C(=O)OCC2=CC=CC=C2 1 1.908 1 4 0 -6.6791071113823 736488 CC1=C(SC(=N1)C)C(=O)O 1 0.75 1 2 0 -5.49818133385678 736482 C1=CC=NC(=C1)C2=CC=C(S2)C(=O)O 1 2.5 1 2 -1.67805600369094 736479 CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)F 1 3.289 2 1 -1.90153052460785 736471 CC1=C(C2=C(N1O)C=CC3=[N+](ON=C32)[O-])C(=O)C 1 -3.374 3 4 0 2.31046490800307 736468 C1CCC2(CC1)N=C3C(=N)C=CC=C3N2O 1 1.488 3 1 0 -1.71284963199925 736467 C1CCC2=C(C1)C3=C(N2O)C=CC4=[N+](ON=C43)[O-] 1 -1.876 3 3 0 7.60844470336426 736466 CCOC(=O)C1=C(N(C2=C1C3=NO[N+](=C3C=C2)[O-])OC)C 1 -2.871 3 5 0 -0.839457370366784 736465 COC(=O)[C@H]1CC2=C([C@@H](N1)C3=CC=CC=C3)NC4=CC=CC=C24 1 3.375 2 2 -9.61252055138715 736420 CC(=O)/C=C/C1=NC2=CC=CC=C2C=C1 1 2.642 1 1 2.98694945713149 736422 CC1(NC2=C(CCCC2=[N+]1[O-])N=O)C 1 -0.409 3 2 0 -3.77021997829821 736423 C1=CC(=CN=C1)NC(=O)NC2=CC=C(C=C2)F 1 1.577 3 1 0 -2.29589724961582 736451 CC1=CC=CC=C1CN2C=C(C(=O)NC2=O)C 1 1.71 2 2 0 -6.4789489233765 736444 CN1C2=C(N=C1N3CCC4=CC=CC=C4C3)N(C(=O)N(C2=O)C)C 1 1.642 5 2 0 -9.05410429101538 736441 C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3NC2=O)[O-] 1 1.578 2 2 0 -5.63654264947475 736436 CON1C2=C(CCCC2)C3=C1C=CC4=[N+](ON=C43)[O-] 1 -1.837 3 3 0 4.48840415102183 736391 C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=CC=CC=C3 1 0.903 5 1 0 -1.90966329065594 736378 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 1.223 2 5 0 -10.0613580873604 736374 C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)N 1 3.09 4 0 0.486149575211225 736373 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)N 1 1.821 2 1 0 -3.97458114240295 736370 C1=CC=C2C(=C1)C=NNC2=S 1 1.875 2 0 0 -2.67568696116445 736368 COC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3N=C2)C4=CC=CC=C4 1 4.922 1 2 2.47414734362361 736364 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NC=NN4 1 3.38 4 1 -7.00290340597261 736358 CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)[N+](=O)[O-])C 1 3.885 3 2 -11.4185450857315 736357 C1=CC=C(C=C1)N2C(=NNC2=S)C3=CN=CC=C3 1 2.528 4 0 -4.59789068411452 736355 CC1=CC(=NC2=C1C(=C(S2)C(=O)NN)N)C 1 0.564 4 1 0 -3.46807255496529 736351 C1=CC2=C(N=C1)N=C(O2)C3=C(C=CC(=C3)N)Cl 1 2.243 3 1 9.77052274914446 736350 C1CCN(CC1)C2=C(C=C(C=C2)N)Cl 1 2.827 2 0 5.16432002944244 736346 C1CC2=CC=CC=C2N(C1)C(=O)C3=C(C=C(C=C3)F)F 1 3.762 1 1 -3.91694382462523 736339 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCCC4=CC=CC=C43 1 3.898 2 2 -10.0163430653359 736324 COC1=C(C=CC(=C1)N)C2=CC3=CC=CC=C3OC2=O 1 2.615 1 3 2.15834891495493 736314 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=NC4=CC=CC=C4S3 1 2.425 2 3 2.41590204107058 736295 CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3 1 3.453 3 1 -6.43410025465131 736288 CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3 1 2.735 5 2 0 -8.03051888305304 736287 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CC=CO3 1 2.234 4 2 -8.54812332394091 736276 CCOC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3 1 1.363 4 3 0 -7.37430663603253 736271 CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)N)C 1 3.398 4 0 1.58779619605754 736267 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC 1 3.886 2 2 -19.6293090294806 736256 C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C(=O)O 1 3.329 0 3 5.46744304430301 736252 C1=CC=C2C(=C1)N=CC(=N2)SCC(=O)O 1 1.856 2 2 0 -6.14551594504102 736251 C1=CC(=C(N=C1)SCC(=O)O)C(=O)O 1 0.871 1 4 0 -12.6825606868185 736241 C1COCCN1C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 -0.482 2 5 0 -7.59013512612932 736235 CC(C)NC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O 1 0.351 2 4 0 -10.9246719012015 736233 C1=CN=CC2=C1C(=O)N(C2=O)CO 1 -0.846 2 3 0 -4.80845300891469 736227 C1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.208 2 4 0 -9.46567896335226 736217 C1=CC=C(C(=C1)CN2C=CC=C2C=O)[N+](=O)[O-] 1 2.658 2 3 -4.04213133878875 736215 CC1=CC(=CC(=C1)NC(=S)N)C 1 3.052 2 0 -2.27491836914267 736201 C1=CC=C2C(=C1)C=CC=C2NS(=O)(=O)C3=CC=CS3 1 3.012 1 2 -1.99456885813409 736199 CC1=CC2=NC(=CC(=O)N2N1)C 1 -0.171 3 1 0 -6.51601786476496 736198 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O 1 3.804 1 4 -4.34115741616896 736191 CC1=NN(C(=C1)NC(=O)NC2=CC=CC=C2)C3=CC=CC=C3 1 3.156 4 1 -6.8540830943959 736186 COC1=C(C=C(C=C1)/C=C/C(=O)O)O 1 1.669 0 4 0 3.05510353689404 736185 CC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=CC=C2 1 3.381 0 3 -1.60166682105932 736171 CC1=CC(=O)N(N1)C2=CC=CC=C2Cl 1 1.677 2 1 0 -1.21950572305718 736143 C1=CC=C(C=C1)/C=C/S(=O)(=O)C2=CC=CC=C2 1 2.874 0 2 -0.795721293754433 736140 C1=CC2=C(C(=C1)C(F)(F)F)NC(=CC2=O)C(F)(F)F 1 3.327 1 1 -0.162723268672239 736122 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N(CC3=CC=CC=C3)C(C)C 1 4.1 2 2 -7.18611836288233 736116 CN(CCC1=CC=CC=N1)C(=O)NC2=CC=C(C=C2)F 1 2.253 3 1 -3.73837839712492 736110 C1CC(=O)N(C1)C2=CC=C(C=C2)Br 1 2.16 1 1 -8.81403364063131 736092 CC(=O)NC1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)Cl 1 2.307 3 2 -2.85207861398308 736077 CC1=C2C(=C(S1)N)C(=O)N(N=C2C(=O)OC)C3=CC=C(C=C3)OC 1 1.786 3 4 0 -4.30684899990626 736076 CCC1=C(N=NC2=CC(=NN21)C)C(=O)OC 1 1.151 4 2 0 -9.76976037518768 736074 CC1=NN2C(=CC=NC2=C1)C3=CN=CC=C3 1 1.182 4 0 0 -2.71314420953211 736073 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 3.089 2 2 -4.09150101949098 736044 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.088 2 5 0 -12.0122740828139 736016 C1CC1C2=NN=C(S2)NC(=O)C3=CC=CS3 1 2.06 3 1 -9.31700712737137 736015 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCCC(=O)O 1 1.146 2 5 0 -14.3667012982261 735999 CCOC(=O)CC1=CSC(=N1)NC(=O)NC2=CC(=CC=C2)Cl 1 2.852 3 3 -6.06291686460823 735993 CN(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N 1 2.696 3 1 10.8387525937257 735963 CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)N 1 3.476 2 1 14.0277678563756 735962 CC(=O)CSC1=NC=NC2=C1C3=C(S2)CCCC3 1 3.158 2 1 -14.9464800202496 735961 CC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 1 2.597 1 2 -7.21750865152211 735950 CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.912 3 1 -5.32397858952974 735943 CCC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)N 1 3.476 2 1 13.3306678863938 735938 CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2)N 1 3.312 2 2 -6.1258467398839 735928 C1=CC=C2C(=C1)C(=O)C(=C(O2)N)C=O 1 0.78 1 3 0 9.67437313657571e-002 735923 C1=CC=C(C(=C1)/C=C/C(=O)O)[N+](=O)[O-] 1 1.821 1 4 0 -5.18537367422302e-002 735919 C1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=CC=C2 1 3.274 3 1 -7.47979623816613 735918 CC1=C(N2C=CC=CC2=N1)C(=O)NN=CC3=CC=CC=C3Cl 1 2.799 4 1 -3.53051580304357 735916 CC1=C(N2C=CC=CC2=N1)C(=O)NN=CC3=CC=CC=C3 1 2.134 4 1 -5.46101243052265 735915 CCOC(=O)C1CCN(CC1)C(=O)NC2=CC(=CC=C2)Cl 1 2.492 2 3 -5.82865596464787 735913 CC(C)(C)C1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)F)F 1 3.618 3 2 -9.38217391737139 735899 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.531 1 4 -15.1124826313124 735896 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC=CO3 1 1.859 2 3 0 -5.68058714220375 735892 C1CN(CCC12OCCO2)S(=O)(=O)C3=CC=CS3 1 0.798 1 4 0 -14.9109185196661 735891 C1CN(CCC12OCCO2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.217 1 4 0 -15.8076314280957 735890 C1CN(CCC12OCCO2)S(=O)(=O)C3=CC=CC=C3 1 1.011 1 4 0 -17.4155180927971 735886 C1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.397 2 2 -1.4589774574453 735875 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4 1 2.946 2 4 -12.6590570397858 735874 CC1=NN2C(=CC=NC2=C1)C3=CC=CO3 1 1.727 3 1 0 -0.933575412064912 735851 C1OC2=C(O1)C=C(C=C2)NC(=O)CCl 1 1.251 1 3 0 -7.51064174448912 735834 C1=CC(=CC=C1OCC(=O)NN)F 1 0.381 2 2 0 -2.87285190530598 735822 CCOC(=O)C1CCN(CC1)C(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 2.466 2 4 -11.6157409866338 735817 CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=O 1 3.726 1 3 -2.99560677212883 735816 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.17 3 2 -11.3360407338181 735815 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.451 3 2 -12.0479177592833 735809 C1CN(CCN1C2=CC=CC=N2)C(=O)NC3=CC=CC=C3 1 2.17 4 1 -2.56937146242585 735789 COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)O 1 2.417 0 4 3.23699992734221 735788 C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CCC(=O)O 1 2.355 1 4 -10.612321609963 735786 C1=CC(=CC=C1/C=C/C(=O)O)C#N 1 1.806 1 2 0 -1.81466011185 735783 C1CN(CCN1C2=CC=CC=N2)C(=O)CCC(=O)O 1 0.442 3 3 0 -8.37155509397589 735756 C1COCCN1C2=CC=CC=C2N 1 0.933 2 1 0 -1.46831462671238 735755 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O 1 1.878 0 5 0 -2.70302402159365 735751 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3 1 1.615 4 2 0 -13.3599420134251 735749 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)F 1 3.192 3 1 -1.24704835494525 735748 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3 1 2.987 3 1 -0.577383551101048 735687 CC1=CC(=C(C=C1)C)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3 1 3.655 4 1 -0.773482952667136 735686 C1=COC(=C1)C2=NC(=NN2)SCC(=O)N 1 0.827 4 2 0 -3.2009872241774 735685 CCOC(=O)CSC1=NNC(=N1)C2=CC=CO2 1 2.029 3 3 -6.36819603236492 735682 C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CO3 1 3.556 3 1 -1.08940909615515 735678 CCC1=NC(=NN1)SCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.058 4 2 -7.02180528325947 735674 CCC1=NC(=NN1)SCC(=O)C2=C(C=CC(=C2)C)C 1 3.808 3 1 -3.94964469103952 735672 CCC1=NC(=NN1)SCC(=O)C2=CC(=C(C=C2)C)C 1 3.808 3 1 -3.75161847470907 735667 CC1=NC(=NN1)SCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.391 4 2 -6.76873179164332 735665 CC1=CC(=C(C=C1)C)C(=O)CSC2=NNC(=N2)C 1 3.141 3 1 -3.88486779375717 735660 C1COCCN1C(=O)N2C3=CC=CC=C3N=N2 1 1.314 4 2 0 -5.92228371357815 735659 C1COCCN1C(=O)NC2=CC(=CC=C2)OC(=O)N3CCOCC3 1 0.497 3 5 0 -9.20775935149637 735658 C1COCCN1C(=O)NC2=CC=CC=C2OC(=O)N3CCOCC3 1 0.497 3 5 0 -10.4682158113042 735657 CCN(CC)C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C 1 0.942 4 2 0 -14.7793217596874 735653 CCN(CC)C(=O)OC1=C(C2=CC=CC=C2C=C1)Br 1 4.153 1 2 -1.69242668759903 735650 CCN(CC)C(=O)N1C2=CC=CC=C2N=C1CC3=CC=CC=C3 1 4.194 3 1 -2.0068900546677 735647 CC1=NC2=CC=CC=C2N1C(=O)N(C)C 1 1.798 3 1 0 3.50879345786112 735642 C1COCCN1CC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 1.973 2 2 0 -5.08975433668032 735635 CC(=O)NC1=CC=CC=C1OC(=O)N2CCOCC2 1 0.607 2 4 0 -11.2851852055374 735634 COC1=CC=CC(=C1)OC(=O)N2CCOCC2 1 1.47 1 4 0 -6.32051539835803 735632 C1COCCN1C(=O)NC2=CC(=CC=C2)O 1 0.597 2 3 0 -4.43911758190649 735628 C1COCCN1C(=O)NC2=NC3=CC=CC=C3S2 1 1.465 3 2 0 -3.92449546630572 735622 C1COCCN1C(=O)OC2=CC(=CC=C2)Cl 1 2.151 1 3 -3.96403804396809 735621 CC1=CC=C(C=C1)OC(=O)N2CCOCC2 1 1.973 1 3 0 -5.1420412536664 735617 CCN(CC)C(=O)OC1=CC=CC=C1NC(=O)C 1 1.617 2 3 0 -10.5005723208801 735614 CCN(CC)C(=O)OC1=CC=C(C=C1)NC(=O)C 1 1.617 2 3 0 -10.0138154186727 735612 CC(=O)NC1=CC=C(C=C1)NC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3 1 3.425 3 2 -5.2860096573302 735609 CCN(CC)C(=O)NC1=CC=C(C=C1)Br 1 2.598 2 1 -4.23615546505832 735606 COC1=CC=C(C=C1)/C=C/C2=CC=NC=C2 1 2.649 1 1 2.34992654842596 735598 CC1=C(C=NC2=CC3=C(C=C12)OCO3)C4=NN=NN4C5=CC=C(C=C5)F 1 3.288 5 2 0 -3.421688591404 735591 CC1=CC=C(C=C1)N2C(=NN=N2)C3=C(ON=C3)C4=CC(=CC=C4)F 1 3.597 5 1 -6.72544736642329e-002 735580 C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)O 1 3.029 3 2 1.86394396131959 735547 CC1=CC(=NC(=N1)NCCC(=O)O)C 1 0.203 3 2 0 -6.84116092816558 735513 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)F 1 3.476 2 0 4.63508806906889 735496 CN1C(=O)C2=C(N=C1SC)SC3=C2CCCC3 1 3.406 2 1 -15.2680044396909 735495 COC1=C(C(=CC(=C1)C=NO)Br)OC 1 2.372 1 3 2.04401538586408 735460 C1=CC=C(C=C1)COC2=C(C3=CC=CC=C3C=C2)C=O 1 4.064 0 2 3.64936406943362 735450 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSCC3=CC=C(C=C3)Cl 1 3.454 1 3 -13.0651112081526 735344 CC1=C(SC(=N1)N)C(=O)OCC(C)C 1 1.701 2 2 0 -5.50761160121995 735319 C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)F 1 2.722 2 0 2.06411073987479 735256 C1=CC=C(C=C1)CNC(=O)CC(=O)NCC2=CC=CC=C2 1 1.929 2 2 0 -8.53454172707677 735254 C1=CC=C(C=C1)C2=NNC(=S)O2 1 2.543 2 1 -4.02768431538698 735216 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O 1 2.73 1 3 -5.68354063306983 735205 C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCC(=O)O 1 2.037 3 2 -4.51610114910927 735199 C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCC3=CN=CC=C3 1 2.74 4 0 -2.0884877642337 735180 COC1=CC=CC=C1OCC(=O)NC2=NC3=C(S2)CCCC3 1 2.821 2 3 -11.6775174230139 735173 C1CCC(=CC1)CCNC(=O)C2=NSN=C2 1 2.156 3 1 -13.5581400937652 735156 C1=CC2=C(N=C1)N=C(C=C2)C(=O)O 1 1.119 2 2 0 -3.97544337207688 735150 C1=CN=C(C=C1Br)C(=O)O 1 1.486 1 2 0 -2.54756858554573 735132 CC1=NN(C(=C1)N)C2=CC=CC=N2 1 1.105 4 0 0 -1.40505312418462 735118 C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NNC(=N3)N 1 1.128 5 2 0 -4.37341067650671 735115 COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(=O)O 1 2.289 0 6 -3.18770158915083 735111 C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CO3)OCC(=O)O 1 1.701 0 6 0 -1.26367746727111 735110 CCN(CC)C(=O)COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CO3 1 2.478 1 5 -7.49872462074956 735097 C1=CC=C(C(=C1)CSC2=NN=C(S2)N)F 1 2.429 3 0 -8.55087995116392 735091 C1CCC2=C(C1)C=CC(=C2)C3=CSC(=N3)N 1 3.54 2 0 4.77983667345695 735090 CCC(CC)C1=NN=C(S1)NC(=O)OC2=CC=CC=C2 1 3.946 3 2 -8.32483943881708 735089 C1CCC2=C(C1)N=C(S2)NC(=O)OC3=CC=CC=C3 1 3.557 2 2 -5.04230080146657 735087 CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)OC3=CC=CC=C3 1 5.056 2 2 2.57560101723283 735086 COC1=CC=CC(=C1)C2=CSC(=N2)NC(=O)OC3=CC=CC=C3 1 4.097 2 3 4.39404299635192 735061 C1=CN=CC=C1CCNC(=O)C(F)(F)F 1 1.216 2 1 0 -5.59571259739807 735048 CC(=O)NC1=NC(=CS1)C2=CC(=CC=C2)OC 1 1.878 2 2 0 3.35708174318045 735034 C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(=O)O 1 2.305 0 5 -3.48870774196934 735033 C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(=O)N 1 1.678 1 4 0 -2.47279541497229 735026 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)N 1 1.265 2 3 0 -4.18862289437414 735018 CC1=CC2=C(S1)N=CNC2=O 1 0.682 2 1 0 -2.86970146019271 735016 CC1=C(SC2=C1C(=O)NC=N2)C(=O)OC3CCCCC3 1 3.028 2 3 -14.4591924730439 735015 CC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=CNC3=O)C 1 2.585 3 2 -13.5660608330881 735006 CC1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)N)C 1 0.957 4 3 0 -21.9207138642039 734995 COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N3CCOCC3 1 0.647 5 3 0 -14.7238427945605 734990 COC1=CC=C(C=C1)C2=NN=C(N2N)SCCC3=CC=CC=C3 1 3.598 4 1 -2.77498091343626 734984 CSC1=NN=C(N1N)C2=CC=CC=C2Cl 1 2.375 4 0 -2.74672895219284 734982 C1CCCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=NC=C3 1 1.199 6 1 0 -13.3997735610831 734981 CC1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=NC=C3 1 2.629 5 0 -6.59375811096602 734979 CCCN(CCC)C(=O)CSC1=NN=C(N1N)C2=CC=CC=C2 1 2.721 5 1 -16.6744434612368 734975 CCOC(=O)COC1=C(C=C2C(=CC(=O)OC2=C1)C)[N+](=O)[O-] 1 2.28 1 7 0 -13.1539323624275 734939 C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC=CC=C4 1 4.272 0 4 -3.67984583994053 734792 CC(C)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCOCC3 1 2.41 2 3 -4.48814443265349 734787 CCCC1=CC(=O)N=C(N1)NC2=CC(=C(C=C2)OC)Cl 1 2.967 3 2 -5.84202432950479 734786 CCCC1=CC(=O)N=C(N1)NC2=CC=C(C=C2)O 1 2.077 3 2 -3.52007661248196 734785 CCCC1=CC(=O)N=C(N1)NCC2=CC=C(C=C2)Cl 1 2.99 3 1 -4.48367517622865 734783 CCCC1=CC(=O)N=C(N1)NC2=C(C=CC(=C2)OC)OC 1 2.286 3 3 -7.20113043831189 734782 CC1=CC(=O)N=C(N1)NC2=CC(=CC=C2)F 1 1.544 3 1 0 -5.18637356094129 734780 CC1=CC(=O)N=C(N1)NC2=C(C=CC(=C2)Cl)OC 1 1.987 3 2 0 -6.89117915523172 734779 CC1=CC(=O)N=C(N1)NC2=CC=C(C=C2)N(C)C 1 1.501 4 1 0 -10.031406856717 734778 CC1=CC(=O)N=C(N1)N2CCCNCC2 1 -0.548 4 1 0 -14.3877253647363 734776 CC1=CC(=O)N=C(N1)NCC2=CC=C(C=C2)Cl 1 2.01 3 1 -6.45384493071187 734775 CC1=CC(=O)N=C(N1)NC2=CC=C(C=C2)C(=O)OC(C)C 1 1.92 3 3 0 -14.7730676500695 734774 CC1=CC(=O)N=C(N1)NC2=CC(=CC=C2)Br 1 2.087 3 1 -5.5186626880864 734773 CC1=CC(=O)N=C(N1)NC2=CC=C(C=C2)Cl 1 2.003 3 1 -5.54812178751751 734760 CC1=CC(=C(C=C1)OC)NC2=NC(=O)C(=NN2)C 1 1.392 4 2 0 -7.61551318761438 734753 CC1=NNC(=NC1=O)N2CCC3=CC=CC=C3C2 1 1.21 4 1 0 -9.93869136303473 734752 CC1=NNC(=NC1=O)NC2=CC=C(C=C2)O 1 0.68 4 2 0 -4.01123651277776 734751 CC1=NNC(=NC1=O)N2CCN(CC2)CC3=CC=CC=C3 1 1.093 5 1 0 -4.99590132657599 734746 CC1=NNC(=NC1=O)NCCN2CCOCC2 1 -0.828 5 2 0 -10.3621317962933 734745 CC1=NNC(=NC1=O)N2CCN(CC2)C3=CC=CC=C3 1 1.181 5 1 0 -5.90160026602122 734741 CC1=NC(=NN1)SCC2=CC(=C(C=C2)Cl)Cl 1 3.825 3 0 -2.94155858411884 734738 C1=CC=C(C=C1)CCSC2=NC(=O)C=NN2 1 2.378 3 1 -9.12299304666512 734737 CC1=CC(=CC=C1)CSC2=NC(=O)C=NN2 1 2.543 3 1 -10.6538771727476 734627 C/C=C/C1=CC(=C(C=C1)OCC(=O)O)OC 1 2.232 0 4 -9.44043522876224 734622 CCOC(=O)COC1=C(C=C(C=C1)/C=C/C)OC 1 2.807 0 4 -11.5324192648128 734614 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC=CS3 1 2.418 2 2 -7.21438916473564 734582 CC(C)C(=O)NC1=NN=C(S1)COC 1 0.551 3 2 0 -12.7726844071972 734580 CC1=C(SC(=N1)NC(=O)C(C)C)C(=O)C 1 1.39 2 2 0 -9.88479432910706 734569 C1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3O2 1 3.857 0 3 -0.523960484314332 734564 COCC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3O2 1 1.68 3 3 0 -5.7893358721585 734562 CC1=C(SC(=N1)NC(=O)C2=CC3=CC=CC=C3O2)C 1 2.635 2 2 -0.195646151500488 734560 CCOC1=CC=CC=C1OC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.624 0 5 -12.2082829757939 734555 CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CC(C)(C)C 1 3.422 2 2 -12.0599635660972 734554 CC(C)(C)CC(=O)NC(=S)NC1=CC=CC=C1C(F)(F)F 1 4.625 2 1 -9.4994533049972 734553 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)CC(C)(C)C 1 4.063 3 3 -12.2047030105354 734541 C1COC2=C(O1)C=CC(=C2)NC(=S)NC(=O)C3=CC=CO3 1 2.947 2 4 -12.2270413229024 734497 CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N 1 1.404 3 3 0 -12.8345838156884 734496 C1=CC(=CC(=C1)Cl)N2C(=C(C=N2)C#N)N 1 1.977 4 0 0 2.04140198570671 734495 CC1=CC(=NC(=N1)OC2=CC=C(C=C2)Br)C 1 3.446 2 1 -0.404749883755218 734494 CC1=CC(=NC(=N1)OC2=CC=C(C=C2)NC(=O)C)C 1 1.818 3 2 0 -6.26072862653844 734492 CC1=CC(=NC(=N1)NC2=CC=C(C=C2)N3CCCC3)C 1 2.673 4 0 -0.503011569753199 734491 CC1=CC(=NC(=N1)NC2=CC=C(C=C2)N3CCOCC3)C 1 1.9 4 1 0 -2.44656620663405 734484 CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C(=O)C)C 1 1.79 3 1 0 -6.39154789063568 734481 CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C)C 1 1.17 4 1 0 -6.34523604718805 734473 CC1=CC(=NC(=N1)NC2=CC=C(C=C2)F)C 1 2.255 3 0 -0.64631202985377 734458 CCOC(=O)C1=CC=C(C=C1)NC2=NC(=CC(=N2)C)C 1 2.254 3 2 -7.09927226839608 734457 CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C(=O)OC)C 1 1.905 3 2 0 -5.76204212521108 734456 CCOC(=O)C1=CC(=CC=C1)NC2=NC(=CC(=N2)C)C 1 2.254 3 2 -7.66244054356991 734447 C1=CC(=CC=C1CNC2=C(C(=O)NN=C2)Cl)Cl 1 1.546 3 1 0 -5.51067132617404 734445 C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)NN=C3)Cl 1 1.375 4 1 0 -3.83450049131256 734444 CCN1CCN(CC1)C2=C(C(=O)NN=C2)Cl 1 0.141 4 1 0 -6.59252173708821 734424 CC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O 1 1.218 1 4 0 -9.45991336025706 734408 C1=CC(=CN=C1)CNC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.708 3 1 -5.39584812783294 734407 CN(C)CCNC(=O)NC1=CC(=C(C=C1)Cl)Cl 1 2.413 3 1 -2.47019479164103 734395 COCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC 1 0.564 2 5 0 -9.95305447168407 734393 CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)Cl 1 2.927 2 2 -3.3768434080265 734388 COC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.707 2 3 -4.7493192023373 734382 CC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C)C)N 1 3.324 3 1 -4.87592077717093 734380 CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC=CC=C3Cl)N)C 1 3.503 3 1 -4.59665011663354 734378 C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3 1 1.626 2 2 0 -12.6227623327204 734363 CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC 1 2.565 1 2 -10.5735527282045 734358 CCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N)C 1 1.395 3 2 0 -12.2830626923887 734355 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OC(C)C)C(=O)N 1 0.956 3 4 0 -17.3557092368042 734344 CCOC1=CC=CC=C1NC(=O)CSCC(=O)NC2=CC=CC=C2 1 2.4 2 3 -11.8729992539741 734342 COC(=O)C1=CC=C(C=C1)CSCC(=O)NC2=CC=CC=C2 1 2.87 1 3 -12.1419232618033 734307 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC(=CC=C3)Cl)NCC4=CN=CC=C4 1 3.98 4 0 8.99143936561706 734300 C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 2.396 1 4 -6.94098633605443 734299 C1CC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CC=C(C=C3)F 1 3.119 2 3 -21.5700027666253 734297 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)COC(=O)C2=CC=CS2 1 3.217 1 3 -11.2030300422001 734291 C1=CC(=CN=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)Cl 1 2.038 1 4 -7.75149879895712 734284 CC1=CC(=CC=C1)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC 1 3.763 4 1 -5.75775221307184 734276 CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)N 1 2.576 1 3 1.17257727711998 734190 COC1=CC=CC=C1/C=C/C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.851 1 4 -8.79099007053134 734131 CCCC1=CC=C(C=C1)OC(=O)C2=CC=CS2 1 4.614 0 2 -4.89480396066413 734129 CC1=C(SC(=N1)NC(=O)C2=CC=CS2)C(=O)C 1 1.879 2 2 0 -8.75169945214988 734115 CCOC1=CC=CC=C1OC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.478 1 5 -10.0378319673236 734108 COCC1=NN=C(S1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 0.218 4 4 0 -15.6101599256351 734097 CC1=C(N=C(S1)NC(=O)COC)C2=CC=CC=C2 1 1.776 2 2 0 -6.18435522537993 734093 COCC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.149 2 2 0.35498727788155 734088 CCC1=CC(=C(S1)NC(=O)CC2=CC=CC=C2)C(=O)OCC 1 3.452 1 3 -12.752120451795 734077 CCCC(=O)NC1=NN=C(S1)COC 1 0.544 3 2 0 -16.0522608321875 734076 CCCC(=O)NC1=NC(=C(S1)C(=O)C)C 1 1.384 2 2 0 -13.1643707540974 734045 COC1=CC=C(C=C1)NC(=O)CSC2CCCCC2 1 3.273 1 2 -6.87133233579093 734036 C1COCCN1C2=C(C(=O)N(C2=O)C3=CC=CC=C3F)Cl 1 1.421 2 3 0 -3.17102250676114 734035 CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCOCC3 1 1.548 2 4 0 -5.95079349015729 734033 C1CCN(C1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3F)Cl 1 2.194 2 2 -1.22746786988029 734032 C1CCN(C1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)F)Cl 1 2.194 2 2 -2.11617246695902 734031 COC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CCCC3 1 1.972 2 3 0 -4.18780403758285 734026 CCN1CCN(CC1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl 1 1.841 3 2 0 2.73686977040761 733987 CC1=C(C=C(C=C1)OCC(=O)C2=C(OC3=CC=CC=C3C2=O)O)C 1 3.989 0 5 -0.203955942588096 733986 CCOC1=CC=C(C=C1)OCC(=O)C2=C(OC3=CC=CC=C3C2=O)O 1 3.35 0 6 -1.19900548494267 733985 CCC1=CC=C(C=C1)OCC(=O)C2=C(OC3=CC=CC=C3C2=O)O 1 3.959 0 5 -0.257482093201473 733984 COC1=CC=C(C=C1)OCC(=O)C2=C(OC3=CC=CC=C3C2=O)O 1 3.001 0 6 -0.576286737766089 733982 C1CCCC(CC1)NC2=NS(=O)(=O)C3=CC=CC=C32 1 2.934 2 2 -5.91690279540558 733980 C1COCCN1C2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43 1 2.046 3 3 -3.98351722973447 733940 CC1=C(C=C(C=C1)C2=C(SC3=C2C(=O)NC=N3)C)C 1 3.173 2 1 -2.99565206127173 733925 C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC(=CC=C2)Br 1 3.077 1 3 -10.5534168865244 733899 CC1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C(=O)C)C 1 2.411 2 2 -8.31204642213859 733883 CC1=C(SC(=N1)NC(=O)C(C)(C)C)C(=O)C 1 1.807 2 2 0 -13.4499378904496 733870 CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)Cl)C(=O)C 1 2.59 2 2 -6.30175113721797 733834 CC1=C(SC(=N1)NC(=O)CCC2=CC=CC=C2)C 1 2.53 2 1 -8.51525473849316 733831 CCOC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC=CO3)OC1=O 1 2.891 0 7 0 -12.9261161176592 733793 CC1=C(SC(=N1)NC(=O)C=C(C)C)C(=O)C 1 1.807 2 2 0 -5.67362758387566 733830 CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CO3 1 4.414 1 4 -9.58414641876537 733822 CCOC1=CC=CC=C1OC(=O)C2=CC=CO2 1 2.989 0 4 -6.86821181396814 733820 CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CO3)C 1 3.926 2 2 2.95134031163828 733806 CC(=CC(=O)NC1=CC=CC=C1Br)C 1 3.245 1 1 -3.39414254963076 733782 CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)C 1 3.326 2 2 -5.54561567869349 733781 CCCC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.067 3 2 -5.60722817452515 733747 CC1=CC(=CC(=C1)CSC2=NC(=O)C(=NN2)C)C 1 3.107 3 1 -10.9874008395654 733738 COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)NC=N3)OC 1 2.022 2 3 -2.76288932057643 733733 CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC=N3)C 1 2.533 2 2 -4.46848522105191 733723 CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)NC3CCCCC3 1 2.473 3 2 -16.0010606906137 733713 CCC1=CC2=C(S1)N=CN(C2=O)CC(C)C 1 2.747 2 1 -7.20120998429713 733687 CCCN1C=NC2=C(C1=O)C=C(S2)CC 1 2.427 2 1 -6.78430188285415 733672 C1CCC2=C(C1)C3=C(S2)N=NN(C3=O)CC4=CC=C(C=C4)C(=O)O 1 4.215 3 3 -19.9640477686979 733624 CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=N2 1 2.763 4 1 -12.016346591093 733623 C1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3N=N2 1 2.284 4 1 -19.3885009268795 733622 C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)F 1 3.429 3 0 -5.20146037312227 733621 C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=N2 1 3.545 3 0 -7.6662896696363 733618 CCC1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C(=O)O 1 3.587 1 3 -11.5215581886839 733615 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2CCCCC2 1 2.835 2 2 -12.1336556567023 733613 CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCOCC2 1 0.871 2 3 0 -13.7978289483215 733610 CC1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)F 1 3.706 1 1 -8.18821533259266 733592 C1=CC(=CC=C1CSCC(=O)NC2=CC=C(C=C2)F)F 1 3.426 1 1 -9.01453427481021 733576 CC1=C(SC2=C1C(=O)NC=N2)C(=O)OC(C)C 1 1.896 2 3 0 -14.5771541403654 733566 CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)O)C 1 3.591 3 1 2.96232387280372 733562 C1=CC=C(C(=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)C(=O)O 1 3.43 0 4 -0.19323828847095 733522 CC1=CC(=C(C=C1)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)C 1 2.372 1 5 -8.67345509010758 733521 CC1=CC(=C(C=C1)OC(=O)C2=CN=CC=C2)C(=O)C 1 2.337 1 3 -9.3505827162564 733520 CC1=CC(=C(C=C1)OC(=O)C2=CC=NC=C2)C(=O)C 1 2.337 1 3 -7.72149390827668 733473 CCOC1=CC=CC=C1OCC(=O)OC2=CC(=C(C=C2)C)C 1 4.402 0 4 -8.60719333277183 733441 CC1=C(C=C(C=C1)OCC(=O)NC2=NC(=C(S2)C(=O)C)C)C 1 2.733 2 3 -8.7103617798236 733432 CC1=C(SC(=N1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C 1 1.655 3 5 0 -10.4305509876813 733413 C1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C3=CC=CC=C3Cl 1 4.5 2 0 -0.17064789973574 733362 CCOC(=O)COC1=CC=C(C=C1)C(=O)NC2=C(C(=CC=C2)Cl)C 1 3.804 1 4 -10.1543455809056 733309 COCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2 1 0.563 3 4 0 -8.98581843099054 733305 COCC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.525 3 4 0 -3.2610845353361 733298 CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)COC)C 1 2.262 2 2 -5.89813540339853 733295 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)COC 1 2.487 1 4 -7.6135445129026 733289 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC 1 1.309 1 4 0 -14.7984336048516 733286 COCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC 1 1.711 1 4 0 -17.7804628619278 733285 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)COC 1 1.195 1 5 0 -15.8425671287582 733262 CC1=CC(=C(C(=C1)C)NC2=NS(=O)(=O)C3=CC=CC=C32)C 1 3.655 2 2 -3.87940054146382 733258 CC1=CC=C(C=C1)CSCC(=O)NC2=CC=C(C=C2)F 1 3.706 1 1 -8.18821533259266 733232 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC=CS3 1 4.086 1 1 -7.15248108588007e-003 733168 CC(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)F 1 3.499 2 1 -5.81441969785992 733165 C1CCC2=C(C1)C3=C(S2)N=C4CCCN4C3=O 1 2.46 2 1 -16.3386533413375 733158 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCC3=CC=CC=C3)C 1 2.339 3 2 -19.4346042686333 733150 CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C)C 1 2.752 4 2 -7.62777564913825 733110 COC1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C3=CC=CC=C3 1 3.819 2 1 -1.62309365043516 733092 C1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br 1 2.618 3 1 -4.68695843037028 733090 C1COCCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br 1 1.389 3 2 0 -6.27604455308305 733062 CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)NC2=CC=CC=C2 1 2.155 2 4 -10.5023832043819 733060 C1=CC(=CC=C1NC(=O)CCCC(=O)O)S(=O)(=O)N 1 -4.3e-002 2 5 0 -17.9810775976209 733023 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 1.213 2 5 0 -8.20111947596425 732795 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CO3 1 1.784 1 4 0 -8.44231379792559 732764 COC1=CC(=C(C=C1)/C=C/C(=O)N2CCCC3=CC=CC=C32)OC 1 3.786 1 3 -3.67818064733868 732685 CC1=CC(=NC2=C(C(=NN12)C(F)(F)F)C3=CC=CC=C3)C 1 3.557 3 0 -1.61886449865296 732624 CCOC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(F)(F)F 1 3.724 1 3 -6.40812514406393 732623 CCOC1=CC=C(C=C1)OCC(=O)NCCC2=NC3=CC=CC=C3N2 1 2.746 3 3 -9.61556192154091 732622 CCOC1=CC=C(C=C1)OCC(=O)NC2=NC=CS2 1 1.779 2 3 0 -7.44117545439242 732610 CCOC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)OC 1 2.766 1 4 -6.10488225784291 732607 CCOC1=CC=C(C=C1)OCC(=O)N2CCOCC2 1 1.099 1 4 0 -9.01353640577273 732568 C1=CC=C(C=C1)CCNC(=O)/C=C/C2=C(C=CC=C2Cl)Cl 1 4.739 1 1 -7.4761716965601 732566 C1=CC(=C(C(=C1)Cl)/C=C/C(=O)NCC2=CC=CO2)Cl 1 3.599 1 2 -8.34677085083447 732564 C1=CC=C(C=C1)CNC(=O)/C=C/C2=C(C=CC=C2Cl)Cl 1 4.418 1 1 -7.00809908107152 732562 C1=CC=C(C(=C1)C(=O)N)NC(=O)/C=C/C2=C(C=CC=C2Cl)Cl 1 3.413 2 2 -7.3057098205658 732495 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.694 2 1 -4.33957798652072 732499 CC(=O)NC1=CC=C(C=C1)N2CCCCC2 1 2.029 2 1 -3.26185902444692 732500 CCC(=O)NC1=CC=C(C=C1)N2CCCCC2 1 2.696 2 1 -3.19545848068885 732502 C1COCCN1C(=S)C2=CC=C(O2)C3=CC(=CC=C3)Cl 1 4.224 1 2 3.46957291681446 732503 C1COCCN1C(=S)C2=CC=C(O2)C3=CC=CC=C3Cl 1 4.224 1 2 1.43140787435483 732505 CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 3.142 4 3 0 -10.8134745872976 732509 CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.248 3 1 -8.23465630967415 732513 CC1=C(C(=NO1)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 1.435 3 4 0 -9.30325188124563 732542 CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2CCCCC2 1 4.21 1 3 -17.1588831787276 732540 C1COC2=C(O1)C=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3 1 2.868 1 3 -8.22128432178079 732537 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 2.589 1 4 -5.48576115840506 732534 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CO3 1 1.795 1 4 0 -7.54065771105263 732530 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.729 1 3 -4.48588443433499 732529 CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.886 1 3 -8.44651010923943 732526 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)Br 1 3.148 1 3 -8.08117116375405 732524 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl 1 3.064 1 3 -6.11343456931641 732523 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl 1 3.064 1 3 -6.62451141865262 732522 CC1=C(C=CC(=C1)OCC(=O)NC2=CC3=C(C=C2)OCCO3)Cl 1 3.386 1 4 -7.93603978064011 732520 CC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.722 1 4 -7.81554378389208 730507 COC1=CC=C(C=C1)C(=O)NC2=CC(=NC(=N2)OC)OC 1 2.386 3 4 0 -13.6496528980813 730504 CC1=C(SC(=N1)N)C(=O)NN=C/C(=C/C2=CC=CC=C2)/C 1 2.314 4 1 -4.55715879014456 730491 CC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC 1 2.372 1 3 -8.72843628815067 730483 C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)F 1 4.301 2 0 -7.01091931992665 730482 C1=CC=C(C=C1)CCC(=O)NNC(=S)NC2=CC=C(C=C2)F 1 3.97 3 1 -10.078558247614 730479 COC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)F 1 4.555 2 1 -3.00905870279232 730476 C1=CC=C(C=C1)CCC(=O)NNC(=O)C2=CC=CC=C2Cl 1 3.027 2 2 -12.4598906511569 730470 C1=CC=C(C=C1)NC(=O)CCC(=O)NN 1 -0.324 3 2 0 -6.34581516079793 730467 COC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C=C2)Cl 1 3.154 2 3 -4.14253384696149 730464 C1=CC=C(C=C1)NC(=O)NNC(=S)NC2=CC=CC=C2 1 3.182 4 1 -5.51989317046551 730453 C1=CC=C(C=C1)CCC(=O)NCC2=CC=CC=C2 1 3.112 1 1 -13.6761743672904 730430 CCN(CC)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)F 1 5.432 3 0 -7.55076473351944 730427 C1=CC=C2C(=C1)C(=O)C(=CC3=CC=CS3)C2=O 1 3.189 0 2 0.115717374348238 730421 C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)N 1 3.369 3 1 -8.72798935369281 730415 CC1=CC=CC=C1NC(=O)NC2=CC=CC=N2 1 2.397 3 1 -5.93902527217875 730411 C1CN(C2=CC=CC=C21)C(=S)NC3=CC=CC=C3 1 4.794 2 0 -11.1479782086835 730407 C1=CC=C(C=C1)CCC(=O)NNC(=O)C2=CC=C(C=C2)F 1 2.568 2 2 -10.1973560380915 730403 CC1=CC=CC=C1C(=O)NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.181 3 4 0 -15.9953307731071 730401 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)Br 1 3.106 2 2 -4.01683221920768 730392 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CC=C2C 1 2.844 2 2 -8.77486223361513 730356 COC1=CC=CC=C1OC(=O)NC2=CC=C(C=C2)Cl 1 3.818 1 3 -0.947948984895377 730347 C1=CC=C2C=C(C=CC2=C1)N3C(=O)C4=CC=CC=C4C=N3 1 3.544 2 1 0.378514111957345 730343 COC1=CC=C(C=C1)C(=O)NNC(=O)NC2=CC=C(C=C2)Cl 1 2.427 3 3 -3.8875184495169 730332 C1CCC(=CC1)CCNC(=O)C2=CC=C(C=C2)Cl 1 4.029 1 1 -7.87083348857226 730319 C1=CC=C2C(=C1)N3C(=NN=C3SCC(=O)C4=CC=CO4)S2 1 3.698 3 2 -8.39331911915162 730318 C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)C4=CC=CO4 1 4.227 2 2 -13.3299035615475 730303 CN(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)Cl 1 3.4 2 1 -0.725422186529125 730299 CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1 1 2.425 2 1 -4.77023617363897 730298 CC1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CCC3)C#N 1 2.717 3 1 -21.3701679349477 730293 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C(=N3)C(=O)OC)O 1 1.191 4 4 0 -9.06645899908027 730292 CCOC(=O)C1=NN(C=C1O)C2=CC=C(C=C2)F 1 2.652 2 3 3.20183693805079 730291 CCOC(=O)C1=NN(C=C1O)C2=CC(=C(C=C2)C)C 1 3.419 2 3 3.50846539101418 730290 CC(C)[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1 1 1.846 1 3 0 -17.0934525427045 730286 CCOC(=O)C1=NN(C=C1O)C2=CC=C(C=C2)Cl 1 3.111 2 3 4.31195860317235 730283 CCOC(=O)C1=NN(C=C1O)C2=CC=C(C=C2)C 1 2.933 2 3 2.48995991258554 730270 CC1=CC(=C(C(=C1C)S(=O)(=O)NCC(=O)O)C)C 1 2.167 1 4 -9.11917369503796 730269 C1=CC(=CC=C1F)S(=O)(=O)NCC(=O)O 1 0.428 1 4 0 -8.09552629580662 730268 C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.308 1 4 -4.77388413293981 730266 C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=CC=C(C=C2)F 1 2.465 1 2 8.91643650215473 730262 CC(=O)NC1=CC=C(C=C1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O 1 1.381 2 4 0 -6.89133576359602 730253 COC(=O)NNC(=O)CC1=CC=CC2=CC=CC=C21 1 1.793 2 3 0 -7.95523819530054 730240 CCOC1=C(C=C(C=C1)CC(=O)NC2=NC=CS2)OCC 1 2.311 2 3 -12.1464357852118 730227 CC1=CC=C(C=C1)NC2=C(C(=C(C(=N2)N)C#N)CC#N)C#N 1 2.718 6 0 -2.91147823787361 730225 C1=CC=C(C=C1)NC2=C(C(=C(C(=N2)N)C#N)CC#N)C#N 1 2.232 6 0 -3.06813237624695 730221 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)OC2=CC=C(C=C2)C 1 3.416 1 4 -12.7102514615309 730216 CCN(CC)C1=C(C(=C(C(=N1)N)C#N)CC#N)C#N 1 1.542 6 0 0 -6.98592666648055 730213 CCN(CC)C(=O)C1=CC(=C(C=C1)C)Br 1 3.176 1 1 -6.04466641487498 730205 CC1=CC=CC=C1OCC(=O)N2C(=CC(=N2)C)C 1 2.677 2 2 -8.06748599228714 730196 CC1=CC2=C(C=C1)N=C3CCCCCN3C2=O 1 2.689 2 1 -5.35465953720006 730195 CC1=CC2=C(C=C1)N=C3CCCN3C2=O 1 1.776 2 1 0 -5.49803273177906 730179 C1=CC=C(C=C1)NC(=O)NNC(=O)COC2=CC=CC3=CC=CC=C32 1 2.523 3 3 -7.60412108543823 730175 COC1=CC=CC=C1OCC(=O)NNC(=O)C2=CC=CS2 1 1.643 2 4 0 -14.4278791356878 730173 COC1=CC=CC=C1OCC(=O)NNC(=O)NC2=CC=CC=C2 1 1.598 3 4 0 -11.5622932501814 730167 CC1=C(C=CO1)C(=O)NNC(=O)C2=CC=CC=C2Br 1 1.869 2 3 0 -4.32430493132507 730164 CN(CC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)OC)Br 1 3.559 1 2 -4.91593892618607 730156 CN(CC1=CNC2=CC=CC=C21)C3CCCCC3 1 4.055 2 0 0.796325455824396 730153 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NNC(=O)NC2=CC=CC=C2 1 3.015 3 3 -4.93214081074066 730141 CC1=CC(=CC=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.699 0 5 -7.89321592953693 730135 C1CC1C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 3.258 2 1 -1.99504948951235 730128 C1CC(C1)C(=O)NCC2=CC=CC=C2 1 2.171 1 1 -7.23165107631555 730127 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)OC 1 2.25 2 3 -4.62779131299672 730121 CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=CO2)CC3=CC=CC=C3 1 3.129 2 3 -4.84428649994582 730110 C1CC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.512 2 4 0 -19.1454226848457 730108 C1CCC(CC1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 3.861 2 2 -4.20493613890627 730090 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CS3 1 3.998 2 1 -0.231538788282054 730081 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=O)C 1 2.221 2 2 -9.86955460879951 730079 COC1=CC=CC=C1OCC(=O)NNC(=O)NC2=CC=C(C=C2)Cl 1 2.263 3 4 0 -9.41522742420883 730073 C1COCCN1C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3 1 2.955 2 2 -8.33895628203092 730071 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3 1 4.185 2 1 -6.74987015931815 730037 C1=CC=C2C(=C1)C(=CN2)C(=O)CCC(=O)O 1 1.708 1 3 0 -3.92865764029847 730026 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CCCCC2 1 1.157 3 4 0 -10.6053892304938 730022 CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC=C(C=C2)NC(=O)C 1 2.204 2 4 -14.5757032662324 730013 CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)N 1 2.086 2 4 -15.4536203613865 730011 COC1=CC=CC=C1OCC(=O)NCCC2=CCCCC2 1 3.184 1 3 -15.0895051180745 730003 CC1=CC(=C(C=C1)OCC(=O)N2C(=CC(=N2)C)C)Br 1 3.426 2 2 -7.9219039381071 729992 CCCC(=O)NC1=CC=CC=C1NC(=O)CCC 1 2.316 2 2 -10.6742782483782 729975 C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C#N 1 2.528 2 1 -7.41345990997048 729974 CC1=CC=CC=C1OCC(=O)NC2=C(C(=CC=C2)Cl)C 1 4.086 1 2 -3.31857249616014 729973 CCCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)F 1 3.737 2 1 -10.7293544829642 729970 CCCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)Cl 1 4.195 2 1 -9.61923281784263 729967 CCN(CC)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C 1 3.796 2 2 -9.32035018985017 729966 CCCC1=CC(=O)N=C(N1)SCC2=CC=CC(=C2)C 1 4.017 2 1 -10.8494528268335 729964 CCCC1=CC(=O)N=C(N1)SCC2=CC=CC=C2Cl 1 4.195 2 1 -13.0892111830052 729963 CCCC1=CC(=O)N=C(N1)SCC2=CC=CC=C2 1 3.531 2 1 -12.256046413209 729956 C1CC2=C(C1)NC(=NC2=O)SCC3=CC=CC=C3Cl 1 3.814 2 1 -16.3455622735897 729955 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 2.227 2 3 -19.4000502576997 729950 CC1=CC=C(C=C1)OCC(=O)OC2=CC=CC(=C2)C 1 4.069 0 3 -4.36024605635145 729948 COC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)Cl 1 3.098 1 3 -6.42728455270913 729946 C1=CC=C(C=C1)CN2C(=O)[C@@H]([C@H](C2=O)O)O 1 -0.308 1 4 0 -1.40335142606288 729943 CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2 1 2.551 2 1 -14.810942073417 729936 CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=C(C=CC(=C2)OC)OC 1 3.051 1 5 -14.1923725261929 729935 C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NC(=O)C3=CC=CS3 1 4.235 3 1 -7.53753522169336 729930 CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC=CC(=C2)C(=O)C 1 2.823 1 4 -13.9567494526003 729926 C1=CC=C(C=C1)CC(=O)NNC(=O)C2=CC=C(O2)Br 1 1.869 2 3 0 -9.8847799305915 729922 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC3=CC=CC=C32 1 2.846 1 4 -13.6723417584003 729919 C1=CSC(=C1)C(=O)NNC(=O)C2=CC=C(O2)Br 1 1.788 2 3 0 -8.35745808890944 729908 COC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3O 1 2.588 2 4 -3.60232855973575 729906 C1=CC=C(C=C1)NC(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.108 3 2 -2.4899119911237 729887 C1CCC(=CC1)CCNC(=O)C2=CC=C(O2)Br 1 3.328 1 2 -10.8228045886783 729884 CC1=CC=C(C=C1)OC(=O)CCC(=O)N2CCC3=CC=CC=C32 1 3.364 1 3 -16.66328924973 729880 COC1=CC=CC(=C1)NC(=O)CCC(=O)NC2=CC(=CC=C2)OC 1 1.917 2 4 0 -6.34868572083892 729877 COC1=CC(=CC(=C1OC)OC)C(=O)NCCC2=CCCCC2 1 3.316 1 4 -13.6610410287209 729876 COC1=C(C=C(C=C1)C(=O)N2CCOCC2)Br 1 1.663 1 3 0 -6.94161883254488 729871 CC1=CC=C(C=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C 1 2.923 2 2 -6.29242490638244 729867 CC1=C(C=C(C=C1)NC(=O)CCC(=O)N2C(=CC(=N2)C)C)C 1 2.664 3 2 -13.2013108550651 729861 CC1=CC=CC=C1OCC(=O)NCCC2=CCCCC2 1 3.687 1 2 -11.1290425652136 729857 CC1=CC=CC(=C1)C(=O)NNC(=O)OC 1 1.336 2 3 0 -7.02807458785004 729856 CC(C)C1=NN=C(S1)NC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 2.208 4 4 0 -14.2914898437581 729841 CC(C)C1=NN=C(S1)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC 1 2.913 3 3 -13.6613778162871 729831 CCC1=NN=C(S1)NC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 1.746 4 4 0 -16.2707496678746 729813 CSC1=C(C(=CC(=N1)C2=CC=CO2)C(F)(F)F)C#N 1 3.923 2 1 -0.749105129913446 729801 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)O 1 3.136 1 2 2.95989462137995 729794 CC1=C(C(=C(N1C2=CC=C(C=C2)N)C)C(=O)C)C(=O)C 1 1.73 2 2 0 -1.84560921661964 729793 CC1=C(C(=C(N1CC2=CC=C(C=C2)Cl)C)C(=O)C)C(=O)C 1 3.148 1 2 -4.26539921237162 729789 CCCC1=C(C2=C(NN=C2OC1=O)C)C 1 2.833 2 2 -2.97475124449534 729749 CC(C)(C#C)NC(=O)C1=CC=CC=C1OC 1 2.796 1 2 -8.84469282243319 729713 CC(C)OC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)/C#N 1 4.801 2 2 -11.2612287061624 729709 CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NC3=CC=CC=C3O 1 3.178 3 2 -6.33789732809992 729707 CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.315 4 3 0 -11.684682722181 729693 C1COC2=C(SC=C2O1)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.296 1 3 0.331013441903484 729692 C1=CC(=C(C=C1F)F)NC(=O)NC2=C(C=C(C=C2)F)F 1 3.344 2 1 -3.78393609835514 729671 CCOC1=C(C=C(C=C1)CC2=NC(=NO2)C3=NON=C3N)OCC 1 1.87 5 4 0 -9.62064530550462 729657 C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)O 1 3.193 1 3 -4.85064626703926 729654 CC1=NC2=CC=CC=C2N=C(C1=NOCC3=CC=CC=C3Cl)C 1 3.846 3 1 0.19934002835998 729651 CC1(CC(CC(N1)(C)C)N2CN(CC2=O)C3CCCCC3)C 1 1.984 3 1 0 -10.4707189508675 729609 CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.272 2 3 -4.79133478084721 729606 CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 3.19 1 4 -6.7993650990157 729602 CC1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)Cl 1 1.921 4 1 0 -7.49967744673631 729595 CCOC1=CC=CC=C1OCC(=O)NC2=NN=C(S2)C 1 1.517 3 3 0 -14.91941464914 729588 CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C 1 5.2e-002 4 2 0 -11.8604026716291 729586 COC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)F 1 3.243 2 2 3.96631436813289 729581 CN(CC(=O)O)S(=O)(=O)C1=CC=C(C2=CC=CC=C21)OC 1 1.32 1 5 0 -7.98217632470598 729563 C1CCN(CC1)C2=NC(=NC(=N2)C#N)N3CCOCC3 1 0.657 6 1 0 -3.73189047211994 729558 CCOC1=NC(=NC(=N1)N2CCCCC2)C#N 1 1.759 5 1 0 -1.16369532360399 729555 CN(C1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.817 1 4 -6.02802308803712 729554 CCC(CC)C1=NC2=CC=CC=C2C(=N1)NCCC(=O)O 1 2.99 3 2 -6.06245061198273 729552 CCNS(=O)(=O)C1=C(C=CC(=C1)OC)OC 1 1.057 1 4 0 -7.4769578813282 729518 COC1=CC=C(C=C1)C=NNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.645 4 3 0 -10.5524605583018 729514 C1=CC=C(C=C1)C(=O)NNC(=O)CN2C=NC3=CC=CC=C3C2=O 1 0.849 4 3 0 -14.0972271383363 729512 COC(=O)CN1C=NC2=CC=CC=C2C1=O 1 0.663 2 3 0 -7.57381610282207 729510 C1=CC=C(C(=C1)OCC(=O)C2=C(C=C(C=C2)O)O)Br 1 3.333 0 4 3.83484901295945 729504 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CN=CC=C2 1 1.499 2 3 0 -4.12586291435398 729499 CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)O)C 1 1.93 2 3 0 -16.496505877418 729497 C1COCCN1C(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 0.984 3 3 0 -16.5574484529983 729495 C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(=O)O 1 1.512 2 3 0 -13.4797919627954 729494 CC(=O)NC1=NC=C(S1)CC2=C(C=C(C=C2)Cl)Cl 1 3.12 2 1 -2.87288440487815 729488 CN1C(=C(C(=O)N(C1=O)C)C(=O)CNC2CCCCC2)N 1 0.199 4 3 0 -10.3819140217541 729484 CSC1=CC=C(C=C1)C=NS(=O)(=O)C2=CC=CC=C2 1 3.543 1 2 -2.01668323943847 729481 C1CC1(C2=CC=CC=C2)NC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 1.587 3 3 0 -10.4595005238767 729460 COC(=O)CSC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)N 1 2.34 1 4 -7.79319857901833 729458 CC1=CC(=NC(=C1NC(=O)NC2=CC=CC=C2)C)C 1 2.423 3 1 -3.16974771421946 729455 C1CCC2(CC1)CC3=CC=CC=C3C(=N2)NCC(=O)O 1 2.569 2 2 -5.16684654478732 729426 C1CCN(CC1)C2=NC(=NC(=N2)COC3=CC=C(C=C3)F)N 1 2.361 5 1 -0.404038360850669 729424 C1CCC(C1)NC(=O)COC2=CC=CC=C2Br 1 3.023 1 2 -6.8470713998537 729410 CC1=C(C(=NC(=C1Cl)C)SC)C#N 1 3.072 2 0 -3.77948569235872 729401 CN(C1=CC=CC=C1)S(=O)(=O)C2=C3C=CC=NC3=C(C=C2)OC 1 2.693 2 3 -5.74758867998878 729387 C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=CS3 1 4.128 1 2 -5.96821622957023 729367 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)(C)C 1 4.297 1 3 -12.0318564104286 729365 CCC(=O)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OCC 1 3.417 1 3 -5.56666308767773 729359 C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)O 1 0.437 2 3 0 -8.57793343702881 729328 CC1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)N 1 3.356 2 0 2.615671918489 729326 CC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)NC2=S 1 3.561 5 1 -1.06536611311921 729300 CC1=CC2=C(C=C1)N=C(C=C2C)SCCC(=O)O 1 3.799 1 2 -3.32344753543678 729286 COC(=O)C1=CC=CC=C1NC(=O)COC2=CC3=C(C=C2)OCO3 1 2.073 1 6 0 -13.9334302539382 729285 C1OC2=C(O1)C=C(C=C2)OCC(=O)NC3=CC=CC=C3F 1 2.423 1 4 -8.15196613604729 729283 CN(C)/C=C\1/C(=NOC1=O)C2=CC=CC=C2 1 1.409 2 2 0 0.847586408703284 729276 CCOC(=O)C1=C(C2=C(S1)C=CC=C2Cl)N 1 3.105 1 2 -1.21158084102346 729274 C1CN(C2=CC=CC=C21)C(=O)COC3=CC4=C(C=C3)OCO4 1 2.498 1 4 -11.8974617188455 729273 C1C2CC3CC1CC(C2)(C3)CNC(=O)N 1 1.638 2 1 0 -3.49231577427922 729270 CC1=C(C=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCOCC3)Cl 1 2.366 2 3 -5.40781581587856 729253 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3 1 3.808 1 3 -6.44165737662715 729251 CCCC1=CC(=O)N=C(N1)SCC 1 2.296 2 1 -10.5247997935847 729243 C1=CC(=CC=C1C(=O)CCCC(=O)C2=CC=C(C=C2)F)F 1 4.056 0 2 -2.9110743137669 729242 CC1=CC(=CC(=C1)N2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3)C 1 2.785 4 2 -11.0221799486552 729239 CC1=C(C=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3)C 1 2.785 4 2 -10.9735107816267 729219 CC1=C(SC(=N1)N)C(=O)NN=CC2=CC(=C(C=C2)OC)OC 1 1.475 4 3 0 -7.33954614331107 729209 CC1(CC(CC(N1)(C)C)NCC2=CC=C(C=C2)N(C)C)C 1 2.269 3 0 -5.68358373797828 729197 CC1=C(SC(=N1)N)C(=O)NN=CC2=C(C(=CC=C2)OC)OC 1 1.475 4 3 0 -3.55832432696858 729175 CC1=CC=CC=C1NC2=NC(=O)C=C(N2)C 1 1.825 3 1 0 -8.23585167065079 729147 CC1=CC=C(O1)CCC(=O)NC2=CC=C(C=C2)C#N 1 2.103 2 2 -9.53389391917144 729145 CCOC1=C(C=C(C=C1)CC2=NN=C(S2)N)OCC 1 2.182 3 2 -8.36518770153462 729119 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 1.239 4 4 0 -10.2227653667803 729101 CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC3=CC=CC=C3O2 1 4.89 1 2 0.599744431400781 729100 CC1=C(C(=CC=C1)NS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)OC)C 1 3.46 2 3 -2.56836715684233 729097 CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CN=CC=C2 1 3.144 2 1 -6.6057204125306 729083 COC(=O)C1=CC=C(C=C1)OCC2=NC(=NC(=N2)N)N3CCOCC3 1 0.781 5 4 0 -7.0378116302857 729017 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2 1 2.912 2 2 -12.7048428376495 728989 CCC1=CC=CC=C1NC(=O)COC2=CC3=C(C=C2)OCO3 1 3.16 1 4 -9.01741666255747 728964 CC(=O)N(CCOC1=CC=CC=C1)CCOC2=CC=CC=C2 1 2.844 1 3 -5.68570388636648 728962 CCN(CC)C1=NC=NC2=C1C=C(C=C2)Br 1 2.915 3 0 4.42257393726978 728950 CC(C)NC1=NC=NC2=C1C=C(C=C2)Br 1 2.738 3 0 2.90710621790405 728924 C1=CC(=CN=C1)NC(=O)CCCC(=O)NC2=CN=CC=C2 1 0.105 4 2 0 -8.98256712834727 728912 CN(C)/C=C\1/C2=CC=CC=C2NC1=O 1 0.753 2 1 0 -5.04480189862357 728910 CN(C)/C=C/1\C2=CC=CC=C2NC1=O 1 0.753 2 1 0 -5.04480189862357 728907 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC=CS2)OCC 1 3.561 1 3 -13.2515492082423 728891 COC(=O)CSC1=CC(=C(C=C1)C#N)SCC(=O)OC 1 2.206 1 4 -9.44437149723569 728884 CC1=C(C(=O)C2=C(N1)C(=CC=C2)Cl)CN3CCCCCC3 1 3.798 2 1 -2.62587966370768 728881 CC1=CC(=NN1CNC2=NON=C2OC)C 1 0.741 5 2 0 -8.56416197296095 728877 COC1=C(C(=C(C(=C1)C(=O)OC)NC(=O)OC)OC)OC 1 1.399 1 7 0 -8.56433270018382 728875 COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=CC=C3)OC 1 3.685 2 3 -6.32747506728956 728873 C1=CC=C(C(=C1)CSC2=NSC(=N2)N)Cl 1 3.264 3 0 -2.75874088009979 728868 C1=CSC(=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)O 1 3.216 0 3 2.04451614632351 728862 CC1=C(C(=O)C2=C(N1)C(=CC=C2)Cl)CN3CCCC3 1 2.886 2 1 -2.27141114953961 728861 COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OCC(=O)NC3CC3 1 2.75 1 4 -8.12745151555421 728839 CC1(CC(CC(N1)(C)C)NS(=O)(=O)C2=CC=CC=C2)C 1 1.48 2 2 0 -12.473449019013 728837 CC1=CC(=CC=C1)OC(=O)N2CCOCC2 1 1.973 1 3 0 -4.22610067289901 728835 CSC1=CC=CC=C1NC(=O)C2=CC=C(O2)Br 1 3.119 1 2 -9.9944740634843 728832 C1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 2.945 2 2 -9.39004537158723 728816 CC1=C(C(=O)C2=CC=CC=C2N1)CN3CCCCCC3 1 3.134 2 1 -5.12371870131514 728809 COC1=CC(=C(C=C1)OC)C2=C(C(=O)C3=CC=CC=C3O2)O 1 2.565 0 5 -0.726993189559446 728803 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)F)OC1=O 1 2.239 2 4 -0.827537654621193 728796 CC(=O)C1=CC(=C(C=C1)N2CCCC2)F 1 2.398 1 1 -0.82805282300888 728785 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(O3)Br 1 2.352 1 4 -9.75552378237426 728765 CC1=CC(=C(C(=O)N1C2=CC=C(C=C2)F)C#N)C 1 2.463 2 1 -3.24073499440947 728764 CC1=C(C(=NC(=C1Cl)C)S(=O)(=O)N(C)CC2=CC=CC=C2)C#N 1 3.231 3 2 -4.96530516399138 728759 CC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)F)N3CCOCC3 1 3.775 1 2 -3.45014410533673 728731 CC1=CC(=NC2=C1C(=C(S2)C3=NC4=CC=CC=C4N3)N)C 1 3.494 4 0 2.27753129813102 728724 CC1=C(C(=CC=C1)OCC2=NC(=NO2)C3=NON=C3N)C 1 1.978 5 3 0 -0.476189340728874 728720 C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)C3=CC=CC=C3 1 4.65 2 1 -12.879512793382 728709 C1=CC=C(C=C1)NC(=O)NCCC2=CNC3=CC=CC=C32 1 3.144 3 1 -9.41759832865336 728689 C1COCCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)N 1 1.204 3 2 0 -9.85176328364329 728682 CC1=C(C=C(C(=N1)SCC(=O)OC(C)(C)C)C#N)C(=O)C 1 2.3 2 3 -17.5017410112402 728675 CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC(C)(C)C 1 2.855 3 1 -18.4802558974052 728667 CC1=CC=C(N1C2=C(C=C(C=C2)OC)[N+](=O)[O-])C 1 2.875 2 3 -4.19426048055178 728661 COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=CC=C3 1 4.661 3 1 -8.86879030552126 728653 CC1=NN(C(=C1C(=O)NC2CCCCC2)Cl)C3=CC=CC=C3 1 3.864 3 1 -6.58385641729751 728651 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)Cl 1 3.232 1 1 -2.85059032416739 728650 C1=CC=C(C=C1)CCNC(=O)C2=CC=CS2 1 2.896 1 1 -8.49136807056207 728608 C1=CC=C(C=C1)C2=C3C=CC=CN3C(=N2)C4=CC=CO4 1 3.859 2 1 4.61914898113435 728593 C1=CC(=C(C(=C1)Cl)CSC2=NN=C(S2)N)F 1 3.094 3 0 -8.64166571354929 728587 CC1=CC=C(C=C1)NC(=O)NC2=NOC(=C2)C 1 2.147 3 2 -11.6837230937179 728578 CCOC(=O)CCC1=NNC(=O)NC1=O 1 -0.495 3 4 0 -23.9184616996358 728570 C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN 1 2.347 5 1 -9.19770403750667 728558 CC1=CC=CC(=N1)C=NNC(=O)CN2C(=CC=N2)C 1 0.89 5 1 0 -15.8417017256236 728537 CC1=CC=NN1CC(=O)NN=CC2=CC=C(O2)C 1 0.871 4 2 0 -16.65489167919 728535 C1=CC=C(C=C1)CCNC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.972 1 3 -13.851598489576 728528 CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CO3 1 3.173 0 5 -8.38432750869283 728526 CC1=C(SN=N1)C(=O)NC2=CC=CC=C2 1 1.733 3 1 0 -10.6098080723018 728524 CC1=C(SN=N1)C(=O)NC2=CC(=CC=C2)Cl 1 2.397 3 1 -7.70428467722303 728520 CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=CC=C3 1 3.913 0 3 -4.28719168846732 728518 C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CN=CC=C4 1 2.759 4 1 -8.85133432360082 728514 COC(=O)C1=CC=C(C=C1)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.001 1 6 0 -9.28766006473154 728508 C1CCC(CC1)NC(=O)NC2=CC=CC=C2C(F)(F)F 1 3.746 2 1 -8.49808804594788 728497 CCOC(=O)NC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C2=O 1 2.551 2 4 -9.14361508724102 728491 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CS2 1 1.873 1 3 0 -13.3641817421005 728482 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)C)C 1 1.874 4 3 0 -15.7142899241883 728478 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N 1 2.707 2 2 -7.65115622052816 728456 C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)C(=O)O 1 3.587 1 4 -7.63349437816866 728446 C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)CC4=CC=CS4 1 4.053 2 2 3.45591009701826 728434 CC1=C(C=CC=C1NC(=O)C2=CC=CS2)C(=O)O 1 2.684 1 3 -7.00162871483696 728401 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3[N+](=O)[O-] 1 2.314 1 7 0 -9.41626384360419 728385 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C4=NC5=CC=CC=C5O4 1 3.889 2 3 5.56811451849149 728380 CCC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2 1 3.068 2 2 7.24636868169197 728374 CC(=O)NN1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 1.486 3 6 0 -5.60954468961198 728372 C1=CC(=CC=C1NN=C(C#N)C(=S)N)Cl 1 2.46 4 0 2.91352906742764 728371 CC(=O)NN1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=CC(=C3)[N+](=O)[O-] 1 1.486 3 6 0 -7.46498847291021 728370 CC1=CC(=CC(=C1C(=O)CC2=CSC(=N2)C)O)O 1 2.416 1 3 0.588822703410515 728341 COC(=O)C1=CC=C(C=C1)NC(=S)NN2CCOCC2 1 1.697 3 3 0 -10.8417442877549 728338 CC1=NN(C=C1C=NNC(=S)NC2=CC=CC=C2)C 1 3.018 5 0 -3.59025309138885 728324 C1CCCN(CC1)C2=C(C(=O)NN=C2)Cl 1 1.208 3 1 0 -7.965271229651 728322 C1=CC=C(C(=C1)C#N)NC(=O)NC2=CC=C(C=C2)Cl 1 3.066 3 1 -4.01925922395379 728321 C1CCN(C1)C2=C(C(=O)NN=C2)Cl 1 0.295 3 1 0 -7.61080271548292 728320 C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C#N 1 2.401 3 1 -6.16632504992636 728319 CN1CCN(CC1)C2=C(C(=O)NN=C2)Cl 1 -0.208 4 1 0 -4.98586583363734 728318 CCNC(=O)NC1=CC=CC=C1C(=O)OC 1 1.15 2 3 0 -13.4748218034281 728312 COC1=C(C=C(C=C1)CCNC2=C(C(=O)NN=C2)Cl)OC 1 1.17 3 3 0 -10.4267878519821 728310 C1=CC=C(C=C1)CCNC2=C(C(=O)NN=C2)Cl 1 1.203 3 1 0 -6.83052181924856 728308 C1CC(=O)N(C1=O)CNC2=CN=CC=C2 1 -0.298 3 2 0 -8.84648400585348 728299 COC(=O)C1=CC=C(C=C1)NC(=O)NC(=O)OC2=CC=CC=C2 1 2.805 2 5 0 -4.53903907974371 728292 CC1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)Cl)Cl 1 2.708 2 1 6.99454818094606 728287 CCN(CC)C1=C(C2=CC(=NC(=C2C(=N1)N)N)OC)C#N 1 1.822 6 1 0 -8.85267007732086 728285 CCN(CC)C1=C(C2=CC(=NC(=C2C(=N1)N)N)OCC)C#N 1 2.171 6 1 0 -6.94649876369458 728284 CCOC1=NC(=C2C(=C1)C(=C(N=C2N)N3CCCCC3)C#N)N 1 2.391 6 1 0 -5.28884986595876 728282 COC1=NC(=C2C(=C1)C(=C(N=C2N)N3CCCCC3)C#N)N 1 2.042 6 1 0 -6.97672187637788 728278 CN(C1=CC=CC=C1)C2=C(C(=C(C(=N2)N)C#N)CC#N)C#N 1 2.438 6 0 -3.74807404390608 728266 C1=CC(=C(C(=C1)Cl)CSC2=NC=NN2)F 1 3.126 3 0 -10.3918333331096 728246 C1=CC=C(C=C1)CCNC2=NC=CC(=O)N2 1 1.153 3 1 0 -5.51139547806746 728245 CC1=CC(=O)N=C(N1)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 0.432 5 2 0 -18.6446840165603 728243 CC1=CC(=O)N=C(N1)NCCC2=CC(=C(C=C2)OC)OC 1 1.634 3 3 0 -11.6653344981569 728238 CCCC1=CC(=O)N=C(N1)NCCC2=CC=CC=C2 1 2.647 3 1 -6.09889871094009 728237 C1CN(C2=CC=CC=C21)C(=O)C3=CC=C(O3)Br 1 2.858 1 2 -10.6889746126953 728235 CC1(C(C1(C)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C 1 3.547 2 1 -0.895512724807181 728234 CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)OC 1 1.922 3 2 0 -16.9611180177983 728232 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2C=NC3=CC=CC=C32 1 3.38 3 3 -5.81290697434887 728228 COC1=C(C=C(C=C1)CCNC2=NC(=O)C=NN2)OC 1 1.139 4 3 0 -10.6398862104603 728200 CCOC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC(=C3)C 1 3.898 0 6 -4.2840423934341 728185 C1CS(=O)(=O)C2=CC=CC=C2C1=NO 1 1.097 1 3 0 9.43147670836003e-002 728166 CC1=NNC(=NC1=O)NC2CCCCC2 1 1.204 4 1 0 -9.80548827413083 728157 CC1=NNC(=NC1=O)NCCC2=CC(=C(C=C2)OC)OC 1 1.218 4 3 0 -11.2025881583835 728146 CCC1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3 1 2.755 4 2 -11.3346359819465 728145 C1C(=O)C(=C(N1CCC2=CC=CC=C2)N)C3=NC(=O)C4=CC=CC=C4N3 1 2.045 4 2 -10.998934300147 728137 C1=CC=C(C=C1)OCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 1.932 3 5 0 -5.10429261066408 728111 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)OC2=CC=CC=C2 1 2.881 1 6 0 -10.4600532568007 728109 CN1C=CN=C1SCC2=CC=C(C=C2)C(=O)OC 1 2.445 2 2 -7.37853442228204 728102 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CN=C3)Br 1 1.998 2 3 0 -8.25635365265477 728083 C1COCCN1CC2=NC(=O)C3=CC=CC=C3N2 1 0.523 3 2 0 -6.13122369943695 728064 C1=CC=C(C=C1)C(=O)NC(=O)CSC2=NC=CC=N2 1 1.622 3 2 0 -10.618164751568 728026 CC1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)N3CCOCC3 1 1.702 2 3 0 -2.88784134471273 728024 C1CCC(CC1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)Cl)Cl 1 3.514 2 2 -5.37158223558355 728021 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC=C(C=C3)OC 1 3.213 3 3 -7.99427264958277 728019 C1CCC(CC1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl 1 2.857 2 2 -0.266403399528757 728016 CC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3CCCCC3)Cl 1 3.614 2 2 -3.75554440905344 728009 CC1=CC=CC=C1NC2=C(C(=O)N(C2=O)C3CCCCC3)Cl 1 3.614 2 2 -5.15089484762746 727967 CSC(=NS(=O)(=O)C1=CC=CC=C1)SC 1 3.192 1 2 -5.28121158991433 727950 C1CCC(CC1)NC(=O)CSC2=NNC(=O)NC2=O 1 0.687 4 3 0 -25.0374059892508 727946 C1CCN(C1)CC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 2.612 3 1 7.78141676489149 727920 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC 1 2.231 1 3 -6.89085523261552 727900 C1=CC=C(C(=C1)C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])N3C=CC=C3 1 3.453 4 3 0 -8.29853359832399 727889 C1=CC=C(C(=C1)C(=O)NN)N2C=CC=C2 1 1.216 3 1 0 -4.77932477849485 727884 CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.272 2 3 -7.85352808160089 727879 CC1=CC=C(C=C1)CCNC(=O)NC(C)(C)C 1 2.691 2 1 -11.5802828239809 727857 C1=CC(=CC(=C1)Cl)NC(=O)NCCC2=CC=C(C=C2)Cl 1 4.179 2 1 -2.46514720317408 727855 CC1=CSC(=N1)NC(=O)NC2=CC(=CC=C2)Cl 1 2.467 3 1 -0.799337549648915 727839 CC1=CC(=CC=C1)NC(=O)NCCC2=CC=C(C=C2)Cl 1 4.001 2 1 -1.92229758260881 727834 C1=COC(=C1)C2=CSC(=N2)N 1 1.422 2 1 0 6.66907042672223 727831 CC1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)OC 1 1.645 3 3 0 -11.6915252180623 727830 CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)OC 1 3.906 2 2 0.110843200719551 727826 COC1=CC=CC(=C1)NC(=O)NCCC2=CC=C(C=C2)Cl 1 3.499 2 2 -3.86620395039442 727825 COC1=CC=CC(=C1)NC(=O)NCC2=CC=CC=C2Cl 1 3.177 2 2 -6.01034189210178 727824 CC1=C(C=C(C=C1)NC(=O)NC2=CC(=CC=C2)OC)Cl 1 3.657 2 2 -2.09256446824163 727816 C1=CC(=C(N=C1)Cl)NC(=O)NC2=CC=C(C=C2)F 1 2.451 3 1 -3.30795482334639 727815 CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)F 1 4.128 2 1 1.14956520521024 727809 C1=CC(=CC=C1CCNC(=O)NC2=CC=C(C=C2)F)Cl 1 3.72 2 1 -3.09806611047269 727807 CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)F)Cl 1 3.879 2 1 -1.10491715454966 727780 C1=CC(=C(N=C1)Cl)NC(=O)NC2=CC=C(C=C2)Cl 1 2.91 3 1 -3.01396215974329 727779 CC1=CSC(=N1)NC(=O)NC2=CC=C(C=C2)Cl 1 2.467 3 1 -1.72620811576754 727733 C1COCCN1C2=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C52 1 1.857 4 2 0 -6.36810674839835 727725 C1=CC=C2C(=C1)C=NN(C2=O)C3=NC4=CC=CC=C4S3 1 3.261 3 1 2.05776799396898 727721 CC(=O)C(=NNC1=CC2=C(C=C1)OCO2)C(=O)C 1 1.275 2 4 0 -2.70163864576236 727717 C1COCCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CS4 1 2.789 3 1 -4.49335338460074 727713 CC(=O)C(=NNC1=CC=C(C=C1)OC)C(=O)C 1 1.491 2 3 0 -0.274838903368799 727712 C1CCN(CC1)CCS(=O)(=O)CCC(=O)N 1 -6.3e-002 2 3 0 -6.51559171656828 727699 CC1=CC=C(C=C1)C2=NNC(=S)C3=CC=CC=C32 1 4.006 2 0 -3.5981455721118 727655 CC1=CC=C(C=C1)C2=CSC3=C2C(=S)NC=N3 1 3.44 2 0 2.8378233274929 727658 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCCCC2=O 1 3.596 1 2 -6.43205481058319 727660 CC1=C(NC(=C1C(=O)OC)C)C(=O)CC#N 1 1.501 2 3 0 -11.2164815333289 727693 CC1=CC(=NC2=C1C=CC(=C2)OC)SCC3=C(ON=C3C)C 1 4.032 2 2 -5.25961657409352 727692 C1OC2=C(O1)C=C(C=C2)CSC3=NN=C4N3C=CC=C4 1 3.04 3 2 -11.9742276604184 727674 CCN1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CCC3)C#N 1 1.854 4 1 0 -19.0296067980466 727651 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC4=C3C(=O)NC=N4 1 3.573 2 1 1.56127347457792 727650 COC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC=N3 1 2.039 2 2 -0.373366760426644 727637 C1=CC(=CC=C1C2=CSC3=C2C(=O)NC=N3)Br 1 2.803 2 1 0.404938394202877 727631 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CCl 1 3.125 1 3 -7.13852093164385 727628 CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC4=C(ON=C4C)C 1 3.977 4 1 -14.9353576166943 727620 CC1CCN(CC1)C2=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C52 1 3.338 4 1 -6.1874188196945 727619 COC(=O)C1=C(SC2=C1CCC2)NC(=O)/C=C/C3=CC=CO3 1 3.046 1 4 -15.1964587192394 727608 CC1=C(C(=NO1)C)CSC2=NC=NC3=C2C4=C(S3)CCC4 1 3.585 3 1 -18.3914092930341 727600 C1=CC(=CC=C1C2=CSC3=C2C(=O)NC=N3)F 1 2.26 2 1 0.751476474182748 727593 C1CC2=C(C1)SC3=NC=NC(=C23)NCCC4=CC=CS4 1 3.958 3 0 -7.52771177497853 727588 C1=CC=C2C(=C1)C=NN(C2=O)C3=NC4=CC=CC=C4N3 1 2.693 4 1 -7.57334210681749e-002 727587 C1=CC=C(C(=C1)CSC2=NN=C3N2C=CC=C3)[N+](=O)[O-] 1 3.166 4 2 -14.321894055831 727572 CCOC(=O)C1=NN(C=C1O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.341 3 5 0 0.395562125228305 727560 C1=C(OC(=C1)C(=S)N)C(=S)N 1 1.256 2 1 0 -1.54171435308141 727559 C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)C=O 1 3.284 1 2 4.55055662531844 727521 C1=CC=C(C(=C1)/C=C\2/C3=CC=CC=C3NC2=O)Cl 1 3.395 1 1 -1.05793013420985 727520 C1=CC=C2C(=C1)N=C(S2)CC(=O)C3=C(C=C(C=C3)O)O 1 3.275 1 3 5.93146711138266 727479 CN1C=CC=C1C=NNC(=O)C2=CC=NC=C2 1 1.123 4 1 0 -8.73877201567866 727465 C1=CC=C(C=C1)/C=C(/C=NNC(=O)CC2=CC=CS2)\Br 1 3.484 2 1 -10.6240617373079 727453 CCOC1=CC=CC(=C1)C2=NNC(=C2)C(=O)NN 1 1.355 4 2 0 1.06016361985139 727435 CC1=CC=C(O1)C2=CC(=NN2)C(=O)NN 1 0.563 4 2 0 0.256667477602966 727428 CCOC(=O)C1=CC=CC=C1NC(=O)CC2=CC=CC=C2OC 1 2.837 1 4 -14.9699750058242 727424 CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CS2 1 1.612 3 3 0 -10.6957534126773 727416 CC1=CC=C(C=C1)N2CCN(CC2)N=CC3=CC=CS3 1 3.632 3 0 1.73214391685833 727414 CC1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=C(C=C3)C 1 4.165 3 0 3.46886032940275 727412 CC1=CC=C(C=C1)N2CCN(CC2)N=C/C(=C/C3=CC=CC=C3)/C 1 4.486 3 0 1.35295285008318 727411 CCOC1=CC=C(C=C1)N=CC2=CC3=CC=CC=C3C=C2 1 4.667 1 1 7.90793833658804 727402 CC1=CC=C(C=C1)N2CCN(CC2)N=CC3=CC=C(O3)C 1 3.22 3 1 3.20897940632884 727400 CC1=CC=C(C=C1)N2CCN(CC2)N=CC3=CC=C(C=C3)SC 1 4.221 3 0 6.50029621209012 727399 COC(=O)CCC(=O)NC1=CC=C(C=C1)Br 1 1.769 1 3 0 -12.8433437995495 727392 CCOC1=CC=CC=C1C=NC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 4.543 2 2 1.43268359132062 727386 CC1=CC=C(C=C1)N2CCN(CC2)N=CC3=CC=CC=C3[N+](=O)[O-] 1 3.573 4 2 1.54227565345947 727369 COC1=CC=CC=C1N2CCN(CC2)N=CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.071 4 3 0 -0.404632702268835 727357 CC1(CC(=NC2=CC3=C(C=C2)NC(=O)N3)CC(=O)C1)C 1 1.471 3 2 0 -10.1196193879585 727355 COC1=CC=CC=C1N2CCN(CC2)N=CC3=CC(=CC=C3)Cl 1 3.841 3 1 4.98912353620585 727354 C1CCCN(CC1)C2=NC3=NON=C3N=C2N4CCCCCC4 1 2.399 6 1 0 -11.8286338661175 727351 CC1=NC(=S)C2=CC=CC=C2N1 1 1.728 2 0 0 -3.80335390918477 727320 CN(C)C1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=C3 1 3.355 4 0 1.37258969786542 727314 C1CN(CCN1C2=CC=CC=C2)N=CC3=CC=CC=C3 1 3.193 3 0 3.56890079734547 727308 CC1=C(OC2=CC=CC=C12)C(=O)NCC3=CC=CO3 1 2.884 1 3 -0.675286362547555 727303 CSC1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=C3 1 3.735 3 0 6.23899301694789 727295 CC1=CC=C(C=C1)C2=CN3C=CC=NC3=N2 1 2.618 3 0 2.22350021142876 727274 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)CCCC(=O)O 1 0.353 2 5 0 -21.350332655739 727271 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl 1 2.38 2 3 -11.1719819970028 727270 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 1.699 2 4 0 -13.4069468967338 727263 C1CC2=C(C(=O)C1)N=C(N2O)C3=CC=CC=C3 1 0.336 2 2 0 -0.988660052767243 727259 COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCO 1 2.321 3 3 -11.009251175884 727248 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])N 1 3.016 4 3 0 -15.7486996952066 727229 CNC(=S)NC1=CC=CC(=C1)C(=O)OC 1 2.367 2 2 -11.8828076018427 727196 C1=CC(=CC=C1C2=CC(=NC(=N2)N)C(F)(F)F)Br 1 3.891 3 0 4.48050919669542 727193 CC(C)NC1=CC=C(C=C1)N2N=C3C=CC=CC3=[N+]2[O-] 1 2.863 4 1 -2.08224131948406 727185 CC1=NC=C(N1CCOC(=O)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] 1 3.035 3 4 0 -8.26245327971803 727132 C1=CC(=CC=C1CC(=O)NC2=NC=CS2)F 1 1.852 2 1 0 -5.78344649963782 727091 COC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC=C3F 1 3.722 2 1 2.7818404018575 727085 C1=CC=C(C=C1)/C=C(/C=NN2C=NN=C2)\Br 1 1.858 4 0 0 -2.76662324001412 727079 C1=CC=C(C=C1)/C=C(\C=NN2C=NN=C2)/Cl 1 1.774 4 0 0 -0.471828718790495 727074 C1CCC(C1)NC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4N3 1 3.88 3 1 -4.01438668275046 727072 C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=CC=N3 1 2.385 4 1 -1.36437110636256 727067 C1CCC(CC1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.457 4 1 0 -1.55973639200728 727064 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 0.89 5 3 0 -4.28976464242106 727063 C1COC2=C(O1)C=CC(=C2)NC(=O)C(=S)NCC3=CC=CC=C3 1 2.767 2 3 -9.8696262276082 727062 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CS3 1 0.949 4 1 0 -6.5396656730298 727061 C1COC2=C(O1)C=CC(=C2)NCC3=CC=CC=C3O 1 2.766 1 3 0.222007632409205 727060 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)Cl 1 1.66 4 1 0 0.731971714650271 727056 C1CN(CCN1CCC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.118 2 1 6.53500116388178 727045 C1CCC(CC1)NC(=S)NNC(=O)C2=CC=CS2 1 3.231 3 1 -11.1573750531098 727037 COC1=CC=CC=C1C2NC3=CC=CC4=C3C(=CC=C4)N2 1 3.941 2 1 2.66937586789846 727034 CC1=CC=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2 1 4.443 2 0 5.09506754734694 727031 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.852 3 2 0.816131740918479 727030 C1CCCC2(CC1)NC3=CC=CC4=C3C(=CC=C4)N2 1 4.12 2 0 0.494403959430433 727029 C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3C=C2 1 3.849 1 1 -2.5704994754428 727028 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=C(C=C(C=C4)O)O 1 3.473 2 2 7.04890898880681 727026 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=C(C=C(C=C4)Cl)Cl 1 5.286 2 0 6.86308319703996 727019 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=C(C=CC=C4Cl)Cl 1 5.286 2 0 2.44487472661828 727017 CC1(CC2=C(CC3=C(O2)CC(CC3=O)(C)C)C(=O)C1)C 1 2.432 0 3 -8.18877841976281 727012 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=C(C(=CC=C4)Cl)Cl 1 5.286 2 0 4.10826041414377 727009 C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)/C=C/C4=CC=CO4 1 3.819 4 2 -5.84921216952814 727005 C1CN(CCN1C2=CC=C(C=C2)Cl)N=CC3=CC=CC=C3[N+](=O)[O-] 1 3.752 4 2 3.36427434404628 726999 C1CCC(CC1)NC(=S)NCCN2CC3=CC=CC=C3C2=O 1 3.332 3 1 -17.0834471565167 726998 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=CO2)C 1 2.283 1 4 -12.4512769144275 726993 CCN(CC)C1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=N3 1 3.441 5 0 -1.7711908570981 726989 CC(C)C1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=N3 1 3.775 4 0 3.46694107942479 726983 CC1(C2=CC=CC=C2N([C@@]13C=CC4=C(O3)C=CC(=C4)O)C)C 1 4.449 1 2 -8.40573044159661 726977 CON1C2=C(CCCC2)C3=C1C=CC4=NON=C43 1 0.853 3 2 0 3.08801491543746 726974 C1CN(CCN1C2=CC=CC=N2)N=CC3=CC=CO3 1 1.976 4 1 0 2.1423040707361 726970 CN(C)C1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=N3 1 2.744 5 0 0.522195004160499 726965 C1CN(CCN1C2=CC=CC=N2)N=C/C(=C/C3=CC=CC=C3)/Cl 1 3.31 4 0 0.818682144670843 726962 C1=CC=C(C(=C1)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)O 1 4.351 2 2 3.50295554806242 726961 CC(=NNS(=O)(=O)C1=CC=C(C=C1)OC)C2=CC=C(C=C2)Cl 1 3.014 2 3 -3.93206002820261 726956 C1=CC(=CC=C1OCC2=CC=C(O2)C(=O)NC3=NC=CS3)F 1 2.857 2 3 -5.76632853561536 726955 C1=CC=NC(=C1)CNC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Cl 1 3.39 2 3 -8.46606216847599 726953 C1CN(CCN1C2=CC=CC=N2)N=CC3=CC=CC=C3[N+](=O)[O-] 1 2.476 5 2 0 0.262164767599911 726949 CC1=NC(=C(C(=N1)NC(=O)C(C)C)C(=O)C)C2=CC=CC=C2 1 2.482 3 2 -6.60722719329627 726947 CC1=C(C(=NC(=N1)C)NC(=O)C(C)C)C(=O)C 1 0.818 3 2 0 -10.9265603818473 726944 C1COC2=NC3=CC=CC=C3C(=O)N21 1 1.497 2 2 0 -6.62741274013557 726942 CCOC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C)C(=O)N 1 2.095 4 2 -7.96216013219666 726939 CCC1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=N3 1 3.524 4 0 2.94404324699407 726936 COC1=CC=CC=C1C=NN2CCN(CC2)CC3=CC=CC=C3Cl 1 3.752 3 1 2.62791980707811 726932 C1=CC(=CC=C1OCC2=CC=C(O2)C(=O)NN)Br 1 2.128 2 3 -4.05286893988132 726928 CC1=CC=C(C=C1)C=NN2CCN(CC2)CC3=CC=CC=C3 1 3.59 3 0 3.85816954337617 726927 C1=CC=C2C=C(C=CC2=C1)OCC3=CC=C(O3)C(=O)NN 1 2.288 2 3 -1.8716870271389 726924 C1CN(CCN1CC2=CC=CC=C2)N=CC3=CC=CC=C3 1 3.104 3 0 3.39319426424357 726923 CC1=CC(=CC(=C1)OCC2=CC=C(O2)C(=O)NN)C 1 2.353 2 3 -4.6661812344705 726922 CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NN)[N+](=O)[O-] 1 1.761 3 5 0 -6.21430356860719 726921 COC(=O)C1=CC=C(C=C1)C=NN2CCN(CC2)CC3=CC=CC=C3 1 2.96 3 2 -0.545683526515881 726914 CCC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O 1 3.442 0 4 -4.46785939174733 726913 CC1=C(C=C(C=C1)OCC2=CC=C(O2)C(=O)O)C 1 3.472 0 4 -4.41433324113396 726906 CC1=NN=C(N1N=CC2=CC=C(C=C2)C(C)C)C 1 2.76 4 0 0.195017108900745 726904 CC1=NN=C(N1N=CC2=CC=CS2)C 1 1.52 4 0 0 -2.10644793915053 726898 C1COCCN1C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3 1 2.782 1 3 -7.78758897467545 726894 CC1=CC(=C(O1)C)C(=O)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)C 1 2.732 4 2 -6.99911093080382 726887 COC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.82 2 4 -8.71274387192668 726848 CC(=C)CN1C(=NN=C1SCC(=O)O)C2=CC=C(C=C2)C(C)(C)C 1 4.353 3 2 -11.6805796836041 726847 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=CC=C(C=C3)Cl 1 4.13 3 2 -7.71499529091857 726845 CC(=C)CN1C(=NNC1=S)C2=CC=NC=C2 1 2.014 4 0 -7.52314559302165 726838 CCN1C(=NNC1=S)C2=CC=C(C=C2)C(C)(C)C 1 3.851 3 0 5.41751085935012e-002 726836 CCN1C(=NNC1=S)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.345 4 2 -5.02980689078875 726835 CCN1C(=NNC1=S)C2=CC=C(C=C2)Cl 1 3.115 3 0 -0.701960349930986 726833 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NO 1 2.311 3 1 3.36291556788354 726825 CC(=C)CN1C(=NN=C1SCC(=O)O)C2=CC=C(C=C2)OC 1 2.936 3 3 -14.6716800418596 726799 C1=CC(=CC=C1C(=O)COC(=O)C2=NON=C2N)Cl 1 1.631 3 4 0 -13.5289315679192 726794 COC1=C(C(=CC(=C1)C=NN2C(=NN=N2)N)Cl)OC 1 1.212 6 2 0 -5.9383091663704 726791 CC1=CC2=NC(=C(N2C=C1)C(=O)NN=CC3=CC=CC=C3[N+](=O)[O-])C 1 2.515 5 3 0 -7.14496653435311 726780 CC(=NNC(=O)C1=CN=CC=C1)/C=C/C2=CC3=C(C=C2)OCO3 1 1.739 3 3 0 -7.91783659541762 726769 CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4C=CN=C4)C#N 1 2.909 5 0 -8.01290201268247 726753 CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC=CS2 1 2.197 2 3 -9.68293758319694 726748 C1CCN(CC1)C(=O)OC2=CC=C(C=C2)Cl 1 3.381 1 2 -1.75174611330399 726740 COC1=CC=C(C=C1)C2=NC(=C(O2)N3CCCCC3)C#N 1 3.147 3 2 -1.34013098243142 726730 CC1=CC=C(C=C1)OCC(=O)NN=CC2=CN(C3=CC=CC=C32)C 1 3.504 3 2 -2.72359985614079 726711 CN1C(=CC(=O)N(C1=O)C)NC2=CC=CC=C2 1 1.466 3 2 0 -7.2202353456223 726708 C1CCCN(CC1)C(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C34 1 3.71 1 2 -3.95027598082983 726706 CCN(CC)C(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C23 1 3.034 1 2 -6.3978527764311 726694 C1=CC2=NN=C(N2C=C1)C3=CC=C(C=C3)F 1 2.451 3 0 6.23710491467189e-002 726646 CCOC1=NC(=C(S1)Cl)S(=O)(=O)C2=CC=C(C=C2)C 1 3.746 1 3 -7.55964754577175 726644 C1C(=O)NC(=O)CN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 -0.629 3 6 0 -17.6511460222779 726641 CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC(=O)C2 1 -3.7e-002 2 4 0 -15.5567482349207 726637 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC(=O)C2 1 -1.403 3 5 0 -20.6359379693048 726619 C1=CC=C(C=C1)OC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.921 1 5 -5.48287023997247 726602 CCN(CC)S(=O)(=O)C1=C2C=CC=C3C2=C(C=C1)NC3=O 1 1.507 2 3 0 -17.0852292892641 726601 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3)S(=O)(=O)N(CCO)CCO 1 -0.269 2 5 0 -14.9359554057021 726578 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OC 1 1.293 2 5 0 -13.566288669712 726571 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=NC=C3 1 1.706 3 2 0 -3.57570044863959 726569 CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C3=CC=CC=C32)O 1 3.926 1 3 0.521786790751047 726565 COC1=C(C2=CC=CC=C2C=C1)C=NN3C=NN=C3 1 1.937 4 1 0 4.37162040319753 726556 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2 1 3.106 2 2 0.163517273982415 726555 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.346 2 3 -4.67627855518896 726542 CC1=CC=C(C=C1)C2=NC(=S)C3=C(N2CC4=CC=CO4)CCCC3 1 4.842 2 1 -8.40400320199229 726541 C1CCC2=C(C1)C(=S)N=C(N2CC3=CC=CO3)C4=CC=CC=C4 1 4.356 2 1 -8.97591384483227 726535 COC1=CC(=C(C=C1)C=NS(=O)(=O)CCC2=CC=CC=C2)OC 1 3.296 1 4 -2.71749769541947 726503 C1CN(CC2=CC=CC=C21)CC3=CC(=C4C=CC=NC4=C3O)Cl 1 4.17 2 1 0.295929781854912 726481 C1=CC=C(C=C1)C2=C(C(=O)NC2=O)N 1 -0.113 2 2 0 -2.54793640903635 726463 COC(=O)CC1=CC2=C(C=C1)SC(=N2)C3=CC=CC=C3 1 3.729 1 2 0.934848118506052 726461 C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)CC(=O)N 1 2.875 2 1 3.97821589884307 726435 CC(C)(C)S(=O)(=O)C1=CC=C(S1)S(=O)(=O)C(C)(C)C 1 2.655 0 4 -2.68138845040117 726432 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C(C)(C)C 1 3.687 0 2 0.744265981405641 726423 CN1CCN(CC1)C(=S)NC2=CC=CC(=C2)C(=O)OC 1 2.86 3 2 -12.6371874131938 726421 COC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)Cl 1 4.615 2 2 -9.86046996315113 726408 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(=O)N 1 2.702 1 4 -2.15241782819823 726399 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)O 1 4.455 0 5 -6.89069776136146 726388 CNC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2 1 1.73 3 2 0 -8.72669380934158 726387 CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)O 1 3.284 0 5 -13.6025915313797 726384 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC(=O)OC 1 0.114 3 4 0 -24.5024319713625 726382 COC(=O)C1=CC=C(C=C1)NC(=S)NC2CC2 1 2.857 2 2 -11.5378758994503 726379 COC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CO2 1 3.132 2 3 -13.0198837057957 726377 CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)OC 1 2.86 3 2 -11.821115790709 726368 COC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CCCCC2 1 4.695 2 2 -15.7060605251531 726367 COC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CCCCC2 1 4.695 2 2 -14.8899889026683 726364 C1CCC(CC1)NC(=S)NS(=O)(=O)C2=CC=CC=C2 1 3.472 2 2 -10.1578841908431 726358 COC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=CO2 1 3.132 2 3 -13.9333495548053 726348 COC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=CC=C2 1 4.272 2 2 -12.2173515037142 726344 COC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=CC=CC=C3C=C2 1 5.13 2 2 -5.30364546633121 726342 C1=CC=C(C=C1)NC(=O)NC2=NC3=CC=CC=C3S2 1 3.148 3 1 -0.272766149007084 726336 COC(=O)C1=CC=C(C=C1)NC(=S)NC2CCCCC2 1 4.226 2 2 -11.3787382334512 726331 COC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2 1 3.129 3 3 -9.84846622437582 726319 COC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)O 1 3.98 2 3 -5.38651099861514 726316 COC(=O)C1=CC(=CC=C1)NC(=S)N 1 1.935 2 2 0 -6.58520766642015 726295 COC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=N2 1 3.61 3 2 -7.55028269526146 726285 COC(=O)C1=CC(=CC=C1)NC(=S)N2CCCCC2 1 3.82 2 2 -15.3942237880625 726282 COC(=O)C1=CC=CC=C1NC(=S)N2CCOCC2 1 2.591 2 3 -18.608124511762 726273 COC(=O)C1=CC(=CC=C1)NC(=S)N2CCOCC2 1 2.591 2 3 -16.9625202378381 726225 CNC1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N 1 -0.207 4 2 0 -6.38999808696601 726209 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.198 3 4 0 -1.34134937808728 726207 CC(=O)NC1=NC=C(S1)CC2=C(C(=CC=C2)Cl)Cl 1 3.12 2 1 -3.93057763826711 726201 CC(=O)NC1=NC=C(S1)CC2=CC(=CC=C2)Cl 1 2.456 2 1 -4.33199989185823 726198 C1=CC=C(C(=C1)N)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.6 2 2 -2.15009177388264 726186 C1CN(C2=CC=CC=C21)C(=O)/C=C/C(=O)O 1 1.474 1 3 0 -5.66934358017616 726154 COC1=CC=C(C=C1)NC(=O)CCC(=O)OC 1 1.004 1 4 0 -13.4528761052696 726141 CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1)OC(=O)C 1 3.632 0 4 -1.56613928873651 726126 CS(=O)(=O)C1=NC(=NN1)C2=CC=C(C=C2)Br 1 2.026 3 2 0.24846462044405 726084 COC(=O)C1=CC(=C(C=C1)SC2=CC=CC=N2)[N+](=O)[O-] 1 3.086 2 4 -7.39344491183659 726125 COC(=O)C1=CC(=C(C=C1)SC2CCCCC2)[N+](=O)[O-] 1 3.979 1 4 -4.74349075719091 726120 C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3N2CCC(=O)O 1 3.35 3 2 -7.61429495421875 726119 C1=CC=C(C=C1)C2=C(C(=NN2)C3=CC=CC=C3)N 1 3.284 3 0 2.46516966271264 726117 COC1=NC=NC2=C1C=NN2C3=CC=CC=C3 1 2.199 4 1 1.29259132365068 726097 C1=CC=C(C=C1)N2C(=NNC2=S)CN3C=NC4=CC=CC=C43 1 3.251 5 0 -8.48225144546781 726075 CC1=CC(=CO1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 1.649 1 4 0 -8.71188404121847 726071 CC1=C(C=CO1)C2=NNC(=S)N2C3=CC=CC=C3 1 2.927 3 1 -4.1943449692939 726070 C1=CC=NC(=C1)SCC2=C(C=C(C=C2)C#N)Cl 1 3.887 2 0 -7.20282191323692 726069 CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC 1 2.114 2 2 -7.47770332983098 726058 C1=COC(=C1)C(=O)CCNC2=CC(=C(C=C2)F)Cl 1 3.407 1 2 -0.135811841117405 726031 CC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)O 1 2.319 2 2 -13.5733872125191 726013 CC1=CC=CC=C1OCC2=NNC(=S)N2C3=CC=CC=C3 1 4 3 1 -4.82066072053273 726012 C1=COC(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O 1 2.821 2 4 -9.58139342082964 726005 COC1=CC2=CC=CC=C2C=C1C(=O)NC3=NC=CS3 1 2.503 2 2 -5.63265070942974 725993 CC(C)(C)C1=CC=CC=C1OCC(=O)NCC2=CC=CC=C2 1 3.857 1 2 -8.6787043027021 725974 CC(C)NC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=O 1 2.856 1 2 -10.3502145479013 725971 C1CCCN(CC1)C(=O)C2=CC=CC3=C2C4=CC=CC=C4C3=O 1 3.71 1 2 -4.46011390485024 725969 C1COCCN1C(=O)C2=CC=CC3=C2C4=CC=CC=C4C3=O 1 2.024 1 3 -6.02841035462583 725967 C1CCN(CC1)C(=O)C2=CC=CC3=C2C4=CC=CC=C4C3=O 1 3.253 1 2 -4.46011390485024 725940 CC1=CC(=NC=C1)NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Cl 1 4.194 2 3 -1.52212028084985 725924 CC(C)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3 1 3.168 4 1 -1.91675059858888 725921 CC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)C3=CC=CC=N3 1 2.444 4 2 -4.59644697542752 725911 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F 1 2.775 3 2 -0.78960159007225 725903 CC(=O)/C=C/1\C2=CC=CC=C2NC1=O 1 0.943 1 2 0 -3.8179924907562 725878 CC1=CC(=CC(=C1)OCC2=CC=C(O2)C(=O)O)C 1 3.472 0 4 -4.47639460507204 725875 C1=CC=C2C=C(C=CC2=C1)OCC3=CC=C(O3)C(=O)O 1 3.408 0 4 -1.68190039774044 725872 C1=CC(=C(C=C1Cl)Cl)OCC2=CC=C(O2)C(=O)O 1 3.828 0 4 -2.85522879546754 725863 CCCC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)O)OC 1 3.882 0 5 -7.2242193902704 725826 CCC1=NN=C(S1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.545 3 1 -15.6641950570685 725819 CCC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=CS2)C 1 2.444 2 2 -7.35513260526806 725817 C1COC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)OC1 1 3.082 0 3 -4.91453195441496 725806 CN1C(=C(C=N1)Cl)C(=O)NC2=NC=C(C=C2)Cl 1 2.273 4 1 -2.66324038263932 725789 CN1C(=CC=N1)C(=O)N2CCC3=CC=CC=C32 1 1.836 3 1 0 -15.040666210688 725782 CC(=O)OC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl 1 3.309 0 4 -8.61171721981806 725716 CC1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3O2 1 4.343 0 3 0.132686524666876 725712 C1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=NC=C3)/S2 1 2.175 3 1 -5.44709547630441 725711 CSC1=NC=C(C(=N1)C(=O)O)Cl 1 1.836 2 2 0 -4.35223321414093 725709 CCOC1=CC=C(C=C1)C(=O)CCC(=O)O 1 1.747 0 4 0 -5.62520367562478 725705 CC1=C(C=C(C=C1)OCC(=O)NNC(=O)C2=CC3=CC=CC=C3O2)C 1 3.274 2 4 -4.53247394045557 725702 CC1=CC(=CC(=C1)OCC(=O)NNC(=O)C2=CC3=CC=CC=C3O2)C 1 3.274 2 4 -4.59453530439366 725700 CCC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC3=CC=CC=C3O2 1 3.244 2 4 -4.44616218684731 725699 COC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC3=CC=CC=C3O2 1 2.285 2 5 0 -4.76496683141192 725697 CC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC3=CC=CC=C3O2 1 2.788 2 4 -4.20672405106822 725695 C1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC3=CC=CC=C3O2 1 2.301 2 4 -4.86337106004943 725694 CN(CC1=CC=CC=C1)C(=O)C2=CC3=CC=CC=C3O2 1 3.422 1 2 1.37343717097216 725693 CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN3C=CC=CC3=N2 1 1.634 3 2 0 -4.63025048082731 725692 C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.209 1 2 0.852597507941533 725691 CC1=CC=C(O1)[C@@H]2C(=C(NC(=O)N2)C)C(=O)OC(C)C 1 1.225 2 4 0 -31.6825875723644 725684 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3O2 1 3.413 1 4 -6.46330377146829 725675 COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.193 1 3 0.764698434183144 725666 CC1=CC(=C(C=C1)C)NC(=O)C2=CC3=CC=CC=C3O2 1 4.182 1 2 -0.650505149811989 725663 CC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.695 1 2 1.17766464332728 725661 CC1=CC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.695 1 2 2.82807806591 725660 CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3O2 1 3.695 1 2 -1.46513133489996 725659 C1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3O2 1 3.216 1 2 -3.41383612694287 725658 CC1(CC(=CC(=O)C1)N2CCOCC2)C 1 1.072 1 2 0 -10.3246234806964 725651 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=CC=C3C(F)(F)F 1 4.152 1 2 0.2380757745276 725648 CC(C)C1=NC(=C(O1)N2CCOCC2)C#N 1 1.399 3 2 0 -9.52340126230024 725646 COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3O2)OC)Cl 1 3.841 1 4 -4.86656412215503 725640 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=C(C=C3)F 1 3.415 1 2 1.88954166879254 725639 CCC1=NC(=C(O1)N2CCOCC2)C#N 1 0.936 3 2 0 -9.61006039230849 725638 C1=CC=C(C=C1)NC(=O)CCOC2=CC=CC=C2 1 2.698 1 2 -6.55137282981863 725635 CC(=O)C1=CC(=CC=C1)NC(=O)CCOC2=CC=CC=C2 1 2.438 1 3 -8.77004537904293 725629 COC1=CC=C(C=C1)NC(=O)CCOC2=CC=CC=C2 1 2.681 1 3 -6.5342454532594 725624 CCC1=CC=CC=C1NC(=O)CCOC2=CC=CC=C2 1 3.64 1 2 -8.39040189993329 725623 CC1=CC(=C(C=C1)NC(=O)CCOC2=CC=CC=C2)C 1 3.67 1 2 -8.8640283263761 725622 CC1=CC=C(C=C1)NC(=O)CCOC2=CC=CC=C2 1 3.184 1 2 -6.10168722939703 725621 CC1=CC(=CC=C1)NC(=O)CCOC2=CC=CC=C2 1 3.184 1 2 -4.31143590259268 725619 CC1=CC=CC=C1NC(=O)CCOC2=CC=CC=C2 1 3.184 1 2 -8.83479300240172 725617 C1=CC=C(C=C1)CNC(=O)CCOC2=CC=CC=C2 1 2.705 1 2 -12.392109912475 725611 CC1=CC(=CC(=C1)NC(=O)CCOC2=CC=CC=C2)C 1 3.67 1 2 -6.4904512282271 725607 CCOC(=O)C1=CC(=CC=C1)NC(=O)CCOC2=CC=CC=C2 1 2.902 1 4 -11.3665170383286 725603 COC(=O)C1=CC=C(C=C1)NC(=O)CCOC2=CC=CC=C2 1 2.553 1 4 -9.11582104613405 725601 COC1=CC(=C(C=C1)NC(=O)CCOC2=CC=CC=C2)OC 1 2.665 1 4 -10.6899575482963 725600 COC1=CC(=CC(=C1OC)OC)C(=O)SC2=CC=C(C=C2)Cl 1 4.435 0 4 1.04113308935581 725597 CCC1=CC=CC(=C1NC(=O)CCOC2=CC=CC=C2)C 1 4.126 1 2 -8.94759790615118 725596 C1=CC=C(C=C1)OCCC(=O)NC2=CC=CC=C2F 1 2.903 1 2 -7.52495137342311 725587 CC(C)CC1=NC(=C(O1)N2CCC(CC2)C(=O)N)C#N 1 1.431 4 2 0 -4.75993008757826 725576 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)N 1 2.091 1 2 -4.15672752285231 725562 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=NC=CS3 1 2.046 4 2 -7.68634019694647 725545 CC1=CC(=NC(=C1C#N)SCCN2CCCCC2)C 1 3.463 3 0 -7.30170455909177 725544 CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3CC3)N)C 1 1.751 3 1 0 -7.27700374666014 725542 CCCC1=CC=C(C=C1)C(=O)CCC(=O)O 1 2.813 0 3 -3.29040352524019 725469 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCCN(C)C)Cl 1 2.832 3 2 -0.640063037004516 725467 CCOC(=O)C1=CN=C2C=CC(=CC2=C1N3CCN(CC3)C)Cl 1 3.004 3 2 3.53731444116207 725463 C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CN=CC=C4 1 3.121 4 2 -1.93364261691 725423 CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 2.591 1 4 -9.63450792258124 725416 CC(=O)NC1=CC=C(C=C1)NC2=NC=NC3=CC=CC=C32 1 1.96 4 1 0 2.12228507072105 725415 COC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC=NC3=CC=CC=C32 1 2.718 4 3 0 3.05346594617572 725405 CC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.2 3 1 4.23296050408286 725403 CC1=CC(=C(C=C1)O)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.704 3 1 11.9114688967954 725402 CN1CCC(CC1)N(C)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.2 4 0 7.13489342056816 725400 C1CC(=O)NC2=C1C=C(C=C2)C3=CSC(=N3)N 1 1.473 3 1 0 0.777881245031002 725348 C1=CC=C(C=C1)NCC(=O)NC2=CC=C(C=C2)F 1 2.48 2 1 -6.22985521671254 725347 CC1=C(C=CC(=C1)Cl)NC(=O)CNC2=C(C=C(C=C2)OC)OC 1 3.392 2 3 -8.0126022628532 725345 CCOC1=CC=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)Cl)C 1 3.758 2 2 -7.99345333930425 725337 CC1=CC(=C(C=C1)NC(=O)CNC2=CC=C(C=C2)OC(C)C)C 1 3.957 2 2 -11.1615774899263 725335 CCOC1=CC=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)C)C 1 3.579 2 2 -10.7266085616357 725331 CC1=CC=C(C=C1)NC(=O)CNC2=CC=C(C=C2)OC(C)C 1 3.471 2 2 -8.2368562929356 725314 CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)NC3=CC=CC=C3OC 1 2.288 3 3 -14.7320523654624 725312 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CC(C)C1=CC=C(C=C1)OCC(=O)NCC2=CC=CO2 1 2.832 1 3 -10.1800280107803 723505 CC1=CC(=NC(=N1)NC2=CC=CC3=CC=CC=C32)C 1 2.958 3 0 -1.35457668670554 723484 CC(C)C1=CC=C(C=C1)OCC(=O)NCC2=CC=CC=C2 1 3.651 1 2 -8.84135624101737 723471 CC1=CC(=CC=C1)NC(=S)N2CCCCC2 1 4.451 2 0 -8.73209102160778 723466 CC1(CC(CC(N1C)(C)C)NC(=O)C2=CC=CO2)C 1 1.709 2 2 0 -5.52055008610434 723436 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 2.769 3 1 -1.93548808557805 723433 CC1=C(C=C(C=C1)NC2=CC(=O)CC(C2)(C)C)F 1 3.395 1 1 -10.7699811918932 723431 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 2.734 3 1 -1.36017259050706 723403 C1=CC(=C(C(=C1)F)C(=O)NC2=CN=CC=C2)F 1 1.875 2 1 0 -6.34360587839708 723400 C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F 1 3.557 1 1 -1.14685732583651 723399 COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)Cl)OC)Cl 1 3.91 1 3 -8.94316056260146 723392 COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)Cl 1 3.246 1 3 -10.7446778191791 723386 CC1=C(C=C(C=C1)OCC(=O)NC2=CC=CC=C2F)C 1 3.627 1 2 -5.80644108215831 723379 CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)F)C 1 3.627 1 2 -3.90177427361747 723339 CCOC(=O)C1CCN(CC1)CC2=C(C=CC=C2Cl)F 1 3.449 1 2 -5.27603248434234 723336 C1CCC2(CC1)OC3=C(O2)C=C(C=C3)N 1 2.359 1 2 1.0148345815133 723335 C1CCN(CC1)C(=O)COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3 1 3.043 1 4 -15.3354148083224 723332 COC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2)OC 1 3.176 1 4 -4.29229200992728 723331 CCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O 1 1.991 1 4 0 -16.0351969792917 723330 C1=CC(=CC(=C1)Br)C2=CSC(=N2)N 1 2.775 2 0 9.20735813029743 723319 CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)F 1 3.141 1 2 -3.65380092451367 723312 CC1=CC(=CC=C1)OCC(=O)NC2=CC=CC=C2F 1 3.141 1 2 -4.62608053437859 723307 COC1=CC(=C(C=C1)NC(=O)COC2=CC=CC=C2)OC 1 2.417 1 4 -9.44218228084702 723301 CCOC(=O)C1=CN=C2C(=C3C(=CN2C1=O)CCO3)C#N 1 -0.513 3 4 0 -10.6638858901576 723298 C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)F 1 2.655 1 2 -4.14203493648248 723293 CC1=NNC(=S)N1CC2=CC=CC=C2 1 2.021 3 0 -3.85825709236187 723287 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3F 1 1.704 2 3 0 -8.27700973341931 723279 CC1=CC=CC=C1C2=NN(N=N2)CC3=C(C=C(C=C3)F)Cl 1 4.444 4 0 5.39921179959483 723263 CC(C)COC(=O)CNC1=NNC(=S)NC1=O 1 0.484 4 3 0 -17.9479247856793 723252 C1COC2=C(O1)C=C3C(=CC(=O)NC3=C2)C4=CC=CC=C4 1 2.516 1 3 -2.60430117966244 723245 C1=CC=C(C=C1)C2=CSC(=N2)CNC(=O)C3=CC=CC=C3 1 3.217 2 1 -2.61036606383883 723234 COC1=CC=C(C=C1)OCC(=O)N 1 0.651 1 3 0 -4.49690592077041 723221 CC1=C(C2=CC=CC=C2N1)C(=O)CCl 1 2.541 1 1 0.339346184757712 723219 C1COC2=C(O1)C=CC(=C2)NC(=O)CC(=O)C3=CC=CC=C3 1 2.321 1 4 -7.20732912545724 723211 C1=CC=C(C=C1)NC(=O)CSC2=NC=CC=N2 1 1.75 3 1 0 -8.84550958689773 723174 C1CCN(CC1)C2=C3C4=C(C=C2)C(=O)NN=C4C5=CC=CC=C5C3=O 1 3.151 3 2 -5.73399504846567 723173 C1CCC2=C(C1)C3=C(N=CN=C3S2)N4C(=C(C=N4)C#N)N 1 2.517 6 0 -10.6510286762589 723172 CC(C)(C)C1=NC2=C(C3=C(S2)CCCC3)C(=O)O1 1 4.192 1 2 -10.8943474346884 723168 C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)O)C3=CC=CS3 1 4.066 1 2 0.100747933392037 723164 CC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3 1 0.382 4 1 0 -1.53145647401864 723161 CC1=CC(=C2C(=C1)C(=CC(=O)N2)C3=CC=C(C=C3)[N+](=O)[O-])C 1 3.597 2 3 -3.16770875936634 723158 C1CCCN(CC1)CC(=O)NC2=C(C=CS2)C#N 1 1.995 3 1 0 -9.78753991164957 723157 C1=CC(=C(C=C1C(=O)NC2=C(C=CS2)C#N)[N+](=O)[O-])Cl 1 2.838 3 3 -11.7531699791559 723149 CCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1N 1 2.309 3 1 -3.10845003632135 723142 C1CCN(CC1)CC(=O)NC2=C(C=CS2)C#N 1 1.539 3 1 0 -9.78753991164957 723140 C1CC1C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 2.532 2 1 -3.66787714416387 723133 CC1=CC(=NC2=C1C=CC(=C2)OC)SC3=NN=NN3C4=CC=CC=C4 1 4.572 5 1 -6.22824118546127 723113 C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)N)C4=NC5=C(N4)C=C(C=C5)N 1 3.218 6 0 7.18981257608422 723111 CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2Cl 1 3.765 1 1 -3.95366532420553 723108 CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C 1 3.481 2 3 -7.86276939699389 723105 CC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2 1 3.428 1 1 -7.0201947802049 723087 CCOC1=CC=C(C=C1)C(=O)NN2C(=CC(NC2=S)(C)C)C 1 2.808 3 2 -9.14008318568216 723077 C1CC1C(=O)NN(C2=NC3=CC=CC=C3S2)C(=O)C4CC4 1 2.466 3 2 -6.59357820421371 723068 C1COCCN1C(=S)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.454 2 4 -2.82172630255941 723067 CC1=CC=CN2C1=NC(=C(C2=O)C=O)N3CCCCC3 1 1.484 3 2 0 -10.5549404640263 723065 CC1=CC=CN2C1=NC(=C(C2=O)C=O)NC3=CC=CC=C3OC 1 1.869 3 3 0 -9.82996843015426 723044 C1=CC=C2C(=C1)C(=CC=N2)C3=NC4=CC=CC=C4N3 1 3.456 3 0 3.72797195138897 723043 C1=CC=C2C(=C1)C=CC(=N2)C3=NC4=CC=CC=C4O3 1 3.895 2 1 7.20560622197825 723041 CC1=CC(=O)N=C(N1)S/C=C/C2=CC=CC=C2 1 2.486 2 1 -9.15912893609935 723038 CC1=C(C(=NN1C(=O)C2=CN=CC=C2)C)SC3=CC=CC=C3 1 3.324 3 1 -1.67653329605629 723036 CCN(CC)C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C 1 1.003 3 2 0 -12.8478460476909 723035 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)OC 1 0.746 2 3 0 -8.63561213992631 723033 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N 1 2.673 3 2 -16.5900378152223 723032 CC1=C(C(=NN1)C)SC2=CC=C(C=C2)[N+](=O)[O-] 1 2.714 3 2 2.65001514804475 723005 C1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)O 1 0.164 1 4 0 -1.02880186951234 722997 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 1.111 2 4 0 -12.1855225159276 722995 C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 3.122 2 3 -11.4970226968206 722989 C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 3.076 2 3 -10.3239957098668 722985 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CN=CC=C3 1 2.232 3 3 -10.7605867915654 722976 CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3 1 3.839 2 2 -8.99240939657133 722972 C1=COC(=C1)CNC(=S)NN 1 0.653 3 1 0 -7.36014260265011 722971 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 2.778 2 4 -7.87157358318359 722970 CC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 3.28 2 3 -9.10202451077134 722969 CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 3.28 2 3 -5.6683560472351 722939 C1COCCN1C2=NC3=CC=CC4=C3C2=CC=C4 1 1.847 2 1 0 0.173504901017911 722912 C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CN=CC=C3 1 1.99 2 2 0 -6.8058609846842 722911 C1=CC=C2C(=C1)C(=O)N=C(N2)C3=CC=NC=C3 1 1.343 3 1 0 -4.41595681722701 722910 COC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C4=CC=CS4 1 4.213 2 2 -8.21484531762088 722909 C1CCC2=C(C1)C3=C(S2)N=CN4C3=NNC4=S 1 2.984 4 0 -14.8680154851271 722908 CC1=CC(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CS4 1 4.715 2 1 -4.80261732953987 722907 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)F)C(=O)O 1 3.619 1 3 -10.325255440912 722895 C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4 1 3.671 2 2 -3.59182367517883 722889 C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)O 1 3.199 1 5 -4.60636773443815 722884 C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)OC3=CC=CC=C3)O 1 3.804 1 4 -6.50350493565776 722876 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N 1 2.001 3 1 -3.8869838480953 722875 COC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4 1 4.259 2 2 -6.00317291245293 722866 COC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=N3 1 2.66 3 3 -13.1476208672584 722856 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.468 1 2 -0.880870987203162 722854 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=CO2 1 1.639 1 4 0 -6.65700368468656 722833 CC1=CC=C(C=C1)NC(=S)N 1 2.566 2 0 -1.81072045329452 722813 C1CCC(CC1)NC(=S)NN 1 1.746 3 0 0 -6.05734904604132 722802 C=CCN1C(=NC2=C(C1=O)C=NN2C3=CC=CC=C3)CC4=CC=CC=C4 1 3.702 4 1 -10.1634620584112 722801 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)O2 1 3.978 3 2 -3.63331176419582 722799 C1=CC=C(C=C1)N2C(=C(C=N2)C#N)NC(=O)C3=CC=CC=C3F 1 3.05 4 1 -8.01153962164274 722796 CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=CC=C3 1 3.895 2 1 -6.39010708324507 722777 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)OC)OC3=CC=CC=C3 1 2.856 0 6 -8.68908442194742 722776 C1=CC(=C(C(=C1)Cl)NC(=S)N)Cl 1 3.409 2 0 -0.693418432518658 722761 CCC1=NN=C(S1)NC(=O)CC(=O)OCC 1 0.736 3 3 0 -13.7340749761098 722757 C1=CC=C(C=C1)CC(=O)NNC(=S)NC2=CC=CC=C2 1 3.309 3 1 -8.78961282070083 722750 C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.045 2 3 0 -9.02190517014648 722718 COC1=CC2=C(C=C1)C(=CC(=O)N2)C3=CC=CC=C3 1 2.714 1 2 -0.782432389114756 722717 C1CC2=C(C1)SC3=NC=NC(=C23)NN 1 1.854 4 0 0 -1.8032933833751 722715 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN=CC=C3)C(=O)N 1 1.636 3 2 0 -13.2342076764225 722701 CCOC(=O)/C(=C/N1CCOCC1)/C#N 1 5.1e-002 2 3 0 -9.53330365427545 722640 C1=CC(=C(C=C1NC(=O)NC2=NC=CS2)Cl)Cl 1 2.848 3 1 -2.56683279098213 722611 CC1=CC=C(C=C1)S(=O)(=O)NNC2=NCCCCC2 1 1.824 3 2 0 -8.72250617718737 722608 C1CCC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC1 1 2.951 2 1 -4.84150409471468 722605 C1COCCN1C2=NC(=O)/C(=C/C3=CN=CC=C3)/S2 1 0.945 3 2 0 -7.90068540643993 722599 C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C(=O)N3N=C2Cl 1 2.961 3 1 -3.19795081564867 722597 CC1=C(SC2=C1C(=O)N(C=N2)N)C(=O)OC 1 0.678 3 3 0 -14.1650717617888 722579 C1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC=CC=C3Cl 1 5.454 1 1 2.99970432413042 722566 CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)C 1 3.041 1 4 -9.26322814383962 722560 C1CN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.789 2 3 -11.6822248219513 722537 C1=CC=C2C=C(C=CC2=C1)N3C(=C(C=N3)C(=O)N)N 1 1.345 4 1 0 -0.416740865110529 722533 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CN=CC=C3 1 0.952 2 4 0 -6.99625660503364 722524 C1=CC=C(C=C1)C(=O)NCC2=CC=CS2 1 2.361 1 1 -10.6715910718411 722518 CC1=C(C(=NN1CC(=O)O)C)[N+](=O)[O-] 1 0.283 3 4 0 -6.9313383136205 722503 C1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C1 1 2.595 2 1 -4.15167218837782 722499 CCOC1=C(C=CC2=C1SC(=C2C(=O)OCC)N)Br 1 3.354 1 3 -1.55664405957687 722485 CC1=C(C=C(C=C1)C2=NN3C=NN=C3C4=CC=CC=C42)C 1 3.985 4 0 0.7090632607732 722483 C1CCC2=C(C1)C3=C(N=CN=C3S2)N4CCOCC4 1 2.884 3 1 -6.58158787608701 722475 C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=CC=CC=N4)S3 1 3.279 3 1 -6.47214799578867 722472 C1=CC(=CC=C1C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Cl 1 4.243 3 3 0.531726991288483 722463 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CN(N=C2C)C 1 1.805 4 2 0 0.808721244748557 722460 CC1=NN=C(S1)SCC(=O)C2=CC=C(C=C2)Br 1 3.11 2 1 -10.8719153870552 722456 CC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)OC 1 2.207 2 3 -13.6882505316368 722455 CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCCC3 1 3.07 3 1 -9.36252585537654 722425 C1=CC=NC(=C1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O 1 2.993 4 2 -6.53673044238449 722399 CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1N=CC4=CN=CC=C4 1 2.699 4 1 -12.979959489707 722398 CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)N=CC3=CN=CC=C3)C 1 2.219 4 3 0 -13.4557848821587 722395 C1CCN(C1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 3.024 2 1 -0.489212282997049 722385 CCN1C(=NC2=C1C=CC(=C2)C#N)C 1 2.039 3 0 -1.79235198826872 722371 C1=CC(=CC=C1C2=CSC(=N2)N)F 1 2.233 2 0 7.8901696759375 722364 CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)N=CC3=CC=CC=N3)C 1 2.647 4 3 0 -13.1029188378407 722361 CC1=C(C2=CC=CC=C2N1)C(=O)CN3CCCC3 1 2.475 2 1 0.555674236682745 722355 CCN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2Cl 1 3.833 1 1 -6.56814778433805 722352 C1CCC2=C(C1)C(=C(S2)NC(=O)/C=C/C3=CC=CO3)C#N 1 3.526 2 2 -17.6273857937557 722350 CC1=CC(=S)NC2=CC=CC=C12 1 3.07 1 0 -3.14754823607981 722342 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 4.185 2 1 1.57410593249549 722333 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=CC=C3)Cl 1 4.015 1 1 -5.35501575359102 722331 CC1=CC(=NC2=CC=CC=C12)N3C(=CC(=N3)C)N 1 2.928 4 0 1.3524399835383 722328 C1CSC(=N1)SCC2=CN3C=CC=CC3=N2 1 2.398 3 0 -8.64632344922738 722311 C1=CC2=CN=C(N2C=C1)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.411 3 2 0.960936419293114 722307 C1=CC2=CN=C(N2C=C1)C3=CC=C(C=C3)F 1 2.722 2 0 4.99875443816409 722284 CC1=CC=CC2=NC(=CN12)COC3=C4C(=C(C=C3)Cl)C=CC=N4 1 3.486 3 1 -2.00664187011145 722261 CC1=CC=CN2C1=NC(=C2)COC3=CC=CC(=C3)[N+](=O)[O-] 1 2.733 3 3 -6.79774925884264 722255 C1CC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=CC=C3 1 2.957 1 3 -11.523969913002 722251 C1=CC=C2C(=C1)N3C(=NN=C3SCC(=O)NCC4=CC=CO4)S2 1 2.873 4 2 -18.5068071389545 722242 C1CCCN(CC1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 3.936 2 1 -0.843680797165128 722231 CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 0.69 2 4 0 -15.4373811440579 722225 CCOC1=CC2=C(C=C1)N=C(S2)NN=C3C(=O)CC(CC3=O)(C)C 1 2.792 3 3 -6.77779826041132 722214 C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)C4=CC=CC=C4 1 4.464 2 0 2.74056370725776 722201 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C=C/C2=CC=CO2 1 3.1 1 4 -12.4255096827734 722193 CCOC(=O)CC1=CSC2=NS(=O)(=O)CCN12 1 0.125 2 4 0 -14.3639278483996 722190 CC(=O)C(C(=O)C)SC1=NC=NC2=C1C3=C(S2)CCCC3 1 3.089 2 2 -11.1655556228078 722169 C1CCC2=C(C1)C=CC3=C2SC4=NS(=O)(=O)CCN34 1 3.271 2 2 -7.25362202798036 722162 CCOC(=O)C1=C(N(N=C1)C2=NC=C(C=C2)C(F)(F)F)N 1 1.969 4 2 0 -2.52796602184553 722147 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C4N3C=CC=C4 1 2.11 4 3 0 -19.7828121888596 722140 C1=CC=C2C(=C1)C3=NN=NN3C(=N2)C4=CC=NC=C4 1 0.799 6 0 0 -3.91612085294956 722122 C1CS(=O)(=O)N=C2N1C=C(C=C2Br)Br 1 -0.205 2 2 0 -4.23629608066183 722121 CC1=CSC2=NS(=O)(=O)CCN12 1 0.169 2 2 0 -7.89691924333683 722105 CCOC(=O)C1=C(C(=C(S1)SC)C(=O)C)C 1 2.88 0 3 -8.56095256958129 722098 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.84 2 3 -3.00517597222458 722094 C1=CC(=CC(=C1)NC(=O)CCC(=O)O)C(=O)NC2=CC(=CC=C2)Cl 1 2.244 2 4 -11.0400793679339 722048 CC1=C(SC(=C1C(=O)N)N)CC2=CC=CC=C2 1 2.202 2 1 3.20647747813512 722034 C1=CC(=C(C=C1NC(=O)CCC(=O)O)Cl)Br 1 2.208 1 3 -7.51518895754639 722013 COC(=O)CCC(=O)NC1=CC(=CC(=C1)Cl)Cl 1 2.35 1 3 -12.2812975439716 722000 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CCC(=O)O 1 1.58 2 4 0 -14.7129947704579 721996 CC1=CC(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.907 3 3 0 -4.05185680068155 721989 COC(=O)CCC(=O)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2 1 1.806 2 4 0 -18.5978986885985 721987 COC(=O)CCC(=O)NC1=CC=CC=C1C(=O)N 1 2.3e-002 2 4 0 -16.5652657842222 721956 COC(=O)CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] 1 0.915 2 5 0 -15.26470247948 721955 COC(=O)CCC(=O)NC1=CC=C(C=C1)NC(=O)CCC(=O)OC 1 0.212 2 6 0 -14.0350016872524 721948 C1=CC(=CC=C1C#N)NC(=O)NC2=CC=C(C=C2)Cl 1 3.066 3 1 -2.94418642845018 721946 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OC 1 1.225 1 5 0 -17.5600467049569 721945 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)Cl 1 2.513 3 2 -3.95513726094033 721943 CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)Cl 1 2.927 2 2 -4.03312980957617 721931 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.513 2 3 -4.5115764006624 721894 CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)C3=CC=CS3 1 4.539 1 2 -10.3813036926646 721887 C1COCCN1CC2=CC(=C(C3=C2C=CC=N3)O)[N+](=O)[O-] 1 1.43 3 4 0 1.88962955406617 721881 CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N 1 3.934 2 1 16.0781731214497 721879 CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N 1 3.02 2 1 13.5000389723384 721863 CC1=C(SC(=C1C(=O)C)SC)C(=O)O 1 2.305 0 3 -5.87177246551727 721838 C1=CC=C(C(=C1)C2=CC=C(O2)C=O)OC(F)(F)F 1 4.914 0 3 2.16019912581859 721830 C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3N2 1 3.072 3 1 -11.2182903147087 721827 C1=CC=NC(=C1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.291 3 3 -11.9750944961897 721818 C1=CC2=C(C(=C1)SC3=C(C=C(C=C3)Cl)[N+](=O)[O-])N=CC=C2 1 4.693 2 2 1.70627561789274 721814 CC1=C(C(=CC=C1)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 3.305 2 4 -10.2147181312703 721807 COC1=C(C=C(C=C1)C(=O)NC2=NC=CS2)OC 1 1.579 2 3 0 -11.0187809039593 721806 C1CCC(CC1)NC(=O)NC2=CN=CC=C2 1 1.653 3 1 0 -7.10610769559991 721803 C1CCC(CC1)NC(=S)NC2=CC=CC=N2 1 3.759 3 0 -6.2436802795144 721796 C1=CC=C(C=C1)C=NNC(=O)CSC2=NNC(=O)NC2=O 1 0.474 5 3 0 -22.2147946482924 721793 COC(=O)CCC1=NNC(=O)NC1=O 1 -0.844 3 4 0 -23.7862255309679 721786 CC1(OC(=O)C(=CNC2=CC=CC=C2OC)C(=O)O1)C 1 1.211 1 5 0 -7.31461230878466 721684 CC1=CC2=C(C=C1)C(=CC(=O)N2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.111 2 3 -2.51014861739412 721677 CC1=CC=CC(=N1)C=NNC(=O)CNC2=CC=CC3=CC=CC=C32 1 2.812 4 1 -6.80035333330958 721655 C1CSCCN1C(=O)C2=CC(=NN2)[N+](=O)[O-] 1 0.845 4 3 0 -6.8895151827389 721647 CCOC(=O)C1=C(N2C(=C(C=N2)C#N)N=C1)N 1 -2.2e-002 5 2 0 -12.0936463983567 721646 CCOC(=O)C1=C2N=CC(=C(N2N=C1)N)C#N 1 -2.2e-002 5 2 0 -12.9438914305326 721643 CC1=CC(=NC2=C(C(=O)NN12)Br)C3=CC=CC=C3 1 1.981 3 1 0 -1.72194389064886 721619 CC1=C(C(=NN1CC(=O)C2=CC=CC=C2)[N+](=O)[O-])Br 1 3.063 3 3 -6.08981231250912 721606 C1=C2N=CC(=CN2NC1=O)C3=C(C=NN3)[N+](=O)[O-] 1 -0.629 6 3 0 -6.81648422750351 721596 CC1=C(C2=C(C(=N1)C)C(=O)OC3=CC=CC=C32)C(=O)OC 1 2.22 1 4 -6.7328262591973 721568 C1=CC2=C(NN=C2C=C1)Br 1 2.178 2 0 1.92223360014098 721518 CC(=NNC(=S)SC)C1=CC=C(C=C1)Br 1 3.971 2 0 -3.16609360073343 721517 CC(=S)/C=C\1/N(C2=CC=CC=C2S1)C 1 3.591 1 0 3.04914796676802 721497 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CO3 1 3.383 1 4 -14.6082947950096 721475 C1=CC=C(C=C1)OCC(=O)NCCC2=NC3=CC=CC=C3N2 1 2.413 3 2 -9.09124740300183 721416 CC(=O)N1C2=CC=CC=C2NC3=CC=CC=C31 1 2.453 2 1 -5.48466069103461 721391 C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 1.266 2 5 0 -9.81031515465511 721388 CC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.238 2 4 0 -9.52210373903913 721377 CC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=CC=C2 1 2.189 1 3 -7.52227011159362 721373 C1=CC=C(C(=C1)C(=O)NC2=NN=CS2)Br 1 1.837 3 1 0 -7.53713060486182 721362 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)OCO3 1 2.613 3 3 -9.6780332931127 721357 COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CO2 1 1.865 1 4 0 -7.13742960660394 721354 CC1=C(C(=O)N=C(N1)NC(=O)C)OC2=C(C=C(C=C2)Cl)Cl 1 2.139 3 3 -6.83713253775338 721347 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CN=CC=C2)Cl 1 1.385 3 2 0 -8.35765393176799 721345 CC1=NC=C(C=C1)C(=O)NN=CC2=CC=CC=N2 1 1.093 4 1 0 -6.68196739493333 721338 COC1=CC=C(C=C1)CCNC(=O)C2=CC=CO2 1 2.321 1 3 -6.43510850964005 721333 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CN=CC=C3)Br 1 2.049 3 3 -7.54247025151874 721327 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC=CC=N3)Cl 1 2.393 3 3 -5.8088267897878 721319 C1=CC=C(C=C1)CC(=O)NN=CC2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-] 1 3.78 4 3 0 -5.65443058061526 721318 C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)Br 1 2.551 1 2 -9.03216466643752 721309 CC1=CC=CC=C1NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 2.233 2 3 -11.4849003702045 721308 COC1=CC=C(C=C1)C(=O)NC2=NC=CS2 1 1.595 2 2 0 -6.46077676349698 721301 CC1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.985 2 3 0 -9.58685136239793 721294 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCOCC3 1 1.283 1 5 0 -12.5992205360685 721293 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3CCCCC3 1 3.247 1 4 -12.1436918208078 721291 C1=CC=C(C=C1)CN(C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CO3 1 3.693 2 4 -7.51461417927886 721272 COC1=CC=C(C=C1)OCC(=O)NC2=NC=CS2 1 1.43 2 3 0 -6.81845670721584 721269 COC1=CC=CC=C1NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.73 2 4 0 -12.4519223417675 721262 COC1=CC=CC=C1NC(=O)COC2=CC=CC=C2 1 2.433 1 3 -8.48299675788037 721260 CCOC(=O)C1=C(NC(=S)C(=C1)C#N)C 1 1.286 2 2 0 -11.3588901772627 721254 COC1=CC=C(C2=CC=CC=C21)NC(=O)C3=CC=CO3 1 2.901 1 3 -4.67877095286215 721205 C1=CC2=C(C=C1F)C(=O)C(=CN2)C(=O)O 1 1.008 1 3 0 -3.45933726250484 721195 CCOC1=CC=C(C=C1)C(=O)N2CCCC2 1 2.037 1 2 -5.66171686347536 721180 CC1=CC=C(O1)/C=C/C(=O)NC2=CC=CC3=C2N=CC=C3 1 2.809 2 2 -5.32469813263645 721139 C1=CC(=CC=C1NC(=O)CCl)S(=O)(=O)NC2=NC=CS2 1 0.967 3 3 0 -10.6117804065969 721136 CCOC1=CC(=CC(=C1)C(=O)O)OCC 1 2.124 0 4 -3.9971422267973 721135 COC1=C(C=C(C=C1Cl)C(=O)O)Cl 1 2.772 0 3 -1.25913136283906 721129 C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC(=CC4=N3)N 1 3.334 4 0 2.37906761451839 721127 C1=CC(=CC=C1N2N=C3C=CC(=CC3=N2)N)F 1 2.631 4 0 3.71104102775274 721123 CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N 1 2.354 2 1 -5.97056202260429 721121 C1=COC(=C1)C(=O)NC2=C(C=C(C=C2)N)Cl 1 1.927 2 2 0 -0.954236773314516 721117 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)N 1 1.263 2 2 0 -2.42971214278035 721114 C1=CC(=CC=C1N2N=C3C=CC(=CC3=N2)N)Cl 1 3.09 4 0 4.82116269287431 721106 CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)N 1 2.758 4 1 1.81997464143533 721095 CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)N 1 2.911 4 0 2.99916400228749 721094 CCSC1=NC(=C2C(=C(SC2=N1)C)C)N 1 2.947 3 0 -1.7944779865339 721090 C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)N 1 2.425 4 0 2.33267149169986 721069 C1=CC(=CC(=C1)Br)C2=NC3=C(O2)C=CC(=C3)N 1 3.282 2 1 14.8511206698579 721067 CC1=CC(=NC(=N1)N2CCOCC2)N3CCN(CC3)C4=CC=CC=C4 1 1.795 5 1 0 0.376607191672286 721063 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)C 1 3.613 3 2 -5.00798751767379 721062 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)OC 1 2.297 3 1 -4.9552250480861 721060 CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)NCC3=CC=CC=C3 1 3.712 4 0 2.44014972568379 721057 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)N3CCOCC3 1 1.543 4 1 0 -3.03437756126191 721046 CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=CC(=C4)C(=O)O 1 3.244 5 2 0 4.15890816582085 721040 CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N)C 1 3.506 2 1 14.6964595229443 721026 CC1=CC2=C(C=C1)N=C(O2)C3=CC(=CC=C3)N 1 3.02 2 1 12.4232594352665 721015 CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)C 1 3.53 3 2 2.69280625825704 721013 CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)C 1 3.53 3 2 2.12963798308322 721011 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)N 1 3.01 3 0 7.3931689109332 721008 CC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)OC 1 3.31 3 1 8.02092326218996 721007 CC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC=C3OC 1 3.31 3 1 6.37619932788863 720999 C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)N 1 3.092 2 0 9.95857544553068 720990 C1=CC=C(C=C1)COC(=O)CSC2=NN=C(O2)C3=CC=CC=C3 1 3.503 2 3 -11.7016217128216 720985 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC(=CC=C3)N 1 2.631 1 2 5.02629641623026 720967 C1COCCN1C(=O)NC2=CC(=O)C3=CC=CC=C3O2 1 1.079 2 4 0 -7.20723673542043 720957 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)O 1 2.414 1 2 -0.579812009441855 720949 COC1=CC=CC=C1NC2=C3CCCC3=NC4=CC=CC=C42 1 4.614 2 1 4.27807680729943 720937 C1=CC=C2C(=C1)C=CC=C2CSC3=NC=NC4=C3NC=N4 1 3.335 4 0 -3.53036822339538 720934 C1CC2=C(C3=CC=CC=C3N=C2C1)NCC4=CC=CO4 1 3.654 2 1 1.89158529927687 720933 C1=NC2=C(N1)C(=NC=N2)SCC(=O)O 1 0.324 4 2 0 -10.6373564499822 720920 C1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=CC=C3 1 3.513 3 1 -5.47521683163523 720918 C1CC[C@H]2[C@H](C1)NC(=S)N2 1 1.907 2 0 0 -2.2479365199268 720916 C1CCC(CC1)N2C3=CC=CC=C3N=C2SCC(=O)O 1 3.974 2 2 -13.3063002115477 720910 C=CCN1C(=NNC1=S)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.613 4 2 -9.89146401511945 720898 CCN1C2=CC=CC=C2N=C1SCC(=O)O 1 2.465 2 2 -10.2804586464892 720893 CCOC(=O)/C(=C/C1=CC(=C(C=C1)OC)OC)/C#N 1 2.308 1 4 -11.9323218525638 720882 CC1=C(SC(=N1)N)C(=O)C 1 0.394 2 1 0 -0.347119985607537 720880 C1CCC(CC1)SC2=NC3=CC=CC=C3N2CCO 1 3.953 2 1 0.376409395004775 720878 CCSC1=NC2=CC=CC=C2N1 1 2.777 2 0 -1.56155953979156 720863 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C 1 1.642 2 4 0 -17.3891086192216 720822 C1=CC=C(C=C1)CCC2=NNC(=S)N2CC3=CC=CC=C3 1 4.176 3 0 -4.95906612432904 720792 C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.837 2 3 -11.5685048381801 720771 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=O)C4=CC=CS4 1 3.55 3 2 -0.446524242088023 720755 C1=CC=C(C=C1)COCC(CO)(CO)N 1 -0.389 1 3 0 -0.998018032535711 720720 CCN(C1CCCCC1)C(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 3.464 1 4 -10.4563174870281 720714 COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O 1 2.611 1 5 -9.71487659561071 720699 CC1=C(C(=O)OC2=NNC(=C12)C)CCO 1 1.151 2 3 0 -1.99241300153779 720676 CC1=C(C=C(C=C1)OCC2=NNC(=S)N2C3=CC=CC=C3)C 1 4.486 3 1 -4.87986334278389 720669 C1C2=C(C=CC(=C2)N)C(=O)O1 1 0.692 1 2 0 -0.541118773966459 720665 CCC(CC)C1=NC(=O)C2=CC=CC=C2N1 1 2.871 2 1 -5.80285097514419 720660 CCN1CCN(CC1)C2=NC=NC3=C2C=C(C=C3)Br 1 2.524 4 0 8.41039237790481 720658 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 0.528 2 3 0 -17.7470158005549 720656 C1COCCN1C2=NC(=CS2)C3=CC=C(C=C3)Br 1 2.752 2 1 2.43708570877913 720655 CN1CCN(CC1)C2=NC=NC3=C2C=C(C=C3)Br 1 2.175 4 0 10.0170482813557 720648 CNC(=S)NNC(=O)CC1=CC=CC=C1 1 1.454 3 1 0 -10.8957236285366 720645 C1=CC=C(C=C1)CNC2=NC=NC3=C2C=C(C=C3)Br 1 3.595 3 0 4.20546026362517 720639 C1=CC(=CC=C1NC2=NC=NC3=C2C=C(C=C3)Br)Cl 1 4.253 3 0 10.7430825947016 720635 C1=CC(=CC(=C1)Cl)NC2=NC=NC3=C2C=C(C=C3)Br 1 4.253 3 0 11.9228565081312 720633 CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)Br 1 4.074 3 0 11.0616328047549 720628 CN(C1=CC=CC=C1C(=O)OC)S(=O)(=O)C 1 0.802 1 4 0 -10.7930761951285 720617 CC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C(=O)OC 1 3.181 3 2 3.46686812626823 720615 CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.22 4 2 6.21932302128624 720610 CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)C)C 1 4.298 3 0 8.25058140967114 720609 CC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC=C3 1 3.326 3 0 8.27723533296076 720541 CCOC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3CCCCC3)Cl 1 3.46 2 3 -4.93473376990561 720545 CC1=C(SC=C1)C=C2C(=O)C3=CC=CC=C3C2=O 1 3.675 0 2 -0.702524906025756 720559 C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3OC2=O 1 2.801 1 3 -4.18314684665136 720561 C1=CC(=CC=C1NC2=NNC(=N2)N)Cl 1 1.483 5 0 0 3.85688985940028 720585 CS(=O)(=O)NC1=C2C=CC=C3C2=C(CC3)C=C1 1 2.25 1 2 -1.4591256029649 720583 CN(C1=CC=CC2=C1N=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.709 2 2 -8.42812653260618 720576 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3 1 2.314 2 3 -18.6085631858189 720565 C1=CC=C(C(=C1)NC(=O)CSC2=CC=C(C=C2)F)Br 1 3.962 1 1 -5.47719302167688 720536 COC1=CC=CC=C1NC2=C(C(=O)N(C2=O)C3CCCCC3)Cl 1 3.111 2 3 -6.55263842639044 720529 CC(C)(C)C1=NN(C(=C1)C(=O)O)C 1 2.23 2 2 -4.53530695528532 720528 CN1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC(=CC=C3)Cl)Cl 1 2.149 3 2 2.92705891141876 720524 CCOC1=C(C=C(C=C1)C2=CN3C=CC=CC3=N2)[N+](=O)[O-] 1 2.744 3 3 -3.09919051994899 720520 C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)Cl)Cl 1 3.565 2 2 -2.17664831752401 720519 CCOC1=CC=C(C=C1)C2=CN3C=CC=CC3=N2 1 2.849 2 1 0.173044353557375 720510 C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3Cl)Cl 1 3.565 2 2 -2.41136253697545 720508 C1CC2=CC=CC3=C2N(C1)C(=O)C4=C3OC(=CC4=O)O 1 1.641 1 4 0 -2.84517593226384 720506 CCOC1=C(C=C(C=C1)CN2C=CN=C2)[N+](=O)[O-] 1 1.733 3 3 0 -2.31116977627405 720501 COC1=C(C=C(C=C1)C2=CSC3=NCCN23)[N+](=O)[O-] 1 1.707 3 3 0 -5.6393559687848 720498 COC1=C(C=C(C=C1)C2=CSC3=NCCN23)Cl 1 2.477 2 1 -1.40680121534759 720487 CC(C)OC1=CC=C(C=C1)CSC2=NC=NN2 1 2.966 3 1 -10.0484438836299 720475 CC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)Br)C 1 3.048 2 1 -5.1996257607771 720474 CC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.167 3 1 -5.62888250108236 720452 COC1=CC=CC=C1CC(=O)NC2=C(C=C(C=C2)F)F 1 3.044 1 2 -6.9996721067285 720438 C1CCN(CC1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl 1 2.452 2 2 1.36412027784481 720436 CCOC(=O)C1CCN(CC1)C(=O)CC2=CC=CC=C2OC 1 1.938 1 4 0 -13.2438806214462 720432 C1=CC=C(C=C1)CN2C3=CC=CC=C3OC2=O 1 3.129 1 2 1.07357426958342 720388 COC1=C(C=C(C=C1)CC(=O)N2CCOCC2)OC 1 0.933 1 4 0 -13.7478473015462 720370 COC1=C(C=C(C=C1)CC(=O)NCC2=CC=CO2)OC 1 1.805 1 4 0 -15.1631775040394 720366 COC1=C(C=C(C=C1)CC(=O)N2CCCC3=CC=CC=C32)OC 1 3.353 1 3 -13.056368177586 720315 COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NCC3=CC=CC=C3 1 2.559 2 3 -5.9958180920926 720298 CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3 1 3.387 2 2 -3.18251800659235 720263 C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3)Cl 1 2.901 2 2 -3.44382120173459 720252 CCOC1=CC=CC=C1NC2=C(C(=O)N(C2=O)C3=CC=CC=C3)Cl 1 3.179 2 3 -7.77741095930875 720237 C1COCCN1C2=C(C(=O)N(C2=O)C3=CC=CC=C3)Cl 1 1.215 2 3 0 -5.03290732444736 720233 C1=CC=C(C(=C1)CN2C(=O)C(=C(C=N2)Cl)Cl)Cl 1 2.886 2 1 5.99726456752918 720227 CC(=O)NC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.069 2 4 -2.76083941542178 720218 C1COCCN1C2=CC=C(C=C2)NC(=O)CC3=CC=CS3 1 2.452 2 2 -8.47760896155054 720215 C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)SC(F)F 1 4.013 1 1 -6.28497433794195 720205 CC1(CC2=CC=CC=C2C(=N1)C(=O)C3=CC=CC=C3)C 1 4.037 1 1 -2.82813242487019 720197 C1OC2=C(O1)C=C(C=C2)/C=C(\C#N)/C(=S)N 1 1.774 2 2 0 -7.11651340966128 720194 C1CN(CCN1CC2=C(C(=O)C=C(O2)CO)O)C3=CC=CC=C3 1 0.822 2 4 0 3.47211771191295 720175 CC1=NC(=C(C(=C1)COC)C#N)NCCC2=CC=CC=C2 1 2.897 3 1 -4.84816736776318 720162 CC(C)(C)C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC 1 2.207 1 5 -18.1992716784439 720155 CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)C(=O)NC3=CC=CC(=C3)C 1 4.371 2 2 -4.81407983488583 720149 CC1=NC(=CC=C1)NC(=O)C2=CC(=CC=C2)C(=O)NC3=CC=CC(=N3)C 1 2.741 4 2 -5.86486571070102 720140 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Cl 1 3.449 2 1 1.69941273747898 720122 CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 2.771 1 3 -5.03376563479792 720118 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)Cl 1 3.743 2 1 1.96685722768038 720106 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2 1 0.294 3 3 0 -7.02986998951516 720105 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2 1 0.509 3 3 0 -9.4300725460583 720097 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32 1 2.174 2 3 -18.7498119048942 720070 CC(C)N1C2=CC=CC=C2NC1=S 1 3.616 2 0 -3.04633300078737 720057 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NN=CC2=CC=NC=C2 1 1.262 4 4 0 -8.87694926680314 720055 CC1=CC=C(C=C1)N2CN=C3N(C2)C(=O)C(=CC4=CC=CC=N4)S3 1 3.766 4 1 -12.5493318945407 720052 CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC(=CN=C2)Br 1 3.072 3 1 -8.66931726947407 720040 COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CN=C2)Br 1 2.067 2 3 -10.731693448365 720004 CCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)OC 1 1.999 3 2 0 -13.2951183127405 719993 C1CCC(CC1)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3 1 3.782 2 2 -8.82788701164293 719990 C1=CC=C(C=C1)NCC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 3.936 3 1 -6.24785129763078 719986 C1=CC=C(C=C1)C2=NC3=NC=NN3C(=C2)C(F)(F)F 1 3.558 4 0 -7.49833410624498 719983 CCOC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C3=CC=CC=C3 1 3.625 3 2 -11.8197639499066 719963 CC1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C)C 1 3.614 3 0 -2.46320498367836 719962 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=C(C=C2)Cl 1 1.952 2 4 0 -4.65216621790356 719960 CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC=CS3)C 1 3.868 0 5 -11.8446830236254 719959 CCOC(=O)N1CCN(CC1)C(=O)COC2=C(C=C(C=C2)Cl)C 1 2.438 2 4 -2.63949002592963 719957 C1=CC(=CC(=C1)Cl)NC(=O)NNC(=O)C2=CC=CS2 1 2.397 3 2 -4.6816247653931 719951 C1=CC(=CC=C1C#N)C(=O)NNC(=O)C2=CC=NC=C2 1 0.599 4 2 0 -7.02289873042895 719933 CCOC(=O)N1CCN(CC1)C(=O)CC2=CC=C(C=C2)Cl 1 2.152 2 3 -6.248678661195 719923 CC(C)OC(=O)CSC1=NC2=CC=CC=C2S1 1 3.43 1 2 -10.1864294978774 719913 CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C 1 3.656 3 3 -8.83432801493385 719881 COC(=O)C1=CN(C2=CC=CC=C21)C(=O)C3=CC=CC=C3F 1 3.838 1 3 -2.49651273172522 719799 CN1C(=NNC1=S)C2=CC=CC=C2 1 2.102 3 0 -2.3842511381605 719793 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC(=CC=C3)Br 1 3.327 3 1 -6.57705666042428 719776 CC1=C(C=C(C=C1)C(=O)NCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-] 1 2.959 4 3 0 -10.6561725023895 719768 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=NC=CS3 1 1.065 3 3 0 -11.2725997848804 719765 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NN 1 6.9e-002 3 4 0 -7.30875507279113 719759 CC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3 1 3.387 2 2 -3.79489330607489 719755 CC(=O)NC1=CC2=C(C=C1)N=C(N2)C3CCCCC3 1 2.853 3 1 -4.28245533924167 719753 CC(C)C1=CC=C(C=C1)/C=C/C(=O)O 1 3.121 0 2 1.09453873447231 719696 COCC1=CC(=O)N2C(=N1)N=C(N2)N 1 -1.528 5 2 0 -5.91957010751101 719677 CCN1C2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4N3C 1 4.481 4 0 -4.20463157050656 719673 CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)N(C2=O)CC3=CC=CO3 1 1.997 3 4 0 -8.62912592402432 719666 CC1=NN=C2N(C1=O)N=C(CS2)C3=CC=C(C=C3)Cl 1 2.734 4 1 -2.69835373815479 719657 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 1.223 2 4 0 -18.7426167720427 719651 CCCS(=O)(=O)N1CCN(CC1)C(=O)CCC2CCCC2 1 1.831 2 3 0 -25.8800005555454 719650 CCCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)OC 1 1.107 2 4 0 -23.1382686564125 719649 CCCS(=O)(=O)N1CCN(CC1)C(=O)C2=CN=CC=C2 1 -2.7e-002 3 3 0 -25.6528065811861 719643 CCCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2F 1 1.329 2 3 0 -23.4026045903268 719638 CCS(=O)(=O)N1CCN(CC1)C(=O)CCC2CCCC2 1 1.308 2 3 0 -23.3548049911647 719637 CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CN=CC=C2 1 -0.551 3 3 0 -23.1276110168055 719632 CCS(=O)(=O)N1CCN(CC1)C(=O)CC(C)C 1 0.311 2 3 0 -24.4885371888882 719631 CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=CO2 1 -5.e-003 2 4 0 -19.9164939570738 719621 CCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F 1 0.508 2 4 0 -23.5043363185082 719619 CS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 -0.152 3 6 0 -22.9842933776797 719590 C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)F)C3=CC=CC=C3F 1 3.245 3 1 0.844374223315776 719571 CC(C)NC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O 1 2.542 1 3 -15.1867623855129 719570 CN1CCN(CC1)CCC(=O)NC2=CC=CC=C2Cl 1 1.826 3 1 0 -1.42951297440025 719567 CCN1CCN(CC1)CCC(=O)NC2=CC(=CC(=C2)OC)OC 1 1.477 3 3 0 -7.05353378569005 719564 COC1=CC(=CC(=C1)NC(=O)CCN2CCN(CC2)CCO)OC 1 0.589 3 4 0 -5.27956849309937 719559 CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)C 1 1.899 3 3 0 -5.46289859945472 719550 CN1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 1.04 4 4 0 -5.95621204368054 719549 CCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)N)OC 1 2.4 2 4 -13.4995717185332 719539 CN1CCN(CC1)CCC(=O)NC2=CC=CC=C2 1 1.162 3 1 0 -1.58683138419975 719536 CCN1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)C)C 1 2.483 3 1 -5.47022214677899 719532 CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC(=C(C=C2)F)F 1 1.824 3 3 0 -4.62705941057677 719530 CCN1CCN(CC1)CCC(=O)NC2=CC(=C(C=C2)F)F 1 1.921 3 1 0 -2.85574127420596 719526 C1CN(CCN1CCC(=O)NC2=CC(=C(C=C2)F)F)CCO 1 1.033 3 2 0 -1.08177598161527 719523 CN1CCN(CC1)CCC(=O)NC2=CC(=C(C=C2)F)F 1 1.573 3 1 0 -0.594338056948444 719521 CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCOCC2)OC 1 1.715 1 4 0 -12.1444084630177 719495 CC1=CC=CC=C1N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)F 1 3.525 3 1 1.79464724962387 719482 CC(=O)NC1=CC=C(C=C1)N2C=C(NC2=S)C3=CC=CC=C3 1 2.955 3 1 -7.13016045771052 719475 CCC1=CC=C(C=C1)N2C=C(NC2=S)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.672 3 2 -3.91029023014751 719453 CCNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)NC(=O)N2C 1 1.71 5 2 0 -9.14826321305927 719449 CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=C(C=C3)OC 1 1.99 3 4 0 -3.50027885549962 719448 CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CC3=CC=C(C=C3)F 1 1.567 5 2 0 -5.47368683159248 719426 CCNC1=NC2=C(N1CC(C)C)C(=O)NC(=O)N2C 1 1.112 5 2 0 -11.5765732100534 719408 C1=CC=C(C=C1)NC(=S)NC2=NC=CS2 1 2.891 3 0 -6.07803217904696 719348 C1=CC(=CC(=C1)Cl)NC(=O)C2=CC=NC=C2 1 2.128 2 1 -2.11048797035339 719350 C1=CC=C(C(=C1)NC(=O)C2=CC=NC=C2)F 1 1.669 2 1 0 -6.02389857929506 719352 CC(=C)CN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)C)C 1 1.508 5 2 0 -15.7101126051004 719355 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC=C 1 1.061 5 2 0 -14.3299452452089 719362 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=NC=C2)C 1 1.239 3 3 0 -12.1620230220534 719338 C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3 1 3.177 2 3 -11.9290966753923 719330 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3 1 1.249 2 3 0 -9.26122794588914 719324 CCOC1=CC=C(C=C1)NC(=O)C2=CC=NC=C2 1 1.796 2 2 0 -6.038546587911 719320 C1=CC(=CC(=C1)F)C2=C(C=NO2)C3=NN=NN3C4=CC=C(C=C4)Cl 1 3.775 5 1 1.75474421692259 719310 COC1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.94 3 2 7.95388429182661 719302 CN(C1CCCCC1)C(=O)C2=CC=NC=C2 1 1.951 2 1 0 -6.48129337179396 719282 COC1=CC=CC=C1NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.443 3 1 7.04021619894165 719245 C1=CC=C(C=C1)N2C=CC=C2C=C3C(=O)C4=CC=CC=C4C3=O 1 4.404 1 2 2.17222991800365 719218 CNC(=O)C1=CC=CC=C1NC2=CC=C(C=C2)SC(F)F 1 3.951 2 1 -5.48646891128487 719217 CCOC(=O)CSC1=NC2=C(C(=C(S2)C)C)C(=O)N1 1 2.504 2 3 -18.28514039354 719213 CCOC(=O)CSC1=NC(=O)C2=CC=CC=C2N1 1 2.086 2 3 -15.2684264789175 719206 CC1=C(C=C(C=C1)NC(=S)NCCN2CCOCC2)F 1 3.03 3 1 -8.69275949735571 719205 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=CC=NC=C3 1 0.596 3 3 0 -9.16908494354007 719203 CC1=C(C=CC(=C1)NC(=S)NC2=CN=CC=C2)Br 1 4.45 3 0 -4.02717988018346 719199 CC1=NC2=C(C(=O)N1C3=CC=CC=C3)N=NN2CC4=CC=CC=C4 1 2.93 5 1 -10.4817582727074 719198 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NCC3=CC=NC=C3 1 0.603 3 3 0 -14.458375364226 719171 CN1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 0.333 3 3 0 -8.4896805162396 719169 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)Cl 1 3.334 2 2 -2.69650699402308 719144 CC(C)(C)C1=CC=CC=C1OCC(=O)NC2=NC=NN2 1 2.152 4 2 -6.85836708936332 719141 CCOC(=O)C1=C(N=C(S1)NC(=O)NC2=CC=C(C=C2)Cl)C 1 2.962 3 3 -7.66441742465959 719137 CCN1C(=O)C2=C(C3=CC=CC=C3CC2(C)C)NC1=S 1 3.404 2 1 -7.91579280591378 719126 C/C(=C/CSC1=NN=C2N1C3=CC=CC=C3C(=O)N2N)/Cl 1 2.249 5 1 -11.8249615559053 719124 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NC=NN3 1 2.127 5 2 0 -12.0685705344364 719109 CC1=CC(=NC(=N1)NC(=C2C(=O)CC(CC2=O)(C)C)N)C 1 0.639 4 2 0 -10.6426708182825 719101 CC1=CC=C(O1)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4 1 3.312 3 2 -12.6688304800579 719092 CC1=CC(=NC(=N1)N)N2C(=N2)SCC(=O)OC 1 0.938 5 2 0 -13.0942561435426 719078 CC1=C(C=NN1CCC(=O)O)C=O 1 0.114 2 3 0 -8.353509401693 719076 CC1=C(C(=NC(=C1Cl)C)S(=O)(=O)NC2CCCCC2)C#N 1 3.3 3 2 -8.61764192176397 719073 CC1=C(SC(=N1)N)C(=O)NN=CC2=CC=CO2 1 0.903 4 2 0 -3.39223105995408 719070 CC1=C(C(=NC(=C1Cl)C)S(=O)(=O)N(C)C2=CC=CC=C2)C#N 1 3.224 3 2 -6.93494359991436 719067 CC1=CC(=NC(=N1)SC)N2C=C(C(=O)NC2=O)F 1 0.786 4 2 0 -7.75978891233787 719066 CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NN)N3C=CC=C3 1 1.504 4 2 0 -5.85845526335688 719065 CC1=CC(=NC(=N1)SC)N2C=CC(=O)NC2=O 1 0.876 4 2 0 -9.49464656792176 719062 CN(C)C1=NC(=NC(=N1)N2CCCCC2)N3CCCCC3 1 1.969 6 0 0 -1.39386289131906 719057 C1CCN(CC1)C2=NC(=NC(=N2)N(CC(=O)N)C#N)N3CCCCC3 1 0.755 8 1 0 -3.30434270370091 719055 COC1=C2C(=C(C=C1)S(=O)(=O)NCCC3=CC=CC=C3)C=CC=N2 1 2.815 2 3 -6.49055396191685 719044 CC(=O)NC1=NN(C(=N1)N)C2=CC=CC=C2 1 0.809 5 1 0 -0.47947534292227 719036 CCSC1=NN1C2=NC(=NC(=C2)C)N 1 1.579 5 0 0 -5.77855643021472 719034 CC1=CC(=NC2=NC(=NN12)SCC(=O)NC3CCCCC3)C 1 2.786 5 1 -17.6370451971522 719029 CC1=CC(=NC2=NC(=NN12)SCC(=O)N(C)C3=CC=CC=C3)C 1 2.711 5 1 -14.2037266859029 719022 C1=CC(=CC=C1CSC2=NC=NN2)Br 1 3.005 3 0 -8.06894664900171 719021 CC1=C(SC=C1)/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C 1 3.474 2 1 -4.66992309775468 719011 C1=CC(=CC=C1CSC2=NC=NN2)Cl 1 2.921 3 0 -6.61228690390028 719007 CC1=CC(=CC(=C1Cl)C)OCC2=NC(=NO2)C3=CC=CS3 1 4.57 2 2 -0.314176132775459 718994 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 2.687 3 1 -1.1924746473428 718990 CC1=CC=CC=C1COC2=CC=C(C=C2)C3=NNN=N3 1 3.352 4 1 0.556852627959336 718972 C1CN(CCC1C(=O)N)C(=O)CSC2=CC=CC=N2 1 0.5 3 2 0 -11.0536237368917 718965 CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 3.219 5 3 0 0.461420678083822 718945 COC1=C(N=C(O1)C2=CC=C(C=C2)Cl)C(F)(F)F 1 3.795 1 2 9.62521086176518 718941 CC1=CC=CC=C1C2=NC(=C(O2)OC)C(F)(F)F 1 3.617 1 2 7.18429865670157 718932 CS(=O)(=O)N(CC(=O)NC1CC1)C2=CC(=CC=C2)F 1 0.702 2 3 0 -13.9242814056004 718928 CC1=CC(=C(S1)C)S(=O)(=O)N2CCCCC2 1 1.817 1 2 0 -11.6143903451441 718925 COC1=CC=CC=C1NC2=C(C(=O)N(C2=O)C3=CC=CC=C3)Cl 1 2.83 2 3 -6.98416021042876 718920 CC(C)(C#CC1=CC=C(S1)C(=O)NCC2=CC=CS2)O 1 3.174 1 2 -13.0639237928618 718892 C1C(=O)C(=C(N1C2=CC=CC=C2)N)C3=NC(=O)C4=CC=CC=C4N3 1 1.812 4 2 0 -11.524914038322 718883 CC1=NC(=C(N1C)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-] 1 2.347 3 4 0 -3.45904390882058 718872 CN(C)CCNC1=C(C(=O)N(N=C1)C2=CC=CC=C2)Cl 1 1.22 4 1 0 -1.4782957024648 718860 CC1=C(C2=C(C=C1)N=C(C(=N2)C)C)N 1 1.598 3 0 0 -0.788636371580536 718858 C1=CC=C(C=C1)N2C(=NN=N2)OC3=CC=C(C=C3)Cl 1 3.483 4 1 -3.14934373862313 718849 COC(=O)C1=CC=C(C=C1)C2=NC(=NO2)C3=CC=CS3 1 2.953 2 3 -1.4132315812779 718833 CCOC(=O)C1CCN(CC1)CC2=CN=C(S2)NC(=O)OC 1 1.418 3 4 0 -5.34422011710841 718831 CC1=CC2=NC(=C(N2C=C1)F)C(=O)OC 1 1.927 2 2 0 -7.90151978684107 718827 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CN=CC=C2 1 2.086 2 3 -14.878919484425 718822 COC1=CC=CC=C1CC2=NC(=NO2)C3=CC=C(O3)Br 1 3.126 2 3 0.445766878341259 718814 CC1=CC=CC=C1OCC2=NC(=NO2)C3=CC=C(O3)Br 1 3.429 2 3 2.63708705405055 718812 C1=CC=C(C=C1)CCC2=NC(=NO2)C3=CC=C(O3)Br 1 3.599 2 2 0.242998746548545 718810 COCN1C2=CC=CC=C2N=C1COC3=CC4=CC=CC=C4C=C3 1 4.071 2 2 3.14193532230324 718799 COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CO3 1 2.578 1 4 -14.7608553125092 718788 CC(C)N1C2=CC=CC=C2N=C1COC3=CC=C(C=C3)OC 1 4.021 2 2 0.208340371385731 718782 CCN1C2=CC=CC=C2N=C1COC3=CC=C(C=C3)OC 1 3.644 2 2 0.341637071880221 718778 COC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CC=C 1 3.912 2 2 -2.39954677945122 718743 C1COCCN1C(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3 1 1.156 3 3 0 -16.9602269244945 718736 CC(C)(C)C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.279 2 1 -11.5378480340943 718731 C1=CC=C(C=C1)OCC2=NC(=NO2)C3=CC=CS3 1 2.933 2 2 -2.2683340290291 718728 COC1=CC=CC(=C1)C2=NC(=NO2)C3=CC=CS3 1 3.082 2 2 4.22180949327026 718726 CCC1=CC=CC=C1NC(=O)CSC2=NC=NN2 1 2.252 4 1 -14.4897165847594 718725 COC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=CS3 1 3.082 2 2 2.57765527947001 718720 COC1=NC(=NC(=N1)NCCC2=CCCCC2)OC 1 3.139 4 2 -6.0470182498904 718718 C1=CSC(=C1)C2=NOC(=N2)C3=CC=C(C=C3)F 1 3.304 2 1 3.7024985140794 718697 COC1=C(C=C(C=C1)CC2=NC(=NO2)C3=CC=CS3)OC 1 3.1 2 3 -7.81097669677946 718677 CCOC(=O)C1=CNC2=C(C=CC(=C2C1=O)Cl)Cl 1 2.706 1 3 -7.46403483997324 718667 CC1=CC=CC=C1NC(=O)COC2=NSN=C2N3CCOCC3 1 1.606 4 3 0 -9.1976454647908 718655 C1=CC(=CC=C1NC2=NN=NS2)F 1 1.162 4 0 0 -1.25059608364687 718652 CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=NOC2=O)C 1 2.572 2 2 -1.37185472176232 718651 CCC1=NOC(=C1C(=O)NC2=CC=C(C=C2)Cl)N 1 2.06 3 2 -7.87451484183387 718646 COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N=C2C(=O)O)C(=O)O 1 3.206 1 5 0.152445188795833 718645 CC1=CC(=NC(=N1)NC2=CC=CC=C2)N(C)C 1 1.849 4 0 0 -1.94032966234253 718644 COC1=CC(=CC(=C1)C2=NC3=CC=CC=C3C(=O)O2)OC 1 3.108 1 4 -6.60696433039343 718633 C1=CC=C(C=C1)C2=CSC3=C2C(=S)NC=N3 1 2.954 2 0 2.3633069111777 718629 CC1=CC=C(N1C2=C(C3=C(S2)CCCC3)C#N)C 1 4.045 2 0 -10.7871535953108 718626 CCN1CCN(CC1)C2=NC(=NC3=C2SC(=S)N3C)C 1 2.726 5 0 -2.85844431888985 718625 C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CC=C4F 1 4.27 2 2 3.60219984323036 718624 CC1=NC2=C(C(=N1)N3CCN(CC3)C)SC(=S)N2C 1 2.378 5 0 -1.53295628169873 718621 C1COC2=C(O1)C=CC(=C2)C(=O)NCC3=CC=CC=C3 1 2.407 1 3 -11.4876521525428 718618 CCCC(=O)NC1=CC(=C(C=C1)Cl)C2=NC3=C(O2)C=CC=N3 1 3.233 3 2 -4.13799645798597 718615 CCCC(=O)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC=N3)C 1 3.055 3 2 -4.88531238232062 718609 COC1=CC=CC=C1CNC(=S)NCCC2=CC=CC=C2 1 4.129 2 1 -10.9501261449502 718607 CCC(=O)NC1=NC(=C(S1)C(=O)OCC)C 1 1.392 2 3 0 -10.7473326738416 718605 CCC(=O)NC1=CC(=C(C=C1)Cl)C2=NC3=C(O2)C=CC=N3 1 2.777 3 2 1.28429767666157 718603 CCC(=O)NC1=CC=CC(=C1C)C2=NC3=C(O2)C=CC=N3 1 2.599 3 2 1.19686076698959 718601 C1=CC=C(C(=C1)C2=NN(N=N2)CC(=O)NCC3=CC=CO3)F 1 1.535 5 2 0 -11.8613084651116 718595 COC1=CC(=C(C=C1C(=O)OC)Cl)NC(=O)CC2=CC=CC=C2 1 3.152 1 4 -10.7687291119315 718593 CC1=NC=C(N1CC(=O)NC2=CC=CC=C2SC)[N+](=O)[O-] 1 1.381 4 3 0 -16.3841053488656 718591 CC(C)C(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)Cl 1 2.583 1 4 -13.2049877008325 718590 CCCC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)Cl 1 2.576 1 4 -14.5470221626942 718588 CCN(CC)CC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC24CCCC4 1 3.264 3 1 -7.46860894386407 718572 CC(C)C(=O)NC1=NC(=CC(=N1)OC)OC 1 1.867 3 3 0 -11.0091291372604 718560 CC1=CC(=NC(=C1NC(=O)NC(=O)C2=CC(=CC=C2)F)C)C 1 2.501 3 2 -2.95862288549296 718551 CCOC(=O)CC1=CSC(=N1)NC(=O)COC2=C(C=CC=C2C)C 1 3.087 2 4 -13.2135085956622 718543 CC1=C(C(=CC=C1)C)OCC(=O)NCC2=CC=CC=C2 1 3.429 1 2 -11.6216831445007 718542 C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CC4=CN=CC=C4 1 0.543 2 2 0 -1.64327581720673 718532 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC3=CC=CO3 1 3.782 1 3 -8.66633706975834 718529 CCC(=O)NCCN1CCN(CC1)C(=O)CC 1 6.3e-002 3 2 0 -12.8763601240246 718518 CC1=NC2=C(C(=N1)N(C)C)SC(=S)N2C 1 2.42 4 0 -7.22170916173216 718499 C1CCCN(CC1)C2=NC=NC3=C2N=NN3CC4=CC=CC=C4 1 3.099 6 0 -6.42450035967109 718496 C1COCCN1C2=NC=NC3=C2N=NN3CC4=CC=CC=C4 1 1.413 6 1 0 -8.01358648238386 718487 CC(C)N(C(C)C)C(=O)/C=C/C1=CC(=C(C=C1)OC)Br 1 3.896 1 2 -3.32217706583308 718484 C1CN(C2=NC3=CC=CC=C3N21)C(=O)C4=CC=CC=C4Cl 1 3.566 3 1 -3.221299674614 718483 CC(C)NC(=O)/C=C/C1=CC(=C(C=C1)OC)Br 1 2.964 1 2 -9.80553825345478 718477 CC1=NC2=C(C(=N1)OC)SC(=S)N2C 1 2.862 3 1 -5.91974509501297 718473 CC1=NC2=C(C(=N1)N3CCCCC3)SC(=S)N2C 1 3.337 4 0 -4.23119381145265 718471 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCCC3)F)C(=O)NN 1 1.67 4 2 0 -1.12098571484692 718467 CCN1C=C(C(=O)C2=CC(=C(C=C21)NC3CCCCC3)F)C(=O)NN 1 2.258 4 2 0.654791799374491 718464 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCC3)F)C(=O)OCC 1 2.908 2 3 -2.54374044745154 718460 CC1=CC(=C(S1)C)S(=O)(=O)NC2=CC(=CC=C2)Cl 1 2.935 1 2 0.768944468690334 718459 CCN(CC)C(=O)C1=C2C(=CS1)OCCO2 1 1.68 1 3 0 -8.56888542816263 718453 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCC3)F)C(=O)NN 1 1.214 4 2 0 -0.766517200678841 718445 CC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3NC2=O)OC)OC 1 2.8 2 4 -6.51589017477276 718437 CC1=NC(=NC2=C1C=CC(=C2)OC)SCC(=O)OC 1 2.424 2 3 -8.28793808827072 718425 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)C4=CN=CC=C4 1 3.535 2 1 -2.19705701088157 718414 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CS2 1 0.942 2 4 0 -15.7805186853268 718402 COC1=C(C=CC(=C1)/C=C/[N+](=O)[O-])OC(=O)C2=CN=CC=C2 1 2.075 2 5 0 -3.27527384869278 718389 CCN(C1CCCCC1)C(=S)NC2=CC=C(C=C2)C(=O)C 1 4.995 2 1 -12.4784793663011 718387 CCOC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=C2)C)SC 1 3.7 2 3 -6.58084311225136 718371 C1=CC=C(C(=C1)CO)NC(=S)NC2=CN=CC=C2 1 2.611 3 1 -5.99549475880012 718369 CCN(C1CCCCC1)C(=S)NC2=CC=CC=C2F 1 5.46 2 0 -8.27553684325676 718360 C1COCCN1CCNC(=S)NC2=CC=C(C=C2)C#N 1 2.217 4 1 -13.0619059730166 718346 CC1=CC=CC=C1CN2N=C(N=N2)C3=CC(=C(C(=C3)OC)OC)OC 1 3.525 4 3 0 -3.43414360488547 718328 C1=CC=NC(=C1)C2=NC(=NO2)C3=CC=C(O3)Br 1 2.386 3 2 4.93138965690566 718321 C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OC(=O)C4=CC=CO4 1 3.704 0 5 -12.6347180428575 718317 CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)F 1 4.826 2 2 -12.0278897166543 718302 C1=CC=C2C(=C1)N=C(N2CCC(=O)O)C3=NON=C3N 1 1.231 5 3 0 -7.12772706275004 718273 C1CCC2=C(C1)C3=C(S2)N=NNC3=O 1 2.796 3 1 -14.8350545365221 718266 C1=CC=C2C(=C1)NC(=O)C3=NN=CN23 1 0.337 4 1 0 -6.95770795556011 718261 CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)CNC3=NN=CS3 1 1.821 4 1 0 -1.78494159008964 718252 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)CN3CCCCC3 1 3.121 2 2 -1.03810568708386 718247 CC1=C(C2=C(N1)C=CC(=C2)OC)C(=O)CN(C)C 1 1.998 2 2 0 -0.595585711049439 718241 CCC(=O)NCCC1=NC2=CC=CC=C2N1CC3=CC=CC=C3 1 3.37 3 1 -11.8959347400713 718239 CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)CN3CCOCC3 1 2.188 2 2 -0.276103569752651 718227 CCOC(=O)C1=C(SC=C1C2=CC=CS2)N 1 2.545 1 2 -1.44153608183999 718221 CCN(CC)C1=NC=NC2=C1NC3=CC=CC=C32 1 2.752 4 0 7.42529928993108e-002 718215 COCC1=NC2=CC=CC=C2N1CC3=C(C=CC=C3Cl)F 1 4.002 2 1 -2.88135732888072 718205 CCN1C2=C(C=C(C=C2)C)C3=NNC(=S)N=C31 1 2.829 4 0 -3.2049321242575 718200 CC(C)N1C2=C(N=C1OC3=CC=C(C=C3)F)N(C(=O)N(C2=O)C)C 1 2.933 4 3 0 -8.60631636933115 718197 COC1=C(C=C(C=C1)Cl)C(=O)N2C=NC3=CC=CC=C32 1 3.647 2 2 -2.59565952767003 718180 C1=CC=C2C(=C1)N=C(S2)NC(=O)CC3=CC=CS3 1 3.228 2 1 -5.14193954307929 718175 CC1=C(C=CC(=C1)OCC(=O)N(C)CC2=CC=CC=C2)Br 1 3.897 1 2 -7.29704804002333 718166 CC1=CC2=C(C=C1C)N(C=N2)C(=O)C3=CC=C(C=C3)F 1 4.177 2 1 -1.4889570359972 718139 CCOC(=O)C1=C(N(N=N1)C2=CC=CC=C2C#N)C 1 2.246 4 2 -13.0326104274021 718129 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)C3=CN=CC=C3 1 2.099 5 1 -11.7407427643095 718111 CC(C)NC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 3.024 1 2 -12.2041546401923 718110 C1=CC=C(C=C1)CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 3.881 1 2 -9.86766733121096 718109 CCN1C=C(C(=O)C2=C1C3=CC=CC=C3C=C2)C(=O)OCC 1 2.988 1 3 -1.90670741249933 718106 CC(C)(C)NC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 3.229 1 2 -10.9105294084144 718095 CC1=C(C(=CC=C1)C)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 4.846 1 2 -7.09755506399418 718081 C1=CC=C(C(=C1)C2=CC=C(O2)/C=C(/C#N)\C(=O)N)[N+](=O)[O-] 1 2.238 3 4 0 -9.25153254144448 718078 C1=CC=C(C(=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)N)[N+](=O)[O-] 1 2.238 3 4 0 -9.25153254144448 718070 C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(\C#N)/C(=O)N 1 2.706 2 2 -8.12115163129088 718065 C1CN(C(=O)N1)C(=O)CSC2=NN=NN2C3=CC=CC=C3 1 0.664 6 2 0 -27.1969056079191 718064 CC(C)(C#CC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2F)O 1 3.395 1 2 -9.93046951000722 718062 CC(C)(C#CC1=CC=C(S1)C(=O)NCC2=CC=CC=C2)O 1 3.434 1 2 -11.0304868554643 718059 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC3=CN=CC=C3 1 -0.608 6 3 0 -28.6609677665062 718057 COC1=C(C2=C(CN(C2=O)C3=CC=C(C=C3)F)C=C1)OC 1 2.746 1 3 -5.40503951529906 718054 CC1=CC(=NC(=C1NC(=O)NC(=O)C2=CC=C(C=C2)F)C)C 1 2.501 3 2 -2.93144106909542 718051 CC1=NN(C(=C1)C(F)(F)F)C2=CC=C(C=C2)N 1 2.826 3 0 0.665488769018185 718047 C1COCCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.064 2 2 -7.29029831111519 718044 CC1=C(C(=O)NC(=S)N1)CCOC2=CC=CC=C2 1 2.444 2 2 -9.57040165463735 718042 C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3 1 3.569 3 2 -9.90454807976651 718039 C1=CC(=CC=C1OCCN2C=CC(=O)NC2=O)Cl 1 1.49 2 3 0 -6.34191224953974 718036 CC1=CN(C(=O)NC1=O)CCOC2=CC=C(C=C2)Cl 1 1.937 2 3 0 -3.2854241664705 718035 C1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 3.183 2 2 -1.6800773268609 718033 CC1=C(C=C(C=C1)OCCN2C=CC(=O)NC2=O)C 1 1.798 2 3 0 -8.34982292529227 718013 CC1=NN(C(=C1C2=CC=C(C=C2)Cl)N)C3=NC4=CC=CC=C4N3 1 3.957 5 0 6.77576653292015 718001 CC1=C(C=CC=C1Cl)NC(=S)NN2C=NN=C2 1 2.786 5 0 -3.94874700706085 717999 C1=CC=C(C=C1)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3 1 3.809 3 1 -10.8539082160268 717998 CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)N 1 3.218 3 1 -7.85247483433333 717997 C1CC1C(=O)NNC(=S)NC2=CC=CC=C2Cl 1 3.032 3 1 -7.38868324348907 717996 CCOC(=O)CSC1=NC(=O)C(=NN1)C2=CC=CC=C2 1 2.281 3 3 -15.9194371121043 717993 C1=CC(=C(C=C1Cl)CSC2=NNC(=O)NC2=O)Cl 1 2.681 3 2 -14.1142777174671 717989 CC1=CC=C(O1)C=NNC(=O)CCC2=NNC(=O)NC2=O 1 -0.305 5 4 0 -25.0434818356317 717987 CCCN(CC1CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N 1 1.344 2 4 0 -10.0374769790782 717964 C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)NC2=NC=CS2 1 2.17 3 3 -5.08614424404223 717962 CN1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.76 3 3 0 -4.44850784977769 717960 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCOCC3 1 2.807 2 3 -14.3632680099464 717959 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NCC(=O)OC 1 2.62 2 4 -19.7006940246251 717954 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCCCCC3 1 3.828 2 2 -9.0038359961783 717946 C1COCCN1C(=O)C(C(=O)N2CCOCC2)(F)F 1 -0.994 2 4 0 -5.78616858563994 717942 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.954 4 4 0 -8.10557290226815 717938 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)F 1 2.987 2 2 -11.0506617871885 717937 CCOC1=C(C=C(C=C1)N2C=NN=N2)S(=O)(=O)NC3CC3 1 0.45 5 3 0 -21.6381229125814 717936 CCOC1=C(C=C(C=C1)N2C=NN=N2)S(=O)(=O)N3CCCCC3 1 1.083 5 3 0 -24.515985361541 717935 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CN2CCOCC2)OC 1 0.466 2 6 0 -15.9601641893022 717930 C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4CC4 1 2.527 1 3 -6.1046879704281 717927 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=CC=CO2)OC 1 1.606 1 6 0 -10.5902242013378 717926 C1=CC(=CN=C1)CSC2=NN=C(S2)N 1 1.073 4 0 0 -8.14332017858847 717916 CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC3=C2C4=CC=CC=C4C3=O 1 4.679 1 2 -4.95599006450419 717912 CC(C)CNC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=O 1 3.322 1 2 -7.6102938023825 717910 COC1=CC2=C(C=C1)OC(=C2C(=O)O)C3=CC=CC=C3 1 3.556 0 4 2.8651430769573 717906 COC1=C(C=C(C=C1)C=NNC(=O)CCC2=NNC(=O)NC2=O)OC 1 0.121 5 5 0 -29.0366767335433 717898 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)O 1 4.52 2 2 -0.991886150508175 717894 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)O 1 4.52 2 2 -1.85450995797279 717893 COC1=C(C=C(C=C1)C=NNC(=O)CCC2=NNC(=O)NC2=O)O 1 -0.104 5 5 0 -22.2352536848797 717882 CC1=CC(=O)N=C(N1)NCC2=CC=CC=C2 1 1.346 3 1 0 -9.09065852607828 717880 CN1C2=C(C=C(C=C2)N)SC3=CC=CC=C31 1 3.127 2 0 4.60266455801105 717872 C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=C(O3)Br)[N+](=O)[O-] 1 3.002 3 4 0 2.04524588697806 717870 CC1=CC=C(C=C1)SCC(=O)NC2=NN=CS2 1 1.968 3 1 0 -8.76589676183186 717866 COC(=O)C1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(O3)Br 1 2.963 2 4 2.86485762921031 717865 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=CC=C2)OC 1 2.437 1 5 -13.6402725742041 717864 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(=O)N3 1 8.5e-002 3 4 0 -20.3920766006219 717861 CC1=C(SC2=C1C(=NC=N2)SCC3=CC=CO3)C 1 3.59 2 1 -5.50367222470033 717858 COC1=CC=CC(=C1)C2=NC(=NO2)C3=CC=C(O3)Br 1 3.091 2 3 8.59729293028326 717857 COC1=CC=CC=C1C2=NC(=NO2)C3=CC=C(O3)Br 1 3.091 2 3 4.12473392771384 717856 COC1=CC=CC=C1C2=NC(=C(O2)OC)C(F)(F)F 1 3.114 1 3 4.88651958369908 717851 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCNC3=O 1 1.276 4 3 0 -12.4208750611566 717846 CCN(C1=CC=CC=C1)C(=S)NC2=CN=CC=C2 1 3.918 3 0 -8.07781214682971 717835 C1=CC(=CN=C1)NC(=S)NC2=C(C(=C(C=C2)F)F)F 1 3.832 3 0 -4.54917841998367 717830 COC1=C(C=C(C=C1)C2=NC(=C(O2)OC)C(F)(F)F)OC 1 3.098 1 4 3.88456237466875 717829 CCOC1=C(C=C(C=C1)C)N2N=C3C=CC=CC3=N2 1 3.99 3 1 -2.39851183700989 717824 COC(=O)C1=C(N2C=CC=CC2=N1)F 1 1.441 2 2 0 -7.46922042857402 717821 CCOC(=O)CN1C(=S)NC2(N1)CCC(CC2)C 1 1.916 3 2 0 -6.84279067053678 717819 CCOC(=O)CN1C(=S)NC2(N1)CCCCCC2 1 2.121 3 2 -5.98135924594507 717816 C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)C4=CC=CC=C4 1 4.832 2 1 -12.9360699336507 717815 CCOC(=O)CC1=CN=C(S1)N 1 0.61 2 2 0 -5.25049279294687 717814 C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C/C(=O)O 1 3.494 0 3 1.18246866270115e-002 717800 CC1=CC(=O)N(C(=O)N1CC(=O)N2CCCCCC2)C 1 0.553 3 3 0 -13.5970687235645 717795 C1CC1C(=O)NNC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 3.696 3 1 -5.5568279544721 717789 CC1=CC(=C(C(=O)N1N=CC2=CC=CS2)C#N)C 1 2.279 3 1 -7.05467387475392 717786 C1=CC(=CC(=C1)O)NC(=S)NC2=CN=CC=C2 1 2.974 3 1 -1.95518245865564 717784 C1=CC(=CN=C1)NC(=S)NC2=C(C=C(C=C2)F)Cl 1 4.086 3 0 -3.49099740658166 717779 C1N(CCN(C1)C(=O)/C=C/C(=O)O)C(=O)/C=C/C(=O)O 1 -0.717 2 6 0 -4.54258272794119 717773 CC1=CC=C(O1)C=NN2C(=CC(=C(C2=O)C#N)C)C 1 1.867 3 2 0 -5.57783838528341 717756 CC1=CC=CC(=C1)C=NN2C(=CC(=C(C2=O)C#N)C)C 1 2.812 3 1 -3.15799660964309 717730 CC1=C(C(=O)NC(=O)N1)N(C)C 1 -0.727 3 2 0 -11.0385138916486 717728 C1=CC=C(C(=C1)C(=O)N)NC(=O)/C=C/C(=O)O 1 0.196 2 4 0 -6.96878664903134 717722 CC1=CC(=C(C(=O)N1N=CC2=CC=C(C=C2)C(C)C)C#N)C 1 3.52 3 1 -4.20817882334031 717708 CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CO2 1 1.51 3 4 0 -14.1943436180968 717707 CCN(CC)C(=O)COC1=CC=C(C=C1)C2=CC=CC=C2 1 3.295 1 2 -5.0124378489957 717704 C1=CC=C(C(=C1)NC(=S)NN)Cl 1 2.407 3 0 -2.44480880863802 717694 CCCC(=O)NC1=CC(=C(C=C1)Br)Cl 1 3.486 1 1 -7.30987171738623 717691 CCNC(=S)NC1=C(C=C(C=C1)Cl)Cl 1 4.189 2 0 -4.51757733549562 717684 COC1=CC=CC=C1NCC(=O)NN=CC2=CN=CC=C2 1 1.176 4 2 0 -9.26341550311838 717680 CC1=C(SC=C1)C=NNC(=O)CNC2=CC=CC=C2OC 1 2.767 3 2 -8.75639352066979 717679 COC1=C2C3=C(CCCC3)SC2=NC=N1 1 3.018 2 1 -6.68377590559878 717670 CCOC(=O)NC1=CC=C(C=C1)C(=O)N 1 0.944 2 3 0 -7.12499362374914 717668 CCOC(=O)NC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)O 1 3.132 1 5 -4.35630235889784 717662 CCOC(=O)NC1=CC=CC(=C1)C(=O)O 1 1.572 1 4 0 -4.96288121324333 717658 COC1=CC=CC=C1OCC(=O)NCCC2=NC3=CC=CC=C3N2 1 2.397 3 3 -12.4866186843501 717657 COC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)C(=O)OC 1 2.289 1 5 -11.1656871597586 717650 C1CCN(C1)C(=O)COC2=CC=C(C=C2)Cl 1 2.204 1 2 -4.08781122372196 717647 C1=CC(=CC=C1C2=CN3C=C(C=CC3=N2)Cl)Cl 1 3.846 2 0 2.43384629467701 717644 CC1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)Br 1 3.752 2 0 2.17208054635468 717621 C1=CC=C(C(=C1)C(=O)N)NC(=O)NC2=CC(=CC=C2)Cl 1 2.189 3 2 -4.00833012104087 717617 COC1=CC=CC=C1CC(=O)NC2=CC=CC=C2C(=O)OC 1 2.488 1 4 -14.4167381065289 717611 C1=CC=C(C(=C1)C(=O)N)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 2.749 2 2 -4.62977222715075 717610 CC(C)CC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C 1 2.476 2 3 -11.7497634486674 717604 CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 2.923 1 5 -12.8066120366584 717599 CC1=CC(=NO1)NC(=O)CC2=CC=CS2 1 1.741 2 2 0 -16.5727470049023 717589 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=CC=CC=C3C(=O)N 1 0.749 3 4 0 -12.2767906333996 717588 CC(=O)NC1=NON=C1NC(=O)/C=C/C2=CC=C(C=C2)OC 1 1.069 4 4 0 -8.59520670446244 717579 CC1=NN=C(S1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 2.609 3 2 -11.8263835311749 717568 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=CC=C(C=C3)C(=O)N 1 0.749 3 4 0 -12.8196294291071 717564 CC1=CC(=NO1)NC(=O)C2=CC3=C(C=C2)OCO3 1 1.521 2 4 0 -15.3802424573288 717562 CC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.938 2 3 0 -8.35665552234243 717559 CCOC1=C(C=C(C=C1)C(=O)NC2=NOC(=C2)C)OCC 1 2.418 2 4 -19.3152834798417 717552 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)Br)C 1 2.373 3 2 -5.80831889653707 717543 CC1=CC(=NC(=N1)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C)C 1 3.133 4 2 -12.0332142083966 717539 CC1=CC(=NO1)NS(=O)(=O)CC2=CC=CC=C2 1 1.463 2 3 0 -13.1326351458231 717538 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)N)OC 1 2.051 2 4 -11.9959626213047 717537 CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 2.923 1 5 -12.8446250066947 717531 COC1=C(C=C(C=C1)/C=C/C(=O)O)OC 1 1.894 0 4 0 -3.46957896571057 717529 CCOC(=O)CC1=CSC(=N1)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.187 2 4 -7.87910323300969 717514 CC1=CC=CC=C1/[N+](=C/C2=CC=CS2)/[O-] 1 2.937 1 1 -2.13716933907954 717508 CCOC(=O)C1=CC=CC=C1NC(=O)/C=C/C(=O)O 1 1.398 1 5 0 -11.1750688224046 717505 CCOC(=O)CC1=CSC(=N1)NS(=O)(=O)C2=CC=CC=C2 1 1.982 2 4 0 -9.4869898977111 717502 CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 1 3.256 2 3 -25.2120247500673 717499 CC1=CC(=NC(=N1)NC(=O)C2=CC=C(C=C2)OC)C 1 1.905 3 2 0 -7.48230062837527 717489 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=CC(=CC=C3)Cl 1 2.163 2 3 -4.20227055921257 717485 CN1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 1.437 2 3 0 -3.70158215952637 717447 CCC1=C(C(=O)OC(=C1)C=C(Cl)Cl)C 1 3.195 0 2 -1.8501056760778 717388 CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C 1 0.397 1 4 0 -9.52725316548413 717369 C1CCC2=C(C1)N=C3N2C=C(C=C3)Br 1 2.846 2 0 1.08603066017041 717345 C1CCC(C1)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.998 2 2 0 -1.11889532212711 717339 C1COCCN1CC(=O)NC2=CC=CC=C2C(=O)N 1 -0.354 3 3 0 -10.3510179004085 717275 CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3 1 3.117 2 2 -2.16405024019773 717270 COC1=C(C(=CC(=C1)/C=C\2/C(=O)N=C(S2)C3=CC=CC=C3)Cl)O 1 4.277 1 3 2.56940436986931 717254 C1CN(CCN1CC2=CC=CC=C2F)C(=O)C3=CC(=CC=C3)Cl 1 3.654 2 1 0.559512665795773 717251 CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=NC=C3 1 1.296 3 3 0 -7.7837326928631 717250 C1CC2=CC=CC=C2N(C1)C(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 3.081 2 4 -11.7290934919148 717244 CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)OC 1 1.803 2 4 0 -14.6176876604278 717239 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)C 1 2.025 2 3 -22.245822221078 717236 C1CN(CCN1C(=O)C2=CC(=CC=C2)Cl)C(=O)C3=CC=CO3 1 2.184 2 3 -1.65029741389065 717233 C1CN(CCN1C(=O)C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3 1 1.781 2 3 0 -24.158563954639 717229 CS(=O)(=O)N1CCN(CC1)C(=O)CC2=CC=CC=C2 1 0.286 2 3 0 -20.0967968154945 717226 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC=CS3 1 1.473 2 3 0 -9.8033770650787 717224 COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C)OC 1 0.218 2 5 0 -19.3793641657689 717217 C1=CC(=CC=C1OCC2=CC=C(O2)C(=O)NC3=NC=CS3)Cl 1 3.316 2 3 -4.65620687049379 717213 COC(=O)C1=CC=CC=C1NC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 2.199 2 6 0 -15.2944323539158 717212 COC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)C3=CC=NC=C3 1 0.958 3 3 0 -8.57182769855599 717207 CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CN=CC=C3 1 1.296 3 3 0 -10.1164292039172 717184 CC(C)CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.203 2 3 -20.4238235304912 717183 COC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C 1 0.235 2 4 0 -16.9621064273031 717180 CC(C)CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.522 2 4 0 -22.6587884302222 717178 C1CN(CCN1C(=O)C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC=C3 1 2.033 2 3 -17.6538646343062 717175 CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2F 1 0.457 2 3 0 -17.2264423612174 717173 CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCOCC3 1 3.372 1 4 -5.6432098332901 717171 CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 1.77 2 3 0 -13.1663336023752 717167 CC(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N(C)C 1 3.478 1 3 -5.46469838315534 717165 C1=CC(=C(C=C1Cl)Cl)C(=O)CSC2=NNC(=O)NC2=O 1 2.353 3 3 -12.2136816825685 717160 CC(C)CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2 1 1.538 2 3 0 -23.1418318603142 717159 CN(C1=CC=CC=C1)C(=O)C2=CC=C(O2)COC3=CC=CC=C3Cl 1 4.525 1 3 -5.64787892445646 717151 CCN(CC)C(=O)C1=CC=C(O1)COC2=CC=CC=C2Cl 1 3.646 1 3 -8.64797067703432 717148 C1CCN(C1)C(=O)C2=CC=C(O2)COC3=C(C=C(C=C3)Cl)Cl 1 4.074 1 3 -4.92538655795703 717145 C1CN(CCN1C(=O)C2=CN=CC=C2)C(=O)C3=CC=CS3 1 0.927 3 2 0 -13.0144941248103 717126 CCC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCC3=CC=CC=N3 1 3.668 2 3 -10.5274989948419 717125 CC(=O)N1CCN(C1C2=CC=CC=C2)C(=O)C 1 0.579 2 2 0 -5.54823674866805 717110 CC1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C)C)C(=O)N 1 3.273 2 2 -6.99203535550896 717108 CCOC(=O)CSC1=C(C(=CC(=N1)C)C)C(=O)N 1 1.587 2 3 0 -13.7733907872433 717094 COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)NCC3=CN=CC=C3 1 2.494 2 4 -14.6223498113121 717089 C1CCC(=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)C1 1 4.449 2 2 -5.67522719456001 717087 COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)NC3=CC=NC=C3 1 2.488 2 4 -8.81108366224011 717083 CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCCC3)[N+](=O)[O-] 1 3.125 2 5 0 -8.09467470169821 717081 COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)NC3CCCCC3 1 3.92 1 4 -11.3434879773831 717076 CCN(CC)C(=O)CSC1=NN=C(O1)C2=CC=CC=C2 1 2.175 3 2 -15.2543213518803 717071 C1=CC=C(C(=C1)OCC2=CC=C(O2)C(=O)NCC3=CN=CC=C3)Cl 1 3.175 2 3 -11.3188815121832 717044 CC1=C(C=C(C=C1)OCC2=CC=C(O2)C(=O)NN)C 1 2.353 2 3 -4.60411987053241 717040 C1CC2=C(C1)C=C(C=C2)OCC3=CC=C(O3)C(=O)NN 1 2.437 2 3 -6.64393946636652 717029 CC(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCCC3 1 3.939 1 3 -6.0151193218061 717017 CN(C)CCNC(=O)C1=CC=C(O1)COC2=CC=CC=C2OC 1 2.2 2 4 -9.73549028250313 717015 CN(C1=CC=CC=C1)C(=O)C2=CC=C(O2)COC3=CC=CC=C3OC 1 3.844 1 4 -8.95134722358535 717014 CC(C)CNC(=O)C1=CC=C(O1)COC2=C(C=C(C=C2)Cl)Cl 1 4.599 1 3 -7.5229072673998 717010 CC(C)CNC(=O)C1=CC=C(O1)COC2=CC=CC=C2OC 1 3.253 1 4 -12.8148586466635 717001 CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCCCC3)C 1 3.086 2 1 -1.10022919711507 716996 CC(C)(C)NC(=O)C1=CC=C(O1)COC2=C(C=C(C=C2)Cl)Cl 1 4.338 1 3 -9.3938485920509 716993 CCCC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCSCC3 1 4.115 1 3 -4.81811027111629 716990 C1CCN(C1)C(=O)C2=CC=C(O2)COC3=CC=CC=C3Cl 1 3.409 1 3 -6.91386963809181 716982 C1=CC=C(C=C1)C2=NC(=NN2)SC3=NC=C(C=C3)[N+](=O)[O-] 1 3.437 5 2 0 -0.456240660778009 716976 CC1=C(C(=C(C(=O)N1)C#N)COC)Br 1 0.245 2 2 0 -8.5330167411053 716928 CN1C(=C(C=N1)Cl)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.143 4 1 1.20288796993518 716917 CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCC4=CC=CC=C4C3)N)C 1 3.126 3 1 -9.31137915611131 716904 C1=COC(=C1)C2=NC(=S)NN2 1 1.291 3 1 0 -0.57473709664098 716897 CCCC1=CC(=O)N=C(N1)SCC(=O)N 1 0.801 3 2 0 -14.5228318801654 716858 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN=CC3=CN=CC=C3)O 1 2.461 3 2 -9.48517957792297 716809 CC(=NNC(=O)C1=NNC2=C1CCC2)C3=CC=CO3 1 1.858 4 2 0 -10.2321238316327 716787 COC(=O)C1=CC=C(O1)S(=O)(=O)N2CCCC2 1 0.783 1 5 0 -12.5863400024936 716784 CC1=NNC(=NC1=O)NCCC2=CC=CC=C2 1 1.251 4 1 0 -7.60632212564996 716783 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=CN=CC=C3 1 0.596 3 3 0 -9.44593296487039 716782 CC1=CC(=NC=C1)N2C(=NC3=CC=CC=C3C2=O)C 1 2.486 3 1 -6.63872045826427 716780 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=NC=CC(=C4)C 1 4.637 3 1 -3.86375653920947 716779 C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3 1 4.798 3 1 -8.31546195705374 716776 CC1=CC(=NC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4 1 4.15 3 1 -4.0420673488659 716763 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CC=C(C=C4)C(=O)O 1 2.977 1 4 -4.66787409572307 716761 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CC(=CC=C4)O 1 3.105 1 3 0.620804873572396 716758 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC(=CC=C2)Cl 1 3.391 1 3 -9.25113007584181 716755 CC1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2 1 2.726 1 3 -11.1057576449791 716733 CN1C(=NNC1=S)C2=CC=CO2 1 1.497 3 1 0 -2.05554967608067 716730 CC1=CC(=O)N=C(N1)SCC2=C(C=C(C=C2)Cl)Cl 1 3.88 2 1 -13.0965799695764 716728 CC1=CC(=NN1C2=NN=C(N2NS(=O)(=O)C)C)C 1 -0.184 6 2 0 -10.9687830934219 716722 CC1=NNC(=NC1=O)SCC2=CC=CC=C2 1 2.135 3 1 -11.8236654198746 716719 C1=CC(=CC=C1C2=CSC(=S)N2)F 1 2.843 1 0 0.301341093159747 716718 C1=CC=C2C(=C1)C=CC=C2CC3=NNC(=S)O3 1 3.486 2 1 -2.60666320407754 716717 CC1=CC(=NC2=NN=C(N12)SCC(C)C)C 1 3.06 4 0 -11.4323550379999 716715 CC1=CC(=NC2=NN=C(N12)SCC3=C(C=C(C=C3)Cl)Cl)C 1 4.781 4 0 -10.5452864721785 716713 CCSC1=NN=C2N1C(=CC(=N2)C)C 1 2.217 4 0 -10.1265730726572 716701 CC1=NNC(=NC1=O)SCC2=C(C=C(C=C2)Cl)Cl 1 3.464 3 1 -10.1093033160341 716700 CC1=CC(=NN1C2=NN=C(N2NC(=O)C)C)C 1 2.6e-002 6 1 0 -10.2233049676301 716699 CN1N=C(N=N1)SCC(=O)N(C)C2=CC=CC=C2 1 1.79 5 1 0 -10.8715356179024 716696 CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)OC 1 2.535 2 2 -14.4090933777815 716695 CC1=NC(=C(S1)C2=CC=CC=C2)CC(=O)O 1 2.449 1 2 0.403841966786401 716689 CC(=O)NC1=NC(=NN1)SCC2=C(C=C(C=C2)Cl)Cl 1 3.227 4 1 -6.77717792992325 716676 C1CN(CCN1CC(=O)NC2=CC=CC=C2C#N)C3=CC=CC=N3 1 1.853 5 1 0 -4.90665909475933 716651 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCC3=CC=CO3 1 1.385 2 3 0 -6.00713566940231 716593 CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 3.673 1 2 3.11199365403144 716585 CCOC(=O)N1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2O)Cl 1 2.721 3 3 1.75194064439061 716574 C1=CC=C2C(=C1)N=C(O2)SCC3=CN4C=CC=CC4=N3 1 2.978 3 1 -2.41317777579065 716472 C1=CC(=CC=C1C(=O)CN2C=NC=N2)Cl 1 1.716 3 1 0 -7.73612512729947 716464 C1=CC=C(C=C1)CNC(=O)/C=C/C(=O)O 1 1.2 1 3 0 -6.67117590953707 716459 CC1=CC=CC(=C1)C2=NOC(=N2)C3=CC(=C(C=C3)OC)OC 1 3.598 2 3 7.03658508954605 716454 CCN1C(=NNC1=S)CSC2=NC3=CC=CC=C3N2 1 2.901 5 0 -6.7340857643538 716444 C=CCN1C2=CC=CC=C2N=C1COC3=CC=CC=C3 1 3.928 2 1 -2.49795100808873 716441 CN(C)C1=NC(=NC(=N1)N(CC(=O)OC)C#N)SC 1 0.774 6 2 0 -9.13495658076831 716427 C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=CC=C(C=C3)F 1 2.651 3 2 -1.53103560019894 716418 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C 1 1.629 1 3 0 -8.40202699862624 716417 CC1=CC=CC=C1NC(=O)COC(=O)C 1 1.143 1 3 0 -8.74719269333784 716415 CC(=O)OCC(=O)NC1=C(C=C(C=C1)Cl)Cl 1 1.986 1 3 0 -4.34998035690244 716407 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NN=CC3=CC=CO3 1 1.605 6 2 0 -4.23208852387838 716389 CC(=O)NC1=NON=C1NC(=O)C2=CC=C(C=C2)F 1 0.823 4 3 0 -8.55084648897101 716377 COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC=NN3)OC 1 1.156 5 3 0 -14.1642180872506 716376 C1=CC=C(C(=C1)CN2C=NC(=N2)[N+](=O)[O-])Cl 1 2.459 4 2 -5.93541432122924 716355 CC1=C(C(=CC=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)C 1 3.504 4 3 0 -4.06894279950829 716353 CC1=NC(=CS1)C2=CC=C(C=C2)C#N 1 2.372 2 0 1.74630998372223 716344 COC1=C(C=CC(=C1)/C=C/C(=O)O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.372 1 6 0 -5.32665760380038 716281 C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)F)C=O 1 3.877 1 1 0.497503109602006 716264 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)COC3=CC=CC=C3Cl 1 3.578 2 2 -1.86256086878014 716205 C1=CC=C(C=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)N)N 1 2.234 3 1 -1.72395267938048 716201 CC1=CC=C(C=C1)C(=O)C2=C(C3=CC4=C(CCC4)N=C3S2)N 1 4.239 2 1 -10.5352581968517 716180 CC1=C(C=CO1)C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.034 2 2 -1.55956681789864 716134 CC1=CC(=O)N=C(N1)NC2=CC=C(C=C2)OC 1 1.322 3 2 0 -7.78308668724846 716133 CC1=CC(=O)N=C(N1)NC2=CC=CC=C2OC 1 1.322 3 2 0 -9.44929865507996 716130 CC1=NNC(=NC1=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 2.529 4 1 -5.61579462599831 716056 CC1=CN2C(=NC(=C2C(=O)NN=C3CCN(CC3)C)C)C=C1 1 1.116 5 1 0 -4.46833658923973 716043 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)O 1 1.193 1 5 0 -14.1904704566075 715976 CC1=CC2=NC(=C(N2C=C1)C(=O)NN=CC3=CC=CS3)C 1 2.574 4 1 -7.08614129985014 715993 CC1=C(C(=CC=C1)NC(=S)NN2C=NN=C2)C 1 2.608 5 0 -4.19842675028838 715994 CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 2.323 3 3 -5.34240247786673 715997 CCN(CC)CC(=O)NC1=NN(N=C1C(=O)N)C2=CC=CC=C2 1 1.2 6 2 0 -7.49699813042874 716001 C1CCC(=NNC(=O)COC2=C(C=C(C=C2)Cl)Cl)CC1 1 3.572 2 2 -6.79038915679205 715999 C1CCN(CC1)CC(=O)NC2=NN(N=C2C(=O)N)C3=CC=CC=C3 1 1.42 6 2 0 -6.3051305446177 715971 CC1(COC(=N1)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C 1 2.709 2 3 0.882173948446562 715970 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3 1 3.352 2 2 -9.31747653195709 715965 CC1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)C#N 1 2.155 3 1 -6.43928466357556 715937 C1=CC=C(C(=C1)C(=O)NN=CC2=CN=CC=C2)Cl 1 2.197 3 1 -4.97360433253477 715933 CSC1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=C2Cl 1 3.889 2 1 -2.68550968360185 715918 C1=CC=C(C=C1)CNC(=S)NN=CC2=CC=CC=C2C(=O)O 1 3.444 3 2 -9.23127449971414 715913 COC1=NC=C(C=C1)NC(=S)NC2=CC=CC=C2Cl 1 4.403 3 1 -6.46473526546526 715907 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)Cl 1 1.984 2 3 0 -9.96010951391987 715902 CC(=O)NC1=NON=C1NC(=O)CSC2=CC=CC=N2 1 0.399 5 3 0 -14.4113485435976 715872 CCC1=NOC(=C1C(=O)NC2=CC(=C(C=C2)F)Cl)N 1 2.266 3 2 -7.79805064097037 715867 C1CC2=CC=CC=C2C(=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C1 1 3.339 3 3 -10.4522030917322 715820 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)C(=C(N2)C)C(=O)OCC)O 1 1.866 1 5 0 -12.0370242815987 715782 CC(=NNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3=CC(=CC=C3)N 1 3.435 3 1 -3.0743734156469 715775 CC1=CC=C(O1)C=NNC(=O)C2=CC3=CC=CC=C3C=C2O 1 2.89 2 3 0.598055471424532 715772 CC(=NNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=CO3 1 3.577 2 2 -1.76484123728026 715771 CCN1C(=NC(=C1C(=O)O)[N+](=O)[O-])C 1 0.887 3 4 0 -4.32421416477096 715759 C1CN(C2=CC=CC=C21)C(=S)NC3=CN=CC=C3 1 3.644 3 0 -11.5170494409683 715746 CNC(=S)N1CCN(CC1)C2=CC=CC=C2OC 1 2.806 3 1 -7.96702341824707 715736 C1CCC(CC1)CNC(=S)NC2=CN=CC=C2 1 3.55 3 0 -8.0078522516874 715734 CCOC1=CC=C(C=C1)NC2=CC(=NC3=C2C=CC=C3C)C 1 4.667 2 1 5.54625244794656 715733 COC1=CC(=CC(=C1OC)OC)NC(=S)NC2=CN=CC=C2 1 3.167 3 3 -9.19632402508365 715724 COC1=CC(=CC(=C1)N=C2C(=NSS2)Cl)OC 1 3.382 2 2 4.86653226479678 715719 CC1=CC=C(C=C1)N=C2C(=NSS2)Cl 1 3.901 2 0 7.79556575058364 715717 COC1=CC2=C(C=C1)OC(=CC2=O)C(C(F)F)(F)F 1 2.541 0 3 -1.52550685994926 715715 COC1=CC(=CC(=C1OC)OC)N=C2C(=NSS2)Cl 1 3.365 2 3 3.45000278674145 715713 CC1=CC2=C(C=C1)OC(=CC2=O)C(C(F)F)(F)F 1 3.043 0 2 -0.365553358919234 715711 C1=CC=C2C(=C1)C(=O)C=C(O2)C(C(F)F)(F)F 1 2.557 0 2 -0.839026529483082 715703 C1=CC(=CC=C1N=C2C(=NSS2)Cl)Br 1 4.163 2 0 8.16090469606902 715698 C1=CC(=CC=C1C#N)N=C2C(=NSS2)Cl 1 3.294 3 0 5.16982660091296 715696 C1=CC=C2C(=C1)C(=O)C=C(O2)C(F)F 1 2.066 0 2 -9.23178485385385e-002 715695 CC1=CC=C(C=C1)NC2=CC(=NC3=C2C=CC=C3C)C 1 4.821 2 0 6.53714521446492 715691 C1=CC=C(C(=C1)N)N=C2C(=NSS2)Cl 1 2.668 3 0 7.61266135908165 715689 CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC(=C2)C)C 1 1.559 4 3 0 -17.8994406001182 715687 CC(C)C1=NC2=C(N1)C=C(C=C2)NC(=O)C3CCCCC3 1 3.982 3 1 1.24454598529269 715685 CC1=NC2=NC(=CN2N=C1C)C3=CC(=C(C=C3)OC)OC 1 2.197 4 2 -3.19246591627009 715668 CC(C)C1=NN=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.362 4 3 0 -13.0555313411525 715656 CCCN(CCC)CC1=C(N=NN1C2=NON=C2N)C(=O)OCC 1 2.254 7 3 0 -24.7673027810048 715640 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2CCCCC2 1 2.866 3 2 -19.5787705640902 715636 CC1=CC=C(N1NC(=O)COC2=C(C=C(C=C2)Cl)C)C 1 3.24 2 2 -2.14914444487761 715628 CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl 1 3.711 4 0 13.9725581135019 715615 COC(=O)C1=CNC=C(C1C2=CC=C(C=C2)Cl)C(=O)OC 1 1.508 1 4 0 -7.41428178219262 715594 CC1=CC(=C(C=C1)C(C)C)OCC2=NC(=NO2)C3=NON=C3N 1 2.686 5 3 0 -1.45112830988346 715591 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)OC3CCCCC3 1 4.79 1 3 -6.40596441021101 715581 COC1=CC=CC=C1NC(=O)C2CCCCC2 1 3.06 1 2 -2.34743494289796 715571 CC(C)C1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)OC 1 1.795 5 2 0 -16.4949833556901 715566 CC1=C(C(=NO1)C)C(=O)NCC2=CC=CO2 1 0.685 2 3 0 -13.8737981614352 715564 CN(CC1=CC=CC=C1)C(=S)NC2=CN=CC=C2 1 3.481 3 0 -5.89528507242437 715561 CC1=C(C(=NO1)C)C(=O)NCC2=CC=CS2 1 1.243 2 2 0 -14.5685633290698 715556 C1C(=O)N(C(=O)CS1)C2=CC=CC=C2 1 1.107 1 2 0 -3.12252406331994 715555 C1=CC=C(C(=C1)NC(=S)NC2=CN=CC=C2)Br 1 3.964 3 0 -5.93844902902468 715553 C1=CC(=CN=C1)NC(=S)NC2=C(C=C(C=C2)Br)F 1 4.17 3 0 -2.7186401739619 715549 COC1=C(N=C(O1)C2=CC=CC=C2)C(F)(F)F 1 3.131 1 2 7.32869575486316 715544 CC1=CN2C(=NC(=C2F)C(=O)OC)C=C1 1 1.927 2 2 0 -6.19586919955435 715542 CC1=CN2C(=NN=C2S1)C3=CC=C(C=C3)Cl 1 2.786 3 0 3.89702517060218 715538 CC1=C(C=C(C=C1)CN2C3=CC=CC=C3N=C2C4=NON=C4N)OC 1 3.555 5 2 0 -3.59092625690797 715527 CC1=CC(=C(S1)C)S(=O)(=O)N2CCCC2 1 1.36 1 2 0 -11.259921830976 715522 CC1=CC=CC=C1C2=NC(=NO2)C3=CC=C(O3)Br 1 3.594 2 2 6.59128584962576 715516 COC1=NC(=NC(=N1)N(C2=CC=CC=C2)C3=CC=CC=C3)N4C=CN=C4 1 3.857 6 1 0 -2.86183864623001 715513 C1=CC=C2C(=C1)C=CC(=N2)C3=NNC(=S)N3C4=CC=C(C=C4)Cl 1 4.957 4 0 -0.337362377681974 715454 CC1=CC(=NC(=N1)SCC(=O)C2=CC(=C(C=C2)O)O)C 1 2.451 2 3 -0.723886413251563 715448 CC(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3 1 3.877 4 1 -0.353113956428628 715443 CC(C)C1=CC=C(C=C1)C(=O)CSC2=NC=NN2 1 3.123 3 1 -6.81153629926694 715438 CC(C)N(CC1=CC=CC=C1)C(=S)NC2=CN=CC=C2 1 4.207 3 0 -7.65931458784754 715421 C1=CC(=CC=C1C(=O)CSC2=NC(=O)C=C(N2)N)F 1 1.696 3 2 0 -8.99788911183472 715415 CC1=CC(=NC(=N1)SCC(=O)C2=CC(=C(C=C2)OC)C)C 1 3.405 2 2 -5.85377872971685 715413 C1CCN(CC1)C(=S)NC2=CN=CC=C2 1 2.814 3 0 -11.2164807160827 715412 CC1=CC(=NC(=N1)SCC(=O)C2=CC=C(C=C2)F)C 1 3.14 2 1 -5.12994955848672 715410 C1CCCC(CCC1)NC(=S)NC2=CN=CC=C2 1 4.132 3 0 -8.01706678395617 715405 COC(=O)CSC1=NNC(=N1)C2=CC=NC=C2 1 1.134 4 2 0 -6.70785762406309 715399 COC(=O)CC1=CC(=O)N(N1)C2=CC=CC=C2 1 0.619 2 3 0 -6.21776061539409 715385 CC(C)(C)NC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)S(=O)(=O)C 1 1.022 5 3 0 -14.4682290062425 715379 C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CC(=O)NCC4=CC=CO4 1 1.098 5 4 0 -11.4495518918442 715374 CCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3 1 3.625 4 1 -0.876011788859349 715370 CC1=CC(=C(C(=C1)Cl)NC(=O)CS)C 1 2.886 1 1 -0.512421909243166 715369 CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2N)OCCO3 1 2.759 1 3 -2.78220338383692 715368 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4O3 1 2.85 2 4 -12.4370595359794 715349 COC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CO3 1 3.212 3 3 0.113055867540957 715336 COC1=C(C2=C(C=C1)C=NN(C2=O)C3=CC=CC=C3)OC 1 2.603 2 3 -2.9284745777022 715335 CC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CO3)C 1 4.201 3 2 0.587138993428678 715325 C1COCCN1C2=NN3C(=NN=C3C4=C(C=CC=C4Cl)F)C=C2 1 2.417 5 1 -4.09639342777789 715310 CC(=O)NC1=C(N=NN1CC2=CC=CC=C2)C(=O)NC(=O)C 1 0.261 5 3 0 -15.4813800364886 715306 CN1C2=CC=CC3=C2C(=CC=C3)NC1=O 1 1.807 2 1 0 -1.43365784277581 715305 CC1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)F 1 2.375 3 1 -2.84778487437125 715298 CC1=CC(=O)N=C(N1)N2CCC3=CC=CC=C3C2 1 1.626 3 1 0 -11.9437627828427 715294 CC1=NNC(=NC1=O)NC2=CC=CC=C2OC 1 0.906 4 2 0 -7.97028880089254 715275 C1COCCN1C2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)F 1 2.058 3 2 -4.18052452638148 715273 C1=CC=C(C=C1)CCNC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)F 1 3.922 3 1 -4.29842873148139 715271 COC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)NCCC3=CC=CC=C3 1 3.7 3 2 -5.42327196609078 715270 CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 3.806 4 1 -12.0493782914299 715269 CC(=O)C1=CC=C(C=C1)NC(=S)N(C)C2CCN(CC2)C 1 2.898 3 1 -7.44401823035257 715267 CC(C)NC(=S)N1CCC(CC1)CC2=CC=CC=C2 1 4.577 2 0 -9.81659490868758 715266 CC(C)NC(=S)N1CCN(CC1)C/C=C/C2=CC=CC=C2 1 3.928 3 0 -6.74473307777421 715262 C1CC1NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 4.608 2 0 -2.82287261619645 715260 CCOC1=C(C=C(C(=C1)C#N)NC(=O)C2=CN=CC=C2)OCC 1 2.007 3 3 -12.5104695870951 715241 CCOC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)S(=O)(=O)C 1 1.087 4 4 0 -10.0359700977946 715227 CCN1C(=C(C(=NC1=S)N2CCC(CC2)C(=O)N)C(=O)C)C 1 1.111 4 2 0 -4.93903549882458 715217 CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCCCC3 1 3.488 3 1 -7.92213177277892 715211 CC1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2Cl 1 2.787 1 2 -13.6865238802746 715210 C1=CC=C(C=C1)CCNS(=O)(=O)CC2=CC=CC=C2Cl 1 3.317 1 2 -3.37940016114707 715208 CC1=C(C(=NC(=C1Cl)C)S(=O)(=O)N2CCOCC2)C#N 1 1.335 3 3 0 -13.1571777876245 715202 CC1=NC(=C2C(=C1)COC2=O)SCC(=O)NCCC3=CC=CC=C3 1 2.616 2 3 -16.4003413052813 715201 CN1C2=CC=CC=C2N=C1NCC3=C(C(=CC=C3)OC)O 1 2.754 3 2 1.14356407884709 715200 CC1=NC(=C2C(=C1)COC2=O)SCC(=O)N(C)C3=CC=CC=C3 1 2.494 2 3 -12.4526607622571 715198 CC1=CC(=NC2=NC(=NN12)SCC(=O)NC3=CC=C(C=C3)F)C 1 2.71 5 1 -13.3412051851984 715197 CCCN(CCC)S(=O)(=O)C1=NN2C(=CC(=NC2=N1)C)C 1 2.188 5 2 0 -11.9699355663543 715193 CC1=CC(=NC2=NC(=NN12)S(=O)(=O)N(C)C3=CC=CC=C3)C 1 2.02 5 2 0 -9.87688887675234 715192 CC1=CC(=NC2=NC(=NN12)S(=O)(=O)NCCC3=CC=CC=C3)C 1 2.142 5 2 0 -8.94383787689005 715190 CC(C)CN(C#N)C1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3 1 0.634 7 2 0 -3.90231147405649 715184 CN1C2=CC=CC=C2N=C1CNC3=NC4=CC=CC=C4N3C 1 2.927 5 0 -1.80233986592153 715178 CN1C2=CC=CC=C2N=C1CNC3=CC=C(C=C3)Cl 1 3.801 3 0 2.77215432190967 715162 CN(C1=CC=CC=C1)C(=O)CSC2=NC(=NN2C3=CC=CC=C3)N 1 3.072 5 1 -7.78290016754504 715159 CC1=CC(=NO1)NC(=O)C2=CC(=CN=C2)Br 1 1.351 3 2 0 -12.8284433549757 715155 C1CCN2C(=NC3=C2C=CC(=C3)C(F)(F)F)C1 1 3.466 2 0 3.03994250825209 715153 CCN1C2=CC=CC=C2N=C1NCC3=C(C=CC(=C3)Cl)O 1 3.784 3 1 4.71385621891943 715151 CN1C2=CC=CC=C2N=C1NCC3=C(C=CC(=C3)Br)O 1 3.519 3 1 3.84786649544936 715146 CC(=O)N(CC(=O)O)C1=CC=CC=C1C(=O)O 1 0.267 1 5 0 -9.78193519062239 715143 CCCN1C2=CC=CC=C2N=C1NCC3=C(C=CC(=C3)C)O 1 4.129 3 1 1.45300377893363 715141 CC1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(S2)Br 1 2.546 2 2 -3.80062499645933 715137 CN1C2=CC=CC=C2N=C1NCC3=CC=CC=C3O 1 2.77 3 1 2.97127743531916 715136 CS(=O)(=O)NCC1=CC=C(C=C1)C(=O)NC2CCCCC2 1 1.814 2 3 0 -10.6267993328664 715107 CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N(C1=O)CC 1 0.507 3 3 0 -8.52810760080004 715106 CC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=NC=C3 1 3.493 2 0 7.43957578369785 715101 C1CN(CCN1C2=NC(=CS2)C3=CC=CC=C3)C(=O)C4=NC=NN4 1 1.364 6 1 0 -1.1759676028841 715100 CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N(C1=O)CC 1 0.606 3 4 0 -18.1225080167665 715098 CS(=O)(=O)NCC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2 1 1.539 2 3 0 -11.8875110070982 715082 COC1=CC(=C(C=C1C(=O)N2CCCC2)OC)OC 1 1.655 1 4 0 -11.1257235247075 715075 C1C2=C(C=CC(=C2)N)OC3=CC=CC=C3O1 1 2.38 1 2 1.57802512878845 715069 CCOC1=C(C=C(C=C1)C2=CSC3=NCCN23)[N+](=O)[O-] 1 2.056 3 3 -4.97962034948198 715068 CCOC1=C(C=C(C=C1)CC(=C2C(=O)CC(CC2=O)(C)C)N)OCC 1 2.471 1 4 -13.0993412891091 715067 CCOC1=C(C=C(C=C1)C2=CSC3=NCCN23)Cl 1 2.826 2 1 -1.91126087900613 715064 C1=CC(=CC(=C1)N2C(=C(N=N2)CO)CO)C(F)(F)F 1 1.615 3 2 0 3.70813585616101 715063 C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)NN)F 1 2.064 2 1 0.395236715139217 715062 CN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-] 1 1.373 4 5 0 -10.7667874172903 715061 C1CN(C(=O)N1)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 0.862 3 3 0 -17.344161447192 715060 C1CN(C(=O)N1)CCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 -0.152 4 5 0 -24.2408944713556 715059 C1CN(C(=O)N1)CCNS(=O)(=O)C2=CC=C(C=C2)F 1 0.159 3 3 0 -17.5952795850999 715058 CN1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.041 2 3 0 1.15112124606208 715055 COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=N2)N)CCl 1 1.609 5 2 0 -1.50913204219112 715046 CC1=CC(=C(S1)C)S(=O)(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.165 2 4 -4.03594452246021 715044 CC1=CC(=C(S1)C)S(=O)(=O)N2CCOCC2 1 0.587 1 3 0 -13.5725730665938 715043 CC1=CC(=C(S1)C)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C 1 1.391 2 3 0 -6.39547016278092 715042 CC1=CC(=C(S1)C)S(=O)(=O)NCC2=CC=CO2 1 1.459 1 3 0 -6.45169382429039 715023 COC1=NC=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2Cl 1 2.361 2 3 -2.86530571071353 715021 CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)N 1 2.646 1 2 -2.70611483583966 714989 CCC1=CC=C(C=C1)NS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)OC 1 3.429 2 3 -3.09401938914188 714986 C1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2Cl 1 2.535 1 2 -10.9650356269096 714981 CC1=CC(=NC(=C1C#N)OC2=CC=C(C=C2)O)C 1 3.184 2 2 0.58580204492246 714974 CC1=CC(=NC2=NC(=NN12)S(=O)(=O)NC3CCCCC3)C 1 2.096 5 2 0 -11.559587198602 714973 CC1=CC(=NC2=NC(=NN12)S(=O)(=O)NC3=CC(=CC=C3)OC)C 1 1.798 5 3 0 -6.27243473302962 714971 CC1=CC(=NC2=NC(=NN12)S(=O)(=O)N(CC(C)C)CC(C)C)C 1 2.827 5 2 0 -11.1350066443843 714969 COC1=NC(=NC(=N1)N(CC=C)C#N)N2CCCC2 1 1.586 6 1 0 -7.64442087035883 714968 CC1CCN(CC1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 4.392 2 1 -2.10705114141102 714967 COC1=NC(=NC(=N1)N(CC(=O)N)C#N)N2CCCC2 1 -0.177 7 2 0 -5.56482741536641 714962 CC(C)N(C#N)C1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3 1 0.169 7 2 0 -3.27573932310958 714956 CN(C#N)C1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3 1 -0.557 7 2 0 -2.34652385152563 714914 C=C1CN2C(=NN=C2S1)C3=CC=C(C=C3)Cl 1 3.14 3 0 3.2602246148283 714899 COC1=C(C=C(C=C1)/C=C/C(=O)C2(CCCCC2)O)OC 1 3.251 0 4 -3.01933015255344 714895 CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3F)C 1 4.051 2 1 0.645966506413828 714866 C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CC4=CC=CO4 1 0.875 1 3 0 -2.54642299597271 714841 C1=CC(=C(C=C1F)F)NC(=O)CSC2=NN=NN2CC(=O)O 1 0.752 5 3 0 -24.4971806032592 714839 C1=CC=C2C(=C1)N=C(O2)NC3=CC=CC=C3Cl 1 3.474 2 1 3.13733587884602 714833 CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)OC)C)Br 1 3.088 2 2 -2.17298203936393 714823 CCOC1=C(C=C(C(=C1)C#N)NC(=O)C2=C(N=CC=C2)Cl)OCC 1 2.881 3 3 -8.33641736564431 714819 CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)C3=CN=CC=C3 1 2.099 5 1 -10.7590083506691 714816 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4O 1 4.068 2 2 -3.31946042556943 714814 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CN=CC=C3 1 2.099 5 1 -13.8048651633132 714813 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)O 1 4.068 2 2 -3.12830835492197 714812 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)O 1 4.068 2 2 -3.99093216238659 714802 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C/3\C(=O)NC(=O)N3 1 0.753 4 2 0 -11.6429883354252 714794 CC1=CC(=NO1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC(C)C 1 1.977 3 4 0 -20.9032758864771 714792 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 1 3.473 1 3 -6.28559865380968 714775 C1=CC(=CC(=C1)F)C(=O)NC2=CNC(=O)NC2=O 1 -0.318 3 3 0 -12.7455561265639 714766 CCC(=O)OCCN1C(=O)C2=CC=CC=C2C3=CC=CC=C3C1=O 1 2.887 1 4 -8.46056500264617 714764 COC1=CC(=CC(=C1OC)OC)C=NNC(=S)NC2=CN=CC=C2 1 2.886 4 3 0 -9.37803693390418 714760 CC(C)N(CC1=CC=CC=C1)C(=S)NC2CCCCC2 1 5.361 2 0 -8.89329656317046 714759 CC1=CC=CC=C1C2=NC3=CC(=C(C=C3C(=O)O2)OC)OC 1 3.594 1 4 -5.99124016754408 714755 CC(C)N(CC1=CC=CC=C1)C(=S)NCCN2CCOCC2 1 3.329 3 1 -11.1053261065523 714743 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC3=CC=C(C=C3)OC 1 3.079 5 2 0 -2.55625098238932 714738 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CN(C)C3CCCCC3 1 2.367 7 3 0 -24.4618650481161 714737 CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)OC 1 2.897 2 3 -8.50309810354095 714735 CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC 1 2.25 3 2 -10.7683345396967 714733 CC1=C(C(=CC=C1)C)NC(=S)NCCC2=CC=CC=N2 1 4.38 3 0 -10.6836628822443 714731 CCCN(CC1CC1)C(=S)NC2=CC=C(C=C2)C(=O)C 1 4.48 2 1 -14.4717010343941 714727 CCN(CC1=CC=NC=C1)C(=S)NC2=CC=CC=C2 1 3.829 3 0 -9.02541143543169 714726 CCN(CC1=CC=NC=C1)C(=S)NC2=CC=C(C=C2)Cl 1 4.494 3 0 -7.04675860647153 714722 CCN(CC1=CC=NC=C1)C(=S)NC2=C(C=CC=C2C)C 1 4.802 3 0 -10.053908626806 714721 CCOC1=CC=CC=C1NC(=S)N2CCCC3=CC=CC=C32 1 5.583 2 1 -12.2264136880782 714712 C=CCN(CC=C)CC1=CNC2=CC=CC=C21 1 3.43 2 0 -3.93479314907769 714698 C1COCCN1C2=C(C=CC=N2)C(=O)NC3=CC=CC=C3 1 1.853 3 2 0 -5.14644991674486 714697 CC1=CC=CC2=C1NC(=C(C2=O)CN3CCCCCC3)C 1 3.62 2 1 -4.55849809387713 714696 COC1=CC=CC(=C1)NC2=C(C=CC=N2)C(=O)NC3=CC=CC=C3 1 3.536 3 2 -2.94429892805874 714693 CC1=CC2=C(C=C1)N3C=CC(=O)N=C3S2 1 2.469 2 1 -4.03547189498918 714678 C1CN2C(=O)N(C(=O)N2C1)C3=CC=CC=C3 1 1.02 3 2 0 -2.64990928167582 714675 CCCN1N=C(N=N1)NC(=O)C2=C(N=CC=C2)Cl 1 1.786 6 1 0 -6.45718188591672 714674 CC1=CC(=NO1)NC(=O)CSC2=NC=NN2 1 0.448 5 2 0 -21.6283640229204 714668 CCCN1C(=NN=N1)NCC2=CC=CC=C2OCC3=CC=CS3 1 2.781 5 1 -19.8763884044921 714665 CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OC)C 1 2.318 1 4 -5.8458202225788 714653 CC1=C(C=C(C=C1)NC(=S)N(C)CCC2=CC=CC=N2)C 1 4.916 3 0 -7.26570045452894 714649 CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CS2)C(=O)OC 1 2.427 1 4 -6.02257437883619 714648 C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC(=C(C=C3)F)F 1 3.476 3 1 -5.52415959868921 714647 CCCN(CC1CC1)C(=S)NC2=CC=CC=C2F 1 4.946 2 0 -10.2687585113498 714646 CC(C)NC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 1 3.228 3 2 -10.9912787980524 714645 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3O2 1 2.195 3 3 -9.98148039907857 714637 C1=CC=C(C=C1)NC(=O)CCSC2=NC3=CC=CC=C3O2 1 3.323 2 2 -6.46779288832244 714559 CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2F)N 1 2.841 2 3 -4.61856492821558 714589 CC1=CC(=C(S1)C)/C=C(\C#N)/C(=O)OC 1 1.945 1 2 0 -6.41982993066056 714587 CC1=C(C(C(=C(N1C)C)C(=O)OC)C2=CC=CC=N2)C(=O)OC 1 1.475 2 4 0 -10.1366480413206 714579 C1CCN(CC1)C(=S)NC2=CC=CC=C2F 1 4.17 2 0 -10.3140821701917 714569 C1=CC=C(C(=C1)NC(=S)NC2=CC=CC=C2F)F 1 4.777 2 0 -4.38469976887555 714553 CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCOCC2)N 1 0.953 2 4 0 -7.56855061904638 714543 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NN 1 1.294 3 1 0 -0.223872211905291 714538 CCC1=C(C(=CC=C1)CC)NC(=S)NCC2=CC3=C(C=C2)OCO3 1 5.748 2 2 -8.57727278275054 714532 C1=CC=C(C=C1)CCNC(=S)NC2=C(C(=C(C=C2)F)F)F 1 5.033 2 0 -7.44286072399459 714527 C1=CC=C(C=C1)CC(=O)NC2=NON=C2NC(=O)C3=CC=CC=C3 1 2.316 4 3 0 -11.7354414140214 714521 CCOC1=C(C=C(C=C1)CC(=O)C2C(=O)CCCC2=O)OCC 1 2.383 0 5 -8.79911794170951 714518 CCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)OCC)C 1 3.101 4 2 -9.01613224938196 714514 CCC(=O)NC1=CC(=CC=C1)OC2=C(C(=CC(=N2)C)C)C#N 1 3.213 3 2 -6.52808395573661 714504 CC1=CC(=C(C=C1)C)NC(=S)NC2=CN=CC=C2 1 4.188 3 0 -6.13945545328834 714502 COC1=C(C=C(C=C1)C=NN2CCOCC2)O 1 0.993 2 3 0 1.53293738616737 714484 CC1=CC(=C(C(=C1)C2(CCCCC2)C)O)CN3CCOCC3 1 4.232 1 2 -0.201248125740335 714483 CC1=CC(=C(C(=C1)C2(CCCCC2)C)O)CN(C)C 1 4.545 1 1 2.66048701564165 714480 C1CN(CCN1C2=CC=C(C=C2)O)C(=S)NCCC3=CC=CC=C3 1 4.485 3 1 -5.43816403863906 714479 C1CN(CCN1C2=CC=CC=C2O)C(=S)NCC3=CC=CC=C3 1 4.164 3 1 -6.40871419551066 714476 COC(=O)CC1=NN(C(=O)C1)C2=CC=CC=C2 1 1.159 2 3 0 -8.60665485927034 714475 C1COCCN1C2=C(C=CC=N2)C(=O)NC3=CC(=CC=C3)F 1 2.058 3 2 -3.19879011274107 714469 C1=CC=C(C=C1)CCNC2=C(C=CC=N2)C(=O)NC3=CC=CC=C3 1 3.716 3 1 -5.45999135736823 714435 COC1=CC=CC=C1NC2=NC=NC3=CC=CC=C32 1 2.823 3 1 4.88322892213221 714434 CC1=NC2=C(C(=C1)COC)C3=C(S2)C(=O)N(N=N3)CC4=CC=CO4 1 2.885 4 3 0 -13.8100467369523 714429 CCOC(=O)CSC1=NN2C(=CC(=NC2=N1)C)C 1 1.924 4 2 0 -15.7483153214148 714424 C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O 1 2.213 1 4 -1.68401587275131 714410 C1CCN2C(=O)N(C(=O)N2C1)C3=CC=CC=C3 1 1.6 3 2 0 -3.35396217818925 714409 CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)O)C 1 1.499 2 3 0 -12.8336528916606 714398 CC12CN3CC(C1=O)(CN(C2)C34CCSCC4)C 1 1.638 2 1 0 -4.25188675835221 714397 CCCC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=NC=C2 1 2.893 2 2 -3.02380040794949 714396 C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C=NC4=CC=CC=C4C3=O 1 1.378 3 4 0 -14.0578926580278 714395 C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NCCC2=CC=NC=C2 1 1.389 3 4 0 -5.85997619557464 714394 C1CCC(CC1)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br 1 2.114 5 3 0 -12.2325891690155 714386 C1CN2C(=O)N(C(=O)N2C1)C3=CC(=CC=C3)Cl 1 1.684 3 2 0 1.55769443698234 714364 C1COCCN1CCNC(=S)NC2=C(C=C(C=C2)Cl)F 1 3.208 3 1 -7.15722138255869 714358 CC1=CC(=NC(=N1)NC2=NCC(=O)N2C3=CC(=C(C=C3)F)Cl)C 1 2.636 5 1 -2.69152180300899 714351 CC1=C(N2C=CC=CC2=N1)C(=O)NN=CC3=CC=C(C=C3)F 1 2.34 4 1 -4.40877859096064 714343 CN1CCC(CC1)N(C)C(=S)NC2=CC(=CC=C2)OC 1 3.142 3 1 -2.91235768874359 714341 CN(CCC1=CC=CC=N1)C(=S)NC2=C(C=C(C=C2)Cl)Cl 1 5.273 3 0 -4.31539376545318 714338 CN1CCC(CC1)N(C)C(=S)NCCC2=CC=CC=C2 1 3.209 3 0 -4.81901585038984 714336 CN1C=C(C=CC1=O)C(=O)NN=CC2=CC(=CC=C2)O 1 0.453 3 3 0 -5.25314793546208 714319 CC1(CC2=CC=CC=C2C(=N1)NNC(=O)C3=CC=CC=C3)C 1 2.789 3 1 -4.39033343869476 714311 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NN=CC3=CC=CO3 1 1.66 3 3 0 -17.0071635719446 714306 CC12CN3CC(C1=O)(CN(C2)C3C4=C(C=C(C=C4)Cl)Cl)C 1 3.628 2 1 -2.70322871001578 714300 CN1C=C(C(=N1)C(=O)NN=CC2=CC=CC=C2)[N+](=O)[O-] 1 1.656 5 3 0 -8.44008189781657 714299 CC1=C(C2=NSN=C2C=C1)NC(=O)C3=CC4=C(C=C3)OCCO4 1 3.014 3 3 -7.4660991906822 714295 CC1=CC(=NC(=C1C#N)SC2=NN=NN2C3=CC=CC=C3)C 1 3.413 6 0 -15.394786660453 714291 C1=CC(=CC=C1C2=CC=NN2)Cl 1 2.748 2 0 -0.901647363197141 714288 CC1=CC(=NC(=C1C#N)OC2=CC=CC(=C2)NC(=O)C)C 1 2.546 3 2 -6.59448449949468 714273 C1CCN(C1)C2=NC(=NC(=N2)C#N)N3CCCC3 1 0.974 6 0 0 -1.18125352492899 714270 C1CCN(C1)C2=NC(=NC(=N2)N(C(=O)N)N)N3CCCC3 1 -6.7e-002 8 1 0 -1.02413368940451 714267 CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC=CC=C3F)N)C 1 3.044 3 1 -5.85216553507335 714249 C1=COC(=C1)C2=C(OC(=C2C#N)N)C3=CC=CO3 1 2.309 2 3 3.84842264423032 714247 C1COCCN1C2=CC=CC=C2NC(=O)C3=C(N=CC=C3)Cl 1 2.187 3 2 -4.39554812913477 714205 COC1=CC=C(C=C1)C2=CSC(=N2)NC3=CN=CC=C3 1 2.519 3 1 7.0890060582273 714196 C1CC1NC2=NC(=NC(=N2)N3C=CN=C3)C4=CC=CC=C4 1 2.103 6 0 1.54174508861128 714193 CC(C)NC1=NC(=NC(=N1)N2C=CN=C2)C3=CC=CC=C3 1 2.34 6 0 -0.694126953480762 714182 C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4 1 2.89 4 1 -1.90442177252982 714180 CN(C1=CC=CC=C1)C2=NC(=NC(=N2)N3CCCC3)N4C=CN=C4 1 2.3 7 0 0 2.44373407742371 714174 CC1=C(C(=CC=C1)C)NC2=NC3=CC=CC=C3O2 1 3.782 2 1 1.14445520582006 714168 CC(C)CCN1C2=CC=CC=C2N=C1C3=NON=C3NC(=O)C 1 2.949 5 2 0 -7.6761012046069 714167 COC(=O)C1=CC=C(C=C1)NC(=O)CON=C2CCCC3=NON=C32 1 1.189 4 5 0 -9.72826155623328 714165 C1=CC=C(C(=C1)OCC2=NC(=C(O2)NCC3=CC=C(C=C3)F)C#N)F 1 3.722 3 2 -5.83690456708832 714160 CCCN1C2=CC=CC=C2N=C1CNS(=O)(=O)C3=CC=C(C=C3)C 1 3.598 3 2 -2.26136323516386 714151 CC1=CC(=CC=C1)OCC2=NC(=C(O2)NCCN(C)C)C#N 1 2.353 4 2 -4.66473514909463 714147 C1CC1C2=CSC(=N2)NC3=CC=C(C=C3)Cl 1 3.444 2 0 5.69817857174128 714146 CC1=CC=C(C=C1)NC2=NC(=CS2)C3CC3 1 3.266 2 0 3.87617988115446 714130 CCCC(=O)NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC=N3 1 2.569 3 2 -3.4148944600752 714125 COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-] 1 2.278 2 6 0 -13.838085439444 714083 COC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC3CCCC3 1 2.245 5 2 0 -25.1675185297052 714079 CC(C)(C)NC(=O)CSC1=NN=NN1C(C)(C)C 1 1.146 5 1 0 -23.5365760726908 714078 C1=CC=C(C=C1)CNC(=O)CN2N=C(N=N2)C3=CC=CC=C3 1 2.148 5 1 -9.6176209958632 714077 C1=CC(=CC=C1C(=O)CSC2=NC=NC3=C2NC=N3)[N+](=O)[O-] 1 1.993 5 3 0 -7.55073672739341 714070 COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNN=N3 1 2.721 4 3 0 -2.45879696286517 714064 C1=CC=C(C(=C1)CN2C=CC=C(C2=O)[N+](=O)[O-])Cl 1 1.872 2 3 0 -4.01019872257364 714063 COC1=CC(=C(C=C1)NC(=O)CON=C2CCCC3=NON=C32)OC 1 1.301 4 5 0 -11.2117630950423 714054 C1CCCN(CC1)C2=C(N=C(O2)COC3=CC=C(C=C3)Cl)C#N 1 4.119 3 2 -4.64416639703541 714052 CC(C)C(=O)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC=N3 1 2.575 3 2 -1.16460905531317 714050 C1=CSC(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4 1 2.868 3 2 4.39783159876682 714044 C1CCCN(CC1)C2=C(N=C(O2)COC3=CC=CC=C3F)C#N 1 3.66 3 2 -6.75589866190546 714041 C1CCCN(CC1)C2=C(N=C(O2)COC3=CC=CC=C3Cl)C#N 1 4.119 3 2 -7.08145570725631 714038 C1=CC=C(C=C1)CCNC2=C(C=CC=N2)C(=O)NC3=CC(=CC=C3)F 1 3.922 3 1 -3.31669431784097 714033 C1CCCN(CC1)C2=C(N=C(O2)COC3=CC=CC=C3)C#N 1 3.455 3 2 -6.95439909959104 714032 COC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)N3CCOCC3 1 1.836 3 3 0 -5.30536776099087 714030 COC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)N3CCCCC3 1 3.066 3 2 -3.71628163827811 714029 C1CCN(C1)C2=C(N=C(O2)COC3=CC(=CC=C3)Cl)C#N 1 3.207 3 2 -4.75779115538444 714023 C1CN(CCN1C2=C(C(=NC=N2)Cl)N)C3=C(C(=NC=N3)Cl)N 1 1.396 8 0 0 3.91559562255892 714021 C1CCN(CC1)C2=C(N=C(O2)COC3=CC=CC=C3)C#N 1 2.998 3 2 -6.95439909959104 714012 CC1=NC2=CC=CC(=C2O1)C(=O)NCC3=CC=CC=C3 1 2.408 2 2 -7.50823721095476 714003 CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(C2=O)N3CCOCC3 1 1.051 2 5 0 -8.84164728721362 713991 CC1=NC2=CC=CC(=C2O1)C(=O)ON=C3C=CC(=O)C=C3 1 2.029 2 4 1.82180689471273 713989 CC1=CC(=O)C=CC1=NOC(=O)C2=C3C(=CC=C2)N=C(O3)C 1 2.475 2 4 2.6948394177029 713988 CC1=CC(=NOC(=O)C2=C3C(=CC=C2)N=C(O3)C)C=CC1=O 1 2.475 2 4 -0.239023261826749 713983 CC1=CC(=O)C(=CC1=NOC(=O)C2=C3C(=CC=C2)N=C(O3)C)C(C)C 1 3.63 2 4 5.28334450227227 713980 CC1=C(C(=C(N1CC(OC)OC)C)C(=O)C)C(=O)C 1 0.838 1 4 0 -8.17865805292402 713979 CN(CC1=CC=CC=C1)C2=C(N=C(O2)COC3=CC=CC=C3F)C#N 1 3.87 3 2 -2.18306209934297 713963 CN1C2=CC=CC=C2C3=C1C(=O)SCC3 1 3.109 1 1 -0.569129350318748 713960 CC1=NOC(=C1C(=O)NC2=CC=C(C=C2)C(C)(C)C)N 1 2.129 3 2 -4.12326976776462 713954 CCN1CCN(CC1)C2=C(N=C(O2)COC3=CC=C(C=C3)Cl)C#N 1 3.052 4 2 -3.27141690447262 713952 CC(=O)NC1=C(N=NN1CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 2.061 5 2 0 -21.2468047586428 713948 C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=NN3)C4=CSC=C4 1 4.022 5 0 -0.691244693116834 713898 C1=CC=C2C(=C1)C(=CC(=O)N2)CSC3=CC=CC=N3 1 2.726 2 1 -10.2577560659794 713873 CC(=O)NC1=C(N=NN1CC2=CC=CC=C2)C(=O)NC 1 0.477 5 2 0 -18.5853201929438 713871 CNC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)NC(=O)C(F)(F)F 1 1.565 5 2 0 -18.0087939244525 713817 CC(C)OC1=C(C=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)N)O 1 1.866 3 4 0 -14.751039109457 713816 CCOC1=C(C=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)N)O 1 1.489 3 4 0 -14.6575258476132 713805 CC1=C(N=NN1C2=NC(=NC(=N2)OC)N3CCCC3)C(=O)C 1 1.568 7 2 0 -10.1482755305891 713796 COC1=NC(=NC(=N1)N2CCOCC2)N3C=CC=C3 1 1.598 5 2 0 -3.11630607906487 713794 C1CCC(CC1)OC(=O)NC(=O)C2=CC=C(C=C2)Cl 1 3.988 1 3 -5.47231559576582 713785 CC1=C(N=C(C(=C1C)C#N)SC2=NN=NN2C3=CC=CC=C3)C 1 3.899 6 0 -13.8220434968734 713783 CCSC1=NN2C(=CC(=NC2=N1)C)C 1 2.217 4 0 -6.88359436027286 713782 CC1=CC(=NC2=NC(=NN12)SCC(=O)OC)C 1 1.575 4 2 0 -14.9253811833476 713774 CC1=CC(=NC2=NC(=NN12)SCC3=NC4=CC=CC=C4N3)C 1 3.161 6 0 -10.1466407162809 713772 CC1=CC(=CC=C1)NC(=O)CSC2=NN3C(=CC(=NC3=N2)C)C 1 2.991 5 1 -12.49357115589 713771 C1=CC=C(C=C1)CNC(=O)NC(=O)C2=CC=C(C=C2)Cl 1 3.066 2 2 -5.98033854379155 713770 CC1=CC(=NC(=C1C#N)SCC(=O)NC(C)(C)C)C 1 2.399 3 1 -20.1817813453093 713749 COC(=O)CSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)F 1 4.344 2 2 -5.00201998065407 713747 CC1=CC2=C(C(=C(N2)C)C)C3=C1NC(=CC3=O)C 1 3.138 2 1 -3.06727453086791 713745 C1=CC=C(C=C1)N2C(=NN=N2)OC3=CC=C(C=C3)F 1 3.024 4 1 -4.2594654037447 713740 CC1=C(C=C(C=C1)N2C(=NN=N2)SC3=NC(=NN3C)[N+](=O)[O-])C 1 3.272 8 2 0 -9.31565220962253 713737 CSC1=NN=NN1C2=CC(=CC=C2)O 1 1.558 4 1 0 -6.89200725499066 713731 COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SC 1 1.655 4 2 0 -13.5047459160149 713725 C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C=NC4=CC=CC=C4C3=O 1 1.367 3 4 0 -15.8304588105294 713720 CN1C(=NN=C1SCC(=O)O)COC2=CC=CC3=C2N=CC=C3 1 1.911 4 3 0 -18.5091758920342 713719 C1CCC(CC1)C2=CC=C(C=C2)C3=CC(=O)NN3 1 2.656 2 1 1.3322950912166 713715 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=C(C=C3)OC 1 2.151 6 4 0 -21.3465504238798 713703 C1CN(C2=CC=CC=C21)C(=O)/C=C/C3=CC(=CC=C3)F 1 3.568 1 1 -2.79307583029002 713702 C1=CC=C(C(=C1)CSC2=NN=NN2C3=CC=CC(=C3)C(=O)O)Cl 1 3.678 4 2 -19.2544788790119 713701 CC(C)SC1=NC2=CC=CC=C2N1CC(=O)N 1 2.215 3 1 -5.43639259339081 713691 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)Cl 1 3.293 4 2 -17.2719968353224 713688 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)F 1 2.834 4 2 -18.4647681376478 713683 CC(C)C(=O)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC=N3)Cl 1 3.239 3 2 -1.24717059727462 713680 CCCC(=O)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC=N3)Cl 1 3.233 3 2 -2.58920505913636 713674 COC1=CC=CC=C1CSC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.071 3 3 -4.14566071365715 713672 CCN1C(=NN=C1SC)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl 1 5.239 3 0 2.00977899068775 713665 C1=CC(=CC=C1N2C(=NN=N2)SCC(=O)C3=CC(=C(C=C3)O)O)F 1 2.777 4 3 0 -8.65726824052385 713664 CSC1=NC2=C(CCCCC2)C=C1C#N 1 3.615 2 0 -9.91242967566719 713662 C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC(=O)N 1 2.469 3 1 -16.3667843091891 713661 C1CCC2=C(C1)C=C3C(=C(SC3=N2)C#N)N 1 2.684 3 0 -7.00722735564358 713660 C1=CC=NC(=C1)CSC2=NN=NN2C3=CC=CC(=C3)C(=O)O 1 2.078 5 2 0 -16.7472166776581 713659 C1=CC(=CC(=C1)F)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 2.834 4 2 -16.6751981529913 713644 CC1=CN(C(=N1)C)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 0.799 3 3 0 -4.48773661771039 713627 C1COCCN1CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 2.715 2 2 -2.56437112033085 713620 CC1=NNC(=NC1=O)SCC(=O)NC2=C(C=CC=C2Cl)Cl 1 2.517 4 2 -14.9054869705252 713604 CC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CN3C(=O)CCC3=O 1 1.992 2 3 0 -11.438845032685 713603 CC1=CC(N(C2=CC=CC=C12)C(=O)CN3C(=O)CCC3=O)(C)C 1 1.506 2 3 0 -11.4351520751072 713593 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)C 1 2.844 0 4 -8.1491463761724 713572 CC1(CC2=CC=CC=C2C3=C1C(=O)NC(=S)N3)C 1 2.849 2 1 -8.38770029199478 713555 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=C(C=C3)Cl 1 2.832 6 3 0 -19.1826284727839 713551 CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)O)C 1 3.986 4 2 -16.0682701695145 713547 CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=CC=CC=N3)C 1 3.42 5 0 -11.9249836214763 713529 CCOC(=O)C1=C(NC2=C(S1)C=C(C=C2)C)C 1 2.835 1 2 -8.735003104675 713501 CC1=CC2=C(C=C1)NC(=C(S2)C(=O)OC)C 1 2.487 1 2 -7.69634771944783 713485 C1COCCN1C(=S)C2=CN(C3=CC=CC=C32)CC(=O)O 1 2.336 2 3 -12.2545411174414 713481 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=S)N3CCOCC3 1 3.727 2 1 -5.60504083271815 713480 C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C=O 1 2.727 2 2 -8.65520253814842 713459 CC1=CC=C(C=C1)NC(=S)NCCC2=CNC3=CC=CC=C32 1 5.196 3 0 -10.9047103750365 713457 COC1=CC=C(C=C1)NC(=S)NCCC2=CNC3=CC=CC=C32 1 4.694 3 1 -11.3176765841807 713450 CN(C)C1=NC(=NC(=N1)SC)OC2=CC=C(C=C2)C(=O)OC 1 3.008 4 3 0 -6.37227627147312 713448 CCN1C(=O)C2=C(NC1=S)SC3=C2CCCC3 1 3.66 2 1 -10.1483091146218 713447 CCOC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)N(C)C)N(C)C 1 2.357 5 3 0 -7.5248150615827 713424 CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NC3CCCCC3)N 1 2.438 3 2 -8.77178474926566 713419 C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)O 1 2.611 2 3 5.18080838367546 713405 COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3O 1 2.588 2 4 -2.48712722670891 713384 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3 1 3.821 3 2 -12.5527239668197 713378 C1=CC(=NN2C1=NN=C2C(F)(F)F)N3C=CN=C3 1 1.41 6 0 0 -3.55619203268115 713368 C1CSC2=NC(=CN21)C3=CC=CS3 1 2.725 2 0 0.276415457749926 713367 CC1=CC=C(C=C1)C2=CSC(=N2)C(=C3CCCC3)C#N 1 4.905 2 0 -1.5427149795199 713364 C1CCC(=C(C#N)C2=NC(=CS2)C3=CC=CC=C3)C1 1 4.419 2 0 -2.0172313958351 713356 C1CN(CCN1C2=C(C=C(C=C2)C#N)F)C(=O)C3=CC(=CC=C3)F 1 3.163 3 1 -2.86526201664606 713343 COC1=CC=CC=C1C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 2.612 4 3 0 -18.7932291021953 713340 CC1=CC(=CC=C1)NC(=O)COC2=NSN=C2N3CCOCC3 1 1.606 4 3 0 -4.74530713546938 713339 C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=NC=CS3 1 2.76 2 3 -6.69390086654152 713338 CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)C 1 3.601 4 2 -17.4230191646471 713337 CC(=O)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)O 1 0.709 3 4 0 -3.50830867798728 713336 COC1=CC=CC=C1NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O 1 3.746 1 4 -8.30054765238804 713325 C1CN(CCC1C(=O)N)CC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 1.374 4 2 0 -0.451137435386709 713323 C1=COC(=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)Cl)Cl 1 4.471 4 1 -1.04274052348676 713311 COC(=O)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OCCO3 1 2.255 1 5 -14.8042276213046 713308 CCC(=O)C1=C(CCCC1=O)NCCC2=C(NC3=C2C=C(C=C3)C)C 1 3.578 2 2 -5.18780819852285 713306 CC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3 1 4.233 4 0 -2.32623817076621 713301 CCCC1=NN(C2=C1C(=O)CCC2)C3=C(C=CC(=C3)Cl)OC 1 4.501 2 2 -4.12538477061157 713295 CCCC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=C(C=CC(=C3)Cl)OC 1 4.959 2 2 -7.81616442091262 713290 C1=CC=NC(=C1)CNS(=O)(=O)C2=CC=C(S2)Cl 1 1.634 2 2 0 -1.80022717561562 713289 CCC1=NN(C2=C1C(=O)CCC2)C3=C(C=CC(=C3)Cl)OC 1 4.045 2 2 -5.75817200137611 713286 C1=CC(=CC(=C1)Br)CN2C=CC=C(C2=O)[N+](=O)[O-] 1 1.956 2 3 0 -2.88094067719514 713284 C1COCCN1C2=NSN=C2OCC(=O)N3CCOCC3 1 -0.563 4 4 0 -8.32393237886462 713255 CCNC(=S)NC1=CC=C(C=C1)CC2=CC=NC=C2 1 3.685 3 0 -8.17409023505401 713254 C1CCN(C1)C(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F 1 3.414 2 3 -3.78872083934774 713250 CCOC(=O)NC1=CC2=C(C=C1)N(C=N2)C3CCCCC3 1 3.522 3 2 -8.42012972343055 713248 CCC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)C(=O)OC3 1 3.001 1 4 -8.52607802125906 713234 CC(C)CCSC1=NC2=CC=CC=C2N1 1 4.009 2 0 -4.6826901990663 713232 CCOC(=O)NC1=CC2=C(C=C1C(=O)C)OCO2 1 1.45 1 5 0 -10.0940690440488 713228 C1CCN(C1)S(=O)(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 1.617 3 2 0 -1.41272364205118 713221 CSC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 2.645 1 4 -3.28064421793524 713220 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)N3CCCC3 1 -0.115 4 3 0 -12.8593160472874 713216 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C(=O)OC3)OC 1 1.893 1 6 0 -10.6292662658578 713214 CCOC(=O)NC1=CC2=C(C=C1)N=CN(C2=O)C 1 1.068 3 3 0 -6.36463282450662 713213 COC1=CC(=CC(=C1OC)OC)NS(=O)(=O)N2CCCC2 1 0.743 2 5 0 -6.43755956305768 713209 CN1C=NC2=C(C1=O)C=C(C=C2)NC(=O)OC 1 0.719 3 3 0 -6.35763768368983 713205 COC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 2.292 1 5 -6.93207904125941 713202 CC1=CC=C(O1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2N 1 2.335 3 3 -12.1158266930212 713198 C1CCN(C1)S(=O)(=O)NC2=CC=CC3=CC=CC=C32 1 1.701 2 2 0 -0.689199211588017 713184 CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4 1 4.259 3 2 -2.45441946413649 713182 CC1=CC=C(O1)C(=O)CSC2=NN=C(N2C)C3=CC=CS3 1 3.158 3 2 -7.85496019047038 713179 C1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)C(=O)O1 1 1.713 1 4 0 -6.12196188372756 713173 C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3N2CC#N 1 3.351 4 0 -2.51484855384155 713172 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=C(C(=C3)Cl)O)[N+](=O)[O-] 1 2.762 2 5 0 2.32141251303887 713168 CC1=CC(=NN1)C2=CC=CC=C2N 1 1.619 3 0 0 -0.153179778345997 713162 C1C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)O1 1 3.552 1 3 -6.83017482153688 713160 COC1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)OC3)OC 1 2.19 1 5 -10.8883996832473 713156 CN(C)C(=O)OC1=C(C=C(C2=C1N=CC=C2)Cl)Cl 1 3.314 2 2 -0.754890550812642 713151 C1COCCN1C(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)Cl 1 3.002 2 3 -3.35271909418741 713136 C1CCN(C1)C(=O)C2=CC=CC=C2N 1 0.958 2 1 0 -5.13202866787168 713135 C1CCN(CC1)C(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)Cl 1 4.231 2 2 -1.78442264441182 713129 C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3 1 1.89 1 4 0 -6.60287066705682 713127 COC(=O)NC1=CC2=C(C=C1)N(C=N2)C3CCCCC3 1 3.173 3 2 -8.41313458261376 713123 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC 1 2.811 2 2 -11.9195924806629 713117 CC(C)CN1C2=C(CCCC2)C(=S)N=C1C3=CC=CC=C3 1 4.782 2 0 -10.1531304316281 713115 COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=NC=C3 1 2.851 2 3 -6.85604382025998 713114 CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCC3 1 2.575 2 2 -13.3252353225873 713113 CC1=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C(N1CC(C)C)C 1 3.594 1 2 -3.08094300823309 713101 CN(C)S(=O)(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)O 1 0.512 2 4 0 -19.9633789565836 713096 C1C2=CC=CC=C2C(=O)N(C1=O)CCC3=CC=CC=C3 1 2.801 1 2 -2.10342316583199 713091 C1=CC=C2C(=C1)C=CC=C2CC3=NNC(=S)N3N 1 2.347 4 0 -4.47785799562561 713089 CC1=C(C=C(C=C1)C2=NNC(=S)N2C)Cl 1 3.252 3 0 -2.05222829916103 713082 CCCC(=O)C1=C(CCCC1=O)NCCC2=C(NC3=CC=CC=C32)C 1 3.548 2 2 -9.15435021930863 713070 COC1=CC(=NC(=N1)NC(=O)CSC2=NC3=CC=CC=C3O2)OC 1 2.863 4 4 0 -11.4913546235237 713068 CC1CCN(CC1)C(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)Cl 1 4.483 2 2 -4.47353224831624 713065 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)C3CC3 1 3.151 4 1 -12.0320704294241 713040 CC1(CC(=CC(=O)C1)NCCC2=CNC3=CC=CC=C32)C 1 3.047 2 1 -16.9230796107939 713038 CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCOCC3)OCO2 1 0.152 2 5 0 -13.0155996400973 713037 CCOC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2Cl 1 2.492 2 3 -8.35121544734569 713015 COC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)NC3=CC=CC=C3 1 3.536 3 2 -3.3820981059699 713013 C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CO4 1 3.46 2 3 6.01691640390108 712995 CC1=NN(C(=C1C2=CC=CC=C2)N)C(=O)C3=CC4=C(C=C3)OCO4 1 2.875 3 3 -2.76420667001057 712991 C1OC2=C(O1)C=C(C(=C2)C#N)N3C=CC=C3 1 2.353 2 2 -2.66900343561343 712987 C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C=NC4=CC=CC=C4C3=O 1 1.851 4 2 0 -7.49295124576962 712981 C1CCC2(C1)CC3=CC=CC=C3C(=N2)NNC(=O)C4=CC=NC=C4 1 2.314 4 1 -3.000138340688 712967 CCCC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=CS3)OCCO2 1 3.216 1 4 -13.7693207256404 712949 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC(=CC(=C3)C)C 1 4.118 3 2 -2.29334969336756 712941 C1=CC(=C(C=C1Cl)Cl)CSC2=NSC(=N2)N 1 3.928 3 0 -0.21121400646311 712934 C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 2.235 1 4 -17.4792659730248 712926 CC1=CC=C(O1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.328 2 4 0 -9.15834342576013 712921 C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4 1 3.145 3 2 1.88761731421616 712919 C1=CC=C2C(=C1)C=CC(=N2)/C=C/C(=O)O 1 2.542 1 2 2.55776546174178 712918 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NN 1 1.066 4 2 0 -8.76180875338021 712904 CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)NC 1 3.022 2 2 -16.1151029633398 712900 C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CC=C3 1 2.33 2 2 -11.7378843128522 712899 CC1=CC(=NN1C(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C 1 2.851 3 2 -14.1592995528183 712837 C1=CC(=CC=C1CSC2=NNC3=NC(=O)C=C(N32)N)C#N 1 1.739 6 1 0 -17.900932370365 712888 CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=CC=C3)CC(=O)O)C(=O)O 1 3.743 1 4 2.83745575200613 712887 C1=CC(=CC=C1NC(=O)NCCC2=CC=NC=C2)Cl 1 2.364 3 1 -4.33394758671397 712879 C1CCC(=CC1)CCNC(=O)/C=C/C2=CC=C(C=C2)F 1 4.038 1 1 -8.5829931672208 712868 CCOC(=O)C1=C(C2=CC3=C(CC(OC3)(C)C)N=C2S1)N 1 2.092 2 3 -18.5850974581704 712861 CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)C3=CC=CC=C3 1 3.892 3 0 7.58689717640415 712829 COC1=C(C=C(C=C1)C(=O)CSC2=NC=NN2)OC 1 1.896 3 3 0 -12.0815615304149 712813 C1=CC=C(C(=C1)CSC2=NC(=O)C=C(N2)N)Cl 1 2.482 3 1 -12.0785886580204 712811 CC1=CC(=NC2=NN=C(N12)SCC3=CC=CC=C3Cl)C 1 4.116 4 0 -12.9529754415936 712803 CC1=NN(C2=C1C3=NC(=NC=C3CC2)N)C4=CC=CC=N4 1 2.141 6 0 0.465336124140096 712798 CC1=NN(C2=C1C3=NC(=NC=C3CC2)N4CCOCC4)C5=CC=CC=N5 1 2.117 6 1 0 3.05412515384272 712797 CN1C2=CC=CC=C2N=C1C(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.256 3 3 -4.34542349841778 732488 CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.231 2 1 -1.9080320440523 732486 C1CCC(CC1)NC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.579 2 3 -10.4220148407068 732479 C1=CC(=CC=C1C(=O)CNC(=O)C2=CC=C(C=C2)Cl)Cl 1 3.622 1 2 -5.96915916461767 732475 C1=CC=C(C=C1)C(=O)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.188 2 4 -10.0372750871111 732474 C1=CC=C(C=C1)C(=O)CNC(=O)C2=CC=C(C=C2)Br 1 3.042 1 2 -7.57753835426853 732440 COC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=CO2 1 2.66 2 3 -11.6628292377742 732439 C1CCC(CC1)NC(=O)NCC2=CC=CO2 1 1.993 2 2 0 -10.8802475780242 732428 CC1=CC(=O)N=C(N1)NN=C/C(=C/C2=CC=CC=C2)/C 1 2.214 4 1 -13.3641971902454 732426 CC1=CC(=O)N2C(=N1)C(=C(N2)C(F)(F)F)C3=CC=CC=C3 1 1.966 3 1 0 -1.85193763891748 732403 CCC(=O)NCCC1=NC2=CC=CC=C2N1 1 1.581 3 1 0 -8.02705215756036 732401 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)Br 1 4.099 1 1 -7.69311776220043 732397 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC=C(C=C3)F 1 2.784 3 1 -6.20965572295701 732392 C1C2=C(C=C(C=C2)NC(=O)CCC3=CC=CC=C3)C(=O)O1 1 2.714 1 3 -11.3858421214624 732389 C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 4.181 1 2 -5.97048618915749 732372 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=CC=CO3 1 3.014 2 3 -13.311724767169 732361 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)F 1 2.484 2 3 -9.96079816600572 732359 CCOC(=O)CC1=CSC(=N1)NC(=O)C(C)(C)C 1 2.161 2 3 -15.9988632541158 732358 CCC(=O)NC1=NC(=CS1)CC(=O)OCC 1 1.281 2 3 0 -10.0727026799089 732342 C1CCCN(CC1)C(=S)NC(=O)C2=CC=CC=C2Cl 1 4.485 2 1 -11.9110568776946 732340 C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)Br 1 3.201 1 2 -5.89893948299148 732339 CC1=CC=CC(=C1)C(=O)NNC(=O)NC2=CC=CC=C2 1 2.265 3 2 -5.37274842159972 732336 CC1=CC=CC(=C1)C(=O)NNC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.241 3 4 0 -10.2504335762771 732327 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CO2 1 1.752 2 3 0 -4.92724259211338 732323 CC1=CC=CC(=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)OC 1 2.176 2 4 -8.79072265731748 732317 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)F 1 2.563 2 2 -3.56897463400721 732314 CCN(CC)C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2 1 3.382 3 1 -7.41415244762256 732301 CCN(CC)C1=CC=C(C=C1)NC(=O)C(C)C 1 2.939 2 1 -13.5198952889148 732300 CC1=CC=CC=C1C(=O)NNC(=O)NC2=CC=CC=C2 1 2.265 3 2 -9.39378604889934 732297 CC1=CC=CC=C1C(=O)NNC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.241 3 4 0 -14.2714712035767 732294 CC1=CC=CC=C1C(=O)NNC(=O)/C=C/C2=CC=CC=C2 1 2.825 2 2 -9.43674680234087 732278 C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CO3 1 1.725 2 3 0 -10.036384347156 732271 CC1(N=C(NC(=N1)NC2=CC=CC=C2OC)N)C 1 0.943 5 1 0 -1.70447916408943 732270 CC1(N=C(NC(=N1)NC2=CC=CC=C2Cl)N)C 1 1.623 5 0 0 0.671689072459325 712791 CC1(CC2=C(C(=O)C1)C(=NN2)C3=CN=CC=C3)C 1 1.919 3 1 0 -5.6033153486605 712790 CC1=CC=C(C=C1)C2=NC(=O)NC3=CC=CC=C32 1 3.507 2 1 -4.78491401668229 712788 CC1(CC2=C(C(=O)C1)C(=NN2)C3=CC=CS3)C 1 3.023 2 1 -6.6937766384951 712768 CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3C#N 1 1.362 5 2 0 -9.21520184032157 712763 CC1=C(SC=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3 1 2.691 2 2 -2.59440130423901 712760 CC1=CN(C(=O)NC1=O)CC(OC)OC 1 -0.422 2 4 0 -10.9644714083686 712753 C1=CC=C(C=C1)N2C(=O)C3=C(N2)N=C(C=C3C(F)(F)F)C(F)(F)F 1 4.291 3 1 -0.264413817913681 712750 CC1=CC(=NC2=C1C(=O)N(N2)C3=CC=CC=C3)C 1 2.746 3 1 -2.67133930202477 712747 CCC1=NN=C(S1)NC(=O)CSC2=NC3=C(C=CC=C3N2)C 1 2.953 5 1 -13.3563206917642 712745 CC(C)(C)NC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C 1 -0.109 5 3 0 -25.8565171200222 712744 C1=CC=C(C=C1)N2C(=NN=N2)N3C=NC4=CC=CC=C43 1 2.556 6 0 -6.18778117230256 712743 COC1=CC=CC(=C1)OC2=NN=NN2C3=CC=CC=C3 1 2.802 4 2 -5.76506920053678 712742 C1=CC=C(C=C1)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4 1 3.756 5 1 0.588292302376989 712714 CCNC1=C2C3=CC=CC=C3C(=O)C4=C2C(=CC=C4)N(C1=O)C 1 2.095 2 2 -2.32131356403664 712700 C1CC2=C(C3=C1N(N=C3)C4=CC=CC=C4)N=C(S2)N 1 2.594 4 0 7.84768612802769 712692 CC1=NC=C(N1CC(=O)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-] 1 0.694 4 5 0 -13.8364952326469 712681 C1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC(=O)NC4=CC=CC=C43 1 3.178 3 2 -11.5761444330009 712669 CC1(CC(=C(C(=O)C1)C(=O)CCC(=O)NC)NC)C 1 -3.7e-002 2 3 0 -17.1263831982644 712667 CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.031 0 5 -12.4255145646402 712665 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCC3=CC=CC=N3 1 2.3 3 1 -11.7067963763645 712609 COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NCC3=CN=CC=C3 1 1.484 2 4 0 -14.8407826236536 712610 CC1=CC(=CC=C1)NC(=O)CSC2=NC=CN2C 1 2.129 3 1 -6.55252653113964 712612 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2F 1 2.286 2 4 -6.67118361382652 712613 COC1=CC=C(C=C1)NC(=O)CON=C2CCCC3=NON=C32 1 1.317 4 4 0 -7.05605100000536 712620 CCOC(=O)C1=CC2=C(C(=CC=C2)CC=C)OC1=O 1 3.072 0 4 -11.1715033717181 712660 C1CCC2=C(C1)C(=C(SC2=S)N)C#N 1 2.833 2 0 -1.94723493693131 712658 CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.412 1 5 -12.8827955266214 712653 CC1=CC(=C(C=C1)S(=O)(=O)N2C=NC3=CC=CC=C32)C 1 3.675 2 2 -4.23761514895343 712647 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NCCC3=CC=CC=C3 1 2.956 1 4 -13.7033489423771 712632 CC1=C(C(=O)NC(=O)N1COCC2=CC=CC=C2)Br 1 1.595 2 3 0 -6.51998749940705 712607 CC1=C(C(=NN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)Br 1 2.999 3 3 -4.59164081185353 712606 CC1=C(C(=NN1C(=O)C2=CC(=C(C=C2)OC)OC)C)Br 1 3.072 2 3 -6.1323459850253 712605 CN1C=CN=C1SCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.484 3 2 -5.48052920266094 712603 CC1=C(C(=NN1C(=O)C2=CC=CS2)C)C(=O)C 1 2.049 2 2 -7.85967002205203 712599 CN(C)C(=O)OC1=C2C(=C(C=C1)Cl)C=CC=N2 1 2.65 2 2 -1.87131491260881 712598 C1=CC=C2C(=C1)C(C3=CC=CC=C32)NC(=O)C4=CC=CO4 1 3.317 1 2 -3.61376025582029 712597 CCN(CC)C(=O)OC1=C2C(=C(C=C1)Cl)C=CC=N2 1 3.347 2 2 -3.74032955632786 712596 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C 1 2.195 2 4 -13.1852972263778 712595 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C 1 2.195 2 4 -16.5479455360546 712594 CCN(CC)C(=O)OC1=C(C=C(C2=C1N=CC=C2)Cl)Cl 1 4.012 2 2 -2.62390519453169 712593 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C)C)C 1 2.614 2 4 -13.2940802303247 712592 C1COCCN1C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3 1 2.337 2 3 -4.52494244098516 712567 CC1=CC2=C(C=C1)NC(=C2CCNC(=O)NC3CCCCC3)C 1 4.057 3 1 -7.23930640973137 712563 C1=CN=CC2=C1C(=O)N(C2=O)CCC(=O)O 1 -0.559 2 4 0 -11.8829678435756 712559 CC(C)CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(F)(F)F 1 3.437 2 1 -1.0263530272724 712556 COC1=CC=CC=C1CN2CCN(CC2)C(=O)COC3=CC=CC=C3 1 2.603 2 3 -5.70565977057495 712541 CCN(CC)C(=O)CSC1=CC=CC=C1N 1 1.588 2 1 0 -13.4174677654373 712540 COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3CC3 1 1.202 2 3 0 -9.9635629722504 712534 COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F 1 2.314 2 3 -3.0361339910872 712520 C1CC2=CC=CC=C2N(C1)C(=O)CN3C=C(C4=CC=CC=C43)C=O 1 3.461 2 2 -9.79601715642255 712514 C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)C4=CC=CC=C4 1 3.078 3 1 -1.54327850011214 712506 C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)COC4=CC=CC=C4 1 2.913 3 2 -2.66314735625718 712500 COC1=CC=CC(=C1OC)CN2CCN(CC2)C(=O)C3=CC=CS3 1 2.705 2 3 -8.15912437749259 712478 COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CS3 1 2.682 2 2 -7.92832431709931 732215 C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NCC3=CC=CO3 1 3.506 1 3 -10.1306327744029 732217 C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.545 3 3 -14.0098500162175 732222 CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2 1 2.863 3 1 -10.3896331095099 732237 CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C(=C2)C)N 1 2.85 4 2 -3.29705415087163 732211 COC1=CC2=C(C=C1)C(=CC3=NN=NN23)C4=CC=CC=C4 1 2.46 4 1 -2.11101406176162 732207 CC1=CC(=NN1C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C)C 1 2.826 6 0 -4.28796552142659 732183 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CN4 1 1.898 3 3 0 -9.28870039579195 732182 CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)N=CN3)C 1 3.102 3 1 -6.72089482936014 732180 CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CN3)C 1 3.102 3 1 -6.58004564517019 732170 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C(C)(C)C 1 4.028 3 3 -15.3124691961998 732166 CC(C)(C)C(=O)NC(=S)NC1=CC=CC=C1OC 1 3.631 2 2 -15.1240407367267 732158 C1=CC=C(C=C1)/C=C/C(=O)NC2=NC=NN2 1 1.384 4 1 0 -6.71886266063159 732151 C1=CC=C(C=C1)/C=C/C(=O)NNC(=O)C2=CN=CC=C2 1 1.188 3 2 0 -7.57672085949421 732149 C1=CC=C(C=C1)/C=C/C(=O)NCCC2=NC3=CC=CC=C3N2 1 3.046 3 1 -6.86392757604599 732138 CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)/C=C/C2=CC=CC=C2 1 2.715 1 4 -10.3096386496089 732131 C1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=CO2 1 2.271 1 2 -7.76216999161537 732130 CN(C1CCCCC1)C(=O)/C=C/C2=CC=CC=C2 1 3.57 1 1 -4.09308558825187 732122 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3 1 3.3 2 2 3.85597866643147 732118 C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C3)C4=CC=CC=C42 1 4.33 3 0 4.35798501580321 732116 CC(C)(C)NC1=NC(=NC(C)(C)C)C2=CC=CC=C21 1 3.04 3 0 -3.84667163110968 732106 CCOC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 2.548 2 6 0 -11.627511319743 732103 CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CN=CC=C2 1 1.668 2 3 0 -10.6521008728323 732101 CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CO2 1 2.214 1 4 -8.47465974978895 732088 C1CN(CCN1CCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 3.014 3 1 -1.39877635237204 732064 COC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)N 1 1.687 4 2 0 -2.82366452737197 732060 C1=CC(=C(C(=C1)Cl)CSC2=NNC(=N2)N)Cl 1 3.36 4 0 -3.60581759215031 732053 CC1=CC=C(C=C1)CSC2=NNC(=N2)N 1 2.517 4 0 -3.11392035976369 732052 C1=CC=C(C(=C1)CSC2=NNC(=N2)N)Cl 1 2.695 4 0 -4.76190003433944 732049 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC3=C(C=C2)C(=O)CO3 1 2.622 0 7 0 -10.4386071396786 732047 CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)CO3 1 4.071 0 4 -3.82501848715562 732046 C1C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=CC=C3 1 2.671 0 4 -7.19880020377628 731991 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C(=O)C 1 2.885 3 3 -5.94184471537162 731982 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NCC3=CN=CC=C3 1 2.002 4 2 -6.5312036385594 731981 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3 1 3.152 3 2 -4.89414791341731 731978 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)OC 1 3.129 3 3 -2.56908544508404 731974 CCC1=CC=CC=C1NC2=NC(=NC3=CC=CC=C32)C(=O)OCC 1 4.088 3 2 -2.78583517226341 731973 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C 1 3.632 3 2 -2.22716218457495 731972 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3C 1 3.632 3 2 -3.05152174626985 731971 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3 1 3.146 3 2 -2.5522293199607 731957 C1CCC(CC1)NC(=O)COC(=O)C2=CC=CS2 1 2.556 1 3 -13.2555183621235 731945 CCOC(=O)COC1=CC=C(C=C1)C(=O)NC2CCCCC2 1 2.935 1 4 -13.8702602187595 731925 CC1=CC=CC=C1CSC2=NN=CN2N 1 1.855 4 0 0 -10.7501416294091 731924 CCC1=NC(=NN1)SCC2=CC=CC=C2C 1 3.65 3 0 -7.18886279192215 731923 CC1=CC=CC=C1CSC2=NNC(=N2)C 1 2.983 3 0 -7.12408589463981 731919 CC1=CC=CC=C1CSC2=NC(=O)C(=NN2)C 1 2.621 3 1 -13.8700524683625 731907 C1CN\2CCC1C(=O)/C2=C\C3=CC(=C(C=C3)Cl)Cl 1 3.434 1 1 0.84986218879095 731889 C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=C(C=CC=C3Cl)Cl 1 4.943 2 1 -9.6843426749235 731844 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C=C(C)C 1 2.331 3 4 0 -8.50036512153234 731845 CC(=CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2)C 1 2.372 3 3 -5.85620933229121 731848 CC(=CC(=O)NC1=CC=CC(=C1)C(=O)C)C 1 2.236 1 2 -4.66721806450305 731871 CCOC1=CC=CC=C1OCC(=O)NC2CCCCC2 1 3.064 1 3 -10.9014922321322 731858 CC(=CC(=O)NC1=CC(=C(C=C1)OC)Cl)C 1 3.144 1 2 -3.30099828145631 731856 CC1=CC(=C(C(=C1)Cl)NC(=O)C=C(C)C)C 1 4.133 1 1 1.01380998671292 731839 CC(=CC(=O)N1CCCC2=CC=CC=C21)C 1 3.233 1 1 -5.87734197815096 731833 CC(=CC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C 1 3.016 3 3 -1.9490824160427 731826 CC(C)C1=NN=C(S1)NC(=O)C=C(C)C 1 2.36 3 1 -8.27486736794788 731815 CC(=CC(=O)NCCC1=CC=CC=C1)C 1 2.824 1 1 -6.06921778295522 731812 CC(=CC(=O)NC1=CC=CC=C1C(=O)N)C 1 1.498 2 2 0 -5.27048455591147 731809 CCOC(=O)C1=CC=CC=C1NC(=O)C=C(C)C 1 2.7 1 3 -9.47676672928474 731807 CC(=CC(=O)NC1=CC2=C(C=C1)OCO2)C 1 2.264 1 3 -5.42275298930191 731806 CC(=CC(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)C 1 4.063 1 2 -3.30335119323081 731799 CCOC1=CC=CC=C1OCC(=O)N2CCCC3=CC=CC=C32 1 3.519 1 3 -11.5295134190352 731793 C1COCCN1CCC(=O)C2=CC3=C(C=C2)OCCO3 1 1.297 1 4 0 -4.16385555383046 731741 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=NC=C3 1 1.903 3 1 0 3.37429728491259 731730 CCOC(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCC 1 2.103 0 7 0 -16.1894245422485 731728 CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=NC=C2)C#N)C 1 2.111 3 3 -18.7005104223964 731724 CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)C)C#N)C 1 2.727 2 3 -21.2177794254116 731722 C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)C3=CC=NC=C3 1 1.984 4 3 0 -4.91942713098153 731720 CCC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] 1 2.137 3 3 -3.64760216895878 731715 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)OC3=CC=CC=C3 1 3.321 2 4 -5.69434543516375 731713 CC(C)C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C 1 2.231 2 3 -9.91916397515898 731710 CCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C 1 1.768 2 3 0 -7.77644626550176 731707 COC1=C(C=C(C=C1)NC(=O)OC2=CC=CC=C2)Cl 1 3.818 1 3 -1.87323399718975 731693 CCOC(=O)NC1=C(C=C(C(=C1)C)Cl)OC 1 3.076 1 3 -6.79444530114111 731680 CC1=CC(=C(C(=C1)Cl)NC(=O)NC2=CC=CC=C2)C 1 4.159 2 1 0.75328489741189 731666 CC1=CC(=C(C(=C1)Cl)NC(=O)C(C)(C)C)C 1 4.133 1 1 -6.92974945803527 731664 CCC(=O)NC1=C(C=C(C=C1Cl)C)C 1 3.254 1 1 -1.14631528956991 731662 CC1=CC(=CC=C1)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 3.456 3 4 0 -3.36510778193396 731641 CC1=CC(=C(C=C1)OC)NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C 1 4.58 2 2 -9.11257585131107 731639 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=CC=CC=C3O2 1 3.679 1 3 -1.26810014630392 731635 CCOC(=O)NC1=C(C=CC(=C1)C)OC 1 2.412 1 3 -6.39809799672463 731623 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2 1 1.875 2 2 0 -4.69209551709135 712474 CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl 1 1.784 4 1 0 -16.2007569893982 712471 C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2)N=CS3)F 1 2.904 2 1 -6.80348108248992 712470 C1CSC(=N1)SCC(=O)NC2=NC3=CC=CC=C3S2 1 3.121 3 1 -11.0813321803682 712469 C1=CC(=CC(=C1)F)NC(=O)C2=CC3=C(C=C2)N=CS3 1 2.904 2 1 -5.86419034654636 712467 C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C2)N=CS3)F 1 2.904 2 1 -8.6798994601914 712465 C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2)N=CS3)Cl 1 3.362 2 1 -5.69335941736835 712463 C1=CC(=CC(=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=CS3 1 3.362 2 1 -4.90632675547136 712450 C1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C#N)N 1 4.053 3 0 6.3467431896406 712446 C1=CC=C(C=C1)C2=CSC(=N2)CC(=O)N 1 1.676 2 1 0 1.95064098529502 712442 CCOC(CN1C=C(C(=O)NC1=O)C)OCC 1 0.276 2 4 0 -8.98986325218296 712435 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3 1 2.968 4 3 0 -3.1546980787048 712427 CC1=CC(=C(C=C1)OC)NC(=O)C2=NN(C=C2Br)C 1 2.911 3 2 -6.31504623507799 712411 CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)N 1 2.729 1 2 2.2807236893371 712408 C1=CC2=NC(=C(N2C=C1)C=O)C3=CC=C(C=C3)F 1 2.91 2 1 1.33188089953152 712407 COC1=CC=CC(=C1)C2=CSC(=C2C(=O)OC)N 1 2.227 1 3 5.06301264555255 712400 COC1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)C=O 1 2.688 2 2 0.207037664922125 712392 COC1=CC2=CC=CC=C2C=C1C3=NN=C(O3)COC4=CC=CC=C4 1 3.781 2 3 -6.50065317104745 712378 CCN1C2=C(N=C1N3CCC(CC3)C)N(C(=O)N(C2=O)C)C 1 1.501 5 2 0 -12.9229514416615 712377 C1=CC=C2C(=C1)NC(=S)O2 1 2.711 1 1 -0.698576604791503 712372 COC1=CC(=C(C=C1)OC)C=NNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.232 3 4 0 -4.78343661083102 712366 CCN(CC)C1=CC=C(O1)C=C2C(=O)N(C(=S)N(C2=O)C)C 1 2.554 3 3 -3.92278291424087 712350 CC1=C(C2=C(N1CCO)C=CC(=C2)O)C(=O)C 1 1.433 1 3 0 -0.376234130109061 712339 CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC(=N2)C 1 3.078 3 1 -10.2020593774258 712318 C1=CC(=C(C=C1[C@@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O 1 1.479 0 7 0 5.13237770553911 712311 CCOC(=O)C1=C(N(N=C1N)C(=O)C(C)C)C2=CC=C(C=C2)OC 1 3.183 3 4 0 -4.57413318863955 712295 CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC=C(C=C3)F)N)C 1 3.044 3 1 -3.97574715737187 712291 CN(C)C1=NC(=NC(=N1)N(C2=CC=CC=C2)C3=CC=CC=C3)N 1 2.999 6 0 -1.53745790483654 712290 CCN(CC)C1=NC(=NC(=N1)N(C2=CC=CC=C2)C3=CC=CC=C3)N 1 3.697 6 0 -1.65832158250908 712289 C1C2CC3CC1CC(C2)C34NC(=O)CS4 1 1.821 1 1 0 -4.06398258237119 712288 C1CCN(CC1)C2=NC(=NC(=N2)N(C3=CC=CC=C3)C4=CC=CC=C4)N 1 3.916 6 0 1.1078672403945 712287 CCOC(=O)CNC1=NC(=NC(=N1)N2CCOCC2)C#N 1 -0.41 6 3 0 -9.1148209060704 712286 CCOC1=NC(=NC(=N1)N2C=C(N=N2)C3=CC=CC=C3)OCC 1 3.879 6 2 0 0.852200225964766 712285 CCN(CC)S(=O)(=O)C1=CC=CC2=NON=C21 1 1.214 3 3 0 -7.16210866252403 712284 C1CCCN(CC1)S(=O)(=O)C2=CC=CC3=NON=C32 1 1.89 3 3 0 -10.8172235340174 712283 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CCOC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl 1 4.563 2 1 1.90591759007356 711946 CCC1=CC2=C(C=C1)N=C3C(=C2N)C(=CC(=N3)C)C 1 3.362 3 0 4.27313309913782 711934 CC1=CC=C(C=C1)CNC(=O)/C=C/C(=O)O 1 1.687 1 3 0 -5.85636100475747 711933 CC1(CC2=CC=CC=C2C(=N1)CSC3=CC=CC=C3C(=O)O)C 1 4.175 1 2 -9.03816736499412 731610 C1=CC=NC(=C1)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.58 3 3 0 -11.2294488164349 731601 CN1C2=CC=CC=C2C(=O)N3C1=NCC3 1 1.055 3 1 0 -4.58276630281381 731496 CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=CC=C2 1 4.499 1 1 -5.40089177438741 731480 CC1=C(C=CC(=C1)Cl)NC(=O)CCC(=O)O 1 1.946 1 3 0 -9.35296470154193 731474 C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC4=CC=C(C=C4)F 1 5.365 2 0 -11.0987078786688 731455 CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC=N3 1 2.541 2 1 3.95994487174963e-002 731451 CCC1=NNC(=S)N1N=C2CCC(CC2)C 1 2.726 4 0 -9.05601795029007 731441 CCC1=NNC(=S)N1N=CC2=CC=CC=N2 1 2.027 5 0 -4.64787372858908 731423 CC1=CC=C(O1)C=NN2C(=NNC2=S)C 1 1.623 4 1 0 -5.74662292750361 731420 CC1=NNC(=S)N1N=CC2=CC(=CC=C2)OCC3=CC=CC=C3 1 3.65 4 1 -5.471169168598 731412 CCC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CCOCC3 1 2.158 2 3 -5.19672591392082 731399 CC1=CC(=C(C=C1)OC)NC2=C(C(=O)N(C2=O)C3CCCCC3)Cl 1 3.598 2 3 -6.00956621877847 731393 CC1=CC(=C(C=C1)O)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl 1 3.097 2 3 4.25944420769036 731369 CC1=C(SC=C1)C=NN2C(=O)C(=NNC2=S)C 1 2.398 4 1 -7.40253106846178 731367 C1=CC=C2C(=C1)N=C(O2)SCC(=O)NCC3=CC=CO3 1 2.264 2 3 -12.9926864998216 731344 C1NC(=S)NCN1CCO 1 4.e-002 3 1 0 -3.38398506303786 731336 C=CCN1C=NC2=C(C1=O)C(=CS2)C3=CC=CC=C3 1 2.878 2 1 -4.90871138723373 731332 C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)O 1 1.742 2 3 0 -7.08303569831327 731330 CCN1C=NC2=C(C1=O)C(=CS2)C3=CC=CC=C3 1 2.61 2 1 -1.09958462404083 731321 CSC1=NCCN1S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.676 2 2 -9.66537521898942 731318 CC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SC 1 2.497 2 2 -11.4873739095762 731309 CCOC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC=CC=C3 1 2.317 2 3 -6.42198743342067 731274 CC(=O)CN1C=NC2=C(C1=O)C=C(S2)C3=CC=CC=C3 1 2.134 2 2 -7.49111777405699 731240 CCOC(=O)C1=C(C2=C(S1)N=CNC2=O)C 1 1.518 2 3 0 -13.4219687944684 731221 CC(C)(C)NC(=O)/C=C/C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC 1 3.987 1 3 -13.0186719120741 731219 CC(C)NC(=O)/C=C/C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC 1 3.782 1 3 -14.339819632173 731182 CC1=C(C(=C(C=C1)C)OCC(=O)NC2=CC=CC(=C2)C(=O)O)C 1 3.538 1 4 -6.61837017017888 731180 CC1=C(C(=C(C=C1)C)OCC(=O)NC2=CC3=C(C=C2)OCO3)C 1 3.676 1 4 -7.66921731403927 731115 CC(C)OC1=CC=C(C=C1)NC(=O)CCC(=O)O 1 1.505 1 4 0 -10.9379371160371 731116 CC(C)OC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O 1 3.148 1 3 -5.76967520937322 731146 C1=CC(=CC=C1C2=NOC(=N2)CCCC(=O)O)Cl 1 2.446 2 3 -1.78823445911122 731131 CCOC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)OC 1 4.045 0 4 -5.0194602812541 731125 CCOC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC=C2 1 4.062 0 3 -4.82376695639787 731120 CC1=C(C(=C(C=C1)C)OCC(=O)NCC(C)C)C 1 3.523 1 2 -9.3952232179134 731089 CC(C)OC1=CC=C(C=C1)NC(=O)C2=CC=NC=C2 1 2.174 2 2 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C1CC2=CC=CC=C2N(C1)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 2.483 2 3 -12.9572073748093 711745 C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=C(S3)N 1 1.564 4 1 0 -17.2434324625323 711744 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCC2=CC=CO2 1 2.09 1 5 -6.65853891618213 711740 CC1=NNC(=NC1=O)SCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.029 4 3 0 -13.1032483024523 711734 C1=CC2=NC(=CN2C=C1)C3=CC=C(S3)Br 1 3.038 2 0 0.207040534150008 711723 CC1=CC=CN2C1=NC(=C(C2=O)C=O)N3CCSCC3 1 1 3 2 0 -11.1211991117173 711720 C1CSCCN1C2=C(C(=O)N3C=CC=CC3=N2)C=O 1 0.553 3 2 0 -10.7648927373215 711717 COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)O 1 1.473 0 5 0 -6.43896814231836 711707 CC1=CC(=NN1CC(=O)NC2=CC3=C(C=C2)OCO3)C(F)(F)F 1 2.4 3 3 -9.93230502448605 711685 C1COCCN1C2=CC(=NC=N2)NC(=O)C3=CC=CC=C3 1 1.764 4 2 0 -4.83644995662056 711673 C1CN(CCN1CCO)C2=C(C(=O)N3C=CC=CC3=N2)C=O 1 -0.461 4 3 0 -6.40736407879201 711643 CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)COC3=CC=CC=C3 1 3.335 3 2 -10.0188971110378 711638 C1=CC=C2C(=C1)C=C(N2)C3=CC=CC=C3C(=O)O 1 3.563 1 2 3.6565139622984 711635 CC1=CC=CC=C1C(=O)NC2=NN=C(S2)C3=CC=CO3 1 2.895 3 2 -9.30211139006727 711634 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CN=CC=C3 1 1.042 3 3 0 -19.1557380100539 711560 C1CN\2CCC1C(=O)/C2=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 1.999 2 3 0 -1.85973023707799 711559 CCOC1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3CC4=CC=CC=C4 1 3.468 5 1 0.765677558936133 711558 C1CN\2CCC1C(=O)/C2=C\C3=CC=C(C=C3)[N+](=O)[O-] 1 1.999 2 3 0 -1.85973023707799 711539 CC1=CC(=NN1)C(=O)NNC(=O)C2=CC=C(C=C2)OC 1 0.873 4 3 0 -7.02151283835165 711530 CN1C2=C(C=N1)C(=NC=N2)NC3=CC=CC4=CC=CC=C43 1 2.46 5 0 3.35457015265712 711529 CC1=C(N(C2=CC=CC=C12)C)C(=O)CC3=CC=CC=C3 1 4.545 1 1 -0.69804502593609 711507 CC(C)(C)NC1=NC=NC2=C1C=NN2C3=CC=CC=C3 1 2.483 5 0 -0.630961612717013 711484 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.713 2 5 0 -15.0448542111517 711478 C1CCC(CC1)CCC(=O)NC2=NC=CS2 1 2.775 2 1 -10.449958344669 711468 CC1=NC(=C(C(=C1)C2=CC(=CC=C2)Br)C#N)N 1 2.9 3 0 0.506360593677168 711453 C1C2(CO[C@@H]3N2[C@H](O1)C4=CC=CC=C34)CO 1 0.777 1 3 0 -1.12697169773486 711452 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CO4 1 4.018 2 2 3.07840329892749 711446 CC(C)CC1=NC(=C(C(=C1)C2=CC=CO2)C#N)N 1 2.921 3 1 -2.69560443672897 711442 CC(C)CC1=NC(=C(C(=C1)C2=CC=CO2)C#N)NC(=O)C 1 2.788 3 2 -6.09749163348491 711428 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.713 2 5 0 -12.3227453099945 711415 COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCC2=CN=CC=C2 1 1.255 2 5 0 -6.69089277997064 711403 CNC(=O)C1=CC2=C(N1CCN(C)C)C=CC(=C2)OC 1 1.951 3 2 0 -4.94537153128557 711394 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)/C=C/C(=O)O 1 0.904 1 7 0 -12.0180922535404 711393 C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)/C=C/C3=CC=CC=C3 1 2.109 2 3 7.11618232537445 711385 CCOC(=O)C1=C(SC2=C1C=CC(=C2O)Br)N 1 2.78 1 3 2.12033393977825 711382 C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=CC(=C(C=C2)C(=O)O)O 1 1.647 1 5 0 7.65031658283283 711376 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 4.31 2 1 -6.42514093071621 711374 CCC1=NC2=CC=CC=C2C(=O)N1C3=CC4=CC=CC=C4C=C3 1 4.187 2 1 -3.04908703724004 711369 CCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3[N+](=O)[O-] 1 3.173 3 3 -6.34398315354984 711353 C1=CC2=C(C(=C1)S(=O)(=O)NCC3=CC=CO3)N=CC=C2 1 1.692 2 3 0 -9.83472673773494 711351 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.293 3 4 0 -5.83996061200806 711286 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.91 2 3 -10.5944851285254 711280 CCN(C1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.728 2 3 -9.00849773142089 731043 CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)CN(CC=C)CC=C)C 1 3.198 2 3 -18.3987680963408 731042 CC(=NNC(=S)NC)C1=CC(=CC=C1)[N+](=O)[O-] 1 2.106 4 2 -11.3636467912724 731038 CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)CN3CCN(CC3)C)C 1 1.922 3 3 0 -9.72977902059183 731030 CCOC(=O)C1=CC2=C(C=C1)N=C(C=C2NC3=CC=CC(=C3)C(=O)O)C 1 3.682 2 4 7.45423461847946e-002 731016 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)O 1 4.704 3 1 14.7966096837872 730985 CCOC(=O)C1=CN=C2C(=C1N)C=CC3=CC=CC=C32 1 2.382 2 2 -1.08295981929667 730979 C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)OC(=O)C4=CN=CC=C4 1 3.121 4 2 -1.79037192355027 730978 CC(C)(C)C(=O)OC1=CC=CC(=C1)NC2=NC=NC3=CC=CC=C32 1 4.154 3 2 1.50316736436096 730977 CC(=O)OC1=CC=CC(=C1)NC2=NC=NC3=CC=CC=C32 1 2.607 3 2 3.78665714973358 730969 CCN1CCN(CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)C(=O)OC)C 1 1.922 3 3 0 -10.6539520946643 730935 CC1=NC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 3.07 3 2 -8.6314985634557 730934 CCOC1=CC2=C(C=C1)NC(=CC2=O)C 1 2.059 1 2 -6.78748772537504 730933 CC1=CC(=NC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 3.274 3 2 -8.100210684523 730929 CC1=C(N=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4 1 4.15 3 1 -4.50499774364405 730926 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=NC=C3 1 2.248 3 2 -9.64841645656347 730925 C1=CC=C(C=C1)C2=CC(=C(O2)NC(=O)C3=CC=CO3)C#N 1 2.926 2 3 -0.941665645761558 730923 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CN=CC=C3 1 2.248 3 2 -9.92526447789379 730919 COC1=CC=CC(=C1)C2=CC3=C(N=CN=C3O2)N4C=CC=C4 1 3.762 3 2 5.18769931709993 730912 CC(C)C(=O)NC1=C(C=C(O1)C2=CC=CC=C2)C#N 1 2.996 2 2 -4.79726359375012 730903 CC1=CC=CC=C1NC2=NS(=O)(=O)C3=CC=CC=C32 1 2.682 2 2 -3.33311860162813 730897 C1=CC=C(C=C1)C2=CC(=C(O2)NC(=O)C3=CC=CC=C3)C#N 1 3.531 2 2 -2.83880284698117 730870 CCOC(=O)CC1=CN=C(S1)NC(=O)C2=CC=CC=C2 1 2.142 2 3 -10.9185351115974 730850 CCN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.395 4 0 9.90097410613662 730796 CC1CCN(CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)OC)C 1 2.913 2 2 -7.02902305822913 730811 CC1=CC2=C(C=C1)NC(=C(C2=O)CN(C)C)C3=CC=CC=C3 1 3.481 2 1 -0.75544368403568 730812 CCN(CC)CC1=C(NC2=C(C1=O)C=C(C=C2)C)C3=CC=CC=C3 1 4.179 2 1 -2.17167840154807 730813 CC1=CC2=C(C=C1)NC(=C(C2=O)CN3CCCC3)C4=CC=CC=C4 1 3.942 2 1 -0.41592486062302 730824 C1COCCN1C(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/C#N 1 1.006 2 4 0 -14.2644912652507 730823 C1COCCN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C#N 1 1.006 2 4 0 -14.2644912652507 730822 CC1=CC2=C(C=C1)NC(=C(C2=O)CN3CCN(CC3)C)C4=CC=CC=C4 1 3.438 3 1 1.22398171557372 730820 CC1=CC2=C(C=C1)NC(=C(C2=O)CN3CCOCC3)C4=CC=CC=C4 1 3.169 2 2 -3.16899958570318 730783 COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.384 1 4 -8.85947631838357 730782 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3 1 2.4 1 3 -9.24215767674878 730775 CC1=C(C(=O)C2=C(N1)C=CC(=C2)Cl)CN3CCCC3 1 2.886 2 1 -1.06153161687448 730762 C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CC(=O)O 1 1.607 2 3 0 -19.807009878877 730761 CN(C)C1=CC=C(C=C1)C=NNC(=O)CC#N 1 1.24 4 1 0 -13.4895358550453 730729 CC1=CC=C(C=C1)OCC(=O)NCCC2=CCCCC2 1 3.687 1 2 -11.2058998247574 730726 CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CO4)N 1 2.768 4 3 0 -11.445207442852 730719 CC(C)NC(=S)NC1=CC=CC(=C1)C(=O)OC 1 3.094 2 2 -15.4277018086467 730708 CCCC(=O)NC1=CC=C(C=C1)C(=O)N 1 1.075 2 2 0 -13.1862964186414 730704 C1=CC=C2C(=C1)C=C(O2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O 1 2.961 1 5 -3.13028391350694 730701 COC(=O)NNC(=S)NC1=CC=CC=C1 1 2.253 3 2 -7.24378181000384 730700 COC1=CC=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.349 1 5 -7.95820688264354 730698 C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC=CS3 1 2.319 1 4 -9.76726430950605 730696 C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC=CO3 1 1.761 1 5 0 -6.63373131019161 730688 C1CCCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)N3CCCCCC3 1 3.404 2 2 -5.66331495900883 730672 C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)N 1 1.892 3 3 0 -5.98884331261941 730662 C1=CC=C(C=C1)NC(=S)NNC(=S)N 1 2.39 4 0 -4.12750865390374 730654 CC1=CC=CC=C1C(=O)NNC(=O)OC 1 1.336 2 3 0 -10.978093444662 730651 CCCC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCC 1 3.877 2 3 -7.84396778088357 730648 CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC(=C(C=C2)C)C 1 4.056 1 3 -11.8219969384531 730643 C1CN(C2=CC=CC=C21)C(=O)COC3=CC=CC=C3 1 2.73 1 2 -10.022671688772 730639 CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CS2 1 2.068 3 3 -16.1180475473249 730634 CCC(=O)NC1=CC=CC(=C1)C(=O)OC 1 1.472 1 3 0 -7.59741583994344 730596 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2 1 2.382 2 3 -14.6855122979093 730631 C1=CC=C(C=C1)CCC(=O)NNC(=O)NC2=CC=CC=C2 1 2.27 3 2 -10.3022087342252 730618 COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2 1 2.47 1 3 -8.12735748696165 730614 COC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)Br 1 2.561 1 3 -4.86496318581512 730610 COC1=CC=C(C=C1)CC(=O)NNC(=O)CCC2=CC=CC=C2 1 2.38 2 3 -9.99678689107773 730603 C1CCC(CC1)NC(=O)CCC(=O)O 1 1.077 1 3 0 -12.715547072982 730600 C1=CC=C(C=C1)CCC(=O)NNC(=O)C2=CC=CC=C2C(=O)O 1 1.992 2 4 0 -14.0811848828141 730524 CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CO3 1 3.286 2 3 2.49423463549536e-003 730538 CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC 1 4.645 0 3 -1.76574743045404 730562 CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)F 1 3.692 3 1 -6.65924905567022 730557 COC1=CC(=C(C=C1)OC)NC(=S)NC2=CC=CC=C2 1 4.334 2 2 -6.58203419233495 730544 CC1=CC(=C(C=C1)NC(=S)NC2=CC=C(C=C2)F)C 1 5.544 2 0 -5.81453369996129 711270 CN(C)C(=O)N1CCN(CC1)C(=O)C2=CC=CO2 1 5.7e-002 3 3 0 -9.47315164773822 711266 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)N3CCOCC3 1 -0.255 3 4 0 -7.10210243703441 711304 CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C)[N+](=O)[O-] 1 2.115 3 4 0 -10.9364612477471 711230 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 2.214 1 4 -7.56119390077939 711236 CCOC1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 2.342 1 3 -4.31797635307448 711239 CC1=C(SC2=C1C(=NC=N2)SCC(=O)N3CCCC3)C 1 2.551 3 1 -12.8875217739422 711247 C1=CC=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.366 1 4 -8.5803441866562 711253 C1=CC=C2C(=C1)NC3=C(C(=CC(=O)N23)C(F)(F)F)C#N 1 2.437 3 1 -3.98512939128127 711228 CC1=C(C2=C(S1)N=CNC2=O)C3=CC=C(C=C3)F 1 2.406 2 1 -2.57741883473449 711223 CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N4CCOCC4 1 3.266 3 1 -4.90799466755557 711220 CC1=C(C2=C(S1)N=CNC2=O)C3=CC=C(C=C3)Cl 1 2.865 2 1 -1.46729716961292 711186 CC1=C(C2=C(S1)N=CNC2=S)C3=CC=CC=C3 1 3.099 2 0 -0.958744710824752 711175 CCOC(=O)C1=C(SC=C1C2=CC=C(S2)C)N 1 2.691 1 2 0.828079447062796 711166 C1=COC(=C1)C2=CSC3=C2C(=O)N(C=N3)N 1 0.958 3 2 0 -1.55273948611556 711153 CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)C)N4C=CC=C4 1 2.805 3 2 -0.992847829450888 711152 CC1=CC=C(N1N2C=NC3=C(C2=O)C4=C(S3)CCCCC4)C 1 3.798 3 1 -14.222335222972 711151 C1=CC=C2C(=C1)N=CN2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.597 3 4 0 -10.1906113222677 711119 C1CN(CCN1CC(=O)NC2=C(N=CC=C2)Cl)C3=CC=C(C=C3)F 1 2.514 4 1 -1.09324511770556 711116 CC1=CC=C(N1N2C(=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4)C)C 1 3.847 3 1 -5.32786943965124 711115 C1COCCN1C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4 1 3.311 3 1 1.08147100694127 711111 COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2 1 2.588 1 3 -14.5768235975084 711110 C1=CC=C2C(=C1)C(=NN3C2=NC4=CC=CC=C4C3=O)NCC5=CC=CO5 1 2.728 4 2 -3.47521447386945 711108 COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3S2 1 2.926 2 3 0.617610126794991 711102 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CS2 1 2.799 1 2 -6.73356169975306 711101 CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)C 1 3.495 1 2 -1.48849306635083 711091 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.781 2 2 -10.4856460401132 711090 CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=NC=CC=N4)C 1 2.196 6 0 1.83312579978306 711088 C1CCC(CC1)NC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 3.748 3 1 -2.67117641620602 711086 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)NC3=CC(=CC=C3)Cl 1 4.131 3 1 4.31367888132361 711084 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)F 1 3.077 1 2 -6.3487690612592 711045 COC1=C(C=C(C=C1)Cl)NC(=O)/C=C/C(=O)O 1 1.841 1 4 0 -3.99339299779472 711033 COC1=C(C=C(C(=C1)C(=O)N2C=NC3=CC=CC=C32)[N+](=O)[O-])OC 1 2.861 3 5 0 -9.66542808535057 711026 CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)O 1 2.369 2 2 -3.5359437553729 711025 CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)OC(=O)C)C(=O)C 1 3.542 1 4 -4.16633355675723 711024 C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.487 2 2 -12.5622706999647 711023 CCOC(=O)C1=C(SC2=C1C=CC=C2OC)NC(=O)C 1 2.124 1 4 -6.68551721480193 711017 CCSC1=NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)N1 1 4.576 2 1 -14.0421248774106 711014 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=CC=C3 1 3.841 2 2 -13.3664838275136 710994 C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 3.24 2 2 -7.52702858666197 710993 C1=CC=C(C=C1)OC2=C3C=CSC3=NC=N2 1 3.211 2 1 0.568507583398265 710987 C1=CC=C(C=C1)CSC2=NC=NC3=C2C=CS3 1 3.776 2 0 -7.25760889991916 710977 CC1=CC=C(C=C1)OC2=C3C=CSC3=NC=N2 1 3.697 2 1 1.05674159536707 710976 CC(C)OC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl 1 4.921 2 1 5.01361015279026 710974 CC1=CC=CC=C1OC2=C3C=CSC3=NC=N2 1 3.697 2 1 -0.543567348510003 710973 CCOC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl 1 4.544 2 1 8.585022573425 710968 COC1=NC(=NC2=CC=CC=C21)C3=CC=NC=C3 1 2.38 3 1 6.93002037593306 710962 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NC4=CC(=CC=C4)F 1 3.515 4 0 11.338408017923 710951 C1COCCN1C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 1.626 4 1 0 6.92487447874631 710950 C1CN(CCN1C2=CC=CC=C2)C3=NN=NN3C4=CC=CC=C4 1 2.43 6 0 -3.36481804549322 710947 CC1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.107 4 0 7.10556240745015 710933 CCON1C2=CC=CC=C2N(C(=O)C1=O)OC 1 0.503 2 4 0 -5.16439022331959 710927 CON1C2=CC=CC=C2N(C(=O)C1=O)OC 1 0.154 2 4 0 -3.0551825327561 710921 CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=CC=C3)[O-] 1 1.979 2 3 0 -6.48961817071643 710920 CCON1C2=CC=CC=C2[N+](=C(C1=O)C)[O-] 1 0.305 2 3 0 -6.94310676215231 710917 CCON1C2=CC=CC=C2[N+](=CC1=O)[O-] 1 0.226 2 3 0 -4.38453340712393 710913 CCOC(=O)CON1C2=CC=CC=C2[N+](=C(C1=O)C)[O-] 1 1.2e-002 2 5 0 -13.0237509262359 710911 CC1=[N+](C2=CC=CC=C2N(C1=O)OCC3=CC=CC=C3)[O-] 1 1.54 2 3 0 -6.7235489171433 710905 CCOC(=O)CON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=CC=C3)[O-] 1 1.686 2 5 0 -12.5702623348 710900 CON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=CC=C3)[O-] 1 1.63 2 3 0 -5.58917188756813 710899 CC1=CC(=NOC(=O)C2=CC=C(C=C2)OC)C=C(C1=O)C 1 3.119 1 4 0.424722603322486 710888 CC1=CC(=O)C=C(C1=NOC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C 1 3.086 1 6 0 0.309459525148984 710873 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 1.393 3 5 0 -9.00715955036311 710866 CC1=CC(=NOC(=O)/C=C/C2=CC=CC=C2)C(=CC1=O)C 1 3.603 1 3 0.103083223776958 710865 COC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.489 2 4 0 -11.7458947326442 710859 CCN(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.06 2 3 -12.9702897837984 710849 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCC3=CC=CC=C3 1 3.569 2 1 -2.64421090927468 710840 CC1=C(C(=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)C 1 2.471 2 3 -5.94488054401197 710808 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.432 3 3 -3.19686989136909 710807 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3NC2=O 1 2.354 2 2 -4.85024457878625 710793 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.417 2 3 -7.0250751380952 710792 C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CN=CC=C3 1 2.575 3 1 -4.55992220069387 710787 CC1=CC(=NOC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=CC1=O 1 2.64 1 6 0 -4.5944213763983 710776 C1=CC(=C(C=C1NC(=S)N)Cl)Cl 1 3.409 2 0 -0.190631760081099 710754 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 1 0.847 4 3 0 -10.6827516001198 710737 CCC1=CC=CC(=C1NC(=O)CCCC(=O)O)C 1 2.68 1 3 -15.0591980140104 710716 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.432 3 3 0.169628182802676 710705 C1=COC(=C1)CNC2=NC=NC3=C2C=C(C=C3)Br 1 2.777 3 1 3.74887516721692 710703 CC(=O)C1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)Br 1 3.328 3 1 5.28434702378462 710698 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CO2 1 1.887 2 5 0 -7.57451199529902 710694 C1=COC(=C1)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.568 2 4 -5.02734862434863 710693 CCOC(=O)C1=C(NC(=O)NC1)C 1 -0.199 2 3 0 -14.8226181227444 710681 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)F 1 4.272 2 1 -5.06779198029952 710674 COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.123 1 2 -4.18036724277633 710667 COC1=CC=C(C=C1)C(=O)N2CCCC3=CC=CC=C32 1 3.335 1 2 -8.47142291682995 710649 COC1=CC=C(C=C1)C(=O)NN(C2=CC=CC=C2)C3=CC=CC=C3 1 4.403 2 2 -6.26676099461226 710646 COC1=CC=C(C=C1)C(=O)N2C=NC3=CC=CC=C32 1 2.983 2 2 -3.98518129059936 710634 COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F 1 3.009 1 2 -4.05722816661804 710625 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)C3=CC=C(O3)Br 1 4.03 2 2 -7.38515003254119 710614 CC1=CC=C(C=C1)C2=NCN(C(=S)N2)C3=CC=C(C=C3)C(=O)OC 1 4.522 3 2 -8.76230202663856 710609 CC1=CC(=S)C=C(N1CCO)C 1 1.272 1 1 0 -1.6011082448354 710605 CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)OC 1 3.068 1 3 -8.52300789981274 710601 CC1=C(C(=O)C2=CC=CC=C2N1)CN(C)CC3=CC=CC=C3 1 3.344 2 1 -3.18181172169496 710597 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C 1 4.034 2 2 -6.49161035737072 710593 C1=CC=C(C(=C1)N)S(=O)(=O)C(F)F 1 1.431 1 2 0 -4.28803585168055 710590 CC1=C(C(=O)C2=CC=CC=C2N1)CN3CCCCC3 1 2.677 2 1 -5.12371870131514 710585 CC1=CC(=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)C)C 1 2.457 3 2 0.2947031251346 710581 CC1=CC(=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCOCC3)C 1 2.188 2 3 -4.27378839359183 710579 C1=CC=C(C(=C1)C(=O)NC2=NC=CS2)Br 1 2.36 2 1 -5.37459883415867 710577 CC1=CC(=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3)C 1 3.873 2 2 -2.68470227087906 710575 CC1=CC(=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NCC3=CC=CC=C3)C 1 3.548 2 2 -5.08503614723517 710528 COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OCC(=O)OC 1 2.54 0 6 -9.41548105310374 710526 COC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)/C#N 1 1.902 2 5 0 -11.4451281924234 710515 CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.205 2 2 -2.00751104436608 710481 CC1=CC(=C(C=C1)NC(=O)CC2=CC=CC=C2)C 1 3.621 1 1 -8.17794354996852 710426 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.262 1 2 -11.865626429804 710402 C1=CC(=CN=C1)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.838 2 2 0 -2.46877921959467 710356 CC(C)(C)C1=CC=C(C=C1)OCC(=O)N(C)CC2=CC=CC=C2 1 4.063 1 2 -4.92903466503115 710335 C1=CC=C2C(=C1)C=CC3=C2C(=CC(=N3)C4=CNC5=CC=CC=C54)C(=O)O 1 4.794 2 2 -3.52567711606249 710320 CC(=O)NC1=C(N=C(NC1=O)SCC(=O)N2CCCCC2)O 1 -9.9e-002 4 4 0 -19.0700342226507 710311 C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC(=O)N3CCCCC3 1 3.798 3 1 -18.9543503153787 710309 CC1=CC(=NC(=C1C#N)SCC(=O)N2CCCCC2)C 1 2.59 3 1 -15.9329122478412 710280 CC1=CC(=NC(=C1C#N)SC)C2=CC=CC=C2 1 4.072 2 0 -4.05167524397814 710263 CN1C(=C(C=N1)Br)C(=O)NC2=CC=C(C=C2)C(=O)OC 1 2.159 3 3 -7.14727966746296 710260 CN1C=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3 1 1.411 3 3 0 -11.3967416497306 710257 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)O 1 2.503 2 3 -4.71611495791577 710249 C1=CSC(=C1)CCNC(=O)C2=CC=CS2 1 2.563 1 1 -10.2851225791505 710241 CC1=CC=C(O1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)OC 1 3.07 2 4 0.611125537261941 710113 CC1=C(SC=C1)C=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.959 3 1 -8.40339579210338 710110 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CS3 1 2.472 3 1 -10.3333773889153 710093 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=N3 1 1.797 4 1 0 -8.08246339951688 710091 CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)C(=O)O 1 2.602 1 5 -5.70415797628242 710087 CCOC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)C3=CC=NC=C3 1 2.773 3 2 -2.60078130106332 709972 COC1=CC=C(C=C1)CC(=O)N2CCNC2=O 1 0.861 2 3 0 -13.0382097005856 709967 C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)C#N 1 3.582 2 1 -2.04625610209045 709955 COC1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.635 1 4 -14.0062543571327 709925 CC1=CC(=O)C(=C(O1)NC2=CC(=CC=C2)F)C(=O)C 1 2.278 1 3 -0.807940685274791 709921 CCC1=CC=C(C=C1)NC2=C(C(=O)C=C(O2)C)C(=O)C 1 3.015 1 3 -3.23112573821692 709918 CC1=CC(=O)C(=C(O1)NC2=CC3=C(C=C2)OCCO3)C(=O)C 1 1.858 1 5 0 -7.00081706973555 709905 CC12CN3CC(C1O)(CN(C2)C3C4=CC=CS4)C 1 1.871 2 1 0 -3.71641482628872 709901 CC12CN3CC(C1=O)(CN(C2)C3C4=CC=CS4)C 1 2.258 2 1 -7.79462199757947 709890 CC1=NC2=C(C=CC=C2OC(=O)N(C)C3=CC=CC=C3)C=C1 1 3.845 2 2 -4.3524776338851 709882 CN(C1=CC=CC=C1)C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3 1 4.226 2 2 -1.7660278074312 709881 CCOC1=CC=CC=C1N2C(=O)C3=C(C2=O)N=CC=C3 1 2.049 2 3 -6.07188017300273 709871 CN1C2=C3C=CC=NN3C=C2C(=O)N(C1=O)C 1 0.204 4 2 0 -8.93113252111536 709870 CC(=O)NN1C=C2C(=C1C3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C)C 1 1.238 4 4 0 -8.48288956730135 709854 C1CC2=C(C(=C(C=C2Cl)Cl)O)NC1 1 3.256 1 1 -2.00280926966044 709850 COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O 1 2.618 1 5 -12.9465200425666 709847 CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC 1 3.326 2 3 -5.21006710150319 709846 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=NC=CC=N4 1 2.616 3 2 -7.35106626978402 709844 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=C(N=CC=C4)Cl 1 3.597 2 2 -4.49127543019629 709831 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=C(C=C2)OCC(=O)O)C 1 3.241 1 5 -4.94515065897974 709823 CC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 3.039 2 3 -1.64365595142989 709816 CC1CCN(CC1)C(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 2.426 1 4 -14.0892561267546 709814 CC1=C(N=NN1C2=NON=C2NC(=O)C)C(=O)NCC3=CC=CC=C3 1 0.957 7 3 0 -24.9804328905544 709809 CC1=CC=CC=C1C(=O)NC2=C3CCCCC3=NC4=CC=CC=C42 1 4.807 2 1 -3.50095008844642 709807 CSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1N 1 1.889 5 1 0 -6.90375382640304 709806 C1CCC2=NC3=CC=CC=C3C(=C2C1)NC(=O)C4=CC=CC=C4Cl 1 4.985 2 1 -1.11102669648012 709793 CCC1=C(N=C2N1N=C(C(=N2)C)C)C3=CC=CC=C3 1 3.179 4 0 -1.00299902723274 709787 COC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)F)N 1 2.376 5 2 0 -13.5256963705926 709777 CC(C)OC1=NN2C(=NN=N2)C=C1 1 0.402 5 1 0 -9.20668159420978 709746 C1=CN=CC=C1C2=NN=C3N2C4=C(S3)C=C(C(=C4)C#N)C#N 1 2.212 6 0 -1.84358206609154 709733 COC1=CC=C(C=C1)C2=NOC(=N2)C3=CC4=C(C=C3)OCO4 1 2.896 2 4 5.44780308804161 709717 CC(C)CCN1C2=CC=CC=C2N=C1C3=CC(=C(C=C3)OC)OC 1 5.024 2 2 -2.13783967421639 709713 CC1(CC2=NOC(=C2C(=O)C1)C3=CC=CC=C3)C 1 3.08 1 2 -5.65996045913181 709712 CC1=CC(=O)C2=C(N1C3=CC=C(C=C3)OC)CC(CC2=O)(C)C 1 3.079 1 3 -10.4926931242752 709709 COC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCOCC3 1 1.253 3 3 0 -6.49884618318469 709685 CC(C)OC1=CC=CC=C1NC(=O)CSC2=NC=CN2C 1 2.352 3 2 -12.7499594626744 709682 CN1C=CN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32 1 2.551 3 1 -9.41651983957507 709667 CC(C)CCN1C2=CC=CC=C2NC1=O 1 2.479 2 1 -6.86348980733271 709639 CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C 1 2.022 2 1 5.64295382099151e-002 709614 CCCC1=NC2=CC=CC=C2N1CCC3=CC=CC=C3 1 4.84 2 0 -2.82069848472038 709605 CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=NC=NN4 1 3.426 5 2 0 6.50595760864987 709603 CCCC1=NC2=CC=CC=C2N1CCOC3=CC=CC=C3 1 4.567 2 1 -2.05217388105081 709602 CC1=C(C=CC=C1NC(=O)C2=NC=NN2)C3=NC4=CC=CC=C4S3 1 3.276 5 1 0.747936948557389 709591 C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=NC=NN4)Cl 1 2.896 5 2 0 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C1=CC2=C(C(=C1)OCC3=CN4C=CC=NC4=N3)N=CC=C2 1 2.154 4 1 -6.92166698171295 708793 C1=CC=C(C(=C1)NC(=O)NC2=NC=C(C=C2)Cl)Cl 1 3.24 3 1 -2.67757207815403 708788 CC1=C(N=CC=C1)NC(=O)NC2=CC=C(C=C2)F 1 2.603 3 1 -1.92553208894585 708785 CC1=CC(=NC=C1)NC(=O)NC2=CC=C(C=C2)F 1 2.603 3 1 -0.754107544085533 708779 COC(=O)C1=CC=CC=C1NC(=O)/C=C/C(=O)O 1 1.049 1 5 0 -10.7195618233836 708775 CN1C(=NN=N1)SCC2=CN3C=CC=NC3=N2 1 0.378 7 0 0 -12.4135082458323 708772 CN1C(=NC=N1)SCC2=CN3C=CC=NC3=N2 1 1.033 6 0 0 -4.64288086254666 708756 CSC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3O2 1 3.617 2 2 -4.58053912226335 708755 C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)Cl)Cl 1 4.168 2 0 5.81828448390148 708752 CC1=NN(C(=C1)C2=CC=CO2)C3=CC=CC=C3 1 3.544 2 1 2.48516429416448 708737 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3O2 1 2.195 3 3 -10.056659710158 708734 COC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)Cl 1 3.487 2 1 4.399448585689 708732 CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)Cl 1 3.99 2 0 4.81241479483314 708730 C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)Cl 1 3.504 2 0 4.33789837851794 708728 CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])N 1 2.486 2 4 1.43202062467007 708725 C1=CC(=CC(=C1)C2=NC3=C(N2)C=C(C=C3)N)C4=NC5=C(N4)C=C(C=C5)N 1 3.218 6 0 7.49132016240799 708717 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 1 3.124 1 3 -5.51937550210166 708711 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 2.199 3 2 -4.69703122612858 708710 COC(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2 1 2.177 1 5 -17.5782899136497 708707 C1=CC=C(C=C1)N2C=C(N=N2)CO 1 1.199 3 1 0 1.3870925087568 708698 CCOC(=O)C1=CN=C2C(=C1NCC3=CN=CC=C3)C=CC=C2OC 1 2.445 3 3 -5.9457433102391 708669 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-] 1 2.5 2 5 0 -10.02630635041 708668 CC1=C(C2=NSN=C2C=C1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.123 4 3 0 -5.81795716590611 708666 CC1=C(C2=NSN=C2C=C1)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.123 4 3 0 -7.57925838957721 708645 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC2=CC(=O)CC(C2)(C)C 1 3.127 2 3 -16.5963225957391 708636 CC1=CC(=CC=C1)OCC(=O)NCC2=CC=CC=C2 1 2.943 1 2 -8.13036737505499 708628 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=NC=C(C=C3)Cl 1 2.453 2 3 -5.92514773042409 708625 COC1=CC=CC=C1C(=O)NC2=NC3=CC=CC=C3S2 1 3.223 2 2 -3.74330743733476 708615 CC1=NC(=CC=C1)NC(=O)C2=CC3=C(C=C2)OCCO3 1 2.071 2 3 -7.09015742925014 708594 C1=CC=C2C(=C1)C=CC=C2C=NNC(=S)NC3=CC(=CC=C3)Cl 1 5.658 3 0 0.103592769882769 708593 CC1=C(C(=CC=C1)NC(=S)NN=CC2=CC(=CC=C2)O)C 1 4.816 3 1 -1.2686216736037 708566 CN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC=NC=C3)N(C1=O)C 1 0.807 5 2 0 -12.9135321992626 708564 CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC=CN2C)C 1 3.101 3 1 -9.7407215446605 708541 COC1=CC=CC(=C1)NC2=NNC(=S)S2 1 2.993 3 1 -4.18176737066449 708537 CC1(OC(=O)C(=C2CCCN2)C(=O)O1)C 1 -1.e-003 1 4 0 -13.0001698727848 708529 C1CC2=C(C(=O)C1)NC3=C2C=C(C=C3)Br 1 3.684 1 1 4.61722482709517e-002 708498 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.66 3 3 -11.2447960857838 708470 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=N2 1 3.154 3 1 -8.0831527585303 708453 C1=CC(=CC=C1CSC2=NC3=NC=C(C=C3N2)Br)F 1 4.011 3 0 -4.14398543881084 708448 COC1=C(C=C(C=C1)CCNC(=S)NC(=O)C2=CC=CC=C2)OC 1 3.783 2 3 -14.8392444267915 708445 CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CC4=CC=CC=C4 1 3.915 3 1 -7.68594400507964 708443 C1COCCN1S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)NC4=O 1 0.497 2 4 0 -22.0427605507217 708441 CC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)C(=O)O)C=CC=C4C2=O 1 3.463 1 4 -2.33589264739561 708434 COC1=CC=CC=C1N2C(=O)C3=C4C(=C(C=C3)Cl)C=CC=C4C2=O 1 3.995 1 3 -0.798814481978293 708416 CCC1=CC=CC=C1NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 2.689 2 3 -11.0405092677361 708377 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)/C=C/C(=O)O 1 2.754 1 4 -2.42622222457925 708372 C1CSC(=C(C(=O)/C=C/C2=CC=CO2)C(=O)O)S1 1 2.684 0 4 -1.59151474839432 708278 CC1=C(C2=C(O1)C=CC(=C2)OC(=O)N3CCOCC3)C(=O)OC(C)C 1 2.517 1 6 0 -13.3905442371869 708276 CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C3=CC=CS3)C(=O)OC(C)C 1 4.246 0 5 -13.702788266169 708275 CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=CC=C3)C 1 2.889 2 2 -13.5963208833241 708274 COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3NC2=S 1 3.702 2 2 -4.50721649854265 708273 CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3F)C(=O)O 1 3.681 0 4 -3.51941479275223 708266 C1=CC(=CC(=C1)Cl)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl 1 4.176 3 1 -6.79647944806693 708264 C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl)F 1 3.718 3 1 -9.30581673306702 708262 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl 1 3.496 3 2 -8.55424158997493 708260 CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C 1 3.274 2 4 -1.34234603299901 708257 CN1C=C(C(=N1)C(=O)NC2=CC(=CC=C2)OC)Br 1 2.425 3 2 -4.0653801641249 708255 CCN(CC)C1=CC=C(C=C1)C=NN2C(=O)C(=NNC2=S)C 1 2.819 5 1 -11.4557976902147 708220 COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CC=C3C(=O)O 1 2.813 1 5 -17.5330760320241 708219 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3C(=O)O)C(=O)N 1 2.416 2 4 -13.1174151875556 708202 CC1=CC=CC=C1NC(=O)CC2=CC(=CC=C2)C(F)(F)F 1 4.078 1 1 -3.71111070014411 708196 CC1=CC(=NC=C1)NC(=O)CN2C=CC(=N2)[N+](=O)[O-] 1 1.424 5 3 0 -9.51429594168878 708195 CC1=CC=C(C=C1)C(=NOC(=O)C2=CC=CC=C2Br)C 1 4.359 1 2 0.279152052020548 708193 CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)C3=CC=C(S3)C 1 4.684 1 2 -8.41539789250111 708192 CC1=CC=C(C=C1)C(=NOC(=O)C2=CC=C(C=C2)F)C 1 3.816 1 2 0.47656786788463 708185 C1=CC(=CC=C1C=NOC(=O)C2=CC=C(C=C2)F)Br 1 4.098 1 2 1.48605110895249 708180 CC1=CC=C(C=C1)C(=NOC(=O)C2=CC=C(C=C2)Br)C 1 4.359 1 2 0.130029787904759 708119 CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3CC3 1 2.879 2 2 -15.1083164841061 708098 C1CCC2=C(C1)C(=C(S2)NC(=S)NC3=CC=CC=C3)C(=O)N 1 4.538 3 1 -13.1076180030666 708088 CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3CCCCC3)[N+](=O)[O-] 1 3.778 4 3 0 -3.74546325872503 708078 CC1=C(C=NC2=CC(=NN12)C3=CC=CC=C3)C(=O)C 1 2.072 3 1 -3.60471165579356 708077 CC1=CC2=C(C=C1)OC=C(C2=O)/C=C/C(=O)O 1 1.932 0 4 0 2.1198784918022 708059 COC1=CC=CC=C1N2C(=CC=C2C3=CC=CC=C3)CCC(=O)O 1 4.49 1 3 -6.95565788531719 708057 COC(=O)C1=CC=CC=C1N2C(=CC=C2C3=CC=CC=C3)CCC(=O)O 1 4.362 1 4 -8.98262283449248 708056 COC1=CC=C(C=C1)N2C(=CC=C2C3=CC=CC=C3)CCC(=O)O 1 4.49 1 3 -3.75828644543293 708055 CC1=C(C2=C(N1C3=CC(=CC=C3)Cl)C=CC(=C2)O)C(=O)C 1 4.213 1 2 3.36909406053873 708053 CC1=C(C=CC=C1[N+](=O)[O-])N=CC2=CC(=C(C=C2)OC(=O)C)OC 1 3.558 2 5 0 -1.01456963911876 708051 CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)O)C(=O)OC 1 3.671 1 3 -3.17233938684153 708047 C1=CC2=C(C=CC=C2N=CC3=CC=CO3)C(=C1)N=CC4=CC=CO4 1 4.721 2 2 5.61675855740248 708043 CC1=C(SC=C1)C=NC2=CC=C(C=C2)O 1 3.624 1 1 8.8088223260055 708039 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CC=C2Br 1 3.106 2 2 -5.27835643745001 708036 COC1=C(C2=CC=CC=C2C=C1)C=NO 1 2.548 1 2 7.28474731035012 708032 CC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=CC=C2)Br 1 3.106 2 2 -8.32254619901655 708004 CC1CCN(CC1)C(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 2.959 2 2 -11.1299093357974 707969 CC1=CC(=O)N2C(=N1)N=C(N2)C3=CC=CO3 1 0.221 4 2 0 -2.4640323601041 707951 COC1=CC=C(C=C1)C(=O)NC2=NN3C(=CC=NC3=N2)C4=CC=CC=C4 1 3.476 5 2 0 -6.58314746216668 707949 C1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)NC(=O)C4=CC=C(C=C4)F 1 3.698 5 1 -5.45830422755729 707946 C1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)NC(=O)C4=CC=CC=C4 1 3.493 5 1 -7.25886028258013 707944 C1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)NC(=O)CCC(=O)O 1 1.674 5 3 0 -11.3256567896437 707935 COC1=CC=CC=C1/C=C/C(=O)NC2=NN(C(=N2)N)C3=CC=CC=C3 1 2.924 5 2 0 -1.71217309431628 707930 COC1=CC=C(C=C1)/C=C/C(=O)NC2=NN(C(=N2)N)C3=CC=CC=C3 1 2.924 5 2 0 -1.21507674061311 707927 COC1=CC=CC=C1C(=O)NC2=NN(C(=N2)N)C3=CC=CC=C3 1 2.456 5 2 0 -3.76878018584488 707923 CC1=CC(=O)N2C(=N1)N=C(N2)C3=CC=C(C=C3)OC 1 0.81 4 2 0 -3.18083847139616 707906 CC(=NN1C(=O)C2=CC=CC=C2C1=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.382 3 4 0 -5.55146074125378 707899 CCN1C(=NNC1=S)C2=CC(=C(C=C2)OC)OC 1 2.417 3 2 -6.60379499626948 707892 CC1=CC(=C(C(=C1)C)NC2=C3C=CC=CC3=NC2=O)C 1 3.666 2 1 -3.59596920371274 707885 COC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.469 3 4 0 -4.53108125058328 707883 CCN(CC)C(=O)C1=C(OC2=C1C=C(C=C2)O)C3=CC=CC=C3 1 3.812 1 3 0.359289004764856 707882 COC1=CC2=C(C=C1)OC(=C2C(=O)N3CCOCC3)C4=CC=CC=C4 1 3.028 1 4 -2.54343153540569 707871 CCN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC=CC=C3)C4=CC=CC=C41 1 4.731 3 1 -2.37325641554209 707859 CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C4=C1C(=CO4)C 1 5.556 0 3 -5.52231059301304 707842 CCC1=CC(=O)OC2=C1C3=C(C(=C2)C)C(=CO3)C 1 4.078 0 3 -3.43988077978153 707841 CCCC1=CC(=O)OC2=C1C3=C(C(=C2)C)C(=CO3)C 1 4.534 0 3 -2.88790816264064 707837 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.137 4 3 0 -9.7854829057368 707828 CC1=COC2=C1C=C3C4=C(C=C(C=C4)OC)C(=O)OC3=C2C 1 4.21 0 4 0.176702174398152 707815 CC1=C(OC2=C1C=C3C4=C(C=C(C=C4)OC)C(=O)OC3=C2)C 1 3.869 0 4 -1.66119155691587 707797 CC(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)Cl 1 4.542 2 1 -1.96313511513886 707786 CC1=C(C=CC=C1[N+](=O)[O-])N=CC2=CC=C(S2)Br 1 4.328 2 2 5.14844476417972 707783 CCOC1=CC=CC=C1C=NNC(=O)C2=CC(=CC=C2)Cl 1 3.68 2 2 -2.64751778474775 707782 CCCC1=CC(=O)OC2=C(C3=C(C=C12)C(=CO3)C)C 1 4.534 0 3 -0.478278413093264 707781 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)O 1 2.598 1 4 -6.26284269720606 707778 CC1=COC2=C1C=C3C(=CC(=O)OC3=C2)C4=CC=C(C=C4)OC 1 4.151 0 4 0.620324280860393 707773 CC1=C(OC2=C1C=C3C(=CC(=O)OC3=C2C)C4=CC=C(C=C4)OC)C 1 4.783 0 4 6.8409391517016 707764 C1=CC(=C(C=C1C2=CC=C(O2)C=NNC(=S)N)Cl)Cl 1 4.333 3 1 1.3759228818285 707760 CCC1=CC(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC(=C(C=C4)OC)F 1 4.813 0 4 -0.141621109486555 707758 CC1=CC(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC(=C(C=C4)OC)F 1 4.357 0 4 0.613350791729204 707729 CC1=COC2=C1C=C3C(=CC(=O)OC3=C2C)C4=CC=CC=C4 1 4.654 0 3 3.17460096844645 707724 CC1=C(OC2=C1C=C3C4=C(CCCC4)C(=O)OC3=C2C)C 1 4.754 0 3 -0.543605419656187 707723 CC1=COC2=C1C=C3C4=C(CCCC4)C(=O)OC3=C2C 1 4.609 0 3 -4.14839339574028 707719 CC1=C(OC2=C1C=C3C4=C(CCC4)C(=O)OC3=C2C)C 1 4.298 0 3 -0.234795298771517 707718 CC1=COC2=C1C=C3C4=C(CCC4)C(=O)OC3=C2C 1 4.153 0 3 -3.83958327485561 707716 CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)N3CCCCC3)N 1 1.702 3 2 0 -7.60986431445932 707714 CC1=C(OC2=C1C=C3C4=C(CCC4)C(=O)OC3=C2)C 1 3.812 0 3 -6.79930084712253 707705 CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)C)C 1 3.582 0 3 -3.02609077909492 707701 CCCC1=CC(=O)OC2=CC3=C(C=C12)C(=C(O3)C)C 1 4.193 0 3 -2.70199032455999 707698 CCC1=CC(=O)OC2=CC3=C(C=C12)C(=C(O3)C)C 1 3.737 0 3 -2.98089228267937 707697 CCC1=CC(=O)OC2=CC3=C(C=C12)C(=CO3)C 1 3.592 0 3 -3.49732362783305 707687 CCOC(=O)C1=C(N(N=C1N)C(=O)C)C2=CC=CC=C2 1 2.07 3 3 -3.71342933735741 707685 CC(=O)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC 1 0.935 3 4 0 -5.00542357105814 707674 CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2C)C 1 4.965 0 3 -2.91475916564595 707668 C1CCCN(CC1)C(=O)NC2=CC(=CC=C2)Cl 1 3.19 2 1 -2.6537147099071 707664 COC(=O)CSC1=NN=C(O1)C2=C(C3=CC=CC=C3S2)Cl 1 3.737 2 3 -9.6621262779918 707658 CCOC(=O)C1=C(NN=C1N)C2=CC=C(C=C2)OC 1 2.064 3 3 -4.61714677511935 707648 CC1=CC(=NC(=C1C(=O)N)OC)OC 1 1.213 2 3 0 -6.59115421927833 707647 C1COCCN1C(=O)NC2=CC(=CC=C2)Cl 1 1.504 2 2 0 -4.22201115968269 707645 CC1=C(C(=NC(=C1[N+](=O)[O-])C)Cl)C(=O)NCCC(C)C 1 3.004 3 3 -9.18585334179592 707642 CC1=C(C(=NC(=C1[N+](=O)[O-])C)Cl)C(=O)NCC2=CC=CC=C2 1 3.007 3 3 -6.00242895901895 707641 CCN(CC)C(=O)C1=C(C(=C(N=C1Cl)C)[N+](=O)[O-])C 1 2.327 3 3 -4.87914856861268 707638 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC=NN2 1 1.642 4 2 0 -13.5486042720877 707635 CCSC1=NC2=CC=CC=C2N1CC(=O)N3CCOCC3 1 1.937 3 2 0 -12.9446879457584 707619 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@@H](C)C3=CC=CC=C3 1 4.209 2 2 -11.5089417579671 707608 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)SN=N4 1 2.435 5 1 -5.24241924242554 707601 CC1=C(N(C(=N1)C2=CC(=C(C=C2)OC)[N+](=O)[O-])O)C(=O)C 1 -0.292 3 5 0 -4.92763611233249 707596 C=CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SN=N3 1 3.61 3 1 -12.3580860108287 707587 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SN=N4 1 3.046 4 1 -4.39202454872063 707586 CCOC(=O)CN1C(=C(C(=N1)C)[N+](=O)[O-])C 1 0.858 3 4 0 -8.08147338857489 707584 C1=COC(=C1)CNC(=O)C2=CC3=C(C=C2)SN=N3 1 1.976 3 2 0 -12.975408711854 707582 C1CCN(CC1)C(=O)NC2=CC3=C(C=C2)SN=N3 1 2.242 4 1 -9.36408601887465 707574 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3CCCCCC3 1 4.563 2 2 -10.3507622756009 707572 C1CCN(C1)C(=O)C2=CC3=C(C=C2)SN=N3 1 1.878 3 1 0 -8.0462303678299 707564 C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C2)SN=N3)F 1 2.993 3 1 -9.10080534432697 707560 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SN=N3 1 2.527 3 2 -11.201734524889 707553 C1=COC(=C1)CNC(=O)NC2=CC3=C(C=C2)SN=N3 1 1.884 4 2 0 -10.6080361474417 707551 C1CSCCN1C(=O)C2=CC3=C(C=C2)SN=N3 1 1.849 3 1 0 -7.72137241002089 707529 CC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)O)CCC(=O)O 1 4.751 1 3 -1.26767025489344 707498 CC1=C(C=C(C=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)O)C 1 5.432 1 2 -5.33667312795315 707467 COC1=CC=C(C=C1)CC2=NNC(=NC2=O)SC 1 2.234 3 2 -11.9498304320728 707457 CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O 1 0.84 1 4 0 -7.07261158577691 707447 C1=CC(=CC=C1C2=CC=C(N2CC(=O)O)CCC(=O)O)Cl 1 3.076 1 4 -5.43737565427315 707445 CC1=CC=C(C=C1)C2=CC=C(N2CC(=O)O)CCC(=O)O 1 2.897 1 4 -7.25937434485997 707444 C1=CC=C(C=C1)C2=CC=C(N2CC(=O)O)CCC(=O)O 1 2.411 1 4 -7.73389076117517 707418 CC1=CC=CC=C1N2C(=NNC2=S)CC3=CC=CS3 1 4.153 3 0 -7.75980962765531 707395 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.314 2 3 -18.7089252575457 707391 C1=COC(=C1)C2=NN=C(O2)C3=CC=C(C=C3)Cl 1 3.113 2 2 6.24571933166044 707381 C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CO4 1 3.268 3 3 -2.8173478398938 707367 CC1=C(C(=O)N(N=C1C(=O)O)C2=CC=CC(=C2)C(F)(F)F)C#N 1 2.559 3 3 -1.23597143384076 707366 CC1=C(C=C(C=C1)N2C(=O)C(=C(C(=N2)C(=O)O)C)C#N)Cl 1 2.768 3 3 -6.38050736289362 707347 COC1=CC(=C(C=C1)OC)C=NNC(=O)CCC2=NNC(=O)NC2=O 1 0.121 5 5 0 -25.2542098864433 707278 COC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)N3C=CC=C3 1 3.82 1 3 3.80915213334087 707268 CC1=NC=C(N1CC(=O)NC2=CC(=C(C=C2)OC)Cl)[N+](=O)[O-] 1 1.487 4 4 0 -11.5861333246911 707266 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.64 2 4 -2.34666199339669 707262 CCN(C1=CC=CC=C1)C(=O)CN2C(=NC=C2[N+](=O)[O-])C 1 1.393 4 3 0 -13.2222921620066 707260 C1COCCN1C(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 0.555 2 4 0 -6.69114560457965 707247 CN(CC1=CC=CC=C1)C(=O)COC2=CC=CC=C2Cl 1 3.327 1 2 -8.255718805343 707238 C1=CC=C(C(=C1)OCC(=O)NCC2=CC=CO2)Cl 1 2.303 1 3 -11.1410189281449 707236 C1=CC=C(C=C1)CNC(=O)COC2=CC=CC=C2Cl 1 3.121 1 2 -9.87336592886954 707234 COC(=O)C1=CC=C(C=C1)CON=C2CCCC3=NON=C32 1 2.136 3 4 0 -5.91929677636296 707206 CCC1=C(N=C2N=C(NN2C1=O)NC(=O)C)C 1 -0.156 5 2 0 -9.57327259908267 707197 COC1=C(C=C(C=C1)C=NC2=C(N=C3N2C=CC=C3)C4=CC=CO4)OC 1 4.015 3 3 -0.476817184074844 707195 CCOC(=O)CC1=CSC(=N1)NC(=O)/C=C/C2=CC=C(C=C2)OC 1 2.73 2 4 -10.040257935517 707191 CC(C)(C)NC1=NC2=NON=C2N=C1NC(C)(C)C 1 1.103 6 1 0 -13.4000459450847 707185 COC1=CC=C(C=C1)/C=C/C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.361 1 4 -10.4626921867002 707179 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3O2 1 3.746 1 3 -7.65299050489476 707175 CC1=CC(=NC(=N1)NC2=NC3=CC4=C(C=C3C(=N2)C)OCO4)C 1 2.18 5 2 0 -2.50151193659274 707172 CCOC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C4=C(N3)CCC4 1 2.631 5 2 0 -11.0654570644717 707169 CC1=NC(=NC2=CC=CC=C12)NC3=NC(=O)C4=C(N3)CCC4 1 2.299 5 1 -10.4779669457682 707165 C1CCC(CC1)NC(=O)N2CCC3=CC=CC=C32 1 3.085 2 1 -11.9690951205856 707162 CC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C4=C(N3)CCCC4 1 3.241 5 1 -9.39099049203868 707153 CCOC(=O)C1=CNC2=C(C1=O)C=CC3=C2CCCC3 1 2.89 1 3 -7.73621086102794 707134 CC1=NC=C(N1CC(=O)NC2=CC(=C(C=C2)F)Cl)[N+](=O)[O-] 1 1.709 4 3 0 -8.85285557582451 707119 CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC(=CC(=N3)N)N 1 2.352 6 1 0 -0.892972047425721 707117 C1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=NN3C4=CC=CC=C4 1 2.967 6 1 0 -11.0081717820889 707079 CC1=NC=C(N1CC(=O)NC2=CC(=C(C=C2)F)F)[N+](=O)[O-] 1 1.25 4 3 0 -9.91547927839687 707057 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)C4=CC=CO4 1 4.08 1 2 0.695512789508643 707055 C1=CC=C(C=C1)NC2=NNC(=S)S2 1 3.009 3 0 -4.67490194611396 707054 CN1C2=C(CN(CN2)CCN3CCNCC3)C(=O)N(C1=O)C 1 -0.993 6 2 0 -17.4431752131643 707050 C1=CC(=CC(=C1)Cl)NC(=S)NN 1 2.407 3 0 -0.701043662827833 707046 COC1=CC=CC=C1NC2=NNC(=S)S2 1 2.993 3 1 -4.80369692948769 707045 C1=CC2=NC(=S)N(N2C=C1)C(=O)C3=CC=C(C=C3)F 1 2.476 3 1 -6.59128837175124 707038 C1=CC=C(C(=C1)NC2=NNC(=S)S2)F 1 3.215 3 0 -3.49668960397465 707037 C1=CC(=CC(=C1)Cl)NC(=O)NN=CC2=CC=CO2 1 2.651 3 2 -0.961979196573321 707035 C1=CC=C2C(=C1)NC(=S)N2 1 2.536 2 0 -4.71224454331934 706998 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.748 3 1 -1.67871637721884 706997 CC1=CC=CC=C1NC(=S)NCCC2=CC=C(C=C2)OC 1 4.886 2 1 -9.41734015396101 706992 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.748 3 1 -3.56586697303887 706990 COC(=O)C1=CN(C2=CC=CC=C21)C(=O)C3=CC=CC=C3 1 3.633 1 3 -2.59918754125651 706988 C1=CC(=CC=C1NC(=S)NN)Cl 1 2.407 3 0 -1.62791422894646 706983 CC1=CC=CC=C1NC(=S)NCCC2=CC=CC=N2 1 3.894 3 0 -11.6595300889031 706965 COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=CC=C2OC)OC 1 4.367 2 3 -13.8478687983124 706957 COC1=CC=CC=C1NC(=S)NC2=CC=CC=N2 1 3.738 3 1 -6.28755500971918 706950 C1CC2=NON=C2C(=NOCC3=CC=C(C=C3)Cl)C1 1 2.945 3 2 0.235512035480867 706948 C1CC2=NON=C2C(=NOCC3=CC=C(C=C3)F)C1 1 2.486 3 2 -0.8746096296407 706945 C1OC2=C(O1)C=C(C=C2)C3=CN4C=CC=CC4=C3 1 2.812 1 2 -0.872314714588638 706933 C1=CC(=CC(=C1)C(F)(F)F)C2=NNN=N2 1 2.241 4 0 6.53516260785577 706927 C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(=O)C4=CN=CC=C4 1 1.828 4 1 0 -1.24826286105234 706924 C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(=O)C4=CC=NC=C4 1 1.828 4 1 0 1.18182787652655 706914 CCN1CCN(CC1)C(=S)C2=CC=C(C=C2)OC 1 2.957 2 1 -2.47147177675926 706903 CC1=CC=CC=C1OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C 1 2.488 4 3 0 -7.85924864640699 706887 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=C(C=C3)Cl)Cl 1 2.812 4 2 -13.0362516370431 706880 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)Cl 1 2.147 4 2 -12.7504444219072 706879 CC1=CC2=C(C=C1)N=C(C(=C2)C#N)Cl 1 3.255 2 0 2.90888410771061 706876 CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC(=CC=C3)Cl 1 2.147 4 2 -4.98272846990238 706870 CC(=O)C1=CC(=C(C=C1O)OC)OC 1 1.295 0 4 0 -3.70271902241973 706865 CCN1C2=C(C(=O)N=C(N2)C)SC1=S 1 1.685 3 1 0 -6.09470049305034 706858 CCNS(=O)(=O)C1=C(C=C(C=C1C)N2CCCC2=O)C 1 1.644 2 3 0 -14.1766695352118 706824 CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C 1 0.481 1 3 0 -6.42946618887961 706821 CC1=CC(=NC(=C1C#N)NC2=CC=C(C=C2)F)C 1 3.621 3 0 -1.92104912545223 706817 CC1=CC(=NC(=C1C#N)N(C2=C(C=C(C=C2)OC)OC)C(=O)C)C 1 2.736 3 3 -8.50155127853522 706810 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C 1 1.243 3 4 0 -16.0724955998549 706801 C1CS(=O)(=O)N=C2N1C3=C(S2)C=C(C=C3)C(=O)O 1 0.741 2 4 0 -8.54364010073361 706792 CC(C)(C)C1=NN=C(N(C1=O)N=CC2=CC=C(C=C2)Cl)SC 1 4.613 4 1 -2.4206351331198 706767 CCOC(=O)C1=NN(C=C1C(=O)C2=CC=CC=C2)C3=CC=CC(=C3)C 1 4.579 2 3 1.72818698656165 706756 C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC4=CC=CC=C4OC3=O 1 3.032 2 3 -13.8985140678012 706754 CC1=C(C=C(C=C1)N2C(=C3C(=NN=C(C3=C2C)C)C)C)N 1 2.592 4 0 0.206779881617335 706730 CC1=NC2=CC=CC=C2C3=C1C(=O)N(C3=O)C 1 1.331 2 2 0 -0.510753666826733 706707 CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3 1 1.307 4 1 0 -2.35184543150097 706696 CC(=O)C(=CNC1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)C 1 2.055 2 2 5.32664413470523 706682 CC1=C(C2=NSN=C2C=C1)S(=O)(=O)NCC3=CC=NC=C3 1 1.788 4 2 0 -1.90876517864283 706653 C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2C#N)N)C#N 1 3.404 5 0 -6.47250373674883 706636 CC1=CC(=C(C=C1)NCC2=NN=C3N2CCCCC3)C 1 3.386 4 0 -9.85585528565412 706621 C1=CC=C(C=C1)N2N=CC(=N2)C3=NNN=N3 1 1.304 7 0 0 -0.226342743954962 706617 C1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=CC=CC=C3Cl 1 4.743 3 0 -8.87013981855085 706615 C1=CC=C2C(=C1)C=NN(C2=O)CC3=CC(=CC=C3)Br 1 3.391 2 1 0.127012052229088 706607 C1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)O)C3=CC=CC=C3 1 4.1 2 2 12.0896058498115 706601 CCN(CC)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C 1 2.059 5 2 0 -8.25282421319776 706589 CN1C2=C(C(=O)NC1=O)N(C(=N2)SC)CCCC3=CC=CC=C3 1 3.138 4 2 -7.65204994499317 706586 CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CCCC3=CC=CC=C3 1 2.627 4 2 -2.56246401159449 706562 C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(=O)C3=CC(=C(C=C3)O)O 1 2.802 2 4 -3.11643029494539 706561 CC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)C(C)C 1 3.418 2 2 -12.9918246258411 706548 CC1=NNC(=NC1=O)SCCC(C)C 1 2.132 3 1 -13.1962203333692 706526 CC1=CC(=C(C=C1)C)OC2=NS(=O)(=O)C3=CC=CC=C32 1 3.816 1 3 2.55054377421224 706522 CN1C=C(C2=CC=CC=C21)C=C3C(=O)OC4(CCCCC4)OC3=O 1 3.776 1 4 1.12307748581817 706510 C1=CN2C=C(N=C2N=C1)C3=CC(=C(C=C3)Cl)Cl 1 3.461 3 0 3.79979866183431 706496 CCN(CC)S(=O)(=O)C1=CC=CC2=C1N=CC=C2 1 1.83 2 2 0 -10.4594179128407 706495 CNS(=O)(=O)C1=CC=CC2=C1N=CC=C2 1 0.927 2 2 0 -9.94748438791227 706406 CC(=O)C1=CC=CN1S(=O)(=O)C2=CC=CC=C2 1 2.312 1 3 -6.79182953244801 706402 CC1=CC(=NS(=O)(=O)C2=CC=C(C=C2)OC)C=C(C1=O)C 1 2.976 1 4 -4.70109053756195 706391 C=CCN1C2=C(C=C(C1=N)C#N)C(=O)N3C=CC=CC3=N2 1 0.541 5 1 0 -22.121357267248 706390 CCOC(=O)C1=CC2=C(N=C3C=CC(=CN3C2=O)C)N(C1=N)CC=C 1 1.313 4 3 0 -22.9344228651317 706389 CC1=C(C(=O)C=CC1=NS(=O)(=O)C2=CC=C(C=C2)OC)C 1 2.976 1 4 -1.66322401833626 706370 CC1=CC(=C(C=C1O)C(C)C)NS(=O)(=O)C2=CC=C(C=C2)OC 1 3.739 1 4 0.142197088818777 706367 CC1=C(C=C(C(=C1)O)C(C)C)NS(=O)(=O)C2=CC=C(C=C2)OC 1 3.739 1 4 -1.87536693872402 706322 CC1=CC(=C(C=C1O)C(C)C)NC(=O)/C=C/C2=CC=CC=C2 1 4.52 1 2 -0.733212610537781 706317 C1=CC2=NN=C(N2C(=C1)Cl)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.013 4 2 -1.25832411582389 706316 CC1=CC(=C(C=C1O)C(C)C)NC(=O)C2=CC=CC=C2Cl 1 4.717 1 2 -1.66548460020573 706315 CC1=CC(=C(C=C1O)C(C)C)NC(=O)C2=CC=C(C=C2)Cl 1 4.717 1 2 0.40158818005193 706300 CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)C2=CC=CC=C2Cl 1 4.717 1 2 -5.03095774464296 706296 CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)C2=CC(=CC=C2)Cl 1 4.717 1 2 -2.45280811504909 706289 CC1=C(C=CC(=C1C)O)NC(=O)/C=C/C2=CC=CC=C2 1 3.812 1 2 -0.814131684963583 706288 CCCC1=C(C2=C(C=CC(=C2)OC)N=C1C)SCCC(=O)O 1 3.952 1 3 -6.55443404482253 706275 COC1=CC=CC=C1OCC2=NC3=CC=CC=C3N2CC=C 1 3.912 2 2 -5.9284759148829 706271 CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)N=CC=C3 1 2.203 2 2 -1.68960575784895 706268 CCCN1C2=CC=CC=C2N=C1COC3=CC=CC=C3OC 1 4.167 2 2 -2.86690826354909 706244 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1.623 4 1 0 -9.87064220809641 704206 CC1=C(C2=C(O1)CCCC2)C(=O)NC3=CC=CC(=C3)C(=O)O 1 2.877 1 4 -10.2961287208047 704202 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=C(C=C3)C(=O)O 1 2.839 1 4 -0.78766307341279 704197 CC1=C(C(C(=C(N1)C)C#N)C2=CC(=C(C(=C2)OC)OC)OC)C#N 1 1.869 3 3 0 -11.801006142623 704196 COC1=CC(=CC(=C1OC)OC)C2=NC(=NO2)C3=CN=CC=C3 1 1.945 3 4 0 0.101425640381147 704184 COC1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC 1 3.616 1 4 -1.87932033696946 704173 CC(=C1C(=O)NN(C1=O)C2=CC(=C(C=C2)F)Cl)C 1 2.536 2 2 -3.39467630078283 704168 C1=CC=C2C(=C1)C(=NS2(=O)=O)NNC(=O)C3=CC=CC=C3Cl 1 2.117 3 3 -7.79633236619701 704167 C1=CC=C(C=C1)OCC(=O)NNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.288 3 4 0 -8.72052318859686 704166 C1=CC=C2C(=C1)C(=NS2(=O)=O)NNC(=O)C3=CC=C(C=C3)Cl 1 2.117 3 3 -4.42367608801008 704154 CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC4=CC5=C(C=C4)OCO5 1 4.863 3 2 -10.1314752562833 704149 CC1=C(C=C(O1)C(C)(C)C)C(=O)N 1 1.773 1 2 0 -2.90311500014926 704147 CC1=C(SC2=C1C(=NC=N2)SCC3=C(ON=C3C)C)C 1 3.29 3 1 -13.2997063798481 704135 CN(C)/C=C\1/C(=O)OC(=N1)C2=CC=CC=C2 1 1.335 2 2 0 -7.88094101136426 704134 CN(C)/C=C/1\C(=O)OC(=N1)C2=CC=CC=C2 1 1.335 2 2 0 -7.88094101136426 704132 C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4C=NC5=CC=CC=C54 1 4.467 4 0 -0.800562697963979 704124 CC1=C(N(C2=CC=CC=C12)C(=O)CSC3=NC4=CC=CC=C4N3)C 1 4.86 3 1 -1.00209662820625 704121 CC1=C(C(=NO1)C)CSC2=NN=C3N2C4=CC=CC=C4S3 1 3.513 4 1 -13.7295724732255 704116 CC1=NC(=C2C3=C(CCC3)SC2=N1)NCC4=CC=CO4 1 3.107 3 1 -8.16136656138347 704100 CC1CCN(CC1)CC2=NC(=NC(=N2)NC3=C(C=C(C=C3)C)C)N 1 3.257 6 0 -2.87266023935544 704098 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CO3 1 3.559 3 1 -2.34047107075829 704084 CC1=CC2=C(C=C1C)N(C=N2)C3=C4C(=C(SC4=NC=N3)C)C 1 4.553 4 0 -2.11338875239968 704076 C1CC(=O)C(=NNC2=CC=C(C=C2)C(=O)O)C(=O)C1 1 1.643 2 4 0 -8.97306158221657 704044 CCOC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)[N+](=O)[O-])C 1 2.261 4 4 0 -11.5037049197828 704023 C1=CC=C(C=C1)C2=CC3=C(S2)N=CNC3=S 1 3.245 2 0 -0.839882244553147 704016 CC1=C(C=C(C=C1)C2=CSC3=C2C(=S)NC=N3)C 1 3.926 2 0 5.35426804168469 703967 CC1=NC2=C(S1)C=CC(=C2)NN=C3C(=O)CCCC3=O 1 2.358 3 2 -8.01284666758564 703963 C1=CSC(=C1)C2=CSC3=C2C(=O)N(C=N3)N 1 1.516 3 1 0 -5.26193899221586 703957 C1CN(CCN1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.276 2 2 0 -13.2976031962791 703953 CC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)(C)C)C(=O)N1N 1 3.042 3 1 0.312279691861018 703947 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)O 1 1.92 1 3 0 -7.38911646770139 703939 CC(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC=N3 1 3.249 2 1 0.323059145369132 703931 CCOC(=O)C1=NN(C=C1O)C2=CC3=C(C=C2)OCO3 1 2.215 2 5 0 0.899591432880341 703911 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.679 3 3 -4.20376588310033 703908 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.974 2 2 -11.3732295986803 703907 C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC4=CC=CC=C4F 1 5.365 2 0 -13.6773468803712 703905 CSC1=NC2(CCCCC2)CC13C=CC(=O)C=C3 1 3.216 1 1 4.51012356808784 703900 COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC 1 2.804 2 5 0 -14.1865638935948 703899 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CO2)OC 1 2.305 1 4 -10.4332232380091 703898 CC1=CC=C(N1N2C(=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)C)C 1 3.556 3 1 -2.43901338551165 703891 CC1=NN(C(=C1)N)C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4 1 3.056 5 0 -2.24853640934433 703868 COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC=CO3 1 3.17 1 4 -5.9363264409358 703864 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CS3)C(=O)O 1 3.367 1 3 -11.6650820907224 703860 CCOC(=O)C1=C(NC(=C1C)C(=O)CC(=O)OC)C 1 1.826 1 5 0 -9.34714240466825 703851 CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)CC 1 1.696 3 3 0 -4.31580046956438 703850 CC1=C(SC2=C1C(=NC=N2)SC3=NN=NN3C4=CC=CC=C4)C 1 3.83 6 0 -12.5113113200961 703841 C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.363 4 2 0 -9.63722966741422 703829 C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C(=O)N3N5C2=NN=C5 1 1.989 5 1 0 -5.27813131616135 703809 COC1=CC=C(C=C1)CN2C3=CC=CC=C3NC2=S 1 4.457 2 1 -1.09227566397789 703790 CCN1CCN(CC1)S(=O)(=O)C2=CC=CS2 1 1.039 2 2 0 -12.447226993543 703785 CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C)N 1 2.124 3 2 -5.43933101001722 703784 C1=CC=C2C(=C1)C(=O)N=C(N2)C3=CN=CC=C3 1 1.343 3 1 0 -5.45103990785073 703771 COC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3=CC=CC=C3O 1 2.823 1 5 3.75003947524175 703769 CC1=C(C=C(C=C1)NC(=O)C2=C(N=C(S2)N)C3=CC=CC=C3)C 1 4.076 3 1 2.63199033558491 703762 CC1=C(C=C(O1)C(C)(C)C)C(=O)NC2=CC=C(C=C2)C(=O)O 1 3.185 1 4 -6.07468693515624 703759 CC1=NN(C(=O)C2=CC=CC=C12)C3=NC4=CC=CC=C4N3 1 2.673 4 1 -2.48010003166324 703756 CCOC(=O)C1=NN(C=C1O)C2=CC3=C(C=C2)OCCO3 1 2.233 2 5 0 -0.545709720688097 703751 C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.141 3 3 1.29052738795304 703748 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC(=C(C=C2)Cl)C 1 2.438 2 4 -5.50281811609961 703726 CC1=NC(=C2C3=C(CCC3)SC2=N1)N4C(=C(C=N4)C#N)N 1 2.017 6 0 -11.1845443885983 703724 COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=CO3)OC 1 2.507 2 4 3.08831334015372 703723 C1=CC(=CC=C1C2=CSC3=C2C(=S)NC=N3)Cl 1 3.618 2 0 4.65982201807972 703721 COC(=O)C1=CN(C2=CC=CC=C21)C(=O)C3=CC=CO3 1 3.028 1 4 -1.76393781687919 703711 COC1=CC=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N 1 2.804 2 3 -12.5672920630806 703709 C1CCN(C1)C(=O)COC2=C(C3=CC=CC=C3C=C2)Br 1 3.197 1 2 -2.48012653430934 703705 COC1=C(C=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC)OC 1 3.6 1 5 -5.83868428263084 703704 COC(=O)C1=CN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl 1 4.297 1 3 0.18687171385206 703700 CC1=CC(=NN1C(=O)CNC2=C(C(=CC=C2)Cl)C)C 1 3.167 3 1 -7.17274111743859 703694 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=NN2C 1 1.76 3 3 0 -13.9453081789625 703693 CC1=CC(=NN1C(=O)CNC2=CC=CC=C2Cl)C 1 2.681 3 1 -8.51861967912428 703690 C1CCC(=CC1)CCNC(=S)NC2=CC=CC=C2 1 4.839 2 0 -11.0882274504008 703686 CC1=C(C(=NN1C)C)NC(=O)C2=CC=C(C=C2)Cl 1 2.357 3 1 -2.07513082172152 703676 CC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=N 1 3.185 2 2 -6.18572433423794 703667 CC1=CC(=O)N(C(=C1)C)N=CC2=CC=C(C=C2)OC 1 2.471 2 2 -3.35033223166731 703665 CC1=CC(=O)N(C(=C1)C)N=CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.381 3 3 -5.27845767979316 703663 CC1=CC(=NN1C(=O)CNC2=CC=CC=C2OC)C 1 2 3 2 0 -10.5203621504098 703660 CC1=CC(=C(C=C1)NC(=O)CCC(=O)N2C(=CC(=N2)C)C)C 1 2.664 3 2 -15.7157371374041 703658 COC1=CC=C(C=C1)CC(=O)NCCC2=CCCCC2 1 3.384 1 2 -11.9287529018717 703616 COC1=C(C=C(C=C1)/C=C/C2=CC=NC=C2)OC 1 2.632 1 2 -1.03686611526336 703605 C1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 3.202 2 1 -2.69114812576823 703600 CCC1CCC2(CC1)N(C(=O)CS2)C3=CC=CC=C3 1 3.654 1 1 -4.93847708033391 703597 CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NC=CC(=C1)C 1 3.093 3 1 -7.41868719705419 703596 CCC1(NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)CC 1 3.837 2 2 -4.94660774427886 703563 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)Cl 1 2.943 2 3 -8.1997617473263 703513 C1CN\2CCC1C(=O)/C2=C/C3=CC4=C(C=C3)OCO4 1 1.873 1 3 0 -1.78319937351361 703512 C1CN\2CCC1C(=O)/C2=C\C3=CC4=C(C=C3)OCO4 1 1.873 1 3 0 -1.78319937351361 703458 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)F 1 2.398 2 3 -17.3172101696541 703457 C1=CC=NC(=C1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] 1 2.861 2 4 -5.39791894538124 703442 CC1=C(C(=NN1C(=O)C2=CC=CO2)C)SC3=CC=C(C=C3)[N+](=O)[O-] 1 3.764 3 4 0 -1.58640591798929 703440 C1=CC(=CC=C1NC(=O)C2=CC=NC=C2)OCC(C(F)F)(F)F 1 2.452 2 2 -8.34297219709593 703426 CC1=C(C(=NN1C(=O)C2=CC=CO2)C)SC3=CC=CC=C3 1 3.87 2 2 -0.512567582472955 703423 CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CO2 1 3.155 3 2 -6.34730800562125 703420 CN1C(=O)C(=C(N=C1SC)C2=CC=CC=C2)C#N 1 2.247 3 1 -0.947288508692713 703413 C1CC2=C(C=C(N2C3=CC=CC=C3C(=O)O)C4=CC=CC=C4)C(=O)C1 1 4.537 1 3 -3.78614981155304 703379 CC1=NC(=NN1)SCC2=CC=CC=C2 1 2.497 3 0 -5.07769884615196 703353 CCSC1=NC(=O)C(=NN1)C2=C(C=CC(=C2)Br)N 1 2.576 4 1 -7.78368297036915 703314 C=CCN1C(=NNC1=S)CSC2=NC3=CC=CC=C3S2 1 3.737 4 0 -11.1540928757402 703304 C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3 1 3.331 0 4 -10.1170205685652 703294 CN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)F 1 1.53 4 1 0 -17.7126880418273 703254 COC1=CC=C(C=C1)NC(=O)C2=C(C=NN2)[N+](=O)[O-] 1 1.228 4 4 0 -6.70604820979499 703220 C1=CC2=CN=C(N2C=C1)C3=C(C=C(C=C3)Cl)Cl 1 3.846 2 0 5.06693083460835 703197 CC1=C(C(=NN1)C)SC2=CC=CC=C2N 1 2.073 3 0 1.79582196525887 703165 C1CC2=CC=CC3=C2N(C1)C(=C(C3=O)C4=CC=CC=C4)O 1 4.015 1 2 -4.69893237272333e-002 703140 CC1=NC2=C(N1C)C=CC(=C2)NCC3=C(C=CC(=C3)OC)OC 1 3.171 3 2 1.37022279820238 703136 CN1CNC(=NC1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.597 5 4 0 -9.04277159808971 703128 CC1=C(C=C(O1)C(C)(C)C)C(=O)NC2=CC=C(C=C2)OC 1 3.539 1 3 -4.5223254275603 703125 C1N=C(N(CN1CC2=CC=CO2)CC3=CC=CO3)N[N+](=O)[O-] 1 3.29 5 4 0 -6.18655304627685 703119 CCOC1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3 1 0.3 5 3 0 -1.27296721856929 703114 CCC(C)(C)C1CCC2(CC1)NC(=S)N(N2)C3=CC=CC=C3 1 5.322 3 0 -0.105457519232154 703111 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 2.833 2 2 -3.95834049186849 703109 CCC1=C(NC2=NC3=CC=CC=C3N2C1=O)C 1 2.464 3 1 -10.1971469515065 703108 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=CC=C3C4=CC=CC=C4 1 3.78 3 1 -0.648317457712234 703106 CCCC1=C(NC2=NC3=CC=CC=C3N2C1=O)C 1 2.92 3 1 -9.87298900189379 703093 CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCC(C)C 1 4.047 3 1 -8.26999710945884 703078 CC1=NO[N+](=C1COC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N)OC)[O-] 1 -1.699 4 5 0 -12.2563884991945 703075 CC1=NO[N+](=C1COC2=CC=C(C=C2)/C=C(\C#N)/C(=O)N)[O-] 1 -1.682 4 4 0 -8.21395191423632 703074 C1COCCN1CCNC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4 1 2.804 4 1 -1.28155772862817 703072 C1=CC=C(C=C1)C(=CC(=O)C(=O)NC2=NC=CS2)O 1 1.418 2 3 0 -3.85936096171869 703062 CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCN(C)C)C#N 1 4.099 5 0 -9.4364626230012 703060 C1=CC(=CC=C1NC(=O)C2=C(C=NN2)[N+](=O)[O-])OC(F)(F)F 1 3.364 4 4 0 -3.60167935310463 703052 C1CCN(CC1)C2=C3CCCCC3=C4C(=C(SC4=N2)C#N)N 1 4.295 4 0 -2.00483847053407 703041 C1=CC=C(C=C1)NN=C(C#N)C(=S)N 1 1.796 4 0 0 0.934876238467475 703040 CC(=O)NC1=NN2C(=CC(=NC2=N1)C3=CC=CC=C3)C4=CC=CC=C4 1 3.775 5 1 -3.21872427400237 703030 COC(=O)/C=C\1/C(=O)C=C(O1)C2=CC=CC=C2 1 1.636 0 4 0 -7.65562843309514e-002 703016 C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C3=CC=CO3)N 1 1.868 5 2 0 -1.02560266062672 703014 C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C3=CC=C(C=C3)Cl)N 1 3.137 5 1 -1.20621417019225e-002 703007 C1=CC=C(C=C1)C(=O)NC2=NN(C(=N2)N)C3=CC=CC=C3 1 2.473 5 1 -2.92273986184633 702997 CC1=CC=C(C=C1)C(=O)/C=C\2/C(=O)NCCN2 1 0.931 2 2 0 -5.78332979517737 702981 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.773 3 2 -5.87888533421825 702952 C1=CC=C(C=C1)C2=CN3C(=N2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5 1 5.558 4 0 0.260332391030935 702951 CCOC(=O)CC1=CSC(=N1)NC(=O)CCC2=CC=CC=C2 1 2.77 2 3 -13.7699797447272 702939 CCOC(=O)CC1=CSC(=N1)NC(=O)CC2=CC=CC=C2 1 2.314 2 3 -11.1220628820753 702937 CCOC1=CC=CC=C1NC2=C3C=CC(=CC3=NC=C2)Cl 1 4.563 2 1 0.67839210647612 702932 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC=CS2 1 2.232 2 3 -11.1800451770539 702931 COC(=O)C1=CN(C2=CC=CC=C21)C(=O)C3=CC=CS3 1 3.586 1 3 -3.77751566384623 702926 COC1=CC(=CC(=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC)OC 1 3.6 1 5 -4.51567799811576 702922 C1=CC(=C(C=C1Cl)Cl)C2=NC(=NO2)C3=CC=NC=C3 1 3.323 3 1 10.1292777506948 702908 C1CN(CC2=CC=CC=C21)C3=NC(=CS3)C4=CC=C(C=C4)Cl 1 4.638 2 0 3.73690588404928 702897 CC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=NC=NN3 1 3.252 4 1 -12.5073680464738 702896 CC1=CC2=C(C=C1)C(=CC(N2C(=O)CSC3=NC=CN3C)(C)C)C 1 3.585 3 1 -7.77839649720609 702879 C1=CC(=CC=C1N2C(=CC(=O)NC2=O)N)Cl 1 1.215 3 2 0 -4.08560228030585 702857 C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)C=O 1 3.489 0 3 -6.88892952008788 702855 C1=CC(=CC=C1C2=NC3=C(N2)C=NC=C3)F 1 2.325 3 0 6.24636017311963 702854 C1=CC=C(C=C1)CN2C(=NNC2=S)COC3=CC=CC=C3 1 3.52 3 1 -4.15500891491 702852 C1=CC=NC(=C1)CSC2=NC=NN2 1 1.321 4 0 0 -7.57500306770897 702841 CC1=NC2=C(C=C1)C(=NO)CC(C2)(C)C 1 2.015 2 1 -2.87728985704513 702832 CCOC(=O)C1=CN=C2C(=CC=CC2=C1NCCN3CCOCC3)C 1 2.341 3 3 -6.68492651975134 702831 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC=CC=N3 1 1.064 4 2 0 -9.02708929107799 702830 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC=CC=C3 1 1.676 3 2 0 -9.41697405992365 702828 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC=C(C=C3)OC 1 1.659 3 3 0 -9.50487313368204 702823 CC(C)(CC1=CC=C(C=C1)O)NC(=O)SCC2=CC=CC=C2 1 4.403 1 2 -5.39265011030105 702816 CCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3 1 2.906 0 5 -7.62818657526208 702774 CCC1=CC2=C(C=C1)NC(=C(C2=O)CN3CCCCCC3)C 1 4.076 2 1 -3.85920346213693 702761 CC1(CC(=S)NC2=CC=CC=C2S1)C 1 3.38 1 0 -2.80702707835559 702749 CCN(CC1=CC=CC=C1)CC2=C(NC3=C(C2=O)C=CC(=C3C)C)C 1 4.665 2 1 -0.738580684865025 702748 COC(=O)/C(=C(\C(F)(F)F)/NC1=CC(=C(C=C1)F)Cl)/C#N 1 3.375 2 2 -6.21789924078129 702735 CC1=C(C2=C(C=C1)C(=O)C(=C(N2)C)CN(CC=C)CC=C)C 1 3.966 2 1 -8.47930815512346 702724 CN(C)C1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)Br 1 3.75 4 0 6.25979752550212 702722 CCOC1=CC=CC=C1NC2=NC=NC3=C2C=C(C=C3)Br 1 3.921 3 1 6.07014301178931 702695 C1=C(OC(=C1)[N+](=O)[O-])/C=C/C(=O)O 1 1.341 1 5 0 1.62017073652823 702630 CCOC(=O)C1=CN=C2C(=CC=CC2=C1NCC3=CC=CO3)C 1 3.28 2 3 -4.5482301681032 702628 CC1=CC=C(C=C1)NC2=NC(=O)C(=NN2)C 1 1.409 4 1 0 -6.07940721825071 702620 C1COCCN1C(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.498 2 5 0 -4.74070315100912 702616 CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)Br)O)C 1 3.647 0 2 -1.05076908726354 702613 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)O 1 2.075 3 4 0 -5.49984207281923 702582 CCOC(=O)/C=C\1/C2=CC(=C(C=C2CC3(N1)CCCCC3)OC)OC 1 3.493 1 4 -6.81945746237553 702577 CC1=CC(=CC(=C1)NC(=S)NCCC2=CNC3=CC=CC=C32)C 1 5.682 3 0 -11.2934743738666 702576 CN(C)/C=C(\C#N)/C1=NC2=CC=CC=C2N1 1 1.6 4 0 0 0.370107708774576 702574 CC1=CC(=C(C=C1)C)NC(=S)NCCC2=CNC3=CC=CC=C32 1 5.682 3 0 -11.6789122192625 702559 CN(C1=NS(=O)(=O)C2=CC=CC=C21)N=CC3=CN=CC=C3 1 1.32 4 2 0 -3.16981722979894 702548 CCOC(=O)C1=CSC(=N1)NC(=O)C 1 0.58 2 3 0 -8.03647907801737 702542 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CS2)C(=O)O 1 1.454 2 4 0 -10.0323362178444 702539 CC1=CC=CC=C1C(=O)N2CCCC3=CC=CC=C32 1 3.837 1 1 -8.35087226398019 702534 COC1=CC=C(C=C1)C=NNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.248 3 3 -4.6867199083518 702521 CC(=NOC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C 1 2.969 1 2 4.1193498944657 702520 CC1=CC(=NN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C 1 2.967 2 2 -7.76147230097626 702518 CCCC1=C(C2=C(C(=CC=C2)Br)N=C1C)Cl 1 5.11 1 0 1.06655847028167 702495 CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.083 2 1 -3.38187330118491 702493 CC1=CC=CC=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 3.218 2 1 -5.05809081557577 702461 C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)OC(F)F 1 1.999 1 4 0 -2.17354169275477 702440 C1=CC=C(C=C1)/[N+](=C/C2=CC=C(C=C2)OC(F)F)/[O-] 1 3.303 1 2 1.7765177781248 702433 CC1=CC=CC=C1/[N+](=C/C2=CC=NC=C2)/[O-] 1 1.833 2 1 0 -0.187544236320947 702421 CC1=CC(=O)OC2=C1C=CC3=C2C(=NN)CO3 1 1.318 2 3 0 -2.93656291391318 702419 CCCC1=CC=C(C=C1)OC2=CC(=NC(=N2)N)Cl 1 4.197 3 1 1.57808762358422 702389 CC(C)N1C(=O)CCN(C2=CC=CC=C21)C(=O)C 1 1.143 2 2 0 -9.2912147601158 702340 CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=CO3)C 1 3.607 2 2 -0.534927234541172 702337 C1CCC(=C(C#N)C(=O)NC2=CC=CC=C2)CC1 1 3.332 2 1 -5.07605048102549 702333 CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=S)N3)C)C 1 3.055 2 1 -7.62304349710828 702328 CN1C=NN=C1SCC(=O)C2=CC3=C(CCCC3)C=C2 1 3.252 3 1 -15.9187003554703 702277 CC1=NC(=CN1CC=C)[N+](=O)[O-] 1 1.234 3 2 0 -6.32154878812481 702288 COC1=NC(=NC(=C1)NC(=O)COC2=CC=C(C=C2)F)OC 1 2.443 3 4 0 -13.2285668138498 702289 C1=CC(=CC=C1CC2=NN=C(S2)N)Cl 1 2.181 3 0 0.284855690631858 702313 CC1=NC2=C(C=C1)C(=C(S2)C#N)N 1 1.446 3 0 0 -0.832398560025464 702306 CCC1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)N2C(=O)C 1 1.669 2 3 0 -7.41524008896931 702302 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCCCC3 1 0.959 5 3 0 -18.4518536737753 702291 CN1C2=C(N=C1SCC3=CC=CC=N3)N(C(=O)N(C2=O)C)C 1 1.631 5 2 0 -12.8833065207435 702290 CC1CCC2(CC1)NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 4.189 2 1 -5.0155708374413 702265 CC1=CC=C(C=C1)C2=C(SC(=N2)N)C 1 2.659 2 0 5.95758827801697 702237 CC1=C(C(=NN1CC(=O)NCC(C)C)[N+](=O)[O-])Cl 1 1.974 4 3 0 -15.8470488489788 702232 CC1=CC(=NN1C2=NN3C=NN=C3C=C2)C 1 1.351 6 0 0 -6.97582378910359 702228 C1=CC=C2C(=C1)C(=O)N=C(N2)C3=CC=CS3 1 2.447 2 1 -6.6659307638695 702220 CCC(=O)NC1=CC(=CC(=C1)OC)OC 1 1.584 1 3 0 -7.05812077469273 702210 CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C 1 2.793 2 3 -9.95626690981017 702207 COC1=C(C=C(C=C1)[N+](=O)[O-])N2C=NN=N2 1 0.594 5 3 0 -14.0936957968492 702202 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C(=C2)C)O)C 1 3.534 1 3 -0.796047823688469 702189 C1=CC=C2C(=C1)C(=O)N=C(N2)C(F)(F)F 1 1.917 2 1 0 -2.92351893292633 702182 CC1=CC(=NO1)NC=C2C(=O)CCCC2=O 1 0.232 2 3 0 -12.8427159627149 702175 CC1=CC=C(C=C1)CN2C(=NC=C2[N+](=O)[O-])C 1 2.272 3 2 -7.51368504838099 702168 C1CCC2=C(CC1)N=C(C3=C2C4=CC=CC=C4OC3=O)N 1 3.568 2 2 -3.22402004284434 702159 CC1=CC(=C(C=C1)OC(=O)C)N2N=C3C=CC=CC3=N2 1 3.426 3 2 -3.13935778497175 702153 CC1=CC=C(C=C1)C2=NNC(=S)N2C 1 2.588 3 0 -1.9097347218453 702150 CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2C 1 3.502 3 0 0.668399427266003 702148 C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CC=C3Cl 1 2.994 2 2 -11.1873108350137 702141 CC(C)C1=CC=C(C=C1)/C=C/C(=O)NNC(=O)C2=CN=CC=C2 1 2.382 3 2 -7.02392311923344 702136 C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3 1 2.436 5 1 -21.0175203672373 702132 C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.997 2 6 0 -7.58015894576229 702131 COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=C(C=C3)Cl)C#N 1 4.282 3 2 3.94832261978966 702124 CC1=NC2=CC=CC=C2C(=C1)NC3=CC=C(C=C3)C(=O)C 1 3.588 2 1 9.98466825721503e-002 702119 COC1=CC(=C(C=C1)OC)/C=C\2/C(=O)N=C(S2)N3CCCCC3 1 3.293 2 3 -5.80425211622946 702108 C1COCCN1C2=C(C(=O)N3C=CC=CC3=N2)C=O 1 -0.191 3 3 0 -11.7877202123434 702101 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NN)C 1 1.507 3 1 0 -6.40882621019364 702091 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC3=CC=CC=N3 1 3.102 3 2 -16.3676417402965 702084 CC1=CC(=NO1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3 1 1.575 6 2 0 -29.7513499614826 702082 CC1=C(N=C(S1)NC(=O)CSC2=NCCS2)C3=CC=CC=C3 1 3.585 3 1 -14.0145813766898 702070 C1=CC=C(C=C1)C2=NN(C=C2C3=NN=C(O3)N)C4=CC=CC=C4 1 3.097 5 1 8.60744394402651 702059 CCOC(=O)C1=CC=C(C=C1)N2C(=CC=C2C)C 1 3.201 1 2 -6.80728221610893 702057 CN(C)N=NC1=CC=C(C=C1)S(=O)(=O)NC(=O)CC2=CC=CC=C2 1 2.608 4 3 0 -4.90642237185376 702044 CCC(=O)NC1=NN=C(S1)C(C)(C)C 1 1.898 3 1 0 -7.4415318210847 702038 C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NCC5=CN=CC=C5)C#N 1 4.052 5 0 -12.9831436516711 702036 C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)N5C=NC6=CC=CC=C65)C#N 1 5.108 5 0 -9.15249781157197 702034 CC1=CC=CC=C1COC2=CC3=C(C=C2)OC(=C3C(=O)O)C 1 3.962 0 4 -4.14912829465154 702027 CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC(=CC=C3)Cl)C(=O)O 1 4.14 0 4 -0.693000319861447 702019 CC1=C(C2=C(O1)C=CC(=C2)OCC3=C(C=CC=C3Cl)F)C(=O)O 1 4.345 0 4 -4.50309763503638 702014 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)C 1 2.765 2 3 -10.672675191471 702008 CC1=CC2=C(C=C1)NC3=C2CCNC3=O 1 2.183 2 1 -2.41786452185496e-002 701998 CC(=O)NC1=CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 3.912 3 1 0.43142031131496 701989 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(OC(=O)C=C2C)C)[N+](=O)[O-] 1 2.735 1 7 0 -18.0800053492548 701960 CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)OC(C)C 1 4.236 0 5 -15.7800197116827 701957 CCOC1=CC(=CC2=C1C3=C(CCCC3)C(=O)O2)C 1 4.152 0 3 -9.12982906176949 701941 CN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3[N+](=O)[O-])Cl 1 3.2 2 3 -0.42545073263058 701940 CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OCC(=O)N(C)C 1 3.068 1 4 -9.89546243006476 701939 CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])Cl 1 1.569 2 3 0 -2.48030992692378 701914 CC1=NC(=C(C(=C1)COC)C#N)N2CCCCC2 1 2.263 3 1 -4.72945862352622 701905 C1=CC=C(C(=C1)C2=NC(=NC3=C2C=C(C=C3)Br)NN)Cl 1 3.907 4 0 13.2053661542613 701901 C1CCC(CC1)C(=O)N2CCC3=CC=CC=C32 1 3.357 1 1 -8.60230608892357 701842 C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC3=C2N=CC=C3 1 3.916 1 2 -5.78087064192491 701830 CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=C(C=C2)Cl)C 1 4.875 2 2 -13.1365969778352 701825 CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)O 1 1.472 4 2 0 -1.96330120425259 701813 COC(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F 1 2.607 2 2 -4.81071223058978 701783 C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)COC3=CC=C(C=C3)Cl 1 2.549 3 3 -6.39812223375812 701779 CN(C1=CC=CC=C1)C(=O)OC2=CC=CC3=C2N=CC=C3 1 3.562 2 2 -6.17269966971413 701775 CC1=C(C(=O)OC2=C3CCCN4C3=C(CCC4)C=C12)C=O 1 3.182 1 3 -5.89493470086627 701764 CC1=C(C(=NN1C)C)SC2=CC=C(C=C2)Br 1 3.774 2 0 4.33377693085599 701759 CC1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.302 2 2 -16.8360210376992 701757 C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)O 1 2.303 1 2 -1.06297372680747 701750 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)OC 1 0.667 3 4 0 -16.8159464135515 701727 CC1=CC(=CC=C1)NC(=S)N 1 2.566 2 0 7.69251000346125e-002 701718 CC1=NC2=C(C=NN2C(=C1)C(F)(F)F)C3=CC=CC=C3 1 3.274 3 0 -5.71347522892045 701705 CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)OCC(=O)N)C(=O)C 1 2.628 2 3 -6.66939969695153 701694 C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=C(C4=CC=CC=C43)C=O 1 2.493 2 4 -9.00985213283415 701684 COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2CC=C 1 3.366 3 1 -5.71013237759013 701683 CC1(NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br)C 1 3.295 2 1 -3.41393201699761 701680 CC1=CC(=NC(=N1)NC2=NC(=O)C3=CC=CC=C3S2)C 1 2.914 4 1 -5.0871278863067 701679 COC1=C(C=C(C=C1)C2=NNC(=S)N2CC3=CC=CC=C3)OC 1 3.652 3 2 -4.89407105720041 701674 CCN1C(=NNC1=S)C2=C(C=CC(=C2)Cl)OC 1 3.098 3 1 -1.34149835541126 701673 CN1C(=NNC1=S)C2=C(C=CC(=C2)Cl)OC 1 2.749 3 1 -1.63918468961043 701671 COC1=CC(=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)OC 1 3.345 0 4 -3.15708015332768 701660 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(=O)C 1 3.43 0 4 -1.20492008496202 701655 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(=O)N(C)C 1 3.113 1 4 -2.57045802018223 701653 CC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCCC3 1 3.355 2 1 -4.90637687999819 701648 CC1=C(SC=C1)/C=C\2/C(=O)N=C(S2)N3CCOCC3 1 2.535 2 2 -7.68418315095125 701646 CC1=C(SC=C1)/C=C/2\C(=O)N=C(S2)N3CCOCC3 1 2.535 2 2 -7.68418315095125 701606 CCC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCCC3 1 3.812 2 1 -5.14581501577727 701556 CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=CC(=N2)C)C 1 3.335 2 2 -13.4911333533912 701527 CC1=CC(=C(O1)C)C(=O)NC2=CC3=C(C=C2)OCCO3 1 1.795 1 4 0 -10.545864481375 701502 C=CCN1C(=NNC1=S)CC2=CC=CC3=CC=CC=C32 1 3.661 3 0 -7.18566341292283 701458 CC1=CC=C(C=C1)S(=O)(=O)N(C#N)C2=NC(=CC(=N2)C)C 1 2.249 4 2 -4.94944727889906 701437 CN(C)C(=O)COC1=CC2=C(C=C1)C=CC(=O)O2 1 1.149 1 4 0 -8.72847211820251 701423 C1=CC=C(C=C1)CN2C3=C(C=C(C2=N)C#N)C(=O)N4C=CC=CC4=N3 1 1.508 5 1 0 -16.8448427242988 701416 CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CCOCC3 1 1.248 3 3 0 -10.3836690452872 701400 CN1C=NN=C1SCC(=O)NC2=CC=CC=C2F 1 1.325 4 1 0 -19.2776068269987 701383 CC1=NC2=CC=CC=C2C3=C1C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O 1 2.537 2 4 -6.51230403394487 701367 CC(=O)N(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CS2 1 2.077 1 4 -5.77136193071099 701365 CC(C)C(=O)N(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CS2 1 3.207 1 4 -4.98137219840729 701332 CCOC(=O)N1CCN(CC1)C(=O)NC2CCCCC2 1 1.642 3 3 0 -10.1854450110886 701326 C1COC(O1)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)F 1 2.743 1 3 -5.2082251314769 701325 C1CCN(CC1)C2=CC(=NC=N2)NC(=O)C3=CC=C(C=C3)F 1 3.199 4 1 -1.73983924093319 701324 C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)F)OC(F)F 1 3.625 1 2 -5.17737794827115 701322 C1COCCN1C2=CC(=NC=N2)NC(=O)C3=CC=C(C=C3)F 1 1.969 4 2 0 -3.32892536364596 701318 C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=CC=CC=N4 1 1.829 5 1 0 -5.3594063836127 701317 C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=NC=CC=N4 1 1.182 6 1 0 -5.33569973784932 701312 CC1=NC2=C(C=NN2CCC3=CC=CC=C3)C(=N1)NC(C)C 1 2.562 5 0 -5.61163009757057 701306 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2C)OC)C 1 2.209 2 3 -8.36568816548846 701273 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CS2 1 2.24 2 3 -18.43257455995 701264 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 0.268 3 4 0 -22.3248992409321 701261 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=N2 1 1.707 3 3 0 -16.1592658898138 701256 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2 1 0.723 3 3 0 -12.2627907845203 701253 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=N2 1 1.009 3 3 0 -11.7173767389819 701247 CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=N2 1 0.803 3 3 0 -13.3618683845593 701244 CC(=O)C1=CC(=CC=C1)NC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3 1 4.045 2 2 -4.76445007022285 701243 C1CCN(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 0.826 3 3 0 -18.4102329981365 701241 C1CCN(C1)C(=O)OC2=CC=C(C=C2)NC(=O)N3CCOCC3 1 1.27 3 4 0 -10.0205482013969 701237 CC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)N3CCCCC3)C 1 2.48 3 2 -5.09849188990583 701235 C1CN(CCN1C2=CC=CC=C2)C(=O)NC(=O)C3=CC=C(C=C3)Cl 1 3.317 3 2 -0.14068908949526 701229 C1CN(CCC12OCCO2)C(=O)NC(=O)C3=CC=C(C=C3)Cl 1 1.753 2 4 0 -6.42838373655787 701225 CC1CCN(CC1)C(=O)NC(=O)C2=CC=C(C=C2)Cl 1 2.857 2 2 -6.83847302667704 701197 C1CCCN(CC1)C(=O)NC(=O)C2=CC=CC=C2 1 2.397 2 2 -6.76700968086878 701195 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC(=O)C3=CC=CC=C3 1 2.637 3 3 -2.90999836159333 701191 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)NC(=O)C3=CC=CC=C3 1 3.317 3 2 1.80816877056118 701190 CC1=C(C=C(C=C1)NC(=O)NC(=O)C2=CC=CC=C2)F 1 3.086 2 2 -1.85844804733882 701189 C1COCCN1C2=CC(=NC=N2)NC(=O)NC3=CC=CC4=CC=CC=C43 1 2.58 5 2 0 -4.69664957398843 701172 C1COCCN1CC2=CC(=C(C3=C2C=CC=N3)O)Cl 1 2.2 2 2 5.85718043370842 701155 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.859 4 4 0 -14.6353774547307 701150 CC1=C(C=CC(=C1)S(=O)(=O)NCC(=O)O)F 1 0.914 1 4 0 -9.68346939312391 701131 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3)N(C1=O)C 1 1.805 3 3 0 -13.01722348101 701126 COC1=CC=C(C=C1)C2=CSC(=NC3=CC=CC=C3)N2CCO 1 3.031 2 2 1.31794049588825 701119 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC3=CC=CC=C32 1 3.193 1 4 -2.45157504407663 701118 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC(=O)O 1 0.189 1 6 0 -11.0247796518061 701111 C1CC2=CC=CC3=C(C=CC1=C23)NS(=O)(=O)C4=CC=C(C=C4)F 1 4.032 1 2 0.941587180868203 701109 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)F)N(C1=O)C 1 1.797 3 3 0 -8.30818910787383 701100 CC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC 1 2.545 2 2 -14.6932362611511 701085 C1=CC=C(C=C1)C(=O)NCSC2=NC=NC=C2 1 1.971 3 1 0 -7.27578399596745 701070 C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)C4=CC=CO4 1 3.424 2 2 2.51961356860875 701068 C1COCCN1C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4 1 2.854 2 2 -2.91794900084975 701067 C1=CC=C2C(=C1)C(=CS2(=O)=O)SC3=NC4=CC=CC=C4S3 1 3.492 1 2 -2.37268373354427 701066 C=CCS(=O)(=O)C1=NC2=CC=CC=C2S1 1 2.598 1 2 -6.48832094298921 701063 COC1=C(C=C(C=C1)Cl)C2=NNC(=S)O2 1 3.191 2 2 -2.846981873029 701044 CC1=CC(=CC=C1)NC(=O)/C(=C/C2=CC(=C(C=C2C)OC)C(C)C)/C#N 1 5.071 2 2 -8.25235551137801 701039 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)/C=C/C3=CC=CO3 1 3.421 2 2 1.36663554617701e-002 701031 C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)O 1 3.996 2 2 -6.46557029950729 701026 C1=CC=C(C=C1)NC(=S)NN=CC2=CC=CC=C2Cl 1 4.75 3 0 -3.66552773338065 701019 CC1=CC(=NC(=C1C(=O)NCC2=CC=C(C=C2)Cl)Cl)Cl 1 4.368 2 1 -8.03056537209508 701015 C1=CC=C(C=C1)C2=CSC(=N2)C3=CN=CC=C3 1 3.006 2 0 3.95822122346734 701011 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)Cl 1 4.43 2 1 -7.26938343422706 701008 C1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CC=CO3)C#N 1 2.658 3 2 -1.14359946113662 701007 CNC1=C(N=C(O1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.262 2 3 -13.9377934326396 701006 CC1=CN=C(C=C1)NC(=O)NC2=CC=C(C=C2)F 1 2.603 3 1 -3.85519143544711 701004 CN(C)C1=C(N=C(O1)C(=O)N(C)C)C#N 1 0.142 4 2 0 -6.26826150058558 700996 C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)C4=CC=CC(=C4)C(=O)O)N)C#N 1 2.884 5 2 0 -12.8670475488271 700995 COC1=CC=CC=C1C(=O)NNC(=S)NC2=CC=CC=C2 1 3.257 3 2 -9.46300706308155 700989 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=O 1 3.968 2 1 11.6601424082605 700979 C1=CC=C(C=C1)C2=NN(C=C2C#N)C3=CC=CC=C3 1 3.882 3 0 8.86207549594011 700977 C1=CC=C(C=C1)C2=NN(C=C2C=NO)C3=CC=CC=C3 1 3.83 3 1 15.019470636868 700976 C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC=CC=C2 1 3.495 2 1 -10.9998702884247 700974 CC(C)(C)C(=O)NC(=S)NC1=CC=CC=N1 1 3.036 3 1 -11.4201234653445 700972 CC1=CC=C(C=C1)NC2=C(C(=O)N3C=C(C=CC3=N2)C)C=O 1 2.372 3 2 -7.42197879450331 700961 C1CNC2=C(C1=O)C=CC=C2Cl 1 1.977 1 1 0 -2.27400379725047 700959 CC1=C(N2C=CC=CC2=N1)C(=O)NN 1 -0.209 4 1 0 -3.88870927824357 700956 CC1=CC(=O)N=C(N1)N2C(=C(C=N2)C#N)N 1 -9.1e-002 6 1 0 -11.7951345318501 700946 C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=CO4 1 3.166 3 2 -12.7147102946125 700944 C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=NC=C4 1 2.62 4 1 -11.9571772912384 700941 CC1=CC(=NN1C2=C3C4=C(CCCC4)SC3=NC=N2)C 1 3.689 4 0 -10.7595135049152 700938 CC1=CC(=NO1)NC(=O)CSC2=CC=CC=C2 1 2.146 2 2 -14.8155094342184 700937 CC1=CC(=NC2=C1C=CC(=C2)OC)N3CCOCC3 1 2.255 2 2 2.29596602558042 700922 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NN=C(S3)C 1 1.895 4 2 0 -15.5834087323606 700909 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C 1 1.747 3 2 0 -5.68376335702423 700899 CC1=CN(C(=N1)C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.282 2 2 -2.16493482579171 700880 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CN=CC=C3 1 2.017 3 2 -13.1180912287504 700876 CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4C5=CC=CC=C5N=N4 1 4.377 5 0 -9.18812533541602 700868 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCCN3CCOCC3 1 1.411 3 3 0 -12.764935856664 700866 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)Cl 1 3.214 3 2 -6.39515484883709 700862 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC=CC=N3 1 2.232 3 2 -12.8709741922765 700860 CCN1CCN(CC1)C(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 2.096 3 2 -7.29041926047509 700859 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.589 1 4 -3.38566584199907 700857 COCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 1 -8.4e-002 4 4 0 -12.5823766707726 700853 C1=CC=C2C(=C1)C(=O)NN(C2=O)C3=CC=CC=N3 1 1.212 3 2 0 -1.66600847199651 700833 C1=CC2=C(C(=C(C=C2Cl)Cl)OC(=O)C3=CC=CS3)N=C1 1 4.73 1 2 -2.5049491049419 700822 CCOC(=O)C(=NNC1=CC2=C(C=C1)OCO2)C(=O)C 1 1.749 2 5 0 -3.1523554503996 700805 C1CC2=C(C1)NC3=C2C=C(C=C3)Br 1 3.798 1 0 7.57160775613465 700804 CC1=CC(=NC2=C1C(=C(S2)C#N)N)COC 1 1.669 3 1 0 -0.234277965004834 700801 CC1=NC(=S)N(N1)C2=CC=CC=C2 1 2.528 3 0 -0.536184047323092 700796 CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O 1 2.713 2 3 -5.81622162019866 700795 C1=CC=C(C=C1)C2=NC(=S)NN=C2C3=CC=CC=C3 1 4.238 3 0 -4.90833803230094 700794 CN1C(=C(C=N1)Cl)C(=O)NC2=CN=CC=C2 1 1.069 4 1 0 -4.30588699438499 700784 C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O 1 3.457 2 4 -2.29926889919711 700756 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC=C4)O 1 4.704 3 1 15.2776346202612 700755 C1CSC2=NC(=CN21)C3=CC=C(C=C3)O 1 2.53 2 1 5.77452609025139 700723 C1=CC=C(C=C1)CNC(=S)NC2=NC=CS2 1 2.62 3 0 -8.87566491814893 700720 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)O 1 4.704 3 1 11.7891228638663 700717 CC1=NNC(=NC1=O)NC2=C(C=CC(=C2)OC)OC 1 0.89 4 3 0 -7.69229033860769 700710 CCC1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)Cl 1 3.387 4 0 -3.90398600527521 700702 CC(=O)CSC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.149 1 2 1.08950077072355 700683 C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C(C2=O)C(=O)C=C(O4)O 1 2.687 1 4 -1.73052804419951 700673 C1=CC(=CC(=C1)N)/C=C/C(=O)O 1 1.18 1 2 0 2.12362757501962 700657 CCC1=C(C2=C(N(N=C2C)C3=CC=CC=C3)OC1=O)C 1 3.882 2 2 -2.29978655849494 700656 CCP(=O)(CC)CCC1=CC=CC=C1O 1 2.608 0 2 2.10302860945355 700633 CC1=CC=CC(=C1)C(=O)NC2=C(C=NN2C3=CC=CC=C3)C(=O)N(C)C 1 2.865 4 2 -8.45788628201159 700631 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CN=CC=C3 1 2.674 3 2 -9.51436095291134 700629 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N3C=CC=C3)C 1 2.501 4 2 -6.04932991033352 700626 CN1C=CN=C1SC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 4.434 3 1 1.0690022692584 700622 C1=CC=C(C=C1)/C=C(/C2=CC=CC=C2)\C(=O)O 1 3.406 0 2 -2.74888653569458 700615 CSC1=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3 1 5.062 2 0 8.87139039921862 700611 C1=CC=C(C=C1)/C=C/2\C3=CC=CC=C3C(=O)O2 1 3.122 0 2 0.290353610335208 700610 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC(C)(C)CO 1 2.956 2 3 -13.9219245144792 700609 CC1=CC(=CC=C1)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 3.575 2 4 5.50869528155342 700602 CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)C 1 2.386 1 3 -10.552344058071 700599 C1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC=CC=C2Cl 1 4.075 1 1 -5.04378450047271 700597 C1=CC(=C(C=C1Cl)Cl)OCC2=NC(=NO2)C3=CC=NC=C3 1 3.158 3 2 5.00425514992866 700590 C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3S2 1 3.674 1 1 1.91556558576287 700581 CC1=CC(=NO1)NC(=O)CSC2=NC(=O)C(=NN2)C 1 0.326 5 3 0 -25.009672290286 700579 C1=CC=C(C=C1)C2=NOC(=N2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.039 3 3 3.68322166909848 700578 COC1=C(C=C(C=C1)C2=NC(=NO2)C3=CN=CC=C3)OC 1 1.961 3 3 0 0.871644597540869 700577 COC1=CC=CC=C1C(=O)NCC2=CC=CC=C2 1 2.605 1 2 -10.2040297439001 700573 CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC 1 2.93 1 3 -6.91909215916997 700571 CC(=O)OC(C)(C)C#CCN1CCCC1 1 1.793 1 2 0 -2.28476614237682 700569 COC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Br 1 3.674 1 2 -6.25300713908407 700567 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)OC 1 1.42 2 5 0 -9.6899311099363 700564 C1=CC=C(C(=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O)F 1 3.219 4 2 -19.5866175216465 700561 CC1=CC=CC=C1C2=NC(=NO2)C3=CC=CC=N3 1 2.909 3 1 5.76461276981317 700555 C1=CC=C(C=C1)CCN2C3=CC=CC=C3C4=NNC(=S)N=C42 1 3.899 4 0 -4.88858557316254 700553 C1CCN(CC1)C2=NC(=O)/C(=C\C3=CC4=CC=CC=C4OC3)/S2 1 3.491 2 2 -0.234766261837601 700550 COC1=CC=C(C=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O 1 2.997 4 3 0 -18.1328217545535 700541 COC1=CC=CC=C1N(CC(=O)NCC2=CC=CC=N2)S(=O)(=O)C 1 0.638 3 4 0 -21.9357850438333 700539 COC1=CC=CC=C1N(CC(=O)NC2CCCCC2)S(=O)(=O)C 1 1.848 2 4 0 -18.6732374908305 700528 COC1=CC=CC=C1N(CC(=O)NCC2=CC=CO2)S(=O)(=O)C 1 0.755 2 5 0 -21.8134993544404 700493 COC1=CC(=C(C=C1C(=O)OC)Cl)N 1 1.586 1 3 0 -3.80717090885338 700480 CC(C)C1=NN=C(S1)NC(=O)CSC2=CC=CC=C2 1 2.872 3 1 -11.8337799913109 700474 CCOC(=O)C1=C(N=C(S1)NC2=NC(=CC(=N2)OC)C)C 1 2.065 4 3 0 -14.4895614259977 700473 CCOC(=O)C1=C(N=C(S1)NC2=NC(=CC(=N2)C)C)C 1 1.825 4 2 0 -11.1635902222166 700470 C1=CC=C2C(=C1)NC(=N2)SCC3=CSC=N3 1 2.683 3 0 -1.00323353831864 700464 COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=C(C=C2)Cl 1 3.481 1 3 -7.5793562927759 700405 CCC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3S2 1 1.881 3 1 0 -2.28695820013703 700392 CC1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C 1 2.053 2 4 -18.4771185672635 700365 C1C/C(=C\C2=NC3=CC=CC=C3N2)/C(=C1)N4CCOCC4 1 2.707 3 1 -8.25875252548654e-002 700360 C1C2CC3CC1CC(C2)C3=NNC(=S)N 1 2.21 3 0 -0.319823352832653 700346 COC1=CC=CC=C1N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C 1 0.423 3 4 0 -22.1829020803072 700341 CC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 1.109 4 3 0 -1.74076013195909 700337 CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2SC)C 1 4.243 3 1 -6.58753174309507 700335 COC1=CC=CC=C1N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C 1 0.416 3 4 0 -16.4381511619293 700329 CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)Cl 1 4.431 1 1 12.8494996724806 700317 C1CC1NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.08 2 3 -19.3094811760579 700307 CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC=CS3 1 1.836 3 3 0 -13.868082642066 700285 CCOC(=O)C1=C(NC2=CC(=C(C=C21)O)Br)C 1 2.979 1 3 -0.342609287012883 700269 C1CN\2CCC1C(=O)/C2=C/C3=CN=CC=C3 1 0.954 2 1 0 -0.816086339281646 700264 C1CN\2CCC1C(=O)/C2=C\C3=CN=CC=C3 1 0.954 2 1 0 -0.816086339281646 700253 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3F)C(=O)N 1 2.992 2 2 -12.6888922582238 700249 CC1=CC=CC=C1C(=O)ON=C(C2=CC=CC=C2)C3=CC=CC=N3 1 4.553 2 2 -2.57895310782909 700248 C1CSCCN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.273 2 4 0 -13.7089256559244 700246 COC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)F 1 2.513 1 3 -3.67055620712392 700235 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCC2 1 2.488 1 3 -11.8109619879837 700232 COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCC2 1 2.139 1 3 -11.1140854378162 700226 C1CCN(C1)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)Br 1 3.064 1 2 -9.22219655700566 700222 CC1=CC(=C(C=C1C)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C)C 1 2.939 2 2 -10.6838372464482 700216 CCC1=CC=C(C=C1)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C 1 2.423 2 2 -11.816877515556 700213 COC1=CC(=C(C=C1Cl)S(=O)(=O)N2CCCC2)Cl 1 2.72 1 3 -12.1858487434826 700205 C1=CC(=CC(=C1)NCC2=CN3C=CC=NC3=N2)C(F)(F)F 1 2.735 4 0 3.4520194029676 700202 CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2CCCCC2 1 3.137 1 3 -3.30540065942173 700199 CC1=NN(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.314 2 2 -4.11276646679183 700198 CC1=C(C=CC(=C1)Cl)OCC2=CN3C=CC=NC3=N2 1 3.118 3 1 2.15484428124978 700189 CC1=C(C=CC(=C1)OCC2=CN3C=CC=NC3=N2)Cl 1 3.118 3 1 -0.673330183474258 700175 CC1=CC2=C(C=C1)N=C(N2)SCC3=CN4C=CC=NC4=N3 1 3.069 5 0 -0.219010990915156 700173 COC1=C(C=CC(=C1)S(=O)(=O)NCC2=CN=CC=C2)F 1 1.363 2 3 0 -5.37863070275363 700172 C1=CN2C=C(N=C2N=C1)CSC3=NC=NN3 1 0.827 6 0 0 -7.27699922180106 700162 C1=CC=NC(=C1)SCC2=CN3C=CC=NC3=N2 1 1.914 4 0 0 -2.71847276609292 700158 CC1=CC=C(C=C1)SCC2=CN3C=CC=NC3=N2 1 3.012 3 0 2.25752596828344 700152 CC1=CC2=C(C=C1C)N(C=N2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 3.642 2 4 -6.34103876871922 700148 CC1=CC(=C(C=C1)C)S(=O)(=O)N2C=NC3=CC=CC=C32 1 3.675 2 2 -5.43844663687751 700139 C1CN(CCN1)C(=O)N2CCOCC2 1 -1.11 3 2 0 -10.8271964930054 700132 CC1=CC=C(C=C1)N(C)C(=O)N2C=NC3=CC=CC=C32 1 3.6 3 1 -2.69189727549306 700123 CN(C)C(=O)OC1=C(C2=CC=CC=C2C=C1)Cl 1 3.372 1 2 2.02222516803925 700113 CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)N(C)C)Cl 1 1.741 3 2 0 -12.9208374477933 700102 CC(C)CCN1C2=C(N=C1SCC(=O)N)N(C(=O)N(C2=O)C)C 1 1.418 5 3 0 -21.8212674661886 700091 CC(C)CCN1C2=C(N=C1SCC(=C)C)N(C(=O)NC2=O)C 1 3.421 4 2 -15.4097251822335 700082 CC1=CC=C(C=C1)NC(=S)NCC2=CN=CC=C2 1 3.431 3 0 -9.43087084102162 700080 CC1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4 1 3.823 3 1 -5.72641762831967 700079 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=C(C=C3)F)CC=C 1 3.183 4 2 -12.3871883905452 700047 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCN3CCCCC3)CC=C 1 2.45 5 2 0 -11.2408964374542 700029 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCCCC3 1 3.372 2 2 -9.0038359961783 700026 CC1=CC(=O)OC2=C1C=C(C=C2)OC(=O)CC(C)C 1 3.488 0 4 -9.1153818024766 700015 CC1=CC=CC=C1NC(=S)N2CCOCC2 1 3.222 2 1 -13.1922202489459 700004 COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)OC)OC 1 1.984 0 5 0 -6.40501509578742 700002 CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CN=CC=C2 1 3.149 3 2 -14.7265165748475 700001 COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NCC(=O)O)OC 1 0.819 1 6 0 -12.291291075801 699995 COC1=CC=C(C=C1)NC(=S)NCC2=CN=CC=C2 1 2.928 3 1 -9.84383705016575 699991 COC1=CC=CC=C1NC(=S)NCC2=CN=CC=C2 1 2.928 3 1 -12.0555399756326 699986 COC1=CC=CC(=C1)NC(=S)NCC2=CN=CC=C2 1 2.928 3 1 -9.58452588200287 699982 C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NC3=CC=C(C=C3)O 1 2.704 1 3 -1.74898141995268 699981 C=CCN1C(=NN=C1SCC(=O)O)C2=CC=CS2 1 2.46 3 2 -17.4390448461016 699977 COC1=CC=CC(=C1)NC(=S)NCC2=CC=NC=C2 1 2.928 3 1 -7.48824670584481 699975 CC(C)OC(=O)C1=CC2=C(C(=C(C=C2)OC)OC)C(=O)S1 1 2.711 0 5 -9.31411793281152 699973 CN1CCN(CC1)N=CC2=C3C=CC=CN3C(=N2)C4=CC=CC=C4 1 2.637 5 0 3.28835756875343 699972 CCOC(=O)C1=CC2=C(C(=C(C=C2)OC)OC)C(=O)S1 1 2.333 0 5 -7.32784230201759 699971 CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)CN3CCOCC3 1 2.974 2 2 -9.13908354561112 699965 C1=CC=C(C=C1)C2=CSC(=C2)NC(=O)C3=CC=CO3 1 3.314 1 2 -0.40172469140497 699964 C1COCCN1N=CC2=C3C=CC=CN3C(=N2)C4=CC=CC=C4 1 2.367 4 1 -0.47021645308885 699931 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)O2 1 3.124 1 3 -4.49652331393967 699928 CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C 1 2.428 1 2 -2.9522826576617 699923 CC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2 1 3.592 2 1 1.9465125261699 699907 C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F 1 2.153 1 4 -6.04607842826697 699904 C1=CC=C(C(=C1)N)SC2=CC=CC=C2[N+](=O)[O-] 1 3.096 2 2 -2.50202488881036 699817 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(=O)N 1 0.215 6 3 0 -18.8529187470381 699797 CN1C2=CC=CC=C2N=C1CNC3=CC=C(C=C3)O 1 2.894 3 1 2.830029742462 699795 CCN1C2=CC=CC=C2N=C1NC(=S)NC3=CC=CC=C3 1 4.506 4 0 -4.98539415064679 699793 C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=NC(=N4)NN)N 1 2.549 5 0 5.53898491373978 699787 C1=CN=CC=C1C2=NN=C(O2)C3=CC=NC=C3 1 0.752 4 1 0 2.18389118415187 699769 COC1=CC=C(C=C1)CC2=NOC(=N2)COC3=CC=C(C=C3)Cl 1 3.663 2 3 -3.96880355445066 699762 CC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CC=N3)[N+](=O)[O-] 1 2.803 4 3 0 2.47824255657248 699759 CC1=C(C=CC=C1[N+](=O)[O-])C2=NC(=NO2)C3=CC=NC=C3 1 2.375 4 3 0 5.17370275055366 699753 C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O)N=CC=C2 1 2.133 2 4 -8.36244136790043 699751 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)Cl 1 2.611 1 4 -5.96925798037365 699750 CCOC(=O)C1=C(N(C(=O)C1)C2=CC=CC=C2)C 1 1.703 1 3 0 -8.9496508401253 699742 C1=COC(=C1)C2=NC(=NO2)C3=CC=NC=C3 1 1.389 3 2 0 6.31975784401497 699740 C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC(=N2)C3=CC=CO3 1 2.434 3 4 0 4.07188411695784 699737 COC1=CC=CC=C1OCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.858 3 5 0 -2.53556995639214 699726 CC1=CC=C(O1)/C=C\2/C(=NOC2=O)C3=CC=CC=C3 1 2.927 1 3 3.40309567662353 699725 COC1=CC(=CC=C1)OCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.858 3 5 0 -8.55937858256745e-002 699724 CC1=CC=C(O1)/C=C/2\C(=NOC2=O)C3=CC=CC=C3 1 2.927 1 3 3.40309567662353 699723 CCN1C2=CC=CC3=C2C(=CC=C3)C1=NN 1 1.81 3 0 0 3.73385117851399 699717 CN1CCN(CC1)C(=O)COC2=CC=CC(=C2)OC 1 1.02 2 3 0 -4.50981398992832 699704 CCC(=O)NC1=C(C=C(C=C1)OC)OC 1 1.584 1 3 0 -8.26484575626766 699697 CCC(=O)NC1=CC(=C(C=C1)F)Cl 1 2.487 1 1 -1.79770456063628 699696 C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=CO3 1 2.941 1 3 -0.560388010896772 699693 C1=CC2=C(C=CC(=C2N=C1)OC(=O)C3=CC=CO3)Cl 1 3.507 1 3 -1.60709917846776 699688 CC1=C2C(=C(SC2=NC(=C1CC(=O)C3=CC=CC=C3)C)C(=O)N)N 1 2.495 3 2 -6.10695293163351 699679 CC1=CC(=NC2=NC(=NN12)SCC3=CC=CC=C3)C 1 3.452 4 0 -10.2967002416622 699676 CCOC(=O)CC1=CSC(=N1)NC(=O)COC2=CC=CC(=C2)C 1 2.6 2 4 -9.72219282621642 699671 C1=CC=C(C=C1)C2=NC(N=C(N2)C3=CC=CC=C3)C4=CC=C(C=C4)O 1 4.367 3 1 2.78653385477877 699668 COC1=CC=C(C=C1)C2N=C(NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.592 3 1 0.493693534495481 699666 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NN 1 1.6 2 2 0 -5.0143447283755 699664 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2C3=CC=CC=C3N=N2 1 1.924 6 3 0 -5.65882134578872 699658 CN1C=C(C(=N1)C(=O)N2C=C(C=N2)Br)Br 1 2.503 4 1 -0.839493430950289 699655 CC1=C(C(=NN1C(=O)C2=NN(C=C2[N+](=O)[O-])C)C)Br 1 2.077 5 3 0 -5.28386320548658 699634 C1=CC=C2C(=C1)C=CC3=NN=C(N32)C4=CC=CC=C4F 1 3.788 3 0 -0.756448554984685 699629 C1=CC=NC(=C1)C2=NOC(=N2)C3=CC=CS3 1 2.376 3 1 2.16738297313247 699625 C1=CSC(=C1)C2=NC(=NO2)C3=CC=NC=C3 1 1.948 3 1 0 3.95871655193271 699609 CC1=CC=CC=C1N2C3=CC=CC=C3C=C4C2=NC(=O)N(C4=O)C 1 3.346 3 2 1.74775813638552 699587 CC1=NN=NN1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 -6.9e-002 6 3 0 -18.201058436032 699586 C1=CC=C(C=C1)/[N+](=C/C2=CC(=CC=C2)Br)/[O-] 1 3.245 1 1 1.78220292881361 699581 C1=CC=C(C=C1)/[N+](=C/C2=CC=C(C=C2)F)/[O-] 1 2.702 1 1 0.497450979184923 699576 C1=CC=C(C=C1)SC2=NC=C(C=C2)N 1 2.59 2 0 2.36524043814218 699570 C1=CC=C(C=C1)SC2=NC=C(C=C2)[N+](=O)[O-] 1 3.231 2 2 -1.35237633552426 699559 CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N2CCOCC2)C 1 1.236 1 5 0 -15.9260818306832 699557 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 4.395 2 3 -5.09633865354879 699555 COC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.354 2 5 0 -10.8523882037749 699554 COC1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC=CC=C3 1 3.669 3 1 -1.22720131059287 699547 C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)C4=CC=C(C=C4)O)N)C#N 1 3.012 5 1 -7.05662140813008 699513 C1C(CC(=O)CC1=O)C2=CC=CO2 1 0.781 0 3 0 -4.87571996694169 699512 CCN1C(=NC2=C1C=CC(=C2)C(=O)OC)C 1 2.016 2 2 -4.18033295251982 699501 COC(=O)C1=CC2=C(C=C1)SCC(=O)N2 1 1.033 1 3 0 -13.2995504955879 699500 C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)SC(F)(F)F 1 3.872 1 3 -0.458393667765951 699495 C1=CSC(=C1C(=O)N)N 1 -0.128 2 1 0 -1.75158288297445 699474 CC1=NC2=CC3=C(C=C2S1)OCO3 1 1.942 1 2 0 -0.941044116298024 699459 C1=CC=NC(=C1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.985 1 2 -3.22475188840973 699438 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Br)C=O 1 4.42 1 1 -0.45900933095738 699437 COC1=CC=CC(=C1)NC(=O)CC(=O)C2=CC=CC=C2 1 2.518 1 3 -2.95911344760818 699407 CC1=CC(=CC=C1)OCC(=O)NC2=CC(=CC=C2)O 1 2.694 1 3 -1.30567736475955 699366 CC1(N([C@H](CS1)C(=O)NC2=CC(=CC=C2)Cl)C=O)C 1 1.468 2 2 0 -1.17019187298949 699222 CN(C)C1=C2C3=C(C(=O)N(C=N3)C4=CC=CC=C4)SC2=NC=C1 1 2.896 4 1 -9.69031342606891 699198 C1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.753 2 3 0 -14.917598815242 699193 COC1=CC=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.81 2 4 0 -11.1543412207785 699188 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=CC(=CC=C3)O 1 1.505 2 4 0 -6.31742598924296 699180 CC1=CC(=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C 1 2.719 2 3 -11.5141356941789 699167 COC(=O)C1=CC(=C(C(=C1)O)OCC2=CC=CC=C2)O 1 2.768 0 5 -0.8392158787773 699158 COC1=CC=CC=C1N2C(=O)C3=C(C2=O)N=CC=C3 1 1.7 2 3 0 -4.93312308759991 699149 CC1=C(C2=C(C=C1)N3C(=O)C(=CC4=CC=CS4)SC3=N2)C 1 4.927 2 1 -6.75688559052862 699128 CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C(=O)C4=CC=CC=C4)C)C 1 5.317 0 4 3.78585190094202 699126 C1CNC(=O)C2=C1C3=C(N2)C=CC(=C3)[N+](=O)[O-] 1 1.592 3 3 0 -3.23683016828654 699121 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=CC=CC=C3Cl 1 3.884 2 2 -8.92740077617318 699117 CC(=O)NC1=CC=C(C=C1)NC2=CC(=O)C3=CC=CC=C3C2=O 1 1.967 2 3 0 -2.47533871501124 699107 COC1=CC=C(C=C1)C(=O)NCCC2=CNC3=CC=CC=C32 1 3.219 2 2 -10.0789354513123 699102 COC1=CC2=C(C=C1)C(=CN2)CCNC(=O)C3=CC=CO3 1 2.615 2 3 -8.84396774759496 699058 CCC1=NC=CN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.896 3 4 0 -9.85326516643494 699054 CCC1=NC=CN1S(=O)(=O)C2=C(C=CC(=C2)Br)OC 1 2.734 2 3 -6.24575449416824 699047 C#CCN1C2=CC=CC=C2C3(C1=O)OCCO3 1 1.917 1 3 0 -9.89314786563317 699043 CC1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2C#N)N)C#N 1 3.89 5 0 -5.82957432342122 699034 CC1=CC(=CC=C1)NC(=O)CSC2=NC(=CC(=N2)N)N 1 1.821 5 1 0 -8.26514484050124 699028 CC(=O)C(=NNC1=CC=CC=C1)SC2=CC=CC3=C2N=CC=C3 1 4.077 3 1 0.163385190694928 698993 CC1=CC(=C(C=C1)OCC(=O)NCCC2=NC3=CC=CC=C3N2)C 1 3.386 3 2 -7.3330807337913 698987 CC1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)C)C 1 4.821 2 0 7.77429364572056 698980 COC1=CC2=C(C=C1)OC(=C2N)C(=O)C3=CC=CC=C3 1 3.066 1 3 3.25987529489952 698979 CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC)Br)C 1 3.215 0 4 -10.4067809494475 698975 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=O)O 1 1.135 2 5 0 -13.2982562402401 698967 CCOC(=O)C1=C(N2C(=C(C(=N2)C)C#N)N=C1)C 1 0.751 4 2 0 -11.0686069842153 698960 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4 1 4.46 3 0 8.81663373897793 698957 C=CCN1C=C(C(=O)N(C1=O)CC=C)F 1 0.543 2 2 0 -12.1565041187597 698951 C1=CC=C(C=C1)CN2C=CC(=O)N(C2=O)CC3=CC=CC=C3 1 2.567 2 2 -4.86693410227692 698950 CC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CCOCC3 1 1.702 2 3 0 -5.38397942878766 698945 C1CCC(=NNC2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)C1 1 3.054 3 2 -2.6955094544749 698943 COC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC=C3 1 3.67 2 1 8.31812344706532 698942 CCC1=CC=C(C=C1)OCC(=O)NC2=NC=NN2 1 1.694 4 2 0 -7.71232985712172 698934 CC(C)C1=NN=C(S1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.611 4 3 0 -14.9535803489591 698933 CC(C)C1=NN=C(S1)NC(=O)C2=C(C=CC=C2OC)OC 1 2.446 3 3 -12.5988936545533 698903 C1=CC=C(C=C1)C2=CSC(=O)N2 1 1.544 1 1 0 -1.8003225764314 698892 C1=CC=C2C(=C1)C(=O)C(=NC3=CC=CC=C3O)C2=O 1 2.761 1 3 7.74228756759086 698884 CCN1C(=NNC1=S)C2=CC(=CC=C2)Cl 1 3.115 3 0 0.7684692264333 698882 C1=CC=C2C(=C1)C(=NS2(=O)=O)NN=CC3=CC=CS3 1 2.218 3 2 -5.71603765655584 698879 COC1=CC=CC=C1C(=O)NNC2=NS(=O)(=O)C3=CC=CC=C32 1 1.437 3 4 0 -9.31756463306991 698877 CC(C)OC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCCCCC3 1 2.26 7 3 0 -24.4025751960991 698876 CC1=C(N=NN1C2=NON=C2N)C(=O)N3CCCCCC3 1 1.086 7 2 0 -23.8230462178777 698873 CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)O 1 2.336 2 4 -9.27597505202447 698859 CC1=C(N=NN1C2=NON=C2N)C(=O)N3CCCCC3 1 0.63 7 2 0 -23.8230462178777 698849 C1OC2=C(O1)C=C(C(=C2)/C=C/3\C(=O)NC(=S)N3)[N+](=O)[O-] 1 1.492 3 5 0 -10.8590531210952 698837 C1CC1C(=O)CN2C3=CC=CC=C3N=N2 1 1.98 3 1 0 -10.7593027401238 698783 CN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCC3)C#N 1 2.285 4 1 -20.6631665258817 698777 CC1=C(C=NN1C)CNC(=O)C2=C(C=NN2C)[N+](=O)[O-] 1 0.252 6 3 0 -9.14259743669813 698770 C1CC1C(=O)CSC2=NC(=CC(=O)N2)O 1 1.233 2 3 0 -14.9134012756086 698766 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)N 1 1.26 4 2 0 -13.3193742406694 698763 C1CSCCN1C(=S)SCC(=O)C2=CC=C(C=C2)Cl 1 4.557 1 1 -3.12992980679601 698762 C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)N 1 1.277 4 1 0 -13.0630621698987 698750 CC(=O)CSC1=C(C(=NS1)SCC(=O)C)C#N 1 1.632 2 2 0 -11.5671658804403 698695 CCC1=NC(=NN1)SCC(=O)NCCC2=CC=CC=C2 1 2.545 4 1 -13.185479325033 698727 C1CCC2=C(C1)C(=NC(=N2)C3=CC=CC=C3)SCC(=O)N 1 3.126 3 1 -4.6515125401823 698725 C1CCC2=C(C1)C(=NC(=N2)C3=CC=CC=C3)SCC(=O)O 1 3.754 2 2 -6.03008683224777 698716 CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)N4CCOCC4 1 4.037 2 2 -3.8443182697759 698707 CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3 1 4.079 1 2 1.33069077648559 698700 CN(C)C(=O)CSC1=NNC(=N1)C2=CC=CO2 1 1.238 4 2 0 -4.53074506366289 698667 CCN(CC)C(=O)CSC1=NC2=C(C(=C(S2)C)C)C(=O)N1 1 2.412 3 2 -21.1455802685626 698664 CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)N(C)C)C 1 1.714 3 2 0 -16.447689424838 698657 CCN(CC)C(=O)CSC1=NC(=O)C2=CC=CC=C2N1 1 1.993 3 2 0 -18.1288663539401 698655 CN(C)C(=O)CSC1=NC(=O)C2=CC=CC=C2N1 1 1.296 3 2 0 -13.4309755102154 698645 CC1=CC(=O)N=C(N1)SCC(=O)C2=CC(=C(C=C2)F)C 1 2.915 2 2 -14.4184345107012 698642 CCOC(=O)C1=C(N[C@@]2([C@]1(C(=O)C3=CC=CC=C32)O)O)C 1 0.423 1 5 0 -11.3437900025749 698635 CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCC2)N 1 2.182 2 3 -6.00025416927079 698587 CC1=CC(=C(C=C1)OCC(=O)N(C2CCCCC2)C3=CC=CC=N3)C 1 4.875 2 2 -5.81602567679059 698583 CC1=CC=C(O1)C=C2C(=O)C3=CC=CC=C3C2=O 1 2.777 0 3 0.953762255620359 698576 COC1=C(C=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)O 1 2.977 0 4 0.660090757403289 698562 CC1=CC=C(C=C1)C=NN2C(=CC(=C(C2=O)C#N)C)C 1 2.812 3 1 -4.67993511432575 698559 CC1=CC2=C(C=C1)N(C3=NC4=CC=CC=C4N=C23)C(=O)C 1 3.891 3 1 -0.109543237578808 698553 C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2Cl 1 3.194 3 2 -2.65313824865852 698544 CC1=CC(=C(C(=O)N1N=C(C)C2=CC=CS2)C#N)C 1 2.26 3 1 -7.95671988725356 698541 C1CCN(C1)C2=NC3=NON=C3N=C2N4CCCC4 1 0.574 6 1 0 -11.4741653519494 698520 COC1=NC(=NC(=C1)NC(=O)C2=CC(=CC=C2)Br)OC 1 3.15 3 3 -13.1034271275455 698518 CC1=CC=CC=C1NC2=CC(=O)CC(C2)(C)C 1 3.189 1 1 -13.2352307054657 698516 COC1=NC(=NC(=C1)NC(=O)CCC(=O)O)OC 1 0.583 3 5 0 -19.0450215818836 698515 C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=C(C=CC=C3Cl)F 1 4.11 2 1 -3.28023397191179 698514 CC1(CC(=CC(=O)C1)NC2=CC=C(C=C2)OC)C 1 2.687 1 2 -13.3190959785602 698505 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(O3)C4=CC=C(C=C4)F)C(=O)O 1 5.003 1 3 1.24624758229149 698463 CC1=CC=C(C=C1)OCC(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3 1 4.114 2 2 -6.67316184153573 698465 COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)Br 1 3.353 1 2 -6.97792469928864 698469 CC1=CC(=O)N=C(N1)NC2=NC3=C(C=CC(=C3)OC)C(=N2)C 1 1.684 5 2 0 -8.81539953869893 698501 C1CCC2=C(C1)C(=S)N=C(O2)C3=CC=C(C=C3)Br 1 4.78 1 1 -6.10410031674272 698494 CC1=CC(=NC(=C1C(=O)N)NC2=C(C(=CC=C2)Cl)C)C 1 3.69 3 1 -0.278915432328437 698492 C1CCC2=C(C1)C=C(C(=N2)SCC3=CC=CC=C3)C#N 1 4.743 2 0 -12.6948500199128 698491 CCOC(=O)C1=C(OCC1=O)NC2=CC=CC=C2 1 1.884 1 4 0 -5.82636938490374 698490 CC1=CC=CC2=C1N=C3C(=C2N)C(=CC(=N3)C)C 1 2.906 3 0 0.386421535318867 698489 CC1=CC(=NC(=C1C#N)SCC2=CC=CC=C2)C 1 3.991 2 0 -9.72751214024014 698455 C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC=C(O3)Br 1 2.965 2 2 -7.98886634343948 698451 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3OC 1 1.691 3 3 0 -17.2128755562875 698446 CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NN=CN3C)(C)C 1 2.575 4 1 -18.1570158576456 698409 CC1=CC2=C(C=C1)N=C(N=C2OC)NC3=NC(=O)C4=CC=CC=C4N3 1 3.489 5 2 0 -2.50656626380785 698382 CCOC1=CC=CC=C1NC(=S)NCC2=CC=CC=C2 1 4.428 2 1 -11.2117349993705 698373 CC1=CC=C(C=C1)N2C(=CN=C2NC3=NC(=CC(=N3)C)C)O 1 2.63 5 1 -0.829096994159113 698365 C1CCN(CC1)C(=S)NC2=CC=CC=C2 1 3.965 2 0 -10.7763907133103 698357 CC1=C(C(=CC=C1)C)NC(=S)NCC2=CC=CC=C2 1 5.068 2 0 -8.47559507226863 698354 COC1=CC=CC(=C1)NC(=S)NCC2=CC=CC=C2 1 4.079 2 1 -7.87645138637316 698347 CC1=CC(=NC2=NC3=CC=CC=C3C(=O)N12)NC4=CC=CC=C4C(=O)O 1 2.63 4 3 0 -9.12071725743287 698346 CNC(=S)NC1=CC=C(C=C1)OC 1 2.495 2 1 -7.52128659786121 698316 CCCC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2 1 2.865 2 2 -7.78311893835307 698314 CC1=CC(NC2=C1C=C(C=C2)OC(=O)C3=CC=CO3)(C)C 1 3.716 1 3 -8.3560942855827 698302 CC1=CC(N(C2=CC=CC=C12)C(=O)C3=CC=CC=C3)(C)C 1 4.07 1 1 -5.42190437364607 698299 CC1=CC(N(C2=CC=CC=C12)C(=O)C)(C)C 1 2.406 1 1 -3.08800598590208 698298 CNC(=S)NC1=CC=C(C=C1)Br 1 3.26 2 0 -6.74298144323169 698279 C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)NC(=O)C4=CC=CS4 1 3.794 3 1 -5.08395424646721 698276 CC1=CC=C(O1)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC 1 1.201 1 5 0 -20.2751919907307 698273 CC1=CC(=NC=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.307 2 1 2.72599129865141 698272 C1C2=CC=CC=C2CN1C3=CC(=CC=C3)[N+](=O)[O-] 1 3.223 2 2 -0.9634709482794 698264 C1OC2=C(O1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.312 2 5 0 -9.65175490082897 698255 C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 3.208 2 3 -4.87318664498027 698250 CN1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C=C2O 1 1.867 2 2 0 1.35763055977955 698238 COC1=CC(=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)F 1 3.552 1 2 -2.63229193781166 698230 CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)N 1 2.636 2 3 -3.6106777143527 698228 CCOC(=O)C1=C(N(C(=S)S1)CC=C)N 1 2.257 2 2 -11.8252978254187 698207 C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3=CN=CC=C3)N 1 2.749 4 1 -10.3667100320615 698201 CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)OC)C3=CC=CS3 1 4.985 2 1 -2.84705725158152 698181 CC1=CC(=CC=C1)NC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C34 1 4.193 1 2 -1.41392890177166 698162 CC1=C(SC(=N1)NC(=O)C2=CC=CO2)C(=O)OC 1 1.436 2 4 0 -8.61889817331341 698158 CC1=CC=C(C=C1)OCC(=O)NC2=NC(=C(S2)C(=O)OC)C 1 2.362 2 4 -9.85440758971826 698135 CC1=NC=CN1C[C@@H]2CCC3=C(C2=O)C4=CC=CC=C4N3C 1 2.634 3 1 -3.58817092309545 698133 C1CN(CCC1CC2=CC=CC=C2)CC3=C4C=CC=NC4=C(C=C3)O 1 4.505 2 1 11.1147087135645 698094 COC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(C=C3)C(=O)O 1 0.111 2 3 0 1.62096435407264 698121 CC1=CC(=NC2=C1C(=C(S2)C(=O)C)N)C 1 1.793 2 1 0 -3.25312078532946 698106 CC1=CC(=NC2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)C 1 4.122 2 1 -0.815624908394163 698101 CC(=O)N1C=C(C2=CC=CC=C21)/C=C(/C(=O)O)\OC(=O)C 1 1.683 1 5 0 2.83983418861925 698079 C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=S)N 1 1.21 3 2 0 -3.52138057353833 698057 CC1=CC(=NC(=C1C#N)N2CCOCC2)C 1 1.716 3 1 0 -5.40350103438536 698022 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2OC 1 3.188 1 4 -9.11161161784296 698020 COC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.951 1 4 -13.0831361393981 698012 CC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O 1 2.517 1 5 -7.57972385353494 698008 C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N 1 1.982 2 4 0 -7.9555363662977 697978 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2C#N 1 2.18 2 3 -7.73194131270208 697958 CN(C)S(=O)(=O)C1=C(C=CC=C1Cl)Cl 1 2.275 1 2 -2.77689005668642 697935 C1=CC(=C(C(=C1)Cl)S(=O)(=O)NCC(=O)O)Cl 1 1.551 1 4 0 -7.51176722991685 697934 CC(=O)C1=CC2=C(C=C1)OCCOCCOCCO2 1 1.093 0 5 0 -7.14254043774685 697922 C1[C@@H](COC1=O)NC(=O)OCC2=CC=CC=C2 1 1.403 1 4 0 -5.71258276162845 697921 C1COCCN1S(=O)(=O)C2=CC=CC=C2C(F)(F)F 1 1.577 1 3 0 -12.4211024684001 697912 C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=CC=C2C(F)(F)F 1 2.889 1 4 -6.63782292266834 697901 C1=CC(=CC(=C1)S(=O)(=O)NC2=CN=CC=C2)C(F)(F)F 1 2.109 2 2 -0.11360375826402 697873 CN(C)S(=O)(=O)C1=CC=CC=C1C#N 1 0.825 2 2 0 -7.44993221127346 697851 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC=CN=C3)C#N 1 1.79 4 1 0 -21.5160458952057 697841 CCOC(=O)C1=C(N(N=N1)C2=NON=C2NC(=O)C)C 1 0.37 6 4 0 -21.2177288116769 697807 C1=CC=C(C=C1)C2=CSC(=N2)NC3=CN=CC=C3 1 2.536 3 0 6.93006162453146 697784 C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)NCCC(=O)O 1 1.413 1 4 0 -10.6889733507272 697773 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl 1 2.277 1 2 -10.9132068518728 697771 CSC1=NN(C(=S)S1)CCC2=CC=NC=C2 1 3.598 3 0 -1.32215235575809 697734 CC1(CC(=O)C(=C2C3=CC=CC=C3CC4(N2)CCCCC4)C(=O)C1)C 1 3.706 1 2 -10.3901696971673 697712 COC1=C(C=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC=CC=C4)OC 1 3.095 5 2 0 1.38669563212177 697699 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=CC=N4)C 1 3.172 6 0 -0.259247690001799 697679 C=CCN1C(=NNC1=S)C2=CC(=CC=C2)Cl 1 3.383 3 0 -3.60016479574557 697670 CCOC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)N(C)C)OC 1 2.798 4 4 0 -10.1230145012655 697669 CCOC(=O)C1=C(N=C2C=CC(=CC2=C1)OCC3=CC=CC=C3)C 1 4.07 1 3 -3.1710957855135 697664 CC1=C(C(=NC(=N1)NC(=O)C)SCC(=O)OC)Br 1 1.511 3 3 0 -13.4086410043416 697631 CC(C)(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 2.074 2 3 -23.8067703563635 697629 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NN=C(S3)CC(C)C 1 3.27 4 2 -13.0725358562715 697627 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCCCC2 1 2.919 2 3 -9.22924789380948 697625 C1=CC=C(C=C1)C2=CSC3=NC(=O)C(=C(N23)N)C=C4C=CC(=O)C=C4 1 2.298 3 2 -4.20262369943096 697595 CC(C)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 1.903 2 3 0 -21.6539324399624 697592 COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)S(=O)C 1 3.976 2 2 0.896041315547516 697581 C1CCC2=C(C1)C=C(C(=N2)SCC3=CC=C(C=C3)Cl)C#N 1 5.407 2 0 -10.0580364245464 697580 CC(C)(C)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 2.109 2 3 -20.2525350759761 697579 C1CCC2=C(C1)C=C(C(=N2)S(=O)(=O)CC3=CC=CC=C3)C#N 1 3.727 2 2 -14.533785375083 697577 CC(C)CC1=NN=C(S1)NC(=O)CC2=CC=CS2 1 2.712 3 1 -12.095946158501 697564 CCNC1=C(C(=CC(=N1)C)COC)C#N 1 1.341 3 1 0 -6.15961089370282 697562 CC1=NC(=C(C(=C1)COC)C#N)SC 1 1.725 2 1 0 -7.49595891375234 697553 CC(C)CC1=NN=C(S1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.653 4 3 0 -11.4018996838326 697552 CC(C)CC1=NN=C(S1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.653 4 3 0 -14.0559914091622 697547 CC(=O)NC1=NN=C(S1)CC2=CC=C(C=C2)OC 1 1.367 3 2 0 -10.1179435498941 697520 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=CC=C3F 1 3.237 3 2 -12.7703113785051 697512 C1CCN(CC1)C(=O)C2=C(C3=CC4=C(CCCC4)N=C3S2)N 1 3.136 3 1 -14.216490552475 697506 CC(C)CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.091 3 2 -4.58485017543376 697503 CC1(CC2=CC(=C(C=C2C(=N1)NC3=CC=CC=C3)OC)OC)C 1 3.499 2 2 -2.37537572800577 697473 CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)N2 1 1.93 2 2 0 -8.03330716664733 697450 CSC1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.107 3 3 -3.30970434041739 697435 CCOC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=CC=C3 1 2.759 2 3 -9.48909658618269 697434 C1=CSC(=C1)C(=O)NCCC2=CC=C(C=C2)F 1 3.101 1 1 -6.86728191379244 697400 CC(C)CN1C2=CC=CC=C2OC1=O 1 2.737 1 2 -2.50726334484751 697393 CC(=CC(=O)NC1=CC=C(C=C1)Cl)C 1 3.161 1 1 -0.64418473345321 697391 C1=CC=C2C(=C1)C(=CC=C2O)NS(=O)(=O)C3=CC=CS3 1 2.77 1 3 -0.453278808646405 697381 C1=CC=C2C(=C1)N(C(=S)O2)CCC(=O)O 1 2.794 1 3 -6.67801361931892 697376 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=C(C=C2)O)C(=O)O 1 2.677 1 5 -1.19013837820552 697374 CCC1=CC(=C(C=C1)CC)S(=O)(=O)NC2=CC(=C(C=C2)O)C(=O)O 1 3.59 1 5 0.129090098456003 697370 COC1=CC=C(C=C1)CCCC2=NC3=CC=CC=C3N2 1 4.201 2 1 1.39655700371136 697360 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=CC(=C(C=C3)O)C(=O)O 1 2.613 1 5 -6.62985347453204e-003 697343 CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=O)S3)C 1 4.005 1 4 0.868024991631412 697266 CC(=NNC(=O)CC1=CC=CN1C)C2=CC=CS2 1 2.243 3 1 -11.3193689759042 697270 CC1=CC(=O)N=C(N1)N2CCCC2 1 0.429 3 1 0 -10.7772749705543 697271 CC1=CC(=NC(=N1)N2CCOCC2)OC3=CC=C(C=C3)C(C)(C)C 1 3.584 3 2 2.24291338841977 697283 CC(=NNC(=O)CC1=CC=CN1C)C2=CC=CO2 1 1.684 3 2 0 -6.77384850214516 697292 C1=CN2C=C(N=C2N=C1)C3=CC=C(C=C3)Cl 1 2.796 3 0 4.04549890201558 697333 CN1C=CC=C1CC(=O)NN=CC2=CC=CO2 1 1.704 3 2 0 -8.07154062286278 697331 CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC=C(C=C2)O)C 1 3.534 1 3 2.13876636719934 697326 CC1=C(C(=O)NC(=S)N1)CC2=CC=CC=C2 1 2.53 2 1 -11.1332965894884 697318 CC1=CC(=C2C3=CC=CC=C3N(C2=O)C(=O)C)C=C(O1)C 1 1.804 1 3 0 -6.28120736531176 697316 CC1=CC2=NC(=C(N2C=C1)C3=CSC(=N3)NCC4=CC=CO4)C 1 2.813 4 1 2.69174676732507 697312 CC1=C(N2C=CC=CC2=N1)C3=CSC(=N3)NCC4=CC=CO4 1 2.327 4 1 3.21494849340115 697303 CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NC4=CC=CC=C4 1 2.753 5 0 5.27963769784116 697302 CC(=NNC(=O)CC1=CC=CN1C)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.184 4 3 0 -11.072578945928 697299 CC1=C(N2C=CC=CC2=N1)C3=CSC(=N3)NC4=CC=C(C=C4)C(=O)O 1 2.768 4 2 3.36423259459461 697265 CC1=CC(=NC(=N1)N2CCOCC2)OC3=CC=C(C=C3)C(=O)C 1 1.924 3 3 0 -5.36857959600819 697262 CC1=CC(=NC(=N1)N2CCOCC2)NC3=CC(=CC=C3)Cl 1 2.201 4 1 4.67667099617961 697260 CC1=CC(=NC(=N1)N2CCOCC2)NC3=CC=C(C=C3)Cl 1 2.201 4 1 3.49689708275003 697257 CC1=CC(=C(C=C1)NC2=NC(=NC(=C2)C)N3CCOCC3)C 1 2.509 4 1 4.23786038544793e-002 697256 CN1C=CC=C1CC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.203 4 3 0 -10.0677976047663 697254 CC1=CC(=NC(=N1)N2CCOCC2)N3CCCCC3 1 1.083 4 1 0 -2.84846460722092 697251 CC1=CC(=NC(=N1)N2CCOCC2)NC3CCCCC3 1 1.818 4 1 0 -3.34820851341077 697249 CC1=CC(=NC(=N1)N2CCOCC2)NCC3=CC=CC=C3 1 1.543 4 1 0 -2.37546105683598 697248 CC1=CC(=NC(=N1)N2CCOCC2)NC 1 -4.e-002 4 1 0 -3.78804192251199 697245 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)OC3CCCCC3 1 4.155 3 1 -3.01710919091421 697244 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)OC3=CC=CC=C3F 1 4.079 3 1 0.156927974897874 697240 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)OC3=CC=CC=C3 1 3.874 3 1 -0.755894156374176 697239 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NC3=CC(=CC=C3)F 1 3.432 4 0 4.57496110643421 697235 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NC3=CC(=CC=C3)Cl 1 3.891 4 0 5.53282469750921 697233 CC1=CC=C(O1)C2=CC(=NN2)C(=O)NN=C/C(=C/C3=CC=CC=C3)/C 1 3.713 4 2 -3.45195348627362 697231 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NC3=CC=C(C=C3)Cl 1 3.891 4 0 4.45044501060441 697226 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NC3CCCCC3 1 3.508 4 0 -2.3192266685383 697214 CC1=C(C(=O)N=C(N1)SC(C)C)CC2=CC=CC=C2 1 3.629 2 1 -10.9064748357757 697212 CC1=C(SC=C1)C=NNC(=O)C2=CN=CC=C2 1 1.972 3 1 0 -6.27862479214465 697203 CN1CCN(CC1)C2=NC(=CC(=N2)C3=CC=C(C=C3)OC)C#N 1 2.309 5 1 4.77642714394964 697202 COC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3CCCCC3 1 3.114 3 3 -14.221061145424 697199 C1CCC(CC1)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3 1 3.13 3 2 -14.2826113525951 697198 CCOC(=O)CSC1=NN=C(O1)C2=CC=CC=C2 1 2.268 2 3 -12.3938814768577 697197 C1COC(OC1)CCSC2=NN=C(O2)C3=CC=CC=C3 1 2.287 2 3 -7.50594694668645 697183 C1=CC=C(C=C1)/C=C(\C=NNC(=O)C2=CC=CS2)/Cl 1 3.365 2 1 -6.10002344810173 697180 CC1=CC=C(O1)C2=CC(=NN2)C(=O)NN=CC3=CC=C(C=C3)Cl 1 3.57 4 2 -0.120192390129885 697179 CC1(CC2=C(C=CC3=CC=CC=C23)C4=NN=C(N41)C5=CN=CC=C5)C 1 3.664 4 0 1.71807770719696 697176 CC1(CC2=CC=CC=C2C3=NN=C(N31)C4=CC=CC=C4)C 1 3.907 3 0 1.40112609628245 697172 C1=CSC(=C1)C=NNC(=O)C2=NC=CN=C2 1 0.764 4 1 0 -9.71641527070882 697160 CC(C)(C)C1=CSC(=N1)NC(=O)C2=CN=CC=C2 1 2.29 3 1 -7.03427388691306 697152 CC1=CC(=CC(=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C 1 4.185 0 5 -8.8475243366899 697145 CC1=CC=C(O1)C2=CC(=NN2)C(=O)NN=CC3=CC=CC=C3 1 2.906 4 2 -2.11413489780106 697140 C1=CC(=CN=C1)C(=O)NNC(=S)NCC2=CC=C(C=C2)Cl 1 2.517 4 1 -8.81427123629243 697128 C1=CC=C(C(=C1)/C=C/2\C(=O)NC(=O)N2)OCC3=CC=C(C=C3)[N+](=O)[O-] 1 2.198 3 5 0 -9.35201990056185 697120 CC1=CC=C(C=C1)C=NNC(=O)C2=NNC(=C2)C3=CC=C(O3)C 1 3.392 4 2 -2.13048767505051 697117 CC1=CC=C(O1)C2=CC(=NN2)C(=O)NN=CC3=CC=C(C=C3)F 1 3.111 4 2 -1.23031405525145 697113 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)CC2=CC=CS2 1 3.531 3 1 -12.3585342463566 697108 CN1C=CC=C1C=NNC(=O)CN2C=NC3=CC=CC=C32 1 1.847 5 1 0 -13.0959456137033 697089 C1CCC(CC1)NC(=S)N2CCOCC2 1 2.739 2 1 -12.4544439982851 697088 C1=CSC=C1/C=C/2\C(=O)NC(=O)N2 1 0.398 2 2 0 -10.1642284387999 697087 CN1C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC=CO3 1 2.735 4 2 -9.99898540070755 697080 CC1=C(SC=C1)C=NNC(=O)CN2C3=CC=CC=C3N=N2 1 2.785 5 1 -13.2613137440538 697077 C1=CC=C2C(=C1)N=CN2CC(=O)NN=CC3=CC=CS3 1 2.209 4 1 -11.4141826260411 697075 CC(=NN1CCN(CC1)C2=CC=CC=C2)C3=CC=CS3 1 3.127 3 0 1.24590603855405 697068 C1=COC(=C1)CNC(=S)NN=CC2=CC=NC=C2 1 1.846 4 1 0 -8.74046305230223 697067 CC(=NNC(=O)CN1C=NC2=CC=CC=C21)C3=CC=CS3 1 2.19 4 1 -13.6619559236256 697065 COC1=C(C=C(C=C1)NC(=S)N2CCCCCC2)OC 1 4.388 2 2 -15.9498553239698 697064 C1=CC=C2C(=C1)N=CN2CC(=O)NN=CC3=CC=CO3 1 1.651 4 2 0 -10.4141275705841 697060 C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)Cl 1 4.45 2 1 -7.67583099692143 697059 C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3 1 3.786 2 1 -10.6056760543361 697055 CN1C=CC=C1C=NN2CCN(CC2)C3=CC=CC=C3 1 2.784 4 0 0.467465678032351 697051 C1=CC=C(C(=C1)/C=C/2\C(=O)NC(=O)N2)OCC3=CC(=CC=C3)[N+](=O)[O-] 1 2.198 3 5 0 -10.6457014838215 697042 C1=CC(=CN=C1)NC(=O)/C=C/C(=O)O 1 4.3e-002 2 3 0 -4.76122965830569 697031 C1CN(CCN1C2=CC=C(C=C2)Cl)N=CC3=CN=CC=C3 1 2.707 4 0 6.1315944802688 697029 C1=CC=C(C=C1)/C=C(/C=NNC(=O)C2=NC=CN=C2)\Cl 1 1.539 4 1 0 -8.99345316965436 697027 C1=CC=C(C=C1)/C=C(\C=NNC(=O)C2=NC=CN=C2)/Cl 1 1.539 4 1 0 -8.99345316965436 697025 C1=CC=C(C=C1)/C=C(\C=NNC(=O)C2=CC=CS2)/Br 1 3.449 2 1 -8.6009013226305 697024 C1=CC=C(C=C1)/C=C(/C=NNC(=O)C2=CC=CS2)\Br 1 3.449 2 1 -8.6009013226305 697022 CC1=C(SC=C1)C=NNC(=O)CC2=CC=CN2C 1 2.748 3 1 -7.20526744698608 696998 C1=CC=C(C=C1)/C=C(/C=NNC(=O)C2=CC=CC=N2)\Cl 1 2.69 3 1 -7.92059218994104 696996 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4 1 3.62 2 2 -0.586624365649529 696991 C1=CC=NC(=C1)C=NNC(=O)CC2=CC=CS2 1 1.949 3 1 0 -6.06261779380998 696986 CC1=CC=C(O1)C=NN2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.398 3 1 5.21927469124946 696982 CC1=CC=C(C=C1)N2CCN(CC2)N=CC3=CC=NC=C3 1 2.528 4 0 4.10892918948216 696971 CC1=NN=C(N1N=CC2=CC=CC=N2)C 1 0.844 5 0 0 0.671002563234101 696964 CC1=CC=C(O1)C=NNC(=O)CSC2=NC3=CC=CC=C3N2 1 2.674 4 2 -7.24836147682471 696944 CC1=CC=C(C=C1)N2CCN(CC2)N=CC3=CN=CC=C3 1 2.528 4 0 4.30959578968198 696941 C1=CC=C(C=C1)/C=C(/C=NNC(=O)C2=CC=CO2)\Cl 1 2.807 2 2 -5.45876003902159 696940 C1=CC=C(C=C1)/C=C(\C=NNC(=O)C2=CC=CO2)/Cl 1 2.807 2 2 -5.45876003902159 696938 CC1=C(SC=C1)C=NNC(=O)CSC2=NC(=CC(=N2)C)C 1 2.824 4 1 -11.469905648063 696933 CCOC1=CC2=C(C=C1)N(C3=NC4=CC=CC=C4N=C23)C 1 3.953 3 1 -2.65995953469067 696927 CC1=CC(=C(O1)C)C(=O)NN=C/C(=C/C2=CC=CC=C2)/C 1 2.884 2 2 -8.11483140787165 696921 CC1=C(SC=C1)C=NNC(=O)C2=CC=CO2 1 2.518 2 2 -4.3153939087424 696912 CC1=CC=C(O1)C=NNC(=O)CN2C=NC3=CC=CC=C32 1 1.797 4 2 0 -10.2708535295048 696908 CC1=CC(=C(O1)C)C(=O)NN=C/C(=C/C2=CC=CC=C2)/Cl 1 2.807 2 2 -7.22699663208366 696895 C1CN(CCN1C2=CC=C(C=C2)Cl)N=CC3=CC=NC=C3 1 2.707 4 0 5.93092788006898 696894 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=O)CC(C)C 1 3.307 3 2 -3.43633543083871 696890 C1=CC=C(C=C1)/C=C(/C=NNC(=O)C2=NC=CN=C2)\Br 1 1.623 4 1 0 -11.4943310441831 696887 C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3NC2=S 1 4.046 2 1 -3.82981889420128 696885 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4 1 3.11 3 2 2.46293280928714 696881 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C3=NC4=C(O3)C=CC=N4 1 2.505 3 3 4.16443277498329 696879 CC1=C(C2=CC=CC=C2O1)C3=CN4CCSC4=N3 1 3.221 2 1 2.94582875717751 696878 CC1=C(SC=C1)C=NNC(=O)CCC2=C(NN=C2C)C 1 2.486 4 1 -8.99644915850612 696877 CC(C)CSC1=NC2=CC=CC=C2N1CC(=O)N 1 2.68 3 1 -9.21825453206871 696875 CC1=CC(=O)OC2=C1C(=NN2C3=CC=C(C=C3)Cl)C 1 3.644 2 2 0.301907809846677 696873 C1CSC2=NC(=CN21)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4 1 4.204 2 2 -3.40276939674298 696867 C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC=C(C=C3)F 1 3.27 3 1 -5.64812176210191 696828 CN(C)C(=O)C1=CC2=C(C(=CC=C2)CC=C)OC1=O 1 2.281 1 3 -11.7057668132306 696853 CCC1=CC2=C(S1)N=CN=C2SCC(=O)C3=CC=CC=C3 1 4.261 2 1 -7.38849205905044 696849 C1CCC2=C(C1)C3=C(S2)N=CN4C3=NN=N4 1 1.437 5 0 0 -14.8946422641965 696847 C1CC2=C(C1)SC3=C2C4=NN=CN4C=N3 1 1.985 4 0 0 -7.47642772706174 696845 CC1=C(SC2=C1C3=NN=CN3C=N2)C 1 1.69 4 0 0 -2.88672706855415 696833 CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)O 1 2.933 2 3 -25.676026638317 696829 CN(C)C(=O)C1=CC2=C(C(=CC=C2)OC)OC1=O 1 1.257 1 4 0 -9.36885446774753 696812 CSC1=CC=CC(=C1)NC(=O)CCC(=O)O 1 1.337 1 3 0 -7.22129897765956 696808 C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)C(=O)O 1 3.811 2 3 -2.84814387183742 696773 CC(C)(C)NC1=NN=C(CS1)C2=CC=C(C=C2)Cl 1 3.743 3 0 -3.48874678264011 696767 CC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)Cl 1 2.888 2 2 -11.4532856319059 696766 COC1=CC=CC(=C1)C=NNC(=O)C2=C3CCC4=CC=CC=C4C3=NN2 1 3.95 4 2 -3.27212639776126 696725 C1=CC(=CN=C1)C=NNC(=S)NCC2=CC=CO2 1 1.846 4 1 0 -8.63719067862719 696714 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3)CNC(=O)C4=CC=CS4 1 2.438 2 2 -16.3359855227565 696705 CSC1=NC=CN1C(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.349 3 3 -5.21277488532673 696689 C1COCCN1C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.671 4 3 0 5.07622005391772 696667 C1=COC(=C1)C=NNC(=O)C2=NNC(=C2)C3=CC=CS3 1 2.714 4 2 -5.21330395730715 696660 C1=COC(=C1)CNC(=S)NN=CC2=CC=C(C=C2)Cl 1 3.661 3 1 -6.73221427957727 696656 C1OC2=C(O1)C=C(C=C2)C=NNS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.818 2 4 -0.524663302809872 696645 C1CC2=C(C=C(N2CCC(=O)O)C3=CC=CC=C3)C(=O)C1 1 3.06 1 3 -6.85178346479546 696629 C1COCCN1N=CC2=C3C=CC=CN3C(=N2)C4=CC=CC=C4Cl 1 3.031 4 1 -0.558445235607221 696623 C1COCCN1N=CC2=C3C=CC=CN3C(=N2)C4=CC=C(C=C4)Cl 1 3.031 4 1 1.99471165082557 696603 CC1=CC(=C2C(=C1)C(=O)C(=C(N2)C)CN3CCCCCC3)C 1 4.106 2 1 -2.28887334783153 696581 C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC=CC=C2F 1 3.7 2 1 -11.1844790314684 696565 CCOC1=CC2=C(C=C1)NC(=C(C2=O)CN3CCN(CC3)C)C 1 2.05 3 2 -3.52616137374286 696551 CCOC1=CC2=C(C=C1)NC(=C(C2=O)CN3CCCCC3)C 1 3.01 2 2 -5.52053646410768 696535 CCOC1=CC2=C(C=C1)NC(=C(C2=O)CN(C)C)C 1 2.093 2 2 -5.50558677335226 696527 CCOC(=O)C1=CN=C2C=CC(=CC2=C1N(C)CC3=CC=CC=C3)C 1 4.452 2 2 0.830197001530893 696521 CC1=C(C=CO1)C(=O)NN=CC2=CC=C(S2)Br 1 2.454 2 2 -1.54962102266696 696459 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC3=CC=CC=C3)OC 1 3.596 2 3 -2.54834795463901 696449 C1CCCC(CCC1)NC(=O)C2=CC=CC=C2O 1 3.566 1 2 -2.73398825761448 696434 CC1=CC2=C(C=C1)NC(=C(C2=O)CN(C)C3CCN(CC3)C)C 1 2.357 3 1 -1.31563324468518 696431 CCOC(=O)/C=C\1/C2=CC(=C(C=C2CC(N1)(C)C)OC)OC 1 2.361 1 4 -9.1274764113751 696399 CN1C2=C(N=C1SCC3=CC=CC=C3F)N(C(=O)N(C2=O)C)C 1 2.772 4 2 -15.6093510237587 696380 COC1=CC=C(C=C1)C2=NNC(=S)N2C3CCCCC3 1 3.943 3 1 -5.19498432358321 696375 C1=CC=C2C(=C1)C(=CC=C2F)CSC3=NC4=CC=CC=C4N3 1 5.126 2 0 -1.47262146452815 696369 CC1=CC(=NC(=N1)SCC(=O)NN=C2CCCC2)C 1 1.653 4 1 0 -14.6586809306583 696365 C1=C(C=NC=C1Br)C(=O)NN 1 -6.2e-002 3 1 0 -3.35999496192037 696345 CC1=CC=C(C=C1)C2=NC(=C(O2)N3CCCCC3)C#N 1 3.649 3 1 -0.927164773287279 696321 C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=C(C=C2)O)/C#N 1 2.686 2 2 -10.4120025173662 696316 COC1=CC(=C(C=C1)OC)NC2=NCCS2 1 2.198 2 2 -6.47094878857258 696291 C1=CN=CC=C1/C=C(\C#N)/C(=O)N 1 -1.2e-002 3 1 0 -7.47023394423825 696278 C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2 1 2.344 3 1 -12.512307548531 696273 C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=NC=C2 1 2.344 3 1 -10.4160283723729 696261 C1CCN(C1)C(=S)NC(=O)C2=CC=CC=C2 1 2.908 2 1 -12.4401324577725 696247 C1=CC=C(C(=C1)NC2=NNC(=S)S2)Cl 1 3.674 3 0 -2.42752869293893 696240 C1=CC=C(C=C1)/C=C\2/C(=O)NN(C2=O)C3=CC(=CC=C3)Br 1 3 2 2 -1.77816023069299 696188 COC1=C(C=C(C=C1)C2=CN3C=CC=NC3=N2)Br 1 2.864 3 1 1.5803904323297 696182 CC1=CC=C(C=C1)C2=CN3C=CC=C(C3=N2)C 1 3.489 2 0 1.32635425831395 696181 C1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)Cl 1 3.181 2 0 2.12664545091868 696149 CC1=NC(=C(O1)NCC2=CC3=C(C=C2)OCO3)C#N 1 1.58 3 3 0 -8.41154148661749 696148 CC1=NC(=C(O1)NCC2=CC=C(C=C2)OC)C#N 1 1.795 3 2 0 -7.12925375853652 696146 CC1=CC=C(C=C1)CNC2=C(N=C(O2)C)C#N 1 2.298 3 1 -6.90458414372618 696142 CC1=CC=C(C=C1)C2=NC(=C(O2)NCCN3CCCCC3)C#N 1 3.435 4 1 0.792609365826642 696134 C1CCN(CC1)CCNC2=C(N=C(O2)C3=CC=CC=C3)C#N 1 2.948 4 1 0.318092949511441 696042 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=CS2)C 1 2.343 2 3 -11.9752548097488 696014 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CN4C=CC=CC4=N3 1 1.322 3 3 0 -15.3563153888322 695941 CCC1=CC=C(C=C1)OC(=O)/C=C/C2=CC=CO2 1 4.067 0 3 -4.04078442009989 695926 CC1=C2C(=CC(=C1)[N+](=O)[O-])C(=NC3=CC=CC=C3)C4=C2N=CC=C4 1 4.418 3 2 3.23587778692196 695916 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC=C(C=C4)O 1 3.474 2 3 6.63510569068185 695894 CC1=C(C=CC(=C1)C2=CSC(=N2)NC3=NC=CC=N3)OC 1 2.899 4 1 6.91825524778278 695829 C1=CC2=NC(=C(N2C=C1)N=CC3=CC=C(C=C3)Cl)C4=CC=CO4 1 4.712 3 1 5.6373312652354 695793 CC1=CC(=C(N1C2=CC=NC=C2)C)/C=C/3\C(=O)NC(=O)N3 1 0.753 4 2 0 -10.7605329074503 695780 CCCN(CCC)C1=NC(=NC(=N1)NCC2=CC=CO2)Cl 1 3.232 5 1 -3.10546547875362 695758 C1=CC=NC(=C1)C2=NOC(=N2)C3=CC(=C(C=C3)Cl)Cl 1 3.751 3 1 7.64860318862377 695755 C1=CC(=C(C=C1C2=NC(=NO2)C3=CC=NC=C3)Cl)Cl 1 3.323 3 1 8.53992373962032 695731 CC1=C(C=CC=C1[N+](=O)[O-])C2=NC(=NO2)C3=CN=CC=C3 1 2.375 4 3 0 2.53360459969008 695697 COC1=CC=C(C=C1)CC2=NC(=NO2)C3=CC=C(C=C3)Br 1 3.912 2 2 3.67909331507585 695695 CCCC(=O)NC1=C(C(=C(S1)CC2=CC=CC=C2)C)C(=O)N 1 3.192 2 2 -11.0736976978411 695685 COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.28 3 2 -5.04443449270495 695675 CC(=NNC(=O)COC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CO2 1 1.788 3 5 0 -6.10821338465114 695645 COC1=C(C=C2C(=C1)C(=O)OC(=N2)CCC3=CC=CC=C3)OC 1 3.599 1 4 -5.53597646518642 695642 C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3Br 1 3.889 1 2 -6.43871529185138 695640 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4C(=O)O3 1 3.925 2 3 -10.3559861449947 695630 CN1C2=C(CN(CN2)CCC3=CC=CC=C3)C(=O)N(C1=O)C 1 1.351 4 2 0 -9.75191443182596 695625 C1COC2=CC3=NOC(=C3C=C2O1)C4=CC=CC=C4 1 3.216 1 3 2.01037416997466 695621 CC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=CO3 1 2.303 1 5 -6.0318458427681 695620 C1=CSC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)O2 1 3.842 1 2 -4.96056287877728 695610 CCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CNC(=O)NC2=O 1 -0.736 4 4 0 -16.9641905974174 695599 C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)N=CC=C3 1 1.611 3 4 0 -5.95751724880484 695595 C1=CC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)N=C1 1 1.346 2 4 0 -6.3485282742629 695590 CC(=C)C1=NC2=CC(=C(C=C2C(=O)O1)OC)OC 1 2.587 1 4 -6.20919406939233 695550 CN1C2=C(CN(CN2)CC3=CC4=C(C=C3)OCO4)C(=O)N(C1=O)C 1 0.798 4 4 0 -11.3869138487357 695535 C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=CC=CC=C3F 1 4.938 1 1 -6.51318271840555 695507 C1=CC=NC(=C1)N=C2C(=C(SS2)Cl)Cl 1 3.614 2 0 3.55369337754299 695469 CC(C)(C)C1=CC=C(C=C1)/C=C/2\C(=O)N=C(S2)N3CCCC3 1 4.27 2 1 -2.32824273088688 695467 C1=CC=NC(=C1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 4.173 2 2 1.77824963865604 695466 CCCC1=C(N=C(NC1=O)SCC(=O)N2CCCCC2)O 1 2.435 3 3 -17.5355635348525 695461 CC1=CC(=NC(=N1)SCC(=O)N2CCOCC2)C 1 0.632 3 2 0 -14.1005005841009 695459 CCN(CC)C(=O)CSC1=NC(=CC(=N1)C)C 1 1.642 3 1 0 -15.6719184850427 695455 C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)N3C(=O)CCC3=O)Cl 1 2.721 2 3 -12.6953601097501 695453 C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC(=O)N3CCOCC3 1 2.569 3 2 -20.8230150914575 695450 C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)O 1 3.823 0 2 -1.22600836873555 695449 C1=CC2=C(C(=C1)NC(=O)CCCC(=O)O)N=CC=C2 1 1.438 2 3 0 -14.6997142118132 695447 CC1=CC(=C(C(=O)N1)C(=O)/C(=C/C=C/C2=CC=CC=C2)/C)C 1 3.373 1 2 -11.1464416870657 695400 CC1=CC(=C(C=C1)C)OC2=CC(=NC(=N2)N)F 1 3.484 3 1 -1.17672226470172e-002 695407 CSC1=CC=CC(=C1)NC(=O)C2=NC=CN=C2 1 1.283 3 1 0 -5.28513673414971 695432 CC(=O)N1C=C(C2=CC=CC=C21)/C=C/3\C(=O)OC(=N3)C4=CC=CC=C4 1 3.596 2 3 -4.01814490469337 695392 COC1=CC(=C2C(=C1)C=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.552 2 4 -8.2748225421631 695373 CC1=NNC(=NC1=O)SCC2=CN=C(O2)C3=CC=CC=C3 1 2.035 4 2 -5.4777518957708 695358 CC1=CC(=NO1)NC(=O)CSC2=CC=CC=N2 1 1.535 3 2 0 -19.0051957298866 695356 C1CCC2(CC1)C(=CC(=O)O2)NCC3=CC=CO3 1 2.103 1 3 -2.70086552361437 695353 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=NC=CN=C3 1 0.51 3 3 0 -10.3441861486463 695351 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=NC=CN=C3 1 0.527 3 3 0 -11.7894873022148 695345 C1CCC(CC1)N2C(=NNC2=S)C3=CN=CC=C3 1 2.809 4 0 -6.82655526036365 695334 CC(=CC1=C(N2C=CC=CC2=NC1=O)O)C 1 1.561 2 2 0 -8.57808985922593 695287 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)C3CCCCC3)OC 1 2.596 2 4 -9.40414960649469 695286 CCOC(=O)CSC1=NC2=C(C=C(C=C2)OC)C(=N1)C 1 2.773 2 3 -8.92257449763486 695284 CCOC(=O)CSC1=NC2=CC(=C(C=C2C(=N1)C)C)C 1 3.761 2 2 -9.60528192211579 695283 CCOC(=O)CSC1=NC2=C(C=CC(=C2)C)C(=N1)C 1 3.275 2 2 -7.68312974834918 695281 CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)C 1 2.789 2 2 -9.5052299972388 695280 CCOC(=O)CCSC1=NC2=CC(=C(C=C2C(=N1)C)C)C 1 4.01 2 2 -8.98517921180885 695276 COC1=CC=CC=C1C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 4.669 1 2 -2.11293663571438 695273 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=CO2 1 4.077 2 2 -8.67172887951878 695270 CC1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C3=NNN=N3)C 1 1.848 7 2 0 -6.56299907664466 695268 CCC1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3O2 1 2.477 4 2 -15.0477875492805 695255 C1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC=C2 1 4.677 4 0 -3.39098738969551 695240 CC(=O)OC1=C(C=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3)OC 1 3.064 1 5 -12.8810496955084 695236 CC1=C(C=C2C(=C1)C(=NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C)C 1 5.183 3 2 -5.8446997878545 695234 CC1=CC2=C(C=C1)N=C(N=C2C)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 4.697 3 2 -4.42429520538138 695232 CC1=NC(=NC2=CC=CC=C12)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 4.211 3 2 -5.8200817799956 695227 CC1=CC(=NC(=N1)NC2=NC=C(N2C3=CC(=C(C=C3)OC)OC)O)C 1 2.111 5 3 0 -4.84819550804152 695221 C1=CC(=CC=C1N2C(=O)C3=NC=CN=C3C2=O)F 1 1.2 3 2 0 -1.24970166376322 695218 CC1=CC(=CC=C1)N2C(=CN=C2NC3=NC(=CC(=N3)C)C)O 1 2.63 5 1 1.35460499936561 695208 C1CN2C(=O)C3=CC=CC=C3N=C2SC1 1 2.117 2 1 -15.0313458550047 695204 COC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=CO3 1 2.392 3 3 -6.98268589104948 695203 COC1=CC=CC=C1C(=O)NC2=NN=C(S2)C3=CC=CO3 1 2.392 3 3 -8.43342026497386 695198 CC(C)(C)C1=NN=C(S1)NC(=O)C2=CC=CS2 1 2.849 3 1 -8.45115465378474 695191 CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 2.895 3 2 -5.84259627466684 695190 COC1=CC=CC=C1C(=O)NC2=NN=C(S2)C3=CC=CC=C3 1 2.997 3 2 -9.15768444272498 695178 CC1=CSC(=N1)NC(=O)C2=CC=CC=C2 1 1.894 2 1 0 -6.204743444021 695176 C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 3.255 3 1 -5.14582132832264 695174 CC(=NNC(=O)CC1=CC=C(C=C1)OC)C2=CC=CS2 1 2.635 2 2 -8.62104698201177 695162 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CN4C=CC=CC4=N3 1 3.005 3 2 -2.5039375128991 695123 C1=CC(=CC=C1C(F)(F)F)N2C(=O)C3=NC=CN=C3C2=O 1 1.937 3 2 0 1.63418819810382 695122 CC1=CC(=CC=C1)NC(=O)C2=C(N=C(S2)C)C 1 2.391 2 1 -4.66244420519672 695115 C1CCC(CC1)C(=O)NNS(=O)(=O)C2=CC=CC=C2 1 2.036 2 3 -7.67064808236931 695113 C1CCCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O 1 3.226 2 3 -11.4349468638832 695110 C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC=CC4=CC=CC=C43 1 4.621 3 0 -3.20287793563326 695106 CCOC(=O)C1CCN(CC1)CC2=C(C=CC3=CC=CC=C32)O 1 3.246 1 3 4.36935452097516 695082 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl 1 5.852 2 0 7.7984069956807 695060 COC1=CC=CC=C1C2=NNC(=S)N2CC=C 1 2.702 3 1 -8.63114836370935 695057 CCOC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2 1 4.398 0 2 -3.32274424087365 695027 C1CN(CCN1CC2=CC=CC=N2)C(=O)CC3=CC=CC=C3 1 1.884 3 1 0 -7.10810645188447 695019 CC1(CC(=O)C(=NNC2=CC=C(C=C2)F)C(=O)C1)C 1 2.677 2 2 -7.77423236176959 695016 C1CCC(=CC1)CCNC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 4.529 1 2 -9.79755373881078 695014 C1CCC(=CC1)CCNC(=O)C2=CC=C(C=C2)F 1 3.571 1 1 -8.98095515369383 695011 COC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC2)CC3=CC=NC=C3 1 1.601 3 3 0 -2.02391128384518 695010 C1CN(CCN1C(=O)COC2=CC=CC=C2)C(=O)C3=CC=CC=C3F 1 2.166 2 3 -8.5228742220391 695007 C1CN(CCN1C(=O)C2=CN=CC=C2)C(=O)C3=CC=CO3 1 0.369 3 3 0 -7.59854694221405 695003 C1CN(CCN1C(=O)CC2=CC=CC=C2)C(=O)COC3=CC=CC=C3 1 1.995 2 3 0 -9.6351702355249 694982 C1CN(CCN1C(=O)COC2=CC=CC=C2)C(=O)C3=CC=CO3 1 1.355 2 4 0 -7.49094038267915 694979 CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC=CO2 1 1.231 2 3 0 -9.91093633526846 694973 CC1=C(SC2=C1C(=O)N(C3=NN=CN23)C4=CC=CC=C4)C 1 2.673 4 1 -8.64648140312128 694964 C1=CC=C2C(=C1)C=C(C(=C2C(=O)O)F)F 1 2.779 0 2 0.11047334254798 694963 COC1=CC=C(C=C1)C2=CN3C=CC=CC3=N2 1 2.501 2 1 0.939267505265398 694961 CC1=C(SC=C1)C=NNC(=O)CC2=CC=C(C=C2)OC 1 3.141 2 2 -4.60433967961839 694942 COC1=CC=C(C=C1)NC(=O)CCN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4 1 0.978 2 4 0 -8.5102453218656 694930 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3 1 2.766 2 3 -9.02920095838414 694929 CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C)C3=CC=CC=C3 1 3.61 3 2 2.03411055766089 694928 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CO3 1 2.161 2 4 -7.327700992688 694926 CC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C 1 3.252 2 3 -8.19554042083845 694925 CN(C)C1=NC(=NC(=N1)N(CCOC2=CC=CC=C2)C#N)N(C)C 1 1.699 7 1 0 -2.9372477071345 694923 CNC1=NC(=NC(=N1)SC)OC2=CC=CC=C2C(=O)OC 1 2.802 4 3 0 -8.17731338454006 694919 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 1.102 3 3 0 -9.75387567945628 694916 CC1=CC=CC2=C1N=C(OC2=O)C3=CC=CC=C3Cl 1 4.291 1 2 -2.52563687507784 694914 CC1=CC(=NC(=N1)N(CC(=O)OC)C#N)C 1 0.319 4 2 0 -7.78867399597068 694905 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=NN=CS3 1 1.324 3 3 0 -8.90277543050571 694902 CC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)[N+](=O)[O-] 1 4.295 4 2 -5.67098139194467 694901 C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=NC=C3 1 1.668 1 2 0 -2.5564652875851 694897 CCOC1=NC(=NC(=N1)NC2CCCC2)N3CCC(CC3)C 1 3.29 5 1 -3.33036159192452 694875 C1=CSC(=C1)CC(=O)NC2=NN=CS2 1 1.076 3 1 0 -11.3257199190697 694866 C1CCC2=C(C1)C3=C(S2)N=C(OC3=O)C4=CC=CC=C4 1 4.31 1 2 -12.6730916725915 694865 CC1=CC(=NO1)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 1.755 2 4 0 -18.3139435757357 694855 CC1=CC(=NO1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.312 3 4 0 -14.1416183045386 694854 CC1=CC=C(S1)C=NC2=C(C3=C(S2)CCC3)C#N 1 4.117 2 0 -4.39207591459064 694849 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=O)C(C)C 1 3.061 3 2 -3.54327792045888 694846 CC(C)C(=O)NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC=N3 1 2.575 3 2 -2.86165592238463 694829 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 1.44 2 4 0 -11.8138853237901 694817 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=CN=CC=C3 1 1.7 2 3 0 -5.91098754892465 694812 CC1=CC=C(O1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F 1 3.304 2 2 3.08645586129319 694792 C1=CSC(=C1)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.315 2 3 0 -17.0787281967251 694790 CC1=CC(=NO1)NC(=O)C2=CC(=C(C=C2)OC)OC 1 1.72 2 4 0 -18.0539741483703 694747 CC1=CC=CC=C1N(CC(=O)N2CCOCC2)S(=O)(=O)C 1 0.386 2 4 0 -17.8800596207892 694746 CC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2OC)S(=O)(=O)C 1 2.053 2 4 -19.1587743080707 694742 CC1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.137 1 3 -13.5932881479885 694726 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCCC3=CC(=CC=C3)Cl 1 3.637 1 3 -10.5392205087889 694720 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCC3=CC=C(C=C3)Cl 1 3.315 1 3 -11.7712894574017 694716 CCC1=C(N=C2C=C(NN2C1=O)C3=CC(=CC=C3)Br)C 1 2.714 3 1 -1.962423378538 694711 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CC3=CC=C(C=C3)Cl 1 3.778 2 1 -0.985894678661592 694701 C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.716 3 5 0 6.12869536101096e-002 694666 CCOC1=CC2=C(C=C1)N=C(S2)SCC3=CC=C(C=C3)OC 1 4.896 1 2 -5.77660247238181 694660 CC1=C(C(=C(S1)CO)SC2=CC=CC=C2)C(=O)O 1 2.859 0 3 4.54851372283444e-002 694655 CC(C)NC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C 1 -0.314 5 3 0 -28.1374150470102 694653 C1=CC=C(C(=C1)CC(=O)NC2=NC=CS2)[N+](=O)[O-] 1 1.541 3 3 0 -11.2438130377899 694651 CCOC(=O)N1CCN(CC1)C(=O)CC2=CC=CC=C2OC 1 1.471 2 4 0 -10.349868795354 694650 C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)F 1 4.218 2 0 -1.71299244535348 694649 CC(C)(C)NCC1=CC=CN1C2=C(C3=C(S2)CCCC3)C#N 1 4.301 3 0 -11.437042213843 694645 CN1C2=CC=CC=C2N=C1NCC3=CC(=C(C(=C3)OC)OC)OC 1 2.963 3 3 -5.65613045561754 694640 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC(=O)C 1 1.22 2 5 0 -7.19415179850103 694622 CN1C(=O)C(=C(N=C1SC)C2=CC(=C(C=C2)OC)OC)C#N 1 2.215 3 3 -4.66031633344013 694617 C1=CC=NC(=C1)CCNC(=S)NC2=CC=C(C=C2)Cl 1 4.072 3 0 -8.10886546478071 694613 CC1=C(C=C(C=C1)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2)C 1 4.259 2 2 -8.31309145312386 694611 CCC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 4.228 2 2 -8.61364650564653 694608 C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 3.286 2 2 -9.33826893438919 694600 CC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)C 1 2.71 2 2 -13.4635809168265 694598 CC1=CC(=NC(=N1)SCC(=O)C2=CC(=C(C=C2)O)C(=O)OC)C 1 2.548 2 4 -6.39678813731563 694586 CC1=CC(=NC(=N1)SCC(=O)C2=C(C=C(C=C2)F)F)C 1 3.346 2 1 -3.80084608582517 694572 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=CC=C3 1 0.536 5 3 0 -19.9058060704757 694571 CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-] 1 4.282 2 3 -4.24162478606864 694570 CC(C)N1C2=C(CCCC2)C(=S)N=C1C3=CC=CC=C3 1 4.317 2 0 -7.47283104205629 694565 COC1=NC(=NC(=N1)NCCN2CCOCC2)NC3=CC=CC=C3 1 1.567 6 2 0 -6.13432020964061 694562 C1CCC(C1)OC(=O)NC2=CN=CC=C2 1 1.845 2 2 0 -4.54155279626441 694547 CN(C)C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2 1 3.251 4 1 -3.8269982135313 694545 COC1=CC(=CC(=C1)C(=O)N2CCCC3=CC=CC=C32)OC 1 3.318 1 3 -11.0331569520638 694544 COC1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OC)OC 1 2.437 1 5 -13.6758754133774 694543 COC1=C(C=C(C=C1)C(=O)N2CCCC3=CC=CC=C32)OC 1 3.318 1 3 -12.7015053208173 694542 C1=CC=C(C=C1)CCNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.501 2 3 -6.58272651982879 694540 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC=C(C=C3)F 1 2.239 4 3 0 -10.3029975372621 694536 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.679 3 3 -3.09842600397305 694533 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CS3 1 2.81 2 2 -8.21062130908313 694532 CN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)C(=O)N(C)C3=CC=CC=C3 1 3.811 2 2 -5.41187431524409 694528 C1CN(CCC1NC(=O)C2=CC=CC=C2Cl)CC3=CC=CC=C3 1 3.396 2 1 -2.66816742360947 694524 C1=CN2C=C(N=C2N=C1)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-] 1 2.477 6 2 0 -2.12122763368607 694497 C1CCN(CC1)C(=O)NC2=CC=C(C=C2)Br 1 2.817 2 1 -5.03724502112716 694476 C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.17 3 3 -6.2584980486238 694464 C1CCC(CC1)OC(=O)NC2=CN=CC=C2 1 2.301 2 2 -4.89602131043249 694452 CC(=C)CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C 1 1.302 5 2 0 -9.23081910274241 694451 C1=CC=C2C(=C1)C=CC(=N2)SCN3C(=O)C4=CC=CC=C4N=N3 1 4.73 4 1 -14.8009439888453 694431 CC(C)CCN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C 1 1.819 5 2 0 -7.12529057607774 694419 CN1C2=C(C(=O)NC1=O)N(C=N2)CCN3CCOCC3 1 -0.48 5 3 0 -10.3879571884594 694417 CCOC(=O)CC1=CSC2=NC3=C(C(=C(S3)C)C)C(=O)N12 1 2.344 2 3 -18.0078505256294 694416 COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.359 2 4 -9.09791492772372 694414 CN1C(=NNC1=S)C2=C(C3=CC=CC=C3S2)Cl 1 3.919 3 0 0.139040677528921 694380 C1CN(CC2=CC=CC=C21)S(=O)(=O)/C=C/C3=CC=CC=C3 1 2.547 1 2 -4.96934281849081 694373 C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 1.235 2 4 0 -16.8879970475078 694372 CCCC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=C(C=C3)Br 1 2.792 3 1 -1.30328335645536 694365 C1CCN(C1)C(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.237 2 1 -7.21105069472963 694360 C1CC1C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SCC(=O)N 1 3.005 3 1 -15.5360304526456 694357 C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC=CC=C2Br 1 4.243 2 1 -9.07342191927791 694350 CC1=C(N=CC=C1)NC(=S)NC(=O)C2=CC=CS2 1 3.594 3 1 -7.0757194321446 694345 CC1=C(C=C(S1)/C=C\2/C(=NOC2=O)C3=CC=CC=C3)Br 1 4.234 1 2 4.61898041593242 694333 CCSC1=C(C(=CC(=N1)C2CC2)C3=CC=CO3)C#N 1 3.942 2 1 -6.90673816104451 694306 CCN1C(=C([C@@H](NC1=O)C2=CC(=CC=C2)C(F)(F)F)C(=O)OC)C 1 2.561 2 3 -14.6156139640159 694299 CCN1C(=C([C@@H](NC1=O)C2=CC(=CC=C2)F)C(=O)OC)C 1 1.825 2 3 0 -15.9464284806899 694267 C1=CN2C=C(N=C2N=C1)CSC3=CC=C(C=C3)Cl 1 3.19 3 0 4.07952465887025 694255 C1CCN(C1)C2=NC(=O)/C(=C/C=C/C3=CC=CC=C3)/S2 1 3.337 2 1 1.19158730590335 694200 C1CC2=C(C1)NC(=O)N(C2=O)CC3=CC=CC=C3 1 1.89 2 2 0 -9.29034774082453 694208 CC1=CC=CC=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.804 3 3 -20.7332433027901 694232 CC1=CC=C(O1)C=NNC(=O)CSC2=NC3=CC=CC=C3S2 1 3.243 3 2 -9.38081195257717 694212 CN1C(=O)C(=C(N=C1SC)C2=CC=C(C=C2)N(C)C)C#N 1 2.41 4 1 -3.13405847099017 694197 CCC(C)(C)N1C(=O)C2=C(CCC2)NC1=O 1 1.761 2 2 0 -11.0619278737099 694194 C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CN=CC=C3 1 2.167 4 3 0 -21.1459229343787 694189 C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CO3 1 2.713 3 4 0 -17.6221697512817 694186 C1CCC(CC1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.78 3 3 -19.2965503961563 694184 C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3 1 2.391 1 2 -12.6526616809942 694179 CC1=NN(C2=C1C=C(S2)C(=O)N3CCCCC3)C4=CC=CC=C4 1 3.701 3 1 -9.32921351823043 694155 CN1CCN(CC1)C(=O)COC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.596 2 3 -1.91425533222701 694150 CC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3S2)C 1 4.34 2 0 4.66767416454274 694143 COC1=CC(=C2C(=C1)C=CC=N2)NC(=O)C3=CC=CC=C3Cl 1 3.449 2 2 -6.18021429557219 694141 CC1=CC(=CC(=C1)CSCC(=O)NN=C2CCCCCC2)C 1 4.237 2 1 -12.5118161167338 694131 CC1CCN(CC1)C2=NC3=NON=C3N=C2NC4=CC=C(C=C4)F 1 2.397 6 1 0 -13.1306151488298 694126 C1CCCC(=NNC(=O)CSC2=NC=CC=N2)CC1 1 2 4 1 0 -12.488365167557 694121 CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=CC(=C2)C 1 4.21 2 2 -12.7802711016173 694109 C1CN(C2=CC=CC=C21)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.789 2 3 -12.7875647010786 694100 CC1=C(C(=CC=C1)C)N(CC(=O)OC)S(=O)(=O)C 1 1.626 1 4 0 -11.1171202303096 694087 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NCC3=CC=CO3 1 2.841 5 2 0 -1.77140626811443 694064 CCCC1=C(C(=C(C(=N1)NC(=O)C)C#N)C2=CC=CO2)CC 1 3.479 3 2 -6.25786557022782 694059 C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CN=CC=C2 1 2.123 4 1 -8.47167224532829 694035 CC1=NC2=C(C=C(C=C2)Br)C(=C1)C(=O)NN 1 1.557 3 1 0 -1.05923795183202e-002 694028 COC1=CC=CC=C1NC(=S)NCC2=CC=CO2 1 3.261 2 2 -11.6861372497658 694026 CC1=CC=CC=C1NC(=S)NCC2=CC=CO2 1 3.763 2 1 -10.7191152782028 694009 COC1=CC=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.012 2 5 0 -6.43770899555165 694001 C1=COC(=C1)CNC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.217 2 5 0 -8.75806358579451 693996 C1=CC(=CN=C1)CNC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 0.885 3 4 0 -9.12746631166127 693993 C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 2.353 3 2 1.38591245639771 693975 CC(C)C(C(C)C)NC(=O)CSC1=CC=C(C=C1)Cl 1 4.508 1 1 -5.99486275734038 693948 C1CCC(CC1)NC(=S)NCC2=CC=CC=C2 1 4.099 2 0 -9.64255646694944 693946 C1CN(CC2=CC=CC=C21)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5 1 4.99 3 0 -0.989845821088576 693933 C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC=C(C=C3)Br)N 1 4.136 3 0 0.643890105877341 693932 C1=CC(=CC=C1C(=O)NN2C=NN=C2)[N+](=O)[O-] 1 0.127 5 3 0 -7.96205047419934 693928 CCN1C(=NNC1=S)C2=CC=C(C=C2)C 1 2.936 3 0 -2.5239590405178 693923 C1COCCN1C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4 1 3.019 3 1 -2.15023670733575e-002 693917 C1=CC=C(C=C1)C2=CSC3=C2C4=NN=NN4C=N3 1 1.572 5 0 0 -8.40303585919099 693913 C1CN(CC2=C1C3=C(S2)N=CNC3=O)CC4=CC=CC=C4 1 2.346 3 1 -9.73119225063768 693869 C1=CC(=CC=C1OCC(=O)NC2=NC=CS2)F 1 1.652 2 2 0 -5.54833690140689 693853 C1CN(CCC1O)C(=S)NCCC2=CC=CC=C2 1 2.531 2 1 -10.7023150502683 693852 CC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)O)C 1 3.453 2 1 -10.9358714922276 693841 C1=CC(=CN=C1)NC2=NC(=CS2)C3=CC=CS3 1 2.489 3 0 5.15303069981695 693837 CC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)O2 1 2.261 2 3 -9.10985418590846 693819 CC1=C(C=C(C=C1)[N+](=O)[O-])N=CC2=CC=C(S2)Br 1 4.328 2 2 6.28540129847975 693810 CC1=CC(=CC=C1)NC(=S)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 5.131 4 2 -5.09686077027411 693802 CC(=O)NC1=NC(=CS1)C2=CC=CS2 1 1.847 2 1 0 -0.761193707114101 693760 CC1=CC(=C(C=C1)C)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 4.061 2 4 3.34014064076179 693688 CC(C)CNC1=C(N=C(O1)C2=CC=C(C=C2)F)C#N 1 3.29 3 1 -0.365354372174221 693626 CC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)NC(=O)C2=CN=CC=C2 1 3.612 2 3 -8.448416156319 693631 C1=CC(=CC(=C1)NC(=O)C2=CN=CC=C2)NC(=O)C3=CN=CC=C3 1 1.098 4 2 0 -6.77893983174222 693664 C1COCCN1CCNC2=C(N=C(O2)C3=CC=C(C=C3)F)C#N 1 1.924 4 2 0 -0.894119819620192 693660 COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=C(C=C3)F)C#N 1 3.823 3 2 2.83820095466809 693659 COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=CC=C3)C#N 1 3.618 3 2 1.65180751288764 693642 CC1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)F)C#N 1 3.621 3 1 -1.62368594183095 693639 CC1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)C)C#N 1 3.901 3 1 -2.33556296729621 693636 C1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)F)C#N 1 3.369 3 1 -0.215287747822027 693633 CCNC1=C(C=CC(=C1)S(=O)(=O)C(F)(F)F)N 1 2.903 2 2 -3.13687703413415 693598 C1=CC=C2C=C(C=CC2=C1)C=NC3=CC=CC=C3C(=O)N 1 3.337 2 1 5.42387367168696 693499 CC(=O)NC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCC3=CC=CC=C3 1 4.113 2 2 0.839715349646506 693479 C1=CC=C(C=C1)COC2=CC=CC=C2C=NNC(=S)N 1 3.366 3 1 -2.96402662788919 693468 CC1=C(C=CC=C1Cl)N=CC2=CC=C(S2)[N+](=O)[O-] 1 4.549 2 2 9.46519043595043 693450 COC1=CC=C(C=C1)N=CC2=C(C=CC3=CC=CC=C32)OC 1 4.302 1 2 11.3037660387607 693431 COC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.469 3 4 0 -3.09781963498109 693427 CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C(=C2)C(C)C)O)C(C)C 1 5.247 1 2 -2.81502315245185 693418 CC1=CC(=NS(=O)(=O)C2=CC=CC=C2)C(=CC1=O)C(C)C 1 3.7 1 3 -2.89247400192888 693414 CC1=C(C(=C(C=C1NS(=O)(=O)C2=CC=CC=C2)Cl)O)C 1 3.712 1 3 2.25550535194153 693393 CC1=CC(=CC(=C1O)Cl)NS(=O)(=O)C2=CC=CC=C2 1 3.226 1 3 -0.339614675508547 693389 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2C)O)Cl 1 3.712 1 3 1.53053644267877 693386 CC1=C(NC2=C1C=C(C=C2)C(=O)O)C 1 2.385 1 2 1.93996491086903 693383 C1=CC=C(C(=C1)[N+](=O)[O-])OC(=O)C2=CN=CC=C2 1 2.005 2 4 -10.0345506853112 693381 CC1=CC(=CC(=C1)N=CC2=CC=C(S2)[N+](=O)[O-])C 1 4.371 2 2 8.67174029412839 693378 CSC1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)Cl 1 3.889 2 1 -4.14778713206845e-002 693371 COC1=CC=CC(=C1)C(=O)NC(=S)NCC2=CC=CO2 1 2.66 2 3 -12.30805541456 693357 C1=CC(=C(C=C1Cl)Cl)N=CC2=CC=C(S2)[N+](=O)[O-] 1 4.727 2 2 11.3069015576662 693353 CC(=O)NC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)NC(=O)C 1 1.9 2 4 0 -9.46879839507478 693345 CC(C)C1=NC2=CC=CC=C2N1CCC(=O)O 1 2.671 2 2 -7.89257609194672 693344 C1=CC=C(C=C1)CN2C3=NC=NC(=S)C3=CN2 1 1.209 4 0 0 0.513857290821605 693331 CC1=CC(=C(N1C2CC2)C)C=O 1 1.669 1 1 0 -3.72669908376157 693329 CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)O 1 1.978 0 5 0 -0.776010324412341 693314 CC1=CC(=CC=C1)NC(=S)NN=C(C)C2=CC=CO2 1 3.947 3 1 -3.03381143650809 693302 CC(=NNC(=O)C1=CC=CS1)C2=CC(=CC=C2)N 1 1.87 3 1 0 -7.16528433225824 693288 CN1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)N 1 2.145 3 0 7.00347550851159 693281 C1=CC=C2C(=C1)C(=CN2)SC3=CC=CC=C3N 1 3.495 2 0 1.11040364805895 693266 CC1=CC(=CC=C1)NC(=S)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 4.544 4 2 9.29721982203643e-002 693260 CC(=NNC(=O)C1=CC(=CC=C1)Br)/C=C/C2=CC=CC=C2 1 3.87 2 1 -4.09536989239627 693255 C1=CC=C(C(=C1)C2=NC(=C3N2C=CC=C3)C=O)Cl 1 3.369 2 1 0.461518061886899 693230 COC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)N 1 3.066 1 3 2.94665014395141 693206 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)O)C 1 2.114 2 2 -4.52700116888281 693198 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)O 1 4.218 3 1 11.1461934505387 693197 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC=C4)O 1 4.218 3 1 12.093429198889 693194 C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)O 1 2.598 3 1 9.93644192207953 693193 C1=CC(=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)Br)C(=O)O 1 3.218 3 2 5.94958852550424 693183 C1=CC=C2C=C(C=CC2=C1)C=NNC(=S)N 1 2.708 3 0 -1.49859344485556 693120 C1=CC2=C(C(=C1)SCC(=O)O)N=CC=C2 1 2.039 1 2 -8.09822689487812 693112 COC1=CC=C(C=C1)C(=O)C2=NC=CC3=CC=CC=C32 1 3.404 1 2 -3.35547939619808 693081 C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C(=O)O 1 2.47 3 2 4.18028036167641 693078 CC1=C(C=C(C=C1)Cl)NC(=O)CCC(=O)O 1 1.946 1 3 0 -8.89907662401929 693071 CCOC1=CC=CC=C1NC(=O)CCC(=O)O 1 1.128 1 4 0 -13.6487443233296 693070 C1CCC(CC1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.414 1 1 -3.25140881635432 693069 COC1=CC=CC=C1NC(=O)CCC(=O)O 1 0.779 1 4 0 -12.8554935744496 693068 C1=CC(=CC(=C1)F)C(=O)NC2=CC=NC=C2 1 1.669 2 1 0 -3.63739662346002 693067 C1COCCN1CCNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.382 2 2 -6.03452928847984 693062 C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O 1 2.509 1 5 -16.6603394539685 693030 C1=CC=C(C(=C1)N)SCC2=CN3C=CC=NC3=N2 1 1.779 4 0 0 -3.30245418211422 693023 CCC1=NC(=NN1)SCC(=O)C2=CNC3=CC=CC=C32 1 3.129 4 1 -2.50894603657269 693022 CC1=NC(=NN1)SCC(=O)C2=CNC3=CC=CC=C32 1 2.462 4 1 -2.25587254495654 693014 CCC1=NC(=NN1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.73 4 3 0 -7.25859575277725 693013 COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)F)OC)Cl 1 3.451 1 3 -9.23715322620455 693012 CC1=NC(=NN1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.063 4 3 0 -7.0055222611611 693010 COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.875 2 3 -5.95792787856656 693000 C1CN(C2=CC=CC=C21)C(=O)C3=CC=C(S3)Cl 1 3.307 1 1 -6.29268158711164 692978 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=CO3 1 2.474 2 2 0.208561249121388 692974 CCOC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CO3 1 2.781 2 3 3.24453128022146 692969 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)OC(=N3)C4=CC=CS4 1 3.445 3 2 -6.35778176673494 692962 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)OC(=N3)C4=CC=CC=C4F 1 3.697 3 2 -4.75805349873935 692942 C1=CC=C(C=C1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)O2 1 3.491 3 2 -4.40085964255927 692916 CC(=C1C(=O)CC(CC1=O)(C)C)NCCN2CCNCC2 1 0.243 3 2 0 -15.5039273611769 692915 COC1=CC=C(C=C1)C=NNC(=O)CN2CCCC2 1 1.469 3 2 0 -5.13779875524524 692885 CCS(=O)(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C 1 0.182 3 3 0 -15.2476132965695 692882 COC1=CC=C(C=C1)C2=NN=C(S2)N 1 1.466 3 1 0 1.67201017577363 692809 CCC1=C(C=C(C(=C1)C(=O)CC2=CC=CC=N2)O)O 1 3.005 1 3 3.82830791866562 692803 COC1=CC(=C(C=C1)C(=O)CC2=CN(N=C2)C3=CC=CC=C3)O 1 3.237 2 3 9.0411939916507 692802 CC1=CC(=CC(=C1C(=O)CC2=CN(N=C2)C3=CC=CC=C3)O)O 1 3.497 2 3 8.19519014493102 692800 CN(CC1=CC=CC=C1)C(=O)CC2=CC=CC=C2 1 2.862 1 1 -6.69506826818437 692799 CC(C)C1=CC=C(C=C1)NC2=NC(=NC(=N2)OC)OC 1 3.582 4 2 -3.14142271315316 692758 CC(=O)OC1=CC2=C(C=C1)C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.802 2 6 0 -8.98127282256636 692750 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.305 1 5 -10.3813949715549 692746 C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)F)F 1 3.094 2 1 -4.83395017268747 692741 CC(=NNC(=O)C1=CC=CC=C1)/C=C/C2=CC3=C(C=C2)OCO3 1 2.89 2 3 -6.73032335273199 692738 C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.796 2 3 -12.3126088030241 692729 CCOC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 3.054 1 5 -10.6925598430424 692728 CC1=CC=CC=C1C(=O)NN=CC2=CC=CC3=CC=CC=C32 1 4.078 2 1 -4.571458957304 692712 COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=O)N 1 1.892 4 5 0 -3.89503025020413 692711 CC(C)C1=NN2C(=CC(=O)N=C2S1)O 1 2.069 3 2 -10.7553675585245 692710 CCSC1=NC2=CC=CC=C2N1CC3=CC(=CC=C3)[N+](=O)[O-] 1 4.461 3 2 -9.21278002655056 692689 C1=CC=C2C=C(C=CC2=C1)C(=O)NCC3=CC=CO3 1 2.711 1 2 -6.47814060862536 692671 COC1=CC=C(C=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.834 1 4 -5.727209616923 692663 CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.169 3 3 -9.92300704449144 692657 C1CC2=CC=C3C4=C(C=CC1=C24)C(=O)N(C3=O)C5=CC(=CC=C5)O 1 3.706 1 3 -0.209801090601119 692606 C1=CC=C(C(=C1)/C=C/C(=O)NC2=CC(=CC=C2)O)Cl 1 3.504 1 2 0.533760112362302 692594 C1CCC(CC1)NC(=O)/C=C/C2=CC=CC=C2Cl 1 4.028 1 1 -5.61373338285654 692586 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.927 1 2 -10.5972079144794 692527 C1=CC=C(C(=C1)/C=C/C(=O)NCC2=CC=CO2)Cl 1 2.935 1 2 -5.84336488425945 692525 C1COCCN1C(=O)/C=C/C2=CC=CC=C2Cl 1 2.063 1 2 -4.6132800719864 692523 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC(=CC=C3)OC 1 3.213 3 3 -7.6349714688135 692477 C1=CC(=CC=C1/C=C/C(=O)NC2=NC=CS2)Cl 1 2.744 2 1 -3.251471347303 692468 C1CCN(C1)C2=NC(=O)/C(=C/C3=CC(=CC=C3)Br)/S2 1 3.618 2 1 -2.78372988034863 692461 C1COCCN1C2=NN3C(=NN=C3C(F)(F)F)C=C2 1 0.971 5 1 0 -3.59825120580481 692406 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.138 4 5 0 -13.9335450531484 692393 C1=COC(=C1)CNC(=O)/C=C/C2=CC=C(C=C2)Cl 1 2.935 1 2 -5.67083325741942 692389 C1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC=C(C=C2)Cl 1 4.075 1 1 -4.80023410314505 692386 C1COCCN1C(=O)/C=C/C2=CC=C(C=C2)Cl 1 2.063 1 2 -4.53814267167115 692360 COC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 2.832 2 5 0 -10.4419231142018 692353 CC1=NN(C(=C1C(=O)O)CC(=O)C)C2=CC=CC=C2 1 2.025 2 3 -4.83334760849121 692347 C1CCC(CC1)C2=NC(=S)NN2 1 2.358 3 0 -1.96088122918779 692344 C1=COC(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)Br 1 3.939 2 2 -5.9320504540842 692341 CCOC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)N 1 1.928 3 2 0 -9.73033556817121 692333 CC1=NC(=CC=C1)N2C(=O)CCC2=O 1 0.661 2 2 0 -4.58510563713352 692331 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O 1 0.62 1 4 0 -10.7113756269322 692311 C1CCC(CC1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.727 3 2 -8.58994565993806 692309 C1=CC=C(C=C1)CNC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 2.983 2 3 -8.58115430684588 692302 CC(C)N(C(C)C)C(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-] 1 3.058 2 3 -5.32790458758564 692293 CC1=NC(=CC=C1)N2C(=O)C3=CC=CC=C3C2=O 1 2.11 2 2 -2.28102109615957 692270 CCOC(=O)C1=C(N(N=C1)C2=NC(=CC(=N2)C)C)N 1 0.946 5 2 0 -7.45391964647886 692265 CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CC=N3 1 0.43 9 2 0 -23.4398028666463 692259 C1=CSC(=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.554 3 5 0 -12.5412774032032 692256 C1CC(=O)N(C1=O)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 2.12 2 3 -6.59797177464432 692244 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=CC=CC3=C2N=CC=C3 1 3.828 2 4 -8.02588764412664 692238 CC1=C(C=CC(=C1)C(=O)N2CCCC3=CC=CC=C32)[N+](=O)[O-] 1 3.732 2 3 -12.1979140660118 692233 C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2Cl 1 3.607 1 1 -7.95787991682264 692231 CC(=NNC(=O)C1=NON=C1N)C2=CC=CS2 1 0.642 5 2 0 -16.735137329306 692225 CC1=C(C=CC(=C1)OCC(=O)N(C)CC2=CC=CC=C2)Cl 1 3.813 1 2 -6.5358220217517 692222 CC1=CC(=CC(=C1Cl)C)OCC(=O)N(C)CC2=CC=CC=C2 1 4.299 1 2 -6.1386391563824 692217 CN(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.711 2 3 0 -10.6592037234677 692216 CC1=C(C=CC(=C1)OCC(=O)N(C)C2CCCCC2)Cl 1 4.088 1 2 -5.63205050488498 692214 CC1=CC(=CC(=C1Cl)C)OCC(=O)N(C)C2CCCCC2 1 4.574 1 2 -5.31030155653377 692210 CC(C)C(C#CCN1CCCCC1)(C(C)C)O 1 3.556 1 1 -0.256845411225386 692209 CN(C1CCCCC1)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 2.234 2 3 -11.8886529243613 692203 C1=CC=C(C=C1)OC(=O)OC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3 1 4.937 0 5 -7.35964810588178 692199 CCOC(=O)NC1=CC2=C(C=C1)OCO2 1 1.71 1 4 0 -6.01372835710371 692198 C1OC2=C(O1)C=C(C=C2)NC(=O)OC3=CC=CC=C3 1 2.938 1 4 -4.06603165367039 692194 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CS3 1 2.336 1 3 -7.62915858001608 692193 CC1=C(N=NN1C2=NON=C2N)C(=O)OCC3=CC=CC=C3 1 1.738 6 3 0 -22.5547470065489 692191 C1=CC=C(C=C1)OC(=O)NCC2=CC=CO2 1 2.358 1 3 -7.01658409687269 692185 CCOC(=O)NC1=C(C=C(C=C1)C)Br 1 3.177 1 2 -5.25597402620396 692182 CC1=C(N=NN1C2=NON=C2N)C(=O)OC(C)C 1 0.88 6 3 0 -24.5472276175504 692180 CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)COC2=CC=C(C=C2)C 1 2.569 1 5 -11.4081849039533 692177 CCOC(=O)NC1=C(C(=CC=C1)Cl)C 1 3.093 1 2 -2.81696525003909 692156 CC1=C(C=C(C=C1Cl)N2C=NN=N2)[N+](=O)[O-] 1 1.761 5 2 0 -13.363035233306 692153 CC(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCCCC3 1 2.088 4 2 -9.40731476827767 692130 CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2NC=N3 1 1.418 5 2 0 -4.33451594146207 692108 CC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=CO2 1 3.163 2 2 -11.2498630286301 692103 CC1=CC2=NSN=C2C(=C1C)S(=O)(=O)NCC(=O)O 1 1.323 3 4 0 -7.50512066878386 692092 C1=CC=C(C=C1)CCNC(=S)NC(=O)C2=CC=CC=C2 1 3.816 2 1 -11.5360098561061 692065 C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=S)N 1 3.004 3 1 -0.390916712638565 692041 COC1=C(C=CC(=C1)SC)C(=O)NC2=NC=C(C=C2)Cl 1 3.192 2 2 -0.245081256059274 692025 C1CCN(C1)C2=NC(=O)/C(=C/C3=CC=CC=C3)/S2 1 2.869 2 1 -5.07832069708254 692019 C1=CC(=CC=C1C2=CC=C(O2)C=NNC(=S)N)[N+](=O)[O-] 1 2.899 4 3 0 -2.42224814659432 692016 COC1=CC(=C(C=C1C(=O)OC)Cl)NC(=O)C2=CC=C(C=C2)F 1 3.323 1 4 -8.59557922910844 692014 C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)F 1 1.832 2 2 0 -10.9468247427334 692012 CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)C)N 1 2.128 3 1 -2.45415105158409 692001 CN1C(=NN=N1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 1.685 5 3 0 -17.9295804470963 691990 C1=CC=C(C(=C1)NC2=CC=CC=N2)NC3=CC=CC=N3 1 3.707 4 0 1.53234998214956 691988 CN(C)C1=CC=C(C=C1)C(=S)N2CCCCC2 1 3.747 2 0 -5.87017241764567 691987 CN(C)C1=CC=C(C=C1)C(=S)N2CCOCC2 1 2.517 2 1 -7.43846886742126 691977 C1=CC(=CC=C1C2=CC=C(O2)C=NO)[N+](=O)[O-] 1 2.756 2 4 3.87738576591385 691953 CC1=C2C(=CC=C1)N=C3C(=N2)C4=CC=CC=C4C3=O 1 3.73 2 1 2.97615934248633 691951 C1=CC=C(C=C1)C=NNC(=S)N 1 1.799 3 0 0 -3.59014204324499 691947 C1=CC=C(C=C1)CC(=O)NNC(=O)C2=CC=CS2 1 1.859 2 2 0 -10.5926681018957 691943 CC1=CC=C(C=C1)C(=O)NNC(=O)CC2=CC=CC=C2 1 2.392 2 2 -8.45872501075677 691931 CCC1=CC=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2 1 2.116 2 2 -4.66538859945711 691928 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCC3=CN=CC=C3 1 1.5 2 3 0 -16.2135717749226 691926 C1=COC(=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.362 2 4 -10.6665966658816 691923 CC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)[N+](=O)[O-] 1 2.183 2 4 -12.8184238641397 691921 CC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCCCC3 1 3.812 2 1 -5.26084539416626 691910 C1CCN(CC1)S(=O)(=O)C2=C(C(=CC=C2)Cl)Cl 1 3.193 1 2 -9.86531701433281 691896 COC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)N=CC4=CC=CC=C4)O 1 4.394 3 2 5.72422946449545 691890 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=S)N 1 2.899 4 3 0 -2.66868733258325 691879 CC1=CC=C(C=C1)C(=O)N2CCN(C2)C(=O)CN3CCOCC3 1 0.623 3 3 0 -9.98797288539026 691878 CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CN=CC=C3 1 1.e-003 9 2 0 -24.8640247877848 691869 CC1=C(N=NN1C2=NON=C2N)C(=NN=CC3=CC=CC=C3F)C 1 2.15 8 1 0 -15.8642436832589 691868 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NN=CS2 1 0.903 4 3 0 -21.2216597351059 691844 COC1=C(C=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCCCC3)OC 1 3.293 2 3 -9.89259669957762 691841 CCOC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCCCC3 1 3.658 2 2 -6.44003475501843 691831 CC1=C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2Cl 1 3.252 1 2 -2.13950716758255 691830 CCC1=CC=C(C=C1)C=NN2C(=CC(=C(C2=O)C#N)C)C 1 3.268 3 1 -4.73107665577103 691782 CC1=CC(=NC2=C1C(=C(S2)C(=O)OC=C)N)C 1 1.993 2 2 0 -5.18445034214146 691776 C1CCN(CC1)CP(=O)(CCC2=CC=NC=C2)O 1 1.402 2 2 0 -0.813918115113848 691775 CC1=CC(=NC(=N1)SCC(=O)NC2=NC=CS2)C 1 1.312 4 1 0 -13.0862153931802 691766 CC1=CC(=NC=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.383 3 3 -6.76942297573723 691759 CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 3.186 3 3 -12.0195692279576 691746 C1=COC(=C1)/C=C\2/C(=O)OC(=N2)C3=CC=C(C=C3)Br 1 3.456 1 3 -5.52056238643465 691744 COC1=C(C=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=CC=C3)OC 1 2.422 3 4 0 -7.2182814565187 691740 CC1=C(N=NN1C2=NON=C2N)C(=NN=CC3=CC(=CC=C3)F)C 1 2.15 8 1 0 -14.8882172927264 691732 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O 1 3.022 2 3 -12.9982442794656 691731 CCOC(=O)C1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32 1 3.042 1 4 -3.52026129092119 691728 COC1=CC(=CC(=C1)C(=O)NC2CCCCCCC2)OC 1 3.776 1 3 -9.27269958848561 691721 CC1=CC=CC=C1C(=O)NN=CC2=CC=C(O2)SC3=CC=CC=N3 1 4.196 3 2 -9.8746408310803 691704 CC1=NON=C1C2=CSC(=N2)N 1 0.542 4 1 0 2.25767881090258 691702 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)COC3=CC=CC=C3 1 2.002 6 4 0 -23.2507669417488 691684 CSC1=C(C(=NS1)SC)NC(=O)N2CCCC2 1 2.372 3 1 -8.32964281083332 691683 C1=CC(=CC=C1N=C2C(=NSS2)Cl)Cl 1 4.079 2 0 8.80143543965198 691671 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCCCC2 1 2.496 2 3 -13.8695126810563 691667 CC1=CC(=CC=C1)NC2=NC(=S)N(C23CCCCC3)CC#N 1 4.451 4 0 -1.09957045286897e-002 691664 C1CSCCN1C(=S)SCCN2CC3=CC=CC=C3C2=O 1 3.453 2 1 -10.143672013903 691624 CC1=CC(=C(C(=C1)C)N=CC2=CC(=C(C=C2)OC(=O)C)OC)C 1 4.636 1 3 -1.3809954470068 691620 C1OC2=C(O1)C=C(C(=C2)C=NC3=CC=CC=C3)[N+](=O)[O-] 1 3.089 2 4 2.49124223306976 691575 C1=CC=C(C=C1)CCC(=O)NN=CC2=CC(=CC=C2)O 1 2.932 2 2 -6.26954655637166 691574 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)C(F)(F)F 1 1.364 2 2 0 -6.41720968308145 691572 CC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)NCC3=CC=CO3 1 2.901 1 3 -3.78243630780896 691568 C1=CC=C2C(=C1)N=NN2S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.456 3 2 -5.10459345234993 691567 CC1=C(N=CC=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.519 2 3 -10.3240930034488 691566 CC1=C(OC(=C1)C(=O)NC2=CC3=CC=CC=C3C=C2)C 1 3.55 1 2 -0.263185899069756 691554 C1=CC=C(C(=C1)[N+](=O)[O-])OC2=CC=CC(=C2)C(=O)O 1 2.914 1 5 -3.76117644723055 691533 CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=NC=C3 1 1.e-003 9 2 0 -25.0646913879846 691499 CC1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)Cl 1 3.606 3 2 2.95530033031995 691467 CCOC(=O)N1C2=CC=CC=C2N=C1SCC(=O)N 1 2.264 3 3 -7.74179412882606 691436 C1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 1.4 3 5 0 -17.9006532174865 691428 CC(=O)N(C)C1=CC=C(C=C1)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 2.415 3 5 0 -1.35657051777265 691379 C1COCCN1C2=NC(=O)/C(=C/C3=CC=CS3)/S2 1 2.049 2 2 -8.38196664735123 691378 C1COCCN1C2=NC(=O)/C(=C\C3=CC=CS3)/S2 1 2.049 2 2 -8.38196664735123 691373 C1CCC(CC1)NC(=O)OC2=C(C=C3C(=C2)OC(=O)S3)Cl 1 4.832 1 4 -3.00362165719181 691368 CC1=C(C=C(C=C1)N=CC2=CC=C(C=C2)N(C)C)C 1 4.561 2 0 5.22491503111838 691338 C1COCCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl 1 2.643 2 4 -4.74201502792025 691337 C1=COC(=C1)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl 1 3.826 1 2 -3.53077426234599 691328 CCOC(=O)C1=C(NC(=O)N1)COC(=O)C2=CC3=CC=CC=C3O2 1 1.288 2 6 0 -6.68104683723391 691323 C1=CC2=C(C=C(C=C2)C=NNC(=O)C3=CC=CO3)N=C1 1 2.264 3 2 -4.03542204453068 691317 C1=CC=C(C=C1)C=NN2C3=CC=CC=C3C4=CC=CC=C42 1 5.174 2 0 3.31536655743368 691300 C1CC(=O)N(C1=O)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 -1.245 3 5 0 -16.4295963506129 691299 CC(=O)C1=C(NC(=NC1=S)C2=CC=CC=C2)N3CCCC3 1 2.715 3 1 -4.34132338560202 691297 CC1(CC(=O)C(=C(N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C1)C 1 1.098 3 5 0 -12.9303802444197 691295 CC1=C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.482 2 4 -5.20869842669919 691293 CC1=CC=C(C=C1)C2=C(NC(=C2C(=O)OC)C)C 1 3.074 1 2 -2.05241699705172 691261 C1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)C4=CC=CC=C4 1 3.367 6 2 0 -19.171518090642 691260 CC(C)(C)C1=NNC(=C1)CC2=CC=CC=C2 1 3.947 2 0 -1.89245168160181 691257 C1=CC=C(C(=C1)C(=O)/C=C(\C(F)(F)F)/N)O 1 1.687 1 2 0 3.10652855485192 691249 CC1=CC2=C(C=C1)C(=O)C=C(O2)C(F)F 1 2.552 0 2 0.228844602739745 691246 CC1=C(OC(=C1C#N)N=CC2=CC(=CC=C2)[N+](=O)[O-])C 1 3.059 3 3 -1.21864165352051 691243 C1COC2(O1)C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=C(C=C4)Cl 1 2.645 1 4 -8.14209212122348 691241 CC(=C)CN1C2=CC=CC=C2C3(C1=O)OCCO3 1 1.788 1 3 0 -11.5871192472504 691240 CC(=C)CN1C2=C(C=C(C=C2)Br)C3(C1=O)OCCO3 1 2.537 1 3 -9.70764956991972 691239 C1=CC=C2C(=C1)C3=NC=CN=C3C(=O)O2 1 1.506 2 2 0 -0.924502111160172 691226 COC1=CC2=C(C=C1)C(=NOC(=O)C3=CC=CC=C3OC)CCC2 1 3.873 1 4 -1.39715570194877 691220 CC1=C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.482 2 4 -3.95851819007515 691208 C1=CC=C(C=C1)NC(=O)CSC2=CC=C(O2)C=NNC(=O)CC#N 1 1.776 4 3 0 -16.4591098049448 691195 C1CCC(=O)N(CC1)CP(=O)(CCC2=CC=CC=C2)O 1 2.063 1 3 -10.5229643807621 691194 CP(=O)(CN1CCCCC1)O 1 0.648 1 2 0 -0.468181537470732 691189 CC1=CC=C(O1)C=NC2=C(C3=C(S2)CCCC3)C(=O)N 1 3.139 2 2 -4.23058169334606 691151 CCOC(=O)C1=C(C2=C(O1)CCCC2=NO)C 1 2.374 1 4 -4.85336777838609 691131 C1=CC=C(C=C1)/C=C/C(=O)NC2=NC=C(C=C2)Cl 1 3.135 2 1 -1.93294042123461 691129 C1=CC=C(C=C1)/C=C/C(=O)NC2=NC=C(C=C2)Br 1 3.219 2 1 -6.02279817635902 691123 CC1=NN(C(=C1C=NNC(=O)C2=CN=CC=C2)Cl)C3=CC=CC=C3 1 2.5 5 1 -4.38592698366841 691121 C1=CC=NC(=C1)C(=O)NN=CC2=CC=NC=C2 1 0.81 4 1 0 -7.19734825107584 691106 CC1=CC=C(C=C1)C(=O)/C=C/C(=O)O 1 2.299 0 3 1.52781683649248 691098 C1COCCN1C(=O)/C=C/C2=CC=CC=C2 1 1.399 1 2 0 -6.53208517934232 691068 C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC(=CC=C3)O 1 2.227 2 4 -6.35842621469994 691047 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.287 1 4 -15.3148420355597 691030 CC1=C(C=CC(=C1)CCCC(=O)NN=CC2=CC(=CC=C2)OC)OC 1 4.083 2 3 -5.90208948764792 690982 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=CC=NC=C2 1 1.5 3 3 0 -6.04390900420823 690950 C1=CC=C(C(=C1)C(=O)O)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.977 1 4 -4.18224203889953 690946 CC1=CC(=NC(=C1C#N)SCCN2CCOCC2)C(F)(F)F 1 3.322 3 1 -7.61362499116588 690945 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.391 2 1 2.04154325643553 690937 C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=CO4 1 3.058 2 2 -13.7253854348706 690934 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)OC(=N3)C4=CC(=CC=C4)Cl 1 4.156 3 2 -1.06716643907513 690933 CC1=NC2=C(C3=C(S2)CCC3)C(=O)N1C4=CC=C(C=C4)OC 1 3.308 2 2 -15.0279067812863 690928 CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)N2CCN(CC2)C 1 1.867 3 2 0 -14.5077013020612 690923 C1CC2=C(C1)SC3=C2C(=O)OC(=N3)C4=CC=CC=C4 1 3.854 1 2 -12.3642815517069 690917 C1CCC2=C(C1)C3=C(S2)N=C(OC3=O)C4=CC=CS4 1 4.264 1 2 -14.8256510322907 690911 C1=CC=C(C=C1)C2=NC3=CC=C4C(=NON4O)C3=C2 1 -8.3e-002 3 2 0 1.85803574834791 690908 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.929 2 4 -11.2137558862173 690884 C1=CSC(=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)N)N 1 2.187 3 1 -4.68874106632148 690833 C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)C2=CC=NC=C2 1 1.427 4 3 0 -7.87531774985487 690832 C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)C3=CC=NC=C3 1 2.441 3 1 -2.65672203683851 690747 COC1=CC=C(C=C1)C=NNC(=S)N 1 1.783 3 1 0 -3.83116443530478 690744 C1=CC(=CC(=C1)NC2=NC(=NC(=N2)N)C(F)(F)F)C(F)(F)F 1 3.14 5 0 2.78910324085393 690742 CCOC1=CC=C(C=C1)C=NN2C=NN=C2 1 1.377 4 1 0 -0.390299502981181 690728 CCN1C(=NC2=C1C=CC(=C2)C(=O)OCC)C 1 2.365 2 2 -5.29926379249768 690727 C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O 1 2.977 1 4 -6.87066919577949 690685 C1CN=C(C=C(N1)C(F)(F)F)C2=CC=C(C=C2)Br 1 3.188 2 0 2.67706306103947 690684 COC1=CC=C(C=C1)C2=NCCNC(=C2)C(F)(F)F 1 2.423 2 1 1.89875790640995 690681 C1=COC(=C1)CSCC2=CC=C(C=C2)C(=O)O 1 2.773 0 3 -4.96868393313257 690674 CN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 1 3.76 3 2 -7.40077094612277 690672 C1=CC=C(C=C1)N2C(=NN=N2)N3C=CN=C3 1 0.928 6 0 0 -7.04185824525152 690671 CN1C=NN=C1SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N 1 1.279 8 0 0 -12.8911578098383 690669 C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=CC=N3 1 1.909 7 0 0 -4.45155143667529 690668 CC(C)CCOC1=CC=CC=C1C(=O)N 1 2.396 1 2 -5.00739049733142 690639 C1=CC=C(C=C1)CCN2C=CNC2=S 1 2.319 2 0 -1.09845567833407 690634 CC1=CC=C(O1)C(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 3.715 1 3 -3.14412474017328 690626 CSC1=NC2=CC=CC=C2N1CC(=O)NC3=CC=CC=C3 1 3.271 3 1 -6.66468406384071 690625 CC1=C(C(=CC=C1)C)NC(=O)CN2C3=CC=CC=C3N=C2SC 1 4.243 3 1 -8.65653823626042 690619 CN1CCN(CC1)CC2=CC(=C(C3=C2C=CC=N3)O)[N+](=O)[O-] 1 1.699 4 3 0 6.28261085534308 690617 C1CCN(C1)CC2=CC(=C(C3=C2C=CC=N3)O)[N+](=O)[O-] 1 2.203 3 3 4.64270427914633 690606 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 0.814 2 5 0 -19.4358860325503 690605 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NN=C(S3)C 1 2.56 4 2 -16.1464449966459 690592 CC1=NC(=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC 1 2.035 3 5 0 -8.76598079051082 690579 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC 1 2.239 3 5 0 -8.47192504232454 690546 COC1=CC=CC=C1CC(=O)N2CCCC3=CC=CC=C32 1 3.369 1 2 -11.1852126381683 690545 CC1=CC(=NC=C1)NC(=O)CC2=CC=CC=C2OC 1 2.507 2 2 -6.46381300971973 690543 COC1=CC=CC=C1CC(=O)NC2CCCCCC2 1 3.371 1 2 -10.3117046243604 690541 COC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.097 2 2 -5.15812776145566 690540 COC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.556 2 2 -1.56480386391055 690534 C1=CC=C(C=C1)C(CC(=O)NCC2=CN=CC=C2)C3=CC=CC=C3 1 3.246 2 1 -15.0878483153886 690531 CN(C)C1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)F 1 2.982 2 1 -6.52927889548844 690515 CN(C)C1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2OC 1 2.767 2 2 -13.2669558346734 690514 CN(C)C1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)OC 1 2.767 2 2 -11.0553037770827 690509 CCC1=CC=CC(=C1NC(=O)C2=CC(=CC=C2)N(C)C)C 1 4.205 2 1 -9.85401371122892 690502 CCN(CC)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)F 1 3.679 2 1 -7.20830596464992 690470 C1=CC(=C(C=C1Cl)C(=O)NN2C=NN=C2)Cl 1 1.562 4 1 0 -3.78482621131648 690448 CC(C)(C)C1=CC=C(C=C1)C(=O)N2C=NC3=CC=CC=C32 1 4.4 2 1 -0.994080932343919 690446 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCN2CCOCC2 1 2.264 2 2 -6.61929154136623 690398 CC1=NON=C1C(=O)NN=CC2=CC=NC=C2 1 4.8e-002 5 2 0 -11.1286482002689 690372 CC1=C(C=CO1)C(=O)NCC2=CC=CC=C2 1 1.87 1 2 0 -7.23658380440529 690363 COC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCCCC3 1 3.309 2 2 -5.6738116033104 690354 CC1=CC2=C(C=C1)N(C(=O)C23OCCO3)CC=C 1 1.828 1 3 0 -10.5032776522394 690321 C1=CC=C2C=C(C=CC2=C1)NCC(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 2.882 3 3 -7.50305451633392 690307 COC1=CC=CC(=C1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.96 2 4 -5.79812838767983 690302 CC(=NNC(=O)CNC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3 1 3.232 3 1 -9.20375129400561 690299 C1=CC=C2C(=C1)C=CC=C2NCC(=O)NN=CC3=CC=C(O3)[N+](=O)[O-] 1 2.666 4 4 0 -6.54020684793489 690292 C1=CC(=CC(=C1)F)C=NNC(=O)CC(=O)NC2=CC=C(C=C2)Cl 1 2.854 3 2 -1.48989196709949 690247 C1=CC=C(C=C1)CCNC(=O)CN2C=NC(=N2)[N+](=O)[O-] 1 1.175 5 3 0 -15.4729796813227 690246 COC1=C(C=CC(=C1)CN2C=NN=N2)O 1 0.465 4 2 0 -13.7173041773355 690240 COC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)OC 1 4.111 1 3 -13.9893697485023 690237 CC1=CC(=C(C=C1)OC)NC(=O)C2=C(C=NN2C)[N+](=O)[O-] 1 1.92 4 4 0 -8.62352136611206 690234 CC1=CC(NC(=S)N1C2=CC3=CC=CC=C3C=C2)(C)C 1 4.624 2 0 -1.83990554398744 690226 CC1=CC=C(C=C1)C(=O)CSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N 1 5.328 2 1 -4.68040131154176 690223 CCOC(=O)C1=C(C2=C(S1)N=C(C=C2)C3=CC=CC=C3)N 1 3.436 2 2 -4.75371227825571 690172 C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.976 2 3 -4.83546969581478 690155 C1=CC=C(C=C1)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 2.655 3 3 -1.79936570724993 690129 COCC1=C2C=CC=NC2=C(C=C1)O 1 1.578 1 2 0 4.31568601905027 690121 C1=CC(=CN=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.022 3 3 -7.50533368886945 690117 CSC1=CC(=C(C=C1)Cl)C(=O)NC2=NC=C(C=C2)Cl 1 3.873 2 1 9.10302015122463e-002 690107 C1=CC=C2C(=C1)C3=CC=CC=C3C2=NNC(=S)N 1 3.133 3 0 -4.17026115643073 690082 COC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 1 2.23 1 4 -13.6679667159561 690069 CC(C)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2 1 3.644 1 2 -4.57045226529609 690015 CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)C(=O)NC3=CC=CC=C3C 1 4.371 2 2 -8.70989755755353 689989 CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC=C(C=C3)OC)N)C 1 2.822 3 2 -5.10059039198126 689978 CC1=CC(=CC=C1)NC(=O)COC2=CC=CC=C2 1 2.936 1 2 -3.06366063514338 689970 C1=CSC(=C1)C(=O)C2=COC3=C2C=C(C=C3)OC(=O)CCl 1 3.791 0 4 -3.72699317691345 689967 CC1=CC=C(C=C1)C=NNC(=O)CCCC2=CC=C(C=C2)OC 1 4.1 2 2 -7.42398774408732 689963 CC1=CC=C(C=C1)C=NNC(=O)CSCC2=CC=C(C=C2)Cl 1 4.234 2 1 -7.66750149591679 689959 C1=CC=C(C=C1)C=NNC(=O)CSCC2=CC=C(C=C2)Cl 1 3.748 2 1 -7.83944531300115 689957 CC(=NNC(=O)C1=CC(=CC=C1)F)/C=C/C2=CC=CC=C2F 1 3.533 2 1 -3.70788620242798 689954 CC(=NNC(=O)C1=CC=C(C=C1)Cl)/C=C/C2=CC=CC=C2F 1 3.992 2 1 -2.08954834221775 689937 C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3 1 4.046 1 3 -10.2062488834252 689910 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C 1 3.305 1 3 -11.1020437806033 689890 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=CC=CC=C3C(=O)O 1 2.274 1 5 -13.9508801639845 689878 COC(=O)CCC(=O)OC1=CC=C(C=C1)OC(=O)CCC(=O)OC 1 1.507 0 8 0 -11.5615980050028 689872 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC 1 2.545 3 5 0 -12.5817610953149 689866 CC1=CC=C(O1)C=NNC(=O)C2=CN=CC=C2 1 1.073 3 2 0 -7.00162392694197 689857 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.437 4 3 0 -11.7685782831636 689846 C1=CC=C(C=C1)CC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.612 3 3 -7.86871853303411 689833 COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCOCC2 1 0.51 1 5 0 -15.4098770050625 689799 CC1=CC=C(C=C1)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 3.141 3 3 -1.00371813974059 689798 CCOC1=CC=C(C=C1)C(=O)NN=CC2=CC(=CS2)[N+](=O)[O-] 1 2.863 3 4 0 -5.23853630682123 689797 CC1=CC(=C(C=C1C)O)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 3.819 2 5 0 4.61368142236431 689758 CC(C)(C)OC(=O)NN=CC1=CC(=C(C=C1)OC)OC 1 2.56 2 4 -11.5480992300086 689750 C1=CC=C(C=C1)NC(=S)NCC2=CC=CO2 1 3.277 2 1 -9.31551648005298 689742 C1=CC(=CC=C1C(=O)NC2=CC=NC=C2)Cl 1 2.128 2 1 -2.63993104616256 689734 C1=CC(=CC=C1[N+](=O)[O-])OC2=CC3=C(C=C2)C(=O)N(C3=O)CCO 1 1.777 2 6 0 -2.28541964731474 689729 CCC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.365 4 4 0 -10.578256286895 689701 C1=CC=C2C(=C1)NC(=N2)SCC(=O)NN=CC3=CC=NC=C3 1 1.983 5 1 0 -7.13565669815102 689700 COC1=CC(=C(C=C1)OC)/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3 1 3.28 1 4 -8.23398046113793 689674 CCC1=CC=C(C=C1)C2C(=C(SC(=C2C#N)N)N)C#N 1 2.405 4 0 -4.77150906262871 689669 C1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2 1 3.24 2 1 -2.77264864830037 689665 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)C#N 1 2.751 3 2 -3.29413576596244 689661 COC1=CC=CC=C1C=NN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.399 2 3 -0.354956282965679 689653 CCC1=CC=C(C=C1)OC2=NS(=O)(=O)C3=CC=CC=C32 1 3.786 1 3 1.95037117413089 689615 C1=CC=C(C=C1)CCC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 3.068 3 3 -10.8540979712318 689600 CC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)C 1 2.982 1 2 -3.38670180686244 689589 CC1=C(C(=CC=C1)C)OCC(=O)NN=CC2=CC3=C(C=C2)OCO3 1 3.259 2 4 -9.04441140005696 689565 C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)C3=CNC(=O)NC3=O 1 -0.804 4 6 0 -13.0226257434541 689560 CC1=CC=C(C=C1)C=NNC(=O)COC2=C(C=C(C=C2)C)[N+](=O)[O-] 1 3.385 3 4 0 -7.37402979264953 689529 CC(=O)OC1=C(C=C(C=C1)C=NNC(=O)C2=CC=NC=C2)OC 1 1.284 3 4 0 -9.64137826354822 689509 CC1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC2=O)Br 1 3.147 2 1 -1.47118034367082 689500 COC1=CC=CC=C1C(=O)NC2=CC=CC=N2 1 1.986 2 2 0 -5.46113942295926 689491 CC1=C2C(=C(C(=C1Br)O)Br)SC(=O)O2 1 4.286 0 3 9.56184331796262 689483 CC1=CC(=CC=C1)NCC(=O)NN=CC2=CC(=CC=C2)Br 1 3.578 3 1 -3.82238144630869 689480 CC1=NC=C(C=C1)C(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)Cl 1 3.684 3 2 -2.79680921370944 689455 CC1=CC=C(C=C1)NCC(=O)NN=CC2=CC(=CC=C2)Br 1 3.578 3 1 -5.98540833595615 689422 C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.906 3 2 -4.93071732108968 689408 CC1=NC2=C(C=C1)C(=C(S2)C(=O)C3=CC=CC=C3)N 1 2.971 2 1 -5.54032100664572 689404 C1=CC(=CN=C1)C=NC2=NC=CS2 1 1.273 3 0 0 5.10087757752317 689338 C1COCCN1C(=O)C2=NN3C=C(C=NC3=C2)Br 1 0.381 4 2 0 -8.34434030790159 689339 CC(=O)NC1=CC=CC2=C1C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C 1 1.327 2 5 0 -14.3050709351981 689341 CCC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=C2)Cl 1 3.312 2 2 -1.31024285979562 689395 CN1C2=CC=CC=C2C=C1CC(=O)NC3=CC=CC=C3 1 3.44 2 1 -4.36975803803239 689389 CCN(CC)CCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C 1 3.885 5 0 -13.6611091265051 689386 CN(C)C1=CC=CC(=C1)NC(=O)C2=CC=CC3=CC=CC=C32 1 3.685 2 1 -4.04633084206833 689372 CC1=CC(=CC=C1)OCC(=O)NN=CC2=CC=C(C=C2)N(C)C 1 3.167 3 2 -6.53611663211895 689323 C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)O 1 2.712 1 3 -1.0015891151622 689261 COCC1=CC(=C(C2=C1C=CC=N2)O)CN3CCCC3 1 2.112 2 2 3.51293758315274 689241 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3Cl 1 3.054 1 3 -9.39482351246032 689226 CC(C)(C)C(=O)CSC1=NC(=NC(=C1C#N)SC)N 1 2.994 4 1 -15.2757617205875 689218 COC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)N)O 1 2.051 3 2 2.77067044663922 689210 CN1C(=NN=N1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 0.754 6 3 0 -21.2701982896503 689193 C1CCC(C1)(C2=CC=CC=C2)C3=NNC(=S)O3 1 3.998 2 1 -3.55002007386425 689192 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CC2=CC=CC=C2 1 2.669 2 4 -9.1125120336081 689155 COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)O 1 1.309 2 4 0 -3.63501918474207 689154 C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C#N 1 3.299 4 0 -7.03637916668262 689115 C1OC2=C(O1)C=C(C(=C2)C=NN3C=NN=C3)[N+](=O)[O-] 1 0.707 5 4 0 -3.37323634766341 689109 COC1=CC=C(C=C1)C2=NNC(=O)CC2 1 1.032 2 2 0 -8.63544303784749 689101 COC1=CC=C(C=C1)C2=NC(=S)NN2 1 1.879 3 1 0 -1.29154320793304 689099 C1=CC(=CC=C1C2=NC(=S)NN2)Cl 1 2.56 3 0 0.943421691797917 689098 CC(C)N1CCN(CC1)C2=CC=C(C=C2)O 1 2.433 2 1 3.18193577921807 689038 COC1=C(C=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O)OC 1 2.752 0 5 0.667060751177332 689024 CC(C)(C)C1=NC(=O)N=C(N1)N 1 1.205 4 1 0 -4.7264980510467 689021 C1C2CC3CC1CC(C2)(C3)C4=NC(=O)N=C(N4)N 1 2.214 4 1 -1.59415272120619 688972 CC1=C(C(=O)OC2=C1C=C(C=C2)O)C3=CC=CC=C3 1 3.582 0 3 1.63593421205017 688967 COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3 1 3.361 0 3 3.03402228854289 688964 COC1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O 1 3.361 0 3 3.83004856997986 688948 CC1=C(C(=O)OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OC 1 3.566 0 4 1.69748441922123 688945 CCOC1=CC2=C(C=C1)OC(=O)C=C2C 1 2.678 0 3 -3.53731970068001 688937 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C#N 1 2.598 2 2 -8.44022269226072 688791 CC1=CC2=C(C=C1)OC(=O)C(=C2C)C3=CC=C(C=C3)O 1 4.069 0 3 3.18326305964088 688785 C1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.632 0 5 -13.1776557942639 688767 CC1=C(C(=O)OC2=C1C=C(C=C2)O)C3=CC(=C(C=C3)OC)OC 1 3.549 0 5 -1.46630168432339 688763 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C 1 2.45 1 3 -11.5105978435145 688699 C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)C(F)(F)F 1 2.92 2 2 -3.58179127070843 688698 CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=CC=CC=C3 1 3.704 2 2 5.69545852738534 688697 C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=CC=CC=C3O 1 3.218 2 2 4.49416054590151 688693 C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)O 1 3.967 2 2 6.60260382313541 688689 CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)N 1 1.844 3 2 0 -4.72745398455197 688685 C1=CC(=CC=C1N2C(=C(C=N2)C#N)N)F 1 1.518 4 0 0 -1.13440561207953 688679 COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)O 1 2.878 0 4 3.31261405344068 688670 COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OC 1 3.103 0 4 1.31823485670267 688356 CCOC(=O)/C(=C/C1=CNC2=CC=CC=C21)/C#N 1 2.634 2 2 -5.59446298636972 688351 C1CCC(CC1)NC(=S)NCCN2CCOCC2 1 2.342 3 1 -12.4313608619215 688251 C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)CCO)O 1 2.646 3 2 2.63365025461506 688213 CC(C)[C@@H]1COC(=N1)C2=NC(=CC=C2)C3=N[C@@H](CO3)C(C)C 1 3.846 3 2 1.4781701561384 688200 CN(C)C1=CC=C(C=C1)/C=C/C2=CC=NC=C2 1 2.827 2 0 0.101606378957447 688194 C1=CC2=C(C=C1C(F)(F)F)N(N=N2)O 1 0.16 3 1 0 2.77755261290963 688137 CC1(CC(CC(C1)(C)C(=O)O)(C)C(=O)O)C(=O)O 1 1.542 0 6 0 -2.64400989489452 688139 C1=CC(=CN=C1)CNC(=S)NCC2=CN=CC=C2 1 1.523 4 0 0 -8.04644996913095 688125 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CC3=CC=CC=C3 1 3.165 1 3 -10.6073806370127 688095 CC(C)NC[C@@H](COC1=CC=CC2=C1C=CN2)O 1 1.925 2 2 0 -4.36364786709371 688004 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=NC=C2 1 2.895 2 2 -1.1874442591061 688003 COC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=NC=C2 1 1.478 2 3 0 -4.17854461736155 688002 C1=CC(=CC=C1F)S(=O)(=O)NCCC2=CC=NC=C2 1 1.7 2 2 0 -3.05370138275216 688001 C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=NC=C2 1 1.495 2 2 0 -4.66158804745357 687994 CN(C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CN=CC=C3 1 2.1 5 1 -11.7052232058065 687985 CC1=CC(=C(S1)C)S(=O)(=O)NC2=CC3=CC=CC=C3C=C2 1 3.179 1 2 9.10189199652875e-002 687984 CC1=CC(=C(S1)C)S(=O)(=O)NC2=CC=C(C=C2)F 1 2.476 1 2 -1.10799620836036 687980 C1=CC=C(C=C1)C2=CC(=C(O2)CN)C(=O)O 1 -0.922 1 3 0 1.70261905166084 687974 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=C(C=C3)F 1 2.373 6 3 0 -20.2927501379055 687972 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC2=CC=NC=C2)C 1 2.953 2 2 -2.39694139776152 687968 C1C2=CC=CC=C2CN1C3=CC(=CC=C3)O 1 3.087 1 1 4.67201996612637 687963 C1=CC=C(C(=C1)NC(=O)CN2C=NC=C2C3=CC=C(C=C3)[N+](=O)[O-])F 1 2.469 4 3 0 -7.59110669591309 687960 CC1=CN(NC1=O)C2=CC=C(C=C2)Br 1 2.207 2 1 -2.27932918201675 687959 CCOC(=O)C1=CC=C(C=C1)COC(=O)C2=NON=C2N 1 1.498 3 5 0 -12.6664420065041 687954 CCOC1=NC(=NC(=N1)N(C)C)N2C(=C(N=N2)C(=O)C)C 1 1.456 7 2 0 -11.333092207225 687952 CC1=C(N=NN1C2=NC(=NC(=N2)OC)N(C)C)C(=O)C 1 1.107 7 2 0 -13.6781154963868 687944 COCC(=O)NCCC1=NC(=CS1)C2=CC=CC=C2 1 1.537 2 2 0 -6.25264612272142 687937 CC1=CC(=O)N=C(N1)SCC(=O)C2=CC(=C(C=C2)O)O 1 1.74 2 4 0 -8.01750624757065 687924 C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C=CN=C3)N4C=CN=C4 1 1.947 7 0 0 4.28186448160128 687922 C1=CC=C2C(=C1)N=NN2CNC3=NN4C(=NN=C4C(F)(F)F)C=C3 1 2.519 8 0 0 -6.62844453493659 687914 CC(C)N1C2=CC=CC=C2N=C1COC3=CC=CC=C3 1 4.038 2 1 0.109936142748224 687911 CCN1C2=CC=CC=C2N=C1COC3=CC=CC=C3OC 1 3.644 2 2 -3.18729206355145 687905 C1CC1NC(=O)C2=C3C(=CS2)OCCO3 1 1.266 1 3 0 -6.62417871154426 687904 C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC(=NC(=N3)N)Cl 1 3.792 5 0 1.19657280218466 687903 CCN(CC)C1=NC(=NC(=N1)C#N)N(CC)CC 1 1.447 6 0 0 -3.63788678950359 687901 C1CCN(CC1)C2(CCN(CC2)C(=O)C3=CC=CS3)C(=O)N 1 1.148 3 2 0 -12.0888528909933 687873 CC(=NNC(=O)C1=CC=CS1)C2=CN=CC=C2 1 1.466 3 1 0 -8.65019921818454 687869 CC(=NNC(=O)CSC1=NC2=CC=CC=C2N1C)C3=CC=NC=C3 1 2.169 5 1 -11.7203437730652 687866 CC1=CC=C(S1)C=NNC(=O)C2=CC=CO2 1 2.177 2 2 -2.94076005127127 687861 C1=CC=C2C(=C1)C=CC=C2C3=NNC(=C3)C(=O)NN=CC4=CC=CC=N4 1 3.552 5 1 2.9773014731878 687859 CC1=C(C=CO1)C(=O)NN=C(C)C2=CN=CC=C2 1 0.762 3 2 0 -6.78492934831387 687850 C/C(=C/C1=CC=CO1)/C=NNC(=O)CC2=CC=CN2C 1 2.51 3 2 -8.65687366669965 687828 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NN=CC3=CN=CC=C3 1 1.415 5 1 0 -2.74671956686741 687820 CC(=NNC(=O)CSC1=NC2=CC=CC=C2N1)C3=CC=NC=C3 1 1.963 5 1 0 -9.11299389026174 687815 CC1=CC(=C(C=C1)CN2CCN(CC2)N=CC3=CC=CS3)C 1 4.03 3 0 1.81276299602699 687810 C1=CC=C(C=C1)C=NNC(=O)CC2=NNC(=O)NC2=O 1 0.12 5 3 0 -21.1854366775789 687788 COC1=CC=C(C=C1)C=NNC(=O)CC2=NNC(=O)NC2=O 1 0.103 5 4 0 -21.4264590696387 687772 CC1=CC=C(S1)C=NNC(=O)CSC2=NC3=CC=CC=C3N2C 1 3.438 4 1 -7.75807836735972 687771 CC1=CC=C(S1)C2=CC(=NN2)C(=O)NN=C(C)C3=CC=NC=C3 1 2.294 5 1 -5.77370729793263 687769 CC1=CC(=C(C=C1)CN2CCN(CC2)N=CC3=CC=CN3C)C 1 3.668 4 0 0.906782178868028 687764 CC1=C(C(=O)NN1)CC(=O)NN=C(C)C2=CC3=CC=CC=C3C=C2 1 0.967 4 2 0 -7.71181733251121 687762 C1=COC(=C1)C(=O)NN=CC2=CC=C(S2)Br 1 2.6 2 2 -2.6762332569327 687760 CN1C=CC=C1CC(=O)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.868 4 3 0 -8.96351666904982 687757 CCOC1=CC=C(C=C1)C=NNC(=O)C2=CC(=NN2)C3=CC=CN3C 1 3.289 5 2 0 -9.47412020073505 687754 C1=CC(=CN=C1)C=NNC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl 1 2.627 5 1 -0.119967459422107 687752 CC1=NNC(=NC1=O)NN=C/C(=C/C2=CC=CC=C2)/C 1 1.798 5 1 0 -11.4341090395415 687735 C1=CC=C2C(=C1)N=C(S2)SCC(=O)NN=CC3=CC=CO3 1 3.097 3 2 -9.52408599365656 687734 C1=COC(=C1)C=NNC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.815 3 1 5.96641880479717 687727 C1=COC(=C1)C=NNC2=NC(=CS2)C3=CC=C(C=C3)Br 1 3.899 3 1 4.50975905969573 687723 C1=CC=C(C=C1)C=NNC(=O)CNC2=NNC(=O)NC2=O 1 -0.732 6 3 0 -22.8551967509629 687713 C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)NN=CC4=CC=CC=N4 1 3.552 5 1 4.42222484812963 687699 C1CCC2=C(C1)C(=NN2)C(=O)NN=CC3=CC=CC=C3Cl 1 3.603 4 1 -8.67154598530468 687698 CC1=C(C(=NN1)C)CCC(=O)NN=CC2=CC(=CC=C2)OC 1 2.03 4 2 -9.1884676400079 687696 CC1=CC=C(C=C1)C=NNC(=O)C2=NNC3=C2CCCC3 1 3.425 4 1 -10.4300987956994 687690 CC1=NNC(=S)N(C1=O)N=CC2=CC(=CC=C2)[N+](=O)[O-] 1 1.853 5 3 0 -8.84221710761341 687684 C1=CC(=CC(=C1)O)C=NNC(=O)CC2=NNC(=O)NC2=O 1 -0.123 5 4 0 -18.7700331029043 687680 C1=COC(=C1)C=NNC(=O)CCC2=NNC(=O)NC2=O 1 -0.451 5 4 0 -25.0893616501863 687670 CC1=NNC(=S)N(C1=O)N=CC2=CC=CS2 1 1.912 4 1 0 -9.06416080510539 687668 C1=CC(=CC=C1C=NNC(=O)CCNC2=NNC(=O)NC2=O)Cl 1 0.181 6 3 0 -20.0888464527193 687667 C1=CC(=CC(=C1)Cl)C=NNC(=O)CC2=NNC(=O)NC2=O 1 0.784 5 3 0 -18.028190245766 687659 CC1=NNC(=S)N(C1=O)N=CC2=CC=CC=N2 1 1.237 5 1 0 -6.13384288796374 687654 CC1=C(C(=NN1)C)CCC(=O)NN=C(C)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.921 5 3 0 -12.6754640631142 687651 CC1=C(C(=NN1)C)CCC(=O)NN=C(C)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.921 5 3 0 -12.9686101088127 687645 CC1=C(C(=NN1)C)CCC(=O)NN=CC2=CC(=C(C=C2)OC)O 1 1.788 4 3 0 -6.72292354821763 687634 CC1=C(C(=NN1)C)CCC(=O)NN=CC2=CC=CS2 1 1.999 4 1 0 -10.5770865689812 687627 C1=CC(=CN=C1)C=NNC(=O)CNC2=NNC(=O)NC2=O 1 -1.882 7 3 0 -22.6688364158169 687596 CC1=CN=C(NC1=O)NN=C/C(=C/C2=CC=CC=C2)/C 1 2.147 4 1 -7.0069311760309 687590 CC1=C(C(=NN1)C)CCC(=O)NN=CC2=CC(=C(C=C2)OC)OC 1 2.013 4 3 0 -13.5243465968812 687582 C1CCC2=C(C1)C(=NN2)C(=O)NN=CC3=C(C=CC=C3Cl)Cl 1 4.267 4 1 -11.3737843847406 687581 C1CCC2=C(C1)C(=NN2)C(=O)NN=CC3=CC=C(C=C3)Cl 1 3.603 4 1 -8.60810010511258 687577 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=NNC(=C3)C4CC4 1 3.113 6 1 0 -5.95972718128325 687575 COC1=CC=C(C=C1)CC(=O)NNC(=O)C2=CC=CS2 1 1.843 2 3 0 -10.0934251797355 687573 CN1C=CC=C1C=NNC(=O)CSC2=NC3=CC=CC=C3N2C 1 2.931 5 1 -12.8127551468403 687569 CC(=NNC(=O)CSC1=NC2=CC=CC=C2N1C)C3=CC=CO3 1 2.715 4 2 -8.70129327998993 687563 CCN1C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC=CS3 1 3.642 4 1 -12.4809857546721 687556 CN1C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC=CS3 1 3.293 4 1 -10.9990404561645 687555 COC(=O)C1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=C3 1 3.048 3 2 -0.369976993413982 687554 CC(=O)OC1=CC2=C(C=C1)OC(=C2C(=O)N)C3=CC=CC=C3 1 2.713 1 4 1.03346936111888 687549 CN1C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC=NC=C3 1 2.189 5 1 -9.74300658095447 687534 COC1=CC=C(C=C1)C=NS(=O)(=O)C2=CC=CS2 1 2.771 1 3 -4.71558030154818 687520 C1=CC=C(C=C1)/C=C(/C=NNC(=O)CC2=CC=CS2)\Cl 1 3.4 2 1 -8.12318386277911 687509 CN1C=CC=C1CC(=O)NN=C/C(=C/C2=CC=CC=C2)/Cl 1 3.038 3 1 -8.34863357726527 687498 CC1=C(SC(=C1C(=O)O)NC(=O)/C=C/C2=CC=CO2)C 1 2.525 1 4 -8.16304658079324 687495 CN1C=CC=C1C=NNC(=O)CC2=CC=CS2 1 2.262 3 1 -10.705802156104 687493 C1=CC=C(C=C1)N2C3=C(C=N2)C4=NN=NN4C=N3 1 0.618 7 0 0 -6.4422090689496 687490 CC1=CC=CN2C1=NC(=C(C2=O)C=O)N3CCCCCC3 1 1.941 3 2 0 -10.5549404640263 687487 CC1=CC=C(C=C1)C2=NN3C(=NN=N3)C4=CC=CC=C42 1 2.495 5 0 -3.39618874208837 687466 C1=CC=C2C(=C1)N=C(O2)C3=CC4=C(C=C3)N=C(N4)C5=CC=C(C=C5)N 1 3.974 4 1 14.8962685175878 687460 CCOC1=CC(=CC(=C1OCC)OCC)C2=NN=C(O2)C3=CC=CO3 1 3.446 2 5 0 -3.04254946101041 687458 C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2Br 1 3.37 1 1 -7.76451166716219 687454 CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=NC4=CC=CC=C4O3 1 3.026 3 2 7.66491754927022 687427 CC1=C(C2=NC3=C(CCC3)C(=O)N2N1)C4=CC=CC=C4 1 1.906 3 1 0 -7.00056659840204 687394 CN(C)/C=C/C(=O)C1=C(N(N=N1)C2CCCCC2)NC3CCCCC3 1 3.985 5 1 -17.4212984316767 687391 CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCCC3)C(=O)C 1 3.421 3 1 -5.22201833668778 687372 CC(C)C12CN3CCN(C1)CC(C3)C2=NO 1 0.874 3 1 0 -1.02675323016477 687353 CC1(CC2=C(C(=O)NC(=C2CO1)C3=CC=CO3)C#N)C 1 1.04 2 3 0 -8.23901740427155 687351 CC1(CC2=C(CO1)C(=S)N(C(=C2C#N)N)C)C 1 1.306 3 1 0 -6.48102930708928 687333 C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3O2 1 3.075 2 2 -7.1918091087905 687322 C1=CC=NC(=C1)NC(=O)C2=CC=CO2 1 1.398 2 2 0 -2.7179618977411 687312 CCOC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C 1 1.494 3 2 0 -2.60936660667856 687311 CC(C)(C)OC(=O)NN=CC1=CC(=CC=C1)[N+](=O)[O-] 1 2.487 3 4 0 -9.66808407719026 687308 C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCC(=O)O 1 3.956 1 2 -4.37127798337002 687307 C1CCC(CC1)NC(=O)/C=C/C(=O)O 1 1.475 1 3 0 -7.95304432143997 687304 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4 1 5.171 2 1 5.56344209594975 687298 C1=CC2=C(C(=C1)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=CC=C2 1 3.342 2 4 -11.890956359576 687282 C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C(=C3)C#N)N)N 1 1.741 5 1 0 -9.93967882067332 687269 C1COCCN1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 0.538 3 4 0 -9.0504545956662 687267 CC1=CC=C(C=C1)NC(=O)CN2CCOCC2 1 1.13 2 2 0 -6.9944348612211 687266 C1COCCN1CC(=O)NC2=CC=C(C=C2)Br 1 1.392 2 2 0 -6.62909591573572 687260 C1=CC=C(C=C1)C2=[N+](ON=C2N)[O-] 1 -1.317 3 2 0 2.30031200319137 687246 C1=CC(=CN=C1)/C=C\2/C(=O)NC(=S)N2 1 0.679 3 1 0 -8.36534914614935 687245 C1=CC(=CN=C1)/C=C/2\C(=O)NC(=S)N2 1 0.679 3 1 0 -8.36534914614935 687221 CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=CC(=C3)C)C(=CC2(C)C)C 1 4.746 1 2 -6.5439897980964 687219 CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C 1 4.442 1 1 -16.5698665194375 687218 CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=CC2(C)C)C 1 4.26 1 2 -6.13222804214368 687205 CC1=CC=C(C=C1)C2=NNC(=O)C=C2 1 1.933 2 1 0 -2.31546218527704 687188 CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCOCC3 1 3.29 2 2 -6.5664718202274 687184 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl 1 3.041 2 2 -3.34662176447877 687183 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.271 3 4 0 -7.26301824242282 687181 C1CCCCCC(=NNC(=O)C2=CC=NC=C2)CCCCC1 1 3.995 3 1 -9.32836098686588 687170 CC1=CC2=C(C=C1)N=C(C=C2C)NC3=CC=CC=C3 1 4.44 2 0 10.1346928535527 687167 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NNC(=O)C3=CC=CS3 1 2.436 2 3 -9.56335993095815 687166 C1=CC=C(C=C1)CCC(=O)NNC(=O)C2=CC=CC=C2F 1 2.568 2 2 -13.6526619534823 687164 COC1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2 1 1.454 2 2 0 -9.86615304518332 687153 CC1=C(OC(=C1C#N)N=CC2=C(C=C(C=C2)OC)OC)C 1 3.132 2 3 2.33279508958185 687138 CN1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)Br 1 1.91 3 1 0 2.85392926589377e-002 687132 CN1C2=CC=CC=C2C(=C1CC(=O)NN)SC3=CC=CC=C3 1 3.284 3 1 -1.26066891529301 687128 C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.498 3 1 1.64345940316902 687122 C1=C2N=CC(=CN2NC1=O)N3C=C(C=N3)[N+](=O)[O-] 1 -0.912 6 3 0 -5.09267173167309 687120 CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)NC(=O)C 1 2.414 1 4 1.80282402817967 687117 COC1=CC=C(C=C1)C(=O)C2=COC3=C2C=C(C=C3)O 1 3.279 0 4 4.9548812861347 687116 COC(=O)C1=C(C2=CC=CC=C2O1)N3C=CC=C3 1 3.156 1 3 0.802939128956041 687113 CCOC(=O)CSC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)Cl 1 5.195 1 2 -3.69498439557765 687105 C1COCCN1CCC(=O)NC2=CC=C(C=C2)F 1 1.097 2 2 0 -5.11128152163805 687094 CC(C)NC(=O)C1=CC2=C(S1)CCCC2 1 3.101 1 1 -14.4988354157907 687093 C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=C(S3)Br)N 1 3.604 1 2 3.39783620021719 687087 COC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC 1 2.581 1 3 -4.60384246770655 687074 C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CO2 1 1.266 2 3 0 -5.90074103388072 687041 CC1=CC=CC(=C1)C(=O)NC2=CC3=CC=CC=C3C=C2 1 4.009 1 1 -2.03307693891715 687033 CC1=NC=C(C=C1)CCNC2=CC3=CC=CC=C3C=C2 1 3.583 2 0 1.12559139289209e-002 687027 CC1=NC=C(C=C1)CCNC2=CC=CC=C2C 1 3.161 2 0 -3.5668113793968 687025 CC1=[N+](C=C(C=C1)CCNC2=CC=CC=C2)[O-] 1 1.831 2 1 0 -1.28246511782401 687024 CN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3 1 3.768 1 1 -0.995818258787687 687023 CC1=CC(=C(C=C1)C)NCC2=CC=CC=C2CO 1 3.59 1 1 1.6386172464459 687010 CC1=CC=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)F 1 2.563 2 2 -7.95514526154929 686997 CC1=CC=C(O1)C=NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.742 2 2 -1.85556671474931 686951 CC1=CC=C(C=C1)NCCC2=CC=C(C=C2)OC 1 4.013 1 1 4.01255570017086e-002 686993 CC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2)/Cl)C 1 4.423 1 1 -2.1161105026716 686982 C1=CC=C(C=C1)/C=C(/C(=O)NC2=CC=CC3=CC=CC=C32)\Cl 1 4.359 1 1 -2.78630036529696 686980 C1=CC=C(C=C1)/C=C(/C(=O)NC2=CC=C(C=C2)F)\Cl 1 3.656 1 1 -1.15631866256623 686973 COC(=O)NNC(=O)C1=C(C=C(C=C1)Cl)Cl 1 2.179 2 3 -4.24263238389881 686956 COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)N)N 1 2.266 4 1 -6.36684385604165 686900 C1CCN(CC1)C(=O)CSC2=CC=CC=C2C(=O)O 1 2.184 1 3 -11.7470321044293 686880 CC1=CC(=NC(=C1C(=O)N)NC2=CC=C(C=C2)F)C 1 2.745 3 1 -1.73658341645364 686867 CCN1CN(CNC1=S)CC2=CC=CC=C2 1 3.047 3 0 -4.58313135704289 686860 C1=CC(=CC=C1CC#N)NC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-] 1 2.41 3 4 0 -4.16610396890125 686858 C1=CC(=CC(=C1)F)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.651 3 2 -0.895887744181024 686857 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.429 3 3 -6.37038317037913 686854 COC1=CC=C(C=C1)C2=C(C(=O)CC2)CC(=O)O 1 1.922 0 4 0 -6.70049682436437 686852 CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=C(C=C3)F 1 2.211 3 3 -2.44647856952527 686844 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=CC=C2)OC 1 2.702 1 5 -14.7923261346088 686833 CCOC(=O)NC1=CC(=C(N=C1C)C)NC(=O)OCC 1 1.469 3 4 0 -5.48028700591414 686822 CC1=CC(=CC=C1)OC(=O)C2=C(C(=CC=C2)NC(=O)C)O 1 2.626 1 4 -5.55346487859399 686819 C1CC1C2=CC(=NN2)C3=NNC(=S)N3C4=CC=C(C=C4)C(=O)O 1 3.084 5 2 0 -7.260621968107 686793 CC1=CC(=NO1)NC(=O)C2=CC(=C(C=C2Cl)F)F 1 2.828 2 2 -11.1202467755606 686788 C1CCC2(CC1)NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)O 1 3.696 2 2 -1.78875012455423 686786 COC1=C(C=C(C=C1)CCN2C(=CC(=O)NC2=O)N)OC 1 0.846 3 4 0 -10.0359114434816 686785 CCOC(=O)CC1=C(N2C(=CC(=N2)C)N=C1C)C 1 1.189 3 2 0 -11.9141002117534 686784 CCOC1=CC=C(C=C1)C2=CSC3=NCCN23 1 2.162 2 1 -1.18037643806982 686777 CCC(=O)NC1=NON=C1C2=NC3=CC=CC=C3N2CC(C)C 1 3.227 5 2 0 -8.89027421052979 686775 C1COCCN1CC#CC2=CC=C(C=C2)C#CCN3CCOCC3 1 2.533 2 2 2.86135460246245 686752 C1=CC2=NN=C(N2C(=C1)Cl)C3=C(C=C(C=C3)Cl)Cl 1 4.447 3 0 1.81839972505885 686674 C1CNC(=O)/C(=C/C(=O)C2=CC=CC=C2)/N1 1 0.445 2 2 0 -6.57897736268671 686671 COC1=C(C(=CC=C1)OC)C(=O)NC2=C(C3=C(S2)CCC3)C#N 1 3.174 2 3 -20.032657989662 686657 C1CN2C(N2C1)C3=C(C=C(C=C3)Cl)Cl 1 2.444 2 0 2.60009102613197 686649 CC1=CC=CC=C1NC(=S)NN2CCN(CC2)C 1 2.598 4 0 -4.33180934261214 686648 CC1=CC=CC=C1NC(=S)NC2=CC=CC=N2 1 4.241 3 0 -5.32053303815619 686632 CCOC(=O)CC1=C(N2C(=C(C(=N2)C)C3=CC=CC=C3)N=C1C)C 1 2.708 3 2 -9.68132181642981 686618 CC(=NNC(=O)C1=NNC(=C1)C2=CC=C(S2)Cl)C3=CC=NC=C3 1 2.607 5 1 -3.36166385390184 686616 CC(=NNC(=O)C1=CC=CS1)C2=CC=NC=C2 1 1.466 3 1 0 -8.60798146822609 686615 C1=CC2=NN=C(N2C=C1)SCC(=O)NCC3=CC=CO3 1 1.513 4 2 0 -21.5068859964462 686610 CC1=CC=C(S1)C2=CC(=NN2)C(=O)NN=CC3=CC=CO3 1 2.859 4 2 -2.89126209688101 686601 C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(S2)Br 1 2.482 3 1 -5.06704663736453 686576 CN1C2=CC=CC=C2N=C1SCC3=NN=C4N3CCCCC4 1 3.41 5 0 -11.0841008779422 686565 CC1=C(SC2=C1C(=O)N=C3N2C(=C)CS3)C 1 2.722 2 1 -8.63578871516795 686563 CCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=CC=N3 1 3.585 5 1 0.496553451891513 686557 C1=CC=C2C(=C1)C(=NNC2=O)C3=CC=CS3 1 2.451 2 1 -9.42218781336991 686542 C1=CC=NC(=C1)C2=NOC(=C2)CO 1 0.982 2 2 0 3.63165309789871 686519 C1=CC(=CN=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)Cl 1 1.22 3 3 0 -8.57149287083992 686511 CN1CCN(CC1)C(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.095 3 3 0 -5.95629200386827 686505 CC1=CC=CC=C1NC(=S)NCC2=CC=CC=C2 1 4.582 2 0 -9.45146227892748 686474 C1=CC=C(C=C1)CCNC(=O)CN2N=C(N=N2)C3=CC=CC=C3F 1 2.675 5 1 -10.0021019539705 686468 CC1=NN(C(=C1)N2C(=O)CCC2=O)C3=CC=CC=C3 1 1.623 3 2 0 -6.25827586078867 686458 CC(C)OC1=CC=C(C=C1)C(=O)CCN2CCOCC2 1 2.221 1 3 -2.54577507553335 686457 CC1=NN=C(S1)SCC(=O)C2=CC=C(C=C2)Cl 1 3.026 2 1 -9.41525564195374 686451 CC1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3 1 4.35 2 2 -8.60323537783743 686443 COC1=CC(=CC(=C1)C2=NC(=NN2)N)OC 1 1.256 4 2 0 0.755697519433476 686441 C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=CC=CC=N3 1 2.784 1 3 -6.86009546335768 686436 C1=CN=C(N=C1)SCC2=CC=C(C=C2)C#N 1 2.576 3 0 -6.6460034978892 686407 C1=CC=C(C=C1)OC2=NS(=O)(=O)C3=CC=CC=C32 1 2.843 1 3 1.53316230092877 686405 CC1=C(C=C(C=C1)NC(=O)CN2C=CN=C2)C 1 1.531 3 1 0 -3.35332169293695 686363 CC1=C(C(=O)N=C2C1=C(NN2C3=CC=CC=C3)C)C 1 2.212 3 1 -3.4563107999654 686361 C1CCC2(C1)NC3=CC=CC=C3C(=S)N2 1 2.793 2 0 -2.30250463157607 686340 CC1=CC=C(O1)CC2=CN=C(S2)N 1 1.465 2 1 0 -0.310716887848315 686300 COC1=CC=C(C=C1)NC(=S)NC2=CC=CC=N2 1 3.738 3 1 -4.00483331376475 686289 C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CC4=C(C=CC=C4Cl)F 1 3.726 4 2 -8.23132454763276e-003 686269 COC1=C(C=C(C=C1)CCNC(=O)C2=NON=C2N)OC 1 0.935 4 4 0 -17.2914782134648 686268 C1=CC=C(C=C1)N2NC3=NC=NC(=O)C3=N2 1 0.587 5 1 0 -3.63042263878861 686254 CC1=CC(=NN1C(=O)C2=CC3=C(C=C2)OCO3)C 1 2.124 2 3 -7.91885578861853 686224 C1=CC=C(C=C1)NC(=O)C2=C(C=NN2)[N+](=O)[O-] 1 1.244 4 3 0 -6.4497361390242 686212 CC12CN3CC(C1O)(CN(C2)C3C4=CC5=C(C=C4)OCO5)C 1 1.681 2 3 0 -3.80127056443609 686200 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=NC=CS3 1 2.52 2 1 -3.85044073198402 686198 CN(C)C1=CC=CC(=C1)NC(=O)CC2=CC=C(C=C2)F 1 3.017 2 1 -5.66420466259323 686192 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)C3=NC=CN=C3 1 2.586 2 3 -8.73788273029119 686187 C1CN(CC2=CC=CC=C21)C3=NC(=CS3)C4=CC=CC=C4 1 3.974 2 0 1.27197778013486 686176 CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.653 2 2 -0.725390125491413 686175 COC1=CC(=C(C=C1)C(=O)NC2=CC=NC=C2)OC 1 1.431 2 3 0 -4.50085235366622 686169 CC1=CC=C(C=C1)NC(=O)C2=NC=NN2 1 1.267 4 1 0 -5.29651664148196 686164 CC(C)COC1=CC2=C(C=C1)NC3=C2CCCC3=O 1 4.111 1 2 -4.98316476170198 686161 C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC=CC=C3 1 3.657 1 1 -2.57493745869338 686157 C1=CN=C(N=C1)NC(=O)COC2=CC=C(C=C2)Cl 1 1.856 3 2 0 -4.67120858597173 686154 CC1=CC(=NC2=CC(=NN12)C3=CC(=CC=C3)Br)C 1 3.363 3 0 -2.2566435821887 686152 C1=COC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O 1 3.736 1 3 2.81226682079209 686151 C1=CC(=CN=C1)C(=O)NNC(=O)C2=CC=CS2 1 0.674 3 2 0 -9.01195820579447 686133 COC1=CC(=C(C=C1)N2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-] 1 2.411 3 4 0 -5.50954707629707 686127 C1CCN(CC1)C2=CC(=O)OC3=CC=CC=C32 1 2.588 1 2 -1.90556287448395 686110 CC(=O)NC1=C2C3=CC=CC=C3C(=O)C4=C2C(=CC=C4)N(C1=O)C 1 1.335 2 3 0 -3.94734654607958 686101 COC1=NC(=NC(=C1)OC2=CC=CC=C2CC=C)N 1 3.455 3 2 -5.98933391709834 686099 CC1=C(C=C(C=C1)NC2=NC3=NONC3=NC2=O)Cl 1 1.58 5 2 0 -1.45169765009745 686089 C1CC1C(=O)NC2=NC=C(C=C2)Cl 1 1.761 2 1 0 -1.15890799403726 686075 CC1=CC(=NC(=N1)NC2=NC3=CC=CC=C3S2)C 1 2.675 4 0 -4.24663047196421e-002 686071 CC1=CC(=C(C=C1)C(=O)O)C(=O)NC2=NC3=CC=CC=C3S2 1 3.356 2 3 -1.74521692382215 686069 CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)N2C=CN=C2C 1 2 2 4 0 -6.40017469828437 686065 CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2C=CN=C2 1 2.889 2 2 -1.76822785211655 686064 CC1=NC=C(N1S(=O)(=O)C2=C(C=CC(=C2)Cl)OC)[N+](=O)[O-] 1 2.002 3 5 0 -5.71461358513272 686062 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2C=NC3=CC=CC=C32 1 3.172 2 3 -6.31726733113129 686057 C1=CC2=C(C(=C(C=C2Cl)Cl)OC(=O)C3=CC=CO3)N=C1 1 4.172 1 3 0.103686002749253 686056 CC1=NC=C(N1S(=O)(=O)C2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] 1 1.321 3 6 0 -10.7555377016801 686055 CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)NCC2=CN=CC=C2 1 1.838 2 4 0 -7.68752135748668 686049 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC=C(C=C3)F 1 3.858 1 3 -11.9094492443392 686048 CC1=NC=C(N1S(=O)(=O)C2=C(C=CC(=C2)OC)OC)[N+](=O)[O-] 1 1.321 3 6 0 -7.47979723986598 686019 CC(=O)NC1=NN=C(S1)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.639 3 3 0 -14.6758364647775 686004 C1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)C#N 1 1.669 3 1 0 -6.91380107989076 686000 CC1(CC(CC(N1)(C)C)N2CCC(=O)NC2=S)C 1 1.457 3 1 0 -9.92895153282367 685929 CC1=C(C(=NC(=C1Cl)C)Cl)S(=O)(=O)N 1 1.691 2 2 0 -1.33274783021808 685926 C1=CC=C(C(=C1)NC(=O)NC2=C(N=CC=C2)Cl)Cl 1 2.91 3 1 -4.59266670511767 685920 CC1=C(SC(=C1C#N)N)C(=O)N2CCCCC2 1 1.857 3 1 0 -6.83802995925353 685919 C1=CC=C2C(=C1)C3=NNC(=S)N=C3N2CC(=O)O 1 1.476 4 2 0 -11.2775564954143 685912 COC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC=CC=C2 1 2.87 1 3 -13.7135498772191 685911 CC1(CC(=NOC(=O)C2=CC=CC=C2)CC(N1C)(C)C)C 1 2.804 2 2 -0.277719126347495 685908 CC1=C(SC=C1)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.838 2 0 1.13210104042929 685886 COC(=O)C1=C(SC=C1C2=CC=CC=C2)N 1 2.243 1 2 1.8062072730219 685884 CC(=O)NC1=NC=C(S1)CC2=C(C=CC(=C2)Cl)Cl 1 3.12 2 1 -1.90479699363772 685883 C1CCC(=C2CCC3=C2NC4=CC=CC=C4C3=O)C1 1 3.905 1 1 -7.73956588716542 685878 CC1=CC(=NC(=C1C#N)SCC(=O)C2=CC=CS2)C 1 3.617 2 1 -13.4576075568128 685850 C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.21 2 1 -5.02137613383919 685835 CC1=CC(=NN1S(=O)(=O)C2=C(C=CC(=C2)OC)OC)C 1 2.026 2 4 -10.3509457104423 685830 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCC(CC3)C(=O)N 1 1.929 3 3 0 -8.89525447981189 685828 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)Cl)C 1 3.927 2 0 -4.72304993490102 685826 C1CCC(CC1)(C#N)N2CCN(CC2)C(=O)C3=CC=CC=C3 1 2.859 3 1 -6.94047582338879 685814 C1=CC=C(C=C1)CC2=CC(=O)NC(=S)N2 1 2.151 2 1 -7.8147665003134 685797 CC(=O)NC1=CC=C(C=C1)C2=CN3C=CSC3=N2 1 1.368 3 1 0 -3.10001026044891 685790 CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)F 1 2.862 3 3 -11.5680058076146 685779 CC1=CC(=C(C=C1)C)OCC2=NN=C(S2)N 1 2.29 3 1 0.479260373341496 685770 CC1=C(C=CC=C1Cl)C2=CC=C(O2)C=NN3C=NN=C3 1 3.4 4 1 4.13483000137363 685764 COC1=CC=C(C=C1)C(=O)ON=C2CCCC3=NON=C32 1 2.129 3 4 0 -3.27110893099306 685759 C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=CC4=CC=CC=C43 1 3.617 2 2 -2.34945022078575 685751 C1=CC=C(C(=C1)CN2N=C(N=N2)C3=CC=C(C=C3)F)Cl 1 3.958 4 0 3.61638787455981 685734 CC1(CC2=CC=CC=C2C3=NC4=CC=CC=C4C(=O)N31)C 1 3.356 2 1 -5.0473024787679 685715 CC1=C(SC2=NC=NC(=C12)N3CCOCC3)C 1 2.132 3 1 -2.64389291238221 685714 C1C2=CC=CC=C2CN1C3=CC=CC(=C3)C(=O)NN=CC4=CC=CO4 1 3.577 3 2 -6.41402083655392 685712 CC1=C(C=C(C=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)C 1 2.681 1 6 0 -8.65547523694323 685693 C1=CC=C2C(=C1)C=CC=C2C(=O)N3C4=CC=CC=C4N=N3 1 3.997 3 1 -0.320710910668671 685688 C1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2NC=N3 1 2.099 4 1 -6.25198650754552 685684 CCOC1=C(C=CC(=C1)/C=C\2/C(=NOC2=O)C3=CC=CC=C3)OC 1 3.703 1 4 -3.98848583998214 685678 CC1=CC=C(C=C1)P(=O)(C)C2=CC=C(C=C2)C 1 4.373 0 1 -0.790640205081085 685677 COC1=NC(=NC(=C1)NC(=O)C2=C(C=CC=C2F)F)OC 1 2.813 3 3 -15.010287658164 685673 CC1=C(C(=CC=C1)C)N2CCC3=C2NN=C3 1 3.201 3 0 -2.85962958168839 685668 C1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3C(=O)O2 1 2.391 1 3 -7.26975189430798 685643 CSC1=NC=C(C(=N1)N(CCO)CCO)F 1 0.322 3 2 0 -0.461280129597283 685629 C1=CC=C(C=C1)NC2=CC=CC(=C2)N 1 2.633 2 0 3.32280048445027 685576 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C(C2)C(Cl)Cl 1 5.006 2 0 2.18289293947169 685575 COC1=CC=CC=C1NC(=O)CC(=O)NC2=CC=CC=C2OC 1 1.882 2 4 0 -6.72081760669935 685567 CC(C)C(=O)N1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32 1 1.172 3 3 0 -8.72433396577273 685560 CC1=C(C(=CC=C1)OCC2=NN=C(S2)N)C 1 2.29 3 1 1.60656940540108 685559 CC1=C(C=C(C=C1)OCC2=NN=C(S2)N)C 1 2.29 3 1 -0.33421830682501 685558 CC1=CC(=CC(=C1)OCC2=NN=C(S2)N)C 1 2.29 3 1 -0.471713587781181 685554 CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2 1 3.788 3 1 -17.2465488683766 685507 CC1=NN(C(=S)NC1=O)CC(C)C 1 1.505 3 1 0 -5.52926651327501 685544 COC1=C(C=C(C=C1)CONC2=NC=NC3=NON=C32)[N+](=O)[O-] 1 0.999 6 5 0 -5.69203481932773 685518 CC1=CC=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3N2 1 3.382 2 2 -6.9675538719696 685495 C1CCC2(C1)CC3=CC=CC=C3C(=C(C#N)C#N)N2 1 2.583 3 0 -3.53025130131758 685493 C1CCC2(CC1)C(=CC(=O)O2)NC3CC3 1 1.827 1 2 0 -3.49479857069188 685439 CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)OC(C)C 1 1.584 7 3 0 -26.2964375611524 685438 C1CCC(=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)CC1 1 4.905 2 2 -6.02969570872809 685437 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=NN=C(S2)C)C 1 2.511 3 2 -6.60343232253738 685436 CSC1=NC=CN1CC(=O)NC2=CC=C(C=C2)F 1 1.848 3 1 0 -6.24515261004101 685434 CN1N=C(N=N1)NC(=O)C2=CC=CC=C2F 1 1.396 5 1 0 -8.81790765161785 685425 C1CCCC2(CC1)CC3=CC=CC=C3C(=O)N2 1 3.283 1 1 -3.11634101814796 685390 CN1C=C(C(=N1)C(=O)NNC(=O)C2=CC=CC=C2)Br 1 1.698 4 2 0 -5.2740695898915 685360 CSC1=CC=C(C=C1)C=NN2C(=NN=N2)N 1 1.122 6 0 0 -2.18793617576453 685354 COC(=O)C1=C(OC(=N1)C2=CC=CC=C2)N3CCOCC3 1 1.91 2 4 0 -3.00485265626374 685322 C1COCCN1CCNC2=NC(=NC(=N2)NCC3=CC=CC=C3)Cl 1 1.925 6 1 0 -3.74098140012591 685287 CN1C(=O)C(=C(N=C1SC)C2=CC=CC=C2F)C#N 1 2.453 3 1 -2.11815267794915 685280 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCOCC3)F)C(=O)OCC 1 2.135 2 4 -4.48729508433239 685277 COC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3 1 3.324 2 2 -3.05618832177773 685263 CC(=O)NC1=NN=C(S1)CC2=CNC3=CC=CC=C32 1 1.677 4 1 0 -10.7365177250914 685262 C1=CC=C(C(=C1)CNN2C=NN=C2)OCC3=C(C=CC=C3Cl)Cl 1 3.387 4 1 -4.20410307697011 685255 CN1C=NN=C1SCC2=C(C=C(C=C2)C#N)Cl 1 2.61 4 0 -15.7871346376489 685244 CCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C 1 2.225 1 2 -4.23867197064651 685242 CCNC1=NN=C(S1)CSC2=NC3=CC=CC=C3S2 1 2.933 4 0 -7.97425064792093 685236 C1=CC=NC(=C1)SCC2=CC=C(C=C2)C(=O)O 1 2.973 1 2 -7.25695624475433 685225 CN(C)C1=C(C=C(C=C1)C(=S)N2CCOCC2)Br 1 3.265 2 1 -8.17088928160428 685220 CC(C)CC1=NN2C(=CC(=O)N=C2S1)O 1 2.314 3 2 -6.26581139363536 685204 CC1=C(C2=NC(=CC(=O)N2N1)COC)C3=CC=CC=C3 1 0.827 3 2 0 -5.86853661602779 685202 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)Br)C 1 4.011 2 0 -6.17970968000246 685191 CC1(CC(=CC(=O)C1)NC2=CC=CC=C2F)C 1 2.909 1 1 -13.3299669587156 685189 CCN(CC)CCNC1=CC(=O)OC12CCCCC2 1 2.174 2 2 -4.78994376958454 685180 C1CCC2(CC1)C(=CC(=O)O2)NCCC3=CC=CC=C3 1 3.242 1 2 -1.82964193677189 685177 CN1CCN(CC1)C2=CC(=O)OC23CCCCC3 1 1.831 2 2 0 1.09670847331343 685176 C1CCC2(CC1)C(=CC(=O)O2)N3CCN(CC3)C(=O)C4=CC=CC=C4 1 2.754 2 3 -4.98725977150039 685173 CCOC(=O)C1=C(NC(=O)N1)CNC2=CC=CC=C2C#N 1 0.526 4 3 0 -11.194979443227 685139 C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C=NN3C=NN=C3 1 2.914 4 1 7.41683079597659 685138 CC1=NON=C1OCCN2C(=NC=C2[N+](=O)[O-])C 1 0.461 5 4 0 -13.2668456544436 685136 CC1=CC(=NC2=CC=CC=C12)NC3=CC=C(C=C3)NC(=O)C 1 3.074 3 1 4.83935758088035 685128 CC1=CC(=NC=C1)NC(=O)C2=CC=CS2 1 2.442 2 1 -3.54167358905399 685121 CC1=CC=CC=C1[C@H]2[C@@H](SC(=C2C#N)N)C(=O)C3=CC=CC=C3 1 3.718 2 1 -5.55737039067394 685108 CC(=O)C1=C2C=CC=C(C2=C(C=C1)N(C)C)N(C)C 1 2.802 2 1 -5.63247503710615 685094 CN1C2=CC=CC=C2C3=NNC(=S)N=C31 1 1.994 4 0 0 -5.28066865981152 685093 C=CCN1C2=CC=CC=C2C3=NNC(=S)N=C31 1 2.611 4 0 -9.76612124369266 685073 CC1=C(C(=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C 1 3.359 2 3 -8.71894420619047 685070 C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NC=NC4=C3NC=N4 1 3.007 4 1 -2.7688963968543 685069 CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)OC 1 0.858 7 3 0 -23.9215640488702 685053 C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=C(C=C3)O 1 1.954 2 3 0 -1.0152659672803 685050 C1CN(C2=CC=CC=C2C1=O)C(=O)/C=C/C3=CC=CC=C3 1 2.962 1 2 -3.74062682648697 685040 COC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2 1 3.996 2 1 -2.83783567996287 685039 CC(=O)NC1=C(C(=CN1C)C(C)(C)C)C#N 1 1.653 3 1 0 -7.1870761644633 685026 C1=CC=C2C(=C1)C(=C(N2)C3=CC=CS3)SCC(=O)NN 1 2.79 3 1 -5.38175295407865 685022 C1CCC2(CC1)CC3=CC=CC=C3C(=C(C#N)C#N)N2 1 3.04 3 0 -3.88471981548565 685010 CCN1C=C(C(=C1NC(=O)C)C#N)C(C)(C)C 1 2.002 3 1 -8.10348969847733 685008 CC1=CC(=O)N=C(N1)SCC(=O)NC2=NC3=CC=CC=C3S2 1 2.23 4 2 -16.2050167441287 685004 CCN(CC)C1=NC2=CC=CC=C2C(=C1)C 1 3.281 2 0 2.36641509714366 684995 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4 1 0 -12.3694149112355 684396 CC1=NNC(=NC1=O)SCC(=O)NC2=NC=C(C=C2)Cl 1 1.241 5 2 0 -13.9853838026827 684394 CC1(CC(=CC(=O)C1)NC2=CC=C(C=C2)S(=O)(=O)N)C 1 1.408 2 3 0 -18.576525803256 684377 CC1=CC=C(C=C1)NC2=NC(=NC(=C2CC=C)C)SC 1 4.342 3 0 -2.0943530289357 684366 CC1=C(C(=S)NC(=C1)COC)C#N 1 1.089 2 1 0 -5.48681239767009 684365 CN1C2=CC=CC=C2C(=CC1=O)C3=CC=CC=C3 1 2.937 1 1 3.5949865439247 684357 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=C(C=C2C)C)Cl 1 3.295 2 2 -1.40321229707678 684352 C1=CC=C2C(=C1)N=C(O2)SCC(=O)O 1 1.92 1 3 0 -6.69790665101576 684344 C1CCC2(CC1)C(=CC(=O)O2)N(CCO)CCO 1 0.794 1 4 0 -1.34393336616807 684335 CN(C)C(=S)NC1=CC=CC(=C1)C2=NNC(=S)O2 1 3.761 4 1 -8.71669800688711 684324 CC1=C(C(=CC=C1)C)NC(=O)CNC2=CC=CC=C2 1 3.247 2 1 -9.25865354998327 684323 CCN1C2=C(C=C(C=C2)Cl)C3=C1C(=O)CCC3 1 4.155 1 1 1.48353932911467 684308 CC1=CC2=C(C=C1)N(C3=C2CCCC3=O)C 1 3.628 1 1 1.88055799476202 684290 CC1=CC=C(C=C1)C2=NN3C(=C(C=NC3=C2)C(=O)C)C 1 2.558 3 1 -3.31849183381216 684287 CC1=C(N=NN1C2=NON=C2N)C(=NN=CC3=CC=CC=C3)C 1 1.944 8 1 0 -17.3563479283998 684283 CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2C(=O)OC)C 1 2.171 3 3 -18.2236037128086 684261 C1COCCN1C(=S)C2=CC=C(C=C2)Cl 1 3.019 1 1 -2.95518379822178 684250 CCOC(=O)C1=C(N=C(C(=C1C2=CC=CO2)C(=O)OCC)C)C 1 2.566 1 5 -2.02775840226052 684242 CC1=NC(=C(C(=C1)COC)C#N)SCC2=CC=CC=C2 1 3.309 2 1 -10.5563602417546 684240 COC1=CC=CC=C1NC(=O)CN2CCOCC2 1 0.627 2 3 0 -10.5261496087764 684232 C1CCCN(CC1)C2=CC(=O)OC23CCCCC3 1 3.247 1 2 -1.58232859639699 684231 C1CCC2(CC1)C(=CC(=O)O2)N3CCOCC3 1 1.561 1 3 0 -3.471783045413 684228 CC1=NC2=C(C=CC=C2OC)C(=C1CC=C)Cl 1 3.954 1 1 -2.12758862002097 684207 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CC=C3 1 2.167 6 3 0 -21.4791435796859 684194 C1CC2=C(C1)N=C(C(=C2C3=CC=C(C=C3)F)C#N)N 1 3.138 3 0 0.136658314327457 684183 CC1=NC(=CS1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.98 2 2 2.89926999828423 684173 C1=CC=C2C(=C1)C=C(O2)C(=O)C3=CC=CS3 1 3.782 0 2 0.588943667947033 684171 C1CCC2(CC1)C(=CC(=O)O2)NCC3=CC=CC=C3 1 2.921 1 2 -2.24428042720611 684162 C1=CC=C2C(=C1)C=CC=C2NCC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.146 4 3 0 -8.98521907924194 684154 C1=CC=C2C(=C1)C=CC=C2NCC(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 2.882 3 3 -8.85614900862478 684148 CCCC(=O)NC1=NN=C(S1)CC2=CC=CC=C2 1 2.507 3 1 -16.6995016914188 684140 CC1(CC2=CC(=C(C=C2C3=NN=NN31)OC)OC)C 1 1.689 4 2 0 -10.648478640302 684139 CC1(CC2=CC=CC=C2C3=NN=NN31)C 1 1.722 4 0 0 -6.9208535053136 684136 CN1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=CC=C3 1 2.159 4 0 -0.770804798711662 684128 CC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)N)C 1 3.46 1 1 -1.06548710445971 684123 COC(=O)CSC1=NS(=O)(=O)C2=CC=CC=C21 1 1.532 1 4 0 -10.9574666970987 684082 C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=CC=C3)OC(=O)C4=CC=CO4 1 4.068 2 3 3.31123165316667 684085 CC1=CC=C(C=C1)OCC(=O)NCC2=CC=CC=C2OC 1 2.926 1 3 -10.7661821244644 684117 C1CNC2=C(C1=O)C=C(C=C2)C3=CC=CC=C3 1 2.831 1 1 1.736550692167 684104 COC1=CC2=C(CCCC2=NOC(=O)C3=CC=CS3)C=C1 1 3.843 1 3 -4.72445688643443 684089 CC1=NC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.522 3 1 -0.279789528745282 684074 CC(C)NC(=O)COC1=C(C=C(C=C1)Cl)Cl 1 2.928 1 2 -10.1041103041097 684061 CCC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=N2 1 3.339 2 1 -10.0611186709989 684041 CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=N3 1 4.269 2 2 -9.8172768983367 684033 CC(=NN1C(=NN=N1)NC2=CC=CC=C2)C3=CC=C(C=C3)N 1 1.474 7 0 0 -8.99931587814174 684025 CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC=CC=C2)C 1 3.044 3 1 -14.6736077511581 684024 CCOC(=O)CSC1=C(C(=CC(=N1)C)C)C#N 1 2.463 2 2 -16.2121867235359 684012 CC1=CC=C(C=C1)NCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 2.244 4 4 0 -8.09704243834381 684006 C1=CC=C(C=C1)CSC2=NN=NN2C3=CC=CC=C3 1 3.383 4 0 -16.2101904015648 683998 COC(=O)CCC(=O)NC1=CC(=CC=C1)Br 1 1.769 1 3 0 -11.7499662065495 683988 COC(=O)C1=CC=C(O1)C#CC2=CC=CC=C2 1 3.48 0 3 -3.09084963983357 683987 C1=CC=C(C(=C1)OC2=CC(=NC(=N2)N)Cl)F 1 3.004 3 1 0.7224464883192 683975 C1=CC(=CC(=C1)Cl)NCCC(=O)C2=CC=CS2 1 3.76 1 1 -2.28850362335996 683963 C1=CC=C2C(=C1)C(=O)NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.718 3 4 0 -3.08764554440976 683954 CC1=C(C(=NC(=O)N1C2=CC=CC=C2)SC)C(=O)C 1 2.441 2 2 -5.04318633762846 683952 CC1=CC(=NC(=N1)SCC2=CSC(=N2)N)C 1 1.728 4 0 0 -3.45583221127104 683950 C1=CC=C(C=C1)CCC(=O)NC2=CN=CC=C2 1 1.955 2 1 0 -7.94471749838647 683945 CCC1=CC=C(C=C1)C(=O)C23CN4CN(C2)CN(C3)C4 1 2.223 3 1 -4.59165881006673 683944 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CS3 1 2.343 1 3 -9.99933043668738 683933 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)S 1 3.778 0 2 -8.37009862827163 683854 C1=CC=C(C=C1)C=NNC(=O)CC(=O)NC2=CC(=CC=C2)Cl 1 2.648 3 2 -3.12854626317902 683837 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3 1 3.39 2 2 -1.50822437166845 683835 CC1=C(C=C(C(=N1)SCC2=CC=C(C=C2)F)C#N)C(=O)C 1 3.45 2 1 -11.1712411322768 683826 C1C(=O)NC2=C(C(=N1)C3=CC=C(C=C3)F)OC4=CC=CC=C42 1 3.101 2 2 3.45315375910166 683821 CC1=NN(C(=C1C#N)N)CC2=CC=CC=C2 1 1.602 4 0 0 -7.27604349435318 683816 CCN(CC)C1=CC(=O)OC12CCCCC2 1 2.571 1 2 -2.91493174708392 683809 CN(C)C1=CC=CC(=C1)NC(=O)CCC2=CC=CC=C2 1 3.267 2 1 -9.12326749708929 683802 CC1=NC2=C(C(=C1)C(F)(F)F)C3=C(S2)C(=O)C=C(N3)O 1 3.079 2 2 -2.72247781264163 683793 CC1=CC=CC=C1OCC(=O)NC2=CC=CC(=C2)NC(=O)C 1 2.056 2 3 -7.40355911610895 683783 CC1=CC(=O)OC(=C1C(=O)OCC(=O)C2=CC=CC=C2)C 1 2.355 0 5 -14.9371213835731 683777 C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)OC(=O)C4=CC=CO4 1 4.068 2 3 1.63771328761822 683772 CC1=CC=C(O1)C=NNC(=O)C2=CC=CC=N2 1 1.502 3 2 0 -7.42920642397155 683766 CC1=C(C2=CC=CC=C2N1C)C=NO 1 2.301 2 1 3.33599359779152 683756 CC1=C(C2=CC=CC=C2N1C)C#N 1 2.353 2 0 -1.55222800503349 683745 CCOC1=CC2=C(C=C1)NC(=O)C(=O)N2 1 0.383 2 3 0 -7.18855586674799 683744 CN1CCN(CC1)CC2=C(C3=C(C=CC=N3)C(=C2)COC)O 1 1.609 3 2 0 5.15284415934949 683741 CC1=NN=C(S1)SCC2=CC(=C(C=C2)OC)F 1 2.879 2 1 -11.3593502446067 683728 COC1=CC=C(C=C1)C=NOC(=O)NC2=CC=CC=C2OC 1 3.019 2 4 -3.78539737609894 683726 C1=CC(=CC(=C1)OCC(=O)NN=CC2=CC=CO2)[N+](=O)[O-] 1 1.808 3 5 0 -8.99441572571257 683719 CSC1=C(C(=NC(=N1)N)SCC(=O)C2=CC=CC=C2)C#N 1 3.122 4 1 -10.4498364409073 683718 CC1=CC=C(C=C1)C(=O)CSC2=NC(=NC(=C2C#N)SC)N 1 3.608 4 1 -9.65418887339798 683700 CC1=NC(=C2C(=C1)COC2=O)SC3=CC=CC=C3 1 3.228 1 2 -2.29009491446695 683684 CC1=CC(=C(C(=C1)C2=CC=C(O2)C=NN3C=NN=C3)C)[N+](=O)[O-] 1 3.116 5 3 0 1.609362360439 683683 CC1=CC(=NN2C1=NN=C2)C 1 0.927 4 0 0 -4.17262764186427 683678 CC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)C)C 1 2.158 0 3 -11.7496685604001 683661 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCC3=CC=CO3 1 2.414 1 3 -4.28403003380802 683651 CC1=CC=C(C=C1)NCC(=O)NN=CC2=CC=NC=C2 1 1.679 4 1 0 -8.63390696443177 683642 CC1=CC(=NC(=C1C#N)SCC(=O)C2CC2)C 1 2.747 2 1 -13.7324477743315 683551 C1=CC=C(C=C1)C(=O)CN2C=NC(=N2)[N+](=O)[O-] 1 1.467 4 3 0 -7.32094414700763 683546 C1=CC=C(C=C1)C(=O)CN2C=CC(=N2)[N+](=O)[O-] 1 2.169 3 3 -8.82037496944864 683545 CC1=CC(=NN1CC(=O)C2=CC=CC=C2)[N+](=O)[O-] 1 2.314 3 3 -9.36066293448974 683499 C1COC2=C(O1)C=CC(=C2)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl 1 3.586 0 4 2.13648324568827 683497 C1=CC=NC(=C1)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.735 2 2 -1.49411352166604 683495 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=C(C=C3)OC 1 3.569 0 5 -8.49652476482694 683443 C1CN(C2=CC=CC=C2C1=O)C(=O)C3=CC=CS3 1 2.448 1 2 -11.3845370803305 683426 CCOC(=O)N1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C 1 1.624 2 4 0 -16.8831787012491 683416 C1CC(=O)N(C1=O)C2=CC=CC=C2C3=CC=CC=C3 1 2.508 1 2 -3.80426387634439 683407 COCC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=CC=C3 1 0.314 3 2 0 -2.50856407451986 683406 CC(=O)OC1=CC2=C(C=C1)C(=O)OC(=N2)C3=CC=CC=C3 1 2.908 1 4 -7.36139145152432 683402 C1COCCN1C2=NC(=CS2)C3=CC=C(C=C3)F 1 2.209 2 1 2.783623788759 683389 C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.195 2 3 -18.7605180930847 683385 C1CCN(CC1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F 1 4.519 1 1 0.501662700516998 683376 C1=CC(=C(C(=C1)Cl)C2=NN=C3N2C=C(C=C3)C(F)(F)F)F 1 4.057 3 0 0.569961530769665 683375 C1=CC(=C(C(=C1)Cl)C2=NN=C3N2C=C(C=C3)C(F)(F)F)Cl 1 4.516 3 0 0.954375761068081 683373 CC(C)CNC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)O 1 3.378 1 3 -8.91337826003852 683368 CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=NN3C=NN=C3)OC 1 3.081 4 2 -3.26594075158504 683355 CC1CCC2(CC1)C(=NC(=S)N2CC#N)NC3=CC(=CC=C3)Cl 1 4.881 4 0 -0.555666278363391 683338 C1CC2=CC=CC=C2N(C1)C3=NS(=O)(=O)C4=CC=CC=C43 1 2.933 2 2 -7.23182896590005 683336 CC1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2O)Cl 1 3.681 2 1 2.50137394838027 683332 C1COCCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)F 1 3.289 1 2 -2.3113052691221 683310 CCC1=C(C(=C(C(=S)N1)C#N)C2=CC=CC=C2)C(=O)OC 1 2.94 2 2 -6.85145070190815 683306 CC(=O)OC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)O2 1 3.573 1 4 -5.14582551019224 683290 CC1=CC(=NN1S(=O)(=O)C2=CC=C(C=C2)F)C 1 2.264 2 2 -7.94073940105272 683283 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=N4 1 3.669 3 1 -3.62736593377636 683278 C1=CC=C2C(=C1)N=NN2S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 4.121 3 2 -5.49257913381922 683264 CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC 1 2.671 1 3 -11.6238089069787 683253 C1CCN(CC1)C2=NN3C(=NN=C3C(F)(F)F)C=C2 1 2.2 5 0 -2.00916508309204 683251 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3 1 1.049 3 3 0 -23.9675413145382 683242 CC1=CC=CC2=C1N=C(OC2=O)C3=CC=C(C=C3)OC(=O)C 1 3.394 1 4 -5.39811499798105 683236 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CCOC3=CC=CC=C3)C 1 4.069 1 4 -3.12134866852597 683229 CC1=CC=CC=C1OC(=O)N2C3=C(C=C(C=C3)Cl)OC2=S 1 5.599 1 3 8.99247166830369 683176 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)Cl 1 3.161 3 1 -0.358270757857322 683178 CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl 1 2.389 4 2 -6.00927035574667 683191 CN1C=C(C2=CC=CC=C21)C=C(C#N)C#N 1 2.515 3 0 1.42549502219139 683219 C1CCC(CC1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.851 1 3 -8.40110939603123 683130 CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=CS3 1 3.58 1 2 -5.47371832126266 683121 C1COCCN1CC(=O)NC2=CC=CC=C2C#N 1 0.523 3 2 0 -9.53247066372752 683107 CC1=CC(=NC=C1)NCC2=C(C=C(C=C2)OC)O 1 2.366 2 2 5.17229321868612 683098 CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)OCC 1 1.207 7 3 0 -24.6467832041535 683053 C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)C4=NON=C4N 1 3.749 5 1 -1.1888504310795 683048 CCC1=C(N=C2C(=C(NN2C1=O)C)C3=CC=CC=C3)C 1 2.21 3 1 -6.99264829194733 683045 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2)C(=O)CN3CCCC3 1 1.099 3 3 0 -18.0190790513066 683031 CC1(CC2=NC(=NC=C2C(=O)C1)NC(=O)CCC3=CC=CC=C3)C 1 2.834 3 2 -18.4190989086935 683024 CC1=CC(=NC2=C1C(=C(S2)C(=O)C3=CC=CC=C3)N)C 1 3.458 2 1 -3.43327116649033 682984 CC1=CC=C(O1)[C@H]2C(=C(OC3=C2C(=O)OC(=C3)C)N)C#N 1 0.863 2 4 0 -15.6539319914088 682935 CC1=CC(=NO1)NC(=O)C2=CC=CO2 1 1.148 2 3 0 -12.0373134963555 682894 CC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=CO4)SC3=N2 1 3.747 3 2 -4.51827004747107 682848 COC1=CC=C(C=C1)C(=O)NNC2=NCCCCC2 1 1.619 3 2 0 -7.81567969414076 682836 CSC1=NC(=O)N(C=C1)CC2=C(C=CC=C2Cl)Cl 1 3.572 2 1 -0.805977016613844 682824 C1=CC=C(C=C1)C2=CC3=C(S2)N=CNC3=O 1 2.346 2 1 -3.37681743373628 682816 CC1=C(C=CC(=C1)N2CCCC2)C=NN3C=NN=C3 1 2.154 5 0 3.70506262017066 682814 CCOC1=CC2=C(C=C1)C=CC(=C2C=NN3C=NN=C3)OCC 1 2.618 4 2 2.47843713980085 682811 C1=CC=C2C(=C1)C(=NC2=NC3=CC=C(C=C3)Br)N 1 3.296 3 0 3.69265840126942 682810 CC1=C(C=CC(=C1)Cl)N=C2C3=CC=CC=C3C(=N2)N 1 3.698 3 0 6.16965688687863 682793 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)F 1 2.582 2 2 -4.32663277703244 682785 CC(C)(C)N(C(=O)C1=CC=CC=C1Cl)NC(=O)NC2=CC=CC=C2 1 3.581 3 2 -5.00946376698902 682784 CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 1 3.571 2 3 -6.62774843532208 682772 C1=CC=C2C(=C1)C=CC=C2COC3=CC=C(C=C3)C=NN4C=NN=C4 1 3.52 4 1 2.13111118600443 682756 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(F)(F)F 1 1.268 4 3 0 -9.76710384895383 682699 COC1=C(C=CC(=C1C(=O)NCC2=CC=CO2)Cl)Cl 1 3.115 1 3 -9.0125152919213 682698 C1CCN(CC1)C(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.573 2 2 -8.4672559863318 682633 COC(=O)NC1=CC=C(C=C1)SCC(=O)C2=CC=C(C=C2)Cl 1 4.055 1 3 -1.07197055628997 682630 C1C2=CC=CC=C2C3=NC(=C(N31)Br)C4=CC=CC=C4 1 4.116 2 0 6.51206654899204 682606 CC1=NC2=NON=C2C(=C1C(=O)C)N 1 -0.28 4 2 0 -7.31376942468228 682604 CC(=NNC(=O)C1=CC=CC=C1O)C2CC2 1 1.505 2 2 0 -4.89222800345783 682602 C1=CC=C(C=C1)C2=NNC(=S)C3=CC=CC=C32 1 3.52 2 0 -4.2410749854394 682580 COC1=CC(=C(C=C1C(=O)OC)Cl)NC(=O)C2=CC=CO2 1 2.513 1 5 -8.40160385638689 682575 C/C(=C/C1=CC=CC=C1)/C=C/2\C(=O)N=C(S2)N3CCOCC3 1 3.01 2 2 -9.12068225894232 682570 C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.723 1 4 -10.4753476192966 682562 CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.413 1 4 -4.29804601846099 682559 COC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.283 2 4 -6.01229788163765 682558 CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.786 2 3 -5.45405510129395 682457 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.413 1 4 -3.24474226522979 682454 COC1=CC=CC=C1NC(=O)/C=C/C(=O)O 1 1.177 1 4 0 -7.14391835739928 682447 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2 1 2.057 1 3 -6.58159520124598 682361 C1=CC=C(C=C1)C(=O)/C=C/2\C3=CC=CC=C3NC2=O 1 2.616 1 2 -1.97137673957098 682329 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CN=CC=C2 1 2.615 3 1 -9.78552049248445 682310 C1=CC=C(C=C1)C(=O)CSC2=C(C=CC(=N2)C3=CN=CC=C3)C#N 1 3.691 3 1 -7.72676686295673 682264 CC1=C(N=C2C(=C1C)C(=C(S2)C(=O)C3=CC=CC=C3)N)C 1 3.944 2 1 -3.41431917465242 682256 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CNC3=CC=CC=C3 1 2.111 3 3 -10.2825763977719 682244 C1=CC2=C(C(=O)N=C2C=C1)NC3=CC=C(C=C3)Cl 1 2.872 2 1 -0.94060345040761 682232 CCOC(=O)C1=C(N=C2N1C=CC(=C2)C)C 1 1.971 2 2 0 -5.76402787536124 682231 C1CCCN(CC1)C2=NC(=O)N=C(N2)N3CCCCCC3 1 3.019 5 1 -6.13033582748679 682230 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NCC3=CC=CO3 1 0.935 2 4 0 -16.1852518145173 682229 COC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.73 2 4 0 -9.16476080634396 682224 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 2.308 4 4 0 -10.5289981813779 682223 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.473 4 3 0 -9.0159305357795 682221 CC(C)OC(=O)CNC1=NNC(=S)NC1=O 1 1.9e-002 4 3 0 -18.6769677651819 682205 C1=CC=C2C(=C1)N=NN2OCC3=C(C=C(C=C3)Cl)Cl 1 2.169 3 1 4.14588882648632 682204 CC1=CC(=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 2.233 2 3 -6.96154327039547 682195 COC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2 1 2.934 0 3 -4.06564782783579 682184 CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2 1 2.262 2 2 -6.17416273854798 682179 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=NC=C2)Cl 1 1.385 3 2 0 -7.09181673169794 682177 COC(=O)C1=CC(=CC=C1)NCN2C(=O)C3=CC=CC=C3C2=O 1 2.157 2 4 -8.98775328515538 682170 CCOC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)OC 1 2.766 1 4 -6.10488225784291 682163 CC(C)(C)C(=O)NC(=S)N1CCOCC1 1 2.017 2 2 -17.4734713073678 682158 COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2Cl 1 4.414 2 2 -8.62080423971205 682157 C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=CO2 1 2.676 2 2 -12.1429048226642 682151 C1COCCN1C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 1.293 2 4 0 -8.68974126433578 682145 C1COCCN1C(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 1.167 1 4 0 -8.02691498417071 682137 COC1=CC=CC=C1N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.331 1 3 -3.25246890906008 682075 CC1=CC=C(C=C1)NC2=C3C(=NC2=O)C=CC(=C3Br)C 1 3.593 2 1 -1.01352108623153 682055 C1=CC=C(C=C1)/C=C/C(=O)NC(=S)N 1 1.947 2 1 0 -2.01426581500615 682038 C1CCCC(=NNC(=O)CC(=O)NCC2=CN=CC=C2)CC1 1 1.021 4 2 0 -15.8936530399314 681971 C1=CC(=CC=C1OCC2=NNC(=S)O2)Cl 1 3.043 2 2 -2.72584386727339 681947 C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=C(N3)N 1 0.187 5 1 0 -1.95062673221039 681940 CC1=C(N2C=CC=CC2=N1)C(=O)NC3CCCCC3 1 2.347 3 1 -7.01061024516963 681933 CC1=CC=C(O1)C(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3 1 3.715 1 3 0.524337152563863 681924 CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC 1 1.718 2 3 0 -7.5614021061878 681912 CC(=O)NC1=CC=CC(=C1)N2CC3=C(C2=O)C(=C(C=C3)OC)OC 1 1.661 2 4 0 -10.0142398561341 681893 COC(=O)C1=CC=CC=C1NC(=O)C2=CC=CS2 1 2.423 1 3 -11.7870316600412 681885 C1=CC(=C(N=C1)C2=C(C=CC=N2)C(=O)O)C(=O)O 1 1.163 2 4 0 -1.88413588883115 681882 CCCC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CN=CC=C2 1 1.954 3 3 0 -9.23788077189431 681823 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CNC3=C2C=C(C=C3)OC 1 3.409 2 3 -5.19432271858392 681811 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3OC 1 3.114 1 4 -11.0027239309761 681807 COC1=CC=C(C=C1)N=CC2=CC=C(O2)C3=CC=CC=C3 1 4.615 1 2 9.41295100790689 681798 CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=C(C=C(C=C3)Cl)Cl 1 2.812 4 2 -5.06304035041684 681762 C1=CC(=CN=C1)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl 1 3.457 2 1 -3.51304783847216 681702 CCOC(=O)C1=C(N=C(S1)NC(=O)/C=C/C2=CC=CC=C2)C 1 2.857 2 3 -10.544908486025 681677 CCOC(=O)CSC1=NC(=O)C(=NN1)NCC(=O)OC 1 -0.208 4 5 0 -22.6674943955586 681669 CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CN3CCOCC3)C 1 2.917 2 2 -6.91353834218671 681612 C1CC2=C(C1)C=C(C=C2)OCC3=CC=C(O3)C(=O)NCC4=CN=CC=C4 1 3.568 2 3 -12.8319282470242 681611 CC1=C(C=CO1)C(=O)N2CCCC3=CC=CC=C32 1 2.6 1 2 -7.01926026944298 681552 CC1=CC(=NN1)C(=O)NN=CC2=CN=CC=C2 1 0.55 5 1 0 -7.70239168597178 681547 COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCC2=CC=CC=C2 1 2.405 1 5 -4.98281828434093 681541 C1=CC=C(C(=C1)NC(=O)/C=C/C(=O)O)SC(F)(F)F 1 3.872 1 3 -4.96712170131878 681539 CN(C)C1=CC=C(C=C1)C=NS(=O)(=O)C2=CC=CC=C2 1 3.163 2 2 -6.88308655852094 681538 COC1=C(C=C(C=C1)C=NS(=O)(=O)C2=CC=CC=C2)OC 1 2.968 1 4 -8.51394993863172 681536 CC(=NNC(=O)C1=NNC2=C1CCC2)C3=CC=CS3 1 2.416 4 1 -14.7776443053918 681535 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NCC2=CN=CC=C2 1 1.833 3 3 0 -10.2892288024756 681533 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)/C=C/C(=O)O)C 1 3.873 1 4 2.65268224609194 681519 CC1=C(SC=C1)C=NN2CCN(CC2)C3=CC=CC=C3OC 1 3.616 3 1 1.38810612421756 681518 CC1=CC=C(C=C1)CN2CCN(CC2)N=C/C(=C/C3=CC=CC=C3)/C 1 4.397 3 0 1.73075802661864 681512 CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=CC=CC=C3 1 3.59 3 0 4.50104063107142 681510 CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=CC=C(C=C3)C 1 4.077 3 0 3.84666550593822 681505 CC1=CC=C(C=C1)CN2CCN(CC2)N=C(C)C3=CC=CO3 1 2.966 3 1 5.7640530308958 681483 COC1=CC=CC=C1N2CCN(CC2)N=CC3=CC=CC=C3 1 3.176 3 1 1.76085833390536 681478 CC(=NN1CCN(CC1)C2=CC=CC=C2)C3=CC=CO3 1 2.569 3 1 5.02755043269332 681477 CC1=CC=C(O1)C=NN2CCN(CC2)C3=CC=CC=C3OC 1 2.717 3 2 1.20331187704445 681439 COC1=CC=C(C=C1)N2C3=C(CCCC3)C(=S)N=C2C4=CC=CC=C4 1 5.15 2 1 -7.8021188599974 681388 C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)Br 1 5.115 2 0 -3.26166481201305 681331 C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C#N 1 4.245 3 0 -5.94731852082108 681326 C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.081 3 3 -4.45624590443494 681321 C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Br)Cl 1 3.935 2 1 -0.759094402960717 681316 C1=CSC(=C1)C=NC2=C(C=CC(=C2)[N+](=O)[O-])F 1 3.479 2 2 1.29331569208491 681265 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 4.164 2 1 -4.28004426496136 681252 C1=COC(=C1)C(=O)NC2=CC(=C(C=C2)Br)Cl 1 3.422 1 2 -1.33019712287441 681250 C1CC2=C(C1)N=C(C(=C2)C#N)SCC3=CC=CC=C3 1 4.286 2 0 -12.3860398990282 681249 CC1CCN(CC1)C(=S)NC2=CC=C(C=C2)F 1 4.422 2 0 -12.5969691533761 681247 C1CCN(C1)C(=S)NC2=CC=C(C=C2)F 1 3.714 2 0 -9.55339103530358 681239 C1=CC=C2C(=C1)C=CC=C2NC(=S)NC3=CC=C(C=C3)F 1 5.48 2 0 -4.02854035808851 681236 C1=CC=C(C(=C1)NC(=S)NC2=CC=C(C=C2)F)Cl 1 5.236 2 0 -3.05152833155608 681234 C1CC2=CC=CC=C2N(C1)C(=S)NC3=CC=C(C=C3)F 1 5.456 2 0 -8.58166372092422 681230 CC(=C)CSC1=NC2=C(CCC2)C=C1C#N 1 3.766 2 0 -15.3598068296257 681229 CSC1=NC2=C(CCC2)C=C1C#N 1 2.703 2 0 -9.24915104061444 681214 C1CN(C2=CC=CC=C21)C(=O)C3=CC=CC=C3 1 2.895 1 1 -10.5518875991158 681202 CC1=C(SC(=C1C(=O)N)NC(=S)NC2=CC=C(C=C2)F)C 1 3.992 3 1 -9.36279185695788 681195 CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)F 1 4.312 2 1 -6.31087940660705 681194 C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)F)O 1 4.33 2 1 -0.716218382509039 681190 CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)F 1 5.058 2 0 -2.59609249364819 681189 C1CN(C2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)F 1 5 2 0 -10.1110340478325 681184 C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)Br)F 1 5.32 2 0 -2.2307535481628 681176 COC1=CC(=C(C=C1C=NNC(=S)N)Br)OC 1 2.515 3 2 -4.91011218250709 681172 CC(=NNC(=O)C1=CC=CS1)C(C)(C)C 1 2.489 2 1 -8.63907426463973 681168 COC1=CC=C(C2=CC=CC=C21)C=NNC(=O)C3=CC=CS3 1 3.528 2 2 -2.56825768995556 681164 C1=CC=C(C=C1)COC2=CC=CC=C2C=NNC(=O)C3=CC=CS3 1 4.203 2 2 -5.02392422006137 681153 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)O)C(=O)O 1 1.259 2 5 0 -6.29525956162533 681126 C1=CC=C(C=C1)NC(=O)NN=CC2=C(C=C(C=C2)Cl)Cl 1 3.92 3 1 0.560788760109808 681119 CC1=CC=C(S1)C=NC2=CC=CC=C2C(=O)N 1 2.527 2 1 4.55679108378459 681116 CC1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 4.697 2 1 1.60521846833118 681104 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl 1 4.829 2 1 -1.36936654481695 681080 CC1=C(C=C(C=C1)NN=C(C#N)C(=S)N)C 1 2.768 4 0 0.960419175924888 681073 CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)Br 1 3.856 1 1 -6.5306472506651 681049 C1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.201 2 1 -2.02158713307007 681024 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CO3 1 4.037 1 3 -2.67119543527238 681007 C1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)Br)Cl 1 4.062 1 1 -3.60701258364155 680998 C1CC1C(=O)NNC(=S)NC2=CC=CC=C2 1 2.367 3 1 -8.55044149275767 680996 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O 1 1.134 2 5 0 -12.6467046239034 680931 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N 1 2.667 3 2 -19.7069814698137 680935 C1=CC=C(C=C1)NC(=O)C2=CC=NN2 1 1.35 3 1 0 -3.78027224342557 680979 CC1=C(SC(=C1C(=O)N)NC(=O)NC2=CC=CC=C2)C 1 1.943 3 2 0 -6.71609711502292 680959 CC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3 1 2.11 3 3 -8.95513393286639 680922 CN(C1=CC=CC=C1C(=O)N2CCOCC2)C(=O)OC 1 0.901 2 4 0 -13.3193663122783 680874 C1=CC(=CC=C1C(=O)CSC2=NC=NC3=C2NC=N3)Cl 1 2.763 4 1 -3.63434024944936 680848 CC1=CC(=C(O1)C)C(=O)NC2=CC=CC(=C2)/C=C/C(=O)O 1 2.107 1 4 -3.75008026764045 680846 CC1=CC=C(C=C1)N2C3=CC=CC=C3C=C4C2=NC(=O)N(C4=O)C 1 3.346 3 2 3.27475917741447 680844 CC(=C)CN1C(=O)C2=CC=CC=C2NC1=S 1 3.205 2 1 -9.13736930611731 680838 C1=CC(=CC=C1C2=CSC3=C2C(=O)N(C=N3)N)Cl 1 2.227 3 1 0.73213710289358 680784 C1=CC(=O)N(C=C1)CC(=O)C2=CC=CS2 1 1.091 1 2 0 -9.06992939617985 680824 CC1=CN2C(=NC(=C(C2=O)C=O)NC3=CC=CC=C3)C=C1 1 1.886 3 2 0 -7.39033633854285 680802 CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2 1 3.487 3 1 -7.69016031952047 680797 COC1=CC=C(C=C1)C2=CSC(=N2)NC3=NCCCCC3 1 3.306 3 1 1.7631574443146 680795 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.833 1 2 -1.79532013737673 680776 CC1=CC=C(C=C1)C2=CSC(=N2)NN=CC3=CC=CO3 1 3.637 3 1 4.14442011421035 680769 CC1=CC=C(C=C1)C(=O)CN2N=C(N=N2)C3=CC=CC=C3 1 3.247 4 1 -0.194011985507337 680766 C1=CC=C2C(=C1)N=C(S2)NC(=O)CCC(=O)O 1 1.421 2 3 0 -6.97909233321329 680765 C1CC2=NN=C(N2C1)C3=CC(=CC=C3)Br 1 2.589 3 0 -0.491607840274927 680743 C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3NC2=S 1 4.146 2 1 -6.69137204751857 680713 CCOC(=O)NC1(OC2=CC=CC=C2O1)NC3=CC=C(C=C3)C 1 5.52 2 4 -5.85883219666444 680707 CC(=O)NC1(OC2=CC=CC=C2O1)C(Cl)(Cl)Cl 1 3.341 1 3 -4.24945943078084 680704 C1=CC=C(C=C1)NC(=O)OCN2C(=O)C3=CC=CC=C3C2=O 1 2.256 2 4 -4.77039499194393 680683 COC1=CC=CC(=C1OC)C=NNC(=O)C2=NC=CN=C2 1 0.777 4 3 0 -8.88245348226637 680680 COC1=C(C(=C(C=C1)C=NNC(=O)C2=NC=CN=C2)OC)OC 1 0.761 4 4 0 -9.13045709031939 680678 CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CC=CS2)C 1 2.337 4 1 -13.050543058538 680670 CC1=C(C(=NN1)N)C2=CC(=C(C=C2)OC)OC 1 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CN1C2=CC=CC=C2N=C1COC3=CC=CC=C3OC 1 3.295 2 2 -0.165731104646897 678644 CN1C(N(C2=CC=CC=C21)C)C3=CC4=C(C=C3)OCO4 1 3.524 2 2 -4.20386164149136 678642 CC1=CC=CC=C1OCC2=NC3=CC=CC=C3N2C 1 3.798 2 1 3.79473144821393 678639 CC1=C(C=C(C=C1)OCC(=O)NC2=CC=C(C=C2)F)C 1 3.627 1 2 -3.83971290967938 678620 COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCC3)N)C#N 1 2.916 3 1 -0.988184920281934 678618 C=CCN1C2=CC=CC=C2N=C1P(=O)(C3=CC=CC=C3)O 1 3.643 2 2 -6.23853797469187 678599 CCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)O)C 1 3.149 0 4 -5.90687736594795 678598 C1COC2=C(O1)C=CC(=C2)C(=O)CC3=CC=CC=C3 1 3.054 0 3 -5.18337553673389 678578 CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=CC=CC=C3 1 2.491 2 1 -2.65979877927528 678577 CC1=CC=CC=C1CN2C=NC3=CC=CC=C3C2=O 1 3.026 2 1 -3.50182287726679 678574 CC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl 1 4.069 3 1 -5.24161332127115 678569 CCOC(=O)C1=C(C(=C(N1)C)CC(C)C)C 1 3.701 1 2 -4.63724196875707 678550 CCC1=CC(=C(C(=C1C=NNC(=O)N)CC)C=NNC(=O)N)CC 1 2.615 6 2 0 -6.06484181480795 678544 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)N 1 2.786 2 2 -12.0466944337368 678528 CC(=NNC(=O)C1=CC=NC=C1)C2=CC=CS2 1 1.466 3 1 0 -10.190581723162 678527 C1=CC=NC(=C1)C=NNC(=O)C2=CC=CO2 1 1.356 3 2 0 -3.39819397005246 678521 CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N 1 1.122 2 2 0 -10.3054231657254 678517 C1=C(SC=C1Br)C=NO 1 2.358 1 1 6.29016883613699 678514 CCC1=CC=C(S1)/C=C(/C#N)\C(=O)OCC 1 3.106 1 2 -7.94926521191617 678473 CC1=CC(=C(C(=C1C=NO)C)COC)C 1 2.919 1 2 2.27317191997208 678470 CC1=CC(=C(C(=C1C)/C=C(/C#N)\C(=S)N)C)C 1 3.951 2 0 -4.89214848277379 678463 CC1=CC(=C(C(=C1C=NNC(=O)N)C)C=NNC(=O)N)C 1 1.246 6 2 0 -4.92809169032077 678451 CC1=CC(=C(C=C1)C2C(=C(SC(=C2C#N)N)N)C#N)C 1 2.435 4 0 -3.45178393714856 678442 CC1=CC(=C(C(=C1)C)/C=C(\C#N)/C(=S)N)C 1 3.465 2 0 -5.26690413500968 678423 COC1=CC=C(C=C1)C2=NC(=NO2)C3=CN=CC=C3 1 1.978 3 2 0 4.54610103381578 678408 CC1=CC(=C(S1)S(=O)(=O)C)C(=O)O 1 0.917 0 4 0 -4.63203983909045 678404 CCS(=O)(=O)C1=CC=C(S1)S(=O)(=O)CC 1 1.49 0 4 0 -8.30444506741885 678368 C1CCC2=C(C1)C3=C(N=CN=C3S2)N4C5=CC=CC=C5N=N4 1 4.421 5 0 -8.34579950219194 678367 CC1=CC=CC=C1NC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N 1 2.433 5 1 -16.0403282573573 678358 C1=CC=C(C=C1)C2=C(SC(=N2)N)C(=O)NC3=CC=CC=C3 1 3.103 3 1 2.43021954980343 678352 CC1=CC=C(C=C1)C(=O)ON=CC2=CC3=C(C=C2)OCO3 1 3.398 1 4 -1.26943023910307 678327 C1=CC=C(C(=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)Cl)C(=O)O 1 2.001 2 5 0 -9.5918708828899 678309 CC(=O)OC1=CC2=C(C=C1)OCC3=CC=CC=C3C2=O 1 2.738 0 4 -1.00133696645333 678304 CC1=CC=CC=C1/C=C\2/C3=CC=CC=C3C(=O)O2 1 3.608 0 2 0.966546124843415 678302 CC1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3C(=O)O2 1 3.608 0 2 0.630710424431966 678297 CC1=NN(C2=C1C=C(S2)C(=O)N3C=CC=N3)C4=CC=CC=C4 1 3.468 4 1 -4.0071346611848 678292 CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)C(=O)O 1 2.246 2 3 -5.51408448914594 678291 CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=CC=C3C(=O)O 1 2.246 2 3 -5.56034705116087 678271 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.453 3 3 -3.72634462197376 678249 C1=CC=C2C(=C1)C=CC(=N2)NC(=O)C3=CC=CC=C3Br 1 4.088 2 1 0.127037423731472 678218 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCCC2 1 1.658 2 3 0 -11.6901920128689 678193 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)C 1 1.914 3 4 0 -14.5994047465359 678138 CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O 1 2.623 3 2 -9.25346313269196 678137 CN1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)C#N 1 1.548 3 1 0 -4.6605476872843 678100 C1COCCN1CCNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.682 2 2 -3.68094011153515 678099 C1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2O)Br 1 3.513 2 1 5.49387291653612 678089 CCCC1=NN=C(S1)NC(=O)CC(=O)NC2=CC=CC=C2C(=O)O 1 1.403 4 4 0 -13.4080307359696 678087 CCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C 1 2.709 4 2 -10.7440198090657 678082 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)OC 1 2.567 2 4 -4.92686937374258 678080 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CN=CC=C2 1 1.414 2 4 0 -8.53415846409868 678077 CN(C1=CC=CC=C1)NC(=O)COC2=CC=CC=C2 1 2.678 2 2 -6.22447059669834 678056 CC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C)C 1 4.319 3 0 0.894153167330766 678008 CCOC(=O)C1=CC2=C(S1)N(N=C2C)C3=CC=CC=C3 1 3.574 2 2 -7.35016309604455 678003 CN1C2=CC=CC=C2N=C1COC3=CC=CC=C3 1 3.311 2 1 3.26479380214727 677985 CC1(CC(=O)C(=NNC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)C1)C 1 4.078 2 2 -3.73175622526415 677972 CC1=C(C=C(C(=O)O1)NC(=O)C2=CC=CC=C2)C(=O)C 1 1.016 1 4 0 -10.0696327056002 677963 C1=CC(=CC(=C1)[N+](=O)[O-])NCC(=O)NN=CC2=CC=C(C=C2)F 1 2.443 4 3 0 -8.95281321655409 677944 CN1C2=CC=CC=C2N=C1COC3=CC=CC=C3Br 1 4.06 2 1 3.89338043764018 677942 COC1=CC2=C(C=C1)OCC3=CC=CC=C3C2=O 1 2.954 0 3 2.14897409404079 677934 C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.201 2 4 0 -4.32833526283918 677925 CN1C2=CC=CC=C2N=C1C(=O)C3=CC=CC=C3 1 3.362 2 1 -1.59007492261945 677923 C1=CC=C(C=C1)C2=CC=C(C=C2)N3C=CN=C3 1 3.018 2 0 4.45757582186744 677922 C1=CC(=CC(=C1)F)NC(=O)CC(=O)NC2=CC(=CC=C2)F 1 2.326 2 2 -1.39809719351362 677918 CC1=C(C=NC2=CC(=NN12)C3=CC=C(C=C3)Cl)C(=O)C 1 2.736 3 1 -1.30819654889154 677900 C1=CC=C(C=C1)COC2=NC=NC3=C2C(=CC=C3)F 1 3.699 2 1 2.44260165808815 677888 C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=CC=C(C=C3)Cl 1 3.204 2 1 0.482844748781155 677885 C1=CC=C(C=C1)CC2=NN=C(O2)C3=CC=C(C=C3)Br 1 3.837 2 1 -3.55804899638949 677882 C1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)O)C(=O)O 1 3.331 0 4 4.704489461862 677881 C1=CC=C(C=C1)C2=C(OC3=CC=CC=C3O2)C=O 1 2.648 0 3 0.584309859770143 677878 C1OC2=C(O1)C=C(C=C2)C=NOC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.806 2 6 0 -3.3638280264603 677877 C1=CC=C2C(=C1)C(=O)C(=C(N2)O)C3=CC=CC=C3[N+](=O)[O-] 1 3.025 2 4 -4.87903952071904 677858 C1OC2=C(O1)C=C(C=C2)C=NOC(=O)C3=CC=CC=C3Cl 1 3.576 1 4 -0.465968515074755 677846 C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=CN=CC=C4)S3 1 2.851 3 1 -8.29368071052498 677809 CCN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.038 2 4 0 -17.0440370475088 677808 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(=O)N 1 5.e-003 6 3 0 -8.97188315744968 677773 CN1CCN(CC1)CC2=C(C=CC=C2Cl)F 1 2.73 2 0 1.13043982517264 677768 CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C(=S)N 1 2.866 3 0 -10.3829614325142 677762 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C 1 1.975 3 2 0 -9.61936144532094 677744 CN1C2=C(N=C1NN)N(C(=O)N(C2=O)CC3=CC=CC=C3)C 1 0.663 6 2 0 -6.02883147576391 677706 CC(=O)NC1=CC=C(C=C1)OC2=NC(=CC(=N2)OC)OC 1 2.298 3 4 0 -9.05527621834974 677703 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C 1 1.382 3 2 0 -12.1548546152654 677673 CC1=CC(=C(O1)CSCC2=C(OC(=C2)C(=O)O)C)C(=O)O 1 2.089 0 6 -8.82630767594019 677665 CN(C1=CC=CC=C1)C(=S)NC2=CC=CC=C2 1 4.72 2 0 -5.54017056592772 677656 COC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=N2 1 2.38 2 2 -10.2346467443639 677630 C1CN\2CCC1C(=O)/C2=C/C3=CC=CC=C3Cl 1 2.769 1 1 2.6657271028252 677616 COC1=CC=C(C=C1)C(=O)NN=CC2=CN=CC=C2 1 1.516 3 2 0 -5.11805794701763 677614 C1=CC=C(C=C1)CC(=O)NN=CC2=CN=CC=C2 1 1.567 3 1 0 -5.51321035770245 677613 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC=CS2 1 2.772 1 3 -12.2425386590622 677607 CC1=CC=C(C=C1)S(=O)(=O)NC(=S)C2=CC=CC=C2 1 3.574 1 2 -3.54877220011653 677603 C1CC2=C(C(=NO)C1)C3=CC=CC=C3C=C2 1 3.327 1 1 0.897827691107277 677602 COC1=CC=CC(=C1O)CNC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 3.063 2 4 0.214406917720231 677576 CC(C)C1=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3 1 3.478 0 3 -3.871540449206 677574 C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=C(C=C3)N)N 1 1.005 4 1 0 -6.44585973461799 677565 CC1=CC2=NC=C(N=C2C=C1C)C3=CC=CS3 1 4.166 2 0 3.97764702652351 677564 C1COCCN1C(=O)C2=CC3=C(C(=CC=C3)[N+](=O)[O-])OC2=O 1 0.856 2 6 0 -14.036980629566 677552 C1=CC(=CN=C1)C=NNC(=O)CSC2=CC=C(C=C2)Cl 1 2.59 3 1 -3.46182163403271 677549 C1=CC=C(C(=C1)O)OCC(=O)NC2=CC=C(C=C2)Cl 1 2.872 1 3 0.143636018641536 677548 C1=CC=C(C(=C1)NC(=O)COC2=CC=CC=C2O)Cl 1 2.872 1 3 -1.84611139753154 677530 C1=CC=C(C=C1)OCN2C3=CC=CC=C3SC2=O 1 3.718 1 2 0.578137580553225 677495 C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)O 1 2.729 0 3 3.92769268060065 677494 CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CO3 1 3.017 0 3 3.07309817863353 677493 C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.791 4 3 0 -10.0258177506299 677491 C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.572 4 2 -5.55222449061271 677488 C1=CC=C2C=C(C=CC2=C1)/C=C/3\C(=O)NC(=S)N3 1 2.738 2 1 -5.7345920219713 677487 C1CN2C=NC3=CC=CC4=C3C2=C(C1=O)C=C4 1 1.667 2 1 0 -0.55176122624373 677486 C1=CC=C(C=C1)C(=NC#N)C2=CC=CC=C2 1 3.427 2 0 -3.53403923696837 677475 C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC=C(C=C3)Cl 1 3.561 3 1 -6.10942127268583 677464 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2Cl 1 4.114 2 0 5.38228701060835 677447 CCOC(=O)CSC1=NN=C(S1)NC(=O)CN2CCCCC2 1 1.486 4 3 0 -22.1608973704382 677414 CC1=C(SC2=NC=NC(=C12)N3CCCCC3)C 1 3.362 3 0 -1.05480678966944 677408 CC(C)SCC(=O)NC1=CC=C(C=C1)C(=O)C 1 1.897 1 2 0 -9.98367370665848 677402 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C 1 1.452 4 2 0 -19.2019450408372 677363 C1=CC=C2C(=C1)N(C(=S)N2CCC(=O)O)CCC(=O)O 1 2.703 2 4 -7.85974140636842 677347 CN1C2=C(C(=O)NC1=O)NC(=N2)NC3=CC=C(C=C3)OC 1 0.926 5 3 0 -3.46739545242714 677345 CN1C2=C(C(=O)NC1=O)N(C(=N2)N)CC3=CC=CC=C3 1 1.072 5 2 0 -5.46747163905992 677343 CC1=CC=C(C=C1)NC2=NC3=C(N2)C(=O)NC(=O)N3C 1 1.429 5 2 0 -3.054429243283 677339 COC1=CC=CC=C1NC(=O)NC2=CC=NC=C2 1 1.355 3 2 0 -7.25222720592973 677304 C1=CC(=CC(=C1)Cl)C(=O)NN=CC2=CN=CC=C2 1 2.197 3 1 -2.32957252025361 677301 C1=CC(=CN=C1)C=NNC(=O)C2=C(C=CC(=C2)Br)O 1 2.039 3 2 2.11253877006796 677265 CN(C1=NC(=NC(=N1)N2CCCC2)N3CCCC3)N 1 0.359 7 0 0 0.10735150627383 677217 CN1CCN(CC1)CC2=CC=C(S2)Br 1 2.168 2 0 6.23181210837242 677173 CCCC1=NN=C(S1)NC(=S)NC2=CC=CC=C2 1 3.752 4 0 -10.8597538329557 677170 CC1=CC(=NC(=N1)SCC(=O)NC2=NOC(=C2)C)C 1 1.454 4 2 0 -20.7033291095093 677167 CN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)N 1 1.853 4 0 0 1.03904958836223 677140 CCOC1=NC(=NC(=C1)C2=CC=CC=C2)N 1 2.644 3 1 0.425231783593528 677126 CN1C=C(C(=N1)C(=O)NCC2=CC=CC=C2)[N+](=O)[O-] 1 1.594 4 3 0 -10.6094861229391 677080 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CN=CC=C2 1 1.266 4 3 0 -5.37544147783526 677064 C1=CC=C(C(=C1)CSC2=CC=CC=N2)[N+](=O)[O-] 1 3.238 2 2 -8.37939554137474 677063 C1=CC=NC(=C1)SCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.238 2 2 -6.47880007376522 677052 C1=CC(=CC=C1NC(=O)NC2=CC=NC=C2)Cl 1 2.036 3 1 -0.8981177251314 677049 C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=NC=CS3 1 2.63 3 1 -10.3869852402128 677046 C1=CC=C(C(=C1)C(=O)NC2=CN=CC=C2)F 1 1.669 2 1 0 -6.17662315007599 677037 C1=CC=C2C(=C1)C(=O)C(=CO2)/C=C/C(=O)O 1 1.445 0 4 0 0.575941217556867 676970 CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)N)C)C 1 1.105 3 3 0 -17.1705588582232 676962 CCSC1=CC=C(C=C1)C(=O)NCC(=O)O 1 1.41 1 3 0 -10.9193622694165 676892 CC1=C(C=CO1)C(=O)NN=CC2=CC=CS2 1 1.886 2 2 0 -4.95771567928554 676895 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=CO2 1 1.4 2 5 0 -11.1807630579716 676906 C1=CC=C(C=C1)CNC2=CC(=NC(=N2)N)F 1 2.343 4 0 -2.15020977888782 676927 CC1=CC(=NN1C2=CC=CC=C2[N+](=O)[O-])C 1 2.379 3 2 -6.65024807054913 676913 CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C 1 1.835 3 1 0 -11.3708618018142 676911 CC1=CC(=NC(=N1)N)OC2=CC=CC=C2 1 2.207 3 1 9.76602190270949e-002 676910 COC1=NC(=NC(=C1)C2=CC=CC=C2)N 1 2.295 3 1 -1.26264022682559 676907 CC1=CC(=S)NC2=C1C=CC(=C2)OC 1 3.054 1 1 -1.28960166266936 676866 C1=CC(=CN=C1)C=NNC(=O)C2=CC=CS2 1 1.486 3 1 0 -5.46367930027114 676855 CSC1=CC(=C(C=C1)Cl)C(=O)NC2=NC=CS2 1 2.818 2 1 -2.95804343303136 676850 COC1=CC(=NC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O 1 1.952 2 5 0 -4.00204971957264 676843 C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)OC(F)(F)F 1 3.313 1 4 -1.47308286961367 676828 C1=CC(=NC=C1Br)NC(=O)C2=NC=CN=C2C(=O)O 1 0.937 4 3 0 -10.7032818948037 676812 CC1=C(SC(=N1)NC(=O)C)C(C)(C)C 1 1.921 2 1 0 -4.15107342197742 676799 CC1(CC(=NCC(=O)O)CC(=O)C1)C 1 0.513 1 3 0 -7.41483608156354 676798 C1CCCN(CC1)C2=CC(=NC(=N2)N)F 1 2.487 4 0 -1.78617425391553 676772 CC(=NNC(=S)SC)C1=CC=CC=C1 1 3.223 2 0 -4.32708011372815 676760 C1=CC=C(C=C1)CCC2=NN=C(S2)N 1 1.973 3 0 0 -2.10692167446138 676755 CCOC1=CC=C(C=C1)C2=NC(=S)NN2 1 2.228 3 1 -2.05776635964106 676738 CCOC(=O)CN1C2=C(N=C1Br)N(C(=O)NC2=O)C 1 0.735 4 4 0 -11.9520172273923 676728 CN1C=NN=C1SCC2=CC=CC=C2[N+](=O)[O-] 1 1.961 4 2 0 -16.7952952687743 676722 CC1=CSC(=N1)NC2=CC=CC=C2 1 2.022 2 0 3.04616258239695 676715 CC(=O)NC1=C(C2=C(S1)CCC2)C#N 1 1.542 2 1 0 -16.8432009638255 676678 CC1=NC2=CC3=C(C=C2N1)NC(=N3)C(F)(F)F 1 2.47 4 0 -1.30212799395134 676674 C1=CC(=CC=C1[N+](=O)[O-])OC2=CC(=NC(=N2)N)Cl 1 2.693 4 3 0 -2.08337101621916 676642 CC1=C(C(=NN1C(=O)C)C)NC(=O)C 1 -0.188 3 2 0 -5.97743177847708 676629 C1=CC=C(C(=C1)O)OCC(=O)NNC(=S)N 1 0.581 3 3 0 -5.17597656690602 676605 CSC(=S)NN=CC1=CC=CC=C1 1 3.242 2 0 -1.84214765919361 676604 CC1=CC(=NC(=C1C#N)SC)C 1 2.408 2 0 -6.66711081223791 676602 CC(=O)N(C)C1=CC(=CC=C1)[N+](=O)[O-] 1 1.05 2 3 0 -5.54522148847218 676595 CC1=NON=C1NC(=O)NC2=CN=CC=C2 1 -2.e-003 5 2 0 -8.18692016615547 676589 C1=CC(=CC(=C1)Cl)C(=O)NCC(=O)N 1 0.556 2 2 0 -5.72347922191945 676585 CSC(=S)NN=CC1=CC=C(C=C1)Br 1 3.991 2 0 -1.30486489662388 676567 C1=CC(=CC=C1F)S(=O)(=O)NC2=NC=CS2 1 1.52 2 2 0 -4.37042216878214 676566 C1=CC(=C(C=C1Cl)Cl)CC2=NN=C(S2)N 1 2.846 3 0 0.977307015145055 676555 CC1=C(C=C(C=C1Br)C2=NN=CO2)Br 1 3.112 2 1 0.679825273798757 676527 CSC(=S)NCC1=CN=CC=C1 1 2.101 2 0 -5.09465226132561 676515 CNC(=O)NC1=CC=CC=C1F 1 1.151 2 1 0 -6.28570921414579 676499 C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(O2)N 1 0.818 4 3 0 -0.377809718725744 676486 CC(C)(C)C1=NNC(=S)N(C1=O)N 1 1.162 4 1 0 -8.57772248870926 676467 C1=CC(=CN=C1)CNC(=S)NN 1 0.321 4 0 0 -7.72954532851687 676462 CCC1=C(N=C(N=C1Cl)N)C 1 1.924 3 0 0 -1.84588917129782 676436 CCN1C=C(N=C1C)[N+](=O)[O-] 1 0.966 3 2 0 -3.83280871971316 676369 C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)OC4=CC(=C(C=C4)C#N)C#N 1 4.559 4 1 6.36525033496501 676365 COC1=C(C=CC(=C1)N)NC(=O)C2=CC=CS2 1 1.805 2 2 0 -7.83426415341367 676338 C1=CC=C(C=C1)CNC(=S)NC2=CC=CC3=CC=CC=C32 1 5.004 2 0 -7.86311725804149 676336 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4 1 4.28 2 1 -4.14365432032147 676301 C1=CC=C2C(=C1)C=CC3=C2C(=O)C=C(O3)C4=CC=C(C=C4)O 1 3.802 0 3 6.57387731262407 676300 C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C4=CC=C(C=C4)O 1 3.802 0 3 6.69870655264334 676291 C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C4=CC(=C(C=C4)O)O 1 3.56 0 4 10.405197310441 676286 C1=CC(=CC(=C1)Br)C2=NC(=S)NN2 1 2.644 3 0 0.341431886498968 676284 CCN1C(=NNC1=S)C2=CC(=CC=C2)Br 1 3.199 3 0 -1.02545274910921 676282 CC1=CC=CC=C1CSCC(=O)NCC2=CC=CO2 1 2.689 1 2 -16.746749149764 676277 CC(=O)N1C2(CCCC2)OC(=N1)C3=CC(=CC=C3)Br 1 2.922 2 2 -6.68389005666181 676270 COC1=CC=CC(=C1)C=NNC(=O)CCC2=CC=CC=C2 1 3.157 2 2 -8.46927711581193 676266 C1=CSC(=C1)C(=O)NC2=CC=NC=C2 1 1.417 2 1 0 -5.08987936109446 676255 CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 2.201 4 1 0.689806443304432 676234 CCN1C(=NNC1=S)C2=CC=C(C=C2)F 1 2.656 3 0 -1.81208201505255 676222 C1COCCN1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 2.25 2 2 -3.24228700807721 676219 CC1=CC(=NO1)NC(=O)CSC2=CC=C(C=C2)Cl 1 2.811 2 2 -12.0703455183155 676204 CN1C(=NNC1=S)C2=CC=CC=C2Br 1 2.85 3 0 -3.16144556162598 676190 C1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=C(C=C3)Cl)/S2 1 3.99 2 1 -3.43884670357945 676176 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=CC=C2 1 2.864 2 1 -2.06324938244361 676152 COC1=C(C=C(C=C1)[C@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O 1 2.357 0 6 4.12453184974711 676147 CC1=NOC(=C1C(=O)NC2=CC(=C(C=C2)F)Cl)N 1 1.599 3 2 0 -4.80294102542561 676139 CN(C)C1=NC(=NC(=N1)N)CN2C=CN=C2 1 -0.652 7 0 0 -1.43692923779304 676138 C1CC1C(=O)NC2=CC3=NSN=C3C=C2 1 1.836 3 1 0 -0.144547878632357 676133 CC1=CC(=NC2=C1C(=C(S2)C(=O)O)N3C=CC=C3)C 1 3.306 2 2 -5.52393117286129 676108 C1=CC(=CC=C1C2=NN=C(O2)C3=C(C=C(C=C3)Cl)Cl)F 1 4.588 2 1 7.52177616160803 676107 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(O3)Br 1 3.017 2 2 2.0347574874025 676085 C1=CC=C(C(=C1)/C=C/C(=O)NC2=CN=CC=C2)Cl 1 2.596 2 1 -2.59474686326513 676076 COC1=C(C=C(C=C1)C(=O)NCCN2CCOCC2)[N+](=O)[O-] 1 0.742 3 5 0 -14.4491631164604 676074 C1=COC(=C1)CNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 2.362 2 4 -8.6463158497963 676069 C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.365 3 3 0 -11.5475846233964 676067 C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 4.135 1 2 -5.60715101046977 676065 CC1=C(C=CC=C1Cl)NC(=O)C2=CN=CC=C2 1 2.614 2 1 -4.77894561721786 676062 C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2C(F)(F)F)Br 1 4.305 1 1 -4.31101653901463 676059 CC1CCN(CC1)C(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.827 2 4 0 -7.86342678216716 676052 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2=CN=CC=C2)C 1 2.632 2 2 -2.92214089972559 676049 C1=CC(=CN=C1)NS(=O)(=O)C2=CC=C(C=C2)F 1 1.372 2 2 0 -2.23479652803657 676048 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC 1 0.887 2 3 0 -12.8621272331312 676047 CCOC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2 1 1.506 2 3 0 -3.47108232140037 676046 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2 1 1.438 2 3 0 -6.53528335779835 676042 COC1=CC=CC=C1C(=O)NC2=CN=CC=C2 1 1.447 2 2 0 -6.50508411462343 676035 COC1=C(C=CC(=C1)C2=CC(=O)C3=CC=CC=C3O2)O 1 2.878 0 4 4.62319653831227 676032 C1=CC=C2C(=C1)C=CC3=C2C(=O)C=C(O3)C4=CC(=C(C=C4)O)O 1 3.56 0 4 10.2803680704217 676029 CCN(CC)C1=CC=C(C=C1)C=NN2C(=CC(=CC2=O)C)C 1 3.347 3 1 -7.89203826239442 675986 COC1=C(C=C(C=C1)C(=O)N2CCCC3=CC=CC=C32)Br 1 4.083 1 2 -8.59478307366383 675984 C1CCN(CC1)C(=O)COC2=C(C3=CC=CC=C3C=C2)Br 1 3.653 1 2 -2.83459504847742 675962 CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C#N 1 2.979 2 1 -8.67749432902728 675954 C1CCC(=CC1)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.259 2 3 -11.7872299665163 675925 CC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3[N+](=O)[O-] 1 1.884 5 3 0 -9.21016136126715 675912 COC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2 1 3.223 2 2 -2.22155429292276 675902 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCC2=CC=CC=C2 1 3.486 2 3 -9.33631884659708 675893 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=CC=CC=C2 1 3.486 2 3 -10.9707223377443 675873 CCC(=O)NC1=C(C(=C(S1)CC2=CC=CC=C2)C)C(=O)N 1 2.736 2 2 -5.65140356319358 675868 CC1=CC(=NN1C(=O)C2=CC=C(C=C2)NC(=O)C)C 1 1.476 3 2 0 -10.2523829134108 675847 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)/C=C/C(=O)O 1 1.071 2 6 0 -8.13823840769814 675845 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)/C=C/C(=O)O 1 1.574 2 5 0 -5.6005490992004 675843 C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)N 1 2.084 2 2 -6.79212773183432 675823 C=CCC(CC=C)(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O 1 4.012 1 3 -12.5580570720549 675812 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CC=C2 1 2.995 2 3 -6.83571687902221 675803 C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C#N)C(=O)O 1 2.123 2 3 -7.90886516871822 675801 CC1=C(C=C(C=C1)NC(=O)CCC(=O)O)F 1 1.487 1 3 0 -7.58037150090407 675800 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)/C=C/C(=O)O 1 1.978 2 4 0 -9.00141955340759 675786 C1=CC2=C(C=CC(=C2N=C1)O)CO 1 1.169 1 2 0 5.14478576268772 675782 CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)C 1 4.371 2 2 -5.42968960954251 675781 CC1=CC=CC=C1C(=O)NC2=CC=CC=C2NC(=O)C3=CC=CC=C3C 1 4.371 2 2 -8.31355673592526 675749 CC1=C(C=C(C=C1)C(=O)N2C(=CC(=N2)C)C)Br 1 3.591 2 1 -4.59544863464308 675735 CC1=CC(=NN1C(=O)C2=CC=C(C=C2)NC(=O)C3CC3)C 1 2.234 3 2 -9.3381385620838 675719 C1CCC(=CC1)CCNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 3.095 2 4 -13.3002976121147 675695 CC(=O)OC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.157 1 5 -10.7728206745512 675677 CC1=CC(=NC(=N1)SCCS(=O)(=O)CC2=CC=CC=C2)C 1 2.86 2 2 -10.9591664601757 675675 C1CC1C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F 1 1.808 2 3 0 -3.96979171558104 675672 COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC3 1 2.733 1 3 -15.1544063092033 675662 C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.837 2 3 -10.5478541831643 675652 CC(C)CC(=NO)C1=CN(C2=CC=CC=C21)C 1 3.511 2 1 0.451788313526288 675623 CN1C=C(C2=CC=CC=C21)C(=NO)CC3=CC=CC=C3 1 3.835 2 1 1.40952102341967 675620 CC1=C(C2=CC=CC=C2N1C)C(=NO)CC3=CC=CC=C3 1 3.981 2 1 1.45598200777352 675601 CC1=CC(=NN1C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C 1 2.086 3 4 0 -10.0504444448544 675560 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CS2 1 2.948 2 3 -6.66801893585795 675538 COC1=C(C=C(C=C1)CCNC(=O)C2=NC3=CC=CC=C3C=C2)OC 1 3.524 2 3 -13.019793163213 675533 CC1=CC(=C(C=C1)OCC(=O)O)N2N=C3C=CC=CC3=N2 1 3.123 3 3 -7.2827243695338 675529 C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3=CC=C(C=C3)Cl 1 2.962 2 3 -4.36630266727535 675526 C1CCCN(CC1)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.854 2 1 -3.78249527339912 675505 CC1=NC2=C(C=CC=C2OC3=C4C(=C(SC4=NC=N3)C)C)C=C1 1 4.312 3 1 -0.253846481223591 675504 CN1CCCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F 1 3.557 4 0 5.93116880515586 675503 CC1=C(C(=NO1)C)COC2=CC3=C(C=C2)C=CC(=O)O3 1 2.349 1 4 -11.3010081233673 675494 C1COC2=C(O1)C=CC(=C2)C3=CSC(=N3)C4=CN=CC=C4 1 2.792 2 2 3.06075950883836 675492 CC1=CC=C(C=C1)C2=CC3=C(N2C4=CC=C(C=C4)C(=O)O)CCCC3=O 1 5.023 1 3 -1.31854521275279 675464 CCOC(=O)N1CCN(CC1)CC2=C(C(=O)C=C(O2)CO)O 1 -0.598 2 6 0 -2.79490175874833 675463 CCOC(=O)C1CCN(CC1)CC2=C(C(=O)C=C(O2)CO)O 1 -0.131 1 6 0 -3.849976410115 675453 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4C5=CC=CC=C5N=N4 1 5.043 5 0 -1.01500060681242 675436 C1=CC=C2C(=C1)C(=NN=C2N3C4=CC=CC=C4N=N3)C5=CC=C(C=C5)F 1 5.199 5 0 -0.523839371704178 675434 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CN3CCCC3 1 3.409 2 1 -3.26028999730749 675433 CC1CCN(CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C 1 4.117 2 1 -6.22234777526939 675432 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CN3CCCCC3 1 3.865 2 1 -3.61475851147557 675431 C1COCCN1CC(=O)NC2=CC=CC=C2F 1 0.849 2 2 0 -8.24928600823478 675426 C1CC1NC(=O)CNC(=O)C2=CC=CC=C2F 1 0.793 2 2 0 -14.9645997184705 675424 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2CC2 1 1.391 1 3 0 -11.596273923163 675416 CC1=NC2=C(C=NN2C(=C1)N)C3=CC(=CC=C3)Br 1 2.445 4 0 -0.215770928809386 675402 CC1=CC(=NC2=C(C=NN12)C3=CC(=CC=C3)Br)C 1 2.935 3 0 -2.45037079714849 675398 C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)N 1 1.821 2 1 0 -3.96351416531223 675397 COC1=C(C=CC(=C1)N)NC(=O)C2=CC3=CC=CC=C3O2 1 2.446 2 3 -2.12384839955382 675395 CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)N)C 1 3.244 4 1 0.596903429539184 675394 C1=CC2=C(N=C1)N=C(O2)C3=CC(=C(C=C3)Cl)N 1 2.243 3 1 8.7484110521511 675362 CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CN3CCOCC3)C)C 1 3.403 2 2 -6.16169521978453 675361 COC1=CC=C(C=C1)NC(=O)C2=C(N=C(S2)N)C3=CC=CC=C3 1 3.087 3 2 2.46693894108088 675359 C1CC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=CO3 1 2.353 1 4 -9.82246994730582 675358 CC1=CC=C(O1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)O 1 3.411 1 4 -9.29285334201828 675357 CC1=CC=C(O1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O 1 2.954 1 4 -8.93838482785021 675353 CC1=C(SC2=NC=NC(=C12)OC3=CC=CC4=C3N=CC=C4)C 1 4.029 3 1 -1.88577192271882 675349 CC1=NN(C(=C1)N)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 2.283 6 0 0.908444599408488 675346 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4C(=CC(=N4)C)N 1 3.542 5 0 -1.96231658736293 675343 CC1=CC(=NC2=CC=CC=C12)SCC3=C(ON=C3C)C 1 4.049 2 1 -5.34536359186334 675342 C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3CCOCC3 1 0.359 3 3 0 -14.3145969630812 675331 CC1(CC(=CC(=O)C1)NC2=CC(=C(C=C2)Cl)Br)C 1 4.116 1 1 -10.915495891084 675326 C1CCC2=C(C1)C(=O)N3C(=N2)C(=CN3)C4=CC(=CC=C4)Br 1 2.596 3 1 -2.63823804264603 675325 CC1=C(C(=CC=C1)NC(=O)C2=CC3=NSN=C3C=C2)C 1 3.715 3 1 -0.174417107259789 675323 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=C(C=C3Cl)F)F 1 3.475 1 3 -6.5481570732397 675318 CC1=CC(=NC2=NN=C(N12)SCC3=CC=C(C=C3)Br)C 1 4.2 4 0 -10.9396568215325 675294 C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)Cl 1 3.091 4 0 -3.30450278744209 675270 CC1=C(N2C=CC=CC2=N1)C(=O)NCCC3=CC=C(C=C3)OC 1 2.377 3 2 -6.74453129195925 675265 C1C(CS1)OC(=O)C2=CC=CC=C2N 1 1.399 1 2 0 -5.69969263266035 675235 CC1=CC=C(C=C1)CN2C(=NC=N2)SCC3=CC=C(C=C3)C 1 5.018 3 0 -9.43644228057148 675230 C1=CC=C(C=C1)CN2C(=NC=N2)SCC3=CC=CC=C3 1 4.046 3 0 -10.2512571853511 675228 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=NN=C(S3)C 1 1.7 3 4 0 -16.3499108321495 675226 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCC4=CN=CC=C4 1 3.316 4 0 4.96227788541507 675220 C1=CC=C(C(=C1)OCC(=O)NCC2=CC=CO2)Br 1 2.387 1 3 -10.3853756849867 675202 C1=CC(=CC=C1CN2C(=O)C(=C(C=N2)Cl)Cl)F 1 2.427 2 1 7.70642520641131 675185 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 2.949 1 3 -2.53701788746939 675184 C1=CC=C2C(=C1)C=C(O2)C(=O)NCC3=CC=CO3 1 2.398 1 3 -4.6814891262182 675183 COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3O2 1 3.193 1 3 -2.43215330646296 675181 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=CC=CC=C3O2 1 3.176 1 4 -1.53317389163103 675180 C1=CC=C(C=C1)OCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.592 2 4 -8.25510119036691 675179 CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3 1 2.869 1 3 -7.001208955671 675178 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CN=CC=C3 1 1.249 2 3 0 -10.4296709194344 675164 C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)F 1 2.535 2 2 -10.2303597198776 675085 CC1=C(CC(=O)N1C2=CC(=CC=C2)Cl)C(=O)OC 1 2.019 1 3 -4.44164841700671 675083 C1=CC=C2C(=C1)N=C(N2CC(=O)O)C(F)(F)F 1 2.381 2 2 -4.21379500171852 675082 C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)O 1 1.281 4 2 0 -20.3989994444268 675077 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=NC=C(C=C3)Cl 1 3.576 2 1 1.47619040780647e-002 675069 C1=CC=C2C(=C1)C(=CN2CCOC3=CC=CC=C3F)C=O 1 3.926 1 2 -1.70113265989748 675068 COC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C=O 1 3.704 1 3 -5.33015800437722 675065 CC1=C(C(C(=C(N1)C)C(=O)N)C2=CC=CO2)C(=O)N 1 -0.65 3 3 0 -15.648344395241 675062 CCN1C(=NNC1=S)CCC2=CC=CC=C2 1 2.941 3 0 -5.42755112432744 675061 CN1C(=NNC1=S)CCC2=CC=CC=C2 1 2.593 3 0 -5.21864982535043 675060 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl 1 4.358 2 1 -3.07796050056619 675058 C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 3.832 2 2 2.03284212889311 675057 CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 2.869 2 2 -8.09345923209357 675056 C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)F 1 3.12 3 2 5.73765824857716 675055 C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3F 1 4.387 1 2 -6.21476150884853 675053 CC(C)SC1=NC2=CC=CC=C2N1CC(=O)O 1 2.842 2 2 -6.24197682986748 675052 CCSC1=NC2=CC=CC=C2N1CC(=O)O 1 2.465 2 2 -8.71805680320268 675042 C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N)N 1 2.282 4 0 -6.25657052060724 675036 CC(C)CSC1=NC2=CC=CC=C2N1CC(=O)O 1 3.308 2 2 -10.0238387685454 675027 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4 1 2.461 3 3 -2.73183274613576 675022 CCOC(=O)N1CCN(CC1)C(=O)CSC2=CC=CC=C2 1 1.846 2 3 0 -7.2534483862385 675010 COC1=CC=CC(=C1)NC(=O)CCC2=CC=CC=C2 1 3.089 1 2 -7.40423417169715 675000 CC1=C(C=C(C=C1)N(CC(=O)OC)S(=O)(=O)C)Cl 1 1.804 1 4 0 -12.3771306229485 674996 C1=CC=NC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)F 1 1.594 2 2 0 -3.9802184916261 674994 C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 3.39 1 2 -7.54138827421443 674991 CN1CCN(CC1)C(=O)CSC2=CC=C(C=C2)Cl 1 2.259 2 1 -1.47031866681824 674974 CC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C=NN=C3)Br 1 3.484 4 1 3.08454153894357 674966 C1CN(CC2=CC=CC=C21)C(=O)CNS(=O)(=O)C3=CC=CC=C3 1 1.664 2 3 0 -14.5322431151938 674958 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=CC=CC=C2 1 2.983 2 4 -11.77661392857 674951 C1CCCC(CC1)NC(=O)C2=CC=CO2 1 2.747 1 2 -6.08848165370555 674949 C[C@H](C1=CC=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.586 2 4 0 -8.85679081155319 674942 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3 1 2.81 2 2 -6.3322291680843 674935 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CC3=CC=CS3 1 3.067 2 1 -5.14047622202715 674932 C1=CC(=CC=C1S(=O)(=O)NC2=CC=NC=C2)Cl 1 1.831 2 2 0 0.341031554639678 674929 CC1=C(C(=CC=C1)OCC(=O)NC2=NC=NN2)C 1 1.724 4 2 0 -5.68286236883631 674928 CC1=C(C(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3)C 1 3.19 1 4 -5.53221816273447 674925 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC=CO3 1 2.474 2 2 -2.74986563545791e-002 674924 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC=CO2 1 1.674 2 4 0 -9.76682279328417 674921 C1COCCN1C(=O)COC2=CC=C(C=C2)Br 1 1.515 1 3 0 -7.46723593276707 674915 CC1=CC=C(C=C1)OCC(=O)N2CCC3=CC=CC=C32 1 3.216 1 2 -9.36602467979078 674895 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=C2Cl)OC 1 3.574 1 3 -11.3857329525438 674889 C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC=CC=C3F 1 3.728 1 1 -3.57995407143743 674888 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CC=CO2 1 3.203 1 2 -6.50564996106112 674887 CC1=CC=C(C=C1)C(=O)NCC2=CC=CO2 1 2.289 1 2 -9.08378411017242 674884 CC(=O)NC1=CC=CC=C1NC(=O)C2=CC=CC=C2 1 1.735 2 2 0 -9.43727651719303 674881 C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=CC(=C(C=C4)O)[N+](=O)[O-])S3 1 3.654 3 4 0 -4.72999537782763 674860 CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C/3\C(=O)NC(=O)N3)[N+](=O)[O-] 1 2.322 3 5 0 -7.50065384697111 674839 CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C=NO 1 3.488 2 1 7.10648066837096 674827 COC(=O)C1=CC=CC=C1NC(=O)CN2C=CN=C2 1 0.414 3 3 0 -10.2127650918365 674819 C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)/C=C/[N+](=O)[O-] 1 3.892 2 2 2.27960918821796 674806 C1NC(=S)NCN1CC2=CC=CC=C2 1 2.163 3 0 -2.96720028629665 674802 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)OC)C)Cl 1 2.484 2 3 -5.18792671838037 674790 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CO3 1 2.953 2 2 0.609772952647678 674786 C1OC2=C(O1)C=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3 1 1.878 2 4 0 -15.3187726152866 674781 CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC 1 2.989 3 1 -8.27566640921229 674780 CCOC(=O)C1=C(C(=C(S1)N)C(=O)OC)C 1 1.707 1 4 0 -5.76680933510939 674776 CC1=CC(=NN1CC(=O)N2CCOCC2)[N+](=O)[O-] 1 1.2e-002 4 4 0 -15.7406392540199 674772 CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)CN3C(=O)CCC3=O)(C)C 1 1.489 2 4 0 -12.4105019393812 674768 CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)N 1 3.37 1 2 1.47064473914726 674767 CCOC(=O)CC1=C(C2=C(N(N=C2C)C3=CC=CC=C3)OC1=O)C 1 3.179 2 4 -7.88889611121791 674752 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 3.382 2 3 -9.64409231936736 674720 C1CCC(CC1)NC(=S)NN2CCOCC2 1 1.846 3 1 0 -9.39104157692881 674662 CN1C=C(C(=N1)C(=O)N2C=CC=N2)[N+](=O)[O-] 1 0.901 5 3 0 -2.78048979730045 674621 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NN=CC2=CC=C(C=C2)F 1 1.724 5 3 0 -6.79616843250279 674618 C1=CC=C(C=C1)C2=NN(C=C2C=O)CC3=C(C=CC=C3Cl)F 1 4.639 2 1 -1.74026067315868 674577 COC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.857 1 4 -9.80530000034231 674575 COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(F)(F)F 1 4.031 1 2 -7.71021610164516 674573 COC1=CC=CC=C1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N 1 2.804 2 3 -14.8632780506129 674556 C1=CC(=C(C(=C1)Cl)CN2C=NC(=N2)[N+](=O)[O-])Cl 1 3.123 4 2 -7.03021330935523 674546 COC1=CC=CC=C1OCC(=O)N2CCNC2=O 1 0.661 2 4 0 -15.6789378886924 674526 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3NC2=S 1 3.725 2 1 -3.59972811762763 674516 C1COCCN1C2=NSN=C2OC(=O)C3=CC=CC=C3 1 1.932 3 3 0 -5.92465042564819 674491 CS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 -0.455 2 5 0 -17.6075765871257 674479 C1CCC(C1)NC2=NC(=O)N(C=C2)CC3=CC(=CC=C3)Br 1 3.188 3 1 -3.28978382334608 674471 COC1=CC=C(C=C1)/C=C/C(=O)NCCC2=NC3=CC=CC=C3N2 1 3.03 3 2 -6.93653697109337 674453 CN(C)C1=NC(=C(C(=C1F)S(=O)(=O)C2=CC=CC=C2)F)F 1 2.861 2 2 -7.06715899217496 674439 C1CC1(C2=CC=CC=C2)NC(=O)NCC3=CN=CC=C3 1 1.731 3 1 0 -7.40938811697086 674421 COC(=O)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)OC1=O 1 0.778 2 7 0 -13.3742640129685 674413 CC(C)(C)NC(=O)CN1C2=CC=CC=C2N=C1C3=NON=C3N 1 1.492 6 2 0 -13.493955725845 674392 COC1=CC=CC(=C1)C(=O)NNC(=S)NC2CCCCC2 1 3.261 3 2 -10.0816243479007 674366 CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC=CS3 1 1.575 3 3 0 -13.1590203271073 674336 CC1=C(N=C2C3=C(C=CC2=C1C)C(=CC=C3)[N+](=O)[O-])C 1 4.074 2 2 0.577681559005287 674306 CC1=CC=C(C=C1)S(=O)(=O)CCN2CCN(CC2)C3=CC=CC=C3 1 3.61 2 2 -2.81255465793361 674305 COC1=CC(=C(C=C1)O)C2=C(NN=C2)C3=CC=CS3 1 3.297 2 2 1.73590172295596 674281 C1=CC=C2C(=C1)C(=C(N2)C3=CC=CS3)SCC(=O)O 1 3.909 1 2 -6.48859077644081 674277 CCOC(=O)CSC1=C(NC2=CC=CC=C21)C3=CC=CS3 1 4.484 1 2 -8.27722529256286 674272 C1=CSC(=C1)C(=O)C2=COC3=C2C=C(C=C3)O 1 3.249 0 3 2.82116893987103 674268 COC(=O)C1=C(C2=CC=CC=C2O1)N 1 1.533 1 3 0 2.02693135252256 674266 CC(=O)OC1=CC2=C(C=C1)OC=C2C(=O)C3=CC=CS3 1 3.258 0 4 -1.53800280998052 674264 C1=CC(=CC(=C1)Br)C(=O)C2=COC3=C2C=C(C=C3)O 1 4.044 0 3 5.78472869684856 674263 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CCNC(=O)C)C 1 1.629 2 4 0 -6.33590037073258 674259 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)CCNC(=O)C)C 1 1.855 2 4 0 -8.38094435306122 674245 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=NN3C=NN=C3 1 1.842 5 2 0 -2.16010598684271 674235 C1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 3.305 2 3 -8.7166305810891 674232 COC1=C(C=C(C=C1)/C=C/C(=O)NCC2=CC=CC=N2)OC 1 2.121 2 3 -11.8247568704427 674227 C1CCC(CC1)NC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 2.657 2 2 -6.94936697568205 674186 CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=N2)C(=O)OCC)C)C)C 1 2.172 2 4 -10.885961909666 674174 COC1=CC=CC(=C1)C2C(=CNC=C2C(=O)OC)C(=O)OC 1 0.828 1 5 0 -8.93597914351424 674163 C1=CC(=CC=C1OCCN2C=C(C(=O)NC2=O)Br)Cl 1 1.943 2 3 0 -1.44922540849077 674162 CC1=CC=C(C=C1)OCCN2C=C(C(=O)NC2=O)Br 1 1.765 2 3 0 -3.27122409907759 674159 C1=CC(=C(C=C1C(=O)CN2C=NC(=N2)[N+](=O)[O-])O)O 1 0.983 4 5 0 -1.26751850457623 674097 CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)N3CCOCC3)C 1 1.402 3 3 0 -19.5741623676209 674073 CCC1=C(C2=C(C(=CC=C2)OC)N=C1C)SCCC(=O)O 1 3.496 1 3 -9.46283844742219 674055 COC1=CC=CC(=C1)C(=O)NCC2(CCCC2)C3=CC=CC=C3 1 4.06 1 2 -16.7262902887262 674054 CC1=C(C2=C(O1)CCCC2)C(=O)NCC3=CC(=CO3)C(=O)O 1 2.065 1 5 -13.1079249802985 674051 CC1=CC=C(C=C1)N2C3=C(C=C(S3)C(=O)O)C(=N2)C 1 3.486 2 2 -4.77523130765263 674000 CC1=C(C=C(O1)CC(C)C)C(=O)N 1 1.601 1 2 0 0.628460924487497 673991 CC1=CC2=C(C=C1C)N(C=N2)S(=O)(=O)C3=CC(=C(C=C3)OC)C 1 4.145 2 3 -4.25868718609522 673954 C1=CC2=C(C(=C1)SC3=C(C=CC(=C3)Cl)[N+](=O)[O-])N=CC=C2 1 4.693 2 2 0.458450371818675 673952 CN1CCN(CC1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.508 3 2 3.70741046181306 673949 C1CCN(C1)C(=O)C2=NON=C2N 1 -0.27 4 2 0 -10.969540146119 673933 C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)N 1 1.896 3 1 0 -8.4276366837177 673926 C1=CC=C(C(=C1)CSC2=NN=C(S2)N)Cl 1 2.888 3 0 -8.33209764950257 673922 CN1C2=CC=CC=C2N=C1SCC3=CC=CC=C3Cl 1 4.882 2 0 -5.31825060987999 673914 CC1=NN=C(S1)SCC(=O)N2CCOCC2 1 5.9e-002 3 2 0 -19.4959283326895 673911 C1=CC=C2C(=C1)NC(=N2)SCC(=O)NCC3=CC=CO3 1 2.254 3 2 -12.485943313984 673910 C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NCC3=CC=CO3 1 1.625 5 2 0 -26.6937792932326 673899 C1CCC(C1)NC(=O)CSC2=NN=C(S2)N 1 1.102 4 1 0 -16.1359025038457 673893 CC1=CC(=C(C=C1)C(=O)CSC2=NN=C(S2)N)C 1 2.869 3 1 -5.64464978749525 673886 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=NC=C(C=C3)Cl 1 3.262 2 2 3.03969611544564 673870 COC(=O)NC1=CC=C(C=C1)CC2=CC=NC=C2 1 2.417 2 2 -3.86971715067122 673868 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 1.41 3 3 0 -14.571081550909 673861 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4O3 1 2.984 1 4 -4.26570006659763 673803 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSCC3=CC=CC=C3 1 2.79 1 3 -15.4203973789087 673798 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=CC=CC=C3 1 2.88 1 3 -14.2635819376877 673767 COC1=CC(=C(C=C1)OC)/C=C/2\C(=O)C3=CC=CC=C3S2 1 3.661 0 3 0.221895440788529 673766 CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CO3 1 3.84 1 4 -14.9627633091777 673762 CN(C)C(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CC=C3 1 2.742 2 2 -14.532983439907 673744 C1CCC2=C(C1)C3=C(N2O)C=CC4=NON=C43 1 0.814 3 2 0 6.20805546777989 673734 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O 1 3.925 1 3 -2.82344748827296 673730 C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O 1 3.361 1 4 -2.70554187425544 673714 CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)O 1 3.691 1 2 -2.48285674537459 673710 CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O 1 4.079 1 2 3.65144526463837 673707 CCN(CC)C(=O)COC1=C(C=C(C=C1)C=O)OC 1 1.519 1 4 0 -15.7526363778034 673702 C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)N 1 2.935 2 0 11.1727768121653 673696 CC(=O)C1=CC(=CC=C1)NC(=O)C2CCCCC2 1 2.816 1 2 -2.02460896189906 673694 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=CO2)C 1 1.785 2 4 0 -10.4414527872169 673686 CN1C(=C(C=N1)Br)C(=O)O 1 1.149 2 2 0 -3.32249912628096 673682 C1=CC(=CC=C1C2=NC(=CS2)C(=O)O)Cl 1 2.933 1 2 2.46572539323553 673681 C1=CNC(=S)C(=C1)C(=O)O 1 0.359 1 2 0 -6.06882766879209 673680 CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O 1 3.778 2 2 1.95949786083527 673677 CC1=C(C(=NN1)SC2=CC=CC=N2)[N+](=O)[O-] 1 2.359 4 2 -1.94611298172237 673671 CC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)C=O)OC)[N+](=O)[O-] 1 3.52 1 5 -6.80377502982119 673663 COC1=C(C=C(C=C1)C=O)CSC2=CC=CC=N2 1 3.086 1 2 -11.0122856455586 673661 COC(=O)C1=CC=C(O1)CSC2=NC3=CC=CC=C3S2 1 3.909 1 3 -6.55506855054364 673655 COC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C3=CC=CC=C3 1 3.276 3 2 -11.3642569508856 673651 C1=CSC(=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NN 1 2.312 5 1 -11.8556229544989 673648 CCN(CC)C(=O)C1=C(C(=C(S1)N)C#N)C 1 1.638 3 1 0 -8.62607153462068 673638 CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NC=NN3)(C)C 1 2.766 4 1 -12.5036750888961 673634 CC(C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3 1 3.851 2 1 -14.2736156094781 673627 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)Cl 1 3.832 2 2 -8.67580891122954 673619 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CS3)C 1 3.799 2 1 -2.74364309524006 673618 CN1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2=O 1 1.231 2 3 0 -8.7203409246926 673609 CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 3.117 2 2 -2.18321757746798 673608 CCOC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)N 1 1.949 2 3 0 -8.86397925508004 673607 CCOC1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2 1 1.803 2 2 0 -10.6323761968913 673606 CCOC1=CC=C(C=C1)C(=O)NCC2=CC=CC=N2 1 2.018 2 2 -10.3142403899298 673585 C1CCCC(CC1)NC(=O)C2=CC=C(O2)Br 1 3.315 1 2 -7.40169163815421 673545 CCSC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.289 3 3 -16.9958214706899 673536 CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CO3 1 3.761 1 4 -16.4664000375532 673528 CC1=CC(=C(C=C1)NC(=O)C2=NC=CN=C2)Br 1 1.976 3 1 0 -8.4803765496383 673518 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.711 1 3 -3.04058328076655 673517 CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=CS2)C 1 1.988 2 2 0 -9.00270150830252 673512 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC=CC=C2 1 1.8 2 4 0 -14.4933278873655 673511 COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCO3 1 2.366 1 4 -8.76751531221473 673510 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=NC=CN=C2 1 1.684 3 1 0 -8.15879245517173 673507 C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.81 2 3 0 -12.9209751645558 673506 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2F 1 1.515 2 4 0 -12.725233539055 673503 CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)Cl 1 3.533 1 3 -6.04986009928692 673500 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)F 1 2.793 1 3 -5.6458767643177 673494 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)Cl 1 3.252 1 3 -4.58325306174533 673491 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)F 1 3.373 2 2 -9.78593057635111 673490 C1CC1C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl 1 2.998 2 1 1.32201630015075 673465 CC(C)([C@@H](COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O 1 2.002 1 6 0 -3.4981299270952 673462 CC(C)OC(=O)CSC1=NN=C(O1)C2=CC=CC=C2OC 1 2.629 2 4 -15.9857544365378 673386 CC1=NC2=C(S1)C=CC(=C2)S(=O)(=O)C(F)(F)F 1 3.836 1 2 -2.33925131219582 673385 C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC3=CN=CC=C3)Cl 1 3.288 2 1 -4.03409548362157 673384 C1=CC=C(C=C1)C(CCNC(=O)C2=CC=CS2)C3=CC=CC=C3 1 4.636 1 1 -12.9135598087531 673379 C1=COC(=C1)CNC(=O)C2=CC=C(S2)Cl 1 2.215 1 2 -4.90047196014435 673378 CC1=CC(=NN1CC(=O)N2CCOCC2)C(F)(F)F 1 0.949 3 2 0 -9.92659481422174 673377 C1CCCC(CCC1)NC(=O)C2=CC=CS2 1 3.762 1 1 -8.43667076950546 673375 C1=CSC(=C1)C2=NC3=NC=NN3C(=C2)C(F)(F)F 1 3.511 4 0 -10.1900639569907 673371 CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3 1 2.02 3 2 -10.2983337173155 673370 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.56 2 3 -14.1946066303029 673366 CCC1=CC=CC=C1NC(=O)C2=NC=CN=C2 1 1.684 3 1 0 -9.41760846213086 673359 C1=CC=C(C=C1)CCC(=O)NCC2=CN=CC=C2 1 1.962 2 1 0 -15.1886116273967 673349 C1CN(C2=CC=CC=C21)C(=O)C3=CC=CO3 1 2.29 1 2 -8.92965203182359 673348 CC1=NN(C=C1C(=O)C2=CC=CC=C2)C 1 2.166 2 1 -1.16458309574716 673346 C1CCC2=C(C1)N=C(S2)NC3=CC=C(C=C3)C(=O)O 1 2.76 2 2 -4.08097646067969 673339 CC1=CSC(=N1)NC(=O)C2=CC3=C(C=C2)OCO3 1 1.662 2 3 0 -7.70633453507654 673338 CC1=NC2=C(C=C(C=C2)OC)C(=C1)N3CCOCC3 1 2.132 2 2 3.04031012220452 673332 C1CC1C(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)C4CC4 1 3.561 2 2 -4.25171906021568 673330 C1CC1NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.345 1 1 -0.918869773853741 673235 C1=CC(=C(N=C1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O 1 2.868 2 4 -10.9000849137658 673217 C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)O 1 1.561 1 3 0 -5.89958580404814 673166 CC(C)(C)C1=CC(=O)N2C(=N1)N=C(N2)N 1 6.8e-002 5 1 0 -2.92831428370483 673156 CC1=CC(=O)N2C(=N1)N=C(N2)C3=CN=CC=C3 1 -0.325 5 1 0 -4.36275455179332 673109 CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)/C=C/C(=O)O 1 3.771 1 4 5.71836061861083 673069 CC1=C(N=C2C(=C1C)C(=NN2C3=CC=CC=C3)C)C 1 3.842 3 0 0.679340643363002 673068 C1CC2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)C4CC4)N 1 2.846 2 1 -14.2624903849472 673038 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2CCN(CC2)C 1 0.178 3 3 0 -3.51510227917791 673020 CC1=NC=C(N1CC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 2.45 3 2 -5.50338976346036 672997 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)C 1 3.423 3 2 -7.34200505107564 672975 CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)CCNC(=O)C 1 3.506 2 1 -7.55776292316603 672920 COC1=C(C=CC(=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3)O 1 1.52 1 4 0 -6.59200060487719 672916 CC(C)N1C2=CC=CC=C2N=C1C(=O)C3=CC(=C(C=C3)OC)OC 1 4.055 2 3 -7.26961004639427 672876 C1=CC=C2C=C(C=CC2=C1)COC3=CC=C(C=C3)C=O 1 4.064 0 2 -0.441661858998809 672864 C1CC1C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC=C(C=C4)Cl 1 4.371 1 3 0.197834753361391 672863 CC(C)NC1=NC(=NC(=N1)NC2CCCC2)N3CCOCC3 1 1.539 6 1 0 -8.56673036011017 672860 COC1=C(C=CC(=C1)C=O)OC(=O)N2CCOCC2 1 1.23 1 5 0 -12.2648274758001 672849 CC1=C(C(=NN1C(=O)C2=CC=CO2)C)Br 1 2.5 2 2 -2.69046603155491 672768 CC1=NC2=CC=CC=C2N=C(C1=NOCC3=CC(=CC=C3)F)C 1 3.388 3 1 1.52540047467424 672656 CC1=C(C2=C(N1CCC3=CC=C(C=C3)Cl)C=CC(=C2)O)C(=O)C 1 4.541 1 2 -0.141842672332746 672646 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC3=CC=CC=C3O2)C 1 2.985 2 4 -6.12500115166729 672640 CCOC1=CC(=CC2=C1C(=O)NC3=CC=CC=C3O2)[N+](=O)[O-] 1 2.571 2 5 0 -8.85288212986011 672621 CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3)F 1 2.772 2 2 -8.01188876444806 672604 C1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)C4=CC=CC=C4)N=N2 1 2.851 5 1 -9.51500512373786 672599 C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.075 3 4 0 -7.41594199211063 672585 CN1C=CN=C1SC2=NN=NN2C3=CC=CC=C3 1 2.011 6 0 -9.16869649276908 672584 CCNS(=O)(=O)C1=C(C(=C(C=C1)C)N2C=NN=N2)C 1 0.949 5 2 0 -16.9231714023995 672555 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)NCC3=CC=CO3 1 0.593 2 4 0 -11.0980844211224 672551 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CNC2=O)C 1 1.326 2 3 0 -5.64276485177912 672529 CC1=NN=C(S1)SCC2=C(C=CC(=C2)C(=O)C)OC 1 2.413 2 2 -16.558373415358 672520 C1=CC2=CC(=CC3=C2C(=C1)C(=O)NC3=O)Br 1 2.313 1 2 -1.05294682107969 672518 CC1=NN=C(S1)NC(=O)C2=CC=CO2 1 0.744 3 2 0 -10.2767128092936 672508 CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3F 1 4.025 2 1 -14.9271720171615 672502 CC(C)C1=NC(=S)N(N1)C2=CC=CC=C2 1 3.657 3 0 -0.845905076931396 672476 COC1=CC=C(C=C1)C(=O)CC2=CC3=C(C(=CC=C3)OC)OC2=O 1 3.266 0 5 -3.24953612650104 672470 CCOC1=C2C3=C(C4=CC=CC=C4C2=O)ON=C3C=C1 1 3.337 1 3 2.63382977775843 672465 CCOC(=O)CSC1=NC2=CC=CC=C2N1C(=O)OCC 1 3.466 2 4 -10.0762612928222 672455 CN1C=NN=C1SCC(=O)NC2=NC=C(C=C2)Cl 1 1.172 5 1 0 -16.4457128984004 672446 C1=CC=C2C(=C1)NC(=N2)SC3=CC(=C(C=C3)C#N)C#N 1 3.763 4 0 -0.336154598490886 672445 CC(C)C1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.073 3 2 -5.13275629548251 672442 C1CCN(C1)C2=NC(=C(C(=C2C#N)C3=CC=C(C=C3)Cl)C#N)N 1 2.954 5 0 8.86359770611059e-002 672426 CC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)SC 1 3.572 2 1 -1.76829410982213 672421 CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)Cl)N 1 2.534 3 1 0.704592878689681 672420 COC1=NC(=NC(=N1)NCC2=CN=CC=C2)OC 1 1.245 5 2 0 -5.33297874578542 672416 CC1=CC(=NC(=N1)SCC(=O)NC2=NC=CC=N2)C 1 1.057 5 1 0 -13.3192087428666 672410 C1CCC(CC1)OC(=O)CNC(=O)C2=CC=CC=C2 1 2.603 1 3 -11.7274639422147 672396 CCCC1=CC=C(C=C1)C2=C(SC(=C2C#N)N)C 1 3.811 2 0 2.19472967838472 672387 C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)NC2=NC=CS2 1 2.17 3 3 -4.6859496725811 672376 CC1=C(C(=O)N(C(=O)C1=NC2=CC=C(C=C2)N(C)C)CCO)C#N 1 1.433 4 3 0 -2.67972053139897 672375 CC1=CC=C(C=C1)C2=NOC(=N2)COC3=CC4=C(C=C3)OCO4 1 3.234 2 4 1.75681907581562 672352 C1CCN(C1)C(=S)C2=CC=CS2 1 3.081 1 0 -5.37362747084879 672319 C1=CC(=CN=C1)C=NNC(=O)CC2=CC=C(C=C2)Br 1 2.316 3 1 -4.23566228091269 672306 C1=CC=C2C(=C1)C(=NS2(=O)=O)NN=CC3=CC=CC=N3 1 1.543 4 2 0 -3.00352825701987 672304 CN(C1=NS(=O)(=O)C2=CC=CC=C21)NC(=O)COC3=CC=CC=C3 1 1.494 3 4 0 -8.48356121283112 672297 CC1=NC2=CC=CC=C2C(=C1C(=O)C)N 1 1.292 2 1 0 -5.08882119825569e-002 672272 COC1=CC=C(C=C1)C2=CC(=O)NC3=CC=CC=C32 1 2.714 1 2 -2.57882875535415 672271 CC1=CC=C(C=C1)C2=CC(=O)NC3=CC=CC=C32 1 3.217 1 1 -2.16586254621001 672251 COC1=CC=CC=C1/C=C\2/C3=CC=CC=C3NC2=O 1 2.714 1 2 -3.84382887757935 672245 C1=CC=C(C(=C1)N)NC2=NC3=CC=CC=C3N2 1 2.053 4 0 1.62596858778053 672185 CC1=CC=CC2=C1NC(=O)C=C2C3=CC=CC=C3 1 3.217 1 1 -2.53730708047424 672161 COC(=O)C1=CC(=O)N2C(=CSC2=N1)C3=CC=CC=C3 1 1.715 2 3 0 -6.73335765288102 672160 C1C(=O)N=C(S1)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 3.733 3 2 -6.49682510147841 672156 CC1=NC=C(N1CC(=O)NC2CCCC2)[N+](=O)[O-] 1 0.664 4 3 0 -13.8731254110508 672127 CC(=NNC(=S)N)C1=CC=C(S1)Cl 1 2.192 3 0 -0.861796768134342 672077 CN1C2=C(CN(CN2)CC3=CC=CO3)C(=O)N(C1=O)C 1 0.212 4 3 0 -11.7290697672276 672067 CC1=CC=C(N1C)CNS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.248 2 2 -3.12926493545444 672062 CC1=CC(=C(C=C1S(=O)(=O)NC2=CC=C(C=C2)CC(=O)O)C)OC 1 2.938 1 5 -2.92540219741394 672059 CCOC1=CC=CC(=O)C2=C(N(C(=C12)C)CC3=CC=CO3)C 1 2.732 1 3 -6.132586752046 672053 CC1=NC2=CC=CC(=C2O1)C(=O)NC3CCCCC3 1 2.682 2 2 -5.68131143428404 672047 CC1=CC(=NN2C1=C3C(=C2)C(=O)N(C(=O)N3C)C)C 1 0.973 4 2 0 -9.35771548178373 672043 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NCC2=CC=CO2 1 1.55 3 3 0 -21.3743520141913 672029 CC1=NC2=CC=CC=C2N=C(C1=NOCC3=CC=C(C=C3)C#N)C 1 3.061 4 1 -2.53861107921563 672026 C1=CC=C2C(=C1)N=C(N2CC(=O)NN)C3=NON=C3N 1 -0.137 7 2 0 -6.91432404231685 672009 CN1C(=C(SC1=S)C(=O)NCC2=CC=CC=C2)N 1 2.227 3 1 -8.86263995772942 672004 C1COCCN1CC2=CC(=C(O2)C3=CC=CC=C3)C(=O)O 1 -0.822 1 4 0 1.20313004679281 672003 CC1=CC=C(C=C1)S(=O)(=O)NCCN2C=NC(=N2)[N+](=O)[O-] 1 1.257 5 4 0 -8.65468370684977 671988 CC1=CC(=CC=C1)OCC2=NN=C(O2)C3=CC=C(C=C3)F 1 3.581 2 2 -0.46175671342421 671922 CCN1C2=C3C(=C(C=C2)Cl)C=CC=C3C1=O 1 2.912 1 1 0.44495331366173 671917 CCOC(=O)C1=C(SC2=C1C=CC=C2O)NC(=O)C 1 1.898 1 4 0 -2.31037799893803 671916 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)N 1 1.362 2 3 0 -10.6680969721142 671906 C1CCC(CC1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)O 1 3.295 4 2 -25.3006494575217 671905 C1CN(CC2=CC=CC=C21)C3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.868 3 2 -0.590940656808487 671901 C1CCC(C1)SC2=NN=C(S2)N 1 2.042 3 0 -0.574946690918605 671895 CN1C2=C3C(=CC1=O)C4=CC=CC=C4C(=O)C3=C(C=C2)N5CCOCC5 1 2.361 2 3 3.58269229949066 671872 CC1=CC(=NN1C(=O)C2=C(C=NN2C)[N+](=O)[O-])C 1 1.192 5 3 0 -10.6489628485211 671867 CC1=C(C(=NC(=C1CC(=O)C2=CC=CC=C2)C)SCC(=O)O)C#N 1 3.328 2 3 -15.8065415054733 671866 C1=CC=C2C(=C1)N(C3=NC(=O)C(=NN23)CCC(=O)O)CC(=O)O 1 0.408 4 5 0 -17.5039577689446 671836 CC1=CC=C(C=C1)C(=O)N=C2C=C(C(=O)C=C2C)C(C)C 1 4.483 1 2 -2.04196564607947 671831 C1=CC(=C(C=C1Cl)Cl)CONC2=NC=NC3=NON=C32 1 2.45 5 2 0 0.221532367629256 671794 C1CSC(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 3.44 3 1 -9.47142931560392 671768 COC1=CC=CC(=C1)NC(=O)CSC(=O)N 1 0.989 2 3 0 -6.48155791834507 671764 CC1=C(C=CC=C1Cl)NC(=O)CSC(=O)N 1 2.156 2 2 -5.16935808875502 671759 CC1=NNC(=NC1=O)SCC(=O)NCC2=CC=CO2 1 0.376 4 3 0 -21.5909768841594 671755 CC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)N)C4=CC=C(C=C4)C 1 4.761 4 0 -0.919496990743986 671729 C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=CS4 1 3.177 2 3 -12.4304602873914 671720 COC1=CC=C(C=C1)NC(=O)C2=C(SN=C2SC)SC 1 3.357 2 2 -8.86456924233851 671673 C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NN 1 0.162 6 1 0 -19.2921616220646 671670 CC1=CC(=NN1CC(=O)N(C)CC2=CC=CC=C2)[N+](=O)[O-] 1 1.908 4 3 0 -17.5987219221388 671656 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=C3 1 2.265 3 2 -15.3874463976757 671655 COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)CCC3=O 1 0.53 3 5 0 -13.2074046263667 671632 CC1=CC(=NN1CC(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-] 1 1.865 5 3 0 -10.2639410870508 671628 CC1=C(C(=C(C(=N1)SC)C#N)C2=CC=CO2)C(=O)NC3=CC=CC=C3 1 3.62 3 2 -8.23656448438982 671626 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.193 1 6 0 -9.70571304533222 671603 C1CCC2=C(CC1)SC(=C2C#N)N=CN3CCOCC3 1 2.53 3 1 -11.0333640650508 671595 C1=CC=C2C(=C1)C(=CC=C2Cl)S(=O)(=O)NCC3=CN=CC=C3 1 2.746 2 2 -5.58669232460541 671594 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)Cl 1 2.477 2 2 -9.18592014766514 671585 C1COCCN1NC(=S)NC2=CC=C(C=C2)OC(F)F 1 2.647 3 2 -4.89238487270896 671576 C1CCC2=NC3=C(C=NN3C(=C2C1)C(F)(F)F)C#N 1 2.873 4 0 -6.42877972486176 671565 CCCN1C(=O)C=CC(=N1)OC2=NC(=NC(=N2)N(C)C)N(C)C 1 1.316 7 2 0 -7.97609649173982 671564 CC1=CC(=NN1)NC(=O)NC(=O)C2=C(C=C(C=C2)F)F 1 1.934 4 2 0 -2.97635403048982 671563 CCC(=O)NC1=C(C=C2C(=CC(=O)NC2=C1)C)C 1 1.972 2 2 0 -11.5660929511052 671551 CC1=C(C2=NSN=C2C=C1)S(=O)(=O)NCC3=CN=CC=C3 1 1.788 4 2 0 -3.90765012827611 671541 COC1=C(C=C(C=C1)CSC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-] 1 4.019 2 3 -7.94850638984885 671528 C1=CC=C2C(=C1)C(=O)N(C(=N2)COC3=CC=C(C=C3)Cl)N 1 2.501 3 2 -3.63948475771854 671455 COC1=C2C(=C(C=C1)S(=O)(=O)N3C=CN=C3)C=CC=N2 1 1.244 3 3 0 -5.27751523727914 671445 CC1=CC=C(C=C1)NN=C(C(=O)C)SC2=NN=CN2C 1 2.489 5 1 -6.70456481220863 671433 COC1=CC=CC=C1N2C=C3C=CC(=CC3=N2)[N+](=O)[O-] 1 3.271 3 3 0.697810287528677 671424 C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(O3)Br)C2=O 1 3.199 0 3 -1.03085702642987 671422 CC(=O)NC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CO3)C#N 1 3.078 3 2 -3.37351929084521 671388 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(O2)C=CC(=C3)Cl 1 4.41 1 3 -5.29797629031929 671359 CCOC(=O)CSC1=NC=C(N1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.56 3 4 0 -6.94033246767845 671358 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC=NN3 1 0.402 6 2 0 -23.6631641375631 671344 COC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3 1 3.73 4 1 -2.73920437991035 671321 CC(=NNC(=O)C1=NN(C=C1)C)C2=CC=CO2 1 1.137 4 2 0 -8.01372536528214 671303 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=CC=C3F 1 4.414 4 0 -3.15028249140742 671297 CC1=C(SC=C1)C=NNC(=O)CC2=CC(=O)NN2 1 0.274 4 2 0 -8.12226876989938 671294 CC1=CC=C(S1)C=NNC(=O)C2=CC=CS2 1 2.735 2 1 -3.58202346035141 671293 CN1C=CC=C1C=NNC(=O)C2=CC=CS2 1 2.227 3 1 -8.68264174142659 671288 CC1=CC=C(O1)C=NNC(=O)C2=C(OC=C2)C 1 1.473 2 3 0 -4.10007740360778 671273 CN1C(=O)N(C(=O)N(C1=O)CC(=O)N2CCCCC2)C 1 0.14 4 4 0 -12.1390711588873 671267 CC(=O)C1=CC(=CC=C1)NC(=O)N2CCOCC2 1 0.579 2 3 0 -9.54184433950925 671261 CCOC1=CC=C(C=C1)N2CC(=O)SC2=S 1 3.679 1 2 -4.56019305229439 671256 COC1=CC(=C(C=C1NC2=CC(=O)C(=O)C3=CC=CC=C32)Cl)OC 1 3.469 1 4 -1.61905035344453 671246 CC1=C(C=CO1)C(=O)OC2=CC=CC(=C2)NC(=O)C 1 1.631 1 4 0 -7.66937471104094 671244 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCC(CC2)CC3=CC=CC=C3 1 4.282 2 3 -3.36246228421554 671205 CC(C)CC1=CC=C(C=C1)/C=C/C(=O)N2CCOCC2 1 3.049 1 2 -2.48137657803425 671089 CC1=C(CC(=O)N1CC2=CC=CO2)C(=O)OC 1 0.543 1 4 0 -10.2575427482152 671084 CCN(CC)C(=O)C1=C(C(=C(S1)N)C(=O)OCC)C 1 1.963 2 3 0 -7.56999644143079 671082 C1=CC=C(C(=C1)C(=O)NC2=CC=CC=N2)C(=O)O 1 1.633 2 3 0 -5.56120138774361 671069 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C(=O)O 1 -1.903 2 5 0 -2.63042295626196 671065 C1=CC(=CN=C1)CNS(=O)(=O)C2=CC=CS2 1 0.96 2 2 0 -7.21372692214734 671038 C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2Br 1 5.115 2 0 -5.56937779673986 671037 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.5 2 4 -17.4777033111006 671018 CCSC1=NC2=CC=CC=C2N1CC(=O)N 1 1.837 3 1 0 -7.91247256672601 671015 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3)OC 1 2.431 2 4 -10.1039868913306 671014 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.865 2 2 -2.55488239261284 671013 CC1=CC(=CC(=C1)OCC(=O)NCCC2=NC3=CC=CC=C3N2)C 1 3.386 3 2 -8.68257374312442 671011 CCOC(=O)C1=C(N=C2N1C=CS2)C 1 1.216 2 2 0 -6.68066117879296 670977 COC1=CC=CC(=C1)NC2=NC=NC3=C2NC=N3 1 1.198 5 1 0 1.74304770869111 670963 COC1=C(C=C(C=C1)CC(=O)N2C(=O)C3=CC=CC=C3C(=O)N2)OC 1 1.697 2 5 0 -9.35154124509577 670962 COC1=C(C=C(C=C1)CC(=O)N2C(=O)C=CC(=O)N2)OC 1 0.647 2 5 0 -11.5542117996013 670960 CC1=CC(=O)NN(C1=O)C(=O)CC2=CC(=C(C=C2)OC)OC 1 1.093 2 5 0 -11.6544185761366 670846 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=NC=CN=C3 1 1.659 3 3 0 -18.6237481823051 670834 CC1=CC(=NC(=C1C#N)SCC2=CC=CC=C2F)C 1 4.197 2 0 -10.7794592116976 670832 CC1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)SC)OC 1 3.633 1 2 -5.51696882333288 670829 C1COCCN1CCNC(=O)CC2=CC=CS2 1 0.852 2 2 0 -13.8088244660717 670803 CC(C)CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 1 2.263 2 3 -6.44249726070962 670796 CC(C)(C)CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 1 2.469 2 3 -6.51066359293669 670792 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)OC 1 2.588 2 3 -6.37011287023555 670790 C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CC=CS3 1 2.377 1 3 -13.1035861001103 670788 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)CC2=CC=CS2 1 1.929 2 2 0 -11.0259217923963 670786 C1=CSC(=C1)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.636 2 3 0 -16.4871746848594 670778 C1=CC=C(C=C1)CCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.138 2 3 -17.9258307582047 670777 CCOC(=O)C1=CC(=CC=C1)NC(=O)CCC2=CC=CC=C2 1 3.309 1 3 -12.5864518882825 670776 CC1=CC(=NO1)NC(=O)CC2=CC=C(C=C2)Br 1 2.536 2 2 -13.4189637973913 670767 CCOC1=CC=CC=C1C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.722 1 4 -11.2967539910108 670761 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)N2CCOCC2 1 0.166 3 3 0 -10.607570398549 670759 CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCOCC2 1 1.044 2 4 0 -12.20935894743 670758 CC1=CC(=NC(=N1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C 1 3.181 3 2 -8.02717384563762 670757 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NOC(=C2)C 1 2.75 2 5 0 -19.659841147831 670756 CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.586 1 5 -11.4533733054967 670755 CCC(CC)NC(=O)CC1=CC=CC=C1OC 1 2.83 1 2 -10.3694250090218 670749 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.153 2 2 -10.3650317454309 670741 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C)C 1 2.181 2 1 2.31814072597337 670729 CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)N(C)C 1 2.981 2 3 -11.6775831213228 670719 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 1.336 2 3 0 -6.77547697438315 670717 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CO3 1 2.619 2 3 -2.75183350123641 670716 CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3C)C 1 4.178 2 2 1.52680624100103 670712 CCOC1=CC=C(C=C1)C(=O)NC2=NOC(=C2)C 1 2.085 2 3 -14.1223552553944 670710 CC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C 1 3.362 1 3 -8.68867717544309 670706 CC1=C(C=C(C=C1)C(=O)NC2=NOC(=C2)C)C 1 2.725 2 2 -13.1945882914641 670703 CC1=CC(=NO1)NC(=O)C2=CC(=CC(=C2)OC)OC 1 1.72 2 4 0 -15.9413981688975 670698 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])N 1 1.896 4 3 0 -5.92886955080153 670694 C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=CS3 1 3.094 1 2 -7.83087929549664 670685 CC(C)CN1C(=O)C2=CC=CC=C2NC1=S 1 3.333 2 1 -6.9877702661871 670679 C1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)CC3=CC=CC=C3 1 3.6 1 2 -6.11498730937394 670671 CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)F)F 1 3.022 2 1 -4.79045292559841 670664 CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)OC 1 1.103 4 2 0 -18.4357218891292 670659 CC1=CC(=NC(=N1)SCC(=O)C2=CC=C(C=C2)Cl)C 1 3.599 2 1 -4.01982789336516 670654 C1=CC=C(C=C1)CNCC(=O)NC2=CC=C(C=C2)F 1 2.209 2 1 -3.77005583944833 670650 C1COCCN1CC(=O)NC2=CC=C(C=C2)F 1 0.849 2 2 0 -6.28255783575585 670647 CC1=CC(=CC(=C1)NC(=O)C(=S)NCC2=CC=CC=C2)C 1 3.953 2 1 -5.85651950760795 670633 CCOC1=CC=C(C=C1)N2C(=O)CCC2=O 1 1.322 1 3 0 -7.74872337864044 670584 CC1=CC=C(C=C1)NC(=O)C(=S)NCC2=CC=CO2 1 2.649 2 2 -6.80642727854083 670547 C1=CC(=C(C=C1C(F)(F)F)NC(=O)C2=CC=NC=C2)Cl 1 3.07 2 1 -1.0168995791375 670543 C1=CC2=C(C(=C1)Cl)NC(=O)C=C2C(=O)O 1 1.506 1 3 0 -6.40131475900851 670527 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.774 1 3 -12.1748150852325 670502 COC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)OC 1 2.535 1 3 -10.0027077637871 670500 C1=CC=C(C(=C1)C(=O)NC2=NC=CS2)[N+](=O)[O-] 1 1.506 3 3 0 -9.90350956538117 670484 C1=CC(=CC=C1C(=O)C2=CC=NC=C2)[N+](=O)[O-] 1 1.978 2 3 0 -3.80242973961057 670483 C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=CC=C3)F 1 3.884 3 0 0.452527195414659 670478 C1=CC(=CC=C1C2=CC=C(O2)C=O)S(=O)(=O)N 1 1.499 1 4 0 -2.93580323564798 670450 COC(=O)C1=C(C=CS1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.191 1 5 -10.9440942233238 670423 CN=C(C1=CC=C(C=C1)[N+](=O)[O-])N2CCCCC2 1 2.316 3 2 -4.65327336083898 670417 C1=CSC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)O 1 3.963 2 2 -12.1916579873609 670414 COCC1=C2C(=NN1)OC(=C(C23CCSCC3)C#N)N 1 0.873 4 2 0 -3.67714360764002 670394 CCOC(=O)C1=C2N=CC(=CN2N=C1)C3=C(C=NN3)[N+](=O)[O-] 1 0.455 6 4 0 -9.46426798432293 670341 C1=CC=C2C=C(C=CC2=C1)NCC(=O)NN=CC3=CC=CC=N3 1 2.53 4 1 -4.26750135740604 670331 CC1=CC(=NO1)NC(=O)C2=C(C=C(C=C2)OC)OC 1 1.72 2 4 0 -13.1219264156807 670317 CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)CC2=CC=CC=C2 1 2.528 1 4 -9.44639173008573 670301 CC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C 1 1.852 2 2 0 0.696530696721175 670283 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4 1 2.506 2 3 -7.36183512850962 670282 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CS3 1 2.719 2 3 -8.86150301521988 670281 CC1=CC(=NO1)NC(=O)C2=CC=CS2 1 1.706 2 2 0 -13.5711155188873 670270 CC1=CC(=NO1)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.082 2 2 -8.9825402196378 670267 CC1=CC(=NC(=N1)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C 1 3.25 3 1 -3.10870874432668 670263 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)OC 1 1.736 2 3 0 -13.3561321036864 670260 CCC(CC)NC(=O)C1=CC=C(C=C1)Cl 1 3.476 1 1 -6.73534895373082 670257 CC1=CC(=NC(=N1)NC(=O)C2=CC=C(C=C2)Cl)C 1 2.586 3 1 -5.24733572864431 670248 CCN(C1CCCCC1)C(=O)COC2=CC=CC=C2 1 3.286 1 2 -6.83321299506913 670182 COC1=C(C=CC(=C1)SC)C(=O)NC2=CC=CC=C2C#N 1 3.019 2 2 -4.5548387359066 670178 CN(CC1=CC=CC=C1)C(=O)C2=C(C=C(C=C2)SC)OC 1 3.352 1 2 -3.16496962184126 670172 CCOC1=CC=CC=C1NS(=O)(=O)N(C)C 1 0.664 2 3 0 -6.12183352646659 670169 CCC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)N 1 1.955 2 2 0 -8.82521290815675 670148 CCN(C1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)Cl)OC 1 3.817 1 2 -5.8549488531663 670145 C1=CSC(=C1)CC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.605 2 2 0 -11.4570666421428 670143 C1=CSC(=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.308 2 3 0 -13.0596278440754 670141 CCOC1=CC=CC=C1NC(=O)CC2=CC=CS2 1 2.935 1 2 -11.8115915331956 670140 CC1=CC=CC=C1NC(=O)CC2=CC=CS2 1 3.089 1 1 -10.0513188127526 670139 COC1=CC=CC=C1N2CCN(CC2)C(=O)CC3=CC=CS3 1 2.845 2 2 -8.14371159763538 670134 CC1=NC(=CC=C1)NC(=O)CC2=CC=CS2 1 2.274 2 1 -7.07459295400168 670110 CCN(C1CCCCC1)C(=O)CCC2=CC=CC=C2 1 3.942 1 1 -8.4891111532557 670103 CN(CC1=CC=CC=C1)C(=O)CCC2=CC=CC=C2 1 3.318 1 1 -10.0225667540389 670095 C1=CC=C(C=C1)CCNC(=O)CC2=CC=C(C=C2)Br 1 3.726 1 1 -8.61298290178456 670093 C1CN(CC2=CC=CC=C21)C(=O)CC3=CC=C(C=C3)Br 1 3.685 1 1 -10.4209086906165 670085 C1=CC=NC(=C1)NC(=O)CC2=CC=C(C=C2)Cl 1 2.702 2 1 -2.54555822715073 670067 CC1=C(C(=CC=C1)C)NC(=O)CC2=CC=CS2 1 3.575 1 1 -9.70615311804098 670059 CC1=CC=C(C=C1)CNS(=O)(=O)N(C)C 1 0.825 2 2 0 -3.43865831207835 670058 CC1=CC=C(C=C1)CNC(=O)CC2=CC=CS2 1 3.096 1 1 -11.4083321628852 670038 C1=CC=C(C=C1)CNC(=O)CC2=CC=C(C=C2)Br 1 3.404 1 1 -9.2045364136503 670019 COC1=CC=C(C=C1)CNC(=O)CC2=CC=CS2 1 2.593 1 2 -11.8212983720293 670001 CCOC(=O)C1CCN(CC1)C(=O)CC2=CC=CS2 1 1.908 1 3 0 -13.2972720306528 669998 CCOC(=O)C1CCN(CC1)C(=O)CCC2=CC=CC=C2 1 2.411 1 3 -10.8010067179003 669993 CC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CS2 1 2.342 1 2 -11.1039143410322 669966 C1=CC(=CN=C1)CNC(=O)CC2=CC=CS2 1 1.459 2 1 0 -14.0286157898193 669958 CN(C)S(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2 1 0.502 3 2 0 -13.9940591170017 669941 CCOC1=CC=C(C=C1)NS(=O)(=O)N(C)C 1 0.664 2 3 0 -2.36152559718365 669928 C1CCN(C1)C(=O)CC2=CC=C(C=C2)Br 1 2.488 1 1 -7.06994046347979 669924 C1COCCN1CCNC(=O)CC2=CC=C(C=C2)Br 1 1.647 2 2 0 -10.6550412585607 669909 CN(C)S(=O)(=O)NCC1=CC=CC=C1OC 1 0.322 2 3 0 -6.6250354872768 669905 COC1=CC=CC=C1CNC(=O)CC2=CC=C(C=C2)Br 1 3.388 1 2 -10.7817729955842 669888 CC(C)NC(=O)C1=C(C=C(C=C1)SC)OC 1 2.289 1 2 -9.06968203113714 669887 CC(C)NC(=O)C1=C(C=CC(=C1)Cl)OC 1 2.412 1 2 -9.69599219103423 669886 CC(C)NC(=O)CC1=CC=C(C=C1)Br 1 2.547 1 1 -11.2303714752211 669885 C1=CN=C(N=C1)NC(=O)CC2=CC=C(C=C2)Cl 1 2.056 3 1 -4.90631818420267 669875 CN(C)S(=O)(=O)N1CCC(CC1)CC2=CC=CC=C2 1 1.618 2 2 0 -11.6734134999059 669871 COC1=C(C=CC(=C1)SC)C(=O)NC2=NC=CS2 1 2.137 2 2 -4.11028389212135 669865 COC1=C(C=CC(=C1)SC)C(=O)NC2=CC=CC=C2 1 3.14 1 2 -2.26376686655098 669859 C1CCC(C1)NC(=O)CC2=CC=CS2 1 2.428 1 1 -10.0367281755415 669854 CC(C)N(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.437 2 3 -10.2324631430068 669853 CC(C)N(CC1=CC=CC=C1)C(=O)COC2=CC=CC=C2 1 3.389 1 2 -8.1262986946795 669852 CC(C)N(CC1=CC=CC=C1)S(=O)(=O)N(C)C 1 1.271 2 2 0 -3.75861116984048 669851 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=NC=C(C=C3)Cl 1 1.551 3 3 0 -5.27670280780856 669846 C1=CC(=CC=C1CC(=O)NC2=NC=C(C=C2)Cl)Cl 1 3.366 2 1 -3.19106033918206 669834 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CC3=CC=CS3 1 3.526 2 1 -1.54715232448204 669817 C1=CSC(=C1)CC(=O)NC2=CC=C(C=C2)Cl 1 3.267 1 1 -5.5672331196487 669814 CC(C)CC(=O)NC1=C(C=C(C=C1)OC)OC 1 2.292 1 3 -12.2381629394333 669813 COC1=CC(=C(C=C1)NC(=O)CC2=CC=CS2)OC 1 2.57 1 3 -11.9579101144166 669785 COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.398 2 2 -0.464157446631704 669784 CN(C)S(=O)(=O)N1CCN(CC1)C2=CC=CC=C2 1 0.59 3 2 0 -13.8183525838998 669777 COC1=C(C=C(C=C1)Cl)C(=O)NN2C=NN=C2 1 0.881 4 2 0 -4.8552348538442 669768 CC(C)CCNC(=O)C1=CC(=CC=C1)Cl 1 3.283 1 1 -8.3801893620237 669753 CC(C)C1=CC=C(C=C1)NC(=O)N2CCOCC2 1 2.034 2 2 -6.6874207197365 669751 CC1=CC2=C(C=C1C)N(C=N2)C(=O)N3CCOCC3 1 2.197 3 2 -4.98418515471621 669704 C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=CC=C2C(=O)N 1 1.326 2 3 0 -9.47221125968577 669699 CN(C)C1=CC=C(C=C1)NC(=O)N2CCOCC2 1 1.002 3 2 0 -9.63216679500079 669678 C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)N 1 2.648 2 3 -7.33341027938692 669666 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=C2)Cl 1 1.49 3 3 0 -5.80878175298348 669661 CC1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br 1 2.94 2 2 -4.53766571631086 669659 CC1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.176 2 3 -5.31597087094038 669646 CCN(C1=CC=CC=C1)C(=O)N2CCOCC2 1 1.394 2 2 0 -10.3380724665074 669645 CN(CC1=CC=CC=C1)C(=O)N2CCOCC2 1 1.052 2 2 0 -8.23489731552649 669644 CCOC(=O)C1CCN(CC1)C(=O)N2CCOCC2 1 0.145 2 4 0 -9.71144389308456 669642 C1CN(C2=CC=CC=C21)C(=O)N3CCOCC3 1 1.12 2 2 0 -10.3155949780595 669633 CCOC(=O)N1CCN(CC1)C(=O)N2CCOCC2 1 -0.322 3 4 0 -6.81743206699235 669620 CCN(CC)C(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 3.201 1 2 -7.98297825186249 669614 CC(C)CNC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 3.489 1 2 -9.40294981091991 669613 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)N(CC#N)CC#N 1 1.964 3 2 0 -8.73475653507243 669598 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N(C)C2=CC=CC=C2 1 3.817 1 4 -9.49251712897293 669595 C1OC2=C(O1)C=C(C=C2)C(=O)NCCC3=CC=CC=C3 1 2.71 1 3 -9.31743343876979 669593 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC=CS3 1 1.38 2 3 0 -8.34504921291773 669592 C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4 1 3.669 1 3 -2.80422369066627 669591 C1CN(C2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)OCO4 1 2.663 1 3 -11.5571439566841 669590 COC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OCO3 1 2.366 1 4 -9.78328300175185 669589 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)Br 1 3.131 1 3 -5.97653910348863 669588 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)Cl 1 3.047 1 3 -4.51987935838719 669586 C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.664 1 3 -8.7115438769169 669571 COC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.366 1 4 -6.53797676765212 669568 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC=C3F 1 2.588 1 3 -7.50641940121024 669560 C1COCCN1CCNC(=O)C2=CC=CC=C2OC3=CC=CC=C3 1 2.424 2 3 -8.75479692621436 669556 COC1=CC=CC=C1CC(=O)N2CCOCC2 1 0.95 1 3 0 -11.7082787651161 669546 C1=CC=C(C=C1)C(CC(=O)NC2=CC=NC=C2)C3=CC=CC=C3 1 3.239 2 1 -8.70710456036683 669513 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.063 2 2 -4.82019634891769 669512 C1=CC(=CN=C1)NC(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.792 2 1 -2.2597583866928 669511 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Cl)Cl 1 4.113 2 1 6.7663226165784e-002 669507 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2 1 2.871 2 1 -6.87505268692788 669479 CC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC3=CC=CC=C32 1 2.471 2 2 -12.2304202004637 669478 CC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2 1 0.591 3 2 0 -13.2839376233999 669474 CCN(C1=CC=CC=C1C)C(=O)C2=CC=C(C=C2)NC(=O)C 1 2.776 2 2 -13.6628409614179 669468 CC(=O)NC1=CC=C(C=C1)C(=O)N(C)C2=CC=CC=C2 1 1.94 2 2 0 -7.8394788443132 669457 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N(C)C 1 3.27 2 1 -9.59158381424253 669449 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=N3 1 3.521 2 1 -0.531936664417833 669445 COC1=CC=CC(=C1)C(=O)NC2=NC3=CC=CC=C3S2 1 3.223 2 2 -2.86678046970851 669435 COC1=CC=CC(=C1)C(=O)NC2=NCCS2 1 2.086 2 2 -12.313336724511 669415 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CO3 1 4.078 1 3 -4.68300470710698 669410 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=CO3 1 2.933 2 2 3.8018851466665 669409 CC(C)C1=CC=CC=C1NC(=O)C2=CC=CO2 1 3.204 1 2 -4.020725393424 669405 COC1=CC=CC(=C1)NC(=O)C2=CC=CO2 1 1.993 1 3 0 -3.29244203320358 669402 C1=COC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)Cl 1 3.338 1 2 -1.14379667290409 669400 CCOC1=CC=C(C=C1)C(=O)NN2C=NN=C2 1 0.565 4 2 0 -7.04684204769427 669397 CCOC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2 1 3.275 1 2 -8.19938414105707 669395 CCOC1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C32 1 3.227 1 2 -10.7670163954462 669390 CCOC1=CC=C(C=C1)C(=O)N2CCCCCC2 1 2.949 1 2 -6.01618537764344 669387 CCOC1=CC=C(C=C1)C(=O)NCCN2CCOCC2 1 1.196 2 3 0 -10.3766150513297 669377 CCOC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2OC 1 2.937 1 3 -10.565667888057 669367 CC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C32)C 1 3.867 1 1 -9.18319319648563 669361 CC1=C(C=C(C=C1)C(=O)N(CC#N)CC#N)C 1 1.677 3 1 0 -7.64410585686438 669360 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)C 1 3.845 2 1 -0.423687845405463 669355 COC1=CC(=CC(=C1)C(=O)NCC(=O)OC)OC 1 0.712 1 5 0 -14.4686335513849 669323 COC1=CC(=C(C=C1)C(=O)NC2=NCCS2)OC 1 2.069 2 3 -11.3914611820227 669316 C1CCN(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.033 1 1 -2.87934135755335 669311 CC(C)NC(=O)C1=CC(=CC=C1)Br 1 2.512 1 1 -11.3077967575485 669309 C1COCCN1CCNC(=O)C2=CC(=CC=C2)Br 1 1.612 2 2 0 -8.75555537595477 669304 C1=CC(=CC=C1S(=O)(=O)NC2=NC=CS2)Br 1 2.063 2 2 -4.71696024876201 669300 C1=CC=C(C=C1)CS(=O)(=O)NN2C=NN=C2 1 -5.7e-002 4 2 0 -7.75929666117352 669288 CCC1=CC=CC=C1NS(=O)(=O)CC2=CC=CC=C2 1 3.266 1 2 -7.06096923691118 669287 C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=CC=C2 1 2.324 1 2 -3.63276468136657 669286 CN(C1CCCCC1)S(=O)(=O)CC2=CC=CC=C2 1 2.812 1 2 -5.0883234925858 669283 C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3 1 2.494 2 2 -13.0559212155646 669275 C1CN(CC2=CC=CC=C21)S(=O)(=O)CC3=CC=CC=C3 1 2.612 1 2 -15.291553673737 669274 C1CCCN(CC1)S(=O)(=O)CC2=CC=CC=C2 1 2.327 1 2 -14.2767821816783 669272 C1=CC=C(C=C1)CS(=O)(=O)NCC2=CC=CC=N2 1 1.396 2 2 0 -9.50181128164599 669259 C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=C(C=C2)F 1 2.53 1 2 -2.47120205547972 669258 CC1=C(C=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)Cl 1 3.475 1 2 -2.77143687700411 669257 CCC1=CC=CC(=C1NS(=O)(=O)CC2=CC=CC=C2)C 1 3.753 1 2 -6.75095275933763 669246 CC(C)C(=O)N(CC1=CC=CC=C1)C2=CC=CC=N2 1 3.257 2 1 -5.50503297604925 669243 CC(C)C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC 1 1.79 1 5 0 -16.1823157685688 669227 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F 1 2.99 2 1 -0.292151191150567 669189 COC(=O)CNC(=O)C1=CC(=CC=C1)Cl 1 1.409 1 3 0 -9.30609858601607 669179 C1COCCN1CCNC(=O)C2=CC(=CC=C2)Cl 1 1.528 2 2 0 -6.72451224633287 669174 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.931 2 3 0 -6.50586553873913 669172 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2 1 1.766 2 3 0 -8.79436589118793 669170 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2CCCCCC2 1 2.176 2 3 -11.7951538575274 669169 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCN2CCOCC2 1 -0.313 3 4 0 -11.6819886606721 669166 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2 1 1.643 2 3 0 -10.5588576430095 669165 CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 2.377 2 3 -8.61462042352691 669164 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2OC 1 1.428 2 4 0 -9.69224271393758 669153 C1=CC=NC(=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.034 2 2 -0.428914801684071 669152 C1=CC(=CN=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.495 2 2 -0.960971480056997 669151 CC1=NC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.317 2 2 -0.561686742633412 669150 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)F 1 1.265 3 2 0 -5.29929808944567 669141 COC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 1 1.043 3 3 0 -6.42414132405506 669140 CC(=O)NC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 1.421 2 4 0 -5.87438450597571 669138 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=NC=C2 1 1.167 2 2 0 -2.3769767751833 669136 C1=CC(=CN=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN=CC=C3 1 1.098 4 2 0 -5.46770247377246 669135 C1=CC(=CC=C1C(=O)NC2=CC=NC=C2)C(=O)NC3=CC=NC=C3 1 1.098 4 2 0 -5.28824867896693 669130 C1=CC(=CC(=C1)F)NC(=O)C2=CN=CC=C2 1 1.669 2 1 0 -4.33418876149843 669127 COC1=C(C(=CC=C1)OC)C(=O)N2CCOCC2 1 0.898 1 4 0 -7.7159859877998 669124 CC1=CC=CC=C1C(=O)NCC(=O)OC 1 1.231 1 3 0 -14.9382075617324 669121 COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CC=C2 1 2.504 1 3 -8.50077921836152 669094 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC3=CC=CC=C32)C 1 4.056 1 2 -9.57150717568955 669093 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC3=CC=CC=C32)C 1 4.513 1 2 -9.55450422580885 669092 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2=CC=NC=C2)C 1 2.632 2 2 -0.923255950092318 669080 C1CN(C2=CC=CC=C21)C(=O)C3=CN=CC=C3 1 1.744 2 1 0 -12.8326356088227 669075 COC1=CC=C(C=C1)CC(=O)N2CCC3=CC=CC=C32 1 2.913 1 2 -10.6089017850011 669074 COC1=CC=C(C=C1)CC(=O)N2CCCC3=CC=CC=C32 1 3.369 1 2 -9.0795314580928 669059 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)F 1 1.85 1 2 0 -7.98442451915037 669057 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=C(C=C2)OC)C 1 3.759 1 3 0.913080337839346 669041 CS(=O)(=O)N1CCC2=CC=CC=C2C1 1 1.028 1 2 0 -12.5177094556212 669040 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C 1 0.983 2 3 0 -11.6464983801177 669037 CS(=O)(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2 1 2.308 1 3 -3.76823014337515 669036 CS(=O)(=O)NC1CCN(CC1)CC2=CC=CC=C2 1 0.858 2 2 0 -2.42994901507358 669033 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NS(=O)(=O)C 1 0.451 1 6 0 -11.9161817216908 668997 C=CCN(CC=C)S(=O)(=O)C1=CC=C(C=C1)F 1 2.386 1 2 -10.6679541384126 668993 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)F 1 3.084 1 2 -7.4547182592609 668987 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2=CC=CC=N2)C 1 2.847 2 2 -3.32345850663546 668963 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C 1 3.742 1 2 -3.53543068914278 668956 C1=CC=C(C=C1)CN(C2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 3.495 2 2 -8.81837419156949 668955 C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2 1 1.389 2 2 0 -5.75651815333991 668940 CCN(CC1=CC=NC=C1)C(=O)C2=CC=CS2 1 1.979 2 1 0 -11.1210907099271 668938 C1=CC=NC(=C1)CNC(=O)C2=CC=CS2 1 1.639 2 1 0 -10.6062243194348 668930 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=CS3 1 3.032 2 1 -5.20738593347491 668925 CC(C)N(CC1=CC=CC=C1)C(=O)C2=CC=CS2 1 3.507 1 1 -7.87572084022715 668923 COC1=CC=C(C=C1)CNC(=O)C2=CC=CS2 1 2.558 1 2 -8.7170427086064 668908 C1CN(CC2=CC=CC=C21)C(=O)C3=CN=CC=C3 1 1.751 2 1 0 -11.5126720182946 668903 CCN(CC1=CC=CC=C1)C(=O)C2=CN=CC=C2 1 2.025 2 1 -10.9351872709691 668902 COC1=CC=CC=C1CNC(=O)C2=CN=CC=C2 1 1.454 2 2 0 -11.5380765125597 668901 COC1=CC=C(C=C1)CNC(=O)C2=CN=CC=C2 1 1.454 2 2 0 -9.326424454969 668900 COC1=CC=CC(=C1)NC(=O)C2=CN=CC=C2 1 1.447 2 2 0 -6.18145524158535 668899 COC1=CC(=C(C=C1)NC(=O)C2=CN=CC=C2)OC 1 1.431 2 3 0 -10.5061687100077 668895 CC1=C(C=C(C=C1)NC(=O)C2=CN=CC=C2)C 1 2.436 2 1 -6.27571501524421 668894 CC1=CC(=CC(=C1)NC(=O)C2=CN=CC=C2)C 1 2.436 2 1 -6.41656419943416 668893 C1=CC(=CN=C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl 1 2.792 2 1 -5.02498108252276 668892 C1=CC(=CN=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.792 2 1 -4.40771150739068 668891 C1=CC(=CN=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 3.07 2 1 -2.18534255268276 668887 COC1=C(C(=CC=C1)OC)C(=O)N(CC=C)CC=C 1 2.444 1 3 -12.3571918177129 668882 CCOC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2OC)OC 1 2.914 1 4 -7.39661912796063 668842 C1=CC=NC(=C1)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.014 2 1 -5.55878549988605 668839 C1=CC=C(C(=C1)C(=O)NCC2=CC=CC=N2)Cl 1 2.35 2 1 -10.0727361656954 668799 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)F 1 2.851 1 2 -3.34451183675573 668798 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)F 1 3.009 1 2 -1.99099265232473 668789 C1CN(CCN1CCO)S(=O)(=O)C2=CC=CC=C2 1 0.364 2 3 0 -12.5333060483982 668788 CN(C1CCCCC1)S(=O)(=O)C2=CC=CC=C2 1 2.805 1 2 -3.02222093780573 668779 C1=CC=C(C=C1)CCNC(=O)C2=CN=CC=C2 1 1.792 2 1 0 -9.10074981692466 668777 CCN(C1=CC=CC=C1)C(=O)C2=CN=CC=C2 1 2.018 2 1 -8.25156901332547 668758 C1=CC=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2 1 1.173 2 2 0 -5.28418177594242 668757 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3 1 2.598 1 2 -14.7520477566394 668746 C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC4=CC=CC=C4O3 1 4.28 3 1 3.002398484699 668743 C1CCC2=C(C1)C(=C(C(=C2C3=CC4=C(C=C3)OCO4)C#N)N)C#N 1 3.64 3 2 -3.43205655297568 668741 CC1=CC(=CC=C1)OCC2=NNC(=S)N2C3CCCCC3 1 4.281 3 1 -5.8419717609141 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668503 CC1=C(SC=C1)C=NN2C(=NNC2=S)C3=CC=NC=C3 1 3.036 5 0 -3.22202420367793 668499 CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=CN3C 1 4.738 5 0 -2.74260377726065 668494 CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=NC=C3 1 3.997 5 0 0.540162312522153 668493 CC1=CC=C(C=C1)C2=NNC(=S)N2N=C/C(=C/C3=CC=CO3)/C 1 4.435 4 1 -3.46297214238272 668491 CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(S3)C 1 4.332 4 0 -1.45948584126678 668490 CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=CN3C 1 3.824 5 0 -5.32073792637195 668489 CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=CS3 1 4.186 4 0 -4.41475710921299 668488 CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=CO3 1 3.628 4 1 -2.79550483996328 668487 CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(O3)C 1 3.774 4 1 -2.93792161974248 668485 CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=NC=C3 1 3.082 5 0 -2.03797183658915 668484 CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C(C=CS3)C 1 4.673 4 0 -2.75312737256937 668477 CN1C=CC=C1C=NN2C(=NNC2=S)C3=CC=CC=C3 1 3.338 5 0 -5.89264856921193 668476 C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=CS3 1 3.7 4 0 -4.98666775205297 668469 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.852 3 2 2.58921969707599 668468 C1=CC=C2C(=C1)C=CC(=C2C3NC4=CC=CC5=C4C(=CC=C5)N3)O 1 4.624 2 1 8.32660334813674 668466 CSC1=CC=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2 1 4.499 2 0 7.30018448781675 668465 COC(=O)C1=CC=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2 1 3.813 2 2 0.691214477454886 668462 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=C(C=CC=C4Cl)F 1 4.827 2 0 1.62416696581845 668461 C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC(=CC=C4)Cl 1 4.622 2 0 6.24809164710063 668458 CC1=CC=C(O1)C=NNC(=O)CC2=CC=CS2 1 2.212 2 2 -7.70281686729723 668456 CN1C=CC=C1C=NN2CCN(CC2)CC3=CC=CC4=CC=CC=C43 1 3.604 4 0 2.51285842553447 668455 C1CN(CCN1CC2=CC=CC3=CC=CC=C32)N=CC4=CC=CO4 1 3.408 3 1 5.03809151194314 668447 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=CC3=CC=CO3 1 0 6 4 0 -21.7629980344151 668444 C/C(=C/C1=CC=CO1)/C=NN2CCN(CC2)C3=CC=CC=C3 1 3.395 3 1 1.57385011476978 668438 CN1C=CC=C1C=NNC(=O)C2=CC=CO2 1 1.669 3 2 0 -8.04137833234645 668437 C1=COC(=C1)C(=O)NN=CC2=CC=CS2 1 2.032 2 2 -6.18172214007606 668434 C1=CC=C(C=C1)/C=C(/C=NNC(=O)C2=CC=NC=C2)\Br 1 2.345 3 1 -8.65703159688257 668432 C1=CC(=CN=C1)C(=O)NN=CC2=CC=CS2 1 1.486 3 1 0 -8.14495302347831 668428 CC(=NNC(=O)C1=NC=CN=C1)C2=CC=CS2 1 0.744 4 1 0 -13.0278811704625 668425 C1=COC(=C1)C=NNC(=O)C2=NC=CN=C2 1 0.205 4 2 0 -8.71636021525187 668423 C1=CC=C(C(=C1)C=NNC(=O)C2=NC=CN=C2)[N+](=O)[O-] 1 0.705 5 3 0 -9.77524050521179 668418 CC1=CC=C(S1)C=NN2C=NN=C2 1 1.143 4 0 0 1.91445236875135 668417 COC1=CC=CC=C1C=NN2C=NN=C2 1 1.028 4 1 0 0.943811033279601 668413 CC1=CC=C(O1)C=NN2CCN(CC2)C3=CC=CC=N3 1 2.122 4 1 2.28557811181549 668409 C1CN(CCN1C2=CC=CC=N2)N=CC3=CC=CC4=CC=CC=C43 1 3.49 4 0 4.95483385158636 668408 CC1=C(SC=C1)C=NN2CCN(CC2)C3=CC=CC=N3 1 3.021 4 0 2.4703723589886 668406 CC(=NNC(=O)C1=CC=CS1)C2=CC=CO2 1 2.012 2 2 -5.58893097515081 668405 C1=CSC(=C1)C=NNC(=O)C2=CC=CS2 1 2.59 2 1 -5.93956722021253 668404 C1=COC(=C1)C=NNC(=O)C2=CC=CS2 1 2.032 2 2 -5.82293049369925 668403 CC1=CC=C(O1)C=NNC(=O)C2=CC=CS2 1 2.177 2 2 -5.67965645261986 668402 CC1=C(SC=C1)C=NNC(=O)C2=CC=CS2 1 3.076 2 1 -4.58036835036643 668397 CC1=CC=C(O1)C=NNC(=O)C2=C(OC(=C2)C)C 1 1.618 2 3 0 -7.45582938326801 668392 C1=CC(=CC=C1C2=NN=C(S2)N)Cl 1 2.146 3 0 3.90697507550459 668390 C1=CC=C(C(=C1)NC(=O)C2=CC=NN2)Cl 1 2.014 3 1 -3.53264403884863 668389 C1=CC(=CC(=C1)Br)NC(=O)C2=CC=NN2 1 2.098 3 1 -2.16490156656688 668310 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC 1 1.421 2 4 0 -9.83173013676399 668308 CC1=CC=C(C=C1)NC(=S)NNC(=O)NC2=CC=CC=C2 1 3.668 4 1 -4.8559543282596 668306 CC1=CC(=CC=C1)OCC(=O)N2CCCC3=CC=CC=C32 1 3.673 1 2 -6.84220579026851 668303 CC1=CC=C(C=C1)OCC(=O)N2CCCC3=CC=CC=C32 1 3.673 1 2 -7.83665435288252 668301 C1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC=CO2 1 1.174 3 3 0 -5.66344423124377 668271 C1COCCN1C(=S)NC2=CC=CC=C2 1 2.735 2 1 -12.3446871630858 668231 C1=CC=C(C=C1)CNC(=O)NC2=CC=CC3=CC=CC=C32 1 3.438 2 1 -7.57986190246439 668202 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)/C=C/C(=O)O 1 1.574 2 5 0 -7.33234681687241 668163 CC(=NNC(=O)C1=CN=CC=C1)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.407 4 3 0 -10.8885970801406 668161 CC1=CC(=NC(=N1)SCC(=O)NN)C 1 4.1e-002 4 1 0 -9.91600627153586 668132 CC(=O)NC1=C(C(=CC(=N1)C2CC2)C3=CC=CC=C3)C#N 1 2.776 3 1 -7.76836369373731 668120 C1CC1C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)N 1 2.909 3 0 -4.53202403074498 668113 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=NNC(=S)N 1 3.616 3 0 -0.513650485830442 668112 C1=CC=C(C(=C1)C=NNC(=S)N)[N+](=O)[O-] 1 1.694 4 2 0 -5.23336325440071 668109 C1CC2=C(C1)N=C(C(=C2C3=CC=CC=C3)C#N)N 1 2.933 3 0 -1.04973512745299 668094 C1=CC(=CC=C1C=NNC(=S)N)[N+](=O)[O-] 1 1.694 4 2 0 -5.92404607643159 668067 C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)Br)C3=CC=NC=C3 1 4.669 2 0 0.982877302372112 668066 CC12CN3CCN(C1)CC(C3)C2=NN=CC4=CC(=CC=C4)[N+](=O)[O-] 1 1.899 5 2 0 -5.57256817528731 668045 CCC(=NN1C(=NN=N1)NC2=CC=CC=C2)C3=CC=CC=C3 1 2.887 6 0 -10.5081109139359 668033 CC1=C(C=NC2=C(C=NN12)[N+](=O)[O-])C(=O)O 1 -9.1e-002 4 4 0 -9.06580256848631 668032 CCOC(=O)C1=C(N2C(=C(C=N2)[N+](=O)[O-])N=C1)C 1 0.484 4 4 0 -11.286391876825 668011 CCC1=CC=C(C=C1)C2=CN3CCSC3=N2 1 3.714 2 0 3.65521384333315 668002 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O 1 1.57 2 4 0 -9.54769769389803 667997 CCC(=NNC(=S)NC1=CC=CC(=C1)C)C2=CC=CC=C2 1 5.219 3 0 -5.45287217515107 667995 CC1=CC(=CC=C1)NC(=S)NN=C(C)C2=CC(=CC=C2)N 1 3.806 4 0 -5.07637560549179 667994 CC1=CC(=CC=C1)NC(=S)NN=C(C)C2=CC=CC=C2 1 4.552 3 0 -6.13118588696778 667960 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC=NC=C3)Cl 1 1.965 3 3 0 -4.21280131921296 667945 CN1C(=CC(=N1)C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 2.783 4 2 -10.8714057388171 667917 CC1=CC(=NC(=N1)NC2=CC=CC=C2OC)NC3=CC=CC=C3OC 1 3.186 4 2 -1.34738009236048 667889 C1=CC(=C(N=C1)Cl)NC(=O)/C=C/C2=CC=CO2 1 2.2 2 2 -4.57378655731458 667845 COC1=CC=C(C=C1)[C@H]2C(O2)(C(=O)N)C(=O)N 1 -0.516 2 4 0 -0.939336821946076 667838 C1=CC=C(C=C1)CN2C=CNC2=S 1 1.998 2 0 0 -1.95326384698152 667830 C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=NC=C2 1 2.123 4 1 -7.20583504525825 667824 CCNC1=NC(=NC(=N1)ON=C(C)C)NCC 1 0.814 6 1 0 -3.36966072356785 667823 CC(=NOC1=NC(=NC(=N1)N(C)C)N(C)C)C 1 0.528 6 1 0 -2.66394899280283 667806 COC(=O)C1=CC(=CC=C1)N2CCCC2=O 1 1.267 1 3 0 -15.3098325529058 667801 COC1=CC=CC(=C1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 4.669 1 2 0.317480913892057 667799 C1=CC=C(C=C1)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 4.52 1 2 -0.244477472593388 667797 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 2.346 1 4 -7.40856654193286 667794 COC(=O)CCC(=O)NC1=NC=CS1 1 1.8e-002 2 3 0 -15.1786526389462 667745 CCOC(=O)C1=C(C(=CN1C2=CC=CC=C2)C#N)N 1 2.334 3 2 -3.11509018215039 667742 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=CC=CO3 1 2.615 2 3 -7.97489106163845 667737 C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O 1 2.03 1 5 -8.07474565260393 667735 C1CN(CCN1CCCC2=CC=CC=C2)C3=CC=CC=N3 1 3.698 3 0 5.21277990417806 667726 CC(=O)N1CCC(=NNC2=C3C=CC(=CC3=NC=C2)Cl)CC1 1 2.054 4 1 -5.61943276175916 667675 COC1=CC=C(C=C1)N2CCN(CC2)CC3=NC4=CC=CC=C4N3 1 3.225 4 1 5.97477159119148 667680 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)N 1 3.092 2 0 5.92251178858941 667720 CC1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)C 1 3.489 2 0 1.37904428377477 667701 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)OC 1 2.565 1 4 -18.1108381754903 667700 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)OC 1 2.572 1 4 -18.5870704434637 667696 C1=CC(=CC(=C1)C2=CC=C(C=C2)O)C3=CC=C(C=C3)O 1 4.382 0 2 8.34138871088035 2212741 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 2.639 3 4 0 -10.9807190818973 2212730 C=CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)C3=CC=CO3 1 2.054 5 2 0 -16.0020222494679 2212727 CC(C)OC(=O)C1=CC=C(C=C1)COC(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 5.074 2 5 0 -5.94132185002698 2212720 CC1=CC=C(C=C1)C(=O)NCCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3OC 1 2.822 5 3 0 -24.0668137352909 2212711 CC1=NC2=C(C=C(C=C2)NC(=S)N(C)C3=CC=C(C=C3)OC)N=C1C 1 4.733 4 1 -6.39338332956175 2212703 C1=CC=C2C(=C1)C(=CN2CC(=O)O)C(=O)C3=CC=CS3 1 3.168 1 3 -9.35245408831633 2212689 CCCCC(=O)NC1=CC=CC(=C1)C2=NN3C(=NN=C3S2)C 1 2.413 5 1 -11.548361972112 2212688 CC1=CC(=NC(=N1)NC(=NCC2=CC3=C(C=C2)OCO3)NC(=O)NC4=CC=CC=C4)C 1 3.222 6 3 0 -4.97578558618418 2212685 CC1=CC(=O)N=C(N1)SCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3 1 2.745 5 2 0 -29.2394336957804 2212682 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C3=NNC(=S)O3)Br 1 4.076 3 2 -8.65266737073991 2212656 CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC4=C(O3)C=CC(=C4)Br 1 4.018 4 4 0 -8.22145154861594 2212652 CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3 1 3.784 3 4 0 -18.552810372439 2212634 CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC3=CC=C(C=C3)F 1 3.743 4 1 -15.2265498746738 2212622 C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)CNC(=O)C3=CC=CS3 1 2.304 5 4 0 -27.6174637213644 2212619 CCN1C(=NN=C1SCC2=NC(=NO2)C3=CC=CC=C3)C4=CC=CS4 1 3.877 5 1 -4.46137291775069 2212618 CC1=C(N(C(=NC1=O)SCC(=O)NC2=NC=CS2)C3=CC=CC=C3F)O 1 2.961 4 3 0 -13.6540562296789 2212608 CC1=C(C=C(O1)C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=NC(=NS3)CC(=O)C 1 3.739 3 3 2.70670079334069 2212602 CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C)CCCOC3=C(C=C(C=C3)Cl)Cl)C 1 6.206 4 2 -14.2082348911443 2212599 COC1=C(C=C(C=C1)Cl)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3 1 4.182 2 4 -10.1095606685727 2212587 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)Br 1 2.846 3 4 0 -14.7094147208438 2212582 CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC=CS3 1 4.073 5 2 0 -25.1930063175517 2212576 COCCNC(=O)C1=CC=CC=C1NC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 1.621 3 5 0 -21.4446912911393 2212572 C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)N)Cl)C(=O)O 1 2.781 1 3 -1.31743749558096 2212554 CC(C)OCCCNC(=O)C1=CC=CS1 1 1.649 1 2 0 -13.2786439673634 2212553 CCCN1CCC(CC1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.2 4 2 -11.0139867478415 2212548 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CC=C(C=C2)C(=O)O 1 2.047 3 5 0 -6.43237758512045 2212546 COC1=CC(=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)OC 1 5.901 2 3 -9.31519227301887 2212538 C1=CC=C(C=C1)OC2=CC=CC=C2NC(=S)NC3=C(C(=CC=C3)Cl)Cl 1 7.255 2 1 -3.4720148849199 2212536 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CO3 1 2.507 5 3 0 -16.5568965526266 2212510 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4C(F)(F)F 1 5.247 3 1 -9.94599329139385 2212492 COC1=CC(=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)OC 1 3.138 3 5 0 -25.0412970358703 2212471 CC1=CC(=NN1C)CNC(=S)NC2=C(C(=CC=C2)Cl)Cl 1 4.435 4 0 -12.2311432867452 2212457 COCCNC(=O)C1=CC=CC=C1NC(=O)NC2=CC=CC=C2 1 1.6 3 3 0 -15.5552904806502 2212419 CN(C1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NCC=C)S(=O)(=O)C 1 1.556 3 4 0 -21.5971752803501 2212387 CCCCC(=O)NC1=NC(=O)C(S1)(C)C 1 2.465 2 2 -12.2299316736706 2212375 C1=CC=C(C(=C1)N/C=C/C(=O)C2=CC=CS2)F 1 3.202 1 1 -4.29472508476986 2212364 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.928 3 3 -1.28520245274607 2212353 CN(C1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=CC=C4 1 3.772 3 3 -9.84799585164695 2212346 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC(=CC=C3)OC 1 2.969 3 4 0 -4.75418688028249 2212317 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2N(C)S(=O)(=O)C 1 0.569 3 5 0 -13.3481406699776 2212314 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NCCN2CCOCC2 1 1.564 3 3 0 -16.9624835142424 2212310 CCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 1.877 4 5 0 -17.6318996296191 2212292 COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl 1 4.966 3 1 -4.96122495529288 2212288 COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 4.203 5 4 0 -3.54726627935818 2212279 CC1=C(C=CC(=C1)Cl)OCCCC(=O)NNC(=O)NC2=C(C=CC(=C2)OC)OC 1 3.302 3 5 0 -8.57156901626328 2212248 C1CN(CCN1CCNC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3 1 3.378 4 1 -0.327893351710818 2212246 CN(C1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)S(=O)(=O)C 1 1.2 3 6 0 -22.2686692355446 2212236 C1CN(CCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)C3=CC=C(C=C3)F 1 2.543 4 4 0 -26.2269614509505 2212219 C1CN(CCN1C(=S)NC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl 1 5.166 3 2 -21.1027736588503 2212212 C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.425 5 3 0 -2.42242304474879 2212207 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)NC3=C(C=C(C=C3)F)F 1 3.907 3 3 -4.86986019659395 2212205 CC(=O)C1=CC(=CC=C1)NC(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.848 3 3 -5.04405968009311 2212202 C1CN(CCC12OCCO2)C(=S)NC3=C(C=C(C=C3)Br)Cl 1 4.525 2 2 -9.16102897204834 2212179 COC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC 1 1.909 3 5 0 -22.0096593442652 2212174 CC(C)CNC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=CC=C3 1 3.708 3 4 0 -19.960625722687 2212156 CCOC1=CC2=C(C=C1)SC(=N2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 3.242 2 5 0 -8.35661783159621 2212134 CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])OC 1 6.074 3 5 0 -21.0190847155801 2212131 CCOC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)NC)NC3=CC=CC=C3 1 3.522 5 3 0 -8.63447522049676 2212108 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4 1 3.833 2 4 2.9036112177331 2212102 CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5 1 4.667 4 3 0 -7.49441502006221 2212081 C1OC2=C(O1)C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4 1 3.689 2 5 0 -14.837964475806 2212075 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 4.036 3 4 0 -11.5507486855307 2212071 COCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)NCC3=CC=C(C=C3)F 1 3.267 4 2 -1.09826421952997 2212069 COC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3)OC 1 5.672 2 2 -11.9477660757549 2212056 COC1=C(C=C(C=C1)Cl)NC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.945 2 4 -7.83656747496358 2212050 CCSC1=CC=CC=C1C(=O)N2C3=CC=CC=C3N=N2 1 3.979 3 1 -7.23211968930276 2212043 C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)NC3=C(C(=CC=C3)Cl)Cl 1 7.262 2 1 -4.7856666024174 2212029 C=CCNC(=S)NNC(=O)COC1=C(C=C(C=C1Cl)Cl)Cl 1 3.865 3 2 -13.0808979909202 2212017 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3 1 3.221 3 3 -24.967485016315 2212014 C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)CSC3=CC=CC=C3 1 5.232 1 2 -3.89463012805158 2212011 CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CC(=O)O)C 1 4.305 2 4 -18.9292148960004 2211986 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NCC(=O)OC 1 1.444 2 4 0 -19.5440698539256 2211973 C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(O3)C4=CN=CC=C4 1 3.553 3 1 -6.28839740215331 2211956 C1=CC(=C(C=C1F)F)NC(=O)NC2=CC=NC=C2 1 1.783 3 1 0 -3.41044482021667 2211952 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.725 3 3 -4.28020812822678 2211921 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3[N+](=O)[O-] 1 1.645 3 5 0 -18.5573411498671 2211915 CCOC1=CC=C(C=C1)CC(=O)NNC(=S)NCCC2=CC=CC=C2 1 3.691 3 2 -12.6090747487584 2211884 COC1=CC(=C(C=C1NC(=S)NC2=C(C=C(C=C2)Br)Cl)OC)Cl 1 6.411 2 2 -7.01561492378746 2211877 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CO4 1 2.562 2 5 0 -7.7066428280075 2211865 C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC(=C3)O)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O 1 4.449 2 5 0 -5.94849809777515 2211860 CC1=CC=C(C=C1)CNC(=S)NNC(=O)OC 1 2.468 3 2 -9.50577371807958 2211859 CC1=C(C=CC2=C1OC(=C(C2=O)N3C(=O)C4=CC=CC=C4C3=O)C)OC(=O)C 1 2.469 1 6 0 -4.06554958316595 2211856 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC4=C(C=C3)OCO4 1 1.383 4 4 0 -15.8668259782654 2211815 C1CCC(CC1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3Cl 1 5.257 3 0 -7.06387336803076 2211803 C1=CC(=CN=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.175 6 2 0 -16.8071458842713 2211796 CC(=O)C1=CC(=CC=C1)NC(=S)NC2=NN(C=C2Cl)CC3=C(C=C(C=C3)Cl)Cl 1 6.399 4 1 -7.99960286136111 2211777 CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CN(N=C2)CC3=C(C=C(C=C3)Cl)Cl 1 3.824 4 2 -7.03952188947476 2211776 CCOC1=CC=C(C=C1)NC(=O)NCC=C 1 1.895 2 2 0 -9.72551466055438 2211769 CC1=CC(=NN1C(=O)C2=C(C(=C(C=C2)Cl)F)F)C 1 3.431 2 1 -5.21716842467076 2211754 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N4CCN(CC4=N3)CC5=CC=CC=C5 1 4.194 4 2 -0.9661171815711 2211739 COC1=CC=C(C=C1)N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)F 1 3.117 2 6 0 -15.1528771687609 2211730 CCC1=CC(=C(S1)NC(=S)NC2=NC(=CC(=N2)C)C)C(=O)OC 1 3.656 4 2 -14.4679406830508 2211720 CCSC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 2.217 2 3 -17.8786004612326 2211719 COC1=CC=C(C=C1)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 3.489 2 4 -23.6519748860803 2211711 CCSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C 1 2.2 2 4 -16.041097088887 2211690 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC=NC=C5 1 2.682 3 4 0 2.58870466032538 2211683 COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3 1 3.045 3 3 -8.57633449954132 2211672 CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)F 1 2.701 4 2 -8.50153201848949 2211671 COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCOCC4 1 4.037 3 4 0 -24.1813126726617 2211650 CC1=C(C=CC(=C1)S(=O)(=O)NCCC2=CCCCC2)OCC(=O)OC 1 3.245 1 5 -12.7510164190717 2211649 CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 5.811 2 2 -5.70749755530069 2211640 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)Cl 1 5.091 3 1 -11.2056130890188 2211639 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CC=C(O2)Br)C 1 3.923 2 2 -11.2936805451969 2211632 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=C(C=C(C=C3)F)F 1 2.026 4 2 -13.7274275997748 2211623 CS(=O)(=O)N(CC(=O)NC1=CC(=C(C=C1)F)F)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.888 3 5 0 -14.1902646446756 2211619 CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 6.572 2 3 -12.3402450420827 2211616 CC1=CC(=C(C=C1)OC)NC(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 3.11 3 2 -5.74774055629837 2211613 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3C(=O)OC 1 1.471 4 4 0 -21.3132664484846 2211603 CCOC1=CC=CC=C1NC(=O)NC2=C(C=CC(=C2)OC)OC 1 2.822 2 4 -9.79974937330885 2211602 CC(C)SC1=NC2=C(N=CN(C2=N1)CC3=CC=CC=C3)N 1 3.136 5 0 -7.48476959390816 2211568 CC1=CC(=CC=C1)N(CC(=O)NC2=CC=CC=C2SC)S(=O)(=O)C 1 2.611 2 3 -17.7249757015025 2211563 COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.842 3 3 -7.30244212368585 2211539 C1COCCN1C(=O)COC2=CC=C(C=C2)C(=S)N3CCOCC3 1 1.292 2 4 0 -10.4257575421236 2211533 C1=CC=C(C=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-] 1 3.442 3 4 0 -4.18927873027774 2211508 COC1=CC(=C(C=C1)OC)NC(=O)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3 1 3.1 3 5 0 -8.12455024112366 2211503 CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=C(C=C(C=C2)Br)Cl 1 5.895 2 2 -5.3627947508289 2211495 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4C(F)(F)F 1 5.299 3 2 -7.09331133089258 2211479 CC1=CC(=NC(=C1)NC(=S)NC2=C(C=C(C=C2)Br)Cl)C 1 5.936 3 0 -0.939582351432432 2211467 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.432 3 5 0 -12.2332489117633 2211464 COC1=C(C=C(C=C1)Cl)NC(=O)N(CC=C)CC=C 1 3.033 2 2 -8.97818590096403 2211455 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)F 1 2.727 3 2 -3.05628330335917 2211423 C1OC2=C(O1)C=C(C=C2)N3C(=NN=N3)SCC(=O)NCC4=CC=CC=C4 1 2.211 5 3 0 -25.5485093685962 2211422 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=NN2C3=CC=CC=C3SC 1 3.951 5 1 -25.5080232204719 2211396 C1=CC=C(C=C1)N2C(=NN=N2)SCCOC3=CC=CC=C3F 1 3.638 4 1 -12.9490926291007 2211391 CC1=CC(=CC(=C1)NC(=O)COC2=CC3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C 1 5.873 1 4 -12.3495126346791 2211378 C1=CC=C(C=C1)COC(=O)/C(=C/C2=CC=CC=C2Cl)/NC(=O)C3=CC=CO3 1 4.285 1 4 -8.72786956514355 2211358 CN(C1=CC=CC=C1C(=O)NC2=CC=CC=C2C3=CC=CC=C3)S(=O)(=O)C 1 3.25 2 3 -5.68926182045588 2211342 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl 1 4.389 3 4 0 -11.6154703101459 2211338 COC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CO4 1 3.491 4 3 0 -5.77044127795297 2211335 COC1=CC(=C(C=C1)NC(=O)NCCCN2CCCC2=O)OC 1 0.629 3 4 0 -25.900385200795 2211326 CC1=C(N=CC=C1)NC(=S)NC2=C(C=C(C=C2)Br)Cl 1 5.654 3 0 0.250998459299087 2211323 C1=CC(=CC(=C1)[N+](=O)[O-])N/C=C/C(=O)C2=CC=CS2 1 2.891 2 3 -6.4446447019911 2211320 C1=COC(=C1)CNC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl 1 5.27 2 1 -5.63258570833125 2211310 CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl 1 5.403 3 1 -7.98972802772337 2211303 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 2.231 2 4 -7.21566591511282 2211284 CC1=C(C=CC(=C1)N/C=C/C(=O)C2=CC=CS2)F 1 3.688 1 1 -5.55511606627961 2211282 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3N(C)S(=O)(=O)C4=CC=CC=C4 1 4.682 2 5 0 -23.208747874663 2211281 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4 1 3.924 3 3 -20.9682793022678 2211279 COC1=C(C=C(C=C1)Cl)NC(=S)NCCCN2CCCC2=O 1 2.876 3 2 -21.8048468648491 2211212 CC1=CC2=C(C=C1)N(CCC2)C(=O)NC3=C(C=C(C=C3)OC)OC 1 3.713 2 3 -10.7602060113918 2211217 CC(C)[C@@H](C(=O)NCCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2 1 3.329 2 2 -21.2484311635494 2211223 CC1=C(C=CC=C1Cl)NC(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3 1 3.548 3 2 -6.93920609645701 2211225 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NCC2=CC=CO2 1 2.135 3 5 0 -14.6993707237706 2211267 COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O 1 2.579 1 6 0 -6.98935108782848 2211253 COCCCNC(=O)NC1=C(C=C(C=C1)Br)Cl 1 2.29 2 2 -9.02323546645582 2211247 C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(O3)C=CC(=C4)NC(=O)C5=NC=NN5 1 3.14 5 2 0 5.93171894434582 2211233 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O 1 1.793 1 4 0 -14.7066308137905 2211231 CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC2=C(C=C(C=C2)F)F)C 1 3.993 4 2 -9.81960847034231 2211189 CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCCC2=CCCCC2 1 2.984 2 4 -17.6842730782193 2211185 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Br 1 2.464 2 3 -12.6286417421043 2211176 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=S)NC3=C(C=C(C=C3)F)F 1 5.467 3 0 -1.67521230589185 2211162 CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Br)Cl 1 5.519 2 1 -6.1955050703883 2211157 C1=CC(=C(C(=C1)Cl)CC(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)F 1 3.409 6 3 0 -16.8719072353918 2211141 CC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3=CC=C(C=C3)OC 1 4.876 3 1 -6.89197171843332 2211133 CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=O)CN3C=NC4=C3N(C(=O)N(C4=O)C)C 1 1.529 6 4 0 -20.6811400524287 2211111 CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC6=CC=CC=C65 1 2.618 6 4 0 -3.4210971647255 2211100 C1CN(CCC1NC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4 1 2.408 3 3 -5.18083461644419 2211094 COC(=O)C1=C(C=CS1)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.226 3 5 0 -10.0517678156065 2211058 C1CN(CCN1C(=O)C2=CC=CO2)C(=S)NC3=CC=CC=C3C(F)(F)F 1 4.266 3 2 -11.532383457245 2211008 CC(C)C1=CC(=C(C(=C1)C(=O)NNC(=S)NCC2=CC=CO2)O)C(C)C 1 4.331 3 3 -5.92795067012989 2211034 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C 1 0.364 3 5 0 -21.3172248627513 2211015 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)N3CCCCC3)C 1 2.741 3 3 -13.2382130818788 2210959 CC1=CC=C(C=C1)N/C=C/C(=O)C2=CC=CS2 1 3.482 1 1 -3.90857243189251 2210930 CCCCCC1=NN=C(S1)NS(=O)(=O)C 1 1.511 3 2 0 -10.6188881661341 2210920 COC1=C(C=C(C=C1)NC(=O)NC2=NOC=C2)OC 1 1.483 3 4 0 -8.94383683026788 2210901 C1COCCN1CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.801 2 4 -2.34945001792689 2210899 COC(=O)COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3)Cl 1 2.44 1 7 0 -11.912522615109 2210882 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC(=CC=C3)F 1 3.102 3 3 -3.73442909947953 2210872 CC1=C(C(=C(C=C1)C(=O)N2CCOCC2)F)F 1 1.828 1 2 0 -7.47800070427827 2210858 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 4.921 2 2 -7.59699068021414 2210836 CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)C 1 5.562 3 1 -9.80575043743074 2210806 CN(C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C 1 2.425 3 5 0 -13.8514187563152 2210801 C1=CC=C(C(=C1)NC(=S)NC2=C(C(=CC=C2)Cl)Cl)OC(F)F 1 6.501 2 1 -3.8396238138931 2210788 CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=S)N3CCCC3)OC 1 5.165 1 2 -8.28192485867049 2210784 C1CN(CCN1C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.168 3 5 0 -19.5130744428059 2210762 C1=CC(=C(C(=C1)Cl)Cl)NC(=S)NC2=CC=C(C=C2)CC(=O)O 1 5.36 2 2 -8.59651201689095 2210754 COCCNC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(S2)Br 1 1.749 2 4 0 -13.452801236705 2210746 COC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)O 1 1.561 1 4 0 4.91763425119266 2210741 COC1=C(C=C(C=C1)CCNC(=S)N(CC=C)CC=C)OC 1 4.299 2 2 -17.9294037945139 2210740 CC1=C(C=CC=C1Cl)NC(=S)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 4.022 4 4 0 -8.13193926692332 2210730 CCCCSC1=NN1C2=NC(=NC(=C2CC)C)N 1 3.502 5 0 -10.034614575297 2210728 CCCCN1C(=NNC1=S)C2=C(C=CC(=C2)Cl)OC 1 4.078 3 1 -1.86888675015742 2210693 C1=CSC(=C1)C(=O)/C=C/NC2=C(C=C(C=C2)F)F 1 3.407 1 1 -2.63241207307363 2210688 COC1=CC(=C(C=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])OC 1 2.796 3 9 0 -23.4645378669775 2210686 C1COCCN1C(=O)COC2=CC=C(C=C2)/C=C\[N+](=O)[O-] 1 0.747 2 5 0 -1.67399949357394 2210679 CC1=C(C(=CC=C1)C)N2C(=NN=N2)S(=O)(=O)CC3=CC=CC=C3Cl 1 4.004 4 2 -13.4230161889355 2210668 C1=CC=C(C=C1)CCC(=O)NCCSCC2=C(C=CC=C2Cl)F 1 4.596 1 1 -16.5265347369187 2210662 COC(=O)C(C(=O)OC)N1C(=O)CCC1=O 1 -0.824 1 6 0 -11.0337251227559 2210658 C1=CC(=CC=C1NC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl)S(=O)(=O)N 1 5.065 3 2 -7.42147315784662 2210653 CNC1=NC(=NC(=N1)N2CCOCC2)OCCNC(=O)NC3=CC=CC=C3 1 0.823 7 3 0 -10.7018668941936 2210648 C1CCN(C1)C(=O)CN2C3=CC=CC=C3C(=O)C2=O 1 0.603 2 3 0 -2.93582891458787 2210642 C1=CSC(=C1)C(=O)/C=C/NC2=C(C=C(C=C2)Br)F 1 3.95 1 1 -1.30030611560003 2210633 CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC4=CC=CC=C4OC3=O)C 1 6.286 2 3 -6.05980389720005 2210626 C1=CC=C(C(=C1)/C=C/C(=O)NNC(=O)C2=CC=CS2)Cl 1 2.957 2 2 -5.7113038065575 2210595 CC(C)(C#CC1=CC=C(S1)C(=O)NC2CCCCC2)O 1 3.709 1 2 -10.3482662207279 2210580 CC1=NC2=C(C=C(C=C2)F)C(=C1)C(=O)NCCCOC 1 1.644 2 2 0 -7.80700779375109 2210570 CC(C)OC1=CC=C(C=C1)C(=O)NNC(=S)NCC=C 1 2.746 3 2 -13.6565438484059 2210568 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)N(CCC#N)CCC#N 1 2.461 3 2 -9.79497428393762 2210557 CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3 1 2.137 3 3 -9.60709587787201 2210554 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NNC(=O)NC4=CC=C(C=C4)F 1 2.967 5 2 0 -6.3818042543773 2210545 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C)OCC(=O)OC 1 1.615 2 6 0 -10.7540376348525 2210543 C=CCNC(=S)NC1=CC=CC(=C1)N 1 2.382 3 0 -9.49078880722435 2210538 C1OC2=C(O1)C=C(C=C2)NC(=O)NNC(=O)CC3=C(C=CC=C3Cl)F 1 2.452 3 4 0 -11.80658628682 2210536 CC1=C(OC2=CC=CC=C12)C(=O)NNC(=S)NCC3=CC=C(C=C3)Cl 1 4.748 3 2 -3.90439469327719e-003 2210533 C1=CSC(=C1)C(=O)/C=C/NC2=CC(=C(C=C2)F)F 1 3.407 1 1 -3.45539155214327 2210524 CC(C)(C(=O)NNC(=S)NCC1=CC=CO1)O 1 0.644 3 3 0 -11.4537076807921 2210516 C1OC2=C(O1)C=C(C=C2)NC(=S)NCC3=CC(=C(C=C3)Cl)Cl 1 5.192 2 2 -8.31954056759958 2210509 CN(C)C1=NC(=NC(=N1)SCC#N)N(C)C 1 0.865 6 0 0 -7.960557609318 2210504 COC1=CC=C(C=C1)CC(=O)NNC(=S)NC2=CC=C(C=C2)Br 1 4.041 3 2 -7.5727395791584 2210502 CCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2OC)Cl)OC 1 5.33 2 3 -10.8669166967027 2210492 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NNC(=N4)C5=CC=CO5 1 4.68 4 2 0.52072044010628 2210485 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)CC#N 1 3.708 3 3 -12.0025433173698 2210484 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=C(C(=CC=C3)Cl)Cl 1 2.944 4 2 -14.2219244427117 2210475 CC1CCN(CC1)C(=S)C2=CC=C(C=C2)N(C)C 1 3.998 2 0 -8.55928202155009 2210473 C1=CC=C(C=C1)OCC(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)NCC4=CC=CO4 1 4.007 4 3 0 -2.28597721983228 2210459 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CN=CC=C2 1 2.163 3 2 -12.0361924692813 2210452 COC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)F 1 5.498 2 1 -1.03901868116502 2210451 COC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)OC 1 1.395 3 5 0 -10.3866504839208 2210446 COC1=CC=C(C=C1)CCC(=O)NNC(=S)NCC2=CC=C(C=C2)F 1 3.683 3 2 -12.5120555765344 2210444 CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 1.384 3 5 0 -16.9079791390192 2210441 CC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3)C 1 4.406 2 2 -9.57805396478721 2210439 CC1=CC(=C(C=C1)OC)NC(=S)NNC(=O)C2=C(C=NN2C)Br 1 3.433 5 2 0 -8.45640538829595 2210431 COC1=CC=CC(=C1)N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)S(=O)(=O)C3=CC=CC=C3 1 3.663 2 6 0 -17.6204731648138 2210389 C1CCC(=CC1)CCNC(=S)NCC2=CC=CO2 1 3.75 2 1 -13.0806131812244 2210379 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)C 1 2.878 2 4 -9.27810742417926 2210360 CC1=CC(=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)Cl)OC(F)F 1 6.987 2 1 -3.07174999795135 2210357 C1=CSC(=C1)CNC(=S)NC2=C(C=C(C=C2)Br)Cl 1 5.248 2 0 -6.57457107840544 2210331 COCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)OC 1 1.659 2 5 0 -19.9321154714509 2210330 C=CCNC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NCC=C 1 2.091 2 2 -9.63236101307476 2210321 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)F 1 3.105 3 3 -22.9046535183888 2210311 CC1=CC=C(C=C1)SCCC(=O)NCCSCC2=CC=CO2 1 3.545 1 2 -8.92623447990997 2210290 CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.504 4 3 0 -15.2694156153008 2210271 COC1=CC=C(C=C1)NC2=NC=C(C(=N2)N3CCOCC3)F 1 1.443 4 2 0 -2.89633646416224 2210249 COC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)S(=O)(=O)C 1 1.333 3 6 0 -20.9377612435121 2210244 CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCC2=CC=C(C=C2)Cl 1 5.101 2 2 -11.3820063592948 2210231 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)CSCC3=CC=C(C=C3)F 1 2.647 5 1 -17.8054622891001 2210229 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC=NC=C2 1 2.17 3 2 -15.2193597101707 2210206 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.758 3 4 0 -14.2953302269307 2210196 CC1=NN(C(=C1Cl)C(=O)NNC(=O)NC2=CC=CC(=C2)C(F)(F)F)C 1 2.61 5 2 0 -0.542141453382015 2210190 C1=CC=C(C=C1)CS(=O)(=O)CC(=O)NCC2=CC=CC=C2Cl 1 2.67 1 3 -12.5897026103552 2210189 C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC=CC=C2Br 1 5.005 2 1 -10.6909879952291 2210184 C1CCN(CC1)CC2=CC=C(C=C2)NC(=S)NC3=C(C(=CC=C3)Cl)Cl 1 6.686 3 0 -1.98756015311979 2210126 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.399 3 5 0 -25.3334064642934 2210122 CC1CCC(CC1)NC(=O)C(=O)NCC2=CC=C(C=C2)OC 1 2.405 2 3 -14.1122843968263 2210086 CC1=C(C=CC(=C1)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 3.541 3 3 -13.1514914427021 2210049 CCOCCCNC(=O)CN1C2=CC=CC3=C2C(=CC=C3)C1=O 1 1.239 2 3 0 -13.8834680231576 2209999 CC1=C(C=C(C=C1)NC(=S)NNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)Cl 1 5.036 3 2 -7.04290722110847 2209962 COC(=O)C1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3 1 2.253 3 4 0 -15.3025033251302 2209961 CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CNC(=O)C3=CC=CC=C3F 1 3.921 4 1 -16.256322525741 2209959 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)Cl 1 4.169 2 3 -21.4170099863494 2209781 COC1=CC=CC(=C1)NC(=O)C(=O)N2CCOCC2 1 0.181 2 4 0 -10.1826927302927 2209680 CN1C(=O)/C(=C\C2=CN=C(N=C2)SC)/C(=O)NC1=O 1 0.354 4 3 0 -1.86460687044059 2209626 CCOC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CN=C(N=C3)SC)/C(=O)NC2=O 1 2.263 4 4 0 -2.78491174708669 2209621 CN(C1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)C 1 1.609 3 6 0 -14.7194045867133 2209610 CC1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2C(=O)NCCOC 1 2.571 2 3 -16.6358302474658 2209594 CC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C 1 5.555 3 2 -10.0224561684611 2209589 COC1=C(C=C(C=C1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)OC 1 4.173 3 2 -8.46534288857151 2209576 CCOC1=CC=C(C=C1)NC(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.44 3 3 -3.51244721360252 2209575 CC(=O)C1=CC=C(C=C1)NC(=O)NNC(=O)CCC2=CC=C(C=C2)OC 1 1.994 3 4 0 -13.1653569689648 2209561 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 3.403 4 3 0 -15.0979958919466 2209516 CN(C1=CC=CC=C1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 3.202 3 5 0 -13.8926540328456 2209509 C1COCCN1C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F 1 1.624 2 4 0 -10.9559537353044 2209505 CSC1=CC=C(C=C1)C(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 6.362 2 0 -4.74292526234887 2209493 CCCCC(=O)NC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)OCC 1 2.62 2 4 -15.8999084975069 2209487 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=CC=C3 1 2.428 3 4 0 -14.929157808629 2209480 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(=O)C 1 3.534 2 4 -13.343175585273 2209472 CCCCNC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.64 2 5 0 -17.889337650204 2209466 CCOC(=O)/C(=C(\N)/NC(C)C)/C(=O)C1=CC=CC=C1 1 1.859 2 3 0 -10.9516564916765 2209457 CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=NC=C2 1 1.112 3 2 0 -6.43479894651489 2209438 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC(=N3)C 1 2.827 5 4 0 -20.0509256470491 2209424 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)Cl 1 1.155 3 4 0 -24.3771268432746 2209414 C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)C4=CC(=CC=C4)Br 1 3.247 4 2 -5.83938669885157 2209393 CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCC2=CC=CO2 1 1.422 2 5 0 -17.4317287546321 2209390 CC1=CC(=C(C=C1)F)NC(=O)NC2=CC(=CC=C2)OC 1 3.198 2 2 -3.12891562754378 2209389 CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.84 3 4 0 -19.8395763048732 2209381 CN(C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4 1 2.112 3 6 0 -25.8254739096592 2209352 CC1=CC(=C(C=C1)NC(=S)NCC2=CC=C(C=C2)Cl)OC(F)F 1 6.051 2 1 -4.86947406905204 2209338 CCSC1=CC=CC=C1C(=O)NCC2=CC3=C(C=C2)OCO3 1 3.28 1 3 -13.9034583646178 2209324 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CO3 1 2.855 3 3 -23.4573659827788 2209320 C1CN(CCN1C(=O)C2=CC=CO2)C(=S)NC3=C(C=C(C=C3)Br)Cl 1 4.737 3 2 -8.39628119924058 2209318 CC1=C(C(=CC=C1)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3)C 1 3.686 4 1 -3.19774216143926 2209316 C1=CC(=C(C=C1Br)Cl)NC(=S)NN2C=NN=C2 1 3.048 5 0 -3.02746365727953 2209298 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCC3=CC=CO3 1 3.328 3 2 -13.2204135398972 2209293 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4 1 2.939 3 5 0 -23.0812922521744 2209288 C1=CC=C2C(=C1)N(C(=O)N2S(=O)(=O)C3=CC=CC4=C3N=CC=C4)S(=O)(=O)C5=CC=CC6=C5N=CC=C6 1 3.78 4 5 0 -9.76771736064806 2209252 COCC(=O)N1C(=NC(=N1)C2=CC=CC=C2)NCC3=CC=C(C=C3)F 1 2.603 4 2 -3.39477932643199 2209250 CCCCN(CCCC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)N2 1 2.467 3 3 -21.1424483280619 2209213 CC1=CC(=C(C=C1)OC)NC(=O)NNC(=O)C2CCC(CC2)C(C)(C)C 1 3.877 3 3 -12.6567680769887 2209212 COC1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 1 4.658 1 4 -6.14137727422944 2209193 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(=O)NCCOC 1 2.072 3 5 0 -16.1128371690059 2209187 CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)S(=O)(=O)C 1 3.576 2 5 0 -15.9741627803426 2209180 COC1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC 1 2.144 1 7 0 -16.4863990380829 2209171 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 3.12 2 4 -9.17578625739717 2209150 CSC1=CC=CC=C1N2C(=NN=N2)SCC3=CC=CC=C3 1 3.925 4 0 -19.24711870649 2209148 CSC1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2Br)S(=O)(=O)C 1 2.873 2 3 -19.6954747482651 2209143 CCCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N 1 1.563 2 3 0 -17.9582938704731 2209137 CC(=O)NC1=CC(=CC=C1)NC(=S)NC2=C(C(=CC=C2)Cl)Cl 1 4.816 3 1 -8.16545476529909 2209136 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NNC(=O)C3=C(C=NN3C)Cl 1 3.396 5 3 0 -11.85312266519 2209121 COC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=CC=CC=C2SC)S(=O)(=O)C 1 2.773 2 4 -17.5308970331449 2209113 CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 3.929 2 5 0 -16.2384056921221 2209112 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NNS(=O)(=O)C3=CC=C(C=C3)Br 1 2.955 6 4 0 -11.7486181241315 2209110 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.866 3 5 0 -20.9783812059077 2209102 COCCCNC(=S)NNC(=O)C1=CN=CC=C1 1 0.2 4 2 0 -15.6136866744775 2209097 CCC1=CC=C(S1)C(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.745 4 3 0 -13.0788265217145 2209095 COC(=O)COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CCCCC2)Cl 1 3.423 1 5 -14.4612509672259 2209085 C1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 5.157 3 2 4.0153924970712 2209082 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC=C2C(F)(F)F 1 3.227 1 4 -3.65386635036397 2209040 C1=COC(=C1)CNC2=NC(=NN2C(=O)C3=CC=CS3)C4=CC=C(C=C4)Cl 1 4.125 4 2 -3.05620945196958 2209018 CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)[N+](=O)[O-] 1 5.219 2 4 -5.79841168027231 2209006 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NCC2=CC=CO2 1 1.008 4 4 0 -17.1625926048762 2208998 C1=CC(=C(C=C1Cl)Cl)OCC(=O)N(CCC#N)CCC#N 1 2.365 3 2 -8.95035533647221 2208981 CC1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)OC)[N+](=O)[O-])C 1 3.465 2 4 -9.15128857590546 2208969 COCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O 1 0.361 1 5 0 -9.42251325593742 2208966 COCCNC(=O)C1=CC=CC=C1NC(=O)COC2=CC=CC=C2 1 1.527 2 4 0 -16.8782832435553 2208959 COC1=C(C=C(C=C1)NC(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3)OC 1 2.623 4 4 0 -12.9783353610378 2208941 CC(C)OCCCNC(=O)C1=CC=C(C=C1)Br 1 2.444 1 2 -11.5395259580456 2208939 CC1=C(C=CC=C1Cl)NC(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=C3 1 4.392 2 3 -11.9887835362079 2208936 C1=CC=C(C(=C1)C(=O)O)N/C=C/C(=O)C2=CC=CS2 1 2.626 1 3 -5.55678934195202 2208923 CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NCCOC3=CC=CC=C3 1 0.314 5 4 0 -21.1997515049518 2208919 CCCOC1=CC2=C(C=C1)C(=O)C(=C(O2)C)N3C(=O)C4=CC=CC=C4C3=O 1 3.071 1 5 -6.13653810478478 2208905 CN(C)C1=NC(=NC(=N1)NC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC 1 3.379 5 3 0 -6.78486835542757 2208886 CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2CCCN3CCOCC3 1 3.391 4 1 -3.00522409831288 2208882 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SC 1 2.55 1 5 -13.7431810235495 2208880 C1=CC(=CC=C1CNC(=S)NNC(=O)C2=CC=C(O2)Br)Cl 1 3.63 3 2 -8.25716534593218 2208855 C1=CC=C(C=C1)CCNC(=S)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.921 4 4 0 -14.1619186404361 2208854 CCCCN1C(=NNC1=S)CC2=CC=CC=C2 1 3.465 3 0 -6.59795444860806 2208841 CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=CC=C3 1 3.388 3 4 0 -20.8092731020789 2208833 COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C)OC 1 2.023 3 4 0 -27.8535393744652 2208831 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.044 3 6 0 -11.3920290385962 2208823 CCCCC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NCC2=CC=CO2 1 3.742 3 3 -13.693193621865 2208803 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)C4=NC5=CC=CC=C5N4 1 4.487 3 3 -2.21925787083261 2208787 C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4 1 4.22 5 3 0 -5.07676785784317 2208781 C1=CC(=CC=C1NC(=S)NNC(=O)C2=CC=C(O2)Br)S(=O)(=O)N 1 1.942 4 4 0 -13.3309140239098 2208767 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2 1 3.642 2 2 -14.7852526039697 2208763 COCCCNC(=S)NNC(=O)C1=CSC2=CC=CC=C21 1 2.213 3 2 -13.5809766981226 2208758 CSC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.569 2 4 -23.9829126362799 2208742 CC1=CC=CC=C1CSCC(=O)NC2=CC=C(C=C2)C(=O)OC 1 3.356 1 3 -13.7059813887193 2208737 COC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=CC(=C2)CN3C=CC=N3 1 2.723 4 3 0 -11.7179288791326 2208699 COC1=CC=CC=C1/C=C(/C(=O)NCC2=CC=CO2)\NC(=O)C3=CC=CC=C3 1 2.743 2 4 -20.293688608386 2208666 CCOC1=CC=CC(=C1)NC(=O)/C(=C\C2=CN=CC=C2)/C#N 1 2.103 3 2 -13.2432235722236 2208596 C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)O)[N+](=O)[O-])/C#N 1 2.574 3 4 0 -8.54593465020766 2208549 C1CCCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 3.779 2 2 -17.6301240030163 2208545 COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)OC)/C#N 1 4.085 2 6 0 -17.4087709615647 2208446 CN(C1=CC=CC=C1C(=O)NC2=CC=CC=C2SC)S(=O)(=O)C 1 2.273 2 3 -15.9945696674623 2208433 CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCCC2 1 1.323 2 4 0 -13.2192636669261 2208425 CC(=O)C1=CC(=CC=C1)NC(=S)NCCCCC2=CC=CC=C2 1 5.069 2 1 -13.2153016075271 2208392 CC(=O)N(C)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC 1 3.676 3 2 -8.23086453568719 2208380 COC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3=CC=NC=C3)OC 1 2.823 4 2 -6.18629946366929 2208379 CC1=CC(=C(C=C1)OC(F)F)NC(=O)NC2=C(C=C(C=C2)OC)OC 1 3.781 2 4 -8.04266330443576 2208361 C1=CC=NC(=C1)CNC(=S)NC2=C(C=C(C=C2)Br)Cl 1 4.573 3 0 -5.93107282967606 2208356 CC1=CC2=C(C=C1)N(C(=O)N2S(=O)(=O)C3=CC=CS3)S(=O)(=O)C4=CSC=C4 1 3.342 2 5 0 -10.3732764225324 2208352 C1=CC=C(C=C1)CCNC(=S)NNC(=O)CCC2=CC(=C(C=C2)O)O 1 3.331 3 3 -8.44348530034165 2208349 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=CC=C3 1 3.778 2 4 -14.0451669572853 2208345 COCCCNC(=S)NNC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O 1 2.28 3 3 -18.3756403308776 2208344 COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3 1 2.272 3 4 0 -10.499099463485 2208343 CC1=C(C(=CC=C1)N/C=C/C(=O)C2=CC=CS2)C 1 3.968 1 1 -2.03850369837091 2208338 C=CCNC(=S)NNC(=O)COC1=CC2=C(C=C1)C=C(C=C2)Br 1 3.528 3 2 -11.0162185468638 2208336 COCCCNC(=S)NNC(=S)NC1=C(C=C(C=C1)F)F 1 3.165 4 1 -9.866274304903 2208333 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C 1 4.288 3 4 0 -13.045569886284 2208314 CCOC(=O)C1=CC=CC=C1N/C=C/C(=O)C2=CC=CS2 1 3.2 1 3 -9.60852229379574 2208300 CCCNC(=O)C1=CC=CC=C1NC(=O)CSCC2=CC=C(C=C2)OC 1 3.079 2 3 -19.818752198251 2208299 C1=CC=C(C(=C1)NC(=O)CCC(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)Cl 1 1.979 5 4 0 -16.4160949915212 2208264 CN(C)C1=CC=C(C=C1)/C=C(\C(=O)N2CCCC2)/NC(=O)C3=CC=CC=C3 1 2.824 3 2 -20.6488188929261 2208261 CN1CCN(CC1)C(=O)/C(=C/C2=CC=CC=C2Cl)/NC(=O)C3=CC=CC=C3 1 2.822 3 2 -13.2938350733936 2208252 CCCCOC1=CC=C(C=C1)C2=NC(=NO2)C3=CN=CC=C3 1 3.306 3 2 3.04327682818965 2208199 C1CCN(C1)C(=O)/C(=C\C2=CC=C(C=C2)Cl)/NC(=O)C3=CC=CC=C3 1 3.326 2 2 -16.1655338237267 2208187 C1CCN(C1)C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 2.556 3 4 0 -20.4359772380217 2208169 CC1=CC(=CC=C1)NC(=O)/C(=C\C2=CN=CC=C2)/C#N 1 2.257 3 1 -10.2002145347656 2208140 COC1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CO4 1 3.526 4 3 0 -4.02366900469225 2208133 CC1=NC(=NN1)SCC(=O)NC2=NC3=CC=CC=C3S2 1 2.175 5 1 -6.80233088408205 2208130 COC1=C(C=C(C=C1)N(CC(=O)NC2=CC=CC=C2SC)S(=O)(=O)C)OC 1 2.092 2 5 0 -21.3946538696336 2208116 CSC1=CC=CC=C1NC(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C 1 3.856 2 3 -18.2929163379167 2208098 COCCNC(=S)NNC(=O)CSCC1=C(C=C(C=C1)Cl)Cl 1 3.018 3 2 -16.5126434122695 2208092 CC1=C(C2=NC(=C(C(=O)N2N1)CC3=CC=CC=C3)C)C4=CC=C(C=C4)OC 1 3.225 3 2 -7.62367938228992 2208087 COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=CS3)C4=CC=CC=C4 1 4.262 4 2 -4.49429076682789 2208079 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=C5 1 3.725 4 3 0 -7.92146939487075 2208076 C=CCNC(=S)NN(C1=CC=CC=C1)C2=CC=CC=C2 1 4.584 3 0 -11.1553685544101 2208072 COCCNC(=S)NNC(=O)C1=CC=CO1 1 0.684 3 3 0 -13.109758623815 2208067 CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)NCC4=CC=CO4 1 4.361 4 3 0 -3.49190451942741 2208065 CC1=C(C=CO1)C(=O)NNC(=S)NCCCOC 1 0.6 3 3 0 -13.7349697792608 2208056 C1=CC(=CC=C1CNC(=S)NCC2=CC=C(C=C2)Cl)S(=O)(=O)N 1 3.194 3 2 -8.95708903267091 2208051 COC1=CC(=C(C=C1)NC(=O)NNS(=O)(=O)C2=CC(=C(C=C2)OC)OC)OC 1 1.417 3 7 0 -17.7973397604508 2208046 CC1=CC=CC=C1CNC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=CC=C3 1 3.801 2 3 -16.4692858946323 2208041 CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C 1 3.765 3 4 0 -14.8808258164219 2207997 CC(C)CNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3)Cl 1 2.985 2 6 0 -16.021631897683 2207993 CC(C)(C)OC(=O)NNC(=S)NC1CCCCC1 1 3.188 3 2 -11.8000744513866 2207970 COC1=CC=CC(=C1)C2=NC(=C(C=C2)C3=NOC(=N3)C4=CC=CC=C4F)OC 1 4.653 3 3 5.7871502268262 2207969 C1=COC(=C1)CNC2=NC(=NN2C(=O)C3=CC=CO3)C4=CC=C(C=C4)Cl 1 3.567 4 3 0 -1.20104387205865 2207963 CC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)Br 1 4.2 4 2 -12.0762007751911 2207962 COC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 4.837 2 5 0 -11.8451952021626 2207959 COC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)F)OC 1 4.761 3 2 -7.6771854558906 2207942 C1COCCN1CCCNC(=S)NNC(=O)C2=CC=NC=C2 1 0.158 5 2 0 -13.1887997745831 2207927 CC(=O)C1=CC=C(C=C1)NC(=O)NNS(=O)(=O)C2=CC=C(C=C2)F 1 1.428 3 4 0 -10.0144223014707 2207896 COC(=O)/C(=C/NC1=CC=CC=C1)/[N+](=O)[O-] 1 1.236 2 4 0 -2.01954096363914 2207895 CN1C=C(C2=CC=CC=C21)/C=C(/C(=O)OC)\[N+](=O)[O-] 1 2.394 2 4 0.571069524264947 2207883 CC1=C(C=C(C=C1)NC(=O)OCC(C(F)F)(F)F)NC(=O)OCC(C(F)F)(F)F 1 3.852 2 4 -7.52188011569725 2207880 CCCOC(=O)C(=C(N)NCC1=CC=CC=C1)C(=O)OCCC 1 2.564 2 4 -6.11586151074753 2207833 CCOC(=O)C(CC1=C(C=CC=C1F)F)(C(=O)OCC)NC(=O)C 1 2.113 1 5 -7.64122309243801 2207819 C1COCCN1/C=C/2\C=C(OC2=O)C3=CC=CC=C3 1 1.26 1 3 0 -4.08495992711187 2207818 C1COCCN1/C=C\2/C=C(OC2=O)C3=CC=CC=C3 1 1.26 1 3 0 -4.08495992711187 2207802 CCCCCC1=NN=C(S1)NC(=O)OCCCCC 1 4.148 3 2 -11.0864083894658 2207793 CCCCCC(=O)NC1=NN=C(S1)CCC2=CC=CC=C2 1 3.875 3 1 -15.6753666163071 2207773 C1=CC(=CC=C1CC(=O)NNC(=O)NC2=CC(=C(C=C2)F)Cl)[N+](=O)[O-] 1 2.578 4 4 0 -6.78313507213094 2207757 C1OC2=C(O1)C=C(C=C2)C(=O)N(CCC#N)CCC#N 1 0.969 3 3 0 -11.4239372465565 2207747 C1=CC=C(C=C1)CCC(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.147 3 3 -14.2162394485688 2207742 CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC(=CC(=N2)C)C)C 1 3.931 4 2 -14.3812749439752 2207727 CCOC1=C(C=CC(=N1)C2=CC=C(C=C2)C)C3=NOC(=N3)C4=CN=CC=C4 1 4.148 4 2 1.40621543035192 2207723 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CS3 1 3.411 4 3 0 -11.0799168009425 2207717 CCC1=CC=CC=C1NC(=S)NNC(=O)C2=CC=CC=C2Cl 1 4.881 3 1 -8.90098249189004 2207714 CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NCC(C)C 1 5.717 4 1 -10.0367052603597 2207707 C1=CC=C(C=C1)CN2C=NC(=C3C2=NC(=N3)SCCOC4=CC=CC=C4)N 1 4.042 5 1 -9.12333300404605 2207694 CCCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3 1 3.082 2 4 -13.4333671887488 2207690 CN(C)C1=CC=CC(=C1)C(=O)NNC(=O)NC2CCCCC2 1 2.223 4 2 -13.0097121005885 2207604 CC1=CC(=CC(=C1)OCC(=O)NC2=NON=C2NC(=O)COC3=CC(=CC(=C3)C)C)C 1 3.897 4 5 0 -7.14723599544172 2207629 C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 3.726 3 2 -6.36262555114748 2207660 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3 1 2.479 4 4 0 -3.84801511103002 2207638 C1=CC=C(C=C1)N2C=NC(=C(C2=O)Cl)NCCO 1 0.998 3 2 0 -1.24788975875241 2207602 CC(=O)C1=CC(=CC=C1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3 1 5.445 2 1 -10.1592443016366 2207597 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)C3=CC=C(C=C3)N4CCCC4 1 5.151 1 4 -7.69443226343393 2207583 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4 1 5.433 2 3 -12.9466821256054 2207571 CCOC1=CC=CC=C1NC(=S)NNS(=O)(=O)C2=C(C=C(C=C2C)C)C 1 4.768 3 3 -9.33699333363728 2207565 CCOC1=C(C=CC(=C1)C(=S)N2CCN(CC2)C)OCC(=O)N3CCCC3 1 2.667 3 3 -13.1190214064043 2207559 COCCNC(=O)NC1=CC=C(C=C1)F 1 1.02 2 2 0 -8.72772980512277 2207552 CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC)C3=CC4=C(O3)C=CC(=C4)Br)C 1 6.165 4 2 -9.49025704526536 2207551 CC1=CC(=CC=C1)CN2C=NC(=N2)NC(=O)NC3=CC=C(C=C3)C(=O)C 1 2.819 5 2 0 -9.41228069690948 2207530 C1CCC(C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.385 3 2 -23.1317377562901 2207529 CCNC(=S)NNC(=O)NC1=CC=CC=C1 1 1.676 4 1 0 -8.19960862010001 2207528 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 2.19 3 4 0 -14.5926244308943 2207524 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3 1 5.12 2 3 -9.30090415085007 2207479 C1=COC(=C1)C(=O)NNC(=S)NC2=C(C=C(C=C2)Br)Cl 1 4.082 3 2 -3.16564580123724 2207481 CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2CCC3=CC(=C(C=C3)OC)OC 1 5.374 3 2 -2.95097188911562 2207518 COC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CO3)OC 1 3.738 3 3 -11.1426598870008 2207510 CCCCC(=O)NC1=CC=C(C=C1)C(=O)N(CC)C2=CC=CC=C2C 1 4.355 2 2 -17.3788486946149 2207507 CC(C)OCCCNC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C 1 0.812 2 4 0 -17.8407962821486 2207442 CCN(CC)C(=O)COC1=C(C=C(C=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2)OC 1 2.914 2 5 0 -19.7182968102844 2207440 CCOC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)Br)Cl 1 6.111 2 1 -2.76603662438474 2207429 CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=O)NC2=C(C=C(C=C2)OC)OC 1 3.219 3 5 0 -11.8404382117685 2207423 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 2.326 3 5 0 -17.7622340466481 2207412 C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O 1 1.843 1 6 0 -6.90650655209108 2207406 CSC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 3.613 3 2 -15.4787026067919 2207392 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=C(C=C(C=C3)F)F 1 2.511 3 3 -16.9776022785866 2207364 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=CC=C3C(F)(F)F 1 5.359 3 1 -10.2386605173886 2207359 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 2.861 3 3 -5.70214882234945 2207339 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 2.097 3 5 0 -13.9768998858417 2207331 CCCCCC1=NN=C(S1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 2.769 3 3 -14.9283640567645 2207299 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.649 4 4 0 -20.6355996237841 2207293 C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 1.589 3 4 0 -6.19525698249796 2207291 C1COC2=C(O1)C=CC(=C2)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.203 3 5 0 -8.92604996096929 2207276 C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NNC(=O)CC#N 1 2.611 4 1 -12.1197937955158 2207252 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)COC 1 1.785 4 3 0 -18.4064488436213 2207251 COC1=CC=C(C=C1)NC(=O)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl 1 1.763 4 4 0 -10.2207530275498 2207240 CC(C)OCCCNC(=O)CCSC1=CC=C(C=C1)Cl 1 3.002 1 2 -12.9773821247769 2207232 CC(=O)C1=CC=C(C=C1)NC(=O)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.117 4 6 0 -12.8206971142932 2207221 COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.284 3 5 0 -13.0227246198042 2207213 COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)OC 1 3.291 3 4 0 -17.4641278649473 2207202 CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl 1 2.823 5 2 0 -5.48932359653698 2207197 COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.495 1 7 0 -7.9297432387084 2207181 COC1=C(C=C(C=C1)NC(=O)NCC2=CC=CC=C2F)OC 1 2.702 2 3 -11.2601439190525 2207176 CN(C)CCCNC(=S)NCC1=CC=C(C=C1)Cl 1 3.106 3 0 -6.56165391907544 2207174 COCCNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)OC)Cl 1 0.965 1 6 0 -15.2272214635163 2207165 CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)COC 1 1.55 3 4 0 -13.8730114934367 2207151 COC1=C(C=C(C=C1)Cl)NC(=O)N2CCN(CC2)S(=O)(=O)C 1 0.807 3 4 0 -17.0503618395634 2207130 CN(C1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4 1 3.083 2 5 0 -15.8156505709082 2207110 CCOC1=CC=CC=C1NC(=O)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.709 4 6 0 -14.5582189048609 2207101 CN(C)CCNC(=S)NC1CCCCC1 1 2.654 3 0 -7.897656705199 2207086 CCCCCC1=NN=C(S1)NC(=O)CC2=CC=CS2 1 3.373 3 1 -15.1725462462545 2207067 CC1=C(C=CC(=C1)F)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC=NC=C3)C(=O)C4=CC=NC=C4 1 3.794 3 5 0 -9.71980609312611 2207027 CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC=CC=C2Br 1 4.508 3 1 -4.90817052415353 2207017 C1=CC=C2C(=C1)C=CC=C2CN3C=CC(=N3)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)N 1 4.28 5 2 0 -14.2223534341613 2207011 CC1=NN(C(=C1Br)C(=O)NNC(=S)NC2CCCCC2)C 1 3.25 5 1 -9.21625177510823 2207008 CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 6.266 2 2 -5.3260988158245 2207000 CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CNC(=O)CC3=CC=C(C=C3)OC 1 3.839 4 3 0 -17.9987035583954 2206997 CC1=NN=C(S1)SCC(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)Br 1 3.632 5 1 -22.313823091017 2206983 CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2 1 2.46 4 3 0 -9.80701281660865 2206977 CC1=CC(=C(C=C1)NC(=O)NC2=CC(=C(C=C2)OC)OC)OC(F)F 1 3.781 2 4 -9.31518653125378 2206972 CCC1=C(SC=C1C(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C 1 3.254 6 3 0 -14.4175639129824 2206964 C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=S)NCC3=CC=C(C=C3)Cl 1 3.435 3 3 -9.12834908466234 2206953 CCOC(=O)CNC(=O)NC1=C(C(=CC=C1)Cl)C 1 2.152 2 3 -9.25348898585752 2206926 COC1=CC=C(C=C1)NC(=O)NNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.214 3 4 0 -7.05924405979806 2206923 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.674 5 3 0 -5.7420474877787 2206908 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CC(=O)OCC 1 2.979 3 4 0 -17.8491848259902 2206893 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)Br 1 2.151 2 5 0 -12.0868436377843 2206891 CC1=NN(C=C1CNC(=O)NC2=C(C=C(C=C2)Br)Cl)C 1 2.875 4 1 -3.55854691860665 2206890 CCOC(=O)C1=CC=C(C=C1)NC(=O)NNS(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 1.654 3 7 0 -12.4272589272468 2206880 CC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)C 1 1.631 3 6 0 -25.4719074657203 2206868 C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)C4=CC=CO4 1 2.902 4 3 0 -3.59495320548545 2206862 COC1=CC(=C(C=C1NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC)OC)Cl 1 6.479 2 4 -22.9268252288921 2206843 C1=CC(=C(C=C1CCC(=O)NNC(=S)NC2=C(C=C(C=C2)Br)Cl)O)O 1 4.694 3 3 -1.49688792777267 2206824 COC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2OC)OC)Cl)OC 1 3.121 2 5 0 -12.14511209691 2206820 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.321 4 5 0 -27.3518046855598 2206815 CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)OC 1 2.798 2 6 0 -18.8670385267457 2206813 CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=O)NC2=CC=CC(=C2)C(=O)C)C 1 1.828 4 4 0 -12.6844592013517 2206803 CCCCCC1=NN=C(S1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 3.314 4 3 0 -14.4784997715861 2206793 C1CC(=O)N(C1)CCCNC(=S)NC2=C(C=C(C=C2)Br)Cl 1 3.641 3 1 -19.2464351119835 2206788 C1CCC(CC1)NC(=S)N2CCN(CC2)C3=NC=CC=N3 1 2.803 5 0 -7.13917850765474 2206758 COC1=C(C=C(C=C1)CCNC(=O)C(=O)NCC2=CC=CS2)OC 1 1.923 2 4 0 -16.4438613435059 2206720 CCOC(=O)CCC(=O)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2 1 1.411 3 5 0 -20.0135477695074 2206719 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=CO3 1 2.464 4 4 0 -11.9531492786963 2206707 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3 1 3.468 4 3 0 -3.79540016746528 2206703 CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl 1 4.738 2 3 -11.254651668261 2206702 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 4.036 3 4 0 -9.6013377740442 2206685 C1CCC(CC1)NC(=O)CN2C3=CC=CC=C3C(=O)C2=O 1 1.794 2 3 0 -3.94202018587511 2206682 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(C=C3)F)F 1 3.879 3 2 -11.1419287790586 2206672 COC1=CC(=C(C=C1)NC(=O)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4)OC 1 2.973 4 4 0 -16.3922805459451 2206663 CC1=CC(=NN1C)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.336 7 2 0 -20.5465823589069 2206660 COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3)OC 1 5.024 3 2 -8.87590424484149 2206644 CCC(C)(C)C(=O)NCC1=CC=CC=C1Cl 1 3.624 1 1 -8.1807627676075 2206620 CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5 1 4.211 4 3 0 -7.25497688428312 2206619 C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)Cl)Cl 1 5.57 3 1 -7.56124671528252 2206614 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CCCCC3 1 3.619 3 3 -24.6110495050675 2206613 C1CC1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 3.347 3 3 -10.5193797543515 2206591 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4 1 3.696 2 5 0 -19.1759251421262 2206587 C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)F)C(=O)C4=CC=CS4 1 4.484 4 1 -3.3694475322185 2206575 C1CN(CCN1C2=NC(=CS2)C3=CC=CC=C3)C(=S)NC(=O)C4=CC(=CN=C4)Br 1 3.998 5 1 -6.44144581836497 2206571 C1=CC=C(C=C1)NC2=CC=C(C=C2)N/C=C/C(=O)C3=CC=CS3 1 4.546 2 1 -3.15269250341195 2206561 CCOC1=CC=C(C=C1)NC(=O)NNC(=O)C2CCC(CC2)C(C)(C)C 1 3.74 3 3 -10.3124819327248 2206560 C1COCCN1C(=S)C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3Cl)Cl 1 4.304 2 3 -11.9674076915737 2206554 CN(C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C)S(=O)(=O)C 1 0.848 3 5 0 -11.2003396529413 2206549 CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OCC(=O)NCC3=CC=CC=C3 1 4.544 2 3 -19.6700678062805 2206548 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCO3 1 1.55 3 5 0 -11.4402101831017 2206515 C1=CC=C(C(=C1)C(=O)NCCNC(=O)C2=CC=CO2)Cl 1 1.954 2 3 0 -8.96926093467437 2206472 COC1=CC(=C(C=C1)OC)NC(=O)NNC(=O)COC2=C(C=C(C=C2)F)F 1 1.993 3 5 0 -10.7067044524307 2206471 CC1=C(C(=C(C=C1)C(=O)NCC2=CC=CC=C2)F)F 1 3.518 1 1 -7.86197761847439 2206456 C1CCC(C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.492 3 2 -21.5158521841311 2206454 CCN1C(=C(C=N1)CN2CCN(CC2)C(=O)NC3=CC=CC=C3C(=O)OC)C 1 1.692 5 3 0 -9.92924913853882 2206450 CCN1CCN(CC1)C(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=C(C=C3)C 1 2.729 3 3 -12.3079686219018 2206443 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)OC 1 2.804 1 6 0 -11.393120159698 2206437 CC1=C(C(=NN1C)C)NC(=O)NC2=CC=CC(=C2)C(=O)C 1 1.34 4 2 0 -5.21375048466755 2206432 C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=CC=C3C(F)(F)F 1 3.742 5 0 -6.27114187541276 2206419 CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3=NC4=C(S3)C=C(C=C4)OC 1 0.868 6 4 0 -14.1537440725169 2206416 CC1=C(C=CC=C1Cl)NC(=O)NC2=CN=CC=C2 1 2.522 3 1 -2.74142146457118 2206409 CC1=CC=C(C=C1)OCCSC2=NN2C3=NC(=NC(=C3)C)N 1 3.349 5 1 -5.67732675309126 2206404 CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)NC(=O)C 1 1.383 3 3 0 -8.7731275812229 2206392 CCOCC(=O)NC1=NC2=C(S1)C=C(C=C2)OCC 1 1.993 2 3 0 -6.78744644638639 2206391 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC=CC(=C3)C(F)(F)F 1 6.562 3 0 -0.627218385733825 2206385 CCOC(=O)C1=CC(=CC=C1)NC(=O)NC2=C(C=CC(=C2)OC)OC 1 2.694 2 5 0 -11.2718060241768 2206381 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)CCC3=CC=CC=C3 1 2.207 2 3 -16.4586432196863 2206372 CCCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C 1 2.268 3 4 0 -20.0595939126514 2206334 CC1=C(C(=NN1C)C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.674 7 2 0 -11.5298606157317 2206308 C=CCNC(=S)NNC(=O)C1=C(C=CC(=C1)O)O 1 1.552 3 3 0 -7.11577263310132 2206296 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)C)C 1 5.116 3 2 -5.90931318112444 2206292 CCOC1=CC=C(C=C1)CC(=O)NNC(=S)NC2=CC(=C(C=C2)OC)OC 1 3.608 3 4 0 -13.9633774767497 2206274 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2C=C(C=N2)C 1 4.666 3 4 0 -14.3888783811273 2206273 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3NC(=O)C4=CC=CO4 1 3.053 3 3 -6.7769647298871 2206244 COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)Cl 1 4.652 1 3 -4.82810542505583 2206236 CC1=CC(=NN1C)CNC(=S)NC2=C(C=C(C=C2)Br)Cl 1 4.519 4 0 -10.1067238477976 2206192 COCCCNC(=O)NC1=C(C=C(C=C1)F)F 1 1.288 2 2 0 -10.8903901932129 2206190 CCN(CC)C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C(F)(F)F 1 4.325 3 1 -9.11938001847016 2206159 CCCNC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.365 2 5 0 -18.618449286421 2206143 COCCNC(=O)C1=CC=CC=C1NC(=O)CCSC2=CC=CC=C2 1 2.333 2 3 -17.5274524384324 2206101 COC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C 1 2.509 2 4 -12.1482459069265 2206100 COC1=CC=CC=C1CC(=O)N(CCC#N)CCC#N 1 1.22 3 2 0 -11.5484526485423 2206082 CC1=C(C=CC(=C1)OC(F)F)NC(=S)NC2=CC=C(C=C2)C(=O)C 1 5.398 2 2 -10.2838394029181 2206071 CC(C)(C)OC(=O)NNC(=S)NCC1=CC=C(C=C1)Cl 1 3.577 3 2 -9.43492477197039 2206068 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C 1 2.26 3 4 0 -27.4076162963444 2206055 C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)F 1 6.139 2 1 -3.43326026283896 2206049 CCC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C 1 4.21 2 2 -12.8711556070148 2206036 CC1=CC(=CC(=C1)N(CC(=O)NC2=CC=CC=C2SC)S(=O)(=O)C)C 1 3.097 2 3 -18.1385967278033 2206016 C1COCCN1C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Br 1 2.167 2 4 -11.3024918152842 2205970 CSC1=CC=CC=C1NC(=O)CSCC2=CC=CC=C2Br 1 4.305 1 1 -13.2655455829574 2205933 CC1=NN(C(=C1Br)C(=O)NNC(=S)NCCC2=CC(=C(C=C2)OC)OC)C 1 3.264 5 3 0 -13.6203212914734 2205909 COC1=CC=CC=C1N2C(=O)/C(=C/C3=CN(N=C3)C4=CC=CC=C4)/C(=O)NC2=O 1 2.857 4 4 0 -0.755380309406127 2205900 CCCCN1C(=O)/C(=C\C2=CN=C(N=C2)SC)/C(=O)NC1=O 1 1.683 4 3 0 -4.74003802768757 2205831 C1CCN(CC1)C(=O)C(=O)NC2=CC=CC=N2 1 0.816 3 2 0 -7.61624026621841 2205794 CCCCOC(=O)C1=CC(=O)NC2=C1C=C(C=C2)C 1 2.882 1 3 -9.88221007870228 2205777 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3Br 1 4.288 2 1 3.13947502088349 2205614 COC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C 1 1.422 2 6 0 -15.5335399261162 2205610 CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3 1 3.69 4 3 0 -3.15158920523425 2205601 CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC=C(C=C3)N4CCCC4 1 5.607 1 4 -4.29387145880751 2205595 C1OC2=C(O1)C=C(C=C2)NC(=O)NNC(=O)CC3=CC=CC=C3[N+](=O)[O-] 1 1.477 4 6 0 -14.2922592541727 2205590 COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.256 3 5 0 -23.4382175885022 2205589 CC1=C(C(=CC=C1)NC(=S)NNC(=O)COC)C 1 2.318 3 2 -7.51094842213951 2205583 CCOC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)O 1 1.603 5 5 0 -11.570451714451 2205581 CC1=CC(=NC(=N1)NC(=O)NC2=CC=CC(=C2)C(=O)C)C 1 1.57 4 2 0 -8.06772074536499 2205574 CC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)OC 1 2.389 2 7 0 -11.3371681899835 2205572 CN1C(=NC(=N1)[N+](=O)[O-])SC2=NN=C(O2)C3=CC=CC=C3OC 1 2.695 6 4 0 -6.8123426820705 2205532 CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)CC3=CC=CC=C3 1 3.282 2 3 -4.38974949890967 2205525 C1CC(CCC1C2=CC=CC=C2)NCCNC(=O)C3=CC=C(C=C3)F 1 3.988 2 1 -2.80919378025869 2205519 CC1=CC(=CC=C1)CSCCNC(=O)CCC2=CC=CC=C2 1 4.212 1 1 -13.7173000544953 2205509 CCCCN1C(=NNC1=S)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.325 4 2 -5.55719528553492 2205507 CC1=C(OC2=CC=CC=C12)C(=O)NNC(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 3.06 4 4 0 -5.07765307267092 2205503 CC1=CC=C(C=C1)SCCC(=O)NCCSCC2=CC=CC=C2C 1 4.849 1 1 -12.4498098344668 2205484 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)C3=CC=C(C=C3)F 1 3.907 2 3 -12.4448875088094 2205482 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2=CC=CC=C2F 1 0.923 3 4 0 -16.5507701582948 2205478 C1CN(CCC1NC(=S)NCC2=CC=C(C=C2)Cl)CC3=CC=CC=C3 1 4.6 3 0 -2.85581692180776 2205462 COC1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)OC(F)F)OC 1 5.139 2 3 -4.89372127958356 2205446 CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C 1 3.187 5 2 0 -22.1124289082869 2205443 COCCCNC(=S)NNC(=O)C1=CC=CC=C1Br 1 2.099 3 2 -14.0944846450053 2205442 C1CN(CCC1NC(=S)NC2=C(C=C(C=C2)Br)Cl)CC3=CC=CC=C3 1 5.619 3 0 4.64380648454311e-002 2205427 CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CSCC3=CC=C(C=C3)F 1 3.28 4 3 0 -17.8166487336084 2205425 CC1=C(C=CC=C1NC(=O)CCSC2=CC=C(C=C2)Cl)C(=O)OC 1 4.262 1 3 -6.31608537253203 2205420 COCCNC(=O)C1=CC=CC=C1NC(=O)CC2=CC=CC=C2 1 1.726 2 3 0 -17.5110166832321 2205391 COC1=CC(=C(C=C1NC(=S)NC2=C(C(=CC=C2)Cl)Cl)OC)Cl 1 6.327 2 2 -9.14003436273508 2205372 CC1=CC(=C(C=C1)OC)NC(=O)NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.072 4 5 0 -13.9955942025776 2205362 CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NNS(=O)(=O)C3=CC=C(C=C3)Br 1 5.555 3 4 0 -20.3211545636833 2205361 CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=C(C(=NN2C)C)Br)C(=O)OC 1 3.521 5 5 0 -18.2096642928212 2205358 COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)OC 1 3.614 5 4 0 -19.2532361567538 2205340 C1=CC=C(C(=C1)C(=O)N)N/C=C/C(=O)C2=CC=CS2 1 1.998 2 2 0 -5.40224012042247 2205338 CC1=C(NC(=NC1=O)SCC(=O)NNC(=O)C2=CC=CS2)C 1 1.261 4 3 0 -19.9816722841615 2205336 COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 2.26 2 6 0 -10.7580648539903 2205326 CCCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 1 5.113 2 4 -11.3736096995882 2205317 CC1=CC(=CC=C1)OCCSC2=NC3=C(N=CN(C3=N2)CC4=CC=CC=C4)N 1 4.529 5 1 -7.34761896741499 2205312 C1=CC=C(C=C1)CCNC(=S)NNC(=O)C2=CC=C(S2)Br 1 3.845 3 1 -9.73399509577547 2205305 CC(C)CCNC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 3.131 2 5 0 -27.8612883208897 2205301 COC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3=CC=C(C=C3)Cl)OC 1 4.638 3 2 -3.70710734764011 2205293 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC3=CC=C(C=C3)C4=CC5=CC=CC=C5OC4=O 1 5.106 1 3 -1.30147099256579 2205284 C1CC(=O)N(C1)CCCNC(=S)NC2=CC=CC3=CC=CC=C32 1 3.136 3 1 -22.4000052320047 2205262 CCCCC(=O)NC1=CC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.347 3 4 0 -19.64083373303 2205195 CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.019 2 6 0 -15.7357897160094 2205199 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CS4 1 3.12 2 4 -9.24044485053938 2205200 C1=CC=C(C=C1)CCC(=O)NCCSC2=CC=CC=C2 1 3.719 1 1 -12.4443831653072 2205202 C1CC(=O)N(C1)CCCNC(=O)NC2=CC(=C(C=C2)F)Cl 1 1.532 3 2 0 -18.3060051802346 2205236 COCCCNC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2 1 1.119 3 4 0 -15.9277645228475 2205225 CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3 1 4.82 2 2 -15.503454713775 2205207 CCCCNC(=O)C1=CC=CC=C1NC(=O)CCSC2=CC=CC=C2 1 3.793 2 2 -16.8120261350627 2205176 CC1=C(C=C(C=C1)N/C=C/C(=O)C2=CC=CS2)C 1 3.968 1 1 -4.53914555566133 2205148 C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)CSCC3=C(C=C(C=C3)Cl)Cl 1 5.02 4 3 0 -21.0928682059602 2205134 C1CCC(C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 5.167 3 0 -0.593816313220393 2205117 COC1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)NCC4=CC=CO4 1 4.19 4 3 0 -1.62975967126545 2205116 CC1=CC(=C(C=C1)OCC(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)C 1 2.557 3 4 0 -10.2253175270362 2205110 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C 1 1.931 3 7 0 -19.6218480992929 2205108 CCCCOC1=CC=CC(=C1)C(=O)NNC(=S)NC2CCCCC2 1 4.59 3 2 -11.9173280714911 2205102 CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC(F)(F)F 1 6.819 2 2 -1.94103280361894 2205097 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)OC(F)F)Cl 1 3.76 2 4 -4.12247921368444 2205070 C1=CC(=C(C=C1Br)Cl)NC(=S)NNC(=O)C2=CC=NC=C2 1 3.536 4 1 -3.86751870250089 2205068 CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N(C)CC2=CC=CC=C2 1 2.446 2 4 -14.8166225667598 2205046 COC1=CC(=C(C=C1)OC)S(=O)(=O)NNC(=S)NC2=CC3=C(C=C2)OCO3 1 2.712 3 6 0 -12.4586059748378 2205039 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CO3 1 2.853 4 4 0 -10.0889164765631 2205012 CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=C(C=C3)C 1 3.875 3 4 0 -19.7448504658304 2204992 CN(C)C1=CC=C(C=C1)C2=NC(=O)C3=CC=CC=C3N2 1 2.655 3 1 -6.42004977039731 2204979 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NNC(=N2)C3=CC=CO3 1 3.231 4 4 0 -13.9466469523611 2204966 COC1=C(C=CC(=C1)C(=S)N2CCCCC2)OCC(=O)NC3=CC=CC=C3Cl 1 4.852 2 3 -14.2265348837362 2204965 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC=NN2 1 1.932 4 3 0 -21.6430989419828 2204959 C1=CC=C(C=C1)CSCC(=O)NNC(=S)NC2=C(C(=CC=C2)Cl)Cl 1 5.003 3 1 -11.5967373568707 2204953 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC 1 1.957 2 5 0 -9.60584980517446 2204949 CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)OC)C 1 5.46 3 3 -18.3382848917767 2204948 CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=O)NC2=CC(=C(C=C2)OC)OC 1 2.732 3 5 0 -8.51362779295598 2204939 CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 5.635 4 1 -12.2159983690209 2204919 C1=CC=C(C(=C1)CSCC(=O)NNC(=S)NCC2=CC=CO2)Br 1 3.333 3 2 -15.1168306090252 2204911 CCCCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C 1 3.586 2 3 -10.8037113357312 2204910 C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC(=CC=C3)O 1 3.966 2 1 1.41395327828194 2204903 CC1=C(C(=CC=C1)OCC(=O)NNC(=S)NC)C 1 2.227 3 2 -9.05730001650528 2204902 CCCNC(=O)C1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)OC 1 2.514 2 4 -15.4296143613716 2204898 C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)C4=CC=CS4 1 3.461 4 2 -5.45011878539638 2204887 CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C 1 3.509 5 2 0 -21.5208753964212 2204856 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3NC(=O)CC4=CC=CC=C4 1 3.692 3 2 -9.33972722095514 2204833 COCCCNC(=S)NNC(=O)C1=CC(=C(C(=C1)Cl)O)Cl 1 2.438 3 3 -10.8680134067938 2204815 CCN(CC)C1=NC(=NC(=N1)NC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC 1 4.077 5 3 0 -6.90573203310011 2204785 C1CCC(CC1)NC(=S)NNC(=O)CSCC2=C(C=CC=C2Cl)F 1 4.548 3 1 -16.8409247593654 2204777 CCC1=C(SC=C1C(=O)NNC(=S)NCCC2=CC=CC=C2)C 1 4.074 3 1 -11.2005802838593 2204769 CC(C)(C)OC(=O)NNC(=S)NC1=CC(=C(C=C1)OC)OC 1 3.151 3 4 0 -14.097353216506 2204766 CC1=CC(=CC(=C1)OCC(=O)NNC(=O)CCC(=O)NCC2=CC=CC=C2)C 1 2.022 3 4 0 -16.7866101858919 2204762 COC1=CC=CC=C1C(=O)NCCNC(=O)C2=CC=CO2 1 1.273 2 4 0 -10.4904932015473 2204748 C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl 1 4.216 4 2 -10.4625555704522 2204743 CCNC(=O)C(=O)NCCC1=CC=C(C=C1)Cl 1 1.645 2 2 0 -7.17811168825452 2204733 CC(=O)C1=CC(=CC=C1)NC(=S)NNC(=O)CCC2=CC=C(C=C2)OC 1 3.488 3 3 -12.9595505005649 2204732 C1CCN(C1)C(=S)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F 1 3.954 2 2 -7.79085277158059 2204731 CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCCCOC 1 0.588 2 5 0 -18.5670550057674 2204725 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)C3=CC=C(C=C3)Cl 1 1.349 3 5 0 -19.4218222018806 2204723 C1=CC(=CC=C1NC(=S)NC2=CC(=C(C=C2)Br)Cl)S(=O)(=O)N 1 4.484 3 2 -7.68942981107647 2204722 COC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C3=CC=CC=C3 1 3.663 2 6 0 -17.7665387195764 2204717 CC1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=S)N3CCOCC3)C 1 3.947 2 3 -10.8142587598196 2204716 CCOC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 3.404 3 3 -14.1708812216364 2204715 CCCCCC1=NN=C(S1)NC(=O)C(=O)OCC 1 2.07 3 3 -10.8879404303471 2204707 CCOCCCNC(=O)C1=CC=CC=C1SCC 1 2.209 1 2 -17.2141766826276 2204682 C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)NNC(=O)NC3=C(C=C(C=C3)F)F 1 3.544 3 3 -5.0078956062522 2204667 CCCCC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)C 1 1.9 3 2 0 -10.1862301711045 2204655 CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C)C 1 2.785 3 4 0 -27.9456102812031 2204649 C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NNC(=S)NCC3=CC=CO3 1 3.738 3 2 -9.03174286101836 2204647 CCOC1=CC=CC=C1NC(=O)NNS(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 1.782 3 6 0 -13.2821758961585 2204640 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)Cl 1 5.746 3 1 -9.31759170936935 2204633 C1=CC=C(C(=C1)CC(=O)NCCSCC2=C(C=CC=C2Cl)F)[N+](=O)[O-] 1 4.034 2 3 -17.461756703499 2204632 CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2F 1 2.439 2 4 -12.5887701441928 2204629 CN(C)C1=NC(=NC(=N1)N2CCOCC2)SCC#N 1 0.553 6 1 0 -8.90629773926625 2204617 C1=CSC(=C1)C(=O)/C=C/NC2=CC=C(C=C2)F 1 3.202 1 1 -3.19669540642726 2204582 CC1=CC(=C(C=C1)NC(=O)NC2=C(C=C(C=C2)OC)OC)Br 1 3.724 2 3 -8.45214210368627 2204573 C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)C4=NC5=CC=CC=C5N4)Cl 1 5.639 4 3 0 -4.0452179624636 2204571 COC1=CC(=C(C=C1)NC(=S)NNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)OC 1 3.852 3 4 0 -11.0390015397291 2204545 CC(C)(C)OC(=O)NNC(=O)NC1=CC=CC=C1C(F)(F)F 1 2.632 3 3 -10.0424976032517 2204529 C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5F 1 5.665 3 2 -2.71311440838588 2204518 C1COCCN1CCCNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 0.38 3 4 0 -17.2314792885344 2204513 CC1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)F 1 2.08 2 4 -14.1212096557465 2204484 CC1=CC(=C(C=C1)O)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.492 2 4 -4.34702064395774 2204460 C1COCCN1C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)N4CCOCC4 1 2.978 3 3 -3.00944405591583 2204449 C1COCCN1C2=CC(=C(C=C2)NC(=O)CC3=CC=CC=C3)N4CCOCC4 1 2.349 3 3 -6.29271560386043 2204400 CCN1C2=C(C=C(C=C2)Br)/C(=C/C(=O)C3=CC=CS3)/C1=O 1 3.873 1 2 -2.11858012373382 2204431 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC2=C(C=CC=C2Cl)F 1 2.447 2 5 0 -16.7479569367738 2204425 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.07 3 4 0 -13.4458986398945 2204423 CN(C)CCCNC(=O)C1=C(C=CC(=C1)Br)Cl 1 2.651 2 1 -5.29542525807643 2204385 C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)COC(=O)CCC(=O)NC3=CC=CC4=CC=CC=C43 1 4.945 1 5 -18.2858621021171 2204378 COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=O)C3=CC=CC=C3 1 4.002 1 3 -7.74266379624586 2204372 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)C(=O)N(C4=O)CCC(=O)O 1 2.906 2 5 0 -22.2406128933422 2204351 CCC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)C3=CC=CC=C3 1 4.453 1 4 -10.8047118056614 2204342 COC1=CC=C(C=C1)NC(=O)C2=CC(=CS2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 3.022 2 5 0 -4.4884508568793 2204326 CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)N3CCSCC3)Cl 1 3.431 2 4 -14.7471244290442 2204323 CC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl 1 3.556 5 1 -7.60723171848699 2204318 C1COCCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC(=O)CC4=CC=CC=C4 1 3.903 2 3 -10.4659697645826 2204306 CN(C)C(=O)C1=C(C=CC(=C1)Br)Cl 1 2.656 1 1 -1.74470940083535 2204303 C1=CC(=CC=C1NC(=O)C2=CC(=CS2)S(=O)(=O)NC3=CC=C(C=C3)F)F 1 3.466 2 3 -3.36360762226991 2204244 CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCC(CC3)C)[N+](=O)[O-] 1 5.324 4 4 0 -14.2373243140457 2204254 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3 1 1.617 3 5 0 -8.39553342105622 2204297 CC1=CC(=C(C=C1)NC(=O)COC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)C 1 4.207 2 3 -10.732813427885 2204286 CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C 1 1.356 3 5 0 -16.6364869186609 2204283 CC1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)Br 1 3.909 2 2 -6.7157149714238 2204270 C1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CO4 1 3.725 3 3 -2.95527765054879 2204256 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=CO3 1 1.552 3 5 0 -22.5980104858788 2204236 C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5O4 1 3.896 2 3 7.86833672380101 2204234 CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O 1 3.902 2 4 -14.1135981184561 2204225 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)NC(=O)C4=CC=CS4 1 4.278 3 2 1.06766754898503 2204199 CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)N3CCOCC3)N4CCOCC4 1 2.8 3 3 -4.83144274650265 2204187 CC1=C(C=CC=C1NC(=O)CSCC2=C(C=C(C=C2)Cl)Cl)C(=O)O 1 4.459 1 3 -9.37030733368804 2204184 C1=CC(=C(C(=C1)Cl)COC(=O)CNC(=O)CNC(=O)C2=CC=CO2)F 1 1.653 2 5 0 -16.1865659312984 2204165 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3)NCC4=CC=CO4 1 1.993 3 5 0 -20.0697204179378 2204149 CC1=CC=C(C=C1)SCC(=O)NC2=CC=CC(=C2)C(=O)NC(C)(C)C 1 3.633 2 2 -14.9105570403379 2204139 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(C=CC(=C4)Cl)C(=O)O3 1 3.985 2 4 -6.54673869765153 2204130 CC(=O)NC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)N3CCOCC3 1 2.204 2 3 -8.85290601044529 2204126 C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)O 1 2.988 2 4 -6.45699131348182 2204114 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NN=CS3)Br 1 1.414 4 3 0 -20.3392483808742 2204100 CC1=CC=CC(=C1)C(=O)NCCCN(C)CCCNC(=O)C2=CC(=CC=C2)C 1 3.13 3 2 -6.77299549400499 2204080 CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)NC3=CC4=C(C=C3)OCCO4)Cl 1 4.155 2 6 0 -10.1314463695546 2204065 CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)NC3=NOC=C3)Cl 1 3.363 3 5 0 -8.63939792347579 2204063 C1COCCN1C2=CC(=C(C=C2)NC(=O)C3=CC=CS3)N4CCOCC4 1 2.267 3 3 -5.45939237084774 2204057 C1COCCN1CCNC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl 1 2.693 2 3 -11.5334596840319 2204051 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br)C 1 4.038 2 4 -8.32792400857004 2204040 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C43)Br 1 3.221 2 3 -21.4759087108735 2203957 CCOC(=O)C\1=C(N(C(=O)/C1=C\C2=CC(=C(C=C2)O)OC)C3=CC=CC=C3)C 1 3.357 1 5 -8.76223498385673 2203857 COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)OCC3=CC=C(C=C3)Cl 1 4.743 1 5 -12.1611401872177 2203825 CC1=C(/C(=C/C2=CC=CS2)/C(=O)N1CC(C)C)C(=O)OC 1 2.835 1 3 -13.0237427510512 2203758 CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)N)Cl 1 2.587 2 4 -9.90875997106827 2203753 C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)OCC(=O)O 1 2.695 2 6 0 -13.7008363889779 2203738 C1=CC(=C(C=C1Br)C(=O)O)NC(=O)CCCC(=O)O 1 1.63 1 5 0 -14.575505355002 2203715 CCOC(=O)C1=C(SC2=C1CCC2)N/C=C(\C#N)/C3=NC(=CS3)C4=CC=C(C=C4)OC(=O)C 1 4.491 3 4 0 -19.9425796383497 2203693 CC(C)C(=O)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=O)C(C)C)O)O 1 3.82 2 4 -7.4497396927838 2203692 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CN=CC=C3)Br 1 1.79 3 3 0 -16.7702895873731 2203685 CC(C)NS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)OC)OC 1 1.064 1 6 0 -14.3392261089807 2203681 C1=CC=NC(=C1)C2=NOC(=N2)COC3=CC(=C(C=C3Cl)Cl)Cl 1 4.251 3 2 1.15443728076868 2203667 CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)N3CCCC3)Cl 1 3.46 2 4 -16.1791717255903 2203651 C1COCCN1C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N4CCOCC4 1 2.208 4 5 0 -8.40154582715893 2203638 C1COCCN1CCNC(=O)C2=C(C=CC(=C2)Br)Cl 1 2.277 2 2 -7.34349266641453 2203625 C1=CC=C(C=C1)CC(=O)NCC(=O)NCC(=O)OCC2=CC=CC=C2 1 1.423 2 4 0 -15.1788067891901 2203621 CN1C2=CC=CC=C2/C(=C/3\C(=O)N=C(S3)N4CCCCCC4)/C1=O 1 2.902 3 2 -4.92177256884226 2203618 CN(CCCNC(=O)C1=CC=CC=C1F)CCCNC(=O)C2=CC=CC=C2F 1 2.569 3 2 -8.91288981019377 2203609 COCCNC(=O)C1=C(C=CC(=C1)Br)Cl 1 2.32 1 2 -8.15911185542556 2203584 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)NC(=O)C5=CC(=C(C(=C5)OC)OC)OC 1 4.963 2 8 0 -7.32221525761491 2203578 CC1=C(C=C(C=C1)OCC(=O)C2=CC3=C(CCCC3)C=C2)C 1 5.555 0 2 -6.66774980685676 2203573 C1=CC(=C(C(=C1)Cl)COC(=O)CNC(=O)CNC(=O)C2=CC=CS2)F 1 2.211 2 4 -17.7435825700602 2203565 COC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)F 1 2.517 1 4 -9.50917616686314 2203564 C1=CC(=CN=C1)C(=NOC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])N 1 0.966 4 5 0 -2.8753875418348 2203542 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O)C#N 1 3.78 3 5 0 -23.3291025246658 2203539 C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O 1 1.339 3 7 0 -13.2051424012326 2203495 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2NC(=O)C 1 1.19 3 4 0 -13.8346027816918 2203454 COC1=CC(=CC(=C1OC)OC)C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5 1 3.648 3 7 0 -4.90846476448653 2203370 C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4 1 2.891 4 2 -16.6702955358888 2203416 CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C43)SC5=C2CCC5 1 4.93 3 2 -35.5331124085156 2203393 CC1=CC=C(C=C1)S(=O)(=O)NCCOC2=NC(=NC(=N2)OC)N(C)C 1 2.064 5 4 0 -10.5074293941683 2203391 CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)C(=O)N)C2CCCCC2 1 0.867 3 4 0 -14.6500106918595 2203346 CN\1C2=CC=CC=C2S/C1=C\C(=O)C3=CC(=CC=C3)OC 1 4.35 1 2 4.08051093036772 2203342 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCCC3=CC=CC=C32 1 2.806 2 3 -11.7599295650044 2203298 CCCC(=O)NC1=CC=CC=C1NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C 1 2.313 3 4 0 -16.7787446134796 2203266 CC1=CC(=C(C=C1)C(=O)NCCCC2=CC=CC=C2)C 1 4.371 1 1 -7.27273763348291 2203239 C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C4=CC=CC=C43)C(=O)C5=CC=CS5 1 4.61 2 2 -16.2550888178771 2203235 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=NC(=NO2)C3=CC=C(C=C3)OC 1 2.583 3 4 0 -0.238588672249327 2203207 CCC1=CC2=C(S1)N=CN=C2SCC#N 1 2.736 3 0 -8.97811463718544 2203190 CC1=CC=CC=C1OCC(=O)NC2=NN=C(S2)COC3=CC=CC=C3 1 3.17 3 3 -10.0424286637716 2203186 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)CC(=O)OC2=CC=C(C=C2)Br 1 3.186 1 5 -1.46873504392395 2203185 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)C 1 3.974 3 2 -7.9252382169939 2203181 C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.169 3 2 -5.62357587456525 2203173 CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC=CS3)C4=CC=CC5=CC=CC=C54 1 5.304 4 1 -8.27211887798407 2203170 C1=CC(=CC=C1OC(=O)CS(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl 1 4.044 1 5 4.22190571664897 2203157 COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC3=C(C=C2)C4=CC=CC=C4C3 1 5.396 2 3 -6.13685255284829 2203155 CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=NC=C2)Br 1 3.448 2 2 -0.999267722242849 2203094 COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)Cl 1 4.247 3 4 0 -7.82456002975694 2203076 C1CN(C2=CC=CC=C21)C(=O)CSCCO 1 1.172 1 2 0 -12.2117042293203 2203052 COC(=O)C1=CC=CC=C1NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C 1 1.766 2 5 0 -19.6961946202169 2203038 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CSC3=NC4=CC=CC=C4O3 1 3.998 3 2 -2.11529047243666 2202998 CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC=CS4 1 3.285 4 1 -17.8669431202824 2202997 CCCNC(=O)NC1=CC(=C(C=C1)F)Cl 1 2.688 2 1 -6.1198363369564 2202990 CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC(=O)N2CCCC2)C3CCCCC3)C 1 3.99 2 3 -9.43728863944912 2202985 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CCC4=CC=CC=C43 1 3.237 4 1 -17.8181751315489 2202972 C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)N 1 2.772 5 1 -15.6300256741894 2202971 COC(=O)C1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.882 2 4 -13.5744990466483 2202962 CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=C(C=CC=C2OC)OC 1 3.033 2 4 -9.17333618341502 2202953 CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)OC3=CC=CC=C3 1 5.461 3 2 -8.68264110427392 2202952 COC1=CC=CC(=C1OCC2=CC=CC(=C2)C(=O)O)/C=C(/C#N)\C3=CC=C(C=C3)Cl 1 5.5 1 4 -6.57749340176174 2202945 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5 1 5.311 4 1 -16.6002799636978 2202937 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5 1 4.349 4 3 0 -19.3317919306495 2202922 CCCC1=NN=C(S1)NC(=O)OCCC 1 2.323 3 2 -9.72016421718378 2202913 C1=CC(=CC(=C1)O)C=NN=C(C2=NON=C2N)N 1 0.521 6 2 0 -0.895073055027477 2202906 C1=CC=C(C=C1)C(=O)OCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.124 2 4 -9.60819198180624 2202905 CC1=CC(=CC=C1)OCCCCCN2CCOCC2 1 3.224 1 2 1.66916339718145 2202888 CCCCOC(=O)SC1=NC2=CC=CC=C2O1 1 4.195 1 3 -1.74880186222497 2202870 CC1=CC=C(C=C1)OCCCN2CCOCC2 1 2.188 1 2 1.19884788990243 2202857 CC1=C(C(=O)N(C1=O)CCC(=O)O)C 1 0.434 1 4 0 -9.00809953531365 2202737 C1CN(C2=CC=CC=C21)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 1.482 2 4 0 -9.30332176563568 2202731 COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4 1 4.033 4 4 0 0.609605212843297 2202721 CSC1=CC=CC=C1NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 2.132 2 3 -18.0988094785837 2202720 CCOC(=O)CC1=C(N2C(=C(C(=N2)C)C3=CC=CC=C3OC)N=C1C)C 1 2.691 3 3 -11.8891741384548 2202680 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC(=CC(=C2)OC)OC 1 2.036 2 5 0 -12.6022358302403 2202674 CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2)OC3=CC=CC=C3 1 4.132 3 2 -10.6125774936873 2202656 C1COCCN1CC2=NC3=C(C=C(C=C3C(=O)N2C4=CC=CC=C4F)Cl)Cl 1 3.839 3 2 6.47975796824285e-003 2202640 CCN1C2=CC=CC=C2C3=NN(C(=N)N=C31)C 1 0.935 5 0 0 -1.27601658325306 2202633 CCOC(=O)C(=O)NC1=NN=C(S1)CCC2=CC=CC=C2 1 2.19 3 3 -10.5834952549286 2202614 CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NCC2=CC=CO2)Br 1 3.787 1 3 -6.67978713335562 2202583 CCOCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC 1 1.184 4 6 0 -18.0094447115353 2202577 CCC1=NN=C(S1)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.78 4 4 0 -5.80967279830289 2202566 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl 1 4.938 1 3 -8.97053211416893 2202559 CCOC(=O)C1=C(N2C(=C(C(=N2)C)C3=CC=CC=C3OC)N=C1)C 1 2.374 3 3 -8.48172122012841 2202545 CC1=CN=C(S1)NC(=O)CSC2=NN=C(S2)N 1 0.419 5 1 0 -13.5810235574947 2202537 COC1=CC=CC(=C1OCC2=CC=CC(=C2)C(=O)O)/C=C(/C#N)\C3=CC=C(C=C3)[N+](=O)[O-] 1 4.73 2 6 0 -10.4938898797058 2202531 CCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CC(=O)OCC 1 2.522 3 4 0 -19.2707713804755 2202529 COC1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)C3=NOC(=N3)C4=CC(=C(C=C4)OC)OC 1 4.371 3 5 0 -5.17509101516053 2202518 CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC(=O)N2CCOCC2)C3CCCCC3)C 1 3.217 2 4 -11.305953415528 2202516 CN(CC(=O)NC1=CC=CC=C1SC)S(=O)(=O)C2=CC=C(C=C2)F 1 2.33 2 3 -14.2366262807778 2202509 CSC1=CC=CC=C1NC(=O)COC2=CC=CC=C2Cl 1 3.656 1 2 -10.7470148227702 2202493 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2N3CCOCC3)C4=CC=CC=C4 1 3.243 5 2 0 -13.7523470384042 2202481 CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CCCCCC2)Br 1 4.601 1 2 -2.48057785440053 2202439 COC(=O)C1=CC=CC=C1NC(=O)CN(C2CCCCC2)S(=O)(=O)C 1 1.72 2 5 0 -17.6895340734918 2202438 CCCOC1=C(C=CC(=C1)CC(=O)NCC2=CC=CO2)OC 1 2.677 1 4 -15.0091822557403 2202435 CCC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=O)C(C)C 1 2.742 2 2 -16.8957490900237 2202433 CC1=CC=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 4.369 3 2 1.78610350181121 2202432 CC1=CC(=CC(=C1)OC(=O)CS(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C 1 4.352 1 5 2.29713521247301 2202424 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=NC(=NO2)C3=CN=CC=C3 1 1.449 4 3 0 -3.02551981288634 2202367 CC(=O)C1=CC(=CC=C1)NC(=O)CN(C2CCCCC2)S(=O)(=O)C 1 1.605 2 4 0 -13.1531397830733 2202359 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)C3CCCCC3 1 3.983 2 3 -11.5347705937173 2202357 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.407 4 4 0 -19.6689452223525 2202307 CCOC1=C(C=CC(=C1)/C=C\[N+](=O)[O-])OCC(=O)N2CCOCC2 1 1.079 2 6 0 -6.34356252140871 2202302 C1COCCN1C2=CC=CC=C2NC(=O)CSC3=NC4=CC=CC=C4N3 1 2.915 4 2 -9.06312750281367 2202287 CC1=CC(=C(C=C1)OC(=O)CC2=CC=C(C=C2)OC)C 1 4.252 0 3 -3.62093760041672 2202285 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4 1 4.502 5 1 -1.2931549026108 2202278 COC(=O)C1=CC=CC=C1NC(=O)CN2C3=C(C=CC(=C3)Cl)OC2=O 1 2.702 2 5 0 -9.0604264771559 2202252 CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CN=C(N=C3)C4=CC=CC=C4)/C(=O)NC2=O 1 2.974 4 3 0 3.23992724798999 2202206 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC=CS3 1 4.246 1 5 -17.8091727020061 2202139 CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=CC=NC=C2 1 1.488 3 3 0 -12.6464555447556 2202110 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=CC3=C(C=C2)OCO3 1 3.386 1 6 0 -15.2667927091257 2201978 CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC=C(O3)[N+](=O)[O-])/C(=O)NC2=O 1 2.547 3 6 0 1.59279942353909 2201932 CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/C(=O)NC2=O 1 2.547 3 6 0 -0.290963361053297 2201802 C1=CC=C(C=C1)N2C(=O)/C(=C/C3=COC=C3)/C(=O)NC2=O 1 1.75 2 4 0 -5.6909239271404 2201779 CN1C(=O)/C(=C/C=C/C2=CC=CC=C2[N+](=O)[O-])/C(=O)NC1=O 1 1.432 3 5 0 2.49182693416262 2201748 CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=O)N2N=CC4=CC=CC=C4[N+](=O)[O-] 1 4.725 4 3 0 -4.92636658039242 2201732 CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=O)N2N=CC4=CC=C(C=C4)[N+](=O)[O-] 1 4.725 4 3 0 -4.51089781549013 2201710 C1=CC=C(C(=C1)NC(=O)CCCC(=O)OCC(=C(Cl)Cl)Cl)F 1 3.409 1 3 -14.2823985887633 2201707 C1=CC(=CC=C1NC(=O)CCCC(=O)OCC(=C(Cl)Cl)Cl)F 1 3.409 1 3 -12.3156704162844 2201705 C1=CC=C(C=C1)NC(=O)CCCC(=O)OCC(=C(Cl)Cl)Cl 1 3.203 1 3 -13.184201580123 2201704 C=CCOC(=O)CCCC(=O)NC1CCCCC1 1 2.375 1 3 -21.3537672735331 2201691 C1CC2=CC=CC=C2N(C1)C(=O)CN3C=C(C4=CC=CC=C43)C(=O)C5=CC=CC=C5 1 5.106 2 2 -12.5509785087593 2201684 COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=NOC(=N3)C4=CC=CC=C4OC 1 3.931 3 4 0 -0.755446087266295 2201674 CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=CS3)C(C)(C)C 1 4.306 2 4 -11.8313533794924 2201629 CC1=CC(=C(C=C1)C(=O)NCCCN2CCOCC2)C 1 1.899 2 2 0 -8.42677544083625 2201627 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2CC(NC(C2)(C)C)(C)C 1 1.232 3 3 0 -17.5999034388829 2201624 CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C)C4=CC=CC=C4 1 4.823 5 1 -7.4227313496761 2201618 CCC(C)(C)NC(=O)CC1=CC=C(C=C1)F 1 2.733 1 1 -8.29379760558581 2201612 C1=CC(=CC=C1SCC(=O)N)Br 1 1.974 1 1 0 -2.79608045429565 2201611 CN\1C2=CC=CC=C2S/C1=C\C(=O)C3=CC(=CC(=C3)OC)OC 1 4.333 1 3 2.32702267353496 2201609 CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 2.628 1 7 0 -5.60186701385399 2201604 CCOC(=O)C1=CC=CC=C1OC(=O)CS(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.642 1 7 0 -4.88190571157462 2201594 CSC1=CC=CC=C1NC(=O)CN(C2CCCCC2)S(=O)(=O)C 1 2.406 2 3 -16.2149627415429 2201593 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CCCC2)C3=CC=C(C=C3)OC 1 4.257 1 4 -11.1344540652648 2201573 C1=CSC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)O 1 1.546 6 3 0 -20.861686158474 2201555 COC1=CC(=C(C=C1)OC)S(=O)(=O)ON2C(=O)C3=CC=CC=C3C2=O 1 1.981 1 7 0 -4.88522870528622 2201553 C1CCCN(CC1)C2=CC=C(O2)/C=C(/C#N)\C3=CC=C(C=C3)Cl 1 5.375 2 1 -0.278984819277575 2201551 CCCC(=O)NC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2 1 3.332 4 2 -10.693568918586 2201536 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C 1 3.161 4 3 0 -17.8724061175749 2201513 CC1=C(C=NC2=C(C(=NN12)C)C3=CC=CC=C3OC)C(=O)C 1 1.91 3 2 0 -8.22649788159597 2201508 C1=CC=C2C(=C1)C(=CC(=O)O2)NCCCO 1 0.657 1 3 0 -1.31475296184168 2201505 CC1=CC(=NC(=N1)SCC(=O)N)OC2=CC=CC=C2 1 2.349 3 2 -8.61548227881124 2201485 CC1=C(C=CC(=C1)OCCSC2=NN=C(N2C)C3=CC=CS3)Cl 1 5.144 3 1 -4.68100361067729 2201479 CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)CC3=CC=CC4=CC=CC=C43 1 3.333 5 1 -15.0997937838786 2201466 CCOCC1=NN=C(S1)NC(=O)CCC2CCCCC2 1 2.598 3 2 -16.9888383600744 2201464 CCOCC1=NN=C(S1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 1.981 4 3 0 -16.7992375003046 2201446 C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=CS3 1 3.708 3 1 -16.6596551904087 2201423 CCOCCC1=NN=C(S1)NC(=O)CSC2=CC=CC=C2 1 2.076 3 2 -15.6855119500508 2201391 CCCNC1=NC(=NC(=N1)NC2=CC=C(C=C2)C)N3CCCC3 1 3.119 6 0 -0.10295406087595 2201386 C1=CC=C(C(=C1)C(=O)O)NC(=O)/C(=C/C2=C(C=C(C=C2)Cl)Cl)/NC(=O)C3=CC=CO3 1 3.925 2 5 0 -12.8127087567064 2201382 CCCC(=O)NC1=CC=C(C=C1)C(=O)NCC(=O)OCC 1 1.337 2 4 0 -20.6475811377263 2201377 COC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NN=C(S2)N)Cl 1 1.796 4 3 0 -16.8527704681697 2201369 COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)OC 1 4.455 3 5 0 -17.2358516213923 2201365 C1=CSC(=C1)CC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)F 1 3.242 3 1 -13.4435799846753 2201335 CC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)CC3=CC=CS3 1 3.323 3 2 -12.7666203318449 2201328 COC1=CC(=C(C=C1)OC)S(=O)(=O)NCCO 1 0.168 1 5 0 -6.94063391413328 2201317 COCCNC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CS3 1 2.615 2 3 -20.0932940635119 2201316 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)OCC(=O)NC4=CC=CC=C4OC 1 3.307 3 4 0 -11.8753615724963 2201312 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 0.593 4 5 0 -16.7703523374994 2201274 COC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)CC3=CC=CS3 1 2.985 3 2 -9.67874453959455 2201268 CCOC(=O)C1=C(N2C(=C(C(=N2)C)C3=CC=C(C=C3)Cl)N=C1)N 1 2.565 4 2 -5.22018177571145 2201266 COC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)C3=CC=CS3 1 2.95 3 2 -7.07073693116374 2201258 C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)N3CCOCC3 1 3.051 1 2 -4.82125038784869 2201257 CCOCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 1.296 4 6 0 -17.8132270974069 2201256 CC(C)COC(=O)NC1=NN=C(S1)SCCOC2=CC=CC=C2 1 3.975 3 3 -14.9219153183067 2201249 CCOCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OC 1 1.418 3 3 0 -12.9286138302673 2201244 CCCSC1=NN=C(N1C)CN2CCOCC2 1 1.31 4 1 0 -10.0819105676839 2201239 CC1=NN=C(S1)NC(=O)C2(CCOCC2)C3=CC=CC=C3 1 1.491 3 2 0 -16.3112767676614 2201238 COC1=CC=CC=C1OCCCN2C=C(C3=CC=CC=C32)C(=O)C4CC4 1 4.505 1 3 -12.5246576473445 2201235 CCOC1=NC(=NC(=N1)NCC=C)NC2=C(C=C(C=C2)OC)OC 1 2.674 5 3 0 -8.92540633710948 2201221 CC1=CC(=CC=C1)OCC2=NN=C(S2)NC(=O)OC 1 2.314 3 3 -7.76927096820064 2201200 CC1=CC(=C(C=C1)C)C(=O)NCCOC 1 1.879 1 2 0 -10.1093865614704 2201171 CCCCOC(=O)NC1=NN=C(S1)CCOCC 1 1.99 3 3 0 -14.471264709443 2201167 CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 2.979 3 3 -10.7665372416052 2201069 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C(=O)N3CCCCC3 1 2.836 3 2 -1.32894694760489 2201119 CC1=CC=C(C=C1)SCCNC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 3.476 2 2 -6.12702617559793 2201088 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NCC2=CC=CC=C2)Cl 1 2.312 2 4 -4.53724681374692 2201062 COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=NC=CS3)C4=CC=CC=C4 1 3.768 4 2 5.08166139247206 2201055 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)N2CCSCC2)Cl 1 1.367 2 4 0 -11.3087414064791 2201052 COC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 5.91 2 2 -2.12794900687649 2201051 COC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3F 1 4.738 3 2 -10.6484291396537 2201015 CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)NCC(=O)C4=CC=CC=C4)C(=O)CCC3 1 2.936 2 4 -20.168586818429 2200991 CC1=CC(=CC(=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=CC(=CC(=C3)C)C)C 1 4.644 2 6 0 -8.11117576633764 2200989 CC1=NC2=CC=CC=C2N1C(=NS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4 1 5.42 3 2 -1.81552050218321 2200945 C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(C=C2)Cl)Cl)C(F)(F)F 1 6.637 2 0 2.29442461739873 2200941 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl 1 3.991 2 1 -0.961227074209567 2200933 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.994 2 5 0 -18.651135029652 2200923 COC1=C(C=C(C=C1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F)Cl 1 4.29 1 2 -5.8355799281706 2200922 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl 1 2.417 5 3 0 -7.30503142681271 2200896 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.976 2 5 0 -17.2058338760836 2200863 C1COCCC1(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCOCC4 1 1.858 2 4 0 -15.753567642844 2200858 COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCC3=CC=CC=C32)OC 1 4.617 2 3 -16.8864225784667 2200856 COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)[N+](=O)[O-] 1 4.295 4 6 0 -1.52716566921983 2200848 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Cl 1 3.347 2 3 -3.78733088014868 2200838 CCOC1=CC(=C(C=C1)C(=O)C(=O)C)OCC 1 2.11 0 4 -2.67589807661497 2200813 C1=CC=C(C=C1)CSC2=NC(=NN2C(=O)C3=CC=CS3)C4=CC=CO4 1 4.879 3 2 -5.91276984445837 2200798 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)Br 1 2.82 2 3 -2.77299879288446 2200770 CC1=CC=C(C=C1)SCC(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CO4 1 4.113 3 3 -0.316133307543605 2200749 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NN=C(S2)C 1 1.822 3 2 0 -21.4105230683553 2200739 COCCNS(=O)(=O)C1=C(C=C(C(=C1)OC)Cl)Cl 1 1.922 1 4 0 -8.03074354612726 2200728 CCN1C(=NNC1=S)CSCC2=CC=CC=C2 1 2.851 3 0 -8.39723624420461 2200726 CCCCNC(=O)C1=CC(=C(C=C1)NC(=O)C)Cl 1 2.151 2 2 -12.9228621233791 2200722 C1=CC(=CC=C1NC(=O)CSC2=NNC(=N2)N)S(=O)(=O)N 1 -0.211 6 3 0 -13.3555132673847 2200718 CCSCCNC(=O)C1=CC(=CN=C1)Br 1 1.598 2 1 0 -9.60082927002509 2200711 CCC1=C(NC(=NC1=O)SCCOC2=CC=C(C=C2)OC(C)C)C 1 4.212 2 3 -13.2456441269071 2200704 CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F 1 2.674 2 3 -11.0999062834102 2200690 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F 1 4.434 2 2 -3.85388629365864 2200688 CC(C)OC(=O)C1=CN(N=C1C2=CC=CO2)C3=CC=CC=C3 1 3.98 2 3 3.47718581768691 2200641 C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)C4=C(C(=C(C(=C4F)F)F)F)F 1 5.082 3 1 -0.288985169537352 2200666 CC1(C2=C(C3=CC(=CC4=C3N1C(=O)C4=O)OC)C(=S)N(S2)C5=C(C=CC(=C5)OC)OC)C 1 4.159 2 5 0 -8.13725274131194 2200660 CCOC(=O)C1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=CC=C2C)C3=CC=CC=C3 1 4.716 2 4 -14.1248268964497 2200621 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F)Cl 1 4.156 2 2 -4.36450969983352 2200615 C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCOC3=CC=CC=C3Cl 1 4.499 2 2 -9.12202250077595 2200612 CC1=CC(=NC(=C1C#N)SCC(=O)C2=C(N(C(=C2)C)CCOC)C)C 1 3.123 3 2 -19.5556413375042 2200556 CC(=O)N(CC1=CC=CC=C1)CC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N 1 3.216 5 3 0 -5.01999212559216 2200596 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=NC=C(S2)C 1 1.504 4 2 0 -16.1226812776402 2200582 COC1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)OC)NC(=O)C3=CC=CO3 1 2.796 2 5 0 -10.2744628302618 2200528 CC1=CC(=CC=C1)OCC2=NC(=C(O2)NCCOC)C#N 1 2.083 3 3 -7.61191950778766 2200521 COCCCNC(=O)C1=C(C(=CC=C1)OC)OC 1 0.936 1 4 0 -13.5193205059276 2200502 COC1=CC=CC(=C1)C(=O)NCCSCC2=CC=CC=C2Cl 1 3.883 1 2 -10.1942688632562 2200471 CC1=C(C(=O)N=C(N1)SCC=C)CC(=C)C 1 2.999 2 1 -15.2180858189175 2200470 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl 1 1.11 3 7 0 -17.1488679923281 2200465 CC1=NN=C(S1)SCC(=O)NC2=NSC(=N2)C3=CC=C(C=C3)Cl 1 3.181 5 1 -9.58244049222454 2200442 C1=CC=C(C(=C1)OCCNC(=O)C2=NC=NN2)Cl 1 1.501 4 2 0 -8.09354250421189 2200408 C1=CC=C(C=C1)CNCC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N 1 3.421 5 2 0 1.80106898087492 2200405 CC1=C(C=C(C=C1)OCC(=O)NC2=NOC(=C2)C)C 1 2.561 2 3 -14.0632396283669 2200397 CCCNC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)C 1 3.437 1 3 -9.74474710729243 2200390 CC1=CC=C(C=C1)CSCCNC(=O)C2=CC=C(C=C2)C 1 4.207 1 1 -9.26660883861252 2200389 CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSCCO)Cl 1 1.76 1 4 0 -12.1480088378626 2200385 CC1=NN=C(S1)SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC 1 1.997 3 3 0 -24.3225157959293 2200381 CC(=O)NC1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.147 3 3 -13.9460611967703 2200376 CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC(=NO3)C4=CC=CC=C4)C5=CC=CC=C5)C 1 5.398 4 2 -16.2031022040524 2200364 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C3=NNC(=S)O3)Cl 1 3.992 3 2 -9.57095318060492 2200363 CC1=C(C(=CC=C1)C)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)OC 1 3.541 3 2 -2.81397255539147 2200343 C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F 1 4.633 2 1 -3.13722061717227 2200341 CCOC1=CC=CC(=C1OCC2=CC=CC=C2Cl)CNC3=CC=C(C=C3)O 1 5.544 1 3 -1.23075268847508 2200314 COC1=CC(=C(C=C1C(=O)NCCCN2CCOCC2)OC)OC 1 0.877 2 5 0 -14.4993998388259 2200299 CCOC1=C(C=CC(=C1)CNC2=NC=NN2)OCC(=O)NC(C)(C)C 1 1.358 5 3 0 -19.5769864534027 2200281 C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])CNC3=CC=C(C=C3)Br 1 5.432 2 3 -2.97422990413983 2200269 C1=CC=C2C=C(C=CC2=C1)OCCNC(=O)C3=CC(=CN=C3)Br 1 3.176 2 2 -3.7335143809138 2200267 CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N2C(=CC(=N2)C)C 1 2.38 3 3 -14.5343233931909 2200259 COC(=O)C1=CC=CC=C1CON2C3=CC=CC=C3[N+](=CC2=O)[O-] 1 1.316 2 5 0 -8.22905761495159 2200245 CN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)CSCC4=CC=C(C=C4)Cl 1 4.735 5 1 -12.4561181534043 2200235 CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC4=CC=CC=C4OC3=O)C 1 6.286 2 3 -3.54873516222129 2200234 CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC 1 4.395 3 2 -4.74938350623701 2200225 C1CCN(CC1)C(=O)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.369 2 2 -4.19232287643589 2200224 C1=CC2=C(C=C1NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F)N=C(O2)C4=CC=NC=C4 1 3.942 3 2 4.06965554276671 2200216 CC1=CC(=CC(=C1)C(=O)NCCCN2CCOCC2)C 1 1.899 2 2 0 -10.1561094264911 2200198 CC1=C(C(=C(N1C2=NC(=C(S2)C)C3=CC=CS3)C)C(=O)C)C(=O)C 1 3.519 2 2 -4.87599530426635 2200195 C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C(=O)N)NCCO 1 2.379 3 2 2.38453822484343 2200186 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NNC(=N2)N 1 1.163 5 2 0 -12.3956704597088 2200185 C1CCN(CC1)C(=O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 1.891 3 2 0 -2.62566382210742 2200182 C1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CC=C(C=C3)Cl)CCC#N)C(=O)C4=CC=CO4 1 5.046 4 2 -1.92320278773487 2200159 CC1=CC=CC2=C1N(C(=O)C2=O)CCOC3=CC=C(C=C3)C(C)(C)C 1 4.395 1 3 5.97187430581028 2200149 CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(N(C(=C3)C)CCOC)C 1 4.299 2 2 -9.15484852418979 2200143 CC1=CC(=CC(=C1)C(=O)NCCCC2=CC=CC=C2)C 1 4.371 1 1 -8.92663770211972 2200140 CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=C(C=C4)[N+](=O)[O-])[O-] 1 3.44 3 6 0 -7.69019257267519 2200132 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4)Br 1 4.39 3 3 -7.93856963608953 2200125 COC1=CC(=C(C=C1C(=O)NCC2=CC3=C(C=C2)OCO3)OC)OC 1 2.34 1 6 0 -13.7991420698914 2200037 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCCC2=CCCCC2 1 3.043 2 4 -20.981502679789 2200094 C1CCN(CC1)C(=O)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 3.034 2 2 -8.67556071967462 2200072 CC1=CC2=C(C=C1)N=C(N2)C3=CC(=CC=C3)NC(=O)C4=CC=CO4 1 3.936 3 2 4.56196064065607 2200056 CC1=C([N+](=O)C(=C(N1[O-])C)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 2.834 2 2 3.59079506795137 2200051 CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC=CS3 1 0.993 3 3 0 -11.6515419677975 2200048 COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NNC(=N3)N)OC 1 1.338 5 3 0 -15.4959597816165 2200028 CCC(=O)NC1=CC=CC=C1C2=NNC(=NC2=O)SCC=C 1 2.629 4 2 -15.1031923762617 2200018 C1=CC=C(C(=C1)OCCCCSC2=NC=CC=N2)F 1 3.594 2 1 -2.86340701762359 2200000 CC1=CC(=C(C=C1)C(C)C)OCCCN2C(=O)C(NC2=O)(C)C 1 3.216 2 3 -2.91153972452991 2199997 C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCCN3C=NC=N3 1 3.057 3 2 -6.76946428224642 2199993 CCC(=O)C1=CC=CC=C1OCCCN2C=NC=N2 1 1.897 3 2 0 -12.3299458329708 2199975 CC(C)(C)C1=CC(=CC=C1)OCCCSC2=NC=CC=N2 1 4.209 2 1 0.813606064502546 2199973 CC1=CC(=CC(=C1OCCCCN2C=NC=N2)Br)Cl 1 3.969 3 1 2.33503789560684 2199948 CCC(=O)C1=CC=C(C=C1)OCCSC2=NC=CC=N2 1 3.153 2 2 -7.38296408630383 2199944 C1=CC(=CC(=C1)OCCOCCN2C=NC=N2)C(F)(F)F 1 2.239 3 2 -4.493314310339 2199938 CC1=CC(=C2C(=C1)/C(=C/C(=O)C3=CC=CS3)/C(=O)N2)Br 1 3.804 1 2 -2.35659867156955 2199936 C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCOCCN3C=NC=N3 1 2.864 3 3 -8.2990289741019 2199929 C1=CC=C(C=C1)OC2=CC(=CC=C2)OCCCN3C=NC=N3 1 3.05 3 2 -4.40660656380537 2199895 CN1C2=CC=CC=C2/C(=C/C(=O)C3=CC=CS3)/C1=O 1 2.776 1 2 -2.35526935549762 2199894 C/C=C/C1=CC(=C(C=C1)OCCCCN2C=NC=N2)OC 1 3.008 3 2 -8.67705461341574 2199890 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN(C3=C(C=CC(=C3)[N+](=O)[O-])C)S(=O)(=O)C 1 2.937 4 7 0 -13.774107328056 2199885 C1=CC(=CC=C1SCCCCN2C=NC=N2)Cl 1 3.293 3 0 -4.18345254840649 2199876 C1=CN=C(N=C1)SCCOC2=C(C=C(C=C2)Cl)Br 1 4.159 2 1 1.81598043162878 2199850 C1=CC=C(C=C1)CNC(=O)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.216 5 4 0 -22.0468625713038 2199845 CC1(C(=O)N(C(=O)N1)CCCCOC2=CC=C(C=C2)Cl)C 1 2.78 2 3 -2.73046960550037 2199831 C1=CC=C2C(=C1)C=CC(=C2Br)OCCOCCN3C=NC=N3 1 2.954 3 2 -3.76884463436144 2199814 C1=CC=C(C=C1)C(CC2=NN=C(S2)NC(=O)C3=CC=CO3)C4=CC=CC=C4 1 4.183 3 2 -11.617816719358 2199813 CC1=CC(=CC=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=C(C=C4)Br)[O-] 1 4.448 2 3 -3.45289247365941 2199791 C1=CC(=CC=C1[N+](=O)[O-])OCCCN2C=NC=N2 1 1.384 4 3 0 -8.43637219665847 2199765 CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN(C3=C(C=CC(=C3)[N+](=O)[O-])C)S(=O)(=O)C 1 2.921 4 8 0 -17.9078881594524 2199763 C/C=C/C1=CC(=C(C=C1)OCCCN2C=NC=N2)OC 1 2.428 3 2 -10.1548230838439 2199756 CC(=O)NC1=CC=CC=C1C2=NNC(=NC2=O)SCC3=CC=CC=C3Cl 1 3.594 4 2 -16.2606127591762 2199754 C1CC2=C(C1)C=C(C=C2)OCCOCCN3C=NC=N3 1 2.354 3 2 -9.68582061924282 2199748 CCCCOC(=O)NC1=NN=C(S1)SCCOC2=CC=C(C=C2)C 1 4.598 3 3 -14.195061000922 2199742 C1CN(CCN1C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)F)C(=O)C4=CC=C(C=C4)Cl 1 4.528 3 2 -3.56112339176346 2199733 C1CCCC(CCC1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 5.327 1 1 -4.29555242463509 2199726 C1=CC=C2C(=C1)C(=CC=C2Cl)OCCSC3=NC=CC=N3 1 4.319 2 1 -7.44940733512411e-002 2199717 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(C)C)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.169 3 5 0 -13.0688216001772 2199716 C1CC2=C(C1)C=C(C=C2)OCCSC3=NC=CC=N3 1 3.803 2 1 -3.99682356100513 2199714 CC1=CC(=C(C(=C1)Br)OCCCN2C=NC=N2)Cl 1 3.389 3 1 -2.62675789118808 2199683 C1=CC=C(C=C1)C2=CC=C(C=C2)OCCOCCN3C=NC=N3 1 2.815 3 2 -4.29719263624531 2199640 C1=CC=C(C=C1)SCCOCCN2C=NC=N2 1 1.855 3 1 0 -7.19281437461041 2199612 CC1=CC(=C2C(=C1)/C(=C/C(=O)C3=CC=C(S3)Br)/C(=O)N2)C 1 4.11 1 2 -1.77484895979146 2199608 C1COCCN1CCCNC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 2.445 2 2 -7.67018476336457 2199605 C1=CC=C(C(=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=CO4)[O-])[N+](=O)[O-] 1 2.503 3 6 0 -8.00023989710845 2199592 CC1=CC=CC\2=C1NC(=O)/C2=C\C(=O)C3=CC=CS3 1 3.056 1 2 -5.29330561247764 2199456 CC1=[N+](C2=CC=CC=C2N(C1=O)OCC=C)[O-] 1 0.573 2 3 0 -10.5342526991735 2199422 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 3.284 2 5 0 -14.1695697305413 2199396 CC1(C([N+](=O)C2=C(N1[O-])C(=O)C3=CC=CC=C32)(C)C)C 1 0.96 2 3 0 -8.54391697167134e-002 2199395 CC1=CC=CC=C1OCCOC2=C(C=C(C=C2)C=NNC(=O)NC3=CC=CC=C3)OC 1 4.677 3 4 0 -7.77066451766393 2199345 COC1=CC=C(C=C1)OCCCON2C(=O)C3=CC=CC=C3C2=O 1 2.386 1 5 -1.90235159685265 2199310 C1CC2=C(C1)C=C(C=C2)OCCCCN3C=NC=N3 1 3.127 3 1 -6.6784874569592 2199281 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC(=C(C=C2)Cl)Cl 1 4.709 0 4 -10.9937339436248 2199248 CC(=O)CCC1=CC=C(C=C1)OCCCCN2C=NC=N2 1 2.291 3 2 -10.3255070614851 2199242 C1=CC=C(C=C1)OC2=CC(=CC=C2)OCCCCSC3=NC=CC=N3 1 4.948 2 2 -1.34647031008628 2199231 CCCOC1=CC=C(C=C1)OCCSC2=NC=CC=N2 1 3.602 2 2 -2.50742360728757 2199224 COC1=CC(=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4[N+](=O)[O-])[O-])OC 1 3.075 3 7 0 -9.46228325670451 2199218 C1CCC(=CC1)CC2=NN=C(S2)NC(=O)C3=CC=CS3 1 3.424 3 1 -14.0831125283173 2199211 CCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=C(C=C4)[N+](=O)[O-])[O-] 1 3.964 3 6 0 -7.23520378866197 2199198 C1=CC=C(C(=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl 1 4.314 4 3 0 -20.2951355122944 2199192 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)CSCC3=CC=C(C=C3)Cl 1 3.972 4 3 0 -14.7520305162038 2199177 CCCCOC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)CSC3=CC=C(C=C3)C 1 5.205 3 2 -8.73665124066022 2199176 CC1(C(=O)N(C(=O)N1)CCOCCOC2=CC=CC=C2)C 1 1.342 2 4 0 -8.47956316645231 2199160 C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCN3C=NC=N3 1 3.008 3 1 -2.76762794438983 2199144 CC1=CC=C(C=C1)SCCCN2C=NC=N2 1 2.534 3 0 -4.87231869026682 2199124 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC(=CC=C3)Br 1 4.881 1 1 -0.439090662885628 2199037 CC1=CC(=CC(=C1)OCCCCN2C=NC=N2)C 1 3.042 3 1 -4.77616314208127 2198996 C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)COC(=O)CNC(=O)C3=CC=CO3 1 3.155 1 6 0 -15.3935751505743 2198909 CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CN=C(N=C3)SC)/C(=O)NC2=O 1 2.417 4 3 0 -1.60572238623453 2198846 C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CN=C(N=C3)C4=CC=CC=C4)/C(=O)NC2=O 1 2.495 4 3 0 1.43197921476208 2198843 CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CN(N=C3)C4=CC=CC=C4)/C(=O)NC2=O 1 3.359 4 3 0 2.55712443198156 2198725 CCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 5.338 3 2 -11.2534461796065 2198640 CC1=CC(=C(C=C1)C)NC(=O)C(=O)NCCCN2CCOCC2 1 1.165 3 3 0 -14.2897557678717 2198602 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCC4=CC=CC=C4 1 5.715 3 2 -10.7510126340096 2198597 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)OC 1 3.785 2 4 -13.6373532035911 2198564 CN(C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C 1 1.645 3 3 0 -11.3082966507694 2198546 CCCNC(=O)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC 1 2.587 3 3 -14.6226530706578 2198533 CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.274 3 3 -4.04730679843134 2198528 C1=CC=C(C=C1)CCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NCC4=CC=CC=C4 1 5.783 4 1 -17.8198701657119 2198525 CN(C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)OC)OC)S(=O)(=O)C 1 2.186 3 7 0 -15.4661116391851 2198505 CCCOC1=CC=C(C=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 4.017 2 3 -8.98138689779439 2198487 CCCCNS(=O)(=O)C1=C(C(=C(C=C1)OC)Cl)Cl 1 3.382 1 3 -8.31267254772428 2198480 CCCN1C(=NN=C1SCC(=O)N2CCCC2)CCC3=CC=CC=C3 1 3.498 4 1 -18.0725212534988 2198459 CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=NC=CS3 1 2.874 4 2 -18.1277308495377 2198419 COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3 1 2.83 5 3 0 -15.7406301249581 2198447 CCOCC(=O)NC1=CC(=C(C=C1OC)Cl)OC 1 1.667 1 4 0 -12.6232699501284 2198445 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)Br 1 2.17 2 4 -6.05828659557686 2198376 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NCCC3=CCCCC3)S(=O)(=O)C 1 4.552 2 3 -17.9141749886011 2198365 CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=NN=C(S3)CC(C)C)N 1 3.249 6 2 0 -18.3795769491621 2198332 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3 1 3.357 3 5 0 -21.0164659207604 2198296 CCOC1=CC=C(C=C1)NC(=O)NCCCN2CCCC2 1 1.94 3 2 0 -7.24288971586447 2198291 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSCC3=C(C=CC=C3Cl)Cl 1 5.862 1 1 -5.21194366725517 2198264 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=CC(=N2)C)C#N)C 1 2.68 4 3 0 -26.4800716613805 2198258 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CN3C4=CC=CC5=C4C(=CC=C5)C3=O 1 3.944 3 2 -0.128987031257168 2198241 CC1=CC=CC=C1NC2=NN=C(C(=O)N2N)C 1 0.917 5 1 0 -3.66846480688441 2198225 CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCC4=CC=CC=C4 1 6.218 3 1 -8.11190075364388 2198211 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CCC(=O)NC3=CC=C(C=C3)Cl 1 2.451 3 4 0 -8.59805561602185 2198187 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)OC 1 4.106 2 4 -12.9124356433865 2198180 COC1=CC(=CC(=C1)C(=O)NCCSCC2=CC=CO2)OC 1 2.384 1 4 -9.60868385457673 2198178 CCCOC1=CC=C(C=C1)C(=O)NCCO 1 1.354 1 3 0 -7.70042070048342 2198168 CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)CSC2=NN=CN2C 1 2.111 4 2 -16.903429634696 2198152 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC(=CC=C2)Br 1 3.424 1 3 -5.72099764689156 2198126 CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)C5=CC=NC=C5 1 4.678 6 2 0 -10.650465730832 2198108 C1CC1C(=O)NC(=S)NC2=CC=CC=C2Cl 1 3.524 2 1 -7.31853568235374 2198093 CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C 1 1.715 5 4 0 -18.1333833438717 2198090 COC1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.489 3 4 0 -13.1024788093452 2198048 CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)CSC2=NN=C(S2)N 1 2.269 4 2 -11.8029980465621 2198037 C1COC2=C(O1)C=CC(=C2)NC(=O)CSCC3=C(C=CC=C3Cl)Cl 1 4.129 1 3 -14.1889411249764 2198015 CN(C1=CC=C(C=C1)C(=O)NCCSCC2=C(C=CC=C2Cl)F)S(=O)(=O)C 1 3.222 2 3 -16.7288498293365 2198008 COC1=CC(=CC(=C1)C(=O)NCCSC2CCCCC2)OC 1 3.477 1 3 -11.3390101207561 2198004 COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)O 1 2.082 1 4 -10.9669718911668 2197995 CC1=C(C=CC(=C1)S(=O)(=O)NCCSCC2=CC=CO2)OC 1 2.59 1 4 -3.77143256654079 2197921 CC(C)OC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CS2)C#N 1 3.215 4 2 -17.3685877688247 2197839 CCCCCCOC(=O)SC1=NC2=CC=CC=C2O1 1 5.107 1 3 -1.11198256589453 2197817 CS(=O)(=O)NCCSCC1=CC=CC=C1 1 1.361 1 2 0 -7.17591081212761 2197815 CC1=CC=C(C=C1)SCCC(=O)NC2=CC=CC=C2C(=O)NC(C)C 1 3.677 2 2 -16.9058399800495 2197810 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)CCC4=CC=CC=C4 1 6.379 3 2 -7.84033491386519 2197808 CCCOC1=CC=CC=C1NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 4.017 2 3 -11.3244598362295 2197793 CCOC1=CC=C(C=C1)S(=O)(=O)NCCSC2=CC=CC=C2 1 3.263 1 3 -5.03499804432895 2197783 C1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC(=CC=C2)Br 1 2.937 1 3 -6.7144015126525 2197779 CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NCC=C 1 3.609 2 2 -5.55934863955792 2197758 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSC3=CC=CC=N3 1 3.319 3 1 -2.58702680182815 2197756 CC1=CC=C(C=C1)S(=O)(=O)NCCSC2=NN=C(S2)N 1 1.686 4 2 0 -10.2018854504295 2197751 C1=CC(=C(C(=C1)Cl)CSCC(=O)NCC2=CC=CO2)Cl 1 3.532 1 2 -15.9130149325629 2197748 COC1=CC=CC=C1C(=O)NCCSCC2=C(C=CC=C2Cl)F 1 4.088 1 2 -13.180817083722 2197742 CCCCC1=C(NC(=NC1=O)SCC=C)C 1 3.399 2 1 -14.407708159309 2197733 CC(C)(C)SCCNC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C 1 1.7 2 3 0 -14.9674335576259 2197726 CCC(=O)NC1=NN=C(S1)SCC(=O)NC2=CC(=CC=C2)Cl 1 2.475 4 2 -14.8806641180171 2197713 C=CCNC(=O)C1=CC=CC=C1NC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.368 3 4 0 -22.2668463554684 2197701 COC1=CC=C(C=C1)N2CCN(CC2)CCCN 1 1.166 3 1 0 4.64529315907371 2197698 CC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C)Br 1 4.462 4 5 0 -19.4777844069098 2197696 CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CNC(=O)C4=CC=C(C=C4)Cl 1 3.817 6 2 0 -32.5000070306633 2197691 C=CCNC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2 1 2.142 2 3 -16.4417586026195 2197678 C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN=C(O3)C4=CC=CC=C4)C#N 1 3.897 4 2 -25.1742085078361 2197672 C1=CC=C(C=C1)CCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)C4=CC=CC=C4 1 6.396 3 1 -8.51604773427864 2197671 CN(C)CCNC(=O)C1=C(C=CC(=C1)Cl)OC 1 1.824 2 2 0 -3.87670308135509 2197663 COC1=CC(=CC(=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl)OC 1 3.867 1 3 -9.40125165892367 2197659 COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCC(=O)NC4CC4)OC2=O 1 2.467 1 5 -12.6421688026188 2197641 C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)C3=CC=C(C=C3)Cl 1 5.314 2 1 -10.0934535382735 2197620 CC1=CC=C(C=C1)CSCCNC(=O)C2=CC=CC=C2OC 1 3.705 1 2 -10.7307943028732 2197614 CCN(CC)C(=S)NC(=O)CC1=CC=CC=C1 1 3.18 2 1 -9.96182472207594 2197600 COC1=CC=CC=C1OCCCN2C=C(C3=CC=CC=C32)C#N 1 3.886 2 2 -7.92550817928382 2197597 COCCOCCN1C=NC2=CC=CC=C21 1 1.289 2 2 0 -6.31678610102331 2197593 COC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C 1 1.789 2 4 0 -19.0466661805107 2197578 C1CCC(CC1)(C2=CC=CC=C2)C(=O)N3CCCCC3 1 4.072 1 1 -6.23922292617093 2197563 CN(CC(=O)NC1=CC=C(C=C1)C(=O)N)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 0.552 3 6 0 -20.3726459912897 2197543 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 3.057 3 4 0 -26.8948604628622 2197541 CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)N3CCCCC3)N)C#N 1 4.206 5 1 -13.2089008785011 2197533 CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC(=O)O)C2=CC=C(C=C2)F 1 2.623 2 4 -6.80572955237143 2197499 C=CCSC1=NC(=C(C=C1C#N)C(=O)NC2=CC=CC=C2)N 1 2.833 4 1 -12.6550669333919 2197490 C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Br)Cl 1 5.018 2 1 0.197036137170425 2197462 CC1=CC=CC=C1NC(=O)C2=CC(=C(N=C2N)SCC=C)C(=O)N 1 2.442 4 2 -12.8423236702739 2197444 CCN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC 1 4.002 5 2 0 -8.64298162230561 2197424 COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F 1 4.773 3 2 -12.1507300894081 2197395 CC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)NC4CCCCC4 1 4.171 4 2 -10.8480634268285 2197385 CC(C)CN1C2=C(C=C(C=C2)C(=O)C)C3=CC=CC=C31 1 4.46 1 1 -0.545148105629862 2197373 CN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4 1 3.67 5 1 -8.63121125906512 2197372 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NN3 1 0.539 7 3 0 -19.3559990592687 2197364 CC1=CC=C(C=C1)C(=O)NC2C3=CC=CC=C3C4=CC=CC=C24 1 4.408 1 1 -3.84218959394197 2197353 C1=CC=C(C(=C1)C(F)(F)F)N/C=C/C(=O)C2=CC=CO2 1 3.38 1 2 1.2275551678819 2197344 CC1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)C 1 2.988 2 3 -15.3751880594558 2197281 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(CCCCC4)C=C3C#N 1 4.087 5 4 0 -23.8729417041178 2197273 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2(CCOCC2)C3=CC(=C(C=C3)OC)OC 1 2.601 2 7 0 -16.9491346030042 2197260 COC1=C(C=C(C=C1)C2=CC(=NC3=NC=NN23)C4=CC=C(C=C4)Br)OC 1 4.85 4 2 -6.89022920207197 2197251 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)CN3CCCCC3)C 1 4.413 2 2 -1.40061383616756 2197230 C1=CC=C(C=C1)CSC2=NC(=NN2C(=O)C3=CC=CO3)C4=CC=CC=C4 1 4.926 3 2 -4.74970392260319 2197219 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)CC(=O)OC 1 5.718 3 2 -10.8540132149056 2197218 C1=CC(=CC(=C1)N/C=C/C(=O)C2=CC=CO2)C(F)(F)F 1 3.38 1 2 4.63173006135399 2197209 CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1)OCC(=O)N4CCC5=CC=CC=C5C4 1 4.772 1 4 -11.0721995327876 2197206 COC1=C(C=CC(=C1)NC(=O)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.417 2 3 -15.8399947660805 2197188 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCC(CC3)CC4=CC=CC=C4 1 3.765 3 3 -4.5924978753986 2197185 COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4 1 4.301 3 2 -0.546785983620901 2197182 COC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OC)O 1 3.175 0 6 -0.90467150929336 2197171 CC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)CN3CCCCC3)Cl 1 4.591 2 2 -1.53078670400611 2197159 CCC1=CC(=C(S1)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O)C(=O)OCC 1 2.578 2 5 0 -20.416359918128 2197142 CCOC(=O)/C(=C(\N)/NC)/C(=O)C1=CC=CC=C1 1 1.133 2 3 0 -7.01046162405883 2197130 COC1=CC=CC=C1NC(=O)C2=CC(=C(N=C2N)SCC=C)C(=O)NC3=CC=CC=C3 1 3.722 4 3 0 -13.369184299813 2197124 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N(C)C)C 1 0.518 3 4 0 -20.1058461315989 2197105 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC=C(C=C3)C(=O)O 1 1.778 1 5 0 -0.924380712638813 2197085 C1=COC(=C1)C(=O)/C=C/NC2=C(C=C(C=C2)Br)F 1 3.392 1 2 3.35423632367522 2197078 CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=S)NC(=O)C3=CC(=CC(=C3)OC)OC 1 5.379 2 5 0 -13.2383590630736 2197021 CCOC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)O)C(=O)OC)C 1 3.997 1 4 -2.37062531295291 2197002 CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3C)C)C(C)(C)C 1 5.961 2 3 -6.70564558683053 2196955 CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C 1 2.274 6 3 0 -21.503537760818 2196966 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NCCCO 1 3.585 3 1 -6.41359541725694 2196963 CCN(CC)C(=O)C(=O)NC1=CC(=C(C=C1)OC)Cl 1 1.855 2 3 0 -8.13717512420195 2196926 CCC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC=C3C2=O 1 2.956 1 5 -4.42599534414447 2196922 C1=COC(=C1)C(=O)/C=C/NC2=C(C=C(C=C2)F)F 1 2.849 1 2 2.02213036620163 2196920 CCN(CC)C(=O)C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2 1 2.774 2 3 -8.13952803597645 2196909 C1=CC=C2C(=C1)C(=NN(C2=O)CCC(=O)N)C3=CC=C(C=C3)Cl 1 2.47 3 2 -6.68394873815807 2196902 COCCCN1C(=NNC1=S)C2=CC=C(C=C2)Cl 1 2.697 3 1 -2.355549976389 2196890 C1COCCN1CCCNC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 3.951 4 1 -9.77568010685606 2196888 CC1=CN=C(S1)NC(=O)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl 1 2.818 6 1 0 -10.6017149687939 2196873 CCOC(=O)/C(=C(/N)\NCC(C)C)/C(=O)C1=CC=CC=C1 1 2.325 2 3 -8.55631258983747 2196845 CCCNC(=S)NC1=CC=C(C=C1)CC(=O)OC 1 3.274 2 2 -16.3433264785317 2196835 CCN(CC)C(=O)C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl 1 2.814 2 2 -3.32355633878857 2196832 C1=CC=C(C=C1)OC2=CC=C(C=C2)N/C=C/C(=O)C3=CC=CO3 1 3.998 1 3 2.38683907343861 2196811 CCN(CC)C(=O)C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 2.768 2 3 -5.56409697420502 2196790 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)C 1 3.764 2 1 -4.22395613444034 2196772 C1CCCC(CC1)NC2=CC(=O)NC(=O)N2 1 1.515 3 2 0 -10.3475614172721 2196768 CC1=CC=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)NCC(C)C 1 3.701 2 3 -19.8485406051787 2196705 CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)OC)OCO2 1 2.077 3 5 0 -7.44720947739558 2196686 COC1=C(C=C(C=C1C(=O)NC2=CC=C(C=C2)CN3CCCCC3)Cl)Cl 1 4.917 2 2 0.308690325684988 2196664 CC1=CC=CC=C1NC(=O)C2=C(SC=C2C3=CC=CC=C3)NC(=O)CC(C)C 1 4.901 2 2 -12.4637340592667 2196626 COCCN1C(=NNC1=S)C2=CC=CC=C2F 1 2.176 3 1 -4.74071913164899 2196572 CC1=CC(=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC=C3C2=O)C 1 2.986 1 5 -2.56039173287945 2196534 C1=COC(=C1)C(=O)/C=C/NC2=CC(=C(C=C2)F)Cl 1 3.308 1 2 2.26177458970436 2196450 COCCCN1C(=NNC1=S)C2=CC=CC=C2Cl 1 2.697 3 1 -3.76119537973202 2196445 COC1=C(C=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)CN3CCCCC3 1 4.253 2 2 -0.86987843449268 2196431 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-] 1 2.961 4 4 0 -5.15652682967778 2196420 C1=CC=C(C(=C1)OC2=CC=C(C=C2)N/C=C/C(=O)C3=CC=CO3)Cl 1 4.662 1 3 2.40042397850041 2196419 CN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=C(C=C2)F 1 1.791 2 3 0 -9.49454212281267 2196398 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.202 4 3 0 -7.85066548228405 2196384 CC1=C(C(=CC=C1)C)NC(=O)COC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C 1 6.359 1 4 -11.9870365400478 2196363 CCN(CC)C(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CC(C)C 1 3.741 2 2 -12.3891215507113 2196347 CC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)Br)OC 1 3.431 2 4 -17.0871068686327 2196344 CC1=CC(=CC=C1)NC(=O)CN2C(=O)CNC2=O 1 0.168 3 3 0 -7.92917034128301 2196321 C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.568 2 2 -2.58845252308894 2196311 CCOC=NC1=C(C2=C(COC(C2)(C)C)C(=S)N1C)C#N 1 2.506 3 2 -5.10935908925134 2196292 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3 1 2.092 3 5 0 -22.0159723564779 2196287 CN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC 1 3.653 5 2 0 -8.40124805488165 2196279 C1CN(CCN1C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 1 0.511 4 6 0 -21.79127226598 2196263 C1=CC=C(C=C1)OC2=CC=CC=C2N/C=C/C(=O)C3=CC=CO3 1 3.998 1 3 1.25145652782221 2196200 C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)NCC(=O)O 1 2.215 1 4 -6.84410094131691 2196129 COC1=CC=CC=C1OC2=CC=C(C=C2)N/C=C/C(=O)C3=CC=CO3 1 3.982 1 4 0.23326570763063 2196118 CN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC(=C(C=C2)OC)Br 1 4.763 2 2 -8.85115490830207 2196104 CC1=NC(=CS1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 2.101 3 3 -0.845303164921782 2196100 CC(=O)NC1=CC=C(C=C1)N/C=C/C(=O)C2=CC=CO2 1 1.558 2 3 0 -2.92240067996629 2196096 CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2OC 1 5.934 2 1 -10.2583460475269 2196077 CCCNC(=S)NC1=CC=C(C=C1)NC2=CC=CC=C2 1 4.934 3 0 -8.97720425517031 2196065 CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C 1 1.545 6 3 0 -18.1028296473021 2196063 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCNC3=NS(=O)(=O)C4=CC=CC=C43 1 0.343 4 6 0 -27.705317183019 2196048 CCOC(=O)NC(=S)NC1=CC(=CC=C1)NC(=S)NC(=O)OCC 1 4.357 4 4 0 -8.78482215858482 2196033 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CSC3=NC4=C(CCC5=CC=CC=C54)C(=N3)C(F)(F)F 1 6.33 5 1 -10.6262994453325 2196017 CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)CC(=O)OC 1 2.895 3 2 -14.3755482684242 2195987 C1=COC(=C1)C(=O)/C=C/NC2=CC=C(C=C2)F 1 2.643 1 2 1.457847032848 2195983 C1CCCC(CC1)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 6.376 3 0 -6.56704848780504 2195963 CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC(=CC=C2)OC 1 5.934 2 1 -8.28802191156304 2195947 CC1=CC(=C(C=C1)C)S(=O)(=O)ON2C(=O)C3=CC=CC=C3C2=O 1 2.986 1 5 -3.52216019570732 2195944 CC1=CC(=C(C=C1)NC(=O)C2=C(SC=C2C3=CC=CC=C3)NC(=O)CC(C)C)C 1 5.387 2 2 -12.4929693832411 2195942 C1=CC(=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)Br 1 2.812 5 1 -5.54565362291184 2195940 C1C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)Cl 1 0.346 3 3 0 -7.99481720402532 2195927 COC1=CC(=C(C=C1)NC(=S)NCC2=CC=CC=C2OC)OC 1 4.046 2 3 -12.4648358899536 2195915 CC(C)CN1C2=C(C=C(C=C2)C(=O)O)C3=CC=CC=C31 1 4.35 1 2 0.12009339608976 2195902 CC1=CC=C(C=C1)SCCNC(=S)NC2=CC=C(C=C2)CC(=O)OC 1 5.079 2 2 -13.3435536194923 2195892 CCN(CC)C(=O)C(=O)NC1=CC(=C(C=C1)F)Cl 1 2.077 2 2 -5.40389737533536 2195877 COC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)C(=O)OC 1 3.107 0 5 -6.25158841073893 2195709 C1=CC=C(C=C1)NC2=NC(=NC(=N2)NCCO)NC3=CC=CC=C3 1 2.131 6 1 0 0.496631035775018 2195706 CCOC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CS2)C#N 1 2.838 4 2 -17.294406728 2195678 COC1=C(C=C(C=C1)C=NNC(=O)CNC(=O)/C=C/C2=CC=CO2)OC 1 1.573 3 5 0 -16.1264654013412 2195641 C=COCCNC(=O)NC1=C(C=C(C=C1)Cl)Cl 1 2.414 2 2 -8.57850508807363 2195599 COC1=CC(=CC=C1)OCCNC(=O)C2=CC(=CC=C2)OC 1 2.637 1 4 -9.46859439599943 2195593 CC1=CC=C(C=C1)C(=O)NCCOC2=CC=CC(=C2)C 1 3.642 1 2 -5.84296751025864 2195556 C1=CC=C(C=C1)SCC2=NC(=NO2)C3=CC=CC=N3 1 2.816 3 1 2.44381480954452 2195545 CC1=CC=C(C=C1)OCCNC(=O)C2CCCCC2 1 3.618 1 2 -7.22792055480585 2195525 CCC(=O)NC1=CC=CC=C1C(=O)C(=O)NC2=CC=CC=C2 1 2.287 2 3 -10.1002538569297 2195520 CC1=CC=C(C=C1)CC2=NC(=NO2)C3=CC=CC=N3 1 2.944 3 1 1.3755878010168 2195501 CCC1=CC=CC=C1NC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 6.234 2 3 -7.54183845692461 2195500 C1=CC(=C(C=C1Cl)Cl)NC(=O)NCC2=CC=NC=C2 1 2.708 3 1 -4.31177113589902 2195498 CC1=CC=C(C=C1)CC(=O)NCCCC2=CC=CC=C2 1 3.92 1 1 -10.1943023887047 2195477 CC(=O)C1=CC=CC=C1OCCOC2=CC=CC=C2C(=O)C 1 2.925 0 4 -6.18082347635735 2195469 CCOCCNC(=O)C1=C2C=CC=C3C2=C(CC3)C=C1 1 2.765 1 2 -7.24027094174436 2195465 C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCO 1 3.182 4 2 -18.4425841941161 2195449 COC1=CC=CC2=C1OC(=O)C(=C2)C3=CC=CC=C3 1 3.361 0 3 3.74833491299523 2195429 CCCC1=CC=C(C=C1)OCCNC(=O)CC 1 3.071 1 2 -6.20180101212478 2195413 COC1=C(C(=C(C(=C1)C(=O)NCCOC2=CC=C(C=C2)F)Br)OC)OC 1 3.574 1 5 -8.07447476255176 2195412 C=CCN(CCCOC1=C(C=C(C=C1)Br)Cl)CC=C 1 4.661 1 1 -1.68385663891198 2195327 CC1=CC=CC=C1OCCNS(=O)(=O)C2=CC=C(C=C2)SC 1 3.401 1 3 -1.57738119871697 2195249 CC1=CC(=C(C=C1)C)NC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 6.264 2 3 -7.17160337430507 2195248 COC(=O)C1=CC=CC=C1OCCOC2=CC=CC=C2C(=O)OC 1 3.156 0 6 -4.85062953235163 2195245 C1=CC=C(C=C1)OCCCC2=NC(=NO2)C3=CC=NC=C3 1 2.399 3 2 3.54988916471404 2195204 CC(=O)OC1=CC=CC=C1/C=C/2\CCOC2=O 1 1.955 0 4 0 -2.27004983927165 2195172 C1=CSC(=C1)CCCCOC(=O)CCCC(=O)O 1 2.671 0 4 -16.479822777188 2195085 CC1=CC=CC=C1OCCNC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC 1 3.855 1 5 -8.2730530606955 2195084 CCCCN1C=C(C(C(=C1)C(=O)OC)C2=CC=CC=C2C(F)(F)F)C(=O)OC 1 3.651 1 4 -9.29855739079912 2195056 C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)F 1 4.387 1 2 -3.84334924132386 2195049 CC1=CC(=C(C(=C1)C)OCCNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C 1 6.126 2 2 -10.3668141688403 2195041 C1=CC=C(C=C1)OCCCC(=O)N2C=NN=C2N 1 1.048 4 2 0 -4.3326701148903 2195027 CC1=CC=CC=C1C(=O)NCCOC2=CC=CC=C2Cl 1 3.82 1 2 -10.1163761946163 2195019 CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3CCCCCCCCCCC3 1 5.024 3 2 -13.5976726004074 2195008 CC1=CC=CC=C1SCCNC(=O)C2=CC=CC=C2Br 1 4.463 1 1 -8.93343715802206 2194976 CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)Cl 1 3.734 3 2 -9.39585986027432 2194910 CS(=O)(=O)N(CC(=O)NC1=CN=CC=C1)C2=CC3=C(C=C2)OCCO3 1 0.218 3 5 0 -15.5796295756417 2194885 CC1=CC=C(C=C1)S(=O)(=O)NCCOC2=C(C=CC(=C2)C)C 1 3.831 1 3 -3.84304977049374 2194883 CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 2.753 2 4 -10.5990253086216 2194880 C1=CC=C(C=C1)OCCCC2=NC(=NO2)C3=CN=CC=C3 1 2.399 3 2 0.909791013850459 2194837 COC1=CC=C(C=C1)C(=O)NCCOC2=CC=CC(=C2)OC 1 2.637 1 4 -7.97570589488744 2194833 CCCOC1=CC=CC=C1NC(=O)NC2=CC=CC=C2Cl 1 4.043 2 2 -6.12011705034843 2194780 CCC1=C(N=C(S1)N(C2=CC=CC=C2F)C(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C 1 6.88 2 1 -1.79041706363796 2194745 CCC1=CC=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 2.729 2 4 -12.2806639638285 2194734 CCCCC(=O)N(C1=CC=C(C=C1)C(=O)O)C2=NC(=C(S2)CC)C3=CC=C(C=C3)Cl 1 6.362 2 3 -1.28180277350126 2194708 COCCNCC#CCOC1=CC=C(C=C1)OC 1 1.859 1 3 0 -4.36789486778638 2194675 CC1=CC(=CC=C1)OCCCN2CCCCCC2 1 3.874 1 1 4.68929688995331 2194667 CCCCN1C=C(C(C(=C1)C(=O)OC)C2=CC=CC=C2Cl)C(=O)OC 1 3.373 1 4 -10.1887131733174 2194631 CS(=O)(=O)N(CC(=O)NCC1=CC=CC=N1)C2=CC3=C(C=C2)OCCO3 1 0.44 3 5 0 -21.006244687058 2194607 C1=CC=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.529 2 4 0 -8.87412545148651 2194591 COC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C 1 0.61 2 4 0 -9.95956270479552 2194569 CCCCS(=O)(=O)C1=C(C2=C(S1)N=C(C=C2C)C)N 1 2.741 2 2 -7.45151483339319 2194494 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 3.92 2 5 0 -9.35050745643119 2194431 CCOC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2C3CC3 1 5.521 2 1 -7.1262182013766 2194432 COCCCNS(=O)(=O)C1=C(C(=C(C=C1)OC)Cl)Cl 1 1.984 1 4 0 -9.49293817803821 2194492 C1CCN(CC1)C(=O)C(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 2.763 2 2 -10.2686193150807 2194475 CC1=C(C2=C(O1)CCCC2)C(=O)NCC3=CC=CC=C3 1 3.254 1 2 -11.4458424850437 2194474 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)NCC=C 1 1.048 1 5 0 -14.6596036192254 2194466 CCCOC1=C(C=C(C=C1)Cl)CNC2=CC=CC=C2 1 4.742 1 1 2.38563612663562 2194464 C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)F)SCC4=CC(=CC=C4)[N+](=O)[O-] 1 5.703 4 2 -12.1922515383063 2194456 CN(C1=CC=C(C=C1)C(=O)NCCCOC)S(=O)(=O)C 1 8.6e-002 2 4 0 -16.5825884339598 2194417 CCC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NCC(C)C 1 3.449 2 4 -16.1287133368402 2194383 CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)OC 1 1.304 1 5 0 -12.9790103267935 2194371 C=CCNC(=O)C1=CC=CC=C1NC(=O)COC2=CC=CC=C2 1 2.274 2 3 -17.7714812565194 2194345 COC1=CC(=CC=C1)OCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)O 1 2.848 2 6 0 -12.4951206377419 2194342 CN(C1=CC=CC(=C1)NC(=O)CN(C2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C 1 3.605 3 5 0 -15.6476992215254 2194333 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)NCCC2=CCCCC2 1 2.759 1 5 -13.7152045738908 2194313 COCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3 1 2.948 4 2 -21.8461432387777 2194290 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC=C(C=C2)Cl 1 4.072 2 2 -10.7255497652161 2194280 CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4 1 5.983 4 2 -9.05301417291848 2194279 CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 3.515 2 4 -12.6225228064649 2194236 CCCNC(=O)C1=CC=C(C=C1)CN2CCOCC2 1 1.671 2 2 0 -9.1267990346373 2194225 C=CCNC(=O)C1=CC=CC=C1NC(=O)NC2=CC=CC=C2 1 2.347 3 2 -16.3774455449793 2194209 CN1CCN(CC1)CC(=O)NC2=NC3=C(S2)CCCC3 1 1.301 4 1 0 -6.10512165668027 2194207 CCOC1=CC=C(C=C1)NC(=O)CCSC2=CC=C(C=C2)C 1 4.075 1 2 -5.68806234372578 2194184 CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CO4 1 3.837 5 2 0 -25.1164054667966 2194134 COC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C 1 0.594 2 5 0 -11.9266874724179 2194125 CCNC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 1.923 2 5 0 -19.7569109031408 2194118 C=CCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2 1 2.439 2 2 -16.9161335996047 2194059 CCCCOC1=CC=C(C=C1)NC(=O)C(=O)NCCC2=CCCCC2 1 3.944 2 3 -14.9561796239661 2194070 CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3Cl 1 6.39 3 3 -16.1802807661249 2194106 CN1C(=NN=N1)SCC2=CC=C(C=C2)CSC3=NN=NN3C 1 1.784 8 0 0 -14.575006765344 2194105 CCN(CC)C(=O)C(=O)NC1=CC(=CC=C1)Br 1 1.956 2 2 0 -5.84364372830034 2194096 CC1=C(C=C(C=C1)Cl)NC(=O)C(=O)N2CCCCC2 1 2.578 2 2 -7.9067771883324 2194086 C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)F)SCC4=CC=C(C=C4)[N+](=O)[O-] 1 5.703 4 2 -10.5672828186748 2194056 COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)NCC=C 1 2.258 2 4 -17.6730770278819 2194055 CC1=CC=C(C=C1)SCC(=O)NC2=NC=C(S2)C 1 2.637 2 1 -5.41027466055837 2194030 C1=CC=C2C(=C1)N=C(S2)SCCS(=O)(=O)C3=NC4=CC=CC=C4S3 1 4.797 2 2 -8.44882722776608 2194011 C=CCNC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2 1 2.259 2 4 -18.5646235668674 2194008 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)NCC=C 1 1.397 1 5 0 -16.0366065485236 2194000 CCCN1N=C(N=N1)NC(=O)C2=CC(=C(C=C2)OCC)Cl 1 3.06 5 2 0 -10.1138727996587 2193996 CC1=CN=C(S1)NC(=O)CSC2=CC=C(C=C2)Cl 1 2.815 2 1 -3.39997937563775 2193992 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC=C)C3=CC=NC=C3 1 3.783 4 1 -6.34440956793206 2193983 C1CCN(CC1)C(=O)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.321 3 4 0 -10.6141552005057 2193969 CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC4=CC=CC=C43)C(=O)NC5=CC=CC=C5OC 1 4.78 3 3 -14.0548989363748 2193950 COCCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3 1 3.79 4 3 0 -18.5719873100448 2193948 CC1=CC(=C(C=C1)NC(=O)C(=O)NC)C 1 1.276 2 2 0 -10.57907995967 2193932 CC1=NC2=C(O1)C=CC(=C2)NC(=O)NCCCO 1 0.255 3 3 0 -5.69740288196484 2193890 CC(C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 6.086 2 3 -12.7152820018455 2193871 CCCN1N=C(N=N1)NC(=O)COC2=C(C=CC(=C2)C)C(C)C 1 3.579 5 2 0 -8.03035757352656 2193857 CCCCC(=O)NC1=NN(N=N1)CCC 1 1.978 5 1 0 -11.8197324631084 2193853 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=NN2)C#N)C 1 1.957 5 3 0 -26.6331328534994 2193852 COC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)CNCC=C)OC 1 2.502 3 4 0 -24.5630118728666 2193848 CC1=CC(=NC(=N1)N=C(N)NC2=CC3=C(C=C2)OCCO3)C 1 1.024 5 2 0 -7.08769575382911 2193833 COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C)OC 1 0.922 2 5 0 -21.8238465235792 2193801 C1=CC=C2C(=C1)C3=CC=CC=C3C2=NNC(=O)C4=CC=CC=C4Br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r 1 2 1 5 0 -11.2143650404003 2193460 CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCOCC3 1 3.688 2 3 -6.49549156250943 2193458 COC1=CC=C(C=C1)NC(=O)CNCCC2=CCCCC2 1 2.731 2 2 -6.85313924698761 2193453 CC(=O)NC1=C(N=C(NC1=O)SCC(=O)NC2=C(C3=C(S2)CCCCCC3)C#N)O 1 2.315 5 4 0 -31.7726426520363 2193449 CC1=CC(=C(C=C1)C)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 3.118 1 4 -4.87846673007216 2193446 CCOC1=CC=CC=C1CNN2C=NN=C2 1 0.823 4 1 0 -3.94643224561746 2193438 CCOC(=O)C1=C(C(=NN1C2=CC=CC=C2C(=O)OC)C#N)N 1 1.968 4 4 0 -9.66862698421554 2193437 CCOC1=CC=C(C=C1)NC2=C(C(=CC(=N2)C)C)C#N 1 3.748 3 1 -3.81211551176965 2193434 COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)NCCCN3CCOCC3 1 1.688 2 5 0 -15.5146079989455 2193420 C=CCSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N 1 2.658 3 1 -10.4194324324994 2193419 COC1=CC(=C(C=C1/C=C(/C#N)\C2=CC(=CC=C2)Br)OC)N3CCCC3 1 4.994 2 2 -6.79485358952068 2193398 CSCCNC(=O)C1=CC(=CC=C1)Cl 1 2.316 1 1 -6.67779236277843 2193386 C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 3.211 3 2 -23.4734699697571 2193377 CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC=CO2 1 2.917 2 3 -11.4459445945414 2193374 CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CN=CC=C3 1 1.825 3 3 0 -11.2319971250477 2193358 C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4)Cl 1 2.951 6 2 0 -19.931579395895 2193355 CN(C)CCNC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)Cl 1 4.072 2 2 -3.31288193766547 2193353 C1CCCC(CC1)NC(=S)NC2CCCC2 1 4.374 2 0 -6.00262279958666 2193337 CCC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC(C)(C)C 1 3.188 2 4 -18.4917219213752 2193336 CC1=CC(=NO1)NC(=O)CSC2=NNC(=N2)N 1 0.222 6 2 0 -16.9440663452297 2193330 CC1=CC=C(O1)C(=O)/C=C/NC2=CC=CC=C2C(=O)N 1 1.586 2 3 0 1.39382662946726 2193327 C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)Br 1 3.786 2 2 -9.56775385694758 2193315 CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 2.191 3 4 0 -14.5163826284228 2193280 C1COCCN1C(=S)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.873 1 1 -1.61428608681091 2193273 CC1=C2C(=C(C=C1)N3C(=O)C4=C5C(=C(C=C4)N6CCN(CC6)C)C=CC=C5C3=O)C=CC=N2 1 4.139 4 2 0.903779215306461 2193237 CC1=CC=C(O1)C(=O)/C=C/NC2=CC=C(C=C2)NC(=O)C 1 1.704 2 3 0 -0.878270595876602 2193235 CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C 1 4.86 3 0 -8.68584076677271 2193223 C1=CC=C(C(=C1)OCC2=CC=C(O2)C(=O)NC3=CN=CC=C3)Cl 1 3.168 2 3 -5.78446338444153 2193205 C1COCCN1C2=CC=C(C=C2)/C=C\[N+](=O)[O-] 1 1.659 2 3 0 6.38681997190294 2193203 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 3.012 2 5 0 -11.6289907027107 2193201 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3(CCCC3)C4=CC=C(C=C4)[N+](=O)[O-])C 1 3.759 5 5 0 -15.6135885587006 2193197 CCN1C=C(C(=N1)C(=O)NC2=C(N(N=C2C(=O)OCC)C3=CC=CC=C3)C#N)Br 1 3.819 6 3 0 -9.62855927714238 2193192 C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)NC3=O)NC(=O)C4=CC=CS4 1 2.954 2 4 -5.77756260791752 2193181 CC(=O)NC1=C(N=C(NC1=O)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)O 1 0.819 5 4 0 -14.0127457517478 2193164 COC1=C(C=C(C=C1)NC(=O)CNS(=O)(=O)C2=CC=CC=C2)Cl 1 2.025 2 4 -11.6071147437233 2193152 C1=C(OC(=C1)C(=O)O)CSCCC#N 1 1.46 1 3 0 -8.64812686710714 2193150 CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)OCC 1 5.111 3 2 -12.3787460923517 2193127 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Br 1 4.067 3 3 -12.3304636015111 2193096 CCCSC1=NC(=S)N(C(=C1C(=O)C)C)CC2=CC=CC=C2 1 4.744 2 1 -8.89172734200837 2193089 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC=C(O3)COC4=C(C=C(C=C4)Cl)Cl 1 3.889 2 5 0 -4.36578291944124 2193084 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O 1 2.864 3 5 0 -21.1848612946353 2193078 COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)N3CCOCC3 1 2.364 2 4 -10.4868444593088 2193059 C1=CC(=C(C=C1C(F)(F)F)Cl)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br 1 4.676 3 2 0.339652361317027 2193049 CC1=C(C(=CC=C1)OCC(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4)C 1 4.646 3 3 1.36894977705955 2193041 COC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br 1 3.56 2 3 -9.81917500904693 2193038 C1CN(CCN1CC2=CC=CC=C2)C(=O)CNS(=O)(=O)C3=CC=CC=C3 1 1.547 3 3 0 -7.82739406708553 2193029 CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)CC3=CC=CC=C3 1 2.425 5 1 -17.5755946560182 2193027 CC(=O)C(=C(N)N1CCN(CC1)C2=CC=C(C=C2)OC)C(=O)C 1 1.134 3 3 0 0.474651291913153 2193022 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)Cl 1 4.671 2 4 -5.58696431264304 2193011 COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)N3CCOCC3 1 1.955 1 5 0 -12.1401029011644 2193006 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 4.047 4 2 -8.0290099937358 2192997 C1CCCC2=C(CC1)C(=C(S2)NC(=O)CSC3=NC(=O)C=C(N3)N)C#N 1 2.832 5 2 0 -29.8142137085146 2192986 COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)NCCCN3CCOCC3 1 0.834 3 7 0 -19.4874825287315 2192973 C1CC1C(=O)NC2=CC(=CC=C2)S(=O)(=O)C3=CC=CC(=C3)NC(=O)C4CC4 1 2.688 2 4 -10.4667058351615 2192957 CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=CS2 1 5.69 2 0 -10.579373849494 2192936 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)NC(=O)C4=CC=C(O4)Br 1 3.802 3 3 -0.610075212524455 2192934 CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3 1 5.179 3 2 -12.957149682619 2192919 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.194 3 4 0 -12.5332093721127 2192913 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=CC=C2)Br 1 1.375 2 3 0 -8.44458535185371 2192908 C1COCCN1CC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.105 3 5 0 -8.62476584932887 2192905 CC1=CC=C(O1)C(=O)/C=C/NC2=CC=C(C=C2)OC3=CC=CC=C3OC 1 4.127 1 4 2.3747900182451 2192886 CCOC(=O)/C(=C/C1=CC=C(C=C1)OC)/NC(=O)C2=CC=CO2 1 2.369 1 5 -11.1822043399996 2192880 CCC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC(C)C 1 3.449 2 4 -18.1235515308931 2192862 CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)COC3=CC=CC=C3Cl 1 4.015 2 5 0 -15.0280852633574 2192857 C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)CCC3=CC=CC=C3 1 4.011 2 4 -10.5328317767311 2192830 COC(=O)C1=CC=CC=C1NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 1.445 2 5 0 -19.5733808105325 2192828 CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 4.081 3 4 0 -12.0928310143816 2192806 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OCC=C 1 3.547 1 3 -11.1812150095678 2192796 CC1=CC=CC=C1CN(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.211 3 5 0 -14.877909058183 2192766 CN(CC(=O)NC1=CC(=CC=C1)SC)S(=O)(=O)C2=CC=CC=C2 1 2.125 2 3 -8.20664044117844 2192756 CC1=C(C=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=NC=CS3)C 1 3.624 2 3 -6.66411754624632 2192753 C1CC2=C(C1)C=C(C=C2)OCC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4 1 5.245 1 2 -10.4159723075864 2192744 CCOC1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CC=CO3)C#N 1 2.99 3 3 -1.7508781791488 2192741 COC1=CC(=C(C=C1NC(=S)NCCCN2CCOCC2)OC)Cl 1 3.032 3 3 -15.6946489954485 2192715 CC1=CC=CC(=C1)C2=NNC(=S)N2C3=C(C=CC(=C3)OC)OC 1 4.131 3 2 -6.71605308918177e-002 2192714 CCCC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F 1 5.32 3 3 -1.36092542352926 2192711 CC1=CC=C(C=C1)SCCNC(=O)C(C)C 1 3.179 1 1 -8.23230450979708 2192703 C1CC(=O)N(C1)C(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CO3 1 2.383 2 4 -18.0592720701274 2192702 C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=O)C=C(N3)N)C#N 1 1.919 5 2 0 -29.4597451943465 2192693 CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)OC 1 5.934 2 1 -8.56078819456783 2192679 CCCCC1=CC=C(C=C1)NC(=S)NN2CCOCC2 1 3.697 3 1 -7.70646926381864 2192631 CC1=NOC(=C1)COC2=CC=CC=C2OCC3=CC(=NO3)C 1 2.593 2 4 -6.83354544495642 2192629 CC1=CC(=CC=C1)OC(=O)NCCOC(=O)N(C2=CC=C(C=C2)Cl)O 1 4.169 2 5 0 -5.29298033602498 2192628 CC(C)C1=CC=C(C=C1)OC(=O)NCCO 1 2.248 1 3 -5.2322070366766 2192587 CCN\1C2=C(C=C/C1=C\3/C(=O)N(C(=S)N3C)CC)C=C(C=C2)C 1 3.836 3 1 -0.93903979523844 2192557 C1CC2=C(/C(=C/C=C(Cl)Cl)/C1)OC(=O)C=C2 1 3.291 0 2 -1.9902120113336 2192547 COC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2)OC 1 2.581 1 3 -8.12680636350652 2192542 C1=CC=C2C(=C1)C(=CN2)C(=O)N 1 1.125 2 1 0 0.132593902611896 2192496 CC(C(C(=O)OC)C(=O)OC)C(C(=O)OC)C(=O)OC 1 0.463 0 8 0 -5.46223140082287 2192490 CC(C)C(C(C(=O)OC)C(=O)OC)C(C(=O)OC)C(=O)OC 1 1.171 0 8 0 -6.05943175826138 2192482 CC(=CCC/C(=C/C=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])/C)C 1 4.178 3 3 -8.81435593120887 2192475 CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C 1 0.367 2 4 0 -12.4742658134602 2192456 CCN1CCN(CC1)C(=S)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.868 3 2 -4.56435341788607 2192454 C1=CC=C(C=C1)/C=C/CNN2C=NN=C2SCC3=CC=CC=C3Cl 1 4.29 4 0 -7.53833494614675 2192449 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCCO 1 3.533 2 2 -6.47669796393223 2192440 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCNC(=O)C3=CC=CO3 1 0.934 3 4 0 -11.3223747942864 2192421 C1CCC(C1)NC(=S)NCCCO 1 1.582 2 1 0 -8.90759509666983 2192399 CCCCC1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 4.977 3 2 -15.0444678856267 2192390 CN(C)CCCNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2CCCCC2)Cl 1 -0.867 3 4 0 -11.5237738109398 2192366 COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NCCO 1 1.931 2 4 0 -9.91993758702894 2192347 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2Br 1 1.375 2 3 0 -10.7456180798104 2192340 CN(CC(=O)NC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=CC=C2 1 1.55 2 5 0 -15.5418448129213 2192335 CN1C(=NN=C1SCC(=O)N2C3=C(CCCC3)C4=CC=CC=C42)C5=CC=CC=C5 1 5.591 4 1 -4.89369794385371 2192323 C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CO5 1 4.235 4 3 0 0.119190315038472 2192319 CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3C#N 1 2.991 5 1 -13.4149938801279 2192312 COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3)OC 1 4.356 3 3 -10.2235175248542 2192297 CCCCC1=CC=C(C=C1)NC(=S)NCCCN2CCOCC2 1 4.255 3 1 -11.2966288350282 2192292 CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC=C(C=C2)Cl 1 3.811 2 2 -13.0885583497511 2192287 C1=CC(=CC=C1CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N 1 1.827 4 4 0 -14.3522860472649 2192284 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Br 1 3.507 3 2 -3.08669324631727 2192280 CC1=CN=C(S1)NC(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3 1 2.222 5 1 -14.921395188246 2192244 CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C 1 1.113 2 3 0 -9.90330189033904 2192241 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=C(C=C(C=C2)OC)OC 1 2.445 1 5 -12.865113100224 2192212 COC1=CC(=C(C=C1/C=C(/C#N)\C2=CC=C(C=C2)Br)OC)N3CCCC3 1 4.994 2 2 -6.82499889433584 2192198 CCCCC1=CC=C(C=C1)NC(=S)NCC2=CN=CC=C2 1 4.799 3 0 -10.3891839612227 2192193 C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)Cl 1 3.702 2 2 -10.3233971001058 2192185 CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NCC3=CC=C(C=C3)OC 1 2.155 5 3 0 -18.4517489612729 2192179 C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CSC3=NC(=O)C=C(N3)N 1 1.391 6 4 0 -14.9356197694891 2192174 COC1=CC(=C(C=C1NC(=S)NCCCO)OC)Cl 1 2.666 2 3 -12.3325643058494 2192163 CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2Br 1 2.338 2 3 -13.9462636298995 2192119 CC1=CC=C(O1)C(=O)/C=C/NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.478 2 4 0.351422047898636 2192108 C1=COC(=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NC3=NC=C(C=C3)Br 1 3.595 3 3 -7.00291759349572 2192106 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O 1 3.618 1 5 -7.77590646796987 2192094 CCCNC1=NC(=S)N(C(=C1C(=O)C)C)C2=CC=CC=C2 1 3.627 3 1 -5.62049108654348 2192084 CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3)N4CCOCC4)Cl 1 3.88 5 3 0 -12.7013030358593 2192080 CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)NC3=CC4=C(C=C3)C5=CC=CC=C5O4 1 4.869 4 3 0 -14.788629454868 2192078 C1=CC(=CC(=C1)F)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CO3 1 2.567 2 4 -11.9094623405884 2192072 CCCCC1=CC=C(C=C1)NC(=S)NCCN2CCOCC2 1 4.193 3 1 -11.2593073900505 2192066 COCCCNC1=C(N=C(O1)C2=CC=CC=C2Cl)C#N 1 2.488 3 2 -2.37140931558541 2192054 CCN1C(=C(C(=NC1=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C)C 1 4.79 4 1 -9.76968165070919 2192050 CCOC1=CC=CC=C1OCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 4.85 1 4 -9.59567029926896 2192043 COC(=O)C1=CC=C(C=C1)NC(=O)CS(=O)(=O)C2=CC=CC=C2 1 1.847 1 5 0 -12.2776212006512 2192029 CCOC(=O)/C(=C/C1=CC=CO1)/NC(=O)C2=CC=C(O2)Br 1 2.349 1 5 -11.3828677890269 2192024 CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CO4)C(=O)C 1 3.236 4 3 0 -7.08730132205545 2192012 CCN1C=C(C(=N1)C(=O)NC2=C(N(N=C2C#N)C3=CC=CC=C3)C(=O)OCC)Br 1 3.819 6 3 0 -10.2236285890715 2191990 C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.584 3 2 -10.3563890060121 2191971 C1CCC(C1)NC(=S)NCCCN2CCOCC2 1 1.948 3 1 0 -12.2696797862689 2191955 CCCCC1=CC=C(C=C1)NC(=S)NCCO 1 3.827 2 1 -9.03810182321743 2191947 C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)Br 1 4.505 3 2 -10.9105746764304 2191946 CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl)C4=CC=CC=C4 1 3.559 5 2 0 -10.1712293848129 2191933 CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC3=C(C=C2)OCO3 1 3.533 1 3 -6.42059203306584 2191930 CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC4=C(C=C3)C5=CC=CC=C5O4 1 4.798 4 3 0 -20.6536879029459 2191928 CC(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)F 1 2.296 3 1 -12.7005945037724 2191858 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCNC(=O)C3=CC=C(C=C3)F 1 1.744 3 3 0 -10.6963411172257 2191866 C1=CC=C(C=C1)CNN2C(=NN=N2)C3=CC=CC=C3 1 2.157 5 0 -5.24774772616955 2191773 C/C(=C\C(=O)NC1=NC=CS1)/C2=CC=CC=C2 1 2.526 2 1 -0.552009977943613 2191770 C1=CC=C(C(=C1)C(=O)N)NC(=O)C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.613 3 6 0 -15.4033351681248 2191720 C1=CC=C(C=C1)CSC2=N/C(=C\C3=CC=CO3)/C(=O)S2 1 4.387 1 2 -9.27911727882759 2191628 CCOC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCC=C)S(=O)(=O)C3=CC=C(C=C3)C 1 4.75 2 4 -18.0408335547847 2191659 CCNC(=S)NN=CC1=CC=C(C=C1)OCCOC2=CC=CC=C2C 1 4.682 3 2 -7.01058069108095 2191625 CC1=CC(=CC=C1)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CS3 1 3.406 2 3 -12.6454105102131 2191601 C1=CC2=NC=CN=C2C=C1NC(=S)NCCCO 1 1.499 4 1 0 -6.82013710343679 2191595 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCC3=CN=CC=C3 1 2.309 3 3 -18.8645876987808 2191547 C1=CC=C(C=C1)CSC2=N/C(=C\C3=CC=C(C=C3)C(=O)O)/C(=O)S2 1 4.621 1 3 -13.2209289986648 2191518 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N 1 1.829 1 4 0 -9.40967752097325 2191511 C1=CC(=CC(=C1)F)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CS3 1 3.125 2 3 -12.7420503979117 2191502 CC(C)(C)C1=CC=C(C=C1)C(=O)NCCSC 1 3.052 1 1 -6.57257165781179 2191501 CC1=NC2=C(C=C(C=C2)NC(=S)NCCCO)N=C1C 1 2.064 4 1 -8.65900181552156 2191488 CC1=CC(=NN1)C(=O)NN=C/C=C/C2=CC=C(C=C2)Br 1 2.81 4 1 -2.56041332028413 2191479 C1CCN(C1)C(=O)C(=O)NCC2=CC=CO2 1 0.159 2 3 0 -13.2515249186084 2191476 CCCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC)/C1=O 1 4.912 2 4 -10.5482895596265 2191470 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NCCN3CCOCC3 1 2.307 3 3 -20.5768108231802 2191433 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCOC 1 1.904 1 5 0 -16.5188392799206 2191420 CCOC(=O)CSCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)NC2=O)OC 1 1.501 2 7 0 -20.5565110456614 2191400 CCOC(=O)C(=C1CCCCC1)NC(=O)C2=CC=CC=C2 1 3.402 1 3 -6.33813182942572 2191385 CN1CCN(CC1)C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CS3 1 2.005 4 4 0 -17.7581981809586 2191297 CCOC1=C(C=CC(=C1[N+](=O)[O-])/C=C\2/C(=O)N(C(=S)S2)CC=C)OC(=O)C 1 3.658 2 6 0 -13.2651478317142 2191222 C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)SC(=N2)SCC3=CC=CC=C3 1 5.906 1 1 -10.9870376332513 2191172 CCOC1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])/C=C\2/C(=O)SC(=N2)SCC=C 1 4.019 2 6 0 -16.4797120565055 2191063 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.613 3 6 0 -16.7988347035824 2191037 CCOC1=CC=C(C=C1)C(=O)NCCO 1 0.831 1 3 0 -8.15540948449664 2191016 CCOC(=O)SC1=N/C(=C\C2=CC=C(C=C2)N(C)C)/C(=O)S1 1 4.346 2 3 -9.81363132813895 2190946 CC(=O)NCCOC1=NC(=NC(=N1)N(C)C)N(C)C 1 -0.231 6 2 0 -9.53671283522152 2190942 CN1C(=O)/C(=C\N2CCC3=CC=CC=C32)/C(=O)NC1=S 1 1.738 3 2 0 -4.62502326019009 2190935 C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 3.758 3 5 0 -10.5523895308014 2190927 CN(C)C1=CC=C(C=C1)N/C=C/C(=O)C2=CC=C(C=C2)F 1 3.41 2 1 -1.24912016074412 2190906 C/C(=C\C1=CC=CC=C1)/C(=O)NCC2=CC=CO2 1 2.717 1 2 -9.59649236405907 2190894 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)OCN3C(=O)C4=CC=CC=C4C3=O 1 3.186 2 6 0 -13.0509945718183 2190884 C1CCC(=O)/C(=C\NCC2=CC=CC=C2)/C1 1 2.296 1 1 -6.82506084154836 2190857 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.688 4 3 0 -11.4572171294932 2190853 CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.174 4 3 0 -8.53337573755301 2190852 CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)Cl 1 3.975 2 3 -11.624221200673 2190841 CC1=CC=C(N1N2C(=O)/C(=C\C3=CC=C(C=C3)OC)/SC2=S)C 1 4.246 2 2 -5.41566356023647 2190828 C/C(=C\C1=CC=CC=C1)/C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 3.467 2 3 -5.2087598975123 2190820 CN1C(=O)/C(=C/C2=CC=CS2)/N(C1=S)CC(=O)OC 1 2.232 2 3 -8.57340282825146 2190798 C/C(=C\C1=CC=CC=C1)/C(=O)NCCN2CCOCC2 1 1.778 2 2 0 -10.7355511223285 2190777 C1=CC=C(C(=C1)C(=O)N)N/C=C/C(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.374 2 2 1.7609489963596 2190761 COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)N4CCOCC4)/N(C2=S)CC(=O)OC 1 3.689 3 5 0 -9.61491318767153 2190751 CC1=C(C(=NO1)C)CSC2=NN=C3N2C4=CC=CC=C4C=C3 1 3.49 4 1 -15.4881581746224 2190747 CCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 4.114 2 4 -12.4555916165678 2190724 COC1=CC=CC=C1OC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 4.193 1 3 -5.99932552322919 2190720 CN(C)C1=NC(=NC(=N1)N2CCOCC2)OCCNC(=O)NC3=CC=CC=C3 1 1.029 7 3 0 -10.4659451535289 2190717 CCOC(=O)/C(=C(/N)\NCC1=CC=CO1)/C(=O)C2=CC=CC=C2 1 1.898 2 4 0 -9.062491178064 2190697 CC(=O)NCCOC1=NC(=NC(=N1)N(C)C)N2CCCCC2 1 0.686 6 2 0 -8.5718505489658 2190686 CCC1=C(N=C(S1)NC(=O)C(=O)OCC)C2=CC=CC=C2 1 3.057 2 3 -0.419401960838161 2190685 CC1=C(SC(=S)N1C)C(=O)OCCOC2=CC=C(C=C2)Br 1 4.405 1 3 -7.78580637061374 2190658 C1CCC(=O)/C(=C\NCC2=CC=C(C=C2)F)/C1 1 2.501 1 1 -5.29836891130351 2190649 COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.136 1 4 -12.5946342674782 2190644 C1CCC(CC1)CCC(=O)NC2=NN=C(S2)C(F)(F)F 1 3.601 3 1 -11.4925813744289 2190627 C/C(=C\C1=CC=CC=C1)/C(=O)NC2=NC=C(C=C2)Cl 1 3.581 2 1 -2.45096809659343 2190615 C1=CC(=CC(=C1)NC(=O)CSCCO)C(F)(F)F 1 1.834 1 2 0 -3.38032681257247 2190600 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 3.283 4 5 0 -11.5516656954926 2190575 CC(=O)C1=CC=C(C=C1)NC(=O)CSCCO 1 0.632 1 3 0 -11.4608219329939 2190560 C1CCC(=O)/C(=C\NC2=CC=C(C=C2)C(=O)O)/C1 1 2.196 1 3 -7.67943560872197 2190557 COC1=CC=CC=C1C2=NC(=C(O2)N3CCCCC3)S(=O)(=O)C4=CC=CC=C4 1 4.481 2 4 -9.94487383153948 2190555 CCN1C(=CC(=C1C)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)C 1 2.468 2 3 -12.6658180748241 2190497 CCCN/C(=C(/C(=O)C1=CC=C(C=C1)OC)\C(=O)OCC)/N 1 1.989 2 4 0 -8.48607304641629 2190489 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4 1 2.632 4 6 0 -31.5897584108427 2190438 CCOC(=O)C1=CN=C2C(=C1NCC3=CN=CC=C3)C=CC=C2C(=O)OC 1 2.317 3 4 0 -7.990949426694 2190407 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)OCC=C 1 3.745 1 3 -16.1849125397851 2190341 CCC(=O)NC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.814 3 6 0 -19.1705112883848 2190312 CCN1C(=O)/C(=C/N2CCC(CC2)C(=O)OCC)/C(=O)NC1=S 1 1.017 3 4 0 -7.71987068660693 2190311 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.007 3 5 0 -7.37901378942779 2190284 C1CCN(CC1)C(=S)NCCC2=CC=CC=C2 1 4.015 2 0 -11.5880156781978 2190229 CCCOC1=CC=C(C=C1)N/C=C/C(=O)C(C)(C)C 1 3.771 1 2 -5.09302911050612 2190180 CC(=O)NC1=CC=C(C=C1)N/C=C/C(=O)C(C)(C)C 1 2.036 2 2 -8.03719922101621 2190160 CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NCCOC 1 2.614 1 3 -4.86496036292048 2190149 C1=CC(=C(C=C1Cl)CNC2=NC=CS2)O 1 2.169 2 1 6.52993083761881 2190095 CCNC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=C(C=C2)C 1 2.724 3 4 0 -19.1815596589682 2190077 CC1=CC=C(C=C1)S(=O)(=O)NCCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.743 3 6 0 -12.4742139080213 2190013 CC1=CC=C(C=C1)CC(=O)NC2=NC3=C(S2)CCCC3 1 3.523 2 1 -8.02902172792785 2190027 CCCC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)OCC 1 3.939 2 3 -9.01705843615596 2190063 C1CCN(C1)C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F 1 4.115 1 2 0.59200446361793 2190037 COCCNS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Cl 1 2.793 1 3 -3.04296167233366 2189931 C1=CC(=C(C=C1C(F)(F)F)NC(=O)CSCCO)Cl 1 2.498 1 2 -3.99399154905331 2189927 CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C(C)C 1 3.931 3 2 -17.2373180718681 2189916 CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C 1 4.262 3 5 0 -16.2165333357768 2189900 COCCN1C(=O)/C(=C/C2=CC=C(C=C2)N3CCCC3)/SC1=S 1 3.539 2 2 -7.23117699541868 2189877 CC1=CC=CC=C1NC(=O)/C(=C\C2=CC=CC=C2)/C(=O)C 1 3.259 1 2 -3.16452960675522 2189874 CC1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 3.235 2 3 -6.70007679185574 2189851 COC1=CC=C(C=C1)N/C=C/C(=O)C2=CC=CC=C2 1 3.026 1 2 -0.508324584250206 2189681 CC(C)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CN=C(N=C3)SC)/C(=O)NC2=O 1 3.125 4 3 0 -1.32226268958289 2189647 CCOC(=O)C1=CC=C(C=C1)N/C=C/C(=O)C2=CC=CC=C2 1 3.247 1 3 -4.25094410492236 2189636 CCOC(=O)/C(=C(\N)/NC(=O)NC1=CC=CC=C1)/C(=O)C 1 0.621 3 4 0 -1.20701276997722 2189599 COC1=CC=C(C=C1)C=NN=C(C2=NON=C2N)N 1 0.746 6 2 0 -3.5514990217618 2189547 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC(=C(C=C3)Cl)Cl)C 1 4.167 4 3 0 -6.08678182120462 2189526 COC(=O)CCCC(=O)NC1=C(C(=C(C(=C1F)F)F)F)F 1 2.504 1 3 -15.1828970609105 2189500 CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2CCOCC2)[N+](=O)[O-] 1 1.206 3 6 0 -8.49035385331021 2189453 CCCCOP(=O)(CN1CCOCC1)OCCCC 1 1.961 1 4 0 -6.37698626856929 2189421 CCCCOC(=O)NN=C/C=C/C1=CC=CC=C1 1 3.351 2 2 -2.50424103910682 2189366 C1=CC=C(C(=C1)O)OC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.123 3 6 0 3.38516164955552 2189305 C/C(=C\C1=CC=CC=C1)/C(=O)NC2=NC=CS2 1 2.526 2 1 -5.89718462556453 2189264 CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N2CCN(CC2)C=O 1 0.406 3 4 0 -13.0569224264754 2189234 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NN=C(S3)C 1 3.252 3 3 -19.0975786615702 2189212 CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F 1 2.964 3 4 0 -14.1441641210091 2189210 CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)OC(=O)C4=CC=CO4)OC)/C(=O)N2 1 3.549 2 6 0 -9.40920357610318 2189205 CCOC(=O)C1=C(S/C(=C\C2=CC=C(O2)C)/C1=O)NC(=O)C3=CC=CC=C3 1 3.279 1 5 -8.41619015544306 2189197 CCCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(O2)Br 1 3.277 2 3 -11.4036482122242 2189191 COC1=CC(=C(C=C1)OC)N/C=C\2/CCCCC2=O 1 2.534 1 3 -6.37817060173637 2189174 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CCCCC3)[N+](=O)[O-] 1 4.074 3 3 -8.63459894512027 2189117 CCN1C(=O)/C(=C\C2=CC=C(O2)SC3=NC4=CC=CC=C4N3)/SC1=O 1 4.192 3 3 -1.80895499412326 2189101 CCC1=CC=C(C=C1)C(=O)/C=C/NCC2=CC=C(C=C2)F 1 3.92 1 1 0.319825413977908 2189076 CCCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.208 3 4 0 -14.990160840798 2189062 CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br 1 2.248 2 3 -20.9174696563992 2189059 CC1=CC(=NC(=S)N1)OC2=NN(C(=O)C=C2)C 1 1.371 4 2 0 -9.21337337392895 2189034 CCCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)Br 1 4.062 2 2 -11.1180253498406 2189029 C1=CC=C(C=C1)NC(=O)/C=C\C2=CC=CC=C2[N+](=O)[O-] 1 2.976 2 3 -4.83546969581478 2189028 CC1=CC(=C(C=C1)O)N/C=C/C(=O)C2=CC=C(C=C2)F 1 3.492 1 2 5.05524772677198 2188922 CC1=C(C=CC2=C1OC(=O)C3=C2C=CC(=C3)OC)OCC(=O)N4CCC5=CC=CC=C5C4 1 4.327 1 5 -10.9901213658102 2188910 CC(C)(C)C(=O)/C=C/NC1=CC=C(C=C1)OC2=CC=C(C=C2)OC 1 4.459 1 3 -2.82625856594275 2188907 C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4F 1 5.427 2 1 -19.5587311479015 2188897 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCCOC 1 1.287 2 4 0 -8.59572174977922 2188946 CCCNC(=O)CN(CC1=CC=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)C 1 3.154 2 3 -18.2986145729927 2186428 CC(=O)NCCOC1=NC(=NC(=N1)N2CCCCC2)N3CCCCC3 1 1.603 6 2 0 -6.59193881683151 2186406 C1=CC(=CC=C1C2=C/C(=C\C3=CC=C(O3)[N+](=O)[O-])/C(=O)O2)F 1 3.17 1 5 1.08902890202131 2186383 CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)OC)C 1 4.104 2 6 0 -19.4102677158527 2186358 CCC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CS3)/N(C2=S)CC(=O)OC 1 4.751 2 3 -9.09776235870817 2186345 CCOC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)OC(=O)C4=CC=CO4)OC)/C(=O)N2 1 3.267 2 8 0 -13.3359109806959 2186324 COC1=CC=C(C=C1)N/C=C\2/CCCCC2=O 1 2.55 1 2 -5.21984785951977 2186299 CCN1C(=CC(=C1C)/C=C\2/C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Cl)C 1 3.13 3 2 -3.6638454400093 2186211 CCCNC(=O)C1=CC(=CC=C1)NC(=O)C(C)C 1 2.16 2 2 -17.2525898700029 2186149 C1=CC=C(C(=C1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)[N+](=O)[O-] 1 2.206 5 5 0 -11.594380934987 2186107 CC1=CC(=C(C=C1)O)N/C=C/C(=O)C2=CC(=CC=C2)OC 1 3.27 1 3 2.46930399484353 2186104 CCCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Br 1 4.062 2 2 -10.4204731322929 2186090 CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2 1 4.342 2 3 -15.1124711339368 2186087 CC1=CC=C(C=C1)S(=O)(=O)NCCCNS(=O)(=O)C2=CC=CC=C2 1 1.849 2 4 0 -6.57618690479096 2186086 CC(C)(C)C1=N/C(=C\C2=C(C=C(C=C2)OC)OC)/C(=O)O1 1 3.162 1 4 -4.98181632205709 2186072 CC(C)(C)C(=O)/C=C/NC1=CC=C(C=C1)OC 1 2.899 1 2 -4.78179474281132 2186038 C1COCCN1/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3Cl 1 1.028 3 4 0 -6.73103699874992 2186033 C1=CC=C2C(=C1)C(=O)C(=CO2)C=C3C(=O)NC(=O)NC3=O 1 0.382 2 5 0 -4.40425826141683 2186028 CC1=CC=C(C=C1)S(=O)(=O)NCCCNC(=O)C 1 0.482 2 3 0 -11.5986076949969 2186011 CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OCC(=O)O)/SC2=O 1 3.682 1 5 -5.58185945299464 2185984 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CS3)/N(C2=S)CC(=O)OC 1 4.141 2 4 -9.9664706351462 2185976 CC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)N2)C)N3CCCC3 1 3.145 3 1 -0.735391767601706 2185938 CC1=CC=C(C=C1)C(=O)/C=C/NC2=CC=CC=C2C(=O)N 1 2.531 2 2 -0.695984269601898 2185926 CN(C)C1=NC(=NC(=N1)OCCNC(=O)OC)N(C)C 1 0.412 6 3 0 -10.3686705049302 2185895 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3F 1 3.604 2 2 -7.6971848418103 2185797 CCOC(=O)C\1=C(N(C(=O)/C1=C\C2=CC=CO2)C3=CC(=C(C=C3)C)C)C 1 3.983 1 4 -8.11619299511564 2185790 CCN1C(=NNC1=S)CCNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.087 4 1 -8.60857471214791 2185771 CC(=O)NC1=CC=CC=C1C(=O)C(=O)NC2=CC=C(C=C2)F 1 1.826 2 3 0 -9.4627124048925 2185728 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCCN2CCOCC2 1 0.742 3 5 0 -11.2901486509545 2185710 CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)Cl)[N+](=O)[O-] 1 5.325 3 3 -1.74217262649766 2185679 CC1=CC(=NC2=NC(=NN12)N(C(=O)C)C(=O)C)C 1 0.437 5 2 0 -8.09225831453909 2185672 CCOC(=O)C1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=CC=C3OC)/S2 1 3.068 2 4 -8.32407627210504 2185628 C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)C(=O)C4=CC=CC=C4 1 4.763 4 2 -10.6856267077905 2185606 CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl 1 3.703 2 3 0.716900937971998 2185599 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Br 1 3.612 2 5 0 -11.1637347663197 2185566 CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC(=CC=C2)OC)C 1 3.052 3 4 0 -15.6378529718825 2185557 CN\1C2=CC3=C(C=C2S/C1=C/C(=O)C4=CC=C(C=C4)OC)OCO3 1 4.118 1 4 2.70150116553182 2185556 CC1=CC(=O)NC(=C1C(=O)N)SCC=C 1 0.924 2 2 0 -12.8444813852422 2185539 CC1=C(/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)N1CC3=CC=CO3)C(=O)OC 1 2.349 2 6 0 -14.7117467166476 2185533 CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)N3CCCCC3 1 1.711 5 2 0 -14.2731045814293 2185505 CCOC1=CC=C(C=C1)C(=S)N2CCCC2 1 3.461 1 1 -4.0336068857171 2185494 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3CCCCC3 1 3.762 3 2 -7.22927976628726 2185493 C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=C(C=C3)Br 1 4.956 2 0 0.989420706627828 2185441 CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4O3)C5=CC=C(C=C5)N 1 4.15 5 2 0 -11.1593520855667 2185438 CC(C)C1=CC=CC=C1OCCNC(=S)NC(=O)C2=CN=CC=C2 1 3.587 3 2 -12.6176969431271 2185437 C1COCCN1C(=O)COC2=CC=CC=C2/C=C\3/C(=O)NN(C3=O)C4=CC=CC=C4 1 1.189 3 5 0 -9.822774793351 2185406 C1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3C(=O)N2 1 2.475 1 1 -4.09484493751796 2185394 C1=CC(=CC=C1C(=O)/C=C/NC2=CC=C(C=C2)S(=O)(=O)N)Br 1 2.496 2 3 -4.60476789595125 2185358 C1=CN=CC=C1C=NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.321 5 5 0 -7.3518069322335 2185288 C1=COC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.29 2 7 0 -16.6865971261535 2185271 C1=CC=C(C=C1)NC2=CC=C(C=C2)N=CC3=CC4=CC=CC=C4C=C3 1 5.885 2 0 9.26839605000433 2185204 CC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)C)OC)OC 1 5.857 2 4 -5.91547942283615 2185182 COC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=CO3 1 2.731 2 4 -9.44805230498816 2185081 COC1=CC(=C(C=C1)NC(=O)CC(=O)NC2=C(C=C(C=C2)OC)OC)OC 1 1.85 2 6 0 -7.75778116332512 2185058 CCN1C2=C(C=C(C=C2)NC(=O)C(=O)N3CCOCC3)C4=CC=CC=C41 1 2.246 3 3 -7.51200301481903 2185057 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C(C)(C)C 1 2.343 3 4 0 -19.8395145852901 2185046 CC1=CC=C(C=C1)CNC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 4.661 1 1 -5.87369147696868 2185044 C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C3=NC4=CC5=CC=CC=C5C=C4N3 1 4.798 3 2 2.68887699940287 2185032 CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CS2)OC 1 3.953 3 3 -21.9739817412257 2185018 CCOC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)N3C(=CC=C3C)C 1 4.595 2 2 -6.1818867119445 2185008 CC(C)(C)NC(=O)CSC1=NN=C(N1C)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3F 1 3.389 5 2 0 -19.9980719865658 2184980 CC1=C(/C(=C/C2=CC=CS2)/C(=O)N1CC=C)C(=O)OC 1 2.26 1 3 -15.0799187019978 2184970 CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCOCC3 1 2.651 1 5 -14.8347591934803 2184957 CC1=CC(=C(C=C1)OCCCN(C)C)Br 1 3.249 1 1 2.81816124397172 2184881 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C3=CC=C(C=C3)C)NCC4=CC=CO4 1 5.242 2 5 0 -10.3856165504723 2184847 CC(C)(C)C1=CC=CC=C1OCCOCCSC2=NC=CC=N2 1 4.015 2 2 -3.55171401585792 2184843 C1=CN=C(N=C1)SCCOC2=CC=C(C=C2)Cl 1 3.41 2 1 5.09067105815092e-002 2184820 CCCSC1=N/C(=C\C=C\C2=CC=CO2)/C(=O)S1 1 4.143 1 2 -4.11418212769829 2184814 CC1=NC2=C(C=CC=C2OCCOCCOC3=CC=CC=C3C(=O)OC)C=C1 1 3.639 1 5 -8.37475452806692 2184789 CC1=CC(=CC=C1)OCCOCCSC2=NC=CC=N2 1 3.101 2 2 -3.33595688258057 2184778 CCCSC1=N/C(=C\C2=CSC=C2)/C(=O)S1 1 3.942 1 1 -11.8514289500358 2184577 C1COCCN1CCCNC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 0.856 3 4 0 -15.9616571552483 2184562 CC1=CC(=C(C=C1)OCCSC2=NC=CC=N2)C 1 3.718 2 1 -0.408011295893871 2184557 C1=CC=C2C(=C1)C=CC=C2OCCSC3=NC=CC=N3 1 3.654 2 1 -1.53235831122182 2184494 CN(CCOCCOC1=C(C=C(C=C1)Cl)Br)CC2=CC=CC=C2 1 4.817 1 2 5.23018847518288 2184459 CC1=CC(=C(C(=C1)OCC(=O)NCCN(C)C)C)C 1 2.47 2 2 -5.360058292081 2184400 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3C=NO)CCC#N 1 3.75 4 1 5.99065203810352 2184379 C1=CC=C(C=C1)OCCOC2=CC=CC=C2C=NN3C=NN=C3 1 2.66 4 2 1.57988426666136 2184370 COC1=C(C=CC(=C1)C=NNC(=O)C2=CN=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F 1 2.856 3 5 0 -16.3074869388881 2184346 CN(C)C1=CC=C(C=C1)/C=C(/C(=O)NCC2=CN=CC=C2)\NC(=O)C3=CC=CC=C3 1 2.589 4 2 -23.0921449198152 2184325 CCN1C(=O)/C(=C\C2=CN(N=C2C3=CC=C(C=C3)F)CCC#N)/SC1=S 1 4.177 4 1 -4.64241424120013 2184308 C1=CC=C(C(=C1)CC(=O)ON=C(C2=CC=CC=N2)N)[N+](=O)[O-] 1 1.594 4 4 0 -4.03787466635868 2184268 CN(CCCOC1=CC=CC=C1Br)CC2=CC=CC=C2 1 4.346 1 1 5.33795907946159 2184248 C1=CC=C(C(=C1)CC(=O)ON=C(C2=CC=C(C=C2)Br)N)[N+](=O)[O-] 1 3.064 3 4 0 -1.208872118721 2184244 CC1=CC(=C(C=C1)OCC(=O)NCCO)Br 1 1.568 1 3 0 -8.12701055129737 2184164 COC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(O2)Br)/C#N 1 2.868 2 3 -15.9529986371803 2184170 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NN=CC3=CC=CO3 1 3.117 3 4 0 -15.5712145624805 2184172 C1=CC(=CC=C1C2=NN(C=C2C=NO)CCC#N)F 1 2.437 4 1 5.18085503770835 2184180 C1=CC=C2C=C(C=CC2=C1)NCC(=O)NN=C/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 3.506 4 3 0 -3.31350289415412 2184187 COCCNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC 1 0.768 2 6 0 -15.6660495567973 2184138 C1=CC=C(C=C1)SCCNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 3.59 2 3 -8.2115654444682 2184087 CC1=CC=C(C=C1)SCCOC2=C(C=C(C=C2)C=O)OC 1 4.233 0 3 -5.81029390698922 2184018 CC1=C(C=CC(=C1)OCC(=O)NCCCOC)Cl 1 1.955 1 3 0 -11.1173349599148 2183977 COC1=C(C=C(C=C1)C(=O)NCCCN2CCOCC2)OC 1 0.894 2 4 0 -14.3611834785994 2183955 COC1=CC=C(C=C1)OCCSCC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)Cl 1 4.018 4 3 0 -9.20145273573456 2183921 CC1=C(C=CC(=C1)OCC(=O)NCCO)Cl 1 1.484 1 3 0 -7.51794097685207 2183889 CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CSCCOC3=CC=C(C=C3)Cl 1 4.521 4 2 -8.64320995539086 2183872 COC1=C(C=C(C=C1)C(=O)NCCCC2=CC=CC=C2)OC 1 3.366 1 3 -13.2071456712461 2183861 C1=CC(=CC(=C1)Cl)NC(=O)NC2=NN=C(S2)CSCCOC3=CC=C(C=C3)Cl 1 4.699 4 2 -7.29841402262699 2183851 C1=CC=C(C=C1)CCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.293 2 3 -11.7638347245991 2183846 CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C41 1 4.613 2 4 -5.46282332615734 2183703 COC1=CC=C(C=C1)OCCCSC2=NC=CC=N2 1 2.792 2 2 -2.18333688617598 2183668 C1=CN=C(N=C1)SCCCCOC2=CC=C(C=C2)Cl 1 4.053 2 1 -0.95099517555683 2183617 COC1=CC=C(C=C1)OCCSC2=NC=CC=N2 1 2.729 2 2 -2.32933476034901 2183582 COC1=CC(=CC=C1)OCCCCSC2=NC=CC=N2 1 3.372 2 2 -3.87296002898865 2183437 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(O2)Br 1 1.883 1 4 0 -9.80495136690069 2183366 CCCSC1=N/C(=C\C2=CC=C(O2)[N+](=O)[O-])/C(=O)S1 1 3.694 2 4 -8.42337346437763 2183360 CCC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)OC(=O)C4=CC=CS4)OCC)/C(=O)NC2=O 1 5.307 2 6 0 -13.3672874189965 2183264 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)Br 1 4.096 1 2 0.31083378352212 2183124 C1=CC(=CC=C1OCC(=O)NCCO)Br 1 1.082 1 3 0 -8.12394882375746 2183053 C1=CC=C(C=C1)CCNCCOC2=CC=CC=C2 1 3.321 1 1 2.74920766958834 2182882 C1=CC=C(C=C1)CCNCCCOC2=CC=CC3=CC=CC=C32 1 4.291 1 1 2.7718791890322 2182824 CCCSC1=N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)S1 1 4.048 1 3 -12.0218342983277 2182821 CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)OC(=N2)C3=CC=C(C=C3)C(C)(C)C)Cl)OS(=O)(=O)C 1 5.268 1 6 0 -12.7477757785802 2182781 CCOC1=CC=C(C=C1)OCCCCN(C)C 1 2.927 1 2 0.615997154908344 2182759 COC1=C(C(=CC(=C1)/C=C/2\C(=O)OC(=N2)C3=CC=CC=C3F)Cl)OS(=O)(=O)C 1 3.724 1 6 0 -14.2534631126996 2182758 CC1=CC(=C(C(=C1)OCC(=O)NCC=C)C)C 1 2.948 1 2 -9.71530681791227 2182487 CN(CCOCCOC1=CC2=CC=CC=C2C=C1)CC3=CC=CC=C3 1 4.313 1 2 4.02122392476419 2182451 COC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC(=CC=C3)OC(=O)C4=CC=CS4)/C(=O)NC2=O)Cl 1 4.68 2 6 0 -11.5302298748691 2182399 CS(=O)(=O)OC1=CC=CC=C1/C=C/2\C(=O)OC(=N2)C3=CC=C(C=C3)F 1 3.076 1 5 -10.7735832527886 2182306 CS(=O)(=O)OC1=C(C=C(C=C1)Br)/C=C/2\C(=O)OC(=N2)C3=CC=CO3 1 3.014 1 6 0 -7.63392588856754 2182301 C1=CC=C(C=C1)C(CC(=O)NCCO)C2=CC=CC=C2 1 2.273 1 2 -12.6468514248079 2182284 CC1=NC2=C(C=CC=C2OCCOCCOC3=CC=CC=C3Br)C=C1 1 4.532 1 3 -3.11259949454444 2182132 CCCOC1=CC=C(C=C1)C(=O)N2CCCC3=CC=CC=C32 1 4.207 1 2 -8.78265728452476 2181873 CCOC1=CC=C(C=C1)OCCCN(C)C 1 2.347 1 2 1.01336147462384 2181801 CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 3.409 2 4 -2.73379123478009 2181764 CCCOC1=C(C2=CC=CC=C2C=C1)C=NN3C(=NN=C3N4C(=CC(=N4)C)C)C 1 4.266 6 1 0 -0.83541004828989 2181761 C1=CC(=CC(=C1)Cl)C(=O)NCCO 1 1.163 1 2 0 -4.50330667949982 2181652 CC1=CSC2=NC(=O)/C(=C/C3=CC(=CC=C3)OC(=O)C4=CC=CO4)/C(=N)N12 1 3.153 3 4 0 -16.9632577411648 2181642 C1=CC=C(C=C1)CCCNC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 3.328 2 3 -14.9760323449074 2181587 CCOC1=CC(=CC=C1)OCCOCCN(C)CC2=CC=CC=C2 1 3.737 1 3 -9.25902113456631e-002 2181493 CC1=NC2=C(C=CC=C2OCCOCCOC3=CC=C(C=C3)C(=O)OC)C=C1 1 3.639 1 5 -7.67375503643345 2181475 CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)OC(=O)C4=CC=CS4)/C(=O)NC2=O 1 4.518 2 5 0 -9.88559943064818 2181395 C1=CC=C(C=C1)CNCCCOC2=CC=CC=C2[N+](=O)[O-] 1 2.956 2 3 -3.19707813606912 2181154 C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4 1 3.26 3 3 -22.3371299953859 2181119 C1=COC(=C1)/C=C/C(=O)NCCCC(=O)O 1 0.951 1 4 0 -14.8002983393016 2181114 CCN1C(=O)/C(=C/C2=CC=CS2)/N(C1=S)C 1 2.874 2 1 -3.37214270378696 2181107 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=O)/C=C(\C3=CC=C(C=C3)OC)/O 1 1.497 3 5 0 -13.1050814981183 2181102 C1=CC(=CC=C1C(=O)/C=C/NC2=CC(=C(C=C2)F)F)Br 1 4.202 1 1 1.51880901763791 2181065 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F 1 4.616 2 3 -6.87747079347185 2181057 CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CS2)OC 1 4.402 3 3 -21.8944296486021 2181028 CC(=O)NC1=NN=C(S1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 1.439 4 4 0 -26.1619660958028 2180987 CCOCCCNC(=O)C1=CC=CS1 1 1.271 1 2 0 -13.5283480579043 2180928 CCOC(=O)C(=O)NC1=NN=C(S1)C2CCCCC2 1 2.161 3 3 -7.08917696793164 2180881 CCC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CSC=C3)/C(=O)NC2=O 1 3.251 2 3 -4.60546265319217 2180838 CCOCCCNS(=O)(=O)CC1=CC=CC=C1 1 1.028 1 3 0 -13.4818908944075 2180822 COCC1=NN=C(S1)NC(=O)CCCOC2=CC=CC=C2 1 1.49 3 3 0 -13.8883049559391 2180801 CC1=CC=C(C=C1)OCCN2C(=O)/C(=C/C3=CC=C(O3)C)/SC2=O 1 3.807 1 4 -1.51038300537954 2180796 CC(C)(C)CC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC 1 2.68 4 5 0 -16.9588239187694 2180784 C1CCC(CC1)NC(=O)NC2=C(C(=C(C(=C2F)F)F)F)F 1 3.832 2 1 -6.40869899988712 2180781 COC1=CC=C(C=C1)/C=C(/C(=O)OC)\NC(=O)C2=CC=CO2 1 2.021 1 5 -10.9159716910987 2180763 CCOC(=O)/C(=C/C1=CC=CC=C1)/NC(=O)C2=CC=CO2 1 2.386 1 4 -11.1096191230997 2180753 CC1=CC=C(C=C1)C(=O)COC2=CC=CC=C2C3=CC=CC=C3 1 5.074 0 2 -1.7037750658598 2180736 CC(=O)NC1=CC=C(C=C1)N/C=C/C(=O)C2=CC(=CC=C2)OC 1 2.147 2 3 -4.70231029718731 2180728 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(/C(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O)\NC(=O)C3=CC=CO3 1 1.55 4 8 0 -25.8503558349543 2180719 CC(C)C1=NN=C(S1)NC(=O)CC2=CC=C(C=C2)OC 1 2.497 3 2 -11.2155395091133 2180707 CCOCCCNC(=O)N1CCOCC1 1 -0.457 2 3 0 -16.1946002057917 2180669 C1CCN(C1)C2=NC(=O)N(C2)C3=CC=CC=C3 1 1.549 3 1 0 -2.87398951750962 2180657 CCCCCCNC1=C(C(=O)OC(=C1)C)C(=O)C 1 2.003 1 3 -9.23651380826849 2180478 C1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=CO2 1 1.396 1 5 0 -15.4852411328304 2180452 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CO3)/N(C2=S)C 1 3.876 2 3 -3.85254392849579 2180430 CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 4.807 2 4 -10.8259765022832 2180355 CN1/C(=C\C2=CC(=C(C=C2)OCC3=CC(=CC=C3)F)OC)/C(=O)N(C1=S)C 1 4.328 2 3 -6.14406523272305 2180260 COC1=CC=C(C=C1)N2C(=O)/C(=C/C=C/C3=CC=CC=C3[N+](=O)[O-])/C(=O)NC2=S 1 3.891 3 5 0 3.54048060347009 2180124 C1=CC=C(C=C1)COC(=O)/C(=C/C2=CC(=CC=C2)Br)/NC(=O)C3=CC=CO3 1 4.369 1 4 -8.66410366546344 2180101 CCOCCCNC(=O)C1=CC=C(C=C1)Br 1 2.066 1 2 -11.7892300485866 2180088 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CS3)/N(C2=S)C 1 4.434 2 2 -5.26930881250456 2180086 CCOCCCNC(=O)C1=CC=C(C=C1)OC(=O)C 1 1.086 1 4 0 -14.2307953471331 2180085 CCOCCCNC(=O)CSC1=CC=CC=C1 1 1.711 1 2 0 -14.864693471682 2180067 CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)CC(C)C)OC 1 4.16 3 3 -21.7579157624564 2180056 CC(C)(C)C1=CC=C(C=C1)C2=NN(C=C2C=NO)CCC#N 1 3.632 4 1 7.04711216135441 2179984 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NCC3=CC=CO3 1 3.199 2 3 -19.5527455835543 2179971 CCOC(=O)CSC1=NC(=CC(=N1)C)C 1 1.735 2 2 0 -12.8114786100201 2179957 C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O 1 6.097 2 2 -8.15267977861018 2179906 CCCOC(=S)NC(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2 1 4.648 2 3 -11.7113459653131 2179893 COC1=CC=C(C=C1)C2=CC=C(O2)/C=C(/C(=O)N3CCOCC3)\NC(=O)C4=CC=CC=C4 1 3.077 2 5 0 -15.769580845958 2179888 C1CCN(C1)C(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CC=C3 1 2.615 2 2 -18.3718640765662 2179734 COC1=CC=C(C=C1)N2C(=O)CC(=O)NC2=O 1 0.719 2 4 0 -7.06836405475564 2179730 C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl 1 1.399 2 3 0 -4.83339915502468 2179721 CC1=CC=CC=C1N2C(=O)CC(=O)NC2=O 1 1.221 2 3 0 -7.71982594170687 2179826 C=CCN1C(=O)N(C(=O)N(C1=O)CCC#N)CCC#N 1 0.532 5 3 0 -11.1452181456802 2179781 C1CCC(CC1)NC(=S)NCCO 1 1.976 2 1 0 -10.2101552950885 2179738 CN1C(=O)C(C(=O)N(C1=O)C)CC2=CC3=C(C=C2)OCO3 1 1.083 2 5 0 -8.71000226255934 2179659 C1=CC=C(C=C1)COC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3 1 3.515 2 6 0 -13.4674438690709 2179707 COC(=O)CC1(C(=O)NC(=O)NC1=O)CC(=O)OC 1 -1.36 2 7 0 -11.7383775867865 2179620 CC1=CC(=C(C(=C1C)S(=O)(=O)NCCN2CCOCC2)C)C 1 2.512 2 3 -7.25578200547125 2179616 CCS(=O)(=O)NCCCCC1=CC=CC=C1 1 2.33 1 2 -7.54309749021067 2179577 CC(C)OC(=O)/C(=C/C1=CC=C(C=C1)Br)/NC(=O)C2=CC=CO2 1 3.512 1 4 -13.1569954491642 2179534 COC1=CC=CC(=C1)C(=O)/C=C/NC2=CC(=CC=C2)O 1 2.784 1 3 0.5515598771136 2179532 C1=CC=C(C=C1)/C=C\C=C(\C(=O)NCC2=CC=CO2)/NC(=O)C3=CC=C(O3)Br 1 3.191 2 4 -14.8997751963793 2179508 CCOCCCNC(=O)C1=CC=C(C=C1)OC 1 1.302 1 3 0 -12.4964922545811 2179503 COCC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 1.576 3 2 0 -14.1089444591512 2179475 CCCN1/C(=C/2\C(=O)N(C(=S)S2)CC)/C=CC3=CC=CC=C31 1 4.349 2 1 -3.77386474521423 2179404 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.358 3 4 0 -10.0167047168252 2179340 CN1/C(=C\C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)/C(=O)N(C1=S)C 1 4.344 2 2 -2.45593764204736 2179329 CCN1C(=O)/C(=C\2/C=CC3=CC=CC=C3N2C)/OC1=S 1 2.918 2 2 -1.3723949911627 2179309 CCCCC(=O)NC1=C(C=C(C=C1)NC(=O)CC)OC 1 2.3 2 3 -15.3311187737435 2179291 CC1=CC2=C(C=C1C)SC(=N2)N3C(=O)CNC3=S 1 3.313 3 1 -3.75890590284099 2179287 CN1/C(=C\C2=CC=CC=C2OCC3=CC=C(C=C3)F)/C(=O)N(C1=S)C 1 4.344 2 2 -1.31305385574623 2179260 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C)/N(C2=S)C 1 4.021 2 3 -4.08817131111586 2179252 C/C=C/N1C2=CC=CC3=C2C(=CC=C3)N(C1=O)CC=C 1 3.116 2 1 -4.81965730220623 2179242 CCOCCCNS(=O)(=O)C1=CC=C(C=C1)Br 1 1.769 1 3 0 -9.65659774558393 2179207 CN1/C(=C\C2=CC=CS2)/C(=O)N(C1=S)C3=CC=CC=C3 1 4.102 2 1 -4.44881687331941 2179193 C1CCC(CC1)C2=NN=C(S2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.073 4 4 0 -7.56078397550873 2179135 COC(=O)/C(=C/C1=CC=CO1)/NC(=O)C2=CC=CO2 1 1.432 1 5 0 -10.1569615495326 2179126 C1=CC=C(C=C1)/C=C(/C(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O)\NC(=O)C3=CC=CO3 1 1.656 3 6 0 -23.6712491548553 2179084 CN1/C(=C\C2=CC=C(C=C2)OCC3=CC=CC=C3F)/C(=O)N(C1=S)C 1 4.344 2 2 -4.04355829037961 2179064 CCOCCCNC(=O)CCCOC1=CC=CC=C1 1 1.723 1 3 0 -17.2816669178673 2179046 CCOCCCNC(=O)C1=CC=CC=C1Br 1 2.066 1 2 -12.0055553238123 2179026 CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)/C=C/C3=CC=CO3)C 1 4.234 2 3 -8.48452296427445 2179018 C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)COC3=CC=C(C=C3)Br 1 4.199 3 3 -8.30053591181109 2178964 CCOCCCNC(=O)C1=CC2=C(C=C1)OCO2 1 1.086 1 4 0 -14.4518076526368 2178951 CN1/C(=C\C2=CC(=C(C=C2)O)[N+](=O)[O-])/C(=O)N(C1=S)C 1 2.224 3 4 0 -0.729924586489762 2178931 CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C 1 4.168 3 2 -9.02044771980879 2178929 CCN1C(=O)/C(=C/C2=CC=C(O2)C)/N(C1=S)C 1 2.461 2 2 -2.19100520239827 2178925 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3 1 3.089 4 4 0 -5.48237476306884 2178904 CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)CC)OC 1 3.452 3 3 -18.5241996341912 2178859 CC(C)(C)C1=CC=C(O1)C(=O)NC2=CC=C(C=C2)NC(=O)C(=O)O 1 2.597 2 5 0 -7.1252310848964 2178819 CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3 1 3.937 3 3 -7.67142629468246 2178805 CCOC(=O)/C(=C/C1=CC=C(C=C1)Cl)/NC(=O)C2=CC=CO2 1 3.05 1 4 -9.0182823889037 2178782 CC1=CC(=C(C(=C1C)S(=O)(=O)NCCCN2CCOCC2)C)C 1 2.574 2 3 -7.56935119975645 2178739 CN1/C(=C\C2=CC=CO2)/C(=O)N(C1=S)C3=CC=CC=C3 1 3.543 2 2 -3.03205198931065 2178710 COC(=O)/C(=C/C1=CC=CC=C1)/NC(=O)C2=CC=CO2 1 2.037 1 4 -10.9411163744732 2178563 CC1=CC=C(C=C1)OCCSC2=NC(=NC(=C2)C)N 1 3.307 3 1 -1.65675512088951 2178534 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC 1 2.206 3 7 0 -19.2386054188347 2178533 C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC=CC=N3 1 1.777 3 2 0 -3.61770442468931 2178528 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NCCSCC2=C(C=CC=C2Cl)Cl 1 4.926 2 3 -11.6826729942673 2178490 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C=C3C=C4C(=O)NC(=O)NC4=O)CCC(=O)O 1 1.221 4 7 0 -11.952018551843 2178480 CCOC(=O)C1=C(N=C(S1)NCCNC2=NC(=C(S2)C(=O)OCC)C)C 1 1.701 4 4 0 -9.33139287724298 2178469 COC1=CC(=C(C=C1)N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)C3=CC=CC=C3)OC 1 3.878 2 5 0 -21.2293382340221 2178457 CC1=CC=C(C=C1)SCCNC(=O)/C=C/C2=CC=C(C=C2)Cl 1 4.846 1 1 -3.37200374120804 2178443 C1=CC(=CC=C1/C=C/C(=O)NCC2=CC=NC=C2)Cl 1 2.603 2 1 -4.04135103365291 2178409 CC(C)(CO)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(C2=NO)C=C(C=C3)S(=O)(=O)NC(C)(C)CO 1 0.898 3 7 0 -11.0699918287955 2178387 CCNC1=NC(=NC(=N1)OCCNS(=O)(=O)C2=C(C=CC(=C2)C)C)N(C)C 1 2.251 6 3 0 -10.5501390766118 2178367 C=CCNC1=NC(=NC(=N1)N2CCCC2)NCCO 1 0.261 6 1 0 -3.9524626308691 2178358 CC1=C(/C(=C\C2=CC=C(O2)CNS(=O)(=O)C3=CC=CC=C3)/C(=O)N1CCCOC)C(=O)OC 1 1.589 2 7 0 -16.5228793505034 2178338 C1=CC=C(C=C1)/C=C/C(=O)NCCOC2=CC=CC=C2 1 3.138 1 2 -7.02543900035464 2178327 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)/C(=C/C3=CC=CC=N3)/S2 1 3.118 3 3 -5.21579797696967 2178309 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54 1 7.169 3 1 0.393166925730595 2178291 COC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=NC=C3)/SC2=S 1 3.463 2 2 -3.89434311878487 2178268 CC1=CC(=CC=C1)OCCNC(=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 5.553 2 5 0 -3.14589819212532 2178261 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2 1 2.069 2 3 -9.47237056302559 2178197 CCC1=CC(=O)OC2=C1C=CC(=C2C)OCC=C 1 3.889 0 3 -6.20889383899236 2178158 COC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=CO3)/C(=O)NC2=O 1 2.032 2 5 0 -1.81797315873909 2178138 COC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C(=CC=C3)OC)OC)/C(=O)NC2=O 1 2.604 2 6 0 -3.27348140277277 2178133 COC1=CC=CC=C1N2C(=O)/C(=C/C3=CC=CS3)/SC2=O 1 3.661 1 3 -4.92416923404762 2178077 C1=CC=C(C(=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)O)[N+](=O)[O-])/SC2=O)Cl 1 4.041 2 5 0 2.06783635585499 2178062 C1=CSC(=C1)SCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.828 2 3 0 -15.2090283237144 2178035 COC1=CC=CC=C1/C=C/C(=O)NCC2=CC=CC=N2 1 2.137 2 2 -8.45416142975877 2178024 COC1=C(C=C(C=C1)C2=NN(C=C2/C=C\C(=O)N3CCOCC3)C4=CC=CC=C4)[N+](=O)[O-] 1 3.45 4 5 0 0.49459637189166 2178015 COC1=C(C=C(C=C1)N(CC(=O)NCCSCC2=C(C=CC=C2Cl)F)S(=O)(=O)C)OC 1 3.041 2 5 0 -23.5764577105851 2178012 CN(CC1=CC=CC=C1)C2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.567 4 2 4.66377289465817 2177984 COC1=CC=C(C=C1)N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)C 1 2.317 2 4 -19.3316404606359 2177963 CC(C)NC(=O)C1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)OC 1 2.368 2 4 -17.3208877274985 2177962 C1CCC(CC1)SCCNC(=O)C2=CC=CC=C2 1 3.51 1 1 -9.27626331813188 2177899 C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(S3)Br)/NC2=O 1 3.04 2 2 -0.638600122206412 2177894 CC(=O)NC1=NN=C(S1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 1.969 4 4 0 -17.6744165592006 2177892 CC1=CC=CC=C1CSCCNC(=O)COC2=CC=C(C=C2)Cl 1 4.221 1 2 -9.85207111669579 2177883 CC1=CC=CC=C1CSCCNC(=O)NC2=CC=CC=C2 1 3.629 2 1 -9.91263124816946 2177873 CCN1C(=O)/C(=C/N(C2=CC=CC=C2)C(=O)C)/N(C1=S)C3=CC=CC=C3 1 3.451 3 2 -4.51888538228387 2177839 CC1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C3)C5=CC=CC=C5C4=N2 1 4.455 2 1 -5.46942258665176 2177821 C1=CC=C(C=C1)NC(=O)NCCSCC2=C(C=CC=C2Cl)F 1 4.013 2 1 -10.4735287667165 2177751 CC1=CC(=C(C=C1)C)N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)C 1 3.306 2 3 -19.595219966839 2177741 COC(=O)CN1C(=O)/C(=C\C2=CC=C(O2)N3CCCCC3)/SC1=O 1 2.454 2 5 0 -4.04580986471849 2177724 CC1=CC(=CC=C1)NC(=S)NCC2=CC=CS2 1 4.321 2 0 -7.96598195598509 2177721 CC1=CC=CC=C1NC(=S)NCCO 1 2.459 2 1 -9.77521419303605 2177703 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)C3=CC(=C(C=C3)OC)OC 1 4.364 2 5 0 -22.7674200583358 2177684 CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)F)F 1 3.526 2 3 -5.66380155217131 2177616 CS(=O)(=O)NCCSCC1=C(C=CC=C1Cl)Cl 1 2.69 1 2 -7.24807395543615 2177614 CC1=CC=CC=C1CSCCNS(=O)(=O)C 1 1.848 1 2 0 -8.08180817263729 2177604 COC1=C(C=C(C=C1)N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)C)OC 1 2.301 2 5 0 -22.4763714390252 2177601 C1=CC=NC(=C1)CCNC(=S)NC2=CC=C(C=C2)F 1 3.613 3 0 -9.21898712990228 2177567 CC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CN=C(N=C3)C4=CC=CC=C4)/C(=O)NC2=O)C 1 3.46 4 3 0 3.35470670372056 2177557 CCOC(=O)C1=C(C=CC(=C1)NC(=O)/C=C\C(=O)O)Cl 1 2.062 1 5 -8.56635495282528 2177522 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NCC3=CN=CC=C3 1 3.555 4 2 -14.4134906938921 2177519 COC1=CC=C(C=C1)CCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C 1 1.789 3 6 0 -18.5262842857246 2177491 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCSCC3=C(C=CC=C3Cl)Cl 1 4.053 1 4 -10.7175300359077 2177456 CS(=O)(=O)N(CC(=O)NCCSCC1=C(C=CC=C1Cl)F)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.968 3 5 0 -23.1246237860535 2177431 CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)/C=C\C(=O)O)N3CCCCC3 1 3.544 3 4 0 -6.06843293814547 2177411 CCCCCCC(=O)NN=CC1=CC=C(C=C1)Br 1 4.259 2 1 -9.19630687066782 2177344 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCCC3=NC4=CC=CC=C4N3 1 2.93 3 4 0 -13.2012460518366 2177261 C1CCCN(CCC1)CC2=CC(=C(C=C2)Cl)Cl 1 5.061 1 0 5.15134118865167 2177242 CCOP(=O)(C1=C(OC(=N1)C2=CC=CC3=CC=CC=C32)NCC4=CC=CC=C4)OCC 1 4.556 2 4 5.3196144494019 2177231 CC1=CC(=C(C=C1)OCC(=O)NCCOC)C 1 1.714 1 3 0 -10.3535499162226 2177226 COCCCN1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 2.63 2 2 -4.93221777466564 2177195 CC(=O)N1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)NC3=O 1 1.147 3 4 0 -1.57755079158768 2177194 CC(C)OC(=S)NC(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2 1 4.502 2 3 -13.3461295720334 2177174 CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC(=O)O)C2=CC=CC=C2 1 2.417 2 4 -8.31325414534603 2177140 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NCC3=CC=CO3 1 2.713 2 3 -20.4457873775885 2177060 CN(C)C(=O)/C=C\C1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4 1 3.671 3 3 7.4159172772972 2177065 COC1=CC=C(C=C1)CC2=NN=C(S2)NS(=O)(=O)C3=CC=CC=C3 1 2.735 3 3 -9.7753355660404 2177031 C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)NC3=CC=CC=N3 1 4.079 3 2 -5.98490677690308 2176997 C1=CC=C(C=C1)/C=C(/C(=O)NCC2=CN=CC=C2)\NC(=O)C3=CC=CC=C3 1 2.427 3 2 -20.8958338203351 2176994 C1=CC=C(C=C1)C(=NCC(=O)O)NS(=O)(=O)C2=CC=CC=C2 1 1.931 2 4 0 -9.50229524663043 2176976 CCOC(=O)C1=CC=C(C=C1)OCCOC2=CC=CC=C2C 1 4.136 0 4 -4.1052675636527 2176952 CC1=CC=CC=C1CSCCNC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3 1 4.415 2 3 -17.5195143567499 2176920 C1COCCN1CC2=CC=C(C=C2)C(=O)NCCSCC3=C(C=CC=C3Cl)F 1 3.866 2 2 -11.327980208049 2176879 CC1=CC=CC=C1CSCCNC(=O)C2=CC=C(C=C2)OC 1 3.705 1 2 -10.5739683708284 2176795 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NCC(=O)C3=CC=CC=C3 1 4.378 3 3 -13.0888536857892 2176777 CC1=CC=CC=C1CSCCNC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3 1 4.25 2 4 -21.1552816987203 2176767 C1=CC=C(C=C1)CCNC(=O)C(=O)C2=CNC3=CC=CC=C32 1 3.122 2 2 -5.96418761745814 2176764 C1=CC=C2C(=C1)C=CC(=C2/C=C\3/C(=O)N=C(S3)N)OS(=O)(=O)C4=CC=C(C=C4)Cl 1 4.704 2 4 -2.02342369489378 2176760 C1=CC=C(C=C1)C(=O)CNC(=S)NC(=O)C2=CC=C(O2)Br 1 3.13 2 3 -11.0662560071225 2176652 CC1=CC=C(C=C1)CSCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C 1 2.584 3 5 0 -20.3482280975501 2176635 CC1=CC=C(C=C1)CSCCNC(=O)/C=C/C2=CC=C(C=C2)Cl 1 4.853 1 1 -6.22032921933511 2176608 C1COCCN1C2=CC=C(O2)/C=C/3\C(=O)N(C(=O)N3)C4=CC=CC=C4 1 1.888 3 4 0 -1.61642097493343 2176585 C1COC2=C(O1)C=CC(=C2)NC(=O)CSCC3=CC=CC=C3Cl 1 3.465 1 3 -13.9977496578196 2176580 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCSCC2=C(C=CC=C2Cl)Cl 1 3.387 2 3 -11.4059240133428 2176541 CC(C)(C)N1C=CC=C1/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=CC=C3 1 3.169 3 3 -2.48424697331742 2176422 COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=C(C=C3)Br 1 4.222 1 5 -15.9204327579341 2176412 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C=C3C=C4C(=O)NC(=S)NC4=O)CCC(=O)O 1 2.12 4 6 0 -10.0214964449872 2176514 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 2.924 2 5 0 -4.64307647492787 2176498 CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])/C(=O)N2 1 2.374 3 6 0 -2.79697768923829 2176483 CCN\1C2=CC(=C(C=C2S/C1=C\C=C(\C(=O)C)/C(=O)OCC)OCC)OCC 1 4.338 1 5 5.52396387799164 2176481 CCN\1C2=CC(=C(C=C2S/C1=C\C=C(/C(=O)C)\C(=O)OCC)OCC)OCC 1 4.338 1 5 5.52396387799164 2176456 C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3/C=C\C(=O)N)C4=CC=CC=C4 1 3.259 3 3 9.8818955611837 2176450 CC1=CC=C(C=C1)C2=NN=C(O2)SCC#C 1 3.891 2 1 -6.72609802700085 2176319 CC1=CC=CC=C1CSCCNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-] 1 4.016 2 3 -16.0584729007804 2176343 CC1=CC=CC=C1CSCCNC(=O)C2=CC=CC=C2 1 3.721 1 1 -11.125062726206 2176363 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)C3=CC=C(C=C3)OC 1 4.38 2 4 -19.6226890799466 2176362 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=CS3 1 4.062 2 2 -22.5067973734031 2176354 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(S2)N 1 1.244 4 3 0 -15.5677184570394 2176315 CCN(C1=CC=CC=C1)C(=O)C(=O)C2=CNC3=CC=CC=C32 1 3.348 2 2 -2.71564808162308 2176259 COC1=CC=C(C=C1)C(=O)NCCSC2CCCCC2 1 3.493 1 2 -8.89358195976667 2176255 COC1=C(C=C(C=C1)N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)C3=CC=CC=C3)OC 1 3.878 2 5 0 -23.663429697572 2176251 COC1=CC=C(C=C1)CC2=NN=C(S2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.629 4 5 0 -10.9737237141615 2176189 CC1=CC=CC=C1CSCCNC(=O)CCSC2=CC=CC=C2 1 4.363 1 1 -13.3530914624615 2176129 CCOC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)OCC 1 3.061 2 5 0 -19.6414768813562 2176116 CS(=O)(=O)N(CC(=O)NCCC1=CC=CC=C1)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.805 3 5 0 -19.0255272078848 2176100 C1COCCN1C(=O)/C=C\C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 3.526 3 2 1.00510024652703 2176087 C1=CC=C(C=C1)N2C(=O)C=CC(=N2)OCCOC3=CC=CC=C3 1 3.313 2 3 -2.51280797733249 2176073 COC1=C(C=C(C=C1)CCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C)OC 1 1.773 3 7 0 -22.6642369183153 2176047 COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)C2=CNC3=CC=CC=C32 1 2.649 2 4 -4.0236276693224 2176031 CCNC1=NC(=NC(=N1)OCCNS(=O)(=O)C2=CC=CC=C2)NCC 1 1.422 6 3 0 -9.1697386190695 2175986 COC1=CC(=C(C=C1)OC)NC2=NC3(CCCCC3)N=C(N2)N 1 2.317 5 2 0 -1.22963836467577 2175967 C1=CC2=C(C(=C1)NC(=O)C3=CC(=C(C=C3Cl)F)F)N=CC=C2 1 3.876 2 1 -4.30517130344244 2175955 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CN=CC=C3 1 1.727 4 4 0 -8.12964336907974 2175947 CCC1C/C(=C\C2=CN=CC=C2)/C(=O)/C(=C/C3=CN=CC=C3)/C1 1 3.544 2 1 -1.28964857655055 2175895 CCCOC1=C(C2=C(C=C1)C(=CC(=O)O2)CC)C 1 4.144 0 3 -1.18403308703568 2175883 CC1=C(C=C(C=C1)OCCNC(=O)/C=C/C2=CC=CC=C2)C 1 4.11 1 2 -6.4300855115033 2175866 CC1=CC(=CC=C1)OCCNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 4.386 2 4 -8.03734793353025 2175797 CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F 1 5.369 3 0 -3.75023646772293 2175768 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC=C(C=C3)OC 1 2.861 3 5 0 -5.74685871423317 2175753 C1=CC=C2C(=C1)C=CC=C2C(=O)CSC#N 1 2.891 1 1 0.458031993587395 2175718 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2C3=CC=C(C=C3)F)O)C 1 4.297 3 4 0 -13.3753614141038 2175702 CCCCOC(=O)NC1=CC=CC=C1C(=O)N2CCOCC2 1 2.024 2 4 -14.3154660048464 2175621 CC1=C(C(=O)N=C(N1)SCC=C)CC(=O)OCC(C)C 1 2.627 2 3 -19.0796787715115 2175588 CS(=O)(=O)NCCSCC1=C(C=CC=C1Cl)F 1 2.231 1 2 -8.71372446167199 2175572 CC1=CC(=CC=C1)OCCSC2=NC(=NC(=C2)C)N 1 3.307 3 1 -0.704750235972362 2175559 CC1=CC2=C(C=C1)N(C(=C(C2=O)Br)C)CC3=CC=CC=C3 1 4.602 1 1 3.82597568027885 2175556 C1=CC(=CC=C1NC2=NC(=CS2)C3=C(C=C(C=C3)O)O)S(=O)(=O)N 1 1.908 3 4 0 6.14358013925935 2175550 CC1=CC=CC=C1CSCCNS(=O)(=O)C2=CC(=C(C=C2)OC)Br 1 4.156 1 3 -7.9206940785917 2175545 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)/C=C\3/C(=O)NC(=S)S3 1 3.08 2 6 0 -7.773294032437 2175517 COC1=CC=CC(=C1)C(=O)NCCSCC2=C(C=CC=C2Cl)F 1 4.088 1 2 -12.1774837443035 2175488 CCNC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.596 2 3 -13.5948875266654 2175467 CC1=CC=C(C=C1)SCC(=O)NCCC2=CCCCC2 1 4.245 1 1 -11.4797914314531 2175449 COC1=C(C=CC(=C1)/C=C/C(=O)NC(=O)C2=CC=CC=C2O)O 1 2.453 1 5 -0.38484364704538 2175392 C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=NN=C(S2)C(F)(F)F 1 2.034 4 4 0 -6.73169131176535 2175359 C1=CC=NC(=C1)CCNC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 4.35 3 0 -5.66244579226758 2175357 CC1=C(C(=CC=C1)N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)C)C 1 3.306 2 3 -19.6824028745829 2175294 CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=C(C=C3)Br 1 4.571 1 5 -17.4057805008568 2175336 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)/C=C\C(=O)O 1 4.695 2 3 16.0760767909893 2175334 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)OCN3C(=O)C4=CC=CC=C4C3=O 1 2.7 2 6 0 -14.01505513634 2175318 C1COCCN1C(=O)/C=C\C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5 1 3.358 3 4 0 3.35345539604124 2175305 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCSCC2=C(C=CC=C2Cl)Cl 1 4.944 2 3 -11.9231090452969 2175268 C1CCC(CC1)SCCNC(=O)CC2=CC=CC=C2 1 3.545 1 1 -11.1183851689706 2175242 C1=CC=C(C=C1)NC(=S)NCCSCC2=C(C=CC=C2Cl)Cl 1 6.038 2 0 -10.8200574422496 2175232 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCOC(=O)C3=CC=C(C=C3)F 1 2.391 2 4 -7.91760305751739 2175209 CC1=C(/C(=C/C2=CC=CO2)/C(=O)N1C3=CC(=C(C=C3)OC)OC)C(=O)OC 1 2.629 1 6 0 -10.6354838957833 2175198 CC1=C(C(=CC=C1)OC2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-])C 1 5.974 3 3 8.71812947116169 2175175 C1=CC=C(C=C1)CCCC(=O)NC2=NN=C(S2)C(F)(F)F 1 3.384 3 1 -9.59796248965466 2175085 COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 2.95 2 5 0 -8.65544652618295 2175077 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3 1 3.413 2 2 -9.06580511667495 2175075 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 2.87 3 4 0 -12.054134921898 2175071 COC1=C(C=C(C=C1)N(CC(=O)NC2CCCCCC2)S(=O)(=O)C3=CC=CC=C3)Cl 1 4.545 2 4 -18.2785771828882 2175057 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-] 1 2.07 3 6 0 -23.2808246211022 2175049 CC1=CC(=C(C=C1)C)N(CC(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)C 1 3.097 2 3 -10.9180735708435 2175028 C1CCCC(CC1)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.647 2 3 -14.5030192148856 2175015 CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CN3C(C)(C)C)/C(=O)NC2=O 1 3.655 3 3 -2.12554955165041 2175011 C1COCCN1C2=CC=C(C=C2)/C=C/3\C(=O)N(C(=O)N3)CC4=CC=C(C=C4)F 1 2.581 3 3 -3.099068359935 2174978 CC1=CC(=C(N1C)C)/C=C\2/C(=O)N(C(=O)S2)C3=CC=CC=C3OC 1 3.298 2 3 -4.36960650864026 2174949 CS(=O)(=O)N(CC(=O)NC1=C(C=C(C=C1)F)F)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.888 3 5 0 -14.7160361953957 2174924 CCCCOC1=CC=C(C=C1)NC2=NC3(CCCC3)N=C(N2)N 1 3.206 5 1 -0.989780550587173 2174887 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.423 2 5 0 -22.9644676917333 2174846 CCN1C(=O)/C(=C/C=C/2\N(C3=C(S2)C=CC4=CC=CC=C43)CCO)/SC1=S 1 4.897 2 2 2.91331445176929 2174842 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3F)NC4=CC=C(C=C4)O 1 4.423 3 1 7.79089898640446 2174841 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(F)(F)F 1 2.11 2 3 -15.4257588464999 2174814 CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.228 3 5 0 -21.6007703803142 2174794 C1CN(CCC1C(=O)N)C(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 1.928 3 4 0 -12.3780331495246 2174694 CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OS(=O)(=O)C3=CC=C(C=C3)Br 1 5.8 1 4 -15.8374840510812 2174683 C1=CC=C(C=C1)SCCNC(=O)/C=C/C2=CC=C(C=C2)Cl 1 4.36 1 1 -4.29516896652415 2174681 C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NC3=NC=CS3 1 1.791 3 2 0 -2.09896008196686 2174649 CC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.588 5 6 0 -13.8672744803165 2174643 CCCCNC(=O)/C(=C/C1=CC=CO1)/NC(=O)C2=CC=CO2 1 2.113 2 4 -19.5196791571732 2174636 CCOC(=O)C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C 1 4.136 0 4 -3.58585554419809 2174625 CC1=CC=CC=C1CSCCNC(=S)NC2=CC=CC=C2 1 5.195 2 0 -11.7248104299384 2174614 CCC1=CC=C(C=C1)N(CC(=O)NCC)S(=O)(=O)C 1 1.298 2 3 0 -14.6447763421657 2174599 C1CCN(C1)C2=CC=C(C=C2)/C=C/3\C(=O)N(C(=O)N3)C4=CC=CC=C4 1 3.142 3 2 -2.31623809915736 2174592 COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3)OC 1 2.559 2 6 0 -7.6199634201295 2174536 C1=CC=C(C=C1)C(=O)NCCOC(=O)C2=CC=NC=C2 1 1.391 2 3 0 -11.4464239205585 2174530 CCC1=CC=C(C=C1)OCCNC(=O)C2=C(C=CC(=C2)SC)Cl 1 4.818 1 2 -4.14406076011836 2174517 CC(=O)C1=C(C2=CC=CC=C2N1C)OC(=O)C3=CC(=CC=C3)Cl 1 4.457 1 3 -2.84628978461932 2174513 C1CCC(CC1)NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3 1 1.937 2 4 0 -13.1508629787948 2174511 CCC1=CC=C(C=C1)OCCNC(=O)C2=CC=CS2 1 3.566 1 2 -8.08340889533774 2174489 CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC4=CC=CC=C43 1 4.615 1 4 -16.3682089950186 2174484 CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.758 3 4 0 -15.8585088575928 2174479 CC1=C(C(=CC=C1)C)OCCNC(=O)C2=NC3=CC=CC=C3C=C2 1 4.257 2 2 -10.0759575806255 2174473 CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCCC3 1 3.911 1 4 -9.5769941700993 2174469 CCC1=CC=C(C=C1)OCCNC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)F 1 5.943 1 2 -12.708962491484 2174460 COC(=O)C1=CC=CC=C1NC(=S)NC(=O)COC2=CC=CC=C2Cl 1 4.121 2 4 -13.9160243951675 2174448 C=CCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC3=CC=CC=C32 1 3.348 2 2 -13.1607652647538 2174413 CCCCC(=O)NC1=CC(=CC=C1)NC(=O)C(C)C 1 2.779 2 2 -15.5168742845968 2174397 CCNC1=NN=C(S1)C2=CC=CC=C2OC 1 1.897 3 1 0 -5.16665302268257 2174396 CC1(COC(OC1)C2=CC=C(C=C2)Cl)C(=O)O 1 2.243 0 4 -1.44745228981641 2174387 CCN1CCN(CC1)CCCN2C(=O)C3=CC=CC=C3NC2=S 1 2.649 4 1 -5.18034605510033 2174342 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=NC(=O)NN2 1 1.511 4 4 0 -17.2278555661408 2174334 CC1=C(C=C(C=C1)OCCNS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)C 1 2.927 2 4 -14.8028227324346 2174325 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O 1 3.284 2 5 0 -15.6233036553382 2174324 CC1=NN=C(S1)SCC2=CC(=CC=C2)CSC3=NN=C(S3)C 1 3.549 4 0 -11.6073084755569 2174323 CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 2.247 4 3 0 -8.70942604741754 2174309 CC1=C(C(=CC=C1)C)NC(=O)C(=O)NCC2=CC=CC=N2 1 1.924 3 2 0 -12.9211956312643 2174275 CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NCC=C 1 2.925 2 2 -15.8716163873497 2174274 CC(C)(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NC3=CC=CC=N3 1 3.839 3 2 -21.676906390229 2174272 CC1(CC2=C(C(C3=C(N2CC(=O)O)CC(CC3=O)(C)C)C4=CC=C(C=C4)OCC#C)C(=O)C1)C 1 4.456 1 5 -24.786464126412 2174265 CCC1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=CC=N2 1 1.894 3 2 0 -11.5992347904044 2174263 C1=CC=C(C=C1)C(=O)NCCOC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N 1 2.576 2 5 0 -13.0870665128917 2174253 CC1(CC2=C(C(C3=C(N2CC(=O)O)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OCC#C)OC)C(=O)C1)C 1 4.44 1 6 0 -30.3089578212287 2174235 CCCCNC(=O)NC1=C(C=CC(=C1)C(=O)OC)C 1 2.616 2 3 -16.278643975617 2174177 C1CN(CCC1CC2=CC=CC=C2)C3=NC(=O)/C(=C\C4=C(NN=C4)C5=CC=CC=C5)/S3 1 5.319 4 1 6.54123310850363e-002 2174167 CCCNC(=O)N1CCN(CC1)C(=O)NCCC 1 0.533 4 2 0 -10.0727925350625 2174159 CCCCNC(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl 1 2.794 2 3 -13.9825366524328 2174082 C1=CC=C(C(=C1)NC(=O)CC2=CC=CS2)NC(=O)CC3=CC=CS3 1 3.375 2 2 -9.04244269840434 2174070 CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3)OC 1 1.974 2 4 0 -21.8459056268549 2174064 CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)S(=O)(=O)N3CCCC3 1 2.96 2 3 -19.8321355994421 2174062 CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCOCC3)OC 1 1.201 2 5 0 -23.7686705907986 2173953 CCCCNC(=S)NC(C)(C)CO 1 2.029 2 1 -12.3090896187886 2173902 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C3=CC=CO3 1 2.196 2 2 -4.99943570528005 2173856 CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2CCCCC2)[N+](=O)[O-] 1 2.939 2 6 0 -23.503689032672 2173787 CC1=CC=CC=C1OCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3 1 3.116 2 4 -6.87717233901139 2173759 C=CCNC1=NC(=NC(=N1)N2CCOCC2)NCCN3CCOCC3 1 -0.146 7 2 0 -7.57280364840614 2173756 C1=CC=C(C=C1)/C=C\C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.262 2 3 -6.48294456260616 2173751 CCN(CC)S(=O)(=O)CCP(=O)(CN1CCOCC1)O 1 -0.695 2 5 0 -11.4963746284621 2173748 CCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 3.256 1 4 -9.17071068607837 2173744 CCCNC1=NC(=NC(=N1)NCC)OC 1 1.386 5 1 0 -5.72319985983375 2173682 C1=CC=C(C(=C1)C(=O)O)OCCOC2=CC=CC=C2C(=O)O 1 2.705 0 6 -4.02703318489683 2173676 CCN(CC)S(=O)(=O)CCP(=O)(CCS(=O)(=O)N(CC)CC)O 1 -0.617 2 6 0 -9.18746050382656 2173675 COC1=C(C=C(C=C1)C(=O)/C=C/NC2=CC=C(C=C2)C(=O)OC)OC 1 2.865 1 5 -7.51130371850381 2173545 COC1=C(C=C2CN(CCC2=C1)CC3=CC=CS3)OC 1 3.269 1 2 -7.15721969676585 2173537 CCN1CCN(CC1)CC2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 1.872 3 4 0 -0.19960016219108 2173525 C1CCCN(CC1)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.835 2 2 2.33293334562797 2173523 COC1=CC(=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3F)OC 1 3.705 2 2 5.52415234244806 2173499 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCCC(=O)O 1 3.048 1 3 -16.294314612485 2173495 CC(=O)NC1=CC=CC=C1C(=O)C(=O)NC2=CC=CC=C2 1 1.62 2 3 0 -10.4996565657435 2173476 CN1CCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 0.99 4 5 0 -4.79318194436322 2173474 CCCCNC1=C(C(=O)OC(=C1)C)C(=O)C 1 1.091 1 3 0 -8.9830730474976 2173466 COC1=C(C=C(C=C1)CN2CCSCC2)O 1 2.077 1 2 6.18994329627943 2173376 CCC1=NN=C(S1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/SC2=S 1 3.052 4 4 0 -21.4567022165165 2173356 CCCC(=O)C1=C(C=C(OC1=O)C)NCCC 1 1.758 1 3 0 -11.8641095571017 2173301 CCC(=O)C1=CC=C(S1)CCCCCC(=O)O 1 3.549 0 3 -11.1605503468286 2173303 CC(=O)C1=CC=C(S1)CCCCCC(=O)OC 1 3.108 0 3 -13.7562829978526 2173288 COC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)C3=CC=CS3 1 1.261 4 4 0 -18.3737404516663 2173243 COC1=CC=CC(=C1)C(=O)COC(=O)CCC(=O)NC2CCCCC2 1 2.542 1 5 -20.6588044894748 2173195 COC1=C(C=C(C=C1)Cl)NC(=O)CCNC(=O)OCC2=CC=CC=C2 1 3.133 2 4 -11.7622656510056 2173163 CCCNC(=S)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4 1 5.298 6 0 -8.75496088152664 2173158 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCOCC3)OC 1 3.943 1 6 0 -13.7202546687714 2173139 COC1=CC(=CC(=C1)C(=O)NCCOC2=CC=CC=C2)OC 1 2.637 1 4 -9.76097817552882 2173128 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)OC(=O)C3=CC=CO3)OC(=O)C4=CC=CO4 1 5.073 0 8 0 -12.399544894931 2173119 C1=CC=C(C=C1)C2=NN(C=C2/C=C\C(=O)NC3=NC=CS3)C4=CC=CC=C4 1 4.253 4 1 6.20505677410104 2173091 CN1C=C(C(=N1)C(=O)OC2=C(C=C(C=C2)C(=O)OC)OC)Cl 1 2.843 2 5 0 -9.13189539163066 2173045 CC1=CC(=C(C=C1)NC(=O)C(=O)NCCOC2=CC=C(C=C2)Cl)C 1 3.573 2 3 -10.5314350573021 2173039 CC(=O)NC1=CC=C(C=C1)NC(=O)CN(C)CCC#N 1 5.5e-002 4 2 0 -11.8010973770672 2173026 COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCOC2=CC=C(C=C2)Cl 1 3.212 2 5 0 -8.04650025625974 2173003 COC1=CC=C(C=C1)C2=NN(C=C2/C=C\C(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4 1 4.869 3 4 0 6.02031097860398 2172999 C1COCCN1CCCNC(=O)C(=O)NCC2=CC=C(C=C2)Cl 1 0.864 3 3 0 -10.5473631267965 2172924 CCOC1=CC=C(C=C1)C(=O)/C=C/NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 3.21 3 5 0 -6.5130818659412 2172920 CC1=CC=C(C=C1)OCCNC(=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 5.553 2 5 0 -3.50339791818122 2172914 CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C 1 5.312 1 4 -14.3779355261664 2172862 CC1=CC(=C(C(=C1)C)COC2=CC=C(C=C2)C=NN3C(=NNC3=S)C)C 1 5.108 4 1 -5.50148136870691 2172803 CCCOC(=S)NC1=CC=CC=C1 1 3.837 1 1 -2.6367671863554 2172802 COC(=O)N(C1=CC=CC=C1)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 1 4.923 1 5 -4.19269183345847 2172690 C1=CC=C(C=C1)C=NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 3.389 3 2 -1.90835002141127 2172648 C1=CC=C(C=C1)CC(=O)NNC2=CC3=CC=CC=C3C=C2 1 3.58 2 1 -1.43735544938863 2172625 CC1=CC(=C(S1)C)C2C(=C(SC(=C2C#N)N)N)C#N 1 1.416 4 0 0 -3.52045988144318 2172605 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.73 3 3 -11.7801310921785 2172598 C1=CC(=CC=C1NC(=S)NC2=NN(C=C2Cl)CC3=C(C=C(C=C3)Cl)Cl)S(=O)(=O)N 1 5.365 5 2 0 -10.4974083055032 2172589 COCCCNC(=S)NC1=CC=C(C=C1)CC(=O)O 1 2.108 2 3 -16.6308055983997 2172576 COCCNC(=S)NC1=CC=CC=C1CC2=CC=CC=C2 1 4.355 2 1 -11.8168015015167 2172545 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=NC=CC=N3 1 2.293 5 1 -7.20145336133773 2172543 C1=CC=C(C(=C1)CC(=O)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 3.215 2 3 -11.5463787229595 2172541 CC(C)CCNC(=S)NC1=CC=CC=N1 1 3.481 3 0 -10.9152015757408 2172517 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC(=C2)OC)OC 1 2.551 2 5 0 -7.6948348695617 2172514 CCC1=CC=C(S1)C2C(=C(SC(=C2C#N)N)N)C#N 1 2.018 4 0 -1.85417080172104 2172498 CCN(CC)CCCNC(=O)C1=NN2C(=CC(=NC2=C1Cl)C3=CC=CC=C3)C(F)(F)F 1 4.62 5 1 -12.6167280168256 2172475 C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=CC=C2F 1 2.591 2 2 -0.457786254436747 2172464 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.703 5 6 0 -25.3147645724444 2172420 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)O)C)/SC2=O 1 4.067 3 5 0 -9.82278431145997 2172394 CCOC(=O)C1CCN(CC1)C2=NC(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/S2 1 3.052 2 5 0 -12.6230098373941 2172366 COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)Cl)OC 1 3.183 2 5 0 -15.4399711991839 2172353 CCOC(=O)C1=CN(C=C(C1C2=CC=CS2)C(=O)OCC)CC3=CC=C(C=C3)OC 1 3.387 1 5 -11.3766523173872 2172352 CCCOC1=CC=C(C=C1)C2C(=CN(C=C2C(=O)OC)CCOC)C(=O)OC 1 2.105 1 6 0 -11.2351277481752 2172337 CCCCOC1=CC=CC=C1C2C(=CN(C=C2C(=O)OC)CC)C(=O)OC 1 3.041 1 5 -12.4934889342692 2172334 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OCC 1 3.542 4 3 0 -16.3800222660305 2172322 CC1=C(C(=NN1CC(=O)NNC(=S)NCCCOC)C)Br 1 1.029 5 2 0 -19.5838301177225 2172321 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 2.745 2 3 -10.2179717806689 2172319 CCOCCCNS(=O)(=O)C1=CC=CC=C1 1 1.021 1 3 0 -10.9179463303055 2172317 CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)[N+](=O)[O-] 1 3.714 3 3 -16.6113635509007 2172316 CN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC=C3Cl)F 1 4.689 2 1 -14.9469390090592 2172307 CCOC(=O)NC(=O)CSC1=NN=NN1C2=CC=CC=C2 1 1.636 5 3 0 -21.6600188976904 2172306 CCCC1=CC(=O)N=C(N1)SCC(=O)NC(=O)OCC 1 1.783 3 4 0 -16.9441263222874 2172300 C1=CC=C(C(=C1)C(=O)NCCCNC(=O)C2=CC=CC=C2Br)Br 1 3.453 2 2 -7.96231624626674 2172285 CC1=CC(=CC(=C1)N2C(=O)/C(=C/C3=CC=CN3C4=CC=CC=C4)/C(=O)NC2=O)C 1 4.787 3 3 0.136720881284005 2172274 CC1CCN(CC1)C2=NC(=O)/C(=C/C3=C(C(=CC=C3)OC)OC)/S2 1 3.544 2 3 -7.29078739909609 2172194 C1=CC=C(C=C1)/C=C/C(=O)NCCCNC(=O)/C=C/C2=CC=CC=C2 1 2.892 2 2 -7.88531174713775 2172176 C1CN(CCN1)CCNC=C2C(=O)CC(CC2=O)C3=CC(=C(C=C3)Cl)Cl 1 1.884 3 2 0 -15.7927961948313 2172142 C1CN(CCN1)CCNC=C2C(=O)CC(CC2=O)C3=CC=C(C=C3)F 1 0.76 3 2 0 -14.7066740929683 2172127 CCNC(=S)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CO3 1 1.498 4 3 0 -24.8689694408779 2172121 CC1=CC=C(C=C1)SCCNC(=S)NC2=CC=CC=C2 1 5.188 2 0 -6.98735968950963 2172118 CCOC(=O)NC(=O)CSC1=NC2=CC=CC=C2N1 1 2.264 3 3 -7.45218291844185 2171879 C1=CC=C(C=C1)C\2=NOC(=O)/C2=C\C3=CN=CC=C3 1 2.236 2 2 0.676917284440652 2171845 CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3CCCCC3)N 1 3.421 4 2 -17.181391670367 2171844 CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=NN=C(S3)C)N 1 1.874 6 2 0 -20.8904498252512 2171837 COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC(=CC(=C2)Cl)Cl)C(=O)OC 1 5.406 2 4 -8.24200168864008 2171834 CCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N 1 2.09 3 2 -15.9123245069293 2171830 CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)N)Cl 1 2.021 4 2 -14.5523291987082 2171828 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNS(=O)(=O)C3=CC=CC=C3)OC 1 3.991 2 6 0 -9.67023595120656 2171798 C1COCCN1CCCNC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 1.162 2 4 0 -10.6590247644327 2171776 CCS(=O)(=O)N1CCN(CC1)C2=CC=CC(=C2C)C 1 2.321 2 2 -9.83048683100336 2171775 C1=CC=NC(=C1)C(=O)NN=CC2=CSC=C2 1 1.623 3 1 0 -8.65030870801772 2171764 COC1=C(C=CC(=C1)C(=O)NCC2=CC=CC=C2)OC(F)F 1 3.41 1 3 -10.4752437195666 2171758 C1=CC(=CC(=C1)NC(=O)C2=NN3C=C(C=NC3=C2)Br)C(F)(F)F 1 3.007 4 1 -1.10441276427354 2171748 CC1=C(C=CC(=C1)OC(F)F)NC(=S)NCCCOC 1 3.735 2 2 -12.7417638185117 2171730 CCOC(=O)C1=C(NC(=O)N1)CN(CC2=CC=CO2)CC3=C(NC(=O)N3)C(=O)OCC 1 -0.898 5 7 0 -11.2700937381191 2171727 CC1=C(SC=C1C(=O)NNC(=S)NCC=C)C 1 2.33 3 1 -11.9589695779345 2171695 CC1=CC=C(C=C1)C(=O)/C=C/NCC2=CC=C(C=C2)F 1 3.463 1 1 0.975963527863821 2171674 CCCCCCCCC(=O)NN=CC1=CC(=CC=C1)Br 1 5.171 2 1 -7.09939726981572 2171649 CCCCCCCCC(=O)NN=CC1=CC=CC=N1 1 3.701 3 1 -8.123007376953 2171634 C=CCNC(=O)C1=NN2C=CC=NC2=C1Cl 1 1.02 4 1 0 -12.6458546296517 2171626 CC(C)(C)NC(=O)CC1=CC(=C(C=C1)Cl)Cl 1 3.332 1 1 -8.32338742508295 2171558 CCCCNC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2 1 2.516 3 3 -14.5787260436241 2171518 CCOC(=O)C(=O)NC1=CC2=C(C=C1)OCO2 1 1.068 1 5 0 -6.93808774465569 2171497 CN(C)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)NCC2=CC=CC=C2)Cl)Cl 1 3.067 2 3 -10.2717716235341 2171484 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2CC=C)N 1 1.549 4 4 0 -22.7480190269568 2171457 CN1C(=O)/C(=C\C2=C(C(=CC=C2)OC)OCC3=CC=C(C=C3)C(=O)O)/SC1=O 1 3.328 1 6 0 -5.60276873492953 2171451 COC1=CC(=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C(C=C(C=C3)OC)OC)OC 1 3.603 5 4 0 -4.1795712832537 2171439 CCOC(=O)CC1=NN=C(S1)NC(=O)CSC2=NN=CN2C 1 0.239 6 3 0 -28.6979314292388 2171367 CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NNC(=N2)C)C 1 1.325 5 3 0 -16.604778497059 2171386 CCCCC1=NC(=NN1)SCC(=O)NC2=NC=CC=N2 1 1.871 6 1 0 -12.1418530641937 2171389 CC1=CC(=C(C=C1)C)NC(=S)NCC2=CC=CS2 1 4.808 2 0 -10.5304351270154 2171392 CC1=CC=C(C=C1)SCCNC(=S)NC2=C(C=CC(=C2)C)C 1 6.161 2 0 -8.25132208757214 2171398 CC1=CC(=CC(=C1)NC(=S)NCCCO)C 1 3.007 2 1 -7.73106748811044 2171396 CC1=CC=C(C=C1)SCCNC(=S)NC2=CC(=CC(=C2)C)C 1 6.161 2 0 -7.68408815363752 2171353 CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=CN2C)C 1 0.895 5 3 0 -25.2922202049472 2171352 COC1=CC(=C(C=C1)NC(=S)NCCC2=CC=CC=C2)OC 1 4.384 2 2 -11.8231743777852 2171245 CC1=CC(=CC(=C1)NC(=S)NCCSC2=CC=C(C=C2)Cl)C 1 6.339 2 0 -5.39747085937953 2171241 CC1=CC=C(C=C1)SCCNC(=S)NC2=C(C=CC(=C2)OC)OC 1 5.156 2 2 -8.48757613718129 2171230 C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.626 5 5 0 -15.3965391348301 2171221 CC1=C(C=CC(=C1)Cl)NC(=S)NCCCO 1 3.185 2 1 -6.29161560744081 2171218 CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O)C 1 3.24 4 5 0 -24.6379168839709 2171210 CC1=CC=C(C=C1)SCCNC(=S)NC2=C(C=C(C=C2)C)C 1 6.161 2 0 -9.23502150085613 2171196 CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)C 1 2.212 6 3 0 -27.7618653747598 2171190 COC1=CC(=C(C=C1)NC(=S)NCCSC2=CC=C(C=C2)Cl)OC 1 5.334 2 2 -8.57294532526141 2171186 CC1=CC=C(C=C1)SCCNC(=S)NC2=CC(=CC(=C2)OC)OC 1 5.156 2 2 -10.1172249567243 2171179 CC1=C(C=CC(=C1)Cl)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 7.307 2 0 -11.7058736864429 2171176 CCOCCCNC(=S)NC1=CC(=CC(=C1)C)C 1 3.764 2 1 -13.8575080427885 2171175 C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)COC(=O)CN3C4=CC=CC=C4C(=O)C3=O 1 0.953 2 8 0 -5.06255559226744 2171170 CCCNC(=S)NC1=C(C=C(C=C1)Cl)C 1 4.535 2 0 -8.85522444535418 2171168 CCCNC(=S)NC1=C(C(=CC=C1)Cl)C 1 4.535 2 0 -7.57009955557297 2171167 CC1=CC(=C(C=C1)NC(=S)NCCSC2=CC=C(C=C2)Cl)C 1 6.339 2 0 -6.76660811805941 2171152 C1=COC(=C1)CNC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 4.606 2 1 -7.44137942194143 2171139 COCCCNC(=S)NC1CCCCC1 1 2.447 2 1 -13.8805922267862 2171134 CCOCCCNC(=S)NCCC1=CC=CC=C1 1 2.842 2 1 -12.9414588698866 2171132 CC1=C(C=CC=C1Cl)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 7.307 2 0 -10.5181430231864 2171120 CC1=CC=C(C=C1)SCCNC(=S)NC2=C(C=C(C=C2)OC)OC 1 5.156 2 2 -10.3949440158482 2171114 CC1=CC(=C(C=C1)C)NC(=S)NCCSC2=CC=C(C=C2)Cl 1 6.339 2 0 -5.78290870477543 2171105 CCN1C=C(C=N1)CNC(=S)NC2=CC=CC3=CC=CC=C32 1 4.002 4 0 -10.5978517930874 2171101 COC1=CC=CC=C1CNC(=S)NCC=C 1 2.841 2 1 -12.8200351180556 2171098 COCCNC(=S)N1CCN(CC1)CC2=CC(=CC=C2)OC 1 2.587 3 2 -10.3111609832464 2171093 COCCCNC(=S)NCCC1=CC=C(C=C1)F 1 2.699 2 1 -9.90685500091196 2171090 C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)C(=S)NCCC3=CC=CC=C3 1 5.509 3 0 -6.256351738532 2171085 C1=CC(=CC(=C1)F)C(=O)NCC2=CC=NC=C2 1 1.676 2 1 0 -6.62976877311656 2171068 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.171 3 7 0 -9.67215838302306 2171062 CC(C)(CNC(=O)C1=CC=CS1)CNC(=O)C2=CC=CS2 1 2.715 2 2 -8.3771254798322 2171051 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)OC)OC 1 2.321 1 4 -11.4595903886175 2171048 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3 1 1.078 2 6 0 -13.5846268056236 2171031 C1=CC=C(C=C1)CC(=O)NCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.93 2 6 0 -20.383530765388 2170905 CCCCCC(=O)NNC(=O)NC1=CC=CC=C1 1 2.15 3 2 -11.0979608833567 2170856 CC1=CC(=CC(=C1)NC(=S)NCCCN2CCOCC2)C 1 3.373 3 1 -11.0931521777096 2170852 C1CN(CCN1CC2=CC(=CC=C2)F)C(=S)NCCC3=CC=CC=C3 1 4.844 3 0 -5.73002068252903 2170871 CCCCCCCC(=O)NN=CC1=CN=CC=C1 1 2.816 3 1 -9.54722929809153 2170865 COCCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CO2 1 1.401 3 3 0 -16.7287504943126 2170795 C=CCNC(=S)NC1=CC(=C(C=C1)OC(F)F)Cl 1 4.599 2 1 -9.15738812393143 2170787 COC1=CC(=C(C=C1)NC(=S)NC2CCCCC2)OC 1 4.337 2 2 -10.9845611075223 2170847 COCCNC(=S)N1CCN(CC1)C/C=C/C2=CC=CC=C2 1 3.071 3 1 -7.5069146983531 2170827 CCCCNC=C1C(=O)CC(CC1=O)C2=CC=CC=C2 1 2.324 1 2 -13.311669052941 2170706 COC1=C(C(=CC(=C1)/C=C\2/CCC/C(=C\C3=CC(=C(C(=C3)Cl)OC)O)/C2=O)Cl)O 1 5.949 0 5 3.22628694995224 2170628 C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)CCl 1 3.001 1 1 -1.39117577722955 2170433 C1=CC=C(C=C1)CC(=O)NCC(=O)OCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.594 2 6 0 -19.7198215197431 2170587 COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)/C=C\3/C(=O)N=C(S3)N 1 3.115 2 5 0 -8.53818367605414 2170336 C=CCNC(=S)N1CCC(CC1)C(=O)N 1 1.284 3 1 0 -15.7749200046669 2170302 CC1=CC(=NO1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3OC)N 1 1.775 5 4 0 -26.5519479219272 2169966 COC1=CC=CC(=C1)C(=O)NC2=C(C(=C(C(=C2F)F)F)F)F 1 3.625 1 2 -4.21502592568708 2169887 C1=CC=C(C=C1)CCCNC(=O)C2=CC(=CC=C2)Br 1 4.147 1 1 -7.89169923364169 2170072 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N=C(S3)N 1 2.252 3 5 0 -15.7468205844471 2169998 CCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)CS2 1 2.086 2 3 -12.6117918358731 2169980 CCOC(=O)C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2 1 2.867 1 4 -4.74764299994954 2169905 CC(C)C1=CC=C(C=C1)C(=O)NCCCC2=CC=CC=C2 1 4.593 1 1 -7.95271562498804 2169910 COCCCNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl 1 1.528 2 4 0 -12.4321770656567 2169912 COCCCNC(=O)CCC1=CC=CC=C1 1 1.46 1 2 0 -16.2828791150172 2169950 COC1=CC(=CC(=C1OC)OC)C(=O)NCCCCC2=CC=CC=C2 1 3.805 1 4 -12.3277384322878 2169936 CCCCC(=O)NCC1=CC=C(C=C1)Cl 1 3.201 1 1 -11.0574526579121 2169930 COCCCNC(=O)/C=C/C1=CC(=CC=C1)Cl 1 2.101 1 2 -7.25190069894848 2169875 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CS2 1 4.22 1 3 -11.7124058539947 2169847 C1=CC(=CC(=C1)Cl)CCNC(=O)/C=C/C(=O)O 1 2.186 1 3 -3.89788931472621 2169838 C1=CC(=CC(=C1)Cl)CCNC(=O)CCCC(=O)O 1 2.244 1 3 -14.4751600626456 2169834 CC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 3.382 1 2 -7.57172899387543 2169831 COCCCNC(=O)/C=C/C1=C(C=CC=C1Cl)Cl 1 2.766 1 2 -11.0052397451726 2169806 CC1=CC=C(C=C1)CNC(=O)CCCC(=O)O 1 1.744 1 3 0 -17.4932578800312 2169666 C=CCNC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-] 1 2.213 2 3 -10.7060399666549 2169782 C1=CC=C(C(=C1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F)Cl 1 4.306 1 1 -4.90979100455073 2169720 CCCCC1=CC=C(C=C1)NC(=O)OC 1 3.448 1 2 -3.8733042177296 2169717 COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 1.204 3 6 0 -17.8524308954527 2169715 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)/C=C/C3=CC=CS3)C 1 4.267 2 1 0.351070617041203 2169712 C1=CC=C(C=C1)CCCNC(=O)C2=CC=CS2 1 3.352 1 1 -9.70734861199684 2169709 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F 1 5.192 2 1 -4.14749091574897 2169689 CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.981 4 2 0 1.31736549493862 2169661 C1=CC(=CC(=C1)F)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 3.847 1 1 -3.73323746151185 2169620 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])Cl 1 2.799 4 6 0 -18.3463254527136 2169532 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5 1 3.794 4 2 -18.7129761158532 2169462 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC3=CC=CC=C32 1 3.492 3 2 -16.971155332708 2169584 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=C(C(=C(C(=C3F)F)F)F)F 1 5.438 1 1 -5.91172429575336 2169582 C1COCCN1CCCNC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 1.485 3 4 0 -9.26105315183034 2169579 C=CCNC(=O)C1=C(C=CC(=C1)Cl)Cl 1 2.983 1 1 -8.97777284889 2169568 COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F)C(=O)OC 1 3.352 1 5 -10.2914884203944 2169547 COC(=O)C1=C(C=CS1)NC(=O)C2=CN=CC=C2 1 1.272 2 3 0 -10.6300163749539 2169492 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 2.514 4 1 1.97547519953637 2169472 COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)OC 1 0.962 4 3 0 -4.14016113733257 2169470 C1=CC=NC(=C1)CNC(=O)CCCC(=O)O 1 0.323 2 3 0 -19.698011473479 2169437 C=CCOC1=C(C=C(C=C1)Br)/C=C/2\C(=O)N=C(S2)NC3=CC=C(C=C3)C(=O)O 1 4.758 2 4 -8.462838898171 2169404 C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)C(F)(F)F 1 1.473 3 2 0 -7.08813377007151 2169373 C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=CC=CC=N3 1 3.305 2 1 -10.9664412873385 2169358 C=CCNC(=O)CCCC(=O)NCC=C 1 0.487 2 2 0 -15.8658698927649 2169350 COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CS2 1 2.048 1 3 -6.04772855924541 2169348 C1=CC(=C(C=C1Cl)Cl)C(=O)COC(=O)C2=NC=CN=C2 1 2.397 2 3 -5.36892161412911 2169342 C1=CSC(=C1)CNC(=O)CCSCCC(=O)NCC2=CC=CS2 1 2.058 2 2 -15.7937133287106 2169339 COCCN1C=C(C(C(=C1)C(=O)OC)C2=CC=CC=C2Cl)C(=O)OC 1 1.914 1 5 0 -10.6103726120079 2169094 C1=CC=C(C=C1)NC2=C(C=C(C(=C2)C#N)C#N)N 1 2.391 4 0 -0.251932809348396 2169093 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 1.547 4 4 0 -6.62141400615829 2169091 C1=CC(=C(N=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.246 2 2 -1.74442547334985 2169083 COC1=C(C=C(C=C1)CNCCC2=CC=C(C=C2)Cl)OCC3=CC=CC=C3 1 5.487 1 2 -1.15696050851721 2169010 COC1=C(C=C(C=C1)CNCCC2=CC=CC=C2OC)OCC3=CC=CC=C3 1 4.806 1 3 -6.97186638166453 2169050 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3C(F)(F)F 1 3.916 2 2 -11.6634686758459 2168987 CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)NCCC3=CC=C(C=C3)Cl 1 3.044 4 1 -10.5134688273208 2168982 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=CC(=N2)N)N 1 1.19 5 3 0 -17.1203107031484 2168969 CCC1=NC(=NN1)SCC(=O)NC2=CC=CC=C2C(=O)OC 1 2.072 4 3 0 -16.1945125203093 2168968 C1CCC(C1)CCC(=O)NC2=NOC=C2 1 2.315 2 2 -9.4273267131073 2168967 CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)NCCC3=CC=CC=C3Cl 1 3.044 4 1 -14.4368726768305 2168966 C=CCNC(=S)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F 1 4.382 3 0 -5.07239997464356 2168951 CC1=NN(C=C1CN(C)C(=O)C2=C(C3=C(S2)C=CC=C3Cl)Cl)C 1 4.242 3 1 2.36629708025577 2168938 CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)NCCC3=CC=CC=C3OC 1 2.364 4 2 -17.1112697371432 2168932 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCOCC2)OCC3=CC=CC=C3 1 2.789 2 4 -17.4558714023814 2168928 C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=CN(N=C4)CC5=CC=C(C=C5)F 1 4.155 6 1 0 -10.4519929968242 2168891 CC(C)COC1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=C(C=C(C=C3)Cl)Cl)C(=O)N 1 5.426 2 3 -5.55701815280396 2168876 COC1=CC=C(C=C1)CCNCC2=C(C(=C(C=C2)OC)OC)OC 1 3.206 1 4 1.30486392080889 2168867 COC1=C(C=C(C=C1)CCNCC2=CC(=C(C=C2OC)OC)OC)OC 1 3.19 1 5 -2.63206054550974 2168854 CCNC(=S)NNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 3.298 3 1 -13.1510804254477 2168816 CC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=C(C=C3)Cl 1 1.015 3 3 0 -12.6533050718768 2168741 CCN1C(=C(C=N1)Br)C(=O)NC2=CC=CC=C2C(F)(F)F 1 3.595 3 1 -5.46774038847052 2168667 C1CCC(C1)C(=O)NCCCCNC(=O)C2CCCC2 1 2.548 2 2 -9.28502495221853 2168639 CCN1C=C(C(=N1)C)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.461 4 3 0 -13.7961142379643 2168621 CCOC(=O)C(=O)N1CCN(CC1)C2=CC=CC=C2OC 1 1.542 2 4 0 -4.75739266524 2168482 CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NCC4=CC=CS4 1 4.981 2 1 -4.38623682020364 2168496 CC(C)(CNC(=O)C1=CC(=CC=C1)F)CNC(=O)C2=CC(=CC=C2)F 1 3.22 2 2 -6.17881330271046 2168596 CC1=CC(=NC(=C1)NC(=O)/C=C/C2=CC=CC=C2Cl)C 1 3.904 2 1 -1.74748701196525 2168588 CCOC1=C(C=CC(=C1)/C=C/C(=O)O)OCCO 1 1.704 0 5 0 -4.04856636749464 2168517 CCN1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)C(C)C 1 3.212 2 1 -3.35800474441285 2168477 CC(=O)C1=CC=C(C=C1)NC(=O)CCSCCC(=O)NC2=CC=C(C=C2)C(=O)C 1 2.044 2 4 -11.47756770108 2168476 CC1=C(C=CO1)C(=O)NC2=C(C(=C(C(=C2F)F)F)F)F 1 2.891 1 2 -2.22150118034329 2168467 COCCNC(=S)NCC1=CC=CS1 1 1.85 2 1 0 -14.0955910491885 2168465 COC1=C(C=C(C(=C1)C=O)Br)OC2CCCC2 1 3.707 0 3 -5.15582161525752 2168459 COCCNC(=S)N1CCOCC1 1 0.75 2 2 0 -16.2245961442751 2168448 CC1(CC(=O)C(=CNCCN2CCN(CC2)C(=O)C3=CC=CC=C3)C(=O)C1)C 1 1.189 3 3 0 -16.0477838088482 2168413 CCCCCCCC(=O)NNC(=O)C1=CC=C(C=C1)F 1 3.36 2 2 -11.3433897668077 2168399 CC1=CC=CC=C1C(=O)NCCCNC(=O)C2=CC=CC=C2C 1 2.929 2 2 -11.2705254480981 2168379 CCCCC1=CC=C(S1)/C=C(\C#N)/C(=S)N 1 3.684 2 0 -6.3723404677616 2168368 COC1=C(C=C(C=C1)CCNC(=O)/C=C/C2=CC=CO2)OC 1 2.773 1 4 -10.8830935419276 2168362 COC1=C(C=C(C=C1)CCNC(=O)C2=CN=CC=C2)OC 1 1.759 2 3 0 -12.5996216231335 2168338 C1COCCN1CCCNC(=O)C2=CC=CO2 1 0.322 2 3 0 -9.20697555406361 2168256 CCCN(CCC(=O)NC1=CC=CC=C1F)CC2CC2 1 3.102 2 1 -5.75825789163793 2168233 CC1=CC(=C(C=C1)NC(=O)CC(C(F)(F)F)(C(F)(F)F)O)Br 1 3.66 1 2 -6.97960313988484 2168192 CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)NC4=C(SC=C4)C(=O)OC 1 5.707 2 3 7.47098317228803e-002 2168190 CC1=C(C=CC(=C1)C(=O)NC2=NC(=C(S2)C(=O)N(C)C)C)[N+](=O)[O-] 1 1.98 4 4 0 -14.8113055137968 2168157 C1CCC2=C(C1)C(=CS2)C(=O)NCC3=CC=CO3 1 2.848 1 2 -10.7875395244148 2168151 CCCOC1=C(C=C(C=C1)Br)C=NO 1 3.261 1 2 7.65193136034599 2168142 CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=N4 1 4.761 3 1 -10.0698666343274 2168140 CC1=C(C(=NN1CC(=O)NC2=CC=CC=N2)C)[N+](=O)[O-] 1 0.827 5 3 0 -8.33122689691747 2168077 C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.791 4 3 0 -11.474674551122 2168053 COCCN1C=C(C(C(=C1)C(=O)OC)C2=CC=CC=C2C(F)(F)F)C(=O)OC 1 2.191 1 5 -9.72021682948957 2168035 C1=CSC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl 1 3.924 2 1 2.13602532506398 2168034 CC(C)(C)C1=CSC(=N1)NC(=O)CC2=CC=C(C=C2)OC 1 3.459 2 2 -5.91159225661246 2167979 C1=CC(=C(C=C1NC(=O)CC(C(F)(F)F)(C(F)(F)F)O)Cl)Cl 1 3.755 1 2 -4.17644468564013 2167948 CCCCN(C)CCC(=O)NC1=C(C=C(C=C1)OC)OC 1 2.5 2 3 -11.2313582138837 2167892 CC1=C(N=C(S1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC(=CC=C3)OC)C#N)C4=CC=CC=C4 1 3.751 5 3 0 -13.8476542642785 2167889 CCN1C(=C(C=N1)Br)C(=O)NC2=CC=CC=C2C(=O)OC 1 2.508 3 3 -11.7136129354454 2167819 CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C(C)(C)C)C)NC(=O)/C=C/C(=O)O 1 4.248 1 5 -5.39370424748757 2167915 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 0.765 4 6 0 -9.47856204884506 2167741 C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CSC3=NC(=O)C=C(N3)N 1 1.27 6 2 0 -18.0538755643261 2167699 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=C4CCCCC4=NC5=CC=CC=C53 1 3.121 4 4 0 -19.1081473036667 2167462 CCCCC1=NC(=NN1)SCC(=O)NC2=CC(=CC=C2)Cl 1 3.793 4 1 -7.19002056389056 2167137 C1COCCN1C(=O)/C=C/C2=CC=CS2 1 1.352 1 2 0 -8.66282322485408 2167123 COC1=CC=C(C=C1)CNC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 3.632 1 2 -7.65435256075936 2167116 C1=CC(=CC=C1/C=C/C(=O)NCCNC(=O)/C=C/C2=CC=C(C=C2)F)F 1 3.241 2 2 -5.84925107678163 2167108 C1CCN(C1)C(=O)CCSCCC(=O)N2CCCC2 1 0.744 2 2 0 -9.65771736253058 2167095 CCS(=O)(=O)NCCCC1=CC=CC=C1 1 1.874 1 2 0 -7.34430931210632 2167092 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.709 2 4 0 -17.7492129062818 2167083 CC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F 1 4.787 2 0 -6.19610441514706 2167075 C1=CC=C(C=C1)CCCNC(=O)/C=C/C(=O)O 1 1.978 1 3 0 -8.35522906646042 2167058 C1CN(C2=CC=CC=C21)C(=O)C3=C(C(=C(C(=C3F)F)F)F)F 1 3.922 1 1 -9.16519218649754 2167057 CC(CNC(=O)/C=C/C1=CC=C(C=C1)F)(CNC(=O)/C=C/C2=CC=C(C=C2)F)C 1 4.155 2 2 -5.73165341510249 2167052 COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 0.979 4 2 0 -1.50299318508069 2167047 CCC(=O)NCCCCNC(=O)CC 1 0.542 2 2 0 -9.98728401644511 2167035 COC(=O)C1=C(C=CS1)NC(=O)C2=CC=C(O2)Br 1 2.386 1 4 -9.05421315102076 2167030 COC1=CC=CC(=C1)C(=O)NCCCNC(=O)C2=CC(=CC=C2)OC 1 1.924 2 4 0 -9.07212807593153 2166917 CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)NC(=O)C3=NN(C=C3Cl)C 1 4.347 5 1 -4.70570650029214 2166906 CCN1CCN(CC1)C(=O)C(=O)OCC 1 0.235 2 3 0 -5.61120316106948 2166897 C1COCCN1CCCNC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 2.09 2 3 -9.49493468864472 2166878 CCCCCC(=O)NNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 3.761 2 2 -8.83512027273885 2166872 CCCCCCCC(=O)NN=CC1=CC=C(C=C1)Br 1 4.715 2 1 -9.19630687066782 2166869 CC1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)F 1 3.341 1 1 -3.88891052274461 2166864 CCCC(=O)NCCCCNC(=O)CCC 1 1.454 2 2 0 -16.3858691230003 2166862 CCCCCC(=O)NN=CC1=CC=CS1 1 3.008 2 1 -10.8492854294402 2166842 COC1=NC(=NC(=C1)NC(=O)CCCC(=O)OCC(C(F)F)(F)F)OC 1 2.269 3 5 0 -24.9597356097627 2166841 COC1=CC=CC=C1NC(=O)CCCC(=O)OCC(C(F)F)(F)F 1 2.465 1 4 -18.7702076023287 2166838 CCCCCC(=O)NNC(=O)C1=CC=C(C=C1)F 1 2.448 2 2 -11.2861396492713 2166835 C1=CC=C(C(=C1)NC(=O)CCCC(=O)OCC(C(F)F)(F)F)F 1 2.687 1 3 -16.843160616485 2166777 CCCCCCCC(=O)NNC(=O)CC1=CC=CC=C1 1 3.19 2 2 -11.4094967619328 2166775 C1=CC=C(C=C1)CCCCNC(=O)CCCC(=O)O 1 2.492 1 3 -18.9758219989464 2166757 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CC3=CC(=C(C=C3)OC)OC 1 3.132 1 5 -14.322206565092 2166747 CC(C)C1=CC=C(C=C1)C(=O)NCCCN(C)C 1 2.433 2 1 -6.86589858548781 2166728 C1=CC=C(C=C1)C(CC(=O)NC2=NNN=N2)C3=CC=CC=C3 1 2.76 5 1 -10.8049853407003 2166701 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)OC 1 3.259 2 4 -2.14298741175718 2166688 C1=CC=C(C=C1)C(CCNC(=O)C2=NC=CN=C2)C3=CC=CC=C3 1 2.81 3 1 -15.17111444111 2166682 CC1=NN=C(S1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC 1 2.352 4 2 -16.1021171267833 2166680 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=CC=CC=C3C(F)(F)F)C)Br 1 4.44 3 2 -6.70371906762564 2166679 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.17 4 6 0 -19.0715134833354 2166675 C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3N2)F 1 2.877 3 1 -3.69783312145952 2166648 C1CCC(C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl 1 3.949 1 1 1.82820867645338 2166646 C1=CC(=CN=C1)CNC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 2.498 2 1 -9.76427575202453 2166596 C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35 1 4.502 2 3 -12.1758426068118 2166593 COC1=CC=CC=C1NC(=O)CCSCCC(=O)NC2=CC=CC=C2OC 1 2.531 2 4 -11.2945999178386 2166584 COC1=CC(=C(C=C1)C(=O)NC2=C(C(=C(C(=C2F)F)F)F)F)OC 1 3.609 1 3 -3.29315038319882 2166509 CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CCNC=C3C(=O)CC(CC3=O)(C)C 1 1.387 4 3 0 -16.08716476775 2166474 CC1=CC(=NO1)NC(=O)C2=CC(=CC=C2)Br 1 2.501 2 2 -12.6411334842411 2166461 C1COCCN1CCCNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 2.456 2 2 -14.1634814075888 2166446 C1=CC=C(C(=C1)C(=O)NCCCCNC(=O)C2=CC=CC=C2F)F 1 2.948 2 2 -10.7683741322197 2166417 C1=CC(=CC=C1C(=O)COC(=O)CNC(=O)CNC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-] 1 1.703 3 7 0 -21.0092405069916 2166402 C1=CC(=CN=C1)CNC(=O)C2=CC=C(O2)COC3=C(C=C(C=C3)Cl)Cl 1 3.84 2 3 -9.23300420552363 2166397 COC1=C(C=C(C=C1)C(=O)NN2CCCCC2)OC 1 1.636 2 3 0 -10.8374675624735 2166357 CC1=CC(=NO1)NC(=O)C2=C(C=CC=C2Cl)Cl 1 3.082 2 2 -13.6446543759674 2166356 CC1=C(N=C(S1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 1 3.94 2 3 -5.43427038554992 2166344 C1CN(CCN1C(=O)COC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)F 1 2.166 2 3 -6.40218824494271 2166341 CCCNC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)C(C)(C)C 1 4.351 1 3 -7.16661295818112 2166338 CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCC3=CC=NC=C3 1 2.843 2 4 -9.78827324391135 2166331 CCCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CS2 1 3.763 1 3 -10.3485510435187 2166324 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 4.875 2 4 -9.46443224409985 2166306 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4OC 1 4.272 2 3 -7.78461568545137 2166281 CC1=CN=C(C=C1)NC(=O)C(=O)NC2=NC=C(C=C2)C 1 1.63 4 2 0 -6.29768803183437 2166263 C1COCCN1CCNC(=O)NC2=CC=CC=C2 1 0.772 3 2 0 -8.78064177995034 2166261 C=CCNC(=O)CCCCC(=O)NCC=C 1 0.943 2 2 0 -15.1319311183947 2166258 C1=CC=C2C(=C1)C=CC=C2OCC3=CC=C(O3)C(=O)NCC4=CN=CC=C4 1 3.419 2 3 -10.6641776465689 2166253 CCCC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NCCC)OC 1 4.333 1 4 -12.3081987485367 2166232 COC(=O)C1CCN(CC1)C(=O)CCCOC2=CC=CC=C2 1 1.976 1 4 0 -9.36771046341004 2166227 C1=CC=C(C=C1)CCNC(=S)NCCO 1 2.023 2 1 -7.76310999945907 2166217 CC1=CC=C(O1)C=NNC(=O)COC2=CC3=CC=CC=C3C=C2 1 2.967 2 3 -2.71910704522912 2166178 COC1=C(C(=C(C=C1)C=NNC(=O)C(=O)N)OC)OC 1 0.118 3 5 0 -6.03465123709061 2166167 C1=CC=C(C=C1)CNC(=O)CN2C=NN=N2 1 -0.217 5 1 0 -24.9842208439758 2166162 CC1=NC(=CC=C1)NC(=O)C2=CC=C(O2)COC3=CC4=CC=CC=C4C=C3 1 4.234 2 3 -1.32888599214156 2166152 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=NC=C3 1 2.665 3 1 4.21071495066192 2166141 CC(=O)NCC(=O)OCC(=O)C1=CC2=CC=CC=C2C=C1 1 1.245 1 4 0 -10.8316787428236 2166127 C1=CC=C2C(=C1)C=CC=C2C(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O 1 3.518 2 6 0 -15.6004793872195 2166123 C1=COC(=C1)C(=O)NCC(=O)NCC(=O)OCC2=C(C=C(C=C2)Cl)Cl 1 2.112 2 5 0 -11.7745641663239 2166119 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NC3=CC=CC4=C3N=CC=C4 1 3.981 2 4 -15.7606502373044 2166108 C1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=CC3=C2N=CC=C3 1 2.463 2 4 -19.7191942068114 2166096 CC1=CC=CC=C1OCC(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.216 2 7 0 -17.0681619409731 2166088 CCC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)CNS(=O)(=O)C2=CC=CC=C2 1 1.706 2 6 0 -21.3403890952042 2166076 CC1=CC(=O)N=C(N1)SCC(=O)NC2=NC=C(C=C2)Br 1 1.741 4 2 0 -21.0625182113494 2166058 CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NNC(=N2)CC(C)C)C 1 2.7 5 3 0 -15.1171091234914 2166051 CC(C)CC1=NN=C(S1)NC(=O)CSC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O 1 3.118 5 3 0 -18.6158044323488 2166037 C1=CC(=CC=C1/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 1.389 3 7 0 -13.2422691925935 2166024 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=NC=CS3 1 1.787 3 3 0 -11.3141804027538 2166003 C1CCC(CC1)C(=O)NC2=C(C(=C(C(=C2F)F)F)F)F 1 4.104 1 1 -0.279054173425956 2166002 CC1=CC=CC=C1NC(=O)CCCCC(=O)NC2=CC=CC=C2C 1 3.835 2 2 -10.2165769888235 2165998 CC(C)CC(=O)NC1=CC=CC=C1OC2=CC=CC=C2 1 3.885 1 2 -8.95802741832092 2165997 CN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)COC3=C(C=C(C=C3)Cl)Cl 1 5.716 1 2 -2.15776250149441 2165994 COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)COCC(C(F)F)(F)F)OC 1 3.39 1 4 -13.6850973086058 2165979 CC(C)(CNC(=O)C1CCCC1)CNC(=O)C2CCCC2 1 2.82 2 2 -7.41042121520135 2165977 CC(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NN3CCN(CC3)C 1 2.943 3 3 -3.9135275681904 2165971 CCSC1=NN=C(S1)NC(=O)CCC2=CC=C(C=C2)OC 1 2.995 3 2 -17.3940386697458 2165962 C1=CC=C(C=C1)CCCNS(=O)(=O)C2=CC=C(C=C2)Br 1 3.85 1 2 -5.73820407315165 2165960 C1=CSC(=C1)CNC(=O)CCCCC(=O)NCC2=CC=CS2 1 2.356 2 2 -15.6827123712585 2165956 C1=CC(=CC=C1CNC(=O)CCCC(=O)NCC2=CC=C(C=C2)F)F 1 2.831 2 2 -12.8565222779864 2165954 CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC=CC(=N3)C 1 3.658 2 4 -4.95897415136486 2165947 CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 3.846 1 3 -12.4733204885375 2165934 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)COCC(C(F)F)(F)F 1 3.682 2 2 -5.02954712888564 2165907 CCCNC(=O)C1=CC(=CC=C1)COC2=CC=CC=C2OC 1 3.461 1 3 -12.6806141245292 2165881 COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COCC(C(F)F)(F)F 1 3.407 1 3 -8.76794476871706 2165837 COC1=CC=C(C=C1)CNC(=S)NC2=CC(=CC=C2)Cl 1 4.743 2 1 -4.572078393051 2165821 CC1=CC=C(C=C1)/C=C/C(=O)N2CCC(CC2)CC3=CC=CC=C3 1 4.855 1 1 -0.789755664267394 2165798 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)CC 1 3.72 1 3 -10.5594558201161 2165768 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC=CS3 1 2.908 2 2 -13.4434536705183 2165746 C1=CC(=CC=C1F)S(=O)(=O)NCCNS(=O)(=O)C2=CC=C(C=C2)F 1 1.711 2 4 0 -4.25410545986931 2165745 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 0.779 3 8 0 -22.2817564832489 2165730 C1COCCN1CCNC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 1.891 2 2 0 -9.58394852348096 2165724 CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=CC=C51 1 4.227 3 2 4.80521467856239 2165595 CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CO4 1 4.035 2 2 -10.5467414271092 2165597 C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)NC(=O)CCC3=CC=CC=C3 1 4.381 2 2 -8.00171876185402 2165672 COC1=CC=CC=C1NC(=O)CCCCC(=O)NC2=CC=CC=C2OC 1 2.83 2 4 -11.1835989603865 2165690 CC1=CC(=C(C(=C1)C)NC(=O)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3)C 1 6.019 1 1 -4.7169244427675 2165688 C1CC1C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCOCC4 1 1.127 4 2 0 -14.7996269105101 2165686 COC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=CC=C2 1 1.984 1 5 0 -15.8466618331914 2165607 CC1=CC(=C(C(=C1C)C(=O)COC(=O)CNC(=O)CNC(=O)C2=CC=CO2)C)C 1 2.4 2 6 0 -17.7858297911469 2165605 COCCNC(=O)CCCC(=O)NCCOC 1 -1.009 2 4 0 -16.8599447126672 2165590 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)OCC)C(=O)OCC)C 1 2.822 2 5 0 -18.8086927655805 2165573 CC1=C(C=C(C=C1)NC(=O)CCSCCC(=O)NC2=CC(=C(C=C2)C)C)C 1 4.509 2 2 -8.01079998492345 2165562 COC1=CC=C(C=C1)S(=O)(=O)NCCCCNS(=O)(=O)C2=CC=C(C=C2)OC 1 1.91 2 6 0 -7.08666459643043 2165561 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 2.799 4 6 0 -15.5991391320884 2165557 C1=CC(=NC(=C1)NC(=O)/C=C/C2=CC=CO2)NC(=O)/C=C/C3=CC=CO3 1 3.053 3 4 0 -3.27757822991291 2165512 CC(C)CC(=O)NCCCCC1=CC=CC=C1 1 3.565 1 1 -13.4852652221331 2165506 CCOC(=O)NCC1=CC=C(C=C1)CNC(=O)OCC 1 2.068 2 4 -7.2154743520566 2165494 CCC(CC)C(=O)NCCCN1CCOCC1 1 1.304 2 2 0 -10.7523236039514 2165464 COC1=CC=C(C=C1)/C=C/C(=O)NCCCC2=CC=CC=C2 1 3.85 1 2 -8.25117954431078 2165417 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4 1 3.644 2 2 -5.07218695020243 2165416 CCCCC1=CC=C(C=C1)NN=C(C(=O)C)C(=O)NC2=C(C=C(C=C2)NC(=O)C)OC 1 3.52 4 4 0 -10.6271066804518 2165391 CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC 1 1.414 1 4 0 -9.9231489691608 2165389 CCN(CC)CCCNC(=O)CCC1=CC=CC=C1 1 2.427 2 1 -14.3471735825812 2165345 CC1=C(C=CO1)C(=O)NCCCC2=CC=CC=C2 1 2.648 1 2 -7.72764678563549 2165338 C1=CN=C(C=N1)C(=O)NCCCCNC(=O)C2=NC=CN=C2 1 -1.209 6 2 0 -12.610492530021 2165332 C1=CN=CC=C1CNC(=O)C(C(C(=O)NCC2=CC=NC=C2)(F)F)(F)F 1 0.576 4 2 0 -4.6038673923875 2165284 C1COCCN1CCCNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.255 2 2 -5.81394759980142 2165258 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC=CN=C2 1 1.926 3 3 0 -13.149870788917 2165246 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2 1 2.084 4 4 0 -4.07493281454063 2165238 C1=CC(=CC=C1CNC(=O)CCSCCC(=O)NCC2=CC=C(C=C2)F)F 1 2.989 2 2 -12.2335844610682 2165229 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCCC2=CC=CC=C2 1 3.779 2 3 -10.5056435147988 2165226 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3 1 3.591 4 3 0 -5.0694085539247 2165209 C1=CC=C(C=C1)CCCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.766 1 2 -4.28154432805021 2165182 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCOCC4 1 2.538 3 3 -9.85178208566403 2165175 CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CCOCC2 1 2.487 1 3 -5.28096761636939 2165163 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(OC=C2)C 1 2.591 1 4 -7.41031219952694 2165103 CC1=NNC(=NC1=O)SCC(=O)N2CCCC3=CC=CC=C32 1 1.925 4 2 0 -18.2328191828778 2165095 CC1=CC(=NC(=N1)SCCCN2C3=CC=CC=C3NC2=O)C 1 2.459 4 1 -9.61018372051939 2165091 CC(C)CC1=NN=C(S1)NC(=O)CSC2=NC(=O)C=C(N2)N 1 0.98 6 2 0 -19.7663333179005 2165079 CC(C)C1=NN=C(S1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.548 4 5 0 -13.7736589105129 2165077 C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C#N 1 4.46 4 2 -13.8325708844954 2165076 C1=CC=C(C=C1)N2C=NC(=N2)SCC(=O)NC3=NC4=CC=CC=C4S3 1 3.697 5 1 -3.54598718070268 2165075 CC(C)CC1=NN=C(S1)NC(=O)CSC2=NC(=C(C(=O)N2)NC(=O)C)O 1 0.464 6 4 0 -21.7247622614222 2165059 CCN(CC)CCCNS(=O)(=O)C1=CC=C(C=C1)OC 1 1.623 2 3 0 -6.99128542904771 2165014 CC1=CC(=O)N=C(N1)SCC(=O)NC2=NN=C(S2)CC(C)C 1 1.714 5 2 0 -23.3318515030932 2165010 CC(C)CC1=NN=C(S1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O 1 3.574 5 3 0 -22.1506006242923 2164994 COC1=CC=CC=C1NC(=O)COC(=O)CN2C3=CC=CC=C3C(=O)C2=O 1 1.203 2 6 0 -7.48614537907256 2164985 C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CN=CC=C3 1 2.092 3 2 -13.5886761905906 2164977 CCOC1=CC=C(C=C1)C(=O)NCCNC(=O)C2=CC=C(C=C2)OCC 1 2.559 2 4 -8.13827944957208 2164976 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=NC=C3 1 1.928 3 1 0 -0.669859299556147 2164960 C1CCC(C1)CCC(=O)NCCCN2CCOCC2 1 1.634 2 2 0 -15.9768099115599 2164921 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCCC2=CC=CC=C2 1 2.222 2 3 -10.841520047604 2164914 CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2 1 2.97 3 2 -18.5852206381396 2164906 C1=CC(=CC=C1F)S(=O)(=O)NCCCCNS(=O)(=O)C2=CC=C(C=C2)F 1 2.354 2 4 -5.96182136182104 2164898 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 3.237 2 5 0 -12.2987377964939 2164897 C1=CC=NC(=C1)CNC(=O)C(C(C(=O)NCC2=CC=CC=N2)(F)F)(F)F 1 1.006 4 2 0 -6.28461653505924 2164885 C1=CC=C(C=C1)CCCNC(=O)CCCC(=O)O 1 2.036 1 3 -18.777033820842 2164820 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NCC2=CC=CO2 1 2.165 2 4 -9.91982607660883 2164816 C1=CC(=CC(=C1)Cl)NC(=O)NCC2=CC=C(C=C2)F 1 3.399 2 1 -1.03230113846635 2164796 CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CCCCC2 1 3.716 1 2 -3.7126711665938 2164788 CC1=C(C=CO1)C(=O)NCCCCC2=CC=CC=C2 1 3.104 1 2 -7.92643496373985 2164757 CC(C)NC(=O)CCCC(=O)NC(C)C 1 0.706 2 2 0 -17.7426172396928 2164752 CC1=CC=C(C=C1)/C=C/C(=O)NCCCC2=CC=CC=C2 1 4.353 1 1 -7.83821333516665 2164709 COC(=O)C1=CC=CC=C1NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4CC4 1 2.665 4 3 0 -17.9974878869288 2164708 CC1=CC(=NO1)NC(=O)C2=NN3C(=CC(=NC3=C2)C4CC4)C(F)(F)F 1 2.866 5 2 0 -23.0778939645319 2164705 C1CC1C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCC5=CC=CC=C5C4 1 3.097 4 1 -16.5867639709911 2164691 C1=CSC(=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.932 4 3 0 -13.9414079686893 2164684 CCCCOCCCNC(=O)CC1=CC=CC=C1OC 1 2.316 1 3 -15.4259665954657 2164679 CC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CS3 1 9.3e-002 3 3 0 -18.7189880676066 2164652 CCCCN(CC)C(=O)C1=CC=C(C=C1)Cl 1 3.585 1 1 -6.76818140144361 2164635 CCCCN(CC)S(=O)(=O)C1=CC=CC=C1 1 2.624 1 2 -10.3943771680833 2164631 C1CC(=O)N(C1)CCCNC(=S)NC2=CC=C(C=C2)F 1 2.433 3 1 -21.7162202909023 2164620 CC(C)CCNC(=O)CCCOC1=CC=CC=C1 1 3.023 1 2 -16.3397283112663 2164602 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)C(=O)OC(C)C)C)Cl 1 3.995 3 4 0 -11.5184916327238 2164596 CC(=O)NC1=CC=C(C=C1)C(=O)NCCOC 1 2.7e-002 2 3 0 -13.8437956668493 2164585 C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 3.664 5 5 0 -7.93335871123924 2164583 C1CCC(C1)C(=O)NCCCCC2=CC=CC=C2 1 3.861 1 1 -8.83822384465554 2164581 C1CCC(CC1)NC(=O)C2=CC(=CC=C2)CN3C=C(C=N3)Cl 1 3.794 3 1 -10.6777330644711 2164566 CN1CCN(CC1)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 1.071 4 3 0 -3.35050698218758 2164542 CCC(CC)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl 1 3.55 2 3 -7.01459568793977 2164536 CC(C)CNC(=O)C1=CC(=CC=C1)C(=O)NCC(C)C 1 2.629 2 2 -9.83657085732013 2164535 CC(C)(C)NC(=O)C1=C(C(=C(C(=C1F)F)F)F)F 1 2.996 1 1 -9.44019904884335 2164527 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=CN=CC=C2 1 1.061 3 4 0 -8.43193923140178 2164483 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)NCC4=CC=CC=N4 1 4.483 3 1 -9.3542963187189 2164460 C1=CC(=CC=C1NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F)S(=O)(=O)NC3=NC=CS3 1 3.127 3 3 -11.058473298124 2164370 C1COCCN1CCCNC=C2C(=O)C3=CC=CC=C3C2=O 1 0.611 2 3 0 -6.57095185729733 2164351 C1CCC(C1)NC(=O)/C=C/C2=CC=CS2 1 2.861 1 1 -9.30880802155614 2164349 COCCCNC(=O)C1=CC(=CC=C1)C(=O)NCCCOC 1 0.109 2 4 0 -12.740138014747 2164347 C1C(CC(=O)C(=CNCCC2=CC=CC=C2)C1=O)C3=CC=CC=C3 1 2.899 1 2 -11.488715267592 2164342 C1=CC=C(C=C1)CCC(=O)NC2=C(C(=C(C(=C2F)F)F)F)F 1 4.133 1 1 -7.53511690248644 2164314 CCCCNC(=O)C1=CC(=CC=C1)C(=O)NCCCC 1 2.903 2 2 -11.3910995355236 2164301 CCCCC(=O)NC1=CC=C(C=C1)C(=O)N 1 1.531 2 2 0 -11.7647098641561 2164295 C1=CC=C2C(=C1)NC(=N2)NC(=O)CC3=CC=C(C=C3)Cl 1 3.371 3 1 -0.684590021832819 2164286 C1CC1NC(=O)COC2=CC3=CC=CC=C3C=C2 1 2.271 1 2 -4.9896629707631 2164264 C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl 1 3.664 5 5 0 -3.70754767215296 2164249 CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C 1 3.853 3 0 1.49652673676641 2164243 CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C 1 2.172 5 2 0 -21.1299689699755 2164205 COC1=CC=C(C=C1)CCNC(=O)/C=C/C(=O)O 1 1.505 1 4 0 -6.73739982939019 2164200 C1=CC=C(C=C1)CCCNC(=O)C2=CC=C(C=C2)F 1 3.604 1 1 -7.52429829617443 2164196 CC1=NN=C(S1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 2.376 3 1 -12.2141248048437 2164188 C1=NN=C(S1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 2.116 3 1 -9.24190192241927 2164180 CN1C(=C(C=N1)Cl)C(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 2.851 3 3 -10.601720613162 2164117 CC(C)C1=CC=C(C=C1)C(=O)NCCCN2CCOCC2 1 2.121 2 2 -9.10675343234138 2164081 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C(=C(C(=C3F)F)F)F)F 1 3.417 1 3 -8.93664028884034 2164059 COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)Br)OC 1 3.361 1 4 -7.28731594946918 2164052 CC1=C(C=CC(=C1)Cl)OCC(=O)NCCCCC2=CC=CC=C2 1 4.841 1 2 -6.11335626278165 2164035 CCCCOCCCNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C 1 2.678 2 4 -15.4324819286567 2164027 CCCCOCCCNC(=O)C1=CC(=CC=C1)OC 1 2.281 1 3 -11.8548580446259 2164024 C1CCN(CC1)C(=O)CCCOC2=CC=CC=C2 1 2.565 1 2 -8.29714108500547 2164014 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCOC3=CC=CC=C3)C 1 4.25 2 2 -0.851543692885786 2164011 CCCCOCCCNC(=O)/C=C/C1=CC=CC=C1Cl 1 3.43 1 2 -8.82027955711127 2164009 COCCCNC(=O)CCCOC1=CC=CC=C1 1 1.374 1 3 0 -15.7737549791376 2164006 CCCCN(CC)C(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-] 1 3.283 2 3 -8.62904880919274 2163994 CCCCOCCCNS(=O)(=O)C1=CC=CC=C1 1 2.001 1 3 -9.72848017008937 2163990 CCN(CC1=CC=CC=C1)C(=O)CCCOC2=CC=CC=C2 1 3.581 1 2 -13.5905011506398 2163962 CCCCN(CC)C(=O)C1=CC(=C(C=C1)Cl)Cl 1 4.25 1 1 -6.86839946121467 2163961 CCCCOCCCNC(=O)COC1=CC=CC=C1 1 2.133 1 3 -12.895361542788 2163960 CCCCN(CC)C(=O)C1=CC(=CC=C1)Cl 1 3.585 1 1 -5.67075042566494 2163945 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NCCCN3CCOCC3 1 2.802 3 3 -17.3118951234574 2163933 CCOC(=O)CNC(=O)/C=C/C1=CC2=C(C=C1)OCO2 1 1.329 1 5 0 -12.0848742860982 2163924 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(OC=C2)C 1 3.048 1 4 -8.77416701000296 2163906 C1CC1C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 3.268 1 2 -1.11006035193705 2163866 COC(=O)C1=C(C=CS1)NC(=O)C2=CC=CC=C2Br 1 3.171 1 3 -7.97364384456472 2163809 C1COCCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br 1 3.808 3 2 -9.55183865596588 2163771 COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=CC=C2)Cl 1 3.087 1 3 -6.17394212061423 2163740 C1OC2=C(O1)C=C(C=C2)CCNCC3=CC=CC=C3F 1 3.245 1 2 1.0993109627312 2163734 COC1=CC(=CC(=C1)C(=O)NCCCN2CCOCC2)OC 1 0.894 2 4 0 -12.2486074991266 2163718 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 2.646 4 4 0 -14.3148945483251 2163679 C1CC1NC(=S)NCCC2=CC=CC=C2 1 3.052 2 0 -10.3378337006299 2163560 CC1=CSC(=N1)NC(=O)/C=C/C2=CC=CO2 1 1.757 2 2 0 -5.09935007551076 2163510 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.419 3 2 -4.72515686066387 2163470 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NNN=N3 1 2.196 6 2 0 -11.4590576117785 2163453 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC3=CC=CC=C3N2 1 2.622 3 4 0 -5.98434966499458 2163433 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NN=CC3=C(C(=C(C=C3)OC)OC)OC 1 2.976 5 4 0 -14.7983385878974 2163414 COC1=CC(=C(C=C1)OC)/C=C(/C(=O)NN=CC2=CC=CC=C2C(=O)O)\NC(=O)C3=CC=CC=C3 1 3.237 3 6 0 -17.6062325562424 2163411 CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl 1 4.93 3 4 0 -12.9806831853041 2163381 COC1=CC=C(C=C1)CCC(=O)NC2=NC=CS2 1 2.086 2 2 -8.74326641197365 2163248 C1=CSC(=C1)/C=C/C(=O)NC2=NC=CS2 1 2.033 2 1 -6.99986293302982 2163239 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.122 1 4 -8.78585869757598 2163156 CCOCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 1 0.265 4 4 0 -13.6107624737405 2163146 CCOCC(=O)NC1=NC2=C(S1)C=C(C=C2)OC 1 1.644 2 3 0 -6.05754669903578 2163142 CCOCC(=O)N1CCC2=CC=CC=C21 1 1.316 1 2 0 -11.5490725385653 2163124 C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)/NC2=O)Cl 1 4.689 2 5 0 2.39926626077003 2163119 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=S)S3)OC 1 3.08 2 6 0 -12.3178259444548 2163066 CCOCC(=O)N1CCC(CC1)CC2=CC=CC=C2 1 2.322 1 2 -4.44523703903633 2163065 CCOC(=O)C(=O)NC1=NN=C(S1)COC2=CC=C(C=C2)Cl 1 2.199 3 4 0 -6.73183826290463 2163064 C1=CC=C(C=C1)OCCCC(=O)NC2=NC=CC=N2 1 1.761 3 2 0 -9.32590612924328 2163056 CCOCCCNC(=O)CC1=CC(=C(C=C1)OC)OC 1 1.32 1 4 0 -18.2962834876427 2163055 CCS(=O)(=O)N1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3 1 1.459 3 2 0 -8.99828243580729 2163053 CCOCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3 1 1.202 3 4 0 -14.8839292283231 2163044 CCOCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 0.52 3 4 0 -12.6818865530769 2163023 CCCCN(CC)C(=O)C1=CC=CC=C1OC2=CC=CC=C2 1 4.481 1 2 -8.0761727019702 2163021 CCOCCCNC(=O)C1=CC=C(C=C1)NC(=O)C 1 0.438 2 3 0 -15.9853197814326 2163016 CCOCC(=O)NC1=CC(=C(C=C1)F)F 1 1.446 1 2 0 -5.78833913682929 2163014 C1=CC=C(C=C1)SCC(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl 1 3.906 3 2 -9.18738407057416 2163005 COCCNC(=O)CC1=CC=C(C=C1)F 1 1.147 1 2 0 -11.1241223675918 2163001 CC(C)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 4.593 2 2 -7.31718766425096 2162991 CCOCC(=O)NC1=CC=CC(=C1)C(=O)OCC 1 1.239 1 4 0 -11.4224109857923 2162986 CCOCC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl 1 1.958 2 2 0 0.22524639070342 2162965 CCOCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC 1 0.913 2 5 0 -11.0791701749263 2162949 CCOCC1=NN=C(S1)NC(=O)C2=CC=CO2 1 0.829 3 3 0 -11.6808381715714 2162944 COCCCNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2 1 1.754 2 3 0 -14.216982839991 2162941 CCOCC(=O)N1CCN(CC1)C2=CC=CC=C2OC 1 1.278 2 3 0 -6.30026993381487 2162931 CCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC 1 3.14 4 5 0 -16.3578444849402 2162930 CCOCC(=O)NC1=NN=C(S1)C2CCCCC2 1 1.896 3 2 0 -10.4658639131217 2162917 CCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 5.524 4 1 -11.5097432303795 2162909 CCOCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 -0.16 2 5 0 -22.9212773660353 2162893 CCOCC(=O)NC1=CC(=CC=C1)OC 1 1.019 1 3 0 -6.60939619152867 2162886 CCN(CC1=CC=CC=C1)C(=O)COCC 1 1.597 1 2 0 -11.1087563451902 2162881 CCOCC(=O)NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.154 3 6 0 -15.9441353205499 2162876 CCOCC(=O)NC1=CC=CC=C1C(=O)OCC 1 1.239 1 4 0 -13.7467976673111 2162873 CCCCC1=CC=C(C=C1)NC(=O)COCC 1 2.89 1 2 -7.22901958920464 2162841 CCOCC(=O)NC1=CC=CC(=C1)NC(=O)C 1 0.156 2 3 0 -9.64152252485628 2162831 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.542 2 3 -6.54929473747174 2162825 CCC1=C(N=C(S1)NC(=O)COCC)C2=CC=CC=C2 1 2.792 2 2 -3.79608890602827 2162823 CCCCC1=CC=C(C=C1)NS(=O)(=O)N(C)C 1 2.186 2 2 -2.00547680303605 2162809 CCOCC(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2 1 2.602 1 3 -7.39030314626297 2162790 CCOCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2 1 1.851 2 4 0 -11.6559762210505 2162783 CCCCN(CC)C(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 4.439 1 1 -5.42728369003273 2162777 C1CN(CCN1C(=O)COC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)C4=CN=CC=C4 1 2.328 3 3 -7.0509270284443 2162773 CCOCC(=O)NC1=NN=C(S1)COC 1 -0.494 3 3 0 -13.4869346225256 2162765 CCOCC(=O)N1CCN(CC1)C2=CC=C(C=C2)F 1 1.499 2 2 0 -3.46547173336648 2162758 CCOC(=O)C1CCN(CC1)C(=O)/C(=C\C2=CC=CC=C2)/C 1 2.834 1 3 -11.2111065111032 2162754 CCOCC(=O)NCC1=CC2=C(C=C1)OCO2 1 0.81 1 4 0 -12.2637553458428 2162753 CC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2 1 3.158 3 1 -2.09157473245081 2162726 C1COCCN1CCCNC(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.255 2 2 -7.5327860340654 2162720 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC=CO2 1 1.72 1 6 0 -11.4543658411413 2162673 COC(=O)NC1=C(C2=C(S1)CCCCCC2)C(=O)N 1 2.677 2 3 -11.054507575836 2162636 CCOCC(=O)NC1=CC(=CC=C1)Br 1 1.784 1 2 0 -5.16546178722191 2162631 CCOCC1=NN=C(S1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 2.694 3 3 -13.2305088934527 2162626 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=CO3 1 2.588 2 3 -12.751504121346 2162595 CC1=C2C(=CC(=O)N=C2N(N1)C3=CC=CC=C3)C(F)(F)F 1 2.222 3 1 -3.8541795890007 2162594 CC1=CC(=O)N=C(N1)SCC(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.723 5 6 0 -27.8696602326524 2162577 CC1=NN=C(S1)SCC(=O)NC2=CC=CC=C2NC(=O)CSC3=NN=C(S3)C 1 1.655 6 2 0 -18.0674899095016 2162573 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4 1 3.337 3 3 -9.61563265781005 2162494 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.752 3 6 0 -22.0225147298143 2162441 CCCCC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.834 5 3 0 -15.6092858544359 2162431 CCC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CS3 1 0.76 3 3 0 -21.5613073463377 2162404 CC(=O)NCCNC(=S)NC1=CC=C(C=C1)OC 1 1.688 3 2 0 -11.4185966373563 2162395 CC1=CC=C(C=C1)NC(=O)CN2C(=O)CNC2=O 1 0.168 3 3 0 -9.81681589461214 2162390 CCOCCCNC(=O)C1=C(C=C(C=C1)SC)OC 1 1.843 1 3 0 -10.6701974331399 2162384 COC1=CC=C(C=C1)/C=C/C(=O)N2CCC(CC2)C(=O)OC 1 2.022 1 4 -6.1776505997567 2162375 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.936 2 4 -12.1930615390415 2162339 C1COC2=C(O1)C=CC(=C2)NC(=O)/C=C/C3=CC=CO3 1 2.263 1 4 -8.71393522015857 2162320 CC1=C(C(=NN1CC(=O)N2CCC3=CC=CC=C3C2)C)[N+](=O)[O-] 1 1.726 4 3 0 -13.007924132784 2162305 CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCCCC2 1 3.834 3 2 -13.5259937847752 2162219 CCCCN(CC)C(=O)CC1=CC=C(C=C1)Br 1 3.704 1 1 -9.67953466203661 2162211 C1=CC=C(C(=C1)C(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])F 1 2.938 3 5 0 -14.9110769642986 2162207 CC1=CC(=NC=C1)NC(=O)C2=C(C=C(C=C2)SC)OC 1 3.014 2 2 -1.11603520669905 2162155 CC(C)(C)CC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.698 3 3 -13.7622654869222 2162147 CCN(CC)CCNC(=S)NC1=CC=C(C=C1)Cl 1 4.013 3 0 -6.5696561898315 2162137 CCCCOCCCNC(=O)CC1=CC=CS1 1 2.286 1 2 -15.57650160945 2162129 CC(C)CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.321 4 4 0 -8.50124665337781 2162127 CCN(CC)CCNC(=S)NC1=CC=C(C=C1)F 1 3.554 3 0 -7.67977785495307 2162125 CC(C)(C)CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.527 4 4 0 -11.10628455601 2162118 CCOC(=O)C(=O)N1CCC(CC1)C(=O)OC 1 0.257 1 5 0 -8.0504523140991 2162034 CC1=CC(=C(N1C2=CC(=C(C=C2)C(=O)O)Cl)C)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=CC=C4 1 4.108 3 5 0 -4.15916835909722 2161899 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCCC4=CC=CC=C43)C 1 5.109 1 2 -7.80790355079713 2161878 C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 1 3.933 4 3 0 -20.5127054963449 2161874 C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=C(C=CC(=N3)Cl)Cl 1 3.418 2 3 -15.8758242170078 2161865 COC1=C(C=C(C=C1)Cl)NC(=O)CN2CCC3=CC=CC=C32 1 3.351 2 2 -12.0724592288048 2161858 CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCC4=CC=CC=C43)Cl 1 4.83 1 2 -9.55240188217778 2161841 CC1=C(N=C(N=C1C)SCC(=O)N2CC(=O)NC3=CC=CC=C32)C 1 1.814 4 2 0 -14.4514052492051 2161840 COC1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3 1 2.261 2 5 0 -13.971004399747 2161831 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N 1 3.413 3 3 -16.3912984355137 2161820 CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=NC3=CC=CC=C3N2 1 3.545 4 2 -14.0682729102288 2161816 C1=CC=C(C=C1)SCC(=O)NC2=NC3=CC=CC=C3N2 1 3.065 3 1 -3.70620840077379 2161807 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)C 1 3.148 2 2 -1.37151970930811 2161805 C1OC2=C(O1)C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 1.715 1 6 0 -8.45967519865497 2161790 C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl 1 2.413 2 3 2.44825967734313 2161781 CN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)F)C3=CC=NC=C3 1 3.288 4 1 -5.43996354521804 2161776 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=C(C=C5)Cl 1 4.26 4 4 0 -14.1993430446671 2161761 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4 1 5.015 3 2 -9.37855098051462 2161759 CC(C)(C)NC(=O)NC(=O)CN1CCN(CC1)C2=CC=CC=C2 1 1.72 4 2 0 -7.17786870476983 2161746 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.252 3 3 -7.76390934846754 2161743 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CN=C(C=C3)Cl 1 3.129 3 2 -4.8472964042698 2161731 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=N3 1 1.667 2 3 0 -11.1130053188433 2161726 CC(C)C1=CC=CC=C1NC(=O)CCC2=NC3=CC=CC=C3S2 1 4.369 2 1 -6.76160627414185 2161722 CC(C)[C@@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.12 3 6 0 -22.1595195107851 2161721 C1=CC=C(C=C1)CNC(=O)CCC(=O)C2=CC=CS2 1 2.53 1 2 -15.8697277247817 2161711 C1=CC(=CC=C1CCNC(=O)C2=CNC(=O)C=C2)S(=O)(=O)N 1 -0.546 3 4 0 -15.9179592389928 2161709 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.352 4 4 0 -15.3751545019718 2161700 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.682 3 5 0 -23.4760284313504 2161698 CC(C)(C)C1CCC(CC1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 3.276 2 3 -17.7056007308485 2161691 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.876 4 4 0 -16.2906680804649 2161677 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4)C 1 4.061 4 2 -5.72989380054818 2161667 C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C#N 1 4.062 5 1 -1.19247254502283 2161642 CSC1=C(C=CC=N1)C(=O)NC2=NN=C(S2)C3CC3 1 2.037 4 1 -14.283059637911 2161641 CCOC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 1.82 4 4 0 -14.3500822489898 2161638 CSC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 2.029 4 3 0 -15.5771963584415 2161628 CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CO3 1 3.177 2 2 -4.58744436276484 2161627 CCSC1=NN=C(S1)NC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.09 6 1 0 -9.84855850975771 2161611 C1CC1C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54 1 2.875 4 3 0 -24.2232110357454 2161595 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N=CC=C3)Cl 1 2.112 2 3 -6.9588580115337 2161594 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=CC=C3 1 3.406 2 2 -3.41463451475995 2161573 CC(C)CNC(=O)CCCSC1=NC2=CC=CC=C2N1 1 3.25 3 1 -15.3335113597096 2161567 COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3CCCC3=O)OC 1 1.87 2 6 0 -23.9456338133178 2161565 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CO3)C 1 2.165 3 4 0 -17.2594423947927 2161558 CN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)C 1 -2.3e-002 6 3 0 -24.7852126875284 2161555 COCCNC(=O)COC1=C2C(=CSC2=NC=N1)C3=CC=C(C=C3)F 1 2.287 3 3 -9.44432517106524 2161552 COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=NNC3=CC=CC=C32)OC 1 2.368 3 5 0 -23.3911893201687 2161548 CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)C)NC(=O)N 1 2.069 3 2 -16.5085353396834 2161544 CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.521 3 4 0 -24.8374823887941 2161540 COC1=CC=CC=C1C(=O)NCC(=O)OCC2=CC=C(C=C2)Br 1 3.06 1 4 -11.7332524441771 2161535 C1=CC=C(C(=C1)C2=NN=C(O2)COC3=CC=C(C=C3)Cl)Br 1 4.302 2 2 -3.20828868300065 2161504 C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 2.629 5 3 0 -16.4813113386396 2161450 CC1=NC2=CC=CC=C2C(=C1)C(=O)NCCC3=CC=C(C=C3)Cl 1 4.076 2 1 -5.2900017689271 2161460 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=CC=C3SC 1 2.362 4 2 -15.1315780858392 2161488 COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC(=O)NCC3=CC=CO3 1 1.538 4 4 0 -5.69834386201499 2161481 C1COCCN1C2=CC=CC=C2NC(=O)C3=CN=C(C=C3)Cl 1 2.187 3 2 -8.71735477088497 2161474 C1=CC=C(C(=C1)CNC(=O)CCCSC2=NC3=CC=CC=C3N2)Cl 1 4.306 3 1 -16.12731140098 2161429 CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=CC=C3Cl)C 1 3.523 3 3 -10.0402444567098 2161359 CC1=CC=C(C=C1)S(=O)(=O)N(CCCOC)CC(=O)NCC2=CC=CC=C2 1 2.007 2 4 -21.9159816690566 2161358 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl 1 3.874 3 5 0 -11.6255787505544 2161272 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 0.731 3 5 0 -20.1547749893511 2161257 CC1=NN(C(=C1C(=O)NC2=CC(=C(C=C2)OC)Cl)Cl)CC3=CC=CC=C3Cl 1 4.902 3 2 -10.5961451168219 2161248 CCOC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 2.851 2 4 -13.6033055998654 2161246 CC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C 1 1.896 5 2 0 -16.4862814995724 2161245 COC1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CN=CC=C3 1 2.426 3 2 -3.21248815628954 2188831 CC1=CC=C(C=C1)S(=O)(=O)NCCCNS(=O)(=O)C 1 0.272 2 4 0 -7.91632595947443 2188800 CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 3.423 3 4 0 -13.8088070903546 2188733 COC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3OC 1 2.816 3 4 0 -14.0754739745994 2188705 COC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CC=C)C=C3C(=O)NC(=O)NC3=O 1 3.052 2 7 0 -16.1575763460229 2188688 CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)OC 1 3.524 3 3 -11.6430489707925 2188670 CC1=CC(=NC=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 2.766 4 1 -6.31623963272967 2188632 CN(C)C1=CC=C(C=C1)N/C=C/C(=O)C2=CC=CC=C2 1 3.205 2 1 -2.75664475371872 2188598 CC1=C(C=CC(=C1)N2CCOCC2)/C=C\3/C(=O)N(C(=O)N3)CC4=CC=CC=C4 1 2.862 3 3 -2.83495585373327 2188596 CCCCSC1=NN=C(O1)C2=CC=C(C=C2)C 1 4.027 2 1 -4.59358256282476 2188594 CCCOC1=C(C=C(C=C1)CC(=O)NCCC2=CC=CC=C2)OC 1 3.817 1 3 -13.5359386897396 2188561 CCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2 1 2.807 2 3 -12.8129843209927 2188560 CCOC(=O)CSCC(=O)NC1=C(C=CC(=C1)C)C 1 2.459 1 3 -13.7956035662018 2188534 CN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=CC=C2 1 1.586 2 3 0 -11.1024287875141 2188522 CN(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 1 1.911 2 3 0 -14.5466245779648 2188417 CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)CNC(=O)COC3=C(C=CC=C3C)C 1 2.258 6 3 0 -25.6433964985799 2188390 CCCOC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2 1 3.798 1 2 -7.74439535704385 2188356 CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 4.947 3 5 0 -13.12266062782 2188325 CN=C1N(C(=O)/C(=C/C2=CC(=C(C=C2)N3CCCC3)F)/S1)C 1 3.237 3 1 -3.42758012731703 2188292 CC1=CC=C(O1)/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3Cl 1 2.858 2 4 -2.27085189212966 2188279 CC(C)NC(=O)CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.413 3 5 0 -22.4996830237869 2188252 CS(=O)(=O)N(CC(=O)NCCSCC1=CC=CC=C1)C2=CC=CC=C2 1 2.204 2 3 -19.2761784239033 2188248 CN(C)C(=O)/C(=C/C1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 3.3 3 5 0 -11.5568709970047 2188247 CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)NCC3=CC=CO3 1 4.114 2 3 -16.974611434443 2188237 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CO4 1 3.936 2 2 -10.351072222483 2188156 CC1=CC=C(C=C1)CNC(=O)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.669 2 4 -14.0123094794356 2188154 COCCCNC(=O)C1=CC=CC=C1OC2=CC=CC=C2 1 2.529 1 3 -10.132985342444 2188098 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)F)/C(=O)NCCN3CCOCC3 1 2.512 3 3 -19.6929899806306 2188092 CCOC1=C(C=CC(=C1)C=O)OCCSC2=CC=C(C=C2)C 1 4.581 0 3 -6.49402457041728 2187941 CCN1C(=O)/C(=C\C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])OC)/SC1=NC4=CC=CC(=C4)C(=O)O 1 5.046 3 7 0 -2.58432901702041 2188061 C1=CC=C(C=C1)C(=O)/C=C/NC2=CC=CC=C2C(=O)N 1 2.045 2 2 -1.66004483412365 2187956 C#CCOC1=C(C=C(C=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)CC(=O)O)Br 1 4.288 1 5 -24.4469278973368 2187913 CC1=CC=C(C=C1)/C=C(/C(=O)N2CCCCC2)\NC(=O)C3=CC=CC=C3 1 3.604 2 2 -18.3420010284816 2187911 COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CS3)/N(C2=S)CC(=O)OC 1 3.792 2 4 -9.10251758316379 2187898 CCN1C(=O)/C(=C/C2=C(C=C(C=C2)N(CC)CC)OC)/C(=O)NC1=S 1 3.161 3 3 -4.72058993064142 2187895 CC1=CC=CC=C1NC(=O)CSCCO 1 1.378 1 2 0 -10.3108321781895 2161237 CC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)NC3=NN=C(S3)C 1 2.825 4 1 -9.28000382075456 2161219 C1CN(C2=CC=CC=C21)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5 1 3.042 4 3 0 -25.8512550427296 2161217 CC1=C(N=C(N=C1C)SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C 1 2.651 4 2 -9.14801315993588 2161196 CC1=C(C(=NN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C)[N+](=O)[O-] 1 0.652 5 5 0 -23.8833536605698 2161188 CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)CSC3=NN=C(S3)N 1 3.597 4 1 -13.4258934229715 2161180 C1=COC(=C1)CNC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl 1 2.918 3 2 -10.2288717523287 2161174 C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=CC=CC=C3Cl)C4=CC=C(C=C4)F 1 5.654 3 1 -8.67885084925151 2161166 CC1=CC=CC(=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 4.152 4 1 -6.08884698320914 2161152 CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3 1 4.918 3 4 0 -8.18714138666751 2161148 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C 1 3.398 1 7 0 -11.0934923196797 2161142 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CNC4=CC=CC=C43 1 3.725 2 5 0 -20.5987446205022 2161132 CN(C1CCCCC1)C(=O)COC2=C3C=CSC3=NC=N2 1 2.758 3 2 -9.4472227944759 2161124 CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)NC3=NC=C(C=C3)Cl 1 4.256 3 2 -2.52880491713393 2161120 CC(C)(C)NC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 0.461 4 6 0 -27.1506827596364 2161110 CC1=CSC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.501 3 3 0 -29.2392106441183 2161090 C1CN(C2=CC=CC=C21)CC(=O)NC(=O)NCC3=CC=CO3 1 1.672 3 3 0 -15.9855293138564 2161087 C1CN(CCN1CC(=O)NC(=O)NCC2=CC=CO2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.078 4 3 0 -13.3919055716009 2161074 C1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=C(N=CC=C3)Cl 1 2.659 5 1 -14.0825892738787 2161037 C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4 1 2.651 2 4 -16.9383489638119 2161033 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)C2=CC=C(C=C2)C(F)(F)F 1 3.582 2 2 -8.20646000846808 2160985 C1=CC=C(C(=C1)COC2=CC=CC=C2C(=O)O)Br 1 3.775 0 3 -3.31762249977133 2160979 C1C=C(CS1(=O)=O)CN(C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)F 1 2.64 1 4 -5.60217624906831 2160949 CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=C(ON=C4C5=C(C=CC=C5Cl)F)C)C(C)C 1 4.047 5 5 0 -22.8866533321239 2160948 CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=C(ON=C4C5=CC=CC=C5Cl)C)C(C)C 1 3.841 5 5 0 -19.8820032779016 2160945 CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=CC=CO4)C(C)C 1 2.026 4 5 0 -17.5019803498628 2160893 CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=C(ON=C4C5=C(C=CC=C5Cl)F)C)C 1 3.321 5 5 0 -22.0551931590598 2187862 CC1=CC=C(C=C1)/C=C(/C(=O)OCC2=CC=CC=C2)\NC(=O)C3=CC=CC=C3 1 4.711 1 3 -12.4808479016281 2187859 CCOC1=C(C=CC(=C1)/C=C/2\C(=N)N3C(=NC2=O)SC=N3)OS(=O)(=O)C4=CC=CC=C4 1 3.819 4 5 0 -22.6409735778003 2187831 COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)CC(=O)O)Cl)OCC#C 1 4.188 1 6 0 -23.5473446115282 2187775 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NC3=CC=CC(=C3)C(=O)O 1 3.082 2 5 0 -15.5541267085312 2187768 C1=CC=C(C(=C1)C(=O)N)N/C=C/C(=O)C2=CC=C(C=C2)F 1 2.25 2 2 1.58927558633531e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l)/SC2=S)C 1 4.927 2 1 -3.18069866050551 2187593 CC(C)(C)C(=O)/C=C/NC1=CC=CC=C1O 1 2.673 1 2 -1.34917194181133 2187583 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)[N+](=O)[O-] 1 3.954 3 5 0 -12.9496144462864 2187567 CCOC(=O)/C(=C(/N)\NCCO)/C(=O)C1=CC=CC=C1 1 0.594 2 4 0 -7.54257950296092 2187565 CC1=CC=C(C=C1)S(=O)(=O)NCCCNC(=O)N2CCOCC2 1 0.371 3 4 0 -16.3604312990942 2187558 C=CCN1C(=O)/C(=C\C2=CC=C(O2)SC3=NC4=CC=CC=C4N3)/SC1=O 1 4.46 3 3 -6.63523927257504 2187524 CCC1=C(C2=C(C=C(C=C2)OCC(=O)OCC=C)OC1=O)C 1 3.556 0 5 -16.2595006800652 2187510 CC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCCCC3)N 1 3.925 3 1 -6.31298681225296 2187445 CC1=C(C=CC(=C1)N2CCCC2)/C=C\3/C(=O)N(C(=S)N3)C 1 3.145 3 1 -0.592447588443466 2187442 C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=CS3)/C(=O)NC2=O)Cl 1 3.271 2 3 -3.10889677340178 2187441 C/C(=C\C1=CC=CC=C1)/C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 4.729 2 1 1.7288693212157 2187440 CC1=C(C=CC(=C1)N2CCCC2)/C=C\3/C(=O)N(C(=S)S3)CCOC 1 4.025 2 2 -5.35696493647521 2187432 C1=COC(=C1)CN2C(=O)/C(=C\C3=CC=CS3)/C(=O)NC2=S 1 2.688 2 3 -3.14888668078978 2187430 CCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.783 3 5 0 -17.4896723671351 2187419 CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)COC2=CC=CC=C2Cl 1 4.965 3 3 -13.5397733395111 2187415 C1C(=O)N(C(=O)N(C1=O)CCC2=CC=CC=C2)CCC3=CC=CC=C3 1 3.174 2 3 -4.63022808850982 2187372 C1CCN(C1)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.967 3 4 0 -8.84927817036448 2187364 CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=CC=C2 1 4.5 3 2 -13.6579688379322 2187358 C1=CC=C2C(=C1)C(=CS2(=O)=O)OC3=CC=C(C=C3)F 1 2.514 0 3 4.26975536781031e-002 2187354 CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CS2 1 4.377 2 3 -17.8291139294181 2160640 CCCCNC(=O)NC1(OC2=CC=CC=C2O1)C(F)(F)F 1 4.076 2 3 -9.13789201488607 2160621 C1COC2=C(O1)C=CC(=C2)NC(=O)NC3(OC4=CC=CC=C4O3)C(F)(F)F 1 4.109 2 5 0 -6.27985844713885 2160620 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3(OC4=CC=CC=C4O3)C(F)(F)F 1 4.092 2 5 0 -4.83455729357041 2160609 COC1=CC=CC(=C1)NC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F 1 4.307 2 4 -1.97545356762792 2160596 C1CC2=CC=CC=C2N(C1)C(=O)NC(=O)C3=CC=CC=C3 1 3.131 2 2 -9.33182256558776 2160569 CC(C)N1CCC2=C(C1)SC(=C2C(=O)NC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4 1 3.255 4 4 0 -23.6459935242722 2160567 CC(C)N1CCC2=C(C1)SC(=C2C(=O)NC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.139 4 4 0 -30.9212490387537 2160557 CCN1CCC2=C(C1)SC(=C2C(=O)NC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4 1 2.877 4 4 0 -21.2699390371526 2160545 CNC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54 1 3.06 4 4 0 -28.9619791388121 2160501 CC1=CC=CC=C1N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC5=CC=CC=C5OC4=O 1 2.887 3 4 0 -14.3615693661579 2160497 CC(C)(C)N1C(=C2CS(=O)CC2=N1)NC(=O)CC3=CC=CC4=CC=CC=C43 1 2.669 3 2 -6.57042772987986 2160486 CC1=CC=C(C=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC=C(C=C4)OC(C)C 1 3.567 3 3 -5.43929977666426 2160482 COC1=CC=C(C=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 1 1.159 4 6 0 -20.5352067369936 2160481 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C4CS(=O)CC4=NN3C5=CC=C(C=C5)F 1 1.381 4 5 0 -19.4103635023842 2160478 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C4CS(=O)CC4=NN3C5=CC=CC=C5 1 1.175 4 5 0 -20.7887330384371 2160470 CC(C)(C)N1C(=C2CS(=O)CC2=N1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 1.76 4 4 0 -21.2526227535826 2160447 C1C2=C(N(N=C2CS1=O)C3=CC=CC=C3)NC(=O)C4=CC=CO4 1 1.766 3 3 0 -3.68317582644707 2160439 CC1=CC=CC=C1N2C(=C3CS(=O)CC3=N2)NC(=O)C4=C(C(=CC=C4)OC)OC 1 2.824 3 4 0 -10.4907835346071 2160438 CC1=C(C(=CC=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=C(C(=CC=C4)OC)OC)C 1 3.31 3 4 0 -7.88526243224218 2160412 COC1=CC=C(C=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=C(C=CC=C4Cl)F 1 3.224 3 3 -5.61235935827398 2160393 CC(C)(C)N1C(=C2CS(=O)CC2=N1)NC(=O)C3=CC(=CC=C3)C(F)(F)F 1 2.668 3 2 -3.91528384015908 2160380 CCOC1=CC=C(C=C1)C(=O)NC2=C3CS(=O)CC3=NN2C4=CC=CC(=C4C)C 1 3.676 3 3 -6.12344640935461 2160378 CCOC1=CC=C(C=C1)C(=O)NC2=C3CS(=O)CC3=NN2C4=CC=C(C=C4)F 1 2.909 3 3 -4.29245382290837 2160372 COC1=CC=C(C=C1)C(=O)NC2=C3CS(=O)CC3=NN2C4=CC(=CC=C4)Cl 1 3.019 3 3 -0.350423073414111 2160365 CC1=C(C(=CC=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC=CC=C4OC)C 1 3.327 3 3 -6.80795763157097 2160348 CC1=CC=CC=C1N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC(=CC=C4)F 1 3.062 3 2 -7.14901217175739 2160337 CC(C)(C)N1C(=C2CS(=O)CC2=N1)NC(=O)C3=CC=C(C=C3)Br 1 2.474 3 2 -6.54836748921898 2160329 CC1=CC=C(C=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC=CC=C4Br 1 3.605 3 2 -3.15192976732728 2160312 CC1=CC=CC=C1N2C(=C3CS(=O)CC3=N2)NC(=O)COC4=CC=C(C=C4)Cl 1 3.357 3 3 -6.01710057695165 2160307 CC1=C(C(=CC=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)CC4=CC=C(C=C4)OC)C 1 3.362 3 3 -5.55528106489403 2160304 COC1=CC=C(C=C1)CC(=O)NC2=C3CS(=O)CC3=NN2C4=CC(=CC=C4)Cl 1 3.054 3 3 -0.548480880661552 2160302 CC(C)(C)N1C(=C2CS(=O)CC2=N1)NC(=O)CC3=CC=C(C=C3)OC 1 1.744 3 3 0 -7.52473045109594 2160297 C1C2=C(N(N=C2CS1=O)C3=CC=CC=C3)NC(=O)COC4=CC=CC=C4 1 2.206 3 3 -5.23584768114264 2160274 CC1=CC(=C(C=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C)C 1 1.679 3 2 0 -5.47112815130149 2160273 CC(=O)NC1=C2CS(=O)CC2=NN1C3=CC=CC=C3 1 0.706 3 2 0 -3.81292571100424 2160268 CC(C)(C)N1C(=C2CS(=O)CC2=N1)NC(=O)C3=CC=C(O3)Br 1 1.689 3 3 0 -7.32106402096623 2160267 CC1=C(C(=CC=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)CCC4CCCCC4)C 1 4.507 3 2 -9.02151575829778 2160265 C1CCC(CC1)CCC(=O)NC2=C3CS(=O)CC3=NN2C4=CC=C(C=C4)F 1 3.74 3 2 -7.19052317185154 2160264 CC1=CC=C(C=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)CCC4CCCCC4 1 4.021 3 2 -7.90240019731679 2160249 CCOC1=C(C=C(C=C1)C(=O)NC2=C3CS(=O)CC3=NN2C4=CC=C(C=C4)C)OCC 1 3.522 3 4 0 -10.0574211685993 2160236 CC1=CC(=CC=C1)CC(=O)NC2=C3CS(=O)CC3=NN2C4=CC=C(C=C4)OC 1 2.875 3 3 -3.15578612579498 2160232 C1C2=C(N(N=C2CS1=O)C3=CC=C(C=C3)F)NC(=O)C4=CC5=C(C=C4)OCO5 1 2.344 3 4 0 -5.41050312062109 2160231 C1C2=C(N(N=C2CS1=O)C3=CC(=CC=C3)Cl)NC(=O)C4=CC5=C(C=C4)OCO5 1 2.803 3 4 0 -2.3745334270565 2160228 CC(C)(C)N1C(=C2CS(=O)CC2=N1)NC(=O)CCCC3=CC=CC=C3 1 2.673 3 2 -9.17178017674356 2160221 CC(C)(C)N1C(=C2CS(=O)CC2=N1)NC(=O)COC3=CC4=CC=CC=C4C=C3 1 2.469 3 3 -4.33013378549306 2160217 C1C2=C(N(N=C2CS1=O)C3=CC(=CC=C3)Cl)NC(=O)CC4=CC=C(C=C4)F 1 3.275 3 2 0.57636235394784 2160213 CC1=C(C(=CC=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)CC4=CC(=C(C=C4)OC)OC)C 1 3.345 3 4 0 -9.53211778438723 2160207 COC1=CC=C(C=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4CCCC4 1 2.36 3 3 -3.61728503869022e-002 2187328 CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 2.349 4 4 0 -18.3929513244359 2187316 CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C 1 2.801 3 2 -13.9731906218745 2187315 CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 4.441 3 5 0 -10.1679997808922 2187295 CC1=CC=C(C=C1)S(=O)(=O)NCCCNC(=O)C2=CC=CC=C2 1 2.146 2 3 -13.1914815719019 2187291 CCC1=CC=CC=C1N=C2N(C(=O)/C(=C\C3=CC=CC=C3OCC(=O)N4CCOCC4)/S2)C 1 3.864 3 4 0 -10.4620653987883 2187258 CC1=CC=C(C=C1)OCCC(=O)NC2=C(C=C(C=C2)OC)OC 1 3.151 1 4 -10.3274080928089 2187236 CC1=NN=C(S1)SCCC(=O)NC2=NC(=NS2)C3=CC=CC=C3 1 2.481 5 1 -11.6028975005053 2187179 CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CN=C(N=C3)C4=CC=CC=C4)/C(=O)NC2=O 1 2.974 4 3 0 5.0262958060576 2187172 CCN1C(=C(C(=NC1=S)N2CCCC2)C(=O)C)C 1 2.098 3 1 -5.97385991091842 2186960 CN(C)CCCNC(=O)C1CCNCC1 1 -0.335 3 1 0 -12.5822270704172 2186937 CC1=CC=C(C=C1)OCCSCC2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)Cl 1 4.521 4 2 -7.71633938927223 2186879 CC1=CC=C(C=C1)OCCC(=O)NC2=CC(=C(C=C2)F)F 1 3.595 1 2 -4.77761402855028 2186870 CC1=CC=CC=C1C(=O)NCCCC2=CC=CC=C2 1 3.885 1 1 -11.5637838502237 2186866 COC1=CC(=CC(=C1OC)OC)C(=O)NCCCC2=CC=CC=C2 1 3.349 1 4 -12.1289502541834 2186782 CC1=C(SC(=N1)NC2=NC(=CC(=N2)OC)OC)C(=O)C 1 1.841 4 3 0 -9.16238322883519 2186768 C/C(=C\C1=CC=CC=C1)/C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.758 4 3 0 -11.820653822106 2186757 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(C=C(C=C3)N4CCOCC4)C)/C(=O)NC2=O 1 3.315 3 5 0 -2.2756024676689 2186745 CCOC1=CC=CC=C1N/C=C/C(=O)C(C)(C)C 1 3.248 1 2 -6.80237050006952 2186741 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4Cl 1 4.115 3 5 0 -7.01157025945927 2186738 CCCCNS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C(C=C2C)C)C 1 4.016 2 4 -4.92690216248696 2186735 COC1=C(C=CC(=C1)/C=C/2\C(=N)N3C(=NC2=O)SC=N3)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] 1 3.365 5 7 0 -23.9212713759902 2186734 C1=CC=C(C(=C1)CN2C(=O)/C(=C\C3=CC=CS3)/NC2=O)F 1 2.685 2 2 -5.19629875330248 2186728 C1=CC=C(C(=C1)C(=O)N)N/C=C/C(=O)C2=CC=C(C=C2)Cl 1 2.709 2 2 1.12601442098492 2186725 COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 3.382 2 3 -6.26257901257422 2186569 CCCCC1=NC(=C(O1)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.847 2 4 -11.9294586422198 2186562 COC1=CC=C(C=C1)/C=C/C(=O)NCC(=O)OC 1 1.196 1 4 0 -10.7620699918976 2186540 C1=CC=C2C(=C1)C=CC=C2C(=O)N/C(=C/C3=CC=CO3)/C(=O)O 1 2.72 1 4 -8.5550392437353 2186538 C1COCCN1CC(=O)NCCNS(=O)(=O)C2=CC=CC=C2 1 -0.373 3 4 0 -16.3306699762764 2186453 CCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 4.065 3 4 0 -16.9606178914793 2186468 C1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.492 3 5 0 -13.7483833555967 2186495 CCCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)Br 1 4.062 2 2 -10.6309516804769 2186494 CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O)[N+](=O)[O-] 1 4.262 3 5 0 -14.2689256753055 2186482 CN1C=CC=C1/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3Cl 1 2.909 3 3 -5.11247440037676 2159450 CC1=C(C=C(C=C1)NC(=O)COC2=NSN=C2N3CCOCC3)Cl 1 2.271 4 3 0 -6.20109683488979 2159449 CCOC1=CC=C(C=C1)NC(=O)COC2=NSN=C2N3CCOCC3 1 1.453 4 4 0 -7.53171449239661 2159447 CCOC1=CC=C(C=C1)NC(=O)COC2=NSN=C2N3CCCCC3 1 2.682 4 3 0 -5.94262836968384 2159446 CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -2.1e-002 5 6 0 -37.3570562979497 2159445 CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.209 5 5 0 -35.3988735765 2159444 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)OC 1 0.989 5 5 0 -31.0728805407768 2159443 CCOC(=O)CSC1=NN=C(N1C)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 0.641 5 5 0 -27.453925528012 2159442 CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 0.292 5 5 0 -26.6309913899448 2159437 CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2OC)CNC(=O)C3=CC(=CC=C3)C 1 3.57 4 4 0 -25.0012683495036 2159436 CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)OC 1 3.221 4 4 0 -24.080604311162 2159428 CCOC(=O)CSC1=NN=C(N1C)CNC(=O)C2=CC(=C(C=C2)OC)OC 1 1.491 4 5 0 -26.7828187966603 2159427 CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC(=C(C=C2)OC)OC 1 1.142 4 5 0 -25.8621547583187 2159423 CCOC(=O)CSC1=NN=C(N1C)CNC(=O)C2=C(C=C(C=C2)OC)OC 1 1.491 4 5 0 -22.3749691139052 2159422 CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=C(C=C(C=C2)OC)OC 1 1.142 4 5 0 -21.4543050755636 2159421 CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=CO3 1 2.701 4 4 0 -21.0547917185574 2159412 CCOC(=O)CSC1=NN=C(N1C)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.418 5 5 0 -23.9772891830461 2159408 CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)CNC(=O)C3=CC=CC=C3OC 1 3.067 4 5 0 -24.41356113703 2159407 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)CNC(=O)C3=CC=CC=C3OC 1 2.719 4 5 0 -23.4928970986884 2159405 CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC=CC=C2OC 1 1.158 4 4 0 -23.1816888151905 2159401 CCOC(=O)CSC1=NN=C(N1C2=C(C=CC(=C2)OC)OC)CNC(=O)C3=CC=CS3 1 3.021 4 5 0 -25.5986104224051 2159400 COC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)OC)CNC(=O)C3=CC=CS3 1 2.672 4 5 0 -24.6779463840635 2159398 CCOC(=O)CSC1=NN=C(N1C2=C(C=CC(=C2)C)C)CNC(=O)C3=CC=CS3 1 4.026 4 3 0 -23.9877452140863 2159397 CCOC(=O)CSC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)C3=CC=CS3 1 3.54 4 3 0 -21.0975397115629 2159396 CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)OC)CNC(=O)C3=CC=CS3 1 3.191 4 3 0 -20.2746055734957 2159395 CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=CS3 1 3.054 4 3 0 -24.0875721198969 2159394 CCOC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C3=CC=CS3 1 3.382 4 3 0 -27.7533342006904 2159393 CCOC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C3=CC=CS3 1 3.061 4 3 0 -27.0085750831185 2159378 COC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=CC=C3F 1 3.162 4 3 0 -22.9006166537384 2159373 COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=CC=C3F 1 2.957 4 3 0 -23.9239211304157 2159367 CCOC(=O)CSC1=NN=C(N1C)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.474 4 6 0 -25.7800572966157 2159366 CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.126 4 6 0 -24.8593932582741 2159364 COC1=CC(=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)OC)OC 1 2.924 4 5 0 -23.0292827596257 2159359 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1.65818794516961 2149933 C1=COC(=C1)C(=O)/C(=C/NC2=CC=C(C=C2)Br)/C(=O)C(F)(F)F 1 3.965 1 3 -1.03695340659157 2149793 COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)OC)N)OC 1 0.398 4 6 0 -22.6447668015774 2149694 CC1=CC(=NO1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3 1 -0.106 6 5 0 -24.6119054502389 2149735 COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N3CCCCCC3)N)OC 1 1.33 5 5 0 -23.3571993128593 2149720 C1=CC=C(C=C1)COC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3 1 1.409 4 5 0 -16.8717540412012 2149627 CC1=NN=C(S1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CS3 1 4.8e-002 7 3 0 -23.9914829081247 2149633 CCCCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CO2 1 1.447 4 3 0 -13.0745090236204 2149634 C=CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CO2 1 0.735 4 3 0 -13.5518770169491 2149635 C1CCN(C1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3 1 -0.155 5 4 0 -17.125908050898 2149636 C1CCCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3 1 0.758 5 4 0 -17.480376565066 2149674 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COC1=C(C=C(C=C1)CCNC(=O)CN2C=CC3=C(C2=O)C=CC=C3OCC(=O)OC)OC 1 1.555 2 7 0 -22.461693640599 2149571 COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCCC3=CC=CC=C3 1 1.587 2 5 0 -19.3064751271953 2149568 COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC=C(C=C3)F 1 1.472 2 5 0 -18.2739424822914 2149567 COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC=CC=C3 1 1.266 2 5 0 -19.898028639061 2149559 COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.045 2 7 0 -18.9085072924801 2149524 COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCCC4=CC=CC=C43 1 1.996 2 5 0 -17.864921208373 2149521 COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCCCC3 1 0.806 2 5 0 -16.1838272164869 2149419 CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCCC3=CC=CC=C3 1 1.936 2 5 0 -20.6834780564934 2149418 CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.383 2 7 0 -22.0580763742799 2149417 CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC=C(C=C3)F 1 1.82 2 5 0 -19.6509454115895 2149416 CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC=CC=C3 1 1.615 2 5 0 -21.2750315683591 2149378 CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N 1 -0.174 2 5 0 -13.228785040974 2149377 CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCC4=CC=CC=C43 1 1.889 2 5 0 -20.7712944645794 2149376 CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCCC4=CC=CC=C43 1 2.345 2 5 0 -19.2419241376711 2149375 CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCC(CC3)C 1 1.406 2 5 0 -20.2499397496895 2149373 CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCCCC3 1 1.155 2 5 0 -17.5608301457851 2149372 COC1=C(C=C(C=C1)CCNC(=O)CN2C=CC3=C(C2=O)C=CC=C3OC)OC 1 1.848 2 5 0 -17.2296867786521 2149371 COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCCC3=CC=CC=C3 1 1.88 2 3 0 -14.265423028024 2149366 COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3CCCCC3 1 1.834 2 3 0 -12.285466812351 2149365 COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3CCCC3 1 1.378 2 3 0 -11.9309982981829 2149353 COC1=CC=C(C=C1)NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OC 1 1.536 2 4 0 -9.70977783471326 2149348 COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=C(C=C(C=C3)F)F 1 1.963 2 3 0 -9.15551683632078 2148835 C1CN(C(=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 3.489 3 4 0 -20.4018722220293 2148825 C1CN(C(=N1)SCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.923 2 2 -13.6093490912856 2148823 C1CN(C(=N1)SCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 4.259 2 2 -15.0206783236918 2148819 C1CN(C(=N1)SCC2=CN=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.352 3 2 -15.3187344111567 2148817 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SCC3=CN=CC=C3 1 1.564 4 3 0 -22.3248880138502 2148815 C1CN(C(=N1)SCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.338 4 4 0 -19.3400960668233 2148813 COC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SCC3=CN=CC=C3 1 2.428 3 3 -17.6586644886102 2148811 C1CN(C(=N1)SCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.65 3 2 -16.5338212540008 2148809 C1CN(C(=N1)SCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.192 3 2 -16.8803593339807 2148807 C1CN(C(=N1)SCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.108 3 2 -15.4236995888793 2148804 CC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SCC3=CN=CC=C3 1 2.93 3 2 -17.2456982794661 2148802 C1CN(C(=N1)SCC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.444 3 2 -18.239102145227 2148800 CCCS(=O)(=O)N1CCN=C1SCC2=CN=CC=C2 1 1.74 3 2 0 -20.832292279325 2148798 CCS(=O)(=O)N1CCN=C1SCC2=CN=CC=C2 1 1.216 3 2 0 -18.492159906585 2148794 CC1=CC(=NN1C(=O)CCCCCC(=O)N2C(=CC(=N2)C)C)C 1 2.802 4 2 -9.90142984782735 2148784 CCCS(=O)(=O)N1CCN=C1SCC2=CC=CC3=CC=CC=C32 1 3.799 2 2 -17.7769568210299 2148763 C1CN(C(=N1)SCC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl 1 5.588 2 2 -13.4593010294826 2148762 CC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SCC3=CC(=C(C=C3)Cl)Cl 1 5.41 2 2 -14.4651707185509 2148761 C1CN(C(=N1)SCC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC=C3 1 4.923 2 2 -15.3611803577871 2148731 CC1=CC=C(C=C1)CSC2=NCCN2S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 3.201 3 3 -20.8656858101886 2148728 CC1=CC=C(C=C1)CSC2=NCCN2S(=O)(=O)C3=CC=C(C=C3)F 1 4.286 2 2 -15.0746190503392 2148724 CC1=CC=C(C=C1)CSC2=NCCN2S(=O)(=O)C3=CC=CC=C3 1 4.081 2 2 -16.6825057150406 2148723 CCCS(=O)(=O)N1CCN=C1SCC2=CC=C(C=C2)C 1 3.377 2 2 -19.3730900756634 2148712 CC1=CC(=C(C=C1)C)CSC2=NCCN2S(=O)(=O)C3=CC=CC=C3 1 4.567 2 2 -16.3482028930212 2148700 C1CN(C(=N1)SCC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3 1 4.259 2 2 -18.4988983866288 2148695 CC1=CC(=CC=C1)CSC2=NCCN2S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 3.201 3 3 -20.2739071285926 2148693 CC1=CC(=CC=C1)CSC2=NCCN2S(=O)(=O)C3=CC=C(C=C3)OC 1 4.064 2 3 -15.6076836033526 2148692 CC1=CC(=CC=C1)CSC2=NCCN2S(=O)(=O)C3=CC=C(C=C3)F 1 4.286 2 2 -14.4828403687432 2148687 CCCS(=O)(=O)N1CCN=C1SCC2=CC=CC(=C2)C 1 3.377 2 2 -18.7813113940674 2148677 CC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SCC3=C(C=CC=C3Cl)F 1 4.951 2 2 -17.7440438144269 2148676 C1CN(C(=N1)SCC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CC=C3 1 4.465 2 2 -18.7374476801879 2148671 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SCC3=CC=C(C=C3)[N+](=O)[O-] 1 2.609 4 5 0 -22.9600835975458 2148661 CS(=O)(=O)N1CCN=C1SCC2=CC=C(C=C2)[N+](=O)[O-] 1 1.912 3 4 0 -15.6469044394696 2148652 C1CN(C(=N1)SCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 4.259 2 2 -14.8605070244538 2148647 CC1=CC=CC=C1CSC2=NCCN2S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 3.201 3 3 -23.5385911691222 2148621 CS(=O)(=O)N1CCN=C1SCC2=CC=C(C=C2)Br 1 2.766 2 2 -13.187167706627 2148597 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SCC3=CC=C(C=C3)F 1 2.921 3 3 -20.1538087847233 2148596 C1CN(C(=N1)SCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.695 3 4 0 -17.1690168376964 2148589 CCCS(=O)(=O)N1CCN=C1SCC2=CC=C(C=C2)F 1 3.096 2 2 -18.6612130501981 2148588 CCS(=O)(=O)N1CCN=C1SCC2=CC=C(C=C2)F 1 2.572 2 2 -16.3210806774581 2148587 CS(=O)(=O)N1CCN=C1SCC2=CC=C(C=C2)F 1 2.223 2 2 -12.8406296266471 2148583 COC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SCC3=CC(=CC=C3)F 1 3.784 2 3 -14.9950827905765 2148581 C1CN(C(=N1)SCC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=C(C=C3)F 1 4.006 2 2 -14.7829105762849 2148580 C1CN(C(=N1)SCC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=C(C=C3)Br 1 4.549 2 2 -14.216777635947 2148576 CCCS(=O)(=O)N1CCN=C1SCC2=CC(=CC=C2)F 1 3.096 2 2 -18.1687105812913 2148575 CCS(=O)(=O)N1CCN=C1SCC2=CC(=CC=C2)F 1 2.572 2 2 -15.8285782085512 2148573 CS(=O)(=O)N1CCN=C1SCC2=CC(=CC=C2)F 1 2.223 2 2 -12.3481271577402 2148562 CC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SCC3=CC=CC=C3 1 4.081 2 2 -16.6013109805841 2148561 C1CN(C(=N1)SCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.595 2 2 -17.7903520818685 2148559 CCS(=O)(=O)N1CCN=C1SCC2=CC=CC=C2 1 2.367 2 2 -17.8477726077029 2148558 CS(=O)(=O)N1CCN=C1SCC2=CC=CC=C2 1 2.018 2 2 -14.367321556892 2148557 CCSC1=NCCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 3.268 2 2 -11.6938424436742 2148556 CCSC1=NCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.48 3 3 0 -18.7973902728925 2148553 CCSC1=NCCN1S(=O)(=O)C2=CC=C(C=C2)F 1 2.565 2 2 -13.0063235130431 2148551 CCSC1=NCCN1S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.024 2 2 -11.8962018479215 2148549 CCSC1=NCCN1S(=O)(=O)C2=CC=CC=C2 1 2.36 2 2 -14.6142101777445 2148547 CSC1=NCCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.92 2 2 -9.46301581474208 2148546 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SC 1 1.132 3 3 0 -16.5665636439604 2148543 CSC1=NCCN1S(=O)(=O)C2=CC=C(C=C2)F 1 2.217 2 2 -10.775496884111 2148541 CSC1=NCCN1S(=O)(=O)C2=CC=CC=C2 1 2.011 2 2 -12.3833835488124 2148535 C1=CC(=CC(=C1)Br)C(=O)NC2=CC(=O)NC(=O)N2 1 1.202 3 3 0 -11.6515097892225 2148531 C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=O)NC(=O)N2)Cl 1 1.783 3 3 0 -9.71175495888319 2148529 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC(=O)NC(=O)N2 1 1.396 3 3 0 -8.94154967427455 2148513 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC(=C(C=C2)F)F 1 1.277 3 3 0 -10.984778098544 2148510 CCOC1=CC=C(C=C1)CC(=O)NC2=CC(=O)N(C(=O)N2C)C 1 1.233 3 4 0 -13.6017163831283 2148509 CN1C(=CC(=O)N(C1=O)C)NC(=O)COC 1 -1.062 3 4 0 -13.4929659138237 2148508 CC(C)(C(=O)NC1=CC(=O)N(C(=O)N1C)C)OC2=CC=C(C=C2)Cl 1 2.161 3 4 0 -8.92822688233505 2148507 CC1=CC(=CC=C1)CC(=O)NC2=CC(=O)N(C(=O)N2C)C 1 1.387 3 3 0 -11.1421476441581 2148506 CC(C)(C)CC(=O)NC1=CC(=O)N(C(=O)N1C)C 1 0.783 3 3 0 -14.1652606623502 2148504 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -0.329 4 6 0 -28.3223285889663 2148503 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 0.9 4 5 0 -26.3641458675166 2148501 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 -1.7e-002 4 5 0 -17.5962636809614 2148499 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC=CC=C2C(F)(F)F 1 1.808 3 3 0 -11.0703130225397 2148495 CC1=CC=CC(=C1)C(=O)NC2=CC(=O)N(C(=O)N2C)C 1 1.352 3 3 0 -11.8473786743803 2148490 CN1C(=CC(=O)N(C1=O)C)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 0.868 3 5 0 -16.8123299509134 2148488 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC(=C(C=C2)OC)OC 1 0.833 3 5 0 -16.9961998982447 2148485 CN1C(=CC(=O)N(C1=O)C)NC(=O)/C=C\C2=CC(=C(C(=C2)OC)OC)OC 1 1.284 3 6 0 -15.0146106307603 2148483 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC=CC=C2Br 1 1.614 3 3 0 -11.3520178284441 2148482 CCC(CC)C(=O)NC1=CC(=O)N(C(=O)N1C)C 1 1.243 3 3 0 -12.875740310867 2148481 CN1C(=CC(=O)N(C1=O)C)NC(=O)CC2=CC=CC3=CC=CC=C32 1 1.809 3 3 0 -11.8811905102042 2148478 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC=C(C=C2)Cl 1 1.53 3 3 0 -10.2032308580515 2148477 CN1C(=CC(=O)N(C1=O)C)NC(=O)CCC2CCCCC2 1 2.03 3 3 -16.3771618418421 2148476 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC=CC=C2 1 0.866 3 3 0 -12.8208771161477 2148474 CCOC1=CC=C(C=C1)C(=O)NC2=CC(=O)N(C(=O)N2C)C 1 1.198 3 4 0 -13.2044189094905 2148473 CC1=C(C=C(C=C1)C(=O)NC2=CC(=O)N(C(=O)N2C)C)C 1 1.838 3 3 0 -11.9485174470048 2148465 CN1C(=CC(=O)N(C1=O)C)NC(=O)CCC2=CC=CC=C2 1 1.357 3 3 0 -15.0723186047821 2148464 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.195 3 3 -7.92476596951223 2148463 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.195 3 3 -9.6436044037762 2148459 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC(=CC=C2)C(F)(F)F 1 1.808 3 3 0 -8.87339911916757 2148458 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC=CC=C2F 1 1.071 3 3 0 -13.4630749406346 2148457 CN1C(=CC(=O)N(C1=O)C)NC(=O)CC2=CC=C(C=C2)F 1 1.106 3 3 0 -11.7106499968109 2148455 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2CCCC2 1 0.872 3 3 0 -8.18416389610725 2148451 CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=CC(=O)N(C(=O)N3C)C 1 2.107 3 4 0 -11.9540283833066 2148450 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=C(C=CC(=C2)Br)Cl 1 2.279 3 3 -9.64709847464081 2148448 CN1C(=CC(=O)N(C1=O)C)NC(=O)CC2=CC=CS2 1 0.854 3 3 0 -15.2109712843018 2148447 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=C(C(=CC=C2)OC)OC 1 0.833 3 5 0 -14.5424677981986 2148446 CCOC1=CC=CC=C1C(=O)NC2=CC(=O)N(C(=O)N2C)C 1 1.198 3 4 0 -14.1722341168596 2148445 CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC(=O)N(C(=O)N2C)C 1 1.576 3 4 0 -13.6393878377811 2148437 CCCC(=O)NC1=CC(=O)N(C(=O)N1C)C 1 0.325 3 3 0 -17.0156349778185 2148436 CN1C(=CC(=O)N(C1=O)C)NC(=O)CC2=CC=C(C=C2)OC 1 0.884 3 4 0 -12.8354932314203 2148433 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC=C(C=C2)OC 1 0.849 3 4 0 -12.4381957577825 2148177 C1C(=O)N(C(=O)CS1)CC(=O)NCC2=CC=C(C=C2)F 1 0.379 2 3 0 -13.1978187991922 2148172 C1C(=O)N(C(=O)CS1)CC(=O)NC2=CC3=C(C=C2)OCO3 1 -6.5e-002 2 5 0 -12.3870824558125 2148162 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CSCC2=O 1 0.371 2 5 0 -13.8529197991077 2148156 CCCCN(C)C(=O)C1=CC2=CC(=CC(=C2OC1=O)OC)[N+](=O)[O-] 1 2.48 2 6 0 -14.51574785669 2148154 COCCCNC(=O)C1=CC2=CC(=CC(=C2OC1=O)OC)[N+](=O)[O-] 1 0.877 2 7 0 -20.5751536061712 2148149 C1COCCN1CCCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 -2.654 2 5 0 -10.5915045779853 2148140 C1=COC(=C1)CNC(=O)CSC2=NC(=CC(=N2)N)N 1 0.524 5 2 0 -16.0415027895008 2148138 CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC(=O)C4=CC=CC=C4N3 1 4.093 5 3 0 -23.5259665214881 2148131 CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCCC(=O)O)C(=O)O 1 1.822 4 8 0 -33.9068508010804 2148129 CCOC(=O)CSC1=NC(=C(S1)C(=O)OCC)C 1 2.203 1 4 -16.7386297351982 2148127 CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCCC(=O)O)C 1 2.047 4 6 0 -29.966349623221 2148052 COCCNC1=C(N=C(O1)C2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 2.491 2 5 0 -12.261185241482 2148046 CC1=CC=C(C=C1)S(=O)(=O)C(=C(Cl)Cl)NC(=O)C2=CC=C(C=C2)OC 1 4.116 1 4 -8.09963611276564 2148031 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(S2)C 1 2.742 1 2 -2.08252612999926 2148027 C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3C(=O)OCC(=O)N 1 1.631 1 4 0 -7.23624819740221 2147973 CC1CCN(CC1)CC(=O)N2CCC3=CC=CC=C32 1 2.406 2 1 -12.3029097453002 2147955 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=CC=CC4=C3N=CC=C4 1 2.287 4 2 -19.6582056701195 2147954 CC1=CC(=NC(=N1)SCC(=O)OC)N2CCOCC2 1 0.872 3 3 0 -13.6302586713085 2147953 CC1=CC(=NC(=N1)SCC(=O)OCC2=CC=CC=C2)N3CCOCC3 1 2.456 3 3 -13.3924676662732 2147927 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=NC=NN2)C 1 2.078 4 2 -3.38635861258852 2147925 COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC=NN2)Cl 1 1.267 4 3 0 -8.81112195402913 2147839 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCO4)Cl 1 1.851 2 6 0 -22.3831226740896 2147838 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl 1 1.858 2 6 0 -24.0074650912736 2147837 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 2.548 3 4 0 -14.9950585765158 2147830 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 2.342 3 4 0 -15.8295731181721 2147825 COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)O)OC 1 3.681 3 4 0 -12.7339400767217 2147799 COCCNC(=O)C1=CC(=CC=C1)NC2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4 1 4.51 4 2 0.567969876246154 2147692 CC1=CC(=CC=C1)OCCCN2C3=CC=CC=C3OC2=O 1 3.726 1 3 3.08432042229404 2147691 CC1=CC(=C(C=C1)C(C)C)OCCN2C3=CC=CC=C3OC2=O 1 4.858 1 3 2.16491119337056 2147677 C1=CC(=CC(=C1)F)C2=CC(=CC3=C2OC(=O)S3)O 1 4.027 0 3 9.9380640154072 2147631 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)Cl 1 3.22 3 3 2.73884975177661 2147602 CC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)OC 1 4.124 1 4 -5.03327717748059 2147601 COC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3 1 3.638 1 4 -5.39582663296806 2147600 CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)C3=CC=C(O3)C 1 3.483 2 2 -4.80351422055731 2147593 CC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O)OC 1 2.999 0 7 0 -13.549163300461 2147588 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54 1 4.95 3 3 -16.0698723367042 2147587 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4 1 3.846 2 3 -22.9007692464714 2147586 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-] 1 4.359 4 5 0 -19.0919532033814 2147584 CC1=CC(=NC=C1)NC(=O)C2=CC=C(S2)Cl 1 2.901 2 1 2.01541762480647 2147582 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(S3)Cl 1 1.831 2 4 0 -15.4125968412218 2147581 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.084 3 6 0 -26.969774231799 2147569 CC1=CC(=NC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 2.979 3 3 -17.2526402835872 2147557 CN(C)C(=O)N1CCN(CC1)C(=O)N2CCOCC2 1 -1.113 4 3 0 -11.2363609813185 2147556 CN(C)S(=O)(=O)N1CCN(CC1)C(=O)N2CCOCC2 1 -1.933 4 4 0 -22.1332517581835 2147528 CC(C)(C)C1=CC=C(C=C1)OC(=O)N2CCOCC2 1 2.887 1 3 -2.5639071045551 2147527 C1CN(CCN(C1)C(=O)N2CCOCC2)C(=O)N3CCOCC3 1 -1.363 4 4 0 -5.80663541918996 2147526 CCN(CC)C(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C 1 2.035 3 3 -20.7402260876578 2147485 CCCOC1=C(C=C(C(=C1)C)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C)C 1 3.309 2 3 -9.39666209964723 2147476 COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=N2)F 1 1.895 2 3 0 -3.50246966770103 2147452 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 1 1.753 4 5 0 -19.5672052527215 2147412 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)CCC3=O 1 -0.438 5 5 0 -19.6412618002556 2147410 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3 1 2.618 4 3 0 -16.1326406141985 2147396 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC(=N4)C 1 3.101 5 5 0 -14.1828860493531 2147391 C1=CC=C2C(=C1)C(=O)C(=O)N2COC(=O)C3=CC=C(C=C3)Cl 1 3.027 1 4 1.89454246624328 2147390 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC3 1 1.22 4 3 0 -11.7303851280003 2147354 CN\1C2=C(C=C(C=C2)OC)S/C1=C\C(=O)C3=CC=NC=C3 1 3.199 2 2 3.90453995244827 2147336 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CS3 1 2.548 4 3 0 -14.8322131319448 2147330 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 1.915 4 5 0 -14.4730217850643 2147328 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCOC3=CC=CC=C3 1 2.21 4 4 0 -14.9837487128796 2147320 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 1.287 5 5 0 -20.8128566302195 2147304 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 1.705 5 5 0 -24.1724848818088 2147302 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.932 5 6 0 -26.4851361174266 2147287 COC1=CC=C(C=C1)N2CCN(CC2)CC3=NN=C(O3)C4=CC=CC=C4 1 3.009 4 2 3.08641446990441 2147285 C1CN(CCN1CC2=NN=C(O2)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 3.23 4 1 4.2112577045138 2147275 C=CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CC3=CSC(=N3)N 1 2.657 6 1 0 -20.9722624401306 2147269 CN1C(=NN=C1SC/C=C/C2=CC=CC=C2)CC3=CSC(=N3)N 1 3.173 5 0 -3.53445906833922 2147265 CN1C(=NN=C1SCC(=O)NC2CCCCC2)CC3=CSC(=N3)N 1 2.04 6 1 0 -16.6157849958773 2147263 CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2C)CC3=CSC(=N3)N 1 1.423 7 3 0 -19.3819228503758 2147257 CC1=CC(=C(C=C1)S(=O)(=O)NC(=O)C2=CC=C(C=C2)F)C 1 3.367 1 3 -4.3242995701803 2147256 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2F 1 2.881 1 3 -7.73980092107531 2147255 C1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2F 1 2.394 1 3 -8.80422355732387 2147250 CC1=CC(=C(C=C1)S(=O)(=O)NC(=O)COC2=CC=CC=C2C)C 1 3.483 1 4 -6.16154561005769 2147247 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 4.369 1 4 -4.39247020152872 2147246 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)COC2=C(C=CC(=C2)C)C(C)C 1 4.191 1 4 -6.86088358432543 2147244 C1COCCN1C(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3Cl 1 3.008 2 3 -9.85465266553376 2147237 CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=C(C=C2)F)N3CCCC3 1 3.162 2 2 -5.41622177790472 2147236 CN1CCN(CC1)C(=NS(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3 1 2.818 3 2 -3.80930148471339 2147234 C1COCCN1C(=NS(=O)(=O)C2=CC=CS2)C3=CC=CC=C3 1 2.13 2 3 -9.48112268069549 2147213 CC1=CC=CC=C1S(=O)(=O)N=C(C2=CC=CC=C2)N3CCOCC3 1 2.183 2 3 -9.24865014272375 2147159 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)NN(C)C)Cl 1 2.464 3 2 -7.61934553570447 2147143 CC1=CC=C(C=C1)C2=NNC(=N2)CC3=CC=CC=C3 1 3.656 3 0 3.22989974947692 2147116 C=CCN1C(=NN=C1SCCC(=O)O)C2=CC=CS2 1 2.708 3 2 -16.3264791711081 2147112 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC3=CC(=CC=C3)S(=O)(=O)C(F)F 1 5.689 3 2 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CN1C=CC=C1CC(=O)NN=CC2=CC=CS2 1 2.262 3 1 -9.07159567831974 2143797 C1CN(CCN1CC2=CC=CC3=CC=CC=C32)N=CC4=CC=C(C=C4)C(F)(F)F 1 4.955 3 0 9.67503571131249 2143689 CC1=CC=C(C=C1)CN2CCN(CC2)N=C/C=C/C3=CC=CC=C3 1 3.951 3 0 9.37821485554601 2143385 C1CCC2=C(C1)C(=C(S2)NC(=O)CC#N)C(=O)N 1 1.181 3 2 0 -16.4832270188368 2143340 C1CN(CCN1C2=CC=CC=C2)N=C/C=C/C3=CC=CO3 1 2.948 3 1 7.13747212969542 2143238 C1=COC(=C1)/C=C/C=NNC(=O)C2=CC=NC=C2 1 1.288 3 2 0 -2.41935409905339 2143229 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=CC=NC=C2 1 2.339 3 1 -7.0439884981418 2143150 CC1=C(C=CO1)C(=O)NN=C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.187 3 4 0 -0.63665069782361 2143149 CC1=C(C=CO1)C(=O)NN=C/C=C\C2=CC=CC=C2[N+](=O)[O-] 1 2.187 3 4 0 -0.63665069782361 2143092 C1=CC(=CC=C1CN2C(=O)C=C(NC2=O)Cl)F 1 1.999 2 2 0 -0.634758739047852 2143089 CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O 1 4.249 1 3 -4.6907297025978 2143076 CCN=C1N(C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)C(=O)C)/S1)CC 1 2.011 3 3 -7.36525452570202 2143073 CCN=C1N(C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)C)/S1)CC 1 2.227 3 2 -4.07388205975129 2143065 CCN=C1N(C(=O)/C(=C/C2=CC(=C(C=C2)O)OCC)/S1)CC 1 3.196 2 3 -4.26267551519831 2143051 CCN=C1N(C(=O)/C(=C/C2=CC(=C(C=C2)OCC)OC)/S1)CC 1 3.422 2 3 -10.8276359536949 2142982 C1=COC(=C1)/C=C/C=C\2/C(=O)N=C(S2)NC3=CC=C(C=C3)O 1 3.4 2 3 2.31200161234808 2142937 CCN1C(=NN=C1SCC=C)C2=NN=C(N2CC)SCC=C 1 3.399 6 0 -8.73570991583479 2142936 C=CCSC1=NN=C(N1C2=CC=CC=C2)C3=NN=C(N3C4=CC=CC=C4)SCC=C 1 5.855 6 0 -7.94213546860217 2142932 CCN1C(=NN=C1SC/C=C/C2=CC=CC=C2)C3=CC=CS3 1 4.761 3 0 -4.8167044234762 2142927 CC(=O)NC(=S)NC1=CC=CC=C1OC 1 2.085 2 2 -9.54881429440753 2142907 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC)C 1 3.697 4 6 0 -17.7421912636492 2142782 C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 4.689 4 3 0 4.85488916747233 2142759 CC(C)OP(=O)(C1=NC2=C(C=C(C=C2)OC)C(=C1Cl)NC3=CC=C(C=C3)OC)OC(C)C 1 5.431 2 5 0 3.31903095790875 2142757 CC(C)OP(=O)(C1=NC2=CC=CC=C2C(=C1Cl)NC3=CC=CC=C3)OC(C)C 1 5.464 2 3 4.58752857124996 2142755 CCOP(=O)(C1=NC2=C(C=C(C=C2)OC)C(=C1Cl)NC3=CC=C(C=C3)OC)OCC 1 4.676 2 5 0 4.4614659260253 2142753 CCOP(=O)(C1=NC2=CC=CC=C2C(=C1Cl)NC3=CC=CC=C3)OCC 1 4.709 2 3 5.7299635393665 2142676 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C5=CC=CC=C5O 1 5.205 4 1 6.50656046454249 2142609 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=C(C=C4)F)F 1 2.666 2 4 -11.5989478091261 2142605 CN(C)C(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CC=C 1 2.832 3 2 -32.8542625837212 2142586 CC1=CC=C(O1)/C=C/2\C(=O)N(C(=S)S2)C3CCCCC3 1 4.446 1 2 -7.48585821624825 2142582 CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)NC(=S)N4C(=O)C)/C2=O 1 1.869 4 4 0 -7.79285907045686 2142426 COCCNC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)O 1 2.055 1 4 -11.1833332416117 2142357 CN(C)C1=CC=C(C=C1)C(=S)N2CCN(CC2)C(=S)NC3=CC=CC=C3 1 5.515 4 0 -12.5442115440261 2142354 CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2 1 2.525 4 6 0 -27.365114181683 2142352 CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC(C)(C)C)C(=O)O 1 2.703 4 6 0 -30.5458825056851 2142327 C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=CS3 1 1.58 2 2 0 -15.0585019790913 2142321 C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3F 1 1.832 2 2 0 -11.1295920825299 2142309 CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4 1 1.99 2 4 0 -8.40213435714732 2142305 CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)OC 1 3.124 1 5 -6.19481693935737 2142268 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CS2 1 2.836 3 3 -14.3872050607746 2142259 CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SC)S(=O)(=O)N3CCOCC3 1 1.463 4 4 0 -27.1962272645206 2142256 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 2.164 3 4 0 -16.2638787328182 2142239 CN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CC=CS4 1 4.222 4 0 -5.3122357272398 2142234 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.363 3 3 -15.4563202966422 2142169 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 2.405 2 6 0 -9.12395706282451 2142222 CC1=CC=CC=C1NC2=CC3=CC=CC=C3C(=O)N2 1 3.279 2 1 -2.29286975158313 2142207 CC1(CC(CC(N1)(C)C)NS(=O)(=O)C2=C(C=CC(=C2)F)OC)C 1 1.67 2 3 0 -13.2374523537299 2142172 CC1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=C(C=C2)C)CSC(=O)N 1 3.39 3 3 -8.09066444677963 2142158 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)CC4=NC(=CS4)C5=CC=C(C=C5)Br 1 5.779 2 2 3.11518257656248 2142156 CC1=CC(=C(C=C1C2=CSC(=N2)CC3=NC(=CS3)C4=CC5=CC=CC=C5OC4=O)C)C 1 6.49 2 2 2.71186519787194 2142152 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)CC4=NC(=CS4)C5=CC=C(C=C5)Cl 1 5.695 2 2 4.57184232166392 2142149 CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3C(=O)C2=O 1 2.445 2 3 -3.91499110706358 2142113 CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3SC2=O 1 4.285 1 2 2.85516131789972 2142012 C1=CC=C(C=C1)NC=C(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.999 1 4 -5.1982121891664 2142011 CC1=CC=C(C=C1)NC=C(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 4.486 1 4 -4.7485265887448 2141992 COCCNC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2=O 1 1.999 1 3 0 -11.6592611962725 2141990 CC(C)(CO)NC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2=O 1 2.173 1 3 -8.69888110340918 2141786 CC1=C(SC(=S)N1CCOC)C(=O)O 1 1.668 1 3 0 -7.99316304913193 2141783 CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCO)C 1 0.687 4 4 0 -16.8149121159902 2141782 CC1=CC=CC2=C1N(C(=O)C2=O)CCCOC3=CC=CC=C3 1 3.057 1 3 3.80972399174873 2141781 CC1=CC=CC=C1OCCCN2C3=C(C=CC=C3C)C(=O)C2=O 1 3.543 1 3 4.23918202849664 2141780 CCCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C)OC2=O 1 4.471 1 3 1.58047077482508 2141777 CCOC(=O)CN1C2=C(C=CC=C2C)C(=O)C1=O 1 1.418 1 4 0 -2.2467756432371 2141776 CC1=CC=CC2=C1N(C(=O)C2=O)CCCOC3=CC=CC=C3OC 1 3.04 1 4 0.675913734282627 2141775 CC1=CC(=CC=C1)OCCN2C3=C(C=CC=C3C)C(=O)C2=O 1 3.481 1 3 3.87351921732455 2141772 CC1=CC=C(C=C1)OCCCN2C3=C(C=C(C=C3)C)C(=O)C2=O 1 3.543 1 3 7.11723128126898 2141759 CCONC(=O)NC1=CC=CC=C1 1 1.141 2 2 0 -0.226027145845796 2141754 CC(=O)OCCCCON1C(=O)C2=CC=CC=C2C1=O 1 1.19 1 5 0 -5.06257598866284 2141752 C1=CC=C2C(=C1)C(=O)N(C2=O)OCCOCCOCCBr 1 1.256 1 5 0 -1.82442956436975 2141684 C=CCNC(=S)NS(=O)(=O)C1=CC=CS1 1 2.018 2 2 -13.6956627250858 2141680 C1CCC(CC1)NC(=S)NS(=O)(=O)C2=CC=C(C=C2)Br 1 4.221 2 2 -8.89653560612155 2141622 C=CCN1C(=O)/C(=C/C2=CC=CS2)/SC1=NS(=O)(=O)C3=CC=C(C=C3)F 1 4.335 2 3 -12.4276546391059 2141616 CCN1C(=O)/C(=C/C2=CC=CS2)/SC1=NS(=O)(=O)C3=CC=C(C=C3)C 1 4.348 2 3 -8.47879491988298 2141553 C1=CC=C2C(=C1)C=NN=C2SCC(=O)NC3=CC(=CC=C3)O 1 2.595 3 2 -4.91167157540226 2141536 CCCNC(=O)CSC1=NN=C(S1)C 1 1.038 3 1 0 -22.2569746802413 2141528 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC=CC(=O)N3 1 1.827 3 2 0 -16.0827966372156 2141470 C1=CC(=CC=C1CCN2C(=O)/C(=C\C3=CC=C(C=C3)Cl)/SC2=S)S(=O)(=O)N 1 4.321 2 3 -8.63840999957501 2141460 CN1C(=NN=N1)SCC2=CC=C(C=C2)Cl 1 2.471 4 0 -11.9266891325396 2141449 C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NCCCO 1 1.051 3 2 0 -9.80998875089339 2141448 C1=CC=C(C=C1)C2=C(OC(=N2)SCC(=O)NCCCO)C3=CC=CC=C3 1 3.15 2 3 -4.56055308495557 2141445 CC1=CC(=NC(=N1)SCC(=O)C2=CC=C(C=C2)Cl)N3CCOCC3 1 3.086 3 2 -5.66154209272074 2141383 C1=CC=C2C(=C1)C(=C(O2)C(=O)N)NC(=O)C3=NC4=CC=CC=C4S3 1 2.702 3 3 4.28915377525035 2141381 C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CS2 1 2.627 3 2 -10.3777019389553 2141294 COC1=CC=CC(=C1)NC(=O)CSC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3 1 3.245 3 4 0 -10.3100515642016 2141281 COC1=CC2=C(C=C1)OC(=NC3=CC=C(C=C3)C(=O)O)C(=C2)C(=O)NCC4=CC=CO4 1 3.283 2 6 0 -7.76997357737702 2141277 CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC4=C(C=C3C2=O)OCO4)CC5=CC=C(C=C5)F 1 4.416 1 5 -2.11987669217253 2141151 C1CN(CC2=C1NC(=NC2=O)SCC(=O)NC3=CC=C(C=C3)F)CC4=CC=C(C=C4)F 1 3.165 4 2 -16.085074189237 2141147 CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C3=C(N2)CCN(C3)CC4=CC=C(C=C4)F)C 1 3.931 4 2 -15.5066700616595 2141075 C1=CC=C2C(=C1)C(=NC3=C(N=NN23)C4=CC(=CC=C4)C(F)(F)F)NN 1 2.69 6 0 6.01476827351115 2141009 COC1=CC(=CC(=C1)NC(=O)CN2C(=O)C(=NC23CCCCCC3)C4=CC=CC=C4)OC 1 3.758 3 4 0 -6.82346890900434 2141008 CC1(N=C(C(=O)N1CC(=O)NC2=CC(=CC(=C2)OC)OC)C3=CC=CC=C3)C 1 1.911 3 4 0 -5.71437606326065 2141003 COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C(=NC23CCCCCC3)C4=CC=CC=C4)OC 1 3.758 3 4 0 -8.86706825244921 2141002 COC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=NC23CCCCCC3)C4=CC=CC=C4 1 3.775 3 3 -3.94991571256042 2140952 C1=CC=C2C(=C1)C(=NC3=C(N=NN23)C4=CC(=CC=C4)F)NCCC5=CC=C(C=C5)S(=O)(=O)N 1 3.261 6 2 0 -1.98396206442571 2140938 C1=CC=C(C(=C1)C=NNC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl)OCC(=O)O 1 4.347 4 4 0 -17.4689923890596 2140739 CN1C(=O)/C(=C\C2=CC=C(O2)C3=CC=CC=C3)/SC1=S 1 4.252 1 2 -1.10322031487654 2140730 C1=CSC(=N1)NC=NC2=NC=CS2 1 0.703 4 0 0 1.05967353239774 2140727 CC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=CC=C3 1 4.252 4 2 -1.81292747302767 2140705 CC1=CC=C(C=C1)S(=O)(=O)NC(=S)NC2CCCCC2 1 3.959 2 2 -9.26187455160693 2140685 CC1=CSC(=NC2=CC=C(C=C2)C(=O)C)N1CC=C 1 2.709 2 1 -11.7144334247335 2140576 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C=CC=N3)O)Cl 1 3.412 2 3 3.33733842961364 2140530 C1=CC=C(C=C1)OCC(=O)NC2=NON=C2NC(=O)COC3=CC=CC=C3 1 1.952 4 5 0 -7.31206274128864 2140519 CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC(=O)OC)C 1 1.593 3 4 0 -20.513231925354 2140496 COC(=S)NC(=NS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC=CC=C2 1 4.44 2 3 -8.26063660254989 2140494 CCOC(=S)NC(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2 1 4.125 2 3 -11.7582943961419 2140485 C1COCCN1NS(=O)(=O)C2=CC=C(S2)Cl 1 0.388 2 3 0 -2.42153818845648 2140450 C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=CC=C2)NC3=CC=CC=N3 1 3.415 3 2 -8.9959465687743 2140317 C1=CC(=CC(=C1)Br)C(=O)NNC(=O)/C=C/C(=O)O 1 1.199 2 4 0 -5.39936742246111 2140300 CCOC(=O)/C=C/C(=O)NC1=CC(=CC=C1)[N+](=O)[O-] 1 1.662 2 5 0 -7.74300572759237 2140203 COC1=CC=C(C=C1)N2C(=NN=N2)C3=NC4=CC=CC=C4S3 1 3.116 5 1 -1.05926322046026 2140191 CCOC1=CC=C(C=C1)N2C(=NN=N2)C3=NC4=CC=CC=C4S3 1 3.464 5 1 -1.82548637216829 2140190 CC1=CC=C(C=C1)N2C(=NN=N2)C3=NC4=CC=CC=C4S3 1 3.618 5 0 -0.646297011316124 2140186 CCCNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C 1 2.199 4 1 -20.6468144057619 2140182 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)SCC=C 1 2.955 3 1 -16.4952679850972 2140163 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4 1 3.492 4 3 0 2.06475564831834 2140154 COC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3C4=CC=CC=C4N=N3)C5=CC=CC=C5 1 5.246 5 2 0 8.44405665348019 2140151 CN(C)C(=O)C1=CN(N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4 1 3.447 3 3 3.46714767307398 2140148 C1COCCN1C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 1 3.058 3 2 -1.0469835048605 2140141 COC1=CC=C(C=C1)C2=NN3C(=CSC3=N2)C4=CC=CC=C4 1 3.907 3 1 3.62663359895243 2140111 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)OC 1 3.069 2 5 0 -11.7883251019692 2140069 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N(C)C3CCN(CC3)C 1 2.174 3 4 0 -7.18864111654115 2140055 CC(=O)N(C)C1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)N(C)C(=O)C)O 1 1.587 2 5 0 -6.13379478787317 2140033 C1=CC(=CC=C1C2=CN=NN2C3=CC=C(C=C3)[N+](=O)[O-])Cl 1 3.957 4 2 0.283330363503248 2140029 C1=CC=C2C(=C1)C3=CC=CC4=C3C2=NN(C4=O)CC(=O)O 1 1.874 2 3 0 -11.4565803157864 2139962 CC1=CC(=O)N=C(N1)SC/C=C/C2=CC=CC=C2 1 3.019 2 1 -10.0884492367444 2139924 CC1=C(C=C(C(=N1)C)NC(=O)NC2=CC(=CC=C2)OC)NC(=O)NC3=CC(=CC=C3)OC 1 2.597 5 4 0 -4.8312696544357 2139922 CC1=C(C=C(C(=N1)C)NC(=O)NC2=CC=CC=C2OC)NC(=O)NC3=CC=CC=C3OC 1 2.597 5 4 0 -7.92306041516877 2139920 CC1=C(C=C(C(=N1)C)NC(=O)NC2=CC=C(C=C2)OC)NC(=O)NC3=CC=C(C=C3)OC 1 2.597 5 4 0 -5.04813714490173 2139911 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)NC2=CC=C(C=C2)Br 1 2.89 3 3 -7.97284026507038 2139897 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C4C(=C2)C=CC=C4C(=O)NC3=O)C 1 3.025 2 4 -7.5476100149185 2139894 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C4C(=C2)C=CC=C4C(=O)NC3=O 1 2.538 2 4 -7.13964364608888 2139815 COCCNS(=O)(=O)C1=CC2=C(C=C1)C3=C(C=C(C=C3)S(=O)(=O)NCCOC)OC2=O 1 0.51 2 8 0 -14.7681272758694 2139803 CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br 1 3.909 1 5 -11.5899920209086 2139746 CCOC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32 1 2.138 2 5 0 -28.345165772633 2139744 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)N2C(=CC(=N2)C)C 1 2.024 3 3 -13.8044509027218 2139743 CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32 1 2.536 2 5 0 -20.6912328520775 2139730 CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 1 2.258 2 5 0 -20.0259023120256 2139727 CCOC(=O)/C=C/C(=O)N1CCC2=CC=CC=C21 1 2.048 1 3 -7.19184405616354 2139721 CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 1.253 3 5 0 -11.744694220517 2139679 CC1=CC=C(O1)/C=C/C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(O3)C 1 2.142 2 4 -3.6416430143475 2139657 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 3.211 2 4 -5.13850635485093 2139645 CC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=NNC(=C2)C 1 1.211 4 3 0 -10.3123196703126 2139644 CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=O)C2=CC=CS2 1 2.133 3 3 -15.0506004539327 2139632 CC1=CC=C(C=C1)OCC(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 2.017 2 4 -5.95359673820268 2139631 CCOC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C 1 1.656 2 5 0 -30.4013234859461 2139625 C1=CC=C(C=C1)C2=NC(=NS2)NC(=O)CSC3=NN=C4N3C=CC=C4 1 3.099 6 1 0 -10.9166368183108 2139614 CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(S3)C 1 3.572 3 3 -28.8442468687015 2139613 CC1=NN=C(S1)SCC(=O)NCC2=CC3=C(C=C2)OCO3 1 1.517 3 3 0 -22.0819908104322 2139608 C1C(=O)N(C(=S)S1)NC(=O)COC2=CC=CC=C2 1 1.819 2 3 0 -9.95153268712255 2139597 C1=CC=C(C=C1)CNC2=C3C=CSC3=NC=N2 1 3.043 3 0 -2.93195386050597 2139595 CC1=NC(=C2C=CSC2=N1)N3CCCC3 1 2.23 3 0 -3.33471565128693 2139589 CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CN=CC=C3 1 2.862 4 1 -8.31297623591592 2139586 C1CN(CCC1C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 2.316 1 5 -18.9440630265751 2139584 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl 1 4.896 2 1 3.70208938881327 2139490 C1=COC(=C1)C(=O)/C(=C/NC2=CC=C(C=C2)F)/C(=O)C(F)(F)F 1 3.422 1 3 -0.969188992674535 2139413 COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC 1 5.124 3 4 0 0.74203644264251 2139385 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=CN=CC=C2 1 2.339 3 1 -8.30982569821184 2139378 C1=CC=C(C=C1)/C=C/C=NN2C=NN=C2 1 1.405 4 0 0 6.34669366432103 2139177 COCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4Cl)/SC1=S 1 3.337 3 4 0 -12.7041258110622 2139165 CC1=CC=CC=C1CN2C(=NC3=CC=CC=C32)C 1 3.881 2 0 -2.73991788861236 2139157 C1=CC=C(C=C1)OCCCCN2C=NC3=CC=CC=C32 1 3.826 2 1 -3.07656301448633 2138994 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=O)/C(=C/C4=CC(=C(C=C4)O)OC)/S3 1 2.613 4 4 0 -12.1723471490976 2139032 CCCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)O 1 5.322 2 3 -10.9412021350703 2138989 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=O)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/S3 1 2.766 5 4 0 -16.2347933574604 2138986 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=O)/C(=C/C4=CC=C(C=C4)O)/S3 1 2.63 4 3 0 -11.5768318158386 2138985 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.675 2 5 0 -25.6859559450984 2138975 C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)/C=C/C3=CC=CC=C3 1 3.182 2 2 3.84168244296701 2138969 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.171 2 7 0 -24.2003013111173 2138957 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F 1 2.726 3 4 0 -8.86144074478642 2138955 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4 1 3.007 3 4 0 -9.57331777025168 2138929 CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=CS3 1 3.966 3 1 -9.83529601671819 2138927 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4 1 2.977 3 4 0 -11.3515945179045 2138904 CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.733 3 3 -20.4708015102051 2138881 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CS4 1 1.998 3 4 0 -18.0917468467255 2138866 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CO3 1 2.45 3 4 0 -12.8396507466514 2138838 CNS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 1.311 4 5 0 -17.3297426477416 2138834 CNS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC=CO3 1 2.014 3 4 0 -9.133841090413 2138818 C1=CC2=C(C=C1S(=O)(=O)N)SC(=N2)NC(=O)C3=CC=C(O3)Br 1 1.908 3 4 0 -8.2767543926758 2138713 CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=C(C=C2)F)N3CCCCC3 1 3.618 2 2 -5.7706902920728 2138715 C1CCC2=C(C1)C(=NC(=N2)C3=CC=CC=C3)SCC(=O)N4CCOCC4 1 3.225 3 2 -9.10774332245067 2138696 CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC(C)(C)CO 1 1.105 2 4 0 -15.6798483861949 2138660 CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC4=C(C=C3C2=O)OCO4)CC5=CC=C(C=C5)F 1 5.124 1 5 -1.83641699552089 2138646 CC1=CC=C(C=C1)CN2C=C(C(=O)C3=CC4=C(C=C32)OCO4)S(=O)(=O)C5=CC=C(C=C5)C(C)C 1 5.405 1 5 -2.54829402098614 2138642 CC1=CC=CC=C1CN2C=C(C(=O)C3=CC4=C(C=C32)OCO4)S(=O)(=O)C5=CC=C(C=C5)C(C)C 1 5.405 1 5 -4.54254995943487 2138637 CC(=O)NCCNC1=NC2=C(N=NN2C3=CC=CC=C31)C4=CC(=CC=C4)C(F)(F)F 1 2.58 6 1 0 -1.85558765544708 2138626 CC1=CC=C(C=C1)C2=C3N=C(C4=CC=CC=C4N3N=N2)NCCC5=CC=C(C=C5)S(=O)(=O)N 1 3.542 6 2 0 -4.93138059446506 2138544 CC1=CC=CC(=C1)C2=C3N=C(C4=CC=CC=C4N3N=N2)NCCNC(=O)C 1 2.124 6 1 0 -3.38950319405417 2138543 CC1=CC=CC(=C1)C2=C3N=C(C4=CC=CC=C4N3N=N2)NCCC5=CC=C(C=C5)S(=O)(=O)N 1 3.542 6 2 0 -2.07615977803271 2138536 CC1=CC=CC(=C1)C2=C3N=C(C4=CC=CC=C4N3N=N2)NCCCOC 1 2.863 5 1 -0.102370125997842 2138513 C1=CC=C(C(=C1)CN2C(=O)C3=NC=CN=C3NC2=S)Cl 1 2.584 4 1 -0.76469027338286 2138512 C1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3NC2=S 1 1.919 4 1 0 -0.949287618247807 2138509 CC1=CC=C(C=C1)C2=C3N=C(C4=CC=CC=C4N3N=N2)Cl 1 3.93 4 0 1.83239277846125 2138508 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 6.114 4 3 0 -3.71805993396444 2138507 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCN(CC3)C4=CC=CC=C4 1 5.45 4 3 0 -8.24212037442018 2138506 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCN(CC3)C(=O)OCC 1 4.029 4 5 0 -11.6989824921548 2138501 CN1C2=C(C=N1)C(=O)N(C=N2)CC3=C(C=CC(=C3)C=O)OC 1 1.057 4 3 0 -9.61446891825696 2138476 CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)OC 1 5.226 3 4 0 -2.87629021539347 2138334 CCC1=CC=C(C=C1)S(=O)(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)NCCNC(=O)C 1 2.275 6 3 0 -17.5883469797712 2138175 CC1=C(SC(=N1)NC(=O)C2=CC=CO2)C(=O)OCC=C 1 2.053 2 4 -14.2281131371835 2138172 CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)OC)C(=O)OCC=C 1 2.641 2 4 -15.4758887958794 2138094 CCCN(CCC)C(=O)CN1C2=C(SC(=S)N2C3=CC=CC=C3C1=O)C4=CC=CC=C4C 1 6.185 3 2 -12.0985029641777 2138082 CC1=C(C=C(C=C1)S(=O)(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)NC5=CC=C(C=C5)NC(=O)C)C 1 3.81 6 3 0 -14.3543744185025 2137938 COCCCN1CCC2=C(C1)C(=O)NC(=S)N2 1 9.3e-002 3 2 0 -9.81742915035555 2137936 CCCCN1CCC2=C(C1)C(=O)NC(=S)N2 1 1.49 3 1 0 -8.6912279186437 2137925 CCOC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)NC4=C(SC(=S)N34)C(=O)NC(C)C 1 4.343 4 4 0 -22.3694039087925 2137893 CC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=C(C=CC=C4Cl)F)C5=CC=CC=C5 1 4.278 3 3 -15.3451188687447 2137892 CC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4Cl)C5=CC=CC=C5 1 4.073 3 3 -12.5384794587701 2137859 CC1=C(C=C(C=C1)NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC=CC=C3)C 1 2.87 3 4 0 -20.0571139706156 2137854 COC1=CC=C(C=C1)C2=C3N=C(C4=CC=CC=C4N3N=N2)NCC5=CC=CC=C5 1 4.013 5 1 -1.54611993333264 2137842 CCOC1=CC2=C(C=C1)NC=C(C2=O)S(=O)(=O)C3=CC=C(C=C3)C 1 2.838 1 4 -9.75014352524573 2137838 CC1=CC(=C(C=C1)C)S(=O)(=O)C2=CNC(=S)NC2=O 1 1.861 2 3 0 -9.19877072369379 2137833 C1=CC=C2C(=C1)N(C=NS2(=O)=O)CC3=CC(=CC=C3)F 1 2.448 2 2 2.16813856616263 2137824 CC1=CC(=C(C=C1OC)S(=O)(=O)NCCOC)C 1 1.566 1 4 0 -6.91367511605911 2137806 CC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C)C 1 4.24 2 2 -9.11609852332191 2137779 CCCCC1C2=C(CCCC2=O)OC3=C1C(=O)CCC3 1 3.136 0 3 -12.2104592587697 2137775 CCCCC1C2=C(CC(CC2=O)(C)C)OC3=C1C(=O)CC(C3)(C)C 1 4.052 0 3 -13.3698231747257 2137683 C1=CC=C(C=C1)CCC(=O)NC2=C(C=CS2)C#N 1 2.771 2 1 -12.4422903920564 2137641 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)F 1 5.655 4 3 0 -7.2689401538127 2137639 CC1=CC=C(C=C1)CN2C3=CC=CC=C3S(=O)(=O)N(C2=O)C4=CC=C(C=C4)OC 1 4.309 2 4 -1.33162975854057 2137633 COC1=CC=C(C=C1)N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC=CC=C4F 1 4.028 2 4 -3.18403285043599 2137630 COC1=CC=C(C=C1)N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC(=CC=C4)F 1 4.028 2 4 1.37550856696749e-002 2137472 COCCCNC1=NC2=C(N=NN2C3=CC=CC=C31)C4=CC(=CC=C4)C(F)(F)F 1 3.319 5 1 1.43154541260925 2137463 C1=CC=C2C(=C1)C(=NC3=C(N=NN23)C4=CC(=CC=C4)F)Cl 1 3.649 4 0 4.7798113085006 2137373 CC1=C(C(=CC=C1)NC2=NC3=C(N=NN3C4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5)C 1 4.689 5 2 0 -9.03545789384206 2137371 CC1=CC(=C(C=C1)C)NC2=NC3=C(N=NN3C4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5 1 4.689 5 2 0 -11.629554818636 2137370 CC1=CC(=CC(=C1)NC2=NC3=C(N=NN3C4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5)C 1 4.689 5 2 0 -11.1124130368066 2137364 C1C2=CC=CC=C2OC3=C1C(=NC(=N3)C4=CC=C(C=C4)F)SCC(=O)NC5=CC=CC(=C5)C(=O)O 1 5.467 3 4 0 -5.5237007559178 2137362 C1C2=CC=CC=C2OC3=C1C(=NC(=N3)C4=CC=C(C=C4)F)SCC(=O)NC5=CC=C(C=C5)C(=O)O 1 5.467 3 4 0 -5.4859118247316 2137307 CC1=CC(=CC=C1)NC2=NC3=C(N=NN3C4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5 1 4.203 5 2 0 -8.86323294967708 2137299 CC1=CC(=CC(=C1)NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC=CC=C3)C 1 2.87 3 4 0 -20.1979631548055 2137248 CC1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=CC(=C3)F)S(=O)(=O)C4=CC=C(C=C4)Cl 1 5.313 1 3 -0.540971617062839 2137269 C1=CC(=CC(=C1)F)CN2C=C(C(=O)C3=C2C=CC(=C3)F)S(=O)(=O)C4=CC=C(C=C4)Cl 1 5.032 1 3 -0.560872582279188 2137265 C1=CC=C(C(=C1)CN2C=C(C(=O)C3=C2C=CC(=C3)F)S(=O)(=O)C4=CC=C(C=C4)Cl)F 1 5.032 1 3 -3.12161297447764 2137161 CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)N(C2=O)CC5=CC=CC=C5C#N 1 4.475 4 4 0 -15.6516982968967 2137129 C1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=CC(=C3)F)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.827 1 3 -1.35578652184244 2137045 COC1=CC2=C3N=C(NN3C(=O)N=C2C=C1OC)C4=CC=CC=C4 1 1.604 4 3 0 -0.939506222433153 2137034 CC1=CC2=C(C=C1)OC3=C(C2)C(=S)N=C(N3)C4=CC(=C(C=C4)OC)O 1 4.39 2 3 0.101432776928587 2137007 CC1=CC(=C(C=C1)C)S(=O)(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)NCCOC 1 2.982 5 3 0 -11.9125973127107 2136935 COC1=CC=C(C=C1)CN2C=C3C(=NN=C3C4=CC(=C(C=C42)OC)OC)C5=CC=C(C=C5)F 1 5.735 3 3 -1.67945802254535 2136921 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)NC3=NC=CS3)Cl 1 3.324 3 2 -8.43904743973241 2136917 CC1=CC(=CC=C1)CN2C=C3C(=NN=C3C4=CC(=C(C=C42)OC)OC)C5=CC=C(C=C5)F 1 6.237 3 2 -0.768457766738894 2136908 COC1=C(C=C2C(=C1)C3=NN=C(C3=CN2CC4=CC=C(C=C4)F)C5=CC=CC=C5)OC 1 5.751 3 2 -1.90978107862584 2136907 CC1=CC=C(C=C1)CN2C=C3C(=NN=C3C4=CC(=C(C=C42)OC)OC)C5=CC=C(C=C5)F 1 6.237 3 2 -1.43526466231064 2136899 COC1=C(C=C2C(=C1)C3=NN=C(C3=CN2CC4=CC(=CC=C4)F)C5=CC=C(C=C5)F)OC 1 5.956 3 2 -1.06852797428054 2136890 COC1=C(C=C2C(=C1)C3=NN=C(C3=CN2CC4=CC=CC=C4F)C5=CC=C(C=C5)F)OC 1 5.956 3 2 -2.01087255913402 2136882 COC1=C(C=C2C(=C1)C3=NN=C(C3=CN2CC4=CC=CC=C4F)C5=CC=CC=C5)OC 1 5.751 3 2 -2.8422009415389 2136878 COC1=C(C=C2C(=C1)C3=NN=C(C3=CN2CC4=CC=CC=C4)C5=CC=C(C=C5)F)OC 1 5.751 3 2 -2.25007956709024 2136804 CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)N5CCCCC5 1 4.458 5 2 0 -10.9189643825264 2136521 C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2O 1 2.431 3 3 -5.74355176316209 2136441 CCN1C(=NN=C1SCC(=O)N)C2=CC3=C(C=C2)OCO3 1 1.379 4 3 0 -10.7089731378758 2136400 C1=CC=C2C(=C1)C(=O)N(C3=NN=C(N23)CCC(=O)O)CC4=CC=C(C=C4)F 1 2.573 4 3 0 -9.86723019250851 2136388 CC1=CC=C(C=C1)S(=O)(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)N5CCCCC5 1 3.75 5 2 0 -11.202424079178 2136370 CCCCNC1=NC2=C(N=NN2C3=CC=CC=C31)S(=O)(=O)C4=CC=CC=C4 1 3.469 5 2 0 -14.1886099958747 2136283 C1COC2=C(O1)C=C3C(=C2)N(C=C(C3=O)C(=O)C4=CC=C(C=C4)F)CC5=CC=C(C=C5)F 1 4.711 1 4 1.79082456615503 2136208 CC1=CC=C(C=C1)C(=O)C2=CN(C3=C(C2=O)C=C(C=C3)OC)CC(=O)NC4=CC=C(C=C4)F 1 4.242 2 4 -3.9537630310525 2136205 CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC(C)(C)C 1 1.993 2 3 0 -18.1897189447052 2136138 CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=CC=C(C=C2)F 1 2.844 2 3 -11.5172881729501 2136116 C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)N(C1=O)CC4=CC=C(C=C4)Cl 1 4.632 3 3 -14.1105238639672 2136115 C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4Cl 1 4.632 3 3 -16.5959805579845 2136107 C1C2=C(C=CC(=C2)S(=O)(=O)NN)C3=C1C=C(C=C3)S(=O)(=O)NN 1 -8.1e-002 4 4 0 -2.39627886691855 2136050 C1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)C(F)(F)F 1 3.45 2 2 -5.96148887823895 2135950 CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=NNS(=O)(=O)C4=CC=CC=C4)C 1 4.397 3 5 0 -9.29436449472306 2135930 CC1=CC=C(C=C1)S(=O)(=O)NN=C2C(=CC3=CC=CC=C3O2)C(=O)NC4=CC(=CC(=C4)C)C 1 4.9 3 4 0 -8.25076348530839 2135897 CC1=CC(=C(C=C1)OC)NC(=O)C2=C(N(N=N2)CCC3=CC=CC=C3)N 1 2.978 5 2 0 -16.2056047336579 2135896 COC1=CC(=C(C=C1)OC)NC(=O)C2=C(N(N=N2)CCC3=CC=CC=C3)N 1 2.475 5 3 0 -16.470678478985 2135895 C1=CC=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)Br)F)N 1 3.469 5 1 -14.2980104094797 2135889 COC1=CC=CC(=C1)CN2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N 1 1.945 5 4 0 -19.7950103193514 2135888 COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)OC)N 1 2.818 5 3 0 -14.6569360531941 2135887 CC1=CC(=C(C=C1)OC)NC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)OC)N 1 2.64 5 3 0 -16.6719833454304 2135886 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O 1 1.733 1 6 0 -7.98581379948505 2135803 CC1=CC=C(C=C1)S(=O)(=O)NN=C2C(=CC3=CC=CC=C3O2)C(=O)NC4=CC=C(C=C4)OC 1 3.911 3 5 0 -7.81034709195129 2135798 CC1=CC=C(C=C1)S(=O)(=O)NN=C2C(=CC3=CC=CC=C3O2)C(=O)NC4=CC=CC(=C4)C 1 4.414 3 4 0 -6.07174815967397 2135781 COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)SC)SCC(=O)NC4=NC=CS4 1 4.692 4 2 -6.3655835812017 2135779 CC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=C(C=C3)OC)SCC(=O)NC4=NC=CS4 1 4.636 4 2 -8.85181775010296 2135742 C1CC2=C3C(=C4C(=C2)C=C(C(=N)O4)C(=O)NC5=CC=C(C=C5)C#N)CCCN3C1 1 3.802 4 2 -14.8825440913274 2135734 CC1=CC(=CC=C1)N2C=C(NC2=O)C3=CC(=C(C=C3)OC)OC 1 2.575 2 3 -5.54073632351586 2135733 CCOC1=CC=C(C=C1)N2C=C(NC2=S)C3=CC(=C(C=C3)OC)OC 1 4.135 2 3 -6.4674088142878 2135732 COC1=CC=C(C=C1)N2C=C(NC2=S)C3=CC(=C(C=C3)OC)OC 1 3.786 2 3 -5.60345576230539 2135727 COC1=C(C=C(C=C1)C2=CN(C(=S)N2)C3=CC(=C(C=C3OC)OC)Cl)OC 1 4.434 2 4 -6.72877756802253 2135723 C1CC2=C3C(=C4C(=C2)C=C(C(=N)O4)C(=O)NC5=CC=CC=C5)CCCN3C1 1 3.923 3 2 -12.4134590800301 2135669 COC1=CC=CC(=C1)CNC(=O)C2=C(N(N=N2)CC(=O)NC3=CC4=C(C=C3)OCO4)N 1 0.998 6 5 0 -24.5870059912491 2135668 CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N)C 1 3.026 6 2 0 -22.3838840587646 2135664 CC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N 1 1.473 6 2 0 -23.9171230131931 2135659 CC1=C(C=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CC=C3)N)C 1 2.219 6 2 0 -22.1316008904356 2135555 CC1=C(SC=C1)/C=C(\C#N)/C(=O)NCCCN2CCOCC2 1 1.673 3 2 0 -15.6694929517131 2135527 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCN3C(=O)C4=C(C=CS4)NC3=O 1 2.628 4 4 0 -10.0654618371377 2135469 CC1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=CC(=C3)OC)C(=O)C4=CC=CC=C4 1 4.984 1 3 1.51470453758136 2135408 COC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)C3=CC=C(C=C3)Cl)CC(=O)NC4=CC=C(C=C4)F 1 4.42 2 4 -2.13176434046569 2135407 COC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)C3=CC=C(C=C3)F)CC(=O)NC4=CC=C(C=C4)F 1 3.962 2 4 -4.78008197327006 2135221 CC1=CC=C(C=C1)CNC(=O)CCCCN2C(=O)C3=C(C=CS3)NC2=O 1 2.879 3 3 -17.9088909637967 2135190 COC1=CC=C(C=C1)CN2C(=O)C3=C(N=CC=C3)N(C2=O)CC4=CC=C(C=C4)[N+](=O)[O-] 1 3.41 4 5 0 -4.54741571801646 2135098 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C\4/C(=O)N(C(=S)S4)CCCC(=O)O 1 5.225 3 3 -6.01461312465217 2135076 CC(C)CCNC(=O)CCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S 1 4.376 4 3 0 -17.7560374845993 2135057 C/C(=C\C1=CC=CC=C1)/C=NN2C(=O)CSC2=S 1 3.602 2 1 -7.41094945040369 2135046 CC1=CC(=C(C=C1C(=O)OCCNC(=O)C2=CN=CC=C2)C)C 1 2.85 2 3 -10.8577296707257 2134888 COC1=C(C=C(C=C1)C=O)CN2C3=C(C(=O)N(C2=O)CCC(=O)NCC4=CC=CO4)SC=C3 1 2.329 3 6 0 -25.6975077284445 2134777 CCC1=CC=CC=C1NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3C)N 1 2.668 6 2 0 -21.7233632056919 2134770 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC(=CC=C2)F 1 1.556 3 2 0 -5.70208642847753 2134769 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=CC=C2F 1 1.556 3 2 0 -7.96446493376319 2134766 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=CC=C2Cl 1 2.015 3 2 -6.77169363143772 2134711 COC1=CC2=C(C=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC=CC=C3 1 2.69 0 5 -8.63491483928544 2134636 CC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=O 1 2.416 3 3 -12.6534144292838 2134608 COC1=CC(=CC(=C1)NC(=O)CCN2C(=O)C3=C(C=CS3)NC2=O)OC 1 1.575 3 5 0 -15.3136646240845 2134468 COC1=CC=CC2=C1OC(=NC3=CC4=C(C=C3)OCCO4)C(=C2)S(=O)(=O)C5=CC=CC=C5 1 4.313 1 6 0 -3.87741526085127 2134454 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3OC2=NC4=CC5=C(C=C4)OCCO5 1 4.815 1 5 -2.4253848494273 2134374 CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O 1 4.649 0 4 -5.95257262587884 2134372 CC1=CC=C(C=C1)S(=O)(=O)/C(=C/Cl)/NC(=O)C2=CC=CC=C2 1 3.447 1 3 -7.89265888877143 2134365 CC1=CC=C(C=C1)NC(=S)NC(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 5.664 3 2 -13.1861332805239 2134349 CC1=CC(=C(C=C1)OC)NC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)F)N 1 2.862 5 2 0 -14.8511263639753 2134347 COC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)F)N)OC 1 2.359 5 3 0 -17.0235679879694 2134323 COC1=CC=C(C=C1)NC(=S)NC(=NCS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 5.167 3 3 -13.3615010706806 2134320 C1N=C(NC(=S)N1C2=CC=CC=C2)C3=CC=CC=C3 1 4.181 3 0 -5.38730003025218 2134308 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)NC3=CC=C(C=C3)OC)Cl 1 4.31 2 3 -5.71219685299981 2134300 CC1=CC(=C(C=C1)N2C=C(NC2=O)C3=CC(=C(C=C3)OC)OC)C 1 3.061 2 3 -4.92030009587874 2134298 CC1=C(C=C(C=C1)N2C=C(NC2=S)C3=CC(=C(C=C3)OC)OC)Cl 1 4.953 2 2 -6.02049060693089 2134297 COC1=C(C=C(C=C1)C2=CN(C(=S)N2)C3=CC=CC=C3)OC 1 3.802 2 2 -5.62056559721291 2134291 COC1=CC=CC=C1NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N 1 1.551 6 3 0 -24.8588962601586 2134264 CCOC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC(=O)NCCCOC)SC4=C3CCCCC4 1 3.502 3 5 0 -25.0203037905649 2134247 CC1=CN2C(=NC(=C(C2=O)C=NCC3=CN=CC=C3)NCC4=CC=CC=C4)C=C1 1 2.308 5 1 -11.3778099965123 2134226 CC1=CC=C(C=C1)N2CN=C(NC2=S)C3=CC=C(C=C3)OC 1 4.65 3 1 -4.77141516589065 2134222 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2 1 1.101 3 3 0 -17.0711429503186 2134207 CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CN=C2)Br 1 1.123 3 3 0 -10.9301708075034 2134172 CCS(=O)(=O)NC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C4=CC=CC=C4 1 5.227 2 2 4.33122591765978 2134169 CC1=CC2=C(C=C1)N=C(C=C2C3=CC=CC=C3)C4=CC(=CC=C4)NS(=O)(=O)C 1 4.878 2 2 4.29092856416731 2134165 CCS(=O)(=O)NC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C4=CC=CC=C4 1 5.227 2 2 3.15345936540635 2134058 CCOC(=O)C1=C(NC(=C1C)C(=O)NNC(=O)C2=CC=C(C=C2)C(C)(C)C)C 1 3.493 3 4 0 -6.15709282489683 2134056 CCOC(=O)C1=C(NC(=C1C)C(=O)NNC(=O)C2=CC=C(C=C2)Br)C 1 2.841 3 4 0 -8.36988802852275 2134054 CCOC(=O)C1=C(NC(=C1C)C(=O)NN=CC2=CC(=C(C=C2)OC)OC)C 1 2.871 3 5 0 -12.6361043556665 2134051 CCOC(=O)C1=C(NC(=C1C)C(=O)NN=CC2=CC=C(C=C2)Br)C 1 3.652 3 3 -8.04965860009269 2134008 CCOC(=O)C1=C(NC(=C1C)NC(=O)NNC(=O)C2=CC=CC=C2Cl)C 1 2.498 4 4 0 -8.5743328460791 2133840 CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)C 1 2.682 2 5 0 -16.8487794167527 2133924 CC1=CC(=NN1C(=O)CCCCCCCCC(=O)N2C(=CC(=N2)C)C)C 1 4.171 4 2 -9.90142984782735 2133919 CC1=C(C=C(O1)C2=C(C=CC(=C2)Cl)Cl)C3=NN4C(=NN=C4S3)C 1 4.102 4 1 2.34676599231869 2133909 CN(CC(C(F)F)(F)F)S(=O)(=O)C1=CC=C(C=C1)NC(=O)OC 1 1.715 2 4 0 -9.24477689696592 2133906 C1CCC(CC1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.536 2 5 0 -23.6741452033198 2133895 C1CN(CCN1CC2=CC=CC=C2)C(=O)C(Cl)Cl 1 2.315 2 1 -1.72196644858072 2133825 C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3)Br 1 1.928 3 3 0 -11.2130070433704 2133793 C1=CC=C2C(=C1)C(=CC(=C2O)SC3=CC=CC4=C3N=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)F 1 5.494 2 3 -1.93196033282873 2133777 C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC4=NC=NN4 1 3.404 4 3 0 -8.01281568570785 2133753 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O 1 1.732 2 5 0 -8.9583243443995 2133750 CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C 1 4.07 1 4 -6.11109298837605 2133742 CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2 1 3.958 1 2 -3.0039268649632 2133717 C1=CC=C2C(=C1)N=C(O2)SCC3=C(N4C=CSC4=N3)Cl 1 3.582 3 1 -2.11530893817508 2133606 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 2.04 2 4 -10.2822702049608 2133613 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3.795 3 1 -7.74984353474161 2133297 CC(C)NC(=O)NC1C2CC3CC(C2)CC1C3 1 2.353 2 1 -8.32990516549275 2133292 CCNC(=S)NNC(=O)C1CCCCC1 1 2.23 3 1 -7.93974400690727 2133269 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C 1 1.214 5 6 0 -24.7521415090888 2133145 CCOC(=O)NC(C(=O)C1=CC=CC=C1)NC(=O)OCC 1 2.224 2 5 0 -7.98230107060854 2133102 COCCCNC(=O)/C(=C/C1=CC=C(C=C1)F)/C#N 1 1.481 2 2 0 -15.6043557224619 2133034 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=CN=CC=C3 1 0.917 3 3 0 -10.0722021756578 2133030 CCOC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 2.079 2 4 -9.93098395805198 2132994 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NN=C(C(=O)OC)C(=O)OC 1 2.73 2 8 0 -13.1691563491633 2132993 CC(C)OC(=O)CCCCCN1C(=O)CSC1=S 1 3.065 1 3 -16.8624402330874 2132980 CCC1=NC2=C(C=CS2)C(=O)N1N 1 0.79 3 1 0 -6.64198553335688 2132949 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)OC4=CC=CC5=C4N=C(C=C5)C 1 5.685 3 1 2.45358567662154 2132913 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C5C(=CSC5=NC=N4)C6=CC=CC=C6 1 4.64 4 2 4.61735813563445 2132822 C#CCSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3 1 6.196 4 0 -11.5817962559559 2132792 COC1=C(C=C(C=C1)C(=O)OCCNC(=O)C2=CC=NC=C2)OC 1 1.358 2 5 0 -16.3393286243693 2132776 COC(=O)/C(=C\C1=CN=CC=C1)/NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3 1 3.058 2 4 -12.8618667575265 2132733 C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CC=C5 1 4.569 3 4 0 -26.4084248429457 2132670 CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NN=C(C(=O)CCl)C(=O)OCC 1 3.138 2 7 0 -12.9727944004893 2132630 CC1=NC2=C(C=CS2)C(=N1)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.08 3 3 -21.473440550693 2132623 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C 1 3.987 3 3 -32.1266358606397 2132583 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CSC3=NC=NC4=C3C=CS4 1 4.322 3 4 0 -14.3797829916082 2132539 CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N4C(=N3)C5=CC=CC=C5C(=N4)NCCCN(C)C 1 3.955 5 1 4.52549941013819 2132522 CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5 1 3.736 4 2 -21.5492495294687 2132496 C1=CC=C2C(=C1)C=CC=C2CC(=O)NN3C(=O)/C(=C\C4=CN=CC=C4)/SC3=S 1 3.673 3 2 -8.21628466715964 2132437 CC1=CC(=NC(=C1C#N)SCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C)C 1 5.159 3 1 -16.8912654330312 2132388 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 3.461 2 5 0 -10.4606291215528 2132356 CC1=CC(=NC2=CC=CC=C12)SCC#N 1 3.314 2 0 -1.90610334711881 2132338 CC(=O)/C=C\C1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 1 2.309 1 3 -6.38664111524492 2132327 CC(=O)/C=C\C1=CC=CC=C1OC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.49 0 5 -6.6150462440736 2132309 CC1=C(C(=NN1S(=O)(=O)C2=CC=CS2)C)SC3=CC=C(C=C3)[N+](=O)[O-] 1 3.858 3 4 0 -4.84829991651323 2132296 CC1(CCCCC1)C(=O)NC(=S)NNC(=O)C2=CC=NC=C2 1 2.402 4 2 -7.47092382873616 2132264 CN(C)CCNC(=O)/C(=C/C1=CC=C(O1)C2=C(C=C(C=C2)Cl)Cl)/NC(=O)C3=CC=CC=C3 1 4.667 3 3 -8.57633463348194 2132141 CC1=CC=C(C=C1)SC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 4.257 0 4 -0.780865601231011 2131984 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)Br)/C(=O)NCCCN(C)C 1 4.635 3 3 -13.4377778108291 2131982 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])/C(=O)NCCCN(C)C 1 3.781 4 5 0 -17.1504655155425 2131972 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)NCCCN(C)C 1 3.781 4 5 0 -16.1439537296606 2131970 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)NCCCN(C)C 1 3.781 4 5 0 -16.1439537296606 2131952 COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NCC3=CN=CC=C3 1 2.411 3 3 -20.2201209999217 2131946 CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)NCCCN3CCOCC3 1 2.323 3 3 -20.8845917803392 2131904 CC(C)NC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C 1 0.951 3 4 0 -19.8951889096775 2131826 CN(C)CCNC(=O)/C(=C/C1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 3.232 4 5 0 -14.5513587753103 2131824 CN(C)CCNC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)Cl)/NC(=O)C3=CC=CC=C3 1 4.002 3 3 -10.2911288848525 2131820 CN(C)CCNC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2 1 2.028 4 4 0 -19.1152551405908 2131747 CC(=O)C1=CC=C(C=C1)N=C2N(C(=CS2)CC(=O)OC)CC=C 1 2.316 2 3 -15.3554819298179 2131730 CC(=O)NC1=CC=C(C=C1)N=C2N(C(=O)CS2)CC=C 1 1.825 3 2 0 -15.0754222937734 2131669 C1=CC=C(C=C1)C2=CSC(=NC3=CC=CC=C3)N2CCNC(=O)CCC(=O)O 1 2.625 3 3 -14.4047753724975 2131658 CCN1C(=CSC1=NC2=CC=C(C=C2)S(=O)(=O)O)C3=CC=CC=C3 1 3.269 2 3 -4.78609868012995 2131650 C=CCNC1=NC(=CS1)C2=CC=C(C=C2)Cl 1 3.391 2 0 3.68783412774639 2131642 CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.69 2 3 -12.2829971435119 2131630 C1=CC=C(C=C1)C(=O)NCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 1.157 4 5 0 -12.7898700800088 2131628 CC\1(C2=CC=CC=C2N(/C1=C\C=NNC(=O)C3=CN=CC=C3)C)C 1 2.42 4 1 4.05148559335181 2131622 CCCCCC(=O)NN=CC1=CC=CC=C1[N+](=O)[O-] 1 2.949 3 3 -10.9081106639432 2131619 C1=CC=C(C=C1)C(=O)NCCCCCC(=O)NN=CC2=CC=C(C=C2)F 1 3.43 3 2 -16.0243474329649 2131617 C1=CC=C(C(=C1)C(=O)NCCCCCC(=O)NN=CC2=CC=CO2)Cl 1 3.284 3 3 -17.1520779324174 2131615 C1=CC=C(C=C1)C(=O)NCCCCCC(=O)NN=CC2=CC=CO2 1 2.62 3 3 -17.1784533603214 2131595 C1=CC(=CC=C1C=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)Cl 1 5.081 2 2 -6.27518998361933 2131570 C1COCCN1CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -0.269 3 5 0 -23.8359610140955 2131557 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(N2)C3=CC=CC=C3)SC(=O)C 1 4.22 2 3 -3.53480854960973 2131552 CC1=CC=CN2C1=NC(=C(C2=O)C=NCCO)NC3=CC=C(C=C3)Cl 1 2.271 4 2 -6.05948904556853 2131520 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)OCO4 1 2.157 1 5 -10.4506843468892 2131513 CCOP(=O)(C(=C(Cl)Cl)NC(=O)C1=CC=C(C=C1)Cl)OCC 1 3.148 1 4 -5.77830484393578 2131503 C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Cl 1 5.673 3 3 -4.29109254347836 2131481 CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCC=C)C 1 2.125 3 2 -22.7624414974517 2131479 CCOC(=O)CCCSC1=NC2=C(C(=C(S2)C)C)C(=O)N1 1 3.074 2 3 -20.816255022263 2131318 CC(C)N1C2=CC=CC=C2C3=NC4=CC=CC=C4N=C31 1 4.347 3 0 -2.90802063189005 2131273 CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C)/SC2=S 1 4.657 1 2 -3.43483014452385 2131134 C=CCNC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2 1 2.506 3 4 0 -24.2980034273391 2130911 C1=CC=C(C(=C1)CN2C3=CC=CC=C3/C(=C\4/C(=O)N(C(=S)S4)CC(=O)O)/C2=O)Cl 1 3.897 2 4 -7.88580121011137 2130879 CC1=CC(=CC(=C1O)C)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2 1 3.658 2 2 -11.5280917262915 2130721 C=CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.593 4 4 0 -33.0673401599887 2130720 CC1=CC(=NN1C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C 1 1.934 3 3 0 -20.0385773820279 2130698 CC1=CS/C(=C(/C#N)\C(=O)NCC2=CC=CO2)/N1C3=CC=CC=C3 1 2.763 3 2 -12.3064439414995 2130669 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC(=CC(=N3)C)C 1 3.824 3 3 -13.7021509129816 2130349 CC1=CC=CC=C1NC2=NC(=O)CS2 1 2.368 2 1 -6.16586422869382 2130285 CC1=CC(=CC=C1)OCCN2C3=C(C=C(C=C3)C)C(=O)C2=O 1 3.481 1 3 6.75158059015 2130284 CC1=CC2=C(C=C1)N(C(=O)C2=O)CCOC3=CC=CC=C3 1 2.994 1 3 6.27379988796674 2130283 CC1=CC2=C(C=C1)OC(=O)N2CC3=CC(=C(C=C3)OC)OC 1 3.583 1 4 -2.67517060135415 2130278 CC1=CC(=CC=C1)OCCCN2C3=C(C=CC(=C3)C)OC2=O 1 4.213 1 3 2.32728773018308 2130277 CC1=CC2=C(C=C1)OC(=O)N2CCCOC3=CC=CC=C3C 1 4.213 1 3 2.48786272906074 2130230 CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C)C 1 1.942 5 4 0 -23.8207081455927 2130269 CC1=CC2=C(C=C1C)N(C=N2)CCOC 1 2.392 2 1 -5.88197595665615 2130268 CCCCN1C=NC2=C1C=C(C(=C2)C)C 1 3.852 2 0 -4.85063803692153 2130267 CC1=CC2=C(C=C1C)N(C=N2)CCCCOC3=CC=CC=C3 1 4.798 2 1 -1.87468179546193 2130260 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NNC(=O)C2=CC=CC=C2O 1 3.125 3 3 -5.74090539846849 2130259 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 0.904 4 6 0 -23.6607828613137 2130257 CCCCNC(=O)NC1=NOC(=C1)C 1 1.413 3 2 0 -18.1190576565154 2130250 CCCNC(=O)NC1=NC2=CC=CC=C2S1 1 2.444 3 1 -5.79001495492291 2130249 CCCNC(=O)NC1=NC=CS1 1 0.816 3 1 0 -10.1046713425152 2130238 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(C(=C(S4)C)C)C(=O)N3 1 2.711 5 5 0 -29.154532024891 2130130 COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CS3 1 2.877 2 3 -22.1533393529543 2129996 CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3OC2=O 1 3.726 1 3 2.08987185968002 2129848 CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCC3)C4=CC=CC=C4 1 4.44 1 4 6.97087546686162 2129759 C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)NC4=NC=CS4 1 2.858 2 2 -5.27956821669901 2129711 CN(C)C(=S)NC(=NCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2 1 4.186 4 2 -8.54222906169271 2129703 CC1=CC=CC=C1OCCCCN2C=NC3=CC=CC=C32 1 4.312 2 1 -2.24991071909161 2129688 CC1=CC2=C(C=C1)N=C(N2)SCCCCOC3=CC=CC=C3 1 5.189 2 1 -1.91201928905763 2129686 CC1=CC(=CC=C1)OCCCSC2=NC3=C(N2)C=C(C=C3)C 1 5.096 2 1 -0.286338826562993 2129628 CC1=CC(=CC(=C1O)C)/C=C(\C#N)/C(=O)N2CCCCC2 1 3.198 2 2 -10.319619613261 2129554 C1=CC=C2C(=C1)N=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.804 3 5 0 -0.388033613183567 2129448 CC1=CC(=NO1)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C 1 2.115 4 4 0 -18.4090631728742 2129439 CC1=CC(=C(N1C)C)C(=O)COC2=CC=CC3=C2N=CC=C3 1 2.846 2 2 -8.0337200195097 2129432 CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C3(CCCC3)NC2=O)Cl 1 2.304 3 3 -4.97363517596273 2129427 C1=CC2=C(C(=C1)OC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])N=CC=C2 1 2.473 3 4 0 -7.83708009160598 2129425 CC1=C(C2=NC(=CC(=O)N2C=C1Cl)CN3CCN(CC3)C(=O)C)Cl 1 0.465 4 2 0 -6.4060780171208 2129418 CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3CC3 1 2.973 2 2 -3.88287456331555 2129401 C1CC(C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 3.431 1 4 -4.90977066939683 2129400 CC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCCN2C(=O)CSC2=O 1 1.769 2 5 0 -19.0641868208494 2129397 CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)COC2=CC=CC=C2 1 3.351 1 4 -9.03545212378439 2129388 CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)CC3=CC=CC=C3 1 4.108 3 3 -19.0342731918397 2129382 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=CN2C3=CC=CC=C3 1 2.574 5 4 0 -16.0430293477618 2129380 CC(C)[C@@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)N 1 1.021 4 4 0 -16.6400316140415 2129379 C1=CC(=CC=C1CC(=O)NCC2=CC=NC=C2)[N+](=O)[O-] 1 1.4 3 3 0 -11.3734626924893 2129377 C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)N 1 0.406 4 4 0 -21.6192268987227 2129356 CC(C)(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-] 1 2.887 4 4 0 -8.22454969811614 2129347 CC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(OC(=C2)C)C 1 2.202 1 4 -9.50540373126812 2129293 C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=NC=C5 1 2.695 3 5 0 -13.9569518939271 2129287 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NCCC3=CC=C(C=C3)Cl 1 3.324 3 2 -7.28938651587989 2129280 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)Cl 1 3.772 4 2 -5.80941756098359 2129275 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC 1 3.863 4 2 -7.46949818615472 2129265 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=NCCS3 1 3.428 4 1 -15.731058663602 2129248 CC1=CC=CC=C1NCCC(=O)NC2=CC=C(C=C2)Cl 1 3.673 2 1 -5.4102410901463 2129239 C1CN(CCN1C2=NC=CC=N2)C(=O)CC3=CC=CC4=CC=CC=C43 1 1.938 4 1 0 -3.2401187922622 2129238 COC1=CC=C(C=C1)CCC(=O)NCC(=O)OCC2=CC=CC=C2 1 2.803 1 4 -15.4195176509648 2129237 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCNC(=O)C3=CC=CO3 1 1.782 3 3 0 -7.93001680350307 2129213 C1CN(CCC1C(=O)N)C(=O)/C=C/C2=CC=CO2 1 0.581 2 3 0 -5.34785811157809 2129185 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C 1 2.056 6 2 0 -28.8429689774532 2129136 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N(C)C3=CC=CC=C3 1 3.169 4 1 -17.5115676320311 2129084 CC1=CC(=C(C=C1)NC(=O)COC(=O)CC2=CSC=C2)C 1 2.99 1 3 -13.4007765833756 2129046 COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)NC3CC3 1 2.775 4 2 -8.83199991909514 2129023 C1=CC(=CC=C1/C=C/C(=O)OCC(=O)NC2=NC=C(C=C2)Cl)F 1 3.047 2 3 -3.18855556434647 2129018 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 2.312 3 5 0 -17.1878807438404 2129011 C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.21 2 4 -7.74186903885135 2129010 CC1=CC(=NO1)NC(=O)COC(=O)C2=CC=CO2 1 0.855 2 5 0 -16.294132344463 2129006 C1=CC=C(C=C1)CNC(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 2.954 3 3 -12.8395123703914 2129003 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C 1 3.062 3 4 0 -21.2680131849286 2128998 C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC(=O)N)C3=CC=CC=C3 1 0.944 4 4 0 -7.93211979311084 2128997 C1CCC(CC1)NC(=O)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 3.229 3 3 -10.0723654073291 2128982 COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2)[N+](=O)[O-] 1 2.984 2 6 0 -19.5434480532195 2128963 CN(CC(=O)OCC(=O)NC1=C(N=CC=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.677 3 5 0 -12.130700549443 2128942 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4 1 2.431 2 6 0 -17.0388287345882 2128937 C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4 1 1.986 3 6 0 -14.8662119050483 2128925 CC1=CC(=NO1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.289 3 5 0 -24.6285591160136 2128923 CC1=CC(=NO1)NC(=O)COC2=CC=CC3=C2N=CC=C3 1 1.774 3 3 0 -18.812788692745 2128917 CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)NC2=CC=CC=C2OC(F)F 1 2.135 2 5 0 -12.041843248335 2128886 CCOC(=O)NC(=O)COC(=O)C1=CC=CC2=CC=CC=C21 1 2.429 1 5 -7.57519078858777 2128872 C1CC1C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 3.533 1 3 -11.3553695373876 2128866 CC1=CSC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.165 3 3 -26.5212023142953 2128859 CC1=CC(=C(C=C1C(=O)COC(=O)CCNC(=O)C)C)C 1 2.043 1 4 -12.0584549724511 2128809 CC1=CC(=C(C=C1C(=O)CSC2=NNC(=O)N2C3CC3)C)C 1 3.821 3 2 -11.0837970832859 2128785 C1CC2=C(C1)C=C(C=C2)OCC(=O)OCC(=O)NC3=CC=CC=C3 1 3.214 1 4 -11.2130635278404 2128766 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)C(F)(F)F 1 3.308 2 2 -4.54687642348812 2128755 C1CCC(CC1)CNC(=O)CON2C3=CC=CC=C3N=N2 1 0.505 4 2 0 -7.0073883470839 2128733 CC1=C(C(=CC=C1)C)NC2=NN=C(S2)SCC(=O)NCC3=CC=CO3 1 3.097 4 2 -22.0856190510181 2128710 CN(C1CCCCC1)C(=O)COC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 3.323 5 2 0 -5.5167678658878 2128703 CC(C)CCNC(=O)COC(=O)/C=C/C1=NC2=CC=CC=C2C=C1 1 3.408 2 3 -11.7312814492631 2128696 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)Cl 1 2.779 5 3 0 -12.5366262922775 2128690 C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NN=C4N3C5=CC=CC=C5S4 1 4.681 6 1 0 -20.4385291811436 2128689 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4 1 3.176 1 7 0 -20.392477317824 2128688 COCCCN(CC(=O)O)S(=O)(=O)C1=CC=CC=C1 1 0.359 1 5 0 -15.3660244355335 2128671 C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)N 1 2.799 2 2 -0.844932450488357 2128668 COC1=C(C=C(C=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2)OC 1 1.3 2 7 0 -20.6241070548601 2128635 CC1=CC(=CC=C1)OCCSC2=NN=CN2C 1 2.601 3 1 -9.15073883116362 2128632 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3 1 3.203 2 6 0 -12.7340656781931 2128623 COC(=O)CC1=CSC(=N1)NC2=CC(=C(C=C2)F)Cl 1 2.928 2 2 -0.306500410935026 2128618 CC1=CC(=C(N1CCOC)C)C(=O)COC2=NC3=CC=CC=C3N=C2C 1 2.815 3 3 -11.2210390947014 2128616 COC1=C(C=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=C(C=C4)F)Cl 1 4.33 3 2 -1.05385278146792 2128611 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)C2=CC=C(C=C2)Cl 1 3.105 2 2 -12.7438787674877 2128508 C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC(=O)NC3=CC=CC=C3C4=CC=CC=C4 1 4.638 3 4 0 -19.47303567037 2128506 CN(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)O)C(=O)N1CC=C 1 1.748 3 4 0 -23.618582308396 2128498 CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)NC4=NN=C(S4)C 1 3.338 3 2 -0.95959029898591 2128495 CC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 1.857 3 4 0 -19.8972781626608 2128451 CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)OC(F)F 1 2.261 2 5 0 -12.0161945473501 2128446 CC(C)(C)NC(=O)NC(=O)COC(=O)COC1=CC2=C(CCC2)C=C1 1 2.348 2 5 0 -16.9440270215935 2128445 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CO3 1 1.092 2 5 0 -24.784367770373 2128444 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC(=O)N 1 0.431 2 6 0 -17.5636821686475 2128437 COC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SC)OC 1 2.512 2 3 -12.9251609308819 2128432 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC3=NC=NC4=C(C=C(C=C43)Cl)Cl 1 2.969 5 3 0 -11.797584260887 2128431 CC1=C(C(=NO1)C)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.784 2 5 0 -14.22323167734 2128420 CC1=CC(=C(C=C1)C)S(=O)(=O)NN=CC2=CC=C(C=C2)C(=O)OC 1 3.214 2 4 -4.34985840828658 2128407 CCC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC(=C(C=C3)OC)Cl 1 2.965 3 4 0 -9.84564604912098 2128402 CC1=C(C=CC(=C1)NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O)Br 1 3.3 3 3 -7.15069334388502 2128401 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.982 2 5 0 -26.6767106785203 2128395 CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=CN3C 1 2.975 4 1 -11.9068408482739 2128380 CN1C(=O)C=CC(=N1)C(=O)NC2=NC3=CC=CC=C3N2 1 0.967 5 2 0 -4.05052377263216 2128353 C1CCC(CC1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.696 2 4 -22.3592201249492 2128351 CC1=NN(C(=C1/C=C(\C#N)/C(=O)NC2=CC(=C(C=C2)OC)Cl)Cl)C3=CC=C(C=C3)F 1 4.743 4 2 -9.29979627657503 2128346 CC1CCN(CC1)C(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.801 2 2 -10.7158927389914 2128334 CC1=CC(=C(C=C1Cl)OC)NC(=O)COC2=NC(=NC(=C2)C)C(C)C 1 3.712 3 3 -10.9781064736166 2128326 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC=CC=C3OC 1 3.388 3 3 -13.2221516066501 2128324 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC(F)F 1 3.382 2 5 0 -6.333246603963 2128301 CC1=CC(=C(N1C)C)C(=O)CN2C(=O)C3=CC=CC=C3N=N2 1 2.678 4 2 -19.7859112689002 2128296 COC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.393 2 4 -7.15485691785658 2128293 CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.63 3 6 0 -23.9325850388649 2128262 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CSC2=CC=C(C=C2)Cl)N 1 1.3 3 5 0 -15.1465159184139 2128248 CCOC(=O)C1=C(NC(=C1C(=O)COC2=NC=NC3=C2C=CC(=C3)[N+](=O)[O-])C)C 1 2.65 4 6 0 -3.37870168591092 2128234 COC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4 1 2.411 1 7 0 -10.5843412475296 2128214 CC1=CC(=NO1)NC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CS3 1 2.068 3 5 0 -25.7124021150592 2128213 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2C=CSC2=N 1 -0.19 4 3 0 -17.7601801763237 2128208 CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC(=CC(=N2)N)N)C)C 1 1.543 5 3 0 -8.32380228894192 2128204 C1CCC(CC1)NC(=O)COC2=C3C=CSC3=NC=N2 1 2.552 3 2 -10.220871660192 2128203 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCCOC3=CC=C(C=C3)Cl 1 3.196 2 4 -8.83488772022133 2128178 COC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)N3CCC4=CC=CC=C43 1 2.924 1 5 -12.2599605761471 2128152 CC1=CC(=CC=C1)OCC2=NN=C(O2)SCN3C(=O)C4=CC=CC=C4N=N3 1 4.167 5 3 0 -24.8067310934247 2128149 CCOC1=CC=CC=C1NC(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C 1 1.903 2 6 0 -16.5335724137187 2128137 CC(C)CCNC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)SC 1 2.036 3 4 0 -22.3631157208002 2128135 CCCC(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2 1 3.899 1 3 -13.6468843980839 2128134 CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)C2=C(N=CC=C2)Cl 1 2.108 2 4 -9.96252568351204 2128131 CC(C)CCNC(=O)NC(=O)COC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-] 1 2.467 3 6 0 -15.6966357109322 2128129 CCOC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)O 1 1.279 1 6 0 -7.58306346519852 2128115 C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)NC(=O)NCC3=CC=CO3)Br 1 2.931 5 3 0 -10.214598864465 2128088 C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC(=O)NC3=CC=C(C=C3)F 1 3.325 3 4 0 -23.1243570578997 2128054 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CC4=CC=CC=C4O3 1 4.132 2 2 4.77423633450762 2127986 CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl)C 1 0.668 3 5 0 -15.4836483146043 2127949 CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)COC3=CC=C(C=C3)C=O 1 3.475 2 4 -6.31498867861746 2127943 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)OC)C 1 3.212 2 7 0 -16.4742361513508 2127941 C1CCN(CC1)C2=NC(=C(S2)C=NNC(=O)N)C3=CC=CS3 1 2.457 5 1 -4.17579463800925 2127929 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC4=C(C=C3)OCO4 1 1.588 4 4 0 -12.2869477724979 2127924 CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C)Cl 1 3.282 3 4 0 -11.8841175750336 2127907 C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3 1 1.327 3 5 0 -9.33703637476321 2127904 C1CC1N2C(=O)NN=C2SCC(=O)C3=CNC4=CC=CC=C43 1 2.656 4 2 -11.1940001107534 2127869 CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C5=NN=C6N5CCCCC6 1 5.527 4 2 1.92698517627416 2127847 COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)OCC#N 1 2.01 5 5 0 -19.6050427859804 2127840 C1COCCN1C2=CC=CC=C2NC(=O)C3=NC4=CC=CC=C4C=C3 1 3.079 3 2 -8.67503993141395 2127829 CC1=C(OC2=CC=CC=C12)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br 1 2.964 2 4 -5.3823793179266 2127802 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3 1 0.359 3 7 0 -8.88253647181996 2127786 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=CC=N3)Cl 1 3.113 4 3 0 -7.60844791637158 2127766 CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)N(C)C)C 1 4.433 1 4 -10.3472337371463 2127755 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3F 1 2.841 5 3 0 -27.2089882540813 2127740 CC(C)(C)CC(C)(C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 3.686 3 3 -27.2408862868764 2127737 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)F)F 1 3.059 2 3 -18.5555286278379 2127695 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=C(C=C3)OCC(=O)O 1 2.619 3 7 0 -17.6728680178262 2127686 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NN=CC4=CSC=C4 1 4.432 3 1 -9.17630726667434 2127659 CN1C(=O)C=CC(=N1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC 1 2.077 4 2 -7.45224580113298 2127619 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC 1 3.673 3 4 0 -12.9436883627034 2127609 CCC1=NN=C(S1)NC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl 1 2.984 5 1 -13.3429974898637 2127581 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)NC3=CC=C(C=C3)F 1 2.569 4 2 -0.416442514104776 2127580 CC1=CC=C(C=C1)NC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.849 4 2 -1.12831953957003 2127579 CCCCNC(=O)NC1=NN=C(O1)C2=CC=CC=C2 1 2.115 4 2 -7.67651677968318 2127576 CC1=CC(=CC=C1)NC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.849 4 2 0.661931787234323 2127575 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)NC3=C(C=C(C=C3)F)F 1 2.774 4 2 -1.9454907263413 2127567 C1CCC(CC1)NC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 2.645 4 2 -5.461699806919 2127565 C1=CC=C(C(=C1)NC(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Cl)Cl 1 3.692 4 2 -0.774507987689388 2127558 CCOC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)NC3CCCCC3 1 2.977 4 3 0 -6.16637275145596 2127543 COC1=CC=CC(=C1)COC(=O)NC2=CC=CC=C2F 1 3.366 1 3 -3.71911290219553 2127541 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=S)NC4=CC=CC(=C4)C(F)(F)F 1 6.796 2 2 -6.16817806533523 2127536 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)NC3=CC(=CC=C3)Cl 1 3.028 4 2 1.52315549061064 2127533 CCOC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)NCC(=O)OCC 1 1.175 4 5 0 -8.5989525021071 2127532 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)NC3=CC=CC=C3 1 2.363 4 2 -1.57800513999162 2127514 C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3N2)OC(F)F 1 3.477 3 2 -1.97092329834822 2127512 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=NC(=CS4)C5=CC=NC=C5 1 3.667 3 2 -1.02518055183599 2127487 CC1=CC(=C(C=C1)C)OCC(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.803 4 2 0 -1.85458906717538 2127419 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=CC=C3)SC 1 3.502 3 2 -10.3507907039803 2127405 C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)N 1 0.969 2 5 0 -1.31408340146756 2127400 C1CCC(=CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.954 2 3 -23.2799131429726 2127386 COC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC 1 3.108 2 6 0 -13.0302077729765 2127374 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.495 3 5 0 -13.3313190939418 2127366 CC1=CC(=NO1)NC(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 1.217 3 5 0 -22.4801879581226 2127359 COC1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3N=C2 1 2.665 3 4 0 -4.05880705971025 2127357 CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC=C(C=C3)O 1 3.935 1 4 -3.62085105050293 2127334 CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)COC(=O)C4=CC=C(C=C4)N 1 2.454 4 4 0 -17.0948162599436 2127323 C1=CC=C(C=C1)C2=NN(C=C2C(=O)NN=CC3=CC=C(C=C3)OCC(=O)O)C4=CC=CC=C4 1 4.321 4 4 0 -0.925306147579343 2127219 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=CC=CC=C3N4CCOCC4 1 2.204 4 4 0 -13.1834127427603 2127262 CCCN(CC(=O)NC1=CC=C(C=C1)C(=O)C)CC(=O)NC2=CC=CC=C2C 1 2.691 3 3 -12.867403924242 2127161 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4 1 3.612 5 3 0 -10.2521525733639 2127157 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)Cl)Cl 1 5.187 3 4 0 -15.6551078072655 2127143 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4 1 2.853 5 2 0 -21.9737809038347 2127096 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC2=CC=C(C=C2)Cl 1 3.487 3 4 0 -30.5760624245962 2127086 CCSC1=NN=C(S1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC=C2)C 1 3.394 4 2 -25.5238997004402 2127084 CC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)NCC3=CC=CO3 1 3.279 2 2 -8.3361088359147 2127075 CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.666 3 3 -23.5529300875492 2127063 C1=CC=C(C(=C1)C(=O)NNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])F 1 2.364 3 4 0 -12.1988812137066 2127053 CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)F)NC(=O)C2=CC(=CC(=C2)OC)OC 1 3.181 2 4 -21.4578271327834 2127042 CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 4.976 2 4 -8.00267960239594 2127032 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N)C4=CN=CC=C4 1 1.723 7 4 0 -16.9811638865994 2127010 C1CN(CCN1C(=O)CCC(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.576 3 4 0 -22.23024073503 2127009 CC1=CC(=C(C=C1C(=O)CN2C(=O)CCC2=O)C)C 1 2.128 1 3 -6.9528937859937 2127006 CC1=CC(=CC=C1)S(=O)(=O)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F 1 4.399 3 3 -8.61995841371639 2126895 CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)NS(=O)(=O)/C=C/C2=CC=CC=C2 1 1.303 3 6 0 -4.74521318882358 2126875 COC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3 1 2.908 2 4 -8.06529992845958 2126848 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.641 5 2 0 -11.1742829193331 2126768 CN1C(=NN=N1)SCC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 1.964 6 1 0 -11.5586482395486 2126769 COC1=CC=CC(=C1)CSC2=NN=NN2C3=CC=C(C=C3)O 1 3.125 4 2 -13.3412277490025 2126774 CC(C)CNC(=O)COC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2 1 2.856 2 3 -16.5581386578306 2126799 CCCCNC(=O)NC1=NN=C(O1)C2=CC=C(C=C2)Cl 1 2.78 4 2 -5.38000167278117 2126797 CC1=CC(=C(C=C1)C(=O)NCCC2=CNC3=CC=CC=C32)C 1 4.208 2 1 -8.70253155401139 2126700 CCCNC(=O)COC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2 1 2.537 2 3 -17.6146901616212 2126691 CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 4.813 2 2 -0.215825392627752 2126689 C1=CC(=CC=C1CNC(=O)CSC2=NN=C(O2)C3=CC=NC=C3)Cl 1 2.369 4 2 -13.0098242270145 2126686 COC1=CC(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 1 4.658 1 4 -3.76541648289736 2126621 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)C 1 2.903 1 8 0 -18.5485610729619 2126656 CN(C)C1=CC=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.551 2 3 -12.4774294093853 2126594 CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(S2)NC3=CC=CC=C3 1 3.607 3 2 -13.6564981834942 2126584 CSC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3 1 2.668 4 3 0 -18.0588999516096 2126566 CC(C)[C@@H](C(=O)NC1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.026 4 4 0 -16.9316900110775 2126547 CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=CO2 1 1.56 2 3 0 -11.22247050041 2126544 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=CC=CC=C4N3 1 3.851 4 3 0 -11.4814526446874 2126542 CC(=O)NCCC(=O)NC1=C(C2=C(S1)CCCC2)C3=NC4=CC=CC=C4N3 1 2.868 4 2 -15.6767882105435 2126530 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC3=C(ON=C3C)C 1 3.215 1 5 -0.887785681187416 2126522 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CCC(=O)C2=CC=CS2 1 2.275 2 3 -15.7863998427288 2126515 CCC1=NN=C(S1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.37 4 4 0 -26.1958822860422 2126511 CC(C)[C@@H](C(=O)NC1=NN=C(S1)C2CC2)NC(=O)C3=CC=C(C=C3)C(C)(C)C 1 3.894 4 2 -17.1140911164882 2126379 CC1=NN(C(=C1C=NNC(=O)C2=CC=NC=C2)N3CCCCC3)C4=CC=CC=C4 1 3.245 6 1 0 -5.27639120899307 2126373 C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.905 3 6 0 -28.3779427064169 2126359 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NNC(=N2)N)N 1 -0.996 7 3 0 -12.5896518267749 2126334 CC(C)CN(CC(C)C)C(=O)CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=CS2 1 3.943 2 4 -19.2018161744318 2126306 CC(C)[C@@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)NC(=O)C3=CC=CO3 1 1.513 2 7 0 -21.7911608640393 2126292 CC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-] 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6.5996556436638e-002 2125179 CC(C)[C@@H](C(=O)N1CCC2=CC=CC=C21)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.249 2 4 -24.2900846530013 2125175 C1COCCN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5 1 2.529 4 5 0 -24.3525513285242 2125169 C1CC1N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)NC(=O)N4)C5=CC=CC=C5F 1 2.602 6 2 0 -21.9884505756134 2125164 C1=CC(=CC=C1CCNC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])F 1 2.02 4 4 0 -13.9784362440033 2125161 CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.296 4 3 0 -15.58789351938 2125151 CC1=CSC(=N1)SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C 1 4.467 4 1 -16.0437357424148 2125120 CC1=C(N=C(N=C1C)SCN2C(=O)C3=CC=CC=C3N=N2)C 1 3.798 5 1 -16.4760334556206 2125116 CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=NOC(=C2)C 1 2.271 2 6 0 -20.6778555724388 2125113 C1COC(=CO1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 1.232 3 5 0 -20.7703919853373 2125110 CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C 1 2.515 4 3 0 -4.65286788793194 2125103 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4 1 2.539 2 7 0 -19.3219513810056 2125101 C1CCN(C1)C(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 1.774 2 5 0 -7.65622017857828 2125098 CCCN1C(=O)NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.911 4 4 0 -20.7818736967117 2125096 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4 1 1.959 3 6 0 -15.529371396555 2125090 CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)C3=C[N+](=CC=C3)[O-] 1 1.14 2 6 0 -16.6547003791264 2125086 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C)C 1 4.227 1 7 0 -2.54509624658559 2125074 CC1=CC(=NO1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C4=CC=CC=C4 1 2.181 4 3 0 -21.3722641397182 2125065 C[C@@H](C(=O)OCC(=O)C1=CC=CN1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.237 2 5 0 -12.6401613016083 2125060 CC1=CSC(=N1)SCC(=O)NC(=O)NCC2=CC=CC=C2 1 2.074 3 2 -16.4497905653888 2125057 CC1=CSC(=N1)SCC(=O)NC2=NC=C(C=C2)Cl 1 2.34 3 1 -12.4497139037408 2125048 COCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3F 1 3.126 4 2 -21.7684280642786 2125043 C=CCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)COC4=CC=CC=C4F 1 4.615 4 2 -11.51854282056 2125032 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N)C 1 0.897 5 5 0 -19.4234906903849 2125027 C=CCN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4CCCCC4 1 3.898 4 3 0 -21.8247159391397 2125022 CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC=CC=C3 1 4.177 1 3 -6.39376695567621 2125018 CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)O)OC 1 4.386 1 5 -1.08114181637941 2125014 C1=CC=C(C(=C1)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)F 1 2.689 2 3 -10.1738608147194 2124995 C1CCC(C1)C(=O)NNC(=O)C2=CC=CC=C2F 1 2.082 2 2 -7.3384539178672 2124990 C1=CC=C(C=C1)C[C@@H](C2=NC3=CC=CC=C3N2)NC(=O)COC4=CC=C(C=C4)C#N 1 4.084 4 2 -5.98386200250567 2124987 COC1=C(C=C(C=C1)CC(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCOCC4 1 2.063 3 5 0 -17.2315422536852 2124983 COC1=C(C=CC(=C1)SC)C(=O)NC2=CC3=C(CCC3)C=C2 1 4.197 1 2 -5.86111416270946 2124982 CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC4=C(CCC4)C=C3 1 5.235 2 3 -14.8223528047739 2124981 C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NC3=NC=CS3 1 3.2 3 1 -10.5376464555783 2124974 CSC1=CC=CC(=C1)NC(=O)C2=CN=C(C=C2)Cl 1 2.879 2 1 -4.17046899819358 2124959 COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=CC=CC=C2N3CCOCC3 1 2.45 2 5 0 -11.1541321791202 2124954 C1COCCN1C2=CC=CC=C2NC(=O)CC3=CNC4=CC=CC=C43 1 2.792 3 2 -9.05992678970573 2124953 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CC3=CC=CC=C3F)OC 1 3.766 2 3 -6.61097208660492 2124942 C1CC2=C(C1)C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3 1 1.94 3 3 0 -6.52628319008606 2124937 C1CC1C2=NN=C(S2)NC(=O)CCCSC3=NC4=CC=CC=C4N3 1 3.127 5 1 -13.9484655828006 2124930 CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=NCCS2 1 3.907 2 2 -10.9844232392022 2124918 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3F 1 3.119 3 4 0 -16.01555101965 2124908 C1COCCN1C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Cl 1 2.413 2 3 0.394384242001455 2124882 COC1=CC=C(C=C1)C(=O)NNC(=O)CCC2=CC=CC=C2OC 1 2.329 2 4 -14.6153931096499 2124859 C1=CC(=CC=C1CCNC(=O)C2=CC(=C(N=C2)Cl)Cl)S(=O)(=O)N 1 2.035 3 3 -11.114295646811 2124858 CN1CCC2=C(C1)SC(=N2)NC(=O)COC3=CC4=CC=CC=C4C=C3 1 2.724 3 2 -3.43932455380175 2124847 CC1=CC(=NC2=NC(=NN12)C(=O)OCCOC3=CC(=CC=C3)Br)C 1 3.143 4 3 0 -11.3316127797084 2124834 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.339 5 6 0 -25.1799488155113 2124833 CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.645 4 3 0 -13.6977862912521 2124830 COC1=CC=C(C=C1)CC(=O)NCC2=CC=CS2 1 2.38 1 2 -11.8811059521808 2124825 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=CC=C(C=C3)F 1 4.038 2 2 -10.3489668406364 2124813 CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCC4=CC=CC=C43 1 2.207 4 3 0 -14.7147394740199 2124802 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CC(C)C)N 1 1.259 7 4 0 -13.6036259844473 2124796 COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)OC 1 1.386 4 5 0 -20.1609439300875 2124794 CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.797 4 4 0 -31.2072615363945 2124790 CC1=CC(=NO1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3OC 1 1.818 5 3 0 -24.2946534039671 2124779 COC1=CC(=C(C=C1)OC)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.854 2 6 0 -22.0535973443924 2124758 CC1=CN=C(S1)NC(=O)C2=C(N=CC=C2)SC 1 1.687 3 1 0 -10.2604257643334 2124752 C1=CC=C(C(=C1)CNC(=O)C2=CC(=O)NC3=CC=CC=C32)Cl 1 2.668 2 2 -15.0185815153838 2124746 CC(=O)NCCC(=O)NNC(=O)C1=C(C=CC(=C1)Cl)OC 1 0.163 3 4 0 -14.7625100807529 2124745 CC1=NN(C2=C1C=C(S2)C(=O)NC3=NC=CS3)CC4=CC=CC=C4Cl 1 3.823 4 1 -11.2334882632856 2124742 C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)NC4=NC=CS4 1 3.181 5 1 -1.19778625198553 2124711 C1=CC(=CC(=C1)F)OCC(=O)NNC(=O)CC2=CC=C(C=C2)Br 1 2.695 2 3 -4.34846881251071 2124708 CC1=CC(=C(C=C1C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C)C 1 3.565 3 4 0 -5.21355442663903 2124703 C1CC1N2C(=NN=C2SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4F 1 3.506 5 4 0 -17.5856129093526 2124686 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F 1 2.612 2 4 -15.6738347976834 2124679 C1=COC(=C1)CNC(=O)COC2=NC=NC3=C2C=C(C=C3)Br 1 2.484 3 3 -6.43118777009323 2124674 CC(C)C(=O)OCC(=O)NC1=C(C=CC(=C1)C(C)(C)C)OC 1 3.17 1 4 -8.48425600247309 2124629 CC1=CC(=C(N1CCOC)C)C(=O)COC2=NC=NC3=C2C=C(C=C3)Br 1 3.374 3 3 -6.55115445609509 2124628 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC3=NC=NC4=C3C=C(C=C4)Br 1 3.07 3 4 0 -6.11279293699745 2124611 COCCCN(CC(=O)O)S(=O)(=O)C1=CC(=CC=C1)Cl 1 1.024 1 5 0 -14.910437201615 2124546 CC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C3=NC4=CC=CC=C4N3 1 4.69 3 1 -11.3529475443617 2124528 CC1=C(C(=NO1)C)COC(=O)CCC2=NC3=CC=CC=C3S2 1 2.711 2 3 -11.985171286374 2124522 CSC1=C(C=CC=N1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.248 4 3 0 -24.9851078848278 2124519 CC1=NN(C(=C1C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)Cl)C4=CC=CC=C4 1 3.229 5 3 0 -16.8197264254477 2124490 CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NN=NN2C 1 2.402 5 1 -21.3582560902777 2124489 C1CN(CCN1C(=O)CSC2=NC=NN2)S(=O)(=O)C3=CC=CC=C3 1 0.523 5 3 0 -27.5818688700283 2124488 CCOC1=C(C=C(C=C1)C(=O)C)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 2.471 2 5 0 -11.3076612356508 2124481 COC1=C(C=C(C=C1)Cl)NC(=O)CN2CCCCCC2 1 2.977 2 2 -4.97701803825975 2124475 CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC(=O)NCC3=CC=CO3 1 1.887 4 4 0 -8.71549308841663 2124454 CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(N=C2)Cl)Cl 1 2.538 2 3 -11.4313059725174 2124453 COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NCC2=CC=CS2)OC 1 2.503 1 5 -16.4796653513802 2124450 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)N 1 0.379 6 3 0 -21.8731968810939 2124438 CCN(CC(=O)NC1=C(C=CC=C1F)F)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 2.991 2 5 0 -17.1599326704388 2124433 CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC=CC=N2)NC(=O)C3=CC=CC=C3Cl 1 3.888 4 2 -9.6971652676311 2124421 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCN3C(=O)/C(=C/C4=CN=CC=C4)/SC3=O 1 1.432 4 5 0 -24.4346130244073 2124393 CCOC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)CCCOC3=CC=CC(=C3)C 1 3.678 3 4 0 -4.16580276834688 2124377 C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)NC(=O)NCC3=CC=CO3 1 1.151 3 5 0 -8.99638972593462 2124318 C1COCCN1CC(=O)NC2=NC3=C(S2)C=C(C=C3)F 1 1.475 3 2 0 -4.07873594441272 2124287 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC3=C(ON=C3C)C 1 3.318 2 3 -13.0532671649528 2124214 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=CO3 1 1.975 2 4 0 -4.86961758983064 2124211 CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)COC2=CC=CC=C2C#N 1 2.862 2 4 -16.6978681427359 2124192 CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=COCCO3 1 1.698 0 6 0 -8.22666514417527 2124187 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)N3CC(=O)NC4=CC=CC=C43 1 2.706 3 4 0 -16.1252886243 2124186 C1=CC=C2C=C(C=CC2=C1)OCC(=O)OCC(=O)NCC(F)(F)F 1 2.496 1 4 -12.3542826766531 2124170 CC(C)[C@@H](C(=O)OCC(=O)NC(=O)C1=CC=CN1C)NC(=O)C2=CC=C(C=C2)OC 1 2.155 3 6 0 -21.1671745894006 2124166 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=CS3 1 0.469 6 3 0 -17.6278356276821 2124149 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2 1 1.225 3 6 0 -16.6793558261937 2124142 C1COC(=CO1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32 1 1.148 1 5 0 -7.10696667959911 2124093 C1CCC(=CC1)CCNC(=O)COC2=NN=CC3=CC=CC=C32 1 3.03 3 2 -9.96748589654743 2124087 CC(=O)NC1=CC(=CC=C1)OCC(=O)NCCC2=CCCCC2 1 2.321 2 3 -15.0128247353948 2124086 CC1=NN(C(=C1C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)Cl)C4=CC=C(C=C4)F 1 3.434 5 3 0 -15.34396266287 2124067 CCN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=CC=C(C=C3)C#N 1 1.958 4 3 0 -15.1732651254112 2124020 CC1=NN=C(N1N=CC2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)OC)OC)C 1 2.153 5 4 0 -10.4237098190166 2124005 CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 3.647 2 2 -3.49680995014204 2123998 C1=CC=C(C(=C1)CNC(=O)COC2=CC=C(C=C2)C3=NN=CO3)Cl 1 2.42 3 3 -9.07215094884865 2123990 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=C(N=C3)Cl)Cl 1 2.967 3 3 -6.69213274557625 2123987 C1CN(CCN1C(=O)CSC2=NC(=CC(=N2)N)N)S(=O)(=O)C3=CC=CC=C3 1 0.548 6 3 0 -25.2254064484015 2123970 COC1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC=NC=C3 1 2.426 3 2 -1.24184140803587 2123960 CC(C)CCNC(=O)COC(=O)C1=CC(=C(S1)Br)Br 1 3.595 1 3 -16.7734659202776 2123953 CC(=O)NC1=CC=C(C=C1)SCC(=O)NCCC2=CC=C(C=C2)F 1 2.662 2 2 -11.1112128896147 2123938 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)NC4=NN=C(S4)C5CC5 1 1.991 5 4 0 -22.3298809148042 2123929 CC1=CC=CC=C1S(=O)(=O)NC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4 1 4.143 3 2 -3.32907354776712 2123923 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NS(=O)(=O)C4=CC=C(C=C4)Cl 1 4.808 3 2 0.832627249593372 2123919 C1CC2=C(C1)SC3=NC=NC(=C23)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4 1 3.974 3 2 -6.75024965637892 2123860 CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NN=C4N3C=CC=C4 1 3.165 5 2 0 -12.0554683782668 2123858 CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NC4=CC=CC=C4N3 1 3.905 4 2 -5.30941497124393 2123828 CCOC1=CC=C(C=C1)C2=CSC(=N2)CN3C(=NC4=CC=CC=C4C3=O)CN5CCN(CC5)C 1 3.51 5 2 0 3.21892347348718 2123826 CC1=CC(=C(N1C2=CC(=CC=C2)SC)C)C(=O)N 1 2.541 2 1 -2.00025131551942 2123807 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)NC3=O)S(=O)(=O)N4CCOCC4 1 0.229 3 7 0 -26.5138644123349 2123759 C1=CC=C(C(=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)F 1 2.331 2 5 0 -10.8426921291198 2123750 CN(C1=CC=C(C=C1)OCC(=O)N2CCC(CC2)C(=O)N)C(=O)C3=CC=CS3 1 1.497 3 4 0 -11.9465585502474 2123745 CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NN=C(N3C)C4=CC=NC=C4 1 2.734 6 2 0 -7.66468867309836 2123742 CC1=CC(=CC(=C1)C(=O)N2CC(=O)NC3=CC=CC=C32)C 1 2.599 2 2 -12.5409039399411 2123741 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC(=O)NC4=CC=CC=C43 1 1.205 3 4 0 -25.8451345102228 2123729 CC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N(C(=O)NC3=O)CCC4=CC=CC=C4)N 1 3.897 3 3 -5.94192627587313 2123726 COC1=CC(=C(C=C1NC2=NCCCCC2)Cl)OC 1 3.01 2 2 -6.55918755622798 2123720 CC1=NC(=C2C3=C(CCC3)SC2=N1)NS(=O)(=O)C4=CC=C(C=C4)Br 1 3.77 3 2 -8.90175707711047 2123716 CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C4=NN=C5N4CCCCC5 1 3.638 5 1 -7.85490784935617 2123677 C1=CC=C(C=C1)CCCNC(=O)COC(=O)CN2C=NC3=CC=CC=C32 1 2.679 3 3 -15.8904788094907 2123627 CCOC1=CC=C(C=C1)C2=NN=C(O2)NC3=NCCCCC3 1 2.551 4 2 -3.48326208128547 2123624 CC1=NN=C(O1)NC2=NCCC2 1 -0.358 4 1 0 -7.81958163639947 2123616 CC1=NN=C(O1)NC2=NCCCCC2 1 0.555 4 1 0 -8.42309873095989 2123608 COC1=CC=CC=C1OCCNC2=NCCC2 1 1.505 2 2 0 -8.28119449010045 2123604 CC1=CC=CC=C1S(=O)(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.799 2 2 1.05995103183168 2123596 CC1=CC=C(N1C)CNC2=NCCCCC2 1 1.908 3 0 0 -7.56341155560689 2123590 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C3C4=C(CCCC4)SC3=NC(=N2)CN5CCOCC5 1 2.292 5 4 0 -15.9691879819004 2123585 C1CCC(=NCC1)NCC2=CC=NC=C2 1 1.235 3 0 0 -5.42924991575201 2123583 C1CCC(=NCC1)NC2=NNN=N2 1 0.749 6 0 0 -6.69676242993453 2123581 C1CC(=NC1)NC2=CC=C(C=C2)N3C=NN=N3 1 0.353 6 0 0 -15.2348006438913 2123569 CC1=CC=C(S1)C(=O)NC2=CC(=NN2C3=CC=CC=C3)C 1 3.347 3 1 -6.44991134027087 2123527 CC1=NC2=C(S1)C=C(C3=C2SC=C3)OCC(=O)N4CCC(CC4)C(=O)OC 1 2.613 2 4 -7.62692903912973 2123517 CCOC(=O)C1=CC(=NC2=C1C(=O)NC(=O)N2CCOC)C3=CC=C(C=C3)Cl 1 2.843 3 5 0 -8.10774013290518 2123516 CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)C4CCCCC4)C(F)(F)F)CCC5=NNN=N5 1 5.66 7 0 0 2.91629505929127 2123457 CC1=CC=C(C=C1)C2=NN=NN2CS(=O)(=O)C3=CC=CC=C3 1 2.708 4 2 -13.2888581776893 2123450 COC(=O)C1=NC(=NN1)NC2=NCCCCC2 1 0.921 5 2 0 -6.95410334866469 2123447 C1CCC(=NCC1)NC2=NN=C(S2)SCC3=CC=CC=C3 1 3.519 4 0 -14.7572888669255 2123444 CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NNC(=N3)N 1 1.924 6 2 0 -5.74476776729774 2123436 CC1=C(C(=CC=C1)C)NC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4 1 5.76 3 1 3.79760604886154 2123428 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4 1 3.951 4 4 0 0.388308269475176 2123393 CCCC(=O)NC(=S)C1=C(N(N(C1=O)C2=CC=CC=C2)C)C 1 2.193 3 2 -15.9558182603837 2123323 CC1=CC=C(O1)C(=O)N2C(=O)C3=C(C2=O)C(=CC=C3)N 1 1.104 2 4 0 -3.91185301320925 2123311 C1CCC(=NCC1)NC2=NN=C(S2)SCC3=CC=C(C=C3)Cl 1 4.184 4 0 -12.1204752715591 2123310 CCOC(=O)N1CCN(CC1)C(=O)CC2=CSC=C2 1 1.149 2 3 0 -10.3191363992462 2123309 C1CC2=C(C1)SC3=NC=NC(=C23)NS(=O)(=O)C4=CC=C(S4)Cl 1 3.311 3 2 -3.19896375844937 2123302 CC1=NN=C(S1)NC2=NCCC2 1 0.201 4 0 0 -9.47745955732479 2123297 COC1=CC2=C(C=C1)N=C(S2)NC3=NCCC3 1 2.075 3 1 -2.98125262822888 2123296 C1CC(=NC1)NCCC2=CNC3=CC=CC=C32 1 2.087 3 0 -7.43387485706338 2123294 C1CC(=NC1)NC2=NN=CS2 1 -6.e-002 4 0 0 -7.0206568640417 2123289 C1CC(=NC1)NC2=NC3=CC=CC=C3N2 1 1.523 4 0 0 -1.5057101853171 2123287 C1CC(=NC1)NC2=NN=C(O2)C3=CC=CO3 1 0.702 4 2 0 -3.18112085124197 2123282 CCC1=NN=C(S1)NC2=NCCC2 1 0.867 4 0 0 -10.6292145031798 2123280 C1CC(=NC1)NC2=NN=C(O2)C3=CC=CC=C3 1 1.307 4 1 0 -2.17507204218809 2123277 CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F 1 4.025 2 1 -7.10013164162101 2123263 CCCN1C(=C(C(=O)N(C1=O)C)C2=NC(=C(S2)C(=O)C3=CC=C(C=C3)NC(=O)C)C4CCCC4)N 1 3.162 5 4 0 -12.7056360435517 2123256 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NCC3=CC=CC=C3 1 1.664 2 6 0 -23.4931166518275 2123250 CC1=CSC(=N1)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)F 1 3.834 4 1 -4.32557391117121 2123230 C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C4=C(C=C(C=C4)Cl)NC3=O)S(=O)(=O)N 1 3.305 2 4 -1.27900207791236 2123207 C1=CC(=C(C(=C1)Cl)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Cl 1 3.208 4 3 0 -13.1991452439592 2123204 CC(C)C1=C(SC(=N1)C2=C(N(C(=O)N(C2=O)C)C)N)C(=O)C(C)(C)C 1 2.511 4 3 0 -12.2450629117375 2123203 CCCN1C(=C(C(=O)N(C1=O)C)C2=NC(=C(S2)C(=O)C3=CC=C(C=C3)OC(F)F)C4=CC=CO4)N 1 4.237 4 5 0 -1.64085694154192 2123195 CCCN1C(=C(C(=O)N(C1=O)C)C2=NC(=C(S2)C(=O)C3=CC=C(C=C3)F)C4CC4)N 1 3.335 4 3 0 -8.94579529464693 2123184 CCCN1C(=C(C(=O)N(C1=O)C)C2=NC(=C(S2)C(=O)C3=CC=CC=C3)C4=CC=CO4)N 1 3.431 4 4 0 -4.52484255998117 2123171 CC1=NC(=C2C3=C(CCCC3)SC2=N1)NS(=O)(=O)C4=CC=C(S4)Cl 1 3.723 3 2 -5.06162508217773 2123150 CC1=NN(C2=C1C(=CC(=N2)C3=CC=NC=C3)C(=O)NCC4=CC=CO4)C5=CC=CC=C5 1 3.357 5 2 0 -8.79208743515255 2123132 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)C(=O)C)C3=CC=CC=C3 1 3.779 2 3 -1.9230967995218 2123128 CC1=CSC(=N1)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4 1 3.628 4 1 -6.14139182749337 2123127 CC1=CSC(=N1)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F 1 4.571 4 1 -1.45694591060349 2123122 C1CC(=NC1)NC2=NC=NN2 1 -0.232 5 0 0 -6.98864006279425 2123114 COC1=CC=CC=C1CNC2=NCCC2 1 1.456 2 1 0 -6.21785016172882 2123111 CC1=CC(=NC(=N1)N2C3=C(C(=N2)C)C(=CC(=N3)C4=CC(=CC=C4)Br)C(=O)O)C 1 4.219 5 2 0 -2.07764279288773 2123091 CCN1C2=C(C(=C(S2)C(=O)C3=CC=CC=C3OC)N)C(=O)NC1=O 1 1.838 3 4 0 -8.17653059977823 2123067 CCN1C(=NN=C1SCC(=O)OCC)C2=CC(=CC=C2)Cl 1 3.477 3 2 -8.91344934487545 2123049 C1=CC(=CC=C1C(=O)OCC(=O)NC2=NC=CS2)O 1 1.077 2 4 0 -8.20522555401784 2123041 C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2 1 1.517 3 5 0 -20.1236263339076 2123034 C1CCC(C1)NC(=O)CN2CCC3=CC=CC=C3C2 1 2.44 2 1 -10.7675552328123 2123028 CC1CCN(CC1)CC(=O)NCC2=CC=CO2 1 1.314 2 2 0 -13.8360875227522 2123001 CN1CCCN(CC1)C(=O)CCNC(=O)/C=C/C2=CC=C(C=C2)OC 1 1.023 3 3 0 -10.8675419538039 2122985 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=NCCS2 1 1.859 3 2 0 -13.6666287000118 2122975 C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=NN=C(O3)C4=CC=CC=C4Br 1 3.656 5 2 0 -21.3088414180706 2122972 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F 1 6.017 1 1 2.35918426885536 2122921 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)/C=C/C2=CC=CS2)N 1 1.855 3 5 0 -16.6195475038823 2122858 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC(=C(N=C2)Cl)Cl 1 3.379 1 4 -7.99721211293561 2122848 CC(C)(C)NC(=O)NC(=O)CN1C=C(C=CC1=O)C(F)(F)F 1 0.555 3 3 0 -12.8643405280093 2122847 C1CN(CCN1CC2=CC(=O)N3C(=CSC3=N2)C4=CC=CC=C4)C5=CC=CC=C5 1 3.562 4 1 -1.90611729768557 2122837 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NCC3=CC=CS3 1 2.537 2 3 -16.309613577473 2122833 C1=CC=C(C=C1)C2=NC(=CS2)CSC3=NN=C(N3N)C4=CC=CS4 1 3.843 5 0 -4.560051829504 2122819 COC1=C(C=C(C=C1)/C=C/C(=O)NNC2=C(C(=CC(=C2F)F)F)F)OC 1 3.893 2 3 -6.18369908471923 2122817 C1=CC(=CC(=C1)Cl)CNC(=O)C2=CC=C(C=C2)NC(=O)CC#N 1 2.466 3 2 -13.7299904201217 2122807 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)N3CC(=O)NC4=CC=CC=C43 1 0.803 3 7 0 -30.7331277570067 2122745 COC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32 1 1.785 2 5 0 -12.783431745072 2122744 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)N2CCC3=CC=CC=C32 1 2.359 2 4 -17.8049690502049 2122730 CC(C)CCNC(=O)COC(=O)C1=CC=C(O1)Br 1 2.288 1 4 -16.3851326987603 2122711 CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O 1 3.988 2 4 -7.40040034609111 2122685 C1CC(C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 0.904 2 5 0 -15.7422425154972 2122683 CC(C)[C@@H](C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)C3=CC=CC=C3Cl 1 3.803 2 7 0 -17.8753222634992 2122677 CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 3.688 2 3 -9.45787369862639 2122665 COC1=C(C=C(C=C1)C(=O)NN=CC2=C(N=C(S2)N3CCOCC3)C4=CC=CC=C4)OC 1 3.116 4 4 0 -6.20783163761605 2122644 CC1=C(NC(=C1C(=O)C)C)C(=O)COC2=CC=C(C=C2)C#N 1 2.705 2 3 -8.21335639570977 2122620 CCOC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=NC(=O)C4=CC=CC=C4N3 1 3.147 5 2 0 -12.2708058413152 2122608 CC1=C(C=CC(=C1)OCC(=O)NC2=NC(=C(S2)C(=O)C)C)C(C)C 1 3.441 2 3 -9.5655859838184 2122588 C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.208 2 4 -8.95507046081649 2122583 CC1=C(N=C(S1)NC(=O)C2=NN(C(=O)C=C2)C)C3=CC=CC=C3 1 1.999 4 2 0 -6.70078632028154 2122582 C1=CC(=C(C=C1/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=NC=C5)Cl)Cl 1 3.799 4 5 0 -11.3978604096557 2122573 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl 1 3.379 3 4 0 -11.2109491647273 2122530 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 3.391 2 6 0 -22.0054199816242 2122512 C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)/C=C/C3=CC=CO3 1 3.181 3 4 0 -18.6934660454206 2122510 CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)N)CC3=CC=C(C=C3)Cl 1 2.75 3 3 -11.2530767712297 2122509 C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)C3=CC=CC=C3NC(=O)C4=CC=CO4 1 3.414 2 5 0 -11.5948334107141 2122482 CC1=NN(C(=C1C=NNC(=O)OC)Cl)C2=CC(=CC=C2)Cl 1 3.294 4 2 0.272989683134357 2122466 CC1=NN(C(=C1C=NNC(=O)C2=CC=CS2)Cl)C3=CC(=CC=C3)Cl 1 4.269 4 1 0.67408862297434 2122444 CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCCN3C(=O)/C(=C/C4=CC=CC=C4)/SC3=O 1 3.666 4 3 0 -14.6429202780971 2122423 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)/C=C/C2=C(C(=CC=C2)OC)OC)C 1 3.597 1 7 0 -10.2148503525348 2122413 C1=CC=C(C=C1)CNC(=O)COC(=O)COC2=CC=CC=C2 1 2.163 1 4 -14.3710812701743 2122407 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CNC4=CC=CC=C43 1 3.911 2 6 0 -14.5092631801718 2122397 C[C@@H](C(=O)OCC(=O)N(C1=CC=CC=C1)C(C)C)NC(=O)N 1 0.923 3 4 0 -14.3131365476192 2122384 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3)Cl 1 3.476 2 5 0 -22.4197357897331 2122383 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4 1 1.813 3 6 0 -16.3588463437098 2122382 C1=CC=C(C=C1)CNC(=O)NC(=O)CSC2=NC3=CC=CC=C3O2 1 2.862 3 3 -9.45818885048047 2122378 C1CN(CCN1C(=O)COC(=O)CCC(=O)C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3 1 1.444 2 6 0 -30.8045130970534 2122375 C1C2=CC(=CC(=C2OCO1)COC(=O)C3=NC4=CC=CC=C4C=C3)[N+](=O)[O-] 1 3.366 2 6 0 -6.99811593276656 2122372 COC1=C(C(=CC=C1)OC)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2 1 2.075 2 6 0 -12.411450724097 2122355 C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)CSC3=NC=CC=N3 1 1.316 4 4 0 -10.4202363923346 2122335 COC1=CC=C(C=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.98 2 6 0 -12.9889461851483 2122333 C1CN(CCN1C(=O)CSC2=NC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 0.963 4 3 0 -23.9013094073172 2122323 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC=C(C=C2)OC)C)C 1 2.513 1 6 0 -9.47611076615649 2122317 CCOC1=C(C=CC=N1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.884 2 5 0 -9.70035905485977 2122298 CC1=C(SC(=N1)NC(=O)COC2=CC=CC=C2)C(=O)C 1 1.761 2 3 0 -8.82438721229289 2122292 CC1=CC(=CC(=C1OCC(=O)NC2=NC(=C(S2)C(=O)C)C)C)Cl 1 3.397 2 3 -7.30340236693472 2122257 C1CN(CCN1CC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4F 1 3.15 3 4 0 -21.9277045028755 2122238 CN1C(=O)C=CC(=N1)C(=O)NC2=C(C=CS2)C(=O)N 1 -0.302 4 3 0 -9.51225410167722 2122236 CC1=C(C=CC(=C1)Cl)OCCCC(=O)NCC2=CC=CS2 1 3.916 1 2 -10.5473408161545 2122224 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NCC3=CC=CS3)C 1 3.016 3 1 -12.749618226883 2122221 CCOC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)C 1 1.899 2 5 0 -13.4611581514424 2122192 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC3=C(C=C2)OCCO3)N 1 1.906 3 5 0 -13.4814039375142 2122189 CCCNC(=S)NCC1=CC=C(C=C1)Cl 1 3.778 2 0 -8.00403291424326 2122162 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC3=C(ON=C3C)C 1 2.502 1 6 0 -18.004799969804 2122157 CN1C(=NN=C1SCC(=O)NCC2=CC=CS2)C3=CC=NC=C3 1 1.641 5 1 0 -17.7134772323875 2122148 C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.749 2 6 0 -21.1558255668211 2122131 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3=NOC(=C3)C)C 1 2.92 3 6 0 -19.601394765449 2122118 CCCN(CC(=O)NC1=C(C=C(C=C1)Br)F)CC(=O)NC2=CC=CC=C2C 1 3.905 3 2 -6.44440291988439 2122108 CC1=CC=C(O1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl 1 3.376 3 4 0 -6.38637374986462 2122107 CCNC(=S)NN=CC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC 1 4.002 3 3 -10.7570070968341 2122105 COCCNC(=S)NN=CC1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.2 4 4 0 -9.74858078779987 2122092 CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 4.148 2 3 -14.0186370473832 2122091 CC1=C(C(=NO1)C)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42 1 4.295 2 3 -11.0297380723164 2122071 CC(C)(C)NC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2 1 0.675 4 4 0 -25.0584722788016 2122050 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC(=CC(=C3)OC)OC 1 3.05 2 3 -7.85341923437294 2122048 CN1C(=O)C=CC(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C 1 1.061 4 4 0 -10.1925024310561 2122018 CC(C)[C@@H](C(=O)NCCC1=C(C=C(C=C1)Cl)Cl)NC(=O)N 1 2.784 3 2 -15.6000471667623 2122002 CC1=CC(=C(C=C1)OC)NC(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 2.161 5 2 0 -12.5092867948739 2121995 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4 1 1.688 4 2 0 -19.1850518276824 2121959 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCSC3=NC4=CC=CC=C4S3 1 3.978 2 3 -15.5209407321604 2121927 COC1=C(C=C(C=C1)C(=O)CN2C(=O)C3(CCCCC3)NC2=O)OC 1 2.196 2 5 0 -10.8023328522234 2121918 CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCOCC3 1 2.563 1 3 -5.55972039394149 2121907 CC(C)(C)NC(=O)NC(=O)CN1CCC(=CC1)C2=CC=CC=C2 1 2.177 3 2 -13.205750556775 2121904 CC1=CC=C(O1)C2=NN(C=C2/C=C/C(=O)OCC(=O)NC3CC3)C4=CC=CC=C4 1 3.416 3 4 0 3.42513000028799 2121896 CC1=CC=C(C=C1)CNC(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 2.185 5 1 -12.6945355084658 2121895 COC1=CC=CC=C1CCC(=O)NC2=NC3=CC=CC=C3N2 1 3.146 3 2 -8.7867599777965 2121893 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)Cl 1 1.458 3 2 0 -9.46286658418156 2121892 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=CC=CC=C3 1 2.793 1 3 -10.0338649583819 2121884 CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)CSC3=NC(=O)C=C(N3)N 1 3.191 4 2 -15.5036704440631 2121880 CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.502 7 2 0 -31.1222495332099 2121875 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 1.523 2 4 0 -8.78087803833494 2121831 C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54 1 3.67 2 3 -22.5263903377922 2121806 CCSC1=NN=C(S1)NC(=O)C2=CC=CC=N2 1 1.798 4 1 0 -16.8002860283746 2121796 CCSC1=NN=C(S1)NC(=O)C2=NC3=CC=CC=C3C=C2 1 3.135 4 1 -16.7161644326608 2121762 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C(S3)NC4=CC=CC=C4 1 2.029 6 2 0 -24.8553659989524 2121758 CC(C)CNC(=O)COC1=NC=NC2=CC=CC=C21 1 2.162 3 2 -6.83194203883892 2121754 C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=CC=C(S3)Cl 1 4.097 2 1 0.796064680866451 2121746 C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4 1 1.308 3 5 0 -22.1869887408293 2121692 C1COCCN1CCNC(=O)C2=C(C=C(C=C2)Cl)O 1 1.286 2 3 0 -3.71822760746891 2121679 COC1=CC=CC=C1NC(=O)N(C2CCCC2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N 1 2.547 5 4 0 -8.65422083341976 2121675 C1=CC(=C(C=C1NC(=O)OCCNC(=O)C2=CC=NC=C2)Cl)Cl 1 2.628 3 3 -7.86350686411767 2121674 CCN1C(=NN=C1SC(=O)NC2CCCCC2)C3=CC=CS3 1 4.348 4 1 -8.82187642689572 2121670 CCCCNC(=O)NC1=CC(=CNC1=O)C(F)(F)F 1 0.727 3 2 0 -11.6463736233785 2121660 COC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 2.329 2 6 0 -14.9467989469277 2121658 COC1=CC=C(C=C1)CC2=NNC(=S)N2NC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.19 5 2 0 -6.20692342934742 2121596 C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=CS3)N 1 3.035 1 2 1.41086095350747 2121598 CC1=CC(=C(C=C1)C)SCC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2 1 4.053 2 3 -13.6148640784703 2121637 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F 1 2.902 2 3 -9.10165973408808 2121635 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NO2)C(C)(C)C 1 2.929 2 5 0 -9.60838525307908 2121629 CC1=CC=C(C=C1)NC(=O)NC2=CC(=CNC2=O)C(F)(F)F 1 1.462 3 2 0 -5.02274246624725 2121590 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCCO 1 1.915 2 3 0 -14.1114166083385 2121587 C1=CC=C(C=C1)C(=O)NCC(=O)NCCC2=CC(=C(C=C2)O)O 1 1.518 2 4 0 -7.92702270724163 2121585 CC1=C(C=C(C=C1)C2=NN(C=C2CN(C)C(=O)CCC(=O)O)C3=CC=CC=C3)C 1 4.154 3 3 4.22071474624412 2121583 CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)CCC(=O)O 1 3.846 3 3 4.76468388613737 2121575 CN(CC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)CCC(=O)O 1 3.387 3 3 3.6545622210158 2121569 CN(CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4)C(=O)CCC(=O)O 1 3.776 3 4 0 5.99010502779696 2121567 CN(C)C1=NC(=C(N1C2=CC=C(C=C2)F)Cl)C=C(C#N)C#N 1 2.862 5 0 1.8832826427553 2121566 CCOC(=O)C1=CN(N=C1C2=CC=NC=C2)C3=CC=CC=C3 1 3.057 3 2 4.53938971194793 2121564 CN(C)C1=NC(=C(N1C2=CC=C(C=C2)F)Cl)/C=C(\C#N)/C(=O)NCCOC 1 2.06 5 2 0 -12.7794863876942 2121563 CC1=CC=C(C=C1)C2=NN(C=C2CC(=S)N3CCOCC3)C4=CC=CC=C4 1 5.049 3 1 9.87009544477589 2121562 CC1=NN(C=C1C=NO)C2=CC=CC=C2 1 2.165 3 1 10.2181475144554 2121560 CN(C)C1=NC(=C(N1C2=CC=C(C=C2)F)Cl)/C=C(\C#N)/C(=O)N 1 1.985 5 1 0 -4.38084967772074 2121550 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCC(=O)C2=CC=CS2)N 1 0.151 3 6 0 -23.4267671360323 2121547 C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F 1 2.912 2 5 0 -11.6515341577205 2121475 CCCC1=CC(=O)N=C(N1)SCC2=CC(=C(O2)C)C(=O)OC 1 2.714 2 4 -13.8721083231516 2121469 CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)CSC4=NN=C(S4)N 1 4.337 4 2 -20.2555745792835 2121459 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.795 4 6 0 -21.7724545892832 2121427 C1=CC=C(C(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F)Br 1 3.603 1 3 -10.5784914023251 2121401 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCC3=CC=C(C=C3)F 1 3.481 3 1 -6.86443187960552 2121389 CC(C)[C@@H](C(=O)NC1=CC(=C(C=C1)F)F)NC(=O)C2=CC=CC=C2F 1 3.618 2 2 -18.3278658072278 2121382 C1CC(C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 3.989 1 3 -7.67167164437769 2121371 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)/C=C/C2=CC=C(C=C2)Cl)C)C 1 3.662 1 5 -5.19522996574135 2121356 CC1=CC(=C(C(=C1)Br)NC(=O)CN2CCC(=CC2)C3=CC=CC=C3)Br 1 5.025 2 1 -6.24876845059784 2121353 C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NNC(=N3)N 1 2.081 7 1 0 -16.1015146805445 2121350 CC1=CC(=CC=C1)OCCC(=O)OCC(=O)N2CCC3=CC=CC=C32 1 3.172 1 4 -12.7881079280182 2121343 CCNC(=S)NN=CC1=CC=CC=C1[N+](=O)[O-] 1 2.474 4 2 -8.66244661865715 2121339 C1COC2=C(O1)C=CC(=C2)SCN3C(=O)C4=CC=CC=C4N=N3 1 3.79 3 3 -17.670132467281 2121335 CC1=C(C(=NO1)C)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3C5=CC=CC=C5 1 3.804 5 2 0 -20.6874824141004 2121322 C1=CSC(=C1)CNC(=O)CSC2=NNC(=N2)C3=CC=CS3 1 2.914 4 1 -14.2458843271352 2121321 COC1=CC(=CC(=C1)C(=O)NCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3)OC 1 2.891 2 5 0 -10.435294172431 2121288 CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC=C3O2)C 1 3.916 2 4 -7.819190026263 2121280 COC1=CC=C(C=C1)NC(=O)COC(=O)CC2=C(C=CC=C2Cl)F 1 3.21 1 4 -9.97878431773573 2121277 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.76 3 6 0 -25.2173810131781 2121276 CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)C3=CC4=C(C=C3)OCO4 1 3.623 1 5 -15.6476493740293 2121217 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)N 1 2.876 3 3 -14.5070296557307 2121211 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=COCCO3 1 0.494 2 5 0 -8.01783982388627 2121176 C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)OCC(=O)NCC4=CC5=C(C=C4)OCO5 1 4.259 2 5 0 -13.6400306146304 2121152 CC1=C(N2C=CC=CC2=C1C=O)C(=O)C3=CC=CS3 1 3.557 1 2 -4.20575456133517 2121144 C1CCCC(CC1)NC(=O)COC(=O)/C=C/C2=CC=CC=C2Cl 1 4.191 1 3 -6.74198229413774 2121143 C1=CSC(=C1)CNC(=O)COC(=O)COC2=CC=C(C=C2)Cl 1 2.568 1 4 -13.801254042968 2121140 CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)COC(=O)C4=C(N=CC=C4)Cl 1 2.924 4 4 0 -17.0952053892213 2121136 CN(CCC#N)C(=O)COC(=O)C1=C(N=CC=C1)NC2=CC=CC=C2F 1 2.074 4 3 0 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CCOC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 1 4.878 1 5 -7.68216502604665 2119207 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC(=O)CC3=CC=CC4=CC=CC=C43 1 4.783 1 3 -2.01999271539116 2119181 CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)N 1 2.155 4 4 0 -25.565918953451 2119148 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C(=O)N 1 2.553 4 2 -9.1417588666654 2119125 COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)OC 1 1.461 2 7 0 -15.3574864601325 2119112 CCN(C1=CC=CC=C1)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 3.238 2 5 0 -10.2448123528171 2119104 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NC4=C(C(=C(C(=C4F)F)F)F)F 1 -0.275 5 5 0 -17.447774565588 2119029 CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl 1 4.912 1 4 -5.35593706283741 2119005 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2OC(F)F 1 3.507 2 6 0 -11.8755175320286 2118973 CC(C)(C)NC(=O)COC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 2.936 1 4 -13.6591290105891 2118972 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-6.33579194582942 2118820 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=O)NC3=CC=CC=C3C(C)C 1 3.867 1 6 0 -14.4721774357376 2118800 CCOC(=O)C1=CC=CC=C1NC(=O)C2=NNC(=O)C3=CC=CC=C32 1 1.968 3 4 0 -18.754489816853 2118762 CC1=CSC(=N1)NC2=CC=CC=C2C(F)(F)F 1 2.965 2 0 3.40853689594372 2118663 COC(=O)C1=CC=C(O1)CSCC2=CC=C(O2)C(=O)OC 1 2.619 0 6 -6.17070073388268 2118660 CN(C)S(=O)(=O)C1=CC=CC(=C1)CSCC2=CC(=CC=C2)S(=O)(=O)N(C)C 1 2.196 2 4 -11.2620300244921 2118638 CCC1=CC=C(C=C1)NC(=O)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3CC)N 1 4.112 6 1 0 -9.32298571286313 2118587 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CC=C3)C 1 4.274 2 5 0 -16.5652121007071 2118581 CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)CC(=O)NC2=CC=CC=C2F 1 2.414 3 2 -6.2061395922273 2118575 COC1=C(C=C(C=C1)CCC(=O)NC2=NC=CS2)OC 1 2.07 2 3 -12.7413811403427 2118565 C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CC=C5 1 5.704 4 1 3.22623881972675 2118554 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(CCC4)C=C3 1 2.005 3 4 0 -26.8413192633276 2118550 CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)NC(=O)C2=CC=CC=C2F 1 2.327 3 3 -21.7680849773795 2118549 CC(=O)NC1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 0.991 3 6 0 -21.9086076811032 2118538 CCN(CC(=O)NC1=CC=C(C=C1)OC)CC(=O)NC2=C(C=C(C=C2)Cl)F 1 2.795 3 3 -3.79769081560763 2118503 CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3OC 1 2.989 2 7 0 -25.0137640055693 2118501 COC1=CC(=C(C=C1)OC)C(=O)COC(=O)CNC(=O)C2=CC(=CC(=C2)OC)OC 1 1.935 1 8 0 -18.0887167308328 2118495 CC(C)(C)C1CCC(CC1)C(=O)NC2=CC=CC=C2 1 4.242 1 1 -4.68239513965496 2118471 CC1=CC(=NO1)NC(=O)CON2C3=CC=CC=C3N=N2 1 -0.968 5 3 0 -12.0148368238353 2118449 CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NC4=NN=C(S4)SCC 1 3.469 4 4 0 -16.4034191762418 2118443 CC1=CC(=C(C=C1)C)OCCC(=O)NC2=CC=C(C=C2)C(=O)C 1 3.41 1 3 -8.40385440389603 2118442 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)F 1 0.854 5 6 0 -24.6621256073094 2118427 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCOCC3 1 -0.369 5 4 0 -10.3577054402715 2118416 COC1=C(C=C(C=C1)CC(=O)NC2=CC=CC3=C2C=CC=N3)OC 1 2.802 2 3 -10.8441547581576 2118407 CCC(C)(C)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3 1 2.377 3 4 0 -21.8100156220877 2118406 CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NC4=CC=C(C=C4)OC(F)(F)F 1 4.759 3 3 -13.1835733942266 2118401 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)C(=O)N)OC 1 3.717 3 4 0 -11.8043553163969 2118395 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=C(C=CS3)C(=O)N)C 1 2.058 4 2 -10.5243740105718 2118394 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)COC3=CC=C(C=C3)NC4=CC=CC=C4 1 2.8 4 5 0 -19.7265644418494 2118303 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCOCC3 1 1.907 2 4 0 -6.77396271332485 2118300 COC1=CC=CC=C1NC2=NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4 1 2.46 3 3 6.11185409075305 2118298 CCC1=CC=CC2=C1NC=C2C3=CSC(=N3)N 1 3.263 3 0 5.29838943870707 2118296 CCN(CC(=O)NCC1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)C(C)C 1 2.873 2 3 -21.3906909660754 2118289 C1=CC(=CC=C1C(=O)NCC(=O)OCC(=O)N)Cl 1 0.263 2 4 0 -11.3130436724598 2118241 CCOC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(O3)C(=O)OC 1 3.673 2 4 -7.16964396816463 2118216 CN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=N4 1 2.752 5 4 0 -8.8284916619726 2118189 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC(=CC=C4)Cl)SCC(=O)O 1 2.935 4 5 0 -22.0431713908265 2118184 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=CC=CC3=C2C=CC=N3 1 2.582 3 3 -12.8204274557464 2118171 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCC#N)CC3=CN=CC=C3 1 0.46 4 4 0 -27.6609817433632 2118169 C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=NC=C2 1 1.955 2 3 0 -14.3888465421726 2118160 C1=CC=C2C(=C1)C(=S)N=C(N2)C3=CC=C(C=C3)Br 1 4.141 2 0 -2.94654417723873 2118147 CC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=N3)CC(=O)O 1 3.877 2 2 2.72126449701587 2118143 CCN(CC)CCN1C(=CC(=O)NC1=O)N 1 -0.19 4 2 0 -8.5413129724857 2118134 C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)N=NN3O 1 -0.665 4 5 0 -6.63094932557641 2118130 C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)C(=O)O 1 3.155 1 3 3.74439468831552 2118128 CC1=CC=CC2=C1NC(=S)C=C2C 1 3.556 1 0 -2.88363557773507 2118127 C1=CC=C(C(=C1)C(F)(F)F)N2C=C(C(=N2)C(=O)O)O 1 2.815 2 3 0.889150701674545 2118125 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=NN3O)C(=O)O 1 -0.665 4 5 0 -6.73139558442733 2118109 CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3F)CC(=O)O 1 4.351 1 2 0.640912267079964 2118097 C1CCC(=NCC1)NS(=O)(=O)C2=CC3=C(C=C2)SC(=N3)N 1 1.832 4 2 0 -7.64253592270306 2118094 CC1=CC(=NC2=C1C=CC=C2C(C)C)Cl 1 4.57 1 0 1.08282024832274 2118092 CC(=O)NC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3 1 2.501 4 1 -0.593818091487764 2118091 C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CNC(=O)C=C3 1 1.154 2 3 0 -9.09497140475997 2118070 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C 1 2.222 3 5 0 -20.5606969782324 2118066 CC1=NN(C(=C1C=NNC(=O)C2=CC=CC=C2)Cl)CC3=CC=C(C=C3)F 1 3.863 4 1 -6.40670980774467 2118065 CN(C)C1=CC=CC(=C1)C(=O)NN=CC2=CC=CC=C2F 1 3.051 3 1 -7.25390961666508 2118060 CCOC(=O)C1=C(NC(=C1C)C(=O)COC2=CC3=C(C=C2)OCO3)C 1 3.058 1 6 0 -9.17763560874627 2118050 C1=CC=C(C(=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Cl 1 1.817 5 4 0 -19.9283789728885 2118026 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.48 2 5 0 -17.1329367467106 2118015 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.208 2 5 0 -7.31918933821698 2118012 CC1=CC=CC=C1CN(C)CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 4.586 2 2 -6.11067527392656 2118006 CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=CC=C(C=C2)F 1 3.693 2 2 -17.1709032018673 2117998 C1=CC(=CC=C1C(=O)NCCC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.022 3 4 0 -13.4576492206171 2117984 CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4 1 2.825 3 4 0 -13.0796589073586 2117982 C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NC3=CC=C(C=C3)C(=O)N 1 2.46 3 2 -6.12230310687522 2117969 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 3.677 2 4 -13.6372610993124 2117968 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)NCC4=CC=CC=C4 1 2.505 3 4 0 -21.9101338021218 2117945 CCCNC(=O)COC(=O)C1=NNC2=CC=CC=C21 1 1.69 3 3 0 -20.5421555189032 2117922 COC1=CC=CC=C1CNC(=O)COC(=O)C2=NNC3=CC=CC=C32 1 2.384 3 4 0 -21.3719457174744 2117919 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3F 1 3.204 2 6 0 -19.0133812579629 2117899 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)COC4=CC=CC=C4 1 4.031 2 3 -5.64360341810413 2117898 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2OC)S(=O)(=O)N3CCOCC3 1 1.854 2 6 0 -21.1635147290087 2117890 CC1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O)OC)C 1 4.186 2 4 -8.39894605247875 2117885 C1COCCN1C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=CO3 1 1.167 3 4 0 -12.9802680351108 2117865 C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)Br 1 5.316 1 2 -5.6320328518188 2117859 C1=CSC(=N1)NC(=O)C2=CC(=CN=C2)Br 1 1.209 3 1 0 -5.79325011056462 2117827 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)C)C 1 2.004 5 1 -14.3419307508902 2117824 C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3F 1 5.28 1 1 0.826555310502247 2117817 CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)OCC)NC(=O)OCC2=CC=CC=C2 1 4.352 2 4 -17.2862420762361 2117785 CC1=C(OC2=CC=CC=C12)C(=O)NC3=NC4=CC=CC=C4N3 1 3.753 3 2 5.03931048131323 2117770 CC(C)CNC(=O)COC(=O)C1=NNC2=CC=CC=C21 1 2.009 3 3 -19.4856040151125 2117758 C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N(C(=O)C2=O)CC(=O)NC4=C(C=C(C=C4)F)F 1 3.758 3 3 -0.642085231907271 2117751 CCN(CC(=O)NC1=CC=C(C=C1)OC)CC(=O)NC2=CC=CC(=C2)C#N 1 1.804 4 3 0 -7.38538688442667 2117736 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 3.51 2 5 0 -12.9213776939825 2117733 COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=C(C=C(C=C2)OC)OC 1 2.875 0 7 0 -8.76148512837794 2117726 C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)O 1 3.406 3 4 0 -14.4567057983863 2117718 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)COC2=CC(=C(C=C2)C)C 1 3.249 2 3 -15.6216232261256 2117699 C1CCC(CC1)C(=O)NCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 1 1.253 2 6 0 -14.7048763766886 2117687 COC1=CC=CC=C1NC(=O)NN2CCCCC2 1 1.561 3 2 0 -7.75135791738487 2117680 CCCCNC(=O)NC1=C(C=C(C=C1C)SC#N)C 1 3.721 3 1 -9.30663213121928 2117624 CC1=CC(=C(C=C1)O)C(=O)C2=CC3=C(NC(=O)N(C3)CCC(C)C)N=C2 1 3.523 3 3 -6.30509160438975 2117585 COC1=CC=C(C=C1)C2=NN(C(=C2)NC3=CC=CC=C3NC(=O)C(F)(F)F)CCC#N 1 4.272 5 2 0 -6.3219421045092 2117574 C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)NN)N 1 1.356 3 1 0 -0.907331744460785 2117563 C1CN(CCN1CCC(=O)C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3 1 3.453 2 2 -1.15865128111312 2117534 COC1=CC=CC(=C1)C2=NC(=CS2)C=O 1 2.382 1 2 4.1540778923659 2117533 CC(C)(C)CC1=NOC(=C1)N 1 1.525 2 1 0 -3.16923193620406 2117532 CC(C)C1=NOC(=C1)NC(=O)CCl 1 1.473 2 2 0 -9.72408881312859 2117526 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=C3SCC(=O)O)C4=CC=CC=C4Br 1 3.307 5 3 0 -19.2891260096467 2117508 CC1=CC=C(N1C2=CC=CC=C2N3CCCCC3)C 1 4.076 2 0 -2.1870928370986 2117472 CN1CCN(CC1)C(=O)CCC(=O)C2=CC=C(C=C2)F 1 1.362 2 2 0 -4.18835845012814 2117445 C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=C(N=C3)Cl)Cl 1 4.288 2 1 5.58801181267506e-002 2117442 C1=CC=NC(=C1)CNC(=O)/C=C/C2=CC=CO2 1 1.549 2 2 0 -8.30608780889838 2117428 CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC4=NN=C(O4)C5=CC=C(C=C5)Cl 1 4.816 4 1 -11.2780076853338 2117383 C1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)NC2=S 1 3.678 2 1 -3.45770999758959 2117377 CCNC(=O)COC1=C2C(=CSC2=NC=N1)C3=CC=C(C=C3)F 1 2.767 3 2 -4.90011867747281 2117370 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC 1 3.034 2 4 -9.58792602904034 2117341 CCC1=NN=C(S1)NC(=O)CC2=CNC3=CC=CC=C32 1 2.344 4 1 -14.537843650335 2117340 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl 1 4.864 1 3 -0.54439871048192 2117334 CN1C(=C(C(=O)N(C1=O)CC(=O)NC2=CC(=C(C=C2)Cl)Cl)N3CCCCC3)N 1 1.833 5 3 0 -8.51368508423159 2117332 CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(OC(=C3)C)C 1 3.121 2 2 -4.73824287685396 2117326 C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=C(N=CC=C3)Cl 1 1.819 2 5 0 -13.2457293074921 2117317 CC1=CSC(=N1)NC(=O)CCC2=NC3=CC=CC=C3S2 1 2.454 3 1 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CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=O)COC3=CC=CC=C3C#N 1 3.29 3 4 0 -2.14604268540735 2116209 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C=C(C=N3)C(=O)C4=CC(=CC(=C4O)Cl)Cl 1 3.223 3 6 0 -13.0975470586114 2116208 CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=O)C3=CC(=C(C=C3)OC)OC 1 3.543 2 5 0 -2.9302118478189 2116207 C1=CC=C(C(=C1)OCC(=O)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)F)O)F 1 3.336 2 4 -0.200344974276893 2116206 C1=CC=C(C(=C1)C(=O)C2=CN(N=C2)C(=O)COC3=CC=C(C=C3)Cl)O 1 3.59 2 4 1.16699540892655 2116204 CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=O)COC3=CC=C(C=C3)Cl 1 4.076 2 4 2.19988039339797 2116196 C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)NCC3=CC=CC=C3F)N 1 1.582 4 2 0 -4.97185106908885 2116195 COC1=CC=CC=C1OCC(=O)N2C=C(C=N2)C(=O)C3=CC(=CC(=C3O)Cl)Cl 1 4.238 2 5 0 -1.91441766331271 2116191 CC(=O)N1CCN(CC1)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 1.311 3 2 0 -2.12936268060416 2116187 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)NC3=C(C=C(C=C3)F)F 1 3.878 3 1 0.845032664371679 2116167 CC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl 1 3.199 2 3 -8.5996414188847 2116164 C1=CC(=CC(=C1)Cl)NC(=O)NC2=C(C=C(C=C2)Br)F 1 4.141 2 1 0.947982836080983 2116133 COC1=CC=CC(=C1)COC2=C3C=CSC3=NC=N2 1 3.202 2 2 -1.23279757215424 2116125 CN(C)C1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CC3=CC=CC=C3 1 3.21 4 1 -15.5437490409777 2116123 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC=C(C=C3)N4C=NN=N4 1 2.123 6 1 0 -21.6696127631975 2116120 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(ON=C3C)C)CC4=CC=CC=C4 1 4.817 4 2 -16.6315293939914 2116105 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NCC3CCCCC3 1 2.967 3 3 -13.103613459588 2116070 CNC(=O)COC1=C(C=C(C=C1)C=O)OC 1 0.616 1 4 0 -13.9643536719823 2116064 COC1=CC=CC=C1N2C=NN=C2SCC(=O)N3CCOCC3 1 0.996 4 3 0 -18.0199593771142 2116020 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)F)F 1 1.643 2 5 0 -17.3216722781569 2116000 CC1=C(C=C(C=C1)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C 1 5.14 1 1 0.874213894492208 2115997 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=CS3 1 2.305 3 3 -15.9398885549373 2115985 CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3)Br 1 5.367 1 1 -1.65229503020146 2115978 COC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 1.981 2 7 0 -17.8736697174876 2115954 C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OCC4=NN=C(O4)C5=CC=CC=C5Br 1 4.023 6 2 0 -3.82384170022255 2115949 C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)COC(=O)/C=C/C3=NC4=CC=CC=C4S3 1 4.84 2 4 -2.43738281103321 2115924 CC1=CC(=CC=C1)OCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.762 2 4 -18.5060582329996 2115920 CC1=CC(=NN1C2=NC(=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)C#N)C 1 3.629 5 1 -9.40371835218346 2115913 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=C(C=CS3)C(=O)N 1 2.227 2 3 -7.42997978445206 2115912 C1=CC=C2C(=C1)C(=O)N(N=N2)COC3=C(C=C(C=C3)Cl)Br 1 4.859 3 2 -12.0224406065499 2115901 CC1=CC=C(C=C1)NC2=NC(=CS2)CSC3=NNC(=N3)N 1 2.642 6 0 1.67282041386868 2115891 C1CC(C1)C(=O)NC2=NC(=C(S2)C3=CC=CO3)C4=CC=CO4 1 3.708 2 3 1.96712273875435 2115888 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)C 1 3.505 3 2 -8.54481559068881 2115887 C1=CC=C(C=C1)CNC(=O)C2=CC(=C(N=C2)Cl)Cl 1 3.009 2 1 -6.98363207795529 2115884 CC1=C(C(=CC=C1)NC(=O)CCOC2=CC=CC=C2)C 1 3.67 1 2 -5.19282218401576 2115877 CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN(C)CC2=CC(=CC=C2)OC)N 1 2.098 5 4 0 -8.2417167661827 2115875 CC1=CC=C(O1)/C=C/C(=O)NCCC2=CNC3=CC=CC=C32 1 3.244 2 2 -9.10848486174922 2115846 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br 1 4.876 1 2 -0.94513540041877 2115841 C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC(=CC(=C3)F)F 1 3.082 3 1 -1.17280785275653 2115839 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC=CC=C2OC 1 2.354 2 3 -9.72470056107477 2115838 COC1=CC=C(C=C1)NC(=O)CCCSC2=CC=CC=C2 1 3.561 1 2 -7.12395868908222 2115825 COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)N3CCCC4=CC=CC=C43 1 2.486 2 8 0 -27.5299381577493 2115807 CN(C)C(=O)COC(=O)C1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)SC(F)F 1 2.934 2 5 0 -12.5448960805873 2115790 CC(C)[C@@H](C(=O)NC1=NCCS1)NC(=O)C2=CC=C(C=C2)F 1 2.695 3 2 -22.7199232175266 2115773 CSC1=CC=CC=C1C(=O)NC2=NC=CS2 1 2.153 2 1 -11.2511266268856 2115754 C1CSC(=N1)NC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F 1 3.875 2 2 -11.046737861366 2115727 CC1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 2.064 2 7 0 -20.4776525812452 2115705 COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)NCC2=CC=CO2 1 1.461 1 7 0 -18.1839900449068 2115701 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 1.461 2 8 0 -15.3027719493825 2115696 COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32)S(=O)(=O)N4CCOCC4 1 0.59 3 8 0 -27.4416856944117 2115689 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2F 1 1.438 2 5 0 -19.0408350887766 2115688 CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 0.248 3 8 0 -35.0723956807211 2115687 CC1=CC(=NO1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC 1 2.137 3 7 0 -26.7736323086037 2115669 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)N 1 3.3 3 5 0 -11.0308625918519 2115666 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)OC)OC 1 2.966 2 8 0 -21.6241873625372 2115665 CC1=CC(=NO1)NC(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)F 1 3.059 4 5 0 -23.7397551436864 2115650 CC1=NN=C(N1C2=CC=CC=C2)SCC3=NN=C(O3)C4=CC=C(C=C4)Cl 1 4.061 5 1 -5.7944688933611 2115638 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC 1 1.422 2 6 0 -17.8905400783395 2115631 COC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC 1 2.016 1 8 0 -16.8397575419833 2115625 CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 1.827 2 6 0 -16.9821619208924 2115623 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)NC(=O)N 1 0.793 3 7 0 -24.499270738592 2115595 C1CN(CCN1C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.145 3 4 0 -17.1673669764691 2115571 COCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)CC3=C(C=CC=C3Cl)Cl)N 1 2.485 4 4 0 -10.5146149294249 2115552 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3=CC4=C(C=C3)C(=O)N5CCCC5=N4 1 2.84 3 4 0 -13.9594566223705 2115542 CCCN1C(=CC(=C1C)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)N)C 1 1.834 3 3 0 -12.111575697069 2115535 CCCN(CC(=O)NC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 3.049 3 4 0 -12.1065120168764 2115525 CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=CC=C2OC 1 1.697 2 6 0 -18.2848699163905 2115521 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)CC(=O)NC2=CC=CC=C2OC 1 2.867 3 3 -9.05849990881749 2115519 CN(CC(=O)NC1=CC=C(C=C1)F)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.414 3 2 -5.24349659858637 2115463 CC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3N=N2 1 2.961 4 2 -25.5536327987608 2115462 CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 2.948 2 4 -15.4284821129863 2115451 CCOC(=O)NC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3CC3 1 2.103 4 4 0 -15.9116704370423 2115448 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC 1 2.707 1 7 0 -26.6013553139134 2115414 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)CC3=CC(=C(C=C3)Cl)Cl 1 4.164 2 1 -4.44442577574463 2115409 COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3Cl)OC)OC 1 4.504 1 7 0 -17.8049919473145 2115372 C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)CC3=CC=CS3 1 2.318 2 2 -14.6339599950775 2115361 COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NC4=CC(=CC=C4)OC 1 3.197 2 5 0 -5.71179694234895 2115338 CC1=CC(=NN1C2=NC(=C(C=C2)Cl)C(=O)NC3=CC(=CC(=C3)Cl)Cl)C 1 5.079 4 1 -7.31656500516437 2115313 C1=CC=C(C=C1)SCCCC(=O)NC2=NC(=C(S2)C3=CC=CO3)C4=CC=CO4 1 5.121 2 3 -5.19474162537595 2115268 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=NN=C(O3)C4=CC=CC=C4Br 1 2.389 3 4 0 -3.96738405859635 2115266 CCOC1=CC=CC=C1NC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2 1 0.89 4 3 0 -3.46301186028829 2115251 CCOC(=O)/C=C/1\SCC(=O)N1CC(O)CN2/C(=C/C(=O)OCC)/SCC2=O 1 0.694 2 7 0 -8.59023688905989 2115242 CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)CCl 1 1.969 1 3 0 -16.9540068679314 2115228 C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N 1 2.857 2 2 -8.35457610923324 2115217 CCCOC1=C(C=C(C=C1Cl)C=NO)OCC 1 3.509 1 3 -0.437572070388921 2115186 C1=CC=C2C(=C1)N=C(S2)NNC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.862 4 1 2.24013249910112 2115182 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCCC2=CC=CC=C2 1 2.707 1 4 -8.73583238758032 2115176 CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NOC(=C3)C 1 3.21 3 2 -8.39363959696734 2115167 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCOCC4 1 3.493 3 4 0 -5.75889050859132 2115140 CN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.247 3 2 -9.20974672454823 2115083 CCC1=CC=CC=C1NC(=O)CNCC(=O)NC2=CC=CC=C2CC 1 2.941 3 2 -6.86208529327937 2115079 CC1=CC(=C(N1CC(F)(F)F)C)C(=O)CC#N 1 2.227 2 1 -9.1698805242754 2115030 C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=CS3 1 3.818 1 2 -2.58715265139322 2115027 CN(CC(=O)NC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2Cl 1 2.257 3 2 -5.56793378123284 2115017 CCCCC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC=CC=C2Cl 1 4.112 3 2 -6.06600721255165 2115012 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=C(ON=C2C)C)N 1 -3.e-003 4 6 0 -20.8873131263326 2114994 CCCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)F 1 2.296 3 6 0 -16.9756483926239 2114986 CN(C)C(=O)COC(=O)C1=CC(=CC=C1)CN2C(=O)C3=CC=CC=C3C2=O 1 1.567 2 5 0 -9.90282598081176 2114967 COC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC(=O)NC3=CC=C(C=C3)C#N)C4=CC=CC=C4 1 4.825 4 4 0 3.60093690877814 2114917 CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC 1 3.786 3 3 -0.853309121322615 2114899 CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC3=CC=CC=C3 1 3.283 3 1 -12.9518500247825 2114896 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)NC4=C(C=CC=C4F)F 1 2.291 3 5 0 -22.3874967108042 2114872 C1=CC=NC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)F 1 2.723 3 1 -3.33927887690085 2114858 C1=CC=NC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)F 1 3.238 4 1 -16.5093226255436 2114856 CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=CC=C2F 1 2.583 2 2 -10.50596157525 2114850 COC1=CC(=C(C=C1)NC(=O)CCC2=NC3=CC=CC=C3S2)OC 1 3.142 2 3 -10.2870176118562 2114820 CC1=CN=C(S1)NC(=O)CC2=CNC3=CC=CC=C32 1 2.085 3 1 -6.86994712644831 2114814 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)OCCO3 1 2.143 2 4 -8.01885152660614 2114800 COC1=CC=C(C=C1)CC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2 1 3.16 3 2 -10.0822842588009 2114781 CCCNC(=O)CN(CC1=CC=CO1)S(=O)(=O)C2=CC=C(C=C2)OCC 1 1.977 2 5 0 -22.5839125064874 2114776 CCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)NCC(F)(F)F 1 2.111 2 5 0 -23.1332105631816 2114768 CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 3.338 4 2 -18.1438257347575 2114737 C1=C(SC(=C1)Cl)C(=O)COC(=O)CN2C=NN=N2 1 0.515 4 3 0 -17.0638309916558 2114735 C1CCC(C1)CC(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.626 2 3 -7.61257287754378 2114733 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NN=C4N3C5=CC=CC=C5S4 1 4.329 8 0 0 -7.89443696117118 2114718 CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3N2 1 3.892 3 1 -8.27718842852793 2114714 CC1=CC(=C(N1CCC2=CC=C(C=C2)Cl)C)C(=O)COC(=O)CNC3=NS(=O)(=O)C4=CC=CC=C43 1 3.742 3 5 0 -16.5321715371111 2114711 CC1=CC(=C(C=C1)C)S(=O)(=O)N(CC(=O)NC2=NOC(=C2)C)C3=CC=C(C=C3)OC 1 3.254 3 5 0 -22.379521776479 2114704 COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)F)S(=O)(=O)N3CCCC3 1 3.046 2 4 -16.3479076347725 2114703 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-] 1 3.813 3 5 0 -5.68948826191088 2114697 C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)NCCC3=C(C=C(C=C3)Cl)Cl 1 4.125 4 2 -24.5159575721813 2114665 C1CSC(=N1)NC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl 1 4.069 2 1 -12.0029570498464 2114663 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NC(=CS3)C4=C(C=CC(=C4)F)F 1 4.516 3 2 -4.34544736589708 2114647 CC1=C(C=C2C(=C1)OC=C2CC(=O)NC3=NCCS3)C(C)C 1 4.121 2 2 -12.2266558046143 2114635 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(C3=C(C2=O)C=CC(=N3)C)CC 1 3.059 3 4 0 -10.7847594115648 2114626 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCCOC2=CC=CC=C2 1 3.4 2 4 -9.18672229202006 2114625 C1=CSC(=C1)C(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.228 2 4 0 -15.445338311067 2114594 C1CSC(=N1)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4 1 4.567 4 1 -6.14929866458812 2114582 COC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC=C(C=C2)F 1 1.566 2 4 0 -9.57737943074979 2114581 C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCC3=CC=CC=N3 1 0.835 4 2 0 -16.5114392351844 2114579 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=CC=CC=N4 1 2.618 4 2 -11.8235694551065 2114548 CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCOC2=CC=CC=C2 1 3.426 1 4 -10.2960250366887 2114546 CC(=O)C1=CC=C(C=C1)OCCCC(=O)NNC(=O)C2=CC(=CC(=C2)OC)OC 1 1.983 2 6 0 -16.5218163169006 2114543 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSCC3=NC4=CC=CC=C4N3 1 3.188 4 1 -4.97322902943742 2114525 C1COCCN1C(=O)COC(=O)C2=CC=CNC2=O 1 -1.555 2 5 0 -15.8609766469121 2114519 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=CC=C4)C 1 4.446 2 2 1.47138552943321 2114516 CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC 1 3.822 4 4 0 -28.0086740383592 2114513 CCC(CC)C1=NN=C(S1)NC(=O)C2=C(N=CC=C2)OCC 1 3.112 4 2 -15.012636116754 2114506 CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.334 3 6 0 -27.3837941736965 2114452 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)C 1 2.124 2 5 0 -17.6436699150463 2114458 C1CN(CCN1C(=O)C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=CC=C3 1 2.77 2 3 -18.9318239184945 2114498 C1=CC(=CC=C1NC(=O)C2=CNC(=O)C=C2)S(=O)(=O)NC3=NC=CS3 1 -9.5e-002 4 4 0 -14.1778289707388 2114488 CC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2N3CCCCC3 1 4.015 2 2 -5.40286328296886 2114469 CC(C)(C)C(=O)NC1=C(C2=C(S1)CCCC2)C3=NC4=CC=CC=C4N3 1 5.107 3 1 -14.3419475328443 2114463 CC(=O)NCCC(=O)NC1=NC(=CS1)C2=CC=CC=C2Cl 1 1.866 3 2 0 -6.81722843032209 2114420 CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.549 3 4 0 -25.3889779193865 2114415 C1COC2=C(O1)C=CC(=C2)NC(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F 1 3.208 1 6 0 -10.2650393486232 2114410 C1=CC=C2C(=C1)C(=O)N(N=N2)COC3=CC(=CC=C3)Cl 1 4.111 3 2 -14.0435832711384 2114403 C1CC1C2=NN=C(S2)NC(=O)C3=CC=CC=N3 1 1.385 4 1 0 -10.7907607192759 2114391 C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=CO3 1 4.264 1 2 -3.22245367040886 2114384 C1CC2=C(C1)C=C3C(=C2)C(=CO3)CC(=O)OCC(=O)N 1 1.934 1 4 0 -9.15692031134603 2114383 CC(C)SC1=NN=C(S1)NC2=CC=CC=C2 1 3.026 3 0 -4.62749822943079 2114369 CCN(CC(=O)NC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC=CC=C2C(F)(F)F 1 2.851 3 4 0 -11.8508346233793 2114364 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCOC3=CC=CC=C3 1 2.276 2 4 -20.0861350341072 2114357 CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC3=C(C=C(C=C3)Cl)Cl 1 3.289 4 4 0 -7.40540636314428 2114353 CC(=O)NCCC(=O)NC1=NC2=C(S1)C=CC3=CC=CC=C32 1 1.792 3 2 0 -9.49855764819041 2114344 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCNC(=O)C3=CC=CO3 1 2.748 3 3 -7.46278510903525 2114331 CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC(=CC(=C2)OC)OC)Cl 1 2.792 2 4 -13.1732006813885 2114326 CCCSC1=NN=C(S1)NC2=CC=CC=C2C 1 3.659 3 0 -8.10662251700086 2114311 CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3F)SCC4=NN=C(O4)C5=CC=CC=C5 1 5.598 5 2 0 -7.20457071488019 2114308 CN(CC1=CC=C(C=C1)OC(F)F)CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br 1 4.721 3 2 5.88367931644571 2114295 CC1=C(C=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC(=CC=C2)OC)[N+](=O)[O-] 1 1.957 4 5 0 -7.52889957131202 2114277 CC1=NN=C(S1)SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C 1 3.922 5 1 -18.5286523049468 2114264 CN(CC1=C(C(=C(C=C1)OC)OC)OC)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC 1 2.336 3 6 0 -4.00738964320778 2114251 CN1CC(=O)N(C1=O)CC(=O)NC2=C(C=C(C=C2)Br)F 1 0.841 3 3 0 -8.98400474938027 2114212 C1=CC=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3N=N2 1 2.796 4 2 -25.9453071886871 2114208 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CN(CC2=CC=CO2)S(=O)(=O)C3=CC=CS3 1 3.077 2 4 -17.1484849833949 2114184 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CC3=CC=CS3 1 3.514 2 3 -6.15491363179149 2114183 C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=CC=C3F 1 3.671 2 1 -7.67895937401253 2114182 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)/C=C/C3=CC=C(O3)Br 1 4.664 1 2 -10.5451762983212 2114156 CCSC1=NN=C(S1)NC2=CC=CC=C2 1 2.649 3 0 -6.96659433676101 2114155 CN1C(=NN=C1SCCOC2=CC(=CC=C2)Cl)C3=CC=NC=C3 1 3.554 4 1 -1.85608228710853 2114150 CN(CC1=CC=C(C=C1)F)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC 1 2.591 3 3 -2.71956624496867 2114133 CN(CC1=CC(=O)N2C=CSC2=N1)CC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F 1 2.428 4 2 -16.5880082490866 2114096 CCOC1=C(C=C(C=C1)NC(=O)CN(C)CC(=O)NC2=C(C(=C(C=C2)F)F)F)OCC 1 2.874 3 4 0 -12.023323648168 2114094 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)CC(=O)NC3=NOC(=C3)C 1 0.866 4 5 0 -19.3844540255004 2114092 CC1=CC(=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C 1 2.415 4 3 0 -9.09424916556733 2114071 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC3=CC=CC=C3F 1 2.919 3 2 -6.52219722059204 2114042 C1=CC=C(C=C1)CSCC(=O)NNC2=C(C(=CC(=C2F)F)F)F 1 3.859 2 1 -7.70004401231959 2114013 C1=CC(=CC=C1N2C=C(C(=N2)C(=O)NN)O)Cl 1 1.417 4 2 0 5.95100969530521 2114010 CCC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N 1 2.437 3 1 -6.37045369197714 2114008 CC1=C(C=CC=C1N)N2C=NN=N2 1 0.456 5 0 0 -11.0244026344193 2113993 C1=CC(=CC=C1N2C(=CNC2=S)C(=O)O)F 1 2.152 2 2 -3.90763351892972 2113979 CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)CC(=O)O 1 4.146 1 2 1.58695636642439 2113977 CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=O)Cl 1 3.05 2 1 -1.84226031851637 2113967 CC1=C(C=C2C(=C1)C(=CO2)CC(=O)O)C 1 2.77 0 3 -2.78556090567017 2113959 CCCCN1C(=O)C=C(N1)C2=CC=CC=C2 1 1.999 2 1 0 1.25154405905722 2113944 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4)N 1 1.874 6 5 0 -25.0888904957925 2113938 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 2.987 2 5 0 -14.5330710141819 2113904 C1=CC=C2C(=C1)NC3=C(C(=CC(=O)N23)CSCC(=O)O)C#N 1 1.524 3 3 0 -13.8471083761539 2113901 CC1=C(C2=C(C=C1)C(=CO2)CC(=O)O)C 1 2.77 0 3 0.154052624925494 2113898 CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3Cl)CC(=O)O 1 4.81 1 2 0.969957016356479 2113888 C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)O 1 2.96 0 3 -0.343255587978427 2113884 CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)O 1 2.709 2 2 -0.470207831012863 2113808 CC1=CC(=C(C=C1)C)C(=O)CN2C(=O)CCC2=O 1 1.641 1 3 0 -8.60093043359798 2113807 C1=CC(=CC=C1C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=CN=C3)Br)F 1 3.069 3 3 -4.3210296334887 2113786 CC1=CC=C(O1)C2=NN(C=C2/C=C/C(=O)OCC(=O)NC)C3=CC=CC=C3 1 2.927 3 4 0 4.57426228410659 2113767 CCN(CC(=O)NC1=CC(=CC=C1)OC)CC(=O)NC2=CC(=C(C=C2)Br)C 1 3.159 3 3 -5.03722968839665 2113751 CCCN(CC(=O)NC1=CC=C(C=C1)C(=O)N)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.084 4 3 0 -10.8442280997507 2113722 CC1=C(C(=NO1)C)C(=O)OCC(=O)NC2=C(C=CC=C2F)F 1 1.615 2 4 0 -13.6996425264713 2113711 C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)NC(=O)N 1 0.749 3 6 0 -2.63429399622034 2113703 CC1=CC(=C(C=C1C(=O)CSC2=NN=C(O2)C3=CC=CC=C3Br)C)C 1 5.675 2 2 -6.20339653201621 2113670 CN(CC(=O)NC1=CC(=C(C(=C1)OC)OC)OC)CC(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.191 3 6 0 -10.2509763541204 2113664 CCC1=CC2=C(S1)N=CN=C2SCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N 1 4.843 5 1 -9.89603852556041 2113651 C1CN(CC(=O)N1)CC(=O)NC2=CC=C(C=C2)Cl 1 0.499 3 2 0 -14.8208660865505 2113638 C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NCCS3)Cl 1 4.077 3 3 -23.7257297603293 2113607 CC1=C(C=CO1)C2=NN=C(O2)SCC(=O)NCCC3=CC=CC=C3 1 2.426 3 3 -18.4925036577236 2113597 CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)CC(=O)NC2=NOC(=C2)C 1 2.022 4 3 0 -15.7042310690132 2113511 CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=O)CCC3=O 1 1.843 2 3 0 -14.953662643108 2113502 COC1=C(C=CC(=C1)C=NOCC(=O)NC2=CC=C(C=C2)OC(F)F)OCC3=CC=CC=C3 1 4.688 2 5 0 -4.73176272184998 2113492 C1CN(CCN1C(=O)/C=C/C(=O)O)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 1.349 2 5 0 -14.4419209634069 2113488 C1CN(CCN1C(=O)/C=C/C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl 1 2.014 2 5 0 -12.6508121029296 2113483 CC1=CC=C(C=C1)C(=O)NCC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.777 2 2 -10.8706228283505 2113479 CC1=CC(=NC2=NC(=NN12)SCC3=CC=CC=C3C(=O)O)C 1 3.082 4 2 -13.4240880028386 2113471 CN1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2CC#N 1 0.729 5 1 0 -3.07612700890901 2113466 C1=CC(=CC(=C1)Cl)C(=O)NCC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.955 2 2 -8.39770938420579 2113451 CC1=CC(=NN1)NC2=C(C=C(C=N2)Cl)Cl 1 2.588 4 0 2.59731115497161 2113354 CC1=C(SC(=N1)N2CCOCC2)C(=O)NN 1 -0.859 4 2 0 -5.49345159793116 2113346 C1=CC(=C(C=C1F)C(=O)C2=CN(C(=O)C(=C2)C#N)C3=NC=CS3)O 1 1.622 3 3 0 -3.96870035541135 2113340 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5)F)C(=O)O 1 2.243 3 7 0 -17.7075077102599 2113324 C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=C(C(=C3)C(=O)O)Cl 1 2.2 2 4 -6.29409892499843 2113303 CC1=NC2=CC=CC=C2C(=C1CC(=O)O)C3=CC=CC=C3 1 3.481 1 2 -1.5468517747902 2113290 CC1=NN(C(=C1C(=O)O)Cl)CC2=C(C=CC=C2Cl)Cl 1 3.763 2 2 -5.80436829660272 2113270 CCN(CC(=O)NC(C)(C)C)C(=O)CCl 1 0.452 2 2 0 -16.7703327534155 2113261 CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)O)C 1 2.685 2 2 -13.4131333496996 2113258 CNCCCC1=C(C(=NN1)N)C#N 1 0.13 5 0 0 -4.0874569861734 2113246 CC1=NN(C(=C1C(=O)O)Cl)CC2=C(C=C(C=C2)Cl)Cl 1 3.763 2 2 -2.84357060946061 2113244 C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)N 1 2.006 4 0 -1.39871851292792 2113232 CC(C)(C)NC(=O)C1=CC(=C(C=C1Cl)F)F 1 3.044 1 1 -8.07763717222881 2113223 C1CN(CCN1C(=O)CN2C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4 1 1.401 4 3 0 -24.9451494500896 2113218 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CO4 1 3.197 3 5 0 -9.95279945232824 2113210 C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl 1 4.064 3 5 0 -6.03823812626585 2113197 COC1=CC=CC(=C1OC)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.333 1 6 0 -10.5344010467721 2113193 C1COCCN1C2=CC=C(C=C2)NC(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F 1 3.272 2 5 0 -6.75551867522445 2113180 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NNC(=N3)C4=CC=CS4 1 3.904 4 1 -11.0763797871627 2113176 CC1=CC2=C(C=C1)N=C(N2)SCC3=NC(=O)C4=CC=CC=C4N3 1 3.43 4 1 -4.99955737745084 2113144 CNC(=O)COC(=O)/C=C/C1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4 1 3.172 3 5 0 1.68885156212604 2113130 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)C(F)(F)F 1 2.096 3 3 -3.34857588702936 2113128 CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NN=C(S2)NCC3=CC=CC=C3)C4=CC=CC=C4 1 5.123 6 1 0 -17.655650755082 2113126 CC1=C(SC2=NC(=NC(=C12)NCCC3=CC=CC=C3)CN4CCOCC4)C 1 3.645 4 1 -3.46999429123544 2113124 C1COCCN1C(=O)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl 1 1.992 5 2 0 -12.9973870846187 2113123 CCOC1=C(C=CC=N1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C 1 3.018 2 5 0 -16.10963536743 2113108 CCOC1=CC=CC=C1N2CCN(CC2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.214 4 2 -9.16303610576085 2113094 C1COCCN1C2=NC(=C(S2)C=NNC(=S)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4 1 5.493 5 1 2.65205192263585 2113077 CC1=CC=C(C=C1)C2=CC(=NC(=C2)N)C3=CC=CC=C3 1 4.423 2 0 5.21763242143002 2113032 CN(CC1=CC(=C(C=C1)OC(F)F)OC)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F 1 4.15 3 3 0.858781952575701 2113030 CCOC1=C(C=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC=CC=C2C#N)OCC 1 2.136 4 4 0 -14.372994800284 2113028 COC(=O)C1=CC=C(O1)CSC2=NN=NN2C3=CC=CC=C3 1 2.712 4 3 0 -19.3872533785595 2112998 CCSC1=NN=C(S1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2F 1 3.113 4 2 -26.3971375879919 2112990 COC1=CC=C(C=C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NCCS4 1 4.363 3 4 0 -21.7025522825641 2112987 CCCN(CC(=O)NC1=CC=C(C=C1)C(=O)N)CC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.796 4 3 0 -8.82334388891723 2112970 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2N3CCOCC3 1 0.553 4 5 0 -15.3109340442085 2112966 CC1=CC(=CC=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 3.179 1 5 -14.3250796041793 2112945 CN(CC1=CC=C(C=C1)OCC=C)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F 1 3.961 3 2 -2.59983886490595 2112940 C[C@@H](C(=O)OCC(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=CC=C3 1 1.134 3 8 0 -18.8281413194171 2112939 C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)OCC(=O)N 1 0.423 3 6 0 -22.0534467216879 2112934 C1=CSC(=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NNC(=N4)N 1 2.221 6 1 0 -8.10855990040226 2112915 CCN(CC(=O)NC1=CC=C(C=C1)C(=O)C)CC(=O)NC2=CC(=CC=C2)OC 1 1.665 3 4 0 -8.84290079007944 2112878 CN1CC(=O)N(C1=O)CC(=O)NC2=CC=C(C=C2)SC(F)F 1 1.251 3 3 0 -11.4955502299641 2112872 CC1=C(C(=C(C=C1)Cl)NC(=O)CN2CCNC(=O)C2)Cl 1 1.649 3 2 0 -15.1674813050642 2112863 CCOC1=C(C=C(C=C1)NC(=O)CN(C)CC(=O)NC2=C(C(=CC=C2)Cl)C)OCC 1 3.408 3 4 0 -10.579019982644 2112850 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NNC(=N3)N 1 0.852 5 3 0 -10.6416867988067 2112840 COC1=C(C=C(C=C1)C(=O)NCC(=O)NCCC2=CNC3=CC=CC=C32)OC 1 2.263 3 4 0 -20.9998429964461 2112833 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)COC3=CC=C(C=C3)N4C=NN=N4 1 3.107 5 3 0 -16.8363285115825 2112828 C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)NCC3=CC=CO3 1 1.657 4 3 0 -27.8045136998281 2112813 C1COCCN1C2=CC=CC=C2NC(=O)CNC(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 1.913 4 4 0 -12.1526824878689 2112806 CCC(=O)OCC(=O)C1=C(N(C(=O)N(C1=O)C)CC2=CC=CC=C2)N 1 0.828 3 5 0 -13.5936711922595 2112794 C1CC1NC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3 1 3.781 2 1 -3.18163808732377 2112791 C1CCC(CC1)NC(=O)CNC(=O)COC2=CC=CC=C2 1 1.791 2 3 0 -13.0467820182861 2112651 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=NC=C2)N 1 0.283 4 5 0 -17.8446717948033 2112640 C=CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4CCCCC4 1 5.12 6 1 0 -24.1436519481586 2112635 CC1=C(SC2=NC(=NC(=C12)NCC3=CC=C(C=C3)S(=O)(=O)N)C)C 1 2.336 4 2 -8.57040859277546 2112634 CC(=O)C1=CC=C(C=C1)OC(=O)NC2=CC=CC=C2OC 1 2.893 1 4 -8.81232787948745 2112542 CC1=NN(C(=C1/C=C/C(=O)OCC(=O)N2CCCC2=O)Cl)CC3=CC=CC=C3 1 2.433 3 4 0 -13.0997887717927 2112567 CC(C)C(=O)OCC(=O)NCC1=CC=CC=C1Cl 1 2.458 1 3 -14.0827300725916 2112511 C[C@@H](C(=O)OCC(=O)NC1=C(C=CC=C1C(C)C)C(C)C)NC(=O)N 1 2.379 3 4 0 -12.8147462595267 2112496 CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)COC(=O)C4=CC=CS4 1 3.154 3 4 0 -19.9438048196665 2112476 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CC2 1 1.293 2 6 0 -14.8577666528415 2112473 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)Cl 1 1.058 3 5 0 -19.19929883325 2112466 CC1=CC(=NO1)NC(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl 1 2.435 4 4 0 -21.4586134898752 2112458 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)Cl 1 5.327 2 3 -2.85773210867883 2112419 CC1=NC2=C(C(=NN2CCC3=NNN=N3)C)C(=C1)C(F)(F)F 1 1.804 7 0 0 -3.62108719862223 2112404 C1CC(=NC1)NC2=CC=C(C=C2)C(F)(F)F 1 2.408 2 0 0.364609764470354 2112396 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)NC 1 3.728 3 5 0 -9.38398920066709 2112393 CC1=NN(C2=C1C(=CC(=N2)C(F)(F)F)C(F)(F)F)CCC3=NNN=N3 1 2.893 7 0 0 -2.6935482917949 2112380 CCCN1C2=C(C(=CC(=N2)C3=CC=CO3)C(F)(F)F)C(=O)N(C1=O)CCC 1 4.394 3 3 -0.864680332312802 2112373 C1=CC=C(C=C1)CN2C3=C(C(=CC(=N3)C4=CC=CO4)C(F)(F)F)C(=O)NC2=O 1 4.027 3 3 1.54122911158706 2112344 CN(C)CCNC1=NC(=C(S1)Cl)S(=O)(=O)C2=CC=CC=C2 1 2.402 3 2 -8.79127236234203 2112324 CCOC1=CC=CC=C1OCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl 1 3.206 2 5 0 -8.37067062494825 2112302 CCC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=NN2)C 1 2.75 3 2 -10.5274458047295 2112301 C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)NC3=CN=CC=C3 1 3.583 2 1 -5.14486934675764 2112295 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)N4CC(=O)NC5=CC=CC=C54)Cl 1 3.059 3 4 0 -26.1893055451375 2112283 CN1C(=C(C(=O)NC1=O)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)N 1 1.75 5 3 0 -6.57333187758546 2112279 CCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C)OC 1 3.537 3 6 0 -22.8911795437691 2112268 CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)N 1 1.527 5 3 0 -10.5007080520297 2112251 CCOC(=O)C1=CC(=NN1)C2=CC=C(O2)C 1 2.257 2 3 -2.21435770358364 2112247 COCCCNC(=S)NC1=CC=CC2=C1C=CC=N2 1 2.63 3 1 -12.7345226300519 2112189 C1CN(CCN1C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=CO3 1 1.882 3 5 0 -6.39320562927878 2112169 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=CO2 1 0.746 3 3 0 -5.62076714358008 2112149 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=N2 1 1.59 2 4 0 -14.1941389291238 2112147 CC1=CC(=C(O1)C)C(=O)OCC(=O)C2=CC=C(S2)Br 1 2.857 0 4 -10.4065660573768 2112059 CC(=O)NC1=CC=C(C=C1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4 1 4.408 3 1 -2.93068895200489 2112024 C1CSC(=N1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.235 3 3 0 -15.7016034213433 2112015 CCSC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl 1 3.716 4 3 0 -16.6312565160651 2112013 C1CSC(=N1)NC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.671 5 1 -6.50251426273859 2112003 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3F 1 3.877 1 1 -9.09664831271562 2111974 CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2CCOC)C3=CC=NC=C3 1 2.782 4 3 0 -18.2170074344839 2111934 COCCOC1=C(C=C(C=C1)C(F)(F)F)NC2=NC3=CC=CC=C3O2 1 3.605 2 3 2.89922678321892 2111933 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC=C(C=C3)OCC 1 2.957 3 4 0 -10.2600057883135 2111915 CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC=CN2C 1 4.26 1 2 -1.05330367412442 2111911 C1=CC=C(C=C1)COC(=O)C2=C(N=CC=C2)Cl 1 2.991 1 2 -3.04030259704972 2111906 CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=CC=C(C=C3)NC(=O)C 1 4.12 2 2 -6.87766994091575 2111905 C1CC(=O)N(C1)CCCNC(=O)C2=CC(=C(C=C2)Cl)Cl 1 2.082 2 2 -19.5026417119905 2111880 COC(=O)C1CCN(CC1)C(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 1.606 2 5 0 -11.5622976473074 2111874 COC1=CC(=C(C=C1)C=NOCC(=O)N2CCCC2)OC 1 1.389 2 4 0 -4.13650721226989 2111871 CC(C)CNC(=O)CON=CC1=CC=CC=C1Cl 1 2.611 2 2 -5.66847401458496 2111848 CC1=C(C=CO1)C2=NN=C(N2C)SCCOC3=CC=C(C=C3)OC 1 3.273 3 3 -4.47516121156762 2111814 CC(C)C(=O)NC1=C(C=C(C=C1)Br)Cl 1 3.492 1 1 -5.5992047599575 2111813 CC1=CC=C(O1)C(=O)N(CC(C)C)C2=NC3=CC=CC=C3S2 1 4.178 2 2 -1.89843102879598 2111807 C1CN(CCC1C(=O)N)C(=O)COC2=CC=C(C=C2)NC3=CC=CC=C3 1 2.103 3 3 -5.80601556253391 2111806 CC(C)(C)NC(=O)/C=C/C1=CC(=CC=C1)C(F)(F)F 1 3.379 1 1 -3.65038348370433 2111802 CC(C)CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 2.559 4 2 -3.94068456020918 2111797 CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC=NC=C4 1 2.181 5 1 -15.3271861958678 2111790 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NC(C)(C)C 1 2.418 2 3 -19.2326710267906 2111771 CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.083 2 4 -19.5053535797415 2111755 CC1=CC=C(O1)/C=C/C(=O)OC2=CC=C(C=C2)C#N 1 3.149 1 3 -5.60296832458345 2111752 C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F 1 3.025 1 1 -4.00444776904051 2111678 CCOC1=C(C=C(C=C1)NC(=O)CN(C)CC(=O)NC2=C(C=C(C=C2)Br)F)OCC 1 3.211 3 4 0 -10.3326233063679 2111676 CCOC1=C(C=C(C=C1)NC(=O)CN(C)CC(=O)NC2=C(C=CC(=C2)Cl)C#N)OCC 1 2.801 4 4 0 -12.4549099207183 2111673 C1=CC(=CC=C1OCCOC(=O)C2=NC=CN=C2)Br 1 2.193 2 3 -7.46929617953322 2111668 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CC3=CC=C(C=C3)Cl 1 2.43 1 5 -9.31604574724072 2111650 CC1=CC=NC2=NC(=NN12)C(=O)NC3=NCCS3 1 0.897 6 1 0 -17.1546084049109 2111628 CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)N3CCOCC3)Cl)C4=CC=CC=C4 1 3.432 4 2 -6.14169387825237 2111621 CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=CC(=CC=C2)SC 1 4.711 1 2 -0.553870712714103 2111618 COC1=CC=CC(=C1)C(=O)NC2=C(C(=C(C=C2)F)F)F 1 3.214 1 2 -5.10349240542719 2111605 C1CN(CCN1C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4 1 4.322 3 2 -5.25232284304979 2111546 CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C)S(=O)(=O)C 1 1.672 3 5 0 -13.9450407946634 2111513 C=CCOC1=CC=CC=C1CNC2=CC3=C(C=C2)NC(=O)N3 1 2.685 3 2 -14.8953220710748 2111512 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)/C=C/C(=O)O 1 1.658 2 3 0 -0.475973761227246 2111492 CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)F)C2CCCCC2 1 2.07 2 3 -9.87029883448692 2111481 CCOC(=O)C1=C(N(N=C1)C2=CC(=CC(=C2)C)C)N 1 2.611 3 2 -4.57856270339499 2111478 C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)CCl 1 2.813 2 1 -4.50885470185619 2111418 CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)O)Cl 1 4.547 2 5 0 -18.1400299904648 2111399 CC1=CC=CC=C1CNC(=O)C(=O)NC2=NC=CS2 1 1.371 3 2 0 -11.467328969783 2111388 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCC2=CC=CC=C2 1 2.094 2 4 -20.1681586873835 2111356 C1OC2=C(O1)C=C(C=C2)OC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.32 0 6 -13.3766597407298 2111348 CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NCCS3 1 3.46 3 3 -18.6619325272852 2111262 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.985 3 4 0 -19.28948080035 2111237 CC1=CC(=C(O1)C)C(=O)OCC2=C(C=CC(=C2)C(=O)C)OC 1 2.387 0 5 -10.2984215456516 2111233 C1COCCN1CCCNC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3 1 3.841 5 1 -5.91717436064445 2111212 CNC(=O)COC(=O)C1=C(C=CC(=C1)SC)Cl 1 1.951 1 3 0 -7.5279843105337 2111201 CC(C)CNC(=O)CON=CC1=C(C=C(C=C1)OC)OC 1 1.914 2 4 0 -6.8564957198603 2111186 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)OC 1 2.664 2 4 -6.08884876904927 2111176 CCCN(CC(=O)C1=C(N(C(=C1)C)C)C)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 3.608 2 3 -11.0328409827739 2111162 C[C@@H](C(=O)OCC1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 2.3 2 5 0 -13.2912227748386 2111147 C1CSC(=N1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.571 3 4 0 -26.5946143793029 2111145 C1CSC(=N1)NC(=O)CCN2C(=O)/C(=C/C3=CC=CS3)/SC2=O 1 2.474 3 3 -17.0057762661142 2111081 CN1C(=O)C=CC(=N1)C(=O)NC2=NCCS2 1 0.398 4 2 0 -13.3869215223053 2111065 CCOC1=CC=C(C=C1)C=NOCC(=O)NCC2=CC=CS2 1 2.411 2 3 -9.89586826659432 2111038 CCC1(C(=O)N(C(=O)N1)CC2=NC3=CC=CC=C3S2)CC 1 2.749 3 2 -0.952538469432885 2111037 C1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Cl 1 3.642 2 2 1.98347036471423 2111014 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NCCN2C(=O)/C(=C/C3=CN=CC=C3)/SC2=O 1 2.216 4 5 0 -12.8178170645295 2110953 CCCCN1CC2=C(NC1=O)N=CC(=C2)C(=O)C3=C(C=CC(=C3)OC)O 1 2.768 3 4 0 -8.44655415037647 2110952 CCCCN1CC2=C(NC1=O)N=CC(=C2)C(=O)C3=C(C=CC(=C3)F)O 1 2.99 3 3 -6.07730557037016 2110942 COC1=CC=C(C=C1)C2=NN(C=C2N)C3=CC=CC=C3 1 3.24 3 1 11.2664763117011 2110924 CCOCCCN1C(=O)C2=CC=CC=C2N3C1=NNC3=S 1 2.114 4 2 -11.6975874509299 2110903 CC1=NC2=C(C(=C1)C(F)(F)F)SC(=N2)N 1 1.978 3 0 0 1.86393829826469 2110867 CC1=CC(=NC(=N1)N2C3=C(C(=N2)C)C(=CC(=N3)C)C(F)F)C 1 2.625 5 0 -1.64875878356161 2110841 CN1C2=CC=CC=C2N(C1=C(C#N)C(=S)NC3=CC(=CC=C3)OC)C 1 4.561 4 1 -3.32993529993461 2110833 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)NC(=O)C4=CC=CO4 1 4.136 3 2 2.54466640645105 2110831 C1=CC=C(C=C1)C2=NN(C=C2NC(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.788 3 1 4.48301117774829 2110824 C1=CC=C(C=C1)C(=O)NC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 5.452 3 1 7.07255774669855 2110820 C1=CC=C(C=C1)C(=O)NC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4 1 4.993 3 1 5.96243608157698 2110810 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CNC)N 1 -0.141 5 3 0 -12.391552745703 2110803 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=NCCS2 1 0.191 4 4 0 -19.7260271501179 2110801 CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NCCS2 1 1.446 3 4 0 -18.7992097242723 2110790 C1=CC=C(C(=C1)C2=NN=C(O2)CN(CC3=CC=CO3)S(=O)(=O)C4=CC=CC=C4F)Br 1 3.742 3 4 0 -12.9347323136568 2110757 C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=CS3 1 0.494 4 2 0 -18.7767177097536 2110751 C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=CC(=O)N5C=CSC5=N4 1 2.243 6 2 0 -27.0379249189291 2110737 CCOC1=CC=C(C=C1)C=NOCC(=O)NCC2=CC=CO2 1 1.853 2 4 0 -9.20110309895973 2110733 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=CS3 1 -5.5e-002 4 4 0 -25.0904889927395 2110726 COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC=C4N5CCOCC5 1 3.064 3 5 0 -8.19989576652455 2110724 C1CN(CCC1C(=O)NC2=NC=CS2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 2.529 3 3 -8.56164563514707 2110722 C1CSC(=N1)NC(=O)C2=CC=NC=C2 1 0.952 3 1 0 -12.1672564017556 2110721 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.987 2 2 -6.38135046390989 2110716 CC1=CSC(=N1)NC(=O)CN2C=NN=N2 1 -0.944 6 1 0 -19.1117347212718 2110707 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)F 1 1.359 3 4 0 -22.3913165441395 2110704 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3Cl 1 2.581 3 3 -8.51530948460849 2110703 C1=CC(=CC(=C1)Cl)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F 1 4.716 2 3 -3.06464475398695 2110684 C1CC2=CC=CC=C2N(C1)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 1.9 3 4 0 -27.6728447750827 2110670 CC1=C(C(=NN1CCOC2=CC=C(C=C2)Br)C)[N+](=O)[O-] 1 3.183 3 3 -1.41383920474679 2110639 COCCNC(=O)COC(=O)C1=C(N=CC=C1)SC 1 0.544 2 4 0 -21.5629469098152 2110634 CC1=CC(=CC=C1)N2C(=CC(=C2C)C(=O)NC3CCCCC3)C 1 4.549 2 1 -5.1442150897047 2110630 CC1=CC(=C(C=C1)C)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.968 4 1 0 -1.9208650987997 2110629 CN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Cl)C3CC3 1 2.191 5 1 -11.5685354560898 2110627 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC(C)C 1 1.641 3 4 0 -17.2450967036455 2110573 CC(C)C(=O)NC1=CC=CC(=C1)C2=CSC(=N2)C3=CC=CC=C3 1 4.407 2 1 -1.33322395122881 2110572 CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.312 2 1 -2.77162512104973 2110568 CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3 1 3.312 2 1 -0.536432375894319 2110557 C1=CC=C(C=C1)C2=NC(=CS2)C3=CC(=CC=C3)NC(=O)CCC(=O)O 1 3.123 2 3 -2.09177972907954 2110515 CC1CCN(CC1)C(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC 1 1.439 2 4 0 -19.2631286177894 2110505 CN1CCCN(CC1)C(=O)CNC(=O)CC2=CC=CC=C2 1 0.358 3 2 0 -11.425316726907 2110502 CN1CCN(CC1)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 0.416 4 2 0 -8.6017715692576 2110484 C/C=C/C1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC)OC 1 3.338 1 6 0 -13.4777937602138 2110466 C/C=C/C1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)OC)OC)OC 1 3.354 1 5 -12.2763395702225 2110403 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)CC3=C(C=CC=C3Cl)F 1 3.705 2 1 -9.1409355090338 2110401 C1CN(CCC1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=CO3 1 3.764 1 2 -1.55174460625431 2110386 C1=CC=C(C(=C1)C(=O)C2=CN(C(=O)C(=C2)C#N)C3=CC=C(C=C3)Cl)O 1 3.084 2 3 -4.13320920892817 2110385 CC1=CN=C(S1)NC(=O)CCC2=CC=C(C=C2)OC 1 2.231 2 2 -7.36187948706951 2110382 CCN(C1=CC=CC=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.252 2 5 0 -19.7705858088285 2110375 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=CN3 1 1.682 3 4 0 -10.1670250526599 2110332 CCOC1=C(C=C(C=C1)C(=O)C)COC2=CC=C(C=C2)N3C=NN=N3 1 2.356 4 3 0 -16.8332456069682 2110316 C1=CC=C2C(=C1)N=C(S2)COC(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.934 2 3 -5.1332998588147 2110284 CC1=CC=CC=C1SCC(=O)NC2=CC=CC(=C2)C#N 1 3.373 2 1 -10.4157698510607 2110271 CC[C@H](C)[C@@H](C(=O)NCCC1=CC(=C(C=C1)OC)OC)NC(=O)N 1 1.878 3 4 0 -22.3817732790762 2110268 C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C3=CC=CC=C3F 1 4.794 1 1 -7.13004331326921 2110260 C1=CC=C(C(=C1)C(=O)NCCC(=O)NC2=CC=CC(=C2)C#N)Cl 1 2.466 3 2 -14.8422580553115 2110254 CCCNC(=O)C1=NNC(=O)C2=CC=CC=C21 1 1.06 3 2 0 -15.7997124864016 2110253 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=C(C=C(C=C3)OC)OC 1 3.05 2 3 -9.0452683381885 2110251 C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)CN4C(=O)C5(CCCC5)NC4=O 1 2.077 6 3 0 -9.8657379295661 2110246 CN(CCC#N)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N3CCCC3=N2 1 0.39 4 4 0 -22.5330581157255 2110230 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NCC2=CC=C(C=C2)F 1 1.783 2 5 0 -15.5120959233637 2110224 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N 1 1.216 2 6 0 -16.6678950663132 2110219 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3 1 3.113 2 4 -6.28697482861583 2110194 COC1=CC=CC=C1C(=O)NCCC(=O)N2CC(=O)NC3=CC=CC=C32 1 0.918 3 4 0 -20.8174804644702 2110169 CC(C)CCNC(=O)C1=CC(=CN(C1=O)CCC(C)C)C(=O)C2=C(C=CC(=C2)F)O 1 3.539 2 4 -11.3094281963453 2110155 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)F 1 2.405 2 3 -20.6353806621389 2110154 CC1=CC(=C(C=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)Br 1 4.142 2 2 -13.9239923572301 2110148 C1CN(CCN1C(=S)NCCCN2CCOCC2)S(=O)(=O)C3=CC=CC=C3 1 1.666 4 3 0 -28.3285106875902 2110139 CC1=C(SC(=N1)NC2=CC=CC=C2C(F)(F)F)C(=O)N(C)C 1 2.67 3 1 -4.48404963625075 2110122 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3 1 4.222 3 2 -5.42412416115376 2110092 C1=CC(=CC=C1CC(=O)NCCC2=C(C=C(C=C2)Cl)Cl)Br 1 5.054 1 1 -7.21687372879462 2110077 COC1=C(C=C(C=C1)CCNC(=O)CON=CC2=CC=C(C=C2)C(=O)OC)OC 1 2.482 2 6 0 -12.6043584056751 2110057 COC(=O)C1=CC=C(C=C1)C=NOCC(=O)NCC2=CC=C(C=C2)F 1 2.4 2 4 -8.24172680347184 2110038 C1CC2=CC(=C(C=C2C1)O)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F 1 5.29 2 1 14.1377466555601 2110033 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N 1 1.491 3 5 0 -20.0304435417634 2110030 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC=C(O2)C(=O)OC 1 2.354 1 6 0 -10.6326233833386 2109997 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCC(=O)C3=CC=CS3 1 4.142 1 2 -17.2040406935353 2109989 C1CN(CCC1=O)C(=S)NCC2=CC=CC=C2 1 2.541 2 1 -12.6559125597265 2109980 CCOC1=CC=CC=C1C(=O)NCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.04 3 5 0 -20.9098819320926 2109973 CCC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)CC 1 1.3 3 5 0 -13.7348961869287 2109969 CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3/C(=C/C4=CC(=CC=C4)OC)/C2=O 1 4.855 1 3 -3.84720047630488 2109912 COC(=O)C1=CC=C(O1)CSC2=NN=C(S2)NCC3=CC=CC=C3 1 3.219 3 3 -13.7494722285856 2109911 CC1=CC=C(C=C1)OCCOC(=O)C2=NN3C(=CC=NC3=N2)C 1 2.598 4 3 0 -12.0943633870292 2109908 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Cl)C 1 2.886 2 6 0 -16.184509046454 2109903 CC(C)C1=NC(=NN1)SCC(=O)NCC2=CC=CC=C2 1 2.686 4 1 -13.3670018322571 2109889 CC1=C(NC(=C1C(=O)C)C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.075 4 4 0 -23.4471006270646 2109888 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CS3)C4=CC=C(C=C4)OC(F)F 1 5.002 3 3 -25.6544407617598 2109800 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC3=CC=C(O3)C(=O)OC 1 2.137 2 5 0 -7.68376498771212 2109809 C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.458 2 4 -7.92172092291538 2109821 CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=NN2C)N 1 -1.22 7 3 0 -23.9325987543075 2109848 COC1=C(C=C(C=C1)C(=O)NC2CCCCCC2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 4.56 2 4 -22.3599805721353 2109847 CCC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C#N 1 3.682 1 2 -6.5318923189272 2109846 C1CCC(C1)N2C(=CC(=O)N=C2SCC(=O)NC3=C(C(=CC=C3)Cl)Cl)O 1 4.466 3 3 -16.1782678143734 2109843 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC5=C4CCCC5 1 4.533 3 2 1.99571391819725 2109826 CCC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C(=C(S3)C)C4=CC=C(C=C4)C)C(=O)OCC 1 4.458 3 5 0 -13.8729862945543 2109770 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3 1 3.26 5 3 0 -19.7391072162729 2109767 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCC3=CC=CO3 1 1.254 3 4 0 -13.9314808971791 2109766 CC(=O)C1=CC(=C(C=C1)OCC2=NN=C(O2)C3=CC=CC=C3Br)OC 1 3.361 2 4 -13.6037791850203 2109762 CCCN1C2=CC=CC=C2C(=NOCC(=O)NCC(F)(F)F)C1=O 1 1.922 3 3 0 -8.57399706800632 2109759 CCOC1=CC=C(C=C1)OC2=C(C(=NN2C3=CC=CC=C3)C)C=NNC(=O)C 1 3.545 4 3 0 -2.07779214321949 2109757 COC(=O)C1=CC=C(C=C1)C=NOCC(=O)NC2=C(C=CC(=C2)F)F 1 2.598 2 4 -4.50252540472374 2109685 CN1C(=NN=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 0.738 6 3 0 -31.708624184175 2109682 CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N 1 1.329 7 3 0 -24.2831899946327 2109673 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)N3CC(=O)NC4=CC=CC=C43 1 3.163 2 5 0 -3.84955457446265 2109668 C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCN4C(=O)C5=CC=CC=C5N=N4 1 3.613 5 4 0 -20.2713077214428 2109654 CCOC1=CC=C(C=C1)OCCSC2=NC(=O)C3=CC=CC=C3N2 1 3.995 2 3 -9.41321658948167 2109652 CCCN1C(=CC(=C1C)C(=O)CN2C(=O)C3=CC=CC=C3N=N2)C 1 3.551 4 2 -22.7141018980967 2109651 CC1=CC(=C(N1C)C)C(=O)COC2=CC=CC=C2C(=O)N 1 1.662 2 3 0 -5.38721233659353 2109648 CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C(=O)C4=CC=CC=C4N=N3 1 4.002 4 2 -23.7980291002566 2109647 CC1=CC(=NO1)NC(=O)COC2=C(C=C(C=C2)OC)C(=O)C3=CN(C(=O)C(=C3)C#N)CCCOC 1 0.759 4 7 0 -24.8862948061245 2109636 CC1=CC=NC2=NC(=NN12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 0.623 6 3 0 -24.5553124061926 2109630 CC1=C(C=CC(=C1)NC(=O)COC(=O)C)Br 1 1.892 1 3 0 -6.03438197270083 2109611 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CN=C(C=C2)Cl 1 2.089 3 2 -9.95090294811816 2109610 C1CN(CCN1C(=O)C2=CC(=CN=C2)Br)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.09 3 3 -15.5316159426676 2109573 CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5 1 3.82 4 3 0 -14.7440555730315 2109538 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=C(C(=C(C=C3)F)F)F 1 1.77 3 3 0 -7.13270742475207 2109482 C1=CC=C(C=C1)CNC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2 1 0.564 4 2 0 -3.96822730017814 2109478 CC1=CC(=NO1)NC(=O)COC2=CC3=C(C=C2)OC4=CC=CC=C43 1 3.092 2 4 -13.6742466789818 2109473 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 1.969 5 2 0 -20.0101814466144 2109466 CC1=CC(=C(C=C1NC(=S)NC2=CC(=CC=C2)Cl)OC)OC 1 5.484 2 2 -5.95410679420291 2109465 COCCCNC(=S)NC1=CC=C(C=C1)N2CCCCC2 1 3.523 3 1 -11.3846892168129 2109460 CC1=CC=C(S1)C=NN2C=C(NC2=S)C3=CC=CC=C3 1 3.505 3 0 -0.155583086788904 2109458 CC1=C(C=CO1)C(=O)NN=CC2=C(N=C(S2)N3CCOCC3)C4=CC=CC=C4 1 2.398 4 3 0 -0.130178980536618 2109452 CN1C2=CC=CC=C2/C(=C/C3=CC(=CS3)Br)/C1=O 1 3.638 1 1 4.246584388274 2109424 CC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 1.905 3 2 0 -4.97291095157957 2109422 C1=CC(=CC=C1C2=NN=C(O2)COC(=O)C3=CC=C(C=C3)O)Cl 1 3.183 2 4 -1.89966721150199 2109418 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Br)C 1 2.97 2 6 0 -17.6411687915554 2109300 C1CN(CCN1CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)F 1 1.824 4 3 0 -9.9346608370091 2109256 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NCCS3 1 3.46 3 3 -19.5903276587519 2109255 COC1=CC=C(C=C1)OCCN2C(=O)C3=C(C2=O)C(=CC=C3)N 1 1.731 2 4 0 -4.47209363949692 2109248 C1C2=C(N=C(C(=C2N)C#N)N)N(C1=O)C3=CC=CC=C3C4=CC=CC=C4 1 2.433 5 1 -3.82161398382046 2109228 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC=C2Cl)Cl 1 2.766 2 3 -3.32255130107269 2109219 CC1=C(C(=CC=C1)C)NC(=O)CN(C)CC2=C(C=C(C=C2)OC)OC 1 3.479 2 3 -6.21446415486148 2109211 CN1C(=C(C(=C(C1=O)C#N)C2=CC=C(C=C2)F)Br)N 1 1.638 3 1 0 0.563544337133825 2109175 CC1=CC=C(C=C1)CNC2=NC(=CS2)C 1 2.515 2 0 0.950026231695609 2109156 C1=CC(=CC=C1C(=O)NNC(=O)CSC2=NN=C(S2)N)F 1 0.739 5 2 0 -15.0151695252607 2109144 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CC3=CC(=C(C=C3)OC)OC 1 3.528 2 5 0 -7.25273037912049 2109139 C1CN(C(=NC2=CC=CC=C2)SC1)C(=O)C3=CC=CO3 1 3.342 2 2 -7.8201412823865 2109137 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N(C)C)C 1 2.386 4 3 0 -12.5867424718082 2109133 CCC(CC)C1=NN=C(S1)NC(=O)C2=CN(C3=C(C2=O)C=CC(=N3)C)CC 1 3.108 5 2 0 -13.2057680206273 2109092 COC1=CC=CC=C1CC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F 1 3.988 2 2 -1.61994959015321 2109085 COC1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F 1 3.988 2 2 0.676036397379066 2109084 COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F 1 3.955 2 4 -3.06946421037464 2109065 CCC(C)(C)NC(=O)CCCSC1=NC2=CC=CC=C2S1 1 4.081 2 1 -13.2760253771674 2109063 CC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.689 3 4 0 -8.18903676739838 2109033 CC1=CC(=CC=C1)OCCSC2=NN=C(N2C)C3=C(OC=C3)C 1 3.776 3 2 -3.01337223641893 2109029 CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN=C3N2C=CC=C3 1 2.995 5 1 -19.8761399196025 2109019 C1C(=O)NC2=CC=CC=C2N1C(=O)/C=C/C3=CC(=CC=C3)Cl 1 2.759 2 2 -6.0476416867938 2109001 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.812 3 4 0 -20.2678089240872 2108992 COC1=CC=CC=C1S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 1.786 3 5 0 -8.14610882847346 2108987 C1=CC=NC(=C1)C2=NNC(=N2)COC3=CC=C(C=C3)Cl 1 2.912 4 1 4.44153506072662 2108971 CCC1=CC=CC=C1OCC(=O)N(CC)CC(=O)NCC2=CC=C(C=C2)F 1 3.219 2 3 -17.0315065395662 2108961 CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)COC2=CC3=CC=CC=C3C=C2 1 3.185 2 3 -12.8891903827321 2108955 C1=CC=C2C(=C1)NC(=N2)SCCCC(=O)N 1 1.852 3 1 0 -6.48317839117033 2108937 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=NC(=C(S2)C)C3=CC=C(C=C3)OC 1 3.444 3 3 -7.10723988515074 2108929 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3(CCCCC3)N(C)C 1 3.933 3 3 -15.6694592619276 2108906 C1CCC(CC1)N2C=C(C=C(C2=O)C#N)C(=O)C3=CC=CC=C3OCC(=O)NC4=CC=CC=C4 1 3.563 3 4 0 -13.8795602881175 2108892 CC1=CC(=C(N1C)C)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 2.729 1 4 -7.28173116142391 2108861 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)COC3=C4C=CSC4=NC=N3 1 3.188 3 4 0 -18.6462890103549 2108857 COC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)[N+](=O)[O-] 1 3.196 4 6 0 -24.5740414109211 2108827 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3)OC 1 3.673 3 4 0 -14.7657474958214 2108821 CC(C)CNC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3 1 4.392 1 3 -1.20915304968629 2108800 CC1=NC=C(N=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 1.146 4 3 0 -23.1749669084654 2108797 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CC(=C3)Cl)OC 1 2.224 4 4 0 -8.79224890277208 2108794 CC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC=CC=C3F 1 3 2 2 -4.71959057421577 2108786 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)Cl 1 3.685 2 5 0 -16.0606605267796 2108782 COC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.798 2 5 0 -17.3508998123525 2108781 C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 2.884 2 5 0 -11.1434677036467 2108776 C1=CC=C2C(=C1)C(=C(O2)C(=O)OCC(=O)N)CSC3=CC=C(C=C3)Cl 1 3.924 1 4 0.933236374463517 2108764 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 1.711 4 4 0 -9.30441884943805 2108762 CC1=CC(=NN1C2=NC(=C(C=C2)Cl)C(=O)OCC(=O)NC)C 1 1.881 4 3 0 -14.3473622339932 2108758 CC(C)(C)NC(=O)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2Br 1 3.097 5 2 0 -11.748392494697 2108756 C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=NC(=O)C4=CC=CC=C4N3 1 2.815 5 1 -11.4166836158488 2108747 COC1=C(C=CC(=C1)C(=O)NCC2(CCCCC2)N3CCCCC3)OC(F)F 1 4.597 2 3 -11.2630197230927 2108736 CCN1C(=NN=C1SCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)C3=CC=CC=C3 1 1.314 6 3 0 -15.6922046052419 2108730 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3 1 1.841 4 4 0 -3.51563365141183 2108728 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CCSC2=CC=CC=C2 1 3.339 1 4 -12.3385154622984 2108725 C1CC1C2=NN=C(N2CC3=CC=CO3)SCC(=O)NCC(F)(F)F 1 2.334 4 2 -20.8203525750204 2108713 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4 1 2.636 2 6 0 -13.563606436133 2108712 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4C(=O)N3CCOC 1 3.387 7 2 0 -17.1669664644746 2108710 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3=CC(=C(C(=C3)OC)OC)NC(=O)C4=CC=CS4 1 4.797 2 7 0 -17.5906111203428 2108700 COC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NCC(F)(F)F)C3=CC=C(C=C3)OC 1 2.345 3 5 0 -13.1602647465647 2108637 C1=CC2=NN=C(N2C=C1)SCC(=O)C3=CC=C(C=C3)Cl 1 3.608 3 1 -8.28452386412554 2108636 COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CNC(=O)C3=CC(=CC(=C3)OC)OC 1 2.309 1 8 0 -17.7482781633536 2108621 C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=S)NCCCN4CCOCC4 1 3.324 6 1 0 -13.496249229201 2108618 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NC3CC3 1 4.119 3 2 -13.1038776262481 2108615 CC1=CC=C(C=C1)N(CC2=CC=C(O2)C(=O)OC)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 3.707 1 7 0 -13.7243208915336 2108590 C1COCCN1C2=NC(=C(S2)C=NNC(=O)C3=CC=C(C=C3)N)C4=CC=CC=C4 1 2.402 5 2 0 -0.538853415658382 2108581 CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C 1 2.835 2 1 -10.2042391602075 2108576 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3)C 1 0.96 4 5 0 -6.18142765182055 2108567 CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C 1 5.389 3 1 -11.1558165345189 2108565 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.526 2 3 -18.2296128130877 2108556 CNC(=O)CSC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 1.97 3 5 0 -14.4442047820981 2108496 CC1=CSC(=N1)SCC(=O)NCC2=CC=CC=C2 1 2.294 2 1 -18.7166352154546 2108455 CC1=NN(C(=C1C=NNC(=O)C2=CC=CS2)Cl)C3=CC=C(C=C3)F 1 3.81 4 1 -1.58819574676864 2108442 CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C3=CSC(=N3)NCCOC 1 3.458 3 2 -5.25953648050796 2108414 CC1=CC(=NO1)NC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2 1 -0.304 5 3 0 -8.53244241137652 2108387 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NNS(=O)(=O)C3=CC=CC=C3F 1 0.584 3 6 0 -24.885535283684 2108351 CC1=C(C(=NO1)C)CN(C2=CC=CC=C2)C(=S)NC3CC3 1 3.821 3 1 -14.0646324056429 2108350 CCOC1=CC=C(C=C1)NC(=S)NCC2=NC3=CC=CC=C3N2 1 4.137 4 1 -8.04630861276511 2108334 C1CCC(C1)NC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 2.412 2 3 -3.55156804931787 2108332 CCC(CC)NC(=O)C1=CC2=C(S1)N(N=C2C)CC3=CC=CC=C3Cl 1 5.023 3 1 -13.7695918289761 2108328 C1=CC(=CC=C1CCNC(=O)C2=CC=NC=C2)S(=O)(=O)N 1 0.497 3 3 0 -12.6904937459149 2108384 CC1=CC(=C(C=C1)C)NC(=S)NCC2=CC=C(C=C2)OC 1 5.051 2 1 -8.09514949398242 2108377 C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)CC4=CC=CS4 1 4.136 2 1 -5.7072815356212 2108365 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl)OC 1 4.035 2 4 -12.2063188098262 2108358 CCCCNC(=S)N(CC1=C(ON=C1C)C)C2=CC=CC=C2 1 4.66 3 1 -16.217717168667 2108293 CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC3=CC=CC=C3F 1 3.488 3 1 -13.3142218508531 2108324 C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=CNC(=O)C=C2 1 1.37 2 2 0 -7.74579462605401 2107599 CC(C)CNC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.799 4 1 -2.63842105355043 2107595 CC1=CSC(=N1)NC(=O)CC2=CNC3=CC=CC=C32 1 2.222 3 1 -7.61261937351126 2107585 CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCCCC3)C(C)C 1 4.531 1 2 -3.91386652004438 2107577 CC1=C(C(=NO1)C)COC(=O)C2=CC3=C(S2)N(C4=CC=CC=C43)C 1 3.681 2 3 -10.2143846052729 2107565 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4 1 3.439 4 2 -13.3098826660206 2107533 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3Cl)F)F 1 3.813 3 3 -10.4267068765035 2107485 COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC=CC=C3SC 1 3.111 3 2 -7.13426549712826 2107481 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=N3 1 0.404 3 6 0 -26.2049916260322 2107474 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=CC=N3 1 1.539 4 3 0 -17.795224295234 2107464 CC1=CC(=NC2=NC(=NN12)C(=O)NC3=NC(=CS3)C)C 1 0.971 6 1 0 -11.4574749941956 2107456 CC1=CSC(=N1)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 1.896 2 3 0 -10.2464117758992 2107455 C1=CC=C2C(=C1)C(=CN2)CC(=O)NC3=NC=CS3 1 1.94 3 1 0 -8.25133405135245 2107454 COC1=C(C=C2CN(CCC2=C1)C(=O)COC3=CC=CC=C3[N+](=O)[O-])OC 1 2.599 2 6 0 -16.1372650909815 2107433 CC(C)[C@@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)NC(=O)N 1 1.775 3 3 0 -15.4188267370127 2107432 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 2.327 5 4 0 -14.3781465915325 2107417 C1CN(CCN1CC(=O)NC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 0.509 4 5 0 -23.5246786485697 2107414 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 1.67 5 3 0 -10.4187553585511 2107392 CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2CCC3=CC=CC=C32)N 1 2.141 5 3 0 -18.2895241313873 2107382 COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)OC 1 2.051 4 5 0 -17.4429356002645 2107368 C1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NCC3=CC=CO3 1 2.125 4 2 -19.3945298369934 2107346 CC(C)(C)C(=O)CN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 3.439 2 3 -6.44002417954095 2107341 C1CCC(CC1)NC(=O)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.602 4 4 0 -22.9413765069117 2107332 C1CC2=CC=CC=C2N(C1)CC(=O)NCC3=CC=CC=C3Cl 1 3.83 2 1 -18.5684311985663 2107276 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NCC3=CC=CC=C3 1 1.631 2 4 0 -22.4587280617594 2107270 C1=CC=C(C(=C1)CNC(=O)CCC2=NC3=CC=CC=C3S2)F 1 3.387 2 1 -12.5063063703202 2107253 C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N(C(=O)C2=O)CC(=O)NC4=CC(=CC=C4)F 1 3.552 3 3 0.741458569040621 2107229 COC(=O)C1=CC=C(O1)CSC2=NN=C3N2C4=CC=CC=C4S3 1 3.96 3 3 -11.2002812242814 2107162 C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)/C=C/C3=NC4=CC=CC=C4S3 1 4.188 2 3 -2.19623073170586 2107156 CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3 1 3.634 3 4 0 -19.1902174854155 2107154 CNC(=O)COC(=O)/C=C/C1=NC2=CC=CC=C2S1 1 1.703 2 3 0 -3.07284357478056 2107150 CC1=NC2=CC=CC=C2N=C1OCC(=O)NCC(F)(F)F 1 2.166 3 2 -11.0249296875481 2107102 CC1=C(C(=NC=C1Cl)NC(=O)CSC2=NN=C3N2C=CC=C3)Cl 1 3.528 5 1 -13.3388440515986 2107101 COC1=C(C=C(C=C1)C(=O)CSC2=NN=C3N2C=CC=C3)OC 1 2.911 3 3 -15.0930880892087 2107069 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.158 3 2 -9.36323291846932 2107054 C1COCCN1C2=NC3=CC=CC=C3N=C2OCC(=O)NCC(F)(F)F 1 1.653 4 3 0 -11.3565884709201 2107051 COC1=CC(=CC(=C1OC)OC)CCC(=O)NCC2=CC=C(C=C2)F 1 3.268 1 4 -15.584001274564 2107050 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)Cl 1 5.081 3 1 -8.18881114587732 2107023 CC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)N=C(S3)C 1 3.28 2 2 -4.57644996016849 2106999 CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-] 1 1.14 2 6 0 -17.439970993895 2106994 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=NC=C(C(=C3Cl)C)Cl 1 3.229 4 4 0 -10.5204238160788 2106991 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=C(C=C3)F 1 2.851 2 4 -12.5688167120996 2106969 CC1=CC(=NO1)NC(=O)COC2=C3C(=C(SC3=NC=N2)C)C 1 2.041 4 3 0 -15.2214884339214 2106955 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)(C)C 1 2.231 2 3 -22.3139885533051 2106954 COC1=CC=CC(=C1)CNC(=O)CC2=CC=C(C=C2)Br 1 3.388 1 2 -8.81144885962034 2106942 CC1=C(C(=NO1)C)CN(C2=CC=CC=C2)C(=S)NCCOC 1 3.2 3 2 -16.9331434720367 2106919 C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)C5=CC6=C(C=C5)OCCO6)F)C(=O)O 1 2.384 3 7 0 -18.467667282925 2106915 C=CCN1C(=CNC1=S)C2=CC=C(C=C2)Cl 1 3.444 2 0 -2.43884418389271 2106914 CCCN1C(=C(C(=O)NC1=O)CC)N 1 0.749 3 2 0 -6.51308419328302 2106881 C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C 1 0.372 3 4 0 -22.476266675393 2106873 C1CN(CCN1C2=CC=CC=C2F)C(=O)CCCC3=NC4=CC=CC=C4S3 1 4.095 3 1 -1.51819160561869 2106797 C1CN(CCC1C(=O)N)C(=O)CCC(=O)C2=CC=C(C=C2)Br 1 1.422 2 3 0 -7.18335138861035 2106766 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 1.952 6 4 0 -8.85008265091411 2106758 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)N 1 0.74 3 6 0 -32.5831356966061 2106749 CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NN=C(N2C)C3=CC=NC=C3)C)C 1 2.102 5 3 0 -9.22557764717598 2106743 CC(C)[C@@H](C(=O)NNC(=O)COC1=CC=CC(=C1)C(F)(F)F)NC(=O)N 1 1.161 4 4 0 -14.2100466490409 2106737 COC(=O)CNC(=O)COC(=O)C1=CC(=CC(=C1N)Cl)Cl 1 1.034 2 5 0 -14.4778232999596 2106735 C1CCC(CC1)CNC(=O)COC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.863 2 5 0 -15.9899934264686 2106732 CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 2.846 3 7 0 -12.4740910438198 2106730 COC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3)OC 1 3.368 2 5 0 -10.4756568366278 2106719 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)/C=C/C2=CC(=CC=C2)F 1 3.039 2 2 -3.5813515726958 2106682 CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)/C=C(/C#N)\C(=O)O 1 3.842 2 2 -6.73163271371619 2106610 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)/C=C/C(=O)O 1 3.759 1 2 1.82730622386072 2106600 COC1=CC2=C(C=C1)C(=CC(=O)N2)C3=CN=CC=C3 1 1.564 2 2 0 -2.62057195187161 2106580 C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)OCC(=O)O 1 2.798 0 4 -4.93979109753821 2106553 C1CC2=CC=CC=C2N(C1)C(=O)COC3=NN=NC4=CC=CC=C43 1 2.628 4 2 -10.4810632561515 2106547 C1=CNC(=C1)C(=O)CCC(=O)C2=CC=C(C=C2)Cl 1 3.239 1 2 1.03424076377972 2106511 C1C2=C(N=C(C(=C2N)C#N)N)N(C1=O)C3=CC=C(C=C3)Cl 1 1.579 5 1 0 -4.14940850188296 2106481 C1CC2=CC=CC=C2N(C1)C(=O)CN3C(=O)NN(C3=O)C4=CC=CC=C4 1 2.306 4 3 0 -10.9818347106204 2106472 C1COC2=C(O1)C=CC(=C2)C3=C(C(=O)C4=CC=CC=C4O3)N 1 1.725 1 4 0 -0.46535000324471 2106450 CN1CCCN(C2=NC3=CC=CC=C3N=C21)C(=O)C4=CC(=O)NC5=CC=CC=C54 1 2.168 5 2 0 -8.1951529145007 2106440 CCOC(=O)/C=C/C(=O)NC1=NC=CS1 1 0.765 2 3 0 -7.18842016218906 2106403 COC1=CC=C(C=C1)CCNC(=O)CN2CCC(CC2)C(=O)N 1 0.742 3 3 0 -8.70632242521721 2106397 CC1=CC=C(C=C1)CNC(=O)CN2CCC(CC2)C(=O)N 1 0.923 3 2 0 -8.88490972793882 2106395 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)COC4=CC=CC5=CC=CC=C54 1 4.485 3 4 0 -0.55711343870373 2106391 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)COC4=CC5=CC=CC=C5C=C4 1 4.485 3 4 0 1.59383674948763 2106389 CC1=C(C=CC(=C1)OCC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)OC)Cl 1 4.727 3 4 0 1.86626836505882e-002 2106379 C1=CC=C(C(=C1)C2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC(=O)O)Br 1 5.157 3 2 -6.637295230507 2106370 C1=CSC(=C1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2 1 4.451 2 1 -1.17893033290563 2106367 CC(C)OC(=O)CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1 1 3.188 2 3 -10.6098534623766 2106365 C1=CC=C(C=C1)C2=CC3=C(S2)N=C(NC3=O)C4=CN=CC=C4 1 2.939 3 1 -8.21112390391196 2106314 CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.944 2 4 -7.43348691094658 2106295 CC1=CC=C(C=C1)OCCOC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 3.018 2 4 -10.6568864108081 2106289 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=CC(=C3)C4=CC=C(C=C4)O 1 4.355 2 2 8.16436545796433 2106271 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CN3 1 2.36 2 5 0 -21.0417949096175 2106270 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 2.112 2 5 0 -25.4074575504192 2106262 CC1=C(C=CO1)C2=NN=C(N2C)SCCCC(=O)C3=CC=C(C=C3)F 1 3.688 3 2 -6.14689427126372 2106259 CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)CSC3=NNC(=N3)N)C4=CC=CC=C4)C)C 1 4.84 7 1 0 -4.99190389386552 2106237 CCOC(=O)CC1=CSC(=N1)SCN2C(=O)C3=CC=CC=C3N=N2 1 3.669 4 3 0 -26.7716014029081 2106208 CC1=CC(=CC=C1)S(=O)(=O)NNC(=O)CC2=CC=CN2C 1 1.686 3 3 0 -11.1605038722794 2106192 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)CCC3=CNC4=CC=CC=C43 1 4.725 2 3 -17.4044303679875 2106191 CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCC(=O)NC 1 1.867 3 3 0 -7.74786945916972 2106180 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC=C(O3)C(=O)OC 1 3.698 3 3 -11.5157631648443 2106174 CC1=CC=C(O1)C(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC 1 2.449 0 6 -6.89721288131213 2106171 C1=CC=C(C=C1)C2=NN=C(O2)CSC3=NN=CS3 1 1.921 4 1 0 -6.26913393589498 2106167 CC1=CC(=NO1)NC(=O)CSC2=CC=C(C=C2)F 1 2.352 2 2 -13.1804671834371 2106159 CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.448 2 4 -5.37264407072776 2106154 CC(C)[C@@H](C(=O)OCC(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)NC(=O)C4=CC=CC=C4F 1 4.401 2 6 0 -27.4782735861998 2106152 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 3.928 3 3 -8.71814925051395 2106149 CC1=CC(=CC=C1)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl 1 5.484 2 2 -5.92280336654194 2106103 C1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 4.6 2 3 -14.7046597369634 2106098 CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C3=NC=CN=C3 1 2.658 4 1 -2.7717227719362 2106095 CC1=C(C=CC(=C1)OCC(=O)N[C@@H](CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)Cl 1 5.356 3 2 -2.38677606044422 2106091 CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=O)C4(CCCC4)NC3=O 1 2.243 3 6 0 -10.6768447099771 2106059 CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=NN3C 1 2.138 6 2 0 -28.0584323445768 2106027 CCOC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC(=C(C=C2)OC)OC 1 2.629 1 6 0 -18.7177151780304 2106005 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)N4CCCCC4 1 1.516 5 3 0 -14.5674013037911 2105993 CC(=O)N1CCN(CC1)C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4 1 2.84 4 1 -0.513097007448395 2105970 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NCC3=CC=CO3 1 2.209 2 6 0 -27.9087216798435 2105962 COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4F)C5=CN=CC=C5 1 4.637 4 3 0 -11.3992849053913 2105944 CC(C)[C@@H](C(=O)OCC(=O)N(C)C1=CC=CC=C1)NC(=O)C2=CC=CO2 1 2.309 2 5 0 -19.0115078748336 2105931 CC(C)(C)C1=CC=C(C=C1)NC(=S)NCC2=CC=CS2 1 5.236 2 0 -7.17809913367814 2105930 CC(=O)C1=CC(=CC=C1)NC(=S)NC2CC2 1 2.741 2 1 -11.0236630571994 2105853 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=CC=CC=C3)C 1 4.808 1 2 1.10212620425906 2105850 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F 1 5.119 3 2 -4.03140035514418 2105805 CC1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C 1 5.299 2 2 6.71621114845925 2105796 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=CO3 1 3.336 1 4 -12.4051336707085 2105780 COC1=C(C=C(C=C1)NC(=O)C2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC=C(C=C3)F 1 3.17 3 4 0 -10.8034660928858 2105774 C1=CC2=C(C(=C1)N)C(=O)N(C2=O)CCOC3=CC=C(C=C3)F 1 1.953 2 3 0 -3.20197383368796 2105763 CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl 1 4.3 3 5 0 -22.9474769408744 2105736 C1=CC=C2C(=C1)NC(=N2)SCCCC(=O)OCC(=O)NC3=CC=C(C=C3)Cl 1 4.006 3 3 -12.2427239097525 2105732 CN(CC1=CC=C(C=C1)OC)C(=S)NC2=CC=C(C=C2)Cl 1 5.279 2 1 -2.97729931853152 2105722 C1=CC=C(C=C1)C(CC(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3 1 3.13 2 5 0 -20.3685473227439 2105718 CC1=CC(=C(C(=C1C)S(=O)(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C 1 2.324 3 6 0 -22.9647973773256 2105704 C1=CC=C(C(=C1)CNC(=S)NC2=CC=C(C=C2)Cl)F 1 4.965 2 0 -6.52296049940802 2105703 CCNC(=S)N(CC1=C(ON=C1C)C)C2=CC=CC=C2 1 3.68 3 1 -13.8331749111264 2105702 C1CN(CCN1C2=CC=C(C=C2)O)C(=S)NCC3=CC=CC=C3 1 4.164 3 1 -5.41394630292963 2105696 CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC(=C2)C#N)OCC 1 3.486 2 3 -14.7562049828798 2105651 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=C(N=CC=C3)Cl 1 2.484 3 3 -5.58903925516067 2105632 COC1=CC=CC=C1CNS(=O)(=O)C2=CC=C(S2)Cl 1 2.553 1 3 -2.0623973434949 2105626 COC1=CC=CC=C1OCC(=O)NCCCN2CCOCC2 1 0.745 2 4 0 -14.7868860679084 2105619 CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)OC 1 4.152 2 2 -14.5203976833738 2105613 CCOC1=C(C=CC=N1)C(=O)NCC2=CC=CC=C2 1 2.342 2 2 -12.7335926423018 2105608 CC1CCN(CC1)C(=O)CNC(=O)C2=CC(=CC=C2)OC 1 1.456 2 3 0 -15.2529564275881 2105607 CC1CCN(CC1)C(=O)CNC(=O)C2=CC(=CC=C2)OC(F)F 1 2.278 2 3 -13.8792291284923 2105606 COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCCCC2)OC 1 1.188 2 4 0 -16.574019013885 2105573 CC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=C(O3)C)C(=O)OC 1 3.681 2 3 -4.23382217718289 2105552 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=NC=CN=C3 1 1.379 4 1 0 -2.78754778866943 2105536 CC1=CC=CC(=C1)C(=O)NCCCN2CCCC2=O 1 1.24 2 2 0 -20.6000552463274 2105535 COC1=CC=C(C=C1)C(=O)NCCCN2CCCC2=O 1 0.737 2 3 0 -21.1908723297296 2105521 C1COCCN1CCCNC(=O)CSC2=CC=CC=C2 1 1.32 2 2 0 -12.1003376066031 2105519 COC1=CC=C(C=C1)CC(=O)NCC2(CCCCC2)N3CCCCC3 1 3.826 2 2 -10.7803300424961 2105517 COC1=CC=C(C=C1)C(=O)NCC2(CCCCC2)N3CCCCC3 1 3.792 2 2 -8.94585455307968 2105511 CC(=O)NCCC(=O)NCC1=CC=C(C=C1)F 1 0.47 2 2 0 -14.4670858521544 2105480 COC1=CC=CC=C1CCC(=O)NC2=NC=CS2 1 2.086 2 2 -12.6070817934675 2105479 CCC1=NN=C(S1)NC(=O)CCCSC2=NC3=CC=CC=C3N2 1 3.036 5 1 -17.5937282331097 2105472 CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)C 1 3.7 4 3 0 -23.9910664978369 2105455 CCCN1C(=O)NN=C1SCC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 3.454 4 2 -16.4670379561358 2105453 CC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-] 1 1.973 4 4 0 -10.8026838472274 2105445 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC2=C3C=CSC3=NC=N2 1 1.388 4 4 0 -12.7805375795022 2105426 COC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC(=O)NCC3=CC=CC=C3 1 2.619 4 4 0 -13.1355659560169 2105425 CC1=C(N=C(N=C1C)SCC(=O)NCC2=CC=CO2)C 1 1.99 3 2 0 -14.0881863085129 2105421 CC1=CC(=CC=C1)N2C(=NN=N2)SCC(=O)C3=C(N(C(=C3)C)CC4=CC=CO4)C 1 3.898 5 2 0 -16.7782798450759 2105417 CC1=CC(=C(C=C1)SCC(=O)NC(=O)NCC2=CC=CC=C2)C 1 3.767 2 2 -8.96823333530482 2105398 C1COC2=C(O1)C=CC(=C2)SCC3=NN=C(O3)C4=CC=CC=C4 1 3.233 2 3 -3.27841573976268 2105395 C1=CC(=CC=C1CCNC(=O)CSC2=CC=C(C=C2)F)Cl 1 4.206 1 1 -5.45846341166721 2105377 C1=CC(=CC=C1CCNC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl)Cl 1 4.722 3 1 -7.65114713847728 2105373 CN(CCC#N)C(=O)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC 1 2.47 5 2 0 -10.938150370169 2105362 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)C4=CC=C(C=C4)F 1 2.113 6 2 0 -18.6852501187077 2105359 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=C)C 1 3.969 4 2 -25.2613971419813 2105353 CC1=CSC(=N1)NC(=O)C2=NC3=CC=CC=C3C=C2 1 2.509 3 1 -7.73961405965703 2105343 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4N5CCOCC5)OC 1 4.565 3 4 0 -10.3493394049587 2105342 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC=C3N4CCOCC4 1 2.933 3 2 -7.03988084503229 2105329 CC1=CC(=C(N1C)C)C(=O)COC2=C(C=C(C=C2)F)Br 1 3.614 1 2 -2.10485140155392 2105323 CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC(=O)COC 1 2.929 1 4 -10.1148676595421 2105319 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)C3=C(C(=C(N3)C)C(=O)C)C 1 4.404 2 6 0 -21.5492985308341 2105306 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NN=C(N3C)C4=CC=CC=C4 1 3.69 8 0 0 -6.32105910436725 2105295 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3CC3 1 2.336 4 1 -16.7795979076726 2105290 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3F 1 2.389 5 2 0 -20.4471566915068 2105230 CC1=CC=C(C=C1)C2=CSC(=S)N2CC(=O)OCC(=O)NCC3=CC=CO3 1 3.192 2 4 -13.2925712111903 2105246 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C 1 3.163 4 3 0 -9.21156597815179 2105249 C1COCCN1C(=O)COC2=NC=NC3=C2C=C(C=C3)Br 1 1.612 3 3 0 -3.80027494091373 2105283 CN1C(=NN=C1SCCOC2=CC=CC=C2Cl)C3=CC=NC=C3 1 3.554 4 1 -3.52856367548425 2105276 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3CCCCC3 1 3.552 2 5 0 -14.1210314979122 2105272 CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(ON=C3C)C)C4CCCC4)C 1 4.522 3 2 -27.3656229320325 2105224 CN(C)C1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)Cl 1 3.448 2 1 -8.82033887735177 2105201 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 4.957 3 5 0 -31.4967747219039 2105197 COC1=CC=CC=C1CNC(=O)COC(=O)/C=C/C2=CC=CS2 1 2.733 1 4 -14.2780556350028 2105184 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC=C(C=C2)Br 1 3.773 1 3 -7.18954448500734 2105183 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)C(C)(C)C 1 2.57 1 4 -13.2223523825599 2105177 CCN(CC)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 3.765 2 4 -12.7032670262786 2105155 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC 1 3.466 2 7 0 -31.8547263474822 2105146 CN(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 3.067 2 4 -8.88463610769595 2105144 CN(CC1=CC=CC=C1)C(=O)CN2C(=O)C3(CCCC3)NC2=O 1 1.366 3 3 0 -10.5813879114238 2105136 C1=CC(=CC=C1C(=O)N)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.011 3 5 0 -9.76376939329391 2105120 CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4 1 3.076 2 6 0 -9.76206140314371 2105102 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2C4CCCC4 1 3.832 4 3 0 -33.7740265913848 2105095 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C 1 3.867 4 3 0 -26.1775100382608 2105088 CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4 1 3.93 1 7 0 -8.11223092042528 2105080 CNC(=O)COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2OC)OC 1 1.332 2 7 0 -21.2177132108417 2105072 CC1=CC=C(C=C1)COC(=O)C2=CC(=C(C(=C2)OC)OC)NC(=O)C3=CC=CS3 1 4.46 1 5 -11.077577865331 2105065 CN(C)C(=O)COC(=O)C1=CC(=C(C(=C1)OC)OC)NC(=O)C2=CC=CO2 1 1.098 2 7 0 -14.5245591973669 2105046 CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 2.508 2 5 0 -9.86941004188238 2105037 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 3.926 2 4 -7.1145250257766 2105026 CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C 1 4.723 3 4 0 -30.9140118363816 2105000 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)N3CC(=O)NC4=CC=CC=C43 1 1.783 3 6 0 -23.3294149289102 2104995 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CC3=CSC=C3 1 1.03 2 4 0 -17.602468599563 2104974 CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC 1 2.474 4 5 0 -14.3537860161372 2104934 CC1=CC=C(O1)/C=C/C(=O)NC2=C(C3=C(S2)CCCC3)C#N 1 3.671 2 2 -16.8032686843477 2104930 C1=CC(=CN=C1)CN(CCC#N)C(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl 1 3.678 3 1 -6.47171589475337 2104900 CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=C3C=CSC3=NC=N2 1 2.83 3 2 -2.15405251746553 2104893 CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=C3C=CSC3=NC=N2 1 4.025 3 2 -2.57494388309784 2104891 C1C(=O)NC2=CC=CC=C2N1C(=O)CNC(=O)C3=CC=CC=C3Cl 1 1.351 3 3 0 -17.9035421625041 2104886 CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NN=C(N3CCOC)C4=CC=NC=C4 1 2.603 6 3 0 -12.8759429516686 2104885 CC(C)(C)C1=CSC(=N1)CN2C(=NC3=CC=CC=C3C2=O)CN(C)C 1 3.102 4 1 -3.40395351075763 2104820 CC(C)[C@@H](C(=O)NC1=C(C=CS1)C(=O)N)NC(=O)C2=CC=C(C=C2)OC 1 1.774 3 4 0 -20.5403813715759 2104814 CC1=C(C=C(C=C1)S(=O)(=O)NC2=C3C=CSC3=NC=N2)C 1 3.111 3 2 -4.50509605209395 2104794 C1CCN(CC1)C(=O)COC(=O)C2=CNC(=O)NC2=O 1 -1.014 3 5 0 -17.9191591244367 2104779 COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC(=CC=C2)SC)OC 1 2.924 1 6 0 -1.18132394507943 2104770 C1COCCN1C2=NC(=C(S2)/C=C(\C#N)/C(=O)NC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5 1 4.295 4 2 -9.07198726674388 2104765 CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NC=NN3 1 2.15 5 2 0 -10.7521964394115 2104741 CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F 1 4.554 3 2 1.04694090653433 2104726 CC(C)CCNC1=NCCCCC1 1 2.382 2 0 -9.49465540050274 2104722 CCCCOCCCNC1=NCCCCC1 1 2.062 2 1 -9.07873872513145 2104713 C1CC2=C(C1)SC3=NC=NC(=C23)NS(=O)(=O)C4=C(C=CC(=C4)F)F 1 3.476 3 2 -8.46506587116136 2104698 CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=C3C4=C(CCC4)SC3=NC=N2 1 3.757 3 2 -5.22229684635751 2104690 CN(C)CC1=NC2=CC=CC=C2C(=O)N1CC3=NC(=CS3)C4=CC5=CC=CC=C5O4 1 3.815 4 2 5.95378794367938 2104657 CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N 1 3.167 4 4 0 -12.1604647604853 2104656 CC1=NN=C(S1)SCC(=O)NCCN2C(=O)CSC2=O 1 0.236 4 3 0 -30.1045591567677 2104654 C1=CNC(=O)C(=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl 1 1.16 1 4 0 -8.63814314878991 2104651 COCCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=NC=C4 1 1.642 6 2 0 -15.3425662188784 2104638 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3C(=NC4=CC=CC=C43)C 1 3.366 3 3 -16.0181250180047 2104605 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C=C3)OCO4 1 3.323 1 6 0 -21.500399224992 2104603 C1=CC=C(C=C1)OCC(=O)NC2=NN=C(O2)C3=CC=C(S3)Cl 1 2.703 3 3 -3.9304139841697 2104591 CCCC(=O)NC1=NN=C(O1)C2=CC=C(S2)Cl 1 2.326 3 2 -8.19496360895611 2104579 CCC(=O)NC1=NN=C(O1)C2=CC=C(S2)Cl 1 1.87 3 2 0 -2.77266947430856 2104574 C1CC1C(=O)NC2=NN=C(O2)C3=CC=C(S3)Cl 1 1.961 3 2 0 -3.11263964715272 2104525 CC(=O)NC1=NN=C(O1)C2=CC=C(S2)Cl 1 1.203 3 2 0 -2.88671908641873 2104509 C1=CC=C(C=C1)CCC(=O)NC2=NN=C(O2)C3=CC=CS3 1 2.899 3 2 -10.8880000818152 2104499 C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NC3=NN=C(O3)C4=CC=CS4 1 3.969 3 3 -6.18902385583487 2104486 COCCN1C(=C(C(=O)NC1=O)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N 1 0.698 4 6 0 -23.6454389953823 2104479 CS(=O)(=O)NC1=CC=C(C=C1)C2=NN=C3N2CCCCC3 1 1.664 4 2 0 -7.3707093103294 2104470 COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC=CC=C2SC)OC 1 2.924 1 6 0 -8.81707816135162 2104462 CC1=NN(C(=C1)NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.951 3 2 -5.97759299915098 2104460 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN=C(O4)C5=CC=CS5 1 4.542 4 2 -8.40041125118349 2104451 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=NN=C(O2)C3=CC=CS3 1 3.351 3 2 -4.60288498586139 2104440 C1=COC(=C1)C(=O)NC2=NN=C(O2)C3=CC=CS3 1 1.804 3 3 0 -6.84886301714534 2104373 CCN1C(=NN=C1SCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)C3=CC=CS3 1 3.723 4 2 -14.0394969185717 2104363 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4 1 4.399 4 3 0 -13.1837426371486 2104362 C1COCCN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC(=O)NC5=CC=CC=C54 1 1.774 5 4 0 -27.259432585516 2104350 CC1=CC(=C(N1CCC2=CC=C(C=C2)Cl)C)C(=O)CSC3=NC(=O)C=C(N3)N 1 3.65 4 2 -14.3935487789415 2104338 C1=CC=C2C(=C1)C(=NC=N2)OCC3=NN=C(O3)C4=CC=CC=C4Br 1 3.735 4 2 -2.69415975133448 2104328 CN1C(=NN=N1)SCC(=O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 0.626 6 4 0 -23.7781054671741 2104326 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)C 1 2.587 2 6 0 -12.6776226223697 2104316 C[C@@H](C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=C(C=C2)Br 1 1.619 3 4 0 -18.7171970891663 2104283 C1CN(CCC1=O)C(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 0.937 2 4 0 -12.8601841856753 2104277 CC1=CC(=C(C=C1)S(=O)(=O)NCCCN2CCOCC2)C 1 1.602 2 3 0 -6.35838731823024 2104271 CC(C)(CNS(=O)(=O)C1=CC=C(S1)Cl)CN(C)C 1 2.039 2 2 -1.74557692343209 2104239 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC(C)C)N 1 1.538 7 4 0 -21.1505426931727 2104234 CN(C)C(=O)COC(=O)/C=C/C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3 1 3.545 3 3 2.38504170443193 2104232 C1COC2=C(O1)C=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 2.547 2 5 0 -10.6072211120252 2104230 COC1=CC(=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)O)OC 1 1.658 3 5 0 -8.23615747783539 2104221 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN=C(C=C3)Cl 1 2.037 3 3 -21.2054786128376 2104199 C1=CC(=CN=C1)CNS(=O)(=O)C2=CC=C(S2)Cl 1 1.419 2 2 0 -1.39890956870576 2104180 CC1=CC(=C(C=C1NC(=S)NC2=C(C(=CC=C2)Cl)C)OC)OC 1 5.97 2 2 -5.82666782667851 2104149 C1=CC=C2C(=C1)C(=NC=N2)OCC(=O)NCCC3=CC=C(C=C3)F 1 3.08 3 2 -4.7902591152824 2104143 CN(CCC#N)C(=O)COC(=O)C1=C(C=C(C=C1)Cl)O 1 1.352 2 4 0 -9.2017247906546 2104138 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 1.748 3 4 0 -16.8573297816339 2104133 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)CSC2=NN=C3N2C=CC=C3)N 1 2.288 7 3 0 -23.1153438380369 2104131 CCCN1C(=O)NN=C1SCC(=O)NCC2=CC=C(C=C2)F 1 2.338 4 2 -19.5431895777657 2104100 CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)CSC3=NN=CN3C)C4=CC=CC=C4)C)C 1 4.876 6 1 0 -15.1516491356976 2104090 CC1=CC=C(C=C1)C2=NN(C=C2NC(=O)CCl)C3=CC=CC=C3 1 4.142 3 1 5.73949550207376 2104089 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)NC(=O)CCl 1 3.861 3 1 6.45137252753901 2104088 CC1=CC=C(C=C1)C2=NN(C=C2NC(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 5.274 3 1 5.25055905611173 2104084 CC1=CC=C(N1C2=NC=NN2)C 1 1.298 4 0 0 -4.92911540412336 2104082 CN1CCN(CC1)C2=C(C=C(C=C2)Cl)N 1 1.867 3 0 0 6.56197016705766 2104074 CCN1C2=C(C=C(C=C2)C(=O)O)NC1=S 1 2.868 2 2 -4.28320982575666 2104065 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC=CC=C2 1 2.646 2 2 -13.7948270532749 2104060 CCOC(=O)C1=CC(=O)N2C(=NC(=N2)C3=CC=CC=C3F)S1 1 2.757 3 3 -7.35020088592009 2104057 CCN(CC)C1=C(C2=C(C(=S)N(C(=C2C(=N1)N)N)C3=CC=CC=C3C)C#N)C#N 1 3.24 7 0 0 -5.4232711733479 2104053 C1COCCN1CCNC(=O)CC2=NC(=CS2)C3=CC=C(S3)Br 1 2.229 3 2 -5.87100663561084 2104019 C1=CC=C(C(=C1)NC2=CC(=NN2CCC#N)C3=CC=C(C=C3)Cl)NC(=O)C(F)(F)F 1 4.953 5 1 -4.08697720477824 2104018 C1=CC=C(C(=C1)NC2=CC(=NN2CCC#N)C3=CC=C(C=C3)Br)NC(=O)C(F)(F)F 1 5.037 5 1 -5.54363694987968 2104017 C1=CC=C(C=C1)C2=NN(C(=C2)NC3=CC=CC=C3NC(=O)C(F)(F)F)CCC#N 1 4.288 5 1 -6.55190530869267 2103995 CC(C)N(CC(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)C(=O)CCl 1 3.081 2 2 -9.84368645557083 2103992 CCN1C2=C(C=C(C=C2)C(=O)O)N=N1 1 1.619 3 2 0 -7.43957718304067 2103959 CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CCl 1 2.408 2 2 -9.00044813290545 2103886 COC1=CC=C(C=C1)C(=O)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4 1 3.872 4 4 0 -11.6421608830738 2103876 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C 1 4.591 2 4 -7.67756129006192 2103853 C1=CC(=CC(=C1)C(F)(F)F)C2=NN(N=N2)CC(=O)NC(=O)NCC3=CC=CO3 1 2.052 6 3 0 -1.59460780214871 2103845 COC1=CC=CC=C1OCCC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F 1 3.342 1 5 -10.9904003663348 2103844 COC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC(=CC(=C2)OC)OC)Cl 1 2.289 2 5 0 -14.2710985438041 2103822 C[C@@H](C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=CC=C2Cl 1 1.856 3 4 0 -18.5433452696989 2103808 C1=CC=C2C=C(C=CC2=C1)NC(=O)CSC3=CC=NC=C3 1 2.765 2 1 -3.7151949609782 2103800 CC1=C(C=CC(=C1)Cl)OCC(=O)N[C@@H](CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3 1 5.356 3 2 0.476552029725757 2103782 CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 3.815 1 5 -6.48562301001032 2103776 C1=CC(=CC(=C1)OC(F)F)C(=O)NCC(=O)NC2=CC=C(C=C2)Cl 1 3.144 2 3 -8.44733034768251 2103750 CN1C(=NN=N1)SCC(=O)NCCC2=CC=C(C=C2)Cl 1 1.852 5 1 0 -20.6756899781022 2103749 C1=CC(=C(C=C1Cl)Cl)CCNC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 3.077 2 2 -10.2489533803588 2103737 CC1=NN=C(S1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 1.321 4 2 0 -19.8736912283513 2103682 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC(=O)C4=CC=CC=C4O3 1 2.549 2 5 0 -8.29043704666665 2103679 CCOC1=C(C=CC=N1)C(=O)OCC2=CC=C(O2)C(=O)OC 1 2.318 1 6 0 -10.6837012203484 2103678 CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C 1 2.827 5 3 0 -23.509229503242 2103651 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)COC(=O)C3CC3 1 3.407 1 3 -10.3418409471015 2103635 C1CN(CCN1C(=O)C2=CC(=CN=C2)Br)S(=O)(=O)C3=CC=CC=C3 1 1.426 3 3 0 -18.2496242724906 2103632 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=NC4=CC=CC=C4C=C3 1 3.376 3 3 -7.98403986266352 2103615 CCC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-] 1 3.049 3 4 0 -7.71185113519115 2103535 C1=CC=C2C(=C1)C=CC=C2OCC(=O)OCC(=O)NCC(F)(F)F 1 2.496 1 4 -14.8262366634548 2103541 CC1=C(C(=NN1CC(=O)C2=CC(=CC=C2)Cl)C)[N+](=O)[O-] 1 2.722 3 3 -2.02221264031474 2103544 CC(C)N1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC 1 4.978 4 1 -2.57974952520459 2103554 CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)OCC3=C(ON=C3C)C 1 3.557 2 3 -16.245166574304 2103579 CN(CC1=CC=CC=C1)C2=C3C=CSC3=NC=N2 1 3.396 3 0 -1.95530616248483 2103520 CCC(CC)C1=NN=C(S1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl 1 3.363 4 2 -19.555173415399 2103499 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 0.3 4 4 0 -14.7236461732845 2103461 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=CC=C2)Cl)N 1 2.098 3 5 0 -15.3456653843577 2103436 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)OCCOC3=CC=C(C=C3)F 1 3.972 1 5 -13.8561199793719 2103434 C1CN(CCN1C2=NC=CC=N2)C(=O)COC3=CC=C(C=C3)Cl 1 1.495 4 2 0 -0.695310697035306 2103410 CN1C=NN=C1SCC2=CC=C(O2)C3=CC=C(C=C3)Br 1 3.806 3 1 -6.28228982436604 2103402 C1CN(CCN1C(=O)CNC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CS3 1 1.338 3 4 0 -21.1483796413152 2103400 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F 1 4.058 2 3 -9.55177094114786 2103390 CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=NC=CN=C3)C 1 2.658 4 1 -1.29748927952385 2103384 C1=CSC(=C1)CNC(=O)C2=CC(=C(N=C2)Cl)Cl 1 2.748 2 1 -9.01706901535283 2103374 C1=CC=C(C=C1)/C=C/S(=O)(=O)NCCC2=CC=CC=N2 1 1.579 2 2 0 1.50230075753454 2103362 CN(C)C(=O)CSC1=NN=C(O1)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4 1 3.564 4 2 -14.2459912150274 2103346 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(O4)COC(=O)C5=CC=C(C=C5)O)OC 1 4.619 3 6 0 -8.24017425461171 2103345 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(O4)COC(=O)C5CC5)OC 1 3.955 3 5 0 -13.7160975213474 2103273 CC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC=CC=C3 1 2.794 2 2 -4.95324463734728 2103250 CC(C)CNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)N2CCCC2 1 1.677 3 5 0 -19.0564951389692 2103240 CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=C(C=C(C=C3)OC)OC 1 2.196 3 6 0 -17.6295892412647 2103238 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CC2 1 0.97 1 3 0 -11.8382232669625 2103225 CC1=CC(=C(C(=C1)C)NC(=O)CCCOC(=O)C2=COCCO2)C 1 2.263 1 5 -13.9254317372368 2103217 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C=CC=N3 1 4.201 2 1 -3.22975972783077 2103200 CCCCNC(=O)N(CC)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N 1 1.262 5 3 0 -11.2937295224239 2103199 CCCCNC(=O)NC1=NC2=C(S1)C=C(C=C2)CC 1 3.842 3 1 -6.20561504472402 2103196 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)NC3=CC=CC=C3OC 1 1.493 5 4 0 -9.92081974567621 2103195 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2=CC=C(C=C2)Cl 1 3.255 2 3 -5.07785322117835 2103187 CCOC(=O)CNC(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C 1 3.182 4 3 0 -12.8086991152706 2103181 CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)NC3=CC=CC=C3OC 1 4.679 2 4 -9.62872614906659 2103176 COC1=CC=CC=C1NC(=O)NN2C=NN=C2 1 0.125 5 2 0 -8.98338076174276 2103175 COC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CCCCC3 1 3.139 4 2 -32.4883141128151 2103172 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.297 3 3 -5.39152810292589 2103170 COC1=CC=CC=C1NC(=O)NC2=NC=C(C=C2)Br 1 2.643 3 2 -9.48367985074139 2103165 CCCCNC(=O)NC1=CC=NN1C2CCCCC2 1 2.907 4 1 -34.3775577804439 2103155 CCCCNC(=O)NC1=NC=C(C=C1)Br 1 2.411 3 1 -11.3729235183702 2103134 C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=NC5=CC=CC=C5O4 1 2.507 5 2 0 -2.77045444091423 2103131 C1CCC(C1)C2=NN(C(=C2)N)C3=CC=CC=C3 1 3.387 3 0 0.824950269866157 2103114 CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=COCCO2 1 1.255 0 6 0 -9.98715906534752 2103022 CC1=CC(=C(C=C1)C)C=NN2C=C(NC2=S)C3=CC=CC=C3 1 4.379 3 0 0.689771609742379 2103020 COC1=CC=C(C=C1)NCC(=O)NN=CC2=CC3=C(C=C2)OCCO3 1 2.113 3 4 0 -11.9841896221111 2103017 CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)/C(=C/C2=CC=CC=C2OC)/C3=CC=CC=C3 1 4.414 2 4 -9.92190680850579 2102998 CCC(C)(C)NC(=S)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C 1 6.462 3 0 0.313949036575304 2102986 CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C(C)(C)C 1 5.333 5 3 0 -23.6834761756454 2102981 COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N 1 2.772 2 5 0 -16.2483886836308 2102980 CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=CC2=O 1 3.079 2 2 -0.954975525736261 2102943 C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N 1 0.893 4 5 0 -12.2324772638573 2102937 COC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2)NS(=O)(=O)C4=CC=C(C=C4)F 1 4.199 2 4 -5.36183143056576 2102890 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.342 3 8 0 -14.7434597976123 2102877 C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N(C(=O)C2=O)CC(=O)NC4=C(C=CC(=C4)F)F 1 3.758 3 3 -0.445397528762184 2102875 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC(F)F 1 3.961 1 2 -5.32697748450576 2102874 CC1=CC(=C(C=C1)C(=O)NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4)O 1 3.292 3 3 -1.39746579213497 2102842 CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)CSC4=NN=C(O4)C5=CC=CO5 1 3.816 3 5 0 -12.3073299453335 2102837 C1CCC(CC1)NC(=O)NC(=O)CSC2=NN=C3N2C=CC=C3 1 2.386 5 2 0 -18.6567392047224 2102834 C1CC1NC(=O)COC(=O)C2=CC=CC=C2OCC3=CC=CC=C3Cl 1 3.466 1 4 -11.3773486088176 2102825 CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.189 3 5 0 -16.5222461007163 2102817 CC1=CC(=C(O1)C)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N 1 -0.363 3 6 0 -19.402206756105 2102769 CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2 1 3.268 2 3 -16.2354150841355 2102767 CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC)C3=CC=C(C=C3)F 1 2.491 3 3 -12.170719431825 2102715 C1=CC=C(C(=C1)C(=O)N)OCCOC2=CC=C(C=C2)Br 1 3.196 1 3 -2.2931113516632 2102703 C1CN(CCN1C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.613 3 8 0 -19.7531487207939 2102682 CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)COC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 5.184 1 4 -11.496317488185 2102658 COC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCC3 1 4.01 2 3 -19.3444309617023 2102647 C1CC1NC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 1.414 2 5 0 -17.715582086765 2102643 CCC1=C(SC(=C1C(=O)OCC)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C)C 1 4.093 5 4 0 -28.0493533073849 2102636 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.765 2 7 0 -17.6164834260608 2102610 COC1=C(C=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SC)OC 1 3.784 2 3 -10.5790857516114 2102585 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CC3=CC(=C(C(=C3)OC)OC)OC 1 3.511 2 6 0 -7.11090776984518 2102584 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(O2)Br 1 2.329 2 3 -9.21808506523874 2102567 CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC=CC=C43 1 3.579 3 2 -16.756335060251 2102550 CC1=C(C(=NO1)C)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)F 1 3.896 3 3 -12.3850987809675 2102546 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=O)NC4=CC=CC=C43 1 2.239 3 3 -7.27377651786887 2102534 CC1=CN=C(S1)NC(=O)CCC2=CC=CC=C2OC 1 2.231 2 2 -11.2256948685634 2102526 CC1=CN=C(S1)NC(=O)COC2=CC=CC3=C2OC(C3)(C)C 1 2.233 2 3 -9.1336533621507 2102522 COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SC 1 3.767 2 4 -10.2079117356502 2102520 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)OCC4=C(ON=C4C)C)OC 1 4.159 3 4 0 -14.3679223382529 2102515 COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.861 2 7 0 -27.2752284706106 2102508 CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.758 3 3 0 -26.4732978216196 2102506 CC1=CN=C(S1)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4 1 3.297 4 1 -7.88708378283432 2102503 CC1=CN=C(S1)NC(=O)CC2=CC=CC=C2F 1 1.997 2 1 0 -8.00395014601938 2102500 CC(C)[C@@H](C(=O)NC1=NN=C(S1)C2CC2)NC(=O)C3=CC(=CC(=C3)OC)OC 1 2.461 4 4 0 -22.5506196357331 2102496 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC3=CC=CC4=C3OC(C4)(C)C)C 1 4.321 2 3 -3.39988030419451 2102480 CC1=CN=C(S1)NC(=O)CCCSC2=NC3=CC=CC=C3S2 1 3.345 3 1 -9.2422920876364 2102477 COC1=CC=CC(=C1)CC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F 1 3.988 2 2 0.852515062831304 2102472 COC1=C(C=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F)OC 1 3.971 2 3 -3.44063822633578 2102471 CC1=CN=C(S1)NC(=O)C2=CN=C(C=C2)Cl 1 1.48 3 1 0 -6.94503710402743 2102463 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=NC4=CC=CC=C4C=C3 1 4.021 3 2 -4.63656856778638 2102452 C1CCC(CC1)CNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 2.237 2 4 -22.368631207006 2102451 CCC1=CC=CC=C1NC(=O)CCCSC2=NC3=CC=CC=C3S2 1 5.145 2 1 -10.9318251492213 2102404 C=CCSC1=NN=C(S1)NC(=O)COC2=CC=CC=C2 1 2.624 3 2 -17.0383660568847 2102399 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4)C 1 3.929 3 1 -0.436801379217942 2102398 C1COC2=C(O1)C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)Cl 1 3.393 1 3 -8.12592099697181 2102395 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4N3 1 3.877 4 2 -6.75182984682508 2102393 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5 1 4.943 3 2 -4.48570162232224 2102383 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=NC3=CC=CC=C32)C 1 2.826 3 2 -6.60274393386531 2102370 C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.129 2 6 0 -26.245040632315 2102357 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=NOC(=C2)C)C 1 1.195 3 6 0 -21.6513951203745 2102354 CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=CC=CC=C3 1 4.388 5 1 -4.81371238183127 2102350 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC(=C(C(=N2)C)C)C 1 2.881 3 2 -12.9584858291187 2102349 CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=CC=C(C=C3)NC(=O)C 1 3.662 2 2 -9.68610045455416 2102343 C1=CC=C(C=C1)C(=O)CCCSC2=NC(=O)C3=CC=CC=C3N2 1 3.856 2 2 -11.7267184290745 2102332 C1=CC=C(C(=C1)CC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F)F 1 4.21 2 1 -2.3865486947768 2102328 C1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC=CS3 1 3.546 2 1 -3.33543824578345 2102315 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=N3 1 1.592 3 3 0 -20.0134614547994 2102311 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC=C 1 3.482 4 3 0 -26.229806672981 2102305 C1=CC=C(C=C1)NC(=O)COC2=CC=CC3=C2N=CC=C3 1 2.636 2 2 -9.88332186297628 2102301 CC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC(=CC=C3)F 1 3 2 2 -2.36891047148417 2102300 CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC(=CC=C3)OC 1 2.977 2 2 -4.93660776730132 2102299 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C4=CC=CC=C4)Cl 1 4.317 3 3 -12.5215990636763 2102277 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3 1 2.585 3 4 0 -9.65478521269172 2102260 COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)CSC2=NN=C3N2C=CC=C3 1 2.229 5 3 0 -18.0275339878125 2102259 C1C(=O)N(C(=O)S1)CCNC(=O)CSC2=NN=C3N2C=CC=C3 1 0.817 5 3 0 -28.8983934619214 2102222 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCC(=O)NC3=CC=CC=C3Cl 1 2.2 3 4 0 -13.792632449775 2102209 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NN3 1 2.078 5 3 0 -19.5533931599 2102208 CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3CC3 1 1.746 5 1 0 -15.0697221530719 2102207 CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)CSC3=NC4=CC=CC=C4S3 1 4.548 4 3 0 -5.7030513902124 2102202 C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br)Cl 1 3.041 3 5 0 -17.5361243944549 2102160 CCOC(=O)C1=CC(=NC2=C1C(=NN2C)C)C3=CC=C(S3)Cl 1 3.574 3 2 -2.52602819265267 2102154 CC1=CC(=C(C=C1)O)C(=O)C2=CN=C3C(=C2)C(=C(C(=O)N3C)C#N)C4=CC=C(C=C4)F 1 4.018 3 3 1.03671926389913 2102089 COC1=C(C=C2C(=C1)C(=O)N(C(=N2)COC3=CC=C(C=C3)C#N)CC#N)OC 1 2.111 4 4 0 -6.86350664203159 2102041 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 0.953 2 6 0 -14.1393297604423 2101960 COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)C#N)C#N 1 3.487 4 2 -9.90729258742007 2101868 C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)CCO)OCC4=CC=C(C=C4)C#N 1 4.334 4 2 -2.83997776962409 2101805 CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)CCO)N3N=C4C=CC=CC4=N3)C 1 4.481 4 3 0 -6.22153462228332 2101798 C1=CC(=CC=C1NC(=O)CSC2=CC=NC=C2)S(=O)(=O)NC3=NC=CS3 1 1.342 4 3 0 -11.7246935021063 2101789 CCN(CC)C(=O)C1=C(C2=C(S1)N=C(NC2=O)C3=CC=NC=C3)C 1 2.018 4 2 -17.4997155743099 2101788 COC1=CC=CC(=C1)NC2=C3C4=C(CCCC4)SC3=NC(=N2)CN5CCOCC5 1 4.217 4 2 -6.42762056892398 2101786 CCN(CC)C(=O)C1=C(C2=C(S1)N=C(NC2=O)C3=CC=CC=N3)C 1 2.447 4 2 -17.4707765443998 2101738 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC(=O)NCC3=CC=CO3 1 0.789 5 4 0 -12.7260477766182 2101735 CC(C)N(C(C)C)C(=O)CSC1=NC=NC2=C1C=C(S2)C3=CC=CC=C3 1 4.721 3 1 -10.7132473757839 2101716 C1=CC(=CC2=C1C=CC(=O)O2)OC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-] 1 2.356 2 6 0 -8.26639118745872 2101712 C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=C(N=CC=C3)Cl)C4=CC=CC=C4 1 2.67 4 3 0 -8.06648703275896 2101697 CC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)NC3=CC=CC(=C3C)C 1 5.062 2 1 -1.34555913115022 2101692 C1=CC(=CC=C1OCCN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])Cl 1 3.147 3 4 0 -0.754974833884247 2101690 CC(C)(C)NC(=O)NC(=O)CN1CCCC2=CC=CC=C21 1 2.294 3 2 -18.3852489401978 2101672 C1CC2=CC=CC=C2N(C1)CC(=O)NC(=O)NCC3=CC=CO3 1 2.128 3 3 -16.8514553099659 2101664 C1CCCN(CC1)CC(=O)NC2=C(C(=C(C=C2)F)F)F 1 2.946 2 1 -4.78419330069942 2101650 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C 1 3.041 4 2 -6.12017349101177 2101631 CC1=CC(=CC=C1)OCCC(=O)NC2=C(C=CC(=C2)OC)OC 1 3.151 1 4 -7.34235077274343 2101619 COC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SC)OC 1 2.512 2 3 -14.9687602743268 2101616 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 2.922 2 2 -4.55132965207054 2101615 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5 1 3.322 3 4 0 -11.1456568018714 2101612 CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC4=C(C=C3)OCCO4 1 2.779 2 3 -7.65543550734523 2101610 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC3=CC4=C(CCC4)C=C3)C 1 4.738 2 2 -0.947018390832204 2101602 CC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC=C(C=C3)C(=O)C 1 2.534 2 3 -8.17969315617515 2101588 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=CC=C(C=C2)Cl 1 3.398 1 3 -15.3605769582106 2101583 CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C 1 1.929 3 4 0 -18.9312941190828 2101505 C1=CC=C(C(=C1)NC(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Cl)F 1 3.233 4 2 -1.21389440461073 2101504 CCCCNC(=O)NC1=NN=C(O1)C2=CC=C(C=C2)OCC 1 2.448 4 3 0 -8.16289042101299 2101497 CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCN(CC2)C 1 1.939 2 2 0 -10.676339072135 2101471 CC1=CC=CC=C1C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 3.911 2 3 -5.73964956519431 2101446 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NCCS2 1 2.483 3 3 -13.0004144818058 2101434 CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NCCN2C(=O)/C(=C/C3=CN=CC=C3)/SC2=O)[N+](=O)[O-] 1 1.274 4 7 0 -18.356090070527 2101284 COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCC(CC3)CC4=CC=CC=C4)OC 1 3.46 3 3 -1.44274381650355 2101276 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCN3C(=O)CSC3=O)C4=CC=CC=C4F 1 3.806 5 3 0 -24.094413512841 2101266 CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCOCC3)Cl 1 2.771 1 3 -5.29752324453823 2101243 CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCCCCC3 1 1.834 4 3 0 -8.54448550767781 2101223 C1=CC=C(C(=C1)C#N)OCC2=NN=C(O2)C3=CC=CC=C3Br 1 3.516 3 2 -7.75777838426432 2101222 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 2.293 4 2 -6.37695339024152 2101221 COC1=CC=CC(=C1)CC(=O)NCC2(CCCCC2)N3CCCCC3 1 3.826 2 2 -10.4640134728222 2101204 CC1=CC(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)C 1 2.511 3 2 -3.86767324025356 2101200 C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 3.668 3 5 0 -10.5554097522548 2101190 CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.529 4 4 0 -25.5896004133172 2101183 CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C 1 1.922 3 6 0 -19.6492017326682 2101129 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NC(=O)C=C(N3)N 1 1.846 4 3 0 -14.69693136801 2101123 C1=CC=C2C=C(C(=CC2=C1)C(=O)NN=CC3=CC=C(O3)C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)O 1 3.784 5 5 0 -2.68517011248436 2101118 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=S)NC3=CC=CC(=C3)C(F)(F)F 1 6.65 2 0 -5.62320976950844 2101073 C1CC(=NC1)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.36 3 2 0 -5.30588566868816 2101070 C1CCC(=NCC1)NCC2=CN=CC=C2 1 1.235 3 0 0 -7.42813486538528 2101068 C1CC(=NC1)NCC2=CN=CC=C2 1 0.322 3 0 0 -6.82461777082487 2101061 CC1=CN=C(S1)NC2=NCCC2 1 0.608 3 0 0 -3.76603315067483 2101059 C1=CC=C(C=C1)N2C3=C(C(=C(S3)C(=O)C4=CC=C(C=C4)Cl)N)C(=O)NC2=O 1 3.747 3 3 -3.68947523890135 2101058 C1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N(C(=O)NC3=O)C4=CC=CC=C4)N 1 3.082 3 3 -6.60015295904576 2101054 CC(=O)C1=CC=C(C=C1)N2C3=C(C(=C(S3)C(=O)C4=CC=C(C=C4)Cl)N)C(=O)NC2=O 1 3.487 3 4 0 -6.69364257655738 2101049 CC1=CC=CC=C1N2C3=C(C(=C(S3)C(=O)C4=CC=C(C=C4)Cl)N)C(=O)NC2=O 1 4.233 3 3 -4.49260013985448 2101021 CC1=NC(=C2C3=C(CCC3)SC2=N1)NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C 1 2.142 4 3 0 -14.0050730515628 2101019 CC1=CC=CC=C1S(=O)(=O)NC2=C3C4=C(CCC4)SC3=NC(=N2)C 1 3.507 3 2 -11.1521653103757 2101017 C1=CC(=CC=C1C2=CSC3=NC=NC(=C23)NS(=O)(=O)C4=C(C=CC(=C4)F)F)F 1 4.273 3 2 -2.19582811826953 2101015 CC1=C(SC(=N1)N2CCCCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.159 3 3 -5.55743220962268 2101014 C1CCC2=C(C(=O)N(C(=S)N2CC1)C3=CC=CC=N3)C#N 1 3.166 4 1 -9.86702719296844 2100998 COC1=CC=CC=C1NC(=O)COC(=O)C2=CNC(=O)NC2=O 1 -0.576 3 6 0 -19.6341164595518 2100977 C1CC(=NC1)NCC2=CC=CC=N2 1 0.537 3 0 0 -5.00452172054101 2100975 CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=C(SC3=NC=N2)C)C 1 3.256 3 2 -3.31184075557837 2100965 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CNC(=O)NC2=O 1 -0.666 4 7 0 -18.2294643950767 2100962 CN(C1CCCCC1)C(=O)COC(=O)C2=CNC(=O)NC2=O 1 -7.2e-002 3 5 0 -17.9982970754714 2100953 CC(C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 1 2.468 5 2 0 -18.051248806468 2100938 CCCN1C(=C(C(=O)N(C1=O)C)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C)N 1 0.859 4 5 0 -13.2229117840454 2100933 CC1=NN(C2=C1C(=CC(=N2)C3=CC=NC=C3)C(=O)N4CCOCC4)C5=CC(=CC=C5)Cl 1 3.149 5 2 0 -2.33635877628605 2100932 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CNC(=O)NC2=O)Br 1 0.188 3 5 0 -17.6536856935382 2100927 COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CNC(=O)NC2=O)OC 1 -0.586 3 7 0 -24.7616054348238 2100921 CC(C)CN1C(=C(C(=O)N(C1=O)C)C2=NC(=C(S2)C(=O)C3=CC=CC=C3F)C(C)C)N 1 4.026 4 3 0 -10.7054810926632 2100904 CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)Br)C(F)(F)F)CCC4=NNN=N4 1 4.217 7 0 0 0.662180565041721 2100902 CC1=CSC(=N1)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F 1 4.571 4 1 -1.99827659498982 2100891 C1C(=C(N(C1=O)C2=CC=C(C=C2)OC3=CC=CC=C3)N)C#N 1 2.205 3 2 -3.27794836814438 2100890 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CNC(=O)NC2=O 1 -0.746 4 7 0 -26.1863679437867 2100887 CC1=CC=CC=C1NC(=O)COC(=O)C2=CNC(=O)NC2=O 1 -7.4e-002 3 5 0 -18.7381374366239 2100886 CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=O)NC(=O)N2)C 1 0.682 3 5 0 -16.391640122126 2100885 CSC1=CC=CC=C1NC(=O)COC(=O)C2=CNC(=O)NC2=O 1 -1.8e-002 3 5 0 -21.8062315422224 2100870 CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC4=CC=CC=C4F 1 4.502 4 0 -6.66287474713523 2100863 C1CC(=NC1)NC2=CC(=CC=C2)OC3=CC=CC=C3 1 3.026 2 1 -0.368186966883449 2100862 C1CC(=NC1)NC2=CC=CC=C2C(F)(F)F 1 2.408 2 0 -3.19491454286025 2100860 CC1=C(C(=CC=C1)C)NC2=NCCCCC2 1 3.351 2 0 -5.20425234677174 2100855 CC1=CC(=NC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl 1 3.799 2 2 1.55569054289711 2100853 CCC(=O)OCC(=O)NC1=C(C=C(C=N1)C(F)(F)F)Cl 1 2.319 2 3 -1.88937535404093 2100848 CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=O)NC(=O)N2 1 0.904 3 5 0 -16.8022961757322 2100839 CCCN1C2=C(C(=CC(=N2)C3=CC=CS3)C(=O)OCC)C(=O)NC1=O 1 3.136 3 4 0 -11.6740613668582 2100811 CC1=C(C(=NN1C2=CC=CC(=C2)C(=O)O)C)OC3=CC=CC=C3O 1 3.432 2 4 2.48863938990848 2100759 C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC(=C(S3)Br)Br 1 2.896 2 2 -11.2709049122245 2100758 CC1=C(SC=C1)C(=O)N2CC(=O)NC3=CC=CC=C32 1 2.066 2 2 -14.633880990045 2100740 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)CCCN3CCOCC3)C 1 2.155 3 4 0 -10.8923054565292 2100730 C1=CC(=C(C=C1C(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)N3)Cl 1 1.474 3 5 0 -13.4836142910999 2100728 C1=CC(=CC=C1/C=C/C(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.278 3 5 0 -10.653591945048 2100716 CCN(CC)C1=NC(=C(S1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C 1 4.355 4 2 -5.45824082893513 2100710 C1CCC2=C(C(=O)N(C(=S)N2CC1)C3=CC=CC=C3[N+](=O)[O-])C#N 1 3.672 4 3 0 -10.3699137165061 2100692 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CNC(=O)NC2=O 1 -0.553 3 5 0 -20.9325826483217 2100676 C1=CC=C(C=C1)NC(=O)COC(=O)C2=CNC(=O)NC2=O 1 -0.56 3 5 0 -16.330098799005 2100670 CC(=O)NC(=S)C1=C(N(C(=O)N(C1=O)C)CC2=CC=CC=C2)N 1 0.615 4 3 0 -9.20893096295289 2100664 CCOC(=O)C1=CC(=NN1CCC#N)C2=CC=C(O2)C 1 2.441 3 3 -4.68850979859153 2100651 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)N3)C(=O)O 1 0.81 3 5 0 -14.5672644381475 2100649 CCS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)C 1 1.205 1 4 0 -8.99649306328133 2100644 C1CCC2=C(C(=O)N(C(=S)N2CC1)C3=CC=C(C=C3)OC(F)F)C#N 1 4.583 3 2 -7.80431347003587 2100623 CC1=C(C=C(O1)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3)C(=O)OC 1 2.013 1 8 0 -20.284760531185 2100619 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br 1 0.793 3 5 0 -21.7313214623139 2100586 C1=CC(=C(C(=C1)F)C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)F 1 1.595 3 4 0 -18.1076479460403 2100575 CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC(=O)NC3CC3)[N+](=O)[O-] 1 1.359 5 5 0 -23.8038914642825 2100528 CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 2.044 4 4 0 -22.2093947328895 2100511 CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C)C)C 1 5.144 3 4 0 -19.2483873687624 2100500 CC1=C(C=CC=C1Cl)NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 2.94 2 2 -5.13878399209456 2100473 C1=CC=C(C=C1)C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)NN=CC4=CC(=CC=C4)[N+](=O)[O-] 1 5.663 3 4 0 -5.74763936877964 2100457 C1=CC2=C(C=C1NC(=O)COC(=O)C3=C(C=C(C=C3)F)F)NC(=O)N2 1 1.595 3 4 0 -14.4692253802166 2100449 COC1=CC=C(C=C1)NC(=O)COC(=O)CNC(=O)C2CCCCC2 1 1.827 2 5 0 -11.9575189328852 2100448 C1CCC(CC1)C(=O)NCC(=O)OCC(=O)NC2=CC=C(C=C2)C#N 1 1.722 3 4 0 -14.2413348220468 2100447 C1CCC2=C3C(=NN(C3=O)C4=CC=CC=C4)N=C(N2CC1)SCC(=O)NCCCC5=CC=CC=C5 1 3.979 5 2 0 -24.9849733459637 2100439 CN1CC(=O)N(C1=O)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 1.494 3 3 0 -10.7436035986256 2100428 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NNC(=N4)N 1 2.639 5 3 0 -6.76701493313128 2100389 C1C(=O)N(C(=O)S1)CCNC(=O)COC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4 1 2.282 4 4 0 -17.1280384358258 2100313 CC1=C(C(=NN1CC(=O)NCCCC2=CC=CC=C2)C)[N+](=O)[O-] 1 2.223 4 3 0 -16.3926258957329 2100312 COC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC(=O)N4C=CSC4=N3 1 2.148 5 2 0 -20.1785328394133 2100304 CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCC4=CC(=C(C=C4C3)OC)OC)C(C)C 1 5.239 1 4 -12.1677278281071 2100298 C1CCC(C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 2.634 2 5 0 -13.0432033482111 2100289 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2 1 2.017 2 5 0 -23.169548959022 2100279 CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=NC=C(C=C2)Cl 1 2.181 3 2 -6.59228813397303 2100275 C1CC1C2=NN=C(S2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl 1 2.079 4 2 -17.3801835238971 2100274 C1CN(CCN1C2=C3C=CSC3=NC=N2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5 1 2.183 4 4 0 -15.9055077022157 2100259 C1CN(CC2=CC=CC=C21)C(=O)COC3=C4C=CSC4=NC=N3 1 2.558 3 2 -12.1046036386457 2100255 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CSC4=NC=N3)C 1 3.37 4 2 -11.7160202119176 2100253 CN1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C4=CN=CC=C4)C5=CC=CC=C5 1 3.758 5 0 5.03997264232533 2100240 CC(C)(CNS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl)CN(C)C 1 3.122 2 2 -4.22256318030772 2100227 C1=CC(=CC(=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 4.338 2 5 0 -4.70494893222652 2100223 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)Br 1 3.115 2 2 -7.25425677407683 2100211 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C4=CN5C=CSC5=N4 1 2.522 3 4 0 -4.45070210574296 2100207 CCC1=CC=CC(=C1NC(=O)CON2C3=C(C=CC(=C3)C(F)(F)F)N=N2)C 1 2.264 4 2 -1.20855829215912 2100180 C1=CC(=CC=C1CC2=CC=NC=C2)NS(=O)(=O)C3=CC=C(S3)Cl 1 3.387 2 2 2.71708332901199 2100159 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CSC3=NN=NN3C4=CC=C(C=C4)O 1 2.665 7 3 0 -24.2460556833222 2100145 CC(C)[C@@H](C(=O)OCC(=O)N1CCC2=CC=CC=C21)NC(=O)C3=CC=CO3 1 2.384 2 5 0 -23.9125138897697 2100134 CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCCC2 1 3.805 2 1 -4.98937268012144 2100132 C1CC1NC(=O)COC(=O)C2=CC(=CC=C2)F 1 1.44 1 3 0 -11.3251613243352 2100125 CC1=C(C(=CC=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.589 2 6 0 -24.3681661068642 2100119 CCC(CC)NC(=O)C1=CC2=C(C=C1)N=CN2 1 2.327 3 1 -10.705001180217 2100110 C1CN(CCN1C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5 1 4.207 4 2 -11.6834846149175 2100102 C1CN(CCN1C(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.881 3 3 -18.6276607659382 2100093 COC1=C(C=C(C=C1)CCNC2=C3C=CSC3=NC=N2)OC 1 3.331 3 2 -5.22782856855448 2100087 C1=CC=C(C(=C1)CNC2=C3C=CSC3=NC=N2)F 1 3.248 3 0 -2.94301445621211 2100074 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(N2N)C3CCCCC3 1 3.185 5 2 0 -13.3591662626963 2100046 C=CCNC(=O)NC(=O)CN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 1.767 4 4 0 -13.3491395204568 2100042 CNC(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CC=C 1 2.626 3 2 -34.3595008032439 2100041 CC1=C(C=C(O1)CSC2=NN=C(S2)NC3CCCCC3)C(=O)OC 1 3.348 3 3 -13.5889616525729 2100040 C1CC1NC(=O)COC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)Cl 1 3.466 1 4 -9.39764993704241 2100039 CC1=CC(=NO1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 1.413 3 6 0 -20.8619106923519 2100018 C1CN(CCC1CC2=CC=CC=C2)C3=C4C=CSC4=NC=N3 1 4.47 3 0 5.53051371925282 2099995 C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=C(C=C(C=N3)C(F)(F)F)Cl 1 3.882 3 1 -3.57359241756686 2099952 C1=CC(=CC=C1CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2)F 1 4.244 2 1 -1.30743166796235 2099944 C1=CC=C(C=C1)C2=CC3=C(S2)N=C(NC3=O)C4=CC=CC=N4 1 3.367 3 1 -5.61552134039913 2099941 CC1=C(SC2=NC(=NC(=C12)NC3=CC4=C(C=C3)OCCO4)CN5CCCCC5)C 1 4.497 4 2 -3.47611348299348 2099919 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C 1 2.618 2 4 -8.42798925201961 2099902 C1CN(CCN1C2=CC=CC=C2)C(=O)CCCC3=NC4=CC=CC=C4S3 1 3.889 3 1 -2.35270614727499 2099887 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CC=N3 1 2.518 4 3 0 -15.8728336971889 2099885 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CO5 1 3.107 4 6 0 -33.1854141792444 2099839 CN1CC(=O)N(C1=O)CC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC 1 0.656 4 5 0 -17.8101565936761 2099830 CC1=NN(C(=C1C=NNC(=O)C2CC2)N3CCCC3)C4=CC=CC=C4 1 3.033 5 1 -5.66974221362046 2099825 CN1C=CC=C1C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 1.68 2 5 0 -12.0660662101088 2099816 CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC 1 1.888 5 3 0 -25.2067339286496 2099780 CC1=NN(C2=C1C=C(S2)C(=O)NCC3=CN=CC=C3)CC4=CC=CC=C4 1 3.018 4 1 -16.6623110991726 2099778 C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCCCC4)C(=O)N2CC1 1 2.534 3 2 -12.0274516124036 2099776 CCSC1=NN=C(S1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2 1 2.907 4 2 -26.4973981422076 2099761 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCOCC3 1 1.602 3 3 0 -7.59794885285706 2099752 CCOC1=CC=C(C=C1)C(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 3.45 5 5 0 -9.38348383498327 2099696 C1COCCN1C2=CC=C(S2)C=NNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4 1 2.885 4 4 0 -8.5382312880956 2099679 CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NN=C(S2)N)C3=CC=CC=C3 1 3.457 6 1 0 -14.9233870886146 2099678 CC1=NC(=NC=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)F)F 1 1.757 3 3 0 -9.96569666819693 2099658 CC1=C(SC2=C1C(=NC=N2)SC3=NN=NN3C4=CC=C(C=C4)Cl)C 1 4.494 6 0 -10.0228201189217 2099657 CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NNC(=N3)N)C 1 3.357 5 1 -5.09828069173343 2099644 C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NNC(=N4)N 1 2.268 6 1 0 -4.41099891219485 2099627 C=CCN(CC=C)C(=O)COC(=O)C1=CC(=C(C=C1)SC2=NC=NN2)[N+](=O)[O-] 1 2.499 5 5 0 -24.2631829807645 2099570 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 1.944 4 5 0 -20.6208917802145 2099546 C1CC2=C(C1)SC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)F 1 3.407 1 3 -10.2078651752207 2099542 COC1=C(C(=C2C(=C1)C(=O)N(C(=S)N2)CCCN3CCOCC3)OC)OC 1 1.981 3 5 0 -8.04525877292097 2099465 CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3O)C4=CC=CC=C41 1 4.127 2 4 -3.58118035993664 2099455 CCCOC1=CC=C(C=C1)C(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 3.974 5 5 0 -8.92849505097005 2099448 COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCCC2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 4.142 2 6 0 -29.0298876816762 2099443 C1CN(CCN1C2=CC=CC=C2O)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5 1 4.719 4 1 5.86363105121489 2099435 C1CN(CCN1C2=CC=CC=C2O)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)F 1 4.924 4 1 7.21843749000774 2099430 CC1=CC(=O)OC2=C1C=CC(=C2)OC3=NC=CC=N3 1 2.648 2 3 -4.59466273362479 2099429 CC1=CC(=C(C=C1)C)OC2=NN=NN2C3=CC=CC=C3 1 3.791 4 1 -4.95124857792437 2099420 CN(C)C(=O)COC(=O)C1=C(N=CC=C1)SC 1 0.881 2 3 0 -13.9762798162989 2099416 CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)F 1 3.189 3 1 -0.436862122453913 2099409 C1CN(CC=C1C2=CC=CC=C2)CC(=O)NC3=C(C=CC(=C3)Cl)Cl 1 4.371 2 1 -5.47301692899998 2099406 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCC4=CC=CC=C4C3 1 2.149 3 3 -13.3807009918449 2099384 C1=CSC(=C1)C(=O)CCC(=O)OCC(=O)NC(=O)C2=CC=C(C=C2)OC(F)F 1 2.907 1 6 0 -14.7313081710247 2099376 CC(C)CNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCOCC2)Cl)Cl 1 2.07 2 6 0 -16.0908052715598 2099375 CC(C)C1=CC=CC=C1NC(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 3.844 2 3 -9.86471468858248 2099367 C1CCC(C1)NC(=O)COC(=O)C2=CC=CC=C2F 1 2.352 1 3 -11.3661185704647 2099358 C1CN(CCN1C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 0.949 3 8 0 -22.4711570506169 2099355 CC1=C(C=C(O1)COC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)OC 1 3.066 1 5 -6.73639530539463 2099349 CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 2.812 3 4 0 -21.1443509651408 2099333 COCCNC(=O)CSC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.496 2 3 -8.54546952505024 2099331 C1=CC(=C(N=C1)Cl)C(=O)OCC(=O)C2=CC=C(C=C2)OC(F)F 1 3.469 1 4 -6.26233801737173 2099328 CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=CC=CC=C2O 1 1.542 2 5 0 -7.54842704870309 2099293 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 3.938 1 4 -14.4207169090814 2099288 C1COC(=CO1)C(=O)OCC(=O)NC(=O)C2=CC=C(C=C2)OC(F)F 1 0.912 1 7 0 -9.92263269841409 2099276 C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=CC3=CC=CC=C32 1 4.014 1 3 -11.8547949147854 2099264 CCCC1=CC(=O)OC2=C1C=CC(=C2)OC3=NC=CC=N3 1 3.561 2 3 -5.14042975295218 2099187 CN(C)CCCNS(=O)(=O)C1=CC=C(S1)Cl 1 1.187 2 2 0 -2.12485763766106 2099188 COC1=CC(=C(C=C1)C(=O)N(CC2=CC=CO2)CC3=CC=CS3)O 1 3.074 1 4 -4.64557690087706 2099205 CN(C)C(=O)COC(=O)C1=C(N=CC=C1)NC2=CC=CC=C2F 1 2.095 3 3 -8.46335809157228 2099233 CC1=C(SC=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2 1 3.545 1 3 -16.8956217587121 2099229 CC1=CC(=C(C(=C1)C)NC(=O)CCCN2CCCC2)C 1 3.445 2 1 -6.68571733371518 2099220 C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=C(C=C2)O 1 2.864 1 4 -11.6942545943837 2099210 C1CN(CCN1C2=CC=CC=C2O)C3=NC=CC=N3 1 1.501 4 1 0 6.07283835134917 2099133 CC(=O)NC1=CC=C(C=C1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.423 2 4 -16.2341708525931 2099103 C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NS(=O)(=O)C3=CC=C(S3)Cl 1 2.536 2 4 -9.1230007409855 2099088 CC(C)C1=CC=CC=C1NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Br 1 3.324 2 4 -14.2255667292221 2099071 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)COC(=O)C3=NNC4=CC=CC=C43 1 2.864 5 4 0 -20.1675286967259 2099069 CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=NNC3=CC=CC=C32 1 2.134 3 4 0 -17.4713866956224 2099054 CC1=CC=C(O1)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3 1 2.302 2 4 -4.290471458028 2099049 CCOC(=O)CCCNC(=O)COC(=O)C1=CC2=CC=CC=C2C=C1O 1 2.036 1 6 0 -18.7078948529455 2099047 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 1.151 4 6 0 -26.0395200795516 2099037 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)OC)OC 1 1.405 2 5 0 -9.83610252754103 2099028 CC(C)CCNC(=O)NC(=O)COC(=O)/C(=C/C1=CC=C(C=C1)OC)/C#N 1 2.396 3 5 0 -19.0485701592823 2099008 COC1=CC(=C(C=C1)OC)C(=O)COC(=O)CNC(=O)C2CCCCC2 1 2.43 1 6 0 -12.9754862869218 2098997 CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=C(N=CC=C3)Cl 1 3.942 3 1 -5.00559867979065 2098994 C1=CC(=CC(=C1)Cl)NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 2.454 2 2 -3.64585375052269 2098987 COC1=CC=CC=C1C(=O)NC(=O)CSC2=CC=CC=[N+]2[O-] 1 1.408 2 4 0 -11.022164080019 2098971 C1=CC=[N+](C(=C1)SCC(=O)NC(=O)C2=CC=C(C=C2)OC(F)F)[O-] 1 2.229 2 4 -7.42947151846521 2098958 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4 1 2.461 3 4 0 -7.56767515233654 2098956 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NC3=CC=CC(=C3)C#N 1 -0.413 6 4 0 -15.4852438509532 2098909 CC1=CC(=NC(=N1)C(C)C)OCC(=O)NC2=CC=CC=C2F 1 2.783 3 2 -9.18328208610643 2098908 CC1=CC(=NC(=N1)C(C)C)OCC(=O)NC2=CC(=C(C=C2)F)F 1 2.989 3 2 -7.23242965443644 2098906 CC1=CC(=NC(=N1)C(C)C)OCC(=O)NC2=CC=CC=C2OC 1 2.561 3 3 -11.389102738013 2098889 CCOC1=CC2=C(C=C1)NC(=O)/C(=C/C3=CC=CS3)/S2 1 3.361 1 2 -4.08632327737069 2098867 C1=CC=C(C=C1)CCCNC(=O)CSC2=CC=CC=C2 1 3.792 1 1 -11.239331261298 2098865 CC1=C(C=C(C=C1OC)C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)OC 1 3.706 2 3 0.603402796881144 2098833 CC1=NNC(=NC1=O)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.066 5 4 0 -28.0568722132371 2098823 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 3.125 3 5 0 -5.8397198671165 2098814 CCN1C(=NN=C1SCC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C)C3=CC=NC=C3 1 3.083 5 3 0 -11.9660440819359 2098777 COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N 1 1.303 2 4 0 -10.0688141813106 2098774 C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3=CC=CO3 1 1.131 3 5 0 -24.8046607918204 2098766 CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2Cl)C 1 5.304 2 2 -14.0519422001848 2098765 CC(C)(C)CC(C)(C)NC(=S)NC1CCN(CC1)CC2=CC=CC=C2 1 4.721 3 0 -8.6795176431595 2098763 CC1=C(C=CC=C1Cl)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3 1 5.357 3 0 -0.972239511460672 2098756 C1CN(CCC1NC(=S)NC2=CC=CC=C2C(F)(F)F)CC3=CC=CC=C3 1 5.148 3 0 -3.1606829636466 2098752 C1CN(CCC1NC(=S)NC2=C(C=C(C=C2)Cl)Cl)CC3=CC=CC=C3 1 5.535 3 0 -0.298264739626361 2098734 C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)SCC(=O)NC4=CC=C(C=C4)C(=O)O 1 4.687 3 3 -15.2017127388709 2098730 C1=CC=C2C(=C1)C=NN=C2OCC(=O)NC3=C(C(=C(C(=C3F)F)F)F)F 1 3.307 3 2 -3.41180179353946 2098723 COC1=C(C=C(C=C1)CNC(=O)C2=NC3=CC=CC=C3C=C2)OC 1 3.203 2 3 -14.0485104258211 2098715 C1=CC(=CC=C1CCNC(=O)C2=CC3=C(C=C2)N=CN3)Cl 1 3.122 3 1 -6.5310347207378 2098700 CCC1=NN=C(S1)NC(=O)C2=CC=C(O2)C 1 1.557 3 2 0 -10.2355725148083 2098693 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.256 3 4 0 -3.79729295390631 2098683 CC1=CC(=NC2=CC=CC=C12)SCC3=CC=C(O3)C(=O)OC 1 4.495 1 3 -2.6277757485854 2098678 CC(=O)NCCC(=O)NC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)F 1 0.935 3 5 0 -15.1582940133363 2098658 CC1=CC(=C(C=C1)C)S(=O)(=O)NCCCN2CCOCC2 1 1.602 2 3 0 -8.0239605967633 2098654 CC1=CSC(=N1)SCC(=O)NCC2=CC=CC=C2OC 1 2.278 2 2 -20.4290443508851 2098634 CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl 1 3.73 2 2 1.98173325118553 2098617 C1=CC(=CC=C1CCNC2=C3C=CSC3=NC=N2)S(=O)(=O)N 1 2.069 4 2 -6.89859372779494 2098603 CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)CSC4=NN=NN4C 1 2.432 5 3 0 -19.563484203752 2098588 C1CCC(CC1)C(=O)NCC(=O)OCC(=O)NC2=CC3=CC=CC=C3C=C2 1 2.752 2 4 -9.54465196439569 2098570 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCN3CCOCC3 1 1.092 4 3 0 -13.84534327781 2098560 C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)CNC(=O)C3=CC=CO3 1 1.584 3 4 0 -10.1950162817342 2098554 C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)OCC(=O)N 1 2.099 1 4 -5.45903539942446 2098549 CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=NNC3=CC=CC=C32)C 1 3.366 3 3 -15.1917925448066 2098544 C1CC1NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4Cl 1 3.585 3 2 -15.822325545362 2098542 CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=CC=C(C=C2)O 1 1.542 2 5 0 -7.73452613536151 2098541 CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)NC3=C(N=CC=C3)Cl)C 1 2.999 3 3 -6.87508543675022 2098533 C1=CC(=CC=C1C(=O)NCCCC(=O)OCC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)Cl 1 4.608 2 4 -15.7846489734682 2098531 CC1=C(C(=CC=C1)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32)C 1 3.622 2 3 -7.91258267673447 2098526 C1=CC=C(C=C1)CNC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 4.062 1 4 -14.2829764365018 2098487 CC1=C(C(=NO1)C)COC(=O)C2=C(N=CC=C2)Cl 1 1.874 2 3 0 -9.93149781078922 2098471 CCOC1=C(C=CC=N1)C(=O)NCC2=CC(=C(C=C2)OC)OC 1 2.309 2 4 -16.4652212022791 2098466 C1=CC=C(C(=C1)C(=O)NCCC(=O)NCCC2=CC=C(C=C2)Cl)Cl 1 3.579 2 2 -14.6581703319482 2098412 CC1=C(C(=NO1)C)COC(=O)C2=CC3=CC=CC=C3C=C2O 1 2.817 1 4 -7.02223946178189 2098399 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.66 3 2 -10.5768988234499 2098398 C1=CC=C(C(=C1)CNC(=O)C2=CC3=C(C=C2)N=CN3)Cl 1 2.801 3 1 -10.4415904020127 2098390 COC1=CC(=CC(=C1OC)NC(=O)C2=CC=CO2)C(=O)OCC(=O)NCC3=CC=CC=C3 1 2.475 2 7 0 -19.537154173208 2098388 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC(=O)NCC=C 1 1.432 3 5 0 -17.4012500709208 2098376 CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)F 1 2.864 3 2 -8.47697325828148 2098340 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC(=O)NC(=O)NCC(C)C 1 3.133 3 5 0 -17.8010220842815 2098333 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=NC=C6 1 5.084 3 3 -12.0932398487009 2098319 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)COC(=O)C3=C(C=CC(=N3)Cl)Cl 1 4.055 2 5 0 -21.7009620948253 2098304 CC1=CC(=NO1)NC(=O)COC(=O)C2=NNC3=CC=CC=C32 1 1.532 4 4 0 -23.9865437406433 2098298 C1CC1NC(=O)COC(=O)C2=CC(=CC(=C2N)Cl)Cl 1 1.817 2 3 0 -9.36590055636163 2098270 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC2=C(C=CC=C2Cl)Cl 1 4.168 1 3 -12.3746431754553 2098266 C1=CC=C(C(=C1)CNC(=O)CCCC2=NC3=CC=CC=C3S2)F 1 3.843 2 1 -11.7847760373184 2098264 CC(C)[C@@H](C(=O)NC1=C(C=C(C(=C1)OC)NC(=O)C2=CC=CC=C2)OC)NC(=O)C3=CC=CO3 1 3.148 3 6 0 -23.4598108268508 2098231 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NC3=CN=CC=C3 1 1.913 3 3 0 -13.86535030242 2098216 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)NCCC3=CNC4=CC=CC=C43)OC 1 3.669 3 4 0 -22.6231286542109 2098213 C1CN(CCN1C(=O)COC2=NC=NC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4 1 1.76 4 4 0 -18.0883092859677 2098196 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)OCC(=O)N3CC(=O)NC4=CC=CC=C43 1 1.783 3 6 0 -25.096145494009 2098193 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=CC=C2Cl 1 2.483 2 5 0 -14.4683573437999 2098186 CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OCC(=O)N(CCC#N)C4=CC=CC=C4 1 4.496 2 4 -2.86165089320845 2098173 COC1=C(C=C(C=C1)NC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)Cl 1 4.703 1 5 -10.8169743363173 2098159 CN1C=CC=C1C(=O)NC(=O)CSC2=NC3=CC=CC=C3S2 1 3.096 3 2 -9.51895592253784 2098158 C1CC1NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)SC(F)F 1 4.148 2 3 -12.0892398674379 2098151 CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 1.931 3 7 0 -22.1774261194642 2098092 COC1=CC(=CC(=C1OC)NC(=O)C2=CC=CS2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F 1 3.239 2 6 0 -19.4468700389702 2098063 C1CCC(CC1)C(=O)NCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.629 2 6 0 -16.0174663912064 2098056 CCOC(=O)C1=C(C2=CC(=CN=C2S1)C(=O)C3=C(C=CC(=C3)C)O)C 1 4.37 1 4 -2.574427135208 2098048 CN1C2=NC=C(C=C2C(=C(C1=O)C#N)C3=CC=C(C=C3)F)C(=O)C4=CC(=CC(=C4O)Cl)Cl 1 4.861 3 3 2.62802519109229 2098030 CCN(CC)CCC(=O)NN 1 -0.373 3 1 0 -5.3929299975663 2098006 CC1=C(OC2=C(C1=O)C=C(C=C2)F)C3=NN(C(=O)C4=CC=CC=C43)C 1 3.144 2 3 -0.792950468677603 2098000 CC1=C(OC2=C(C1=O)C=C(C=C2)Br)C3=CC=NC=C3 1 3.18 1 2 4.31955438268915 2097987 CS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.752 1 4 -4.15198378605562 2097954 CCOC(=O)C(=O)C1=C(/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/CC1)N3CCOCC3 1 2.72 2 6 0 -6.92398744337429 2097941 CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 2.017 3 4 0 -19.0267899252761 2097915 CCC1=CC2=C(S1)NC(=S)N(C2=O)CCC(C)C 1 4.321 2 1 -7.40847079912565 2097875 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=NN=C(O4)SCC(=O)N 1 3.864 4 2 -7.83059419136938 2097867 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4 1 2.901 2 5 0 -17.8558651840973 2097801 COC1=C(C=C(C=C1)NC(=O)COC(=O)COC2=CC(=CC=C2)Br)OC 1 2.872 1 6 0 -13.4867834151834 2097777 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)N 1 2.057 1 3 -4.10544523864246 2097776 C1CC1NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 1.47 1 5 0 -10.3147548723211 2097765 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC=C(C=C2)O)C)C 1 2.288 1 6 0 -7.25431339450825 2097755 CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC 1 3.763 2 6 0 -11.2677153115977 2097711 C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NNC(=N3)N)C4=CC=CC=C4 1 3.382 7 1 0 -5.68463826759694 2097670 CCN(CC)CCNCC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 2.817 3 2 -3.17476661833612 2097635 C1COCCN1C(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CS3 1 1.692 2 5 0 -18.6171828874998 2097616 CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCC3=C(C=C(C=C3)Cl)Cl 1 5.869 1 4 -13.1308581434453 2097588 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3 1 4.017 2 5 0 -10.430579693152 2097563 C1CN(CCC1C(=O)N)C(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3 1 0.851 3 5 0 -16.5125673805786 2097558 CC1=CC(=C(C=C1)C)OCC(=O)N2CCCN(CC2)C 1 2.071 2 2 -3.35898690684558 2097552 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4 1 3.701 3 3 -6.65908997205307 2097535 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC3=CN=CC=C3 1 0.761 3 4 0 -26.0049345091131 2097533 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4 1 3.131 4 2 -0.971730183182193 2097489 CC1=CC(=CC=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=C(C=C2)C#N 1 1.697 3 5 0 -16.6570151466989 2097459 CC1=C(C=C(C=C1)NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F)Cl 1 2.94 2 2 -5.96286715331941 2097453 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC(=O)C4=COCCO4 1 1.79 1 7 0 -12.8642076150525 2097446 COC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 2.277 2 6 0 -9.30210119392484 2097442 CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C 1 2.369 4 4 0 -17.6405215206342 2097435 CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.343 3 6 0 -11.0788289006734 2097425 CCCC1=CC(=O)N=C(N1)SCCCCN2C(=O)C3=CC=CC=C3C2=O 1 3.271 3 3 -13.9565470447267 2097398 CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3OC 1 3.136 3 4 0 -25.1271689174763 2097390 CC1CCN(CC1)C(=O)COC2=CC=C(C=C2)NC3=CC=CC=C3 1 3.798 2 2 -8.60370668280475 2097349 COC1=CC(=CC(=C1)C(=O)NCC(=O)N2CCCCC2)OC 1 1.188 2 4 0 -14.4614430344122 2097350 C1CCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 1.381 2 4 0 -10.9487802118191 2097387 CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC(C)C 1 2.698 2 1 -8.64971048200396 2097383 CCC(CC)NC(=O)C1=NNC(=O)C2=CC=CC=C21 1 1.961 3 2 0 -14.6812129971271 2097382 COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC 1 2.263 2 5 0 -22.9444321567681 2097374 CCCCNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CC=C3Cl 1 4.424 3 2 -18.2302113283688 2097358 CCN(CC1=CC=NC=C1)C(=O)C2=CC(=CC(=C2O)Br)Br 1 3.28 2 2 -1.26923388817691 2097336 CC\1(C2=CC=CC=C2N(/C1=C/C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC)C)C 1 2.837 2 5 0 -7.08252727255262 2097323 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=C(C=C2)Cl)N 1 2.098 3 5 0 -15.2079552675668 2097315 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=COCCO2)N 1 -0.652 3 7 0 -19.2710577972844 2097312 CC(C)[C@@H](C(=O)NC1=CC(=CC=C1)Br)NC(=O)C2=C(C=CC=C2F)F 1 4.161 2 2 -15.8009822089266 2097304 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)N3CCC4=CC=CC=C43 1 3.344 2 3 -18.4838720689842 2097287 C1CC1NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.197 2 6 0 -16.1438175321723 2097240 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)C 1 3.187 4 2 -8.41977103956234 2097235 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC(CC2)C)OCC 1 2.137 2 4 -20.5244379492609 2097228 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NCC3=CC(=CC=C3)Cl 1 2.418 2 3 -11.9090205368585 2097225 CC(C)[C@@H](C(=O)NCCC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.59 3 4 0 -25.5884870490706 2097223 CC1=C(C(=CC=C1)C)NC(=O)CON2C3=C(C=CC(=C3)C(F)(F)F)N=N2 1 1.808 4 2 0 -0.679568923210441 2097222 CCOC1=C(C=C(C=C1)C=NOCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)OC 1 4.215 2 5 0 -8.27660304854317 2097220 CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=CC=CC=C3 1 6.014 2 4 -8.9295099682733 2097201 C1COCCN1C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N 1 0.556 2 4 0 -11.522821575558 2097184 C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O 1 2.738 3 4 0 -9.2299242268307 2097158 C1CCC(C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=C(C=C4)Cl 1 5.532 1 4 -2.64588537200493 2097157 CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCO4)C 1 4.492 2 5 0 -9.5086542610473 2097136 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=NNC(=O)C4=CC=CC=C43 1 2.687 4 2 -8.92938485220039 2097108 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCC3=CC=CC=C3Cl 1 3.9 2 1 -10.8656822134002 2097097 C1=CC=C2C(=C1)C(=O)N=C(N2)COC(=O)C3=CC=CS3 1 2.154 2 3 -9.28847426647479 2097090 C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.698 5 2 0 -15.5848293818149 2097087 CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.589 2 6 0 -28.1367664757494 2097080 CCCNC(=O)COC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 3.136 1 3 -10.7667942591928 2097079 CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=C(C=CC=C2OC)OC)C)C 1 2.497 1 7 0 -9.09506299450503 2097073 C1CC1NC(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 1.597 2 5 0 -9.51091402497129 2097068 CCC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)Cl 1 4.228 1 1 -5.76443685892897 2097045 CC1=C(SC=C1)C(=O)NC2=NNC(=N2)C(F)(F)F 1 2.684 4 1 -5.4828090322646 2097024 C1=CSC(=C1)C(=O)NC2=NNC(=N2)C(F)(F)F 1 2.198 4 1 -4.34294241766197 2096996 C1CN(CC2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Cl 1 4.724 4 2 -4.48141848269695 2096993 CCOC1=CC=C(C=C1)NC(=S)C(=C2N(C3=CC=CC=C3N2C)C)C#N 1 4.91 4 1 -4.35546961980552 2096974 C1=CC=[N+](C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=C(C=C4)F 1 4.35 4 2 -3.69397242969217 2096964 COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CC2)[N+](=O)[O-] 1 1.112 2 6 0 -17.3303889149723 2096957 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C)C 1 3.274 1 7 0 -20.9620208368055 2096952 C1=CC=C2C=C(C=CC2=C1)SCC(=O)OCC(=O)N 1 1.841 1 3 0 -6.56015832061579 2096951 CC1=C(C=C(O1)COC(=O)C2=C(N=CC=C2)SC)C(=O)OC 1 2.381 1 5 -11.0692148956741 2096931 C1=CC=C(C=C1)CNC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F 1 1.796 2 2 0 -10.8725918445961 2096922 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3Cl 1 3.735 2 3 -17.5179036369784 2096899 C1=CC=C(C(=C1)C(=O)NCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl)F 1 1.31 3 4 0 -16.4920991104861 2096885 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=CC4=C3OC(=C(C4=O)C)C5=CC=CC=C5 1 5.776 2 3 3.48745303277199 2096862 C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CN4 1 4.625 4 1 -5.4642145402971 2096854 CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)C3=C(N(C(=C3)C)CCOC)C 1 4.282 2 3 -8.90032865751053 2096770 CC1=CC(=NC2=NC(=NN12)C(=O)NC3=CC=CC=C3N4CCOCC4)C 1 1.542 6 2 0 -12.3196313343655 2096767 C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.238 4 3 0 -12.7159726141096 2096720 CC1=CC(=C(C=C1)C)C(=O)CSC2=NNC(=N2)C(C)C 1 4.271 3 1 -3.53961368639788 2096694 CCOC(=O)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2S1 1 3.109 2 5 0 -14.5675243098644 2096690 C1COCCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2 1 1.828 3 2 0 -3.56753959242693 2096671 CC1=CC(=C(C=C1C(=O)CSC2=NC(=O)C3=CC=CC=C3N2)C)C 1 4.745 2 2 -6.78764710483195 2096640 C1CCC(CC1)NC(=O)NC(=O)CN2CCCC3=CC=CC=C32 1 3.221 3 2 -16.3222533561727 2096639 CC(C)C1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.447 4 3 0 -11.6336928673898 2096629 CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCCC4=CC=CC=C43)C 1 5.109 1 2 -10.2408221043562 2096600 CC(=O)N1CCN(CC1)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC 1 1.9e-002 4 4 0 -9.35902170168477 2096590 CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3CC3 1 2.138 4 1 -14.0778521537216 2096584 CCOC1=CC=CC=C1NC(=O)COC(=O)C2CC2 1 1.747 1 4 0 -14.6566973514227 2096572 CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 4.92 3 2 -0.261232350280962 2096562 C1COCCN1C(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 1.197 2 6 0 -10.560359346976 2096530 CNC(=O)NC(=O)COC(=O)C1=NNC2=CC=CC=C21 1 0.597 4 4 0 -16.7237653734289 2096495 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)F 1 2.727 3 2 -4.13541194352437 2096485 COC1=CC=CC(=C1)NC(=O)COC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.234 2 6 0 -11.8965388008994 2096481 CCN1C(=NN=C1SCC(=O)C2=C(C=C(C=C2)O)O)CSC3=NC4=CC=CC=C4S3 1 4.548 4 3 0 -6.69636548776072 2096475 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCC3=CC=C(C=C3)F 1 2.074 3 3 -11.9833476067646 2096474 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.049 3 3 -7.24966363638266 2096457 CCN1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)NC4=CC=C(C=C4)F 1 3.645 3 1 -2.47988275040806 2096442 CC(C)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N=CS3 1 3.892 2 1 -8.29990228263206 2096441 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CS4 1 1.928 5 3 0 -14.5019422559884 2096439 CC(=O)NC1=CC(=CC=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Cl 1 1.707 3 3 0 -13.2704739672874 2096429 CN1C(=NN=N1)SCC(=O)NCCCC2=CC=CC=C2 1 1.644 5 1 0 -24.5284841149034 2096424 CCN1C(=NN=C1SCC(=O)C2=CC=C(S2)Cl)C3=CC=CS3 1 4.378 3 1 -7.0606096695674 2096417 CCN(CC)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3 1 3.177 2 4 -11.9388727970837 2096414 CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)COC(=O)C3=CC=CS3 1 3.324 1 6 0 -11.5120746607281 2096413 C1=CC=C(C=C1)CNC(=O)COC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 3.881 1 3 -10.4144220401693 2096398 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.826 2 4 -3.77416868783458 2096395 CCC(=O)OCC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)Br)C 1 3.859 1 3 -8.33505160180818 2096377 CCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3 1 2.622 2 4 -11.1627024784249 2096373 COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC=C(C=C3)F 1 3.17 3 4 0 -10.5507704040866 2096364 CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2CC2 1 2.441 1 3 -8.6771165943523 2096357 COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)N 1 0.981 1 6 0 -12.701860463548 2096351 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5 1 5.231 4 3 0 -3.17015139457867 2096349 C1CCC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)C(=O)N2CC1 1 1.699 4 4 0 -20.639055754931 2096345 C1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.965 2 4 0 -13.2721968717785 2096342 C1CC1NC(=O)COC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 1 2.257 4 3 0 -5.49849604554369 2096340 COC1=C(C=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O)O 1 4.004 0 3 4.95212085751976 2096282 COC1=CC(=CC(=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)OC 1 3.16 2 4 -10.3023222290779 2096281 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)Cl 1 3.735 2 3 -14.4977304152549 2096272 COC1=CC=C(C=C1)CCNC(=O)CC2=C(C=CC=C2Cl)Cl 1 4.289 1 2 -9.95567991932931 2096247 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=C(C=CC=C2F)F)N 1 1.845 3 5 0 -17.8828794111757 2096243 COC1=CC=CC(=C1O)C(=O)OCC2=CC=CC=C2C#N 1 2.889 1 4 -3.82447218658059 2096233 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl)OC(F)F 1 4.398 2 4 -9.87829992252733 2096231 C1CN(C2=CC=CC=C21)C(=O)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 1.817 3 4 0 -18.5653235193021 2096230 C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3 1 4.347 2 4 -11.7236027875092 2096229 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3 1 3.302 2 3 -9.44086209190009 2096224 CC[C@H](C)[C@@H](C(=O)NCCC1=CC=C(C=C1)OC)NC(=O)N 1 1.895 3 3 0 -18.3836585507072 2096202 C1CCC(C1)(C2=CC(=CC=C2)F)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N 1 2.984 2 4 -8.28996089861372 2096192 CC(=O)NC1=CC=C(C=C1)C(=O)NCCCOC 1 9.e-002 2 3 0 -14.4774078427029 2096187 COC1=CC=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3N=CC2=O 1 1.909 3 3 0 -10.5391925699074 2096181 CCOC1=C(C=CC=N1)C(=O)NC2=CC=CC=C2F 1 2.541 2 2 -9.67346299460317 2096171 C1=CC=NC(=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)CC#N 1 0.866 4 2 0 -18.0574886166857 2096148 CC(C)[C@@H](C(=O)NCCC1=CC=C(C=C1)OC)NC(=O)N 1 1.439 3 3 0 -16.4591350906202 2096141 CC(=O)NC1=CC=C(C=C1)C(=O)NCC2CCCCC2 1 2.347 2 2 -10.9478950981129 2096109 CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2 1 3.881 3 3 -6.17663287899516 2096106 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3N4CCOCC4 1 2.913 3 4 0 -15.7130120847308 2096099 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2CCCCC2)N 1 1.896 3 5 0 -15.9229203847906 2096083 CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C(SC(=C3C#N)N)C(=O)OCC 1 3.759 4 3 0 -8.78002371468351 2096063 COC1=C(C=C(C=C1)C(=O)N2CCOCC2)S(=O)(=O)N3CCCC4=CC=CC=C43 1 2.139 2 5 0 -22.0560432529466 2096053 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)OCC(=O)NCC2=CC=CO2 1 1.872 2 6 0 -14.002279257452 2096041 COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)N)OC 1 3.419 4 5 0 -28.4443469106959 2095990 C1=CC2=C(C=C1C(F)(F)F)N(N=N2)OCC3=CC(=O)N4C=CSC4=N3 1 6.4e-002 5 2 0 -6.82319213062792 2095979 CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C)C 1 4.863 3 4 0 -18.3482137489633 2095974 COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 4.891 1 4 -6.40120042970919 2095971 C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)CCCSC3=NC4=CC=CC=C4N3 1 4.25 3 3 -15.2094833524581 2095969 CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.699 2 3 -8.47271496271936 2095964 COC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2)OC 1 2.639 3 3 -7.06254508205722 2095935 COC(=O)CNC(=O)COC(=O)C1=C(C=CC(=C1)SC)Cl 1 1.658 1 5 0 -13.7890393379503 2095932 COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)N4CCCCC4 1 3.804 4 1 3.13975238678332 2095917 CN(CC1=CC=C(C=C1)OC)CC(=O)N2CCC3=CC=CC=C3C2 1 2.811 2 2 -7.35539268337669 2095911 C1CN(CC2=CC=CC=C21)C(=O)CNCC3=CC(=CC=C3)Cl 1 2.956 2 1 -5.41704210285434 2095906 C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)C4=CC=C(C=C4)C(=O)O 1 3.428 2 3 -5.97174934827044 2095903 C1CN(CC2=CC=CC=C21)C(=O)CNCC3=CC=C(C=C3)Cl 1 2.956 2 1 -5.62039378885904 2095897 CC1CCN(CC1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O 1 2.786 1 4 -9.05628408904066 2095889 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=C(O3)C4=CC=CO4 1 1.943 4 5 0 -26.0965754117351 2095886 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=CC=C2Cl)N 1 2.098 3 5 0 -16.9372006102067 2095860 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)N)Cl 1 2.155 3 5 0 -18.5429078683683 2095839 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C 1 3.826 4 4 0 -8.73233496513269 2095836 C1CS(=O)(=O)N=C2N1C3=C(S2)C=C(C=C3)C(=O)NC4=CC=CC=C4CC5=CC=CC=C5 1 3.871 3 3 -12.5985448526618 2095823 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=NN3C4CCCCC4 1 3.793 4 2 -32.7834872570193 2095806 CC1=CC(=C(C(=C1)C)NC(=O)C2=CNC(=S)N2C3=CC=C(C=C3)F)C 1 4.765 3 1 -4.8881685098871 2095800 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=NN2C3CCCCC3 1 2.364 4 3 0 -34.1419744587961 2095799 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C 1 3.698 4 5 0 -10.9553335233622 2095794 CCOC(=O)C1=C(C2=CC(=CN=C2S1)C(=O)C3=CC(=CC(=C3O)Cl)Cl)C 1 5.213 1 4 -0.870258530699116 2095788 CC1=NC2=C(C=NN2C(C)C)C(=C1)C3=CC=C(C=C3)Cl 1 3.919 3 0 3.35734606706466 2095769 COC(=O)C1=C(C2=CC=CC=C2C(=O)N1)OCC3=CC=CC=C3 1 2.083 1 4 -6.39539089690414 2095736 COC1=C(C=C2CN(CCC2=C1)CCC(=O)C3=CC=C(C=C3)Br)OC 1 4.197 1 3 -4.69221919801452 2095722 COC(=O)CCN1CCC(CC1)C(=O)N 1 -0.251 2 3 0 -4.76335997583004 2095694 CC(C)(C)C1=NOC(=C1)N 1 1.49 2 1 0 -0.953739653759329 2095679 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)NN 1 0.899 4 2 0 -7.40058418183405 2095677 CCOC(=O)C1=CC(=O)N2C(=NC(=N2)C3=CC=C(C=C3)C)S1 1 3.038 3 3 -5.38846782293052 2095664 CC1=CC=C(C=C1)N(CC(=O)N2CCC3=CC=CC=C32)C4=NC(=O)CS4 1 3.491 3 2 -15.4558633464101 2095647 CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2CCCC2 1 1.058 2 5 0 -20.3454894140829 2095603 C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=C(C=CC=C3F)F 1 3.476 3 1 -6.521697419404 2095593 C1COCCN1C(=O)CCC(=O)C2=CC=C(C=C2)F 1 1.092 1 3 0 -8.51369127477248 2095591 COC1=CC=C(C=C1)OCCOC(=O)C2=CC=CS2 1 3.254 0 4 -7.45442142523939 2095566 C1CN(CCN1C2=CC=CC=C2)C(=O)CCC3=NC4=CC=CC=C4S3 1 3.433 3 1 -2.25356430385377 2095558 C1=CC=C(C(=C1)CNCC(=O)NC2=CC=C(C=C2)C(=O)N)Cl 1 1.67 3 2 0 -7.71432984138632 2095542 CC1=CC=CC=C1N2C(=NN=N2)SCC3=CSC(=N3)C4=CC=CC=C4 1 4.465 5 0 -12.428824313235 2095524 C1CSC(=N1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O 1 2.711 3 3 -18.2784111486727 2095513 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CO4 1 2.805 3 5 0 -13.6675711852619 2095509 CC1=CC=CC(=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C 1 1.955 5 4 0 -17.9816086774023 2095484 C1=CC=C(C=C1)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 3.465 1 4 -3.41454975062866 2095480 C1C(=O)NC2=CC=CC=C2N1C(=O)CNCC3=CC=C(C=C3)Cl 1 1.68 3 2 0 -7.98670243749811 2095470 C1=CC(=CC(=C1)Cl)COC(=O)CNC(=O)C2=CC=CO2 1 2.388 1 4 -7.70277782916925 2095446 C1=COC(=C1)CN(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)F 1 1.399 1 5 0 -12.4851895653813 2095444 C1=CC=C(C(=C1)C(=O)O)SC2=NC=NC3=C2C=CS3 1 3.399 2 2 -5.54659753719449 2095421 C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CC(=O)NC4=CC=CC=C43)SC=C2C5=CC=CC=C5 1 3.807 4 3 0 -26.7015581026248 2095412 CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=C(S2)NC3=C(C=CC=C3C)C)C 1 4.749 4 3 0 -17.4416318772104 2095397 CCOC1=C(C=CC=N1)C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32 1 1.054 3 5 0 -20.145447428805 2095395 C1=CC(=CC=C1OCCOC(=O)C2=CN=C(C=C2)Cl)Br 1 3.788 1 3 -7.16620853001715 2095375 C1COCCN1C(=O)COC(=O)C2=CC(=CC(=C2N)Cl)Cl 1 1.221 2 4 0 -9.4339716739123 2095353 CN1C(=O)C=CC(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 0.14 6 4 0 -12.9901725786237 2095339 CCC1=C(C(=CC=C1)CC)NC(=O)CON2C3=C(C=CC(=C3)C(F)(F)F)N=N2 1 2.72 4 2 1.79817222839346e-003 2095290 CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=CC3=C(CCC3)C=C2)C 1 3.892 2 3 -14.3846861997176 2095289 C1=C(C=C(C=C1C(=O)N)NC(=O)C2=CC(=C(S2)Br)Br)C(=O)N 1 1.888 3 3 0 -9.67453006333373 2095288 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F 1 2.303 4 3 0 -1.80335997413592 2095287 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3=NC=CS3)C 1 2.087 2 3 -10.5150402870548 2095228 CN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)CC3=CC=CC=C3 1 1.947 3 4 0 -9.6859137353029 2095221 CN(C)C1=CC=C(C=C1)C(=O)NCC2(CCCCC2)N3CCCCC3 1 3.97 3 1 -11.1941747225482 2095199 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CN=C(C=C3)Cl 1 2.975 3 1 -1.15560793219097 2095180 C1CN(CCC1CC2=CC=CC=C2)CC(=O)N3CCC4=CC=CC=C4C3 1 3.901 2 1 -5.66355351089229 2095082 C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=C2)N=CN3)Cl 1 2.801 3 1 -7.25595228094238 2095058 COCCNC(=O)/C(=C/C1=CC(=C(C=C1)O)[N+](=O)[O-])/C#N 1 0.866 3 5 0 -12.9374406486873 2095037 CC(C)NC(=O)COC1=CC=C(C=C1)OCC2=CC=CC=C2 1 3.166 1 3 -12.3513963259152 2095034 CC1=CC=C(C=C1)C2=C(N=C(S2)C3=CC=CC=C3)CC(=O)NC4=CC=CC=C4C(=O)OC 1 5.61 2 3 -4.08239269048924 2095033 CCN1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)NC4=CC=C(C=C4)NC(=O)C 1 2.56 4 2 -6.38167751262656 2095024 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC4=CC=CC=C4O3 1 4.132 2 2 8.40012364851168 2094981 C1CCC2=C3C(=NN(C3=O)C4=CC=CC=C4)N=C(N2CC1)SCC(=O)NCCC5=CC=CC=C5 1 3.523 5 2 0 -23.7689928045289 2094970 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC4=C(C=C3)OCCO4 1 2.94 3 6 0 -11.9288401014285 2094910 CC1=CC(=CC=C1)NC(=O)CCCSC2=NC3=CC=CC=C3N2 1 4.121 3 1 -7.62243133042958 2094945 CC1=CC(=C(C=C1)NC(=O)/C(=C/C2=CC=C(S2)C)/C#N)C 1 3.992 2 1 -12.8693791567279 2094935 CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 1.928 3 3 0 -20.180524642654 2094927 C1=CC=C(C(=C1)CC(=O)NC2=CC=C(C=C2)SC(F)F)F 1 4.218 1 1 -8.63894664504565 2094925 COC1=C(C=CC(=C1)C(=O)NC2CCCCC2)OCC3=C(C=C(C=C3)Cl)Cl 1 5.775 1 3 -8.72955443345192 2094919 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4 1 3.652 3 3 -10.9402617129735 2094895 COC1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC=CC=C2 1 2.796 1 4 -9.57590373732471 2094883 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=CC=C2)F)N 1 1.639 3 5 0 -16.994045715213 2094880 CCOCCCNC(=O)/C(=C/C1=CC(=C(C(=C1)C)O)C)/C#N 1 2.355 2 3 -17.1357937014612 2094878 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NN=CC4=CC=C(C=C4)C(=O)O 1 4.399 3 3 -9.87728716725034 2094846 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=C(N=C3)Cl)Cl 1 1.721 3 4 0 -15.9945596452331 2094813 CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NCC3=CC=CO3 1 3.073 2 6 0 -21.7178995739478 2094810 C1COCCN1C(=O)COC(=O)C2=CC=CC=C2O 1 0.396 1 5 0 -9.26577326050407 2094807 C1=CC2=C(C(=C1)OCC(=O)NCC3=CC=CS3)N=CC=C2 1 2.383 2 2 -16.5192426496906 2094798 C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC=C(C=C3)C#N 1 3.402 2 1 -4.5994348320994 2094790 C1=CC(=CC=C1NC(=O)CC2=CC(=C(C=C2)Cl)Cl)SC(F)F 1 5.342 1 1 -3.46023337938673 2094784 CN(C)C1=CC=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N2 1 2.834 4 1 -5.9010090912843 2094767 CCCC1=CC(=O)N=C(N1)SCC(=O)NCCCC(=O)OCC 1 1.633 3 4 0 -30.1082180167923 2094747 C1COC2=C(O1)C=CC(=C2)NC(=O)/C(=C/C3=CC(=CC=C3)O)/C#N 1 2.465 2 4 -13.4426681405957 2094734 C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=C(C=C3)C#N 1 2.55 4 1 -4.7173138821215 2094705 C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=C(C=C3)Cl 1 3.336 3 1 -0.269576041863996 2094703 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4 1 4.631 2 4 -13.0881062042209 2094701 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=NC=CN=C4 1 3.204 4 1 -1.54547196981405 2094700 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCC3=CC=C(C=C3)Cl 1 3.9 2 1 -7.51163109531753 2094696 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.176 4 2 -16.0172883282317 2094686 C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)COC2=CC=C(C=C2)Br 1 2.628 2 4 -9.18194859975929 2094679 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=COCCO2 1 0.226 1 6 0 -14.6424799537961 2094678 COC1=CC(=C(C=C1C(=O)OCC(=O)NC2CCCC2)Cl)N 1 2.048 2 4 -11.1948597836335 2094668 CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C#N 1 2.942 3 3 -15.7969510844201 2094663 CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)COC2=CC=CC=C2C)C 1 3.483 1 6 0 -12.8913604696278 2094658 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)/C=C/C3=CC=C(O3)C 1 2.975 5 3 0 -3.97085609401839 2094605 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=CC(=C2)F)F)N 1 1.845 3 5 0 -16.2605056107586 2094589 CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N 1 2.376 3 5 0 -17.2693920939327 2094573 C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])Cl 1 0.998 2 4 0 -17.886170038914 2094572 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4)N 1 3.325 5 3 0 -22.7107936974052 2094567 CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=C(C=C2)F)C 1 3.041 2 3 -6.70104285511921 2094557 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC4=C(C=C3)OCCO4)C 1 3.929 3 5 0 -13.4925530056758 2094549 C1CC1C2=NN=C(N2N)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 1.208 5 3 0 -17.1870093855396 2094544 CCOCCCNC(=O)/C(=C/C1=CC(=C(C(=C1)OC)O)[N+](=O)[O-])/C#N 1 1.261 3 6 0 -18.0158621015707 2094518 CC(C)(C)NC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2 1 3.323 1 2 -6.91526860196244 2094510 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCOCC4)C)C 1 3.998 3 4 0 -9.50827838139557 2094494 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC4=C(C=C3)OCCO4 1 2.94 3 6 0 -15.6433444369993 2094492 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl 1 3.466 5 3 0 -15.4140835835233 2094469 CC1=C(SC2=C1C(=NC=N2)SCC(=O)N3CCCC3=O)C 1 2.13 3 2 -15.8742908070702 2094460 COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC4=CC=CC=C4OC3=O)OC 1 2.899 1 5 -18.3066289268827 2094452 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3CCCC3=O 1 1.936 2 3 0 -17.8061042478635 2094441 CC1=CN=C(S1)NC(=O)C2=CC(=CN=C2)Br 1 1.355 3 1 0 -4.46216720322002 2094435 CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 2.308 4 2 -3.00581739070681 2094426 CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)F 1 3.278 2 2 -8.50972244214809 2094420 CC1=CC(=NC2=NC(=NN12)SCC3=CC(=O)OC4=C3C=CC(=C4)OC)C 1 3.465 4 3 0 -13.8560884372018 2094416 CN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC 1 1.628 6 3 0 -26.3981568038698 2094413 CCC1=C(C(=C(S1)NC(=O)CSC2=NN3C(=CC(=NC3=N2)C)C)C(=O)OCC)C 1 3.794 5 3 0 -21.0944440643 2094405 CC1=CC=C(S1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 3.934 3 3 -7.07999522710277 2094400 COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCOCC2)[N+](=O)[O-])OC 1 0.5 2 8 0 -16.6927506640092 2094391 C1CCN(C1)C(=O)/C(=C/C2=CC=C(C=C2)C#N)/C#N 1 1.89 3 1 0 -11.8126684126559 2094370 CC1=CC(=NC2=NC(=NN12)SCC(=O)C3=C(N(C(=O)N(C3=O)C)CC(C)C)N)C 1 1.617 7 3 0 -19.3490346266106 2094369 CN1C=CC=C1C(=O)NC(=O)CSC2=CC=CC=[N+]2[O-] 1 1.015 3 3 0 -9.31326026655429 2094366 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NN3C(=CC(=NC3=N2)C)C 1 3.013 5 4 0 -24.5591963596513 2094338 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC 1 1.559 2 8 0 -11.0550954398443 2094324 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(C=C(C=C3)O)O 1 3.687 2 3 4.32512095371095 2094306 C1CC2=C(C1)C=C(C=C2)OCC(=O)OCC(=O)N3CC(=O)NC4=CC=CC=C43 1 2.226 2 5 0 -18.0204425026335 2094276 CC1=CC=C(O1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl 1 3.376 3 4 0 -9.17762821937121 2094275 CC1=CC(=C(C=C1)C)S(=O)(=O)NN=CC2=CC=C(C=C2)N(C)C 1 3.521 3 2 -3.0187417799209 2094274 CC1=NN=C(N1N=CC2=CC3=CC=CC=C3N=C2Cl)C 1 2.626 5 0 4.68959779904765 2094272 CCNC(=S)NN=CC1=C(N=C(S1)N2CCCCC2)C3=CC=CS3 1 4.228 5 0 -5.80666770781909 2094271 CCOC1=CC=C(C=C1)NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2 1 -0.97 5 6 0 -18.2713832060346 2094263 CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC=C(C=C2)COC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 6.378 1 4 -9.50246049237184 2094247 COC1=CC=CC=C1CNC(=O)/C=C/C2=CC=C(O2)Br 1 3.036 1 3 -9.69166620177808 2094245 CCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 4.159 4 3 0 -26.3982009272472 2094244 COC1=NC=C(C=C1)NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 3.54 2 2 -4.1392210546561 2094235 CCOC(=O)NN=CC1=C(C(=C(C(=C1F)F)F)F)F 1 3.038 2 2 -4.46712178021098 2094230 CC1=CC(=C(C=C1)C)S(=O)(=O)NN=CC2=CC=C(C=C2)C(=O)O 1 2.988 2 4 -3.23000935965459 2094222 CC(C)N(C(C)C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 4.52 2 4 -10.3460036688441 2094205 CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2CCCC2)Cl 1 3.723 1 3 -8.75775980521973 2094175 C1=CC(=CC(=C1)Br)S(=O)(=O)NCCC(=O)O 1 1.219 1 4 0 -9.33664619908101 2094169 C1CCN(CC1)C2=NC3=C(S2)C(=CC(=O)N3)C(F)(F)F 1 2.442 3 1 -3.07752630928519 2094153 CCCCS(=O)(=O)NC1=NC=C(C=C1)C 1 1.944 2 2 0 -5.59337187120784 2094146 CC1=CC=C(C=C1)C2=N/C(=C\C3=CN=CC=C3)/C(=O)O2 1 2.648 2 2 -8.10330720949657 2094121 COC(=O)C1=CC=C(C=C1)C2=NC(=O)C3=CNC=CN32 1 -0.566 3 3 0 -6.40399989676588 2094118 COC1=CC=C(C=C1)C2=NC(=O)C3=CNC=CN32 1 -0.437 3 2 0 -2.82456309893168 2094115 C1=CC(=CC=C1C2=NC(=O)C3=CNC=CN32)Cl 1 0.243 3 1 0 -0.589598199200723 2094089 CC(C)C1=NOC2=NC=C(C=C12)C(=O)C3=CC(=CC(=C3O)Cl)Cl 1 4.435 2 3 3.94867034227696 2094064 CC1=C2C=C(C=NC2=NN1)C(=O)C3=C(C=CC(=C3)F)O 1 2.169 3 2 2.30941635701431 2094045 CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3NC24CCN(CC4)CC5=CC=CC=C5 1 5.171 3 1 0.599458717749119 2094022 CC1=CC(=C(C=C1)O)C(=O)C2=CN=C3C(=C2)C(=NO3)C4=CC=C(C=C4)F 1 4.333 2 3 6.18260112562128 2094003 C1CCC(C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.951 2 6 0 -27.1445624274366 2093999 C1=CC=C(C=C1)CNC(=O)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4 1 3.81 5 3 0 -16.212156752186 2093985 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3=CC(=C(C=C3NC(=O)C4=CC=CS4)OC)OC 1 4.797 2 7 0 -19.0277366716847 2093974 CC1=CC(=NC2=NC(=NN12)SCC(=O)C3=CC=CN3)C 1 2.509 5 1 -8.94652534217815 2093973 C/C=C/C(=O)OCC(=O)NC1=CC(=NN1C2=CC=CC=C2)C3=CC(=C(C=C3C)C)C 1 5.513 3 3 -3.65660048201841 2093952 COC1=CC=C(C=C1)CNC(=O)C2(CC2)C3=CC=C(C=C3)Cl 1 3.812 1 2 -6.60966168406365 2093949 COC1=C(C=C(C=C1)CC(=O)NC2=CC3=C(CCC3)C=C2)S(=O)(=O)N4CCOCC4 1 2.494 2 5 0 -23.3302301818981 2093947 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=CS3 1 1.189 3 3 0 -20.4647708063271 2093934 CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 3.781 3 4 0 -13.2145223087121 2093921 CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2 1 3.472 3 2 -5.19114282127 2093896 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Br)C 1 4.117 2 3 -10.5032839086747 2093872 CC1=CC=NC2=NC(=NN12)C(=O)NC3=NC(=CS3)C 1 0.689 6 1 0 -11.7123988732601 2093867 CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.085 3 6 0 -26.2367748127712 2093866 CCC(CC)C1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C 1 2.746 5 2 0 -13.219127478939 2093865 CC1=CN=C(S1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.39 3 3 0 -8.00686678605449 2093863 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCCC3 1 1.795 3 2 0 -8.63433470763877 2093858 COC1=CC=C(C=C1)CNC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.428 2 6 0 -24.2562224383575 2093854 CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)C 1 3.559 2 2 -10.5010445827784 2093853 CC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Cl 1 2.327 2 3 -13.5186003009366 2093839 C1=CC=C(C(=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)Cl 1 3.251 2 2 -11.0685944982306 2093832 CC(=CC(=O)OCC(=O)NC1=CC=C(C=C1)SC(F)F)C 1 3.567 1 3 -6.35518165022764 2093798 C1=COC(=C1)CNC(=O)CSC2=NN=C(O2)C3=CC=CS3 1 1.991 3 3 0 -22.3100368914366 2093795 C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2)N=CS3)Br 1 3.446 2 1 -7.15001916246979 2093788 CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)NC(=O)N 1 0.703 4 3 0 -19.6984530764366 2093786 C1=CC=C(C=C1)CNC(=O)NC(=O)COC2=CC=C(C=C2)N3C=NN=N3 1 1.123 6 3 0 -19.2870794766151 2093783 CC1=CC=CC=C1OCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 2.696 2 4 -7.17677776733875 2093698 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC3=NC(=NO3)C4=CC=CC=C4 1 2.392 4 3 0 2.68906327802569e-002 2093684 CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2CSCC2=O)C 1 1.177 2 4 0 -11.33017538555 2093658 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCNC(=O)C3=CC=NC=C3)Cl 1 2.09 3 5 0 -24.7232943161452 2093655 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC(=O)NC3=CC=CC=C32 1 1.505 2 5 0 -14.9621198628968 2093650 CC1=CC=C(C=C1)NC(=O)NC2=NOC=C2 1 2.002 3 2 -3.61371808123495 2093645 CCCCNC(=O)NC1=NOC=C1 1 1.268 3 2 0 -10.1619153213481 2093609 C1=CC(=C(C=C1NC(=O)NC2=NOC=C2)Cl)Cl 1 2.844 3 2 -1.99362938802153 2093599 CC1=C(C(=NN1C2=CC=C(C=C2)F)C)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 4.086 3 2 0.366640792059949 2093597 CC1=C(C(=NN1C2=CC=C(C=C2)F)C)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.842 3 2 1.22564431927353 2093562 CCC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2 1 5.038 2 0 -8.09740703466753 2093530 CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=C(N=C2)Cl)Cl 1 3.728 1 4 -8.53446871251838 2093527 C1=CC=C(C=C1)CC(=O)OCC(=O)NC2=C(N=CC=C2)Cl 1 2.079 2 3 -10.018795307014 2093526 C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3O 1 2.902 4 4 0 -1.459029074667 2093501 CC(C)[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.431 4 5 0 -29.6387615604686 2093497 CC1=NN(C2=C1C=C(S2)C(=O)NCC3=CC=CC=C3OC)CC4=CC=C(C=C4)F 1 4.357 3 2 -14.9073870287072 2093492 C1=CC=C2C(=C1)C(=CN2)CC(=O)NCC3=C(C=C(C=C3)Cl)Cl 1 4.278 2 1 -9.41950574056234 2093491 COC1=CC=C(C=C1)CCNC(=O)C2=CN=C(C=C2)Cl 1 2.649 2 2 -8.84665554158864 2093489 COC1=CC=C(C=C1)CCNC(=O)C2=CNC(=O)C=C2 1 0.732 2 3 0 -10.660529414297 2093488 CC(=O)N1CCN(CC1)C(=O)CN2C3=CC=CC=C3OC2=O 1 2.8e-002 3 4 0 -7.96288113730195 2093485 C1=CC(=CC=C1SCCC(=O)NCC2=CC=NC=C2)Cl 1 2.777 2 1 -8.39345505931298 2093483 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=CC(=C2)F)C)C 1 3.289 2 3 -12.0500889310048 2093480 CCOC1=CC=CC=C1OCCCC(=O)NC2=C(C=CS2)C(=O)N 1 2.14 2 4 -13.7314301104233 2093474 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=CC=C4 1 3.652 3 3 -14.1758879706147 2093461 COC1=CC=CC(=C1)CC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2 1 3.16 3 2 -9.86336191565182 2093438 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 2.252 4 3 0 -5.03553961721761 2093404 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N(CCOC)C3=C(N(C(=O)NC3=O)CC(C)C)N 1 1.079 7 4 0 -24.7652905102959 2093398 CC1=C(C(=NO1)C)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4 1 3.639 4 2 -13.5400915199515 2093371 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC(=O)C(=NN3)C 1 0.887 5 4 0 -30.0671674981578 2093276 CC(C)[C@@H](C(=O)OCC(=O)N1CC(=O)NC2=CC=CC=C21)NC(=O)C3=CC=CO3 1 1.116 3 6 0 -26.1045202048352 2093255 CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NN3C(=NN=C3C)C 1 3.112 5 0 5.6989617663749 2093252 COCCNC(=S)NN=CC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC 1 3.523 3 4 0 -14.4854835248737 2093241 C1=CNC(=C1)C(=O)COC2=CC(=C(C=C2)F)Cl 1 3.324 1 2 -1.44633771202799e-002 2093238 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)OC 1 2.052 3 5 0 -12.6711260369931 2093211 COC1=NC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4)Cl 1 4.928 3 4 0 -15.8239594506247 2093203 COC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4 1 3.039 3 3 -12.6517454171316 2093200 CCSC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C 1 4.054 4 3 0 -18.6270288921689 2093195 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5 1 3.615 5 1 -1.42949763368204 2093194 COC1=CC=C(C=C1)CCNC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.309 2 3 -13.1745777368275 2093193 COC1=CC=C(C=C1)CCNC(=O)C2=C(N=CC=C2)SC 1 2.856 2 2 -12.7365462693887 2093192 COC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl 1 3.59 1 2 -4.79634739398263 2093174 C1COC2=C(O1)C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.433 2 5 0 -15.6183157213985 2093169 C1CN(CCC1C(=O)NC2=CC=CC=C2N3CCOCC3)S(=O)(=O)C4=CC=CC=C4F 1 2.259 3 4 0 -13.0068132316042 2093160 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CC3=CC(=C(C(=C3)OC)OC)OC)OC 1 3.511 2 6 0 -7.34481730210164 2093138 CCOC1=CC=CC=C1NC(=O)/C(=C/C2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl)/C#N 1 4.427 4 2 -11.7471618392223 2093114 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=C(S3)S(=O)(=O)N4CCOCC4 1 1.774 3 5 0 -15.4458365662534 2093102 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4 1 2.681 2 4 -23.0501277211948 2093093 CN(CC(=O)NC1=NC2=C(S1)C=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.078 3 3 -4.57801881725704 2093084 CC1=CC=CC=C1NC(=O)C2=NN3C(=CC=NC3=N2)C 1 1.895 5 1 0 -12.5093888057628 2093078 CC1=CC(=C(C=C1)NC(=O)C2=NN3C(=CC=NC3=N2)C)C 1 2.381 5 1 -12.7070371267496 2093059 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl 1 2.738 3 4 0 -14.3334085815535 2093058 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)F 1 1.109 4 6 0 -23.7332496866459 2093042 COC1=NC=C(C=C1)NC(=O)C2=CC(=C(S2)Br)Br 1 3.256 2 2 -6.86212442972993 2093024 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 1.183 4 4 0 -23.5089247339724 2093014 COC1=CC=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 3.168 2 4 -19.5477706631486 2093012 COC1=CC=C(C=C1)CCNC(=O)C2=NC3=CC=CC=C3C=C2 1 3.541 2 2 -9.02167843484392 2093009 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4)F 1 3.19 3 4 0 -16.0818933804184 2093008 C1CC2=C(C1)C=C(C=C2)NC(=O)CC3=CC=C(S3)S(=O)(=O)N4CCOCC4 1 2.589 2 4 -20.0968150932265 2093005 C1=CC=C(C(=C1)CNC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)Cl 1 3.258 2 2 -16.3339589284305 2093004 CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4)C 1 4.585 4 2 -9.61897982241086 2092999 CCSC1=NN=C(S1)NC(=O)COC2=CC=CC3=CC=CC=C32 1 3.264 3 2 -14.8364193132182 2092997 CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)N=CS3 1 4.082 2 2 -7.34541760930986 2092996 C1=CC2=C(C=C1C(=O)NC3=C(C=C(C=C3)F)F)SC=N2 1 3.109 2 1 -7.25481857924159 2092993 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC4=C(C=C3)N=CS4 1 2.664 3 3 -10.1115134896683 2092972 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4)C 1 1.167 5 5 0 -18.3789619470885 2092968 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O 1 2.835 2 4 -9.01377735674364 2092967 COC1=CC=CC=C1CNC(=O)COC(=O)CC2=C(C=CC=C2Cl)Cl 1 3.675 1 4 -15.3863222340941 2092965 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl 1 3.521 2 4 -9.13600476827108 2092955 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4CC4 1 3.854 2 3 -12.2104941932422 2092952 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 2.436 2 6 0 -10.7040258811526 2092951 C1=CC=C(C(=C1)CC(=O)OCC(=O)NCC2=CC=CC=C2Cl)[N+](=O)[O-] 1 2.922 2 5 0 -17.4138262641333 2092930 C1CCC(C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl 1 3.56 1 3 -8.87514646150913 2092926 CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)C2=COCCO2 1 0.299 1 6 0 -12.6152127800073 2092924 CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=NOC(=C4)C)C 1 4.566 3 4 0 -17.5546542170931 2092898 CC1=NN(C(=C1/C=C(\C#N)/C(=O)NC2=CC=CC=C2OC)Cl)C3=CC=C(C=C3)F 1 4.078 4 2 -10.9539110903423 2092894 CC1=NN(C(=C1/C=C(\C#N)/C(=O)NC2=CC(=C(C=C2)OC)OC)Cl)C3=CC=C(C=C3)F 1 4.062 4 3 0 -12.9789711666732 2092877 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N4CCCC4=O 1 2.347 3 4 0 -18.729547715531 2092865 COC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 1.916 3 3 0 -8.00734054014539 2092860 C1=CC=NC(=C1)C(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)F)F 1 3.247 3 1 -2.23460365160036 2092858 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 0.98 4 5 0 -30.4947722239414 2092851 COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCC(=CC3)C4=CC=CC=C4)OC 1 2.888 3 3 -9.79502912920362 2092810 C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)OCC(=O)N4CCCC4 1 3.574 2 3 -9.37036581497863 2092791 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=C(C=CC(=C2)Cl)Cl)N 1 3.449 3 3 -9.96664259099725 2092776 COC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)N2CCC3=CC=CC=C32)OC 1 1.629 2 6 0 -21.5412087132517 2092717 CC1=NN(C(=C1C=NNC(=O)CNC2=CC=C(C=C2)OC)Cl)CC3=CC=CC=C3 1 3.302 5 2 0 -11.2788690059828 2092715 CCOC1=CC=C(C=C1)OC2=C(C(=NN2C3=CC=CC=C3)C)C=NNC(=O)C4CC4 1 4.303 4 3 0 -4.71694119071457 2092706 COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=C(C=C(C=C2)F)Cl)OC 1 3.165 1 5 -13.0063134944853 2092705 COC1=CC=CC(=C1)C(=O)NCC(=O)OCC2=C(C=C(C=C2)F)Cl 1 3.182 1 4 -8.99614130428403 2092697 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=CC=C2OC)OC 1 2.231 2 6 0 -17.4269158566275 2092690 CN(C)C1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.626 3 2 -8.84505667403286 2092679 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl)N 1 1.821 4 5 0 -17.9453507189744 2092674 CC1=CC=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3N2 1 4.121 3 1 -9.41268265723393 2092670 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=NC(=CS3)C 1 2.246 2 4 -10.5764415011808 2092666 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC3=C(C=C2)OCCO3)N 1 1.22 3 7 0 -21.5611186406356 2092663 CCOC(=O)C1=C(NC(=C1C(=O)CN2N=C(N=N2)C3=CC=CC=C3C)C)C 1 2.836 5 3 0 -1.75348041460239 2092656 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2OCC3=CC=CC=C3 1 3.302 2 3 -8.54868203960032 2092655 CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2N3CCOCC3 1 1.584 3 3 0 -10.0743881938488 2092643 CC1=CC(=CC(=C1)NC(=O)COC(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32)C 1 1.935 3 5 0 -13.7442827991099 2092624 C1CC2=CC(=C(C=C2C1)O)CN3CCN(CC3)C4=CC=CC=C4 1 4.348 2 1 8.42383008895614 2092599 CC1=CC=C(C=C1)OCC(=O)NCC2=CC=CS2 1 2.683 1 2 -11.1582528750665 2092582 C1=CC=C(C(=C1)C(=O)NCC2=CC=CC=N2)OCC(=O)NC3=CC=C(C=C3)Br 1 3.054 3 3 -14.2447537039024 2092555 CC1=NN(C(=C1C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)Cl)CC4=CC=CC=C4 1 3.736 4 3 0 -10.2653259042022 2092547 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)COC(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-] 1 4.17 2 7 0 -14.0335191058847 2092522 CC1=CSC(=N1)SCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N 1 1.4 4 3 0 -19.3227091012725 2092519 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=C(C=C2)O)N 1 1.192 3 6 0 -15.1500798470144 2092517 CN(C)C(=O)CN1C(=O)C(NC1=O)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC 1 1.543 3 5 0 -6.3739387233279 2092479 COC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 4.26 1 6 0 -12.1833146787621 2092459 C1=CC(=CC=C1CCNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)Cl)S(=O)(=O)N 1 2.487 2 5 0 -12.6786422856942 2092446 C1COC(=CO1)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 0.906 1 5 0 -12.4785580027002 2092437 C1=CC=[N+](C(=C1)SCC2=CC(=CC=C2)[N+](=O)[O-])[O-] 1 2.394 2 3 -7.20010333676093 2092436 CC1=CC(=NO1)NC(=O)CSC2=NNC(=N2)C3=CC=CS3 1 2.306 5 2 0 -17.4921081566943 2092426 COC1=CC=CC=C1/C=C(\C2=CC=CC=C2)/C(=O)OCC(=O)NCC3=CC=CC=C3 1 4.258 1 4 -12.3127898796315 2092417 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=C(N=CC=C2)Cl)N 1 1.157 4 5 0 -16.4455425572463 2092416 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=CC=C2F)N 1 1.639 3 5 0 -17.5486091415097 2092397 CCOC(=O)NC1=CC(=CC=C1)OCC(=O)NC2=C(C=C(C=C2)OC)OC 1 2.529 2 6 0 -11.7540100450609 2092395 CCOC(=O)NC1=CC(=CC=C1)OCC(=O)NC2=CC=CC=C2OC 1 2.546 2 5 0 -10.583967847385 2092383 C1=CC=C(C(=C1)OCCN2C(=O)C3=C(C2=O)C(=CC=C3)N)F 1 1.953 2 3 0 -4.00426401063316 2092365 CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 0.616 3 5 0 -15.3734380676781 2092345 C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)C2=CC=CS2 1 0.768 2 5 0 -23.8308615985636 2092344 CC1=CC(=NO1)NC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Cl)C 1 3.015 2 5 0 -16.6091593454198 2092342 C1=CC(=CC(=C1)F)C(=O)OCC(=O)NC2=C(N=CC=C2)Cl 1 2.25 2 3 -8.9686594086254 2092341 C1=CC(=CC(=C1)F)/C=C/C(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 3.047 2 3 -1.59275401603052 2092332 CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C 1 3.029 4 2 -15.0403831551746 2092331 C1CCCC2(CCC1)C(=O)N(C(=O)N2)CC(=O)NCC3=CC=CC=C3Cl 1 3.193 3 3 -13.14163365312 2092318 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=N3 1 1.914 4 2 0 -13.7183561972897 2092314 C=CCSC1=NN=C(S1)NC(=O)COC2=CC3=CC=CC=C3C=C2 1 3.532 3 2 -14.0036111866881 2092308 CN(CC(=O)NC1=CN=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.619 3 4 0 -10.1950476425094 2092292 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NCC(C)C 1 1.693 2 4 0 -17.790951638258 2092278 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC(=O)CNC(=O)C3=CC4=CC=CC=C4C=C3)C)C 1 3.894 2 4 -0.477970304983399 2092276 CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)N 1 2.281 3 7 0 -11.149054637835 2092261 COCCNC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1CC=C 1 2.482 3 4 0 -27.9176438800252 2092258 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC=CC=C2F 1 3.231 1 3 -8.11358200286197 2092254 COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 3.84 2 5 0 -15.1864345170422 2092251 CC(C)(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 3.793 2 4 -15.0943986287205 2092236 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)OC)OC 1 2.419 3 5 0 -19.5343558619864 2092218 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=C(OC(=C3)C)C 1 1.416 2 6 0 -25.899411528681 2092206 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=CC3=CN=CC=C3)C 1 2.965 5 1 -12.9782121648145 2092182 CSC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 3.039 3 1 -7.98146932704731 2092175 CC(=O)C1=CC(=C(C=C1)OC)CN2C(=O)C3(CCCC3)NC2=O 1 1.824 2 4 0 -7.04188340418724 2092167 CCOC1=CC=CC=C1NC(=O)COC(=O)CC2=CSC=C2 1 2.351 1 4 -14.8923580341968 2092165 CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3F 1 3.69 2 2 -4.42648195381228 2092142 C1CN(CCC1C(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4C=C3)S(=O)(=O)C5=CC=CS5 1 3.842 3 3 -1.81351881251469 2092124 CCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CS3 1 3.64 2 1 -7.75479624373425 2092122 COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NC4=CN=C(C=C4)OC 1 2.586 3 5 0 -8.11963390558999 2092120 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NCCS3)C)C 1 3.636 3 3 -15.6512512608961 2092108 CC1=CC(=NO1)NC(=O)CSC2=NN=CN2C3=CC=C(C=C3)OC 1 1.818 5 3 0 -20.446983443131 2092104 CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC(=CC=C2)Cl 1 3.042 2 2 -6.94623922275115 2092066 C1=CC(=C(C(=C1)Cl)NC(=O)CON2C3=C(C=CC(=C3)C(F)(F)F)N=N2)Cl 1 2.164 4 2 2.19689777181236 2092065 CC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 3.269 2 3 -7.57965150937785 2092062 CC1=CC=C(C=C1)CNC(=O)CON=CC2=CC3=C(C=C2)OCO3 1 2.593 2 4 -7.617735389305 2092060 CC(C)CNC(=O)CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=CS2 1 2.545 2 4 -21.0857449657322 2092056 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N3CCOCC3 1 1.107 2 4 0 -12.6582214224232 2092052 CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)CNC(=O)C2=CC=C(O2)Br 1 1.408 2 6 0 -18.7461403325805 2092029 CN1C(=NN=C1SCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C4=CC(=CC=C4)OC 1 1.535 7 5 0 -13.5573289702165 2092000 C1COC(=CO1)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3 1 0.675 2 5 0 -8.24172635165595 2091972 CCNC1=NC(=CS1)C2=CC3=CC=CC=C3O2 1 3.054 2 1 8.37963324913444 2091957 COC1=CC=C(C=C1)C(=O)OCC(=O)NCCN2C(=O)CSC2=O 1 0.798 2 6 0 -22.1191983982259 2091956 CC1=CC=C(C=C1)C(=O)OCC(=O)NCCN2C(=O)CSC2=O 1 1.301 2 5 0 -21.7772751377168 2091944 CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CC2=CSC=C2 1 2.99 1 3 -12.8579625676772 2091912 C1CCC(CC1)NC(=O)COC(=O)CC2=CC=C(C=C2)Br 1 3.386 1 3 -11.0360057064597 2091911 C1CCCC(CC1)NC(=O)COC(=O)CC2=CC=C(C=C2)Br 1 3.842 1 3 -11.0360057064597 2091904 CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC(F)(F)F 1 2.429 2 6 0 -23.6602428403505 2091896 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 2.988 2 4 -4.46057095385957 2091880 C1CCCN(CC1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.888 3 3 -6.01986453415317 2091869 CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=NN=CN3C4=CC=C(C=C4)OC 1 4.213 4 2 -11.8908829913968 2091864 C1CN(CCC1C(=O)O)C(=O)CSC2=NC3=CC=CC=C3S2 1 2.364 2 3 -11.6668333534648 2091751 C1=CC(=CC(=C1)O)NC(=S)NC2=CC=C(C=C2)SC(F)F 1 5.488 2 1 -1.91616273415326 2091725 CCN1C(=NN=C1SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC(=CC=C4)C 1 2.972 6 2 0 -19.4701347484892 2091701 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 0.954 5 4 0 -18.8130595091077 2091677 CCC1=C(C(=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C(=O)OCC)C 1 2.741 3 6 0 -17.9706380044387 2091671 C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl 1 3.711 2 3 -9.6515095399859 2091658 CCC1=CC2=C(S1)N=CN=C2SCC(=O)NC3=NC=C(C(=C3Cl)C)Cl 1 4.845 4 1 -9.90059990544546 2091650 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32 1 1.534 2 5 0 -21.3317048206986 2091642 CN1C=CC=C1C(=O)OCC2=CSC(=N2)C3=CC=CC=C3 1 3.455 2 2 -1.57307878589169 2091630 CC1=CC=C(C=C1)NC(=O)CON=CC2=CC=C(C=C2)N(C)C 1 2.98 3 2 -4.65643330790224 2091627 CC1=CC=C(C=C1)SCCC(=O)NN=CC2=CN=CC=C2 1 2.66 3 1 -5.65948942153311 2091613 C1COCCN1C2=CC=CC=C2NC(=O)CSC3=CC=CC=C3 1 2.858 2 2 -8.33512295479811 2091610 CC1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 1.788 2 3 0 -18.4021168167171 2091605 CC1=CC=C(C=C1)C(=O)NNC(=O)CCOC2=CC=CC(=C2)C 1 2.927 2 3 -8.64488296480148 2091589 C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)NC3=CC=CC4=CC=CC=C43 1 3.67 2 3 -15.5008165965728 2091565 CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCC(=CC3)C4=CC=CC=C4)Cl 1 5.17 1 2 -7.09215884098255 2091546 CCN1C(=NN=C1SCC(=O)NCCC2=CC=C(C=C2)Cl)C3=CC=CS3 1 4.339 4 1 -15.678184560898 2091543 COC1=CC=CC=C1N2C=NN=C2SCC(=O)C3=CC=CN3 1 2.684 4 2 -10.1019755673395 2091540 CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C4=CC=C(C=C4)OC)Cl 1 4.697 2 3 0.270866918163457 2091523 CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=N3 1 3.059 3 1 -7.59499997720124 2091515 COC1=C(C=C(C=C1)CSC2=NC(=O)C3=CC=CC=C3N2)F 1 3.803 2 2 -10.1650182693598 2091512 CN1C(=NN=N1)SCC(=O)NC(=O)NCC2=CC=CC=C2 1 0.647 6 2 0 -21.6372124352686 2091511 CC1=CN2C(=NC(=CC2=O)CSC3=NN=C(N3C)C4=CC=NC=C4)C=C1 1 1.449 6 1 0 -16.1377892159201 2091502 CCOC1=C(C=CC=N1)C(=O)NC2=NC=C(S2)C 1 1.478 3 2 0 -9.03331165488174 2091499 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.725 2 4 -14.6532850359886 2091496 CC1=CN=C(S1)NC(=O)C2=CC3=C(S2)N(N=C3C)CC4=CC=CC=C4Cl 1 3.969 4 1 -10.1264304896775 2091495 CC1=CN=C(S1)NC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.326 5 1 0.183600672918613 2091492 COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)CCC2=CC(=C(C=C2)OC)OC 1 2.977 2 5 0 -13.707331536828 2091469 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCCSC3=NC4=CC=CC=C4 1 4.494 3 2 -10.5608211078429 2091465 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4 1 2.94 3 2 -5.90377959306101 2091464 CC1=C(SC=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.087 2 3 -13.7668218326309 2091447 CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCOCC3 1 0.148 4 4 0 -10.9430917185899 2091443 C1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 1 4.098 2 2 -2.56543307676075 2091432 CNC(=O)CN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 1.37 3 3 0 -9.06142472100087 2091425 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCCCC3 1 0.86 5 3 0 -7.95909922935937 2091420 C1COCCN1CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl 1 3.427 2 2 -5.03345268207093 2091417 COC1=CC=CC=C1CCC(=O)NNC(=O)C2=CC=C(C=C2)Br 1 3.094 2 3 -14.0058608039298 2091406 C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5 1 3.496 2 6 0 -10.2574288947465 2091401 COC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3CCCCC3 1 2.961 4 2 -18.6196672787707 2091399 CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=NC=C(S2)C 1 2.63 3 2 -15.6800371120977 2091391 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CC3=CC=CC=C3F 1 3.766 2 3 -6.37706255434846 2091388 CCC(CC)C1=NN=C(S1)NC(=O)C2=NC3=CC=CC=C3C=C2 1 4.005 4 1 -12.8816290150639 2091387 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CC3=CC(=CC=C3)OC 1 3.544 2 4 -4.02422609368486 2091369 CC1=CC=C(O1)/C=C/C(=O)OCC(=O)NCCN2C(=O)CSC2=O 1 0.823 2 6 0 -18.9046644269035 2091364 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC(=O)NC4=CC=CC=C4 1 3.998 2 3 -4.70706790327365 2091344 CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl 1 5.08 2 3 -10.288146499854 2091335 CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=CC=CC=C2OC 1 3.317 2 4 -21.7338454629338 2091319 COC1=NC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2C(=O)OC 1 1.545 2 5 0 -11.1985512156097 2091318 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC3=C(C=C2)C=NN3 1 2.933 3 2 -2.11932952456552 2091316 COC(=O)C1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)C=NN3 1 1.816 3 4 0 -8.07504300270527 2091314 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C=NN3 1 2.447 3 2 -1.75897825898612 2091311 C1=CC=C2C(=C1)C=CC=C2NS(=O)(=O)C3=CC=CC=C3F 1 3.431 1 2 -2.84241226366497 2091305 C1=CC(=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)C=NN3)Cl 1 2.625 3 2 6.3020431600695e-002 2091296 COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3)F 1 2.381 2 4 -12.6052262018998 2091291 CC(C)(C)NC(=O)NC(=O)COC(=O)CC1=C(C=CC=C1Cl)Cl 1 2.82 2 4 -14.7760414652104 2091275 CC1=CC(=CC(=C1)NC(=O)COC(=O)CC2=CC=CC=C2F)C 1 3.534 1 3 -10.3442147405169 2091268 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(N=CC=C3)Cl 1 2.513 3 3 -10.2336483891628 2091266 CCC1=CC2=C(S1)N=CN=C2SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 2.654 4 2 -18.2590326474423 2091261 CCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 3.21 2 4 -11.9270967076198 2091258 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.919 2 5 0 -9.64928121784996 2091228 CC1=CC=CC=C1C2=NN(N=N2)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.413 5 3 0 -5.13832522326085 2091218 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC=NC3=CC=CC=C32 1 3.613 3 4 0 -16.9461137110768 2091212 CCOC1=CC=CC=C1NC(=O)COC(=O)CSC2=CC=C(C=C2)Cl 1 3.712 1 4 -11.138580413169 2091189 CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)COC3=CC=C(C=C3)Cl 1 3.641 3 2 -7.7640653284198 2091187 CC1=CN=C(S1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 2.303 3 2 -9.06726715432884 2091181 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2=NC3=CC=CC=C3C=C2 1 2.437 3 5 0 -9.8306433251637 2091172 CC1=C(NC(=C1C(=O)C)C)C(=O)N(C)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.196 2 2 -6.72459791581211 2091162 CC1=CN=C(S1)NC(=O)CC2=CC(=C(C(=C2)OC)OC)OC 1 1.742 2 4 0 -9.20799942989322 2091158 COC1=CC=CC(=C1)NC(=O)COC2=CC3=C(CCC3)C=C2 1 3.49 1 3 -6.80710026437509 2091148 CCC(CC)C1=NN=C(S1)NC(=O)C2=C(N=CC=C2)SC 1 3.321 4 1 -16.4580495294129 2091144 CCC(CC)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 4.166 4 3 0 -26.3445265214319 2091134 COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=C(C=CS2)C(=O)N 1 1.389 2 5 0 -12.4752129618811 2091132 CCC(CC)C1=NN=C(S1)NC(=O)CCC2=CC=CC=C2OC 1 3.865 3 2 -17.4233186336428 2091123 C1=CC=C(C(=C1)C2=NN=C(O2)COC3=CC=CC=C3Cl)Br 1 4.302 2 2 -5.81399099023394 2091118 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)Br 1 3.245 3 1 -0.818947136483587 2091116 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3Cl 1 3.168 3 1 -8.19150481004684 2091094 CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC(=C(C(=C3)OC)OC)OC 1 2.944 2 4 -8.85858704050726 2091093 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC 1 2.889 3 1 -9.7379742006934 2091092 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N(C)C4=CC=CC=C4 1 4.317 3 3 -11.0428620014913 2091084 C1=CSC(=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)O 1 3.118 1 3 -11.9137061565607 2091082 CCOC(=O)C1=CC(=NC2=C1C(=NO2)C)C3=CC4=C(C=C3)OCO4 1 2.734 2 5 0 -5.87938560538426 2091030 C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4 1 4.689 4 3 0 3.42162755187015 2091029 COC1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4 1 4.672 4 4 0 3.77620922108945 2091027 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.894 4 3 0 4.90105245569884 2091022 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)Br)CNC(=O)/C=C/C(=O)O 1 4.122 3 3 10.2308153519088 2091003 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)Br)CNC(=O)CCC(=O)O 1 3.724 3 3 1.58082121352179 2090991 CC1=NC2=CC=CC=C2C=C1C(=O)NCC3=CC=C(C=C3)F 1 3.295 2 1 -4.56600144353029 2090990 CC1=NC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3OC 1 3.067 2 2 -5.47784032363053 2090986 CC1=CC=C(S1)S(=O)(=O)NCC2=CN=CC=C2 1 1.105 2 2 0 -4.41711893607476 2090984 CC1=CC=C(S1)S(=O)(=O)N2CCOCC2 1 0.566 1 3 0 -11.8892633843266 2090982 CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.419 2 2 -8.28201568121832 2090956 C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCNCC3)OC1 1 0.216 2 4 0 -17.8083540701815 2090928 C1=CC=C(C=C1)NC2=NC(=C(S2)C=O)Cl 1 2.664 2 1 1.828963192316 2090922 CCCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3CCl 1 3.257 4 1 -6.56178095535545 2090918 C1=CC=C(C=C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)SC(F)F 1 3.72 1 3 -10.0741632286643 2090916 C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CC(=O)NC5=CC=CC=C54 1 2.727 5 2 0 -19.3504479467646 2090913 C1CN(CCN1C2=CC=CC=C2O)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5 1 5.01 4 1 6.96660442522952 2090862 CC(C)C1=NC(=NN1)SCC(=O)NC(=O)NC(C)(C)C 1 1.814 5 2 0 -14.1454507257291 2090861 CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)NC4=CC=CC=C4Cl)C 1 5.85 3 1 -8.08022564981988 2090859 C1=CC(=CC=C1CCNC(=O)COC2=CC=C(C=C2)N3C=NN=N3)F 1 1.87 5 2 0 -19.0102140165878 2090854 C1CC2=C(C1)C=C(C=C2)OCC(=O)NCC3=CC(=CC=C3)Cl 1 4.178 1 2 -8.55282591499457 2090852 CC1=CC(=NO1)NC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3 1 2.282 3 5 0 -20.739292342699 2090851 CC1=CC(=NO1)NC(=O)COC2=CC3=CC=CC=C3C=C2 1 2.497 2 3 -11.1425101906396 2090847 C1=CC=C(C=C1)CCNC(=O)C2=CNC(=O)C=C2 1 0.749 2 2 0 -11.0623781099325 2090828 C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)Br 1 3.154 2 3 -13.9301483090652 2090804 COC1=CC=C(C=C1)C(=O)NNC(=O)C2=NC3=CC=CC=C3C=C2 1 2.47 3 3 -6.35083460176408 2090794 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=NOC(=C3)C 1 3.017 2 5 0 -19.0014437260108 2090793 CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C 1 3.099 3 2 -23.5402680808953 2090790 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(C(=C(N3)C)C(=O)C)C 1 3.927 3 2 -5.37707619349778 2090761 C1CCC(C1)C(=O)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5N4 1 5.23 3 1 -3.50480225027646 2090740 C1=COC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Cl 1 3.815 3 2 -12.3916453459856 2090725 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC4=C(C=C3)N=C(S4)C 1 3.428 3 1 -5.421163754019 2090720 CCOC1=CC=C(C=C1)OCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br 1 2.05 2 5 0 -15.6069927634004 2090719 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NCCN(C)C)C 1 4.593 4 2 -11.6610270136673 2090716 C1CCC(CC1)NC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 2.801 1 4 -11.7488149487836 2090715 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCCCCC3)OC 1 4.385 2 4 -17.2138673172692 2090709 CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)Cl 1 3.197 3 1 -11.2276210872996 2090702 CCC(=O)C1=CC=C(C=C1)OCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC 1 3.111 1 5 -16.8813151946357 2090699 COC1=C(C=C2CN(CCC2=C1)C(=O)COC3=CC=C(C=C3)C#N)OC 1 2.583 2 4 -15.2138585425278 2090693 C1=CC(=CC=C1CCNC(=O)C2=CC(=CN=C2)Br)S(=O)(=O)N 1 1.245 3 3 0 -11.5457815484589 2090691 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CC3=CC=CC=C3)OC 1 3.56 2 3 -4.53577344556406 2090688 CC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)N=C(S3)C 1 3.28 2 2 -3.70130233479513 2090686 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4)OC 1 2.54 4 4 0 -21.6462169150691 2090678 COC1=CC=C(C=C1)CC(=O)NNC(=O)C2=C(C=CC(=C2)Cl)OC 1 2.537 2 4 -7.71405746479435 2090677 C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC3)C4=NC5=CC=CC=C5N4 1 4.318 3 1 -7.19984918231946 2090660 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=CC3=CC=CC=C3C=C2 1 3.794 2 4 -8.1504255285951 2090656 CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=CC=C4)C 1 3.312 3 5 0 -20.2079945579841 2090648 C1CC1N2C(=O)NN=C2SCC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.071 4 2 -16.2492546534069 2090646 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 1.407 3 7 0 -17.4721573115259 2090637 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)Br 1 3.64 2 2 -3.56739765837242 2090625 CC1=CN2C(=NC(=CC2=O)CSC3=NN=C(S3)NC4=CC=CC=C4OC)C=C1 1 2.475 5 2 0 -19.3563413313726 2090620 C1=COC(=C1)CNC(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.185 2 6 0 -18.7448326820923 2090618 CC1=CC(=C(C=C1)OC)NC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl 1 4.059 3 2 -11.521418073119 2090615 C1=COC(=C1)CNC(=O)C2=CN=C(C=C2)Cl 1 1.526 2 2 0 -11.3120935671916 2090603 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)CC3=CC=CC=C3 1 3.396 3 3 -23.6390514435878 2090582 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=CC=N2 1 1.644 3 2 0 -11.1292604296919 2090567 C1CCC2=C3C(=NN(C3=O)C4=CC=CC=C4)N=C(N2CC1)SCC(=O)C5=CC(=C(C=C5)O)O 1 3.331 4 4 0 -8.84543933397831 2090563 CC(C)N(C(C)C)C(=O)CN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 3.029 3 3 -8.93582529895428 2090558 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC 1 2.954 4 5 0 -8.47533872025809 2090523 COC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=O)N2C3CC3)Cl 1 2.391 4 3 0 -18.7041582040366 2090508 C1CN(CCN1C(=O)CNC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)/C=C/C3=CC=CC=C3 1 1.494 3 4 0 -12.2842681848173 2090489 CC(C)CSC1=NC(=O)C2=CC=CC=C2N1 1 3.222 2 1 -9.68048279124728 2090488 C1CCC(CC1)NC(=O)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 2.559 4 2 -5.8912267797884 2090474 C1CN(CCN1CC2=CC=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3 1 3.681 4 1 0.222479474988031 2090468 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC(=O)NCC3=CC=CO3 1 1.466 4 3 0 -6.47452892144641 2090465 CCN1C(=NN=C1SCC(=O)NCCC2=CC=C(C=C2)F)C3=CC=CS3 1 3.88 4 1 -16.7883062260195 2090455 CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4 1 5.558 4 2 -12.3370046999926 2090441 CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC4=CC=CC=C4)Cl 1 4.625 2 2 -1.13903879805694 2090427 CN1C(=NN=N1)SCC(=O)NC(=O)CC2=CC=CC=C2 1 0.766 5 2 0 -19.2160677989304 2090426 COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)NC(=O)N4 1 1.605 5 4 0 -28.594417830626 2090421 CCCC(=O)OCC(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C 1 3.96 3 3 -14.711268721408 2090394 COC1=CC=C(C=C1)CCNC(=S)N2CCC(CC2)C(=O)N 1 2.556 3 2 -11.9508242914647 2090380 C1CCC(CC1)NC(=O)COC2=CC=C(C=C2)N3C=NN=N3 1 1.618 5 2 0 -19.3806896840212 2090368 CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)Br 1 3.742 2 1 -4.33478127812404 2090359 CC1=C(SC=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)C 1 3.398 2 1 -6.1000848990902 2090334 CCOC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CS3 1 3.262 2 5 0 -14.9839547933028 2090330 CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.88 3 6 0 -17.0306388410351 2090329 CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)N=C(S3)C 1 3.201 2 3 -8.75820642715702 2090322 COC1=CC=C(C=C1)CCC(=O)NNC(=O)C2=C(C=CC(=C2)Cl)OC 1 2.994 2 4 -10.1645655175944 2090314 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCCC4=CC=CC=C43 1 2.146 5 3 0 -16.8652073168172 2090310 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 1.656 4 5 0 -4.8800096211761 2090309 COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)CC3=CC=CC=C3 1 2.648 3 4 0 -20.397292681952 2090303 COC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 2.93 2 4 -16.8539540557781 2090297 C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)NCCC3=C(C=C(C=C3)Cl)Cl 1 2.81 3 3 -10.3858504818889 2090295 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=NOC(=C3)C 1 2.631 3 5 0 -21.9264609699097 2090294 COC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=C(N=CC=C3)Cl 1 2.402 5 2 0 -15.9251421726025 2090286 CCN1C(=NN=C1SCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)C3=CC=CC=C3 1 3.769 4 2 -10.8720421037284 2090264 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC 1 3.118 3 4 0 -20.0498142217852 2090263 CC1=CC(=NO1)NC(=O)CSC2=NNC(=N2)C3=C(C=C(C=C3)Cl)Cl 1 3.681 5 2 0 -12.5636364776925 2090259 COC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3CCCC3 1 2.505 4 2 -18.2651987646026 2090255 CCN1C(=NN=C1SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C)C4=CC=CS4 1 5.526 6 1 0 -16.1531532170069 2090233 CCCN1C(=C(C(=O)N(C1=O)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)N3CCCCC3)N 1 3.497 5 4 0 -7.23007425515361 2090232 CCOC(=O)C1=C(NC(=C1C)C(=O)CN2N=C(N=N2)C3=CC=CC=C3Cl)C 1 3.646 5 3 0 -4.53520394563243 2090209 COC1=CC=CC(=C1)NC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CS3 1 2.913 2 5 0 -16.5137691124642 2090190 COC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C32)S(=O)(=O)N4CCOCC4 1 1.683 2 5 0 -26.1878996269104 2090189 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C43)OC 1 3.328 2 4 -22.217064710162 2090182 CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)NC3=NCCS3)OC 1 2.535 3 4 0 -24.3096979771487 2090174 CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3C4=CC=CC=C4 1 3.812 4 2 -7.33389407791159 2090123 C1CN(CCN1CCC2=CC=CC=N2)C(=O)C3=CC=CC=C3 1 2.097 3 1 -5.43947981557016 2090114 C1C(=O)N/C(=C/S(=O)(=O)C2=CC=C(C=C2)Cl)/S1 1 1.524 1 3 0 -7.06627225963111 2090111 CN(C)CC1=NC2=CC=CC=C2C(=O)N1CC#N 1 0.771 4 1 0 -5.60873533973827 2090086 CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.306 4 3 0 -16.0704050833747 2090029 CCC(C)(C)NC(=O)CCCSC1=NC2=CC=CC=C2N1 1 3.513 3 1 -14.0455975557162 2090057 COC1=C(C=C(C=C1)CC(=O)NC2=NN=C(S2)SCC=C)OC 1 2.79 3 3 -21.1750445717842 2090048 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CN=C3)Br 1 2.557 3 1 -3.95381560922402 2090047 CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=C(C=CC=C3Cl)F 1 3.864 2 1 -6.96293676894355 2090046 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=C(C=C3)Cl 1 2.682 3 1 -6.37228152282787 2090020 C1CN(C2=CC=CC=C21)C(=O)CC3=CNC4=CC=CC=C43 1 3.223 2 1 -11.7616412946495 2090018 C1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F 1 3.486 2 3 -2.32937274594236 2090012 CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C3=CC=CC=C3)Cl 1 4.056 2 6 0 -19.9683203527351 2090004 C1C(=O)N(C(=O)S1)CCNC(=O)CSC2=NN=C(S2)NC3=CC=CC=C3 1 1.429 5 3 0 -26.7860373024686 2089989 CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCC4=CC=CC=C43 1 2.556 4 3 0 -12.532762598179 2089985 CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCCC4=CC=CC=C43 1 3.012 4 3 0 -13.3986885942885 2089978 CC1=NC(=C(C=C1Cl)Cl)NC(=O)CSC2=NN=CN2C3=CC=CC=C3OC 1 3.679 5 2 0 -12.6149331055047 2089966 CN1C2=CC=CC=C2C3=C1SC(=C3)C(=O)OCC(=O)N4CC(=O)NC5=CC=CC=C54 1 2.864 3 4 0 -15.0214851920191 2089936 CC1=C(N=C(N=C1C)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C 1 1.894 5 2 0 -19.5416818292823 2089929 CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC(=O)NCCN3C(=O)CSC3=O)C 1 2.402 5 3 0 -26.4845567272028 2089927 CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCCCC3 1 1.377 4 3 0 -8.54448550767781 2089922 C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5 1 4.133 4 3 0 -20.8174059288502 2089905 C1=CC2=C(C(=C1)OCC(=O)NCC(F)(F)F)N=CC=C2 1 2.067 2 2 -15.6993992244919 2089900 C1=CC=C(C(=C1)C2=NN=C(O2)COC3=CC=CC4=C3N=CC=C4)Br 1 3.824 3 2 -10.4264307736574 2089892 C1CC1C2=NN=C(S2)NC(=O)C3=CN=C(C=C3)Cl 1 1.83 4 1 0 -10.9173669600455 2089891 COC1=CC=CC=C1N2C=NN=C2SCC(=O)C3=CNC4=CC=CC=C43 1 3.592 4 2 -8.60420797044574 2089888 COC1=CC=CC=C1N(CC(=O)NC2CCCCC2)S(=O)(=O)C3=CC=CS3 1 3.211 2 4 -19.4581116169642 2089876 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=CC=C2N3CCOCC3 1 3.248 2 4 -5.92364993957588 2089854 C1CC2=CC=CC=C2N(C1)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.934 2 3 -18.7316327082955 2089785 CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)/C=C\2/C(C3=CC=CC=C3N2C)(C)C)C 1 3.959 2 4 -2.93588293440929 2089757 CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N2CCC3=CC=CC=C32)C 1 2.823 2 5 0 -18.0239294866 2089751 CCCCNC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1CC=C 1 3.941 3 3 -27.2022175766555 2089750 C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3CCCC3)SC=C2C4=CC=CO4 1 4.015 3 3 -23.9805293177805 2089737 COC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.96 2 4 -20.9572624034477 2089706 CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32 1 2.145 2 6 0 -18.4583734909385 2089699 C1=CC=C(C=C1)C[C@@H](C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.264 4 3 0 -5.23311593028496 2089697 CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl)N 1 0.471 4 7 0 -21.347580325426 2089693 CCCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 3.734 2 4 -15.121038547666 2089683 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.754 2 5 0 -15.7391964546363 2089681 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)C 1 3.43 4 2 -4.44291382291524 2089669 CCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)N=CS3 1 2.1 4 1 -15.8050388708815 2089660 CC(=O)OCC(=O)NC1=CC(=C(C=C1)OC)Cl 1 1.305 1 4 0 -6.94627182612679 2089642 C1=CC=C(C=C1)OCCCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.728 2 5 0 -15.7498144025166 2089640 CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC 1 3.441 1 6 0 -14.6810579735669 2089618 C1=CC=C(C=C1)CCCNC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3 1 1.98 6 1 0 -18.9334066541816 2089613 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCCN3C(=O)CSC3=O 1 0.519 4 6 0 -25.4525012686196 2089610 CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2 1 1.97 1 5 0 -17.833267232633 2089599 CC1=CN=C(S1)NC(=O)C2=CC3=C(C=C2)N=CS3 1 1.841 3 1 0 -8.13714234699474 2089592 CCC(C)(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2 1 1.868 2 3 0 -17.2506930304589 2089584 CC(C)[C@@H](C(=O)NC1=CN=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)OC 1 2.357 3 4 0 -20.8283034960112 2089578 C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5O4 1 4.133 4 2 -3.26198229281775 2089572 C1=CC=C(C(=C1)SCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Cl 1 3.815 2 3 -9.41849761628821 2089563 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)F 1 4.516 3 2 -3.4786501545518 2089560 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)F 1 2.407 4 4 0 -20.5758698929115 2089556 CCC(CC)C1=NN=C(S1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC=C2)C 1 4.264 4 2 -21.446730385595 2089553 COC1=CC(=CC(=C1OC)OC)CCC(=O)NNC(=O)C2=CC(=CC=C2)Cl 1 2.977 2 5 0 -12.3037078232004 2089537 COCCNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 -0.581 2 7 0 -31.5770543550647 2089523 COC1=CC=CC=C1CNC(=O)CCC2=NC(=O)C3=CC=CC=C3N2 1 1.819 3 3 0 -18.8615349651553 2089522 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=CC(=C3)Br)Cl 1 2.408 4 1 -2.18296040195557e-002 2089511 CCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C 1 1.562 2 3 0 -11.9648295587411 2089510 CC1=C(C(=NN1CCOC2=CC(=CC=C2)Br)C)[N+](=O)[O-] 1 3.183 3 3 -1.03637005232879 2089504 C1=CC=C2C(=C1)C(=NC=N2)OCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.388 3 3 1.70441170603644 2089490 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)OC 1 4.633 2 4 -16.961311406249 2089487 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.041 2 8 0 -11.4596346962589 2089484 COC1=CC=C(C=C1)CCNC(=O)C2=NNC(=O)C3=CC=CC=C32 1 2.076 3 3 -13.8263212936638 2089481 COC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CN3C(=O)C4=CC=CC=C4N=N3)C5=CC=C(C=C5)OC 1 3.911 5 5 0 -16.9952256523316 2089472 CC1=C(C(=NO1)C)C(=O)NCCC2=CC=C(C=C2)OC 1 1.808 2 3 0 -11.4083601358322 2089466 CNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 2.861 2 4 -11.4032851699327 2089464 CC(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 3.588 2 4 -16.5286900148167 2089451 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC(=CC=C2)Cl 1 3.689 1 3 -5.4643746762473 2089449 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NC2=C(C=CC(=C2)OC)OC 1 1.743 2 7 0 -15.010227978613 2089447 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=NN=C(O2)C3=CC=CC=C3 1 2.216 3 5 0 -11.6053775857735 2089415 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCCC2=CC=C(C=C2)Cl 1 3.719 1 3 -14.7690234463448 2089412 CCC(CC)NC(=O)CCCSC1=NC2=CC=CC=C2N1 1 3.831 3 1 -14.7588053843461 2089407 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCCC3=CC=C(C=C3)Cl 1 4.221 2 1 -6.78671353511296 2089404 COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C3=CC=CC=C3N=CC2=O)C(=O)OC 1 1.308 3 6 0 -11.4538863711442 2089384 CC(C)(C)NC(=O)NC(=O)CN1CCN(CC1)C2=CC(=CC=C2)Cl 1 2.385 4 2 -2.51397036009245 2089376 C1=CC2=C(C=C1C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl)SC=N2 1 3.122 3 3 -8.60529192772092 2089374 C1=CC=C(C=C1)NC2=NN=C(S2)SCN3C(=O)C4=CC=CC=C4N=N3 1 3.933 6 1 0 -21.6833806449255 2089372 C1=CC=C(C(=C1)C2=NN=C(O2)COC3=CC=CC=C3C(=O)N)Br 1 2.64 3 3 -9.38021973443991 2089366 C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(S3)NC4=CC=CC=C4 1 1.948 5 2 0 -20.1699802535903 2089362 CC1=CC(=NO1)NC(=O)CSC2=NN=C(S2)NC3=CC=CC=C3 1 2.075 5 2 0 -22.4521005052433 2089356 CCCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC=C2)OC)CCC 1 2.421 3 4 0 -6.58354571246819 2089344 C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(S3)NC4=CC=CC=C4)[N+](=O)[O-] 1 3.366 4 4 0 -10.4304846407237 2089337 CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NN=C(O3)C4=CC=CC=C4Br 1 4.154 2 4 -10.5177056467379 2089329 CCC(CC)NC(=O)CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=CS2 1 3.127 2 4 -18.3543969194933 2089323 CCCCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)C(=O)C 1 3.891 3 1 -14.1833833017576 2089322 CCNC(=S)N1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2 1 2.068 3 2 -14.2688340607296 2089318 CC(C)C1=NC(=NN1)SCC(=O)C2=CNC3=CC=CC=C32 1 3.592 4 1 -2.09891503193105 2089314 CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-] 1 2.802 2 6 0 -8.66126805948293 2089311 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 0.27 4 5 0 -12.5153769066848 2089296 C1COCCN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)F)Cl 1 4.578 3 2 -17.4200487041807 2089274 COC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=C(C=C(C=N3)Cl)Cl 1 3.397 5 2 0 -11.126684956641 2089268 C1=CC=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3N2 1 3.634 3 1 -9.73774979261968 2089262 CC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)NC3=CC=C(C=C3)C 1 4.576 2 1 -2.98984075094002 2089261 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=N3 1 2.85 3 2 -6.85849178534519 2089255 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)C3=CC=CC=C3F 1 3.788 3 1 -13.22505757447 2089223 COC1=CC=CC=C1N2C=NN=C2SCC(=O)N3CC(=O)NC4=CC=CC=C43 1 1.692 5 3 0 -21.6713204468969 2089202 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 1 3.596 2 3 -0.404350113656588 2089192 C1=CC=C2C(=C1)C=CC=C2COC3=CC=CC=C3C(=O)N 1 3.307 1 2 -1.27963923126581 2089189 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C4=CC=CC=C4OC3=O 1 2.869 2 4 -1.13045152467494 2089148 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCC2=CC=CC=C2 1 3.296 1 3 -12.5469984375664 2089167 C1CC1N2C(=O)NN=C2SCC(=O)NCC3=CC=CC=C3 1 1.749 4 2 0 -22.5592218767494 2089124 COC1=CC=C(C=C1)CCC(=O)NNC(=O)C2=CC=C(C=C2)OC 1 2.329 2 4 -11.3337033101389 2089118 CN1C(=NN=C1SCC2=CC(=C(C=C2)OC)F)C3=CC=NC=C3 1 3.03 4 1 -6.59463808612979 2089117 CN(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)C2CCCCC2 1 1.52 3 3 0 -13.7815204420993 2089093 COC1=CC(=CC(=C1)C(=O)NNC(=O)CCCOC2=CC=CC=C2)OC 1 2.243 2 5 0 -13.5621889768135 2089074 COCCN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC=NC=C3 1 8.e-002 5 3 0 -19.8561154593299 2089062 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=NN=C(S3)C4CC4 1 3.433 5 1 -13.0675776015224 2088994 C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N 1 3.762 4 0 -10.0132471090659 2089022 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=NC=C3 1 1.239 2 3 0 -9.44026920950471 2089017 CC1=CC(=CC=C1)S(=O)(=O)NC2=CC=NC=C2 1 1.653 2 2 0 -1.04322151774933 2089001 CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)C4=CC=CC=C4 1 1.573 6 3 0 -5.00611764263419 2088982 CC1=CC(=CC=C1)N2C(=NN=N2)SCC3=CSC(=N3)C4=CC=CC=C4 1 4.465 5 0 -6.62005036247951 2088974 C1CSC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4 1 4.189 3 1 -14.6189454812153 2088972 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4 1 3.953 3 3 -6.83153387779694 2088957 COC(=O)C1CCN(CC1)C(=O)COC(=O)CN2C=NN=N2 1 -1.56 5 5 0 -23.788937418407 2088956 C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC4=CC=C(C=C4)[N+](=O)[O-] 1 4.927 3 5 0 -17.4342268381869 2088954 C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4 1 3.549 3 7 0 -23.4757357901555 2088952 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCC(CC3)C(=O)OC 1 2.005 3 4 0 -8.10516841622175 2088946 COCCNC(=O)CN1C(=O)C2(CCCCCC2)NC1=O 1 0.358 3 4 0 -15.0695396318522 2088903 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl 1 3.885 3 3 2.73663051062 2088886 CC1=CC=C(O1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 3.673 1 2 2.81693900831107 2088884 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3(CCCCC3)N(C)C 1 3.933 3 3 -18.7652476153472 2088873 CC1=C(C=C(C=C1)CC(=O)NC2=NC3=CC=CC=C3N2)C 1 3.679 3 1 -1.70410823513323 2088850 C1CN(C2=CC=CC=C21)C(=O)COC3=NC4=CC=CC=C4N=C3N5CCOCC5 1 2.502 4 3 0 -10.5423198282668 2088816 CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC)C(=O)O 1 4.12 4 4 0 -15.1772261062736 2088797 CCCNC(=O)[C@H](C)NC(=O)C1=CC=C(C=C1)Br 1 2.203 2 2 -15.3913519812874 2088787 C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)NCCO 1 2.618 1 2 -6.44723935499644 2088777 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=COCCO4 1 2.31 2 3 -11.8649721800493 2088732 CCOC(=O)C1=CC(=NC2=C1C(=NO2)C)C3=CC=C(C=C3)Cl 1 3.63 2 3 -2.9961031679628 2088731 CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC#N)C)C3=CC=C(C=C3)Cl 1 3.805 4 2 -6.35290161783017 2088728 CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)O)C4=CC=CC=N4 1 3.536 4 3 0 -2.74296154415957 2088727 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4 1 0.659 2 9 0 -26.8260448241124 2088722 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)O 1 2.298 1 4 -10.9879854559868 2088635 C1CN(CCN1C(=O)CN2/C(=C/C#N)/SC3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4 1 1.942 4 4 0 -21.2818569215907 2088625 CC1=CC=CC=C1NC(=O)CSCC2=NC(=O)C3=C(N2)C=CS3 1 2.386 3 2 -16.1106405084119 2088608 CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(O3)C4=CC=CO4 1 3.99 2 5 0 -5.57946513634574 2088601 CC1=CC=CC=C1NC(=O)CSCC(=O)NC2=CC=CC=C2C 1 3.04 2 2 -9.75612141283866 2088593 C1=CC=C2C(=C1)NC(=O)N2CCCSCCCN3C4=CC=CC=C4NC3=O 1 2.354 4 2 -6.37454927332097 2088590 CCC1=CC=C(C=C1)NC(=O)CSCCN2C(=O)C3=CC=CC=C3C2=O 1 3.054 2 3 -9.99016875846582 2088545 CC1=C(N=C(N=C1C)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C 1 2.679 4 4 0 -12.585670806475 2088525 CCC1=NN=C(S1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC=C2)C 1 2.889 4 2 -23.1596370416506 2088507 CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)NC3=NCCS3)Br 1 3.137 3 3 -24.9280217723406 2088506 C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=CC=CC=C4N3 1 3.982 4 3 0 -17.7041681606194 2088501 CC1=CC(=NC2=NC(=NN12)C(=O)NC3=CC4=C(C=C3)OCO4)C 1 1.46 5 3 0 -12.9716328803924 2088500 C1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.272 2 3 -15.1649509978185 2088495 C1CSC(=N1)NC(=O)CCCSC2=NC3=CC=CC=C3N2 1 3.122 4 1 -16.3624914813774 2088492 CCOC(=O)C1=CC=CC=C1NC(=O)C2=NN3C(=CC(=NC3=N2)C)C 1 1.896 5 3 0 -17.347780828692 2088490 CC1=CC(=C(C(=C1)C)NC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4)C 1 6.235 1 3 1.13253754717078 2088488 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CC1=C(C(=NC=C1Cl)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C)Cl 1 4.167 5 1 -15.2140908706467 2088283 C1=CC=C(C(=C1)CNC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)Cl 1 3.43 2 4 -12.9254189342507 2088271 C1CC1C2=NN=C(S2)NC(=O)C3=NNC(=O)C4=CC=CC=C43 1 1.256 5 2 0 -15.7579395146746 2088264 CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCC(=CC3)C4=CC=CC=C4)C 1 4.992 1 2 -6.91465306705147 2088251 CCOC1=CC=C(C=C1)CC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br 1 2.25 2 4 -14.4995662355681 2088239 C1CCC(CC1)NC(=O)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.266 4 4 0 -20.2233681770887 2088232 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCC(=CC3)C4=CC=CC=C4)C 1 4.992 1 2 -4.4817345134924 2088214 COC1=C(C=C2CN(CCC2=C1)CC(=O)NC(=O)NC3CCCCC3)OC 1 2.643 3 4 0 -15.486916857517 2088195 C1CCCN(CC1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl 1 2.873 3 1 -5.95090480677264 2088165 C1CN(CC=C1C2=CC=CC=C2)CC(=O)NC(=O)NCC3=CC=CC=C3 1 2.829 3 2 -10.5289223923035 2088142 CC(=O)N1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 0.732 4 4 0 -8.86987267238446 2088134 C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=NNC3=CC=CC=C32 1 1.999 4 4 0 -18.2190818920449 2088075 CN(C)C(=O)COC1=C2C(=CSC2=NC=N1)C3=CC=C(C=C3)F 1 2.624 3 2 -2.34595892702407 2088073 C1=CC=C(C=C1)OCCOC2=NC=NC3=CC=CC=C32 1 3.543 2 2 2.51797168230515 2088069 C1=CC=C(C=C1)OCCOC(=O)C2=NNC3=CC=CC=C32 1 3.389 2 3 -12.1117040507428 2088068 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=NNC3=CC=CC=C32 1 1.511 4 5 0 -20.3740626782996 2088045 CCC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 3.544 4 2 -11.9146156071733 2088000 CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC=C(O3)C(=O)OC 1 3.544 3 4 0 -13.7503402923021 2087990 CN1C(=NN=C1SCC(=O)N2CCCC3=CC=CC=C32)CC4=CC=CS4 1 3.769 4 1 -18.6112532611483 2087894 C1CN(C2=CC=CC=C21)CC(=O)NCC3=CC=CC=C3Cl 1 3.374 2 1 -17.7025052024568 2087892 CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCCC4=CC=CC=C43 1 2.663 4 3 0 -15.5806654701294 2087887 CC1=CSC(=N1)SCC(=O)NC2=C(C=CS2)C#N 1 1.953 3 1 0 -19.0978883079039 2087886 CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)N3CCOCC3 1 2.52 2 3 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CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=CC=C3OC 1 2.977 2 2 -7.40907242028583 2087787 COC1=C(C=C(C=C1)CCC(=O)NC2=NCCS2)OC 1 2.56 2 3 -17.796653987593 2087778 C1C(=O)N(C(=O)S1)CCNC(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br 1 2.455 5 3 0 -19.8729509800061 2087772 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC(=O)NCC3=CC=CC=C3 1 1.607 5 3 0 -11.4583947773429 2087768 CC(C)C1=NC(=NN1)SCC(=O)N2CCC3=CC=CC=C32 1 2.96 4 1 -12.8768862276467 2087766 CC1=CN2C(=NC(=CC2=O)CSC3=NN=C(S3)NC4=CC=CC=C4F)C=C1 1 2.696 5 1 -18.0493340058596 2087749 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=N2 1 1.477 3 6 0 -14.3628844349233 2087725 CC(C)(C)NC(=O)NC(=O)CN1CCC2=CC(=C(C=C2C1)OC)OC 1 1.716 3 4 0 -17.604012629407 2087720 CCCOC1=CC(=C(C=C1)C=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C 1 2.62 2 4 -10.9834307402134 2087708 CC(C)C1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.465 4 3 0 -13.0789940209583 2087647 C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC#N 1 1.711 3 3 0 -9.23270126703261 2087630 C1CN(CCC1CC2=CC=CC=C2)CC(=O)NC(=O)NCC3=CC=CO3 1 2.582 3 3 -4.8064785349857 2087618 CCOC1=C(C=CC(=C1)C=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C 1 2.096 2 4 -18.5503968254937 2087588 CC(C)(C)NC(=O)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC 1 3.217 4 2 -10.7537269991322 2087587 CNC(=O)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC 1 2.285 4 2 -6.45191962817937 2087586 C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC(=O)N 1 2.127 2 3 -12.3729283741669 2087577 CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.205 2 7 0 -9.25414099462731 2087569 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC(=O)NCC3=CC=CO3 1 2.52 4 3 0 -8.83562968458436 2087561 C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.766 3 5 0 -17.6640267968583 2087553 COC1=C(C=C(C=C1)CNC(=O)CN2C3=CC=CC=C3OC2=O)OC 1 2.156 2 5 0 -13.8961938269559 2087552 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)N 1 1.994 4 5 0 -17.1992916900709 2087548 CCC1=CC2=C(S1)N=CN=C2SCC(=O)NC3=NC=C(C=C3)Cl 1 3.694 4 1 -10.2902206252734 2087547 CC1=CC(=CC(=C1)NC(=O)CCCSC2=NC3=CC=CC=C3N2)C 1 4.607 3 1 -9.801446656064 2087530 C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=NC=C2 1 1.171 2 3 0 -9.16193566328683 2087512 CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=NNC3=CC=CC=C32 1 2.955 3 3 -19.521451450922 2087499 C1CCC(C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl 1 3.555 3 1 -7.35438200773896 2087492 CN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C#N)C3=CC=CC=C3 1 2.71 5 1 -15.9991960170743 2087479 CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=CC(=O)N4C=C(C=CC4=N3)C 1 2.461 6 2 0 -25.8791356145199 2087469 CCC(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC 1 1.202 2 6 0 -12.5044392275684 2087468 CC1=C(SC=C1)C(=O)OCC(=O)NCC2=CC=CO2 1 1.95 1 4 0 -17.609866498906 2087465 CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5 1 4.163 4 2 -17.6729502894143 2087463 C1=CC=C2C(=C1)C(=NN2)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3 1 1.362 4 5 0 -19.156852547871 2087459 C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC(=O)NC3=C(C=CS3)C#N 1 3.575 3 3 -18.4868616831311 2087454 CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC(=O)NC3CCCCC3 1 1.882 5 3 0 -12.1427456349602 2087452 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C1COCCN1C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4 1 2.141 3 5 0 -12.7114795441693 2084622 CCSC1=NN=C(S1)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 2.522 3 3 -19.5358987115126 2084612 C1=CC=C(C(=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])Cl 1 2.151 4 4 0 -10.8020195758013 2108231 CC1=CC(=C(N1C)C)C(=O)CSC2=NN=NN2C3=CC=C(C=C3)O 1 2.404 5 2 0 -14.73415928319 2108229 CC1=CC(=CC(=C1)OCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3)C 1 3.568 2 4 -8.8579782846047 2108163 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N 1 2.827 2 7 0 -17.5297628638904 2108154 CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)OC)C 1 1.724 2 3 0 -10.9324854718989 2108142 C1=CC=C2C(=C1)C(=CN2)CC(=O)NCC3=CC=CO3 1 2.131 2 2 -12.6267793281762 2108141 CN(C)C1=CC=C(C=C1)C(=O)NCC2(CCCCC2)N(C)C 1 3.053 3 1 -10.0544966466195 2108139 CN(C)C1=CC=CC(=C1)C(=O)NCC2(CCCCC2)N(C)C 1 3.053 3 1 -11.1052504003155 2108126 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC5=C4CCCC5 1 4.882 3 2 0.856956832794436 2108124 CCOC1=CC=C(C=C1)C(=O)NCCCN2CCCC2=O 1 1.086 2 3 0 -21.9570954814376 2108087 CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(O2)COC3=CC=C(C=C3)OC 1 2.407 3 5 0 -20.4182362255671 2108079 CC1=C(C(=NO1)C)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F 1 4.984 4 1 -16.6051743912276 2108078 COC1=C(C=C(C=C1)CNC(=O)CSC2=NC=NN2)OC 1 1.283 4 3 0 -20.9593591765018 2108058 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)NC4=CC5=C(C=C4)OCCO5 1 3.067 3 6 0 -4.22031300272464 2108046 CCOC(=O)C1=CN=C2N(C1=O)C3=C(S2)CCCC3 1 1.749 2 3 0 -11.8772358020178 2108029 CCN(CC)C(=O)C1=C(C2=C(S1)N=C(NC2=O)CC3=CC=CC=C3)C 1 3.204 3 2 -17.0282666325272 2108022 COC1=CC(=C(C(=C1)OC)C(=O)COC2=NC=NC3=CC=CC=C32)OC 1 3.117 2 5 0 -1.34114359938097 2108008 C1=CC(=CC=C1NC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2)F 1 0.763 4 2 0 1.50278771297719 2108000 C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)F 1 4.394 1 2 -8.26709523711303 2107999 C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)N)C3=CC=CC=C3 1 1.164 3 3 0 -6.4275344319889 2107962 CN(CC(=O)NCC1=CC=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.46 2 3 -12.7493011425623 2107932 C/C=C/C1=CC(=C(C(=C1)OC)O)CN2CCN(CC2)C3=CC=C(C=C3)OC 1 4.212 2 3 4.99080842861747 2107925 CC1=CC(=NO1)NC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.946 3 5 0 -23.0417049656608 2107924 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3F 1 3.373 2 2 -12.1031983482113 2107916 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=CC=CC=C3 1 4.526 1 1 -1.25250473618419 2107906 CCCCOC1=CC=C(C=C1)C(=O)N(C)CC(=O)NC2=CC=C(C=C2)C 1 3.678 2 3 -10.0584337255907 2107873 C1=CC=C2C(=C1)N=C(S2)/C=C/C(=O)OCC(=O)NC3=C(C(=CC=C3)Cl)Cl 1 4.608 2 3 -1.23589918436631 2107871 CC1=NN(C(=C1C(=O)OCC(=O)N2CCCC2)Cl)CC3=CC=CC=C3 1 2.387 3 3 -13.4026137334936 2107807 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC(=CC=C3)Cl 1 3.832 2 2 -8.47245722522484 2107799 CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.73 4 4 0 -13.9910705319143 2107779 CC(=O)CC1=NSC(=N1)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.68 3 2 -2.4261559626408 2107762 CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C=CSC3=NC=N2 1 2.625 3 2 -4.64500049086018 2107751 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 0.599 3 6 0 -24.5681765508385 2107728 C1=CC(=CC(=C1)CNC(=O)NC2=CC(=CC=C2)O)CNC(=O)NC3=CC(=CC=C3)O 1 2.745 4 4 0 -3.47929192361163 2107726 CCC(CC)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3 1 3.75 3 2 -10.9208147536501 2107684 CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC(=O)NC5=CC=CC=C54 1 3.955 4 3 0 -23.0176703501384 2107670 CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC(=O)NC5=CC=CC=C54 1 4.434 4 3 0 -25.226485879201 2107666 CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)OC 1 3.208 3 4 0 -10.5353558565243 2107706 COC1=C(C=C2CN(CCC2=C1)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])OC 1 3.231 2 5 0 -12.7046755462901 2107696 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC3=C(C=C2)OCO3)C 1 2.373 2 5 0 -17.5479752582074 2107694 COC1=CC=CC=C1N2C=NN=C2SCC3=CSC(=N3)C4=CC=CC=C4 1 4.222 4 1 -4.98430933305665 2107692 CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.933 3 2 -12.1047180464484 2107643 C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3 1 2.192 3 4 0 -15.3676652817653 2107652 CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3 1 2.484 2 4 -20.5798978459805 2084568 CC1=CSC(=N1)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2 1 3.471 3 1 -9.10664873178724 2084566 C1=CC=C(C=C1)C2=NN=C(O2)CSC3=NN=C(O3)C4=CC=CS4 1 3.241 4 2 -11.1985906896545 2084553 CC1=CC(=CC=C1)N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4N=N3 1 3.919 7 1 0 -24.804545807329 2084549 CC1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.042 3 3 -15.8097654141213 2084536 CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C=CC=C3 1 3.276 3 2 -11.2857119155645 2084510 CCOC1=C(C=CC=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.368 3 4 0 -16.7668619846328 2084509 C1CCCC(CC1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3 1 3.043 2 3 -17.2260653946374 2084491 CC1=C(C=CC(=C1)Cl)OC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] 1 3.437 2 4 -1.06155159990603 2084431 CC1=CC(=C(C=C1C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C)C 1 3.516 3 3 -3.09557805418527 2084445 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NCC3=CC(=CC=C3)Cl 1 2.668 2 2 -11.4611787112964 2084479 CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=NN=C(S2)C3CC3 1 2.98 4 2 -19.5143743913415 2084474 CC1=CC(=NO1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C 1 1.267 3 3 0 -17.3528461102245 2084466 C1=CC(=NC=C1C(=O)NC2=NC=CS2)Cl 1 1.334 3 1 0 -8.27612001137204 2084461 CCC1=NN=C(S1)NC(=O)CC2=CC(=C(C(=C2)OC)OC)OC 1 2.001 3 4 0 -16.8758959537799 2084419 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 2.746 3 3 -18.2837465943303 2084409 C1=CC(=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])Br 1 2.235 4 4 0 -10.4373449017421 2084400 CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=NNC3=CC=CC=C32 1 2.604 3 3 -15.1196891937751 2084391 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-] 1 3.005 4 4 0 -6.43948543423249 2084381 C1=CC(=CC=C1CNC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])Cl 1 2.158 4 4 0 -13.4598680907475 2084378 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NC3=CC=CC=C3N4CCOCC4 1 2.181 4 3 0 -9.04906524317207 2084354 COC1=C(C=C(C=C1)COC(=O)C2=CC=C(C=C2)N3CCCC3=O)F 1 3.039 1 4 -13.8761361596496 2084350 CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=C(N(C(=C3)C)C)C)C4=CN=CC=C4 1 4.167 5 1 -9.72617110853687 2084349 CCC1=NN=C(S1)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 2.018 3 3 -17.171636052723 2084345 CC1=CC(=C(N1C)C)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3 1 3.254 4 1 -7.97245895342873 2084340 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=CC=CC=C4N3)Cl 1 2.914 4 3 0 -15.02099931103 2084335 C1=CC=C(C(=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)F)Cl)Br 1 4.507 2 2 -4.61979811051826 2084331 CC1=CSC(=N1)NC(=O)CC2=CC(=C(C(=C2)OC)OC)OC 1 1.88 2 4 0 -9.95067167695617 2084325 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3=CC=CC=C3N4CCOCC4)C 1 2.94 2 4 -11.2526142549205 2084309 CC1=CC(=C(C(=C1C)S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N)C)C 1 1.731 2 5 0 -13.5753537168873 2084294 C1=CC2=NN=C(N2C=C1)SCC3=C(C=C(C=C3)F)Cl 1 4.141 3 0 -9.9786067363211 2084275 C1CCC(CC1)C(=O)NCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl 1 1.896 3 4 0 -10.0385528907914 2084273 C1CCC(CC1)CNC(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)O 1 4.503 1 2 0.574440873643651 2084268 CC1=CC2=C(C=C1)N=C(N2)SCC3=NN=C(O3)C4=CC=CC=C4 1 3.991 4 1 -1.88995971200184 2084247 CCCCNC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)N 1 0.504 3 3 0 -16.2934291155428 2084230 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3CCCC3 1 3.135 2 4 -3.96678044023471 2084229 CC1=CC=C(C=C1)C2=C(SC(=N2)N)CC(=O)OCC(=O)NCCC(C)C 1 3.335 3 3 -8.2260416153475 2084205 C1COCCN1C2=CC=CC=C2NC(=O)CC3=CC=C(S3)S(=O)(=O)N4CCOCC4 1 1.382 3 5 0 -17.1660161259249 2084200 CC1=CC=CC=C1NC(=O)CCCSC2=NC3=CC=CC=C3S2 1 4.689 2 1 -11.3762162516898 2084198 CC1=C(SC=C1)C(=O)NC2=NC3=CC=CC=C3N2 1 3.111 3 1 -3.85939097139853 2084195 CCSC1=NN=C(S1)NC(=O)CC2=CC(=C(C(=C2)OC)OC)OC 1 2.506 3 4 0 -19.2401586125695 2084184 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C#N 1 3.04 3 2 -10.2550437779365 2084179 CC(C)(C)C(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3Cl)F)F 1 5.022 2 2 -3.96849579666127e-002 2084159 CC(C)(C1=CC=CC=C1)C(=O)NC2=NC=CS2 1 2.526 2 1 -3.23385237657575 2084150 CCCN1N=C(N=N1)NCC2=CC(=C(C=C2)OCC3=CC=CS3)OC 1 3.489 5 2 0 -10.7546385567224 2084142 CS(=O)(=O)N(CCC#N)CC1=CC=C(O1)/C=C\2/C3=CC=CC=C3NC2=O 1 1.306 3 4 0 -11.3050216118873 2084132 C1=CC=C(C=C1)CSCC(=O)NC2=NC=C(C=C2)Cl 1 3.068 2 1 -8.13786448125283 2084104 CC(C)(C)CC(C)(C)NC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 1 4.871 3 2 -11.7941031994612 2084095 CCN1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=CS2 1 3.174 3 1 -10.5112078075903 2084090 CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=S)NC(=O)C3CC3 1 1.373 4 3 0 -10.8341477037347 2084089 CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N 1 1.421 7 1 0 -19.2205405999932 2084086 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=S)NC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5 1 4.503 6 3 0 -7.0486251750792 2084085 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N)C 1 2.645 5 3 0 -10.3653098807039 2084071 CCOC(=O)C1=CC(=NN1C2=CC=C(C=C2)C(=O)O)C3=C(C=C(C=C3)OC)OC 1 4.096 2 6 0 -2.40724128889443 2084051 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NS(=O)(=O)C4=CC=C(S4)Cl 1 3.255 3 3 7.09947982631044 2084048 CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 3.115 4 2 -17.3218803920226 2084043 CCN1CCC2=C(C1)SC(=N2)N 1 0.797 3 0 0 1.04009015958549 2084036 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)N3CC(=O)NC4=CC=CC=C43 1 0.606 3 7 0 -28.7386075248909 2084025 COC1=CC=CC=C1/C=C(\C2=CC=CC=C2)/C(=O)OCC(=O)N 1 2.469 1 4 -6.33839838226952 2084008 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])N 1 0.848 4 8 0 -15.7683375329651 2084006 CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=C(C=C2)F)N 1 1.639 3 5 0 -16.3180769326883 2084002 COC1=CC=C(C=C1)CCNC(=O)COC2=NC=NC3=C2C=CC(=C3)[N+](=O)[O-] 1 2.753 4 5 0 -7.20236393919086 2083990 C1CC(=O)N(C1=O)CC(=O)NC2=CC=C(C=C2)Br 1 0.798 2 3 0 -10.3938613712876 2083989 COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CCC2=O 1 -9.5e-002 2 5 0 -13.8443770821451 2083985 C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC(=CC=C3)Br 1 3.42 3 1 -1.74709864445283 2083980 CN(C)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC=C)C2=CC=C(C=C2)Cl 1 2.925 2 5 0 -21.504500517266 2083976 CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)CC(C)C)N 1 2.515 3 6 0 -10.5202505461578 2083967 CC1=C(SC=C1)/C=C/C2=CC3=C(C(C2)(C)C)SC(=C3C#N)NC(=O)CSC4=NNC(=N4)N 1 4.953 6 1 0 -14.6563479823047 2083963 CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=CC=C3Cl 1 3.969 4 3 0 -13.9090971816642 2083961 CC(C)(C)C1=CC=CC=C1NC(=O)CN2C(=O)C3(CCCC3)NC2=O 1 2.554 3 3 -8.14307792073248 2083948 CCCC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NN=C(S3)N)C4=CC=CC=C4 1 4.973 6 1 0 -8.98277039768159 2083940 CCCC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NNC(=N3)N)C4=CC=CC=C4 1 4.78 7 1 0 -3.76147959970106 2083905 CCOC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3(CCC(CC3)C)NC2=O)OCC 1 2.854 3 5 0 -17.7760613893487 2083893 C1CCC(CC1)NC(=O)CCCSC2=NC3=CC=CC=C3N2 1 3.916 3 1 -12.7290169863036 2083878 CC1=CC(=CC(=C1OCC(=O)NC(=O)NCC2=CC=CC=C2)Cl)Br 1 4.135 2 3 -4.40894544006524 2083851 CCOC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)SC2=NC=NN2)[N+](=O)[O-] 1 1.835 5 7 0 -17.4555993550569 2083849 CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32 1 3.216 2 3 -11.4446551278668 2083826 COC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC3=C(CC4=CC=CC=C43)C=C2)OC 1 3.631 1 6 0 -16.5717049102848 2083815 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)COC(=O)C3=NC=C(C(=C3Cl)Cl)Cl 1 4.51 2 5 0 -18.965789752057 2083812 CCOC(=O)C1=C(NC(=C1C)C(=O)CN2N=C(N=N2)C3=CC=CC=C3)C 1 2.982 5 3 0 -5.35906755231765 2083783 CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)C=C(C)C 1 3.203 2 3 -3.0650385784977 2083760 COC1=CC=C(C=C1)/C=C/C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-] 1 3.614 1 5 -5.18141052838788 2083748 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC(=O)N3CCCC4=CC=CC=C43 1 4.269 2 4 -14.5811426033616 2083731 CN(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=CO2 1 1.13 2 5 0 -14.3890134461268 2083729 CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC3=C(CC4=CC=CC=C43)C=C2 1 3.996 1 5 -14.6457050945422 2083728 CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 4.096 3 5 0 -21.174837711372 2083716 COC1=CC=CC(=C1)CSC2=NC3=CC=CC=C3N2 1 3.996 2 1 -3.30751403333587 2083712 CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CC2=CC(=C(C(=C2)OC)OC)OC 1 2.978 0 7 0 -12.4074283983977 2083691 CC(C)(C)NC(=O)CN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 2.302 3 3 -12.9916012048849 2083684 CCOC1=CC=CC=C1NC(=O)COC2=CC=CC(=C2)NC(=O)OCC 1 2.894 2 5 0 -10.7986310653242 2083679 C1CC1NC(=O)/C=C/C2=CC=CS2 1 1.948 1 1 0 -9.82241420172329 2083675 CC1=CN=C(S1)NC(=O)CCC2=CC=CC=C2 1 2.248 2 1 -7.76372818270497 2083663 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5 1 2.708 4 5 0 -15.5744862765487 2083658 CCOC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC)OC 1 1.887 2 5 0 -9.28238939602714 2083654 CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC3=C(ON=C3C)C)C4=CC=NC=C4 1 4.45 5 1 -11.1440918943277 2083641 C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl 1 2.051 3 6 0 -12.7385609104579 2083638 CC1=CC(=C(C=C1)NC2=NN=C(S2)SCC3=CC(=O)N4C=CSC4=N3)C 1 3.137 5 1 -18.9744375816371 2083628 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCC2=CC=C(C=C2)Cl 1 3.105 1 5 -18.9468053084249 2083626 CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)Cl 1 4.085 3 3 -6.31780400175039 2083618 CC(=O)C1=CC=C(C=C1)N2C(=CC=C2C3=CC=CC=C3)CCC(=O)O 1 4.246 1 3 -7.06000276708546 2083616 COC(=O)C1=CC=C(C=C1)N2C(=CC=C2C3=CC=CC=C3)CCC(=O)O 1 4.362 1 4 -6.43049700166085 2083613 CC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)C(=O)OC)CCC(=O)O 1 4.848 1 4 -5.95598058534565 2083609 C1=CC(=CC=C1C2=CC=C(N2NC(=O)N)CCC(=O)O)F 1 2.094 3 3 -5.73475237936348 2083600 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)N)S(=O)(=O)C 1 2.018 2 3 -11.8797821444161 2083573 C1CN(CCN1C2=CC=CC=C2NC(=O)C3=CC=CC=C3Cl)C(=O)C4=CC=CC=C4 1 4.322 3 2 -7.75462979906062 2083571 C1CN(CCN1C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)Cl)C(=O)C4=CC=CC=C4 1 4.322 3 2 -4.25405140941906 2083559 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CN=C(C=C3)Cl 1 2.187 3 2 -7.36132599874334 2083556 CCC1=CC=CC(=C1NC(=O)CCCSC2=NC3=CC=CC=C3S2)C 1 5.631 2 1 -11.4890211554392 2083544 CCCN1C(=O)NN=C1SCC(=O)C2=CC(=C(C=C2C)C)C 1 4.204 3 2 -9.59445671454705 2083535 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=CC=C(C=C3)NC(=O)C 1 3.898 2 3 -6.51862558001233 2083534 C1CSC(=N1)NC(=O)CCCSC2=NC3=CC=CC=C3S2 1 3.691 3 1 -15.5929193028286 2083532 C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)NC(=O)NCC3=CC=CO3 1 2.306 3 5 0 -14.0026729196733 2083531 CCOC(=O)NC(=O)COC(=O)CCCC1=NC2=CC=CC=C2S1 1 2.537 2 5 0 -10.9212228058527 2083525 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CN3)C4=CC=CC=C4 1 4.609 4 2 -4.91765677680536 2083514 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC=CC(=C2)C#N 1 2.25 3 2 -8.18375883875316 2083510 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=O)NC4=CC=CC=C43 1 2.256 3 2 -7.29052650087937 2083509 CCSC1=NN=C(S1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 4.308 4 2 -23.1236164255869 2083491 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.933 3 2 -5.51543907587826 2083477 CCC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C 1 2.485 4 1 -12.7167426874896 2083475 COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=NC=CS2 1 1.597 2 4 0 -10.5893863547974 2083468 C1=CC(=CC=C1NC(=O)C2=CC(=C(N=C2)Cl)Cl)S(=O)(=O)NC3=NC=CS3 1 2.487 4 3 0 -9.34086735532462 2083459 CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=CC=C2)N(C)C 1 3.468 2 1 -8.73672452700098 2083458 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.8 3 6 0 -18.4002172510933 2083452 COC1=C(C=C(C=C1)NC(=O)C2CC2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.384 2 4 -6.72871550852454 2083450 C1=CC(=CN=C1)CNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.4 3 3 0 -13.3723476421226 2083396 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=CC=N2 1 1.717 3 3 0 -11.2527716475137 2083384 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 2.004 4 4 0 -20.7386357936982 2083367 CCOC1=CC=CC=C1OCCC(=O)NC2=CC(=C(C=C2)F)Cl 1 3.9 1 3 -6.97787537123611 2083361 C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCC(=O)NC3=CC=CC(=C3)C#N 1 1.415 4 4 0 -15.6227411811697 2083345 C1COCCN1C2=CC=C(C=C2)NC(=O)CC3=CNC4=CC=CC=C43 1 2.792 3 2 -7.44517522577426 2083334 CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=CC=CC=C4N3 1 2.376 5 2 0 -5.62027312472382 2083314 C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC=CO4 1 2.903 4 2 -18.9162102355848 2083287 COC1=CC=C(C=C1)CCC(=O)NC2=NC3=CC=CC=C3N2 1 3.146 3 2 -4.75453159929021 2083282 CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F 1 3.304 3 3 -9.77581816151906 2083279 C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F 1 4.051 2 3 -5.53599345000656 2083276 CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.265 3 7 0 -35.032153145093 2083275 CC(C)NC(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=O)N1 1 -0.26 3 5 0 -13.0727453466355 2083257 COC1=CC=CC=C1OCC(=O)NCC2CCCCC2 1 3.045 1 3 -12.4253499612113 2083234 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 3.882 2 3 -6.43313089811456 2083202 CC1=C(N=C(N=C1C)SCC(=O)NC(=O)NCC2=CC=CC=C2)C 1 2.588 4 2 -10.4826698886842 2083187 C=CCN(CC=C)C(=O)CN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 2.81 3 3 -16.7305618726978 2083186 C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)N5CCOCC5 1 3.564 5 2 0 -13.8786428604829 2083153 CC1=CC(=C(N1C)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4 1 3.68 5 1 -7.07571386743774 2083120 CC1=C(N=C(N=C1C)SCC(=O)NC(=O)NC(C)(C)C)C 1 1.936 4 2 0 -13.527963432222 2083109 CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C3N2C=C(C=C3Cl)Cl 1 4.48 4 1 -14.0616937996502 2083100 COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N)C3=CC=CC=C3 1 3.453 2 2 -1.2752361861544 2083085 C1=CC(=CC=C1CCNC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])Cl 1 2.479 4 4 0 -12.8683145788817 2083082 CC1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-] 1 1.98 4 4 0 -15.2818667813343 2083081 C1=CC=C(C=C1)OCCN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-] 1 2.482 3 4 0 -3.06520753643987 2083080 CC1=CC=CC=C1OCCN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-] 1 2.969 3 4 0 -2.23855524104515 2083077 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NN=C(O3)C4=CC=CS4 1 4.572 3 3 -13.8219254380187 2083071 CC1=C(N=C(N=C1C)SCC(=O)NC2=C(N=CC=C2)Cl)C 1 2.524 4 1 -8.7762457453983 2083068 CN1C=CSC1=NC(=O)C2=CC=C(C=C2)Cl 1 2.375 2 1 -8.59402506063588 2083057 CSC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 4.664 2 2 -6.94723887774761 2083055 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3N4CCOCC4 1 3.011 3 3 -10.8700052414245 2083052 C1CCCC(CC1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 1.621 3 3 0 -5.73200199764827 2083046 C1=CC=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)F 1 1.853 2 3 0 -13.837819351196 2083041 COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 4.207 1 4 -8.8766796187217 2083034 CC1=CC(=C(C=C1C(=O)COC(=O)CN2C=NN=N2)C)C 1 1.561 4 3 0 -17.6131836179524 2083029 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NC=CC=N3 1 2.725 3 2 -8.40160176391749 2083010 COC1=CC=CC=C1NC(=O)CC2=C(C=CC=C2Cl)F 1 3.503 1 2 -10.4927130676241 2083003 CC1=CC=C(C=C1)COC2=CC3=C(C=C2)OCO3 1 3.651 0 3 -0.825718102012689 2082985 CC1=CC(=NC2=NN=C(N12)SCC3=NN=C(O3)C4=CC(=C(C(=C4)OC)OC)OC)C 1 2.895 6 4 0 -16.0098682978453 2082968 CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)C3=C(N(C(=C3)C)C)C)C 1 1.609 5 3 0 -15.1169394408555 2082921 C1COCCN1CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 1.203 3 4 0 -8.41847074506526 2082919 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NNC3=C(C(=CC(=C3F)F)F)F 1 3.489 2 3 -7.47629696515556 2082918 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NCCS3)Cl 1 2.345 3 3 -24.2819631436851 2082902 CC1=CC(=C(C=C1)C)C(=O)NC2=NC3=CC=CC=C3N2 1 3.644 3 1 -1.66371836449817 2082890 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC3=CC4=C(C=C3)OCCO4 1 4.23 1 4 3.50828901228721 2082865 CC1=CC=C(C=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 4.152 4 1 -7.37355335714539 2082858 COC1=CC=CC=C1C(=O)COC(=O)C2=CC=CC=C2O 1 2.682 0 5 -6.55798191919817 2082857 C1=CC=C2C(=C1)C(=O)N(N=N2)COC3=C(C=C(C=C3)F)Cl 1 4.316 3 2 -14.9023091057867 2082853 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.199 4 1 -5.65795719028769 2082848 CC(=O)C1=CC=C(C=C1)OCCCC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 3.57 2 5 0 -11.7973300665747 2082828 CC1=CC(=NC2=NN=C(N12)SCC(=O)NC3=CC=CC=C3)C 1 2.505 5 1 -16.92714063747 2082827 C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=CC4=C(C=C3)NC(=O)N4)C5=CC=CC=C5 1 1.81 5 4 0 -14.7354122777562 2082796 C1=CC(=CC(=C1)F)NC(=O)COC(=O)CC2=CSC=C2 1 2.224 1 3 -8.84742982076607 2082789 C1=CC=C(C=C1)CCNC(=O)C2=CC(=C(N=C2)Cl)Cl 1 3.33 2 1 -6.25871451775072 2082785 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)NC4=NC=CS4 1 3.14 3 2 -5.62810600819075 2082778 COC1=CC(=C(C=C1)Br)C(=O)NC2=NC3=CC=CC=C3N2 1 3.403 3 2 -1.39110430531861 2082775 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)Cl 1 3.236 2 4 -23.4909352948382 2082760 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)N 1 1.076 5 3 0 -20.80410980291 2082741 C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C#N 1 4.062 5 1 -1.82035423771249 2082730 C1CN(CCN1C(=O)C2=CC=CC=N2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.014 3 3 -18.1575163569777 2082729 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=NCCS2 1 1.884 3 3 0 -18.3650721439102 2082722 CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CCN(CC2)C 1 2.756 2 2 -0.955634791725047 2082654 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=NC3=CC=CC=C3C=C2 1 2.894 3 3 -13.0031933746163 2082651 CC1=C(C(=NO1)C)CSC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC=C 1 2.948 3 4 0 -27.5185718602857 2082614 COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)CCO 1 2.733 4 2 5.4204039736491 2082602 C1=CC=C(C(=C1)C2=NN=C(O2)COC3=NC=NC4=C3C=CC(=C4)[N+](=O)[O-])Br 1 3.629 5 4 0 -4.29550135516991 2082583 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC 1 2.247 1 7 0 -10.4713507357366 2082564 CC1=CSC(=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.063 2 3 -19.5970742479002 2082525 COC1=CC=C(C=C1)N2C=NN=C2SCC3=CSC(=N3)C4=CC=CC=C4 1 4.222 4 1 -0.968226375208165 2082496 C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)O 1 2.902 4 4 0 -0.632674179098371 2082494 C1=CC(=CC(=C1)NC(=O)C2=CNC(=O)C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.148 3 3 -6.95344740424977 2082468 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-] 1 2.553 6 5 0 -25.7117597002222 2082452 CC1=CSC(=N1)NC(=O)C2=CN=C(C=C2)Cl 1 1.617 3 1 0 -7.63740533353084 2082451 CC1=CSC(=N1)NC(=O)C2=CC3=C(S2)N(N=C3C)CC4=CC=CC=C4Cl 1 4.106 4 1 -10.7830701797782 2082449 CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=NC=CS2 1 2.485 3 2 -16.873127442668 2082448 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC(=CC=C2)SC 1 2.913 2 2 -4.18081575906219 2082437 CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)OC 1 3.073 2 6 0 -16.3199724867442 2082426 CC1=CSC(=N1)NC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.463 5 1 -0.872008136753944 2082421 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)Cl 1 3.099 2 5 0 -21.8702411062083 2082420 C1=CC=C(C=C1)C(=O)NNC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2 1 0.14 4 4 0 -7.35332485891471 2082412 CN1C=CSC1=NC(=O)C2=CC=C(C=C2)OC 1 1.694 2 2 0 -10.8289899603668 2082407 COC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=CC=CS3 1 3.212 2 2 -6.8936431321991 2082406 COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)OCC#N 1 1.813 3 5 0 -20.4488027748732 2082393 C1=CC=C(C(=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)F 1 2.085 4 3 0 -14.5747794685883 2082391 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(N=C3)Cl)Cl 1 2.232 5 3 0 -10.2697432759881 2082380 CN1C(=NN=C1SCC(=O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)F 1 3.016 5 4 0 -14.1850182259222 2082353 CC1=CC(=C(N1C)C)C(=O)CSC2=CC=C(C=C2)NC(=O)C 1 2.338 2 2 -5.77137684972253 2082334 C1=CC=C(C=C1)CNC(=O)NC(=O)CSC2=CC=C(C=C2)F 1 3 2 2 -6.41998586883356 2082329 C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4 1 3.805 5 1 -18.305669754061 2082298 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.824 3 4 0 -11.5019596868495 2082296 CC1=CC(=C(N1CCC2=CC=C(C=C2)Cl)C)C(=O)CSC3=NN=C(S3)N 1 4.056 4 1 -12.3157717578499 2082292 CC(=O)OC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.504 2 5 0 -18.147307080348 2082289 CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=NC(=CS2)C 1 2.767 3 2 -16.4227093591606 2082287 C1=CC=C(C=C1)C(=O)NNC(=O)CC2=CNC3=CC=CC=C32 1 2.199 3 2 -10.3639811967483 2082284 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC=CC3=CC=CC=C32 1 3.279 2 2 -7.16933356862577 2082282 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC=CS3 1 2.654 3 3 -14.4250783796168 2082265 C1CN(CCC1C(=O)NC2=NC=C(C=C2)Cl)S(=O)(=O)C3=CC=CS3 1 2.043 3 3 -8.08898191990042 2082259 COCCN1C(=O)C2=CC=CC=C2N=C1SCCOC3=CC=CC=C3 1 3.737 2 3 -14.3580989132434 2082247 CC1=C(C=CC(=C1)NC(=O)[C@H](C)NC(=O)C2=CC=CO2)Br 1 2.788 2 3 -10.6720950424655 2082240 C1CN(CCN1C(=O)COC2=C3C=CSC3=NC=N2)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.149 4 4 0 -20.2620248366085 2082239 CC(=O)CN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 1.893 2 3 0 -6.24803714183185 2082222 C1=CC2=NN=C(N2C=C1)SCC(=O)NNC(=O)C3=CC=C(C=C3)F 1 1.787 5 2 0 -17.4897029637647 2082221 C1=CC2=NN=C(N2C=C1)SCC(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 2.246 5 2 0 -16.3795812986432 2082206 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 1.075 4 5 0 -24.2561305196307 2082190 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4=CC=CO4 1 2.571 2 4 -24.7153318694163 2082185 CCOC1=CC=C(C=C1)OCCCC(=O)NC2=NC3=CC=CC=C3N2 1 3.409 3 3 -5.69951125590013 2082180 COC1=CC(=CC(=C1OC)OC)CCC(=O)NCC2=CC=C(C=C2)Cl 1 3.727 1 4 -14.4738796094424 2082178 CC(C)(C)NC(=O)CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2 1 0.792 2 5 0 -25.308754678015 2082176 CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)C 1 3.349 2 3 -6.60782468190699 2082174 CN1C(=O)C=CC(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 0.488 4 4 0 -19.9880362353007 2082122 CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(CC)CC3=NC(=O)C4=CC=CC=C4N3 1 3.74 3 3 -6.01167172824697 2082104 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NCC3=CC=CO3 1 3.129 3 2 -12.9146616708335 2082101 CC1=NC2=CC=CC=C2C=C1C(=O)N(C)CC3=CC=CC=C3 1 3.296 2 1 -2.70659331276269 2082098 CC1=CC=C(S1)S(=O)(=O)NC2=CC=CC3=C2C=CC=N3 1 2.436 2 2 -7.51773982656218e-002 2082094 C1=CC2=C(C=CC=N2)C(=C1)NS(=O)(=O)C3=CC=CS3 1 2.29 2 2 -2.8717853843382 2082057 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CNC2=O)C(F)(F)F 1 0.534 3 5 0 -9.12157256449352 2081953 CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=CC=C(C=C2)NC(=O)C)C 1 3.285 3 2 -13.8642568702757 2081945 C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(=O)NCC3=CC=C(C=C3)Cl 1 3.338 3 2 -15.7016922199471 2081940 COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=CN3C4=CC=CC=C4 1 1.203 7 4 0 -16.2122583715286 2081893 CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(S2)N 1 2.296 3 2 -13.4903647986086 2081892 CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NOC(=C4)C 1 4.081 4 3 0 -26.5260313168853 2081889 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3=CC=CO3)CC4=CC=CC=C4)C 1 4.063 3 3 -27.8540157963728 2081888 C1=CC=C(C=C1)CC(=O)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.15 3 4 0 -11.8794145624285 2081879 CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)Cl 1 4.236 4 4 0 -31.2347813873819 2081875 CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N)CC 1 1.241 4 4 0 -14.8806214174568 2081872 C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl 1 4.057 3 1 -8.2986464707 2081845 CC1=CC=C(C=C1)CNC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 1.914 2 2 0 -11.2866286069384 2081844 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CNC(=O)C=C3 1 0.572 3 4 0 -12.3090347438348 2081748 CN1C(=O)C=CC(=N1)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 1.852 3 2 0 -1.63777584096573 2081745 COC1=C(C=C(C=C1)Cl)NC(=O)CC2=C(C=CC=C2Cl)F 1 4.167 1 2 -8.0609224830132 2081734 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC=C(C=C3)F 1 3.261 3 2 -8.95499081993752 2081728 C1CC2=C(C1)C=C(C=C2)OCC(=O)NCC3=CC=CC=C3 1 3.513 1 2 -11.3505475186688 2081723 CC1=CC(=C(N1C)C)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4 1 4.791 4 1 -13.5740038905948 2081703 CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCCC3=CC=C(C=C3)F 1 2.395 3 3 -11.3917940948989 2081697 COC1=C(C=C(C=C1)CN2C(=O)C3(CCCC3)NC2=O)F 1 2.289 2 3 -1.65631431529435 2081692 COC1=CC=CC(=C1)CC(=O)NC2=NC3=CC=CC=C3N2 1 2.69 3 2 -2.70063257841468 2081690 CN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=CC=CC=C4N3)Cl 1 4.029 4 3 0 -9.01903976092415 2081688 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3 1 2.565 3 4 0 -11.467410420831 2081684 CC(C)CCNC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3 1 4.78 1 3 -4.31916595793932 2081676 CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC(=C(C=C3OC)OC)Cl 1 3.219 3 5 0 -17.5573241760681 2081675 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CN=C(C=C3)Cl 1 2.105 2 3 -9.22951841269019 2081673 COC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCC4 1 1.951 2 6 0 -23.293635013314 2081657 CC1=CC(=C(N1C)C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3 1 2.721 5 1 -11.3357935008754 2081648 CCCN1C(=O)NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.773 4 3 0 -16.7611923658321 2081638 C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC(=O)NC(=O)N 1 3.456 5 2 0 -5.88842592189934 2081636 C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl 1 4.642 3 1 2.23417119875216 2081628 CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)CSC3=NC(=CC(=N3)N)N 1 3.655 5 1 -10.6722757852766 2081601 CC1=CC(=C(N1C)C)C(=O)COC2=C(C=C(C=C2)Cl)Br 1 4.072 1 2 0.415549012119857 2081588 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCCC3=CC=C(C=C3)F 1 2.599 3 3 -10.4745636853056 2081579 CCCN1C(=O)NN=C1SCC(=O)NCC2=CC=CC=C2Cl 1 2.797 4 2 -21.6187060337144 2081561 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NN=C(O3)C4=CC=CO4 1 3.219 3 4 0 -11.7486839011525 2081549 CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3 1 2.517 3 4 0 -10.9184349933833 2081542 CC1=CC(=C(N1C)C)C(=O)COC2=C3C=CSC3=NC=N2 1 2.481 3 2 -5.61394996861063 2081530 C1=CC=C(C=C1)CNC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl 1 3.634 1 3 -11.2183361116583 2081497 CN(C)C(=O)CSC1=NC2=C(C=CC(=C2)OC)C(=C1)C3=CC=CC=C3 1 3.864 2 2 -2.6049940256399 2081487 C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)C(F)(F)F 1 2.745 1 2 -5.48801722284013 2081485 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.532 3 3 -15.0562291041184 2081480 CCOC1=CC=CC=C1OCCCC(=O)NC2=NCCS2 1 2.839 2 3 -16.8254424335717 2081465 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 2.669 4 4 0 -10.5607674314902 2081463 CC1=CC2=C(C=C1)C(=CO2)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.214 1 4 -9.42837547755347 2081462 CC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)NC3=CC=C(C=C3)NC(=O)C 1 3.21 3 2 -5.35343954547571 2081460 COC1=CC=CC=C1OCCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.456 1 5 -16.1133277403384 2081459 COC1=CC(=CC(=C1OC)OC)CC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.375 1 6 0 -14.608781208479 2081457 C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC(=CC=C3)F 1 2.877 3 1 -1.36443584568624 2081443 CC1=NN(C2=C1C=C(S2)C(=O)NC(C)(C)C)CC3=CC=CC=C3Cl 1 4.181 3 1 -15.5655563891759 2081442 CC1=CC(=C(N1C)C)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 2.877 3 2 -10.5392116278936 2081425 CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC)C4=CC=CC=C4 1 4.922 5 3 0 -22.4123824953162 2081424 CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC 1 2.952 3 3 -17.1175747839236 2081393 COC1=CC=C(C=C1)CC(=O)OCC2=NN=C(O2)C3=CC=CC=C3 1 2.779 2 4 -7.91731678348082 2081369 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)/C=C/C2=C(C=CC(=C2)OC)OC 1 2.801 2 4 -6.82847859589766 2081336 CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(N(C(=C3)C)C)C 1 4.429 2 1 -1.41031355775304 2081326 COC1=CC(=CC(=C1OC)OC)CC(=O)NCC2=CC=CO2 1 1.789 1 5 0 -14.7920034880783 2081325 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=CC=CC=C4N3)F 1 1.682 4 4 0 -17.3430616287046 2081318 CC(=O)NC1=CC=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2 1 3.323 3 2 -11.8330282154383 2081314 C1CC(C1)C(=O)NC2=NC3=CC=CC=C3N2 1 2.221 3 1 1.9808221289656 2081312 C1CCC(C1)C(=O)NC2=NC3=CC=CC=C3N2 1 2.677 3 1 2.04627135586352 2081294 COC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2 1 2.655 3 2 -2.50454094159495 2081288 C1=COC(=C1)C(=O)NC2=NC(=CS2)C3=CC=NC=C3 1 1.803 3 2 0 0.524490170045302 2081281 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(C)C 1 4.097 4 2 -21.6568723943146 2081265 COC1=CC=C(C=C1)C2=NN=C(O2)SCC3=NC(=O)C4=CC=CC=C4N3 1 2.711 4 3 0 -9.09055304278582 2081257 CC1=CC(=C(C=C1)C(=O)CSC2=NN=C3N2C=CC=C3)C 1 3.916 3 1 -8.11918322599925 2081246 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)CC 1 2.244 5 2 0 -16.3918198238819 2081224 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC(=O)C3=C(N(C(=C3)C)C)C 1 2.873 4 4 0 -19.1264500668954 2081219 C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=NN=C(S3)N 1 2.185 4 1 -13.8827557866316 2081213 CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=CC=C(C=C3)Cl 1 4.704 5 1 -3.09159270902377 2081201 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CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN2CCCC3=CC=CC=C32 1 3.667 2 4 -22.7995794745994 2080456 CC(=O)N1CCN(CC1)C(=S)NCCC2=CC=CC=C2 1 2.315 3 1 -13.5538458070829 2080453 CC1=C(SC2=NC=NC(=C12)OCC(=O)NC3=CC4=C(C=C3)OCCO4)C 1 2.688 3 4 0 -10.176113446733 2080448 C1CN(CCN1C(=O)CSC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 2.427 2 3 -19.209405947563 2080445 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC(F)(F)F 1 2.479 3 2 -11.792670488906 2080443 CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C 1 4.308 4 2 -10.186309972647 2080434 C1COC2=C(O1)C=CC(=C2)SCC(=O)NC3=NC=C(C=C3)Cl 1 2.846 2 3 -6.68384265700065 2080432 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=CC=C(C=C2)NC(=O)C 1 2.207 2 3 -13.5159118161593 2080422 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC=CC=C3NC(=O)C4=CC=CO4 1 2.941 3 5 0 -12.940194651462 2080400 C1=CC(=CC=C1CC(=O)OCC(=O)NCC2=CC=C(C=C2)F)Cl 1 3.233 1 3 -10.2171237838974 2080384 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)COC3=CC=C(C=C3)Br 1 3.344 2 4 -8.24466599001552 2080382 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)CSC3=CC=C(C=C3)Cl 1 3.819 2 3 -6.07007494940833 2080380 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)CCC(=O)C3=CC=CS3 1 2.67 2 4 -14.4477203935515 2080379 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N 1 4.758 3 3 -9.74719726224225 2080370 C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.943 4 3 0 -18.854444416537 2080357 CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=CN2C3=CC=CC=C3 1 2.886 4 3 0 -16.8134138567582 2080354 C1=CC=C2C(=C1)NC(=N2)SCC(=O)NCC3=CC=C(C=C3)F 1 3.277 3 1 -9.52318538745144 2080340 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N)C 1 4.047 3 5 0 -28.0819313443966 2080330 CC1=C(SC2=C1C(=NC=N2)SCC3=NN=C(O3)C4=CC=CC=C4)C 1 3.9 4 1 -6.9729402697218 2080328 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCCOC3=CC=CC=C3 1 3.659 3 4 0 -15.9433196591778 2080327 C1CN(CCC1C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4 1 2.136 3 5 0 -16.6995737375276 2080314 C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC(=C(C=C3Cl)F)F 1 3.836 2 3 -4.44367963771981 2080306 CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NOC(=C4)C 1 4.058 4 4 0 -30.9611170083822 2080258 CC1=CC(=C(C=C1)C)SCC(=O)NC2=NN=C(O2)C3=CC=CC=C3 1 3.821 3 2 -4.71787320134409 2080232 C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4 1 2.529 2 5 0 -9.16191995845679 2080205 CC(C)(C)NC(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2 1 0.832 3 6 0 -23.2204663616121 2080199 COCCNC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)/C#N 1 1.223 3 6 0 -30.5999195325179 2080193 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 1.823 3 5 0 -18.4428100307452 2080184 CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)[N+](=O)[O-] 1 2.181 3 7 0 -14.7706061507219 2080169 CC1=CC(=C(N1C)C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O 1 1.662 3 4 0 -9.90446806640047 2080148 C1CC1C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 0.278 3 4 0 -19.4669336083769 2080127 COC1=CC=CC=C1NC(=O)CSC2=NN=C3N2C=CC=C3 1 2.308 4 2 -19.081069214597 2080123 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=NC(=O)C4=CC=CC=C4N3 1 3.301 5 1 -11.091616480463 2080119 CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C 1 5.412 1 3 -9.85507119074414 2080110 CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)COC(=O)C2=CC=CC=C2)N 1 2.285 4 5 0 -15.8475659978397 2080105 CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC(=O)NCC3=CC=CO3 1 2.171 3 4 0 -19.3649775672388 2080086 CC1=CSC(=N1)NC(=O)CC2=COC3=C2C=CC(=C3)OC 1 2.216 2 3 -6.35014837807665 2080084 CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=CC=N4 1 3.064 5 2 0 -3.4671807678434 2080062 COC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F 1 1.465 3 7 0 -15.8173678802608 2080061 CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=CC=CC=[N+]2[O-] 1 1.616 2 3 0 -11.8027108213977 2080055 CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4 1 4.044 5 1 -14.5046388576221 2080042 C=CCNC(=O)NC(=O)COC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-] 1 1.504 3 6 0 -14.0493156225707 2080025 C1=CC=C(C(=C1)C(=O)OCC(=O)NC(=O)C2=CC=C(C=C2)OC(F)F)O 1 2.757 1 6 0 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CCN(CC)C1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3S2 1 4.139 3 3 -6.00614221945842 2078942 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 3.057 2 7 0 -18.7412958130495 2078937 CCCCC(=O)OCC(=O)C1=C(N(C(=C1)C)C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C 1 3.116 3 4 0 -21.9511754193853 2078934 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)/C=C/C3=CC=CO3 1 2.83 5 3 0 -4.7040708356174 2078922 C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=C(C=CC=C3F)F)C4=CC=C(C=C4)F 1 5.401 3 1 -9.19627881189006 2078915 C1=CC(=NC=C1Cl)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-] 1 2.347 3 5 0 -4.26438661341992 2078883 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=C(C=C3)C#N 1 1.789 3 4 0 -25.358602415935 2078838 CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC 1 4.668 2 5 0 -19.606881875266 2078831 CC(C)C1=CC=C(C=C1)C(=S)N 1 2.894 1 0 -0.981746879610087 2078782 CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)NC2=CC=CC=C2OC 1 2.538 3 3 -14.9908372855902 2078777 CC1=CC=C(C=C1)NC(=O)OCCNC(=O)C2=CC=NC=C2 1 1.785 3 3 0 -9.48359555733109 2078763 CC1=NON=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 1.939 4 4 0 -22.1463534696463 2078725 CC(C)[C@@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.672 4 6 0 -34.8851154307037 2078723 C1=CC=C(C(=C1)CC2=NN=C(N2N)SCCOC3=CC=C(C=C3)Cl)F 1 4.247 4 1 -7.20540390436539 2078720 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.43 3 5 0 -28.4932133351258 2078706 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC 1 1.452 6 4 0 -25.0349202867008 2078704 C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3 1 0.878 3 5 0 -10.7611601633262 2078703 CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4)C)C 1 3.686 5 3 0 -12.014556602568 2078698 CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.126 4 2 -10.5565869749123 2078678 CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl)C(=O)OCC 1 3.285 4 5 0 -19.8594979160956 2078668 CC(=O)CSC1=NN=C(N1C2=C(C=CC(=C2)OC)OC)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 2.651 4 5 0 -16.3652139687998 2078665 CC1=CC(=NO1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 2.011 3 5 0 -17.178051712846 2078661 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C 1 3.01 4 5 0 -25.500548956218 2078659 C1CCCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCC(CC3)CC4=CC=CC=C4 1 3.352 3 3 -5.464881621068 2078656 CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4 1 3.791 0 7 0 -2.99028896772122 2078638 COCCOC(=O)/C(=C/C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3)/C#N 1 2.891 4 3 0 -14.1203190205021 2078633 CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NCC(F)(F)F 1 1.623 3 4 0 -20.1638753459708 2078629 C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)CNC(=O)C2=CC=CO2 1 -0.731 3 7 0 -25.8380099918168 2078615 C1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.197 1 4 1.37595579823632 2078612 COC1=CC=C(C=C1)NC(=O)CN2C(=O)C3(CCCCCCC3)NC2=O 1 2.506 3 4 0 -7.71177749767388 2078611 CCC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)OC 1 2.301 3 4 0 -9.42379740084884 2078604 C1CCCC2(CCC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)Cl 1 3.186 3 3 -5.47681259794292 2078591 C1CCN(CC1)C(=O)COC2=NC=NC3=C(C=C(C=C32)Cl)Cl 1 3.422 3 2 -2.47786943007546 2078590 CN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4OC 1 4.252 4 1 -4.4737072117997 2078589 CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC(=O)NC(C)(C)C)C 1 1.677 3 6 0 -19.2149542376436 2078588 C1=CC(=CC(=C1)Cl)NC(=O)COC(=O)CC2=CSC=C2 1 2.683 1 3 -7.88956622969108 2078554 COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=C(N=CC=C3)Cl 1 2.402 5 2 0 -11.9800779852416 2078551 C1=CC=C(C=C1)CNC(=O)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-] 1 1.274 5 5 0 -13.660877323942 2078545 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C(S3)NCC4=CC=CC=C4 1 2.353 4 3 0 -12.4423295218846 2078539 CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C=NN3)C 1 2.933 3 2 -0.453756246032459 2078537 COC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)C=NN3 1 1.945 3 3 0 -4.45065064615728 2078535 COC1=NC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br 1 2.438 2 3 -4.68592037531458 2078532 CC1=C(C(=CC=C1)NC(=O)COC(=O)CC2=CC(=CC=C2)C(F)(F)F)C 1 4.271 1 3 -4.25572045062271 2078530 CCC(CC)NC(=O)COC(=O)C1=C(C=CC(=C1)SC)Cl 1 3.725 1 3 -8.71815154705663 2078494 C1CC1C2=NN=C(S2)NC(=O)/C=C/C3=CC=C(O3)Br 1 2.538 3 2 -9.53981387466759 2078483 COC1=C(C=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)OC 1 2.788 2 4 -16.5441287825739 2078480 COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=CC=CC=C2O 1 2.666 0 6 -6.83527260437893 2078477 CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC=CC=C2)C 1 3.383 1 3 -9.00996127030538 2078449 CC(C)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3 1 3.169 3 2 -11.1906668635326 2078434 C1CCC(CC1)NC(=O)NC(=O)CN2CCC3=CC=CC=C32 1 2.765 3 2 -15.4022271721984 2078433 COC1=C(C=C2CN(CCC2=C1)C(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-])OC 1 3.231 2 5 0 -11.4732105334957 2078424 COC1=CC=CC(=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N 1 2.804 2 3 -12.2509754934068 2078423 CC(C)(C)NC(=O)C1=CC=CC=C1C2=NC3=CC=CC=C3S2 1 3.978 2 1 -4.0801433375726 2078389 CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NC(=O)C 1 3.818 2 5 0 -12.0235556493896 2078354 COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.529 5 3 0 -12.3518453997792 2078340 C1CCC(CC1)CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-] 1 3.514 2 3 -10.9100340619472 2078331 C1=CC(=CC=C1CNC(=O)C2=CC=C(O2)Br)Cl 1 3.249 1 2 -6.23827115456232 2078313 CCC(CC)NC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3 1 4.973 1 3 -1.15001625296074 2078310 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCCC3=CC=C(C=C3)Cl 1 4.153 2 2 -7.95089135102497 2078307 C1CN(CCC1C(=O)NCCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CS3 1 2.982 2 3 -15.465862575521 2078305 C1CC1C2=NN=C(S2)NC(=O)CCC(=O)C3=CC=CS3 1 2.015 3 2 -14.3107252027938 2078299 COC1=CC(=CC(=C1)NC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])OC 1 2.944 2 5 0 -7.79692196601708 2078275 CCC1=C(C(=CC=C1)CC)NC(=O)CCCSC2=NC3=CC=CC=C3S2 1 6.087 2 1 -10.2786646910517 2078271 CCC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2OC 1 2.49 3 2 -18.8935913924501 2078266 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=CC=CC=C3Br 1 3.151 1 3 -7.14930453672329 2078255 CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)C 1 4.082 2 3 0.900871899297077 2078229 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=O)C4=CC=CC=C4O3 1 2.661 2 3 -4.70826748582334 2078228 CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCC4=CC=CC=C43 1 3.364 2 1 -8.78323753493192 2078200 CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl 1 3.939 3 1 -1.23074369936744 2078189 COC1=CC=C(C=C1)CNC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 1.411 2 3 0 -11.6995948160825 2078174 C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)F 1 1.815 3 3 0 -6.58693426306449 2078150 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC)C 1 2.359 4 5 0 -18.2035048248459 2078139 CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)N(C)C 1 2.313 2 3 -13.1771955903091 2078122 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)NNS(=O)(=O)C4=CC(=CC=C4)Cl 1 4.577 3 3 -7.99360768906207 2078085 CC1=CC(=NO1)NC(=O)COC(=O)[C@H](C)NC(=O)C2=CC=CC=C2 1 1.004 3 5 0 -24.7711651644979 2078054 CC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)C2=CC(=C(C=C2)OC)OC)C 1 0.771 2 7 0 -18.5558468318077 2078041 CCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3CC3 1 2.487 4 1 -15.2661913844875 2078037 C1CCCN(CC1)CC(=O)NC2=CC=CC=C2OC(F)F 1 3.135 2 2 -6.25198036235091 2078035 CNC(=O)COC(=O)C1=CC2=C(S1)CCCC2 1 2.081 1 3 -13.325359833782 2078021 CC1=CC(=CC=C1)S(=O)(=O)N2CCCC3=CC=CC=C32 1 3.54 1 2 -12.2689078473761 2077990 CN(C)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)/C=C/C2=CC=CC=C2 1 1.376 2 4 0 4.25411017175307 2077980 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NNS(=O)(=O)C3=C(C(=CC=C3)Cl)Cl 1 1.708 3 6 0 -23.216016844917 2077967 C1=CC=NC(=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl 1 2.995 2 2 -0.920274570614181 2077938 C1=CC=C(C(=C1)/C=C\2/C3=CC=CC=C3NC2=O)F 1 2.936 1 1 -1.82711095394357 2077906 CC1=C(C(=NN1CC(=O)NCC(=O)OC)C)[N+](=O)[O-] 1 -0.431 4 5 0 -19.4379663667369 2077902 C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=C(C=C2)C#N 1 1.211 3 5 0 -17.9907704041329 2077883 CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC=CC(=C3)C(F)(F)F)C 1 4.247 2 1 -2.92836360534332 2077864 CC1=CC(=C(C=C1)O)C(=O)C2=CC3=C(NC(=O)N(C3)C)N=C2 1 1.942 3 3 0 -2.46392023359081 2077861 CN1CC2=C(NC1=O)N=CC(=C2)C(=O)C3=C(C=CC(=C3)OC)O 1 1.439 3 4 0 -4.6333374854599 2077855 CN1CC2=C(NC1=O)N=CC(=C2)C(=O)C3=CC=CC=C3O 1 1.456 3 3 0 -3.35696731384059 2077850 CN1CC2=C(NC1=O)N=CC(=C2)C(=O)C3=CC(=CC(=C3O)CSC4=NC=CC=N4)Cl 1 2.988 5 3 0 -7.64695170695255 2077845 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2)C 1 3.441 4 2 -21.3223646792941 2077765 CCN(CC(=O)NC(C)(C)C)C(=O)CN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O 1 1.207 3 4 0 -16.105789075161 2077763 CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC2=C(C=C(C3=C2N=C(C=C3)C)Cl)Cl 1 3.999 3 3 -9.50336957261029 2077744 CCC1=CC=C(C=C1)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)F 1 3.14 1 3 -7.82399590635679 2077691 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)F 1 1.468 3 3 0 -16.4026506413401 2077665 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)NC2=CC(=C(C=C2)F)F 1 1.202 3 4 0 -15.4174531214052 2077664 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2 1 0.876 4 4 0 -13.6705054895814 2077641 CN(C)C1=CC=CC(=C1)C(=O)NCC2(CCCCC2)N3CCCCC3 1 3.97 3 1 -12.2449284762443 2077639 CC(=O)NC1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 3.288 2 2 -4.62780888296541 2077625 C1CCC(CC1)(CNC(=O)COC2=CC=CC=C2)N3CCCCC3 1 3.643 2 2 -10.5457109773506 2077608 C1CCC(CC1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl 1 3.293 5 1 -13.088585796486 2077605 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)NC(C)C 1 2.692 5 3 0 -33.8917533645063 2077603 CN1C=CC=C1C(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2 1 2.969 2 3 -12.7236601751571 2077599 CC1=CC(=NO1)NC(=O)CSC2=NN=C(S2)NCC3=CC=CC=C3 1 2.082 5 2 0 -24.5291554306112 2077592 CC1=CC(=NO1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.038 3 6 0 -31.3585266876408 2077586 CCN1C(=NN=C1SCCOC2=CC=C(C=C2)Cl)C3=CC=CS3 1 5.007 3 1 -4.61450038773157 2077582 C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N)SC=C3C4=CC=CO4 1 3.367 3 3 -16.4850308485592 2077576 CC1=CC(=CC(=C1)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)C 1 3.798 1 3 -6.09932110649477 2077572 C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br 1 0.942 3 4 0 -19.8543553625984 2077550 C1CCC2=C(C1)C3=C(S2)N=C(OC3=O)C4=CC5=CC=CC=C5O4 1 4.905 1 3 -7.4004789522844 2077549 C1CCC2=C(C1)C3=C(N=CN=C3S2)N4CCN(CC4)CCO 1 2.614 4 1 -1.20123174253562 2077545 COC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC=C4 1 3.828 2 2 -0.59752090069866 2077531 CC1=C(SC2=NC=NC(=C12)NCC3=CC=CO3)C 1 2.857 3 1 -2.01781470003219 2077511 CC1=CC=CC=C1NC2=NC(=O)C(=NN2)C 1 1.409 4 1 0 -6.75684181646337 2076592 C1=CC=C(C=C1)OCCSC2=NN=C(N2N)C3=CN=CC=C3 1 2.192 5 1 -6.32716104676966 2076578 CC1=CC=C(C=C1)C2=NN=C(N2N)SCC#N 1 1.927 5 0 0 -8.53813781151533 2076562 C1=CC(=CC=C1C2=NN=C(N2N)SCC#N)F 1 1.646 5 0 0 -7.82626078605008 2074732 C1=CC=C(C=C1)CNC(=O)COC(=O)/C=C/C2=CC=CC=C2Cl 1 3.46 1 3 -8.65816506582732 2074036 COC1=C(C=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=CC=CS2)OC 1 3.038 1 5 -15.4729647939154 2072961 CCOC(=O)C1=C(N=C(S1)NC(=O)CCC2=CC=CC=C2)C 1 2.881 2 3 -14.44460973866 2072960 COC(=O)C1=CC(=CC=C1)NC(=O)CCC2=CC=CC=C2 1 2.961 1 3 -11.2492217450975 2072958 CC1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)CCC3 1 3.636 2 1 -14.697582599014 2072949 C1CCN(CC1)C(=O)C2=CSC3=C2CCCC3 1 3.206 1 1 -7.35359144840276 2072948 C1=CC(=CN=C1)CNC2=NC=NC3=C2C=C(C=C3)Br 1 2.444 4 0 2.49738576799547 2072740 CCCCCCNC(=O)C1=CC=C(O1)Br 1 3.242 1 2 -10.681031746409 2070994 CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.975 2 3 -6.1831549281606 2070988 C1CCCN(CC1)CC(=O)NC2=CC=CC=C2Cl 1 2.994 2 1 -4.59516437888287 2070975 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C4N3C=CC=C4 1 2.092 4 3 0 -18.3375110352912 2070974 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3Br 1 4.147 2 2 -6.82264780923589 2069435 CCCCC1=CC=C(C=C1)NC2=NC(=O)C=C(N2)CCC 1 4.173 3 1 -5.79074479726777 2069209 C1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)O)C(F)(F)F 1 1.975 4 4 0 -18.2270137562585 2068835 CC1=NC2=C(C(=N1)NC3=CC(=CC=C3)F)OC4=CC=CC=C42 1 3.596 3 1 8.17710919337773 2068771 CCCCNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=C(C=C3)F 1 3.73 4 2 -5.5666128344423 2068778 C1=CC=C(C(=C1)CC2=CN=C(S2)NC(=O)CC#N)Cl 1 2.516 3 1 -11.335913933762 2068808 COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC(=C4)C(=O)O 1 3.386 4 5 0 -3.28007511337632 2068563 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)NCCC2=CC=C(C=C2)Cl 1 3.052 4 2 -15.0524944348457 2068417 CC1=NC2=C(C(=N1)NC3=CC=C(C=C3)OC)OC4=CC=CC=C42 1 3.374 3 2 5.67779029359534 2068299 CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2 1 3.046 1 2 -2.42022443403773 2068291 C1CN(CCN1C2=NC3=C(C(=O)S2)SC=C3)C(=O)C4=CC=CO4 1 2.466 3 3 -12.3805266640418 2068194 C1CCN(CC1)C2(CCN(CC2)C(=O)CCCN3C(=O)C4=C(C=CS4)NC3=O)C(=O)N 1 0.51 5 4 0 -15.7491853417839 2068185 CCC(=O)NCCSC1=CNC2=CC=CC=C21 1 2.524 2 1 -7.00424352611724 2068180 C1CCC(CC1)NC(=O)C(=O)C2=CNC3=CC=CC=C32 1 3.075 2 2 -3.95288094692653 2068179 CC1=NC(=O)C(=C(N1)NCCO)CC=C 1 -0.107 3 2 0 -6.56744851622751 2068150 C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)O)NC4=CC=CC=C4 1 2.967 6 2 0 -2.40406695646885 2068115 CC1=CC=C(C=C1)C(=O)NNC2=NCCC2 1 1.209 3 1 0 -6.7991963904362 2068112 CC1CCN(CC1)C(=O)CCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 3.683 2 2 -19.2143556256502 2068103 C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)SC(C(C(F)(F)F)(F)F)(F)F 1 4.218 1 3 -2.85144152811368 2068085 C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3N=CC4=CC=C(S4)Br 1 4.951 6 0 2.07654581049888 2068039 CC(C)(C)C1=CC(=NN1)C(=O)O 1 2.024 2 2 -0.862884428079851 2068033 CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)O)C4CCCCC4 1 2.774 9 3 0 -23.7625655025615 2067945 CC1=CC(=C(C=C1)C)NC(=O)CCOC2=CC=CC=C2 1 3.67 1 2 -7.88032891309211 2067824 CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2)NC(=O)C 1 2.547 1 4 -17.284576096019 2067779 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NP(=O)(OC3=CC=CC=C3F)OC4=CC=CC=C4F 1 3.794 3 4 0 -9.9125140288108 2067755 CCCCN1C(=O)/C(=C/C2=CC=C(C=C2)N3CCCCCC3)/C(=O)NC1=S 1 4.833 3 2 -2.80240127824154 2067681 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.539 3 3 -4.95735066368618 2067677 COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 2.612 4 3 0 -18.4605294256857 2067672 CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)C 1 4.325 2 2 -5.39091186074103 2067656 CCC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O 1 3.552 2 6 0 -20.0378017102762 2067642 CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N)CSC(=S)N3CCOCC3)C 1 3.66 6 1 0 -8.97221554241374 2067540 C1=CC=C2C(=C1)N=C(S2)NN=CC3=CC=CN3CCOC4=CC=CC=C4Cl 1 5.324 4 1 1.74083915911315 2067533 CC(=O)NCC(=O)OCC(=O)C1=CC=C(C=C1)Br 1 1.085 1 4 0 -13.1537823405201 2067516 COC1=CC(=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)S(=O)(=O)C)OC 1 1.878 5 4 0 -8.74139680526125 2067498 C1=CC(=CC(=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=CS3)/SC2=S)C(=O)O 1 3.266 2 4 -12.1790571136278 2067483 C1=CC(=CC=C1COC(=O)CNC(=O)CNC(=O)C2=CC=C(C=C2)Br)Cl 1 2.801 2 4 -12.6457490451396 2067460 CC1=CC=C(C=C1)OP(=O)(NCC2=CC=CC=C2)OC3=CC=C(C=C3)C 1 5.269 1 3 -0.747221054376916 2067401 C1=CC=C(C=C1)CC(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC=CC=C2Cl 1 1.76 2 5 0 -16.8141879984217 2067308 CC(C)(C)C(=O)COC(=O)CNC(=O)CNC(=O)C1=CC=C(C=C1)OC 1 0.916 2 6 0 -19.4671206340098 2067268 CCOC(=O)C1=CN=C(N=C1N)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N 1 1.906 8 2 0 -9.98775849674765 2067177 CC1=CC(=CC=C1)OP(=O)(NC2=CC=C(C=C2)F)OC3=CC=CC(=C3)C 1 5.468 1 3 3.14690467380955 2066945 C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3N=CC4=C5C=CC=CC5=CC6=CC=CC=C64 1 6.246 6 0 3.17794853428507 2066824 CC1=CC=C(C=C1)NC(=O)CCCN2C(=O)/C(=C/C=C/C3=CC=CC=C3)/SC2=S 1 5.207 2 2 -6.6001211471382 2066745 CCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC)Cl 1 4.118 3 1 -4.52297245249216 2066742 CC1=C(C=C(C=C1)C(=O)COC(=O)CNC(=O)COC2=CC=CC=C2C)C 1 3.294 1 5 -15.2481821967753 2066741 CCCCCCOC(=O)/C=C/C1=C(NC(=O)NC1=O)C 1 2.026 2 4 -15.1484139618949 2066738 C1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)Cl 1 3.561 0 4 -10.2661829508053 2066641 CCCN1C(=NN=N1)NC(=O)COC2=C(C=C(C=C2)Cl)C 1 2.325 5 2 0 -13.6665779133481 2066628 CCCOC(=O)NC1=CC(=C(C=C1OC)Cl)OC 1 3.097 1 4 -9.91105172683358 2066478 CCCN1C=NC2=CC=CC3=C2C1=CC=C3 1 2.865 2 0 1.57869331477804 2066331 CC(=O)NC1=CC=CC=C1C(=O)OCC(=O)C2=CC=CC=C2Cl 1 2.726 1 4 -13.7739023558332 2066253 CCCCCC1=C(NC(=NC1=O)NCC2=CC=CC=C2)C 1 3.617 3 1 -9.69231838594853 2066150 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl 1 3.729 1 3 -7.31108360486614 2066145 CCOC(=O)CC1=CSC(=N1)NC(=O)COC2=CC=C(C=C2)C 1 2.6 2 4 -10.8140356153552 2066144 CCOC(=O)CC1=CSC(=N1)NC(=O)COC2=CC=CC=C2 1 2.114 2 4 -11.302269627324 2066140 C1CCCC(CC1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 2.806 2 3 -12.6943981370569 2066126 C1=CC(=CC=C1OCC(=O)C2=C(C=C(C=C2)O)O)Cl 1 3.249 0 4 5.48134145457621 2066077 C1=CC=C(C=C1)OCCN2C=CC=C2C=NNC3=NC4=CC=CC=C4S3 1 4.66 4 1 1.57118111745035 2066074 CC1=CC=C(C=C1)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 1 4.776 1 3 0.412754107857272 2065900 C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=CC3=NSN=C32 1 1.176 3 4 0 -14.0253977524267 2065764 CC(=O)NC1=NN=C(S1)SCC(=O)NCCOC2=CC=CC=C2 1 1.199 4 3 0 -22.5039309905593 2065714 CCOC1=CC2=C(C=C1)N=C(S2)N3C(=O)/C(=C/C4=CC=CC=C4)/NC3=S 1 4.57 3 2 -2.90126483888689 2065705 CCC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)CC2=CC=CC=C2 1 2.978 1 4 -17.2148868668142 2065372 CCCCC(=O)NC1=C(C=CC(=C1)NC(=O)CC)Cl 1 2.981 2 2 -9.22874089620409 2065549 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C/C(=O)NC3=CC=C(C=C3)Cl)/SC2=O 1 3.201 3 4 0 -3.39770996692188 2065524 C1=CC=C(C=C1)C(=O)NC(=NCC2=CC=CO2)N 1 1.638 3 2 0 -6.86484873082027 2065016 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NCCC2=CC=CC=C2 1 2.142 4 2 -19.1843794337059 2064852 CC1=C(C(=S)NC(=C1C(=O)NC2=CC=CC=C2)C)C#N 1 2.313 3 1 -9.00561888355397 2064755 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OCC(=O)N)S(=O)(=O)N 1 2.548 5 4 0 -15.7408346767538 2064549 C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(O3)C4=CN=CC=C4 1 2.354 5 1 -8.23634947357556 2064477 COCCCN1CC2=CC=CC(=C2C1=O)C(=O)O 1 0.558 1 4 0 -10.4036874078411 2064469 C1=CN(C(=O)NC1=O)CC(=O)NCCO 1 -2.286 3 4 0 -19.7486599455911 2064403 CCOC1=CC=CC(=C1)NCC2=CC3=C(NN(C3=NC2=O)C4=CC=CC=C4)C(C)(C)C 1 4.121 4 2 -2.92279811324951 2064400 CCOC1=CC=C(C=C1)NCC2=CC3=C(NN(C3=NC2=O)C4=CC=CC=C4)C(C)(C)C 1 4.121 4 2 -3.68821613816743 2064396 C1=CC=C(C=C1)CCCNC2=NC=CC=N2 1 2.269 3 0 -2.39641821721253 2064371 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC(=O)N 1 1.06 5 4 0 -33.2471293385256 2064357 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(C(=C(S4)C(=O)O)C)C(=O)N3 1 2.487 5 7 0 -33.3349043927557 2064352 CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CC3=CSC(=N3)N 1 1.765 6 1 0 -17.7217005395179 2064341 CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC)C(=O)O 1 3.156 3 6 0 -28.4648707016505 2064339 CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=C(N2CC=C)CC3=CSC(=N3)N)C 1 2.15 7 3 0 -24.9707005412138 2064335 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2C)CC3=CSC(=N3)N 1 2.381 6 3 0 -22.3055060401361 2064238 C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NCC4=CC=CO4)N)C(=O)C1 1 1.786 3 3 0 -16.7255778735211 2064228 CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)F)F 1 1.576 3 3 0 -6.32410727541474 2064203 C1CN(C2=CC=CC=C21)CC(=O)NC3=CC4=C(C=C3)OCO4 1 2.471 2 3 -14.647839406116 2064202 CC(=C(C(=O)NC1=CC=CC(=C1)C(=O)O)NC(=O)C2=CC=CC=C2)C 1 2.615 2 4 -10.1407918739694 2064175 C1=CC(=C(N=C1)SCC(=O)NC2=NON=C2N)C(=O)O 1 0.162 5 4 0 -18.472010150504 2064173 C1=CC2=C(C=C1S(=O)(=O)NCC(=O)O)NC(=O)C(=O)N2 1 -1.557 3 6 0 -17.2385482730159 2064134 C1=CC2=NC(=C(N2C=C1)C=O)Cl 1 1.631 2 1 0 -2.6537439840653 2064130 CC1=C(N2C=CC=CC2=C1C=O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.498 2 4 -5.83137521633687 2064128 CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C=O 1 2.467 1 5 -7.87855367873771 2064116 CN1C=NN=C1SCNC(=O)C(F)(F)F 1 0.746 4 1 0 -14.6949741269228 2064103 CC1=C(SC(=C1C(=O)C)NC2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 5.088 1 2 -6.00027476993879 2064087 C1=CC(=C(C=C1C(=O)O)NN)Cl 1 1.399 2 2 0 -1.74770552120943 2064076 CCOC(=O)N1CCN(CC1)C(=O)CC2=CC=CC3=CC=CC=C32 1 2.396 2 3 -7.17062303524072 2064069 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)CCl 1 2.887 1 2 -8.51142965017794 2064061 CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4)CN5CCCCC5)O 1 5.956 3 3 12.7879445310483 2064023 C=CCOC1=CC=CC=C1/C=C/C(=O)O 1 2.528 0 3 -3.7529142963541 2064018 CCOC1=C(C=CC(=C1)/C=C/C(=O)O)OCC2=CC=CC=C2 1 3.827 0 4 -4.73080538465081 2064002 CC1=CC(=C(O1)C)C(=O)NCCCC(=O)O 1 0.483 1 4 0 -17.0928140451789 2063994 C1=CSC(=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=NC=CS3 1 2.882 3 2 -15.5485707372743 2063963 CC1=CC(=C(C(=C1)Br)NC(=O)CCl)Br 1 3.465 1 1 -3.5005770933024 2063958 C=CCN1C=NNC1=S 1 0.975 3 0 0 -7.69956211282297 2063947 COC(=O)CSC1=C(C(=O)N2C=CC=CC2=N1)C=O 1 0.303 2 4 0 -16.5132422028131 2063929 CC1=CC=C(S1)C2=CSC(=N2)N 1 2.126 2 0 7.13381331978749 2063879 CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=NN2 1 1.727 3 2 0 -10.226424994447 2063877 CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)O 1 3.303 1 2 -3.19270513504005 2063875 C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)O)OC2=O 1 2.798 0 5 -14.2804217802891 2063864 CCN(CC)C1=CC=C(C=C1)C(=O)NN 1 1.2 3 1 0 -8.56922764557984 2063840 CCCCN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)O 1 2.178 2 3 -12.593024275446 2063790 COC1=C(C=C(C=C1)CCNCC2=CC=C(C=C2)F)OC 1 3.445 1 2 -1.57242332435789 2063733 CCCCCCCCSC1=NNC(=N1)N 1 3.601 4 0 -3.96067384744155 2063725 CC(=O)C1=CC=C(C=C1)N/C=C/C(=O)C2=CC=C(C=C2)Br 1 3.531 1 2 -2.19984239490961 2063721 CCN1C2=C(C=C(C=C2)NC(=O)CC(=O)C)C3=CC=CC=C31 1 2.909 2 2 -2.35882372386458 2063710 COC1=CC=CC(=C1)NC(=O)C(=O)NN=CC2=CC3=C(C=C2)OCO3 1 1.701 3 5 0 -8.55545565171777 2063708 COC1=CC=CC=C1NC(=O)C(=O)NN=CC2=CC=CS2 1 1.886 3 3 0 -11.428434185985 2063687 C1CCC(C1)C2=NN=C(S2)N 1 1.488 3 0 0 0.670570447263036 2063661 CCOC1=CC2=C(C=C1)N=C(N2)NCCCO 1 1.078 3 2 0 2.95906936454168 2063658 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC=C 1 3.071 2 2 -17.9703964285117 2063649 CCOC(=O)N1CCN(CC1)C(=O)CCl 1 0.321 2 3 0 -6.13871655031127 2063608 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.14 3 5 0 -10.6962450931084 2063599 CC1=C(C=CO1)C2=NNC(=S)N2C 1 1.351 3 1 0 -3.82051160015244 2063595 C1=CC=C(C(=C1)C2=NC(=CS2)CCl)Cl 1 3.69 1 0 3.35182064284443 2063589 CN(C)/C=C/C(=O)C(F)(F)F 1 1.138 1 1 0 -1.83214495798775 2063560 COC1=C(C=C(C=C1)Cl)C2=CSC(=N2)N 1 2.675 2 1 6.69958622987693 2063538 CCCSC1=NSC(=N1)N 1 1.888 3 0 0 -1.03393894336853 2063537 CCOC(=O)C1=C(C2=CC=CC=C2O1)N 1 1.882 1 3 0 1.91024439258678 2063527 COC1=C(C=CC(=C1)C=O)OCC2=CC(=CC=C2)Br 1 3.888 0 3 -6.23926994302036 2063494 C1=CC=C(C=C1)/C=C/S(=O)(=O)NCCCCCC(=O)O 1 1.646 1 4 0 -6.121851337268 2063483 CCOC1=CC=C(C=C1)S(=O)(=O)NN 1 0.375 2 3 0 -4.4447709848193 2063467 C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2)O)O)F 1 2.99 0 3 5.90857860950156 2063466 C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2)O)O)Br 1 3.533 0 3 5.56204052952169 2063462 C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)N)N 1 1.999 2 2 0 -0.725888730826149 2063443 C1CCC2=C(C1)C=C(S2)C(=O)O 1 2.796 0 2 -5.02969808981066 2063440 CC1=C(C(=NN1C)C)/C=C/C(=O)O 1 1.005 2 2 0 0.714067609278905 2063433 C1CCC2=C(C1)C3=C(N2)C(=CC=C3)C(=O)O 1 3.136 1 2 1.56603353378295 2063428 C1COCCN1C(=O)C2=C(N=CC=C2)Cl 1 0.654 2 2 0 -6.24859150094087 2063425 CC(C)(C)C1=CC(=NC(=N1)N)C(C)(C)OC 1 2.469 3 1 -1.18698352226543 2063413 C1CCC2=C(C1)C(=C(S2)N3C=CC=C3C=O)C#N 1 3.805 2 1 -7.84686750632698 2063397 C1COCCN1C(=O)C(C(C(C(C(=O)N2CCOCC2)(F)F)(F)F)(F)F)(F)F 1 0.481 2 4 0 -5.2710119838166 2063384 C1=CC=C2C(=C1)C=C(C(=N2)Cl)CCl 1 3.49 1 0 5.63408222897339 2063370 CN(C1=CC=C(C=C1)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 3.19 1 3 -3.63911729393502 2063368 CC(=C1C(=O)C2=CC=CC=C2C1=O)NCC3=CN=CC=C3 1 1.669 2 2 0 -5.68647952685563 2063295 C1=CC=C(C=C1)C#CP(=O)(O)O 1 1.284 0 3 0 0.695890991665931 2063326 C1=CC=[N+](C(=C1)SCC(=O)O)[O-] 1 0.397 1 3 0 -8.1179182849471 2063317 CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)C)C=O 1 4.742 2 1 -0.156693970428655 2063316 CC1=CC=C(C=C1)C2=NN(C=C2C=O)CC3=CC=CC=C3 1 4.255 2 1 -0.1451899329907 2063178 CC1=NC(=NC2=C1CCC2)NC3=NC4=CC=CC=C4O3 1 2.899 4 1 -1.67642747537032 2063176 COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)Br)CO 1 2.577 1 4 -7.44032554814946 2063174 COC1=C(C(=CC(=C1)CO)Br)OCC(=O)NC2=CC=CC3=CC=CC=C32 1 3.485 1 4 -8.06052332070707 2063103 C1C(=NC(=O)S1)NC2=CC=C(C=C2)F 1 2.087 2 1 -2.73863082856498 2063102 CC1=CC=C(C=C1)NC2=NC(=O)SC2 1 2.368 2 1 -3.45050785403023 2062923 CC1=C(SC2=NC=NC(=C12)NCC3=CC=CS3)C 1 3.415 3 0 -3.55103060884214 2062920 C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NCC3=CC=CS3 1 2.183 5 1 -27.3885444608672 2062917 CC1=NC2=C(C=CS2)C(=N1)SCC(=O)N3CCOCC3 1 1.102 3 2 0 -16.6876706675099 2062646 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)NC2=CC(=CC=C2)Cl 1 2.112 4 4 0 -8.23877119397854 2062645 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=O)NC2=CC(=CC=C2)Cl)C 1 2.752 4 3 0 -9.96176083432708 2062636 CC(=O)NC(=S)NNC(=O)CCC1=CC=CC=C1 1 1.5 3 2 0 -11.481301170276 2062529 CCOC(=O)CCC(=O)NNC(=O)COC1=C(C=C(C=C1)C(C)C)Br 1 2.404 2 5 0 -15.2933381949042 2062498 COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 1.75 3 5 0 -29.9893252238084 2062486 C1=CC(=CC=C1NC(=O)CN2C(=O)/C(=C/C(=O)NC3=CC=C(C=C3)Cl)/SC2=O)F 1 2.92 3 4 0 -4.3028943302168 2062404 CC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)OC 1 2.173 1 4 -7.49488465344374 2062399 C1CCC2=C(C1)C3=CC(=C(C=C3OC2=O)OCC(=O)N)Cl 1 2.835 1 4 -13.3511031493614 2062387 CN(C)C(=O)COC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2 1 2.582 1 4 -13.682549645276 2062383 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC=C2Cl 1 1.952 2 4 0 -7.05430190267851 2062369 C1=CC=C(C=C1)CCNC(=O)CSC2=NNC(=N2)C3=CC=NC=C3 1 2.391 5 1 -10.0093175866606 2062367 CCN(CC)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 3.526 4 2 -18.6032995250556 2062366 C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F 1 2.889 1 4 -3.30624213429074 2062326 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=CC4=CC=CC=C4O3 1 4.061 3 3 -6.23848573616725 2062323 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCC3=CC=NC=C3 1 1.706 2 3 0 -7.53012334615247 2062301 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NNC(=N2)C3=CC=NC=C3 1 2.577 5 3 0 -4.08243401440487 2062299 CC1=NC(=NN1)SCC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 2.047 4 4 0 -8.82699451070935 2062297 CC1=CC(=O)N=C(N1)SCC(=O)C2=CC(=C(C=C2)OC)C 1 2.693 2 3 -13.1473985640359 2062280 C1CCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=NC=C3 1 0.742 6 1 0 -13.3997735610831 2062268 CCCC1=CC(=O)N=C(N1)NC2=CC=C(C=C2)N3CCCCC3 1 3.398 4 1 -4.89924175222336 2062266 CCCOC1=CC=CC=C1NC2=NC(=O)C(=NN2)C 1 1.779 4 2 0 -7.42774436637632 2062265 CCN(CC)CCCNC1=NC(=O)C(=NN1)C 1 0.245 5 1 0 -9.03929205017122 2062261 CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C)C)C#N 1 2.374 2 3 -15.2191796811213 2062249 CC(=O)NC1=CC=C(C=C1)NC=C(C#N)C#N 1 0.477 4 1 0 -6.16001926100756 2062236 COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC 1 2.476 2 5 0 -13.2304571504704 2062186 CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)NCC4=CC=CO4 1 3.028 3 3 -14.5587155285952 2062124 C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)N 1 0.399 2 3 0 -3.87718161546452 2061961 C1C(=O)NC2=C(O1)C=CC(=C2)C3=CSC(=N3)N 1 0.817 3 2 0 5.91477227385532 2062145 CCOC1=CC=CC=C1OCC(=O)NCC2=CC=CO2 1 1.971 1 4 0 -14.0853280030971 2061233 C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)N 1 1.206 3 2 0 -6.7468415208422 2061103 CC1=C(SC2=C1CN(CN2C(=O)C3=CC=CC=C3)CCOC)C 1 2.982 2 2 -6.62435053257425 2061000 COC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NC4=CC=CC=C4O3 1 2.279 7 4 0 -22.8587573823556 2060987 COC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=N3 1 1.6 7 3 0 -25.4477093250541 2060921 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCCC3=CNC4=CC=CC=C43 1 3.782 3 2 -13.401892405367 2060916 CN(C(=S)NC1=CC=C(C=C1)Cl)N 1 2.613 3 0 -2.49833156858664 2060907 C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3CO)C4=CC=CC=C4 1 3.184 2 3 11.8363714719224 2060890 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)C3=CC=C(C=C3)Cl 1 3.517 2 3 -11.3854439130909 2060885 CC1=CC(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)[N+](=O)[O-] 1 3.669 3 2 -6.60342485161621 2060829 CC1=CC(=CC=C1)OC2=CC=CC=C2N 1 3.129 1 1 3.23249518401759 2060622 CC1=CC=CC(=C1)C2=NN(C(=C2)N)C3=CC=CC=C3 1 3.867 3 0 8.10383178347784 2060619 CN1C=CC=C1CC(=O)NN=C/C=C/C2=CC=CC=C2OC 1 2.653 3 2 -4.62924748812981 2060588 C1COCCN1N=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4 1 3.424 4 1 8.95108102844176 2060585 C1CN(CCN1)C(=O)C2=CC=CC=C2Cl 1 1.329 2 1 0 -10.7450860780708 2060565 CC1=CC(=NC2=C1C(=NN2)NC(=S)NC3=CC=CC=C3)C 1 3.894 5 0 -4.54934651750656 2060554 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4 1 3.698 4 2 -13.203231918312 2060552 CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3CC3 1 3.069 4 1 -18.3796595246744 2060551 C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N 1 1.932 4 1 0 -11.2428560947134 2060527 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC=C3 1 3.574 2 3 -8.7932817975332 2060526 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC(=NO3)C4=CN=CC=C4 1 1.126 4 3 0 -2.51471420125687 2060525 COC1=CC=C(C=C1)C2=C(C=C(C=C2)OC)C(=O)O 1 2.945 0 4 -0.741584786549548 2060523 CC(C)(C)C1=NC2=CC(=NN2C(=C1)N)C(C)(C)C 1 3.553 4 0 -3.89082802453161 2060509 CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CS4 1 3.132 4 3 0 -18.6185438568313 2060456 C1=CC(=CC(=C1)Cl)N2C(=CC(=N2)C3=CC=CS3)C(=O)O 1 4.542 2 2 4.61437732436358 2060447 CC1=C(N2C=CC=CC2=C1C=O)C(=O)C3=CC=CC=C3Cl 1 4.268 1 2 -2.66345704400886 2060443 CC1=C(N2C=CC=CC2=C1C=O)C(=O)C3=CC=CC=C3 1 3.603 1 2 -3.38262516916779 2060442 C=CCN1C(=NNC1=S)C2CCCCC2 1 3.18 3 0 -8.23225123778523 2060430 CCC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Cl 1 4.749 1 1 0.12732185996673 2060301 C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5 1 4.855 4 1 -18.129650290606 2060300 CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OC 1 2.853 2 2 0.429263690093706 2060247 CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=O 1 2.998 0 4 -2.5818838091959 2060112 CC1=CC=C(C=C1)C(=O)CCC(=O)CCC(=O)O 1 1.847 0 4 0 -4.41191932078876 2060110 CCNC(=S)NN=CC1=C(C=CC=C1Cl)Cl 1 3.909 3 0 -7.79096717945831 2060107 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4 1 4.558 4 2 -14.174440577219 2060096 C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N2C=NC=N2 1 0.896 4 4 0 -9.7667845016186 2060093 C1=CC2=C(C=C1F)C(=O)C(=C(O2)N)C=O 1 0.986 1 3 0 1.98972644595425 2060089 C/C(=C\C1=CC=C(C=C1)N(C)C)/[N+](=O)[O-] 1 2.485 2 2 0.379325165843439 2060087 C(CC1=NC(=NN1)N)CO 1 -0.478 4 1 0 -0.200838637582971 2060023 CC1=CC(=NO1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.483 3 5 0 -15.643590932003 2060018 C1CN(C2=CC=CC=C21)C(=O)CN3C=C(C4=CC=CC=C43)C=O 1 3.005 2 2 -11.3253874833308 2059990 CC(C)(C)C(=O)/C(=C/C1=CC=C(C=C1)O)/C#N 1 3.171 1 2 -5.89408931099918 2059989 C1CN(CCN1C(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.826 4 2 -4.60918727988319e-002 2059988 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CS2)OC 1 2.863 1 3 -11.9902398767709 2059984 CC1=CC(=C(C(=C1)C2(CCCCC2)C)O)CN3CCN(CC3)CCC#N 1 4.481 3 1 -0.384216875164651 2059978 C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCOCC3)O 1 2.632 1 3 -5.9818200646001 2059969 CC1=CC(=C(C=C1)C(C)(C)C)SCC(=O)NC2=NN=C(S2)C 1 3.629 3 1 -12.948466283822 2059967 CN1C=C(C2=CC=CC=C21)C(=O)C(=O)NC3CCCCC3 1 3.281 2 2 -6.92602468656755 2059966 CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3 1 3.4 1 5 -5.10207270449783 2059964 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(S3)N 1 1.063 4 3 0 -17.3082787503556 2059961 CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=CC=CC=C4O3)OCO2 1 2.583 2 5 0 -12.8124728352628 2059949 CCCCC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=NC=C2 1 3.349 2 2 -5.00255176418648 2059943 CC1=NC2=CC=CC=C2C(=N1)SCCOC3=CC=C(C=C3)F 1 4.262 2 1 -1.02695523024234 2059938 CCCCC1=NC(=C2C(=C1)C3=CC=CC=C3OC2=O)NC(=O)CC 1 3.988 2 3 -8.21750285015142 2059922 C1=CC=C2C(=C1)N(C(=O)N2S(=O)(=O)C3=CC=CS3)S(=O)(=O)C4=CC=CS4 1 2.98 2 5 0 -7.52767608359556 2059919 C1=CC=NC(=C1)SCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 2.496 3 3 -11.9209697788657 2059917 COC1=CC=C(C=C1)OCCNS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43 1 3.86 1 5 -6.80471379606925 2059914 CN1C(=O)C(C(=O)N(C1=O)C)CC2=CC=C(C=C2)OCC=C 1 1.916 2 4 0 -11.8936083764917 2059895 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-] 1 1.857 4 5 0 -9.69556617894373 2059880 COC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)OC 1 2.972 2 6 0 -2.58089786970468 2059863 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CN=CC=C3 1 0.959 2 4 0 -8.34036096171331 2059861 COC1=CC=C(C=C1)S(=O)(=O)NCCSCC2=CC=CS2 1 2.661 1 3 -6.67951711879907 2059860 C1=CC=NC(=C1)SCCNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.984 2 2 -5.94724473747093 2059858 C1=CC=NC(=C1)SCCNS(=O)(=O)C2=CC=C(C=C2)Br 1 3.068 2 2 -7.40390448257237 2059848 CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C)C 1 2.15 5 4 0 -17.3387237910951 2059842 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=C(C=C3)F)C 1 4.219 1 3 -8.92312368862664e-002 2059832 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3Br 1 1.744 4 1 0 -1.88976645302079 2059829 CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NOC(=C4)C 1 3.985 3 2 -14.1126654335752 2059808 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3CCCCC3 1 3.613 3 4 0 -14.5141701482501 2059760 C1COC2=C(O1)C=CC(=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O 1 1.235 2 6 0 -8.67128473056812 2059723 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C4=CC=CC=C4OC3=O 1 3.126 3 3 -0.915953891499464 2059722 C1=CC=C(C=C1)SCCC(=O)NCCSC2=CC=CC=N2 1 3.258 2 1 -12.8104646132653 2059717 CCCOC1=CC=CC=C1CN2C3=CC=CC=C3OC2=O 1 3.985 1 3 -0.545907346950749 2059714 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3Br)N(C)C 1 4.815 2 3 -3.19311708554975 2059709 CC1=CC2=CC=CC=C2N3C1=NN=C3SCC4=C(ON=C4C)C 1 3.977 4 1 -14.7604727439041 2059696 CC1=NN=C(S1)SCC(=O)NC2=NSC(=N2)C3=CC=CC=C3 1 2.517 5 1 -11.8789555991265 2059585 CCC1=NN=C(S1)NC(=O)C2=C(C3=CC4=C(CCCCC4)N=C3S2)N 1 3.447 5 1 -21.6996846526673 2059558 CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)C 1 2.907 3 2 -9.55256571448042 2059546 COC1=CC(=C(C=C1NC(=O)C(=O)NCCN2CCNCC2)OC)Cl 1 0.496 4 4 0 -20.6903367436127 2059539 C1=COC(=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)O 1 3.15 1 4 -1.78915424317572 2059491 COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCCN2CCOCC2 1 1.361 2 4 0 -8.82429124855032 2059472 CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 1 3.632 1 3 -14.9380849951091 2059467 CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 -0.176 5 3 0 -23.693151713825 2059463 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC4=CC=CC=C4O3 1 4.019 3 2 -3.39350217458147 2059454 CCSC1=NN=C(S1)NC(=O)CSC2=NC(=CC(=N2)C)C 1 2.221 5 1 -20.645681346844 2059429 CN1C2=C(C=C(C=C2)OC)C3=CC=CC=C31 1 3.512 1 1 5.66127775192251 2059381 C1CCN(C1)CCCNC(=O)NC2=CC=C(C=C2)F 1 1.813 3 1 0 -5.35182332954706 2059352 CCCCN(CC1=CC=CC=C1)C2CCN(CC2)CC3=CC=CC=C3 1 4.926 2 0 2.09054778606823 2059342 CCOC(=O)N1CCC(CC1)NC2CCCCCCC2 1 2.917 2 2 -1.34479506850665 2059325 C1CC(=O)N=C2N(C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.701 4 2 -10.5897574295728 2059324 C1=CC=C(C=C1)COC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43 1 4.354 2 3 -5.47358530003788 2059318 CC(C)SC1=NC=NC2=C1OC3=CC=CC=C32 1 3.79 2 1 3.02431982975949 2059317 CCCSC1=NC=NC2=C1OC3=CC=CC=C32 1 3.936 2 1 0.904182878324212 2059313 COC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=CO3 1 2.352 4 4 0 -20.2318575804902 2059298 CC1=CC=CN2C1=NC3=C(C2=O)C=C(S3)C(=O)NC4CCCCCC4 1 3.384 3 2 -18.3007570982183 2059297 CC1=CC=CN2C1=NC3=C(C2=O)C=C(S3)C(=O)NCCCOC 1 1.001 3 3 0 -21.8845224478875 2059287 CCCCN(CC)C(=O)C1=CC2=C(S1)N=C3C(=CC=CN3C2=O)C 1 2.953 3 2 -18.0556303987943 2059275 CC(C)NC(=O)C1=CC2=C(S1)N=C3C=CC=CN3C2=O 1 1.349 3 2 0 -22.1581842956077 2059270 CC(C)CN(CC(C)C)C(=O)C1=CC2=C(S1)N=C3C=CC=CN3C2=O 1 3.213 3 2 -17.9491377802692 2059200 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)NC3=CC=CC(=C3)C(=O)C 1 2.647 3 3 -17.8459969115126 2059172 C1COCCN1C(=O)NCCNS(=O)(=O)C2=CC=CC=C2 1 -0.177 3 4 0 -15.6185828629412 2059132 CC(C)(C)C1C/C(=C\C2=CC=CC=N2)/C(=O)/C(=C\C3=CC=CC=N3)/C1 1 4.859 2 1 0.826630967577687 2059127 C1COCCN1C2=C(N=C(O2)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4 1 3.932 2 4 -5.09263417009217 2059125 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CO3)/C(=O)NC2=S 1 3.273 2 4 -0.605925332783421 2059122 CCCCSC1=NC(=C(C=C1C#N)C(=O)C)C 1 2.99 2 1 -11.3348482075531 2059107 C1CCCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.147 2 3 -16.0616639062481 2059105 C1=CC(=CC(=C1)Cl)NC(=S)NCC2=CC=CS2 1 4.5 2 0 -7.10475825260878 2059073 COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)CCCC3 1 2.688 2 3 -5.15531054660401 2059071 COCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.683 4 5 0 -10.6528976335476 2059024 CC(C)(C)C1=CC=C(C=C1)OCCCN2CCCC2 1 3.876 1 1 6.5300567640939 2059021 C1CCN(C1)CCCCCCOC2=CC=CC=C2F 1 4.173 1 1 3.33737640816766 2058973 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C4=CC=CC=C42)OC5=C3C(=O)CCC5 1 3.904 1 5 -14.5140877022521 2058969 CC1=CC=CC=C1OCCCCC2=C(NN=C2C)C 1 3.988 2 1 1.45754454527934 2058965 C1COCCN1CCCCCOC2=CC(=CC=C2)Cl 1 3.403 1 2 1.93122602611237 2058961 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCC(=O)O 1 2.99 1 6 0 -10.1331704810028 2058926 COC1=CC(=CC=C1)OCCCCN2CCCCC2 1 3.495 1 2 2.03060500017088 2058905 CCCCN1C(=O)C2=C(N=C1SCC(=O)N)SC3=C2CCC3 1 3.132 3 2 -26.9197264924876 2058901 C1CCN(CC1)CCCCOC2=CC=CC=C2F 1 3.717 1 1 3.04015801153594 2058876 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCOC(=O)C3=CC=CO3 1 1.519 2 5 0 -7.66157910534166 2058873 C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)Br)NC(=O)/C=C\C(=O)O 1 4.051 1 3 1.82585004656886 2058861 CC1=CC=CC=C1OCCCN2CCCC2 1 2.961 1 1 4.29034089840852 2058821 COC1=C(C=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)Cl)OC 1 4.767 2 2 1.93484978864394 2058816 CCCNC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=CC=C3)C(F)(F)F 1 4.678 4 1 -11.560032747906 2058807 CC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.457 2 2 1.64263261476227 2058779 CCCCNC(=O)C1=NN2C=C(C=NC2=N1)Br 1 1.627 5 1 0 -10.8714930931647 2058777 COCCNC1=NC=NC2=C1NC=N2 1 -0.494 5 1 0 -4.36679326356422 2058723 CCCCCCC(=O)C1=C(NC(=C1C)C(=O)OCC)C 1 4.282 1 3 -10.4253869259096 2058658 CCCSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)F 1 2.662 4 1 -4.11169103319563 2058650 CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=CC=NC=C4)CCCOC 1 0.685 5 5 0 -21.4064709023583 2058637 CC(C)COC(=O)NCCCOC(=O)NC1=CC=CC=C1 1 2.683 2 4 -10.7983364516103 2058613 CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=CC(=CC=C4)OC)CC5=CC=CO5 1 2.653 4 6 0 -19.8941673469492 2058492 C1CCC(C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.037 2 4 -12.4441127610879 2058458 CC1=C(C=C(C=C1)CC2=CC(=CN=C2)O)S(=O)(=O)O 1 2.23 1 4 -6.01207419396622 2058450 CCOC(=O)/C(=C/C1=CNC2=CC=CC=C21)/NC(=O)C 1 1.62 2 3 0 -3.95536678400203 2058449 CCCCN1CCC2=C(C1=O)NC3=CC=CC=C23 1 3.232 2 1 -7.85914106193417 2058445 CCCCN1C=CC(=O)C2=C1C=CN=C2C(F)(F)F 1 3.115 2 1 -2.8479770159723 2058422 CCCC(=O)OCCNC(=O)C1=CC2=CC=CC=C2OC1=O 1 2.03 1 5 -21.6495705743882 2058390 C1=CC=NC(=C1)CCSCC(=O)O 1 1.172 1 2 0 -8.82620070032877 2058386 COC1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)SCC=C)CC=C)C#N 1 3.465 3 2 -11.933625573114 2058362 CCCCC1=C(C2=C(C=CC(=C2)C)NC1=O)C 1 4 1 1 -5.85204082838987 2058360 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C)/C(=O)NC2=S 1 3.419 2 4 -0.841552715403485 2058349 C1CCN(CC1)CCCCOC2=C(C=CC(=C2)Cl)Cl 1 4.84 1 1 3.87427617086238 2058338 C#CCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N 1 5.72 2 0 -5.39607186824251 2058335 CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC 1 4.92 1 1 -1.48204249662379 2058274 C1CCN(CC1)CCN2C3=CC=CC=C3C(=O)C2=O 1 1.932 2 2 0 1.28264295843718 2058213 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3OC)OCO4 1 2.487 2 7 0 -5.85468547469917 2058193 C1=CSC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C3=CC=CS3 1 2.936 2 4 -7.9548416607694 2058153 C/C(=C\C1=CC=CC=C1)/CN2CCN(CC2)C 1 2.775 2 0 1.06674821595191 2058137 CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)O 1 5.034 1 2 -1.98606905111216 2058099 C1CCC(CC1)NC(=O)C(=O)NCCC2=CC=CC=C2 1 2.49 2 2 -12.6683177906338 2058082 CC(C)CNC(=O)C(=O)NCC1=CC=CC=C1 1 1.503 2 2 0 -10.4880718991874 2058050 C1=CC(=C(C=C1NC(=O)OCCCNC(=O)CC#N)Cl)Cl 1 2.236 3 3 -13.519270284227 2058026 CCCN1C2=C(C=C(C1=NC(=O)C)C(=O)OCC)C(=O)N3C=CC=CC3=N2 1 1.112 4 4 0 -17.7580399861968 2057948 CCCC1=CC(=O)N=C(N1)SC/C=C/C2=CC=CC=C2 1 3.999 2 1 -7.53355357653648 2057917 C1CCCC(CC1)NC(=O)C2=CC=CS2 1 3.305 1 1 -8.43667076950546 2057913 CC1=C(C(=NN1)C)CCCOC2=CC=C(C=C2)OC 1 3.03 2 2 1.19919820639641 2057900 C1COC(=N1)C2=CC=C(C=C2)OCCO 1 1.208 1 3 0 -1.14638361642149 2057897 CCCCCCNC(=O)NC1=CC=CC=C1 1 3.187 2 1 -9.13427542636254 2057884 C1CCN(C1)CCCCCOC2=CC=CC=C2Br 1 4.26 1 1 3.767462605975 2057881 C1COCCN1CCCCCOC2=CC=C(C=C2)Cl 1 3.403 1 2 2.39931929862947 2057877 C1COCCN1CCCOC2=CC=CC=C2F 1 1.907 1 2 0 1.20582896494727 2057869 CC1=CC(=C(C(=C1)OCCCCN2CCCCC2)C)C 1 4.97 1 1 4.11146884764558 2057839 COCC1=NN=C(O1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -0.668 4 6 0 -25.3009771776217 2057833 C1COCCN1CCCOC2=CC=CC=C2Br 1 2.45 1 2 1.63591516275461 2057828 CCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)N)C(=O)OCC 1 2.98 3 3 -1.06928271073444 2057812 C1CCN(CC1)CCCCOC2=CC=C(C=C2)[N+](=O)[O-] 1 3.406 2 3 0.527329086220154 2057799 C1CCN(CC1)CCCCOC2=CC=CC=C2Cl 1 4.176 1 1 2.7146009661851 2057794 C1CCN(C1)CCCCOC2=CC=CC=C2Cl 1 3.72 1 1 3.06906948035318 2057788 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CS4 1 1.213 4 5 0 -23.9544202291354 2057784 C1CCN(C1)CCCCCOC2=CC=CC=C2F 1 3.717 1 1 3.33737640816766 2057778 CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=CS3 1 3.203 4 4 0 -18.4723104561939 2057777 CC1=CC=C(C=C1)OCCCCC2=C(NN=C2C)C 1 3.988 2 1 1.11912626185342 2057726 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C3CS(=O)CC3=NN2C(C)(C)C 1 2.723 3 5 0 -13.4905437837715 2057710 C1CCN(CC1)CCCCOC2=CC=C(C=C2)Br 1 4.26 1 1 3.39851588197649 2057705 CCCSC1=NC(=O)C=C(N1CC=C)O 1 2.589 2 2 -14.5350138530285 2057691 C1CCN(CC1)CCCCOC2=CC(=CC=C2)Cl 1 4.176 1 1 4.38708235456082 2057682 COC1=CC=CC=C1OCCCCN2CCCCC2 1 3.495 1 2 -0.588867332943797 2057673 COC1=CC(=CC=C1)OCCCN2CCCCC2 1 2.915 1 2 2.59488216449429 2057670 CC1=CC(=CC=C1)OCCCCC2=C(NN=C2C)C 1 3.988 2 1 2.21096905099221 2057668 CC1=CC(=C(C=C1)OCCCCN2CCCCC2)C 1 4.484 1 1 4.39625762060254 2057652 COCCCNC(=O)C1=CC=CS1 1 0.922 1 2 0 -12.0204361191746 2057603 COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2 1 1.719 1 4 0 -18.23583490493 2057605 CCN(CC)CCCNC(=O)C1=CC=CC=C1C 1 2.423 2 1 -11.8701470544779 2057568 C1=CC=C(C=C1)C2=CC(=NC(=N2)Cl)C3=CC=C(C=C3)Br 1 5.549 2 0 5.65488823091181 2057567 CC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)Cl 1 5.286 2 0 5.28954928542643 2057555 CCCCN(CC)C(=O)CN1C2=CC=CC=C2SC1=O 1 3.047 2 2 -10.4137950461917 2057546 CCCNC1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3 1 0.177 6 2 0 -1.88689465340109 2057538 CC1=NC(=CC(=N1)N2CCCC2)C3=CC=CC=C3 1 2.496 3 0 0.819709225931502 2057520 CC(C)NC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl 1 3.497 1 2 -14.2242017898146 2057513 C1=CC=C(C=C1)CCCCNC(=O)C2=CC=CC=C2F 1 4.06 1 1 -10.5654199386872 2057509 C1=CC=C(C=C1)CCCCNC(=O)C2=CC(=CC=C2)Br 1 4.603 1 1 -8.09048741174605 2057506 C1=CC=C(C=C1)CCCCNC(=O)C2=CC=CC=C2Br 1 4.603 1 1 -8.45436282649675 2057491 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCCO 1 2.028 1 2 -11.7494884022403 2057467 C1CCC(CC1)C2C(=O)NC(=S)NC2=O 1 2.019 2 2 -7.08517712573682 2057449 C1=CC=C(C=C1)CCCCNC(=O)C2=CC=C(C=C2)F 1 4.06 1 1 -7.72308647427878 2057446 C1=CC=C(C=C1)CCCCNC(=O)C2=CC=CC=C2Cl 1 4.519 1 1 -9.37264863636177 2057443 C1=CC=C(C=C1)CCCCNC(=O)C2=CC=C(C=C2)Br 1 4.603 1 1 -8.06962455425866 2057411 C1CCN(CC1)CCCCOC2=CC=CC=C2 1 3.511 1 1 2.5449429245223 2057407 CCCCCCC1=NN=C(S1)NC(=O)OCC 1 3.168 3 2 -11.2594624925482 2057402 CCCCCC1=NN=C(S1)NC(=O)OCCC 1 3.236 3 2 -10.8272210224009 2057396 CCCCCOC(=O)NC1=NN=C(S1)CCC 1 3.236 3 2 -10.389949613793 2057395 CC1=CC(=CC=C1)OCCCN2CCOCC2 1 2.188 1 2 2.29069067904122 2057362 CC1=C(C(=CC=C1)OCCCN2CCOCC2)C 1 2.674 1 2 3.25043826629088 2057358 CC1=C(C(=CC=C1)OCCCCCN2CCOCC2)C 1 3.711 1 2 2.6289109844311 2057350 CCCCCP(=O)(C1=CC=CC=C1)O 1 2.971 0 2 -4.63587499195803 2057347 CC1=CC=C(C=C1)OCCCCN2CCCCC2 1 3.998 1 1 3.03317693649111 2057324 C1COCCN1CCCCOC2=CC=CC=C2 1 2.282 1 2 0.146336713610215 2057322 CC1=CC=CC=C1OCCCCN2CCCCC2 1 3.998 1 1 3.37159521991702 2057313 C1COC(O1)(CN2C=CC3=CC=CC=C32)C4=CC=CC=C4 1 3.647 1 2 -3.90962922735668 2057307 C=CCSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CC=C2)C#N 1 3.445 4 0 -7.95669612403222 2057305 COC1=CC=CC(=C1)/C=C\2/C3=CC=CC=C3C(=O)C2=O 1 3.21 0 3 0.358783163161302 2057288 CC1=CC=C(C=C1)OCCCCCN2CCOCC2 1 3.224 1 2 0.577320608042655 2057268 CCOC(=O)/C(=C\1/C=CN(C=N1)CC2=CC=CC=C2)/C#N 1 1.307 3 2 0 -3.07707595883183 2057265 CCN(CC)CC#CC(C)(C)OC(=O)C 1 2.03 1 2 -6.31616741335017 2057237 CCCCSC1=NC(=O)C(=NN1)C2=C(C=CC(=C2)Br)N 1 3.556 4 1 -9.13825630318349 2057228 C1CC1C(=O)C2=CN(C3=CC=CC=C32)CC(=O)NCC4=CC5=C(C=C4)OCO5 1 3.238 2 4 -19.5213615227765 2057165 CC(C)CN(CCC(=O)O)CC(C)C 1 -0.602 1 2 0 -6.75749852593037 2057159 CN1C=C(C2=CC=CC=C21)C(=O)C(=O)N3CCOCC3 1 1.316 2 3 0 -9.49632676349811 2057158 C1CCN(C1)C(=O)C(=O)C2=CNC3=CC=CC=C32 1 1.884 2 2 0 -4.60041805991342 2057157 CC1=CC(=NC2=NC(=NN12)SCC#N)C 1 1.599 5 0 0 -11.420111509932 2057146 CC1=C(C(=NN1CCCC(=O)O)C)[N+](=O)[O-] 1 0.853 3 4 0 -11.3985994979959 2057144 C1CC1C2=C(SC(=N2)N)SC3=C(N=C(S3)N)C4CC4 1 2.779 4 0 0.133432004075933 2057131 CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)OCC 1 4.123 2 4 -7.46587461014815 2057118 C1=CC=C(C=C1)/C=C/CN2C3=CC=CC=C3C(=O)C2=O 1 2.927 1 2 6.40022873537101 2057116 C1CCN(CC1)C(=O)CSC2=NN=C(S2)N 1 0.823 4 1 0 -14.3223666665817 2057115 CC(C)NC(=O)C(=O)NCCOC=C 1 -0.407 2 3 0 -18.5621296918373 2057112 CC(C(=O)NC1=NCCS1)(C(F)(F)F)C(F)(F)F 1 2.896 2 1 -10.8990757227158 2057032 C1=CC(=CC=C1NC(=O)CCC(=O)OCC(C(F)F)(F)F)Cl 1 2.69 1 3 -11.8732944857346 2057001 COC1=CC=C(C=C1)/C=C/C=C\2/C(=O)NC(=S)N2 1 2.281 2 2 -0.527180145522017 2056940 C1=COC(=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N 1 2.246 4 2 -7.4186377162011 2056919 C/C(=C\C1=CC=CC=C1)/CN2CCN(CC2)C3=CC(=CC=C3)Cl 1 5.111 2 0 6.88489029251312 2056866 C/C(=C\C1=CC=CC=C1)/CN2CCN(CC2)C3=CC=CC=C3 1 4.447 2 0 2.02535471231227 2056854 C=CCOC1=CC=CC=C1CN2CCSCC2 1 2.936 1 1 -4.04900214456904 2056784 CC1=CC(=C(C=C1)C2=NC(=NO2)C3=CC=CC=C3)Cl 1 4.295 2 1 10.4501427977778 2056744 CCOC(=O)CN1C2=C(C=CC(=C2)C)OC1=O 1 2.088 1 4 -4.81115545979394 2056741 CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NN=C3N2C=CC=C3 1 2.404 4 2 -19.8381675745671 2056737 CCCNC(=O)CN1C2=C(CCCC2)C(=N1)C(F)(F)F 1 3.166 3 1 -15.1251194744194 2056722 CC1=NC2=CC=CC=C2N3C1=C4C(=C3C5=CC=CC=C5)C(=O)N(C(=O)N4C)C 1 3.516 4 2 -5.95662715238735 2056714 CCNC1=NC(=NC(=N1)SCCOC2=CC=C(C=C2)Br)N(C)C 1 3.658 5 1 -5.59246392440679 2056713 CCNC1=NC(=NC(=N1)SCCOC2=CC=CC=C2)N(C)C 1 2.909 5 1 -6.44603688186098 2056711 CC1=CC(=NC(=N1)N)SCCOC2=CC=C(C=C2)Br 1 3.569 3 1 -1.10311958107033 2056626 CC1=C(C(=O)N=C(N1)SCC2=NC(=O)C3=CC=CC=C3N2)CC=C 1 2.451 4 2 -14.3102141018891 2056604 C1CCC(CC1)NC(=O)N2CCN(CC2)CC(=O)N 1 0.245 4 2 0 -11.3811927407864 2056598 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Br 1 3.221 4 4 0 -8.16894157027804 2056597 CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC 1 3.415 3 3 -20.2377970243003 2056596 CCN1C(=C(C=N1)Br)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)N 1 2.368 4 2 -11.669595788635 2056595 CCN1C=C(C(=N1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC)Br 1 3.412 3 3 -14.7698412861264 2056594 C1=C(OC(=C1)C(=O)O)COC2=C(C(=CC(=C2F)F)F)F 1 3.322 0 4 -4.25412957574095 2056592 COC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)Cl 1 3.39 0 4 -2.74714877393049 2056591 COC(=O)C1=CC=C(O1)COC2=CC3=C(CCC3)C=C2 1 3.782 0 4 -6.79487904551713 2056590 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3CCCCC3)C)Br 1 3.779 3 2 -8.88223785732159 2056589 CC1=CC(=NO1)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C 1 2.636 4 3 0 -15.0193662943053 2056588 C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Br)C#N 1 5.03 4 2 -18.3874914787836 2056580 C1CCCCCC2(CCCCC1)OC[C@H](O2)CNCCN 1 2.768 2 2 3.6016506653718 2056575 COC1=C(C=C2C(=C1)CCN3C2=C(CCC3=NC(=O)C4=CC=C(C=C4)Cl)C#N)OC 1 3.908 3 3 -10.4711831292564 2056566 CCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)O 1 4.866 2 3 -9.74961229713896 2056478 CC1=C(N=C(N1)SCC(=O)NC2=NN=C(S2)C)CCSC 1 1.329 5 1 0 -14.5431696611231 2056468 COC1=C(C=C(C=C1)Cl)N2CC3=CC=CC=C3C2 1 3.977 1 1 2.18430493886636 2056467 CCOC1=CC=CC=C1N2CC3=CC=CC=C3C2 1 3.661 1 1 -1.66410689859632 2056466 CCCCN1C(=CC=C1C2=CC=CS2)CCC(=O)O 1 4.212 1 2 -12.5186442205113 2056446 CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=CO3)C 1 2.284 2 3 -11.8948209176279 2056445 CC(C)C1=CC=C(C=C1)OCCCN2CCCC2 1 3.669 1 1 4.23538231163423 2056435 COC1=CC(=CC=C1)OCCCCCCN2CCOCC2 1 3.178 1 3 -0.42525132827757 2056430 CC1=CC=C(C=C1)OCCCC2=C(NN=C2C)C 1 3.532 2 1 1.56914439240631 2056429 C1=CC2=C(C=C1Cl)NC(=S)N2 1 3.201 2 0 -3.91790034638593 2056423 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C4=CC=CC=C4C(=O)C3=O 1 0.605 4 4 0 -11.3394312593972 2056403 CC(=O)OCCNC(=O)C1=CC2=CC=CC=C2OC1=O 1 0.907 1 5 0 -16.1741545375373 2056397 C=CCNC1=NC(=NC(=N1)NC2CCCCC2)Cl 1 2.99 5 0 -8.01703686806039 2056395 CCCCC1=CC=C(C=C1)NC(=O)CC(=O)C 1 2.716 1 2 -5.79639319158632 2056379 C1CCN2C(=C(C3=C2C(=O)N=CN3)C#N)C1 1 1.077 4 1 0 -8.07095028802056 2056368 CCCCCCP(=O)(C1=CC=CC=C1)O 1 3.427 0 2 -4.69312510949439 2056359 C1CCC(CC1)N(C2CCCCC2)C(=O)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4 1 5.752 2 2 -11.5492390478025 2056354 CCCCCC(=O)C1=C(NC(=C1C)C(=O)OCC)C 1 3.826 1 3 -10.3681368083733 2056337 CCCCP(=O)(C1=CC=CC=C1)O 1 2.515 0 2 -4.63587499195803 2056291 C=CCCCOC1=CC=C(C=C1)C(=O)O 1 2.837 0 3 -4.63113823435701 2056274 CCCCSC1=NC2=C(CCC2)C=C1C#N 1 4.031 2 0 -11.0229550440597 2056201 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3C=CC(=N3)C 1 3.154 2 3 -8.64663010919757 2056178 C1COC2=C(O1)C=CC(=C2)CSC3=NN=C4N3C5=CC=CC=C5C=C4 1 4.394 3 2 -12.1780356578921 2056177 C1OC2=C(O1)C=C(C=C2)CSC3=NN=C4N3C5=CC=CC=C5C=C4 1 4.376 3 2 -10.7327345043236 2056174 C1COC2=C(O1)C=CC(=C2)CSC3=NN=C4N3C=CC=C4 1 3.057 3 2 -13.4195288139868 2056145 CN1CCN(CC1)C(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 2.934 2 2 -3.38196358833914 2056126 CC(C)(C)C1=CC(=NC(=N1)SCCCNC(=O)C2=CC=CO2)C(F)(F)F 1 4.628 3 2 -10.9762188255107 2056113 CCOC(=O)C1CCN(CC1)CC2=CC(=C(C=C2)O)OC 1 2.321 1 4 0.326668019015072 2056099 CCOC(=O)C1CCN(CC1)CC2=C(C=C(C=C2)F)F 1 2.99 1 2 -0.447794457582435 2056064 CC(=O)NC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2 1 2.202 2 2 -7.00933133970372 2056061 CCCC(=O)C1=C(C=C(OC1=O)C)NCC=C 1 1.502 1 3 0 -16.0764574163264 2056050 CCOC(=O)CN(C1=CC=CC=C1C)C(=O)C2=CC=CC=C2 1 3.362 1 3 -13.3158724284673 2056033 CCCCC(=O)NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.648 3 5 0 -17.0168320270915 2056026 C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.279 2 4 -8.05084398755098 2056025 CC(=O)C1=C(N=C(S1)NC(=O)C2=C(C=CC=C2F)F)C3=CC=CC=C3 1 4.001 2 2 -5.55725732447545 2056018 C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=CC=C3F 1 3.89 3 0 -1.30900030473379 2056016 C=CCN1C(=NNC1=S)C2=CC=CC=C2F 1 2.924 3 0 -7.21894526896934 2056015 CC1=CC(=O)N=C(N1)N=C(N)NC2=CC3=C(C=C2)OCCO3 1 0.313 5 3 0 -15.3677509873391 2055996 CC1=C(C(=NN1)C)CCCCOC2=CC=CC=C2F 1 3.708 2 1 1.31440393123206 2055975 CC1=NC2=CC(=NN2C(=C1)N)C3=CC=CC=C3 1 2.125 4 0 -2.00508726630234 2055974 COCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 0.947 4 6 0 -16.1404465332692 2055973 COCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC 1 0.835 4 6 0 -16.3366641473976 2055944 CC1=CC=C(C=C1)C(=O)C2=CC(=CN=C2)Br 1 3.318 1 1 -1.73455632294129 2055927 C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-] 1 2.901 5 4 0 -14.570859359789 2055896 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)O 1 4.358 1 3 -8.15018819638131 2055860 CCN(CC)C1=CC(=NC=N1)OC2=CC=CC=C2 1 3.549 3 1 -1.53722473146016 2055857 COC1=C(C=C(C=C1)C2=COC3=C2C=C4C5=CC=CC=C5C(=O)OC4=C3)F 1 4.961 0 4 0.440312534920519 2055854 C1=COC(=C1)CNC(=O)NC2=CC3=NSN=C3C=C2 1 1.839 4 2 0 -3.94275832929425 2055853 C1=CC(=CC(=C1)O)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O 1 5.013 1 3 -1.33322417868602 2055851 C1=CC(=CC=C1C(=O)CCC(=O)CCC(=O)O)Cl 1 2.025 0 4 -2.58992063020194 2055845 CN1C2=C(C=C(C=C2)S(=O)(=O)O)N(C1=O)C 1 0.437 2 4 0 -12.3972568854647 2055822 COC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C(F)(F)F 1 2.864 1 3 -10.3008574149107 2055808 CN1C(=O)C=CC(=N1)OCCOC2=CC=CC=C2 1 1.736 2 3 0 -4.5641614395441 2055795 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCOCCOC(=O)C3=CC=C(C=C3)F 1 2.198 2 5 0 -10.4953736928386 2055789 CCCOC(=O)COC1=CC(=CC2=C1C3=C(CCC3)C(=O)O2)C 1 3.926 0 5 -13.9422081952264 2055784 CC1=C(C=C(O1)C(=O)O)COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3 1 3.614 0 6 -12.1241091105152 2055782 CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=C(OC(=C3)C(=O)O)C 1 3.083 0 6 -8.06201517068432 2055778 COC(=O)C1=CC=C(O1)COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3 1 3.772 0 6 -13.586183656498 2055777 CC(=C)COC1=C(C2=C(C=C1)C3=C(CCC3)C(=O)O2)OCC(=C)C 1 4.97 0 4 -11.8135535028637 2055776 CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)C)Br)OCC=C 1 4.564 1 4 -20.1324154930442 2055766 COC1=C(C=C(C=C1)CCNCC2=CC=NC=C2)OC 1 2.088 2 2 -2.52677737598888 2055748 CSC1=N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)S1 1 3.176 1 3 -9.82966338761574 2055744 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=CC=CC=C3 1 3.832 2 2 -12.0440717678937 2055740 CC1=CC(=NN1C/C=C/CN2C(=CC(=N2)C)C)C 1 2.102 4 0 -4.9992017770571 2055738 C=CCN1C(=NNC1=S)C2CC2 1 1.812 3 0 0 -9.00178249295546 2055736 COCCN1C=C(C(C(=C1)C(=O)OC)C2=CC(=C(C=C2)OC)OC)C(=O)OC 1 1.216 1 7 0 -16.1055795513173 2055735 CC(C)NC(=O)C(=O)NCCCN1CCOCC1 1 -0.658 3 3 0 -18.0951189483421 2055729 CC1=CC=C(N1C2=C(C3=C(S2)CCCC3)C(=O)O)C 1 3.796 1 2 -9.94782459523643 2055719 COC(=O)C1=C(C(=C(C(=C1F)F)NCCO)F)F 1 1.776 1 3 0 -6.09715879868263 2055696 COCCCNC1=C(N=C(O1)C2=CC=CC=C2F)C#N 1 2.03 3 2 -4.00532165503181 2055679 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C 1 1.233 5 5 0 -9.83829120221563 2055675 C1=CC=C2C=C(C=CC2=C1)OCC3=NC4=CC=CC=C4N3 1 4.014 2 1 4.3246203873853 2055623 CCCOC(=O)CSC1=NN=C(O1)C2=CC(=C(C(=C2)OC)OC)OC 1 2.743 2 6 0 -15.3378403801852 2055620 CCOC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3O2 1 4.403 1 3 -0.89791703873094 2055615 CCOC(=O)C(=O)C1=C(C=C2N1C=CC=C2)C 1 2.53 1 3 -4.58401349428649 2055602 C1COCCN1CCCNC(=O)/C=C/C2=CC=CO2 1 0.789 2 3 0 -9.65684585798212 2055598 CCCCOC1=CC=C(C=C1)CN2CCSCC2 1 3.648 1 1 1.54679029230376 2055594 C/C(=C\C1=CC=CC=C1)/CN2CCN(CC2)C3=CC=CC=C3F 1 4.652 2 0 2.98448771900441 2055532 CCC1=C(C=C2C(=C1)C3=C(CCCC3)C(=O)O2)OC 1 4.259 0 3 -7.95076490955549 2055528 CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC(=O)OCC=C 1 3.67 0 5 -18.3926029332012 2055522 CCCCOC1=CC=C(C=C1)CN2CCC(CC2)O 1 2.648 1 2 2.64304680830506 2055478 CCOC(=O)N1CCN(CC1)CC2=C(C=CC=C2F)F 1 2.523 2 2 -3.14897542427524 2055451 C1CCN(C1)C2=NC(=NC(=N2)NCCO)NC3=CC=C(C=C3)Cl 1 1.886 6 1 0 3.07578242240877 2055443 CCCCC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3 1 3.849 3 1 6.67863060059416 2055431 C1=CC=C(C=C1)CN2C3=CC=CC=C3N4C2=NC(=O)C(=N4)CCC(=O)O 1 2.51 4 3 0 -13.3032482113951 2055404 C1=CC=C(C=C1)NC(=S)NCCSCC2=CC=C(C=C2)Cl 1 5.374 2 0 -8.01368647704989 2055391 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3 1 4.164 3 0 -2.66917253283812 2055379 CC1=C(/C(=C/C2=CC=CS2)/C(=O)N1C)C(=O)OC 1 1.643 1 3 0 -8.0708042295321 2055374 C=CCNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.477 4 2 -6.83843556478559 2055363 CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)N 1 3.462 5 0 -12.3296193476452 2055301 COC(=O)C1=CC=C(C=C1)OC2=C(C(=NC(=C2F)F)N3CCOCC3)F 1 2.861 2 4 -0.268695892217423 2055223 C1COCCN1C(=O)CN2C=C(C3=C2C=CC(=C3)Br)C(=O)C(F)(F)F 1 2.859 2 3 -11.8691154243571 2055188 CC(C)N(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)C3=CC=C(O3)Br 1 3.1 3 3 -2.85447343791265 2055175 CC1=CC=C(C=C1)CNCC2=CC3=C(C=C2)OCO3 1 3.205 1 2 0.613755155226471 2055149 CC1=CC(=CC=C1)CSC2=NC(=O)C3=C(N2)CCC3 1 3.636 2 1 -14.105803917418 2055113 CC1=NC(=C(C(=C1)COC)C#N)SCC2=CC=C(C=C2)Cl 1 3.973 2 1 -7.91954664638816 2055089 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CC5=C(C=C4)N=CC=C5 1 3.533 2 2 -1.85778392615818 2055082 CC1=CC(=NO1)NC(=O)C2=CC3=C(C=C2)OCCO3 1 1.539 2 4 0 -16.8255436108972 2055076 C1=CC=C2C(=C1)C(=O)C=C(O2)C3=C(C(=C(C(=C3F)F)F)F)F 1 4.164 0 2 1.7889549111992 2055070 CCOC(=O)COC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2 1 3.372 0 5 -16.3724058163396 2055052 COC1=C(C=C(C(=C1)CNCCC2=CC3=C(C=C2)OCO3)Br)OC 1 3.756 1 4 -0.189762557867676 2055031 C1=CC=C(C(=C1)NC(=O)CSC2=CC=CC=N2)F 1 2.602 2 1 -11.2449446792459 2055026 CC1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3O2 1 1.81 4 2 0 -13.8960326034255 2055020 CCCCCOC(=O)CSC1=NC(=O)C(=NN1)C2=CC=CC=C2 1 3.717 3 3 -15.1456652573944 2055004 C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)CCCO 1 4.078 1 1 2.40595998638088 2054987 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC(=O)C4=CC=CO4 1 2.984 2 4 -2.63677278316351 2054984 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 2.212 4 4 0 -9.12820073825945 2054978 CCN(CC)C1=CC=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2 1 4.817 3 0 0.14039530747569 2054976 CC1=C(C2=C(N1C3=CC=CC=C3Br)C=CC(=C2)O)C(=O)C 1 4.297 1 2 -0.572571708244021 2054953 CN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.764 2 4 -10.8450323380304 2054913 COC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)Br 1 4.41 3 1 -2.24228338018168 2054899 CC1=NC(=CS1)CC(=O)C2=C(C=C(C=C2)O)O 1 1.929 1 3 0 2.60493402919369 2054895 C1=CC2=C(C(=O)N=C2C=C1)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.102 3 3 -4.42588062390693 2054877 CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 1 3.176 1 3 -14.9380849951091 2054813 C1CCC(CC1)NC2=NN=NN2C3CCCCC3 1 2.734 5 0 -20.4769525080176 2054808 C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2C(=O)O 1 2.251 1 3 -10.3040917086845 2054805 C1=CC(=CC=C1C(=O)NCCCCCC(=O)O)Br 1 2.749 1 3 -14.3809493122412 2054803 COC1=CC=C(C=C1)C2=CC(=O)N(N2)CCC#N 1 0.633 3 2 0 -1.22138504011946 2054802 C1=CC=C(C=C1)C2=CC(=O)N(N2)CCC#N 1 0.649 3 1 0 -1.28293524729052 2054793 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC 1 0.431 1 5 0 -18.4861798922241 2054776 CCCCC1=CC=C(C=C1)S(=O)(=O)N 1 2.389 1 2 -5.176914862005 2054769 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)NC3=CC=CC=C3OC 1 2.89 3 3 -18.8469128398343 2054748 CCCSC1=NC(=O)C(=NN1)C2=CC=CC=C2N 1 2.351 4 1 -12.4887784247695 2054727 C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC(=C(C=C3)O)O)/SC2=S 1 4.146 1 3 0.340352450845921 2054716 CC1(CC(CC(N1)(C)C)NC(=O)C(=O)NCCC2=CC=C(C=C2)Cl)C 1 2.036 3 2 -15.3864665129262 2054706 C1=CC=C(C=C1)CN2C(=O)C(=NN3C2=NC4=CC=CC=C43)CCC(=O)O 1 2.78 4 3 0 -8.6984756906955 2054679 CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C 1 2.216 2 3 -14.3649514387573 2054645 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(C=C(C=C3)C)C 1 5.052 2 3 -3.60106303008864 2054625 C1COCCN1/C=C(/C#N)\C2=CC=CC=C2 1 1.365 2 1 0 -7.82934181885828 2054601 C=CCOC(=O)CCC(=O)NC1=CC=CC2=CC=CC=C21 1 2.546 1 3 -17.3241041554647 2054582 C=CCNC(=O)C1=CC(=CC=C1)Br 1 2.403 1 1 -10.3933296292948 2054569 CC(=O)C1=COC2=C1C=C(C3=CC=CC=C32)O 1 2.539 0 3 -1.71750465487205 2054543 CCN(CC)CCNC(=O)NC1CCCCC1 1 2.064 3 1 -10.8886230985121 2054517 CCOC(=O)/C(=C/NC(=O)NC(C)(C)C)/C#N 1 0.344 3 3 0 -12.7260575786066 2054449 CCCCNC(=O)C1=CC2=CC=CC=C2S1 1 3.52 1 1 -3.92532676629553 2054452 C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3C(=O)C2=O 1 2.132 1 3 -0.603154441721713 2054475 CC(=O)C1=CC2=C(C=C(C=C2)OC)OC1=O 1 1.573 0 4 0 -9.20974419552495 2054464 CC1=CC=CC=C1N2C(=NN=N2)C3=CC=CC=C3 1 3.128 4 0 -8.0287303571468 2054444 CCN1C(=NC2=C1C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C)C 1 3.134 3 2 -2.74061664372999 2054430 CN(CCCC(=O)NC1=NC=CS1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.814 3 3 0 -12.3017024847218 2054334 CC1=C(C(=O)C2=C(N1)C=CC(=C2)Br)CN3CCCCCC3 1 3.882 2 1 -2.7483248509199 2054316 CC(C)N(CCO)CC#CCC1(C2=CC=CC=C2C3=CC=CC=C31)O 1 3.619 1 2 -2.00378564168598 2054310 C1CC2=C(C=C(C(=O)N2C3=CC=CC=C3)C(=O)NC4=CC=CC=C4)C(=O)C1 1 2.77 2 3 -16.3685311241722 2054274 CC1=CC(=NC2=NC(=NN12)CCCCC3=NN4C(=CC(=NC4=N3)C)C)C 1 2.485 8 0 0 -7.07748183574712 2054264 CCC1=C2C=CC=CC2=NN1C3=CC=CC=C3C(=O)C(=O)C 1 3.821 2 2 -1.8568666836321 2054216 CCCCCCCC1=C(C(=S)NC(=C1C#N)N)C#N 1 3.411 4 0 -5.42301212017511 2054211 CCOC(=O)CSC1=C(C(=CC(=O)N1)C)C#N 1 1.24 2 3 0 -18.2284036591118 2054164 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3Cl 1 2.28 4 2 -14.2052439635188 2054034 CCOC1=CC=CC=C1NC(=O)CSC2=NN3CCCC(=O)N=C3S2 1 3.091 4 3 0 -19.2805355156328 2054032 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN3CCCC(=O)N=C3S2 1 2.726 4 4 0 -17.6168804447117 2054028 C1CC(=O)N=C2N(C1)N=C(S2)SCC(=O)NC3=CC(=CC=C3)F 1 2.964 4 2 -13.1645643535671 2054027 C1CC(=O)N=C2N(C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)Cl 1 3.423 4 2 -13.1335713286107 2054026 C1CC(=O)N=C2N(C1)N=C(S2)SCC(=O)NC3=C(C=C(C=C3)F)F 1 3.169 4 2 -14.6455023810398 2054025 COC(=O)C1=CC=C(O1)CSC2=NC=NC3=C2OC4=CC=CC=C43 1 3.976 2 4 -3.87776104644008 2054021 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)NC4=NC=CS4 1 2.697 4 2 -6.56520031226999 2054020 C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)NC4=NC5=CC=CC=C5S4 1 4.325 4 2 -2.49439083870817 2054017 CCC1=NN=C(S1)NC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43 1 3.102 5 2 0 -12.8517099112526 2054005 C1COCCN1C2=NSN=C2OCC(=O)NC3=CC=C(C=C3)Cl 1 1.785 4 3 0 -4.8109539982117 2054003 CCCCN1C(=O)C2=CC=CC=C2C3=CC=CC=C3C1=O 1 3.709 1 2 -3.58226449029882 2053989 CCN(C1=CC(=C(C=C1)C)C)C(=O)C2=CC3=C(S2)N=C4C(=CC=CN4C3=O)C 1 4.173 3 2 -16.2543793712402 2053979 CCN(C1CCCCC1)C(=O)C2=CC3=C(S2)N=C4C(=CC=CN4C3=O)C 1 3.482 3 2 -14.9442801925368 2053966 CC1=CC=CN2C1=NC3=C(C2=O)C=C(S3)C(=O)NC4CCCCC4 1 2.928 3 2 -18.3007570982183 2053958 CC1=CC=CN2C1=NC3=C(C2=O)C=C(S3)C(=O)N(C)C4=CC=CC=C4 1 2.852 3 2 -13.1364635093374 2053951 C1=CC=C(C(=C1)NC(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O)Cl 1 2.864 3 2 -14.2601821549982 2053947 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC4=C(S3)N=C5C=CC=CN5C4=O 1 3.123 4 2 -8.15666457320039 2053933 C1CC2=C(C=C(C(=O)N2C3=CC=CC=C3)C(=O)O)C(=O)C1 1 1.615 1 4 0 -13.9433907818206 2053898 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=CC=CO2 1 2.8 1 5 -15.5851875422214 2053897 CN1CCN(CC1)C(=O)/C=C\C2=CC=C(C=C2)Cl 1 2.333 2 1 -0.212809847026804 2053885 CC(C)(C)NCCCCOC1=CC=C(C=C1)F 1 3.195 1 1 -1.76484444211035 2053883 C1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl 1 3.873 2 3 -3.17371857814466 2053858 CC(C)NC(=O)C(=O)NCC1=CC=CC=N1 1 0.102 3 2 0 -16.6417115269196 2053815 C1COCCN1CCOC2=CC=C(C=C2)Br 1 2.388 1 2 1.11148506209833 2053794 C1CN(CCC1C(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3 1 2.195 2 3 -9.06652054491561 2053792 C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.289 2 4 -9.52759628954356 2053788 C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.809 2 4 0 -6.23059750471183 2053786 CCOC1=CC=CC=C1NS(=O)(=O)C2=CC=CS2 1 2.436 1 3 -7.10150759185357 2053745 CC1=CC(=NN1CC(=O)NC2=CC=CC=C2)C 1 1.544 3 1 0 -12.5843356019187 2053734 C1=CC2=C(C(=C1)O)C(=CN2)CC(=O)N 1 0.918 2 2 0 1.32513489714742 2053713 CC(=CCC(C)(C)CN(C1=CC=CC=C1)C(=O)C)C 1 3.992 1 1 -5.90669766553726 2053712 CC(=O)NCCSCCNC(=O)C 1 -0.821 2 2 0 -6.95557865671698 2053700 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CCCO 1 4.085 1 1 -2.27040525425808 2053671 CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)O 1 4.567 1 2 -4.35308030873971 2053661 CC1=CC=C(C=C1)NC2(CCCCC2)P(=O)(OC)OC 1 2.928 1 3 -2.22179710761066 2053611 C=CCNC1=NC(=NC(=N1)NCC2=CC=CO2)Cl 1 1.897 5 1 0 -6.48925250464326 2053602 CC1=CC2=C(C=C1)N=C(N2)NCCCO 1 1.232 3 1 0 4.7760522195092 2053597 COC1=C(C=C(C=C1)CCNC(=O)C(=O)NCC2=CC=C(C=C2)Cl)OC 1 2.847 2 4 -12.1903107888488 2053518 C=CCOC1=CC=CC=C1CN2CCC(CC2)CC3=CC=CC=C3 1 5.161 1 1 -4.77000529465521e-003 2053516 CCN(CC)CCN(CC)CC1=CC=CC=C1Br 1 3.837 2 0 0.859830587568713 2053510 C1=CC(=CC=C1COC2=C(C(=CC(=C2F)F)F)F)C(=O)NC3=NC=CS3 1 4.001 2 2 -6.09587173853673 2053504 CN(C)C(=O)C1=CC(=C(C=C1N2CCCC2)Cl)S(=O)(=O)N(C)C 1 1.648 3 3 0 -5.56942504015032 2053489 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NC(=NO4)C5=CN=CC=C5 1 4.127 4 1 3.02727028460135 2053484 COC1=CC=CC(=C1)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3 1 2.448 4 2 0.407088046698496 2053253 C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O 1 2.893 2 5 0 -12.4564966608966 2053249 CCC1=CC2=C(S1)N=C(OC2=O)C3=CC=C(C=C3)Br 1 4.488 1 2 -5.72909482939593 2053215 C=CCNS(=O)(=O)C1=C(C=CS1)C=NO 1 0.971 2 3 0 -3.95106199654121 2053134 CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC(=O)NC4=NC=CS4 1 3.558 3 3 -10.8717482478407 2053121 C1COCCN1C(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)F 1 2.597 2 4 -11.343439426364 2053119 C1CCN(CC1)C(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)F 1 3.827 2 3 -9.77514297658839 2053114 C1COCCN1C(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F 1 2.597 2 4 -10.7334650657845 2053110 C1CCN(CC1)C(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F 1 3.827 2 3 -9.16516861600888 2053108 CCN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC 1 4.214 2 5 0 -20.653570885386 2053104 CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.277 2 5 0 -11.1056122291604 2053102 CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)N3CCCC4=CC=CC=C43 1 3.228 2 3 -10.7255134233647 2053100 C1COC2=C(O1)C=CC(=C2)NC(=O)CS(=O)(=O)C3=CNC4=CC=CC=C43 1 2.071 2 5 0 -11.1484701493599 2053096 C1CC2=CC=CC=C2N(C1)C(=O)CS(=O)(=O)C3=CNC4=CC=CC=C43 1 3.022 2 3 -10.7683713435642 2053031 CSC1=C(N=C(O1)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Br 1 4.104 1 4 -5.17771542161258 2053030 C1=COC(=C1)C2=NC(=C(O2)SCC(=O)N)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.957 2 5 0 -10.7487230801617 2053022 C1=COC(=C1)C2=NC(=C(O2)SCC(=O)N)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.873 2 5 0 -9.29206333506029 2053017 CC(C)SC1=C(N=C(O1)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F 1 4.287 1 4 -5.98354286565697 2053015 C1=COC(=C1)C2=NC(=C(O2)SCC(=O)N)S(=O)(=O)C3=CC=C(C=C3)F 1 2.414 2 5 0 -10.4021850001819 2053010 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CO3)SC(C)C 1 4.568 1 4 -6.69541989112222 2053009 CCCSC1=C(N=C(O1)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)C 1 4.714 1 4 -8.6476642727843 2053008 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CO3)SCC(=O)N 1 2.695 2 5 0 -11.1140620256471 2052999 CCCCSC1=C(N=C(O1)C2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 4.684 1 4 -8.98795510771502 2052988 CCSC1=C(N=C(O1)C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3 1 4.262 1 3 -9.94105497820095 2052984 C1CCC(CC1)NC(=O)CSC2=C(N=C(O2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4 1 4.831 2 4 -18.7130552762539 2052978 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=C(C=C3)F)SCC(=O)N 1 3.506 2 4 -6.84653308783663 2052973 CC1=CC=C(C=C1)C2=NC(=C(O2)SCC(=O)N)S(=O)(=O)C3=CC=C(C=C3)C 1 3.786 2 4 -8.38472905551943 2052962 C1=CC=C2C(=C1)NC(=N2)CCCNC(=O)C3=CC=CS3 1 2.853 3 1 -10.2774592845456 2052933 COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCCC3)C#N 1 1.486 4 2 0 -6.95115161414964 2052923 C1=CC=C2C(=C1)C(=CN2)SCCNC(=O)C3=C(C=CC=C3F)F 1 3.933 2 1 -6.95590969946147 2052868 C1CCN(C1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Cl)SCC3 1 2.92 3 2 -16.3107384917736 2052854 C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)F)SCC(=O)NCC4=CC=CO4 1 2.559 3 3 -22.463354252917 2052845 CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC4=CC=C(O4)C(=O)OC 1 3.773 2 5 0 -18.0891976141639 2052844 CCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OCC)SCC2 1 3.733 2 2 -13.8830102759873 2052841 COC1=CC=CC=C1N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5 1 2.917 3 5 0 -20.9312375087643 2052840 CC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC4=CC=C(O4)C(=O)OC 1 3.927 2 4 -16.9810512019468 2052836 CC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)N4CCCC4 1 2.741 3 2 -18.1327371823604 2052819 COCCN1C=C(C(C(=C1)C(=O)OC)C2=CC3=C(C=C2Br)OCO3)C(=O)OC 1 1.766 1 7 0 -11.2780547230616 2052813 COCCN1C=C(C(C(=C1)C(=O)OC)C2=CC3=C(C=C2)OCO3)C(=O)OC 1 1.017 1 7 0 -13.9116542631108 2052803 CCN(CC)CCN1C(=O)C2=C3C(=CC=C2)C4=CC=CC=C4C3=N1 1 3.228 3 1 -7.85167333038063 2052768 COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCOCC3)C(F)(F)F 1 3.103 3 2 6.83037600569538 2052765 COC1=CC=C(C=C1)C2=CC(=NC(=N2)NCC3=CC=CS3)C(F)(F)F 1 4.533 3 1 2.34819921541084 2052763 C1=CSC(=C1)CNC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F 1 4.755 3 0 3.19426878395739 2052755 CC1=CC(=C(C=C1)C)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)N4CCCC4 1 3.815 2 2 -9.21061769993261 2052640 CC1=C(N=CC(=C1)C2=CC=C(S2)C(=O)O)N 1 2.351 2 2 -1.69603127786189 2052633 C1=CC(=NC=C1C2=CC=C(S2)C(=O)O)N 1 1.864 2 2 0 -2.52979459329273 2052604 COCCN1C=C(C(C(=C1)C(=O)OC)C2=CC=C(C=C2)Cl)C(=O)OC 1 1.914 1 5 0 -8.89299006851426 2052597 CCN1C(=O)CSC1=NC2=CC=C(C=C2)C(=O)O 1 2.066 2 3 -8.21471721882721 2052594 CCN1C(=O)CSC1=NC2=CC=CC(=C2)C(=O)O 1 2.066 2 3 -7.4930777223693 2052070 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCC3=CC=CS3 1 0.948 2 4 0 -11.4280971302622 2052050 C1CN(CCN1)CCC#N 1 -0.28 3 0 0 -6.99624846477121 2051863 C1CCCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)F 1 2.428 5 2 0 -9.55221872889043 2051860 C1COCCN1C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)F 1 0.743 5 3 0 -11.120515178666 2051855 C1CCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)F 1 1.972 5 2 0 -9.55221872889043 2051438 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CS3 1 2.841 1 2 -12.6644740023801 2051278 CC1=NN=C(O1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 1.281 4 4 0 -22.1553031029839 2051259 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)CSC 1 0.389 4 4 0 -15.4356819127513 2051227 COCC1=NN=C(O1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 0.105 4 5 0 -22.9883259420039 2051224 CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)COC 1 1.503 4 5 0 -12.4467111744027 2051214 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4CC4 1 2.249 4 4 0 -10.9258296100384 2051211 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4CC4 1 2.598 4 4 0 -15.5361095056566 2051205 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NN=C(O4)C5CC5 1 2.773 4 4 0 -21.0401363914406 2051169 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4CC4 1 1.835 4 4 0 -23.1831828630642 2051160 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4CC4 1 1.583 4 4 0 -20.3918088012693 2051141 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4CC4 1 2.242 4 4 0 -12.8491821295559 2049127 CCOC1=CC2=C(C=C1C(C)(C)C)NC(=O)CS2 1 2.911 1 2 -8.49811930972222 2049083 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)O 1 3.64 2 6 0 -14.4755834734798 2049031 CCC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O 1 4.504 2 4 -14.7030544498842 2049028 CCC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC(=C3)C(=O)O 1 4.504 2 4 -14.6434491545456 2049024 C1=CSC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=C(C=C3)C(=O)O)O 1 3.273 2 5 0 -13.6571267301197 2048936 CC1=CC=C(S1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC(=CC=C4)OC 1 2.899 8 3 0 -20.4783760756936 2048910 CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/C3=C(C(=CC=C3)OC)OC)/SC2=S 1 4.037 2 5 0 -7.44820316705264 2048896 CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/C(=C/C3=CC=CC=C3)/C)/SC2=S 1 4.984 2 3 -8.40462666587826 2048768 CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=C/C(=C/C3=CC=CO3)/C 1 2.477 8 3 0 -25.2542347748115 2048744 C1CCC(CC1)NC2=CC(=O)OC3=CC=CC=C32 1 2.993 1 2 -3.98442947841446 2048664 COC1=CC=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4 1 2.753 8 3 0 -25.491455171008 2048611 COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4)OC 1 3.777 4 4 0 -17.5215004082965 2048505 CC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CC4=CC=CO4 1 2.792 3 2 -1.29646298544154 2048402 COC1=C(C=C(C=C1)CNCCCO)OC 1 0.857 1 3 0 -2.0869059172179 2048342 COC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=NC=C4 1 1.649 9 3 0 -22.4633042892884 2048271 CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=C/C(=C/C3=CC=CC=C3)/C 1 3.082 8 2 0 -25.8338294611651 2048162 C1=CC=C(C=C1)/C=C/CSC2=NC3=NC=C(C=C3N2)Br 1 4.273 3 0 -0.472835878556046 2048153 C1=CC=C(C=C1)C(=O)C2=[N+](C3=CC=CC=C3N=C2COC(=O)C4=CC=CS4)[O-] 1 3.89 2 4 -4.96070790768881 2048125 CCOC(=O)C1=CN=C(N=C1NCCO)N2C(=CC(=N2)C)C 1 0.767 5 3 0 -6.77749795411314 2048117 CN1C=C(C2=CC=CC=C21)C(=O)NN=CC3=CC(=CS3)Br 1 3.884 3 1 -0.388814471031136 2048070 CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=NC=C(C=C3N2)Br)C 1 3.831 4 1 -9.17874449988628 2048059 COC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4 1 3.384 5 2 0 -12.9949634731928 2048049 CCCCC1(OC(=O)C(=CC2=CNC3=CC=CC=C32)C(=O)O1)C 1 3.745 1 4 2.50564103446268 2048018 CCC1=C[N+](=CC=C1)C2=C(SC(=N2)[O-])C=NNC(=O)N 1 1.815 5 2 0 -12.0482398212512 2047964 C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/C3=CC(=CC=C3)F)/SC2=S 1 3.789 2 3 -5.86347794999158 2047913 C1=CC=C(C=C1)CCN2C(=O)/C(=C/C3=CC=CC=N3)/SC2=S 1 4.229 2 1 -4.93144296245088 2047876 CC1=NN2C(=NN=C2C3=C(C=CC(=C3)S(=O)(=O)N)OC)C4=CC=CC=C14 1 1.657 5 3 0 -11.7174628240492 2047727 CCOC(=O)C1=C(SC2=C1CC(SC2)(C)C)NC(=S)NC 1 3.786 2 2 -19.926971260827 2047601 C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)NN=CC5=C(C=CC=C5Cl)F 1 3.454 8 4 0 -26.7864122642995 2047598 CC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=C(C=C4)Cl 1 4.36 8 2 0 -21.1910653199376 2047549 C1=CC=C(C=C1)/C=C/CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4 1 5.225 3 1 -2.98705018026226 2047501 C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O)S(=O)(=O)N 1 1.673 3 5 0 -4.59040385991431 2047470 C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)COC4=C(C=C(C=C4)Cl)Cl 1 4.542 4 1 0.51958938389806 2047442 C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=C/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 3.62 5 3 0 1.63059898578133 2047338 CC1=C(C=C(C=C1)OC2=CC=C(C=C2)C3=NC(=NC(=N3)N)N)C 1 3.647 5 1 7.26024143426239 2047299 CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCN(CC4)C 1 3.109 4 0 -4.58426776794989 2047262 CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCNCC4 1 2.573 4 0 -10.5939143814921 2047223 C1CC2=C(C1)NC(=NC2=O)SCC3=CC=C(C=C3)Cl 1 3.814 2 1 -12.8755839084271 2047123 CC1=NN(C(=C1C(=O)NC2=CC=CC=C2OC)Cl)C3=CC=CC=C3 1 3.566 3 2 -8.66313467672759 2047114 CC1=CC=C(O1)C2=C(C(=NC3=C2CCCCC3)N)C#N 1 3.386 3 1 -1.9786526078686 2047042 CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/SC2=S 1 3.811 2 5 0 -5.54230057825161 2047038 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC=C 1 2.88 3 2 -28.3221984431785 2046949 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CCOC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C4CCCCC4 1 3.349 9 3 0 -27.1852146210038 2041109 CC1=CC=CC=C1C2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2CC5=CC=CO5 1 4.329 3 3 -1.90958586885113 2041056 C1CCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CO4)/C3=O)O 1 3.28 1 4 6.94965280535956 2041035 CN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C3=CC=CO3)C4=CC=C(C=C4)Cl 1 4.57 2 3 2.35626923072352 2040987 CC(C)C1=NN=C2N1C3=CC=CC=C3N=C2N(C)S(=O)(=O)C4=CC=CC=C4 1 3.558 5 2 0 -11.2381082332302 2040970 CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=NC=C(C=C3N2)Cl)C 1 3.747 4 1 -10.0335385867389 2040934 C1=CC=C(C=C1)C#CC2=CC=CC=C2C(=O)N 1 2.941 1 1 2.8576205012497 2040684 CC1=CC=CC=C1C(=O)NC2=C(C(=O)C3=CC=CC=C3N2C)C4=CC=CS4 1 4.95 2 2 -6.34692851830053 2040656 C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=O)S2)CCCC(=O)O 1 3.113 1 4 -10.0567694890123 2040440 CC(C)NC(=O)/C(=C\C1=CC=C(O1)N(C)C)/C#N 1 1.753 3 2 0 -19.4771247098569 2040413 CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)C3=CC=CS3 1 4.63 3 1 -7.12025553209724 2040409 COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=CC=CS3)OC 1 2.358 1 4 -15.9536516545161 2040375 CC1=C(C2=CC=CC=C2N1C)C(=O)COC3=C(C=C4C(=C3)C5=C(CCCC5)C(=O)O4)OC 1 5.201 1 5 -13.8796771280375 2040360 CN1C=CC=C1/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)F 1 3.677 3 2 -10.248453494706 2040352 C1=CC=C(C=C1)[C@@H](C(=O)O)NC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2 1 2.661 4 4 0 -35.6230202936538 2040325 CC1=NC2=C(C(=O)C3=C(O2)C=C(C=C3)OC)C(=O)N1CCC4=CC=CC=C4 1 3.123 2 4 -2.11376233642715 2040305 CC(C)(C)OC(=O)NCCCCCC(=O)NN=CC1=COC2=CC=CC=C2C1=O 1 2.545 3 5 0 -17.4098813053861 2040202 CC1=CC(=CC=C1)NC2=NC(=O)/C(=C/C3=CN(C4=CC=CC=C43)C)/S2 1 4.765 3 1 0.352274737499053 2040126 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNS(=O)(=O)C3=CC=CC=C3 1 3.377 3 4 0 -17.8960033509055 2040080 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=N5 1 3.667 5 3 0 -14.5281920303721 2039993 CC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N4C2=NN=N4 1 2.045 6 1 0 -10.7642895641692 2039982 C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=CC=C(C=C4)Cl 1 4.128 3 2 -2.2227677318425 2039909 CCC1=NC2=C(C(=O)C3=CC=CC=C3S2)C(=O)N1CC4=CC=C(C=C4)OC 1 4.027 2 3 -0.746768928017851 2039899 COCC1=CC(=O)N=C(N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 0.797 4 4 0 -7.08586587332487 2039872 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.148 4 4 0 -0.872218447504035 2039866 CN(C)CCOC1=NC=NC2=C1OC3=CC=CC=C32 1 2.644 3 2 5.83630700242604 2039849 CC(=O)C1=CC=C(C=C1)NC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC 1 2.561 3 4 0 -9.58130440778899 2039805 CC(C)OCCCNC(=S)NNC(=O)C1=CC(=C(C=C1)Cl)Cl 1 3.406 3 2 -13.6134693038764 2039782 CC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3 1 5.445 2 1 -11.2055686827874 2039735 CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)OC 1 4.033 5 1 -5.87399620069655 2039682 C1CN2C(=NC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)CN1CC5=CC=CC=C5 1 3.708 4 2 -2.1551582828555 2039654 CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=C(C=C3)F)C4CCCCC4 1 3.222 9 2 0 -25.2941482346864 2039561 CC(=C)CSC1=NC2=NC=C(C=C2N1)Cl 1 3.201 3 0 -5.31568504359105 2039423 CC(C)OC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C4CCCCC4 1 3.726 9 3 0 -27.6201835492944 2039413 CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)C#N 1 5.122 4 1 -6.19310645500088 2039371 C1=CC(=CC=C1N2C(=O)/C(=C/C3=COC4=C(C3=O)C=C(C=C4)O)/C(=O)NC2=O)Cl 1 2.587 2 6 0 3.29119284670951 2039364 CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4 1 3.826 8 4 0 -28.8719034077125 2039343 C1=CC2=C(N=C1)N=C(N2)SCC(=O)NC3=C(C=C(C=C3Br)F)F 1 3.269 4 1 -6.91115897633398 2039338 CC1=CC=CC(=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C 1 3.181 0 5 -6.54653688897565 2039284 CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CO4 1 3.068 8 4 0 -24.3010083751403 2039206 CC1=C(N=C2N=C(NN2C1=O)C3=CC=C(C=C3)Cl)C 1 1.937 4 1 0 -1.1658118153552 2039181 CCCCCCNCCN1C=NC2=C1N=CN=C2N 1 1.608 6 0 0 -4.55881151253349 2039173 COCCCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CS3)/C#N 1 1.597 4 3 0 -14.1105020234961 2039148 CC(=O)NC1=NN=C(S1)CCN2CCCCC2 1 0.856 4 1 0 -7.60947389383712 2039046 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CC4=CC=C(C=C4)OC)C5=CC=CC=C5F 1 4.85 3 3 -0.166021399078351 2039043 CC(=C1C(=O)N=C(S1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C 1 4.394 3 1 2.94492435035573 2039005 CC1=NC2=C(S1)N(C3=C2C=C(C=C3)F)CC4=CC=CC=C4 1 4.341 2 0 3.23600799609259 2038967 C1CN(CCN1C2=CC=CC=C2)C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 4.456 4 1 10.2646807739259 2038965 CCN1C=C(C2=CC=CC=C21)/C=C(/C(=O)N3CCN(CC3)C)\NC(=O)C4=CC=C(C=C4)OC 1 2.989 4 3 0 -13.8044318743832 2038867 CC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.616 3 3 -9.18005580594595 2038794 CC1=C(N=C2N=C(NN2C1=O)C3=CC=CO3)C 1 0.668 4 2 0 -2.68397060379409 2038766 CN1CCN(CC1)CCCNC(=O)C2=NN=C(O2)CC3=C(C=CC=C3Cl)F 1 1.807 5 2 0 -9.47726704819279 2038732 CC1=C(C2=NSN=C2C=C1)NC(=O)C3=C(N=CC=C3)Cl 1 2.951 4 1 -1.53266796729309 2038683 CC1=NC2=NC=NN2C(=C1)NC3=CC(=C(C(=C3)OC)OC)OC 1 2.563 5 3 0 -13.8934879844221 2038583 COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3)OC 1 4.5 3 4 0 -14.8140909262325 2038551 CN(C)C1=C(C2=NON=C2C(=C1)Cl)N 1 1.479 4 1 0 1.90376237433744 2038433 C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)NN=CC5=CC=CC=C5Cl 1 3.249 8 4 0 -23.3066753486333 2038264 COC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CN=CC=C4)N)OC 1 2.833 4 3 0 -10.5612177987209 2038224 CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Cl 1 5.142 3 4 0 -12.9991628129284 2038212 C1N(C2=NC3=CC=CC=C3N=C2N1S(=O)(=O)C4=CC=CS4)CC5=CC=C(C=C5)F 1 3.984 4 2 -6.57262324803902 2038176 C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=CC=C(C=C4)Br 1 4.212 3 2 -3.67942747694393 2038133 CN(C)CCSC1=NC=NC2=C1SC3=NC(=C4CCCC4=C23)C5=CC=CC=C5 1 5.813 4 0 -4.2279277249317 2038131 CCSC1=NC2=CC(=C(C=C2C(=O)N1CCC3=CC=CC=C3)OC)OC 1 4.457 2 3 -11.6385144975826 2038079 COC1=C(C2=CC=CC=C2C=C1C(=O)NC3=CC4=C(C=C3)NC(=O)N4)Br 1 3.118 3 3 -10.0539459939691 2037862 CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C=NC3=CC(=O)NC(=S)N3 1 1.538 3 5 0 -8.53522086749775 2037851 C1=CC=C2C(=C1)C(=O)C(=CO2)/C=C/3\C(=N)N4C=CSC4=NC3=O 1 1.33 3 3 0 -11.3904459602441 2037850 C1=CC(=CC=C1CCNC2=C(C(=NC=N2)Cl)N)O 1 2.188 4 1 4.69403928676407 2037807 COC1=CC2=C(C=C1)NC(=C2NS(=O)(=O)C3=CC=C(C=C3)F)C(=O)O 1 2.721 2 5 0 -1.99464439358832 2037799 CCCC1=NC2=C(C(=O)C3=CC=CC=C3O2)C(=O)N1C4=CC=CC=C4 1 3.934 2 3 -0.471276259223 2037760 COC(=O)CC1=CC=C(C=C1)NC(=S)NCCSC2=CC=C(C=C2)Cl 1 5.257 2 2 -11.5215549289055 2037630 CC1=CC(=NC(=N1)NC2=NNC(=N2)COC3=CC=CC4=CC=CC=C43)C 1 3 6 1 0 -2.29154760109885 2037607 CCCCSC1=NNC(=N1)N 1 1.776 4 0 0 -2.38398506677797 2037578 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(N3)C=CC=N4 1 1.596 7 3 0 -17.3118234831404 2037560 C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)N 1 1.618 5 1 0 -11.0345876495942 2037556 CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=CC=C(C=C3)OC)Cl 1 1.094 5 2 0 -3.71560981378221 2037527 CC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCOCC2 1 2.141 3 2 -15.2168756179269 2037501 COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(NC3=CC=CC=C32)C(=O)O)OC 1 2.499 2 6 0 -9.16952711137726 2037427 COC1=CC(=C(C=C1)OC)/C=C\2/C(=O)N(C(=S)S2)N3CCOCC3 1 2.416 2 4 -6.76880085864067 2037351 CC1=NC2=NC=NN2C(=C1)N3CCCC4=CC=CC=C43 1 3.349 5 0 -11.8720618552622 2037286 CC1=CC(=NN1C2=CC(=NC3=C(C=NN23)C4=CC=C(C=C4)Cl)C(C)(C)C)C 1 5.308 5 0 -3.15966387063034 2037235 CC1=CC(=NO1)NC(=O)CCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3 1 3.439 4 4 0 -16.0199370184849 2037175 COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)CCCC(=O)NC3CCCCC3 1 3.169 3 5 0 -12.7849736403952 2037164 CSC1=NSC(=N1)SCC(=O)NC2=NN=CS2 1 1.414 5 1 0 -14.2317236198342 2037119 CC1=CC(=NC(=N1)NC2=NCN(CN2CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC)C 1 3.776 6 2 0 -5.20287041802093 2037113 CCC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1CCC4=CC=C(C=C4)OC 1 3.968 3 3 -0.666395170830991 2037021 C1=CC=C(C(=C1)C(=O)NNC(=S)NC2=CC(=C(C=C2)F)Cl)Br 1 4.892 3 1 -4.79995895950757 2036947 C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=O)C=C4 1 4.431 2 4 -7.68037741034321 2036931 C1CC1C2=CC(=NN2)C3=NNC(=S)N3C4=CC(=C(C=C4)F)Cl 1 4.324 5 0 -2.46993149858195 2036928 C1=CC(=C(C(=C1)Cl)CC2=NN=C(O2)C(=O)NCCCO)F 1 1.171 3 3 0 -10.5081636598706 2036865 CN(C)CCCN1C2=C(C3=C(S2)CCCCC3)C(=O)N(C1=O)C4CCCCC4 1 4.661 3 2 -12.4751021037344 2036602 CC(C)C1=NC2=C(C(=O)C3=CC=CC=C3O2)C(=O)N1CCC4=CC=C(C=C4)OC 1 4.252 2 4 -1.14567817144833 2036568 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3CC(NC(C3)(C)C)(C)C 1 2.129 2 4 -17.4986541384667 2036493 CC1=CC(=NN1CCCC(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-] 1 2.523 5 3 0 -13.1086787707849 2036511 CC(C)(O)P(=O)(CCC1=CC=CC=C1)O 1 1.074 0 3 0 -2.13525178637016 2036508 C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=CC(=O)OC4=C3C=C(C=C4)O 1 3.7 2 3 4.01768357485955 2036464 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NNC(=O)C3=C(C=C(C=C3)Cl)Cl)Cl 1 5.503 3 3 -12.3298946587404 2036446 COCCN(CCOC)CC1=C(C=CC2=C1O/C(=C\C3=CC=CO3)/C2=O)O 1 2.101 1 6 0 5.61228418221641 2036437 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3CCN(CC3)CC4=CC=CC=C4)OC1=O 1 2.151 3 4 0 -3.2478162157682 2036384 CCC1=CC2=C(C=C1)N=C(N=C2C)NC3=NCN(CN3)CCOC 1 2.302 6 1 0 -3.04027442006773 2036330 COC1=CC(=C(C=C1)NC(=O)N[C@@H](CCSC)C(=O)OC)OC 1 1.432 2 5 0 -22.6446174494528 2036296 CCCCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3O2)C4=CC=CS4 1 4.181 2 3 -3.51187876485318 2036162 CCCCN1C2=NC3=CC=CC=C3N=C2C(=N1)C4=CC=CC=C4 1 5.047 4 0 -3.31046944010193 2036061 CCCCNC(=O)CN1C2=CC=CC=C2N(C1=O)C 1 1.493 3 2 0 -17.2399460212078 2036055 CCOC(=O)CCCSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N 1 4.921 2 4 -12.5625034953758 2036025 C1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2)C(=O)[O-])C(=O)C4=CC=C(C=C4)Cl 1 3.696 1 3 -2.14333762546209 2035993 CC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1CCC4=CC(=C(C=C4)OC)OC 1 3.285 3 4 0 -3.7911560525853 2035984 C1CC2=C(C1)N=C(N=C2SCCO)C3=CC=CC=C3 1 3.276 2 1 0.689029967435537 2035962 COCCNC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC4=CC=CO4 1 3.291 3 3 -18.4221159680087 2035919 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CC4=CC=C(C=C4)OC)C5=CC=CC=C5 1 4.644 3 3 0.209037805879594 2035866 COC(=O)CCS(=O)(=O)C1=NC(=CC(=N1)C(F)(F)F)C2=CC=CC=C2 1 3.371 2 4 -9.01080098649541 2035853 CN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C3=CC=CO3)C4=CC=CC=C4OC 1 3.89 2 4 -2.46664199310137 2035786 COC1=CC=C(C=C1)CCN2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4O3)C5=CC=CS5 1 4.74 2 4 -1.9915226394471 2035765 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCC4=CC=C(C=C4)OC)C5=CC=C(C=C5)F 1 5.171 3 3 1.7318104550544 2035723 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)N(C)C4=CC=CC=C4 1 3.694 3 2 -7.71652717513252 2035688 CN1C(=O)C(=CC2=C(N(C(=O)S2)C3=CC=CC=C3)N4CCCCC4)C(=O)N(C1=O)C 1 2.92 4 4 0 -6.06547196239437 2035623 COCCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3O2 1 1.407 4 3 0 -0.329700299788489 2035550 CC(C)C1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1CCC4=CC=CC=C4 1 4.447 3 2 -1.05483150996797 2035548 CC(C)C1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1CC4=CC=C(C=C4)OC 1 4.11 3 3 -5.91120938354377e-002 2035531 CC1=NN(C(=C(C1=O)C2=CC=CC=C2)NC(=O)C(C)C)C3=CC=C(C=C3)Cl 1 4.746 3 2 -4.32717335006075 2035523 CC1(CC2=C(CO1)C(=S)N=C(N2CCOC)C3=CC=CC=C3)C 1 2.284 2 2 -9.78410117571409 2035344 CC1CCN(CC1)CC2=CC(=O)OC3=CC4=C(CCCC4)C=C23 1 4.615 1 2 -8.18391546403921 2035307 C1=CC=C(C=C1)N2C(=O)C3=CN=C(N=C3NC2=O)SCC4=CC=CC=C4Cl 1 4.418 4 2 -10.4688415648946 2035255 CC1=CC(=C(C(=C1)C)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)COC4=CC=C(C=C4)F)C 1 4.316 8 3 0 -23.6933916547729 2035190 CC(C)(C)C1=NC2=C(C=NN2C(=C1)NCCCN(C)C)C3=CC=C(C=C3)Cl 1 4.663 5 0 -2.80039776082141 2035183 CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=COC=C3 1 0.262 9 3 0 -26.3399100235831 2035178 COC1=NSN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CN=CC=C3 1 2.527 6 4 0 -15.2726319404997 2035094 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCCC4=C2NCCCN(C)C 1 3.973 5 0 -2.6245959271287 2035062 CC(=O)NCC1=NN=C2N1N=C(C3=CC=CC=C32)C4=CC=CC=C4 1 2.029 5 1 -8.23627874593591 2035044 CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(NC3=CC=CC=C32)C(=O)O)C 1 3.504 2 4 -2.23989120764158 2035035 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N=C1CCN4CCOCC4 1 2.241 4 3 0 -1.9288786007496 2034997 CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CO4 1 2.544 8 4 0 -24.7559971591536 2034957 CN(C)CC1=C(C=CC2=C1O/C(=C\C=C\C3=CC=CC=C3OC)/C2=O)O 1 3.419 1 4 10.7965499364146 2034924 C1=CC=C(C=C1)/C=C/CSC2=NN=C(N2N)C3=CN=CC=C3 1 2.611 5 0 -4.1217381534339 2034866 CC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)CN(C)C)C 1 2.026 3 1 -7.17408543711323 2034782 CCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)OCC=C)C 1 3.812 2 2 -14.1173679805305 2034766 C1=COC(=C1)C(=O)NC2=C(C=CC3=NSN=C32)Cl 1 2.802 3 2 -1.13009491198992 2034710 COC1=CC=C(C=C1)CCNC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CO4)/C#N 1 2.996 4 4 0 -8.54838903019144 2034696 CCN1C(=O)/C(=C/C2=CC3=C(C=C2)N(CC3)CCCCl)/C(=O)NC1=S 1 3.282 3 2 -14.2050454404047 2034609 C1CCN(CC1)CCN2C3=CC=CC=C3N\4C2=NC(=O)/C4=C\C5=C(C=CC(=C5)[N+](=O)[O-])Cl 1 4.347 5 3 0 -5.93187381945578 2034435 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCC4=CC=C(C=C4)OC)C5CCCCC5 1 5.428 3 3 0.622121195451334 2034378 C1=CC(=CC=C1CSC2=NNC(=N2)N)Br 1 2.779 4 0 -2.74858141427831 2034370 C1CCN(CC1)C(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)F)/C#N 1 3.041 4 2 -8.79920481732958 2034315 CCOC1=C(C=CC(=C1)C=NNC(=O)CSC2=NN=CN2C)OCC3=CC=CC(=C3)C 1 3.574 5 3 0 -22.5674968675687 2034115 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCC4=C2NC5=CC=C(C=C5)OC 1 5.04 4 1 -1.36499315699734 2034070 C1CC1NC(=S)NCCC2=CC=C(C=C2)Cl 1 3.716 2 0 -7.70102010526348 2033958 C1=COC(=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC(=O)O 1 1.996 0 6 0 -7.70097150971296 2033913 CCC(=O)N(C)CCC1=CC2=C(C(=C1C=NNS(=O)(=O)C3=CC=C(C=C3)C)OC)OCO2 1 2.945 3 6 0 -5.7448124200755 2033843 CSC1=NC2=NC(=CC(=O)N2N1)C3=CC=CC=C3 1 2.244 4 1 -2.36462045768953 2033765 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCOC)C4=CC=CC=C4Cl 1 3.611 3 3 -2.13872531069838 2033743 C1=CSC(=C1)CC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)F)F 1 3.072 3 2 -11.2381661956109 2033707 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC(=O)N4CCOCC4 1 2.507 1 6 0 -5.98329689785408 2033658 C1COCCN1C(=S)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 1.758 5 4 0 -18.7533179365275 2033526 CC1=CC(N2C3=C1C=C(C=C3/C(=C/4\C(=O)N=C(S4)NC(=O)C)/C2=O)OC)(C)C 1 2.341 3 4 0 -12.0565961817917 2033517 CC(=O)NCCOC1=NC(=NC(=N1)N(C)C)N2CCOCC2 1 -0.544 6 3 0 -10.1609366716786 2033429 CCC1=NN=C(S1)NC(=O)CSC2=NC(=NS2)SC 1 2.342 5 1 -18.3557014481136 2033398 CC1=C(C2=CC=CC=C2N1)C3=C(SC(=N3)N)C 1 2.611 3 0 4.99734778944481 2033394 CC1=NN(C(=C1)NC2=NN=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 3.469 7 0 0 -7.99679592542701 2033387 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=COC(=O)C(=C3)Br 1 1.763 2 4 0 -3.10771110998639 2033300 CCCCC1=CC=C(C=C1)NC(=O)N[C@@H](C)C(=O)O 1 2.766 2 3 -10.3010873963962 2033257 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCC=C 1 1.733 2 3 0 -15.8989556713299 2033254 CN1CCC2=C(C1)SC3=NC(=NC(=C23)NCCCN(C)C)SC 1 2.95 5 0 -2.18358495585814 2033237 CCOC1=C(C=C(C=C1)C2=NOC(=N2)C3=CN=CC=C3)OCC 1 2.659 3 3 3.87050759044665e-002 2033202 CC(C)(C)C1=CC(=NN1)C2=NNC(=S)N2C3=CC=CC=C3F 1 4.448 5 0 -0.328476711898581 2033177 CC1CCN(CC1)C(=O)N[C@@H](CCSC)C(=O)OC 1 1.263 2 3 0 -22.0517274941617 2033173 C1=CC=C(C(=C1)C2=NOC(=N2)CCCC(=O)N)Cl 1 1.819 3 2 0 -3.63498839552025 2033065 CN1N=C(N=N1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br 1 3.51 6 2 0 -6.83473467572418 2033004 CC1=CC(=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C/C=C/C4=CC=CC=C4)C 1 4.914 2 2 1.33735845953682 2032939 COC(=O)[C@H](CCSC)NC(=O)NCCC1=CC=CC=C1F 1 1.998 2 3 0 -22.1621600559361 2032826 C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl 1 5.396 3 3 -6.1546604538576e-004 2032709 C1COCCN1CCCNC2=C3C(=CSC3=NC=N2)C4=CC=CS4 1 2.82 4 1 -3.75203632111497 2032585 CN(C)CCCN1C2=C(C3=C(S2)CCCCC3)C(=O)N(C1=O)CCC4=CC=CC=C4 1 4.708 3 2 -9.98500049652055 2032581 CC(C)C[C@@H](C(=O)OC)NC(=O)NCCCC1=CC=CC=C1 1 3.153 2 3 -18.7145043069901 2032425 C1OC2=C(O1)C=C(C=C2)C3=NC(=NO3)C4=CN=CC=C4 1 1.762 3 3 0 3.49947552226296 2032380 CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=NC(=O)C4=CC=CO4)CC(C)C 1 2.938 4 5 0 -20.3396349546885 2032377 CCOCCCN1CN(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.353 4 3 0 -12.554471978528 2032322 CCN(CC)CCCNC1=C2C3=C(CN(CC3)C)SC2=NC(=N1)SC 1 3.647 5 0 -3.74517819662492 2032320 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3=CC=CC=C3Cl 1 4.411 2 4 -11.322445451355 2032243 CSC1=C(C(=NC(=N1)N)SCCS(=O)(=O)C2=CC=C(C=C2)Cl)C#N 1 3.705 4 2 -13.4392804144715 2032232 CCCS(=O)(=O)NC1=C(NC2=C1C=C(C=C2)OC)C(=O)O 1 1.811 2 5 0 -6.90794030862115 2032203 CN1C=CC=C1/C=C\2/C(=O)N=C(S2)NC3=CC(=CC=C3)O 1 3.128 3 2 -3.90929081272187 2032163 CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC=CO5)N)C 1 4.639 4 3 0 -10.579377277478 2032028 CN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C3=CC=C(C=C3)OC)C4=CC=CS4 1 4.448 2 3 -3.95648424879513 2031970 CCOC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC4=CCCCC4 1 4.201 3 2 -5.24092409871389 2031945 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCOC)C4=CC=CS4 1 2.9 3 3 -4.64140369726686 2031935 C1CC1NC(=S)NCCCN2CCOCC2 1 1.036 3 1 0 -12.7832859664361 2031833 COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)NCC4=CC=CC=N4 1 3.568 4 1 1.6997945142606 2031682 C1CNCCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)F 1 2.353 3 2 -15.3228084846932 2031631 CCOC(=O)/C(=C/C1=C(N=C2C=CC=CN2C1=O)OC3=CC(=CC(=C3)C)C)/C#N 1 3.446 3 4 0 -14.7608729996394 2031557 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC 1 2.904 1 5 -18.6703880006281 2031439 CCCC1=CC(=O)N2C(=N1)N=C(N2)NCC3=CC=C(C=C3)OC 1 1.705 5 2 0 -4.48852065838974 2031434 CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC4=NSN=C4C=C3 1 3.875 5 1 -0.413792941079252 2031402 COC1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4 1 4.933 3 4 0 -2.43384566184638 2031397 CN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C3=CC=CO3)C4=CC=C(C=C4)OC 1 3.89 2 4 0.121304330992558 2031385 CC1=C(C=CO1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=N3 1 1.486 4 3 0 -14.1609480089879 2031248 CC1=CC=C(C=C1)N2C=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3N=CC6=CC=CC=C6 1 5.38 6 1 0 -3.33711196033148 2031323 CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OS(=O)(=O)C)C 1 2.928 0 8 0 -12.6706390791348 2031268 CC1=CC=CC(=C1)C2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2C5=CC=CC=C5 1 5.14 3 2 2.7659119935465 2031293 C1=CC(=CC(=C1)Cl)C2=C(C(=O)NC(=S)N2)C#N 1 2.333 3 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1.303 4 4 0 -20.8981542394146 2050987 CC1=C(C(=CC=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC=CO4)C 1 2.738 3 3 -4.13579887684043 2050900 CCC(CC)C(=O)NC1=C2CS(=O)CC2=NN1C3=CC=C(C=C3)OC 1 2.732 3 3 -4.72774926514662 2026036 CCCN1/C(=C\C(=O)C2=CC(=CC(=C2)OC)OC)/C(=CC3=C1N=C4C(=CC=CN4C3=O)C)C(=O)OCC 1 3.71 3 6 0 -18.525577432939 2026019 CC1(CC2=C(CO1)SC3=C2C(=O)N(N=N3)CC4=CC=CC=C4)C 1 3.741 3 2 -23.6549112264758 2026009 CCCN1/C(=C\C(=O)C2=CC(=CC=C2)OC)/C(=CC3=C1N=C4C(=CC=CN4C3=O)C)C(=O)OCC 1 3.727 3 5 0 -16.5992610325633 2025978 CC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)C4=CC=C(C=C4)OC 1 4.032 2 3 0.836726043283458 2025961 COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NC4=CC=C(C=C4)F)OC 1 3.027 3 3 -4.2475186099208 2025910 CCCCOC1=NC=NC2=C1NC3=C2C=C(C=C3)OCC 1 4.156 3 2 2.19254706687345 2025888 CCN(CC)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CO3)/O2 1 3.198 1 5 -8.76415017655541 2025828 COCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2N=CC5=CC(=C(C=C5)OC)OC 1 3.153 6 4 0 -9.52779390691521 2025779 COC1=CC=CC(=C1)C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CS5)N 1 4.317 5 3 0 -6.74501632006291 2025754 C1CN(CCN1CC(=O)C2=CNC3=C2C=C(C=C3)F)C4=CC=CC=C4F 1 3.909 3 1 5.0292072906631 2025550 CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/SC2=S 1 4.02 2 6 0 -10.6838283433856 2025293 COC1=CC=CC(=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)N4CCOCC4 1 2.777 1 6 0 -8.60721118694169 2025277 COC1=C(C=C(C=C1)C=NN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F)CSC5=CC=CC=N5 1 4.889 5 2 0 -8.9013745380106 2025244 COC1=C(C=C(C=C1)C2=NC(=C(O2)N3CCC(CC3)C(=O)N)C#N)OC 1 1.688 4 4 0 -4.9439707969644 2025187 CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)C(=O)C5=CC=CO5 1 2.663 5 3 0 2.72430454829834 2025178 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)N)OC3=CC=C(C=C3)OC 1 1.702 4 4 0 -14.3405292039983 2025022 CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)OC4=CC=C(C=C4)Cl)/C#N 1 4.713 3 4 0 -10.9134022707209 2024989 CN1CCC2=C(C1)SC3=NC(=NC(=C23)N)SCCOC 1 2.062 4 1 -6.93498920471353 2024889 C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCC4=CC=C(C=C4)F)N)C(=O)NCC5=CC=CO5 1 3.882 5 2 0 -16.8650631601878 2024877 CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC(=O)C4=CC=CC=C4 1 4.815 0 4 -7.94387173846665 2024778 COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCC(CC4)(C5=CC(=CC=C5)C(F)(F)F)O 1 3.852 4 2 12.1306280220057 2024732 C1N(C2=NC3=CC=CC=C3N=C2N1S(=O)(=O)C4=CC=CC=C4)CC5=CC=C(C=C5)F 1 4.198 4 2 -8.64319405241761 2024682 CC1=CC=CC=C1N2C3=C(C=C(S3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Cl)C(=N2)C 1 4.519 4 3 0 -23.719336381714 2024661 CC1=CC=C(C=C1)NC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC 1 3.307 3 3 -4.95939563538605 2024626 COC(=O)CC1=CC=C(C=C1)NC(=S)NCCCN2CCOCC2 1 2.291 3 3 -17.1418023302175 2024608 CCOCCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC6=C(C=C5)OCCO6 1 3.314 5 4 0 -11.8473546824118 2024579 CN1N=C(N=N1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)OC 1 0.996 9 2 0 -21.1490037187437 2024504 COC(=O)[C@H](CCSC)NC(=O)NCCC1=CC=C(C=C1)F 1 1.998 2 3 0 -19.6036989462774 2024503 C1=CC=C(C=C1)C2=NC3=C(C(=N2)NCCO)OC4=CC=CC=C43 1 2.939 3 2 11.2951949931071 2024413 COC1=C(C=C(C=C1)C2=NC(=C(O2)N3CCC4=CC=CC=C4C3)C#N)OC 1 3.871 3 3 -5.55420910604942 2050889 C1C2=C(N(N=C2CS1=O)C3=CC=C(C=C3)F)NC(=O)C4=CC=C(O4)Br 1 2.539 3 3 -3.52062204831807 2050878 CC(C)CC(=O)NC1=C2CS(=O)CC2=NN1C3=CC(=CC=C3)Cl 1 2.746 3 2 -3.20421175855979 2050867 CC1=CC=C(C=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5 1 2.625 3 4 0 -6.12238014608635 2050860 C1C2=C(N(N=C2CS1=O)C3=CC=C(C=C3)F)NC(=O)CC4=CC=C(C=C4)F 1 2.817 3 2 -4.1376412115212 2050656 CC(=O)N1CCN(CC1)CC(=O)O 1 -4.017 2 3 0 -7.6918248899661 2050560 C1CN(CCN1C(=O)C2=CC=CC=C2C(=O)O)C(=O)C3=CC=CC=C3Cl 1 2.419 2 4 -8.20776499599729 2024199 CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)OCC4=CC=C(C=C4)F 1 2.931 9 3 0 -22.4057381929238 2024185 CCCNC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C 1 3.37 3 2 -16.9710774979415 2024171 C1=CC=C(C=C1)/C=C/CSC2=NN=C(N2N)C3=CC=CC=N3 1 3.039 5 0 -3.36801042093235 2023935 COCCN1CN(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC(=CC=C4)Cl 1 2.942 4 3 0 -9.62206886782843 2023917 C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br 1 5.349 2 4 -5.14591936759175 2050134 CN(C)C1=CC(=NC=C1)C(=O)O 1 0.899 2 2 0 -5.61256530751544 2050090 C1=CC2=C(N=C1)N=C(C=C2)C=O 1 1.249 2 1 0 -0.850516601371336 2050018 CC1=CC=C(C=C1)OCCC2=CSC(=N2)N 1 2.597 2 1 2.55056356941604 2050022 C1=CC(=CC=C1OCCC2=CSC(=N2)N)F 1 2.316 2 1 3.2624405948813 2050105 CN(C)C1=CN=CC(=C1)C(=O)O 1 0.471 2 2 0 -5.07236307029934 2050103 CNC1=CN=CC(=C1)C(=O)O 1 0.117 2 2 0 -5.36061893263635 2050040 C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O 1 3.234 1 4 -11.9251379399308 2050028 C1=CC=C(C=C1)OCC2=CSC(=N2)N 1 1.862 2 1 0 1.31029115166798 2049985 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=NNC(=O)C5=CC=CC=C54 1 1.702 4 4 0 -10.9114327265545 2049979 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=NNC(=O)C4=CC=CC=C43 1 2.228 4 2 -8.7569835315198 2049858 C1=C(C=C2C(=C1F)N=C(S2)NN)F 1 1.505 3 0 0 4.07886385321204 2049862 COC1=C2C(=CC=C1)SC(=N2)Cl 1 2.773 1 1 1.26108360221499 2049863 CCOC1=C2C(=CC=C1)SC(=N2)Cl 1 3.122 1 1 -1.6776658827945 2049905 CCOC1=CC=CC=C1N2C(=O)CC(=O)NC2=O 1 1.067 2 4 0 -9.60596227278572 2049896 CC1=CC(=C2C(=C1)N=C(S2)N)C 1 2.681 2 0 4.01997932309959 2049894 CC1=C2C(=C(C=C1)C)SC(=N2)N 1 2.681 2 0 3.19164164850269 2049891 C1=CC(=C2C(=C1Cl)N=C(S2)N)Cl 1 3.037 2 0 2.87684185675331 2049887 C1=CC(=C2C(=C1)SC(=N2)N)F 1 1.914 2 0 0 2.82448689406018 2049882 COC1=C2C(=C(C=C1)OC)SC(=N2)Cl 1 2.757 1 2 0.504208058837712 2049848 C1=CC(=C2C(=C1Cl)N=C(S2)NN)Cl 1 2.422 3 0 1.4504374138511 2049846 C1=CC(=C(C2=C1SC(=N2)NN)Cl)Cl 1 2.422 3 0 1.61767086157504 2049844 C1=CC2=C(C=C1F)SC(=N2)NN 1 1.299 3 0 0 4.7138398120416 2049837 C1=CC2=C(C(=C1)Cl)N=C(S2)NN 1 1.758 3 0 0 2.30675827915802 2049836 C1=CC(=C2C(=C1)SC(=N2)NN)F 1 1.299 3 0 0 2.05372740291219 2049835 CCOC1=C2C(=CC=C1)SC(=N2)NN 1 1.426 3 1 0 -1.76101217610909 2049834 COC1=C2C(=CC=C1)SC(=N2)NN 1 1.077 3 1 0 1.17773730890041 2049789 C1=CC=C2C(=C1)N=C(S2)COCC(=O)O 1 1.392 1 3 0 -3.3129779894629 2049773 CC1=CC=C(C=C1)/C=C(/C(=O)O)\NC(=O)C 1 1.238 1 3 0 -8.80680556352659 2049762 CC1=NN=C(N(C1=O)N)SCC2=CC=CC3=CC=CC=C32 1 2.551 4 1 -8.85716647926495 2049758 CC1=CC(=NO1)NC(=O)CSC2=NN=C(C(=O)N2N)C 1 -0.165 6 3 0 -23.9396344973694 2049754 CC1=NN=C(N(C1=O)N)SCC(=O)NC2=CC3=C(C=C2)OCO3 1 0.464 5 4 0 -17.4489583566125 2049752 CC1=NN=C(N(C1=O)N)SCC(=O)NC2=C(C=CC(=C2)Cl)OC 1 1.344 5 3 0 -14.8735781793014 2049751 CC1=NN=C(N(C1=O)N)SCC(=O)NC2=CC=C(C=C2)Br 1 1.444 5 2 0 -14.1270498458653 2049747 CC1=NN=C(N(C1=O)N)SCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 0.955 6 2 0 -11.8242391761116 2049745 CCOC(=O)CC1=CC(=O)NC(=O)N1 1 -0.543 2 4 0 -15.0227056673225 2049554 CCOC1=CC=C(C=C1)N2C=C(C3=C2NC=NC3=O)C4=CC=CC=C4 1 3.602 3 2 7.02374653950867e-002 2049552 CC1=CC=C(C=C1)N2C=C(C3=C2NC=NC3=O)C4=CC=CC=C4 1 3.755 3 1 1.24942682624725 2049550 C1=CC=C(C=C1)C2=CN(C3=C2C(=O)N=CN3)C4=CC=C(C=C4)Br 1 4.018 3 1 1.61476577173263 2049548 C1=CC=C(C=C1)C2=CN(C3=C2C(=O)N=CN3)C4=CC=C(C=C4)F 1 3.475 3 1 1.9613038517125 2049546 C1=CC=C(C=C1)C2=CN(C3=C2C(=O)N=CN3)C4=CC(=CC=C4)Cl 1 3.933 3 1 4.91927257074895 2049542 CC1=CC(=CC=C1)N2C=C(C3=C2NC=NC3=O)C4=CC=CC=C4 1 3.755 3 1 4.11503219451486 2049537 C1=CC=C(C=C1)C2=CN(C3=C2C(=O)N=CN3)C4=CC=CC=C4 1 3.269 3 1 0.289902853611374 2049532 C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Cl)SCCN 1 4.31 2 0 2.34859949268634 2049528 CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCN 1 4.132 2 0 0.526600802099523 2049526 COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCN 1 3.629 2 1 0.113634592955383 2049524 C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)F)SCCN 1 3.851 2 0 1.23847782756477 2049522 C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCN 1 3.646 2 0 -0.11632861122808 2049520 CC1=C(C2=CC=CC=C2N1)SCCN 1 1.981 2 0 0 0.834184451314379 2049502 CC1=CC=C(C=C1)SC2=C(NN(C2=O)C(C)(C)C)C 1 2.676 2 1 -3.29807828584165 2049501 CC1=C(C(=O)N(N1)C(C)(C)C)SC2=CC=C(C=C2)Cl 1 2.854 2 1 -1.28778300092103 2049499 CC1=C(C(=O)N(N1)C(C)(C)C)SC2=CC=CC=C2 1 2.19 2 1 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C1COCCN1CCCNC2=C(N=C(O2)C3=CC=CS3)C#N 1 1.735 4 2 0 -6.06772131831639 1979163 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)OCC(=O)NC4=CC=CC=C4 1 3.324 3 3 -8.57134391194945 1979162 CC1(CC2=C(C(=O)C1)C(NC(=O)N2C3=CC(=CC=C3)Cl)(C(F)(F)F)C(F)(F)F)C 1 4.495 2 2 -5.7006889188076 1979154 CC(=O)NCCOC1=NC(=NC(=N1)OC)N(C)C 1 0.21 5 3 0 -12.1349122749043 1979096 CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)COC3=CC(=CC4=C3C5=C(CCC5)C(=O)O4)C 1 5.103 3 4 0 -15.574593892421 1979036 C1=CC=C(C=C1)CC(=O)NNC(=S)NC(=O)C2=CN=CC=C2 1 1.557 4 2 0 -12.3855433251789 1978972 CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CN=CC=C3 1 8.e-003 10 2 0 -23.2046617252459 1978861 CCC(C)(C)C(=O)NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.071 3 5 0 -13.6590412425251 1978876 C1=CC(=CN=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.32 4 3 0 -15.9492914013394 1978771 C1CN(CCN1CC2=CC=CC=C2)C3=C(N=C(O3)C4=CC=CS4)C#N 1 3.74 4 1 -2.07452479175791 1978718 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)CCN2C3=CC=CC=C3N=N2 1 3.4 5 1 -16.9724452463985 1978686 C1=CC=C(C=C1)COC2=CC=CC3=C2N=C(C=C3)C=NN=C(N)N 1 3.045 5 1 1.37785981871088 1978454 CC1=CC(=O)OC2=C1C=CC(=C2)OCCSCCN3CCCCC3 1 3.999 1 3 -6.22703915688938 1978436 COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC=N3)OC)OC 1 3.972 5 6 0 -18.0633903000216 1978394 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC=N3)OC 1 3.988 5 5 0 -14.0558606014128 1978270 CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=NCC=C)S2)CC=C 1 3.804 3 1 -11.9740111465454 1978203 CC1=CS/C(=C(/C#N)\C(=O)N2CCOCC2)/N1C3=CC=CC=C3 1 1.891 3 2 0 -12.2477414791606 1978137 CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N)SC4=C3CCN(C4)C 1 3.012 4 3 0 -27.4799547362758 1978135 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=NC=CN=C4 1 0.94 6 3 0 -16.4733146037821 1978050 C1CCC2=C(C1)C(=O)C(=C(N2CC3=CC=CO3)O)C(=O)NC4=NC=CS4 1 2.4 3 4 0 -11.8022950899526 1977954 C1=CC=C(C=C1)/C=C(/C=NN2C(=NNC2=S)COC3=CC=CC=C3)\Cl 1 4.311 4 1 -6.40217977859839 1977894 CC1=CC=C(O1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C 1 0.699 9 3 0 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1976951 C1CCN(CC1)C2=CC=C(O2)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5 1 3.014 3 6 0 1.14218584845709 1976948 C1CCN(CC1)C2=CC=C(O2)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5 1 3.014 3 6 0 1.14218584845709 1976892 C1=CC=C(C(=C1)C(=O)NC2=CC(=O)N=C3N2NC=N3)F 1 0.887 5 2 0 -10.3770646241532 1976891 CCOC(=O)C(=O)NN=CC1=CC=CO1 1 0.764 2 4 0 -5.31119339644469 1976884 C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC(=O)O)/SC2=O 1 3.705 2 4 -5.88210149700746 1976855 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 4.748 3 1 -1.52030960381776 1976813 C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=C(C=C(C=C4)Cl)Cl 1 4.793 3 2 -2.4718246702974 1976784 C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC=CC=C3OCC(=O)O 1 1.934 2 6 0 -12.3311130425049 1976758 CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)/C=C\4/C(=O)NC(=O)N4 1 1.753 4 3 0 -10.589606146692 1976755 CCCCC(CCCC)(C(=O)NN(C1=CC=CC=C1)C(=O)C2=C(N=CC=C2)Cl)O 1 4.708 3 3 -18.7071784701433 1976699 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC=C(C=C4)F 1 3.546 3 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5.073 3 2 0.822312398909037 1972202 CN(C)CCN1C2=C(C3=C(S2)CCCCC3)C(=O)N(C1=O)CC4=CC=CC=C4 1 4.324 3 2 -11.5866347622726 1972140 COC1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)C4=CC=CC=C4)N)N)C#N 1 3.862 4 2 -6.06136692504459 1972117 C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC3=CC=CC=C3C=O 1 2.368 5 2 0 -3.54147051214248 1972114 C1CN(CCN1C2=NC=NC3=C2NC4=C3C=C(C=C4)Cl)C(=O)C5=CC=CO5 1 2.995 5 2 0 6.20871070719583 1972092 C1=CC2=C(C=C1Br)C(=O)C(=CO2)/C=C/C=C3C(=O)NC(=O)NC3=O 1 1.598 2 5 0 1.93824052872349 1972010 CC(=O)NN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S 1 1.166 3 4 0 -11.3527927158441 1971996 CN(C)CCCN1C2=C(C3=C(S2)CCCCC3)C(=O)N(C1=O)CC4=CC=CC=C4 1 4.387 3 2 -9.92856431513423 1971958 CC1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3NC2=O)S(=O)(=O)C4=CC=CC=C4 1 3.975 2 3 -11.03341654486 1971946 CCCCNC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 5.401 2 1 -8.79809641640659 1971928 CC(C)C1=C2COC(CC2=C3C4=C(C(=NC=N4)NCCO)OC3=N1)(C)C 1 2.24 4 3 0 -5.56694999638777 1971927 CC1=CC=C(C=C1)C2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2CCOC 1 3.433 3 3 -1.86344218592929 1971916 CC1=C(SC(=N1)NC2=C(C=CC=C2Cl)Cl)C(=O)NC3=CC=CC=C3 1 4.427 3 1 -5.61923818729252 1971900 COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC 1 2.447 2 5 0 -25.737792805759 1971867 COCC1=CC(=O)N2C(=N1)N=C(N2)C(F)(F)F 1 -0.23 4 2 0 -3.92702723804737 1971803 COC1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3NC2=O)S(=O)(=O)C 1 1.896 2 4 0 -11.2874272970214 1971852 CCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=N1)SCC(=O)OC 1 3.061 2 3 -24.1459970491429 1971814 C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC=N3)F 1 2.531 2 1 5.54778567795492 1971812 CC1=CC2=C(C=C1)NC=C2CCNC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 2.606 3 3 -11.6216531547977 1971778 CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=CC=C4F 1 3.283 7 1 0 3.46732893514398 1971769 COC1=CC=C(C=C1)C2=NOC(=N2)CCCC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.923 4 4 0 -8.4615025726398 1971752 C1COCCN1C2=CC=C(O2)/C=C(\C#N)/C(=O)NCCC3=CC=CC=C3 1 2.619 3 3 -14.2122816396581 1971650 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)NC(=O)C5=CC=CC=C5C)N 1 4.707 5 3 0 -15.3887334043039 1971691 C1=CC=C(C(=C1)CSC2=CC=CC=C2C3=NN=C(S3)NC(=O)NC4=CC=CC=C4F)F 1 5.458 4 1 -16.1452519742063 1971679 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OC 1 3.639 5 4 0 -19.5652898932018 1971610 CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 3.901 4 3 0 -8.8378060786383 1971608 CCOC1=C(C=CC(=C1)C=NNC(=O)CSC2=NN=C(S2)C)OCC3=CC=CC=C3Cl 1 4.375 4 3 0 -21.8289293333632 1971553 CCN1C=C(C2=CC=CC=C21)C=NNC(=O)COC3=CC=CC4=C3N=CC=C4 1 3.553 4 2 -10.5868117490659 1971514 CCOC1=CC2=C(C=C1)C3=C(C2=NNC(=O)C4=CC=NC=C4)C=C(C=C3)OCC 1 3.53 3 3 -9.29351397647664 1971493 C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)O 1 2.932 1 2 -5.24605413206773 1971455 C1=CC(=C(C=C1Cl)Cl)OCCCC2=NC(=NO2)C3=CC=NC=C3 1 3.728 3 2 5.70803028651162 1971449 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)OCC4=CC=C(C=C4)F 1 4.054 8 3 0 -21.2205996251803 1971447 C1=CC=C(C(=C1)CNC2=C(C=C(C=N2)Br)Br)O 1 3.865 2 1 5.00686030506838 1971378 CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NN=CC4=CC=CC=C4C(=O)O 1 5.47 5 3 0 -8.78082740819745 1971353 CC(C)OC1=C(C=C(C=C1)CC2=NNC(=S)N2CC3=CC=CC=C3)Cl 1 5.094 3 1 -6.67520793188245 1971329 C1CCC(C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC=CO5)N 1 3.449 6 2 0 -8.51010664025149 1971293 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)F)/C(=O)NCC3=CC=NC=C3 1 2.633 3 2 -17.6227023395792 1971242 COC1=C(C=C(C=C1)/C=C/C(=O)NCCSCC2=CC=CO2)OC 1 2.852 1 4 -10.7084194185194 1971233 CC(C)OC1=C(C=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)N)Cl 1 3.288 4 2 -18.7033600490889 1971206 CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC 1 5.438 2 6 0 -10.2363170231193 1971141 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5 1 6.009 7 1 0 -9.23429791966749 1971116 CC1=C(C(=NN1)NC=C2C(=O)CC(CC2=O)C3=CC=CO3)C4=CC=C(C=C4)Cl 1 2.873 3 3 -6.51623151990042 1971110 CC1=CC(=NC2=NN=CN12)C 1 0.805 4 0 0 -3.63747183671105 1971086 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(N(C4=NC5=CC=CC=C5N=C34)C6=CC=CC=C6)N 1 3.253 7 2 0 -21.9502712807832 1971044 COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC(=O)C2=CC=CO2)OC 1 2.983 2 6 0 -15.711026175666 1971017 CC1=NC2=NC3=C(CCCC3)C(=O)N2N1 1 0.863 4 1 0 -6.44283944252247 1970994 C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C3=CC=C(C=C3)F)N4C(=O)C5=CC=CC=C5C4=O 1 4.034 5 3 0 -6.20046469835336 1970974 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)F)/C(=O)NCC3=CC=NC=C3 1 3.119 3 2 -16.8270547720699 1970948 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCCN3CCCC3=O)OC1=O 1 0.173 3 5 0 -18.4242802927194 1970922 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCC4=C2NCCOC 1 3.185 4 1 -5.93374604883535 1970916 C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N3C(=O)C4=CC=CC=C4N=N3 1 3.191 5 4 0 -25.2008355457363 1970901 C1CCC2=C(C1)C(=O)N=C(N2)N3CCC4=CC=CC=C4C3 1 2.681 3 1 -13.4902226014049 1970900 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)NN=CC4=CC=CC=N4 1 4.842 4 1 -3.0127545692514 1970891 CCOC(=O)CSCC(=O)NC1=C(OC2=CC=CC=C21)C(=O)C3CC3 1 2.58 1 5 -10.6714358252208 1970846 CCCC1=C2CCCCC2=C3C4=C(C(=NC=N4)N5CCN(CC5)C(=O)OCC)OC3=N1 1 4.24 5 3 0 -1.76348711626546 1970834 C1CCCC(CC1)N2CNC(=NC2)NC3=NC4=CC=CC=C4S3 1 4.068 5 0 -0.84949823066872 1970701 CC(C)C1=NC2=C(C(=O)C3=C(O2)C=C(C=C3)OC)C(=O)N1CC4=CC=CC=C4 1 3.931 2 4 -2.37983310604632 1970700 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2=CC3=C(C=C2)N=CN3 1 2.149 4 4 0 -10.6892790804249 1970670 CC1=NC(=CC=C1)NC(=S)NC2=CC=C(C=C2)CC(=O)OC 1 3.928 3 2 -9.92591272069035 1970648 C1CSCC2=NC3=C(N21)C=CC(=C3)[N+](=O)[O-] 1 2.006 3 2 -2.05103238557077 1970639 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2 1 2.983 4 4 0 -34.5550693204502 1970633 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3 1 3.058 5 1 -11.8218340317057 1970570 CC(C)OC1=CC=C(C=C1)CCC(=O)NNC(=S)NC2=CC=CC=C2 1 4.475 3 2 -11.7464327958158 1970518 C1=CC=C(C=C1)C2=CC=CC=C2C3=NC(=NO3)C4=CC=NC=C4 1 3.513 3 1 6.58655730366318 1970515 COC1=CC(=C(C(=C1)OC)C=NNC(=O)C2=CC=NC=C2)OC 1 1.483 3 4 0 -7.24256140144602 1970500 COC1=CC=C(C=C1)CN2CCOCCOCCOCC2 1 1.313 1 4 0 0.414759260384768 1970474 CCOC1=CC2=C(C=C1)NC=C2C3=CSC(=N3)N 1 2.653 3 1 5.214507732261 1970419 CC1=CC=CC=C1NC(=O)CSC2=NC(=C3C4=C(CSC(C4)(C)C)SC3=N2)N 1 4.374 4 1 -16.9166468047412 1970396 C1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)OCC5=CC=CC=C5F 1 3.848 9 3 0 -25.413476841621 1970388 C1=CC2=C3N=C(NN3C(=S)N=C2C=C1)C4=CN=CC=C4 1 2.1 5 0 -4.01075883399252 1970386 CC1=NN(C(=C(C1=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CS3)C4=CC=CC=C4 1 5.234 3 2 -1.7921642034311 1970378 CCO/C=C/1\C2=CC=CC=C2C(=O)N(C1=O)C3=CC=C(C=C3)OC 1 2.657 1 4 -4.95916738374827 1970334 COC1=CC=C(C=C1)CNC2=NC3=NC4=C(CCC4)C(=O)N3N2 1 1.969 5 2 0 -6.67588751295462 1970321 CN1C=C(C2=CC=CC=C21)/C=C(/C(=O)N3CCOCC3)\NC(=O)C4=CC=C(C=C4)OC 1 2.371 3 4 0 -15.6275425807265 1970320 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCCC4=C2NCCN(C)C 1 3.91 5 0 -3.22432886239194 1970240 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCC4=C2NCCCN(C)C 1 3.517 5 0 -2.31578580624403 1970183 CC1=CC(=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCOCC3)N)C 1 3.182 3 2 -8.28960447839182 1970176 CCCCCCCC(=O)NN=CC1=CC=NC=C1 1 2.816 3 1 -9.74789589829134 1970167 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=C(C=C4)Cl)C(=O)O 1 2.458 6 4 0 -8.57981898367569 1970162 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CO4 1 2.072 4 2 -2.17239798907236 1970130 CCCOC1=CC=C(C=C1)N2C(=O)C/C(=C\C3=CC=CC=C3)/C2=O 1 3.757 1 3 -2.5729432849616 1970084 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2 1 2.413 4 4 0 -26.9113970809193 1970013 CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3=CC=CC(=C3C)C)S(=O)(=O)C4=CC=CC=C4 1 4.948 2 3 -11.237186746127 1969954 C1=CC2=C(C=C1O)C(=O)C(=CO2)C=NNC(=O)N 1 -2.3e-002 3 4 0 -2.74543844529603 1969953 CC1=CC(=NC2=NNC(=C12)C)C 1 1.57 3 0 0 -1.0865584674821 1969925 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3OC 1 4.512 3 3 -7.52708637184534 1969904 C1=CC(=C(C=C1Cl)Cl)C(=O)NNC(=O)C2=NC=CN=C2 1 1.327 4 2 0 -4.29997088685027 1969833 COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.408 7 3 0 -0.790284356112033 1969831 CC1(CC2=C(CO1)C=C3C4=C(C(=NC=N4)SCC=C)OC3=N2)C 1 3.332 3 2 -11.6697236312553 1969813 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=CC3=NSN=C32)Cl)F 1 4.764 4 1 -6.90274406762993 1969784 CN1C(=O)/C(=C/C2=COC3=C(C2=O)C=C(C=C3)O)/SC1=S 1 2.323 1 4 -1.41183515077506 1969765 CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)Cl 1 2.992 9 2 0 -24.1376670034082 1969700 C1=CC(=CC=C1CSC2=NN=C(S2)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O)Cl 1 4.512 4 3 0 -15.5652551313633 1969687 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCC(=O)NN=CC3=CC(=CC=C3)O 1 3.03 3 3 -14.3441044919245 1969673 CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=CN=CC=C2 1 2.627 3 2 -13.1190634144712 1969564 CC1=C2COC(CC2=C3C4=C(C(=O)N=CN4)OC3=N1)(C)C 1 1.137 3 3 0 -9.134307141919 1969545 CCOC(=O)C1=C(N(C(=S)S1)C)NC(=O)C2=CC=C(C=C2)F 1 3.531 2 3 -8.03579754534335 1969521 COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4 1 4.328 5 2 0 0.188560322543073 1969477 CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2N4CCCC4)C 1 3.03 5 0 -2.79668998044591 1969442 CC1=CC=C(O1)C=NC2=C(C3=C(S2)CCC3)C#N 1 3.559 2 1 -5.85799462743669 1969439 CN(C)CCNC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC=C(C=C4)F 1 4.577 4 1 -14.3898937663595 1969366 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=CC3=C(N2)C=CC=C3OC 1 3.219 3 4 0 -1.08768237589963 1969358 CC1=CC2=C(C=C1)N(C(=O)C2=C(C#N)C#N)CCN3CCOCC3 1 1.449 4 2 0 -5.80532986616636 1969340 CN(C)C(=O)/C(=C/C1=CN(N=C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)/NC(=O)C4=CC=CC=C4 1 4.268 5 4 0 -3.22192254655023 1969339 CC(=O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)S(=O)(=O)NC(=O)C 1 0.312 2 7 0 -10.1918646527576 1969190 CC1=C(C=CO1)C2=NN=C(O2)SCC(=O)NC3=NC(=CS3)C(C)(C)C 1 2.924 4 3 0 -15.2920171387187 1969161 CC(C)CCN1CC(=O)C(=C1N)C2=NC3=CC=CC=C3N2 1 2.498 4 1 -4.75349975544812 1969155 CCCCN1C=NC2=C(C1=O)NC3=C2C=CC(=C3)OC 1 2.853 3 2 -2.2234316380922 1969153 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NNC(=O)C3=CC=C(C=C3)Cl)Cl 1 4.838 3 3 -13.3242610486777 1969137 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=CC(=CC(=C4O3)C)C 1 2.887 4 5 0 -12.9849876373327 1969110 CC1=CC(=NC2=NC(=NN12)NCC3=CC=C(C=C3)OC)C 1 2.23 5 1 -5.93650937629149 1969093 C1=CC=C(C=C1)C(CNC(=O)C(=O)NCC2=CC=NC=C2)C3=CC=CC=C3 1 2.416 3 2 -11.9241307745207 1969083 COC1=C(C=C2CN(CCC2=C1)C(=O)CCCOC3=C(C=C(C=C3)Cl)Cl)OC 1 4.602 1 4 -12.4277983879142 1969051 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CC4=CC=C(C=C4)OC)C5=CC=CO5 1 4.04 3 4 0 1.50088411245291 1968992 CCOC(=O)C1=C(C2=C3CCCC3=C(N=C2O1)CC(C)C)N 1 3.645 2 3 -0.737200374562377 1968978 COC1=CC2=C(C=C1)NC=C2CCNC(=S)NC3CCCC3 1 4.241 3 1 -10.9621613768257 1968969 C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CN=CC=C2)O 1 1.529 3 2 0 -8.66798950093613 1968959 CCCCC1=C2CCCC2=C3C4=C(C(=NC=N4)SCC(=O)N)SC3=N1 1 4.443 4 1 -14.2029992937789 1968919 CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(O4)C 1 3.213 8 4 0 -24.2551285605857 1968840 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=C(C=C4)C 1 4.162 9 2 0 -28.1866453628062 1968802 CC1=C(C(=O)N=C(N1)N)CC(=O)OCCCl 1 7.2e-002 3 3 0 -14.2558178092821 1968717 CCN(CC)C(=S)SCC(=O)NC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3 1 5.734 3 2 -4.39915987018095 1968690 C1=CC=C(C=C1)/C=C/CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4 1 3.352 5 1 -5.94569410882693 1968675 COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)F 1 3.687 5 4 0 -13.576936360958 1968645 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC4=C(C=C3)OCO4 1 2.05 8 4 0 -23.712205052669 1968618 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)C4=CC=C(C=C4)F)C5CCCCC5 1 5.322 3 2 1.21018781026441 1968588 CC1=CC(=NN1)C(=O)NN=CC2=CC(=C(O2)Br)Br 1 2.412 4 2 -7.4139467805899 1968565 CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)O)N3C(=CC(=N3)C)C 1 2.641 5 3 0 -3.47212370971814 1968518 CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC 1 4.702 4 3 0 -25.9854827625188 1968485 C1=CC=C(C=C1)/C=C/C=NN2C(=NNC2=S)C3=CC=CO3 1 3.502 4 1 2.90385432202294 1968441 COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.455 3 4 0 -14.3790968002886 1968439 CC1=CC(=C(C=C1)N/C=C/C(=O)C2=CC=CO2)O 1 2.682 1 3 3.23792899145792 1968412 CCC1=CC=C(C=C1)NC2=NC(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)O)OC)/S2 1 4.17 2 5 0 -15.0091575650736 1968406 CC1=CC=CC=C1NC(=O)/C(=C/C2=CC(=C(C=C2)OC)OC)/NC(=O)C3=CC=CS3 1 3.978 2 4 -21.8464304117056 1968392 CC1=CC=C(C=C1)C(=O)NNC(=O)CCCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S 1 4.66 3 3 -14.3301307377461 1968390 CCOCCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl 1 1.641 1 3 0 -0.210182046053158 1968373 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)/C=C/4\C(=O)NC(=O)S4 1 1.395 3 4 0 -5.1334322764186 1968289 CC(=O)NC1=CC=C(C=C1)N/C=C\2/CCCC2=O 1 1.231 2 2 0 -9.07366845844627 1968274 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CO3 1 1.677 8 3 0 -22.3787743509305 1968208 CCC1=NN=C(S1)NC(=O)CCN2C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/SC2=S 1 3.284 4 5 0 -24.6119370775128 1968198 COC1=CC=C(C=C1)NC(=O)C(=O)NNC(=O)COC2=CC=C(C=C2)OC 1 0.94 3 6 0 -11.736423209426 1968191 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)F 1 4.054 8 3 0 -21.34441551451 1968169 CN1CCN(CC1)C(=O)CCCN2C(=O)/C(=C/C3=CC(=CC=C3)Br)/SC2=S 1 3.588 3 2 -9.44103294250074 1968103 CCOC(=O)C(=O)N(C1=CC=C(C=C1)C)NC2=CC=C(C=C2)C 1 4.077 2 3 -6.79522077683561 1968081 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=C/3\C(=O)N(C(=O)S3)CC(=O)N4CCOCC4 1 2.474 3 4 0 -10.6937390054497 1967961 CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)NC3=CC=C(C=C3)OC 1 3.295 3 4 0 -5.75411239756338 1967927 CC1=CC(=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=C(N(N(C5=O)C6=CC=CC=C6)C)C)N)C 1 4.225 7 2 0 -20.767291421167 1967911 C1CCN(CC1)C2(CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl)C(=O)N 1 3.869 4 1 -11.4941249123889 1967895 CC1=CC=CC=C1OCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC 1 4.801 2 3 -1.81219956895308 1967887 CC1=NC2=NC=NN2C(=C1)NC3=C(C=CC(=C3)C(=O)O)OC 1 2.225 5 3 0 -14.5889928652197 1967831 CCOP(=O)(C1=CC=CC(=C1)OP(=O)(C2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC(=C3)[N+](=O)[O-])OCC 1 4.293 2 9 0 -4.93824717389343 1967638 CCOC(=O)CN1C2=CC=CC=C2C3=C1SC(=N3)C 1 2.607 2 2 -3.14479635508442 1967623 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CC4=CC=CO4)C5=CC=C(C=C5)F 1 4.048 3 3 -0.86975870980764 1967612 CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=CC=C3C 1 5.77 2 2 -18.4655070073006 1967607 C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(=O)NC4=CC=CC=C4 1 4.019 2 2 -5.42647000524812 1967581 COC1=CC=CC=C1CC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=CS3 1 2.414 3 3 -13.1803251833775 1967568 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCCC4=C2N5CCN(CC5)C 1 4.083 5 0 0.963252901609761 1967565 C1CN(CCN1CCO)CC2=C(C=CC3=C2O/C(=C\C=C\C4=CC=CC=C4)/C3=O)O 1 2.853 2 4 14.8902125942538 1967511 CN1C=C(C2=CC=CC=C21)/C=C(/C(=O)N3CCOCC3)\NC(=O)C4=CC=CC=C4Cl 1 3.052 3 3 -15.2950928418581 1967488 CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(NC3=CC=CC=C32)C(=O)O)C 1 3.504 2 4 -3.54504668605066 1967479 CC1=CC(=C(N1C2=CC=C(C=C2)O)C)/C=C\3/C(=O)N(C(=S)S3)C 1 3.972 2 2 -3.69923036496496 1967472 CC1=C(N=C2N=C(NN2C1=O)C3=CN=CC=C3)C 1 0.122 5 1 0 -4.5826927954833 1967469 C1=CC=C(C(=C1)/C=C\C=NNC(=O)C2=CC=CC=N2)[N+](=O)[O-] 1 2.215 4 3 0 -4.32248930953358 1967369 COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=NS3)SC 1 3.55 4 2 -9.91656983979292 1967351 CCCC1=CC(=O)N2C(=N1)N=C(N2)C(F)(F)F 1 1.23 4 1 0 -2.87169036585673 1967332 CC1=CC(=CC(=C1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4N3C)C5=CC=CS5)C 1 5.58 3 2 -2.78488953856397 1967233 CC1=CC=CC=C1CN2C(=O)CSC2=NN=CC3=CC=CO3 1 3.621 3 2 -9.5355551939392 1967162 C1=CC2=C(N=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=O)CSC4=CC=C(C=C4)Cl 1 4.832 3 2 2.82629720243062 1967090 CCC1=CC2=C(C=C1)N(C3=C2N=C(S3)C)CC(=O)OC 1 3.201 2 2 0.476079268483313 1967077 C1=CC=C(C=C1)N2C(=O)/C(=C/C3=COC4=C(C3=O)C=C(C=C4)O)/C(=O)NC2=O 1 1.923 2 6 0 1.20789096098046 1966878 CC1=NC2=NC=NN2C(=C1)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.059 6 0 -3.57598659232647 1966876 CC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)C/C=C/C4=CC=CC=C4 1 4.428 2 2 3.39891848932971 1966976 COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC 1 4.387 1 3 -8.50335124211495 1966910 CCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)Cl 1 4.088 6 2 0 -1.59620131468913 1966784 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NS(=O)(=O)C3=CC=C(S3)Cl 1 3.335 2 5 0 -5.45223601657414e-002 1966809 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 4.017 6 5 0 -18.5696898950614 1966743 C1CC1C(=O)NNC(=S)NC2=CC(=C(C=C2)F)Cl 1 3.237 3 1 -6.49532446293401 1966693 CC1=CN=C(O1)NC(=O)C2=C(N=C(S2)NC3=CC=CC=C3)N 1 1.193 5 2 0 -2.66204911072022 1966682 CN(C)CCN1C2=C(C3=C(S2)CCCCC3)C(=O)N(C1=O)CC4=CC=CO4 1 3.506 3 3 -13.5209947945924 1966581 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)C4CCCCC4)C5=CC=CS5 1 4.889 3 2 -4.66844015670709 1966564 C1=CC=C(C=C1)C(=O)NC2=NN(C(=N2)N3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5 1 3.828 5 3 0 -8.0010207533762 1966518 CC1=CC=CC=C1C2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2CCOC 1 3.433 3 3 -2.19139231950753 1966501 CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)C)NCC4=CC=CC=N4 1 4.311 5 0 -3.97920198884629 1966455 COC1=CC2=C(C=C1)NC=C2CCNC(=S)NC3=C(C=C(C=C3)OC)OC 1 4.661 3 3 -13.5273202363161 1966441 C1CCC(CC1)N2C(=O)C3=C(N(C2=O)CCN4CCCC4)SC5=C3CCCCC5 1 5.06 3 2 -14.3910221693252 1966389 CSC1=NSC(=N1)SCC(=O)NC2=NC3=CC=CC=C3S2 1 3.566 4 1 -8.06747202414833 1966347 C1=CC2=C(C=C1Br)OC=C(C2=O)C=NNC(=S)N 1 1.958 3 2 0 -3.09749822292196 1966285 CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4 1 3.959 2 4 -10.1192265412286 1966280 C1=CC=C(C=C1)C2=NC3=NC(=O)C=C(N3N2)NC(=O)C4=CC=C(C=C4)Cl 1 3.089 5 2 0 -5.84436210839983 1966259 C1CCC(CC1)N2C(=O)C3=C(N(C2=O)CCN4CCOCC4)SC5=C3CCCCC5 1 4.287 3 3 -17.0899967065406 1966234 C1=C(SC(=C1)[N+](=O)[O-])C=NNC(=O)C2=CC(=CN=C2)Br 1 2.253 4 3 0 -0.673723778934284 1966177 CCCCC(CCCC)(C(=O)NN(C1=CC=CC=C1)C(=O)CCl)O 1 3.854 2 3 -21.1733138498374 1966110 CC(C)N1CNC(=NC1)NC2=NC3=CC=CC=C3O2 1 1.922 5 1 0 -4.36306521037049 1966104 C1=CC=C(C=C1)C2=NOC(=N2)CCCC(=O)N 1 1.154 3 2 0 -1.52571368183996 1965998 COC1=C(C=C(C=C1)C2=NOC(=N2)COC3=CC=CC=C3OC)OC 1 2.931 2 5 0 -1.9880276873038 1965991 CC1=CC2=NC(=O)/C(=C\C3=CC=C(O3)C4=CC(=CC=C4)Cl)/C(=N)N2O1 1 3.453 3 3 1.53207209587188 1965968 C1=CC2=C(C=C1S(=O)(=O)N)C(=C(C#N)C#N)C3=C2C=CC(=C3)S(=O)(=O)N 1 0.593 4 4 0 -10.0250677068451 1965859 CCN1C(=O)/C(=C\2/C=CC=CN2C)/OC1=S 1 1.246 2 2 0 -6.25883188971925 1965826 C1=CC(=CC=C1S(=O)(=O)NCCCCCC(=O)O)Cl 1 2.368 1 4 -11.6988835057433 1965778 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)OC1=O 1 2.314 2 4 -13.2947494760309 1965760 C1=CC=C(C=C1)[C@@H](C(=O)O)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2 1 2.092 4 4 0 -27.9793480541229 1965647 CC1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=CC=C3 1 1.947 4 1 0 -8.69818512051439 1965646 COCCNC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 1 2.371 3 3 -11.7534604186313 1965636 CCCCC1=C(N=C(NC1=O)SCCC(=O)O)O 1 2.438 2 4 -18.4779775231765 1965598 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(N(C4=NC5=CC=CC=C5N=C34)C6=CC(=CC=C6)OC)N 1 3.236 7 3 0 -21.5360149537883 1965567 C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-] 1 3.255 2 6 0 -3.78796369296692 1965531 CC(C)C[C@@H](C(=O)O)NC(=O)CCCN1C(=O)C2=CC=CC=C2N=N1 1 2.658 4 4 0 -38.1034760266017 1965523 CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])/C#N 1 5.348 4 4 0 -13.7791689677555 1965510 C1=CC=C(C=C1)[C@@H](C(=O)O)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2 1 3.574 4 4 0 -35.7531706294529 1965501 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=NNC(=O)C4=CN=CC=C4 1 3.615 4 1 -7.66122164125767 1965494 CC(=O)NCCOC(=O)NC1=CN=CC=C1 1 -0.365 3 3 0 -8.46839555243154 1965473 CCCCN1C(=O)C=CC(=N1)C(=O)O 1 1.083 2 3 0 -7.51994786252296 1965285 CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C=N2)CC3=CC=C(C=C3)Cl 1 3.507 2 3 -7.88241245528472 1965253 CCCCC1=NN=C2N1C3=CC=CC=C3N=C2N(C)S(=O)(=O)C4=CC=C(C=C4)C 1 4.494 5 2 0 -10.7093799547179 1965229 COC1=CC=C(C=C1)NC(=O)C(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.45 3 4 0 -5.74446472728064 1965168 CCCSC1=NN=C(S1)NC(=O)NC2=CC=CC=C2OC 1 2.936 4 2 -18.6827038846154 1965127 CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=NC=C4 1 2.522 9 3 0 -24.142423781912 1965120 COC1=CC=C(C=C1)CC(=O)NNC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 2.404 6 2 0 -0.880923267777824 1965107 COCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=CO4)N 1 1.704 5 3 0 -20.8423375454586 1965061 CCCCCC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1CC4=CC=C(C=C4)OC 1 5.016 3 3 -0.970173836369876 1965046 C1=CC=C(C(=C1)C(=O)NNC(=S)NCC2=CC=CO2)Br 1 2.933 3 2 -11.3679487984743 1965009 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CN=CC=C4)/O3 1 3.607 1 5 -11.1130313949986 1964982 C1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CN=CC=C4)/O3 1 3.12 1 5 -12.1064352607596 1964957 C1=CC=C(C=C1)CSC2=CC=CC=C2C3=NN=C(S3)NC(=O)NC4=CC=CC=C4F 1 5.252 4 1 -14.6055215331178 1964932 CCN(C1=CC=CC=C1)C2=NC3=NON=C3N=C2NCCO 1 0.832 6 2 0 -16.2921611237891 1964903 CC1=C([N+](=O)C(=CN1[O-])C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 2.32 2 2 2.51672636376788 1964897 C[C@@H](C1=NN=C(O1)SCC(=O)C2=CC=C(C=C2)Cl)N 1 1.991 3 2 0 -9.63157326748155 1964886 CC1=CC=C(C=C1)SCCNC(=S)NC2=CC(=C(C=C2)C)C 1 6.161 2 0 -7.2669169601102 1964819 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C)C4=CC=CO4 1 1.926 7 4 0 -18.7131095802189 1964765 COC1=CC=CC(=C1)NC(=O)NC2=NN=C(S2)C3=CC=CC=C3SCC4=CC=CC=C4 1 5.03 4 2 -12.2086736051439 1964760 COC1=C(C2=C(C=C1)C=NN(C2=O)C3=CC=C(C=C3)OC(F)(F)Cl)OC 1 5.009 2 4 -1.87177745924746 1964471 CC(C)(C)OC(=O)NCCCCCC1=NN=C(O1)SCC2=CC=C(C=C2)F 1 4.453 3 3 -23.0189380231503 1964425 CCCSC1=NC(=C2C3=C(COC(C3)(C)C)SC2=N1)NCC4=CC=CO4 1 4.699 3 2 -16.3774738851507 1964415 C1=CC(=CC=C1NCC2=CC(=CC(=C2O)Br)Br)S(=O)(=O)NC3=NC=CS3 1 3.961 3 3 -0.138085745378978 1964370 CCCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=CC3=C2N=CC=C3 1 4.963 2 2 -9.48878321817059 1964348 CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3C(=O)NCC4=CC=CO4 1 3.604 3 3 -4.56006134001924 1964312 COC1=CC=C(C=C1)OCCNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.183 1 3 -11.8017027546657 1964295 COC1=CC=C(C=C1)CN2C(=O)CSC2=NN=CC3=CC=CC=C3 1 3.724 3 2 -8.1495119193486 1964281 C1=CC=C2C(=C1)N=NN2CC3=NN=C4N3N=C(S4)C5=CC=CS5 1 2.994 7 0 0 -13.4744086336781 1964183 CC1=CC(=NC(=N1)N2C3=C(C=N2)C(=O)CCC3)C 1 1.755 4 1 0 -4.78075091457451 1964181 CCN1CCN(CC1)C2=CC(=NC3=C(C(=NN23)C)C4=CC=CC=C4)C(C)C 1 4.323 5 0 -1.87539424085321e-002 1964059 COC1=C(C=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)[N+](=O)[O-] 1 2.747 2 6 0 -16.1952931822616 1963940 C=CCNC1=C(C(=C(S1)C(=O)C2=CC=CC=C2)N)C#N 1 2.869 3 1 -13.2167512692165 1963914 CCOP(=O)(C(=C1SCN(CS1)C2=CC=C(C=C2)Cl)C#N)OCC 1 3.799 2 3 -2.67567136407103 1963888 C1=CC(=CC(=C1)NC(=O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O 1 0.365 4 8 0 -15.1872900675567 1963859 CC(C)(C)C1=NC2=C(C=NN2C(=C1)NCCCN(C)C)C3=CC=CC=C3 1 3.999 5 0 -5.09691286772343 1963831 C1=CC(=CN=C1)CNC(=O)C(=O)NC2=NC=CS2 1 -0.266 4 2 0 -12.7192882453814 1963766 CC(C)NC1=NC(=NC(=N1)OC)N(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N 1 1.395 7 4 0 -9.4827638939103 1963740 CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN(CCOC)CCOC 1 2.246 1 6 0 5.37665679959634 1963735 CC1=CC=[N+](C=C1)C2=C(SC(=N2)[O-])C=NNC(=O)CCN3C4=CC=CC=C4C5=CC=CC=C53 1 5.032 5 2 0 -11.3658607542356 1963710 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)NC(=O)OC 1 1.823 4 7 0 -8.39320556289748 1963704 CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC=C)C4=CC=CC=C4 1 4.442 3 1 -24.2263907260584 1963595 CC1=NC2=C(C(=NN2C=C1C(=O)NC3=CC=C(C=C3)OC)C)C4=CC=CC=C4 1 2.954 4 2 -4.26108820267068 1963601 COC1=C(C2=C(C=C1)NC(=C2)C(=O)NN=CC3=C(C(=CC=C3)OC)OC)OC 1 3.202 3 5 0 -1.98756485804708 1963617 CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)COC4=CC=C(C=C4)C 1 6.255 4 1 -11.0612134368819 1963612 COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CC=CC=C3O 1 2.93 3 5 0 -13.9895531856739 1963578 CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OC)C4=C(C2(C)C)SSC4=S 1 5.111 1 3 -19.5301715412569 1963487 CC(C)C1=CC(=C(C=C1)N)S(=O)(=O)O 1 1.61 1 3 0 -2.62274990740665 1963485 CCOC1=CC(=C(C=C1)C2=C[N+](=O)C3=C(N2[O-])CCCC3)OCC 1 1.762 2 4 0 -5.16436979199798 1963468 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=C(C=C4)S(=O)(=O)N 1 1.598 6 5 0 -7.85683643223433 1963406 CC1=C(C=CC2=C1O/C(=C\C3=CC=CO3)/C2=O)OC(=O)N(C)C 1 2.987 1 5 -2.77786152998967 1963384 CCC1=C(C=C(C(=N1)SCC(=O)CC(=O)OCC)C#N)C 1 3.041 2 3 -14.5355349217011 1963352 C1=CC=C(C=C1)CCNC(=O)CNS(=O)(=O)C2=CC=CC3=NSN=C32 1 1.833 4 3 0 -15.6811423139446 1963338 CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)Br 1 4.874 4 1 -11.8182546610923 1963335 CCCCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SC)O 1 4.14 2 3 -10.7964481213257 1963306 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O 1 0.685 4 5 0 -20.1803679536475 1963301 C1=CC=C(C=C1)COC(=O)CSC2=C(C(=NS2)SCC(=O)OCC3=CC=CC=C3)C#N 1 5.049 2 4 -14.6700351092977 1963296 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(=O)NCC3=CN=CC=C3 1 1.681 4 2 0 -7.08671053078967 1963159 CCCC1=NC2=C(C(=O)C3=C(O2)C=C(C=C3)OC)C(=O)N1CCC4=CC=CC=C4 1 4.246 2 4 -2.55904611675892 1963150 CC1=CC(=C(C=C1)NC2=NC(=O)C3=C(S2)N=CC=C3)Br 1 4.23 3 1 -1.48446564566338 1963113 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OC 1 1.962 4 7 0 -18.8011710814516 1963106 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=CC2=CC=C(O2)S(=O)(=O)[O-] 1 0.806 2 6 0 -8.12624893176776 1963075 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3 1 3.566 3 5 0 -13.7187853686133 1963060 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCOC)C4=CC=CC=C4 1 2.946 3 3 -2.50637159925689 1963009 CC1=N/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)N1C3=CC4=CC=CC=C4C=C3 1 3.659 2 3 -8.3310538071516 1962965 CC1=CC(=C(C=C1)N(CC2=CC3=C(C=C(C=C3)C)NC2=O)S(=O)(=O)C)C 1 3.371 2 3 -11.2738917124371 1962944 C1=CC2=C(C(=C1)OC(=O)/C=C\C3=CC=CO3)N=CC=C2 1 3.311 1 3 -6.27352154030269 1962930 CC(C)(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=NN=NN3CC4=CC=CC=C4 1 3.602 7 2 0 -33.0292326786496 1962927 C1COCCN1CCNC(=O)/C(=C\C2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 2.026 3 3 -20.4886375481399 1962807 CC1CCN(CC1)CC2=CC(=O)OC3=C2C=CC(=C3C)C 1 4.074 1 2 -2.82064805291173 1962724 CC1=C(C(=NC2=NC(=NN12)NCC3=CC=C(C=C3)OC)C)Cl 1 2.894 5 1 -2.43577828907002 1962679 CSC1=CC=C(C=C1)C2=C/C(=C/3\C(=O)NC(=S)S3)/C4=CC=CC=C4O2 1 4.764 1 2 4.95590943845169 1962660 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCC4=C2NCC5=CC=CC=N5 1 3.963 5 0 -2.82532543853651 1962637 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NC4=CC=CC=C4O3 1 3.182 2 3 -3.08422714695873 1962624 CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC=C3OC)OC 1 2.765 3 5 0 -14.5599566133337 1962620 C1=CC(=CC=C1OCCN2C=NC(=C2Cl)Cl)Cl 1 3.552 2 1 -0.240543144113187 1962617 C1=CC=C(C(=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CN=CC=C4)N)F 1 3.071 4 1 -6.49303462844897 1962541 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O 1 3.41 4 4 0 -23.4949382245156 1962480 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)NCCO 1 2.477 2 2 -3.64919170591629 1962341 CCN1C(=O)C2=CC3=C(CC(OC3)(C)C)N=C2N=C1SCC(=O)NC4=CC=C(C=C4)C 1 3.053 4 3 0 -22.7221382064176 1962440 CC1=CC(=CC=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CS4 1 5.196 3 1 -9.39896128695699 1962427 CCN(CC)C(=O)CSC1=NC(=NC2=C1COC(C2)(C)C)C3=CC=C(C=C3)C 1 3.805 3 2 -15.2777201938534 1962409 CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=C(C=CC4=CC=CC=C43)OC 1 2.05 9 3 0 -19.5029918349963 1962260 CC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CSC=C4 1 2.965 8 2 0 -24.752030267793 1962252 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CC4=CC=CC=C43 1 3.19 8 2 0 -19.1564356198177 1962225 CCOC1=C(C=CC(=C1)C=NNC(=O)CSC2=NN=CN2C)OC(=O)C3=CC=C(C=C3)Cl 1 3.617 5 4 0 -25.0942099307582 1962220 CCOC(=O)C1=C(N(C(=S)S1)C)NC(=O)C2=CC=CC=C2Cl 1 3.99 2 3 -8.99274866047944 1962096 COC1=CC=CC(=C1)C(=O)NC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.794 2 3 0.553119396496337 1961998 C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)Cl 1 4.328 4 1 -12.2514235787947 1961874 COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=NC3=CC=CC=C3C=C2 1 3.272 4 3 0 -8.90409157761057 1961811 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCCC2 1 3.219 2 4 -17.9838899779751 1961761 CCCCNC(=O)NC1=C(NC2=C1C=C(C=C2)C)C(=O)OC 1 3.201 3 3 -8.74115697819541 1961675 CC1=C(C(=NN1CCCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-])Cl 1 4.725 4 3 0 -15.7572455959229 1961636 C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N(N=C3)C45C[C@@H]6C[C@H](C4)CC(C6)(C5)C(=O)O)Cl 1 3.162 4 3 0 -3.50760487871159 1961595 C1=COC(=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N 1 1.522 5 4 0 -11.6418424284521 1961588 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CC4=CC=CO4)C5=C(C=C(C=C5)Cl)Cl 1 5.171 3 3 0.627751832326625 1961577 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=N3)CN4CCCC4)C 1 3.253 4 2 2.16553262489748 1961574 C1=CC(=CN=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl 1 3.785 1 5 -9.29103270441182 1961508 C1=CC=C(C=C1)/C=C/C=NN2C(=NNC2=S)C3=CN=CC=C3 1 2.956 5 0 1.00513213033373 1961358 CC1=C(C=C2C(=C1)C(=NC(=N2)NC3=NCN(CN3)CC4=CC=CO4)C)C 1 3.228 6 1 0 -4.1417412101365 1961333 CN1C2=C3C(=CC1=O)C4=CC=CC=C4C(=O)C3=C(C=C2)N5CCCCC5 1 3.59 2 2 5.17177842220343 1961294 CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)OCC4=CC=C(C=C4)F 1 3.628 9 3 0 -25.5959026690124 1961235 CC1=NC2=C(C(=C1)C3=CC=CS3)C(=C(S2)C(=O)C4=CC5=C(C=C4)OCO5)N 1 4.211 2 3 -6.58584990556739 1961208 C1CCN(C1)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.767 2 1 -9.35430988292661 1961205 CC(C)C1=NC2=C(C(=O)C3=C(O2)C=C(C=C3)OC)C(=O)N1CCC4=CC=CC=C4 1 4.252 2 4 -2.80529082953099 1961175 CC(C)C(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC=CC=C3 1 3.976 2 2 -3.96425682117947 1961174 C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2CC(=O)NCCO)SC4=CC=CC=C4 1 5.026 2 2 -9.93736782586263 1961162 CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)F)[N+](=O)[O-] 1 3.701 5 3 0 -12.7504175562744 1961132 CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])/C#N 1 5.348 4 4 0 -15.0321199396263 1961121 CC1=CC(=CC=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=C(N(N(C5=O)C6=CC=CC=C6)C)C)N 1 3.739 7 2 0 -18.9528982312596 1961113 COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br 1 4.285 5 4 0 -16.1233598720463 1961111 CC1=CC2=C(C=C1)N=C(S2)N3CN(CN(C3)C4=NC5=C(S4)C=C(C=C5)C)CCN6CCOCC6 1 4.517 6 1 0 -0.161208175321176 1960944 CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC=C(C=C4)Br)CCC(=O)O 1 5.483 0 5 -3.54989097167939 1960924 COC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)OC 1 2.596 4 4 0 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CCCC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1C4=CC(=CC(=C4)C)C 1 5.085 3 2 0.309921174763112 1960296 CN1C(=NN=C1SCC(=O)O)C2=CC(=CC=C2)NC(=O)C3=CC=CC4=CC=CC=C43 1 3.583 4 3 0 -11.272213247377 1960480 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)N 1 3.145 4 1 -4.27479250059035 1960346 CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=CC=CC=C3OC)CC(=O)OC 1 0.575 5 4 0 -12.4558830195941 1960376 CN1C(=O)C(=CC2=C(N(C(=O)S2)C3=CC=CC=C3)N(C)C)C(=O)N(C1=O)C 1 2.003 4 4 0 -6.11069185335 1960250 CC1=NC2=C(C=CC=C2NC(=S)NC(=O)C)C=C1 1 2.57 3 1 -7.15260428708326 1960237 C/C(=C\C1=CC=CO1)/C=NN2C(=NNC2=S)C3=CC=CO3 1 3.344 4 2 -3.86459359019899 1960218 C1C2=CC=CC=C2C(=O)N1CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.465 2 3 -10.4654996140438 1960206 CC1=CC(=C(N1C2=CC(=CC=C2)O)C)/C=C\3/C(=O)NC(=S)S3 1 3.766 2 2 3.03351659202328 1960193 CN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C3=CC=CC=C3)C4=CC=CC=N4 1 3.789 3 2 -2.31088301429332 1960172 CC1=CC=C(C=C1)C2=NNC(=S)N2N=C/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 4.488 5 2 0 1.09267656932832 1960170 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1956536 COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCN4CCOCC4)N 1 1.543 5 3 0 -13.4089513643216 1987875 C1=CC=C2C=C(C=CC2=C1)OCCOCCBr 1 3.4 0 2 3.00580395913271 1987855 C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCN 1 -0.209 3 2 0 -5.92437101718878 1987843 C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)NC(=O)C4=CC=CC=C4C(=O)O 1 4.096 2 3 2.23553404065344 1987792 C=CCN1C(=NNC1=S)C2=CC=C(C=C2)F 1 2.924 3 0 -6.18071603723143 1987766 C1CCC(CC1)NC(=O)NCCCN2CCOCC2 1 1.116 3 2 0 -13.1259224799552 1987744 C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O 1 4.76 1 4 -8.32665571497458 1987738 CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C 1 4.595 4 2 -8.00779316375034 1987704 CN1C(=O)/C(=C\C2=CC=CN2C3=CC=CC(=C3)C(=O)O)/SC1=O 1 2.945 2 4 -3.69723956614898 1956416 CC(C)C1=C2CCCC2=C3C4=C(C(=NC=N4)N(C)CCO)OC3=N1 1 3.042 4 2 1.9349211641054 1956408 C1COCCN1CCN2CN(C(=S)N(C2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.822 4 1 -6.60715230334726 1956322 COC(=O)/C=C\1/C(=O)SCCN1 1 0.102 1 3 0 -8.66932898000835 1987642 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CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 2.578 4 4 0 -6.6303499361128 1987136 CN(C)CCCNC(=O)C1=CC=CC=N1 1 0.517 3 1 0 -9.63681222812775 1987084 C1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)OCC5=CC=CC=C5 1 3.642 9 3 0 -25.3525481235336 1956262 CC1=NC2=C(S1)N(C3=C2C=C(C=C3)OC)CC(=O)OC 1 2.242 2 3 -1.08162824054484 1956253 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC(=CC(=N5)C)C 1 2.079 7 4 0 -21.2473499352671 1956234 CC1=NC2=C(C(=O)N1N=CC3=CC(=C(C=C3)OC)CN4CCCC(C4)(C)C)NC5=CC=CC=C52 1 4.832 5 2 0 -2.14922039976979 1956232 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CC4=CC=CO4)C5CCCCC5 1 4.305 3 3 -1.38602403554408 1956223 CCCC1=C2COC(CC2=C3C4=C(C(=NC=N4)OC)OC3=N1)(C)C 1 3.421 3 3 -6.39810049156762 1956152 COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3 1 3.18 3 4 0 -15.2191858812865 1956115 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)N=C1CN4CCCC4 1 3.431 4 2 3.9875313154843 1956111 CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])/C#N 1 5.348 4 4 0 -14.0256081537444 1956104 CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NS(=O)(=O)CC)C)C 1 1.922 2 5 0 -9.06075807244955 1956043 CC1=C(C(=O)N=C(N1)N2CCC3=CC=CC=C3C2)CC4=CC=CC=C4 1 3.561 3 1 -12.1035658307567 1956032 COC1=CC=C(C=C1)S(=O)(=O)NC2=C(NC3=C2C=C(C=C3)OC)C(=O)O 1 2.499 2 6 0 -3.33514823837585 1987067 CCOCCCNC1=C(C(=O)N2C=CC=C(C2=N1)C)/C=C\3/C(=O)N(C(=S)S3)CC(C)C 1 3.069 4 3 0 -21.1454336332744 1987058 CCCCN1CNC(=NC1)NC2=NC3=CC=CC=C3O2 1 2.524 5 1 -3.21786532460836 1987056 COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=CC=C3 1 3.567 2 4 -8.22389973250257 1986977 CC1=CC=CC=C1NC(=NC(=O)C2=CC=CC=C2)NC3=NC(=O)C=C(N3)COC 1 2.834 5 3 0 -16.2268651644074 1986934 CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CBr 1 1.633 3 5 0 -10.2173645916105 1986887 COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)OC 1 2.906 3 5 0 -15.5697570183222 1986853 CC1=CC=NN2C1=C3C(=C2C4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C 1 2.621 4 3 0 -8.6624097623905 1986813 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCCC2=CCCCC2 1 3.444 2 3 -16.4720245018862 1986772 CC1=C(C(=O)N=C(N1)SCC=C)CCC(C)C 1 3.651 2 1 -14.9278617340262 1986769 CCCCCC1=C(NC(=NC1=O)N2CCC3=CC=CC=C3C2)C 1 3.897 3 1 -12.6537251054269 1986631 CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCOC)N 1 3.308 4 3 0 -16.9973377821534 1986588 CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)C(=O)CN4CCC5(CC4)OCCO5 1 3.852 2 4 -4.70267855674068 1986560 COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CO3 1 3.4 5 5 0 -14.4762619566403 1955982 COC1=CC2=C(C=C1)C(=O)C3=C(O2)N=C(N(C3=O)C4=CC=CC=C4)C5=CC=CO5 1 3.854 2 5 0 -0.800945736972055 1955955 C1=CC=C(C=C1)NN2C(=O)/C(=C/C3=CN=CC=C3)/SC2=S 1 3.495 3 1 -4.83072854381572 1955908 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCCCC(=O)O 1 1.375 1 6 0 -13.6700700628302 1955890 COC1=CC2=C(C=C1)C(=CN2)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.114 3 4 0 -11.1216031098816 1986353 CC1=CC(=CC(=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)C6=CC=CC=C6OC)C 1 5.781 5 2 0 -5.30031192964745 1986346 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.159 4 4 0 -6.29308762397042 1986304 CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C=CS4)C 1 3.588 8 3 0 -23.9871182098016 1986289 CC1=CC(=NO1)NC(=O)C2=CC(=CC(=C2C)[N+](=O)[O-])[N+](=O)[O-] 1 2.028 4 6 0 -13.856633593248 1986264 C1=CC(=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)F)F)S(=O)(=O)NC3=NC=CS3 1 3.662 4 3 0 -13.3129913345799 1986247 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)F)OC 1 4.038 8 4 0 -25.3768932595548 1986244 CC1=CC(=CC=C1)CSC2=NN=C(O2)CCCCCNC(=O)OC(C)(C)C 1 4.734 3 3 -23.1390363670196 1986205 C=CCNC1=C(N=C(O1)C2=CC=CS2)C#N 1 2.463 3 1 -8.23370547099549 1986175 CC1=C(SC(=N1)NCCOC2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 3.154 3 2 -7.04607390240841 1985994 C#CCN1C=C(C2=CC=CC=C21)C=NNC(=O)COC3=CC=CC4=C3N=CC=C4 1 4.396 4 2 -10.2098060154575 1985913 CC\1=C(C2=C(/C1=C\C3=CC(=C(C=C3)OCC(=O)O)Cl)C(=C(C(=N2)N)C#N)C)C#N 1 3.783 4 3 0 -8.58619952575916 1985867 CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C 1 4.741 4 2 -6.42053223495738 1985859 CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C 1 4.346 4 4 0 -18.1833277230531 1985825 CC1=CC=C(S1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C 1 1.257 9 2 0 -21.420400111851 1985792 CC1=CC=CC=C1N2CCN(CC2)C3=NC(=O)/C(=C\C4=CC=CS4)/S3 1 4.477 3 1 -2.4793273577117 1985772 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)CCNC(=O)OC(C)(C)C)C 1 3.039 4 4 0 -27.7981170833574 1985588 COC(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl 1 3.626 2 3 0.236650522280825 1985541 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(N=C(S2)NS(=O)(=O)C3=CC=CC=C3)C 1 2.119 4 5 0 -10.6123389125932 1985463 CC(C)(C)OC(=O)NCCCCCC1=NN=C(O1)SCC2=CC=CC=C2 1 4.247 3 3 -24.5456299533952 1985450 CCCCSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1N 1 3.218 5 1 -10.3642912591053 1985423 COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCCN4CCOCC4 1 1.362 6 2 0 0.481991361635834 1955829 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 2.135 4 3 0 -14.1965814663735 1955761 C1=CC=C(C=C1)C(=O)NN=CC2=C(N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O)Cl 1 3.207 3 4 0 -5.42724060371916 1955694 CC1=CC=C(C=C1)C2=C(SC(=N2)C3=CN=CC=C3)CC(=O)O 1 3.449 2 2 2.16049685065194 1985257 CCSC1=NN=C(O1)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C 1 3.865 4 3 0 -16.995894123743 1985179 CCC[C@H](C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)NS(=O)(=O)C4=CC=C(C=C4)C 1 5.022 1 6 0 -23.8698778226985 1985178 COCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=CC=C4)N 1 2.452 5 2 0 -15.7470917311324 1985081 C1=CC=C(C(=C1)C(=O)NNC(=O)CCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S)O 1 3.221 3 4 0 -15.7440210163236 1985079 CCOC(=O)NN=CC1=CC(=C(C=C1)OCCSC2=CC=C(C=C2)Cl)OC 1 4.833 2 4 -7.57433851166631 1985027 CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O 1 4.825 2 4 -15.3293236606716 1955536 C1COCCN1C(=S)SCC(=O)NC2=NC(=O)C3=CC=CC=C3S2 1 3.393 3 3 -13.6004025819001 1955462 CC(C)CC(=O)NN1C(=O)C2=CC(=C(C=C2NC1=S)OC)OC 1 2.653 3 4 0 -12.9464836715351 1955363 CC1=NN=C(S1)SCC(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.861 5 5 0 -25.9176627996625 1955345 C1=CC=C(C(=C1)/C=C/C=NN2C(=NNC2=S)C3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 4.666 5 2 0 2.91467525991513 1955247 CC(C)C[C@@H](C(=O)O)NC(=O)CCN1C(=O)C2=CC=CC=C2N=N1 1 2.337 4 4 0 -35.2625680028071 1955243 C1CCC(CC1)C2=NNC(=S)N2N=C/C=C/C3=CC=CC=C3 1 4.569 4 0 1.51120835764388 1955175 COC1=CC=CC=C1NC(=S)N2CCC3=CC(=C(C=C3C2)OC)OC 1 4.657 2 3 -16.7141596526838 1955105 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CCN3C(=O)C4=CC=CC=C4N=N3 1 2.955 5 4 0 -32.696795412216 1955100 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4)C(=O)O 1 2.394 6 3 0 -10.0524938084103 1984933 CCCCOC1=CC=C(C=C1)CCC(=O)NN=CC2=CC=CO2 1 3.881 2 3 -9.86142227279417 1984900 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4C=CC(=NC(=O)C5=CC=CS5)C=C4 1 3.962 5 4 0 -10.1949685139355 1984887 C1COCCN1CCCNC(=S)NC(=O)C2=CC=C(C=C2)Br 1 2.548 3 2 -12.4520102298513 1984877 C1=CC=C(C=C1)C2=CSC3=NC(=O)/C(=C/C4=CC=C(O4)C5=CC(=CC=C5)Cl)/C(=N)N23 1 5.43 3 2 -2.21722293427026 1984828 C1=CC=C(C=C1)CSC2=NSC3=NC(=O)C(=C(N32)N)C=C4C=CC(=O)C=C4 1 3.954 4 2 -10.2703829125753 1984807 COCCN(CC1=CC=CC=C1)CC(=O)OC2=CC=CC=C2P(=O)(OC)OC 1 2.298 1 6 0 -3.22558501257636 1984796 C1CCN(C1)C(=O)COC2=CC=C(C=C2)C=NNC(=O)C(=O)NC3CC3 1 0.573 4 4 0 -15.4600006135679 1984783 CC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC5=C(C=C4)OCO5 1 3.071 8 4 0 -24.9102385000399 1984766 COC1=CC=C(C=C1)OCC(=O)NNC(=O)C(=O)NC2=C(C=CC(=C2)OC)OC 1 0.924 3 7 0 -13.5604192280475 1984746 C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4C(=O)O)/SC2=O 1 4.559 1 5 -3.29455610206089 1984741 CC1=C(C=C(C=C1)N\2C(=C(C(=O)/C2=C\C3=CC=CO3)C(=O)OC)C)C 1 4.002 1 4 -6.88521711319315 1984730 C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)C4=NC=CN=C4 1 2.697 6 1 0 -18.6684484993665 1955086 CCOC(=O)C(=NNC1=CC=CC=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 5.394 2 3 -3.72526571482583 1954978 CC1=CC=C(C=C1)C2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2CC5=CC=CO5 1 4.329 3 3 -1.58163573527289 1954976 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)NC3=CC=CC=C3OC 1 3.501 3 4 0 -7.65239491170297 1954975 C1CCC2=C(CC1)SC3=C2C(=O)N(C(=O)N3CC(=O)NC4=CC=CC=C4)CC5=CC=CO5 1 4.004 3 4 0 -17.0746536128808 1954933 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NN=CC3=CC=CC=N3)OC 1 2.713 4 4 0 -12.9389724831503 1954901 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)/C=C\C4=CC=CS4 1 2.974 2 3 -4.26712141622836 1954884 CSC1=NSC(=N1)SCC(=O)NC2=NC=C(C=C2)Br 1 3.077 4 1 -12.6120369287595 1954860 C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NNC(=N2)N 1 1.925 5 2 0 -7.14734270314134 1954840 COC1=CC=CC(=C1)C2=NOC(=N2)CCC(=O)NCCC3=CC=CC=C3 1 2.792 3 3 -9.04386693658491 1954801 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3 1 4.34 3 4 0 -11.7752307317324 1954752 COC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)NCC3=CC=NC=C3 1 3.075 3 3 -16.1298993160924 1954694 COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)NCC3CCC(CC3)C(=O)O 1 2.459 1 6 0 -19.8123717504141 1954687 CN(C)CCCNC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CCC4=CC=CC=C4 1 4.762 4 1 -12.6883018463615 1954604 C=CCN1C=C/C(=C\C=C(C#N)C#N)/C2=CC=CC=C21 1 2.911 3 0 -4.12458325211081 1954514 C1CC2=C(C1)N=C3N=C(NN3C2=O)NCC4=CC=CC=C4Cl 1 2.004 5 1 -7.01545848539716 1954558 CCC1=NC2=C(C(=O)C3=C(O2)C=C(C=C3)OC)C(=O)N1CCC4=CC=CC=C4 1 3.79 2 4 -2.98711618304187 1954542 CCOC(=O)C1=CN=C(NC1=O)N2CCN(CC2)C3=CC=CC=C3 1 1.248 4 3 0 -6.68643844605153 1954529 CC1=CC(=C(C=C1)C)OCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC 1 5.287 2 3 -1.05792351103773 1984708 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCCSCC3=C(C=CC=C3Cl)Cl 1 4.8 1 3 -10.5960795799228 1984701 CSC1=CC=C(C=C1)/C=C(/C(=O)NN)\NC(=O)C2=CC=CC=C2 1 1.838 3 2 0 -12.1860612578881 1984660 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4 1 2.423 6 2 0 -13.5554114965474 1984529 CCCCCNC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 4.082 1 2 -12.4301220490458 1984626 C1=CC2=C(C=C1S(=O)(=O)NCCO)C(=C(C#N)C#N)C3=C2C=CC(=C3)S(=O)(=O)NCCO 1 -7.4e-002 4 6 0 -10.4236113360829 1984619 COC(=O)NN=CC1=CC(=CC(=C1OCC2=CC=CC=C2)Cl)Cl 1 4.558 2 3 -2.36091578278539 1984500 CCCCCCN1C(=O)/C(=C/C2=C(NN=C2)C3=CC=CC=C3)/SC1=S 1 5.542 3 1 -6.4452960704291 1984543 CCOC1=CC=C(C=C1)C2=NC(=C(O2)NCC=C)C#N 1 2.842 3 2 -4.30759221858144 1984462 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)NCCO 1 1.562 3 4 0 -10.7851729554237 1984496 CC(C)CCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=CS4)N 1 3.911 5 1 -18.2321714105639 1954377 COC1=CC(=CC(=C1)N=C2C3=C4C(=CC=C3)CCCN4C2=O)OC 1 3.211 2 3 -3.06030421713337 1954415 CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NCC3=CC=CO3 1 1.88 3 4 0 -23.2685028522714 1954387 CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)Cl 1 2.783 4 5 0 -12.6699304041711 1954331 C/C(=C\C1=CC=CC=C1)/C=NN2C(=NNC2=S)C3CCCCC3 1 5.016 4 0 -5.67842197387555 1954324 C1CCC(CC1)C2=NNC(=S)N2N=C/C(=C\C3=CC=CC=C3)/Cl 1 4.938 4 0 -4.93258179342833 1954239 CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NNC(=O)CC4=CC=CC=C4 1 2.906 6 1 0 -0.61627945282565 1954219 CC1=CC(=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2)OC)OC)C 1 5.646 2 2 -16.6192319619099 1954203 CC1=C(SC=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC 1 3.309 1 3 -15.793938775023 1954156 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3C(=NNC3=S)C4=CC=C(C=C4)C(C)(C)C 1 5.802 6 0 -0.129167752948355 1954075 C1CN(CCN1CC2=CC=CC=C2Cl)CC(=O)NN=C/C=C/C3=CC=CO3 1 2.985 4 2 0.267608371887563 1954071 CCCOC1=CC=CC=C1C2=NC3=C(N2)C(=O)NC(=O)N3C 1 2.269 4 3 0 -3.63894420489459 1954069 CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC(=NO3)C 1 3.647 2 2 -5.27576224230008 1954059 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C 1 1.735 3 6 0 -20.0625990901335 1954045 CN1CCN(CC1)C(=O)/C(=C/C2=CN(C3=CC=CC=C32)C)/NC(=O)C4=CC=C(C=C4)OC 1 2.641 4 3 0 -11.3022097560821 1954017 CC(C)C1=C2COC(CC2=C3C4=C(C(=O)N=CN4)OC3=N1)(C)C 1 2.267 3 3 -9.5135569504623 1953924 COC1=CC=C(C=C1)S(=O)(=O)NC2=C(NC3=CC=CC=C32)C(=O)O 1 2.516 2 5 0 -4.09791733396103 1953839 C1=CC=C(C(=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)O 1 5.648 5 3 0 -9.607146350415 1953787 CC1=NN(C(=C(C1=O)C2=CC=CC=C2Cl)NC(=O)C3=CC=CS3)C4=CC=CC=C4 1 5.234 3 2 -3.38186852490791 1953751 CC1=CC=C(C=C1)SCC2=CC(=O)C3=C(N2)NN(C3=O)C4=CC=CC=C4 1 3.077 3 2 -2.83563200777792 1953735 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CC4=CC=CC=C4)C5=CC=C(C=C5)OC 1 4.644 3 3 -0.131260682584803 1953727 C1=CC(=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)Br 1 2.408 5 3 0 -13.2889403438581 1953703 C[C@@H](C(=O)N[C@@H](C1=CC=CC=C1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2 1 2.576 4 4 0 -23.5768894893599 1953653 CCN1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=C(O3)C)/S2 1 2.255 3 2 -3.83950262429093 1953619 COC(=O)CCC(=O)N1CC2(CN(C1)CN(C2)C(=O)CCC(=O)OC)[N+](=O)[O-] 1 -1.145 4 8 0 -15.9599008008211 1953613 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)OC)/C(=O)NCC3=CC=NC=C3 1 2.897 3 3 -17.9518980066792 1953474 CCCCCCC1=C(N=C(NC1=O)SCC(=O)O)O 1 3.102 2 4 -18.1817012871687 1953475 C1=CC=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3 1 2.759 5 1 -6.58124050724963 1953490 COC1=CC=CC=C1/C=C/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)CCO 1 2.837 2 5 0 13.3685589324407 1953598 CCCC1=C2CCCCC2=C3C4=C(C(=NC=N4)Cl)OC3=N1 1 4.824 3 1 1.69196073846157 1953555 CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N2CCOCC2 1 0.956 2 4 0 -14.9936201570576 1953519 C1=CC=C(C=C1)/C=C/2\C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 2.866 0 4 -4.54595965483307 1953445 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=NC=CN=C3 1 1.452 6 1 0 -11.4550466688532 1953420 CN(C)C(=O)CCCC1=NC(=NO1)C2=CC=C(C=C2)Cl 1 2.231 3 2 -2.50722381443858 1953405 CC1=CC(=CC(=C1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4N3C)C5=CC=CC=C5)C 1 5.626 3 2 -0.573217133396025 1953381 CC1=NN(C(=C1C=NNC(=O)C2=CC=C(O2)CNC3=CC=CC=C3)Cl)C4=CC=CC=C4 1 4.516 5 2 0 -2.97980267794597 1953345 CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2C5=CC=CC=C5 1 6.054 3 2 2.52775734918499 1953340 CC1=CC(=CC=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)CN5CCCCC5 1 4.129 9 3 0 -23.6146674007862 1953333 C1COCCOC2=CC(=C(C=C2OCCO1)Br)Br 1 2.85 0 4 -1.43858479092981 1953251 CCCC1=C2COC(CC2=C3C4=C(C(=NC=N4)OCC)OC3=N1)(C)C 1 3.77 3 3 -7.0039911068977 1953248 CC(=O)OC1=CC2=C(C=C1)OC=C(C2=O)C=NC3=CC(=O)NC(=S)N3 1 1.538 3 5 0 -6.31277756030115 1953183 CC1=C(C=C(C=C1)C2=CC=C(O2)C=NNC(=O)C3=NNC(=C3)C)Cl 1 4.057 4 2 -4.43905443390446 1953182 CCCCN1C(=C(C2=C1C=CC(=C2CN3CCCC3)O)C(=O)OCC)C 1 4.3 2 3 -2.97528237349927 1953094 C/C(=C\C1=CC=CO1)/C=NN2C(=NNC2=S)C3=CC=CC=C3 1 3.949 4 1 -4.0348827852227 1953043 C1=CC(=CN=C1)C2=NNC(=S)N2N=C/C=C/C3=CC=CO3 1 2.352 5 1 -0.499107997314381 1952961 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.542 2 6 0 -1.90879070764438 1952926 CCC1=C(C2=C(C(=CC=C2)Br)N=C1C)SCCC#N 1 4.51 2 0 -6.09294013017581 1952894 CC1=CC=CC=C1C2=NOC(=N2)CCC(=O)NCCC3=CC=CC=C3 1 3.295 3 2 -12.6655137004393 1952877 CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)C 1 2.408 2 5 0 -11.8848592758183 1952833 CCCCCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)OC)N 1 3.23 2 3 -5.09307328075417 1952830 C1=CC=C(C=C1)N2C(=O)C3=CN=C(N=C3NC2=O)SCC4=CC=C(C=C4)Cl 1 4.418 4 2 -6.83045020271967 1952823 CCOC(=O)C1=CN=C2N=C(NN2C1=O)COC3=CC=CC=C3 1 0.312 4 4 0 -8.16729489403446 1952786 CC1=CC2=NC(=O)/C(=C/C3=CC=CS3)/C(=N)N2O1 1 1.537 3 2 0 -6.54834353263856 1952761 COC1=C(C2=C(C=C1)C=NN(C2=O)C3=CC=C(C=C3)OC(F)(F)F)OC 1 4.722 2 4 9.52742136213008e-002 1952758 C1=CC=C(C(=C1)NC2=NN=C(S2)C3=CC=NC=C3)Cl 1 2.655 4 0 1.3467994247773 1952690 CCCC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1CC4=CC=C(C=C4)OC 1 4.103 3 3 -5.1930406159584e-002 1952659 C1=CC=C2C(=C1)C(=CC=N2)NC(=O)CSC3=NN=C(S3)C4=CN=CC=C4 1 2.442 5 1 -16.7981425033739 1952637 COCC1=NC(=NO1)C2=C(C=CC(=C2)Br)OC 1 1.949 2 3 0 1.67460230166879e-002 1952623 CCCN1C=NC2=C1C=CC(=C2)NCC3=CC=CC=C3O 1 3.574 3 1 6.72629507370406e-002 1952618 C1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CN=CC=C4 1 1.666 9 2 0 -23.7894672477133 1952616 C1=CC2=NSN=C2C(=C1Cl)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.821 4 4 0 -0.987611962541411 1952606 COC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4 1 3.448 3 3 -4.45773263157345 1952592 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4F)F)C(=O)O 1 4.163 4 4 0 -12.155391981005 1952572 C1=CC(=CN=C1)C(=O)NN=C/C=C\C2=CC=C(C=C2)[N+](=O)[O-] 1 1.787 4 3 0 -4.00601091522342 1952570 CC1=CC(=NC(=N1)NC(=NC(=O)C(C)(C)C)NC2=CC=C(C=C2)F)C 1 3.626 5 1 -6.39897921398557 1952556 C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)[N+](=O)[O-])NCCCO 1 2.609 4 3 0 8.35409957778869 1952472 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)CSC3=NN=C(S3)SCC4=CC=C(C=C4)Cl 1 5.536 6 1 0 -13.8056727487785 1952370 CC1=NC(=CC=C1)NC(=S)NCCC2=CC=CC=C2 1 4.088 3 0 -7.00088532401579 1952303 C1CN(CCN1)CC2=NC(=O)C3=CC=CC=C3N2 1 0.256 4 1 0 -7.54860104322031 1952415 COC1=CC=CC=C1C2=NOC(=N2)CCC(=O)NC3CCCC3 1 2.29 3 3 -13.7888130866247 1952351 COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3OC)OC 1 4.027 3 4 0 -14.3593022936556 1952210 CC(C)CC(=O)NNC(=S)NC1=C(C=CC(=C1)Cl)OC 1 3.632 3 2 -9.53566729110966 1952157 CC1=C(C2=C(N1C)C=CC(=C2)OC(=O)C3=CC=CC=C3F)C(=O)OCCOC 1 3.836 1 5 -8.72273160940116 1952141 COC1=CC(=CC(=C1)C(=O)NCCNC(=O)C2=CC=CC=C2)OC 1 1.862 2 4 0 -10.7700307760067 1952075 C1=CC(=CN=C1)CNC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl 1 4.323 4 0 4.8648906247303 1952067 CCSC1=NN=C2N1C=C(C=C2Cl)Cl 1 3.365 3 0 -5.46321211561852 1952060 CC1=CC(=C[N+](=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=C(C=C4)Cl)C 1 5.781 4 2 -1.36195373988607 1952027 COC1=C(C=C(C=C1)Br)C=NNC(=O)C2=CC3=C(C=C2)N=CN3 1 2.93 4 2 -4.57962050005658 1951982 C1=CC(=CC=C1C(=O)CSC2=NN=C(S2)N)[N+](=O)[O-] 1 1.791 4 3 0 -9.72638690356558 1951785 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4Cl)C(=O)O 1 2.458 6 4 0 -10.3139211475259 1951859 CC(C)OC(=O)CC(=O)CSC1=NC2=C(CCCCC2)C=C1C#N 1 3.96 2 3 -19.9135258915919 1951892 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)NCCN)C 1 0.875 5 2 0 -6.9138347314126 1951887 CC(=O)CS/C(=C(\C(=O)OC)/C(F)(F)F)/F 1 1.864 0 3 0 -1.58593433782677 1951761 C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NCC4=CN=CC=C4 1 3.512 4 0 4.43865861019957 1951745 COCCNC(=S)NNC(=O)C1=CC=CS1 1 1.242 3 2 0 -15.0334625530431 1951731 CS(=O)(=O)C1=CC2=C(C=C1)N3C(=N)/C(=C\C4=CC=CO4)/C(=O)N=C3S2 1 2.835 3 4 0 -14.0258583473088 1951698 CC(C)(CO)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)S(=O)(=O)NC(C)(C)CO 1 0.831 2 7 0 -9.93108664431962 1951685 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N 1 1.659 5 3 0 -14.4499268568528 1951638 CCCCN(CC1=CC2=C(C(=CC=C2)C)NC1=O)S(=O)(=O)C 1 2.151 2 3 -9.50477393225562 1951620 COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)OCC4=CC=CC=C4Cl)OC 1 4.14 2 4 -4.8777312160369 1951591 CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)OC 1 4.202 3 3 -13.8456859441024 1951564 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NCCC3=CNC4=C3C=C(C=C4)Cl 1 2.784 3 3 -10.3088202835517 1951479 C/C(=C\C1=CC=CO1)/C=NN2C(=NNC2=S)C3=CN=CC=C3 1 2.798 5 1 -5.60490351483208 1951470 C1=CC=C(C(=C1)NC(=O)NC2=NN=C(S2)COC3=CC=CC=C3F)F 1 3.168 4 2 -10.9977939417811 1951440 CC1CCN(CC1)CC2=CC(=O)OC3=CC(=CC(=C23)C)C 1 4.074 1 2 -7.00220720209285 1951437 CC1=CC2=C(C=C1)N(CC3(C2)C(=O)OC(OC3=O)(C)C)C 1 2.258 1 4 -4.15923098535237 1951413 CC(C)C1=CC=C(C=C1)OCC(=O)NCCO 1 1.528 1 3 0 -8.2058280725912 1951394 CC1=C(C=CC=C1NC(=O)CSC2=CC=C(C=C2)Cl)C3=NC4=C(O3)C=CC=N4 1 4.654 3 2 2.0061978954275 1951386 CCCCC1=C2CCCC2=C3C4=C(C(=O)N=CN4)SC3=N1 1 3.871 3 1 -7.22515988394678 1951381 CCOC1=C(C=C(C=C1)C2=NOC(=N2)CCCC(=O)N)OC 1 1.47 3 4 0 -6.44344429205686 1951375 CCCCCC(=O)NC1=NN(N=N1)CCC 1 2.434 5 1 -12.4622201727552 1951332 CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NC(=O)C4=CC=CO4 1 4.714 4 4 0 -14.2766214478168 1951301 CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=C(N(N=C4C)C5=CC=CC=C5)C 1 5.83 7 1 0 -12.0191407101124 1951292 CCCCCC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1C4CCCCCC4 1 5.763 3 2 -4.06698060971701 1951290 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCCC4=C2NCCOC 1 3.641 4 1 -6.24255616972002 1951273 CN(C)C1=CC=C(C=C1)NC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC 1 2.983 4 3 0 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C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)SCC(=O)NN=CC4=CC=CC=C4OCC(=O)O 1 4.591 4 4 0 -17.8632708220253 1947346 CC1=CC=C(C=C1)C(=O)NCCNC(=O)C2=CC=CC=C2 1 2.381 2 2 -7.11080953326934 1947381 COCCN1C(=NC2=NC3=CC=CC=C3N=C21)C4=CC=CS4 1 3.157 4 1 -10.3965957281025 1947375 CCCCN1C(=C(C2=C1C=CC(=C2CN3CCOCC3)O)C(=O)OCC)C 1 3.527 2 4 -5.72835709857944 1947246 C1=CC=C(C(=C1)CSC(=NC2=CC(=CC=C2)F)NC#N)F 1 4.339 3 0 -1.00326658519369 1947235 CCN(CC)CCNC(=O)C1=C(C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)C 1 4.512 3 2 -2.4808015505629 1947178 COCCNS(=O)(=O)C1=CC2=C(C=C1)C3=C(C2=NO)C=C(C=C3)S(=O)(=O)NCCOC 1 0.55 3 7 0 -11.5432329324159 1947146 C1=CC=C(C(=C1)C2=NC(=O)/C(=C/C3=CC=CO3)/N2)Br 1 2.809 2 2 -3.33613513388017 1947139 C1=CC=C(C=C1)CCNC(=O)CCC2=NC(=NO2)C3=CC=CC=C3 1 2.809 3 2 -11.2413875357199 1947124 CC1=CC=C(C=C1)C2=NC3=NC(=O)C=C(N3N2)NC(=O)C(C)C 1 2.376 5 2 0 -10.1527885486588 1947033 CC1=CC=C(C=C1)NC(=O)CSCC#N 1 1.648 2 1 0 -10.8847080085252 1946956 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCN3CCOCC3 1 1.886 3 4 0 -11.1605915776796 1946934 CCOC(=O)CN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC4=CC=CC=C4O3 1 3.833 3 4 0 -4.44862324601027 1946933 CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC)OC)/NC(=O)C3=CC=CS3 1 3.978 2 4 -19.4109994840418 1946922 CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)/C(=C/4\C(=O)N=C(S4)N5CCOCC5)/C2=O 1 4.035 3 3 -2.54398612430485 1946914 CC1(CC2=C(CO1)C=C3C4=C(C(=NC=N4)NCCN5CCOCC5)OC3=N2)C 1 1.336 5 3 0 -9.07341471888919 1946866 C1=CC=C(C=C1)C2=NC(=S)NN2C3=NC4=CC=CC=C4S3 1 4.304 4 0 3.49315623085275 1946861 CC1=CC2=C(C=C1)NC(=C2NC(=O)NC3=CC=C(C=C3)OC)C(=O)OC 1 3.432 3 4 0 -2.43715309831696 1946733 COC(=O)C1=CC=CC2=C1NC(=O)C2=O 1 0.525 1 4 0 -5.24958494388223 1946732 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F 1 3.861 5 3 0 -18.4404466585925 1946706 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NNN=N3)CC(=O)O 1 1.275 4 5 0 -13.8909934268873 1946701 CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=NN=C(S3)C(C)C)C 1 3.239 3 3 -10.3004844153441 1946667 C1=CC=C(C=C1)C2=NC3=C4C=CC=CC4=NC(=S)N3N2 1 3.251 4 0 -2.89039296076643 1946665 CCCOC1=CC=C(C=C1)CSC2=NNC(=N2)C 1 3.353 3 1 -4.98708451821131 1946642 COC1=C(C=C2CN(CCC2=C1)C(=O)COC3=CC=CC=C3C#N)OC 1 2.583 2 4 -14.9371633371801 1946611 CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)C2CC2 1 3.561 3 1 -8.11032765773269 1946605 CCCC1=C2CCCCC2=C3C4=C(C(=O)N=CN4)OC3=N1 1 3.312 3 2 -3.82520882699582 1946601 COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCCC2)OC 1 3.331 2 4 -18.5437306623598 1946594 C1=CC(=C(C=C1N2C(=NNC2=S)C3=NNC(=O)C=C3)Cl)F 1 2.638 5 1 -5.00102474626576 1946472 CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=CC=CC3=CC=CC=C32 1 3.547 2 3 -13.2055129535217 1946433 C1=CC=C2C(=C1)C=CC=C2C3=NC(=NO3)C4=CN=CC=C4 1 2.902 3 1 7.10640202957864 1946404 COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCCO 1 2.422 3 2 2.30813001442458 1946386 CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)C)N4CCOCC4 1 3.705 4 1 -2.9805895576841 1946238 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCN3CCN(CC3)C4=CC=CC=C4F)OC1=O 1 2.43 4 4 0 -1.13336511746435 1946288 CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)Cl 1 3.038 3 5 0 -11.7410544835075 1946247 CCCC(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC=CS3 1 3.923 2 2 -8.54468516215226 1946219 C1OC2=C(O1)C=C(C=C2)/C=C/C=NNC(=O)C3=CN=CC=C3 1 1.661 3 3 0 -3.57838674977894 1946188 COC1=CC=CC=C1C2=NOC(=N2)C3=CC=CO3 1 2.524 2 3 1.12061171940186 1946186 CCC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1C4=CC=C(C=C4)F 1 3.862 3 2 0.375755599445822 1946167 CC1=C(C=C(C=C1)N(CC2=CC3=C(C=CC(=C3)OC)NC2=O)S(=O)(=O)C)C 1 2.869 2 4 -10.1172234781118 1946166 CCCCN(CC1=CC2=CC=CC=C2NC1=O)S(=O)(=O)C 1 1.665 2 3 0 -10.8328201529349 1946131 C1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC(=CC=C3)CSC4=NN=NN4C5=CC=CC=C5 1 4.217 9 0 0 -13.3392167151945 1946056 CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=N3)OC1=O 1 1.105 3 4 0 -5.16783340757091 1946012 CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC(=C4OC)Cl)Cl 1 3.64 9 3 0 -23.4697764639827 1945993 COCCN1C(=O)C2=CC(=C(C=C2NC1=S)OC)OC 1 1.978 2 4 0 -7.4324545934967 1945991 COC1=CC=CC=C1N2C=NC3=C2C=CC(=C3)NCC4=CC=CC=N4 1 3.568 4 1 -3.09828905075436 1945989 CC1=CC=CC(=C1)C2=NOC(=N2)CCC(=O)NC3CCCC3 1 2.792 3 2 -4.92498671664833 1945982 C1CN(CCN1CC2=NC(=NC(=N2)NC3=CC4=C(C=C3)OCCO4)N)C5=CC=CC=C5F 1 2.736 7 2 0 0.637388828698423 1945951 CC1=CC(=NO1)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)OC 1 2.48 3 4 0 -15.972314539994 1945906 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=C(N=CC=C3)Cl 1 2.932 2 2 0.4539704748025 1945860 CC1=N/C(=C\C2=CC=C(C=C2)OC(C)C)/C(=O)N1C3=CC=C(C=C3)C(=O)O 1 3.123 2 4 -10.0268971070592 1945804 COCCNC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=O 1 1.999 1 3 0 -9.88024878395572 1945759 COC1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)N3CCOCC3)OC 1 2.416 2 4 -6.02075310756535 1945662 CC(C)C1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCOCC4 1 2.04 9 3 0 -26.6305268686033 1945645 CC(C)OC1=CC=C(C=C1)CC(=O)NNC(=S)NC2=CC=C(C=C2)Br 1 4.767 3 2 -8.77393165915706 1945634 CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C=N3)CCN4CCCCC4 1 2.786 4 2 -1.8250004017116 1945627 C1=CN(C(=O)NC1=O)CCCBr 1 6.6e-002 2 2 0 -7.00493152609547 1945626 CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)NC4=CC=C(C=C4)Cl)C 1 4.733 7 1 0 -3.60992031694142 1945606 CCN1C(=NN=C1SCC(=O)NN=C/C=C/C2=CC=CO2)C3=CC=CC=C3 1 3.217 5 2 0 -8.62114838459668 1945599 CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 4.185 3 4 0 -12.7674905270397 1945591 C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3Cl 1 3.986 4 1 -12.3037286765159 1945582 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=S)NC3CCCC3 1 3.173 4 2 -13.6222233421883 1945566 CSC1=NSC2=NC(=O)/C(=C/C3=COC4=C(C3=O)C=C(C=C4)O)/C(=N)N21 1 2.908 4 4 0 -6.06463253661984 1945551 CC1=CC(=C(C=C1)C)NC(=S)NCCC2=CN=CN2 1 3.281 4 0 -6.89243630587469 1945541 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C)S(=O)(=O)N(C)CCO 1 2.033 5 3 0 -9.23259716919521 1945540 CC1=CC2=NC(=O)/C(=C\C3=CC=CN3CCOC4=CC=CC=C4)/C(=N)N2O1 1 2.807 4 3 0 -8.33093132244406 1945534 CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CN=CC=C4 1 2.522 9 3 0 -23.9417571817122 1945509 COC1=C(C=C(C=C1)Cl)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 3.77 3 3 -12.9027166535289 1945452 CC1=C(C=CO1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3OC 1 2.081 3 4 0 -17.9258933870155 1945435 CC1=CC=C(C=C1)C2=NC3=C(C(=O)C4=C(O3)C=C(C=C4)OC)C(=O)N2CCOC 1 3.238 2 5 0 -3.18592785716574 1945367 C1COCCN1CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)Br 1 1.594 9 3 0 -26.5486476197696 1945308 COC1=C(C=C(C=C1)Br)C2=NOC(=N2)C3=CC=NC=C3 1 2.726 3 2 4.56599440225648 1945167 C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(S2)C3=CN=CC=C3)C(=O)O 1 1.886 4 3 0 -15.9120248682816 1945094 CC1(CC2=NC3=NC(=NN3C=C2C(=O)C1)C(F)(F)F)C 1 2.271 4 1 -9.69030784982763 1945075 CCCCOC1=C(C=C(C=C1)C2=CSC3=NCCN23)[N+](=O)[O-] 1 3.036 3 3 -4.83541500401709 1945070 C1=COC(=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F 1 2.274 3 3 -6.84907919022784 1944955 CC1=CC(=NC(=N1)NC2=NNC(=N2)COC3=CC4=CC=CC=C4C=C3)C 1 3 6 1 0 7.57221069271125e-002 1944951 CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C/C=C/C4=CC=CC=C4)O 1 4.186 2 3 4.21770887963554 1944947 CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=O)C3=CC(=CN=C3)Br 1 3.69 3 4 0 -5.04330169510788 1944911 CC(C)CC1=C2CCCC2=C3C4=C(C(=NC=N4)NCCCN5CCOCC5)OC3=N1 1 3.51 5 2 0 -8.4610893199622e-002 1944908 C1=CSC(=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC(=O)O 1 2.554 0 5 -9.19708831714613 1944900 COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3OC 1 1.562 2 5 0 -15.0340863194822 1944855 C1=COC(=C1)/C=C/C=NNC(=O)C2=CC(=CN=C2)Br 1 2.036 3 2 -1.27464190159738 1944711 CC1=CC=CC(=C1)C2=NOC(=N2)CCC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.969 4 3 0 -6.03095573365409 1944626 CC1=NN(C(=C1)NC2=NN=NN2C3=CC=CC=C3)C4=CC=CC=C4 1 2.805 7 0 0 -11.3608899999016 1944599 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C3=CC=CC=C3C(=O)O 1 3.239 2 5 0 -6.18519555994367 1944515 CCOCCCN1C=NC2=C(C1=O)N(C3=C2C=C(C=C3)F)C 1 2.232 3 2 -2.14870920685313 1944452 COC(=O)C1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)Cl)C(=O)OC 1 4.47 2 4 -11.1745110079163 1944429 CCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CO5)N 1 3.681 5 3 0 -15.2595090415931 1944421 C1CN(C2=CC=CC=C21)CC3=C(N=NN3C4=NON=C4N)C(=O)NN=CC5=CC=CC=C5F 1 3.11 9 2 0 -30.7846422390148 1944394 CC(C)C(=O)NC(=S)NC1=C(C=CC2=NSN=C21)Cl 1 4.023 4 1 -7.78780157105147 1944215 CC(C)[C@@H](C(=O)O)NC(=O)CCCN1C(=O)C2=CC=CC=C2N=N1 1 2.27 4 4 0 -38.4132647147861 1944152 C1=CC=C(C=C1)CC(=O)NN=C/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 2.972 3 3 -3.06617083957798 1944130 CC1CCN(CC1)CC2=CC(=O)OC3=CC(=C(C=C23)C)C 1 4.074 1 2 -5.32900052348888 1944110 C1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2 1 4.061 2 1 -2.36460515274076 1944037 CC1=C(C=C(C=C1)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4)C 1 5.32 4 0 -6.99903365945671 1944013 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)F)F)OC 1 4.452 5 5 0 -21.8043590297449 1944007 CC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 4.333 4 3 0 -17.3872538219501 1943992 C1COCCN1C(=O)C2=CC=CC=C2C3=NC(=NO3)C4=CC=CC=C4Cl 1 2.911 3 3 -5.64723049248011 1943929 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32)[N+](=O)[O-] 1 2.826 4 4 0 -5.02237750441109 1943921 CC1=C(C(=CC=C1)NC2=NC(=O)/C(=C/C=C/C3=CC=CO3)/S2)C 1 4.614 2 2 4.21513615707928 1943896 C1=CC=C(C=C1)N2C(=NN=C2SCCNS(=O)(=O)C3=CC=CC=C3)C4=CC=CO4 1 3.939 4 3 0 -8.35394069701023 1943824 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)NCCCO 1 3.201 3 1 11.9782011637704 1943809 COC1=C(C=C(C=C1)C=NNC(=O)C2=CN=CC=C2)CN3CCC4=CC=CC=C4C3 1 3.248 4 2 -13.330384681079 1943770 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4CC4)C5=CC=CC=C5 1 3.761 6 2 0 -18.660744323758 1943761 CCCNC(=O)COC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C 1 2.62 3 3 -13.9854037494904 1943710 CCCCC1=C2CCCC2=C3C4=C(C(=NC=N4)SCC(=O)NCC5=CC=CO5)SC3=N1 1 5.414 4 2 -21.7035252911074 1943682 CC(=O)N(CCCC1=CC=C(C=C1)C(C)(C)C)CCCN(C)C 1 3.542 2 1 -1.27120815058198 1943581 COC1=CC(=CC(=C1)C(=O)NC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)OC 1 4.777 2 4 -1.1716486706893 1943500 CC(=O)N/C(=C/C1=CC2=C(C=C1)OCO2)/C(=O)NCC(=O)O 1 -0.42 2 6 0 -18.3316992378749 1943375 C1=CC=C2C(=C1)C=C(O2)C(=O)NN=CC3=CC=NC=C3 1 2.127 3 2 -0.60923662931642 1943367 C1C2=C(C=CC(=C2)S(=O)(=O)NCC(=O)O)C3=C1C=C(C=C3)S(=O)(=O)NCC(=O)O 1 0.278 2 8 0 -7.93810056422328 1943319 C1=CC(=C(C=C1NC2=NC3=C(S2)C(=O)C=C(N3)O)F)Cl 1 3.263 3 2 0.372282575979722 1943312 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCOC)C4=C(C=C(C=C4)Cl)Cl 1 4.275 3 3 0.345945381670227 1943301 CCCC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1C4=CC=C(C=C4)F 1 4.318 3 2 1.33142531252511 1943295 CCCCOC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C 1 2.464 8 3 0 -26.7942317206168 1943237 CCOC1=CC=C(C=C1)CN2C(=O)CC(=O)N(C2=O)S(=O)(=O)C3=CC=C(C=C3)OCC 1 2.764 2 7 0 -10.1229102257733 1943201 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/2\C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O 1 3.255 2 6 0 -6.68377966024242 1943195 CC1=CC(=NN1)C(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)Br 1 3.654 4 2 -2.60975797084634 1943193 CC1=CC(=O)N2C(=N1)N=C(N2)NCC3=CC=CC=C3F 1 0.947 5 1 0 -4.99986700024129 1943171 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=C(S3)Br 1 4.73 4 0 -2.64251759773362 1943165 CC1=C(C=CO1)C2=NN=C(O2)SCC(=O)N(C)C 1 0.727 3 3 0 -14.1765268644912 1943119 COCCN1C(=NC2=C(C1=O)C(=O)C3=C(O2)C=C(C=C3)OC)C4=CC(=C(C(=C4)OC)OC)OC 1 2.702 2 8 0 -7.61295859378991 1943061 CN(C)CCCNC(=O)/C=C/C1=CC2=C(C=C1)OCO2 1 1.475 2 3 0 -8.41816991757915 1943004 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=N5 1 4.331 5 3 0 -11.8712878321853 1942971 C/C(=C\C1=CC=CO1)/C=NNC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3 1 4.419 4 2 -17.2643029557177 1942924 COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCN3CCOCC3)OC 1 1.935 3 4 0 -9.65623753258864 1942918 CN1C(=N/C(=C/C2=CC=CO2)/C1=O)C3=C(C=C(C=C3)Cl)Cl 1 3.595 2 2 0.468194195038601 1942911 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCC4=CC(=C(C=C4)OC)OC)C5=CC=C(C=C5)OC 1 4.933 3 5 0 -3.22237465901459 1942907 C1=CC=C(C=C1)C(=O)NCCC(=O)OCN2C(=O)C3=CC=CC=C3C2=O 1 1.656 2 5 0 -15.6914908203304 1942844 CC(C)C1=NC2=C(C(=O)C3=CC=CC=C3S2)C(=O)N1CCOC 1 2.791 2 3 -3.63471388841387 1942830 CCOC1=CC2=C(C=C1)C3=C(C2=NNC(=O)C4=CC=CC=N4)C=C(C=C3)OCC 1 3.959 3 3 -10.8895394470515 1942812 CC(=O)N(C(=O)C)N1C(=O)C2=CC(=C(C=C2NC1=S)OC)OC 1 1.268 3 5 0 -7.85422172530958 1942789 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCC4=C2NCCOCCO 1 2.645 4 2 -4.41279151028814 1942686 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CS4 1 3.972 3 2 -4.02022914333417 1942671 CNC(=O)C(=O)NN=CC1=CN=CC=C1 1 -0.778 4 2 0 -7.84582959965065 1942647 COC1=CC(=C(C=C1C=NNC(=O)C2=CC3=C(C=C2)N=CN3)OC)OC 1 2.149 4 4 0 -10.7489267078424 1942636 COC1=C(C=C(C=C1)C2=NOC(=N2)CCCC(=O)NC3CCCCC3)OC 1 3.186 3 4 0 -11.1856737899616 1942632 C1C(=O)N(C(=NN=CC2=CC=CO2)S1)CC3=CC=C(C=C3)F 1 3.341 3 2 -7.10520120964425 1942568 COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=N2)N)C3=CC4=CC=CC=C4O3 1 3.336 5 3 0 4.42917406834767 1942522 CCCC(=O)C1=CC=C(O1)CP(=O)(OCC)OCC 1 2.112 0 5 -8.86726327252161 1942516 CCCCC1=NN=C2N1C3=CC=CC=C3N=C2N(C)S(=O)(=O)C4=CC=C(C=C4)OC 1 3.991 5 3 0 -11.1223461638621 1942504 C1=CC(=CC=C1CSCC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)Cl)Cl 1 4.651 4 1 -10.2871952118294 1942384 CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 0.62 3 4 0 -12.1447038492654 1942358 CC1=CC=C(C=C1)NC(=O)N2CCC(CC2)C(=O)N 1 1.112 3 2 0 -5.29400245024612 1942357 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.36 3 4 0 -15.9944867174644 1942339 C1=CC(=CC=C1NC(=O)NC2=NN=C(S2)CSC3=CC=C(C=C3)Cl)Cl 1 4.644 4 1 -5.81679326668179 1942336 CC1=NC(=NC2=CC3=C(C=C12)OCO3)NC(=O)C4=CC=C(C=C4)Cl 1 3.409 3 3 -3.24653874474786 1942295 CC1=C(C(=O)N2C(=N1)N=C(N2)C3=CC=CO3)CC4=CC=CC=C4 1 2.156 4 2 -5.14672278740895 1942187 CCN(CC)CCCN1C(=O)C2=CC(=C(C=C2NC1=S)OC)OC 1 3.008 3 3 -6.60293617054921 1942162 CCOC(=O)/C(=C/C1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)/C#N 1 4.044 3 2 -3.14521040984397 1942142 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC=C)NS(=O)(=O)C5=CC=CC=C5 1 5.239 4 4 0 -14.2000807521916 1942111 CC1=CSC2=NC(NC(=O)N12)(C(F)(F)F)C(F)(F)F 1 2.568 3 1 -4.15522730518232 1942034 CN(C)CCN1C2=C(C3=C(S2)CCCCC3)C(=O)N(C1=O)C4=CC=C(C=C4)F 1 4.523 3 2 -11.5717632973344 1941989 C1COCCN1C2=C(C=C(C=C2)NCC3=CC=C(C=C3)F)C(=O)O 1 2.907 2 3 -3.4808747124044 1941971 COC1=C(C=CC(=C1)CO)OCC2=CN=C(C=C2)Cl 1 2.499 1 3 -4.30667880282715 1941952 CC1=CC=C(C=C1)NC(=O)CN2CCC3=CC(=C(C=C3C2)OC)OC 1 3.068 2 3 -11.7005256091547 1941916 CC(C)CC1=C2CCCCC2=C3C4=C(C(=O)N=CN4)OC3=N1 1 3.564 3 2 -1.45546857231239 1941902 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)ON=C(CC3=CC=C(C=C3)[N+](=O)[O-])N 1 3.845 3 4 0 -3.49884757608046 1941859 CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)CC3=CC=CS3 1 4.487 3 1 -11.8418600635642 1941792 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCC4=CC=CC=C4)C5=CC=C(C=C5)OC 1 4.966 3 3 3.67055277971524e-002 1941714 CC1=CC(=C(C=C1)C(C)C)OCCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 4.301 1 5 -9.18022973272717 1941664 CCCCC1=C2CCCC2=C(C(=N1)Cl)C#N 1 4.35 2 0 -3.52985315294198 1941652 C/C(=C\C1=CC=CO1)/C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 3.784 4 2 -6.37278803716852 1941616 CC1=CC=CC(=C1)C2=NOC(=N2)CCCC(=O)N3CCOCC3 1 1.74 3 3 0 -3.64027544378489 1941609 CN1C2=C(C(=O)N(C1=O)C)C(N=C(N2)C3=CC=C(C=C3)Cl)(C(F)(F)F)C(F)(F)F 1 3.404 4 2 -4.280691416437 1941549 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NN=CC3=CC=CC=C3F 1 2.771 4 1 -1.55712185731314 1941538 CC(=O)NC1=NN(C(=N1)NC(=O)C(Cl)(Cl)Cl)C2=CC=CC=C2 1 2.354 5 2 0 -5.3154969156686 1941494 C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)CC4=CC=C(C=C4)Cl 1 4.163 3 2 -5.32619072747573 1941482 COC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)NCCC3=CC=CC=C3)OC 1 2.776 3 4 0 -14.3624775866601 1941459 CC1=C(C(=CC=C1)OCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC)C 1 5.287 2 3 -2.80087055029273e-002 1941457 CC1=NC2=NC=NN2C(=C1)NC3=CC(=CC(=C3)OC)OC 1 2.579 5 2 0 -12.1589811897547 1941409 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(=O)C4=CC=C(C=C4)Cl 1 4.42 3 3 -7.34954935499431 1941329 COC1=CC=CC(=C1)N=C2C3=C4C(=CC=C3)CCCN4C2=O 1 3.227 2 2 5.03621770796792e-003 1941298 COC1=CC=CC=C1CNC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CS3)C#N 1 3.409 5 2 0 -22.1742894263513 1941265 CC(C)OC1=C(C=C(C=C1)CN=C(N)N=C(N)N)Cl 1 1.364 5 1 0 -1.37616326310325 1941210 C1CC2=CC=CC=C2N(C1)CC(=O)N3CCC(CC3)C(=O)N 1 1.263 3 2 0 -15.7374458490783 1941171 CC1=CC(=NO1)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Cl 1 3.161 3 3 -13.737349640263 1941169 CC1=C(C2=NC(=CC(=O)N2N1)CC(=O)OC)C3=CC=CC=C3 1 0.914 3 3 0 -9.63316163977594 1941168 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCC4=CC=C(C=C4)OC)C5=CC=CC=C5 1 4.966 3 3 0.377004016261549 1941012 COCCCNC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31 1 2.948 2 2 -7.31962863761402 1940983 COC1=CC(=CC(=C1OC)OC)C(=O)OCCNC(=O)C2=CC=CC=C2 1 2.492 1 6 0 -14.5273226830988 1940973 C1COCCN1CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CC=C4Cl 1 1.51 9 3 0 -25.1554337548602 1940966 C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=NC=C3)/SC2=S 1 3.48 2 1 -4.29619181442033 1940964 C1=CC=C2C(=C1)C(=O)N(N=N2)CCCC(=O)NCCC(=O)O 1 1.191 4 4 0 -34.9491073667187 1940871 CCC1=C(N2C(=C(C(=N2)C)C3=CC=CC=C3)N=C1C)NC4=CC=C(C=C4)NC(=O)C 1 4.338 5 1 -8.07429343346881 1940783 C1=CC=C2C(=C1)C=CC(=N2)C3=NNC(=S)N3C4=CC=CC=C4Cl 1 4.957 4 0 -1.19254239075864 1940749 C=CCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)O)/SC1=NC4=NC=CS4 1 2.201 4 4 0 -13.8616592023218 1940681 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCC4=C2NC5=CC=CC=C5 1 5.057 4 0 -1.40171254827479 1940632 CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=C3)[N+](=O)[O-] 1 3.495 5 3 0 -13.634238398824 1940545 CC1=CC(=NN1)C(=O)NN=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.465 5 4 0 -3.55665793381477 1940391 CCN(CC)C1=CC=C(C=C1)NC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC 1 3.681 4 3 0 -9.9140678752573 1940329 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3 1 4.388 3 4 0 -14.3296841588658 1940326 CN(C)CC1=C(C=CC2=C1O/C(=C\C=C\C3=CC=CC=C3)/C2=O)O 1 3.435 1 3 12.3182035982277 1940241 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCC4=C2NC5=CC=C(C=C5)F 1 5.262 4 0 -0.240149922387949 1940210 COC1=C(C=C(C=C1)Cl)NC(=S)NCCN2CCOCC2 1 2.986 3 2 -9.81291637182755 1940203 COC1=CC2=C(C=C1)C(=O)C3=C(O2)N=C(N(C3=O)CCC4=CC=CC=C4)C5=CC=CS5 1 4.74 2 4 -3.65113529752976 1940186 COC1=CC2=C(C=C1)C(=O)C3=C(O2)N=C(N(C3=O)CCC4=CC=CC=C4)C5=CC=CO5 1 4.182 2 5 0 -0.224256892946479 1940137 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCNC(=O)C(=O)NC(C)C 1 0.96 4 3 0 -17.8904446442479 1940119 C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)/C=C/C3=CC=CO3 1 2.892 2 5 0 -10.9244422766413 1940080 C1COCCN1CCCN2CNC(=NC2)NC3=NC4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5 1 3.708 7 1 0 2.55203511958689 1940053 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)C(=O)NN)C 1 0.885 4 3 0 -6.46398097177243 1940032 COC1=CC=CC=C1OCCNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.183 1 3 -15.0339172407694 1939939 CCCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)CC 1 3.332 2 2 -2.32357256959504 1939843 COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.618 5 7 0 -7.14235476380746 1939777 COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC 1 1.562 2 5 0 -11.7887800853824 1939731 CC1=CC=CC=C1NC(=O)CC2=NN=C(S2)NC(=O)NC3=CC=CC=C3F 1 2.914 5 2 0 -16.2607434883297 1939718 C1=CC=C(C(=C1)C(=O)O)NCC2=CSC=C2 1 2.514 1 2 -2.5384386495166 1939672 C1=CC(=CC=C1CC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 3.515 5 3 0 -9.33100980397777 1939603 COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)OC 1 2.903 2 5 0 -26.092261319927 1939573 COC1=CC(=NC(=N1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F)OC 1 2.579 5 3 0 -4.68831146843742 1939491 C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Cl 1 4.328 4 1 -11.5932628123885 1939445 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCC4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC 1 4.949 3 4 0 0.1936144873716 1939424 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C4N=CC=CN4N=C3 1 1.146 5 1 0 -3.68153005480259 1939399 CCCCSCC1=CC=C(O1)C(=O)O 1 2.81 0 3 -6.24364055831999 1939378 CN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC=CC=C3 1 1.27 4 2 0 -5.7067253310625 1939327 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)OC)F)C(=O)O 1 4.542 4 4 0 -10.3719676548552 1939285 CC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN=C/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 4.958 5 3 0 -12.4457508545715 1939271 COC1=CC=C(C=C1)CN2C(=O)CSC2=NN=CC3=CC=CS3 1 3.677 3 2 -10.037069911763 1939249 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CO4 1 3.63 4 5 0 -11.7477290583534 1939244 COC1=CC=CC=C1NC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)F 1 3.145 4 2 -13.0056872542264 1939173 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCOC)C4=CC(=CC=C4)Br 1 3.695 3 3 -0.462330121045477 1939154 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(N(C4=NC5=CC=CC=C5N=C34)C6=CC=C(C=C6)OC)N 1 3.236 7 3 0 -21.4037135172915 1939125 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCOC)C4=CC=C(C=C4)Cl 1 3.611 3 3 -4.144349534247e-002 1939105 CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC=CC=C4)Cl 1 3.807 7 0 0 3.07503212955886 1939021 CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)OC)OC)/C(=O)NC2=S 1 3.706 2 6 0 -12.4657677093766 1939012 CCN(CC)C1=C(C2=NON=C2C(=C1)Cl)N 1 2.177 4 1 1.6645745784438 1938996 CCC1=CC=C(C=C1)NC2=NC(=O)/C(=C/C3=CC(=C(C(=C3)OC)O)OC)/S2 1 4.446 2 4 -5.09998176947384 1938978 CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C=N3)CC4=CC=CC=N4 1 2.378 4 2 -2.01217231163501 1938883 CC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CCC4=CCCCC4 1 4.354 3 1 -3.08417311315887 1938806 CCOC1=CC2=C(C=C1)NC(=C2)C(=O)NN=CC3=CC=C(C=C3)OC 1 3.584 3 3 0.566313499429856 1938687 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C(=C3)OC)OC)OC)OC1=O 1 1.984 2 7 0 -7.44820808794267 1938673 C1COCCN1CCNC2=NC3=CC=CC=C3N2 1 1.049 4 1 0 -0.515685362934252 1938641 CC1=CC=C(C=C1)OCCCN2C=C(C3=CC=CC=C32)C=NNC(=O)OC 1 4.342 3 3 -7.30480953521212 1938572 C1=CC=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)CNC(=O)COC5=CC=CC=C5 1 3.528 5 2 0 -12.0946812963551 1938521 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=C(C=C4)[N+](=O)[O-] 1 2.711 4 5 0 -15.3111362232868 1938468 C/C(=C\CSC1=NN=C2N1C3=CC=CC=C3C(=O)N2N)/Cl 1 2.249 5 1 -11.8249615559053 1938403 COCCCNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=C(C=C3)F 1 2.333 4 3 0 -6.91565131366567 1938384 CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)NN=CC1=CC=CC2=C1N=CC=C2 1 2.651 4 3 0 -19.1673258391334 1938348 C1CC1NC(=O)C(=O)NCC2=CC=NC=C2 1 -0.35 3 2 0 -12.1387511583448 1938300 CCOC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=NC=C3 1 2.614 5 3 0 -16.0589676743688 1938268 CC1=CC=C(C=C1)NC(=O)C(=O)NCC2(CCOCC2)C3=CC=C(C=C3)OC 1 2.499 2 4 -19.246462810723 1938169 C1=CC(=CN=C1)C(=O)NC(C(F)(F)F)(C(F)(F)F)NC2=CC=C(C=C2)F 1 3.743 3 1 -9.7624207643852 1938113 CC1=NC(=CC=C1)C(P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5 1 7.969 1 2 -3.86572589561167 1937957 CCOCCN(C1=CC=CC(=C1C)C)C(=O)C2=CC=CC=C2Cl 1 4.675 1 2 -8.36641452841306 1937845 CCOP(=O)(C(=C(Cl)Cl)NC(=O)C1=CC=CC=C1)OCC 1 2.483 1 4 -7.999013891735 1937724 CCN1C(=NN=C1SCC(=O)NN=C/C=C/C2=CC=CO2)C3=CC=C(C=C3)OC 1 3.201 5 3 0 -8.46220395090084 1937691 CC(C)C1=CC=C(C=C1)C2N3CC4(CN2CC(C3)(C4(C)C)[N+](=O)[O-])[N+](=O)[O-] 1 3.795 4 4 0 -5.13490080143884 1937672 CCN(CC)C(=S)SCC(=O)NC1=NC(=O)C2=CC=CC=C2S1 1 4.403 3 2 -11.961434910246 1937627 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=C/C=C/C4=CC=CC=C4[N+](=O)[O-] 1 4.772 5 4 0 -19.0360366590877 1937622 C1=CC=C(C=C1)C2=CS/C(=C(/C#N)\C(=O)N)/N2C3=CC=CC=C3 1 3.026 3 1 -4.2518253996552 1937572 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C(S3)N 1 0.37 6 2 0 -24.2001572578529 1937568 CCCCCCCCNC(CO)(CO)CO 1 1.204 1 3 0 -2.7473823918042 1937565 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CCN3CCSCC3 1 2.409 3 4 0 -6.20095732305882 1937560 CC1=CC(=O)N=C(N1)SCC(=O)NC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.8 4 3 0 -12.8210969911506 1937553 CC1=C(C=CC(=C1)NC(=O)C2=CN=CC=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 3.33 3 3 -7.23107079641093 1937509 CN1C=C(C2=CC=CC=C21)/C=C(/C(=O)N3CCOCC3)\NC(=O)C4=CC(=C(C=C4)OC)OC 1 2.355 3 5 0 -20.1855467211888 1937508 CCC(=O)C1=CC(=C(C=C1)OCC=C)OC 1 2.82 0 3 -13.8447412019235 1937479 CN1C=CC=C1CC(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.203 4 3 0 -9.7237095083288 1937328 C1=CC(=CN=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 2.1 5 3 0 -16.2174502006472 1937185 CC1=CC(=NN1)C(=O)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl 1 2.669 6 1 0 -5.49096848938075 1937132 C1=CC=C(C=C1)COC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3Cl 1 5.053 2 4 -11.7502354803704 1937128 C1=CC=C(C=C1)/C=C/C=NN2C(=NNC2=S)C3=CC=NC=C3 1 2.956 5 0 2.48987007734073 1937056 C1=CC(=CC=C1/C=C/C=C/C=NNC(=O)N)F 1 1.842 3 1 0 1.48209413972768 1937032 C1CCC(CC1)N(CCC#N)S(=O)(=O)C2=CC=CC3=NSN=C32 1 2.912 4 2 -9.76009938783741 1937015 CC1=CC=C(C=C1)S(=O)(=O)N(C2=NC(=NC(=N2)N(C)C)Cl)OC 1 2.411 5 3 0 -4.06528161001715 1936981 CC1=CC=CC2=C1N=C(C=C2NC3=CC=C(C=C3)C(=O)N4CCCCC4)C 1 4.666 3 1 0.160373990554257 1936966 COC1=CC=CC=C1OCCNC(=O)C2=CC(=C(C=C2Cl)F)F 1 3.729 1 3 -8.57824307487429 1936948 CCOC1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)C4=CC=CC=C4)N)N)C#N 1 4.211 4 2 -6.82759007675262 1936921 CCOC(=O)C(=O)NC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.496 2 4 1.8487129678863 1936911 CC1=C(C=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=C(N(N(C5=O)C6=CC=CC=C6)C)C)N)C 1 4.225 7 2 0 -20.2873628758574 1936909 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4)C(=O)O 1 1.793 6 4 0 -11.1974652417719 1936886 C1=CC=C(C=C1)C2=NNC(=S)N2N=C/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 4.001 5 2 0 0.449747156000712 1936855 COC1=CC=CC=C1N2CCN(CC2)C(=S)NC(=O)/C=C/C3=CC=CC=C3 1 4.528 3 2 -7.62324982570739 1936794 COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC 1 4.025 5 6 0 -22.9491659358523 1936789 CC(C)CCNC(=O)C(=O)NCC1=CC=CC=C1 1 1.891 2 2 0 -14.6470663993383 1936697 CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)N(C)C)[N+](=O)[O-] 1 3.657 6 3 0 -16.1235809603523 1936649 CCCCC1=C(C2=CC=CC=C2N=C1C)SCCC#N 1 4.674 2 0 -4.52361319624347 1936626 COC1=C(C(=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3)OC)OC 1 2.149 4 4 0 -7.62609334226844 1936617 CC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN=C/C=C/C3=CC=CO3 1 4.459 4 2 -12.3070541116786 1936615 CC1(CC2=C(CO1)C=C3C4=C(C(=NC=N4)SCC(=O)NCC5=CC=CC=C5)SC3=N2)C 1 3.917 4 2 -27.3384038043005 1936614 CC1=CC(=NN1)C(=O)NN=C/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 1.956 5 3 0 -5.39519007206896 1936567 C1=CC=C(C=C1)CNC(=O)CC2=NN=C(S2)NC(=O)NC3=CC=CC=C3 1 2.229 5 2 0 -17.1079996986087 1936560 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F)OC 1 4.247 5 5 0 -21.9930955501523 1936517 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/C#N 1 4.658 2 5 0 -10.7018095125091 1936466 C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)N=CC5=CC(=C(C=C5)Cl)[N+](=O)[O-] 1 4.964 4 2 -0.469581362634437 1936414 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCC3=CC=CO3 1 2.641 2 4 -18.6535972399702 1936331 C1CC2=C(C1)SC3=NC(=NC(=C23)N)SCC(=O)NCCCN4CCOCC4 1 1.843 5 2 0 -20.1335867554506 1936258 CC(C)OC1=C(C=C(C=C1)C=NNC(=O)CSC2=CC=CC=N2)OC 1 3.158 3 3 -15.1160348181034 1936382 C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)NC4=CC=CC(=C4)C(=O)NCCO 1 4.102 4 2 3.60479463209024 1936367 CC1=CC=CC(=N1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4 1 3.47 4 1 -8.66445231151755 1936365 CCOC(=O)C1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=C(C=C3)Cl)/S2 1 3.749 2 3 -6.240302790031 1936310 COC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=NC5=CC=CC=C5N4)[O-] 1 2.906 4 4 0 -4.87627137658669 1936299 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)O 1 3.977 2 3 0.433749128582948 1936134 CC1=CC(=O)C2=C(N1CC(=O)NC3=CC=C(C=C3)Br)C(=CC=C2)OC 1 3.448 2 3 -6.28906362973172 1936127 CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC(=CC=C3)[N+](=O)[O-])[O-] 1 1.873 3 5 0 -8.45859651472711 1936126 CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=NC5=CC=CC=C5N4)[O-] 1 3.255 4 4 0 -5.64249452829471 1936118 CCN1C(=C(C(=N1)C)C=NNC(=S)NC2=C(C=C(C=C2)Cl)Cl)C 1 4.841 5 0 -4.7674155455736 1936052 CC1=CC=C(C=C1)C(=O)N(C(=O)C2=CC=C(C=C2)C)NC3=NC4=CC=CC=C4S3 1 5.252 3 2 0.383294454121306 1935984 CCCOC1=C(C=C(C=C1)C=NNC(=O)CSC2=CC=CC=N2)OC 1 3.305 3 3 -14.8710520362212 1935947 C1CCC(CC1)N2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)NS(=O)(=O)C6=CC=CC=C6 1 5.994 4 4 0 -14.3205807109027 1935926 CCOC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)O 1 4.906 3 3 -3.77969228637787 1935917 C1=CSC(=C1)C=NNC(=O)CN2C(=NN=N2)N 1 -0.407 7 1 0 -16.9003042630844 1935860 COC1=C(C=C(C=C1)Br)C=NNC(=O)CN2C(=NN=N2)N 1 0.372 7 2 0 -13.1280353362614 1935843 C1=CC=C(C=C1)/C=C/C=NNC(=O)CN2C(=NN=N2)N 1 0 7 1 0 -10.9363024110814 1935816 C1=CC(=C(C=C1NC(=S)NCCO)Cl)Cl 1 3.301 2 1 -6.59487256329945 1935806 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=CC=CC=C4N3 1 4.593 4 3 0 0.854420441849218 1935776 CC(C)NC(=O)/C(=C/C1=CN(N=C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)/NC(=O)C4=CC=CC=C4 1 4.789 5 4 0 -10.8411890553492 1935758 C1=COC(=C1)C=NNC(=O)CN2N=C(N=N2)N 1 -0.241 7 2 0 -8.04191037401345 1935648 CNC(=O)C(=O)NC1=C(NC2=CC=CC=C2C1=O)O 1 -0.169 3 4 0 -10.5568964099191 1935539 C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)NN=CC4=CC=C(C=C4)C(=O)O 1 3.816 2 4 -3.00877485600175 1935506 CCOC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C32 1 3.527 1 2 0.42303087786604 1935478 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=NC=C(C=C2)Cl 1 3.297 3 4 0 -9.66805497543996 1935420 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CO4 1 3.001 3 5 0 -1.79921298541346 1935148 C1=CC=C(C=C1)/C=C/C=NNC(=O)CN2N=C(N=N2)N 1 0.725 7 1 0 -3.07796357746742 1934982 C1=CC=C(C=C1)N(CCO)C(=O)CCCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S 1 4.584 2 3 -9.78909648794953 1934941 CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=O)CC3=CC=CC=C3 1 4.303 3 4 0 -2.96303107343967 1934924 COC1=CC2=C(C=C1)C3=C(C2=NNC(=O)C4=CC=CC=N4)C=C(C=C3)OC 1 3.261 3 3 -9.7904367773791 1934861 CCCCCCC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(N(C4=C(C3=O)CCCC4)CC(C)C)O 1 5.575 4 4 0 -16.3288938695987 1934851 COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3)O 1 4.372 1 3 -1.94026998902993 1934835 CCCCOC(=O)CCC1=C(NN=C1C)C 1 2.377 2 2 -8.32642912213057 1934822 C1=CC(=CC=C1C=NNC(=O)CC(=O)NN=CC2=CC=C(C=C2)F)F 1 2.464 4 2 -4.68057848953643 1934798 CC1=CC=C(C=C1)C(=O)N/C(=C/C=C/C2=CC=CC=C2)/C(=O)NCC3=CC=CO3 1 3.714 2 3 -14.0571291651631 1934797 CC1=CC=C(C=C1)C(=O)N/C(=C/C=C\C2=CC=CC=C2)/C(=O)NCC3=CC=CO3 1 3.714 2 3 -14.0571291651631 1934749 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl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l)C3=CC=CC=C3 1 2.624 7 3 0 -6.12843558033752 1934348 C1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC4=C(C=C3)C=NN4)/C#N 1 3.449 5 0 -7.78245303570463 1934247 COCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4)NC(=O)C5=CC=CC=C5Cl 1 4.717 5 3 0 -21.1973286630617 1934236 C1=CC(=CC=C1NC(=O)CCl)SC2=CC=C(C=C2)NC(=O)CCl 1 3.254 2 2 -3.55207847512662 1934222 C1=CC=C2C(=C1)N=C(S2)NC(=O)C(=O)NCC3=CN=CC=C3 1 1.362 4 2 0 -8.69661339555395 1934156 CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC#N)C(C)(C)C 1 3.743 1 4 -6.89679967579243 1934081 CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4 1 4.151 6 2 0 -8.74911083594353 1934053 CCN1C(=C(C(=N1)C)C=NNC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)Br)C 1 3.288 7 1 0 -11.9810140234018 1934041 COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)OC3=CC=CC=C3)OC 1 3.577 2 6 0 -5.86946000682669 1933967 C1CCCC(=C2C(=O)NC(=O)S2)CC1 1 2.809 1 2 -0.716054775690001 1933943 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=C3OC 1 4.07 2 4 -6.82849517789394 1933899 C1C(=O)N(C(=NN=CC2=CC=CO2)S1)C3=CC=CC=C3 1 3.128 3 2 -7.21720249319336 1933793 C1=CC(=CC=C1/C=C(/C=NNC(=O)C(=O)NC2=CC=C(C=C2)C(=O)O)\Cl)[N+](=O)[O-] 1 2.202 4 6 0 -11.1908008727166 1933725 CCOC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl 1 3.874 0 3 -9.58544288586361 1933616 CC1=C(C(=O)C2=C(N1)C=CC3=CC=CC=C32)C/C=C/Cl 1 3.658 1 1 -3.46543177394558 1933480 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=C(C(=C(C(=C4F)F)F)F)F 1 5.844 3 1 -3.76249372087444 1933460 COC1=CC(=C(C(=C1N)Br)Br)Br 1 3.312 1 1 1.98506774517852 1933457 C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)Cl 1 1.988 3 2 0 -1.69473862418542 1933444 CCOP(=O)(C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])OC2=CC=CC=C2 1 3.914 2 7 0 1.88144697699408 1933435 CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)COC3=C(C(=C(C(=C3F)F)F)F)F)C 1 4.778 0 6 -10.6215186231124 1933432 C1C2CC3CC1CC(C2)(C3)C(=O)NCCCO 1 1.452 1 2 0 -5.76880698815463 1933398 C=CCNC1=NN=C(S1)C2=CC=NC=C2 1 1.031 4 0 0 -5.89330810620265 1933321 COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CN=CC=C2)OC 1 1.958 4 4 0 -11.7863113757878 1933294 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=C(C=C4)Br)C(=O)O 1 2.542 6 4 0 -10.0364787287771 1933277 COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2O 1 2.415 3 4 0 -5.19245740778448 1933256 C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)CC2=CC=CS2 1 3.129 3 2 -9.8709241129608 1933248 C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=CC=C(C=C3)F 1 4.661 3 1 -4.81406159077133 1933244 C1=COC(=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)Br 1 2.817 3 3 -7.19561727020771 1933225 C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CN=CC=C2 1 1.523 4 2 0 -9.61274179919768 1933208 C1=CC(=CN=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F 1 2.196 4 2 -6.79377634679128 1933203 CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=C(C=C3)Cl 1 3.794 4 2 -11.6548368697308 1933194 C1=CC(=CN=C1)C(=O)NNC(=S)NC(=O)C2=CC=CS2 1 1.476 4 2 0 -10.0491026881737 1933179 C1=CSC(=C1)CC(=O)NNC(=S)NC(=O)/C=C/C2=CC=CS2 1 3.083 3 2 -11.1182438295289 1933177 CCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CO2 1 2.925 3 4 0 -7.70174790391347 1933169 C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)CC3=CC=CS3 1 5.259 3 1 -24.3178328330476 1933161 COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CN=CC=C2 1 1.506 4 3 0 -9.57741712090536 1933137 C1=CC=C(C(=C1)C(=O)NNC(=S)NC(=O)C2=CC=CO2)O 1 1.826 3 4 0 -4.40632147193262 1933112 C1=CC=C(C(=C1)C(=O)NNC(=S)NC(=O)C2=CN=CC=C2)O 1 1.281 4 3 0 -6.86004623536009 1933111 CCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CS2 1 3.483 3 3 -8.69274822829291 1933110 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)CC2=CC=CS2 1 3.113 3 3 -10.0145522784958 1933096 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=C(C=C4)F)C(=O)O 1 1.999 6 4 0 -9.68994064879726 1933094 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=CO2 1 2.52 3 4 0 -6.04830370659176 1933074 COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)CC2=CC=CS2)OC 1 3.096 3 4 0 -13.8822440728829 1933071 C1=CC=C(C(=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F)O 1 2.637 3 3 -4.06761417317509 1933044 COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CS2 1 2.61 3 3 -8.38151386059811 1933039 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CN=CC=C2 1 1.974 4 3 0 -7.91861958140067 1933037 CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=S)NC(=O)C3=CC=C(C=C3)F 1 5.618 2 3 -9.91229443340223 1933036 COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CS2 1 3.078 3 3 -8.2381406338018 1933034 COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CO2 1 2.052 3 4 0 -7.39051353621867 1933027 COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CN=CC=C2 1 1.506 4 3 0 -9.57741712090536 1933024 C1=CC(=CC=C1CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)Cl 1 2.359 5 3 0 -10.5556626078133 1933021 C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=CO2 1 2.536 3 3 -5.90467554105675 1932984 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=CS2 1 3.078 3 3 -7.97200763581988 1932975 COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CO2 1 2.052 3 4 0 -7.97392242483722 1932961 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)OC 1 3.359 4 6 0 -25.7828709589009 1932946 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4F)C(=O)O 1 1.999 6 4 0 -11.5066924498514 1932933 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=C(C=C4)OC)C(=O)O 1 1.777 6 5 0 -10.8147838834066 1932924 C1=CC=C(C(=C1)C(=O)NNC(=S)NC(=O)C2=CC=CS2)O 1 2.385 3 3 -5.39732179631207 1932917 C1=COC(=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CS2 1 2.057 3 3 -11.9054479189975 1932912 CC1=CC(=NC(=N1)NC(=NC(=O)C2=CC=CC=C2OC)NC3=CC=CC=C3)C 1 3.522 5 2 0 -9.52362910433635 1932907 CN(C)CCCNC(=O)C1=NNC(=O)C=C1 1 -0.672 4 2 0 -14.8751301500463 1932904 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=C(C=C4)F)F)C(=O)O 1 2.204 6 4 0 -9.36136622416819 1932902 C1=CC(=CN=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F 1 1.728 4 2 0 -8.45257388629597 1932898 COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OC 1 2.64 3 4 0 -7.36192364404842 1932894 C1=CSC(=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl 1 3.326 3 2 -8.18861106423966 1932860 C1=CC(=CN=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl 1 2.222 4 2 -9.65133550328769 1932841 C1COCCN1CCN2C=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3CCN6CCOCC6 1 1.324 7 3 0 -11.9728328200456 1932790 CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=O)/C(=C\C4=CC=CS4)/S3 1 4.477 3 1 -3.3819394476211 1932780 C1CC2=CC=CC=C2N(C1)/C=C\3/C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4 1 2.879 3 3 -6.78659818693771 1932779 C1CC2=CC=CC=C2N(C1)/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4 1 2.879 3 3 -6.78659818693771 1932740 CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)NC4=CC=C(C=C4)NC(=O)C 1 2.592 4 4 0 -15.3145660989611 1932659 C1=CC=C2C(=C1)C(=O)N(C(=N2)CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)O 1 3.963 3 4 0 -7.21540251253209 1932637 COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 4.573 3 2 -10.548623797087 1932613 CC1=CC(=C(N1C2=CC=C(C=C2)O)C)/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CO4 1 2.76 3 5 0 -4.37809956715859 1932603 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCC#N 1 2.028 2 2 -9.22468895639434 1932592 COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC=CC=C4 1 4.119 2 3 -15.9213553515805 1932508 CCN1C2=C(C=C(C=C2)NC(=O)C3=COC(=O)C=C3)C4=CC=CC=C41 1 3.116 2 3 -4.1275928726855 1932497 C1CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3Br)N(C1)C(=O)C4=CC=CC=C4 1 4.884 2 2 -13.4818372748426 1932478 CN1C(=NN=C1SCC(=O)NN=CC2=CC=CC=N2)C3=CC=CC=C3 1 2.391 6 1 0 -10.1266671419916 1932468 C1=CC=C(C=C1)CNC(=S)N(CCC#N)CC2=CC=CC=C2 1 4.339 3 0 -13.2423314182862 1932424 CCOC1=CC=C(C=C1)NC2=CC(=NC(=N2)C=C(C#N)C#N)NC3=CC=CC=C3OCC 1 4.544 6 2 0 0.59873189497894 1932347 CCNC1=CC=CC=C1CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3O 1 4.899 1 2 -4.31798161664955 1932325 C1CCC(C1)(CNC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3 1 4.825 1 1 -15.3027589573109 1932249 CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)CN3CCN(CC3)C(=O)C4=CC=CO4 1 2.777 3 3 -0.275947909164209 1932237 CC1=CC=CC=C1S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCC5=CC=CC=C5C4 1 4.546 4 2 -8.16860286374224 1932212 COC(=O)C1=CC=C(C=C1)C=NNC(=O)C(=O)N2CCCCCC2 1 1.807 3 4 0 -12.9356949022215 1932211 C1CCCN(CC1)C(=O)C(=O)NN=CC2=CC=CC=N2 1 1.23 4 2 0 -8.41187969764924 1932207 COC1=CC(=C(C=C1)OC)C=NNC(=O)C(=O)N2CCCCCC2 1 1.919 3 4 0 -10.3602010484728 1932201 CCOC(=O)/C(=C\C1=CC=C(C=C1)N2CCN(CC2)C)/C#N 1 2.46 3 2 -4.22114183515067 1932187 COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)OC3=CC=CC=C3 1 4.358 2 4 -1.36995180703497 1932176 C1=CC=C(C(=C1)C=NNC(=O)CNC(=O)C2=CC=CO2)OCC(=O)O 1 0.603 3 6 0 -16.128058582481 1932158 CCC(=O)N=C(NC1=CC(=CC=C1)OC)NC2=NC(=CC(=N2)C)C 1 2.525 5 2 0 -6.169985366447 1932147 CCCCCOC1=CC=C(C=C1)CSC2=NC=NN2 1 4.025 3 1 -9.65600659539056 1932143 CC1=C(CC(=O)N1CCCOC)C(=O)OC 1 -0.291 1 4 0 -11.2075522980755 1932061 CC1=CC(=NC(=N1)NC(=NC(=O)C)NC2=CC3=CC=CC=C3C=C2)C 1 2.783 5 1 -3.25848728472978 1932059 C1CCC(CC1)N2C(=O)C3=C(N=C2NN)SC4=C3CCN(C4)CC5=CC=CC=C5 1 3.787 5 1 -11.5486532918377 1932011 CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)/C=C(\C#N)/C(=O)NCC3=CC=CS3 1 3.73 4 3 0 -17.9730414128628 1931972 CCOC(=O)CC1=CSC(=N1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.876 3 6 0 -10.6853780458322 1931934 CCN(CC)CCCNC(=O)/C=C/C1=CC2=C(C=C1)OCO2 1 2.172 2 3 -9.97976315834593 1931924 CCCOC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC=C2)Cl 1 5.616 2 1 -7.00335526738143 1931910 CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NNC(=S)N 1 2.091 4 1 -8.0590194833442 1931819 CCOC(=O)CNC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 2.353 1 4 -11.7573640004191 1931770 C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)NN=CC4=CC=C(O4)C5=CC(=C(C=C5)Cl)C(=O)O 1 5.685 2 5 0 -0.443078137750374 1931756 COC1=C(C=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC=C)[O-])OC 1 2.214 2 5 0 -13.5299749803181 1931685 CCOCC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)OCC 1 2.732 2 3 -10.048585476549 1931654 CN(C)C1=NC(=NC(=N1)Cl)N(OC)S(=O)(=O)C2=CC=CC=C2Cl 1 2.589 5 3 0 -6.17761257679882 1931641 CC1(CC2=C(CO1)SC3=NC(=NC(=C23)N)SCC(=O)O)C 1 1.988 3 3 0 -19.7687155467685 1931609 CC1=CC=C(C=C1)N2C(=O)CSC2=NC(=S)NC3=CC=CC=C3 1 5.302 3 1 -8.45585749528297 1931608 COC1=CC=C(C=C1)/C=C/C(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F 1 6.079 1 2 7.2148048803364 1931576 CC1=CC=[N+](C=C1)C2=C(SC(=N2)[O-])C=NNC(=S)NC3=CC=CC=C3 1 4.635 5 1 -11.6754402242883 1931569 CC(C)CC1=NN=C(S1)NC(=O)CC(=O)NC2=CC=CC=C2C(=O)O 1 1.655 4 4 0 -11.4384874534332 1931515 C1=CC(=CC=C1C2C(=C(SC(=C2C#N)N)N)C#N)[N+](=O)[O-] 1 1.357 5 2 0 -7.03791877712057 1931511 C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4 1 4.008 2 3 -29.9362225932938 1931465 CC(C)N1C/C(=C\C2=CSC=C2)/C(=O)/C(=C\C3=CSC=C3)/C1 1 3.957 1 1 -1.1523168531445 1931308 C1=CC=C(C=C1)CN(CC(=O)NN=CC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.613 3 5 0 -15.9061411891481 1931295 COC1=CC(=CC(=C1)C(=O)NNC(=O)C(=O)NC2=CC(=C(C=C2OC)Cl)OC)OC 1 1.736 3 7 0 -16.8922956029764 1931292 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCC(CC3)CC4=CC=CC=C4 1 5.112 2 2 -5.17015974497572 1931247 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 1.309 4 7 0 -6.99152675340806 1931228 CCOC(=O)C\1=C(N(C(=O)/C1=C\C2=CC=CS2)CC(C)C)C 1 3.184 1 3 -13.8139990495461 1931211 CC1=NN(C=C1C=NNC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)Br)C 1 2.794 7 1 0 -7.94218973394513 1931190 C1CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)N(C1)C(=O)C4=CC=CC=C4 1 4.136 2 2 -14.3637429422435 1931133 CC1=C(C=C(C=C1)C(=O)NN=CC2=CC=CC=C2OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)Cl 1 5.216 2 6 0 -11.2723168675561 1931116 C1CN(CCN1C2=CC=CC3=CC=CC=C32)C4=NC(=O)/C(=C\C5=CC=CS5)/S4 1 4.899 3 1 -2.83488976816425 1931092 COC1=C(C=C(C=C1)C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)NC2=O)CN5CCCCC5 1 4.639 5 3 0 -2.03611803331144 1931076 C1CCCN(CC1)C(=O)C(=O)NN=CC2=CN=CC=C2 1 0.801 4 2 0 -9.83610161878777 1931034 COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2O)OC 1 2.505 2 5 0 -3.41226029607736 1931033 C=CCN1C(=O)/C(=C\C2=CC3=C4C(=C2)CCCN4CCC3)/C(=O)NC1=O 1 2.911 3 3 -12.4691726714757 1930993 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C3=CC(=CC=C3)OC 1 3.37 2 5 0 -7.01838503850951 1930935 CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=NC3=CC=CC=C3S2 1 4.125 4 1 -10.6302703988837 1930867 CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)C=C3C(=O)NC(=O)NC3=O 1 2.328 4 3 0 -11.5296513609446 1930858 CCN(CC)C(=O)CSC(=C(C#N)C#N)NC1=CC=C(C=C1)F 1 2.748 4 1 -14.4891416354116 1930774 CCOCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)N 1 3.889 5 4 0 -29.0708287746381 1930715 CC1=CC=C(C=C1)C(=O)NC2=NC(=O)/C(=C/C(=O)OC)/S2 1 2.474 2 4 -8.6295445667706 1930697 COCCNC(=O)/C(=C/C1=CC=CS1)/C#N 1 1.167 2 2 0 -17.9432432389601 1930669 CCN1C(=C(SC1=S)C(=O)OCC)NC(=O)C2=CC=CC=C2C 1 4.161 2 3 -11.7467263606853 1930639 CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)N4CCCC4)C(=O)N(C1=O)C 1 1.502 4 4 0 -13.2842341691703 1930628 COC(=O)CCCCCCCCC(=O)NC1=NC2=CC=CC=C2S1 1 4.384 2 3 -11.801550221607 1930611 C1=CC=C2C(=C1)NC(=N2)CON3C4=CC=CC=C4[N+](=C(C3=O)C5=CC=C(C=C5)Cl)[O-] 1 3.587 4 3 0 -2.71234942549078 1930595 CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CN4CCN(CC4)C(=O)C5=CC=CO5 1 2.305 4 3 0 -3.94291445007731 1930463 COCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)N 1 3.54 5 4 0 -27.465186935634 1930458 COC1=CC=CC(=C1OC)C=NNC(=O)C(=O)N2CCCCCC2 1 1.919 3 4 0 -10.3614460792304 1930455 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)CSCC4=CC=C(C=C4)Cl 1 4.903 3 2 -4.77467475856933 1930451 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=CC=C(C=C3)C(=O)N 1 3.492 3 3 -16.6791929811406 1930372 CC1=CC(=O)OC2=C1C=CC(=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O 1 3.073 1 5 -4.83166017728866 1930369 C1CCC(C1)(CNC(=O)C2=CC=CC=C2Br)C3=CC=CC=C3 1 4.825 1 1 -15.687497229549 1930389 COC1=CC=CC(=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC6=CC=CO6 1 3.997 5 3 0 -6.48432083170194 1930210 C1=CC=C(C=C1)N(CCC#N)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 4.036 3 1 -5.07684426038471 1930347 C1=CC=C(C=C1)CN(CCC#N)C(=S)NC2=CC=CC=C2 1 4.61 3 0 -12.0420474713636 1930229 C1CN(CCN1CC2=CC=CC=C2)C3=NC(=O)/C(=C\C4=CC=CS4)/S3 1 3.902 3 1 -2.83493792984288 1930187 CCOC(=O)COC(=O)C1=CC=C(C=C1)O 1 1.499 0 5 0 -8.36368335100936 1930165 CC1=N/C(=C\C2=CC(=C(C=C2)OCC=C)OC)/C(=O)O1 1 2.232 1 4 -15.5515976066131 1930124 CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NS(=O)(=O)C5=CC=CC=C5 1 5.95 4 4 0 -14.9538243035669 1930072 COC1=C(C=C(C=C1)Cl)C(=O)NNC(=S)NCC=C 1 2.684 3 2 -11.8683395578455 1930052 COCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4)NC(=O)C5=CC=CC=C5 1 4.053 5 3 0 -21.8725206059361 1930042 COC1=C(C=C(C=C1)C(=O)/C=C/NC2=CC(=CC=C2)OC)OC 1 2.994 1 4 -5.45409597893696 1930028 COC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 5.602 4 1 1.27424790680702 1930009 CCN(CC)C1=NC(=NC(=N1)OC2=CC=C(C=C2)C(=O)NN)OC3=CC=C(C=C3)C(=O)NN 1 1.889 8 4 0 -7.78556769286457 1930004 CN1C(=NN=C1SCC(=O)NN=CC2=CN=CC=C2)C3=CC=CC=C3 1 1.962 6 1 0 -11.4798702926425 1929996 CCCN1C(=O)/C(=C/C2=CC=NC=C2)/SC1=S 1 2.769 2 1 -6.99793719400008 1929883 CC1=C(C=C(C=C1)N2C(=O)/C(=C/C(=O)OC)/N=C2NC3=NC(=CC(=N3)C)C)C 1 2.973 5 3 0 -8.29356437878051 1929857 CCNC(=S)NNC(=O)C1=CC=CC=C1Cl 1 2.433 3 1 -10.4819090020675 1929850 CC1=CC(=NC(=N1)NC2=N/C(=C\C(=O)OC)/C(=O)N2C3=CC=C(C=C3)Cl)C 1 2.665 5 3 0 -6.25821064536881 1929849 CC1=CC(=NC(=N1)NC2=N/C(=C/C(=O)OC)/C(=O)N2C3=CC=C(C=C3)Cl)C 1 2.665 5 3 0 -6.25821064536881 1929813 CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NS(=O)(=O)C4=CC=C(C=C4)C 1 5.052 4 4 0 -15.7632941968888 1929802 CCOC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 5.951 4 1 0.508024755098997 1929796 C1CCC(CC1)NC(=S)NNC(=O)C2=CC=CC=C2Br 1 4.026 3 1 -9.58478496921826 1929763 CC1=CC(=CC=C1)N=CC=C2OC(C(O2)(C)C)(C)C 1 3.861 1 2 9.75470051441216 1929721 CCN1C(=O)/C(=C\C2=C(N(C(=C2)C)C3=C(C(=C(S3)C)C)C#N)C)/C(=O)NC1=O 1 2.883 4 3 0 -9.9856074327151 1929706 CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)O2 1 3.997 1 3 -5.14063719959882 1929655 CCOC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=C2)C)Cl 1 3.492 2 3 -4.19187190417193 1929644 CC1=CC(=NO1)NC(=O)C(Cl)(Cl)Cl 1 1.767 2 2 0 -12.8963543501798 1929592 COC1=C(C=C(C=C1)CC(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)OC 1 3.52 2 6 0 -6.71975490362265 1929444 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3 1 2.595 4 3 0 -12.7014750864331 1929432 CCNC(=S)SCCOC1=CC=CC=C1C 1 4.136 1 1 -3.7534972027906 1929382 COC1=C(C=C(C=C1)C=NN2C=NN=C2)OC3=NC(=NC=C3F)Cl 1 2.41 6 2 0 7.71560327905718e-003 1929332 COC1=C(C=C(C=C1)C(=O)N/C(=C/C2=CC=CC3=CC=CC=C32)/C(=O)NCCC4=CNC5=CC=CC=C54)OC 1 5.068 3 4 0 -23.9346739375276 1929315 CC1=CC=CC=C1OCCSC(=S)NC 1 3.787 1 1 -3.20517120553034 1929301 CCNC(=S)SCCOC1=CC=C(C=C1)C 1 4.136 1 1 -4.09191548621652 1929240 CNC(=S)SCCOC1=CC=CC=C1 1 3.3 1 1 -4.03182350092507 1929222 C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=NNC(=O)CC3=CC=C(C=C3)Br 1 4.301 2 4 -1.82477512527829 1929209 C1COCCN1CC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O 1 -1.487 3 5 0 -5.94143705808407 1929166 C1COCCN1CC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)Br 1 2.666 3 3 -3.61077039585862 1929110 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC 1 1.988 5 7 0 -18.1488464331574 1929026 CC(C)NC1=NC(=NC(=N1)Cl)N(CN2C(=O)C3=CC=CC=C3C2=O)C#N 1 2.043 7 2 0 -8.86928596426154 1929027 CC(C)NC1=NC(=NC(=N1)NCCOC2=CC=CC=C2)Cl 1 2.874 5 1 -5.72383473493332 1928808 CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.303 5 1 -8.43236660254293 1928917 CCC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CCO 1 1.876 2 2 0 -14.2931294259513 1928941 COC1=C(C=C(C=C1)CCNC(=O)CSCC(=O)NC2=CC=CC=C2)OC 1 2.363 2 4 -16.4763717766022 1928932 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CNC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.04 3 4 0 -18.1684354000948 1928929 C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=C(C4=C(S3)N=C(C=C4)C5=CC=CS5)N 1 4.595 4 1 -4.30287571871427 1928832 C1=CC(=CC=C1NC(=S)NC(=O)C2=CC=NC=C2)S(=O)(=O)N=C(N)N 1 0.509 6 3 0 -14.4689971259932 1928796 COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3Cl 1 2.242 2 4 -11.6704801494102 1928783 CCCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)CCC(=O)OC 1 2.568 3 4 0 -25.384090671953 1928781 CCOC1=C(C=CC(=C1)C=NNC(=O)CN2C(=CC(=N2)[N+](=O)[O-])C)OCC3=CC=C(C=C3)F 1 3.868 5 5 0 -18.4854755733875 1928758 CN1C=CC=C1CC(=O)NN=CC2=CC=CC3=CC=CC=C32 1 3.217 3 1 -4.84920189174998 1928661 CC(C)OP(=O)(/C(=C\NC)/Cl)OC(C)C 1 0.969 1 3 0 -3.08592134786057 1928653 CC(C)NC1=NC(=NC(=N1)NNC2=NC(=NC(=N2)NC(C)(C)C)Cl)NC(C)C 1 2.212 11 0 0 -10.0687948219782 1928638 C1=CC=C(C=C1)/C=C/C=NNC(=O)C2=CC=CC=C2Br 1 3.792 2 1 0.478358309960543 1928515 CCOP(=O)(CC1=CC=C(O1)C(C)(C)CC(=O)C)OCC 1 1.928 0 5 0 -8.13175698352624 1928495 CC1=C(N2C=C(C=CC2=N1)Br)C(=O)NN=CC3=CC(=C(C=C3)OC)OC 1 2.85 4 3 0 -5.84698909487366 1928493 C1COCCN1C(=O)CCCCCCCCN2C(=O)C3=CC=CC=C3C2=O 1 2.666 2 4 -12.2726691024285 1928491 C1=CC(=CN=C1)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 3.197 2 2 -5.53958559548708 1928487 C1COCCN1CC#CCOCCCOC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.594 1 3 -9.3537193108624 1928346 CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)OC3=NC(=NC=C3F)Cl)OC)/C#N 1 4.773 4 3 0 -12.1240882611578 1928328 CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CC=C(C=C3)Cl)C#N)SCC(=O)OC)C 1 5.082 3 3 -15.6767568156158 1928208 C1CN(CC2=CC=CC=C21)C(=O)CCCOC3=C(C=C(C=C3)Cl)Cl 1 4.635 1 2 -9.13549967617655 1928145 C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(O3)C4=CC=CC=C4C(=O)O)C#N 1 5.309 2 3 -7.92255985283545 1928177 CCCCNC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 3.626 1 2 -12.2339314058113 1928169 CN(C)CCCNC(=O)C1=CC=CC=C1OC2=CC=CC=C2 1 2.799 2 2 -6.70672951787626 1928152 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 1.957 4 5 0 -6.00352190358102 1928115 COCCCNC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 2.229 1 3 -13.5829698850347 1927956 COC1=C(C=C(C=C1)C(=O)/C=C/NCC2=CC=C(C=C2)F)OC 1 2.944 1 3 -4.76843746457904 1927942 COC1=C(C=CC(=C1)C=NN2C=NN=C2)OC3=NC(=NC=C3F)Cl 1 2.41 6 2 0 -0.190779128152957 1927860 CCOC(=O)C(=NNC1=CC=CC=C1C(=O)O)C#N 1 1.76 3 4 0 -0.346138338602603 1927851 CCC(CC)(C#N)P(=S)(C1=CC=CC=C1)C2=CC=CC=C2 1 5.873 1 0 -4.71995945912684 1927759 CCN(CC)CC(=O)C1=CNC2=C1C=C(C=C2)OC 1 2.55 2 2 9.61520701084017e-002 1927735 C1COCCN1CC(=O)NN=CC2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl 1 3.246 3 3 -4.91552672370795 1927730 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F 1 4.756 3 2 -9.95699940419561 1927680 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C#N 1 3.752 4 1 -2.60036783202781 1927671 CC1=CC(=C(C(=O)N1CC(=O)NN=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C#N)COC 1 2.203 4 6 0 -9.28257557479406 1927662 CCC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCOCC3 1 3.038 2 2 -7.08936965265812 1927661 CCC1=CC=C(C=C1)/C=C/2\C(=O)N=C(S2)N3CCOCC3 1 3.038 2 2 -7.08936965265812 1927630 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3OC4=CC=CC=C4 1 4.639 2 2 -0.46167707405804 1927485 CC1=CC(=NC=C1)N/C=C/C(=O)C2=CC=C(C=C2)OC 1 2.429 2 2 1.43019213837146 1927545 CC1=CC(=C(C=C1)NN=C2C(=O)OC(OC2=O)(C)C)C 1 2.648 2 4 -4.85013582234884 1927521 CC1=CC=C(C=C1)OCCSC(=S)NC 1 3.787 1 1 -3.54358948895626 1927420 C1=CC=NC(=C1)NC(=O)C(=O)NC2=CC=CC=N2 1 0.657 4 2 0 -3.80930024516702 1927436 COC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 3.219 3 4 0 -5.14282563628357 1927302 CCOC(=O)C1=CC=C(C=C1)N/C=C/C(=O)C2=CC(=C(C=C2)OC)OC 1 3.214 1 5 -8.9462637619632 1927297 CC1=CC(=NO1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.542 4 6 0 -15.6044863099422 1927286 CC1=NC(=CC=C1)N/C=C/C(=O)C2=CC(=C(C=C2)OC)OC 1 2.681 2 3 -4.25833104319957 1927265 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.689 3 5 0 -13.3393412093814 1927193 CC1=C(C2=CC=CC=C2N1C)C=NNC(=O)CC3=CC(=C(C=C3)OC)OC 1 3.33 3 3 -9.23788797734439 1927171 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(C4=NC5=CC=CC=C5N=C34)CCCOC)N 1 3.889 5 4 0 -27.1015461975241 1927167 CC1=CC(=NC=C1)N/C=C/C(=O)C2=CC=C(C=C2)Br 1 3.193 2 1 2.20849729300098 1927137 C1=CC=C(C=C1)NC(=O)NCCN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N 1 2.442 7 1 0 -17.2886001181758 1927046 COC1=C(C=C(C=C1)C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)F)NC2=O)CN5CCCCC5 1 4.18 5 3 0 -3.05214637909928 1926999 C1COCCN1C2=NC(=O)/C(=C/C=C\C3=CC=CC=C3)/S2 1 2.564 2 2 -0.751967330977496 1926992 CCC1=CC(=C(C=C1)O)P(=O)(OCC)OCC 1 2.469 0 4 2.21262820215451 1926944 C1=CC=C2C(=C1)C=C(O2)C(=O)NN=CC3=CC(=C(O3)Br)Br 1 3.989 2 3 -0.571134951281675 1926906 CCCCN(CCCC)C1=NC(=NC2=CC=CC=C21)C3=CC=NC=C3 1 4.596 4 0 4.60096921416849 1926851 CCOC(=O)NN=CC1=CN(C2=CC=CC=C21)CCCOC3=CC=CC=C3 1 4.205 3 3 -8.00270429859117 1926787 CC1=CC=C(C=C1)SC2=CC=C(O2)/C=C\3/C(=O)NN(C3=O)C4=CC=CC=C4 1 4.376 2 3 1.76542026788462 1926761 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC(=CC=C3)OC 1 3.254 2 5 0 -6.3585066846117 1926759 CCCCN1C(=NC2=CC=CC=C2C1=O)CN3C(=O)C4=CC=CC=C4C3=O 1 2.912 3 3 -4.86686120821547 1926706 C1=CC(=C(C=C1O)C(=O)O)NC(=O)CSCC2=C(C=C(C=C2)Cl)Cl 1 3.731 1 4 -9.72376392172997 1926631 CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)/C(=O)NC2=O 1 4.632 2 6 0 4.43740940367826 1926617 COCCNC(=O)C(=O)NNC(=O)C1=CC=CC=C1OC 1 -0.586 3 5 0 -17.5258571386557 1926598 CCCOC1=CC=C(C=C1)C(=O)NC2=CNC(=O)NC2=O 1 0.333 3 4 0 -14.2942898166922 1926597 CC1=CC=C(C=C1)OP(=O)(NC2=NC=CS2)OC3=CC=C(C=C3)C 1 4.26 2 3 -1.20820940830603 1926525 CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O 1 4.779 3 2 -10.3975026582162 1926462 COC1=CC=CC(=C1)C(=O)/C=C/NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.256 4 4 0 -8.11791798439627 1926422 CC1=CC(=CC=C1)OCCOC2=CC=C(C=C2)C=NNC(=O)CC3=NN=C(S3)N 1 2.954 5 3 0 -5.62133742090175 1926360 C1=CC=C(C(=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Br)CC(=O)O)Cl 1 3.768 1 3 -6.20726634192057 1926292 COC1=C(C=C(C=C1)CCNC(=O)NC(C(F)(F)F)C(F)(F)F)OC 1 3.285 2 3 -15.4923963406457 1926221 CCN(CC)C(=O)CSC1=NC(=C(S1)C(=O)NC2=CC=C(C=C2)OC)N 1 2.184 4 3 0 -18.2005165829899 1926154 COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NCCCO)OC 1 0.328 1 7 0 -6.85361245940129 1926076 CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-] 1 5.775 2 4 3.69095609384281e-002 1926071 C1COC2=C(O1)C=CC(=C2)N/C=C(\C#N)/C3=NC(=CS3)C4=CC=CC=C4 1 3.591 3 2 -11.5092359351236 1926033 C1=CC=C(C(=C1)C(=O)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F)Cl 1 4.881 3 1 -3.34828929772294 1926015 CC1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CCCOC 1 3.666 5 2 0 -7.1769486586036 1925990 C=CCSC1=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3 1 5.679 2 0 4.92188166310305 1925867 C1=CC=C(C=C1)CC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.817 3 4 0 -4.0228325067593 1925779 CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NN3C=NC=N3)OC)C)[N+](=O)[O-] 1 1.98 7 3 0 -12.4613562055235 1925937 CCN(CC)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3Br 1 5.355 5 0 -7.97190922376374 1925842 C1=CC=NC(=C1)C(=O)NN=C/C=C\C2=CC(=CC=C2)[N+](=O)[O-] 1 2.215 4 3 0 -4.76618975349836 1925834 CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C 1 4.531 4 4 0 -18.7678491099428 1925774 CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NCC4=CC=CO4)SC5=C3CC(SC5)(C)C 1 5.194 3 3 -36.4195547292716 1925767 C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC(=O)C(S2)(CO)CO 1 0.796 3 5 0 -4.57044554676363 1925730 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC=CS3)[N+](=O)[O-] 1 2.274 4 5 0 -12.9610106236582 1925701 COCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4)NC(=O)C5=CC=C(O5)Br 1 3.954 5 4 0 -20.5575869867867 1925602 CCC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC4=C(C=C3)OCCO4)/C#N 1 4.533 3 2 -11.2741576545874 1925508 C1=CC=C(C=C1)NC(=O)N(CCC#N)CC2=CN=CC=C2 1 1.563 4 1 0 -9.34447476821086 1925479 CCOC1=C(C=CC(=C1)C=NNC(=O)OC)OCCSC2=CC=C(C=C2)Cl 1 4.833 2 4 -8.21682142069653 1925457 CC1=CC(=C(C=C1)C)NNC(=O)C(=O)NNC2=C(C=CC(=C2)C)C 1 3.87 4 2 -3.74713957442023 1925285 CC1=CC(=CC(=C1)N\2C(=C(C(=O)/C2=C\C3=CC=C(C=C3)O)C(=O)OC)C)C 1 4.365 1 4 -6.09592745805472 1925248 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CC(=CC=C3)O 1 3.432 3 4 0 -14.5758206530751 1925201 C1=CC(=C(C=C1Cl)Cl)CSCC(=O)NC2=CNC(=O)NC2=O 1 1.206 3 3 0 -16.1554839603445 1925197 COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=S)N2)OCC3=CC=CC(=C3)C(=O)O 1 3.01 2 5 0 -14.6847380653488 1925182 CCP(=O)(C1=CC=CC(=C1)[N+](=O)[O-])C2=CC=CC(=C2)[N+](=O)[O-] 1 3.538 2 5 0 -5.30471431559694 1925154 C1COCCN1NC(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S 1 2.421 3 3 -12.5209261921286 1925067 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O 1 4.109 2 5 0 -18.4571663481114 1925065 COC1=C(C(=CC(=C1)C=NNC(=O)OC)Cl)OCC2=CC=C(C=C2)F 1 4.082 2 4 -7.15966566987082 1925031 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C=NC(=N2)[N+](=O)[O-] 1 1.47 5 5 0 -18.1344758851616 1924999 C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/C#N 1 2.551 2 3 -13.2564422903339 1924960 CC1=CC=CC=C1N2C(=O)/C(=C\C3=CC=C(O3)N4CCOCC4)/C(=O)NC2=O 1 2.502 3 5 0 -0.652435062549358 1924956 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CN=CC=C3)Cl 1 2.702 4 3 0 -15.7844165636784 1924950 CC(C)CNC(=O)C1=NN2C(=C1)N=C3C(=C2C(F)(F)F)CCC4=CC=CC=C43 1 4.85 4 1 -11.1172151518274 1924898 C1CCCN(CC1)C(=O)/C(=C/C2=CC=CS2)/NC(=O)C3=CC=CC=C3 1 3.527 2 2 -18.7263325907343 1924896 C1CCN(CC1)C2=CC=C(O2)C=NNC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O 1 4.211 3 3 -7.21362906366169 1924870 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C(=C\C3=CC=C(S3)Br)/C#N 1 4.064 3 1 -14.0819552454623 1924867 CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N)C4=CC=CC=C4 1 5.026 4 2 8.67086105806484 1924837 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C\3/C(=O)NC(=S)N3 1 1.847 4 1 0 -10.6408167287147 1924791 CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2Br 1 4.254 2 2 -9.95791037034879 1924757 COC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=CSC3=NC2=O)C4=CC=CC=C4)OCC(=O)O 1 3.009 3 5 0 -19.9457533898644 1924732 CC1=CC(=NO1)NC(=O)NC(C)(C(F)(F)F)C(F)(F)F 1 2.333 3 2 -15.763820522487 1924681 COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NCCCN4CCOCC4 1 2.929 5 3 0 -16.0486169667234 1924670 CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC(=CC(=C4)C(=O)O)C(=O)O)C)/C(=O)NC2=O 1 3.559 3 7 0 -8.25224215392154 1924597 CCOC(=O)NN=CC1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl 1 4.758 3 2 -3.97637426879457 1924550 CCCNC(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=CC=C3)C(F)(F)F 1 3.929 4 1 -15.3116913222087 1924539 CCOC(=O)C\1=C(N(C(=O)/C1=C\C2=CC(=C(C=C2)O)OC)C3=CC=C(C=C3)C)C 1 3.843 1 5 -8.6892283830483 1924373 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NN=CC3=CC=C(C=C3)F 1 3.897 3 3 -1.49865293708302 1924298 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3Cl 1 4.744 2 3 -1.00647065869584 1924224 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3F 1 4.285 2 3 -2.26198607713566 1924209 C1COC(=O)/C(=C/C(=O)C2=CC=C(C=C2)Cl)/N1 1 1.757 1 3 0 -4.40633582710678 1924109 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(C(=O)N3N)CCC(=O)O 1 0.327 5 6 0 -25.2426408534526 1924101 CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC=C(C=C3)F 1 3.476 2 4 -2.95127599920884 1924086 C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC(=CC=C3)Br 1 4.511 1 3 -3.32940739063725 1924075 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=C(\C#N)/C(=O)NC3=CC=CC=C3 1 3.718 3 3 -14.8097723499366 1924066 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CN=CC=C3 1 2.524 4 3 0 -18.1401033404009 1923948 CCCNC(=O)CN1C(=CC(=N1)C(F)(F)F)C 1 1.928 3 1 0 -15.0950617960313 1923965 CC1=CC(=CC=C1)OP(=O)(NC2=CC(=C(C=C2)OC)OC)OC3=CC=CC(=C3)C 1 5.23 1 5 -3.71112630497483 1924058 C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)/C#N 1 4.118 2 4 -13.2787951547451 1923913 C1C(CS1)OC2=CC=C(C=C2)C=NNC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.673 3 4 0 -16.1753509125973 1923912 CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=CC=C4OC)C5=CC=CC=C5 1 4.446 4 3 0 -31.809605929588 1923906 CC1=CC(=CC=C1)NNC(=O)C(=O)NNC2=CC=CC(=C2)C 1 2.898 4 2 -0.865708828472973 1923815 COC1=C(C=C(C=C1)C=NN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Br)CN5CCOCC5 1 3.679 5 3 0 -4.17534364934288 1923777 CN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC4=C(O3)C=CC(=C4)Br 1 4.526 3 2 1.81709533284125 1923756 C1CCN(CC1)C(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CC=C3F 1 4.071 2 2 -18.2858892910757 1923747 C1=CSC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)O 1 3.964 2 3 -12.7767188274855 1923746 C1=CSC(=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)O 1 3.964 2 3 -12.7767188274855 1923719 C1CC2=CC=CC=C2N(C1)C(=O)CCN3C(=O)/C(=C\C4=CC=CC=C4Cl)/SC3=S 1 5.333 2 2 -14.2506203717272 1923713 CC1=CC=CC=C1OCCOC2=CC=CC(=C2)C=NNC(=O)CC3=NN=C(S3)N 1 2.954 5 3 0 -6.11432777755144 1923675 C1=CC=C2C(=C1)C(=CN2CC3=C(C=C(C=C3)Cl)Cl)C=NNC(=O)CC#N 1 4.49 4 1 -7.36728866136928 1923659 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)Br)/C#N 1 5.496 3 2 -13.5904059093841 1923624 CCOC(=O)C(=O)N(C1=CC=CC=C1C)NC2=CC=CC=C2C 1 4.077 2 3 -8.95149385525711 1923623 CCCCN1C(=NC2=CC=CC=C2C1=O)C3=CC=CO3 1 3.423 2 2 -2.51417023638048 1923620 C=CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)S(=O)(=O)N)N 1 1.905 6 3 0 -22.0361209004389 1923580 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NNC(=O)CC3=CC(=C(C=C3)OC)OC 1 3.084 3 5 0 -15.9793388920997 1923564 COCCC(=O)NC1=C(C2=C(C=CC(=C2)Br)NC1=O)C3=CC=CC=C3 1 2.288 2 3 -11.5698183698905 1923497 C1=CC=C(C=C1)P(=O)(CC2=CC(=CC=C2)NC(=O)CCl)C3=CC=CC=C3 1 4.637 1 2 -8.02937052484456 1923496 CC(C)(C)NC(=O)C1=NN2C(=C1)N=C3C(=C2C(F)(F)F)CCC4=CC=CC=C43 1 4.589 4 1 -11.8934690915183 1923480 CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)CC=C)O 1 4.003 3 3 -18.4827523311297 1923395 COC1=CC=CC=C1OP(=O)(NC2=CN=CC=C2)OC3=CC=CC=C3OC 1 3.107 2 5 0 -2.92721598716391 1923342 C1=CC(=CC(=C1)Br)OCC(=O)NN=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl 1 4.766 2 5 0 -3.23396274095139 1923211 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=C(C=C4)OC5=CC(=C(C=C5)C#N)C#N 1 6.506 4 1 5.4366996819573 1923184 CCCOC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)C3=CC=CO3 1 3.265 3 3 -6.18104879429101 1923149 CC1=C(C(=CC=C1)C)OP(=O)(C)NC2=CC=C(C=C2)SC(F)(F)F 1 6.024 1 2 8.08359751450768 1923114 C1=CC=C(C(=C1)C(=O)O)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 1.271 3 7 0 -14.4947442238438 1922908 COC1=CC(=CC(=C1OC)OC)C(=O)NCCOC2=CC=CC=C2 1 2.621 1 5 -10.7801576916038 1922894 C1=CC=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)O)N 1 3.918 5 2 0 -8.03401052305935 1922845 C1=CC2=C(C=C1C3=CC4=C(C=C3)C(=O)N(C4=O)CCCO)C(=O)N(C2=O)CCCO 1 0.459 2 6 0 0.201586790483907 1922823 CC(=O)NC1=CC(=C(C=C1)OC)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 4.088 1 3 -9.06735192967456 1922820 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0.24970178149991 1915584 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)NC(C)C 1 4.306 3 5 0 -18.2830957117695 1915537 CN1C(=O)C(C(=O)N(C1=O)C)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 0.648 4 7 0 -9.03729912713118 1915497 C1COC(=O)/C(=C/C(=O)C2=CC=CC=C2)/N1 1 1.092 1 3 0 -7.02398208520294 1915472 CCC1=C2COC(CC2=C(C(=N1)OCC(=O)C3=CC=CC=C3)C#N)(C)C 1 3.747 2 3 -17.093014876831 1915470 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=C3 1 4.542 2 3 -5.11728553367315 1915442 COC1=CC=C(C=C1)C2CC(=O)NC(=O)C2 1 0.931 1 3 0 -4.53171860440441 1915426 CCNC1=NC(=NC(=N1)OCC#N)NOC 1 9.e-002 6 2 0 -7.09108205946313 1915387 CCCNC(=O)CC1=C(NC2=CC=CC=C2C1=O)O 1 1.728 2 3 0 -13.0743406579874 1915327 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCN(C)C 1 1.627 3 4 0 -13.7735327693243 1915325 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)CN3CCN(CC3)C4=CC=C(C=C4)OC 1 3.817 3 3 1.84058373750952 1915318 CN1C(=C(C=N1)N=CC2=CC=CC=C2[N+](=O)[O-])C(=O)N 1 1.264 5 3 0 -0.871093604226769 1915305 CN(C)CCC#CC1(C2=CC=CC=C2C3=CC=CC=C31)O 1 3.432 1 1 0.842490698934124 1915163 CC1=C/C(=C/C2=CC=C(O2)C3=CC=CC=C3OC)/C(=O)O1 1 3.504 0 4 -2.36056822022243 1915158 CCC(=O)C1=C(OC(=C1)CP(=O)(OCC)OCC)C 1 1.51 0 5 0 -6.57384953734924 1915145 COC1=C(C=C(C=C1)CCNC(=O)C(=O)NCC2CCNCC2)OC 1 0.752 3 4 0 -19.1962960018392 1915133 CCCN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC)C4=CC=C(C=C4)OC 1 5.03 3 2 -21.6818395585387 1915115 COC1=C(C=CC(=C1)C=NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 5.811 3 6 0 -8.96589109321905 1915100 CCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2 1 3.529 3 3 -7.82487745629264 1915099 CCCCCCN1C(=O)C2=C(CCC2)NC1=O 1 2.547 2 2 -10.9681964198439 1915086 COC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC(=C(C=C4)Cl)Cl 1 4.652 3 3 -7.75227040408325 1915037 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CO3 1 3.724 2 4 -6.38493853294847 1915036 COC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CCC(=O)O 1 3.189 2 5 0 -25.3717165334449 1915027 COC1=CC2=C(C=C1)NC=C2C(=O)CN3CCN(CC3)C/C=C/C4=CC=CC=C4 1 3.861 3 2 5.75942509400184 1914991 C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC4=C(C=C3Cl)OCO4 1 2.901 2 5 0 -7.13327613538624 1914890 C1=CC=C2C(=C1)C(=O)N3C=C(C(=NC3=N2)NC4=CC=CC=C4C(=O)N)Br 1 1.941 5 2 0 -7.66694725755366 1914872 CCCN1C/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)/C(=C\C4=CC5=C(C=C4)OCO5)/C1 1 4.316 1 5 -0.823120600069853 1914803 CCOCC1=CN=C(N=C1NCC(=O)C2=C(NC3=CC=CC=C32)C)C 1 1.73 4 2 0 -4.37242459123174 1914763 CC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)NCCCO)C 1 1.539 3 2 0 -5.94690929771466 1914755 COC1=CC=C(C=C1)/C=C\C(=O)OC2=CC=CC(=C2)C=NNC(=O)CC3=CC(=C(C=C3)OC)OC 1 4.568 2 6 0 -13.0930967063094 1914729 CC(=O)C1=CC=C(S1)CCCCCCCCCC(=O)O 1 4.707 0 3 -11.2440391895118 1914708 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C=NC3=NC4=CC=CC=C4N3C(C)C 1 5.389 4 2 0.70451743230727 1914661 CCOC(=O)CSC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4=CC=C(C=C4)OC 1 3.865 3 4 0 -29.8098974441203 1914632 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)N3CCCCCC3 1 4.013 2 2 -17.8332907967002 1914605 CCOP(=O)(CC1=C(OC(=C1)C#N)C)OCC 1 1.195 1 4 0 -5.18523977247201 1914589 CC(C)CCN1C2=C(C=C(C=C2)CC(=O)N)C3=CC=CC=C31 1 4.146 2 1 0.863982571066503 1914575 COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCCC4=CC=CC=C43 1 4.348 3 3 -12.5476140985157 1914572 CC1=C(C(=CC=C1)N2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=C(C5=C(S4)CCCC5)C#N)C)/C(=O)NC2=O)C 1 5.835 4 3 0 -8.98807091190957 1914547 COC(=O)C1=CN(C(=O)C(=C1)Br)CCCCN2C=C(C=C(C2=O)Br)C(=O)OC 1 0.761 2 6 0 -4.60038259243073 1914537 COC1=C(C=C(C=C1)CC(=O)NN=C/C=C/C2=CC3=C(C=C2)OCO3)OC 1 2.813 2 5 0 -6.02077626096752 1914501 C1CC(=NC2=CC=CC=C21)NCCCC(=O)O 1 1.587 2 2 0 -11.1813590191142 1914494 C1=CC=C(C(=C1)C2=CC=C(O2)C=NNC(=O)C3=CC(=CN=C3)Br)[N+](=O)[O-] 1 3.38 4 4 0 -4.23506472451966 1914471 CC1=NN(C(=C1)NC2=NC3=CC=CC=C3N=C2Cl)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.147 6 2 0 -1.44391387867304 1914406 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=CC=C3C(=O)O)C4=CC=C(C=C4)Cl 1 4.984 5 3 0 -9.61573291579748 1914403 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)CC(=O)NC4=CC=CC=C4C(F)(F)F 1 5.062 1 2 -9.23418916948949 1914390 C1=CSC(=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=CS3 1 3.456 1 3 -7.43243959831533 1914373 COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC4=C(C(=C3)OC)OCO4)C5=CC=CC=C5 1 5.134 2 4 3.96010360362564 1914305 COCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=CC=C4)N 1 2.515 5 2 0 -16.380703906986 1914277 CC1=CC=CC=C1NC(=O)/C(=C/C2=CC=CS2)/NC(=O)C3=CC=CO3 1 3.406 2 3 -16.9376530509421 1914219 CC1(CC2=C3C4=C(C(=NC=N4)N5CCOCC5)SC3=NC(=C2CO1)C6=CC=CO6)C 1 3.162 4 3 0 -7.05030439071744 1914168 CCN(CC)CCCNC(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=CC=C3)C(F)(F)F 1 3.956 5 1 -15.4309055678077 1914166 CCCCCCCCC1=NN=C(S1)N 1 3.222 3 0 -2.68691627062341 1914140 CC1=C(C(=O)/C(=C\C2=CC=CO2)/N1C3=CC=CC=C3)C(=O)OC 1 3.03 1 4 -7.17039739625693 1914089 COC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CO5)N 1 3.332 5 3 0 -14.4932858898851 1914056 CC1=CC(=CC(=C1)N2C(=CC(=C2C)C=NNC(=O)COC3=CC=CC4=C3N=CC=C4)C)C 1 4.844 4 2 -10.1824274241061 1914022 COC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NCCC2=CNC3=CC=CC=C32)OCC4=CC=CC=C4F 1 5.299 3 3 -20.6719857606085 1913928 CC1=CC(=NC(=N1)NC2=N/C(=C\C(=O)OC)/C(=O)N2C3=CC=CC=C3)C 1 2 5 3 0 -8.34151253109786 1913927 CC1=CC(=NC(=N1)NC2=N/C(=C/C(=O)OC)/C(=O)N2C3=CC=CC=C3)C 1 2 5 3 0 -8.34151253109786 1913870 C1=CC=C(C=C1)C(=O)/C=C\NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.273 4 3 0 -7.17933674966406 1913838 CCN(CC)C1=CC=C(O1)C=NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.991 3 3 -12.8585802814556 1913679 COC1=C(C=C(C=C1)CC(=O)NN=CC2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-])OC 1 3.747 4 5 0 -9.13202437794822 1913639 CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 4.347 5 4 0 -3.09992026750156 1913637 CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4CC(NC(C4)(C)C)(C)C)N 1 2.743 5 2 0 -16.1013391075748 1913590 CC1(CC2=C3C4=C(C(=NC=N4)NCCCO)SC3=NC(=C2CO1)C5=CC=CO5)C 1 2.791 4 3 0 -4.46813563132438 1913502 C1COCCN1C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)NCCO 1 1.505 4 3 0 -10.1961944038773 1913482 CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.017 3 4 0 -14.0163177099129 1913433 COC(=O)/C=C\1/C(=O)NCCN1 1 -1.104 2 3 0 -8.31164811585925 1913412 C/C(=C\C(=O)N1CCC2=CC=CC=C21)/C(=O)O 1 1.92 1 3 0 -7.68890955954356 1913403 CCC(=O)NC1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC=C(C=C3)NC(=O)CC 1 3.243 7 2 0 -6.02809723583465 1913375 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)CC2=CC(=C(C=C2)OC)OC 1 3.545 3 3 -13.9598929129683 1913350 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)N3CCCCCC3 1 3.455 2 3 -16.7757301860599 1913255 C1=CC=C2C(=C1)C3=C4N2C(=C(C(=O)C4=CC=C3)Cl)O 1 3.911 1 2 5.51376283964413 1913200 C=CCOC(=O)/C(=C/C1=CN=CC=C1)/NC(=O)C2=CC=CC=C2 1 2.108 2 3 -17.7620159430844 1913174 CC1(CC2=C(CO1)C=C3C(=N2)N=C(N(C3=O)CC=C)SCC(=O)N)C 1 1.052 4 3 0 -27.0420695335227 1913139 COC1=CC(=CC(=C1OC)OC)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CO5)N 1 3.299 5 5 0 -17.9840005724454 1913126 CCC(CC)(C(=O)/C=C/C1=CC=C(C=C1)Br)C(=O)OCC 1 4.953 0 3 -2.70814223099872 1913115 CCCCCCN1C(=O)C(=CN(C1=O)CC2=CC(=C(C=C2)OC)[N+](=O)[O-])F 1 3.012 3 5 0 -9.55264732662748 1913097 C1=CC=C(C(=C1)OP(=O)(NC2=CC(=CC=C2)F)OC3=CC=CC=C3F)F 1 4.907 1 3 1.4507447586064 1913063 CC1=C(C(=CC=C1)C)OP(=O)(N)OC2=C(C=CC=C2C)C 1 4.452 1 3 -0.662118570610687 1913054 CC1=CC(=NO1)N/C=C/C(=O)C2=CC=CC3=CC=CC=C32 1 2.617 2 2 -5.10754925078852 1913053 COC1=CC=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CO5)N 1 3.66 5 3 0 -17.9899063947972 1913032 C1=CC=C(C=C1)CS(=O)(=O)NCCCC(=O)O 1 0.798 1 4 0 -16.7682137522543 1913023 CCC(CC)(C(=O)/C=C/C1=CC=C(C=C1)OC)C(=O)OCC 1 4.188 0 4 -3.41540443699319 1913021 COC1=C(C(=C(C=C1)C=NNC(=O)COC2=CC=CC=C2)C(=O)O)OC 1 2.115 2 6 0 -8.64191858566735 1913019 CCC(=O)N=C(NC1=CC=C(C=C1)OC)NC2=NC(=CC(=N2)C)C 1 2.525 5 2 0 -6.38685285691303 1912988 C1=CC=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CO5)N 1 3.677 5 2 0 -18.5601680874451 1912931 C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC=C(C=C3)O)/SC2=S 1 4.388 1 2 -2.23006762114304 1912929 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-14.4359438514948 1899455 CCCCC(CCCC)(C(=O)NN(C1=CC=CC=C1)C(=O)OC)O 1 3.964 2 4 -20.3954746348367 1899449 CC1=CC=C(C=C1)C2=CSC(=N2)NN=C/C=C/C3=CC=CC=C3 1 4.602 3 0 9.45839629274183 1899432 CC(C(F)(F)F)(C(F)(F)F)NC(=O)NNC(=S)N 1 1.568 4 1 0 -8.76020721555288 1899419 C1=CC=C(C=C1)SC2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O 1 2.502 2 4 -2.87091353841791 1899390 CCN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 2.244 5 0 9.88671009402187 1899374 CC(C)(C)C1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)OC 1 2.787 4 2 -6.3752821684265 1899176 CCCCC1=C2CSC(CC2=C(C(=N1)NCCNC(=O)C3=CC=CC=C3)C#N)(C)C 1 4.358 4 1 -13.808677583217 1899121 CC1=NN(C2=C1C(=O)N(C(=O)C(C2)(C)C)CC3=CC=CC=C3)C4=CC=CC=C4 1 4.195 3 2 -2.2656927633302 1899073 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)CN3CCN(CC3)C4=CC=CC=C4 1 3.833 3 2 2.20790736168957 1899031 C1C[C@H]([C@H](CC1)/[N+](=C/C2=CC=CC=C2)/[O-])/[N+](=C/C3=CC=CC=C3)/[O-] 1 3.091 2 2 0.211331603376013 1898855 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=NC=C3 1 3.385 3 3 -1.34752156543694 1898833 CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)CC2=CC(=C(C(=C2)OC)OC)OC)C 1 3.363 1 7 0 -10.559797205625 1898787 COC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CO2)C#N 1 1.931 4 3 0 -12.9380272517414 1898730 C=CCSC1=NC(=O)C=C(N1)N 1 0.851 3 1 0 -11.5644178979501 1898664 C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NN=CC4=CC=CC=C4C(=O)O 1 4.984 5 3 0 -9.42375682152505 1898616 C(#N)C1=C(C(=C(C(=N1)Cl)Cl)NN)Cl 1 2.464 4 0 -0.748266165487911 1898568 C1=CC(=CN=C1)C(=O)NN=C/C=C/C2=CC=CO2 1 1.288 3 2 0 -3.68519129912344 1898567 C1=CC(=CN=C1)C(=O)NN=C/C=C\C2=CC=CO2 1 1.288 3 2 0 -3.68519129912344 1898490 C1=CC=C(C=C1)/C=C(/C(=O)NC2=CC=CC=C2)\NC(=O)C3=CC=CO3 1 2.966 2 3 -14.8369142050562 1898472 CCCNC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C(=O)C4=CC=CO4)CC 1 2.6 4 4 0 -9.19222085069073 1898427 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(C=CC=N3)C 1 4.41 3 3 -0.892679521512801 1898408 C1=CC(=CC=C1NC(=O)C(=O)NCCC(=O)O)S(=O)(=O)N 1 -1.261 3 6 0 -20.2358789285097 1898396 CC12CN(CC(C1=O)(CN(C2)C(=S)NCC=C)C)C(=S)NCC=C 1 3.678 4 1 -15.5488203208293 1898386 C1COP(=O)(SC1)OC2=CC=CC=C2 1 2.037 0 3 -2.04174368150016 1898363 CCCCC1=C(C(=C(C(=N1)N)C#N)C2=CC=CO2)CCC 1 4.524 3 1 -1.02063745061029 1898291 CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N)OCC)C 1 1.878 5 4 0 -13.8017588732853 1898287 C1OC2=C(O1)C=C(C=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5 1 3.541 4 4 0 -3.97775821621008 1898255 C1=CC=NC(=C1)NC(=O)C(=O)NC2=CC(=CC=C2)O 1 1.027 3 3 0 -1.50809452313792 1898247 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NC5=C(C=CC=N5)O 1 2.451 5 5 0 -3.10019287844845 1898213 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NCC5=CC(=CC=C5)F 1 3.516 4 4 0 -6.94188801974006 1898152 CC(C)COC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)O 1 3.486 2 6 0 -17.6594178784754 1898140 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CN3CCC4=CC=CC=C4C3 1 3.387 3 4 0 -10.9495108480144 1898131 CCCCNC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C(=O)C4=CC=CO4)CC 1 3.056 4 4 0 -9.89810214950232 1898078 CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=NNC(=O)C3=CN=CC=C3)OC 1 2.203 4 4 0 -13.5421368777596 1898067 CC1=CC=C(C=C1)NNC(=O)C(C2=CC(=CC=C2)C(F)(F)F)(C3=CC(=CC=C3)C(F)(F)F)O 1 5.936 2 2 -4.89356130682984 1898034 CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NCCC1=CC=CC=C1 1 4.066 2 2 -7.79398377766303 1897979 CN1CCC2=C(C1)SC(=C2C(=O)O)N 1 -2.309 2 2 0 -1.15497078581992 1897922 CCCCCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.124 4 5 0 -26.397371393801 1897872 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC=C(C=C3)C 1 3.954 3 3 -2.89920019354838 1897868 C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CO3 1 2.973 2 3 -17.9215478039636 1897866 CC1(N(C2=C([N+]1=O)CCCC2)[O-])C 1 4.5e-002 2 2 0 -4.71879992214024 1897865 C=CCNC(=S)NNC(=O)C1=CN=CC=C1 1 0.886 4 1 0 -14.025546369458 1897860 CN(C)C=C(C=C(C(=O)OC)C(=O)OC)C=C(C(=O)OC)C(=O)OC 1 0.558 1 8 0 0.425261289560497 1897846 CC(C)N1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3 1 4.384 4 1 -23.4951255339314 1897839 C1C/C(=C\C2=CNC3=CC=CC=C23)/C(=O)/C(=C/C4=CNC5=CC=CC=C45)/C1 1 5.724 2 1 4.26829199253175 1897832 C=CCN=C1N(C(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/S1)CC=C 1 3.536 3 3 -11.40712255529 1897819 C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NC3=CC=CC=C3)\NC(=O)C4=CC=CO4 1 2.734 2 5 0 -16.060163142942 1897796 CC(C)CCC(CCC(C)C)(C(=O)NNC1=CC=CC=C1)O 1 4.472 2 2 -9.89845311226891 1897787 COC1=CC=C(C=C1)C=NNC(=O)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 2.563 3 6 0 -10.3745112239874 1897779 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCNC(=O)C=C 1 4.991 1 2 -7.92067217752063 1897746 CCCCOC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC3=CC=CC=C3O2 1 3.481 2 5 0 -6.10459571779914 1897728 C=CCNC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=CO2 1 1.901 3 5 0 -23.0317919065972 1897716 CCOC(=O)C(CC(=O)C1=CC=CC=C1)CC(=O)C2=CC=CC=C2 1 3.404 0 4 -6.37090651952015 1897695 COC1=C(C=C(C(=C1)/C(=C/C2=CC=CC3=CC=CC=C32)/C#N)[N+](=O)[O-])OC 1 4.425 2 4 -10.5815303955952 1897665 CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CCCC4 1 4.95 2 3 -29.9837295190363 1897641 CC(=O)NC1=CC=C(C=C1)/C=C/2\C(=O)C3=CC=CC=C3S2 1 2.815 1 2 -4.31388757153241 1897631 CCCCC1=C2CSC(CC2=C(C(=N1)NCCN)C#N)(C)C 1 2.672 4 0 -7.40206668182453 1897510 CCCCCC1=C(C(=C(C(=N1)N)C#N)C2=CC=CO2)CCCC 1 5.437 3 1 -1.69924048491978 1897502 C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3 1 2.861 3 5 0 -16.4663367132809 1897487 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCO 1 0.634 2 4 0 -3.96418183305368 1897455 CCOC(=O)C1=CC=CC=C1OCC2=C(C=CC(=C2)C=NNC(=O)C3=CN=CC=C3)OC 1 3.287 3 5 0 -13.8925329775275 1897383 C1=CC=C(C=C1)C(=O)NC2=C(C(=O)C(=C(C2=O)Cl)NC(=O)C3=CC=CC=C3)Cl 1 2.403 2 4 -3.27515963130444 1897376 CCN(CP(=O)(OCC)OCC)C(=O)C1=CC=CC=C1Br 1 2.334 1 4 -9.78960229574581 1897351 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)O 1 1.811 1 4 0 -11.8810272500209 1897340 CCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC=C(C=C3)C 1 4.866 3 3 -2.95764980229441 1897336 CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.624 0 4 -2.42895270250212 1897280 CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)NCCO 1 -0.209 2 3 0 -15.4038020889746 1897278 CC(C)(C)C1=CC=[N+](C=C1)C2=C(SC(=N2)[O-])C=NNC(=O)C3=CN=CC=C3 1 2.996 5 2 0 -10.6825870243103 1897260 COC1=C(C(=C(C=C1)C=NNC(=O)CNC(=O)C2=CC3=C(C=C2)OCCO3)C(=O)O)OC 1 1.125 3 8 0 -19.3454312482711 1897249 CC(=O)/C(=C(/C=C/C=C/N(C)C)\N(C)C)/C(=O)OC 1 0.572 2 3 0 -1.66570115605584 1897227 CC(C)(C)N1CC2(CC(C1)(CN(C2)C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-] 1 2.01 4 4 0 -2.94086341707573 1897194 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)NC3=CC=C(C=C3)Br)C)C 1 4.358 2 1 5.55780823569243 1897190 CCOC1=CC=C(C=C1)N2CC(=O)N(CC2=O)C3=CC=C(C=C3)OCC 1 2.349 2 4 -6.35376930919118 1897110 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=C3 1 4.086 2 3 -5.11608604246348 1897095 COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(=O)NNC2=CC=CC=N2 1 0.235 5 5 0 -9.20263154588809 1897088 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)F 1 5.077 1 3 -2.65778835897436 1897078 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3C 1 4.565 2 3 -3.57182770611427 1897076 CN(C)/C=C/C=C/C(=C(C(=O)OC)C(=O)OC)N(C)C 1 0.698 2 4 0 -1.78038485733055 1897058 CCOC(=O)C(=O)NC1=NC=C(S1)Cl 1 0.756 2 3 0 -2.70016696920511 1897048 CCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(C=CC=N3)C 1 4.866 3 3 -0.949929639049165 1897009 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)Cl 1 4.676 2 0 9.41882042120453 1896997 CC1=CC(=CC=C1)N/C=C/C(=O)C2=CC=C(C=C2)Cl 1 4.193 1 1 4.02727512719053 1896987 C1=CC=C(C(=C1)NNC(=O)C(C2=CC(=CC=C2)C(F)(F)F)(C3=CC(=CC=C3)C(F)(F)F)O)Br 1 6.198 2 2 -6.06415496837514 1896951 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=N3 1 3.468 3 3 -0.579225403893428 1896949 CC1(CC2=C(C(=NC(=C2CO1)C3=CC=CC=C3)NCCCN(C)C)C#N)C 1 3.042 4 1 -3.22304020866926 1896947 COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CCCC4 1 4.448 2 4 -30.3966957281804 1896834 C1=CC=C(C=C1)COC(=O)CNC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=C(C=C3)Br 1 4.033 2 4 -20.4216087416625 1896823 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(C=CC=N3)C 1 3.954 3 3 -0.891480030303136 1896708 C1CCC2(CC1)C(=C(NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N 1 4.07 4 1 -10.0620699720815 1896689 CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)OCC)Cl 1 3.776 1 3 -4.44121679485606 1896674 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2O)CN3C4=CC=CC=C4N=N3 1 3.819 5 3 0 -10.1645049488155 1896654 C1=CC(=CC=C1C(=O)NNC(=O)/C=C/C(=O)O)Br 1 1.199 2 4 0 -5.4758987914985 1896631 CC1=CC(=O)N=C2N1NN=N2 1 0.605 5 1 0 -7.41024324706937 1896610 C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)SCC(=O)O)CC4=CC=CC=C4 1 4.927 2 3 -27.9912089841499 1896597 CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)CCO)OCC)C 1 1.75 5 5 0 -15.0468321934002 1896583 CCOC1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)OC 1 3.819 2 4 -14.5951392570482 1896501 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NC5=NC=C(C=C5)C 1 3.179 5 4 0 -6.487605330926 1896470 CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3=CC=C(C=C3)C 1 3.63 1 4 -21.3219723479332 1896380 CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NC)OCC)C 1 2.084 5 4 0 -15.7171616637025 1896320 C=CCNC(=S)N1CCOCC1 1 1.498 2 1 0 -16.5785591455401 1896301 CC(C)N(CC#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)C(C)C 1 4.875 1 1 -3.00417988796673 1896299 CC1=CC=CC=C1C(=O)ON=C(C(=O)N)P(=O)(OC(C)C)OC(C)C 1 1.921 2 6 0 -4.49861772419467 1896293 C1CCN(CC1)CCC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 4.661 1 1 0.433374153386302 1896285 CCN(CC)CCC#CC1(C2=CC=CC=C2C3=CC=CC=C31)O 1 4.13 1 1 -0.224948837943538 1896271 CCN\1C(=C(S/C1=C\2/C(=O)N(C(=S)S2)CC)C)C 1 3.239 2 1 -7.71196463160853 1896227 CC1=C(C=C2C(=C1)C3=C(C(N2C(=O)CSC4=NN=CN4C)(C)C)SSC3=S)C 1 4.416 4 1 -34.0424292708782 1896208 CN(C)CCC#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O 1 3.744 1 1 -0.156880013663508 1896185 CCN1C(=O)/C(=C/2\N(C3=C(S2)C=CC(=C3)OC)C)/SC1=NC4=CC=C(C=C4)C 1 5.468 3 2 2.01353319383056 1896117 CCN\1C2=CC=CC=C2S/C1=C\C=C\3/C(=O)N(C(=NC4=CC=CC5=C4C=CC=N5)S3)C 1 5.652 4 1 8.26562829053909 1896012 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCC(=O)NN=CC3=CN=CC=C3 1 2.122 4 2 -16.573147731453 1895991 CCNC1=NC(=NC(=N1)SCCOC(=O)C2=CC=CC=C2)NCC 1 2.924 5 2 0 -11.3959906216388 1895919 CN1CCN(CC1)CC#CCC2(C3=CC=CC=C3C4=CC=CC=C42)O 1 3.389 2 1 1.56579947949403 1895893 CCCCCCNC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)CC 1 3.649 4 2 -5.83415118660283 1895868 COC1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=O)N2)C(F)(F)F)C#N 1 2.88 2 3 -9.49245345926189 1895859 CCOC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)CNC(=O)CC3=CC=CC=C3 1 3.018 3 3 -10.4196363304665 1895848 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NCC(C)C 1 2.6 4 2 -4.24448105083559 1895824 COC1=C(C=C(C(=C1)/C=C\2/C(=O)N=C(S2)NS(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-])OC 1 3.222 3 7 0 -13.6682686027568 1895823 COC1=C(C=C(C(=C1)/C=C/2\C(=O)N=C(S2)NS(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-])OC 1 3.222 3 7 0 -13.6682686027568 1895795 CC1=C(C=C(C=C1)[N+](=O)[O-])N=C(C2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3 1 3.043 4 5 0 -4.3281744317575 1895784 C1=CC=C(C=C1)CS(=O)(=O)NC2=NC(=O)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/S2 1 3.255 3 5 0 -11.2530371806027 1895776 COC1=C(C=C(C=C1)C(=O)NCC(=O)NN=CC2=CN=CC=C2)OC 1 0.559 4 4 0 -17.301390787994 1895740 CCOP(=O)(C(=NOC(=O)C1=CC=CC=C1C)C(=O)N)OCC 1 1.166 2 6 0 -4.41803316585119 1895728 CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl 1 4.375 4 0 12.2812108854629 1895707 C1=CC(=CC(=C1)Cl)C(=O)NCC(=O)NN=CC2=CN=CC=C2 1 1.256 4 2 0 -9.95490122076767 1895705 C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3O 1 2.595 1 3 3.66005214965541 1895703 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NCCC(C)C 1 2.989 4 2 -7.35449395908861 1895649 COC1=CC=C(C2=C(C=CC(=C12)C(=O)C3=CC=CC=C3)O)C(=O)C4=CC=CC=C4 1 5.288 0 4 1.43383081201244 1895646 CC1=CC(=CC=C1)NC2=NC(=NC(=N2)OCC#N)N(C)C 1 2.164 6 1 0 -4.28625339486124 1895639 C1=CC=C(C=C1)C(=O)C2=COC3=C2C(=O)C(=O)C4=CC=CC=C43 1 3.607 0 4 2.25106700392775e-002 1895638 CN1C(=CC(=O)N(C1=O)C)OC2=CC=CC=C2NCC3=CC(=C(C(=C3)OC)OC)OC 1 2.984 3 6 0 -11.087321615824 1895635 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C=NC3=CC=CC=C3C 1 4.886 2 2 3.80402818142562 1895629 C=CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=CS3)[O-] 1 2.2 2 3 -12.5695025272941 1895619 CCNC1=NC(=NC(=N1)SCCOC(=O)C2=CC=CC=C2)NC(C)C 1 3.302 5 2 0 -15.7790262072009 1895616 COC1=CC=CC(=C1)C(=O)NCC(=O)NN=CC2=CN=CC=C2 1 0.576 4 3 0 -13.3886128243174 1895588 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C\C4=CC=CC=C4O)/SC3=S 1 3.474 3 3 -6.79695128596217 1895574 CCCOCC1=C2C=CC=NC2=C(C=C1)O 1 2.45 1 2 3.02918597747085 1895569 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NCC5=CN=CC=C5 1 2.16 5 4 0 -10.3693639391546 1895567 CC1=C(C(=NN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OC)Cl)Cl)C)Br 1 3.992 2 4 -5.95709434979055 1895516 CCOC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)CNC(=O)C3=CC=CC=C3O 1 2.741 3 4 0 -6.29821262929101 1895486 CC1(OC(=C/C(=C/C=C2C(=O)C3=CC=CC=C3C2=O)/O1)C4=CC=CC=C4)C 1 3.465 0 4 1.57035011454472 1895447 CCCCNC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)CC 1 2.737 4 2 -5.58071042583193 1895445 CCNC1=NC(=NC(=N1)SCCOC(=O)COC2=C(C=C(C=C2)Cl)Cl)NCC 1 4.088 5 3 0 -10.8059953222147 1895388 CC(C)C(=O)NC1=NC(=O)CS1 1 1.219 2 2 0 -14.1082236077889 1895305 CC1=CC(=NN1CC(=O)NN=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)[N+](=O)[O-] 1 4.063 5 5 0 -15.7662834250999 1895221 CN1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)Br 1 1.864 10 2 0 -20.0587567176406 1895209 COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC 1 1.562 2 5 0 -12.0056475758485 1895189 C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(O3)/C=C\4/C(=O)NC(=O)N(C4=O)C5=CC(=CC=C5)Cl 1 5.006 4 4 0 3.04529130105246 1895167 CCCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=CC=C4 1 5.761 5 2 0 5.35004300036511 1895112 C1=CC(=CN=C1)NC2=NC(=O)/C(=C\C3=CC=C(C=C3)F)/S2 1 2.834 3 1 -4.83549105879062 1895093 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC 1 4.745 2 2 -4.14735027825608 1895076 C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C=NNC(=O)CC3=NN=C(S3)N 1 2.721 5 2 0 1.06335977325878 1894962 CC1=CC=CC=C1N2C(=O)C3=CC4=C(CC(OC4)(C)C)N=C3N=C2SC 1 3.645 3 2 -15.890134389364 1895039 CCCCCCC1=NN=C(S1)N 1 2.309 3 0 -2.68691627062341 1894999 C1=CC=C(C=C1)/C=C(/C(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O)\NC(=O)C3=CC=CC=C3Br 1 3.009 3 5 0 -23.2066495419738 1894994 C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Br 1 6.207 3 2 -0.602057296195396 1894921 CC1=CC=C(C=C1)N=C2C=C(OC3=CC=CC=C32)C4=CC=C(C=C4)OC 1 5.443 1 2 6.62809929414354 1894913 CCCCCNC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)CC 1 3.193 4 2 -5.77690106906646 1894899 CC1=C(C2=C(O1)C=C(C(=C2[N+](=O)[O-])O)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Br 1 3.978 2 7 0 0.294771009675274 1894854 C1=CC=C(C(=C1)C(=O)NCC(=O)NN=CC2=CN=CC=C2)F 1 0.798 4 2 0 -14.3898581068431 1894838 C1=CC(=CC(=C1)Br)C(=O)NCC(=O)NN=CC2=CN=CC=C2 1 1.34 4 2 0 -11.9859443503896 1894837 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=C(C=C(C=C3)OC)OC)C 1 2.805 4 5 0 -8.30130765256857 1894824 C1CN(CCN1C2=NC3=CC=CC=C3N4C2=NN=C4)C(C5=CC=CC=C5)C6=CC=CC=C6 1 4.474 6 0 0.908755902971584 1894795 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CC=NC=C3 1 2.524 4 3 0 -16.9716603668556 1894762 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)N4CCCCC4)/C(=O)NC2=O 1 3.578 3 5 0 0.367805639942886 1894699 C1=CC(=CN=C1)C=NNC(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 1.256 4 2 0 -10.5084217478007 1894676 C1=CC(=C(C=C1C(F)(F)F)N/C=C(/C#N)\C(=S)N)Cl 1 2.954 3 0 -1.19065412177374 1894659 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NCC=C 1 2.344 4 4 0 -11.6539828204082 1894652 CCCCOC(=O)CN1C2=CC=CC=C2N(C1=O)CC(=O)OCCCC 1 3.176 2 5 0 -7.8093795356142 1894651 CC1(CC(=O)C(=CNCCC2=CC=C(C=C2)OC)C(=O)C1)C 1 2.057 1 3 -11.5061687804031 1894631 CC(C)NC1=NC(=NC(=N1)OCCOC(=O)C)NC(C)C 1 1.457 5 3 0 -11.8338759867038 1894552 CC1=CC(=NC(=N1)NC(=NC(=O)C2=CC=CC=C2)NC3=CC=CC=C3)C 1 3.539 5 1 -9.64783822268661 1894492 CCCCN1C2=CC=CC=C2N=C1N=CC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C 1 5.346 4 2 -2.96465539900936 1894471 COC1=CC=C(C=C1)C2=CC(=NC3=CC=C(C=C3)OC)C4=CC=CC=C4O2 1 4.94 1 3 5.80178035192599 1894456 CC1=CC=CC(=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)N3CCCCCC3 1 3.455 2 3 -16.6952735383267 1894449 C1=CC(=CN=C1)C=NNC(=O)CNC(=O)C2=CC=C(C=C2)Br 1 1.34 4 2 0 -11.9650814929022 1894428 CCOC1=NC(=NC(=N1)N(C)C)SCCOC2=C(C=C(C=C2)Cl)Cl 1 4.886 4 2 -2.73106367471427 1894391 CCCCCC(=O)NNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CC)O 1 2.727 3 4 0 -8.66216448869338 1894380 CCCCCCN1C=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C1 1 3.616 1 2 0.191252172753882 1894361 C1=CC=C(C=C1)C(C2=CC=CC=C2)NCCNC(C3=CC=CC=C3)C4=CC=CC=C4 1 5.778 2 0 -2.05771891734126 1894349 C1COCCN1C(=O)/C=C\C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.498 2 5 0 -4.74070315100912 1894344 CC1(C2(CN(CC1(CN(C2)CCO)[N+](=O)[O-])CCO)[N+](=O)[O-])C 1 -7.9e-002 4 6 0 -1.58189392438533 1894298 CN1C(=C(C=N1)N=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3 1 3.046 5 3 0 -2.64937328900397 1894290 CCCCC(=O)NC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O 1 3.519 1 3 -11.993460488548 1894277 CC1=NN(C2=C1C(=O)N(C(=O)C(C2)(C)C)C3=CC=CC=C3)C4=CC=CC=C4 1 4.188 3 2 -3.61682301411005 1894276 CCCC1=C2COC(CC2=C3C(=C(OC3=N1)C(=O)C4=CC=CC=C4)N)(C)C 1 3.997 2 3 -8.36145499444343 1894260 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CC=C3[N+](=O)[O-])/C(=O)NC2=O 1 2.873 3 6 0 -3.13791997462796 1894245 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC4=CC=C(C=C4)N)N=C2C5=CC=CC=C5 1 6.001 3 1 7.72712146768325 1894227 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)NNC3=CC=CC=C3 1 2.443 4 2 -14.2966676691427 1894197 C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)NCCCO 1 2.08 3 2 -4.9113936972923 1894158 C1=CC(=CC=C1C(=O)O)NC(=O)C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 0.993 4 7 0 -8.29580482872499 1894137 C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)NCCO 1 2.473 3 2 -5.74338750521306 1894136 C1COCCN1CCCOC(=O)C2=CC(=C(C=C2)O)O 1 1.09 1 5 0 0.518456184083467 1894058 COC1=CC(=CC=C1)OCC2=C(C=CC(=C2)C=NNC(=O)C3=NC(=C(C(=C3Cl)N)Cl)Cl)OC 1 4.951 4 4 0 -7.19109957069066 1894056 CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)N3CCOCC3 1 3.242 2 3 -16.8234530973644 1893991 CC1=CC(=NC(=N1)NC(=NC(=O)C)NC2=C(C=CC(=C2)OC)OC)C 1 1.842 5 3 0 -7.29639628231717 1894087 COC1=CC=C(C=C1)C(=O)NCC(=O)NN=CC2=CN=CC=C2 1 0.576 4 3 0 -12.7433866475317 1894066 C1=CC=C(C=C1)NN2C(=N/C(=C\C3=CC=CS3)/C2=O)C4=CC=CS4 1 4.377 3 1 -5.89080800308655 1894065 C1=CC=C(C=C1)NN2C(=N/C(=C/C3=CC=CS3)/C2=O)C4=CC=CS4 1 4.377 3 1 -5.89080800308655 1894062 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)SC)/C(=O)NC3=CC=CC(=C3)C 1 5.085 2 2 -10.9603106241302 1893984 CCOC(=O)C1=CC2=C(CC(OC2)(C)C)N=C1NC(=S)NCC=C 1 2.852 3 3 -21.4980421359383 1894027 CC1=CC(=NC(=N1)NC(=NC(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)OC)C 1 3.522 5 2 0 -9.61111883140916 1894018 CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NCC3=CC=CO3 1 4.114 2 3 -16.974611434443 1893903 CC(C)NC1=NC(=NC(=N1)SCCOC(=O)NC2=C(C=C(C=C2)Cl)Cl)NC(C)C 1 4.916 6 2 0 -11.3631074855189 1893913 COC1=CC(=C(C=C1)C(=O)/C=C/NC2=CC=CC=N2)OC 1 2.398 2 3 0.513101394807917 1893916 CSC1=C(C(=NC(=N1)N)SCC(=O)NC2=CC=C(C=C2)Cl)C#N 1 3.167 5 1 -13.1066090981281 1893928 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C=NC3=NC4=CC=CC=C4N3C 1 4.663 4 2 3.49268087193034 1893970 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC(=C(C=C3)OC)OC)C 1 2.805 4 5 0 -12.333016579406 1893950 CC1=C(C=C2CSC(SCC2=C1)C3=C(C4=CC=CC=C4C=C3)O)C 1 6.167 0 1 1.61645922784098 1893879 CCNC1=NC(=NC(=N1)OCCOC(=O)NC2=CC=CC=C2)NCC 1 2.274 6 3 0 -8.05926961060117 1893867 CCOP(=O)(C(=NOC(=O)C1=C(C=C(C=C1)Cl)Cl)C(=O)N)OCC 1 2.008 2 6 0 1.98036609344578 1893860 CCNC1=NC(=NC(=N1)OCCOC(=O)NC2=CC=CC=C2)NC(C)C 1 2.652 6 3 0 -12.4423051961632 1893821 CCCNC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)CC 1 2.281 4 2 -4.87482912702035 1893809 CCN1C2=CC=CC=C2N=C1N=CC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C 1 4.366 4 2 1.12449619785394 1893792 CC(=CCC/C(=C/CC(C)(C)CNCCN1CCNCC1)/C)C 1 4.006 3 0 -11.0377344204396 1893779 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NN=CC2=CN=CC=C2 1 0.543 4 5 0 -16.2231953709313 1893759 C1=CC=C(C=C1)CS(=O)(=O)NC2=NC(=O)/C(=C\C3=C(C=CC(=C3)[N+](=O)[O-])O)/S2 1 3.013 3 6 0 -4.62114581851668 1893751 CCNC1=NC(=NC(=N1)OCCOC(=O)COC2=C(C=C(C=C2)Cl)Cl)NCC 1 3.53 5 4 0 -9.33288510615291 1893736 CC1=C(C2=C(S1)C(=O)N3CCCCCC3=N2)C(=O)NC4CCCCC4 1 3.368 3 2 -13.571523866377 1893717 C1CN(CCN1CCO)CC#CCC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.108 2 1 0.628830131004109 1893706 CC1=CC(=CC=C1)NC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CS3 1 3.905 3 4 0 -16.233295094185 1893693 C1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])O)/S2 1 3.006 3 6 0 -3.09980128026555 1893668 CCN\1C2=C(C=CC(=C2)OC)S/C1=C\C(=O)C 1 3.024 1 2 5.48492302463901 1893667 CCN\1C2=C(C=CC(=C2)OC)S/C1=C/C(=O)C 1 3.024 1 2 5.48492302463901 1893664 CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)NCCO)C4=CC=CC=C4)C 1 3.259 3 2 -5.51183878459568 1893655 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=C(C=C2)OC)OC)/C(=O)N3CCCC3 1 3.115 2 4 -21.493993545441 1893647 C1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)/C(=C\C3=CN=CC=C3)/S2 1 2.203 3 3 -8.10175332795454 1893643 CC(C)NC1=NC(=NC(=N1)OCCOC(=O)NC2=CC=CC=C2)NC(C)C 1 3.029 6 3 0 -11.0728101035618 1893638 CCCC(=O)N=C(N)NC1=NC2=CC=CC=C2C(=N1)C 1 2.269 5 1 -4.09934935560449 1893626 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)Br)CN3CCOCC3 1 3.176 3 3 -8.6307642411758 1893622 CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)N3CCN(CC3)C 1 3.511 3 2 -12.4981202727201 1893587 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C/C(=O)C3=CC(=C(C=C3)OC)OC 1 1.825 3 4 0 -15.00109945146 1893586 CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 6.037 2 2 -6.07413824337367 1893572 CC1=CC(=NO1)N/C=C/C(=O)C2=C(C=C(C=C2)OC)OC 1 1.676 2 4 0 -8.32786424514571 1893499 CC1=CC=C(C=C1)C2=N/C(=C\C3=CC=CS3)/C(=O)N2NC4=CC=CC=C4 1 4.91 3 1 -2.78785914018961 1893498 CC1=CC=C(C=C1)C2=N/C(=C/C3=CC=CS3)/C(=O)N2NC4=CC=CC=C4 1 4.91 3 1 -2.78785914018961 1893488 CCOC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)CNC(=O)C3=CC=CC=C3F 1 3.189 3 3 -11.5418486038709 1893483 CC1(OC(=C/C(=C\C=NNC(=O)C2=CC=NC=C2)/O1)C3=CC=CC=C3)C 1 1.654 3 3 0 -4.31409282646658 1893482 CC1(OC(=C/C(=C/C=NNC(=O)C2=CC=NC=C2)/O1)C3=CC=CC=C3)C 1 1.654 3 3 0 -4.31409282646658 1893478 CCNC1=NC(=NC(=N1)SCCOC(=O)NC2=C(C=C(C=C2)Cl)Cl)NCC 1 4.161 6 2 0 -8.34956699255829 1893456 CCCNC(=C1C(=O)C2=CC=CC=C2C1=O)C 1 2.109 1 2 -5.49887788988776 1893434 CCNC1=NC(=NC(=N1)OCCOC(=O)C)NCC 1 0.702 5 3 0 -8.82033549374322 1893427 CCOC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)CNC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.513 3 3 -13.7251382284807 1893415 C1=CC=C(C(=C1)C(=O)NCC(=O)NN=CC2=CN=CC=C2)Cl 1 1.256 4 2 0 -13.1970868045177 1893392 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NCC5=CC=NC=C5 1 2.16 5 4 0 -8.27308476299653 1893387 CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl)N(C)N 1 1.17 6 3 0 -9.81614567600362 1893384 CCOC1=CC=C(C=C1)N=C2C=C(OC3=CC=CC=C32)C4=CC=C(C=C4)OC 1 5.289 1 3 5.30363336209181 1893354 CCN(CC)CCCNC(=C1C(=O)C2=CC=CC=C2C1=O)C 1 2.135 2 2 -5.61809213548672 1893336 C1=CC=C(C(=C1)C(=O)NCC(=O)NN=CC2=CN=CC=C2)Br 1 1.34 4 2 0 -12.2788009946527 1893334 C1CCN(C1)C(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC=CS3 1 2.01 2 3 -17.0390922695635 1893322 CC1=CC(=NC(=N1)NC(=NC(=O)C2=CC=CC=C2)NC3=CC=CC=C3OC)C 1 3.522 5 2 0 -12.2039352309256 1893320 C1=CC(=CC(=C1)F)C(=O)NCC(=O)NN=CC2=CN=CC=C2 1 0.798 4 2 0 -11.603281551623 1893291 C=CCNC1=C(C(=C(S1)C(=O)C2=CC=C(S2)Br)N)C#N 1 3.391 3 1 -13.0515069752491 1893245 C1=C(C=NC=C1Br)C(=O)NCCCC(=O)O 1 0.686 2 3 0 -14.2791051665242 1893275 CC1(C2=C(C3=CC=CC=C3N1C(=O)CSC4=NCCS4)C(=S)SS2)C 1 4.82 2 1 -29.897010839387 1893230 C1=CSC(=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)NCCO 1 2.157 2 3 -18.3387588649243 1893221 CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C3=CC=CS3)C(=O)OCCOC 1 3.388 0 6 -13.9102928163601 1893202 C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)N=C(S3)NS(=O)(=O)CC4=CC=CC=C4 1 3.129 2 5 0 -10.4928166739128 1893077 C1CC2=C(C=C(C(=N2)SCC3=CC=CC=C3)C#N)C(=O)C1 1 3.751 2 1 -12.2944179231732 1892992 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=CC=C2)C(=O)NN 1 0.399 4 3 0 -7.17169401667479 1892980 CCN1C(=NN=C1SCC(=O)NN=C/C=C/C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)Cl 1 4.381 6 3 0 -6.36593579406283 1892976 CC1=C(SC(=N1)NC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC=CC=C3 1 4.427 3 1 -2.18057228082936 1892918 C/C(=C\C1=CC=CC=C1)/C=NN2C(=NNC2=S)C3=CC=CO3 1 3.949 4 1 -4.28577600949649 1892804 CCCOC1=CC=CC=C1N2C(=S)C3=C(S2)C(N4C5=C(C=C(C=C35)OC)C(=O)C4=O)(C)C 1 5.048 2 4 -9.02524271093808 1892840 CCOC(=O)/C(=C\C1=C(CC(OC1)(C)C)N2CCCC2)/C#N 1 1.685 2 3 0 -13.9965241956531 1892755 CCN1C(=O)C2=CC3=C(CCCC3)N=C2N=C1SCC(=O)NC4=CC=C(C=C4)OC 1 3.468 4 3 0 -19.1954467619506 1892693 CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)O)CC=C)C 1 4.484 2 3 -26.0612509410361 1892604 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)C4=CC=C(C=C4)OC)N3CC5=CC=CO5)C#N 1 2.774 5 4 0 -21.3777251950867 1890778 C1=CC=C(C(=C1)/C=C/C=NN2C(=NNC2=S)C3=CC=CC=C3F)[N+](=O)[O-] 1 4.207 5 2 0 -0.227803676489222 1890699 CCOC(=O)NCC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C 1 3.309 3 3 -10.4675592008076 1890678 CCCCN1C(=O)C2=CC3=CC=CC=C3N(C2=NC1=O)C4=CC=C(C=C4)C 1 4.674 3 2 0.104270577439294 1890560 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CC=N3)/SC2=S 1 4.234 2 2 -4.0321246120573 1890420 CC(C)(C)NC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl 1 3.607 3 2 -14.1322523473781 1890403 CC1=C(OC2=NC(=NC(=C12)N)SCCCC(=O)NCCO)C 1 1.13 4 3 0 -13.5012578363708 1890266 C1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC4=CC=CC=C4O3 1 4.902 2 4 -4.5675311322391 1890226 CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)N=CC4=CC(=C(C=C4)OC)CN5CCCC5 1 4.191 5 2 0 -1.90946335704338 1890004 CC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N(C(=O)C2(C)C)CC4=CC=CC=C4 1 4.698 2 2 -6.27623251523259 1889986 COC(=O)NN=CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3F 1 3.95 3 2 -5.97766804243135 1889979 CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3Cl)C=NNC(=O)C4=CC=CS4 1 5.529 3 1 -7.6965883863593 1889973 CC1(CC2=C(CO1)C=C3C(=C(SC3=N2)C(=O)NCCCO)N)C 1 0.619 3 3 0 -19.0158792056245 1889971 CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=NNC(=O)OC 1 3.577 3 2 -5.5496326288079 1889938 COC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C=NNC(=O)OC 1 3.777 3 4 0 -10.0941620840086 1889889 CC(C)(C)NC(=O)/C(=C/C1=CC(=C(C=C1)OC)OC)/NC(=O)C2=CC=CS2 1 2.846 2 4 -24.3386212871908 1889861 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 5.859 2 1 -3.53914686469153 1889767 CN(C1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2Cl)C(=O)CNC(=O)OCC3=CC=CC=C3 1 5.259 2 4 -8.94181353426275 1889728 COC1=CC=C(C=C1)C(=O)CSC2=NC(=NC(=C2C#N)SC)N 1 3.105 4 2 -10.0671550825421 1889727 CCCOC1=CC=C(C=C1)C=NN(CCC#N)C(=S)N 1 2.84 4 1 -5.2851575272851 1889680 CCCCOC1=CC=C(C=C1)CC2=C(NC(=S)NC2=O)COCC 1 3.711 2 3 -10.9360901495817 1889625 CCC1=C[N+](=CC=C1)C2=C(SC(=N2)[O-])C=NNC(=O)CCN3C4=CC=CC=C4C5=CC=CC=C53 1 5.488 5 2 0 -11.875313603879 1889597 CCCCOC1=CC=C(C=C1)CSC2=NNC(=N2)C 1 3.809 3 1 -6.17867435614263 1889577 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=CC=CC=C5C=C4 1 3.801 5 3 0 -2.62983223268695 1889549 CN(C)CC1=C(C=CC2=C1C(=C(O2)CSC3=CC=CC=C3)CC(=O)OC)O 1 4.058 1 4 2.64371384322422 1889528 COC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCCl 1 3.565 2 3 -2.69883668202535 1889520 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC3=C(C=C2)C=CC(=O)O3 1 2.829 1 6 0 -15.0247435825958 1889500 C1=CC(=CN=C1)C(=O)NNC(=O)CCCN2C(=O)/C(=C\C3=CC=CS3)/SC2=S 1 2.312 4 3 0 -20.3958019081853 1889499 C1=CC(=CN=C1)C(=O)NNC(=O)CCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 2.312 4 3 0 -20.3958019081853 1889480 COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC(=O)OC)/C(=O)NC2=O 1 2.837 3 6 0 -6.01621012245231 1889464 COC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CCC(=O)O)/C2=O 1 2.517 3 6 0 -17.3969514079108 1889390 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=CS3)Br 1 4.923 3 2 -4.16792788989169 1889301 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)/C=C/C4=CC=CC=C4 1 4.449 3 2 -9.75810587852904 1889218 COCCNC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl 1 2.545 3 3 -16.570386409536 1888978 CN(C)C1=NC(=NC(=N1)N(OC)S(=O)(=O)C2=CC=CC=C2Cl)N(C)C 1 1.797 6 3 0 -5.78599300073064 1888903 C1=CC=C2C(=C1)C(=NN(C2=O)CCC(=O)NC3=CN=CC=C3)C4=CC=C(C=C4)Cl 1 3.102 4 2 -8.8658369687589 1888739 C1COCCN1NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl 1 2.078 4 3 0 -10.6474171990991 1888684 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C 1 4.012 4 1 -9.98264730842619 1888652 CCCN(CCC)C1=C(C(=O)N2C=CC=C(C2=N1)C)/C=C/3\C(=O)N(C(=S)S3)CC4=CC=CO4 1 4.643 4 3 0 -16.1269254285903 1888413 CCSC1=NN=C(S1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C 1 2.457 4 1 -17.1297493297229 1888384 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)Br)COC3=CC=CC=N3 1 4.371 3 3 -7.94769987433071 1888335 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2O)COC3=CC=CC=N3 1 3.38 3 4 0 -4.44100475100157 1888321 C1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=N 1 5.15 2 1 7.76134979845448 1888319 C1CCC2=C(N=C(C(=C2C1)C#N)NCCCO)C3=CC=CO3 1 2.812 3 2 2.75628461578379 1888316 CC(=C)CSC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4=CC=CC=C4 1 4.889 3 1 -26.6298197889689 1888201 CC1=CC(=C2C(=C1)C3=C(C(N2C(=O)CSC4=NN=CN4C)(C)C)SSC3=S)C 1 4.416 4 1 -32.7493312161679 1888169 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2O)CSC3=CC=CC=N3 1 3.938 3 3 -9.75710432571663 1888166 CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCN4CCCCC4)N 1 3.059 5 2 0 -11.3227740493005 1888033 C1=CC=C2C(=C1)C=C(O2)C(=O)OCC#CCSC3=NC4=CC=CC=C4O3 1 5.128 1 4 -1.6183573513854 1887941 C1CN(CCN1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CS3 1 0.298 3 2 0 -19.6622354235765 1887874 COC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C=NNC(=O)C4=CC=NC=C4 1 3.648 4 3 0 -9.91796626733008 1887996 CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NN4CCOCC4 1 1.651 4 3 0 -11.8070998091683 1887836 CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)NC4=CC(=C(C=C4)OC)C(=O)NC 1 3.266 4 4 0 -18.0992475087828 1887739 CC1=C(OC2=NC(=NC(=C12)N)SCC(=O)NCCCO)C 1 0.623 4 3 0 -10.3612981897395 1887680 C1=CSC(=N1)NCC2=CC(=CC(=C2O)Br)Br 1 3.001 2 1 5.93228490810435 1887616 CNC(=O)C1=C(C=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)OC 1 2.78 4 4 0 -18.7421769221104 1887591 CC1=CC(=NC(=N1)NC(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3)C 1 4.879 5 1 -13.2983794610444 1887520 CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC=CC=N3)/SC2=S 1 4.388 2 1 -1.06656669313753 1887428 C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=CC=N3)/SC2=S 1 3.908 2 1 -3.43655713363155 1887417 COC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.595 3 3 -9.52609380666848 1887411 C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)C3=CC=C(C=C3)Cl)Cl 1 5.155 3 2 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CC1=NN=C(S1)NC(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3OC)/SC2=S 1 2.65 4 3 0 -19.8603969675081 1886670 COC1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC=CC=C2 1 3.993 3 2 -13.9173808860204 1886660 CCCCSC1=NC(=CC(=N1)SCC(=O)NN=CC2=CC=CC=C2)C 1 4.511 4 1 -13.090015254424 1886648 CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)N 1 4.716 4 2 -14.0148262171832 1886613 CCOC(=O)C(=O)NN=C(C1=CC=CC=C1)C2=CC=C(C=C2)OC 1 2.997 2 4 -6.1835904710679 1886595 C1CC[C@@H]2[C@H](C1)N(C3=C([N+]2=O)C4=CC=CC=C4C3=O)[O-] 1 1.226 2 3 0 0.618176392816566 1886581 CC1=CC=C(C=C1)NC(=O)CCC(=O)NCCO 1 0.32 2 3 0 -12.9386190253862 1886578 C1C2(CN(CC(C2=O)(CN1CCO)C3=CC=CC=C3)CCO)C4=CC=CC=C4 1 1.683 2 3 0 0.298761859289612 1886558 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCC3=CC=CC=C3 1 4.864 2 3 -4.39236797346858 1886522 CC1=CC(=NC(=N1)OCC#N)OC2=CC=CC=C2 1 2.668 3 2 -4.8881914386541 1886508 CC1=CC(=CC=C1)NC(=O)CCC(=O)NCCO 1 0.32 2 3 0 -11.050973472057 1886475 CCCCNC(=O)NC1=CC=CC=N1 1 1.663 3 1 0 -8.62687791435816 1886439 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CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC(C)C)NCCCOC(C)C 1 3.446 4 3 0 -20.5131640244165 1885341 C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=NC=CN=C2 1 1.268 5 2 0 -8.06284603974488 1885294 C1CN(CCN1C2=CC=CC=C2)C(=O)/C(=C/C3=CC=C(S3)Br)/C#N 1 3.701 3 1 -5.74570657588857 1885197 C1CNC(=O)/C(=C/C(=O)C2=CC=C(C=C2)Cl)/N1 1 1.109 2 2 0 -3.96133110459055 1885142 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2F)/C(=O)NCCCC(=O)O 1 2.251 2 4 -24.8562944264971 1884940 CC1=C(C=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC=C)N)C 1 4.173 5 1 -13.8199403760239 1884906 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3=CC=C(C=C3)Br 1 3.968 4 3 0 -10.4653619280215 1884793 CCOCCN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2Cl 1 3.702 1 2 -8.826102347731 1884678 CCCNC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=CC=C3 1 2.884 3 2 -17.6140069112691 1884657 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC=C3C(=O)C4=CC=CC=C4C3=O 1 4.07 1 5 -4.03411235387787 1884528 COC1=CC(=C(C=C1)OC)NC(=O)N[C@H](CC2=CC=CC=C2)C(=O)NN 1 1.315 4 4 0 -12.6498238935181 1884508 CC1=C(C(=CC=C1)N2C3=C(C=C4C2=NC(=O)NC4=O)C(=NN3C5=CC=CC=C5)C)C 1 4.26 5 2 0 -1.7939148366289 1884485 C1=CC2=C(C(=C1)NC(=O)CCC(=O)OCC(=O)C3=C(C=C(C=C3)Cl)Cl)N=CC=C2 1 3.792 2 4 -12.2942948946175 1884440 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC=C3C(=O)CC(CC3=O)(C)C 1 3.516 1 5 -11.2704352204699 1884438 CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)C(C)(C)C 1 3.728 9 2 0 -24.5448354690254 1884408 COCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CC=C(C=C4)F)N 1 2.727 6 2 0 -11.0904290865769 1884362 COC1=CC=C(C=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC(=CC=C2)OC 1 2.7 1 6 0 -19.4596550503332 1884252 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3C(=O)O 1 4.887 1 4 -8.18182278637925 1884227 CCS/C(=C\1/C(=O)COC1=O)/NC2=CC=CC=C2 1 2.442 1 3 -5.44378882888409 1884111 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)OC)OC 1 3.187 4 5 0 -15.8016712231133 1883850 CCN(CC)CCN1C2=C(COC(C2)(C)C)C(=S)N=C1C3=CC=CC=C3 1 3.251 3 1 -9.32880790055067 1883844 CCCOC1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 4.813 3 2 10.2827480749954 1883681 CC1=C([N+](=O)C(N1[O-])(C)C)C2=CC=C(C=C2)F 1 0.81 2 2 0 0.977585711745487 1883658 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.548 4 3 0 -6.39726667797331 1883622 CN(C)C(=O)/C(=C\C1=CC(=C(O1)SC2=CC=C(C=C2)Cl)Br)/C#N 1 4.601 2 2 -4.21099404419318 1883593 CC1=NC2=CC=CC=C2N=C1OCCOC 1 1.968 2 2 0 -2.01565801043408 1883561 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=NC=C2 1 1.921 3 4 0 -15.4413017174861 1883559 CC(=CCC(C)(C)C=NNC(=O)N)C 1 1.953 3 1 0 -8.8737174466513 1883526 CCOC(=O)C(C(=O)OCC)N(C#N)C1=NC(=NC(=N1)N(C)C)N(C)C 1 0.528 7 4 0 -8.44410879074593 1883477 C1=CC=C(C=C1)CNC(=O)C(=O)NC2=CC=CC(=C2)C(=O)O 1 1.517 2 4 0 -11.9729746138834 1883421 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)CCC(=O)O 1 3.823 1 5 -9.91349379843136 1883413 C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C3=CC=C(C=C3)Cl)N4C(=O)C5=CC=CC=C5C4=O 1 4.493 5 3 0 -5.09034303323179 1883389 CCC1=NC2=C(C(=N1)OCC3=CC=CC=C3)SC4=NC5=C(COC(C5)(C)C)C=C24 1 4.922 3 2 -12.3806082748528 1883255 CCOC(=O)C1=C(O/C(=C(/C#N)\C(F)(F)F)/S1)C2=CC=CC=C2 1 3.645 1 3 -5.3485706736578 1883231 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC=C3C(=O)CC(CC3=O)(C)C 1 4.197 1 4 -9.10651326937395 1883114 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CC(=NN3)C4=CC=C(C=C4)F 1 4.108 6 3 0 -6.20267677115103 1883073 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=C(C=C(C=C3)O)O 1 2.736 4 5 0 -4.86929455437781 1883031 CN1C=C(C2=CC=CC=C21)/C=C(/C(=O)OCCN(C)C)\NC(=O)C3=CC=C(C=C3)OC 1 3.263 3 4 0 -7.61623346877157 1882952 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CN=CC=C4 1 2.189 4 2 -10.2964606691507 1882806 CC(=C)CSC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4CCCCC4 1 5.17 3 1 -27.0501395913685 1882781 CC1=CC(=CC(=C1)NC(=NC(=O)C)NC2=NC(=CC(=N2)C)C)C 1 2.847 5 1 -5.98192550289214 1882779 C1CCN2C(=C(C3=C2C(=O)N(C=N3)CC(=O)C4=CC=C(C=C4)Br)C#N)C1 1 3.287 4 2 -12.5510052463051 1882679 CCN(CC)CCN/C=C\1/C(=O)CNC1=O 1 -0.795 3 2 0 -9.28976982465983 1882674 COC1=CC=C(C=C1)CN/C=C\2/C(=O)CNC2=O 1 -6.4e-002 2 3 0 -6.72828443059024 1882569 CCCCCCCCOC(=O)/C=C/C1=C(NC(=O)NC1=O)C 1 2.938 2 4 -15.1484139618949 1882472 CC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O)/C(=O)NC2=O)C 1 4.218 3 6 0 -6.22611614696341 1882353 CC(C)CCOC(=O)/C(=C/C1=CC=CO1)/NC(=O)/C=C/C2=CC=CC=C2 1 4.085 1 4 -10.0771234478631 1882307 COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CCN4CCOCC4)OC 1 1.334 4 4 0 -9.08698511641399 1882305 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CC(=NN3)C4=CC=C(C=C4)OC 1 3.886 6 4 0 -7.32752000576042 1882124 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.988 4 5 0 -13.1279395320717 1882107 COC1=C(C=C(C=C1)/C=C\2/C(=O)NC(=S)N(C2=O)C3CC3)CN4C(=O)C5=CC=CC=C5C4=O 1 3.058 3 5 0 -9.07635857871865 1882067 CCCCNC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=CC=C3 1 3.34 3 2 -18.3198882100807 1882055 CCCCOC(=O)/C(=C/C1=CN(C2=CC=CC=C21)C)/NC(=O)C3=CC=C(C=C3)OC 1 4.453 2 4 -10.0979515151725 1882021 CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CCN3CCSCC3 1 2.393 3 5 0 -9.38500723801825 1881968 CCOC(=O)C1=C(N(N=C1)C2=C3C4=C(CCCC4)SC3=NC(=N2)SC)N 1 3.905 5 2 0 -13.2510332182265 1881906 COC1=CC(=CC(=C1)C(=O)NC(=S)NNC(=O)C2=NC=CN=C2)OC 1 0.768 5 4 0 -12.6749153110396 1881759 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)C2=NC=CN=C2 1 0.751 5 5 0 -13.7847297904678 1881699 CC(C)CNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CO4)N 1 2.964 5 2 0 -14.4321945951481 1881686 CCOC(=O)C1=C(C2=CC3=C(C=C2N1)OCO3)NC(=O)CN4CCN(CC4)CCO 1 0.931 4 6 0 -6.23231659936623 1881562 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC(=CC=C5)OC)C 1 4.343 6 1 0 6.19933594657019 1881345 C1=CC(=CC=C1C(=O)NC(=S)NNC(=O)C2=NC=CN=C2)F 1 1.006 5 2 0 -9.10464391544074 1881336 CCCNC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl 1 3.548 3 2 -15.1490788073547 1881300 COC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCC4=CC=CC=C4C3 1 4.05 2 2 -6.90658047121344 1881217 COC1=CC=C(C=C1)C2=NN3C=NC4=C(C3=N2)C5(CCCC5)CC6=CC=CC=C64 1 5.147 4 1 -0.802392171911273 1881193 CC1(CC2=C(CO1)C=C3C4=C(C(=NC=N4)OCC5=CC=CC=C5)SC3=N2)C 1 4.299 3 2 -12.1241725323152 1881105 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3=CC=C(C=C3)F 1 3.425 4 3 0 -10.1188238480416 1880983 CCCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)NCCCOC(C)C)/SC1=S 1 3.127 4 3 0 -20.4551758810906 1880944 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2O)CN3CCOCC3 1 2.186 3 4 0 -5.05305034735903 1880735 C1CCC(CC1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)Cl 1 3.223 1 4 -17.931455403228 1880649 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CC=CC=C3O 1 2.978 4 4 0 -7.08169864423788 1880613 CCCCC1=C(C2=C(C=CC(=C2)Br)N=C1C)SCCC#N 1 5.422 2 0 -3.07700367106655 1880576 C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)Cl)Cl 1 4.992 4 1 -12.2629276162327 1880548 C1CN(CCN1CC2=CC=CC=C2Cl)N=C/C=C/C3=CC=CO3 1 3.524 3 1 6.87563805987869 1880546 C1CN(CCN1CC2=CC=CC=C2Cl)N=C/C=C\C3=CC=CO3 1 3.524 3 1 6.87563805987869 1880525 CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)N3CCCCC3 1 2.238 3 3 -21.5490480654173 1880481 C=CCN=C1N(C(=O)/C(=C/C2=CC=C(C=C2)Cl)/S1)CC=C 1 4.306 2 1 -7.49072607734594 1880472 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CCOC)C 1 2.306 1 4 -6.47881525965044 1880447 CSC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4C(F)(F)F 1 6.507 2 1 -7.52427003789621 1880413 CCCC1N2CC3(CN1CC(C2)(C3(C)C)[N+](=O)[O-])[N+](=O)[O-] 1 2.088 4 4 0 -4.36708455052221 1880385 CCOC(=O)C(=O)NN=C(C1=CC=CC=C1)C2=CC=CC=C2 1 3.013 2 3 -6.48559533351874 1880359 CCCCNC1=NC(=NC(=C1)C)N2CCOCC2 1 1.288 4 1 0 -3.39207242982459 1880332 CC(C)(C)C1=CC=C(C=C1)OP(=O)(C)NC2=CC=C(C=C2)SC(F)(F)F 1 6.452 1 2 12.2403230088593 1880289 CC1=CC=C(C=C1)N2C(=O)C3=CC4=C(CC(OC4)(C)C)N=C3N=C2SC 1 3.645 3 2 -15.8095266700278 1880236 C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=NNC(=O)CC3=NN=C(S3)N 1 1.686 5 4 0 -3.55214666599642 1880216 CC1=CC=C(C=C1)C(=O)NCCN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N 1 3.02 6 1 0 -17.5369710316906 1880209 CCN1C(=C(/C(=C/C2=CC3=C(C=C2)OCO3)/C1=O)C(=O)OC)C 1 1.806 1 5 0 -13.0295290452644 1880193 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CN=CC=C2 1 1.921 3 4 0 -17.4401866671194 1880161 CC(=O)NC1=CC=C(C=C1)NC(=O)CCC(=O)NCCO 1 -1.046 3 4 0 -16.1285367621394 1880109 CCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCCCOC)C3=CC=CC=C3 1 4.34 4 2 -6.17591161853776 1879980 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3=CC=C(C=C3)OC 1 3.203 4 4 0 -11.243667082651 1879954 COC1=CC(=C(C=C1)OC)C=NN=C(C2=NON=C2N)N 1 0.73 6 3 0 -3.60308829428807 1879893 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC=C3C(=O)CC(CC3=O)(C)C 1 4.281 1 4 -10.5631730144754 1879783 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3 1 3.385 2 3 -11.8386504469582 1879775 CCOC(=O)NN=CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3Cl 1 4.758 3 2 -5.17542156815637 1879767 C1=COC(=C1)C(=O)NCC(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.725 1 5 -8.06034182063648 1879735 C1CCC2=NN=C(N2CC1)COC3=C(C=C(C=C3)Cl)Cl 1 3.917 3 1 -5.98262278966515 1879706 CC1=CC(=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=O)NC(=O)N3)C)C 1 2.876 3 2 -9.06983237859397 1879646 CCOC(=O)NN=CC1=C(N(C(=C1)C)C2=CC=CC3=CC=CC=C32)C 1 4.086 3 2 -4.93876604759757 1879633 C1=CC(=CC=C1C2=CC=C(N2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC(=O)O)Br 1 4.406 3 5 0 -8.51176722134917 1879351 C1=COC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)Br 1 2.144 1 5 -14.2268603933109 1879345 CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CCCOC)C(=O)N1CC5=CC=CC=C5Cl 1 3.93 5 2 0 -13.1689229668752 1879296 CCCCN(CC)C1=NC(=NC2=CC=CC=C21)C3=CC=NC=C3 1 3.616 4 0 4.58860114064273 1879266 CCOC(=O)/C(=C/C1=CN(C2=CC=CC=C21)C)/NC(=O)C3=CC=CC=C3 1 3.49 2 3 -8.3748320580793 1879153 C1COCCN1CC2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 2.105 3 5 0 -6.99513749466619 1879096 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NN=C(S3)C 1 3.27 4 3 0 -8.06815703616799 1879076 CC1=CC(=C[N+](=C1)C2=C(SC(=N2)[O-])C=NNC(=O)C3=CN=CC=C3)C 1 2.568 5 2 0 -12.4900554729618 1879062 CCN1C(=O)C2=C(N=C1SCC=C)SC3=C2CCC3 1 3.915 2 1 -23.3969198751869 1879034 C1CCN(CC1)CCS(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl 1 3.773 1 3 -0.699356030002877 1878990 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(=O)NCC3=CC=CC=N3 1 1.896 4 2 0 -6.83959349431575 1878984 CCCCC(=O)NNC(=O)C1=C(NC2=CC=CC=C2C1=O)O 1 1.569 3 4 0 -13.1367134368643 1878977 COC(=O)C1=CC=CC=C1NC(=O)CC(=O)NC2=CC=CC=C2C(=O)OC 1 1.626 2 6 0 -10.2964610726837 1878963 CCCC1=C2COC(CC2=C(C(=O)N1)C#N)(C)C 1 1.39 2 2 0 -9.7199153045246 1878950 CC1=CC(=O)N=C(N1)NCCO 1 -0.777 3 2 0 -7.29674060018493 1878948 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=N3 1 3.607 3 3 -6.50722422234131 1878888 CC1=CC=C(C=C1)C2=C/C(=C(/CCC(=O)O)\C3=CC=C(C=C3)C)/C(=O)N2 1 3.956 1 3 -7.59546723179311 1878886 C1=CC=C2C(=C1)C3=CC=CC=C3N2CC#CCN(CCO)CCO 1 3.179 2 2 2.54182015890432 1878864 CCCCCN1C=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C1 1 3.16 1 2 0.248502290290246 1878819 C=CCOC(=O)/C(=C/C1=CC=CC2=CC=CC=C21)/NC(=O)C3=CC=CC=C3 1 4.167 1 3 -14.2608987122418 1878803 C1CCC2=C(C1)C(=C3CCCC3=N2)NC(=O)CCCCCN4C(=O)C5=CC=CC=C5C4=O 1 4.414 3 3 -11.4430051245816 1878799 C1COCCOC2=C(C=CC(=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])OCCO1 1 2.652 1 7 0 -9.26353532868686 1878794 C1CCN(CC1)CCC(=O)NCCC#N 1 0.524 3 1 0 -11.310369772694 1878753 CC1=C2C(=NN1)CC(CC2=O)(C)C 1 1.406 2 1 0 -8.22541511105574 1878742 C1CN1C2=C(C(=O)C3=CC=CC=C32)C4=CC=CC=C4 1 2.94 1 1 2.64862929996737 1878728 CC(=C(C(=O)NCCCO)NC(=O)C1=CC=CC=C1)C 1 0.932 2 3 0 -11.6788257350784 1878681 CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C3=CC=CO3)C(=O)OCCOC 1 2.83 0 7 0 -11.3016577086689 1878653 CC1=CC=C(C=C1)C2=NC3=NC4=CC=CC=C4N=C3N2CC5=CC=CC=C5 1 5.405 4 0 -2.95166239660194 1878529 CC1(CC2=C(CO1)SC3=C2C(=O)N(N=N3)CC(=O)NC4=CC=CC=C4)C 1 2.794 4 3 0 -28.3404970883293 1878513 COC1=CC=CC=C1NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)F 1 2.922 1 5 -20.8001571652872 1878468 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3 1 2.392 3 7 0 -13.5111415968965 1878290 CCN1CCN(CC1)C2=C(C(=C(C(=O)N2C)C#N)C)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CO4 1 3.164 5 3 0 -5.89180898278392 1878273 CC1=CC(=C(C=C1)C)N2C3=C(C=C4C2=NC(=O)NC4=O)C(=NN3C5=CC=CC=C5)C 1 4.26 5 2 0 -4.72109022147426 1878251 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC=C3C(=O)CCCC3=O 1 3.058 1 5 -8.73196604234823 1878115 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.075 3 6 0 -9.65946085484003 1878238 CCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NC)C3=CC=CC=C3 1 4.408 4 1 -1.37541273177495 1878132 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F 1 2.829 3 5 0 -10.3621880086448 1878097 CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2=NON=C2N 1 0.109 5 4 0 -17.4329933295297 1877855 CN1C=C(C2=CC=CC=C21)/C=C(/C(=O)OCCN(C)C)\NC(=O)C3=CC=CC=C3 1 3.28 3 3 -8.23837077278423 1877828 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CN=CC=C3 1 2.069 5 3 0 -11.6624607656119 1877760 COC1=C(C=C(C=C1)Br)C=NNC(=O)CNC(=O)C2=CN=CC=C2 1 1.324 4 3 0 -11.9006185706447 1877725 COC1=CC=CC=C1C(=O)NC2=NC3=NC(=CC(=O)N3N2)C4=CC=CC=C4 1 2.471 5 3 0 -6.82411528544936 1877540 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C=C(N2)N 1 0.726 4 4 0 -22.0915432661566 1877312 COC(=O)NN=CC1=CN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl 1 5.073 3 2 -2.41823394310944 1877329 COC1=CC(=CC=C1)OCC(=O)NNC(=O)C(=O)N2CCCC2 1 4.7e-002 3 5 0 -13.4880073912542 1877335 COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(O2)Br)/C#N 1 2.868 2 3 -15.9529986371803 1877272 COC(=O)NN=CC1=CN(C2=CC=CC=C21)CCOC3=CC=CC=C3 1 3.793 3 3 -7.05808172681686 1877229 C1=CC=C(C=C1)CP(=O)(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3O 1 4.636 1 4 -2.2005508001042 1877228 C1CCC(CC1)C2=NN=C(S2)NC(=O)COC3=CC=CC=C3F 1 3.516 3 2 -8.38650956921264 1877189 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4 1 4.769 2 1 -2.38095890724993 1877178 COCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CO4)N 1 1.641 5 3 0 -16.7021495767214 1877175 CCOC1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C(=O)OC)C 1 2.373 2 4 -10.6328969837173 1877174 C1CC(=NC1)N(C2=CC=C(C=C2)OC(F)F)C(=O)NC3=CC=C(C=C3)Cl 1 4.498 3 2 -3.64903941197978e-002 1877168 CP(=O)(NC1=CC=C(C=C1)SC(F)(F)F)OC2=CC=C(C=C2)Cl 1 5.716 1 2 11.6375953852603 1877144 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)F 1 4.709 3 2 -12.8465294569729 1877143 CC1=C(C(=NN1CC(=O)NCCOC)C(F)(F)F)Br 1 1.673 3 2 0 -15.8725934217875 1877116 C1COCCN1CC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3 1 1.856 3 4 0 -15.9177606916956 1877096 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC(C)(C(F)(F)F)C(F)(F)F 1 3.029 4 4 0 -12.4031250906822 1877089 C1=CC(=C(C=C1/C=C\2/C(=O)NC(=S)N2)Cl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l 1 1.465 5 2 0 -7.99452225031917 1875852 CCCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=C(C=C3)OC 1 2.654 4 3 0 -6.33351094496718 1875631 CC(=O)NC1=CC(=CC=C1)OC2=NC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 3.505 4 2 3.94313737389522 1875529 C1=CC=C(C=C1)CN2C(=NC3=NC4=CC=CC=C4N=C32)C5=CC=C(C=C5)Cl 1 5.583 4 0 -1.12966370601512 1875372 CC1(CC(CC(N1)(C)C)NC(=O)C(=O)NCCC2=CC=CC=C2)C 1 1.372 3 2 0 -18.0232801082926 1875260 CCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 4.076 4 4 0 -11.5549014503458 1875186 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CC=NC=C3 1 2.069 5 3 0 -10.3966235655419 1875169 CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC(C)C)C(=O)N1CC5=CC=C(C=C5)Cl 1 5.19 5 1 -8.1791362964948 1875121 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN3C(=CC(=NC3=N2)C4=CC=CC=C4)C5=CC=CC=C5 1 4.263 6 3 0 -8.35823750786378 1875051 CCN(CC)CCNC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)C 1 4.827 3 2 -6.43051915996723 1875026 CCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCCCOC)C3=CC=CC=C3 1 4.864 4 2 -7.13189069757434 1874996 CCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)N3CCOCC3)C4=CC=CC=C4 1 4.826 4 2 -3.39192499787951 1874753 CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CCC5=CCCCC5)C(=O)N1CC(C)C 1 5.27 5 1 -15.1943351884463 1874542 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CC=CO3 1 2.615 4 4 0 -9.79214489080301 1874343 C1=CC=C(C=C1)CN2C(=NC3=NC4=CC=CC=C4N=C32)C5=CC(=CC=C5)Cl 1 5.583 4 0 1.36958293662194e-002 1874229 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=N3)Br 1 2.859 6 1 0 -13.8800301260008 1874139 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=NC=CN=C2 1 1.252 5 3 0 -8.30386843180466 1874066 COC1=CC(=C(C=C1)OC)NC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.276 4 2 7.47236364612415 1874063 C1CN(CC2=CC=CC=C21)C3=NC(=O)/C(=C/C4=CC(=CC=C4)O)/S3 1 3.824 2 2 -4.68715027769182 1874058 CCCC(=O)NC1=NN2C(=CC(=NC2=N1)C3=CC=CC=C3)C4=CC=CC=C4 1 4.898 5 1 -9.52346805982986 1873992 CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-] 1 3.986 2 6 0 -18.4225120832833 1873853 COC1=CC(=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)N4CCOCC4)OC 1 2.76 1 7 0 -8.91920789974995 1873851 COC1=CC=CC=C1N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.664 3 5 0 -16.3592276109005 1873833 CCC1=CC=C(O1)CCC(=O)NC2=NC=C(S2)CC3=CC=CC=C3Cl 1 4.398 2 2 -8.813416346375 1873798 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)C3=CC=C(C=C3)O)O 1 3.573 1 5 -0.18540693308068 1873634 CCON1C(=O)C2=CC=CC=C2N=C1SC(C)C 1 3.157 2 2 -9.63741450427277 1873618 C1CN(CCN1CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4)C5=CC=CC=C5F 1 5.044 2 3 5.97654568653402 1873525 C1=CC=C(C=C1)NC(=O)CC2=NN=C(S2)NC(=O)NC3=CC=CC=C3 1 2.223 5 2 0 -12.1665388707413 1873460 CCCCCC1=C(N=C(NC1=O)SCC(=O)O)O 1 2.646 2 4 -18.1244511696324 1873410 COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F)NC(=O)C3=CC=CO3 1 4.135 3 4 0 -15.2623055590779 1873399 C1=CC=C(C=C1)CN2C(=O)C(=O)N(C2=O)CC(=O)N 1 -0.233 3 4 0 -7.36871359898205 1873236 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4 1 3.349 2 5 0 -8.42538290472203 1873213 CC1=CC(=CC=C1)OCCN2C=NC(=C2Cl)Cl 1 3.374 2 1 -0.154570044042736 1873137 C1COCCN1CCN2C3=CC=CC=C3C(=C(C#N)C#N)C2=O 1 0.963 4 2 0 -7.08597431055097 1873085 COC1=CC=C(C=C1)C2=NOC(=N2)CCCC(=O)N3CCOCC3 1 1.237 3 4 0 -7.15812269937469 1873082 CC(C)N1CN(C(=S)N(C1)C2=CC=CC=C2)C3=CC=CC=C3 1 5.722 3 0 -4.24982382788105 1873079 CC1=CC(=C(N1C2=CC=CC=C2O)C)/C=C/3\C(=O)NN(C3=O)C4=CC=CC=C4 1 3.177 3 3 -1.84933696539135 1873052 C=CCSC1=NC2=CC=CC=C2C3=NC(=NN31)C4=CC=CC=C4 1 4.634 4 0 -4.5407607581307 1873037 CC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)OC(C)C 1 4.012 8 3 0 -24.8461314120778 1873012 COC1=CC2=C(C=C1)N(C3=NC4=CC=CC=C4N=C23)CCN5C6=CC=CC=C6OC5=O 1 4.969 4 3 0 -0.622284913351861 1872967 CC1=CC=C(C=C1)C2=NC3=C(C(=O)C4=C(O3)C=C(C=C4)OC)C(=O)N2C5=CC=CC=C5 1 4.945 2 4 -1.3732223230598 1872879 CC1=NC(=C(N1CCOC2=CC=CC=C2)Cl)Cl 1 3.148 2 1 -1.87161783286488 1872862 CCCCNC1=C2CCCC2=NC3=C(C(=NN31)C)C4=CC=CC=C4 1 4.644 4 0 -4.46404610022343 1872836 C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5S4)Cl 1 4.077 5 1 2.68505830940174 1872802 COC1=CC=CC=C1C2=NOC(=N2)C3=CC=NC=C3 1 1.978 3 2 0 2.54544464504693 1872787 CCOC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC4=CC=C(C=C4)OC 1 3.762 3 3 -1.24454704435847 1872777 CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C)S(=O)(=O)C 1 0.822 2 3 0 -6.94028601210284 1872769 CC1=CC=C(C=C1)C2=NC3=NC(=C(C(=O)N3N2)CC(=O)OC)C 1 1.809 4 3 0 -9.49071143402055 1872760 CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5S4)Cl 1 4.844 5 1 1.59936445650656 1872725 CC1=CN2C(=NC3=C(C2=O)C=C(N3C)C(=O)NCCN4CCOCC4)C=C1 1 0.533 5 3 0 -18.0837446766199 1872714 CCC1=NC2=C(C(=O)C3=C(O2)C=C(C=C3)OC)C(=O)N1CC4=CC=CC=C4 1 3.468 2 4 -2.80072148465341 1872699 CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)NC4=CC=CC=C4)C 1 4.069 7 1 0 -5.75698614291399 1872663 CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CN=CC=C3 1 1.438 4 3 0 -7.65010021340768 1872661 CC1=C(C=CC(=C1)NC(=O)C2=COC(=O)C(=C2)Br)C(C)C 1 3.201 1 3 -4.77218744293019 1872660 C1=CC(=C(N=C1)Cl)N/C=C(/C#N)\C(=S)N 1 1.071 4 0 0 -5.51280793447663 1872643 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=CC(=CC(=C4O3)C)C 1 3.661 2 5 0 -20.9750341317596 1872623 C1=CC=C2C(=C1)C(=O)N(N=N2)CCCC(=O)NCC(=O)O 1 0.942 4 4 0 -34.1381289336964 1872606 CCC1=NC2=C(C(=O)C3=CC=CC=C3S2)C(=O)N1CC4=CC=CC=C4 1 4.043 2 2 -1.31703062066571 1872549 COC1=CC=C(C=C1)S(=O)(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OC 1 2.947 2 5 0 -2.43246806863368 1872520 CC1=NC2=C(C=NN2C(=C1)NC3=CC=C(C=C3)NC(=O)C)C4=CC=C(C=C4)Cl 1 3.778 5 1 -7.00385365763573 1872453 CCCCC1=CC=C(C=C1)NC(=S)NC2=CN=CC=C2 1 5.07 3 0 -4.99843839153274 1872395 CC1=CC(=C(N1C2=CC(=CC=C2)O)C)/C=C\3/C(=O)N(C(=S)S3)C 1 3.972 2 2 -4.26996113846456 1872364 C1=CC(=C(C=C1Cl)Cl)NC(=S)NNC(=O)C2=CC=NC=C2 1 3.452 4 1 -4.21222150697268 1872318 COC1=C(C=CC(=C1)CO)OC2=NC3=CC=CC=C3N4C2=NN=C4 1 2.718 4 3 0 -0.685521657613264 1872309 C1CCC2=C(CC1)SC3=C2C(=O)N(C(=O)N3CC(=O)N)CC4=CC=CO4 1 2.221 3 4 0 -15.9956566105148 1872273 CC1=NN(C(=C1)NC2=NC3=CC=CC=C3N=C2Cl)C4=CC=CC=C4 1 4.253 5 0 0.227028463997877 1872255 COCCCN1CNC(=NC1)NC2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4 1 3.75 6 1 0 4.90263823565521 1872234 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)C4CCCCCC4)C5=CC=CS5 1 5.345 3 2 -4.66844015670709 1872225 C1CC2=C(C1)NC(=NC2=O)N3CCN(CC3)CC4=CC=CC=C4 1 2.107 4 1 -8.64835867817041 1872215 C1COCCN1N2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 2.402 2 2 -7.75742926704967 1872209 CCC(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC=CC=C3 1 3.513 2 2 -0.495990032706648 1872182 COC1=C(C=CC(=C1)CO)OCC(=O)N2CCC3=CC=CC=C32 1 2.109 1 4 -14.694193352429 1872180 COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=N2)N)CSC3=NN=C(O3)C4=CC=NC=C4 1 1.824 8 3 0 -7.4084147998209 1872171 C1=CC=C(C=C1)CC(=O)NC2=C(C=CC3=NSN=C32)Cl 1 3.441 3 1 -4.48185976865475 1872170 CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(NC3=C2C=C(C=C3)OC)C(=O)O)C 1 3.488 2 5 0 -1.4012994060999 1872086 CC1=CN2C(=NC3=C(C2=O)C=C(C(=O)N3CCC4=CC(=C(C=C4)OC)OC)C#N)C=C1 1 2.188 4 4 0 -19.2463466509429 1872052 CC(C)CC1=C2CCCC2=C3C4=C(C(=NC=N4)NCCN)OC3=N1 1 2.792 5 1 0.260983053900398 1872045 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCO 1 1.458 2 4 0 -7.88724449212924 1871899 CCOC(=O)CN1C2=C(C=C(C=C2)C)C3=C1SC(=N3)C 1 3.094 2 2 -0.978497282531996 1871850 C1=COC(=C1)/C=C/2\C(=O)N=C(N2)C3=CC=C(C=C3)Br 1 2.809 2 2 -2.16326481658274 1871839 C1=CC=C2C(=C1)C(=O)C(=CO2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CC=CO5 1 3.008 4 4 0 -6.94432111400536 1871828 COC1=C(C=C(C=C1)C2=NOC(=N2)CCCC(=O)NC3=CN=CC=C3)OC 1 1.753 4 4 0 -8.46608360203776 1871794 C1=CC=C(C=C1)CCNC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CS4)/C#N 1 3.57 4 2 -10.6524527453712 1871792 CC1CCN(CC1)CC2=CC(=O)OC3=C2C(=CC(=C3C)C)C 1 4.561 1 2 -5.61614893716672 1871785 CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)Br 1 5.492 2 0 0.808878723582968 1871781 C=CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)N3CCOCC3 1 3.049 2 3 -12.26702759742 1871747 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NC3=NC=C(S3)CC4=CC=CC=C4Cl 1 5.676 3 2 -11.1255644728993 1871728 CC1=C(C=CO1)C2=NN=C(O2)SCC(=O)NC3=NC(=CS3)C4=CC=CC=C4 1 3.042 4 3 0 -10.4395892810149 1871672 CCCCCCNC(=O)C1=NC=NN1 1 1.445 4 1 0 -10.9312680920874 1871660 COC(=O)CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N3CCOCC3 1 4.106 3 3 -10.9091947387845 1871652 CCCCCC(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC=CS3 1 4.836 2 2 -7.76558631731379 1871651 CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 2.149 2 6 0 -6.58534736356122 1871599 CC1CCN(CC1)C2=NC3=CC=CC=C3N=C2N4C(=CC(=N4)C)C 1 3.738 5 0 -4.55955668862291 1871580 COC1=CC2=C(C=C1)C(=CN2)CCNC(=O)NC3=CC=CC=C3 1 3.128 3 2 -8.61042141199716 1871571 CC1CCN(CC1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C 1 4.253 1 2 -5.50650629741996 1871516 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NCCO 1 0.845 5 1 0 -1.47528063374481 1871508 CC1=CC(=CC(=C1)OP(=O)(C)NC2=CC=C(C=C2)SC(F)(F)F)C 1 6.024 1 2 10.4626364733271 1871500 C1=CC(=CC(=C1)COC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3)C(=O)O 1 3.307 2 5 0 -15.6789419959927 1871362 C1CN(CCN1C2=CC=CC=C2)N=C/C(=C/C3=CC=CC=C3)/Br 1 4.006 3 0 -0.670984224459298 1871338 COC1=CC(=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N)OC 1 3.089 3 4 0 -17.0902055697593 1871292 CC1=CC=CC=C1C(=O)NNC(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 2.41 4 3 0 -20.4098467839515 1871191 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=S)NC(=O)C3=CN=C(C=C3)Cl 1 4.179 4 1 -7.15331178232209 1871088 CCCCSC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 3.991 3 1 -18.3288309047144 1870954 CCCOC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)OC 1 3.164 1 4 -3.05033186695482 1870873 C1=CC=C(C=C1)CCNC(=O)C(=O)NC2=NC=CS2 1 1.206 3 2 0 -11.5282609882582 1870872 CCCCOC1=CC=C(C=C1)NC(=S)NC2=NC(=NC(=C2)C)SCCCC 1 6.641 4 1 -10.6278469257152 1870807 COC1=C(C=C(C=C1)CSCCNC(=S)NC2=CC=CC=C2)Cl 1 5.357 2 1 -10.9692633610129 1870756 CCCC1=NN=C(S1)NC(=O)C(=O)NCCN(C)C 1 0.3 5 2 0 -14.0289433127351 1870753 COC1=CC(=O)N2CCCSC2=N1 1 1.206 2 2 0 -12.3209550587671 1870739 CN1C2=CC=CC=C2/C(=C/3\C(=O)N=C(S3)N)/C1=O 1 1.117 3 2 0 -3.65965547403271 1870723 CC1=C2CSC(CC2=C(C(=O)N1)C#N)(C)C 1 1.155 2 1 0 -10.431679751703 1870676 CC1=C(C(=CC=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)C 1 5.561 3 0 -4.31739817762125 1870641 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NC3=CN=CC=C3 1 4.776 3 1 -2.53442875877232 1870517 CCCC1=NC2=C(C(=O)C3=CC=CC=C3O2)C(=O)N1C4=CC=C(C=C4)C 1 4.42 2 3 -4.15600670683645e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r 1 3.266 3 2 -9.19323623121636 1870345 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5 1 4.654 3 2 -0.817924678289758 1870326 CCN(CC)CC1=C(C=CC2=C1O/C(=C\C=C\C3=CC=CC=C3)/C2=O)O 1 4.133 1 3 10.5550976653998 1870266 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=O)N3CCC4=CC(=C(C=C4)OC)OC)C#N 1 2.188 4 4 0 -18.9212163993731 1870264 CC1=NN(C(=C(C1=O)C2=CC=C(C=C2)OC)NC(=O)C3=CC=CO3)C4=CC=CC=C4 1 3.995 3 4 0 -2.49332708063017 1870241 C1=CC=C(C=C1)CNC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CO4)/C#N 1 2.691 4 3 0 -8.72075687855478 1870218 CCNC(=S)N1CCC(CC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 4.605 2 1 -11.8166418813185 1870209 COC1=CC=CC=C1C2=NOC(=N2)C3=CC=CS3 1 3.082 2 2 -1.24042957268041 1870207 C1CC2=C(C1)N=C3N=C(NN3C2=O)NCC4=CC=CC5=CC=CC=C54 1 2.248 5 1 -3.54950076625513 1870201 C1CCC2(C1)CC3=CC=CC=C3/C(=C/C(=O)C(=O)NN)/N2 1 1.252 3 2 0 -4.46924922140762 1870190 CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC 1 4.774 2 4 -11.1147008177408 1870175 COC1=CC=CC=C1/C=C/C=NN2C(=NNC2=S)C3=CC=CC=N3 1 3.369 5 1 0.231369768930423 1870127 CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NN3CCOCC3)OC)C)[N+](=O)[O-] 1 1.791 5 4 0 -7.1916642520766 1870111 COC1=CC(=C(C=C1NC(=O)CN2CCC(CC2)(C(=O)N)N3CCCCC3)OC)Cl 1 1.539 4 4 0 -12.2994280544246 1870108 CC(C)CCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3N2C)C4=CC=CO4 1 4.053 3 3 -1.62270579468791 1870041 C1=CC=C(C=C1)/C=C/C=NNC(=O)CC2=CC=CS2 1 3.031 2 1 -2.88214411183059 1870020 COC1=CC=C(C=C1)N=CC2=C(OC(=N2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 1 5.217 2 4 7.06373599725728 1869888 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC=CC=C2Cl 1 5.403 2 5 0 -20.6567502605361 1869878 COC1=CC(=C(C=C1)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)OC 1 6.124 2 2 -16.2453661159763 1869874 CC1=C(SC(=S)N1C)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.034 4 4 0 -14.8070715708634 1869844 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NC3=C(C4=C(S3)CCCC4)C#N 1 5.361 4 2 -24.5853324963823 1869708 CCCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(N=CC=C2)Cl 1 3.037 3 2 -8.9027934412313 1869633 CCCCN1C(=O)C2=CC3=CC=CC=C3N(C2=NC1=O)C4=CC=CC=C4C 1 4.674 3 2 -1.42273046358966 1869593 CC1=CC(=NC(=C1C#N)OCC(=O)C2=CC=C(C=C2)Br)C 1 3.854 2 2 -8.30847866907015 1869583 COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3 1 3.511 3 3 -9.24376252377871 1869560 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)NN=CC3=C(C=C(C=C3)OC)OC 1 3.279 3 4 0 -2.96867254178549 1869495 CC1=CC=CC(=C1)C2=NOC(=N2)CCC(=O)NC3=CC=CC=C3 1 2.967 3 2 -2.21716926664492 1869428 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCCCN3CCOCC3 1 1.278 2 5 0 -15.6699264324074 1869422 CC1=CC=CC=C1NC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.337 5 3 0 -14.8449400954859 1869361 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3C)C4=CC(=CC=C4)Cl)C 1 3.543 2 3 -12.5842469255143 1869309 C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)N)Cl 1 3.401 4 2 -6.44652464913023 1869218 COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3CCCCC3 1 2.746 3 3 -8.79730248640622 1869202 CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CC=CS4 1 4.222 2 5 0 -6.22070197882949 1869157 COC1=C(C=C(C=C1)C=NNC(=S)NC2=CC=CC=C2)COC3=C(C=C(C=C3)F)F 1 6.047 3 2 -7.93511552562167 1869089 CN(C)C1=CC=C(C=C1)C=NNC(=O)C(=O)/C=C\2/C3=CC=CC=C3CC4(N2)CCCC4 1 3.757 4 2 -8.53480175006096 1869080 COC(=O)C1=CC(=CC=C1)CN2C(=C(SC2=O)C=NNC(=O)C3=CC=CC=C3Cl)Cl 1 4.097 3 4 0 -8.32593845765858 1869073 C/C(=C\C1=CC=CO1)/C=NNC(=O)C2=CC=NC=C2 1 1.734 3 2 0 -6.46439381178818 1869052 CC1=NC2=C(C(=O)N1N=CC3=CC(=C(C=C3)OC)CN4CCCC4)NC5=C2C=C(C=C5)OC 1 3.767 5 3 0 -2.88191124458034 1869022 COC1=CC=C(C=C1)C=NNC(=O)/C(=C/C2=CC=CC=C2)/CCO 1 2.811 2 3 -5.31800191626881 1868973 COC(=O)NN=CC1=CC(=CC(=C1OCC2=CC=C(C=C2)F)Cl)Cl 1 4.763 2 3 -0.834223852540542 1868952 CCN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C(C)C)C3=CC=CC=C3 1 4.325 2 2 -3.88183571649137 1868950 CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCOCC3 1 2.023 4 1 1.48660179782941 1868776 C1=CC=C(C=C1)C(=O)NCCN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N 1 2.534 6 1 0 -18.5010315962124 1868766 COC(=O)NN=CC1=CN(C2=CC=CC=C21)CCCOC3=CC=CC=C3 1 3.856 3 3 -7.96145654419332 1868694 COC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CCN4CCOCC4)SC5=C3CCCCC5 1 3.989 3 4 0 -15.6534306876116 1868658 COC1=CC=C(C=C1)C(=O)NC2=CC(=O)N=C3N2NC=N3 1 0.665 5 3 0 -9.35218544130107 1868635 CC1=NC(=C(C(=C1)COC)C#N)OCC(=O)NN=CC2=CC(=C(C=C2)OC)O 1 1.614 4 5 0 -9.01370988422021 1868557 C1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.637 4 0 7.88546092312747 1868546 CC1=CC(=C(C=C1)C)OCC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4 1 3.589 3 4 0 -11.3401729668547 1868544 CC1=C(C=C(C=C1)C(=O)C(=O)C2=CC(=C(C=C2)C)N)N 1 2.599 2 2 -1.43757530457094 1868505 COC1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4 1 3.482 3 3 -7.56115562720669 1868458 COC(=O)C1=CC=C(O1)COC2=CC=CC=C2C=NNC(=O)N 1 1.704 3 5 0 -8.73519911758312 1868435 C1=CC=C(C(=C1)CSCC2=NN=C(S2)N)Cl 1 2.547 3 0 -4.4571938338777 1868423 CC1=CC=C(C=C1)NNC(=O)C(=O)N2CCCCC2 1 1.935 3 2 0 -7.27373859859803 1868418 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC(C)C)C3=CC=CC=N3 1 4.182 4 2 -12.430697192068 1868412 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC=C(C=C3)F 1 3.476 2 4 -3.73001003764727 1868403 CN1C2=CC=CC=C2C3=C1C(=O)N(C=N3)CC4=CC=C(C=C4)F 1 3.536 3 1 0.111704675121607 1868402 CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C=N3)CC4=CC=C(C=C4)F 1 3.519 3 2 1.31552266981754 1868331 CC1=C(C(=NN1CCCC(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-])Cl 1 3.187 5 3 0 -8.96109672280822 1868279 CCN1C2=C(C3=C(S2)COC(C3)(C)C)C(=O)N(C1=O)C4=CC=C(C=C4)Cl 1 3.892 2 3 -14.5817465332867 1868227 COCCN1C(=NC2=C(C1=O)C(=O)C3=C(O2)C=C(C=C3)OC)C4=CC=C(C=C4)F 1 2.957 2 5 0 -2.47405083170049 1868201 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=CC=CS2 1 3.443 2 1 -6.98785822388973 1868190 CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=CC=C3)CCC(C)C 1 3.664 4 1 -8.65052783812241 1868179 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCC4=C2NCC(C)C 1 4.507 4 0 -4.50590581192329 1868148 CC1=CC=CC=C1C2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2CCC5=CC=C(C=C5)OC 1 5.452 3 3 0.691983296010909 1868100 C1=CC=C2C(=C1)C=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O 1 2.467 3 3 -9.31136790009919 1868051 CC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SC)SCC(=O)O)C 1 3.276 2 3 -21.9669323629039 1867918 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=C(C=CC(=C4)[N+](=O)[O-])Cl 1 5.375 4 3 0 -4.59776264123065 1867792 CC1=CC(=C(N1C2=CC=CC=C2O)C)/C=C\3/C(=O)NC(=O)N(C3=O)CC4=CC=CO4 1 2.76 3 5 0 -5.2300133216253 1867783 C1CCN(CC1)C2=CC=C(O2)/C=C(/C#N)\C(=O)NC3=CC4=CC=CC=C4C=C3 1 4.429 3 2 -8.99694177139553 1867778 CC1=CC=CC=C1N2C(=O)/C(=C/C3=C(N(C(=C3)C)C)C)/C(=O)NC2=O 1 2.723 3 3 -3.58114973177216 1867755 COC1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)C3=CC=CO3 1 2.227 3 4 0 -7.34036583476834 1867702 C1=CC=C2C(=C1)N=C3C(=C4C=CC(=CN4C3=N2)NC(=O)C5=CC=C(C=C5)F)C#N 1 3.819 5 1 -9.78342502297352 1867691 COC1=CC(=CC(=C1)NC(=S)NCCCN2CCOCC2)OC 1 2.368 3 3 -13.9909075844676 1867624 CC(C)OC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=N3 1 3.696 4 2 -13.265602699668 1867540 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCN3CCC(CC3)C 1 3.911 3 3 -7.19088893676667 1867517 COCCN1C(=NC2=C(C1=O)C(=O)C3=C(O2)C=C(C=C3)OC)C4=CC=CC=C4 1 2.751 2 5 0 -3.66044427348094 1867499 COC(=O)C1=CC(=CC(=C1)N=C(N)N=C(N)N)C(=O)OC 1 -0.306 5 4 0 -3.29200069757865 1867472 C1=C(OC(=C1)Br)C=NNC(=O)C2=NON=C2N 1 0.672 5 3 0 -14.362355841591 1867461 COC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.165 4 2 4.84820225739271 1867437 C1COC2=C(O1)C=CC(=C2)C3=NN4C(=NN=C4S3)C5=CC=CC=C5Br 1 3.912 4 2 -4.12797292081154 1867422 C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)N4CCNCC4)CCC5=CC=CC=C5 1 4.189 4 1 -17.6992804913653 1867312 CCOC1=NC=NC2=C1OC3=NC(=C4COC(CC4=C23)(C)C)C 1 2.647 3 3 -6.85652617069757 1867285 C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)Cl 1 6.098 3 2 -1.9745876506011 1867273 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C)S(=O)(=O)NCCO 1 1.827 5 3 0 -10.4980590634602 1867253 CC1=CC=C(C=C1)CN2CCN(CC2)N=C/C(=C\C3=CC=CC=C3)/C 1 4.397 3 0 1.73075802661864 1867183 CC1=CC(=NC(=N1)SC2=CC(=O)N(C2=O)C3=CC=CC=C3OC)C 1 2.502 3 3 -6.26812797076859 1867212 CC(=O)N(CC1=CN=CC=C1)C2=CC=CC(=C2)C3=NC4=CC=CC=C4S3 1 3.598 3 1 2.94408878543911 1867202 CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2C(C)C)OC4=CC=CC=C4C3=O 1 4.427 2 3 -1.2694885821005 1867009 C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)COC3=CC=CC=C3Cl 1 4.889 3 2 -7.47087021161616 1866964 COCCNC(=S)N1CCC(CC1)CC2=CC=CC=C2 1 3.72 2 1 -10.5787765292665 1866938 COCCCN1CN(CNC1=S)CC2=CC=CO2 1 1.812 3 2 0 -8.95447096742846 1866905 C1=CC(=CC=C1C(=NCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl)F 1 2.801 2 4 -4.98373086178461 1866841 CCCS(=O)(=O)NC1=C(C=CC2=C1C(=C(N2C)C)C(=O)OCC)OC 1 2.446 2 5 0 -10.4329912208754 1866811 C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O 1 4.963 2 4 -11.8687633957095 1866658 COC1=CC(=C(C=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)OC 1 4.783 3 3 -4.93159811798948 1866754 C1=CC=C(C(=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CO4)Cl 1 4.31 4 4 0 -13.3716894459716 1866682 CC(C)(C)C1=NC2=C(C=NN2C(=C1)N3CCOCC3)C4=CC=CC=C4 1 3.839 4 1 -4.60784006885372 1866595 C1=COC(=C1)C(=O)NN=CC2=C(N(C(=O)S2)CC3=CC=C(C=C3)Br)Cl 1 3.721 3 3 -2.87882780953341 1866579 CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=C(C=C3)OC 1 4.059 3 3 -15.9170302325015 1866551 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)NN=CC3=CC(=CC=C3)Br 1 4.06 3 2 -0.579538053986076 1866519 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=CC=C4OCC(=O)O 1 3.966 4 6 0 -25.7934839525171 1866445 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)/C=C/C3=CC=CO3 1 4.421 3 3 -3.94351520856296 1866414 C=CCN1CN(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC(=CC=C4)Cl 1 3.69 4 2 -11.2586749783329 1866412 CCCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(O4)[N+](=O)[O-])C 1 3.087 3 4 0 -9.87362395166553 1866379 COC1=CC=CC=C1/C=C/C=NNC(=O)C2=CC=CC=N2 1 2.305 3 2 -4.20120610080558 1866342 C1=CC(=CC(=C1)CN2C(=C(SC2=O)C=NNC(=O)C3=CC=C(C=C3)O)Cl)C(=O)O 1 2.965 3 5 0 -3.37581615120255 1866338 CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=NC=C4)/O3 1 3.904 1 4 -7.96981975482824 1866326 COCCN1CN(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)Cl 1 2.942 4 3 0 -9.82813522502989 1866258 CN(C)C1=NC(=NC(=N1)N)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O 1 0.855 9 2 0 -19.226899959212 1866190 C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NN=CC5=CC=C(C=C5)C(=O)O 1 5.317 4 4 0 -32.9686035817533 1866184 CN1C(=O)C2=CC3=C(C=CC=C3Cl)N(C2=NC1=O)CC4=CC=CC=C4 1 3.531 3 2 3.41177280528958 1866106 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC(=CC(=N2)C)C 1 3.598 4 4 0 -16.768342810446 1866093 C/C(=C\C1=CC=CO1)/C=NN2CCN(CC2)C3=CC=CC=C3 1 3.395 3 1 1.57385011476978 1865974 CCOC1=CC=C(C=C1)C=NNC(=O)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC 1 4.112 3 5 0 -18.7321467058746 1865965 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=NN2)COC3=C(C=C(C=C3)Cl)Cl 1 4.298 4 3 0 -6.0729451467005 1865954 COC1=CC=C(C=C1)CN2CN(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CS5 1 3.762 4 3 0 -7.69746648264841 1865943 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCN(CC2)C3=CC=CC=C3 1 4.369 3 1 -4.58558634966875 1865887 COCCCN1CN(CNC1=S)CC2=CC=CC=C2 1 2.63 3 1 -7.60675260761123 1865876 CCCOC1=CC=C(C=C1)C2=NC(=C(O2)N3CCC(CC3)C(=O)N)C#N 1 2.576 4 3 0 -1.5807487283843 1865850 C1=CC=NC(=C1)NCC2=CC(=CC(=C2O)Br)Br 1 3.865 2 1 6.67089078183278 1865841 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=S)NC(=O)/C=C/C4=CC=CO4 1 5.116 2 4 -11.9089409792349 1865839 CC1=C([N+](=O)C2=C(N1[O-])CCCC2)C3=CC=C(C=C3)Cl 1 2.275 2 2 -1.43802466422529 1865829 COCCN1CNC(=NC1)NC2=NC3=CC=CC=C3O2 1 1.065 5 2 0 -4.03197451446687 1865793 CN1C=CC=C1/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC(=CC=C3)Cl 1 4.136 3 2 -8.58481130255137 1865792 C1=CC=NC(=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)Cl)Cl 1 4.354 5 0 -2.1225526442786 1865784 CC1=CC(=CC=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC=NC=C5)N 1 3.564 7 1 0 -4.87493614265633 1865699 CC1=C([N+](=O)C2=C(N1[O-])CCC2)C3=CC=CC=C3 1 1.154 2 2 0 -3.42572965024263 1865633 C=CCNC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31 1 3.634 2 1 -5.9089018588151 1865622 CC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=COC=C4 1 2.406 8 3 0 -26.3528049032104 1865620 COC1=CC=C(C=C1)N2C(=O)CSC2=NC(=S)NC3=CC=CC=C3 1 4.8 3 2 -8.86882370442711 1865580 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCN3CCCC(C3)(C)C 1 4.252 3 3 -2.79282675935392 1865538 CN(CCO)S(=O)(=O)C1=CC2=C(C=C1)C3=C(C2=NO)C=C(C=C3)S(=O)(=O)N(C)CCO 1 0.145 3 7 0 -9.72599114657601 1865535 C1=CC=C(C(=C1)C(=O)NNC(=S)NC(=O)C2=CN=CC=C2)Cl 1 2.187 4 2 -10.9109109076145 1865512 COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 5.354 5 4 0 -9.98767828023052 1865440 CCOC(=O)C1=C(N(C(=S)S1)C)NC(=O)C2=CC=C(C=C2)OC 1 3.309 2 4 -9.08959783131769 1865433 COC1=CC=CC=C1OC2=CC=C(C=C2)N/C=C\3/CCCC3=O 1 3.654 1 3 -4.9133816027183 1865361 CC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=NC=C4 1 2.152 9 2 0 -23.4182232050731 1865305 C/C(=C/C1=CC=CO1)/C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C 1 1.36 9 3 0 -24.1492459625109 1865303 C/C(=C\C1=CC=CO1)/C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C 1 1.36 9 3 0 -24.1492459625109 1865282 COC1=CC=C(C=C1)C=NOCC(=O)NC2=NC3=CC=CC=C3S2 1 2.941 3 3 7.61630388232953e-003 1865276 CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=N3)C 1 3.261 6 1 0 -10.0716742854348 1865153 C1=CC=C(C=C1)C(CCNC(=O)/C=C/C(=O)O)C2=CC=CC=C2 1 3.262 1 3 -11.5614402632167 1865064 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)C4=CC=CC=C4)N3CCCOC)C#N 1 1.957 5 3 0 -22.4962129060992 1864967 CC(C)(C)OC(=O)NCCCCCC1=NN=C(O1)SCC2=C(C=CC=C2Cl)F 1 5.117 3 3 -25.688362787238 1864812 COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3 1 4.259 3 3 -8.00623226827581 1864796 C1=CC=C2C=C(C(=CC2=C1)C(=O)NN=CC3=C(N(C(=O)S3)CC4=CC=CC(=C4)C(=O)O)Cl)O 1 3.873 3 5 0 -0.143224983657361 1864779 CCCCNC(=O)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC 1 3.043 3 3 -15.3285343694693 1864686 CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=CS4)N 1 4.115 5 1 -18.3700553378395 1864673 C1CCC2=C(C1)C=C3C(=NC(=NC3=N2)SCC4=CC=CC=C4Cl)N 1 5.056 4 0 -11.1192944539041 1864654 C1=CC=C(C(=C1)/C=C/C=NNC(=O)C2=CC=NC=C2)[N+](=O)[O-] 1 1.787 4 3 0 -2.55805084194634 1864653 C1=CC=C(C(=C1)/C=C\C=NNC(=O)C2=CC=NC=C2)[N+](=O)[O-] 1 1.787 4 3 0 -2.55805084194634 1864534 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br 1 4.14 4 4 0 -20.3067237595874 1864530 CC(C)(C)OC(=O)NCCCCCC1=NN=C(O1)SCC2=CC(=CC=C2)F 1 4.453 3 3 -22.5264355542435 1864514 CC1=CC=CC=C1N2C(=O)CC3(CCCC3)CC2=O 1 2.931 1 2 -1.95940171260004 1864477 C1=C(OC(=C1)Br)C=NN=C(C2=NON=C2N)N 1 0.726 6 2 0 -5.32974862210268 1864450 C1CN(CCN1CC2=CC=CC=C2)N=C/C(=C\C3=CC=CC=C3)/Br 1 3.917 3 0 -0.846690757561197 1864443 COC1=CC=CC(=C1)C2=NOC(=N2)CCCC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.923 4 4 0 -6.52116941619933 1864426 COC1=C(C=C(C=C1)Cl)NC2=NN=C(S2)C3=CC=NC=C3 1 2.639 4 1 1.52875068807679 1864418 CC(C)CC1=C2CCCC2=C3C4=C(C(=NC=N4)SCC(=O)N)SC3=N1 1 4.239 4 1 -12.0597801072505 1864383 CN(C)CCN1C2=C(C3=C(S2)CCCCC3)C(=O)N(C1=O)C4CCCCC4 1 4.599 3 2 -14.1331725508727 1864376 C1=CC(=CC=C1C2=C(C(=O)N(C(=C2C#N)N)N)C#N)Cl 1 0.785 5 1 0 -1.58592755417225 1864366 CN(CC(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 1.838 2 5 0 -14.3025197378628 1864301 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)OC)CC4=CC=CS4 1 5.079 4 2 -15.9518166813517 1864299 CCOC(=O)C1=C(C2=C3CCCCC3=C(N=C2O1)CC(C)C)N 1 4.101 2 3 -1.04601049544705 1864344 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)NN=CC3=CC=C(C=C3)Cl 1 3.976 3 2 -1.07995000551509 1864343 CCCC1=NC2=C(C(=O)C3=CC=CC=C3S2)C(=O)N1CC4=CC=C(C=C4)OC 1 4.483 2 3 -0.318698861734905 1864340 C1=CC=C(C(=C1)/C=C\C=NNC(=O)C2=CC=CO2)[N+](=O)[O-] 1 2.333 3 4 0 -1.86065715861413 1864310 CCCCN1CNC(=S)N(C1)C2=CC=C(C=C2)C(=O)OCC 1 4.32 3 2 -10.9889313379411 1864249 C1CN(CCN1CC2=CC=CC=C2)N=CC3=CC=C(C=C3)C4=CC=CC=C4 1 4.623 3 0 6.72803448332562 1864250 C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)NCCOCCO)CC4=CC=CO4 1 2.752 3 4 0 -16.9011614294615 1864167 C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O 1 4.786 2 3 -0.467122166413224 1864146 CC1=CC=C(C=C1)C2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2CCC5=CC=C(C=C5)OC 1 5.452 3 3 1.01993342958915 1864000 CC1=CC=C(C=C1)N2C(=C(C(=O)C(=N2)C)C3=CC=C(C=C3)OC)NC(=O)C4=CC=CO4 1 4.481 3 4 0 -2.32292625329696 1864018 C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C#N 1 4.749 4 2 -8.71653499593374 1864106 C1=CC=C2C(=C1)C(=C(N2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.737 2 4 -2.97307409935163 1864040 C1CC2=C(C1)[N+](=O)C=C(N2[O-])C3=CC=C(C=C3)Cl 1 1.305 2 2 0 0.252512335899308 1863914 CC1=CC=CC=C1C2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2CC5=CC=C(C=C5)OC 1 5.131 3 3 0.524017085628954 1863887 COC1=CC=C(C=C1)C(=O)NN=CC2=C(N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O)Cl 1 3.19 3 5 0 -5.39191592542683 1863865 CC1=C(C2=C(N1C)C=CC(=C2)OC(=O)N(C)C)C(=O)OCCOC 1 2.168 2 5 0 -9.64797069137542 1863801 CCCCNC(=O)CSC1=NN=C(S1)NC(=O)C 1 0.896 4 2 0 -24.9185577760012 1863796 CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)F)[O-] 1 2.477 2 4 -2.19399607591687 1863779 CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)NC(=S)S3)NCCCN4CCOCC4 1 1.28 5 3 0 -8.85154662732837 1863743 CC1=CC=C(C=C1)SC2=CC=C(O2)/C=C\3/C(=N)N4C=C(SC4=NC3=O)C 1 4.45 3 2 -5.73549407767127 1863658 CCN(CC)C(=S)SCC(=O)N1CCC(CC1)C(=O)N 1 1.642 3 2 0 -11.9672560943384 1863657 CCC(=O)N=C(N)NC1=NC2=CC(=C(C=C2C(=N1)C)C)C 1 2.786 5 1 -1.54421175070061 1863506 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)NC3CCCCC3 1 3.572 3 3 -13.1137173967051 1863452 COC1=CC=C(C=C1)C=NNC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)O 1 3.284 2 3 -5.61851542216325 1863314 CCCCN1CNC(=S)N(C1)C2=C(C=CC(=C2)C)C 1 5.088 3 0 -4.65187761386587 1863212 CC(=O)NC1=NN=C(S1)SCC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 1.969 4 4 0 -18.2390256817861 1863208 COC1=CC=C(C=C1)C2=NC3=NC4=CC=CC=C4N=C3N2C5=CC6=C(C=C5)OCO6 1 4.663 4 3 0 -0.619108838668346 1863162 CCNC(=S)NNC(=O)CC(C)C 1 1.479 3 1 0 -13.0995530008907 1863161 CC1=C(C(=NC2=NC(=NN12)NCC3=CC=CS3)C)Cl 1 2.651 5 0 -4.82742798992368 1863109 C1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=NC=C4)/O3 1 3.12 1 5 -11.144537226812 1863091 CC1=NN2C(=NN=C2C3=CC=CC=C13)COC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5OC 1 3.572 5 3 0 -12.8044525739818 1863045 COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)O)O 1 3.38 2 5 0 -6.14704645044325 1863015 CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3OC)OC1=O 1 2.024 2 5 0 -5.43000357545019 1862962 C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3 1 3.995 3 2 -6.3257085553654 1862948 CC1=CC=CC=C1OCC(=O)NN=CC2=C(N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O)Cl 1 3.528 3 5 0 -5.51347264871438 1862923 CC(C)CC1=C2CCCCC2=C3C4=C(C(=NC=N4)Cl)OC3=N1 1 5.075 3 1 4.061700993145 1862875 CC(C)C1=NC2=C(C(=O)C3=CC=CC=C3O2)C(=O)N1C4=CC=CC=C4 1 3.94 2 3 -1.69920477425514 1862698 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)OC)NC(=O)COC4=CC=C(C=C4)OC 1 3.291 3 5 0 -10.5498795976503 1862693 CSC1=NSC(=N1)SCC(=O)N2CCCC3=CC=CC=C32 1 3.677 3 1 -12.7696145538302 1862644 COC1=CC=C(C=C1)N=C2C3=C4C(=CC=C3)CCCN4C2=O 1 3.227 2 2 -0.61967085750873 1862623 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNS(=O)(=O)C3=CC=C(C=C3)C 1 3.864 3 4 0 -17.8263126538869 1862591 CC(C)C1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1C4=CC=C(C=C4)F 1 4.325 3 2 0.103496797492967 1862566 COC1=CC(=CC(=C1)C2=NN=C(S2)SCC(=O)NC3=CC=CC(=C3)C(=O)O)OC 1 3.004 3 5 0 -16.1047092623153 1862564 CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C(=O)C4=C(O3)C=C(C=C4)OC)C5=CC=CS5 1 4.898 2 4 -3.86912671988833 1862538 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=C(O3)Br 1 3.37 2 3 -3.02634453351247 1862450 CC1=C(C=CO1)C2=NN=C(O2)SCC(=O)NC3=NC4=CC=CC=C4S3 1 2.723 4 3 0 -12.0494921457792 1862431 C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC=CC=N3 1 2.038 3 1 -13.0258798795314 1862403 C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)O 1 4.553 2 3 -7.6381821243606 1862402 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCC4=C2NCCN(C)C 1 3.454 5 0 -2.91551874150727 1862367 COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCCCC2)OC 1 3.788 2 4 -18.8981991765279 1862355 COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CN=CC=C3)C#N)N 1 2.649 4 1 -3.30714290170275 1862335 C1=CC=C(C=C1)N2C(=O)C3=C(N2)NC(=CC3=O)CSC4=CC=C(C=C4)Cl 1 3.255 3 2 -1.0136333171911 1862307 CC1(CC2=C(CO1)C=C3C4=C(C(=NC=N4)NCCCN5CCOCC5)OC3=N2)C 1 1.399 5 3 0 -8.42983657885392 1862276 CC(C)(C)C1=CC(=NN1)C2=NNC(=S)N2C3=CC=C(C=C3)Cl 1 4.907 5 0 0.344993152757084 1862178 CC(C)(C)C1=NC2=C(C=NN2C(=C1)NCC3=CC=CC=N3)C4=CC=CC=C4 1 4.446 5 0 -5.60645250001591 1862118 COC1=CC2=C(C=C1)NC(=C2NS(=O)(=O)C3=C(C=C(C=C3)OC)OC)C(=O)O 1 2.483 2 7 0 -4.28842918334618 1862104 CCCCN1CN(CNC1=S)CC2=CC=CO2 1 3.209 3 1 -7.82826973571661 1862100 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=NS3)SC 1 4.052 4 1 -7.34151236802436 1862097 C1=CC=NC(=C1)CNC2=NC=NC3=C2NC4=C3C=C(C=C4)Br 1 3.244 5 0 4.92057779022551 1862031 COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)NC(=O)C4=CC=CO4 1 3.291 3 3 -1.24063058067896 1862027 CCCN1C=CC=CC1=NC(=S)NCC=C 1 2.505 3 0 -12.357997672188 1862008 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3 0 -10.1890736527686 1861462 CC1(CC2=C(CS1)C=C3C4=C(C(=NC=N4)NCCO)SC3=N2)C 1 2.273 4 1 -8.00657999733566 1861424 COC1=CC=C(C=C1)C2=C(SC(=N2)NC3=CC=CC=C3)CCC(=O)OC 1 3.887 2 3 -4.17741430693406 1861403 CC1(CC2=C(CO1)SC3=NC=NC(=C23)NNC(=S)NCC=C)C 1 3.162 5 1 -19.2570453757436 1861201 CCCC12CN(CC(C1=O)(CN(C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.246 4 7 0 -11.2441863728998 1861186 C/C(=C\C1=CC=CC=C1)/C=NN2C=NN=C2 1 1.851 4 0 0 -0.610717329016964 1861185 CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)OC(C)C 1 3.859 8 4 0 -26.1705973441295 1861070 CC1=C(C(=C(C(=N1)SCC(=O)NC2=CC=CC3=CC=CC=C32)C#N)C4=CC=CO4)C(=O)OCCOC 1 4.104 3 5 0 -17.7395436171811 1861054 CCOC1=C(C=C(C=C1)CCN2CN(CNC2=S)C3CCCCC3)OCC 1 5.543 3 2 -9.87391319822915 1861043 CCCC1=NC2=C(C(=NN2C(=C1)NCC3=CC=CC=N3)C)C4=CC=CC=C4 1 4.305 5 0 -5.03138558369939 1861041 CCOCCCN1CN(CNC1=S)CC2=CC=CC=C2 1 2.979 3 1 -9.11466454634098 1861000 C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C4=CC=C(C=C4)F 1 2.67 4 1 0.486575780856043 1860942 CC1=CC=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3 1 3.245 5 1 -6.15152431509499 1860920 CC1=CC(=NO1)C2=NN=C(O2)SCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Cl 1 3.485 5 3 0 -15.0218133723055 1860900 CCCC1=NN=C(S1)NC(=O)C(=O)NCCN(CC)CC 1 0.998 5 2 0 -16.2998362233229 1860881 COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OC)C4=NC5=CC=CC=C5N=C42 1 5.171 3 2 -2.9580863008504 1860843 C1=COC(=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N 1 4.16 3 2 -2.97044072442737 1860831 C1=CC=C2C(=C1)C(=O)N(N=N2)CCCC(=O)NCCCC(=O)O 1 1.512 4 4 0 -38.1093811188603 1860758 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CC4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC 1 4.628 3 4 0 2.56482769896451e-002 1860675 C1CCN(CC1)C2(CCN(CC2)CC3=CC=CC=C3Cl)C(=O)N 1 2.519 3 1 -0.26146732203854 1860656 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 5.375 4 3 0 -6.76529122255208 1860644 CC1=CC(=NN1C2=NC(=C(C=C2)Cl)C(=O)O)C 1 2.595 3 2 -5.73300653314718 1860569 CC1=CC=C(C=C1)C2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2C5=CC=CC=C5 1 5.14 3 2 -5.03767999263138e-002 1860472 C1CCC(C1)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3Cl 1 2.97 3 2 -10.6136588930895 1860414 C1CN(CC2=C1NC3=CC=CC=C23)C(=O)CN4CCN(CC4)C(=O)C5=CC=CO5 1 1.818 4 3 0 -8.17409028481256 1860317 C1CCCN(CC1)C(=O)C2=C3C4=CC=CC=C4CC5(N3C(=O)C2=O)CCCC5 1 3.119 2 3 -7.58397049350391 1860288 COC1=C(C=C(C=C1)CC2=NC(=NO2)C3=CC=CC=N3)OC 1 2.425 3 3 -4.19114756909144 1860237 CCN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C(C)C)C3=CC=CS3 1 4.278 2 2 -6.50823671128943 1860217 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3CC4=CC=CC=C4)C(=O)N5COCC5(C)C 1 2.749 4 3 0 -16.9602614388535 1860187 C1=CC=C(C=C1)NC(=O)CC2=NN=C(S2)N 1 0.783 4 1 0 -6.11947428181596 1860136 CC(C)CC(=O)NNC(=S)NC1=CC=C(C=C1)C(=O)OC 1 2.84 3 3 -13.2440945080001 1860024 COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)N3CCOCC3)O 1 2.19 2 4 -4.94103535869735 1859962 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CCNS(=O)(=O)C3=CC=CC=C3 1 3.694 2 4 -13.3963859236984 1859852 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN=CC3=CC=C(C=C3)OCC(=O)O)O 1 3.077 2 5 0 -15.0429133798758 1859841 COC1=C(C=C(C=C1)C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)Br)NC2=O)CN5CCOCC5 1 3.494 5 4 0 -5.26036268268885 1859832 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCC4=CC(=C(C=C4)OC)OC)C5=CC=C(C=C5)F 1 5.155 3 4 0 -2.26630427331463 1859813 C1=CC=C2C(=C1)C(=CN2CC(=O)NC3=CC=C(C=C3)F)C=NNC(=O)N 1 2.15 5 2 0 -8.36295728605881 1859783 C1CC2=C(C1)NC(=NC2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 1.875 4 3 0 -9.65392111949574 1859779 CC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=NC=C(C=C2)Br 1 3.752 3 2 -8.70500221924756 1859718 COC1=CC=CC2=C1C=C(N2)C(=O)NN=CC3=C(C(=CC=C3)OC)OC 1 3.219 3 4 0 -1.20626862780039 1859694 C1CCC2(CC1)CCCN(C2)C(=O)CCCl 1 2.867 1 1 -3.72152762450637 1859634 CC1=CC2=CC=CC=C2C=C1CN3CCCCC3 1 4.215 1 0 5.42833950100598 1859571 CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(NC3=C2C=C(C=C3)OC)C(=O)O)C 1 3.488 2 5 0 -2.70645488450898 1859522 CCOC1=CC=C(C=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O 1 3.034 2 4 -5.37194109872182 1859520 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC)OC1=O 1 2.329 2 6 0 -8.26823068965575 1859511 C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3=CN=CC=C3 1 1.337 4 2 0 -13.3453783076919 1859492 CC1=CC(=NN1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C 1 2.145 4 5 0 -9.00810325320774 1859443 CCCCC(=O)NNC(=O)CC(=O)NC1=CC=CC=C1C(=O)O 1 0.717 3 5 0 -13.20560551344 1859382 C1=CC=C2C(=C1)N(C(=O)N2CCC#N)CCC#N 1 1.062 4 1 0 -6.71046157649747 1859366 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C=C(C=C3)C)NC2=O)C4=CC=CC=C4 1 4.462 2 3 -9.95886547340598 1859309 CCCCC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(N(C4=CC=CC=C4C3=O)C)O 1 3.584 4 4 0 -5.82119328706735 1859292 C1CCC2=C(C3=C(N2CC1)C(=O)N(C=N3)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N 1 2.889 5 4 0 -15.3652104933158 1859141 COC1=CC=C(C=C1)C2=NOC(=N2)CCCOC3=C(C=C(C=C3)Cl)Cl 1 4.862 2 3 6.02330045144488 1859140 COC1=C(C=C(C=C1)C=NNC(=O)C2=C(C=CC(=C2)Br)O)CN3C=C(C=N3)Cl 1 4.071 4 3 0 -4.11730968742961 1859117 CC(C)CCSC1=NC=NC2=C1OC3=NC4=C(COC(C4)(C)C)C=C23 1 4.296 3 2 -11.6423484332188 1859064 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F 1 6.046 1 4 4.04926404286266 1859050 CC1(CC2=NC3=NC=NN3C=C2C(=O)C1)C 1 1.227 4 1 0 -11.9910682200178 1859047 CC1=CC=C(C=C1)S(=O)(=O)/C(=C/2\N(C(=O)CS2)CC=C)/C#N 1 2.278 2 3 -16.5437665917415 1859085 CC1=CC(=C(N1CC2=CC=CC=C2)C)/C=C/3\C(=N)N4C(=NC3=O)SN=C4SCC5=CC=CC=C5 1 6.389 5 1 -19.9313720830699 1859078 C1=CC=C(C=C1)CCNC(=O)CCC2=NC(=NO2)C3=CC=CC=C3Cl 1 3.473 3 2 -13.2260437843644 1859115 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)F)CC4=CC=CS4 1 5.506 4 1 -14.7030112833296 1859112 COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CN=CC=C3 1 1.863 6 4 0 -18.8298523787497 1858980 CC1=CC=CC=C1OCC(=O)NN2C(=NC3=CC=CC=C3C2=O)COC4=CC=CC=C4 1 3.689 3 4 0 -7.96095578657969 1859041 CCCC1=C2COC(CC2=C3C4=C(C(=O)N=CN4)OC3=N1)(C)C 1 2.26 3 3 -9.50007138132628 1892345 CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C 1 4.68 3 1 1.55011291848349 1892322 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CSC1=NSC(=N1)SCC(=O)NC2=CC=C(C=C2)F 1 3.146 3 1 -9.38734492975448 1855746 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC 1 3.959 2 4 -10.3819601177555 1855733 CC1=C([N+](=O)C2=C(N1[O-])CCCC2)C3=CC=CC=C3 1 1.611 2 2 0 -3.73453977112731 1855731 C1COCCN1CC2=CC=C(C=C2)NC(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl 1 4.172 2 2 -0.208160613448616 1855682 CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCCCCC3)C4=CC=C(C=C4)OC 1 5.22 2 2 -2.04257333693455 1855635 COC1=CC2=C(C=C1)C(=CN2)CCNC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 2.103 3 4 0 -13.5632004587334 1855624 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=CC3=C(C=C(C=C3N2)OC)OC 1 3.202 3 5 0 -2.52139765230991 1855553 CC1=CC(=C(N1C2=CC=C(C=C2)O)C)/C=C\3/C(=O)NC(=S)S3 1 3.766 2 2 3.60424736552288 1855549 CC1=CC=CC=C1OCC(=O)NCC(=O)OCC2=CC=C(C=C2)Br 1 3.398 1 4 -10.3060282692183 1855451 CCN(C1=CC(=O)N(C(=O)N1)C)N=C/C=C/C2=CC=CC=C2 1 1.895 4 2 0 1.82654821731707 1855370 CCCCN1N=C(N=N1)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)Cl 1 4.389 5 2 0 -0.683456293172679 1855225 C1CN(CCN1C2=CC=CC=C2)N=C/C=C\C3=CC=CC=C3[N+](=O)[O-] 1 3.447 4 2 6.51630655340113 1855107 CCCN1CN(C(=S)N(C1)C2=CC=CC=C2)C3=CC=CC=C3 1 5.868 3 0 -2.82614470884634 1854978 CC(C)CC1=C2COC(CC2=C3C4=C(C(=NC=N4)NCC5=CC=CO5)SC3=N1)(C)C 1 4.349 4 2 -11.0312020755089 1854956 CC1=CC=CC=C1N2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CS5 1 5.4 4 0 2.76708019004411 1854928 C/C(=C\C1=CC=CC=C1)/C=NN2C(=NNC2=S)C3=CC=CC=N3 1 3.831 5 0 -5.43660690077595 1854850 C1=CC=C(C(=C1)C(=O)NN=CC2=C(N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O)Cl)Cl 1 3.871 3 4 0 -6.33041249120323 1854802 CC(=O)N/C(=C/C1=CC(=C(C(=C1)Cl)OCC2=CC=C(C=C2)Br)OC)/C(=O)O 1 3.715 1 5 -10.1537998490957 1854790 CCCCC1(OC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C(=O)O1)C 1 4.951 0 7 0 0.199216397626255 1854755 CC1=CC=CC(=C1)C2=NNC(=S)N2N=C/C=C/C3=CC=CO3 1 3.988 4 1 4.4591121686078 1854707 CC(C)C[C@@H](C(=O)O)NC(=O)NCC(C)C 1 1.758 2 3 0 -16.2431897821996 1854652 CC1=NC2=NC=NN2C(=C1)NC3=C(C=C(C=C3)OC)OC 1 2.579 5 2 0 -12.0089987572844 1854647 CN1C2=C(C=C(C=C2)F)C3=C1C(=O)N(C=N3)CC4=CC=CC=N4 1 2.6 4 1 -0.64289716819772 1854633 C1=COC(=C1)CNC(=S)NNC(=O)C2=CC=CS2 1 2.138 3 2 -12.9405388823658 1854626 CC1=C2COC(CC2=C3C4=C(C(=NC=N4)OC)OC3=N1)(C)C 1 2.298 3 3 -6.03233625216033 1854612 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=CC=C5)N 1 4.964 4 2 -9.69477697213477 1854358 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)NN=CC3=CC=C(C=C3)Br 1 4.06 3 2 -2.53660975061653 1854319 CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC 1 5.041 2 4 -9.56839369267032 1854247 COC1=C(C=C(C=C1)C=NNC(=O)C2=CN=CC=C2)CN3CCOCC3 1 1.277 4 3 0 -10.9159574616719 1854284 C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 4.528 2 3 -6.30339671161197 1854264 CC(C)C1=C2CCCC2=C3C4=C(C(=NC=N4)SCCN(C)C)SC3=N1 1 5.278 4 0 -7.43983017221626 1854166 CC1=NN=C2N1C3=CC=CC=C3N=C2N(C)S(=O)(=O)C4=CC=CC=C4 1 2.428 5 2 0 -10.2980075509146 1854097 COCCNC(=S)NC1=CC=CC=N1 1 1.769 3 1 0 -10.075143649061 1854086 C=CCN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CS4 1 5.177 3 1 -12.3354766482923 1854070 COC1=CC(=C(C=C1)NC(=S)NCCCN2CCCC2=O)OC 1 2.195 3 3 -25.9923357810795 1854059 CCC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1CC4=CC=C(C=C4)OC 1 3.647 3 3 -0.48000047244253 1854057 CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)F)C4=C2SC(=N4)C 1 4.395 2 2 2.11515925894135 1854027 COC1=C(C=C(C=C1C(=O)NC2=CC=CC=C2N3CCCC3)Br)Br 1 4.718 2 2 -0.202755313894869 1853907 CCCC1=NC2=C(C(=O)C3=CC=CC=C3S2)C(=O)N1CCOC 1 2.785 2 3 -3.38846917564181 1853866 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCC4=C2NC5=CC(=CC=C5)OC 1 5.04 4 1 -0.712940737301863 1853833 CC1=CC=C(C=C1)OCCN2C=NC(=C2Cl)Cl 1 3.374 2 1 -1.24641283318153 1853758 C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)C2=CC=CC=C2N=N1 1 2.339 4 4 0 -28.3108560725356 1853751 CCC(=O)NC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)N4CCOCC4 1 2.341 4 3 0 -8.8057054590765 1853728 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)COC5=CC=C(C=C5)OC 1 3.157 4 5 0 -10.0334587373125 1853692 C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2 1 2.897 4 4 0 -24.2182014301759 1853649 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3)[N+](=O)[O-] 1 3.824 4 6 0 -15.4268544514525 1853629 C1CC2=CC=CC=C2N(C1)C3=NC(=NC(=N3)CN4CCN(CC4)CC5=CC=CC=C5)N 1 3.393 7 0 0 -2.10266318092621 1853627 COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CN=CC=C4)/O3 1 3.104 1 6 0 -11.6712741753423 1853536 CC1=CC=CC=C1N2C(=CC(=C2C)/C=C\3/C(=O)NC(=O)N(C3=O)CC4=CC=CO4)C 1 3.489 3 4 0 -7.5104480039335 1853531 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)NN=CC3=CC(=C(C=C3)OC)OC 1 3.279 3 4 0 -7.16516351013754 1853525 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)N3CCOCC3 1 2.399 2 5 0 -10.1579970408494 1853507 CC1=CC=CC(=C1)C2=NOC(=N2)CCCC(=O)NC3=CC=C(C=C3)C(=O)N 1 2.425 4 3 0 -4.94365531705 1853450 C1CCC2=C(C1)C(=O)N=C(N2)N3CCC4=CC=CC=C43 1 2.674 3 1 -14.1286716467277 1853398 C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N(N=C3)C45C[C@@H]6C[C@H](C4)CC(C6)(C5)CC(=O)O)Cl 1 3.197 4 3 0 -6.12281022875557 1853208 CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=C(C=C3)C4=CC=CC=C4 1 2.676 9 2 0 -20.0561818413099 1853245 C1=CC=C(C=C1)OCCN2C=CC=C2/C=C\3/C(=O)NC(=O)N(C3=O)CC4=CC=CO4 1 3.058 3 5 0 -7.01044194039209 1853229 CC(C)CCNC(=O)CN1C(=O)/C(=C\C2=CC(=C(C=C2)OC)OC)/SC1=O 1 2.755 2 5 0 -19.7352091492005 1853228 CC(C)CCNC(=O)CN1C(=O)/C(=C/C2=CC(=C(C=C2)OC)OC)/SC1=O 1 2.755 2 5 0 -19.7352091492005 1853171 C1CSC(=N1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=C/C=C/C4=CC=CC=C4 1 3.058 9 2 0 -27.5172530817787 1853121 CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)O)CC4=CC=CO4)C 1 4.633 2 4 -22.49589620317 1853048 CC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C3=NN(C(=O)C4=CC=CC=C43)C)OC 1 3.793 3 4 0 -10.0893667175809 1852895 CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CC=CS3 1 4.289 4 1 -14.2378119705729 1852801 COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl 1 4.078 2 4 -9.43026828414532 1852726 C1=CC=C(C=C1)OCC(=O)NN=CC2=C(N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O)Cl 1 3.042 3 5 0 -6.07856392022698 1852705 CCN1C(=O)C2=CC3=C(CCCC3)N=C2N=C1SCC(=O)NC4=CC=CC5=CC=CC=C54 1 4.392 4 2 -19.7588283079128 1852696 CCOC(=O)C1=CC=CC=C1OCC2=C(C=CC(=C2)C=NN3C=NN=C3)OC 1 2.8 4 4 0 -7.62225613152159 1852671 CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=C(C=C3)Cl)Cl 1 2.487 9 2 0 -22.264282058108 1852625 CC1=NN(C2=C1C=C3C(=NC(=O)N(C3=O)C)N2C4=CC=CC=C4F)C5=CC=CC=C5 1 3.699 5 2 0 3.05306003111055 1852613 C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.77 4 3 0 -12.0303948214071 1852551 CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=NC=C3 1 8.e-003 10 2 0 -23.4053283254458 1852515 C1=CC=C(C(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)COC4=CC=C(C=C4)F)Cl 1 3.521 8 3 0 -21.9827401716086 1852502 CSCC[C@@H](C(=O)O)N1CC2=CC=CC=C2C1=O 1 1.29 1 3 0 -12.5483228077247 1852499 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)N(C1=O)C 1 1.851 4 3 0 -18.0925494778497 1852485 CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O 1 4.77 2 4 -12.8656111526836 1852483 C1=CC(=CC=C1CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N 1 1.885 3 5 0 -15.4646436267843 1852432 C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)NC3=NC(=O)C4=CC=CC=C4N3 1 4.398 3 2 -15.5200453324173 1852407 C1COCCN1C(=O)CCCC2=NC(=NO2)C3=CC=CC=C3Cl 1 1.918 3 3 0 -9.32894762022604 1852376 CC1=CC=C(C=C1)OCCN2C=CC=C2/C=C\3/C(=O)NC(=O)N(C3=O)CC4=CC=CO4 1 3.545 3 5 0 -6.4248137018985 1852171 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=C(C=C3)C)O 1 4.16 2 5 0 -6.39705932027504 1852026 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NN=CC3=CC=NC=C3)OC 1 2.284 4 4 0 -14.3954480074762 1851980 C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC(=O)NN3C=NN=C3 1 3.19 6 1 0 -11.6778663235924 1851955 CC1=C(C2=C(N1C)C=CC(=C2)OC(=O)C3=C(C=CC=C3OC)OC)C(=O)OCCOC 1 3.598 1 7 0 -8.78317354492306 1851938 CC1=C(C(=O)N2C(=N1)N=C(N2)COC3=CC=CC=C3)CC4=CC=CC=C4 1 2.596 4 2 -7.69999482936456 1851928 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C 1 4.462 2 3 -10.3216315316848 1851884 C1C2=C(C=CC(=C2)S(=O)(=O)NCCO)C3=C1C=C(C=C3)S(=O)(=O)NCCO 1 0.236 2 6 0 -3.85395482655042 1851818 CC1=CC(=NO1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=N3 1 1.265 5 3 0 -20.6005366156945 1851802 C1=CC=C(C=C1)/C=C(\C=NNC(=O)C2=CC3=C(C=C2)N=CN3)/Br 1 3.011 4 1 -9.98996729613217 1851787 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br 1 4.403 5 3 0 -18.7869847385723 1851779 CC1=C(C(=O)N2C(=N1)N=C(N2)C3=CC=C(C=C3)Cl)CC(=O)OC 1 1.341 4 3 0 -7.48041614909992 1851774 CC(C)(C)C1=NC2=C(C=NN2C(=C1)N3CCOCC3)C4=CC=C(C=C4)Cl 1 4.503 4 1 -2.3113249619517 1851747 CC1=NC2=C(C=NN2C(=C1)NCCC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)Cl 1 4.788 4 2 -6.88886820340868 1851736 C1CCC(CC1)N2C(=O)C3=C(N(C2=O)CC(=O)N)SC4=C3CCCCC4 1 3.314 3 3 -16.6078343667951 1851729 COC1=CC=CC=C1NC(=O)CSCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42 1 4.434 2 3 -12.9872444630783 1851719 CN1C2=C(C=C(C=C2)F)C3=C1C(=O)N(C=N3)CCCN(CCO)CCO 1 1.075 4 3 0 2.95032737624078 1851623 C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(=O)NC4=C(C=CC(=C4)Cl)Cl 1 5.348 2 2 -3.07210388028574 1851524 COC1=C(C=C(C=C1)Cl)NC(=S)NCC2=CC=CO2 1 3.925 2 2 -8.43821766363647 1851506 CCC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1CC4=CC=CO4 1 2.845 3 3 -2.91360342692262 1851480 CC1=CC(N2C3=C1C=CC=C3C(=NC4=CC=C(C=C4)O)C2=O)(C)C 1 3.721 2 2 2.50672594947532 1851458 CCCC1=CC(=O)N2C(=N1)N=C(N2)C3=CC=C(C=C3)OC 1 1.79 4 2 0 -3.0824014208862 1851425 CCCCCCCCC1=NC(=NN1)SCC(=O)C 1 3.899 3 1 -8.01403842193196 1851375 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC(=CC=C2)Cl 1 5.403 2 5 0 -18.2717333431281 1851222 COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(O3)[N+](=O)[O-])OC 1 2.283 2 6 0 -12.0035688055841 1851218 C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)COC3=CC=C(C=C3)Cl 1 4.115 3 3 -6.84387616670966 1851126 CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CO2)OC 1 3.844 3 4 0 -20.9034293242226 1851123 C1=CC=C(C(=C1)C2=NNC(=S)N2N=C/C=C/C3=CC=CO3)Cl 1 4.167 4 1 1.13606739332152 1851059 CC1=CC2=C(C=C1)N(C(=O)C2=C(C#N)C#N)CCN3CCCCC3 1 2.678 4 1 -3.40672365525428 1851026 CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2 1 5.269 3 3 -11.0415844303715 1851015 CC(C)OCCCNC(=S)NNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 3.607 3 2 -18.6975158291909 1850962 CC1=CC=C(C=C1)C(=O)NN=CC2=C(N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O)Cl 1 3.693 3 4 0 -4.97894971628269 1850932 CCCC(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC=C(C=C3)OC 1 3.953 2 3 -5.68832096317073 1850904 CCC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CN3CCOC4=CC=C(C=C4)C)/C(=O)NC2=O 1 5.298 3 4 0 -3.11758100765329 1850847 CCCC1=NC2=C(C(=NN2C(=C1)N3CCOCC3)C)C4=CC=CC=C4 1 3.698 4 1 -4.23396911951038 1850839 CC1=C(C=CO1)C(=O)NN=C/C=C/C2=CC=CC=C2 1 2.292 2 2 1.00628617271745 1850819 C1=CC=C(C=C1)C2=NC3=NC(=O)C=C(N3N2)NC(=O)C4=CC=CC=C4Cl 1 3.089 5 2 0 -8.07984788566989 1850707 CC1=C(OC2=CC=CC=C12)C3=NC(=NC(=N3)NC4=CC(=CC=C4)OC)N 1 3.838 5 2 0 3.39891654684591 1850689 COC1=CC=C(C=C1)CCNC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CS4)/C#N 1 3.554 4 3 0 -10.0821910527233 1850616 COC1=CC=CC=C1/C=C/C=NNC(=O)C2=CC=CO2 1 2.422 2 3 -1.73937394988612 1850614 COC1=CC=CC=C1/C=C\C=NNC(=O)C2=CC=CO2 1 2.422 2 3 -1.73937394988612 1850590 CC1(CC2=C(CO1)SC3=C2C(=O)N4C(=N3)N(C(=O)C(=N4)CCC(=O)O)C5=CC=CC=C5)C 1 2.7 4 5 0 -27.7245185684941 1850576 CC1=C(C=C2C(=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=NN=C(S4)C)C)C 1 3.249 7 1 0 -17.0016612351603 1850575 CCOC(=O)CC(=O)CSC1=C(C=CC(=N1)C2=CN=CC=C2)C#N 1 2.402 3 3 -12.734936135558 1850568 CN1CCN(CC1)C(=O)CCN2C(=O)/C(=C\C3=C(C=C(C=C3)Cl)Cl)/SC2=S 1 3.847 3 2 -7.55558387368159 1850542 CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCCN(C)C)N 1 3.589 5 2 0 -11.5675760193123 1850472 COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)CCC(=O)NC3CCCC3 1 2.257 3 5 0 -13.5178055428312 1850528 CC1=CC(NC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)(C)C 1 3.144 2 4 -17.0459142171017 1850508 COC1=CC=C(C=C1)NCC2=CC(=O)NC3=CC=CC=C32 1 2.588 2 2 -7.27255363998738 1850488 CC(C)C(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC=C(C=C3)OC 1 3.96 2 3 -3.73429361699601 1850463 CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)C)NC4=CC=C(C=C4)NC(=O)C 1 4.525 5 1 -7.52480898099968 1850177 CCOC(=O)CSC1=NC(=O)C(=C(N1)C)OC2=C(C=C(C=C2)Cl)Cl 1 3.617 2 4 -13.4917575477588 1850240 CN1C/C(=C\C2=CSC=C2)/C(=O)/C(=C\C3=CSC=C3)/C1 1 3.231 1 1 0.450805716983215 1850202 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)OC)N3CCCCCC3 1 2.451 4 3 0 -17.1180159206282 1850135 COC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC(=O)N)SC4=C3CCCCC4 1 3.016 3 4 0 -15.1712683478661 1850102 C1=CC=C(C=C1)/C=C/C(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F 1 6.095 1 1 7.28741427538378 1849987 COC1=CC(=CC(=C1)C(=O)NNC(=S)NCC2=CC=CO2)OC 1 2.152 3 4 0 -13.5895562443423 1849949 CN1CCC2=C(C1)C(=C(C(=N2)SCC=C)C#N)C3=CSC=C3 1 3.726 3 0 -8.48446711533168 1849927 CC(=O)N(/C=C\1/C(=O)N(C(=S)S1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.482 2 2 -5.76825486065785 1849769 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4OC 1 4.745 2 2 -5.36024349912533 1849714 CCOC(=O)C1=C(N(N=C1)C2=CC(=NC3=C(C(=NN23)C)C4=CC=C(C=C4)Cl)C)N 1 3.198 6 2 0 -6.06354718094353 1849672 COC1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)OC3=CC=C(C=C3)Cl 1 5.034 3 2 1.74368134233338 1849648 CCOC(=O)NN=CC1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)F 1 4.299 3 2 -5.08649593391613 1849635 CCCCC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC=NC=C3 1 2.829 3 2 1.37354558127222 1849630 C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC4=NC=C(C=C4N3)Cl 1 3.162 3 3 -4.30961241789769 1849494 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC=CC=C2C(=O)O 1 3.216 1 7 0 -18.257111846016 1849349 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)OCCO3 1 0.751 1 5 0 -21.1414172259639 1849305 COC1=CC=CC=C1OCC(=O)NNC(=O)C(=O)N2CCCC2 1 4.7e-002 3 5 0 -16.369040748251 1849298 COC1=CC(=C(C=C1)OC)C2=CC(=NC(=C2C#N)N)C3=CN=CC=C3 1 2.632 4 2 -5.04817550577711 1849254 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)Br)CN3CCOCC3 1 3.176 3 3 -8.56745770599154 1849241 C1=CC(=CC(=C1)C(F)(F)F)CC(=O)NN=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl 1 5.159 2 4 -7.37516900866002e-002 1849203 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=NNC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O 1 4.409 3 4 0 -11.6800469483794 1849188 C1OC2=C(O1)C=C(C=C2)N3C(=O)/C(=C\C4=CSC=C4)/C(=O)NC3=O 1 2.077 2 5 0 -4.77083366975103 1849186 C1OC2=C(O1)C=C(C=C2)N3C(=O)/C(=C/C4=CSC=C4)/C(=O)NC3=O 1 2.077 2 5 0 -4.77083366975103 1849071 COC(=O)CC1=CC(=O)N2C(=N1)N=C(N2)C(F)(F)F 1 -0.143 4 3 0 -7.69165226179552 1849064 CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C(=O)C4=C(O3)C=C(C=C4)OC)C5=CC=CC=C5 1 4.945 2 4 -1.58643554423276 1849030 C=CCNC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)N 1 3.301 3 1 -18.5551461969858 1849004 C1COCCN1C2=CC=C(O2)/C=C/3\C(=O)NC(=S)S3 1 2.21 2 3 3.77246258517462 1848860 CN(C)CCNC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC=C(C=C4)OC 1 4.355 4 2 -15.5147370009689 1848773 C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=CC=CO3 1 2.774 2 3 -10.0197947065398 1848903 C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.421 4 4 0 -10.9251941019918 1848820 COC1=C(C=C(C=C1)C2=NOC(=N2)CCCOC3=CC=CC=C3)OC 1 3.517 2 4 0.38948760948783 1848746 C/C(=C\C1=CC=CO1)/C=NNC(=O)C2=CN=CC=C2 1 1.734 3 2 0 -7.73023101185822 1848719 CCCC1=NC2=C(C(=O)C3=CC=CC=C3S2)C(=O)N1CC4=CC=CC=C4 1 4.499 2 2 -0.888960554382765 1848703 CCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)CN(C)C)CC 1 2.938 3 1 -7.96989798210509 1848627 COC1=CC=CC(=C1)C2=NOC(=N2)CCC(=O)NC3CCCC3 1 2.29 3 3 -6.50250081579766 1848633 COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O 1 4.044 2 4 -10.0770026903054 1848647 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CC(=O)N)C4=CC(=CC=C4)Cl)C 1 2.397 3 4 0 -16.2061356123827 1848646 COC1=C(C=C(C=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)NCC3=CC=CO3)OC 1 1.576 3 5 0 -25.0927840237823 1848601 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)OC)NC(=O)COC4=CC=CC=C4 1 3.307 3 4 0 -10.7460137265622 1848599 C1CCC(C1)(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCOCC4 1 3.171 2 3 -14.2949819693449 1848596 CSC1=NC2=NC3=C(CCCC3)C(=O)N2N1 1 2.064 4 1 -7.77440393624907 1848531 C1=CC(=CC(=C1)CN2C(=C(SC2=O)C=NNC(=O)C3=CC=CO3)Cl)C(=O)O 1 2.602 3 5 0 -5.36309504834097 1848444 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CC(=O)N)C4=CC=C(C=C4)Cl)C 1 2.397 3 4 0 -18.3304374453118 1848423 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3 1 2.588 2 3 -15.2621119924843 1848396 CCN1CCN(CC1)C2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=C(C=C5)OC 1 4.729 4 2 -14.6253684666738 1848366 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=CC3=C(N2)C=CC(=C3OC)OC 1 3.202 3 5 0 -2.12009683254843 1848318 CC(=O)NC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)N4CCOCC4 1 1.674 4 3 0 -9.20510816789032 1848242 COC1=CC=C(C=C1)CNC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CS4)/C#N 1 3.233 4 3 0 -9.6842972084388 1848230 CCC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)C 1 3.867 2 3 8.61702034480849 1848129 COC1=CC=CC=C1N2CCN(CC2)N=C/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 3.431 4 3 0 4.58364562492518 1848127 COC1=CC=CC=C1N2CCN(CC2)N=C/C=C\C3=CC=CC=C3[N+](=O)[O-] 1 3.431 4 3 0 4.58364562492518 1847937 COC1=CC=CC(=C1OCC2=CC=CC=C2F)CNC3=CC=CC=C3O 1 4.736 1 3 1.50557505203325 1847880 COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC4=C(C=C(C=C4)OCC5=CC=C(C=C5)F)OC3=O 1 5.164 0 6 -0.661679831644771 1847825 CC(C)CC1=NN=C2N1C3=CC=CC=C3N=C2N(C)S(=O)(=O)C4=CC=C(C=C4)OC 1 3.787 5 3 0 -8.86015897452652 1847781 CC1=CC(=C(N1C2=CC=C(C=C2)O)C)/C=C\3/C(=O)NN(C3=O)C4=CC=CC=C4 1 3.177 3 3 -0.926404440437014 1847696 C1=COC(=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Br 1 3.285 3 3 -5.26999855196224 1847674 COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3=CC=CC=C3OC)S(=O)(=O)C4=CC=CC=C4 1 3.457 2 5 0 -13.2783460621198 1847667 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC(=CC=C5)Cl 1 3.53 6 3 0 -11.0478118461049 1847638 COC1=C(C=C2CN(CCC2=C1)C(=O)/C=C/C3=CC=CS3)OC 1 3.29 1 3 -12.9129596215289 1847606 CCCC(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC=CC=C3OC 1 3.953 2 3 -8.27626728726466 1847573 CN1C(=NN=N1)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 2.931 5 1 -13.8476670499423 1847491 CCCCN1CNC(=S)N(C1)CC2=CC=CC=C2 1 4.027 3 0 -5.53851052029542 1847485 CCCC1=NC2=C(C(=O)C3=CC=CC=C3O2)C(=O)N1CCCOC 1 2.289 2 4 -3.54599081579419 1847447 C1=CC=C2C(=C1)C=CC=C2OCC(=O)NNC(=O)CSCCO 1 0.892 2 4 0 -9.79804676010662 1847441 C1=CC=C(C(=C1)C2=NC(=O)/C(=C\C3=CC=CO3)/N2)Cl 1 2.725 2 2 -2.25686532587324 1847435 CC1(CC2=C(CO1)C=C3C4=C(C(=NC=N4)SCC(=O)N)OC3=N2)C 1 1.569 4 3 0 -14.7919701661982 1847354 CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O 1 4.173 2 4 -9.34036483105065 1847342 CC1=CC(=CC=C1)OCCN2C=CC=C2/C=C\3/C(=O)NC(=O)N(C3=O)CC4=CC=CO4 1 3.545 3 5 0 -5.43036513928449 1847209 CCCN1N=C(N=N1)NC(=O)C2=CC3=C(C=C2)OCO3 1 1.831 5 3 0 -10.9453119557374 1847206 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 6.375 3 2 0.545068467846772 1847069 CCCC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1C4CCCCCC4 1 4.851 3 2 -3.14873717950671 1847020 CN1C(=N/C(=C\C2=CC3=C(C=C2)OCO3)/C1=O)C4=CC=CC=C4 1 2.639 2 3 -4.81742517909946 1846994 C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.421 4 4 0 -12.3535247092554 1846950 CC1=CC(=C2C(=C1)C(=NC(=N2)SCC=C)C)C 1 4.322 2 0 -2.6088110261212 1846927 CC1=CC(=NO1)C2=NN=C(O2)SCC(=O)C3=CC4=C(C=C3)OCCO4 1 2.282 3 5 0 -19.4573212320947 1846834 CN(C1=NC2=CC=CC=C2N3C1=NN=C3C4CC4)S(=O)(=O)C5=CC=CC=C5 1 3.186 5 2 0 -9.38653090696192 1846698 CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC=CS4 1 6.142 3 2 1.24659008913582 1846661 C1CCC2=C(CC1)SC3=C2C(=O)N(C(=O)N3CC(=O)C4=CC=CC=C4)CC5=CC=CO5 1 4.623 2 4 -16.230603071214 1846652 CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O 1 5.372 2 4 -14.187792650758 1846646 CC1=NC2=C(S1)N(C3=C2C=C(C=C3)Cl)CCN4CCOCC4 1 3.042 3 1 4.28017611024706 1846604 C1=CC=C(C=C1)C(=NCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.595 2 4 -6.49125545475921 1846544 CC1=CC=CC=C1C(=O)NC2=CN3C(=C(C4=NC5=CC=CC=C5N=C43)C#N)C=C2 1 4.1 5 1 -13.2987125270883 1846514 CCCCN1CN(CNC1=S)CC2=CC=CC=C2 1 4.027 3 0 -6.48055137589939 1846507 CC1=CC=CC(=C1)C(=O)NCC2=NN=C3N2N=C(C4=CC=CC=C43)C5=CC=CC=C5 1 4.179 5 1 -9.85325557734532 1846474 CCCCC1=CC=C(C=C1)NC=C2C(=O)OC3(CCCCC3)OC2=O 1 4.473 1 4 -5.34959806347386 1846396 COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=CS3)OC 1 3.432 2 3 -5.74291109403017 1846388 COC1=C(C=C2CN(CCC2=C1)CCOC3=CC=C(C=C3)Br)OC 1 4.326 1 3 -2.94341334637598 1846312 COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3 1 4.727 3 3 -4.1561510800788 1846262 CC1=C(C=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N)C 1 4.094 3 2 -13.7738819196874 1846252 CC1=NC2=C(S1)N(C3=C2C=C(C=C3)F)CC4=CC=C(C=C4)F 1 4.546 2 0 3.59618727500531 1846193 C1=CC=C(C=C1)C(=O)NC2=CC(=O)N=C3N2NC(=N3)C4=CC=C(C=C4)Cl 1 3.089 5 2 0 -6.16549325959397 1846186 COC1=C(C=C(C=C1)/C=C\2/C(=N)N3C4=C(C=C(C=C4)S(=O)(=O)C)SC3=NC2=O)OC 1 3.407 3 5 0 -20.611105215659 1846173 CCCCNS(=O)(=O)C1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C 1 3.43 3 3 -13.2269016449409 1846162 CC1=C([N+](=O)C2=C(N1[O-])CCCC2)C3=C(C=C(C=C3)OC)OC 1 1.578 2 4 0 -4.71034721884365 1846158 C1=CC(=C(C=C1Cl)Cl)C(=O)NC2=CC(=O)N=C3N2NC=N3 1 2.01 5 2 0 -4.83875565303084 1846156 CCC1=NN=C2N1C3=CC=CC=C3N=C2N(C)S(=O)(=O)C4=CC=C(C=C4)C 1 3.581 5 2 0 -10.2095178779951 1846147 C1CN(CCN1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 1.938 3 2 0 -7.55804709353585 1846120 CN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)N(C(=S)S3)N4CCOCC4 1 2.948 3 2 -3.89451542037088 1846114 CCCC(=O)NC1=C(C(=O)C2=CC=CC=C2N1CC)C3=CC=CS3 1 4.272 2 2 -8.24396475425701 1846091 C1=CC(=CC(=C1)N2C(=NNC2=S)C3=NC=CN=C3)C(=O)O 1 1.435 5 2 0 -10.3921816041622 1846045 COC1=C(C=C(C=C1)C=NNC(=S)NC2=CC=CC=C2)COC3=CC=C(C=C3)Br 1 6.385 3 2 -7.8990456255464 1846041 C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)CCCCl 1 2.965 3 2 -10.966144449831 1845979 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCC4=C2N5CCCC5 1 4.13 4 0 -1.40697404721599 1845941 C1CN(CCC1C(=O)N)C(=O)CSC2=NC(=CC(=O)N2)O 1 -0.367 4 4 0 -17.0052842327518 1845923 CC1=CC(=CC=C1)OCC(=O)NN=CC2=C(N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O)Cl 1 3.528 3 5 0 -4.96469793099566 1845858 CCCC(=O)NC1=C(C(=O)C(=NN1C2=CC=CC=C2)C)C3=CC=CC=C3 1 4.075 3 2 -8.65753404401277 1845816 COC1=C2C=C(NC2=C(C=C1)OC)C(=O)NN=CC3=CC(=C(C=C3)OC)O 1 2.977 3 5 0 1.65544775960381 1845809 COC1=CC=CC(=C1OC)/C=C\2/C(=O)N(C(=S)S2)N3CCOCC3 1 2.416 2 4 -6.84693794749838 1845762 CN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C3=CC=CC=C3)C4=CC=CS4 1 4.464 2 2 -4.50757860417274 1845750 CC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1C4=CC=CC=C4 1 2.99 3 2 -1.4295102054128 1845726 C1CCN(CC1)C2(CCN(CC2)C(=S)NC3=CC(=CC=C3)Cl)C(=O)N 1 3.664 4 1 -10.6437185471338 1845688 C1CC(CCC1CNC(=O)CN2C(=O)C3=CC=CC=C3N=N2)C(=O)O 1 2.265 4 4 0 -31.9145940581635 1845598 CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3 1 5.189 3 2 -5.87030504162941 1845524 CCC1=C(N(C2=C([N+]1=O)CCCCC2)[O-])C 1 1.356 2 2 0 -6.21715521713707 1845489 CC1=CC=C(S1)C=NNC(=O)C2=CN=CC=C2 1 1.631 3 1 0 -4.90399093467352 1845466 CC(C)CSC1=NC=NC2=C1OC3=NC4=C(COC(C4)(C)C)C=C23 1 3.907 3 2 -11.0312326752394 1845454 C/C(=C\C1=CC=CO1)/C=NN2C=NN=C2 1 1.246 4 1 0 -3.11226426633476e-002 1845444 CCOC1=NC=NC2=C1OC3=NC(=C4COC(CC4=C23)(C)C)CC(C)C 1 4.021 3 3 -4.85255015542142 1845277 C1=CC=C(C=C1)C=NNC(=O)CC2=CC=CS2 1 2.671 2 1 -7.67320005009453 1845211 C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Cl 1 4.659 3 2 -4.33176604769423 1845204 CC(C)CN(CC1=CC(=O)OC2=CC3=C(CCCC3)C=C12)CC(C)C 1 5.83 1 2 -5.98942026005751 1845020 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl 1 2.289 3 3 -7.13313524227957 1845011 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCOCC4)NS(=O)(=O)C5=CC=C(C=C5)Cl 1 3.706 4 4 0 -5.02723207844074 1844906 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)NN=CC3=CC=CC=C3Cl 1 3.976 3 2 -1.14339588570718 1844870 C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)COC3=CC=C(C=C3)Cl 1 2.866 5 4 0 -21.5841368283843 1844864 CC1=NC(=NC2=CC3=C(C=C12)OCO3)NC(=O)C4=CC=C(C=C4)F 1 2.95 3 3 -4.35666040986943 1844827 CC1=C(C=CC=C1Cl)NC(=S)N2CCC3=CC(=C(C=C3C2)OC)OC 1 5.824 2 2 -12.4611139455756 1844676 CC1=CC(=CC=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=CC=C5)N 1 4.964 4 2 -9.29130461700966 1844663 CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC#C)C(=O)C 1 4.974 1 2 -7.10935394339043 1844555 CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-] 1 3.525 5 4 0 -13.3946431724565 1844494 COC(=O)[C@H](CCSC)NC(=O)NC1=CC(=CC=C1)Br 1 2.213 2 3 -15.6587566307668 1844484 CC1=NN=C(S1)SCC(=O)NC2=NC=C3C(=N2)CC(CC3=O)(C)C 1 1.471 5 2 0 -27.7556269428532 1844446 CN1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=CC=C3OS(=O)(=O)C4=CC=CC=C4)/S2 1 3.501 3 4 0 -9.81793378777723 1844438 C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C(=O)NC3=CC4=C(C=C3)OC(=O)C=C4 1 4.553 1 4 1.04917146131359 1844390 C1=CC=C(C=C1)N2C=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3N=CC6=CC=NC=C6 1 3.743 7 1 0 -3.6127214205275 1844148 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)O 1 1.287 7 3 0 -29.3152173714166 1843976 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCC4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5 1 4.949 3 4 0 -3.62111071210749 1843940 C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 4.086 4 4 0 -7.13596481645537 1843886 C=CCOC1=C(C=C(C=C1)Cl)C(=O)O 1 2.724 0 3 -4.89811510106389 1843884 C1=CC=C(C=C1)/C=C/C=NNC(=O)C2=CC=CC=N2 1 2.321 3 1 -2.67955243899252 1843840 COC1=C(C2=C(C=C1)NC(=C2)C(=O)NN=CC3=CC=CC=C3OC)OC 1 3.219 3 4 0 -1.73789803603932 1843741 CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)C(C)(C)C)C 1 4.042 6 1 0 -13.857766815046 1843619 COC1=CC=C(C=C1)N2CCN(CC2)C3=C(N=C(O3)CC4=CC=CC=C4)C#N 1 3.894 4 2 -4.89862894649515 1843579 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)CCCCl 1 3.996 3 2 -8.09130020465073 1843541 C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3 1 2.423 2 4 -16.117459649399 1843494 CC1=CC=C(C=C1)C2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2C5=CC(=CC(=C5)C)C 1 6.113 3 2 -0.394906323739588 1843492 C1=CN(C(=C1)/C=C\2/C(=O)NC(=O)N(C2=O)CC3=CC=CO3)CCOC4=CC=C(C=C4)Cl 1 3.723 3 5 0 -4.60281501131168 1843455 COC1=CC=CC=C1N2CCN(CC2)N=C/C(=C/C3=CC=CC=C3)/Cl 1 3.905 3 1 -0.263584090100195 1843432 C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5S4)Cl 1 4.536 5 1 5.76933188139197 1843394 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)N3CCOCC3)O 1 2.539 2 4 -5.79579410072078 1843362 COC1=CC=C(C=C1)CC(=O)NCC(=O)NN=CC2=C(C=CC(=C2)Br)OC 1 2.493 3 4 0 -10.1866673844312 1843202 CC1=C(C=CC(=C1)Cl)NC(=S)NCCCN2CCCC2=O 1 3.379 3 1 -21.4528433515461 1843127 CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)OCC 1 4.005 8 4 0 -24.918835924087 1842972 COC1=C(C=C(C=C1)C2=NOC(=N2)CCCC(=O)NC3=CC=CC=C3OC)OC 1 2.888 3 5 0 -10.8664461528666 1842917 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NNC(=S)NCC3=CC=CO3 1 3.714 3 2 -14.9554060317194 1842916 CC1=CC=C(C=C1)C2=NC3=NC(=O)C=C(N3N2)NC(=O)C4=CC=CS4 1 2.864 5 2 0 -7.81979400701653 1842895 C1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3NC2=O)S(=O)(=O)C4=CC=CC=C4 1 3.489 2 3 -11.828648095256 1842888 CC1=CC=C(C=C1)CN2CCN(CC2)N=C/C(=C/C3=CC=CC=C3)/Br 1 4.403 3 0 0.261155609266643 1842884 CC1=CC=C(C=C1)CN2CCN(CC2)N=C/C(=C\C3=CC=CC=C3)/Br 1 4.403 3 0 0.261155609266643 1842869 C1=CC=C(C=C1)/C=C/C=NNC(=O)C2=CC=CS2 1 2.996 2 1 -0.858983697153216 1842855 CC1=NC2=C(C(=NN2C(=C1)NC3=CC=CC=C3)C)C4=CC=CC=C4 1 4.275 4 0 -3.59126520773935 1842681 CCOC(=O)/C(=C/C1=C(N=C2C(=CC=CN2C1=O)C)N3CCN(CC3)C)/C#N 1 1.384 5 3 0 -14.6853344887094 1842632 CC1=C(C(=O)/C(=C\C2=CC=CS2)/N1C3=CC=C(C=C3)F)C(=O)OC 1 3.794 1 3 -7.51658783313343 1842616 CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3 1 3.888 2 2 -11.4256842378141 1842588 C1CCN(CC1)C2=CC=C(O2)/C=C(/C#N)\C(=O)NCCC3=CNC4=CC=CC=C43 1 4.142 4 2 -15.2689699789085 1842494 CC1=CC=CC(=C1)C2=NOC(=N2)CCC(=O)NCC3=CC=CO3 1 2.155 3 3 -9.39657811906427 1842481 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F 1 3.649 3 5 0 -4.96937400767931 1842343 CC1=CSC(=N1)NC(=O)CCN2C(=O)/C(=C/C(=C/C3=CC=CC=C3)/C)/SC2=S 1 4.125 3 2 -14.8866397269124 1842360 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C/4\C(=O)NC(=O)N(C4=O)C 1 2.005 3 5 0 -4.84917847771785 1842435 CC1=CC=C(O1)/C=C\2/C(=N)N3C=C(SC3=NC2=O)C 1 1.866 3 2 0 -8.43902848814878 1842377 CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)N4CCN(CC4)C(=O)C5=CC=CO5 1 5.375 5 2 0 -2.09429662874896 1842380 C1=CC=C(C=C1)CNN=CC2=CC3=C(C=C2)N=CC=C3 1 3.127 3 0 0.865020479161485 1842172 CC1=CC(=NO1)C2=NN=C(O2)SCC(=O)NC3=NC(=CS3)C4=CC=CC=C4 1 2.821 5 3 0 -17.3183284792075 1842164 CC(C)N1C=NC2=C1C=CC(=C2)NCC3=CC=CC=N3 1 2.734 4 0 -3.05956983626823 1842144 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCC4=CC(=C(C=C4)OC)OC)C5CCCCC5 1 5.411 3 4 0 -3.3759935329177 1842138 CCOC1=CC=C(C=C1)C=NNC(=O)C2=CC3=C(N2)C=CC=C3OC 1 3.584 3 3 -2.08091602785242 1842115 COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4N3)Cl 1 5.838 4 3 0 -1.87061646957505 1842086 CCCC1=C2CCCCC2=C3C4=C(C(=NC=N4)OC)OC3=N1 1 4.473 3 2 -0.723237937237158 1842072 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)C3=CC=CS3)C)C 1 4.182 1 1 4.33021661734505 1842066 CCOC(=O)C1=C2CCCCN2C3=C1N=CN=C3NCC4=CC=CC=C4 1 3.499 4 2 -6.88028799330769 1842045 COC1=CC=CC=C1NC(=O)C(=O)/C=C(/C2=CC=CC=C2)\O 1 2.404 1 4 -6.17232345341663 1842043 C1COCCN1N2C(=O)/C(=C/C3=CC=CC=N3)/SC2=S 1 1.726 3 2 0 -5.38359654091444 1842041 CCCC(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3 1 2.24 3 3 -14.0987540414462 1842021 CCOC1=CC=C(C=C1)C=NNC(=O)C2=CC3=C(N2)C(=C(C=C3OC)OC)OC 1 3.551 3 5 0 -4.96209226153963 1842007 C1=CC=C2C(=C1)C=CC=C2COC3=C(C=C(C=C3)Br)C=NNC(=O)CC#N 1 4.302 3 2 -5.56092597517495 1841912 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)C4CCCC4)C5=CC=CO5 1 3.875 3 3 -0.887093237955726 1841882 C1=CC2=C3C(=C1)NC(=NC3=CC=C2)NC(=O)C4=CC=C(C=C4)Cl 1 3.974 3 1 -6.36830170387243 1841880 COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)N2CCOCC2)Br)O 1 1.728 2 4 0 -9.66842829960612 1841843 CCOC1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC=CC=C2 1 4.342 3 2 -14.6836040377285 1841807 C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=CC=C(C=C3)Cl 1 1.568 5 1 0 0.166383764829007 1841561 CCOC1=CC2=C(C=C1)NC(C3=C2C(=S)SS3)(C)C 1 4.089 1 1 -19.1156091388251 1841525 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O 1 3.512 2 7 0 -20.1662639347072 1841495 C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NCC(=O)O 1 0.621 4 4 0 -31.2972209099018 1841487 C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCCCCC(=O)O 1 1.832 3 4 0 -15.2459844418026 1841427 CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)NN=CC1=C2C(=CC=C1)N=CC=N2 1 1.929 5 3 0 -18.588251007225 1841376 CCC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CCNC(=O)OC(C)(C)C 1 3.009 4 4 0 -27.1560776599022 1841216 CC(C)(C)OC(=O)NCCC(=O)NN=CC1=CC=CC2=C1N=CC=C2 1 2.087 4 3 0 -14.3249502945848 1841174 CC1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NCC=C)C#N)N 1 3.356 3 1 -12.4211037017072 1841163 CN1CCN(CC1)C(=O)C(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 1.099 3 4 0 -11.6445775893949 1841156 CCCCNC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C 1 3.827 3 2 -17.6769587967531 1841116 C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=NC=CN=C3 1 0.494 7 3 0 -23.3624967781001 1841082 CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCO4)OS(=O)(=O)C 1 4.123 0 7 0 -4.8821903157409 1841038 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)N5CCCCC5)/C#N 1 1.571 7 3 0 -30.2102460868036 1841026 CCN1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)OCC 1 1.733 5 3 0 -16.0736910889531 1841021 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/S(=O)(=O)C3=CC=CC=C3)N4CCCCC4 1 2.986 4 3 0 -16.8328612097986 1840988 C=CCN1C(=O)/C(=C/C2=CC=C(C=C2)O)/SC1=NC3=NC=CS3 1 3.357 3 2 -6.67570306703664 1840924 CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4 1 3.781 2 2 4.38361752493661 1840915 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NC)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.724 6 2 0 -13.5902473997548 1840912 CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OS(=O)(=O)C 1 3.153 0 7 0 -5.76109625028457 1840893 CC1=CC(=CC=C1)COC2=C(C=C(C=C2Br)C=NN=C(C3=NON=C3N)N)OC 1 3.548 6 3 0 -2.84798209322313 1840878 C1CCC(CC1)NC(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCC(CC4)C(=O)N)/C#N 1 1.317 6 3 0 -20.3509021252128 1840858 C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)C=C(C#N)C#N 1 2.284 6 1 0 -7.81340711340989 1840857 C1=C(N=CN=C1Cl)NCCO 1 0.733 3 1 0 -0.935676322393405 1840840 CN1C(=NN=C1SC(=NNC2=CC=C(C=C2)Cl)C(=O)OC)C3=CC=C(C=C3)OC 1 4.701 5 3 0 1.22482042041125 1840818 COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4 1 3.29 2 5 0 -6.91261517761778 1840798 CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)OCC)SC4=C3CCN(C4)C 1 4.214 3 4 0 -30.2069176735065 1840789 CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl)C4=CC=C(C=C4)N 1 3.161 6 2 0 -9.24043866357043 1840778 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CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC=CN=C4 1 3.234 6 1 0 -13.6689487938953 1834496 CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C#N)N3CCN(CC3)C4=CC=C(C=C4)OC 1 2.714 6 2 0 -8.3213765018075 1834491 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NC)N3CCN(CC3)C 1 0.388 6 2 0 -18.4998121473117 1834347 COC1=C(C=C(C=C1)C2=NOC(=N2)CCCC(=O)NC3CCCC3)OC 1 2.73 3 4 0 -10.8312052757935 1834346 CN(C)CCNC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CCC4=CC=CC=C4 1 4.7 4 1 -13.2880347816247 1834326 CC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CNC4=CC=CC=C4 1 2.963 9 2 0 -24.5166374854889 1834301 CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC(C)C)SC4=CC=CC=C4)C=C1 1 5.376 3 2 -13.3435653974681 1834275 C1COCCN1CCNC(=O)/C(=C\C2=CC=CC=C2Cl)/NC(=O)C3=CC=CC=C3 1 2.485 3 3 -18.909384993386 1834242 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NCCOC)N3CCCCCC3 1 1.673 5 3 0 -25.6461042542346 1834222 C1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/S(=O)(=O)C4=CC=CC=C4 1 2.54 4 3 0 -16.4765548354028 1834210 CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCCC4=C2NCCOCCO 1 3.101 4 2 -4.72160163117281 1834196 CC1=CC2=C(C=C1)N(C3=C2N=CN(C3=O)CC4=CC=C(C=C4)F)C 1 4.022 3 1 2.38799328779667 1834182 CCCC1=CC(=O)N=C(N1)N=C(N)NC2=CC=CC=C2 1 1.507 5 1 0 -9.08569284798114 1834145 CC1=CC=C(C=C1)NC(=NC2=NC(=O)C=C(N2)COC)N 1 1.18 5 2 0 -10.1314065644636 1834128 CC1=CC(=O)N2C(=N1)N=C(N2)NCC3=CC(=CC=C3)OC 1 0.725 5 2 0 -4.5957188505052 1834119 CC(=O)C1=CC(=CC=C1)NC2=NC(=O)C3=C(S2)N=CC=C3 1 2.735 3 2 -7.25784858143064 1834115 CCNC(=O)/C(=C/C1=C(N=C2C=CC=CN2C1=O)N3CCCCCC3)/C#N 1 1.706 5 2 0 -20.8998208465168 1834108 C1=CC=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)CNC(=O)C5=CC=C(C=C5)Cl 1 4.357 5 1 -8.1117135344917 1834092 CC1=CC=C(C=C1)NN=C(C(=O)OC)N2CCCC3=CC=CC=C32 1 4.034 3 2 -4.07562999040553 1834029 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)/C=C(\C#N)/C(=O)N 1 2.945 5 2 0 -15.282178847372 1834023 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)N)N3CCCCCC3 1 1.598 5 2 0 -17.2474675442611 1834019 CC1=NC2=NC(=CC(=O)N2N1)CSC3=CC=C(C=C3)Cl 1 2.314 4 1 -1.11366077930934 1834005 CC1=NC(=CS1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC4=CC=CC=C43 1 3.889 2 2 2.9946465754328 1833953 CN1C2=CC=CC=C2C(=C1CC(=O)NC3=CC=CC=C3)SC4=CC=CC=C4 1 5.558 2 1 -2.75669993498434 1833924 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)OC)N3CCN(CC3)C4=CC=C(C=C4)OC 1 2.691 5 4 0 -13.8758342868275 1833916 CCN(CC)CCOC(=O)C1=CC=C(C=C1)N/C=C(/C#N)\C2=NC(=CS2)C3=CC(=CC=C3)OC 1 4.48 4 3 0 -8.90403588146768 1833849 CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3)C5=CC=C(C=C5)N 1 4.929 4 1 -1.42830798442736 1833850 C=CCNC(=S)N1CCC2=C(C1)C3=CC=CC=C3N2 1 3.767 3 0 -12.9598632805729 1833851 CC1=C(C2=C(N1C)C=CC(=C2)OC(=O)C3=CC=CO3)C(=O)OCCOC 1 3.026 1 6 0 -8.52078358415693 1833881 CCCSC1=NC2=C(C=C(C=C2C(=N1)C)C)C 1 4.578 2 0 -2.69970427053848 1833878 C1CC(=O)N(C1=O)CCCCCC2=NC(=NO2)C3=CC=CC=C3 1 2.062 3 3 -4.09302484232133 1833874 C1CN(CCN1CC2=CC=CC=C2)CC3=NC(=NC(=N3)NC4=CC=CC=C4)N 1 2.656 7 0 0 1.80074942369595 1833815 CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)C4CCCCCC4)C5CCCCC5 1 5.854 3 2 -1.90404962386614 1833770 CC1=CC(=C(C=C1)NC(=NC2=NC(=O)C=C(N2)CC(=O)OC)N)C 1 1.752 5 3 0 -15.7214590560068 1833765 CCOC(=O)C1=CN=C(NC1=O)N2CCN(CC2)C 1 -0.424 4 3 0 -6.93210484893108 1833763 COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O 1 4.325 3 3 -9.5664203437256 1833740 C1=CC=C(C=C1)C2=CC(=CC3=CC=CC=C32)O 1 4.014 0 1 7.35159234850635 1833729 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NC)N3CCN(CC3)C4=CC=C(C=C4)OC 1 2.043 6 3 0 -18.4058087584341 1833673 C1=CC(=CC=C1C(=O)NCCC2=CNC3=C2C=C(C=C3)Cl)[N+](=O)[O-] 1 3.795 3 3 -7.86722293469996 1833672 C1=CC=C(C(=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)NCC3=CC=CO3)F 1 1.815 3 3 0 -21.3240826762895 1833641 CCN(CC)CCOC(=O)C1=CC=C(C=C1)N/C=C(/C#N)\C2=NC(=CS2)C3=CC=C(C=C3)OC 1 4.48 4 3 0 -11.1837301998767 1833583 CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4)Br 1 4.99 5 1 1.85656811305668 1833546 CCOC(=O)/C(=C/C1=C(N=C2C(=CC=CN2C1=O)C)N3CCN(CC3)C4=CC=C(C=C4)OC)/C#N 1 3.04 5 4 0 -14.5202881511967 1833531 CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C#N)N3CCN(CC3)C4=CC=CC=C4 1 2.731 6 1 0 -8.1697134878056 1833515 CCNC(=O)/C(=C/C1=C(N=C2C(=CC=CN2C1=O)C)N3CCN(CC3)C4=CC(=CC=C4)Cl)/C#N 1 3.073 6 2 0 -13.3671570773419 1833474 COC(=O)/C(=C/C1=C(N=C2C=CC=CN2C1=O)N3CCCCCC3)/C#N 1 2.005 4 3 0 -16.7617095462325 1833452 CCOC(=O)C1=CN=C(N=C1CSC2=NC=CC=N2)NC3=NC4=CC=CC=C4O3 1 2.839 6 3 0 -7.39989391883168 1833437 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)CNC(=O)C3=CC=C(C=C3)Br 1 2.386 4 2 -12.9190972076085 1833430 C1=CC(=CC=C1C(=O)NN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O)O 1 2.186 2 8 0 -17.278124533261 1833386 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=N3)C4=CN=CC=C4 1 3.292 3 2 -11.7186281076599 1833365 C1=CC=C(C(=C1)/C=C/C=NN2C(=NNC2=S)C3=CC=CO3)[N+](=O)[O-] 1 3.397 5 3 0 0.849467388568164 1833108 CN(C)CCNC1=C(N=C(O1)COC2=C(C=C(C=C2)Cl)Cl)C#N 1 3.195 4 2 -4.38338547773271 1833009 CSC1=NSC2=NC(=O)/C(=C\C3=COC4=CC=CC=C4C3=O)/C(=N)N21 1 3.15 4 3 0 -8.22733489639502 1833008 CSC1=NSC2=NC(=O)/C(=C/C3=COC4=CC=CC=C4C3=O)/C(=N)N21 1 3.15 4 3 0 -8.22733489639502 1832998 CC1(CC2=C(CS1)SC3=C2C(=O)N(C(=N3)SCC(=O)NCC4=CC=CC=C4)C5=CC=CC=C5)C 1 5.526 3 2 -35.6352176166991 1832952 CN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C3=CC=C(C=C3)F)C4=CC=CC=N4 1 3.994 3 2 -0.634945424306322 1832918 COCCN1C(=NC2=C(C1=O)C(=O)C3=C(O2)C=C(C=C3)OC)C4=CC=C(C=C4)Br 1 3.5 2 5 0 -2.82058891168036 1832862 CCOC(=O)CC(=O)CSCC(=O)NC1=CC=C(C=C1)C 1 1.884 1 4 0 -11.3937495189213 1832834 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=N5 1 4.153 5 3 0 -13.6932865227721 1832829 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=CC=C3)O 1 3.674 2 5 0 -7.2930689595112 1832698 CCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=CO4)CCC 1 3.525 2 2 -9.15048130171677 1832692 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.542 2 5 0 -19.8994114025643 1832662 COC1=C(C(=CC=C1)OC)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=NC=C4)/O3 1 3.385 1 6 0 -7.64577127163997 1832628 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 5.958 1 3 -4.55918878519207 1832584 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NCCC3=CNC4=CC=CC=C43 1 4.632 3 2 -21.2577421200392 1832572 C1COCCN1C(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)/C#N 1 2.435 2 5 0 -14.5639476293836 1832528 C1CCN(CC1)CC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3 1 3.086 3 3 -13.5191544807835 1832489 C1=CC=C2C(=C1)N=C(S2)NS(=O)(=O)C3=CC(=C(N=C3)Cl)Br 1 3.414 3 2 3.1229131555868 1832447 CCN\1C(=O)CS/C1=C(\C#N)/S(=O)(=O)C2=CC=CC=C2 1 1.523 2 3 0 -12.69951132173 1832442 C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=CC=C2[N+](=O)[O-])/C#N 1 2.822 3 3 -14.9988011144185 1832425 CC1=CC(=CC(=C1)N2C(=O)/C(=C/C3=C(N(C(=C3)C)C)C)/C(=O)NC2=O)C 1 3.21 3 3 -3.49570472467699 1832303 CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NNC(=O)C1=CC=NC=C1 1 1.824 4 2 0 -9.34534230926794 1832393 C1=CC=C2C(=C1)N=C(S2)NC3=NC=C(C(=N3)C4=CC=C(C=C4)F)C#N 1 4.142 5 0 5.09549353578894 1832377 COC1=CC=CC(=C1)NC(=S)N2CCC3=CC(=C(C=C3C2)OC)OC 1 4.657 2 3 -15.3048843822367 1832372 CC1=NC(=NC=C1C(=O)OCCOC)NC2=NC3=CC=CC=C3O2 1 1.559 4 4 0 -8.05620050481595 1832317 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCCCC2 1 3.676 2 4 -18.3383584921432 1832224 CN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C3=CC=C(C=C3)F)C4=CC=CS4 1 4.67 2 2 -2.83164101418574 1832211 CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N=C(N)NC3=CC=CC4=CC=CC=C43 1 3.763 5 1 -7.61310835532141 1832219 CCC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)N3CCCCC3 1 2.378 5 2 0 -15.7790560064766 1832268 CC1=CC=CC(=C1)C2=NOC(=N2)CCC(=O)NCCC3=CC=CC=C3 1 3.295 3 2 -7.46635283743558 1832260 COC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)C=NNC(=S)N 1 2.695 3 4 0 -9.26998001287993 1832251 C1=CC=C(C=C1)N2C(=O)/C(=C\C3=COC4=C(C3=O)C=C(C=C4)O)/C(=O)N2 1 1.528 2 5 0 1.47161267934475 1832171 C1CCC2=C(CC1)SC3=C2C(=O)N(C(=O)N3CCN4CCCCC4)CC5=CC=CO5 1 4.423 3 3 -13.778844413045 1832159 COC1=CC=CC(=C1)C2=NOC(=N2)CCCC(=O)N3CCOCC3 1 1.237 3 4 0 -5.21778954293422 1832154 CN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/S(=O)(=O)C4=CC=CC=C4 1 1.58 5 3 0 -13.4971494393892 1832052 CC1=CC=C(C=C1)C2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2CCC5=CC(=C(C=C5)OC)OC 1 5.435 3 4 0 -2.97818129877988 1832044 C1=CC=C(C=C1)N2C(=O)C3=CN=C(N=C3NC2=O)SCC4=CC(=CC=C4)Cl 1 4.418 4 2 -6.99062150195769 1832000 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NC)N3CCN(CC3)C4=CC=CC=C4 1 2.06 6 2 0 -18.2541457444322 1831986 CN(C)C(=O)C1=COC2=NC3=CC=CC=C3N=C12 1 1.639 3 2 0 -4.72825850316988 1831876 C1=CC=C(C(=C1)NC(=O)C2=COC(=O)C(=C2)Br)F 1 1.726 1 3 0 -4.8335897765315 1831809 CCOC1=C(C(=CC(=C1)C=NN=C(C2=NON=C2N)N)Br)OCC3=CC=C(C=C3)Cl 1 4.075 6 3 0 -3.31927970786581 1831800 C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NCCCC(=O)O 1 1.191 4 4 0 -35.4239390886035 1831782 CCCOC1=CC=C(C=C1)CN2C=NC3=CC=CC=C32 1 3.991 2 1 -3.91017862361433 1831760 CCC1=NC2=C(C(=O)C3=CC=CC=C3S2)C(=O)N1CCOC 1 2.329 2 3 -3.81653924192475 1831701 CC(C)C(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC=CC=C3Cl 1 4.64 2 2 -3.67866748521573 1831699 CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=NN=C(S3)SC)C 1 2.932 3 3 -11.4652699218028 1831698 CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCOCC4)/C#N 1 1.797 4 4 0 -17.1696313188795 1831694 C1=CC(=CC(=C1)F)NC(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC=CO3 1 2.567 2 4 -11.9094623405884 1831659 CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)C 1 2.86 3 5 0 -9.97233778688595 1831651 CCC1=CC=CC(=C1N(COCC)C(=O)CN2C=NC3=CC=CC=C32)C 1 4.022 3 2 -9.78395679884989 1831624 C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)CNC5=CC=CC=C5 1 4.044 9 3 0 -25.6468367167279 1831623 C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCCO 1 1.051 5 1 0 -3.00926799606501 1831543 CC1=C(C(=CC=C1)C)NC(=S)N2CCC3=CC(=C(C=C3C2)OC)OC 1 5.646 2 2 -15.6075354623342 1831540 COC(=O)/C(=C/C1=C(N=C2C=CC=CN2C1=O)N3CCN(CC3)C4=CC=CC=C4)/C#N 1 2.261 5 3 0 -13.5366377473393 1831502 CCC(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC=CC=C3Cl 1 4.178 2 2 -0.210400696742907 1831498 CC1=CC=CC=C1C(=O)N=C2C=CN(C=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)F 1 4.368 5 3 0 -8.05925060553906 1831489 COC1=CC=CC=C1C2=NOC(=N2)CCCC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.923 4 4 0 -13.8074816870264 1831467 COC1=CC=CC=C1N2C=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3CCC6=CC=CC=C6 1 5.137 5 2 0 -9.9483511416643 1831449 C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC(=C3)NC(=O)C4=CN=CC=C4)Cl 1 3.569 4 1 -1.86273634476584 1831382 CCOC1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CC4=C(C=C3)OCO4)C#N 1 3.577 3 4 0 -2.17473211518607 1831361 C=CCNC(=S)N=C1C=CC=CN1CC2=CC=CC=C2 1 3.216 3 0 -10.325414647749 1831349 C1=CC=C2C(=C1)C=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O 1 2.467 3 3 -9.34915683128539 1831288 CCN1CCN(CC1)C2=NC3=C(C(=N2)C)C(=O)CCC3 1 1.231 4 1 0 -5.62267339772472 1831284 CC1=CC(=NN1C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O)C 1 3.377 2 4 -5.39578495880864 1831280 CCCCCC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1C4=CC(=CC(=C4)C)C 1 5.997 3 2 -0.608322255447181 1831278 CC1=NC2=C(S1)N(C3=CC=CC=C32)CC4=CC=CC=C4F 1 4.341 2 0 -0.390789361018337 1831249 COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)CCCC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.89 4 6 0 -13.4610402262147 1831159 CCOC(=O)C1=C(SC2=C1CC(SC2)(C)C)NC(=S)NC3=CC=CC=C3 1 5.641 2 2 -17.6683805613818 1831132 C1=CC=C(C(=C1)C(=O)NN2C(=O)/C(=C/C3=CC=C(C=C3)O)/SC2=S)O 1 3.396 2 4 -3.53646322761116 1831123 CC1=NC2=C(C(=C1C(=O)O)C3=CC=CC=C3)SC4=NC(=C5COC(CC5=C24)(C)C)N6CCOCC6 1 4.499 3 4 0 -12.0994373554254 1831044 CC1=NN2C(=O)C3=C(N=C2N1C4=CC=CC=C4)SC5=C3CC(OC5)(C)C 1 2.979 4 2 -20.0577698892772 1831000 CCOC(=O)C1=C(SN=N1)N 1 0.385 3 2 0 -7.40638702206752 1830938 CC(=O)C1=CC(=C(C=C1)OC)CSCCC#N 1 2.081 1 2 -10.9882472548278 1830937 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3S(=O)(=O)N 1 2.784 3 5 0 -7.61489457050609 1830930 CC(C)C[C@@H](C1=NNC(=S)N1N)NC(=O)OC(C)(C)C 1 2.09 5 2 0 -17.152789312533 1830906 CC1=NC(=CC=C1)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 5.598 3 1 -1.77219558627843 1830901 C1=CC=C(C(=C1)N2C(=NNC2=S)CC3=CC=CS3)Cl 1 4.331 3 0 -5.56014985703738 1830897 C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)NS(=O)(=O)C3=CC=CC=C3)Cl 1 2.038 3 3 -4.15250596746497 1830867 CC(C)(C)C1=CC=[N+](C=C1)C2=C(SC(=N2)[O-])C=NNC(=O)C3=CC=CC=C3 1 4.147 4 2 -9.49507378162463 1830852 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC=CC=C2 1 4.738 2 5 0 -21.5402943547821 1830850 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)NC(=O)OC 1 1.474 4 7 0 -8.71468969268179 1830756 CCOC(=O)C(=CNC1=CC=C(C=C1)NC2=NCC(S2)(C)C)C(=O)OCC 1 2.991 3 4 0 -6.73929512811279 1830754 CC1=C(C(=S)C2=C(N1)C=CC(=C2)Br)C/C=C/Cl 1 4.397 1 0 -3.5078812446655 1830838 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OC 1 0.91 4 5 0 -24.065271871788 1830823 C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=CC=N4 1 4.725 5 0 -8.73187088270214 1830730 C1=CC=C(C=C1)CNC(=O)C(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 2.832 3 2 -5.57427327068342 1830783 CCCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)CCCl 1 3.277 3 2 -17.2262287566105 1830778 CC1=C[N+](=CC=C1)C2=C(SC(=N2)[O-])C=NNC(=O)CCN3C4=CC=CC=C4C5=CC=CC=C53 1 5.032 5 2 0 -11.6153155034723 1830662 CCOCC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)OCC(C)C 1 3.575 2 3 -12.7883576884115 1830663 CC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=CC=CS3 1 3.675 2 1 -8.4594370824211 1830670 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(NC3=CC=CC=C3C2=O)O 1 1.843 3 5 0 -10.1735964749671 1830672 CCN1CCC2=C(C1)SC(=C2C#N)N 1 1.323 3 0 0 -2.50200248566024 1830610 CC(C)CN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3N2C)C4=CC=CO4 1 3.664 3 3 -1.60270710529552 1830598 C=CCN1C(=NN=C1SC/C=C/C2=CC=CC=C2)CC3=CC=CS3 1 5.064 3 0 -10.8859945349457 1830592 COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)F 1 4.21 5 4 0 -13.0997902157129 1830589 CC1=CC(=CC(=C1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4N3C)C5CCCCC5)C 1 6.088 3 2 0.188683672502419 1830536 COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCCCN4CCOCC4 1 1.424 6 2 0 1.1255695016711 1830532 CC1CCN(CC1)CC2=CC(=O)OC3=C(C=C(C=C23)C)C 1 4.074 1 2 -4.25121911430317 1830507 CCN(CC1=CC2=C(C=CC(=C2)C)NC1=O)S(=O)(=O)C3=CC=CC=C3 1 2.748 2 3 -12.2130128602182 1830493 CC1=NC2=NC=NN2C(=C1)NC3=C(C=C(C=C3)F)F 1 3.023 5 0 -8.10010908997414 1830491 CC1=C(C=CC(=C1)S(=O)(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OC)F 1 3.655 2 4 -3.72765674086063 1830475 COCCN1C(=NC2=C(C1=O)C(=O)C3=C(O2)C=C(C=C3)OC)C4=CC=C(C=C4)Cl 1 3.416 2 5 0 -1.36392916657892 1830371 C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC#CCSC3=NN=C(O3)C4=CC=NC=C4)Cl 1 4.974 3 3 -5.08195501507491 1830370 COCCNC1=C(N=C(O1)C2=CC=CC=C2Cl)C#N 1 2.426 3 2 -2.49207078497396 1830350 CN1CCN(CC1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC 1 2.716 3 4 0 -15.5813221172744 1830297 C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)NCC2=CC=NC=C2 1 3.204 2 2 -10.6494222213675 1830288 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(=O)O 1 2.796 2 6 0 -12.1506303165832 1830278 C1CCN(CC1)C2(CCN(CC2)CC3=CC=C(C=C3)F)C(=O)N 1 2.06 3 1 1.35135214492114 1830261 CCC(=O)NC1=CC(=O)N=C2N1NC(=N2)C3=CC=C(C=C3)Cl 1 2.092 5 2 0 -4.86252306959916 1830239 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=NNN=N3)CC(=O)O 1 1.761 4 5 0 -11.7753515529482 1830168 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC 1 5.539 3 4 0 -12.1996249679774 1830158 CCOC1=C(C=C(C=C1Br)/C=C\2/C(=O)OC(=N2)C)Br 1 3.477 1 3 -6.50798278400964 1830144 CC1=CC(=NO1)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)F 1 2.702 3 3 -14.8474713053846 1830063 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)OC 1 3.622 5 5 0 -24.1232940336641 1830012 CCOC(=O)CCP(=O)(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)O 1 2.72 0 5 -7.68413368908469 1829974 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)OC1=O 1 2.497 3 4 0 -9.97013287956218 1829972 CCCCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3O2)C4=CC=CO4 1 3.623 2 4 -8.50003602698928e-002 1829960 CCOC(=O)C1CCN(CC1)C(=O)N(C)C 1 0.457 2 3 0 -12.0824931037884 1829959 C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4C=CC(=NC(=O)C5=CC=CS5)C=C4 1 3.629 5 3 0 -10.0802017893319 1829935 C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N 1 2.127 5 3 0 -11.1491915300743 1829912 COC1=CC(=C(C=C1)OC)C2=NC3=CC4=CC=CC=C4C=C3N=C2C5=CC=CC=C5 1 6.063 2 2 5.28662774396357 1829855 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=NC=C(C=C2)Br 1 3.882 3 2 -7.60107243081121 1829848 C1=CC(=CN=C1)C(=O)NN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O 1 1.277 3 7 0 -21.0468097277937 1829813 CCN1C(=O)C2=CC3=C(CCCC3)N=C2N=C1SCC4=CC=C(C=C4)Cl 1 5.095 3 1 -12.9213928047675 1829765 CC1=CC=C(C=C1)CN2C(=O)/C(=C\C3=C(N(C(=C3)C)CCOC)C)/NC2=O 1 2.472 3 3 -11.5619309048395 1829642 CC1(CC2=C(CO1)C(=NC(=N2)C3=CC=CC=C3)SCC(=O)N4CCCC4)C 1 3.082 3 2 -12.2580537452832 1829624 CCOC(=O)C1=CN=C(N=C1OC2=CC=C(C=C2)C#N)N3C(=CC(=N3)C)C 1 3.409 5 3 0 -6.5501234308611 1829558 C1=CC(=CC=C1C(=O)NCSC2=NC(=NC=C2)SCNC(=O)C3=CC=C(C=C3)F)F 1 4.283 4 2 -7.58307106787178 1829532 CC1=CC(=CC(=C1)N2C=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3C6=CC=CC=C6OC)C 1 5.781 5 2 0 -8.36142841678869 1829496 COC1=CC=CC=C1N2CCN(CC2)C(=S)NC(=O)/C=C/C3=CC=C(C=C3)F 1 4.733 3 2 -6.57101598614539 1829480 C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)/C(=C\C4=CC=CS4)/S3 1 3.991 3 1 -3.74063686928811 1829464 COC1=CC=CC=C1/C=C/C=NN2C(=NNC2=S)C3=CC=C(C=C3)F 1 4.296 4 1 2.33728686643529 1829455 C1=CC(=CC=C1/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)Br 1 4.467 4 3 0 -11.3110722628353 1829424 COC1=CC=C(C=C1)OC2=CC=C(C=C2)N/C=C\3/CCCC3=O 1 3.654 1 3 -2.95550156176654 1829396 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)C4=CC=CS4)N3CCCOC)C#N 1 1.91 5 3 0 -22.4096756804936 1829290 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCCCN4CCCC4=O 1 1.754 6 1 0 -7.17716309667348 1829273 C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CC=CC(=C4)N=C(C5=CC=C(C=C5)Cl)[O-] 1 5.469 5 3 0 -4.28729783195133 1829266 CC1=CC=C(C=C1)NC(=O)C2=C(C3=C(C4=C(CCC4)N=C3S2)C5=CC=CO5)N 1 4.533 3 2 -4.35917436855592 1829192 C1=CSC(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.154 3 5 0 -12.2005549281904 1829187 C1CCN(CC1)C2(CCN(CC2)CC3=CC=C(C=C3)Br)C(=O)N 1 2.603 3 1 1.00481406494127 1829181 COC1=CC(=CC(=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CS2)OC 1 2.629 3 4 0 -15.0615780988207 1829152 CCOC1=CC=CC=C1OCCN2C(=O)C3=C(C=CC(=C3OC)OC)C=N2 1 2.991 2 5 0 -5.07622730218769 1829148 COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)CCCC(=O)NC3CCCC3 1 2.713 3 5 0 -12.4305051262271 1829135 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 3.251 4 3 0 -15.1490903521836 1829088 COCCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl 1 2.297 3 3 -14.8326886238701 1829082 C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=C(S5)Br 1 6.473 4 2 -5.09139582140212 1829063 CCOC1=CC2=C(C=C1)NC(=C2)C(=O)NN=CC3=CC=CC=C3OC 1 3.584 3 3 1.15762861575854 1829049 CC1=CC2=NC(=O)/C(=C/C3=COC4=CC=CC=C4C3=O)/C(=N)N2O1 1 1.102 3 4 0 -5.56066841572875 1828997 C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)NCCO)CC4=CC=CO4 1 2.882 3 3 -14.1604511764246 1828942 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)OC1=O 1 2.497 3 4 0 -9.63871780398956 1828888 CC(C)C1=CC=C(C=C1)NC(=S)NN2CCOCC2 1 3.036 3 1 -6.59986900046245 1828849 CC(C)(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)CCO 1 3.786 2 4 11.3149693846582 1828813 CCCCN1N=C(N=N1)N(C(=O)C2=CC=CS2)C(=O)C3=CC=CS3 1 4.08 5 2 0 -9.8500316990601 1828765 CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NNC(=O)C3=CC=CC=C3O 1 3.987 3 2 4.94304720858364 1828762 CC1=CC(=C(N1CC2=CC=CC=C2)C)/C=C/3\C(=N)N4C(=NC3=O)SC=N4 1 3.526 5 1 -14.5323935834685 1828692 CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-] 1 5.753 3 4 0 -2.73024930680791 1828691 C1=CSC(=C1)CC2=NNC(=S)N2C3=C(C=CC(=C3)C(F)(F)F)Cl 1 5.273 3 0 -0.567934671565197 1828677 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)C(=O)NNS(=O)(=O)C3=C(C=CC(=C3)C)C)C 1 3.092 4 5 0 -10.7313277985596 1828675 C1=CSC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.424 3 3 -14.4865669622914 1828599 CC(C)OC1=C(C=C(C=C1)CN2C3=C(C=C(C=C3)OC)C4=NC5=CC=CC=C5N=C42)OC 1 5.881 3 3 -7.57685873951679 1828537 C1C(=O)N(C(=NN=CC2=CC=CS2)S1)CC3=CC=C(C=C3)F 1 3.899 3 1 -8.91222667715362 1828480 CN(C1CCCCC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 2.315 2 4 -8.85216611442246 1828401 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CN=CC=C3 1 2.504 6 3 0 -21.1354844942527 1828313 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 1.133 2 6 0 -21.2969138623687 1828305 C1CN(CCN1CC2=CC=C(C=C2)Cl)N=CC3=CC=C(C=C3)C(=O)O 1 0.364 3 2 0 3.21097911748253 1828296 CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3=CC=CO3 1 3.07 3 3 -9.82593078987385 1828117 CC1=C(C=C(C=C1)NC(=O)C(=O)N2CCCC2)Cl 1 2.121 2 2 -7.77181109798382 1828093 CCCCCCC1=C(N=C(NC1=O)SCCN(C)C)O 1 3.759 3 2 -13.354796590314 1828022 CCCCCNC1=C2CN(CCC2=C(C(=N1)NCCCO)C#N)C 1 2.237 5 1 -3.6031039889843 1827977 CC(C)C1=C2COC(CC2=C(C(=O)N1)C#N)(C)C 1 1.253 2 2 0 -9.47749614967893 1827932 CCOC(=O)CN(C#N)C1=NC(=CC(=N1)C)C 1 0.667 4 2 0 -8.22745215489478 1827921 CC(=O)NCCOC(=O)NC1=CC=NC=C1 1 -0.365 3 3 0 -8.288941757626 1827882 COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C3=C(C=CC=C3F)F 1 3.449 2 4 -5.54254495631114 1827826 C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)NCCO 1 2.017 3 2 -5.38891899104498 1827789 C1=CC=C(C=C1)CC(=O)NNC(=O)CC(=O)NC2=CC=CC=C2C(=O)O 1 0.837 3 5 0 -10.4772145561195 1827782 CC1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)/NC2=O 1 3.847 2 5 0 -1.31242178511801 1827735 CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3 1 3.952 3 4 0 -17.4784998691246 1827716 CCCCN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCCN(CC)CC 1 2.593 4 2 -18.2299641009256 1827509 CCOC(=O)C(=CNC1=CC2=C(C=C1)N(N=N2)C3=CC=C(C=C3)Cl)C(=O)OCC 1 4.059 4 4 0 -0.388797052177253 1827385 CCCNC1=NC(=NC(=N1)N)C2=C(C=CC(=C2)Cl)OC 1 2.717 5 1 2.23666344500927 1827301 CC1=C(C=CC=C1[N+](=O)[O-])N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 3.469 3 6 0 1.57971746458205 1827300 CC1=C(C=C(C=C1)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)[N+](=O)[O-] 1 3.469 3 6 0 1.59146571133788 1827281 C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3[N+](=O)[O-])C#N)[N+](=O)[O-] 1 2.885 6 4 0 -3.22697640807711 1827239 CC1=CC=CC(=C1)C2=NC(C3=C(N2)N(C(=O)NC3=O)C4=CC=C(C=C4)F)(C(F)(F)F)C(F)(F)F 1 4.802 4 2 4.16781835631537 1826986 C1=CC(=CN=C1)C2=NN=C(N2N)SCC(=O)NC3=NC=CS3 1 0.193 7 1 0 -15.2970894506299 1826808 CCC1(CC2=CC=CC=C2C3=C(C(=O)C(=O)N31)C(=O)N4CCCCC4)CC 1 3.034 2 3 -8.22822776928983 1826779 CCCCNC1=NC(=S)N(C(=C1C(=O)C)C)C2=CC=CC=C2 1 4.083 3 1 -7.05571813681783 1826587 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)NC3=CC=C(C=C3)C(=O)O 1 2.61 2 5 0 -11.4735418605264 1826320 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)NCC3=CC=CC=N3 1 2.052 3 3 -17.0639570504967 1826015 C1CCC(C1)(C2=CC=CC=C2)C(=O)NCCCN3CCOCC3 1 2.381 2 2 -11.793401160578 1825987 C1=CC(=CC=C1C(=O)COC(=O)CSCC(=O)NC2=CC=C(C=C2)Br)Br 1 3.891 1 4 -15.5741427302814 1825978 C1=CC=C(C=C1)OCCNC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N 1 2.704 2 4 -9.2653488594736 1825884 CCCCC(=O)C1=C(C=C(C=C1)O)O 1 2.665 0 3 0.446892947018461 1825875 CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)N(C4=CC=CC=C4)NC(=S)C(=O)NC5=CC=CC=C5 1 6.17 6 1 0 -3.72818710678025 1825804 CCCNC(=O)NS(=O)(=O)C1=C(C=CN=C1)SC2=CC(=C(C=C2)Cl)Cl 1 3.69 3 3 -8.06986606810722 1825802 CCCNC(=O)NS(=O)(=O)C1=C(C=CN=C1)SC2=CC=C(C=C2)Cl 1 3.025 3 3 -6.62019225796061 1825798 CCCCNC(=O)NS(=O)(=O)C1=C(C=CN=C1)SC2=CC=C(C=C2)Cl 1 3.482 3 3 -7.32607355677219 1825784 C1=CC=C(C=C1)CSC2=C(C=CC=N2)S(=O)(=O)O 1 2.676 1 3 -13.4603879837938 1825764 CCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC=C 1 4.05 3 1 -1.16365342242184 1825763 CCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)COCC 1 1.678 4 3 0 -21.1847867587628 1825759 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3 1 2.15 2 5 0 -9.60474360677392 1825757 CCOCC1=NN=C(S1)NC(=O)CSC2=CC=C(C=C2)C 1 2.314 3 2 -13.1422450065341 1825756 CCOCC1=NN=C(S1)NC(=O)C2=C(C=CC=C2OC)OC 1 1.401 3 4 0 -14.7594809464576 1825745 CCOCC1=NN=C(S1)NC(=O)C2=CC=CS2 1 1.388 3 2 0 -13.2146401941033 1825742 CCOCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)NC(=O)C 1 0.555 4 3 0 -16.0471924710804 1825741 CCOCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)OC)OC 1 1.401 3 4 0 -15.3740419912568 1825735 CCOCC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 1.925 3 2 0 -15.6839951230145 1825732 CCOCC1=NN=C(S1)NC(=O)CSC2=CC=CC=C2 1 1.828 3 2 0 -14.0654102318502 1825727 CCOCC1=NN=C(S1)NC(=O)COCC 1 -0.145 3 3 0 -13.0235881860369 1825708 CC1=C(C=C(C=C1)OCCCSC2=NC=CC=N2)C 1 3.781 2 1 -1.81100609099799 1825705 CC1=CC=C(C=C1)OCCCNC2CCCC2 1 3.367 1 1 7.45629688087727e-002 1825700 COC1=C(C=CC(=C1)CC=C)OCCCNC2CCCC2 1 3.872 1 2 -7.03658631886755 1825694 CCOC1=CC=CC=C1OCCNC2CCCC2 1 3.15 1 2 -2.02103893930709 1825692 C1CCC(C1)NCCOCCOC2=CC=CC=C2C#N 1 2.566 2 2 -3.61486455190566 1825690 COC1=CC=CC=C1OCCNC2CCCC2 1 2.802 1 2 -2.3801981634838 1825688 CCOC1=CC=C(C=C1)OCCNC2CCCC2 1 3.15 1 2 6.08845784308178e-002 1825684 C1CCC(C1)NCCOCCOC2=CC=C(C=C2)C#N 1 2.566 2 2 -3.97824033723996 1825680 COC1=CC=C(C=C1)OCCOCCN2CCC3=CC=CC=C3C2 1 3.463 1 3 -3.54117976996981 1825678 COC1=CC=C(C=C1)OCCNC2CCCC2 1 2.802 1 2 0.6836033256074 1825676 CCOC1=CC=C(C=C1)OCCOCCN2CCC3=CC=CC=C3C2 1 3.812 1 3 -4.1638985171464 1825674 CCCOC1=CC=C(C=C1)OCCOCCN2CCC3=CC=CC=C3C2 1 4.335 1 3 -3.71926861690838 1825672 CCCOC1=CC=C(C=C1)OCCNC2CCCC2 1 3.674 1 2 0.505514478668838 1825666 C1CN(CC2=CC=CC=C21)CCOCCSC3=CC=CC=C3 1 4.037 1 1 -2.88407532300593 1825662 C1CCC(C1)NCCCCSC2=CC=CC=C2 1 4.019 1 0 -2.93772868837801 1825654 CC1=CC=C(C=C1)SCCOCCN2CCC3=CC=CC=C3C2 1 4.523 1 1 -1.79249710067741 1825652 CC(C)OC1=CC=C(C=C1)OCCNC2CCCC2 1 3.528 1 2 -0.517588754391258 1825650 CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(=O)C=C(N3)CSC4=NN=NN4C5=CC=CC=C5 1 2.954 9 2 0 -21.0146610084586 1825649 CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(=O)C=C(N3)CSC4=NN=C(S4)C 1 2.26 7 2 0 -16.3899967593145 1825648 CC1=NC(=NC2=C1C=CC=C2OC)NC3=NC(=O)C=C(N3)CSC4=NN=C(S4)C 1 2.26 7 2 0 -18.5468063960809 1825639 CC1=NN=C(S1)SCC2=CC(=O)NC(=S)N2 1 1.171 4 1 0 -17.1667323093952 1825631 CCOCC(=O)NC1=CC(=C(C=C1)Br)C 1 2.27 1 2 -6.47606038106252 1825630 CCOCC(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC 1 0.746 1 6 0 -11.8438587267123 1825629 CCOCC(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC 1 0.746 1 6 0 -14.9590240207686 1825628 CCOCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC 1 2.409 1 4 -18.076005004464 1825627 CCOCC(=O)NC1=NC(=CC(=N1)C)C 1 0.343 3 2 0 -9.60064337168333 1825585 C1=CC(=CC=C1C(=O)COC(=O)CCCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)F 1 4.545 1 4 -13.8661111792859 1825556 COC(=O)CC1=CC=C(C=C1)NC(=S)NCCO 1 1.863 2 3 0 -14.7278093248689 1825554 COC(=O)CC1=CC=C(C=C1)NC(=S)NCCCO 1 1.925 2 3 0 -13.7797176406183 1825553 CCOCCCNC1=NC2=C(N1)C(=O)N(C(=O)N2C)C 1 -0.148 5 3 0 -15.0299431008234 1825549 CCCCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)O 1 4.335 2 1 -10.557176513712 1825546 COC(=O)CC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N 1 2.691 3 4 0 -19.5079255209151 1825359 C1=CC(=CC=C1CCNCC2=CC=C(C=C2)Br)F 1 4.226 1 0 3.20399655864066 1825357 CC1=CC=CC=C1CCNCC2=CC=C(C=C2)Br 1 4.507 1 0 1.1520185737471 1825325 CCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC 1 2.872 2 4 -13.1541490635925 1825321 CCCCNC(=O)CC1=CC=C(C=C1)C 1 2.887 1 1 -11.1205730896873 1825305 CC1CCN(CC1)CCCCOC2=CC=CC=C2OC 1 3.747 1 2 -3.19645659673762 1825303 CC(C)C1=CC=CC=C1OCCCCCN2CCOCC2 1 3.932 1 2 -6.24935562947594e-002 1825301 CC(C)C1=CC=CC=C1OCCCCN2CCCCC2 1 4.706 1 1 2.39336277215369 1825295 C1CCN(C1)CCOCCOC2=CC=C(C=C2)F 1 2.487 1 2 1.20957191798197 1825289 COC1=CC=C(C=C1)OCCOCCN2CCOCC2 1 1.492 1 4 0 -2.81362261290715 1825246 CC1=CC=C(C=C1)OCCNS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.441 2 4 -14.6169107472689 1825239 C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CCCO 1 0.293 2 3 0 -4.95867372094013 1825238 CCNC(=S)NNC(=S)NCC1=CC=CC=C1 1 2.9 4 0 -8.29432356389146 1825106 CCC(=O)NC1=NON=C1C(=NC(=O)CC)NOCC2=CC=C(C=C2)F 1 1.943 5 4 0 -3.92438541666616 1825101 CC1=CC(=CC=C1)OCCNC(=O)C2=CC(=CN=C2)Br 1 2.754 2 2 -5.18819245000281 1824920 CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(=NS2)SCC(=O)NC3=C(C=C(C=C3)C)C)C#N)C 1 5.686 4 2 -16.797868238628 1824907 CCOC(=O)CSC1=C(C(=NS1)SCC(=O)OCC)C#N 1 2.58 2 4 -15.7307602524001 1824906 COC(=O)CSC1=C(C(=NS1)SCC(=O)OC)C#N 1 1.882 2 4 0 -14.9078261143329 1824890 CC1(CC(=O)C(=CNCCCN2CCOCC2)C(=O)C1)C 1 5.8e-002 2 3 0 -14.1920311933281 1824854 C/C(=C\C1=CC=CO1)/C=NNC(=O)COC2=C(C=C(C=C2)OC)Br 1 3.452 2 4 -6.10690774596857 1824838 COC1=CC=C(C=C1)OCCNC(=S)NC2=CC=CC3=CC=CC=C32 1 5.036 2 2 -8.23908352457554 1824787 CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1NCCO 1 2.679 3 2 -4.30463616011223 1824780 C1CCC2(C1)CC3=CC=CC=C3C(=N2)NCCCC(=O)O 1 2.682 2 2 -8.12782155068338 1824698 CCCCONC1=NC=NC2=NON=C21 1 0.866 5 2 0 -5.24749749721455 1824694 C=CCSC(=NN1C=NC2=CC=CC=C2C1=O)N3CCCCC3 1 3.327 4 1 -8.08495107814031 1824663 C1=CC(=CC(=C1)N2C=NN=N2)/C=C\C(=O)O 1 0.814 4 2 0 -10.4690163249146 1824509 C1=CC=C(C=C1)N2C(=NNC2=S)CCCO 1 1.911 3 1 0 -4.17173915229858 1824337 CC1=CC=C(C=C1)NC2=NC(=O)/C(=C\C3=CC=C(S3)C)/S2 1 4.364 2 1 -3.0958988650909 1824334 CC1=CC=C(S1)/C=C/2\C(=O)N=C(S2)NC3=CC=C(C=C3)F 1 4.083 2 1 -2.19572524529185 1824319 CN(C)C1=CC=C(C=C1)N2C=CC=C2/C=C/3\C(=O)N=C(S3)NC4=CC=C(C=C4)F 1 5.314 4 1 -3.7908143471283 1824291 CCC1=CC=C(C=C1)N2C(=O)/C(=C\C=C\C3=CC=CO3)/C(=O)N2 1 3.057 2 3 2.83825782682876 1824219 CCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=NN=NN3CC4=CC=CC=C4 1 3.666 6 3 0 -31.8434254894119 1824206 CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=NN=C(S3)N 1 2.444 5 1 -12.9560572922734 1824065 C1=CC(=CC=C1C2=C(N=NN2C3=NON=C3N)C(=O)N)[N+](=O)[O-] 1 0.86 8 4 0 -20.6029270520103 1823561 C#CCSC1=C(C=CC(=N1)C2=CC=CS2)C#N 1 4.731 2 0 -8.64691702303802 1823388 C1CCN(CC1)C(=S)C2=CC=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.805 3 6 0 -10.3021644378943 1823304 C1=CC(=CC(=C1)[N+](=O)[O-])CON=C(C2=NON=C2N)N 1 0.441 6 4 0 -8.96236412372619 1823299 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NN=C(O3)C4=CC=C(C=C4)Br)Br 1 5.041 3 3 -7.94408760367571 1823290 CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=NC=C3 1 0.705 10 2 0 -26.5954928015343 1823283 C1=CC=C2C(=C1)C(=O)/C(=C/C3=CC=CS3)/S2 1 3.648 0 1 -0.864127194145252 1823277 CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CO3 1 1.251 9 3 0 -26.7540773947626 1823273 CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CC=N3 1 1.134 10 2 0 -24.970604280196 1823114 COC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC(=C2)C=NNC(=O)C3=CC(=CC=C3)F 1 4.772 2 4 -8.57539115894698 1823041 CC(C)(C)C(=O)NC1=CC(=CC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)NC(=O)C(C)(C)C 1 3.207 3 7 0 -17.5769254928435 1823022 C1=CC=C(C=C1)N=C2N(C(=O)/C(=C\C3=CC=C(O3)Br)/S2)C4=CC=CC=C4 1 5.525 2 2 -4.63436438459223 1822894 CC1=CC=C(C=C1)C\2=NOC(=O)/C2=C\C3=CC=CC=C3 1 3.873 1 2 2.12763799975717 1822868 CC1=NNC(=NC1=O)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N 1 2.236 5 2 0 -30.0379867259969 1822627 CCCCNC(=S)NC1=CC=C(C=C1)Cl 1 4.505 2 0 -8.71436101840042 1822567 CC1=CC=CC2=C1SC3=CC=CC=C3CC2=O 1 4.043 0 1 -0.162054033184265 1822502 COC1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=C(C=C2)OC)O 1 2.645 0 7 0 -5.46200989661812 1822478 CC1(CCC(=O)N(C1=O)C2=CC=CC=C2)C 1 2.325 1 2 -2.05907811762135 1822346 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)C(=S)N3CCOCC3)OC 1 3.721 1 7 0 -16.5897184100696 1822256 CN(C)C1=CC=C(C=C1)C=NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4 1 5.886 4 0 5.35903480564611 1822243 CC1=CC(=C(C=C1)C(C)C)OCCNC(=O)C2=C(C=CC(=C2)SC)Cl 1 5.556 1 2 -2.96780912132704 1822180 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CN=C3OC 1 3.465 5 5 0 -14.5330067466579 1822115 CC1=C(C(=NC(=N1)NN=CC2=CC=C(C=C2)N(C)C)NC3=CC=C(C=C3)OC)[N+](=O)[O-] 1 3.328 7 3 0 -3.16913648541194 1822098 C1=CC=C2C(=C1)C=CC=C2CC(=O)NN=CC3=CC=C(O3)SC4=NC5=CC=CC=C5S4 1 5.89 3 2 -4.80592420549396 1822015 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3 1 4.123 5 3 0 -16.6472359247885 1822005 CCCOC1=CC=C(C=C1)CNC(=S)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 4.565 4 3 0 -9.63077472273143 1821977 CC(C)CNC(=O)CC(=O)NN=CC1=CC=CS1 1 1.553 3 2 0 -12.2218435564773 1821960 C1CCN(CC1)C2=NC(=NC(=N2)NN=C/C=C/C3=CC=CC=C3)N4CCCCC4 1 3.769 7 0 0 3.04249164628372 1821766 COC1=CC(=CC(=C1OC)OC)C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.137 2 7 0 -12.5250966821726 1821710 C1=CC=C(C=C1)CN2C(=NN=N2)SCC(=O)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NC5=CC=CC=C5 1 4.247 7 2 0 -25.9000917355306 1821543 C1=CC=C(C(=C1)CSC2=C(C(=NS2)SCC(=O)N)C#N)Cl 1 3.57 3 1 -15.6015630896745 1821497 CCCN1C(=O)/C(=C\C=C/2\N(C3=CC=CC=C3S2)CCO)/SC1=S 1 4.512 2 2 -1.01045740506769e-002 1821182 CCN=C1N(C(=O)/C(=C/C2=CC(=C(C(=C2)Br)O)OC)/S1)CC 1 3.596 2 3 -2.62641326353926 1821150 CCCCSC1=NN=C(N1C)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3 1 5.012 4 1 -12.9752483701144 1820690 CC1=CC(=C(C=C1)C(C)C)OCCNC(=S)NC2=CC=CC3=CC=CC=C32 1 6.733 2 1 -6.60418933699797 1820554 CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)C(=O)OCCOC 1 2.277 1 6 0 -12.8535789819675 1820552 CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CS4)C(=O)OC(C)C 1 4.043 1 5 -14.5877078726632 1820529 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC4=CC=CC=C4S3 1 4.803 2 4 1.20303525588847 1820482 CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)O 1 3.969 1 5 -6.43827552552287 1820382 CCCNS(=O)(=O)C1=C2C=CC=C3C2=C(C=C1)NC3=O 1 1.476 2 3 0 -17.5168763272321 1820373 CCN(CC)C(=O)CN(C1=C(C=C2C(=C1)C3=CC=CC=C3O2)OC)S(=O)(=O)C4=CC=CC=C4 1 3.973 2 5 0 -17.8697864110694 1820371 C1CN(CCN1C2=CC=C(C=C2)N)C3=CC(=C(C=C3)Cl)Cl 1 4.203 3 0 7.25840619431323 1820369 C1CN(CCN1C2=CC=C(C=C2)N)C3=CC(=CC=C3)Cl 1 3.539 3 0 9.83655656357942 1820358 COC1=C(C(=C(C=C1)CNC2=CC=NC=C2)OC)OC 1 2.022 2 3 -2.51942868521186 1820356 COC1=C(C(=C(C=C1)CNC2=CN=CC=C2)OC)OC 1 2.022 2 3 -2.113076068282 1820354 CN(CC1=CC=CC=C1)CC2=C(C(=C(C=C2)OC)OC)OC 1 3.437 1 3 3.92998810335245 1820336 CC1=CC=CC=C1N2CCN(CC2)C3=CC=CC=C3NC(=O)/C=C\C(=O)O 1 3.471 3 3 -1.22656487396365 1820334 C1CN(CCN1C2=CC=CC=C2)C3=CC=CC=C3NC(=O)/C=C\C(=O)O 1 2.985 3 3 -1.57660832050259 1820330 CC(C)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)/C=C\C(=O)O 1 3.431 3 4 0 -6.53012102695516 1820322 CC1=CC=CC=C1CNC(=O)/C=C\C(=O)O 1 1.687 1 3 0 -7.00813773534641 1820316 CC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 4.646 2 3 2.73838434610082 1820304 COC(=O)/C=C/C(=O)NCC1=CC=CO1 1 0.608 1 4 0 -9.1804796404466 1820285 CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)/C=C\C(=O)O 1 2.723 3 4 0 -5.98198740418502 1820283 CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)/C=C\C(=O)O 1 2.723 3 4 0 -6.8135807236068 1820281 C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)/C=C\C(=O)O 1 2.26 2 4 -11.5417407538492 1820279 C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)/C=C\C(=O)O 1 1.985 2 4 0 -13.4396853010076 1820273 C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=CC=C3NC(=O)/C=C\C(=O)O 1 2.144 2 5 0 -4.96039055246654 1820271 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3NC(=O)/C=C\C(=O)O 1 2.901 3 4 0 -4.99158203301998 1820259 C1CN(CCN1C2=CC=C(C=C2)NC(=O)/C=C\C(=O)O)C3=CC=C(C=C3)F 1 3.191 3 3 -0.912532052745469 1820257 COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)/C=C\C(=O)O 1 2.969 3 4 0 -2.03737528735486 1820255 C1CN(CCN1C2=CC=C(C=C2)NC(=O)/C=C\C(=O)O)C3=CC(=C(C=C3)Cl)Cl 1 4.314 3 3 0.667841003348889 1820251 C1CN(CCN1C2=CC=C(C=C2)NC(=O)/C=C\C(=O)O)C3=CC=C(C=C3)Cl 1 3.649 3 3 0.197589612376099 1820249 C1CN(CCN1C2=CC=C(C=C2)NC(=O)/C=C\C(=O)O)C3=CC(=CC=C3)Cl 1 3.649 3 3 3.24599137261508 1820247 CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)/C=C\C(=O)O 1 3.471 3 3 1.18345363369154 1820245 CC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)NC(=O)/C=C\C(=O)O 1 3.471 3 3 0.74717084768939 1820162 C[C@@H](C1=CC=CC=C1)N[C@H](C2=C(C=CC3=CC=CC=C32)O)C(C)C 1 5.215 1 1 1.83015604677235 1820080 C=CCN1C(=O)/C(=C\C2=CC=C(C=C2)Cl)/N=C1SCC(=O)NC3CCCCC3 1 4.608 3 2 -23.9263609262943 1820077 CCCNC(=O)CSC1=N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)N1CC=C 1 3.622 3 2 -26.0876993721896 1820073 CCCNC(=O)CSC1=N/C(=C/C2=CC=C(C=C2)C)/C(=O)N1CC=C 1 3.444 3 2 -27.9096980627765 1820066 CCCCCNC(=O)CSC1=N/C(=C\C2=CC(=C(C=C2)Cl)Cl)/C(=O)N1CC 1 4.931 3 2 -22.1003496693581 1820046 CCN1C(=O)/C(=C/C2=CC(=C(C=C2)OC)OC)/N=C1SCC(=O)NCC3=CC=CO3 1 2.549 3 5 0 -27.0222057589686 1820042 CCCNC(=O)CSC1=N/C(=C/C2=CC=C(C=C2)F)/C(=O)N1CC 1 2.895 3 2 -21.1015953403585 1820041 CCN1C(=O)/C(=C\C2=CC=C(C=C2)F)/N=C1SCC(=O)NCC3=CC=CO3 1 2.788 3 3 -21.678577428092 1820000 CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N 1 3.4 2 3 -22.2818797920906 1819998 COC1=CC=C(C=C1)CSC2=NNC3=NC(=O)C=C(N32)N 1 1.843 5 2 0 -15.6881594298385 1819958 CN(C1=CC=CC=C1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC 1 2.858 2 7 0 -15.806756788817 1819946 C1=CN=CC=C1C2=NN=C(O2)SCC(=O)NC3=NN=CS3 1 0.172 6 2 0 -14.3691375691801 1819944 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NN=C(O3)C4=CC=CO4 1 1.414 5 5 0 -24.0930198806614 1819943 CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(O3)C4=CC=CC=C4)C5=CC=CC=C51 1 4.897 4 2 -8.32806637911987 1819942 CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(O3)C4=CC(=CC=C4)C)C5=CC=CC=C51 1 5.383 4 2 -5.01627276620846 1819941 CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(O3)C4=CC(=CC=C4)Cl)C5=CC=CC=C51 1 5.561 4 2 -4.63752751925495 1819939 CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(O3)C4=CC(=CC=C4)F)C5=CC=CC=C51 1 5.102 4 2 -4.92407505260146 1819938 CC1=CC(=O)OC2=C1C=CC(=C2)OCCSC3=NN=C(O3)C4=CC(=CC=C4)OC 1 4.344 2 5 0 -7.15872281310407 1819936 CC1=CC=CC(=C1)C2=NN=C(O2)SCCOC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 4.847 2 4 -5.7499132935703 1819935 CC1=CC=CC=C1C2=NN=C(O2)SCCOC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 4.847 2 4 -10.4221936339933 1819930 CCNC(=O)CCS(=O)(=O)C1=CC2=CC=CC=C2C=C1 1 1.921 1 3 0 -15.0391221305099 1819919 C1=CC2=C(C=C1S(=O)(=O)N)C(=O)OC3=C2C=CC(=C3)S(=O)(=O)N 1 0.36 2 6 0 -11.4290716238556 1819918 CCCCCOC(=O)CN1C2=C(C=CC(=C2)C)OC1=O 1 3.524 1 4 -4.03738360508405 1819917 CCCCOC(=O)CN1C2=C(C=CC(=C2)C)OC1=O 1 3.068 1 4 -4.73145301895084 1819916 CCCCCOC(=O)CN1C2=CC=CC=C2OC1=O 1 3.038 1 4 -4.28525278537264 1819912 CC1=CC=C(C=C1)NC(=O)CCCCCNS(=O)(=O)C2=CC=C(C=C2)C 1 3.831 2 3 -14.3764568150209 1819911 CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)NC2=CC=CC(=C2)C 1 3.831 2 3 -12.1271109231453 1819910 CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)NC2=CC=CC=C2C 1 3.831 2 3 -16.3031272431294 1819909 CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)NC2=CC=CC=C2 1 3.345 2 3 -13.7067920111767 1819908 CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)NC 1 1.768 2 3 0 -14.9870912013425 1819893 COCCNC(=O)C1=CC2=CC(=CC(=C2OC1=O)OC)Br 1 1.669 1 5 0 -15.9686669005316 1819793 CCCCN1C(=O)NC2=CC=CC=C2S1(=O)=O 1 1.802 2 3 0 -4.56458606985778 1819776 CCCCN1C(=O)NC2=CC=CC=C2S1=O 1 2.204 2 2 -4.7542186800713 1819772 C#CCOC(=O)C1=CSC2=C1SN=N2 1 2.774 2 2 -9.03269844952969 1819698 CC\1=C(C2=C(/C1=C\C3=CC(=C(C=C3)OCC(=O)O)OC)C(=C(C(=N2)N)C#N)C)C#N 1 3.102 4 4 0 -12.3773913526225 1819696 CC\1=C(C2=C(/C1=C/C3=CC(=C(C=C3)OCC(=O)O)OC)C(=C(C(=N2)N)C#N)C)C#N 1 3.102 4 4 0 -12.3773913526225 1819632 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=C(O3)C)/NC2=O 1 1.605 3 4 0 -8.38296561404306 1819618 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=CO3)/NC2=O 1 1.46 3 4 0 -7.95904163708919 1819576 C1=CC=C(C=C1)NC2=NC(=O)/C(=C/C3=CC=CN3C4=CC=CC=C4)/S2 1 4.946 3 1 -3.0549773315149 1819468 CCCCSC1=C(C(=O)N(N=C1)C2=CC=CC=C2)SCCCC 1 4.627 2 1 -4.4888797816208 1819461 COC1=CC=CC\2=C1C(=O)O/C2=C\C3=CC(=C(C=C3)O)OC 1 2.847 0 5 1.37295194161744 1819458 COC1=CC=CC\2=C1C(=O)O/C2=C/C3=CC4=C(C=C3)OCO4 1 2.874 0 5 -2.46388181563621 1819450 COC1=C(C=C(C=C1)/C=C\2/C3=C(C(=CC=C3)OC)C(=O)O2)OC 1 3.073 0 5 -4.54315814167404 1819367 CCCCON1C(=C(C2=C1C=CC3=[N+](ON=C32)[O-])C(=O)C)C 1 -2.006 3 4 0 -0.977500334145226 1819366 CC1=C(C2=C(N1OCC=C)C=CC3=[N+](ON=C32)[O-])C(=O)C 1 -2.718 3 4 0 -3.45088735588374 1819362 CCC(=O)N=C(NC1=CC=CC=C1)NC2=NC(=CC(=N2)C)C 1 2.541 5 1 -6.13054078614224 1819338 C1CCN(C1)CCCCCOC2=C(C=C(C=C2)Cl)Br 1 4.924 1 1 6.91746774475691 1819330 CC(C)(C)C1=CC=CC=C1OCCCCN2CCCC2 1 4.456 1 1 4.26373110652062 1819328 CC1=C(C=C(C=C1)C(C)C)OCCCCN2CCCC2 1 4.736 1 1 4.61076159619922 1819326 CC1=C(C(=CC=C1)C)OCCCN2CCCC2 1 3.448 1 1 2.84688330688261 1819304 CC1=CC(=CC=C1)OCCCCN2CCNCC2 1 2.502 2 1 -0.575462010177586 1819220 CC1=CC(=C(C=C1)C)S(=O)(=O)NCCOC2=NC(=NC(=N2)NC(C)C)NC(C)C 1 3.149 6 3 0 -12.0536492435669 1819219 CCNC1=NC(=NC(=N1)OCCNS(=O)(=O)C2=C(C=CC(=C2)C)C)NCC 1 2.394 6 3 0 -9.04010875060628 1819216 CC1=CC=C(C=C1)OCCSC2=NC(=NC(=N2)NC(C)C)NC(C)C 1 4.294 5 1 -8.01707407867283 1819215 CCNC1=NC(=NC(=N1)SCCOC2=CC=C(C=C2)C)NC(C)C 1 3.916 5 1 -9.38656917127431 1819214 CCNC1=NC(=NC(=N1)SCCOC2=CC=C(C=C2)C)NCC 1 3.539 5 1 -5.00353358571224 1819192 CC(C)CNC1=NC(=NC(=N1)OCC#N)N(C)OC 1 1.139 6 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1 5.256 6 1 0 -19.6369199982221 1818165 CC1=CC(=NC2=NC(=NN12)SCC3=NN=C(O3)SCCCCl)C 1 2.83 6 1 0 -18.450356829417 1818164 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCON3C(=O)C4=CC=CC=C4C3=O 1 1.451 2 5 0 -2.19485662839515 1818161 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCON3C(=O)C4=CC=CC=C4C3=O 1 2.031 2 5 0 -2.75913379271856 1818158 CC1=C(C(=O)NC(=S)N1)CCCO 1 0.728 2 2 0 -10.0756703287167 1818146 C1CN(CCN1C2=CC=C(C=C2)F)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4 1 4.754 2 3 3.62798555186877 1818144 COC1=C(C=C2C(=C1)C=NC(=N2)Cl)OC 1 2.21 2 2 1.58353733083208 1818132 C1CN(CCN1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CC=C3 1 0.555 3 2 0 -15.8709048026938 1818119 C1CCC2(CC1)C(=NC3=CC=C(C=C3)Cl)N=C(N2C4=CC=CC(=C4)C(=O)O)SCC(=O)O 1 4.982 3 4 0 -10.950882677663 1818115 C1CCC2(CC1)C(=NC3=CC(=CC=C3)Cl)N=C(N2C4=CC=CC=C4)SCC(=O)O 1 5.353 3 2 -7.92032065695562 1818084 CC(C)NC1=NC(=NC(=N1)OCCOC(=O)C2=CC=CC=C2)NC(C)C 1 3.121 5 3 0 -13.1458055071566 1818022 CCOC1=C(C(=CC(=C1)CNCCC2=CNC3=CC=CC=C32)Cl)OCC 1 4.895 2 2 -6.36915518490788 1818019 CCN(CC)CCNCC1=CC(=C(C=C1)OCC2=CN=C(C=C2)Cl)OC 1 3.477 3 2 -4.54346554344456 1817985 CCCCN1C(=NN=N1)NCC2=CC=C(C=C2)N3CCCC3 1 2.553 6 0 -18.5710878099745 1817984 CCCCN1C(=NN=N1)NCC2=CC=C(C=C2)N(CC)CC 1 2.79 6 0 -24.1626382322045 1817983 CCCCN1C(=NN=N1)NCC2=CC(=C(C=C2)OC)OC 1 1.897 5 2 0 -24.1411459354571 1817980 CCCCN1C(=NN=N1)NCC2=CC(=C(C(=C2)Cl)OC)OC 1 2.562 5 2 0 -21.0177567968036 1817967 CCCOC1=CC=CC(=C1)C(=O)NC2=CC=CC3=C2C=CC=N3 1 3.657 2 2 -7.83657305618574 1817944 CCOC1=C(C=C(C=C1)Br)CNCCN2CCOCC2 1 2.274 2 2 -1.28441231274528 1817942 CCCCNCC1=CC(=C(C=C1Br)OCC(=O)N)OC 1 2.265 2 3 -8.25019578837251 1817894 CCCCN1C(=NN=N1)NCC2=CN=CC=C2 1 0.779 6 0 0 -21.9491546959497 1817890 CCCCN1C(=NN=N1)NCC2=CC=CS2 1 1.67 5 0 0 -22.2308812055382 1817889 CCCCN1C(=NN=N1)NCC2=CC=C(C=C2)C 1 2.416 5 0 -19.4262652955404 1817884 CCCCN1C(=NN=N1)NCC2=CC=C(S2)C 1 1.815 5 0 0 -17.1810437329926 1817855 CCCCCNCC1=CC(=C(C=C1)OCC2=CN=C(C=C2)Cl)OC 1 4.426 2 2 -5.964342989695 1817848 COC1=C(C=C(C=C1)CCNCC2=CC=C(C=C2)C3=CC=CC=C3)OC 1 4.758 1 2 0.878596052174548 1817846 CC1=C(C=C(C=C1)OCCNC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl)C 1 3.453 4 2 -4.50523770844444 1817843 CC1=CC(=CC=C1)OCCNC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 2.967 4 2 -3.22748293413994 1817842 CCSCCNC(=O)C1=C(C=CC(=C1)N2C=NN=C2)Cl 1 1.811 4 1 0 -7.56468583714414 1817841 COC1=CC=CC(=C1OCC=C)CNC2=CC=C(C=C2)S(=O)(=O)N 1 2.511 2 4 -13.2833437963979 1817840 CN1C(=NN=N1)SCCNCC2=CC=CC=C2OCC3=CC=CC=C3 1 2.977 5 1 -12.342875111323 1817797 C1=CC=C(C=C1)CNCCC2=CC=CC=C2F 1 3.477 1 0 -0.286331420188595 1817795 CC1=C(SC=C1)CNCCC2=CC=C(C=C2)F 1 3.704 1 0 2.5053844874331 1817793 CC1=C(SC=C1)CNCCC2=CC=CC=C2F 1 3.704 1 0 -5.30766222256012e-002 1817787 CC1=CC=C(S1)CNCCC2=CC=C(C=C2)F 1 3.363 1 0 6.44149551974145 1817785 CC1=CC=C(S1)CNCCC2=CC=CC=C2F 1 3.363 1 0 3.88303441008274 1817779 CN1C(=NN=N1)SCCNC/C=C/C2=CC=CC=C2 1 1.877 5 0 0 -9.6056465221413 1817775 C1=CC=C2C(=C1)C=CC=C2CNCCC3=CC=CC=C3F 1 4.386 1 0 3.89154010921425 1817772 C1=CC=C(C(=C1)CCNCC2=CC=C(C=C2)F)F 1 3.683 1 0 0.885295450680677 1817719 C1=CC=C(C=C1)C#CC2=CC=CC=C2NC(=O)/C=C\C(=O)O 1 3.302 1 3 0.758120277643877 1817641 CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=CC=C4 1 3.146 3 3 0.193519958834868 1817559 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.025 4 5 0 -12.1120178363283 1817440 CNC(=O)NC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=CS2)C#N 1 0.835 5 3 0 -17.6310313429339 1817439 C1=CSC(=C1)C2=C(C(=O)N=C(N2)SCC(=O)C3=CC=CS3)C#N 1 3.204 3 2 -14.3596484826342 1817302 CC1=C(SC2=C1C(=O)N(C(=N2)SCC=C)N)C 1 2.573 3 1 -16.8266048820441 1817280 C=CCSC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1N 1 3.751 3 1 -13.1709963359703 1817278 C1=CC=C(C=C1)C2=CC3=C(S2)N=C(N(C3=O)N)SCC(=O)N 1 1.988 4 2 0 -15.5066741804778 1817064 CCNC(=S)NNC(=O)C1=CC=CS1 1 1.722 3 1 0 -11.136213276094 1817063 CCNC(=S)NNC(=O)CC1=CC=CC=C1 1 1.803 3 1 0 -11.2051285615239 1817062 C=CCNC(=S)NNC(=O)CSC1=NC2=CC=CC=C2S1 1 3.055 4 1 -17.0022124810707 1816925 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br 1 3.744 5 3 0 -14.9169797598524 1816923 C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 3.744 5 3 0 -14.9378426173398 1816829 CN(CCOC(=O)/C=C/C1=CC=CO1)CC2=CC=CC=C2 1 3.27 1 3 0.226315635167168 1816759 CCOP(=S)(NN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2)OCC 1 3.407 2 3 -4.80521170449675 1816042 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=NC=C3 1 3.154 3 4 0 -14.1766091943723 1816029 CCCCOC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3 1 4.583 2 2 -7.19681291454912 1816010 CCCCNC1=N/C(=C\C2=CC=CO2)/C(=O)N1C3=CC=CC=C3 1 3.503 3 2 -7.08812838085094 1816008 CCCNC1=N/C(=C\C2=CC=CO2)/C(=O)N1C3=CC=CC=C3 1 3.047 3 2 -5.65290133057659 1816006 CC(C)N(C1=N/C(=C\C2=CC=CO2)/C(=O)N1C3=CC=CC=C3)C(C)C 1 3.833 3 2 -4.8796961431286 1816004 CC(C)CN(CC(C)C)C1=N/C(=C\C2=CC=CO2)/C(=O)N1C3=CC=CC=C3 1 4.764 3 2 -6.09021230871296 1816002 CCCN(CCC)C1=N/C(=C\C2=CC=CO2)/C(=O)N1C3=CC=CC=C3 1 4.125 3 2 -6.13307499634077 1815999 C1CCN(CC1)C2=N/C(=C\C3=CC=CO3)/C(=O)N2C4=CC=CC=C4 1 3.298 3 2 -5.49538233360614 1815998 CCN(CC)C1=N/C(=C\C2=CC=CO2)/C(=O)N1C3=CC=CC=C3 1 3.078 3 2 -5.5592580748181 1815880 CCO/C=C/1\C2=CC=CC=C2N(C1=O)C(=O)C 1 1.009 1 3 0 -3.96123243644532 1815834 CN1C=NN=C1SCCOC2=CC=C(C=C2)Cl 1 2.779 3 1 -8.42058292971559 1815827 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCCCC2=CC=CC=C2 1 2.853 2 3 -14.5735640181152 1815825 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)NC3=CC=CC=C3C(=O)NCCOC 1 2.871 3 5 0 -21.1661580680117 1815824 CC1=NN=C(N1C2=CC=CC=C2)SCCOC3=CC=CC=C3OC 1 3.936 3 2 -9.46028241578245 1815821 CS(=O)(=O)N(CC(=O)NCCC1=CC=CC=C1)C2CCCCC2 1 2.193 2 3 -14.6240429119804 1815815 CC(C)CNC(=O)CN(C1CCCCC1)S(=O)(=O)C 1 1.48 2 3 0 -15.2144678223101 1815814 CCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)C 1 1.617 2 3 0 -16.9769006249124 1815812 CCCNC(=O)CN(C1CCCCC1)S(=O)(=O)C 1 1.161 2 3 0 -16.2710193261008 1815811 CCNC(=O)CN(C1CCCCC1)S(=O)(=O)C 1 0.637 2 3 0 -13.0770774860546 1815806 C1=CC=C(C=C1)OCCCC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 4.214 2 2 6.02908128074321 1815798 C1=COC(=C1)C(=O)NCCSC2=CC=C(C=C2)Cl 1 3.288 1 2 -3.58672815275167 1815793 CCCNC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.423 2 5 0 -25.5999227920286 1815792 CCCCNC(=O)CN(C1=CC(=CC=C1)F)S(=O)(=O)C 1 1.541 2 3 0 -17.1552098909717 1815786 CCOCCCNC(=O)CCSC1=CC=C(C=C1)C 1 2.446 1 2 -15.0490849059047 1815783 CCCCNC(=O)CCSC1=CC=C(C=C1)C 1 3.494 1 1 -12.1921344879516 1815779 CC(C)(C)SCCNC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O 1 1.17 2 4 0 -10.7170198532775 1815777 COC1=CC=CC=C1C(=O)NCCSCC2=CC=CC=C2Cl 1 3.883 1 2 -11.594993880817 1815776 CCOC1=CC=C(C=C1)S(=O)(=O)NCCSCC2=CC=CO2 1 2.452 1 4 -5.34559180220617 1815775 CC(C)(C)SCCNS(=O)(=O)C1=C(C(=C(C=C1)OC)Cl)Cl 1 3.598 1 3 -7.51986749350921 1815770 CC(C)C(C(C)C)NC(=O)CN(C1=CC(=CC=C1)F)S(=O)(=O)C 1 2.624 2 3 -12.5540012577098 1815765 CCCNS(=O)(=O)C1=C(C(=C(C=C1)OC)Cl)Cl 1 2.925 1 3 -7.14051828868597 1815744 COC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=CN3C4=CC=C(C=C4)C(=O)O)/SC2=O 1 3.565 3 6 0 -6.6262078536256 1815730 CC1=CC(=CC=C1)CN2C(=O)/C(=C\C3=CC=C(S3)C)/NC2=O 1 3.111 2 2 1.29966484899712e-002 1815725 CC1=CC(=CC=C1)CN2C(=O)/C(=C\C3=C(N(C(=C3)C)C4=CC=CC=N4)C)/NC2=O 1 3.568 4 2 -4.4075532470508 1815721 CC1=CC(=CC=C1)CN2C(=O)/C(=C\C3=C(N(C(=C3)C)C4=NC=CC(=C4)C)C)/NC2=O 1 4.054 4 2 -4.91688432884743 1815686 CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=NC=CS3 1 1.83 6 1 0 -13.2965913944957 1815678 CCC1=CC(=C(C=C1)OCC(=O)NCCN(C)C)Br 1 2.702 2 2 -5.68988719213599 1815636 CCCCNC(=O)CN(C1=C(C=CC(=C1)C(F)(F)F)Cl)S(=O)(=O)C 1 2.942 2 3 -14.5589215009075 1815604 CCCCNC(=O)CN(C1=CC(=C(C=C1)Cl)Cl)S(=O)(=O)C 1 2.664 2 3 -18.026681525082 1815577 CC1=CC=C(C=C1)SCCC(=O)NCCCOC 1 2.097 1 2 -13.5411729671749 1815557 CN(CC(=O)NCCC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.878 2 5 0 -13.7820537232625 1815555 CN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)C2=CC=C(C=C2)OC 1 2.317 2 4 -16.4431870847787 1815549 CCCCC1=CC=C(C=C1)NC(=O)CC(C)(C)C 1 4.386 1 1 -7.09122783797041 1815495 C=CCSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3 1 4.436 2 1 -14.2543599707148 1815493 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC#N 1 3.543 3 1 -19.2020149278428 1815492 C1CCC(C1)CN2C(=O)C3=CC=CC=C3N=C2SCC#N 1 3.699 3 1 -15.6701584786914 1815491 CN1C(=O)C2=CC=CC=C2N=C1SCC#N 1 1.967 3 1 0 -14.8787099449388 1815481 C=CCSC1=NN=C2N1C3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C(=O)N2CC6=CC=CC=C6 1 5.558 5 1 -19.2084537009126 1815411 C1=CC(=C(C(=C1)Cl)CP(=O)(O)O)Cl 1 2.329 0 3 -2.27983559773574 1815373 CC(=O)C1=CN(C(=O)NC1=O)CCCCCCCN2C=C(C(=O)NC2=O)C(=O)C 1 -0.401 4 6 0 -7.80312852670823 1815371 CCCCN1C(=O)C=C(N(C1=O)C2=CC=CC=C2)C 1 2.819 2 2 -5.0127400038127 1815367 CCCCN1C(=O)/C(=C\C2=CC=CO2)/C(=O)N(C1=O)CCC3=CC=CC=C3 1 3.904 2 4 -3.42445479967563 1815359 CCOC(=O)NC(=O)C(=CNC1=CC=C(C=C1)C)C(=O)NC(=O)OCC 1 2.053 3 6 0 -5.06530017002856 1815357 CCCCCCCCCCN1C=C(C(=O)NC1=O)C(=O)C 1 2.95 2 3 -8.49060705577266 1815338 C1CN(CCN1/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)C(=O)C4=CC=CO4 1 2.593 4 4 0 -4.9260037022487 1815334 CC1=CC(=CC=C1)N2C(=O)/C(=C/N3CCN(CC3)C(=O)C4=CC=CO4)/C(=O)NC2=S 1 2.331 4 4 0 -3.50497408966647 1815308 CCOC(=O)NC(=O)/C(=C/NC1=C(C(=C(C=C1)Cl)Cl)Cl)/C(=O)C 1 3.306 2 4 -2.57991206041557 1815226 CCCCN1C(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/C(=O)N(C1=O)CC3=CC=CO3 1 3.532 3 4 0 -9.76612407175349 1815222 CCOC(=O)NC(=O)C(=CNC1=CC=CC(=C1)C)C(=O)NC(=O)OCC 1 2.053 3 6 0 -3.56031292582814 1815215 CCCCCCCCCN1C=C(C(=O)NC1=O)C(=O)C 1 2.494 2 3 -8.49060705577266 1815206 CC(C)N1C(=O)/C(=C\C2=CC=C(C=C2)OC)/C(=O)N(C1=O)CC3=CC=CO3 1 2.751 2 5 0 -8.01317368641813 1815138 C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CSC=C3)/NC2=O 1 2.181 2 2 -4.84427171099604 1815035 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2F)CC(=O)NCCC3=CCCCC3 1 4.609 2 3 -19.3997094748445 1814962 CC1=CC(=C(C=C1)C(=O)NCC=C)Cl 1 2.805 1 1 -7.1207463766702 1814960 CC1=CC(=C(C=C1)C(=O)NNC(=O)OC(C)(C)C)Cl 1 2.932 2 3 -5.85559409042062 1814952 CC1=C(C(=CC=C1)C)NC(=O)COC2=CC=CC(=C2)C=NNC(=O)C(=O)NCC3=CC=CC=C3 1 3.549 4 4 0 -16.8374424402755 1814928 C=CCOC1=CC=CC(=C1)CNCC2=CC=NC=C2 1 2.4 2 1 -4.23072268492239 1814918 CCC1=CC=C(C=C1)CNCCC2=CC=C(C=C2)F 1 4.42 1 0 2.18251949926937 1814916 CCC1=CC=C(C=C1)CNCCC2=CC=CC=C2F 1 4.42 1 0 4.07583677174916e-002 1814858 C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)Cl)NC(=O)C4=C(N=CC=C4)Cl 1 5.011 3 1 6.56317477121409 1814819 CCOCCCNCC1=CC=C(C=C1)OCC2=CC=CC=C2Cl 1 3.879 1 2 -3.43906273193133 1814805 CCOCCCNCC1=CC(=CC=C1)OCC2=CC=C(C=C2)F 1 3.42 1 2 -3.21471193535651 1814803 CCOCCCNCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2 1 3.963 1 2 -2.54731592365965 1814789 CCCCCCNCC1=C(C=CC=C1Cl)F 1 4.478 1 0 -3.55567607576308 1814758 CC1=CC=C(C=C1)S(=O)(=O)NCCSC2=NN=NN2C3=C(C=CC(=C3)C)C 1 3.818 5 2 0 -17.3559850620888 1814746 CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C 1 4.046 3 2 -2.48031543776798 1814667 CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NCCOCC3=CC=CC=C3Cl 1 0.799 5 4 0 -21.7043217558311 1814666 CC1=C(C=C(C=C1)OCCNC(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C)C 1 1.287 5 4 0 -20.8974294781487 1814634 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNCCCO)OC 1 0.848 2 4 0 -13.2571043780895 1814627 CCOC1=C(C(=CC(=C1)CNC2=CC=CC3=CC=CC=C32)Br)OCC(=O)NC(C)(C)C 1 5.186 2 3 -13.6729642210587 1814625 CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)Br)Br)OCC(=O)NC(C)(C)C 1 5.026 2 3 -16.0205660692137 1814611 CC1=NN=C(N1NC/C=C/C2=CC=CC=C2)SCC3=CC=C(C=C3)F 1 4.092 4 0 -5.4545600215038 1814607 C1=CC=C(C=C1)/C=C/CNN2C=NN=C2SCC3=CC=C(C=C3)F 1 3.831 4 0 -5.01006524909335 1814421 CCN=C1N(C(=O)/C(=C/C2=CC(=C(C(=C2)Cl)OC)OC)/S1)CC 1 3.737 2 3 -6.63072050728333 1814415 COC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5)OC 1 5.939 3 3 -5.79354562389524 1814414 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5 1 5.939 3 3 -3.8861777452283 1814408 COCCN(CCOC)S(=O)(=O)C1=CN=C(C=C1)Cl 1 0.408 2 4 0 -10.0782910099561 1814356 CC1=CC=C(C=C1)CN(CC(=O)NN=CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.603 3 4 0 -15.4853243733937 1814353 CC1=CC=C(C=C1)CN(CC(=O)NN=CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C 1 4.102 4 5 0 -16.5442046633536 1814330 CC1=C(C=C(C=C1)C=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] 1 4.797 3 4 0 -8.45260686001508 1814309 CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC=C(O3)CN(CCC#N)S(=O)(=O)C)/C(=O)NC2=S 1 2.608 4 5 0 -6.50813394080366 1814301 CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)CN(CCC#N)S(=O)(=O)C)/C(=O)NC2=S 1 2.608 4 5 0 -8.39189672539606 1814187 CC1=CC=C(C=C1)OCCCN2C=C(C3=CC=CC=C32)C#N 1 4.389 2 1 -4.13505091283652 1814144 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CN(CC3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)C4=CC=CC=C4 1 4.332 3 5 0 -14.947775368281 1814064 C1=CC=C(C=C1)OCCCN2C=C(C3=CC=CC=C32)C#N 1 3.902 2 1 -4.79169792181772 1813990 COC1=CC(=C(C=C1)C(=O)NCC=C)OC 1 1.622 1 3 0 -11.398320610669 1813834 COC1=CC=C(C=C1)C=NNC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 3.004 3 6 0 -21.096053669435 1813817 C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C=NNC(=O)C4=CC=CC=N4)[N+](=O)[O-] 1 4.599 5 3 0 -7.92190589238783 1813803 C=CCOCCN(CCOCC=C)C1=NS(=O)(=O)C2=CC=CC=C21 1 1.797 2 4 0 -8.28068038361164 1813662 CC1=CC(=NN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C 1 2.145 4 5 0 -9.24217756853147 1813635 COC1=C(C=C(C=C1)C(=O)ON=C2C3=CC=CC=C3C4=CC=CC=C42)OC 1 4.444 1 4 -3.24958564533251 1813530 CCOC1=CC=C(C=C1)N(CC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)C 1 2.543 4 6 0 -12.6469434765051 1813520 CCOC1=CC=CC=C1N(CC(=O)NN=CC2=C(C=CC(=C2)Br)OC)S(=O)(=O)C 1 2.716 3 5 0 -13.9502597709049 1813510 COC1=C(C=C(C=C1)Cl)N(CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)N)S(=O)(=O)C 1 1.137 4 6 0 -16.2720337886656 1813504 CCC1=CC=CC=C1N(CC(=O)NN=CC2=CC(=C(C=C2)OC(=O)OC)OC)S(=O)(=O)C 1 2.988 3 7 0 -18.8187344755403 1813501 CC1=CC(=C(C=C1)N(CC(=O)NN=CC2=C(N(C(=C2)C)C3=CC=CC=C3)C)S(=O)(=O)C)C 1 3.791 4 3 0 -13.8356077739267 1813488 CC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=CS2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 3.635 3 5 0 -20.9261108337603 1813460 CC1=C(C=C(C=C1)C(=O)NN=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)Br)C)[N+](=O)[O-] 1 4.979 4 3 0 -8.45272037909298 1813459 CC1=C(C=C(C=C1)N(CC(=O)NN=CC2=CC=CS2)S(=O)(=O)C)Cl 1 2.756 3 3 -14.3374211956546 1813457 CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)CN(C3=C(C=C(C=C3)C)C)S(=O)(=O)C)C 1 4.277 4 3 0 -13.8155299555489 1813453 CS(=O)(=O)N(CC(=O)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C2=CC=CC=C2 1 2.21 4 5 0 -11.9699542040007 1813430 CCOC1=C(C=C(C=C1)Cl)C=NNC(=O)CNC(=O)C2=CC=CC=C2 1 2.739 3 3 -10.6561105406932 1813404 CC1=CC=C(C=C1)N=C2N(C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC(=O)O)/S2)C 1 4.452 3 3 -5.15646764744026 1813337 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=C3C(=CC=C2)OCCO3)C4=CC=C(C=C4)OC 1 2.118 4 7 0 -15.2951655403707 1813292 CC(C)CN1C(=O)/C(=C/C2=CC=CS2)/SC1=NC3=CC=C(C=C3)OC 1 5.114 2 2 -6.30598183949058 1813290 CCCN1C(=O)/C(=C/C2=CC=CO2)/SC1=NC3=CC=C(C=C3)OC 1 4.236 2 3 -3.13441899645565 1813145 CCN1C(=O)/C(=C/C2=C(N(C(=C2)C)C)C)/SC1=NC3=CC=C(C=C3)OC 1 3.908 3 2 -3.45033590017159 1813141 CCN1C(=O)/C(=C/C2=CC=CS2)/SC1=NC3=CC=C(C=C3)OC 1 4.271 2 2 -3.90750439905416 1813095 CC(C)CN1C(=O)/C(=C/C2=CC=CO2)/SC1=NC3=CC=C(C=C3)OC 1 4.555 2 3 -4.48972604908578 1813031 CCCN1C(=O)/C(=C/C2=C(N(C(=C2)C)C)C)/SC1=NC3=CC=C(C=C3)OC 1 4.432 3 2 -4.49350628797787 1813019 CCCN1C(=O)/C(=C/C2=CC=C(O2)C)/SC1=NC3=CC=C(C=C3)OC 1 4.382 2 3 -3.37004637907571 1813003 CCCN1C(=O)/C(=C/C2=CC=C(S2)C)/SC1=NC3=CC=C(C=C3)OC 1 4.94 2 2 -2.16464537010086 1812955 CCN1C(=O)/C(=C/C2=CC=C(S2)C)/SC1=NC3=CC=C(C=C3)OC 1 4.416 2 2 -1.12147498229457 1812724 CC1=C(/C(=C/C2=CC=CO2)/C(=O)N1C3=CC(=CC=C3)OC)C(=O)OC 1 2.645 1 5 -6.90755204381966 1812675 CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)C(=O)NCC3=CC=CC=N3 1 2.188 5 2 0 -12.0473301585141 1812663 CCC1=NNC(=S)N1N=CC2=CC(=C(C(=C2)Br)OCC=C)Br 1 4.847 4 1 -8.51550711719967 1812653 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)CC3=CC=C(O3)C=NNC(=O)C(=O)NC4=CC=C(C=C4)F 1 4.576 4 5 0 -11.2826061682077 1812543 CCOC(=O)C(=O)NCC1=CC=C(O1)/C=C/2\C(=O)C(=C(N2C3=CC(=CC(=C3)C)C)C)C(=O)OC 1 3.558 2 7 0 -13.7209744130077 1812537 CC1=CC=C(N1C2=CC=C(C=C2)N3CCOCC3)C 1 2.847 2 1 -2.15457615434689 1812437 CCN1C(=C(/C(=C/C2=CC=CS2)/C1=O)C(=O)OC)C 1 1.992 1 3 0 -10.1742825001217 1812398 CC1=C(/C(=C/C2=CC=CO2)/C(=O)N1CC3=CC=C(C=C3)OC)C(=O)OC 1 2.652 1 5 -8.29870969370831 1812396 CCOC1=CC=C(C=C1)N2C(=C(/C(=C/C3=C(C=CS3)C)/C2=O)C(=O)OC)C 1 4.038 1 4 -10.4407771088347 1812357 CC1=C(C(=O)/C(=C\C2=CC=CS2)/N1C3=CC=C(C=C3)Cl)C(=O)OC 1 4.252 1 3 -6.40646616801186 1812291 COC1=CC=CC=C1N2CCN(CC2)C(=O)C(=O)NN=CC3=CC=CC=C3F 1 2.397 4 3 0 -6.66788473095686 1812286 COC1=CC=CC=C1C=NNC(=O)C(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.175 4 4 0 -7.27969227731523 1812268 CC1=C(C(=O)/C(=C\C2=CC=C(C=C2)O)/N1C3=CC=C(C=C3)Cl)C(=O)OC 1 4.057 1 4 -3.77600506083735 1812261 CC1=CC=CC=C1N2C(=CC(=C2C)/C=C\3/C(=O)NC(=O)N3)C 1 2.39 3 2 -10.656309094488 1812248 CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)/C=C\3/C(=O)NC(=O)N3)C 1 2.876 3 2 -10.0242594848247 1812011 CCN=C1N(C(=O)/C(=C/C2=CC=C(O2)SC3=CC=C(C=C3)Cl)/S1)CC 1 5.408 2 2 -0.336448475885298 1812009 CN=C1N(C(=O)/C(=C/C2=CC=C(O2)SC3=CC=C(C=C3)Cl)/S1)C 1 4.711 2 2 0.506136879893753 1811995 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC2=CC=CC=N2)C3=CC=CC=C3F 1 3.854 3 3 -22.2671164453559 1811969 CCOC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.503 4 4 0 -10.5106785992719 1811968 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC 1 2.531 4 5 0 -16.1354070376784 1811965 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=C3C(=CC=C2)OCCO3)C4=CC=CC=C4F 1 3.706 3 5 0 -13.3020911389259 1811962 CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=O)CN(C3=CC=CC=C3Br)S(=O)(=O)C 1 3.809 3 6 0 -14.9117917967684 1811958 CS(=O)(=O)N(CC(=O)NN=CC1=CC2=C(C=C1Br)OCO2)C3=CC=CC=C3Br 1 2.917 3 5 0 -15.7718345566665 1811957 CC1=C(C=C(O1)C=NNC(=O)CN(C2=CC=CC=C2Cl)S(=O)(=O)C)Br 1 2.605 3 4 0 -12.451359356148 1811956 COC1=C(C=CC(=C1)C=NNC(=O)CN(C2=CC=CC=C2Cl)S(=O)(=O)C)OC(=O)OC 1 2.711 3 7 0 -18.1600683892486 1811924 CCOC(=O)C(=CC1=CC(=O)C(=CO1)OC)C(=O)OCC 1 0.556 0 7 0 -1.43320495133192 1811826 COC1=CC(=CC(=C1OC)OC)/C=C/2\C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2 1 2.967 1 7 0 -3.68325419617354 1811818 CN(C1=CC=CC=C1)C(=O)CC(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4 1 5.18 2 2 -9.70759646288713 1811813 COC1=C(C2=C(C=C1)C=C(C=C2)Br)CC(=O)NCCCN3CCOCC3 1 2.602 2 3 -8.16776317649182 1811811 CCCCN(C)C(=O)CC1=C(C=CC2=C1C=CC(=C2)Br)OC 1 4.247 1 2 -2.36299287132497 1811810 COC1=C(C2=C(C=C1)C=C(C=C2)Br)CC(=O)NCC=C 1 3.33 1 2 -7.79652010708508 1811809 CCCNC(=O)CC1=C(C=CC2=C1C=CC(=C2)Br)OC 1 3.585 1 2 -7.36928732480607 1811808 CCCCNC(=O)CC1=C(C=CC2=C1C=CC(=C2)Br)OC 1 4.042 1 2 -8.07516862361765 1811788 CCCCC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.278 3 4 0 -19.5648682978163 1811779 CCCCNC(=O)CC1=COC2=C1C3=CC=CC=C3C=C2 1 3.613 1 2 -9.90481778128327 1811671 C1COCCN1CCCN=CC2=CC3=C(C=C2)OCO3 1 1.506 2 3 0 -3.49905165279896 1811646 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C(=O)NC3=CC(=CC=C3)Cl 1 2.382 3 4 0 -5.75032558055585 1811624 C1CSC(=N1)SCC(=O)NC(C2=CC=CC=C2)NC(=O)CSC3=NCCS3 1 3.44 4 2 -16.3331250098005 1811615 C1COC2=C(C=CC=C2O1)C=NNC(=O)CN(C3=CC(=C(C=C3)Cl)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4 1 4.621 3 5 0 -11.6736444571581 1811604 CCC1=CC=C(C=C1)OCCNC(=O)OCC2=CC=CC=C2 1 4.175 1 3 -6.15075018933162 1811598 CN(C1=CC=CC=C1)C(=O)COC2=CC=CC=C2C(=O)NCCOC3=CC=CC=C3 1 3.496 2 4 -13.1466055708565 1811597 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CCCO 1 1.851 5 2 0 -15.9457636906977 1811596 CC1=C(C(=CC=C1)C)OCCNC(=O)OCC2=CC=CC=C2 1 4.205 1 3 -6.97857303468076 1811587 CNC1=NNC(=S)S1 1 1.433 3 0 0 -6.67198934867344 1811583 C1CCC(CC1)CC(=O)NCCOC2=CC=CC=C2 1 3.377 1 2 -13.153484575386 1811580 CC1=C(C=C(C=C1)OCCNC(=O)C2=CC(=CN=C2)Br)C 1 3.24 2 2 -6.46594722430731 1811578 CCCCSC1=CC=C(C=C1)NC(=O)C2=CN=CC=C2 1 3.334 2 1 -7.28277790141427 1811569 C1=CC=C(C=C1)C(=O)CCC(=O)NCCC2=CNC3=CC=CC=C32 1 3.191 2 2 -14.4668886794571 1811567 C1=CC=C(C=C1)OCCNC(=O)C2=NNC(=O)C3=CC=CC=C32 1 1.82 3 3 0 -14.3348139138018 1811564 CC1=CC=CC=C1OCCNC(=S)NC2=CC=CC=C2 1 4.63 2 1 -7.69558168055449 1811563 C1=CC=C(C=C1)NC(=O)CSCCCC(=O)O 1 1.482 1 3 0 -13.1263131403011 1811557 CC1=NC2=C(C=CC=C2SCC(=O)NCC#N)C=C1 1 1.631 3 1 0 -11.4268480198781 1811447 COC1=CC2=C(C=C1)C(=O)/C(=C/C=C/C3=CC=CC=C3)/CC2 1 4.714 0 2 8.60412956882843 1811463 COC1=CC2=C(CC/C(=C\C=C\C3=CC=CC=C3)/C2=O)C=C1 1 4.714 0 2 8.1468216023883 1811460 COC1=CC2=C(C=C1)C(=O)/C(=C/C=C/C3=CC=CC=C3OC)/CC2 1 4.698 0 3 7.25124875592481 1811376 C1=CC=C(C=C1)CSC2=CC3=CC=CC=C3N2 1 4.373 1 0 -0.713106329749994 1811330 C1=CC(=C(C=C1F)Cl)OC2=NC(=NC=C2)Cl 1 3.876 2 1 0.714670466832078 1811284 CC1=CC2=C(C=C1)OC3=C(C=CC=N3)C(=O)N2CC4=CC(=CC=C4)Cl 1 4.673 2 2 4.67005519362787 1811261 C1=CC=C(C=C1)C(=O)CCC(=O)NCCOC2=CC=CC=C2 1 2.625 1 3 -11.8839636100199 1811256 CS(=O)(=O)NCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32 1 2.021 2 5 0 -18.0677024753358 1811255 C1OC2=C(O1)C=C(C=C2)C(=O)NCCOC3=CC=CC=C3 1 2.438 1 4 -9.25566436625996 1811250 CCC1=CC(=C(C=C1)OC)S(=O)(=O)NCCOC2=CC=CC=C2 1 3.299 1 4 -6.16019423480973 1811246 C1=CC=C(C=C1)C(=O)NCCOC2=CC=CC=C2 1 2.67 1 2 -8.04710473725266 1811245 CC1=CC(=CC(=C1S(=O)(=O)NCCOC2=CC=CC=C2)C)N3CCCC3=O 1 2.927 2 4 -13.4508045019813 1811244 CCC1=CC=C(C=C1)OCC(=O)NCCOC2=CC=CC=C2 1 3.448 1 3 -8.5870190992593 1811239 C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NCCOC3=CC=CC=C3 1 1.954 2 4 0 -15.1051447592377 1811238 C1=CC2=C(C(=C1)OCCNC(=O)C3=CC=CS3)N=CC=C2 1 2.81 2 2 -12.9433995103005 1811235 C1=C(SC(=C1)Br)S(=O)(=O)NCCCC(=O)O 1 1.146 1 4 0 -13.9143251603685 1811227 CC(C)(C)C1=CC=C(C=C1)OCCNC(=S)NC2=CC=CC=C2 1 5.544 2 1 -5.2874528178567 1811226 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CCOCC2=CC=CC=C2 1 1.52 2 4 0 -11.9026021591875 1811220 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)OCCNS(=O)(=O)C 1 1.77 2 5 0 -6.75873727719852 1811214 CC1=CC(=C(C=C1)C(C)C)OCCNC(=O)C2=CC(=CN=C2)Br 1 3.948 2 2 -5.20338383190774 1811210 COC1=C(C=C(C=C1)S(=O)(=O)NCCOC2=CC=CC=C2)F 1 2.562 1 4 -6.21794845733139 1811207 COC1=C(C=C(C=C1)S(=O)(=O)NCCOC2=CC=CC=C2)OC 1 2.34 1 5 -10.0226834725068 1811202 CCNS(=O)(=O)C1=CC=C(C=C1)OCCNS(=O)(=O)C 1 5.6e-002 2 5 0 -8.80219164130056 1811200 CC(C)C1=CC=CC=C1OCCNC(=O)C2=CC(=CN=C2)Br 1 3.462 2 2 -6.78001149925738 1811199 CC1=CC(=CC(=C1S(=O)(=O)NCCOC2=CC=C(C=C2)C(C)(C)C)C)N3CCCC3=O 1 4.327 2 4 -10.3844363409012 1811191 CSC1=CC(=C(C=C1)Cl)C(=O)NCCOC2=CC=CC=C2 1 3.876 1 2 -4.39285663630808 1811185 CC1=C(C(=CC=C1)C)OCCNC(=O)CCC(=O)C2=CC=CC=C2 1 3.598 1 3 -12.3051316706276 1811175 CCC1=C(N=C(S1)N(C2=CC=CC(=C2)C)C(=O)CC3=CC=CC=C3)C4=CC=CC=C4 1 6.674 2 1 0.277210589943138 1811174 CC1=CC=CC=C1C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32 1 2.672 2 4 -10.7580013225482 1811102 CCC1=C(N=C(S1)N(C2=CC(=CC=C2)F)C(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C 1 6.88 2 1 2.20363401866391 1811089 CCC1=C(N=C(S1)N(C2=CC=C(C=C2)F)C(=O)CC3=CC=CC=C3)C4=CC=CC=C4 1 6.394 2 1 1.09380370944658 1811074 C1=CC=C(C(=C1)N)OCCOC2=CC=CC=C2N 1 1.952 2 2 0 -1.94927676645008 1811072 CCC1=C(N=C(S1)N(C2=CC=CC=C2)C(=O)CC3=CC=CC=C3)C4=CC=CC=C4 1 6.188 2 1 -0.413304866414698 1811053 C1=CC=C(C=C1)OCCNC(=O)C2=CC(=CN=C2)Br 1 2.268 2 2 -6.62843134688877 1811018 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCCOC3=CC=C(C=C3)Cl 1 3.949 2 2 -7.05152535541392 1811012 CC(=O)CCC(=O)NCCC1=CC=CC=C1F 1 1.429 1 2 0 -16.0924132791782 1811009 CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=NN=NN4CC5=CC=CC=C5)C 1 5.705 7 2 0 -27.4026323454596 1811005 CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2=CC=CC=C2OC 1 4.054 1 3 -6.11151900445814 1811002 C1=CC=C(C=C1)OCCNC(=O)C2=CC3=CC=CC=C3O2 1 3.265 1 3 -2.62714949422847 1810990 COC1=CC(=C(C(=C1)OC)CCC(=O)C2=CC(=C(C(=C2)OC)OC)OC)O 1 3.401 0 7 0 -5.09787187503554 1810986 CC1=CC(=O)OC(=C1)CCCCCCCCC2=CC(=CC(=O)O2)C 1 5.067 0 4 -3.27974746781629 1810978 CC1=CC(=C(C=C1)NC(=S)NCCO)C 1 2.945 2 1 -9.97286251402282 1810969 CS(=O)(=O)N(CC(=O)NCCSCC1=CC(=CC=C1)Cl)C2=CC=C(C=C2)F 1 3.074 2 3 -15.1950333253889 1810963 COC1=CC=CC(=C1)N(CC(=O)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.845 2 4 -13.2102311872899 1810958 CC1=CC=C(C=C1)CSCCNC(=O)CSC2=CC=CC=C2 1 4.115 1 1 -10.8692971455736 1810834 CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=CC=N3)/SC2=O 1 2.548 3 3 -3.93605656833759 1810805 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CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=NC=C3)/SC2=O 1 2.12 3 3 -6.75435557294312 1810577 CCN(CC)C1=CC=C(C=C1)C=NO 1 2.516 2 1 -1.95804231094705 1810570 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=CC=N3)/SC2=O 1 2.548 3 3 -5.72630789514194 1810568 C=CCSC1=C(C=CC=N1)C(=O)O 1 2.006 1 2 -9.7402873543354 1810552 CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4C 1 4.591 2 6 0 -8.44350535518405 1810548 CC1=CC=CC=C1NC(=O)CN2C(=O)/C(=C/C3=CC=C(O3)C4=C(C(=CC=C4)C(=O)O)C)/SC2=O 1 4.591 2 6 0 -8.35043771107503 1810505 CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)/C(=O)N2 1 4.237 2 5 0 0.250435460796501 1810490 CN1C2=C(C=C(C=C2)S(=O)(=O)NCC=C)N(C1=O)C 1 0.632 3 3 0 -15.629814650242 1810473 CCC1=CC(=CC(=C1)C)OCCNC(=O)C2=CC(=CN=C2)Br 1 3.696 2 2 -6.51675529658488 1810453 C1C/C(=C\C2=CC=CS2)/C(=O)C3=CC=CC=C31 1 4.216 0 1 1.03648561173909 1810228 C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O 1 2.013 2 5 0 -9.2787154772357 1810029 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CC1=C(C(=CC=C1)NC(=O)CSC2=NC(=C(C(=C2C#N)C)CC(=O)C3=CC=C(C=C3)Br)C)C 1 6.204 3 2 -14.6259698673038 1803030 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=C(C(=C2C#N)C)CC(=O)C3=CC=C(C=C3)Br)C 1 6.204 3 2 -17.222213990482 1802773 CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2)CCC(=O)NCCCC(=O)O 1 3.743 1 6 0 -28.0149084488419 1802393 C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)O 1 0.361 1 3 0 -2.24509660385207 1802345 CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=CC=C4)CC(=O)NCCCC(=O)O 1 3.422 1 6 0 -17.7894221926911 1802247 CCN1CCN(CC1)C(=O)/C(=C/C2=CC=CS2)/NC(=O)C3=CC(=C(C=C3)C)C 1 3.432 3 2 -16.6061982236487 1802221 CC1=C(C=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCCC3=CNC4=CC=CC=C43)C 1 4.56 3 3 -20.1234694077654 1802124 CCC1=CC=C(C=C1)NC(=O)CCNC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.281 4 3 0 -16.509820360989 1801874 CC(C)[C@@H](C(=O)NC1=CC=CC=C1F)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.623 4 3 0 -19.1831356757998 1801781 C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O 1 3.442 1 6 0 -19.2766230275418 1801772 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=CC=C3Cl)CCC(=O)O 1 5.144 0 5 -7.95058399674999 1801510 COC1=C(C2=C(C(=C1OC)OC)OC(=CC2=O)C3=C(C=CC=C3O)O)O 1 2.361 0 8 0 3.78781126622272 1801434 CCOC(=O)C1=C(SC2=C1CCCCC2)N3C(=O)NC4=CC(=C(C=C4N3O)Cl)Cl 1 5.155 3 4 0 -10.8270007880232 1801262 C1=CC=C(C(=C1)N2C(=O)C(=C(C=N2)OCCN)Cl)Cl 1 1.369 3 2 0 9.32500930597939e-002 1801236 C#CCOC1=COC(=CC1=O)COC(=O)C2=CC=CC=C2 1 2.351 0 5 -8.93855925885325 1801150 COC1=CC=CC=C1NC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NN 1 1.625 5 3 0 -14.6712753281321 1801132 C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)NCCC(=O)NC4=CC(=CC=C4)Cl 1 1.003 4 3 0 -13.5215129685045 1801129 CC1=CC=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.904 4 3 0 -18.7170804529573 1801052 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC#N 1 2.682 3 1 -7.90586562736304 1800992 C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCCC(=O)O 1 1.89 2 6 0 -9.61877134360507 1800990 CCCSC1=NN2C(=O)C3=CC=CC=C3N=C2S1 1 4.15 3 1 -11.099354491939 1800983 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3(OCCO3)C4=CC=C(C=C4)Br 1 4.23 2 6 0 -7.24187161078737 1800867 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC4=C(C=C3Cl)OCO4)CCC(=O)O 1 4.912 0 7 0 -6.57281309268581 1800857 COC1=C(C=CC(=C1)/C=C/2\C(=N)N3C(=NC2=O)SC=N3)OS(=O)(=O)C4=CC=CC=C4 1 3.47 4 5 0 -21.7478583057532 1800769 CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=CC=NC=C2)Cl)OS(=O)(=O)C 1 2.088 3 5 0 -13.6326930974556 1800766 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)OS(=O)(=O)C 1 1.423 3 5 0 -14.5413680649734 1800675 CC(C)[C@@H](C(=O)NC1=CC(=CC=C1)OC)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.401 4 4 0 -18.7733412674138 1800660 CCOC1=CC=C(C=C1)NC(=O)CCNC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 0.671 4 4 0 -17.4495715860621 1800504 COC1=C(C=C(C=C1)CCNC(=O)NCCC2=CNC3=CC=CC=C32)OC 1 3.439 3 3 -12.5304245695795 1800393 C1=CC=C2C(=C1)C=CC(=S)N2 1 2.623 1 0 -1.61515004535882 1800097 CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O 1 3.367 1 6 0 -15.8509014708239 1800010 CN(C)CCCNC(=O)C1(CCOCC1)C2=CC=C(C=C2)OC 1 1.364 2 3 0 -11.7404186932723 1799978 CC1=CC(=CC(=C1)COC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC(=O)O)C)C)C 1 4.996 0 5 -7.26007353827833 1799746 CCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)CC(=O)OC)C 1 3.052 0 5 -10.3500147875316 1799645 CCCNC(=O)NC1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC 1 3.492 3 5 0 -13.7128194790208 1799412 C=CCSC1=NC2=C(CCC2)C=C1C#N 1 3.32 2 0 -12.5812591391935 1799405 COC(=O)CCCC(=O)NC1=CC=C(C=C1)Br 1 2.225 1 3 -14.4575864266365 1799402 CC(=CCC/C(=C/C=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])/C)C 1 4.178 3 3 -10.1502233202863 1799331 C1=CC=C(C(=C1)C(=O)N)N/C=C/C(=O)C2=CC=CO2 1 1.44 2 3 0 -0.747697681147213 1799316 COC1=CC=CC=C1C(=O)NCCCCNC(=O)C2=CC=CC=C2OC 1 2.504 2 4 -11.0968350967672 1799292 CCOC(=O)C(=O)NC1=NOC(=C1)C 1 0.439 2 4 0 -12.5318027217088 1799279 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=C(C=C3)F)F)CC(=O)O 1 4.435 0 5 -4.72831088793323 1799208 C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)NC4=CC=CC(=C4)C(=O)O 1 0.66 3 4 0 -9.1072593095727 1799204 CCOP(=O)(C1=C(OC(=N1)C2=C(C=C(C=C2)Cl)Cl)N3CCCCC3)OCC 1 4.663 2 4 4.52285454550888 1799143 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=CC=C3F)CCC(=O)O 1 4.199 0 5 -10.9526825093801 1799074 CC1=CC=CC=C1NNC(=NC2=CC(=CC=C2)Cl)C(=O)C 1 3.836 3 1 2.79375898991954 1799070 CC(=O)C(=NC1=CC=CC=C1Cl)NNC2=CC=C(C=C2)Cl 1 4.014 3 1 4.49144609306842 1799038 CC(=O)C(=NC1=C(C=C(C=C1)Cl)Cl)NNC2=CC(=CC=C2)Cl 1 4.679 3 1 5.42997719702487 1798952 COC1=CC(=CC(=C1OC)OC)/C=C\2/CCC3=CC=CC=C3C2=O 1 4.213 0 4 -1.07471987298637 1798950 CC(=O)NC1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 2.2e-002 5 4 0 -23.6009311579593 1798825 CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC(=CC=C4)OC)CC(=O)O 1 3.776 0 6 -2.09390044946 1798823 CCOC(=O)/C(=C\OCCOC1=CC(=C(C=C1)Cl)Cl)/C2=CC=CC=C2 1 4.881 0 4 -1.96631024718948 1798821 CCOC(=O)/C(=C\OCCOC1=C(C=C(C=C1)Cl)Cl)/C2=CC=CC=C2 1 4.881 0 4 -0.969344288090777 1798806 COC(=O)/C(=C\OCCOC1=CC=C(C=C1)Cl)/C2=CC=CC=C2 1 3.867 0 4 -0.476358738027845 1798755 CN(CC(=O)N1CCCC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 1.321 2 4 0 -13.3964908483093 1798754 CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC(=CC=C4)OC)CC(=O)O 1 4.262 0 6 0.339776550432115 1798746 C=CCNC(=O)CSCC1=CC=C(C=C1)Br 1 2.803 1 1 -14.6318537102173 1798743 CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)NCC=C 1 1.388 2 3 0 -20.8841588390449 1798712 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCSCC3=CC=CC=C3)Cl 1 2.704 2 4 -24.4971806153715 1798711 CC1=CC=CC=C1CSCCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 3.19 2 4 -25.4030779758812 1798709 CC(C)(C)SCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2 1 2.052 2 4 -24.2735779932053 1798703 CC1=CC=C(C=C1)CSCCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 3.19 2 4 -23.6823657105919 1798666 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O)C 1 4.137 2 6 0 -13.9252922605026 1798618 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)CSCC3=CC=CC=C3 1 2.442 5 1 -19.3321542193449 1798612 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)CSCC3=CC=C(C=C3)Cl 1 3.106 5 1 -16.6953406239785 1798597 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)CSCC3=CC(=C(C=C3)Cl)Cl 1 3.771 5 1 -17.1960139573118 1798579 CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O 1 3.928 1 6 0 -15.4895358123305 1798506 C1CCN(C1)C2=CC=C(C=C2)/C=C\3/C(=O)N(C(=S)N3)C4CC4 1 3.149 3 1 -5.02701632655177 1798503 C1CC1N2C(=O)/C(=C/C3=CC=CS3)/NC2=S 1 2.479 2 1 -6.57454000992706 1798481 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4 1 4.846 1 6 0 -17.9547270384206 1798370 C1=CC(=CC=C1/C=C(\CS(=O)(=O)[O-])/C2=CC=[N+](C=C2)CCO)Cl 1 0.6 1 4 0 -1.67567145190615 1798323 CCCCC(=O)NC1=CC=C(C=C1)NCC2=CC=C(S2)C 1 3.807 2 1 -7.01068738760206 1798295 COC1=C(C=CC(=C1)CNC2=CC=C(C=C2)N3CCCC3)OCC4=CC=CC=C4 1 5.396 2 2 -4.90692638523631 1798249 COC1=C(C=CC(=C1)CNC2=CC=C(C=C2)N3CCCC3)OCC4=CC=CC=C4F 1 5.601 2 2 -4.83268254982717 1798247 COC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)NCCC2=CC=CC=C2 1 3.021 2 3 -14.2275911184768 1798230 CCCCCC(=O)NC1=CC=CC=C1N2CCOCC2 1 2.835 2 2 -10.8740784601298 1798188 COC1=C(C=C(C=C1)C(=O)NC(=S)N2C[C@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)OC 1 2.293 3 4 0 -17.5980533920377 1798180 C1[C@@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)C(=S)NC(=O)/C=C/C4=CC=C(C=C4)Br 1 3.542 3 2 -9.62169710892669 1798172 CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C 1 6.743 2 1 -4.79383111755174 1798162 CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C 1 2.782 3 5 0 -14.3014904756373 1798157 CCCCCC(=O)NC(=S)NC1=C(C=C(C=C1)Br)C 1 5.372 2 1 -12.5494166007972 1798137 C1[C@@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)C(=S)NC(=O)C4=C(C=C(C=C4)Cl)Cl 1 3.654 3 2 -8.19364884689774 1798129 CCCC(=O)N1CC2(CN(CC(C1)(C2=O)CCC)C(=O)CCC)C 1 2.375 2 3 -13.7820722244685 1797999 COC1=CC(=CC(=C1OC)OC)CC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.108 2 5 0 -14.0681285518714 1797981 CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NCC(C)C 1 4.184 2 2 -3.18229396932538 1797759 CCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)/C=C/3\C(=C(C(=O)N(C3=O)C)C#N)C)Cl 1 4.641 2 5 0 -1.15945270833891 1797701 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CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C(C)C)C 1 3.026 5 3 0 -17.4347337114597 1792463 CC(C)C(=O)NC(=S)NC1=CC=CC(=C1)C(=O)C 1 2.971 2 2 -12.856630759436 1792447 CC(C)C(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2 1 4.016 3 2 -14.6704429404094 1792422 CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2 1 3.719 3 3 -12.4814067974174 1792409 CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2 1 4 3 3 -18.3182526979977 1792408 CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2 1 3.931 3 3 -15.1586039639623 1792405 CC1=CC(=C(C(=O)N1NC(=S)NC(=O)C(C)C)C#N)C 1 1.781 4 2 0 -12.5354314723872 1792387 CCOC(=O)/C=C/C(=O)NC1=CC=CC=C1C(=O)NC2CCCCC2 1 2.834 2 4 -13.0642412298366 1792379 CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2 1 2.461 2 5 0 -12.4832756403121 1792359 CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3CCCCC3 1 5.786 3 2 -12.5438002854871 1792354 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3CCCCC3 1 5.284 3 3 -12.9567664946313 1792346 C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3CC3 1 3.926 3 2 -15.3186229062149 1792320 C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CC=C3 1 5.3 3 2 -12.8841570995839 1792263 CN(C1CCCCC1)C(=S)NC(=O)/C=C/C2=CC=CC=C2OC 1 4.757 2 2 -7.52767804349962 1792254 CN(C1CCCCC1)C(=S)NC(=O)/C=C/C2=CC=C(C=C2)F 1 4.979 2 1 -6.07415145219946 1792243 CC1=CC=C(C=C1)C(=O)NC(=S)N(C)C2CCCCC2 1 4.792 2 1 -9.15976450847986 1792237 CN(C1CCCCC1)C(=S)NC(=O)C2=CC(=C(C=C2)OC)Br 1 5.037 2 2 -10.0240126109328 1792233 CN(C1CCCCC1)C(=S)NC(=O)C2=CC=CC=C2 1 4.305 2 1 -9.95541207598921 1792220 CC1=CC=CC(=C1)C(=O)NC(=S)N(C)C2CCCCC2 1 4.792 2 1 -8.98191363422187 1792197 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3OC 1 4.911 3 4 0 -13.3250551909632 1792132 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CC3 1 3.553 3 3 -15.1199294404138 1792091 C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3CCC3 1 4.382 3 2 -11.6890252010698 1792066 C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CC=C3Cl 1 5.964 3 2 -10.965351992228 1792017 CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC 1 3.948 3 4 0 -12.1943370694541 1791998 CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N(CC=C)CC=C 1 4.635 2 1 -12.6291992000657 1791983 C=CCN(CC=C)C(=S)NC(=O)CC1=CC=CC2=CC=CC=C21 1 4.624 2 1 -13.488452514539 1791979 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N(CC=C)CC=C 1 4.132 2 2 -13.0421654092099 1791967 CC1=C(C=C(C=C1)C(=O)NC(=S)N(CC=C)CC=C)Br 1 4.915 2 1 -13.7024507719324 1791961 COC1=C(C=C(C=C1)C(=O)NC(=S)N(CC=C)CC=C)Br 1 4.413 2 2 -15.7811639641297 1791946 COC1=CC=C(C=C1)C(=O)NC(=S)N(CC=C)CC=C 1 3.664 2 2 -15.3298820708209 1791940 C=CCN(CC=C)C(=S)NC(=O)/C=C/C1=CC=CC=C1 1 4.149 2 1 -12.8011430171501 1791929 C=CCN(CC=C)C(=S)NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 5.199 2 1 -11.754019459679 1791868 CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C 1 2.551 4 3 0 -23.6704479001189 1791859 CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)C 1 3.319 3 3 -19.6802679926239 1791853 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CC(C)C 1 4.296 3 4 0 -12.9605602211621 1791789 CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 2.961 4 3 0 -15.9623733649621 1791779 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC(C)C 1 3.291 3 3 -19.9175884207475 1791766 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CC(C)C)C 1 3.272 5 3 0 -17.0537320127371 1791757 CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC(=N2)OC)OC 1 3.752 5 5 0 -24.3139031559054 1791737 CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2 1 4.261 3 2 -14.2894412416869 1791709 COC1=CC=C(C=C1)NC(=S)NC(=O)C2CCC2 1 3.299 2 2 -5.05290810938322 1791701 C1CC(C1)C(=O)NC(=S)NC2=CC=C(C=C2)Br 1 4.064 2 1 -4.2746029547537 1791690 CC1=CC(=C(C(=O)N1NC(=S)NC(=O)CC(C)C)C#N)C 1 2.027 4 2 -12.1544297736647 1791688 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2CCC2 1 2.432 3 3 -10.2109760325622 1791684 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2CCC2 1 3.158 3 3 -14.4155447552706 1791680 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2CCC2 1 2.011 3 4 0 -11.8826906568886 1791678 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2CCC2 1 3.13 3 3 -14.6528651833942 1791668 COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2CCC2 1 3.171 2 3 -7.72511866561114 1791629 CC(C)NC(=S)NC(=O)/C=C/C1=CC=CC=C1OC 1 3.089 2 2 -10.6197505461494 1791609 CC(C)NC(=S)NC(=O)/C=C/C1=CC=C(C=C1)F 1 3.311 2 1 -9.1662239548492 1791579 CC(C)NC(=S)NC(=O)C1=CC(=C(C=C1)OC)Br 1 3.369 2 2 -13.4193806591209 1791576 CN(C1=CC=CC=C1)C(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 5.853 2 2 -7.62284218323989 1791569 CC(C)NC(=S)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC 1 2.588 2 4 -16.5233414062298 1791561 CC(C)NC(=S)NC(=O)/C=C/C1=CC=CC2=CC=CC=C21 1 4.014 2 1 -6.79839971491729 1791513 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 3.326 4 3 0 -22.061517319831 1791505 CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 3.326 4 3 0 -21.883666445573 1791497 CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C 1 1.843 4 3 0 -20.6550310750608 1791488 CN1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=CC=C2OC 1 2.856 3 2 -7.34351960737819 1791480 CN1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=CC=C2Cl 1 3.537 3 1 -4.85500875127172 1791457 CN1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=CC3=CC=CC=C32 1 3.781 3 1 -3.52216877614613 1791452 CC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C 1 2.891 3 1 -9.06406615530451 1791438 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C)C 1 1.897 5 3 0 -14.1706062614661 1791430 CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC(=N2)OC)OC 1 2.377 5 5 0 -21.4307774046344 1791390 CC1=C(C=C(C=C1)NC(=S)NC(=O)C2CC2)Cl 1 4.01 2 1 -7.89178393934027 1791346 CC1=CC=C(C=C1)OCC(=O)NCCCNC(=O)COC2=CC=C(C=C2)C 1 2.6 2 4 -9.62439756212478 1791317 CC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2CCCCC2)C 1 3.943 3 3 -5.78830099890952 1791313 CC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2CC2)C 1 2.574 3 3 -9.18297960464927 1791308 CC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br)C 1 3.444 3 4 0 -9.99772039992098 1791302 CC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CS2)C 1 3.434 3 3 -9.67551073985176 1791279 CC1=C(C(=CC=C1)C)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C 1 3.967 3 3 -13.0902798634963 1791272 CC(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2CC2 1 2.796 3 3 -10.001039568227 1791268 CC1=CC(=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2CC2)C 1 2.574 3 3 -10.6079065310005 1791263 CC1=C(C(=CC=C1)C)OCC(=O)NNC(=S)NC(=O)C2CC2 1 2.574 3 3 -12.6839722451855 1791258 CC1=C(C(=CC=C1)C)OCC(=O)NNC(=S)NC(=O)CC2=CC=C(C=C2)OC 1 3.499 3 4 0 -10.4963641835203 1791199 CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br)Cl 1 3.622 3 4 0 -10.1278932677595 1791195 CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CS2)Cl 1 3.613 3 3 -9.80568360769031 1791154 CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2CCCCC2)Br 1 4.661 3 3 -6.40291867192147 1791148 CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2CC2)Br 1 3.293 3 3 -9.79759727766123 1791144 COC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2CCCCC2 1 2.954 3 4 0 -7.44806343948253 1791140 COC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2CC2 1 1.586 3 4 0 -10.8427420452223 1791133 COC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br 1 2.455 3 5 0 -11.657482840494 1791094 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)OC 1 3.211 4 6 0 -20.0701699066435 1791077 CCN(C1=CC=CC=C1)C(=S)NC(=O)CCC2=CC=CC=C2 1 4.959 2 1 -12.3512526015522 1791068 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3 1 4.489 3 3 -16.8487567901342 1791059 COC1=CC=C(C=C1)OCC(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)Cl 1 3.74 3 5 0 -5.41216592737147 1790971 CCN(C1=CC=CC=C1)C(=O)CCC(=O)N(CC)C2=CC=CC=C2 1 3.06 2 2 -8.63132256660013 1790967 CCN(C1=CC=CC=C1)C(=O)CCCC(=O)N(CC)C2=CC=CC=C2 1 3.516 2 2 -10.4793527016087 1790952 C1CC1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 2.344 4 3 0 -14.3813480206187 1790925 C1=CC(=CC=C1NC(=S)NC(=O)C2=CC=C(O2)Br)S(=O)(=O)NC3=NC=CS3 1 3.214 4 4 0 -15.1960888158904 1790909 C1=CC(=CC=C1NC(=S)NC(=O)C2=CC=C(O2)Br)S(=O)(=O)N 1 2.434 3 4 0 -14.8087766223606 1790832 CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC=CO2)C 1 2.581 3 3 -12.2580911933098 1790776 CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)C 1 5.179 3 3 -11.9919500533899 1790753 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.465 4 6 0 -28.1155619922534 1790741 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.721 4 4 0 -16.3784664137609 1790708 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OC 1 1.799 4 6 0 -28.3812055668664 1790703 CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br 1 2.526 4 4 0 -11.6938981721222 1790700 CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OC 1 3.143 3 3 -11.6332454720052 1790695 COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2 1 3.148 3 3 -13.1684625504033 1790691 CC1=CC(=CC=C1)OCC(=O)NC(=S)NNC(=O)C2=CC=NC=C2 1 1.844 4 3 0 -6.76226360715296 1790688 CC1=CC=CC(=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OC 1 3.143 3 3 -7.41640543645239 1790679 CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)OC 1 1.659 3 3 0 -7.20600410278902 1790676 CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CS2 1 2.87 4 3 0 -17.1551920297041 1790672 CC1=CC=CC(=C1)C(=O)NNC(=S)NC(=O)C2=CC=CS2 1 3.113 3 2 -7.88809100372076 1790669 CC1=C(C=CO1)C(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.087 3 4 0 -5.73548638867357 1790658 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)Cl 1 3.288 3 5 0 -9.25206634352319 1790651 C1=CC=C(C=C1)CCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)Cl 1 3.829 3 2 -10.9334976506723 1790637 CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=CC=CC=C2 1 2.995 3 3 -7.52762257161084 1790631 CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)COC2=CC=CC=C2 1 2.995 3 3 -11.4682035511773 1790620 CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.488 3 2 -3.01467708477348 1790616 CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.488 3 2 -6.57624349863643 1790614 C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.837 3 3 -6.31139384536938 1790587 CC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.11 3 5 0 -13.6429130780805 1790582 COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F)Br 1 3.611 3 3 -7.15127035929629 1790578 CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC=CC=C2 1 3.159 3 2 -12.1843398273828 1790575 C1=CC=C(C=C1)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2 1 3.164 3 2 -13.8441753708167 1790571 CC1=CC=CC(=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2 1 3.159 3 2 -7.45173011474472 1790551 CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Cl 1 3.659 3 3 -8.25674446408932 1790548 CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=CS2 1 3.113 3 2 -9.404203497188 1790544 CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2Cl 1 3.824 3 2 -8.74989922316152 1790538 CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)Cl 1 3.824 3 2 -5.18144053672144 1790496 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C 1 4.793 4 4 0 -18.0939285559615 1790491 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CS2 1 4.027 3 2 -6.90652599580991 1790476 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2 1 3.909 3 3 -8.16669389179162 1790459 CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br 1 2.88 4 4 0 -17.4774016897734 1790448 C1=CSC(=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br 1 2.59 3 3 -10.3273061761374 1790341 CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNS(=O)(=O)C2=CC=CC=C2)C 1 1.882 3 4 0 -13.2223855409631 1790335 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNS(=O)(=O)C2=CC=CC=C2)C 1 1.882 3 4 0 -15.7368118233021 1790278 CC1=CC(=C(C=C1)C)OCC(=O)NCCNC(=O)COC2=C(C=CC(=C2)C)C 1 3.51 2 4 -7.80943741387153 1790192 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=O)COC2=CC=CC3=CC=CC=C32)C 1 2.923 3 4 0 -13.2290198413112 1790172 CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=O)COC2=C(C=CC(=C2)C)C 1 2.987 3 4 0 -13.2023896035697 1790061 CN(CC1=CC=CC=C1)C(=O)CCC(=O)N(C)CC2=CC=CC=C2 1 2.376 2 2 -9.53351641282207 1789996 CC1=CC(=C(C=C1)O)NC(=S)NC(=O)CC(C)C 1 3.721 2 2 -5.75352820801558 1789976 CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NNC(=O)OC 1 3.114 2 4 -6.31758444788042 1789960 CC(C)C(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)N 1 3.403 3 2 -17.6703163248408 1789944 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)CCC(=O)NC2=CC=CC=C2 1 2.607 3 3 -8.81392989488549 1789938 CC1=C(C=CC(=C1)OCC(=O)NNC(=O)OC)Br 1 1.92 2 4 0 -8.98183162987289 1789876 CC1=C(C=C(C=C1)C(=O)NNC(=O)CCC(=O)NCC2=CC=CC=C2)Br 1 2.449 3 3 -16.0183360369088 1789820 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NN=C(C#N)C(=S)N 1 0.6 5 3 0 -15.6170187264009 1789818 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NN=C(C#N)C(=S)N 1 2.286 5 2 0 -13.6588360049512 1789812 CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C 1 1.909 4 6 0 -12.8835582177557 1789809 C1=CC=C(C(=C1)NC(=O)CCC(=O)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])Cl 1 1.601 4 6 0 -12.6349791316894 1789802 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C 1 1.909 4 6 0 -15.3979845000946 1789797 C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=O)COC2=CC=C(C=C2)Br 1 1.798 3 4 0 -16.1732978913027 1789702 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)S(=O)(=O)N 1 3.325 3 5 0 -5.69018094817575 1789685 C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=O)COC2=C(C=C(C=C2)Br)Br 1 2.546 3 4 0 -14.7506087906559 1789660 CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=O)CC2=CC=CC=C2)C 1 2.214 3 3 -10.8375546899234 1789656 C1=CC=C(C=C1)CC(=O)NNC(=O)CCC(=O)NCC2=CC=CC=C2 1 1.249 3 3 0 -17.0152351118579 1789336 CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNS(=O)(=O)C2=CC=C(C=C2)Cl)C 1 2.547 3 4 0 -10.5043772111402 1789335 CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=CO2)C 1 1.575 3 4 0 -11.5961696556496 1789330 CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=CS2)C 1 2.133 3 3 -13.5198735848777 1789328 CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=O)COC2=CC=CC=C2)C 1 2.015 3 4 0 -11.2773944423672 1789310 CC1=C(C=C(C=C1)NC(=O)CCC(=O)NN=CC2=CC=CS2)C 1 2.945 3 2 -10.3345934749672 1789299 CC1=C(C=C(C=C1)NC(=O)CCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])C 1 2.405 4 5 0 -8.63908930019403 1789285 C1=CC(=C(C=C1Cl)Cl)NC(=O)CCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 2.762 4 5 0 -6.55865492511081 1789267 CC(C)CC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)C 1 3.216 2 2 -12.4756290607135 1789264 CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C(=O)OC 1 3.332 2 3 -16.0075835116629 1789245 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl 1 2.061 3 4 0 -12.0777968156607 1789244 CCCC(=O)NNC(=O)C1=C(OC=C1)C 1 0.579 2 3 0 -12.8815594345532 1789240 C1=CC=C(C(=C1)NC(=O)CCC(=O)NNS(=O)(=O)C2=CC=C(C=C2)Cl)Cl 1 2.239 3 4 0 -11.0719271265924 1789239 C1=CC=C(C(=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=CO2)Cl 1 1.267 3 4 0 -11.4449847961081 1789210 CCOC(=O)CCC(=O)NC1=CC=CC=C1C(=O)N 1 0.372 2 4 0 -16.6975019528901 1789197 CCOC(=O)C(=NNC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C)C#N 1 1.925 6 4 0 -5.66194170141325 1789190 CCOC(=O)C(=NNC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC(=N2)OC)OC)C#N 1 2.405 6 6 0 -12.8510698959465 1789165 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2C[C@@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.235 3 4 0 -11.6239437967283 1789160 CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC(=C(C(=C3)OC)OC)OC 1 5.897 0 6 -9.96553943468855 1789144 COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)CN3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4)OC 1 1.242 4 6 0 -10.8229566218153 1789131 C1CC2=CC=CC3=C2N(C1)C(=C(C3=O)C(=O)NCCCO)O 1 1.228 2 4 0 -6.34586931145303 1789109 CCCNC(=O)C1=C(N2CCCC3=CC=CC(=C32)C1=O)O 1 2.577 2 3 -8.63273760330739 1789108 CCCCNC(=O)C1=C(N2CCCC3=CC=CC(=C32)C1=O)O 1 3.034 2 3 -9.33861890211898 1789074 CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)Cl 1 3.824 3 2 -4.30063980209991 1789058 COCCCNC1=C2C3=CC=CC=C3C(=O)C4=C2C(=CC=C4)NC1=O 1 1.471 2 3 0 -9.56936860929705 1789033 CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OC 1 3.143 3 3 -6.53560470183087 1789028 C1=CC=C(C=C1)C=NNC(=O)CCC(=O)NC2=CC=CC=C2Cl 1 2.683 3 2 -9.08148147217435 1788993 CC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C 1 2.891 3 1 -9.2419170295625 1788990 COC1=CC(=C(C=C1)NC(=O)N2C[C@@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)OC 1 0.997 3 4 0 -11.5445696897708 1788821 CN(C1=CC=CC=C1)C(=S)NC(=O)CC2=CC=CC=C2 1 4.154 2 1 -8.01076898802435 1788756 C1=CC=C(C(=C1)NC(=O)CCCCC(=O)NC2=CC=CC=C2Cl)Cl 1 4.191 2 2 -7.65121994140509 1788711 CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2 1 3.159 3 2 -7.1006768794537 1788577 CC1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC=CO2 1 2.39 3 4 0 -9.80656704268261 1788575 CCCC(=O)NNC(=O)NC1=CC=CC=C1 1 1.238 3 2 0 -11.8770597281952 1788571 C1=CC=C(C=C1)NC(=S)NCCCNC(=S)NC2=CC=CC=C2 1 4.905 4 0 -9.50672518776817 1788490 COC1=CC2=C(C=C1)C(=CN2)CCNC(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 3.654 2 4 -12.8809663948948 1788422 CN1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=CC=C2 1 2.872 3 1 -6.77381385862764 1788404 COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)Cl 1 3.321 3 3 -4.71360601124405 1788397 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3)OC 1 4.041 5 5 0 -23.5006201431269 1788323 CC1=CC=C(S1)C=NN=CC2=CC=C(S2)C 1 3.692 2 0 1.92388210504158 1788295 CC(=CCC/C(=C/C=NNC(=O)C1=CC=CC=C1[N+](=O)[O-])/C)C 1 4.178 3 3 -10.5017014333456 1788133 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)/C=C\3/C(=O)N=C(S3)N 1 2.252 3 5 0 -15.865156926569 1788068 C#CCOC(=O)C1=CC=CC=C1C(=O)O 1 2.507 0 4 -9.29135255163956 1788010 C1=CSC(=C1)C(=O)NCCCNC(=O)C2=CC=CS2 1 1.863 2 2 0 -9.48510898035881 1787995 CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.003 4 5 0 -17.3176046721042 1787984 CC1=CC=C(C=C1)OCC(=O)NCCNC(=O)COC2=CC=C(C=C2)C 1 2.537 2 4 -8.47215773431827 1787981 CCCC(=O)N(CCN(C1=CC=CC=C1)C(=O)CCC)C2=CC=CC=C2 1 4.377 2 2 -8.83341512175131 1787961 COC(=O)NNC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl 1 2.584 2 4 -9.38311703994242 1787933 COC(=O)NNC(=O)COC1=C(C2=CC=CC=C2C=C1)Br 1 2.342 2 4 -5.76226902399258 1787926 COC(=O)NNC(=O)COC1=CC=C(C=C1)Cl 1 1.35 2 4 0 -7.3699537134052 1787922 COC(=O)NNC(=O)/C=C/C1=CC=CC=C1 1 1.318 2 3 0 -6.34883042416976 1787855 CC1=C(C=C(C=C1)NCCCCO)C 1 2.714 1 1 -0.339589224735451 1787774 CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.759 3 4 0 -12.3385338945254 1787773 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NCC2CCC(CC2)C(=O)O 1 2.987 2 5 0 -25.6406553452277 1787770 CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NN=CC2=CN=CC=C2 1 1.841 4 2 0 -10.5060140951371 1787664 C1=CSC(=C1)C(=O)NNC(=O)CCC(=O)O 1 5.e-003 2 4 0 -15.0189816243494 1787636 C1=CC=C(C=C1)NC(=O)CCC(=O)NNS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.574 3 4 0 -10.4131165348734 1787632 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NNC(=O)CCC(=O)NC3=CC=CC=C3 1 2.737 3 3 -15.7365115200129 1787631 C1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)COC2=CC=CC=C2 1 1.042 3 4 0 -11.4791652281487 1787629 C1=CC=C(C=C1)CCC(=O)NNC(=O)CCC(=O)NC2=CC=CC=C2 1 1.698 3 3 0 -11.7023624191778 1787628 C1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2Cl 1 1.871 3 3 0 -12.9427216315969 1787626 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCC(=O)NC2=CC=CC=C2 1 1.396 3 4 0 -12.2351152254602 1787592 CC1=CC=CC=C1C(=O)NNC(=O)CCC(=O)NC2=C(C(=CC=C2)Cl)C 1 2.844 3 3 -14.0373296939025 1787588 CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2 1 2.358 3 3 -10.872512684524 1787586 COC(=O)CCC(=O)NNC(=O)CC1=CC=CC=C1 1 0.312 2 4 0 -16.2215666475356 1787580 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=C(C=C2)OC)C 1 2.163 3 4 0 -14.4107172117467 1787579 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=O)CCC2=CC=CC=C2)C 1 2.67 3 3 -14.0150179157352 1787552 CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=O)CCC(=O)OC 1 0.764 3 5 0 -14.768837735498 1787549 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2)C 1 2.179 3 3 -14.7933985701119 1787518 C1=CC(=C(C=C1Cl)Cl)OCC(=O)NNC(=O)CCC(=O)O 1 1.216 2 5 0 -10.8799223839234 1787452 CCOC(=O)CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] 1 1.264 2 5 0 -15.3969386481479 1787438 C1=CC=C(C=C1)CCNC(=O)CCCC(=O)NCCC2=CC=CC=C2 1 3.063 2 2 -13.7916606963655 1787421 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NCCNC(=O)COC3=CC4=CC=CC=C4C=C3 1 3.382 2 4 -5.92563687609047 1787417 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)Br 1 3.305 1 4 -8.85039637172748 1787358 COC(=O)CCC(=O)NNC(=O)C1=C(C=C(C=C1)Cl)Cl 1 1.607 2 4 0 -13.9040435996665 1787278 COC(=O)CCC(=O)NNC(=O)C1=CC(=CC=C1)Cl 1 0.942 2 4 0 -14.3944232337311 1787277 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=O)CCC(=O)O 1 1.57 2 4 0 -9.81953635773748 1787267 CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O 1 3.166 1 4 -9.46114255689318 1786954 COC(=O)CCC(=O)NNC(=O)C1=CC(=CC=C1)Br 1 1.026 2 4 0 -16.425466363353 1786550 COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCC(=O)NCC4CCC(CC4)C(=O)O)OC2=O 1 3.35 1 7 0 -19.77694726592 1786328 C1CC(CCC1CNC(=O)COC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=CC=C4)C(=O)O 1 3.795 1 6 0 -12.8734750511089 1785502 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)OC 1 2.358 3 7 0 -18.8564982693128 1785228 CC1=CC(N(C2=CC3=C(C=C12)OCO3)C(=O)C4=CC=C(C=C4)OC)(C)C 1 3.822 1 4 -5.03090983871883 1785096 CC1(CCC2=C3C(=C(C=C2O1)OC)C(=CC(=O)O3)CC(=O)O)C 1 2.605 0 6 -9.54477076944493 1784749 CC1=C(C(=O)OC2=CC3=C(CCC(O3)(C)C)C=C12)CC(=O)NCC(=O)O 1 2.127 1 6 0 -17.2003628042867 1784691 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O)C 1 3.651 2 6 0 -16.0760877598877 1784645 CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O 1 4.384 1 6 0 -18.832168982499 1784592 CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=C(C=C4)Br)CCC(=O)O 1 4.997 0 5 -5.9835679715715 1784434 CC(=O)C1=CC=C(C=C1)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 0.77 3 3 0 -10.9162194189679 1784402 CCOCCCN1CC(=O)N2[C@H](C1=O)CC3=C(C2(C)C)NC4=CC=CC=C34 1 1.772 3 3 0 -10.6359113165415 1784349 CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC(=CC=C4)OC)CCC(=O)O 1 4.718 0 6 -1.44155171408039 1784313 CCCCN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4 1 5.394 2 0 -0.917424778858558 1784218 CC1=C(C(=O)OC2=CC3=C(CCC(O3)(C)C)C=C12)CC(=O)O 1 3.067 0 5 -9.59238082849009 1784167 COCCNC1=NC=NC2=C1C=NN2CC3=CC=C(C=C3)Cl 1 2.092 5 1 -2.24745480997754 1784164 CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)NCCCN4CCOCC4 1 1.933 6 1 0 -2.69234810482661 1784152 CCN1C(=NNC1=S)CCCCC2=NNC(=S)N2CC 1 2.535 6 0 -5.07400369888186 1784120 C=CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)CCCOC3=C(C=C(C=C3)Cl)Cl 1 4.392 5 2 0 -17.7969274724006 1783558 C1CCC(=O)/C(=C\NC2=CC=CC(=C2)C(F)(F)F)/C1 1 3.509 1 1 -0.823727369879603 1783548 CC(C)(C)C(=O)/C=C/NC1=CC=C(C=C1)OC2=CC(=CC=C2)OC 1 4.459 1 3 -2.16863117908941 1783486 COCCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)C3=CC=C(C=C3)Cl 1 3.561 4 3 0 -14.3555901410339 1783163 CC1=NN=C(N1C2=CC=C(C=C2)Cl)SCC=C 1 3.601 3 0 -6.43019799617412 1782951 CCN1C(=CC(=C1C)/C=C\2/C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC(=C3)C)C 1 2.004 4 3 0 -9.88038147811092 1782877 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1777042 CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)C(=O)O 1 3.095 1 6 0 -10.0755504182898 1777011 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3 1 6.261 3 1 0.194264433814469 1776959 COC1=CC=C(C=C1)CCCC(=O)NCC(=O)NN=CC2=C(C=CC(=C2)Cl)OC 1 3.321 3 4 0 -12.2727914569956 1776853 CC1=CC=CC=C1OCC(=O)NCC(=O)NN=CC2=CC=C(O2)Br 1 2.027 3 4 0 -14.2666832355442 1776846 CC1=CC=CC=C1OCC(=O)NCC(=O)NN=C/C=C/C2=CC=CC=C2 1 2.424 3 3 -7.5324099685149 1776828 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NCC(=O)NN=CC3=CC=CO3 1 1.882 3 4 0 -9.9556743958893 1776815 CC1=CC=CC=C1OCC(=O)NCC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 1.959 4 5 0 -14.4215949764769 1776728 COC1=CC(=CC(=C1)C(=O)NN(CCC#N)C2=NS(=O)(=O)C3=CC=CC=C32)OC 1 1.605 4 5 0 -14.2850605398416 1776723 CC1=CC(=CC=C1)OCCNC(=S)NC(=O)C2=CC(=CN=C2)Br 1 3.627 3 2 -8.61532849634644 1776706 COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)OC(=O)C3=CC=CS3 1 3.897 1 6 0 -18.937760014651 1776642 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O 1 2.996 2 6 0 -10.4681606974035 1776583 CC1(C2=C(C[C@@H]3N1C(=O)N(C3=O)CC4=CC=C(C=C4)OC)C5=CC=CC=C5N2)C 1 3.779 3 3 -3.53695886496535 1776474 COC1=CC=C(C=C1)CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O 1 2.751 3 4 0 -12.8995582362431 1776462 CC1=CC(=O)OC2=C1C=C(C=C2)OCC(=O)NC3=CC=CC(=C3)C(=O)C 1 2.706 1 5 -10.751231855689 1776382 CCCCOCCCN1CC(=O)N2[C@H](C1=O)CC3=C(C2(C)C)NC4=CC=CC=C34 1 2.752 3 3 -9.44644515632536 1776228 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)N3CCC(CC3)C(=O)O 1 2.183 1 6 0 -13.7890544381748 1776176 CCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)C(=O)O 1 2.639 1 6 0 -10.3544523764092 1776108 C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)NC4=CC=C(C=C4)Br 1 1.779 3 2 0 -6.83619794268583 1776080 CC1=CC(=C(N1C2=CC=CC=C2F)C)/C=C\3/C(=O)N(C(=NC)S3)C 1 3.781 3 1 -5.94105457811179 1776024 C1CC(CCC1CNC(=O)COC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl)C(=O)O 1 4.459 1 6 0 -15.9000859143766 1776013 CCN=C1N(C(=O)/C(=C/C2=C(C=CC(=C2)Br)OCC(=O)OCC)/S1)CC 1 3.894 2 4 -9.12892480493845 1776011 CCCCC1(OC(=O)C(=CC2=CC=C(C=C2)N(C)C)C(=O)O1)C 1 3.614 1 4 -4.69847952658715 1775915 CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O 1 3.632 1 6 0 -11.4321162678334 1775913 C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)NCCCO 1 1.332 3 2 0 -3.20581709497115 1775736 C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC(=O)N[C@@H](CSCC4=CC=CC=C4)C(=O)O 1 3.734 1 6 0 -24.8425228342421 1775488 CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC4=CC=CC=C4)O 1 3.718 2 3 0.245610717368891 1775381 CC1=CC(=CC(=C1)NCC2=CC(=O)OC3=CC(=C(C=C23)O)C)C 1 4.468 1 3 -1.40129638227188 1775377 CC(C)C1=CC=C(C=C1)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 2.225 3 2 -6.91807719151957 1775366 CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)N4CCC(CC4)C(=O)O 1 3.17 1 6 0 -16.7461538645396 1775323 C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4 1 2.7 1 6 0 -12.8308822711489 1775242 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OCC(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O 1 4.171 1 8 0 -5.92279989766681 1774973 CC1=CC(=C2C(=C1)C(=CC(=O)O2)CN3CCCCC3)C 1 3.823 1 2 -1.64362985050935 1774938 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O 1 4.079 1 6 0 -13.5416605473209 1774886 CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)N4CCC(CC4)C(=O)O 1 2.787 1 6 0 -10.3798363505722 1774756 C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC(=CC=C3)OCC(=O)O)/SC2=S 1 4.095 1 4 -10.6943188221284 1774627 CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)C(=O)O 1 2.153 1 6 0 -13.6894524358465 1774557 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O)C 1 3.592 1 6 0 -13.2929802941232 1774469 C1=CC(=C(C=C1Cl)Cl)COC2=C(C=C(C=C2)Br)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O 1 6.173 1 4 -3.6230884002797 1774432 CC(=O)C1=CC(=CC=C1)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 0.77 3 3 0 -9.77250081129233 1774431 CC\1=C(C2=C(/C1=C\C3=CC=C(O3)C4=CC=CC=C4C(=O)O)C(=C(C(=N2)N)C#N)C)C#N 1 4.488 4 3 0 -1.5355432458756 1774193 CC(C)OC(=O)CC(=O)CSC1=NC2=C(CCCCCC2)C=C1C#N 1 4.416 2 3 -19.9135258915919 1774139 CC(C)(C)NC(=O)CSC(=NC1=CC=C(C=C1)F)NC#N 1 2.541 4 1 -8.91299515639816 1774136 CC(C)(C)NC(=O)CSC(=NC1=CC(=CC=C1)F)NC#N 1 2.541 4 1 -8.55164299912589 1774128 CC(C)(C)NC(=O)CSC(=NC1=CC=CC=C1F)NC#N 1 2.541 4 1 -10.6595940058535 1774065 CCCCN1CCC2=C(C1=O)NC3=C2C=CC=C3C 1 3.718 2 1 -4.06529523117754 1773874 C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC3=CC(=CC=C3)Cl 1 5.863 2 0 -10.6151199156494 1773765 CC1=C(C=C2C(=CC(=O)OC2=C1)CNC3=CC=CC=C3F)O 1 3.701 1 3 -1.04691078528643 1773716 CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)N4CCC(CC4)C(=O)N 1 2.16 2 5 0 -8.43739546209899 1773629 COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=C(C4=C(S3)CCC4)C#N)OC 1 4.782 4 3 0 -25.1029428916139 1773611 COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=C(C4=C(S3)CCC4)C#N 1 4.798 4 2 -21.9666323334229 1773499 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N)C#N)C 1 5.812 4 3 0 -20.6314092981145 1773461 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCCCC3)C=C2C#N)C#N)C 1 4.899 4 3 0 -30.0845241587979 1773456 C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)N4CCC(CC4)C(=O)O)OC2=O 1 2.684 1 6 0 -17.423984113449 1773453 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCC3)C=C2C#N)C#N)C 1 3.986 4 3 0 -29.4212455237452 1773387 CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3CCC(CC3)C(=O)O 1 4.131 1 6 0 -21.6731466075199 1773316 CC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CS2)C#N 1 2.364 4 1 -13.1308123560402 1773311 CCN(CC)C(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CS2)C#N 1 2.745 5 1 -20.1548466030226 1773219 COC1=CC=C(C=C1)CNC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CS4)C#N 1 5.684 3 2 -18.0634513873807 1773030 CCCSC1=NN=C(S1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CS4)N 1 4.4 5 1 -17.9685962280896 1772898 C=CCSC1=NC=C(C(=N1)N)C#N 1 1.402 4 0 0 -6.06821048002 1772756 CC(C)NC(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=CS3)C4=CC=CS4)N 1 4.591 3 1 -12.7810097787282 1772736 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C)C)C#N)C#N)C 1 3.691 4 3 0 -25.743329963247 1772618 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OCC(=O)NCC4CCC(CC4)C(=O)O 1 4.265 1 7 0 -12.7521238242575 1772539 CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)C(=O)O 1 2.183 1 6 0 -11.07114058306 1772533 CC(C)OCCCN(CC1=CC=NC=C1)C(=O)NC2=CC(=CC=C2)Cl 1 2.907 3 2 -4.95575070638968 1772487 CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OCC(=O)N4CCC(CC4)C(=O)O 1 3.17 1 6 0 -13.6368968982377 1772458 CCOC(=O)C1=CC(=CC=C1)OS(=O)(=O)CC2=CC=CC=C2 1 3.176 0 5 -12.1775845496655 1772447 COC1=NC(=NC(=N1)OC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC 1 2.824 5 7 0 -6.69459782865439 1772445 C1=CC(=CC=C1OS(=O)(=O)CC2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])Cl 1 3.183 2 8 0 -0.834505687285646 1772438 C(CCC1=NNN=N1)CCC2=NNN=N2 1 0.688 8 0 0 -3.43121167804372 1772388 CCCCNC(=O)C1(CCOCC1)C2=CC=C(C=C2)OC 1 2.492 1 3 -13.8886789872517 1772343 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)C(=O)C 1 2.154 4 4 0 -9.89112999868559 1772335 CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCCCC3 1 3.336 1 2 -3.00024173447231 1772308 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OC 1 1.94 1 6 0 -15.4190849143691 1772300 CC(C)C1=CC2=C(C=C1)OC(=O)C=C2CN3CCCCC3 1 4.045 1 2 -2.19829335145977 1772270 CCCCCCCCC1=NC(=S)NN1 1 3.635 3 0 -3.90624216981165 1772026 CCNC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=C(C=C3)Br 1 2.86 2 4 -18.1533944333177 1772023 CNC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=C(C=C3)Br 1 2.511 2 4 -17.4337771040027 1771979 C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NC3=CC=CC(=C3)C(=O)O)\NC(=O)C4=CC(=CC=C4)Br 1 3.717 2 6 0 -17.7324016954393 1771894 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3CCC(CC3)C(=O)O 1 3.675 1 6 0 -19.9833749694355 1771892 C1=CC=C(C=C1)/C=C(/C(=O)NC2=CC=CC(=C2)C(=O)O)\NC(=O)C3=CC(=CC=C3)Br 1 3.949 2 4 -16.1736776178085 1771886 CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CCCCC3 1 3.793 1 2 -2.8553471602197 1771884 CC(=O)OC1=CC=C(C=C1)/C=C(/C(=O)NC2=CC=C(C=C2)C(=O)O)\NC(=O)C3=CC(=CC=C3)Br 1 3.717 2 6 0 -17.9923600394308 1771880 C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC(=O)N4CCC(CC4)C(=O)N 1 1.6 2 5 0 -15.1727331040911 1771879 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(/C(=O)NC2=CC=CC(=C2)C(=O)O)\NC(=O)C3=CC(=CC=C3)Br 1 3.844 3 6 0 -18.8189951097838 1771849 C1COCCN1C(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC(=CC=C3)Br 1 2.636 2 3 -18.9421176398342 1771846 C1COCCN1C(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC(=CC=C3)Br 1 2.531 3 5 0 -21.5874351318095 1771833 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3CCC(CC3)C(=O)O)CC4=CC=CC=C4 1 4.697 1 6 0 -21.9378984796068 1771756 COC1=CC=C(C=C1)/C=C(/C(=O)NC2=CC=CC=C2C(=O)O)\NC(=O)C3=CC=C(C=C3)OC 1 3.168 2 6 0 -19.1122158514834 1771752 COC1=CC=C(C=C1)/C=C(/C(=O)N2CCCCC2)\NC(=O)C3=CC=C(C=C3)OC 1 3.085 2 4 -18.7856386123339 1771402 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)C(=O)O)C 1 2.143 1 6 0 -12.9320046093498 1771275 CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)C(=O)N 1 2.924 2 5 0 -9.82288116790096 1771251 CCCN1C(=O)/C(=C/C2=C(C=C(C=C2)N3CCOCC3)C)/SC1=O 1 3.356 2 3 -2.19600243648833 1771169 COC1=CC=CC=C1CNC(=O)CCC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 0.449 3 4 0 -22.4291545180879 1771090 CCN1C(=CC(=C1C)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC(=C(C=C3)C)C)C 1 3.696 3 3 -9.82402307801455 1771029 CCN1C(=O)/C(=C/C2=C(C=C(C=C2)N3CCOCC3)C)/SC1=O 1 2.833 2 3 -1.20863103368362 1770787 C1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=C(O3)Br 1 2.975 3 5 0 -20.4833972795456 1770750 C1COCCN1C(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=C(O3)Br 1 1.851 2 4 0 -20.1292397590483 1770747 C1CCN(CC1)C(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=C(O3)Br 1 3.081 2 3 -18.5609433092727 1770699 C1=COC(=C1)/C=C(\C(=O)NCCCO)/NC(=O)C2=CC=C(O2)Br 1 0.876 2 5 0 -17.307592511316 1770698 C1=COC(=C1)/C=C(/C(=O)NCCCO)\NC(=O)C2=CC=C(O2)Br 1 0.876 2 5 0 -17.307592511316 1770662 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O 1 1.162 2 7 0 -17.840110374465 1770658 C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NC3=CC=CC(=C3)C(=O)O)/NC(=O)C4=CC=CC=C4 1 2.969 2 6 0 -18.5037087655951 1770612 COC1=CC=CC=C1C(=O)N/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)NC4=CC=C(C=C4)C(=O)O 1 2.952 2 7 0 -19.6753421881527 1770572 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O)C 1 4.079 1 6 0 -11.1421847947382 1770457 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O 1 4.058 1 6 0 -13.7715261625005 1770433 CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)N4CCC(CC4)C(=O)N 1 2.543 2 5 0 -14.8037129760664 1770268 CC(C)N1C=C(C2=CC=CC=C21)/C=C\3/C(=O)N(C(=O)N3)C4=CC(=CC=C4)Cl 1 4.409 3 2 0.829052118121979 1770267 CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)NCC4CCC(CC4)C(=O)O 1 3.78 1 6 0 -19.9009112690615 1770169 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)C(=O)N 1 1.069 2 5 0 -10.9223425699264 1770167 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3C4=C(CCCC4=O)N(C5=C3C(=O)CCC5)CCC(=O)O)Cl 1 4.898 1 7 0 -29.8554406810559 1770084 CC1=CC=CC=C1NC(=O)CN2C(=O)/C(=C/C3=C(C=C(C=C3)N4CCOCC4)C)/NC2=O 1 2.401 4 4 0 -10.8744170871374 1770051 COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)NCC3=CC=CC=C3 1 2.993 3 3 -13.8115398096171 1770002 CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)/C=C/C2=C(N(N=C2)C)C 1 3.374 3 5 0 -16.4697307397764 1769971 C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)NC4=CC=C(C=C4)C(=O)O 1 0.66 3 4 0 -9.16686460491129 1769963 CN1C=C(C(=N1)C(=O)NC2=C(C(=C(C(=C2F)F)F)F)F)Br 1 3.468 3 1 -3.29414164255935 1769903 C1=CC=C(C=C1)CCCNC(=O)NC2=CC(=CC=C2)Cl 1 3.971 2 1 -5.01126224255847 1769793 C1CCC(C1)NC(=O)CCCCC(=O)NC2CCCC2 1 2.513 2 2 -10.6891839447509 1769743 CC1=CC=C(O1)C(=O)NCCNC(=O)C2=CC=C(O2)C 1 0.976 2 4 0 -5.58295727345023 1769695 C1=CC=C(C(=C1)C(=O)N)NC(=O)C2=NC(=CC=C2)C(=O)NC3=CC=CC=C3C(=O)N 1 1.11 5 4 0 -10.9368829664727 1769642 CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC(=O)N[C@@H](C4=CC=CC=C4)C(=O)O 1 3.607 1 6 0 -19.5913098348179 1769639 CN(CCC1=CC2=C(C(=C1C=C3C(=O)NC(=O)NC3=O)OC)OCO2)C(=O)C4=CC=CC=C4 1 1.934 3 7 0 -8.55675281694642 1769607 COC1=CC2=C(C=C1)NC=C2C(=O)C(=O)N3CCCCC3 1 2.324 2 3 -4.42557852367835 1769592 C=CCNC(=O)C1=C(C=CC=C1Cl)Cl 1 2.983 1 1 -10.8916516608829 1769580 C1=CC(=CC(=C1)Cl)CCNC(=O)CCC(=O)O 1 1.788 1 3 0 -11.4882573257589 1769560 CC1(C2=C(C[C@@H]3N1C(=O)CN(C3=O)NC(=O)OC(C)(C)C)C4=CC=CC=C4N2)C 1 2.236 4 4 0 -10.0996556112987 1769556 CN1CCN(CC1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 0.498 5 5 0 -6.09623750248951 1769548 CCC(CC)C(=O)NCCCCC1=CC=CC=C1 1 4.232 1 1 -9.7216400576843 1769545 C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)OC2=O 1 3.898 1 6 0 -19.5854331484265 1769531 CC1(C2=C(C[C@@H]3N1C(=O)CN(C3=O)CCCN(C)C)C4=CC=CC=C4N2)C 1 1.693 4 2 0 -6.80493312358852 1769520 CCCCCCN1CC(=O)N2[C@H](C1=O)CC3=C(C2(C)C)NC4=CC=CC=C34 1 3.733 3 2 -8.06024775484589 1769517 CC1=CC=CC=C1C(=O)NCCCCC2=CC=CC=C2 1 4.341 1 1 -11.7625720283281 1769476 CN1C=C(C(=N1)C(=O)NN=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)Cl 1 3.561 4 4 0 -14.8423933080709 1769471 CCCCC(=O)NCCC1=CC=C(C=C1)OC 1 2.841 1 2 -12.7008640457773 1769436 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)C(=O)O)CC4=CC=CC=C4 1 3.632 1 6 0 -15.3650739878984 1769391 CC1=CC=C(C=C1)CNC(=O)CCSCCC(=O)NCC2=CC=C(C=C2)C 1 3.55 2 2 -12.9454614865335 1769385 C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)N4CCC(CC4)C(=O)N)OC2=O 1 2.056 2 5 0 -15.4815432249758 1769368 CCOC1=CC=CC=C1C(=O)NCCNC(=O)C2=CC=CC=C2OCC 1 2.559 2 4 -9.63029270687569 1769298 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)O 1 4.136 1 6 0 -20.9080337042253 1769284 COC1=CC=CC(=C1)NC(=S)NNC(=O)CCN2C=C(C=N2)[N+](=O)[O-] 1 1.902 6 4 0 -15.5311927487868 1769250 CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NCC3CCC(CC3)C(=O)O 1 4.617 1 6 0 -18.3381465480826 1769247 COC1=CC=C(C=C1)NC(=S)NNC(=O)CCN2C=C(C=N2)[N+](=O)[O-] 1 1.902 6 4 0 -15.8878981434744 1769200 C1=CC(=C(C=C1Cl)OCC2=CC=C(O2)C(=O)NC3=NN(C=C3)CC4=C(C(=CC(=C4F)F)F)F)Cl 1 6.578 3 3 -8.60233421588835 1769154 CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NCC3CCC(CC3)C(=O)O 1 4.617 1 6 0 -21.2621686525863 1769113 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(=O)NCC4CCC(CC4)C(=O)O 1 4.281 1 6 0 -12.8847169800636 1769093 C1CN(CCC1C(=O)N)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 0.623 2 5 0 -10.5274656979022 1769070 CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)C(=O)N 1 2.468 2 5 0 -8.13310952981655 1769017 C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)SC(=N2)SCC3=CC=CC=C3Cl 1 6.57 1 1 -11.6955839380116 1769004 C1=CC=C(C(=C1)CSC2=N/C(=C\C3=CC=C(C=C3)C(=O)O)/C(=O)S2)Cl 1 5.286 1 3 -14.054093768461 1768893 C1CN(CCC1C(=O)N)C(=O)COC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3 1 1.674 2 5 0 -11.4578797873059 1768802 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)C(=O)O)CC4=CC=CC=C4 1 4.118 1 6 0 -13.2142784885133 1768699 CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OCC(=O)N4CCC(CC4)C(=O)N 1 2.543 2 5 0 -11.6944560097645 1768696 CCSC1=N/C(=C\C2=CC(=CC=C2)F)/C(=O)S1 1 3.962 1 1 -6.8839138517077 1768627 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)F)S2)C4=CC=C(C=C4)F)OCC(=O)O 1 5.77 2 5 0 -12.8541957021698 1768614 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)NCC3CCC(CC3)C(=O)O 1 3.695 1 6 0 -19.828943271274 1768585 CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O 1 4.295 2 6 0 -13.6923324981225 1768583 CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N3CCC(CC3)C(=O)O 1 3.095 1 6 0 -12.9995725227934 1768567 CCSC1=N/C(=C\C2=CC=C(C=C2)C(=O)O)/C(=O)S1 1 3.386 1 3 -11.7130530819551 1768498 CC1=C(C=C2C(=CC(=O)OC2=C1)CNC3=CC(=CC=C3)OC)O 1 3.479 1 4 -1.19433957841126 1768462 CCC1=CC=CC=C1NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.973 3 2 0 -9.09619305911358 1768451 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)C(=O)N 1 1.982 2 5 0 -11.4681095892538 1768173 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)C(=O)N)CC4=CC=CC=C4 1 3.004 2 5 0 -13.4226330994251 1768158 CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC(=O)NCC4CCC(CC4)C(=O)O 1 3.78 1 6 0 -23.0101682353634 1768121 CCC(=O)NC1=CC(=CC(=C1)SCCO)[N+](=O)[O-] 1 1.514 2 4 0 -7.6940737902958 1768116 CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NCC 1 5.214 4 2 -10.2275097767853 1768106 CCCC1=NC2=CC=CC=C2C(=C1)C(=O)NNC(=S)NCC 1 3.36 4 1 -11.3998931200174 1768105 CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CCC(=O)N4CCC(CC4)(C5=CC=CC=C5)C(=O)O 1 5.952 1 6 0 -10.6515044943305 1768093 CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N3CCC(CC3)C(=O)N 1 2.924 2 5 0 -12.7469032724046 1768083 CCOCCCNC(=S)NNC(=O)CCN1C(=C(C(=N1)C)Br)C 1 1.626 5 2 0 -21.96425170796 1768080 CCCCN1C(=NNC1=S)C2=C(C=CS2)C 1 3.87 3 0 -6.50299629483595 1768069 CCN1C(=O)/C(=C/C2=C(N(N=C2)C)C)/SC1=S 1 2.191 3 1 -5.04724869958662 1768067 CC1=C(SC=C1C(=O)NNC(=S)NCC(C)C)C 1 2.905 3 1 -9.58191490770192 1768056 CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=C(C=NN3C)[N+](=O)[O-] 1 3.139 6 3 0 -8.16216035171634 1768039 CCCCN1C(=NNC1=S)C2=C(OC=C2)C 1 2.679 3 1 -4.05021366069943 1768027 CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)C(=O)N 1 1.525 2 5 0 -11.7470115473732 1767997 CCCCN1C(=NNC1=S)C2=CSC3=CC=CC=C32 1 4.292 3 0 -3.74611952392973 1767991 CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)N(C)C)C 1 3.135 4 3 0 -14.2806229772098 1767976 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)N3CCC(CC3)C(=O)N 1 1.556 2 5 0 -11.8466135497015 1767944 CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(C=CC(=C3)C)C 1 4.874 4 1 -9.47103878280894 1767917 CC1=C(C(=NN1CCC(=O)NNC(=S)NCC(C)C)C)Br 1 2.537 5 1 -16.4911447939782 1767909 C1CN(CCC1C(=O)O)C(=O)COC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3 1 2.301 1 6 0 -13.4003206757792 1767902 CCN1C(=C(C=N1)Br)C(=O)NC2=C(N(N=C2C)CC3=C(C(=C(C(=C3F)F)F)F)F)C 1 4.342 5 1 -5.58724839497106 1767887 CCCCN1C(=NNC1=S)C2=CSC(=C2)CCC 1 4.361 3 0 -4.23732458387842 1767864 CCCCN1C(=NNC1=S)C2=CC=CO2 1 2.825 3 1 -2.8255315024306 1767845 CC(C)CNC(=S)NNC(=O)C1=CSC2=C1CCCC2 1 3.656 3 1 -12.0574926712734 1767843 CCC1=C(SC=C1C(=O)NNC(=S)NCC=C)C 1 2.786 3 1 -13.3143361709952 1767835 CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=CC=C(C=C3)COC4=CC=CC=C4Cl 1 6.535 3 2 -6.62930803305831 1767806 C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=O)NC3=NN(C=C3)CC4=C(C(=CC(=C4F)F)F)F)Cl 1 6.44 3 2 -9.2141293740274 1767788 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)N3CCC(CC3)C(=O)N 1 2.002 2 5 0 -11.3136778910923 1767776 CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)C 1 4.388 4 1 -7.03259125725267 1767752 C/C(=C\C1=CC=CO1)/C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.867 4 2 -6.33307432809501 1767747 CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 3.885 4 2 -10.6525675440646 1767737 CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)CC(C)C 1 3.612 4 1 -11.7880483425397 1767736 CCC1=CC(=CS1)C(=O)NNC(=S)NCC=C 1 2.51 3 1 -14.9334643220371 1767711 CC1=CC(=NO1)C(=O)NNC(=S)NCC(C)C 1 1.639 4 2 0 -15.2833927884426 1767702 CC1=NC2=CC=CC=C2C(=C1)C(=O)NNC(=S)NCC=C 1 2.505 4 1 -13.5619785943341 1767689 CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)C(=O)N 1 2.438 2 5 0 -13.1578812273382 1767684 CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3C 1 4.388 4 1 -9.98759047054876 1767681 CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)OCC 1 4.234 4 2 -9.49090872286722 1767675 CCN1C(=O)/C(=C/C2=C(NN=C2)C3=CC=C(C=C3)C)/SC1=S 1 4.136 3 1 -4.64555520135208 1767615 C=CCNC(=S)NNC(=O)C1=CC=C(O1)Br 1 1.999 3 2 0 -13.4684404790978 1767613 CCCCN1C(=NNC1=S)C2=CSC(=C2)C(C)C 1 4.367 3 0 -4.49394194690613 1767610 CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OCC 1 4.234 4 2 -11.2004913925654 1767600 CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=C(C(=NN3C)C)Br 1 4.275 5 1 -5.45924939945966 1767587 CCCCNC1=NN=C(S1)CCN2C(=C(C(=N2)C)Br)C 1 2.82 5 0 -9.24421867330359 1767552 C1=CC=C2C(=C1)C3=C(C=C(C=C3)OCC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O)OC2=O 1 3.808 2 6 0 -16.7128168233294 1767542 CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NCC 1 4.757 4 2 -9.035919938854 1767537 C=CCNC(=O)CSC1=CC(=CC(=C1)[N+](=O)[O-])S(=O)(=O)CC2=CC=CC=C2 1 3.052 2 5 0 -22.5414223885843 1767496 CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3 1 2.995 4 1 -14.3596389931336 1767486 C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=O)NC3=NN(C=C3)CC4=C(C(=C(C(=C4F)F)F)F)F)Cl 1 6.646 3 2 -9.63122198385383 1767445 CCN1C(=O)/C(=C/C2=CN(N=C2C)C)/SC1=S 1 2.328 3 1 -3.86047103823201 1767443 CC(C)CNC(=S)NNC(=O)C1=CC=CO1 1 2.006 3 2 -9.77817582441658 1767441 C1=CC(=C(C=C1Cl)Cl)OCC2=CC=C(O2)C(=O)NC3=NN(C=C3)CC4=C(C(=CC(=C4F)F)F)F 1 6.578 3 3 -7.77352634043084 1767414 CC(C)CNC(=S)NNC(=O)C1=CSC2=CC=CC=C21 1 3.473 3 1 -9.61578172287054 1767407 C1=CN(N=C1NC(=O)CN2C=C(C=N2)[N+](=O)[O-])CC3=C(C(=C(C(=C3F)F)F)F)F 1 2.81 6 3 0 -13.91784748502 1767396 CCN1C(=O)/C(=C/C2=C(NN=C2)C3=CC=CC=C3)/SC1=S 1 3.649 3 1 -5.12007161766728 1767379 CCCCN1C(=NNC1=S)CCN2C(=C(C(=N2)C)Br)C 1 3.357 5 0 -7.61549564214872 1767375 CCN1C(=O)/C(=C/C2=C(N(N=C2C)C)C)/SC1=S 1 2.474 3 1 -4.28035777468894 1767363 CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)OC 1 3.885 4 2 -8.610105356402 1767360 CC1=C(C=CO1)C(=O)NNC(=S)NCC(C)C 1 1.86 3 2 0 -9.76977480400871 1767349 CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C 1 2.237 4 1 -10.6192574465508 1767302 CCCCN1C(=NNC1=S)C2=CSC(=C2)CC 1 3.905 3 0 -5.7368095020882 1767297 CCC1=C(SC=C1C(=O)NNC(=S)NCC(C)C)C 1 3.361 3 1 -10.9372815007626 1767293 CCNC(=S)NNC(=O)C1=CC=C(C=C1)OC(F)F 1 2.574 3 2 -7.10872058707468 1767291 CCNC(=S)NNC(=O)C1=CC=CC=C1OC(F)F 1 2.574 3 2 -9.94777048128168 1767290 CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=CS2)C(=O)N(C)C 1 2.232 4 2 -14.0768587715178 1767262 CCNC(=S)NNC(=O)C1=CSC2=CC=CC=C21 1 2.63 3 1 -9.05011524531983 1767260 CCCCNC(=S)NNC(=O)C1=NN(C=C1Cl)C 1 2.491 5 1 -11.3321488551055 1767190 CC1=NN(C(=C1Cl)C(=O)NNC(=S)NCC(C)C)C 1 2.499 5 1 -9.35216791809578 1767171 CCNC(=S)NNC(=O)C1=CSC(=C1)C(C)C 1 2.705 3 1 -10.5295763158647 1767168 CCNC(=S)NNC(=O)C1=NN(C(=C1Cl)C)C 1 1.656 5 1 0 -7.68974105456432 1767146 CC1=CN(N=C1)CCC(=O)NNC(=S)NCC(C)C 1 1.847 5 1 0 -15.7070324606358 1767105 CCOC1=CC=CC=C1NC(=O)NCCC2=CNC3=CC=CC=C32 1 3.476 3 2 -14.7131485116443 1766662 C1CCC2=NC3=CC(=NN3C(=C2C1)C(F)(F)F)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl 1 5.814 4 1 -7.4504630853102 1766536 CCNC(=S)NNC(=O)C1=C(C(=NN1C)C)Cl 1 1.656 5 1 0 -8.78650144054506 1766431 CCCCNC(=S)NNC(=O)C1=NN(C(=C1Cl)C)C 1 2.636 5 1 -10.8715640281437 1766092 CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)NC(=O)C3=CC=C(O3)COC4=C(C=CC(=C4)Cl)Cl 1 6.974 3 3 -6.84512419511142 1766046 CC1=NN(C=C1/C=C\2/C(=O)/C(=C/C3=CN(N=C3C)C)/CCC2)C 1 3.002 4 1 2.13246729541397 1766037 CCN1N=CC(=C1C)/C=C\2/C(=O)/C(=C/C3=C(N(N=C3)CC)C)/CCC2 1 3.425 4 1 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C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)NN=CC4=CC=C(O4)[N+](=O)[O-] 1 4.979 4 4 0 -2.505871163896 1758310 C1=CC(=CN=C1)C(=O)NC(=S)NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.851 4 2 -6.46797901229278 1758232 CC1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)OC(C)C)C4=CC=CC=C4 1 4.676 1 5 -17.4077063387186 1758215 C1=CC=NC(=C1)C=NNC(=O)CCCC(=O)NN=CC2=CC=CC=N2 1 1.099 6 2 0 -8.11221750472244 1758126 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 3.09 5 4 0 -11.9908891589909 1758125 CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CC(=O)NCCCC(=O)O)C)C 1 2.535 1 6 0 -20.0129992451356 1758037 CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2C)CC(=O)NCCCCCC(=O)O 1 4.685 1 6 0 -20.6307216242544 1758013 CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C 1 2.26 5 6 0 -18.6232868783908 1757944 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.064 5 5 0 -10.23576462959 1757901 CCCCNC(=O)NNC(=O)C1=CC=C(C=C1)F 1 1.737 3 2 0 -10.8309343414659 1757725 CC1=C(SC(=C1C#N)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)N(C)C 1 2.349 4 5 0 -21.3535417931954 1757707 CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2)CC(=O)NCCC(=O)O 1 2.965 1 6 0 -21.9125370199486 1757646 CCCNC(=O)C1=CC(=CC=C1)CN2C=C(C(=N2)[N+](=O)[O-])Br 1 3.325 4 3 0 -13.466843489309 1757615 CCCOC1=C(C=C(C=C1)C=NNC(=O)C2=C(ON=C2C3=CC=CC=C3)C)OC 1 4.069 3 4 0 -12.0412701129943 1757609 COC1=CC=C(C=C1)CCNC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC 1 3.005 2 4 -13.3639381118837 1757603 CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2C)CCC(=O)NCCC(=O)O 1 3.908 1 6 0 -19.8889909143747 1757580 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CN3C=C(C=N3)[N+](=O)[O-] 1 2.689 6 6 0 -17.3771592766688 1757570 CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2)CCC(=O)N[C@@H](CCCNC(=O)N)C(=O)O 1 2.933 3 7 0 -31.3915240457911 1757562 CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2)CC(=O)NCCCC(=O)O 1 3.287 1 6 0 -25.228276765628 1757527 CC1=C(C=CC(=C1)C(=O)NN=CC2=CC=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.998 4 7 0 -12.3924868358348 1757484 COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O 1 2.608 1 6 0 -15.1743634563632 1757402 C1=CC(=CC(=C1)Cl)C=NNC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br 1 4.236 5 4 0 -4.06623779548813 1757398 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=C(C=NN2C)Br 1 3.179 4 1 -6.76231628491336 1757376 CC1=C(SC=C1)C(=O)NN=C/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 3.377 3 3 -3.89191971666408 1757274 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N 1 1.93 3 6 0 -18.3569648467141 1757164 CCCCNC(=O)NNC(=O)COC1=CC=CC(=C1C)C 1 2.339 3 3 -11.8098519049439 1757081 CCCCNC(=O)NNC(=O)COC1=CC(=CC(=C1)C)C 1 2.339 3 3 -13.9232885235721 1756873 CC1=C(C=C(O1)C(=O)OC)COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3 1 3.84 0 6 -13.0972027160437 1756838 C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC(=O)C4=CC5=C(C=C4)OCO5 1 3.884 0 6 -14.6975334679863 1756834 C1=CC=C(C=C1)CCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.996 2 4 -8.19794080599426 1756756 C1=CC(=C(C(=C1)Cl)C(=O)NCCCNC(=O)C2=C(C=CC=C2Cl)Cl)Cl 1 4.614 2 2 -8.16778163359168 1756715 CC1=CC2=C(N=C(N=C2O1)C)/C=C\C(=O)O 1 1.181 2 3 0 -1.18153882305512 1756709 COC1=CC(=C(C=C1)Br)C=NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3 1 4.769 2 3 -0.833495670112013 1756687 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NN=CC2=CC(=C(C(=C2)OC)OC)OC 1 1.883 3 6 0 -15.2211484099288 1756495 CC(C)C1=CC=C(C=C1)C(=O)NN=CC2=C(C(=CC=C2)Cl)Cl 1 5.206 2 1 -0.625866517822124 1756493 CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)N4CCC(CC4)(C5=CC=CC=C5)C(=O)O)C)C 1 5.038 1 6 0 -11.3843955656392 1756382 C1=CN=CC=C1CNC(=O)C2=C(C(=C(C(=C2F)F)F)F)F 1 2.498 2 1 -7.76539080239125 1756352 CC(C)CC(=O)NNC(=O)C(C)C 1 1.047 2 2 0 -12.2248682115687 1756351 CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2)CCC(=O)N[C@@H](CC(C)C)C(=O)O 1 4.889 1 6 0 -27.8535373630455 1756315 CCNC(=S)NNC(=O)C1=C(OC=C1)C 1 1.017 3 2 0 -9.204108326458 1756217 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=CC(=C(C=C2)OC)OC 1 3.457 2 3 -11.2002410110985 1756191 CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2C)CC(=O)NCC(=O)NCC(=O)O 1 2.263 2 7 0 -17.2705725020389 1756117 CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C(C(C(F)(F)F)(F)F)(F)F 1 3.577 3 3 -7.73830844973693 1756102 CN1C(=C(C=N1)Br)C(=O)NN=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3 1 3.508 4 4 0 -14.79094662038 1756061 C1=CC=C2C(=C1)C=CC=C2NC(=O)CCC(=O)NN=CC3=CC=CO3 1 2.322 3 3 -10.1603655865012 1756039 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=C(C=NN3C)Cl 1 3.91 4 4 0 -13.4916729147327 1756004 CC1=CC=C(S1)C=NNC(=O)C2=CC=C(O2)C(=O)NN=CC3=CC=C(S3)C 1 3.421 4 3 0 -2.91756673545837 1755970 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NNC(=O)C3=C(C=NN3C)Cl 1 3.91 4 4 0 -11.0265138388491 1755955 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=NN(C=C3Cl)C 1 4.047 4 4 0 -13.9463836688347 1755913 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=NN(C=C3[N+](=O)[O-])C 1 3.277 5 6 0 -16.9105211825197 1755908 COC1=CC=CC=C1NC(=O)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 1.905 4 5 0 -6.27036011244222 1755906 C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)CCC(=O)NCC4=CC=CC=C4 1 0.465 3 3 0 -20.7167453826575 1755800 CC(=O)N/C(=C/C1=CC2=C(C=C1)OCO2)/C(=O)O 1 0.52 1 5 0 -10.4950297805449 1755780 CCOC(=O)CN1C(=O)/C(=C/C2=CC=C(O2)C3=C(C(=CC=C3)C(=O)O)C)/SC1=O 1 3.525 1 7 0 -5.85694850137434 1755738 C1=C(C=C(C(=C1Cl)OCC(=O)O)Br)/C=C\2/C(=O)NC(=O)N2 1 1.614 2 5 0 -13.46984570016 1755644 C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)CCC(=O)NCC4=CC=C(C=C4)F 1 0.67 3 3 0 -19.1900534524126 1755579 COC1=C(C=C(C=C1)CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC)OC 1 2.961 3 5 0 -17.3744196988324 1755505 COC1=CC2=C(C=C1)NC(=C2NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)O 1 2.763 2 7 0 -7.53258486189658 1755496 CC1(C2=C(C[C@@H]3N1C(=O)CN(C3=O)CCCCCO)C4=CC=CC=C4N2)C 1 2.051 3 3 -6.48879169707653 1755289 C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)N[C@@H](C4=CC=CC=C4)C(=O)O)OC2=O 1 3.577 1 6 0 -20.6533841216301 1754889 CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=CC=C4)CC(=O)NCCCCCC(=O)O 1 4.334 1 6 0 -18.0020448401052 1754793 COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O 1 2.901 2 6 0 -16.1569975719236 1754762 CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=CC=C4)CC(=O)NCC(=O)O 1 2.852 1 6 0 -12.6500770446562 1754758 CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=CC=C4)CCC(=O)NCCC(=O)O 1 3.557 1 6 0 -17.2603141302255 1754690 CC1=CC(=CC=C1)NC(=O)C(=O)NN=CC2=CC=NC=C2 1 1.285 4 2 0 -4.97969608474374 1754612 COC1=CC=CC(=C1OC)C=NNC(=O)C(=O)NN=CC2=C(C(=CC=C2)OC)OC 1 1.952 4 6 0 -5.07897456755838 1754591 CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CCC(=O)N(C)CC(=O)O)C)C 1 2.628 1 6 0 -15.0458392762942 1754405 CC1=NN=C(S1)NC(=O)CCSCCC(=O)NC2=NN=C(S2)C 1 3.3e-002 6 2 0 -14.8676097173222 1754370 CC1=CC=C(O1)C(=O)NCCCCNC(=O)C2=CC=C(O2)C 1 1.618 2 4 0 -7.43019787501925 1754344 C1=CC(=C(C=C1F)F)NC(=O)CCCCC(=O)NC2=C(C=C(C=C2)F)F 1 3.684 2 2 -7.34181657467346 1754338 C1=CC(=C(C(=C1)Cl)C(=O)NCCCCNC(=O)C2=C(C=CC=C2Cl)Cl)Cl 1 5.194 2 2 -8.86278240735419 1754077 CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2)CC(=O)NCC(=O)NCC(=O)O 1 1.777 2 7 0 -22.0807502908266 1754019 COC1=CC=C(C=C1)/C=C/C=NNC(=O)COC2=CC=C(C=C2)OC 1 2.846 2 4 -1.5601788269424 1753673 CCCCC1=C(C=C(C(=C1)C(=O)CC2=CC=CC=N2)O)O 1 3.917 1 3 2.32032097624296 1753374 CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2C)CCC(=O)NCCCCCC(=O)O 1 5.141 1 6 0 -23.4173533074682 1753319 CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CCC(=O)N[C@@H](C(C)C)C(=O)O)C)C 1 3.749 1 6 0 -22.9480485307374 1753226 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4 1 5.332 1 6 0 -15.8039315390355 1753187 CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2C)CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O)C)C 1 2.212 3 7 0 -15.6457971322137 1752837 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=CC=C3Br)CCC(=O)O 1 4.742 0 5 -10.6336612637705 1752834 C1=CC=C(C=C1)/C=C/C=NNS(=O)(=O)C2=CC=C(C=C2)Br 1 3.494 2 2 3.85549767026648 1752804 CC1=CC(=CC=C1)NC(=O)CCCCC(=O)NC2=CC=CC(=C2)C 1 3.835 2 2 -5.7642386595021 1752738 CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CC(=O)NCCC(=O)O)C)C 1 2.214 1 6 0 -16.6972594994561 1752675 COC1=C(C(=C(C=C1)C=NNC(=O)C2=CC=CC3=CC=CC=C32)OC)OC 1 3.542 2 4 -3.20711426246596 1752653 CCNC(=S)NNC(=O)C1=CC=CC=N1 1 1.046 4 1 0 -10.2268000953531 1752641 CCCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CO2 1 3.302 3 4 0 -8.6304192861692 1752640 COC1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC=CO2 1 1.887 3 5 0 -13.7670295955434 1752606 CS(=O)(=O)NCCCCCCNS(=O)(=O)C 1 -0.298 2 4 0 -7.38650939290099 1752604 C1=CC=C(C(=C1)C(=O)NCCCCNC(=O)C2=CC=CC=C2Br)Br 1 4.033 2 2 -8.65731702002925 1752575 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F 1 2.735 3 2 -16.2342818830765 1752574 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F 1 3.428 1 3 -9.40263578958463 1752547 C1=CSC(=C1)C(=O)NCCCCNC(=O)C2=CC=CS2 1 2.443 2 2 -10.1801097541213 1752522 C1=CC=C(C(=C1)OCCNC(=O)C(=O)NCCOC2=CC=CC=C2Cl)Cl 1 3.32 2 4 -8.02327976531176 1752319 CC1(CC(=O)C(=CNCCN2CCN(CC2)C(=O)CC3CCCC3)C(=O)C1)C 1 1.44 3 3 0 -20.0452006616834 1752242 C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)NC4=CC=CC=C4C(=O)O 1 0.66 3 4 0 -10.4870236463066 1752111 C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=NC=CN=C3 1 1.367 4 1 0 -5.15156527675395 1752089 CC1=CC(=CC(=C1)NC(=O)CCNC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)C 1 1.311 4 3 0 -16.7345801410581 1751796 CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)O)OCC)/CCC2)Cl)O 1 6.647 0 5 1.38442823885216 1751698 CCN(CC)C(=O)COC1=C(C2=C(C=C1)C(=C(C(=O)O2)CCC(=O)OCC)C)C 1 3.434 1 6 0 -18.3086607559148 1751687 CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)OC)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.401 4 4 0 -19.1300466621015 1751420 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O 1 4.137 2 6 0 -16.3247680130854 1751222 CC(C)C1=CC=C(C=C1)NC(=O)CCNC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.532 4 3 0 -15.9869225285583 1750903 CC1=CC(=C(N1CCOC)C)/C=C\2/C(=O)N(C(=S)N2)C 1 1.496 3 2 0 -11.9649295038944 1750876 CCCCSCC1=C(OC(=C1)C(=O)O)C(C)(C)C 1 4.424 0 3 -6.0138668408123 1750830 CC(C)[C@@H](C(=O)NC1=CC(=C(C=C1)OC)OC)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.385 4 5 0 -24.0471992019902 1750779 CC1=C(C=CC(=C1)S(=O)(=O)NCC=C)OC 1 1.827 1 3 0 -7.27845543169658 1750684 CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 6.776 2 3 -12.3229296466251 1750649 CCCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)OC 1 1.76 1 5 0 -14.1511645858318 1750639 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC(=CC=C3)F)CCC(=O)O 1 4.199 0 5 -8.68111015999083 1750610 C#CCOC1=CC=CC=C1CNC2=CC=CC=C2 1 4.398 1 1 -5.11716631290177 1750608 CCCCNC(=O)CN(C1=CC(=CC=C1)Br)S(=O)(=O)C 1 2.083 2 3 -17.4909429967215 1750582 CCOC1=C(C(=CC(=C1)CNC2=CC=CC=C2)Br)OCC3=CC=C(C=C3)F 1 6.075 1 2 -3.4478905487503 1750501 C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)NCCC(=O)NC4=CC=C(C=C4)F 1 0.544 4 3 0 -15.5585051997447 1750446 CC1=CC(=C(C=C1)C)NC(=O)CCNC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.311 4 3 0 -18.049023908905 1750408 CCCNC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)F 1 1.084 2 3 0 -14.2172489483175 1750391 COC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC3=C(C=C2)OCCO3)OC 1 1.13 2 7 0 -19.9025748566832 1750363 CC1=C(C=C(C=C1)NCC2=CC(=C(C(=C2)Cl)OCC=C)OC)Cl 1 5.621 1 2 -7.55423282919468 1750354 CCCNC(=O)CN(C)S(=O)(=O)C1=C(C=C(C=C1C)C)C 1 2.337 2 3 -13.1796076975194 1750312 CC(C)CNC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)F 1 1.404 2 3 0 -13.1606974445268 1750267 CCOC1=C(C(=CC(=C1)CNC2=CC=CC=C2)Br)OCC3=CC=CC=C3F 1 6.075 1 2 -5.06875164059841 1750084 COC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)NCCC2=CNC3=CC=CC=C32 1 3.315 3 3 -16.6135745619077 1749860 C1COCCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl 1 3.472 3 2 -8.34373277537426 1749808 CC1=CC(=C(C=C1)NC(=O)CCNC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)C 1 1.311 4 3 0 -19.032723322189 1749548 CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=NC(=N3)[N+](=O)[O-] 1 2.599 5 5 0 -22.6109696466715 1749432 CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCCCOC)C 1 2.726 1 5 -20.4416806878661 1749368 CC1=C(C2=CC=CC=C2N1C)/C=C\3/C(=O)NC(=O)N3 1 1.381 3 2 0 -7.9059245106924 1749332 CC1=CC(NC2=C1C=C(C=C2)OC(=O)CN3C(=O)CCC3=O)(C)C 1 1.756 2 4 0 -15.0932956184516 1749114 CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 0.538 5 4 0 -21.9069981897106 1748969 CC1=CC(=CC=C1)NC(=O)[C@H](C(C)C)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.904 4 3 0 -16.8294348996282 1748955 CCCCC1=CC=C(S1)/C=C\2/C(=NOC2=O)C3=CC=CC=C3 1 5.065 1 2 3.51536026856486 1748953 CCCCC1=CC=C(S1)/C=C/2\C(=NOC2=O)C3=CC=CC=C3 1 5.065 1 2 3.51536026856486 1748693 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 1.413 6 5 0 -9.13616567134231 1748661 COC1=CC=CC(=C1OCC#N)C=NN2C(=NN=N2)N 1 0.278 7 2 0 -7.18098382419799 1748444 COC1=C(C=C(C=C1)CCNC(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC)OC 1 2.988 2 5 0 -17.3620528402527 1748426 COC1=C(C=C(C=C1)CC(=O)NC2=C(C(=CS2)C3=CC=CC4=CC=CC=C43)C(=O)OC)OC 1 4.685 1 5 -11.0628622111247 1748402 CCC1=CC=C(C=C1)/C=C\C(=O)N2CCCC2 1 3.115 1 1 -4.67681453409338 1748344 CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)C)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 5.156 2 4 -7.16834452268081 1748303 CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 4.815 2 4 -14.8102971953003 1748286 C1[C@@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)C(=S)NC(=O)/C=C/C4=CC=C(C=C4)F 1 2.999 3 2 -9.27515902894682 1748263 CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC=C(C=C4)OC)CC(=O)O 1 4.262 0 6 -2.5468678617964 1748225 CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=C(C=C4)F)CC(=O)O 1 3.998 0 5 -3.85570162707912 1748177 CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=C(C=C4)OC)CC(=O)O 1 3.776 0 6 -4.98054486168851 1747923 CC1=C(SC=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4OC 1 5.239 3 2 -7.76100490446747 1747861 C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C4 1 4.583 5 5 0 4.50323836066937 1747852 C1=C(C=NC=C1O)C(=O)NCCCCCCC(=O)O 1 1.065 2 4 0 -14.0459823362163 1747837 COC1=CC=C(C=C1)/C=C(/C(=O)NCCC(=O)O)\NC(=O)C2=CC=CC=C2 1 1.708 2 5 0 -23.6339809569048 1747834 CCOC1=CC=CC=C1/C=C(/C(=O)NCCC(=O)O)\NC(=O)C2=CC=CC=C2 1 2.057 2 5 0 -23.7188056745934 1747732 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC(=C2)OC)OC)COC3=CC4=CC=CC=C4C=C3 1 5.109 2 5 0 -8.16620279797881 1747704 CC(=C(C(=O)NCCCC(=O)O)NC(=O)C1=CC=CC=C1)C 1 1.46 2 4 0 -20.184362905997 1747645 CCCCC(=O)NN=CC1=C(C=CS1)C 1 3.038 2 1 -8.43786371498448 1747447 CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC(=C(C=C4)OC)COC(=O)C)C 1 5.547 3 4 0 -9.20306627024019 1747332 CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=CC=N4 1 4.95 4 2 -2.3927114218775 1747325 C1=C(OC(=C1)C(=O)NN=CC2=C(C(=C(C(=C2F)F)F)F)F)CN3C=C(C=N3)Br 1 4.165 4 2 -4.05192411094018 1747288 CCC1=CC=C(C=C1)/C=C\C(=O)N2CCC3=CC=CC=C3C2 1 4.312 1 1 -7.45133169466522 1747236 CCCCNC(=O)NNC(=O)C1=C(OC=C1)C 1 0.781 3 3 0 -11.6472552819093 1747173 CCCOC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 3.14 5 5 0 -11.2053273302729 1746874 CCOC(=O)C\1=C(N(C(=O)/C1=C\C2=CC=CS2)C3=CC=C(C=C3)OC)C 1 3.552 1 4 -9.36087715438891 1746835 CC1=C(/C(=C/C2=CC=C(C=C2)N(C)C)/C(=O)N1CC3=CC=CO3)C(=O)OC 1 2.617 2 4 -15.278635307903 1746723 CC1=C(N=C(S1)NN=C/C=C/C2=CC=CC=C2)C3=CC=CC=C3 1 4.261 3 0 5.87258711131566 1746683 C1=CC=C(C=C1)P(=O)(CC2=CC(=CC(=C2OCCO)Br)Br)C3=CC=CC=C3 1 5.925 0 3 0.961839401095759 1746542 CC1=CC=C(C=C1)NC(=O)C2=C(OC3=CC(=O)C=CC3=C2)NC4=C(C5=C(S4)CCCC5)C#N 1 4.962 3 3 -13.78520441054 1746595 CC(=O)NC1=CC=CC=C1C2=NNC(=NC2=O)SCC=C 1 1.962 4 2 0 -15.5025950850755 1746420 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NN=C(N4CC=C)C5=CC=CC=C5 1 6.156 5 1 -6.79860573613351 1746325 C1=CC=C(C=C1)N(C2=CC=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 5.7 1 1 -3.65219770581789 1746088 CCCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)C)C 1 3.277 3 4 0 -14.4307945569243 1746086 CCCCCCCCNC(=O)C1=NC=CN=C1 1 2.318 3 1 -13.3552211766218 1746062 CC(C)(CNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl 1 3.926 4 6 0 -8.78886642631434 1745957 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC3=CC=CC=C3S2 1 4.606 2 5 0 -21.2717167844689 1745986 CC(C)(CNC(=O)C1=CC=CC=C1F)CNC(=O)C2=CC=CC=C2F 1 3.22 2 2 -8.9653898579306 1745927 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C\C4=CC(=C(C=C4)O)OC)/SC3=S 1 3.458 3 4 0 -10.2342295404602 1745915 CC1=C(C(=CC=C1)NC(=S)NCCO)C 1 2.945 2 1 -6.20426214513771 1745909 C1=CC=C(C=C1)/C=C/S(=O)(=O)NCCCCC(=O)O 1 1.19 1 4 0 -6.06460121973163 1745853 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)OC3=C4C=C(SC4=NC=N3)C5=CC=CC=C5 1 5.756 3 5 0 -6.03334889734871 1745852 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)OC3=C4C=C(SC4=NC=N3)C5=CC=CC=C5)OC 1 5.773 3 4 0 -7.11154431441135 1745803 CC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C)C 1 3.057 1 4 -9.61627513947082 1745706 CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CN4C[C@H]5C[C@@H](C4)C6=CC=CC(=O)N6C5 1 1.907 4 2 0 -3.78523549454529 1745680 C1[C@@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)C(=S)NC(=O)C4=CC=C(C=C4)F 1 2.531 3 2 -11.915206016966 1745635 CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC3=C(C(=CS3)C4=CC(=C(C=C4)OC)OC)C(=O)N2CC=C 1 5.253 3 6 0 -24.4111254756829 1745565 CC(C)CCN1CC(=O)N2[C@H](C1=O)CC3=C(C2(C)C)NC4=CC=CC=C34 1 3.072 3 2 -8.02975285198223 1745564 CC1(C2=C(C[C@@H]3N1C(=O)CN(C3=O)CCCO)C4=CC=CC=C4N2)C 1 1.015 3 3 0 -6.73467513201085 1745499 CCCCCCCC(=O)NN1CCOCC1 1 1.723 2 2 0 -10.9477653744609 1745447 COC1=C(C=C(C=C1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC)OC 1 4.525 1 5 -11.0292383182342 1745292 COC1=CC=C(C=C1)CCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.384 1 4 -16.0987613061754 1745223 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O 1 3.146 1 6 0 -13.2257591431731 1745139 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=O)N2CCCCBr 1 3.482 2 2 -0.40623303744125 1745135 C1=CC=C(C=C1)C2=NNC(=S)N2CCCO 1 1.624 3 1 0 -2.25874083749016 1744993 COC1=C(C=C(C=C1)/C=C/C(=O)NCCCC2=CC=CC=C2)OC 1 3.833 1 3 -12.1188713386979 1745119 C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)OCCBr 1 3.615 1 3 -3.72632067853504 1744978 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl 1 5.342 3 4 0 -15.319427679867 1744975 CC(C)C1=CC=C(C=C1)/C=C/C(=O)NCCCC2=CC=CC=C2 1 5.06 1 1 -7.55475363851501 1744854 CS(=O)(=O)NCCCC1=CC=CC=C1 1 1.525 1 2 0 -6.68366998969728 1744847 C1=CC=C(C(=C1)NC(=O)CCSCCC(=O)NC2=CC=CC=C2F)F 1 2.975 2 2 -9.01773631729701 1744810 C=CCNC(=O)/C=C/C1=C(C=CC=C1Cl)F 1 2.992 1 1 -10.6559347940741 1744807 COC1=CC(=CC(=C1)C(=O)NCCCCC2=CC=CC=C2)OC 1 3.822 1 3 -11.2179239528596 1744805 CCCCNC(=O)/C=C/C1=CC=CS1 1 2.788 1 1 -11.2023384522419 1744671 C=CCNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl 1 2.213 2 3 -12.6207199541321 1744663 CC(C)(CNC(=O)C1=CC(=C(C=C1)OC)OC)CNC(=O)C2=CC(=C(C=C2)OC)OC 1 2.743 2 6 0 -11.9743167656062 1744647 CCCCC1=CC=C(C=C1)NC(=O)C2CCCC2 1 4.475 1 1 7.7682908685575e-002 1744628 CC(C)(CNS(=O)(=O)C1=CC=C(C=C1)F)CNS(=O)(=O)C2=CC=C(C=C2)F 1 2.626 2 4 -4.30699031971926 1744616 C1=CC=C(C=C1)CCCNC(=O)C2=CC=C(O2)Br 1 3.362 1 2 -9.36614773115894 1744577 CCCCC(=O)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OC 1 3.06 2 4 -24.721618100665 1744516 CC1=C(C=CO1)C(=O)NCCCCNC(=O)C2=C(OC=C2)C 1 1.035 2 4 0 -8.29780215428475 1744440 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F 1 3.128 4 3 0 -13.7817440841384 1744408 C(CC(=O)NC1=C(C(=C(C(=C1F)F)F)F)F)CC(=O)O 1 2.279 1 3 -12.6706532525697 1744325 CC(C)CCNC(=O)/C=C/C1=CC=C(C=C1)Br 1 3.834 1 1 -10.08980187421 1744311 COC1=CC=C(C=C1)C(=O)NCCCC2=CC=CC=C2 1 3.382 1 2 -8.64914153078382 1744191 CCCCCNC(=O)CCC1=CC=CC=C1 1 3.314 1 1 -15.1300312790284 1744174 COC(=O)C1=C(C=CS1)NC(=O)/C=C\C2=C(C=C(C=C2)Cl)Cl 1 4.22 1 3 -3.81334291792989 1744071 C1COCCN1NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 2.173 2 3 -7.41856005235206 1743893 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl)C(=O)OC)C 1 5.691 3 4 0 -19.3804711685151 1743846 CCOC(=O)C1=C(N=C(S1)NC(=O)CCCCl)C 1 1.827 2 3 0 -14.9043525433998 1743800 COC1=CC(=C(C=C1NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F)OC)Cl 1 4.273 1 3 -10.9805898490331 1743780 CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br 1 5.974 1 1 -8.14111925872752 1743751 COC1=CC=CC=C1N(CC(=O)NN=CC2=CC=C(C=C2)SC)S(=O)(=O)C 1 2.177 3 4 0 -13.6358038021756 1743750 CC1=C(C(=CC=C1)N(CC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)C)C 1 3.183 4 5 0 -12.231482738744 1743711 COC1=C(C=C(C=C1)CCNC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C)OC 1 1.862 2 6 0 -22.8475378234399 1743674 CC1=C(C(=CC=C1)N(CC(=O)NN=CC2=CC=CC=C2C(=O)O)S(=O)(=O)C)C 1 2.254 3 5 0 -14.1362820755438 1743666 CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 4.66 4 7 0 -12.8661156749266 1743628 CC1=C(C(=CC=C1)N(CC(=O)NN=CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3)C 1 3.83 3 5 0 -15.9597136218102 1743625 CS(=O)(=O)N(CC(=O)NN=CC1=CC=CS1)C2=C(C(=CC=C2)Cl)Cl 1 2.934 3 3 -14.7564619152314 1743345 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(O4)COC5=C(C(=C(C(=C5F)F)F)F)F 1 4.62 2 5 0 -2.83736581809141 1743296 CCCCCSC1=NC(=O)C(=NN1)C2=CC=CC=C2N 1 3.264 4 1 -13.3551040570665 1743283 CCCCCCC(=O)NN1CCN(CC1)C 1 1.536 3 1 0 -6.83599308343577 1743264 C1COCCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.06 3 2 -10.5601070147789 1743255 C1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NCC#N)Br 1 3.536 5 1 -10.8145986172757 1743009 CCC1=C(SC(=C1C(=O)N)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C 1 1.315 5 4 0 -11.8578624591638 1743016 C1=CC(=C(C=C1F)F)NC(=O)C2=CC=C(O2)COC3=C(C(=CC(=C3F)F)F)F 1 4.888 1 3 -4.82574094367556 1742967 C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=C(C=CC(=C4)[N+](=O)[O-])O)/C(=O)N2 1 3.109 3 6 0 3.6322713745108 1742937 C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=NC(=N3)[N+](=O)[O-])C(=O)N 1 1.019 6 4 0 -16.489764077159 1742917 CCOC1=C(C=CC(=C1[N+](=O)[O-])/C=C\2/C(=O)NC(=S)S2)O 1 2.826 2 5 0 4.6397969127257 1742715 CCOC(=O)NNC(=O)C1=CC=C(C=C1)Cl 1 1.863 2 3 0 -4.51772078060694 1742678 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC 1 3.782 1 4 -11.5021570038503 1742630 CCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3 1 4.807 2 2 -9.65555284066213 1742617 CCCCN(CCCC)C(=O)C1=CC2=CC=CC=C2C(=O)O1 1 3.675 1 3 -7.32758618795262 1742500 CN1C(=CC(=O)N(C1=O)C)NC(=O)/C=C\C2=CC=CC=C2 1 1.334 3 3 0 -11.6724513884303 1742480 CCOC(=O)CNC(=O)/C=C/C1=C(C=CC=C1Cl)Cl 1 2.89 1 3 -11.1746453404889 1742164 COC1=C(C(=CC(=C1)/C=C\C(=O)O)S(=O)(=O)N2CCCCCC2)OC 1 2.385 1 6 0 -12.1027835845953 1742161 C1=CC=C(C=C1)/C=C/C=C(/C(=O)NCCC(=O)O)\NC(=O)C2=CC=CC=C2 1 2.192 2 4 -18.3053671271456 1742072 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCCO)CC=C)C 1 1.791 3 3 0 -31.357570318863 1742054 C=CCSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1 1 3.36 2 1 -19.7882143637647 1742052 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCCO)C3=CC=CC=C3)C 1 2.751 3 3 -28.3907138758556 1742045 CCCOC1=CC=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2 1 4.813 2 1 4.370866970508 1742037 C/C(=C\C1=CC=CO1)/C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 5.018 3 2 -6.31881031598026 1741838 CC1=CC=CC(=N1)C(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.012 3 3 -10.0805840256404 1741766 CC1=C(OC2=C1C3(CCC2)SCCS3)C(=O)NCCCN4CCOCC4 1 2.565 2 3 -4.23759638410494 1741764 COCCCNC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=CS3 1 4.33 3 2 -8.15458327843998 1741763 C1COCCN1CCCNC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4 1 4.287 4 2 -6.89813935209078 1741759 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(O3)C4=CN=CC=C4 1 2.616 4 4 0 -24.7777066346819 1741735 CN1C(=NN=C1SC/C=C/C2=CC=CC=C2)C3=NC=CN=C3 1 2.587 5 0 -4.01938209747066 1741733 COCCCNC(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4 1 4.327 3 2 -6.39832055170152 1741732 C=CCNC(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4 1 5.012 3 1 -6.58686344017692 1741697 C1COCCN1CCCNC2=C(N=C(O2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4 1 3.78 3 4 0 -5.40903501628745 1741689 CCCNC1=NC=C(C=C1)S(=O)(=O)N(C(C)C)C(C)C 1 1.996 3 2 0 -6.7764170933918 1741687 CCCNC1=NC=C(C=C1)S(=O)(=O)N(CC)CC 1 1.241 3 2 0 -11.6904694400802 1741685 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CS3)NCCCN(C)C 1 3.868 3 3 -9.19947183405075 1741678 COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NCCO)OC 1 0.798 1 5 0 -9.30026058263274 1741673 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC(=C(N=C3)Cl)Cl 1 3.441 2 2 -11.710179139503 1741666 CCCOC1=CC=CC(=C1)OCC(=O)NC2=NC3=CC=CC=C3N2 1 3.363 3 3 -3.55219660506993 1741662 CCCCOC1=CC=CC(=C1)OCC(=O)NC2=NC3=CC=CC=C3N2 1 3.819 3 3 -4.74378644300125 1741622 CCCCC(=O)NCC1=CC=C(C=C1)F 1 2.742 1 1 -12.1675743230337 1741603 CCCCN(CCCC)C(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-] 1 4.46 2 3 -6.791783942897 1741049 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC=CN=C2 1 1.469 3 3 0 -11.7860159784409 1740989 COC1=C(C=C(C=C1)CC(=O)NCCCCC2=CC=CC=C2)OC 1 3.857 1 3 -14.7828934954464 1740950 CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OC(C)C)C)C#N 1 6.258 3 3 -18.9800300841296 1740802 CCCCCC(=O)NC1=C(C(=C(S1)C)C)C#N 1 3.283 2 1 -16.5383455316673 1740747 CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC 1 1.93 3 6 0 -15.6747655172507 1740663 CC1=C(C=CO1)C2=NN=C(O2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.092 4 6 0 -2.38211349144026 1740388 CC1(CC(=O)C(=CNCCCN2CCCC2=O)C(=O)C1)C 1 -0.115 2 3 0 -24.8829927695775 1740316 CC(C)(C)C1=CC=C(C=C1)C(=O)NN=CC2=CC(=CC=C2)Cl 1 4.748 2 1 0.843928507904656 1740011 CN1C(=O)/C(=C/C2=CC=C(O2)N3CCCCCC3)/C(=O)NC1=S 1 3.024 3 3 1.55238610528323 1739993 COC1=CC=CC=C1N(CC(=O)NCCSCC2=CC(=CC=C2)Cl)S(=O)(=O)C 1 2.852 2 4 -19.5441475711282 1739974 C1CCCN(CC1)CP(=O)(CN2CCCCCC2)O 1 2.599 2 2 -1.56176810201285 1739933 CC1=C(C=CC(=C1)Cl)OCCCC(=O)NCC2=CC=NC=C2 1 3.026 2 2 -8.22309342475338 1739929 CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CCCC3=CC=CC=C32 1 4.906 1 2 -5.25474865328231 1739911 CC1=CC=C(C=C1)C(=O)NCCCN2CCOCC2 1 1.413 2 2 0 -9.39021312899302 1739893 COC1=CC=C(C=C1)C(=O)NCCCCC2=CC=CC=C2 1 3.838 1 2 -8.84792970888817 1739888 C1=CC=C(C=C1)CCCCNC(=O)C2=CC=C(O2)Br 1 3.818 1 2 -9.56493590926329 1739848 CCCCCCCCCC(=O)NN=CC1=CC=C(S1)C 1 4.978 2 1 -7.76296768469659 1739831 COC1=C(C=CC(=C1)C=NN2C(=NN=N2)N)OCC#N 1 0.278 7 2 0 -13.3755337235075 1739829 C=CCOC1=CC=CC=C1C=NN2C(=NN=N2)N 1 1.181 6 1 0 -8.0604757091656 1739771 CC1=CC(=C(C(=O)N1)C(=O)/C=C/C=C/C2=CC=CC=C2)C 1 2.926 1 2 -8.34239355329319 1739640 CC1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)C(=O)OC 1 1.73 2 6 0 -17.3980084999504 1739583 C1=CC(=CC=C1C(=O)COC(=O)CNC(=O)CNC(=O)C2=CC=C(C=C2)Br)F 1 2.014 2 5 0 -18.2029656941691 1739581 C1=CC=C(C=C1)CC(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)F 1 1.301 2 5 0 -18.1202178253069 1739578 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=CC(=C(C=C2)C)C 1 4.025 0 5 -17.6698330967468 1739570 C1=CC2=C(C=CC(=C2N=C1)NC(=O)CCC(=O)OCC(=O)C3=CC=C(C=C3)Br)Br 1 3.96 2 4 -16.5560414550651 1739558 CC1=C(C=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCC(=O)OCC(=O)C3=CC=CS3)C 1 4.763 1 5 -14.944626391724 1739526 C1=CC=C(C=C1)CC(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC=CC3=CC=CC=C32 1 2.004 2 5 0 -14.1849986654961 1739525 C1=CC=C2C(=C1)C=CC=C2C(=O)COC(=O)CNC(=O)C3=CC=CO3 1 2.304 1 5 -9.87408438303261 1739236 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2OC 1 2.068 1 5 -13.965544067786 1739003 CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2 1 4.553 2 1 4.98916854333133 1738974 CC(=O)NC1=CC=C(C=C1)NCN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O 1 1.115 3 3 0 -12.4880582486414 1738947 C1=CC(=CC=C1C(=O)NC2=NN=C(S2)CCS(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-] 1 3.282 4 5 0 -19.4414164338509 1738520 C1CC(=O)N(C(=O)C1)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl 1 3.67 1 3 -1.85206430933483 1738511 CC1=C(C=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=C(O2)Br)[N+](=O)[O-] 1 2.344 2 7 0 -19.6556442621022 1738467 COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C=NNC(=O)C3=CC=CC=C3 1 3.801 2 5 0 -12.2105073447314 1738466 COC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=CC=C3 1 3.785 2 6 0 -15.5841736827536 1738458 CC1(CC2=C(C(C3=C(N2CCCOC)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C 1 3.697 1 5 -22.4236426863751 1738452 CC1(CC2=C(C(C3=C(N2CCOC)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C 1 3.635 1 5 -22.6604609447757 1738441 CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)N(C4=C2C(=O)CC(C4)(C)C)CCOC)OC 1 3.984 1 5 -23.8422608798728 1738436 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3 1 3.801 2 5 0 -16.4286593520765 1738435 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC 1 4.182 3 7 0 -18.014073763939 1738429 CCOC1=C(C=CC(=C1)C=NNC(=O)COC2=CC=C(C=C2)Cl)OS(=O)(=O)C3=CC=CC=C3 1 4.65 2 6 0 -14.9700666043106 1738426 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)Cl 1 3.603 3 5 0 -15.3706434544965 1738407 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=CC=C3 1 4.045 3 7 0 -20.4928253726227 1738404 CCOC1=C(C=CC(=C1)C=NNS(=O)(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C 1 4.339 2 6 0 -10.5633512232536 1738268 C1=CC=C(C(=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl 1 2.835 2 6 0 -18.5308532806763 1738267 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NC3=CC(=CC=C3)Cl 1 4.46 1 4 -10.6227483325668 1738220 C1=CC=C(C=C1)C=NC2=C(NC(=O)NC2=O)NCCO 1 -3.8e-002 4 3 0 -5.21887361077193 1738217 C=CCNC1=CC(=O)N(C(=O)N1)CC2=CC=CC=C2 1 1.606 3 2 0 -7.8438116494802 1738130 CN(CCC1=CC2=C(C(=C1C=O)OC)OCO2)C(=O)C3=CC=C(C=C3)F 1 2.865 1 5 -2.37683541174872 1737777 C1=CC(=CC(=C1)[N+](=O)[O-])NCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 1.652 5 6 0 -8.60110435417378 1737771 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=CC=C3 1 3.696 3 7 0 -19.0074776297 1737770 CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=NNS(=O)(=O)C3=CC=CC=C3)OC 1 4.288 2 5 0 -9.28372167102559 1737769 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-] 1 4.388 3 7 0 -9.59730228433222 1737757 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=O)COC3=CC=C(C=C3)Cl)OC 1 4.787 2 6 0 -13.3903263016464 1737745 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3 1 3.801 2 5 0 -17.0208918229521 1737739 COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C=NNC(=S)N 1 2.918 3 4 0 -10.231968348313 1737726 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.182 3 7 0 -13.982456760027 1737715 COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.696 3 7 0 -14.9758606257879 1737694 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C=NNS(=O)(=O)C3=CC=CC=C3)OC 1 3.991 2 6 0 -9.07800348033097 1737690 COC1=C(C=C(C=C1)C=NNS(=O)(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3 1 3.504 2 6 0 -9.37652382829995 1737476 COCCCNC(=O)C(=O)NN=CC1=CC2=C(C=C1Br)OCO2 1 0.821 3 5 0 -14.7263003679539 1737471 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C)OC(=O)C3=CC(=CC=C3)C 1 5.6 3 5 0 -23.3978494335905 1737470 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C)OC(=O)C3=CC=C(C=C3)C 1 5.6 3 5 0 -22.4648467140204 1737291 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC2=CC=CC=N2)C3=CC(=CC(=C3)C)C 1 4.62 3 3 -20.7117137291825 1737283 C1COCCN1CC2=CC=C(C=C2)C(=O)NCCSC3=CC=C(C=C3)Cl 1 3.654 2 2 -4.30502748501111 1737254 CCN=C1N(C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC)/S1)CC 1 3.954 3 1 -4.8636189531495 1737219 COC1=C(C=C(C=C1)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3)OC 1 3.129 3 5 0 -24.5675749035903 1737208 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCCSCC3=CC=C(C=C3)Cl 1 4.135 1 3 -7.88710284124786 1737171 CC1=C(C=C(C=C1)NC2=NC(=O)/C(=C/C3=CN(C4=CC=CC=C43)C)/S2)C 1 5.251 3 1 -1.68589140394541 1737143 CC1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=C(O2)C=NNC(=O)C3=C(N=C4N3C=CC(=C4)C)C 1 2.638 6 4 0 -15.2825096213391 1737123 CC1=CC2=NC(=C(N2C=C1)C(=O)NN=CC3=CC=C(O3)CNC(=O)C(=O)NC4=CC(=C(C=C4)C)C)C 1 3.124 6 4 0 -15.3939403308635 1737100 CC1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=C(O2)C=NNC(=O)C3=C(N=C4N3C=CC=C4)C 1 2.152 6 4 0 -14.3855916594009 1737094 CC1=C(N2C=CC=CC2=N1)C(=O)NN=CC3=CC=C(O3)CNC(=O)C(=O)NC4=CC=CC=C4 1 1.666 6 4 0 -14.5223622004529 1737055 CCOC(=O)C(=O)NCC1=CC=C(O1)/C=C/2\C(=O)C(=C(N2C3=CC(=C(C=C3)C)C)C)C(=O)OC 1 3.558 2 7 0 -13.2965678449804 1736965 CCOC(=O)C\1=C(N(C(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3)CC(C)C)C 1 3.85 2 5 0 -19.5120633075463 1734324 CC(C)C(C(C)C)NC(=O)CN(C1=C(C=CC(=C1)Cl)OC)S(=O)(=O)C 1 3.067 2 4 -13.6161923662344 1734258 CC1=CC=CC=C1S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C 1 2.571 1 4 -12.7581077500922 1734179 C1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)Cl)/C(=O)S2 1 4.535 1 1 -1.21312440952039 1734123 CN\1CCS/C1=C\C=C/2\C(=O)N(C(=S)S2)CC(=O)O 1 2.06 2 3 -9.03166894455701 1734121 CCN1C(=O)/C(=C/C=C/2\N(CCS2)C)/SC1=S 1 2.928 2 1 -4.57771320762135 1734120 CN\1CCS/C1=C\C=C/2\C(=O)N(C(=S)S2)C 1 2.579 2 1 -3.88037089354773 1734112 CN\1C=CC=C/C1=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3 1 3.039 2 1 -7.50058731172653 1734111 CN\1C=CC=C/C1=C\2/C(=O)N(C(=S)S2)CC3=CC=CC=C3 1 3.039 2 1 -7.50058731172653 1734089 CC1=CC=C(C=C1)OC2=C(C=C(C=C2C(=O)N)[N+](=O)[O-])[N+](=O)[O-] 1 2.667 3 6 0 0.427604163354087 1734045 CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C 1 3.044 4 4 0 -3.979691130453 1733965 CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C)C4=CC=CC=C4 1 3.563 3 1 -2.82577628957923 1733931 CC1=C(C(=O)N2C(=N1)N(C=N2)COCCOC(=O)C)Br 1 7.9e-002 4 4 0 -11.410338484139 1733898 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=NC=C5 1 3.603 6 2 0 -9.22208811122439 1733897 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)NS(=O)(=O)C3=CC=C(C=C3)C 1 3.232 4 4 0 -17.9411139306429 1733756 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCOC)C2=CC(=CC=C2)OC 1 1.922 2 5 0 -19.5755861094986 1733715 CC1=CC(=CC(=C1Cl)C)OCC(=O)NCCO 1 1.97 1 3 0 -7.19619202850086 1733654 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC=C(C=C3)C 1 4.41 3 3 -2.90039968475804 1733550 CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.979 2 6 0 -14.4993488849893 1733533 CC(=O)N(CCN(C1=CC=CC=C1)C(=O)C)C2=CC=CC=C2 1 2.131 2 2 -3.08838391465904 1733419 CC1=CC=C(C=C1)C2=N/C(=C\C3=CC(=CC=C3)F)/C(=O)O2 1 4.004 1 2 -5.09596804803459 1733385 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=NC=C3 1 2.504 6 3 0 -19.9670415207074 1733352 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CO3)OC 1 3.436 5 6 0 -22.2344086223851 1733328 CN\1C2=C(C=CC(=C2)OC)S/C1=C\3/C(=O)N(C(=NCC4=CC=CC=C4)S3)C 1 4.64 3 2 -1.63632844325168 1733315 C1CCN(C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.493 3 5 0 -7.03427237667105 1733314 CCCNC(=O)C1=NN2C(=CC(=NC2=C1Cl)C3=CC=CC=C3)C(F)(F)F 1 4.594 4 1 -12.4975137712266 1733312 CCCNC(=O)C1=NN2C=C(C=NC2=C1Br)Br 1 2.109 4 1 -11.0151693049225 1733311 CCCCNC(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=CC=C3)C(F)(F)F 1 4.386 4 1 -16.0175726210203 1733268 CN1CCN(CC1)NC(=O)CN2C(=O)/C(=C/C3=C(C=CC=C3Cl)Cl)/SC2=S 1 3.107 4 2 -6.86317084081428 1733114 CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=O)NC(=O)S3)C 1 3.595 2 2 2.76649224825618 1732986 CC1=CC(=C(C=C1)C2=C/C(=C/C3=CN=CC=C3)/C(=O)O2)C 1 3.372 1 2 -1.06768086081778 1732840 CC1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=NNC(=O)CC#N)C4=CC=CC=C4 1 6.06 4 1 -6.36281324564922 1732839 C1OC2=C(O1)C=C(C=C2)C=NN=C(C3=NON=C3N)N 1 0.531 6 3 0 -4.81679818972259 1732761 C=CCNC1=NC(=C(S1)C(=C(C#N)C#N)C2=CC=CC=C2)N 1 2.528 5 0 -9.58199113214574 1732753 CC1(/C(=C\C2=CC=CS2)/C(=O)C(=O)C(N1)(C)C)C 1 2.419 1 2 -4.91643629719796 1732676 CC1=CC(=CC=C1)OCCSC2=NC=NC3=C2NC=N3 1 2.961 4 1 -1.96715166347375 1732661 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=C3C(=O)O 1 3.545 2 5 0 -16.4223870672261 1732653 C/C(=C/C=NNC1=NC(=NC(=N1)N2CCCCC2)N3CCCCC3)/C4=CC=CC=C4 1 4.215 7 0 0 -0.208545435747363 1732651 C1COCCN1C2=NC(=NC(=N2)NN=C(/C=C\C3=CC=CC=C3)Br)N4CCOCC4 1 1.973 7 2 0 -2.65159581418064 1732631 CCCCOC1=CC=C(C=C1)/C=C/2\C(=O)C3=CC=CC=C3S2 1 5.007 0 2 -1.15048825191855 1732614 CCONC(=NC)C1=NON=C1N 1 -0.482 5 2 0 -6.39096964993413 1732491 CC1=C(C(=NN1)C)N=C2N(C(=O)/C(=C/3\N(C4=CC=CC=C4S3)C)/S2)CC=C 1 4.138 5 1 -5.05694027530215 1732499 CCCCCCSC1=NSC(=N1)NC(=O)CCC 1 4.247 3 1 -13.3523669572193 1732500 CCCCCCSC1=NSC(=N1)NC(=O)CC(C)C 1 4.499 3 1 -12.3357364987953 1732467 COC1=CC=C(C=C1)OCCSC2=NC(=O)C3=CC=CC=C3N2 1 3.646 2 3 -8.79049784230509 1732432 CCOC(=O)/C(=C\C1=C(C(=C(C=C1C)C)COC(=O)C)C)/C#N 1 3.574 1 4 -9.12192457250466 1732276 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.068 4 7 0 -13.2037867146014 1732274 CN(C1=CC=C(C=C1)OC)C(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5 1 6.162 3 2 -0.262465069971735 1732272 CC(C)N(C(C)C)C(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 6.054 3 1 -1.30173548802741 1732257 CCCOC(=O)C1=C(C=CC(=C1)NC(=O)/C=C/C2=CC=CC=C2)O 1 3.568 1 4 -5.47481078103022 1732132 CCOCC(=O)NC1=C(C=CC(=C1)C(=O)NCCC(C)C)Cl 1 2.488 2 3 -17.8027795879562 1732131 CCOCC(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)Cl 1 2.484 2 3 -10.7807214245319 1732130 CCOCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2Cl 1 2.484 2 3 -10.2757775553903 1732129 CCOCC(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2C)C)Cl 1 3.457 2 3 -9.31509484030489 1732127 CCOCC(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC(=CC(=C2)C)C)Cl 1 3.457 2 3 -11.1526691892102 1732123 CCOCC(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)Cl 1 2.69 2 3 -9.91219026069326 1732115 CCOCC(=O)NC1=C(C=CC(=C1)C(=O)NCCC2=CC=CC=C2)Cl 1 2.812 2 3 -13.9698715619928 1732093 CCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CN=CC=C2 1 2.856 2 3 -11.1150091570557 1732090 CCOC(=O)C1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)OC 1 3.152 0 6 -16.6221184616799 1732058 CCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 5.525 1 3 -5.78656112560542 1732002 COC1=CC(=C(C=C1C(=O)NC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3OC)OC)OC)OC)OC 1 3.3 2 8 0 -10.019701000156 1732001 COC1=CC(=C(C=C1C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC(=C(C=C3OC)OC)OC)OC)OC 1 3.228 3 8 0 -7.44675534494682 1731992 CC1=CC=CC=C1S(=O)(=O)OC2=CC3=C(C=CC(=C3)O)C=C2 1 4.117 0 4 -4.29353180081473 1731901 CCOCC(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C 1 0.128 3 3 0 -17.9179275520348 1731959 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=CC(=C3)O)C=C2 1 4.117 0 4 -3.94037514835465 1731950 CCOCC(=O)NC1=CC(=CC=C1)SC 1 1.577 1 2 0 -4.5216984764725 1731935 CCOCC(=O)NC1=CC(=C(C=C1OC)OC)Cl 1 1.667 1 4 0 -10.5351106812922 1731868 CCCCC(=O)NC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 1 3.933 1 2 -9.79523221229497 1731866 CCCCC(=O)NC1=CC(=C(C=C1)C)O 1 2.773 1 2 -6.44789091116137 1731788 CCOCC(=O)NC1=C(C=CC(=C1)Cl)C 1 2.186 1 2 -6.19947612283223 1731787 CCOCC(=O)NC1=CC(=C(C=C1)C)Cl 1 2.186 1 2 -6.19232247179852 1731601 CC1=N/C(=C/C2=CN=CC=C2)/C(=O)O1 1 0.498 2 2 0 -6.91020545897668 1731566 C1=CC=C2C(=C1)N=NN2C(=O)CCCOC3=C(C=C(C=C3)Cl)Cl 1 4.822 3 2 -2.51112721724227 1731558 C=CCSC1=NN=C(O1)C2=C(C=C(C=C2)Cl)Cl 1 4.158 2 1 -5.0830708905045 1731520 C1COCCN1C(=O)/C(=C/C2=CC=C(C=C2)Br)/NC(=O)C3=CC=C(O3)Br 1 2.6 2 4 -20.1687857255217 1731474 CCCCCN1C2=NC(=O)C=C(C2=C(N1)C)C 1 1.974 3 1 0 -7.10941616991459 1731473 CCCCNC(=O)C1=CC(=NN1)[N+](=O)[O-] 1 1.535 4 3 0 -10.5195163075286 1731344 CCOC1=CC=CC=C1/C=C(/C(=O)NCC=C)\NC(=O)C2=CC=CC=C2 1 2.944 2 3 -22.3473496304636 1731219 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3N 1 3.333 3 3 -3.60953816247821 1731145 CCN\1C2=C(C=C/C1=C\3/C(=O)N(C(=S)N3C)C)C=C(C=C2)C 1 3.488 3 1 -2.00007552092292 1731125 C1=CC=C(C(=C1)NC2=NC(=O)/C(=C/C3=C(C(=CC=C3)[N+](=O)[O-])O)/S2)Cl 1 4.096 3 4 0 1.5344383701874 1731093 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/CCC2 1 5.039 0 7 0 -3.06759835228378 1731021 CC1=CC=CC=C1NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.281 1 4 -16.0073291357522 1731007 CC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC 1 2 1 6 0 -20.0445135580525 1730746 CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 4.001 3 8 0 -16.5829709497576 1730709 CC1=CC=CC=C1NC(=O)CCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.657 2 6 0 -22.5450671285869 1730686 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)N4CCOCC4 1 1.028 2 8 0 -24.1952290748679 1730662 CC(=O)NN1C(=O)/C(=C/2\N(C3=CC=CC=C3S2)C)/SC1=S 1 2.881 3 2 -4.26384473918543 1730612 C=CCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)F)/SC1=S 1 5.074 1 2 -6.07320417244834 1730435 COC1=CC=C(C=C1)N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.894 2 4 -20.5186987191828 1730432 COC1=CC=C(C=C1)NP(=O)(OC2=CC=CC=C2OC)OC3=CC=CC=C3OC 1 4.241 1 6 0 -1.64239830180805 1730430 CC1=CC(=CC=C1)OP(=O)(NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)OC4=CC=CC(=C4)C 1 4.356 3 4 0 -8.622615828901 1730429 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4 1 3.383 3 4 0 -10.6522300105777 1730397 CN(C)C1=NC(=NC(=N1)NCCOC2=CC=CC=C2)Cl 1 2.353 5 1 -2.29506843355118 1730390 C1=CC(=CC=C1N2C(=O)/C(=C\C3=C(C=C(C=C3)O)O)/C(=O)N2)Br 1 2.516 2 4 4.31116275280452 1730348 CCOP(=O)(C1=CC=CC=C1)C2=C(OC(=N2)C3=CC=CC=C3Cl)N4CCCCC4 1 5.381 2 3 -0.609201533549074 1730305 CC1=CC=C(C=C1)C2=NC(=O)/C(=C\C3=CC(=C(C=C3)OC)OC)/S2 1 4.324 1 3 -2.7769370298263 1730304 CC1=CC=C(C=C1)C2=NC(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/S2 1 4.324 1 3 -2.7769370298263 1730133 C1=CC(=C2C=CC(=O)OC2=C1)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 2.473 3 7 0 -10.3547299605201 1729895 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC(=C3)C 1 5.022 2 3 0.860020107707664 1729894 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC(=C3)C 1 4.565 2 3 0.861219598917328 1729841 CC1=C(C(=O)N=C(N1CCCCCC(=O)O)C)C2=CC=CC=C2 1 2.414 2 3 -9.47068563276479 1729814 CCN(CC)C(=O)/C(=C(\C1=CC=CC=C1)/SC2=NC=CC=N2)/NC(=O)C3=CC=CC=C3 1 3.463 4 2 -10.0392953795496 1729747 CCCCOC1=CC=C(C=C1)CNC(=S)NN=CC2=CC(=C(C=C2)OC)OC 1 5.094 3 3 -12.5376235204802 1729734 C1=CC=C(C=C1)C=NNC(=O)C2=NC(=CC=C2)C(=O)NN=CC3=CC=CC=C3 1 3.243 5 2 0 -8.82646249564818 1729703 CC1(CC(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(N1)(C)C)C 1 2.519 2 3 -11.280177036715 1729644 C1COCCN1C2=NSN=C2OCC(=O)NN=CC3=CC=C(C=C3)OCC(=O)O 1 0.654 5 6 0 -11.7235811455735 1729462 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3 1 4.535 2 3 -1.25529835448244 1729567 CCCCC1(C(=O)NC(=NC1=O)NC2=CC=CC(=C2)C)CCCC 1 4.892 3 2 -0.957607619917411 1729452 CC(=O)NC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC=CC=C3 1 2.087 3 4 0 -17.9007907701331 1729297 CCN\1C2=CC=CC=C2O/C1=C\C=C/3\C(=O)N(C(=S)N3C)C 1 3.495 3 2 1.81645615371825 1729283 CC1=CC=C(O1)C=NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.012 4 6 0 -7.46451171090719 1729135 CCOCC(=O)NC1=NC2=CC=CC=C2S1 1 1.661 2 2 0 -4.27949183202623 1729132 CCOCC(=O)NC1=NC2=C(S1)C=C(C=C2)C 1 2.147 2 2 -3.55353217590226 1729066 CC(C)(C)C1=C(C=CC(=C1)OS(=O)(=O)C)O 1 2.546 0 4 -1.13940501673977 1729061 CCCCNS(=O)(=O)C1=CC(=C(C=C1)OC)C 1 2.539 1 3 -6.77001639830298 1729052 CCOCCCNS(=O)(=O)C1=C(C(=C(C=C1)OC)Cl)Cl 1 2.333 1 4 -11.0985800170423 1729040 C1=CC=C(C(=C1)CN2C(=O)/C(=C\C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/SC2=O)C#N 1 4.408 3 4 0 -3.40241821872181 1729026 C1=CC=C(C(=C1)CN2C(=O)/C(=C\C3=CC=CN3C4=CC=C(C=C4)C(=O)O)/SC2=O)C#N 1 4.408 3 4 0 -3.39532990747001 1728957 CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4 1 4.115 3 5 0 -7.71298632912859 1729001 CCCNC(=O)CN(C1=CC(=CC=C1)F)S(=O)(=O)C 1 1.084 2 3 0 -16.4493285921601 1728994 CN(C1=CC=C(C=C1)C(=O)NCCSCC2=CC=CO2)S(=O)(=O)C 1 1.534 2 4 0 -12.7616547800788 1728984 COC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 1.656 2 6 0 -17.6991052349156 1728913 CCN1C(=O)/C(=C/C2=C(C=C(C=C2)N3CCOCC3)OC)/C(=O)NC1=O 1 1.252 3 5 0 -3.638280106921 1728906 CC(C)N1C=C(C2=CC=CC=C21)/C=C/3\C(=O)N(C(=O)S3)CC(=O)N4CCCC4 1 3.1 3 3 -8.58273617340955 1728898 COC1=CC=C(C=C1)CCNC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.353 2 4 -11.634798455725 1728895 CCN1C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)N4CCCC4)/C(=O)NC1=O 1 1.645 4 4 0 -11.140859359398 1728891 COC1=CC=C(C=C1)CCNC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.437 2 4 -13.0914582008265 1728852 C=CCN1C(=O)/C(=C\C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)F)/NC1=O 1 2.385 3 4 0 -12.7830327884342 1728831 CC1=NC2=C(O1)C=CC(=C2)NC(=O)NCC=C 1 1.349 3 2 0 -8.7890377911737 1728809 CCN1C(=O)/C(=C/2\N(C3=C(S2)C=CC(=C3)OC)C)/SC1=NC4=CC=CC=C4 1 4.982 3 2 1.31742972090588 1728733 CCN\1C2=CC=CC=C2S/C1=C\3/C(=O)N(C(=S)O3)C 1 3.502 2 2 0.914222170510301 1728734 CCN\1C2=CC=CC=C2S/C1=C/3\C(=O)N(C(=S)O3)C 1 3.502 2 2 0.914222170510301 1728735 CN1C(=O)/C(=C/C2=CC=C(C=C2)OC)/OC1=S 1 2.472 1 3 -0.860295592664865 1728777 C1COCCN1C(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.178 3 6 0 -20.4384244231927 1728742 C1=NN(C(=N1)[N+](=O)[O-])CCN2C=NC(=N2)[N+](=O)[O-] 1 0.261 8 4 0 -7.06892118050891 1728696 CN\1CCS/C1=C\C=C/2\C(=O)N(C(=S)O2)C 1 2.021 2 2 -0.310010794687014 1728632 C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCCC(=O)O 1 0.92 3 4 0 -15.0333617943886 1728625 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)OC 1 3.99 1 4 -7.06077933449617 1728614 CCCCNC(=O)CC1=CC=C(C=C1)Br 1 3.149 1 1 -10.755234144202 1728611 CCCCC1=CC=C(C=C1)NC(=O)CC(C)C 1 4.18 1 1 -8.49262520195679 1728564 CCOC1=CC=CC=C1N(CC(=O)NCC=C)S(=O)(=O)C2=CC=C(C=C2)C 1 3.018 2 4 -22.5034724097801 1728524 CCNC(=O)CN(C1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=CC=C2 1 1.899 2 5 0 -19.368392955674 1728493 COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=CC=CC=C3C=C2 1 3.857 0 4 -5.24003397012764 1728424 COCCC(=O)NNS(=O)(=O)C1=CC=C(C=C1)Cl 1 0.559 2 4 0 -11.0454864317806 1728421 CC1=CC=C(C=C1)CSCCNS(=O)(=O)C2=CC=C(C=C2)C 1 3.91 1 2 -6.60728787850531 1728372 C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CN3C4=CC=CC=C4C(=O)C3=O 1 1.246 2 6 0 -1.59977727594447 1728361 C1COCCN1CCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)Br 1 1.699 4 3 0 -10.9627368121612 1728359 C1CCN(CC1)CCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)Br 1 2.929 4 2 -8.56413060124908 1728356 C1=CC(=CC=C1C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])Br 1 3.151 4 5 0 -11.985652870806 1728353 C1COCCN1CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2 1 0.951 4 3 0 -12.1237233251559 1728350 CCC(=O)NNC(=S)NC(=O)C1=CC=CC=C1 1 1.676 3 2 0 -10.4774689908532 1728349 CC(=O)NNC(=S)NC(=O)C1=CC=CC=C1 1 1.009 3 2 0 -8.25737533875754 1728348 C=CCNC(=S)NNC(=O)COC1=CC=C(C=C1)Br 1 2.62 3 2 -13.7341165042967 1728346 CCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NCC=C 1 3.348 3 2 -13.9581759740333 1728345 CCCOC1=CC=C(C=C1)C(=O)NNC(=S)NCC=C 1 2.892 3 2 -12.766586136102 1728327 CC(=O)NNC(=S)NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 2.538 3 2 -10.8745778509423 1728326 CC1=CC=C(C=C1)C(=O)NC(=S)NNS(=O)(=O)C2=CC=C(C=C2)C 1 3.349 3 3 -11.5510891069213 1728325 CC1=CC=C(C=C1)C(=O)NC(=S)NNS(=O)(=O)C2=CC=CC=C2 1 2.862 3 3 -11.6207798039399 1728318 CC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)Br 1 1.593 3 3 0 -8.61705991246557 1728317 CC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)[N+](=O)[O-] 1 0.739 4 5 0 -11.0767966453082 1728313 CCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C 1 1.865 3 3 0 -7.64952954427084 1728308 CC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)Br 1 1.757 3 2 0 -6.55999002194652 1728285 CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC#N 1 1.555 4 2 0 -14.2278090366 1728284 CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C 1 3.481 3 3 -10.3680333637241 1728283 CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 2.889 4 5 0 -12.3509918162914 1728282 CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2O 1 2.917 3 3 -4.77949119864034 1728278 CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2 1 3.159 3 2 -7.1006768794537 1728277 CCCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)C 1 3.074 3 2 -13.201792242792 1728276 CCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)C 1 2.162 3 2 -9.68182142334389 1728275 CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C 1 1.495 3 2 0 -7.4617277712482 1728273 CCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC 1 2.988 3 3 -8.490529005208 1728272 CCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC 1 2.532 3 3 -7.29893916727668 1728254 COCC(=O)NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-] 1 -0.459 3 6 0 -15.2641362068972 1728149 CC1=CC=C(C=C1)S(=O)(=O)NCCCOC 1 1.158 1 3 0 -8.51402475233956 1728183 CCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F 1 2.629 2 3 -9.45626794674742 1728164 CCCCOC1=C(C=C(C=C1)CSC2=NN=C(N2N)C)[N+](=O)[O-] 1 2.836 5 3 0 -13.4302449654165 1727782 CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F 1 3.649 3 5 0 -5.658365693674 1727773 CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)/C=C/4\C(=O)NC(=O)N(C4=O)C)C 1 3.611 3 5 0 -13.2536401601368 1727347 C1=CC(=CC(=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)Cl)OC3=O)C(F)(F)F 1 4.778 3 2 7.38803834648568 1727273 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCSC2=CC=CC=C2 1 2.345 2 3 -12.0861637759071 1727038 C1CCC(C1)(CNC(=O)C2(CCCC2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.531 1 1 -17.9458248322741 1726745 C1=CC=C(C(=C1)NC(=O)CCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl 1 2.835 2 6 0 -19.9797100811684 1726742 CC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.911 2 7 0 -23.3308414781257 1726707 C1CC(=O)N(C1=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3 1 2.125 1 5 -15.7542960871074 1726678 C1CC(=O)N(C1=O)C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3 1 2.125 1 5 -15.0341614934216 1726610 C1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC(=CC=C2)Cl 1 2.941 1 4 -14.5812923020739 1726561 C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)CCCCCC(=O)O 1 1.455 1 6 0 -13.0733011054026 1726520 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2C(=O)O)Cl)Cl 1 4.757 1 5 -10.278703831474 1726485 CCC[C@@H]([C@@H](C1=CC=CC=C1)O)N[C@@H](CCC)[C@@H](C2=CC=CC=C2)O 1 4.644 1 2 -5.35818851685609 1726470 COC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC4=C(C=C3)OCC(=O)N4)C5=CC=C(C=C5)OC 1 4.848 2 4 4.61343739880635 1726186 C1COCCN1C(=O)C2=CC=C(C=C2)N/C=C(\C=O)/C3=NC4=CC=CC=C4O3 1 1.803 3 4 0 -4.73239915542078 1726185 C1CCN(CC1)C(=O)C2=CC=C(C=C2)N/C=C(\C=O)/C3=NC4=CC=CC=C4O3 1 3.032 3 3 -3.16410270564519 1725836 CC1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=C(C=C3)O)/S2 1 3.335 2 2 -4.78936947703605 1725772 CCCCCCCCNC(=O)C1=CC=C(C=C1)C 1 4.677 1 1 -9.55105933688974 1725747 CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3C)C4=CC=CC=C41 1 4.851 2 2 -0.334647229016032 1725739 CCN1C2=C(C=C(C=C2)NC(=O)C3=C(C(=CC=C3)OC)OC)C4=CC=CC=C41 1 4.629 2 3 -4.04484296547703 1725703 CC(C)CCNC(=O)CCCC1=CC=CC=C1 1 3.565 1 1 -15.8995492181291 1725648 C=CCCCCCCCCC(=O)NC1=NC=CC=N1 1 3.618 3 1 -12.4032918658669 1725625 CC1=C(OC=C1)C(=O)NCCNC(=O)C2=C(C=CO2)C 1 1.657 2 4 0 -7.69333372083995 1725587 C=CCN1C(=O)/C(=C\C2=CC=C(O2)N3CCOCC3)/NC1=O 1 0.929 3 4 0 -7.5488722047709 1725562 CC1=CC=CC=C1NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C=C3)N4CCOCC4)F)/NC2=O 1 2.12 4 4 0 -12.5444546780808 1725541 CN1C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4)/NC1=S 1 2.718 4 2 -10.9428163117669 1725525 C1COCCN1C2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)N3)CC4=CC=CC=C4)F 1 2.581 3 3 -4.84052840457959 1725518 CCOC(=O)C1=C(S/C(=C\C2=CN(C3=CC=CC=C32)CC(=O)N4CCCC4)/C1=O)NC5=CC=CC=C5 1 4.566 3 4 0 -10.2990653238887 1725463 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=C3C(=O)OCCOC)C 1 2.977 1 6 0 -11.9247660676495 1725452 CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)OC 1 4.831 1 7 0 -17.2436371892568 1725437 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C4=CC=NC=C4 1 3.612 2 6 0 -17.8306510101976 1725048 CC1(OC(=C/C(=C/C=C2C(=O)NC(=O)NC2=O)/O1)C3=CC=CC=C3)C 1 1.093 2 5 0 -4.65954920634038 1725045 C1=CC=C(C=C1)C(=O)NN2C(=O)/C(=C/C3=CC(=C(C=C3)O)O)/SC2=S 1 3.396 2 4 -4.73087978938567 1724958 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NC3=CC=C(C=C3)O 1 3.282 2 3 -13.8885595328809 1724914 C1=CC=C2C(=C1)N=C(S2)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F 1 6.646 2 1 2.47436849857385 1724901 C1=CC=C2C(=C1)N=C(O2)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F 1 6.088 2 2 4.10007578848873 1724894 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.016 3 7 0 -21.1280624539234 1724888 CCOC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=C(C=C2)C)S(=O)(=O)C 1 3.022 2 4 -18.8453213295799 1724694 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 1.697 4 6 0 -10.8423078926775 1724572 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)/C(=C/C4=CC=C(C=C4)C)/SC3=S 1 5.543 2 4 -20.4605439679249 1724554 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.101 5 6 0 -15.641188792061 1724463 CSC1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)N2 1 1.278 2 2 0 -6.11164992282915 1724454 C1CCN(C1)C(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CC=C3F 1 3.615 2 2 -17.9314207769076 1724453 COC1=CC=CC=C1C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)N3CCCC3 1 3.393 2 3 -18.259881741455 1724449 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)N3CCCCCC3 1 2.909 3 2 -18.4023588873217 1724445 CN1CCN(CC1)C(=O)/C(=C/C2=CN=CC=C2)/NC(=O)C3=CC(=CC=C3)Br 1 1.755 4 2 0 -15.3008464244549 1724437 CCOC(=O)N1CCN(CC1)C(=O)/C(=C/C2=CC=CS2)/NC(=O)C3=CC=CS3 1 2.316 3 4 0 -17.8486324940768 1724436 CN1CCN(CC1)C(=O)/C(=C/C2=CC=CS2)/NC(=O)C3=CC=CS3 1 2.064 3 2 -14.8106666905594 1724426 CC1=CC=CC=C1C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O 1 4.784 1 3 -5.67654220297953 1724396 CN1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)F)/NC(=O)C3=CC=CC=C3 1 2.363 3 2 -14.8730876281476 1724354 C1=CC(=CC(=C1)NC(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC=CS3)C(F)(F)F 1 3.862 2 3 -10.1672434739175 1724273 CC1=C/C(=C\C2=CC=C(O2)Br)/C(=O)O1 1 2.279 0 3 -6.25133998891905 1724256 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)O 1 4.933 1 4 -1.2417157268606 1724252 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)/C(=C/C3=CN=CC=C3)/S2 1 2.689 3 3 -7.1083494621936 1724248 CC1=C(C=C2CSC(SCC2=C1)C3=C(C=CC4=CC=CC=C43)O)C 1 6.167 0 1 2.31125690363338 1724180 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)/C(=C\C3=CC=CO3)/S2 1 3.235 2 4 -5.7733749127001 1724168 CC1=CC=C(C=C1)S(=O)(=O)NCCOC2=NC(=NC(=N2)N(C)C)N(C)C 1 1.622 6 3 0 -7.9092299544855 1723833 CC1=CC=C(C=C1)SCCNC(=O)CN(C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 4.227 2 5 0 -17.1284704731309 1723672 CC(C)(CNC(=O)C1=CC=C(O1)Br)CNC(=O)C2=CC=C(O2)Br 1 2.735 2 4 -8.13331882551907 1723513 COC1=CC=CC=C1CCNCC2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 2.918 2 5 0 -3.66999922895895 1723436 COC1=C(C=C(C=C1)Br)CNCCC2=CC3=C(C=C2)OCO3 1 3.772 1 3 1.50343864430465 1723357 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)NC(=O)OC 1 2.346 4 7 0 -9.29438135536299 1723352 CCCCCCCC(=O)NNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CC)O 1 3.64 3 4 0 -8.71941460622974 1723350 CCCCCCC(=O)NNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CC)O 1 3.184 3 4 0 -8.71941460622974 1723321 CCCCCCCCC(=O)NNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CC)O 1 4.096 3 4 0 -8.71941460622974 1723236 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)Cl 1 3.43 2 3 -5.90047785095177 1722957 CCC1=CC=C(C=C1)C2=C/C(=C/C3=CN=CC=C3)/C(=O)O2 1 3.342 1 2 -1.50119480083151 1722949 CCCS(=O)(=O)C1=C2C=CC(=CN2C(=C1S(=O)(=O)CCC)C(=O)C3=CC=C(C=C3)OC)C(=O)N 1 3.141 2 7 0 -15.0221896626154 1722886 CN(CCCC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)S(=O)(=O)N(C)CCCC(=O)O 1 1.258 2 9 0 -16.3805142523189 1722691 C1=CC(=CC(=C1)Br)C(=O)NCCCCCC(=O)O 1 2.749 1 3 -14.3044179432038 1722677 CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)OC 1 5.073 1 3 -10.8234186945985 1722667 C1=CC(=CC(=C1)Br)N2C(=O)/C(=C\C3=CC=C(C=C3)O)/C(=O)N2 1 2.758 2 3 0.371051924055294 1722651 CCOC(=O)C\1=C(N(C(=O)/C1=C\C2=CC=CS2)C3=CC=CC=C3)C 1 3.568 1 3 -9.37765131554683 1722642 CCN\1C2=C(C=CC(=C2)Cl)S/C1=C\3/C(=O)N(C(=S)S3)NC(=O)C 1 3.894 3 2 -2.61654341639209 1722641 CC(=O)NN1C(=O)/C(=C/2\N(C3=C(S2)C=CC(=C3)Cl)C)/SC1=S 1 3.545 3 2 -1.98618447283831 1722540 C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)NC2=CC=NC=C2 1 3.197 2 2 -5.36013180068154 1722518 COCCCNS(=O)(=O)C1=CC=CC=C1 1 0.672 1 3 0 -9.41003439157572 1722516 C1=CC=NC(=C1)CNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 3.419 2 2 -12.3301713640392 1722413 CC1=CC(=NC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C 1 1.71 5 5 0 -9.73065483463105 1722392 CCCCOC(=O)/C(=C/C=C/C1=CC=CC=C1)/NC(=O)C2=CC=CC=C2 1 4.438 1 3 -10.0247889167372 1722330 CCCCC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=NN(CC)CC 1 3.185 4 3 0 -8.25192528445746 1722252 CCCCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1 1 2.734 2 2 -19.978249435003 1722251 CCCCN(C1=NC(=NC(=N1)NC(C)C)Cl)NC(=O)C 1 1.945 6 1 0 -10.5842417453242 1722138 CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.749 1 4 -10.5829524070453 1721996 CCCCCCCCCCC(=O)NC1=CN=CC=C1 1 4.116 2 1 -8.99335700057783 1721981 CCCCCCCCCC(=O)NC1=CN=CC=C1 1 3.66 2 1 -8.99335700057783 1721956 CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)Br)C4=CC=CC=C41 1 4.625 2 2 -1.8375680756538 1721952 CCCCC(=O)NC1=CC=CC=C1CC 1 3.472 1 1 -9.59887740256551 1721951 CCOCC(=O)NC1=CC=CC=C1C(=O)O 1 0.665 1 4 0 -10.1353105864241 1721882 CC1=CC(=CC=C1)NC2=NC(=O)/C(=C/C3=CC=CN3C)/S2 1 3.856 3 1 -4.55340809387438 1721856 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/SC2=O)C 1 4.554 3 5 0 -6.60808267459501 1721844 CCOC(=O)CN1C(=O)/C(=C\C2=C(N(C(=C2)C)C3=CC=CC=N3)C)/SC1=O 1 2.759 3 4 0 -8.93122680130251 1721822 C1=CC(=CC(=C1)[N+](=O)[O-])CN2C(=O)/C(=C/C3=CC(=C(C=C3)O)[N+](=O)[O-])/SC2=O 1 3.278 3 7 0 -0.905623057295026 1721802 COC1=CC=CC=C1/C=C/C=NNC(=O)C2=CC=NC=C2 1 1.876 3 2 0 -2.43676763321834 1721589 CCN\1C2=C(C=C/C1=C/3\C(=O)N(C(=S)O3)CC)C=C(C=C2)C 1 3.753 2 2 -1.39629641931603 1721376 CC(C)OC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)F)C3=CC=CC=C3)C#N 1 5.654 2 3 -12.4307436546596 1721285 CCCOC1=CC=C(C=C1)C=NNC(=O)CN2CCCCC2 1 2.798 3 2 -5.80350163710812 1721265 CCOC1=C(C=CC(=C1)C=NNC(=O)C)OCC=C 1 1.951 2 3 0 -13.6791717178227 1721253 CC1=CC=C(C=C1)OCCSC2=NC=NC3=C2NC=N3 1 2.961 4 1 -3.05899445261254 1721205 CCCCCCCC(=O)NNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CCC)O 1 4.164 3 4 0 -9.40654320884452 1721204 CCCCCCC(=O)NNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CCC)O 1 3.707 3 4 0 -9.40654320884452 1721196 CCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NN=CC3=CC(=CC=C3)F 1 5.266 3 3 1.81651417597412e-002 1721195 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NN=CC3=CC(=CC=C3)F 1 4.81 3 3 7.54152592961056e-002 1721191 COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3C(=O)O 1 3.866 2 5 0 -17.0486562780135 1721018 C1=CC=C2C(=C1)C(=O)/C(=C\C3=CN=CC=C3)/S2 1 2.544 1 1 -0.382845953233951 1721016 C1=CC=C2C(=C1)C(=O)/C(=C/C3=CN=CC=C3)/S2 1 2.544 1 1 -0.382845953233951 1721009 CCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CO2 1 3.385 0 5 -7.17300662137871 1721008 CCCCN(CCCC)NC(=O)C1=CC=CC=C1 1 3.409 2 1 -7.0942827562079 1720947 CC1=CC=CC=C1OCC(=O)NC2=C(C3=C(S2)CCC3)C#N 1 3.528 2 2 -18.3801367942619 1720937 CC(C)(CCC#N)C=NNC(=O)CSCC1=CC=CC=C1Cl 1 3.406 3 1 -13.6833516190044 1720819 CC1=CC(=CC=C1)OCCNC(=O)CCC2=CC=CC=C2 1 3.647 1 2 -11.1119651927872 1720783 C/C(=C\C1=CC=CC=C1)/C=C/2\C(=O)N(C(=S)S2)CC=C 1 4.578 1 1 -12.2123945756218 1720775 CCCCOC(=O)NC1=NN=C(S1)COC2=CC=CC=C2 1 3.156 3 3 -10.5592535578408 1720767 C1=CC=C(C(=C1)NC2=NC(=O)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])O)/S2)Cl 1 4.096 3 4 0 1.7829264893605 1720748 CCOC(=O)CNC(=O)C1=CC=CS1 1 1.047 1 3 0 -13.0530151265156 1720714 C1=CC(=CC(=C1)Cl)NC(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 5.119 3 6 0 -4.83136299338134 1720712 C1=CC=C(C=C1)OP(=O)(NS(=O)(=O)C2=CC=CC=C2)OC3=CC=CC=C3 1 3.865 1 5 -4.73991750811746 1720698 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.598 2 7 0 -17.7782993014766 1720697 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.598 2 7 0 -16.3294425009844 1720686 CC1=CC=CC(=C1)C(=O)NCCNC(=O)C2=CC(=CC=C2)C 1 2.867 2 2 -6.78123921446193 1720681 COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)NC4=O 1 2.036 2 5 0 -20.8111100126151 1720676 C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)NC4=O 1 1.81 2 5 0 -17.2148840597923 1720674 CCN(CC)CCNS(=O)(=O)C1=C2C=CC=C3C2=C(C=C1)NC3=O 1 1.44 3 3 0 -17.914183063043 1720550 C1=CC(=CC(=C1)Cl)C=NNC(=O)CNC(=O)C2=CC=CS2 1 2.36 3 2 -10.8307076320779 1720543 CC1=C(C(=NN1CC(=O)NCCOC)C)[N+](=O)[O-] 1 -0.269 4 4 0 -18.2449293705999 1720491 CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 2.611 1 5 -15.2119171195757 1720480 C=CCOC1=CC=CC(=C1)C=NNC(=O)CC(=O)NC2CCCCC2 1 2.866 3 3 -14.9389570293199 1720467 C1CCN(C1)C(=O)C(=O)NN=CC2=CC3=C(C=C2)OCO3 1 0.808 3 4 0 -11.1743149997863 1720465 C(CCOC1=NON=C1N)COC2=NON=C2N 1 0.36 6 4 0 -4.05680855961044 1720023 C=CCNC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 1 2.207 2 3 -22.2617611448966 1720018 CC1=CC=C(C=C1)C=NNC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 3.507 3 5 0 -20.6830874602909 1719992 CC1=CN=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O 1 2.855 3 3 -11.7633712999814 1719973 CC1=CC=CC(=C1)C(=O)OC2=CC=CC=C2C=NNC(=O)C3=CC=C(C=C3)NC(=O)C(C)(C)C 1 5.268 3 4 0 -18.0974479431152 1719972 CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2OC(=O)C3=C(C=C(C=C3)Cl)Cl 1 6.11 3 4 0 -11.5691803599975 1719970 CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Cl 1 5.446 3 4 0 -15.3848902106552 1719878 C1=CC=C(C(=C1)C(=O)NCC(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)/C=C/C3=CC=CO3)O 1 3.544 3 6 0 -8.75522364618016 1719874 CCCCC1CCC(CC1)C(=O)N2CCOCC2 1 3.014 1 2 -12.1545534205275 1719873 CCCCCCC1CCC(CC1)C(=O)N2CCOCC2 1 3.926 1 2 -11.8138779567762 1719768 C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.354 2 4 2.67026305647066 1719670 CCN\1C2=CC=CC=C2S/C1=C\3/C(=O)N(C(=S)S3)CC 1 4.409 2 1 -3.06599903241399 1719635 CC1=CC(=C(C=C1)OC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 2.873 3 6 0 -9.02151570317075 1719634 C1CCC2=C(C1)C=CC=C2NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.916 3 5 0 -8.47979768987709 1719632 COC1=CC(=C(C=C1)OC)C=NNC(=O)CC(=O)NCC2=CC=CC=C2 1 1.958 3 4 0 -11.4631992558314 1719631 CC(C)C1=CC=C(C=C1)C=NNC(=O)CC(=O)NCC2=CC=CC=C2 1 3.185 3 2 -10.6700566475564 1719610 CCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NN=C(S3)C 1 3.726 4 3 0 -8.12540715370435 1719534 CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)OC)OC)C4=CC=CC=C41 1 4.629 2 3 -4.3530088467291 1719529 C1=CC=C2C(=C1)C3=NN(C4=CC=CC(=C43)C2=O)C(=O)C5=CN=CC=C5 1 3.498 3 2 0.721009686690227 1719520 C1=CC=C(C=C1)C(=O)OCCOCN2C=C(C(=O)NC2=O)Br 1 1.002 2 5 0 -11.8260286326261 1719488 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)NCCCN(C)C 1 3.781 4 5 0 -15.8975145436717 1719457 C1=CC(=CC(=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O 1 2.766 3 8 0 -7.63332393909311 1719380 C1=CC=C2C(=C1)C3=C(N2)C(=CC=C3)NC(=O)C(F)(F)F 1 3.531 2 1 0.420886066355831 1719341 CCOC(=O)CN1C(=O)/C(=C/C2=CC=C(O2)N3CCCC3)/SC1=O 1 2.347 2 5 0 -4.03441041986455 1719337 C1=CC=C(C(=C1)CN(CC(=O)NN=CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl 1 4.194 3 5 0 -13.7234920535375 1719310 CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)CC(=O)NC(C)C)C 1 2.787 4 2 -13.1088572565088 1719309 CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C(=O)NC3=C(C=CC(=C3)Cl)OC)C 1 4.251 4 3 0 -7.19953618370817 1719300 CC1=C(/C(=C/C2=CC=CS2)/C(=O)N1C3=CC(=C(C=C3)OC)OC)C(=O)OC 1 3.187 1 5 -11.6117619331507 1719274 CC1=CC(=C(N1C2=C(C(=CC=C2)Cl)Cl)C)C=NNC(=O)C(=O)NC3=C(C=C(C=C3)OC)OC 1 4.412 4 4 0 -10.8977906498457 1719273 CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C=NNC(=O)C(=O)NC3=CC(=CC=C3)OC 1 4.429 4 3 0 -6.54307640021158 1719192 CCC1=CC=CC=C1N2C(=O)/C(=C/C3=CC=C(O3)N4CCN(CC4)C)/C(=O)NC2=S 1 4.127 4 3 0 4.10269543097745 1719140 CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C 1 5.261 3 2 -5.2076215802023 1719089 CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=CC=CC=C3S2 1 4.775 3 2 -5.93358123632628 1719062 C=CCNC(=S)NNC(=O)C1=CC=CO1 1 1.431 3 2 0 -12.1552304946491 1719056 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.409 4 4 0 -13.1530979810184 1719049 C1=CC=C(C=C1)C(=O)CNC(=S)NC(=O)C2=CC=CS2 1 3.12 2 2 -10.8414405735781 1719039 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NN=C(S3)C(C)C 1 3.943 4 3 0 -7.23945266669681 1718953 C1=CC(=NC(=C1)C(=O)NCCCC(=O)O)C(=O)NCCCC(=O)O 1 5.4e-002 3 6 0 -18.4479924451801 1718950 CCN\1C2=C(C=C/C1=C\3/C(=O)N(C(=S)S3)C)C=C(C=C2)C 1 3.963 2 1 -3.23898947093459 1718915 COC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC 1 2.37 3 7 0 -11.1939573271648 1718913 C1CC2=C(C1)NN=C2C(=O)NN=C/C=C/C3=CC=CC=C3 1 2.843 4 1 -5.50217655363514 1718622 C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)NN=C(/C=C/C3=CC=CC=C3)Br 1 2.535 3 4 0 -13.3503938291618 1718658 C1CCN(CC1)C2=NC(=NC(=N2)NN=C/C=C/C3=CC=C(C=C3)Br)N4CCCCC4 1 4.517 7 0 0 3.57977440885345 1718655 CC1=CC=C(C=C1)OP(=O)(NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)OC4=CC=C(C=C4)C 1 4.356 3 4 0 -10.0592611308944 1718638 CCN1C(=O)/C(=C/2\N(C3=C(S2)C=CC(=C3)OC)C)/SC1=NC4=CC(=CC=C4)O 1 4.74 3 3 4.10729913676289 1718389 CCCC(=O)NC(=S)NC1=C(C2=C(S1)CCC2)C(=O)N 1 2.94 3 2 -18.9904956284387 1718367 CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CS2 1 3.991 4 2 -11.3706793106766 1718335 CCCCCCSC1=C(C(=O)NC2(S1)CCCCC2)C#N 1 4.615 2 1 -10.2732861100056 1718316 COC1=CC=C(C=C1)S(=O)(=O)NCCCC2=CC=CC=C2 1 3.085 1 3 -6.51650922778117 1718307 CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3Cl 1 6.071 3 3 -13.3547226925709 1718237 COC1=CC=C(C=C1)OCCSC2=NC(=O)C=C(N2)N 1 1.85 3 3 0 -10.1260556097376 1718175 CCCCC(=O)NC(=S)NC1=C(C=C(C=C1C)Br)C 1 5.402 2 1 -9.00324068211848 1718171 CCCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CO2 1 3.861 3 3 -12.9840271283636 1718170 CCCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CC 1 3.468 3 2 -12.0007059632094 1718169 CCCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2 1 4.465 3 2 -14.6855270940597 1718168 CCCCCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCCCC2)Cl 1 5.881 3 1 -8.91021592232539 1718167 CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCOCC2 1 3.987 3 2 -12.223934567274 1718154 CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)OC 1 3.992 2 3 -17.2384757900295 1718151 CCCCCC(=O)NC(=S)NC1=NC=C(C=C1)Cl 1 3.717 3 1 -8.61510290155062 1718149 CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 4.317 3 3 -13.7016941490899 1718133 CCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC=N3 1 4.633 4 2 -3.73494342222856 1718078 CCONC1=NC=NC2=NON=C21 1 -0.114 5 2 0 -4.0826327050862 1718048 C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)NN(C3=O)C4=CC=CC=C4 1 2.02 2 4 -4.53401134248294 1718041 CCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2C=NN=C2 1 1.028 5 4 0 -10.2780115152498 1718040 CCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2C=NN=C2 1 0.572 5 4 0 -8.91415670477376 1718024 C1=CC=C2C(=C1)C(=O)N=C(N2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.396 4 5 0 -6.5179056848549 1717970 C1=CC(=CC=C1OCC(=O)NCC2=CC=NC=C2)Cl 1 1.97 2 2 0 -7.01200679307862 1717965 COC1=CC=CC=C1NC(=O)COC2=CC3=CC=CC=C3C=C2 1 3.342 1 3 -5.44824188768376 1717957 C1=CC=C(C=C1)CCC(=O)NNC(=O)COC2=CC=C(C=C2)Cl 1 2.862 2 3 -8.39307008310483 1717938 COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CC=C3[N+](=O)[O-])/C(=O)NC2=O 1 2.525 3 6 0 -2.37169682291994 1717930 C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(=O)O)[N+](=O)[O-] 1 3.424 4 6 0 -2.27473264816606 1717915 CCN1C2=C(C=C(C=C2)NC(=O)C(C)C)C3=CC=CC=C31 1 4.127 2 1 -5.95079414802638 1717914 CCCC(=O)NC1=CC2=C(C=C1)N(C3=CC=CC=C32)CC 1 4.121 2 1 -6.28573338250981 1717911 CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C41 1 4.851 2 2 1.53053846144244 1717907 CCN1C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3)C4=CC=CC=C41 1 4.497 2 2 -2.40789605794295 1717880 CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)C4=CC=CC=C41 1 4.057 2 2 -0.621752317729919 1717864 CN(C)C1=CC(=O)N2CCCSC2=N1 1 1.289 3 1 0 -12.1489084994099 1717859 C=CCN1C(=O)/C(=C\C2=COC=C2)/C(=O)NC1=O 1 0.791 2 4 0 -12.3364155296456 1717810 CC1=CC=C(C=C1)NC(=O)/C=C\C(=O)NCC(=O)O 1 0.739 2 4 0 -10.6015501573043 1717763 CCC1=NN=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4)C#N 1 5.348 5 1 -18.6124572625871 1717753 CCC1=NN=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C#N 1 5.348 5 1 -18.6124572625871 1717706 CCCCCCCCS(=O)C1=C(C2=C(S1)N=C(C=C2C)C)N 1 4.47 2 1 3.14705514296143 1717496 C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3C(=O)NCCO 1 1.591 1 3 0 -6.84342402811163 1717489 CCOCCOC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=O 1 2.995 0 4 -8.73412072602676 1717460 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)O 1 1.654 1 5 0 -5.48372988771321 1717232 CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C4=CC=CC=C41 1 4.646 2 2 -2.62824077954346 1717220 C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC(=CC(=C3O)Br)Br)/SC2=S 1 5.885 1 2 6.39586828890584 1717182 CCOC(=O)CC1=CSC(=N1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)OCC 1 3.208 3 4 0 -13.3324062174402 1717181 CC(C)OC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=CC=C1C(=O)O 1 4.023 2 4 -11.5646481166333 1716838 C1=CC=C(C(=C1)C(=O)NC(C(F)(F)F)(C(F)(F)F)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl 1 5.4 4 3 0 -7.90782583864627 1716553 C1CCC2=C(C1)C(C(=C(N2C3=C(C=C(C=C3)F)F)N)C#N)(C(F)(F)F)C(F)(F)F 1 5.106 3 0 -6.08557087873862 1716538 C1CCC2=C(C1)C(C(=C(N2C3=CC=CC=C3F)N)C#N)(C(F)(F)F)C(F)(F)F 1 4.901 3 0 -5.96994740234693 1716470 CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)C3=C(C(=C(C=C3)F)F)F 1 4.557 1 3 -5.31075304850991 1716469 CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)NCCCN(C)C)F)C3CC3 1 2.641 3 3 -5.88156227547295 1716460 CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCCCCC3)F)C4=NC(=CS4)C5=CC=C(C=C5)Cl 1 6.242 3 3 -0.613077680236808 1716445 CC1=CC=C(C=C1)C\2=NOC(=O)/C2=C\C3=CC=C(O3)C 1 3.413 1 3 3.68931549860492 1716436 C=CCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl 1 1.978 1 2 0 0.38304007470137 1716419 CCCCNC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=C(C=C3)OC)C(F)(F)F 1 5.118 4 2 -12.2043638395465 1716379 CCCCCN1CN(C(=S)SC1)CC2=CC=CC=C2 1 5.494 2 0 -3.60694201487902 1716237 CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 5.564 2 2 -6.09843905114511 1716232 CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2 1 4.622 2 2 -10.1546949672669 1716214 CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CN=CC=C2 1 3.927 3 2 -11.7863748079707 1716202 CSC1=CC=CC(=C1)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 4.89 1 2 -2.98019950932819 1716197 COC1=CC=C(C=C1)CCCC(=O)NCCC2=CC=CC=C2 1 3.873 1 2 -12.0786252857947 1715542 CC1C/C(=C\C2=CC=CS2)/C(=O)/C(=C\C3=CC=CS3)/C1 1 5.296 0 1 -1.63125417384865 1715490 CN1CCN(CC1)C(=S)SCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] 1 3.534 4 4 0 -6.08446740496409 1715432 CC1=CC=C(C=C1)C(=O)C(=C2SCCCS2)C(=O)/C=C/C3=CC=CC=C3 1 5.612 0 2 -4.63547560299038 1715363 C1=CN=C(N=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.145 5 5 0 -8.82694413998318 1715263 CCCCC(=O)NC1=NN=C(S1)C 1 1.264 3 1 0 -14.8015995792877 1715241 COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2 1 2.492 3 4 0 -11.1773862647653 1715236 CC1=CC=C(C=C1)C(=O)/C=C\C(=O)C2=CC=C(C=C2)C 1 4.56 0 2 1.4456552506495 1715014 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl 1 5.461 1 1 1.1132473309068 1714975 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCO 1 -3.5e-002 2 5 0 -8.74883026774635 1714974 CC(=O)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)[N+](=O)[O-] 1 3.08 1 5 -6.32697945213766 1714949 CCN1/C(=C\2/C(=O)N(C(=S)S2)CC)/C=CC3=CC=CC=C31 1 3.825 2 1 -3.82786215637052 1714948 CCN1/C(=C/2\C(=O)N(C(=S)S2)CC)/C=CC3=CC=CC=C31 1 3.825 2 1 -3.82786215637052 1714937 CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)O 1 1.278 1 4 0 -13.3082595489161 1714907 CC(=O)NC1=CC=CC=C1C(=O)C(=O)O 1 0.465 1 4 0 -9.28221683273484 1714877 COC1=CC=C(C=C1)NC2=NCCC2 1 1.449 2 1 0 -3.64412333200608 1714876 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C(=CC=C4)CC=C)OC3=O 1 3.541 4 5 0 -23.4779153965577 1714860 CCCCCCC1=CC2=CC(=C(OC2=CC1=O)N)C(=O)N 1 2.086 2 3 -4.54030055060907 1714849 CCCSC1=C(C2(CCCCC2)C(=C(N1)N)C#N)C#N 1 2.938 4 0 -9.24524184778523 1714746 CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)C)OC)OC 1 5.857 2 4 -5.95349239287249 1714727 C1=CC=C(C=C1)CCCNS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.23 3 2 -7.9260394906343 1714724 C1=CC=C(C=C1)OP(=O)(NS(=O)(=O)C2=CC=C(C=C2)Br)OC3=CC=CC=C3 1 4.613 1 5 -3.18553746134767 1714723 C1=CC=C(C=C1)OP(=O)(NS(=O)(=O)C2=CC=C(C=C2)Cl)OC3=CC=CC=C3 1 4.529 1 5 -1.72887771624624 1714722 CC1=CC=C(C=C1)S(=O)(=O)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 1 4.351 1 5 -3.55087640683305 1714718 CCOC(=S)NC(=NS(=O)(=O)C1=CC=C(C=C1)C)C2=CC=CC=C2 1 4.611 2 3 -10.5692532948575 1714677 C1=CC(=CC(=C1)Br)C2=NC3=C(N=CC=C3)N=C2C4=CC(=CC=C4)Br 1 5.729 3 0 7.24562145662151 1714665 CC1=CC=CC(=C1)C=NN=CC2=CC(=CC=C2)C 1 4.467 2 0 2.361754556943 1714590 C1=CC=C(C=C1)/C(=C\C2=CN=CC=C2)/C#N 1 2.504 2 0 -6.97108374029423 1714551 C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)CCCCl 1 3.053 3 2 -11.5194598438159 1714536 COC1=C(C=C(C=C1)C=O)OC2=NC(=NC=C2F)Cl 1 2.954 2 3 -3.0445305232636 1714535 C1=CC=C(C=C1)/C=C/C=C(\C#N)/C(=O)NCC2=CC=CO2 1 2.578 2 2 -9.45149808213186 1714390 COC1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)Cl 1 3.144 3 1 0.532394532753643 1714366 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.112 3 7 0 -12.0430878692775 1714327 CS(=O)(=O)N(CCC#N)CC1=CC=C(O1)C=O 1 0.165 2 4 0 -9.79569336330191 1714317 C1=CN=CC=C1CNC(=O)C(=O)NCCCO 1 -1.317 3 3 0 -9.53128157856024 1714314 C1=CC(=CC=C1C=O)OC2=NC(=NC=C2F)Cl 1 2.97 2 2 1.20536092261076 1714313 CC1=C(C(=CC=C1)NC2=NC(=NC=C2F)Cl)C 1 3.536 3 0 5.98004265344178 1714312 C=CCNC1=NC(=NC=C1F)Cl 1 1.604 3 0 0 -3.22788029363641 1714310 CN1CCN(CC1)C2=NC(=NC=C2F)Cl 1 1.15 4 0 0 3.66296531153726 1714291 COC1=C2C(=C(C(=C1)C=O)C3=C4C(=C(C=C3C=O)OC)OCO4)OCO2 1 2.37 0 8 0 -1.45413755359014 1714280 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=O 1 1.844 1 5 0 -15.8991658625728 1714273 COC1=C(C=C(C=C1)C=NNC(=O)C(=O)N2CCCCCC2)O 1 1.694 3 4 0 -7.34124484690926 1714272 C1CCCN(CC1)C(=O)C(=O)NN=CC2=C(C=CC=C2Cl)F 1 2.822 3 2 -11.5717022421208 1714230 CCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=O 1 3.522 0 4 -2.57103283847083 1714163 C1=COC(=C1)/C=C(/C(=O)NCCO)\NC(=O)C2=CC=CO2 1 0.245 2 5 0 -17.1982807046988 1714105 CCC1=C(C=C(C(=N1)SCC#N)C#N)C 1 2.805 3 0 -9.69588656559564 1714073 CC1=CC(=NC(=N1)Cl)OC2=NNC(=O)C=C2 1 1.373 4 2 0 -8.71468122618586 1714070 C1=COC(=C1)/C=C(/C(=O)N)\NC(=O)C2=CC=C(O2)Br 1 1.147 2 4 0 -11.9286681662997 1714069 C1=COC(=C1)/C=C(/C(=O)O)\NC(=O)C2=CC=C(O2)Br 1 1.775 1 5 0 -11.830631487203 1714051 CCCOC(=O)C1=C(SC2=C1CCC2)N 1 2.524 1 2 -5.65483663604186 1714019 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCC3=CC=CC=C3 1 4.407 2 3 -4.39116848225891 1714016 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=C3Cl 1 4.75 2 3 -5.66491056816736 1714009 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3 1 4.079 2 3 -1.25409886327277 1714008 CCOC(=O)C(=O)NC1=NC=CS1 1 0.297 2 3 0 -5.21746127442843 1713858 C1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)O 1 2.676 1 3 -9.59648947475402 1713837 C1=CC(=CC(=C1)NC2=C(C=NC=C2)S(=O)(=O)O)C(F)(F)F 1 2.504 2 3 0.606118028658171 1713824 COC1=C(C=C(C=C1)C2CC(=O)C(=CNCCO)C(=O)C2)OC 1 0.423 1 5 0 -16.1741109236225 1713819 CCOC(=O)NC(=O)/C(=C\C1=CC=CC=C1)/C#N 1 2.121 2 3 -12.2737411165272 1713718 C1=CC=NC(=C1)C(=O)NCCCC(=O)O 1 0.366 2 3 0 -17.0211195563008 1713692 C1COCCN1CN2C3=CC=CC=C3C4=CC=CC=C42 1 3.337 2 1 -3.58835424080744e-002 1713612 C1CN(CCN1C2=CC=C(C=C2)Cl)C3=NC(=NC=C3)Cl 1 3.281 4 0 6.08386707112881 1713610 C1CN(CCN1C2=NC(=NC=C2)Cl)C3=CC=CC=C3Cl 1 3.281 4 0 4.96975708233906 1713605 C1=CC=C(C(=C1)C#N)N/C=C/C(=O)C2=CC=C(C=C2)Cl 1 3.586 2 1 0.653027719957836 1713582 C1=CC(=CN=C1)CN/C=C/C(=O)C2=CC=C(C=C2)Br 1 2.369 2 1 -1.89346395252535 1713558 CC1(CC(=O)C(=CNCCCO)C(=O)C1)C 1 -0.308 1 3 0 -10.829946503729 1713557 C1=CC=C(C=C1)C2=C(C(=NC(=N2)Cl)C3=CC=CC=C3)N 1 4.054 3 0 4.75660384051317 1713545 C1C(=O)/C(=C/NC2=CC=CC=C2O)/C(=O)N1 1 -1.9e-002 2 3 0 -2.085063182767 1713526 COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CCOCC3)OC 1 1.979 3 3 0 -1.25255573535294 1713519 CN1CCN(CC1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)Cl 1 2.249 4 2 3.31593578337349 1713515 COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CCCCC3)OC 1 3.209 3 2 0.336530387359831 1713479 CCOC1=CC=C(C=C1)S(=O)(=O)NCCCl 1 1.738 1 3 0 -6.98301189906818 1713453 C1=CC=C2C(=C1)N=C(O2)/C(=C/NC3=CC=CC=C3O)/C#N 1 2.686 3 2 0.851983470723313 1713451 CC(=O)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C#N 1 3.064 1 3 -6.85832081445111 1713379 CC1=CC=C(C=C1)S(=O)(=O)N(CCC#N)CCN2CCCC2 1 2.011 3 2 -10.4848273007547 1713367 CC1=CC(=NC(=N1)Cl)OC2=CC=C(C=C2)C(=O)OC 1 3.144 2 3 -2.85464176098693 1713356 CC1=CC(=C(C=C1)N)C(=O)CCCCC(=O)O 1 2.067 1 3 -5.76002692164564 1713354 C(CSC1=C(C(=C(C(=C1SCCO)F)SCCO)SCCO)F)O 1 2.25 0 4 -1.07959904772032 1713300 COC(=O)C1=CC=CC=C1NC2=NC(=NC=C2)Cl 1 2.214 3 2 -5.29096457700816 1713220 COC(=O)CCC(=O)NNC(=O)C1=CC=C(C=C1)Br 1 1.026 2 4 0 -16.5019977323904 1713214 CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)NCCOC 1 1.324 2 3 0 -13.1631317093198 1713194 CN(C)CCNC(=O)C(=O)NC1=CC(=C(C=C1OC)Cl)OC 1 1.074 3 4 0 -13.8547570619948 1713166 CCOC(=O)N1CCN(CC1)C(=O)C(=O)NN 1 -1.556 4 4 0 -8.88863470167957 1713156 CC(C)(C(=O)NCC(=O)OC)OC1=CC=C(C=C1)Cl 1 2.04 1 4 -7.54071160578529 1713149 CC1(OC(=O)C(=CNCCC2=CC=C(C=C2)O)C(=O)O1)C 1 1.036 1 5 0 -5.60815511723843 1713148 C1CCC2=C(C1)C=C(C(=S)N2)C#N 1 2.177 2 0 -9.1962260479264 1713089 C1=CC(=CC=C1C(=O)/C=C/NC2=C(C=C(C=C2)F)F)Br 1 4.202 1 1 2.34178849670755 1713079 CCCCCCCCS(=O)CCC(=O)O 1 2.566 0 3 -4.59599984236397 1713063 COC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NC4=CC=CC=C4S3 1 2.837 7 3 0 -23.7449163082809 1713055 CC(C)(C)NC(=O)C(=O)NNC(=O)C1=CC=CC=C1Br 1 1.24 3 3 0 -13.0767784665792 1713041 C1=CC(=CC(=C1)Cl)NC(=O)C(=O)NN=CC2=CC=CS2 1 2.567 3 2 -5.37450625657746 1712970 CC(C)(C)C(=O)/C=C(/C1=CC=CC=N1)\N 1 1.655 2 1 0 -4.96764098018418 1712965 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NN=C(S3)N 1 0.83 9 3 0 -28.7192523754549 1712927 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C(=O)NC3=CC=CC=C3Cl 1 2.382 3 4 0 -8.1320365867603 1712911 C1COCCN1CCCNC2=C(C(=O)OC3=CC=CC=C32)N 1 -0.173 3 3 0 -4.05668871387798 1712908 C1=CC2=NC(=C(C(=O)N2C=C1)C=O)SCCO 1 5.7e-002 2 3 0 -10.6982749923433 1712887 C1=CC=C(C=C1)CNC2=NC(=NC=C2)Cl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l)NCCC#N)C(=O)O)Cl 1 2.576 2 2 -4.15609216408404 1712514 C1=CC=C(C=C1)/C=C/C=C/C2=CC=CC=N2 1 3.561 1 0 5.40478950437758 1712511 C1COCCN1C(=O)C(=O)C2=CNC3=CC=CC=C32 1 1.11 2 3 0 -6.52318302385709 1712501 C1=CC=C(C(=C1)C=NN=CC2=CC=CC=C2N)N 1 2.001 4 0 1.55059284064395 1712494 C1=CC=C(C=C1)OS(=O)(=O)C2=CN=CC=C2 1 1.814 1 3 0 -10.3448115246659 1712347 C1=CC(=CC=C1N)S(=O)(=O)CCC#N 1 0.588 2 2 0 -9.39823043884831 1712345 CC(C)(CNS(=O)(=O)C1=CC=CC2=NSN=C21)CN(C)C 1 1.922 4 2 0 -6.36254751038031 1712296 C1=CC=C2C=C(C=CC2=C1)/C=C(/C3=CC=CC4=CC=CC=C43)\C(=O)O 1 5.222 0 2 1.34338897905276 1712277 C1=CC(=CC(=C1)[N+](=O)[O-])C(=NN)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.585 4 4 0 -3.54345508209715 1712195 COC1=CC=C(C=C1)N(CCC#N)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.15 2 3 -8.43564891567398 1712193 CCCCC1=CC=C(C=C1)CC(=O)O 1 3.349 0 2 -4.70261363279851 1711910 CN(C)C1=CC=C(C=C1)N/C=C/C(=O)C(F)(F)F 1 2.619 2 1 -4.89453766861266 1711905 C1=CC=C2C(=C1)N=C(S2)SCC(=O)NNC(=S)NC3=CC=C(C=C3)Cl 1 4.957 4 1 -9.37229130145596 1711885 C1=CC=C(C=C1)/C=C/C=NNC(=O)C2=CN=CC=C2 1 1.892 3 1 0 -2.18095117147533 1711876 CCO/C(=C/C1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-])/C 1 1.676 1 4 0 -6.38958558287808 1711870 CC\1(C2=CC=CC=C2N(/C1=C/C=NN3C=NN=C3)C)C 1 1.932 5 0 0 11.6674731347917 1711800 COC1=C(C=C(C(=C1)CC(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC 1 2.474 4 7 0 -11.5117442072142 1711770 CCCCP(=O)(CCCC)CC1=CC=CC=C1 1 4.488 0 1 -2.16782754843296 1711760 CCCP(=O)(CCC)CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 5.212 0 2 -4.35921886652296 1711680 C1=CC=C(C=C1)N/C=C/C2=[N+](C3=C(O2)C=CC4=CC=CC=C43)CCCS(=O)(=O)[O-] 1 1.657 2 4 0 -1.05645470858421 1711675 C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=[N+]3CCCS(=O)(=O)[O-])/C=C/NC4=CC=CC=C4 1 2.267 2 4 4.32209279988404 1711644 CCN(CC)C(=O)COC1=C(OC2=CC=CC=C2C1=O)C3=CC=CO3 1 2.182 1 5 -4.48443625084074 1711492 C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NNC(=N3)N 1 2.298 4 2 0.836361055064844 1711490 C1=CSC(=C1)C(=O)CSC2=NNC(=N2)N 1 1.657 4 1 0 -6.62577117757283 1711484 C1=CC(=CC=C1C(=O)CSC2=NNC(=N2)N)F 1 1.909 4 1 0 -1.69882129276258 1711476 CC(=O)COC1=C(OC2=CC=CC=C2C1=O)C3=CC=CO3 1 1.801 0 5 0 0.699732602962147 1711224 CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)F 1 3.013 1 3 -8.08946065888928 1711221 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)F)Br 1 3.275 1 3 -7.22572183128038 1711167 C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=CC=C2Cl 1 2.046 2 4 -14.6794479983487 1711150 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OCC(=O)NC2=CC=CC=C2Cl 1 3.404 1 6 0 -8.84443729373145 1736640 COC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2)OC 1 3.202 1 3 -14.226075150781 1736531 CCOC(=O)C(=NNC1=C(C=C(C=C1Br)Br)Br)C(=O)C 1 4.226 2 3 3.03673256260267 1736526 C1=CC=C(C=C1)C(=O)C(=NNC2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl 1 5.564 3 2 -2.26462628806027 1736518 C1=CC=C(C=C1)C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC=CC=C3 1 3.327 3 2 -3.83024239610063 1736507 CN(C)CCCNC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C32 1 2.732 3 1 -1.92469112230078 1736457 CCN1C2=CC=CC=C2/C(=C/N(C)C)/C1=O 1 1.308 2 1 0 -3.40872271884974 1736409 CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)CCBr 1 2.299 3 2 -14.947651032794 1736396 CCCCN1C2=CC=CC=C2N=C(C1=O)CC(=O)C 1 2.279 2 2 -9.90449854657332 1736387 COC1=C(C=C(C=C1)CN/C=C\2/C(=O)CNC2=O)OC 1 -8.1e-002 2 4 0 -11.0301988613628 1736381 CCOC(=O)C1=C(N(C2=C1C3=C(C=CC(=C3)Br)C(=O)C2=O)C)C 1 3.497 1 4 1.1024868875253 1736341 CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=O)C(=O)C4=CC=CC=C43 1 4.094 0 4 0.986571234561027 1736296 C1C/C(=C(/C#N)\C(=O)N)/N(C1)CC2=CC=CC=C2 1 1.371 3 1 0 -7.69776404357259 1736294 CCOC(=O)C1=C(NC2=C1C3=CC=CC=C3C(=O)C2=O)C 1 2.543 1 4 -3.14809760555869 1736284 C1=CC2=C(C=C1Br)C(=NC(=N2)Cl)N 1 2.784 3 0 4.61826765974388 1736277 CC1=CC2=C(C=C1)N3CCN(C4=CC=CC2=C43)C(=O)C 1 3.16 2 1 3.17984473992858 1736274 C1C(=O)/C(=C\C2=CC=CC=C2)/C(=O)N1 1 0.882 1 2 0 -4.4501025840858 1736271 C1=CC=C(C=C1)CN/C=C\2/C(=O)/C(=C\C3=CC=C(C=C3)Br)/NC2=O 1 2.597 2 2 -6.73065629670424 1736240 CC1=C(N(C2=C1C=C(C=C2)C(=O)OCCCN(C)C)CC3=CC=CC=C3)C 1 4.601 2 2 -2.08676817006512 1736237 CCOC(=O)C(=CNC1=CC(=C(C(=C1)Cl)C2=CC=CO2)Cl)C(=O)OCC 1 4.25 1 5 1.86036833078937 1736218 CC1=CC2=C(C=C1)N3CCN(C4=CC=CC2=C43)CCC(=O)N 1 3.098 3 1 -8.81542545345484e-002 1736194 C1C2CC3CC1CC(C2)(C3)N/C=C\4/C(=O)CNC4=O 1 0.512 2 2 0 -4.145213600416 1736179 C1C(CC(=O)C(=CNCCCO)C1=O)C2=CC=CC=C2 1 0.518 1 3 0 -10.0421789162161 1736158 CCOC(=O)C1=C(N(C2=C1C3=C(C=CC(=C3)Br)C(=O)C2=O)C)COC 1 3.233 1 5 0.481413312755358 1736142 C1=CSC(=C1)CCCOC(=O)CCCCC(=O)N 1 2.044 1 3 -12.7368299880915 1736100 C1CCN(CC1)CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 2.424 4 2 2.26427966645812 1736078 C/C(=C\C(=O)O)/C(=O)NC1=NC=CS1 1 0.637 2 3 0 -3.58952961766965 1736076 C/C(=C\C(=O)O)/C=C/C1=CC=CS1 1 2.795 0 2 -0.205693985059564 1736061 CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)N 1 5.1 1 1 -3.29546450127192 1736002 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C 1 2.304 5 5 0 -15.0494052765822 1735927 CCCCOC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2 1 4.255 1 2 -8.93598519497517 1735916 C1=CC=C(C=C1)C2=NNC(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=NC=C5 1 3.596 4 0 -1.69646568054764 1735909 CCN(CC)C(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CCCOC 1 2.844 3 3 -34.0735764074095 1735895 CCC1=CC=C(C=C1)OCC(=O)NNC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C 1 3.495 4 3 0 -14.1919440181685 1735885 CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NNC(=O)COC3=CC=CC4=CC=CC=C43 1 3.531 5 3 0 -12.3848756973279 1735884 CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NNC(=O)COC3=CC=CC(=C3)C 1 3.109 5 3 0 -11.8322183832865 1735862 CCOC(=O)CNC(=O)CSC1=NN=C(N1C)CCC2=NC3=CC=CC=C3N2 1 1.515 6 3 0 -22.416241361191 1735846 C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=C(CCC5=CC=CC=C54)C(=N3)C(F)(F)F)C#N 1 6.717 4 1 -19.3863697694144 1735845 CC1=NN=C(N1CCCOC)SCC(=O)NC2=CC=C(C=C2)C(=O)C 1 1.051 4 3 0 -23.977915798138 1735487 CC1=C(SC2=C1C(=NC=N2)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)C 1 6.196 3 1 -2.38639385067028 1735482 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=NC=C6 1 6.027 5 1 -4.33001871348618 1735350 CCOC(=O)CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)CC4=CC=CC=C4 1 5.404 4 3 0 -20.185104703802 1735203 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=NC3=CC=CC=C3)S2)C4=CC=CC=C4)OCC(=O)O 1 5.359 2 5 0 -13.9901919155326 1735107 CSC1=N/C(=C\C2=CC=C(C=C2)F)/C(=O)S1 1 3.613 1 1 -7.09991943835764 1735105 CSC1=N/C(=C\C2=CC=CC=C2F)/C(=O)S1 1 3.613 1 1 -6.29140028313322 1735073 CCCCC(=O)NC1=C(C=CC(=C1)C(=O)NCCC2=CC=CC=C2)Cl 1 4.306 2 2 -15.0425682685343 1735048 CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CC3=CC=CS3 1 3.873 2 2 -10.0641502811762 1734984 CCOC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4 1 5.506 2 3 -16.5602971872443 1734982 CCOC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4 1 6.171 2 3 -16.480368493978 1734838 CCCCN1C2=CC=CC=C2NC1=O 1 2.227 2 1 -5.09228981521601 1734832 CCCCN1C=NC2=C1C=CC(=C2)NCC3=CC=NC=C3 1 3.121 4 0 -6.37356378484302 1705641 C1=CC(=CC(=C1)Br)CSC2=NNC(=N2)N 1 2.779 4 0 -3.22645265680656 1704748 CC1=C(SC2=C1C(=NC=N2)SCC#N)C 1 2.555 3 0 -8.93688288338122 1698492 CCN(CC)C(=O)CN1C2=CC=CC=C2C(=O)C1=O 1 0.839 2 3 0 -5.84161458900167 1696267 C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(O3)Br)OCC(=O)N 1 1.641 1 5 0 -2.87995771416843 1696227 CC(=O)OC1=C(OC2=CC=CC=C2C1=O)C3=CC=C(O3)Br 1 2.571 0 5 -1.00019144784275 1696002 C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Cl)OCC(=O)O 1 2.97 0 5 -1.02377963805492 1695962 CC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(=O)O 1 2.792 0 5 -2.84577832864173 1695925 C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CO3)OCC(=O)N 1 1.073 1 5 0 -0.247765140274068 1695907 C1CCN(CC1)C(=O)COC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CO4 1 2.698 1 5 -5.58766879823302 1695874 C1=COC(=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OCC#N 1 2.245 1 4 -2.7339694260754 1695868 COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CO3 1 2.515 0 4 1.91314467760351 1695600 C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OCC(=O)N 1 1.973 1 4 0 -3.70285292807663 1690080 CC1=CC=CC=C1NC(=O)COC(=O)CCC2=CC=CC=C2 1 3.299 1 3 -12.6252470162266 1689835 CC(=O)OC1=C(OC2=CC=CC=C2C1=O)C3=CC=CO3 1 2.003 0 5 1.63200112605162 1689085 CCCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCC)C 1 2.113 3 4 0 -28.4387151502869 1689084 CCN(CC)C(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCC)C 1 1.688 3 4 0 -24.6683192419438 1685442 CC1=CC2=NN=C(N2C3=CC=CC=C13)SCCCCN4C(=O)C5=CC=CC=C5C4=O 1 4.834 4 2 -10.272883267607 1679832 COC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 4.379 1 4 -2.0672507787616 1679624 C1=CC=C(C=C1)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.657 1 3 -7.1176793074073 1679565 C1=CC(=CC(=C1)Cl)NC(=O)COC(=O)C2=CC=CS2 1 2.939 1 3 -7.59267511892992 1679438 CC1=CC=CC=C1NC(=O)CCC(=O)NN=CC2=CC=NC=C2 1 1.354 4 2 0 -11.4927317876342 1679478 C1=CC=C(C=C1)NC(=O)CCC(=O)NN=CC2=CN=CC=C2 1 0.868 4 2 0 -8.9814207763402 1679475 C1=CC=C(C=C1)NC(=O)CCC(=O)NN=CC2=CC=CC=C2F 1 2.224 3 2 -7.79182306678591 1679472 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CCC(=O)NC3=CC=CC=C3 1 1.787 3 4 0 -10.576708444982 1679470 C1=CC=C(C=C1)NC(=O)CCC(=O)NN=CC2=CC=CO2 1 1.414 3 3 0 -9.3406719697683 1679466 C1=CC=C(C=C1)NC(=O)CCC(=O)NN=CC2=CC=NC=C2 1 0.868 4 2 0 -9.08469315001522 1679448 CC1=CC=CC=C1NC(=O)CCC(=O)NN=CC2=CN=CC=C2 1 1.354 4 2 0 -11.3894594139591 1679406 CC1=CC(=CC=C1)NC(=O)CCC(=O)NN=CC2=CC=NC=C2 1 1.354 4 2 0 -7.04039345831275 1679259 C1=CC(=CC(=C1)Br)C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)F 1 2.973 3 2 -5.56766335770101 1679083 CC1=C(C=CO1)C(=O)NN=CC2=CN=CC=C2 1 0.782 3 2 0 -3.59840943040048 1678952 CC(=O)OC1=C(C=C(C=C1)C=NNC(=O)NC2=CC=CC=C2)OC 1 2.342 3 4 0 -7.53242586072424 1678884 CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=O)COC3=C(C(=CC(=N3)C)COC)C#N 1 3.458 5 6 0 -9.25916371642707 1678792 CCN(CC)CCCNC(=O)/C=C/C(=O)O 1 -2.519 2 3 0 -8.90543918474505 1678873 CC1=NC(=C(C(=C1)COC)C#N)OCC(=O)NN=CC2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.636 5 6 0 -8.61840674747312 1678864 CC1=NC(=C(C(=C1)COC)C#N)OCC(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.972 5 6 0 -10.5307950665787 1678754 CN1CCN(CC1)C(=O)/C=C\C(=O)O 1 -3.255 2 3 0 -2.77622585726141 1678622 CC1(CC2=CC(=C(C=C2C(=N1)NNC(=O)C3=CC=C(O3)Br)OC)OC)C 1 2.719 3 4 0 -7.89542514017605 1678442 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NN 1 1.25 3 2 0 -14.7755097606107 1678245 CC(C)COC(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2 1 4.289 1 3 -9.3738473793687 1678166 C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)C3=CC(=CC=C3)Br 1 4.992 2 2 -2.27102406276117 1677909 CC1=CC=C(O1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CC=C4 1 2.357 8 3 0 -24.005444400062 1677704 CC(=C)CN1C(=NNC1=S)CCN2C3=CC=CC=C3C4=CC=CC=C42 1 4.964 4 0 -9.15169972510365 1677703 C=CCN1C(=NNC1=S)CCN2C3=CC=CC=C3C4=CC=CC=C42 1 4.517 4 0 -9.17834062022104 1677067 C1=CC=C(C(=C1)NNC(=O)C(C2=CC(=CC=C2)C(F)(F)F)(C3=CC(=CC=C3)C(F)(F)F)O)Cl 1 6.114 2 2 -5.69987137101487 1676890 C1COCCN1C2=NC(=NC(=N2)NN=C/C=C/C3=CC=CC=C3)N4CCOCC4 1 1.31 7 2 0 1.45340552357095 1676458 CC1=C(C=C(C=C1)C(=O)N2CCCCC2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl 1 3.671 3 3 -5.56951196323707 1676269 C/C(=C/C1=CC=CC=C1)/C=NNC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4 1 4.215 7 0 0 -4.37602995386084 1676266 C/C(=C\C1=CC=CC=C1)/C=NNC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4 1 4.215 7 0 0 -4.37602995386084 1676177 CC\1(C2=CC=CC=C2N(/C1=C\C=NC3=CC=C(C=C3)N(C)C)C)C 1 4.476 3 0 15.0173548375444 1676176 CC\1(C2=CC=CC=C2N(/C1=C/C=NC3=CC=C(C=C3)N(C)C)C)C 1 4.476 3 0 15.0173548375444 1676037 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=CC4=CC=CC=C4OC3=O 1 4.64 1 5 -12.1259028685219 1675866 CN1C=C(C(=N1)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] 1 1.55 6 5 0 -9.64956442419371 1675852 COC1=CC=CC=C1C(=O)NCC(=O)NN=CC2=CC3=C(C=C2)OCO3 1 1.494 3 5 0 -16.3136067400324 1675849 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CNC(=O)C3=CC(=CC=C3)Br 1 2.259 3 4 0 -13.721069923253 1675806 CC(=C)CNC(=S)NNC(=O)CCN1C2=CC=CC=C2C3=CC=CC=C31 1 4.282 4 1 -11.6171830783714 1675688 C1COCCN1C2=NC(=NC(=N2)NN=C/C=C/C3=CC=CC=C3Cl)N4CCOCC4 1 1.974 7 2 0 2.42026271786437 1674390 CC1=C(C=CC(=C1)Cl)OCCCC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 4.133 3 4 0 -6.16247517594 1674237 CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(=O)NNC(=O)CN3CCN(CC3)C)O 1 2.072 4 3 0 -10.0462723329422 1674002 COC1=CC(=C(C=C1)C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)F)OC 1 2.191 3 4 0 -7.53042374755415 1672812 CC1=C(C=CC(=C1)Cl)NC(=O)CCC(=O)NN=CC2=CN=CC=C2 1 2.019 4 2 -8.7565582860897 1672531 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC=NC=C2 1 2.086 2 3 -13.7104765108798 1672485 C1=CC=C(C=C1)/C=C/C=NNC(=O)CNC(=O)C2=CC(=CC=C2)F 1 2.308 3 2 -6.99858594850507 1672419 C=CCNC(=S)NN=CC1=CC=C(O1)C2=C(C=CC(=C2)Cl)Cl 1 5.382 3 1 -3.49423937224354 1669174 C1=CC=C(C=C1)S(=O)(=O)/C(=C\C2=CC=C(C=C2)F)/C#N 1 3.189 1 2 -5.95261831502517 1668622 CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CC=CO3)C 1 3.207 3 3 -11.5701889555147 1667653 COC1=CC=C(C=C1)NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.189 2 6 0 -9.93059158503955 1667614 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC=C2F)Br 1 3.275 1 3 -9.36086300077171 1665919 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C4=CC=CC=C4 1 3.665 3 4 0 -21.4730316157428 1665552 COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC=CS2)OC 1 2.57 1 5 -17.9369577090335 1662626 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OCC(=O)NC3=CC(=CC(=C3)Cl)Cl 1 3.104 2 5 0 -13.0272846330113 1662563 COC1=C(C=C(C=C1)CCNC(=O)COC(=O)COC2=CC=C(C=C2)Cl)OC 1 3.116 1 6 0 -14.7014866778033 1662426 CC1=CC=C(C=C1)NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.692 2 5 0 -9.58866832453045 1660565 CC(C)C1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 3.878 2 5 0 -8.77932346945333 1659194 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C=C(OC4=CC=CC=C43)C5=CC=C(C=C5)OC 1 4.05 3 3 -6.57267773417751 1658938 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3OC 1 2.692 3 5 0 -16.7654474994693 1657161 CCCCNCC(=O)NC1=C(C(=C(S1)C)C)C(=O)OCC 1 2.371 2 3 -15.1931014414728 1657133 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCC(CC2)C 1 2.747 2 3 -16.4771019448501 1656924 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)NCCCO 1 2.515 2 3 -17.7025086801702 1656006 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC 1 2.868 3 7 0 -13.1203206257547 1655911 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=CC=CC=C2C(=O)OC 1 2.888 1 6 0 -13.4724423855767 1654291 C1=CC=C(C=C1)C2=CC3=C(N=CN=C3S2)NCCCO 1 2.792 3 1 3.60169015927076 1653786 C=CCOC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2 1 3.933 0 3 -13.9648386659643 1653629 CC1=CC(=CC=C1)OCCCSC2=NC3=CC=CC=C3N2 1 4.609 2 1 -0.567511706972508 1653627 CC1=CC=CC=C1OCCCSC2=NC3=CC=CC=C3N2 1 4.609 2 1 -1.391954983173 1653621 CCCOC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2 1 4.868 2 1 -3.14907004765767 1653580 CC(C)N1C2=CC=CC=C2NC1=O 1 1.625 2 1 0 -4.66953286547325 1653579 C1CCC(CC1)N2C3=CC=CC=C3NC2=O 1 2.757 2 1 -4.3264605065842 1653162 COC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC=CS2 1 2.61 3 3 -10.9694187354394 1653161 COC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC=CO2 1 2.052 3 4 0 -9.97841841105991 1653134 COC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.608 3 6 0 -13.7097550147307 1653133 COC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.474 3 3 -4.01898059747891 1653069 C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3Br 1 4.154 2 2 -11.7632487605328 1653000 CC(=O)N(C1=CC2=C(C=C1)OC(=O)S2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O 1 2.653 1 7 0 -7.56380393872142 1652909 CN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)NC4=O 1 2.016 2 5 0 -19.1260690932506 1652876 CN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 1.016 3 5 0 -21.6900628293229 1652870 CCCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C 1 2.3 3 5 0 -21.4505567639304 1652866 CCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 1.365 3 5 0 -23.718765496429 1652832 CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)C)C)S(=O)(=O)C3=CC=C(C=C3)C(=O)O 1 3.249 1 7 0 -21.0297954418571 1652712 C1=CC=C2C(=C1)C=CC=C2NS(=O)(=O)C3=CC=CC(=C3)C(=O)O 1 2.855 1 4 -5.48320954673368 1652572 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 1.55 2 5 0 -11.0915138772803 1652556 CC1=NN(C=C1)C(=O)C2=CC3=CC=CC=C3OC2=O 1 2.24 2 3 -9.2033478757392 1652555 C1=CC(=C(C=C1O)O)C(=O)NNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O 1 2.166 2 6 0 -5.27335361557607 1652551 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)OCC 1 2.249 2 3 -16.0971931571098 1651326 COC1=CC=CC=C1/C=C/C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.916 2 3 -5.47749650301605 1650639 C1=CC=C2C(=C1)C=CC3=NN=C(N32)SCC#N 1 2.755 4 0 -11.2755307078474 1650195 C1=CC(=CC=C1C=NNC(=O)CNC(=O)C2=CC=NC=C2)Br 1 1.34 4 2 0 -12.7942158476136 1649935 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.228 4 2 -12.701103756092 1649614 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCC(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 2.902 3 4 0 -18.4554977397299 1649451 CC1=CC(=CC=C1)OCC(=O)NCC(=O)NN=CC2=CC=CC=C2 1 2.064 3 3 -11.2374616066962 1649256 CN1C(=O)C=C(N(C1=O)C2=CC=CC=C2)N 1 0.757 3 2 0 -5.39394228525997 1649246 CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2)N 1 0.764 3 2 0 -4.76862678063177 1649169 CCCCCCCCCC(=O)NN1C=NC2=CC=CC=C2C1=O 1 3.985 3 2 -9.66264010676956 1649167 CC1=NC2=CC=CC=C2C(=O)N1N=C/C=C/C3=CC=CC=C3 1 3.04 3 1 6.23976952906458e-003 1649121 CCOC(=O)C(=O)NNC1=CC=CC=C1OC 1 1.306 2 4 0 -4.93470798343833 1649108 CC(C)C(C(C)C)(C(=O)NN(C1=CC=CC=C1)C(=O)OC)O 1 2.778 2 4 -15.0211225000731 1649106 CCCC(CCC)(C(=O)NN(C1=CC=CC=C1)C(=O)OC)O 1 3.052 2 4 -19.7852979043397 1648923 COC1=CC=C(C=C1)OCCSC2=NNC(=N2)N 1 2.063 4 2 -1.42299077189419 1648669 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 1.34 4 5 0 -14.007006627135 1648597 C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=C2Br 1 3.077 1 3 -12.8651498414481 1648183 CCOC1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OC)OC 1 3.089 1 6 0 -13.7661325301972 1647605 CC1=NNC(=NC1=O)SCC2=CC=C(C=C2)CSC3=NC(=O)C(=NN3)C 1 2.44 6 2 0 -11.8351694573126 1647596 CC1=NNC(=NC1=O)SCCCCSC2=NC(=O)C(=NN2)C 1 1.564 6 2 0 -12.4972515703346 1647590 CCCCC1=NN=C(N1N)SCCSC2=NN=C(N2N)CCCC 1 3.069 8 0 0 -9.58690202870965 1647099 CCCCOC(=O)C1=C(C2=C(S1)N=C(C=C2C)C)N 1 3.237 2 2 -7.77884238277923 1646845 CC(C)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC 1 3.296 3 6 0 -15.8755703933826 1646829 CCNS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC 1 2.918 3 6 0 -11.0672182275844 1646814 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N 1 2.62 3 4 0 -3.76999882488885 1646808 C1=CC2=C(C=C1S(=O)(=O)N)SC(=N2)NC(=O)C3=CC=NC=C3 1 0.794 4 3 0 -8.68411464306365 1646798 CC1=CC(=NC(=N1)NCCCN2CCOCC2)C 1 0.362 4 1 0 -3.34448511004042 1646761 CCOCCCNC1=C(C(=O)NN=C1)Cl 1 -0.421 3 2 0 -11.7071092149356 1646757 CCCCN(CCCC)C1=C(C(=O)NN=C1)Cl 1 2.492 3 1 -6.44534266535263 1646756 C1=NNC(=O)C(=C1NCCCO)Cl 1 -1.178 3 2 0 -5.5806686602575 1646210 C1CC(=O)C(=NNC2=CC3=C(C=C2)OCO3)C(=O)C1 1 1.781 2 4 0 -8.94027357540793 1646189 COC1=CC=CC(=C1OC)C=NNC(=O)CCNC2=NNC(=O)NC2=O 1 -0.516 6 5 0 -22.4217730856871 1646183 COC1=CC(=C(C=C1)C=NNC(=O)CCNC2=NNC(=O)NC2=O)OC 1 -0.516 6 5 0 -21.4113569868218 1646077 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 1.97 4 7 0 -20.4660322397671 1645868 CC1=CC(=C(C=C1)C)NC(=O)COC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=CC=C4OC 1 5.614 1 5 -5.45658868152545 1645757 CCOC(=O)C1=CN=C2C(=C(C=CC2=C1NCCCN3CCOCC3)C)C 1 2.89 3 3 -4.454812207638 1645708 CCNCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OCC 1 3.265 3 3 -4.77172709116382 1645174 CCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C#N 1 5.436 2 1 -4.95758901602487 1644718 CCOC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 3.861 2 3 -5.04593050610146 1644659 CC1=CC(=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C 1 3.841 2 3 -6.33804503137365 1644530 CC1=CC(=C(C=C1)OCCCC(=O)NCC2=CC=CO2)C 1 3.18 1 3 -12.5857308708513 1644451 CC1=CC(=C(C=C1)OCCCC(=O)N2CCOCC2)C 1 2.308 1 3 -8.01412283870082 1644327 COCCNC(=O)/C=C/C1=C(C=CC=C1Cl)Cl 1 2.703 1 2 -10.371627569319 1644311 C1=CC(=CC=C1C(=O)CSC2=NNC(=N2)N)[N+](=O)[O-] 1 1.598 5 3 0 -4.50509610558506 1643828 CCCCOC1=CC=CC=C1NC(=O)C=C(C)C 1 3.808 1 2 -6.09466166769451 1643509 CCOC(=O)C1=CN=C2C(=C1NCCCN3CCOCC3)C=CC=C2C(F)(F)F 1 2.86 3 3 -5.21707968278713 1643486 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCOC(=O)C4=CC=NC=C4 1 3.236 4 2 2.43100596610553 1643484 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCOC(=O)C4=CN=CC=C4 1 3.236 4 2 0.70452293160103 1643479 CC(C)(C)C(=O)OCCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3 1 4.269 3 2 2.30472333045698 1643476 CC(=O)OCCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3 1 2.723 3 2 3.8374396727168 1643368 CN\1C2=CC=CC=C2S/C1=C\C(=O)COC 1 2.429 1 2 2.39092967789711 1643252 CCCOC1=CC=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)C)C 1 4.103 2 2 -10.2716197776225 1643019 CC1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3 1 3.381 3 4 0 -10.0027744724213 1643007 C1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3 1 2.895 3 4 0 -10.6594214814025 1642874 CCCCC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC 1 5.073 2 4 -12.3017538167129 1642872 CCCCC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C 1 5.575 2 3 -11.405774793785 1642695 CCC1=CC=CC2=C(C(=CN=C21)C(=O)OCC)NCCCN3CCOCC3 1 2.86 3 3 -6.60167444902663 1642599 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)CSC2=NNC(=O)NC2=O 1 1.28 5 3 0 -23.5526132367649 1642479 CC1=C(C=C(C=C1)NC(=O)CSCC#N)Cl 1 2.312 2 1 -10.4528521546164 1642477 CC1=CC(=C(C=C1Cl)OC)NC(=O)CSCC#N 1 2.296 2 2 -13.6772919931287 1642466 C1=CC=C(C=C1)NC(=O)CSCC#N 1 1.162 2 1 0 -11.0413621468985 1642427 C1COCCN1CCCNC2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl 1 3.436 4 1 10.0605017988667 1642421 COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O 1 0.423 1 5 0 -9.1856949975369 1642415 COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OCC(=O)NC4=CC=CC=C4C(F)(F)F)C(F)(F)F)OC 1 5.568 1 6 0 -7.24768781897052 1642413 COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OCC(=O)NC4=CC=CC=C4C(F)(F)F)C(F)(F)F 1 5.584 1 5 -5.91512702706544 1641544 COC1=C(C=C(C=C1)CCNC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O)OC 1 3.275 2 5 0 -18.5103178856839 1641475 COC1=CC(=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O)OC 1 2.947 2 5 0 -14.0768924479674 1641463 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)NC3=CC=CC=C3F 1 3.186 2 3 -10.9314782878124 1641461 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)NC3=CC=C(C=C3)F 1 3.186 2 3 -8.79633711832109 1641418 CCCCOC(=O)CSC1=NNC(=O)NC1=O 1 0.804 3 4 0 -23.0689736726703 1641287 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)O 1 1.468 2 6 0 -16.6392286388712 1641241 COC1=CC=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)NNC(=O)C3=CC=CC=C3O 1 2.682 3 5 0 -9.84569646324258 1641154 CN1CCN(CC1)C(=O)CCCN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=S 1 2.839 3 2 -11.7356237592346 1640930 CCCCOC(=O)NC1=C(C(=CC=C1)Cl)C 1 4.072 1 2 -4.01987589775487 1640927 CCCCOC(=O)NC1=CC=C(C=C1)C(=O)OC 1 2.777 1 4 -7.27420325629464 1640925 CCCCOC(=O)NC1=CC=CC(=C1)C(=O)C 1 2.662 1 3 -6.83103336267873 1640864 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NCCO 1 1.551 2 4 0 -13.7153412148338 1640618 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C/4\C5=CC=CC=C5N(C4=O)C)/SC3=S 1 2.837 4 3 0 -11.1365430750576 1640573 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C/C4=CC=CC=C4)/SC3=S 1 3.716 3 2 -11.983563597473 1640568 CN1CCN(CC1)C(=O)CCN2C(=O)/C(=C\C3=CC=C(C=C3)OC)/SC2=S 1 2.502 3 3 -12.649140725549 1640536 COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3)O 1 4.372 1 3 -2.82558295440205 1640288 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN(C3=CC=C(C=C3)Cl)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-] 1 4.597 4 7 0 -7.25433779845658 1640272 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)C 1 1.526 5 5 0 -14.0260766010839 1639804 CCN1C2=C(C=C(C=C2)NC(=O)N3CCOCC3)C4=CC=CC=C41 1 2.887 3 2 -4.35645151537095 1639652 CC1=NN=C(N1N)SCC(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)F 1 1.73 6 1 0 -17.471044636766 1639550 CCCCCCCC1=NNC(=S)N1CC2=CC=CC=C2 1 4.969 3 0 -4.84660941292139 1638876 CCOP(=O)(C(=NOC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C(=O)N)OCC 1 0.574 3 8 0 -7.38752334616284 1638841 CC1=CC=CC=C1C(=O)NC2=NN=C(S2)CC(=O)NN=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5 1 4.952 6 2 0 -17.3644869344173 1638797 CC1=CC=C(C=C1)NC2=NC(=O)/C(=C\C3=CC=CS3)/S2 1 4.219 2 1 -5.69363168751669 1638776 C1=CC=C(C=C1)/C=C/C=NNC(=S)N 1 2.16 3 0 1.20091389501896 1638458 CC1=CC(=CC(=C1)OCCNC(=O)C2=C(C=CC=C2OC)OC)C 1 3.609 1 4 -8.24591865716955 1638455 CC1=CC(=CC(=C1)OCCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C 1 3.593 1 5 -10.7551688499785 1638351 CCCCOC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC(=C3)C 1 4.878 0 6 -5.54072116918241 1638285 C1=CC(=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)Br 1 3.642 0 3 2.01378717124918 1637937 CC1=CC=CC=C1OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C 1 3.132 3 5 0 -18.8389550228462 1637932 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCOC3=CC=CC=C3 1 2.645 3 5 0 -19.4773107239072 1637858 COC1=CC=C(C=C1)OCCCC(=O)OC2=CC=C(C=C2)OC 1 3.633 0 5 -8.46146506882569 1637842 C1=CC=C2C(=C1)/C(=C/3\C(=O)N(C(=S)S3)CCS(=O)(=O)O)/C(=O)N2CC(=O)NC4=CC(=CC=C4)Br 1 2.957 3 6 0 -15.0149581223829 1637795 CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 2.991 3 9 0 -29.7858762740871 1637781 COCC1=NN=C(S1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O 1 1.451 4 4 0 -16.3665794722216 1637764 CCCCC1=NN=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.812 4 3 0 -14.150800280404 1637762 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.337 4 5 0 -4.57889574225 1637728 CC1=C(SC(=N1)NC(=O)CCCOC2=CC=C(C=C2)OC)C(=O)C 1 2.314 2 4 -11.1414665948589 1637692 CC1=C(SC(=N1)NC(=O)CCCOC2=CC=C(C=C2)Cl)C(=O)C 1 2.994 2 3 -8.76122512392841 1637653 CCCCCCCN(C1=CC=CC(=C1)C)C(=O)CCl 1 4.872 1 1 -6.44488831840422 1637640 CC1=CC=CC=C1OCCCC(=O)NC2=NN=CS2 1 1.979 3 2 0 -10.3313980283405 1637639 CC1=CC=CC=C1OCCCC(=O)NC2=NC(=C(S2)C(=O)C)C 1 2.816 2 3 -10.4331021254231 1637617 CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CCCOC3=CC=CC=C3 1 4.422 2 6 0 -10.5487965544774 1637599 CCCCC1=NN=C(S1)NC(=O)COC 1 1 3 2 0 -12.9682811307682 1637582 CC(=O)OCCCN1C(=O)C2=C(C1=O)C=C(C=C2)Br 1 1.512 1 4 0 -4.05397716952359 1637519 C1=CC=C2C(=C1)C(=NC(=N2)C(=O)NCCO)NCCO 1 -0.506 4 3 0 -3.28855458579234 1637498 CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(=O)NN=CC2=CC=C(O2)S(=O)(=O)[O-] 1 1.897 2 6 0 -12.4244939402482 1637437 CCCCC1=NN=C(S1)NC(=O)C=C(C)C 1 2.81 3 1 -9.37013630719937 1637325 COC1=CC=CC=C1OCCCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.852 2 4 -11.32316998492 1636997 CC1=CSC(=N1)NC(=O)CCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 3.165 3 2 -15.1655653881271 1636992 C1=CC(=CC(=C1)O)NC(=O)CCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 3.643 2 3 -11.5959551198804 1636867 CC1=CC(=O)N=C(N1)N=C(N)NC2=CC=CC3=CC=CC=C32 1 1.436 5 1 0 -11.1333441799846 1636836 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl 1 5.955 3 3 -17.0579849314317 1636796 CC1=NC2=CC=CC=C2C3=C1C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O 1 2.537 2 4 -7.87898591126722 1636776 C1COCCN1CCNC=C2C(=O)C3=CC=CC=C3C2=O 1 0.549 2 3 0 -6.73571752928052 1636769 CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4)[N+](=O)[O-])Cl 1 5.659 3 4 0 5.34697415575716 1636749 COC1=C(C=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NN)OC 1 1.217 3 4 0 -18.853438316183 1636748 CC1=CC(N2C3=C(C=C(C=C13)OC(=O)C4=CC=CO4)C(=O)C2=O)(C)C 1 2.953 1 5 -5.53409394544822 1636605 CC1=CC(=CC(=C1O)C)S/C(=C(\C(=O)OC)/C(F)(F)F)/F 1 4.589 0 3 3.59195540555843 1636485 CC1=CC(=NO1)NC(=O)CCN2C(=O)/C(=C\C3=CC=CC=C3Cl)/SC2=S 1 3.734 3 3 -19.2287227887846 1636484 CC1=CC(=NO1)NC(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S 1 3.734 3 3 -19.2287227887846 1636480 C1=CC=C(C=C1)NN2C(=O)/C(=C/C3=CC=NC=C3)/SC2=S 1 3.495 3 1 -3.86883050986819 1636339 CC1=C(C=C2C(=C1)C3=C(C(N2C(=O)CSC4=NCCS4)(C)C)SSC3=S)C 1 5.792 2 1 -29.301185746821 1636202 CC1=NN=C(S1)SCC2=CC(=O)N=C(N2)N=C(N)NC3=CC=CC=C3 1 1.103 7 1 0 -18.9164874520573 1636228 CN1C(=NC(=N1)[N+](=O)[O-])SC2=NN=NN2C3=CC=C(C=C3)C(=O)O 1 1.929 8 4 0 -13.8397915438637 1636145 C1=CC=C(C=C1)/C=C(/C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4)\Br 1 5.242 6 0 -2.72199244504329 1636023 CCCCN(CC1=CC2=C(C=CC(=C2)C)NC1=O)C(=O)C3=CC=CC=N3 1 3.303 3 2 -13.4006366135988 1635950 CCCCNC(=O)CC1=C(NC2=CC=CC=C2C1=O)O 1 2.184 2 3 -13.780221956799 1636055 C1CC2=CC=CC=C2N=C(C1)NCCCC(=O)O 1 2.043 2 2 -12.6880551638774 1636052 COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC=C 1 2.796 4 3 0 -9.07340046451656 1636038 C1CCN(CC1)CCN2C3=CC=CC=C3N\4C2=NC(=O)/C4=C\C5=CC=C(O5)[N+](=O)[O-] 1 3.202 5 4 0 -5.822032176908 1636036 C1CCN(CC1)CCN2C3=CC=CC=C3N\4C2=NC(=O)/C4=C/C5=CC=C(O5)[N+](=O)[O-] 1 3.202 5 4 0 -5.822032176908 1635730 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NN=C(S3)N 1 1.42 8 1 0 -7.46043730175745 1635764 CC1=C(C=CC=C1Cl)NC2=NC(=NC(=N2)N)CSCCO 1 2.202 5 1 -0.472239049226173 1635705 CC1=NN=C(S1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N 1 1.885 7 1 0 -12.5017788537219 1635288 CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=O)/C(=C\C4=C(NN=C4)C5=CC=CC=C5)/S3 1 4.778 5 1 -1.51341578795984 1635455 CC1=C([N+](=O)C2=C(N1[O-])CCCC2)C3=CC(=C(C=C3)OC)OC 1 1.578 2 4 0 -7.18627890628245 1635266 CCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)CC4=CC=C(C=C4)OC 1 4.242 4 2 -5.00918541057269 1635191 C1CCC(=CC1)CCN2C(=O)/C(=C/C3=CC=CC=C3OCC(=O)O)/C(=O)NC2=O 1 2.863 2 6 0 -12.4589601333158 1635091 CC1=CC=CC=C1N=CC=C2OC(C(O2)(C)C)(C)C 1 3.861 1 2 5.53905154091417 1635085 CN1C=NN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC5=CC=CC=C54 1 4.778 5 1 -19.4829053418171 1634749 COCCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3S2 1 3.213 1 2 -7.50984032487547 1634719 CCOC(=O)CC1=CC(=O)N=C(N1)N=C(N)NC2=CC=C(C=C2)OC 1 0.466 5 4 0 -14.8916594079584 1634708 CCOC(=O)N(C1=CC=CC=C1)NC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.91 2 4 -18.2404397097108 1634689 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC=CC(=C3)C 1 4.41 3 3 0.200684206603534 1634599 C=CCNC(=S)NNC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC24CCCC4 1 3.555 5 1 -15.7644578383356 1634592 CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)NCCO 1 1.356 3 4 0 -14.9444163734131 1634414 C=CCN1C(=O)/C(=C\C2=CC=C(O2)N3CCOCC3)/C(=O)NC1=S 1 1.955 3 4 0 -5.46230220688782 1634413 C=CCN1C(=O)/C(=C/C2=CC=C(O2)N3CCOCC3)/C(=O)NC1=S 1 1.955 3 4 0 -5.46230220688782 1634275 COC1=CC=CC=C1N2CCN(CC2)N=C/C(=C/C3=CC=CC=C3)/Br 1 3.989 3 1 -2.47902668789941 1633910 CCOCCC1=NN=C(S1)NC(=O)CC2=CC=CC=C2 1 1.717 3 2 0 -15.4691201634887 1633893 CC1=CC=C(C=C1)S(=O)(=O)N(CCCN(C)C)CC2=CC3=C(C=C2)OCO3 1 2.985 2 4 -8.88226590186279 1633723 C/C(=C\C1=CC=CO1)/C=NN2C(=NNC2=S)C3=NNC4=C3CCC4 1 3.748 6 1 0 -5.17784944126596 1633446 CCOCCC1=NN=C(S1)NC(=O)C2=CC=CS2 1 1.636 3 2 0 -14.8347419123039 1633309 CCCCCCCSC1=NC(=O)C=C(N1)N 1 2.932 3 1 -12.663738685285 1633306 CC1=CC(=O)OC2=C1C=CC(=C2)OCC#N 1 2.06 1 3 -8.17722471413524 1633230 CN\1C2=CC=CC=C2S/C1=C\C(=O)C3=CC=CS3 1 4.319 1 1 1.36933787310952 1633229 CN\1C2=CC=CC=C2S/C1=C/C(=O)C3=CC=CS3 1 4.319 1 1 1.36933787310952 1633220 CC1=CC=CC=C1NC2=NC(=O)/C(=C/C3=CN=CC=C3)/S2 1 3.115 3 1 -4.19345021611427 1633071 CC(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CC=C 1 3.148 2 2 -30.5281191804634 1633010 CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)OC4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)OC)OC 1 5.728 3 4 0 -10.4717061367366 1632978 C1=CC=C(C=C1)C2=CC3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NC(=O)N 1 4.043 4 3 0 -20.9841795059376 1632909 CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)NC3=CC=C(C=C3)NC(=O)C 1 1.498 5 2 0 2.77094804010924 1632898 CC1=C(SC(=N1)C)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.682 4 2 0 2.74113426240693 1632895 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)C4=C(N=C(S4)N)C 1 2.137 6 3 0 -0.122435320532164 1632882 CC1=C(SC(=N1)N)C2=CSC(=N2)NC3=CC=CC(=C3)C(=O)O 1 2.141 4 2 10.0219820100948 1632804 C=CCN1C(=NN=C1SCC(=O)NCC2=CN=CC=C2)CSC3=NC4=CC=CC=C4S3 1 3.536 6 1 0 -25.8142605341202 1632802 C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCCO 1 2.743 3 2 -10.1810697116658 1632798 C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3 1 4.687 5 1 -24.1772048089781 1632793 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)NCCO 1 3.105 3 3 -27.722502007582 1632782 CC1=C(SC2=NC(=NC(=C12)N)SCC(=O)NCCOCCO)C 1 0.988 4 3 0 -14.6096203329426 1632774 CC1=C(SC2=NC(=NC(=C12)N)SCC=C)C 1 3.215 3 0 -4.2250534565708 1632766 C1CCC2=C(C1)C3=C(N=C(N=C3S2)SCC(=O)NCCO)N 1 1.871 4 2 0 -18.0284038709867 1632745 COC1=CC=C(C=C1)/C=C(/C(=O)N2CCOCC2)\NC(=O)C3=CC=CO3 1 1.267 2 5 0 -19.0570521666595 1632628 C1=CC=C(C=C1)C(=O)C(=NNC2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)NC3=CN=CC=C3 1 4.692 4 2 -4.64103729459307 1632488 CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=C(C(=CS3)C4=CC(=C(C=C4)OC)OC)C(=O)N2CC=C)C 1 5.602 3 6 0 -24.047484737573 1632502 CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)OC)C(=O)N2CC=C)C 1 5.618 3 5 0 -21.6579621774232 1632519 CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OC)C 1 4.621 3 3 -14.8733077051508 1632447 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C/4\C(=O)N(C(=S)S4)CCCCCC(=O)O 1 6.137 3 3 -6.14476346045128 1632408 CC1=CC=C(C=C1)OCC(=O)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)C)C 1 2.501 3 4 0 -13.9500014049473 1632405 C1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=CO2 1 0.602 3 4 0 -11.6023032059076 1632403 C1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=CS2 1 1.16 3 3 0 -13.5260071351358 1632397 C1=CC=C(C=C1)NC(=O)CCC(=O)NNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 0.804 4 6 0 -17.1841679239142 1632392 CC(=O)NNC(=O)CCC(=O)NC1=CC=CC=C1 1 -0.457 3 3 0 -10.6542676768299 1632391 C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NNC(=O)CCC(=O)O 1 1.544 2 5 0 -8.85858508987061 1632388 CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=O)C2=CC=CO2 1 1.753 3 4 0 -10.1897100524007 1632387 C1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)CCC(=O)O 1 -0.612 3 5 0 -12.2965269708644 1632377 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)C)C 1 2.369 3 4 0 -15.4872168762758 1632374 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=CS2)C 1 2.133 3 3 -16.0342998672167 1632370 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=CO2)C 1 1.575 3 4 0 -14.1105959379886 1632366 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC2=CC=C(C=C2)F)C 1 3.788 4 2 -12.7968273006213 1632360 CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C 1 3.709 3 3 -18.0491670165704 1632358 CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CC=C2)/Cl 1 3.937 1 1 -1.86819568803148 1632318 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCCC3=CNC4=CC=CC=C43 1 4.074 3 3 -20.2001815093989 1632310 C1=CC(=CC(=C1)NC(=O)CCCN2C(=O)/C(=C\C3=CC=CS3)/SC2=S)C(=O)O 1 3.836 2 4 -16.6597095865509 1632308 C1=CC(=CC(=C1)NC(=O)CCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S)C(=O)O 1 3.836 2 4 -16.6597095865509 1632284 C1=CC=C(C=C1)N(CCO)C(=O)CCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 3.873 2 3 -13.7031938511813 1632275 CC1=CC(=NO1)NC(=O)CCCN2C(=O)/C(=C\C3=CC=CS3)/SC2=S 1 3.345 3 3 -23.8401081332914 1632274 CC1=CC(=NO1)NC(=O)CCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 3.345 3 3 -23.8401081332914 1632258 C1=CC(=CN=C1)NC(=O)CCCN2C(=O)/C(=C\C3=CC=CS3)/SC2=S 1 3.055 3 2 -15.3507313062952 1632256 CCCCNC(=O)NCCN1CCOCC1 1 0.524 3 2 0 -12.0293256582593 1632253 C1=CC(=CN=C1)NC(=O)CCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 3.055 3 2 -15.3507313062952 1632235 C1=CC=NC(=C1)NC(=O)CCCN2C(=O)/C(=C\C3=CC=CS3)/SC2=S 1 3.594 3 2 -14.5207565346771 1632232 C1=CC=NC(=C1)NC(=O)CCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 3.594 3 2 -14.5207565346771 1632105 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=CC(=NN2)C3=CC=CN3C 1 3.763 5 1 -9.90208747196458 1632077 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)F 1 4.461 5 2 0 -13.8641316833151 1632066 C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)F 1 2.465 5 2 0 -8.36608728860084 1631992 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3)OC 1 4.642 5 4 0 -18.4476918387252 1631987 C1=CC(=CC=C1NC(=O)/C=C\C(=O)O)OC(F)F 1 1.999 1 4 0 -2.17354169275477 1631967 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N(CCCCN3C(=O)C4=CC=CC=C4C3=O)C5=C(C=C(C=C5)F)F 1 4.584 2 5 0 -10.6311549262555 1631918 CCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2CCCCC2)OC 1 4.203 1 3 -11.8090665904916 1631759 C1CN(CCC12OCCO2)CC3=NN=C(O3)C4=CC=CC=C4 1 1.46 3 3 0 -2.02080830607819 1631709 CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)NCCCN4CCOCC4 1 1.445 2 5 0 -8.24176642357637 1631669 CC(C)(C(=O)OC)ONC(=O)NC1=CC=CC=C1 1 1.295 2 4 0 -2.76973724602258 1631668 CCCNC1=NC(=NC2=C1C=NN2CCC3=CC=CC=C3)C 1 2.708 5 0 -3.31323918092012 1631654 CCOCC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OC2=CC(=CC=C2)Br 1 4.286 1 3 -2.09395787927058 1631626 COC1=CC=CC=C1OCCCC(=O)NC2=NC=CS2 1 2 2 3 0 -12.1293288104982 1631610 COC1=CC=CC=C1OCCCC(=O)NCC2=CC=CO2 1 2.191 1 4 -17.6682500509224 1631516 CCCCCN1C=NC2=C(C1=O)C=C(S2)CC 1 3.34 2 1 -6.1347273675531 1631452 CC1=CC=C(C=C1)NC(=O)CSCC(=O)NCCC2=CC=CC=C2 1 2.882 2 2 -12.7234516054953 1631471 CC1CCN(CC1)C(=O)CN2C3=CC=CC=C3C(=O)C2=O 1 1.311 2 3 0 -5.97940703266037 1631413 C1=CC(=CC=C1NC(=O)CSCC#N)Cl 1 1.826 2 1 0 -9.06270931793834 1631340 CC1(CC2=C(CO1)SC3=C2C(=O)NC(=N3)NNC(=S)NCC=C)C 1 2.149 5 2 0 -28.2461094251053 1631157 C1=CC(=CN=C1)C(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.582 4 5 0 -15.5066964000568 1631117 CCOC(=O)CN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)NC(=O)C4=CN=CC=C4)/C1=O 1 1.906 4 5 0 -14.8274635379277 1631115 CCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)NC(=O)C4=CN=CC=C4)/C1=O 1 2.199 4 3 0 -11.6196416097388 1631112 CN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)NC(=O)C4=CN=CC=C4)/C1=O 1 1.85 4 3 0 -10.1328707986321 1630995 C1=CC=C(C=C1)NN2C(=O)/C(=C/C3=CC(=C(C=C3)O)O)/SC2=S 1 4.162 2 3 0.767713755398058 1630905 COCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 2.068 2 7 0 -12.8770494899929 1630815 C1=NN(C2=C1C(=NC=N2)SCC#N)CCO 1 0.372 5 1 0 -8.00858344335281 1630803 CCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=N2 1 1.676 3 3 0 -13.1145836538589 1630801 CCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2 1 1.247 3 3 0 -12.9960412478043 1630798 CCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CS2 1 2.386 2 3 -14.3574728574357 1630787 CC(C)(C)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 2.242 4 5 0 -19.8898197248726 1630784 CC(C)(C)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=CC=CS3 1 3.07 3 3 -15.2396212013207 1630760 C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3OC2=O 1 3.24 1 3 1.43322485069882 1630753 CCN(CC)CCNC(=O)NC(=O)C1=CC=C(C=C1)Cl 1 2.318 3 2 -7.25195191702429 1630751 CN(C)CCNC(=O)NC(=O)C1=CC=C(C=C1)Cl 1 1.621 3 2 0 -4.76275970322936 1630749 CC(C)OCCCNC(=O)NC(=O)C1=CC=C(C=C1)Cl 1 2.14 2 3 -12.0039030730054 1630745 C1=CC(=CC=C1NC(=O)NC(=O)C(F)(F)F)S(=O)(=O)NC2=NC=CS2 1 1.303 4 4 0 -9.39345054443707 1630730 COCCCNC(=O)NC(=O)C1=CC=CC=C1 1 0.749 2 3 0 -13.3633414829127 1630725 CC1=NC(=CC=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.697 3 2 -8.74612534600037 1630723 C1=CC=C(C=C1)S(=O)(=O)N=C(C(F)(F)F)NC2=CC=C(C=C2)F 1 3.009 2 2 -5.07869991841494 1630722 CC1=CC(=CC=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)C(F)(F)F 1 3.936 2 2 -3.72155195101301 1630700 COCCNC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 1.581 3 4 0 -16.5653933696396 1630687 CC1=CC(=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCCN3CCCC3=O)C 1 2.996 4 1 -12.5934612629759 1630686 CC1=CC(=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCCN3CCOCC3)C 1 3.168 4 1 -0.794318208469782 1630498 CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NNC(=N2)C3=C(C=C(C=C3)Cl)Cl)C#N)C 1 5.19 5 3 0 -17.4285674040499 1630270 CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)NCCO)C 1 2.574 1 3 -3.15656034260668 1629976 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NN=C2C(=O)CC(CC2=O)(C)C 1 2.286 3 4 0 -18.4990326703899 1630007 C1=CC=C(C(=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)Cl 1 4.654 2 6 0 -9.78943232624995 1629947 C1CN(C2=C1C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)CCCCl 1 2.728 3 2 -15.4706985082193 1629933 CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC3=CC=CC=C3O)CC=C 1 4.171 3 1 5.21019052066935 1629837 CN1C(=NN=C1SCC(=O)NCC2=CC=CC=N2)CSC3=NC4=CC=CC=C4S3 1 3.135 6 1 0 -21.210666053393 1629593 CC(=O)N/C(=C/C1=CC2=C(C=C1)OCO2)/C(=O)NCCO 1 -0.441 2 5 0 -16.9200824889086 1629331 CCOC(=O)C(=NNC1=CC=C(C=C1)Cl)SC2=NN=NN2C3=CC=C(C=C3)C 1 4.944 6 2 0 -7.22768562247543 1628909 CCCC(=O)C1=C(OC(=C1)CP(=O)(OCC)OCC)C 1 1.966 0 5 0 -8.50136494063985 1628735 C=CCSC1=NNC2=NC3=C(C(=O)N21)C4(CCCC4)CC5=CC=CC=C53 1 4.421 4 1 -16.340918696841 1628728 COC1=CC=CC=C1/C=C/C=NN2C(=NNC2=S)C3=NNC4=C3CCC4 1 3.89 6 1 0 -8.94674579132024e-002 1628636 CCOC(=O)C1=CN=C(N=C1N)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N 1 2.392 8 2 0 -9.8311043583743 1628135 CC1=CC(=NC2=C1C=CC(=C2)OC)SCC#N 1 3.297 2 1 -1.82035632934899 1628118 C1=CC=C(C=C1)OCC(=O)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.436 3 6 0 -7.91406805821468 1628000 CC1=NC(=NN1)S/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)/C(=O)O 1 3.126 3 5 0 -8.23573408013641e-002 1627951 C1CC2=C(C1)NN=C2C3=NNC(=S)N3N=C/C=C/C4=CC=CO4 1 3.302 6 1 0 -7.20539237482569e-002 1627855 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)OC 1 5.859 5 5 0 -16.2039520383164 1627811 CC1=CC=CC=C1S(=O)(=O)NNC(=O)C(=O)NNC2=CC=CC=N2 1 0.737 5 4 0 -10.0476192772688 1627739 CC1=CC(=NN1)C2=NNC(=S)N2N=C/C(=C/C3=CC=CC=C3)/Cl 1 3.494 6 0 -6.70009664942829 1627636 C1=CC(=CC(=C1)NC(=S)NN)C2=NNC(=S)O2 1 2.456 5 1 -7.2653750690651 1627571 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)NCCC2=CC=CC=C2 1 2.388 4 2 -17.6893080302121 1627491 CCCC(=O)NNC(=O)CC(=O)NC1=CC=CC=C1C(=O)O 1 0.261 3 5 0 -14.6271920679253 1627409 C1=CC=NC(=C1)NNC(=O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)N 1 -0.495 6 4 0 -8.0916574643927 1627401 C1=CC=C(C=C1)NNC(=O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)N 1 0.116 5 4 0 -7.23676231806123 1627348 CC1CCN(CC1)C(=S)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N 1 4.169 6 0 -9.41862115378788 1627333 C1=COC(=C1)C=NNC(=O)CC2=CC=CS2 1 2.066 2 2 -7.84609090837662 1627306 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC=CS2 1 1.561 4 2 0 -21.8093698829691 1627293 CCCC1=NN=C(S1)NC(=O)CCC(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 3.144 4 2 -18.2517024766814 1627263 COC1=CC=CC=C1NC(=O)CCC(=O)NC2=NN=C(S2)C3CCCCC3 1 2.795 4 3 0 -13.6219293096409 1627199 CCCOC(=O)C1=C(C2=CC3=C(CCCC3=O)N=C2S1)N 1 2.541 2 3 -13.290566858806 1627181 CC1=C([N+](=O)C(=C(N1[O-])C)C2=CC=C(C=C2)Br)C 1 1.683 2 2 0 0.943729222089215 1627249 CCCCCCC(=O)C1=C(N(C(=O)NC1=O)C2=CC=CC=C2OC)O 1 3.376 2 5 0 -10.0527444813814 1627237 CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)OC 1 2.748 6 1 0 -5.35120046166191 1627228 CC1=CC=CC=C1N2CCN(CC2)C3=NC(=O)/C(=C/C4=C(NN=C4)C5=CC=CC=C5)/S3 1 4.778 5 1 -0.681822468538062 1627033 CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)NC3=CC=CC=C3)C)C 1 5.118 3 2 -5.75035390711921 1626931 C1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)CSC(=O)N 1 2.417 3 3 -8.61004074421983 1626929 CC1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)CSC(=O)N 1 2.903 3 3 -8.16035514379824 1626927 CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)SC3=CC=CC=C3 1 5.072 1 2 -3.19765438857108 1626841 CCO/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-])/C 1 0.751 1 5 0 -3.94089922711084 1626824 COC1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=C(C=C(C=C3Cl)Cl)Cl)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 5.832 4 5 0 -8.03111927746406 1626862 C1=CC=C(C=C1)/C=C/C=NN2C(=NN=N2)N 1 0.94 6 0 0 1.10631600444032 1626744 CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)OC)[N+](=O)[O-] 1 3.106 1 6 0 -6.36524314775779 1626569 CC1=CC=C(C=C1)NC(=O)CCC(=O)NN=CC2=COC3=CC=CC=C3C2=O 1 1.916 3 4 0 -8.4335212139677 1626731 COC1=CC=C(C=C1)C=NN2C(=C(N=C2N)C3=CC=CC=C3)C4=CC=CC=C4 1 5.103 4 1 8.63201286937187 1626614 CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-])/OCC 1 1.275 1 5 0 -4.23460635024422 1626528 C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)CC2=NN=C(S2)N 1 0.746 6 3 0 -8.31854199696249 1626487 CN(C)C1=CC=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=NC=C2 1 0.754 5 2 0 -15.8208411717116 1626313 CC(C)(C#CCCCCC#CC(C)(C)N(C)C)N(C)C 1 4.629 2 0 -0.983118151077383 1626298 CCCCCCCC(=O)NC1=NC(=O)C(S1)(C)C 1 3.833 2 2 -12.9296695008538 1626325 C1CC2=C(C1)NN=C2C3=NNC(=S)N3N=C/C=C/C4=CC=CC=C4 1 3.907 6 0 1.43218620389985 1626319 CN(C)C1=CC=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=CO2 1 1.3 4 3 0 -14.8228857601325 1626247 C1=CC=C2C(=C1)C=CC=C2CSCCC3=CC=NC=C3 1 4.041 1 0 1.36325297636051 1626080 C1=CC=C(C=C1)NC2=NC(=O)/C(=C/C=C/C3=CC=CO3)/S2 1 3.642 2 2 0.178079136310804 1626006 CC1=CC=C(O1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)COC 1 0.429 8 4 0 -25.9977809919543 1626003 CN1C=C(C=CC1=O)C(=O)NN=C/C(=C\C2=CC=CC=C2)/Br 1 1.508 3 2 0 -10.61941319735 1625999 CC1=C(C=CO1)C(=O)NN=C/C(=C/C2=CC=CC=C2)/Br 1 2.745 2 2 -6.73563145275984 1625998 CC1=C(C=CO1)C(=O)NN=C/C(=C\C2=CC=CC=C2)/Br 1 2.745 2 2 -6.73563145275984 1626095 C1=CC=C(C=C1)COC2=CC=CC(=C2)C=NNC(=O)C3=CC=C(C=C3)Br 1 4.998 2 2 -5.16491541683564 1625981 CC1=C(SC=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C 1 1.592 8 2 0 -24.6426936261948 1625951 CC1=C(SC=C1)C=NNC(=O)/C(=C/C2=CC=C(C=C2)OC)/NC(=O)C3=CC=CC=C3 1 4.063 3 3 -16.6067016388868 1625859 COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC(=S)N3CCCCC3 1 3.901 6 1 0 -8.60801435041435 1625788 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC3=C(C=C2)C=NN3 1 1.703 6 2 0 -11.7057650593661 1625693 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCCCOC 1 2.614 4 3 0 -7.62752833913092 1625680 CC1=NC(=NN1)S/C(=C\C2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)/C(=O)O 1 3.791 3 5 0 2.62346101601833 1625604 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NN=C(O3)C4=CC=NC=C4 1 2.343 8 1 0 -5.6512563232015 1625602 CC1=CC=C(O1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C 1 0.693 8 3 0 -25.3656927609921 1625575 CCOC(=O)/C=C/S(=O)(=O)C1=CC=C(C=C1)NC(=O)C 1 0.68 1 5 0 -8.21673888600748 1625554 CN1C(=O)/C(=C\C2=CC=C(C=C2)N3CCCCCC3)/C(=O)NC1=S 1 3.505 3 2 -2.01246286602622 1625508 C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NN=CC5=CC=CC=C5C(=O)O 1 5.317 4 4 0 -32.1457703390574 1625463 C=CCNC(=S)NN=CC1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.947 4 3 0 -9.12651121382711 1625461 C=CCNC(=S)NN=CC1=CC=C(O1)C2=C(C=C(C=C2)Cl)Cl 1 5.382 3 1 -2.83743123560983 1625452 C=CCNC(=S)NN=CC1=CC=C(O1)C2=CC=C(C=C2)Br 1 4.801 3 1 -6.00888523208184 1625442 C1=CC=C(C=C1)CNC2=C(C(=O)N3C=CC=CC3=N2)C=NCC4=CC=CC=C4 1 3.013 4 1 -10.3550501286625 1625367 C1=NNC(=N1)SCC(=O)CSC2=NC=NN2 1 0.615 6 1 0 -8.66283388283489 1625342 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)C 1 0.773 4 6 0 -9.07412492804066 1625298 C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)CNC(=O)C2=CC(=CC=C2)F 1 1.843 4 4 0 -14.4250005388309 1625297 CC1=NN=C(S1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N 1 1.902 7 0 0 -10.623276053191 1625278 C1=CC(=CN=C1)C=NNC(=O)CNC(=O)C2=CC=C(C=C2)F 1 0.798 4 2 0 -11.6185434129223 1625277 CC1=CC(=CC=C1)OCC(=O)NCC(=O)NN=CC2=CC=C(C=C2)N(C)C 1 2.226 4 3 0 -13.6294099416997 1625241 CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)N4CCOCC4)/C(=O)NC2=O 1 2.983 3 4 0 -1.89778275786286 1625240 CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)N4CCOCC4)/C(=O)NC2=O 1 2.983 3 4 0 -1.89778275786286 1625203 CCC1=C(NC(=NC1=O)NC(=NC(=O)C2=CC=CC=C2)NC3=CC=CC=C3OC)C 1 3.714 5 3 0 -17.1521953262717 1625073 CCCC1=NN=C(S1)NC(=O)CCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.103 4 4 0 -23.2551173454821 1625080 CC1(CC2=C(C(=NC(=C2CO1)C3=CC=CO3)NCCO)C#N)C 1 1.697 3 3 0 -2.20637949102762 1624910 CC1=CC=CC=C1C2=NC(C3=C(N2)N(C(=O)NC3=O)C4=CC=C(C=C4)F)(C(F)(F)F)C(F)(F)F 1 4.802 4 2 1.52025883472396 1624906 CCOC(=O)CC1=CC(=O)N=C(N1)NC(=NC(=O)C2=CC=CC=C2)NC3=C(C(=CC=C3)Cl)C 1 3.934 5 4 0 -16.2917554234245 1624843 CCCCC(=O)NC1=NN(C2=C1C=C3C=CC=C(C3=N2)C)CC 1 4.138 4 1 -7.47400738226034 1624809 CCOC1=C(C(=CC(=C1)C=NNC(=O)CN2C(=CC(=N2)[N+](=O)[O-])C)Br)OCC3=CC=CC=C3C 1 4.898 5 5 0 -17.96699403657 1624767 CCCC(=O)NC1=NN=C(S1)CCN2CCCCC2 1 1.979 4 1 0 -13.7891833397264 1624671 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)NC2CCCCCCC2 1 3.254 4 2 -15.6752385671358 1624667 CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)NC(=S)S3)C4=CC=CC=C4 1 4.131 4 3 0 6.84028883092306 1624622 C1=CC=C(C=C1)/C=C/CSC2=NC(=O)C=C(N2)N 1 2.286 3 1 -6.52293105155167 1624603 CC(=O)OCCSC1=C(C2=C(C=CC(=C2)Cl)NC1=O)C3=CC=CC=C3 1 3.481 1 3 -6.54164100679076 1624495 C=CCNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=C(C=C3)F 1 3.018 4 2 -7.94855722990716 1624464 CCCCN1C2=C(C=C3C=C(C=CC3=N2)OC)C(=N1)NC(=O)COC 1 2.773 4 3 0 -8.90608310447405 1624362 CCCCN1C2=C(C=C3C=CC(=CC3=N2)C)C(=N1)NC(=O)COC 1 3.276 4 2 -8.54674744472145 1624155 CCC(CC)(C#CCN1CCOCC1)OCCC#N 1 2.076 2 2 -5.24557349112081 1624059 CCOC1=CC=C(C=C1)C2=C(N(C3=C([N+]2=O)CCCCC3)[O-])C 1 2.399 2 3 -4.79368122983235 1624026 C1CN(CCN1)CCNC=C2C(=O)CC(CC2=O)C3=CC=C(C=C3)Cl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l 1 2.8 4 2 -17.0220377173821 1622899 C1=CC(=CC(=C1)N2C=CC=C2/C=C\[N+](=O)[O-])C(=O)O 1 2.607 2 4 5.12347126661571 1622995 C=CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=CC=C3)[O-] 1 2.247 2 3 -10.0807641077376 1622988 CC1CCN(CC1)C2=NC(=O)/C(=C/C3=C(NN=C3)C4=CC=CC=C4)/S2 1 3.831 4 1 -6.33275505898613 1622944 COC1=CC=CC=C1/C=C/C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4 1 4.773 6 1 0 4.54020510705093 1622789 C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3N=C/C=C/C4=CC=CO4 1 4.185 6 1 0 4.62863741170349 1622624 CC1=CC(=CC=C1)OCCCC(=O)O 1 2.35 0 3 -5.15043739314095 1622566 CC1=CC(=C(C(=C1)Cl)NC(=O)/C=C\C(=O)O)C 1 2.83 1 3 -0.684492106406947 1622539 CN(C)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/O2 1 3 2 6 0 -9.07710273533039 1622524 CC1=C(C(=CC=C1)OCCCC(=O)O)C 1 2.836 0 3 -4.19068980589129 1622521 CC1=CC(=CC(=C1)OCCCC(=O)O)C 1 2.836 0 3 -6.56568744840162 1622509 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NNC(=N2)N 1 1.598 5 3 0 -5.85655867955243 1622478 COCCNC(=O)C1=C(SC2=C1CCCC2)N 1 1.33 2 2 0 -11.7134960207902 1622435 CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)O 1 4.33 2 4 -2.96649432196021 1622404 COC1=C(C=C(C=C1)Cl)NC(=O)/C=C\C(=O)O 1 1.841 1 4 0 -3.99339299779472 1622396 CC1=CN2C(=N)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/C(=O)N=C2S1 1 1.74 4 4 0 -7.60116258905332 1622383 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)/C=C\C(=O)O 1 2.754 1 4 -2.42622222457925 1622360 CCCCCC1=NN=C(S1)N 1 1.853 3 0 0 -2.62966615308704 1622352 COCCCNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.792 4 3 0 -5.8055296485441 1622297 C/C(=C\C1=CC=CC=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O 1 4.012 1 3 -13.8866192567574 1622070 CC1=CC(=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCCOC)C 1 3.037 4 3 0 -6.30312989134416 1621897 CC1=CC=CC2=CC3=C(N=C12)N(N=C3NC(=O)C(C)(C)C)CC(C)C 1 4.948 4 1 -11.4299024926557 1621728 CC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NN=C(S4)C 1 2.763 7 1 0 -15.5058227356691 1621713 CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC(=S)N3CCN(CC3)C4=CC=CC=C4 1 4.962 7 1 0 -3.74337243908491 1621617 COCCCNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.456 4 3 0 -5.6418262656861 1621615 C1=CC=C(C(=C1)/C=C/C=NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)[N+](=O)[O-] 1 5.437 5 4 0 -16.7843217763462 1621571 CCCCCCOC(=O)CCC1=C(NC(=NC1=O)N)C 1 2.104 3 3 -15.3187734946006 1621512 COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCCO 1 1.035 5 2 0 -4.88777079659591 1621350 C1=CC=C(C=C1)/C=C(/C(=O)NCCC2=NC3=CC=CC=C3N2)\NC(=O)/C=C/C4=CC=CO4 1 3.398 4 3 0 -15.1261048487678 1621141 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NNC(=O)C3=CC=NC=C3)Cl 1 3.023 4 3 0 -15.1448485743958 1620936 CC1=CC=C(C=C1)OCCOC(=O)C2=C(N(C(=S)S2)C)C 1 4.143 1 3 -8.33944191043292 1620764 C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC#N)CC5=CC=CC=C5 1 5.282 3 1 -15.2450460465995 1620818 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N4C2=NC(=O)C4 1 2.905 3 1 -4.3215923887141 1620774 COC1=CC=CC=C1/C=C/C=NN2C(=NNC2=S)C3=CC=C(C=C3)Cl 1 4.755 4 1 3.44740853155685 1620773 COC1=CC=CC=C1/C=C\C=NN2C(=NNC2=S)C3=CC=C(C=C3)Cl 1 4.755 4 1 3.44740853155685 1620742 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)Br 1 1.839 2 5 0 -15.8393050320334 1620468 C1=CC=C(C=C1)CC(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)Cl 1 1.76 2 5 0 -17.0100961601853 1620644 CC1=CC(N2C3=C(C=C(C=C13)OC(=O)C4=CC(=CC=C4)OC)C(=O)C2=O)(C)C 1 3.542 1 5 -8.77486925852922 1620397 C1=CC=C(C=C1)CC(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)Cl 1 2.7 1 4 -15.0182774869518 1620317 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)F 1 1.909 1 5 0 -13.5231676881619 1620316 CC1=CC(=CC=C1)NP(=O)(OC2=CC=CC=C2F)OC3=CC=CC=C3F 1 5.187 1 3 2.07086270269306 1620343 COC1=CC(=C(C=C1)OC)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 1 4.257 1 5 -2.02882599612154 1620331 CCOC1=CC2=C(C=C1)N=C(S2)N3C(=O)/C(=C/C4=CC=C(C=C4)Cl)/NC3=S 1 5.235 3 2 -0.907322331215718 1620327 COC1=CC=C(C=C1)NC(=O)CCCN2C(=O)/C(=C\C3=CC=CO3)/SC2=S 1 3.631 2 4 -13.253303357364 1620246 CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC(=S)N3CCOCC3 1 3.02 6 2 0 -9.32034322213786 1620267 CCC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CN3CCOC4=CC=C(C=C4)C(C)C)/C(=O)NC2=O 1 6.006 3 4 0 -2.83412131100166 1620107 COC1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)Cl 1 2.036 2 5 0 -13.3530112511341 1620237 CCOC(=O)C1=C(N=C(S1)NC(=O)CSC(=S)N2CCN(CC2)C)C 1 2.573 4 3 0 -14.710865488812 1620235 C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CS3)NC4=CC=CC(=C4)C(=O)O 1 3.189 4 4 0 -4.08161263940872 1620198 CC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NN=NN4C5=CC=CC=C5 1 3.457 9 1 0 -20.1304869848132 1620140 C1=CC(=CC=C1OP(=O)(N)OCC(F)(F)F)Cl 1 2.416 1 3 0.511698437406473 1620083 CCC1=CC=CC=C1NC(=S)N=C(N)NC2=NC3=C(C=C(C=C3)C)C(=N2)C 1 5.519 6 0 -1.51337993217255 1620052 CC1=CC=C(C=C1)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C 1 2.676 1 5 -14.1653540166086 1619995 CCCCN1C(=O)C(=CN(C1=O)CC2=CC(=C(C=C2)OC)[N+](=O)[O-])F 1 2.1 3 5 0 -9.49419771788145 1619949 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NCC(=O)OCC(=O)C3=CC=C(C=C3)Cl 1 1.549 2 6 0 -16.9165032048127 1619920 CC1=CC(=NN1C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)C 1 3.313 4 1 -16.9520147648597 1619896 CC1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 4.217 2 7 0 -16.3596618553992 1619887 COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F 1 5.349 1 7 0 -6.21643314625113 1619779 CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2N3CCCC3 1 4.55 2 2 -7.43938678650528 1619727 CC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)CNC(=O)C2=CC=C(C=C2)OC 1 1.53 2 6 0 -19.6221049256288 1619531 CC1=CC(=C(C=C1)C2=CC=C(O2)/C=C\3/C(=NOC3=O)C4=CC=CC=C4)[N+](=O)[O-] 1 4.972 2 5 0 5.68115417132848 1619413 CC(=O)NCC(=O)OCC(=O)C1=CC=CC=C1 1 0.336 1 4 0 -14.3147688535148 1619325 C1=CC=C(C=C1)CC(=O)NCC(=O)OCC(=O)C2=CC=CC=C2Cl 1 2.7 1 4 -14.8223693251881 1619220 C1=CSC(=C1)C(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)Cl 1 2.006 2 4 -14.3848670544573 1619219 CC1=CC(=CC=C1)OP(=O)(NCC2=CC=CC=C2)OC3=CC=CC(=C3)C 1 5.269 1 3 0.689424247616528 1619204 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NCC=C)C(=O)O 1 1.156 6 3 0 -14.2863657908646 1619109 C1=CC=C2C(=C1)C=CC=C2NC(=O)CCCN3C(=O)/C(=C\C4=CC=CO4)/SC3=S 1 4.556 2 3 -13.9140791298509 1619081 C1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)CNC(=O)C2=CC=CS2 1 1.014 2 5 0 -21.9962145209847 1619027 C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=S)S2)CC(=O)NC3=CC=C(C=C3)F 1 4.356 2 2 -1.40759164874988 1618935 CC1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)Br 1 2.295 2 5 0 -18.9148427196344 1618705 CC1=CC=CC=C1N/C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])/N2C3=CC=CC=C3N=N2 1 5.597 5 2 0 0.70634458899815 1618628 C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=O)CSC4=NN=C(S4)NC(=O)C5=CC=CC=C5Cl 1 4.976 4 3 0 -21.0077937331407 1618558 C1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)CNC(=O)C2=CC=C(C=C2)Br 1 1.809 2 5 0 -19.8928811064013 1618574 CC1=CC(=CC=C1)OP(=O)(NC2=CN=CC=C2)OC3=CC=CC(=C3)C 1 4.112 2 3 0.906016602753732 1618622 CC1=CC(=CC=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 4.217 2 7 0 -14.4720163020701 1618550 C1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)F 1 1.266 2 5 0 -19.5463430264215 1618543 COC1=C(C=C(C=C1)CCNCC2=CC=CC=N2)OC 1 2.304 2 2 -3.14578628045068 1618514 CC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-])C 1 4.704 2 7 0 -19.1220029523783 1618504 CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C(C)C 1 4.435 3 3 -10.2541018875411 1618396 COC1=CC=C(C=C1)/C=C(/C(=O)NCCC2=NC3=CC=CC=C3N2)\NC(=O)C4=CC=CO4 1 2.914 4 4 0 -18.168770546477 1618379 CC1=CC(=C(C=C1)NC(=S)N=C(N)NC2=NC3=C(C=C(C=C3)C)C(=N2)C)C 1 5.549 6 0 -3.43951154309083 1618323 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)CNC(=O)/C=C/C3=CC=CO3 1 1.501 4 3 0 -12.785289696583 1618319 CCCCSC1=NC(=O)C=C(N1CC=C)O 1 3.045 2 2 -13.8819008221983 1618256 CCCCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C 1 1.699 3 3 0 -18.4660310272878 1618187 COC1=CC=CC=C1OP(=O)(NC2=CC=C(C=C2)Br)OC3=CC=CC=C3OC 1 5.006 1 5 -1.03286599608796 1618051 CCCCCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C 1 2.155 3 3 -19.1085187369347 1618175 C1=CC=C(C=C1)C(C2=CC=CC=C2)NP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4 1 5.909 1 3 -4.0790823213214 1618168 COC1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)Br 1 1.792 2 6 0 -19.2567659801435 1618156 CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.909 3 4 0 -5.68155124052512 1618088 CC1=CC=CC=C1NP(=O)(OC2=CC=CC=C2F)OC3=CC=CC=C3F 1 5.187 1 3 0.140569199149823 1617983 C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CNS(=O)(=O)C3=CC=CC=C3 1 3.136 1 7 0 -20.1689571196348 1617946 COC1=C(C=C(C=C1)N(CC(=O)NN=CC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3)Cl 1 3.271 3 5 0 -15.8884893365942 1617920 CCCCCC(=O)NC(=S)NC1C2CC3CC(C2)CC1C3 1 4.54 2 1 -8.74892712148903 1617897 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 2.324 4 5 0 -6.20518817416132 1617847 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)/C(=C/C3=CC=C(C=C3)F)/NC(=O)C4=CC=CO4 1 3.136 4 3 0 -17.0439273118676 1617800 C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)C 1 4.907 2 3 -17.6018408867863 1617760 CN(C)C1=CC=C(C=C1)NC(=O)C2=C(N=C(S2)SCC(=O)NC3=CC=C(C=C3)Br)N 1 3.784 5 2 0 -14.6212129821928 1617676 CC1=CC(=NC(=N1)NCCCC(=O)[O-])C 1 -0.95 3 2 0 -7.30886054648152 1617656 CC1=CC2=C(C=C1)O/C(=C(/C(=O)OC)\C(F)(F)F)/S2 1 4.027 0 3 -1.18156307204718 1617632 C1=CC(=CC=C1C=NNC(=O)CC2=NN=C(S2)N)[N+](=O)[O-] 1 0.746 6 3 0 -8.07184812704972 1617603 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)C5=CC=CC=C5 1 5.888 5 1 -3.40739870564393 1617552 C1CCN(CC1)/C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])/SC2=CC=CC=C2 1 5.44 2 2 7.96646199441928 1617457 CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=NNC(=O)CC4=NN=C(S4)NC(=O)C5=CC=C(C=C5)C 1 5.438 6 2 0 -14.4041674961933 1617365 C1COCCN1CC#CCOCCOC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.532 1 3 -8.82736404444305 1617297 CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCOCC3 1 3.232 2 3 -5.3039017245781 1617287 CC1(OC(=C/C(=C/C=C2C(=O)NC(=S)NC2=O)/O1)C3=CC=CC=C3)C 1 1.993 2 4 0 -2.72902709948459 1617256 CNC(=S)N(C)CCC1=CC2=C(C(=C1C=C3C(=O)NC(=O)NC3=O)OC)OCO2 1 1.884 4 6 0 -10.7135272904587 1617212 CC(=C(C(=O)NCCC1=NC2=CC=CC=C2N1)NC(=O)C3=CC=CC=C3OC)C 1 2.933 4 3 0 -13.3783312137462 1617205 C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.856 3 2 -8.22895187524881 1617157 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NCC(=O)OCC(=O)C3=CC=C(C=C3)Br 1 1.633 2 6 0 -18.3731629499141 1616902 CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C\3/C(=O)NC(=O)N(C3=O)CC4=CC=CO4 1 3.002 3 4 0 -7.02186041541014 1616866 COC1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC=CS2 1 0.997 2 6 0 -21.5410392484921 1616788 CCC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=CO2 1 2.338 1 5 -14.8316374745754 1616767 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3 1 3.749 1 4 -13.3418821821774 1616727 CCCCC1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC=CS3 1 5.521 3 0 -7.5073234820789 1616703 C1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC=CC=C2Cl 1 1.725 2 5 0 -18.507134378277 1616653 CC1=CC=CC=C1OCC(=O)NCC(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2 1 3.231 1 5 -12.4547346074464 1616578 COC1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)Br 1 2.12 2 5 0 -14.8096709962355 1616511 C1=COC(=C1)CN2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CC=C(C=C4)F)(C(F)(F)F)C(F)(F)F 1 3.505 4 3 0 -1.44052421190823 1616476 CC1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)F 1 1.752 2 5 0 -18.5683046396545 1616462 CC1=C(C=C(C=C1)C(=O)COC(=O)CNC(=O)C)C 1 1.309 1 4 0 -13.4580043692619 1616461 CC1=C(C=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=CO2)C 1 2.368 1 5 -14.5310824220527 1616439 CCN(CC)C(=S)SC1=C(C2=C(C=CC(=C2)Cl)NC1=O)C3=CC=CC=C3 1 5.748 2 1 -3.7920005009409 1616388 CCCCCC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=CN=C3)Br 1 4.034 3 2 -1.02874494732537 1616361 CC1=C(C=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)C 1 3.582 2 6 0 -19.7372466577536 1616206 C1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O 1 2.61 2 6 0 -20.9448149582765 1616139 CC1=C(C=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-])C 1 4.704 2 7 0 -16.6075766700394 1616097 C1=CC2=C(C(=C1)NC(=O)CCC(=O)OCC(=O)C3=CC=C(C=C3)Br)N=CC=C2 1 3.211 2 4 -18.4608134672919 1616068 CC1=CC(=CC=C1)NC2=NC(=O)/C(=C\C3=CC=CS3)/S2 1 4.219 2 1 -3.51063910917974 1616067 CC1=CC(=CC=C1)NC2=NC(=O)/C(=C/C3=CC=CS3)/S2 1 4.219 2 1 -3.51063910917974 1616060 CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3 1 2.889 4 3 0 -19.5853269234905 1616053 C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NC3=CC=C(C=C3)C(=O)C 1 4.337 2 3 -13.1211884138633 1616009 C1=CC=C(C(=C1)OCCN2C=CC=C2/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CO4)Cl 1 3.723 3 5 0 -6.84078389872929 1615978 C1=CC=C(C=C1)OP(=O)(NC2=NC=CS2)OC3=CC=CC=C3 1 3.287 2 3 -1.69644342027484 1615977 CC(=O)NCC(=O)OCC(=O)C1=CC=C(C=C1)Cl 1 1.001 1 4 0 -11.6971225954187 1615970 CC(=C(C(=O)NCCC1=NC2=CC=CC=C2N1)NC(=O)C3=CC=CC=C3)C 1 2.949 4 2 -12.7406430411192 1615888 C1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)Cl 1 2.052 2 4 -13.8067355581343 1615882 CC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C=C/C3=CC=CC=C3)/SC2=S 1 3.891 2 3 -5.8341512050118 1615867 C1=CC=C(C=C1)OCCSC2=NC=NC3=C2NC=N3 1 2.475 4 1 -3.54722846458134 1615811 CS(=O)(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/O2 1 2.589 1 7 0 -10.4095670509283 1615779 COC1=CC=C(C=C1)NC(=O)CCC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 1.975 4 5 0 -5.43896502245329 1615738 C1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)CNC(=O)C2=CC=CC=C2 1 1.06 2 5 0 -20.9021481748466 1615713 C1=CC=C(C=C1)CC(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)F 1 2.241 1 4 -16.1283991520733 1615690 C1=CC=C2C=C(C=CC2=C1)NC(=O)CCCN3C(=O)/C(=C\C4=CC=CO4)/SC3=S 1 4.556 2 3 -10.8667876667642 1615655 COC1=CC=C(C=C1)CCNCC2=CC=C(C=C2)SC 1 3.797 1 1 3.91893131901571 1615618 C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC=CC=C2Cl 1 2.665 1 4 -13.5531776288846 1615590 CC1=C(C(=CC=C1)NC2=NC(=NC(=N2)N)COC3=CC=C(C=C3)OC)C 1 3.565 5 2 0 -0.425555917151356 1615432 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NCC(=O)OCC(=O)C4=CC=C(C=C4)Cl 1 3.274 2 6 0 -17.9763648839103 1615426 C1=CC=C(C(=C1)C(=O)COC(=O)CNC(=O)C2=CC=CS2)Cl 1 2.618 1 4 -14.06029035472 1615419 CC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)CC2=CC=CC=C2 1 2.522 1 4 -16.8402761775386 1615380 C1=CC(=CC=C1C2=NC(C3=C(N2)N(C(=O)NC3=O)C4=CC=C(C=C4)F)(C(F)(F)F)C(F)(F)F)F 1 4.521 4 2 0.70631380022095 1615340 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3 1 3.655 5 3 0 -19.9479712515671 1615307 C1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 2.665 1 4 -13.4822646119074 1615173 CCC1=NN=C(S1)NC(=O)CCC(=O)NCCC2=CC=CC=C2 1 1.68 4 2 0 -21.1636392578224 1615170 CN1C(=NC(=N1)[N+](=O)[O-])SC2=NN=NN2C3=CC=CC(=C3)C(=O)O 1 1.929 8 4 0 -13.6290409763657 1615034 C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3 1 4.397 0 5 -12.2063978883853 1614836 C=CCN1C(=NNC1=S)CCCOC2=C(C=C(C=C2)Cl)Cl 1 4.452 3 1 -6.17950051083228 1614721 C1CCC2=C(CC1)[N+](=O)C3=C(N2[O-])CCCC3 1 1.508 2 2 0 -4.76058684598472 1614532 CC1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC=CS2 1 1.5 2 5 0 -21.199115987983 1614517 C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)NC3=NC=CS3 1 0.638 4 5 0 -12.8781479400202 1614487 C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CS3)NC4=CC=C(C=C4)C(=O)O 1 3.189 4 4 0 -4.43656495975511 1614423 C1=CC(=CC(=C1)NC(=O)CCCN2C(=O)/C(=C/C3=CC=CO3)/SC2=S)C(=O)O 1 3.278 2 5 0 -14.8434537961461 1614390 CN1CCN(CC1)C2=NC(=O)/C(=C/C3=C(NN=C3)C4=CC=CC=C4)/S2 1 2.619 5 1 -1.94495146896354 1614350 CC1=CC(=NC(=N1)SC)OCCO 1 1.38 2 2 0 -2.71658474285301 1614302 COC1=CC=C(C=C1)CN2C(=O)/C(=C\C3=COC=C3)/C(=O)NC2=O 1 1.741 2 5 0 -6.54268860754238 1614226 COC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=O)C(=O)C4=CC=CC=C43 1 3.591 0 5 0.573605025416887 1614135 CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=CC=C(S4)C 1 5.761 5 1 -8.8446820268472 1614068 CC1=C(C=CC=C1NC(=O)CSC2=CC=C(C=C2)Cl)C3=NC4=C(O3)C=CC(=C4)Cl 1 6.273 2 2 6.15105211765387 1614060 CN(C)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/O2 1 3 2 6 0 -9.80323605615272 1614036 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)Br 1 2.452 1 5 -13.8697057681418 1614034 C1=CC(=CC=C1OP(=O)(N)OC2=CC=C(C=C2)Cl)Cl 1 3.837 1 3 2.09900887288863 1614016 C1=CC(=CC(=C1)O)NC2=NC(=O)/C(=C/C3=CN=CC=C3)/S2 1 2.386 3 2 -2.38524058711594 1613895 C1=CC=C(C(=C1)C(=O)O)NC(=O)CCCN2C(=O)/C(=C/C3=CC=CO3)/SC2=S 1 3.278 2 5 0 -16.4488636354615 1613879 COC1=C(C=C(C=C1)C=NOCC(=O)NC2=NC3=CC=CC=C3S2)OC 1 2.924 3 4 0 -3.87156724569696 1613722 CCCCCCOC(=O)CC1=C(NC(=NC1=O)N)C 1 1.648 3 3 0 -14.0101638135667 1613687 CC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C 1 0.822 1 4 0 -13.5191212860055 1613621 CCOC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NN=NN4C5=CC=CC=C5 1 3.303 9 2 0 -22.1137636781309 1613606 CC1=C(C=C(C=C1)C(=O)COC(=O)CNS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-] 1 2.084 2 7 0 -17.9852796524844 1613531 CCC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4S3 1 4.735 6 0 -2.99977262866849 1613528 CC1=CC(N2C3=C1C=C(C=C3/C(=C/4\C(=O)NC(=S)S4)/C2=O)OC(=O)C)(C)C 1 2.98 2 4 -5.31158114696376 1613471 COC1=CC=CC(=C1)NP(=O)(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl 1 5.603 1 4 1.89989373253857 1613273 C1=CC=C2C=C(C=CC2=C1)C(=O)COC(=O)CNC(=O)C3=CC=CS3 1 2.862 1 4 -13.559167660901 1613267 CCOC(=O)C1=CN=C(N=C1N)SCC#N 1 0.841 4 2 0 -11.0930408511277 1613217 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)Cl 1 1.755 2 5 0 -14.3826452869319 1613195 CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=CS3)/SC2=S 1 4.123 2 2 -10.1759404657016 1613180 CC1=CC(=C(C=C1)C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=CC=C2 1 2.676 1 5 -11.8054388999312 1613147 CC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)CNC(=O)C2=CC=C(C=C2)C 1 2.033 2 5 0 -20.1065006073373 1613142 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=CC=C2Cl 1 2.368 1 5 -12.2171378612767 1613041 C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N5C(=N4)NN=C5SCC#N 1 3.991 5 1 -18.5260985135457 1612974 CC1=C(C=C(C=C1)N(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C(=O)C4=CN=CC=C4)C 1 3.592 3 3 -9.6180467836007 1612942 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 2.867 2 6 0 -18.2647564489183 1612926 COC1=CC=C(C=C1)/C=C(/C(=O)NCCC2=NC3=CC=CC=C3N2)\NC(=O)/C=C/C4=CC=CO4 1 3.382 4 4 0 -15.1987142438152 1612769 C1=CC=C(C=C1)C=NNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 3.806 5 0 6.38154884606721 1612755 CCC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=C(O2)Br 1 2.906 1 5 -16.144847459024 1612893 C1=CC=C(C=C1)OP(=O)(NC2=CN=CC=C2)OC3=CC=CC=C3 1 3.14 2 3 -1.1162569377333 1612851 C1=CC=C(C=C1)CC(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3 1 3.467 1 6 0 -22.7741885835462 1612795 C1=CC=C(C(=C1)NC(=O)ON=CC2=CC=NC=C2)Cl 1 2.566 3 2 -0.266118027655998 1612609 C1=CC=C(C=C1)OCCCN2C=CC=C2C=NNC3=NC4=CC=CC=C4S3 1 4.722 4 1 0.66780630007388 1612558 C1=CC=C(C=C1)NC(=O)CCCN2C(=O)/C(=C/C3=CC=CO3)/SC2=S 1 3.648 2 3 -13.094385513118 1612543 COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 4.974 3 3 -8.99819442436294 1612523 C1=CC=C(C=C1)CC(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.93 2 6 0 -18.9346739648958 1612477 C1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Br 1 2.749 1 4 -14.9389243570089 1612464 C1COCCN1C2=NC(=O)/C(=C\C3=CC4=C(C=C3[N+](=O)[O-])OCO4)/S2 1 1.758 3 6 0 -10.3109817588889 1612375 COC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/O2 1 2.721 1 7 0 -11.3240531397817 1612208 CCOC(=O)C1=C2C3=CC(=C(C=C3CC(N2C(=O)C1=O)(C)C)OC)OC 1 1.827 1 6 0 -10.3746784386339 1612068 CCN(CC#CCC1(C2=CC=CC=C2C3=CC=CC=C31)O)C(C)C 1 4.507 1 1 -4.14953281557885 1612038 CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)OC 1 4.387 2 2 6.93405617317152 1612028 CC(=O)C(=NNC1=CC=CC=C1Cl)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 1 6.169 5 1 -0.645081031225795 1611923 CSC1=C(C(=NC(=N1)N)SCC(=O)NC2=CC(=CC=C2)F)C#N 1 2.708 5 1 -13.1376021230845 1611891 C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N/C=C/C(=O)C4=CN=CC=C4 1 2.383 5 3 0 -3.26792907918733 1611795 C1=CC(=CC=C1CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 5.655 3 2 -6.76322952463198 1611638 CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC(=C3C(=C(SC3=N2)C)C)N 1 2.9 5 3 0 -15.8717369305637 1611627 C1=C(C=C(C(=C1[N+](=O)[O-])O)N2C=NN=N2)[N+](=O)[O-] 1 0.263 6 5 0 -11.2775792790293 1611610 COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NCCCC(=O)O)OC 1 0.856 1 8 0 -14.8425378942556 1611571 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C(=C/C3=CN=CC=C3)/NC(=O)C4=CC=CS4 1 2.995 4 2 -22.4446408083324 1611568 C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)SC4=CC=C(C=C4)Cl)/C(=O)N2 1 4.554 2 3 3.58741895847143 1611347 CC1=NN=C(S1)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N 1 1.885 7 1 0 -10.8795881239618 1611336 C/C(=C\C(=O)O)/C(=C/C1=CC=CC=C1)/C(=O)O 1 2.431 0 4 0.704047289329512 1611217 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C(=C/C3=CN=CC=C3)/NC(=O)C4=CC=CO4 1 2.437 4 3 0 -21.453640483953 1611205 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCCC3=CC=CC=C3 1 3.884 2 3 -4.79432535221797 1610987 CC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC=CC=C3SC(F)(F)F)/C#N 1 6.969 3 0 -6.75453592032606 1611092 C=CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)O 1 3.377 1 4 -19.4828222967241 1610940 CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CN=CC=C3)/SC2=S 1 3.959 2 1 -4.74548673642906 1610886 C1=CC(=CC=C1C2=CSC3=NC=NC(=C23)NCCCO)Cl 1 3.165 3 1 5.02062020790823 1610845 CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CS3 1 1.809 9 2 0 -27.7541324502195 1610772 C1COCCN1C2=CC=C(C=C2)NC3=NC(=NC4=CC=CC=C43)Cl 1 3.545 4 1 4.15861968573864 1610652 CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CS3 1 1.105 8 2 0 -26.2233310366699 1610616 CCCCN1C(=O)/C(=C/C2=CC3=CC=CC=C3OC2)/SC1=S 1 4.541 1 2 -1.69725585854347 1610608 CC1=CC2=C(C=C1)NC(C3=C2C(=NC4=CC=C(C=C4)S(=O)(=O)NC(=O)C)SS3)(C)C 1 3.876 3 3 -19.3714191732326 1610590 CC1=CC=C(C=C1)S(=O)(=O)NCCSC2=NN=NN2C3=CC=CC=C3 1 2.846 5 2 0 -17.6372014241462 1610446 COC1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC(=C(C(=C3)OC)OC)OC)/C(=O)NC2=O 1 2.588 2 7 0 -7.32002695580079 1610445 COC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/C(=O)NC2=O 1 2.588 2 7 0 -7.32002695580079 1610307 CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CC(SC4)(C)C 1 4.851 2 3 -30.2221691069905 1610179 C1=CC(=CC=C1C2=CSC(=N2)/C(=C/NC3=CC4=C(C=C3)C=NN4)/C#N)Cl 1 4.113 5 0 -5.48593792880261 1610037 C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O 1 1.705 3 6 0 -7.86211556822654 1610018 CN1C(=NN=C1SCC(=O)NCC2=CN=CC=C2)CSC3=NC4=CC=CC=C4S3 1 2.92 6 1 0 -21.457783089867 1609996 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=CC3=CC=CC=N3 1 1.373 5 3 0 -17.3792435070912 1609854 COC1=C(C=CC(=C1)C=NNC(=O)COC2=CC=C(C=C2)N3C=NN=N3)OCC(=O)N 1 0.226 7 5 0 -24.4413617203851 1609824 CCCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=C(C=C4)C 1 6.247 5 2 0 6.41446563661367 1609682 C1=CC=C(C=C1)CC(=O)NN=CC2=CC=C(O2)S(=O)(=O)[O-] 1 -0.675 2 5 0 -9.40489892171375 1609464 CCCOC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)OC(C)C 1 5.39 2 2 -7.1808770636854 1609416 CCCCC1=C(C2=C(C(=CC=C2)OC)N=C1C)SCCC(=O)O 1 4.408 1 3 -9.12968111616743 1609403 CCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=C(C=C4)Br 1 6.053 5 2 0 5.72974527970584 1609401 CC1=CC(=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC=CC=C3SC(F)(F)F)/C#N)C 1 7.456 3 0 -6.23069145833992 1609330 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 0.907 3 7 0 -12.7140766424699 1609318 C=CCCCCCCCCC1=NC(=NN1)SCC(=O)O 1 4.32 3 2 -12.1927140406069 1608826 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCCC3=CC=CC=C3 1 3.535 2 3 -5.11580948200228 1608823 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=C3C4=C(CSC(C4)(C)C)SC3=N2)N 1 4.374 4 1 -14.3519540287489 1608740 CCCCNC(=O)OC1=C(C=C2C(=C1Br)OC(=O)S2)Br 1 5.134 1 4 -5.68606957167279 1608711 COC1=C(C=C(C=C1)/C=C(/C(=O)N2CCOCC2)\NC(=O)C3=CC=CS3)OC 1 1.809 2 5 0 -23.9371948805316 1608674 COC1=CC(=C(C=C1)OC)N2C(=O)/C(=C/C3=CC=CO3)/C(=O)NC2=S 1 2.908 2 5 0 -0.897785197942469 1608673 CCN(CC)CCCNC1=C2C(=CSC2=NC=N1)C3=CC=C(C=C3)F 1 4.082 4 0 1.22767545927434 1608595 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)NCCCO 1 2.237 2 2 -1.59935364568168 1608570 C/C(=C/C(=O)[O-])/C=C\C1=CC=CC=C1 1 1.367 0 2 0 -0.798988906505107 1608550 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=NNC(=C2)C(C)(C)C 1 4.054 4 1 -4.76413184366768 1608445 CC1(CC2=C3C4=C(C(=NC=N4)NCCO)SC3=NC(=C2CO1)C5=CC=CO5)C 1 2.729 4 3 0 -4.94566092507707 1608349 C1=CC=C(C=C1)S(=O)(=O)/C(=C\C2=CC=C(O2)C3=CC(=CC=C3)Cl)/C(=O)NCC4=CN=CC=C4 1 4.615 2 4 -5.94409566332722 1608230 CCOC1=CC=C(C=C1)NC2=NC(=O)/C(=C/C(=O)OC)/S2 1 2.448 2 4 -7.17868574993666 1607994 C1CCN(CC1)C(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CS3 1 2.965 3 4 0 -20.5152345558273 1608030 C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O 1 5.167 1 3 -7.69981663570983 1607802 CC1=CC(=CC=C1)NC(=O)C(=O)NCCCC2=CC=CC=C2 1 3.151 2 2 -9.7934810248721 1607780 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=C/C=C/C3=CC=CO3 1 3.337 4 2 -1.26699251965082 1607763 CC1=C(C(=CC=C1)NC2=NC(=O)/C(=C/C3=CN=CC=C3)/S2)C 1 3.601 3 1 -1.42934179073504 1607701 COC1=CC=C(C=C1)CN2C(=O)/C(=C\C3=C(C(=C(C=C3)OC)OC)OC)/C(=O)NC2=O 1 2.588 2 7 0 -3.5214850108258 1607700 COC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C(=C(C=C3)OC)OC)OC)/C(=O)NC2=O 1 2.588 2 7 0 -3.5214850108258 1607669 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)CC(=O)N)S(=O)(=O)NCCO 1 2.414 5 4 0 -14.7821535375201 1607628 CN1C(=NN=C1SCC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-])C3=CC=C(C=C3)Cl 1 3.75 6 3 0 -5.38458736108283 1607557 CCCCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)OC)N 1 2.774 2 3 -5.09307328075417 1607515 C1COCCN1C(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC=CO3 1 0.678 2 5 0 -18.1292691761839 1607359 C1=CC=C2C(=C1)C(=O)C(=O)N2CNC3=CC=CC=N3 1 1.704 3 2 0 2.45665139836875 1606822 C1=CSC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.848 2 6 0 -18.2436137649153 1606763 C1=CC(=CN=C1)/C=C(/C(=O)NCC2=CC=CO2)\NC(=O)C3=CC=CO3 1 1.004 3 4 0 -19.9070562145243 1606479 COC1=CC=C(C=C1)C(=O)/C=C/NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.256 4 4 0 -6.69926116477407 1606660 C1CC2=C(C1)SC3=C2C(=O)NC(=N3)SCCCC(=O)NCCCO 1 1.896 3 3 0 -29.4186230376024 1606654 CN(C)CC#CCC(C1=CC=CC=C1)(C2=CC=CC=C2)O 1 3.744 1 1 -0.361842073063497 1606272 CCOCC1=CN=C(N=C1NCC(=O)C2=C(NC3=C2C=CC(=C3)C)C)C 1 2.216 4 2 -2.45112767258697 1606261 CC1=C([N+](=O)C2=C(N1[O-])CCCC2)C3=CC=C(C=C3)Br 1 2.359 2 2 -2.89468440932672 1606223 CCOC(=O)/C(=C/NC1=CC(=C(C=C1)F)F)/[N+](=O)[O-] 1 1.996 2 4 0 -1.66440430448224 1605887 CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=C(N(N=C4C)C5=CC=CC=C5)C 1 6.317 7 1 0 -11.3033642684422 1605871 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3Cl 1 5.2 2 3 -1.0076701499055 1605734 CC1=C(C=CC(=C1)NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)C)Br 1 0.685 4 4 0 -22.2531538370431 1605551 C1CCN(CC1)C(=S)SC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4 1 5.968 2 1 -4.31675587828323 1605476 C1=CC=C(C=C1)NC2=NC(=O)/C(=C\C3=CC=CS3)/S2 1 3.732 2 1 -5.94768005241482 1605475 C1=CC=C(C=C1)NC2=NC(=O)/C(=C/C3=CC=CS3)/S2 1 3.732 2 1 -5.94768005241482 1605343 C1CCC2=C(C1)C3=C(N=C(N=C3S2)SCC(=O)NCCOCCO)N 1 1.74 4 3 0 -19.5442740882836 1605305 CCCCCOC1=C(C=C(C=C1)CSC2=NCCN2)[N+](=O)[O-] 1 3.9 3 3 -10.827609082698 1605286 C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NN=CC3=CC=NC=C3 1 3.099 3 2 -5.74292610726408 1605210 CC(=O)C(=NNC1=C(C=C(C=C1)Cl)Cl)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 1 6.833 5 1 1.35518725480357 1605100 C=CCSC1=NC2=CC=CC=C2N1 1 3.045 2 0 -3.00789581447906 1604981 CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(S2)C(=O)NC3=CC=C(C=C3)N(C)C)N 1 3.198 6 2 0 -15.8128708698957 1604980 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)NCCO 1 2.175 2 2 -2.54744532993226 1604929 CCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=C(C=C4)Cl 1 5.969 5 2 0 7.18640502480728 1604848 COC1=CC=CC=C1/C=C/C=NN2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl 1 5.419 4 1 3.25199388698439 1604847 COC1=CC=CC=C1/C=C\C=NN2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl 1 5.419 4 1 3.25199388698439 1604753 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=C/C=C/C3=CC=CC=C3 1 2.455 4 3 0 -14.1987698251118 1604722 COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)C5=CC=CC=C5C4)/C(=O)NC2=O 1 4.293 2 4 0.652016446986262 1604538 CCCN1C(=O)/C(=C/C2=C(NN=C2)C3=CC=CC=C3)/SC1=S 1 4.173 3 1 -6.47519858267287 1604503 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)NC(C)(C)C 1 4.511 3 5 0 -17.3032304493099 1604499 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=NNC3=C2CCC3 1 3.289 4 1 -11.6310510803716 1604452 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NNC(=O)C3=CN=CC=C3)Cl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r)/SC2=S 1 4.39 3 2 -10.8660744045554 1602827 CCCOC1=CC=CC=C1NC(=NC(=O)COC2=CC=C(C=C2)OC)NC3=NC(=CC(=N3)C)C 1 4.214 5 4 0 -7.80549594840369 1602787 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NC2CCCCCCC2 1 3.008 4 2 -17.1703099706296 1602755 CC1=C(C=CC=C1[N+](=O)[O-])C2=CC=C(O2)C=NNC(=O)C(=O)NC3=CC=CC=C3F 1 3.74 4 5 0 -7.08366290471172 1602677 CC\1=C(C2=C(/C1=C\C3=CC=CC=C3)C(=C(C(=N2)N)C#N)C)C#N 1 3.653 4 0 -1.52976223454307 1602666 CC1=CC(=CC=C1)N2C(=O)/C(=C\C(=O)OC)/N=C2NC3=NC(=CC(=N3)C)C 1 2.487 5 3 0 -6.52458104991868 1602637 C1CCC(CC1)NC(=O)CSC2=NN=C(O2)CSC3=NC4=CC=CC=C4S3 1 4.149 4 2 -19.9875835438342 1602611 C1=CC=C2C(=C1)/C(=C\3/C(=O)N(C(=S)S3)CCS(=O)(=O)O)/C(=O)N2CC4=CC=C(C=C4)F 1 3.361 2 5 0 -8.39103557377904 1602504 COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CS3)/C(=O)NC2=S 1 3.483 2 3 -0.815980218442803 1602383 CC1=CC(=C(C=C1)NC2=NC(=O)/C(=C/C3=CN=CC=C3)/S2)C 1 3.601 3 1 -4.29370431057627 1602469 CCCCCCN(C1=CC=CC=C1)C(=O)CCl 1 3.93 1 1 -6.74109656596453 1602347 CCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)NC 1 5.166 3 1 -2.80092046861932 1602346 COC1=CC=CC=C1/C=C/C=NNC(=O)CCN2C3=CC=CC=C3N=N2 1 2.937 5 2 0 -12.365224381475 1602345 COC1=CC=CC=C1/C=C\C=NNC(=O)CCN2C3=CC=CC=C3N=N2 1 2.937 5 2 0 -12.365224381475 1602394 C1=CC=C2C(=C1)C3=C(S2)C=CC4=C3C(=O)C(=O)N4 1 2.732 1 2 -1.43716387367701 1602289 CN1C(=NN=C1SCC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-])C3=CC=CC=C3 1 3.085 6 3 0 -7.68110246798485 1602184 CCC1=CC=C(C=C1)C(=O)/C=C/NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3 1 4.476 4 3 0 -0.563918106891388 1602046 C1COCCN1C(=O)/C(=C/C2=CN=CC=C2)/NC(=O)C3=CC=CO3 1 0.133 3 4 0 -19.5974856103896 1602029 COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC(=CC=C3)O)O 1 3.38 2 5 0 -6.58563658867321 1602005 CCOC(=O)NNC(=O)CCN1C2=C(CCCC2)C3=CC=CC=C31 1 3.181 3 3 -8.5807286379701 1601813 CCCCCCCCCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1NC(=O)C4=CC=CC=C4[N+](=O)[O-] 1 5.949 4 5 0 -28.1267713168798 1601759 COC1=CC=CC=C1/C=C/C=NN2C(=NNC2=S)C3CCCCC3 1 4.553 4 1 -1.04453041691763e-002 1601758 COC1=CC=CC=C1/C=C\C=NN2C(=NNC2=S)C3CCCCC3 1 4.553 4 1 -1.04453041691763e-002 1601742 CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 1.363 5 4 0 -17.4761599062631 1601737 CN(C)CCCOC(=O)C1=CC=C(C=C1)Cl 1 2.55 1 2 -1.14881840255129 1601677 CC1=CC(N2C3=C(C=C(C=C13)OC(=O)C4=CC(=C(C=C4)OC)OC)C(=O)C2=O)(C)C 1 3.525 1 6 0 -12.6944064853772 1601518 CCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC=CN=C3 1 4.142 4 3 0 -1.76924838775838 1601400 C1=CC=C(C(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3S2)OCC(=O)O 1 3.167 3 4 0 -13.1193350632141 1601284 COC1=C(C=C(C=C1)/C=C(/C(=O)N2CCCCC2)\NC(=O)C3=CC=CC=C3)OC 1 3.085 2 4 -22.6441096271184 1601190 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCCO 1 0.785 1 5 0 -6.50890607518367 1601139 CCN(CC)C1=CC=C(C=C1)SS(=O)(=O)O 1 2.613 1 3 -5.72068697551555 1601032 C1=CC=C(C=C1)/C=C/C=NNC2=NN3C=NN=C3C=C2 1 2.039 6 0 2.49778341673026 1600965 CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CN=CC=C3 1 0.705 10 2 0 -26.3948262013345 1600929 CN1CCN(CC1)C(=O)/C(=C/C2=CC=CS2)/NC(=O)C3=CC=CO3 1 1.506 3 3 0 -14.7030846951237 1600860 C1=COC(=C1)/C=C/C=NN2C(=NNC2=S)C3=CC=NC=C3 1 2.352 5 1 0.985629949692624 1600703 CCN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC=NC=C3)C4=CC=CC=C41 1 3.58 4 1 -2.22391368767006 1600641 CC1=CC=CC\2=C1CC(N/C2=C\C(=O)N)(C)C 1 1.678 2 1 0 -4.15597448785259 1600442 CCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC=CN=C3 1 3.229 4 3 0 -1.76924838775838 1600362 CC1=CC(=C2C(=C1)C(=CC(=N2)C)NC3=CC=C(C=C3)C(=O)NCCO)C 1 3.49 3 2 -2.17583233132704 1600287 CC1=C(SC2=NC=NC(=C12)N[C@@H](CCSC)C(=O)O)C 1 2.384 3 2 -12.9140432496179 1600135 CCCSC1=NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)N1CC=C 1 5.923 2 1 -24.9332054383313 1600110 CC1=C([N+](=O)C(=C(N1[O-])C)C2=CC=CS2)C 1 0.888 2 2 0 -2.67517514416988 1599985 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=NNC(=C2)C3=CC=CS3 1 4.125 4 1 -6.37823168749762 1599944 CCCCN(CCCC)CC1=CC2=CC=CC=C2C3=C1COC3 1 5.026 1 1 1.83747072165073 1599902 C1=CC=C(C=C1)C2=CSC3=NC(=O)/C(=C/C4=CC=C(O4)C5=CC(=CC(=C5)Cl)Cl)/C(=N)N23 1 6.094 3 2 -3.2977750082974 1599870 CC1=C(C(=C(C=C1)S(=O)(=O)O)C)N2CCCC2=O 1 1.716 1 4 0 -12.6234053441176 1599825 C1=CC=C(C(=C1)C(=O)NCCCCCC2=NC3=CC=CC=C3N2)Cl 1 4.476 3 1 -10.0000094264469 1599554 CC(C)N1C(=O)/C(=C/C2=C(NN=C2)C3=CC=CC=C3)/SC1=S 1 4.027 3 1 -3.56868738399935 1599323 CC1=CC=C(C=C1)S(=O)(=O)NCCSC2=NN=CN2C 1 1.529 4 2 0 -15.0921223373155 1599526 CC1=C(C2=CC(=C(C=C2O1)Br)OCC(=O)N)C(=O)OCCOC 1 1.589 1 6 0 -15.9464152657086 1599523 CC1=CC=C(O1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl 1 5.559 5 2 0 -8.93201973419502 1599521 CC(=O)C(=NNC1=CC=C(C=C1)Cl)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 1 6.169 5 1 2.26235123215769 1599171 C1=NC(=NN1CCN2C=NC(=N2)[N+](=O)[O-])[N+](=O)[O-] 1 0.241 8 4 0 -4.26196542638118 1599283 CC(C)C1=CC=C(C=C1)/C=C(/C)\C=NNC(=O)CSC2=CC=CC=N2 1 4.466 3 1 -11.4654472554864 1599281 CC(C)C1=CC=C(C=C1)/C=C(\C)/C=NNC(=O)CSC2=CC=CC=N2 1 4.466 3 1 -11.4654472554864 1599104 CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CSC4=NN=CN4C 1 3.929 4 1 -33.2129804800269 1598876 CC(=O)CSC1=NNC(=N1)CCCCCCCCC=C 1 4.421 3 1 -9.81775418476914 1598753 CC1=CC(=NC(=N1)NC2=NC(=O)/C(=C/C(=O)OC)/N2C3=CC=C(C=C3)OC)C 1 1.984 5 4 0 -6.91552820939523 1598585 CC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN=C/C(=C\C3=CC=CO3)/C 1 4.905 4 2 -16.3520938244133 1598508 CCCCC1=C2CCCC2=C3C4=C(C(=O)NC(=S)N4)SC3=N1 1 5.056 3 1 -9.52299045579686 1598211 COC1=CC=CC(=C1)C(=O)/C=C/NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3 1 3.517 4 4 0 -2.15610299987864 1598167 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=C(N(N=C4C)C5=CC=CC=C5)C 1 5.659 6 2 0 -21.9765376460607 1598266 COC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC)/C#N 1 5.276 3 3 -12.3075895865552 1598265 C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC(=C(C(=C3)Cl)O)Cl)/SC2=S 1 5.717 1 2 -2.2356782267637 1598195 CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)CN5CCCCC5)O 1 5.482 2 5 0 5.00613798042937 1598118 CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CN=CC=C3)/SC2=S 1 3.959 2 1 -2.95911817836145 1597975 CC1=CC=C(C=C1)S(=O)(=O)NCCSC2=NC=CC=N2 1 2.16 3 2 -6.6206326970184 1597875 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C(=C/C3=CC=CO3)/NC(=O)C4=CC=CO4 1 2.983 3 4 0 -19.9854240497473 1597815 CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C 1 3.902 4 1 11.4263588460762 1597802 C/C(=C\C1=CC=CC=C1)/C=NN2C(=NNC2=S)C3=CN=CC=C3 1 3.403 5 0 -6.1844982011857 1597719 CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=C(C5=C(S4)CCCC5)C#N)C)/C(=O)NC2=O 1 5.348 4 3 0 -12.230796335628 1597711 CC1=CC=C(C=C1)S(=O)(=O)NCCOC2=NC(=NC(=C2)C)SC 1 2.965 3 3 -8.50353278893095 1597617 CCCCOC(=O)CC1=C(NC2=CC=CC=C2C1=O)O 1 2.831 1 4 -8.39457317284727 1597494 C=CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=C(C=C3)F)[O-] 1 2.452 2 3 -8.72595766894478 1597477 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCCCO 1 0.847 1 5 0 -5.68114462797591 1597467 CCCCCCC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(N4CCCC5=CC=CC(=C54)C3=O)O 1 5.027 4 4 0 -9.62346354177428 1597455 CCCOC1=C(C=C(C=C1)CSC2=NCCN2)[N+](=O)[O-] 1 2.988 3 3 -10.3300886586335 1597362 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3C 1 5.022 2 3 -3.57302719732394 1597354 C1=CC=C(C=C1)C2=NNC(=S)N2N=C/C=C/C3=CC=CO3 1 3.502 4 1 1.070912732295 1597340 COC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CS2)/NC(=O)C3=CC=CO3 1 2.903 2 4 -14.9151883324224 1597251 C=CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=C(C=C3)Br)[O-] 1 2.995 2 3 -9.07249574892465 1597162 C1=CC(=CC=C1CSC2=NN=NN2C3=CC(=C(C=C3)Cl)C(=O)O)[N+](=O)[O-] 1 3.572 5 4 0 -19.4313298040783 1597144 CCCCCCC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(N4CCC5=CC=CC(=C54)C3=O)O 1 4.571 4 4 0 -8.14848451040718 1597096 CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CSC4=NCCS4 1 5.306 2 1 -28.4717369559697 1597093 COC1=C(C=C(C=C1)C=NNC(=O)C(=O)N2CCCCCC2)[N+](=O)[O-] 1 1.83 4 5 0 -13.572510353596 1596915 CC1=CSC(=N1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CS4)N 1 3.249 4 1 -7.59937708919809 1596882 CC1=NC(=NN1)S/C(=C\C2=CC=C(C=C2)OCC3=CC=CC=C3Cl)/C(=O)O 1 4.523 3 3 -1.31034287606839 1596863 CCCCN1C2=C(C=C3C=C(C=CC3=N2)OC)C(=N1)NC(=O)CCC 1 4.159 4 2 -12.1651785243204 1596860 CC1=CC(=NN1)C2=NNC(=S)N2N=C/C=C/C3=CC=CC=C3 1 3.125 6 0 -0.256306498356079 1596832 COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC(=S)N3CCOCC3 1 2.671 6 2 0 -10.1763108001899 1596817 C1=CC=NC(=C1)NNC(=O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)Cl 1 0.916 5 4 0 -6.96766664615713 1596493 CCCNC1=NC(=NC(=N1)NCC2=CN=CC=C2)Cl 1 1.821 6 0 0 -3.27765615257183 1596458 CC1=C(SC=C1)C=NN2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35 1 4.844 3 0 0.562964624572982 1596435 CC(C)COC1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)C4=CC=CC=C4 1 5.877 3 4 0 -2.03996515100566 1596211 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(N3)C=C(C=C4)OC 1 2.561 6 4 0 -14.9868022661455 1596206 CC1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)CCNC=C3C(=O)CC(CC3=O)(C)C)C 1 1.874 4 3 0 -16.5513626835982 1596204 C1CC2=C(C1)SC3=C2C(=O)NC(=N3)SCCCC(=O)NCCO 1 1.833 3 3 0 -30.5221807153908 1596134 C1=CC2=C(C=C1S(=O)(=O)NCC(=O)O)C(=O)C3=C2C=CC(=C3)S(=O)(=O)NCC(=O)O 1 -0.293 2 9 0 -11.8247020088959 1596109 CCCCCCCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1N 1 3.61 3 2 -21.9470932283336 1595966 C1COCCN1CCNC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3 1 -9.5e-002 3 5 0 -13.871828316093 1595682 C1=COC(=C1)/C=C/C=NN2C(=NNC2=S)C3=CC=CO3 1 2.897 4 2 1.24120192731871 1595670 CCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=CC=C4 1 5.304 5 2 0 4.2999836979719 1595371 CCCCN1C(=O)/C(=C/C=C/C2=CC=CO2)/C(=O)NC1=S 1 3.161 2 3 2.02942693651642 1595302 CCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(SC=C3)C(=O)OC 1 4.8 2 5 0 -5.58969751098282 1595217 CN(C)CCCNC1=NC=NC2=C1C=NN2C3=CC=CC=C3 1 1.753 6 0 0 3.11289804708118 1595148 C1=CC(=CC(=C1)O)C(=O)NCCNC(=O)C2=CC(=CC=C2)O 1 1.41 2 4 0 -5.37796821158909 1595035 COC1=CC=CC=C1/C=C/C=NN2C(=NNC2=S)C3=CC=CO3 1 3.486 4 2 1.38220066020989 1595007 C1=CC=C2C=C(C=CC2=C1)C(=O)/C=C/NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 3.181 4 3 0 -4.45408209691932 1594930 CCCCC(=O)NC1=NC=C2C(=N1)CC(CC2=O)(C)C 1 2.258 3 2 -18.9408287272445 1594786 C/C(=C\C1=CC=CC=C1)/C=NNC2=NN3C=NN=C3C=C2 1 2.485 6 0 -4.9207381834143 1594723 COC(=O)NC1=CC=C(C=C1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.285 2 5 0 -6.33982960820139 1594702 CC1=CC=C(C=C1)N(C2=NCCC2)C(=O)NC3=CC=CC=C3 1 3.515 3 1 -4.00608704748509 1594685 CCCCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O 1 2.518 2 3 -6.0583010450501 1594662 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C/C4=C5C=CC=CC5=CC6=CC=CC=C64)/SC3=S 1 5.533 3 2 -8.07487789254035 1594586 C1CCCC2(CC1)C(=O)N(C(=O)N2)CCS(=O)(=O)OC3=CC=CC=C3 1 2.636 2 5 0 -7.04280162430932 1594567 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 1 1.588 3 6 0 -8.38594052342772 1594462 C1=CC=C(C=C1)C(=O)NN2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/SC2=S 1 3.51 2 4 -10.8796805105131 1594444 C1=CC(=CC(=C1)O)N2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 4.335 1 2 -2.4842700587366 1594367 CN1CCN(CC1)NC(=O)CN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S 1 2.442 4 2 -4.92675896197277 1594354 CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)CN3C(=O)/C(=C\C4=CC=C(C=C4)C)/SC3=S 1 5.497 3 2 -12.134361901385 1594334 C1=CC=C(C(=C1)C(=O)NN2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/SC2=S)[N+](=O)[O-] 1 3.405 3 6 0 -14.1174017146442 1594306 CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/SC2=O 1 4.008 1 6 0 -6.53444354508942 1594288 C1CN(CCC1C(=O)N)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 0.207 2 5 0 -16.8415380751102 1594285 C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CCCCl 1 1.487 3 2 0 -11.4893309928036 1594276 C1=CC=C(C=C1)N2C(=NN=N2)SCCOC3=CC=CC=C3 1 3.432 4 1 -13.5689261811502 1593681 C1=COC(=C1)C(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.014 3 8 0 -22.4257014303933 1593647 C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)NNC(=O)CCCC(=O)O 1 3.327 4 3 0 0.20697565419086 1593351 CCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC=CN=C3 1 3.686 4 3 0 -1.76924838775838 1593216 C1=CC=C(C(=C1)C=NNC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl)Cl 1 5.546 4 1 -12.657503605747 1593214 COC1=CC=C(C=C1)C=NNC(=O)C2=C(C3=C(N2)C=CC(=C3)Br)C4=CC=CC=C4 1 5.518 3 2 -1.21638021300859 1592843 C1COCCN1CCCNC(=S)NC2=CC(=CC=C2)Cl 1 3.065 3 1 -7.88008500515597 1591978 CCCCC1=C(C2=C(C=CC(=C2)C)N=C1C)SCCC(=O)O 1 4.911 1 2 -6.27320134002275 1591961 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NN3C(=O)/C(=C\C4=CN=CC=C4)/SC3=S 1 4.259 3 2 -12.95628308067 1591958 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NN3C(=O)/C(=C/C4=CN=CC=C4)/SC3=S 1 4.259 3 2 -12.95628308067 1591878 C1=CC=C(C=C1)C(=O)NN2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 3.834 2 2 -10.8106033295108 1591868 C1=CC(=CN=C1)N2C(=O)/C(=C/C3=CC=CO3)/SC2=S 1 2.868 2 2 -4.77889571965319 1591814 COC1=CC=CC=C1NC(=O)/C(=C/C2=CC=CS2)/NC(=O)C3=CC=CO3 1 2.903 2 4 -17.9046750225051 1591624 C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)/C(=C\C4=CC=CO4)/S3 1 3.433 3 2 -1.92438107888331 1591623 C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)/C(=C/C4=CC=CO4)/S3 1 3.433 3 2 -1.92438107888331 1591599 CC1=CC(=C(C=C1)NC2=NC(=O)/C(=C\C(=O)OC)/S2)C 1 3.088 2 3 -5.15189320169043 1591577 C(CC(=O)O)CNC1=NNC(=O)NC1=O 1 -1.386 4 4 0 -22.9294964772252 1591531 CC(C)C1=CC=C(C=C1)/C=C/C(=O)NCC=C 1 3.316 1 1 -9.04231541032438 1591522 C=CCNC(=O)C1=C(C=C(C=C1)Cl)Cl 1 2.983 1 1 -7.25893441462602 1591469 CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CC 1 2.801 1 3 -10.0561939768967 1591446 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC 1 3.326 1 4 -10.1383021933743 1591371 CCCCNC(=O)/C=C/C1=CC(=C(C=C1)OC)Br 1 3.566 1 2 -9.22352896997106 1591203 C1=CC=C(C(=C1)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])F 1 3.08 3 5 0 -16.5159750800069 1591191 COC1=CC(=C(C=C1)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC 1 2.842 3 7 0 -19.7324080106495 1591181 COC1=CC=CC=C1NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 2.858 3 6 0 -18.7928386805485 1591164 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 2.613 3 9 0 -27.1005451240689 1591163 C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)NC3=NC=CS3 1 0.638 4 5 0 -16.3018461367751 1591160 CCOC(=O)CC1=CSC(=N1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 1.306 4 7 0 -20.9267107738932 1591123 COCCN(CCOC)C1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl 1 3.492 3 2 7.03113231864672 1591115 C1COCCN1CCCNC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl 1 3.436 4 1 8.49626842257907 1591099 CN(C)CCCNC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl 1 3.749 4 0 10.7371232694327 1591096 COCCCNC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl 1 3.479 3 1 7.23982449622988 1590983 CC(C)C1=NN=C(N1N)SCC2=CC=C(C=C2)CSC3=NN=C(N3N)C(C)C 1 3.688 8 0 0 -11.4428453566848 1590981 CCCSC1=NN=C(N1N)C(C)C 1 2.048 4 0 -10.4741931929211 1590971 C/C(=C\C1=CC=CC=C1)/C=NNC(=O)CC2=CC(=O)NN2 1 0.641 4 2 0 -10.0560754494418 1590944 C=CCNC1=NC(=C(S1)CC(=O)O)C2=CC=CS2 1 2.636 2 2 -9.71333563472998 1590925 CCN(CC)C(=S)SCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N 1 2.243 3 3 -15.79816215068 1590894 C1=CC(=CC=C1NC(=O)CCCCC(=O)NC2=CC=C(C=C2)F)F 1 3.273 2 2 -6.94000718736598 1590889 C1=CC(=CC=C1NC(=O)CCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N 1 0.273 4 6 0 -13.3222802466711 1590856 C1=CC(=CC(=C1)NC(=O)CCCCC(=O)NC2=CC=CC(=C2)C(=O)N)C(=O)N 1 0.867 4 4 0 -11.4597794508904 1590813 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)Cl 1 5.461 1 1 1.04108636680912 1590575 CCN(CC)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CS3)/SC2=S 1 5.437 2 1 -10.1814402172116 1590574 CCN(CC)C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 5.437 2 1 -10.1814402172116 1590140 CCCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)C=C(N2)C 1 2.067 3 3 -12.6757461147671 1589806 CCCCOC1=C(C2=C(C=C1)C(=CC(=O)O2)C)OCCCC 1 4.97 0 4 -4.08628963746185 1589789 C1=CC=C2C(=C1)NC(=N2)CSCCOC3=CC=C(C=C3)Cl 1 4.384 2 1 -0.108246007620136 1589785 CC1=CC=C(C=C1)OCCSCC2=NC3=CC=CC=C3N2 1 4.205 2 1 -1.93024469820695 1589781 CC1=CC(=CC=C1)OCCSCC2=NC3=CC=CC=C3N2 1 4.205 2 1 -0.935796135592942 1589778 CC1=CC=CC=C1OCCSCC2=NC3=CC=CC=C3N2 1 4.205 2 1 -1.76023941179344 1589774 CCCCCCCN(C1=CC=CC=C1C)C(=O)CCl 1 4.872 1 1 -9.6564844430271 1589754 C1=CC=C(C=C1)C2=NC(=NS2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 1 3.211 7 1 0 -16.228148580133 1589746 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N 1 2.949 3 4 0 -14.8516944036862 1589731 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC4=NC=NN4 1 3.387 4 4 0 -7.36135925860343 1589611 COC1=CC=C(C=C1)N2C3=C(CCCC3)C(=S)N=C2C4=CC=C(C=C4)Br 1 5.899 2 1 -6.96226349819682 1589554 CC1=CC=C(C=C1)OCC2=NC(=C(O2)NCC=C)C#N 1 2.831 3 2 -9.56368400250285 1589551 CC(C)CN=C(C(Cl)(Cl)Cl)NS(=O)(=O)C1=CC=CC=C1 1 3.655 2 2 -6.74982728163209 1589547 CC(C)N=C(C(Cl)(Cl)Cl)NS(=O)(=O)C1=CC=CC=C1 1 3.19 2 2 -5.84557950017952 1589533 CC(C)(C(C)(C)OC(=O)NC(=O)C(F)(F)F)OC(=O)NC(=O)C(F)(F)F 1 2.762 2 6 0 -5.64704944627014 1589481 C1=CC=C(C(=C1)CSC2=NN=C(S2)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O)Cl 1 4.512 4 3 0 -19.0352334965259 1589171 C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)/C=C\C(=O)O)N 1 1.052 5 3 0 -1.31912626276275 1589133 CCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=C(C=C4)C 1 5.791 5 2 0 5.36440633422046 1588954 CCCCNC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl 1 3.545 5 0 3.45312895427623 1588937 CC1=CC=C(C=C1)N(C(=O)OC)NC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 4.048 2 4 -17.7209439709911 1588904 CN1C(=NN=C1SC/C=C/C2=CC=CC=C2)C3=CC=CS3 1 4.413 3 0 -4.03255574822587 1588522 COC1=C(C=C(C=C1)/C=C(/C(=O)NC2=CC=CC3=CC=CC=C32)\NC(=O)C4=CC=CS4)OC 1 4.4 2 4 -20.2580853908196 1588598 C1=CC=C(C(=C1)OP(=O)(NC2=CN=CC=C2)OC3=CC=CC=C3Cl)Cl 1 4.468 2 3 -0.837860946983153 1588252 CCN1/C(=C\C=C/2\C(=O)N(C(=S)S2)C)/SC(=C1C3=CC=CC=C3)C4=CC=CC=C4 1 5.827 2 1 0.360327926407309 1588251 CCN1/C(=C/C=C\2/C(=O)N(C(=S)S2)C)/SC(=C1C3=CC=CC=C3)C4=CC=CC=C4 1 5.827 2 1 0.360327926407309 1588209 CCN(CC)CC#CCC(C1=CC=CC=C1)(C2=CC=CC=C2)O 1 4.441 1 1 -1.42890310926584 1588141 COC1=CC=C(C=C1)C2=NN=C(O2)SCC#C 1 3.388 2 2 -7.13906423614499 1588119 COC1=CC(=CC=C1)OP(=O)(NC2=CC=CC=C2)OC3=CC=CC(=C3)OC 1 4.257 1 5 8.65645579871539e-002 1588118 CCCCCOC1=CC=C(C=C1)NP(=O)(C)OC2=C(C=C(C=C2)Cl)Cl 1 5.471 1 3 6.39284914804586 1588111 CCN(C1=CC=CC=C1)C(=O)CCCCC(=O)N(CC)C2=CC=CC=C2 1 3.972 2 2 -9.7454139272385 1588040 C#CCSC1=NN=C(O1)C2=C(C3=CC=CC=C3S2)Cl 1 5.222 2 1 -5.29179338251733 1588035 CCCCCCSC1=NNC2=NC(=O)C=C(N21)N 1 2.517 5 1 -16.0887311848501 1588033 CCCCSC1=NNC2=NC(=O)C=C(N21)N 1 1.605 5 1 0 -14.5120424041865 1588017 C1CC2=CC=CC=C2N(C1)C(=O)C(=O)C3=CNC4=CC=CC=C43 1 3.53 2 2 -3.95356513892081 1588015 CC1=CC(=NC2=NN=C(N12)SCC#N)C 1 1.599 5 0 0 -13.9820028100276 1588011 CC1=CC(=NN1C2=NN=C(N2N(S(=O)(=O)C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=C(C=C4)OC)C)C 1 2.717 6 6 0 -9.46285142884331 1587997 C1=CC=C(C=C1)C2=CC3=C(N=CN=C3S2)NCCOCCO 1 2.599 3 2 0.383454612481096 1587961 CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N4C(=N3)C5=CC=CC=C5C(=N4)NCCCN6CCOCC6 1 3.643 5 2 0 2.28464456328462 1587924 CN(C)CCCNC1=NN2C(=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Cl)C5=CC=CC=C51 1 4.133 5 1 6.34749810072501 1587900 C1C(=O)N(C(=NN=CC2=CC=CC=C2)S1)CC3=CC=CO3 1 2.922 3 2 -10.5831148738287 1587875 CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CN=CC=C2 1 2.103 3 2 -12.9103939372185 1587870 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC=C(C=C3)C 1 3.418 4 3 0 -10.1562999343499 1587868 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CN=CC=C2 1 1.754 3 2 0 -12.1441707855104 1587849 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)NC(=O)C)S(=O)(=O)NCCO 1 2.497 5 4 0 -15.8542827621189 1587838 CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=CC=CC(=N2)C 1 3.448 3 2 -11.4016216211969 1587827 CC1=NC(=CC=C1)NC(=O)/C(=C/C2=CC=C(C=C2)Cl)/C#N 1 3.257 3 1 -8.19176409250517 1587823 CC1=NC(=CC=C1)NC(=O)/C(=C/C2=CC=CC=C2Cl)/C#N 1 3.257 3 1 -9.94849629754125 1587811 C=CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=N2 1 2.91 3 2 -16.2341986962209 1587805 CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=N2 1 2.642 3 2 -11.3717545962305 1587789 CC(C)(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=N2 1 3.71 3 1 -7.61443108626699 1587771 C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=N2)Cl 1 2.974 3 1 -10.1983175203152 1587720 CC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)NCCCN3CCOCC3 1 2.024 2 3 -5.5095355209809 1587717 CC1=C(C(=C(C=C1)S(=O)(=O)NCCOC)C)C 1 2.068 1 3 -7.74843463893852 1587715 COCCNS(=O)(=O)C1=C(C=CC(=C1)Br)OC 1 1.342 1 4 0 -9.06170718002553 1587660 C1CCC2=C(C1)C3=C(N=C(N=C3S2)SCC4=NN=C(N4C5=CC=CC=C5)SCC(=O)O)N 1 4.838 6 2 0 -22.2127405737399 1587622 C1CCC(C1)N=C(C(F)(F)F)NS(=O)(=O)C2=CC=CC=C2 1 3.275 2 2 -4.40059188672658 1587467 CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C(=CS3)C4=CC=CS4)C(=O)OC)C 1 4.574 3 3 -18.582421698397 1587460 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NN=C(S3)C 1 2.388 7 0 0 -10.6549185091515 1587414 CC1=CC=C(C=C1)S(=O)(=O)ON=C2C=CC(=O)C(=C2C)C 1 3.478 1 4 0.980818981613078 1587413 CC1=C(C(=O)C=CC1=NOS(=O)(=O)C2=CC=CC=C2)C 1 2.992 1 4 0.273105936710724 1587352 CC\1(C2=CC=CC=C2N(/C1=C\C(=O)C(F)F)C)C 1 3.154 1 1 7.07747917773799 1587345 CC1C/C(=C\C2=CN=CC=C2)/C(=O)/C(=C/C3=CN=CC=C3)/C1 1 3.088 2 1 -1.03343878740591 1587343 CCOCCC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 2.173 3 2 -17.3040968412151 1587283 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)NCC2 1 5.7e-002 2 4 0 -23.4396398196101 1587154 C1=CC(=CC(=C1)NC(=O)CCN2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/SC2=S)C(=O)O 1 4.226 2 4 -12.5820123281797 1587127 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O)OC 1 3.528 2 6 0 -19.0953676195164 1587117 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC(=C3)C(=O)O)OC 1 3.528 2 6 0 -19.1756002283995 1586994 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=CC=C3)O 1 3.64 2 6 0 -13.9635326543589 1586992 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=C3O 1 3.64 2 6 0 -13.2203292293485 1586928 CC1=NC2=C(C=CC=C2OC3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)Cl)C=C1 1 5.863 3 1 4.46388096154216 1586862 COC1=CC(=CC=C1)OCCSC2=NN=C3N2C4=CC=CC=C4S3 1 4.663 3 2 -5.70065471570002 1586875 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC3=C4C=C(SC4=NC=N3)C5=CC=CC=C5 1 5.789 3 3 -3.93545541413944 1586905 CC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1 1 2.455 2 1 -14.5582278171008 1586757 COC1=CC=C(C=C1)/C=C(/C(=O)NCCC2=CNC3=CC=CC=C32)\NC(=O)C4=CC(=C(C=C4)OC)OC 1 4.143 3 5 0 -26.0885742676276 1586682 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCCC3=CC=CC=C3 1 4.407 2 3 -5.69550114468348 1586676 CC(=O)N1CCN(CC1)C2=NC(=O)/C(=C\C3=CC=CS3)/S2 1 1.579 3 2 0 -9.56508459882718 1586661 C1=CC(=C(C=C1C=NNC(=O)C2=NC=CN=C2)[N+](=O)[O-])Cl 1 1.369 5 3 0 -9.70573048796369 1586454 CC1=CC=CC=C1OCC(=O)NNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.325 3 5 0 -11.8078399776442 1586301 C=CCCCCCCCCC1=NC(=S)NN1 1 4.157 3 0 -5.70995793264883 1585136 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)/C=C\C3=CC=CO3 1 3.421 2 2 1.36663554617701e-002 1585134 C=CCNC(=S)NN=CC1=CC(=CC=C1)[N+](=O)[O-] 1 2.742 4 2 -12.6285638275882 1585073 CCCCCOC1=C(C=C(C=C1)/C=C/C(=O)NCCC2=NC3=CC=CC=C3N2)OC 1 4.798 3 3 -11.4695631033773 1585019 C1=CC=C(C=C1)/[N+](=C\C2=CC=CO2)/[O-] 1 1.892 1 2 0 -1.0773279750581 1584962 CCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N=C(S2)N)OC 1 2.836 2 3 -6.82481296751912 1584945 CCOC1=CC=C(C=C1)/C=C\2/C(=O)NC(=S)N2 1 2.162 2 2 -8.49378461744062 1584915 CCN(CC)C(=S)SCC(=O)C1=C(NC2=CC=CC=C21)C 1 4.597 2 1 -4.01466347555508 1584788 CC1=C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)C(=O)OC(C)C 1 2.419 0 6 -13.7348975020782 1584771 C1=CC=NC(=C1)C2=CC3=C(C=C(C=C3)OCC4=C(C(=C(C(=C4F)F)F)F)F)OC2=O 1 5.25 1 3 -0.687473889215276 1584738 CC1=C(C2=C(O1)C=CC(=C2)OC(=O)COC3=C(C(=C(C(=C3F)F)F)F)F)C(=O)OC(C)C 1 5.155 0 6 -12.479623865656 1584595 C1=CSC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.836 2 4 -16.6219206553647 1584593 C1=CSC(=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.836 2 4 -16.6219206553647 1584588 C1=CC=C(C(=C1)NC(=O)CCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S)O 1 3.964 2 3 -11.618858809879 1584574 C1=CC=NC(=C1)NC(=O)CCN2C(=O)/C(=C\C3=CC=CS3)/SC2=S 1 3.273 3 2 -13.8944873238897 1584572 C1=CC=NC(=C1)NC(=O)CCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 3.273 3 2 -13.8944873238897 1584561 C1CSC(=N1)NC(=O)CCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 3.373 3 2 -20.8356260338594 1584502 C1=CC=C(C(=C1)/C=C/C=NNC(=O)CC2=CC=CS2)[N+](=O)[O-] 1 2.926 3 3 -4.52508098237164 1584445 COC1=CC=CC=C1N2CCN(CC2)N=C/C=C\C3=CC=CO3 1 2.932 3 2 5.20481120121947 1584560 C1CSC(=N1)NC(=O)CCN2C(=O)/C(=C\C3=CC=CS3)/SC2=S 1 3.373 3 2 -20.8356260338594 1584557 C1=CC(=CC(=C1)NC(=O)CCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S)C(=O)O 1 3.515 2 4 -16.0334403757635 1584359 C1=CC=NC(=C1)C(=O)NN=C/C=C\C2=CC=CO2 1 1.716 3 2 0 -4.11277379615301 1584363 C/C(=C\C1=CC=CO1)/C=NNC(=O)C2=CC=CC=N2 1 2.163 3 2 -8.1578135088878 1584500 C1=CC=C(C(=C1)/C=C\C=NNC(=O)CC2=CC=CS2)[N+](=O)[O-] 1 2.926 3 3 -4.52508098237164 1584499 C1=COC(=C1)/C=C/C=NNC(=O)CC2=CC=CS2 1 2.426 2 2 -4.3863842394787 1584498 C1=COC(=C1)/C=C\C=NNC(=O)CC2=CC=CS2 1 2.426 2 2 -4.3863842394787 1584495 C/C(=C\C1=CC=CO1)/C=NNC(=O)CC2=CC=CN2C 1 2.51 3 2 -8.65687366669965 1584491 CC1=CC=C(S1)C=NNC(=O)CC2=CC=CN2C 1 2.408 3 1 -5.83063358951495 1584401 C1=COC(=C1)/C=C\C=NNC(=O)C2=CC=CS2 1 2.392 2 2 -2.36322382480133 1584402 C1=COC(=C1)/C=C/C=NNC(=O)C2=CC=CS2 1 2.392 2 2 -2.36322382480133 1584405 C1=CC=C(C(=C1)/C=C\C=NNC(=O)CSC2=NC3=CC=CC=C3N2)[N+](=O)[O-] 1 3.388 5 3 0 -4.14164436238674 1584421 C/C(=C\C1=CC=CO1)/C=NNC(=O)C2=NC=CN=C2 1 1.012 4 2 0 -9.30169325908873 1584418 C1=CC=C(C(=C1)/C=C/C=NNC(=O)C2=CC=CS2)[N+](=O)[O-] 1 2.891 3 3 -2.50192056769427 1584416 C1=CC=C(C(=C1)/C=C\C=NNC(=O)C2=CC=CS2)[N+](=O)[O-] 1 2.891 3 3 -2.50192056769427 1584412 C/C(=C\C1=CC=CO1)/C=NNC(=O)C2=CC=CS2 1 2.838 2 2 -6.40826353753611 1584407 C1=CC=C(C(=C1)/C=C/C=NNC(=O)CSC2=NC3=CC=CC=C3N2)[N+](=O)[O-] 1 3.388 5 3 0 -4.14164436238674 1584348 C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 3.847 4 3 0 -18.2020687267297 1584315 C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN=CC3=C(C=C(C=C3)Cl)Cl 1 5.546 4 1 -12.2506785601189 1584296 C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN=CC3=C(C=CC=C3Cl)Cl 1 5.546 4 1 -17.2778208255557 1584291 C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN=CC3=CC=CC=C3OCC(=O)O 1 3.682 4 4 0 -20.2742189814384 1584264 C/C(=C\C1=CC=CO1)/C=NNC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 2.767 4 2 -3.69130380413239 1584261 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NN=C/C=C/C3=CC=CO3 1 2.321 4 2 0.353735908602399 1584259 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NN=C/C=C\C3=CC=CO3 1 2.321 4 2 0.353735908602399 1583996 CCS(=O)(=O)C1=CC(=C(S1)SC2=CC=CC=C2NC(=O)C)[N+](=O)[O-] 1 2.749 2 5 0 -16.1750414727148 1583929 CC1=CC=C(C=C1)C(=O)NC(=S)NCCCN2CCOCC2 1 2.286 3 2 -12.8173491753366 1583946 CCOP(=O)(C1=C(OC(=N1)C2=CC=CC=C2)NCC3=CC=CC=C3)OCC 1 3.647 2 4 3.21985802118647 1583840 CC1=C(C2=C(O1)C=CC(=C2)OCC(=C)C)C(=O)OCCOC 1 3.05 0 5 -12.4624303360645 1583795 CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-] 1 6.216 1 5 -4.50186607639015 1583757 CCOC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC=CC=C3 1 3.596 0 4 -8.80902749702739 1583751 CCCCOC(=O)COC1=CC(=CC2=C1C3=C(CCC3)C(=O)O2)C 1 4.382 0 5 -15.3060630057025 1583639 C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NCCO 1 0.83 1 3 0 -6.52713824109477 1583620 C/C(=C\C1=CC=CC=C1)/C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 4.389 4 1 -7.1480199590456 1583581 CC1=CC(=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=S)N)[N+](=O)[O-] 1 3.592 3 3 -5.98263347161714 1583576 COCCNS(=O)(=O)C1=C(C=CC(=C1)F)OC 1 0.799 1 4 0 -9.34734314551346 1583575 COC1=C(C=C(C=C1)F)S(=O)(=O)N2C=NC3=CC=CC=C32 1 2.891 2 3 -6.70032361847654 1583573 CC1=NN(C=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)OC 1 2.561 2 3 -9.73338767138133 1583431 CC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OCCOC2=CC=CC=C2 1 3.508 1 3 -3.16862760646995 1583356 COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)OC 1 1.619 2 6 0 -12.0723739064697 1583355 COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NC3=CC=C(C=C3)O)OC 1 2.672 1 5 -4.52210376149065 1583275 C1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NCCCO)C4=CC=CC=C4 1 3.753 3 2 7.92315534035396 1583062 C=CCN1C(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)O)/SC1=NC3=NC=CS3 1 3.064 3 4 0 -14.826774384139 1583057 C=CCN1C(=O)/C(=C/C2=CC=CC=C2)/SC1=NC3=NC=CS3 1 3.599 3 1 -8.72752099526014 1582972 CC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCCCOC 1 2.614 4 3 0 -7.28717694745788 1582896 CC1=C([N+](=O)C2=C(N1[O-])CCC2)C3=CC(=C(C=C3)OC)OC 1 1.122 2 4 0 -6.87746878539778 1582845 C1=CC(=CC=C1CSC2=NN=C(S2)SCC(=O)NN=CC3=C(C=C(C=C3)Cl)Cl)Cl 1 6.21 4 1 -11.6031792278962 1582789 C1=CC=C(C(=C1)OC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)Cl 1 2.695 1 5 -8.06116074754214 1582770 CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NCC2=CC=CS2)C(=O)OC 1 2.339 1 6 0 -11.6034555341379 1582763 C1=CC(=C(C(=C1)Cl)S(=O)(=O)NCCCCCC(=O)O)Cl 1 3.033 1 4 -12.2252461049751 1582733 C1=CC(=C(C=C1S(=O)(=O)NCCCCC(=O)O)C(F)(F)F)Cl 1 2.854 1 4 -13.4076368958202 1582702 C1=CC(=CC=C1N2C3=C(C=N2)C(=NC=N3)NCCCO)Cl 1 1.739 5 1 0 6.72261909100117 1582701 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCCCO 1 1.561 5 1 0 7.98406464743175 1582691 C1=CC=C(C=C1)OCCCC(=O)NC2=NC=C(C=C2)Cl 1 3.072 2 2 -5.5239397945542 1582689 CCCCN(CC)C(=O)CN1C(=O)C2=CC=CC=C2C1=O 1 1.805 2 3 0 -13.5984054420592 1582688 CC1=CC=C(C=C1)C2=C[N+](=O)C3=C(N2[O-])CCC3 1 1.127 2 2 0 -1.56948635468751 1582687 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5 1 4.232 4 3 0 -10.7480434536302 1582676 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 0.668 5 5 0 -9.67580847510409 1582648 CC1(C2=C(C3=C(N1C(=O)CSC4=NCCS4)C=CC(=C3)OC)C(=S)SS2)C 1 4.803 2 2 -29.6316904569997 1582613 CC1=CC(=C(C=C1C)S(=O)(=O)ON2C(=O)C3=CC=CC=C3C2=O)C 1 3.472 1 5 -1.97907778868248 1582612 C1=CC=C2C(=C1)C(=O)N(C2=O)OS(=O)(=O)C3=CC=C(C=C3)F 1 2.219 1 5 -3.47468018290013 1582545 CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)C4=CC=CC=C4Cl 1 5.68 1 3 -12.0847271284405 1582526 C1CCC2=C(C1)C(=S)N=C(N2CCOCCO)C3=CC=CC=C3 1 2.92 2 2 -9.39439650534535 1582522 CC1=CC(=S)C=C(N1CCCO)C 1 1.334 1 1 0 -1.07532150413649 1582243 CC1=C(C=C(C=C1)N2C(=O)/C(=C\C(=O)OC)/N=C2NC3=NC(=CC(=N3)C)C)C 1 2.973 5 3 0 -8.29356437878051 1582210 C1=CC=C(C=C1)/C=C/C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 3.942 4 1 4.16103724738219e-002 1582142 CCCCOC(=O)C1=CC=C(C=C1)OC(=O)N2CCOCC2 1 2.671 1 5 -10.8332525105639 1582104 CCCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC=CN=C3 1 4.598 4 3 0 -1.76924838775838 1582019 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NCCCN4CCOCC4)C=CC=C3C1=O 1 1.047 3 4 0 -13.1225064165423 1582016 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NCC(=O)OCC)C=CC=C3C1=O 1 1.214 2 5 0 -15.8894605106934 1581961 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=CC=CC=C3S2 1 4.256 2 3 -17.7767319340111 1581888 CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)O 1 2.103 1 6 0 -18.8713615243068 1581875 CC1=CC(=C(C=C1)C)OCC(=O)NNC(=O)OC 1 1.658 2 4 0 -8.52923208354528 1581822 CC1=CC(=CC(=C1OCC(=O)NNC(=O)CCC(=O)NCC2=CC=CC=C2)Br)Br 1 3.032 3 4 0 -12.9260733001687 1581821 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NN=C(C#N)C(=S)N 1 2.564 5 2 0 -14.3241665450032 1581799 C1=CC=C(C=C1)CCC(=O)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 2.092 3 5 0 -12.3094665610489 1581787 C1=C(OC(=C1)Br)C(=O)NCCNC(=O)C2=CC=C(O2)Br 1 1.821 2 4 0 -8.08906249823918 1581786 CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C 1 1.394 3 6 0 -18.0633141409156 1581763 C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=S)NC2=CC=CC=C2 1 2.617 4 2 -17.5636889365973 1581759 COC1=CC=C(C=C1)C(=O)NCCNC(=O)C2=CC=C(C=C2)OC 1 1.862 2 4 0 -7.37205629786406 1581754 C1=CC=C(C(=C1)C(=O)NCCNC(=O)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-] 1 1.683 4 6 0 -11.3389871496827 1581753 C1=CC(=CC=C1C(=O)NCCNC(=O)C2=CC=C(C=C2)F)F 1 2.305 2 2 -6.24721306325467 1581736 CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(S3)CC 1 3.816 4 4 0 -17.4794310969507 1581730 CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C 1 3.553 3 5 0 -19.3573073253946 1581727 CCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=N2)C 1 2.042 4 3 0 -16.5789365157314 1581717 CC(C)CNC(=S)NC(=O)C1=CC=CC=C1Cl 1 3.767 2 1 -10.0207015996972 1581712 C1=CC=C(C=C1)C(=O)CNC(=S)NC(=O)C2=CC=CO2 1 2.562 2 3 -9.85044024919864 1581711 CCCCN(CCCC)C(=S)NC(=O)C1=CC=CC=C1Cl 1 5.769 2 1 -10.3659562797684 1581709 C1=CC=C(C=C1)C(=O)CNC(=S)NC(=O)C2=CC=CC=C2Br 1 3.915 2 2 -9.38584063631713 1581708 CC1=CC=CC=C1C(=O)NC(=S)NCC(=O)C2=CC=CC=C2 1 3.653 2 2 -12.6940498381485 1581707 C1=CC=C(C=C1)C(=O)CNC(=S)NC(=O)C2=CC=C(C=C2)F 1 3.373 2 2 -9.24491177170033 1581705 C1=CC=C(C=C1)C(=O)CNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.061 3 4 0 -13.0396972935273 1581690 CCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C 1 4.009 3 5 0 -17.6426885390809 1581676 CC1=CC=C(C=C1)S(=O)(=O)N2C(=O)C(SC2=NCC=C)(C)C 1 3.562 2 3 -11.2305492093584 1581622 C1=CC=C(C(=C1)NC(=O)/C=C\C(=O)O)F 1 1.399 1 3 0 -4.86705475685767 1581578 C1=CC=C(C=C1)/C=C/C=NNC(=O)CSC2=NNC(=O)NC2=O 1 0.834 5 3 0 -17.4237387100284 1581577 C1=CC=C(C=C1)/C=C\C=NNC(=O)CSC2=NNC(=O)NC2=O 1 0.834 5 3 0 -17.4237387100284 1581554 COC1=CC=C(C=C1)C2CC(=O)C(=CNCCCO)C(=O)C2 1 0.501 1 4 0 -10.0027914411 1581526 C1=CC=C(C=C1)/C=C/CSC2=NN=C(O2)C3=CN=CC=C3 1 3.113 3 1 -4.09033771341054 1581466 CCOC(=O)C(=O)NC1=CC=CC=C1C(=O)N 1 0.302 2 4 0 -7.11144514372795 1581462 C1=CC=NC(=C1)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl 1 3.736 2 2 -4.70961082386898 1581416 CC1=C(SC2=NC(=NC(=C12)N)SCC(=O)N(CCO)CCO)C 1 0.786 4 3 0 -10.886447501243 1581364 CC(C)CNC(=S)NC(=O)C1=C(C=C(C=C1)Cl)Cl 1 4.432 2 1 -5.67516393090025 1581363 CCCCNC(=S)NC(=O)C1=CC=CC=C1Br 1 3.988 2 1 -11.7185722858608 1581362 CCCCNC(=S)NC(=O)C1=C(C=C(C=C1)Cl)Cl 1 4.569 2 1 -8.29132042692893 1581315 CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=C(C=C3)Cl 1 5.207 2 3 -2.31205894129433 1581206 C=CCNC(=S)NCC1=CC=CC=C1 1 2.858 2 0 -11.1076259826251 1581164 C1=CC=C(C=C1)CC(=O)NNC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.143 3 2 -5.7819263877902 1581126 CCOC(=O)C(=NNC1=CC(=CC=C1)Cl)SC2=NN=C(N2C)C3=CC=C(C=C3)OC 1 5.05 5 3 0 1.91606634101397 1581119 CC(=O)NN1C(=O)/C(=C\C2=CC=C(O2)Br)/SC1=S 1 2.179 2 3 -9.10246696770169 1581118 CC(=O)NN1C(=O)/C(=C/C2=CC=C(O2)Br)/SC1=S 1 2.179 2 3 -9.10246696770169 1581116 CCC(=O)NCCCOC1=CC=CC=C1 1 1.735 1 2 0 -8.58979163642524 1581015 CN\1C2=CC=CC=C2S/C1=C/C(=O)C3=CN=CC=C3 1 3.215 2 1 3.01898886861856 1580737 C1CC2=C(C1)SC3=C2C(=O)NC(=N3)SCC(=O)NCCO 1 1.264 3 3 0 -27.3377657971525 1580733 CCOC(=O)CCCSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1 1 3.369 2 3 -27.4343292579056 1580704 CS(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-] 1 3.994 2 4 -6.26947086024995 1580696 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCCOCCO)C)C 1 1.044 3 4 0 -23.9981622538214 1580663 CC1=CC=C(C=C1)OCCNC(=O)C2=CC(=CC=C2)C 1 3.642 1 2 -6.75695942513944 1580594 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Cl)NCCCO 1 3.071 3 1 11.8583531121782 1580554 CC1=CC=CC=C1OCC(=O)NCCC(=O)O 1 1.089 1 4 0 -12.6541362506876 1580550 CC1=C(C=CC(=C1)Cl)OCC(=O)NCCC(=O)O 1 1.753 1 4 0 -8.89631862767064 1580532 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3O 1 2.262 4 4 0 -11.0954379345787 1580468 CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.894 2 5 0 -15.6428056749573 1580466 CCOC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.894 2 5 0 -15.6428056749573 1580464 CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC(=C3)C(=O)O 1 3.894 2 5 0 -15.5832003796187 1580460 CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=C3C(=O)O 1 3.894 2 5 0 -17.1886102189341 1580366 C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC(=C3)C(=O)O 1 4.475 2 4 -15.6339350757866 1580330 C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)O 1 4.604 2 3 -11.7509443167212 1580316 C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NNC(=S)NC3=CC=CC=C3 1 4.808 5 1 -18.7988595106887 1580155 COCCNC(=O)/C(=C/C1=CC=C(C=C1)O)/C#N 1 0.972 2 3 0 -13.8027464609344 1580070 CCCOC1=C(C=C(C=C1Br)C=NO)OC 1 3.244 1 3 2.52264060960833 1579928 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)CSC3=NN=C(S3)SCC4=CC=CC5=CC=CC=C54 1 5.78 6 1 0 -14.1999511817442 1579830 CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(SC=C3)C(=O)OC 1 3.888 2 5 0 -5.5312479022368 1579523 C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3 1 4.558 1 3 -8.60307032865759 1579472 CCCCCCSC1=NN=C(S1)N 1 2.881 3 0 -8.44827058930744 1579459 CCC(CC)C1=NN=C(S1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 2.844 4 3 0 -16.0888366250557 1579448 CCC(CC)C1=NN=C(S1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 2.523 4 3 0 -15.4625674142683 1579419 CCC(CC)C1=NN=C(S1)NC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 3.742 3 4 0 -15.8430964248634 1579310 CC(C)OCCOC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CO3 1 3.11 0 5 -3.25994017588991 1578142 C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3Cl)OC(=O)C4=CC=C(C=C4)Cl 1 5.601 0 4 -1.26829296847253 1578136 COC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)OC)N 1 1.518 6 4 0 -14.8630421075575 1578114 CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)CN5CCC(CC5)C)O 1 5.734 2 5 0 2.39854871663554 1577785 CCOC(=O)C1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=C(C=C3)O)/S2 1 2.843 2 4 -6.18242736947867 1577679 CCOC(=O)COC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=C2)C)SC 1 3.407 2 5 0 -12.811389162776 1576954 C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)C(=O)NCCO 1 1.991 2 2 0 -1.75155296380582 1576927 CN1CCN(CC1)C(=S)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N 1 2.941 7 1 0 -4.22878724578549 1576889 CC1=CC=C(S1)C2=CC(=NN2)C(=O)NN=C/C=C/C3=CC=CC=C3 1 3.824 4 1 2.07268469966502 1576847 CC1=CC=C(C=C1)S(=O)(=O)/C(=C\C2=CC=C(C=C2)OC)/C#N 1 3.453 1 3 -6.1814519103984 1576846 CCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC=CC(=C3)C 1 4.866 3 3 0.14343408906717 1576727 CCOC1=C(C=C(C=C1)C=NNC(=O)CSC2=NNC(=O)NC2=O)OC 1 0.79 5 5 0 -27.8386096871599 1576725 CCOC1=CC=CC=C1C=NNC(=O)CSC2=NNC(=O)NC2=O 1 0.806 5 4 0 -22.3463795776405 1576716 COC1=CC=C(C=C1)C=NNC(=O)CSC2=NNC(=O)NC2=O 1 0.457 5 4 0 -22.4558170403521 1576710 COC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCC3=CC=CO3 1 2.139 2 5 0 -19.0665634491143 1576690 C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/3\C(=S)NC(=O)S3)Cl 1 4.71 1 2 6.12581187458237 1576577 C1=CC=C(C=C1)OCCSC2=NN=C3N2C4=CC=CC=C4S3 1 4.68 3 1 -5.25733556183622 1576536 C1=CC(=CC=C1C(=O)CSC2=NNC(=O)NC2=O)[N+](=O)[O-] 1 0.919 4 5 0 -18.2734218748026 1576528 C1=CC(=CC(=C1)NC(=O)/C=C\C(=O)N)C(F)(F)F 1 1.508 2 2 0 1.51204831700324 1576477 C1=CC(=CN=C1)C(=O)NNC(=O)CCN2C(=O)/C(=C/C3=CC=C(C=C3)F)/SC2=S 1 2.243 4 3 0 -17.4282263149356 1576475 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NNC(=O)C3=CC=NC=C3 1 1.773 4 4 0 -13.3487340156403 1576457 CC1=CC=CC=C1C2=NNC(=S)N2N=C/C=C/C3=CC=CO3 1 3.988 4 1 1.08340038451237 1576348 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=O)NC(=O)S3 1 3.041 2 5 0 5.56435244678659 1576340 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2OC)OC 1 3.766 1 5 -11.979683972641 1576321 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2OC)Cl)Cl 1 4.654 1 4 -8.94576378293929 1576317 CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2OC)Cl)Cl 1 5.111 1 4 -10.3096185934153 1576280 C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNC(=O)/C=C/C(=O)O 1 1.133 4 4 0 -2.84578341974429 1576276 C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNC(=O)/C=C\C(=O)O 1 1.133 4 4 0 -2.84578341974429 1576228 C1=CC=C(C=C1)/C=C/C=NNC(=O)CNC2=NNC(=O)NC2=O 1 -0.372 6 3 0 -18.064140812699 1576122 CC1(CC2=C(CS1)SC3=NC(=NC(=C23)N)SCC(=O)N(C)C4=CC=CC=C4)C 1 4.093 4 1 -14.5025985039882 1576014 CCC1=CC(=C(C=C1)OCCCC(=O)O)Br 1 3.555 0 3 -5.49381717118026 1575795 CC1=CC(=CC(=C1Cl)C)OCCCC(=O)N2CCCCC2 1 4.202 1 2 -6.5158113322947 1575637 C1COCCN1CCNC(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CS3 1 2.523 3 3 -20.5599644317574 1575611 C1=CC=C(C=C1)/[N+](=C\C2=CC=C(C=C2)F)/[O-] 1 2.702 1 1 0.497450979184923 1575593 CC1=C[N+](=CC=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=CC=C4 1 4.631 4 2 -5.13021608665178 1575519 C1CCC2(C1)C(=O)N(C(=O)N2)CCS(=O)(=O)OC3=CC=CC=C3 1 1.724 2 5 0 -6.68833311014124 1575439 CC1=CC(=NC(=N1)SC)SCCO 1 1.938 2 1 0 -4.01764122926417 1575376 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCN3C(=O)/C(=C/C4=CC(=CC=C4)OC)/SC3=S 1 3.008 4 4 0 -22.9404355868099 1575351 CCCCCCCNC1=CC=CC(=C1)C 1 4.822 1 0 0.167264967928075 1575167 CC1=C(C(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C)C 1 3.618 3 5 0 -17.1257829298837 1575160 CC1=C(C(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)N3CCCCC3)C 1 5.071 2 2 -4.06044921638387 1575158 CC1=C(C(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C 1 3.221 4 4 0 -11.6451365623396 1575150 CC1=C(C(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C 1 3.476 3 4 0 -10.6188664151513 1575148 CC1=C(C(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C 1 2.697 2 4 -10.2315542216215 1575147 CC1=C(C(=CC=C1)OCCCC(=O)N2CCCC3=CC=CC=C32)C 1 4.728 1 2 -7.3967884098615 1575139 C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)N=CC5=C(C=CC(=C5)[N+](=O)[O-])Cl 1 4.964 4 2 0.760208628766223 1575135 CC1=C(C(=CC=C1)OCCCC(=O)NC2=NC=CS2)C 1 2.989 2 2 -6.45569416467484 1575130 CC1=C(C(=CC=C1)OCCCC(=O)NCCC2=CC(=C(C=C2)OC)OC)C 1 4.287 1 4 -13.3173385371486 1575109 CC1=C(C(=CC=C1)OCCCC(=O)N2CCCCCC2)C 1 3.994 1 2 -5.75731669664822 1573761 CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CSC4=NCCS4 1 5.152 2 2 -30.7307931266721 1573539 CCCCC1=C(C2=C(C=CC(=C2)OC)N=C1C)SCCC(=O)O 1 4.408 1 3 -7.15737536366808 1573153 CC1=C(SC2=C1C(=O)NC=N2)C(=O)OCCOC 1 1.039 2 4 0 -15.4875785872031 1573152 CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)N 1 1.576 1 5 0 -7.12755706975061 1573008 CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC=C)[O-] 1 2.733 2 3 -9.43783469441003 1572936 CC(C)(C)CC(=O)NC(=S)NCCC1=CC=CC=C1 1 3.733 2 1 -11.6405959122201 1572935 CCOC(=O)C1=CN=C(N=C1N)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N 1 2.111 8 2 0 -9.11922733290904 1572934 CC(C)(C)CC(=O)NC(=S)NCC1=CC=CO1 1 2.593 2 2 -12.4431281143017 1572933 CC(C)(C)CC(=O)NC(=S)NCC1=CC=CC=C1 1 3.412 2 1 -11.1044563445387 1572907 C1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=CC=C2 1 4.17 2 2 -10.3468628506238 1572782 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCCCC3=CC=CC=C3 1 4.609 2 2 -12.5351347491239 1572748 C1=CSC(=C1)C2=C(SC(=N2)N)CC(=O)O 1 1.936 2 2 0 -0.528391307529974 1572727 C1=CC(=[NH+]C=C1S(=O)(=O)[O-])N 1 -2.306 2 3 0 -3.91338245572699 1572680 CC\1(C2=CC=CC=C2N(/C1=C\C=C3C(=O)NC(=O)NC3=O)C)C 1 1.859 3 3 0 4.97186641354806 1572660 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)NC3=CC(=CC=C3)O 1 2.738 2 4 -7.07384553582949 1572650 CC(=O)NC1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O 1 2.101 3 4 0 -12.6981318805396 1572187 C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)Br)C(=O)NN=CC4=CC=CC=C4Cl 1 6.199 3 1 0.786725809517869 1572160 C1=CC=C2C(=C1)NC(=N2)S(=O)(=O)O 1 1.219 2 3 0 -3.00623893455687 1572068 COC(=O)CNC(=O)COC1=CC=CC=C1 1 0.58 1 4 0 -13.1363405845577 1571933 C=CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=C(C=C3)Cl)[O-] 1 2.911 2 3 -7.61583600382321 1571734 COC1=C(C=C(C=C1)C=NNC(=O)CNC2=NNC(=O)NC2=O)OC 1 -0.765 6 5 0 -26.975402692602 1571645 CN(C)CCNC(=O)COC1=C(C=C(C=C1)Cl)Cl 1 2.34 2 2 -4.7684430934067 1571549 C1=CSC2=NC(NC(=O)N21)(C(F)(F)F)C(F)(F)F 1 2.054 3 1 -5.69078817002857 1571545 C1=CC=C(C(=C1)C(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)O)[N+](=O)[O-])/SC2=S)Cl 1 4.197 3 5 0 -6.12591185993492 1571543 C1=CC=C(C(=C1)C(=O)NN2C(=O)/C(=C/C3=CC(=C(C=C3)O)[N+](=O)[O-])/SC2=S)Cl 1 4.197 3 5 0 -6.12591185993492 1571389 C1=CC(=C(C(=C1)Cl)C=NNC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl)Cl 1 6.21 4 1 -15.3597420051829 1571343 CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=O)CC3=NN=C(S3)N 1 2.261 5 4 0 -6.89805931841229 1571329 C1COC2=C(O1)C=CC(=C2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O 1 2.766 2 5 0 -13.9100848626167 1571328 C1COC2=C(O1)C=CC(=C2)NC(=O)COC3=CC=CC=C3Cl 1 2.9 1 4 -9.34768566299737 1571307 C(CC(=O)O)CNC(=O)N 1 -0.786 2 3 0 -13.3619586580655 1571088 CC1=C([N+](=O)C2=C(N1[O-])CCCCC2)C3=CC(=C(C=C3)OC)OC 1 2.034 2 4 -7.54074742045053 1571013 CS(=O)(=O)NC1=NN=C(S1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 0.829 5 5 0 -21.2520086931093 1570689 C1CCN(C1)C2=CC=C(C=C2)/C=C\3/C(=O)NC(=O)N(C3=O)CC4=CC=C(C=C4)F 1 3.482 3 3 -1.65161009728114 1570605 CCOC(=O)C(=CNCC(=O)O)C(=O)OCC 1 -0.366 1 6 0 -5.74888873618376 1570586 CC1=CC2=C(C=C1)N=CN=C2NCCCN3CCOCC3 1 1.638 4 1 0 2.9818595419396 1570576 CN(C)CCNC1=C2CCCC2=NC3=CC=CC=C31 1 3.027 3 0 2.03958899925433 1570418 CC1=CC(=C(C=C1)C)OCCCC(=O)NC2CCCCC2 1 4.273 1 2 -9.00480154891082 1570488 CC1=CC(=C(C=C1)C)OCCCC(=O)NC2=NC=CS2 1 2.989 2 2 -7.58300319673442 1570484 CC1=CC(=C(C=C1)C)OCCCC(=O)NCC=C 1 3.032 1 2 -13.0930802083866 1570467 CC1=CC(=C(C=C1)C)OCCCC(=O)N2CCOCC2 1 2.308 1 3 -8.45292217848339 1570351 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=NC(=N3)[N+](=O)[O-] 1 2.221 5 5 0 -20.7528644041279 1570309 COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=O)CC3=NN=C(S3)N 1 1.912 5 4 0 -5.56082917522729 1570196 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-] 1 2.099 5 5 0 -9.02401629221731 1570060 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl 1 4.183 3 5 0 -10.9770231518336 1570081 C1=CC=C(C(=C1)CN2C3=CC=CC=C3/C(=C\4/C(=O)N(C(=S)S4)CCC(=O)O)/C2=O)Cl 1 4.145 2 4 -11.4164741622009 1570046 C1=CC=C(C=C1)OCCCC(=O)NC2=CC=CC=C2C(F)(F)F 1 3.961 1 2 -8.130881239716 1570045 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCOC2=CC=CC=C2 1 3.4 2 4 -10.8211257831673 1570044 C1=CC=C(C=C1)OCCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.913 2 4 -9.25439653710875 1570038 C1=CC=C(C=C1)OCCCC(=O)NCCC2=NC3=CC=CC=C3N2 1 2.983 3 2 -12.5765712505326 1570036 C1=CC=C(C=C1)OCCCC(=O)NC2=NC=CS2 1 2.016 2 2 -8.99551855303209 1570021 C1=CC=C(C=C1)CCNC(=O)CCCOC2=CC=CC=C2 1 3.347 1 2 -12.7998517473511 1570020 C1=CC=C(C=C1)OCCCC(=O)NCC2=CC=CO2 1 2.208 1 3 -14.5344397934563 1570011 COC(=O)C1=CC(=CC=C1)NC(=O)CCCOC2=CC=CC=C2 1 2.874 1 4 -11.0285822418854 1570003 C1COC2=C(O1)C=CC(=C2)NC(=O)CCCOC3=CC=CC=C3 1 2.805 1 4 -11.5028532949692 1569851 CC1=CC(=C(C=C1)C)OCCCC(=O)NC2=CC=CC=C2C(=O)N 1 2.993 2 3 -9.04505025902855 1569822 CCCCOC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)N 1 3.397 2 3 -9.63109503254369 1569645 CCCC1=NN=C(N1N)SCCSC2=NN=C(N2N)CCC 1 2.157 8 0 0 -9.1287105881469 1569642 CCCCSC1=NN=C(N1N)CCC 1 2.498 4 0 -9.46623658620653 1569640 CCC1=NN=C(N1N)SCC2=CC=C(C=C2)CSC3=NN=C(N3N)CC 1 2.763 8 0 0 -11.4786776376982 1569741 CCCCOC1=CC=C(C=C1)/C=C/C(=O)NCCC2=NC3=CC=CC=C3N2 1 4.358 3 2 -8.4393611767195 1569734 CC1=CC(=C(C=C1)C)OCCCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.841 2 3 -6.77684437115623 1569654 C1COCCN1CCCNC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl 1 1.209 3 3 0 -3.12638651153069 1569639 CCC1=NN=C(N1N)SCCSC2=NN=C(N2N)CC 1 1.244 8 0 0 -9.08703995198679 1569498 CCOCCOC(=O)COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O 1 2.347 1 6 0 -15.8523511820665 1569493 CCOCCOC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3 1 3.286 0 6 -11.468894805763 1569424 COCCNC1=C2C=CC=C(C2=NC=C1)Cl 1 2.358 2 1 -3.65430363348171 1569343 CC1=C(C2=C(C=C1)C(=O)C(=C(N2)C)CN(CCOC)CCOC)C 1 2.471 2 3 -2.08298473610963 1569306 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCCCN3CCOCC3)C(=O)OC 1 1.773 3 5 0 -7.41940364668235 1569301 CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)Cl)Cl)NCCOCCO 1 2.687 2 4 -3.02995535640319 1569296 CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)Cl)Cl)NCCCN3CCOCC3 1 3.246 3 3 -3.24484744784769 1569283 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCCO)Br 1 2.238 2 3 -0.222263991213737 1569279 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCCCN3CCOCC3)Br 1 2.666 3 3 -3.10682338706017 1569246 CC1=C(SC2=C1C(=NC=N2)SCC=C)C 1 3.441 2 0 -7.23180942067456 1569243 CCCSC1=NC=NC2=C1C(=C(S2)C)C 1 3.697 2 0 -6.32661835637093 1569092 CCCOC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)OC 1 2.824 2 4 -4.84583702629545 1569082 CCOCCOC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C 1 2.672 2 4 -9.28112403692777 1569077 CCCOC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C 1 3.327 2 3 -4.50391376578636 1569059 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=NC4=C(C3=O)C(=C(S4)C(=O)OCC)C 1 3.735 3 6 0 -31.3824992999129 1569037 CC(C)CNC(=O)CCCOC1=CC=C(C=C1)OC 1 2.618 1 3 -13.0918200469894 1569010 CCCOC1=CC=C(C=C1)/C=C/C(=O)N2CCOCC2 1 2.255 1 3 -7.08434193909691 1569005 CCCOC1=CC=C(C=C1)/C=C/C(=O)NC2CCCCC2 1 4.22 1 2 -8.08479524996705 1568981 COC1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 2.852 2 4 -8.2593684958288 1568976 CC(=O)C1=CC(=CC=C1)NC(=O)CCCOC2=CC=C(C=C2)OC 1 2.742 1 4 -9.74195526763489 1568956 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCOC2=CC=C(C=C2)OC 1 3.383 2 5 0 -10.8911345515422 1568952 COC1=CC=C(C=C1)OCCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.897 2 5 0 -9.22701107895887 1568913 COC1=CC=C(C=C1)OCCCC(=O)NC2=NC=NN2 1 1.304 4 3 0 -10.2782051158775 1568900 COC1=CC=C(C=C1)OCCCC(=O)NCCC2=NC3=CC=CC=C3N2 1 2.966 3 3 -12.4781670218951 1568895 COC1=CC=C(C=C1)OCCCC(=O)NC2=NC=CS2 1 2 2 3 0 -9.06552732140698 1568877 COC1=CC=C(C=C1)OCCCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.298 1 5 -16.0043222375019 1568876 COC1=CC=C(C=C1)OCCCC(=O)NCCC2=CC=CC=C2 1 3.331 1 3 -12.5768290536778 1568873 COC1=CC=C(C=C1)OCCCC(=O)NCC2=CC=CO2 1 2.191 1 4 -14.5070543353065 1568862 COC1=CC=C(C=C1)OCCCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.771 1 5 -10.1275609097756 1568637 CCCOC1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=CC=C2 1 3.945 1 2 -6.87836075508224 1568575 C1=CC=C(C=C1)NC(=O)/C(=C/C2=CN=CC=C2)/NC(=O)C3=CC=CO3 1 1.816 3 3 0 -15.3253385787979 1568529 CCOCCOC(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2 1 2.395 1 6 0 -22.045454443061 1568527 CCCOC(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2 1 3.049 1 5 -17.2682441719196 1568498 CCOC(=O)C1=CN=C2C(=C(C=CC2=C1NCCCN3CCOCC3)Cl)C 1 3.068 3 3 -3.26242911196797 1568488 CCOC(=O)C1=CN=C2C(=CC=CC2=C1NCCCN3CCOCC3)C 1 2.404 3 3 -6.04134837971607 1568468 CCOC(=O)C1=CN=C2C(=C1NCCO)C=CC3=CC=CC=C32 1 2.398 2 3 -1.26849378208234 1568453 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCCO)C 1 1.976 2 3 0 -0.709458423994407 1568418 CC1=CC(=C(C=C1)C)OCCCC(=O)O 1 2.836 0 3 -5.31799883795088 1568335 COCCNC(=O)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2 1 2.197 1 4 -13.330819221828 1568330 CCCCOC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] 1 3.442 3 4 0 -4.71610868976987 1568315 CCCCOC1=CC=CC=C1NC(=O)C2=CC=CO2 1 3.322 1 3 -7.32663157494005 1568295 C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NCCC3=CNC4=CC=CC=C43 1 4.146 3 2 -22.2218026845609 1568291 CCCCOC(=O)NC1=C(C=C(C(=C1)C)Cl)OC 1 4.056 1 3 -7.99735594885689 1568281 CCCCC(=O)NC1=C(C=C(C=C1Cl)C)C 1 4.166 1 1 -5.14702286973212 1568257 CC1=CC(=C(C(=C1)C)C(=O)NCCOC)C 1 2.365 1 2 -10.6749462306872 1568254 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 1.898 3 5 0 -12.832073410615 1568082 CCC1=C(C(=CC=C1)CC)NC(=O)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3 1 6.445 1 1 -5.12736311196049 1568068 CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=CC=C2CCC3=CC=CC=C3 1 6.93 1 1 -7.78807235371332 1567973 CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC=N3 1 2.911 2 2 -0.684601128121446 1567968 CC(C)(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=NN=C(S3)N 1 2.435 6 2 0 -20.1633629195195 1567935 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=CC=C4OC 1 5.835 1 7 0 -4.57325091675271 1567934 CC1=C(C=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=CC=C4OC)[N+](=O)[O-] 1 5.835 1 7 0 -9.51787722826515 1567914 COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4[N+](=O)[O-])C(F)(F)F 1 5.349 1 7 0 -6.59040281689566 1567820 CCC1=NNC(=S)N1N=C/C(=C\C2=CC=CC=C2)/C 1 3.556 4 0 -7.20600136525409 1567815 CCC1=NNC(=S)N1N=CC2=CC=CC=C2OCC3=CC=C(C=C3)Cl 1 4.981 4 1 -2.69349669023926 1567813 CC1=NNC(=S)N1N=C/C(=C\C2=CC=CC=C2)/C 1 2.889 4 0 -6.85126813649747 1567808 CC1=NNC(=S)N1N=CC2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl 1 4.978 4 1 -2.1245360371626 1567806 CC1=NNC(=S)N1N=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl 1 4.314 4 1 -2.86077723603651 1567802 CC1=NNC(=S)N1N=CC2=CC=CC=C2OCC3=C(C=C(C=C3)Cl)Cl 1 4.978 4 1 -1.60252226260874 1567801 CC1=NNC(=S)N1N=CC2=CC=CC=C2OCC3=CC=C(C=C3)Cl 1 4.314 4 1 -2.33876346148265 1567779 C1=CC(=CC(=C1)Br)C=NNC(=S)N 1 2.548 3 0 -0.955949679823163 1567573 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] 1 3.482 4 5 0 -5.98997901317157 1567497 C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CS3)/SC2=S 1 4.577 1 1 -5.58546539900738 1567476 CC1=CC(=NO1)NC(=O)CN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=O 1 1.923 3 4 0 -15.9235645025562 1567474 C1COCCN1CCCNC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4 1 2.867 4 1 -0.637979588592907 1567467 CC1=CC(=NO1)NC(=O)CCN2C(=O)/C(=C\C3=CC=CC=C3)/SC2=S 1 3.07 3 3 -21.8537476091162 1567423 C1=CC(=CN=C1)NC(=O)CCN2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/SC2=S 1 3.445 3 2 -11.273034047924 1567368 CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.372 1 5 -14.7600440960892 1567342 C/C(=C\C1=CC=CC=C1)/C=NNC2=NC(=O)C=NN2 1 1.719 5 1 0 -10.8714070916182 1567211 C1=CC=C(C=C1)COC(=O)NCC(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl 1 5.096 1 6 0 -8.49048409970323 1567207 CC(C)(C)OC(=O)NCC(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl 1 4.444 1 6 0 -10.5980340146915 1567184 CC1=CC(=O)N=C(N1)NN=C/C=C/C2=CC=CC=C2 1 1.768 4 1 0 -5.94567559010081 1567137 COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC 1 2.698 3 7 0 -13.2023473113203 1567094 COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC(=C(C=C3)O)OC)O 1 3.363 2 6 0 -9.17031609629104 1567001 CCCCOC(=O)NC1=NC2=C(S1)C=C(C=C2)OC 1 3.531 2 3 -4.19804234622622 1566975 CC1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)Br 1 4.254 1 2 -6.24740961868469 1566964 CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)Br 1 4.254 1 2 -5.1555668295459 1566867 CC1=C(C(=C(C=C1)C)OCC(=O)NCC=C)C 1 2.948 1 2 -10.8790075039831 1566769 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NCCCN4CCOCC4 1 3.258 4 1 9.68175655191314 1566703 C1COC2=C(O1)C=CC(=C2)N/C=C(\C#N)/C3=NC4=CC=CC=C4N3 1 2.704 4 2 -4.9158695635232 1566650 C1COC2=C(O1)C=CC(=C2)N/C=C(\C#N)/C(=O)NCC3=CC=CO3 1 1.237 3 4 0 -16.2122654537793 1566585 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCCO 1 2.892 3 1 10.0363544215914 1566546 CCCCOC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)Br 1 2.74 2 3 -4.44615549033525 1566536 CCCCN1C=NC2=C(C1=O)C=C(S2)C3=CC=CC=C3 1 3.881 2 1 -3.33640725132554 1566535 CCCCCN1C=NC2=C(C1=O)C=C(S2)C3=CC=CC=C3 1 4.337 2 1 -3.33760674253521 1566291 C/C(=C\C1=CC=CC=C1)/C=C/2\C(=O)N(C(=O)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.898 2 5 0 -12.3925655876427 1566253 C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC(=CC=C3)O 1 3.456 2 4 -5.26626671334343 1566250 C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)O 1 3.456 2 4 -5.82076121016115 1566238 COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 1.269 5 6 0 -15.0467098496203 1566205 CC1=CC(=NO1)NC(=O)CCCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S 1 4.056 3 3 -19.854991999572 1566198 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NNC(=O)C3=CC=CC=C3O 1 3.754 3 4 0 -14.1145916593266 1566194 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CC=CC=C3O)Cl 1 3.611 3 4 0 -11.2036544423044 1566182 CC(C)(C#N)NC(=O)C(=O)C1=C(C=C2N1C=CC=C2)C3=CC=CC=C3 1 3.092 3 2 -8.73484754261921 1566181 C1=CC=C(C=C1)CCNC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4 1 4.47 2 2 -9.93746374060606 1566157 CN(C)C(=O)C(=O)C1=C(C=C2N1C=CC=C2)C3=CC=CC=C3 1 2.772 2 2 -4.85453860488217 1566144 CN(CC1=CC=CC=C1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.567 4 2 5.0629921968867 1566142 COCCN(CCOC)C1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.722 4 4 0 2.70328577778895 1566086 CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)NCCCN3CCOCC3 1 2.89 3 3 -6.41541606626447 1566039 CCCCN(C)CC1=C(NC2=C(C1=O)C=C(C=C2)OCC)C 1 3.421 2 2 -5.42579369561761 1566034 CC1=CC2=C(C=C1)N=CN=C2NCCCOC 1 1.681 3 1 0 1.7254156155904 1565917 C=CCN1C(=O)CSC1=NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.668 4 3 0 -16.1917386050619 1565901 C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CC=CC=C3O 1 2.946 3 4 0 -13.828679262636 1565864 C1=CC=C(C=C1)COC(=O)/C(=C/CC(=O)O)/NC(=O)OCC2=CC=CC=C2 1 2.934 1 6 0 -7.70372626046539 1565837 COC1=CC=C(C=C1)CCNC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O 1 3.292 2 4 -14.5122031573149 1565779 COC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=C(C=C2)Cl)OC3=NC(=NC=C3F)Cl 1 4.951 4 3 0 -11.1182185720895 1565693 CC1=CC=CN2C1=NC(=C(C2=O)C=NCC3=CC=CC=C3)NCCO 1 1.336 4 2 0 -9.65122790219076 1565638 CCCOC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)Br 1 1.654 2 5 0 -9.61700473278741 1565627 CC1=CC(=NO1)NC(=O)CN2C(=O)/C(=C/C3=CC=CC=C3F)/SC2=S 1 3.027 3 3 -16.1435203463827 1565551 CCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCOCC2)OC 1 3.607 1 4 -11.3633838212224 1565495 COC1=CC=CC(=C1)NC2=NC(=O)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])O)/S2 1 3.415 3 5 0 -0.111150092586704 1565462 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3)S(=O)(=O)NCCCCCC(=O)O 1 1.567 2 5 0 -25.0449265094844 1565449 C1=CSC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.515 2 4 -15.9956514445773 1565446 C1=CSC(=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.515 2 4 -15.9956514445773 1565370 CC1=CC=C(C=C1)OCCCC(=O)N2CCOCC2 1 1.822 1 3 0 -9.37720352281226 1565361 CC1=CC=C(C=C1)OCCCC(=O)NCC=C 1 2.545 1 2 -14.0173615527154 1565360 CC1=CC=C(C=C1)OCCCC(=O)NC2CCCCC2 1 3.787 1 2 -9.92908289323969 1565339 CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)N2CCOCC2 1 2.736 1 3 -6.79906937370095 1565337 CC1CCN(CC1)C(=O)CCCOC2=CC=C(C=C2)Cl 1 3.482 1 2 -8.67601798635427 1565334 C1CCCN(CC1)C(=O)CCCOC2=CC=C(C=C2)Cl 1 3.686 1 2 -5.98690838244985 1565331 C1CCN(CC1)C(=O)CCCOC2=CC=C(C=C2)Cl 1 3.23 1 2 -5.98690838244985 1565330 C1COCCN1C(=O)CCCOC2=CC=C(C=C2)Cl 1 2 1 3 0 -7.55520483222544 1565329 C1CCC(CC1)NC(=O)CCCOC2=CC=C(C=C2)Cl 1 3.965 1 2 -8.10708420265287 1565322 CC1=CC(=CC=C1)OCCCC(=O)NC2CCCCC2 1 3.787 1 2 -8.83724010410089 1565321 CC1=CC(=CC=C1)OCCCC(=O)NCC=C 1 2.545 1 2 -12.9255187635766 1565317 CC1=CC(=CC=C1)OCCCC(=O)NC(C)C 1 2.655 1 2 -14.8022661105045 1565314 CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.355 2 3 -6.6092829263463 1565313 CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 4.585 2 2 -5.02019680363353 1565312 CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)N(C)C 1 3.667 2 2 -8.18219215364393 1565307 CCN(CC)C1=CC=C(C=C1)NC(=O)CCCOC2=CC=CC(=C2)C 1 4.365 2 2 -10.4755780149025 1565305 CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=CC=C2C(F)(F)F 1 4.447 1 2 -6.47978566812078 1565291 CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.21 2 4 -11.1913018088712 1565234 CC1=CC(=CC=C1)OCCCC(=O)NCCC2=CC=CC=C2 1 3.833 1 2 -11.0241377107201 1565231 CC1=CC(=CC=C1)OCCCC(=O)NCC2=CC=CO2 1 2.694 1 3 -12.9543629923488 1565220 CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=CC(=C2)C(=O)OC 1 3.36 1 4 -9.91471625265413 1565214 CC1=CC(=CC=C1)OCCCC(=O)NC2=CC3=C(C=C2)OCO3 1 3.273 1 4 -8.61731324451479 1565190 C1COCCN1C2=CC=C(C=C2)NC(=O)CCCOC3=CC=C(C=C3)Cl 1 3.533 2 3 -5.87912702489827 1565092 C1=CC(=CC(=C1)NC(=O)CCCOC2=CC=C(C=C2)Cl)C(=O)O 1 3.313 1 4 -6.69647229498474 1565104 C1=CC=C(C=C1)CCNC(=O)CCCOC2=CC=C(C=C2)Cl 1 4.011 1 2 -10.1965875827472 1565045 CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 3.125 2 4 -9.70501044889867 1564989 CCC1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.811 2 3 -7.94056385126418 1564986 CCC1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 5.041 2 2 -6.35147772855141 1564972 CCC1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C 1 3.448 4 4 0 -15.6331657133332 1564968 CCC1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.667 2 4 -12.5225827337891 1564940 CCC1=CC=C(C=C1)OCCCC(=O)NC2=NC=CS2 1 2.958 2 2 -8.74672267684237 1564937 CCC1=CC=C(C=C1)OCCCC(=O)NCC2=CC=CO2 1 3.15 1 3 -14.1882496907418 1564936 CCC1=CC=C(C=C1)OCCCC(=O)NCC2=CC=CC=C2 1 3.968 1 2 -12.9847504744754 1564929 CCC1=CC=C(C=C1)OCCCC(=O)NC2=CC=CC(=C2)C(=O)O 1 3.591 1 4 -8.75790912135065 1564917 CC1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.355 2 3 -7.70112571548509 1564913 CC1=CC=C(C=C1)OCCCC(=O)NC2=CC=CC(=C2)C(=O)C 1 3.245 1 3 -9.18371248729119 1564911 CC1=CC=C(C=C1)OCCCC(=O)NC2=CC=CC=C2C(F)(F)F 1 4.447 1 2 -7.47423423073479 1564902 CC1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C 1 2.992 4 4 0 -15.582024171888 1564898 CC1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.21 2 4 -12.28314459801 1564857 CC1=CC=C(C=C1)OCCCC(=O)NC2=NC=CS2 1 2.502 2 2 -8.50728454106328 1564847 CC1=CC=C(C=C1)OCCCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.8 1 4 -15.5438093574326 1564844 CC1=CC=C(C=C1)OCCCC(=O)NCC2=CC=CO2 1 2.694 1 3 -13.9488115549628 1564825 CC1=CC=C(C=C1)OCCCC(=O)NC2=CC3=C(C=C2)OCO3 1 3.273 1 4 -9.56931812943194 1564792 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC(=C(C=C3)Cl)Cl 1 3.602 4 3 0 -5.78446118987145 1564749 CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C 1 1.79 4 4 0 -22.2603033166288 1564647 COCCN(CCOC)C1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3 1 2.827 3 2 4.5662042147323 1564644 C1COCCN1CCCNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 2.772 4 1 6.03134031866465 1564642 C=CCNC1=NC=NC2=CC=CC=C21 1 1.88 3 0 0 -0.632047709395118 1564630 C1=CC=C(C(=C1)CSC2=NN=NN2C3=CC=CC(=C3)/C=C\C(=O)O)F 1 3.686 4 2 -15.9603724347834 1564574 CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)Cl)NCCCN3CCOCC3 1 3.068 3 3 -3.95358376543303 1564494 CCCCN(C)CC1=C(NC2=C(C1=O)C=C(C=C2)Cl)C 1 3.753 2 1 -1.53955666575964 1564333 CC1=CC=CC=C1OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 3.34 3 5 0 -12.4968085725703 1564331 CC1=CC=CC=C1OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C 1 2.992 4 4 0 -15.243605888462 1564326 CC1=CC=CC=C1OCCCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.355 2 3 -7.36270743205917 1564320 CC1=CC=CC=C1OCCCC(=O)NC2=CC=CC=C2C(F)(F)F 1 4.447 1 2 -7.30422894432128 1564289 CC1=CC=CC=C1OCCCC(=O)NC2=CC=C(C=C2)Br 1 4.254 1 2 -5.90899133525877 1564281 CC1=CC=CC=C1OCCCC(=O)NCC2=CC=CO2 1 2.694 1 3 -13.7077874980616 1564271 CC1=CC=CC=C1OCCCC(=O)NC2=CC3=C(C=C2)OCO3 1 3.273 1 4 -9.23089984600603 1564256 CC1=CC=CC=C1OCCCC(=O)NC2CCCCC2 1 3.787 1 2 -9.59066460981377 1564225 CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)CC(=O)N)S(=O)(=O)N 1 2.747 5 3 0 -13.9890175021442 1564171 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C=CS3)C#N)CC=C)C 1 3.573 4 2 -32.4194973014825 1564102 C1=CSC(=C1)S(=O)(=O)NCCCC(=O)O 1 0.578 1 4 0 -16.1338143343571 1563986 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O 1 2.534 4 5 0 -21.2182338277858 1563977 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N(CCCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl 1 4.838 2 5 0 -9.55724390057311 1563971 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN(C3=CC=C(C=C3)Cl)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl 1 5.367 3 5 0 -7.02660874964026 1563946 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN(C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(S4)Cl 1 5.22 2 3 -2.02209877839156 1563945 CC1=CC=C(C=C1)N(CCCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=C(S4)Cl 1 5.042 2 3 -3.0279684674599 1563808 CCCOC1=C(C=C(C=C1)C=NNC(=O)CCC2=NNC(=O)NC2=O)OC 1 0.994 5 5 0 -29.2044906473756 1563706 CCCCOC(=O)CCC1=NC2=CC=CC=C2NC1=O 1 2.233 2 3 -17.9543483927162 1563693 CCCCOC(=O)CN1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 3.735 2 3 -7.9257213267121 1563686 C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCCO 1 1.193 4 1 0 6.26153755153275 1563678 CCCOC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 4.037 4 2 0.374156879367743 1563400 CCOCCOC(=O)C1=CC(=CC=C1)NC(=O)OCC 1 2.015 1 5 -12.3651027898585 1563374 CCCOC1=C(C=C(C=C1)/C=C/C(=O)O)OC 1 2.767 0 4 -3.63739287954285 1563370 CCCCCCOC(=O)C1=CC=C(C=C1)N 1 3.179 1 2 -4.01803153991763 1563356 CC1=C(SC2=C1C(=O)NC(=N2)NCCO)C 1 0.704 3 2 0 -5.19508370994275 1563289 CC1=C(C=C(C=C1)NC2=NC(=O)/C(=C\C3=CC=CS3)/S2)C 1 4.705 2 1 -5.54880525062421 1563288 CC1=C(C=C(C=C1)NC2=NC(=O)/C(=C/C3=CC=CS3)/S2)C 1 4.705 2 1 -5.54880525062421 1563234 CCCOC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 3.072 2 6 0 -11.6035038062424 1563227 CCCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CN=CC=C2 1 2.192 2 3 -10.6280933593317 1562989 CCCOC(=O)NC1=NC(=C(S1)C)C2=CC=C(C=C2)C 1 4.041 2 2 -3.70316204308083 1562928 CC1(C(N(C(=O)C(=O)N1OCC2=CC=CC=C2)OCC3=CC=CC=C3)(C)C)C 1 2.982 2 4 -2.63201286761385 1562746 CCCCOC(=O)NC1=CC=C(C=C1)N2CCOCC2 1 2.772 2 3 -5.34844659087264 1562745 CCCCOC(=O)NC1=CC=C(C=C1)N2CCCCC2 1 4.001 2 2 -3.75936046815987 1562744 CCCCOC(=O)NC1=CC=C(C=C1)N(C)C 1 3.084 2 2 -6.92135581817027 1562735 CCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC(=C2)C)C 1 2.408 4 4 0 -13.0410484529417 1562733 CCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 1 2.152 4 4 0 -11.2466535875908 1562731 CCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 2.407 3 4 0 -10.3177776669273 1562726 CCCCOC(=O)NC1=CC(=C(C=C1)C)Cl 1 4.072 1 2 -3.82821358564889 1562722 CCCCOC(=O)NC1=CC(=C(C=C1OC)Cl)OC 1 3.553 1 4 -11.2749065373096 1562721 CCCCOC(=O)NC1=NN=C(S1)C(C)C 1 2.786 3 2 -11.041893641675 1562720 CCCCOC(=O)NC1=NN=C(S1)CC 1 2.323 3 2 -12.8028541625844 1562719 CCCCOC(=O)NC1=NC2=CC=CC=C2S1 1 3.547 2 2 -2.41998747921667 1562711 CCCCOC(=O)NC1=NC(=C(S1)C(=O)OCC)C 1 2.697 2 4 -11.5013048263084 1562706 C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CN=CC=C2 1 1.523 4 2 0 -9.61274179919768 1562703 CCCCOC(=O)NC1=NC=CS1 1 1.919 2 2 0 -6.73464386680898 1562700 CCCCOC(=O)NC1=NC(=CS1)CC(=O)OCC 1 2.587 2 4 -10.8266748323757 1562690 CCCCOC(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC 1 2.633 1 6 0 -13.6106606079498 1562688 CCCCOC(=O)NC1=CC=C(C=C1)C(=O)N 1 1.924 2 3 0 -8.32790427146492 1562686 CCCCOC(=O)NC1=CC=CC=C1C(=O)N 1 1.924 2 3 0 -8.63239795207579 1562683 CCCCOC(=O)NC1=CC=C(C=C1)C(=O)OCCC 1 3.65 1 4 -7.77856933408219 1562682 CCCCOC(=O)NC1=CC=CC(=C1)C(=O)OCC 1 3.126 1 4 -8.96571429904806 1562681 CCCCOC(=O)NC1=CC=CC=C1C(=O)OC 1 2.777 1 4 -12.312130177793 1562677 CCCCOC(=O)NC1=CC=C(C=C1)C(C)C 1 4.116 1 2 -3.97660974290598 1562631 COC1=CC=C(C=C1)N(CCC#N)C(=O)/C(=C/C2=CC=CS2)/C#N 1 3.043 3 2 -12.6503333660256 1562630 COC1=CC=C(C=C1)N(CCC#N)C(=O)/C(=C\C2=CC=CS2)/C#N 1 3.043 3 2 -12.6503333660256 1562623 C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCCC(=O)NNC(=O)C3=CC=CC=C3O 1 2.368 3 5 0 -10.6250987056782 1562597 CCCCSC1=NC(=O)C=C(N1)CCC 1 3.276 2 1 -11.6653259365483 1562455 CC1=CC(=CC(=C1)OCCNC(=O)C2=CC(=CC=C2)OC)C 1 3.626 1 3 -7.83839312317504 1562438 CC1=CC(=CC(=C1)OCCNC(=O)C2=CC=C(C=C2)Br)C 1 4.391 1 2 -6.35282609934468 1562253 CC1=CC(=C(S1)SC)C=NO 1 2.13 1 1 6.73230465362397 1562211 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCCOC)C3=CC=CC=C3)C 1 3.16 3 3 -31.4275386316997 1562044 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)OC 1 1.774 5 7 0 -21.2629836077063 1562008 CCCCSC1=NC(=O)C2=C(N1)CCC2 1 2.895 2 1 -15.3540235201907 1561995 CCN1CCN(CC1)C(=O)/C=C\C(=O)O 1 -2.906 2 3 0 -4.38288176071228 1561977 CCOC1=CC=C(C=C1)NC\2=NC(=O)S/C2=C\C3=CC=C(C=C3)N(C)C 1 4.274 3 2 -4.29277081995153 1561922 CCOC(=O)CSC1=NC(=O)CS1 1 1.567 1 3 0 -14.7841699824844 1561908 CN(C1=CC=CC=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/SC2=S 1 4.593 2 3 -3.04221836057644 1561895 CC(C)COC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)/C#N 1 5.266 2 2 -11.3704703666645 1561891 CN1C=C(C2=CC=CC=C21)C=NNC(=S)NCC=C 1 3.347 4 0 -7.6329489209002 1561849 CC1=CC(=NN1)C(=O)NN=C/C=C/C2=CC=CC=C2 1 2.061 4 1 -3.09769608285386 1561767 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] 1 3.062 5 5 0 -14.2478704900651 1561718 CCCCOC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC(=CC(=C3)C)C 1 5.364 0 6 -8.01513663584548 1561621 C=CCNC(=O)C1=C(N2CCCC3=CC=CC(=C32)C1=O)O 1 2.322 2 3 -10.8762002698177 1561558 CCCSC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4=CC=C(C=C4)OC 1 4.682 3 2 -24.0365804388744 1561542 CC1=CN=C(C=C1)NCN2C3=CC=CC=C3C(=O)C2=O 1 1.718 3 2 0 0.136676608713799 1561408 COC(=O)CCCCCN1C(=O)/C(=C\C2=CC=NC=C2)/SC1=S 1 3.085 2 3 -15.5827336525402 1561361 CCOC(=O)C1=CN=C2C(=C1NCCCN3CCOCC3)C=CC=C2Cl 1 2.582 3 3 -6.11699330135515 1561354 CCOC(=O)C1=CN=C2C(=C1NCCCN(C)C)C=CC3=CC=CC=C32 1 3.138 3 2 -1.91219833107519 1561320 CCCOC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC(=CC(=C3)C)C 1 4.908 0 6 -6.65128182536946 1561106 C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)NC4=CC=CC(=C4)C(=O)O 1 3.329 2 6 0 -16.561715846781 1561104 COC1=C(C=C(C=C1)C=NNC(=O)CCSC2=NC3=CC=CC=C3S2)OC 1 3.917 3 3 -12.8213389223813 1561096 C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)NC4=CC=C(C=C4)C(=O)O 1 3.329 2 6 0 -16.481483237898 1561058 COC1=CC=C(C=C1)NC(=O)CCN2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=S 1 3.683 2 5 0 -14.929121730302 1560862 CCC1=NN=C(S1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/SC2=S 1 3.036 4 5 0 -20.7575538153771 1560861 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NC3=NCCS3 1 3.122 3 5 0 -19.3818105455235 1560842 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NC3=CC=C(C=C3)O 1 3.392 2 6 0 -10.6212002113441 1560793 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2 -7.08329837771047 1548086 CCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C 1 0.479 5 4 0 -5.5437035878301 1548081 CCOC1=CC2=C(C=C1)NC(=C2CCCN3C(=O)C4=CC=CC=C4C3=O)C(=O)OCC 1 4.344 2 5 0 -4.82995482810817 1548079 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)CCCN3C(=O)C4=CC=CC=C4C3=O 1 4.498 2 4 -3.09862741141346 1548076 C1CCC2=NC=C(N2CC1)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.679 2 0 4.20812406656598 1548055 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Br 1 4.147 2 2 -4.58215952061128 1548053 CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)N)C3=NOC=C3)OC 1 2.455 2 4 1.14380188619121 1548039 COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.632 2 4 -18.4398165237439 1548036 CC1(CC(=O)C(=NNC2=NC3=C(S2)C=C(C=C3)OC)C(=O)C1)C 1 2.443 3 3 -5.67869559073895 1548033 CN(C)C(=O)CNC1=NNC(=S)NC1=O 1 -1.149 5 2 0 -15.7804712518658 1548006 C1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3CC4=C(C=C(C=C4)Cl)Cl 1 4.471 5 0 0.821820487627403 1547999 COC(=O)C1=CC=CC=C1NC(=O)CN2CCOCC2 1 0.499 2 4 0 -14.1017930747607 1547997 C1=CC=C(C(=C1)C(=O)NCCC2=C(NC3=C2C=C(C=C3)F)C(=O)O)C(=O)O 1 2.992 2 5 0 -7.78250901622139 1547995 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O 1 3.646 2 4 -2.25465232256768 1547976 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5 1 5.402 3 3 -14.4329517208296 1547970 C1=CC=C(C=C1)CNC(=O)C2=NC3=CC=CC=C3C=C2 1 3.236 2 1 -10.3168576876963 1547964 CC1=CSC(=N1)NC(=O)C2=NC=CN=C2 1 2.1e-002 4 1 0 -8.82750698650506 1547963 CC1=CC=C(C=C1)C2=NN=C(O2)NC3=CC=CC=C3 1 3.069 3 1 3.44364957533264 1547954 CC1=C(C(C(=C(N1C2=CC=C(C=C2)OC)C)C(=O)OC)C3=CC=CC=C3)C(=O)OC 1 4.063 1 5 -10.2503904524074 1547938 C1=CC=C(C=C1)CNC(=O)CC2=CC=CS2 1 2.609 1 1 -12.3205412941896 1547898 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC 1 1.715 2 4 0 -13.0570784755101 1547896 CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 2.217 2 3 -12.0900565039471 1547890 C1CCC2(C1)C(=C(NC(=C2C#N)SCC3=CC=CC=C3)N)C#N 1 3.193 4 0 -9.68734672917901 1547881 CCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NC(=S)NC3=CC=CC=C3 1 4.027 5 2 0 -13.3863089806761 1547875 CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NC(=S)NC3=CC=CC=C3 1 4.18 5 1 -12.207119619824 1547874 CC(C)C(=O)NC1=NN=C(S1)NC(=S)NC2=CC=CC=C2 1 3.159 5 1 -13.8927302041082 1547871 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC(=CS2)C3=CC=CS3 1 3.463 2 4 -5.86849107627261 1547860 CCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 2.064 2 4 -13.8503292243901 1547851 C/C=C/C1=CC(=C(C(=C1)OC)O)CN2CCN(CC2)C3=CC=CC=C3 1 4.228 2 2 4.97369859370994 1547841 CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=CN=C3)Br 1 3.375 1 4 -11.1275365227524 1547835 COC1=CC2=C(C=C1)NC3=CC=CC=C3S2(=O)=O 1 2.636 1 3 -4.30084241797443 1547825 CCOC(=O)C1=C(N=C(C(=C1C2=CC=C(C=C2)Br)C(=O)OCC)C)C 1 3.919 1 4 -1.43403009271779 1547813 CC(=O)NC1=NC(=CS1)C2=CC=CC3=CC=CC=C32 1 2.802 2 1 3.20666718207172 1547789 CCCC1=C(C=C2C(=C1)C(=C(C(=O)O2)C3=CC=C(O3)C(=O)OCC)OC(=O)CC)OC 1 4.79 0 8 0 -6.55761711090957 1547781 C1=CC=C(C=C1)NNC(=O)COC2=CC=CC=C2O 1 2.23 2 3 -0.848540561985116 1547744 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NNS(=O)(=O)C3=CC=CC=C3)O 1 2.503 2 4 -14.3585782994171 1547733 C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl 1 5.896 1 2 -1.3485001119043 1547731 CC(=O)N(C(=O)C)N1C(=O)C2=C3C(=C(C=C2)N4CCOCC4)C=CC=C3C1=O 1 0.779 3 5 0 -2.5351657694484 1547730 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)NN)NC3=CC=C(C=C3)OC 1 1.94 7 2 0 0.767798125845318 1547706 COC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O 1 1.868 2 6 0 -9.96775558369973 1547681 CC(=C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC(=CC=C3)O 1 3.762 4 3 0 -20.6586967756643 1547676 CC1=NC(=C(C(=N1)Cl)N=CC2=CC(=CC=C2)[N+](=O)[O-])Cl 1 3.245 4 2 0.331623137109958 1547507 CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CC4=CC=NC=C4 1 1.129 5 3 0 -17.0419676166091 1547506 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CC5=CC=CO5 1 2.59 4 4 0 -22.474801285399 1547505 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CC5=CN=CC=C5 1 2.258 5 3 0 -21.571654106633 1547171 CN1C(=NN=N1)C2=CC(=C(C=C2)OC)S(=O)(=O)NCC3=CC=CC=C3 1 1.543 5 3 0 -12.8429671379221 1546593 C1CCC(C1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CC=C5 1 2.239 5 2 0 -18.5272860194824 1546586 C1CCC(CC1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CC=C5 1 2.696 5 2 0 -18.8817545336505 1545986 CCOC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCN(CC3)C)N 1 2.812 4 2 -4.73513979823637 1545968 COC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3=CN=CC=C3)N 1 2.733 4 2 -10.4209788195386 1545965 CCNC(=O)C1=C(N(C(=S)S1)C2=CC=C(C=C2)C)N 1 3.151 3 1 -7.53557889063391 1545681 CC1(CC(=NNC(=O)COC2=C(C=C(C=C2)Cl)Cl)CC(=O)C1)C 1 3.029 2 3 -8.07589186442203 1545213 C1=CC=NC(=C1)C2=NNC(=S)N2N=CC3=CC=C(S3)Br 1 3.546 5 0 -2.23228952762162 1545051 CC(=NNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)C4=CN=CC=C4 1 3.331 5 3 0 -24.0328539539107 1544957 C1CN(CCN1CC2=CC=C(C=C2)Cl)CC(=O)NN=CC3=CC=NC=C3 1 2.079 5 1 -0.213178345176032 1544911 CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C(N(N=C3C)C4=CC=CC=C4)C 1 4.888 6 0 -2.89559849639346 1544899 C1=CC=C(C(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3O2)C(=O)O 1 2.773 3 4 0 -8.59864427589467 1544819 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=C(C)C3=CC(=CC=C3)O 1 1.834 4 4 0 -17.5429081633808 1544798 CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=C(S4)C 1 5.103 4 2 -20.052721899785 1544796 CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=C(C)C4=CC=CS4 1 4.938 4 2 -25.3531606918405 1544784 CC1=C(SC=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C 1 5.444 4 2 -21.5745941228253 1544777 CC1=CC=C(S1)C=NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 4.617 4 2 -20.0451207812572 1544750 C1CN(CCN1CC(=O)NN=CC2=CC=C(S2)Br)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.879 4 3 0 -16.9661668040539 1544749 C1CN(CCN1CC(=O)NN=CC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br 1 -1.048 4 5 0 -19.4266244778378 1544741 C1CN(CCN1CC(=O)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Br 1 2.916 5 5 0 -19.7867479488843 1544738 CC(=NNC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CO3 1 1.733 4 4 0 -17.4996855554548 1544679 CC(=NNC(=O)CN1CCN(CC1)CC2=CC=CC=C2Cl)C3=CC=CO3 1 2.606 4 2 -1.89440617629274 1544671 C1CN(CCN1CC2=CC=CC=C2Cl)CC(=O)NN=CC3=CC=CC=N3 1 2.508 5 1 -1.47964395293134 1544663 CSC1=CC=C(C=C1)C=NNC(=O)CN2CCN(CC2)CC3=CC=CC=C3Cl 1 3.772 4 1 -0.544752454649326 1544643 CC1=CC(=C(C=C1)CN2CCN(CC2)N=CC3=CC=C(C=C3)C(F)(F)F)C 1 5.019 3 0 7.97156523812126 1544625 CC(=NN1CCN(CC1)CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC(=O)C 1 3.517 3 2 3.28063241568772 1544609 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=CC=C4C(=O)O)Cl 1 5.217 4 3 0 -14.6947970616663 1544586 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=CC3=CC(=CC=C3)OC 1 0.588 6 4 0 -21.3744341608988 1544570 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=CC=C4C(=O)O 1 4.553 4 3 0 -14.731307122585 1544555 COC1=C(C=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=C3OC)Br 1 3.908 3 2 2.30045906806535 1544554 COC1=CC=CC=C1N2CCN(CC2)N=CC3=C(C=C(C=C3OC)OC)OC 1 3.127 3 4 0 0.277653081268277 1544550 CC(=O)OC1=C(C=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=C3)OC 1 2.944 3 3 -1.39195239900526 1544413 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC)C(=O)COC3=CC=CC(=C3)C 1 4.763 1 5 -4.02426889891222 1544371 CN1C2=CC=CC=C2N=C1C3=C(N(C(=S)S3)C4=CC=CC=C4)N 1 4.754 4 0 0.436353971419774 1544359 CC1=CC=C(C=C1)N2CCN(CC2)N=CC3=CC=C(C=C3)N(C)C 1 3.841 4 0 1.63389289300765 1544324 CC(=C)CN1C(=NN=C1SCC(=O)NN=CC2=CC=CC=C2OCC(=O)O)C3=CC=C(C=C3)Br 1 4.39 5 4 0 -18.5206830125011 1544318 CC(=NNC(=O)C1=CC=CO1)C2=CC=CC3=CC=CC=C32 1 2.967 2 2 -4.73647544395324 1544283 CC(=NNC(=O)C1=CC=NC=C1)C2=CN=CC=C2 1 0.362 4 1 0 -8.32035491947381 1544244 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC(=CC=C4)[N+](=O)[O-] 1 4.711 4 3 0 -7.86957215826859 1544242 CC1=CC=C(O1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.357 3 2 -5.59020323106401 1544239 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CN=CC=C4 1 3.665 4 1 -5.37422607871529 1544191 CC1=CC(=C(O1)C)C(=O)NN=CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3 1 3.628 2 4 -11.2927432586406 1544189 CC1=CC(=C(O1)C)C(=O)NN=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC 1 3.628 2 4 -11.614552420772 1543852 C1=CC(=CN=C1)C2=NC(=C(C=C2)C#N)SCC3=CC(=C(C=C3)Cl)Cl 1 5.347 3 0 -5.18256224966181 1543771 CC1=CC=CC=C1C2=NNC(=S)N2N=CC3=C(N(N=C3C)C4=CC=CC=C4)C 1 4.888 6 0 -3.5260402575037 1543756 C1=CC(=CC(=C1)Cl)C=NN2C(=NNC2=S)C3=CC=CO3 1 3.806 4 1 0.890371679517352 1543495 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3 1 4.188 1 4 -7.167732257447 1543490 COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=CC3=C2N=CC=C3)OC 1 2.799 2 4 -12.2403564355082 1543323 C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=NC=C3 1 2.596 5 0 -2.68085899697772 1543314 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=C/C(=C/C3=CC=CC=C3)/Br 1 1.418 6 3 0 -24.5409688633464 1543264 CCN1C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC(=C(C(=C3)OC)OC)OC 1 3.639 4 4 0 -14.7209811816927 1543216 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=CC3=CC=C(S3)Br 1 1.126 6 3 0 -19.3549584332535 1543212 CN1C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC(=C(C(=C3)OC)OC)OC 1 3.29 4 4 0 -13.2390358831851 1543179 CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=C(S4)C 1 5.275 5 1 -8.68485559521728 1543071 CCN(CC)C(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)Cl 1 4.14 3 1 -17.4907586549332 1543058 CC1=CC=C(O1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 4.895 5 2 0 -8.58021720829267 1543055 C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NN=CC4=CC=CO4 1 4.749 5 2 0 -8.72349124937206 1543050 C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NNC(=S)NC4=CC=CC=C4 1 5.945 6 1 0 -10.8433808481799 1542872 CCN1C(=NN=C1SCC(=O)NN=CC2=CC=CC=C2OCC(=O)O)C3=CC=C(C=C3)C 1 3.413 5 4 0 -15.0331747097246 1542865 CCN1C(=NN=C1SCC(=O)NN=CC2=CC=C(O2)C)C3=CC=C(C=C3)C 1 3.489 5 2 0 -11.6513611904338 1542712 CCN1C(=NN=C1SCC(=O)NN=CC2=CC=CC=C2OCC(=O)O)C3=CC=C(C=C3)C(C)(C)C 1 4.327 5 4 0 -12.4550405606133 1542675 CCN1C(=NN=C1SCC(=O)NN=CC2=CC=CC=C2OCC(=O)O)C3=CC=C(C=C3)Cl 1 3.591 5 4 0 -13.2111760191378 1542612 C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)N=CC5=CC=C(C=C5)C(=O)O 1 1 3 2 0 -2.00793037290252 1542606 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3C(=NNC3=S)C4=CC=C(C=C4)Cl 1 5.066 6 0 -0.885303211472842 1542603 C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=O)CC3=CC=CS3 1 4.238 2 2 -8.33842400220096 1542591 C1CN(CCN1CC2=CC=CC=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.663 4 2 3.34230452378486 1542586 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=CS2)OCC3=CC=CC=C3 1 4.187 2 3 -10.3477413325684 1542408 COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)N2CCCC3=CC=CC=C32)OC 1 3.119 1 6 0 -13.0362105830902 1542280 C1=CC=C2C(=C1)C=CC=C2OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.063 2 4 -9.96150711239269 1542201 C1=CC=C(C=C1)CSCC2=NC3=CC=CC=C3N2 1 3.671 2 0 -3.73113891421998 1542114 CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5CCCC5 1 3.61 6 0 4.49054368845747 1542113 CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)CCC5=CC=CC=C5 1 4.113 6 0 5.15446636698668 1542107 C1CCC(C1)N2CCN(CC2)C3=NC=NC4=C3C=NN4CC5=CC=C(C=C5)Cl 1 3.788 6 0 6.31254237904429 1542100 C1COCCN1CCNC2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)Cl 1 2.049 6 1 0 -1.51392755427506 1542071 CCN(CC)CCNC1=C2CCCCC2=C(C3=NC4=CC=CC=C4N13)C#N 1 4.912 5 0 -14.1222620095252 1542056 CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4C=NC5=CC=CC=C54)C#N 1 5.45 5 0 -6.57945502178939 1542038 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C3C(=C(OC3=N2)C)C)NC(=O)C4=CC=CC=C4 1 4.412 4 5 0 -13.1549007498744 1541783 COC1=CC=CC=C1N2C(=O)CSC2=NC(=O)C3=CC=CC=C3 1 3.52 2 3 -13.9466792335143 1541686 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2 1 1.152 3 4 0 -8.71766820123869 1541685 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3 1 3.368 2 4 -13.419369371149 1541680 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC3=C(CCC3)C=C2)C 1 4.833 1 2 -2.44816853751621 1541678 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CCC3)C=C2 1 3.358 1 3 -5.11102017902908 1541674 CC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.476 2 3 -11.8025597294627 1541671 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CCC3)C=C2 1 2.495 2 3 -9.27365089884025 1541669 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CCC3)C=C2 1 3.86 1 2 -4.69805396988494 1541667 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 -0.228 4 6 0 -19.2947076290509 1541659 C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl 1 2.109 1 2 -6.91287129550782 1541658 C1CC2=C(C(=CC=C2)O)N(C1)S(=O)(=O)C3=CC=C(S3)Cl 1 3.058 1 3 -1.78476842020797 1541653 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)S(=O)(=O)C5=CC=CC=C5)C=C1 1 1.772 5 3 0 -22.7018916296299 1541647 C1COCCN1C2=CC=CC=C2NC3=NC(=C(S3)Cl)S(=O)(=O)C4=CC=CC=C4 1 3.69 3 3 -8.4677016622887 1541643 CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 1.909 4 4 0 -19.2542298261584 1541625 C1CCCC2=C(CC1)C=C3C(=C(SC3=N2)C(=O)N4CCCC4)N 1 3.592 3 1 -14.216490552475 1541587 CCN(CC)C(=O)C1=C(C2=C(S1)N=C(C=C2)C3=CC=CC=C3)N 1 3.343 3 1 -6.8468842573593 1541121 CN1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NCC4=CC=CC=C4)N 1 2.367 4 1 -14.02811970001 1541055 CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)C 1 4.403 3 2 -16.7832844075861 1541054 CCOC1=CC=CC(=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)C 1 4.403 3 2 -16.7594585308627 1541053 CC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)OC)C#N 1 4.055 3 2 -16.017061255878 1540951 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C 1 3.666 3 2 -3.5012254339954 1540950 C1CCC(=CC1)CCNS(=O)(=O)C2=CC=C(C=C2)F 1 3.274 1 2 -6.0171492357099 1540897 CCN(CC)C1=CC=C(C=C1)C(=S)N2CCN(CC2)C3=CC=CC=C3 1 5.156 3 0 -4.1548839456269 1540890 CC1=CC=C(C=C1)N2CCN(CC2)C(=S)C3=CC=C(C=C3)N(C)C 1 4.945 3 0 -1.60019488922608 1540853 C1CCN(C1)C(=S)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 4.228 2 3 -1.90547312449765 1540799 CC1=C(C(=NN1C(=O)CNS(=O)(=O)C2=CC=CC=C2)C)SC3=CC=C(C=C3)Cl 1 3.901 3 3 -3.66404792223634 1540788 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=NC4=CC=CC=C4S3 1 2.028 3 5 0 -18.8678425350033 1540729 COC(=O)/C=C\1/C(=O)N=C(S1)N 1 0.333 2 3 0 -4.00962444596862 1540666 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)N5CCC(CC5)C 1 3.561 3 5 0 -18.5618832282839 1540642 CN(C)S(=O)(=O)C1=CC2=C(C=C1)C3=C(C2=NO)C=C(C=C3)S(=O)(=O)N(C)C 1 1.223 3 5 0 -9.6383944679944 1540603 CCOC(=O)NC1(OC2=CC=CC=C2O1)NC(C)C 1 3.906 2 4 -7.27760474111764 1540596 C1CCN(CC1)C2=CC(=NC=N2)NC(=O)C3=CC=CC=C3 1 2.993 4 1 -3.24736383390779 1540564 CCOC(=O)CC1=CSC(=N1)NC(=O)NC2(OC3=CC(=C(C=C3O2)Cl)Cl)C(F)(F)F 1 5.317 3 5 0 -6.87052353557049 1540560 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(=O)C4=CC=CC=C4 1 4.177 3 2 -10.7991973067027 1540551 C1CN(CCN1C2=CC=CC=C2F)C(=O)NC(=O)C3=CC=CC=C3 1 2.858 3 2 -2.09223380294753 1540545 CC1=CC(=NC=C1)NC(=O)NC(=O)C2=CC=C(C=C2)OC 1 2.252 3 3 -2.50917529740949 1540508 CCOC(=O)NC1(OC2=CC=CC=C2O1)NC3=NC=C(C=C3)Cl 1 4.615 3 4 0 -3.50272860434401 1540501 CCOC(=O)NC1(OC2=CC=CC=C2O1)NCC3=CC=CC=C3 1 4.763 2 4 -3.43348369102674 1540494 CCOC(=O)NC1(OC2=CC=CC=C2O1)NC3CCCCC3 1 5.038 2 4 -6.12775089536147 1540410 C1=CC=C(C(=C1)OCC(=O)NN)F 1 0.381 2 2 0 -3.83930887960852 1540408 C1=CC=C2C(=C1)N=CN2CC(=O)NN 1 -8.7e-002 4 1 0 -7.75518682912024 1540406 C1=CC=C(C=C1)NC(=O)C2=NC(=CC=C2)C(=O)NC3=CC=CC=C3 1 3.105 3 2 -7.82726386043619 1540355 CN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)N 1 2.729 3 0 6.0124700934354 1540154 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=O)CS3)N=CC4=CC=CC=C4 1 2.826 5 2 0 -16.4795187308521 1540147 COC1=C(C=C(C=C1)/C=C\2/C(=S)NC(=O)S2)OC 1 2.808 1 3 -3.856132639445 1540074 CC1=C(C=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N)C4=CC=CC=C4)OC(C)C 1 5.366 4 2 8.53084380377012 1540015 CSC1=CC=CC(=C1)NC(=O)COC2=CC=CC3=CC=CC=C32 1 3.9 1 2 -2.61239836349746 1539833 C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 2.617 1 6 0 -16.0012095158085 1539829 COC1=CC=C(C=C1)C(=O)CSC2=CC=CC=C2C(=O)O 1 3.241 0 4 -5.54505468021812 1539823 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.991 2 3 0 -21.597650782342 1539818 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NN=CC3=CN=CC=C3 1 2.023 4 3 0 -19.0440080567518 1539705 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O 1 2.418 1 4 -13.5278372810576 1539700 CCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 4.466 3 3 -16.746077913014 1539695 COC(=O)NC(=C(Cl)Cl)S(=O)(=O)C1=CC=CC=C1 1 2.626 1 4 -8.27415075747551 1539603 CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCC3=NN=C(S3)N 1 2.062 5 2 0 -7.19979657273537 1539494 COC1=CC=C(C=C1)C=NNC(=O)CCSC2=NC3=CC=CC=C3S2 1 3.934 3 2 -8.94215537280203 1539485 COC1=CC=C(C=C1)C=NNC(=O)CCN2C=NC(=C2C3=CC=CC=C3)C4=CC=CC=C4 1 4.616 4 2 -6.86489895017333 1539367 CC(C)C1=CC(=NN1)C(=O)NN=C/C(=C/C2=CC=CC=C2)/Br 1 3.643 4 1 -7.04811831526285 1539302 CCOC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.156 1 5 -9.6335597891359 1539189 C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NN=CC4=CC=C(C=C4)[N+](=O)[O-] 1 3.028 5 5 0 -3.85832838572148 1539187 C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NN=CC4=CC(=CC=C4)[N+](=O)[O-] 1 3.028 5 5 0 -4.24486015985588 1539185 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4 1 3.296 5 3 0 -4.4252169769769 1539182 C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NN=CC4=CC=C(C=C4)F 1 3.339 4 3 0 -1.05205357289899 1539181 C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NN=CC4=CC(=CC=C4)O 1 2.891 4 4 0 0.339691255004299 1539031 C1=CC=C(C=C1)COC2=CC=CC=C2C3=NNC(=C3)C(=O)NN=CC4=CN=CC=C4 1 3.782 5 2 0 -4.34921371600772 1538929 C1OC2=C(O1)C=C(C=C2)C=NNC3=NC(=CS3)C4=CC=C(C=C4)Br 1 4.272 3 2 3.17632835795724 1538798 CC1=CC(=O)C(=C(N1C2=CC=C(C=C2)F)O)C(=O)C 1 2.406 1 3 -1.40181135816598 1538766 CN1C(=NN=C1SCC(=O)OCC(=O)C2=CC=CC=C2)C3=CC=CS3 1 3.324 3 3 -19.0415663015603 1538756 CCN1C(=NN=C1SCC(=O)N2C(=CC(=N2)C)C)C3=CC4=C(C=C3)OCO4 1 2.903 5 3 0 -14.8650953689884 1538724 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CCN2CCOCC2 1 4.07 1 3 -0.156360633527223 1538720 CCOC1=CC2=C(C=C1)N(C(=S)N2CO)CO 1 2.462 2 3 -0.415585353491508 1538716 CC(C)SC1=NC2=CC=CC=C2N1 1 3.155 2 0 -0.487601490841155 1538702 C1CN(CCN1CCC2=CC=CC=C2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5 1 3.62 6 0 8.5609987634892 1538701 C1CN(CCN1CCOC2=CC=CC3=CC=CC=C32)C4=NC=NC5=C4C=NN5C6=CC=CC=C6 1 4.255 6 1 0 8.39879502491208 1538539 C1CSC(=N1)NC(=O)CNC(=O)COC2=CC=CC=C2 1 0.997 3 3 0 -17.835430409849 1538518 C1CCC(CC1)CCC(=O)NC2=NN=CS2 1 2.252 3 1 -12.6124901153722 1538491 C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NN 1 0.291 3 2 0 -8.61062925332248 1538456 C1COCCN1C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 2.458 2 2 -12.1819134520048 1538262 CC1=CN2C(=NC(=C(C2=O)C=NCC3=CC=CC=C3)NCC4=CC=CC=C4)C=C1 1 3.459 4 1 -11.0364867546281 1537655 CC(=O)NC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 1.188 3 4 0 -12.5679815447405 1537562 COC1=C(C=C(C=C1)CCNC(=O)[C@@H]2C[C@H]2C3=CC=CC=C3)OC 1 3.287 1 3 -11.4875090751341 1537537 COC1=C(C=C(C=C1)/C=C/C(=O)N2CCCC2)OC 1 2.14 1 3 -8.71803440184554 1537522 C1CCC(CC1)CCC(=O)NCCN2CCOCC2 1 2.028 2 2 -16.1384909872125 1537496 COC(=O)CC1=CSC(=N1)NC2=CC=C(C=C2)Cl 1 2.723 2 2 -0.775705863331115 1537492 CC1=CC=C(C=C1)N2C(=CSC2=N)C 1 2.633 2 0 -4.17695525229063 1537484 C1=CC=C(C=C1)N=C2N(C(=CS2)CO)C3=CC=CC=C3 1 3.041 2 1 -2.47210898590049 1537483 CC1=CSC(=N)N1C2=CC=C(C=C2)Cl 1 2.811 2 0 -2.16665996737001 1537454 CC1=CSC(=NN=C(C)C2=CC(=CC=C2)[N+](=O)[O-])N1CC3=CC=CO3 1 3.061 4 3 0 -10.11960011495 1537447 CC1=CSC(=NN=CC2=CC=CC=C2)N1CC3=CC=CO3 1 3.187 3 1 -6.94655797393175 1537407 CC1=CSC(=NN=C2CCCCC2)N1CC3=CC=CO3 1 2.912 3 1 -8.86387734002767 1537399 CC1=CSC(=NN=CC2=CC(=CC=C2)[N+](=O)[O-])N1CC3=CC=CO3 1 3.081 4 3 0 -9.52715587703111 1537266 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)O 1 2.908 1 6 0 -14.6965311950545 1537243 CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)N=CC3=CN=CC=C3)C)C 1 2.298 4 3 0 -14.867530275161 1537240 C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CN=CC=C4 1 2.62 4 1 -11.7565106910385 1537239 CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC3=C(C=C2)OCO3)C 1 2.812 3 3 -17.6133610822683 1537229 CC1=CC(=CC=C1)NC(=O)CN2CCCCCC2 1 2.816 2 1 -2.70818309697989 1537221 CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1N=CC4=CC=CO4 1 3.38 3 2 -1.56837003762003 1537203 CCC1=NC2=C(C=CS2)C(=O)N1 1 1.282 2 1 0 -5.83251418870516 1537190 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4S3 1 3.401 2 3 -11.4490188285815 1537164 CC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)N4C5=CC=CC=C5N=N4)C 1 5.529 5 0 1.50144410737937 1537120 CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C)C 1 4.688 3 1 -5.07009693942564 1537117 CC1=CC=C(C=C1)C2=NN3C=NN=C3C4=CC=CC=C42 1 3.499 4 0 -0.56896628992038 1537115 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=CC=C3F)F 1 2.118 3 2 -16.9803785495735 1537070 C1COCCN1CC(=O)NC2=CC3=C(C=C2)OCO3 1 0.412 2 4 0 -9.95100442648298 1537069 C1CCC2=C(C1)C3=C(N=CN=C3S2)OC4=CC=CC(=C4)C(=O)O 1 4.224 2 3 -6.53442876603523 1537068 CCOC(=O)C1=C(NC(=C1C)C(=O)CN2CCOCC2)C 1 1.484 2 4 0 -9.73807951641257 1537066 CCN1CCN(CC1)C2=NC3=CC=CC=C3S2 1 2.303 3 0 5.11176470825934 1537056 CC1=CC=C(N1N2C(=NC3=C(C2=O)C(=CS3)C4=CC=C(O4)C)C)C 1 3.096 3 2 -2.24282393702688 1537055 CC1=CC=C(N1N2C(=NC3=C(C2=O)C4=C(S3)CCCCC4)C)C 1 3.877 3 1 -15.2606651818655 1537043 CC1=CC(=CC(=C1C)C)C2=CSC3=C2C(=S)NC=N3 1 4.413 2 0 2.19705212838679 1537038 CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CCl 1 2.458 1 2 -6.54122361781006 1537028 CC(=O)N1CCC2=C1C=CC(=C2)NN=C3C(=O)CC(CC3=O)(C)C 1 1.872 3 3 0 -19.1009197597798 1537017 CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CCl)C 1 3.602 1 2 -5.23253352712395 1536986 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)C)C 1 3.634 2 2 -1.37145317476352 1536984 C1CC(=O)C(=NNC2=CC=CC(=C2)C(=O)O)C(=O)C1 1 1.643 2 4 0 -8.79665267315381 1536979 CC1=CC=C(N1N2C=NC3=C(C2=O)C(=C(S3)C(=O)OC)C)C 1 2.591 3 3 -13.9328828803544 1536969 C1=CC=C(C=C1)NC2=NC(=C(S2)CC(=O)O)C3=CC=CS3 1 3.596 2 2 -3.80117353918123 1536966 C1=CSC(=C1)C2=C(SC(=N2)NC3=CC=C(C=C3)Cl)CC(=O)O 1 4.26 2 2 -1.72512648369628 1536964 CC1=CC=C(N1N2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4)C 1 3.43 3 1 -4.91688743346577 1536916 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4C=NC5=CC=CC=C54 1 4.953 4 0 -0.157633284636375 1536896 C1CCC2=C(C1)C(=C(S2)NC(=O)/C=C/C3=CC=CS3)C(=O)O 1 3.835 1 3 -12.2049706220547 1536877 C1=CC=C(C=C1)CN2C(=O)C3=C(N=C2SCC(=O)N)SC=C3C4=CC=C(C=C4)Cl 1 4.643 3 2 -11.4944677888286 1536865 CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)C)N 1 1.182 3 2 0 -2.54418142508072 1536777 CC1=C(SC2=NC=NC(=C12)NC3CCN(CC3)CC4=CC=CC=C4)C 1 3.785 4 0 1.37159060258705 1536758 C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)C4=CN=CC=C4 1 2.775 2 2 4.50606066240679 1536754 CC1=C(C=C(C=C1)NC(=O)C2=C(N=C(S2)N)C3=CC=C(C=C3)[N+](=O)[O-])C 1 3.97 4 3 0 1.01210896454288 1536746 C1C(=O)N(C(=S)S1)NC(=O)CC2=CC=CC3=CC=CC=C32 1 2.926 2 2 -8.97102728467511 1536744 CCOC(=O)C(=NNC1=CC=C(C=C1)F)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.755 3 5 0 -3.42676009275345 1536697 CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=CC=C(C=C3)Cl 1 4.731 1 1 3.93350886359452 1536671 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)CN3CCCC3 1 3.868 2 1 -2.15016833218592 1536661 CC1=NC2=C(C=CS2)C(=N1)SCC3=CC=CC=C3 1 3.732 2 0 -8.98940802715141 1536646 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=CC=CS2 1 2.513 1 3 -12.9767188147128 1536623 CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CCl 1 3.597 1 1 -8.87465462410798 1536582 COC1=CC=C(C=C1)C2=CC(=NC3=NC=NN23)C4=CC=CC=C4 1 4.118 4 1 -2.88262568453387 1536556 COC1=C(C=CC(=C1)C=NNC(=O)N)OC(=O)C2=CC=CO2 1 1.619 3 5 0 -11.2954159970872 1536508 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OC3=CC=CC=C3C=NNC(=S)N 1 3.261 3 4 0 -11.4430673755286 1536482 C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC=C2C=NNC(=S)N 1 3.699 3 2 -6.02713395456887 1536458 C1=CC(=CN=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=S)N 1 2.081 4 2 -11.9183411998847 1536447 C1=C(OC(=C1)Br)C=NNC(=S)N 1 1.763 3 1 0 -5.7017723690227 1536399 C1=CC=C(C=C1)C=NNC(=O)C2=CC=[N+](C=C2)[O-] 1 0.688 3 2 0 -9.27909591027575 1536396 CN1C=CC=C1C=NNC(=O)C2=C[N+](=CC=C2)[O-] 1 0.279 4 2 0 -10.3512868455033 1536390 COC(=O)C1=CC=CC=C1NC(=O)C2=CC=[N+](C=C2)[O-] 1 0.475 2 4 0 -15.4493316464276 1536389 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)[O-] 1 0.824 2 4 0 -10.530063560175 1536368 CN(C)N=CC1=CC(=C(C=C1)OC(=O)C2=CC=CO2)OC 1 2.374 2 4 -6.53834674289566 1536342 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC=CO3 1 3.388 3 7 0 -14.4660130395962 1536335 C1=CC=C(C(=C1)C=NNC(=O)N)OC(=O)C2=CC=CC=C2Br 1 2.989 3 3 -6.52931446373826 1536281 CC1(C(=O)N(C(=NC2=CC=CC=C2)S1)S(=O)(=O)C3=CC=CC=C3)C 1 4.035 2 3 -7.5892055874859 1536275 CC1=CN2C(=NC(=C(C2=O)C=O)NCC3=CC=CC=C3)C=C1 1 1.615 3 2 0 -10.1717085623432 1536257 CC(C)N1C(=NN=N1)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=CC=C3 1 2.263 5 3 0 -11.4785236000085 1536217 CCNC(=O)/C(=C/C1=C(N=C2C=CC=CN2C1=O)N3CCOCC3)/C#N 1 2.1e-002 5 3 0 -22.4889069692296 1535890 C1=CC=C(C=C1)COC2=CC=CC=C2NC(=O)C3=CC=CC=C3Br 1 4.93 1 2 -7.01679602418127 1535381 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=CS3)C4=CC=CC=C4 1 2.779 4 1 -4.35533943852489 1535377 CCOC(=O)N1CCN(CC1)C(=O)C2=CN=C(C=C2)Cl 1 1.175 3 3 0 -8.51048843996789 1535371 C1CN(CCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl 1 0.738 2 3 0 -21.2046749198792 1535370 C1CN(CCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Br 1 0.822 2 3 0 -22.6613346649806 1535368 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)NCC2 1 -0.806 3 4 0 -28.1058633448501 1535341 C1=CC=C2C(=C1)N=C(S2)SCC3=CC=CS3 1 4.32 1 0 -2.79298115719023 1535327 CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C 1 2.962 2 3 -10.026312385021 1535318 C1CN(CCC1C(=O)NC2=CC=CC=N2)S(=O)(=O)C3=CC=CS3 1 1.378 3 3 0 -9.53018829753755 1535307 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCC3 1 2.249 3 5 0 -19.8918873742544 1535306 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.242 2 5 0 -21.3342669229721 1535225 CC1=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C(N1C)C 1 2.403 1 2 0.21958291174028 1535210 CC1=CC(=O)C=C(N1C2=CC(=C(C=C2)Cl)Cl)C 1 3.913 1 1 1.05996381875233 1535153 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=CC=CC=C4)C=CC=C3C1=O 1 2.735 2 3 -6.6367843356418 1535139 C1CN(CCN1CNC(=O)C2=NC=CN=C2)C3=CC=CC=N3 1 0.304 6 1 0 -6.408956761688 1535126 CC1=CC2=C(N1)C=CC(=C2)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.011 2 4 -10.1157706995212 1535106 CC1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC=CO3 1 2.448 2 2 -2.01122359205227 1535062 C1CN(CCN1CNC(=O)C2=NC=CN=C2)C3=CC=CC=C3 1 0.915 5 1 0 -5.6777154622051 1535061 C1CN(CCN1CCO)CNC(=O)C2=NC=CN=C2 1 -1.296 5 2 0 -6.84767003661346 1535017 C1CN(CCN1/C=C/2\C(=O)C3=CC=CC=C3OC2=O)C4=CC=CC=C4 1 2.916 2 3 0.609123582965316 1534972 CCN1C2=C3C(=C(C=C2)S(=O)(=O)N4CCC(CC4)C)C=CC=C3C1=O 1 2.533 2 3 -17.1469473600348 1534959 CN(C)C1=CC=C(C=C1)C=NNC(=S)SC 1 3.404 3 0 -4.33149022072191 1534957 COC1=C(C=C(C=C1)C=NNC(=S)SC)OC 1 3.209 2 2 -5.96235360083269 1534931 C1COCCN1CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CC=CS4)Cl 1 3.827 2 3 -4.07987708496615 1534930 C1COCCN1CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CC=CC=C4Br)Cl 1 4.622 2 3 -0.901569987644953 1534928 C1COCCN1CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CC=CC=C4F)Cl 1 4.079 2 3 -1.67319000251923 1534926 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C3C(=C(C=C2CN4CCOCC4)Cl)C=CC=N3 1 3.824 2 6 0 -6.67289116930525 1534925 COC1=CC=CC(=C1)C(=O)OC2=C3C(=C(C=C2CN4CCOCC4)Cl)C=CC=N3 1 3.857 2 4 -4.62138232700271 1534922 COC1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2CN4CCOCC4)Cl)C=CC=N3 1 3.857 2 4 -3.04769337564658 1534921 C1COCCN1CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CC=CC=C4)Cl 1 3.874 2 3 -3.59881190917161 1534876 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NCCC4=CNC5=CC=CC=C54)C=CC=C3C1=O 1 3.357 3 3 -13.302493749364 1534875 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NCC4=CN=CC=C4)C=CC=C3C1=O 1 1.591 3 3 0 -10.2530977272582 1534754 CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=CC=C2)Br 1 4.508 3 1 -7.45023991876038 1534752 CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC=NC=C2 1 2.609 4 1 -8.60943384340808 1534748 CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC=CC=C2 1 3.795 3 0 -10.3309964678319 1534660 COC(=O)NC(=C(Cl)Cl)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 4.67 1 3 -6.39152398678356 1534649 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)/C=C/C4=CC=CC=C4 1 2.197 2 4 -1.90609064961282 1534532 C1=CC=C(C=C1)NC(=O)CN2C=C(C=CC2=O)C(F)(F)F 1 1.421 2 2 0 -6.9640998112049 1534427 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC=C(C=C3)C(=O)O 1 1.079 2 6 0 -6.23474172847788 1534402 C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.45 2 4 0 -4.59448114712355 1534397 COC1=CC(=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O)OC 1 1.417 2 6 0 -8.83809231591887 1534395 CC1=CC(=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O)C 1 2.422 2 4 -4.65817801056787 1534394 CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O)C 1 2.422 2 4 -4.51732882637792 1534393 CC1=C(C(=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O)C 1 2.422 2 4 -3.36054896635653 1534391 COC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.433 2 5 0 -4.68238022088194 1534374 C1CCC(CC1)N(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)F 1 2.492 1 4 -8.45643969416249 1534372 C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)C(=O)CC3=CC=CC=C3 1 3.206 2 2 -11.5950351437207 1534350 COC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3 1 2.812 2 3 -10.9801615220417 1534285 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.475 5 4 0 -22.2282798929365 1534282 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4NC3=S 1 2.811 4 2 -13.2612163030859 1534279 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)SCC3=CC=CC=C3 1 3.921 3 1 -15.0574249555627 1533905 COC1=CC(=CC(=C1OC)OC)C=NN(CCO)C2=NS(=O)(=O)C3=CC=CC=C32 1 1.882 3 6 0 -4.52633752736873 1533874 CN(C)[C@@H]1N2C(=NN1C(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4S2(=O)=O 1 3.345 4 3 0 -4.21655906839695 1533848 CCCN1C2=C(C(C3=C1CCCC3=O)C4=CC(=C(C=C4)O)Br)C(=O)CCC2 1 4.262 1 3 -13.5485281000768 1533841 CC1(CC2=C(C(C3=C(N2C)CC(CC3=O)(C)C)C4=CC(=C(C=C4)O)OC)C(=O)C1)C 1 3.54 1 4 -14.8640827739622 1533716 CC1=C(NC(=NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C 1 1.723 4 3 0 -5.52724735165615 1533715 CCC1=C(NC(=NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C 1 2.18 4 3 0 -7.30534394109726 1533650 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=O)C=C(N4)C5=CC=CC=C5 1 2.512 4 3 0 -3.85390058720862 1533490 CCC1=CC2=C(C=C1)NC(=C(C2=O)C3=CC=CC=C3)O 1 4.073 1 2 -1.87495305398467e-002 1533088 C1CCN(C1)C(=O)CCC2=CC=CC=C2 1 2.196 1 1 -7.27159694899144 1532848 CC1=CC(=C(C=C1)C)OCC(=O)N2CCC3=CC=CC=C3C2 1 3.709 1 2 -8.59805782099876 1532432 CCOC1=CC2=C3C(=C1)/C(=C/4\C(=O)NC(=O)S4)/C(=O)N3C(C=C2C)(C)C 1 2.645 2 4 -2.98165451771118 1532254 CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCCCC3 1 3.12 2 3 -17.7152663803636 1532135 C1COCCN1C2=CC(=O)N=C(N2)N 1 -0.522 4 2 0 -8.43181446584149 1532134 COC1=CC=C(C=C1)CCNC2=CC(=O)N=C(N2)N 1 1.143 4 2 0 -6.9843502470245 1531944 CCOC1=C(C=CC(=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC=C(C=C3)Cl)C(=O)OC)O 1 3.718 1 6 0 -7.23908303920881 1531668 CC(C)C1=NN=C(S1)NS(=O)(=O)C 1 0.605 3 2 0 -9.03735948187438 1531666 CC1(CC2=C(C=CC3=CC=CC=C23)C(=N1)C4=CC5=CC=CC=C5OC4=O)C 1 5.09 1 2 2.77967162523279 1531603 CN1CCN(CC1)C=NC2=C(C(=C(N2CC3=CC=CO3)C4=CC=CC=C4)C5=CC=CC=C5)C#N 1 4.691 5 1 -0.883916739714401 1531602 C1COCCN1C=NC2=C(C(=C(N2CC3=CC=CO3)C4=CC=CC=C4)C5=CC=CC=C5)C#N 1 4.422 4 2 -5.01517443544663 1531601 C1CCN(C1)C=NC2=C(C(=C(N2CC3=CC=CO3)C4=CC=CC=C4)C5=CC=CC=C5)C#N 1 5.195 4 1 -2.98060757578707 1531453 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCO4)C 1 3.631 2 3 -0.708622473805221 1531414 CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)OCCN(C)C)C=C1 1 4.228 3 4 0 -2.45564846673595 1531402 CN1C2=C(C(=O)N(C1=O)C)C(N=C(N2)CCC3CCCCC3)(C(F)(F)F)C(F)(F)F 1 3.904 4 2 -8.26331627804262 1531273 CN1C2=C(C(=O)N(C1=O)C)C(N=C(N2)C3CCCCC3)(C(F)(F)F)C(F)(F)F 1 3.202 4 2 -7.18499433742271 1530879 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=CNC2=O)C(F)(F)F 1 0.665 3 5 0 -10.4838713317214 1530866 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)NCC2 1 0.559 2 3 0 -23.026673610466 1530842 C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC(=CC=C3)O 1 3.873 2 4 -8.50295359132591 1530835 CC1(CC(=CC(=O)C1)NNC(=O)C2=CC=CC=C2)C 1 1.611 2 2 0 -16.3888591455814 1530817 C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=CO3 1 3.51 2 4 -10.8155774805879 1530470 COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3 1 1.944 2 4 0 -8.32290520406644 1530469 COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3 1 1.978 2 4 0 -9.41214754185155 1530411 COC1=CC=CC=C1C(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4OC 1 2.951 3 3 -3.35287081499313 1530410 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4 1 2.67 3 3 -7.24396759415937 1530409 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4OC 1 2.654 3 4 0 -9.00785567372589 1530408 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4OC 1 3.156 3 3 -8.76366231349119 1530100 CN1CCN(CC1)NC(=O)NC2CCCCC2 1 0.899 4 1 0 -5.35362619608421 1530073 CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NN2CCN(CC2)C 1 2.577 3 1 1.55722706900153 1530057 COC(=O)NC1=NC=C(S1)CN2CCC3=CC=CC=C3C2 1 2.4 3 2 -6.9620474378896 1529902 CC1=C(C2=CC=CC=C2N1)/C=C(\C#N)/C(=O)NC3CC3 1 2.273 3 1 -12.7102412711171 1529752 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-] 1 2.482 3 5 0 -7.47344032974718 1529744 COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 1.741 3 4 0 -7.11430476235748 1529576 COC1=CC=C(C=C1)CCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.864 1 4 -14.1432606666625 1529542 COC1=CC(=CC(=C1)C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)OC 1 4.65 1 3 -14.2253469715115 1529409 CC(C)CC(=O)N1CCN(CC1)CC2=CC(=C(C(=C2)OC)OC)OC 1 2.446 2 4 -9.87106580943127 1529215 C1CN(CCN1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 0.154 2 4 0 -18.3101814111841 1529015 CCOC(=O)C1=C(SC=C1C2=CC=C(S2)C)NC(=O)C3=CC=CS3 1 4.176 1 3 -8.23028242413983 1528940 CC1=CC2=C(C=C1)N(C3=NC4=CC=CC=C4N=C23)CCCN5C(=O)C6=CC=CC=C6C5=O 1 4.85 4 2 -3.12848451417506 1528922 C1=CSC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)O 1 4.084 3 2 -11.0067536179867 1528875 C1CN(CCN1CC2=CC=C(C=C2)Cl)N=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 4.327 4 2 5.16298911763279 1528742 CC1=CSC(=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)N1CC4=CC=CC=C4 1 3.029 4 1 -14.7083432813298 1528721 CC(=O)N=C1N(C(=CS1)C2=CC=CC=C2)C3=CC(=CC=C3)O 1 3.129 2 2 -3.44864567984445 1528719 CCOC(=O)CC1=CSC(=N1)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.5 4 3 0 -15.4435241905395 1528686 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=CS3)CC(=O)OC 1 1.151 4 3 0 -14.6617898457485 1528685 COC(=O)CC1=CSC(=N1)NC2=CC=CC=C2 1 2.058 2 2 -2.75435869229128 1528683 CCN1/C(=C/C(=O)OC)/CSC1=NC2=CC=C(C=C2)Cl 1 3.47 2 2 -0.395157196568131 1528681 COC(=O)/C=C/1\CSC(=NC2=CC=CC=C2)N1CC=C 1 3.074 2 2 -7.73954363853141 1528671 COC1=CC=C(C=C1)N=C2N(C(=O)CS2)CC3=CC=CC=C3 1 3.655 2 2 -5.02398798784542 1528353 COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=NC3=NC=CS3)S2)CC=C)O 1 3.34 3 3 -7.27121840029565 1528148 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.967 2 5 0 -23.1823495290509 1528147 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.698 5 1 -15.7285364374237 1528143 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.678 3 4 0 -17.414503018092 1528138 CC1=C(C=C(C=C1)C(=O)N2C(=CC(=N2)C)C)S(=O)(=O)N3CCCCC3 1 2.876 3 3 -19.5281124317808 1528132 CC1=NC2=C(C=CC=C2S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C=C1 1 1.879 4 3 0 -15.2388544740431 1528130 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.451 3 3 -15.1018517824742 1528128 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.656 3 3 -14.2673372408179 1528124 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.96 2 5 0 -21.5580071118669 1528117 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.907 3 3 -15.4563202966422 1528090 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl)/C#N 1 4.548 4 3 0 -19.2512482499663 1527596 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/C#N 1 4.172 2 5 0 -11.1763259288243 1527415 CC(C)OC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)SC(F)F)/C#N 1 5.287 1 3 -9.00712675288519 1527403 CC1=NN(C(=C1)NC(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F)/C#N)C4=CC=CC=C4 1 5.702 4 2 -6.53834446553238 1527371 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4Cl)/C#N 1 3.883 4 3 0 -19.2111372844762 1527368 C1=CC=C(C(=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=NC4=CC=CC=C4S3)Cl 1 5.416 3 2 -5.34351291913717 1527277 CC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)SC(F)F 1 5.306 2 1 -7.68678408635025 1527243 C1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 4.684 2 3 -2.25994163866573 1527239 COC1=C(C=C2C(=C1)CCN=C2C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl)OC 1 6.07 1 3 1.15641099139051 1527238 COC1=C(C=C2C(=C1)CCN=C2C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl)OC 1 6.07 1 3 3.09155820277534 1527237 COC1=C(C=C2C(=C1)CCN=C2C3=CC=C(O3)C4=CC=CC=C4Cl)OC 1 5.405 1 3 1.19545030569395 1527154 CNC(=O)/C=C/C1=CC(=CC=C1)C(F)(F)F 1 2.448 1 1 0.184469879165722 1527038 CC1=CC2=C(C=C1)OC(=O)N2CC(=O)OCCC(C)C 1 3.319 1 4 -5.75897487564464 1527023 CCCN1C2=CC=CC=C2NC1=O 1 1.771 2 1 0 -5.18064193620581 1526900 C1=CC(=CC(=C1)F)N2C(=CC(=O)NC2=O)N 1 0.756 3 2 0 -4.17329922509753 1526812 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=CS3)/C#N 1 1.967 4 2 0 -24.2813884014132 1526850 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=CC=C3)/C#N 1 2.014 4 2 -22.3883467871345 1355312 C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=NC=C(C=C3)Br 1 3.351 5 1 -8.2411305328098 1355283 CC(CC(=O)C1=CC=CS1)CC(=O)C2=CC=CS2 1 3.804 0 2 -5.03418374926704 1355281 CCOC(=O)C1=C(NC(=C(C1C2=NC3=CC=CC=C3N2)C(=O)OCC)C)C 1 2.281 3 4 0 -18.2738568294026 1355237 COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)O)OC 1 1.979 1 6 0 -19.2086261380675 1355216 COC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O 1 4.102 2 5 0 -17.3212317397033 1355127 COC1=CC(=C(C=C1)C(=O)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OC 1 3.097 1 7 0 -5.35263169044901 1354923 C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)Br)Br 1 4.551 2 1 2.92798523732578 1354922 COC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)OC 1 3.505 2 3 2.0834537146757 1354855 C=CCN1C(=O)CSC1=NC2=CC=C(C=C2)C(=O)O 1 2.334 2 3 -12.8687865177356 1354790 CCOC1=C(C=C(C=C1)C(=O)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OCC 1 3.795 1 7 0 -12.1151290386078 1354752 CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)OC 1 3.109 3 4 0 -18.6731557513842 1354718 C1=CC(=C(C=C1[N+](=O)[O-])Br)C2=CC=C(O2)C=NN3C=NN=C3 1 2.892 5 3 0 0.773289900307771 1354692 COC1=C(C=CC(=C1)C=NNC(=S)N)OCC(=O)N2CCOCC2 1 0.72 4 4 0 -16.530731546214 1354648 C1CCC(=NNC(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3)C1 1 3.161 3 3 -14.6079996926926 1354623 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.485 2 4 -13.973582620722 1354604 CC1=C(C(=CC=C1)NC(=O)C2=CC(=CC=C2)OC(=S)N3CCOCC3)C 1 4.667 2 3 -10.6619441617405 1354582 CC1=CC=C(C=C1)C(=O)N2CCN(C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.191 3 5 0 -19.450281135525 1354533 C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 2.005 3 3 -7.4064555548434 1354484 C1COCCN1C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC=CC4=CC=CC=C43 1 4.603 2 3 -11.1641703779767 1354480 CC1=CC(=C(N1C)C)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br 1 2.985 3 3 -2.41717025132134 1354479 CC1=CC(=C(N1C)C)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br 1 2.985 3 3 -2.41717025132134 1354379 CCOC1=CC=CC=C1N(CC(=O)NC2CCCCC2)S(=O)(=O)C 1 2.197 2 4 -19.4558791076203 1354373 CC1(OCCO1)CC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O 1 1.665 2 6 0 -7.748315062115 1354369 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)N=CC=C4 1 2.241 3 4 0 -12.1027059776634 1354291 C1COCCN1C(=S)OC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)Cl 1 4.359 2 3 -9.51274740365772 1354245 C1COCCN(CCOCCN1CC(=O)N)CC(=O)N 1 -2.277 4 4 0 -6.32556004071635 1354104 CC1=CC=CC=C1C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C3=CC=CC=C3C 1 4.001 2 4 -9.96188951806146 1354095 CC1=C(C2=C(C(=C(C=C2O1)Br)O)Br)C(=O)C3=CC=CC=C3 1 4.938 0 3 1.0971217437096 1354089 COC1=CC=CC=C1N2CCN(CC2)N=CC3=CC(=C(C(=C3)OC)OC)OC 1 3.127 3 4 0 -1.04645618078598 1354069 C1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=CC=C3Cl 1 4.213 1 3 -4.29488716982621 1354038 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)OC 1 3.741 1 5 -16.9624384482141 1354036 C1=CC(=CC(=C1)Cl)C2=CC=C(O2)/C=C\3/C(=O)OC(=N3)C4=CC=CS4 1 5.135 1 3 -1.50623374331611 1354022 C1CN(CN1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.513 2 4 0 -14.8695922599581 1353980 CCC1(CC2=CC=CC=C2C3=NC4=CC=CC=C4C(=O)N31)CC 1 4.404 2 1 -5.45911905193964 1353958 COC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=CC=C3Br 1 4.281 1 4 -3.14663815577773 1353956 C1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC(=C5)C(F)(F)F 1 5.04 6 1 0 -14.3791214781017 1353952 COC1=C(C=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=C3OC)OC 1 3.144 3 3 -1.65632655514064 1353888 C1=CC=C(C(=C1)C2=CC=C(O2)/C=C\3/C(=O)OC(=N3)C4=CC=CS4)Cl 1 5.135 1 3 -3.54439878577574 1353745 CC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=CC=C3Cl 1 4.7 1 3 -3.6519577564986 1353659 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 3.569 2 3 -2.86093004427693 1353686 CC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=C(C=C3)F 1 4.241 1 3 -2.69500664136251 1353675 C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=C3 1 2.849 3 3 -12.1888297488546 1353634 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=CO4 1 4.318 4 2 -14.031041550432 1353615 CSC1=CC=C(C=C1)C=NNC(=O)COC2=C(C=C(C=C2)Cl)Br 1 4.473 2 2 0.563955285576694 1353607 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.367 6 2 0 -1.42842020182822 1353592 C1=CC=NC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.049 4 5 0 -9.66489786216317 1353582 CCN1C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC(=C(C=C3)OC)OC 1 3.656 4 3 0 -15.3308515560474 1353574 C1CN(N=C1NC(=S)NC2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F 1 5.043 4 0 -0.332899716838195 1353554 CCOC1=C(C=CC(=C1)C=NNC(=O)COC2=CC=CC=C2C)OC(=O)C3=CC=CS3 1 4.722 2 5 0 -14.1126598646946 1353538 CC(=O)OC1=C(C=C(C=C1OC)C=NN2CCN(CC2)C3=CC=CC=C3OC)OC 1 2.911 3 5 0 -2.40142092939706 1353457 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)Br 1 2.586 2 4 -21.5671586801587 1353275 CC(C)OC(=O)C1=C(C(=C(C(=C1F)F)N2CCOCC2)F)F 1 3.083 1 3 -7.62976003259018 1353264 COC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OC)NC(=O)C3=CC=CS3 1 3.273 2 4 -9.43559514664922 1353257 C1CCCC(=NNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CCC1 1 3.76 4 5 0 -20.6868178762733 1353238 CN1C2=C3C(=C(C=C2)Br)C(=O)C4=CC=CC=C4C3=C(C1=O)N 1 2.062 2 2 3.11949240574093 1353215 COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=CC=C3 1 2.597 2 6 0 -6.63703512430825 1353136 CC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=CC=C3F 1 4.241 1 3 -4.84472905882407 1353096 CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C2=CC=CC=C2C(=O)O 1 3.885 1 5 -10.205235073413 1352951 CC1=CC=CC(=C1)C(=O)NN=CC2=CC=C(C=C2)OCC(=O)N3CCCCC3 1 3.336 3 3 -11.2153313070872 1352925 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3OC4=CC=CC=C4 1 4.433 2 2 -1.72788875671377 1352893 C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)Cl 1 4.017 2 2 -7.79501059151482 1352889 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 0.778 6 4 0 -20.2750584978771 1352883 COC1=CC=CC(=C1)CN2CCN(CC2)CC3=CC=CC=C3C(F)(F)F 1 4.37 2 1 4.34157651026655 1352834 CC1=CC=CC=C1C(=O)NN=CC2=CC=C(C=C2)OCC(=O)N3CCCCC3 1 3.336 3 3 -13.954223941448 1352800 C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.681 2 5 0 -13.1334732788926 1352798 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C3=CC=CS3 1 3.336 2 3 -11.1868026012281 1352741 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.124 2 6 0 -9.96581385930084 1352716 C1=CC(=CC=C1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)F)C(=O)O 1 3.961 2 4 -11.0081110466116 1352703 CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)C2=CC=C(C=C2)OC3=CC=CC=C3 1 3.393 3 4 0 -13.794876656409 1352675 CC(=NNC(=O)C1=CC(=C(C=C1)Cl)Cl)CN2N=C(N=N2)[N+](=O)[O-] 1 2.305 7 3 0 -8.37097732523474 1352664 CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)C 1 6.017 1 1 -9.77597479427225 1352622 COC(=O)C1=CC=C(C=C1)CN(C2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 3.351 2 4 -11.70293083172 1352598 CCOC(=O)C1=C(N(C2=C1C3=NO[N+](=C3C=C2)[O-])OCC4=CC=CC=C4)C 1 -1.287 3 5 0 -0.305108452358426 1352587 CCOC(=O)C1=C(N(C2=C1C3=NON=C3C=C2)OCC4=CC=CC=C4)C 1 1.403 3 4 0 -1.7054976879428 1352540 CS(=O)(=O)N(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C2=CC=CC=C2 1 2.912 2 3 -10.8016893643165 1352473 C1=CC=C(C=C1)/C=C/C=C(\C(=O)NCC2=CC=CO2)/NC(=O)C3=CC=CC=C3Br 1 3.976 2 3 -13.2193598255739 1352451 C1=CC(=CC(=C1)C(F)(F)F)/C=C/C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 4.967 1 1 1.14616210348591 1352404 C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)/C(=C/C=C/C4=CC=CC=C4[N+](=O)[O-])/C#N 1 4.594 3 4 0 -6.33937732949201 1352395 C1=CC(=CC(=C1)O)NC(=O)C2=CC=C(C=C2)Br 1 3.121 1 2 -1.1475376104421 1352388 COC1=CC(=C(C(=C1)C=NNS(=O)(=O)C2=CC=CC=C2)OC)OC 1 2.337 2 5 0 -4.09935238933358 1352370 C1=CC=C(C=C1)/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/NC(=O)C3=CC=C(C=C3)Br 1 3.949 2 4 -15.9111751045987 1352319 COC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CCC(=O)NNC(=O)C3=CC(=CC=C3)Cl 1 2.937 3 5 0 -10.7136567052551 1352303 C1C(=O)N(C(=NC(=O)C2=CC=CC=C2)S1)C3=CC=CC=C3Cl 1 4.201 2 2 -10.9996402172204 1352277 COC1=CC=C(C=C1)C=NN2C(=O)CSC2=S 1 2.779 2 2 -5.63307058526251 1352258 COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.665 2 6 0 -16.7339823402835 1352196 C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NC3=CC=C(C=C3)C(=O)O)/NC(=O)C4=CC=CC=C4 1 2.969 2 6 0 -18.770832836785 1352187 CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=CC=C2)Br)/NC(=O)C3=CC=CO3 1 4.201 2 3 -11.7629950811262 1352158 C1=CC(=CC=C1/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-] 1 3.844 3 6 0 -17.8336290748715 1352154 CC1=CC(=NC=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC(=CC=C3)Br 1 3.956 4 0 -3.71844547482197 1352104 COC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CCC(=O)NNC(=O)C3=CC=CC=C3Cl 1 2.937 3 5 0 -14.2105680901831 1352103 C1=CC=C(C=C1)/C=C/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/NC(=O)C3=CC=CC=C3Br 1 4.417 2 4 -10.5073338087455 1352093 C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)/C(=C/C=C/C4=CC=CC=C4)/C#N 1 4.7 2 2 -4.28499039603724 1352042 COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2CCCCC2)OCC3=CC=C(C=C3)C(=O)O 1 4.383 2 5 0 -18.0932491013891 1352026 COC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F)OC 1 4.054 2 3 8.57050062815313 1352009 COC1=C(C=C(C(=C1)CC2=CC(=C(C=C2CC(=O)OC)OC)OC)CC(=O)OC)OC 1 3.519 0 8 0 -7.4940528923726 1352002 C1=CC=C(C=C1)CC(=O)NC(C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CC3=CC=CC=C3 1 3.642 3 4 0 -10.0540884182997 1351925 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl 1 4.609 4 4 0 -14.5589819576474 1351862 COC1=CC=C(C=C1)OC(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.657 1 4 -7.32554300532226 1351834 C1CN(CCN1CC2=CC=CC=C2)N=C/C(=C/C3=CC=CC=C3)/Br 1 3.917 3 0 -0.846690757561197 1351746 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=CC=N4 1 4.094 4 1 -4.02102292806438 1351643 CC(C)(C)C1=NN=C(N(C1=O)N=CC2=CC(=C(C=C2)OC)OC)SC 1 3.916 4 3 0 -8.53478358243005 1351606 COC1=CC(=C(C=C1)OC)C=NN2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.824 3 2 4.66975646066301 1351603 COC1=CC=CC(=C1OC)C=NN2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.824 3 2 4.66851142990542 1351586 CC(C)(C)C1=NN(C(=C1)C(=O)NN=CC2=CC=C(C=C2)F)C3=CC=CC=C3 1 5.235 4 1 -2.98589789993028 1351583 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])/C=C/C(=O)O 1 5.2 3 5 0 13.0958131081351 1351487 CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])/C=C/C2=CC3=C(C=C2)OCO3 1 2.784 3 5 0 -9.50477886587893 1351419 COC1=CC(=CC(=C1OC)OC)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.184 1 4 -15.0560744665661 1351403 COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCC3=CC=CO3 1 1.817 1 5 0 -16.481250896797 1351387 CC1=CC(=NN1)C(=O)NN=CC2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl 1 4.235 4 2 -5.15442765656014 1351379 COC(=O)C1=CC=C(C=C1)C=NN2CCN(CC2)CC3=CC=CC=C3Cl 1 3.624 3 2 -0.631811063230718 1351262 C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl 1 4.484 1 2 2.85759772528899 1351222 C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)CCN5C(=O)C6=CC=CC=C6C5=O 1 3.217 3 3 -10.7538924294378 1351212 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.431 3 4 0 -2.00260156437002 1351137 CCOC1=CC=CC=C1N(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.304 1 4 -6.83872930328237 1350963 CC1=CC=C(C=C1)NCC(=O)NN=C(C)C2=CC=C(S2)Br 1 3.331 3 1 -9.62313924372023 1350941 C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O 1 2.853 2 5 0 -13.5913478273093 1350909 CN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CS4 1 2.29 5 2 0 -8.05433053138363 1350847 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O 1 2.963 2 4 -14.4183733260319 1350803 CCN(CC)C(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3F 1 3.282 4 2 -13.1567575673171 1350777 CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)NC(=O)C 1 2.83 3 4 0 -15.6162219496612 1350746 C1=CC=C2C=C(C=CC2=C1)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 5.429 1 2 2.79027739760322 1350739 CCCN(CCC)C(=O)C1=C(SC2=C1CCCCC2)NC(=O)CC 1 4.402 2 2 -17.0314263285684 1350714 CCN(CC)C(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC=CS3 1 3.03 4 2 -12.4864445978693 1350702 CN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl 1 3.001 5 2 0 -7.53187219850595 1350585 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C(\C#N)/C(=O)NC4=CC=CC=C4 1 3.856 3 3 -14.7014754689282 1350575 COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)OC 1 2.254 2 7 0 -14.5645664935187 1350539 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4 1 5.094 2 0 -3.07751657629167 1350527 CC(C)(C)NC(=O)NC1=CC2=NC=CN=C2C=C1 1 1.341 4 1 0 -7.86026700251928 1350513 CC1(CC(=O)C(=CNCC2CCN(CC2)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)C1)C 1 3.019 3 3 -13.4234452629924 1350510 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O 1 2.963 2 4 -13.3935088501597 1350400 CC1=CC=C(O1)C2=NN(C=C2/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5 1 4.748 4 2 7.37356864596236 1350359 C1COCCN1C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)CC4=CC=CC=C4 1 2.102 4 3 0 -12.9602236792334 1350312 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.51 4 3 0 -22.7354656060809 1350310 CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.51 4 3 0 -22.7354656060809 1350290 CC(C)(C#CC1=CC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)O 1 2.216 2 4 -13.43897023426 1350270 COC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=S)S2)OCC3=CC=CC=C3 1 4.392 1 3 -2.0620101348273 1350267 C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br 1 4.141 3 3 -12.7574978493364 1350243 C1=CC=C(C=C1)C(=NOC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC=N3 1 4.639 3 2 1.3547439798492 1350156 CC1=CC=CC=C1C(=O)NC(C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3C 1 4.544 3 4 0 -12.0200498460548 1350147 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)O 1 4.176 2 3 -10.6184144862259 1350142 COC1=CC(=CC(=C1)/C=C\2/C(=O)N=C(S2)N)OC 1 1.964 2 3 0 -5.14603315687214 1350132 CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)/C=C/C(=O)O)C 1 2.985 1 5 -8.62150562931696 1350061 CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)NC(=O)CCCC(=O)O 1 1.853 3 6 0 -21.3589613115671 1350038 CC1(CC2=C(C(=NC(=C2CO1)N3CCOCC3)SCC(=O)C4=CC=CC=C4)C#N)C 1 3.745 3 3 -17.3619982824344 1349987 CN1C2=CC=CC=C2N=C1C=NNC(=O)C3=CC=CC=C3Br 1 3.559 4 1 0.604911029620373 1349958 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC 1 4.295 2 5 0 -3.1523571745716 1349907 CN1C=CNC1=S 1 0.414 2 0 0 -3.0732912797567 1349870 CC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CCCC4 1 4.21 4 1 -10.9200802665199 1349858 COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)OC)OC 1 4.852 2 6 0 -6.1976857531072 1349857 CC1=CC(=NN1C2=C(C(=C(C(=C2F)F)COC(=O)C3=CC=CC=C3)F)F)C 1 4.745 2 2 -6.89112013129738 1349809 C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Br)N4N=C5C=CC=CC5=N4 1 5.946 5 0 8.58938426246287 1349808 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)OC(=O)C 1 4.338 2 7 0 -7.78432320972877 1349705 CCN(CC)C1=CC=C(C=C1)NC(=O)/C=C/C2=C(C=CC(=C2)Br)OC 1 4.674 2 2 -6.60452836753512 1349698 CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C\3/C(=O)NN(C3=O)C4=CC=C(C=C4)F 1 1.6 4 3 0 -2.87805388044754 1349684 C1=CC=C(C(=C1)CSCC(=O)NN=CC2=CC=CC=C2C(=O)O)Br 1 3.462 2 3 -9.47736523527558 1349648 CC1=CC(=C(N1C)C)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br 1 2.985 3 3 -0.701270322937219 1349637 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.176 2 4 -18.4420534042635 1349589 CC1=CC(NC2=C1C=C(C=C2)OC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)(C)C 1 3.453 2 4 -13.6060101562399 1349549 COC1=CC=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC 1 2.898 1 8 0 -11.398307683389 1349523 CCOC(=O)C1=CC=C(C=C1)N2C(=CC=C2C3=CC=CC=C3)CCC(=O)O 1 4.711 1 4 -7.76772714484586 1349496 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=C\3/C(=O)NC(=O)N(C3=O)CC4=CC=CO4 1 2.632 3 6 0 -9.13052763664408 1349495 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CO4 1 2.632 3 6 0 -9.13052763664408 1349447 CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3C(=O)O 1 4.825 2 4 -16.8751282046484 1349446 CCC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3C(=O)O 1 4.825 2 4 -16.8751282046484 1349330 CC1=CC(=C(N1C2=CC(=C(C=C2)C(=O)O)Cl)C)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)F 1 4.313 3 5 0 -2.30340132238149 1349228 CC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3 1 4.872 3 3 -11.3280563662791 1349211 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.316 2 3 -7.28590518509415 1349209 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=N3)OC 1 3.287 3 4 0 -16.8968092723041 1349192 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CS3 1 4.504 3 2 -12.3546096846158 1349138 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)C6=CC=CC=C6 1 3.549 7 1 0 -8.51744132306148 1349116 COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3 1 3.884 2 4 6.01861540345594 1349072 CC1=CC(=C(C=C1)O)C2=CC3=CC=CC=C3N2 1 4.177 1 1 12.46540505468 1349070 CC1=C(C(=NC(=S)N1CC2=CC=CC=C2)N3CCN(CC3)C)C(=O)C 1 2.829 4 1 -2.54234763027518 1348924 CCC(=O)NC1=C(C2=NC3=CC=CC=C3N=C2N1CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5 1 5.019 4 3 0 -16.951876146136 1348883 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3 1 3.156 3 5 0 -9.03163214839647 1348878 CC1=CC(=C(N1C2=CC=C(C=C2)O)C)/C=C\3/C(=O)N(C(=O)S3)C 1 3.073 2 3 -2.3589692580564 1348872 CC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3Cl 1 5.536 3 3 -10.7774828884406 1348860 CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)Br 1 4.254 2 2 -10.2345383561995 1348809 CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2)C3=CC4=CC=CC=C4OC3=O 1 5.8 2 3 -7.71339616898921 1348802 C1COCCN1C(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3 1 2.419 2 4 -12.6847051050704 1348714 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)OC 1 4.576 1 3 -5.93760362549916 1348667 CC(=O)NC1=C(C2=NC3=CC=CC=C3N=C2N1CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5 1 4.352 4 3 0 -16.979730147907 1348646 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3 1 4.504 3 2 -12.4297889956953 1348641 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C\3/C(=O)NC(=O)S3 1 3.093 2 3 2.54182263344585 1348626 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC=CS4 1 5.656 3 2 -0.134053971045462 1348408 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 3.453 2 5 0 -4.33388918885359 1348398 C1=CC(=CC(=C1)Cl)C2=CC=C(O2)/C=C\3/C(=O)N(C(=N)S3)C4=NC=CS4 1 4.646 3 2 3.67179959216699 1348373 C1=CC=C(C=C1)/C(=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)/C#N 1 4.852 1 3 -9.37037862695545 1348354 C1OC2=C(O1)C=C(C=C2)N3C(=NN=N3)SCC4=C(C=C(C=C4)Cl)Cl 1 4.48 4 2 -14.633430811549 1348333 COC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC 1 3.039 3 3 -10.2954946647251 1348329 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=O)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.451 2 5 0 -4.73559909613311 1348328 C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=O)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.451 2 5 0 -4.73559909613311 1348303 C1OC2=C(O1)C=C(C=C2)N3C(=O)/C(=C\C4=CC=C(O4)C5=CC=CC=C5C(=O)O)/C(=O)NC3=O 1 3.249 2 8 0 -2.68964685975327 1348256 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)C(=O)O 1 2.882 2 5 0 -2.00899654653082 1348255 C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)C(=O)O 1 2.882 2 5 0 -2.00899654653082 1348243 CC(C)OC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)Br)F 1 4.278 1 2 -5.64416687807916 1348179 C1=CC(=CC(=C1)OC(F)(F)F)NC(=O)C2=CC=C(O2)Br 1 4.697 1 3 -2.22929883481659 1348125 CN1C2=C(N=C1SCC3=CC4=C(C=C3Cl)OCO4)N(C(=O)N(C2=O)C)C 1 2.999 4 4 0 -12.1979799825625 1348100 CCOC1=C(C(=CC(=C1)C=NNC(=O)N)Br)OCC2=CC=CC=C2F 1 3.662 3 3 -8.0948977293092 1348075 COC(=O)NN=CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2 1 3.977 2 3 -2.72021740560429 1347969 C1=CC(=C(C=C1Cl)Cl)COC2=C(C=C(C=C2C=NN3C(=NN=N3)N)Cl)Cl 1 4.805 6 1 0 0.583204206308028 1347928 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)Cl 1 4.584 2 2 -6.07292711468276 1347918 COC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C=NN4C=NN=C4 1 3.16 5 2 0 -3.22406532420737 1347913 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C4=CC=CO4)C5=CC=CC=C5 1 4.022 4 2 -3.42437001754659 1347824 CC1=C(C(=NN1)C)N2C(=O)C3=C4C(=C(C=C3)N5CCCCCC5)C=CC=C4C2=O 1 3.755 4 2 -1.16583681147957 1347804 CC1(CC(CC(N1)(C)C)NC(=O)COC2=C(C=C(C=C2)Br)Cl)C 1 3.026 2 2 -10.9789595902322 1347759 CC1=C(C=CC2=C1OC(=O)C3=C2C=CC(=C3)OC)OCC4=C(OC(=C4)C(=O)O)C 1 4.157 0 7 0 -5.05986636267898 1347758 CC1=CC=C(O1)/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F 1 2.721 2 4 -1.35421503023444 1347756 C1=CC=[N+](C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.809 4 2 -2.5838507645706 1347729 C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)N=CC5=CC=CC=C5C(=O)O 1 1 3 2 0 -2.12283572012742 1347723 CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=C(C=C2)Cl)N3CCOCC3 1 2.848 2 3 -6.22886507672683 1347716 CC1=CC(=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)N3CCOCC3)C 1 2.669 2 3 -5.93840453508998 1347715 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=O)S2)CCCC(=O)NC3=CC=C(C=C3)O 1 3.579 2 4 -0.890397268253894 1347700 CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)N3CCN(CC3)C 1 2.602 3 3 -9.23421790196602 1347643 COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC3=CC=CC=C32 1 2.679 1 5 -13.3278222646072 1347641 C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=CC=C2)SC3=CC=CC=C3 1 5.232 1 2 -4.38669548985548 1347617 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC=CC=C2C(=O)O 1 2.531 1 6 0 -5.95525603402744 1347560 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.196 1 6 0 -9.30140074470185 1347532 CCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC4=CC=C(O4)C(=O)O 1 5.447 0 6 -4.31618568802281 1347485 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CC=CS4 1 2.974 2 3 -4.26712141622836 1347479 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCCC3=CC=CC=C32 1 3.638 1 4 -12.1463037717144 1347475 C1CC1C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)C4=CC=CS4 1 5.407 2 1 -13.2586472385035 1347460 CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C=NN3C=NN=C3 1 2.244 4 4 0 -3.56631156007661 1347412 COC1=CC=C(C=C1)C2=C(N=C(S2)NC(=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-] 1 5.23 3 5 0 -2.12688298213752 1347368 C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CS3)Cl 1 5.168 3 2 -11.8040362067773 1347335 C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CCC(=O)NC3=CC=C(C=C3)C(=O)O 1 3.76 1 5 -5.22906836996914 1347304 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)Br 1 3.65 1 3 -6.26506635917489 1347240 CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NC(=S)NC(=O)C4=CC=CS4 1 6.628 3 2 1.81575800380562 1347165 CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=O)N(C(=S)N(C3=O)C)C 1 3.624 3 2 -6.62412982275507 1347156 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)Cl 1 4.052 2 2 -6.87872761328584 1347121 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.946 3 3 -11.0035002263615 1347088 CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.904 4 4 0 -18.7633701347003 1347077 CNC(=O)C1=CC=C(O1)C2=C(C3=C4CCCCC4=C(N=C3S2)N5CCOCC5)N 1 3.6 4 3 0 -9.66143458524891 1347073 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl 1 5.99 2 2 -5.16857068615893 1347022 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.84 3 4 0 -12.4544749018275 1347015 COC1=CC(=C(C=C1)OC)C=NN=C2N(C(=O)CS2)CC3=CC=CO3 1 2.889 3 4 0 -10.77833231189 1346944 CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)SC3=CC=CC=C3C(=O)O 1 4.701 1 4 -7.65348916902425 1346972 C1CN(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.611 3 7 0 -22.8462471577883 1346953 COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC3=CC=CC=C3C2 1 2.686 1 5 -13.4435212072389 1346910 COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC3=CC=CC=C3C2)OC 1 2.669 1 6 0 -13.1689124756026 1346881 C1COCCN1C(=NS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3 1 3.092 2 3 -8.48117238933761 1346866 C1CCC(=C2C(=O)N(C(=S)S2)CC3=CC=CO3)CC1 1 4.223 1 2 -6.70235282248091 1346792 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CN=CC=C3 1 3.588 3 2 -13.7213019492982 1346808 COC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 2.329 2 6 0 -12.4377108833319 1346850 CN1C=CC=C1C=NN2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl 1 4.667 5 0 -3.6941538803576 1346847 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)O 1 4.497 2 3 -11.2446836970133 1346846 CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)O 1 4.497 2 3 -11.2446836970133 1346843 C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F 1 4.85 2 2 5.54238122723019 1346837 COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])OC 1 2.414 3 7 0 -8.50595225038091 1346745 CC1=CC(=C(C=C1)O)NC(=S)NC(=O)COC2=CC=C(C=C2)Br 1 4.594 2 3 -2.61912310346931 1346721 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC(=C3)C(=O)O 1 4.369 2 4 -15.0302802295539 1346717 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-] 1 2.915 3 5 0 -4.4338773599317 1346695 C1=CC(=CC=C1CCNC(=O)CC2=CC=C(C=C2)Cl)S(=O)(=O)N 1 2.347 2 3 -12.2934317103537 1346656 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.676 3 2 -10.9845365579962 1346655 CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.676 3 2 -10.9845365579962 1346651 CCOC(=O)CC1=CSC(=N1)NC(=O)CC2=CC=C(C=C2)Br 1 3.062 2 3 -9.94190903181027 1346631 C1CCN(C1)C(=O)CCCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S 1 4.007 2 2 -11.5131667996037 1346615 C1=CC=C(C(=C1)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 1.577 3 5 0 -18.4472199355205 1346613 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CC4=CC=CC=C4 1 5.58 2 0 -1.96967020946383 1346587 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3 1 3.996 4 4 0 -10.699017008912 1346584 COC1=C(C=C(C(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC 1 2.251 2 7 0 -14.5117328862767 1346577 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)Br)C 1 4.629 2 1 0.118582640996597 1346546 C1=COC(=C1)/C=C/C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 4.765 3 2 0.709474173070354 1346544 CC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N3C4=C(C=C(C=C4)C)C(=CC3(C)C)C 1 5.277 3 2 -11.0839336942577 1346506 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 4.913 4 4 0 -12.7043653091775 1346523 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2 1 5.655 3 3 -8.99653962905305 1346520 C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3Cl 1 5.05 3 3 -11.4341298974218 1346516 CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NC(=S)NC(=O)/C=C/C4=CC=CO4 1 6.538 3 3 4.34863123584396 1346496 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CN=CC=C3)Cl 1 3.766 3 2 -11.3656151725758 1346476 CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.642 2 5 0 -11.0603459995836 1346464 CC1=CC=CC=C1NC(=O)/C=C\2/C(=O)NC(=O)S2 1 1.694 2 3 0 -1.67393210708943 1346454 CCOC(=O)CC1=CSC(=N1)NS(=O)(=O)C2=CC=C(C=C2)Br 1 2.73 2 4 -8.22564131298956 1346427 C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)O 1 5.393 2 3 2.95700099349699 1346356 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.933 3 5 0 -4.43975194705562 1346324 C1COCCN1C(=O)CCCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S 1 3.234 2 3 -13.4359317635474 1346300 CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.882 3 2 -6.22803823134339 1346286 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=N3)Cl 1 3.984 3 2 -9.98038996065788 1346278 COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)OC 1 3.913 3 5 0 -12.8934188854429 1346216 C1CN(CCN1CC2=C(C=C(C=C2)Cl)Cl)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 3.245 3 3 -4.95234975401105 1346212 CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3 1 4.721 3 2 -9.50045790081618 1346193 C1=CC=NC(=C1)NC(=S)NC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl 1 4.951 3 1 -0.467689687907486 1346182 C1COCCN1C(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S 1 2.913 2 3 -14.1084263378019 1346161 CN(C)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 5.06 3 1 -6.45799066897684 1346153 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N3CCCC3 1 3.508 2 2 -14.6387423771055 1346078 C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)/C=C/C4=CC=CO4 1 6.302 3 2 2.24238944151758 1346070 C1CN(CCN1C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)C4=CC(=CC=C4)Br 1 2.455 3 3 -4.73467804424301 1346066 C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4 1 5.251 3 2 1.12613468945916 1346051 COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3 1 4.373 3 2 -8.87389281187499 1346017 CC1=CC(=C(C=C1C)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 6.366 2 3 1.43018568029428 1346013 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C4=CC=CC=C43)C 1 3.958 3 3 -10.9272657643396 1345979 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2Cl 1 2.442 2 4 -9.14335725224412 1345954 CC1=CC(=CC=C1)N2CCN(CC2)C3=NC(=O)C(=C4CCCCC4)S3 1 4.935 3 1 1.06786939828163e-003 1345950 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C 1 3.977 3 4 0 -13.0091365857065 1345918 CCN1C(=C(C(=NC1=S)N2CCN(CC2)C3=CC=CC=C3)C(=O)C)C 1 3.266 4 1 -3.10325662619329 1345914 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=CN2C3=CC=C(C=C3)Cl 1 4.704 3 2 3.12119615680115 1345904 COC1=C(C(=CC(=C1)C=NNC(=S)N)Br)OCC2=CC=CC=C2F 1 4.304 3 2 -4.78661904337927 1345840 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)O)CC3=CC4=C(C=C3Cl)OCO4 1 2.481 4 6 0 -21.160373338223 1345801 CC1=C(C=CC(=C1)Br)N2C(=O)CC(=O)NC2=O 1 1.969 2 3 0 -6.26559283383928 1345756 CC1(OCCO1)CC(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F 1 2.977 2 4 -1.08880487060735 1345739 CC1=C(C(C(=C(N1)C)C(=O)C)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)C 1 3.748 3 2 -8.13370217944498 1345688 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=NOC(=C3)C 1 3.877 3 3 -22.4963695971531 1345642 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5 1 4.348 5 2 0 -3.21217783367076 1345628 COC1=CC=C(C=C1)/C=C(\C(=O)NCC2=CC=NC=C2)/NC(=O)C3=CC=CC=C3 1 2.411 3 3 -18.7475455741886 1345568 CN1C(=NN=N1)C2=CC(=C(C=C2)OC)S(=O)(=O)NCCC3=CC=CC=C3 1 1.864 5 3 0 -14.3166525855913 1345529 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NCC3=CC=NC=C3 1 2.914 3 2 -17.7108756146195 1345527 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.156 2 4 -24.4426531049499 1345525 CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)CC(CC3=O)(C)C)C4=CC=CC=C4 1 5.342 2 2 5.0745353786218 1345509 CC1(CC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)C1)C 1 5.52 2 2 6.89653406920862 1345472 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CCC2=O 1 0.254 2 5 0 -15.1816072253301 1345435 CCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)OC 1 4.203 3 3 2.42539951728491 1345434 C1=CC(=CC=C1CCNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N 1 2.206 3 5 0 -11.4383076488891 1345345 COC1=C(C=C(C=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)OC 1 1.615 2 5 0 -16.8467462588716 1345262 C1=CC=C(C=C1)CC(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 5.407 2 1 -3.07734377852778 1345254 C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Cl)Cl 1 5.412 3 2 -3.97657792096188 1345238 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=N3 1 4.127 3 2 -12.8913271776801 1345187 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=NC=CS3 1 3.736 3 2 -15.0190937850457 1345163 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3 1 4.34 3 4 0 -11.3333320042825 1345130 COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3 1 4.373 3 2 -7.85352328088285 1345107 C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CO3)Cl 1 4.143 3 3 -5.64704232549235 1345088 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] 1 2.43 3 6 0 -7.07324425167076 1345082 CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)NC4=CC=CC=C4 1 3.472 3 3 -11.0640363053915 1345068 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)/C=C/C4=CC=CO4 1 6.124 3 2 -5.37178816666808e-002 1345060 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] 1 2.933 3 5 0 -5.55614657965514 1345057 CCN1C(=C(C(=NC1=S)SC)C(=O)C)C 1 2.636 2 1 -6.5074972247805 1345052 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)N3CCOCC3 1 3.056 2 3 -15.8890127667946 1345038 COC1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4 1 3.459 2 4 -4.48995690909457 1345035 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3C(=O)O 1 4.369 2 4 -16.6356900688693 1345012 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Cl 1 5.078 3 3 -6.3628410234951 1345009 CCC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)Cl 1 3.613 3 3 -8.7523257256821 1344992 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.01 3 5 0 -13.80741382487 1344990 CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C 1 4.039 3 2 -12.9210556144098 1344941 C1CCC(C1)NC(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S 1 4.421 2 2 -13.0070734090193 1344905 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl 1 3.111 3 5 0 -4.51797677001795 1344872 C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=S)NC(=O)/C=C/C4=CC=CO4 1 5.079 3 3 4.56184421084064 1344843 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N3CCCC4=CC=CC=C43 1 5.154 2 2 -16.5352883779621 1344842 CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)N3CCCC4=CC=CC=C43 1 5.154 2 2 -16.5352883779621 1344739 C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)NC(=O)N2 1 4.041 4 2 -14.7886295758757 1344723 CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C 1 6.256 2 1 -6.89073941281679 1344722 CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)OCC 1 5.373 2 3 -6.49304433300558 1344689 CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)/C=C/C4=CC=CO4 1 5.566 3 3 6.13078486535573 1344686 C1CSC(=N1)NC(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S 1 4.084 3 2 -16.8505099001399 1344672 CCOC1=C(C=CC(=C1)/C=C\2/C(=C(N(C2=O)CC3=CC=C(C=C3)C)C)C(=O)OC)O 1 3.85 1 5 -9.55582760203293 1344657 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)C 1 3.595 3 5 0 -2.90410736280324 1344628 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 3.111 3 5 0 -4.68545698300241 1344596 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.028 3 5 0 -14.0478498758996 1344593 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)/C=C/C4=CC=CO4 1 5.566 3 3 2.39881926099288 1344581 C1COCCN1C(=O)/C=C\2/C(=O)NC(=O)S2 1 -0.475 2 4 0 -3.30526226782736 1344577 CCC(=O)NC(=S)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C 1 5.263 3 1 1.55519010625832 1344487 CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6 1 4.929 4 1 -9.44006962887128 1344480 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CN=CC=C3 1 3.267 3 2 -13.0950327385108 1344475 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=CC=C4[N+](=O)[O-] 1 2.482 3 5 0 -9.35211427250077 1344474 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3CCCC3 1 4.564 2 2 -16.086423623054 1344463 CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 4.018 3 2 -6.98662202711744 1344401 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC3=CC=CC=C3[N+](=O)[O-])C 1 3.775 3 3 -4.73392223923121 1344312 COC1=CC=C(C=C1)NC(=O)/C=C/C2=C(C=CC(=C2)Br)OC 1 3.798 1 3 -1.89404948789857 1344304 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=CC=C3)O)OC 1 3.657 2 5 0 -14.7381149725164 1344295 C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CS2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 5.833 3 2 -7.50094221567726 1344279 CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C)C4=CC=CC=C4)C(=O)OC 1 4.023 4 2 -0.685717767578179 1344267 CCC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)NC3=NC4=CC=CC=C4S3 1 5.251 3 2 -6.53865697732745 1344243 COC1=C(C=C(C=C1)Br)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 3.526 2 4 -4.9178107394913 1344218 CC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC=C2C(=O)OC 1 3.943 2 4 -13.167474403967 1344193 C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O)Cl 1 4.226 2 4 -12.6416176235183 1344153 CC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 6.201 3 3 -6.47438889734054 1344132 C1=CC=C2C(=C1)C(=CN2CC(=O)O)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br 1 3.376 3 5 0 -5.22556077896612 1344047 C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4F 1 5.457 3 2 -6.11894528222314e-002 1344039 C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl 1 5.81 3 2 -11.0723292660778 1344030 COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3 1 4.373 3 2 -8.40135523114381 1344010 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3O)OC 1 2.509 2 6 0 -8.06472844094593 1343985 CSC1=NC=C(C=N1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl 1 2.595 4 3 0 0.216276304352288 1343954 C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])Cl 1 5.577 4 4 0 -12.153791831339 1343936 C1CCC(C1)(CNC(=O)C2=CC(=CC=C2)Br)C3=CC=CC=C3 1 4.825 1 1 -15.3236218147983 1343805 C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)/C=C/C4=CC=CC=C4 1 5.743 2 1 -4.85017366183682 1343745 CC(C)CC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2)OC 1 4.84 3 4 0 -14.1579122916111 1343724 CCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Cl 1 4.674 3 2 -15.5565401707065 1343704 CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)/C=C/C4=CC=CO4)C 1 5.943 5 2 0 -8.43950349499125 1343676 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)F)O 1 2.731 2 5 0 -3.68655672208747 1343660 COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CC4=CC=CC=C4 1 5.235 3 3 1.48071635867846 1343621 CCC1(CC2=CC=CC=C2C3=C1C(=O)OC(=N3)C4=CC=CC=C4)CC 1 5.244 1 2 -6.63874953182043 1343591 COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 2.139 2 7 0 -14.1837524504706 1343581 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CN=CC=C3)Cl 1 3.445 3 2 -10.7393459617884 1343580 C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CN=CC=C3)Cl 1 3.445 3 2 -10.7393459617884 1343565 CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)/C=C/C4=CC=CO4 1 5.457 5 2 0 -7.05655862750062 1343560 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=C3C(=O)O)Cl 1 4.226 2 4 -13.7247528518471 1343548 CC1=C(C(=NC(=S)N1CC2=CC=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)F)C(=O)C 1 4.706 4 1 -1.39893492380622 1343519 C1CCN(C1)C(=O)C2CCN(CC2)CC3=CC=C(C=C3)OCC4=CC=CC=C4 1 3.817 2 2 -1.55322338476543 1343496 C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)Cl 1 3.763 3 3 1.57448219458926 1343494 C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5O 1 2.856 3 4 0 2.95275421766933 1343476 COC1=CC=CC(=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.608 3 2 3.26359231253323 1343462 C1CN(CCC1C(=O)N(CCO)CC2=CC=CC=C2)CC3=CC=C(C=C3)F 1 3.039 2 2 0.176292030636779 1343414 C1=CC=C(C(=C1)OCC(=O)NCC2=CC=NC=C2)Cl 1 1.97 2 2 0 -9.41414247785357 1343399 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 4.172 1 4 -8.19467748078852 1343254 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)OCC(=O)O 1 2.03 1 7 0 -13.2303423386748 1343233 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)OCC(=O)NC(C)C 1 2.642 3 4 0 -13.1562620394704 1343078 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)F)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 5.217 2 4 -1.36851036270913 1343048 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCOCC4)S(=O)(=O)N(C)C 1 1.26 4 5 0 -20.6809574083478 1343026 C1COCCN1C(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4 1 3.853 3 2 3.14654115151122 1343025 CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)O)C(=O)O 1 2.615 2 6 0 -14.9915550376185 1343016 CC1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br 1 3.475 1 3 -9.74701483373275 1343004 CC(=O)OCCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC=CC=C4C(=O)O3 1 2.013 2 6 0 -14.2117780608536 1342988 CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)OC(=O)C)OC(=O)C)C 1 3.44 0 6 -9.24745962759994 1342976 C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=O)NC3=CC(=CC=C3)Cl 1 3.16 3 3 -11.7468817722924 1342967 C1=CSC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 4.855 3 1 -1.70281942020581 1342930 C1CN(CCN1C2=CC=CC=C2)C(=S)NC3=CC=CC(=C3)C(F)(F)F 1 5.619 3 0 -2.3426438785596 1342894 C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 5.099 3 3 -6.95463909260195 1342835 C1=CC(=CC=C1CSCC(=O)NC2=C(C=C(C=C2)O)C(=O)O)Cl 1 3.067 1 4 -9.61366761962679 1342799 CSC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3 1 3.036 2 2 -9.74295790826691 1342795 CC(C)CC(=O)NC1=CC(=CC(=C1)C(=O)NC(C)(C)C)NC(=O)CC(C)C 1 2.959 3 3 -19.2936331266436 1342784 C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4 1 4.417 3 3 3.07425024402924 1342750 CCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C(C)(C)C 1 2.91 2 4 -15.3905048648215 1342725 C1CN(CCN1CC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)F 1 3.635 2 2 -11.2303653164435 1342718 CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C 1 4.634 3 3 -4.4929475931913 1342707 C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3 1 2.389 3 4 0 -15.4290417793625 1342671 CCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 0.197 3 6 0 -26.6352600424085 1342669 CCN(CCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)CC2=CC=CC=C2 1 3.015 3 4 0 -9.04295607139115 1342657 CCOC1=C(C=CC(=C1)/C=C\2/C(=C(N(C2=O)CCC3=CC(=C(C=C3)OC)OC)C)C(=O)OC)O 1 3.652 1 7 0 -14.1535470646607 1342622 COC1=CC=CC(=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3F 1 3.023 3 2 0.502320213257248 1342605 C1CN(CCN1CCC(=O)NC2=CC=CC=C2Cl)CC3=CC=CC=C3 1 3.409 3 1 -1.1767418599126 1342578 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NC3=C(C=C(C=C3)Br)C(=O)O 1 3.736 1 4 -4.46368997719906 1342572 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN=CC=C3 1 -0.202 4 4 0 -25.1322934587913 1342525 CC1=C(C=C(C=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=CC(=C(C=C3)C)C)C 1 4.644 2 6 0 -7.97368048538147 1342469 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.239 3 3 -6.37345134810247 1342459 CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C 1 3.967 3 3 -4.55934813694937 1342362 CC(=O)OC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 2.796 2 6 0 -11.7871807780645 1342358 CC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)F)OC 1 3.839 4 2 -8.00337664620291 1342350 CC1=C(C(=CC=C1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C 1 4.154 4 1 -13.8598371729862 1342328 CC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 3.35 2 5 0 -11.6206294492737 1342307 C1CN(CCN1CCC(=O)NC2=CC=CC=C2Cl)C3=CC=CC=C3F 1 3.704 3 1 0.488226528652244 1342275 COC1=CC=C(C=C1)C2=C(OC(=C2C#N)N=CN3CCCC3)C4=CC=C(C=C4)OC 1 4.201 3 3 1.34195405298499 1342265 C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC(=O)NC3=CC(=C(C=C3)F)F 1 3.25 3 2 -13.2155665678026 1342233 C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)Cl)C/C=C/C3=CC=CC=C3 1 3.877 3 1 4.05398883521337 1342192 CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.044 3 6 0 -21.6592447284301 1342181 C1=CC(=C(C=C1N2C(=CC(=O)N=C2SCC(=O)NC3=C(C=C(C=C3)Cl)Cl)O)Cl)Cl 1 5.97 3 3 -12.2410859836986 1342167 CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4 1 4.904 3 3 3.84179812239269 1342053 CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC 1 2.824 2 7 0 -19.9977280893557 1342047 CC1=CC=C(C=C1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 3.668 4 1 -15.7731420578366 1342038 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OCC(=O)O 1 3.609 1 4 -15.5734583328494 1342009 C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl 1 5.113 3 1 1.82494957756829 1342005 C1=CC=C2C=C(C=CC2=C1)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 4.753 2 3 -3.5099250809039 1341949 CC1=CC(=CC(=C1)N2C(=CC(=C2C)/C=C/3\C(=O)NC(=O)N(C3=O)C)C)C 1 3.21 3 3 -2.98396357624558 1341927 COC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3)Cl)O 1 5.036 1 3 -2.92083522168272 1341878 CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1)OCC4=C(C=CC(=C4)[N+](=O)[O-])OC 1 5.309 1 6 0 -4.62136109753307 1341811 CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)F 1 3.164 3 3 -13.3615907417144 1341717 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC)C(=O)COC3=CC=CC=C3OC 1 4.26 1 6 0 -8.3467335140692 1341630 CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.882 3 2 -6.9530819213836 1341629 CC1=CC(=NC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC 1 3.257 3 3 -7.54911632914539 1341620 C1=CC=C(C=C1)C(=NOC(=O)C2=CC=CC3=CC=CC=C32)C4=CC=CC=N4 1 4.975 2 2 1.26890192247398 1341554 C1CN(CCN1CCC(=O)NC2=CC(=CC=C2)F)C/C=C/C3=CC=CC=C3 1 3.418 3 1 3.92560158373222 1341422 C1=CC(=C(C=C1C2=CC=C(O2)C(=O)NC3=NC=C(C=C3)Cl)Cl)Cl 1 5.201 2 2 4.02004336877212 1341381 CC(=O)C1=C(NC(=NC1=S)C2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4 1 3.795 4 1 -0.933486540497984 1341336 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl)Cl 1 5.879 3 2 -9.36902408767616 1341311 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)Br 1 2.142 3 4 0 -13.8010533266393 1341281 C1=CC(=CC=C1C(=O)CCC(=O)NC2=CC=C(C=C2)F)Br 1 3.523 1 2 -4.37399997285748 1341238 C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)Cl 1 5.463 3 1 -6.59082943481792 1341148 CC1=C(C=C(C=C1)N2C(=CC(=C2C)/C=C/3\C(=O)NC(=O)N(C3=O)C)C)C 1 3.21 3 3 -2.42860111391782 1341111 CC1(CC2=C(C(C3=C(N2C)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C 1 3.766 1 4 -20.7801928572537 1341098 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)Cl 1 2.826 4 3 0 -11.6608503411057 1341097 CC1=CC(=CC=C1)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 6.643 2 0 -10.89087632446 1341096 COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)C3=CC=C(C=C3)Cl 1 4.025 2 6 0 -0.558133059465662 1341093 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NCC4=CC=CC=C4 1 4.049 4 1 -0.937415524205489 1341079 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C4C(=O)N(C(=O)N(C4=O)C)C 1 2.211 3 5 0 -8.97580884983708 1341065 CN(CCC(=O)NC1=CC=C(C=C1)Br)CC2=CC=CC=C2 1 3.536 2 1 -2.70897341538642 1341058 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=NC=C3 1 0.457 4 3 0 -16.1616088790609 1341041 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)[N+](=O)[O-] 1 2.097 3 5 0 -16.7286204415569 1341009 COC1=CC(=C(C=C1)NC=C2C(=O)CC(CC2=O)C3=CC=CC=C3)OC 1 2.816 1 4 -11.244415537797 1341004 CC1(CC(=O)C(=CNC2=CC=CC=C2SC3=CC=CC=C3)C(=O)C1)C 1 4.142 1 2 -8.79496918088313 1340985 COC1=C(C=C(C=C1)C(=O)NCC2(CCOCC2)C3=CC=CC=C3)[N+](=O)[O-] 1 2.641 2 5 0 -23.6308262903492 1340979 COC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4Cl 1 4.924 2 2 -5.877714464816 1340978 C1CN(CCN1CC2=CC=C(C=C2)Br)S(=O)(=O)CC3=CC=CC=C3 1 3.243 2 2 -11.5827359032513 1340970 CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 2.857 2 5 0 -15.8272754419581 1340954 CC1=CC(=CC=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 3.35 2 5 0 -11.1256769397281 1340935 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C(=O)NC4=CC=C(C=C4)C(=O)O 1 5.166 3 3 4.20713706787807 1340892 CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C\3/C(=O)NN(C3=O)C4=CC(=C(C=C4)F)Cl 1 2.264 4 3 0 -2.93519595625612 1340822 C1COCCN1C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.483 2 4 0 -17.231638718821 1340783 C1COCCN1C(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4 1 3.31 3 2 3.4930792314911 1340719 CC1=CC(=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC(C)C 1 3.083 2 4 -8.76774249745884 1340705 CC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC 1 3.633 4 2 -9.53006857644776 1340697 COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.541 3 7 0 -22.2174875087738 1340675 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CCO 1 0.5 4 5 0 -6.44364996834737 1340610 CCCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 0.721 3 6 0 -29.1604556067891 1340601 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCC3)[N+](=O)[O-] 1 2.87 3 4 0 -14.8058554776133 1340554 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4 1 6.298 3 3 3.47793104074308 1340551 C1CCC(CC1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)O 1 3.594 3 3 -18.1086930595789 1340543 C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3 1 2.389 3 4 0 -17.1050970700094 1340532 CCNC(=S)NC1=C(C=C(C(=C1)OCC)N2CCOCC2)OCC 1 3.375 3 3 -11.6373263517917 1340484 C1COCCN1C(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 3.328 2 5 0 -2.70459669337481 1340477 C=CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)Br 1 3.78 3 1 -7.75311086695278 1340468 CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2 1 4.148 3 3 -6.69689475465982 1340458 CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 5.585 3 3 -4.81535052427564 1340407 C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC=CO4 1 3.81 4 2 -16.5993217086747 1340381 COC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)OC 1 4.328 2 4 -7.21279533745602 1340378 C1=CC=C(C=C1)C(CCNC(=S)NC2=CC=CC=C2Cl)C3=CC=CC=C3 1 6.821 2 0 -11.8444365373815 1340357 COC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4 1 5.065 3 3 2.76867178008516 1340250 CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O 1 2.487 2 7 0 -16.2435170990764 1340199 CC1=CC(=C(C(=C1)C)CSC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])C 1 5.546 3 2 -1.25701827401951 1340189 CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2 1 4.148 3 3 -6.63223616151761 1340180 CCN(CCC(=O)NC1=CC(=CC(=C1)OC)OC)CC2=CC=CC=C2 1 3.104 2 3 -7.80344067912506 1340159 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=CC=CC=C3 1 2.712 4 4 0 -4.70457408527194 1340147 C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3 1 4.448 3 1 -1.08862733534705 1340132 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=NNS(=O)(=O)C4=CC=CC=C4 1 4.469 3 2 -2.71859606617891 1340123 C1=CC=C(C(=C1)OCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)COC3=CC=CC=C3Cl)Cl 1 4.028 2 6 0 -9.82240139643938 1340106 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCCCCCC3 1 3.658 2 3 -12.3192341395317 1340032 CC1=CC=CC=C1NC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3 1 3.8 3 2 -15.5237854758914 1340008 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CCOCC2)C3=CC=CC=C3 1 2.96 1 4 -14.7877771944518 1339985 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-] 1 1.502 4 5 0 -20.7613862060416 1339954 CC1=CC(=NC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.602 3 2 -2.46258767270886 1339945 CC1=CC(=CC=C1)OCC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 2.037 2 4 -12.4108804793229 1339919 CC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3 1 3.8 3 2 -13.1307038031978 1339916 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)OC 1 3.544 6 3 0 0.25793684175097 1339899 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 2.796 2 6 0 -11.5814255992857 1339855 C1CN(CCN1CC2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4[N+](=O)[O-] 1 4.247 3 2 2.05262711248769 1339800 CCN1C2=CC=CC=C2N=C1NCC3=C(C=CC(=C3)Br)NS(=O)(=O)C4=CC=C(C=C4)C 1 5.084 4 2 -5.19102766300881 1339777 COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC3=CC=CC=C32 1 4.53 2 3 -11.2743745446385 1339774 C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O 1 4.077 2 4 -1.93850030649542 1339742 CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3)C5=CC=CC=C5 1 5.327 3 1 -2.52751170268226 1339710 COC1=CC=CC=C1CC(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CO4 1 3.252 3 4 0 -4.71148513179061 1339702 CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)N(C4=C2C(=O)CC(C4)(C)C)C)O 1 3.889 1 4 -15.7188415159856 1339690 CC(C)(C)NC(=O)CSC1=NC(=O)C=C(N1C2=CC=CC=C2F)O 1 2.872 3 3 -18.7797257845416 1339686 COC1=CC=C(C=C1)C2=C(OC(=C2C#N)N=CN3CCOCC3)C4=CC=C(C=C4)OC 1 3.428 3 4 0 -0.692612806674569 1339676 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.117 3 6 0 -20.2656538312415 1339666 CC1=CC(=C(C=C1)C)NC(=O)CCN(C)CCC2=CC(=C(C=C2)OC)OC 1 4.049 2 3 -10.1768189553501 1339621 CC1=C(C=C(C=C1)N(CC(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3)Cl 1 3.382 3 3 -20.2744540245659 1339619 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N 1 2.317 3 4 0 -15.4099885584784 1339594 COC1=C(C=C(C=C1)CCNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])OC 1 3.204 2 5 0 -19.1057811745189 1339564 CCC1=NNC(=S)N1N=CC2=CC(=C(C=C2OC)OC)Br 1 3.465 4 2 -7.44480883723597 1339555 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 1.809 3 5 0 -9.81759323308367 1339487 C1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/C(=O)NC3=CC=CC=C3 1 4.561 1 1 -4.69701683118197 1339478 C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)CC#N 1 4.26 3 1 -8.64116000047098 1339468 CCOC1=CC=CC=C1N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.981 2 4 -17.3159466858811 1339461 CCOC(=O)N1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Cl 1 2.517 2 3 -8.96534971576229 1339460 CC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)OC(C)C 1 5.115 3 2 -6.09757929250615 1339335 CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC=CC(=C2)C)[N+](=O)[O-] 1 3.395 4 4 0 -11.238235800216 1339266 CC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C 1 1.699 2 5 0 -19.1381918212323 1339255 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=C(O2)C)Br 1 3.161 2 3 1.15018923493708 1339139 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)OC 1 6.425 4 2 -3.2195225807242 1339128 CC1=CC=C(C=C1)CSCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.796 1 3 -17.0113833871617 1339116 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN(C4=CC(=CC(=C4)C)C)S(=O)(=O)C 1 5.05 3 3 -4.66582793531264 1339092 CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=CC(=CC=C2)Br 1 2.334 2 3 -12.02476875629 1339031 COC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C 1 2.492 2 5 0 -9.43117713937947 1338981 CC1=CC(=C(N1C)C)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl 1 2.901 3 3 -0.960510506219905 1338977 CC(=O)OC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3 1 4.398 1 3 -7.16443727558469 1338937 C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(O3)/C=C/4\C(=O)NC(=O)N(C4=O)C5=CC=CC=C5F 1 4.547 4 4 0 0.630584988443797 1338917 CCOC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2C(=O)OCC)S(=O)(=O)C 1 2.12 2 6 0 -23.8176867496647 1338834 COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 4.487 3 3 -13.1749904215203 1338830 CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2 1 5.985 2 2 -10.8738073026178 1338821 CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC=N2)C)[N+](=O)[O-] 1 3.867 4 4 0 -11.0498906411529 1338763 CC(C)(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)OC3=CC=C(C=C3)Cl 1 3.344 3 3 -4.96093038263482 1338753 C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)F 1 2.995 2 5 0 -16.3588962913203 1338742 CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3)[N+](=O)[O-] 1 4.931 4 4 0 -15.3444355663922 1338705 CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)[N+](=O)[O-] 1 2.571 4 4 0 -16.2112675611769 1338644 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3C(=O)NCC4=CN=CC=C4 1 4.898 3 3 -15.3510776156882 1338541 CC1=CC(=C(C=C1)OC)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.632 2 4 -14.7933464024656 1338530 CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3Cl 1 5.925 3 3 -14.9419836213639 1338529 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.313 3 6 0 -23.7720036071718 1338525 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=CC=C2)OC3CSC3 1 3.317 2 3 -2.12113185482489 1338519 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3)[N+](=O)[O-] 1 4.106 2 6 0 -20.8603939125258 1338511 COC1=CC(=CC(=C1OCC2=C(C=C(C=C2)Cl)Cl)CC=C)C=O 1 5.476 0 3 -6.06386657140107 1338490 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.445 4 4 0 -15.0190772164414 1338487 CC1=C(C=CC(=C1)NC(=O)CCSC2=CC=CC=C2)Br 1 4.491 1 1 -5.28392026354501 1338434 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 2.944 2 5 0 -15.3806011875213 1338433 CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)Cl)[N+](=O)[O-] 1 4.507 4 5 0 -12.3913188972854 1338419 CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4N3)Cl)[N+](=O)[O-] 1 4.946 4 4 0 -3.00301598837503 1338304 CC1=CC(=CC=C1)COC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl 1 5.112 2 3 -3.8595934338863 1338242 CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)/C=C\3/C(=O)N(C(=O)S3)C 1 2.945 2 4 -7.80038901353659 1338210 CCCN(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C(=O)C3=CC=CC=C3N 1 2.039 4 2 -11.3017628638868 1338203 CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CC=CC=C3Br 1 1.136 3 6 0 -28.5707890826032 1338143 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NC3=CN=CC=C3 1 3.019 3 2 -9.24064947637517 1338135 CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CS3 1 4.99 3 2 -14.1939595987436 1338052 CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=CS4 1 5.656 3 2 3.59791163331739 1338039 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)C(=O)C5=CC=CC=C5 1 3.443 3 4 0 -9.2924195766159 1337939 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)C3=NC4=CC=CC=C4N3)[N+](=O)[O-] 1 4.768 4 4 0 -5.14459889183792 1337930 CC1=CC(=C(C=C1)C)N(CC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)S(=O)(=O)C 1 5.05 3 3 -5.72036928452705 1337774 COC1=C(C=CC(=C1)C=NNS(=O)(=O)C2=CC=CC=C2)OC(=O)OC 1 2.78 2 6 0 -6.17345908467211 1337759 CCC1=CC=CC=C1N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.951 3 3 -16.714736610857 1337750 CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3Cl)[N+](=O)[O-] 1 5.595 4 4 0 -15.0606832672945 1337736 CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCCC3)[N+](=O)[O-] 1 5.072 4 4 0 -12.3870273925869 1337640 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC=C(C=C3)C(=O)C 1 1.645 2 5 0 -23.7868715443452 1337637 CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)C 1 5.975 3 3 5.08681890582803 1337626 COC1=C(C=C(C=C1)[N+](=O)[O-])COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4 1 4.823 1 6 0 -4.20676180411948 1337611 C1=CC=C2C(=C1)C=CC=C2NC(=O)CN3C=NC=C3C4=CC=C(C=C4)[N+](=O)[O-] 1 3.172 4 3 0 -7.3126033040057 1337533 CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=CN(N=C3)C4=CC=CC=C4)CN5CCCCC5)O 1 5.298 3 3 9.5791953084955 1337504 CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 1.939 2 7 0 -17.8277773483364 1337412 CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N)C4=CC=CC=C4)C 1 4.988 4 2 9.69894016529717 1337495 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=CN=C3)CC4=CC=C(C=C4)[N+](=O)[O-] 1 1.589 7 4 0 -16.1088062323339 1337489 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CN=CC=C2)C3=CC=C(C=C3)Br 1 3.243 3 3 -12.7266236154805 1337443 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3CCCCC3 1 3.822 3 5 0 -12.4373393471328 1337346 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=C3C(=O)N(C(=O)N(C3=O)C)C 1 0.625 4 4 0 -11.8528546621121 1337323 CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3 1 4.503 2 2 -7.83075532231998 1337232 CC1=CC(=CC=C1)N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C 1 1.162 4 4 0 -23.5742346405731 1337224 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.8 3 6 0 -21.989614347437 1337150 C1CCC(=CC1)CCNC(=O)/C=C/C2=CC=CC3=CC=CC=C32 1 4.741 1 1 -6.2151689272889 1337138 CCOC1=CC=CC=C1N(CC(=O)N2CCC(CC2)C)S(=O)(=O)C3=CC=C(C=C3)C 1 3.776 2 4 -20.0050562897856 1337112 CC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4 1 3.979 3 3 -5.14329094017914 1337099 COC1=CC=C(C=C1)CCNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.221 2 4 -15.1076664461499 1337035 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CN=CC=C2)C3=CC(=CC=C3)Br 1 3.243 3 3 -12.1568391357606 1337038 CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 5.418 2 2 -7.68569997993806 1337084 CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OC)[N+](=O)[O-] 1 3.976 3 5 0 -15.1690878795401 1337080 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-] 1 2.442 2 6 0 -16.3817226249559 1337077 CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl 1 3.815 3 3 -7.27295223736151 1336990 C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)F 1 5.06 3 2 -5.20328251766443 1336924 C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.51 4 4 0 -12.8143768850542 1336904 COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCCC3=CC=CC=C32 1 3.135 1 5 -13.3108193147265 1336889 C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)OC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl 1 5.231 3 4 0 0.587386018082215 1336864 CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C 1 3.79 2 5 0 -12.8173299312704 1336857 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-] 1 5.289 2 4 -6.71182431104476 1336836 CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)Cl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l)OC 1 3.276 1 5 -14.619840671364 1336623 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.304 2 5 0 -13.820909420987 1336608 CCN1C=C(C(C(=C1)C(=O)OC)C2=C(C(=CC=C2)OC)OC)C(=O)OC 1 1.696 1 6 0 -11.6187095735164 1336568 C1=CC(=CC=C1C=NNC(=O)CC#N)OCC(=O)NC2=CC=C(C=C2)F 1 1.904 4 3 0 -13.3252250971758 1336425 COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4 1 5.177 3 2 -8.90002166190206 1336353 CN1C=C(C(C(=C1)C(=O)OC)C2=C(C=C(C=C2)Cl)Cl)C(=O)OC 1 2.709 1 4 -6.16074640561573 1336342 C1CN(CCN1C2=CC=CC=C2)C3=NN4C(=NN=C4C5=CC=C(C=C5)Br)C=C3 1 4.237 6 0 3.69697541698393 1336337 CC1=CN(N=C1)C2=NN3C(=NN=C3C4=CC=C(C=C4)Br)C=C2 1 3.778 6 0 1.81185432151615 1336314 C1=CC=C(C=C1)NC2=NN3C(=NN=C3C4=CC=C(C=C4)Br)C=C2 1 3.978 5 0 1.043414668307 1336288 COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2F)NC(=O)C3=CC=CO3 1 4.135 3 4 0 -17.1764515866568 1336265 CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=CC=C2F)C(=O)OC 1 2.925 3 3 -14.0304179227978 1336233 CCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.417 3 4 0 -11.1958542028975 1336190 CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.193 2 2 -7.90401296785262 1336073 COC1=CC(=CC(=C1OC)OC)/C=C(\C(=O)O)/NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.696 1 6 0 -10.6985042689378 1336043 CN1C(=O)C(=CC2=CC(=C(O2)N3CCOCC3)Br)C(=O)N(C1=O)C 1 1.394 3 5 0 -8.75066460789063 1336020 C1=CC=C(C=C1)C(CCNC(=S)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3 1 6.821 2 0 -10.0296526210837 1335979 CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=CC=C2Cl)C(=O)OC 1 3.384 3 3 -12.8376466204723 1335958 C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 5.372 2 1 -4.33479443220088 1335953 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CC=C2OC)C3=CC(=C(C=C3)OC)Cl 1 4.284 2 5 0 -20.264564490824 1335943 C1CN(CC2=CC=CC=C21)C(=O)CN(C3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)C4=CC=CC=C4 1 4.776 2 3 -16.9124782531784 1335935 COC1=CC=C(C=C1)N(CC(=O)OC)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.181 1 7 0 -19.0412407723794 1335878 CC1=CC(=C(C=C1)OC)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C 1 2.258 2 4 -13.8885294552312 1335812 CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)Cl 1 4.217 3 2 -9.42467952210869 1335795 C1=CC(=CC(=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)Br)C(F)(F)F 1 4.26 1 2 -0.720064408697999 1335691 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C(=O)C=CC3=O)N4CCOCC4)Cl 1 3.173 3 4 0 -1.80576125952174 1335592 COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CC(=O)NCC3=CC=CC=C3 1 2.213 5 3 0 -17.0712803073313 1335580 CC1=CC=C(C=C1)OCCN2C(=C(C3=CC=CC=C32)C=NN4C=NN=C4)C 1 3.808 5 1 -1.43464788350713 1335539 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)NC3=CC=CC=C3F 1 3.145 4 2 -11.8536668882942 1335528 COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)NC3=CC=CC=C3F)OC 1 3.129 4 3 0 -17.0074360492583 1335418 CCOC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CC(=O)NCC3=CC=CC=C3 1 2.562 5 3 0 -17.8375034590393 1335373 C1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.644 4 1 -6.11554954715375 1335324 CC1=C(C2=CC=CC=C2N1CCOC3=CC=C(C=C3)OC)C=NN4C=NN=C4 1 3.305 5 2 0 -1.80459406951703 1335317 CC1=C(C2=CC=CC=C2N1CCOC3=CC=C(C=C3)Cl)C=NN4C=NN=C4 1 3.986 5 1 0.575647401413489 1335311 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)NC3=CC=CC=C3OC 1 2.923 4 3 0 -13.9617576399264 1335295 CN(C)C1=CC=C(C2=CC=CC=C21)NC(=O)C3=CC(=CC(=C3)OC)OC 1 3.652 2 3 -12.3323366019058 1335223 CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=N3 1 4.584 3 2 -13.1307653134592 1335219 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C(F)(F)F 1 1.997 2 3 0 -4.58347670202207 1335166 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CO4 1 2.935 3 7 0 -3.0272876785363 1335110 CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=NC=CS3 1 4.192 3 2 -15.2585319208247 1335096 CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=O)NC(=O)N(C3=O)CC4=CC=CO4)C 1 3.489 3 4 0 -6.44627027263153 1335075 CC(=O)NC1=CC=C(C=C1)NC(=C2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4 1 3.446 2 3 -4.64804051037536 1335028 CC(=O)OC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)N(C)C3=CC=C(C=C3)O 1 3.864 1 4 2.82551684173289 1334874 C1=CC=C(C=C1)CNC(=O)COC2=CC=C(C=C2)C=NNS(=O)(=O)C3=CC=CC=C3 1 3.013 3 4 0 -11.9576626883675 1334850 CC1=C(C2=NSN=C2C=C1)NC(=O)C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl 1 5.762 3 2 4.8828825372043 1334813 C1=CC=C2C(=C1)N=C(N2CCO)CSC3=NC4=CC=CC=C4N3CCO 1 3.054 4 2 -4.36970312310657 1334780 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCC3 1 0.639 3 3 0 -15.2224857383574 1334730 CC1=NN=C(O1)C2=CC(=C(C=C2)OC3=CC=C(C=C3)Br)[N+](=O)[O-] 1 3.592 3 4 0 -1.31389613725102 1334682 CC1=CC=CC=C1OCC(=O)NC2=C(C=C(C=C2)CSC3=CC=CC=C3)C 1 5.547 1 2 -9.34489725593173 1334675 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3 1 3.714 3 4 0 -10.5654341709284 1334639 CCCC1=NN=C(S1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 1.926 4 3 0 -16.0543214387892 1334635 C1CCN(CC1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.851 3 1 -8.63192843533578 1334628 CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC=C4OC 1 4.468 1 4 -5.29718947899693 1334608 CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=O)N2)Br)OCC3=CC=C(C=C3)C(=O)O 1 3.014 2 6 0 -13.3669560103654 1334602 C1=CSC(=C1)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Br 1 3.227 2 2 -3.0495754864093 1334532 CC1=C(C=CC(=C1)O)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 3.608 3 2 -7.61887538526699 1334525 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCC3)Br 1 3.969 2 2 -4.05371000729622 1334488 CC1=C(C(=CC=C1)N(CC(=O)N2CCCC2)S(=O)(=O)C3=CC=CC=C3)C 1 3.222 2 3 -14.3961260500261 1334477 C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CCC(=O)NC3=C(C(=CC=C3)Cl)Cl 1 5.459 1 3 -3.89738185600661 1334434 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)CC(=O)NCC3=CC=NC=C3 1 2.771 3 3 -19.2257161645607 1334360 CC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)/C=C/3\C(=O)NC(=O)N3 1 1.842 3 4 0 -13.9990665518174 1334292 CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C)C=NN4C=NN=C4 1 3.984 5 1 1.81342219547142 1334272 C1COCCN1C(=S)C2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)Cl 1 4.451 1 3 -10.7517330072332 1334251 CC1=CC=C(O1)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Br 1 2.815 2 3 -1.87528167193539 1334231 CC1=CC2=C(C=C1C)OC(=N2)C3=C(C(=CC=C3)NC(=O)C4=CC=C(O4)Br)C 1 5.487 2 3 3.28584648072663 1334226 CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C 1 4.02 2 3 -3.99749468430855 1334116 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=N3)OC 1 3.608 3 4 0 -17.5230784830915 1334104 CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OC(=O)C4=CC=CS4 1 5.706 0 4 -5.35514846503601 1334037 CC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)OC4=CC=C(C=C4)Cl)C 1 5.636 1 3 -2.31716735235274 1334002 CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C 1 2.71 3 6 0 -23.9504102715813 1333964 C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3F)CC4=CNC5=CC=CC=C54 1 4.142 4 0 10.1729053608198 1333953 C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.892 3 2 -6.11912435954998 1333937 CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3)C 1 4.35 2 4 -5.53991285926664 1333892 CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)OC4=CC=C(C=C4)Cl 1 5.149 1 3 -1.35498743765306 1333801 COC1=CC(=C(C=C1)OC)/C=C\2/C(=O)N(C(=S)S2)CC3=CN=CC=C3 1 3.447 2 3 -5.68456130789924 1333718 C1=CC(=CC(=C1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])NC(=O)C3=CC=CO3 1 3.821 3 5 0 -7.60097830502531 1333749 C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3N=C(N=N3)C4=CC=CC=C4Cl 1 2.581 5 3 0 -9.38116495957525 1333712 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.805 2 4 -3.09955072352486 1333705 CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)COC3=CC4=C(CCCC4)C=C3 1 5.139 3 3 -20.0630093597659 1333629 CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC(=O)NC3=CC(=C(C=C3)C)C 1 4.142 3 3 -16.7732360461591 1333578 CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCCC3)Cl)[N+](=O)[O-] 1 4.282 3 3 -6.07204638162999 1333576 CCCN1C2=CC=CC=C2N=C1SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 6.214 3 1 -6.31579761638227 1333561 C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4 1 2.694 3 2 -8.37852044840294 1333479 C1CC2=CC=CC3=C(C=CC1=C23)NC(=O)COC4=CC5=CC=CC=C5C=C4 1 4.867 1 2 -1.88312379502168 1333472 CC1=CC=C(C=C1)N(CC(=O)NC2CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.542 2 4 -15.9965469915351 1333464 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.689 3 5 0 -7.3639640525782 1333416 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3F 1 2.551 5 3 0 -7.64390803860682 1333393 COC1=CC=C(C=C1)C2=CC(=O)OC3=CC(=C(C=C23)Cl)OC(=O)C4=CC=CS4 1 5.411 0 5 -5.18510821125418 1333336 C1=CC(=CC(=C1)COC2=C(C=C(C=C2)/C=C/3\C(=O)NC(=O)N3)Cl)C(=O)O 1 2.598 2 5 0 -11.895717845196 1333333 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCCC3)Br 1 4.426 2 2 -4.4081785214643 1333327 CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.633 3 5 0 -10.6233883356638 1333106 CCOC1=CC=C(C=C1)N2C(=C3C=CC(=O)C(=CC3=C2C)C(=O)OCC)C 1 3.994 1 4 -4.46151713733424 1333026 CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1)OCC(=O)C(C)(C)C 1 4.976 0 4 -5.97158486566258 1333016 CN1CCN(CC1)C(=O)/C(=C/C2=CC=CS2)/NC(=O)C3=CC(=C(C=C3)OC)OC 1 2.078 3 4 0 -20.0472247714378 1332959 COC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4=CC=CC=C4NC3=S 1 3.956 4 2 -3.76837880492257 1332958 CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)Br 1 3.612 2 2 -11.9863733666354 1332923 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O 1 4.248 1 6 0 -6.93431965388615 1332916 CCOC(=O)C1=C(SC(=C1C)C(=O)NC2CCCCC2)NC(=O)CC3=CC=CS3 1 4.437 2 4 -21.8502266502047 1332911 CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)CC(=O)CSC3=CC=C(C=C3)Cl 1 4.229 5 1 1.17638820491541 1332907 CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.91 4 4 0 -18.2101315970097 1332906 C1CCN(CC1)CCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3 1 4.274 2 2 -5.78130869171162 1332897 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC(=S)N3CCCCC3 1 3.901 6 1 0 -6.98582362065425 1332881 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=NN3CC4=CC=CC=C4 1 2.702 6 1 0 -20.8791278773976 1332751 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2CCCC2 1 2.919 2 3 -17.6397330556662 1332750 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC)C(=O)N 1 1.789 2 4 0 -9.80778355007077 1332728 CC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl 1 2.048 4 3 0 -24.3970992932091 1332709 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC 1 2.417 1 5 -5.23996727436546 1332683 C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(=O)O 1 3.019 2 5 0 -21.8127805655658 1332678 CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3CCCCC3 1 2.801 2 3 -13.0932709328346 1332671 C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 3.414 1 3 -4.9994862710277 1332670 C1C2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3)C4=C1C=C(C=C4)NC(=O)COC5=CC=CC=C5 1 4.733 2 4 -4.09887499238811 1332652 COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NC2CCCCC2 1 3.324 2 3 -11.7677196796686 1332631 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)Cl 1 3.396 2 5 0 -8.13174691953757 1332617 COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.873 1 5 -2.76180023806986 1332602 CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)C4=CC(=CC=C4)OC 1 5.99 0 5 -12.2819144966235 1332587 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.142 2 6 0 -23.3295170108662 1332572 CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)C(C)(C)C 1 4.39 0 4 -9.48655745031483 1332558 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCCC4 1 4.123 2 5 0 -12.3228935231656 1332542 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NCC2=CC=CO2 1 2.282 2 4 -21.0624048897432 1332474 CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C5=CC=CC=C5N=C4C 1 4.961 2 5 0 -16.0800837576412 1332468 C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=NC=CN=C3 1 2.5 2 5 0 -16.9455306087001 1332453 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC 1 1.517 2 3 0 -18.0316041324714 1332442 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)F 1 2.854 2 3 -16.592550043657 1332433 C1CC1C(=O)NC2=CC=CC(=C2)C(=O)C3=CC=CC=C3 1 3.112 1 2 -4.6116286967983 1332429 CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N 1 2.304 1 4 -9.2238844640336 1332395 CC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CC3=CN=CC=C3)OC 1 3.95 2 2 -5.07119029995427 1332381 C1CCN(C1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 4.264 3 3 -4.11500549318637 1332352 COC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=N3 1 3.496 3 4 0 -15.9765039430522 1332299 CC1(CC2=C(C(=O)C1)C3=C(O2)C4=CC=CC=C4C(=C3)NS(=O)(=O)C5=CC=C(C=C5)OC)C 1 4.362 1 5 -16.4646156515886 1332281 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-] 1 4.689 2 5 0 -10.8741785575372 1332275 COC1=CC=CC=C1N(CC(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C 1 2.509 2 4 -11.4755944311588 1332258 COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)N3CCCC3 1 3.969 2 2 -2.69786847489199 1332213 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.545 3 4 0 -14.5911282345354 1332179 C1=CC2=C(C(=C1)OC3=CC=C(C=C3)Cl)C(=O)N(C2=O)C4=CC=C(C=C4)C(=O)O 1 4.293 1 5 -5.68753704641238 1332152 COC1=CC=CC(=C1)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 3.122 0 5 -8.67922837569397 1332104 C1=CC(=CC(=C1)CNC(=O)CC2=CC=CS2)CNC(=O)CC3=CC=CS3 1 3.389 2 2 -12.4601286884651 1332096 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N 1 2.138 2 4 -6.95689659273278 1332056 C1CN(CCN1C(=O)C2=CSC=C2)C(=O)C3=CC=CS3 1 1.74 2 2 0 -11.6614835217395 1332050 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=C)Cl 1 4.257 0 3 -5.94866700999094 1332049 CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)O)C 1 2.24 2 4 -10.2156360373142 1332047 C/C(=C/1\C(=O)N(C(=S)S1)CCC(=O)O)/C2=CC=C(C=C2)O 1 2.981 1 4 -10.6286449136384 1332014 CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3C)C)C 1 3.454 2 3 -9.93837485535135 1331959 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C4C(=C(C=C3)Br)C=CC=N4 1 3.373 2 2 0.163043269039038 1331949 CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3OCC 1 2.328 2 4 -13.6647272023044 1331943 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-] 1 3.443 3 3 -7.60298923392079 1331912 CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC=CC(=C2)C(=O)O 1 3.052 1 4 -9.09464048586677 1331837 CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC 1 1.502 2 5 0 -13.1498610424849 1331820 C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)CC3=CC=CC=C3 1 2.542 2 2 -14.5248802011354 1331763 CC(C)(C)C(=O)NC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)O 1 4.423 2 5 0 -11.3701042419248 1331752 CCC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O 1 1.911 1 3 0 -3.24747074972931 1331726 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 1 4.502 3 4 0 -3.58381531768156 1331725 COC1=C(C=CC(=C1)C=NN2C=NN=C2)OCC(=O)N3CCOCC3 1 -3.5e-002 5 4 0 -12.7690809414335 1331710 CC(=O)OC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)OC 1 2.221 1 6 0 -11.2978040707197 1331690 C1CN(CCC1C(=O)NC2=CC(=CC=C2)F)C(=O)CC3=CC=CC=C3 1 2.741 2 2 -4.33603942167714 1331683 CN1CCN(CC1)C(=S)C2=CC=C(C=C2)Cl 1 3.289 2 0 1.37014902642256 1331638 CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl 1 4.431 1 1 13.4684131869574 1331616 CC1=CC(=NO1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4 1 2.369 3 4 0 -17.3752298329757 1331611 C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5)C(F)(F)F 1 5.705 3 3 3.81023567399502 1331563 CCC(=O)C1=CC(=C(C=C1)OCC(=O)OCC)OC 1 2.259 0 5 -15.8131958974175 1331552 CCC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=CS3)OCCO2 1 2.76 1 4 -11.8418053223498 1331519 C1CC(=O)N(C1=O)C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC=CC=C4F 1 2.605 3 3 -10.5131911830104 1331482 CN(CC(=O)NC1=CC(=C(C=C1)OC)Cl)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.895 2 4 -9.14466159300018 1331432 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)CC3=CC=C(C=C3)Cl 1 3.728 2 4 -9.80826538254097 1331390 COC1=CC=C(C=C1)CNC(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 3.821 2 4 -17.9395456024377 1331320 CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCOCC3)C4=CC=C(C=C4)OC 1 3.534 2 3 -3.61086978671014 1331310 C1=CC(=CN=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.918 3 4 0 -7.27762689240885 1331298 COC1=C(C(=C(C=C1)/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3)OC)OC 1 2.604 2 6 0 -4.09210655537069 1331290 CCOC(=O)C1CCN(CC1)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)OC 1 2.228 3 5 0 -5.72546003799017 1331286 COC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2[N+](=O)[O-])OC)C(=S)N3CCOCC3 1 3.648 2 7 0 -14.2591617800643 1331264 C1CCN(CC1)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F 1 5.222 1 2 -8.13524802898464 1331247 C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 2.801 2 3 -10.4229044712254 1331233 CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C3=CSC(=N3)C 1 4.22 2 1 -3.4306539372158 1331214 CCC(=O)OC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CO4 1 3.668 3 5 0 -7.76658699562265 1331160 CCOC(=O)C1CCN(CC1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3C)C 1 2.318 3 5 0 -4.10543576598364 1331157 C1CCCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=N4)C5=CC=CC=N5 1 6.335 6 0 -9.5442190462879 1331152 C1CN(CCC1O)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl 1 4.196 1 3 -6.10831105161297 1331151 CN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=C(C=C2)Br 1 2.334 2 3 -9.84108020279255 1331110 CCOC(=O)C1CCN(CC1)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F 1 2.45 3 4 0 -5.74616274837368 1331100 CN(CC(=O)NCC1=CC=NC=C1)S(=O)(=O)C2=CC=C(C=C2)Br 1 1.188 3 3 0 -13.2929875890572 1331098 CC1=CC(=NO1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4 1 2.644 3 4 0 -23.0551802812121 1331072 C1COCCN1C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)SN=N4 1 4.389 5 1 -8.46605278724789 1331069 CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-] 1 3.025 2 5 0 -11.529385726998 1331044 CC1=CC(=C(N1C2CC2)C)/C=C\3/C(=O)NC(=S)S3 1 2.921 2 1 -0.705696587492784 1331007 COC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.888 1 4 -10.5909668511046 1330957 C1CN(CCC1C(=O)NC2=CC=CC=C2Br)C(=O)CC3=CC=CC=C3 1 3.284 2 2 -7.04038004726656 1330898 CN(CC(=O)NC1=C(C=CC(=C1)OC)OC)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.215 2 5 0 -10.1550281595795 1330897 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC(=CC=C2)SC 1 2.611 2 3 -7.2132365754175 1330887 CN(C)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)NC2CCCCC2)Cl 1 2.908 2 4 -5.70165409522914 1330817 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=N3)Cl 1 1.472 3 4 0 -18.7684958836001 1330813 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=C(C=C(C=C3)Cl)Cl 1 5.394 4 0 -4.06843182316244 1330763 COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4Br 1 5.008 2 2 -5.42097471809955 1330757 C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)N)F 1 1.644 6 2 0 -25.2240282351491 1330756 CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3)C 1 5.019 1 3 -10.8577845141133 1330721 COC(=O)COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3F 1 2.68 2 6 0 -13.901908708928 1330701 CC1=CC=C(C=C1)NC(=O)CN2C(=O)CSC2=O 1 1.373 2 3 0 -14.7862789706477 1330700 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=S)NC3=CC=CC=C3F 1 5.262 3 0 -3.40854408807571 1330685 CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC=CO4)C 1 4.214 2 6 0 -25.9395047895498 1330651 CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)OCC(=O)N3CCOCC3 1 0.133 3 7 0 -20.3991659461833 1330642 CN(CC(=O)NCC1=CC=NC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.104 3 3 0 -11.8363278439558 1330600 COC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)F)OC)C(=S)N3CCOCC3 1 3.96 1 5 -10.9805091148689 1330569 COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCC3 1 2.924 2 4 -19.6149503990052 1330547 CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)C 1 3.444 3 3 -14.0734677671797 1330545 COC1=C(C=C(C=C1)C(=O)OCC2=CC=CO2)S(=O)(=O)N3CCOCC3 1 1.239 1 7 0 -22.0812532692471 1330539 CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC=C(C=C3)OC 1 5.473 0 4 -4.01369346029618 1330533 COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 5.04 3 1 -3.95875170495269 1330517 CCOC(=O)C1=C(NC(=C(C1/C=C/C2=CC=CC=C2OC)C(=O)OCC)C)C 1 3.021 1 5 -14.286496356873 1330453 CC1=C(SC2=C1C(=NC=N2)SCC(=O)C3=CC=C(S3)Cl)C 1 4.493 2 1 -4.75600074158247 1330451 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)OC2=CC=CC(=C2)C3=NC4=CC=CC=C4N=C3 1 4.973 3 4 0 -9.64677650998104 1330364 COC1=C(C=C(C=C1)C(=O)NC2=CN=CC=C2)S(=O)(=O)N3CCOCC3 1 0.252 3 5 0 -21.4822805034101 1330319 C1CCC(CC1)N(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.503 3 3 -14.0120526971128 1330292 CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)NC(=O)NC4=O)C 1 3.405 3 5 0 -16.7809396507132 1330278 CCOC(=O)C1CCN(CC1)/C=C\2/C(=O)NC(=O)N(C2=O)CC3=CC=CO3 1 0.534 3 6 0 -10.7974377932016 1330270 CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=C(C=CC(=C3)C)C 1 4.644 2 6 0 -7.12504817976902 1330220 COC1=CC=CC=C1NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 6.14 2 1 -15.3768155563629 1330216 CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC(=CC=C3)OC 1 5.473 0 4 -4.19452835499419 1330191 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=CC=CC=C3F 1 5.182 3 2 -11.411389574732 1330177 CC(C)(C)NC(=S)NC1=CC=C(C=C1)Br 1 4.191 2 0 -8.93887696330378 1330165 C1=CC=C(C=C1)CCNC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.73 1 3 -8.87402188583585 1330131 C1COCCN1C(=S)C2=CC(=C(C=C2)OC(=O)C3=C(C=CC(=C3)Cl)Cl)Br 1 5.864 1 3 -7.35340600000519 1330119 COC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C(=O)CCC4=O 1 2.384 3 4 0 -12.790054783552 1330067 C1CCN(C1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3F 1 5.514 1 2 -4.74286976943766 1330056 CCOC1=C(C=CC(=C1)/C=C\2/C(=C(N(C2=O)CC3=CC=CO3)C)C(=O)OC)O 1 2.545 1 6 0 -12.1167059447986 1330022 COC1=CC=C(C=C1)CNC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.821 2 4 -17.5768234433708 1329980 COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl 1 3.155 2 3 -7.12642549821396 1329972 COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=S)N3CCCC3)OC 1 4.527 1 4 -14.1500941272813 1329926 CN(CC(=O)NCC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.238 2 4 -11.7252896023239 1329882 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3CCCC3)OC 1 4.045 2 4 -20.7181749284653 1329852 CC1=CC=CC=C1NC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4 1 5.274 3 1 2.39678198254207 1329834 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC4=CC=CC=C43 1 3.713 2 4 -1.46132278469255 1329832 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN2C(=NC3=CC=CC=C3C2=O)C 1 3.384 3 3 -8.88051669022235 1329828 C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 2.993 3 3 -10.472432617746 1329774 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Cl)Cl 1 4.021 2 3 -0.927878074619703 1329718 C1CCN(CC1)C(=O)C2=CC(=CC=C2)OC3=C(C=CC=C3Cl)[N+](=O)[O-] 1 4.28 2 4 -3.62293967823523 1329686 CCOC1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC3=CN=CC=C3)OCC 1 4.144 2 3 -5.61183706763593 1329648 C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.681 2 5 0 -14.7855876859459 1329592 C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 1 4.77 3 3 -4.11621196140843 1329609 CC1=C(C=C(C=C1)NC(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=N4)C5=CC=CC=N5)C 1 7.252 6 0 -2.64570024342045 1329577 C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Cl 1 3.335 3 2 -0.924297770809755 1329541 COC1=CC2=C(C=C1)N=C(N2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N 1 3.208 7 1 0 -2.50350432784641 1329521 CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.881 3 4 0 -4.31810378410633 1329510 CC(C)(C)CC(C)(C)NC(=S)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4 1 6.795 6 0 -9.45681965498564 1329463 CN1CCN(CC1)C(=O)CN(C2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.776 3 3 -7.98409948219564 1329457 CCOC1=C(C=CC(=C1)C=NN2C=NN=C2)OCC(=O)NC3=CC=CC=C3OC 1 1.981 5 4 0 -13.2717060316127 1329446 C1=CC=C(C=C1)CN(CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.104 2 4 -20.7362253268989 1329431 C1COCCN1C(=O)COC2=CC=C(C=C2)C=C3C(=O)NC(=O)NC3=O 1 -0.199 3 6 0 -15.3785096164684 1329429 CC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CN=CC=C4)C 1 3.045 3 3 -12.0526952230795 1329399 CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl 1 3.658 2 2 -6.71345928906982 1329373 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC=C4C(=O)CCCC4=O 1 4.06 2 2 1.91942217393983 1329356 CC1CCN(CC1)C(=O)CN(CC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)C 1 3.656 2 3 -14.8165380833249 1329317 COC1=CC(=C(C=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC 1 1.608 3 7 0 -15.6921281715296 1329268 C1CC(=O)N(C1=O)C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F 1 3.342 3 3 -5.12267514537109 1329258 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)C(=C(S2)NC3=CC=CC=C3)C(=O)OCC)OCC(=O)O 1 4.137 1 7 0 -13.7157493269515 1329168 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)O 1 5.589 2 3 -14.6643029432348 1329160 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 1 4.395 4 1 -2.73213521877956 1329154 CC1=C(C=CC=C1NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O 1 5.411 2 3 -13.1234942923897 1329150 COC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CO4 1 3.741 2 4 -21.8262173665079 1329134 CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN3CCCC3 1 4.845 1 1 4.88899146981429 1329133 CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)CN4CCCC4 1 3.248 3 3 -17.417903803578 1329105 COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O 1 4.288 2 4 -9.51293181271404 1329095 C1=CC(=CC=C1/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O)Cl 1 4.528 2 3 -5.76203200710426 1329086 C1CCC(CC1)N2C(=NN=N2)SCC3=CC=C(C=C3)N4C(=O)CCC4=O 1 2.825 5 2 0 -30.3142512555031 1329083 CC1=C(C(=CC=C1)C)NC(=O)COC2=CC=CC=C2C(=O)NC3=NC=C(C=C3)Br 1 4.344 3 3 -13.0015686685454 1329077 COC1=C(C=C(C=C1)COC2=CC=CC=C2C(=O)NC3=CC=CC=N3)[N+](=O)[O-] 1 3.448 3 5 0 -7.29314142029452 1329072 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C\3/C(=O)NC(=S)S3 1 3.992 2 2 1.31140704523959 1329041 CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CC3=CC=CC=C32)C(=O)O 1 4.79 2 3 -6.7443257366013 1329040 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CO4 1 3.708 2 6 0 -23.8552917159832 1329021 CC1=C(C=CC=C1NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)C(=O)O 1 4.94 2 3 -6.47954265552409 1329012 CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)OC 1 3.854 4 3 0 -11.8305600665844 1329000 CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)C(=O)O 1 5.751 2 4 -2.50008263010883 1328993 COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O 1 4.044 2 4 -11.6644190726849 1328988 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 1 4.533 2 3 -9.23204384931243 1328961 CSC1=CC=C(C=C1)S(=O)(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2 1 4.368 1 2 2.43482709587277 1328909 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NC(=NO4)C5=CC=CC=N5 1 4.556 4 1 5.06585893468242 1328901 C1=CC(=CN=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=C(C=C3)F 1 3.678 2 1 -4.03360971096381 1328875 CN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CC=C3 1 4.821 4 2 1.61091724974509 1328862 CC1=CC(=CC(=C1Br)C)OCC(=O)NCCN2CCOCC2 1 2.42 2 3 -10.5116490669404 1328846 CC1=C(C=CC(=C1)OC)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CC4=CC=CO4)C5=CC=CC=C5 1 6.455 3 3 3.96632222539712 1328787 COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.714 4 4 0 -8.27697797573178 1328791 COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.909 2 4 -15.9417350453695 1328825 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NCC3=CC=C(O3)C(=O)OC 1 2.299 4 4 0 -24.0217816844891 1328800 C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)Br 1 5.36 2 1 -7.07762276531816 1328767 C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O)Br 1 5.349 2 4 -4.60455466308404 1328762 CC1=C(C=CC2=C1OC=C(C2=O)C3=NC4=CC=CC=C4S3)OC(=O)N5CCOCC5 1 3.5 2 5 0 -0.876892258833713 1328746 CC1=CC(=CC(=C1Br)C)OCC(=O)N2CCN(CC2)C3=CC=CC=N3 1 3.818 3 2 -2.83172060275088 1328724 COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 5.249 2 5 0 -5.41571760961347 1328706 CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC3)NC(=O)CNCC4=CC=CO4 1 3.016 3 4 0 -21.854927577175 1328705 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3=CC=CO3)C)C 1 2.479 3 3 -24.3810580576955 1328700 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O 1 3.847 2 4 -7.99699690683522 1328639 CC1=C(C=CC(=C1)OC)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4 1 5.741 3 4 0 -2.64607120973818 1328595 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCOCC3 1 0.833 3 5 0 -15.8630653231527 1328586 CC1=CC=C(O1)/C=C\2/C(=O)N(C(=S)S2)CC3=CC=CC=C3 1 4.171 1 2 -4.06134845496964 1328564 C1CCC(CC1)CCC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 5.296 1 1 -3.80746748534209 1328539 COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)OC 1 4.027 2 5 0 -14.1742512208779 1328533 COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O 1 4.792 2 4 -10.3561251527126 1328530 CCOC(=O)C1CCN(CC1)C(=O)COC2=CC(=C(C(=C2)C)Br)C 1 3.476 1 4 -9.16933246544713 1328504 CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O 1 4.77 2 4 -14.5834637416196 1328431 CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)C(=O)O 1 4.477 2 4 -4.92362862391351 1328402 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 4.352 3 2 -6.51824727814471 1328384 CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)CN4CCN(CC4)C 1 2.744 4 3 0 -15.7238970395164 1328344 COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)CNCC4=CC=CO4 1 2.667 3 4 0 -17.9358438581365 1328337 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O 1 4.925 2 3 -13.6739123537387 1328317 C1=CC=NC(=C1)CCC2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3Cl)F)F 1 4.977 2 1 -4.17310462901493 1328288 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=CC=C2OCC3=CC=CC=C3 1 4.132 1 5 -10.2090464216513 1328217 CC1=C(C=CC(=C1)OC)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4 1 5.42 3 4 0 -3.33317061935757 1328214 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3Cl)F)F 1 3.54 2 2 -3.09482560150277 1328197 C1CCN(C1)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)NC4=CC=C(C=C4)Br 1 3.664 3 2 -15.8733754972404 1328171 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 4.026 3 2 -12.4606607079191 1328153 COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl 1 4.437 2 4 -9.39517763502873 1328142 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O 1 4.011 2 6 0 -15.2840657003062 1328122 CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3C 1 3.969 3 5 0 -12.5788805751789 1328119 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N3CCN(CC3)C 1 3.157 2 4 -15.5129336375753 1328065 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)Cl 1 2.502 2 4 -22.3676772029197 1328060 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OC2=CC=CC(=C2)C3=NC4=CC=CC=C4N=C3)OC 1 4.471 3 5 0 -10.1099846694378 1328059 CN1C2=CC=CC3=C2C(=C(C1=O)NC4=CC=C(C=C4)N(C)C)C5=CC=CC=C5C3=O 1 3.763 3 2 -1.6448109202137 1328056 CN1C(=O)C(=CC2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3)C(=O)N(C1=O)C 1 1.896 3 5 0 -12.6675977081111 1328006 CC1=CC(=C(C=C1)NC(=S)C2=NC3=CC=CC=C3N2)C 1 4.88 3 0 0.574414177755483 1327979 C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N 1 2.975 1 5 -11.8929230090706 1327919 CC1=C(C=CC(=C1)Cl)OCC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC 1 3.99 2 5 0 -3.21751138518323 1327917 C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)F 1 3.08 2 3 -16.1053222082518 1327906 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O 1 4.925 2 3 -13.7117012849249 1327903 COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)OC 1 2.451 2 5 0 -7.83639615892886 1327902 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3Cl 1 3.245 4 2 -18.7811369602528 1327901 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 2.462 3 3 -14.4320781062848 1327896 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=CC=CC(=C3)CCC4=CC=CC=N4 1 4.513 2 2 -2.4559644520411 1327887 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 2.932 3 4 0 -13.3947000190023 1327885 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4 1 1.989 2 5 0 -16.6848678623422 1327881 C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 5.026 1 5 -10.2378667350728 1327876 C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)Cl 1 5.508 1 4 -6.03077736969474 1327816 C1COCCN1CCNS(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl 1 2.56 2 3 -4.9807092517502 1327814 C1CN(CCC1C(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.531 2 3 -20.9003072060666 1327800 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=CO3 1 1.976 4 3 0 -18.3274507632693 1327783 C1CN(CCC1C(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC=CC=C3Cl 1 3.37 2 2 -2.18586881717353 1327762 CN1C(=NN=C1SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C3=CC=CC=C3 1 3.509 4 4 0 -5.56525133429218 1327711 COC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)NC3=CC(=C(C=C3)OC)OC 1 4.083 1 4 -3.94707833064168 1327702 CC1=C(C(=NN1S(=O)(=O)C2=CC=CS2)C)SC3=CC=CC=C3 1 3.964 2 2 -3.7744615809969 1327701 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3 1 2.414 4 3 0 -6.62613306831051 1327665 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3CCCCC3 1 3.043 4 2 -15.3338471201818 1327653 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCC5=CC=CC=C5C4 1 4.546 4 2 -6.30341717328377 1327634 COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4)OC 1 2.253 2 6 0 -9.77849291709113 1327626 C1CCCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.941 2 3 -17.6695505709495 1327610 C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=C(N2)C3=CC=CS3)C4=CC=CS4 1 5.2 3 2 -0.215925656128905 1327591 CC(C)CC12CN3CCN(C1)CC(C3)C2=NN=C4C5CN6CCN(C5)CC4(C6)CC(C)C 1 2.844 6 0 -4.67363152233775 1327590 COC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3)OC 1 2.468 2 4 -6.98848507791636 1327568 COC1=CC(=C2C(=C1)C=CC=N2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.396 2 3 -4.00695147671831 1327547 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(C)C 1 4.181 2 2 -3.69736195181722 1327541 COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.194 2 4 -19.9481737726842 1327534 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)Cl 1 2.367 2 4 -10.1295790802982 1327533 C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 4.56 2 4 -8.23394531383262 1327499 COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O 1 4.288 2 4 -9.69055864812188 1327487 CC1=CC=CC2=CC(=C(N=C12)N3CCOCC3)/C=C\4/C(=O)OC(=N4)C5=CC=CC=C5 1 4.374 3 3 -7.56038167350027 1327483 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)OC 1 5.113 3 3 -4.11103832189275 1327421 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCOCC3)OC 1 0.487 2 6 0 -23.2432208431528 1327416 C1=CC=C(C=C1)C2=NN=C(O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5 1 4.889 4 2 -18.2594984828564 1327366 C1CCN(CC1)CC(=O)NC2=CC=CC=C2NC(=O)CN3CCCCC3 1 1.917 4 2 0 -6.15164531195305 1327311 CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC 1 2.954 2 4 -5.15732501368524 1327321 COC1=CC=C(C=C1)/C=C(\C(=O)N2CCOCC2)/NC(=O)/C=C/C3=CC=CC=C3 1 2.339 2 4 -15.5943449656199 1327341 C1CN(CCC1C(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)F 1 0.726 2 4 0 -18.1081307625881 1327336 COC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F 1 3.018 2 3 -9.47263692906706 1327296 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.651 3 4 0 -12.6828229935371 1327257 CCC12CN(CC(C1=O)(CN(C2)C(=O)C3=CC=C(C=C3)C)CC)C(=O)C4=CC=C(C=C4)C 1 4.43 2 3 -8.27927387917127 1327235 COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4 1 2.27 2 5 0 -7.07692097763568 1327223 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.229 3 3 -7.27184371609863 1327166 COC1=C(C=C(C=C1)C2=NC(=C(N2)C3=CC=CS3)C4=CC=CS4)OC 1 5.273 2 2 -1.19949643293303 1327115 COC1=CC=CC(=C1)C2=CC3=C(S2)NC(=S)N(C3=O)C4=CC=CC=C4 1 5.298 2 2 -0.647362424728694 1327103 CC1=C(C2=CC=CC=C2C=C1)CN3C4=C(N=C3N5C=CN=C5)N(C(=O)N(C4=O)C)C 1 3.089 6 2 0 -10.099890785646 1327076 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O 1 4.914 2 3 -6.86913362449233 1327046 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=CN=C3)CC4=C(C=C(C=C4)Cl)Cl 1 3.023 6 2 0 -12.2451864152009 1326876 CC1=CC(=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=CC(=C(C=C2OC)Cl)OC)C 1 3.948 2 6 0 -11.6752626172014 1326869 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 4.211 3 5 0 -14.4512838512813 1326822 C1CN(CCN1C(=O)N2CCOCC2)C(=O)N3CCOCC3 1 -1.425 4 4 0 -5.5458231341548 1326706 C1CCN(CC1)C2=NC(=NC(=N2)SC3=CC=CC=N3)N4CCCCC4 1 3.934 6 0 -1.03505688777651 1326684 C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)Cl 1 5.508 1 4 -4.21949169493197 1326639 C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.048 3 4 0 -13.9351658809605 1326637 COC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3C4=CC=CC=C4N=N3)C5=CC=CC=C5 1 5.246 5 2 0 6.75338372705303 1326619 COC1=CC=CC(=C1)NC(=S)NCCC2=CC=CC=N2 1 3.392 3 1 -10.0845191963488 1326597 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)OC 1 3.412 4 4 0 -12.9803419032087 1326584 CC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC=CC=C2OC 1 2.805 1 3 -7.05747750134692 1326579 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=C(S3)Br 1 4.104 4 1 -3.81908412085544 1326526 CC1=CC=C(C=C1)N2C=C(C=N2)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)C 1 3.845 4 3 0 0.610929442284031 1326521 C1COCCN1CCN2C3=C(C=C(C2=N)C(=O)NCCC4=CC=CC=C4)C(=O)N5C=CC=CC5=N3 1 0.985 6 3 0 -25.9823738197246 1326475 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=N3 1 2.289 3 3 -21.1167313154353 1326396 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC(=C(C=C3)Cl)Cl 1 5.394 4 0 -5.84136824215105 1326389 COC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=C(C=CC(=C2)Cl)OC 1 3.613 1 4 -3.15745510713594 1326381 C1=CC=C(C=C1)C2=C(OC(=N2)NC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4 1 5.015 2 2 2.32318880789147 1326362 C1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.206 2 3 -18.1477209775139 1326357 COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.743 3 3 -3.86499840094679 1326340 COC1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NCCC3=CC=CC=C3 1 3.195 3 3 -22.7785898120734 1326327 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3 1 3.427 2 3 -16.7735409317134 1326324 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F 1 5.202 1 6 0 -14.0930865969509 1326317 COC1=CC(=CC(=C1OC)OC)C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.633 1 4 -15.3351614509397 1326313 C1CN(CCN2C1=NC3=CC=CC=C32)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl 1 3.84 3 2 -10.2615120732737 1326279 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl)C 1 4.229 4 3 0 -4.7634536874725 1326252 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=C(C4=CC=CC=C4S3)Cl 1 4.896 2 1 4.63874534053672 1326251 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC3=CC4=CC=CC=C4C=C3 1 3.748 2 5 0 -4.64539222796581 1326212 COC1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NCC3=CC=CO3 1 2.056 3 4 0 -24.5736425402055 1326196 CC(C)CC(=O)NC(=S)NC1=NC(=CS1)C2=CC=CC3=CC=CC=C32 1 4.856 3 1 -3.01757841053959 1326179 CCN1C2=C(C(C3=C1CCCC3=O)C4=CC(=C(C=C4)O)Br)C(=O)CCC2 1 3.738 1 3 -12.6473523076113 1326118 C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)NC(=S)NC(=O)/C=C/C4=CC=CO4 1 5.009 3 2 2.78456541765183 1326115 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CO3 1 1.282 2 5 0 -20.6091635416563 1326108 COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.252 2 5 0 -5.63161982406724 1326081 CC1=CC=C(C=C1)NC2=C(N(S(=O)(=O)C3=CC=CC=C32)C)C(=O)C4=CC=CC=C4 1 3.845 2 3 -0.475807465482693 1326073 COC1=CC(=C(C=C1NC(=O)CC(=O)NC2=CC(=C(C=C2OC)OC)Cl)Cl)OC 1 3.178 2 6 0 -7.1710781633641 1326052 CC1=C(C(=CC(=C1C)Br)C(=O)N2CCN(CC2)CCO)C 1 2.868 2 2 -0.625480128649215 1326034 COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC 1 2.468 2 4 -3.50136920102292 1326017 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC3)OC 1 1.996 2 5 0 -20.8422854726448 1326016 C1CN(CCC1C(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.185 2 4 0 -16.9980090974666 1325980 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.651 3 4 0 -14.4638209080111 1325965 C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 2.373 3 3 -14.6077846393867 1325905 C1CN(CCN1C2=CC=CC=C2F)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Cl 1 4.901 5 2 0 1.89175052055006 1325945 C1CCN(C1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl 1 5.973 1 2 -4.13146123813464 1325942 COC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 3.476 2 3 -8.3625152639455 1325899 CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.149 2 4 -13.2460744019316 1325895 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.755 2 4 -6.93739121373073 1325894 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4)OC 1 1.956 2 7 0 -20.3519091824271 1325875 CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3Cl 1 2.905 2 3 -6.54783840592509 1325865 C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)C(=O)O 1 5.265 2 4 -3.08828962264402 1325823 C1=CC=C(C(=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Cl)Br 1 4.966 2 2 -3.65709491308675 1325822 C1=CSC(=C1)C2=C(N=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4 1 5.2 3 2 0.236394346212515 1325819 C1COCCN1C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)F 1 4.741 1 3 -7.29433361575017 1325815 C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)OCC3=CC=C(C=C3)Cl 1 4.76 1 4 -6.94596482061395 1325807 CC1=CC2=NC(=C(C=C2C=C1)/C=C\3/C(=O)OC(=N3)C4=CC=CC=C4)N5CCOCC5 1 4.374 3 3 -4.93830692382412 1325794 C1CN(CCC1C(=O)NCC2=CN=CC=C2)C(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.685 3 2 -9.30904240791974 1325758 COC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 5.102 2 5 0 -10.1336899592225 1325708 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)OC 1 3.298 2 3 -11.9032515533399 1325707 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])C#N 1 4.762 3 4 0 -15.7185264340109 1325691 C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=S)N=CN4)N5CCOCC5 1 3.753 4 1 -8.15985851757922 1325635 CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)CN5CCCC5)O 1 5.026 2 5 0 5.36060649459744 1325582 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3)C(=O)O 1 1.699 1 7 0 -9.67830511632271 1325560 C1CC2=C(C1)SC3=NC(=NC(=C23)N)SCC(=O)NCCN4CCOCC4 1 1.78 5 2 0 -19.9407993169351 1325504 CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)COCC(=O)O)C3=NC4=CC=CC=C4N3C)OC(=O)C(C)(C)C 1 4.766 2 7 0 -5.68008342617047 1325453 C1CN(CCN1CC2=CC=C(C=C2)F)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)F 1 5.283 4 0 6.79780998130227 1325444 CCOC1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F 1 3.513 2 4 -4.1114346671838 1325433 COC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC4=CN(N=C4)C5=CC=CC=C5 1 4.301 2 6 0 -2.2792712753461 1325425 COC1=C(C=CC(=C1)CC=C)OCC(COC2=C(C=C(C=C2)CC=C)OC)O 1 4.918 0 5 -9.79739005131192 1325401 CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC(=C(C(=C3)OC)OC)OC 1 5.44 0 6 -8.27576779660414 1325393 CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F 1 3.342 3 3 -5.59353168494429 1325392 CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F 1 3.342 3 3 -5.59353168494429 1325387 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC3=CN(N=C3)C4=CC=CC=C4)OC5=CC=C(C=C5)C(=O)OC 1 4.815 2 6 0 -0.750300191358328 1325383 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC(=C(C(=C3)OC)OC)OC)CCC(=O)O 1 3.945 0 8 0 -14.7803830102077 1325325 COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)OCO3 1 2.167 1 7 0 -6.03454636943223 1325343 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl 1 3.766 2 3 -4.995356061776 1325285 C/C(=C\1/C(=O)N(C(=S)S1)CCC(=O)O)/C2=CC=C(C=C2)OC 1 3.206 1 4 -12.6447446878626 1325284 C/C(=C/1\C(=O)N(C(=S)S1)CCC(=O)O)/C2=CC=C(C=C2)OC 1 3.206 1 4 -12.6447446878626 1325281 CC1=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)N=CC2=C(N1C5=CC=CC=C5)C 1 3.463 4 1 -1.17306825634232 1325216 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F 1 3.648 2 3 3.90453200747217 1325215 C1=CC=C(C=C1)/C=C/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F 1 3.648 2 3 3.90453200747217 1325159 CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C 1 2.172 3 4 0 -17.147413894242 1325150 CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCCC(=O)O)C3=NC4=CC=CC=C4N3C)OC(=O)C(C)(C)C 1 5.923 2 6 0 -7.49725962465388 1325129 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)OCO3 1 2.669 1 6 0 -5.14333944516874 1325115 CCOC(=O)C1=C(OC2=CC(=C(C(=C21)C=O)O)Br)C3=CC=CC=C3 1 4.413 0 5 4.19320735671809 1325092 CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CC=C3)CC4=CC=CC=C4 1 5.713 0 4 -13.3052194321364 1325091 C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=O)N4C=CC=CC4=N3)C=O 1 2.415 4 2 -2.30966394606004 1325056 COC1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)OC 1 2.768 3 4 0 -16.276346942954 1325000 C1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O 1 3.678 1 4 -9.60783554995887 1324908 CNC(=S)NCCC(C1=CC=CC=C1)C2=CC=CC=C2 1 4.302 2 0 -14.1106099611471 1324890 CC1=CC(=C(C=C1)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C 1 7.129 2 0 -14.4390289087743 1324874 C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)N(CC3=CC=CO3)C4=CC=C(C=C4)O 1 2.322 3 4 0 -6.87683683383991 1324870 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC(=O)O)C3=CC=C(C=C3)F 1 1.996 1 6 0 -15.5634092945179 1324868 C1COCCN1C(=O)C2=CC=CC=C2OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 3.328 2 5 0 -5.73562922361857 1324867 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)C3=CC=CC=C3 1 2.658 2 4 -12.2330893941389 1324829 COC1=C(C(=C(C(=C1)C(=O)NCC2=CC=CO2)Br)OC)OC 1 2.502 1 5 -11.4709871510982 1324805 C1CCN(C1)C(=S)C2=CN(C3=CC=CC=C32)CCOC4=CC=CC=C4 1 5.26 2 1 -7.64463079817758 1324795 COC1=CC(=C(C=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)OC 1 2.768 3 4 0 -16.5540660020779 1324776 CCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC 1 3.222 4 6 0 -20.5298390283084 1324770 COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3 1 4.711 3 1 -6.6856488584705 1324653 C1CCC(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.93 2 3 -20.4528532109271 1324642 COC1=CC(=CC(=C1)C2=NC(=NO2)C3=CC=C(C=C3)Br)OC 1 3.86 2 3 5.86117795028042 1324594 CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C 1 4.823 5 3 0 -6.65407283253028 1324553 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OC(=O)C4=CC=CS4 1 5.233 0 5 -3.4146413002552 1324508 C1CCN(C1)C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl 1 4.928 3 3 -3.49326787437574 1324506 CC1=CC=CC=C1OCC(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.781 0 4 -6.47750964699352 1324479 CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC(=O)NCCC3=CC=CC=C3 1 3.498 3 3 -20.3929059777517 1324449 COC1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3)OC 1 3.366 2 4 -8.74655761305571 1324435 CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C)C=NN4C=NN=C4 1 3.984 5 1 0.225801547139169 1324395 CC(C)COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC(F)F 1 5.153 1 2 -8.22113602850622 1324355 C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 1 6.591 2 1 -2.18335965532079 1324346 CC1=C(C(=CC=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C 1 5.329 3 2 -5.2255663924218 1324283 COC1=CC(=C(C=C1)OC)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N 1 2.768 3 4 0 -14.646698123411 1324282 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC(=C(C=C3)Cl)C 1 3.489 4 4 0 -14.2509202843413 1324253 CC1=C(C(=O)OC2=C1C=CC(=C2C)OC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F)C 1 5.675 1 5 -1.11460193043543 1324234 CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4)[N+](=O)[O-] 1 4.841 3 5 0 2.88475994401814 1324206 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3)C(=O)O 1 2.127 2 6 0 -7.20120311284563 1324165 CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4)CN(C)C)O 1 5.039 3 3 12.6262134983687 1324162 C1=CC=C2C(=C1)/C(=C\3/C(=O)N(C(=S)S3)CCC(=O)O)/C(=O)N2CC4=CC=C(C=C4)F 1 3.686 2 4 -9.90596657980856 1324119 CC1=CC=C(C=C1)C2=NC(=C(O2)NCCC3=CC(=C(C=C3)OC)OC)C#N 1 4.251 3 3 -2.52188712419379 1324089 C1COCCN1CCNC(=S)NC(=O)C2=CC=CC=C2Br 1 2.486 3 2 -11.6183794002195 1324005 CCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)COC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 4.561 2 5 0 -6.28312966744099 1323952 CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3 1 4.475 3 2 -9.41495877554669 1323925 CC1=C(C=CC=C1Cl)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 4.272 3 2 -11.2655882504446 1323887 CC1=C(C=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C(=S)N4CCCC4)C 1 6.232 2 1 -7.17389577436208 1323882 COC1=CC(=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)Cl)OC 1 5.048 2 2 -9.18636078241883 1323833 COC1=C(C=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 2.199 2 5 0 -10.9043503146253 1323790 COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 1.429 3 7 0 -15.1607189667806 1323787 C1=CC(=CC(=C1)Br)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O 1 3.762 4 2 -17.8323878424523 1323784 CC1=CC=C(C=C1)C(=O)COC2=CC=CC=C2N3C(=O)C4=CC=CC=C4C3=O 1 4.164 1 4 -9.51226487665789 1323774 CC1=C(C=CC=C1Cl)NC(=S)N2CCC(CC2)(C(=O)N)N3CCCCC3 1 4.15 4 1 -10.5761432369467 1323703 CC1(CN=C(S1)N2CCN(CC2)C3=C4C5=C(CCCC5)SC4=NC=N3)C 1 4.276 5 0 -8.77793968239628 1323684 CCOC1=CC=C(C=C1)CN2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5 1 5.205 4 1 5.25854612088721 1323679 CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=NN3C=NN=C3)OC 1 2.134 5 3 0 -9.30218401316002 1323644 CC1=C(C=CC(=C1)Cl)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 5.507 3 2 -6.40084944319713 1323630 COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)C(C(F)(F)F)(F)F 1 3.322 0 5 -5.08748937723315 1323623 COC1=CC(=C(C=C1)OC)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 6.124 2 2 -14.3379982373093 1323610 CC1=C(C(=CC=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N)C 1 4.094 3 2 -11.5152679936722 1323602 C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N(CC3=CC=CS3)C4=NS(=O)(=O)C5=CC=CC=C54 1 5.157 2 4 -11.1079920017047 1323594 CC1=C(C=CC(=C1)Cl)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N 1 3.951 3 2 -12.0145735725445 1323586 CC1=C(C=CC(=C1)Cl)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 4.272 3 2 -12.5507131402259 1323579 CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)NC3=NC4=C(C=C(C=C4)OC)C(=N3)C 1 4.012 5 2 0 -5.0758078894761 1323570 C1CN(CCN1CC2=CC=C(C=C2)F)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5 1 5.078 4 0 7.14961250720462 1323538 CC1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)Br)C(=O)OC 1 3.612 2 3 -7.32523834934009 1323502 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)F 1 3.151 2 5 0 -17.4940973324298 1323450 CC1=CC(=C(C=C1)C)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 4.094 3 2 -14.3001689492733 1323359 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=CC=C4 1 4.049 3 3 -14.8587326890868 1323325 CC1=CC(=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N)C 1 4.094 3 2 -15.2838683625573 1323304 COC1=CC(=CC(=C1)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)OC 1 6.124 2 2 -15.9676470568524 1323219 CC1=CC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.007 2 3 -20.1898276801355 1323207 C1CCN(CC1)C2(CCN(CC2)C(=S)NC3=CC=C(C=C3)F)C(=O)N 1 3.205 4 1 -12.680710778374 1323161 CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C 1 5.329 3 2 -9.13400466552856 1323145 CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 5.507 3 2 -4.97588664919428 1323136 COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C=NN3C=NN=C3)OC 1 1.632 5 4 0 -12.2992907051346 1323075 COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3 1 4.711 3 1 -7.73100435892235 1323001 CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F 1 4.743 1 5 -2.46109206257103 1322950 CC1=CC(=CC(=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N)C 1 4.094 3 2 -13.9147311038774 1322857 C1COCCN1C2=CC=C(C=C2)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F 1 2.702 3 4 0 -3.06966851699 1322817 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4 1 4.005 3 3 -19.104995900391 1322799 CS(=O)(=O)N(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CC=C2F 1 1.683 3 5 0 -16.8657050820031 1322794 CCOC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)CC3=CC=C(C=C3)F 1 5.133 1 3 -12.6075969861229 1322793 C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)CSC3=CC=CC=C3 1 2.883 2 2 -12.9172933645783 1322784 C1=CC=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O 1 2.348 1 4 -6.41232922443869 1322777 CN(C)C1=NC=C(C=N1)/C=C\2/C(=O)NC(=S)N(C2=O)C3CCCCC3 1 2.112 5 2 0 -6.85203241360677 1322771 CSC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 1 4.888 2 1 -4.89164851791152 1322742 CC1=CC=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C 1 1.97 3 5 0 -18.7048715884462 1322731 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.476 5 3 0 -7.16999127298299 1322716 CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 2.585 4 5 0 -14.1575684020088 1322695 CC1=CC(=C(C=C1)NC2=NC3(CCCC3)N=C(N2)N)C 1 2.866 5 0 5.09269449836527e-002 1322682 COC1=CC=CC=C1NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.893 2 4 -14.5262048929704 1322671 CC1=CC=CC=C1C2=NNC(=S)N2CC3=CC=CC=C3 1 4.171 3 0 -0.618961820026486 1322670 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=CC=C3Br 1 4.957 4 0 -3.16133155618196 1322658 CCN(CC)C(=O)NC1=CC=C(C=C1)C(=O)OCC 1 2.054 2 3 -8.80560201589362 1322556 COC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)Br 1 4.827 2 1 -6.95560870427107 1322511 C1COCCN1C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=C(C=C3)Br 1 2.531 3 5 0 -21.1003614624458 1322418 CC1=CC(=C(N1C)C)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3F 1 2.58 3 3 -8.89782326940828 1322381 C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=NN=C(S3)C4=CC=CC=C4)Cl)Cl 1 3.147 4 4 0 -17.5346529932879 1322375 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)CC(=O)NCC3=CC=CC=N3 1 2.986 3 3 -20.9397057507483 1322336 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC(=CC=C3)OC)CC4=CC=CC=C4 1 5.831 0 4 -6.81862721176811 1322325 CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=NC=C4 1 2.121 6 1 0 -9.62716725964722 1322321 C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5=CC=CC=C5N4 1 4.5 5 1 -9.03706210663262 1322301 COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C3=CC=C(C=C3)F 1 3.152 2 6 0 -13.8177158160585 1322286 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3 1 3.176 4 3 0 -14.0820178982074 1322277 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)OC 1 5.888 3 3 -14.9298504579637 1322197 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NCCC(C)C 1 6.587 3 0 -3.64740552024411 1322187 COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3 1 3.685 1 5 -8.33224780045912 1322177 CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=C(OC(=C3)C(=O)OC)C)C 1 3.446 0 7 0 -11.368943093208 1322169 C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3F 1 3.044 3 2 -15.4746699007066 1322134 C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NCC5=CC=CO5 1 4.808 3 3 -36.5398125629844 1322118 CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)Cl 1 3.622 3 3 -12.2514690765929 1322110 COC1=CC=CC=C1C(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3 1 3.533 2 2 -5.72546208546237 1322096 CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC=C(C=C3)F)OCC(=O)O 1 3.993 0 5 -3.97327346939283 1322069 CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=C(C=C3)F)OCC(=O)O 1 4.652 0 5 -0.268865207763491 1322062 CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(N1CC3=CC=CC=C3)C(F)(F)F 1 3.172 3 2 -5.4041775876483 1322053 COC1=CC=CC(=C1)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 6.14 2 1 -12.8347826922456 1322017 COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3F)Cl)O 1 3.396 2 5 0 -6.63385012721919 1322008 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC4=C(C=CC(=C4)[N+](=O)[O-])OC 1 5.309 1 6 0 -0.822918080067464 1321983 CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C 1 5.002 1 4 -10.2149101246839 1321974 C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.151 4 2 -13.1183967955814 1321862 CC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C(=S)N4CCCC4 1 5.746 2 1 -6.81797850278286 1321801 C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O 1 4.029 2 4 -7.93917965309086 1321784 CS(=O)(=O)N(CC(=O)N1CCCC1)C2=C(C(=CC=C2)Cl)Cl 1 2.002 2 3 -13.7159181028391 1321754 CN(C)C1=CC=C(C=C1)N2C(=O)CSC2=S 1 2.889 2 1 -5.0028466317522 1321753 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCCC3=CC=CC=C32 1 3.77 1 4 -6.91265899303442 1321747 CC(C)(C)C1=NN=C(S1)NC(=O)CC2=CC=C(C=C2)Br 1 3.678 3 1 -7.9053790547045 1321727 C1COCCN1C(=S)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Br 1 5.186 2 1 -7.83005734616751 1321695 COC(=O)C1=C(C=CC(=C1)Br)C2=CC=C(O2)C=NN3C(=NN=N3)N 1 2.389 6 3 0 -5.57566615174413 1321687 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.965 3 4 0 -8.63094862141591 1321677 CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CN4CCOCC4 1 4.987 2 2 -9.45821993964976 1321663 C1CN(CCN1C2=CC=CC=C2F)C(=O)/C=C/C3=CC4=C(C=C3)OCO4 1 3.314 2 3 -1.61542965946147 1321657 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3Br 1 3.777 2 4 -8.46290839059022 1321646 CCN1C(=O)C(=CC2=CC=C(C=C2)N3CCCCC3)C(=O)N(C1=S)CC 1 3.952 3 2 -1.7185389527792 1321645 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CCCC2)C3=CC=CC=C3OC 1 3.455 2 4 -18.2549446439845 1321624 CC1=CC=C(C=C1)S(=O)(=O)N=C(CN2CCOCC2)N3CCCC3 1 0.986 3 3 0 -8.98119144614797 1321611 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCSC2=CC=C(C=C2)Cl 1 4.262 1 3 -9.11409891575648 1321588 COC1=C(C=C2CCCCC2=C1)NC(=O)C3=CC(=CC=C3)Br 1 4.859 1 2 -9.14344612113053 1321581 C1COCCN1C(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.161 2 4 -8.34985205247657 1321526 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=N3 1 3.788 3 2 -5.90903430289088 1321523 CCOC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C 1 1.771 2 6 0 -23.4042480551967 1321510 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 3.203 2 4 -4.39754625470316 1321502 CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C 1 2.562 5 3 0 -19.0360678524657 1321494 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)CN4CCOCC4 1 2.84 3 2 -0.615966256123775 1321464 COC1=C(C(=CC(=C1)C=NO)Br)OCC2=CC(=CC=C2)Cl 1 4.62 1 3 4.45462358459634 1321408 CC(C)(C)C1=NN=C(S1)NC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 3.314 3 4 0 -10.362967572391 1321377 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CN=CC=C3 1 3.249 3 2 -6.66799030402136 1321373 CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC4=CC=C(O4)C(=O)OC 1 4.715 0 6 -13.1768832369011 1321364 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C/3\C(=O)N(C(=S)S3)C 1 4.198 2 2 -5.99207068524824 1321363 CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3 1 5.061 1 2 -9.69907203257719 1321319 C1C(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)Br 1 2.078 2 3 -15.6367327250499 1321268 C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC(=C3)C(=O)O 1 4.029 2 4 -7.97696858427706 1321249 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3 1 5.053 3 4 0 -4.803040810308e-002 1321247 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=NC=CS3 1 3.396 3 2 -7.868387913244 1321236 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2 1 1.703 2 4 0 -12.8747429962012 1321207 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 4.264 2 5 0 -8.95093956269374 1321203 C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=CC=C5 1 4.376 4 2 -5.51566607196324 1321194 COC1=CC=CC=C1CC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CC=C3)OC 1 3.385 2 5 0 -15.4143373106266 1321151 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=C(C=CC(=C2)OC)OC)S(=O)(=O)C 1 1.892 2 7 0 -20.0554415035644 1321147 C1CC(CCC1C(=O)O)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl 1 4.562 1 4 -13.8177161904097 1321107 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 1 4.688 2 3 -12.7844369713153 1321088 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.597 2 1 3.00067626312767 1321081 CC1=CN=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=S)N(C3=O)C)C)C 1 3.217 4 2 -4.10114037078592 1321073 COC1=C(C(=CC(=C1)C=NO)Br)OCC2=CC=C(C=C2)Cl 1 4.62 1 3 4.32595142515938 1321065 C1=CC=C(C=C1)C(=O)NN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O 1 2.428 2 7 0 -19.8592964851081 1321049 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=CC=CC=C2C(F)(F)F 1 3.975 1 4 -7.39534268751118 1321032 C1CN(CCN1C2=CC=CC=C2F)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 3.441 3 3 -2.37565016615131 1321014 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 3.129 3 5 0 -10.7277124361632 1321013 C1COCCN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4 1 4.501 2 2 -6.62283247403597 1321007 C1=CC=C(C=C1)SCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.041 2 3 -14.5859003868753 1320984 COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NS(=O)(=O)C 1 1.493 2 5 0 -13.0943430039639 1320981 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 4.954 3 2 -8.04917691176197 1320969 C1=CC=C(C=C1)CN2C=CN=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 5.003 3 2 -0.128352613863513 1320910 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=CC=C3C(F)(F)F 1 4.524 4 1 -4.41292570897596 1320902 CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC4=C(OC(=C4)C(=O)O)C 1 4.1 0 6 -8.420634210862 1320859 C1=CC=C(C(=C1)C(=O)N)NC(=S)NC(=O)C2=CC=C(O2)Br 1 2.731 3 3 -11.4905237882389 1320846 C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=C3C(=O)O 1 4.029 2 4 -9.65339719408009 1320823 CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 1.8 3 6 0 -24.809117525538 1320816 CC(C)NC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 2.911 3 4 0 -17.9191490043286 1320797 COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CCC3=CC=CC=C3 1 3.857 2 4 -16.0144032170728 1320771 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.926 4 4 0 -15.1881649975371 1320720 COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)C(F)(F)F)[N+](=O)[O-])OC 1 2.299 4 5 0 -12.3880130603964 1320694 CC(C)CCNC(=S)NC1=CC=C(C=C1)Br 1 4.841 2 0 -11.7265049935514 1320686 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3 1 4.025 3 2 -17.7834593816352 1320635 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)COC3=CC=C(C=C3)Cl 1 4.315 2 2 5.42014906621288 1320633 C1COCCN1CCNC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 2.843 3 2 -5.87039727274934 1320621 COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CC3=CC=C(C=C3)Br 1 4.149 2 4 -12.7062412270331 1320602 CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=C(C(=CC=C2)Cl)Cl 1 2.914 2 3 -14.0703866170072 1320594 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)Br 1 2.627 4 3 0 -11.2220327507577 1320583 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=NC4=CC=CC=C4S3 1 5.025 3 2 -3.79757843968219 1320559 CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 5.12 2 3 -12.173955511394 1320547 CC1=CC(=CC=C1)OCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)COC3=CC=CC(=C3)C 1 3.672 2 6 0 -8.29025951733409 1320521 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.386 3 5 0 -19.1248799159282 1320485 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)O 1 2.796 2 6 0 -11.9304505661394 1320470 CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.337 5 3 0 -11.1530084945646 1320468 CC(=NN1CCN(CC1)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.732 4 2 2.75441218748974 1320461 CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CO3)N4CCCCC4 1 4.36 3 3 -3.77670386596827 1320458 CC(C)(C)N(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.642 2 3 -7.3955067196784 1320448 CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)S(=O)(=O)C 1 2.657 3 3 -16.5202708189165 1320432 C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.93 3 6 0 -15.6576840329941 1320416 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 2.876 4 4 0 -4.39761028852102 1320284 CC1=CC(=CC=C1)CN2C3=CC=CC=C3N=C2CC4=CC=CC=C4 1 5.58 2 0 -1.26041963619522 1320268 CCOC(=O)C1=CC=CC=C1N2C(=O)CSC2=S 1 2.931 1 3 -6.33201715273776 1320248 CS(=O)(=O)N(CC(=O)N1CCC2=CC=CC=C2C1)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.765 3 5 0 -18.8332764763359 1320228 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.965 3 4 0 -8.59821298803334 1320178 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O 1 3.559 2 5 0 -9.18582555029592 1320167 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC(=CC=C3)F 1 4.021 2 1 5.335508932612 1320157 COC1=C(C=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.84 2 4 -16.7178706927849 1320138 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NN=C(S3)CC4=CC=C(C=C4)OC 1 3.578 4 3 0 -15.5450129170551 1320113 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC=CC(=C3)C(F)(F)F 1 5.008 4 0 -3.19303857226452 1320100 CC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 2.773 1 5 -10.800821459059 1320084 CC(C)(C)C1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 2.757 4 5 0 -13.1207845057234 1320069 C1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O)NC(=O)C4=CC=CC=C4 1 3.813 3 5 0 -8.33796975949547 1320054 CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)C(=S)N3CCOCC3 1 4.757 2 1 -5.35733857083019 1319993 CC(C)(C)N(CC1=CC=CC=C1)C(=O)CCC2=CC=CC=C2 1 4.249 1 1 -6.51347997630329 1319970 CC1=C(C=C2C(=C1)C(=CC(N2C(=O)CSC3=NN=C(S3)N)(C)C)C)C 1 3.705 4 1 -13.8738099576149 1319968 C1CCC(CC1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)C5CCCCC5 1 2.97 5 2 0 -21.7014627686574 1319945 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CC=C4)C(=O)NC5CCCCC5 1 3.142 5 2 0 -19.2380609080462 1319933 COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)Br 1 3.713 2 3 -9.55134679766484 1319901 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)CC3=CC=C(C=C3)Cl 1 3.728 2 4 -10.06702559811 1319898 CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)N(C(=S)N(C3=O)C)C 1 2.191 4 2 -4.77528311208844 1319878 CC1=C(N=C(S1)N(C2=CC=C(C=C2)C(=O)O)C(=O)CCC3=CC=CC=C3)C4=CC=CC=C4 1 5.607 2 3 -4.88739586772687 1319814 CN1CCN(CC1)C(=S)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N 1 3.163 7 0 0 -3.1039440111761 1319793 CN1C(=NN=C1SCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CS4 1 4.617 4 1 -18.730960370059 1319777 C1COCCN1CCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3 1 1.543 4 5 0 -15.2949627960814 1319732 CCC1=CC(=C(S1)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)C(=O)O 1 3.278 1 5 -11.6742942088395 1319728 CCCC(=O)N(C1=CC=C(C=C1)C(=O)O)C2=NC(=C(S2)C)C3=CC=CC=C3 1 4.575 2 3 -6.93664039130187 1319718 COC1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)CC3=CC=C(C=C3)OC 1 3.066 2 6 0 -9.89034020962632 1319709 CC1=CC=C(S1)/C=C\2/C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F 1 3.279 2 3 0.691163731777809 1319707 CC1=CC=C(S1)/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F 1 3.279 2 3 0.691163731777809 1319701 CC1(CC(=CC(=O)C1)NCCN2CCN(CC2)C(=S)NC3=CC=C(C=C3)F)C 1 3.878 4 1 -23.0695550856785 1319695 C1CCN(CC1)CCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 4.19 2 2 -4.96168561932854 1319658 CC1=CC(=NC(=N1)N(C#N)S(=O)(=O)C2=CC=C(C=C2)Br)C 1 2.511 4 2 -4.39581173907988 1319652 C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C54)NC2=S 1 5.534 3 2 -16.6356411908909 1319649 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=C(C=C2)Br)F 1 1.581 2 3 0 -7.6232034512724 1319645 C1CCC(C1)(C2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3 1 4.397 1 1 -9.7164142738381 1319630 C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC=CC=C4 1 3.178 4 2 -16.3005743148 1319586 CCOC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2C(=O)NCC(C)C)S(=O)(=O)C 1 2.315 3 5 0 -26.352113659718 1319582 CC(C)C1=CC(=C(C=C1)OCC(=O)NC2CC(NC(C2)(C)C)(C)C)Br 1 3.555 2 2 -11.7909810675114 1319569 CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)Cl 1 4.68 3 2 -14.2937351190657 1319563 CC1=CC(=C(C=C1)N(CC(=O)NC2=CC=CC=C2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C 1 5.65 2 3 -9.16099180346725 1319561 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 3.693 2 4 -10.2325994144986 1319544 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C 1 4.502 3 2 -18.515154901407 1319515 CC1=CC(=O)N=C(N1)SC2=C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4 1 3.15 3 2 -12.0352686489296 1319508 CC(=O)NC1=CC=C(C=C1)NC(=O)CN(C2=CC=CC=C2Cl)S(=O)(=O)C 1 1.368 3 4 0 -17.5512515900773 1319506 C1=CC(=CC(=C1)CSC2=NNC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)O 1 5.12 3 2 -2.38753435692489 1319493 C1=CC=C2C(=C1)N=C(S2)NS(=O)(=O)C3=CC=C(S3)Br 1 3.297 2 2 2.04692344431379 1319487 CN(C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C 1 1.587 2 5 0 -12.6165355364004 1319484 C1COCCN1C(=S)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N 1 2.688 6 1 0 -8.29780799965904 1319471 CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C5=CC=CO5 1 4.859 4 2 -5.44716196334698 1319436 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NC4=CC=CC=C4C(=O)NCC5=CC=CO5 1 5.351 3 5 0 -21.6504660220742 1319426 COC1=CC=CC=C1NC(=O)CSC2=NN=NN2CC3=CC=CC=C3 1 2.427 5 2 0 -26.9543737751561 1319415 CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3 1 4.269 4 2 -12.8565883508137 1319395 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br 1 2.167 2 4 -19.668526710543 1319393 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 2.65 2 5 0 -8.55852630616145 1319379 CC1=CC=C(C=C1)CNC(=O)COC2=CC=C(C=C2)S(=O)(=O)NC(C)C 1 2.58 2 4 -19.3533437826039 1319369 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)OC 1 1.942 2 6 0 -22.445335964598 1319334 C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.923 3 6 0 -13.552480323125 1319308 CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.626 1 6 0 -13.420938577188 1319300 COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O)OC 1 3.031 2 6 0 -16.1539862386733 1319262 CCC1=CC=CC=C1N(CC(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)C 1 2.99 3 3 -11.1983406692052 1319255 C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O 1 3.608 2 5 0 -10.8910885152915 1319244 C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)OCC(=O)O 1 2.97 2 6 0 -19.3807868372143 1319239 COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4 1 5.481 4 3 0 -11.6921260532842 1319233 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=CC(=C2)[N+](=O)[O-] 1 2.744 3 5 0 -16.3535162111236 1319216 C1=CC=C2C(=C1)N=C(O2)SCCS(=O)(=O)C3=NC4=CC=CC=C4S3 1 4.239 2 3 -5.45972729013551 1319211 CC1=CC(=CC(=C1)CSCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C 1 3.865 2 4 -13.2807848732522 1319207 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)OC 1 4.974 3 3 -19.9074056988295 1319196 CN(C1=CC=CC(=C1)NC(=O)CCSC2=CC=CC=C2)S(=O)(=O)C 1 2.373 2 3 -9.99213338881806 1319184 CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)S(=O)(=O)C)C 1 4.165 3 6 0 -15.8655671514299 1319173 CN(C1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C 1 1.698 2 5 0 -13.6181485983407 1319172 COC1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=CC=C(C=C3)O)CCC(=O)O 1 3.505 2 5 0 -5.5925410235413 1319159 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br 1 2.914 2 3 -10.5186946621515 1319156 C1CN(CCN1C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 1.601 4 5 0 -7.50147365607314 1319149 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 2.879 2 5 0 -12.4498272551661 1319133 C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC=CO3)NC(=O)C4=CC=C(C=C4)F 1 3.144 4 3 0 -11.8912063454167 1319117 COC1=CC=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.433 2 5 0 -4.42306905271906 1319103 COC1=C(C=C(C=C1)C2N(CCN2CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-] 1 5.105 3 3 -5.4467547149071 1319087 CCOC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)C 1 1.889 3 6 0 -27.7902020984998 1319072 C1=CC(=CC=C1C2=CC=C(N2NC(=O)C3=CC=C(C=C3)O)CCC(=O)O)Cl 1 4.186 2 4 -3.35757612381035 1319039 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=CC=C3OC)CC(=O)O 1 4.007 0 6 -8.51441111116628 1319037 CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CCSC2=CC=CC=C2 1 3.656 2 2 -15.2574974568592 1319018 CC(C)C1=CC(=C(C=C1)OCC(=O)N2CCCCCC2)Br 1 4.395 1 2 -5.32325101533763 1318990 COC(=O)C1=CC=CC=C1NC(=O)CSCC(=O)NC2=CC=CC=C2 1 1.923 2 4 0 -14.6553919710785 1318959 CC1=C(C=CC=C1Cl)NC2=NC(=NC(=N2)N)CSC(=S)N3CCOCC3 1 3.838 6 1 0 -5.76077905282021 1318941 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CCC3=CC=CC=C3 1 3.403 3 3 -14.6193804420121 1318940 COC1=C(C=C(C=C1)N(CC(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)C)Cl 1 2.773 2 4 -12.1996522827565 1318935 CC(=O)NC1=NN=C(S1)SCC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3 1 3.426 3 2 -10.3602017001591 1318934 CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 5.545 3 2 -17.4005228882196 1318929 COC1=CC=CC(=C1)N(CC(=O)NC2=CC(=CC=C2)F)S(=O)(=O)C 1 1.772 2 4 0 -11.1911925605562 1318927 C1CCC(CC1)C2=NNC(=S)N2N=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 4.768 5 2 0 -4.00344191918154 1318925 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)Br 1 2.544 4 3 0 -19.5432665211932 1318904 C1=CC(=CC(=C1)Cl)C2=NN(C=C2C=C3C(=O)NC(=S)NC3=O)CCC(=O)O 1 2.754 4 4 0 -4.27260208838374 1318896 C1CCN(CC1)C(=S)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N 1 3.917 6 0 -6.72951154988346 1318887 CCOC(=O)C1=CC2=C(N(C(=C2C=C(C1=O)C(=O)OCC)C)C3=CC=C(C=C3)N(C)C)C 1 3.988 2 5 0 -5.83482151002225 1318862 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3 1 4.211 2 4 -7.59960690498533 1318861 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CCCC2)C3=CC=CC=C3OC 1 2.952 2 5 0 -18.4991380042192 1318798 CN(C)C1=NC(=NC(=N1)OC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3)N(C)C 1 2.645 6 4 0 -11.859021476596 1318744 CC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C 1 1.501 3 5 0 -28.309392788447 1318665 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC(=C(C=C3)Cl)Cl 1 4.911 4 1 -3.70934723751241 1318662 CC1=C(C(=CC=C1)C)NC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C 1 2.539 2 4 -18.0609341020642 1318639 CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)C 1 5.318 2 1 -5.89755930046276 1318606 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC=CC=C3OC4=CC=CC=C4 1 4.639 2 2 -0.768755750021629 1318591 CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3C(=O)O)N4CCCCC4 1 4.594 3 4 0 -5.8359878130952 1318583 COC1=CC(=C(C=C1)OC)C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 3.549 4 3 0 -6.13115693897439 1318547 CC1=CC(=C2C(=O)NC(=O)NC2=O)C=C(N1CC3=CC=CC=C3)C(F)(F)F 1 2.273 3 3 -7.33469969450409 1318538 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1)C2=C(C(=CC=C2)Cl)Cl 1 2.912 2 3 -13.4713183743947 1318439 CCC(=O)N1CCN(CC1)C2=NC(=C3CCCCC3=C2C#N)C4=CC=CC=C4 1 3.983 4 1 -8.71214871207724 1318386 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)OC 1 1.942 2 6 0 -18.4231545164304 1318371 COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CC3=CC=C(C=C3)F 1 3.606 2 4 -12.3597031470532 1318357 C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Br 1 3.958 1 2 -6.44109464968162 1318356 CC1=C(C=CC(=C1)N2CCCCC2)C=C3C(=O)N(C(=S)N(C3=O)C)C 1 3.741 3 2 0.842451767882091 1318352 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)OC 1 2.509 2 4 -10.5901683003611 1318332 C1=CSC(=C1)C2=CC=C(N2NC(=O)C3=CC=C(C=C3)Cl)CCC(=O)O 1 4.381 2 3 -8.40445563383308 1318327 CC1=CC=C(C=C1)N(CC(=O)NC2=C(C=C(C=C2)C)C)S(=O)(=O)N3CCCC3 1 3.093 3 3 -20.5140148351522 1318310 CN(CC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.422 2 6 0 -16.6672679984266 1318307 CC1=C(C(=CC=C1)C)OCC(=O)NC2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)C 1 4.323 2 5 0 -16.7024954871185 1318293 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)N(CC3=CC=CC=C3Cl)S(=O)(=O)C 1 3.857 3 6 0 -14.8223394926071 1318258 CC(C)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C)Br 1 2.979 2 2 -2.56621464046887 1318257 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O 1 1.144 2 7 0 -18.2230342169551 1318215 COC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])OC 1 1.281 3 8 0 -25.5638839900028 1318207 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC=C(C=C2)NC(=O)C 1 0.984 3 4 0 -13.0662079838242 1318179 CC1=CC=C(C=C1)S(=O)(=O)N=C(CN2CCCCC2)N3CCOCC3 1 1.442 3 3 0 -8.50535019917955 1318151 CN(C1=CC=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.789 2 3 -7.34953127775222 1318054 COC1=CC=C(C=C1)C(=O)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3 1 5.598 2 2 -10.8252476349948 1317965 C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Br)Cl 1 4.65 2 1 -0.811330830845797 1317866 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC(=CC=C4)OC 1 2.876 5 4 0 -4.84839808464785 1317857 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)OC)OC 1 2.054 2 6 0 -18.2156076964071 1317849 C1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 3.133 3 5 0 -25.4500072969036 1317768 CC(=O)NC1=CC=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C 1 0.598 4 6 0 -18.0761836660851 1317737 CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C 1 1.966 3 5 0 -25.5694720429282 1317731 COC(=O)C1=CC(=CC=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)O 1 4.315 1 4 -10.8357558460702 1317725 C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=O)COC3=CC=C(C=C3)Cl 1 3.087 2 4 -13.638813949831 1317705 C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br)Cl 1 4.028 3 1 -6.96063608560297 1317702 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=CC=CC=C3C(=O)N 1 3.979 4 3 0 -13.5131214669056 1317599 CC(=O)C1=CC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.306 2 5 0 -12.2996465569175 1317585 CC(C)C1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)NC(=O)C)S(=O)(=O)C3=CC=CC=C3 1 3.474 3 4 0 -16.2976860991579 1317528 C1CN(CCN1C2=CC=C(C=C2)NC(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)O 1 4.719 3 3 3.31048846167981 1317507 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 2.744 3 5 0 -14.2987951789036 1317485 C1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)NC(=O)CC3=CC=CC=C3)Cl 1 4.133 2 2 -6.21644463295663 1317476 COC1=CC=CC=C1C(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4 1 2.967 3 2 -2.12140595091245 1317430 CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)C)C=NN4C=NN=C4 1 5.108 5 1 3.51994715524525 1317425 CC1=CC(=C(C=C1)C)OCC(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 3.664 2 3 -3.27962131069807 1317387 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.821 2 5 0 -18.5875240869847 1317372 CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)O)C 1 3.14 2 5 0 -6.88487276699303 1317357 CS(=O)(=O)C1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N 1 4.837 2 2 -5.11821821952737 1317272 COC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)C 1 1.524 3 7 0 -24.7522865152215 1317260 CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)F)C 1 5.243 2 2 9.89512070358876 1317233 COC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(S2)Br 1 2.983 1 3 -4.26060577803792 1317192 COC1=C(C=CC(=C1)/C=C\2/C(=O)NN(C2=O)C3=CC(=CC=C3)F)OC(=O)C4=CC=CO4 1 3.268 2 6 0 -9.55866461490044 1317186 CCC1=NN=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 0.603 4 4 0 -12.1843137033292 1317175 CN(C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C)S(=O)(=O)C 1 2.432 3 5 0 -14.565081017294 1317173 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 1.405 2 5 0 -11.1238497051226 1317157 CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)COC2=CC=C(C=C2)Cl 1 4.717 3 3 -6.87545461715647 1317156 C1CCC(CC1)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.84 1 1 -2.01547355429895 1317142 CN(C1=CC=CC(=C1)NC(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C)S(=O)(=O)C 1 0.667 3 7 0 -17.4612674573182 1317137 C1CCC2=C(C1)C=CC(=C2)OCC3=NN=C(O3)SCC(=O)NC4=CC=C(C=C4)F 1 4.403 3 3 -19.1116941985216 1317131 CCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.211 2 4 0 -22.1918552491393 1317129 COC1=CC=CC=C1NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.433 2 5 0 -7.96954175630549 1317127 CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3 1 4.859 3 2 -8.60318455761797 1317090 C1CCCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC=C3 1 3.105 2 3 -11.1639569472426 1317052 COC1=CC(=C(C=C1)OC)N(CC(=O)N)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 1.311 2 7 0 -16.0362217426148 1317019 CC1=C(SC(=N1)NC(=O)COC2=CC=CC3=CC=CC=C32)C(=O)OC 1 2.785 2 4 -9.59154412395831 1317004 CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=C(C=C3)OC)C4CCCCC4 1 3.927 3 3 -9.50358378162952 1316979 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.77 3 4 0 -22.5858155162607 1316969 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N(C)CC2=CC=CC=C2 1 2.3 2 4 -18.8917242692741 1316954 CC1=C(C(=CC=C1)NC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)OC)OC)C 1 2.317 2 5 0 -14.3546069617252 1316898 CC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C)S(=O)(=O)C 1 1.17 3 6 0 -15.1335429292967 1316871 CC1=CC=CC=C1NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 1 6.643 2 0 -14.4097935847999 1316869 COC1=CC=CC=C1NC(=O)CN2C=NC=C2C3=CC=C(C=C3)[N+](=O)[O-] 1 2.247 4 4 0 -9.8679702964547 1316845 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)O 1 2.615 2 4 -15.0248308508306 1316831 CN(CC(=O)NC1CCCCC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 1.832 2 5 0 -19.2340358559542 1316829 CC1=C(C(=CC=C1)N(CC(=O)NC2=CC=CC=C2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C 1 5.65 2 3 -9.51798845331613 1316771 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CN=CC=C3 1 1.706 3 3 0 -17.5014491031156 1316739 CN(C1=CC=CC(=C1)NC(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C 1 2.941 3 5 0 -14.4851489675045 1316718 CN(CC(=O)NC1CCCC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 1.376 2 5 0 -18.8795673417861 1316683 COC1=CC=C(C=C1)C2=NC(=C(O2)N3CCN(CC3)C4=CC=CC=C4)C#N 1 3.859 4 2 1.80950689944371 1316617 CCN1C=C(C(=N1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)Br 1 4.299 3 3 -8.08206266909176 1316627 CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=CC=C3C#N 1 2.991 5 1 -11.9400361378473 1316629 C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)C(=O)N4CCOCC4)C(F)(F)F 1 3.912 3 2 -5.47846010630114 1316660 CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC4=CC=CC=C43 1 4.829 4 2 -8.97280238230951 1316639 C1CN(CCC1C(=O)NC2=C(C=C(C=C2)F)F)C(=O)C3=CC=C(C=C3)Br 1 3.66 2 2 -0.948752622582795 1316596 CCN1C(=C(C(=NC1=S)N2CCN(CC2)C3=CC=C(C=C3)F)C(=O)C)C 1 3.472 4 1 -2.1300764055858 1316595 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)F)C 1 4.565 6 0 6.3212673584246 1316594 C1CCN(CC1)C2(CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)C(=O)N 1 0.786 5 2 0 -6.27330856119049 1316586 COC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3F 1 4.37 1 3 -9.31870552283191 1316580 CCN1C(=C(C=N1)Br)C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C 1 3.234 3 3 -11.1922854470422 1316575 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 4.27 4 2 -12.7571026691903 1316572 C1CN(CCN1C2=CC=CC=C2)C(=O)CNS(=O)(=O)C3=CC=CC=C3 1 1.636 3 3 0 -7.65168753398363 1316560 CC1=C(C=CC=C1NC(=O)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3)C(=O)O 1 3.35 2 5 0 -11.344560310911 1316538 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C3=NN=NN3C)OC)C 1 2.509 5 3 0 -12.7547532169536 1316513 CC1=CC=CC=C1OCC(=O)OCC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3 1 4.829 0 5 -10.1971462609279 1316509 CCN1C(=NN=N1)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OC 1 1.74 5 5 0 -18.1848316181433 1316497 CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)OCO4)C(C)(C)C 1 5.136 2 4 -5.18193815224924 1316484 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=CC=CC=C3 1 3.776 2 3 -11.277522253886 1316483 CS(=O)(=O)N(CC1=CC=CC=C1Cl)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 2.835 3 3 -15.8925561616852 1316461 CC1=C(C=C(C=C1)OCC(=O)NC2=CC=C(C=C2)CN3CCOCC3)C 1 3.183 2 3 -5.08665169247467 1316457 CN(C)C1=C(N=C(O1)C2=CC=CC=C2OC)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.228 2 4 -2.66955883320935 1316451 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCCN3CCOCC3 1 1.632 3 4 0 -14.727264990887 1316427 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC=C(C=C2)C(F)(F)F 1 2.319 2 3 -7.17653299897476 1316423 COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OC(=O)C4CCCCC4 1 5.256 0 5 -5.49236604095412 1316409 CSC1=CC=C(C=C1)/C=C(\C(=O)N2CCOCC2)/NC(=O)C3=CC=CO3 1 1.825 2 4 0 -16.4389690170455 1316388 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4)[N+](=O)[O-] 1 5.478 3 6 0 -3.79129984167133 1316357 C1CCC(CC1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5 1 4.781 5 1 -12.1361366654787 1316347 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.515 4 5 0 -7.54639957377171 1316338 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=C(C=C4)Br 1 3.035 2 4 -6.29861582300616 1316336 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 4.312 2 3 -1.46451089633261 1316328 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)Br 1 3.017 2 4 -4.85331466943772 1316301 CC1=CC(=CC=C1)N(CC(=O)NC2=CC=C(C=C2)NC(=O)C)S(=O)(=O)C 1 1.19 3 4 0 -15.1847123301402 1316290 C=CCN1CC2(CN(CC(C1)(C2=O)C3=CC=CC=C3)CC=C)C4=CC=CC=C4 1 3.996 2 1 -5.32728536119835 1316259 C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4 1 2.889 4 2 -8.83977491826611 1316236 CC1=CC=C(C=C1)C2=NC3=C(C(=C2)C4=CC=CC=C4)C(=C(S3)S(=O)(=O)C)N 1 4.595 2 2 -0.626036250237076 1316233 COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F 1 3.173 3 2 0.165891924982265 1316232 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.327 3 3 -5.48946621209175 1316213 CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.934 3 4 0 -14.8962179566477 1316176 C1CN(CCN1C2=CC=CC=C2)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)F 1 1.841 3 3 0 -5.75076940723398 1316171 CS(=O)(=O)N(CC(=O)NCC1=CC=CC=C1Cl)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.149 3 5 0 -20.1659052454545 1316149 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C)C3=CC=C(C=C3)OC 1 2.746 3 6 0 -15.4242027840565 1316121 CCN1/C(=C/C2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)N(C1=S)CC 1 4.331 4 3 0 -1.44387585017816 1316104 CC1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.036 2 5 0 -16.3048111593824 1316101 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 4.257 2 2 1.59814945159548 1316078 COC1=CC=CC=C1OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC=C4)O 1 3.74 1 5 -2.69452946461481 1316065 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2F 1 2.292 2 4 -16.6638718467071 1316052 C1=CC(=CC=C1C(=O)O)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 2.993 3 3 -9.66424673449753 1316051 CCN1C(=NN=C1SCC(=O)NC2=C(C=CC=N2)C)COC3=CC=CC=C3Cl 1 3.768 5 2 0 -14.6013973901469 1316045 CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C 1 4.988 2 5 0 5.1506308413581 1316030 CC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 3.619 3 5 0 -27.7227925545249 1316029 CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3 1 3.615 3 2 -8.16915297505961 1316027 CN(C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C)S(=O)(=O)C3=CC=CC=C3 1 2.425 3 5 0 -13.0208193012772 1315988 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)N3CCOCC3)OC 1 2.537 2 5 0 -20.520764072206 1315968 CCOC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C 1 4.555 1 5 -8.76156583077393 1315954 COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)N3CCOCC3 1 2.425 2 5 0 -18.9741895321667 1315952 COC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)N3CCOCC3 1 2.425 2 5 0 -18.9741895321667 1315938 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C 1 3.132 2 3 -5.92920619540136 1315922 CCCN1C(=NN=C1SCC(=O)N2CCOCC2)CC3=CC=CC=C3 1 2.269 4 2 -19.4889344689298 1315901 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CC3=CN=CC=C3)O 1 3.238 2 2 -0.34849878297024 1315879 CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-] 1 3.579 3 5 0 -11.5352079986546 1315872 CC1=CC=CC=C1C(=O)NCC2=NN=C(N2C)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 4.661 5 2 0 -18.224189225277 1315846 C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)OC4=CC=C(C=C4)Cl)C(=O)O 1 4.293 1 5 -7.38059183138937 1315836 CC1=C(C=CC=C1NC(=O)C2=CC=CO2)C(=O)NN3C(=O)C4=CC=CC=C4C3=O 1 2.361 3 5 0 -8.55733560100404 1315834 C1=CC=C2C(=C1)C=CC=C2N3C(=NNC3=S)C4=CC(=NN4)C5=CSC=C5 1 4.931 5 0 1.48550620498163 1315831 COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)CCO)OC)Cl 1 3.097 3 3 -11.5604646065405 1315828 CC1=CC=C(C=C1)CN(CC(=O)NC2CC2)S(=O)(=O)C3=CC=CC=C3 1 2.566 2 3 -18.2016348092301 1315815 CC1=CC(=C(C=C1)C)N2C(=C(C(=NC2=S)N3CCN(CC3)C)C(=O)C)C 1 3.89 4 1 -2.76000319714917 1315810 C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)O 1 2.706 0 3 -1.19280430161334 1315808 C1=CC=C(C=C1)CC(=O)NC2C3=CC=CC=C3C4=CC=CC=C24 1 3.957 1 1 -5.61383948117426 1315800 CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)COC3=CC=C(C=C3)C(C)C 1 3.42 5 2 0 -16.2631508639876 1315772 COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)OC)C3=CC=CS3)OC 1 4.466 2 3 -5.62061107618765 1315768 CCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 1 4.922 3 3 -16.746077913014 1315716 CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)C 1 5.254 4 1 1.69306541491671 1315714 CC(=O)NC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)N4CCCCC4 1 2.903 4 2 -7.61602204517755 1315708 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=C(C(=O)N2)NC(=O)C)O 1 1.327 4 4 0 -19.1621410774194 1315700 C1CCC2=C(C1)C(=C3C(=C(SC3=N2)C(=O)N)N)C4=CC=C(C=C4)Cl 1 3.99 3 1 -1.42932135563338 1315659 CCN1C(=C(C=N1)Br)C(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 4.773 3 2 -2.00516186913701 1315623 CC1=CC(=NC(=C1)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3Cl)C 1 5.003 2 2 -4.55360310042258 1315619 C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CO4 1 2.768 3 5 0 -14.1503407270535 1315612 CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.385 2 3 1.33509076209612 1315610 CCOC(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl 1 2.631 6 2 0 4.29466692877024 1315606 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC=CC=C2Br 1 2.125 2 3 -12.4209539162261 1315581 CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC(=O)NC3=NC=C(S3)C 1 2.313 4 3 0 -16.8986323792864 1315579 COC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=O)N2)Br)OCC3=CC=CC(=C3)C(=O)O 1 2.665 2 6 0 -11.9600443131521 1315511 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)COC3=CC4=C(CCC4)C=C3 1 5.222 1 3 -9.66308583996292 1315475 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3CCCCC3 1 3.416 2 3 -20.3087774155845 1315470 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)Cl)Cl 1 4.097 2 2 -0.729120045832992 1315467 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4 1 5.626 4 1 -5.89160663979622 1315426 CC1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 4.843 3 2 -8.79651844032014 1315425 C1CN(CCC1C(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC=C(C=C3)Br 1 3.454 2 2 -0.105739438545402 1315417 CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2OC)S(=O)(=O)N3CCOCC3 1 2.536 1 6 0 -23.352821816844 1315348 CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2F)F 1 2.001 2 3 -12.4593082318173 1315339 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)NC(=O)C)C 1 3.221 6 1 0 -0.642692596035369 1315334 COC1=CC=CC(=C1)C2=NC(=C(O2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4 1 3.252 2 5 0 -7.04889351619501 1315303 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC=NC4=C3C=NN4C5=CC=CC=C5 1 2.221 7 1 0 -5.87700209452749 1315290 C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4S3)Cl 1 4.148 3 2 -7.85619389239884 1315284 COC1=CC=C(C=C1)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3 1 2.448 4 2 -0.638267453753349 1315241 C1=CC(=CN=C1)CNC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.248 3 2 -10.3729828200733 1315228 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl 1 2.62 2 3 -6.91636839656736 1315225 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)Br 1 2.975 2 3 -18.2198964074347 1315224 COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CC4=CC(=CC=C4)[N+](=O)[O-] 1 4.188 3 4 0 -9.50824283281538 1315202 CC1=CC=C(C=C1)C2=C3C=C(C(=CC3=CC(=C2)C(=O)N4CCOCC4)OC)OC 1 3.811 1 4 -5.97220959004273 1315190 COC1=CC=CC=C1CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C 1 1.468 3 6 0 -21.329489855181 1315178 COC1=CC2=C(C=C1/C=C\3/C(=O)N(C(=O)S3)CC#C)OCO2 1 3.092 1 5 -7.0502633803068 1315140 COC1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/C(=O)NC3=CC=CC=C3C(=O)N4CCCC4 1 4.419 2 3 -11.2539652109454 1315138 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NCCC3=CC=CC=C3 1 5.027 3 2 -13.3125745364314 1315118 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O 1 3.765 2 5 0 -11.5298223875567 1315109 C1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 4.634 2 3 -7.82448469956898 1315081 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 1.561 2 5 0 -5.24878489650353 1315061 CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)S(=O)(=O)C 1 2.872 3 3 -16.0669624584584 1315050 CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)N3CCOCC3)S(=O)(=O)C 1 2.118 2 4 -13.3372038959476 1315034 CC(C)NC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.219 2 5 0 -20.5097226525479 1315019 C1CCCC(CC1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 4.103 2 3 -15.6085757301628 1315015 CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)N3CCCC3)S(=O)(=O)C 1 2.891 2 3 -11.4144389320039 1314975 CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CO2 1 4.069 3 3 -15.2181981616994 1314972 CC1=C(N=CC=C1)NC(=O)CSC2=NN=C(N2C)COC3=CC=C(C=C3)C(C)C 1 3.949 5 2 0 -12.3324403044683 1314971 CC1=CC(=C(C(=C1)C)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C)C 1 4.57 4 1 -9.81828165854642 1314956 CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)Br 1 4.026 2 1 5.80544800159432e-002 1314948 C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3 1 3.465 2 3 -9.41671366464636 1314926 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3 1 2.49 3 3 -8.39872586318205 1314911 CN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)Cl 1 3.775 5 1 -7.8472210729209 1314906 C1CN(CCN1C2=CC=CC=N2)C3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5 1 4.184 4 1 0.801967313020829 1314897 COC1=C(C=C(C=C1)/C=C(\C(=O)NCC2=CC=CO2)/NC(=O)C3=CC=CO3)OC 1 2.122 2 6 0 -23.2557651602868 1314887 CCN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Br 1 2.962 4 2 -13.343428781331 1314870 C1=CC=C2C(=C1)C=CC=C2NC(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O 1 2.358 2 4 -5.41417476385649 1314869 COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(O2)COC3=CC=CC4=CC=CC=C43 1 4.418 1 5 -11.5500396182962 1314862 CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC3=C(C=C2)C4=CC=CC=C4C3 1 5.898 2 2 -6.59510624137961 1314845 COC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br 1 3.06 3 3 -8.00126664743465 1314833 COC1=CC(=CC(=C1)CNC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)Cl)OC 1 4.82 1 4 -8.74003599330165 1314815 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=CC=C3)COC4=C(C=C(C=C4)Cl)Cl 1 5.157 3 2 -0.28755801292382 1314808 C1=CC=C2C(=C1)C=CC=C2OCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)O 1 3.652 1 4 -5.97618298739599 1314793 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CNC(=O)CC3=CC=C(C=C3)OC 1 2.106 5 4 0 -21.6257470178435 1314791 CCOC(=O)N1CCC(CC1)NC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl 1 2.578 6 2 0 -0.39248188428518 1314765 CCOC1=C(C(=CC(=C1)CNN2C=NNC2=S)Cl)OCC3=CC=CC=C3F 1 4.219 4 2 -8.9551904013828 1314763 COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2C(=O)N3CCOCC3)Cl)Cl 1 3.028 2 4 -6.80061541106436 1314751 C1=CC=C2C(=C1)C=CC=C2OCC3=CC=C(C=C3)C(=O)NCC4=CC=CO4 1 4.278 1 3 -9.16411795512818 1314731 CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)NC1=O 1 2.162 4 3 0 -6.21828238694024 1314720 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(O4)COC5=CC=CC=C5Cl 1 4.257 2 5 0 -4.44093279340976 1314708 COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)COCC(F)(F)F)OC 1 3.393 1 4 -12.479283663758 1314692 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=C(C=C4)F)F)F)C(=O)O 1 4.369 4 4 0 -10.1499036595435 1314679 CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3)C5=CC(=CC=C5)N 1 4.58 4 1 -0.808957798337151 1314677 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3Cl)N(C)C 1 4.731 2 3 -1.55863877159349 1314671 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4C)C(=O)O 1 2.88 6 3 0 -10.9000268942703 1314635 CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3 1 4.558 3 2 -10.0654485718486 1314628 CC1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 4.16 3 3 2.68755873264553e-003 1314625 CC(C)(C)NC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Br 1 2.603 2 2 -10.5167990843855 1314610 C1OC2=CC=CC(=C2O1)CNC3=C(N=C(O3)C4=CC=C(C=C4)Cl)C#N 1 3.908 3 3 5.47596126005127 1314599 CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C 1 3.823 3 4 0 -7.57043573310721 1314547 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(S3)Br 1 1.577 2 4 0 -15.1377235743789 1314526 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)NCC2=CC=CO2)C3=CC=CC=C3F 1 1.762 3 5 0 -25.9758388084846 1314518 C1CCN(C1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3 1 2.356 2 4 -11.2828205150692 1314517 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OC 1 1.863 1 7 0 -15.1431076755547 1314515 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3 1 3.218 2 4 -10.5190319910004 1314471 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)C 1 1.889 3 6 0 -24.4784938518005 1314470 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCOCC4 1 3.785 3 2 0.819416297329943 1314466 CC1=CC=C(C=C1)C(=O)NC(C)(COC2=NON=C2C)COC3=NON=C3C 1 2.274 5 5 0 -10.640731291943 1314443 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C 1 1.935 2 5 0 -17.4531261868099 1314430 CCC1=CC=CC=C1N(CC(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C)S(=O)(=O)C 1 1.642 3 5 0 -17.0030547028188 1314429 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 2.758 3 7 0 -13.6234714991623 1314422 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O 1 2.86 2 5 0 -8.81413511854683 1314410 C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 3.063 2 4 -12.747411211828 1314405 CC(=O)NC1=CC=C(C=C1)NC(=O)CN(C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C 1 2.032 3 4 0 -13.8871117087457 1314399 CC(C)C1=CC=C(C=C1)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)F 1 2.777 2 3 -8.88095352495401 1314389 CC(=O)NC1=CC=C(C=C1)NC(=O)CN(C2=C(C=CC(=C2)OC)OC)S(=O)(=O)C 1 0.67 3 6 0 -16.8470695615358 1314335 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)O 1 2.86 2 5 0 -6.96119512478047 1314336 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)SC 1 2.899 1 5 -7.34459183235378 1314337 CC1=C(C=CC=C1Cl)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3 1 4.887 1 4 -8.81807434627482 1314338 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)NCCC2=CCCCC2 1 3.108 1 5 -15.0922075031889 1314349 C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O 1 2.36 1 7 0 -16.0717946000371 1314388 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)OC)OC 1 3.104 2 7 0 -4.0086018262587 1314386 CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)COC3=CC=CC(=C3)[N+](=O)[O-] 1 3.245 3 7 0 -18.1022811840796 1314375 CCCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC=NC=C3 1 2.773 5 1 -16.8208284844049 1314371 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N 1 1.01 2 6 0 -12.1176899342298 1314329 COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.25 3 6 0 -6.99244660439213 1314327 CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)O 1 5.699 2 3 -3.20962367539449 1314318 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 3.441 3 3 -0.672923133160445 1314274 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2 1 4.705 4 2 -11.513599433252 1314275 C1=CC=C(C(=C1)C(CC(=O)C2=CC=C(C=C2)Cl)CC(=O)C3=CC=C(C=C3)Cl)C(=O)O 1 5.888 0 4 -2.14827690225436 1314313 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CNC3=NC=C(C=C3)Br 1 3.86 3 2 -6.46748624530297 1314309 C=CCN1C(=O)CSC1=NC2=CC(=CC=C2)O 1 2.463 2 2 -7.76262871223531 1314307 CC1=C(C(=CC=C1)C)OCC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3F 1 3.862 3 3 -20.5422837082224 1314305 COC(=O)CSC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)N5CCOCC5 1 4.28 4 3 0 -18.1311938779531 1314297 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC3=CC(=CC=C3)Br 1 3.734 2 3 -5.02245566263404 1314240 COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)S(=O)(=O)C 1 4.072 2 3 -5.89652337415689 1314225 C1=COC(=C1)CN2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O 1 4.443 1 3 -5.75137245314042 1314220 C1OC2=C(O1)C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br 1 2.44 1 4 -2.93808033949971 1314217 CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.699 3 5 0 -12.1868074906105 1314194 COC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)OC 1 1.975 1 7 0 -10.6288244466099 1314157 CCCN1N=C(N=N1)NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl 1 4.597 5 2 0 -4.16313814193327e-002 1314152 C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=C(S3)Br 1 1.053 4 2 0 -8.84773902609817 1314141 CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.873 2 4 -13.870448122058 1314115 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.758 3 7 0 -15.5463538294982 1314105 CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl 1 3.154 2 3 -8.15951779462619 1314080 CC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C)S(=O)(=O)C 1 1.851 3 5 0 -13.50798302558 1314065 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC3=CC=CC=C32 1 2.995 2 4 -16.3853684547997 1314032 C1=CC=C(C(=C1)C(=O)NC2=NC=C(C=C2)Br)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.43 4 4 0 -14.0225512316669 1314027 COC1=CC=CC=C1N2CCN(CC2)C(=O)CN(C3=CC4=C(C=C3)OCCO4)S(=O)(=O)C 1 1.611 3 6 0 -13.7599886372051 1314026 CC1=C(C(=CC=C1)NC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC)C 1 4.286 1 4 -4.81107531471692 1314023 C1CN(CCN1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4 1 3.831 4 1 -1.65527617112561 1314008 CN(C)C(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N 1 2.66 4 2 -13.9170890468413 1313990 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 3.302 2 3 -7.74514400354235 1313981 C1COCCN1C(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.608 2 4 -8.6859990240044 1313978 C1COCCN1CCNC(=O)C2=CC(=CC(=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl)Cl 1 2.872 4 5 0 -10.8365678917414 1313969 COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C3=CC(=C(C=C3)F)F 1 3.357 2 6 0 -9.98341105077337 1313967 CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CO3 1 3.207 4 3 0 -12.5710516979626 1313965 CC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2OCC(=O)N3CCOCC3)C 1 2.524 2 4 -11.6360047573043 1313964 COC1=CC=CC=C1OCC(=O)NC2=CC=CC(=C2)C(=O)N3CCOCC3 1 1.535 2 5 0 -14.8608904489819 1313962 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCOCC3)Cl 1 2.867 2 3 -10.3448375257609 1313933 CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)COC2=CC=CC=C2 1 4.053 3 3 -8.36955831819362 1313927 C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)NC3=CC(=CC=C3)Cl 1 5.398 2 4 -2.3880855741291 1313920 C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3F)CN4C=NC5=CC=CC=C54 1 5.347 5 0 -14.1338993543089 1313916 C1CCC(CC1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 4.803 2 2 0.388549359579432 1313908 C1CN(CCN1CCO)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.341 4 5 0 -11.3844426510798 1313871 CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CO2 1 3.613 3 3 -9.79590402705188 1313869 CS(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC=CC=C2F)C3=CC4=C(C=C3)OCCO4 1 1.833 3 5 0 -10.9928131670729 1313850 C1COCCN1C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.275 3 5 0 -13.6439813308209 1313841 CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)OC3=C(C=CC=C3Cl)[N+](=O)[O-] 1 5.256 1 5 -1.58854265650652 1313816 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NN=C(O4)C5=CC=CO5 1 4.627 3 3 -10.2756342567063 1313801 CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C 1 0.674 2 7 0 -19.0109432967473 1313785 C1=CC(=C(C=C1Cl)Br)OC2=NC=C(C=C2)C(F)(F)F 1 5.133 1 1 8.16179212524201 1313782 CCOC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2OC)OC 1 2.694 2 5 0 -8.70193829985889 1313776 COCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3=CC=CC=C3 1 2.7 4 2 -20.6364585012118 1313765 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)OC)OC 1 2.931 4 3 0 -19.7292021202577 1313743 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)NCC2=CC=CO2)C3=CC4=C(C=C3)OCCO4 1 1.342 3 7 0 -26.0780201249348 1313739 CC(=O)NC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C(=O)NC3=C(C(=CC=C3)Cl)Cl 1 3.683 3 4 0 -11.7408582244888 1313681 C1CC1NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4 1 3.541 4 1 -17.5571619086434 1313668 CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 4.035 6 3 0 -25.6429252332842 1313660 CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)Cl 1 5.049 2 3 -8.10912465263827 1313639 CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 5.706 2 4 -5.58539058405429 1313631 COC1=C(C=C(C=C1)C2=NOC(=N2)C3=C(C=CC(=C3)Cl)Cl)OC 1 4.441 2 3 7.15514551342155 1313628 C1=CC=C(C(=C1)C(=O)NC2=CC=NC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.143 4 4 0 -12.2120152950011 1313620 CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C(=C2)C)OCC(=O)N3CCOCC3)C 1 3.01 2 4 -14.181448766801 1313619 COC(=O)C1=CC=C(O1)CNC(=O)COC2=CC=CC=C2Br 1 2.533 1 5 -11.1422781996803 1313606 CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CNC(=O)C 1 2.156 4 2 -14.1987134048789 1313586 C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3Cl)F)F 1 4.021 2 2 -9.17689172890165 1313581 C1CCN(C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.048 3 4 0 -11.7212163668773 1313577 C1COCCN1C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.61 3 5 0 -12.3864289781868 1313550 CCN1C(=C(C(=N1)C)NC(=O)CSC2=NN=C(N2C)C3=CC=CO3)C 1 1.866 6 2 0 -12.9569929199179 1313542 CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CCC3=CC=CC=C3 1 3.535 4 1 -16.7708967278144 1313539 CC1=CC(=CC(=C1OCC(=O)N2CCOCC2)C)NC(=O)C3=CC4=CC=CC=C4O3 1 3.119 2 5 0 -8.91068604295243 1313537 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC 1 3.382 2 3 -0.447047611724176 1313521 C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N 1 5.52 2 1 -5.54043099983554 1313511 C1COCCN1C(=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.05 2 5 0 -5.78995213059785 1313499 CS(=O)(=O)N(CC(=O)NC1CCCC1)C2=CC3=C(C=C2)OCCO3 1 1.194 2 5 0 -17.5576416168996 1313487 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 4.511 3 3 -8.16261420547625 1313486 CCC(=O)N(C1=CC=C(C=C1)C(=O)O)C2=NC(=C(S2)C)C3=CC=C(C=C3)OC 1 4.102 2 4 -3.12977582962047 1313460 CN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC=CS4 1 5.344 4 1 -14.0123801157628 1313458 CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)C 1 3.146 3 2 -9.52679965473339 1313417 C1=CC=C2C(=C1)C=CC(=C2Br)OC3=NC=C(C=C3)C(F)(F)F 1 5.377 1 1 7.32506189616244 1313412 CC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)CC3=CC=CC4=CC=CC=C43 1 4.828 2 2 -11.6262066082183 1313393 COC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)Br 1 3.06 1 4 -9.85571424684301 1313390 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4 1 2.482 3 6 0 -24.0854495654549 1313380 COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 4.717 2 5 0 -4.18977901477739 1313347 COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2F)NC(=O)C3=CC=CC=C3Cl 1 4.252 2 3 -13.2155861458445 1313317 C1CCN(CC1)C(=O)CN(CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 2.918 2 3 -13.8436188767523 1313311 COC1=CC=CC(=C1)N(CC(=O)NC2CCCCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.881 2 4 -16.6322703694289 1313303 C1=CC(=CC=C1S(=O)(=O)NC2=NN=C(S2)C(F)(F)F)Cl 1 2.804 3 2 -2.8152948338213 1313274 CS(=O)(=O)N(CC1=CC=CC=C1Cl)C2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3 1 2.835 3 3 -13.7962769855271 1313258 C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 4.81 3 1 -2.79433357005491 1313238 CCC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)/C=C/C3=CC=CO3 1 4.204 2 3 -10.3068648811469 1313215 CC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CCC2)C(=O)/C=C/C3=CC=C(C=C3)C 1 4.095 2 2 -4.06197769332856 1313208 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 1.212 2 5 0 -4.4825617447955 1313207 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2=CC=CS2 1 2.75 2 4 -17.4320231508031 1313185 C1=CC(=CC=C1CNC(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N 1 3.123 2 3 -10.0434533669118 1313167 C1=CC(=C(C(=C1)Cl)/C=C/C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)F 1 2.664 2 3 -12.3399009944017 1313163 CN(CC#CC1(C2=CC=CC=C2C3=CC=CC=C31)O)CC4=CC=CC=C4 1 4.694 1 1 1.44673706705338 1313145 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 2.856 2 3 -16.6908506637819 1313119 CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 5.076 3 1 -8.93743718269271 1313100 CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.779 2 5 0 -11.7960483226761 1313057 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CN=CC=C2)C(=O)OC)C 1 1.995 3 4 0 -22.8482778253011 1313021 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] 1 1.297 3 7 0 -25.59347585672 1313016 CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3)[N+](=O)[O-] 1 3.996 4 4 0 -14.2933895308704 1313004 CC(C)(/C=C/C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N(C)C 1 3.882 1 1 1.47300611795723 1312999 CC1=CC(=NC=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=S)N(C3=O)C)C)C 1 3.217 4 2 -3.37125989375898 1312969 C1=CC=C(C=C1)C(CCNC(=O)C2=CC=C(O2)Br)C3=CC=CC=C3 1 4.646 1 2 -12.5723589279152 1312948 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl)C 1 5.132 2 3 -6.76275735554773 1312940 CS(=O)(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)N 1 4.109 2 2 -2.29095876731299 1312921 CC1=C(C=C(O1)C(=O)OC)COC2=CC3=C(C=C2)C4=C(CCCC4)C(=O)O3 1 4.296 0 6 -13.4060128369283 1312912 CN(CC(=O)NC1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.55 2 5 0 -13.0916245324422 1312891 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O 1 2.996 2 6 0 -11.7378476631349 1312855 CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC4=C(OC(=C4)C(=O)O)C 1 4.557 0 6 -11.9785392022702 1312797 C1=CC(=CC=C1C2=CC=C(N2NC(=O)N)CCC(=O)O)Br 1 2.637 3 3 -6.08129045934335 1312791 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4=C(C=C(C=C4)C)C 1 6.137 2 3 -8.61836539439274 1312751 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCOCC4)OC 1 2.964 3 4 0 -13.4135048344925 1312721 CCOC1=C(C(=CC(=C1)C=NO)Br)OCC2=CC=C(C=C2)Cl 1 4.968 1 3 2.81588303367605 1312703 CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N(C)CC4=C(N(N=C4)C)C 1 4.99 4 1 1.2454110404214 1312691 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 0.303 3 6 0 -23.1508446297213 1312683 COC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.834 2 2 -0.374947737762374 1312679 COC1=C(C=C2C(=C1)C(=O)OC(=N2)COC3=CC=CC=C3[N+](=O)[O-])OC 1 2.837 2 7 0 -8.43239393803326 1312671 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)N3CCCC3)S(=O)(=O)C 1 2.891 2 3 -12.7038703120652 1312653 CN(C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C4=CC=CC=C4 1 4.333 2 5 0 -23.1656170296339 1312649 CC1=CSC(=N1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O 1 0.729 3 4 0 -5.52523531078983 1312634 CN(CC1=CC=CC=C1)C(=O)COC2=C(C=C(C=C2)Br)Cl 1 4.075 1 2 -5.75411992372401 1312630 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C 1 2.435 3 4 0 -15.7719439908442 1312539 CC(C)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)Br 1 4.039 3 2 -2.16497137576519 1312523 CN(C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C 1 1.698 2 5 0 -15.3106895180596 1312513 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.771 2 6 0 -14.0800465937184 1312508 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)F 1 2.047 3 3 -6.3157851543093 1312505 CCC1=CC2=C(S1)N=CN=C2SCC(=O)C3=CC=C(S3)Cl 1 4.673 2 1 -4.79723249538669 1312503 CN1C=CN=C1SCC(=O)NC2=C(C=C(C=C2)Br)C(F)(F)F 1 3.333 3 1 -8.12158031969758 1312468 COC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(=O)O 1 2.848 2 6 0 -15.4849616964125 1312458 CS(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)C3=CC=CC=C3 1 2.506 3 3 -4.98430804493789 1312447 CC(C)NC(=O)C1=CC=CC=C1NC(=O)/C(=C/C2=CC=C(C=C2)OC)/C3=CC=CC=C3 1 4.479 2 3 -16.5340460801069 1312433 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=C(C=C3)Br 1 4.33 4 1 -4.29880447722666 1312406 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.59 4 4 0 -14.1964161438233 1312386 CC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC(=CC=C2)OC)S(=O)(=O)C 1 1.306 2 5 0 -15.5531621493078 1312376 CC1=CC(=C(C=C1)N(CC(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)C)C 1 3.097 2 3 -10.7456540552634 1312371 C1=CC=NC(=C1)CNC(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.56 3 3 -16.3429223050611 1312358 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NCCC3=CCCCC3 1 4.73 2 3 -14.802744917953 1312356 CC(C)CN1C=NC2=C(C1=N)C(=C(N2CC3=CC=CO3)C4=CC=CC=C4)C5=CC=CC=C5 1 5.72 4 1 1.93949393622702 1312346 CCC1=CC=C(C=C1)N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.958 3 3 -20.2047280343803 1312344 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3Cl 1 3.636 4 3 0 -12.7571976223477 1312320 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-] 1 3.442 2 6 0 -25.1496416841061 1312289 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=CC=C3)Cl 1 3.373 3 4 0 -13.1668414679353 1312252 C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3Cl 1 2.037 2 4 -15.7966290019021 1312239 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.61 3 5 0 -14.7150263649375 1312230 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)Cl 1 3.572 3 3 -13.8713903967224 1312184 CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4)[N+](=O)[O-])C 1 5.481 3 4 0 4.18971537820069 1312178 C1=CC(=C(C(=C1)Cl)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)F 1 3.182 4 3 0 -12.0616078475222 1312155 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)NC3=CC=CC=C3Cl 1 3.825 3 1 1.72926388951104 1312099 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSCC4=CC(=CC=C4)Cl 1 3.617 2 3 -6.19480245869502 1312086 C1=CC=C(C=C1)C2=C(N(C3=C2C(=N)N(C=N3)CCCN4C=CN=C4)CC5=CC=CO5)C6=CC=CC=C6 1 4.332 6 1 0 6.67323543939683 1312047 C1COCCN1C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)F 1 2.272 4 3 0 -10.9424424796929 1312044 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4OC)OC 1 4.698 2 4 -10.8117303786992 1312006 COC1=CC=CC=C1NC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C3=CC=CC=C3 1 4.439 2 4 -9.70427234505042 1312005 COC(=O)CSC1=C(C2=C(C=CC(=C2)Cl)NC1=O)C3=CC=CC=C3 1 3.348 1 3 -8.8555860832716 1311978 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCCC2=CC=CC=C2 1 2.757 2 3 -20.1289064167796 1311958 C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3 1 3.736 1 4 -9.58623247598576 1311953 COC1=CC=C(C=C1)CSC2=NN=CN2N=CC3=CC=C(C=C3)OC 1 3.679 4 2 -7.06696876605495 1311945 CN(C)C1=NC(=NC(=N1)OC)OC2=CC=C(C=C2)C(=O)OCC(=O)OC 1 2.157 4 6 0 -15.1223191419268 1311916 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC=C(C=C3)Br 1 4.814 4 0 -7.09611798987909 1311854 CCN(CC)S(=O)(=O)C1=CSC(=C1)C(=O)OCC(=O)C2=CC=CC=C2 1 2.709 1 5 -18.1078286861154 1311845 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CSC2=O 1 1.091 2 5 0 -19.2086858792048 1311835 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=CC=C4)C(=O)NCCN5CCOCC5 1 1.431 6 3 0 -24.2123995104603 1311790 CCOC(=O)CC1=C(N=C2C=C(NN2C1=O)C3=CC=C(C=C3)C(C)(C)C)C 1 2.663 3 3 -6.19193533757312 1311777 CCOC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.304 1 7 0 -18.8184256672288 1311776 CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)Br 1 2.789 1 4 -5.12093138553844 1311750 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=C4C(=CC(=C3)OC)C=CC=N4 1 3.995 3 3 -10.710723400733 1311735 COC1=CC=C(C=C1)/C=C(\C(=O)N2CCOCC2)/NC(=O)C3=CC=C(C=C3)Br 1 2.62 2 4 -19.1622771744066 1311663 CC1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC(=O)O 1 4.144 3 5 0 -8.87710616683455 1311667 C1CN(CCN1CC2=CC=CC=C2)N=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.663 4 2 2.1125145323842 1311679 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)C 1 3.997 5 3 0 -24.6877920779284 1311718 CC(C)CC1=NN=C(S1)NC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 3.142 3 4 0 -11.3997514686764 1333153 CC(=O)OC1=C(C2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)OC(=O)C 1 2.187 0 7 0 -3.65301054248954 1333190 COC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O 1 2.05 5 4 0 -25.3983847205235 1333163 CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)O)S(=O)(=O)N3CCCCCC3 1 3.349 2 4 -15.3709131675424 1311656 C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)COC3=CC=C(C=C3)Cl 1 4.292 2 2 -4.85116315094892 1311579 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=NC(=CS3)C4=CC=CC=C4 1 3.794 2 3 -0.89111832446406 1311535 C1=CC=C(C=C1)/C=C(\C(=O)NC2=CC=CC=C2O)/NC(=O)C3=CC=CC=C3 1 3.329 2 3 -12.6557059277887 1311566 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Br 1 2.167 2 4 -19.8998681162144 1311552 C1=CC(=CN=C1)C2=NNC(=S)N2N=CC3=CC=C(S3)Br 1 3.118 5 0 -3.05119959851899 1311513 COC1=C(C=C(C=C1)C(=O)NC2=C(C=C3CCCCC3=C2)OC)Br 1 4.843 1 3 -9.91495648252555 1311504 CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)S(=O)(=O)C 1 4.088 2 3 -15.1997748734467 1311482 COC1=CC(=C(C=C1C=NN2C(=NNC2=S)COC3=CC=CC=C3)OC)OC 1 3.533 4 4 0 -9.272766075784 1311459 CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 4.171 3 3 -2.29977974917608 1311451 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSCC2=CC=CC=C2)OC 1 2.612 1 5 -17.2566542667304 1311440 CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)CC3=CC=CC=C3 1 3.698 1 4 -16.5234942210682 1311429 COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)C3=CC=CC=C3Cl 1 4.025 2 6 0 -1.15870446519073 1311409 CC(C)C1=CC=C(C=C1)C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 4.776 4 1 -4.3806837260604 1311354 C1=CC=C2C(=C1)C(=NS2(=O)=O)N(CCOC(=O)C3=CC=CO3)C4=CC=C(C=C4)Cl 1 3.966 2 5 0 -3.60014585380146 1311301 CC1=C(C=C(C=C1)N2CN=C3N(C2)C(=O)CS3)C 1 3.078 3 1 -13.8552419717153 1311300 C1CSCN1S(=O)(=O)C2=CC=CC3=CC=CC=C32 1 2.27 1 2 -6.11798410042403 1311289 C1=CC=C(C(=C1)NC(=S)NCCC2=CC=CC=N2)Cl 1 4.072 3 0 -9.09417304148467 1311286 C1=CC(=CC=C1C2=NN(C=C2C=C3C(=O)NC(=O)NC3=O)CCC(=O)O)Br 1 1.939 4 5 0 -9.16914553966479 1311254 C1=CC=C(C=C1)NC2=NC(=CC=C2)NC3=CC=CC=C3 1 4.22 3 0 2.9173456383327 1311229 CCN1CCN(CC1)C(=S)NC2=CC=CC=C2Cl 1 4.018 3 0 -7.90818628033395 1311220 CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3 1 3.81 3 2 -10.3437577891101 1311183 COC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3C(=O)O)OC 1 2.996 2 6 0 -12.6123492154476 1311164 CN1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 2.431 3 3 -4.02451922783222 1311150 CC1=CC=C(C=C1)C(=O)CNC2=CC=C(C=C2)F 1 3.586 1 1 -3.47078046944344 1311142 CS(=O)(=O)N(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CC=C2 1 1.477 3 5 0 -14.8597838498271 1311120 COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CC=CC=C3 1 2.667 2 4 -24.5310628603585 1311116 CCOC1=CC=C(C=C1)N(CC(=O)OC)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.53 1 7 0 -19.9051938243618 1311107 CCOC1=CC=CC=C1C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 3.915 4 2 -5.7933961988236 1311090 COC1=CC=CC=C1/C=C/C(=O)NCCC2=CCCCC2 1 3.817 1 2 -10.036519758521 1311052 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC(=CC=C3)Br 1 4.33 4 1 -2.29928910289934 1311013 COC1=C(C=C(C=C1)CC(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4)OC 1 3.84 3 4 0 -4.76206287235727 1311001 CCN1C(=C(C=N1)Br)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC 1 3.222 3 3 -16.3940667539882 1310987 COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O 1 2.864 3 5 0 -17.9077326984649 1310952 CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)Cl)Cl 1 4.61 2 2 -12.650138144437 1310944 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2 1 2.167 2 4 -11.3380971085898 1310943 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.365 2 4 -6.95685520658806 1310913 CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.48 3 5 0 -15.7393825368425 1310900 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCCC2)C3=CC=CC=C3Br 1 2.206 3 4 0 -21.1795739946887 1310886 COC1=CC=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C 1 1.468 3 6 0 -19.1178377975903 1310812 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(S3)Cl 1 4.521 2 2 -16.3126857344166 1310800 CCOC1=CC=C(C=C1)N(CC(=O)NC2CCCCCC2)S(=O)(=O)C3=CC=CC=C3 1 4.23 2 4 -17.4996421164802 1310764 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3F 1 5.82 2 1 -11.6855691984519 1310757 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CO4 1 3.829 3 2 -9.38450984075613 1310735 CC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C 1 1.528 2 4 0 -14.0632566981653 1310685 C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=NC(=O)C4=CC=CC=C4N3 1 2.843 4 1 1.7555119952805 1310679 C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 2.339 2 3 -4.98705873400102 1310670 CC1=C(C(=CC=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O)C 1 3.836 2 5 0 -9.8364385858235 1310668 CSC1=CC=C(C=C1)/C=C(\C(=O)N2CCCCCC2)/NC(=O)C3=CC=CO3 1 3.511 2 3 -14.8706725672699 1310665 C1=CC=C2C(=C1)C(=CN2)CC3=NN=C(O3)SCC4=CC=C(C=C4)Br 1 4.872 3 1 -14.0342978641131 1310660 C1=CC=C(C(=C1)C#N)NC(=O)C2=CC(=CC=C2)COC3=C(C=C(C=C3)Cl)Cl 1 5.389 2 2 -5.42912877031798 1310640 CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)CNC(=O)C3=CC=CC=C3 1 2.088 5 3 0 -20.8711821050293 1310615 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)CC3=CC=C(C=C3)OC 1 2.122 5 3 0 -20.9560822139993 1310600 C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br 1 3.249 2 2 -2.0533992425492 1310572 C1CCC(C1)NC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3 1 2.573 2 4 -16.5724321471671 1310557 CCC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC(=C(C=C2)Cl)Cl 1 4.384 1 3 -5.16545532204704 1310552 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.817 2 5 0 -12.0191228462099 1310538 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.732 3 6 0 -16.5201383178371 1310515 CN(C1=CC=C(C=C1)C(=O)NC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 2.696 3 3 -10.8849322644687 1310485 C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(O3)Br 1 3.982 1 3 -6.21530202895158 1310480 COC1=C(C=C(C=C1)C(=O)N2CCCC2)S(=O)(=O)N3CCOCC3 1 0.493 2 5 0 -21.0826000949396 1310476 C1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=NC=C(C=C3)Cl 1 3.473 2 4 -8.29705016956641 1310474 C1=CC=C(C=C1)CC(=O)NCC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.975 1 3 -15.8888048446838 1310460 CN(C1=CC=C(C=C1)C(=O)NC2=NC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 3.361 3 3 -9.37270711634398 1310433 CN(C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)O)S(=O)(=O)C3=CC=CC=C3 1 3.066 2 4 -8.80036998050548 1310395 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC 1 4.194 1 4 -16.7882844661924 1310377 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)F)S2)C4=CC=C(C=C4)F)OCC(=O)O 1 5.437 2 4 -6.63348051000655 1310371 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-] 1 1.926 2 6 0 -12.7268171023377 1310369 C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)NC3=CN=CC=C3 1 2.7 3 3 -9.48421782979955 1310363 CC(=O)OC1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)OC)OC)C(=O)NC3=C(C=CC(=C3)OC)OC 1 3.101 2 8 0 -10.610199156187 1310328 COC1=CC(=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)Br)OC 1 3.86 2 3 7.14331164334911 1310317 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=CS3 1 1.374 4 3 0 -25.7032593445634 1310312 COC1=CC=CC=C1NC(=O)CCC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-] 1 2.482 2 6 0 -18.3895639523759 1310291 COC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.823 1 5 -20.5375299095594 1310286 C1CCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3F 1 2.807 2 3 -15.0939616988922 1310262 CN(C1=CC=C(C=C1)C(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3 1 3.055 2 3 -17.066042702385 1310254 CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2=NOC(=C2)C)Cl)Cl 1 2.896 3 4 0 -17.234863232982 1310240 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCCC3 1 1.806 2 6 0 -20.3516242735288 1310235 CC1=CC(=NC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3 1 3.592 2 3 -10.9295575266088 1310230 CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2=NN=CS2)Cl)Cl 1 2.231 4 3 0 -12.3622017592741 1310211 COC1=CC=CC=C1NC(=O)C2=CC=CC=C2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.595 2 6 0 -16.940038530874 1310207 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.29 3 5 0 -13.2530306078802 1310191 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3 1 2.447 3 4 0 -20.1332650925955 1310185 CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CO4 1 4.979 2 2 -7.90924301129556 1310155 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CO4 1 4.963 2 3 -7.55832248332729 1310146 COC1=CC=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.482 2 6 0 -13.9771338307051 1310128 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=CS3 1 1.897 3 3 0 -23.5407275738603 1310126 C1=CC=C(C(=C1)NC(=O)CCC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])Cl 1 3.163 2 5 0 -14.9282278820295 1310125 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.671 2 4 -16.6891617350436 1310120 COC1=C(C=C(C=C1)C2=NOC(=N2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC 1 3.671 3 5 0 3.69341306915552 1310106 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.732 3 6 0 -15.9209176084284 1310053 C1CCC(C1)NS(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 3.367 3 3 -4.40780382110727 1310033 C1=CC=C(C(=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl 1 3.163 2 5 0 -13.6345462987699 1310031 CC1=CC=C(C=C1)C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)Br 1 4.954 4 0 -1.83509130606376 1310026 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3 1 4.864 0 4 -12.9647324479342 1310009 COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.356 2 3 1.85005146913418 1310001 COC1=CC=CC=C1NC(=O)C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.595 2 6 0 -16.3408178214654 1309992 CN(C1=CC=C(C=C1)C(=O)NC2=NC=CS2)S(=O)(=O)C3=CC=CC=C3 1 2.305 3 3 -13.2379097524061 1309991 CCC(=O)NC1=CC=CC=C1C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.668 1 3 -14.2023611278728 1309979 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.623 2 5 0 -9.39539357006523 1309962 C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 4.276 2 5 0 -12.8084388024839 1309961 CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3 1 2.709 4 3 0 -19.5244193513887 1309953 COC1=CC=CC=C1NC(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.482 2 6 0 -17.0958823691163 1309944 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC=C(C=C2)Cl 1 4.045 0 4 -10.8243477466634 1309924 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 1.803 2 6 0 -20.685023215302 1309917 COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)F)S2)C4=CC=C(C=C4)F)OCC(=O)O 1 5.421 2 5 0 -12.1704650387417 1309913 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NOC(=C3)C 1 2.039 3 4 0 -30.5759208182713 1309905 COC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)S(=O)(=O)N3CCOCC3 1 0.259 3 5 0 -26.2940838078943 1309875 COC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC=C)Br)OCC3=CC=CC=N3 1 5.027 2 3 -13.5003120346908 1309858 COC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 3.389 2 3 -13.1962602575011 1309824 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC=C(C=C3)C(=O)N4CCCCC4 1 2.007 4 3 0 -14.3382984382624 1309777 C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5 1 2.142 3 5 0 -15.3203156186638 1309768 C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 4.283 4 3 0 -11.5735971908219 1309763 C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)F 1 2.644 3 4 0 -3.92142414076463 1309747 COC1=C2C(=C(C=C1)Br)CC3=C2N=C(S3)NC(=O)C4=CC=CO4 1 3.7 2 3 -1.23568286732834 1309706 CCN1C(=CC(=C1C)/C=C/2\C(=O)NC(=S)S2)C 1 2.78 2 1 7.01255729327567e-002 1309697 C1=CC=C(C(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 2.01 3 5 0 -12.3407466973551 1309687 COCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 1.87 4 3 0 -13.3312310080474 1309676 CC1=CC(=C(C=C1C)Br)NC(=O)CN2C(=NC=C2[N+](=O)[O-])C 1 2.56 4 3 0 -11.0214511926769 1309665 CC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=C(C=CC(=C3)C)OC 1 3.805 3 3 -13.3422172392064 1309650 C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)O 1 5.627 2 4 -12.0496427081902 1309611 COC1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl 1 3.988 3 3 -10.8375219421334 1309596 CC1=C(C=CC(=C1)N2CCOCC2)/C=C/3\C(=O)NC(=O)S3 1 2.278 2 3 4.84167825979954 1309591 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CNC3CCCCC3 1 4.199 2 2 -1.12897489221488 1309556 C1COCCN1C2=NC(=NC(=N2)OC3=CC=CC=C3C=O)N4CCOCC4 1 1.288 5 4 0 -2.2573486610778 1309533 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.028 3 5 0 -10.4584527795559 1309520 CC(=O)N(C1=CC=C(C2=CC=CC=C21)OC(=O)C)S(=O)(=O)C3=CC=CS3 1 2.77 1 5 -7.99819301631116 1309516 C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.671 1 5 -7.8982055812718 1309509 C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)F 1 5.427 2 1 -16.4165709068047 1309500 CS(=O)(=O)N(CC(=O)NC1=CC(=CC=C1)F)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.683 3 5 0 -13.6588653021025 1309484 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)F)C 1 2.65 4 3 0 -11.0379773978894 1309483 CC1=CC=CC=C1CN2C3=CC=CC=C3N=C2CC4=CC=CC=C4 1 5.58 2 0 -3.70736608810156 1309471 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)C(=O)NCCN5CCOCC5 1 -4.1e-002 7 3 0 -24.6616167548082 1309461 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3[N+](=O)[O-] 1 2.121 3 5 0 -23.3337248656069 1309454 CC1(CC(CC(N1)(C)C)N2CCC(=O)N(C2)C3CC(NC(C3)(C)C)(C)C)C 1 1.114 4 1 0 -11.7882194343928 1309451 CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC6=C(C=C5)OCO6)C)C 1 3.439 4 4 0 -26.4087560414485 1309437 COC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)C 1 2.773 2 4 -9.93546820654104 1309422 CC1=NC=C(N1CC(=O)NC2=CC(=C(C=C2OC)Cl)OC)[N+](=O)[O-] 1 1.47 4 5 0 -16.821453040331 1309421 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-] 1 2.915 3 5 0 -4.05883734098948 1309398 CS(=O)(=O)N(CC(=O)NCC1=CC=CO1)C2=CC(=CC=C2)[N+](=O)[O-] 1 0.666 3 6 0 -20.9557524895135 1309395 C1=COC(=C1)C2=NNC(=S)N2N=CC3=CC=C(S3)Br 1 3.663 4 1 -1.15247740682978 1309387 C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)CCSC3=CC=CC=C3 1 3.131 2 2 -12.7173373332165 1309367 CC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C 1 1.528 2 4 0 -17.3806492706792 1309362 CC1=CC=C(S1)/C=C\2/C(=O)N(C(=O)S2)C3=CC=CC=C3OC 1 3.807 1 3 -2.04074559076325 1309356 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3)[N+](=O)[O-] 1 4.723 4 4 0 -13.4886617393396 1309300 COC1=C(C=C(C(=C1)C=O)Br)OCC(=O)NCC2=CC=CC=C2 1 2.948 1 4 -14.4393503208735 1309271 C1CN(CCN1C2=CC=CC=C2F)C(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 3.441 3 3 -0.980001809124034 1309244 CS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2 1 1.556 2 4 0 -6.34227544214092 1309237 COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3)OC 1 3.366 2 4 -10.9824369061869 1309122 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC 1 3.313 4 3 0 -17.8760564436183 1309113 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.181 3 6 0 -8.75835255584878 1309069 C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)F 1 4.379 2 4 -16.3098808141217 1309065 C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 1.46 3 4 0 -2.18157734008877 1309030 CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NOC(=C3)C)OCC 1 2.902 4 5 0 -29.790908776133 1309006 COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.239 2 5 0 -11.9887822805728 1308990 COC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 2.058 2 4 -14.9736063333815 1308965 CCN1C(=CC(=C1C)/C=C\2/C(=O)N(C(=S)S2)CC=C)C 1 3.603 2 1 -13.3897294569073 1308958 CCCC(=O)NC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)N4CCOCC4 1 2.797 4 3 0 -14.227999593724 1308956 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 3.731 2 3 -7.02880216428225 1308940 COC1=C(C=C(C(=C1)/C=C\2/C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Br)O 1 3.62 1 6 0 -0.489178455929064 1308938 COC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3=CC=CO3)N 1 3.065 3 3 -10.0515760936719 1308918 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 2.102 3 5 0 -23.7169801268655 1308898 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 2.758 3 7 0 -13.7483124778231 1308890 CC1=C(C(=CC=C1)OCC(=O)NC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O)C)C 1 4.323 2 5 0 -12.9224351060784 1308854 C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br 1 4.757 4 1 -1.8784906299309 1308800 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.163 3 6 0 -7.31305140228034 1308729 CC(C)CNC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 3.376 3 4 0 -15.1792282588098 1308702 C1CN(CCC1C(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.6 3 4 0 -3.64460481155321 1308688 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3 1 4.769 4 3 0 -9.29475532600588 1308682 C1=CC(=CC=C1CCNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N 1 2.01 3 5 0 -13.5722117101494 1308646 CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.897 3 4 0 -20.5366285019608 1308633 C1CCN(C1)C2=CC=CC=C2NC(=O)COC3=CC=C(C=C3)Br 1 3.821 2 2 -4.59150008584679 1308631 CCOC(=O)N1CCC(CC1)NC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 1.914 6 2 0 -2.88097308545963 1308620 CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N=C(S3)N)OC 1 3.086 3 4 0 -12.0444731030807 1308592 C1CC2=C(C(C3=C(N2C4=CC=CC=C4)CCCC3=O)C5=CC(=C(C=C5)O)Br)C(=O)C1 1 5.061 1 3 -12.9664647418501 1308580 CC(C)OC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.689 1 7 0 -11.1352848801997 1308553 CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)CNC(=O)C3=CC(=CC=C3)C 1 2.923 5 3 0 -21.6367070180063 1308551 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)N(C)C)OC3=CC=CC=C3OC 1 3.119 1 6 0 -8.45787074214817 1308533 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)N 1 2.509 4 4 0 -18.9031053460033 1308519 CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CO4 1 3.812 0 7 0 -11.2273684436108 1308498 CC1=C(C(=CC=C1)C)OCC2=NN=C(O2)SCC(=O)NCC3=CC=CC=C3 1 3.663 3 3 -23.9773110913378 1308454 CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3)[N+](=O)[O-] 1 4.769 4 3 0 -12.3498348939895 1308440 C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)NCC5=CC=CO5 1 2.641 3 5 0 -23.9675608969646 1308427 CCOC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3=CN=CC=C3)N 1 3.081 4 2 -11.1872019712467 1308368 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CNC3=CC=CC(=N3)C 1 3.867 3 2 -2.89099518071328 1308381 CC1=C(C(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NOC(=C4)C)C 1 3.334 3 4 0 -17.7998958512464 1308342 CCNC1=NC(=NC(=N1)OC2=NN(C(=O)C=C2)C3=CC=CC=C3)NC(C)(C)C 1 2.889 7 2 0 -10.2790438179089 1308338 C=CCN1C(=O)CSC1=NC2=NC=CS2 1 1.702 3 1 0 -12.0040038504571 1308300 CC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 5.463 3 2 -11.1808618645088 1308296 COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 5.04 3 1 -3.69944053678981 1308278 COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=NOC3=O)C4=CC=CC=C4 1 4.47 2 6 0 5.02342880783847 1308270 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.476 5 3 0 -7.51407936942053 1308269 CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(N1CCC3=CC=CC=C3)C(F)(F)F 1 3.493 3 2 -5.82963531113298 1308257 CCC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C 1 2.4 3 4 0 -19.5604940643029 1308199 C1COC2=C(O1)C=CC(=C2)NC(=O)CN(C3=CC=CC=C3F)S(=O)(=O)C4=CC=CC=C4 1 3.151 2 5 0 -20.1147601434342 1308148 CC1=CC(=CC=C1)N(CC(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)C 1 2.611 2 3 -10.4559197825532 1308110 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)C4=CC(=C(C=C4)OC)C 1 3.783 4 4 0 -2.20344676245704 1308091 CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)C)S(=O)(=O)C 1 3.541 2 4 -13.2806935641702 1308086 COC1=CC=CC=C1NC2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.338 4 3 0 4.77807845976977 1308083 CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)/C=C/3\C(=O)N(C(=O)N3)C4=CC=CC=C4 1 3.84 2 5 0 -2.50002488769342 1308069 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2 1 3.388 3 3 -9.94550192010413 1308067 COC1=C(C(=CC(=C1)/C=C/2\C(=N)N3C(=NC2=O)SC=N3)Br)OC(=O)C4=CC=CO4 1 3.911 4 5 0 -13.5406459708279 1308042 CCC1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.337 3 4 0 -5.83885866710704 1308026 CC1(CC2=C(C(=O)C1)SC(=N2)NS(=O)(=O)CC3=CC=CC=C3)C 1 2.599 2 3 -12.4336342456288 1308021 C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC=CO3)SC4=C2CCCCC4 1 4.304 3 3 -39.6883093766169 1307982 C1=CC=C(C(=C1)/C=C/C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 1.689 3 5 0 -11.8726740818665 1307976 CC1(CC2=C(C=C(C(=O)N2C3=CC=C(C=C3)OC)C(=O)N4CCCCC4)C(=O)C1)C 1 2.758 2 4 -18.7379164600487 1307962 COC1=CC(=C(C=C1C(=O)NC2=CC=CC=C2C3=CC=CC=C3)OC)OC 1 4.083 1 4 -3.79136337309633 1307958 CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCOCC4)C5=CC=CC=C5 1 3.946 4 2 2.40579340646494 1307951 C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O 1 1.867 2 5 0 -18.2690776862325 1307944 C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.561 4 4 0 -15.8020412461543 1307930 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C(=O)N4C5=CC=CC=C5N=N4 1 4.112 6 1 0 6.50915651075482 1307911 C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.438 3 3 -11.463616330293 1307881 CC1=CN=C(C=C1)N2C(=CC(=C2C)/C=C/3\C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)OC)OC)C 1 4.555 4 4 0 -5.42273363164243 1307868 C1CN(CCC1C(=O)NCCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.723 3 4 0 -12.680760437525 1307829 C1=CC(=CC=C1CC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O)Cl 1 2.076 2 5 0 -14.8099143824728 1307824 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)Br 1 3.516 3 3 -10.7685950301139 1307814 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl 1 3.518 3 2 -4.90855239095431 1307813 CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.135 3 5 0 -6.6606245813988 1307809 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)Cl 1 4.017 4 5 0 -12.1511474267836 1307800 CCOC1=CC=C(C=C1)NC(=O)C2(CCCC2)C3=CC(=C(C=C3)OC)OC 1 4.369 1 4 -11.7935371111974 1307764 CCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CC(=C(C=C3)OC)OC 1 3.307 0 9 0 -13.7309566317911 1307736 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 0.551 3 6 0 -25.0488936375278 1307716 COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)OC 1 2.404 1 7 0 -16.1396298728591 1307710 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4 1 4.691 4 3 0 -9.20844583058159 1307709 COC1=CC=CC(=C1)C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.791 1 4 -9.34700042389272 1307706 COC1=CC=C(C=C1)C2(CCOCC2)C(=O)NC3=CC=C(C=C3)C(=O)O 1 2.369 1 5 -11.6334941021328 1307654 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OCC)Cl 1 4.55 3 3 -11.8270369463382 1307626 CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.423 3 4 0 -10.642615665207 1307562 CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 4.619 1 1 -1.01616480418315e-002 1307536 CC1=C(C=CC(=C1)Br)NC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 5.367 1 1 -4.12840220437604 1307532 CC1(CC2=C(C(=O)C1)SC(=N2)NS(=O)(=O)C3=CC=C(C=C3)Br)C 1 3.341 2 3 -9.5961699506116 1307514 CC1=CC2=C(C=C1C)N=C(N2)SC3=C(N=C(N3CC4=CC=CC=C4)C)[N+](=O)[O-] 1 5.473 5 2 0 -2.80556840583513 1307505 CC(C)(C)C(=O)NC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 4.204 3 2 -10.3941368963847 1307500 CCC1=CC=C(S1)/C=C\2/C(=O)N(C(=S)N2CC(=O)OC)C3=CC=CC=C3 1 4.621 2 3 -7.78896920882524 1307468 CCOC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)N(C)C)N3CCOCC3 1 2.045 5 4 0 -8.14903889803975 1307465 C1CN(CCN1C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Br)C(=O)C4=CC=C(C=C4)Cl 1 5.07 3 2 -3.74053251378503 1307442 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.825 2 4 -8.26797911409037 1307439 CN(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3Br 1 3.37 1 5 -7.26487686416364 1307424 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4 1 4.136 2 2 -12.5618993163973 1307408 CCCC(=O)NC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OCC)OCC 1 3.523 2 4 -19.5100877563757 1307393 COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3C4=CC=CC=C4)OC 1 4.63 2 3 3.35511279980193 1307382 CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCCCC2)S(=O)(=O)C 1 1.51 3 5 0 -15.74802034503 1307368 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NC4=CC=CC=C4N3 1 3.529 4 1 -2.71866895172065 1307341 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)C 1 4.418 3 2 -14.2464259499487 1307323 COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3 1 4.829 3 2 -9.29511669928663 1307318 COC(=O)C1=CC(=CC(=C1)NC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=O)OC 1 2.839 5 4 0 0.112683882517564 1307276 CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=CC=CC=C4N3)OCO2 1 2.573 3 4 0 -12.3057296494252 1307269 C1CCC(C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O 1 5.658 2 1 -10.9886070203812 1307268 C1=CC(=CN=C1)/C=C/2\C(=O)N=C(S2)NO 1 0.858 3 2 0 -4.36039416692937 1307256 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.342 3 4 0 -12.5486197361007 1307220 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC3=CC4=C(C=C3Cl)OCO4 1 4.832 0 5 -3.23934457490401 1307216 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.435 3 4 0 -16.8325277736362 1307209 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)C5CCCCC5 1 3.237 4 3 0 -23.5873625097678 1307205 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4OC 1 4.638 0 6 -9.77550785378636 1307188 CC1=C(C=CC(=C1)N2CCOCC2)/C=C\3/C(=O)N(C(=NC)S3)C 1 2.744 3 2 -3.28215459085467 1307135 C1C(=O)N=C(S1)NC2=C(C=CC(=C2)Cl)Cl 1 3.211 2 1 -4.01432542430457 1307103 CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)OCC(=O)N3CCOCC3)C)OC1=O)C 1 2.424 1 7 0 -18.184200686381 1307095 C1COCCN1C(=O)C2=C(SC=C2C3=CC=CC=C3)NC(=O)CC4=CC=CC=C4 1 3.056 2 3 -11.2149044397036 1307078 CC1=NC(=CC=C1)NC(=O)C2=CC3=C(CCCC3=O)N(C2=O)C4=CC=CC=C4 1 2.441 3 3 -15.319217976983 1307071 C1=CC(=CN=C1)CNC2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)Cl 1 2.656 6 0 -2.02749419202067 1307031 C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)N 1 2.602 4 2 -20.639190016691 1307002 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=CC=C3Br 1 4.881 1 1 -3.35875720998778 1306963 COC1=CC(=C(C=C1)OC)NC2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.321 4 4 0 5.08465201484538 1306962 CCC1=CC=C(C=C1)N(CC(=O)NC2=C(C=C(C=C2)OC)OC)S(=O)(=O)C 1 2.493 2 5 0 -17.0122862404696 1306946 C1CN(CCN1C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl 1 5.38 3 2 -6.13590181809018 1306942 CCOC1=C(C=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC)OCC 1 4.298 1 5 -7.19772351437666 1306940 COC1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C 1 1.772 2 4 0 -18.412418865601 1306936 C1CCCC(CC1)NC(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3 1 4.103 2 3 -18.6421141211756 1306926 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 2.335 3 6 0 -19.0719796714235 1306885 COC1=CC(=C(C=C1)OC)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4Br)[O-] 1 3.929 2 5 0 -6.82758432123836 1306881 C1=CC(=C(C=C1C=NN2C(=NNC2=S)C3=CC=NC=C3)[N+](=O)[O-])Cl 1 3.155 6 2 0 -4.25457019088535 1306878 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CN=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.39 4 5 0 -15.8714529163131 1306851 COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)CC3=CC=C(C=C3)F 1 4.011 1 4 -13.6372466780195 1306848 CC1=C(C(=O)C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)Br 1 4.1 1 2 2.85431877358263 1306834 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CO3 1 3.987 1 3 -7.04225091298871 1306824 CN(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C 1 1.606 3 4 0 -17.0071471022636 1306820 CC1=CC(=C(N1C)C)/C=C/2\C(=O)N(C(=O)S2)CC(=O)OC 1 1.445 2 4 0 -7.73223135724873 1306818 CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)OC)CNC(=O)C3=CC4=C(C=C3)OCO4 1 2.691 5 5 0 -26.0280052823803 1306809 C1=CC2=C3C(=C1)C(=O)N(C3=CC=C2)CC(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5 1 2.02 4 4 0 -10.1043577096395 1306789 CC(C)NC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.911 3 4 0 -17.5865526630833 1306784 CC1=CC=C(C=C1)SCCC(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C 1 2.859 2 3 -8.97157393697716 1306780 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4 1 3.529 2 3 -7.65986146445894 1306775 CC1CCN(CC1)C(=O)COC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC(=O)OC)C)C 1 3.101 1 6 0 -16.8378022406221 1306765 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCOCC3)CC(=O)OC 1 1.133 1 7 0 -17.8677845858783 1306756 CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F 1 4.791 1 1 -3.43482775297672 1306752 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C 1 0.555 3 5 0 -8.66398359525852 1306734 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2 1 2.139 2 4 -11.5754175367133 1306676 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)Br 1 4.079 1 3 -0.543854674658539 1306674 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)S(=O)(=O)C 1 2.872 3 3 -17.5248068355321 1306673 C1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)C=C(S4)CN5CCOCC5 1 2.618 3 2 -16.4717633384035 1306664 CN(C1=CC=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)Br)S(=O)(=O)C 1 2.166 2 5 0 -4.48485734752787 1306656 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)Br 1 4.147 2 2 -5.48427385794471 1306594 C1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 3.423 3 4 0 -9.20374668453256 1306628 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NC=CC=N4 1 3.532 4 1 -13.7685363303484 1306574 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2N)C3=CC4=C(O3)C(=CC=C4)OC 1 3.395 5 4 0 -12.5720249035857 1306572 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br 1 1.51 2 4 0 -14.7776192873187 1306561 CC1=CC=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 5.309 1 2 -5.3460407520644 1306540 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C 1 5.191 4 2 -10.7179518657427 1306519 CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C 1 1.787 4 3 0 -17.2069501483113 1306509 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC(=CC=C3)OC)CC4=CC=CC=C4 1 5.99 0 5 -9.29052163678167 1306472 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC(=O)NCC3=CC=NC=C3)C4=CC=C(C=C4)F 1 2.007 3 5 0 -21.6800533039468 1306466 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)S(=O)(=O)C 1 4.088 2 3 -16.6576192505204 1306464 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=CO3)C4=CC=CC=C4OC 1 4.191 0 6 -7.2609026567856 1306442 C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)N6CCOCC6 1 3.561 7 2 0 6.89705019195918 1306441 CN1C=NC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 2.787 3 2 -0.932656502000791 1306437 C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NC=C(S3)CC4=C(C(=CC=C4)Cl)Cl 1 4.607 6 1 0 -21.6570544907628 1306422 CC(C)(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)OC2=CC=C(C=C2)Cl 1 2.622 2 4 -8.3903012951132 1306410 CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CCC5 1 4.61 4 1 -13.0849044662195 1306384 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=C(C=C3)Cl)Cl)C 1 4.998 2 3 -12.8892356771646 1306381 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)NS(=O)(=O)C 1 1.92 2 4 0 -7.60456710561471 1306380 CN(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl 1 5.444 1 3 -3.06847605316573 1306364 CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)N(C)C 1 2.954 1 6 0 -11.6610318567563 1306355 CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3)C(=O)O 1 5.449 2 4 -10.2212310890756 1306325 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCCC3)CC(=O)OC 1 2.393 1 6 0 -13.7942241225496 1306321 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NC3=CN=CC=C3)S(=O)(=O)C 1 2.65 3 3 -12.9601205675217 1306288 C1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=C(C=C3)F)Cl 1 5.715 3 1 -4.76619331525471 1306267 C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3 1 4.585 3 2 -14.2273657807602 1306259 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.562 3 3 -14.7032585094156 1306251 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C 1 1.935 2 5 0 -17.1622970534595 1306250 COC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3 1 2.571 2 4 -15.470419836546 1306212 COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=CC=CC=C3F)OC 1 2.777 1 4 -17.0297660869921 1306211 COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3 1 4.829 3 2 -9.83867305050543 1306210 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C)OC 1 1.904 2 5 0 -3.67087459569999 1306204 COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC 1 2.65 2 5 0 -23.3295067957255 1306183 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 4.036 3 4 0 -7.27407425633289 1306168 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=S)N4CCOCC4 1 1.808 3 3 0 -14.0939254396572 1306156 CC1=CC=C(C=C1)SCCC(=O)NC2=CC(=C(C=C2)Br)C 1 4.977 1 1 -4.5490516325627 1306134 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3 1 4.082 2 3 -14.561953002883 1306104 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)F)F 1 3.81 2 2 -6.10369096384808 1306081 CN(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C 1 2.674 2 3 -10.751746640814 1306076 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4 1 4.322 3 2 -1.06305798893672 1306043 CCOC1=CC=C(C=C1)N2C(=C(SC2=S)C3=NC4=CC=CC=C4N3)N 1 4.881 4 1 0.151513159937028 1306035 COC1=CC=CC=C1OCC(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N 1 4.869 2 4 -7.03364783757661 1306016 CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC 1 3.211 2 5 0 -9.32909122473431 1306007 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)COC2=CC(=C(C=C2)Cl)C 1 4.539 3 3 -8.48592111574456 1306000 COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.417 2 3 -9.94578397023705 1305978 CC(C)CCN1C2=C(N=C1OC3=CC=C(C=C3)C(=O)OC)N(C(=O)N(C2=O)C)C 1 3.437 4 5 0 -16.2883380926861 1305960 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NN=C(S3)CC4=CC=CC=C4 1 0.97 7 3 0 -27.330192036787 1305956 CCOC1=CC=C(C=C1)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.948 4 3 0 -14.0894457738557 1305949 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=C(C=CC(=C3)Br)O 1 3.617 4 3 0 -6.77497115002896 1305934 CC1=C(C=CC(=C1)N2CCOCC2)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=CC=C4 1 2.983 3 4 0 -1.35771630195897 1305919 CC1=C(C=C(C=C1)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C 1 2.588 4 2 -13.3464678219774 1305912 CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC(=NC(=N2)N3CCCC3)N4CCCC4 1 2.808 7 2 0 -2.39861323727513 1305910 C1CCN(C1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Br 1 2.547 2 3 -8.64268613148905 1305863 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CS3 1 2.637 2 3 -21.7281481291138 1305820 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NN=C(S3)COC4=CC=C(C=C4)Cl 1 4.059 4 3 0 -11.9212113390285 1305717 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=CC(=CC(=C3O)Cl)Cl 1 4.198 4 3 0 -5.65220864697323 1305726 COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCC(=O)NC4CCCCC4)OC2=O 1 3.835 1 5 -12.4830311366197 1305730 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3OC 1 3.785 2 4 -15.751611034657 1305753 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)Br 1 3.023 2 5 0 -14.1423272362652 1305686 CC(C)(C(=O)N(CC1=CC=CC=C1)C2=CC=CC=N2)OC3=CC=C(C=C3)Cl 1 5.088 2 2 -1.57078413270217 1305669 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2CC(=O)OC)C3=CC=C(C=C3)OC 1 3.823 2 5 0 -9.17824952934598 1305664 C1N=C2N(CN1C3=CC(=CC=C3)Br)C(=O)C(=CC4=CC=CO4)S2 1 4.146 3 2 -10.5269316526856 1305658 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC3=CC=C(C=C3)C(C)C 1 2.737 3 3 -15.3759674796549 1305639 CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)C3=CC=C(C=C3)C 1 2.877 5 1 -12.4692378837357 1305638 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.621 3 4 0 -11.1423696051173 1305618 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F 1 4.166 2 3 -10.2318279651458 1305587 COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C3=CC=C(O3)Br 1 2.71 1 4 -18.8118573733836 1305552 COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O 1 5.26 2 4 -6.71664553320662 1305519 CC1(CC2=C(C(=NC(=C2CN1C)N3CCOCC3)SCC(=O)OC)C#N)C 1 2.466 4 3 0 -17.5518768981107 1305511 CCOC1=C(C=C(C(=C1)Br)/C=C\2/C(=O)N(C(=S)N2CC(=O)OC)C)OC 1 3.343 2 5 0 -13.0983482784345 1305500 C1=CC2=NC3=C(C=C(C(=N)N3CC4=CN=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N2C=C1 1 1.99 5 3 0 -19.2050524473166 1305484 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)Cl 1 4.07 2 2 -8.67862452969186 1305474 COC1=CC=CC(=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 1.624 3 6 0 -11.1797106818051 1305472 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC(=O)C3=CN=CC=C3)OC 1 2.421 3 4 0 -12.1842834758927 1305458 CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3)[N+](=O)[O-] 1 4.769 4 3 0 -11.6170955531559 1305433 C1CCCC(CC1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 4.871 1 1 -4.29555242463509 1305430 CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC=CC3=NSN=C32 1 4.364 4 2 -8.9475569516091 1305405 C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=CC=C3C(=O)O)Cl 1 5.213 2 3 -4.4698194382636 1305339 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)F 1 2.092 2 4 -19.2326918007289 1305287 C1=CC=C(C=C1)CCN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)N5C=CC=CC5=N3 1 3.461 4 3 0 -18.522809786836 1305266 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 0.872 3 6 0 -25.6751628483152 1305218 CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.576 3 4 0 -21.2615460621654 1305146 CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3)[N+](=O)[O-] 1 5.072 4 4 0 -12.8289261200368 1305121 CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC(=C(C=C3)OC)OC)OCC 1 3.777 2 5 0 -1.38345726450343 1305064 CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)N4CCOCC4)C 1 3.155 1 7 0 -10.8419991478173 1305059 C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4 1 3.581 4 2 -13.2365859804651 1305053 CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4 1 3.413 4 3 0 -30.746160426771 1304986 C1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-])SC3=NC2=O 1 4.898 4 5 0 -7.9180701707589 1304906 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C=C3)OCO4 1 2.615 1 6 0 -18.4244424574588 1304886 CN(C)C1(CCCCC1)C2=NN=NN2CCOC(=O)NC3=CC=C(C=C3)Cl 1 3.411 6 2 0 -12.3275493585697 1304874 COC1=C(C=C2C(=C1)CCN=C2C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)OC 1 6.07 1 3 2.43475006614163 1304866 COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)N 1 2.509 4 4 0 -19.8165711950128 1304852 COC1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)OC 1 2.404 1 7 0 -15.6740844321405 1304833 C1=COC(=C1)C(=O)OC2=CC=C(C=C2)/C=C/3\C(=N)N4C(=NC3=O)SC=N4 1 3.179 4 4 0 -14.9539536026508 1304822 C1=CSC(=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC=NC=C3)C(=O)C4=CC=NC=C4 1 2.889 3 5 0 -13.5972228112907 1304814 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Br 1 2.464 2 3 -10.1506358606456 1304776 C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3Br 1 5.137 3 1 -7.04468645959944 1304744 CS(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)F 1 2.712 3 3 -3.58006801098653 1304727 CCN1C(=CC(=C1C)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=CC=C3C)C 1 3.072 3 3 -5.18615137419655 1304709 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.834 3 4 0 -10.3335128431052 1304706 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCCO5 1 3.93 3 4 0 -8.31438118984893 1304705 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC(=O)C2=CC=CC=C2 1 3.27 1 4 -8.9946046436425 1304669 CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CN=CC=C5 1 4.992 3 3 -8.91277351067235 1304657 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)N3CCOCC3 1 2.111 2 4 -15.0266455430952 1304656 C1CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4 1 3.513 3 3 -13.0644288886455 1304646 C1=CC(=C(C=C1Br)Cl)NC(=O)CSC2=NC(=CC(=N2)N)N 1 2.748 5 1 -7.97556802891548 1304638 C1=CC=C(C=C1)CSCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.048 2 3 -18.8039859636577 1304611 COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3 1 4.373 3 2 -9.48420453633735 1304606 CN(C1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C 1 2.674 2 3 -6.01526122053663 1304595 C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3[N+](=O)[O-] 1 2.418 3 4 0 -16.6345761859234 1304495 CS(=O)(=O)N(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C2=CC(=CC=C2)F 1 1.683 3 5 0 -13.4555438158758 1304486 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)Br 1 4.147 2 2 -5.08604601466708 1304447 CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 1.7 3 5 0 -17.8011188663996 1304440 C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CC4=CC=CC5=CC=CC=C54 1 5.008 2 2 5.02523358949786 1304439 CCC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC=NC=C3)C(=O)C4=CC=NC=C4 1 4.045 3 5 0 -11.6304124231828 1304436 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC=C(C=C3)C(=O)N(C)C 1 1.09 4 3 0 -14.1096059216535 1304420 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC5=C(C=C4)OCO5 1 3.389 5 2 0 4.33810931007038 1304410 CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)OC)C3=CC(=C(C=C3)OC)OC 1 2.958 0 9 0 -13.0179224977748 1304399 C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)O)Cl 1 5.627 2 4 -9.95825471757412 1304340 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)Cl)CC(=O)O 1 4.202 0 5 -6.47361193141383 1304330 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 3.732 3 5 0 -8.30368021675821 1304301 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC 1 2.179 3 7 0 -19.4759258469582 1304285 CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.262 7 4 0 -4.34216787415598 1304264 C1CCC(CC1)N2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)N5C=CC=CC5=N3 1 3.415 4 3 0 -21.765363819181 1304231 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.61 3 5 0 -14.022771351603 1304219 CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 5.449 2 4 -11.7843682532313 1304193 CN(C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)S(=O)(=O)C 1 2.203 3 6 0 -10.6496578735016 1304191 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C 1 2.914 3 4 0 -13.5286466859794 1304167 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)S(=O)(=O)C 1 3.679 3 6 0 -16.7017072029279 1304164 CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 3.412 4 4 0 0.387922460191474 1304148 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CO4)S(=O)(=O)C 1 3.774 3 5 0 -22.687807234417 1304145 CN(C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C 1 1.587 2 5 0 -13.3688563490086 1304100 CC1=CC=C(C=C1)SCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.835 3 2 -15.990918803535 1304083 COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3 1 4.373 3 2 -8.94064818511855 1304080 CC1=CC(=CC2=C1C3=CC=CC=C3C(=O)O2)OCC(=O)N4CCOCC4 1 2.373 1 5 -13.1187494919457 1304074 C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=CC=CC=C5O 1 4.184 2 3 1.78520463454664 1304063 C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.283 4 3 0 -9.9768535865459 1304049 CN(C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)S(=O)(=O)C 1 2.195 3 3 -5.791072841524 1304048 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=C(C=C3)F)Cl)CC(=O)O 1 4.894 0 5 -4.58443205603231 1304014 CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CCCC4 1 4.95 2 3 -28.0999667344439 1303969 CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3F)C)Cl 1 4.146 3 1 -8.79262376337533 1303935 CC1=CC(=C(C=C1)C)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC=NC=C3)C(=O)C4=CC=NC=C4 1 4.075 3 5 0 -12.4599431526679 1303914 CC(C)(C)CC1=NC2=CC=CC=C2N1CCC3=CC=CC=C3 1 5.298 2 0 -3.02831670471316 1303909 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=CC=C3 1 3.512 2 5 0 -16.1616469804328 1303890 CN1C(=NN=C1SCC(=O)OC)C2=C(C3=C(S2)C=C(C=C3)OC)Cl 1 3.916 3 3 -10.7492183898696 1303882 CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)COC3=CC=CC(=C3)C 1 3.344 4 4 0 -16.0295592544098 1303838 CC1=C(C=CC(=C1)N2CCOCC2)/C=C\3/C(=O)N(C(=O)S3)CC#C 1 3.676 2 3 -4.59991455326541 1303829 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)NC3=C(C=CC(=C3)OC)OC 1 3.761 2 5 0 -13.2458180663638 1303825 C1=CC(=CC=C1COC2=C(C=C(C=C2)Cl)C=C3C(=O)NC(=O)NC3=O)C(=O)O 1 2.725 2 6 0 -4.09936816200639 1303815 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C2=CC=CC=C2)C3=CC(=CC=C3)F 1 3.307 2 3 -6.26079230413871 1303801 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.003 3 5 0 -11.6268638461239 1303782 CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=C(C(=NO4)C)C 1 4.017 3 5 0 0.522486086390062 1303751 COC1=C(C=C(C=C1)CCNC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4)OC 1 3.635 6 2 0 -3.30966463596237 1303714 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.407 2 6 0 -17.7130171779844 1303684 C1=CC(=CC(=C1)Br)C2=NN(C=C2C=C3C(=O)NC(=S)NC3=O)CCC(=O)O 1 2.838 4 4 0 -6.06652406392625 1303654 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=CS4 1 3.09 3 3 -14.2159865929923 1303635 CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC(=C(C=C3)N4CCOCC4)Cl 1 3.268 4 3 0 -11.3608032798677 1303570 CC1=CC=CC=C1CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C 1 1.97 3 5 0 -19.9540425455599 1303546 CN(C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC=CC=C3 1 3.719 2 3 -10.8343611555271 1303531 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CCCCCC2)C3=CC(=C(C=C3)OC)OC 1 4.351 2 5 0 -18.9821403039253 1303519 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=CC=C3[N+](=O)[O-] 1 3.476 5 3 0 -7.58546003788528 1303494 CC1=CC(=CC(=C1)N2CN=C3N(C2)C(=O)CS3)C 1 3.078 3 1 -14.1280523370608 1303437 CC(C)CC1=NC(=NN1)SCC(=O)NC2=NN=C(S2)CC(C)C 1 3.034 6 1 0 -13.570551434173 1303417 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3 1 3.6 2 3 -6.02282217316025e-003 1303410 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC 1 3.518 1 6 0 -10.2590083413224 1303389 CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N=C2OCC(=O)C4=CC=C(C=C4)Cl 1 4.804 3 3 -2.8262995573607 1303386 C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3Cl)CN4C=NC5=CC=CC=C54 1 5.806 5 0 -13.9151170526476 1303359 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)Br 1 3.475 1 3 -11.6346603870619 1303358 C1CCN(CC1)C(=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 4.28 2 4 -4.22165568082226 1303342 C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.15 4 4 0 -18.1951135567887 1303328 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)OC)OC 1 2.42 5 4 0 -26.3223165273865 1303299 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC=C(C=C2)C(=O)OC 1 3.236 0 6 -15.6604802539872 1303251 C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.296 3 4 0 -14.9533436407735 1303250 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC 1 2.821 2 5 0 -12.2689594368788 1303248 CC(=O)NC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.271 3 6 0 -20.5273609308097 1303232 C1COCCN1CCN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=CC=C4)C(=O)N5C=CC=CC5=N3 1 0.719 5 4 0 -25.7773551267244 1303230 CN(C1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)C3=CC=CC=C3 1 3.163 2 5 0 -18.1623505426776 1303207 CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3)CCC4=CC=CC=C4)C 1 6.091 4 1 -18.7501878296749 1303202 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 4.717 3 3 -8.04892182218867 1303187 C1=CC=C(C=C1)N2C=NC(=N2)SCC(=O)NC3=NC=C(C=C3)Br 1 3.208 5 1 -8.23507565091102 1303186 CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.669 3 5 0 -28.6323421373943 1303127 C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)F)F 1 5.633 2 1 -17.8370894084022 1303104 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2 1 2.496 3 4 0 -15.0766802277904 1303094 CN(C1=CC=CC=C1C(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3 1 4.056 2 3 -10.3779177599152 1303069 C1CCCN(CC1)C2=NC=NC3=C2N=CN3CC4=C(C=CC=C4Cl)Cl 1 4.338 5 0 -2.76496848297914 1303068 C1COCCN1C2=NC(=O)N(C=C2)CC3=CC=C(C=C3)Br 1 1.68 3 2 0 -3.02933481825564 1303062 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=N4)CC5=CC=CC=C5Cl 1 3.249 7 2 0 -11.8258681534408 1303060 CCN(CC)C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl 1 3.331 3 2 -10.8933333207187 1303013 CC1=C(C(=CC=C1)C)OCC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC 1 3.512 3 5 0 -22.2041721514209 1303003 CC(C)CC1=NN=C(S1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.856 4 3 0 -13.4585089454653 1302992 CN1C2=C(N=C1OC3=C4C(=C(C=C3)Cl)C=CC=N4)N(C(=O)N(C2=O)CC5=CC=CC=C5Cl)C 1 5.1 5 3 0 -4.06797014669749 1302958 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CC(C)C 1 3.454 4 4 0 -3.01584162727594 1302951 COC1=CC=CC=C1CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=CO4)[O-] 1 2.592 2 5 0 -6.44213048778891 1302949 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C 1 2.112 3 5 0 -10.578983395392 1302947 CCOC1=CC(=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4Br)[O-])OCC 1 4.627 2 5 0 -7.72348822660491 1302929 CCOC1=CC(=C(C=C1)OCC)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4C(=O)OC)[O-] 1 3.734 2 7 0 -13.1569123040407 1302927 CCOC1=CC(=C(C=C1)OCC)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4Br)[O-] 1 4.627 2 5 0 -8.34347926582334 1302925 CCOC1=CC(=C(C=C1)OCC)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=C(C=C4)Cl)[O-] 1 4.543 2 5 0 -6.28760365882523 1302924 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=S)NC(=O)C3=CC=CO3 1 3.851 3 2 -4.55183259859519 1302884 CC1=CC=CC=C1C(=O)NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4 1 3.197 6 3 0 -16.7023029296479 1302878 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)OC 1 1.128 2 6 0 -11.7182257896716 1302858 CC(C)(CO)NCC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2 1 2.03 2 3 -9.39869490992331 1302836 CCOC1=CC=C(C=C1)NC(=O)CNS(=O)(=O)C2=C(C=C(C=C2C)C)C 1 3.168 2 4 -9.68684259746717 1302828 C1=CC=C(C(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C3=CC=CC=C3F)F 1 3.44 2 4 -8.76473742842062 1302820 CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Br)CO 1 3.08 1 3 -4.15453419312481 1302742 C1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)F 1 5.051 3 1 -7.5250472878915 1302741 COC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)N4CCOCC4 1 2.293 1 7 0 -11.6153113940685 1302703 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CCCCC3)[N+](=O)[O-] 1 3.572 3 4 0 -10.1516966171359 1302670 CN(C)C1=NC(=NC(=N1)N2CCOCC2)OC3=CC=C(C=C3)C(=O)OC 1 1.696 5 4 0 -6.81180875485475 1302658 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.909 4 2 -8.453981753885 1302605 COC1=C(C(=CC(=C1)Cl)C#N)OCC(=O)O 1 1.822 1 4 0 -8.30199892656947 1302582 COC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 3.389 2 3 -10.9135894294228 1302558 CC1=C(N=CC=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 3.238 4 1 -6.12789447366657 1302403 CC(C)OC1=C(C=C(C=C1Cl)CNC(C)(C)CO)Cl 1 3.449 1 2 -4.34469114967186 1302385 CCOC1=C(C(=CC(=C1)CNC(C)(C)CO)Br)OCC2=C(C=C(C=C2)Cl)Cl 1 5.387 1 3 -3.97368020924206 1302381 COC1=C(C=CC(=C1)CO)OCC(=O)NC2=CC=C(C=C2)Br 1 2.577 1 4 -9.32850767713171 1302380 CC(C)(CO)NCC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)Br)OC 1 2.762 2 4 -12.6659493353339 1302375 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NCCC3=CC=C(C=C3)F 1 3.932 2 2 -9.06382863460886 1302358 C1=CC=C(C=C1)C2=C(N(N=C2)C3=CC=C(C=C3)C(=O)O)N 1 2.582 3 2 -2.36851835357017 1302330 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4 1 2.4 4 3 0 -14.0952795504783 1302287 C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O 1 4.963 2 4 -10.6525930357316 1302140 CC1=NC(C2=C(N1CC3=CC=CO3)CC(CC2=O)(C)C)(C(F)(F)F)C(F)(F)F 1 3.284 2 2 -9.1194095707154 1302133 CC1(CC2=C(C(=O)C1)C(NC(=O)N2CC3=CC=CO3)(C(F)(F)F)C(F)(F)F)C 1 3.019 2 3 -11.433930036142 1302124 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)CCC3=CC=CC=C3 1 5.049 3 2 -7.706991316929 1302102 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)CCC3=CC=CC=C3 1 3.072 4 2 -20.7446911994999 1302100 CCN(CC)C(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2 1 4.368 3 2 -18.1618170285526 1302088 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O 1 4.339 2 3 -8.80726960987016 1302084 COC1=CC(=CC(=C1)NC(=S)NC(=O)CCC2=CC=CC=C2)OC 1 4.224 2 3 -13.3332932103672 1302080 C1C2=C(C=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3)C(=O)O1 1 3.866 2 3 -14.1820367955257 1302078 CSC1=CC=CC(=C1)NC(=S)NC(=O)CCC2=CC=CC=C2 1 4.798 2 1 -8.04168818206922 1302077 C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O 1 3.887 2 3 -12.0498904527055 1302075 CC1=C(C(=NN1S(=O)(=O)N(C)C)C)CN2C(=O)C3=CC=CC=C3C2=O 1 0.689 4 4 0 -4.88737972229734 1302074 CCN(CC)C(=O)N1C(=C(C(=N1)C)CN2C(=O)C3=CC=CC=C3C2=O)C 1 2.207 4 3 0 -5.5432160360961 1302072 CC1=C(C(=NN1C(=O)N2CCCCC2)C)CN3C(=O)C4=CC=CC=C4C3=O 1 2.427 4 3 0 -5.07545411508832 1302071 CC1=C(C(=NN1C(=O)N2CCOCC2)C)CN3C(=O)C4=CC=CC=C4C3=O 1 1.197 4 4 0 -6.64375056486391 1302067 CC1=C(C(=NN1C(=O)C2=CC=CS2)C)CN3C(=O)C4=CC=CC=C4C3=O 1 2.925 3 3 -5.72386116696929 1302058 CC1=CC=C(C=C1)N(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.336 3 3 -17.0914961551788 1302053 C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)Br 1 2.328 3 2 -4.82771664828896 1302040 C1CCN(CC1)S(=O)(=O)N2C3=CC=CC=C3N=C2CC4=CC=CC=C4 1 3.594 3 2 -3.65412077077153 1302038 C1CN(CCN1CCOC(=O)C2=CC(=CC=C2)Br)C3=NS(=O)(=O)C4=CC=CC=C43 1 3.035 3 4 0 -5.20583582036423 1302022 CN(C)S(=O)(=O)N1CCN(CC1)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3 1 1.533 4 3 0 -21.7258254187124 1302021 C1CN(CCN1C(=O)N2CCOCC2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4 1 2.041 4 3 0 -8.45788543114367 1302019 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCCCC3)C 1 1.435 3 4 0 -13.7574859843772 1301976 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.59 3 3 -14.465938081292 1301934 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CCCCCC2)C3=CC=CC=C3F 1 4.589 2 3 -17.5776914849271 1301910 CC1=CC=C(C=C1)SCC2=C3C(=NN2)OC(=C(C34CCSCC4)C#N)N 1 3.68 4 1 -1.00214318034311 1301900 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC 1 3.537 3 3 -10.7742036529962 1301894 C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.395 3 4 0 -4.51313597539181 1301881 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C3=NN(C(=O)C4=CC=CC=C43)C)N5CCOCC5 1 3.527 4 4 0 -6.84923076902756 1301870 CC1=COC(=N1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C(F)(F)F)C#N 1 4.55 4 2 -8.43327638870253 1301867 C1COCCN1CCSC2=C(C(=CC(=N2)C3=CC(=C(C=C3)Cl)Cl)C(F)(F)F)C#N 1 5.683 3 1 -2.8657097367061 1301849 COC1=C(C=CC(=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=CO4 1 3.727 2 6 0 -7.7586777977352 1301836 CC1=CC=C(C=C1)CC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CC=C3)OC 1 3.887 2 4 -13.0715801725185 1301821 CC1=NN(C(=O)C1)C2=CC(=C(C=C2)C(=O)O)N 1 6.e-003 3 3 0 -6.72768479184496 1301815 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=NN2C 1 -2.e-002 6 2 0 -22.2315227543543 1301813 CN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl 1 3.084 5 2 0 -15.2913671165503 1301812 CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSC3=NN=NN3C 1 1.971 6 1 0 -17.6513337923519 1301810 CC1=CC=C(C=C1)CSC2=NN=C(S2)NC3=CC=C(C=C3)C 1 4.856 3 0 -8.0571727632394 1301809 C1CCC(CC1)NC(=O)C(=S)NC2CCCCC2 1 3.537 2 1 -6.31599611215696 1301808 CN1CCN(CC1)C(=S)C2=CC=C(C=C2)SC 1 3.166 2 0 1.75326727630556 1301802 CSC1=CC=C(C=C1)C(=S)N2CCN(CC2)CCO 1 2.627 2 1 2.56513189113053 1301800 CCOC1=CC=C(C=C1)C(=S)NC2CCCCC2 1 4.322 1 1 -3.34613461127134 1301791 CCN1C=C(C(=N1)C(=O)N2CCN(CC2)C3=CC=CC=C3)Br 1 3.049 4 1 -3.47843404957268 1301790 CCN1C=C(C(=N1)C(=O)NC2=C(C=C(C=C2)Cl)Cl)Br 1 4.119 3 1 -4.13875803327395 1301789 CCN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)OCC)Br 1 2.994 3 3 -10.2656949938444 1301784 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC(C(F)(F)F)(C(F)(F)F)O 1 1.519 3 3 0 -17.0902826051811 1301707 CC1=C(C=CC(=C1)OC)NC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 4.602 1 2 -5.01567889756978 1301702 C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NC3=CC=NC=C3 1 2.956 2 2 -1.35328491631974 1301698 C1=CC=C2C(=C1)N=C(O2)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CN=CC=C5 1 2.745 3 3 6.90814264073477 1301689 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl 1 3.231 2 3 -11.2413380376375 1301683 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.392 3 6 0 -7.10989050229709 1301660 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC=CC=C5 1 3.338 4 3 0 -10.0279281671433 1301658 C1COCCN1C(=O)CSC2=NC(=CS2)C3=CC=C(C=C3)F 1 2.474 2 2 -10.1255373039666 1301648 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)NCCN(C)C)Cl 1 2.889 3 2 -7.89526272310588 1301637 CSC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 1.796 2 5 0 -8.00775646592898 1301634 CN(CC(=O)NC1=NC=NN1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.213 5 3 0 -10.2510214878887 1301626 CC1(CC(CC(N1)(C)C)NC(=O)CN(C)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C 1 2.075 3 3 -15.4279947307556 1301623 CC1=CC(=C(C=C1)NC(=O)COC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OC(=O)C 1 3.488 2 5 0 -11.8778352931083 1301621 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCC(=O)O 1 2.211 2 7 0 -15.9692583522684 1301613 CCCC(=O)NC1=CC=CC=C1NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.809 2 5 0 -17.3888823110488 1301601 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.211 3 5 0 -14.4414415176926 1301595 CC1=C(C=CC(=C1)O)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 1.885 3 6 0 -11.6411869913648 1301561 C1COCCN1C(=O)COC2=CC=CC=C2C(=O)NC3=C(C(=CC=C3)Cl)Cl 1 2.88 2 4 -12.7292990074647 1301554 CC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2OCC(=O)NCC3=C(C=CC(=C3)NC(=O)C)OC)C 1 3.318 3 5 0 -16.2913847237792 1301551 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 1.617 3 5 0 -8.2054104516931 1301536 COC1=CC=C(C=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.099 2 4 -11.8907801319363 1301524 COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)SC)Cl)OC 1 3.794 1 3 -9.21944690838124 1301516 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC(=NO3)C4=CC=CC=N4 1 1.307 4 3 0 0.214668509789789 1301492 CC1=C(C=C(C(=C1CNC(=O)CSC2=NN=C(O2)C3=CC=CC=C3OC)O)C(C)C)Cl 1 4.942 3 4 0 -13.4939009039085 1301485 C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)O 1 2.706 2 6 0 -12.0058254752282 1301479 COC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4 1 1.97 3 5 0 -15.1428600747586 1301470 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)OCC(=O)OC 1 1.128 2 6 0 -11.8769936629278 1301431 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)COC(=O)CCC3=NC4=CC=CC=C4NC3=O 1 1.292 3 6 0 -32.5310437430234 1301415 CN(CC(=O)N1CCC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.528 2 3 -11.4673012013258 1301411 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)NCC3=CC4=C(C=C3)OCO4)Cl 1 4.101 2 4 -8.20328057884531 1301379 C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)O)C(=O)O 1 1.8 2 7 0 -12.8563275185407 1301371 CCOC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Br 1 3.602 1 3 -9.79277125809327 1301366 C1=CC=C2C(=C1)C=CC3=NN=C(N32)SCCC(=O)NC4=CC=C(C=C4)F 1 4.115 4 1 -12.0731674705127 1301360 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 3.366 2 4 -9.07506902751998 1301353 C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=C(S4)N 1 1.843 4 1 0 -14.6834692414754 1301329 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 3.139 2 3 -9.29747415548597 1301315 CCOC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3=CC=CO3)N 1 3.414 3 3 -10.8177992453799 1301261 COC(=O)COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.834 1 4 -16.3620077894033 1301247 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C(C)C)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 2.755 4 4 0 -9.00559149204768 1301245 COC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4)OC 1 2.047 3 5 0 -13.9862846918001 1301231 C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CN=CC=C4 1 0.929 4 3 0 -9.43911908178579 1301230 CC1=CC(=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4 1 2.656 2 5 0 -7.17405647627732 1301227 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NOCC2=CC(=C(C=C2)OC)Cl 1 1.938 2 5 0 -6.30960217547375 1301225 C1COCCN1C(=O)COC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.446 3 6 0 -16.2566541037071 1301223 CC(C)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 2.835 3 5 0 -10.7001522664753 1301211 C1=CC=C(C(=C1)C#N)NC(=O)C2=CC=CC=C2OCC(=O)NCC3=CC=CO3 1 2.302 3 4 0 -17.6384129524915 1301209 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC(C(F)F)(F)F 1 3.211 2 4 -12.4550298511444 1301208 C1COC2=C(O1)C=CC(=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 1.532 2 5 0 -13.1536653160301 1301168 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)NC3=CC=CC=C3C#N)Cl 1 4.205 3 2 -7.62794562907764 1301144 CSC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)OCC(=O)N 1 2.658 2 3 -5.30293090644755 1301114 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C 1 2.248 3 3 -20.310584435272 1301110 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3 1 3.373 2 4 -13.4477492160857 1301101 CN(CC1=NC(=NO1)C2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.627 4 3 0 1.33918280203927 1301094 C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NC3=CN=CC=C3 1 2.956 2 2 -1.63013293765005 1301075 CN1C(=NN=C1SCC(=O)N2C3=C(CCCC3)C4=CC=CC=C42)C5=CC(=CC=C5)[N+](=O)[O-] 1 5.485 5 3 0 -7.16525946101811 1301068 CC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2OCC(=O)N3CCCC3)C 1 3.297 2 3 -9.71323979336063 1301041 COCC1=NN=C(N1CC=C)SCC(=O)C2=CC=C(C=C2)F 1 2.558 3 2 -13.6618534657234 1301021 CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.718 1 6 0 -19.7694758240157 1301012 CN1CCN(CC1)C(=O)COC2=C(C3=CC=CC=C3C=C2)Br 1 2.693 2 2 -7.75586736086595e-002 1301009 CC1=NC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.918 3 3 0 -7.0816846513068 1301007 CN(CC(=O)NN1C=NN=C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 0.53 5 3 0 -7.96089540106209 1300987 COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.865 1 2 1.20978479973529 1300965 CC(=O)NC1=CC=C(C=C1)OCC2=CC=C(C=C2)S(=O)(=O)CC3=CC=CC=C3 1 3.627 1 4 -14.0371484415374 1300948 C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4O3)Cl 1 3.589 3 3 -6.23048660248396 1300916 CCOC1=CC=C(C=C1)NC(=O)CSC2=NNC(=O)N2C3=CC=CC=C3 1 3.162 4 3 0 -16.8242615657498 1300897 CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O 1 4.392 2 4 -11.1761053599777 1300895 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)COC3=CC=CC=C3C(=O)NC4=CC=CC=C4 1 2.986 2 5 0 -21.0728818878483 1300877 C1CN(CCN1C2=CC=CC=N2)C(=O)COC3=C(C4=CC=CC=C4C=C3)Br 1 3.754 3 2 0.155271594082621 1300840 C1=CC(=CC=C1CNC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O 1 1.029 3 7 0 -15.5300736061673 1300837 C1=CC=C(C(=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C(=O)O)Cl 1 4.148 1 5 -7.58224945618792 1300773 C1CN(C2=CC=CC=C21)C(=O)CSC3=NC(=CS3)C4=CC=C(C=C4)F 1 4.438 2 1 -11.4164790616715 1300769 C1COCCN1C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl 1 2.216 2 4 -9.8136963214501 1300764 C1=CC=C(C=C1)CN(CCO)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.42 2 4 0 -14.5971307429341 1300759 C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)CC4=CC=CO4 1 4.79 2 2 -14.8547143662095 1300712 CC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C(=O)O 1 3.97 1 5 -5.910269672861 1300699 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=NN3CC4=CC=CC=C4 1 1.536 7 2 0 -34.8410267189642 1300697 COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4 1 5.715 3 2 -10.6218575770879 1300688 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC(=NO3)C4=CC=C(C=C4)Cl 1 2.941 3 3 2.60457606563589 1300684 CC1=CC(=C(C=C1)NC(=O)CSCC2=NC(=O)NN2)Br 1 1.561 4 2 0 -12.6486711216396 1300682 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4 1 3.863 3 2 -4.19017107460556 1300651 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=CO3)OC4=CC=CC=C4OC 1 3.977 0 7 0 -8.02420732900262 1300622 CC1=CC=C(C=C1)N2C(=C(SC2=S)C3=NC4=CC=CC=C4N3C)N 1 5.241 4 0 0.866070163574409 1300615 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC 1 2.507 2 4 -11.1145117227193 1300610 CC1=CC(=C(C=C1)NC(=O)COC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)OC 1 3.704 2 4 -11.0993343062454 1300606 CCCS(=O)(=O)C1=CC=C(C=C1)COC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 3.596 1 6 0 -19.2251148819793 1300595 CC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3=CN=CC=C3)N 1 3.235 4 1 -10.0080126103945 1300581 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=NOC(=C3)C 1 2.727 3 4 0 -15.1705483116052 1300572 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4 1 1.935 3 5 0 -12.0040430455485 1300571 CC(C)N(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 2.021 4 4 0 -6.11207528432832 1300555 CC(C)CNC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)OC 1 3.746 2 3 -10.6129057917811 1300548 CN(CC1=NC(=NO1)C2=CN=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 1.871 4 3 0 -3.6644376242077 1300533 CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4)C(=O)OC 1 2.421 3 5 0 -13.0043737901674 1300520 CN(CC(=O)NC1=CN=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.761 3 3 0 -7.74055185767075 1300515 COC1=CC=C(C=C1)OCC(=O)NC2=NC(=CC=C2)NC(=O)COC3=CC=C(C=C3)OC 1 2.964 3 6 0 -4.10147063251369 1300507 CCOC1=C(C(=CC(=C1)C=O)Br)OCC(=O)NCCC2=CC=CC=C2 1 3.618 1 4 -13.7026950684105 1300497 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC3=CC4=CC=CC=C4C=C3 1 4.012 3 2 -2.9084259498449 1300495 CC(=O)C1=CC=CC=C1OCC2=CC=C(C=C2)S(=O)(=O)CC3=CC=CC=C3 1 4.246 0 4 -15.166917995256 1300486 CN1C(=NN=C1SCC2=CSC(=N2)N)C3=CC=C(C=C3)OC 1 2.441 5 1 -1.80285692263938 1300461 C1C2=CC=CC=C2C3=C1C=C(C=C3)S(=O)(=O)NCC4=CC=CO4 1 3.169 1 3 -2.71140233533807 1300454 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.928 3 3 5.31132938724612 1300413 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC=C(C=C2)S(=O)(=O)C(C)C 1 3.633 0 6 -16.997190425556 1300404 CC1=CC(=C(C(=C1)Br)OCCN2C(=O)C(NC2=O)(C)C)Cl 1 3.372 2 3 -1.68603675010768 1300403 C1CN(CCC1C(=O)N)C(=O)COC2=C(C3=CC=CC=C3C=C2)Br 1 2.21 2 3 -2.726013532111 1300379 C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)COC(=O)CCC(=O)NC3=CC=CC4=CC=CC=C43 1 4.945 1 5 -19.5486249441683 1300378 CC1=CN=C(C=C1)NC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)C(=O)C 1 2.849 3 4 0 -14.1416720741919 1300364 CC1=C(C=CC(=C1)OCC(=O)N2CCOCC2)NC(=O)C3CCCCC3 1 2.5 2 4 -10.2831795968496 1300347 CC1=CN=C(C=C1)NC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.95 3 4 0 -8.51528196515308 1300334 COC1=C(C=C(C=C1)CCNC(=O)CSCC2=NC(=O)NN2)OC 1 0.622 4 4 0 -19.1601924116052 1300331 COC1=CC=CC(=C1)NC(=O)CSC2=NN=NN2CC=C 1 1.46 5 2 0 -24.4698445932742 1300329 CN(CC1=NC(=NO1)C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.745 3 5 0 -1.89226170182198 1300325 CN(CC1=NC(=NO1)C2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.056 4 3 0 -0.354756550236178 1300319 CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NCC2=CC=CO2)OC 1 3.895 2 3 -8.41670430423639 1300305 C1CSC(=N1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4 1 1.9 3 4 0 -17.5791246316376 1300284 CC(C)C1=C(C=CC(=C1)Br)OCCN2C(=O)C(NC2=O)(C)C 1 3.416 2 3 -1.49821298790424 1300280 CN1CCN(CC1)NC(=O)CN(C)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.006 4 3 0 -4.89495683255626 1300272 CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CNC(=O)NC3=O 1 9.e-002 4 5 0 -21.2351714101197 1300264 CCCS(=O)(=O)C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)NC(=O)C 1 2.787 1 5 -19.3866435158645 1300253 CC1=C(SC(=N1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)C 1 1.673 3 3 0 -8.75839334184269 1300245 CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)CN4CCOCC4 1 1.693 4 5 0 -21.3481511911041 1300229 C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)CCCC(=O)O)[N+](=O)[O-] 1 2.367 2 7 0 -10.912954139393 1300223 C1=COC(=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)COC4=CC=C(C=C4)Br 1 3.817 3 4 0 -1.30469016487311 1300212 CN(CC(=O)NC1=CC=CC=C1C(=O)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.122 3 4 0 -14.6106038620797 1300205 C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NCC3=CC=CC=N3 1 3.178 2 2 -7.25348424335014 1300204 CCN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4 1 3.122 4 3 0 -19.7869907005757 1300201 CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)C4=CC5=C(C=C4)OCCO5 1 5.239 2 3 -7.55380798325826 1300194 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.678 2 5 0 -12.89659070937 1300179 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NCCC4=CC=CC=C4 1 4.371 4 1 -1.11416099891194 1300140 CC1=C(C=C(O1)C2=CC(=CC(=C2)Cl)Cl)C(=O)NCCC3=CC=C(C=C3)OC 1 5.314 1 3 2.26214426630137 1300135 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3 1 3.711 2 3 -9.46909752554584 1300131 C1=CC(=CC=C1CNC(=S)NC2=CC(=C(C=C2)F)Cl)S(=O)(=O)N 1 3.67 3 2 -11.0913646459156 1300084 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C 1 4.399 3 2 -8.10165704662916 1300052 CC1=CC(=C(C=C1)NC(=O)CN2CCCCCC2)Br 1 3.564 2 1 -5.77889841134031 1300017 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NN=NN3C4=CC=CC=C4 1 3.082 9 0 0 -15.2795827582956 1299997 CC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC(=C3)C)C 1 5.535 3 1 -9.05628607161508 1299987 CC1(CC2=C(CO1)C=C3C(=NC(=NC3=N2)SCC(=O)NC4=CC=CC=C4)N)C 1 2.528 5 2 0 -18.1388234450939 1299981 CC1=NC2=C(C=CC=C2S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)C=C1 1 3.25 3 2 -9.08192902686359 1299980 CCN1N=C(N=N1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 0.953 6 4 0 -6.39571367771684 1299941 CC1=CC=CN2C1=NC(=C(C2=O)C=O)N3CCN(CC3)C4=CC=CC=C4OC 1 2.18 4 3 0 -9.26252959360908 1299931 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)CN3C(=O)CSC4=CC=CC=C43 1 1.122 3 4 0 -18.6487198565535 1299868 CSC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC4=C(CCCC4)C=C3 1 5.551 4 2 -18.0265220135712 1299857 CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)N4CCCCC4 1 4.964 3 2 -3.90746197863031 1299852 CCOC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=N2)N)C3=CC=C(C=C3)F 1 3.48 3 3 -0.80107209229356 1299811 CC1(CC2=C(CO1)C=C3C4=C(C(=NC=N4)SCC(=O)OC)SC3=N2)C 1 2.981 3 3 -23.5208242468553 1299804 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.423 2 5 0 -23.536818043219 1299771 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=CC=CC(=C4)[N+](=O)[O-] 1 5.289 2 4 -8.61607464398162 1299766 C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CO4 1 3.315 5 2 0 -11.5367308838605 1299744 COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CO4 1 3.217 3 4 0 -6.49098928613703e-002 1299711 CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)C3=CC4=C(C=C3)C5=CC=CC=C5C4 1 4.447 4 2 -6.05654578213252 1299651 CC(=O)OC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CO4)OC 1 2.985 3 6 0 -4.57775434978519 1299643 COC1=C(C=C(C=C1)Cl)NC(=S)NCCC2=CNC3=CC=CC=C32 1 5.358 3 1 -10.2814599235182 1299637 CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)N3C4=C(CCCC4)C5=CC=CC=C53 1 4.711 5 2 0 -6.94777428102331 1299609 CC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2CCC5=CC=CC=C5 1 4.013 4 1 -13.4000679112522 1299580 CCOC(=O)C1=CC(=C(NC1=O)SCC2=CC=CC=C2)C(=O)OCC 1 2.811 1 5 -11.7512989839023 1299513 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.746 3 3 -12.4414242835756 1299514 CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CN4CCC(CC4)C(=O)OCC 1 3.626 3 4 0 -8.05729247615919 1299520 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)C4=CC5=CC=CC=C5O4)N)C 1 2.922 3 3 -13.653470197121 1299526 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CSC2=NC3=CC=CC=C3S2 1 3.694 2 3 -10.5754108529253 1299532 CC1(CC2=C(CO1)C(=S)N=C(N2CCN3CCOCC3)C4=CC=CC=C4)C 1 2.241 3 2 -11.8391112658966 1299506 CC1=C(C=C(C=C1)C(=O)NCCN2CCOCC2)S(=O)(=O)N3CCCCC3 1 1.384 3 4 0 -23.002721754807 1299483 COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)O 1 3.698 3 3 -8.83739451565603 1299482 CN(C1=CC=CC=C1C(=O)O)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.037 2 6 0 -7.95347028762817 1299473 CN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CC5=C(C=C4)OCO5 1 4.037 4 2 -3.79696622287061 1299466 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2N=C(C=C3)C 1 1.624 3 4 0 -16.0106348956383 1299465 CC(C)N(CC1=NC(=NO1)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3OC 1 3.785 3 3 -1.53485336193627 1299441 CC1=CC(=NC2=C1C(=O)C=C(O2)C(F)(F)F)C 1 2.717 1 2 1.01191823857512 1299413 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCCC3 1 3.771 3 2 -26.9772782723207 1299412 CCC(=O)NC1=C(C=NN1C2=CC(=C(C=C2)C)C)C(=O)N3CCCCCC3 1 3.728 4 2 -7.06138288002421 1299402 COC1=C(C=C(C=C1)CCNC2=NC(=CS2)C3=CC=C(C=C3)O)OC 1 3.74 2 3 4.11529759876144 1299389 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 2.086 2 4 -7.67929518459179 1299361 C1CN(CCN1CC2=CC=C(C=C2)Cl)C3=C4C(=CSC4=NC=N3)C5=CC=CS5 1 5.49 4 0 5.14567743980413 1299351 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.194 2 6 0 -25.4950007646687 1299320 CC1=CC(=CC(=C1OCC(=O)NC2=CC=C(C=C2)NC(=O)C)C)Br 1 3.291 2 3 -7.59787555826762 1299316 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=NC4=CC=CC=C43)C)C 1 4.017 3 2 -7.488930020318 1299279 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCN3CCOCC3 1 0.442 3 4 0 -23.7014832993879 1299275 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)CN4CCOCC4 1 0.86 5 4 0 -19.5657090105558 1299274 CCOC(=O)C1=CC=C(C=C1)COC(=O)CNS(=O)(=O)C2=CC=CC=C2 1 2.235 1 6 0 -13.4466102719336 1299220 COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC(=O)NC4=NC=CS4 1 3.237 5 3 0 -15.1944954051441 1299214 CC1=CC=C(C=C1)CSC2=NN=C(N2C)CC(=O)NC3=CC=C(C=C3)C 1 4.265 4 1 -14.3954631506522 1299194 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C3=CC=CS3 1 3.551 4 3 0 -18.4207807433509 1299185 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5 1 3.791 4 4 0 -15.66585050097 1299183 CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)N3CCOCC3)NC(=O)C)C 1 1.375 4 3 0 -8.65753333157077 1299173 C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CO3 1 3.922 1 2 -7.6596586423776 1299166 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NC=CC(=O)N3 1 2.651 3 3 -11.6741407460245 1299164 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC=C(O2)Br 1 2.242 2 4 -11.0800327777328 1299132 CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CCNC(=O)C3=CC=CS3 1 3.258 4 3 0 -18.7476462040196 1299127 CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)CCOC4=CC=C(C=C4)Cl)C 1 4.699 4 1 5.26591361652522 1299119 C1CN(CCN1CC2=NC(=NO2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl 1 3.78 4 1 12.9429503107474 1299110 CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)OC 1 4.656 2 2 -2.36400478206905 1299088 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)/C=C/C3=CC=CO3 1 4.587 3 2 -1.11252451751646 1299052 C1CC1NC(=O)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CS4)C5=CC=CS5 1 4.7 4 1 -7.68247039940102 1299041 C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3Br 1 4.282 2 3 -11.0687744093069 1299033 CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C)C 1 4.595 3 4 0 -6.92326528245431 1299021 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N3CCOCC3)C 1 1.025 3 4 0 -18.2357209526168 1298995 CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 4.431 2 3 -12.5477990567413 1298985 COC1=C(C=C(C=C1)Br)S(=O)(=O)N(CC(=O)OC)C2=CC=CC=C2 1 2.962 1 5 -12.5598682548961 1298982 C1CCN(CC1)C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F 1 4.443 2 2 -3.94869160148599 1298972 CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=C(C=C2)F)N3CCOCC3 1 2.389 2 3 -7.33898674184839 1298953 C1=CC(=CC(=C1)C(F)(F)F)CC2=CN=C(S2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 5.498 3 4 0 -1.62056569360356 1298924 C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C/3\C(=O)OC(=N3)C4=CC=CS4 1 4.101 1 5 -7.02896642417758 1298897 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)C4=CN=CC=C4 1 1.811 3 3 0 -11.2810425982219 1298878 C1=COC(=C1)C(=O)OC2=CC=C(C=C2)/C=C\3/C(=N)N4C=CSC4=NC3=O 1 2.639 3 4 0 -17.9739020795486 1298874 CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2F 1 4.221 3 2 -17.3931821228455 1298869 CN(CC(=O)NC1=CC(=CC=C1)SC)S(=O)(=O)C2=CC=C(C=C2)F 1 2.33 2 3 -6.50135954995225 1298848 C1COCCN1CCNC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 3.888 4 1 -9.58289266834058 1298840 CCN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)Br 1 4.767 5 1 -7.86467646767609 1298832 COC1=C(C=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)CC3=CC=CC=C3 1 3.371 2 3 -15.5669693821702 1298827 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N3CCOCC3 1 -0.827 4 5 0 -23.6089518156219 1298817 CC1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4 1 3.491 3 2 -1.88101662942693 1298782 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC(=CC=C3)Br 1 3.777 2 4 -9.62109599570278 1298773 CN(CC(=O)NC1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)F 1 1.772 2 4 0 -12.1355541467423 1298712 C1CCN(CC1)C2(CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3)C(=O)N 1 2.214 4 2 -11.7325863849915 1298704 COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3 1 5.595 2 2 -13.2656679485745 1298699 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.137 2 5 0 -3.66667438394378 1298674 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 1.883 3 4 0 -16.3439285709597 1298643 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCCC2)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.352 4 6 0 -22.100546283871 1298622 CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)NS(=O)(=O)C3=CC=CC=C3)C)C 1 3.944 3 2 -0.740952254453638 1298618 CC(=O)C1=CC=C(C=C1)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl 1 5.164 2 1 -10.3120153535246 1298617 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])OC4=CC=C(C=C4)Cl 1 5.666 3 3 10.7263501865636 1298607 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC=CC=C3C(F)(F)F 1 5.008 4 0 -6.93085004718267 1298574 C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4 1 3.28 3 3 -10.9875132267705 1298566 C1COCCN1C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.313 3 6 0 -17.2241152091572 1298562 CC1=CC(=C(C=C1)NC(=O)NC2=C(C=C(C=C2)F)F)OC(F)F 1 4.225 2 2 -3.45703122487463 1298560 CC1=NN(C(=C1Br)C(=O)NNC(=S)NCC2=CC=CO2)C 1 2.157 5 2 0 -10.8265874608214 1298545 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CCCCCC2)C3=C(C=CC(=C3)OC)OC 1 4.351 2 5 0 -16.5225521886764 1298515 CC(=O)C1=CC(=CC=C1)NC(=S)NC2=NN(C=C2)CC3=CC=CC4=CC=CC=C43 1 5.315 4 1 -12.008477219977 1298506 CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)NC3=CN=CC=C3)S(=O)(=O)C 1 2.65 3 3 -11.5732949609356 1298505 CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C)OC1=O)C 1 4.932 1 8 0 -13.8680154420308 1298503 CCOC(=O)C1=CC=C(O1)CNC(=O)C2=CC3=C(C(=CC=C3)CC=C)OC2=O 1 3.336 1 6 0 -18.5217310088025 1298488 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 1 3.943 5 1 -9.88112599431101 1298482 COC1=C(C=C(C=C1)NC(=S)NC2=C(C(=CC=C2)Cl)Cl)OC 1 5.662 2 2 -9.18122335573477 1298459 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Cl 1 3.245 4 2 -16.3251012723572 1298445 CSC1=CC=C(C=C1)C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 4.124 4 1 -2.45902648224222 1298428 CC1=C(C=CC=C1Cl)NC(=O)NC2=CC=CC=C2SC 1 4.215 2 1 -7.43744010470507 1298423 CC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C 1 1.29 2 6 0 -18.4726688153856 1298394 CC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3 1 5.783 3 0 -6.50330907810981 1298390 CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4)C 1 3.052 3 3 -12.1799474845981 1298382 COC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC 1 2.244 2 7 0 -12.3631924191583 1298380 COC(=O)C1=CC=CC=C1NC(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 2.496 3 3 -10.6272750866634 1298379 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(N3)C(=NC=N4)N 1 1.533 7 1 0 -5.70122786760692 1298369 CC1=C(C=CC(=C1)F)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)C)C)C(=O)C 1 3.188 1 5 -11.6024389684698 1298334 COC1=CC(=C(C=C1NC(=O)C2=CC=C(O2)Br)Cl)OC 1 3.209 1 4 -8.2682285690955 1298308 CC(=O)C1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC=CO2 1 2.409 3 3 -9.01566615526715 1298299 C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)Cl)C(=O)C4=CC=CC=C4 1 3.717 3 3 -3.28361024932552 1298291 CC1=C(C(=C(C=C1)C(=O)N2C(=CC(=N2)C)C)F)F 1 3.253 2 1 -7.81159962230719 1298277 COC1=C(C=C(C=C1)Cl)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N 1 3.448 3 3 -12.3665770858476 1298265 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)C(F)(F)F 1 5.498 3 4 0 0.163974823017875 1298261 CCC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)C(=S)N3CCCC3 1 4.69 2 2 -10.6230314705697 1298255 C1=CC(=NC=C1[N+](=O)[O-])SC2=NNC(=N2)C3=CC=NC=C3 1 2.286 6 2 0 -0.638917669905165 1298252 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 4.439 3 3 7.80767329719173e-002 1298236 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3Cl 1 4.07 2 2 -12.0326756477746 1298211 CC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C 1 1.666 3 4 0 -21.2449859799667 1298204 CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.613 2 5 0 -16.5856613647898 1298200 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N)OCC(=O)OC 1 1.496 2 6 0 -11.1535017794108 1298199 COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NN3CCOCC3 1 2.867 3 3 -19.8656879762619 1298197 CN(C1=CC=CC=C1C(=O)NCCC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3 1 3.62 2 4 -14.8371448159705 1298184 COC1=CC(=C(C=C1)NC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)OC 1 2.312 2 7 0 -16.1236004077752 1298178 CCC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 3.485 2 4 -12.1533777462434 1298165 CN(C1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C 1 2.601 2 3 -8.38521669218626 1298163 CC1=CC(=CC(=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC(=CC=C3)F)C(=O)OC)C 1 4.23 1 4 -9.95162669251808 1298160 CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CCN=C3CC4=CC=CC=C4 1 3.123 4 2 -6.91782984995979 1298156 CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 3.715 4 3 0 -15.764326352292 1298134 CC1=C(C=C(C=C1)Cl)NC(=S)NC2=C(C=C(C=C2)OC(F)F)C 1 6.809 2 1 -4.07776080889388 1298117 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 3.845 1 5 -1.14219998934488 1298115 COC1=CC=C(C=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC 1 2.93 2 7 0 -12.3941701722612 1298087 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC4=CC=CC=C43 1 3.6 2 3 -2.26165728914021 1298081 COC(=O)COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N)Cl 1 1.674 2 6 0 -12.8637363275649 1298069 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC=C(C=C3)Cl 1 4.311 5 2 0 -13.0201565286538 1298059 CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2C=CC=C3Br 1 4.521 2 2 -10.8724457894533 1298055 COC1=C(C=C(C=C1)NC(=O)NC2=NC=C(C=C2)Br)OC 1 2.626 3 3 -10.15484502729 1298014 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN(C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=C(C=C4)F 1 2.442 4 5 0 -23.4900568298266 1298005 COC1=CC(=C(C=C1)OC)NC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC 1 2.2 2 7 0 -11.1508870254825 1298001 C1CN(CCC1NC(=S)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4 1 3.974 3 2 -6.09179370480046 1298000 CC1=CC=CC=C1OCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3 1 4.694 0 6 -15.2812869929506 1297960 COC1=CC=CC(=C1)NC(=O)NC2=CN=CC=C2 1 1.355 3 2 0 -3.37568255784664 1297948 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4 1 3.375 2 5 0 -17.423579458689 1297937 C1=CSC(=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)Br 1 3.03 1 3 -10.8875700501663 1297913 COC1=C(C=C(C=C1)NC(=O)NC2=NN(C=N2)CC3=CC(=CC=C3)C(F)(F)F)OC 1 3.502 5 3 0 -8.89617034690262 1297890 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CC2=CC=CC=C2[N+](=O)[O-])OC 1 2.366 2 7 0 -18.2395724719597 1297878 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 2.953 3 3 -8.28539051509115 1297873 COC1=CC=CC=C1NC(=O)CCC(=O)OCC2=CC=C(C=C2)Br 1 3.336 1 4 -14.6361456362737 1297856 COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=C(O3)Br)OC 1 3.075 2 4 1.70031034736284 1297846 CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CCN(CC3)CCC4=CC=CC=C4 1 3.423 4 2 -6.15589592769232 1297801 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.656 3 3 -14.0653523035039 1297783 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3C4=CC=CC=C4C(=O)O 1 4.372 2 4 -4.30377621161189 1297780 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O)C(C)C)C 1 3.997 2 6 0 -16.798860163225 1297668 CC1=C(C(=CC=C1)C)NC(=O)COC2=CC3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C 1 5.873 1 4 -14.1378320394329 1297632 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.13 3 5 0 -16.0811358195875 1297627 CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 5.081 3 1 -6.53508525304763 1297603 CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4 1 3.059 3 4 0 -11.1594928008378 1297596 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 3.115 3 3 -10.2359685004829 1297595 C1COCCN1NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4 1 1.413 4 3 0 -13.1123453030135 1297543 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.066 4 4 0 -18.062912774483 1297523 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 1 2.891 3 4 0 -17.1869962878043 1297481 COC1=CC=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)Br 1 3.336 1 4 -11.5173970978625 1297475 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=CC4=C(C=C3)OCCO4 1 3.664 1 6 0 -14.2759884518361 1297453 C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Cl)C(=O)O 1 4.293 1 5 -4.57071488564983 1297445 C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Br 1 4.353 2 1 -1.73922462230431 1297443 CC1=C(C(=CC=C1)C)NC(=O)C2(CCCC2)N(CC3=CC=CO3)C(=O)C4=CC=CC=N4 1 4.367 3 3 -16.7215630674745 1297421 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)C3=CC=CC=C3 1 3.663 2 6 0 -17.372729168688 1297416 CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2 1 4.611 3 3 -11.5012917584746 1297407 CC1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 1 5.16 1 3 -2.18091472136862 1297406 C1COCCN1C(=O)C2=CC=CC=C2SC3=C(C=CC=C3Cl)[N+](=O)[O-] 1 3.608 2 4 -8.639554049773 1297375 CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 4.461 5 3 0 -14.5220413024537 1297363 COC1=C(C=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)Cl)OC 1 4.456 2 2 -7.7953915771562 1297339 C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)Cl)C(=O)C4=CC=CC=C4 1 3.171 4 2 -5.46105137236885 1297329 CC1=CC(=CC=C1)C(C2=CC=CC(=C2)C)(C(=O)NNC(=O)CN3CCN(CC3)C)O 1 2.072 4 3 0 -8.01784816709213 1297317 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC5=C4N=CC=C5 1 4.197 3 3 -14.1445707128164 1297296 CC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4)C 1 4.025 3 3 -5.64781304416623 1297295 CC1=C(C=C(C=C1)C2C(=CN(C=C2C(=O)OC)C3=CC=C(C=C3)OC)C(=O)OC)[N+](=O)[O-] 1 3.416 2 7 0 -14.7367382789323 1297290 COC1=C(C=C(C=C1)CNC(=S)NC2=CC(=C(C=C2)F)Cl)OC 1 4.932 2 2 -9.86423709330035 1297284 CCOC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C=CC(=C2)Br)Cl 1 5.019 3 2 -6.17269185800672 1297226 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)Cl 1 5.129 1 2 -0.965907435909317 1297223 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=C(O3)Br 1 2.619 3 4 0 -9.33488414725902 1297218 CC1=C(C=CC(=C1)Br)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] 1 5.495 3 2 -8.78967635433524 1297211 C1CN(CCN1CC2=CC(=C(C=C2)Cl)Cl)C(=S)NCCC3=CC=CC=C3 1 5.968 3 0 -5.51568059312284 1297210 C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)O 1 1.838 3 4 0 -7.48820416703568 1297200 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3 1 5.319 3 2 1.66205421037425 1297149 C1COCCN1C(=O)C2=C(C(=C(C=C2)Cl)F)F 1 2.007 1 2 -5.07186610097565 1297143 CC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)C 1 4.325 2 2 -7.56900997931232 1297139 C1=CC=C2C(=C1)N=C(O2)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=NC=C5 1 2.745 3 3 8.32756017481698 1297138 C1=CC=C(C=C1)CCNC(=S)NC2=NN(C=N2)CC3=CC=CC=C3F 1 4.22 5 0 -12.4079020014303 1297113 CCCN1CCC(CC1)NC(=O)NC2=C(C=C(C=C2)F)F 1 2.34 3 1 -4.83835274950289 1297073 CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=CC=CC=C2C(F)(F)F 1 5.689 3 2 -5.3577183424317 1297068 COC1=C(C=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C)OC 1 2.07 2 7 0 -19.8640493436405 1297050 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C 1 1.931 3 7 0 -17.7502124773992 1297013 CC(=O)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Br 1 5.155 4 1 -13.034216178805 1297006 C1=CC(=CC(=C1)Cl)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 3.465 3 2 -10.8670829342496 1296980 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=CS3 1 4.677 3 1 -3.52481811079263 1296963 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.566 3 3 -4.85990550781061 1296959 COC1=CC(=C(C=C1NC(=S)NCC2=CC=C(C=C2)F)Cl)OC 1 4.932 2 2 -9.0982059628799 1296926 CC1=CC(=C(C=C1)OC(F)F)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 4.756 2 2 0.123305262632456 1296921 COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C3=CC=C(C=C3)Cl 1 3.611 2 6 0 -10.3279781214397 1296920 COC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC=CC(=C2)C(=O)OC 1 4.87 2 3 -8.89081128483604 1296916 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Cl)OC 1 2.271 1 5 -13.3639033157787 1296911 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)Cl 1 1.272 2 5 0 -24.3258599243694 1296874 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)NC3=C(C=C(C=C3)F)F 1 4.205 2 3 -10.2744400026919 1296868 CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC)C 1 4.084 3 2 -15.0846965189964 1296864 COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C3=CC=C(C=C3)F 1 3.152 2 6 0 -11.4380997865613 1296848 CC1=C(C=CC(=C1)OCC(=O)NNC(=O)NC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] 1 1.962 4 7 0 -17.4825377076983 1296840 CCN1C(=C(C=N1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC)C(=O)N 1 2.676 5 3 0 -15.8952875710763 1296836 COC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4 1 3.876 3 3 -20.3614548696396 1296810 CN(C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C3=CC=CC=C3 1 3.222 3 3 -13.0669659536184 1296770 CC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC5=C4N=CC=C5 1 4.671 2 3 -0.802115804543201 1296765 CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=NC=CS4 1 4.426 5 2 0 -17.6340776036596 1296758 CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=C2)C(C)(C)C)C 1 4.731 1 1 -2.76762021880018 1296741 CC1=C(C(=CC=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C 1 3.664 2 3 -2.08311849634868 1296735 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)F)Cl 1 3.983 3 2 -2.56686475576364 1296729 COC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C(=CC=C2)Cl)Cl 1 5.551 2 2 -9.04935895400689 1296709 C=CCN1C(=CC(=O)N=C1SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)N 1 3.476 4 2 -19.2877481798477 1296689 CC(C)(C)C1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)Br)Cl 1 4.62 3 2 -7.51501919061427 1296665 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC=C2)F 1 2.292 2 4 -13.6180150340629 1296656 COC1=C(C=C(C=C1)Cl)NC(=O)NC2=NC=C(C=C2)Br 1 3.307 3 2 -6.33315449113683 1296651 C1CN(CCN1C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)Cl 1 4.09 3 4 0 -6.4031101178353 1296639 CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=NC=C3 1 3.589 4 0 -5.15933208729671 1296632 C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 4.639 3 3 -10.2269833850578 1296616 CNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCO3 1 3.045 3 4 0 -13.999718989747 1296603 CSC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.625 2 4 -17.324073259593 1296600 COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)O 1 2.848 2 6 0 -11.9533972552405 1296597 COC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=CS3 1 3.129 1 4 -15.7639721140413 1296592 CN1C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)N4CCOCC4)Cl)N(C(=O)N(C2=O)C)C 1 2.134 6 4 0 -18.1603743457659 1296576 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3)CCC4=CC=CC=C4 1 5.102 4 2 -20.0548350654429 1296567 COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(S2)Br)OC 1 2.639 1 4 -5.31162952327076 1296556 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])OC 1 2.14 2 7 0 -14.23693233946 1296542 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)OC)OC)OC 1 2.252 1 6 0 -10.5537665404467 1296518 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC(=CC=C3)OC)CC4=CC=CC=C4 1 5.504 0 5 -11.6717900037416 1296454 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSCC3=CC(=CC=C3)Cl 1 5.197 1 1 -2.56574400129345 1296449 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=C(C=C(C=C3)F)F 1 1.86 2 4 0 -3.95934637358003 1296417 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC=C(C=C2)C(F)(F)F 1 2.805 2 3 -6.28052335973861 1296394 COC1=CC=CC=C1OCC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3 1 3.884 2 4 2.52483989347021 1296389 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(F)(F)F)OC 1 3.227 1 4 -2.95248588883497 1296368 C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC4=CC=CC5=C4N=CC=C5 1 5.288 2 3 -3.70825999454254 1296326 CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)NC(C)C 1 2.291 2 6 0 -19.7603846596154 1296309 CC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CO4 1 3.993 4 2 -2.40869651056944 1296306 C1=CC(=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Cl)C3=NN=C(O3)C4=CC=CO4 1 4.292 3 3 1.50586538304321 1296291 CC1=CC=C(C=C1)N(CC(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C)S(=O)(=O)C 1 1.186 3 5 0 -13.7637323655631 1296278 CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)C 1 4.001 2 4 -8.3817040499056 1296269 C1=CC=C(C=C1)CCNC(=S)NC2=NN(C=N2)CC3=CC(=CC=C3)C(F)(F)F 1 4.957 5 0 -8.3167304685732 1296266 C1CCC(C1)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 1.951 2 3 0 -11.317643219998 1296251 C1=CC(=CC=C1CNC(=S)NC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N 1 4.129 3 2 -11.3697388441525 1296249 CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3F 1 2.317 5 2 0 -25.460698877651 1296211 COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3 1 3.972 3 3 -10.9546929521062 1296199 C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC4=C(C=C3)OCO4 1 3.948 2 3 -3.11250887315628 1296194 CS(=O)(=O)N(CC(=O)NC1=C(C=CC=C1F)F)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.888 3 5 0 -15.3743374688233 1296193 CC1=CC(=CC(=C1)N(CC(=O)NC2=CC=CC=C2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C 1 5.65 2 3 -9.31337860139188 1296192 COC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)OC 1 3.691 3 3 -1.0101118157642 1296142 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=C(C=C(C=C3)F)F)CC(=O)O 1 3.949 0 5 -6.98379066609398 1296139 CCN1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 1.887 3 3 0 -15.7359919213745 1296132 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=C(C=C2)Cl 1 3.39 1 5 -15.4839823111675 1296071 C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NNC(=O)C2=CC=C(O2)Br 1 4.179 3 2 -7.51756381716553 1296067 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.374 4 3 0 -6.66671123559717 1296035 CCOC(=O)CCC1=C(C2=C(C=C(C=C2)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC)OC1=O)C 1 4.446 1 8 0 -16.5277270707729 1296011 CC(C)N1C=C(C2=CC=CC=C21)/C=C(\C#N)/S(=O)(=O)C3=CC=CC=C3 1 4.209 2 2 -7.11350059973938 1296008 CCCN1CCN(CC1)C(=S)NC2=C(C=C(S2)CC)C(=O)OC 1 4.332 3 2 -14.3341501309759 1296005 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)Br)CCC(=O)O 1 4.742 0 5 -9.71159994102777 1295978 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)F 1 4.623 3 1 -9.14667473695233 1295977 C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 4.22 5 3 0 -4.24214643704188 1295958 CC1=CC(=C(C(=C1)C)NC(=O)COC2=CC=C(C=C2)C(=S)N3CCCCC3)C 1 5.663 2 2 -10.0823138543876 1295946 CC(=O)N(C)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)OC)OC 1 3.66 3 3 -11.3750018967001 1295907 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=C(C=C2)Br 1 2.036 2 4 -6.108825963005 1295844 COC1=CC(=CC=C1)OCC(=O)NNC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 4.421 3 3 -6.59698340138388 1295871 CCOC1=C(C=CC(=C1)C(=S)N2CCN(CC2)C)OCC(=O)N3CCOCC3 1 1.894 3 4 0 -15.041786370348 1295868 CCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC=CC=C2C(=O)O)Cl 1 3.905 1 4 -8.40456338462484 1295810 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=CC=C3Br)CC(=O)O 1 4.772 0 5 -6.73669112531888 1295794 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(=O)C 1 3.236 3 4 0 -7.73183422288052 1295791 COC1=CC=CC=C1N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)S(=O)(=O)C3=CC=CC=C3 1 3.663 2 6 0 -20.5222006855643 1295789 CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CO4 1 2.698 5 2 0 -7.36137517812053 1295756 COC1=C(C=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3)OC 1 4.896 0 4 -5.8459504181964 1295708 COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2)NC(=O)CC3=CC=CC=C3 1 3.417 2 3 -15.9303045608579 1295703 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.835 3 3 -11.2591296760761 1295697 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Br 1 1.985 2 3 0 -13.4134668729916 1295696 COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC(=NN3)C4=CC=C(C=C4)F 1 4.533 5 2 0 1.37495376432352 1295694 COC1=CC=CC(=C1)C2C(=CN(C=C2C(=O)OC)C3=CC(=CC=C3)Cl)C(=O)OC 1 3.7 1 5 -6.11702735530362 1295693 CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C4=CC=CC=C4 1 5.433 2 3 -12.6340673091736 1295674 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)Cl 1 0.94 3 4 0 -24.6952626502362 1295672 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C)OC 1 2.252 3 4 0 -11.9344493761374 1295665 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC(=O)C 1 2.914 3 4 0 -13.8647351723804 1295659 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)OC 1 1.766 3 4 0 -8.70228153230799 1295634 CC1=CC=CC=C1NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.774 3 3 -14.5360004875814 1295630 COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3=NC=CC=N3 1 3.447 5 1 -5.69345137027398 1295628 C1CCN(C1)C(=O)C2=C(C(=C(C=C2)Cl)F)F 1 2.78 1 1 -3.14910113703198 1295605 CCOC1=CC=CC=C1NC(=O)NNC(=O)COC2=CC=CC(=C2C)C 1 2.919 3 4 0 -10.4912940068971 1295601 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2C(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CO4 1 3.288 3 5 0 -22.2415003436841 1295575 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.65 2 5 0 -7.98071034367406 1295573 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)OC 1 1.19 2 6 0 -22.1724259613812 1295552 CC1=C(C=CC=C1Cl)NC(=O)NC2=NN(C=C2)C 1 2.862 4 1 -3.45228615551326 1295549 CC1=C(C=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)CC3=CC=CC=C3 1 3.873 2 2 -13.1710114555416 1295546 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2CCCCCC2 1 2.825 2 4 -18.4203889127063 1295544 CC1=C(C(=C(C=C1)C(=O)N2CCCC2)F)F 1 2.602 1 1 -5.5552357403346 1295523 C1=CC=C2C(=C1)C=CC=C2OCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O 1 3.652 1 4 -3.84241437619549 1295508 CCOC(=O)CCC1=C(C2=C(C=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])OC1=O)C 1 4.463 1 7 0 -14.2097764623488 1295484 COC1=CC=CC=C1N(CC(=O)NC2=CC(=C(C=C2)F)F)S(=O)(=O)C 1 1.977 2 4 0 -14.9081736053808 1295478 CCOC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)S(=O)(=O)C 1 1.017 3 6 0 -25.7347185000189 1295477 COC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 2.252 1 6 0 -5.23763477289905 1295472 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C 1 1.546 3 5 0 -18.676018039405 1295468 COC1=C(C=CC(=C1)C(=S)N2CCCCC2)OCC(=O)N3CCCC3 1 3.278 2 3 -14.2274619362964 1295465 COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)OC 1 5.901 2 3 -9.51241715325941 1295462 CC1=NN2C(=NN=C2C3=C(C=CC(=C3)S(=O)(=O)NC(C)(C)C)OC)C4=CC=CC=C14 1 2.795 5 3 0 -16.1929426915973 1295438 C1=CC(=CC=C1CC(=O)O)NC(=S)NC2=C(C=C(C=C2)Br)Cl 1 5.444 2 2 -6.33225467372169 1295431 CCCS(=O)(=O)C1=NC(=C(S1)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.328 2 5 0 -17.8996720689863 1295430 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)NC2=CC3=C(C=C2)OCO3 1 2.001 2 7 0 -14.8055182252141 1295423 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC(=CC=C3)Cl)CCC(=O)O 1 4.658 0 5 -8.12626803648937 1295422 COC1=CC=C(C=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC(=C(C=C3OC)OC)OC)C(=O)OC 1 2.986 1 8 0 -15.3390988011778 1295418 CN(C1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C4=CC=CC=C4 1 4.333 2 5 0 -23.6701185130472 1295396 COC1=C(C=CC(=N1)C2=CC=CC=C2)C3=NOC(=N3)COC4=CC=CC=C4 1 4.299 3 3 0.145270185382764 1295392 CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 2.085 2 6 0 -14.90431935044 1295391 CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.515 2 4 -9.88511543596756 1295383 C1CN(CCN1C(=O)C2=CC=CO2)C(=S)NCC3=CC=C(C=C3)F 1 3.259 3 2 -11.551378553221 1295362 CC1=C(C(=CC=C1)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3OC)C 1 3.67 4 2 -5.13040308991521 1295336 CN(C1=CC=CC=C1C(=O)NC2=C(C(=CC=C2)Cl)Cl)S(=O)(=O)C 1 3.06 2 3 -10.3777989936383 1295322 COC1=CC(=C(C=C1C(=O)NNC(=S)NC2CCCCC2)OC)OC 1 3.228 3 4 0 -14.8429853493108 1295310 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C)N(C)C 1 2.767 2 4 -10.2577298279392 1295307 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 3.491 2 4 -6.61704080060407 1295301 COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)Br)C(=O)OC)C3=CC=C(C=C3)F 1 4.006 1 4 -9.99567400046964 1295289 C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=CN=C4)Br)F 1 3.868 3 2 4.0866720815065 1295275 C1CN(CCN1C(=O)C2=CC=CO2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.219 4 4 0 -14.2874230768843 1295250 CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC(=CC=C3)F 1 1.366 3 5 0 -23.1997820203531 1295242 CC1=CC(=CC=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)Br 1 3.839 1 3 -9.2878282840243 1295225 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=CC=C2Br 1 3.474 1 5 -16.151351576482 1295218 CCOC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C3=CC=CC=C3)OCC 1 4.718 4 2 -2.20088619503383 1295214 C1COCCN1C(=O)C2=CC=CC=C2OC3=NN=NN3C4=CC=CC=C4 1 1.92 5 3 0 -15.7123034319235 1295194 C1CN(CCN1CC2=C(C=C(C=C2)Cl)Cl)C(=S)NCC3=CC=CO3 1 4.828 3 1 -6.60810257515401 1295190 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCOCC4 1 2.896 3 5 0 -19.2880702464067 1295158 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)C3=CC(=CC=C3)Br 1 4.45 2 3 -12.2216411090693 1295134 CN(C1=CC=CC(=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)F)S(=O)(=O)C 1 2.466 3 6 0 -14.7123257585912 1295087 CCCS(=O)(=O)C1=NC(=C(S1)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)C 1 4.101 2 4 -15.9561174321055 1295086 CC(C)NC(=O)COC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2 1 2.3 2 4 -16.3853935177038 1295075 CC1(CC2=C(C(=O)C1)C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5)C 1 3.656 2 4 -15.2654075004195 1295070 COC1=C(C=C(C=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)OC 1 2.768 3 4 0 -18.3199462863989 1295053 C1CN(CCC1NC(=S)NC2=CC(=C(C=C2)Cl)Cl)CC3=CC=CC=C3 1 5.535 3 0 -1.51513544632516 1295041 CC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2Cl)C(=S)N3CCCC3)OC)C 1 5.369 2 3 -13.9943499657901 1295033 COC1=CC(=C(C=C1NC(=S)NC2=CC(=CC(=C2)Cl)Cl)Cl)OC 1 6.327 2 2 -7.69919272032629 1295005 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.255 3 5 0 -14.5604039722578 1295002 COC(=O)CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.034 1 3 -15.8490966115797 1294981 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)OC)C 1 3.737 3 2 1.66037970339604 1294961 C1CCC(CC1)NC(=O)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3 1 3.415 3 3 -8.19184545680118 1294959 COC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)F 1 4.156 2 2 -10.9705916282727 1294940 C1COCCN1NC(=S)NC2=C(C=C(C=C2)Br)Cl 1 3.255 3 1 -3.70166649273007 1294933 C1CN(CCN1CC2=CC(=C(C=C2)Cl)Cl)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 4.623 4 2 -10.494075033119 1294921 CC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=CC=C3SC 1 3.464 5 1 -26.4624873097815 1294912 CC1(CC2=C3C(=C(SC3=NC(=C2CO1)N4CCOCC4)C(=O)NC5=CC=C(C=C5)OC)N)C 1 2.903 4 4 0 -14.6954359919295 1294884 CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.577 3 3 -27.4717005070554 1294881 C1CN(CCN1C(=S)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.888 3 2 -24.2635083171646 1294876 CC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.185 3 2 -0.444693819454472 1294874 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.486 3 5 0 -12.2794641291293 1294867 CC1=CC(=CC(=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC(=C(C=C3)OC)O)C(=O)OC)C 1 3.766 1 6 0 -9.07119842272392 1294866 CNC(=O)CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)F 1 1.772 2 4 0 -13.106659351423 1294865 COC1=CC=C(C=C1)NC(=O)NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 2.692 3 4 0 -10.4546316066988 1294862 C1CCC2(CC1)C3=C(CCCC3=O)NC(=N2)NC4=NC5=CC=CC=C5O4 1 3.309 4 2 -6.92437904087714 1294840 COC1=C(C=C(C=C1)NC(=O)NNC(=O)CCC2=CC(=C(C=C2)O)O)OC 1 1.754 3 6 0 -9.07075674191399 1294827 COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)S(=O)(=O)C 1 2.703 3 3 -21.3441044616241 1294819 CC1=CC(=CC=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C(=O)OC 1 3.174 2 8 0 -8.79555955848365 1294815 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=CC=C(C=C2)Cl 1 4.301 2 3 -6.40701749931522 1294813 CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5 1 4.319 2 4 4.37515764572341 1294812 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC(=CC(=C2)Cl)Cl 1 3.613 1 4 -2.6201348002454 1294802 CCOC1=C(C=CC(=C1)C(=S)N2CCCC2)OCC(=O)NC3=C(C=C(C=C3C)C)C 1 5.539 2 3 -15.9214147518176 1294797 COC1=C(C=CC(=C1)C(=S)N2CCCCC2)OCC(=O)NC3=CC=C(C=C3)F 1 4.393 2 3 -13.5153221296971 1294784 CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3 1 1.364 3 4 0 -11.5298608418157 1294766 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O 1 1.611 2 5 0 -14.3555767222376 1294764 COC1=CC=C(C=C1)N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)F 1 3.868 2 6 0 -15.973897191234 1294757 CCOC(=O)C1CCN(CC1)C(=O)COC2=CC=C(C=C2)Br 1 2.503 1 4 -9.0028377890972 1294737 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br 1 3.482 3 1 0.108686697196459 1294727 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC(=S)N3CCOCC3 1 3.174 6 1 0 -8.1411538612857 1294684 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.272 3 4 0 -13.6643595235794 1294670 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)Br)C(=O)OC)C 1 3.108 2 5 0 -21.272474601368 1294633 CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)NC(=O)/C=C/C(=O)O 1 3.054 1 5 -7.25996137113362 1294601 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CCCC4 1 2.768 3 3 -15.3359817683323 1294585 COC1=C(C=C(C=C1)Cl)NC2=NC(=NC(=N2)N3CCCC3)N4CCCC4 1 3.075 6 1 0 1.03809699599664 1294578 CC1=C(NC2=C1C=C(C=C2)C3=NNC(=S)N3C4=CC(=CC=C4)OC)C 1 4.587 4 1 0.132407541653949 1294576 C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=S)N2C3=CC=C(C=C3)Br 1 4.321 4 2 -4.82818812346031 1294572 CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)Cl)Cl)OC3=CC=CC=C3 1 5.461 3 2 -8.47021023704423 1294568 C1COCCN1C2=CC=CC=C2NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 2.826 3 4 0 -8.0568977253869 1294565 CC1=CC=C(C=C1)C(=O)NC(=O)CSC2=NN=C(S2)C 1 2.1 3 2 -17.8336315777256 1294521 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.992 1 5 -9.60202291452246 1294515 COC1=CC=C(C=C1)C2=C(N3C=CC4=CC=CC=C4C3=N2)CN5CCCCC5 1 4.615 3 1 1.44197149452572 1294501 C1CCN(CC1)CCN2C3=CC=CC=C3N4C2=NC(=O)C(=N4)CCC(=O)O 1 -1.053 5 3 0 -15.6188718135963 1294499 C1=CC=C2C(=C1)N(C3=NC(=O)C(=NN23)CCC(=O)O)CC(=O)C4=CC=CS4 1 2.135 4 4 0 -19.0410746923591 1294497 COC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3N4C2=NC(=O)C(=N4)CCC(=O)O)OC 1 2.149 4 6 0 -21.3022225249466 1294495 C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N4C2=NC(=O)C(=N4)CCC(=O)O 1 2.182 4 4 0 -17.279717554972 1294476 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC(=O)C=C(N3)C 1 3.034 4 2 -14.308894057383 1294460 C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)F)F 1 3.032 1 1 -6.70466089031516 1294449 C1CC1NC(=O)COC2=CC=CC=C2F 1 1.568 1 2 0 -7.7907637778282 1294442 C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)O)N3C(=O)C4=CC=CC=C4C3=O 1 3.604 2 4 -5.98061824732242 1294441 COC(=O)C1=CC=CC=C1NC(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.11 2 5 0 -16.7681542181537 1294440 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC=C(O3)Br 1 2.427 2 3 -6.89640290012764 1294439 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)NC2=CC=CC=C2 1 2.254 2 3 -9.81745014298744 1294420 CCN(CC(=O)NC1=CC=CC(=C1)C(=O)C)S(=O)(=O)C2=CC=C(C=C2)C 1 2.158 2 4 -17.5782570845567 1294388 CCOC(=O)C1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 1.373 2 5 0 -13.7491635715946 1294383 CC1=CC(=NO1)NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCC3 1 2.079 3 4 0 -25.2119098545821 1294382 COC(=O)C1=CN(C2=CC=CC=C21)C(=O)C3=C(C=CC(=C3)Br)Cl 1 5.045 1 3 0.406944705020108 1294380 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4 1 3.808 2 4 -5.58905957876694 1294379 CC1=CC(=C(C=C1)NC(=O)COC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 3.116 2 4 -8.90251580503181 1294377 CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)NC3=CC4=C(C=C3)OCO4)Cl 1 4.138 2 6 0 -8.68614521598617 1294349 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCCC3 1 2.726 2 3 -23.6226395321211 1294333 C1CN(CCN1CC(=O)NC2=CC=CC=N2)CC(=O)NC3=CC=CC=N3 1 0.327 6 2 0 -4.13457980015166 1294322 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)OC 1 4.343 3 3 -3.07442200699541 1294303 CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)NCC4=CC=CO4)C(=O)CC(C3)(C)C 1 2.903 2 4 -22.9008499806085 1294300 CC1=CC(=NO1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3)OC 1 2.224 3 5 0 -19.8358421537989 1294296 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)NCC4=CC=CC=N4 1 4.567 3 1 -9.46508955306291 1294294 C1COCCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CO4 1 3.263 2 4 -7.90320727351453 1294290 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)OC)OC 1 2.068 4 5 0 -13.0043789249317 1294283 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2OC 1 2.036 2 5 0 -12.6643377634115 1294263 C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC3=NC(=NO3)C4=CC=CC=C4)N 1 2.88 5 2 0 -4.94402270103041 1294255 CC(C)(C)C(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3 1 5.199 1 1 -8.60354894408745 1294250 C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3F 1 3.821 3 2 -11.0992982086708 1294232 COC1=CC(=CC=C1)OCCN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 4.744 1 4 -6.42656306699971 1294222 CNC(=S)NC1=C(C=CC(=C1)C(=O)N2CCCC2)N3CCCC3 1 3.01 4 1 -12.1061704308389 1294215 C1COCCN1C(=S)SCC(=O)NC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.724 3 3 -6.03812754183514 1294205 CC(=O)C1=CC(=CC=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C 1 -0.36 2 5 0 -18.3241861314598 1294200 CCOC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)N(C)C 1 1.378 3 5 0 -19.2508113134477 1294195 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2CCCCC2)S(=O)(=O)C 1 1.743 3 6 0 -18.2397540009651 1294191 C1COCCN1CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl 1 3.662 3 2 -9.24825798310639 1294157 CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2 1 2.676 2 3 -19.4174930400892 1294147 CN(C1=CC=C(C=C1)C(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.289 2 4 -10.8773833347971 1294143 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC 1 3.226 3 7 0 -19.4809805433105 1294134 CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3 1 4.326 3 3 -13.1155776364515 1294128 CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2SC 1 3.369 1 1 -9.59901088671828 1294122 COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3 1 3.599 3 3 -10.8842028219994 1294110 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CSC4=CC=CC=C43 1 3.718 2 2 -1.05195952125478 1294108 CCOC1=CC=CC=C1NC(=O)CCC(=O)NC2=CC=CC=C2OCC 1 2.615 2 4 -10.6173904028177 1294021 CS(=O)(=O)N(CC(=O)N1CCCC1)C2=CC(=C(C=C2Cl)Cl)Cl 1 2.666 2 3 -12.0804266464247 1294017 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.707 3 2 2.82023994228764 1293981 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)F)F 1 3.571 3 1 2.20708025325508 1293926 COC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)NC4=CC5=C(C=C4)C(=O)NC5=O)C(=O)CCC3 1 1.58 3 6 0 -20.0123726258517 1293958 CCS(=O)(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NS(=O)(=O)CC)OC)OC 1 1.835 2 6 0 -6.58792265190387 1293953 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=C(C=CC=C3Cl)F 1 3.578 3 4 0 -17.3539576207325 1293939 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC=NC=C2)C(=O)OC)C 1 1.995 3 4 0 -21.6798348517558 1293902 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)O 1 0.738 4 5 0 -21.0916605771651 1293889 CCOC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 4.171 3 3 -1.99169144693124 1293886 CC1=CC=C(O1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C 1 2.109 4 4 0 -12.4572229996381 1293861 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C(=O)OC 1 4.72 0 6 -15.1400964214744 1293859 C1CCN(CC1)C(=S)SCC(=O)NC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.954 3 2 -4.46983109205955 1293846 C1COCCN1C2=CC(=C(C=C2)NC(=O)C3=CC=CO3)N4CCOCC4 1 1.709 3 4 0 -3.92559034831585 1293833 CCN(CC)C(=O)CSC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 2.626 4 2 -27.6006538088496 1293832 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=N3)Br 1 2.329 3 3 -15.6553261252214 1293819 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3 1 -0.181 5 3 0 -16.5384180923852 1293817 C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.51 4 4 0 -11.9204082234267 1293810 CCOC1=C(C=C(C=C1)CC(=O)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N)OCC 1 4.433 2 4 -12.3423084729222 1293777 CC(=O)NC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C(C=CC=C2Cl)F 1 2.318 2 4 -15.1492033176712 1293763 CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C)S(=O)(=O)N3CCCCCC3 1 2.326 4 3 0 -25.0890605092075 1293762 COC1=C(C=C(C=C1)C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)OC)OC 1 3.261 3 6 0 -7.90817095167291 1293729 COC1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 2.379 2 4 -14.3820528215158 1293728 CC(C)COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=NN3C=NN=C3)Cl 1 3.961 4 3 0 -3.05909235863934 1293677 CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)N3CCCCCC3)Cl 1 4.372 2 4 -16.1791717255903 1293669 COC(=O)COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.834 1 4 -16.2884394396018 1293666 CC1=CC(=NO1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4 1 1.218 4 4 0 -18.4064426865296 1293658 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3)NCC4=CN=CC=C4 1 1.661 4 4 0 -21.3212098171592 1293648 COC1=CC=C(C=C1)N(CC(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)C 1 2.108 2 4 -10.5146561604189 1293631 C1CN(CC2=CC=CC=C21)C(=O)CN(C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.776 2 3 -14.1691793729783 1293625 COC1=CC=CC=C1CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.371 2 3 -11.5070727270738 1293621 COC1=CC=C(C=C1)C2(CCOCC2)CNS(=O)(=O)C3=CC=CC=C3 1 2.449 1 4 -14.632960849623 1293615 CSC1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=C(C=C3)Br 1 4.379 4 0 4.91490354695989 1293614 CC1=CC=C(C=C1)NC(=O)C2=CC(=CS2)S(=O)(=O)NC3=CC=C(C=C3)C 1 4.028 2 3 -4.07548464773516 1293594 C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O 1 4.077 2 3 -7.94795156872667 1293585 COC1=CC=CC=C1OCC(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CO4 1 3.053 3 5 0 -3.95398176312884 1293582 C1=CC=C2C(=C1)C3=C(C2=O)C=CC(=C3)C(=O)OCC4=CC=C(C=C4)F 1 4.567 0 3 -4.59554403085642 1293548 CC1=CC=C(C=C1)SCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3 1 3.674 2 3 -7.19978643628698 1293541 CC1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC=C4C(=O)O 1 3.955 2 5 0 -22.7604113592175 1293529 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC)S(=O)(=O)N3CCCCC3 1 2.343 3 4 0 -24.8880551515593 1293505 CC1=C(C=CC=C1NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O 1 4.26 1 3 -11.8400409391815 1293489 C1COCCN1C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4 1 2.208 4 5 0 -6.92584053385988 1293458 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC 1 1.18 2 5 0 -17.7583761604177 1293454 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CN=CC=C4 1 2.189 4 3 0 -14.8833112487042 1293430 C1=CC=C(C=C1)CSCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.429 2 4 -16.9127967847678 1293428 CC1=CC(=C(C=C1)NC(=O)COC2=CC=CC=C2)NC(=O)C3=CC=CC=C3C 1 4.207 2 3 -12.7026810496772 1293420 CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)NC3CCCC3)Cl 1 4.195 2 4 -11.1807145214584 1293416 CN(C)C1=CC=C(C=C1)C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 3.744 5 1 -7.32542980132469 1293415 C1CC1C(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)C4CC4)O)O 1 3.076 2 4 -1.88371136899383 1293411 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO 1 4.639 2 3 -3.39405869174605 1293387 C1=CSC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO 1 4.106 2 3 -3.914495062893 1293379 COC(=O)C1=CC(=CC=C1)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 3.304 1 6 0 -12.7626243751444 1293374 C1COCCN1C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)N4CCOCC4 1 3.062 3 3 -4.46610380101727 1293360 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=NC(=NO2)C3=CC=C(C=C3)Br 1 3.348 3 3 0.539716482380193 1293322 CS(=O)(=O)N(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C2CCCCC2 1 3.193 2 3 -8.96208716673875 1293271 COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3 1 3.913 3 5 0 -10.6241270988006 1293269 CS(=O)(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2 1 2.893 1 3 -6.6737717826999 1293250 CC1=CC=C(C=C1)SCCC(=O)NC2=CC=CC=C2C(=O)NC3CCCCC3 1 4.808 2 2 -12.4384101268789 1293242 C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC4=CC=CC=C4OC3=O 1 3.076 4 3 0 -22.1942668115746 1293193 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 4.352 3 2 -4.63985513714588 1293110 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)NC2=CC(=C(C=C2)OC)OC 1 2.108 3 5 0 -13.7370929151753 1293115 CNS(=O)(=O)C1=CC2=C(C=C1)C3=C(C=C(C=C3)S(=O)(=O)NC)OC2=O 1 0.772 2 6 0 -13.3444744142727 1293118 CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3 1 2.863 4 1 1.53325827748366 1293158 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=CC=C3Cl)F)CC(=O)O 1 4.894 0 5 -8.03939521321268 1293145 CC1=C(C=CO1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.646 2 2 -9.13169078185977 1293092 CN(C1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)C 1 1.587 2 5 0 -16.7067900544385 1293053 CC1=C(C=CC(=C1)Cl)OCC(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3 1 4.602 3 3 -4.83119997473573 1293052 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4 1 3.183 3 4 0 -11.4326155127776 1293035 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br 1 4.107 3 3 -5.42841096197587 1293023 CCC(CC)C1=NN=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 2.275 4 3 0 -13.5645184064617 1293020 CCN1C=C(C(=N1)C)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C=CC(=C4)OC)OC 1 4.003 4 3 0 -14.3013564598134 1293006 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=NN=C(S2)C3CCCCC3)C 1 4.637 3 2 -3.15209676857921 1293002 COC1=CC=CC=C1N2C=NC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)Br 1 4.347 3 3 -3.45006565054856 1292991 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(=C(C(=N2)C)Br)C)C 1 4.266 2 2 -3.07139881730299 1292973 C1=CC=C(C(=C1)C(=O)NCC2=CC=CS2)C(=O)NCC3=CC=CS3 1 2.893 2 2 -10.4838971584672 1292964 C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 3.026 2 4 -9.66168274519356 1292951 CC1=CC(=NC(=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C 1 4.673 3 3 -5.43278425256696 1292943 C1OC2=C(O1)C=C(C=C2)NC(=O)CSCC3=C(C=CC=C3Cl)Cl 1 4.112 1 3 -12.7436399714079 1292940 C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)N6CCOCC6 1 3.105 7 2 0 7.25151870612726 1292929 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=C(C=C(C=C3)F)Cl)CC(=O)O 1 4.407 0 5 -6.83991183419307 1292893 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NCCS4)C 1 5.208 3 1 -9.72548617570067 1292885 CC1=NC(=NC2=CC=CC=C12)NC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl 1 4.207 5 1 -3.57712515552437 1292883 C=CCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)COC3=CC=CC=C3)C(=O)C4=CC=CC=C4 1 3.858 1 6 0 -8.66292413265284 1292871 COC1=CC=CC=C1OCC2=NN3C=NC4=C(C3=N2)C(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6 1 5.267 4 3 0 -8.6799001353234 1292869 CCC1=CC=C(C=C1)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.558 4 2 -13.1496945487826 1292837 CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3)Br 1 4.696 3 3 -11.4138585580895 1292808 C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CN=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.084 5 4 0 -11.9837564381055 1292803 C1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)NC(=O)C(Cl)(Cl)Cl 1 3.507 5 1 -5.78325968559122 1292784 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CS5 1 4.384 4 3 0 -21.8730547718946 1292746 CN1C2=CC=CC=C2N=C1NC(=S)NC3=CC=CC=C3 1 4.157 4 0 -3.9585393992514 1292700 CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3N=C2NC(=O)C4=CC=CO4 1 4.391 3 3 -5.2157650755504 1292696 C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=CS4 1 5.4 4 0 -10.9217227856668 1292692 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 3.478 2 4 -13.6857951944004 1292688 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)C(=O)N 1 2.474 4 4 0 -12.1221957746867 1292683 CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=NC=C4 1 2.523 5 1 -15.4316582578036 1292678 CCOC1=CC=CC=C1NC(=O)C2=CN=C(C=C2)C(=O)NC3=CC=CC=C3OCC 1 3.342 3 4 0 -14.6722045787752 1292671 CN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4 1 2.773 4 3 0 -19.0028420253253 1292664 CCN1C(=CC(=C1C)/C=C/2\C(=O)N(C(=O)S2)CC#C)C 1 3.279 2 2 -8.14105165192594 1292651 CCS(=O)(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NS(=O)(=O)CC 1 2.324 2 4 -4.29416043638988 1292635 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5 1 4.464 5 3 0 -11.1313841874909 1292621 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCN3CCOCC3 1 0.898 3 4 0 -24.055951813556 1292590 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCN3CCOCC3 1 1.354 3 4 0 -24.055951813556 1292578 C1CCN(CC1)C(=O)/C(=C\C2=CC=CC=C2Cl)/NC(=O)C3=CC=CO3 1 3.177 2 3 -14.7136411570329 1292560 C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl 1 6.149 3 3 -1.65485696527065 1292555 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)Br 1 3.06 4 3 0 -10.2687149884139 1292521 CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 5.284 2 2 -7.25120821668524 1292507 CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NCC4=CC=CO4)SC(=C3C)C 1 4.542 3 3 -30.2919072132363 1292499 CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O 1 5.646 1 3 3.28879391176279 1292494 C1=CC(=CC(=C1)Cl)/C=C/C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 2.459 2 3 -8.01294693738291 1292483 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC4=C(C=C3)OCO4 1 3.071 1 6 0 -20.1398861934613 1292481 CN1C(=NN=C1SCC(=O)NC2CCCCCC2)C3=CC=CS3 1 3.736 4 1 -16.9410535322211 1292479 COC1=CC=CC(=C1)C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=NC=C4 1 2.762 4 3 0 2.90011779540994 1292460 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3 1 5.131 3 3 -7.85078447394473 1292449 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN(C=N3)C4=CC=CC=C4 1 3.33 5 1 -3.34714252418049 1292429 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl 1 4.153 3 2 -5.27376318681323 1292428 CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)Br)C=NO 1 3.511 2 3 3.76862881097819 1292369 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)CNC(=O)C3=CC=C(C=C3)OC 1 2.071 5 4 0 -23.6977876043287 1292350 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)C)C 1 4.461 3 2 -10.5972695191955 1292336 CCCC1=CC=C(C=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 4.559 3 4 0 0.577008110727233 1292323 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)Br 1 3.457 3 4 0 -15.658458988149 1292322 CC1=C(C=C(C=C1)NC(=O)CN2C=NC=C2C3=CC=C(C=C3)[N+](=O)[O-])C 1 3.236 4 3 0 -6.58417036353952 1292315 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC=C(O3)Br 1 4.197 1 2 -11.025562049435 1292313 C1CC2=CC=CC=C2N(C1)C3=NC(=NC(=N3)CSC4=NN=NN4C5=CC=CC=C5)N 1 3.332 9 0 0 -19.5455836064032 1292294 CC1=C(C(=C(S1)NC(=O)/C=C/C(=O)O)C(=O)N)C2=CC=C(C=C2)C(C)(C)C 1 3.046 2 4 -2.40762725974475 1292288 COC(=O)C1=CC=C(C=C1)NC(=O)CN(C2CCCCC2)S(=O)(=O)C 1 1.72 2 5 0 -13.6673526253242 1292281 COC1=CC(=CC(=C1OC)OC)C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br 1 3.843 3 6 0 -2.87874578796187 1292276 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3 1 2.489 2 5 0 -19.863381112237 1292260 COC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N3CCCC3)N4CCCC4)OC 1 2.395 6 2 0 -2.55698606047738 1292253 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3)[N+](=O)[O-] 1 3.494 4 5 0 -15.0777478620524 1292236 CC1=NN=C(S1)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F 1 3.496 3 2 -0.761925622283352 1292201 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 2.692 3 5 0 -10.1246166003985 1292194 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C(C)C 1 3.838 3 4 0 -14.2119488197838 1292193 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=CC(=CC=C3)Cl 1 3.778 3 2 -1.81385261703329 1292169 C1=CC=C(C=C1)CS(=O)(=O)CC(=O)NC2=C(C=C(C=C2)Br)F 1 2.953 1 3 -5.50287602511411 1292163 CC1=C(C=CO1)C(=O)NCC2=CC(=CC=C2)CNC(=O)C3=C(OC=C3)C 1 1.911 2 4 0 -7.37617119868086 1292146 CC1=CC=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5 1 4.184 3 4 0 0.214208694116186 1292142 COC1=CC=CC=C1C(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3OC 1 2.154 2 4 -7.44679757953047 1292138 CC1=CC=C(C=C1)SCC(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC 1 3.895 3 3 -17.0417895842488 1292135 CC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3F 1 3.081 4 2 -18.8120886462674 1292117 CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)Br 1 4.677 2 2 -5.81657671547323 1292111 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC3=C2CCCC3 1 3.582 2 3 -11.3951359247375 1292108 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.71 1 7 0 -15.5509382644419 1292093 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)NC4=O 1 1.486 2 5 0 -24.1991239750797 1292085 CC(C)C1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 2.988 2 3 -10.726281610652 1292076 CC12CC(CN(C1)S(=O)(=O)C3=CC=CC=C3)(CN(C2)S(=O)(=O)C4=CC=CC=C4)C 1 2.531 2 4 -11.1465213152259 1292057 CSC1=CC=CC(=C1)NC(=O)CN(C2CCCCC2)S(=O)(=O)C 1 2.406 2 3 -8.47969601071744 1292046 CC1=C(C=CC(=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4OC)Cl 1 4.934 3 4 0 -3.70716569044333 1292039 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NC4=C(S3)CCCC4 1 4.213 3 2 -12.3570919520093 1292029 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)Cl)N 1 3.361 5 1 -9.36338686020793 1292005 CC1=C(SC(=C1C(=O)OC)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)OC 1 4.149 1 6 0 -16.2036375627754 1291981 C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)Br 1 4.364 3 2 -9.46067149058414 1291964 CCC1=CC=C(C=C1)OCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42 1 5.775 1 2 -3.5918890426572 1291961 C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CS4)Cl 1 5.934 1 1 -5.54359669657163 1291921 COC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-] 1 4.531 4 5 0 -19.1713489316382 1291835 CC1=CC(=C(C=C1)NC=C(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C 1 4.972 1 4 -6.12293015186423 1291833 CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)C3=CC=C(S3)Cl)C 1 4.448 2 1 -6.26588035091054 1291811 CC1=CC(=O)OC2=C1C=C(C=C2)OCC(=O)N(CC3=CC=C(C=C3)F)CC4=CC=CO4 1 4.149 1 5 -11.9860880917187 1291790 C1COCCN1C2=C3C(=C(OC3=NC=N2)C4=CC=CC=C4)C5=CC=CC=C5 1 4.271 3 2 4.52408196200763 1291779 CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1 2.784 1 7 0 -13.1825671211876 1291767 COC1=CC=CC(=C1)C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 3.866 3 3 2.98949178118979 1291751 C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 1 5.135 3 1 -8.54014115563858 1291726 CC1=C(C=NN1C)CN(C)C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl 1 4.104 3 1 2.03536624932135 1291714 CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=C(C=C2)F)C 1 3.564 1 2 -4.28019648147521 1291706 CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)N4C)C 1 2.55 4 4 0 -10.0138513973317 1291680 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CCOCC3)[N+](=O)[O-] 1 2.342 3 5 0 -11.7407827398487 1291628 CC1=C(C2=NC(=C(C(=O)N2N1)CC3=CC=CC=C3)C)C4=CC=CC=C4OC 1 3.225 3 2 -9.62199125990997 1291623 C1=CC=C(C(=C1)/C=C(\C(=O)NC2=CC=CC(=C2)C(=O)O)/NC(=O)C3=CC=CO3)Cl 1 3.26 2 5 0 -13.758858858245 1291616 COC1=CC=CC=C1CC(=O)NC2=CC=C(C=C2)C3=NOC(=N3)COC4=CC=C(C=C4)Br 1 4.531 3 4 0 -4.31317353734872 1291615 C1CCC(CC1)N2C(=NN=N2)SCC(=O)NCC3=CC=CC(=C3)C(=O)O 1 2.355 5 3 0 -33.2536104516076 1291609 COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)NC(=O)/C=C/C3=CC=CC=C3 1 3.1 2 4 -22.3825921030036 1291604 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=CS3 1 3.202 4 3 0 -17.8549313713078 1291590 CC1=NC2=C(C=CC=C2OCC3=NN=C(N3CC=C)SCC(=O)N)C=C1 1 2.183 5 2 0 -19.6668570083929 1291586 COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC3=C(C=C2)OCCO3 1 3.519 2 5 0 -12.862686119508 1291564 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=C(C=CC=C3Cl)F 1 3.438 4 3 0 -13.7586084863483 1291552 COC1=C(C=C(C=C1)Cl)C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 4.531 3 3 1.44673959518391 1291535 CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC(=CS2)C3=CC=CS3 1 4.498 2 2 1.64655536631261 1291492 CN1C=C(C=N1)CN(C)C(=O)C2=C(C3=C(S2)C=CC=C3Cl)Cl 1 3.959 3 1 0.448343439328829 1291491 C1CCC(CC1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CS4 1 4.605 2 2 -13.8890976782459 1291480 CC(=O)NC1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.612 3 4 0 -13.0471577462021 1291479 CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C)Br 1 3.185 2 2 0.276458520468228 1291463 C1CSC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Br 1 4.976 2 1 -13.5058677602315 1291453 CC(C)(C)CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 2.792 4 5 0 -16.762606304641 1291441 CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3C(=O)OC)C 1 3.264 5 3 0 -27.9366967829027 1291421 C1CN(CCN1C2=CC=CC=C2F)C(=O)CS(=O)(=O)CC3=CC=CC=C3 1 2.463 2 3 -4.28328067396629 1291417 C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4)C#N 1 4.12 5 1 -20.1223869020828 1291397 CCN(CC)C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2CCN4CCOCC4 1 3.699 5 1 -10.7676397302714 1291357 CC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)OC)OC 1 3.441 3 3 -18.633095013858 1291335 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NN=C(S3)C(C)C 1 3.689 4 2 -15.1306435240506 1291333 CCC(=O)NC1=C(C=C(C(=C1)OC)NC(=O)C2=CC=CC=C2)OC 1 2.369 2 4 -12.1669600763952 1291325 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C(C)(C)C 1 3.145 4 2 -16.0863619839608 1291318 CC1=CC=CC(=C1)C(=O)NCC2CCN(CC2)C(=O)C3=CC(=CC=C3)C 1 3.623 2 2 -9.49378008323274 1291315 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O 1 1.875 4 4 0 -21.582580886657 1291284 CCOC1=C(C=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)C(=O)N)C)OC(=O)C4=CC=CS4 1 3.754 3 5 0 -19.0374868991494 1291266 CN(CC(=O)NC1=CC=CC=C1SC)S(=O)(=O)C2=CC=C(C=C2)OC 1 2.108 2 4 -15.3614695153871 1291234 C1=CC(=C(C=C1Br)S(=O)(=O)NCCC2=CC=NC=C2)F 1 2.449 2 2 -4.25415184716589 1291216 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4OC 1 3.472 3 3 -11.5350561667841 1291211 CC(C)CN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=CC=NC=C3 1 2.274 5 2 0 -20.5545232464517 1291204 C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)N 1 4.186 4 0 -5.43102007409408 1291199 CC1=CC(=CC(=C1)NC(=O)C2=NC(=CC=C2)C(=O)NC3=CC(=CC(=C3)C)C)C 1 5.05 3 2 -7.96197949436813 1291195 C1CCC2=C(C1)N=C(S2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O 1 2.228 4 2 -10.6718987474967 1291171 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)N4CCN(CC4)CCO 1 1.536 4 3 0 -5.14869385368233 1291165 C1COC2=C(O1)C=CC(=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O 1 1.626 3 4 0 -11.645535286609 1291127 C1COCCN1C2=NC(=NC(=N2)NCC3=CC=C(C=C3)Cl)N4CCOCC4 1 1.552 6 2 0 1.00837155318728 1291084 CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C2=CC=C(C=C2)Cl)Cl)OCC(=O)O 1 4.781 1 4 -14.15188954632 1291068 C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)CC3=CC=C(C=C3)Cl 1 4.315 3 2 -6.72739375453935 1291067 C1CC(CCC1CC2CCC(CC2)NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl 1 4.53 2 2 -7.77197649190696 1291060 CCCC(=O)NC1=NC(=C(S1)CC)C2=CC=CC=C2 1 3.83 2 1 -6.29037216705517 1291048 CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC=CO3)SC4=C2CCC4 1 3.838 3 3 -37.7716360169979 1291022 CCOC(=O)C1=C(N=C(S1)NC(=O)/C=C/C2=C(C=CC=C2Cl)F)C 1 3.727 2 3 -11.7031243560388 1291000 COC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2CCN4CCCCC4 1 4.052 4 1 -3.82732748863218 1290998 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)NC4CCCCC4 1 3.77 3 2 -10.2949040449368 1290990 CC1=C(SC(=N1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)N(C)C 1 2.158 4 4 0 -8.79376894289043 1290953 CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)C 1 3.395 2 4 -15.7087859895216 1290941 CC1=NC2=C(C=CC=C2OCC3=NN=C(N3CC=C)SCC(=O)OC)C=C1 1 3.036 4 3 0 -21.9400887298782 1290930 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35 1 4.797 2 2 -0.935104867910293 1290902 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)F 1 3.818 2 2 -10.5753129545214 1290900 C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.51 4 4 0 -13.3536698390289 1290899 CCN(CC)C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2CCN4CCCCC4 1 4.928 5 0 -8.36903351935929 1290799 CCC(C)(C)NC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC 1 2.354 2 5 0 -13.4667716865935 1290765 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2)C 1 5.285 1 2 2.61943349199333 1290714 C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N 1 2.416 2 4 -5.02869338397706 1290697 COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4 1 5.012 2 3 1.86882382504801 1290688 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 4.141 5 3 0 -5.18000844230335 1290684 C1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CS5 1 5.14 5 1 -6.74307422459307 1290683 C1COCCN1C2=CC=CC=C2NC(=O)CSC3=NN=C(S3)N 1 1.127 5 2 0 -15.4411237497594 1290664 COC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 2.941 2 3 -10.6250402157087 1290573 CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC(=CC(=C3)C)C)C4=CC=NC=C4 1 4.947 5 1 -11.9278797908984 1290567 C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)Cl 1 3.315 5 2 0 -14.2296123775041 1290540 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3C(=NNC3=S)C4=CC=NC=C4 1 3.251 7 0 0 -3.36449532750202 1290529 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-] 1 2.011 4 6 0 -19.4057971921282 1290458 CCCN(CCC)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4 1 4.89 2 3 -7.81174972230649 1290444 CC(C)CC(=O)NC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3 1 3.368 3 2 -11.0562977519979 1290368 CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C 1 3.701 1 7 0 -14.3419310371436 1290366 COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-] 1 3.101 3 6 0 -17.9053060133145 1290363 CC(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)C(C)C 1 4.576 2 2 -3.82366910098583 1290352 CSC1=NC(=NN1S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CO3 1 3.71 3 3 -4.76279368172906e-002 1290337 COC1=CC=C(C=C1)C(=O)NC2=NN(C(=N2)N3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5 1 3.812 5 4 0 -7.32530793296275 1290336 CC1=CC(=CC=C1)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=S)N3C)C 1 4.625 2 2 -2.24474884954481 1290276 CC1=C(SC(=N1)NC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)C(=O)N(C)C 1 3.396 3 2 -5.2069183784516 1290210 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3)Br 1 4.348 3 3 -10.6902585385224 1290207 C1=CC=C(C=C1)C2=C(OC(=N2)NC(=O)CSC3=NC4=CC=CC=C4N3)C5=CC=CC=C5 1 5.261 4 2 -1.11274210053008 1290197 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)NC4=CN=CC=C4 1 4.345 3 1 -2.94971083152469 1290193 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.542 2 3 -6.54929473747174 1290165 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NCCC3=CCCCC3 1 4.309 1 3 -10.558755096658 1290156 C1=CC=C2C(=C1)C=C(O2)C3=[N+](C4=CC=CC=C4N(C3=O)OCC5=CC=CC=N5)[O-] 1 2.873 3 4 0 -2.44291377252824 1290100 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 4.273 3 3 -8.15147473112511 1290134 CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCCN(CC2)C(=O)COC3=C(C=C(C=C3)Cl)C 1 4.159 2 4 -1.69973632676229 1290133 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)C)C 1 4.545 2 3 -8.53360186796203 1290119 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)COC3=CC=CC=C3 1 2.735 4 4 0 -16.8816298695838 1290045 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3OC 1 4.149 1 4 -10.8943730589782 1290053 CC1=CC(=C(C=C1C(=O)C)F)N2CCN(CC2)C(=O)CC3=CC=CC=C3 1 3.339 2 2 -9.15439760607452 1290076 C1CC2=C(C=C(C(=O)N2C3=CC=CC=C3)C(=O)NCC(=O)C4=CC=CC=C4)C(=O)C1 1 2.449 2 4 -20.7229214756195 1288674 COC1=CC=C(C=C1)NC2=C(N=C(O2)COC3=CC=C(C=C3)Cl)C#N 1 4.117 3 3 -2.63223509618348 1288666 CCOC1=CC(=C(C=C1C)C)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 3.397 1 5 -4.5899452024421 1288623 CCOC(=O)CON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=C(C=C3)Cl)[O-] 1 2.35 2 5 0 -10.1053342308856 1288612 COC1=CC=CC=C1OC2=C(C=C(C=C2)C3=NC4=CC=CC=C4N=C3)[N+](=O)[O-] 1 4.679 3 4 0 2.69069863213654 1288597 CC1=NC(=CS1)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4 1 2.896 5 1 -15.8119847005225 1288593 C1COCCN1C(=O)C2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5 1 3.135 3 4 0 0.516718631424273 1288587 C1COCCN1C2=NC(=NC(=N2)C(=O)O)N3CCOCC3 1 -0.822 5 4 0 -3.52388491345752 1288557 C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)Cl)OCC4=CC=CC=N4 1 2.942 3 3 -4.61118122039455 1288554 CC(C)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.754 2 3 -9.27029516044719 1288545 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NCC2=CC=NC=C2)Cl 1 1.162 3 4 0 -4.24643635974335 1288539 COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.641 2 5 0 -22.0617820248271 1288538 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)N2CCCCCC2)Cl 1 2.308 2 4 -13.0411570293285 1288518 C1COCCN1C(=O)C2=CN(N=C2C3=CC=C(S3)Cl)C4=CC=CC=C4 1 3.517 3 2 3.92616482469265 1288515 C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=C(O3)Br 1 4.599 2 2 -1.4372584107997 1288502 CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3)C 1 5.729 3 1 -4.61158374922377 1288496 C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4 1 4.291 3 2 4.73204989009135 1288492 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3(CCOCC3)C4=CC=CC=C4 1 1.849 3 3 0 -21.0515832197136 1288488 CC1=CC(=C(C(=C1Cl)C)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)OC 1 3.713 1 5 0.285937158295473 1288468 CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)OC)C 1 5.46 3 3 -15.8272161567979 1288465 CC1=CC(=CC=C1)N(CC(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C 1 1.983 3 3 0 -13.3225204751296 1288456 CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3)[N+](=O)[O-] 1 5.016 3 3 -4.90437848272674 1288455 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br 1 4.771 3 4 0 -17.5156484137846 1288450 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C 1 3.3 3 4 0 -14.3197435616662 1288441 C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O 1 1.212 2 6 0 -16.8850374867975 1288430 COC1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O 1 1.395 2 6 0 -17.0448792822037 1288392 C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O 1 2.49 2 7 0 -12.1739295476788 1288390 C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)Br)OCC4=CC=CC=N4 1 3.026 3 3 -6.06784096549599 1288384 COC1=CC=C(C=C1)C2=NN(C(=N2)SCC3=CC=CC=C3)S(=O)(=O)C 1 3.641 3 3 -6.07056522812402 1288351 COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC(=CC=C2)Cl)OC 1 4.853 2 4 -10.9185725122955 1288294 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NCC2=CC=C(C=C2)OC)Cl 1 2.296 2 5 0 -4.06435516947642 1288280 CC1=CC=C(C=C1)C(=O)NCC2(CCCC2)C3=CC=CC=C3 1 4.562 1 1 -15.6680979027963 1288270 C1CN(CCN1C2=CC=CC=C2NC(=O)C3=CC=C(O3)Br)C(=O)C4=CC=CC=C4 1 3.621 3 3 -7.74850029863925 1288267 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)OCC(=O)C3=CC=C(C=C3)Br 1 4.496 2 5 0 -10.9635554278958 1288231 C1COCCN1C(=O)C2=CN(N=C2C3=CC(=CC=C3)Br)C4=CC=CC=C4 1 3.853 3 2 4.2212462938692 1288225 CC1(CC2=C(C=C(C(=O)N2C3=CC=C(C=C3)Cl)C(=O)NCC4=CC=CO4)C(=O)C1)C 1 3.081 2 4 -21.0788512900217 1288192 CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=CO3)C(C)(C)C 1 4.763 2 3 -0.861546485473117 1288186 C=CCN1C(=O)C2=C(N=C1SCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CO5 1 4.905 2 4 -18.8461566274939 1288185 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4 1 2.614 3 4 0 -19.6217233192552 1288179 CC(=O)NC1=CC(=CC=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3CCCCCC3 1 3.804 4 2 -4.67401574735463 1288173 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NCC3=CC4=C(C=C3)OCO4 1 2.369 3 3 -4.71275402480651 1288168 C1=CC=C(C=C1)OC2=CC=CC=C2NC(=S)NC3=CC(=CC=C3)Cl 1 6.591 2 1 -2.4011373813355 1288162 CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(F)(F)F)C 1 5.68 2 1 -6.33217402990143 1288156 C1COCCN1C2=NC3=CC=CC=C3C(=N2)NC4C5CC6CC(C5)CC4C6 1 3.271 4 1 4.11580923076308 1288116 C1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CO3)SCC4=CC=CC=C4 1 4.961 3 2 -5.31637277493448 1288104 CCS(=O)(=O)N1C(=NC(=N1)C2=CC=CC=C2)SCC3=CC=CC=C3 1 4.006 3 2 -7.30368860379799 1288098 C1=CC=C(C=C1)CNCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4 1 5.33 3 0 18.2473170470429 1288086 C1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)NCCC4=CC=C(C=C4)S(=O)(=O)N)C5=CC=C(C=C5)F 1 4.535 5 2 0 0.376633501546134 1288057 CC1=CC=C(O1)C2=NN(C=C2CN(CC3=CC=CC=C3)C(=O)C4=CC=CO4)C5=CC=CC=C5 1 5.52 3 3 8.78736973616722 1288056 CC1=CC=C(C=C1)N(C)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl 1 5.93 1 3 -2.56627596481794 1288047 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)Cl 1 4.44 2 3 -8.36394534097067 1288043 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)CSCC3=CC=CC=C3 1 3.075 4 3 0 -19.4029459591918 1288018 COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C 1 2.516 3 4 0 -14.3222019554968 1288017 CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-] 1 5.324 4 4 0 -13.7954255865958 1288013 C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O 1 2.661 1 6 0 -8.43848288179065 1288012 CC1=CC(=C(C=C1)C)OCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)COC3=C(C=CC(=C3)C)C 1 4.644 2 6 0 -8.71938198602614 1288007 CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)Br)C2CCCCC2 1 2.613 2 3 -10.2168369144668 1288004 CC1=CC(=C(C(=C1Cl)C)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C)OC 1 3.101 2 3 -7.12236148712156 1288003 COC1=C(C=C2C(=C1)CCN3C2=C(CCC3=NS(=O)(=O)C4=CC(=CC=C4)Cl)C#N)OC 1 3.611 3 4 0 -8.23808231616382 1287984 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCOCC2 1 1.525 2 4 0 -16.5342597984581 1287979 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC(=C4)C(=O)O 1 4.312 4 5 0 1.70961140384925 1287969 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)OCC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-] 1 3.954 2 5 0 -10.7694931995726 1287957 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2OC)Cl)OC)C 1 3.921 1 4 -6.92842315894853 1287918 C1CN(CCN1C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4O3)C(=O)C5=CC=CC=C5 1 4.253 3 3 -2.28725167565338 1287917 C1=CC=C(C(=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=CO4)[O-])F 1 2.814 2 4 -4.80855130365556 1287907 CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=CS3)C(C)(C)C 1 5.322 2 2 -3.47018159316427 1287903 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)OCC(=O)C3=CC=C(C=C3)F 1 3.954 2 5 0 -10.6170173479159 1287877 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C(=O)NC5=CC=CC=C5Br 1 6.131 3 2 8.40654764782766 1287871 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4 1 3.841 4 3 0 0.72752550513333 1287856 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCC(CC2)C(=O)N 1 1.312 3 4 0 -14.8573818323161 1287855 CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CSCC3=CC=C(C=C3)Cl 1 4.088 4 3 0 -17.9793396113548 1287844 COC1=CC=CC(=C1OC)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 2.404 1 7 0 -14.6166536319833 1287840 COC1=C(C=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=N4)[O-])OC 1 2.245 3 5 0 -10.5253201968894 1287838 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC(=C4)C(=O)O 1 4.623 3 3 4.51588621667174 1287825 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C(=CS4)C5=CC=C(C=C5)Cl 1 4.787 3 3 -12.8184107735397 1287821 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3)C 1 2.851 2 4 -16.0867718906387 1287804 CCN(CC)C(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4 1 3.9 3 3 -0.349500731217569 1287796 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C(=O)NC4=CC=C(C=C4)F 1 3.842 4 1 5.86180943915566 1287776 C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=[N+](C4=CC=CC=C4N(C3=O)OCC5=CC=CC=N5)[O-] 1 3.838 3 4 0 -4.79228666677808 1287771 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)Br)C(=O)NC4=CC=CC(=C4)C(=O)O 1 5.166 3 3 4.77784246717356 1287763 CC1=CC(=NC(=N1)NC2=N[C@@H]3CCCC[C@H]3N2C(=O)NC4=CC(=C(C=C4)Cl)Cl)C 1 4.655 6 1 0 -3.60790261649137 1287754 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4 1 3.377 4 2 1.43524988289373 1287749 COC1=CC=CC(=C1)C(=O)COC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.732 2 6 0 -12.6144718888797 1287742 CC1=C(C=CC=C1Cl)NC(=O)CN(C2CCCCC2)S(=O)(=O)C 1 3.015 2 3 -9.3262368448186 1287724 CC1(CC2=C(C=C(C(=O)N2C3=CC=C(C=C3)OC)C(=O)NCC(=O)C4=CC=CC=C4)C(=O)C1)C 1 2.891 2 5 0 -22.4397305580749 1287693 CC(C)(C)C1=CC=C(C=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=CO4)[O-] 1 4.009 2 4 -1.67751899252333 1287692 COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC(=O)O)C3=CC=CC=C3 1 2.676 3 4 0 0.638023280077717 1287683 COC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.684 2 5 0 -10.9843548193877 1287668 C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)O 1 3.55 2 3 -6.94019892748142 1287648 CCOC(=O)CON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=C(C=C3)F)[O-] 1 1.891 2 5 0 -11.2154558960072 1287647 C1CN(CCC1C(=O)N)C(=S)C2=CC=C(O2)C3=CC=C(C=C3)Br 1 4.095 2 2 1.09953882005907 1287636 CC1=C(C=CC(=C1)OCC(=O)NCCN2CCOCC2)Br 1 1.934 2 3 0 -10.5003725619568 1287633 C1CN(CCN1CC2=CC=CC=C2)C(=O)CN(C3=CC4=C(C=C3)OCCO4)S(=O)(=O)C5=CC=CC=C5 1 3.115 3 5 0 -13.4831239624261 1287632 CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3)C 1 4.588 3 2 -7.56350535412084 1287629 CC1=CC=CC=C1NS(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)N)C)Cl 1 2.791 2 4 -4.44708162747293 1287591 C1CC2=C(C=C(C(=O)N2C3=CC=CC=C3)C(=O)NC4=NC=C(C=C4)Br)C(=O)C1 1 2.907 3 3 -18.1466718067566 1287582 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)Cl)C(=O)NC4=CC=C(C=C4)C(=O)O 1 5.082 3 3 7.07576418577855 1287570 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3C(=O)NCC4=CC=CO4 1 5.231 2 4 -14.8465023363249 1287557 COC1=C(C=CC(=C1)CNN2C(=NN=N2)N)OCC3=C(C=CC=C3Cl)Cl 1 2.906 6 2 0 -10.6669376228292 1287502 COC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)O)Br)OCC3=CC=CC=C3 1 5.279 1 3 -1.42798583799932 1287458 C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(N=C(O3)COC4=CC=CC=C4)C#N 1 4.375 4 2 0.76174290043669 1287455 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.988 2 3 -3.83244554876261 1287424 CC(C)OC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4 1 4.37 2 4 0.304210679837947 1287415 CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=NC=CS3)C4=CC=CC=C4 1 4.96 4 2 0.254196024796114 1287395 CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 5.126 4 1 1.10313211184699 1287392 CC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C 1 0.874 3 6 0 -30.1351607764443 1287365 CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3 1 4.935 3 1 2.95088698146578e-003 1287334 COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(O2)COC3=CC=CC=C3 1 3.51 1 5 -12.0776868762452 1287328 C1CCC(CC1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CN=CC=C5 1 3.631 6 1 0 -13.7102529290321 1287327 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)OC)CNC(=O)NC4CCCCC4 1 3.669 4 3 0 -14.0027447003582 1287324 CCCC(=O)NCC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)OC 1 2.938 3 3 -19.5770216998608 1287305 CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)NC2=CC(=C(C=C2)O)C(=O)O)C 1 4.078 1 5 1.21837255057783 1287301 CN(C)C1=CC=C(C=C1)C(=S)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)Cl 1 6.179 4 0 -10.5655587150659 1287296 C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.57 3 3 -12.4952261722197 1287250 CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=NC(=C(C=C2)Br)C 1 4.491 3 2 -5.89212323260974 1287210 CCOC(=O)C1=C(C2=CC=CC=C2S1)OC(=O)C3=CC=CC=C3OC 1 4.603 0 5 -4.23455652518573 1287206 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)CN4CCOCC4 1 2.011 4 3 0 -15.5520215862965 1287202 COC1=C(C=CC(=C1)NC(=O)CC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3 1 3.452 2 3 -12.7832281051555 1287135 COC1=C(C(=C(C(=C1)C(=O)NC2CCCC2)Br)OC)OC 1 3.139 1 4 -8.12374923403933 1287136 C1=CC(=CC=C1CC2=CC=NC=C2)NCCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.861 3 3 -4.3691899818444 1287138 CC(C)C1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3CCCCC3 1 5.055 2 2 -4.52422396387272 1287145 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4 1 2.16 3 6 0 -24.8103671256595 1287162 CCC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 5.676 2 4 -5.88460689618621 1287132 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)OC 1 4.72 0 6 -14.184158926913 1287125 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CCC(=O)N3CCCC3 1 2.097 3 4 0 -16.4818510638773 1287122 COC(=O)C1=CC=C(C=C1)COC(=O)CNS(=O)(=O)C2=CC=CC=C2 1 1.887 1 6 0 -12.3528715484578 1287120 CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(O2)Br 1 3.029 2 3 -7.3368604443425 1287111 C1=CC=C(C(=C1)C(=O)NC2=CC=CC=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.682 4 4 0 -11.4449186246673 1286959 CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)CN(CC)CC)O 1 4.98 3 3 4.59496326361283 1286957 CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)CN5CCCCC5)O 1 4.686 3 3 4.29410734564089 1286861 COC1=C(C=C(C=C1)Br)C=NNC(=O)C2=CC(=C(C=C2)OC)OC 1 3.382 2 4 -6.63897785149717 1286771 CN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)Br)CC3=CC=CC=C3Cl 1 3.75 4 2 -16.6821142041819 1286643 C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Br)C(=O)O 1 3.227 3 4 0 -11.8399493427256 1286615 CC1(CC2=C(C(=O)C1)C3(CCCC3)N=C(N2)NC4=NC5=CC=CC=C5O4)C 1 3.311 4 2 -8.76167870401829 1286674 C1=CC=C(C=C1)COC(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 4.493 2 3 -1.48744088141987 1286653 CC1=NN=C(S1)SCC(=O)NC2=CC=CC=C2N3CCOCC3 1 1.592 4 2 0 -19.0463889660916 1286522 CC1=CC(=NC(=N1)NC2=N[C@@H]3CCCC[C@H]3N2C(=O)NC4=CC=CC=C4)C 1 3.326 6 1 0 -5.2448075438565 1286501 CN(C1CCCCC1)C(=S)SCC(=O)N2CCC(CC2)C(=O)N 1 2.803 3 2 -11.0615182423141 1286500 C1CN(CCN1C2=CC=CC=C2)C(=S)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N 1 4.629 7 0 0 -3.01386867865434 1286493 C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=NN3C4=CC=CC=C4 1 2.724 5 1 -25.0732721948351 1286476 CC1=C(C=CC=C1Cl)NC2=NC(=NC(=N2)N)CN3CCC4=CC=CC=C4C3 1 3.924 6 0 -1.86666791628727 1286218 C1CCN(C1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.087 3 5 0 -15.3013502452135 1286190 CCCN1N=C(N=N1)NC(=O)C2=CC(=CC=C2)OCC(C)C 1 3.238 5 2 0 -13.0785434157907 1286189 CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(O2)Br 1 3.485 2 3 -12.75915457899 1286185 C1CN(CCC1C(=O)NCC2=CC=CO2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.583 3 5 0 -13.7621789315892 1286149 COC1=CC=CC=C1NC(=O)CCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.072 1 3 -5.98844728637811 1286106 C1=CC=C(C=C1)CC2=NN(C(=O)N2N)CC(=O)NN 1 -1.016 6 2 0 -10.5723075805803 1285995 CCN=C1N(C(=O)CS1)C2=CC=C(C=C2)OC 1 2.42 2 2 -6.90563488513189 1285962 COC1=CC=C(C=C1)NC(=O)C2=C(N=C(S2)SCC3=CC=CC=C3)N 1 3.804 3 2 -9.63147866693534 1285929 C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)NN(C3=O)C4=CC=C(C=C4)Cl 1 3.751 2 5 0 2.9622200360378 1285735 CC1=C(C(=C(N1C2=NC(=C(S2)C)C3=CC(=C(C=C3)OC)OC)C)C(=O)C)C(=O)C 1 3.533 2 4 -5.40834914017848 1285736 CC1=C(C(=C(N1C2=NC(=C(S2)C)C3=CC=C(C=C3)OC)C)C(=O)C)C(=O)C 1 3.55 2 3 -1.78041141653048 1285767 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)C4=CC=C(O4)Br 1 2.948 5 2 0 -11.6663297319322 1285742 CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC=C(C=C3)OC)OC(=O)C4=CC=C(C=C4)OC 1 4.316 0 6 0.982819957623959 1285667 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 2.522 3 4 0 -20.9243984957364 1285646 CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CS3 1 4.228 4 2 -13.6491359647879 1285460 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)Cl 1 1.869 2 6 0 -23.3025275980747 1285428 C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)COC3=CC=CC=C3Cl 1 5.338 1 3 -3.65403797661903 1285419 C1COCCN1C(=S)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3C(F)(F)F 1 3.917 2 3 -11.2869804275542 1285343 CC1=C(C(=CC=C1)C)OCC(=O)NC2=NC(=C(S2)C(=O)OC)C 1 2.848 2 4 -12.2538805700252 1285323 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)N 1 2.061 3 2 -7.57207373131975 1285300 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 0.985 5 5 0 -15.6347246027773 1285279 CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC=CO5 1 4.878 0 7 0 -3.80271706324271 1285237 CC1=CC(=C2C(=C1)OC=C2CC(=O)NC3=NC=C(C=C3)Cl)C 1 3.978 2 2 -3.57017712118949 1285221 COC1=CC(=C(C=C1)OC)NC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3 1 3.828 1 4 -6.04634266531992 1285220 CC1=CC(=C2C(=C1)OC=C2CC(=O)NC3=C(C=CC(=C3)OC)OC)C 1 3.892 1 4 -7.94836823250993 1285219 CC1=CC(=C2C(=C1)OC=C2CC(=O)NCCC3=CC=CC=C3)C 1 4.253 1 2 -9.3895816483377 1285215 CC1=CC(=C2C(=C1)OC=C2CC(=O)NC(C)C)C 1 3.075 1 2 -12.2175766922889 1285138 C1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)NC3=NC=CS3 1 1.681 4 3 0 -19.6717995109643 1285137 COC1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.126 4 3 0 -15.8769426250744 1285094 C1=CC(=CC=C1SC2=C(C=C(O2)C=NN3C=NN=C3)Br)Cl 1 4.096 4 1 5.71106799728274 1285074 CCC1=CC2=C(S1)SC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 4.29 2 1 -1.71485619985153 1285031 C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=C(S3)SCC4=CC=C(C=C4)Cl 1 5.201 2 3 -10.0489345143154 1284999 C1COCCN1C(=O)/C(=C\C2=CC=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-])/C#N 1 2.081 4 5 0 -15.1800259086664 1284984 C1COCCN1P(=O)(C(=NO)SC2=CC=CC=C2)N3CCOCC3 1 0.99 3 4 0 0.388044478598451 1284982 C1C(=O)N(C(=N)S1)N=CC2=CC=CC=C2 1 1.951 3 1 0 -6.73946882890743 1284913 C1COCCN1C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Br 1 1.773 2 4 0 -10.5654510954327 1284909 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl 1 3.913 3 2 -9.16308651263467 1284862 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)C3=CC(=CC=C3)F 1 0.89 3 5 0 -19.9729643615124 1284856 C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CS3)C(=O)C4=CC=CC=C4 1 4.763 4 2 -11.2959384322529 1284811 C1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=NNC(=O)C4=CC=NC=C4 1 3.664 4 2 -6.78415600986399 1284790 C1CCN(C1)C(=S)C2=CN(C3=CC=CC=C32)CCOC4=CC=CC5=CC=CC=C54 1 6.168 2 1 -7.45827949900349 1284704 C1=CC=C(C=C1)CCN2C3=C(C=C(C2=N)C(=O)NCC4=CC=CO4)C(=O)N5C=CC=CC5=N3 1 1.924 5 3 0 -23.6068203661515 1284591 C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)C4=CC=C(C=C4)F 1 2.704 4 2 -5.79990749785922 1284554 C1CCN(CC1)CCC2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl 1 3.185 4 1 -8.99363650310462 1284508 CC1(CC2=C(C=C(C(=O)N2C3=CC=CC=C3)C(=O)NCC4=CC=CO4)C(=O)C1)C 1 2.417 2 4 -23.2595474022755 1284372 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN3C(=O)C4=CC=CC=C4C3=O 1 2.48 3 4 0 -9.96110312163067 1284337 CN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Br 1 3.085 5 2 0 -6.61358638864093 1284329 C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4F 1 3.502 4 2 -11.4816798757002 1284327 C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=CC4=CC=CC=C43)NC(=O)C5=CC=CO5 1 4.054 4 3 0 -6.81809027430009 1284323 CCN(CC)C(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC=CO3 1 2.472 4 3 0 -10.9526425753374 1284314 C1COCCN1C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CO4 1 1.462 4 4 0 -10.8458613334961 1284303 CC1=CC=CC=C1NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CO4 1 3.631 4 3 0 -8.40643529518609 1284228 COC1=C(C=C(C=C1)C=NNC(=O)CCN2C=NC(=C2C3=CC=CC=C3)C4=CC=CC=C4)OC 1 4.6 4 3 0 -10.7440824997526 1284208 CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)C(=O)C5=CC=CO5)C#N 1 4.386 5 2 0 -9.79285784519278 1284204 CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)C(=O)C5=CC=CO5)C#N 1 4.591 5 2 0 -9.42835044020326 1284169 CC1=CC(=CC=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC(=C3)C 1 2.522 4 2 -2.48016487729484 1284155 COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5)OC 1 3.272 5 4 0 -28.4924415326415 1284153 C1CCCN(CC1)C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4 1 3.02 5 2 0 -22.0975576196262 1284094 CC1=CC=CC=C1N2C(=CC(=C2C)/C=C\3/C(=C(NC3=O)C)C(=O)OC)C 1 3.137 2 3 -12.0750397850462 1284026 CC1=CC=C(C=C1)CN(CC(=O)NCC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.308 2 4 -17.0435359632015 1283899 CCCN1C2=CC=CC=C2C(=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=C(C=C5)C)S3)C1=O 1 4.303 4 3 0 -11.1149327923288 1283831 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.332 3 4 0 -9.44715545183147 1283751 COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CO4)OC 1 3.724 2 5 0 -24.9334871330458 1283635 CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC=C(O4)Br 1 4.514 2 3 7.53303606705762 1283516 C1=C(C=NC2=C(C(=O)NN21)Br)N3C=C(C=N3)[N+](=O)[O-] 1 -0.46 6 3 0 -4.40562328218138 1283502 CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3CCOCC3)C)CSC4=CC=CC=C4 1 4.256 2 4 -0.726635051127135 1283486 CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CS(=O)(=O)C3=CC=CC=C3 1 4.301 2 5 0 -4.91004320366674 1283372 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC=C3C(=O)CC(CC3=O)(C)C 1 3.532 1 4 -11.403028376276 1283375 CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=O)CC(CC3=O)(C)C 1 3.397 1 4 -20.4366693940719 1283422 CC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N3C4=C(CCCC4)C5=CC=CC=C53 1 5.881 3 2 -4.3952592625252 1283412 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NC(=CC(=O)N4)O 1 3.913 3 3 -14.0960160520648 1283398 CC1=CC=C(C=C1)C2=C3C(=C(SC3=NC4=C2CCC4)C(=O)NC5=CC=C(C=C5)NC(=O)C)N 1 4.258 4 2 -7.48625027501542 1283156 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4 1 2.839 4 3 0 -8.67883024263316 1283104 C1COCCN1C2=NN3C(=NN=C3C4=C(C=CC=C4Cl)Cl)C=C2 1 2.876 5 1 -3.99075286354231 1283095 CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NC4=C(C=CC(=C4)OC)OC 1 2.72 5 2 0 4.29931519781132 1283092 COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=NC(=N3)OC)NC4=CC=C(C=C4)F 1 3.765 6 2 0 1.79613280943377 1282759 C1CCN(CC1)C(=O)CN2C(=O)N(C(=O)N2CC(=O)N3CCCCC3)C4=CC=CC=C4 1 1.505 5 4 0 -9.06981650796783 1282685 C1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C4=C(S3)C(=O)C=C(N4)O 1 4.743 2 2 0.606024035577429 1282636 CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)OC3(CCCCC3)OC2=O 1 2.823 1 6 0 -9.85609064693264 1282601 CC1=CC(=NC2=C1C(=C(S2)NC(=O)OC(C)C)N3C=CC=C3)C 1 3.999 3 2 -6.41933110238331 1282476 CC(=NNC(=O)C1=CC=CO1)C2=CN=CC=C2 1 0.908 3 2 0 -8.00893580910439 1282404 C1CN(CCC1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)CC3=CC=CC=C3 1 2.43 3 4 0 -8.18306482175268 1282401 C1CN(CCC1C(=O)NCCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F 1 3.034 2 2 -9.87448562470252 1282354 COC1=CC(=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCCCC4)OC 1 3.787 4 2 2.93991822408921 1282353 CCC1=NN2C(=O)C=C(N=C2S1)N3CCN(CC3)C4=CC(=NC5=CC=CC=C54)C 1 4.013 6 1 0 -3.38820997897896 1282288 C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC4=C(C=C3)SN=N4 1 3.604 4 1 -8.24107191940259 1282251 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4)F 1 4.467 4 2 -2.09738956568777 1282232 CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)C)C=NN4C=NN=C4 1 4.443 5 1 2.92354386059298 1282221 C1C(CS1)OC2=CC=CC(=C2)C=NNC(=O)CSC3=NC=CC=N3 1 2.263 4 2 -10.7309985155032 1282177 CC1=C(C(=NO1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)C4=CC=CC=C4Cl 1 4.289 3 2 -0.921950979140511 1282089 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CSC3=NN=C(O3)C4=CN=CC=C4 1 2.338 3 4 0 -14.8252913971422 1282086 C1=CC=C2C=C(C=CC2=C1)C3=NC4=C(O3)C=CC(=C4)NC(=O)C5=CC=CS5 1 4.927 2 2 8.27413117707188 1281976 C1=COC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)Br 1 4.381 3 2 -2.28905847968998 1281902 CC1=CC=C(C=C1)SC2=C(C=C(O2)C=NN3C=NN=C3)Br 1 3.917 4 1 3.88906930669592 1281888 CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CC=CN2C3=CC=CC(=C3)C(F)(F)F)C 1 4.494 5 1 -5.85876906255468 1281884 CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CC=CN2C3=CC=C(C=C3)O)C 1 3.31 5 2 0 -7.85818513406941 1281828 CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)COC3=CC=CC4=C3N=CC=C4 1 3.872 4 2 -11.0299321439772 1281755 CC(=O)NC1=C(C2=C(S1)CCCC2)CN3CCN(CC3)C 1 2.151 3 1 -5.52671839530903 1281750 C1COCCN1C2=NN=NN2C3=CC=CC=C3 1 0.488 5 1 0 -7.81051058803287 1281733 C1=CC=NC(=C1)CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 1.575 3 2 0 -9.2580378899478 1281732 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5 1 2.442 3 4 0 -13.4710302440009 1281731 C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.674 3 2 -12.5628620292004 1281724 C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)NC3=NSC(=N3)C4=CC=C(C=C4)Cl 1 5.172 4 1 0.823075896570294 1281685 C1CN(CCN1CCC(=O)NC2=CC(=CC=C2)Br)CC3=CC=CC=C3 1 3.493 3 1 0.352329177634212 1281683 CN1C(=NN=N1)SCSC2=NN=NN2C 1 0.248 8 0 0 -11.5986205864013 1281682 CC1=C(C(=CC=C1)C)NC(=O)CSCC2=NC(=CC=C2)CSCC(=O)NC3=C(C=CC=C3C)C 1 5.424 3 2 -10.8343894680381 1281679 CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCCC4=CC=CC=C43 1 4.702 2 2 -14.1110423472471 1281559 CC(C)(C)C1=NN2C=NN=C2N(C1=O)N=CC3=CC=CC4=CC=CC=C43 1 3.299 6 1 0 -2.91654413296409 1281509 C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)C(=O)NCC5=CC=CO5 1 2.89 3 5 0 -25.8656099047712 1281416 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCSC3=NN=C4N3C(=CS4)C5=CC=CC=C5 1 4.026 4 3 0 -16.385306932385 1281415 COC1=CC=CC(=C1)NC(=O)CCSC2=NN=C3N2C(=CS3)C4=CC=CC=C4 1 4.234 4 2 -9.66113171989097 1281408 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CCSC3=NN=C4N3C=CC=C4 1 4.568 4 3 0 -16.1379266494702 1281403 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4C=C3 1 3.508 2 3 -11.3635378590277 1281397 C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCOCC3)SC=C2C4=CC=CO4 1 2.506 3 4 0 -23.7352899302921 1281395 CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N)CC=C 1 2.552 3 3 -18.906211623098 1281370 CC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3 1 3.751 4 1 -8.87922704215109 1281364 COC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)NC3=CN=CC=C3 1 2.71 2 4 -3.45937785325393 1281358 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4 1 2.783 2 5 0 -16.1083438402259 1281357 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC(=CC=C3)Cl 1 1.887 2 4 0 -15.7211478584935 1281356 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl 1 2.552 2 4 -12.6448326959599 1281355 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 2.165 2 4 -13.854780179583 1281354 CC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.269 2 5 0 -15.6133220411569 1281350 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.502 2 3 -7.35735912635682 1281347 COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.765 2 3 -9.93055508679239 1281344 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC(=C4)F 1 2.461 2 4 -10.9114821181171 1281338 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.518 2 2 -7.30309033887969 1281288 CC(=O)NC1=NC(=NN1)SCC2=CC=CC3=CC=CC=C32 1 2.806 4 1 -6.08059187435065 1281124 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC(=C(C=C2)Cl)C(F)(F)F 1 4.098 1 4 -10.3499765678128 1281119 COC1=CC(=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCCC4)OC 1 3.331 4 2 3.29438673825729 1281095 C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5 1 4.737 3 2 -25.7598285122875 1281078 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5 1 5.186 3 2 -24.093196679891 1281026 CC1=CN=C(S1)NC(=O)CSC2=NN=C(O2)CC3=CC=C(C=C3)OC 1 2.01 4 3 0 -19.0582412923025 1280881 CC1=C(C2=C(N1CC3=CC4=C(C=C3)OCO4)C=CC(=C2)O)C(=O)OC 1 3.439 1 5 -4.34127319055398 1280861 COC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=CC(=C3)C#N 1 3.658 3 2 -8.34853084507629 1280851 CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=C(C=C3)OC 1 6.18 2 3 -17.9104559663392 1280585 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C 1 3.282 2 5 0 -15.1530268848277 1280564 CC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5 1 3.97 3 5 0 -8.50995499565796 1280563 C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)OC(=O)C4=CC=C(O4)Br 1 4.636 2 3 0.461084466966632 1280475 COC1=CC=C(C=C1)C(=O)NC(=O)NC2(OCCO2)C(Cl)(Cl)Cl 1 2.892 2 5 0 -7.86036451202718 1280473 CCOC(=O)CC1=CSC(=N1)NC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F 1 3.988 3 5 0 -8.4576013608552 1280448 CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC=C(C=C4)Br)CC(=O)O 1 5.027 0 5 -1.76856270716688 1280447 CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC=C(C=C4)F)CC(=O)O 1 4.484 0 5 -1.42202462718701 1280384 CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)CN5CCCCC5)O 1 5.199 3 3 6.30150092591319 1280376 C1CN(CCN1CC2=NC(=NO2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 4.639 4 1 0.335584233483545 1280312 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=CC=CC=C4C=C3 1 3.17 3 1 1.18383009031551 1280299 C1=CC=C2C(=C1)C=CC=C2C(=O)NN=CC3=CC=C(C=C3)OCC(=O)O 1 3.056 2 4 -7.81215367638895 1280296 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(C=C2)OCC(=O)O)Br 1 2.896 2 4 -9.3363117785636 1280293 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3O 1 3.902 1 2 -6.45397608606326 1280196 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=S)NC(=O)C4=CC=CO4 1 4.143 4 3 0 -2.68497578671419 1280177 CC1=C(C=C(C=C1)Cl)N(CC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)OC)OC)S(=O)(=O)C4=CC=CC=C4 1 6.009 2 5 0 -13.040634909638 1280173 C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=C(O3)Br 1 3.316 2 3 -7.21072587401472 1279987 C1CN(CCN1C2=CC=CC=C2)C(=O)/C(=C/C3=CC=C(S3)Cl)/C#N 1 3.592 3 1 -3.68219423391499 1279973 CC1=NC(=C(C(=C1)COC)C#N)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C 1 1.914 6 3 0 -16.3414067630254 1279951 C1=CC=C(C(=C1)C=NN2C(=NN=N2)N)OCC3=C(C=C(C=C3)Cl)Cl 1 3.476 6 1 0 -0.204521938651492 1279932 CC1=CC(=O)N(N1)C2=CC=C(C=C2)O 1 0.77 2 2 0 -7.75849021851722e-002 1279895 C1=CN(C=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4 1 3.139 3 1 -3.95260214674836 1279885 CC1=CC2=C(C=C1C)N(C=N2)C3=C4C5=C(CCC5)SC4=NC=N3 1 4.848 4 0 -6.80022809330301 1279881 C1=CC2=NC3=C(C=C(C(=NC(=O)C4=CC=CO4)N3CC5=CC=CO5)C#N)C(=O)N2C=C1 1 1.739 5 4 0 -19.5597916000644 1279864 CC1=C(C(=NO1)C)CSC2=NN=C3N2C(=CS3)C4=CC=C(C=C4)Cl 1 4.496 4 1 -9.91407525065214 1279860 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F 1 2.765 2 3 -11.6204303944689 1279853 C1=COC(=C1)CNC(=O)CSC2=NN=C3N2C(=CS3)C4=CC=C(C=C4)Cl 1 3.855 4 2 -14.5939156898564 1279850 COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.207 2 5 0 -17.316759469152 1279835 COC1=CC(=CC(=C1)C(=O)OC2=C3C(=C(C=C2CN4CCOCC4)Cl)C=CC=N3)OC 1 3.841 2 5 0 -5.63141013912087 1279828 CCOC(=S)SCC1=CN2C=CC=C(C2=N1)C 1 3.495 2 1 -5.76854823757409 1279768 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.385 4 5 0 -10.9623247016197 1279756 C1CN(CCN1CCO)CC2=C(C(=O)C=C(O2)CO)O 1 -1.389 2 5 0 1.6915833944088 1279742 C1CN(CCC1CC2=CC=CC=C2)CC3=C(C(=O)C=C(O3)CO)O 1 1.85 1 4 0 4.30971425146511 1279727 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC=CC=C4)CCO 1 2.141 4 2 -11.3578847269645 1279674 C1CCC(CC1)NS(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 3.823 3 3 -4.76227233527535 1279661 COC(=O)C1=CC(=CC(=C1)C(=O)NN2C=NN=C2)[N+](=O)[O-] 1 -1.7e-002 5 5 0 -11.3614497772542 1279431 COC1=CC(=C(C=C1S(=O)(=O)N2CCOCC2)S(=O)(=O)N3CCOCC3)OC 1 -0.594 2 8 0 -15.8948532051137 1279404 CC(=O)OC1=C(C=C(C=C1)C=C2C(=O)N3C4=C(C=CC=N4)N=C3S2)OC 1 2.801 3 4 0 -13.0483251252761 1279386 CCN1C(=C2C(=O)N(C(=C(C#N)C(=O)OCC)S2)CC)C=CC3=CC=CC=C31 1 3.207 3 3 -3.81927122605692 1279216 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3C=NN=C3 1 1.699 6 0 0 0.627681865339111 1279155 CC1=CC(=CC=C1)OC2=CC(=CC3=C2C(=O)NC4=CC=CC=C4O3)[N+](=O)[O-] 1 4.285 2 5 0 -3.61921695248536 1279154 CC1=CC=C(C=C1)OC2=CC(=CC3=C2C(=O)NC4=CC=CC=C4O3)[N+](=O)[O-] 1 4.285 2 5 0 -4.78006700239591 1279138 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=C(C=C2)CC(=O)O 1 1.949 1 6 0 -7.51458153725256 1279053 CN1C=CC=C1/C=C\2/C(=O)N(C(=O)S2)C3=CC=CC=C3 1 3.315 2 2 -4.50262968245227 1279013 CN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC4=C(O3)C=CC(=C4)Br)N(C1=O)C 1 3.301 4 3 0 -7.94512186456245 1278946 C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=NNC(=O)C3=CC4=C(O3)C=CC(=C4)Br 1 4.007 3 4 0 -3.48981430099349 1278734 CC(C)(C)OC(=O)[C@@H]1[C@H](C(=NN1)C(=O)OC)C2=CC=CC=C2 1 1.868 2 4 0 -10.8449021863845 1278630 C1=CC2=NC(=CN2C=C1)COC3=CC=C(C=C3)C(=O)O 1 1.982 2 3 0 -6.70922922220205 1278620 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)C)C 1 3.909 3 2 -8.18532040466828 1278597 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NS(=O)(=O)C5=CC=CC=C54 1 2.134 3 4 0 2.70477095880189e-002 1278589 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)Br)CC(=O)O 1 4.286 0 5 -7.93027167651526 1278518 C1CN(CCN1C2=CC=CC=N2)C(=O)NC3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CO5)C6=CC=CO6 1 4.318 6 3 0 1.31471860138045 1278510 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=C(C=C4)F 1 2.492 2 4 -5.95207774302629 1278413 C1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=C(C4=CC=CC=C4S3)Cl)CCC(=O)O 1 5.581 2 3 -1.955848939579 1278274 C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CO3 1 3.479 3 3 -7.91096780170291 1278259 C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl 1 5.485 3 3 -1.09322381400511 1278258 CC1(CC(CC(N1)(C)C)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C 1 3.757 3 1 -9.01026566811517 1278251 C1CN(CCN1C2=CC=CC=N2)C(=O)COC3=C(C=C(C=C3)Cl)Cl 1 3.426 3 2 -1.69765270295776 1278238 CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CO4 1 4.244 2 3 -19.9625167834394 1278179 C1CN(CCN1CC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3 1 3.528 3 1 2.91860276156436 1278174 C1CN(CCN1C/C=C/C2=CC=CC=C2)CC(=O)NC3=C(C=C(C=C3)F)F 1 3.376 3 1 1.37078146866653 1278151 C1CN(CCN1CC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)F 1 3.733 3 1 3.71040354263379 1278144 C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-] 1 5.291 3 3 -19.3096998141732 1277980 CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CN=CC=C5 1 4.506 3 3 -13.1300155250545 1277944 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 0.668 3 6 0 -17.8576438979179 1277924 C1COCCN1C(=O)COC2=C(C=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)Cl 1 2.964 2 4 -8.55528112038115 1277712 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC=CC4=C3C=CC=C4Br 1 4.121 2 2 -5.42167314948262 1277429 C1CN(CCN1C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4)C5=NC=CC=N5 1 3.375 6 0 5.46109549258176 1277419 COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C3=CN=CC=C3 1 2.577 2 3 -12.5344536425637 1277404 CCOC(=O)C1=C(SC=C1C2=CC=C(S2)C)NC(=O)C3=CC=CO3 1 3.617 1 4 -6.81706004037012 1277401 CC(=O)N1CCC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CS3 1 1.505 2 3 0 -12.9326139344956 1277395 CC1=CC=C(N1N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(O4)C)C 1 3.018 3 2 -1.02313699677358 1277376 C1=CC=C(C=C1)C2=CC3=C(S2)N=CN=C3SCCC(=O)O 1 3.732 2 2 -8.38273685950346 1277363 C1=CC=NC(=C1)C2=CC3=C(C=C(C=C3)OCC4=C(C=C(C=C4)F)F)OC2=O 1 4.634 1 3 1.36498995833082 1277350 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3 1 3.365 3 2 -9.46978361017203 1277344 CC1=C(C(=NO1)C)CSC2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2CC=C 1 4.945 3 2 -36.5103045290574 1277339 CC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C)C 1 4.261 4 0 7.53795028216006 1277315 C1CN(CC2=CC=CC=C21)CNC(=O)C3=NC=CN=C3 1 0.944 4 1 0 -12.5849509780816 1277287 C1=CC(=CN=C1)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=CO3 1 2.125 3 3 -8.81965938970633 1277258 COC1=CC2=C(C=C1)C(=CC(=S)N2)C3=CC=CC=C3 1 4.086 1 1 2.25523015885873 1277248 COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NN=C(O4)C5=CC=CC=C5 1 5.044 5 2 0 -5.85543056761101 1277151 CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC=C(C=C3)OC)OC(=O)C4=CC=C(C=C4)F 1 4.538 0 5 2.52101592530676 1277147 CC1=C(C(=C(N1C2=NC(=C(S2)C)C3=CC=CC=C3)C)C(=O)C)C(=O)C 1 3.566 2 2 -1.84196162370154 1277084 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=S)NC(=O)C4=CC=CC=C4Br 1 6.441 4 1 -3.06647938327209 1276990 CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC(=O)NC3=NC=CS3 1 2.167 4 3 0 -18.0917227098567 1276764 CC1=CC2=NN=CN2C3=C1C=CC(=C3)OC 1 2.432 3 1 1.38346523720707 1276757 CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CN3CCOCC3 1 1.694 2 5 0 -9.29360284749317 1276750 COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCCN4CCOCC4 1 2.788 4 2 -1.22000752145711 1276746 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C 1 3.798 4 3 0 -42.5642396742417 1276726 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CN=CC=C4 1 1.212 4 4 0 -18.6491080167232 1276711 CCOC(=O)CN1C=NC(=N1)[N+](=O)[O-] 1 0.267 4 4 0 -9.75037149444097 1276707 C1=C2N=CC(=CN2N=C1C(=O)O)C3=C(C=NN3)[N+](=O)[O-] 1 0.309 6 4 0 -6.55489913969673 1276705 C1=C(C=NC2=C(C=NN21)[N+](=O)[O-])Br 1 0.745 4 2 0 -3.89004392000636 1276657 COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCOCC3)OC 1 3.738 1 6 0 -11.9365795005689 1276602 COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC 1 2.159 2 5 0 -23.3592059441523 1276597 C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)Br)C(=O)O 1 4.259 2 4 -9.53630317826073 1276539 C1=CC=C(C=C1)CN(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.228 3 3 -20.8942625262824 1276529 C1=CC(=CC=C1/C=C\2/C(=O)NC(=O)S2)O 1 1.7 1 3 0 5.93571746331025 1276522 C1=CC=C2C(=C1)C(=CN2CC3=C(C=C(C=C3)Cl)Cl)C=NN4C=NN=C4 1 4.456 5 0 4.62063566560118 1276464 CC(C)(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br 1 2.306 2 3 -19.6417025389999 1276278 C1=CC=C(C(=C1)C(=O)NN2C(=CC=C2C3=CC=CS3)CCC(=O)O)Br 1 4.465 2 3 -9.94943550008698 1276275 C1=CC(=CC=C1C2=CC=C(N2CC(=O)O)CCC(=O)O)Br 1 3.16 1 4 -6.89403539937459 1276231 CC1=CC=C(C=C1)CN(CC(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 2.724 3 3 -21.3050446962337 1276212 COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)Br 1 3.076 3 2 -12.4835138569498 1276206 C1CCN(C1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 4.283 4 3 0 -10.9632854663596 1276179 CC1(CC(=O)C(=CNN2C(=O)C3=CC=CC=C3N=C2C(F)(F)F)C(=O)C1)C 1 2.016 3 3 -10.4570383602744 1276157 C1=CC=C(C=C1)C(=O)C(=NNC2=CC3=CC=CC=C3C=C2)C(=O)NC4=CN=CC=C4 1 3.993 4 2 -2.62108133001107 1276138 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=CS3)C4=CC=C(C=C4)Cl 1 3.444 4 1 -1.76579286957463 1276120 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC(=C(C=C3)Cl)Cl 1 3.688 4 2 -12.2273084496974 1276097 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl 1 5.132 2 3 -6.27172771070548 1276093 C1=COC(=C1)C=NN2C(=NNC2=S)C(F)(F)F 1 2.566 4 1 -3.98781033328585 1276008 CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)OC)C3=NC4=C(O3)C=CC=N4 1 3.58 3 3 0.525732414300363 1275864 COC1=C(C=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.442 2 4 -4.033529073966 1275838 COC1=C(C=CC(=C1)N2CCOCC2)/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC5=C(C=C4)OCO5 1 2.255 3 7 0 -4.1318908941128 1275783 CN(C1=NS(=O)(=O)C2=CC=CC=C21)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.988 3 3 -3.59911449911697 1275697 CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)/C=C\4/C(=O)NC(=O)S4 1 2.959 3 3 1.86641169127496 1275696 CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)/C=C/4\C(=O)NC(=O)S4 1 2.959 3 3 1.86641169127496 1275690 CC1=CC(=C(N1C2=CC=C(C=C2)N(C)C)C)/C=C\3/C(=O)NC(=O)S3 1 3.271 3 2 0.293502463977332 1275683 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C 1 3.051 4 1 -7.12095391166482 1275676 CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)/C=C/4\C(=O)NC(=S)N4 1 2.847 4 2 -9.58743453998148 1275659 C1=CC=C2C(=C1)C(=O)N(C2=O)N=CC3=CC=C(C=C3)OC4=NC=C(C=C4)[N+](=O)[O-] 1 3.35 4 5 0 -4.24580849715785 1275231 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C(/C#N)\C(=O)NC4=CC=C(C=C4)OC 1 3.84 3 4 0 -14.957787539699 1275127 C1CCC(CC1)N2C(=O)/C(=C\C3=CC=CO3)/SC2=S 1 4.3 1 2 -7.25023083362818 1274950 C1=CC(=NC=C1/C=C/2\C(=O)NC(=O)S2)Cl 1 1.665 2 2 0 2.05664919432175 1274512 CCOC1=C(C=CC(=C1)C=C(C(=O)OC)C(=O)OC)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.762 1 8 0 -5.48662333548745 1274511 COC1=C(C=CC(=C1)C=C(C(=O)OC)C(=O)OC)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.413 1 8 0 -4.705162771785 1274431 CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=C(C=C3)Br)C 1 3.671 0 4 -0.47565781880074 1274397 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)C3=CC=CC=N3 1 3.125 2 4 -10.583081783088 1274337 COC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)NC3=CC=CC=C3 1 3.763 2 2 -4.73121690456198 1274334 C1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)NC3=CC=CC=C3 1 3.779 2 1 -4.78322597455044 1274209 COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)OC 1 2.697 3 4 0 -13.8319955470655 1274193 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)CSC3=S 1 1.819 3 2 0 -11.320504691435 1274192 COC(=O)CCC(=O)NC1=NN=C(S1)C(F)(F)F 1 0.844 3 3 0 -16.221275668706 1274107 CC1(CC(CC(N1)(C)C)NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)OC)C 1 2.373 2 3 -13.0040093406657 1273889 COC1=CC(=CC(=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)N3C=NN=N3 1 1.436 5 5 0 -24.5589909599083 1273880 COC(=O)CCSC1=C2C(=CC(=C1)[N+](=O)[O-])N(N=C2C3OCCO3)C4=CC=CC=C4 1 3.773 3 6 0 -9.76647231735647 1273744 CC1=CC(=NC(=C1C#N)SCC(=O)NC2=NN=C(S2)C3=CC=CC=C3)C 1 3.443 5 1 -17.586644124494 1273422 C1=CC(=CC=C1CC2(C(=O)NC(=O)NC2=O)CCC3=CC=NC=C3)[N+](=O)[O-] 1 2.009 4 5 0 -3.81032185366407 1273411 COC1=C(C(=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=N3)OC)OC 1 2.68 3 4 0 -2.74074348436588 1273390 C1=CC=NC(=C1)C2=CC3=C(C=C(C=C3)OCC4=CC=C(C=C4)C(F)(F)F)OC2=O 1 5.165 1 3 3.64893688975646 1273385 C1=CC(=CC=C1C2=CC=C(N2C3=CC=C(C=C3)O)CCC(=O)O)Br 1 5.013 1 3 -0.902331309408061 1273310 CC1=NC=C(C=C1)C(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F 1 3.962 3 2 7.53745704713199e-002 1273302 COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 3.078 2 4 -1.78526432528057 1273296 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.645 2 6 0 -18.3771793413142 1273295 C1=CC=C(C=C1)C(CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3 1 3.422 2 3 -17.5464072104287 1273270 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)Br 1 2.91 4 3 0 -13.1175100862071 1273260 CC(=O)NC1=CC=C(C=C1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 2.994 2 3 -7.50511404708259 1273259 CC(=O)NC1=CC=C(C=C1)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.51 2 2 -11.4797319507798 1273164 CC(=O)N1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)OC 1 3.045 3 3 -13.3375715045498 1273134 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3 1 4.228 1 4 -5.65589515282031 1273132 C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=C(C=C3)Br 1 4.101 2 2 -6.43802934226747 1273031 CN1C=CC=C1C=NN2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC 1 3.289 5 3 0 -9.77670360768392 1273023 COC1=CC(=C(C(=C1)OC)C=NN2C(=NNC2=S)C3CCCCC3)OC 1 4.16 4 3 0 -5.92118093892281 1273016 CC1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C 1 6.081 5 2 0 -24.3528345630542 1273015 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NNC(=S)NC4=CC=CC=C4 1 5.595 5 2 0 -23.8515827562224 1273011 CC1=CC=C(S1)C=NN2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35 1 4.504 3 0 1.85660615587557 1273008 C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)N=CC5=CC=CS5 1 4.358 3 0 -1.38435593292921 1273007 CC1=CC=C(O1)C=NN2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35 1 3.945 3 1 0.378170377399877 1273006 C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)N=CC5=CC=NC=C5 1 3.254 4 0 1.0898235662194 1273005 C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)N=CC5=CN=CC=C5 1 3.254 4 0 1.19309593989443 1273003 CC1=CC=C(S1)C=NNC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 0.704 6 3 0 -19.6194852275921 1272980 CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5 1 4.55 3 5 0 -24.9604338182275 1272977 CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)O)C4=CC=NC=C4 1 4.533 4 2 -7.51504350793038 1272957 C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-] 1 4.99 3 2 -9.1185156953881 1272945 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC 1 3.553 4 4 0 -24.4275588380109 1272823 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC(=CC=C2)Br 1 1.443 3 4 0 -11.7812924760303 1272813 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O 1 2.732 2 6 0 -5.99108995870445 1272810 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O 1 3.081 2 6 0 -6.75731311041247 1272770 CC(C)(C)C(=O)C1=C(C2=C(S1)N=C(C=C2C(F)(F)F)C3=CC=CS3)N 1 5.413 2 1 -2.91104243642047 1272766 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC(=N3)C 1 1.905 3 2 0 -12.749032736522 1272740 CC1=CC(=NC(=N1)NC(=O)NC(=O)C2=CC=C(C=C2)C(F)(F)F)OC 1 2.884 4 3 0 -5.78839070182067 1272723 CC1=NC(=CS1)CN2CCN(CC2)C(=O)NC3(CC3)C4=CC=CC=C4 1 1.977 4 1 0 -1.38007367858018 1272711 COC1=CC=C(C=C1)C2=NN(N=N2)CC3=NC(=NC(=N3)N)N4CCCCC4 1 1.831 9 1 0 1.87295913720292 1272696 CCCC(=O)NC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)NC(=O)CCC 1 3.676 4 2 -3.10623731285158 1272678 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NCC4=CC=CC=N4)S(=O)(=O)N(C)C 1 2.015 5 4 0 -24.0944166672602 1272637 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C(=C2)OC)OC)OC 1 1.682 2 6 0 -14.6366997229877 1272600 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CS3 1 1.699 1 6 0 -27.9940891006496 1272590 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(O2)Br)C 1 2.851 1 4 -13.7644868988762 1272579 COC1=C(C=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC=CS3)C(=O)OC)OC 1 2.673 1 6 0 -15.0598458700752 1272562 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)N4CCN(CC4)C)OC 1 3.873 4 3 0 4.57626376100089 1272528 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)O)CC3=CC(=CC=C3)C(F)(F)F 1 2.99 4 4 0 -20.1078160660223 1272412 C1=CC=C2C(=C1)C=CC(=C2C=NNC(=S)N)OCC3=CC=CC=C3Cl 1 4.939 3 1 1.09847483066848 1272394 COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=CS3)OC 1 2.969 3 3 -17.2535199162623 1272379 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=O)COC3=CC4=CC=CC=C4C=C3 1 2.657 3 3 -8.87751435760039 1272230 CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl 1 4.663 3 1 -9.03033670711992 1272229 C1=CC(=CC=C1CN2C=C(C=N2)Cl)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.841 3 1 -7.33731568913585 1272106 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl)Br 1 3.284 2 2 -3.5368143945964 1271699 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5Cl 1 4.024 4 5 0 -14.8306309294119 1271606 COC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)CSC3=CC=CC=N3 1 4.164 3 3 -13.7126309930568 1271521 C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=CS4)F 1 4.088 3 2 0.618557992655574 1271512 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCOCC3 1 0.795 3 4 0 -11.0747136746363 1271426 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O 1 4.15 1 5 -4.20461719880595 1271401 CC1=C(N2C=CC=CC2=N1)C(=O)NN=CC3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 2.013 5 4 0 -8.84264783317249 1271399 CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=C(C=C2)O)Br)O 1 3.518 2 4 -7.79131549961254 1271395 CN1C(=O)C(=CC2=CC=CC=C2OCC3=CC=CC=C3Cl)C(=O)N(C1=O)C 1 3.507 2 4 -5.03287111312143 1271328 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=CC=CC=C5OC4=O 1 2.582 2 5 0 -8.70616114237309 1271324 C1=CC=C(C=C1)CSCC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)Cl 1 3.986 4 1 -10.2756911743915 1271305 CC1=CC=C(C=C1)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCCCC3 1 3.088 2 3 -13.929420346656 1271301 CC1=CC(=C(C(=C1NS(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)C3=CC=CC=C3)O 1 4.15 1 5 -2.45226471095161 1271299 C1CS(=O)(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 1.361 1 5 0 -2.98159785205146 1271291 C1COCCN1CC(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3 1 0.837 5 3 0 -21.0844549222304 1271232 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)OC 1 2.327 3 5 0 -15.4168128593228 1271216 C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)Br)Br 1 4.526 2 4 -6.69473191219816 1271214 CC(C)(C)C(=O)NC1=CC2=C(CC3=C2C=C(C=C3)NC(=O)C(C)(C)C)C=C1 1 4.826 2 2 -9.91938261655962 1271204 COC1=C(C=C(C=C1)C=NNC(=S)NC2=CC=CC=C2)COC3=CC=CC=C3F 1 5.842 3 2 -8.54765069843183 1271201 CC1=C(C(=CC=C1)OCC2=C(C=CC(=C2)C=NNC(=S)NC3=CC=CC=C3)OC)C 1 6.609 3 2 -6.43202262660059 1271198 COC1=C(C=C(C=C1)C=NNC(=S)NC2=CC=CC=C2)COC3=CC=C(C=C3)F 1 5.842 3 2 -7.55250754556653 1271071 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 5.066 2 3 -1.13241037244822 1271047 C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 5.045 1 1 -7.55362909249222 1270620 CC1(CC2=C3C(=C(SC3=NC(=C2CN1C)N4CCOCC4)C(=O)C5=CC=CC=C5)N)C 1 3.809 4 2 -7.8669250616233 1270613 CN1C2=CC=CC=C2C(=C1CC(=O)NC3=CC=C(C=C3)OC)SC4=CC=CC=C4 1 5.542 2 2 -2.71998054370689 1270598 CC1=NN(C(=C1C=NNC(=O)C2=CC=CC=C2F)Cl)C3=CC=CC=C3 1 3.856 4 1 -3.83767461442303 1270554 CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)/C=C/3\C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C)Cl 1 4.738 2 6 0 -5.31713572329821 1270457 C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)CCC(=O)O)NC(=O)CCC(=O)O 1 1.736 2 6 0 -10.7271742425923 1270439 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 2.215 2 5 0 -18.4594333923945 1270414 COC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3CCCC3=O)OC 1 2.071 3 4 0 -18.0747631076127 1270409 CC(C)(C)NC(=O)CN1C(=NC=N1)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C 1 1.058 8 3 0 -24.9747096907518 1270364 CCC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=CC=C3C(F)(F)F 1 4.969 2 1 -1.28891819855389 1270351 C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)C5=CC(=C(C=C5)Cl)Cl 1 4.469 6 1 0 -7.90547819327082 1270202 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN=CC3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl)O 1 5.111 2 5 0 -8.54920230750689 1269693 CC1=CC(=CC(=C1)OCC2=CC=C(O2)C(=O)NC3=CC=CC=C3C(=O)OC)C 1 4.482 1 5 -11.6690132163678 1269690 CC1=C(C=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC=CC=C3C(=O)OC)C 1 4.482 1 5 -11.6069518524297 1269686 CCN(CC)C(=O)C1=CC=C(O1)COC2=CC=CC=C2Br 1 3.73 1 3 -7.89232743387614 1269684 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(O3)COC4=CC=CC=C4Br 1 4.05 3 3 -3.52282826654167 1269682 CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCC3=CN=CC=C3 1 3.911 2 3 -8.02806251691304 1269680 CC(C)(C)NC(=O)C1=CC=C(O1)COC2=CC=CC=C2Br 1 3.758 1 3 -10.6266884290275 1269677 COC1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)COC3=CC=CC=C3OC 1 3.95 1 5 -11.5213419844081 1269665 CC1=C(C(=NN1C(=O)C2=CC=C(O2)COC3=CC=CC=C3OC)C)Cl 1 4.044 2 4 -7.19218804721694 1269653 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(O3)COC4=C(C=CC(=C4)Cl)Cl 1 4.758 1 5 -9.37401452201859 1269652 CN(C1=CC=CC=C1)C(=O)C2=CC=C(O2)COC3=CC=CC=C3Br 1 4.609 1 3 -4.89223568129828 1269642 C1=CC(=CN=C1)NC(=O)C2=CC=C(O2)COC3=C(C=CC(=C3)Cl)Cl 1 3.833 2 3 -4.52739395323947 1269641 CCCC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC=CC(=N3)C)OC 1 4.708 2 4 -6.77381075814673 1269634 C1=CC=C(C(=C1)OCC2=CC=C(O2)C(=O)NC3=NC=C(C=C3)Cl)Br 1 4.456 2 3 -2.47265030149442 1269633 COC1=C(C=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Br)OC 1 4.37 1 5 -9.41887713011507 1269632 C1=CC=C(C(=C1)OCC2=CC=C(O2)C(=O)NCC3=CN=CC=C3)Br 1 3.259 2 3 -10.563238269025 1269631 CC1=CC(=NC=C1)NC(=O)C2=CC=C(O2)COC3=C(C(=CC(=C3F)F)F)F 1 4.351 2 3 -3.50966519543101 1269620 CC1=NC(=CC=C1)NC(=O)C2=CC=C(O2)COC3=C(C=C(C=C3)Cl)Cl 1 4.654 2 3 -2.40482016334387 1269619 C1CCC(C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Br 1 4.228 1 3 -6.92990792092792 1269615 C1=CC=C(C(=C1)OCC2=CC=C(O2)C(=O)NC3=NC=CS3)Br 1 3.4 2 3 -6.3378529375565 1269541 COC1=C(C=C(C=C1)C=NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)OC 1 3.579 2 4 -13.6943516281833 1269521 CC1=NNC(=NC1=O)NN=C(C)C(=O)O 1 -0.927 5 3 0 -7.77168970010797 1269520 CCOC(=O)C1=CC=CC=C1NCN2C(=O)CSC2=O 1 1.894 2 4 0 -16.9718470606893 1269494 CCOC(=O)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.189 3 2 3.11083931445869 1269436 COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)S2)OC(=O)C3=CC=CO3 1 2.753 1 6 0 -3.26999191260306 1269420 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N=C(S2)N)O 1 2.087 2 3 -1.59564771241878 1269324 C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)C#N 1 5.974 2 3 -2.94423762211262 1269305 C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O 1 4.606 3 4 0 -10.8517981871562 1269291 CC1=NN(C(=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3 1 3.199 3 4 0 -11.178590116882 1269285 CCOC1=CC=C(C=C1)N2C(=O)CSC2=NC#N 1 2.353 3 2 -8.10578368209302 1269230 C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)OCC3=CC=C(C=C3)F 1 4.301 1 4 -8.05608648573551 1269176 COC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(O2)C3=CC=CC=C3C(=O)O)/C#N 1 3.739 2 5 0 -14.4054581551242 1269079 C1(=NC2=NON=C2N=C1N)N 1 -0.926 6 1 0 -7.6584711092054 1268999 C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)F 1 5.049 1 4 -5.32961336005354 1268997 C1=CC=C(C(=C1)COC2=CC=CC(=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)F 1 4.301 1 4 -11.1217922549532 1268818 C1=CC=C(C=C1)C2=NN3C(=NN=N3)C4=CC=CC=C42 1 2.009 5 0 -4.03911815541598 1268473 CC1=CC(=NC2=NC(=NN12)C(=O)NN=CC3=C4C=CC=CC4=CC5=CC=CC=C53)C 1 3.577 6 1 0 -8.2988645699526 1268380 CCC(=O)NC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.572 3 2 -7.50296729110593 1268379 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.61 3 5 0 -15.0883784749469 1268376 C1=CC=C(C(=C1)C(=O)NC2=CC=CC=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.682 4 4 0 -10.0116570090651 1268365 C1=CC=C(C(=C1)C(=O)NC2=NC=C(C=C2)Br)NC(=O)C3=CC=CC=C3Cl 1 4.2 3 2 -9.64369276672121 1290039 CC1=C(C=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)OC 1 1.779 2 5 0 -10.0535158476799 1290007 CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N=C2C4=CC=CC=C4Cl 1 5.709 3 1 -5.16983773263207 1290001 CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=CC=C3)F 1 3.52 2 2 -8.19248492068458 1289928 COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCC(=O)N4CCC5=CC=CC=C5C4)OC2=O 1 3.841 1 5 -14.3667631150734 1289926 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 3.689 2 4 -14.3281195934844 1289925 CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSC3=NC4=CC=CC=C4O3 1 4.187 3 2 -5.71422799968576 1289924 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.684 2 5 0 -13.8431186725442 1289922 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC 1 4.819 2 5 0 -22.2696073903977 1289912 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 2.65 3 3 -15.7472763948562 1289890 CC(C)(C)C1=CC=C(C=C1)OCC(=O)N(C2CCCCC2)C3=CC=CC=N3 1 5.303 2 2 -4.3394111879086 1289870 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=NOC=C3 1 0.396 3 6 0 -22.1207119276177 1289826 CCOC(=O)CSC1=C(C2=C(C=CC(=C2)Cl)NC1=O)C3=CC=CC=C3 1 3.697 1 3 -9.67852022133879 1289793 CC1=C(C(=CC=C1)OCC(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3)C 1 4.423 3 3 -6.97323973131493 1289767 C1CCN(CC1)C2(CCN(CC2)C(=O)CSC3=NC(=O)C=C(N3)C(F)(F)F)C(=O)N 1 0.843 5 3 0 -17.0967543403773 1289753 CCC1=NC=CN1C(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=C(C=C4)C 1 3.887 5 1 -5.48240876203217 1289752 COC1=C(C=C(C=C1)C2(CCCC2)C(=O)NCCC3=CC=CC=C3)OC 1 4.365 1 3 -12.6284795049253 1289729 C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C4N3C(=CS4)C5=CC=CC=C5 1 4.408 3 3 -9.34559657857264 1289723 COC1=C(C=CC(=C1)C(=O)NCC2=CC=CC3=CC=CC=C32)OCC4=CC=CC=C4 1 5.08 1 3 -10.5448582491023 1289682 CC1(CC2=C(C=C(C(=O)N2C3=CC=CC=C3)C(=O)NN4C=NN=C4)C(=O)C1)C 1 0.847 5 3 0 -19.0064834829486 1289678 COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 3.956 4 2 -13.9743050037205 1289655 CN(C1=CC=C(C=C1)C(=O)NC2CCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.798 2 3 -10.5319275724142 1289651 COC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 4.251 1 4 -13.6838674420163 1289638 CC1=CC=CC=C1N(CC(=O)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.4 2 3 -14.0714716335807 1289633 CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)N2CCCC2 1 1.438 2 3 0 -16.8798257625075 1289627 CN1C=NN=C1SCC(=O)C2=CC3=CC=CC=C3OC2=O 1 1.759 3 3 0 -19.4807747277315 1289622 CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 2.623 3 3 -17.8444855134098 1289618 CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=C(S2)C 1 3.334 2 1 -11.5624602264612 1289615 CC1=NN=C(S1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.256 3 3 -13.3316521198978 1289607 COC1=CC=CC=C1C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3 1 2.832 3 3 -14.6878842860008 1289595 CCN1C(=NN=N1)OC2=CC=C(C=C2)Cl 1 2.255 4 1 -7.19614292498169 1289593 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NNN=N3 1 0.431 5 2 0 -5.8677210411549 1289526 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCOCC2)S(=O)(=O)C 1 -0.222 3 7 0 -17.7319423616796 1289514 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC=C3 1 2.957 2 5 0 -12.2121767646486 1289498 CCOC1=CC=C(C=C1)N(CC(=O)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.788 2 4 -13.4611788485495 1289497 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 1.73 2 5 0 -15.423666215499 1289470 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCCCC2)S(=O)(=O)C 1 1.007 3 6 0 -16.163645911904 1289464 CC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3)Cl 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2.526 2 5 0 -22.5726755171211 1289067 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)Cl 1 1.935 2 6 0 -4.53812775497784 1289028 C1=CC(=CC=C1OCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)COC3=CC=C(C=C3)Cl)Cl 1 4.028 2 6 0 -7.42026571166443 1289024 COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)N2C3=CC=CC=C3N=N2 1 3.423 3 4 0 -9.7662476825447 1289010 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)N)C)Cl 1 1.144 3 6 0 -16.4297018779699 1289003 COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5 1 5.366 3 3 9.55192567382511 1288986 COC1=C(C(=CC(=C1)CNN2C(=NN=N2)N)Br)OCC3=C(C=CC=C3Cl)Cl 1 3.654 6 2 0 -8.21269370116552 1288984 CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(ON=C3C)C)C4=CC=CC=C4)C 1 4.697 3 2 -27.2997716438009 1288978 C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 1 3.151 3 4 0 -23.2809305378856 1288970 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(O2)Br)OC 1 2.174 1 6 0 -11.9034341857864 1288960 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C=NC3=C2C=C(C(=C3)C)C 1 4.672 2 3 -5.27273166415347 1288955 CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCOCC3)C4=CC=CC=C4)C 1 4.077 3 2 4.05923175671942 1288943 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C 1 2.047 3 4 0 -16.5045069544301 1288938 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC3=CN=CC=C3)CC4=C(C=CC=C4Cl)F 1 3.311 5 3 0 -13.7426006868029 1268248 C1=C2C(=CC(=C1F)Cl)NC(=S)N2 1 3.406 2 0 -3.1144592770868 1268156 CC(C)(C)OC(=O)N1CC2=C(C[C@@H]1C(=O)O)C3=CC=CC=C3N2 1 2.8 2 4 -6.05036770142788 1267978 C1CN(CCC1C(=O)N)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CO4 1 1.249 5 4 0 -9.16898336735408 1267963 C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NC3=CN=CC=C3 1 2.143 4 4 0 -9.94186792771062 1267907 CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)C 1 4.269 4 3 0 -2.52671247086083 1267908 C1CCN(CC1)C2(CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NN=N4)C(=O)N 1 8.2e-002 7 2 0 -18.7402519414542 1267915 CCN(CC)CC1=C(C2=CC(=C(C=C2O1)Br)O)C(=O)OCC 1 3.693 1 4 -5.28489908337348 1267868 C1=CC=C(C=C1)N2C3=C(C(=O)N=C(N3)C4=CC=C(C=C4)F)SC2=S 1 4.878 3 1 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CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NCCN4CCOCC4 1 2.076 4 3 0 -15.8390681254459 1267782 C=CCN1C(=NN=C1SCC2=NC(=NC(=N2)N)N3CCCCC3)C4=CC=CO4 1 2.762 8 1 0 -7.93714144832487 1267765 CCOC(=O)C1=C(C(=C(N1)C)CN(CCC2=CC=CC=C2)S(=O)(=O)C)C 1 3.079 2 4 -10.4612228553482 1267761 CCN1C(=C(C(=NC1=S)N2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)C)C 1 3.931 4 1 1.56064171848409 1267760 CCN(CC1=CC=CC=C1)C(=O)CSC2=C3C(=CC(=N2)C)COC3=O 1 2.849 2 3 -18.0109098121673 1267737 CCCC1=CC2=C(C=C1NS(=O)(=O)C3=CC=C(C=C3)CCNC(=O)C)OCO2 1 2.932 2 5 0 -7.67374098176323 1267684 CC1=CC=C(C=C1)C2=CSC(=N2)N3CCC(CC3)(C(=O)N)N4CCCCC4 1 2.754 4 1 -0.732995453713971 1267680 CCN1C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC=C3C)C)N(C1=O)CC 1 3.262 3 3 -6.94278340125674 1267679 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC4=C(C=C3)C(=O)OC4 1 2.566 4 3 0 -17.3709611445188 1267671 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC(=NN3C4=CC=CC=C4)N 1 3.603 5 1 -10.1780298258804 1267643 CCOC1=C(C=C(C=C1)CC(=O)C2=C(CC(CC2=O)(C)C)NCC(=O)O)OCC 1 2.385 1 6 0 -17.3670916036453 1267630 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=C3C=CC=NC3=C(C=C2)OC 1 3.049 2 3 -7.46564381591628 1267536 COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(N=N3)CC(=O)N 1 1.781 5 4 0 -4.12572454491595 1267558 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2C4=CSC=N4)Br 1 4.692 3 0 -0.575394424034561 1267511 C1CN(CCN1CC2=CC=CC=C2)C3=NC(=NC(=N3)N4C=CN=C4)C5=CC=CC=C5 1 3.36 7 0 0 8.75160459160228 1267486 CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CN3CCN(CC3)C4=CC=CC=C4 1 3.876 2 4 4.28115176933651 1267450 C1=CC=C(C=C1)C2=C(N(C(=S)N2)CC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4 1 5.373 2 1 -5.59610683459878 1267444 CC(=O)N(CC1=CC=CC=C1)CC(=O)NC2=NN(N=C2C(=O)N)C3=CC=CC=C3 1 1.346 6 3 0 -11.0567885879457 1288891 CC(=O)NC(=S)NC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3 1 3.145 4 2 -9.40391266359794 1288879 COC1=CC=C(C=C1)C2=NN(C(=N2)SCC3=CC=CC=C3)C(=O)C4=CC=CO4 1 4.91 3 3 -4.39512225338388 1288855 CC1=C(C=CC=C1NC(=O)CC2=CC=C(C=C2)OC)C(=O)NN3C(=O)C4=CC=CC=C4C3=O 1 2.985 3 5 0 -11.1766307924964 1288847 CCOC(=O)CON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=C(C=C3)C)[O-] 1 2.172 2 5 0 -11.9273329214724 1288839 C1CCN(CC1)C(=O)C2=C(C=C(C=C2)NC(=O)CCCC(=O)O)Cl 1 2.247 2 4 -15.778117485995 1288834 COC1=C(C=C(C=C1)Br)CNC2=CC=C(C=C2)N3CCOCC3 1 3.804 2 2 -1.70484198788236 1288833 C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=O)CSC4=CC=C(C=C4)Cl 1 5.113 3 1 3.66768046064229 1288829 CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CO4 1 4.113 3 3 -2.01318017461506 1288816 CN1N=C(N=N1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 1.749 6 3 0 -6.0182013778498 1288812 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CC2)C3=CC(=C(C=C3)C)Cl 1 3.709 2 3 -16.4633310926599 1288791 CC1=CC(=C(N1C2=C(C=CC(=C2)F)F)C)C(=O)CSC3=NNC(=N3)N 1 3.281 5 1 -3.90854762531746 1288785 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3)C 1 2.518 3 3 -14.4572896668722 1288769 CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=C(C=C2)F)N3C(=NC4=CC=CC=C43)C 1 4.718 3 2 -0.693218452015391 1288753 CC1=C(C(=C(N1C2=NC(=C(S2)C)C3=CC=C(C=C3)Br)C)C(=O)C)C(=O)C 1 4.314 2 2 -1.00210626190096 1288675 CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=N4)[O-] 1 2.764 3 3 -6.43317991098137 1288686 COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3 1 1.608 3 4 0 -9.36810014201053 1288687 COC1=CC=C(C=C1)NC2=NN=C3N2C4=C(C5=C(S4)CCCC5)C(=O)N3CC=C 1 3.903 5 2 0 -18.7232071831079 1288695 C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4 1 4.229 4 3 0 1.70361556272714 1288697 CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 2.396 1 6 0 -12.7345218012751 1288714 CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)CSCC3=CC=CC=C3 1 5.24 1 1 -12.4677823366008 1288712 C1CN(CCN1C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)Br)Cl)C(=O)C4=CC=CC=C4 1 5.07 3 2 -4.96301163837988 1288703 COC1=C(C=C2C(=C1)CCN3C2=C(CCC3=NC(=O)C4=CC=CO4)C#N)OC 1 2.638 3 4 0 -10.9887143147799 1288702 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC2=CC=CC(=C2)C(=O)C)Cl 1 2.045 2 5 0 -5.20336925669746 1267283 C1=CC=C2C(=C1)C=CC=C2/C=C\3/C(=O)N(C(=N)S3)C4=CC=C(C=C4)F 1 4.893 2 1 -0.141355388152127 1267238 CCOC1=C(C=C(C=C1)CC(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=CC=C4)OCC 1 4.694 2 5 0 -6.59866327699306 1267226 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC3=C(C=C2C#N)OCO3 1 2.009 4 4 0 -16.4407558734529 1267183 CC1=CC(=NC(=N1)NC2=NCC(=O)N2C3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C 1 1.477 5 5 0 -11.7818690376081 1267158 C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl 1 3.062 1 6 0 -5.39473255335838 1266997 CCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NCCC3=C(NC4=C3C=C(C=C4)C)C 1 4.862 2 2 -6.7717709510487 1266946 C1=CC=C2C(=C1)C3=C(C2=O)C=CC(=C3)C(=O)OCC4=CC(=CC=C4)F 1 4.567 0 3 -4.00898655632413 1266917 C1CN(C(=O)N1)C(=O)C2=CC=CO2 1 0.237 2 3 0 -10.9748866056588 1266914 CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC=NC=C4 1 1.818 5 0 0 -1.9869487508334 1266912 CC1=CC=C(C=C1)C(=O)CN(C(=O)C2=CC=C(C=C2)Cl)N3C(=O)CCC3=O 1 2.859 2 4 -5.59141510179356 1266902 C1CCCN(CC1)C2=NC(=NC(=N2)N3C=CN=C3)C4=CC=CC=C4 1 3.193 6 0 4.98929923233017 1266900 C1CCC2(C1)CC3=CC=CC=C3C4=C2C5=NC(=NN5C=N4)C6=CC(=CC=C6)O 1 4.922 4 1 1.279428006243 1266897 CN(C1=CC=CC=C1)C2=NC(=NC(=N2)N3C=CN=C3)N4C=CN=C4 1 1.966 8 0 0 1.75346169959549 1266833 C1=CC=C2C(=C1)N=C(S2)S/C(=C/C3=CC=CN3)/C#N 1 4.01 3 0 9.70992259452269e-002 1266830 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2NS(=O)(=O)C 1 1.73 2 5 0 -16.3214283798816 1266826 C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4 1 5.393 4 1 -15.1973314138524 1266812 CC1=NN(C(=C1C(=O)O)CC(C)(C)C(=O)O)C2=CC=CC=C2 1 2.839 2 4 -4.20092999078913 1266802 C1=CC(=CC(=C1)F)C2=NN=C(O2)SCC(=O)NC3=NN=CS3 1 1.528 5 2 0 -10.7136500998005 1266779 COC1=CC=C(C=C1)N2C(=NN=N2)S(=O)(=O)CC3=CC=C(C=C3)C(=O)O 1 1.981 4 5 0 -19.3073681386208 1266774 CC(=O)NC1=NON=C1C2=NC3=CC=CC=C3N2CC4=CC=CC=N4 1 2.016 6 2 0 -7.47073696871968 1266770 CC(C)CCN1C2=C(N=C1OC3=CC=CC=C3Cl)N(C(=O)N(C2=O)C)C 1 4.246 4 3 0 -13.1044249722111 1266769 COC(=O)C1=CC(=CC=C1)CN2C(=O)C3=CC=CC=C3N=N2 1 3.271 3 3 -20.752383737778 1266768 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)C 1 2.832 5 3 0 -6.06873868728271 1266750 CC1=CC=C(N1C2=CC3=C(C=C2)C(=O)OC3)C 1 2.606 1 2 -4.2829463636353 1266748 CC(=O)C1=CC(=CC=C1)NC(=O)CON=C2CCCC3=NON=C32 1 1.074 4 4 0 -9.28509166261738 1266747 COC1=CC=C(C=C1)C(=O)CN(C(=O)C2=CC=C(C=C2)Cl)N3C(=O)C4=CC=CC=C4C3=O 1 3.805 2 5 0 -2.64123905922506 1266725 CCN(CC)C(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C 1 2.915 2 3 -11.8716804323664 1266705 CC(C)(C)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)N 1 1.805 2 4 0 -10.0998836300411 1266660 CC1=CC(=NC(=N1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(F)(F)F 1 3.917 3 3 -7.75843619553393 1266559 CC(=O)C1=CC(=CC=C1)N(CC(=O)O)S(=O)(=O)C 1 0.168 1 5 0 -14.1287391746349 1266554 CC1=CC=C(C=C1)S(=O)(=O)NCC2(CCOCC2)C3=CC=C(C=C3)OC 1 2.936 1 4 -13.7369512103868 1266549 C1COCCN1C2=NC(=NC(=N2)OC3=NNC(=O)C=C3)N4CCOCC4 1 -0.387 7 4 0 -10.3234393035179 1266539 CC1=C(C(=NC(=C1Cl)C)Cl)C(=O)NC2=CC(=CC=C2)F 1 3.976 2 1 -1.45152040629441 1266538 CCC1=CC=C(C=C1)NC(=O)C2=C(C(=C(N=C2Cl)C)Cl)C 1 4.713 2 1 -3.48196420770394 1266537 CC1=CC=CC=C1NC(=O)C2=C(C(=C(N=C2Cl)C)Cl)C 1 4.257 2 1 -5.9052056474735 1266535 CC1=C(C(=NC(=C1Cl)C)Cl)C(=O)NC(C)(C)C 1 3.125 2 1 -7.68196005001389 1266532 CC(C)CN(CC(C)C)S(=O)(=O)C1=C2C=CC=NC2=C(C=C1)OC 1 3.5 2 3 -7.06808162366325 1266531 CC1=CC(=NC2=NC(=NN12)SCC(=O)NC3=CC=C(C=C3)C(=O)C)C 1 2.245 5 2 0 -17.7677647414603 1266530 CC1=C(C(=NC(=C1Cl)C)Cl)C(=O)NC(=O)NCC2=CC=CC=C2 1 3.557 3 2 -4.92147143393291 1266528 CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)OC)C 1 3.946 2 3 -3.53588268046675 1266519 CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC=CC3=C2N=CC=C3 1 2.548 4 2 -17.7348343623313 1266504 CCOC(=O)C1=C(N(N=N1)C2=NC(=NC(=N2)N3CCCC3)N4CCCC4)C5=CC=CC=C5 1 3.716 8 2 0 -8.71416956697034 1266502 CCOC(=O)C1=C(N(N=N1)C2=NC(=NC(=N2)OC)N3CCCC3)C4=CC=CC=C4 1 3.697 7 3 0 -10.6161231920041 1266501 CC(=O)NC1=CC(=CC=C1)OCC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.809 2 5 0 -9.01448549551782 1266500 CCOC(=O)C1=C(N(N=N1)C2=NC(=NC(=N2)OC)N3CCCCC3)C4=CC=CC=C4 1 4.153 7 3 0 -10.9705917061721 1266484 CCOC(=O)C1=CN=C2N=C(NN2C1=O)NCC3=CC(=C(C=C3)OC)OC 1 0.359 5 5 0 -12.2344998671705 1266482 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br 1 4.687 3 2 4.17124226077553 1266472 CC1=CC(=CC=C1)OCC(=O)NC2=C(SC=C2)C(=O)OC 1 2.745 1 4 -7.8953181813323 1266465 CN(CC(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 1.557 2 5 0 -20.9382317232764 1266461 CC(C)NC1=NC(=NC(=N1)N2C=CN=C2)N(C3=CC=CC=C3)C4=CC=CC=C4 1 3.936 7 0 0 -4.81944049713041 1266460 CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)S(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 2.198 2 6 0 -10.1723851311744 1266459 C1=CC2=CN=C(N2C=C1)C3=CC=CS3 1 2.47 2 0 -5.94396152052337e-002 1266457 C1CCN(C1)C2=NC(=NC(=N2)N3C=CN=C3)N(C4=CC=CC=C4)C5=CC=CC=C5 1 3.877 7 0 0 1.30304281326703 1266452 CCCC1=CC(=O)N2C(=N1)N=C(N2)C3=CC(=C(C(=C3)OC)OC)OC 1 1.757 4 4 0 -7.03017102989947 1266448 COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CO2)Br 1 3.409 2 3 -12.114111131083 1266440 C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=CC=CC=C3F)C4=CSC=N4 1 3.202 4 1 -6.43712052425506 1266427 COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)CO)Cl 1 2.493 1 4 -8.03566311228852 1266413 CC1=C(C(=NC2=NC(=NN12)CCC3=CC=CC=C3)C)Cl 1 3.581 4 0 -4.87632596541533 1266411 CCOC1=CC=CC=C1NC(=O)CSC2=NNC(=N2)N 1 1.416 5 2 0 -12.0100827299801 1266401 C1CCN(CC1)C2=NC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)F)N4CCCCC4 1 3.811 6 1 0 -7.81415460151117 1266395 C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=C(N3)C4=CC=CO4 1 1.456 4 2 0 0.375183049972977 1266388 CC(C)(C1=CN(N=N1)C2=NON=C2N)O 1 0.131 6 2 0 -10.9874001008527 1266385 CN1CCC2(CC1)C(=C(NC(=C2C#N)S)N)C#N 1 0.384 5 0 0 -1.98957101667817 1266375 C1CN(CC2=CC=CC=C21)CCN3C(=O)C4=CC=CC=C4NC3=S 1 3.939 3 1 -9.09391306132943 1266369 COC1=CC=CC=C1NC(=O)C2=CC=CC=C2NS(=O)(=O)C 1 1.509 2 4 0 -13.052628859849 1266366 CCNC(=O)C1=CC=C(C=C1)N2C3=C(CCCC3)C(=N2)C(F)(F)F 1 4.367 3 1 -6.05392075601287 1266364 CSC1=NSC(=N1)SCC2=CC=C(C=C2)Cl 1 4.552 2 0 -2.05493320803444 1266360 C1[C@@H]([C@H](C(=O)C=C1C2=CC=CC=C2)N3N=C(N=N3)[N+](=O)[O-])C4=CC=CS4 1 3.803 5 3 0 -6.06793893258588 1266353 C1[C@@H]([C@H](C(=O)C=C1C2=CC=CS2)N3N=C(N=N3)[N+](=O)[O-])C4=CC=CC=C4 1 3.946 5 3 0 -5.50599673990687 1266350 C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=C(N3)COC4=CC=CC=C4 1 1.896 4 2 0 -2.17808899198263 1266345 CC1=CC2=NC3=C(CCN3CC4=CC=CO4)C=C2C=C1 1 4.043 2 1 0.586905986142238 1266325 CC1=CC=C(C=C1)CNC(=O)CSC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4 1 4.098 6 1 0 -12.401095252326 1266316 CC(C)(C)NC(=O)CN1N=C(N=N1)C2=CC=CS2 1 1.449 5 1 0 -12.2400688914101 1266303 CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O 1 1.771 2 5 0 -12.7666118640033 1266293 C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=CS3 1 4.539 2 2 -13.4354750820944 1266291 CC1=C(C(=CC=C1)C)N2CCN(CC2)CCN3C(=O)C4=CC=CC=C4NC3=S 1 4.882 4 1 -3.70190861880537 1266290 C1=CC2=NN=C(N2C=C1)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.14 4 2 -3.97544696972425 1266229 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=NC=C3 1 2.28 3 4 0 -10.8730913063946 1266204 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCNC(=O)C3=CC=C(C=C3)OC 1 2.336 5 3 0 -21.1047193352531 1266194 CSC1=NSC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.199 4 1 -7.4310723399807 1266187 CC12CN(CC(C1=O)(CN(C2)C(=O)C3=CC=CO3)C4=CC=CC=C4)C(=O)C5=CC=CO5 1 2.368 2 5 0 -6.63562239629271 1266178 CC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)Cl)OC 1 3.347 2 4 -15.6304471235312 1266167 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=NC=C3)C 1 3.417 3 3 -13.6556398578811 1266136 CCOC(=O)C1=CN=C2C(=C1N3CCOCC3)C=CC=C2C(F)(F)F 1 3.012 2 3 -4.43437382264621 1266131 C1CC2=C(C1)N=C3N=C(NN3C2=O)COC4=CC=CC=C4 1 1.26 4 2 0 -6.91059697059117 1266105 C1CN(CCN1CC2=CC3=C(C=C2Br)OCO3)C4=CC=C(C=C4)F 1 4.255 2 2 7.53151227719092 1266101 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC4=C(C=C3)N5CCN(CC5=N4)C6CCCCC6 1 3.341 6 2 0 -9.84224771060813 1266096 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 2.886 3 3 -8.9687841839824 1266090 CC(C)C(=O)C1=CC2=C(C=C1NC(=O)C3=CC=CC=C3)OCCO2 1 3.269 1 4 -11.0143030570314 1266083 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-] 1 3.833 4 4 0 0.290141559049677 1266077 COC1=CC=CC(=C1OCC2=CC=CC(=C2)C(=O)O)/C=C(/C#N)\C3=CC=C(C=C3)F 1 5.041 1 4 -7.6876150668833 1266057 CCOC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)F 1 2.542 1 5 -11.1884968556684 1266032 C1=CC=C(C(=C1)C(=O)SC2=CC=CC3=C2N=CC=C3)Br 1 4.754 1 1 1.41006501568246 1266017 CC(=O)NC1=NC(=C(S1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC 1 3.671 2 3 1.18203724183445 1265998 CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=COC=C4 1 3.712 2 3 -9.65983838299612 1265989 COC1=CC=CC(=C1)CNC(=O)C2=CC=CC=C2N 1 1.858 2 2 0 -7.79230013737449 1265987 C1=CC=C(C(=C1)C=NNC(=O)CC2=CSC(=N2)NC3=CC=CC(=C3)C(F)(F)F)OCC(=O)O 1 3.464 4 4 0 -0.665864930539691 1265960 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC4=C(C=C3)N(C(=N4)CN5CCN(CC5)C(=O)C)C 1 0.881 7 3 0 -9.04696051246504 1265958 CCCC1=CC(=O)N2C(=N1)N=C(N2)C3=CC=CO3 1 1.201 4 2 0 -2.36559530959414 1265940 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.202 2 6 0 -18.9807570726673 1265885 CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N3CCN(CC3)CC4=CC=CC=C4 1 3.837 4 1 -3.39454131138152 1265880 CC1=C(C=CC=C1NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)C(=O)OC 1 1.693 2 7 0 -17.1667953611727 1265865 CC1=CC(=O)N2C(=N1)N=C(N2)COC3=CC=CC=C3 1 0.661 4 2 0 -4.82166716653625 1265862 COC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F 1 2.433 3 3 -5.94180966926603 1265861 C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=COC=C4 1 3.379 2 2 -8.91036521429859 1265808 CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)F)C3=CN=CC=C3 1 2.305 5 1 -12.142552151617 1265790 C1=CC=C(C=C1)CN2C3=C(C(=O)N=C(N3)C4=CC=CC=C4F)SC2=S 1 4.789 3 1 -5.52328610549612 1265789 CCC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 5.208 0 3 -5.55529835130428 1265764 CC(C)NS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)NCC2=CC3=C(C=C2)OCO3)Cl 1 2.526 2 6 0 -21.9344820173857 1265763 CCN1CCN(CC1)C2=NC=NC3=C2SC(=S)N3C4=CC=CC=C4 1 4.365 5 0 -1.13870882507971 1265761 CC1=CC=CC=C1CNC(=O)C2=CC=CC=C2N 1 2.361 2 1 -8.59336828770141 1265745 C1CCN(CC1)C2=NC(=NC(=N2)SCC(=O)N3CCC4=CC=CC=C43)N5CCCCC5 1 3.886 6 1 0 -12.8128919094313 1265739 CS(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)F)C3=CC(=C(C=C3)F)Cl 1 2.917 3 3 -7.82375658891675 1265734 CCOC1=C(C=C(C=C1)C(=S)N2CCOCC2)OCC 1 3.02 1 3 -11.703318303353 1265732 C1=CC=C(C=C1)C2=C(N(C(=S)N2)CC(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 5.167 2 1 -7.39666288962163 1265705 CC1=CC=C(C=C1)C2=NN=C(SC2)NC(=O)CSC3=NN=CN3C 1 2.587 6 1 0 -19.4145500760072 1265701 CCOC1=C(C=C(C=C1)C(=S)N2CCCC2)OCC 1 3.793 1 2 -9.78055333940933 1265697 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCC4 1 3.979 3 3 -22.578165819296 1265688 COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N)C2CCCCC2)Cl 1 2.307 2 4 -10.7303594409542 1265684 CC(C)(C)NC(=O)CSCC1=CC=C(C=C1)Br 1 3.118 1 1 -14.124147228079 1265683 CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C(=O)O)C)C=O 1 2.804 1 3 -6.00482298471274 1265655 CCCC1=CC(=O)N2C(=N1)N=C(N2)NCC3=C(C=CC=C3Cl)F 1 2.591 5 1 -5.89226488779839 1265650 CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 2.669 3 3 -16.6963051082138 1265644 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C4=CC=CC=C4N=C3C5=NON=C5N 1 2.602 7 2 0 -4.71550805913948 1265641 C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)NCC3=CC=CC=C3)N 1 2.988 4 2 -19.7349761397161 1265631 C1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)Br 1 3.883 3 0 7.19109326049947 1265627 CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3 1 4.052 2 3 -2.5122368202458 1265613 COC1=CC(=C(C=C1)NC(=O)COC2=NSN=C2N3CCOCC3)OC 1 1.087 4 5 0 -11.1305880443445 1265609 C1COCCN1CCN(CC2=CC(=CC=C2)Cl)C(=S)NC3=CC=CC=C3 1 5.122 3 1 -6.64565323871568 1265599 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)Br)Cl 1 4.147 3 1 0.457577278858155 1265597 CC1=C2C(=C3C(=NC2=NN1)N(C(=O)N(C3=O)C)C)OC(=O)C4=CC=CC=C4 1 1.918 5 4 0 -15.6358689290994 1265579 CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.477 3 4 0 -6.62619879456452 1265563 COC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2SC 1 3.147 1 2 -13.0707777672413 1265547 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=NC=C4 1 3.1 5 3 0 -12.3283504460768 1265528 CC(C)C(=O)NC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3 1 3.123 3 2 -11.1632402416181 1265494 CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=C(C=CC=C3Cl)F)CC(=O)OC 1 1.461 5 3 0 -12.5252445157431 1265472 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=CN2C 1 1.742 4 3 0 -27.2964397107323 1265466 CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SCC3=CC=CC(=C3)C(=O)O 1 4.54 2 3 -7.46217042245609 1265454 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.9 2 3 -10.8024137880782 1265434 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C(=O)NCC3=CC=CO3 1 1.983 2 4 0 -11.9199885080444 1265420 CN1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)OC 1 1.969 3 3 0 -6.37966457532932 1265417 CC(=O)NC1=C(N=NN1CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3OC 1 2.037 5 3 0 -19.8136003823706 1265416 C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)NC3=CC=CC=C3)NC(=O)C(F)(F)F 1 3.142 5 2 0 -16.0769417645107 1265414 COC1=CC=CC=C1NC(=O)C2=C(N(N=N2)CC3=CC=CC=C3)NC(=O)C(F)(F)F 1 3.125 5 3 0 -19.2370741138794 1265401 CC1=CC(=NC(=C1C(=O)NC(=O)NC2=CC(=CC=C2)OC)Cl)Cl 1 3.461 3 3 -3.67472843243001 1265375 CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3=CC=C(C=C3)OC)S(=O)(=O)C 1 2.382 2 4 -9.95938107634206 1265354 CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=CC(=CC=C3)[N+](=O)[O-])CC(=O)OC 1 0.486 6 5 0 -13.9669833724115 1265339 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC(=C(C(=C2)OC)OC)OC 1 2.429 1 6 0 -13.3174609962984 1265320 CCN1C2=CC=CC=C2N=C1C3=NON=C3NC(=O)C4=CC=CC=C4 1 3.382 5 2 0 -7.53714521474862 1265303 CC(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3 1 2.943 0 4 -1.19367815600728 1265302 C1=CC(=CC(=C1)Br)C2=NN=C(O2)SC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-] 1 4.061 3 5 0 -3.09894972933983 1265297 C1OC2=C(O1)C=C(C(=C2)CN3C4=CC=CC=C4N=C3C5=CN=CS5)Br 1 4.323 3 2 -3.09728736804249 1265289 C1CCC(C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.477 3 3 -10.2448887071811 1265276 CC1=CC(=C(C=C1S(=O)(=O)N2CCCC2)C(C)C)OC 1 3.072 1 3 -8.01119368416281 1265264 CC1=CC(=CC=C1)N(CC(=O)NC2CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.223 2 3 -13.5522068846816 1265263 C1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(O3)C4=CC=C(C=C4)Cl 1 4.043 4 2 0.589759429803734 1265255 CNC(=S)N1CCN(CC1)C2=CC(=C(C=C2)Cl)Cl 1 4.151 3 0 -3.94861451435992 1265180 CCCN1C2=C(N=C1SCC(=O)NC3CCCC3)N(C(=O)N(C2=O)C)C 1 2.317 5 3 0 -25.1496841336634 1265172 COC1=C(C=C(C=C1)CNC2=NC3=NC(=CC(=O)N3N2)C4=CC=CC=C4)OC 1 2.589 5 3 0 -5.95226250307042 1265151 CCOC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC 1 1.974 2 5 0 -16.7613749397836 1265137 C1=CC(=C(C=C1Br)F)NC(=O)CSC2=NNC(=N2)N 1 2.038 5 1 -6.04294363791342 1265108 CC(=C)CNC(=S)NC1=CC=CC(=N1)N 1 2.756 4 0 -7.44632985001298 1265083 C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC4=NC(=NN4C(=C3)C(F)(F)F)N 1 4.899 5 1 -2.35324468938366 1265073 COC(=O)C1=CC=CC=C1NC(=O)CNC(=O)C2=CC=CO2 1 0.925 2 5 0 -17.7037730430951 1265062 COC1=CC(=C(C=C1)OC)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O 1 3.487 2 5 0 -15.3487809908867 1265057 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CN=CC=C4 1 2.123 4 3 0 -17.4887753111256 1265039 CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N=C1CN4CCOCC4 1 2.02 5 5 0 -5.96372739794409 1265021 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CCCCC3 1 3.424 2 4 -20.7327425535245 1265018 COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=O)N(C3=O)C4=CC(=CC=C4)Cl 1 3.436 3 3 4.84674192782356 1265015 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3)Cl 1 3.343 2 3 -5.21753552683238 1265012 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)O 1 3.643 2 3 -3.0455660138915 1264964 CC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 2.165 4 2 -3.94053929114821 1264962 CC1=CSC(=N1)NC(=O)CS(=O)(=O)C2=CC=CC=C2 1 1.272 2 3 0 -10.4482657343311 1264955 CC1=C(C(=O)N2C(=N1)N=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4 1 2.761 4 1 -6.12071634139553 1264947 CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3 1 1.451 6 3 0 -18.0201445541347 1264941 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=CC=C4 1 2.115 5 3 0 -14.8331413991795 1264934 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N(C)C)C3=NC=CN=C3 1 1.334 7 1 0 -16.1780314171329 1264922 CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC=C(C=C4)C(=O)O 1 5.411 2 2 -6.74983954548777 1264905 CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)NC(=O)C)OC)C3=CC=NC=C3 1 1.347 6 3 0 -17.3754680525018 1264904 CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)NC(=O)C)OC)C3=CN=CC=C3 1 1.347 6 3 0 -18.8379260774158 1264902 CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)NC(=O)C)OC)C3=CC=CC=N3 1 1.775 6 3 0 -18.1787271081902 1264900 CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)Cl)OC)C3=CC=CO3 1 3.923 4 3 0 -13.4334293096705 1264840 C1CN(CCN1CCO)C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4 1 3.564 4 1 15.4875270371703 1264813 CC1=CC2=C(C=C1)N=C(C=C2C3=CC=CC=C3)C4=CC=C(C=C4)NS(=O)(=O)C 1 4.878 2 2 3.11316201191387 1264791 CC(C)(C)NC(=O)NC1=CC=CC=C1C(=O)N 1 0.879 3 2 0 -12.7908213354612 1264790 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2C(=O)NNC3=O 1 0.529 3 4 0 -6.57635564425991 1264779 CC1=CC2=C(C=C1)N=C(C=C2C3=CC=CC=C3)C4=CC=NC=C4 1 4.817 2 0 7.11510276210907 1264627 CCOC(=O)C1=C(NC(=C1C)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C 1 1.669 5 4 0 -14.9940903318691 1264604 COC1=C(C=C(C=C1)CCNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OC 1 2.712 3 5 0 -12.2388804027047 1264593 COC1=CC=CC(=C1)C2=NC(=S)C3=C(N2CC4=CC=CO4)CCCC3 1 4.339 2 2 -7.16522850766881 1264577 CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)N 1 2.662 4 1 -6.20742457585275 1264561 CN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=CC=C4OC 1 3.684 5 1 -7.57771825854529 1264532 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5 1 3.238 5 3 0 -14.8794445460373 1264530 C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CN=CC=C4 1 4.296 5 0 -9.08312339836733 1264528 CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)C3=CC=NC=C3 1 3.348 4 1 -5.95747641696788 1264499 C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)COC4=CC=CC=C4 1 5.282 4 1 -11.682652479269 1264486 CN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)COC4=CC=CC=C4 1 3.535 5 1 -8.92223713456911 1264470 CCN1C(=NN=C1SCC(=O)OC(C)C)C2=CC(=CC=C2)Cl 1 3.855 3 2 -9.20592968890729 1264460 CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC(=CC=C3)Cl 1 4.883 4 0 -4.67219787194144 1264456 CC(C)(C)C1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C=O 1 4.105 2 1 3.77081040684418 1264425 CC1=CC(=O)N2C(=N1)N=C(N2)NCC3=CC=CC=C3OC 1 0.725 5 2 0 -6.09011329106882 1264396 CN(C1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=CC=C3)S(=O)(=O)C 1 2.883 3 5 0 -9.94420608243657 1264393 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)OC 1 2.961 2 4 -19.0003925768907 1264386 COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4 1 4.39 3 3 -6.84954928242607 1264378 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3 1 1.919 5 3 0 -8.99616933376929 1264376 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 2.356 2 6 0 -12.8224695938971 1264360 CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2OC)OC 1 2.036 2 5 0 -13.4223719899834 1264349 C1CCC(CC1)NC(=O)CS(=O)(=O)C2=CC=CC=C2 1 2.274 1 3 -12.3331458964001 1264336 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=CC=C4 1 4.086 3 2 -8.87156513713478 1264335 CC1=C(C=CC(=C1)S(=O)(=O)NC2CCCCC2)OCC(=O)NCC3=CN=CC=C3 1 2.561 3 4 0 -17.9012881401624 1264297 CC1=C(C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)CCNC(=C4C(=O)CC(CC4=O)C5=CC=CC=C5)C 1 5.419 2 3 -7.94915163122471 1264285 C1COCCN1C2=NSN=C2OCC(=O)NC3=CC=C(C=C3)Br 1 1.869 4 3 0 -6.26761374331313 1264254 CC1=CC(=O)N2C(=N1)N=C(N2)NCC3=C(C=CC=C3Cl)F 1 1.611 5 1 0 -5.99070193830835 1264244 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=C(C=C3)Br 1 2.915 6 3 0 -20.6392882178853 1264241 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CO2 1 1.516 3 4 0 -13.6411050804062 1264233 C1CN(CCC1CC2=CC=CC=C2)CCCN3C(=O)C4=CC=CC=C4NC3=S 1 5 3 1 -0.998121336894451 1264206 CCCC(=O)C1=C(CCCC1=O)NCCC2=C(NC3=C2C=C(C=C3)C)C 1 4.034 2 2 -7.78205507150313 1264204 CCCC(=O)C1=C(CCCC1=O)NCCC2=C(NC3=C2C=C(C=C3)OC)C 1 3.532 2 3 -8.66622909514846 1264203 CCOC1=CC=C(C=C1)N(CC(=O)N)S(=O)(=O)C2=CC=C(C=C2)F 1 1.915 2 4 0 -9.04045182903188 1264185 CC1=C(C=CC(=C1)S(=O)(=O)NCC(C)C)OCC(=O)NC2CC2 1 1.952 2 4 0 -14.3854957590573 1264178 CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.909 2 2 -5.35968619928217 1264140 CC(C)N1C2=CC=CC=C2N=C1NN3C=NN=C3 1 1.35 6 0 0 -3.44457453526062 1264139 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NNC(=N3)N 1 1.343 6 1 0 -5.01696761830575 1264134 CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)CN3N=C(N=N3)C4=CC=CC=C4 1 5.196 7 0 0 -6.10137885027313 1264129 CC1=C(C2=C(N1)C=CC(=C2)OC(F)(F)F)CCNC(=C3C(=O)CC(CC3=O)C4=CC=CC=C4)C 1 5.972 2 3 -4.62008013485461 1264125 CC1=CC2=C(C=C1)NC(=C2CCNC(=C3C(=O)CC(CC3=O)C4=CC=CC=C4)C)C 1 4.338 2 2 -6.01486506752015 1264121 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3N=C(N=N3)C4=CC=CC=C4 1 2.605 6 1 0 -1.49987913105866 1264115 C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C4=CC=CO4 1 3.521 5 2 0 -10.4661564367282 1264114 CC(=O)NC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=CC=C2F 1 1.654 2 4 0 -14.2685792915492 1264083 CSC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 3.031 2 2 -15.6805938482185 1264081 COC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C4=COC=C4 1 3.363 2 3 -10.1065084521573 1264062 COC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)Br 1 3.219 2 3 -11.8105081130052 1264047 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCOCC3)C)C 1 2.878 2 4 -11.5422383072647 1264043 C1=CC(=CC=C1NC(=O)CSC2=NN=NN2CC(=O)O)OC(F)(F)F 1 2.461 5 4 0 -22.1158455938707 1264038 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)N4C=NN=C4)Cl)C#N 1 3.474 5 1 -15.2827328586087 1264022 COC(=O)C1=CC=CC=C1NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O 1 3.375 2 5 0 -19.892223005437 1264019 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)OC 1 3.611 2 3 -1.48826041443984 1264017 COC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 1.907 3 5 0 -8.75100617810739 1264009 C1CN(CCN1C2=NC(=CS2)C3=CC=CC=C3)C(=O)C4=C(C=CC(=C4)N5C=NN=C5)Cl 1 3.008 6 1 0 1.89548543299186 1264008 COC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.576 3 3 0.515770127667585 1263982 CC1=CC=CN2C1=NC(=C2)CSC3=CC=CC=C3N 1 2.65 3 0 -4.36116839447708 1263943 C1CN(C2=CC=CC=C21)C(=O)CSC3=NC(=CS3)C4=CC=CC=C4 1 4.232 2 1 -12.7712855004643 1263934 CCN(CC(=O)NC1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.878 2 3 -16.1145191674206 1263933 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=COC=C3)C4=CC=CC=C4Cl 1 4.044 2 2 -7.15946943586339 1263930 C1COCCN1C(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CN=C3)Br 1 1.314 3 3 0 -10.1018747342449 1263915 CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C)C 1 3.32 2 3 -16.8307016491235 1263914 COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=CC=C2C(=O)OC)OC 1 1.497 2 6 0 -22.5918138921967 1263897 C1CCC(CC1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br 1 5.612 3 0 -6.95446816098327 1263894 CSC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.797 2 4 -10.1736750995358 1263893 C1CCC(CC1)N2CCN3C(=NC4=C3C=CC(=C4)[N+](=O)[O-])C2 1 3.389 4 2 -0.700361796525295 1263850 CC(=O)C1=CC2=C(C=C1NC(=O)NC3=CC(=CC=C3)Cl)OCCO2 1 2.712 2 4 -8.0852227749769 1263837 CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2CCCC2 1 4.104 2 2 -5.75368203419333 1263829 CCOC1=C(C=C(C=C1)CC(=O)C2C(=O)CC(CC2=O)(C)C)OCC 1 2.841 0 5 -9.98366981945658 1263822 C1CCC2=C(SC=C2C1)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 2.793 2 3 -12.7203496353399 1263816 CC(=O)NC1=CC=C(C=C1)NC2=C3C4=CC=CC=C4C(=O)C5=C3C(=CC=C5)N(C2=O)C 1 2.721 3 3 -3.55912147055636 1263795 CC1=CC(=NO1)NC(=O)NC(C(F)(F)F)C(F)(F)F 1 2.128 3 2 -17.2780897299391 1263771 C1=CSC(=C1)C2=CC(=NC(=N2)NC(=O)NC(=O)C3=CC=C(C=C3)F)C(F)(F)F 1 4.613 4 2 -2.41110901895217 1263758 CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NNC(=C3)C(=O)OC 1 3.022 4 2 -2.42630218460665 1263733 CC1=CC(=NO1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3OC 1 1.559 6 3 0 -31.1969731690696 1263727 CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC)C 1 2.266 3 4 0 -16.3525435207641 1263726 COC1=CC=CC(=C1)N2C(=NC3=CC=CC=C3C2=O)C4=COC=C4 1 3.363 2 3 -8.30455435685547 1263723 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)N 1 0.27 2 4 0 -6.63727821926759 1263687 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C(=CC=C3)C)NC2=O)C4=CC=CC=C4 1 4.462 2 3 -9.42883859713845 1263683 COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=CC(=C2)C(=O)O)OC 1 2.242 1 6 0 -12.0718700887729 1263672 CC1=NC(=C(N1CC(=O)OC)Br)[N+](=O)[O-] 1 0.892 3 4 0 -6.32588552148036 1263653 C1CN(CCN1CC2=CC(=C3C=CC=NC3=C2O)Cl)C4=CC=C(C=C4)F 1 4.347 3 1 9.328156481555 1263648 C1=CC(=CC(=C1)CN2C=CC=N2)C(=O)O 1 1.693 2 2 0 -7.44813460873227 1263646 CC1=CC2=NC3=C(CCN3C4=CC=CC=C4)C=C2C=C1 1 4.872 2 0 2.95453195866467 1263645 CC1=NN(C(=C1C2=CC=CC=C2)N)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.129 4 2 -0.378665164464754 1263630 CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C4=COC=C4 1 3.866 2 2 -9.35912920648131 1263622 CC1=NC(=C(N1C)C(=O)O)[N+](=O)[O-] 1 0.538 3 4 0 -2.87919673797122 1263621 CC1=NOC(=C1C(=O)NC2=CC=C(C=C2)F)N 1 0.934 3 2 0 -5.98952689141068 1263614 CC1=CSC(=N1)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 0.978 5 2 0 -12.2125805913038 1263609 CC(C)N1C(=C(C=N1)C(=O)N)N 1 -0.414 4 1 0 -5.65726746071092 1263600 CC1=NOC(=C1C(=O)NC2=CC=CC=C2F)N 1 0.934 3 2 0 -7.86594526911216 1263596 C1=CC=C2C(=C1)NC(=O)C3=C(O2)C=C(C=C3)[N+](=O)[O-] 1 2.239 2 4 -6.97774896849171 1263593 CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CN3CCCCC3 1 2.629 4 2 2.94493353984908 1263586 C1=CC(=CC(=C1)NC(=O)C2=C(NN=C2)N)C(F)(F)F 1 1.378 4 1 0 -0.239345175556452 1263575 CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)OCC 1 2.5 6 4 0 -21.7435706532661 1263574 CCOC(=O)C1=C(C2=CC3=C(N2C1=O)CCCC3)N4CCCCC4 1 3.742 2 3 -8.62471941702627 1263570 C1CCN(CC1)C2=C(C(=O)N3C2=CC4=C3CCCC4)C#N 1 3.417 3 1 -5.22186122752939 1263562 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=C3 1 3.001 2 4 -18.0601051545703 1263560 C1CCN(CC1)C2=NC(=NC(=N2)SCC(=O)C3=CC=CC=C3)N4CCCCC4 1 4.225 5 1 -4.04726027916882 1263556 CN1C(=NN=N1)SCC2=NC(=NC(=N2)N(C)C)N 1 -0.352 9 0 0 -15.3311661539471 1263550 C1=CC=C(C=C1)CN2C(=NN=N2)SCC(=O)NC3=CC=CC=C3 1 2.443 5 1 -23.70393163101 1263514 C1COC2=C(O1)C=C(C(=C2)N)C(=O)C3=CC=C(C=C3)Cl 1 2.937 1 3 -0.960204693250104 1263508 COC1=CC(=C(C=C1N2C(=NN=N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)OC)Cl 1 3.532 6 3 0 -18.8858307293173 1263503 CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)F)NCCN3CCOCC3)C 1 2.997 3 2 -11.6276233609313 1263493 CC1=CC2=CC(=C(N=C2C=C1)OC)C3=NOC(=N3)C4=CN=CC=C4 1 3.189 4 2 3.36528403536314 1263478 C1CCC(CC1)N2C(=O)C3=C(C2=O)C=NC=C3 1 1.57 2 2 0 -8.54667688752163 1263476 COC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=NC=C3 1 1.271 2 3 0 -6.07030103627642 1263456 CC1=C(C(=O)N(N=C1C(=O)NN)C2=CC=C(C=C2)F)C#N 1 0.703 5 2 0 -5.25752711454107 1263454 CC1=C(C=C(C=C1)N2C(=O)C(=C(C(=N2)C(=O)NN)C)C#N)Cl 1 1.648 5 2 0 -6.90230655070207 1263400 COC1=CC=C(C=C1)N2C(=NN=N2)S(=O)(=O)CC(=O)N3CCCCC3 1 0.951 5 4 0 -16.7218288941667 1263398 CCOC1=C(C=CC(=C1)C=O)OCC(=O)N2CCCC2 1 1.632 1 4 0 -14.1708427045469 1263396 CC1=C(SC=N1)CCSC2=NNC(=O)N2C3=CC=CC=C3 1 2.841 4 1 -17.6091474747775 1263394 CC1=NC2=C(C(=N1)N(C)C)SC(=S)N2C3=CC=CC=C3 1 4.014 4 0 -8.98948704648511 1263391 C1=CC=C(C=C1)CCNC(=O)C2=NON=C2N 1 0.968 4 2 0 -13.6952121807312 1263381 CC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)Cl 1 5.003 2 3 -13.7813361217487 1263369 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)NC2CCCCC2 1 2.311 4 3 0 -17.9310778088394 1263366 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC3 1 2.499 2 4 -14.7679114673334 1263357 C1=CC=C(C=C1)CCC2=NC3=NC(=CC(=O)N3N2)C4=CC=CC=C4 1 3.198 4 1 -2.39288949244139 1263354 COC1=CC=C(C=C1)NC(=O)CN2C(=S)N3CCCC3=N2 1 1.518 4 2 0 -11.2485497262302 1263335 CC1=CC(=C(S1)C)S(=O)(=O)NC2=CC=C(C=C2)N(C)C 1 2.432 2 2 -4.48115961243827 1263334 CCCC1=CC(=O)N2C(=N1)N=C(N2)NCC3=CC(=C(C=C3)OC)OC 1 1.688 5 3 0 -8.79043508916232 1263333 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCC4=CC=CC=C4 1 2.535 3 4 0 -20.5611017756366 1263332 CC1=CC(=C(S1)C)S(=O)(=O)NC2=CC(=CC=C2)OC 1 2.254 1 3 -2.03618560247159 1263331 CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.204 2 5 0 -19.4091638802659 1263325 CC1=CC=C(C=C1)C(=O)CN(C(=O)C2=CC=C(C=C2)Cl)N3C(=O)C4=CC=CC=C4C3=O 1 4.308 2 4 -2.22827285008092 1263322 CC(C)OC1=NN=NN1C2=CC=CC=C2 1 1.968 4 1 0 -7.92230846575641 1263321 C1=CC=C(C=C1)C2=CSC(=N2)SCC(=O)NCC3=CC=CO3 1 3.141 2 2 -14.52905410435 1263320 CC1=CC(=C(C=C1)C)N2C(=C(C(=NC2=S)N3CCOCC3)C(=O)C)C 1 3.62 3 2 -7.3284947158756 1263319 CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C 1 3.796 2 4 -2.6811737647695 1263317 CC1(CC(=C(C(=O)C1)C(=O)CCC(=O)OC)NC2=CC=CC=C2OC)C 1 2.448 1 5 -18.176042307571 1263311 CN1C2=CC=CC3=C2C(=C(C1=O)NC4=CC=C(C=C4)O)C5=CC=CC=C5C3=O 1 3.358 2 3 2.8963495695381 1263310 C1=CC=NC(=C1)NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 1.813 5 1 0 -0.71151814279946 1263308 C1OC2=C(O1)C=C(C=C2)N3C(=NN=N3)SCC(=O)NCC4=CC=CS4 1 1.951 5 3 0 -27.5819463059938 1263285 COC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)OC 1 3.52 3 3 -3.79198858327768 1263282 CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC(=CC=C2)Cl)C3=CC=CC=C3 1 3.872 5 4 0 -1.43806234533873 1263280 CC1=C(C=CO1)C(=O)N2C(=C(C(=N2)C)C3=CC=CC=C3)N 1 2.356 3 2 -2.4278519927138 1263277 CC1=NN(C(=C1C2=CC=CC=C2)N)C(=O)C3=CC=CS3 1 3.06 3 1 -4.10703048107352 1263272 CCOC1=C(C=C(C(=C1)C#N)NC(=O)C2=CC=NN2C)OCC 1 2.099 4 3 0 -16.0055706568964 1263263 CC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SC 1 3.09 2 2 -20.209261859272 1263260 CC1=CC=CC2=NC(=CN12)CNC3=CC=C(C=C3)F 1 2.665 3 0 -0.316001665845901 1263252 COC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.784 0 3 -5.79848646329952 1263245 CN1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=CC=C(C=C3)Br 1 3.317 3 2 -1.96656320400121 1263223 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 1.265 2 4 0 -10.2552535420961 1263199 CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2CCCC2 1 2.892 3 2 -7.76441041009441 1263197 C1CCC(CC1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)Cl 1 5.528 3 0 -5.49780841588183 1263196 CC1=CSC(=N1)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 0.978 5 2 0 -14.525699421923 1263189 CC1=CC(=CC(=C1O)C)NS(=O)(=O)C2=C(SC(=C2)C)C 1 3.001 1 3 -3.35956664232267 1263172 C1=CC=C(C=C1)CCNC(=O)CC2=NC=NN2 1 1.144 4 1 0 -12.2503741811542 1263164 CCOC1=C(C=CC(=C1)Br)S(=O)(=O)NCC2=CC=CC=C2 1 3.405 1 3 -2.54158956832755 1263144 COC1=NC=C(C=C1)NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)OC 1 2.581 2 4 -5.95552343745908 1263121 CC1=CC(=C(C=C1OC)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C 1 3.211 2 5 0 -8.46811471613959 1263108 CC1=CC(=C(S1)C)S(=O)(=O)NC2=CN=CC=C2 1 1.12 2 2 0 -3.70286999772054 1263107 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)C)OCCO3 1 2.329 1 5 -9.21248933505313 1263106 CC1=CC(=C(S1)C)S(=O)(=O)NC2=CC(=CC=C2)O 1 2.028 1 3 0.551838046466526 1263105 CCN(CC)C1=CC=C(C=C1)C(=S)NC2CCCCC2 1 4.849 2 0 -7.12161749029043 1263104 CC1=CC(=C(S1)C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.734 2 2 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3.237 2 4 -10.5075269756515 1261086 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3)Cl 1 3.829 2 3 -8.43077899452127 1261069 CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)Cl 1 4.634 3 2 -6.57121650543693 1261055 COC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=CC=CC(=C3)C(=O)O)OC 1 3.393 2 5 0 -11.1983976140485 1261048 CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)Cl 1 2.847 3 3 -15.3791976638561 1261030 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CCC(CC3)C(=O)N 1 1.662 2 4 0 -13.2212857263012 1261022 C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(F)(F)F 1 5.582 3 3 -3.52144827745989 1261009 CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=C(C=C2)OCC(=O)O)C)C 1 3.727 1 5 -6.55012412618363 1260996 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=C(C=C2)OCC(=O)O 1 1.749 1 7 0 -9.15166048788875 1260993 CC1=C(C=C(C=C1)OC)S(=O)(=O)NC2=CC=C(C=C2)OCC(=O)O 1 2.252 1 6 0 -8.42922641253469 1260980 CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCCCC3 1 2.97 2 4 -10.2837698448063 1260943 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)Cl)OC)Cl 1 2.468 2 5 0 -16.8360883478985 1260938 CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)N2CCN(CC2)C(=O)OCC 1 1.82 2 6 0 -17.2251551446555 1260937 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CCN(CC3)C(=O)OCC 1 2.396 2 5 0 -16.3168305195267 1260931 CCOC1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 4.097 2 4 -10.112141853043 1260927 CC(C)C(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCCC4=CC=CC=C43 1 4.571 2 2 -13.7091198046969 1260923 CCOC1=NC(=NC(=N1)NC(=O)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.504 5 3 0 -1.89133583306974 1260920 CC1=CC(=CC(=C1)NC(=O)CN(C2=CC=CC(=C2)C(=O)C)S(=O)(=O)C)C 1 2.295 2 4 -16.4313749772253 1260914 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CO3 1 3.098 2 5 0 -13.8483850944888 1260870 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CN=CC=C3 1 2.766 3 4 0 -14.2177878203555 1260836 C1CCN(CC1)C2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)N 1 0.898 3 3 0 -17.9433364242517 1260746 CCOC1=NC(=NC(=N1)N2CCCCC2)N3C=C(N=N3)C4=CC=CC=C4 1 4.006 7 1 0 2.6559954101788 1260744 CCNC(=S)NNC1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3 1 3.5e-002 8 2 0 -6.70124265015105 1260743 CCOC(=O)C1=C(N=NN1C2=NC(=NC(=N2)OC)N3CCOCC3)C4=CC=CC=C4 1 2.923 7 4 0 -6.4520580667831 1260737 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C(=O)N)N3CCCCC3 1 0.882 3 4 0 -17.4602929941597 1260725 CC1=NC=C(N1CC(=O)NC2=CC=C(C=C2)OC(F)(F)Cl)[N+](=O)[O-] 1 3.245 4 4 0 -10.0269674925974 1260724 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=N3 1 2.981 3 4 0 -13.899652013394 1260713 CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCOCC3)C)C 1 2.878 2 4 -10.636771543859 1260692 CS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC(=CC(=C2)Cl)Cl 1 2.854 2 3 -8.74859400331449 1260661 COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3CCCCC3 1 3.926 4 2 -17.8874042159466 1260588 C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.063 2 4 -12.6134919749198 1260556 CSC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4 1 5.565 2 1 -6.94405697474068 1260384 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2(CCOCC2)C3=CC=CC=C3 1 2.634 2 5 0 -14.3681594679136 1260326 COC1=C(C=C(C=C1)C2=CSC(=NC3=CC=CC=N3)N2CC=C)OC 1 3.56 3 2 -6.80723901773731 1260284 C=CCN1C(=NN=C1SCC2=CC3=NON=C3C=C2)C4=CC=CS4 1 4.131 5 1 -12.4286821060607 1260312 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.8 2 3 -18.6392345605271 1260301 COC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)Cl 1 3.429 2 3 -12.4121195143295 1260127 C1CCC(CC1)C2=NC(C3=C(N2)N(C(=O)NC3=O)C4=CC=CC=C4)(C(F)(F)F)C(F)(F)F 1 4.572 4 2 -0.168644125486951 1260122 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)C3=CC(=C(C=C3)C)C 1 4.982 3 6 0 -17.5985096526776 1260121 CC1=C(C=CC(=C1C)Br)NC(=O)COC2=CC=CC=C2C(=O)N 1 3.172 2 3 -7.58836423358884 1260116 COC1=CC=CC=C1NC(=O)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 3.218 2 4 -12.069504556342 1260112 CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3)Cl 1 4.385 2 3 -8.35003235921087 1260111 CC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 2.974 2 4 -12.3883666793589 1260107 C1CCN(C1)C(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=O 1 2.399 1 3 -7.4089138919722 1260102 C1CN(C2=CC=CC=C21)C(=O)CSC3=NC(=NC(=N3)NC4=CC=CC=C4)N5CCOCC5 1 3.11 6 2 0 -14.82496837741 1260101 C1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)C3=CC=C(C=C3)Br)O 1 4.68 2 3 -8.96040612930617 1260099 CC1=CC(=C2C(=C1)C(=CC(N2C(=O)CSC3=NN=C(S3)N)(C)C)C)C 1 3.705 4 1 -13.2978615686829 1260097 C1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=NC=C(C=C3)Br)O 1 3.449 4 3 0 -17.1129789636482 1260091 CCN(CC)C1=CC=C(C=C1)C=C2C(=O)OC(OC2=O)C3=CC=CC=C3 1 4.43 1 4 -0.601926922135033 1260077 CCOC1=CC=CC(=C1)C2=CC(=O)NN2 1 0.797 2 2 0 -1.16451429956397 1260067 CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CC4=CC=CC=C4 1 3.397 6 1 0 -24.8755617082269 1260066 CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4 1 3.39 6 1 0 -21.44775530444 1260064 COC1=CC=CC(=C1OC)C2=NNC(=S)N2CC=C 1 2.685 3 2 -7.56698302688495 1260057 CC1=CC=C(C=C1)NCC2=NC3=CC=CC=C3N2CCOC4=CC=CC=C4 1 5.255 3 1 -1.81593255839869 1260055 C1=CC=C2C(=C1)N=C(N2CCOC3=CC=CC=C3Cl)CNC4=CC=C(C=C4)C(=O)O 1 5.063 3 3 -4.93027853799596 1259994 COC1=CC(=CC(=C1OC)OC)NC(=O)CS(=O)(=O)C2=CC=CC=C2 1 1.943 1 6 0 -14.2134706355346 1260000 CCOC(=O)CSC1=NN=NN1C2=CC=CC3=CC=CC=C32 1 2.764 4 2 -20.3733026608947 1260008 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NC3=NN(N=C3C(=O)N)C4=CC=CC=C4 1 1.688 9 2 0 -4.39761535998956 1260040 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC=CC=C3 1 2.346 4 2 -15.0947157039308 1260039 CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl 1 3.918 3 3 -3.17298789158879 1260036 C1=CC=C(C=C1)NC(=S)NC2=NC3=CC=CC=C3N2CCOC4=CC=C(C=C4)Br 1 6.538 4 1 -6.94758005870725 1260033 C1=CC=C(C=C1)NC(=S)NC2=NC3=CC=CC=C3N2CCOC4=CC=C(C=C4)Cl 1 6.454 4 1 -5.49092031360581 1259985 COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NN=NN2C3=CC=CC=C3 1 2.387 5 4 0 -25.5888609670712 1259980 COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 1.649 4 5 0 -15.9777854925073 1259978 C1=CC=NC(=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.131 5 4 0 -12.1607330236944 1259977 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=CC=CC=N2 1 2.107 2 5 0 -18.2275691789162 1259970 CN1C=NN=C1SCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC 1 1.07 4 4 0 -23.1192157972586 1259968 CC1=NN=C(S1)SCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC 1 1.693 3 4 0 -21.608133365131 1259963 C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)F 1 3.089 3 2 -17.2533294968433 1259960 CC1=CC(=NO1)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3OC 1 1.971 4 4 0 -23.5463323452819 1259954 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 3.524 3 6 0 -15.4429655406359 1259914 CN(CC(=O)NC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 1.318 2 7 0 -13.511724770752 1259918 CN(CC(=O)N1CCCCC1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 1.097 2 5 0 -11.3060200248942 1259944 CN1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 0.818 3 4 0 -10.9939229876086 1259942 CN(CC(=O)N1CCOCC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 0.548 2 5 0 -15.3192558122529 1259940 CN(CC(=O)N1CCCCC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 1.777 2 4 0 -13.7509593624773 1259901 CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)N3CCOCC3)OC 1 1.953 2 5 0 -17.1521464908932 1259900 C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=C(O3)Br)F 1 3.313 2 2 5.42374034047013 1259898 C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=C(O3)Br)Cl 1 3.772 2 2 7.05765267991652 1259879 CCOC1=C(C(=CC(=C1)C(=O)N)Br)OCC2=CC=CC=C2 1 3.48 1 3 -6.24961928640423 1259864 CC1=C(C=C(C=C1)NC(=O)CCN2C=NC3=CC=CC=C3C2=O)Cl 1 2.991 3 2 -6.81180871386994 1259859 C1=COC(=C1)CN(C2=CC=C(C=C2)O)C(=O)C3=CC(=C(C=C3)Cl)Cl 1 4.672 1 3 -1.69510677409836 1259858 C1=COC(=C1)CN(C2=CC=C(C=C2)O)C(=O)C3=CC=CO3 1 2.739 1 4 -3.98497018476501 1259851 CC1=C(C(=CC=C1)C)NC(=O)CCN2C=NC3=CC=CC=C3C2=O 1 2.813 3 2 -9.56058587558413 1259847 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=NC4=CC=CC=C4C3=O 1 1.17 4 4 0 -23.6404697439077 1259843 CC1=C(N=C(S1)NC(=O)CN2C3=CC=CC=C3OC2=O)C4=CC=C(C=C4)Cl 1 3.936 3 3 -2.9941778486709 1259833 C1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CN3C4=CC=CC=C4OC3=O)C5=CC=CC=C5 1 4.617 3 4 0 -3.48649484721301 1259832 CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N3C=NN=N3 1 1.541 5 4 0 -20.7206854309303 1259830 COC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N4CCCC4 1 4.045 5 3 0 -2.30548682518822 1259827 CC(C)(C)NC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)F 1 3.933 5 2 0 -9.56004237918971 1259822 COC(=O)C1=CC=CC=C1NC(=O)CN2N=C(N=N2)C3=CC4=C(C=C3)OCO4 1 1.765 5 5 0 -10.0144969968468 1259818 C1CCN(C1)C2=NC(=NC(=N2)OC3=CC=CC=C3F)NC4=CC=C(C=C4)F 1 4.396 5 1 2.2516640017741 1259816 COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F 1 2.6 3 3 -5.06916135005533 1259811 CN1C(=NN=C1SCC2=CC=CC=C2Cl)CN3N=C(N=N3)C4=CC=CC=C4 1 4.183 7 0 0 -7.96628433624674 1259807 COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.189 2 6 0 -8.12530480615922 1259806 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(SC=C3)C(=O)OC 1 0.345 5 5 0 -24.4416779012296 1259796 CCOC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C3=CN(N=C3C)C 1 2.557 5 2 0 -12.3009925382286 1259795 C1=C2N=CC(=CN2N=C1C(=O)O)CCO 1 -0.122 3 3 0 -3.21031049847522 1259791 CC1=NC=CN1C(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=C(C=C4)OC 1 2.717 5 2 0 -4.77091473576637 1259789 COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=CC=C(C=C4)C(=O)N5CCOCC5 1 2.801 5 4 0 -13.7801820296162 1259788 COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCSCC4 1 2.761 4 2 -8.25102310099778 1259767 C1CC2=CC=CC=C2N(C1)C(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5 1 4.453 4 1 -10.7870384285272 1259765 C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NCC4=CC=CO4 1 2.905 4 2 -12.6877812695097 1259762 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4OC 1 2.762 6 4 0 -13.2084130622428 1259751 CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C3=NN(C=C3Cl)C 1 3.767 5 1 -6.15507285915232 1259736 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.175 3 3 -20.4454196345728 1259714 C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)NC3=CC=CC=C3 1 2.111 3 2 -15.1456958836666 1259711 CC1=CC=C(C=C1)OCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.277 3 3 -17.0954990380896 1259709 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=CC=C(C=C3)N4CCCC4=O 1 3.414 3 3 -21.5568381907578 1259641 CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)NC(=O)CN3C=CC=C(C3=O)[N+](=O)[O-] 1 2.22 4 5 0 -17.8599371826014 1259630 COC1=NC(=NC(=N1)NC2=CC=C(C=C2)O)OC(C(F)(F)F)C(F)(F)F 1 4.19 4 3 0 -4.96984612682165 1259618 COC1=C(C=CC(=C1)/C=C(/C#N)\C2=CC=CC=C2F)OCC3=CC=CC=C3 1 5.411 1 2 -10.8860506194303 1259590 CCOC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CS2)Cl 1 3.061 1 3 -8.95580081444125 1259574 CC1=CC(=C(C=C1)C)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C 1 3.416 4 3 0 -11.346029650849 1259573 COC1=C(C=C(C=C1)CCN2C(=CC(=O)NC2=S)N)OC 1 2.27 3 3 -8.37997141580065 1259546 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NCC4=CC=CO4 1 3.391 4 2 -12.1158706266698 1259542 CCOC(=O)C1=CC=C(C=C1)C2=NN=C(O2)C3=C(C=C(C=C3)Cl)Cl 1 4.587 2 3 1.06881592306572 1259540 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C 1 3.509 3 3 -6.36119499473096 1259536 C1OC2=C(O1)C=C(C=C2)C3=NC4=CC(=NN4C(=C3)C(F)(F)F)C(=O)NCC5=CN=CC=C5 1 3.258 5 3 0 -16.7599082114601 1259535 CCC1=NC2=C(C(=N1)OCC3=CC=CO3)SC4=NC5=C(COC(C5)(C)C)C=C24 1 4.103 3 3 -14.6583835557442 1259512 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 2.743 3 4 0 -19.7358899541639 1259495 C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)Cl)C(=O)C4=CC=CO4 1 2.567 4 3 0 -5.31327317817012 1259482 CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2 1 4.348 3 3 -17.4697029562879 1259476 CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 3.183 1 4 -11.2120987061366 1259463 C1=CC=C(C=C1)N2C(=O)C3=C(N2)NC(=CC3=O)CSC4=NN=NN4C5=CC=CC=C5 1 2.02 7 2 0 -19.2558131831424 1259460 COC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=C(C=C3)Cl 1 2.876 6 3 0 -18.6279527323936 1259459 CC1=CC=CC(=C1)C2=NOC(=N2)CC3=CC=C(C=C3)Cl 1 4.33 2 1 8.65360031576709 1259451 COC1=C(C=C(C=C1)Cl)S(=O)(=O)NCC2=CC=CS2 1 2.712 1 3 -6.08695502590227 1259448 CCC1=NC(=CN1S(=O)(=O)C2=C(C=C(C(=C2)Br)C)OC)C 1 3.503 2 3 -5.24494032004375 1259441 CCC1=CC(=CC=C1)CN2CCC(CC2)CNC(=O)NC3=CC=C(C=C3)Cl 1 4.825 3 1 0.767756888522552 1259437 CC1=C(C2=CC=CC=C2N1)C(=O)CN3CCN(CC3)C4=CC(=CC=C4)OC 1 3.628 3 2 4.34091125773803 1259433 CC1=CC(=C(C=C1Cl)S(=O)(=O)N2C=CN=C2)OC 1 2.208 2 3 -3.73178547713377 1259415 CCSC1=NC=C(C(=N1)C(=O)NC2=CC=CC=C2)Cl 1 3.34 3 1 -7.5041746854736 1259407 CSC1=NSC(=N1)SCCN2C(=O)C3=CC=CC=C3C2=O 1 2.985 3 2 -6.05382134206702 1259406 CC1=CC(=C(C=C1Br)S(=O)(=O)N2CCCC2)OC 1 2.626 1 3 -9.96343446817503 1259390 C1CCC(CC1)NC(=O)C2=NN3C(=C2)N=C4CCCCC4=C3C(F)(F)F 1 4.489 4 1 -12.0366862795351 1259383 COC1=C(C=C(C=C1)C2=NOC(=N2)CN3CCOCC3)OC 1 1.141 3 4 0 -0.6822945800791 1259379 COC1=C(C(=C(C(=C1F)F)C(=O)NC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3)F)F 1 4.239 2 3 -8.91345912311556 1259371 CCN1CCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O 1 1.474 3 5 0 -12.471630499779 1259370 COC1=CC=CC=C1C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)N3CCOCC3)C(F)(F)F 1 2.922 3 5 0 -15.3015495851992 1259369 C1CN(CCC1CNC(=O)NC2=CC(=CC=C2)Cl)CC3=CC=CC=C3Cl 1 4.547 3 1 0.219382302300886 1259358 CC1=CC(=NO1)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4CC4 1 1.948 5 2 0 -20.3048393622305 1259355 CC1=CC(=NN1CC(=O)NC2=NC=CS2)[N+](=O)[O-] 1 0.692 5 3 0 -14.619911888712 1259349 CCOC1=CC(=CC(=C1OCC)OCC)S(=O)(=O)N2C=C(C(=N2)N)C3=CC=C(C=C3)F 1 4.144 3 5 0 -5.98590639150636 1259346 CC1=CC(=NO1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C 1 0.577 5 4 0 -18.0117032334085 1259343 CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)OC 1 3.451 1 3 -5.8133435996583 1259328 CC1=NN=C2N1N=C(S2)C3=CC(=CC=C3)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)Cl 1 4.368 5 2 0 -0.894255515121278 1259308 C1CCC2=C(CC1)N(N=C2C(F)(F)F)CC(=O)N3CCOCC3 1 2.643 3 2 -10.3111210067779 1259263 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)OC3=NNC(=O)C=C3)N(C)C 1 2.095 7 2 0 -12.0443225808336 1259262 CC1=CC(=NN1CC(=O)NC2=NC=C(C=C2)Cl)[N+](=O)[O-] 1 1.748 5 3 0 -11.0728992132161 1259261 C1CN(CCN1C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F)C(=O)CCC(=O)O 1 2.664 2 4 -7.66829897294268 1259244 CC1=C(C(=NN1CC(=O)NCC2=CN=CC=C2)C)[N+](=O)[O-] 1 0.295 5 3 0 -17.4762733617936 1259240 CCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)C3=C(S2)N=CC=C3 1 3.2 3 3 -9.40463859187441 1259207 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=CC=N4 1 2.619 8 0 0 2.15978270348125 1259197 COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 3.017 3 3 -6.31138674872956 1259195 CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=NN4C=CC=NC4=C3Cl 1 3.239 6 1 0 -11.4014235723281 1259192 CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)Br)Cl 1 3.406 3 2 -4.38680594973796 1259180 CC1=C(C(=CC=C1)C)N2CCN(CC2)S(=O)(=O)N3CCCCC3 1 2.48 3 2 -8.52118318138982 1259173 CC1=CC(=NN1CC(=O)NCC2=CC=CC=C2)[N+](=O)[O-] 1 1.702 4 3 0 -19.8536833335749 1259154 CC1=CC(=NN1CC(=O)NC2=C(C=CC(=C2)F)F)[N+](=O)[O-] 1 2.106 4 3 0 -12.2830245577195 1259153 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC(=NS2)SC 1 3.41 3 2 -12.4954586354067 1259137 C1CCC2=C(C1)C(=O)N=C(N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.332 4 3 0 -9.96273124038041 1259136 CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C 1 3.754 2 2 -10.0864516542961 1259131 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=NC(=NO3)C4=CC=CC=C4 1 3.415 4 3 0 -6.30808248179382 1259130 CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)C(C)(C)C 1 4.028 3 3 -13.5806714785278 1259129 CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=NN4C=C(C=NC4=C3)Br 1 3.323 6 1 0 -11.4663210070628 1259115 COC1=CC=CC=C1C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)O)C(F)(F)F 1 3.45 2 5 0 -12.1666262446667 1259105 C1CC1C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=CC=C(C=C4)Cl 1 4.391 4 1 -12.1420969485722 1259103 CC1=C(C(=CC=C1)C)N2CCN(CC2)S(=O)(=O)N3CCOCC3 1 1.25 3 3 0 -10.4793659028395 1259098 COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CS4 1 4.281 5 2 0 -3.18672419148137 1259068 CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)N(C)C 1 1.076 3 2 0 -12.5570430723234 1259067 C1CCCN(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.739 3 3 0 -18.7647015123046 1259066 CN(C)C1=CC=C(C=C1)NC(=O)NC2=CC=CC3=CC=CC=C32 1 3.593 3 1 -6.94085624575313 1259056 CCOC(=O)N1CCC(CC1)NC(=O)C2=C3N=CC=CN3N=C2 1 -0.327 5 3 0 -9.86626392178116 1259054 CCCC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=CN=C3)Br 1 3.122 3 2 -1.80784379216384 1259038 CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)N3C(=O)CCC3=O)Cl 1 2.11 3 3 -9.50319888666893 1259020 C1=CC(=CC(=C1)C2=CN(N=C2N)S(=O)(=O)C3=CC=C(C=C3)Cl)C#N 1 3.485 4 2 0.368184673364223 1259016 C1CCCN(CC1)C(=O)CN2C=CC(=N2)[N+](=O)[O-] 1 1.552 4 3 0 -13.7069014929797 1259001 CCOC1=C(C=CC(=C1Cl)Cl)S(=O)(=O)N2CCCC2 1 3.069 1 3 -11.0043541757418 1258999 CC1=C(C(=NN1CC(=O)NC(C)C)C)[N+](=O)[O-] 1 0.588 4 3 0 -16.9527206422976 1258994 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4N3C 1 2.364 5 2 0 -20.4295108937106 1258993 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.555 2 5 0 -18.9284022671339 1258981 CCN(CC(=O)N)S(=O)(=O)C1=CC=C(C=C1)F 1 0.355 2 3 0 -8.52178987694262 1258969 CSC1=NC=C(C(=N1)C(=O)NC2=CC=CC=C2Cl)Cl 1 3.656 3 1 -6.77929291448122 1258959 C1=CC(=CC=C1/C=C\2/C(=O)N(C(=N)S2)C3=CC=C(C=C3)F)O 1 3.742 2 2 -1.39469474554916 1258954 COC1=CC(=CC(=C1O)OC)/C=C\2/C(=O)N(C(=N)S2)C3=CC4=C(C=C3)OCO4 1 3.272 2 6 0 -5.23004001536342 1258949 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)C3=CN=CC=C3 1 2.742 4 1 -13.9089082203553 1258939 COC1=C(C(=C(C(=C1F)F)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)F)F 1 3.6 2 4 -5.37061311510879 1258930 CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C(=O)N)[N+](=O)[O-])Br 1 1.445 5 4 0 -13.4469262047274 1258929 CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC)Br 1 2.704 1 5 -18.0582739920341 1258926 C1CC1C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=CN=CC=C4 1 2.576 5 1 -14.5608397803048 1258913 CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC 1 3.672 3 2 -8.30841060474526 1258912 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CS3 1 0.713 3 3 0 -19.4376294599777 1258911 CC1=C(C=CC(=N1)NC(=O)C2=CC=CC(=C2)C3=CC4=CC=CC=C4OC3=O)Br 1 4.582 2 3 -0.497808812568199 1258909 CSC1=NC=C(C(=N1)C(=O)NC2=CC=CC=C2Br)Cl 1 3.74 3 1 -7.29714121961045 1258891 C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2CC3=CC=CO3)N 1 2.789 3 2 -12.9989159767296 1258870 C1CN(CCN(C1)S(=O)(=O)N2CCOCC2)S(=O)(=O)N3CCOCC3 1 -3.003 4 6 0 -13.1225089626234 1258857 CC1=CC(=NO1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.222 3 5 0 -28.3250796129609 1258837 C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)C3=CC=NC=C3 1 2.564 4 2 -9.08162173195424 1258835 COC(=O)C1=CC2=C(C=C1)NC3=C(S2)C(=O)CCC3 1 2.093 1 3 -14.8492555512592 1258799 C1=CN(N=C1[N+](=O)[O-])CC(=O)NC2=NC=CS2 1 0.546 5 3 0 -12.2547586537485 1258797 CCOC1=C(C=CC(=C1)S(=O)(=O)N2C=CN=C2)Cl 1 2.071 2 3 -7.96560217970318 1258762 C1CCC(CC1)NC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.71 3 3 0 -10.4701153811306 1258752 C1CN(CC2=CC=CC=C21)C(=O)CN3C=CC(=N3)[N+](=O)[O-] 1 1.837 4 3 0 -16.7034012059483 1258750 CC(C)C(=O)NC(=S)NC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 4.939 4 2 -9.88198085848294 1258719 CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C)Cl 1 2.07 3 2 -6.3817678971493 1258688 C1CCN(C1)C(=O)CSC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCOCC4 1 1.92 6 2 0 -11.4428486587491 1258683 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(S2)C3=CN=CC=C3 1 2.223 4 3 0 -16.5702186458694 1258682 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C(F)F 1 2.54 2 5 0 -19.5084495595564 1258667 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=COC=C3)Cl 1 3.174 2 3 -14.6045237543433 1258664 C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC(=O)C4=C(S3)N=CC=C4 1 4.562 3 2 -5.00956743742663 1258635 CC(=O)NC1=CC(=CC=C1)OC(=O)N2CCOCC2 1 0.607 2 4 0 -9.46608107809234 1258618 CCOC1=C(C=CC(=C1)S(=O)(=O)N2C=CN=C2)Br 1 2.155 2 3 -7.06760578366847 1258614 CCOC(=O)C1=C2CCCCCN2C3=C1C=C(C=C3)O 1 3.604 1 3 -1.18687066832462 1258612 C1CCCN(CC1)S(=O)(=O)NC2=CC=C(C=C2)F 1 1.911 2 2 0 -0.235761631107841 1258596 CC(=O)C1=CC(=CC=C1)NS(=O)(=O)N2CCCCC2 1 0.989 2 3 0 -4.44604247126833 1258583 C1CN(CCN1C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4 1 3.975 2 4 -12.3897602475702 1258580 C1COCCN1C2=CC=C(C=C2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl 1 1.976 3 4 0 -5.22122345784028 1258568 COC1=CC=CC=C1OCC(=O)N(CC2=NC(=NO2)C3=CC=CC=C3)C4CCCCC4 1 4.088 3 4 0 -5.81029409191902 1258567 COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=NC=CS3)C4=CC=CC=C4 1 4.721 4 2 -13.450790898214 1258518 CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CO3)Cl 1 3.13 3 3 -5.10396826194369 1258523 CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 1.597 5 4 0 -13.4957123986543 1258497 CCOC1=C(C=C(C=C1)C(C)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.75 2 5 0 -16.5188615513181 1258496 CC1=CC(=NC(=N1)SCC(=O)NNC(=O)C2=CC=CS2)C 1 1.525 4 2 0 -15.9734328830838 1258492 CC1=CC(=CC=C1)NC(=O)C2=NC(=NC=C2Cl)SC 1 3.477 3 1 -4.01956442815212 1258491 CC1=C(C(=CC=C1)C)NC(=S)NC(=O)CCC2=CC=CC=C2 1 5.229 2 1 -10.7995725316559 1258447 C1CCCN(CC1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCC3 1 0.67 4 3 0 -13.609512850876 1258446 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N3C=CC=C3)CN4CCOCC4 1 1.819 7 4 0 -19.865377662061 1258440 CC(C)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC 1 3.042 1 3 -13.4137071557072 1258368 CN1C2=C(N=C1NNC(=O)C(F)(F)F)N(C(=O)N(C2=O)C)C 1 3.5e-002 6 3 0 -13.8338720726469 1258375 CCOC(=O)C1=NN(C(=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 4.14 3 6 0 -9.9258195369212 1258379 CC1=CC(=C(C(=C1)OCC(=O)NCC2=NC(=NO2)C3=CC=CC=C3)C)C 1 3.498 3 3 -3.10807317516739 1258386 C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)Cl)C(=O)C4=CC=CS4 1 3.125 4 2 -10.7292203607664 1258426 CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1OC4=CC(=CC=C4)OC 1 3.745 4 3 0 -5.87433248243375 1258415 CC1=CC(=C(C=C1)NC(=O)NCC2CCN(CC2)CC3=C(C=CC(=C3)C)Cl)C 1 5.341 3 1 -4.60092749156654 1258413 CC1(CC2=C(CO1)C=C3C4=C(C(=NC=N4)SCC(=O)NCC5=CC=CO5)SC3=N2)C 1 3.099 4 3 0 -28.6770755740634 1258402 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=NN4C=C(C=NC4=C3)Br 1 1.832 4 3 0 -8.42679491916015 1258398 CC(C)(C)C(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])OC 1 3.526 3 4 0 -16.1183607870255 1258349 C1COCCN1CCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 0.333 3 5 0 -22.588150349449 1258345 C1=CSC(=C1)CC2=NNC(=S)N2C3=CC(=C(C=C3)F)Cl 1 4.536 3 0 -5.03765856288772 1258340 CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])COC3=CC=CC=C3 1 3.742 4 4 0 -13.4091442682473 1258327 CC1=C(C(=NN1CC(=O)NC2=NC=CS2)C)[N+](=O)[O-] 1 0.435 5 3 0 -10.5344274213011 1258323 C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)NCCC4=CC=CC=C4)N)N5CCOCC5 1 4.3 4 2 -12.3575584557715 1258314 CCC(=O)N1C(=NC(=N1)NCC2=CC=CC=C2OC)NCC3=CC=CC=C3OC 1 3.116 5 3 0 -6.88122363662339 1258313 COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)N3CCN=C3C4=CC=CC=C4 1 2.679 3 6 0 -11.5140251017247 1258311 CCN(CC(=O)NC1=CC=CC(=C1)C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.655 2 5 0 -17.9912232937009 1258309 COC1=CC(=CC(=C1)C(=O)NC(=S)N2C[C@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)OC 1 2.293 3 4 0 -15.4854774125649 1258305 C1COCCN1C2=NC(=NC(=N2)CN3N=C(N=N3)C4=CC=CC=C4F)N 1 0.823 9 1 0 -0.878330127689824 1258290 C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NC(=O)C=C(N3C4=CC=CC=C4)N 1 4.999 4 2 -16.3977842336433 1258283 CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4 1 3.132 2 4 -13.3958690756435 1258280 CC1=CC=CC=C1NC(=O)CSC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCOCC4 1 3.315 6 2 0 -12.7615881655302 1258272 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)Cl)C)OC 1 2.757 1 5 -13.3709153606095 1258258 CC1=C(C=C(C=C1)NC(=O)NCCN2CCN(CC2)C3=CC=C(C=C3)Cl)OC 1 3.848 4 2 -1.942724873475 1258251 C=CCN1C=NC2=C1N=CN=C2NCC3=CC=CC=C3 1 2.047 5 0 -6.60302268777191 1258242 COC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)C3=CC=NC=C3 1 2.547 4 3 0 -8.82809543051076 1258236 CCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)N2C=C(N=C2)C 1 3.369 2 3 -7.36728978732018 1258235 COC1=C(C=C(C=C1)C2=CC(=NC3=C2C4=CC=CC=C4C=C3)C(=O)O)OC 1 4.468 1 4 -3.1255016024626 1258232 CC1(CC2=C3C4=C(C(=NC=N4)NCCN5CCOCC5)SC3=NC(=C2CS1)N6CCOCC6)C 1 2.886 6 2 0 -9.65042448212366 1258225 CC1=CC(=C(C=C1Br)S(=O)(=O)NCC2=CC=CC=C2)OC 1 3.542 1 3 -2.92332895045251 1258223 C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCC(=O)O 1 1.059 3 3 0 -5.74962276228313 1258220 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C5N=C(C=C(N5N=C4)C(F)F)C6=CC=CC=C6 1 3.654 5 3 0 -6.30433232551743 1258213 C1=COC(=C1)CNC(=O)CN2C=CC(=N2)[N+](=O)[O-] 1 0.738 4 4 0 -18.9026357853924 1258210 C1=CC(=CN=C1)CNC(=O)CN2C=CC(=N2)[N+](=O)[O-] 1 0.406 5 3 0 -19.2720385112591 1258199 CC1=C(C(=NN1CC(=O)NCC2=CC=CC=N2)C)[N+](=O)[O-] 1 0.51 5 3 0 -17.1581375548321 1258198 CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=CC=C3 1 2.333 4 2 -12.6488674115344 1258197 CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)N(CC3=CC=CO3)C(=O)CN4C(=NN=N4)N 1 2.503 7 3 0 -25.66694234214 1258146 CC1=CC(=NO1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC 1 0.541 3 6 0 -30.1422582499885 1258149 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3 1 3.9e-002 4 5 0 -23.4005913986652 1258192 COC1=CC=CC=C1CNC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C 1 1.901 2 4 0 -18.9346661060016 1258166 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CCC(=O)O 1 4.9e-002 3 4 0 -14.1200541145976 1258119 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NN4C=CC=NC4=C3Cl 1 2.239 5 1 -2.74316088543456 1258102 COC1=C(C=C(C=C1)C2=NN(N=N2)CC3=NC(=NC(=N3)N)N4CCOCC4)OC 1 0.585 9 3 0 -3.19179870566932 1258096 C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC(=C(C=C4)F)Cl 1 3.629 5 1 -4.50499996260836 1258047 C1=CC2=NSN=C2C(=C1)S(=O)(=O)N3C=C(C(=N3)N)C4=CC=C(C=C4)Br 1 3.818 5 2 0 -0.175019549321316 1258045 CC1=C(C(=CC=C1)N2C(=NN=C2SCCC(=O)O)C3=CC=CS3)C 1 4.64 3 2 -12.0096339353753 1258043 CC(=O)NC1=CC(=CC=C1)OC(=O)N2CCCCC2 1 1.837 2 3 0 -7.89778462831676 1258041 CC(C)N(CC1=NC(=NO1)C2=CC=C(C=C2)OC)C(=O)C3=CC=CS3 1 3.074 3 3 -3.59638854785285 1258040 CC1=CC(=C(C=C1Br)S(=O)(=O)N2CCOCC2)OC 1 1.852 1 4 0 -12.2760857037928 1258036 COC1=C(C=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C4=CC=CC=C4F)OC 1 3.289 4 3 0 5.79683922126271 1258023 CC(C)N(CC1=NC(=NO1)C2=CC=C(C=C2)OC)C(=O)C(C)(C)C 1 3.002 3 3 -1.93506045009746 1258014 CC1=C(C(=NN1CC(=O)NCC2=CC=C(C=C2)C(=O)O)C)[N+](=O)[O-] 1 1.075 4 5 0 -16.9187116781244 1258011 CC1=C(C(=NN1C(=O)CN2C=C(C=N2)[N+](=O)[O-])C)Cl 1 1.416 5 3 0 -7.64591734098042 1258003 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=N3)CC4=C(C=CC(=C4)OC)Cl 1 2.657 6 3 0 -15.5374273625759 1257997 CCC1=NC(=CN1S(=O)(=O)C2=C(C(=C(C(=C2)C)OC)C)C)C 1 3.727 2 3 -4.5568102117431 1257994 CC1=NOC(=C1)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3 1 3.168 2 2 -9.48054964491353 1257973 CC(C)N(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)C(C)(C)C 1 3.019 3 2 -1.99661065726852 1257961 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=N4)CC5=CC=CC6=CC=CC=C65 1 3.493 7 2 0 -10.9209399076884 1257937 CCOC1=C(C=CC(=C1Cl)Cl)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C 1 3.142 2 3 -13.2363252376084 1257929 CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC(=C(C=C3)OC)OC 1 2.961 2 3 -9.2297610564684 1257917 C1=CC(=C(C=C1F)F)NC(=O)C2=NN3C=C(C=NC3=C2)Br 1 2.475 4 1 -5.06984792096305 1257886 C1CC1C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NCCC4=CC=CC=C4 1 3.138 4 1 -14.6907944765879 1257884 CC1=CC(=C(C=C1Br)S(=O)(=O)NCCN2CCOCC2)OC 1 1.785 2 4 0 -7.36007108462398 1257875 CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5 1 3.698 3 7 0 -6.67582312364367 1257866 C1OC2=C(O1)C=C(C=C2)OCCN3C=C(C4=CC=CC=C43)C=C5C(=O)NC(=O)NC5=O 1 2.764 3 6 0 -8.45530704063174 1257859 CCOC(=O)C1CCN(CC1)CC2=C(N=NN2C3=NON=C3N4C=CC=C4)C(=O)OCC 1 2.808 7 5 0 -19.7274507215877 1257857 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C(F)F 1 2.996 2 5 0 -19.8629180737244 1257840 CCOC1=C(C=C(C=C1)C)S(=O)(=O)N2C=CN=C2 1 1.893 2 3 0 -6.47238349399138 1257820 CC1=C(N(C2=CC=CC=C12)C(=O)CN3CCN(CC3)C4=CC=CC=N4)C 1 3.769 4 1 1.98207625036565 1257799 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C5=CC=CC=C5 1 5.16 4 4 0 -11.5604777634751 1257793 CC1=C(C(=NN1CC(=O)N2CCC3=CC=CC=C32)[N+](=O)[O-])Br 1 2.724 4 3 0 -13.3278302134157 1257789 CC1=C(C(=NN1C(=O)CN2C=CC(=N2)[N+](=O)[O-])C)Br 1 2.039 5 3 0 -9.20815471136058 1257786 CCOC(=O)N1CCN(CC1)CC(=O)N2CCC(CC2)C(=O)N 1 -0.731 4 4 0 -7.92134769456868 1257771 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCOCC3)OC 1 -0.503 3 6 0 -20.6866163239905 1257748 C1CCN(CC1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)N3CCCCC3 1 -0.544 4 4 0 -10.166082270278 1257745 CCSC1=NC=C(C(=N1)C(=O)NC2=C(C=CC(=C2)C)C)Cl 1 4.312 3 1 -9.03585243601789 1257729 C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)Cl)C(=O)C4=CC=CO4 1 3.671 3 3 -3.95806199232023 1257715 CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.446 3 3 -11.0730641876013 1257701 COC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCC4=CC=CC=C43 1 1.907 7 3 0 -29.3281496525619 1257683 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCC5(CC4)OCCO5 1 2.896 4 3 0 -10.796403677616 1257662 CCNC(=O)COC1=CC=C(C=C1)OCC2=CC=CC=C2 1 2.789 1 3 -7.74980301871834 1257655 CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)Cl 1 2.045 4 3 0 -13.0179165809402 1257653 CC1=C(C(=NN1CC(=O)NCC2=CC=CC=N2)[N+](=O)[O-])Br 1 1.515 5 3 0 -17.9727714002624 1257639 CC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)NC3=C(C=C(C=C3)OC)Cl 1 3.848 4 2 -3.98920455556676 1257623 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N3CCCCCC3 1 0.859 4 4 0 -22.0406553658463 1257598 CC1=C(C(=NN1)S(=O)CC(=O)O)[N+](=O)[O-] 1 -0.236 3 5 0 9.68765622552837e-002 1257587 CCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3 1 4.221 4 2 -18.2433147166708 1257586 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=CC=CC=C4 1 4.998 2 1 -2.74778449375214 1257583 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C)C3=CC=CC=C3 1 4.101 1 3 2.28987278338444 1257575 C1C(CS1)OC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)Br 1 3.807 1 2 -4.47790620668223 1257553 CC1=C(C=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=NC=CS4)C 1 4.426 5 2 0 -15.821586549719 1257549 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br 1 2.943 1 4 -12.514325608235 1257542 CC1=C(N=CC=C1)NC(=O)CN2C(=CC(=N2)[N+](=O)[O-])C 1 1.57 5 3 0 -12.0748765493765 1257531 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 2.58 2 4 -8.55289605829783 1257518 CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC(F)F 1 3.752 1 3 -6.71862771989068 1257514 CN1C(=NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 4.239 5 1 0.539105996664503 1257512 CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCOCC3 1 1.754 3 2 0 0.269641360003481 1257502 CN(CC(=O)NC1CCCCC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 2.513 2 4 -15.7894813354234 1257476 CC1=CC=C(C=C1)SCC2=CC(=O)N3C(=N2)N=C(N3)C 1 1.49 4 1 0 -3.12395606422996 1257466 CC(C)(C)NC(=O)C1=CC2=C(C(=CC=C2)CC=C)OC1=O 1 3.007 1 3 -17.4392942610247 1257401 C1CC1C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=CN=CC=C4 1 1.659 5 1 0 -11.838089195563 1257445 CN1C(=NN=C1SCCC(=O)O)C2=CC(=C(C=C2)OC)OC 1 2.105 3 4 0 -13.3610791122459 1257441 C1CN(CCN1C(=O)C2=CC(=CC=C2)F)C(=O)C3=NN4C=CC=NC4=C3Cl 1 1.696 5 2 0 -5.17982543216965 1257433 CC1=NC2=CC=CC=C2C(=O)N1NS(=O)(=O)C 1 -5.e-003 3 3 0 -9.66913164826862 1257398 COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.445 2 5 0 -11.2505252813606 1257397 CC1=CC(=NC(=N1)NNC(=S)NC)C 1 0.855 5 0 0 -6.32160657065461 1257387 CC1=CC(=NC2=C(C=CC(=C12)OC)OC)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F 1 3.637 3 3 -2.31040412814228 1257381 CC1=C(C(=NN1CC(=O)NC2=CN=CC=C2)C)[N+](=O)[O-] 1 0.288 5 3 0 -9.16120166853558 1257379 CC1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C5=CC=CC=C5 1 5.008 4 1 -10.4589457543337 1257377 C1=CC2=C(C(=C1)OCC3=NN=C(N3C4=CC=C(C=C4)Cl)SCCC(=O)O)N=CC=C2 1 4.4 4 3 0 -15.2699955626483 1257373 CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3CCCCC3)C 1 4.035 3 1 -3.44890678537233 1257372 C1=CSC(=C1)CNC(=O)CN2C=CC(=N2)[N+](=O)[O-] 1 1.296 4 3 0 -19.597400953027 1257362 COC1=C(C=C(C=C1)C(=O)CSC2=NC(=NS2)SC)OC 1 3.527 2 3 -9.81136857439916 1257338 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC3=CC=CC=C3 1 2.985 2 3 -6.05602540674261 1257337 CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)OC 1 2.115 1 3 -13.1784076384605 1257327 CC1=CC(=NO1)NC(=O)CN2C=CC(=N2)[N+](=O)[O-] 1 0.688 5 4 0 -19.5437378715221 1257315 CC1=C(N(C2=CC=CC=C12)C(=O)CN3CCC(CC3)C(=O)N)C 1 2.225 3 2 -5.50272512134354e-002 1257314 C1CN(CCN1CCNC(=O)NC2=CC=CC=C2)C3=CC=CC=C3Cl 1 3.378 4 1 -2.33524362033793 1257306 CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42 1 4.937 2 2 -9.28711671851063 1257284 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=NO3)C4=CC=CC=C4 1 1.962 5 3 0 -10.0092085856841 1257250 C1CC1C(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl 1 3.729 2 1 -6.42517690179868 1257248 CCC1=CC(=CC=C1)N2C=C(C(=N2)C(=O)NC3=CC=C(C=C3)F)C4CCN(CC4)C(=O)OC(C)(C)C 1 5.943 4 3 0 -2.73355596843888 1257244 C1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC4=C3C(=CC=C4)N2 1 3.31 3 1 -9.08334218849337 1257226 CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=NC=C5 1 4.973 6 1 0 -0.998257099155253 1257225 CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C=CC(=N2)[N+](=O)[O-] 1 0.67 5 4 0 -13.5501404136086 1257224 CC1=C(C(=NN1CC(=O)NCCC2=CC=C(C=C2)Cl)C)[N+](=O)[O-] 1 2.431 4 3 0 -12.5398317589317 1257206 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)OCC)C 1 1.974 2 5 0 -16.7217463983378 1257184 CC1=CC(=NO1)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC(=C(C=C4)OC)OC)C(F)(F)F 1 3.739 5 4 0 -22.6318053691682 1257179 C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)COC3=CC=CC4=C3N=CC=C4 1 3.736 4 3 0 -17.8558809903475 1257174 COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)NC2CCCC2 1 2.774 1 4 -10.0843493077551 1257172 CC1=CC=C(C=C1)C2=CN(N=C2N)S(=O)(=O)C3=CC=CC4=NSN=C43 1 3.556 5 2 0 -0.540358494806696 1257160 CC1=CC(=NO1)NC(=O)C2=NN3C=C(C=NC3=C2)Br 1 1.203 5 2 0 -14.4441857750495 1257153 C1=CC=C(C(=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=NC=C4)Cl 1 3.764 5 3 0 -13.6013903057268 1257142 CC1=C(C=CC2=C1N=C(C=C2C(=O)NCC(=O)OC)C3=CC=NC=C3)Cl 1 2.878 3 3 -9.30068544891078 1257138 CC1=CC=C(O1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NN4CCOCC4 1 2.862 3 3 -3.79087445645743 1257137 CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCCC3=CC=C(C=C3)F)C4=CC=CC=N4 1 5.045 3 1 -3.07835351583076 1257131 C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6 1 4.903 3 3 -8.95849548914562 1257122 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CN=CC=C5 1 2.726 6 1 0 -1.52466015380243e-003 1257121 CC1=CC=CC2=C1N=C(C=C2C(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=NC=C5 1 4.342 4 1 -0.197402472200855 1257117 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=N4 1 3.81 4 2 -3.04703546499481 1257113 CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NC4=C(C=C(C=C4)OC)OC)C 1 4.536 3 3 -8.82335101677364 1257108 CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CN=CC=C4 1 1.982 4 3 0 -15.2624868562874 1257106 CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=N5 1 2.893 6 1 0 1.63176956712751 1257105 CC1=C(C(=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)C 1 4.998 3 1 -3.72399548342061 1257101 COC1=C(C=CC(=C1)SC)C(=O)NC2=CC=CC(=C2)C3OCCCO3 1 2.893 1 4 -4.61539688135025 1257091 COC1=CC(=C(C=C1)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCCC4 1 4.54 2 3 -9.03030465525911 1257030 CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)C 1 3.71 4 3 0 -11.4452085251488 1257041 CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C)C(=O)N 1 5.14 3 2 -7.7972523487035 1257045 CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NN4CCOCC4 1 3.807 3 2 -3.66348253372917 1257052 C1=CC2=C(C(=C1)Cl)N=C(C=C2C(=O)NC3=CC=C(C=C3)F)C4=CC=NC=C4 1 4.467 3 1 -3.10234865475162 1257066 COC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=NC=C4)OC 1 4.312 3 3 -6.23789613862754 1257023 C1CN(CCC12OCCO2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CN=CC=C5 1 3.039 3 3 -6.04927318249102 1257011 CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C=C(C=C3)F)C)C4=CC=NC=C4 1 4.775 3 1 -3.20941166269136 1257010 CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=NCCS3)C4=CC(=CC=C4)Br 1 5.47 3 1 -6.01661209180452 1256999 CCOC1=CC=CC=C1NC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CC=NC=C4 1 4.594 3 2 -8.14627560839948 1256983 C1=CC=NC(=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=CC=C(C=C4)F 1 4.895 3 1 -3.04990096946808 1256976 C1=CC(=CN=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N 1 3.057 4 3 0 -11.8188383626218 1256964 C1=CC=NC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CC=CS4 1 4.521 3 1 -6.97359973742183 1256937 CCOC(=O)C1=C(N(N=C1)C2=C3C4=C(CCC4)SC3=NC(=N2)SC)N 1 3.449 5 2 0 -12.9422230973418 1256896 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)N4C=NN=N4 1 2.875 5 3 0 -27.5177907142257 1256891 COC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N3CCCCCC3 1 4.291 3 2 -14.5296521176386 1256890 CC1=CC(=NO1)NC(=O)C2=NN3C=CC=NC3=C2Cl 1 1.119 5 2 0 -14.2097241058976 1256879 CCOC1=C(C=CC(=C1)S(=O)(=O)N2C(=CC(=N2)C)C)Br 1 3.14 2 3 -11.1475095326548 1256854 CC1=CC(=CC(=C1)OC2=NC=NC3=C2N=CN3CC4=C(C=CC=C4Cl)Cl)C 1 5.955 4 1 -1.86709191880069 1256853 C=CCN1C(=NN=C1SCC(=O)O)COC2=CC=CC3=C2N=CC=C3 1 2.528 4 3 0 -22.8656533362874 1256836 C1CN(C2=CC=CC=C21)C(=O)CN3C=CC(=N3)[N+](=O)[O-] 1 1.83 4 3 0 -16.2086734411497 1256831 C1CCN(C1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4CC4 1 1.9 4 1 0 -12.8768619465664 1256815 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.055 3 3 -7.34537513213816 1256813 CCOC(=O)C1=NN(C(=C1)OC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3 1 4.229 2 5 0 -5.20828992907645 1256804 CN(C)C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)OC 1 5.542 3 2 -13.3873922655811 1256803 CCOC(=O)CCSC1=NC2=CC=CC=C2C(=C1)C 1 3.887 1 2 -5.10968261773371 1256791 CCC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)NC3=CC=CC=C3 1 3.656 4 1 -3.11415746090169 1256771 CC1=CC=CC=C1C(=O)NNC(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3 1 2.582 4 3 0 -20.8126252554476 1256749 CCOC1=CC(=C(C=C1C)C)S(=O)(=O)NCCN2CCOCC2 1 1.872 2 4 0 -8.00641039994641 1256741 CC(C)(C(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC=NC=C3)OC4=CC=C(C=C4)Cl 1 4.21 3 3 8.41710430003711 1256738 CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)C3=NN4C=C(C=NC4=C3)Br 1 2.931 6 1 0 -7.73814304407405 1256714 CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)CCCC(=O)O)Cl 1 2.372 3 4 0 -14.9298814650857 1256707 COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3CC4=CC=CC=C4)[N+](=O)[O-] 1 4.598 4 5 0 -20.8961604092791 1256693 CC1=NN(C=C1CNC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4CC4)C 1 1.749 6 1 0 -14.6139208823783 1256690 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)Cl 1 3.308 2 3 -6.90295306209053 1256658 COC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC=CC=C4Cl 1 3.833 2 5 0 -16.7563916218603 1256652 COC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC 1 2.975 3 2 -6.32017619062539 1256647 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.871 2 5 0 -15.0809545311682 1256639 CC1=C(C(=NN1CC(=O)NCCC2=CC=C(C=C2)Cl)[N+](=O)[O-])Br 1 3.436 4 3 0 -13.3544656043621 1256634 COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)NC3=CC=C(C=C3)Cl 1 3.362 4 2 -1.30903270530657 1256631 CCOC1=C(C=CC(=C1)S(=O)(=O)NC2CCCC2)Cl 1 3.139 1 3 -10.0237467787323 1256628 C1=CC=C2C(=C1)C=CC(=N2)C3=NNC(=S)N3C4=CC(=CC(=C4)Cl)Cl 1 5.622 4 0 0.123908971893088 1256627 CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2Cl)C)C 1 4.645 2 1 -3.11752752503908 1256622 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC 1 2.112 4 2 -9.0971277182345 1256621 CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NC(=O)C=C(N4)C 1 3.752 4 2 -18.1382203785144 1256620 CCOC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CS2 1 2.396 1 3 -6.81395171095344 1256609 CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=CO3 1 3.871 4 3 0 -9.6349374319073 1256595 C1CC1C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=CC5=C(C=C4)OCO5 1 3.495 4 3 0 -17.0605031086425 1256582 C1=CC=C(C=C1)N2C(=NNC2=S)CSC3=NC(=O)C4=CC=CC=C4N3 1 3.73 5 1 -13.1117012266296 1256576 COC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)Cl)OC2=O 1 3.642 1 4 -1.1469099432128 1256553 CC1=C(C(=NN1CC(=O)NC2=NC3=CC=CC=C3S2)C)[N+](=O)[O-] 1 2.064 5 3 0 -6.21977103370878 1256547 C1CCN(CC1)C(=O)CN2C=CC(=N2)[N+](=O)[O-] 1 1.096 4 3 0 -13.7069014929797 1256540 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=CC(=N2)[N+](=O)[O-] 1 1.754 4 5 0 -14.7826295854124 1256527 CC1=CC=C(C=C1)C2=CN(N=C2N)S(=O)(=O)C3=CC=C(C=C3)C 1 3.914 3 2 -1.1600786991242 1256516 CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)O)C(=O)NC4=CC=CC=C4 1 4.601 2 2 -3.56312737452237 1256472 CC1=CC(=NO1)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C 1 1.582 5 4 0 -18.8263370788388 1256468 CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC(=O)C 1 2.606 2 5 0 -14.3040950156883 1256456 C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=O)N(C=N4)CCC5=CC=CC=C5)N6CCOCC6 1 4.964 4 2 -8.29243019498238 1256453 CC(C)C(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2)OC 1 4.594 3 4 0 -14.5389139903336 1256430 CC1=C(C(=NN1CC(=O)NCC2=CC=CC=C2)[N+](=O)[O-])Br 1 2.45 4 3 0 -16.5828327115942 1256425 CC1=C(C(=NN1CC(=O)NC2=CC=CC=N2)[N+](=O)[O-])Br 1 1.832 5 3 0 -9.14586074234781 1256424 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)C4=CC=CS4 1 3.025 4 5 0 -9.32496249864717 1256412 CC1=CC(=C(C=C1Cl)S(=O)(=O)NCCN2CCOCC2)OC 1 1.701 2 4 0 -6.36958026571771 1256404 CC1=CC(=C(C=C1S(=O)(=O)NCC2=CC=CS2)C)OC 1 3.02 1 3 -3.26295934079692 1256402 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC4=C(C=CC(=C4)OC)Cl 1 2.774 5 4 0 -16.1060340136383 1256383 CC1=CC=CC=C1OCC(=O)NC(=S)NC2=NC(=C(C=C2)Br)C 1 4.034 3 2 -5.76412443162067 1256380 CC1=CC=C(C=C1)C2=CN(N=C2N)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] 1 3.322 4 4 0 -3.43039522931194 1256349 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-] 1 1.928 4 5 0 -21.2910457508967 1256340 CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 3.575 1 5 -3.80344922515632 1256335 CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CCNC3=NS(=O)(=O)C4=CC=CC=C43 1 2.749 4 4 0 -9.77681512259539 1256332 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)F)OC 1 1.812 1 5 0 -15.7976931146448 1256270 CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4)C 1 3.861 3 4 0 -5.52636257235978 1256265 CCCC1=NC2=CC=CC=C2C(=O)N1C3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.827 4 2 -12.3520772131481 1256261 C1CC2=CC=CC=C2N(C1)C(=O)CN3C=CC(=N3)[N+](=O)[O-] 1 2.286 4 3 0 -14.6793031142414 1256254 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=C(C=CC=C4Cl)Cl 1 5.616 2 1 -5.61402189763415 1256253 CN1C(=C(C=N1)C#N)NC(=O)C2=NN3C=CC=NC3=C2Cl 1 0.634 7 1 0 -8.9511867819493 1256251 CC1=C(N(C(=O)N1C2=CC=CC=C2)C)NC(=O)NC3=CC(=C(C=C3)OC)OC 1 2.434 4 4 0 -12.4376262635798 1256246 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3N)C(=O)N 1 1.008 3 4 0 -18.6895667491862 1256222 C1=CSC(=N1)NC(=O)CN2C=C(C=N2)[N+](=O)[O-] 1 7.e-003 5 3 0 -11.677753215979 1256216 CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C 1 5.463 3 1 -13.596826546728 1256204 CC1=C(C=CC(=C1)Cl)NC(=O)NC2=C(N(C(=O)N2C)C3=CC=CC=C3)C 1 3.617 4 2 -8.45222880845738 1256186 COC1=CC(=C(C=C1NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4CC4)OC)Cl 1 3.441 4 3 0 -17.3107037193581 1256185 C1=CN2C(=C(C(=N2)C(=O)NCC3=CC=CS3)Cl)N=C1 1 1.727 4 1 0 -11.6111642731478 1256180 CC1(CC2=C(CO1)C=C3C4=C(C(=NC=N4)SCC(=O)N5CCOCC5)SC3=N2)C 1 2.227 4 3 0 -25.6327803590034 1256177 C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 3.219 3 3 -13.5242602766217 1256176 C1=CC=C2C(=C1)N=C(S2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-] 1 1.636 5 3 0 -7.36309682838674 1256172 C1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(NC(=O)N3)(C(F)(F)F)C(F)(F)F 1 2.182 4 3 0 -3.00756643636254 1256158 C1CCN(CC1)C2(CCN(CC2)C(=O)C3=CC=C(O3)C#CC4=CC=CC=C4)C(=O)N 1 2.99 3 3 -7.00331916294055 1256130 C1CN(CCN1C(=O)C2=CC=CS2)S(=O)(=O)N3CCOCC3 1 -0.517 3 4 0 -21.3958121814274 1256124 CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)Br 1 4.568 2 1 -13.1019235674796 1256117 CN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3 1 3.558 2 2 -8.52521884618751 1256112 CCN(CC(=O)O)S(=O)(=O)C1=C(C=CC(=C1)Cl)Cl 1 2.106 1 4 -8.79270969157091 1256107 C1CN(CCN1CC2=NC(=NO2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 3.78 4 1 10.6729612994968 1256095 CN(CC(=O)NC1=CC=NC=C1)S(=O)(=O)C2=CC=C(C=C2)Br 1 1.181 3 3 0 -9.36766782550711 1256078 CN1C(=O)C(C(=O)N(C1=O)C)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC 1 2.866 2 5 0 -12.4422972742597 1256076 CN1C(=O)C(C(=O)N(C1=O)C)CC2=CC=C(C=C2)OCC3=CC=CC=C3 1 2.882 2 4 -6.91033460754065 1256050 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)C 1 3.749 2 4 -15.2851220816476 1256034 COC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC=CS2)Cl 1 2.275 2 3 -12.8908520992087 1256029 CC1=C(C(=CC=C1)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)C 1 4.465 3 3 -4.44510437681161 1256019 CCSC1=C(C=C(C=C1)C(=O)NC2=NC=C(C=C2)Br)[N+](=O)[O-] 1 3.536 3 3 -12.3161838657342 1255990 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 4.193 2 5 0 -10.1207276258584 1255986 CN(C)S(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(F)(F)F)C2=CC=CC=C2 1 2.116 3 3 -12.5494317674519 1255947 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC(=O)N2CCOCC2)C3=CC(=CC(=C3)C)C 1 2.919 2 5 0 -15.9750231979787 1255941 CN(C)CC(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl 1 2.563 2 1 -3.4487800504706 1255935 CN(CC(=O)NC1=CC=CC=C1C(=O)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.206 3 4 0 -16.0672636071812 1255929 CC1=CC(=NC(=N1)SCC(=O)NC2=NC=CS2)C(F)(F)F 1 2.401 4 1 -11.4171267392159 1255928 COC1=CC=CC(=C1)NC(=O)CNC(=O)C2=CC=CC=C2 1 1.658 2 3 0 -11.6315607864507 1255917 COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC=NN2 1 1.829 4 3 0 -16.5005322115209 1255915 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3 1 5.069 2 5 0 -4.1862116009718 1255910 CCCC(=O)NC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC(=O)C 1 2.625 2 4 -15.6433766802012 1255906 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CS4 1 5.249 4 2 -11.6087167390888 1255904 C1=CC=C(C(=C1)CSCC(=O)NC2=CNC(=O)NC2=O)Cl 1 0.542 3 3 0 -18.7030108339812 1255888 CSC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F 1 3.065 1 2 1.85331717632818 1255870 CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)O 1 3.339 2 5 0 -12.2725103141164 1255868 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)F 1 3.429 2 3 -10.2586349485107 1255859 CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl 1 3.573 3 4 0 -10.49605666689 1255851 C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)NCC3=CN=CC=C3 1 3.901 2 1 -13.2692557676565 1255814 CC1=CC=C(C=C1)C2=CN3C(=N2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5 1 6.045 4 0 1.92525490810685 1255801 CC1=NC2=NC(=NN2C(=C1)C3=CC=CC=C3)SC 1 3.533 4 0 0.107853634901506 1255774 C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)C3=C(C=CC(=C3)C(=O)O)Br 1 2.447 1 6 0 -8.97084714360129 1255757 C1COCCN1C2=NC(=NC(=N2)CSC3=NN=NN3C4=CC=C(C=C4)Cl)N 1 1.577 9 1 0 -13.4980848641042 1255744 CC1=CC(=C(C=C1Br)C)OCC(=O)N2CCN(CC2)C3=CC=CC=N3 1 3.818 3 2 -1.61527860796245 1255741 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CO5 1 4.582 3 3 -11.2195928682943 1255740 COC1=CC=CC=C1CC(=O)NC2=C(C=CC(=C2)Cl)O 1 3.055 1 3 -2.14799536254231 1255726 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 2.992 2 5 0 -10.863979880389 1255671 CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 5.12 2 3 -6.80392524772808 1255663 COC1=C(C(=C(C(=C1F)F)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)F)F 1 5.123 3 2 0.485538863500596 1255636 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4 1 2.949 3 4 0 2.22333068030147 1255621 CSC1=NN2C(=CC(=NC2=N1)C3=CC=CC=C3)C(F)(F)F 1 4.621 4 0 -3.17874497051235 1255614 CC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 2.164 3 5 0 -10.9023494324773 1255591 C1=CSC(=C1)C2=CC=C(N2NC(=O)C3=C(C=C(C=C3)Cl)Cl)CCC(=O)O 1 5.045 2 3 -6.42478941463029 1255567 C1CN(CC2=CC=CC=C21)C3=NC(=CS3)C4=CC=C(C=C4)Br 1 4.722 2 0 2.28024613894784 1255551 C1C(=O)N2CN(CN=C2S1)C3=CC4=C(C=C3)OCO4 1 1.873 3 3 0 -14.3748305797838 1255527 C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC=C(C=C2)CC#N 1 3.101 3 1 -0.989886758972513 1255479 CN(C)S(=O)(=O)N(CC(=O)NC1=CC=CC=C1SC)C2=CC=CC=C2 1 1.716 3 3 0 -17.3207329824779 1255449 CN1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl 1 1.433 3 3 0 -6.73257086022961 1255446 CC1=CC(=C(C=C1Br)C)OCC2=NC(=NO2)C3=CN=CC=C3 1 3.55 3 2 2.54392532058518 1255423 COC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)OC 1 3.578 3 4 0 -13.156258299398 1255390 CCOC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.901 3 5 0 -13.9558453261694 1255389 C1COCCN1C(=O)C2=CC=CC=C2CCC3=CC=CC=C3 1 3.362 1 2 -10.5577435252806 1255373 C1CCC(=CC1)CCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=CC=C3 1 4.517 2 3 -12.298797371939 1255371 CC(C)(C)C1=CC=C(C=C1)C(=O)NN2C(=CC=C2C3=CC=C(C=C3)OC)CCC(=O)O 1 5.147 2 4 -4.61754043951015 1255366 CN(CC(=O)NC1=NC=NN1)S(=O)(=O)C2=CC=C(C=C2)Br 1 0.633 5 3 0 -12.0575912505306 1255350 CC1=C(SC(=C1C(=O)OC)N)C(=O)N2CCOCC2 1 0.604 2 4 0 -8.02992125743066 1255349 CC1=CC=C(C=C1)S(=O)(=O)N(C)N=C2C3=CC=CC=C3N(C2=O)CC(=O)O 1 1.847 3 5 0 -9.14783346963148 1255346 CC1=C(C=C(C=C1)C(=O)O)NC(=O)CCC2=CC=CC=C2 1 3.221 1 3 -11.6822777877302 1255330 C1=CC=C(C=C1)CCC2=CC=CC=C2C3=NC(=NO3)C4=CN=CC=C4 1 4.425 3 1 -0.640466901463621 1255326 COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4 1 1.935 3 5 0 -13.2397376180373 1255316 CCN(CC(=O)NC1CCCC1)S(=O)(=O)C2=CC=C(C=C2)Br 1 2.506 2 3 -17.2167103983539 1255308 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)CCNC(=O)C3=CC=C(C=C3)OC 1 2.89 5 3 0 -23.5619244971007 1255271 CCNC(=O)C1=CC=CC=C1CCC2=CC=CC=C2 1 3.817 1 1 -10.5642552678746 1255260 CN(CC(=O)NC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Br 1 1.181 3 3 0 -9.54712162031265 1255242 CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4 1 4.525 3 4 0 -3.90985956549593 1255233 C1(=NON=C1N)C2=NOC(=N2)N 1 -0.96 6 2 0 -2.14599732974078 1255219 COC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3Cl)OC 1 3.866 2 5 0 -14.3359352546175 1255215 CCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)C4=CC=CS4 1 4.26 4 1 -7.63872412865889 1255159 CC1=CC(=C(C(=C1)C)C2=CC(=NC3=NC=NN23)C)C 1 3.928 4 0 -8.13895724157063 1255139 CCOC(=O)C1=CC2=C(S1)SC(=N2)NC3=CC=C(C=C3)OC 1 3.387 2 3 -1.8741179323677 1255102 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC(=C3)C)C 1 4.496 3 6 0 -15.7494677793592 1255085 CC1=CC(=C(C=C1Br)C)OCC(=O)NCC2=NC(=NO2)C3=CC=CC=C3 1 3.761 3 3 -2.50951779851587 1255045 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=CC(=CC=C4)Cl 1 4.707 4 1 5.2791410190765 1255032 CC1=C(C=C(C=C1)NC(=O)CCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3C)Cl 1 4.634 5 2 0 -25.1023164154711 1255028 C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)Cl 1 2.955 2 4 -11.7871435294771 1254984 CC1=CC=C(C=C1)C(=O)N2[C@@H](N3C(=N2)C4=CC=CC=C4S3(=O)=O)N(C)C 1 3.083 4 3 0 -4.58189801388233 1254973 CC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)OCC(=O)O 1 2.566 1 4 -9.77053864218583 1254963 CN(CC1=NC(=NO1)C2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)Br 1 1.711 4 3 0 -0.117476943062164 1254961 CC(=O)C1=CC(=CC=C1)N(CC(=O)NC2=C(C=C(C=C2)F)F)S(=O)(=O)C 1 1.734 2 4 0 -15.7325433402374 1254960 CN(CC(=O)NN1C=NN=C1)S(=O)(=O)C2=CC=C(C=C2)Br 1 -5.e-002 5 3 0 -9.76746516370399 1254934 COC1=C(C2=CC=CC=C2C=C1C(=O)NC3=CC=C(C=C3)CN4CCOCC4)Br 1 4.016 2 3 -1.38501104232308 1254930 COC1=C(C=C(C=C1Cl)C(=O)NC2=CC=CC=C2C(=O)O)Cl 1 3.556 1 4 -7.15073545349447 1254896 C=CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CCNC(=O)C4=CC=CC=C4F 1 3.054 6 2 0 -26.7519393556571 1254878 CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4)C 1 3.538 3 3 -9.65808232967242 1254875 C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=C(O3)Br 1 3.104 1 3 -6.10398325915156 1254872 C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)Cl)C(=O)C5=CC=CO5 1 4.312 3 4 0 1.89659448453995 1254857 CN1C(=NN=C1SCC2=NC(=NO2)C3=CC=CS3)C4CCCCC4 1 3.99 5 1 -8.01979802481976 1254815 C1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC4=C(C=C3)OCO4)Cl 1 3.658 2 6 0 -18.923725129354 1254809 C1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC4=C(C=C3)OCO4)Cl 1 3.651 2 6 0 -16.2407176744803 1254800 CNC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2 1 1.361 2 4 0 -8.58279150627484 1254764 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 1.803 2 5 0 -18.2967242051552 1254761 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 2.271 1 5 -18.0444563120801 1254758 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)Cl 1 2.751 1 5 -7.6656205286563 1254709 CC1=CC=C(C=C1)CNC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C 1 2.404 2 3 -16.3742016222757 1254683 CN(C)C1=C(C=C(C=C1)/C=C\2/C(=O)NC(=O)N(C2=O)CC=C)Br 1 2.597 3 3 -11.9359259786411 1254681 C1=CC(=CC=C1NC(=O)COC2=C(C=C(C=C2)Br)CO)F 1 2.799 1 3 -3.44265716765956 1254675 COC1=CC=C(C=C1)C(=O)NCC2=C(C=C(O2)C3=CC=CC=C3)C(=O)O 1 3.226 1 5 -2.10952796433814 1254658 C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=O)C4=CC=C(O4)Br 1 4.593 2 2 -0.341791082480462 1254657 C1=CC=C2C(=C1)C=C(O2)C(=O)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4 1 5.225 2 2 5.1194575405054 1254654 C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC=CO4 1 4.899 3 2 -1.00472786471115 1254653 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)N=N2 1 3.423 3 4 0 -5.71062542878596 1254646 C1COCCN1C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CS3 1 4.233 3 2 -10.1040774926961 1254645 C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CS2)C3=CC=C(O3)CO 1 4.106 2 3 -1.96327758999129 1254644 C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CS3 1 5.463 3 1 -8.51499136998335 1254639 COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC5=C(C=C4)OCCO5 1 5.083 2 6 0 -11.2340479912626 1254636 C1COCCN1C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl 1 6.149 3 3 -0.271978486358592 1254635 CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C 1 3.257 4 4 0 -18.438209438489 1254627 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CO3 1 2.331 4 4 0 -19.1336195530858 1254624 C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CO3 1 4.905 3 2 -7.52399104560391 1254620 C1COCCN1C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 4.174 4 4 0 -10.5100187911599 1254617 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC=N3)[N+](=O)[O-] 1 3.83 4 4 0 -14.3965964251287 1254616 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCOCC3)[N+](=O)[O-] 1 4.158 4 5 0 -14.7379843210073 1254612 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C)OC 1 2.903 4 5 0 -24.4777596293999 1254602 CCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 4.476 4 2 -6.0436636072524 1254592 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)OC)NC(=O)CSC4=CC=C(C=C4)Cl 1 5.593 2 3 4.57497552757135 1254581 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)Cl 1 4.275 3 2 -3.82700430947227 1254579 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br 1 4.754 2 2 0.283902178972801 1254578 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br 1 3.737 3 4 0 -10.0780281016749 1254568 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)C(=O)C5=CC=C(C=C5)Cl 1 4.917 3 3 2.02324934860922 1254546 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)Br)Cl 1 3.197 3 3 -13.7916930835922 1254542 COC1=C(C(=CC=C1)OC)C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3 1 3.096 2 4 -5.89415859966963 1254541 COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=CC3=C2C=CC=N3 1 3.533 2 2 -5.31630044699076 1254523 COC1=CC=CC=C1C(=O)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C 1 1.768 3 4 0 -18.1045435111459 1254513 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl 1 5.334 2 2 3.45535617544481 1254512 CCCS(=O)(=O)C1=C2C(=CC=CN2C(=C1S(=O)(=O)CCC)C(=O)C3=CC=CC=C3)N 1 3.408 2 5 0 -14.9076020527069 1254496 C1COCCN1C2=C(C=CC=C2Cl)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.858 3 5 0 -10.3820504957126 1254489 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)C(=O)C5=CC=C(C=C5)Cl 1 4.108 3 4 0 -6.49238249926211 1254488 C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC4=C(C=C3)OCCO4 1 4.144 2 3 -8.30273546224121 1254477 COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=O)C4=CC=C(O4)[N+](=O)[O-] 1 3.56 2 7 0 -2.91018060340667 1254473 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 1.198 4 6 0 -15.1214888099544 1254472 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl 1 3.736 4 5 0 -2.15071933749188 1254471 CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 3.161 4 4 0 -2.13911080990978 1254455 COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=O)C4=CN=CC=C4 1 2.996 2 4 -6.03907098776173 1254451 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3)C(=O)C4=CC=C(C=C4)Cl 1 3.171 4 2 -4.91539431658138 1254436 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=NN=C(S3)N 1 0.389 7 2 0 -14.4409578352689 1254434 CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.641 4 3 0 -5.28184394490232 1254423 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C 1 3.023 1 4 -14.5587065770352 1254419 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl 1 2.448 3 3 -14.3478254670029 1254353 COC(=O)C1=C(C=CC(=C1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)Cl 1 1.871 2 7 0 -17.6237846217935 1254315 COC1=CC=CC(=C1)NC(=O)CNC(=O)C2=CC=CS2 1 1.611 2 3 0 -12.2096922827737 1254297 C1=CC=C(C=C1)CSCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 3.429 2 4 -17.1715570003368 1254288 COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4)OC 1 3.336 4 4 0 -9.32736628707924 1254286 CC1=CC(=C(C=C1Br)C)OCC(=O)NC2=CC=NC=C2 1 3.02 2 2 -3.29224811537721 1254283 CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2CCC3=CC=CC=C3 1 5.538 1 1 -10.6489721407224 1254276 COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)OC 1 4.913 3 4 0 -4.82185743698685 1254267 COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4 1 2.063 3 4 0 -9.78104448731897 1254227 CC(=NNC(=O)C1=CC=C(C=C1)Br)CN2C3=CC=CC=C3N=N2 1 3.065 5 1 -12.4169793554686 1254226 C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)NN3C=NN=C3 1 2.664 4 1 -9.2257554578401 1254221 C1CCN(C1)C(=O)C2=CC=CC=C2CCC3=CC=CC=C3 1 4.135 1 1 -8.6349785613369 1254201 C1CN(CCN1C2=CC=CC=C2NC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl 1 3.736 4 5 0 -3.50674810963351 1254186 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCCC3 1 2.713 2 4 -13.5729535395103 1254165 COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4 1 4.188 4 4 0 -10.7391757972427 1254149 COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O 1 2.892 1 4 -3.91859910241853 1254126 COC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)OCC(=O)O 1 2.063 1 5 -11.099517715249 1254124 CSC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.05 2 3 -11.4013694239118 1254116 CSC1=CC=CC=C1C(=O)NC2CCCCCC2 1 3.894 1 1 -11.7430949127308 1254111 COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCOCC2 1 1.164 2 4 0 -11.1255521615065 1254095 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4 1 2.284 3 5 0 -13.3412731887335 1254083 CC1=CC(=O)C=C(C1(NS(=O)(=O)C2=CC=C(C=C2)Br)OC)C 1 3.06 1 4 -2.56320706227374 1254065 CC1(CC2=C(C=C(C(=O)O2)NC(=O)C3=CC=C(C=C3)F)C(=O)C1)C 1 2.042 1 4 -14.1287813834881 1254062 C1=CC=C(C=C1)CCC2=CC=CC=C2C3=NC(=NO3)C4=CC=CC=N4 1 4.853 3 1 0.137278900112099 1254036 CC1=CC=C(C=C1)C(=O)NCC(=O)NC2=CC=CC=C2C(F)(F)F 1 3.102 2 2 -11.5437438445248 1254035 C1CN(CCN1C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC=CS4 1 3.341 4 5 0 -14.515756774397 1254031 CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])COC3=C(C=C(C=C3)C)OCC 1 4.561 4 5 0 -16.7562710641628 1254029 COC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4 1 2.302 2 6 0 -15.9108347000281 1254022 CC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(O3)Br 1 2.871 1 5 -8.1544810729665 1254014 C=CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC=CC=C4F 1 2.805 6 2 0 -26.052524254121 1253964 CNC(=S)N(C)N=C1C2=CC=CC=C2N(C1=O)CC3=C(C=CC=C3Cl)Cl 1 4.636 4 1 -5.89777292240627 1253962 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)Cl 1 5.026 2 3 -12.216114935964 1253935 CC1=C(SC(=C1C(=O)NC2=CC=C(C=C2)OC)NC(=O)CCC(=O)O)C3=CC=CC=C3 1 3.646 2 5 0 -12.5150733353583 1253915 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-] 1 3.536 4 5 0 -10.8016171904655 1253910 CC1=C(SC(=N1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Br)C 1 1.757 3 3 0 -10.2150530869441 1253909 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br)C(=O)C4=CC=CC=C4 1 3.621 3 3 -6.22405852948522 1253885 COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)O)C(=O)O 1 1.986 1 5 0 -6.90286975693152 1253870 CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)OC 1 5.278 2 4 -8.34753047467765 1253864 CC(C)N(CC1=NC(=NO1)C2=CC(=C(C=C2)OC)OC)C(=O)C3=CC=C(C=C3)OC(=O)C 1 2.872 3 6 0 -7.07595197938037 1253850 CN(CC1=NC(=NO1)C2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.14 4 3 0 -1.81141629533762 1253844 CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CCNC(=O)C4=CC=C(C=C4)OC 1 2.215 6 3 0 -20.5917760712656 1253830 CN(CC(=O)NC1=CC=CC2=C1CCCC2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.845 2 3 -11.0297969792521 1253806 CC1=CC=CC=C1OCC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)O 1 3.794 3 3 -16.991646478476 1253803 CN(CC1=NC(=NO1)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br 1 1.711 4 3 0 -2.66018086740096 1253790 CC1=CC(=C(C(=C1)C)NC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)C 1 6.504 1 1 -7.25410963934658 1253782 CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 2.468 2 5 0 -15.2857339440618 1253774 CC1=CC(=C(C=C1Br)C)OCC(=O)NN2C=NN=C2 1 1.789 4 2 0 -4.72563380310455 1253767 CN1C(=NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 3.558 5 2 0 -1.69585890306646 1253744 C1=CC=C(C=C1)OC2=NN=NN2C3=CC=C(C=C3)C(=O)N 1 1.821 5 2 0 -10.1795950670184 1253736 CC(C)NC(=O)C1=CC=C(O1)C2=C(C=CC(=C2)C(F)(F)F)Cl 1 4.576 1 2 -0.65320808581506 1253719 COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCC(CC2)C(=O)N)OC 1 2.345 3 5 0 -18.7896176601615 1253709 CN(C)C1=NC(=NC(=N1)N)CSC2=CC=CC=N2 1 1.185 6 0 0 -5.47999663729687 1253706 COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=N3)OC 1 3.888 4 4 0 -15.6644856199374 1253690 C1=CC=C(C=C1)C(=O)C2=CC=C(O2)CN3C(=O)C4=CC=CC=C4C3=O 1 3.323 1 4 -4.43703085358718 1253683 CC1=NC=C(C(=N1)N)CSC2=NN=NN2C3=CC=CC=C3 1 1.353 7 0 0 -17.855177787609 1253672 CC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.994 2 6 0 -23.2337409134281 1253670 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O 1 1.444 3 7 0 -13.138753322391 1253667 C1=CC=C(C=C1)CN2C(=NN=C2SC3=NN=NN3C4=CC=CC=C4)C5=CC=CC=C5 1 4.997 7 0 0 -13.3253069240383 1253647 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(S4)N=C6C=CC=CN6C5=O 1 2.138 4 4 0 -14.001831892305 1253646 CCN1C2=C(C=C(C(=C2)C)S(=O)(=O)N)N(C1=O)CC 1 0.993 3 3 0 -7.9161909382429 1253634 CCOC1=CC=CC=C1NC(=O)CN(C)S(=O)(=O)C2=CC(=C(C=C2)OC)C 1 2.385 2 5 0 -14.5043074019135 1253633 CC1=CC=CC=C1N2C(=CC(=O)NC2=S)N 1 2.556 3 1 -6.35503956867891 1253604 CN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)N=C1CN4CCCC4 1 2.972 5 1 0.681738792163597 1253526 CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)N(C1=O)CC 1 2.57 3 3 -17.0224052319902 1253521 COC1=CC=CC2=CC(=C(C=C21)OC)C(=O)O 1 2.335 0 4 -1.09824161525714 1253511 COC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCN(CC2)C3=CC=CC=C3 1 4.327 3 2 2.00815752861309 1253503 CC(=O)OC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.12 2 4 -10.17982480365 1253498 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3)Cl 1 5.405 3 2 -7.61182924575725 1253482 CN1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3 1 2.569 3 2 -2.9885491584678 1253477 CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC4=C(C=C3)N(C(=O)N4C)C)C 1 2.877 3 6 0 -6.55419149011107 1253460 CCC1=C(N=C(S1)NC(=O)CN2CCOCC2)C3=CC=CC=C3 1 2.4 3 2 -4.38464474474929 1253448 CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 1.505 3 4 0 -19.9397745186923 1253444 CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)C)N 1 1.778 3 2 0 -6.72200942309358 1253433 CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)C 1 4.161 2 1 -4.38988166824725 1253429 COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2CC2)C3CCCCC3)Cl 1 3.002 2 4 -17.0841079978877 1253427 C1=CN2C(=C(C=N2)C(=O)NCC3=CC=CS3)N=C1 1 0.634 4 1 0 -11.9834568185536 1253419 C1CCN(CC1)C2(CCN(CC2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C(=O)N 1 3.026 4 2 -7.18188821513354 1253418 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=NON=C3N 1 2.259 4 2 -15.580252689279 1253408 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4 1 4.565 4 2 -7.27027861870618 1253407 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CN=C(C=C2)C)OC(=O)C3=CC=C(C=C3)F 1 3.785 3 4 0 -15.2635619235842 1253404 CC1=NC=C(C=C1)C(=O)NN=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4 1 3.898 4 1 -8.98176418273628 1253402 CC1=NC=C(C=C1)C(=O)NN=CC2=CC3=C(C=C2Br)OCO3 1 2.331 3 3 -8.96040701952213 1253399 C1=CC(=CN=C1)NC(=O)C2=C3N=CC=CN3N=C2 1 -0.263 5 1 0 -6.2532436457045 1253396 COC1=C(C=CC(=C1)C=NNC(=O)C2=CN=CC=C2)OC(=O)C3=CC=CO3 1 2.343 3 5 0 -12.8790707691349 1253395 COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCOCC2)OC 1 2.558 2 5 0 -20.4664956263035 1253393 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2 1 0.382 3 3 0 -13.3596582433458 1253390 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=CC=N2)OC(=O)C3=CC=CS3 1 3.33 3 4 0 -15.9152883738556 1253389 CCS(=O)(=O)NC1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC 1 2.763 2 6 0 -9.57275870724017 1253380 CC1=NC(=C(S1)CC(=O)O)C2=C(C=CC(=C2)OC)OC 1 2.416 1 4 -4.26992844427801 1253361 CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C)C 1 2.564 3 3 -7.46462332716167 1253334 CCN(CC)CCOC1=CC2=C(C=C1)C(=C(N2C)C)C(=O)OCC 1 3.499 2 3 -3.54758372121946 1253329 CC1=CC(=C(C=C1)C)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)NC(=O)N4 1 2.421 5 2 0 -10.973404618763 1253326 COC1=CC2=C(C=C1)N(CCC2)C(=O)N 1 1.46 2 2 0 -4.96495205511807 1253325 CC(C)NC(=O)C1=CC=C(O1)C2=CC(=C(C=C2)Cl)C(F)(F)F 1 4.576 1 2 -4.87809393353507 1253322 C1=CC=C(C(=C1)CN2C=CC(=O)C=C2)Cl 1 2.133 1 1 0.924435511291438 1253300 CCOC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CCN(CC3)C(=O)C)C 1 1.147 5 3 0 -3.01221237976898 1253298 COC1=CC=CC=C1OC2=NC(=NN2CC(=O)N)[N+](=O)[O-] 1 1.15 5 5 0 -7.45332264206209 1253291 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3Cl)F)F 1 3.268 2 3 -15.990896254898 1253275 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O 1 2.817 1 5 -8.02349843371487 1253267 CC(=O)NCCC1=NC2=C(N1C)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3 1 1.607 4 3 0 -8.08768507379071 1253265 CCN1C=NC2=C1C=CC(=C2)NCC3=NC4=CC=CC=C4N3C 1 3.207 5 0 -1.42503221357896 1253256 CCCC(=O)NC1=C(C=CC(=C1)Cl)N2CCN(CC2)C(=O)CC 1 2.783 3 2 -11.7143689508314 1253251 COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(O2)C3=CC=CC=C3F 1 3.88 1 4 -6.75854000900129 1253238 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 3.776 4 4 0 -15.1800788525707 1253234 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3C(F)(F)F 1 2.197 2 5 0 -21.5242626568717 1253213 CC1=CC(=NC2=NC(=NN12)SCC(=O)C3=CC=CS3)C 1 3.077 4 1 -12.9937361546917 1253212 COC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 1.516 2 4 0 -13.3639928831466 1253207 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 1.3 2 5 0 -12.5320227801617 1253200 CC1=C(C(=O)N2C(=N1)N=C(N2)CC3=CC=CC=C3)CC4=CC=CC=C4 1 2.796 4 1 -6.91894533188992 1253197 CC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)NC4=CC=CC=C4C 1 5.099 2 5 0 -22.2165071511589 1253189 COC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC3=CC=CC=N3 1 1.808 6 2 0 -21.9486403409429 1253188 CC1=CC(=NC(=N1)NC(=O)NC(=O)C2=C(C=CC(=C2OC)Cl)Cl)C 1 3.014 4 3 0 -4.48215890088433 1253185 CC1=CC=CC=C1NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCCCC3 1 3.088 2 3 -16.4038033278708 1253160 CN(CC(=O)NC1CCCC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 2.056 2 4 -15.4350128212553 1253159 C1=CC=C(C=C1)CCC(=O)NC(=S)NCC2=CC=CO2 1 3.168 2 2 -13.0982965026295 1253143 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 1.545 5 2 0 -4.41965520055871 1253141 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CN=CC=C3 1 2.81 2 4 -17.6384229539436 1253137 CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CO3 1 2.089 2 4 -26.6740953562046 1253120 CCN(CC)CCN1C2=CC=CC=C2N=C1NCC3=NC4=CC=CC=C4N3CC5=CC=CC=C5 1 5.347 6 0 -7.64187070296743 1253111 CC1=CC(=NC2=NC(=NN12)CCC3=CC=CC=C3)C 1 2.916 4 0 -8.3770570526368 1253105 C1=CC(=CC=C1C2=CC3=C(C=C(C=C3)OCC(=O)N)OC2=O)F 1 2.421 1 4 -0.954782457463048 1253088 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.65 3 3 -16.8126274875884 1253074 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C(O3)C4=CC(=CC=C4)Cl 1 2.606 5 3 0 -18.4058677423781 1253057 CC1=C(C=CC(=C1)N(CC(=O)NC2CC2)S(=O)(=O)C)Br 1 1.731 2 3 0 -15.2099528281372 1253042 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.172 3 4 0 -12.6010623565219 1253040 CCOC(=O)N1CCN(CC1)C2=NN=NN2C3=CC=CC=C3 1 1.009 6 2 0 -8.59341672745475 1252906 CCOC1=CC=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.014 2 5 0 -15.3839438124932 1252955 C1CCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=C(C=C3)F 1 2.807 2 3 -13.2175433211907 1252935 CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2NC(=O)C)OCCO3 1 2.626 1 4 -9.16276497238268 1252933 CC(=O)N1C=C(C(=N1)C2=CC=CC=C2)/C=C\3/C(=O)N(C(=NC)S3)C 1 2.789 4 2 -0.509458711638484 1252931 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F 1 1.99 3 3 0 -4.24149125458146 1252926 CC1=C(C=CC=C1Cl)C2=CC=C(O2)/C=C/3\C(=O)N(C(=NC)S3)C 1 4.764 2 2 3.83679579895665e-002 1252922 C1CC1NC(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.804 2 3 -14.2911283240982 1252889 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCCC2 1 2.389 2 5 0 -17.010029017346 1252875 CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2=CC=CO2 1 2.22 2 3 -9.34047581442186 1252856 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C 1 1.26 3 4 0 -12.8435140131971 1252850 CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CSC3=NC=CC=N3 1 3.968 3 1 -12.3647527478204 1252847 C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=N3)C(=O)NCC4=CN=CC=C4 1 2.757 4 1 -4.15505579615458 1252842 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.922 3 3 -16.1761809050213 1252823 C1=CSC(=C1)C2=NC3=NC(=NN3C(=C2)C(F)(F)F)N 1 3.286 5 0 -4.68232318725379 1252800 C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC(=O)NC3=CC=CC=N3 1 2.227 4 2 -13.9865881232206 1252786 C1CCC(CC1)N2CCN(CC2)CCCN3C(=O)C4=CC=CC=C4NC3=S 1 4.158 4 1 -2.37604974424331 1252782 C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)F 1 5.049 1 4 -6.91723400838578 1252775 CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.037 3 3 -6.9629237127559 1252753 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)CC(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.271 5 3 0 -15.0427853337066 1252743 CC1=C(C(=NC2=NC(=NN12)C3=CC=CC=C3)C)Cl 1 3.09 4 0 0.376905528663444 1252734 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl 1 4.603 3 2 7.24752127187937 1252733 C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O 1 4.301 1 4 -9.43677738009615 1252672 CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C 1 2.964 2 3 -11.6610087566375 1252674 CC(=O)NC1=NC(=C(S1)C2=CC=CC=C2)C3=CC=C(C=C3)OC 1 3.687 2 2 2.37244334259517 1252680 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCCC3 1 4.472 3 3 -9.44742980098858 1252713 CS(=O)(=O)N(CC(=O)O)C1=CC2=C(C=C1)OCO2 1 0.196 1 6 0 -11.7635503813888 1252702 CC(C)NC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)NC3=CC=CC=C3 1 1.979 6 2 0 -14.8171356436002 1252701 CCOC1=C(C=C(C=C1)C(=S)NC2CCCCC2)OC 1 4.306 1 2 -9.56273633130581 1252694 CC1=CC(=NC(=N1)SCC(=O)NC2=NN=C(CS2)C3=CC=C(C=C3)Br)C 1 4.045 5 1 -12.1427009498057 1252692 CCN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.599 2 3 -12.6275179264071 1252684 C1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC3=CC=CC=C3S2 1 2.617 2 3 -7.01617093861051 1252665 CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4 1 3.345 6 2 0 -11.0969955500975 1252650 CC1=CC=CC=C1NC(=O)CSC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4 1 4.091 6 1 0 -11.0907244029687 1252644 C1CCN(CC1)C2=NC(=NC(=N2)SCC3=CC=CC=C3C#N)N4CCCCC4 1 4.431 6 0 -7.01171122868569 1252622 CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=C(C=C4)OC 1 2.942 5 2 0 -12.4016693679838 1252616 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F 1 2.458 4 4 0 -23.8723221710785 1252612 CCN1CCN2C1=NC(=NC2=O)N3CCOCC3 1 0.333 5 2 0 -9.17873225926275 1252604 COC1=C(C=C(C=C1)C(CC(=O)OC)C2=CC(=C(C=C2)OC)OC)OC 1 3.394 0 6 -9.14041190086639 1252599 COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.953 2 7 0 -4.66476524071543 1252595 CCC1=C(NC(=NC1=O)SCC(=O)NC2=CC(=CC=C2)Br)C 1 3.255 3 2 -15.4438649513024 1252589 C1COC2=C(O1)C=CC(=C2)C=NNS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.836 2 4 -1.96996445637831 1252576 C1CCN(CC1)C2(CCN(CC2)CC(=O)NC3=CC=CC=C3C4=CC=CC=C4)C(=O)N 1 2.426 4 2 -1.55677251595271 1252563 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 1.784 3 3 0 -5.07600579623776 1252558 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCOCC2 1 2.446 2 5 0 -19.9066549419187 1252554 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC4=C(C=C3)N(C(=N4)CN5CCCC5)C 1 2.125 6 2 0 -5.84248386006567 1252551 COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3 1 3.558 5 2 0 -16.7581468122371 1252535 COC1=CC=CC=C1NC(=O)C2=CC=CC=C2NS(=O)(=O)N3CCCC3 1 1.561 3 4 0 -11.2729271901116 1252532 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NCC4=CC=C(S4)C 1 3.478 5 0 -2.00551487776923 1252531 CC1=C(C2=C(C=C1)N3C(=O)C(=CC4=CC=C(O4)C5=CC=CC=C5C(=O)O)SC3=N2)C 1 5.809 2 4 -6.52056222434426 1252530 CCOC(=O)N1CCN(CC1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4 1 2.997 5 3 0 -15.3899068683682 1252523 CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3Br 1 4.568 2 1 -12.8579737092965 1252509 CCN1CCN(CC1)C(=O)CN(CC)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.532 3 3 0 -11.2588381517821 1252507 C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3N=N2)Cl 1 4.08 3 1 -16.080270845305 1252494 CN(C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2SC)S(=O)(=O)C 1 2.273 2 3 -13.8080506435702 1252473 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)OCC(=O)NCC4=CC=CC=N4)Cl 1 2.954 3 4 0 -25.372097944154 1252468 C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)N4CCC5=CC=CC=C54)CC6=CC=CO6 1 4.632 3 3 -33.3185466217406 1252435 CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 0.189 3 7 0 -14.6716303170866 1252434 CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)O 1 2.512 2 3 -10.796153004714 1252432 COC1=CC=C(C=C1)CNC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.474 2 5 0 -23.2071601321114 1252428 C=CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CO4 1 2.935 5 2 0 -12.6001524264619 1252423 CC1=CC2=C(C=C1)OC=C2CC(=O)NC3=C(C=CC(=C3)OC)OC 1 3.406 1 4 -5.0443961599912 1252422 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)CCNC(=O)C3=CC=CC=C3F 1 2.763 5 2 0 -24.4081899433236 1252416 COC1=CC(=CC(=C1)C(=O)NCC2=NC(=NO2)C3=CC=CC=C3)OC 1 2.172 3 4 0 -5.40349483531382 1252412 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C(/C#N)\C3=CC(=CC=C3)F 1 3.877 3 0 -7.96357772779373 1252378 CC1=C(C=CC(=C1)Br)NC(=O)CCSC2=CC=CC=C2 1 4.491 1 1 -7.85033723249704 1252365 CN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1CN4CCCC4 1 3.526 4 1 3.74167783782944 1252362 COC1=CC=C(C=C1)N2C3=C(CCCC3)C(=S)N=C2C4=CC(=CC=C4)OC 1 5.134 2 2 -6.08140957653075 1252360 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 1.149 3 7 0 -22.718796724752 1252359 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)C3=CC4=C(C=C3)OCO4 1 0.453 3 7 0 -22.5772353728854 1252358 C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3Cl 1 4.105 2 2 -3.08227049058501 1252336 COC1=C(C=CC(=C1)CO)OC2=NN=NN2C3=CC=C(C=C3)C(=O)N 1 1.2 5 4 0 -14.0405296431088 1252334 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC4=C(C=C3)OCO4)Cl 1 2.46 2 6 0 -21.1312166860468 1252314 CC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NS(=O)(=O)C 1 -5.4e-002 5 3 0 -3.81355585368564 1252310 C1CC1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.806 3 3 0 -24.2880094120512 1252302 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=C(S3)N=C5C=CC=CN5C4=O 1 1.293 5 3 0 -24.3398042215785 1252301 CC1=CC(=NO1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 2.243 3 4 0 -27.8544325649062 1252284 CC(=O)NCCC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=CC=C3 1 1.904 4 2 0 -10.040845711292 1252265 CC1=CC(=NC2=NC(=NN12)SCC(=O)NC3=CC=CC=C3)C 1 2.505 5 1 -14.209736349037 1252260 CC(C)COC(=O)NC1=CC(=C(C=C1)OC)OC 1 2.752 1 4 -9.62474690624159 1252235 CCN(CC)C1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C=N3)C(C)(C)C 1 4.734 4 0 -5.69419261970667 1252212 CN1CCN(CC1)C(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 2.828 3 4 0 -16.1411628016591 1252207 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 2.421 3 4 0 -14.4921769048717 1252205 C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCOCC3)NC(=O)C4=CC=CS4 1 2.293 3 3 -11.8867090363846 1252204 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 1.311 2 5 0 -12.1906014165345 1252182 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCOCC4 1 3.129 2 3 -7.33725867673659 1252181 CC1=C(C=C(C=C1)NC(=S)N(C)N)Cl 1 3.099 3 0 -3.88847440526474 1252163 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)F 1 2.114 2 3 -10.1239011066608 1252154 COC1=CC=CC=C1NC(=O)C2=CC=C(O2)C3=CC=CC=C3F 1 4.008 1 3 -3.18289654301693 1252141 CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl)N=C1CN4CCCC4 1 3.563 4 2 0.705743805080122 1252137 CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=CC=CC=C4)N(C1=O)CC 1 3.12 3 3 -12.0567037247374 1252133 CC1=CC(=NC2=C(C=CC(=C12)OC)OC)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl 1 4.096 3 3 -1.20028246302072 1252124 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C(C)C)C(=O)CC3=CC=CC=C3 1 3.658 3 2 -2.83996442715278 1252123 COC(=O)NC1=NC=C(S1)CN2C(=O)C3=CC=CC=C3C2=O 1 1.284 3 4 0 -4.39895057478145 1252113 COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=C(N3)C(=NC=N4)N 1 1.517 7 2 0 -7.63388879608288 1252109 CSC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl 1 3.373 2 3 1.75748187181586 1252104 CC1CCN(CC1)C(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 1.149 2 5 0 -17.0798104923425 1252103 CC1=CC=CC(=C1)C(=O)NC2=NC=C(S2)CN3CCOCC3 1 1.937 3 2 0 -5.06566996384382 1252095 COC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2O)OC 1 2.339 1 4 -4.71721731722919 1252089 C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC(=O)NC4=CC=CC=C43 1 2.512 5 2 0 -16.2497967960488 1252084 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)NC(=O)C4=CN=CC=C4)Cl 1 3.676 2 3 -2.82043544811947 1252054 CCN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3C#N)C)C)N(C1=O)CC 1 3.141 4 3 0 -10.843925467352 1252042 COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)O)C(F)(F)F 1 5.628 2 3 -4.19847547165561 1252030 CC1=CC(=NN1CC(=O)NC2=CN=CC=C2)NC(=O)C3=C4N=CC=CN4N=C3 1 -0.292 8 2 0 -14.1254840720534 1252029 CC(=O)OCC(=O)NC1=CC(=C(C(=C1)OC)OC)OC 1 0.608 1 6 0 -11.207917085984 1252027 CC1=CC(=C(C=C1)C(C)C)OC2=NN=NN2C3=CC=CC=C3 1 4.499 4 1 -5.16621613776038 1252026 C1CCN(C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F 1 1.783 3 3 0 -7.25983442619318 1252016 C1=CN2C(=C(C=N2)C(=O)NCC3=CC=CO3)N=C1 1 7.6e-002 4 2 0 -11.288691650919 1252004 C1CN2C3=NC4=CC=CC=C4C3=NN=C2SC1 1 2.433 4 0 -5.66565500772704 1252003 CC1=CC(=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2O)C 1 4.004 3 2 -5.32374424607846 1252000 C1=CC=C(C=C1)SCCC(=O)NC2=NC=CS2 1 2.253 2 1 -7.32657418508295 1251997 CCN1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C(F)(F)F 1 3.569 5 1 -10.5986847255853 1251996 CC1=C(C=C(C=C1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C 1 2.411 4 3 0 -9.0006689363637 1251970 C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4F 1 4.122 2 2 -11.4942984091171 1251957 COC1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)Br)N 1 0.987 3 3 0 -3.38456248443374 1251952 CC1=C(C=CC=C1F)NS(=O)(=O)C2=CC=CC=C2C#N 1 2.888 2 2 -4.03353722852752 1251939 C1C(=O)N(C2=NC3=CC=CC=C3N21)C4=CC=CC=C4F 1 2.887 3 1 -6.5373237379593e-002 1251929 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC(=O)N2CCCC2)C3=CC=CC=C3 1 2.72 2 4 -13.6483617687869 1251920 CC1=CC(=O)N=C(N1)SCC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 2.548 4 2 -14.5951138793644 1251916 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 1.34 3 5 0 -16.1810691534725 1251861 CC1=CC(=NC(=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)C)C 1 1.632 3 3 0 -9.83847065893115 1251870 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)N=C1CN4CCOCC4 1 2.496 4 2 -2.83641402555181 1251891 CC1=C(C2=NSN=C2C=C1)NS(=O)(=O)C3=CC(=C(C=C3)F)C 1 3.623 3 2 -3.0657107137106 1251851 C1COCCN1C(=O)C2=CC=CC=C2OC3=CC=C(C=C3)[N+](=O)[O-] 1 2.386 2 5 0 -8.4495788560945 1251850 CC1=CC(=CC(=C1)OCC(=O)NCC2=NC(=NO2)C3=CC=CC=C3)C 1 3.012 3 3 -4.24821132856163 1251844 CCOC1=C(C=C(C=C1)N2C=NN=N2)S(=O)(=O)NCC3=CC=CC=C3 1 1.543 5 3 0 -17.1968452466685 1251843 CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4 1 1.673 2 6 0 -22.8174282887357 1251838 C1=CC=C(C(=C1)C2=NOC(=N2)CCC(=O)NCC3=CC=CO3)Cl 1 2.334 3 3 -15.0852502955054 1251793 C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=CC=CC=C3Cl)NC4=CC=CC=C4 1 3.494 6 2 0 -10.1962311181118 1251791 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC=CO3)Cl 1 1.881 2 5 0 -24.1326189740163 1251781 C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)N3 1 1.075 4 5 0 -12.2424470316864 1251780 CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CCNC(=O)C4=CC=CC=C4F 1 2.437 6 2 0 -22.3092663010647 1251773 C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)Br 1 1.794 3 2 0 -14.210639354259 1251743 C1CCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 2.232 2 5 0 -17.3502428125954 1251735 COC(=O)C1=CC(=NN1CC2=CC=C(C=C2)Br)C(=O)OC 1 3.242 2 4 -6.81981221678136 1251734 CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C\3/C(=O)N=C(S3)N 1 3.164 3 1 -3.79279476844423 1251729 C1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)C3=CC=C(C=C3)F 1 4.032 1 2 -2.02939302777213 1251727 C1CCN(C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3 1 1.905 3 3 0 -11.6398778884011 1251722 CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 4.554 1 6 0 -17.5355976795803 1251717 CCN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)C(=O)N(C1=O)CC 1 2.168 3 4 0 -8.15715967588 1251714 CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C(=O)C5=CC=C(C=C5)F)C 1 3.655 6 1 0 -5.23508073037135 1251696 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 5.011 2 4 -2.1266808574973 1251695 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC=CO2 1 0.714 2 4 0 -12.9902555174791 1251694 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O)Cl 1 3.399 2 5 0 -19.1072716300387 1251688 CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C(=O)C5=CC=C(C=C5)Cl)C 1 4.114 6 1 0 -4.12495906524979 1251687 CN1C(=NN=N1)NCC2=C(C=CC=C2Cl)F 1 1.471 5 0 0 -13.5826175800666 1251686 COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCN3CCOCC3)OC 1 1.998 3 4 0 -8.770218764454 1251663 C1=CC=C(C=C1)C2=NOC(=N2)CNC(=O)C3=CC=C(O3)Br 1 2.168 3 3 -3.75050679171757 1251635 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)NC3CCCCC3 1 4.047 2 2 -7.55258669803975 1251634 C1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 3.233 4 1 -16.8959315104786 1251632 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C)S(=O)(=O)NCC5=CC=CC=C5 1 3.95 5 2 0 -8.52591789142542 1251631 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C(=CC(=N3)C)C)C#N 1 5.289 3 4 0 -11.6310154877443 1251619 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)N=C1CN4CCCCC4 1 3.887 4 2 3.63306280131622 1251612 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=CS5 1 3.064 5 3 0 -14.7231140174386 1251604 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=CC=C3C(=O)OC 1 3.648 2 4 -9.11126327855486 1251601 CC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)S(=O)(=O)NC3=CC=CC=C3C 1 3.263 2 4 -15.4221676562754 1251600 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)Cl 1 4.54 2 3 -10.7304654674148 1251584 C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)C4=CC=C(C=C4)Cl 1 4.388 3 1 1.03879929687295 1251582 COCC1=NN=C(S1)NC(=O)CCSC2=CC=CC=C2 1 1.727 3 2 0 -12.290403536625 1251575 COC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)N3CCOCC3)N4CCCCC4 1 2.613 5 4 0 -5.43897933303056 1251567 CC1=CN=C(N=C1)SCC2=CN=C(N=C2N)C 1 1.153 5 0 0 -6.43608390359721 1251558 CCOC1=C(C=C(C=C1)N2C=NN=N2)S(=O)(=O)NC3=C(C=CC=C3C)C 1 2.509 5 3 0 -16.8076651775194 1251550 CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])COC3=CC=CC=C3 1 3.394 4 4 0 -12.1363317253792 1251544 COC(=O)C1=CC(=NN1CC2=CC=C(C=C2)F)C(=O)OC 1 2.699 2 4 -6.47327413680149 1251540 C1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)C3=CC=C(C=C3)F 1 4.353 1 2 -1.30447546756756 1251530 C1=CC2=C(C(=C1)OC3=NN=NN3C4=CC=C(C=C4)C(=O)O)N=CC=C2 1 2.634 5 3 0 -10.7730613499623 1251528 COC1=CC=C(C=C1)C2=CSC(=N2)N3CCC(CC3)(C(=O)N)N4CCCCC4 1 2.251 4 2 -1.14596166285811 1251524 CC1=CC=C(C=C1)C(=O)N2CCSCC2 1 2.162 1 1 -4.15766954481419 1251521 C1CCC(CC1)NC(=S)NNC(=O)C2=CC=CC=C2Cl 1 3.942 3 1 -10.5030707790833 1251518 COC1=C(C=C(C=C1)CCNC(=O)C2=NOC(=C2)C3=CC=CC=C3)OC 1 3.602 2 4 -9.66614133259756 1251517 C1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2S(=O)(=O)CC(=O)N 1 0.655 4 4 0 -14.0584872456856 1251515 CCC(=O)NC1=CC=C(C=C1)OC2=CC(=C(C=C2)NC(=O)CC)NC(=O)CC 1 2.752 3 4 0 -4.69225137508779 1251511 COC1=CC=CC=C1NC(=O)CSCC(=O)N 1 0.269 2 3 0 -12.5386791949777 1251510 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C 1 2.992 3 3 -6.19171119100403 1251509 CCCN1C2=C(C=C(C1=NC(=O)C3=CC=CO3)C(=O)OCC)C(=O)N4C=CC=CC4=N2 1 2.172 4 5 0 -18.1021800953511 1251508 CC(C)CNC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)OC 1 1.515 5 3 0 -13.9880030433221 1251504 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C4N=CC=CN4N=C3 1 0.655 4 3 0 -8.58452421995828 1251501 C1CCC(CC1)CC(=O)NCC2=NC(=NO2)C3=CC=CC=C3 1 2.912 3 2 -8.68222920155038 1251500 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=CC=CC=C4)C(=O)N(C1=O)C 1 2.294 3 4 0 -18.3029695435197 1251498 CCOC(=O)C1=NN(C(=C1)OC(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.245 2 4 -6.55837638894898 1251489 CC1=CC(=NC2=NC(=NN12)SCC(=O)C3=CC(=C(C=C3)OC)OC)C 1 3.091 4 3 0 -13.9050667340647 1251487 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)SC 1 3.352 1 2 0.437228430697635 1251486 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C)S(=O)(=O)NCC5=CC=CO5 1 3.131 5 3 0 -11.0218266770425 1251485 C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)CC#N 1 1.813 3 3 0 -12.8873969960057 1251479 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)C(=O)OC3)F 1 2.618 1 4 -6.02075635114948 1251473 C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.158 3 3 -21.9552201963988 1251466 CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.287 2 5 0 -13.8200125743752 1251421 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=O)C3=CC(=C(C=C3)OC)OC 1 1.88 3 4 0 -14.9878628955747 1251410 COC1=CC=CC(=C1)C2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-] 1 3.158 2 4 9.09297639435429 1251405 C1CCC2=C(C1)C=CC(=C2)CC(=O)NC3=CC=CC=C3Cl 1 4.827 1 1 -6.20291984064033 1251375 CCC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CN=CC=C3 1 2.228 3 2 -19.9707954852579 1251362 CC1=C(C=CC=C1NC(=O)C2=CC=C(O2)Br)C(=O)NC3=CC=CC=C3C(=O)OC 1 3.704 2 5 0 -12.0132967120669 1251353 COC1=CC2=C(C=C1)NC=C2CCNC(=O)NC3=CC=CC=C3 1 3.128 3 2 -7.74134472604065 1251350 CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C 1 5.606 2 3 -6.83423780219575 1251346 C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=CC=C(C=C3)Br 1 4.164 3 1 -15.3653642909089 1251345 COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NN=N4 1 1.671 6 1 0 -4.46836444703982 1251343 C1COCCN1C(=O)C2=CC(=C(C=C2)SCC3=CC=CO3)[N+](=O)[O-] 1 2.133 2 5 0 -12.419588586956 1251341 C1=CC(=CC=C1C(=O)C2=CC=NC=C2)NS(=O)(=O)C3=CC=C(S3)Br 1 2.925 2 3 -2.98595081506278 1251333 CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CNC(=O)CC3=CC=C(C=C3)OC 1 2.726 4 4 0 -17.9175489032302 1251327 CCN(CC)C(=O)CN1C=NC(=N1)[N+](=O)[O-] 1 0.174 5 3 0 -14.4480066698922 1251301 C1=CC=C(C=C1)C2=C(SC(=N2)NC3=CC=CC=C3F)C(=O)NC4=CN=CC=C4 1 3.817 4 1 -0.896734070927983 1251288 CC1=CC(=NO1)NC(=O)C2=C3N=CC=CN3N=C2 1 2.6e-002 5 2 0 -14.6019150758476 1251286 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)F 1 2.761 3 3 -8.82854058721398e-002 1251269 CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=C(C=C3)OC 1 3.577 4 4 0 -12.1778388866291 1251267 C1CN(CCN1CC2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-])C4=CC=CC=C4 1 3.371 4 3 0 3.49893695218262 1251266 COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.193 4 4 0 -16.5343163308824 1251220 CCOC(=O)C1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)CN3CCOCC3)C)C(=O)OCC 1 2.839 2 6 0 -13.7371700862843 1251215 CCN(CC)CC(=O)NC1=C(C(=CS1)C2=CC=CS2)C(=O)OCC 1 3.116 2 3 -11.8644163398718 1251205 CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=S)NC(=O)N(C)C 1 3.353 3 4 0 -7.3729992728965 1251203 CCC1=C(C(=C(S1)NC(=O)C2=CC=CS2)C(=O)OCC)C3=CC=CS3 1 4.843 1 3 -11.3465260080605 1251198 COC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)CC3=CC=CC4=CC=CC=C43 1 4.476 1 4 -4.18179235160897 1251184 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CNCC3=CC=CO3 1 2.678 2 5 0 -8.03293578817893 1251122 CC(C)(C)NC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)NC3=CC=CC=C3Cl 1 2.848 6 2 0 -14.9619392973122 1251125 CC1=CC(=NN1CC(=O)NCC2=CC=CO2)NC(=O)CC3=CC=CS3 1 1.762 4 3 0 -23.50940225754 1251126 CC1=CC(=NN1CC(=O)NCC2=CC=CO2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.141 4 4 0 -19.0785600967768 1251127 CC1(CC2=C(CO1)C(=S)N=C(N2CCN3CCOCC3)C4=CC=C(C=C4)OC)C 1 2.224 3 3 -11.7775610587255 1251136 CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3=CC=CS3 1 3.098 1 4 -21.9499219722783 1251150 COC(=O)CN(C1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC=CC=C3 1 2.016 1 6 0 -15.6514507995466 1251093 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NCC2=CC(=C(C=C2)OC)OC 1 4.084 2 3 -12.4383699328601 1251079 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4 1 2.307 6 2 0 -17.3150962476459 1251073 C1COCCN1C(=O)C2=CC=CC=C2OC3=NN=NN3C4=CC=C(C=C4)C(=O)N 1 0.922 6 4 0 -18.9452327562308 1251070 C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=NN3C4=CC=CC5=CC=CC=C54)Cl 1 3.859 6 2 0 -18.1172480962408 1251068 C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)NCC3=CC=CC(=C3)C(=O)O)Cl 1 3.515 4 3 0 -11.145097689899 1251065 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)F 1 1.735 7 2 0 -30.4832144570905 1251055 C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C4=CC=CC(=C4)C(=O)O 1 3.685 5 3 0 -26.9543553127786 1251032 C1=CC=C(C=C1)CCN2C=NC3=C2C=CC(=C3)[N+](=O)[O-] 1 3.35 3 2 -4.60481162788098 1251018 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC3=C(C=CC=C3Cl)F 1 2.977 3 2 -22.6438643652343 1251011 CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2C)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.212 4 5 0 -15.7017578245019 1250995 CC(C)NC(=O)C1=CC=CC=C1NC(=O)CC2=CC=C(C=C2)Br 1 3.332 2 2 -16.6324155999003 1250985 CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=N3 1 3.254 5 1 -17.1610162806167 1250965 C1CCN(C1)C(=O)C2=CC=CC=C2C3=NC(=NO3)C4=CC=C(C=C4)Cl 1 3.684 3 2 1.43937173553214 1250959 CCOC(=O)CSC1=NC2=CC=CC=C2N3C1=NN=C3 1 2.377 4 2 -9.74364949633409 1250946 CN(C1=CC=CC=C1N(C)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.217 2 4 -8.14557032055319 1250941 COC1=CC(=CC(=C1OC(=O)CC2=CC=CC=C2)OC)C(=S)N3CCOCC3 1 3.789 1 5 -13.2957336166825 1250934 CCC(=O)OC1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 2.444 1 4 -8.40237553393479 1250933 C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)COC5=CC=CC=C5 1 4.335 5 2 0 -13.0860889860519 1250928 CC1=NC(=O)C2=C(N1)C=CC(=C2)N(C(=O)C)C(=O)C 1 -6.1e-002 3 3 0 -7.75873243332368 1250927 CC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C 1 1.962 4 3 0 -19.5443787930899 1250915 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.293 4 3 0 -0.5586929133676 1250910 CCN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C3=CC=CC=C3)CC4=CC=CC=C4 1 3.827 6 1 0 -18.3990911822144 1250898 CN1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.242 3 1 -0.768933999501088 1250885 C1C(=O)N(C2=NC3=CC=CC=C3N21)C4=CC=CC(=C4)C(F)(F)F 1 3.624 3 1 3.99327335684097 1250884 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=C4N=CC=CN4N=C3 1 -0.207 5 3 0 -7.20694673927412 1250874 C1COCCN1C(=O)C2=CC(=CC=C2)N3C=NN=N3 1 -0.182 5 2 0 -18.5903956285642 1250844 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)N=C1CN4CCOCC4 1 2.955 4 2 -3.7933651406879 1250839 CC1=CC=CC=C1C(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4 1 4.144 3 2 -10.1445531910269 1250834 CC1=CC=CC(=C1NC(=O)CC2=CC=CC3=CC=CC=C32)C(=O)O 1 3.673 1 3 -7.11482274762094 1250831 C1=CC=C(C=C1)CCNC(=S)NC2=C(C=C(C=C2)Br)F 1 5.37 2 0 -5.61232247797282 1250810 C1COCCN1CC(=O)NC2=NC=C(C=C2)Cl 1 0.697 3 2 0 -5.41739207963643 1250795 CN1C2=CC(=C(C=C2N(C1=O)C)Br)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.532 4 4 0 -13.0791920492744 1250783 C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=CC=C2)Br 1 4.022 3 1 -6.04664112061055 1250782 CCOC(=O)NC1=CC=C(C=C1)OCC2=NN=C3N2N=C(C4=CC=CC=C43)C 1 2.916 5 3 0 -9.88225262185837 1250764 COC1=C(C(=CC(=C1)Br)CNC2=CC(=C(C=C2)F)[N+](=O)[O-])O 1 3.812 2 4 2.48993021633029 1250749 CC1=C(C=C(C=C1)N2C(=C(C(=O)NC2=O)Br)N)C 1 1.976 3 2 0 -2.85681681955903 1250728 CN1C=CN=C1SCC2=CC(=O)NC3=CC=CC=C32 1 1.972 3 1 0 -9.09107219786275 1250725 C1=CC(=C(C=C1CN2C=C(C=N2)Br)Cl)Cl 1 4.14 2 0 2.68105704985951e-002 1250718 CC(C)NC(=O)C1=CC=CC=C1NC(=O)CC2=CC=C(C=C2)Cl 1 3.248 2 2 -15.1757558547989 1250699 COC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)(C(=O)N)N3CCCCC3 1 0.891 4 3 0 -6.64225969051251 1250695 C1=CC=C(C=C1)CCC2=NC(=NN2)N3C(=O)C4=CC=CC=C4C3=O 1 3.136 4 2 -4.56467621124736 1250694 CN1C2=CC(=C(C=C2N(C1=O)C)Br)NC(=O)C3=CC=C(C=C3)F 1 2.843 3 2 -8.79721194315285 1250690 CCC1=NN=C(S1)NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)C(F)(F)F)Cl 1 4.827 3 2 -1.78295623792836 1250683 CC(=NNC1=NC(=O)CS1)C2=CC=CS2 1 1.885 3 1 0 -11.6986622124979 1250673 CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2NC4=CC5=C(C=C4)NC(=O)N5)C 1 2.802 7 1 0 -11.4978627932492 1250656 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=NO3)C4=CC=CS4)C5=CC=NC=C5 1 4.287 6 2 0 -6.51947062191678 1250650 CC(C)C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=O)OC 1 4.199 0 4 -10.2980526544935 1250646 CC1=NC=C(N1CCOC2=NON=C2N)[N+](=O)[O-] 1 -3.e-002 6 4 0 -13.480888708216 1250645 C1=CC=C(C=C1)C2=NOC(=N2)CNC(=O)C3=CC=CS3 1 2.158 3 2 -4.09170767255547 1250631 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NN=CC3=CC=C(O3)C4=CC=C(C=C4)Cl 1 4.079 6 2 0 0.73131819715802 1250614 C1CCC(CC1)N2C(=NNC2=S)CSCC3=CC=CC=C3Cl 1 5.025 3 0 -10.9415900139732 1250611 C1CN(CC2=CC=CC=C21)C(=O)COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.542 2 5 0 -25.6449745387096 1250602 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC3=C(C=C(C=C3)O)C(=O)O 1 2.945 1 4 -6.59502498829362 1250592 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N=C1CN4CCCC4 1 2.767 4 2 1.26952298566132 1250581 COC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)(C(=O)N)N3CCCCC3)OC 1 0.875 4 4 0 -10.7979717855494 1250571 CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCOCC3 1 1.889 2 5 0 -14.3065095874398 1250570 C1=CC=NC(=C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.406 2 3 -6.00430548970891 1250561 CC1=C(C=C(C=C1)C(=O)NCCC2=CCCCC2)S(=O)(=O)NC3=CC=CC=C3C 1 4.825 2 3 -15.9338214987373 1250550 CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5=CC=CC=C5N4 1 4.986 5 1 -5.68290124925452 1250533 CCCN1C=NC2=C1C=CC(=C2)NCC3=CC(=CC=C3)OC 1 3.799 3 1 -4.61374920263107 1250527 C1CN(CCN1C2=CC=CC=C2F)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 3.687 4 3 0 -22.5721941601811 1250513 CC1=C(C(=O)NC(=O)N1)NS(=O)(=O)C2=CC3=C(CCCC3)C=C2 1 1.207 3 4 0 -18.7277342097514 1250511 C1=CC=C(C=C1)C2=NOC(=N2)CNC(=O)CC3=CC=C(C=C3)Cl 1 2.904 3 2 -2.48812615684115 1250504 CC1=CC(=C(C(=C1)C)CN2C=C(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C 1 4.806 3 2 0.518399583157418 1250496 COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NCC3=CC=CO3 1 2.398 1 4 -6.865928572165 1250477 C1CCC(CC1)NC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 3.427 3 2 -6.56233758667526 1250462 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC 1 2.187 4 3 0 -15.1151573189417 1250457 C1=CC(=CC(=C1)O)NC(=O)C2=C3N=CC=CN3N=C2 1 0.645 4 2 0 -3.19358604673955 1250455 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NOC(=C3)C4=CC=CC=C4 1 3.565 3 2 0.722153108772182 1250441 COC(=O)C1=CC(=C(C=C1)N2CCCCC2)N 1 2.018 2 2 -4.34820795750424 1250439 COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=O)C=C(N3)N 1 1.113 5 3 0 -14.2486963658538 1250431 CC1=CC(=NN1CC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-] 1 1.9 4 3 0 -11.9380649693355 1250430 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)N(C1=O)C 1 1.575 3 4 0 -9.18281154925948 1250429 CC(=O)NC1=C(SC2=NC3=C(COC(C3)(C)C)C=C12)C(=O)N4CCOCC4 1 0.857 3 4 0 -21.7773448708051 1250425 COC1=CC=CC(=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CCC5(CC4)OCCO5 1 3.311 4 4 0 -11.82667888943 1250419 C1CC2=CC=CC=C2N(C1)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CS5)C(F)(F)Cl 1 5.52 4 1 -15.0077478479433 1250411 CC1=C(C=C(C=C1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)Cl 1 2.589 4 3 0 -8.32089826781487 1250409 CCN(CC(=O)N)S(=O)(=O)C1=CC=C(C=C1)Br 1 0.898 2 3 0 -8.86832795692249 1250406 C1=CC=C2C(=C1)N=C(C3=NN=NN23)NC4=CC=C(C=C4)Br 1 2.436 6 0 -3.6900592924103 1250392 C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)O)C4=CC=CO4 1 4.593 3 3 -7.91404622757665 1250369 C1=CC=C2C(=C1)C=CC=C2C(=O)NCCN3C=CC=C3 1 2.894 2 1 -5.90530361838409 1250348 CC1=CC=C(C=C1)C2=NOC(=N2)CN(C3CCCCC3)C(=O)C4=CC(=C(C=C4)OC)OC 1 4.722 3 4 0 -3.88591534079948 1250340 CC1=CC(=NC(=C1C#N)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl)C 1 4.282 4 1 2.50630549452207 1250330 C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4S3 1 3.792 6 0 -3.08540162827515 1250318 C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(O3)/C=C(/C#N)\C4=CC(=CC=C4)F 1 5.556 3 1 -3.63100277983414 1250310 CC1=CC=CC(=C1)C2=NOC(=N2)CN(C(C)C)C(=O)CCC3=CC=CC=C3 1 4.114 3 2 -2.00883371329952 1250308 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CN=CC=C3 1 1.34 3 4 0 -25.171806752177 1250302 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=NN3C4=CC=CC=C4 1 3.173 5 1 -23.4066403624386 1250288 CN1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC4=CC=CC=C4O3 1 4.48 4 2 -0.638916325573389 1250258 CCC1=NN=C(S1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)F 1 3.426 3 2 -5.89598601744069 1250240 CCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 3.767 2 5 0 -9.01373193636583 1250236 CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC=C(O3)Br 1 3.396 2 4 -5.31399404716754 1250233 CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)O)C 1 4.579 5 3 0 -18.1602413002318 1250217 CN1C2=CC=CC=C2C(=C1C(=O)C3=CC=C(C=C3)Br)C(=O)OC 1 4.628 1 3 -4.92785828152244 1250210 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)CCNC(=O)C3=CC=C(C=C3)OC 1 2.541 5 3 0 -22.2029163438935 1250203 CC1=C(C=C(C=C1)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C)C 1 3.416 4 3 0 -9.81530278179405 1250200 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)N=C1CN4CCCCC4 1 3.473 4 1 -1.77763446445006 1250182 C1CCC2=C(C1)C=CC(=C2)CC(=O)NC3=CC=CC=C3Br 1 4.911 1 1 -7.68382514497311 1250175 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)COC4=C(C=CC=C4C)C 1 4.912 5 2 0 -17.058487460881 1250173 CCOC(=O)CC1=CSC(=N1)NS(=O)(=O)C2=CC=C(C=C2)SC 1 2.524 2 4 -6.38586331800513 1250113 C1=CC(=CC(=C1)N2C(=CC(=O)NC2=S)N)C(F)(F)F 1 3.012 3 1 1.10927108441615e-002 1250111 CC1=C(C=C(C=C1)NC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)OC)C 1 3.437 3 3 -5.72888297197671 1250088 CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)COC4=C(C=CC=C4C)C 1 4.08 5 2 0 -15.0457495502148 1250074 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4 1 2.654 5 3 0 -20.7017466658675 1250065 C1=CC=C(C=C1)NC2=CC=C(C=C2)N=CC3=CC=C(S3)Br 1 5.498 2 0 8.66584025644053 1250064 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 4.551 3 1 3.55074847120856 1250034 CCOC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)O 1 2.781 1 3 -1.56949609321375 1250023 C1=CSC=C1/C=C\2/C(=O)N(C(=S)S2)CC(=O)O 1 2.19 1 3 -11.7579774592929 1250020 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCOCC3 1 1.755 3 2 0 -3.92378871141612 1250015 C1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)C3=CC=CC=C3F 1 4.032 1 2 -4.16457936349684 1250001 C1CCN(C1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CC=C4Br 1 2.368 9 2 0 -22.8969279068457 1249995 CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3 1 3.942 4 3 0 -13.9498943516574 1249990 C1=CC=C2C(=C1)C(=CC(=O)N2)CSC3=NC4=CC=CC=C4N3 1 3.395 3 1 -8.7096733133039 1249974 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl 1 4.259 1 4 -1.79971039509608 1249967 CC(=O)OC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)OC 1 2.366 1 4 -8.05871826095967 1249965 CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CO4 1 2.318 5 2 0 -8.42479672072196 1249963 C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 2.928 2 2 -3.00033979790482 1249956 C1=CC(=C(C(=C1)Cl)CN2C=C(C=N2)Br)Cl 1 4.14 2 0 -2.83798170801342 1249942 CCN1CCN2C1=NC(=NC2=O)N3CCCCC3 1 1.563 5 1 0 -7.58964613654998 1249925 CC1=C(C=C(C=C1)C(=O)NC2=NOC=C2)S(=O)(=O)N3CCOCC3 1 0.898 3 5 0 -20.7378389052361 1249916 CCN(CC)C(=O)CN1C2=CC=CC=C2C3(C1=O)OCC(CO3)(C)C4=CC=CC=C4 1 2.635 2 4 -16.5173958790441 1249913 CC1=C(C=C(C=C1)NC(=O)CN2C=CC(=N2)[N+](=O)[O-])C 1 2.522 4 3 0 -10.6081374914954 1249909 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)N=C1CN4CCCC4 1 2.459 4 2 0.110636072249905 1249907 CC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 1.846 4 3 0 -17.8142145510466 1249904 C1=CC=C(C=C1)CC2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O 1 3.46 2 3 -16.8833758180966 1249903 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCC4(CC3)OCCO4 1 2.487 2 4 -4.79799365992699 1249887 CC(=O)C1=CC(=CC=C1)N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C 1 0.172 3 4 0 -16.5969114418441 1249881 C1=CC=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.486 4 3 0 -12.5160165827477 1249875 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)CC2=CC=C(C=C2)Cl 1 2.728 1 3 -5.1681742579815 1249871 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F)N(C1=O)C 1 1.797 3 3 0 -8.05796831465009 1249869 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=NO3)C4=CC=C(C=C4)C)C5=CC=NC=C5 1 4.819 6 2 0 -1.35112751778986 1249862 CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3CCN(CC3)C)C)CSC4=CC=CC=C4 1 4.525 3 3 3.66634625014977 1249855 CC1=C(C=C(C=C1)NC(=O)CSCC(=O)N)C 1 1.257 2 2 0 -9.25487926206252 1249837 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.886 4 3 0 -13.5160282664487 1249831 CCC(=O)NC1=CC(=C(C=C1)N2CCCCC2)C(=O)NC3=CC=CC=C3C 1 3.967 3 2 -8.23687795429867 1249813 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCOCC4 1 2.75 3 4 0 -24.1464622690715 1249798 CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(=O)C3=CC=CO3 1 3.659 0 5 -7.51046892049647 1249789 C1CN(CC2=C1C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4Br 1 4.022 2 1 -4.59342054678725 1249778 CC(C)NC(=O)C1=CC=C(O1)C2=CC=CC=C2C(F)(F)F 1 3.911 1 2 -6.01754704108045 1249773 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.558 2 5 0 -13.3511954460521 1249764 C1=CC=C(C=C1)OCC2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O 1 3.261 2 4 -15.5785258627222 1249748 CN1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 1.732 4 2 0 -0.864453215180507 1249730 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4 1 2.571 3 3 -6.10806415093056 1249702 CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=NC3=CC=CC=C3S2)C 1 2.648 4 3 0 -13.0823231099176 1249699 CC1=CC(=NO1)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CC=C4 1 3.344 5 2 0 -19.4907564904699 1249697 CSC1=CC=CC=C1NC(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 2.741 3 2 -19.8936333080151 1249685 C1COCCN1C(=O)C2=CC(=CC=C2)NC(=O)C3=CN=CC=C3 1 0.565 3 3 0 -11.9278353209516 1249680 CC(=NNC(=O)C1=CC=NC=C1)CN2N=C(N=N2)[N+](=O)[O-] 1 -0.174 8 3 0 -10.4609595704794 1249631 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)Cl)N3N=C4C=CC=CC4=N3 1 4.942 4 2 -4.87182816150214 1249621 COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NN=C4 1 2.676 5 1 3.63226558185077 1249620 CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4 1 3.307 5 1 -14.2447436034998 1249608 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)Cl 1 5.003 2 3 -10.414549234426 1249600 CC1=C(C=C(C=C1)NC(=O)CN2C=CC(=N2)[N+](=O)[O-])Cl 1 2.7 4 3 0 -9.92836682294659 1249591 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=CC=C5 1 3.298 6 2 0 -21.9789403564856 1249569 CCCN1C(=NN=N1)NCC2=CC=CC=C2OCC3=CC=C(C=C3)F 1 3.246 5 1 -16.4344745628117 1249567 CC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)S(=O)(=O)NC3=CC=CC=C3 1 2.444 3 3 -13.9734966724295 1249560 C1COCCN1C(=O)CSC2=CC=CC=C2C(=O)O 1 0.954 1 4 0 -13.3153285542048 1249543 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=NON=C3N)Br 1 1.225 5 4 0 -12.9940168011356 1249532 COC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC(=CC=C2)Cl)Cl 1 3.707 2 3 -4.48178168915132 1249508 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCN4CCOCC4 1 2.509 3 3 -6.99408291906519 1249503 CC1=CC(=C(C=C1)Cl)NC(=S)N(CCCN2CCOCC2)CC3=CC=CO3 1 4.852 3 2 -8.51569299141021 1249494 C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.55 3 6 0 -5.60934677202001 1249482 CN(C)C1=NC(=NC(=N1)N)C2=NC3=CC=CC=C3S2 1 1.893 6 0 0 3.85133767250905 1249472 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.238 2 6 0 -16.9416156693644 1249466 C1CC1NC(=O)CSC2=NN=NN2C3=CC(=CC=C3)O 1 1.107 5 2 0 -21.3601234005654 1249455 CNC1=CC=C(C=C1)OC2=NC(=NN2C)[N+](=O)[O-] 1 2.121 5 3 0 -3.98158281422846 1249452 COCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CC4=CC=CC=C43 1 1.797 8 3 0 -22.8213220753961 1249448 C1=CC2=NC3=C(C=C(S3)C(=O)NC4=CC(=CC=C4)Cl)C(=O)N2C=C1 1 2.864 3 2 -11.7421248687179 1249436 CC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CCCC3)C 1 1.399 4 1 0 -0.513144931372435 1249429 COC1=C(C=C(C=C1)C(=O)NC2=C(CCC2)C#N)OC 1 1.996 2 3 0 -12.8119706867627 1249414 COC(=O)CSC1=NN=NN1C2=CC=CC3=CC=CC=C32 1 2.415 4 2 -19.5503685228275 1249408 CC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SCC(=O)NCC4=CC=CO4 1 2.758 3 4 0 -24.1570432029018 1249389 CC1=C(C=CC=C1Cl)NC(=O)CSCC(=O)N 1 1.436 2 2 0 -7.75102543228884 1249381 COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CO3 1 2.719 4 4 0 -19.5748793651069 1249366 CCC1=C(N=C(N=C1N2C(=N2)SCC(=O)OC)N)C 1 1.88 5 2 0 -16.3389027880618 1249353 CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=N4 1 3.098 3 3 -9.64917893857343 1249348 CC1=CC=CC(=C1)C2=NC(=S)C3=C(N2CC4=CC=CO4)CCCC3 1 4.842 2 1 -5.58771440851948 1249341 COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O 1 1.56 1 7 0 -8.72693906470642 1249331 C1CCN(C1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C(=CC=C4)Cl)Cl 1 2.948 9 2 0 -20.3507297987134 1249329 C1CCN(C1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)Cl 1 2.284 9 2 0 -21.1756092254463 1249317 CCOC(=O)C1=CC(=CC=C1)COC(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 4.697 2 5 0 -2.75073178980613 1249293 CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC 1 2.772 2 3 -15.1880350313204 1249291 CC1=NC2=NC(=NN2C(=C1)SCC(=O)C3=CC(=C(C=C3)OC)OC)C 1 2.783 4 3 0 -11.5296934514264 1249286 CCOC1=C(C=C(C=C1)N2C=NN=N2)S(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC 1 1.832 5 5 0 -21.9313598320765 1249268 C1CCCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)Cl 1 3.196 9 2 0 -21.5300777396143 1249242 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CC#N 1 1.655 6 0 0 -2.50522585736448 1249232 COC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CCOCC3 1 0.316 2 5 0 -18.8199544042093 1249231 CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br)N(C1=O)C 1 1.946 3 3 0 -7.66746567477843 1249221 CCCC1=NC2=C(C(=O)N1CC3=CC=CO3)SC4=NC5=C(COC(C5)(C)C)C=C24 1 3.728 3 3 -17.344307170925 1249210 C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=CC=C(C=C3)F 1 3.621 3 1 -15.018826210929 1249204 CCCN1C2=C(C=C(C1=NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)C)C(=O)OCC)C(=O)N5C=CC=CC5=N2 1 4.193 5 5 0 -23.4868530776122 1249201 CC1=C(C=CC=C1Cl)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.405 2 5 0 -19.4068379751734 1249193 C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=N3)Br)Br 1 4.099 5 1 -3.73924939895009 1249186 CC1=NC=C(C(=N1)N)CSC2=NC3=C(N2)C=C(C=C3)OC 1 1.965 5 1 0 -4.92244521878651 1249184 CC1=CC=CC=C1OCC(=O)N(CC2=NC(=NO2)C3=CC=CC=C3)C(C)C 1 3.458 3 3 -3.3162010994526 1249176 CC1=C(N=NN1C2=NON=C2N)C(=O)NN=C/C(=C/C3=CC=CC=C3)/C 1 1.959 8 2 0 -26.3882037114034 1249162 CNC(=S)NNC(=O)C1=CC=CC=C1Br 1 2.168 3 1 -9.25421825921525 1249151 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4 1 5.046 4 2 10.1967589058436 1249149 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NN=CC3=CC=NC=C3 1 1.608 4 3 0 -15.0069595532765 1249148 C1CCC(CC1)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3F 1 2.968 3 2 -12.8926439489517 1249141 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSCC2=CC=C(C=C2)Br 1 3.641 2 4 -13.0607882104267 1249135 C1CC2=CC=CC=C2N(C1)C(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=CC=C5 1 4.942 4 1 -14.2123862373552 1249115 CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)OC)OC3=O 1 3.373 2 4 -4.93199852996335 1249113 C1CCC(CC1)CCC(=O)NC2=CC=C(C=C2)C(=O)C3=CC=NC=C3 1 4.032 2 2 -10.5974158999443 1249082 CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CN=CC=C4 1 1.84 3 5 0 -14.6175011123922 1249075 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl 1 5.268 3 2 7.34269625724754 1249064 CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCC3=CC=CC=C32 1 2.027 4 3 0 -16.6070981728581 1249056 CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2CCOCC2)N 1 0.565 3 4 0 -8.0865996793548 1249045 C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC3=NC=CS3)F 1 3.022 2 2 0.390523581541901 1249025 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC(=C3)C(=O)O 1 3.491 1 6 0 -2.08536365814964 1249019 CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C)C 1 2.158 4 3 0 -20.8918483543005 1249005 C1COCCN1CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C(=CC=C4)Cl)Cl 1 2.175 9 3 0 -23.1038045237935 1249003 CC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4 1 3.557 1 6 0 -19.0866561347123 1249002 C1COCCN1CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C=CC=C4Cl)Cl 1 2.175 9 3 0 -27.8576721542962 1248999 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)S(=O)(=O)N4CCCCC4 1 3.599 3 3 -13.3325157907609 1248997 CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCC4 1 2.447 2 5 0 -20.5047770531179 1248993 C1=CC2=C(C(=C1)OCC3=NN=C(N3C4=CC=C(C=C4)Cl)SCC(=O)O)N=CC=C2 1 4.152 4 3 0 -16.3825612376418 1248985 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4 1 3.903 2 2 -5.02460744111878 1248982 CC1=C(C=C(C=C1)C(=O)NC2=NOC=C2)S(=O)(=O)N3CCCCCC3 1 2.584 3 4 0 -18.7796561837864 1248979 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)N4CCCC4 1 2.937 3 3 -13.9512274972003 1248973 CC1=C(C=C(C=C1)C(=O)N2C(=CC(=N2)C)C)S(=O)(=O)N3CCOCC3 1 1.647 3 4 0 -21.4862951532305 1248970 CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4 1 2.903 2 5 0 -20.8592455672859 1248962 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC(C)C)C3=CC=NC=C3 1 3.754 4 2 -11.3905104533069 1248960 C1=COC(=C1)CN2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)C4=CC=NC=C4 1 3.943 4 2 -5.18024683596221 1248885 CN1C(=NN=C1SCC(=O)C2=C(C=CC(=C2)OC)OC)CC3=CC=CS3 1 3.619 3 3 -13.5071109886872 1248883 CN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)CC4=CC=CS4 1 3.688 5 0 -10.8271887472478 1248881 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC3=CC=CS3 1 3.237 4 3 0 -20.2658733445702 1248871 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CS5 1 4.829 4 3 0 -15.9541571962243 1248867 C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=CS5 1 4.151 3 4 0 -12.3972514022448 1248857 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)C=NN3)C4=CC=CS4 1 2.642 6 1 0 -14.1076122821621 1248856 CN1C(=NN=C1SCC(=O)C2=C(C=CC(=C2)OC)OC)C3=CC=CS3 1 3.584 3 3 -11.0961690154248 1248839 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC(C)C)C3=CC=CO3 1 4.299 3 3 -11.0256264358407 1248805 CC(C)OC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=NC=CN=C3 1 1.734 5 3 0 -17.0396430579095 1248797 CC(C)OC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=NC=CN=C3 1 2.545 5 2 0 -15.362929028453 1248782 CCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.05 4 3 0 -27.1057489194778 1248777 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-] 1 4.754 2 5 0 -2.56570574067601 1248775 CC1=NN2C(=NN=C2C3=CC=CC=C13)CN(C4=CC=CC=C4)C(=O)C5=CC=CO5 1 3.206 5 2 0 -10.7913408021625 1248760 CCOC(=O)C1=C2N(C3=CC=CC=C3O2)C(=O)C(=C1)NC(=O)C4=CC=C(C=C4)Cl 1 3.188 2 5 0 -6.26697179357983 1248737 CC1=C(OC2=C1C3(CCC2)SCCS3)C(=O)OC 1 3.324 0 3 -0.739896268953864 1248731 C1CCN(CC1)C2=NC(=NC(=N2)SCC(=O)NC3=NC=CS3)N4CCCCC4 1 2.602 7 1 0 -10.4960015208877 1248714 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O 1 0.758 2 7 0 -10.8177929869702 1248704 CCN(CC)CCNC1=NC=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)N5CCCC5 1 3.925 6 1 0 -13.0581356769422 1248683 CC1=CC(=NO1)NC(=O)CSC2=NN=C(O2)C 1 0.323 4 3 0 -26.3218536359588 1248670 C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=CC=C(C=C3)Cl 1 3.107 3 2 -6.74127329801469 1248664 CC1=C(C=CC=C1Cl)NC(=O)CN2C(=CC=C2C3=CC=C(C=C3)Cl)CCC(=O)O 1 5.381 2 3 -6.98191591622812 1248605 C1CCN(C1)CC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 2.746 2 1 -4.3283951143953 1248644 CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NCC3=CC=CO3)C 1 3.114 1 3 -8.21076234045919 1248638 CN(C)C1=CC=C(C=C1)C(=S)N2CCCCCC2 1 4.203 2 0 -5.87017241764567 1248635 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NN4C=NN=C4 1 2.208 6 0 -4.89927594670184 1248600 CC1=C(C=CC(=C1)OCC(=O)C2=CC=C(C=C2)F)N3C(=O)CCC3=O 1 2.921 1 4 -10.1478231149769 1248587 CCOC1=CC=C(C=C1)C2=CN(N=C2N)S(=O)(=O)C3=CC=CC4=NSN=C43 1 3.402 5 3 0 -1.71954785565886 1248586 C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NC3=NC=CS3)C4=CC=CC=C4 1 4.191 4 1 -6.75962916622786 1248585 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4 1 2.646 2 4 -14.65717858722 1248583 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC(=NC(=N3)N)C(F)(F)F 1 3.994 5 0 -0.326747256064092 1248581 CC1=CC(=C2C(=C1)OC=C2CC(=O)NN(C)C)C 1 2.062 2 2 -5.8530977219114 1248559 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)C 1 3.436 2 4 -8.89994878767891 1248551 CC1=C(C=C(C=C1)C(=O)N2CCCC2)S(=O)(=O)NC3=CC=CC=C3 1 2.678 2 3 -8.91873408143097 1248550 CC(C)OC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=N2 1 3.997 3 3 -23.1336504083594 1248546 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CS3 1 2.687 3 1 -2.64589764600921 1248524 COC1=CC=CC(=C1)C2=NC3=NC(=NN3C(=C2)C(F)(F)F)N 1 3.316 5 1 0.210813284850331 1248521 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2 1 2.053 2 4 -9.8238852098102 1248481 COC1=CC=CC=C1NC(=O)CNC(=O)C2=CC=C(C=C2)F 1 1.863 2 3 0 -13.5020959000501 1248444 CC1=C(C=CC(=C1)S(=O)(=O)NCC(C)C)OCC(=O)N2CCOCC2 1 1.356 2 5 0 -15.023099513736 1248403 CC1=C(C(=O)N2C(=N1)N=C(N2)C3=CC=CC=C3)CC(=O)OC 1 0.676 4 3 0 -9.77693125600194 1248388 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=CC=CC=C3O2 1 3.697 2 4 -16.0649920871339 1248384 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=NN=NN2CC3=CC=CC=C3)OC 1 2.266 5 5 0 -32.1445414416514 1248344 C1=CC=C(C=C1)CCN2C(=NC3=CC=CC=C3C2=O)C4=COC=C4 1 3.707 2 2 -6.9592576499 1248336 C1CSC2=NC(=C(N21)N=CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl 1 5.821 3 0 5.9573631298084 1248328 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2CC2 1 1.7 1 3 0 -8.49327118116728 1248318 C1=CC=C(C(=C1)C(=O)N)OCC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.691 2 5 0 -8.03525001875457 1248279 CC1=C(OC2=CC=CC=C12)C3=NC(=NC(=N3)NC4=CC=CC=C4OC)N 1 3.838 5 2 0 0.956260400377926 1248271 CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.985 2 4 -6.58162002933136 1248259 CC1=CSC(=N1)NC(=O)CSC2=NN=CN2C 1 0.399 5 1 0 -19.3540108960552 1248252 C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC3=CC(=CC=C3)F)O 1 4.14 0 3 2.07959938325952 1248235 CCOC1=C(C(=CC(=C1)C(=O)NC)Br)OCC2=CC=CC=C2 1 3.686 1 3 -9.61580992457233 1248224 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NCC2=CC=CO2 1 2.627 2 5 0 -15.1426379611739 1248222 C1=CC=C(C(=C1)NC(=O)COC2=C(C=C(C=C2)Br)CO)F 1 2.799 1 3 -5.40938534013849 1248169 CC(=O)NC1=NC(=NN1)SC 1 0.314 4 1 0 -3.36186254374812 1248175 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CCN(CC3)C 1 3.03 2 2 10.7441638788542 1248220 C1COCCN1CCN(CC2=CC(=CC=C2)Cl)C(=O)N3CCOCC3 1 1.543 3 3 0 -6.89185559215234 1248217 CC1=CC2=C(C=C1)C(=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CN=CC=C5)C 1 4.992 3 3 -14.1709356009888 1248150 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 0.364 3 5 0 -9.36560955816368 1248135 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.534 2 6 0 -11.0142831005691 1248130 CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC=CC=C4F 1 2.189 6 2 0 -21.6960468098677 1248129 CC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SCC(=O)C4=CC=C(S4)Cl 1 4.602 2 3 -11.6115064925819 1248117 CN(C)C1=NC(=NC(=N1)N)CSC2=NN=NN2C3=CC=CC=C3 1 1.225 9 0 0 -16.6093884485396 1248113 CCOC(=O)C1=NN(C(=C1)OC(=O)C2=CC=CS2)C3=CC=CC=C3 1 4.199 2 4 -6.84380432922005 1248110 C1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CC=C4Cl 1 3.481 8 2 0 -22.1163497258678 1248098 C1CCC(C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.08 2 5 0 -23.3196766891518 1248089 CC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC=C(C=C2)Br 1 3.503 1 2 -11.1057173356936 1248081 CN(C1=CC=CC(=C1)NC(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.304 3 3 -5.051732397452 1248078 CCN1C2=C(C=C(C(=C2)C)S(=O)(=O)NC3=CC=CC=C3C)N(C1=O)CC 1 3.262 3 3 -6.74438640669668 1248075 CC(C)N(CC1=NC(=NO1)C2=CC=CC=C2)C(=O)C3CCCCC3 1 3.599 3 2 -1.79825169037054 1248070 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CO2)C3=CC=CC=C3C 1 3.321 2 4 -21.6526053853405 1248068 CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)N=C1CN4CCCCC4 1 3.52 4 1 -1.94533240761432 1248064 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3 1 1.499 3 5 0 -18.2045228352692 1248060 CCOC(=O)CSC1=NN=C(N1CC=C)CC2=CSC(=N2)N 1 1.795 5 2 0 -19.0835325643932 1248057 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CC2=CC=CC3=CC=CC=C32)OC 1 3.154 1 5 -11.6011980400308 1248054 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CN=CC=C3 1 2.248 3 2 -7.45956338584064 1248008 C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)F 1 4.973 1 1 -4.84150525650977 1247999 COC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 3.608 3 3 6.29764105685741 1247986 CCC1=C(SC(=C1C#N)NC(=O)C2=C3N=CC=CN3N=C2)C 1 1.641 5 1 0 -14.0034104278743 1247978 C1=CC=C(C=C1)C2=NOC(=N2)CNS(=O)(=O)C3=CC=C(C=C3)F 1 2.113 3 3 1.21427056093566 1247970 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC(=CC=C5)OC)C(F)(F)F 1 3.71 6 3 0 -19.5083471230605 1247966 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)N(C1=O)C 1 2.329 3 3 -20.7583979794028 1247949 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C4N=CC=CN4N=C3 1 -2.e-002 6 2 0 -16.9588656935434 1247929 CN1C(=O)N(C(=O)N1C)C2=CC(=CC=C2)Cl 1 1.803 3 2 0 0.414256421458921 1247926 CC1=C(C=CC(=C1)C(=O)NCC2=NC(=NO2)C3=CC=CC=C3)[N+](=O)[O-] 1 2.585 4 4 0 -7.08791347699917 1247913 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)Cl)OC 1 3.382 3 2 -0.609337292804949 1247908 CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)C3=C4N=CC=CN4N=C3 1 1.754 6 1 0 -7.58338323589385 1247891 CC1=C(N(C(=N1)C2=CC(=CC=C2)[N+](=O)[O-])O)C(=O)C 1 -0.276 3 4 0 -2.28478802267732 1247880 CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)CCNC(=O)C3=CC=C(C=C3)OC 1 4.961 4 2 -17.1801462706919 1247872 CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C)C4=CC=CC=C4 1 4.061 5 1 -1.28289269392232 1247868 CCN(CC(=O)N1CCC(CC1)C)S(=O)(=O)C2=CC=C(C=C2)C 1 2.216 2 3 -17.1386262208984 1247844 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)NC(=O)N4 1 2.599 5 2 0 -8.28391521540166 1247843 C1=CC(=CC=C1NC(=O)CSCC2=CC(=O)NN2)F 1 0.337 3 2 0 -11.2899373990115 1247827 CC(C)NC(=O)C1=CC=CC=C1NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.478 3 4 0 -19.0921523327429 1247796 CC1=NN(C(=C1)NC(=O)C2=C3N=CC=CN3N=C2)C4=CC=CC=C4 1 1.521 6 1 0 -8.64879356632046 1247789 CC1=CC(=NO1)C(=O)NC2=CC=CC=C2SC 1 2.184 2 2 -16.1043119919928 1247778 CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.114 2 2 -1.2082359264599 1247777 CCSC1=NN=C(S1)NC(=O)C2=CSC3=C2CCCC3 1 3.566 3 1 -15.953574093451 1247773 CC1=CC(=CS1)C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 3.06 2 1 -0.605836538675391 1247770 CC1=C(OC2=CC=CC=C12)C(=O)N3CCC4=CC=CC=C43 1 3.976 1 2 -2.0596612769804 1247720 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC3=CC=CS3 1 3.777 2 2 -17.0111399890259 1247729 CCC1=C(C=C(S1)C(=O)NC2=CN=CC=C2)Br 1 2.978 2 1 -5.07611571289603 1247760 CCSC1=NN=C(S1)NC(=O)C2=NOC(=C2)C 1 1.548 4 2 0 -21.2912122439135 1247756 C1CN(CCC12OCCO2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 1.338 1 5 0 -13.7563976133466 1247755 COC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C3CCCCC3)OC 1 3.026 2 3 -3.14935159058914 1247754 CC1=CC(=C(O1)C)C(=O)NC2=CC=CC=C2OC 1 1.993 1 3 0 -9.44556081110087 1247750 CC1=CC(=CS1)C(=O)NCC2=CC=CS2 1 2.169 1 1 -11.7357592859008 1247749 C1=CC=C2C(=C1)C(=CS2)C(=O)NC3=NC=CN=C3 1 1.714 3 1 0 -3.63968677445761 1247744 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4 1 2.785 3 5 0 -8.76333204685958 1247743 C1COCCN1C(=O)C2=C(SC=C2)NC(=O)C3=CN=CC=C3 1 0.352 3 3 0 -14.3557946145154 1247740 C1=CC=C(C(=C1)C2=NN=C(O2)NC(=O)C3=CC=CO3)Cl 1 2.515 3 3 -2.09466905053802 1247739 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=NN=C(S3)C(F)(F)F 1 3.854 4 2 -15.1494404992294 1247737 CCC1=C(C=C(S1)C(=O)NC2CCN(CC2)C)Br 1 2.663 2 1 -4.71865862322392 1247710 CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N3CCOCC3 1 2.172 1 3 -6.61679371250045 1247709 CC1=C(OC2=CC=CC=C12)C(=O)NC3=NC=CN=C3 1 1.933 3 2 0 2.47289176924199 1247700 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(S3)Br 1 2.21 3 3 -16.1317544192967 1247694 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=NC=CN=C2)OC 1 0.564 3 5 0 -16.2630361166881 1247685 CC1=C(C=CO1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC 1 2.791 2 3 0.895591574095396 1247683 CC1=CC(=C(O1)C)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C 1 2.161 2 4 -10.3329077630103 1247681 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCC3 1 2.163 2 2 -4.38695723095084 1247675 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=C(OC=C2)C 1 1.528 2 4 0 -9.63994860553229 1247664 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3 1 3.89 2 2 -5.90921624285581 1247663 CCCC1=CC(=CS1)C(=O)NC2=NC=CS2 1 2.542 2 1 -7.5328719500057 1247653 CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC 1 2.43 4 6 0 -16.3551297701951 1247646 CCC1=C(C=C(S1)C(=O)NCC2=CC=CO2)Br 1 3.317 1 2 -10.2643457310008 1247619 CC1=CC=C(S1)C(=O)NC2=CC=CC=C2OC 1 2.697 1 2 -6.60168180900747 1247610 CCC1=C(SC=C1C(=O)N2CCN(CC2)C3=CC=CC=C3OCC)C 1 3.955 2 2 -4.99948107879847 1247596 C1CN(CCN1C2=CC=CC=N2)C(=O)CC3=CC=CC=C3Cl 1 2.961 3 1 -4.68933142025991 1247594 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-] 1 0.873 5 4 0 -6.01384266544452 1247591 COC(=O)NC1=NN=C(S1)C2=CC=NC=C2 1 0.842 4 2 0 -6.80713570520148 1247579 CC1=CC=C(O1)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 1.977 1 6 0 -10.7458773681676 1247578 CC1=C(C=CC(=C1)OCC(=O)NCC2=CN=CC=C2)[N+](=O)[O-] 1 1.686 3 4 0 -15.5628936148988 1247571 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCC4=CC=CC=C43 1 4.311 2 2 -15.0423809402641 1247566 CC1=C(C(=NO1)C)C(=O)NC2=CN=CC=C2 1 0.346 3 2 0 -10.0764343471775 1247565 CC1=C(C=CC(=C1)OCC(=O)NC2CCN(CC2)C)[N+](=O)[O-] 1 1.364 3 4 0 -8.5068207242963 1247562 CCCN1CCC(CC1)NC(=O)CC#N 1 0.416 3 1 0 -9.42934076775161 1247559 COC(=O)NC1=C(C2=C(S1)CCCCCC2)C(=O)NC3CC3 1 3.373 2 3 -17.8129597521117 1247540 CC1=CC2=C(C=C1)N(CCC2)C(=O)OC 1 2.816 1 2 -5.54183644079054 1247534 CC(=O)NC1=NN(C=C1)CC2=C(C=CC=C2Cl)F 1 2.592 3 1 -9.86214089692389 1247532 CC1=C(C=CO1)C(=O)NCCC2=CC=C(C=C2)Cl 1 2.856 1 2 -3.8748526488343 1247515 CC1=CC(=NO1)C(=O)N2CCN(CC2)CCC3=CC=CC=C3 1 2.134 3 2 -6.53310017686649 1247514 CC1=C(C(=NO1)C)C(=O)NCC2=CC=CC=C2F 1 1.709 2 2 0 -13.1572892362752 1247498 CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCC4=CC=CC=C43 1 3.257 1 4 -16.4519506603591 1247497 C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4 1 1.596 2 5 0 -20.6782421796357 1247495 CC1=CC(=CS1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC 1 1.333 2 3 0 -13.3379548151656 1247491 C1CN(CCC12OCCO2)C(=O)C3=C(C=CC(=C3)Br)Cl 1 2.721 1 3 -6.04781895865954 1247482 C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl 1 4.451 1 3 -8.56230812931805 1247481 CC1=C(C(=NO1)C)C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F 1 3.103 2 2 -8.15077456834454 1247478 CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=CC=CC=C3)C 1 3.762 3 1 -8.73811052188405 1247476 C1=CC=C(C(=C1)CNC(=O)C2=CC=CO2)Br 1 2.765 1 2 -7.24952581579766 1247475 CC1=CC=C(S1)C(=O)NCCC2=CC=C(C=C2)F 1 3.247 1 1 -5.35496975526787 1247474 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)CCC4=CC=CC=C4 1 3.652 3 2 -4.28033797927913 1247470 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(ON=C3C)C 1 2.088 3 3 -11.1934009206972 1247465 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCC4(CC3)OCCO4 1 1.855 2 4 0 -10.7198200456782 1247464 C1=CC(=CC(=C1)Cl)C(=O)NC2=NOC=C2 1 2.272 2 2 -2.5885440322484 1247462 CC(C)(C)C1=CC(=NO1)NC(=O)C2=CC=CO2 1 2.694 2 3 -8.9670518233498 1247461 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(C=CC=C3F)F 1 2.793 1 3 -8.60603707598838 1247460 CC1=C(C(=NO1)C)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 -0.123 5 2 0 -8.45912211625912 1247458 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C 1 3.824 3 3 -8.44854099855538 1247454 C1=CC=C2C(=C1)C(=CS2)C(=O)NC3=NOC=C3 1 2.469 2 2 -3.87473780931622 1247433 C1CCC2=C(C1)C=C(S2)C(=O)NN3C=NN=C3 1 1.569 4 1 0 -9.51397298571295 1247427 CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCOCC3 1 1.294 1 5 0 -14.2470318383475 1247424 C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 2.04 4 1 -3.55252221968319 1247401 CC1=C(C(=NO1)C)C(=O)NCC2=CC=CC=C2Br 1 2.252 2 2 -12.125383215465 1247394 CC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4 1 3.245 4 1 -0.111329763771951 1247393 CC1=CC(=O)OC2=C1C=C(C=C2)OC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-] 1 2.556 2 8 0 -15.3922872344931 1247392 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC=C(S2)Br 1 2.8 2 3 -8.99400745783207 1247390 C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.384 3 4 0 -12.7922614009938 1247385 CC1=CC(=NO1)C(=O)NC2=CC=CC=N2 1 1.031 3 2 0 -10.0436155841735 1247382 C1CCN(C1)C(=O)C2=CC=C(S2)Cl 1 2.117 1 1 -3.23722054134134 1247379 C1=CC=C(C=C1)C2=NC=C(O2)COC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 3.531 2 5 0 0.384622945460856 1247376 CC1=C(N=C(S1)NC(=O)OC)C2=CC=C(C=C2)F 1 2.888 2 2 -2.95693744522523 1247374 C1CCC(CC1)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3 1 4.914 3 0 -8.28808620972953 1247372 CC1=C(C=CO1)C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3 1 2.655 2 3 -10.1986360569487 1247371 CCC(=O)NC1=NN=C(S1)C2=CC=NC=C2 1 0.865 4 1 0 -6.94853497292296 1247370 CN1CCC(CC1)NC(=O)C2=CC=NC=C2 1 -2.e-003 3 1 0 -3.62879443470607 1247360 CC1=C(SC(=C1C#N)NC(=O)C2=C(C=CC=C2F)F)C(=O)OC 1 3.324 2 3 -17.6680660921606 1247359 CC1=C(SC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C 1 3.831 2 1 1.37850172100208 1247338 CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC=N2)OC 1 1.844 4 4 0 -17.3114258469612 1247326 C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C3=CC=NC=C3 1 3.438 2 1 -6.33850276091022 1247306 CC1=C(C(=NO1)C)C(=O)NC2=CC3=C(CCC3)C=C2 1 2.553 2 2 -13.0938537363419 1247300 CC1=C(C=CO1)C(=O)NC2=NOC(=C2)C(C)(C)C 1 2.548 2 3 -8.84017763559792 1247284 C1CCN(C1)C(=O)C2=CC(=CC=C2)C(F)(F)F 1 2.647 1 1 -1.00277533667754 1247282 C1=CC=C2C=C(C=CC2=C1)N=CC3=CC(=C(C=C3)Br)[N+](=O)[O-] 1 4.977 2 2 8.37660143330722 1247277 CC1=CC(=NN1C)CNC(=O)C2=C(C=CC(=C2)Br)Cl 1 3.044 3 1 -11.4567690231361 1247275 C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O 1 2.983 3 5 0 -10.3220815027286 1247274 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC=C(O2)C 1 1.82 2 4 0 -8.57392755294388 1247272 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC=NC=C4 1 2.409 5 2 0 -12.4208078301212 1247265 CCSC1=NN=C(S1)NC(=O)C2=C(OC(=C2)C)C 1 1.915 3 2 0 -16.733533197057 1247264 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC3CCCCC3)OC 1 1.985 3 5 0 -27.2282143220397 1247262 CC1=CC(=CS1)C(=O)NC2=CC(=C(C=C2)OC)OC 1 2.389 1 3 -11.5923856905196 1247256 C1=CC(=C2C(=C1)SC(=C2Cl)C(=O)NCC3=CC=CO3)F 1 3.826 1 2 -4.49476580422168 1247253 CC1=C(SC(=C1C#N)NC(=O)C2=C(ON=C2C)C)C 1 1.794 3 2 0 -17.5198387602289 1247244 CCC1=CC=CC(=C1NC(=O)C2=C(OC(=C2)C)C)C 1 3.438 1 2 -7.86601950698851 1247236 CC1=C(C=CO1)C(=O)NC2=C(C(=CS2)C3=CC=NC=C3)C(=O)OC 1 1.873 2 4 0 -5.89473503578629 1247226 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)OC 1 1.592 2 3 0 -3.80709728590608 1247224 CCC1=C(C=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C)Br 1 1.765 2 3 0 -18.3852826020817 1247215 CC1=CC(=CS1)C(=O)N2CCCCCC2 1 2.424 1 1 -7.75522153482183 1247210 C1=CC(=CC=C1CN2C=C(C=N2)NC(=O)C3=NC=CN=C3)Cl 1 1.639 5 1 0 -9.84733689725552 1247208 CC1=C(OC2=CC=CC=C12)C(=O)NCC3=CC=CS3 1 3.442 1 2 -1.37005153018215 1247203 CC1=C(SC(=N1)NC(=O)CC2=CC=CS2)C(=O)OC 1 2.029 2 3 -12.7607078042761 1247202 CCC1=CC=C(S1)C(=O)NCC2=CN(N=C2)C 1 2.037 3 1 -8.21218262502014 1247197 CC1=CC(=CS1)C(=O)NC2=CC(=C(C=C2OC)OC)Cl 1 3.053 1 3 -10.1539324509293 1247194 C1CCN(CC1)CCNC(=O)NC2=CC=CC=C2 1 2.002 3 1 -6.38203556903826 1247188 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.214 3 3 -3.38128730165776 1247176 C1CN(CCN1C(=O)C2=CC=C(S2)Br)S(=O)(=O)C3=CC=CC=C3 1 2.349 2 3 -20.7140921521404 1247173 CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 2.93 2 4 -17.4263708787858 1247159 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3 1 2.279 3 3 -9.8911551224021 1247148 CC1=CC2=C(C=C1)N(CCC2)C(=O)C3=C(ON=C3C)C 1 2.719 2 2 -13.364045186669 1247133 CCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OCC 1 4.604 2 2 -2.52582960465311 1247132 COC(=O)C1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=C(C=C2)C(=O)OC 1 1.626 2 6 0 -6.27427962451613 1247127 CC1=C(C(=NO1)C)C(=O)N2CCN(CC2)CCC3=CC=CC=C3 1 1.988 3 2 0 -7.67716402543367 1247124 C1CC2=C(C3=CC=CC=C31)SC(=C2C(=O)N)NC(=O)C4=CC=CC=C4 1 3.814 2 2 -8.37220027931012 1247123 C1CCC(CC1)NC(=O)N2CCN(CC2)C3CCCCC3 1 3.249 3 1 -6.22034485833056 1247121 CC1=CC(=C(S1)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3)C(=O)OC 1 4.697 3 2 -7.28311292301306 1247120 CC1=CC(=C(O1)C)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 3.576 1 3 -6.8413236275138 1247116 CC1=C(C(=NO1)C)C(=O)NC2=CC=CC=C2SC 1 2.038 2 2 -15.022167292845 1247114 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(S3)Br 1 3.745 2 2 -2.06505072274657 1247113 C1CN(CCC12OCCO2)C(=O)CSC3=CC=CC=C3 1 1.702 1 3 0 -9.25153927137519 1247112 CC1=C(OC2=CC=CC=C12)C(=O)NC3=NCCS3 1 3.183 2 2 -4.05324035432945 1247109 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(S2)Br 1 3.014 2 4 -6.80169665984693 1247104 CC1=C(C(=NO1)C)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC 1 3.434 2 4 -21.1927170582309 1247101 CC1=CC(=CS1)C(=O)NC2=C(C3=C(S2)CCCCC3)C#N 1 3.927 2 1 -20.6053268632544 1247100 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CS3)OC 1 1.748 2 5 0 -27.5883731439775 1247098 CC1=C(C(=CC=C1)C)N2CCN(CC2)C3=C(C=CC=C3C)C 1 5.566 2 0 2.12933535833084 1247097 C1=CN=CC=C1C(=O)NC2=NC=CN=C2 1 -0.299 4 1 0 -5.52197088396215 1247096 COC1=CC=CC=C1CNC(=O)C2=NC=CN=C2 1 0.732 3 2 0 -13.186249398554 1247094 CC1=CC(=NO1)C(=O)NC2=C(C(=CS2)C3=CN=CC=C3)C(=O)OC 1 1.652 3 4 0 -15.2386215657883 1247091 CC1=C(C(=C(S1)NC(=O)C2=CC=CC=C2)C#N)C3=CC=CC=C3 1 3.944 2 1 -10.9991946081118 1247080 CC1=C(SC(=N1)NC(=O)C2=CC3=C(S2)CCCCC3)C(=O)N(C)C 1 3.392 3 2 -13.3187327637863 1247079 CCC1=CC(=CS1)C(=O)NCCN(C)C 1 1.651 2 1 0 -7.55480029652908 1247075 CC1=CC(=CS1)C(=O)NC2=CC(=CC=C2)NC(=O)C 1 1.542 2 2 0 -9.27961114063572 1247071 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NCC2=CC=CO2 1 2.745 1 2 -6.02934790722646 1247061 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3F)F 1 2.603 2 3 -19.6339153154367 1247056 CCCC1=CC(=CS1)C(=O)NC2=C(C=CC(=C2)OC)OC 1 3.512 1 3 -8.28568504276439 1247047 CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.733 2 4 0 -15.9303395565922 1247043 C1CCC2=C(C1)C=C(S2)C(=O)NC3=NOC=C3 1 2.944 2 2 -7.70862542736876 1247036 C1CCC2=C(C1)C(=CS2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 2.371 2 3 -14.3044488837122 1247035 CC1=C(OC2=CC=CC=C12)C(=O)N3CCN(CC3)S(=O)(=O)C 1 1.332 2 4 0 -8.30044529856803 1247033 CC1=C(C=CC(=C1)OCC(=O)NC2=CC=NC=C2)[N+](=O)[O-] 1 1.68 3 4 0 -9.51297147791929 1247028 C1=CC=NC(=C1)CNC(=O)C2=CC=C(S2)Br 1 2.207 2 1 -8.20221273492605 1247026 CCC(CC)(C#C)NC(=O)C1=CC=C(S1)Br 1 4.381 1 1 -7.10433924668173 1247025 CC1=C(C(=NO1)C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 3.015 2 2 -4.71685944583861 1247020 C1=CC=C2C(=C1)C(=CS2)C(=O)NCC3=CC=CS3 1 3.223 1 1 -9.09284224842727 1247018 CC1=C(C(=NO1)C)C(=O)NC2=C(SC=C2)C(=O)OC 1 1.305 2 4 0 -14.0819063803815 1247011 CC1=C(OC2=CC=CC=C12)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.343 3 2 6.18165533157365 1246999 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CSC4=CC=CC=C43 1 2.55 3 3 -16.6237024858588 1246998 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=C(S3)CCCC4 1 3.044 3 2 -17.925324153707 1246995 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CS3 1 2.229 3 4 0 -19.7655599580038 1246991 CC1=C(C(=NO1)C)C(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C#N 1 2.826 3 2 -15.5338629885106 1246990 COC(=O)NC1=NC(=CS1)C2=C(C=CC(=C2)Cl)Cl 1 3.866 2 2 2.6918933305376 1246987 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl 1 3.792 2 4 -12.07341791338 1246981 CS(=O)(=O)N1CCN(CC1)C(=O)C2=CSC3=CC=CC=C32 1 1.113 2 3 0 -16.4012048281119 1246977 COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=C(S3)Br 1 3.704 1 3 -14.0740725340193 1246974 CC1=CC=C(S1)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.008 1 3 -10.4779277182463 1246970 CN(C)CCNC(=O)C1=C(C2=C(C=CC=C2S1)F)Cl 1 3.199 2 1 2.26909987205273e-002 1246966 COC1=CC(=C(C=C1)OC)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C4=CC=CO4 1 3.475 2 5 0 -16.5544980536627 1246960 CC1=CC(=CS1)C(=O)NCC2=CN=CC=C2 1 1.278 2 1 0 -11.5309764828951 1246952 C1=CC=C(C(=C1)C2=NN=C(O2)NC(=O)C3=CN=CC=C3)Cl 1 1.969 4 2 0 -4.98368225891979 1246947 CC1=C(SC(=N1)NC(=O)C2=CC3=C(S2)CCCC3)C(=O)OC 1 3.377 2 3 -12.3333849964562 1246945 C1=CSC(=C1)CNC(=O)C2=CC=C(S2)Cl 1 2.774 1 1 -5.59523712777894 1246941 CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC 1 0.775 2 4 0 -10.2274385823711 1246938 CC1=C(OC2=CC=CC=C12)C(=O)NN3CCOCC3 1 1.521 2 3 0 -0.340003313266721 1246933 C1CCC2=C(C1)C=C(S2)C(=O)N3CCC4(CC3)OCCO4 1 2.645 1 3 -11.3845046979199 1246932 COC1=CC=CC=C1C(=O)NC2=NOC=C2 1 1.591 2 3 0 -6.8277638329368 1246930 C1=CC(=CC=C1CC(=O)NC2=NOC=C2)[N+](=O)[O-] 1 1.537 3 4 0 -7.99699211208472 1246899 C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3 1 2.325 2 3 -9.74583496150412 1246896 CC1=CC=C(O1)C(=O)NC2=NC=C(S2)C 1 1.298 2 2 0 -2.75597258525542 1246892 CC1=C(C=CO1)C(=O)NCC2=CC=CC=C2F 1 2.076 1 2 -7.85874664900822 1246890 C1=CC(=CN=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O 1 2.242 2 3 -10.1899920389256 1246886 CC1=NN(C=C1CNC(=O)C2=CC(=CC=C2)Cl)C 1 2.218 3 1 -4.57286702944067 1246885 C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=NC=CN=C4 1 2.112 3 2 -5.26957918309258 1246879 COC1=CC=CC=C1CCNC(=O)CC2=CC=CS2 1 2.914 1 2 -15.6899750967798 1246875 COC(=O)C1=C(C=CS1)NC(=O)C2=CC3=C(S2)CCCC3 1 3.76 1 3 -11.2940235157346 1246872 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C 1 3.695 3 4 0 -18.4529084405249 1246866 C1=CC(=CN=C1)C(=O)NC2=NC=CN=C2 1 -0.299 4 1 0 -6.55863417387371 1246861 CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCC4=CC=CC=C4C3 1 3.264 1 4 -16.2069970423714 1246859 C1CCC(C1)C(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)Cl 1 3.518 3 1 -1.5085928209214 1246830 CC1=CC(=CS1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 2.3 2 4 -10.6979919445634 1246828 CCCC1=CC(=CS1)C(=O)NC2=NC=C(C=C2)Cl 1 3.598 2 1 -3.71281503568771 1246818 CCC1=C(SC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.169 2 4 -20.4010846245343 1246814 C1COCCN1NC(=O)C2=CC=C(S2)Br 1 0.961 2 2 0 -6.62982350244856 1246813 CC1=CC(=CS1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.515 3 2 0 -17.5442424439211 1246808 CC1=CC(=NO1)C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 2.28 3 2 -3.91264231240024 1246799 C1CN(CCN1C2=CC=CC=C2Cl)C(=S)NCC3=CC=CO3 1 4.252 3 1 -8.02199770855943 1246798 CC1=CC(=CS1)C(=O)NC2=NOC=C2 1 1.415 2 2 0 -7.13924712324898 1246796 C1=CC(=CC=C1CC(=O)NC2=C(C=CS2)C(=O)N)[N+](=O)[O-] 1 1.332 3 4 0 -10.5509818365621 1246780 CC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC=CO3 1 3.232 1 2 -6.94084849419943 1246778 C1=CC(=CC=C1CCNC(=O)C2=NC=CN=C2)Cl 1 1.734 3 1 0 -8.11210910755251 1246773 CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(ON=C2C)C)C(=O)OCC 1 1.905 2 6 0 -16.1076436988568 1246771 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=NC=CN=C2 1 1.794 3 1 0 -1.67457601206371 1246770 CC1=C(C(=NO1)C)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)N 1 1.212 3 3 0 -15.804967457825 1246768 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3CCCCC3 1 3.172 3 3 -6.52506140670135 1246767 CC1=C(C(=NO1)C)C(=O)NC2=NOC=C2 1 0.49 3 3 0 -10.1947103659691 1246759 CC1=CC=C(O1)C(=O)NC2=CC(=CC=C2)NC(=O)C 1 1.275 2 3 0 -4.96323595103108 1246758 C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 4.001 2 1 1.94268561762264 1246755 CC1=C(C(=CS1)C(=O)N2CCN(CC2)S(=O)(=O)C)C3=CC=CC=C3 1 1.577 2 3 0 -14.5818130047161 1246748 COC1=CC(=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC 1 1.795 2 5 0 -20.3212102998119 1246747 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(S3)Cl 1 2.802 1 3 -4.44223922282692 1246746 COC1=CC=C(C=C1)CCC(=O)NC2=NN=C(S2)C(F)(F)F 1 2.912 3 2 -9.78588944173348 1246734 CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2=NOC(=C2)C)C(=O)OCC 1 2.051 2 6 0 -17.3296263022263 1246731 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=NC4=C(S3)CCCC4 1 4.418 3 2 -15.3617420062315 1246728 CC1=CC(=CS1)C(=O)NC2=C(C=C(C=C2Br)F)F 1 3.581 1 1 -3.95600253179436 1246715 COC1=C(C=C(C=C1)C(=O)NC2=C(SC=C2)C(=O)OC)[N+](=O)[O-] 1 2.301 2 6 0 -13.7298201418323 1246707 CC1=CC(=CS1)C(=O)NC2=CC3=C(C=C2)OCO3 1 2.19 1 3 -9.21883650674855 1246695 CC1=C(C(=NO1)C)C(=O)N2CCC3=CC=CC=C32 1 1.777 2 2 0 -15.0671579034346 1246693 C1=CC(=C(C(=C1)Cl)CC(=O)NC2=NOC=C2)F 1 2.512 2 2 -8.16541087006162 1246685 C1=CC=C(C=C1)C(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)Cl 1 4.051 3 1 -7.71983560992997 1246679 CCC1=C(SC=C1C(=O)NC2=C(C=CC(=C2)C(=O)OC)C)C 1 3.706 1 3 -10.6291970072323 1246677 CC1=CC(=CS1)C(=O)NC2=CC=CC=C2SC 1 2.964 1 1 -11.6649061240784 1246663 CC1=C(C(=NO1)C)C(=O)NC2=C(C=CC(=C2)C(C)(C)C)OC 1 2.88 2 3 -9.16991180316477 1246661 CCCC1=CC(=CS1)C(=O)N2CCN(CC2)C3=CC=CC=C3C 1 4.29 2 1 -1.86222124349101 1246657 CC1=CC2=C(C=C1)C(=NC3CCCCC3)C4=CC5=CC=CC=C5N=C42 1 6.142 2 0 6.36753634755962 1246655 CS(=O)(=O)N1CCN(CC1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 0.18 3 5 0 -21.3763796980721 1246653 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=CS3 1 2.601 2 2 -9.56703577828908 1246650 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)OC 1 1.835 2 3 0 -0.336608115344113 1246643 CC1=C(SC(=N1)NC(=O)C2=CC=C(S2)Br)C(=O)N(C)C 1 2.121 3 2 -8.56299464798553 1246640 CC1=CC(=CS1)C(=O)NC2=CN=CC=C2 1 1.271 2 1 0 -6.71917317841082 1246639 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CSC(=C2)C 1 2.086 2 3 -12.831002305974 1246637 CC1=C(C=CO1)C(=O)NCCC2=CC=CC=C2OC 1 2.175 1 3 -10.4726535586567 1246634 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(ON=C2C)C 1 2.469 2 6 0 -21.4417708315039 1246633 COC1=C(C=C(C=C1)Cl)NC(=O)N2CCN(CC2)C3CCCCC3 1 3.615 3 2 -2.25819838351352 1246629 CC1=CC(=NN1C)CNC(=O)CC2=C(C=CC=C2Cl)F 1 2.536 3 1 -17.1232711535413 1246626 COC(=O)C1=C(C=CS1)NC(=O)C2=CC=C(S2)Cl 1 2.835 1 3 -3.71771397524352 1246614 CC1=CC(=NO1)C(=O)NC2=CC=CC=C2CC3=CC=CC=C3 1 3.617 2 2 -12.0409804390309 1246611 CC1=CC(=C(C=C1)NC(=O)C2=NC=CN=C2)OC(F)F 1 2.033 3 2 -8.08523794710266 1246606 CC1=C(C(=NO1)C)C(=O)NC2=C(C=C(C=C2Br)F)F 1 2.656 2 2 -7.17342579633941 1246603 CSC1=CC=CC=C1NC(=O)C2=CN=CC=C2 1 2.005 2 1 -11.6676715139422 1246602 CC1=C(C(=C(S1)NC(=O)COC2=CC=CC=C2)C#N)C3=CC=CC=C3 1 3.779 2 2 -11.3599504420493 1246600 C1CN(CCN1C(=O)C2=CC=C(S2)Cl)S(=O)(=O)C3=CC=CC=C3 1 2.24 2 3 -17.4636182962639 1246597 CC(C)(C)C1CCC(CC1)C(=O)NC2=NC=CS2 1 3.24 2 1 -6.97760748601768 1246592 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(S3)Br 1 2.229 3 2 -13.5994884690924 1246587 CCCC1=CC(=C(S1)NC(=O)C)C(=O)N 1 1.007 2 2 0 -6.08410282791631 1246572 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCN(CC3)S(=O)(=O)C 1 1.668 3 4 0 -23.5007200379822 1246568 CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3CCC3)C 1 4.436 2 1 -5.09519396561277 1246566 CC1=C(C=CC(=C1)F)NC(=O)C2=CN=CC=C2 1 2.155 2 1 -7.65394344658637 1246565 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NOC=C3 1 1.376 2 4 0 -7.35869613495796 1246564 CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NCCC3=CCCCC3 1 3.727 1 4 -17.5571809805283 1246563 CCC1=C(SC=C1C(=O)NC2=CC=NC=C2)C 1 2.214 2 1 -4.52127593054651 1246561 C1CCN(C1)C(=O)C2=CC=C(S2)Br 1 2.226 1 1 -6.48769439721782 1246558 CC1=CC(=CS1)C(=O)N2CCC3(CC2)OCCO3 1 1.116 1 3 0 -10.0342418486071 1246556 C1=CC(=CN=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 0.497 3 3 0 -13.8589367194602 1246546 CN(C)CCNC(=O)C1=CC=C(S1)Cl 1 1.589 2 1 0 -0.480409383726921 1246542 CC1=C(C=CC(=C1)OCC(=O)NC2=NN=C(S2)C3CC3)[N+](=O)[O-] 1 2.323 4 4 0 -13.6314640571457 1246541 CCC1=C(C=C(S1)C(=O)NC2=C(SC=C2)C(=O)OC)Br 1 3.937 1 3 -9.08158774610001 1246540 CC1=CC(=C(O1)C)C(=O)NC2=C(C(=C(S2)C)C)C#N 1 2.306 2 2 -14.0443044125202 1246537 CCC1=C(SC(=C1C(=O)N2CCCCC2)NC(=O)C3=CC=CO3)C 1 3.215 2 3 -10.6799714185937 1246520 C1CN(CCN1CCC2=CC=CC=C2)C(=O)C3=CC=CS3 1 3.059 2 1 -5.83314149922243 1246519 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CSC3=C2CCCC3 1 3.324 2 3 -11.932770023426 1246518 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2)C(=O)CN3CCOCC3 1 0.326 3 4 0 -20.7721537763867 1246517 C1CCC2=C(C1)C=C(S2)C(=O)N3C=CC=N3 1 3.264 2 1 -3.86390450517239 1246514 CCSC1=NN=C(S1)NC(=O)C2=CC=C(S2)Br 1 3.042 3 1 -13.1059476354484 1246503 CN1CCN(CC1)NC(=O)C2=CC=C(S2)Cl 1 1.121 3 1 0 0.732422644453032 1246498 CC1=C2C(=CC=C1)SC(=N2)NC(=O)OC 1 2.705 2 2 -1.99192342151173 1246494 CCOC(=O)C1=C(C(=C(S1)NC(=O)OC)C(=O)OC)C 1 2.217 1 6 0 -17.1598698847277 1246492 C1=CC=C(C(=C1)CNC(=O)CC2=CC=CS2)F 1 2.815 1 1 -12.9427041387925 1246473 C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl 1 3.054 1 3 -7.24462939530011 1246464 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(S3)Br 1 2.783 3 1 -3.68388327181346 1246452 CN1C=C(C=N1)CNC(=O)C2CCCCC2 1 1.733 3 1 0 -7.55197694835687 1246450 CC1=CC(=CS1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 0.803 4 1 0 -4.0082524939671 1246448 CC1=CC=C(O1)C(=O)NC2=NN=C(S2)C3CCCCC3 1 3.016 3 2 -5.82077860932897 1246443 CCC1=CC(=C(S1)NC(=O)C2=C(OC=C2)C)C(=O)OC 1 2.318 1 4 -9.55349070886287 1246438 CC1=CC(=C(S1)NC(=O)C2=CC=CO2)C(=O)OC 1 1.797 1 4 0 -5.11450579718988 1246435 C1=CC=C(C(=C1)CNS(=O)(=O)C2=CC=CS2)Br 1 2.859 1 2 -5.75506238529884 1246434 C1CCC(CC1)C2=NN=C(S2)NC(=O)C3=CC=C(S3)Br 1 3.997 3 1 -6.32689107117941 1246426 C1=CC=C(C(=C1)CNC(=O)CC2=CC=CS2)Br 1 3.358 1 1 -11.9107981179824 1246425 CC1=CC(=CS1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.134 2 3 0 -14.6784831163257 1246423 CCCC1=CC(=C(S1)NC(=O)OCC)C(=O)OC 1 2.852 1 4 -8.02808798646424 1246418 CC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)NC3=CC=CC=C3C(=O)C 1 2.712 3 3 -7.28141183362007 1246414 CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2=CN=CC=C2)C(=O)OCC 1 1.872 2 5 0 -12.3134985976703 1246404 CC1=CC(=C(C=C1)Cl)OCC(=O)NCC2=CC=CO2 1 2.789 1 3 -10.0886732325037 1246396 C1CCC2=C(CC1)SC(=C2)C(=O)NCC3=CC=CO3 1 3.596 1 2 -12.8312500148035 1246385 C1=C(SC(=C1)Br)C(=O)NC2=NN=C(S2)C(F)(F)F 1 2.959 3 1 -5.49779840743603 1246384 C1CC1C2=NN=C(S2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.036 4 3 0 -11.2309682611337 1246380 COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(S2)Br)OC 1 3.11 1 3 -10.712339781395 1246379 CC1=C(C=CO1)C(=O)NC2=C(C=C(C=C2Br)F)F 1 3.023 1 2 -0.630214477760048 1246378 CC1=CC(=NO1)C(=O)NC2=CC(=C(C=C2)OC)OC 1 1.61 2 4 0 -16.0317915584341 1246373 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC=CN=C2 1 2.253 3 1 -2.24827229242315 1246367 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CC=C(S3)Br 1 3.774 2 1 0.231788167742453 1246365 C1CCN(C1)C(=S)SCC(=O)C2=CC(=CC(=C2O)Br)Br 1 5.176 1 2 1.1823050828713 1246309 CC1=C(C=CO1)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 1.686 1 6 0 -11.601296852065 1246313 CCSC1=NN=C(S1)NC(=O)C2=CSC(=C2)C 1 2.328 3 1 -16.851806375999 1246314 C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=NOC=C3)Cl 1 3.425 2 2 0.578257786967243 1246317 CC1=CN(N=C1)C(=O)C2=C(C3=CC=CC=C3O2)C 1 3.495 2 2 3.96930087156042 1246319 COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.331 2 3 -3.78055818132202 1246322 CC(=O)NC1=CN(N=C1)CC2=CC=C(C=C2)Br 1 1.932 3 1 0 -7.62864403725763 1246355 CC1=CC(=NO1)C(=O)NC2=C(C(=C(S2)C)C)C#N 1 1.939 3 2 0 -18.6019834593767 1246353 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC 1 2.983 2 6 0 -17.0571719372411 1246348 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(S3)Br 1 1.517 4 1 0 -3.09519387053117 1246339 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(S3)Br 1 4.193 1 1 -5.98013518708042 1246336 CC1=CC(=NO1)C(=O)NCC2=CC=CO2 1 0.831 2 3 0 -15.9867303546815 1246330 CC1=C(C(=NO1)C)C(=O)NCCC2=CC=C(C=C2)Cl 1 2.489 2 2 -9.17339523610124 1246306 CC1=C(C(=CS1)C(=O)NN2C=NN=C2)C3=CC=CC=C3 1 1.559 4 1 0 -3.16033986570595 1246298 CCC1=C(SC=C1C(=O)N2CCOCC2)C 1 1.681 1 2 0 -7.79876706819788 1246292 CC1=CC(=CS1)C(=O)NCC2=CC=CC=C2F 1 2.634 1 1 -10.4450648318683 1246282 C1=CC(=C2C(=C1)SC(=C2Cl)C(=O)NC3=CN=CC=C3)F 1 3.487 2 1 7.08644588137532e-002 1246268 COC1=CC=CC(=C1OC)C(=O)NC2=NCCS2 1 2.069 2 3 -13.8697768146662 1246262 CC1=C(C=CO1)C(=O)N2CCC3(CC2)OCCO3 1 0.558 1 4 0 -7.67155493185935 1246261 CCC1=C(C=C(S1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)Br 1 3.162 2 3 -13.0563375300936 1246260 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CS3 1 1.677 3 3 0 -21.155014572762 1246248 C1=CON=C1NC(=O)C2=CC=C(S2)Cl 1 2.02 2 2 -0.132315886877693 1246241 CC1=CC(=C(O1)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 1.494 3 4 0 -12.0618640856927 1246230 C1=CC(=CC=C1CCNC(=O)C2=CC=C(S2)Br)Cl 1 4.128 1 1 -3.4505428906869 1246228 CC1=C(SC(=C1C#N)NC(=O)C2=C(C3=CC=CC=C3O2)C)C 1 3.993 2 2 -5.33959804682027 1246224 COC1=CC=CC=C1C(=O)N2CCN(CC2)CCC3=CC=CC=C3 1 3.089 2 2 -3.89158458103459 1246218 CCC1=C(SC(=C1C(=O)N2CCOCC2)NC(=O)C3=CC=CO3)C 1 1.985 2 4 0 -12.2482678683693 1246204 CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4 1 4.495 1 4 -6.89756625637491 1246200 CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(S2)Cl 1 0.664 2 3 0 -15.0839230430911 1246194 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CC(C)(C)C 1 3.122 2 2 -8.40081263238824 1246193 C1=CC=C(C(=C1)C(=O)NC2=NOC=C2)F 1 1.813 2 2 0 -6.49930286838937 1246184 CC(C)(C)C1CCC(CC1)C(=O)NC2=CN=CC=C2 1 3.092 2 1 -5.1224851424274 1246175 C1=CC(=CC(=C1)Cl)CNC(=O)C2=CC=CO2 1 2.681 1 2 -4.72170948410896 1246172 CCC1=C(SC=C1C(=O)NC2CCCC2)C 1 3.19 1 1 -6.32009043684516 1246166 COC(=O)N1CCN(CC1)CCC2=CC=CC=C2 1 2.084 2 2 9.1100931133099e-002 1246165 C1=CC(=CC(=C1)Cl)CNC(=O)CC2=CC=CS2 1 3.274 1 1 -9.38298178629369 1246159 CC1=CC(=NO1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)OC 1 2.025 4 3 0 -13.6786103967682 1246158 CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2=NC=CN=C2)C(=O)OCC 1 1.15 3 5 0 -14.0155700762096 1246156 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.375 2 2 3.22826720493371 1246154 C1=CON=C1NC(=O)C2=CC=C(S2)Br 1 2.129 2 2 -3.38278974275417 1246153 C1=CC=C2C(=C1)C(=CS2)C(=O)NN3C=NN=C3 1 1.095 4 1 0 -4.97973168910175 1246150 C1=CC=C(C=C1)OCC(=O)NC2=C(C=CS2)C(=O)N 1 1.238 2 3 0 -8.70970846294275 1246132 C1CCN(CC1)CCNC(=O)NC2=CC(=C(C=C2)F)Cl 1 2.872 3 1 -4.32691853921459 1246126 CC(C)(C)CC(=O)NCC1=CC=CS1 1 2.278 1 1 -12.9427440652177 1246120 C1=CC(=C(C(=C1)F)C(=O)NC2=CC=NC=C2)F 1 1.875 2 1 0 -6.06675785706676 1246117 CC1=C(C=CO1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl 1 3.451 2 2 0.701887690614453 1246104 CS(=O)(=O)N1CCN(CC1)C(=O)CC2=CC=CS2 1 0.239 2 3 0 -21.6145647634936 1246103 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C(=CC=C3)Cl)Cl 1 3.59 3 1 -1.29752277105787 1246102 C1=CSC(=C1)CC(=O)NC2=NOC=C2 1 1.596 2 2 0 -8.69103858675315 1246101 CCC1=CC=C(S1)C(=O)NC2=C(C=CC(=C2)C)F 1 4.072 1 1 -3.34929256983344 1246099 C1CN(CCN1C2=CC=CC=C2Cl)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 4.047 4 2 -11.7237164414739 1246096 CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCC2)C(=O)N(C)C 1 1.997 2 4 0 -12.7606347494551 1246094 CCC1=C(SC=C1C(=O)NC2=NN(C=N2)CC3=CC=CC(=C3)C)C 1 3.921 4 1 -7.65765645545264 1246090 CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2)Cl)Cl 1 3.529 2 2 1.68123329098524 1246088 C1=CC=C(C(=C1)C2=CSC(=N2)NC(=O)C3=CN=CC=C3)Cl 1 3.072 3 1 -1.77315589517196 1246077 COC1=CC=CC=C1CCNC(=O)C2=NC=CN=C2 1 1.053 3 2 0 -14.7099100173749 1246072 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Br)Cl 1 4.574 2 2 -5.98965416126311 1246068 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NOC=C2 1 2.605 2 5 0 -11.5628609084421 1246066 CCC1=CC=C(S1)C(=O)NC2=NC(=CS2)C 1 2.66 2 1 -5.17446405388193 1246065 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3)[N+](=O)[O-] 1 2.367 3 5 0 -13.73908781795 1246062 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=CC=C3F)F 1 1.406 4 1 0 -3.13904049200833 1246057 C1COCCN1NC(=O)C2=C(C3=C(C=CC=C3S2)F)Cl 1 2.462 2 2 -2.60306240311056 1246054 CCC1=CC=C(S1)C(=O)N2CCCC2 1 2.47 1 1 -7.931730308227 1246051 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C4=C(C=CC=C4S3)F)Cl 1 3.018 4 1 2.47639255451496 1246048 C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=CC=CC=C3F 1 2.595 1 3 -10.6645138435773 1246046 CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 0.39 4 2 0 -4.73065155264328 1246044 C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=CC=C3Cl 1 3.727 3 1 -4.85121543520527 1246043 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O 1 0.92 5 5 0 -9.87504193034214 1246037 C1=CC=NC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-] 1 2.506 4 5 0 -13.7085799363814 1246027 CCOC1=C(C=C(C=C1)CC(=O)NNC(=S)NC2=CC=CC=C2)Br 1 4.389 3 2 -9.17000566388831 1246026 C1CCC(CC1)NC(=O)N2CCN(CC2)CCC3=CC=CC=C3 1 3.295 3 1 -5.37558845075984 1246024 COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3CCCCC3 1 3.534 2 2 -3.9242872990558 1246021 COC(=O)NC1=NN(C=C1Br)CC2=CC=CC=C2F 1 3.32 3 2 -7.44507266594676 1246020 CC1=C(C=CC(=C1)OCC(=O)N2CCCCCC2)[N+](=O)[O-] 1 2.833 2 4 -10.994281610077 1246013 COC(=O)C1=C(C=CS1)NC(=O)C2=CC=C(S2)Br 1 2.944 1 3 -6.96818783112 1246005 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C4=CC=CC=C4S3)Cl 1 4.079 3 1 2.64675742921191 1245998 COC1=CC=CC=C1CCNC(=O)C2=CSC3=C2CCCC3 1 3.971 1 2 -12.6849375089033 1245987 CC1=C(C(=NO1)C)C(=O)N2CCC3(CC2)OCCO3 1 0.191 2 4 0 -14.4851114708991 1245980 CCC1=NOC(=C1C(=O)N2CCCC2)C 1 1.254 2 2 0 -14.7693257800424 1245978 CSC1=CC=CC=C1NC(=O)C2=NC=CN=C2 1 1.283 3 1 0 -12.9300936701978 1245977 C1CSC(=N1)NC(=O)C2=CC=C(S2)Cl 1 2.515 2 1 -6.42339697559052 1245975 C1COCCN1C(=O)CC2=CC=CC=C2Cl 1 1.63 1 2 0 -9.24749451259553 1245970 CC1=CC(=NO1)C(=O)NC2=NN=C(S2)C(F)(F)F 1 1.465 4 2 0 -13.6830630159011 1245969 C1=CC(=CC=C1CCNC(=O)C2=CC=C(S2)Cl)S(=O)(=O)N 1 2.06 2 3 -7.69246375923715 1245967 CC1=CC(=CS1)C(=O)NC2=C(SC=C2)C(=O)OC 1 2.231 1 3 -10.6040655728526 1245966 C1CC1C2=NN=C(S2)NC(=O)CC3=CC=CS3 1 2.095 3 1 -11.9250147358022 1245965 C1CC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.377 2 3 0 -18.8141814693282 1245963 CCC1=CC=C(S1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.844 2 1 -3.30434426851023 1245960 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4 1 4.264 4 2 -17.8621982110051 1245954 CC1=C(C=CO1)C(=O)N2CCN(CC2)S(=O)(=O)C 1 -0.5 2 4 0 -16.8847686056557 1245953 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC=C(C=C3)F 1 4.159 3 2 -7.12966612768225 1245951 CC1=CC(=NO1)C(=O)NC2=CC(=CC=C2)NC(=O)C 1 0.763 3 3 0 -13.7190170085502 1245950 CC1=C(SC(=C1C#N)NC(=O)CCC2=CC=C(C=C2)OC)C(=O)N(C)C 1 2.946 3 3 -19.2530262417921 1245948 COC(=O)NCC1=CC2=C(N1)C=CC(=C2)Cl 1 2.636 2 2 4.16083854357123 1245940 CC1=CC(=NO1)C(=O)NC2=C(C=C(C=C2Br)F)F 1 2.802 2 2 -8.39540839970884 1245933 CC1=C(OC2=CC=CC=C12)C(=O)NC3=NC(=C(S3)C(=O)N(C)C)C 1 2.681 3 3 -3.04462820821953 1245932 CC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC=NC=C3 1 2.687 2 1 -8.51113556014442 1245929 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CN=CC=C2)OC 1 1.286 2 5 0 -14.8277858168897 1245926 C1CN(CCN1C(=O)COC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 1.45 2 4 0 -18.2172363345939 1245925 CCC(CC)(C#C)NC(=O)C1=C(ON=C1C)C 1 2.742 2 2 -12.3222524841982 1245924 CC1=CC(=CS1)C(=O)NC2=NC3=C(S2)CCCC3 1 2.809 2 1 -9.73473232105161 1245868 CCC1=CC(=CS1)C(=O)NC2=CC=CC=C2 1 3.089 1 1 -7.01693837453847 1245872 C1=CC=C(C=C1)CC2=CC(=C(S2)NC(=O)C3=CC=CO3)C(=O)N 1 2.643 2 3 -7.63691471357444 1245882 CC1=C(C=CO1)C(=O)NC2=NN=C(S2)C3CCCCC3 1 2.725 3 2 -6.88679966191738 1245885 CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=CS2)C 1 2.876 1 3 -17.048852562349 1245922 C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br 1 3.238 2 2 -8.26335066977134 1245921 CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4 1 3.615 2 4 -5.70217853596835 1245915 CC1=C(C(=NO1)C)C(=O)N2CCC(CC2)CC3=CC=CC=C3 1 2.783 2 2 -8.12856799188078 1245914 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(S4)Br 1 3.074 2 3 -4.01475755253577 1245910 CCC1=NOC(=C1C(=O)NC2=NC(=CS2)C3=C(C=C(C=C3)Cl)Cl)C 1 4.436 3 2 -6.66014517855085 1245905 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(OC(=C3)C)C 1 2.6 2 3 -7.46493035708134 1245900 CCSC1=NN=C(S1)NC(=O)C2=CC3=C(S2)CCCC3 1 3.857 3 1 -17.507217237081 1245893 CC1=C(C(=CS1)C(=O)NCC2=CC=CO2)C3=CC=CC=C3 1 3.129 1 2 -6.69926489615905 1245889 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=NOC=C2 1 2.55 2 2 -1.90962704692232 1245863 C1=COC(=C1)CNC(=O)C2=CC=C(S2)Br 1 2.324 1 2 -8.15094581602083 1245855 CC1=CC(=NO1)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC 1 3.094 2 4 -11.9878299192702 1245854 C(C1=NN=C(S1)N)C(=O)NN 1 -1.491 5 1 0 -4.99190864119096 1245853 CCC(=O)NC1=C(C=CS1)C(=O)OC 1 1.259 1 3 0 -9.26134174042451 1245852 CCC1=NOC(=C1C(=O)NCCC2=CC(=C(C=C2)OC)OC)C 1 2.459 2 4 -18.9749141699803 1245848 CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 1.656 3 2 0 -5.24390703690749 1245842 CC1=CC(=NO1)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 1.289 4 2 0 -7.82831375195615 1245830 COC1=CC=CC=C1CCNC(=O)C2=CC=C(S2)Br 1 3.447 1 2 -10.0483438005093 1245828 CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 1.229 3 4 0 -15.7116745144085 1245813 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CN=CC=C3 1 1.706 3 2 0 -3.08204354476781 1245812 CC1=CC(=C(O1)C)C(=O)NC2=NOC=C2 1 1.002 2 3 0 -7.02097394430697 1245810 CCC1=CC=C(S1)C(=O)NC2CCCCC2 1 3.662 1 1 -7.57408932253065 1245805 CC1=CN=C(S1)NC(=O)C2=CC=NC=C2 1 0.606 3 1 0 -5.48114146609841 1245802 CC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC3=CC=CC=C3C=C2 1 2.716 2 3 -8.1170525820024 1245792 CCC1=C(N=C(S1)NC(=O)C(C)C)C2=CC=CC=C2 1 3.836 2 1 -3.22909504527199 1245786 CC1=CC(=CS1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2 2 3 0 -20.1068768419752 1245738 CC(C)(C)C1=CC(=NO1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.194 3 4 0 -13.4430073021929 1245736 COC1=C(C=C(C=C1)C(=O)NC2=NC=CN=C2)[N+](=O)[O-] 1 0.73 4 4 0 -10.0781438675173 1245731 CN1CCC(CC1)NC(=O)C2=CC=CS2 1 1.102 2 1 0 -4.8364421492098 1245729 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4 1 1.917 4 6 0 -17.7213856511754 1245725 C1=CC(=CC(=C1)Cl)CNC(=O)C2=CC=NC=C2 1 2.135 2 1 -5.62227066916329 1245722 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N 1 3.064 3 4 0 -19.0109723939593 1245720 CC1=CC(=CS1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 2.257 3 4 0 -12.3449073290912 1245777 C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC=C(S3)Br 1 3.523 2 1 -5.98887358050098 1245776 CC1=C(C=CO1)C(=O)NC2=NN=C(S2)C3=CC=NC=C3 1 1.112 4 2 0 -6.37291551235732 1245775 CCN1C(=C(C(=N1)C)NC(=O)C2=C(C=CC(=C2)Br)Cl)C 1 3.454 3 1 -3.79431447820519 1245773 CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2=O 1 0.281 2 5 0 -22.969611287143 1245763 C1=CN(N=C1)C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O 1 1.852 3 5 0 -8.11834367610291 1245760 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=C(C4=C(S3)CCC4)C#N 1 3.753 3 2 -22.001371594874 1245751 CC1=CC=C(O1)C(=O)NC2=CC=CC=C2SC 1 2.697 1 2 -7.48836883869535 1245746 CC1=CC(=CS1)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 2.244 1 5 -15.1376864747904 1245716 CCC1=NOC(=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)C 1 3.751 3 2 -8.95393806850383 1245690 CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C 1 5.022 3 2 -9.75340671605199 1245692 CC1=CC(=CS1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.36 2 3 -4.99222016317525 1245695 C1=CC(=C(C=C1Br)Cl)NC(=O)C2=NC=CN=C2 1 2.154 3 1 -5.12008442369211 1245700 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4 1 2.381 2 4 -5.80180594325993 1245705 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NCC3=CC=CC=C3Br 1 3.383 1 4 -14.0185233263745 1245709 CC1=CC=C(O1)C(=O)NC2=NN=C(S2)C3=CC=NC=C3 1 1.403 4 2 0 -5.30689445976891 1245715 CC1=CC=C(O1)C(=O)NC2=CC3=C(CCC3)C=C2 1 3.212 1 2 -5.56005528219223 1245713 CC1=CC2=C(C=C1)N(CCC2)C(=O)C3=C(OC=C3)C 1 3.086 1 2 -6.84551787958568 1245680 CCOC(=O)C1=CC=C(C=C1)NC(=O)NCCN2CCCCC2 1 2.206 3 3 -10.647788339222 1245677 CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC(=CC=C3)NC(=O)C 1 2.816 2 3 0.139920394693507 1245673 CC1=CC(=CS1)C(=O)NC2=NN=C(S2)C3CCCCC3 1 3.283 3 1 -10.0727498117301 1245667 CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(S2)Br 1 0.773 2 3 0 -18.3343968989675 1245665 C1CN(CCN1CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(F)(F)F 1 4.048 2 1 2.9988551372917 1245660 C1CCC(C1)NC(=O)C2=CC=C(S2)Br 1 2.961 1 1 -5.7755848973534 1245659 COC1=C(C=C(C=C1)Br)C=NNC(=O)C2=C(C=CC(=C2)Br)O 1 3.921 2 3 2.74540564853347 1245657 CC1=CC(=CS1)C(=O)NCC2=CC=CO2 1 1.61 1 2 0 -11.1615737570283 1245654 CCC1=C(SC=C1C(=O)NC2=CC=CC=C2C(=O)N)C 1 2.366 2 2 -7.15965725992511 1245652 CN(C)CCNC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O 1 1.955 2 3 0 -10.5583154428607 1245649 C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 1.372 3 6 0 -11.0260659303476 1245647 C1=CC=C(C=C1)CC(=O)NC2=C(C(=CS2)C3=C(C=C(C=C3)Cl)Cl)C(=O)N 1 4.285 2 2 -3.72535339489964 1245644 C1CN(CCN1CCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 3.135 2 3 -7.19229708191166 1245639 C1CCCN(CC1)C(=O)C2=CSC3=CC=CC=C32 1 3.479 1 1 -4.90897084053023 1245634 C1=CC=C(C(=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)Cl 1 2.798 3 3 -10.9066637197354 1245632 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(S3)Br 1 2.911 1 3 -7.6927130787034 1245630 CC1=CC=C(S1)C(=O)N2CCN(CC2)C3CCCCC3 1 3.158 2 1 -4.33653864237704 1245628 CS(=O)(=O)N1CCN(CC1)C(=O)CC2=CC=CC=C2Cl 1 0.95 2 3 0 -19.1714320504016 1245625 CC1=CC(=NO1)C(=O)NC2=NN=C(S2)C3CCCCC3 1 2.503 4 2 -14.5121556796445 1245621 CC1=CC(=C(O1)C)C(=O)N2CCC(CC2)CC3=CC=CC=C3 1 3.296 1 2 -4.40009742826494 1245613 C1OC2=C(O1)C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)Cl 1 3.375 1 3 -6.68061984340338 1245607 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(S3)CCCC4 1 3.949 2 2 -8.47475546949363 1245606 C1CN(CCC12OCCO2)C(=O)C3=CC4=C(C=C3)OCO4 1 1.076 1 5 0 -9.08533325266651 1245602 CCC1=C(C=C(S1)C(=O)NCC2=NN(C(=C2)C)C)Br 1 3.146 3 1 -14.5666975850456 1245585 CC1=C(SC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C)C3=CC=CC=C3 1 2.501 2 3 -15.2531385656835 1245581 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=NCCS3 1 3.519 3 2 -19.1327718141598 1245580 CC1=C(OC2=CC=CC=C12)C(=O)N3CCN(CC3)CCC4=CC=CC=C4 1 4.187 2 2 7.47686890666331 1245575 CC1=CC=C(S1)C(=O)NC2=NC3=CC=CC=C3S2 1 3.339 2 1 -1.01025810656139 1245572 C1CCC(CC1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C4=CC=CO4 1 3.789 2 3 -15.9383861871895 1245566 CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=CC=C(C=C2)N3CCCC3 1 4.71 2 2 -2.14197080665304 1245565 CCC1=C(C=C(S1)C(=O)NC)Br 1 2.552 1 1 -7.6455954583171 1245558 CCC1=C(C=C(S1)C(=O)N2CCC3(CC2)OCCO3)Br 1 2.822 1 3 -9.17206892828532 1245556 CSC1=CC=CC=C1NC(=O)C2=CC=C(S2)Cl 1 3.568 1 1 -4.65797488770706 1245537 CC1=CC(=C(O1)C)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 0.721 2 4 0 -15.0844079873182 1245536 CC1=C(C=CC(=C1)OCC(=O)N2CCOCC2)[N+](=O)[O-] 1 1.147 2 5 0 -12.5625780598526 1245529 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(S3)Cl 1 1.408 4 1 0 0.155279985345311 1245528 CC1=CN(N=C1)C(=O)C2=CC=CC=C2Br 1 3.162 2 1 -1.19811048291957 1245526 C1=CSC(=C1)C(=O)NC2=NC=CN=C2 1 0.805 3 1 0 -5.45435606587954 1245525 COC1=CC=CC=C1CNC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.635 1 4 -16.288925185211 1245524 C1=CSC(=C1)CC(=O)NC2=NN=C(S2)C3=CC=NC=C3 1 1.851 4 1 0 -10.6415993310719 1245520 CC1=C(OC2=CC=CC=C12)C(=O)N3CCC4=CC=CC=C4C3 1 3.983 1 2 -0.407491735273466 1245519 CCCC1=CC(=CS1)C(=O)NC2=NN=C(S2)C 1 2.279 3 1 -12.7882062418955 1245514 CC1=C(C=CC(=C1)F)NC(=O)C2=NC=CN=C2 1 1.433 3 1 0 -9.01375982936672 1245506 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(S3)Cl 1 3.285 2 1 0.41698527776794 1245502 CCC1=CC=C(S1)C(=O)NCC2=CC=CS2 1 3.127 1 1 -10.6624698222384 1245495 C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4 1 3.389 2 3 -20.4891790818346 1245479 CCCC1=CC(=CS1)C(=O)NC2=CC=C(C=C2)C(=O)OC 1 3.4 1 3 -8.39320209443736 1245477 C1CCC(CC1)N2CCN(CC2)C(=S)NCC3=CC=CC=C3 1 4.592 3 0 -8.26386847402011 1245476 CC1=C(OC2=CC=CC=C12)C(=O)NC3=NN=C(S3)C(F)(F)F 1 3.518 3 2 0.208864626663781 1245473 CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC=CC=N3 1 3.084 2 2 3.60446514436092 1245472 CC1=CC(=NO1)C(=O)NCCC2=CC=C(C=C2)Cl 1 2.635 2 2 -11.2863274293476 1245461 CC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=NOC=C4)C 1 4.599 5 2 0 -9.29132556331165 1245459 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC(=C3)C(F)(F)F 1 2.97 2 4 -15.3833510267851 1245453 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)OC 1 3.114 1 4 -10.3370536380591 1245449 CC1=CC(=CS1)C(=O)NC2=C(C=C(C=C2)F)C 1 3.113 1 1 -8.07670678180275 1245444 CC1=CC(=CS1)C(=O)NC2=NN=C(S2)C(F)(F)F 1 2.245 3 1 -9.24365714798667 1245437 CCCC(=O)NC1=C(C(=C(S1)C)C2=CC=C(C=C2)OC)C#N 1 3.386 2 2 -15.2699183976165 1245434 C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4 1 4.184 3 1 -12.4452036829691 1245433 C1CC(C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.365 2 1 4.92017657552915 1245419 C1CCC2=C(C1)C(=CS2)C(=O)N3C=CC=N3 1 2.973 2 1 -2.80113303971851 1245418 CC1=CC=C(O1)C(=O)NCCC2=CC=CC=C2OC 1 2.467 1 3 -9.60504927939122 1245407 C1CCC2=C(C1)N=C(S2)NC(=O)C3=CN=CC=C3 1 1.851 3 1 0 -9.56466956737259 1245406 C1=CSC(=C1)CC(=O)NCCC2=CC=C(C=C2)Cl 1 3.595 1 1 -8.99477996043264 1245404 CC1=CC(=CS1)C(=O)N2CCN(CC2)S(=O)(=O)C 1 5.9e-002 2 3 0 -19.2474555224035 1245402 C1CSC(=N1)NC(=O)C2=CSC3=CC=CC=C32 1 2.964 2 1 -10.1658188980291 1245396 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(S3)Cl 1 2.795 1 3 -2.07206736615562 1245389 CC1=CC(=CS1)C(=O)NC2=CC=CC=N2 1 1.81 2 1 0 -5.60420971625904 1245387 CCC1=C(SC(=C1C#N)NC(=O)CC#N)C 1 1.763 3 1 0 -16.1102685778747 1245379 COC1=CC=C(C=C1)CCC(=O)N2CCC3(CC2)OCCO3 1 1.783 1 4 0 -9.50323708130932 1245378 CN1CCN(CC1)NC(=O)C2=CC(=CC=C2)C(F)(F)F 1 1.651 3 1 0 -0.422924561840496 1245370 C1=CC=C(C(=C1)CNC(=O)C2=CC=NC=C2)Br 1 2.219 2 1 -8.150087000852 1245368 COC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F 1 1.012 2 4 0 -16.626434859582 1245366 CC1=CC(=CS1)C(=O)NC2=NCCS2 1 1.91 2 1 0 -13.5057621289799 1245362 CC1=CC=C(S1)C(=O)NCC2=CC=CC=C2OC 1 2.704 1 2 -9.31898838114774 1245360 CCC1=C(SC=C1C(=O)NCC2=CN(N=C2)C)C 1 2.021 3 1 -8.35996316891226 1245353 CC1=C(C=CC(=C1)C(=O)NC2=NN(C=N2)CC3=CC=C(C=C3)F)[N+](=O)[O-] 1 3.271 5 3 0 -11.9721605364507 1245352 C1=CC(=CN=C1)C(=O)NC2=NN=C(S2)C(F)(F)F 1 1.287 4 1 0 -9.07359439430764 1245341 CC1=CC=C(O1)C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3 1 2.947 2 3 -9.13261500436029 1245328 C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 2.695 2 2 -10.3744077819618 1245327 C1CC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=NC=C3 1 2.056 3 1 -18.6035425009774 1245321 CC1=CC(=NO1)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 1.465 2 6 0 -19.5770923427048 1245320 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3F)F 1 3.516 2 3 -19.9883838296048 1245313 C1CC(C1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 1.95 1 3 0 -3.5664964703381 1245305 CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)OC)C 1 2.741 3 2 -8.19563801958537 1245304 CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=C(S2)Cl)C 1 2.447 2 2 -3.53164285140431 1245299 CCC1=NOC(=C1C(=O)N2CCOCC2)C 1 0.48 2 3 0 -16.6920907439861 1245297 C1CCN(CC1)CCNC(=S)NC2=CC=C(C=C2)Br 1 4.316 3 0 -7.67222166694846 1245296 CC1=CC(=C(N1C2=CC=CC=C2F)C)/C=C\3/C(=C(NC3=O)C)C(=O)OC 1 2.856 2 3 -11.6919702559828 1245295 COC1=CC=C(C=C1)CCC(=O)NC2=NC=C(C=C2)Br 1 3.226 2 2 -9.36154540862017 1245285 CCCC1=CC(=CS1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.439 2 3 -7.7707041464728 1245284 CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.441 2 4 0 -16.9963606091807 1245272 CC1=C(C=CO1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC 1 2.473 2 3 -2.62495931348454 1245271 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CN=CC=C2 1 1.128 3 3 0 -12.6558360016659 1245270 CC1=C(C=CO1)C(=O)NC2=CC3=C(CCC3)C=C2 1 2.921 1 2 -6.62607633478064 1245269 CC1=CC(=NO1)C(=O)NCC2=CC=CS2 1 1.389 2 2 0 -16.6814955223161 1245261 CC1=C(C(=NO1)C)C(=O)NCCC2=CCCCC2 1 2.247 2 2 -14.5582801474399 1245208 CS(=O)(=O)N1CCN(CC1)C(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 1.511 2 4 0 -18.5193150744983 1245253 C1CCCN(CC1)C(=O)C2=CC(=CC=C2)C(F)(F)F 1 3.559 1 1 -1.35724385084562 1245243 C1=CC2=C(C=C1Br)C=C(C(=O)O2)C(=O)NN3C=NN=C3 1 1.011 4 3 0 -10.8227083264761 1245238 CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(OC=C2)C)C(=O)OCC 1 2.272 1 6 0 -9.56443238027747 1245237 C1=CC(=CC=C1CCNC(=O)C2=CC=C(S2)Br)S(=O)(=O)N 1 2.169 2 3 -10.9429376151136 1245230 CC1=C(SC(=N1)NC(=O)C2=CSC3=C2CCCC3)C(=O)OC 1 3.086 2 3 -10.7797418528262 1245228 CC(C)(C)C1=CC(=NO1)NC(=O)C2=CC=CS2 1 3.253 2 2 -10.5008538458817 1245227 CS(=O)(=O)N1CCN(CC1)C(=O)C2=C(C=CC=C2F)F 1 0.662 2 3 0 -18.2808492939199 1245223 C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CN=CC=C3 1 3.253 2 1 -6.3658230306212 1245196 CCCC1=CC(=CS1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.726 2 5 0 -24.6711756491842 1245183 CC1=C(C(=NO1)C)C(=O)N2CCC3=CC=CC=C3C2 1 1.784 2 2 0 -15.5615246673704 1245179 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 1.009 4 4 0 -7.75057170852019 1245175 CCOC1=CC=CC=C1NC(=O)C2=CSC(=C2C)C 1 3.24 1 2 -6.9832746928034 1245174 C1=CSC(=C1)CC(=O)NCC2=CC=CS2 1 2.349 1 1 -13.2540104588536 1245164 COC(=O)C1=C(C=CS1)NC(=O)C2=CSC3=C2CCCC3 1 3.468 1 3 -9.70583329030461 1245157 CCC1=NOC(=C1C(=O)NC2=C(C(=C(S2)C(=O)N(C)C)C)C#N)C 1 2.02 4 3 0 -25.3690249999661 1245155 CC1=CC(=C(O1)C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.102 3 3 0 -17.425969264979 1245151 C1CN(CCC12OCCO2)C(=O)C3=C(C4=CC=CC=C4S3)Cl 1 3.126 1 3 -2.62212952713338 1245150 CC1=CC(=NO1)C(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C#N 1 2.793 3 4 0 -14.9788185909738 1245144 CCC1=C(SC(=C1C(=O)N2CCOCC2)NC(=O)OC)C 1 1.569 2 4 0 -12.6031124619965 1245143 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)N 1 3.746 3 3 -18.0747159742383 1245138 C1=CSC(=C1)CC(=O)NC2=NC(=CS2)C3=C(C=C(C=C3)F)F 1 3.957 2 1 -2.29083425370383 1245136 C1CCC2=C(CC1)SC(=C2)C(=O)NN3C=NN=C3 1 2.026 4 1 -9.86844149988103 1245134 CCC1=C(C=C(S1)C(=O)NC2=CC3=C(C=C2)OCCO3)Br 1 3.914 1 3 -9.02108019480219 1245133 CC(C)C1=CC(=C(S1)NC(=O)C2=C(C(=CC=C2)OC)OC)C(=O)N 1 2.645 2 4 -8.00721757120656 1245119 CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3CCC3 1 2.82 2 1 -0.294469523618705 1245109 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 1 2.084 2 4 -17.3890799699033 1245100 C1CN(CCC12OCCO2)C(=O)CC3=CC=CS3 1 1.297 1 3 0 -12.4013510896973 1245098 C1CN(CCN1C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CS3 1 3.027 2 2 -8.71713546126905 1245092 CC1=CC(=C(S1)NC(=O)C2=CN=CC=C2)C(=O)OC 1 1.251 2 3 0 -8.00351900557165 1245084 CC1=CC(=CC(=C1)C(=O)NN2CCOCC2)C 1 1.412 2 2 0 -8.45242357983448 1245076 CC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC4=C(C=C3)OCO4 1 3.605 1 3 -9.80557254980632 1245075 CC(C)C1=CC(=C(S1)NC(=O)C2CCC2)C(=O)N 1 2.228 2 2 -1.19577147495004 1245070 COC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=O)N2)Br)OCC3=CC=C(C=C3)C(=O)O 1 2.665 2 6 0 -11.8568876188821 1245068 C1=CC(=CN=C1)C(=O)NC2=C(C=CS2)C(=O)NCC3=CC=CO3 1 1.223 3 3 0 -15.3045584802392 1245067 C1=CC(=CC=C1/C=C/2\C(=O)NC(=O)N2)OCC(=O)NC3=CC=C(C=C3)F 1 1.562 3 4 0 -13.2871895263521 1245066 COC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCC3=CC=CO3 1 2.736 2 4 -20.0874879199698 1245058 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC=CN=C2 1 1.849 3 4 0 -11.4032437906016 1245049 CCC1=C(SC(=C1C(=O)N2CCCCC2)NC(=O)OC)C 1 2.799 2 3 -11.0348160122209 1245041 CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)C4=CC=CC=C4C3=O 1 4.557 0 5 0.71344805579705 1245039 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3 1 2.473 2 3 -10.7028687465093 1245035 CCCC1=CC(=C(S1)NC(=O)C2=C(OC=C2)C)C(=O)N 1 1.921 2 3 0 -5.78639837378869 1245033 CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NCC3=CN=CC=C3 1 1.833 2 4 0 -17.4149298639332 1245029 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=CS2)C#N 1 2.174 3 3 -12.319484998276 1245020 CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=NOC(=C3)C 1 2.115 2 5 0 -20.4615292941764 1245007 C1=CC(=CN=C1)CNC(=O)C2=CC=C(S2)Br 1 1.992 2 1 0 -8.52034854188759 1245006 C1CCC(CC1)CNC(=O)C2=CC=CO2 1 2.622 1 2 -6.9339067358228 1244999 CCC1=C(SC=C1C(=O)NC2=NN=C(S2)C3CC3)C 1 2.857 3 1 -8.8238376138415 1244993 CC(C)(C)C1=CC=CC=C1NC(=O)C2=CN=CC=C2 1 2.864 2 1 -7.23361977872225 1244986 CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=C(S2)Br)C 1 2.556 2 2 -6.78211670728079 1244977 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NOC=C3 1 2.154 3 3 -8.97220648089285 1244968 CC1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)F 1 3.706 1 1 -7.87201561411977 1244964 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] 1 4.576 3 6 0 -2.27134234962254 1244950 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.703 2 4 -10.0324708659119 1244908 CC1=CC=C(C=C1)C2=CC(=NC3=NC(=NN23)N)C 1 2.73 5 0 1.58222509088717 1244902 COC1=CC(=CC(=C1OCC2=C(C=CC=C2Cl)Cl)CC=C)C=O 1 5.476 0 3 -10.1559786513573 1244882 CC(C)(C)NC1=NC(=NC(=N1)N2CCN(CC2)C3=CC=C(C=C3)OC)N4CCCCC4 1 3.39 7 1 0 -2.53921683613851 1244878 CC(C)(C)NC1=NC(=NC(=N1)NC2=C(C=C(C=C2)OC)OC)N3CCCC3 1 2.659 6 2 0 -7.88280933643736 1244759 CCNC1=C(N=C(O1)C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)Br 1 4.308 2 4 -5.74393291344642 1244758 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=C(C=C3)OC)N4CCCC4 1 4.511 2 4 -5.85348345387826 1244756 C1CN(CCC1C(=O)N)C2=C(N=C(O2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.925 3 4 0 -5.27737940729217 1244754 CN1CCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.407 3 3 -2.78004069593415 1244753 C1COCCN1CCNC2=C(N=C(O2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.923 3 4 0 -6.94306254071899 1244750 C1CCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=C(C=C4)F 1 4.909 2 3 -7.39304581345736 1244742 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3F)NC 1 3.919 2 3 -7.05542687578685 1244740 C1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3F)NCC4=CN=CC=C4 1 3.865 3 3 -10.1440594665118 1244739 CCNC1=C(N=C(O1)C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3 1 3.781 2 3 -8.54718730966864 1244725 CN1CCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CC=C4 1 4.202 3 3 -4.03254968332314 1244724 C1COCCN1CCNC2=C(N=C(O2)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CC=C4 1 3.718 3 4 0 -8.19557152810797 1244719 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CS3)NCC4=CN=CC=C4 1 4.099 3 3 -12.398480419897 1244711 CN1CCN(CC1)C2=C(N=C(O2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4 1 3.491 3 3 -8.91428684191569 1244700 CNC1=C(N=C(O1)C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3 1 3.18 2 3 -11.3676743311816 1244689 CC1CCN(CC1)C2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)C 1 4.631 2 4 -10.7590358652564 1244684 C1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 4.363 2 4 -7.15928074547768 1244681 C1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CO3)NCC4=CN=CC=C4 1 3.055 3 4 0 -11.842233584737 1244679 CN1CCN(CC1)C2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 2.933 3 4 0 -7.36463614099471 1244675 C1COCCN1CCNC2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 2.448 3 5 0 -11.5276579857795 1244674 C1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 4.206 2 4 -10.3297963246307 1244673 C1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CO3)NCC4=CC=CO4 1 3.387 2 5 0 -10.7491564525716 1244669 C1CCCN(CC1)C2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 4.349 2 4 -10.3440415370084 1244666 CCOC1=CC=C(C=C1)C2=NC(=C(O2)N3CCC(CC3)C(=O)N)S(=O)(=O)C4=CC=CC=C4 1 3.387 3 5 0 -7.38811807433487 1244661 CCOC1=CC=C(C=C1)C2=NC(=C(O2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4 1 3.6 2 5 0 -9.45927088170329 1244660 CCOC1=CC=C(C=C1)C2=NC(=C(O2)NC)S(=O)(=O)C3=CC=CC=C3 1 3.559 2 4 -7.34416685224274 1244658 C1CN(CCC1C(=O)N)C2=C(N=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br 1 3.803 3 4 0 -5.42209654507637 1244656 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3)N4CCC(CC4)C(=O)N 1 3.541 3 4 0 -5.78743549056175 1244642 CC1=CC=CC=C1C2=NC(=C(O2)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br 1 4.894 3 3 -7.54675237562222 1244629 CC1=CC=CC=C1C2=NC(=C(O2)NCCN3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.204 3 4 0 -5.77551703156336 1244628 C1COCCN1CCNC2=C(N=C(O2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=C(C=C4)F 1 3.464 3 4 0 -7.09304412442568 1244626 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3)NCCN4CCOCC4 1 3.539 3 4 0 -7.45311862398858 1244612 C1CCN(C1)C2=C(N=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 4.041 2 3 -7.10407476233372 1244607 C1COCCN1C2=C(N=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br 1 4.016 2 4 -7.49324935244479 1244597 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3)NC 1 3.713 2 3 -5.74348426846962 1244585 CC1=CC=CC=C1NS(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)N(C4=O)C 1 2.872 2 3 -6.32968507823132 1244581 CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)OC)OC)C(=O)OC 1 2.589 1 7 0 -11.7748052953966 1244574 CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=C(C=C2)O)C)C 1 4.02 1 3 1.60094719091874 1244565 C1(=C(SN=C1C(=O)O)Cl)Cl 1 2.024 1 2 -2.23620909827615 1244564 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=NN3C)[N+](=O)[O-] 1 0.543 6 4 0 -17.5511112930247 1244551 CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F 1 5.236 3 1 -4.3770518625272 1244510 CCOC1=C(C=CC(=C1)C=NNC(=O)CNC2=CC=CC(=C2)C)OC(=O)C3=CC=CC=C3 1 4.594 3 4 0 -15.0579497654152 1244474 C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)CCC4=CC=CC=C4)CC(=O)N 1 2.904 3 3 -13.5302388292804 1244464 CC1=CC=C(O1)CCC(=O)NC2=NC=C(S2)CC3=C(C(=CC=C3)Cl)Cl 1 4.395 2 2 -7.89998026692299 1244460 C1COCCN1CCNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O 1 1.642 2 4 0 -15.0920195995833 1244442 COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 3.092 2 4 -5.22012782093228 1244436 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NCC3=CC=CC=C3Cl 1 3.299 1 4 -14.9770910282856 1244432 CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O 1 3.121 1 4 -12.3178932232443 1244388 CC1=C(C(=NN1C2=NC(=O)C(=NN2)C)C)SCC(=O)NC3=CC=C(C=C3)OC 1 1.826 6 3 0 -14.1457864751904 1244387 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCNC2=CC=C(C=C2)CC3=CC=NC=C3 1 3.861 3 3 -5.72065255581178 1244386 CC1=C(C(=NN1C2=NC(=O)C(=NN2)C)C)SCC(=O)NC3=CC=C(C=C3)C(C)C 1 3.037 6 2 0 -13.4493605693946 1244384 CC1=C(C(=NN1C2=NC(=O)C(=NN2)C)C)SCC(=O)NC3=CC=C(C=C3)F 1 2.048 6 2 0 -13.020943240581 1244356 C1=CC=NC(=C1)CNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O 1 2.464 2 3 -15.0296449381834 1244355 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(S3)Br 1 2.921 1 3 -6.76784237560054 1244354 C1=CC(=CN=C1)NC(=O)C2=CC=C(S2)Br 1 1.985 2 1 0 -2.96271579791602 1244352 CC1=CC(=NO1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C 1 1.641 3 3 0 -10.4312983939057 1244346 CCCC1=CC(=C(S1)NC(=O)C2=NOC(=C2)C)C(=O)N 1 1.7 3 3 0 -13.7621938644285 1244343 CSC1=CC=CC=C1NC(=O)C2=CC=NC=C2 1 2.005 2 1 -10.4018343138721 1244334 CC1=CC(=NO1)C(=O)NCC2=CC=CC=C2Br 1 2.398 2 2 -14.2383154087114 1244333 C1=CC(=CN=C1)C(=O)NC2=C(C=C(C=C2Br)F)F 1 2.623 2 1 -3.6461018738937 1244331 COC1=C(C=C(C=C1)C(=O)NC2=CN(N=C2)CC3=C(C=CC=C3Cl)F)OC 1 3.685 3 3 -15.0849997290215 1244329 COC(=O)C1=C(SC=C1C2=CN=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.392 2 5 0 -11.0186647095828 1244328 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=NOC=C3 1 1.637 2 4 0 -11.3784627870166 1244317 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCCC3=CC=C(C=C3)F 1 3.178 1 3 -12.1564935623187 1244312 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5 1 3.151 2 5 0 -21.3461249079043 1244301 CC1=C(OC2=CC=CC=C12)C(=O)NCC3=CC=CC=C3F 1 3.908 1 2 -2.97962078751621e-002 1244298 C1CCC2=C(CC1)SC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 2.788 4 1 -5.71298385744798 1244297 CC1=C(OC2=CC=CC=C12)C(=O)N3CCCCCC3 1 3.698 1 2 3.19178868901361 1244296 C1=CC(=CC(=C1)Cl)CNC(=O)C2=CN=CC=C2 1 2.135 2 1 -6.88810786923333 1244294 CC1=C(C=CO1)C(=O)NC2=CC(=C(C=C2OC)OC)Cl 1 2.495 1 4 -6.82814439689495 1244293 CCN1CCC(CC1)NC(=O)C2=CC(=C(C=C2OC)OC)OC 1 1.448 2 4 0 -9.52225632558219 1244291 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C 1 2.228 2 4 -20.1175633640852 1244288 COC1=CC=C(C=C1)C=NNC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.236 5 2 0 -0.795930292338232 1244286 CC1=C(OC2=CC=CC=C12)C(=O)N3CCC4(CC3)OCCO4 1 2.39 1 4 0.91276837522836 1244283 C1CN(CCN1CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3Cl)F)F 1 4.181 2 1 0.344754436011686 1244282 C1=CC=C(C(=C1)CN2C=C(C(=N2)NC(=O)C3=CC=CS3)Br)F 1 4.294 3 1 -8.65630194025435 1244268 CC1=CC(=NN1C)CNC(=O)C2=CC(=C(S2)C3=CC=CC=C3)C 1 3.881 3 1 -11.6228501429813 1244259 CC1=C(C=CO1)C(=O)NC2=CC=CC(=C2)CN3C=CC=N3 1 2.097 3 2 -8.62547124183309 1244252 CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 2.785 2 4 -11.5307220882299 1244240 CC1=C(C(=NO1)C)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N 1 2.124 3 3 -16.4682460928778 1244224 CC(C)(C)C1=CC(=NO1)NC(=O)C2=CN=CC=C2 1 2.149 3 2 -11.8560650317316 1244222 CC1=C(C=CO1)C(=O)NC2=NN=C(S2)C(F)(F)F 1 1.686 3 2 0 -6.05770699817399 1244220 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)C 1 3.322 3 5 0 -9.30996592173476 1244217 CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 2.923 2 4 -16.9501386108123 1244211 C1=CC(=CC(=C1)Cl)CNC(=O)C2=NC=CN=C2 1 1.413 3 1 0 -8.53628075522761 1244206 C1=CC=NC(=C1)NC(=O)C2=C(C3=C(C=CC=C3S2)F)Cl 1 4.026 2 1 1.18582792096554 1244204 CCC1=C(C=C(S1)C(=O)N2CCN(CC2)C3=NC=CC=N3)Br 1 2.509 4 1 -3.14607957364533 1244202 CC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 3.867 1 3 -13.2617890337244 1244199 C1=CC=C(C(=C1)CNC(=O)C2=CC=CS2)F 1 2.78 1 1 -9.83844847536957 1244195 CSC1=CC=CC=C1NC(=O)C2=CC=C(S2)Br 1 3.677 1 1 -7.90844874358354 1244194 CC1=C(OC2=CC=CC=C12)C(=O)NCC3=CC=CC=C3OC 1 3.686 1 3 -1.12004249870269 1244186 CC1=CC(=C(O1)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 1.844 3 5 0 -12.2266341501491 1244181 CC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC=CS3 1 3.791 1 1 -10.9988237078626 1244180 CCOC(=O)C1=C(SC(=C1)C)NC(=O)C2CCC2 1 2.3 1 3 -1.97105577901038 1244179 CC1=CC=C(O1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.188 2 4 0 -10.4996430939955 1244178 CC1=C(C(=NO1)C)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 1.319 2 6 0 -18.3551097393354 1244173 C1=CC=C(C(=C1)CN2C=NC(=N2)NC(=O)CC#N)Cl 1 1.744 5 1 0 -13.1364117878691 1244163 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O 1 3.04 3 3 -7.550700856736 1244160 C1=CC(=CC(=C1)C(F)(F)F)C(=O)NCC2=CN=CC=C2 1 2.413 2 1 -6.39875063309322 1244137 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=C(OC=C2)C 1 2.244 2 4 -5.09824509338321 1244132 CCC1=CC(=C(S1)NC(=O)C2=CC(=CS2)Br)C(=O)OC 1 3.77 1 3 -8.20947612948567 1244124 CC1=C(N=C(S1)NC(=O)C2=NC=CN=C2)C3=CC=C(C=C3)F 1 2.037 4 1 -6.89842103129507 1244119 CC1=C(C=CO1)C(=O)NCC2=CC=CC=C2OC 1 1.854 1 3 0 -8.94899293983574 1244110 CC1=CC(=NO1)C(=O)NC2=C(SC=C2)C(=O)OC 1 1.451 2 4 0 -15.1640510795293 1244099 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CSC(=C2)C 1 2.93 1 4 -16.2814123563444 1244098 C1=COC(=C1)C(=O)NC2=C(C=C(C=C2Br)F)F 1 3.169 1 2 -0.757088665511926 1244092 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=NC=C3 1 1.706 3 2 0 -1.79470253416554 1244086 CC(=O)NC1=CC=CC(=C1)CN2C=CC=N2 1 1.183 3 1 0 -9.37612643320731 1244080 CC1=CC(=CS1)C(=O)NN2C=NN=C2 1 4.e-002 4 1 0 -8.02087625071611 1244078 C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F 1 3.432 2 2 -5.517910781754 1244077 CN1C=C(C=N1)CNC(=O)CCC2=CC=C(C=C2)OC 1 1.746 3 2 0 -12.9371668773598 1244069 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)C 1 3.208 4 4 0 -5.81569925744909 1244061 CCCC1=CC(=C(S1)NC(=O)C2=CC=CO2)C(=O)N 1 2.067 2 3 -6.12387413023162 1244060 C1CCC(C1)NC(=O)C2=CC=C(S2)Cl 1 2.852 1 1 -2.52511104147692 1244053 CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.834 4 3 0 -7.1622372984504 1244048 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC3=C(S2)CCCC3 1 3.616 2 3 -13.3952770594647 1244041 CC1=C(C(=NO1)C)C(=O)NC2=CC=CC=N2 1 0.885 3 2 0 -8.96147088502572 1244031 CCC1=NOC(=C1C(=O)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC)C 1 1.997 3 5 0 -25.8849107774374 1244006 CCC1=CC=C(S1)C(=O)NC2=NC(=C(S2)C(=O)OCC)C 1 3.155 2 3 -10.9804066165291 1244003 CC1=C(C=CO1)C(=O)NC2=C(C=CC(=C2)C(C)(C)C)OC 1 3.248 1 3 -2.7021344016035 1243996 C1=CC=NC(=C1)NC(=O)C2=CC=C(S2)Cl 1 2.415 2 1 1.40272152011225 1243990 CC1=C(C=CO1)C(=O)NC2=CC=CC=C2SC 1 2.405 1 2 -8.55438989128376 1243967 C1=CC=C(C(=C1)C2=NN=C(O2)SCC(=O)NC3=NN=CS3)Br 1 2.071 5 2 0 -16.476754989297 1243964 CN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)Br)N=C1CN4CCCCC4 1 4.268 4 1 -0.847652429803847 1243945 CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)C)OC 1 0.639 3 4 0 -8.55893164676577 1243942 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCCC3 1 2.846 4 3 0 -18.3402754358676 1243939 COC1=C(C=C(C=C1)C=NNC(=O)CC(=O)NC2=CC(=CC=C2)Cl)OC 1 2.616 3 4 0 -7.29119588251495 1243938 CSC1=CC=C(C=C1)NC(=O)NCCN2CCC3=CC=CC=C3C2 1 3.285 3 1 -7.14642785816985 1243932 CCN1C(=NN=C1SCC2=C(C=C(C=C2)Cl)Cl)CCNC(=O)C3=CC=C(C=C3)OC 1 4.961 4 2 -17.6019244288845 1243918 C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4 1 5.295 3 3 -11.639700584445 1243823 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)OC(=N2)C3=CC4=C(C=C3)OCO4)OC(=O)C 1 3.181 1 7 0 -15.5203802017971 1243801 CCOC1=CC=CC=C1NC(=O)CSC2=C(NN=C2C)C 1 2.212 3 2 -9.81610681922548 1243773 CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 3.072 2 4 1.52617575811701 1243763 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)N4C=NN=C4)Cl 1 2.2 4 3 0 -6.47468540040746 1243762 COC1=C(C=CC(=C1)/C=C(/C#N)\C2=CC=C(C=C2)F)OCC3=CC=C(O3)C(=O)O 1 4.514 1 5 -14.0636516575738 1243750 C1=CC(=CC=C1C2=NN(N=N2)CC(=O)N)C(F)(F)F 1 1.301 5 1 0 2.50652902356455 1243741 C1CCC(=NNC(=O)CNC2=C(C=C(C=C2Br)Br)Br)CC1 1 4.314 3 1 -6.58576773830881 1243722 C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=N3)C(=O)NCC4=CC=CO4 1 3.09 3 2 -4.07150043921812 1243721 CCOC(=O)CSC1=NN=C(N1C)CN2N=C(N=N2)C3=CC=CC=C3 1 1.991 7 2 0 -13.2351815904704 1243718 CCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NS(=O)(=O)C4=CC=CC=C4 1 3.926 4 2 -4.46761773502829 1243716 COC1=CC=CC(=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.552 3 5 0 -12.8329167797738 1243706 COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.473 2 4 -10.4497061599147 1243703 CN(C1=CC=C(C=C1)C(=O)NC2CCCC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 3.117 2 4 -12.7668924721451 1243695 COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCCCC3 1 2.929 2 3 -9.13670095019807 1243679 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CC3=CC=C(C=C3)Cl 1 3.403 3 4 0 -23.4174855541221 1243678 C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC=CC=C4 1 3.972 4 1 -1.83571787644661 1243673 CN1C2=C(C=C(C=C2)/C=C(/C#N)\C3=CC=C(C=C3)F)N(C1=O)C 1 3.135 3 1 -12.3108745039503 1243642 CC1=CSC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC=C(C=C3)OC 1 2.923 3 3 -15.2464093327233 1243639 COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=CO3 1 2.571 2 4 -12.7161794430537 1243637 CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC3=NOC(=C3)C 1 2.061 6 2 0 -31.9274649784793 1243622 CC1=NN2C(=NN=C2C3=CC=CC=C13)CN(C4=CC=CC=C4)C(=O)CN5CCOCC5 1 1.84 6 2 0 -11.3209080067495 1243615 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CCCCC2)C3=CC=C(C=C3)F 1 3.63 2 4 -15.1255323000708 1243523 C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)F)Cl 1 3.156 6 2 0 -18.5532098598421 1243607 CN1N=C(N=N1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)F 1 1.218 9 1 0 -20.0241604841343 1243598 C1=CC=C2C=C3C(=CC2=C1)NC(=N3)SCC(=O)NC4=CC=C(C=C4)F 1 4.179 3 1 -4.35159268380824 1243597 C1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC3=CC=CC(=C3)C(F)(F)F)CCC(=O)O 1 4.508 2 3 -5.44982267364528 1243594 C1=CC=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)Cl 1 4.701 1 5 -14.9875227858162 1243581 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 1.4 3 4 0 -14.9776871309527 1243533 CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2C3=CC=CC=C3N=N2 1 4.275 3 3 -6.46817606604257 1243565 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 2.48 3 2 -5.88039719301183 1243561 CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2C=NC3=CC=CC=C32 1 4.185 2 3 -5.04844610436604 1243559 CCOC1=C(C=C(C=C1)C(=O)N2CCCC2)OC 1 2.021 1 3 -10.6291852129832 1243558 C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 5.423 2 1 3.45862032653324 1243556 CN(CC(=O)NCC1=CN=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 1.087 3 4 0 -19.2017516983753 1243495 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CNC(=O)C2=CC=C(C=C2)F 1 2.822 2 2 -11.1106404851224 1243461 CC1=CC(=C2C(=C1)OC=C2CC(=O)NCC3=CC=CO3)C 1 3.114 1 3 -11.3198069299664 1243441 C1=COC(=C1)/C=C/2\C(=O)N=C(S2)N 1 1.392 2 2 0 -1.74102708834288 1243429 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4S3 1 3.408 2 3 -14.0627668258943 1243401 C1CN(CCN1CCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=CC=C4 1 3.821 4 1 -3.5521904914898 1243399 CC1=NN2C(=NN=C2C3=CC=CO3)C4=CC=CC=C14 1 2.364 4 1 -1.32966386206226 1243367 C1COCCN1C2=NC(=NC(=N2)NC3=CC(=C(C=C3)Cl)C(=O)O)N4CCOCC4 1 1.175 6 4 0 -5.31007356105184 1243342 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CN=CC=C3 1 1.794 3 4 0 -13.126024620926 1243341 CC1=C(C=CC(=C1)S(=O)(=O)NCC(C)C)OCC(=O)NCC2=CC=CO2 1 2.227 2 5 0 -17.3127996374983 1243336 COC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2=CC=CO2 1 1.036 2 5 0 -13.1603310285448 1243335 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCCC2=CCCCC2 1 2.276 2 3 -13.5993035864657 1243333 C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=CS3 1 3.499 1 2 -3.69392101021121 1243323 C1=CC=C(C=C1)CNC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3 1 3.868 1 2 -8.38736049424748 1243317 CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC4=C(C=C3)OCCO4 1 3.11 3 4 0 -10.650913979291 1243316 CC1=C(C=CC(=C1)S(=O)(=O)NCC(C)C)OCC(=O)NCC2=CC=CC=N2 1 2.11 3 4 0 -17.3640665564035 1243312 CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.739 4 5 0 -5.72020091530074 1243311 COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OC 1 2.351 2 3 0.185070329859003 1243303 CC(=O)C1=CC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 1.971 2 5 0 -15.5710584661944 1243300 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 3.644 2 3 -8.81339573670351 1243288 CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CCCC2)C3=CC=C(C=C3)F 1 3.523 2 4 -15.5372869376107 1243282 C1=CC=C2C(=C1)C=CC(=N2)C3=NNC(=S)N3C4=CC(=C(C=C4)F)Cl 1 5.163 4 0 -0.512836715782161 1243273 COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)F)OC 1 1.847 2 4 0 -14.9413515021012 1243269 CCN(CC(=O)N1CCOCC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.157 2 4 0 -16.5593366515661 1243261 CC(C)NS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCC2)Cl 1 1.842 2 4 0 -18.0404117627755 1243260 COC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4 1 3.589 6 2 0 -8.93899783612056 1243259 C1=CC2=NN=C(N2C=C1)C3=CC=CS3 1 2.199 3 0 -4.38887143400185 1243255 C1=CC=C(C(=C1)C(=O)NC(=S)NCC2=CC=CO2)[N+](=O)[O-] 1 2.571 3 4 0 -14.8699856497757 1243254 CSC1=NN=NN1C2=CC=C(C=C2)Cl 1 2.464 4 0 -7.27889415553607 1243243 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)NC2CCCCC2 1 2.442 3 3 -17.5527063041686 1243228 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CS2 1 2.074 3 3 -15.5648090096343 1243220 CCN1C(=NN=C1SCC(=O)N2CCOCC2)CN3N=C(N=N3)C4=CC=CC=C4 1 1.237 8 2 0 -15.7970161074194 1243212 CC1=CC=C(O1)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 4.895 5 2 0 -8.7721933025651 1243177 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC 1 3.011 1 3 -12.333132228314 1243162 CN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.64 2 2 -9.78554476350624 1243155 CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NCC1=CC2=C(C=C1)OCO2 1 3.493 2 3 -9.4973985449547 1243134 COC(=O)C1=CC=CC=C1NC(=O)CN2C(=C(C=NC2=O)F)SC 1 1.523 3 4 0 -11.6964331588588 1243119 C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=CC=C3Br 1 4.433 3 0 -1.32244828537014 1243118 CC(C)C(=O)C1=CC2=C(C=C1NC(=O)C3=CC=CS3)OCCO2 1 3.223 1 4 -10.8466051138671 1243089 CSC1=CC=CC=C1C(=O)NCC2=CN=CC=C2 1 2.012 2 1 -15.2780951850313 1243076 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C 1 3.969 3 5 0 -10.6950550949018 1243057 COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)O)Cl 1 2.981 1 5 -16.1003277312124 1243052 CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)SC 1 3.063 1 4 -4.18819299930041 1243050 CC1=CC=C(C=C1)NC(=O)C2=C(C3=C(O2)CC(CC3=O)(C)C)C 1 3.831 1 3 -9.508619434355 1243047 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3CCCCC3 1 4.167 2 2 -9.53634011556435 1243039 CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 4.082 2 1 -10.2916255124096 1243032 COC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)CN3CCCCC3)OC 1 3.572 2 3 -4.96405538994259 1243010 C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 6.153 4 4 0 -5.01612770019394 1243008 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC(C)(C(F)(F)F)C(F)(F)F 1 2.821 4 4 0 -18.7452715409582 1242993 COC1=CC=C(C=C1)C(=O)NC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC 1 2.224 3 5 0 -10.6360220527493 1242987 C1CCN(C1)C2=C(C=CC=C2Cl)NC(=O)C3=CC=C(O3)Br 1 3.865 2 2 -4.61308472220167 1242984 CCOC(=O)C1=CN=C2N=C(NN2C1=O)NCC3=CC=C(C=C3)OCC4=CC=CC=C4 1 1.959 5 4 0 -8.49195954994108 1242955 C1NC(=NCN1CC2=CC3=C(C=C2)OCO3)NC4=NC5=CC=CC=C5S4 1 3.105 5 2 0 -1.1310086056498 1242943 CC1=C(C(=O)N2C(=N1)N=C(N2)C3=CN=CC=C3)CC4=CC=CC=C4 1 1.61 5 1 0 -7.04544497909816 1242878 CC(C)C(=O)NC1=NC=C(S1)CC2=CC(=CC=C2)Cl 1 3.586 2 1 -7.23213291275715 1242876 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)OC 1 1.649 6 3 0 -13.6602723396742 1242868 CCOC1=C(C=CC(=C1)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C)F 1 2.018 2 3 -13.9534481545753 1242854 CC1=CC=CC=C1C(=O)NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4 1 3.213 6 2 0 -17.1242422281038 1242853 C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)N4CCN(CC4=N3)C5CCCCC5 1 4.469 5 1 -6.87546308488315 1242828 CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NNC(=N3)N 1 2.142 5 1 -0.961913011971579 1242827 CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)C3=CC=CO3 1 3.636 3 2 -13.7192595815012 1242821 CC1(CC2=C3C4=C(C(=NN=N4)NCC5=CC=CC=C5)SC3=NC(=C2CS1)N6CCOCC6)C 1 3.988 6 1 0 -12.5026088458167 1242818 C1=CC=C2C(=C1)N=C(S2)S/C(=C/C3=CC=CO3)/C#N 1 4.02 2 1 -2.0785331163387 1242806 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 3.833 4 4 0 1.36767211541921 1242767 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N 1 5 2 5 0 -6.6260209940449 1242771 CN(C)C(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3 1 2.627 1 4 -2.55921609122749 1242794 CCOC1=CC=CC=C1C(=S)N2CCCC2 1 3.461 1 1 -4.78077665282239 1242793 CC(C)(C)C1=CC=C(C=C1)C(=O)NN2C(=CC=C2C3=CC=CS3)CCC(=O)O 1 5.117 2 3 -7.64832017530859 1242785 CC1=C(C(=NC2=NC(=NN12)NCC3=CC(=CC=C3)OC)C)Cl 1 2.894 5 1 -2.44453943067552 1242782 C1COCCN1CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CC=C(C=C4)F)Cl 1 4.079 2 3 -1.99389308967223 1242754 C1=CC(=CC=C1C2=NC3=NC(=NN3C(=C2)C(F)(F)F)N)F 1 3.538 5 0 -1.08297356079046 1242753 CCOC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2C3(CC3)C 1 5.728 2 1 -6.31566490992161 1242747 C1CCC2(C1)CC3=CC=CC=C3C4=C2C5=NC(=NN5C=N4)COC6=CC=CC=C6 1 4.999 4 1 -5.92393542202874 1242728 CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3)C)C 1 3.651 2 3 -8.71400657991536 1242719 CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CO3 1 2.915 2 4 -16.1865883171971 1242717 CC1=CC=C(C=C1)N(CC2=CC=CO2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 3.189 2 4 -13.5170677795751 1242715 CC1=CC(=O)OC2=C1C=C(C=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.582 1 7 0 -26.2824305557939 1242706 C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=C(S3)SCC4=CC=CC5=CC=CC=C54 1 5.445 2 3 -10.2747999502687 1242705 COC1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=CC=CC=C4Cl 1 5.008 5 1 2.17152963860318 1242696 CC1(CC(=O)C2=C(C=C(C=C2O1)OCC3=CC=C(C=C3)Br)O)C 1 4.143 0 4 -3.80857980210612 1242695 CC1(CC(=O)C2=C(C=C(C=C2O1)OCC3=CC=C(C=C3)C(=O)OC)O)C 1 3.25 0 6 -8.09527880593479 1242684 CC(C)(C)C(=O)COC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OC 1 4.428 0 5 -12.3638176824567 1242674 CCOC(=O)C1=CC=C(O1)CNC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 2.312 1 7 0 -16.1137757146844 1242643 CC1=C(C=C2C3=C(CCCC3)C(=O)OC2=C1)OC(=O)C4=CC=CO4 1 4.646 0 5 -10.3621142623396 1242620 CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CC=C3)CC(=O)OC 1 3.628 0 6 -15.7804614903993 1242618 CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CO3)CC(=O)OC 1 3.023 0 7 0 -13.6528915585027 1242616 CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3=CC=CO3)CC(=O)OC 1 3.688 0 7 0 -11.2315434996612 1242612 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O 1 2.481 1 5 -17.7555156474064 1242611 C1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.246 1 4 -16.9772104927768 1242607 C1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.162 1 4 -15.5205507476754 1242591 CCN(CC1=CC=CC=C1)S(=O)(=O)C2=NN3C(=C(C(=NC3=N2)C)C)C 1 2.862 5 2 0 -8.32300281339888 1242574 COC1=CC=C(C=C1)N(C(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC=CS3 1 2.591 2 4 -8.44998457238976 1242573 COC1=CC=C(C=C1)N(C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=CS3 1 2.591 2 4 -9.29577195273835 1242568 CC(C)C(=O)N(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)Cl 1 4.085 1 4 -0.953124983933555 1242567 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C3=CC=C(C=C3)OC)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])N(C1=O)C 1 3.124 4 7 0 -18.0135131621906 1242566 COC1=CC=C(C=C1)N(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3 1 3.636 2 6 0 -10.7164099164787 1242558 CC(=O)N(C1=CC=C(C=C1)OC)S(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 2.258 1 6 0 -5.79043682508196 1242553 CC(C)C(=O)N(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C 1 2.695 3 5 0 -12.2360317664224 1242548 COC1=CC=C(C=C1)N(C(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.805 2 4 -7.139745687739 1242547 COC1=CC=C(C=C1)N(C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.805 2 4 -7.98553306808759 1242537 CC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)NCCC(=O)O 1 1.865 1 4 0 -8.06496364017512 1242473 CCOC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC(=CC=C3)Cl)C#N 1 4.631 3 2 4.64494235477855 1242527 CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C 1 2.062 3 4 0 -11.4262529655958 1242526 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)N(C1=O)C 1 1.592 3 3 0 -9.17672027171243 1242521 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=S)O3)Cl 1 3.863 2 3 -5.42295916663983 1242503 CCOC1=CC=C(C=C1)NC2=C(N=C(O2)CC3=CC=CC=C3)C#N 1 4.001 3 2 -6.5056190940249 1242501 C1CN(CCC1CC2=CC=CC=C2)C3=C(N=C(O3)CC4=CC=CC=C4)C#N 1 4.938 3 1 -3.04200717180267 1242497 C1=CC=C(C=C1)CCNC2=C(N=C(O2)CC3=CC=CC=C3)C#N 1 3.832 3 1 -7.2195449785247 1242454 CC1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC(=C(C=C3)OC)OC)C#N 1 3.929 3 3 -3.38771146252783 1242440 CCOC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=CO3)C#N 1 3.362 3 3 -2.19555113485041 1242435 CC1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=CO3)C#N 1 3.357 3 2 -2.85594072945402 1242402 CCOC1=CC=C(C=C1)C(=O)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3 1 5.947 2 2 -11.5914707867028 1242399 COC1=CC(=CC(=C1)C(=O)NC(=S)NCC2=CC=CO2)OC 1 2.644 2 4 -14.0328234817456 1242397 COC1=CC(=CC(=C1)C(=O)NC(=S)NCCC2=CC=CC=C2)OC 1 3.783 2 3 -13.2302912796641 1242396 COC1=CC(=CC(=C1)C(=O)NC(=S)N2CCCCCC2)OC 1 3.788 2 3 -14.8573477745649 1242321 C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC4=CC=C(C=C4)C(=O)O 1 4.796 4 2 -8.61216258735891 1242318 C1=CC(=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4)C(=O)O 1 4.796 4 2 -7.149704562445 1242300 C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=NC=C5 1 4.791 6 0 -2.76085961287222 1242298 C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4 1 3.764 5 3 0 -9.83985924490236 1242291 C1=CC=C(C(=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4)F 1 3.09 5 1 -11.8443282940348 1242287 CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CS4 1 3.925 5 2 0 -18.0201228527196 1242286 C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4 1 3.279 4 2 -9.45513957202185 1242271 CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N3)CC5=CC=CO5)C 1 4.712 4 2 -20.0725552881372 1242263 CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2N)C3CCCCC3 1 1.913 6 3 0 -19.6044812853245 1242260 C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=CC4=C(C=C3)OCO4 1 2.577 5 3 0 -16.4174781303694 1242245 C1=CC=NC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Br 1 3.32 5 0 -6.86613068740537 1242241 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=CC=N4 1 1.41 6 3 0 -17.0988310837999 1242229 COC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3 1 2.986 6 1 0 -5.27928462244706 1242173 CC(=O)C1=CC(=CC=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C 1 1.198 3 5 0 -23.1170534287127 1242214 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3N)C4=CN=CC=C4 1 0.982 6 3 0 -17.923577586789 1242208 C1=CC(=CC=C1CSC2=NN=C(N2N)C3=CC=NC=C3)Br 1 2.891 5 0 -6.22841916548064 1242202 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=NC=C4 1 0.964 6 3 0 -15.0158184083067 1242183 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2OC 1 2.105 3 4 0 -16.4317370024807 1242166 CN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3 2 3 -7.31309206721564 1242154 CC1=C(SC(=N1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Cl)C(=O)C 1 3.63 2 4 -9.16943545416663 1242129 COC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=CC=C2F 1 2.517 1 4 -10.7797517646976 1242126 CN(C1=CC=C(C=C1)C(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.141 3 4 0 -11.3484392995161 1242102 CC1=CC=C(C=C1)C(=O)NCCC2=CC=NC=C2 1 2.278 2 1 -6.72938432620134 1242082 CCOC1=CC=C(C=C1)N(CC2=CC3=C(C=C(C=C3)C)NC2=O)S(=O)(=O)C 1 2.731 2 4 -10.8949072329663 1242069 CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CO2)OC 1 3.394 3 4 0 -20.9829814168462 1242044 CC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4CCCCC4 1 2.282 5 2 0 0.591301373294909 1242037 CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 2.537 5 2 0 -9.34478068757883 1242036 C1CN(CCN1CCNC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3Cl 1 3.29 4 1 -4.22101690090062 1242030 C/C=C/C1=CC(=C(C=C1)OC2=NN=NN2C3=CC=C(C=C3)C(=O)O)OC 1 3.386 4 4 0 -11.0957136166419 1242027 CC1=CC(=CC=C1)CNC(=O)C2=CC=CC=C2N 1 2.361 2 1 -6.41527111978617 1242023 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 1.945 3 4 0 -15.4121210422141 1242022 CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N)C)C 1 2.778 2 3 -7.93045380275703 1242020 CCOC1=C(C(=C(C=C1)S(=O)(=O)N2CCN=C2C3=CC=CC=C3)C)C 1 3.779 2 3 -5.64960886965092 1242019 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.029 2 4 -9.52925228045899 1242012 C1CCC(=CC1)CCNS(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)NC4=O 1 2.931 2 3 -18.2530705743294 1242007 CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)C 1 1.894 1 7 0 -7.82574114689816 1242001 C1=CC(=C(C=C1NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)O)C(=O)O 1 3.034 1 5 0.227944485759644 1242000 COC1=C(C2=C(C=C1)C=C(C=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)N4CCCCC4 1 2.79 2 5 0 -13.1589024090925 1241980 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2CCCC2)S(=O)(=O)C 1 1.286 3 6 0 -17.8852854867971 1241971 CCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CS3 1 4.035 1 1 -6.54776657278268 1241962 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3 1 2.267 5 3 0 -10.3333994769543 1241961 COC1=CC(=CC(=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-])OC 1 3.41 3 6 0 -6.51772580613021 1241929 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 1.493 2 5 0 -10.5221114284525 1241915 C1CC2=CC=CC=C2N(C1)C(=O)CN3C=C(C4=CC=CC=C43)C(=O)C5=CC=CO5 1 4.501 2 3 -12.6756870810411 1241872 COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)N 1 3.486 4 2 -4.56343538187537 1241853 C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CO4 1 0.404 3 5 0 -9.76033311237997 1241849 CC1=C2C(=CC=C1)SC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 2.61 3 3 -5.38829505306464 1241813 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 -0.558 6 5 0 -22.9921056183872 1241807 C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CO4 1 1.288 2 5 0 -6.32305529007542 1241757 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 2.552 2 4 -14.2982623750285 1241689 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=C(C=CC=C3Cl)F 1 2.324 2 4 -23.160703133872 1241682 C1=CC(=C(C(=C1)Cl)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F 1 2.224 2 3 -12.5340001273839 1241672 C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)CC3=C(C=CC=C3Cl)F 1 4.697 2 1 -7.73458762194094 1241670 COC(=O)CNC(=O)CC1=C(C=CC=C1Cl)F 1 1.649 1 3 0 -15.2918529345282 1241668 C1=CC(=C(C(=C1)Cl)CC(=O)NC2=NC=CS2)F 1 2.516 2 1 -8.75814007043721 1241660 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.81 3 4 0 -18.3507611811841 1241658 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)OCC 1 3.082 2 4 -14.281914209186 1241642 CC1=C(NC2=C1C=C(C=C2)C3=NNC(=S)N3C4=CC=C(C=C4)Br)C 1 5.352 4 0 0.364095499547706 1241620 CC1=NN2C(=NC1=O)NNC2=S 1 0.149 5 1 0 -6.05198395349227 1241599 C1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)F)Cl 1 3.596 1 1 -0.695035900652911 1241561 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)Br 1 3.332 3 2 -15.6294686321164 1241530 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=C(C=C4)OC 1 2.876 5 4 0 -5.33807040433168 1241524 CC1=CC(=CN=C1NC(=S)NC2=C(C=C(C=C2)F)F)Br 1 4.928 3 0 -1.30020157187875 1241449 COC1=CC(=C(C=C1)Br)C(=O)NC2=C(C(=CC=C2)Cl)Cl 1 4.675 1 2 -3.34089414675384 1241438 COC1=CC=CC=C1N2CCN(CC2)CC3=C(C=C(C=C3)Cl)Cl 1 4.845 2 1 6.55155280747495 1241395 COC1=CC=C(C=C1)N=C2N(C(=O)CS2)C3=CC=C(C=C3)OC 1 3.632 2 3 -4.31598188679644 1241326 C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=CC=CC=C4 1 3.427 3 2 -10.0590961518708 1241283 C1CCC(CC1)C(=O)NC2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.902 2 3 -14.234646129609 1241232 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC=CC=C3 1 3.129 2 4 -10.1800720051831 1241231 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C(C)(C)C 1 3.011 2 4 -15.2989117938076 1241229 CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC=C(C=C3)C 1 3.615 2 4 -9.38442443767371 1241228 CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=NC=C4 1 2.174 5 1 -15.1899246903796 1241214 CC1=CC(=NC2=C1C3=C(S2)C(=NC=N3)N4CCN(CC4)C5=CC=CC=C5)C 1 4.069 5 0 1.29161834564692 1241202 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NNC(=O)C4=CC=NC=C4 1 3.659 5 1 1.41764422634458 1241200 CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=S)NC3=CC=CC=C3 1 4.583 3 2 -15.0663284784883 1241196 CN1C2=C(N=C1OC3=CC=CC=C3Br)N(C(=O)N(C2=O)C)C 1 2.75 4 3 0 -7.32661325286974 1241189 C1CN(CCN1C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)Cl 1 4.61 3 0 8.63246945846847 1241181 CC1=NC2=C(C(=N1)N3CCN(CC3)C)SC(=S)N2C4=CC=CC=C4 1 3.971 5 0 -3.01956630019194 1241177 C1=CC=C(C(=C1)CON2C3=CC=CC=C3N=N2)CON4C5=CC=CC=C5N=N4 1 -0.149 6 2 0 8.11039387178403e-002 1241138 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.456 2 4 -14.183970979125 1241125 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.011 3 3 -9.34556347227048 1241123 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.676 4 4 0 -15.3308851842058 1241119 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4 1 4.812 2 2 6.48475198994961 1241104 CC1=NN(C(=O)CC1)CCC2=CC=CC=N2 1 0.477 3 1 0 -9.23403942121908 1241089 CC(C)(C)NC(=O)C1=CC2=NSN=C2C=C1 1 2.097 3 1 -7.33244526598451 1241062 CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.947 3 3 -2.57517860776241 1241061 COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4N3 1 4.301 5 1 -9.26520323118613 1241056 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4C(=O)O 1 -0.852 2 5 0 -5.72897093533059 1240988 COC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=C4O 1 2.965 2 5 0 -10.1166583055485 1240859 CN1C(=O)C(=C(C(=O)N1)Cl)Cl 1 -6.6e-002 2 2 0 -5.77760304192816e-002 1240719 C1=CC=C(C=C1)C2=C3C(=CC4=CC=CC=C42)C(=O)N(C3=O)C5=CC=CC=N5 1 4.254 2 2 -1.7604210093267 1240718 CCC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)O2 1 2.928 2 3 -9.04345364215039 1240639 COC1=CC=CC=C1C(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3 1 3.516 3 5 0 -2.82475359313082 1240617 C1CC2=CC=CC=C2N(C1)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.88 1 1 -11.6493988699487 1240549 CN1C=NC2=C1C3=CC=CC=C3SC2=O 1 2.321 2 1 -1.20874773436663 1240545 C1=CC=C2C(=C1)N=C(S2)SC3=CC=C(O3)C=NNC(=O)CC#N 1 3.342 4 2 -11.3916794525264 1240480 C1=CC=C(C(=C1)COC2=CC=CC=C2C=NNC(=O)C3=CN=CC=C3)Cl 1 3.764 3 2 -5.52036377377983 1240594 C1COCCN1CC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-] 1 1.164 4 4 0 -7.99555931097433 1240590 CC(C)(C)C1=CC(=CC(=C1)C2=NC(=NC(=N2)N)N)C(C)(C)C 1 3.915 5 0 4.17843647632158 1240575 CC1=C(C=C(C(=C1)C2=CC=C(O2)C=NN3C=NN=C3)[N+](=O)[O-])C 1 3.116 5 3 0 1.73942625884899 1240569 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NCC3=CC=CC=N3 1 3.561 3 2 -17.1541272500668 1240492 C1=CC2=NC(=C(N2C=C1)N)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.204 4 2 -2.16186885984814 1240497 COC1=C(C=C(C=C1)Cl)NC(=O)N2CCN(CC2)CCC3=CC=CC=C3 1 3.662 3 2 -1.10463463731968 1240499 CC1=CC(=C(C=C1)OCC(=O)NN=C(C)C2=CC(=CS2)[N+](=O)[O-])Br 1 3.581 3 4 0 -6.7646821006235 1240525 C1COCCN1C2=NC(=NC(=N2)OC3=CC=CC=C3)OC4=CC=CC=C4 1 3.858 4 3 0 -1.22402549108217 1240424 C1CCN(CC1)C2=CC=C(O2)C=NNC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.176 4 4 0 -6.31267873963099 1240423 C1=CC=C2C(=C1)N=C(S2)SCC(=O)CSC3=NC4=CC=CC=C4S3 1 5.262 2 1 -4.71043431790091 1240421 C1COCCN1C2=CC=C(O2)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.947 4 5 0 -7.55028674928441 1240391 C1CC1C(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CC=C4)N 1 4.672 2 1 -1.04943739077449 1240371 C1=C(C2=C(N=C1C(F)(F)F)SC3=C2N=C(N=C3N)N)C(F)(F)F 1 3.469 5 0 0.33315989179044 1240362 C1COCCN1C2=CC=C(O2)C=NNC(=O)C3=CC(=CC=C3)F 1 2.258 3 3 -3.29548845956042 1240361 CC1=CC=CC=C1OCC(=O)NN=CC2=CC=C(O2)N3CCOCC3 1 2.374 3 4 0 -4.2903291000159 1240319 CCC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(N(C4=CC=CC=C4C3=O)C)O 1 2.671 4 4 0 -5.81727966814826 1240313 CCOC1=CC=CC=C1N2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC 1 3.816 2 4 1.29401211403745 1240305 C1CN(CCN1CC2=COC3=CC=CC=C3C2=O)C4=CC=CC=N4 1 2.439 3 2 1.22506863957246 1240303 COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C3=NC=CC=N3 1 2.387 4 1 4.33564015269381 1240297 COC1=C(C=C(C(=C1)CN2CCN(CC2)C3=CC=CC=C3F)[N+](=O)[O-])OC 1 3.6 3 4 0 1.33059170425465 1240247 CCC(=NNC(=O)C1=CC(=CC=C1)Br)CC2=CC=CC=C2 1 4.104 2 1 -6.41915330755951 1240200 C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)OCC3=C(C=C(C=C3)Cl)Cl 1 5.424 1 4 -6.20972362174004 1240168 CC(C)CC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CC(C)C 1 4.38 2 3 -6.39499082940166 1240161 CC1=C(C=C(O1)C(=O)OC)COC2=C(C=C(C=C2OC)C(=O)OC)OC 1 2.615 0 8 0 -8.85772490922208 1240159 COC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)C3=CN=CC=C3 1 2.424 3 2 -3.08397688434361 1240113 CC1=CC(=CC=C1)CSC2=CC=CC3=C2N=CC=C3 1 4.627 1 0 -3.59960221846249 1240104 CC(C)(C)C1=CC(=NN1C2=CC=CC=C2)C(C)(C)C 1 5.577 2 0 -0.231031837299476 1240080 C1=CC=NC(=C1)C=NC2=CC=C(C=C2)Br 1 3.452 2 0 7.59533595561683 1240077 C1CCN(CC1)CC2=C(NC(=S)NC2=O)O 1 1.472 3 2 0 -4.80779653670536 1240018 COC1=CC=CC(=C1)C=NNC(=O)CSC2=CC=CC3=C2N=CC=C3 1 3.246 3 2 -9.23650798174233 1240016 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Cl 1 1.713 2 6 0 -22.7075376705455 1240012 C1=CC=C(C=C1)NC(=O)C2=CN(C=N2)CCBr 1 1.946 3 1 0 -3.43227906868439 1239991 COC1=C(C=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl)OC 1 2.579 1 6 0 -7.54120563293267 1239988 CC1=CC=C(C=C1)SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 3.317 1 5 -13.5991244252985 1239984 COC1=C(C=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)F)OC 1 2.12 1 6 0 -8.65132729805423 1239934 C1=CC=C(C=C1)C2=NN(C(=C2)N=CC3=CC=CC=C3Cl)C4=CC=CC=C4 1 6.388 3 0 9.90986786407539 1239901 C1CC2=CC=C3C4=C(C=CC1=C24)C(=O)N(C3=O)NC(=O)C5=CC=C(C=C5)Br 1 3.953 2 3 -5.30755257166836 1239853 CC1=CC=CC2=C(C(=CN=C12)C3=CC=CC=C3)C 1 4.507 1 0 4.35275987498763 1239779 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=C(C=C4)C 1 4.27 2 5 0 -9.68033529934796 1239703 CCC1=NN=C(S1)NC(=O)CSC2=NC3=C(CCCC3)C=C2C#N 1 3.197 5 1 -25.7407709853513 1239651 C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=O)NC3=CN=CC=C3)Br 1 3.779 2 2 -4.62077799896676 1239473 CC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)C3=CC=CC=C3 1 4.557 1 1 -5.25718433421141 1239374 COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 1 5.15 2 3 3.83892014161366 1239358 CC(=O)C1=CC(=CC=C1)NS(=O)(=O)N(C)C 1 7.2e-002 2 3 0 -4.68074005102673 1239284 C1CN(CCN1C(=O)CSC2=NC=CC=N2)C(=O)CSC3=NC=CC=N3 1 0.396 6 2 0 -9.01674035286703 1239269 CC1=C(C=C(C=C1)N2C(=O)CSC2=N)Cl 1 3.033 2 1 -5.53270613057747 1239232 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 2.537 3 4 0 -16.7312398999416 1239154 CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)F 1 3.567 2 2 -1.84509335039581 1239105 C1=CC(=CC=C1CSCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O)Cl 1 4.057 1 3 -9.58278864869739 1239093 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C 1 5.299 2 2 6.73434693697587 1239076 CCC1=CC2=C(S1)SC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.379 2 1 -1.53914966674963 1239009 COC1=C(C=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C3=CC=CC=C3)Cl 1 2.125 2 5 0 -17.7707655436026 1238935 CCC1(CC2=CC=CC=C2C(=C3C(=O)CC(CC3=O)(C)C)N1)CC 1 3.622 1 2 -10.6655050980639 1238913 CN1C2=C(N=C1SCC(=O)N3CCOCC3)N(C(=O)N(C2=O)C)C 1 -6.3e-002 5 4 0 -21.7808848015186 1238883 C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC(=CC=C3)F 1 1.578 2 4 0 -14.2364353066969 1238869 COC1=C(C=C(C(=C1)CC(=O)NCCC2=CC=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-])OC 1 4.406 2 6 0 -14.444531882339 1238848 CN(C(=O)N)N=C(C1=CC=CC=C1)SC 1 1.669 3 1 0 -1.92838672704542 1238844 CC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC=CC=C3 1 4.369 3 0 -8.04566872580144 1238812 C1=CC=C(C=C1)C2=C(C=C(C=C2)CO)C3=CC=CC=C3 1 4.262 0 1 2.8382442760983 1238787 CC1=CC2=C(C=C1)SC(=C2C(=O)OC)C(=O)OC 1 3.18 0 4 -2.35031229393162 1238746 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(=O)O 1 3.012 2 5 0 -21.3365482975923 1238729 CC1CCN(CC1)C2=NC3=NON=C3N=C2NC4=CC=CC=C4OC 1 2.175 6 2 0 -15.9001823177406 1238653 COC1=CC(=CC(=C1OC)OC)C(=O)NN=CC2=CC(=CS2)[N+](=O)[O-] 1 2.482 3 6 0 -8.16739369975256 1238616 CN1C(=O)C=C(N1)C(F)(F)F 1 9.4e-002 2 1 0 6.74211082818066e-003 1238599 COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=NCC3=CC=CC=C3)S2)CC4=CC=CC=C4)O 1 5.317 2 3 -3.71672122384208 1238431 C1CCN(C1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C=C(C=C4)Cl)Cl 1 2.948 9 2 0 -20.1748493903041 1238373 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC3=NSN=C3C=C2 1 2.637 4 3 0 -3.46684381261002 1238358 CSC1=C(C(=NS1)SC)C(=O)OCC(F)(F)F 1 3.452 1 2 -7.83075454593543 1238357 CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=NC3=CC=CC=C3S2)C 1 4.156 4 1 -10.9124605181337 1238300 C1=C(C=C(C(=C1Br)O)Br)/C=C\2/C(=O)N=C(S2)N 1 3.251 2 2 1.26447991563083 1238254 CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CNC(=O)NC4=O 1 0.572 4 5 0 -18.8987224671558 1238236 COC1=C(C=C2C(=C1)C(=O)OC(=N2)CN3C(=O)C4=CC=CC=C4C3=O)OC 1 1.992 2 6 0 -5.8324841653888 1238192 C1CC(=O)N(C1=O)CC(=O)NNC2=CC3=CC=CC=C3C=C2 1 0.98 3 3 0 -7.04656239300958 1238173 C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br 1 4.535 1 3 -10.0189678744195 1238114 C1=CC=NC(=C1)CNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.048 3 3 -9.63849665426869 1238109 CC1=CC=C(O1)C=NNC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)O 1 2.841 2 3 -5.50450407383094 1238080 CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O 1 2.54 2 6 0 -16.792037983646 1238057 C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCC(=O)O 1 0.35 3 4 0 -10.5325055667444 1238007 CC1=NC2=CC=CC=C2N1CSC3=CC=CC=C3 1 3.984 2 0 1.7747708198123 1237990 CC(=O)C(=CC1=CC(=C(C=C1)OC)OC)C(=O)C 1 1.685 0 4 0 -2.88992479143992 1237987 CC1=CC(=NC(=N1)SC2=NC(=NC(=N2)N(C3=CC=CC=C3)C4=CC=CC=C4)Cl)C 1 5.964 6 0 -1.39141239547938 1237953 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)OC(=O)C3=CC=CC=C3 1 3.297 3 4 0 -14.3670975942678 1237939 CC1=C(C=C(C=C1)OCC(=O)NN=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C 1 5.574 3 2 -6.01374337641355 1237929 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)Cl 1 4.947 2 1 -0.218661728198718 1237925 CCOC(=O)NN=CC1=CC=CC=C1OCC2=CC=C(C=C2)Cl 1 4.242 2 3 -2.59000137328533 1237860 CC1=CC=CC(=C1)C(=O)NC(CC=C)(CC=C)C2=CC=CC=C2 1 4.868 1 1 -10.5085233929995 1237743 CCOC1=CC=C(C=C1)CC2=NC(=O)C(=C(N2)C)CC(=O)N3CCOCC3 1 0.894 3 4 0 -16.9144267427409 1237740 COCC(=O)NN=CC1=CC=C(O1)SC2=NC3=CC=CC=C3S2 1 3.019 3 3 -6.76021759149928 1237738 C1=CC=NC(=C1)SC2=CC=C(O2)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.604 4 4 0 -10.6728454769245 1237726 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CN=CC=C3 1 2.803 4 2 -7.7192232352166 1237724 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CN=CC=C3)Cl 1 2.981 4 2 -8.4089693778862 1237709 C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=N3)Cl 1 4.057 3 3 -10.7403791935519 1237682 CCOC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)C3=C(C=C(NC3=O)C)C 1 2.69 3 3 -11.8799108018221 1237675 CC1=CC=CC=C1OCC(=O)NN=CC2=CC=C(O2)SC3=NC4=CC=CC=C4S3 1 5.268 3 3 -5.62165875620745 1237671 C1CC2=C(C1)SC(=C2C#N)N=CC3=CC=C(S3)Br 1 4.54 2 0 -4.12754912025207 1237653 CCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1N 1 1.329 3 2 0 -21.3996697468699 1237650 COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)OC)OC 1 2.204 1 6 0 -20.0031153315562 1237649 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=NON=C3N)Cl 1 1.141 5 4 0 -10.8327908423751 1237630 C1=CON=C1NC(=O)C2=CC=C(O2)Br 1 1.571 2 3 0 -5.46881506265493 1237596 CC(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCC3=CC=CC=C3C2 1 4.564 1 1 -6.9284338622345 1237580 CCN1C=C(C(=N1)C)/C=C/2\C(=O)NC(=S)S2 1 2.122 3 1 1.39382022071263 1237579 CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)N(C)C)CC3=CC=CO3 1 5.891 3 2 -14.1536154172891 1237542 C1=CC=NC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.113 2 5 0 -12.7204628761168 1237479 C1CCC(=NNC(=O)CSCC2=CC=C(C=C2)Cl)C1 1 3.017 2 1 -10.5450951818423 1237475 C1CCN(CC1)CC(=O)NN=CC2=CC=CC=C2OCC3=CC=CC=C3 1 3.509 3 2 -4.62512946199774 1237450 CC1=NC=C(C=C1)C(=O)NN=CC2=CC(=C(O2)Br)Br 1 2.526 3 2 -7.60247258945025 1237415 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=CO2)NC(=O)C3=CC=C(C=C3)F 1 3.068 3 3 -8.96857945215762 1237414 CC(C)C(=O)NC1=CC=CC=C1C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.827 4 4 0 -15.9061357504377 1237386 C1COCCN1CC(=O)NC2=NC=C(C=C2)Br 1 0.781 3 2 0 -9.50724983476084 1237373 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NN=CC3=CC=CO3 1 2.846 3 4 0 -10.093422686767 1237343 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NN=CC3=CC=CC=C3OC 1 3.435 3 4 0 -9.68880454562882 1237339 C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC=CO3 1 2.898 3 3 -10.7703633809927 1237334 C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=C3O 1 3.873 2 4 -6.98692002016491 1237332 COC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br 1 4.2 3 3 -7.82067206870222 1237301 COC1=CC=C(C=C1)C(=O)NN=CC2=NC3=C(C=CC=C3OCC4=CC=CC=C4)C=C2 1 4.848 3 3 -7.64162142941136 1237299 CC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NN=CC3=CC=CO3 1 3.349 3 3 -11.7215160112998 1237293 COC1=C(C=C(C=C1)C=NNC(=O)CSC2=CC=CC=C2)OC 1 3.044 2 3 -10.5135518267207 1237240 C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.363 3 5 0 -10.9429776295601 1237239 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)OCCO3 1 3.328 3 3 -13.4167203079397 1237238 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)OCCO3 1 2.631 3 3 -11.1233344466811 1237232 C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC=C(O3)Br 1 2.432 2 4 -10.7456222109306 1237231 C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC4=C(C=C3)OCO4 1 2.237 2 5 0 -9.66820776064272 1237229 COC1=CC(=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)OCCO3)OC 1 2.436 2 5 0 -8.10239781580579 1237228 CCOC(=O)NN=C1CCC2=CC=CC=C21 1 2.316 2 2 -7.49404346180403 1237214 COC1=C(C=C(C=C1)CC(=O)NNC(=S)NC2=CC=CC=C2)Br 1 4.041 3 2 -8.44640564432127 1237189 CC1=NC(=NN1)CCN2C(=O)C3=CC=CC=C3C2=O 1 0.603 4 2 0 -4.64025824406747 1237112 CCOC(=O)C1=NN(C(=C1C(=O)C)C)C2=CC=C(C=C2)C 1 3.06 2 3 -6.30600398544362 1237111 CCOC(=O)C1=NN(C(=C1C(=O)C)C)C2=CC(=CC=C2)Cl 1 3.238 2 3 -2.23002276785833 1237001 CCOC1=CC=C(C=C1)N2NC3=C(NN=C3N2)N 1 0.919 6 1 0 -1.45665959703211 1236985 C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C(Cl)(Cl)Cl 1 4.058 0 2 2.00713239554443 1236977 COC(=O)C1=CC=C(C=C1)N2C3=C(CCC4=C3C=CO4)C(=N2)C(F)(F)F 1 4.667 2 3 -3.15910269164299 1236972 C1CC2=C(C=CO2)C3=C1C(=NN3C4=CC=C(C=C4)C(=O)O)C(F)(F)F 1 4.441 2 3 -2.039253643011 1236969 C1C2=CC=CC=C2C3=NC(=NN31)C4=CC=C(C=C4)F 1 3.3 3 0 6.23755720384943 1236968 C1CCC(CC1)NC(=O)C2=C(N=C(S2)N3CCOCC3)C4=CC=CC=C4 1 3.361 3 2 -3.80293530481849 1236967 C1CCN(CC1)C(=O)C2=C(N=C(S2)N3CCOCC3)C4=CC=CC=C4 1 2.626 3 2 -2.92899175770165 1236964 CC1=CC=C(C=C1)C2=C(SC(=N2)N3CCOCC3)C(=O)N4CCOCC4 1 1.883 3 3 0 -2.08432327900043 1236963 CC1=CC=C(C=C1)C2=C(SC(=N2)N3CCOCC3)C(=O)N4CCCCC4 1 3.112 3 2 -2.45447534138645 1236940 C1=CSC(=N1)NS(=O)(=O)C2=CC(=C(N=C2)Cl)Br 1 1.786 3 2 0 -3.0653962916178 1236939 CCN(C1=CC=CC2=CC=CC=C21)S(=O)(=O)C3=CN=C(C=C3)Cl 1 3.503 2 2 -8.68478035319801 1236909 CC(C)CC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.074 3 4 0 -19.5374779008198 1236908 CC(C)C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.828 3 4 0 -17.7068784273113 1236902 COC1=CC=CC=C1OCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.182 3 6 0 -20.1172765088635 1236900 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=CO4 1 2.532 3 4 0 -12.8027642092226 1236843 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)O 1 1.381 2 7 0 -19.274219393735 1236748 CCN1C(=NN=N1)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=C(C=C3)OC 1 1.869 5 4 0 -14.6053948203091 1236726 C1C2=CC3=CC=CC=C3C=C2CS1(=O)=O 1 2.024 0 2 -1.58265535714899 1236722 CC1=CC=C(C=C1)C(=O)/C=C/C(=C/C2=CC=CC=C2)/C 1 5.102 0 1 0.760052598929459 1236685 CCOC(=O)C1=CNC(=C(C1=O)Br)O 1 0.405 1 4 0 -5.54504017628532 1236672 C1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.616 3 0 4.21141750297689 1236667 C1=CC(=CC=C1OC2=NC=CC(=C2)N)F 1 2.237 2 1 2.92775644179394 1236665 CC1=CC2=CC=CC=C2N=C1Br 1 3.485 1 0 4.30612471314556 1236547 CN1CCN(CC1)NS(=O)(=O)C2=CC=C(S2)Cl 1 0.657 3 2 0 1.69023410256863 1236521 CN1C=C(C2=CC=CC=C21)/C=C\3/C(=S)NC(=O)S3 1 3.34 2 1 3.10649738217296 1236511 C1COC2=C(C=C(C(=C2)NC(=O)C3=CN=CC=C3)Br)OC1 1 2.06 2 3 -7.3060704896314 1236444 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)O 1 1.129 3 3 0 -12.3541585466074 1236439 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCOCC3 1 2.826 2 4 -6.91166856576721 1236438 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCCC3 1 3.6 2 3 -4.98890360182354 1236431 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CSC3=NNC(=N3)N 1 3.076 5 1 -4.19810707193437 1236411 C1=CC(=CC=C1/C=C\2/C(=O)N(C(=O)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O)Cl 1 3.327 2 5 0 -8.81176785577312 1236404 CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.742 2 4 -11.0195213945685 1236399 COC1=CC=CC(=C1OC)C2=NCCC3=CC4=C(C=C32)OCO4 1 3.304 1 4 -7.27412444626659e-002 1236387 CC1=C(C=CC(=C1)S(=O)(=O)N2CCSC2)OC 1 1.831 1 3 0 -8.10328579452278 1236385 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCSC2 1 2.762 1 2 -6.98148445168562 1236384 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCSC2 1 2.442 1 3 -8.70275452260988 1236382 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=CN4C=CSC4=N3 1 3.222 3 2 1.91125426750119 1236379 CC1=CC=CC2=NC(=CN12)C3=CC(=CC=C3)NC(=O)CC4=CC=CC=C4 1 3.619 3 1 -1.88593658415671 1236376 C1=CSC(=C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br 1 2.914 2 2 -5.56274732580823 1236362 CC1=CC=CC=C1C(=C)[N+]2=CC=CC=C2 1 3.753 1 0 -2.74838212286552 1236342 CCN1C2=CC=CC=C2N=C1CN3CCN(CC3)C4=CC=C(C=C4)Cl 1 4.46 4 0 6.4828760509712 1236299 C1CC2=CC=CC3=C(C=CC1=C23)NC4=CC=CC=C4 1 4.889 1 0 3.85441400239635 1236291 C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3N2)C4=CC=CC=C4 1 4.44 1 1 -4.42210946853583 1236225 CC(C)C1=C(C(=CC(=C1)N2CCC(=O)NC2=O)C(=O)O)O 1 1.452 2 5 0 -7.05211069286082 1236197 CC1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C 1 3.598 4 1 -10.3581174046376 1236192 CCC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3CC3 1 1.745 5 2 0 -16.5399772232041 1236189 CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3C(=O)OC 1 2.02 5 4 0 -19.4258707119997 1236180 CCOC(=O)C1=NN(C2=NC(=CC(=O)N12)NC3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 4.158 5 3 0 -4.17775720548668 1236179 CCOC(=O)C1=NN(C2=NC(=CC(=O)N12)NC3=CC=CC=C3)C4=CC=C(C=C4)C 1 3.98 5 3 0 -5.9997558960735 1236178 CCOC(=O)C1=NN(C2=NC(=CC(=O)N12)NC3=CC=CC=C3)C4=CC=CC=C4 1 3.494 5 3 0 -6.55409055326397 1236050 CCN1C(=C(C=N1)/C=C/2\C(=O)NC(=S)S2)C 1 1.985 3 1 0 1.97104017240965 1236049 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC(=C(C=C3)F)Cl 1 4.935 4 0 -5.56299404391415 1236046 CC1=C(C(=NN1C)C)/C=C/2\C(=O)NC(=S)S2 1 1.919 3 1 0 4.00163013613225 1236038 CN1C(=C(C=N1)Br)C(=O)NCC2=CC=CS2 1 2.051 3 1 -10.0366327481274 1236034 CCN1C(=C(C=N1)Br)C(=O)NC2=NOC(=C2)C 1 1.791 4 2 0 -13.6705249378345 1236024 CCOC1=CC=C(C=C1)C(=O)NC2=CN(N=C2)CC3=CC(=C(C=C3)Cl)Cl 1 4.509 3 2 -7.91905226270867 1236015 CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2CCCCCC2 1 3.664 3 1 -6.57280291584734 1236013 CC1=NN(C(=C1Cl)C(=O)N2CCOCC2)C 1 0.819 3 2 0 -7.3956121640711 1236011 CC1=C(C(=NN1C)C(=O)NC2CCCC2)[N+](=O)[O-] 1 1.558 4 3 0 -5.66560274885952 1236002 CN1C=C(C=N1)C(=O)NC2=CC(=C(C=C2)F)Cl 1 2.134 3 1 -3.79800026309635 1235998 CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=NOC(=C3)C)[N+](=O)[O-] 1 3.174 3 6 0 -15.4977910830659 1235997 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 1.807 4 4 0 -11.4385811247042 1235996 CC1=CC(=NO1)NC(=O)C2=NN(C(=C2Br)C)C 1 1.725 4 2 0 -12.6080700877475 1235984 CC(C)OC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2CC2 1 2.544 2 2 -13.8364278904215 1235974 CCN1C=C(C=N1)/C=C/C(=O)NCC2=C(N(N=C2C)C)C 1 1.166 5 1 0 -11.3067887749203 1235970 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)/C=C/C3=CN(N=C3)C 1 3.058 5 1 -10.7444881515022 1235959 CCN1C=C(C(=N1)C)CNC(=O)/C=C/C2=CN(N=C2)C 1 1.02 5 1 0 -13.9818565025688 1235957 CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)/C=C/C3=C(N(N=C3)C)C)C 1 3.025 5 1 -7.53552827949915 1235950 CCOC1=CC(=C(C=C1)/C=C(\C#N)/C(=O)NC2CC2)OCC 1 2.499 2 3 -14.7208360041503 1235939 COC1=NC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3C=C(C=N3)Br 1 2.968 4 2 -10.2005178785156 1235926 C1CCN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl 1 4.379 2 0 -8.36680516931851 1235837 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NN=CS4 1 1.856 4 3 0 -23.7444958577751 1235832 C1COCCN1S(=O)(=O)C2=C(SC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Br 1 1.57 2 6 0 -18.7318182004948 1235827 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(O3)C4=CC(=CC=C4)Cl 1 3.299 3 4 0 -11.5564329125777 1235826 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(O2)C 1 1.807 3 4 0 -26.3365885550212 1235823 CC1=NN=C(S1)SCC(=O)NC2=NC(=CS2)C(C)(C)C 1 2.569 4 1 -17.4849456641341 1235822 CC(C)(C)C1=CSC(=N1)SCC(=O)NC2=NC=C(C=C2)Cl 1 3.887 3 1 -10.9996636581411 1235821 CC1=CC(=NO1)NC(=O)CSC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.755 3 2 -15.290109665698 1235820 CC1=CC=C(C=C1)C2=CSC(=N2)SCC(=O)NC3=NOC(=C3)C 1 3.577 3 2 -17.3004049506186 1235819 CC1=CC(=NO1)NC(=O)CSC2=NC(=CS2)C3=CC=CC=C3 1 3.09 3 2 -17.5866247726 1235813 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC(=CS3)C 1 3.718 3 1 -10.1039876181375 1235812 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NCCS3 1 3.926 3 1 -8.99691289928872 1235811 CC1=CSC(=N1)NC(=O)CSC2=NCCS2 1 1.776 3 1 0 -14.7572738901193 1235810 CC1=CSC(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC 1 3.215 3 2 -10.3286572329478 1235806 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC(=CS3)C(C)(C)C 1 2.927 4 2 -23.8704556660534 1235802 C1C2CC3CC1CC(C2)C3NC(=O)CSC4=NN=C(O4)C5=CC=NC=C5 1 2.379 4 2 -10.8128082549213 1235801 C1=CC=NC(=C1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br 1 3.77 3 1 -6.43469558207434 1235797 C1=CC=NC(=C1)SCC(=O)NC2=NN=CS2 1 0.87 4 1 0 -13.8787482828162 1235796 C1=CC=C(C=C1)C2=C(OC(=N2)SCC(=O)NC3=NN=CS3)C4=CC=CC=C4 1 3.677 4 2 -5.51136215509956 1235792 CC1=CC=CC=C1C2=NN=C(O2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.428 5 3 0 -23.546724046377 1235786 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC=C(C=C2)Cl 1 2.531 2 3 -6.71939201445829 1235692 C1CSC2=NC(=O)/C(=C/C3=CC=C(C=C3)Cl)/N21 1 2.891 2 1 -7.9120371151262 1235420 CCC1=CC=CC=C1N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)OC)C 1 3.912 3 2 -6.78255716827204 1235418 CCC1=CC=CC=C1N2C(=C(C=N2)C(=O)NC3=CC=CC=C3OC)C 1 3.912 3 2 -9.97940890891815 1235415 CC1=CC=CC2=C1ON=C2CC(=O)O 1 2.063 1 3 -2.70649336979343 1235414 CC1=CC=CC2=C1ON=C2CC(=O)NC3=CC=CC=C3 1 3.218 2 2 -4.03373324228601 1235390 CC1=CN=C(C=C1)NC(=O)CC2=NOC3=CC=CC=C32 1 2.606 3 2 -6.70345125788047 1235386 C1=CC=C2C(=C1)C(=NO2)CC(=O)NC3=CC=CC=N3 1 2.12 3 2 -4.38347646822552 1235357 CCCC1=NN(C(=C1Cl)C(=O)NC2=CC=C(C=C2)C(C)(C)C)C 1 5.026 3 1 -0.15083090689221 1235356 CCCC1=NN(C(=C1Cl)C(=O)NC2=CC3=CC=CC=C3C=C2)C 1 4.534 3 1 -0.658021348023116 1235353 CC1=C(C(=CC=C1)NC(=O)CC2=NOC3=CC=CC=C32)C 1 3.704 2 2 -3.53942905630416 1235351 CC1=CC(=C(C=C1)NC(=O)CC2=NOC3=CC=CC=C32)C 1 3.704 2 2 -7.21063519866449 1235347 C1=CC=C2C(=C1)C(=NO2)CC(=O)NC3=CC=C(C=C3)Cl 1 3.396 2 2 -2.62629541109861 1235346 CC1=CC(=CC=C1)NC(=O)CC2=NOC3=CC=CC=C32 1 3.218 2 2 -2.65804277488108 1235337 CC1=CC=C(C=C1)OC2=NC=NC(=C2)N3C(=O)C(=C(C=N3)OC)Cl 1 2.88 4 3 0 0.733492333987216 1235325 CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC=CC5=CC=CC=C54 1 5.65 6 1 0 -0.360413265548829 1235321 CCOC(=O)C1=CC(=NN1C2=NC(=CC(=N2)Cl)OC)C 1 2.973 4 3 0 -10.111614230327 1235274 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NCC4=CN=CC=C4 1 4.234 3 3 -18.156304208067 1235256 C1CC2=C3C(=NC(=C2C1)C4=CC(=CC=C4)O)C=CC5=CC=CC=C53 1 5.686 1 1 5.45487081361937 1235243 CC1=NN(C=C1/C=C\2/C(=O)NC(=S)S2)C 1 1.773 3 1 0 4.42151687258919 1235233 CCOC1=NC(=NC(=C1)N2C(=C(C=N2)C#N)N)SC 1 2.007 6 1 0 -5.58364416066274 1235230 C1=C(C=C(C(=C1Br)O)Br)N2C=C(C(=O)NC2=O)Br 1 2.478 2 3 -0.877787097973799 1235226 COC(=O)C1=CC=C(C=C1)NCCC(=O)O 1 1.223 1 4 0 -8.98037333572094 1235204 COC1=CC2=CN=C(C=C2C=C1)C3=CC=CC=C3 1 3.518 1 1 5.62710572759333 1235194 CC1=CC2=C(C=C1)OC(=O)C=C2/C=C/C3=CC=CC=C3 1 4.332 0 2 0.56242485456802 1235169 CC(C)(C)C1=CC=CC=C1N=CC2=NC3=CC=CC=C3C=C2 1 5.441 2 0 7.53263646628818 1235115 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=C(C=CC=N4)C)C=CC=C3C1=O 1 2.61 3 3 -8.53958548778258 1235107 CSC1=NSC(=N1)NC(=O)NC2=CC=CC=C2 1 2.455 4 1 -1.53257863865823 1235062 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N3CCCCC3 1 0.403 4 4 0 -22.0406553658463 1235027 CC(=O)NC1=C(C=NN1C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 1.131 7 2 0 -7.62659643822949 1235021 COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2C(=O)NCCN3CCOCC3)Cl)Cl 1 2.961 3 4 0 -7.67943102022929 1235016 CC1=NN2C(=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4)C5=CC=CC=C15 1 4.091 3 1 -2.37285456738339 1235011 CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=CC=C2Br 1 3.706 3 3 -13.067285430578 1234994 C1CCN(CC1)C(=O)CN2C(=O)/C(=C/C=C/C3=CC=CC=C3)/SC2=O 1 2.798 2 3 -2.21182841054399 1234972 CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4 1 4.535 5 2 0 -22.0342701882632 1234955 COC1=CC(=C(C=C1)OC)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CCC(=O)O 1 3.173 2 6 0 -24.5013122114037 1234935 COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3)[N+](=O)[O-] 1 2.561 5 4 0 -5.90390626395311 1234910 CC1=CC(=CC=C1)CN2C=C(N=N2)C(=O)OC 1 2.366 3 2 -15.2029258580838 1234875 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=S)NC(=O)C3=C(C=CC=C3F)F 1 4.867 3 1 -4.54847219018388 1234873 C1CN(CCN1C2=CC=CC=N2)C(=S)NC(=O)C3=CC=CC=C3 1 3.465 4 1 -9.80473432938057 1234850 CCC(CC)C(=O)NC1=CC=CC=C1N2C=CC=C2 1 3.868 2 1 -7.81175117710857 1234827 CC1=C2C=CC=CN2C3=C(C(=C(C3=C1C4=CC=CC=C4)C(=O)OC)C(=O)OC)Cl 1 5.242 1 4 -1.79654421579997 1234753 COC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)N 1 1.257 4 2 0 -14.2418597527609 1234730 CCC12CN(CC(C1=O)(CN(C2)S(=O)(=O)C3=CC=C(C=C3)C)CC)S(=O)(=O)C4=CC=C(C=C4)C 1 3.836 2 5 0 -14.3925779293916 1234720 C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC(=C2)O 1 3.487 0 3 -1.41443789223177 1234718 C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC=C2O 1 3.487 0 3 -0.497033511065802 1234709 COC1=CC=C(C=C1)CC(=O)NC2=CC(=CC=C2)SC 1 3.174 1 2 -2.91127390811926 1234708 CCOC1=CC=CC=C1C(=O)OC2=CC3=C(C=CC(=C3)O)C=C2 1 4.26 0 4 -1.6125450999572 1234697 CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CC3=CC=C(C=C3)OC 1 3.903 2 3 -7.5912780017699 1234613 CCC(CC)C(=O)NC1=C(C=C(C=C1)C)O 1 3.236 1 2 -2.98312905660587 1234520 CC1=CC(=NC(=N1)NC(=O)C(C)C)C 1 1.387 3 1 0 -9.59848417870913 1234434 CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)C3=CC=CO3)C4=CC=CC=C4F 1 2.615 5 4 0 -5.16403823804483 1234435 CCOC1=CC=C(C=C1)N2C3=NC(=C(C(=O)N3C(=N2)C(=O)OCC)C#N)C4=CC=CO4 1 2.742 5 5 0 -6.2840948614565 1234436 CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)C3=CC=C(C=C3)C)C4=CC=CC=C4C 1 3.987 5 3 0 -4.2460734646256 1234437 CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl 1 4.165 5 3 0 -3.17022000031164 1234439 CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)C3=CC=C(C=C3)Cl)C4=CC=CC=C4C 1 4.165 5 3 0 -2.23577817970498 1234440 CCOC1=CC=C(C=C1)N2C3=NC(=C(C(=O)N3C(=N2)C(=O)OCC)C#N)CC(C)C 1 3.344 5 4 0 -8.08807731572843 1234441 CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)CC(C)C)C3=CC=C(C=C3)F 1 3.217 5 3 0 -6.63725680036782 1234442 CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)CC(C)C)C3=CC(=CC=C3)Cl 1 3.676 5 3 0 -4.32735643362414 1234443 CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)CC(C)C)C3=CC=CC=C3C 1 3.498 5 3 0 -6.41469200522641 1234444 CCOC(=O)C1=NN(C2=NC(=CC(=O)N12)NC3=CC=CC=C3)C4=CC(=CC=C4)OC 1 3.477 5 4 0 -6.67714141345696 1234433 CCOC1=CC=C(C=C1)N2C3=NC(=C(C(=O)N3C(=N2)C(=O)OCC)C#N)C4=CC(=CC=C4)OC 1 3.33 5 5 0 -4.52229355997473 1234421 CCOC(=O)C1=NN(C2=NC(=CC(=O)N12)NC3=CC=CC=C3)C4=CC=CC=C4F 1 3.699 5 3 0 -5.68966153304481 1234419 CCC1=C(C(=O)N2C(=NN(C2=N1)C3=CC=C(C=C3)Cl)C(=O)OCC)C#N 1 2.968 5 3 0 -6.86128210288904 1234396 CCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)C#N 1 3.119 3 1 -9.57844052950355 1234395 CC(=O)CSC1=NC(=O)C(=C(N1)CCC2=CC=CC=C2)C#N 1 2.401 3 2 -12.3789072084839 1234393 C1=CSC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)Cl)C#N 1 4.243 3 1 -9.82944388126593 1234392 CC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=CS2)C#N 1 1.577 3 2 0 -13.6612234627983 1234390 CC1=CC=C(C=C1)C2=C(C(=O)N3C(=C(SC3=N2)C#N)N)C#N 1 1.844 5 1 0 -0.455328138956226 1234389 CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 3.22 5 3 0 -4.75485808174841 1234387 CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)C3=CC=C(C=C3)OC)C4=CC=CC=C4 1 2.998 5 4 0 -5.59544514654979 1234379 CCC1=C(C(=O)N2C(=NN(C2=N1)C3=CC(=CC=C3)OC)C(=O)OCC)C#N 1 2.287 5 4 0 -9.26327208433454 1234306 CC1=NC2=NC(=C(C(=C2C=C1)Cl)C)N3CCCC3 1 3.656 3 0 -1.71638228016546 1234302 CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC(=O)C4=CC=C(C=C4)F)C)C 1 3.787 4 2 -2.33280507998438 1234300 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=C(C=C3)Cl)CC4=CC=CC=C4)C 1 4.088 4 1 1.70006727681836 1234299 CC1=C2C(=NN(C(=O)C2=NN1C3=CC(=CC=C3)OC)CC4=CC=CC=C4Cl)C 1 4.071 4 2 0.726365582742868 1234296 CCOC1=NN=C(C2=C(N(N=C21)C3=CC=C(C=C3)Cl)C)C 1 3.739 4 1 0.568654880255895 1234295 CCOC1=NN=C(C2=C(N(N=C21)C3=CC(=CC=C3)OC)C)C 1 3.058 4 2 -0.870269931540965 1234293 CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3F)N4CCN(CC4)C5=CC=CC=C5)C 1 4.119 6 0 2.46070379941349 1234288 CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)N4CCN(CC4)C5=CC=CC=C5)C)C 1 4.4 6 0 3.6143757712718 1234282 CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3F)N4C(=C(C=N4)C#N)N)C 1 2.431 8 0 0 -4.85468931551609 1234281 CC1=CC=C(C=C1)C2=CC(=NC3=C2C(=NC=N3)N)C4=CC=C(C=C4)F 1 4.382 4 0 1.39171930093446 1234278 C1=CC=C(C=C1)C2=NC3=C(C(=C2)C4=CC=C(C=C4)F)C(=NC=N3)N 1 3.896 4 0 1.75580645947762 1234277 CC1=C(NC2=C(C1=O)C=CC=N2)O 1 1.487 2 2 0 -0.465275775974267 1234276 CCOC(=O)C1=NN(C2=NC(=CC(=O)N12)NC3=CC=CC=C3)C4=CC=CC=C4C 1 3.98 5 3 0 -5.23372707247924 1234275 CCOC(=O)C1=NN(C2=NC(=CC(=O)N12)NC3=CC=CC=C3)C4=CC=C(C=C4)F 1 3.699 5 3 0 -5.28787887060825 1234273 CCOC(=O)C1=NN(C(=C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F 1 6.108 2 3 -1.83753526024717 1234270 CCOC(=O)C1=NN(C(=C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4F 1 6.108 2 3 -4.62150667370713 1234269 CCOC(=O)C1=NN(C(=C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.903 2 3 -3.50893625834829 1234268 CCOC(=O)C1=NN(C(=C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)OC 1 5.886 2 4 -2.26373263344724 1234267 CCOC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)OCC)C(=O)C)C 1 2.907 2 4 -6.85665088100518 1234251 CCOC1=CC=C(C=C1)N2C(=C3C(=NNC(=O)C3=N2)C)C 1 1.966 4 2 0 -6.20219291811812 1234247 CC1=C2C(=NNC(=S)C2=NN1C3=CC=CC=C3)C 1 2.656 4 0 -3.38911544072778 1234246 CC1=CC=C(C=C1)N2C(=C3C(=NNC(=S)C3=N2)C)C 1 3.142 4 0 -2.91091952447396 1234244 CC1=C2C(=NNC(=S)C2=NN1C3=CC(=CC=C3)OC)C 1 2.64 4 1 -2.41059199998524 1234242 CCOC1=CC=C(C=C1)N2C(=C3C(=NNC(=S)C3=N2)C)C 1 2.988 4 1 -3.90181229099232 1234241 CC1=C2C(=NNC(=S)C2=NN1C3=CC=CC=C3F)C 1 2.861 4 0 -3.89617849931987 1234240 CC1=C2C(=NNC(=S)C2=NN1C3=CC(=CC=C3)Cl)C 1 3.32 4 0 1.16506169311134 1234237 CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SC(C)C)N 1 2.529 4 3 0 -22.5612368463376 1234230 CCOC(=O)C1=NN(C2=NC(=CC(=O)N12)NC3=CC=CC=C3)C4=CC(=CC=C4)Cl 1 4.158 5 3 0 -3.07537273038934 1234208 CC1=CC2=C3COCC3=C(N=C2C=C1)C 1 2.342 1 1 2.26307356214718 1234197 CSC1=C2CCCC2=NC3=NC=NN13 1 2.385 4 0 -6.87221449726831 1234186 CC1=C(N2C=CC=CC2=N1)C(=O)NNC(=S)NC3=CC=C(C=C3)Cl 1 3.39 5 1 -5.11071159406068 1234175 CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4C5=CC=CC=C5)C#N 1 5.07 4 0 -9.67389613600433 1234158 CN1C(=NN=C1SCC2=NNC(=S)N2C3=CC=CC=C3)C4=CC=CC=C4 1 4.108 6 0 -10.3677606804203 1234116 CCC(=O)C1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C)OC(=O)C(C)C 1 4.136 0 5 -9.46906577901629 1234099 CC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)CCC4=CC=CC=C4 1 4.355 4 0 -1.48298938963063 1234098 CC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=NC=C4 1 2.714 5 0 -0.69315645395296 1234091 C1=CC=C(C(=C1)OCC2=NN3C(=NN=C3S2)C4=CC=NC=C4)Cl 1 2.727 5 1 -1.65157070536388 1234088 C1=CC=C(C=C1)CCC2=NN3C(=NN=C3S2)C4=CC=NC=C4 1 2.719 5 0 -2.14018281507298 1234087 C1=CC=C(C=C1)CC2=NN3C(=NN=C3S2)C4=CC=NC=C4 1 2.262 5 0 -2.60701209214405 1234059 C1=CC=C2C(=C1)N=CN2CC3=NN=C4N3N=C(S4)C5=CN=CC=C5 1 1.801 7 0 0 -9.36865797628671 1234057 C1=CC=C2C(=C1)N=CN2CC3=NN=C4N3N=C(S4)C5=CC=CS5 1 2.905 6 0 -11.5091455613387 1234055 C1=CC=C(C=C1)OCC2=NN3C(=NN=C3S2)CN4C=NC5=CC=CC=C54 1 2.787 6 1 0 -8.40439048767847 1234036 CC1(NC2=CC=CC=C2C(=O)ON1)C 1 0.733 2 2 0 -3.3688513944433 1234022 CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CCCC4 1 4.796 2 4 -31.1629188798884 1233996 CC(C)(C)N(C(=O)C1=CC=C(C=C1)OC)NC(=O)OC2=CC=CC=C2 1 3.547 2 4 -6.19874024006633 1233967 CCN1CCN(CC1)CNC(=O)C2=NC=CN=C2 1 -0.408 5 1 0 -9.2661905548893 1233965 CC1=NC(=C2C=CSC2=N1)OC3=CC=CC=C3 1 3.167 2 1 -0.739085791027484 1233932 C1=CC=NC(=C1)C=NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4 1 3.137 4 1 -2.55005959790714 1233931 C1=CC=C2C(=C1)C(=NN3C2=NN=C3)C4=CC=CS4 1 2.966 4 0 -5.08580053046148 1233904 CC(C)OC(=O)C1=CC2=CC=CC=C2N1 1 2.996 1 2 -1.44213372482221 1233884 CC1=CC(=C(C=C1)C)N(CC2=CC=CC=C2F)S(=O)(=O)C 1 3.708 1 2 -5.48993347540482 1233880 COC1=CC=C(C=C1)CNC(=O)CN(C2CCCCC2)S(=O)(=O)C 1 1.855 2 4 0 -14.8137477282106 1233835 CN1C(=NN(C1=S)CC(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)OC 1 3.255 4 2 -8.91492070523152 1233834 CC1=C(N=CC=C1)NC(=O)CN2C(=S)OC(=N2)C3=CC=CC=C3 1 3.26 4 2 -5.27936297388809 1233817 CN1C(=O)C(=CN2CCN(CC2)C(=O)C3=CC=CO3)C(=O)N(C1=S)C 1 0.474 4 4 0 -6.24156331570147 1233738 CCN1C(=C(C=N1)/C=C\2/C(=O)N(C(=S)S2)CC)C 1 2.54 3 1 -6.09264843520439 1233736 C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=S)NCC3=CC=CC=C3 1 2.771 3 3 -11.7651626800288 1233632 CCNC1=NC(=S)N=C(N1)NC(C)C 1 1.835 5 0 0 -7.25008226409471 1233552 CN(CC(=O)NC1CCCCCC1)S(=O)(=O)C2=CC=C(C=C2)Br 1 3.069 2 3 -11.8796021757386 1233523 CN1CCN(CC1)C(=S)C2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl 1 5.158 2 1 3.31647617598086 1233501 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)CC(=O)NCC3=CN=CC=C3 1 2.771 3 3 -21.3219953407188 1233406 COC1=CC=CC(=C1OCC2=CC=C(C=C2)C(=O)O)/C=C\3/C(=O)NC(=O)S3 1 3.122 1 6 0 1.59086347685601 1233366 CC1CCN(CC1)C(=S)C2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F 1 6.125 2 0 -7.99435805973696 1233277 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C3C(=O)C4=CC=CC=C4C3=O 1 4.033 1 4 -3.78695611170925 1233227 CC1=CC=C(O1)/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)OC)S2)CC(C)C 1 4.701 2 3 -4.72535343170584 1233149 CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)/C=C\3/C(=O)N=C(S3)NC4=CC=C(C=C4)F 1 3.857 4 3 0 -10.2211700750003 1233135 CC1=CC(=C(N1C)C)/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)OC)S2)C 1 3.559 3 2 -2.76104332893962 1233123 CC1=CC(=C(N1C2=CC3=C(C=C2)N=CC=C3)C)C=NNC(=O)C4=CC=CS4 1 3.99 4 1 -4.87022004034109 1233111 CC1=CC(=C(N1C)C)/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)OC)S2)CC(C)C 1 4.751 3 2 -5.84881334060801 1233093 CC1=CC=C(S1)/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)OC)S2)CC(C)C 1 5.259 2 2 -3.51995242273099 1233035 CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)/C=C\3/C(=O)N=C(S3)NC4=CC=CC=C4 1 3.651 4 3 0 -11.0897012388389 1233014 CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=NC=CS2 1 1.555 4 1 0 -15.3064438741873 1232955 CC1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC 1 1.836 2 5 0 -15.6093065577992 1232953 CC1=CC=C(O1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)O 1 3.09 1 4 -1.78265244461588 1232949 C1CC2=C(C1)SC3=NC=NC(=C23)OC4=CC5=C(C=C4)C=CC(=O)O5 1 4.208 2 3 -6.93117405184531 1232935 C1CC(=O)C(=NNC2=CC3=C(C=C2)N=CS3)C(=O)C1 1 2.097 3 2 -8.68469177253787 1232925 C1CCC2=C(C1)C(=S)N=C(N2CC3=CN=CC=C3)C4=CC=CC=C4Cl 1 4.688 3 0 -7.1154859310339 1232838 C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)C=C(N3)C4=CC=C(C=C4)F 1 2.503 3 1 1.56446651700796 1232797 C1=CC(=C(C=C1C=NN2C(=NN=N2)N)[N+](=O)[O-])Cl 1 1.139 7 2 0 -6.13870812722632 1232775 CC(C)CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NN=CC3=CC(=CC=C3)F 1 4.217 3 3 -1.67458655221854 1232757 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NN=CC3=CC(=CC=C3)F 1 3.897 3 3 -1.17373704840301e-002 1232742 C1CN(CCN(C1)C(=O)COC2=C(C=C(C=C2)Cl)Cl)C(=O)COC3=C(C=C(C=C3)Cl)Cl 1 4.515 2 4 -4.12606512337639 1232733 CC(C)CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N 1 1.153 2 3 0 -9.09377387526213 1232727 CCOC(=O)CSC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C 1 2.018 4 4 0 -17.1945535026229 1232708 C1CN(CCN1C2=CC=CC=N2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 1.394 4 3 0 -8.25685024854832 1232682 CC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)Br 1 3.711 2 2 -0.32057440398859 1232659 C1CC2=CC=CC=C2N(C1)C(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CS5)C(F)(F)F 1 5.988 4 1 -13.4342200863114 1232559 CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)/C=C/4\C(=O)NC(=O)N4 1 2.952 4 2 -18.8104655788911 1232518 C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=CC=C(O4)C5=CC(=C(C=C5)C(=O)O)Cl)S3 1 5.501 2 4 -3.4629221280043 1232495 C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.257 2 4 -10.784589050532 1232491 C1=CC=C2C(=C1)C(=CN2)CCNS(=O)(=O)C3=CC=C(C=C3)F 1 3.144 2 2 -5.99028629871898 1232481 C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)C3=CC=C(C=C3)Br 1 2.839 2 4 -16.1804050704288 1232478 C1=CC=C(C=C1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32 1 2.091 2 4 -17.5098045804359 1232477 CC1=CC(=C(C(=C1N2C=NN=N2)C)S(=O)(=O)N)C 1 0.88 5 2 0 -13.4130200981206 1232476 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC(=C2)N3CCOCC3)OC 1 2.899 2 4 -7.52508940871059 1232432 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=C(C(=CC=C3)Cl)C 1 4.426 2 5 0 -16.0950742492502 1232427 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)Cl 1 3.94 2 5 0 -14.1843519899502 1232369 C1=CC=NC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)F 1 2.268 3 3 -5.01443086967669 1232333 COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC3=CC=CC=C3)OCC4=CC=NC=C4 1 4.131 2 4 -6.37914517467588 1232320 COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)OCC4=CC=NC=C4 1 4.796 2 4 -3.74233157930946 1232218 C1COCCN1C(=O)CN2C(=O)/C(=C\C3=CC=CS3)/SC2=O 1 1.054 2 4 0 -11.836596651806 1232211 C1COCCN1C(=O)CN2C(=O)/C(=C\C3=CN=CC=C3)/SC2=O 1 -4.9e-002 3 4 0 -11.3553154108947 1232207 C1COCCN1C(=O)CN2C(=O)/C(=C\C3=CC=NC=C3)/SC2=O 1 -4.9e-002 3 4 0 -10.490811603472 1232199 C1COCCN1C(=O)CN2C(=O)/C(=C\C3=CC=CC=N3)/SC2=O 1 0.379 3 4 0 -9.46276392567078 1232189 C1COCCN1C2=CC=C(C=C2)/C=C/3\C(=O)N(C(=O)S3)CC(=O)N4CCOCC4 1 0.951 3 5 0 -9.54158751742334 1232170 CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4 1 4.105 2 6 0 -5.69993175766213 1232167 CC1=C(SC=C1)/C=C/2\C(=O)N(C(=O)S2)CC(=O)N3CCOCC3 1 1.541 2 4 0 -11.138813155406 1232165 CC1=CC=C(S1)/C=C/2\C(=O)N(C(=O)S2)CC(=O)N3CCOCC3 1 1.2 2 4 0 -9.05056723504642 1231901 C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)SC(F)(F)F 1 6.773 2 0 -4.01670449599796 1231838 C1CN(CCC1CNS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.056 2 4 -16.6020854651116 1231820 CC1=NN(C=C1)CC(=O)NNC(=S)NC 1 0.204 5 1 0 -18.0745246466549 1231799 CC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)Cl)C 1 3.174 3 1 -4.9637688515862 1231797 CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N3CCOCC3 1 2.831 1 4 -7.60860685849833 1231795 CC1=CC(=CS1)C(=O)NNC(=S)NC2CCCCC2 1 3.085 3 1 -11.2740497523696 1231792 CC1=C(SC=C1)C(=O)NNC(=S)NC2CCCCC2 1 3.717 3 1 -11.1409813896912 1231788 CC1=C(C(=NN1CC(=O)NNC(=S)NC2=CC=CC=C2)C)[N+](=O)[O-] 1 2.098 6 3 0 -12.0647295162719 1231783 CCN1C=C(C(=N1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)O 1 2.874 3 2 -5.64396346118549 1231769 COC1=CC(=CC(=C1)NC(=O)CCC2CCCC2)N3C=NN=N3 1 2.192 5 2 0 -24.7760315182328 1231757 CCN1C=C(C(=N1)C)CN(C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.72 3 2 -6.43366981452306 1231742 CC1=NN(C(=C1Cl)C(=O)NNC(=S)NC2CCCCC2)C 1 3.166 5 1 -8.80766321756082 1231738 CC1=CC(=NN1C)C(=O)NNC(=S)NC2=CC=CC=C2 1 2.498 5 1 -7.17398432461307 1231736 CCOC(=O)C1=CC(=NN1C)C(=O)N2C=C(C=N2)Cl 1 2.166 4 3 0 -5.38525514258883 1231735 C1=C(N2C(=C(C=N2)C(=O)O)N=C1C(F)F)C(F)F 1 1.496 3 2 0 -7.74382555751358 1231596 COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)C3=CC(=CC=C3)Cl 1 4.025 2 6 0 1.42633086924181 1231567 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C\3/C(=O)N(C(=NC4=CC=C(C=C4)C(=O)OC)S3)C 1 3.857 4 3 0 -8.50842734481352 1231538 C1COCCN1C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)Cl 1 5.131 3 3 -12.9588652159642 1231499 COC1=CC(=C(C(=C1)OC)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3F)OC 1 2.94 2 6 0 -8.83853172522763 1231480 CC1=C(C(=CC=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C)C 1 2.558 2 3 -13.8210150311112 1231454 C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)NN=CC4=CN(C5=CC=CC=C54)CC#N 1 4.416 4 2 -1.74739128321919 1231453 CCOC(=O)COC1=CC=CC=C1C=NNC(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43 1 4.226 2 5 0 -7.17290914676102 1231451 CC1=C(C=C(C=C1)C2=CC=C(O2)C=NNC(=O)C3=CC4=C(O3)C=CC5=CC=CC=C54)[N+](=O)[O-] 1 5.772 3 5 0 -1.67451824919679 1231422 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=O)CS3)N=CC4=CC=CC=C4Cl 1 3.49 5 2 0 -15.362142228258 1231390 COC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N3CCCCC3 1 3.461 2 3 -15.2890832398116 1231373 CC1=C(C(=O)C=CC1=NOC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C 1 3.03 2 5 0 -2.28174326863346 1231360 C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)O)F 1 3.895 2 3 -9.90653746076063 1231306 COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl 1 4.032 2 6 0 0.500273976672991 1231268 C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OCC(=O)O 1 3.402 1 5 -4.86998242752939 1231235 COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F 1 3.573 2 6 0 -0.609847688448576 1231206 CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C=NNC(=O)C3=CC=NC=C3 1 3.642 4 1 -2.23277819657275 1231196 CC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43)[N+](=O)[O-] 1 4.567 3 4 0 -3.3881795882143 1231191 CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)C=NNC(=O)C3=CN=CC=C3)C 1 3.125 4 3 0 -11.3844446222652 1231186 CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=O)C3=CC4=C(O3)C=CC5=CC=CC=C54 1 5.772 3 5 0 0.911160112928203 1231181 C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)NN=CC4=CC(=CC=C4)[N+](=O)[O-] 1 4.081 3 4 0 -3.62177092727809 1231176 CCOC1=C(C=CC(=C1)C=NNC(=O)CC2=CC=CC=C2)OCC(=O)NC3=CC(=C(C=C3)C)C 1 4.643 3 4 0 -13.7078927973365 1231130 CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=CC=C4F 1 3.279 3 7 0 -6.46133257819284 1231043 C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)O 1 2.17 2 5 0 -8.39135134580166 1231044 CC1=C(C(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=N4)C 1 3.584 3 3 -10.4161532310312 1231048 CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)O 1 0.835 2 5 0 -20.1369601422507 1231051 CCC(CC)C(=O)NC1=CC=C(C=C1)C(=O)NC2=NOC(=C2)C 1 2.915 3 3 -19.0204555282866 1231056 COC1=C(C=C(C=C1)NC(=O)CCC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 3.269 2 4 -12.7774552790579 1231059 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)NC(=O)C 1 2.66 3 2 2.07508279441936 1231062 COC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4 1 2.395 2 5 0 -13.8100246362434 1231064 CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CN=CC=C2 1 2.13 3 2 -14.1616399886858 1231065 CC1=C(C=CC=C1NC(=O)C2=C(N=CC=C2)C(=O)O)C(=O)OC 1 1.864 2 5 0 -10.0157847285967 1231090 CC1=CC=C(O1)/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)C 1 3.155 2 4 -4.09717116923966 1231040 CCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C(C)(C)C 1 1.979 4 3 0 -19.4455299260899 1231039 CCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC(C)C 1 2.24 4 3 0 -20.1545922410486 1231035 C1=CC(=CC=C1OCC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O)Br 1 2.024 2 4 -8.63893450793578 1231021 CC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 4.058 2 5 0 -11.3704549938142 1231008 CCOC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O 1 3.503 1 7 0 -20.1130096870831 1231007 CC1=CC(=C(C=C1C)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)C 1 3.168 1 6 0 -7.22112545160928 1230985 CC(C)CNC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC 1 3.032 2 3 -12.8250264467854 1230984 CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC=CC=C2C(F)(F)F 1 4.364 1 2 -7.72403082337536 1230975 C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)O 1 3.135 2 5 0 -15.7955550197397 1230972 COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 3.822 3 3 -1.20067707950372 1230971 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)OC 1 1.095 2 7 0 -14.3954925932861 1230951 COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4 1 3.857 3 3 -2.71033484845224 1230941 COC1=CC=CC=C1CC(=O)NC2=CC=CC(=C2)C(=O)NN3C(=O)C4=CC=CC=C4C3=O 1 2.498 3 5 0 -14.44989171373 1230936 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)CSCC3=CC=C(C=C3)Cl 1 4.094 2 4 -14.366330407958 1230931 C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)C3=NC=C(C=C3)Cl 1 2.121 2 4 -5.06775809554952 1230862 CC1=C2C(=CC=C1)N=C(N=C2N[C@@H](CO)C3=CC=CC=C3)C4=CC=CC=C4 1 4.442 3 1 3.42097308624045 1230852 COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C5CCC5 1 4.219 4 3 0 1.40574120941769 1230851 COC1=C(C=C2C(=C1)C(=NC(=N2)C3CCC3)N4CCN(CC4)C5=CC=CC=N5)OC 1 3.624 5 2 0 1.95339938860806 1230260 C=CCN1C(=O)CSC1=NC2=CC=C(C=C2)O 1 2.463 2 2 -8.11635844825014 1230252 CN1C=NC(=C1C(=O)N(C)C)[N+](=O)[O-] 1 6.2e-002 4 3 0 -6.00810542335979 1230240 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O 1 4.721 1 3 -4.28501442002788e-002 1230224 C1=CC(=CC=C1C2=C(SC(=N2)N)C(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 3.662 4 3 0 3.08202246976981 1230208 CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 4.202 3 2 -11.7068849126742 1230191 COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)O 1 3.673 2 4 -11.03138069537 1230189 CC(C)(C)C1=NN2C=NN=C2N(C1=O)N=CC3=CC=C(C=C3)OC 1 2.375 6 2 0 -5.26927580793383 1230046 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 4.148 2 2 -5.12608458895991 1230027 CN1C(=C(C=N1)N=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3OC 1 3.03 5 4 0 -6.278212199846 1230006 C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5 1 5.519 3 1 -1.63977410017723 1229933 C1=CN(N=C1)C2=CC=C(C=C2)CNC(=O)CN3C=C(C=N3)[N+](=O)[O-] 1 1.244 6 3 0 -12.489553934258 1229909 CN1C=C(C(=N1)C2=NNC(=S)N2C3=CC=C(C=C3)F)Cl 1 3.626 5 0 2.26674789850323e-002 1229863 CCOC(=O)C1=NN(C(=C1Cl)C)C 1 1.922 2 2 0 -4.01256720488255 1229843 CCC1=NOC(=C1C(=O)NC2=NC(=C(S2)C)C3=C(C=CC(=C3)C)C)C 1 4.225 3 2 -13.8616648586058 1229825 CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=CC(=N2)C(F)F)C(F)F)C 1 3.016 3 3 -17.6643182253862 1229805 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=CC=C4 1 5.899 3 1 -9.05814537717002 1229795 CC1=C(C(=NN1C)C(=O)NNC(=S)NC2=CC=CC=C2OC)Br 1 3.23 5 2 0 -7.78199941883708 1229788 CC1=NN(C=C1C(=O)NNC(=S)NC2=CC=C(C=C2)F)C 1 2.412 5 1 -5.6501223271672 1229757 CC1=C(SC=C1)C=NNC(=O)C2=NOC(=C2)C 1 2.151 3 2 -11.3099961820288 1229755 CC1=C(SC=C1C(=O)NN=CC2=CC=CO2)C 1 2.372 2 2 -3.69436681050371 1229749 C1=CN(C=C1)C2=CC=C(C=C2)C(=O)NN=CC3=CC=NC=C3 1 2.409 4 1 -4.78143040638437 1229747 COC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)COCC(C(F)F)(F)F 1 3.475 2 3 -9.44281363424311 1229743 CC(C)C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NN=CC3=CN=CC=C3 1 4.294 3 2 -4.59174996968082 1229739 CCOC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NN=CC3=CN=CC=C3 1 3.432 3 3 -6.05617119385274 1229737 C1CSCC1=NNC(=O)C2=C(C=CC(=C2)Br)O 1 1.911 2 2 0 0.358348997755841 1229719 CC1=CC=CC=C1C(=O)NN=C(C)C2=CC=C(C=C2)N3CCOCC3 1 3 3 2 -10.7814892071213 1229713 CC(=NNC(=O)C1=CC=C(C=C1)OC)C2=CC=C(C=C2)N3CCCCC3 1 3.726 3 2 -6.5951155354515 1229711 CC1=CC=C(S1)C=NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.605 3 3 0 -3.6076955138021 1229694 CNC1=NC=C(S1)CC2=CC=CC=C2 1 2.008 2 0 -4.59493967762064 1229693 CC1=CSC(=N1)NC(=O)C(F)(F)F 1 1.318 2 1 0 -3.69348108842373 1229692 CC(=O)NC1=NC(=CS1)C(F)(F)F 1 1.318 2 1 0 -2.19137612426816 1229634 CC1=C(C=C(C(=O)N1)C(=O)C2=C(C=CC(=C2)Cl)O)C(=O)O 1 1.566 1 5 0 -1.18271522777066 1229632 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)Cl 1 4.951 2 1 -1.5896479669456 1229599 CCCN1C2=C(C=C(C=C2)Cl)C3(C1=O)OCCO3 1 2.262 1 3 -5.13287296163527 1229560 CC1=CN(C(=S)N1C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3 1 4.808 2 1 -4.84850083235022 1229516 CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)N(C(=O)S3)CC(=O)NC4=CC5=C(C=C4)OCO5 1 3.052 3 5 0 -7.19379633986025 1229513 CC1=C(C2=CC=CC=C2N1C)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC5=C(C=C4)OCO5 1 3.197 3 5 0 -8.74616719034136 1229485 CC1=CC=CC(=N1)/C=C/2\C(=O)N(C(=O)S2)CC3=CC=CC=C3 1 3.292 2 2 -1.51371536819904 1229475 CC1=CC=CC(=N1)/C=C/2\C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl 1 3.956 2 2 -1.3291180233341 1229341 COC1=CC(=CC(=C1OC(=O)CC2=CC=C(C=C2)F)OC)C(=S)N3CCOCC3 1 3.994 1 5 -11.7690416864377 1229322 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=CC3=CC=CC=C32 1 1.603 3 4 0 -11.1629634691011 1229154 CC1=NC2=CC=CC=C2C=C1C(=O)NN=CC3=CC=CC=C3[N+](=O)[O-] 1 3.046 4 3 0 -4.04106348017075 1229151 CC1=CC2=C(C=C1)N=C(C=C2SCC(=O)NN=CC3=CC=CO3)C 1 3.427 3 2 -5.20378773496409 1229143 CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 3.268 3 3 -3.42489926724481 1228979 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=C\3/C(=O)N=C(S3)N 1 3.369 3 1 -2.41442523239135 1228961 COC1=C(C=C(C=C1)/C=C\2/C(=O)N=C(S2)N)Cl 1 2.644 2 2 -3.86495666039348 1228917 CCOC(=O)CN1C=C(N=N1)C2=CC=CC=C2 1 2.015 3 2 -9.17379739770499 1228916 CCOC(=O)C1=C(N(N=N1)C2=CC=CC=C2)C 1 2.367 3 2 -10.0757996430132 1228907 CC1=CC(=NO1)C2=NN=C(N2C3=CC=CC=C3)SC 1 3.013 4 1 -6.51125482758233 1228857 C1=CC(=CC=C1/C=C\2/C3=C(C=CC(=C3)Br)NC2=O)C(=O)O 1 3.109 1 3 -5.83323466891518 1228702 C1COCCN1CCNC(=O)C2=CN=C(C=C2)Cl 1 0.587 3 2 0 -11.4257351474967 1228698 C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(S3)Cl 1 2.85 1 2 -8.05443410353327 1228664 C1=CC(=CC(=C1)F)/C=C\2/C(=O)N=C(S2)NC3=CN=CC=C3 1 2.834 3 1 -3.68817703887955 1228660 CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=CC4=C(C=C3)OCO4 1 4.607 1 3 -1.36984754884795 1228659 CC1=C(NC(=C1C(=O)OC)C)C2=CSC(=N2)N 1 1.899 3 2 0 -0.502650894762578 1228655 CCOC(=O)C1=NN(C=C1O)C2=CC3=CC=CC=C3C=C2 1 3.355 2 3 4.47552234856593 1228647 CCOC(=O)C1=C(N(N=C1)C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4)N 1 3.269 5 2 0 -7.62289979283391 1228645 CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1N4C=CC=C4 1 3.556 3 1 -4.17528755860003 1228616 CC1=CC=C(S1)/C=C\2/C(=O)N=C(S2)N 1 2.095 2 1 -0.771253461988088 1228544 COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3)Cl 1 4.375 2 3 -10.5101064555986 1228532 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)OC 1 3.257 3 3 -5.03480174523382 1228509 CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=CC(=C3)C 1 3.606 3 3 -6.10405144449878 1228500 COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3)Cl 1 4.375 2 3 -10.5123641849549 1228499 COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)OC)OC 1 3.084 0 6 -10.5842356163165 1228490 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)OC 1 3.257 3 3 -5.33782829279076 1228486 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3C 1 3.463 3 3 -7.12277160806826 1228484 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CO3 1 3.791 2 4 -7.47614266064025 1228482 CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CO3 1 3.945 2 3 -7.96555049819934 1228480 COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 2.778 2 4 -6.1531369286743 1228476 CCOC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 3.127 2 4 -10.5868383368444 1228458 C1CCC(CC1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CC=C3F 1 4.55 2 2 -11.3805658039526 1228455 CC(C)CCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=CC=C2F 1 4.273 2 2 -15.8193633917689 1228451 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C3=CC=CC=C3F 1 3.81 2 2 -8.42023881696335 1228450 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3F 1 3.479 3 2 -7.60740867736626 1228445 CCOC(=O)C1=C(C=CC(=C1)NC(=O)COC)O 1 0.649 1 5 0 -7.20415426568464 1228444 COCC(=O)NC1=C(C=CC(=C1)C(=O)NCCC2=CC=CC=C2)Cl 1 2.464 2 3 -12.9414857590249 1228437 CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC 1 1.751 2 3 0 -13.6643808767353 1228431 CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC 1 2.622 2 3 -11.8576610852353 1228428 COCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2Cl 1 2.136 2 3 -9.24739175242244 1228427 COCC(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)Cl 1 2.136 2 3 -9.75233562156398 1228425 CC1=C(C(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC)C 1 3.108 2 3 -8.28670903733701 1228415 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Cl 1 3.938 3 2 -3.1028633930598 1228389 CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCCC3 1 4.555 2 2 -4.72312024367058 1228382 C1CCC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3)Cl 1 4.069 2 2 -2.61779477999921 1228378 CCOC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3)Cl 1 4.724 2 3 -12.8640275390428 1228370 CCOC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=CC(=C3)C 1 3.606 3 3 -8.31656785359124 1228359 CCOC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)NCC(C)C)Cl 1 4.011 2 3 -13.4185096597409 1228188 CCC(=O)NC1=NN=C(S1)SCC 1 1.523 3 1 0 -14.0986103005629 1228183 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.602 3 2 -2.11154338394073 1228101 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3(CCCC3)C#N)OC 1 3.915 2 3 -12.5115224363558 1228099 C1CCN(CC1)C(=O)CN2C(=O)CSC2=O 1 0.434 2 3 0 -17.0298724684191 1228081 CN1C=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)Cl 1 3.04 3 3 -7.32091091538499 1228063 CN1C=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)F 1 2.581 3 3 -8.43103258050655 1227950 CC1=CC(=C(N1C)C)/C=C/2\C(=O)N(C(=O)S2)CC(=O)OC(C)C 1 2.172 2 4 -9.61573281296591 1227914 CN(C)C(=O)CSC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 1.928 4 2 0 -22.902762965125 1227876 C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)Br)Cl 1 3.865 2 2 -1.87218696886935 1227859 CC1=C(C(=NN1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C)Br 1 2.702 3 4 0 -7.66682921971062 1227841 CCC(=NNC(=O)C1=CC=C(C=C1)Br)C2=CC=C(C=C2)OCCN3CCOCC3 1 3.889 3 3 -6.62113132524327 1227839 CCC(=NNC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)OCCN3CCOCC3 1 3.14 3 3 -7.96450865749561 1227792 CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC(=CC=C3)NC(=O)C(C)(C)C 1 3.098 3 4 0 -18.1775564316757 1227834 CCC(C)(C)C1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.246 4 3 0 -12.1362561101954 1227809 CCC(=NNC(=O)C1=CC=C(C=C1)OC2CCCC2)C3=CC=CS3 1 4.669 2 2 -9.91813703893034 1227797 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)COCC(C(F)F)(F)F 1 3.26 2 4 -10.7791557508389 1227779 CCN1C=C(C(=N1)C)C=NNC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4 1 4.679 5 1 -4.4195200487415 1227775 CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C)Br 1 4.322 5 3 0 -11.620025055762 1227774 CN1C(=CC=N1)C=NNC(=O)C2=CC(=NN2CC3=CC=CC=C3)[N+](=O)[O-] 1 2.582 7 3 0 -14.4057192320325 1227770 CN1C(=CC=N1)C=NNC(=O)C2=CC(=NN2CC3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 3.247 7 3 0 -11.7689056366661 1227753 CC(=NNC(=O)C1=CC=C(O1)Br)C2=CC3=C(C=C2NC(=O)CCC(=O)O)OCO3 1 1.36 3 7 0 -19.0815898485058 1227745 CCN1C(=C(C(=N1)C)C=NNC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4)C 1 4.824 5 1 -5.66028293567683 1227736 CC1=C(SC=C1C(=O)NN=CC2=CC=CC=C2OC)C 1 2.96 2 2 -3.38750274778734 1227727 CCN1C(=C(C=N1)C=NNC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4)C 1 4.542 5 1 -3.93998364338605 1227726 CC1=C(N(C2=C1C=C(C=C2)C(=O)NN=CC3=CN(N=C3C)C)CC4=CC=CC=C4)C 1 4.33 5 1 -1.39182339686494 1227689 C1COCCN1C(=S)C2=CC=C(O2)C3=CC=C(C=C3)Br 1 4.308 1 2 0.29589967918585 1227683 CCOC1=C(C(=CC(=C1)Br)/C=C\2/C(=O)N=C(S2)NC3=CC=CC=C3)O 1 4.618 2 3 3.1736149709449 1227657 CC1=CC(=C(C=C1)C)N2C(=CC(=C2C)C=NNC(=O)C3=C(N=C4N3C=CC(=C4)C)C)C 1 4.76 5 1 -6.89881274231215 1227645 CN1CCN(CC1)C2=CC=C(O2)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Br 1 3.933 4 3 0 8.02564648616347 1227642 C1OC2=C(O1)C=C(C=C2)N3C(=O)/C(=C/C4=CC=CO4)/SC3=N 1 2.942 2 4 -4.10703437455891 1227638 CNC(=S)NN=CC1=CC=C(O1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 3.995 4 3 0 -3.87597744474685 1227637 CNC(=S)NN=CC1=CC=C(O1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.995 4 3 0 -6.04342658483925 1227624 CC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OC)C 1 3.206 3 3 -12.9359888672847 1227621 COC1=CC=CC(=C1OCC2=CC=CC=C2Cl)C=NN3C(=NN=N3)N 1 2.795 6 2 0 -3.76865258730518 1227605 CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2Cl 1 4.217 3 2 -11.2561759124837 1227531 C1=COC(=C1)/C=C/C=C\2/C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C(F)(F)F 1 4.28 2 4 -0.638770672981472 1227509 CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)/C=C\3/C(=O)N=C(S3)NC(=O)C 1 2.783 3 4 0 -11.2469087607392 1227448 C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)/C=C\3/C(=O)OC(=N3)C4=CC=CO4 1 4.855 1 4 2.73870760745451 1227420 CC(=O)NC1=NC(=S)SS1 1 2.299 2 1 -7.20224569700312 1227377 C1C2(CN3CN1CN(C2)C3)NCC4=C(C=C(C=C4)Cl)Cl 1 2.4 4 0 1.59334143293766 1227337 CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC4=C(C=C3)C(=O)OC4)C 1 3.018 5 3 0 -22.3105567200559 1227324 CC(C)(C)NC(=O)COC1=C(C=C(C=C1Br)CNC2=CC=C(C=C2)C(=O)O)OC 1 3.558 2 5 0 -16.2643356109127 1227321 COC1=CC=CC=C1CNC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.547 1 1 -1.66056411950925 1227317 CSC1=NN=NN1CCN2C(=NN=N2)SC 1 0.266 8 0 0 -12.4195175216494 1227314 CC1=CC=C(C=C1)C2=NNC3=NC(=CC(=O)N23)COC 1 1.479 4 2 0 -8.15857618303563 1227312 C1COCCN1C2=NC(=NC(=N2)N3C=C(C=N3)Br)N4CCOCC4 1 0.943 7 2 0 2.46664221516311 1227311 CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 2.689 2 6 0 1.16735652303982 1227256 CCC(=O)NC1=C(C=C(C=C1)SC#N)C 1 2.577 2 1 -5.88048603146243 1227190 C1=CC=C(C=C1)OC2=CC(=CC=C2)OCC(=O)NC3=CC=C(C=C3)SC(F)F 1 5.373 1 3 -3.71113205234927 1227187 CC1=CSC(=NN=C(C)C)N1CC2=CC=CO2 1 1.493 3 1 0 -7.06056374795963 1227150 C1CCC(=CC1)CCNC(=S)NC(=O)C2=CC(=CN=C2)Br 1 3.836 3 1 -12.8654077817145 1227129 CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=NC=C(C=C2)Br)C 1 4.238 3 2 -8.89091420441327 1227112 CC1=C(C(=O)N2C=CSC2=N1)Cl 1 0.763 2 1 0 -10.4158851825559 1227109 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3 1 5.016 3 2 -6.80597755950825 1227105 COC1=C(C=C(C=C1)Br)CNC2=CC3=C(C=C2)NC(=O)N3 1 2.817 3 2 -9.39292523373776 1227101 C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3F)C#N 1 2.883 4 2 -15.3378976482103 1227072 CC1=C(C2=NSN=C2C=C1)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 3.106 4 4 0 -8.97529680453176 1227055 CCSC1=C(N=C2C(=CC=CC2=C1C(=O)O)C)C3=CC=CC=C3 1 4.969 1 2 1.13488798354275 1227033 COC1=C(C=CC(=C1)NC(=O)CC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 2.812 2 4 -13.9428575648609 1226993 CN1C=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.428 3 3 0 -12.8420428032991 1226983 CC1(CC(=CC(=O)C1)NC2=CC3=C(C=C2)OCCO3)C 1 2.489 1 3 -16.9152592367138 1226928 C1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)N 1 5.218 2 3 -10.6357075434397 1226922 COC1=CC=CC=C1NC(=S)NC(=O)CCC2=CC=CC=C2 1 4.24 2 2 -12.7424617098778 1226912 CCOC1=CC=CC=C1NC(=S)NC(=O)C2CC2 1 3.192 2 2 -11.6441654502152 1226907 CCOC1=CC=CC=C1NC(=S)NC(=O)C2=CC=CO2 1 3.493 2 3 -11.243090487563 1226906 CCOC1=CC=CC=C1NC(=S)NC(=O)CCC2=CC=CC=C2 1 4.589 2 2 -13.5357124587578 1226902 COC1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC=CS2 1 4.171 2 2 -10.5460539781581 1226898 COC1=CC=CC=C1NC(=S)NC(=O)C2CC2 1 2.843 2 2 -10.8509147013352 1226895 C=CCN(CC=C)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CO2 1 3.512 3 4 0 -20.5216235064894 1226875 COC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(CC=C)CC=C 1 2.784 2 5 0 -20.9457361457133 1226833 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.259 2 6 0 -14.7337039701177 1226825 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC 1 3.291 2 4 -11.2538952467181 1226824 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.308 2 3 -11.9296080671316 1226822 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.261 2 3 -11.5662728884438 1226821 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3 1 3.143 2 4 -11.9432330711608 1226814 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 3.513 2 3 -10.1290520121087 1226813 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3 1 5.06 3 2 -11.1277749296252 1226809 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O 1 2.938 2 5 0 -12.8757103559145 1226797 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.826 2 3 -7.97106409762452 1226781 CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2CCCCC2 1 3.835 3 2 -13.8143456170705 1226778 CN(C1CCCCC1)C(=O)COC2=C(C=C(C=C2)Br)Cl 1 4.35 1 2 -4.8503484068573 1226777 CN(C1CCCCC1)C(=O)/C=C/C2=CC=C(C=C2)F 1 3.775 1 1 -3.20926474570226 1226773 CN(C1CCCCC1)C(=O)COC2=C(C=C(C=C2)Cl)Br 1 4.35 1 2 -3.27788590952377 1226772 CN(C1CCCCC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.62 1 1 -2.50367913314655 1226771 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3OC 1 3.291 2 4 -12.7756483911301 1226770 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC 1 3.127 2 5 0 -11.7202103774875 1226757 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3OC 1 3.127 2 5 0 -15.2139858874732 1226756 CN(C1CCCCC1)C(=S)NC(=O)C2=CC=C(C=C2)F 1 4.511 2 1 -8.44788748301461 1226755 CN(C1CCCCC1)C(=S)NC(=O)C2=CC=CC=C2Br 1 5.054 2 1 -8.15358217187822 1226753 CC1=CC=CC=C1C(=O)NC(=S)N(C)C2CCCCC2 1 4.792 2 1 -11.4617913737095 1226751 CC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2CCCCC2)Br 1 5.54 2 1 -7.94529941873549 1226749 CN(C1CCCCC1)C(=S)NC(=O)C2=CC=C(C=C2)Cl 1 4.97 2 1 -7.33776581789304 1226743 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 4.946 3 3 -15.0920242044694 1226740 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3 1 4.459 3 3 -16.180703234027 1226739 CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3 1 4.946 3 3 -15.0115675567362 1226733 CC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2CCCCC2 1 3.168 3 2 -13.9466366908575 1226721 COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2CC2 1 2.715 2 3 -14.4265581673195 1226717 C1CC(C1)C(=O)NC(=S)NC2=CC=CC=C2C#N 1 3.194 3 1 -6.17353786327638 1226715 CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)C2CCC2 1 4.175 3 1 -9.59461414011033 1226714 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCC3 1 2.39 4 3 0 -18.4057246627656 1226713 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCC3 1 2.893 3 3 -18.6784898928141 1226685 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.175 3 3 -17.8104221529356 1226683 CC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.01 3 4 0 -17.0396179233666 1226682 CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.01 3 4 0 -18.1314607125054 1226681 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC 1 1.672 3 4 0 -18.2233883620797 1226680 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.175 3 3 -17.6325712786776 1226678 CC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)Cl 1 2.674 3 4 0 -17.1601139201146 1226677 CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 3.161 3 4 0 -16.7629310547454 1226675 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CC3 1 1.934 4 3 0 -22.0894225557755 1226674 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3OC 1 1.672 3 4 0 -19.5767285094793 1226671 CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.496 3 4 0 -17.4687403920587 1226670 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3 1 2.151 3 3 -13.2194278013044 1226658 CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C)Br 1 3.639 3 1 -8.02745193981813 1226652 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C 1 2.921 3 4 0 -10.0774344698911 1226649 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C 1 4.597 3 1 1.4228990324713 1226644 C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.509 3 3 0 -12.179759588294 1226626 COC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NC3CCCCC3 1 3.664 2 3 -12.3048222901123 1226614 C1CCC(CC1)NC(=O)NC2=CC=CC=C2C(=O)N 1 1.806 3 2 0 -10.9931854185705 1226599 C1CCC(=CC1)CCNC(=O)CC2=CC=CC3=CC=CC=C32 1 4.308 1 1 -10.9744501806556 1226597 C1CC2=CC=CC=C2N(C1)C(=O)CC3=CC=CC4=CC=CC=C43 1 4.294 1 1 -7.93492392941997 1226578 CC1=C(C(=CC=C1)NC(=S)NC(=O)C2=CC=CO2)C 1 4.133 2 2 -5.91186571922166 1226556 CC1=CC(=C(C=C1)OCC(=O)NNC(=O)NC2=CC=C(C=C2)Cl)Br 1 3.514 3 3 -5.16934491294633 1226547 COC(=O)NN=CC1=CC=C(S1)[N+](=O)[O-] 1 1.634 3 4 0 -2.16340464197821 1226538 CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC=C(C=C2)Cl 1 4.459 3 0 -7.42031874768748 1226537 CCN(CC)C1=CC=C(C=C1)C=NNC(=S)NCC2=CC=CO2 1 3.856 4 1 -13.5088852100353 1226501 C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.706 2 4 0 -24.6520598413301 1226497 CN1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)Cl 1 3.069 3 1 -7.41991833897568 1226495 COC(=O)NN=CC1=CC=C(O1)[N+](=O)[O-] 1 1.076 3 5 0 -5.52858031422298 1226487 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)NN=CC4=CC=C(C=C4)F 1 4.417 3 2 -3.51397096277348 1226481 COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC5=C(C=C4)OCO5)OC 1 4.551 3 5 0 -9.01421129175649 1226470 CC1=C(SC=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)OC)OC 1 5.223 3 3 -6.77206373644443 1226467 CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(C=C(C=C3)OC)OC)C4=CC=CO4 1 4.159 3 4 0 -7.4043373937727 1226456 COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CN=CC=C4)OC 1 3.633 4 3 0 -7.27908571889303 1226442 CC1=CC=C(O1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4OC 1 4.34 3 3 -8.48400403926479 1226441 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=C(N(N=C4)C)C)C 1 4.584 5 1 -2.72815994530989 1226440 CC1=CC=C(S1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4OC 1 4.899 3 2 -6.38637104699634 1226432 CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=C(N(N=C4)C)C)C 1 4.584 5 1 -3.36099496687951 1226427 COC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=CS4 1 4.753 3 2 -9.62733313580113 1226425 COC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=COC=C4 1 3.904 3 3 -11.3058809587284 1226424 CCN1C(=C(C=N1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)C)C)C 1 4.933 5 1 -4.62469400570443 1226423 CCC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C34CC5CC(C3)CC(C5)C4 1 3.98 2 3 -6.61754402396649 1226387 CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C(C)C4=CN=CC=C4 1 3.745 4 1 -8.75641520125489 1226384 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)NN=CC4=CC(=CC=C4)F 1 4.417 3 2 -2.16689330039613 1226381 CCCC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CC=C(S3)CC 1 5.041 3 1 -5.46530381807844 1226365 CC1=C(C(=NC(=S)N1CC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)C(=O)C 1 4.412 4 1 -2.66672696193304 1226363 CC(C)(C(=O)N1CCN(CC1)C2=CC=CC=N2)OC3=CC=C(C=C3)Cl 1 3.557 3 2 0.752812437486094 1226342 CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)C)C 1 3.394 4 2 -10.5943715742989 1226341 COC1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br 1 4.731 4 2 -14.0604621717963 1226323 CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)NCC3=CC=CC=C3F 1 2.264 4 1 -14.7761364935575 1226311 CCN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=CC=CC=C2Br 1 4.469 4 1 -8.97097768418012 1226310 CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC 1 4.138 4 3 0 -24.9513443067593 1226301 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CSC(=C3C)C 1 4.139 2 1 -1.31268906731206 1226263 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)C3=CN(N=C3C)C 1 2.873 5 1 -5.83480978274299 1226259 CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=C(C=C2)Cl)NC(=O)C3=C(OC(=C3)C)C 1 4.226 2 5 0 -15.0078480471785 1226242 CCN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C)Br 1 3.372 3 3 -12.5573083188534 1226236 C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Cl 1 3.702 2 2 -7.78871356336009 1226157 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 3.233 5 1 -3.1920499019832 1226136 CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C 1 5.579 3 1 -2.30274769101439 1226102 C1=COC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=C(C=C3)O 1 3.777 1 3 -1.53063807579642 1226045 C1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)O)O 1 2.999 0 4 1.6220347553246 1226038 CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCOCC4 1 5.007 2 2 -2.42724944813369 1226032 COC1=C(C=C(C=C1)C=O)COC2=C(C=C(C=C2)F)F 1 3.551 0 3 -4.94280424753037 1226007 CC1=C(C(=NN1CC2=C(C=CC=C2Cl)Cl)C)N 1 3.073 3 0 -2.10112688923788 1226004 C1CC1C(=O)NC2=NC(=CC=C2)NC(=O)C3CC3 1 1.513 3 2 0 -1.913500677813 1226002 CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-] 1 3.684 4 3 0 -14.2125319686771 1226000 C1CCC(C1)OC2=CC=C(C=C2)C(=O)NC3=NOC=C3 1 2.993 2 3 -6.71990649594612 1225939 CCN1C=C(C(=N1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC)Br 1 4.146 4 3 0 -13.1084292935526 1225921 COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCCCC4)OC 1 4.717 2 3 -7.62686150151734 1225874 CC(C)(C)CC(=O)NC1=NNN=N1 1 0.901 5 1 0 -8.85869231495768 1225855 C1CC(C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.087 2 1 1.14972399043265 1225852 C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 4.124 2 1 -2.242202789635 1225847 CC(C)(C)C1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 3.887 2 3 -4.75615556050399 1225832 CC1=C(C(=NN1CC(=O)NC2=NC=C(C=C2)Cl)C)[N+](=O)[O-] 1 1.491 5 3 0 -6.98741474580511 1225830 CCOC1=CC=CC=C1CNC(=O)C2=C(C(=NN2C)C)[N+](=O)[O-] 1 2.072 4 4 0 -9.93854724759278 1225828 CN1C=CC(=N1)C(=O)NC2=C(N=CC=C2)Cl 1 1.416 4 1 0 -7.54528119396315 1225824 CCN1C=C(C=N1)C(=O)NCC2=CC=CC=C2Cl 1 2.284 3 1 -13.5200961032805 1225817 CC1=C(C(=NN1CC(=O)NC2=CC3=C(CCC3)C=C2)C)[N+](=O)[O-] 1 2.495 4 3 0 -12.1786210577 1225806 CC1=C(C(=NN1C)C(=O)N2CCCC3=CC=CC=C32)Cl 1 3.239 3 1 -6.17897095700437 1225805 COC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC4=CC=CC=C43 1 4.04 3 2 -3.90038340930126 1225794 CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=NN3C4=CC=CC=C4 1 3.453 6 1 0 -10.2406239037254 1225789 CCN1C=CC(=N1)C(=O)N2CCOCC2 1 0.358 3 2 0 -11.2824904252738 1225785 CC1=C(SC(=N1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C)C(=O)OC 1 2.587 3 4 0 -13.9255940963803 1225781 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=C(O3)CN4C=C(C=N4)[N+](=O)[O-] 1 2.052 5 6 0 -12.1593921305389 1225780 CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NCCS4 1 5.634 3 1 -10.1996941980972 1225767 CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NOC=C4 1 4.916 3 3 -6.90439987961152 1225765 CC1=CC=CC=C1OCC(=O)NC2=NC(=C(S2)C(=O)N(C)C)C 1 1.921 3 3 0 -10.4794725319715 1225761 CC(=NNC(=O)C1CC1)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl 1 3.206 3 2 -8.60282283050006 1225758 CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OCO3)C 1 1.501 4 5 0 -6.70435816920249 1225752 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=NN3)[N+](=O)[O-] 1 1.734 5 5 0 -20.6319983195291 1225748 C1=CC=C2C(=C1)C=CC=C2NC(=O)NNC(=O)C3=CN=CC=C3 1 1.537 4 2 0 -9.48069254771467 1225746 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(S3)Br 1 2.904 1 3 -5.3225412220321 1225729 CCS(=O)(=O)NC1=CC2=C(C=C1)OCO2 1 0.858 1 4 0 -5.86754823592163 1225718 COC1=CC(=C(C=C1)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(=O)N 1 3.717 3 4 0 -10.1137183923695 1225717 CC1=C(SC(=N1)NC(=O)C2=CSC3=CC=CC=C32)C 1 2.901 2 1 -4.23123051816005 1225713 CC1=CC=C(S1)C(=O)NC2=NC(=CS2)C 1 1.993 2 1 0 -4.71302993666597 1225706 CC1=C(C=NN1C)C(=O)N2CCC3=CC=CC=C32 1 1.69 3 1 0 -9.65096886829706 1225702 CC1=CC=CC(=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C3=NC=CN=C3 1 3.114 3 3 -6.8189497869619 1225696 CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)C3CC3)C 1 2.855 3 1 -7.42220589187944 1225695 CC1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C32 1 3.289 2 1 -8.16874461666997 1225694 C1CCC2=C(C1)C(=CS2)C(=O)NC3=NOC=C3 1 2.653 2 2 -6.24101484070096 1225690 CC1=C(SC(=N1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C)C(=O)N(C)C 1 2.146 4 3 0 -14.5564733495423 1225689 C1CCC(C1)NC(=O)C2=CC(=CC=C2)CN3C=C(C=N3)[N+](=O)[O-] 1 2.568 4 3 0 -14.364529259403 1225683 C1CSCCN1C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.913 2 1 -3.10316880142203 1225673 CC1=CC=C(S1)C(=O)NC2=C(SC=C2)C(=O)OC 1 2.522 1 3 -7.7624930305794 1225672 CC1=CC(=NO1)NC(=O)CN2C=C(C=N2)[N+](=O)[O-] 1 0.149 5 4 0 -18.9667324337526 1225626 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=C(C=NN3)[N+](=O)[O-] 1 0.15 5 5 0 -8.06393970384237 1225609 CC1=CC=C(S1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C 1 2.865 2 3 -7.43522341365756 1225605 CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4 1 4.633 2 1 -5.93312037660937 1225578 CCN1C=C(C(=N1)C)C=NNS(=O)(=O)C2=CC=C(C=C2)OC 1 1.651 4 3 0 -2.44364502193833 1225567 CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)C(=NNC(=O)C3=C(C(=NN3C)C)Br)C 1 2.67 5 3 0 -9.37194144358872 1225563 CCOC1=C(C(=CC(=C1)C=NO)Br)OCC 1 3.069 1 3 -0.81617132920755 1225551 CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)N3CCCCC3 1 2.13 5 4 0 -12.241656556495 1225540 CC(=NNC(=O)C1=CC=CC=C1Cl)C2=CC=C(C=C2)NC(=O)C 1 2.448 3 2 -10.7640101685426 1225528 C1=CC(=CC=C1CN2C=C(C=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl 1 3.406 4 3 0 -8.54845347407788 1225522 CCN1C=C(C(=N1)C)CNC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C 1 3.778 4 2 -19.0421426694479 1225518 CCN1C(=C(C=N1)Br)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 2.753 4 3 0 -6.79585376032912 1225514 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3[N+](=O)[O-] 1 3.289 2 6 0 -11.9488966953994 1225511 CC1=C(C=CO1)C(=O)NN=C(C)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3 1 1.547 4 3 0 -9.93469396995651 1225502 C1=CC=C(C(=C1)OCC2=CC=C(O2)C(=O)NC3=CC=CC=N3)Cl 1 3.707 2 3 -4.74051869277737 1225491 CCN1C(=C(C=N1)C=NNC(=O)COC2=CC=CC=C2)C 1 1.662 4 2 0 -6.23996929941931 1225486 CCN1C=C(C=N1)C(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-] 1 1.994 4 3 0 -12.0300498563553 1225485 CC(=NNC(=O)C1=NN(C=C1Br)C)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3 1 2.124 6 2 0 -12.234208753435 1225466 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=NC=C(C=C3)Cl)[N+](=O)[O-])Cl 1 3.617 5 4 0 -4.76236128083086 1225463 C1=CC(=CC(=C1)Br)C=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br 1 3.886 4 2 -4.04809010084926 1225462 CC1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)OC)OC)C#N)C3=CC=CC=C3 1 3.911 2 3 -14.8814859281606 1225458 C1=CC(=C(C(=C1)Cl)CN2C=C(C=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl 1 4.071 4 3 0 -11.6990529677258 1225449 CC1=C(C=CC(=C1OC)C=NNC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)OC 1 4.025 5 6 0 -4.51500184869664 1225447 CC1=CC=CC=C1NC(=O)COC2=C(C=C(C(=C2)Br)C=NNC(=O)N)OC 1 2.647 4 4 0 -15.7092581955193 1225444 CCN1C=C(C=N1)C(=O)NC2=CC(=C(C=C2)F)F 1 2.024 3 1 -8.43495943869828 1225439 CC1=CSC(=N1)NC(=S)NC2=CC(=CC=C2)Cl 1 3.838 3 0 -2.53379410612697 1225436 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CS2)C)[N+](=O)[O-] 1 3.434 2 3 -8.90724181803886 1225435 CC1=CC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)OC)[N+](=O)[O-] 1 2.887 3 4 0 -7.21274230027359 1225419 CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-] 1 3.037 3 6 0 -10.3389649122847 1225418 C1CCC(CC1)NC(=O)NNC(=O)C2=CC=C(S2)Br 1 2.582 3 2 -9.02760347491004 1225417 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl)C 1 3.958 3 2 -7.5112421560301 1225415 CC1=CC(=NN1CC(=O)NCC2=CC=CC=C2F)C(F)F 1 2.356 3 1 -17.8302888986039 1225407 CN1C=C(C=N1)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.593 3 1 -4.07637446133324 1225392 CCN1C(=C(C=N1)Br)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C 1 3.033 4 3 0 -8.32639792893421 1225373 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NN=CC3=CC=NC=C3)C)Cl 1 2.331 5 2 0 -6.8096719750086 1225367 C1=CC(=CC(=C1)F)C=NNC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br 1 3.777 5 4 0 -4.75535359162763 1225366 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 2.557 4 6 0 -15.2173903916206 1225356 CC1=CC=CC=C1NC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 2.701 4 4 0 -11.3548585441433 1225355 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=CC=CS3 1 3.229 3 1 -8.42999695732945 1225349 CC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2)C)[N+](=O)[O-] 1 1.645 4 3 0 -8.4557143833257 1225338 CC1=C(C(=C(S1)NC(=O)C2CCCCC2)C#N)C3=CC=CC=C3 1 4.406 2 1 -5.61929153341905 1225332 CN1C=C(C=N1)C(=O)NCC2=CC=CC=C2F 1 1.477 3 1 0 -10.0190989491499 1225310 CC1=NN(C=C1CNC(=O)C2=CC=CC=C2Br)C 1 2.302 3 1 -6.89676680332565 1225303 CC1=C(SC=C1)C(=O)NN=CC2=CC=C(O2)COC3=CC=C(C=C3)OC 1 4.146 2 4 -9.25051088928355 1225299 CC1=CC=CC(=C1)C(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C#N 1 4.43 2 1 -10.0183555251548 1225284 CC1=C(C=NN1C)C(=O)NC2=CC=C(C=C2)Br 1 2.158 3 1 -4.07848282733657 1225276 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br 1 2.329 4 4 0 -10.2150181537286 1225264 CC1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N)C3=CC=C(C=C3)C(C)(C)C 1 4.362 3 4 0 -6.45572041180435 1225261 CC1=C(SC=C1)C(=O)NCC2=CC=C(C=C2)Cl 1 3.725 1 1 -6.9993446684087 1225247 CC1=CC(=C(O1)C)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC 1 1.72 1 6 0 -11.4347171121848 1225246 CC1=CC=CC=C1NC(=O)COC2=C(C=C(C(=C2)Br)C=NO)OC 1 3.494 2 4 -7.99842357011655 1225240 CC1=CC(=CC=C1)NC(=O)NC2=C(C=C(C=C2)C)Br 1 4.243 2 1 -3.70094241866068 1225174 CC1=CC(=CC=C1)OCC(=O)NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.016 3 5 0 -11.9922899309171 1225173 C1CCC(=CC1)CCNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.895 1 1 -14.4661004577549 1225154 C=CCC(CC=C)(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2 1 4.382 1 1 -11.6776590702903 1225107 C1=CC(=C(C=C1Cl)Cl)/C=C\2/C(=O)N=C(S2)N 1 3.325 2 1 2.65534289444773 1225103 C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CN=CC=C3 1 1.318 3 3 0 -8.44763155000682 1225055 CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 1.747 3 4 0 -15.22115297171 1224972 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C 1 -4.7e-002 7 2 0 -30.5079277815329 1224967 C1=CC(=CC=C1CC2=CC=NC=C2)NS(=O)(=O)C3=CC=C(S3)Br 1 3.496 2 2 -0.780850623916146 1224965 CC1=CN=C(C=C1)NC(=O)C2=C(C=CC(=C2)SC)Cl 1 3.695 2 1 -2.92504073474899 1224964 C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)Br 1 3.278 3 2 -9.17889900262201 1224956 COC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3OC 1 4.044 3 3 -10.1671333598646 1224953 CC(=NNC(=O)C1CCCCC1)CC2=CC=CC=C2 1 3.151 2 1 -4.92860099321715 1224932 CN1C=C(C(=N1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=N3)Br 1 3.292 6 1 0 -7.39679285693093 1224930 C=CCN1C(=NN=C1SCC(=O)NN=CC2=CC=CC=C2)COC3=CC=C(C=C3)Cl 1 4.23 5 2 0 -16.7611118092786 1224929 CC1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3 1 4.051 5 2 0 -18.8994006947499 1224920 COC1=CC=CC=C1C=NNC(=O)CSC2=NN=C(N2CC=C)CN3C4=CC=CC=C4N=N3 1 3.376 8 2 0 -24.2374768932487 1224907 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=NN(C=C3)CC4=CC=C(C=C4)Cl 1 3.777 4 3 0 -11.0135547027118 1224895 CC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] 1 3.089 3 3 -8.42496312763499 1224851 CC1=C(SC=C1)/C=C\2/C(=O)N=C(S2)N 1 2.436 2 1 -2.8594993823477 1224844 C1=CC=C(C(=C1)C(=O)NC2=NC=NN2)Br 1 1.664 4 1 0 -6.61977561941057 1224795 C1=CC2=C(C(=O)N=C2C=C1)NN=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.027 4 4 0 -2.61928459551342 1224788 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F 1 4.512 2 3 2.90778920936603 1224770 C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)C4=CC5=CC=CC=C5OC4=O 1 2.247 2 6 0 -10.7475100804075 1224769 C1COCCN1S(=O)(=O)C2=CC=C(C3=NSN=C23)Br 1 1.511 3 3 0 -12.2861497390393 1224762 CN1C=C(C(=N1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 3.195 5 3 0 -0.222447420163166 1224746 COC1=CC=CC(=C1)C2=NN=C(O2)C3=CC=CO3 1 2.433 2 3 5.65490864572974 1224709 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC=C(S3)[N+](=O)[O-] 1 3.202 4 4 0 -3.86551632424405 1224698 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)N2)OCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.624 3 5 0 -14.4871558635177 1224695 COC1=CC(=CC(=C1OC)OC)C=NN2C(=NN=N2)NC3=CC=CC=C3 1 2.191 6 3 0 -10.9511583575766 1224643 CN1C=C(C=N1)CNC(=O)/C=C/C2=CC=C(C=C2)Cl 1 2.403 3 1 -4.28803415540955 1224613 CCN1C(=CC=N1)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.233 3 1 -8.05670581307628 1224602 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Cl 1 4.42 3 1 -9.02731334115964 1224588 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-])C 1 3.714 4 3 0 -14.8545713921323 1224578 CC1=CC(=NN1CC(=O)NC2CCCCCC2)C(F)F 1 2.881 3 1 -13.2018865071081 1224573 CC1=C(C(=NN1C)C)CNC(=O)/C=C/C2=CC=CC=C2F 1 2.372 3 1 -5.022569501703 1224550 CC1=CC(=NO1)NC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)Br 1 4.068 2 3 -12.7903885552127 1224543 CC1=CC(=NN1CC(=O)NCC2=C(C=C(C=C2)Cl)Cl)C(F)F 1 3.479 3 1 -15.0704879442269 1224540 CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)COC3=CC=CC=C3 1 3.169 3 2 -10.4136923520545 1224535 COC(=O)C1=CC=C(O1)CSC2=NC(=C3CCCC3=C2C#N)C(F)(F)F 1 4.979 2 3 -12.2231525941435 1224532 CCOC1=CC=CC=C1C(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)F 1 3.385 3 2 -9.7111819200635 1224527 CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)C3=C(N=CC=C3)Cl 1 3.204 4 1 -3.98706976495895 1224525 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(S2)C 1 3.206 1 1 -6.98006093527149 1224522 CCN1C=C(C=N1)/C=C/C(=O)NC2=C(C=C(C=C2)C)Br 1 3.315 3 1 -10.3085810698835 1224519 CCC1=CC(=CC=C1)NC(=O)C2=CC=C(O2)CN3C(=CC(=N3)C)C 1 3.691 3 2 -9.25034619786143 1224504 CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)NC3=CC=CC=C3)C 1 3.283 5 3 0 -2.25786711978298 1224430 COC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC=C2F 1 3.79 2 3 -7.94425306641975 1224411 CCC1=CC=C(C=C1)NC(=S)NC(=O)CC(C)C 1 4.419 2 1 -10.1441032733715 1224409 CC1=NC(=CC=C1)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.966 3 1 -10.4505340479411 1224408 CC(=NNC(=O)C1=CC=NC=C1)CC2=CC=C(C=C2)OC 1 1.522 3 2 0 -7.74206330477482 1224407 CC(=O)N1C(OC(=N1)C2=CC=NC=C2)(CC3=CC=CC=C3)CC4=CC=CC=C4 1 3.458 3 2 -4.01227300076058 1224400 CC(C)CC(=O)NC(=S)NC1=CC=CC=N1 1 2.865 3 1 -8.7280227742964 1224392 CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Cl 1 4.217 3 2 -10.5311322224435 1224379 CC(C)CCC1(C(=O)NC(=O)NC1=O)CCC2=CC=NC=C2 1 2.246 3 3 -6.26551985066356 1224313 CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)C2=NC=CN=C2 1 1.068 4 3 0 -9.33317867892966 1224278 CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C(C=C(C=C13)Cl)O 1 4.882 1 1 5.58617786521024 1224274 C1=CC=C2C(=C1)N3C(=NN=C3Br)C4=C(S2)C=CC(=C4)Cl 1 4.839 3 0 3.73956998794656 1224224 C1=CC=C(C=C1)NC(=S)NC2=NC3=CC=CC=C3N2CCOC4=CC=CC=C4 1 5.789 4 1 -8.09418447820967 1224219 CC1=CC=C(C=C1)C(=O)/C=C/NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C 1 3.015 4 3 0 -8.26898641531462 1224211 C1CCC2(CC1)OC(=O)C(=CNC3=CC=C(C=C3)S(=O)(=O)N)C(=O)O2 1 1.323 2 6 0 -10.1968535306092 1224208 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=CC=CS3 1 2.226 4 3 0 -10.9925508064505 1224205 CC1=CC=C(C=C1)C(=O)/C=C/NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 3.364 3 4 0 -5.52218909942284 1224180 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC2=C(C3=C(S2)C(NC(C3)(C)C)(C)C)C#N 1 4.864 3 2 -23.3778516882187 1224166 CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C4=CC=CC=C4C(=C2)OC)C(=O)O 1 4.556 1 4 0.526991036442934 1224165 CC1=C(C2=C(N1C3=CC=CC=C3OC)C4=CC=CC=C4C(=C2)OC)C(=O)O 1 4.556 1 4 -2.2183495864309 1224085 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=CC=CC=N3 1 4.094 4 2 0.491192352305711 1224046 COCC(=O)NC1=CC=CC=C1C#N 1 0.565 2 2 0 -8.13382832524577 1224045 COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)C3=CC=C(C=C3)OC)O 1 4.051 2 5 0 -12.593937607292 1224027 CC1=CC=C(C=C1)C(=O)OC2=C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC 1 4.742 0 5 -2.29016065756443 1224017 CCOC(=O)COC1=C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC 1 2.863 0 6 -5.27968562520138 1224012 CC(C)CC1=CC=C(C=C1)/C=C/C(=O)NC2CC2 1 3.645 1 1 -3.64096755490346 1224004 CC1=C(C=CO1)C(=O)NC2=NN=C(S2)C3=CC=CS3 1 2.216 3 2 -10.229331489778 1223955 CC(=NNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC(=CC=C2)NC(=O)C3=CC=NC=C3 1 2.665 4 3 0 -7.62632683000474 1223950 CN1C=C(C=N1)C(=O)NC2=CC=CC(=C2)C(=O)OC 1 1.12 3 3 0 -9.33089036366273 1223949 CC(=NNC(=O)C1=C(C=NN1C)Cl)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3 1 1.903 6 2 0 -11.1711578344396 1223946 CC(=NNC(=O)C1=NN(C=C1)C)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F 1 2.732 5 2 0 -12.5855072800194 1223922 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NN=C(C)C3=CC(=CC=C3)NC(=O)C(C)C 1 4.124 4 3 0 -18.2724302203338 1223907 CC1=CC(=NO1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC(C)C 1 5.062 3 3 -14.9259462019823 1223878 COC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC5=CC=CC=C5C4 1 5.019 2 2 -12.2150830938275 1223866 CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NOC=C4 1 4.073 3 3 -4.53383059007076 1223865 CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCCC3)[N+](=O)[O-] 1 1.918 5 4 0 -11.6113082121844 1223860 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl 1 3.819 3 3 -9.22142670098552 1223853 CC1=CC=C(C=C1)NC(=O)NNC(=O)C2CCN(CC2)CC3=C(C=C(C=C3)F)Cl 1 3.681 4 2 1.00570192187562 1223840 CC1=C(C=CC(=C1)OC)NC(=O)C2=C(C=NN2C)Cl 1 2.69 3 2 -6.87410475840326 1223833 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F 1 3.854 4 4 0 -15.0553249428306 1223828 CC1=C(C(=NN1C)C)CN(C)C(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 3.165 3 2 -4.9926411139251 1223811 C1=CN(N=C1)CC2=CC=C(O2)C(=O)NN=CC3=CC=C(S3)Cl 1 2.802 4 2 -3.93157714032141 1223803 CC1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)C3=CC=C(S3)C 1 4.052 3 1 1.90394434243958 1223798 CCN1C(=C(C=N1)Cl)C(=O)NC2=CC3=C(CCC3)C=C2 1 3.626 3 1 -8.0730115143458 1223790 CCOC1=CC=CC(=C1)C(=O)NC2=CN(N=C2)CC3=CC=CC=C3 1 3.18 3 2 -11.2481643376893 1223781 CC1=CC(=C(O1)C)C(=O)NCC2=CC=CS2 1 1.756 1 2 0 -12.2622637956554 1223772 C1CN(CCN1C(=O)COC2=CC=CC=C2Cl)C(=O)C3=CC=CO3 1 2.02 2 4 -7.58284336489848 1223765 CC1=NC(=CC=C1)NC(=O)C2=C(OC=C2)C 1 1.535 2 2 0 -2.50318762551194 1223727 C1CN(CCN1C2=CC=CC=N2)C(=O)CC3=CC=C(C=C3)Br 1 3.045 3 1 -4.26612933807543 1223722 C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CSC4=CC=CC=C43 1 5.063 2 1 1.18545146815832 1223721 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=C(C=CC=C3F)F 1 4.226 2 1 2.37127269752237 1223663 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)N 1 3.139 4 2 -15.8179285806312 1223659 COCC1=CC(=O)N=C(N1)SC2=C(C3=C(C=C(C=C3)Cl)NC2=O)C4=CC=CC=C4 1 3.334 3 3 -7.34819844024416 1223643 CN1C=C(C(=N1)C(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)F)[N+](=O)[O-] 1 2.026 6 3 0 -9.93452528573578 1223629 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C 1 2.846 6 3 0 -11.3408978496501 1223584 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br 1 3.855 4 1 -4.06577438991947 1223576 CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)C3=NN(C=C3Cl)C 1 3.224 5 1 -5.80853477917245 1223574 CN1C=C(C(=N1)C(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)F)Cl 1 2.796 5 1 -6.97038777205085 1223572 CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)C3=NN(C=C3Cl)C)C 1 3.505 5 1 -6.7087083989715 1223565 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NN(C=C3Cl)C 1 3.616 5 1 -8.37676033596516 1223551 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Cl 1 3.771 4 1 -4.92495767393559 1223459 CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C 1 3.304 4 1 -10.2573998407463 1223451 C1=CC(=CN=C1)NC(=O)C2=C(N=CC=C2)Cl 1 1.187 3 1 0 -2.2620389778936 1223420 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C=N2)[N+](=O)[O-] 1 0.27 5 5 0 -15.942773905984 1223368 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O 1 2.397 2 5 0 -22.13825412883 1223366 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O 1 3.77 2 5 0 -15.0513930124983 1223348 C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 2.565 3 4 0 -14.9516957304109 1223278 CC1=C(C2=C(N1CCC3=CC(=C(C=C3)OC)OC)C=CC(=C2)OC(=O)C4=CC=CO4)C(=O)C 1 4.913 1 6 0 -12.5067948436133 1223268 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=O)NC3=CC=CC=C32)OC 1 2.033 3 4 0 -14.3319671362027 1223235 COC1=C(C=C(C=C1)C(=O)CC2=CC(=C(C=C2C(=O)C3=CC=CC=C3F)OC)OC)OC 1 4.813 0 6 -8.7897170414928 1223218 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)/C=C/C(=O)O 1 4.13 2 4 9.57447524912683 1223185 C1C/C(=C\C2=CC=C(C=C2)O)/C(=O)C3=C1C=CC(=C3)[N+](=O)[O-] 1 3.915 1 4 3.54916052590484 1223159 C1CCC(CC1)NC(=O)C2=CC(=CC=C2)COCC(F)(F)F 1 3.707 1 2 -9.64024452882603 1223133 C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=O)NCC3=CC=CO3)Cl 1 4.034 1 3 -9.81882182074246 1223128 C1=CC=C(C(=C1)OCC2=CC=C(O2)C(=O)NC3=CN=CC=C3)Br 1 3.252 2 3 -5.02882014128335 1223091 C1CCCC(CC1)NC(=O)C2=CC(=CC=C2)COCC(F)(F)F 1 4.164 1 2 -9.64024452882603 1223084 CCN1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl 1 4.095 3 1 -2.3552471505171 1223083 CCOC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)N3CCCCCC3 1 4.516 1 3 -5.76275950977083 1223053 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NCC4=CC=CC=N4 1 4.483 3 1 -8.00842980796147 1223044 CC1=NC(=CC=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC4=CC=CC=C43 1 4.234 2 3 -4.1623665120438 1223033 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCCC4)OC 1 4.54 2 3 -9.87719142011043 1223030 CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=NC=C(C=C3)Cl 1 4.04 2 4 -3.79396445253882 1223027 CC1(CC2=C(C(C3=C(N2C4=CC=C(C=C4)OC)CC(CC3=O)(C)C)C5=CN(N=C5)C)C(=O)C1)C 1 4.104 3 3 -16.8447471987408 1223011 CCOC(=O)CN1C=C(C(=N1)OC)[N+](=O)[O-] 1 0.952 3 5 0 -9.01879525856037 1222996 C1CCN(CC1)C(=O)C2=CC=C(C=C2)COC3=CC=CC=C3Br 1 4.476 1 2 -4.71899625767835 1222926 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4 1 3.396 3 4 0 -14.5537950631681 1222903 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F 1 4 2 3 0.295275117316392 1222868 CC1=C(SC(=C1C(=O)OC)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C 1 4.148 1 4 -13.9274565390305 1222863 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC=C(O3)Br 1 3.042 2 2 -1.78682123722626 1222859 CN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N 1 2.321 4 2 -14.4798572419496 1222853 CN1C(=C(C=N1)Br)C(=O)NN=CC2=CC(=CC=C2)OC3CSC3 1 2.817 4 2 -6.70528911788957 1222851 CN1C(=C(C=N1)Cl)C(=O)NN=CC2=CC(=CC=C2)OC3CSC3 1 2.733 4 2 -6.30202505147833 1222846 CN1C=C(C(=N1)C(=O)NN=CC2=CC(=CC=C2)OC3CSC3)Br 1 2.954 4 2 -7.3650759704738 1222836 CC1=C(SC(=N1)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)C(=O)N(C)C 1 2.034 3 4 0 -13.4619473117304 1222832 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC(=O)N(C(=O)N2C)C 1 1.863 3 6 0 -18.6020668977054 1222824 CN1C=C(C(=N1)C(=O)NN=CC2=CC3=CC=CC=C3N=C2Cl)Br 1 3.57 5 1 -1.32719213320082 1222812 CN1C=C(C(=N1)C(=O)NN=CC2=CC(=C(C=C2)OC)CN3CCOCC3)Cl 1 2.171 5 3 0 -9.51728896258904 1222721 C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 4.733 2 4 -6.30148688447502 1222720 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OC 1 4.321 2 4 -12.3026024250253 1222713 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5 1 2.767 4 5 0 -13.0892797179967 1222707 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(OC=C3)C 1 1.699 3 5 0 -9.23439109629656 1222695 COC1=CC=CC(=C1OC)CN2CCN(CC2)CC3=CC(=CC(=C3)OC)OC 1 3.378 2 4 -2.21731034319615e-002 1222691 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NOC(=C4)C)C 1 4.859 3 2 -11.6442480036925 1222688 C1=CC=NC(=C1)CNC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br 1 2.141 4 2 -9.79305403173828 1222676 C1=CC(=CC=C1OCC2=CC=C(O2)C(=O)N3C=C(C=N3)Br)F 1 3.922 2 3 -0.511424455019891 1222584 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(O3)COC4=CC5=CC=CC=C5C=C4 1 3.656 3 4 0 -13.3304433482437 1222490 CN1CCN(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl 1 3.255 4 1 -1.91492516962932 1222432 COC1=CC=C(C=C1)CCNC(=O)C2=NC(=CC=C2)C(=O)NCCC3=CC=C(C=C3)OC 1 3.729 3 4 0 -10.5326729194371 1222419 CC1=C(C(=NN1C(=O)C2=C(C=NN2C)[N+](=O)[O-])C)Cl 1 1.856 5 3 0 -5.79565433869725 1222403 CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NCC(C)C)C)Br 1 3.639 3 1 -12.4030972678162 1222333 CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NOC(=C4)C)C 1 4.859 3 2 -12.2770830252621 1222331 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 3.568 3 4 0 -5.94898638044103 1222301 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)COC3=C(C=C(C=C3)CC=C)OC 1 3.766 2 5 0 -15.0728160708945 1222162 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3 1 4.102 4 6 0 -11.5708119859737 1222154 CN1C(=C(C=N1)Br)C(=O)NC2=NC=C(C=C2)Br 1 2.441 4 1 -6.91706193169957 1222099 CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N 1 2.604 4 1 -23.5758966652086 1222105 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)[N+](=O)[O-])Cl 1 4.116 5 3 0 -5.73911307010319 1222070 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(O4)COC5=CC=C(C=C5)Cl 1 4.257 2 5 0 -2.00364348318886 1222047 CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4C)C#N)C 1 5.881 3 3 -17.8248447382326 1222039 CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN4CCN(CC4)C 1 3.785 4 1 -3.7278081314854 1222015 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.447 3 5 0 -5.25177200212251 1221997 C1CCC(C1)C(=O)NC2=NN=CS2 1 1.094 3 1 0 -3.7135747800491 1221964 CN1CCN(CC1)NC(=O)C2=CC=C(C=C2)F 1 0.914 3 1 0 -2.86287796584599 1221931 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=N4 1 3.677 3 2 -3.82499141166753 1221918 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=CC4=C(C=C3)OCCO4 1 4.275 2 4 -17.0132288680636 1221915 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)OC 1 3.42 3 5 0 -13.4069165183295 1221905 CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 3.644 2 5 0 -15.0356562583113 1221856 COC1=C(C(=CC(=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)F)Cl)O 1 2.863 2 4 -0.353857687483144 1221848 CC(=C1C(=O)CC(CC1=O)(C)C)NCCN2CCN(CC2)C(=C3C(=O)C4=CC=CC=C4C3=O)C 1 2.231 3 4 0 -9.83835908447724 1221829 CN1C(=C(C=N1)Br)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 2.955 4 3 0 -4.61100085551659 1221824 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=CC=C2OC)OC)C#N)C 1 3.136 3 4 0 -21.9453105428107 1221794 CC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3)C 1 4.207 2 3 -12.289377468727 1221771 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 2.125 3 4 0 -13.3247497648086 1221759 C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)Cl)Cl 1 4.434 4 3 0 -0.968944974798616 1221752 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)OC 1 4.272 2 3 -4.58776394480526 1221732 CC1=C(N=CC=C1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 3.749 2 2 -4.75084686716993 1221726 CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)C3=CC=CS3 1 3.803 3 1 -6.18036514504093 1221653 COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=CS3)OC 1 3.065 2 3 0.727272048071454 1221632 CC1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C(=O)O2 1 2.187 1 3 -9.9588614982124 1221629 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=CC=CC=C5S4 1 5.356 3 2 -1.22964624354976 1221509 CC(=O)NC1=CC=CC(=C1)N/C=C(\C=O)/C2=NC3=CC=CC=C3O2 1 1.822 3 3 0 -1.86806534322476 1221490 CC(C)C1=CC=C(C=C1)/C=C/C(=O)NCCC2=CCCCC2 1 5.027 1 1 -9.01141049603442 1221201 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4C=NC5=CC=CC=C54 1 5.116 3 2 -4.59037669413894 1221192 CN1CCN(CC1)NC(=O)C2=CC=CC=C2F 1 0.914 3 1 0 -4.92344896517887 1221180 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 4.382 1 5 -14.5102194245528 1221142 CN1C(=C(C=N1)Cl)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC 1 1.931 3 5 0 -8.94956218531976 1221121 CN1C(=C(C=N1)Cl)C(=O)N2CCCC3=CC=CC=C32 1 2.957 3 1 -8.26360086254796 1221097 CC1=C(C(=NN1)C)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)Br 1 2.967 3 2 0.253822262358441 1221084 C1=CSC(=C1)/C=C/C=C\2/C(=O)N=C(S2)N 1 2.418 2 1 0.452324863510635 1220992 CN1C=C(C(=N1)C(=O)NC2CCCC2)[N+](=O)[O-] 1 1.412 4 3 0 -8.24660609312224 1220972 CN1C(=C(C=N1)Cl)C(=O)NCC2=CC=CO2 1 1.409 3 2 0 -8.93860351408154 1220896 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C#N)C 1 3.549 4 4 0 -23.6244135657774 1220867 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=C(C=C5)Br)C(F)(F)F 1 4.475 6 2 0 -20.7725041560935 1220861 COC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3)OC 1 3.072 4 5 0 -7.85236900704022 1220849 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=C(C=C(C=C5)OC)OC 1 3.808 4 4 0 -17.9971246757728 1220811 CN1C(=CC=N1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.02 4 1 -6.22553477879639 1220736 CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)C 1 4.832 3 2 -6.55551961589437 1220714 CCN(C1=CC=CC=C1)C(=O)C2=CC=NN2C 1 2.11 3 1 -12.1872574527823 1220672 CC1=C(C(=NN1CC(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-])Br 1 2.739 4 5 0 -19.5875452324621 1220660 CC1=CC(=NO1)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=C(C=C4)Br 1 4.092 5 2 0 -18.6509011286693 1220621 C1COCCN1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl 1 3.901 3 2 -6.16368174054751 1220591 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NC=CS2 1 0.447 5 3 0 -8.3961995616643 1220561 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5 1 4.897 4 3 0 -9.62898186047316 1220549 C1COCCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl 1 3.729 2 2 -4.82537020720077 1220436 COC1=CC=CC(=C1)C(=O)N2C3=CC4=C(C=C3N=C2SC)OCCO4 1 3.852 2 4 -3.59863470070233 1220430 C1CCN(CC1)C(=O)C2=CC3=C(C=C2Br)OCCCO3 1 2.757 1 3 -5.83756442001422 1220427 CCN(C1=NN=C(S1)CSC2=NC3=CC=CC=C3S2)C(=O)C 1 2.923 4 1 -7.45988623384468 1220338 C1CN(CCN1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)Br 1 4 2 1 -0.59353816682154 1220334 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(ON=C3C4=CC=CC=C4)C)C 1 4.392 3 2 -1.1834989341071 1220321 COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCOCC4)OC 1 2.964 3 4 0 -12.2721792164411 1220314 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=C(C=C(C=C2)OC)OC)C 1 2.357 2 5 0 -11.3151848536855 1220307 C1=CC(=CC=C1C(=O)NNC(=O)C2=C(C=C(C=C2)F)F)N3C=NN=N3 1 1.169 6 2 0 -16.0295235180236 1220296 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(C=C4)OCCO5 1 5.019 2 3 -8.58911443598483 1220288 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=N4 1 4.305 3 1 -9.83042849854829 1220270 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(SC=C2)C(=O)OC 1 2.374 1 6 0 -12.3708576483932 1220269 C1CN(CCN1C2=CC=CC=C2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35 1 4.133 2 2 -3.18681975065175 1220197 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC(CC4)C 1 4.878 2 2 -8.94737141276858 1220156 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 4.327 4 2 -12.4306221389335 1220150 CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=N4)C)C 1 5.004 3 1 -5.39839571801992 1220139 CC1=C(SC(=C1C#N)NC(=O)/C=C/C2=CC=C(C=C2)C(C)C)C 1 4.573 2 1 -10.402754029684 1220122 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 3.568 3 4 0 -6.28158272168639 1220107 CN1C=C(C(=N1)C(=O)NC2=NC=CS2)[N+](=O)[O-] 1 0.584 5 3 0 -8.44352177942177 1220098 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(SC=C4)C(=O)OC 1 5.042 2 3 -5.44261190961489 1220093 C1COCCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl 1 3.729 2 2 -6.17123671795819 1220078 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCCC3=CC=C(C=C3)OC 1 4.137 2 3 -10.7488925150412 1220063 C1=CC(=C(C=C1Cl)Cl)C2=NN=C(O2)C3=CC=C(O3)Br 1 4.346 2 2 3.41488717341779 1220055 CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C)C#N)C 1 5.881 3 3 -18.0768556026042 1220050 C1CC1C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 1.878 2 1 0 -4.79298232140822 1219971 CCC1=NN=C(S1)NC(=O)CN2CCOCC2 1 4.5e-002 4 2 0 -15.250914354115 1219922 C1CCC2=C(C1)C3=C(S2)N=CN=C3SC4=NN=NN4C5=CC=CC=C5 1 4.581 6 0 -18.1001209485006 1219917 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)OC 1 2.11 4 4 0 -13.8874990332968 1219914 COC1=C(C=C(C=C1)/C=C\2/CCC3=CC=CC=C3C2=O)CN4CCOCC4 1 4.007 1 3 -1.77044082796218 1219913 COC1=C(C=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O)CN4CCOCC4 1 4.007 1 3 -1.77044082796218 1219876 COC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC=C(O3)Br)OC 1 2.984 2 4 -1.57814874170134 1219844 CC1=C(C(=NN1CC2=C(C=CC(=C2)/C=C/3\CCC4=CC=CC=C4C3=O)OC)C)Br 1 5.656 2 2 -3.56528874656897 1219828 C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)Cl 1 3.804 4 3 0 -3.80355802113862 1219799 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN4CCOCC4 1 2.556 3 3 -5.970646308213 1219756 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)C)C(=O)OC)C 1 5.377 3 4 0 -21.9808112068797 1219754 COC1=C(C(=CC=C1)OC)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N 1 2.753 2 4 -12.8471261714034 1219717 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4 1 2.973 2 4 -5.86905661948267 1219675 CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(C=C4)OCCO5 1 4.866 2 4 -9.76830379683699 1219643 C1CCC(CC1)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CO4 1 3.882 4 2 -11.9531499203782 1219642 C1CCC(C1)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CO4 1 3.426 4 2 -11.5986814062101 1219641 CN1C(=C(C=N1)Br)C(=O)N2CCOCC2 1 0.621 3 2 0 -8.44880699560319 1219595 CN1C(=C(C=N1)Br)C(=O)N2CCCC2 1 1.394 3 1 0 -6.52604203165952 1219586 CN1C(=C(C=N1)Br)C(=O)N2CCCCCC2 1 2.307 3 1 -6.8805105458276 1219578 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 3.794 2 3 -5.2094680876614 1219551 CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 3.435 2 4 -9.53581495217109 1219439 C1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CC=N4 1 2.094 9 2 0 -22.4362640970624 1219446 CC1=CC(=NN1CC(=NNC(=O)COC2=C(C=C(C=C2)Cl)Cl)C)[N+](=O)[O-] 1 2.898 5 4 0 -11.3308777074775 1219474 CC(=NNC(=O)C1=C(C=NN1C)Cl)C2=CN=CC=C2 1 1.119 5 1 0 -8.07169723035647 1219470 CC(=NNC(=O)C1=NC=CN=C1)/C=C/C2=CC=CC=C2 1 1.249 4 1 0 -8.09186326434452 1219451 CC1=CC(N(C2=CC=CC=C12)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)(C)C 1 2.954 2 3 -8.28774479121372 1219425 CC1=CC(=NN1CC(=NNC(=O)C2=CC=C(C=C2)C(C)(C)C)C)[N+](=O)[O-] 1 3.135 5 3 0 -10.8377795555504 1219415 CC(=NNC(=O)C1=NN(C=C1Cl)C)C2=CC=NC=C2 1 1.256 5 1 0 -8.53128044346534 1219396 COC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC=CS3)OC 1 2.974 2 3 -4.06766327718661 1219371 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-] 1 4.059 2 5 0 -10.0625016369477 1219352 CC(=NNC(=O)CN1N=C2C=CC=CC2=N1)C3=CC=C(C=C3)F 1 2.486 5 1 -7.93240775555825 1219339 CCOC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)OCC 1 2.852 2 4 -5.28631815848962 1219325 CC(=NNC(=O)C1=CC=CC2=CC=CC=C21)C3=CC=CC=N3 1 2.85 3 1 -3.63365995307728 1219284 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCC4)OC 1 3.805 2 3 -8.41371860540065 1219269 C1=CC(=CC=C1C=NNC(=O)C2=CC=C(O2)Br)Br 1 3.394 2 2 -6.26413795073425 1219262 CC(=NNC(=O)C1=CC=CC2=CC=CC=C21)C3=CC=CS3 1 3.525 2 1 -7.20193256913386 1219251 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NN=CC2=CC=C(S2)Br 1 3.099 3 3 -6.08656850657462 1219241 C1=CC=C(C=C1)COC2=CC=CC(=C2)C=NNC(=O)C3=CC=C(O3)Br 1 4.213 2 3 -6.8633942735624 1219237 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC=C(O2)Br 1 3.506 3 2 -11.0073204070478 1219220 CC(C)(C)C1CCC(=NNC(=O)C2=CC=C(O2)Br)CC1 1 3.537 2 2 -11.4704170766078 1219199 CC(C)COC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)O 1 3.745 1 5 -20.3947162715071 1219197 CC(=NNC(=O)C1=CC(=CC=C1)Br)CN2C3=CC=CC=C3N=N2 1 3.065 5 1 -12.437842212956 1219136 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CN=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C 1 0.918 5 4 0 -13.4548930762664 1219126 CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4 1 3.895 5 4 0 -7.06904442094677 1219116 CC1=CC=CC(=C1)C(=O)NN=CC2=CC(=C(O2)Br)Br 1 3.881 2 2 -4.16336204121554 1219099 CN1C=C(C(=N1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-] 1 3.383 4 3 0 -8.21457883619516 1219083 CC1=NN(C(=C1C=NNC(=O)C2=NC=CN=C2)Cl)C3=CC=CC=C3 1 1.778 6 1 0 -5.95738923089893 1219057 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=C(C=CC(=C3)Cl)OC 1 3.877 3 3 -4.83137432339089 1219043 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC4=C(C=C3Br)OCO4 1 3.746 3 4 0 -8.42110762582723 1219041 C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=CC=C3C=NNC(=O)C4=CC=CC=C4 1 3.883 2 5 0 -11.5486984707657 1219035 C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC(=CC=C3)OC(=O)C4=CC=CO4 1 3.278 2 6 0 -11.1572405037268 1219034 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC=C(C=C3)Br 1 3.978 3 2 -7.21596749495325 1219031 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC(=C(C=C3)[N+](=O)[O-])O 1 2.882 4 5 0 -6.92381289336185 1219023 C1=CC(=CC(=C1)OC(=O)C2=CC=CO2)C=NNC(=O)C3=CC=C(C=C3)F 1 3.716 2 4 -8.00828691547501 1219021 C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(O3)C4=CC=CC=C4Cl 1 5.616 4 1 1.90904549256719 1219020 C1=CSC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)F 1 4.274 2 3 -10.4674414775997 1219007 C1CN(CCC1=NNC(=O)C2=CC3=CC=CC=C3C=C2O)CC4=CC=CC=C4 1 3.428 3 2 0.421029742048188 1218957 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 2.162 4 3 0 -14.2976639364721 1218911 C1=CC(=CC(=C1)OCC(=O)C2=CC=C(C=C2)F)NC(=O)C3=CC=CO3 1 3.454 1 4 -6.08151014015896 1218910 COC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)NC(=O)C3=CC=CO3 1 3.233 1 5 -7.22594538948659 1218909 CC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)NC(=O)C3=CC=CO3 1 3.735 1 4 -6.79338716562421 1218838 C1=CC(=CC=C1C(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl)NC(=O)CCC(=O)O 1 3.235 1 6 0 -12.1100529969869 1218836 C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)Cl)NC(=O)CCC(=O)O 1 2.571 1 6 0 -16.3706998265614 1218758 COC1=CC=CC(=C1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32 1 2.074 2 5 0 -17.548488638099 1218757 C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OC3=CC=C(C=C3)Br 1 3.16 2 3 -11.1638834221931 1218756 C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)C3=CC=C(C=C3)Cl 1 2.755 2 4 -14.7237453253274 1218755 CC1=CC=C(C=C1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32 1 2.577 2 4 -16.5457440159142 1218752 C1=CC(=CC(=C1)NC(=O)CCC(=O)O)C(=O)NC2=CC=C(C=C2)Br 1 2.328 2 4 -12.7284599294316 1218688 CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2OCC(=O)C3=CC=CC=C3 1 4.34 1 3 -7.1480502835952 1218686 CC1=CC=C(C=C1)C(=O)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 4.34 1 3 -8.29930818126355 1218685 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC(=O)C3=CC=C(C=C3)Br 1 4.602 1 3 -7.93396923577817 1218684 COC1=CC=C(C=C1)C(=O)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 3.837 1 4 -8.64123144177264 1218682 CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC(=CC=C3)Cl)C)C(=O)N4CCOCC4)C 1 5.187 2 2 1.48889700335574 1218659 CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2OCC(=O)C3=CC=C(C=C3)F 1 4.545 1 3 -5.4721126936082 1218658 CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC(=O)C3=CC=C(C=C3)C 1 4.672 1 4 -8.8730028494759 1218655 CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC(=O)C3=CC=CC=C3 1 4.186 1 4 -9.83706341399765 1218653 CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC(=O)C3=CC=C(C=C3)F 1 4.545 1 3 -7.26236402041255 1218650 CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC(=O)C3=CC=CC=C3 1 4.34 1 3 -8.93830161039955 1218643 COC1=CC=CC(=C1)C(=O)COC(=O)C2=CC=CS2 1 2.878 0 4 -11.9650672743508 1218592 CC(C)C(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.519 1 4 -12.3074067458426 1218565 C1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.854 1 3 -8.79842572573805 1218563 COC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)OCC(=O)C3=CC=CC=C3 1 3.837 1 4 -9.49804828318815 1218554 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)OCC(=O)C3=CC=C(C=C3)F 1 4.013 1 3 -7.54174381288938 1218548 C1=CC(=CC(=C1)OCC(=O)C2=CC=C(C=C2)F)NC(=O)C3=CC=CS3 1 4.013 1 3 -7.61531216269085 1218526 COC1=CC=CC(=C1)C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.837 1 4 -8.80312628171854 1218431 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)Cl 1 5.337 0 3 -3.88821333943817 1218429 C1=CC=C(C(=C1)C(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3)C(=O)O 1 3.179 2 3 -5.82552405024672 1218392 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43 1 4.617 1 5 -8.43997315888374 1218387 CCOC(=O)C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C43 1 4.565 0 5 -7.63647277499352 1218343 CC1=CC=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)Br 1 3.839 1 3 -11.1754738373534 1218342 C1=CC=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)Br 1 3.353 1 3 -11.3321279757268 1218320 CCC(=O)NC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2 1 3.636 1 4 -13.635727898173 1218310 CCC(=O)NC1=CC=CC=C1C(=O)OCC(=O)C2=CC=CC3=CC=CC=C32 1 3.636 1 4 -10.7453103140938 1218287 CCC(=O)NC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=CC=C2Cl)C 1 3.879 1 4 -14.1700271490737 1218286 CCC(=O)NC1=C(C=CC(=C1)C(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl)C 1 4.543 1 4 -9.96432738449843 1218282 CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C 1 3.876 1 4 -10.3637300933122 1218216 COC1=CC=CC=C1OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl 1 4.822 1 3 -2.63795077304964 1218199 CC1=C(C=C(C=C1)C(=O)COC2=CC=CC=C2C3=CC=CC=C3)C 1 5.56 0 2 -1.64265814911622 1218198 C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)C3=CC=CC=C3 1 4.587 0 2 -2.79245409541739 1218183 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)CSC3=NN=CC4=CC=C(C=C4)Br 1 3.574 5 2 0 -14.6126826521263 1218173 C1=CC=NC(=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O 1 2.63 3 4 0 -3.64785040402451 1218172 COC1=CC=CC(=C1OC)C=NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4 1 3.707 3 4 0 -2.98569376013542 1218140 CC1=CC(=NN1C(=O)C2=CC=CC=C2)NC3=CC=CC=C3 1 3.525 3 1 -2.38398628056135 1218121 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C/C=C\3/C(C4=CC=CC=C4N3C)(C)C 1 3.406 4 1 2.03955322443744 1218120 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C/C=C/3\C(C4=CC=CC=C4N3C)(C)C 1 3.406 4 1 2.03955322443744 1218110 COC(=O)NC(=S)NC1=CC(=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl)Cl 1 6.298 2 3 -5.49632840817898 1218091 CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CS2 1 3.38 0 3 -10.962322652166 1217866 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=O)C4=C(C5=CC=CC=C5S4)Cl 1 6.359 3 1 4.90401866569033 1217852 COC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3 1 5.116 0 4 -6.18199401409492 1217817 C1=CC(=CC=C1CC2=CC=NC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.89 2 2 -1.51789134376768 1217800 CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)NC(=O)C 1 4.354 3 2 -2.38988720739406 1217750 COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N=C3 1 4.009 3 2 2.95447430225056 1217730 COC1=CC=CC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.709 1 5 -14.1827700042764 1217718 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC=C3OCC(=O)C4=CC=C(C=C4)Cl 1 4.342 1 4 -7.69026618607107 1217708 CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O 1 2.731 2 4 -12.5513401251285 1217706 CC1=C(C=CC=C1Cl)NC(=O)C2=CC(=CC=C2)NC(=O)CCC(=O)O 1 2.731 2 4 -12.1713171991854 1217699 CC1=CC=C(N1C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)OC)OC)C 1 3.749 2 3 -12.0933224377671 1217698 COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)NC(=O)CCC(=O)O 1 2.228 2 5 0 -13.5245163723119 1217669 C1CC(CCC1C(=O)NC2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4C3=O 1 3.265 2 3 -7.9276928338073 1217616 COC1=CC=CC=C1OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC5=C4C=CC=N5 1 4.169 2 4 -2.72864124037805 1217579 C1=CC=C(C=C1)C2=NC3=C(C=C(C(=C3)C#N)C#N)N=C2C4=CC(=C(C=C4)C#N)C#N 1 4.703 6 0 3.02387090302368 1217502 COC1=C(C=C(C=C1)CC(=O)NNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)OC 1 2.484 2 5 0 -12.0536069569263 1217554 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC(=O)C3=CC=CC=C3Br 1 4.795 1 3 -5.79492602823213 1217495 C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)O 1 3.234 3 4 0 -11.2186748269931 1217491 CC1=CC=C(S1)C=NNC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 2.664 4 1 -0.865063726947692 1217423 CCOC1=C(C=C(C(=C1)/C=C\2/C(=O)N(C(=NC)S2)C)Br)OC(=O)C 1 3.257 2 4 -9.32497666672996 1217392 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC5=C4C=CC=N5)C 1 4.709 2 5 0 -14.4302171090202 1217390 C1=CC2=C(C=CC=N2)C(=C1)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC=C(C=C5)Cl 1 4.4 2 5 0 -12.5294974309553 1217389 CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC5=C4C=CC=N5 1 4.222 2 5 0 -14.3514961215421 1217342 CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3 1 3.92 2 2 -9.28301672753693 1217331 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.583 4 5 0 -19.9048199402928 1217305 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)O 1 1.524 1 4 0 -16.3509846653479 1217293 COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.709 1 5 -13.7843087299407 1217289 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)C4=CC=CC=C4 1 1.818 4 4 0 -24.0499708032857 1217277 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)CC3=CC=CC=C3 1 2.999 3 4 0 -15.627089614688 1217275 C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)O 1 2.853 2 5 0 -13.9513654819748 1217267 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC=CO4 1 3.476 2 6 0 -24.6950137291132 1217265 CC1=CC(=C(C=C1)OC(=O)COC2=CC=CC=C2)N3N=C4C=CC=CC4=N3 1 4.925 3 3 -7.31386830443734 1217216 C1COCCN1C(=O)C2=CC(=CC=C2)OC3=C(C=CC=C3Cl)[N+](=O)[O-] 1 3.05 2 5 0 -5.19123612801082 1217214 C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC(=O)O 1 1.748 1 5 0 -12.5007219824197 1217181 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.072 2 4 -8.01010942434505 1217158 C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CN=CC=C3)Cl 1 2.616 3 3 -8.37200428202703 1217157 CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C)N3N=C4C=CC=CC4=N3 1 4.207 4 4 0 -16.0384207151887 1217154 CC1=C(C=C(C=C1)C(=O)NCC2=CC=CS2)S(=O)(=O)N3CCCCC3 1 2.882 2 3 -23.4967479852003 1217149 CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2 1 1.877 2 3 0 -21.7521818824209 1217147 CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2 1 1.612 1 4 0 -19.2185965339469 1217143 CC(C)(C)C1=CC(=NO1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 2.104 3 5 0 -26.7423536133503 1217142 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(N=CC=C3)Cl 1 1.142 3 4 0 -21.497945046526 1217129 CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)NC(=O)C3=CC=CS3)S(=O)(=O)N4CCOCC4 1 3.291 2 6 0 -26.7100012801664 1217123 C1=COC(=C1)C(=O)OC2=CC(=C(C=C2)OC(=O)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 5.251 0 8 0 -10.5775462043441 1217079 COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCS(=O)(=O)CC3)Cl 1 1.796 2 6 0 -19.8396738072924 1217068 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)Cl)C 1 4.973 1 3 -11.8528296899467 1217038 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl 1 3.693 2 4 -6.11038435562686 1217037 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.197 2 2 -12.5089668968066 1217026 COC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.187 2 4 -12.695963352656 1217025 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)F 1 2.043 2 4 -22.3770882849765 1217021 COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)N4CCOCC4 1 1.188 2 7 0 -24.9013487557328 1217018 C1CCC(C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 2.018 2 3 -20.530897144023 1216994 CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.854 2 3 -7.15970158918364 1216990 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)N 1 2.064 3 3 -14.8501905763912 1216983 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CC=C(C=C4)Br 1 4.293 3 3 -7.83140292855497 1216979 CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4 1 4.651 2 4 -6.15610528441901 1216977 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4 1 4.165 2 4 -7.42717513323422 1216910 C1=CC(=CC=C1C2=NN=C(O2)CCS(=O)(=O)C3=CC=C(C=C3)Cl)Br 1 4.092 2 3 -7.90285727069816 1216852 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 3.976 2 4 -15.8910989707642 1216839 COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2 1 1.263 1 4 0 -17.8813663907619 1216821 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C2=NN=C(O2)C3=CC=C(C=C3)Br)Br 1 4.365 3 3 -4.65930378693825 1216819 COC1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)N)C(=O)NC3=CC=CC=C3OC 1 2.62 3 4 0 -9.72937560300279 1216754 C1=CC=C2C(=C1)C=CC=C2OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O 1 4.713 1 4 -3.10604343881167 1216753 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C(=O)OCC(=O)C3=CC=C(C=C3)Br 1 3.869 1 5 -12.7382244052581 1216732 C1=CC=C2C=C(C=CC2=C1)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O 1 4.713 1 4 -0.455815116105134 1216584 C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl 1 3.37 2 4 -17.4046546347714 1216581 C1COCCN1C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 0.4 2 5 0 -21.0365918206003 1216502 CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3 1 1.889 2 5 0 -19.1377287131568 1216489 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC(=O)C3=CC=C(O3)Br 1 4.009 1 4 -10.2149557027063 1216483 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 1.583 4 5 0 -20.8625593730458 1216394 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OC2=CC=CC(=C2)C3=NC4=CC=CC=C4N=C3 1 5.152 3 4 0 -8.27474174445256 1216392 CC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)S(=O)(=O)N3CCOCC3 1 1.094 2 5 0 -24.7601655390155 1216381 C1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Cl)Cl 1 3.607 2 5 0 -15.6083654703269 1216341 CC1=CC2=C(C=C1)N=NN=C2C3=CC=CC=C3 1 3.165 3 0 3.18602750581483 1216323 C1C2=CC=CC=C2C(=O)C1(CC3=CC=CC=C3)CC4=CC=CC=C4 1 5.751 0 1 0.843446740770467 1216303 COC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC4=C(C=C3)OCC(=O)N4)C5=CC=CC=C5 1 4.865 2 3 5.80384349956706 1216272 CN1C(=O)COC2=C1C=C(C=C2)C(=O)C3=C(C4=CC=CC=C4O3)C5=CC6=C(C7=CC=CC=C7OC6)N=C5 1 4.876 2 5 0 1.3091711435539 1216259 CC1=CC2=C(C=C1)OCC3=C2N=CC(=C3)C(=O)C4=C(C=CC(=C4)Br)O 1 4.76 1 3 6.82403471856954 1216178 C1C2(COC(O1)C3=CC=NC=C3)C(=O)NC(=O)S2 1 0.332 2 4 0 -5.91568921148878 1216177 COC1=C(C=C(C=C1)C2OCC3(CO2)C(=O)NC(=O)S3)OC 1 1.45 1 6 0 -11.7257705649928 1216174 C1C2(COC(O1)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC(=O)S2 1 1.378 2 6 0 -10.6404207407216 1216135 CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC=N4 1 3.928 3 3 -1.54496933981239 1216073 CC1=C(C(=CC=C1)OCC(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C 1 3.153 3 6 0 -7.04477770380004 1216070 CC1=CC=CC=C1OCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC 1 4.373 2 5 0 -13.4289292012666 1215863 COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4 1 4.33 2 2 -4.44903304513218 1215807 C1=CC=C(C=C1)NCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 1.757 4 4 0 -8.25369657671716 1215656 CCN(CC)C(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CS3)C#N 1 4.974 3 1 -20.0639721434447 1215650 C1CCC2(CC1)C(=C(NC(=C2C#N)SCC3=CC=C(C=C3)Br)N)C#N 1 4.398 4 0 -8.86166139308211 1215664 COC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CC=C4)N 1 4.619 2 2 -1.44074091759513 1215342 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3C(=O)O 1 3.029 2 4 -9.59470662832065 1215337 C1COCCN1CCN2C3=CC=CC=C3N=C2N=CC4=CC=C(C=C4)Br 1 3.618 4 1 0.536968813397251 1215321 CC1=C(C(=CC=C1)C)NC2=NC(=S)N(C2(C)C)C3=CC=C(C=C3)N(C)C 1 5.909 4 0 -4.92625344163401 1215306 CN1C=NC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F 1 2.998 3 2 1.31785586955793 1215296 C1COCCN1C(=NC2=CC=C(C=C2)Cl)P(=O)(N3CCOCC3)N4CCOCC4 1 0.535 4 4 0 -0.930178124931956 1215283 C1=CC=C(C=C1)C2=NC3=C(C(=C2)C4=CC=C(C=C4)F)C(=C(S3)C(=O)O)N 1 4.585 2 2 -0.230914565033455 1215254 CC(=NOC1=NC(=NC(=N1)N(C)C)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl)C 1 1.918 7 4 0 -10.7461260930479 1215212 CCOC(=O)C1=C(C=C(S1)NC(=O)C)C 1 1.718 1 3 0 -7.89647460943882 1215208 C1=CC=C(C=C1)N2N=C(N=N2)C3=CN=CC=C3 1 1.931 5 0 0 -0.450356102637924 1215171 CC1=NC2=CC=CC=C2C(=C1C(=O)C3=CC=CC=C3)C4=CC=CC=C4 1 5.221 1 1 0.958156625223141 1215170 CC1=NC2=CC=CC=C2C(=C1C(=O)OC)C3=CC=CC=C3 1 3.672 1 2 -1.86699838427518 1215122 CCOC(=O)C1=C(N=C2C3=CC=CC=C3C(=O)C2=C1C4=CC(=C(C(=C4)OC)OC)OC)C 1 4.156 1 6 0 -4.50976472235499 1215015 CC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)CCCC3 1 4.437 1 1 -6.69180734138481 1214954 C1C(=NN=C2N1C3=CC=CC=C3OC2)C4=CC=C(C=C4)Cl 1 3.062 3 1 4.01850874067235 1214949 CCOC(=O)COC1=CC=CC=C1C(=O)C2=CN(N=C2)C3=CC=CC=C3 1 3.5 2 4 -6.11806427691574 1214939 COC1=CC=C(C=C1)C=NNC(=O)C2=NN(C(=O)C3=C(SC=C32)N)C4=CC=CC=C4 1 2.639 5 3 0 -3.85980808371596 1214938 COC1=CC=C(C=C1)C=NNC(=O)C2=NN(C(=O)C3=C(SC=C32)N)C4=CC=C(C=C4)Cl 1 3.303 5 3 0 -1.77650619798691 1214927 CC1=C(C(=NC(=N1)N)N)CCCC2=CC(=C(C=C2)Cl)Cl 1 4.116 4 0 1.92224530931465 1214921 CC1=NN(C(=O)N1C)C2=CC(=C(C=C2Cl)Cl)N(S(=O)(=O)C)S(=O)(=O)C 1 1.218 4 5 0 -6.04262305265907 1214909 CC1=CN=C(C=C1)NC2=NC3=CC=CC=C3N2 1 2.674 4 0 1.99971141410705 1214858 C1=CC(=CC=C1CCC2=NNC(=S)O2)Cl 1 3.698 2 1 -2.52786786458216 1214834 CSC1=NC(=O)C=C(N1)C2=CC=C(C=C2)F 1 2.408 2 1 -5.11659865020824 1214828 CC1=NN(C(=C1[N+](=O)[O-])OC2=CC=CC=C2)C 1 2.341 3 3 1.49540822627565 1214825 CC1=NOC(=C1)NC(=O)C2=CC=CC=C2F 1 1.681 2 2 0 -7.51529708869596 1214727 CC1=C(OC(=O)C2=C(N(N=C12)C3=CC=CC=C3)N)C4=CC=C(C=C4)Cl 1 4.266 3 2 2.46173456830137 1214726 COC1=CC(=C(C=C1)C(=O)CCC2=CC=CC=C2)O 1 3.466 0 3 1.23677642195133 1214722 CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C4=CC=CC=C4C2=O 1 3.077 2 3 -9.84013015420645 1214698 COC1=C(C=CC(=C1)Br)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O 1 4.494 1 4 -6.71608803729438 1214688 CC(=O)C(=S)NN(C1=CC=CC=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 5.293 5 1 0.536687008726503 1214687 CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)N(C4=CC=CC=C4)NC(=S)C(=O)C 1 5.115 5 1 -1.28531168186032 1214673 C1=CC=C(C=C1)C(=O)C2=NN(C=C2C(=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4 1 6.041 2 2 3.00312305811901 1214672 CC1=NN=C(C2=CN(N=C12)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)Br 1 4.736 4 1 8.99543891589274 1214671 CC1=NN=C(C2=CN(N=C12)C3=CC=CC=C3Cl)C4=CC(=CC=C4)Br 1 5.417 4 0 3.51057482075107 1214670 CC1=CC=C(C=C1)N2C=C3C(=N2)C(=NN=C3C4=CC(=CC=C4)Br)C 1 5.239 4 0 9.22010853070307 1214669 CC1=NN=C(C2=CN(N=C12)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br 1 5.501 4 0 8.32248483320766 1214668 CC1=NN=C(C2=CN(N=C12)C3=CC=C(C=C3)Br)C4=CC(=CC=C4)Br 1 5.501 4 0 8.84408418365345 1214667 CC1=NN=C(C2=CN(N=C12)C3=CC=CC=C3)C4=CC(=CC=C4)Br 1 4.753 4 0 8.64451838792446 1214665 CC1=CC(=CC=C1)N2C=C(C(=N2)C(=O)C)C(=O)C3=CC(=CC=C3)Br 1 4.863 2 2 4.94359723408609 1214664 CC1=CC=C(C=C1)N2C=C(C(=N2)C(=O)C)C(=O)C3=CC(=CC=C3)Br 1 4.863 2 2 3.05683792293597 1214663 CC(=O)C1=NN(C=C1C(=O)C2=CC(=CC=C2)Br)C3=CC=CC=C3 1 4.377 2 2 2.29295118582356 1214655 CC(=O)C1=NN(C=C1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br 1 4.377 2 2 2.06981019512065 1214654 CC(=O)C1=NN(C=C1C(=O)C2=CC=CO2)C3=CC=C(C=C3)Br 1 3.772 2 3 1.87408285235128 1214652 CC1=NN=C(C2=CN(N=C12)C3=CC(=CC=C3)Br)C4=CC=CO4 1 4.148 4 1 9.96929291857308 1214648 CC(=O)C1=NN(C=C1C(=O)C2=CC3=CC=CC=C3C=C2)C4=CC(=CC=C4)Br 1 5.285 2 2 6.03776353236723 1214647 CC(=O)C1=NN(C=C1C(=O)C2=CC=CC3=CC=CC=C32)C4=CC(=CC=C4)Br 1 5.285 2 2 4.62391887847108 1214646 CC(=O)C1=NN(C=C1C(=O)C2=CC=CO2)C3=CC(=CC=C3)Br 1 3.772 2 3 2.36834000696973 1214645 CC(=O)C1=NN(C=C1C(=O)C2=CC=C(C=C2)Br)C3=CC(=CC=C3)Br 1 5.125 2 2 2.8927882023898 1214644 CC1=CC=C(C=C1)C(=O)C2=CN(N=C2C(=O)C)C3=CC(=CC=C3)Br 1 4.863 2 2 3.45710914377323 1214643 CC(=O)C1=NN(C=C1C(=O)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Br 1 5.041 2 2 5.27910783436005 1214642 CC(=O)C1=NN(C=C1C(=O)C2=CC=CC=C2)C3=CC(=CC=C3)Br 1 4.377 2 2 2.5640673497391 1214621 C1=CC=C(C=C1)C(=O)C2=NN(C=C2C(=O)C3=CC4=CC=CC=C4OC3=O)C5=CC=C(C=C5)Cl 1 5.987 2 4 -1.5524160660798 1214599 C1=CC(=CN=C1)C2=NN=C(C3=NOC=C23)C4=CC=C(C=C4)Br 1 3.494 4 1 0.862681455713624 1214588 C1=CC=NC(=C1)C(=O)C2=CON=C2C(=O)C3=CC=C(C=C3)Br 1 3.547 2 3 -4.59565773537083 1214583 CC(=O)C1=NN(C(=C1C#N)C2=CC=CO2)C3=CC(=CC=C3)OC 1 3.292 3 3 -1.52171312599664 1214581 CC(=O)C1=NN(C=C1C(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=C(C=C4)OC 1 3.642 2 5 0 -3.91059921780361 1214575 CC(=O)C1=NN(C=C1C(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3 1 4.377 2 2 2.19896525204237 1214563 CCOC(=O)C1=NN(C=C1C(=O)C2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)Br 1 5.75 2 3 2.12678024540724 1214550 CC1=CC=C(C=C1)C(=O)C2=CN(N=C2C(=O)C)C3=CC=CC=C3 1 4.115 2 2 1.83362630655699 1214540 CC(C)(C)C1=C(N2C=CC=CC2=C1)C=S 1 4.012 1 0 -1.64217548745295 1214525 CC(=O)NS(=O)(=O)C1=C(N=CC=C1)NC2=CC(=C(C=C2)Cl)Cl 1 2.792 3 3 -5.61348261340913 1214522 C1CCN(CC1)S(=O)(=O)C2=C(C=CN=C2)N3CCN(CC3)N=CC4=CC=C(C=C4)Cl 1 2.741 5 2 0 -6.16432671611862 1214521 CCC(=O)NN1CCN(CC1)C2=C(C=NC=C2)S(=O)(=O)N3CCCCC3 1 0.267 5 3 0 -13.5072605878778 1214520 CC1=CC=C(C=C1)C=NN2CCN(CC2)C3=C(C=NC=C3)S(=O)(=O)N4CCCCC4 1 2.563 5 2 0 -7.98632540670544 1214519 CN1CCN(CC1)S(=O)(=O)C2=C(C=CN=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 2.209 5 2 0 -1.66605412257051 1214518 CC(C)N1CCN(CC1)C2=C(C=NC=C2)S(=O)(=O)N3CCOCC3 1 0.329 4 3 0 -12.9376257316966 1214515 CCN(CC)S(=O)(=O)C1=C(C=CN=C1)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 2.95 4 2 0.847258218021713 1214514 C=CCN1CCN(CC1)C2=C(C=NC=C2)S(=O)(=O)N3CCCCC3 1 1.449 4 2 0 -11.6790387815201 1214513 C=CCN1CCN(CC1)C2=C(C=NC=C2)S(=O)(=O)N3CCOCC3 1 0.22 4 3 0 -13.6372215029698 1214507 C1CN(CCN1CCO)C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3 1 -1.017 4 4 0 -9.91942754825997 1214506 C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)CCO 1 0.212 4 3 0 -7.96124482681024 1214505 CC(C)N1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.249 4 3 0 -14.6374166638706 1214504 COC1=CC=C(C=C1)C=NN2CCN(CC2)C3=C(C=NC=C3)S(=O)(=O)N4CCCCC4 1 2.06 5 3 0 -8.39929161584958 1214500 CC1=C(C=CC(=C1)S(=O)(=O)C2=NC=C(C=C2)[N+](=O)[O-])Br 1 3.45 2 4 -6.66033056695231 1214497 CC1=NC(=CC=C1)SC2=C(N=CN2C)[N+](=O)[O-] 1 2.27 4 2 -2.6652189862714 1214495 CC(C)CN1C(=C(N=C1C(C)C)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)F 1 4.371 3 4 0 -11.2985402339772 1214493 CC(C)CN1C(=C(N=C1C(C)C)[N+](=O)[O-])SC2=NC=C(C=C2)Cl 1 5.234 4 2 -4.65454200462726 1214489 CCNC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC(=CC=C2)Cl 1 1.933 4 3 0 -3.56649888777044 1214483 CC(C)NC(=O)N1CCN(CC1)C2=C(C=NC=C2)S(=O)(=O)N3CCOCC3 1 -0.415 5 4 0 -21.4221271412017 1214482 C1CCN(CC1)S(=O)(=O)C2=C(C=CN=C2)N3CCN(CC3)N=CC4=CC=CC=C4 1 2.076 5 2 0 -8.1582692237898 1214481 C1CCN(CC1)S(=O)(=O)C2=C(C=CN=C2)N3CCN(CC3)N=CC4=CC=C(C=C4)[N+](=O)[O-] 1 1.971 6 4 0 -10.0807231940627 1214480 CC(C)NC(=O)N1CCN(CC1)C2=C(C=NC=C2)S(=O)(=O)N3CCCCC3 1 0.814 5 3 0 -19.463944419752 1214477 C1CCN(CC1)S(=O)(=O)C2=C(C=CN=C2)N3CCN(CC3)N=CC4=CC=C(C=C4)Br 1 2.825 5 2 0 -7.62098646122006 1214472 CCCC1=NC(=C(N1CC(C)C)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-] 1 4.159 3 4 0 -12.6832750071467 1214467 CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)SC2=CC(=CC=C2)Cl 1 2.879 3 3 -8.585914938499 1214462 CN(C(=O)CC1=CC=CC=C1)N2C=NN=C2 1 0.474 4 1 0 -3.77433040753878 1214461 C1CCN(CC1)S(=O)(=O)C2=C(C=CN=C2)N3CCN(CC3)N=CC4=CC=CC=C4[N+](=O)[O-] 1 1.971 6 4 0 -10.3277789619526 1214455 CC1=CC=C(C=C1)N2C=NC(=O)C3=C2N=CC=C3 1 2.407 3 1 -2.03301772812393 1214450 CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)SC2=CC(=CC(=C2)Cl)Cl 1 3.544 3 3 -9.70684806468059 1214448 CCOC(=O)N1CCN(CC1)C2=C(C=NC=C2)S(=O)(=O)N3CCCCC3 1 1.084 4 4 0 -12.0132661046958 1214446 CCOC(=O)C1=CN=CC(=C1)C(=O)O 1 0.513 1 4 0 -7.84957612911888 1214445 COC(=O)C1=C(C=CC=N1)SC 1 1.505 1 2 0 -8.7748090367005 1214443 CNS(=O)(=O)C1=C(C=CN=C1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 2.324 4 2 3.18558637478682 1214442 COC1=CC=CC(=C1)C=NN2CCN(CC2)C3=C(C=NC=C3)S(=O)(=O)N4CCCCC4 1 2.06 5 3 0 -7.94259620855553 1214441 CNS(=O)(=O)C1=C(C=CN=C1)N2CCN(CC2)C3=CC(=C(C=C3)Cl)C(F)(F)F 1 2.988 4 2 -1.18789727009479 1214438 CCS(=O)(=O)C1=C(N=CN1C)[N+](=O)[O-] 1 0.355 3 4 0 -9.32216613004792 1214431 C1CN(C(=O)CN1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.182 2 5 0 -19.2014161994029 1214421 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.841 2 5 0 -15.3000676483903 1214420 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3 1 2.416 3 4 0 -14.4594135832912 1214419 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CS(=O)(=O)CC3=CC=CC=C3 1 3.2 2 3 0.806978025690588 1214403 CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C 1 2.189 2 4 -11.9515777708851 1214402 CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.724 4 3 0 -11.6954131622687 1214397 CCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 4.464 2 2 -9.01857723469947 1214378 C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)N=C(N3)NC4=CC=C(C=C4)F 1 2.814 7 1 0 -19.33182914571 1214377 CC1=CC=C(C=C1)NC2=NC(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4 1 3.095 7 1 0 -20.0437061711752 1214346 C1CN(CCC1CC2=CC=CC=C2)CC3=NC(=NC(=N3)NC4=CC=CC=C4)N 1 3.773 6 0 4.19991469347042 1214326 COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)CSC3=CC=CC=C3)OC 1 3.409 3 3 -17.9649548095649 1214320 COC1=C(C=C(C=C1)CC2=NN=C(S2)NS(=O)(=O)C3=CC=C(C=C3)Cl)OC 1 3.383 3 4 0 -12.2110963971815 1214318 COC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC 1 2.702 3 5 0 -14.277288448003 1214281 CC1(CC2=NC(=NC=C2C(=O)C1)NC(=O)CSC3=NC4=CC=CC=C4O3)C 1 2.804 4 3 0 -18.348198313992 1214279 CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CCC5=CC=C(C=C5)OC)[O-] 1 3.655 4 3 0 -1.29452324165658 1214257 CC(=O)N(C)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.972 2 3 -3.62189093992917 1214253 CCC(CC)NC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2 1 4.586 1 1 -10.2795643976617 1214242 COC1=CC=CC=C1CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.784 3 3 -15.517051577576 1214240 COC1=CC=CC=C1NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N 1 2.784 3 3 -15.5171024454521 1214234 COC1=CC=CC=C1NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 5.04 3 1 -5.68540768861732 1214231 COC1=CC=CC=C1NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 3.105 3 3 -16.0532420131335 1214225 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3 1 5.878 3 0 -5.30944424981042 1214215 COC1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 4.34 3 3 -9.76354041188314 1214213 COC1=CC=CC=C1NC(=S)NNC(=O)C2=CC=CC=C2Br 1 4.006 3 2 -9.39410975605646 1214212 CC(C)CCNC1=NC2=C(N1CC(=O)NCCC(C)C)C(=O)N(C(=O)N2C)C 1 1.998 6 3 0 -28.9233003306959 1214197 CC1=NN(C(=C1C=NNC(=S)NC)Cl)C2=CC=CC=C2 1 3.199 5 0 -4.12374034844332 1214175 COC1=CC(=CC(=C1O)OC)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3 1 4.355 1 4 -4.80888880893244 1214172 COC1=CC(=C(C=C1)O)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3 1 4.372 1 3 0.396682199344 1214142 COC1=CC=CC(=C1OCC(=O)O)/C=C/2\C(=O)N(C(=O)S2)CC(=O)N3CCC4=CC=CC=C4C3 1 2.52 2 7 0 -17.2626671956915 1214139 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC(=O)N3CCC4=CC=CC=C4C3)OCC(=O)O 1 2.869 2 7 0 -22.1173920785987 1214087 COC1=C(C(=CC(=C1)/C=C\2/C(=O)N=C(S2)N)Cl)O 1 2.402 2 3 -0.911575154694102 1214069 CC1=CC(=NC(=N1)NC2=NCC(=O)N2C3=CC=CC=C3Br)C 1 2.515 5 1 -4.17100428131384 1214066 CN1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 2.982 3 2 -4.13858684308151 1214046 CC1=CC(=NC(=N1)NC2=NCCN2C(=O)NC3=CC(=C(C=C3)Cl)Cl)C 1 3.224 6 1 0 -4.84509210483978 1214033 CC(C)CCOC1=NC=NC2=C1SC3=NC4=C(CSC(C4)(C)C)C=C23 1 5.041 3 1 -11.1409580236467 1214032 CC1(CC2=C(CO1)C=C3C4=C(C(=NC=N4)SCC(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6)SC3=N2)C 1 5.529 4 2 -27.849566954955 1214029 CC1=NC2=C(C(=N1)OCC3=CC=CC=C3)SC4=NC5=C(COC(C5)(C)C)C=C24 1 4.255 3 2 -13.8286883554961 1214016 CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4 1 5.107 2 4 -6.39554342019809 1214014 COC1=CC=CC=C1OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=C5C(=C(C=C4)Br)C=CC=N5 1 4.917 2 4 -0.97862928972747 1213867 CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)OC)C(=O)C 1 4.573 4 2 -2.75311743221073 1213862 CCN1C(=C(C(=NC1=S)N2CCN(CC2)C3=CC=C(C=C3)OC)C(=O)C)C 1 3.25 4 2 -3.2549196401952 1213859 C1CCN(CC1)C2(CCN(CC2)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N 1 2.468 4 3 0 -4.49103018878772 1213858 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NN=C(N4CC=C)C5=CC=NC=C5 1 5.006 6 1 0 -6.98128274526067 1213848 C=CCN1C(=C(C(=O)N=C1SCC(=O)N2CCOCC2)CC3=CC=CC=C3)O 1 2.604 3 4 0 -22.4494937419426 1213842 COC1=CC=C(C=C1)NC2=NN3C(=NN=C3C4=CC=C(C=C4)Br)C=C2 1 3.962 5 1 0.787102597536209 1213802 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2 1 3.312 2 4 -14.8718899414551 1213674 CC1=CSC(=N1)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl 1 4.428 2 2 3.85415417587524 1213610 COC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.208 2 4 -5.80567712957777 1213602 COC1=CC(=CC=C1)OCC(=O)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.208 2 4 -6.34740051207908 1213598 COC1=CC(=CC=C1)OCC(=O)NNC(=O)C2=C(C3=CC=CC=C3C=C2)O 1 2.356 2 5 0 -6.92320067962647 1213588 COC1=CC(=C(C=C1)/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CCCCC3)OC 1 3.365 2 5 0 -7.18318076078883 1213542 C1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3 1 1.868 3 5 0 -10.5400181379981 1213520 C1CN(CCN1CCO)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4 1 2.584 3 2 2.46240713270165 1213517 CC(C)CNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N 1 2.409 3 2 -14.0020493097122 1213472 C1=CC=C(C(=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)Cl 1 3.465 3 2 -14.3534669678494 1213471 C1=CC(=CC=C1CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)Cl 1 3.465 3 2 -11.1678288467791 1213470 COC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.784 3 3 -13.4027937465101 1213469 C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.569 3 4 0 -14.6850814745911 1213466 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)S(=O)(=O)N 1 3.062 4 4 0 -13.8741773128404 1213464 C1CN(CCN1CCO)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 4.026 3 2 -5.31257229266254 1213460 COC1=CC(=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)OC 1 3.039 3 4 0 -14.4145940293822 1213458 COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 3.366 4 3 0 -12.8445713524151 1213444 COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)OC 1 4.556 3 2 -10.0732881803495 1213443 COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CC3=CC=CC=C3 1 4.556 3 2 -7.88757364851665 1213442 COC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)OC 1 4.556 3 2 -9.79494152718358 1213441 CC1=C(C=CC(=C1)Cl)NC(=S)N2CCN(CC2)CC3=CC=CC=C3 1 5.739 3 0 -5.25544909765016 1213440 CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)CC3=CC=CC=C3 1 5.739 3 0 -4.06771843439373 1213439 CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.429 3 4 0 -20.3383126887864 1213438 C1CN(CCC1CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 4.41 3 2 -12.6994934234756 1213420 COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3)OC 1 5.024 3 2 -6.83230490139661 1213409 COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3)OC 1 4.033 4 2 -10.7479763409525 1213408 COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 4.033 4 2 -8.56226180911967 1213406 COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)C(=O)N)OC)Cl 1 3.154 3 3 -15.8940229051366 1213403 COC1=CC(=C(C=C1NC(=S)NCCC2=CNC3=CC=CC=C32)OC)Cl 1 5.342 3 2 -15.8949711916056 1213402 CC1(CC(CC(N1)(C)C)NC(=S)NC2=CC(=C(C=C2OC)Cl)OC)C 1 3.883 3 2 -17.8409796940563 1213401 COC1=CC(=C(C=C1NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N)OC)Cl 1 3.753 3 4 0 -18.5162279216163 1213400 COC1=CC(=C(C=C1NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)OC)Cl 1 3.432 3 4 0 -17.980088353935 1213383 COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C3=CC=CC=N3)OC)Cl 1 4.697 4 2 -11.8956520396437 1213365 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)CCCC3 1 1.825 3 3 0 -9.48032136642682 1213362 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F 1 3.385 2 4 -7.63111394685587 1213361 COCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)Br 1 1.537 3 3 0 -8.19316090070497 1213359 C1CCC2=C(C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.453 2 2 -4.37700539197449 1213351 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CC4=CC=CC=C4 1 3.551 3 3 -6.10935090126363 1213344 CC1=CC(=NC(=N1)SCC(=O)NC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C 1 4.511 4 2 -5.70057581521944 1213289 CN(C)C(=S)NN1C(=NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC 1 3.6 4 2 -6.05645811881448 1213240 CC1(CC(CC(N1)(C)C)NC2=C(C(=O)CC(C2)(C)C)C(=S)NC3=CC=CC=C3)C 1 3.705 3 1 -16.355666575822 1213228 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C 1 2.646 2 4 -7.66873223205331 1213225 CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=CC=C2)NCCN3CCOCC3)C 1 2.792 3 2 -12.4961545247699 1213221 CC1(CC(=O)C(=CNC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C(=O)C1)C 1 1.734 1 6 0 -14.5468537898947 1213138 CC1=CC=CC=C1N2C(=O)C3=CC4=C(CCCC4)N=C3N=C2SCC(=O)NC5=CC=CC=C5 1 5.198 4 2 -22.3359881213331 1213087 COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)CSC3=N 1 2.81 3 2 -3.54945861691486 1213078 CCOC1=CC2=C(C=C1)NC(=C2NC(=O)C)O 1 1.458 2 3 0 -2.36033236252958 1213026 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)COC4=CC=CC=C4 1 3.368 3 3 -6.08828655607884 1212787 CC(C)OC(=O)CC12CN(CC(C1=O)(CN(C2)C)CC(=O)OC(C)C)C 1 0.958 2 5 0 -9.81104210132606 1212770 COC1=C(C=C(C=C1)CC2=NN=C(S2)NC3=CC=CC=C3)Br 1 3.908 3 1 -5.12908293391981 1212769 CC(C)COC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)N3CCOCC3 1 5.526 3 2 -5.37283114160971 1212768 CCN1C(=O)C2=C(N=C1SCC(=O)OC)SC3=C2CC(OC3)(C)C 1 2.618 2 4 -34.134285022044 1212763 COC(=O)CC/C(=C\1/C=C(NC1=O)C2=CC=C(C=C2)Br)/C3=CC=C(C=C3)Br 1 4.706 1 3 -11.1150322044483 1212755 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CCCC(=O)O 1 1.768 1 5 0 -17.5024597478042 1212752 C1COCCC1(CNC(=O)/C=C/C2=CC=C(C=C2)F)C3=CC=CC=C3 1 3.436 1 2 -16.291888442341 1212732 CC1(CC2=C(C(=NC(=C2CO1)N3CCOCC3)SCC(=O)O)C#N)C 1 1.97 3 4 0 -21.7473682248711 1212581 CCN1C=C(C(=N1)C)C2C3=C(CC(CC3=O)(C)C)N(C4=C2C(=O)CC(C4)(C)C)C5=CC=C(C=C5)C 1 5.238 3 2 -17.2369316867697 1212579 CCN1C=C(C(=N1)C)C2C3=C(CC(CC3=O)(C)C)N(C4=C2C(=O)CC(C4)(C)C)C5=CC=CC=C5 1 4.752 3 2 -17.3099382875781 1212578 CC1=NN(C=C1C2C3=C(CC(CC3=O)(C)C)N(C4=C2C(=O)CC(C4)(C)C)C5=CC=CC=C5)C 1 4.403 3 2 -13.6752900654808 1212575 CC1=NN(C=C1C2C3=C(CC(CC3=O)(C)C)N(C4=C2C(=O)CC(C4)(C)C)C5=CC=C(C=C5)OC)C 1 4.387 3 3 -13.8269530794827 1212564 COC(=O)C1=CC=C(C=C1)C2=NC=C(O2)C3=CC=CC4=CC=CC=C43 1 4.226 1 3 6.57063562196254 1212523 CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=CO4 1 4.666 1 3 -20.4745574685367 1212494 C1=CC=C(C=C1)C=NNC(=O)C2=CC3=CC=CC=C3OC2=N 1 2.768 3 2 -6.31101288488196 1212491 C1CC(=NC1)NNC(=O)C2=CC=C(C=C2)Br 1 1.471 3 1 0 -6.43385744495082 1212483 CCN(CC)CCN1C2=CC=CC=C2N=C1N=CC3=CC(=C(C=C3)OC)OC 1 3.846 4 2 -2.58665943623045 1212428 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 1 4.26 5 3 0 -13.8853332723527 1212426 CC1=CC2=C(C=C1C)N(C=N2)C(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C 1 5.847 3 2 -8.67790137178648 1212425 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N 1 3.46 3 3 -13.7705873552556 1212338 CC1=C(SC2=NC(=NC(=C12)N)SC)C 1 2.599 3 0 -0.275544720455228 1212327 CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)N 1 5.341 3 2 -15.7243202046876 1212264 CC1=NC(=NN1)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 3.62 4 1 -3.46756930989054 1212261 CC1=CC=CC=C1NC(=O)CC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)N(C)C 1 4.218 2 3 -11.9405432040273 1212246 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CC3=CC=C(C=C3)Br 1 3.862 2 1 -2.44255442376303 1212243 C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)Br 1 3.656 2 1 -3.41573464437052 1212198 CC1=CC(=NC(=N1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)OC 1 3.654 3 3 -10.1919481082568 1212190 CC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC 1 3.669 4 2 -15.083100300716 1212182 CC1(C(=O)N(C(C(=O)N1OCC2=CC=CC=C2)(C)C)OCC3=CC=CC=C3)C 1 2.982 2 4 -3.29070766279959 1212146 CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CCC5 1 4.61 4 1 -14.9686672508118 1212122 COC1=CC2=C(C=C1)OC(=NC3=CC(=CC=C3)OC)C(=C2)C4=NC5=CC=CC=C5N4 1 5.104 3 3 14.4620858084957 1212121 COC1=CC=C(C=C1)N=C2C(=CC3=C(O2)C=CC(=C3)OC)C4=NC5=CC=CC=C5N4 1 5.104 3 3 13.7358726611328 1212115 COC1=CC=CC(=C1)N=C2C(=CC3=CC=CC=C3O2)C4=NC5=CC=CC=C5N4 1 5.121 3 2 13.4588053324257 1212044 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=CC3=CC=C(C=C3)OC 1 0.588 6 4 0 -21.8311295681928 1212039 CC1=CC=C(C=C1)NC2=NC(=C(S2)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 3.667 4 1 -8.16482558202949 1212029 CC1=NC2=CC=CC=C2N1CC3=NNC(=S)N3C4=CC=C(C=C4)Cl 1 4.176 5 0 -3.22146309538929 1212000 C1CC2=CC=CC=C2C(=O)/C(=C\C3=CC4=CC=CC=C4C=C3)/C1 1 5.627 0 1 2.80158725885072 1211997 C1CC2=CC=CC=C2C(=O)/C(=C/C3=CC=CC4=CC=CC=C43)/C1 1 5.627 0 1 4.02617112757121 1211993 CC1=CC=CC=C1/C=C/2\CCCC3=CC=CC=C3C2=O 1 5.205 0 1 2.08403189033595 1211939 CC1=NN(C2=NC=C(C=C12)C(=O)C3=C(C=CC(=C3)Cl)O)C4=CC=CC=C4 1 4.413 3 2 4.21776130809895 1211934 CN1C=C2C(=N1)N=CN(C2=O)N=CC3=CC=CC=C3 1 1.144 5 1 0 -3.89628906799053e-002 1211932 CN1C2=C(C=N1)C(=O)N(C=N2)N=CC3=CC=CC=C3 1 1.376 5 1 0 -3.00887141153022 1211817 COC1=CC=CC(=C1)C2=CNC(=O)NC2=O 1 0.45 2 3 0 -3.82702251851833 1211816 CC(C)(C)OC1=NC(=NC=C1C2=C(C=CC(=C2)OC)OC)OC(C)(C)C 1 4.426 2 4 -1.58204110716187 1211815 CC(C)(C)OC1=NC(=NC=C1C2=CC(=C(C=C2)OC)OC)OC(C)(C)C 1 4.426 2 4 -1.18867144331515 1211814 C1=CC2=C(C3=C(C(=O)N2)SC=C3)N=C1 1 1.534 2 1 0 -5.29513160446616 1211811 C1=CC2=C3C=CSC3=CN=C2N=C1 1 1.923 2 0 0 0.343301517298941 1211724 C1=CC=C(C=C1)C(=O)C#CC2=CC(=CC=C2)[N+](=O)[O-] 1 3.719 1 3 -3.06186763296056 1211606 COC1=CC(=C(C=C1)C(=O)OC)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.753 2 5 0 -3.53322763368999 1211604 COC(=O)C1=CC=CC=C1OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.228 2 4 -3.94027468950289 1211603 COC(=O)C1=CC=CC=C1OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.769 2 4 -5.05039635462446 1211576 COC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=CC(=C3)Cl)OC4=NC5=CC=CC=C5N=C42 1 5.02 3 4 0 2.7101156127141e-002 1211574 C1=CC=C2C(=C1)N=C3C(=N2)OC4=CC=CC=C4N3S(=O)(=O)C5=CC=C(C=C5)Cl 1 5.037 3 3 0.46279553244591 1211555 COC(=O)C1=C(C=CS1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.587 1 4 -7.57881488452444 1211550 CC1=C(N2C=CC=CC2=C1C(=O)NC3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 5.187 3 4 0 -6.98396045529187 1211549 CC1=C(N2C=CC=CC2=C1C(=O)NC3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)F 1 5.499 2 2 -4.17768564246938 1211548 CCCC1=CC(=O)N=C(N1)SCC2=CN=CC=C2 1 2.38 3 1 -12.9004337120911 1211540 COC(=O)NC1=NC(=NN1)SC2=C(C=C(C=N2)C(F)(F)F)Cl 1 3.529 5 2 0 -0.644313768740877 1211524 CC1=C(N2C=CC=CC2=C1C(=O)NC3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4 1 5.293 2 2 -5.85362323245638 1211494 C1=CC(=NC(=C1)Cl)NNC(=O)C2=C(N=CC=C2)Cl 1 1.984 4 1 0 -2.71683397268834 1211493 C1=CC(=CC(=C1)Cl)NNC(=O)C2=C(N=CC=C2)Cl 1 3.024 3 1 1.41577643918824 1211474 CSC1=NC=CC(=N1)OC2=CC(=CN=C2)Cl 1 2.727 3 1 -3.35553839917664 1211472 CSC1=NC=CC(=N1)OC2=CC=C(C=C2)C#N 1 3.092 3 1 -2.72511485862545 1211471 CSC1=NC=CC(=N1)OC2=CC=CC(=C2)C#N 1 3.092 3 1 -2.37053310867405 1211470 C1=CN=C(N=C1)OC2=CC=C(C=C2)[N+](=O)[O-] 1 2.026 3 3 -2.22865425468418 1211468 C1=CC(=CC(=C1)Cl)OC2=NC=CC=N2 1 2.796 2 1 1.83994417864987 1211466 C1=CC(=CC(=C1)Cl)OC2=C(C=CC=N2)C(=O)N 1 2.445 2 2 4.37638671538247e-002 1211462 C1=CC=NC(=C1)COC(=O)NC2=CC=C(C=C2)Cl 1 2.906 2 2 -0.633738295391446 1211431 C1=CC(=CC=C1NC(=O)NC2=NC=CN=C2)Cl 1 1.425 4 1 0 -1.55666835578952 1211430 C1=CC(=NC=C1C(F)(F)F)SC2=NNC(=N2)N 1 2.355 5 0 3.95082446007534 1211428 C1=CC(=C(C=C1CSC2=NNC(=N2)N)Cl)Cl 1 3.36 4 0 -1.79259500251017 1211425 CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.359 5 2 0 -10.3813201894663 1211424 CN1C(=NN=N1)SC2=C(C=CC=C2Cl)[N+](=O)[O-] 1 2.359 5 2 0 -9.62984116466344 1211385 C1=CC2=C(N=C1)OC3=C(C=C(C=C3)Cl)N(C2=O)CC4=CC=C(C=C4)F 1 4.392 2 2 6.12273596463055 1211370 C1=CC=C(C=C1)C#CC2=CC=CC=C2N 1 3.192 1 0 5.36824587500142 1211342 C1=COC(=C1)C(=O)C2=CC(=CC(=C2)C(=O)C3=CC=CO3)C(=O)C4=CC=CO4 1 4.228 0 6 -3.80673130960468 1211254 C1=CC=C(C=C1)C2=C(C=C(S2)C(=O)NC3=CC=C(C=C3)Br)CC(=O)O 1 4.79 1 3 -3.75055568563929 1211251 CC1=C(SC(=N1)NC2=CC=C(C=C2)OC)C3=CC=CC=C3 1 3.816 2 1 4.45488161912665 1211247 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC4=CC=CC=C4N3 1 4.495 4 1 -2.24382957541628 1211230 CC1=CC=CC=C1N=C/C=C\2/C(C3=CC=CC=C3N2C)(C)C 1 4.8 2 0 15.7557667254272 1211220 CC1=C(C=C(C=C1)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)N(C)C)C 1 2.146 3 3 -11.7674479185148 1211216 CN(C)S(=O)(=O)N(CC(=O)NC1=CC2=CC=CC=C2C=C1)C3=CC=CC=C3 1 2.082 3 3 -9.61700239290673 1211209 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CN=CC=C3 1 2.456 3 3 -18.0670817237877 1211203 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C4C3)C 1 3.73 4 1 -17.3088277237709 1211201 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCOCC4 1 3.137 5 2 0 -16.0516110680909 1211197 CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C4C3)C)C 1 4.217 4 1 -16.4171466971471 1211194 CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C)CN3CCOCC3)Cl 1 1.942 5 4 0 -20.0916039569742 1211193 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CN3CCOCC3)C 1 2.046 5 2 0 -15.937649335949 1211187 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CCC4=CC=CC=C4C3 1 3.244 4 1 -17.9554366370371 1211186 CC1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)NCC3=CC=C(C=C3)OC 1 3.153 4 2 -16.3596595074586 1211130 CC1=NC(=NC=C1)SCC(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N 1 4.468 4 2 -10.7194426390692 1211139 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3 1 1.919 5 3 0 -13.0183507819369 1211140 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)OC 1 2.147 2 6 0 -17.1554146217475 1211179 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCC2=CC=CO2 1 1.741 2 5 0 -18.2769877923174 1211174 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)F)F 1 2.963 2 4 -11.8691103967066 1211172 CC1=CC=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3 1 4.368 2 3 -20.067626381976 1211170 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=C(C=C3)Cl 1 4.546 2 3 -18.2456276913892 1211169 CC1=CC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3 1 4.361 2 3 -14.468350087619 1211166 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3 1 3.875 2 3 -14.6250042259924 1211159 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.338 2 6 0 -16.5810487536946 1211152 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=CC=C3 1 3.882 2 3 -20.6009138621453 1211151 CC1=CC(=C(C=C1)C)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3 1 4.847 2 3 -16.2469917713141 1211149 CC1=CC(=CC=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3 1 4.361 2 3 -12.5807045342899 1211117 CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C 1 2.496 2 6 0 -18.4926447649325 1211115 C1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CSC3=NC=CC=N3)C4=CC=CC=C4 1 4.185 4 2 -7.30480704579265 1211102 CN1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3 1 2.495 3 3 -10.5521848664928 1211089 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=CN=CC=C2 1 2.064 3 3 -22.0899025809777 1211060 CC1=C(C=CC(=C1C)Br)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 4.387 3 2 -14.0436241349202 1211057 CC1=NC2=C(S1)C=C(C=C2)NC(=O)N(C)C3=CC=CC=C3 1 3.073 3 1 -2.62913111052181 1211053 C1COC2=C(O1)C=CC(=C2)N(CC(=O)NCC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4 1 3.617 2 5 0 -18.1665506615702 1211043 C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br 1 4.359 4 2 -8.85418256493853 1211042 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCCC2=CC=C(C=C2)OC 1 3.52 2 4 -19.9486135382251 1211026 CC1=CC(=O)C=C(C1=NOC2=CC=CC=C2[N+](=O)[O-])C 1 3.344 2 4 -0.364356105159838 1211008 CN(C)C(=O)CSC1=NNC(=O)NC1=O 1 -0.966 4 3 0 -21.3112251448114 1211000 C(C(=O)N)NC1=NNC(=S)NC1=O 1 -1.561 5 2 0 -14.8197435563877 1210990 C1=CC=C(C=C1)C2=NC3=NN=NN3C=C2 1 1.183 5 0 0 -5.01364856920736 1210988 CC1=CC(=NN1C2=NC(=CC(=O)N2)O)C 1 1.006 4 2 0 -8.89320852763103 1210970 C1=CC=C2C(=C1)C=CC3=C2C=C(C(=N)O3)C(=S)N 1 2.692 2 1 -0.372814383833259 1210958 COC(=O)C1=C(N=C(N=C1C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3 1 3.757 2 4 -0.435105557091194 1210928 C1=CC(=CC=C1NN=C(C(=O)NN)S(=O)(=O)C2=CC=C(C=C2)Cl)Cl 1 2.984 4 3 0 -3.42309919027064 1210927 C1=CC=C(C=C1)NN=C(C(=O)NN)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.32 4 3 0 -2.75343438642644 1210901 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=CC=NC=C2 1 2.064 3 3 -20.0910176313444 1210897 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=CC=CO2 1 2.397 2 4 -21.5853273016144 1210875 CC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC(=CC=C2)F)S(=O)(=O)C 1 1.528 2 4 0 -13.9704880045518 1210872 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 4.089 2 5 0 -16.9105503717555 1210859 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2CCCCC2 1 3.49 2 3 -17.5655986398913 1210840 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)N3CCN(CC3)C)S(=O)(=O)C 1 2.388 3 3 -10.3013024513646 1210837 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)C)S(=O)(=O)C 1 3.541 2 4 -14.6675191707563 1210814 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)S(=O)(=O)C 1 2.657 3 3 -17.771923872006 1210808 CN(C1=CC=CC(=C1)NC(=O)CN(C2=CC(=CC=C2)F)S(=O)(=O)C)S(=O)(=O)C 1 0.905 3 5 0 -12.7311143621151 1210756 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.327 3 3 -5.62813189104293 1210762 C1CCN(C1)C(=O)CN2C(=O)/C(=C\C3=C(C=CC(=C3)Br)OCC(=O)O)/SC2=O 1 2.088 2 6 0 -9.81923553361676 1210805 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=CN=CC=C3 1 2.643 3 3 -10.935473090372 1210804 CC(C)NC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(S2)Br 1 2.606 2 3 -13.9227670006506 1210792 CCOC1=C(C=C(C=C1Br)/C=C/2\C(=O)N(C(=O)S2)CC(=O)N3CCCC3)OC 1 2.939 2 5 0 -11.364376421648 1210787 CC1=C(SC=C1)/C=C/2\C(=O)N(C(=O)S2)CC(=O)N3CCCC3 1 2.314 2 3 -9.21604819146236 1210784 C1=CC(=CN=C1)CNC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 0.982 3 3 0 -15.7929349039574 1210778 C1COCCN1C(=O)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 0.442 2 4 0 -11.6742782702668 1210771 C1CCN(C1)C(=O)CN2C(=O)/C(=C\C3=CC=CS3)/SC2=O 1 1.828 2 3 0 -9.91383168786234 1210769 COC(=O)COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CC(=O)N3CCCC3)Br 1 2.314 2 6 0 -14.0608795939189 1210753 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC2=CC=NC=C2 1 0.719 3 3 0 -14.1593888998095 1210746 CCOC1=CC=CC=C1NS(=O)(=O)C2=CC=C(S2)Br 1 3.004 1 3 -4.78462419134012 1210726 CC1=C(C=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)C4=CC=CC=C4)C 1 4.105 3 5 0 -24.9682291708493 1210710 CN(C1=CC=CC(=C1)NC(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)C 1 3.605 3 5 0 -13.0738197350983 1210701 CC1=CC=C(C=C1)CNC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F 1 2.282 2 3 -12.4224450583013 1210681 CN(CC1=CC=CC=C1)C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 3.364 2 5 0 -18.078793677796 1210673 CN(C1=CC=CC(=C1)NC(=O)CN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C 1 2.925 3 6 0 -18.1026027721551 1210669 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C)S(=O)(=O)C3=CC=CC=C3 1 2.609 3 6 0 -17.1838298015254 1210664 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3CC3 1 2.132 2 4 -15.4155094355255 1210653 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC=C2)OC 1 2.071 2 5 0 -15.4848735288681 1210630 COC1=CC=CC(=C1)NC(=O)CN(C2=CC(=CC=C2)F)S(=O)(=O)C 1 1.772 2 4 0 -11.4557848958871 1210602 CCC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)NC(=O)C)S(=O)(=O)C3=CC=CC=C3 1 3.222 3 4 0 -16.8205839315886 1210588 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C2=CC=CC=C2)C3=CC=C(C=C3)F 1 3.307 2 3 -6.81977180962854 1210584 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCCC3=CCCCC3 1 3.97 2 4 -19.292585874305 1210570 COC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(S2)Br 1 2.639 1 4 -2.4927197976322 1210565 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.615 2 5 0 -19.5607043075922 1210558 CN(C1=CC=CC(=C1)NC(=O)COC2=CC=CC=C2OC)S(=O)(=O)C 1 1.55 2 5 0 -12.8093784239243 1210494 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC2=CN=CC=C2 1 0.233 3 3 0 -17.1516777152037 1210425 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=CC=C3F)O 1 2.822 2 4 -3.97695829311154 1210378 CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)CC2=CC(=C(C=C2)OC)OC 1 2.943 2 5 0 -9.55855011685349 1210377 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CC2=NN=C(S2)N 1 0.803 5 4 0 -9.73516364107934 1210299 C1=CSC(=C1)C(=O)NCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.141 2 4 -10.882227762175 1210295 C1C2CC3CC1CC(C2)C3=NNC4=NC(=O)CS4 1 2.361 3 1 -6.20948056921222 1210288 C1C(=O)N(C(=NC2=CC=C(C=C2)C(=O)O)S1)CC3=CC=CC=C3 1 3.301 2 3 -7.48357573704763 1210267 CC(C)(C)C1CCC2(CC1)C(=NC(=S)N2CC#N)NC3=CC=CC(=C3)C(F)(F)F 1 6.073 4 0 -7.65077051339833e-002 1210243 CC1=CC=C(C=C1)N2C(=NN=N2)C3=CN=C(N=C3C(F)(F)F)N4CCCC4 1 3.244 7 0 0 -0.179276703719627 1210239 CN1C=C(C(=O)C2=CC=CC=C21)C3=NN=NN3C4=CC=C(C=C4)Cl 1 3.003 5 1 -5.6335839628109 1210236 C1=CC=C(C=C1)C2=CNC=C2C(=O)C3=CC4=CC=CC=C4C=C3 1 4.754 1 1 5.13939438376201 1210226 CC1=CC=CC(=C1)C(=O)C2=C(C3=CC=CC=C3N=C2)C4=CC=CC=C4 1 5.425 1 1 3.08241899176955 1210219 C1=CC(=CC(=C1)F)N2C(=C(C=N2)C3=NN=NN3C4=CC=C(C=C4)F)C(F)(F)F 1 4.513 6 0 -3.79466205008573 1210218 CC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3N=C2)C4=CC=CC=C4 1 5.425 1 1 2.88711355276775 1210145 CC1=C(C=CC(=C1)N2CCOCC2)/C=C\3/C(=O)N(C(=O)S3)CC=C 1 3.101 2 3 -6.0349153121354 1210019 CC1=C(C=CC(=C1)N2CCOCC2)/C=C\3/C(=O)N(C(=O)S3)C(C)C 1 3.21 2 3 6.32942056245599e-002 1209997 C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Br 1 3.419 3 2 -3.26239977941917 1209937 CCOC(=O)CC1=C(N=C2C(=CNN2C1=O)C3=CC(=CC=C3)Br)C 1 1.741 3 3 0 -7.55677503993222 1209910 CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 1.927 2 5 0 -14.370917636541 1209895 CCN(CC)C1=CC=C(O1)/C=C\2/C(=O)N(C(=O)S2)C(C)C 1 3.254 2 3 -3.83137097587525 1209894 CCN(CC)C1=CC=C(O1)/C=C/2\C(=O)N(C(=O)S2)C(C)C 1 3.254 2 3 -3.83137097587525 1209837 CN(C)C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=O)S2)CC#C 1 3.97 2 2 -1.35065536140791 1209552 CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.951 2 3 -8.57263062957571 1209542 C1CC(=O)N(C1=O)C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC(=CC=C4)Br 1 3.148 3 3 -8.02977119651049 1209530 CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC(=CC=C3)OC 1 2.977 2 3 -10.1471708926196 1209529 C1CN(CCC1C(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)F 1 3.08 2 3 -19.2909603293221 1209517 C1CN(CCC1C(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Br 1 2.023 3 3 -20.4786125722663 1209501 CN1C2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=O)N3)CC4=CC=CC=C4)N(C1=O)C 1 1.8 4 3 0 -10.5595593768875 1209484 CC1=C(C=C(C=C1)C2=CC=C(O2)C=NNC(=S)NC3=CC=CC=C3)[N+](=O)[O-] 1 5.671 4 3 0 -5.63190707082513 1209481 CNC(=S)NN=CC1=CN(C2=CC=CC=C21)CC3=C(C=CC=C3Cl)F 1 5.184 4 0 -7.32301772220959 1209480 CNC(=S)NN=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)Br 1 4.547 3 1 -6.67072747079798 1209476 CCNC(=S)NN=CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C 1 3.686 4 2 -12.1543811571808 1209472 CCNC(=S)NN=CC1=CC(=CC=C1)OCC2=C(C=CC=C2Cl)F 1 5.017 3 1 -9.02901216482912 1209471 CCNC(=S)NN=CC1=CC(=CC(=C1OC)Br)Br 1 4.06 3 1 -1.16932681978563 1209468 C1=CC=C(C=C1)CNC(=S)NN=CC2=CC=C(C=C2)OCC3=CC=CC=C3F 1 5.587 3 1 -8.28205068469172 1209461 CN1C2=C(C=C(C=C2)C=NNC(=S)NCC3=CC=CC=C3)N(C1=O)C 1 3.089 5 1 -15.0062973699926 1209413 C1=CC=C2C(=C1)C(=NS2(=O)=O)N(CC3=CC=CS3)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5F 1 5.363 2 4 -9.18237009505227 1209393 C1=CC=C2C(=C1)C(=NS2(=O)=O)N(CC3=CC=CS3)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Cl 1 5.822 2 4 -8.32193274659609 1209375 C1=CC=C(C(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)OCC4=CC=C(C=C4)C(=O)O 1 4.433 0 5 -1.7117622265493 1209302 CN1C(=O)C(=CC2=CC=C(O2)SC3=CC=CC=C3)C(=O)N(C1=S)C 1 3.813 2 3 1.01500982210443 1209279 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl 1 6.476 2 2 -4.37292311864959 1209213 CN(C)NC(=S)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4 1 4.068 7 0 0 -4.34040212848541 1209202 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 2.446 3 4 0 -16.2401205697249 1209200 CCN1C(=O)CSC1=NC2=CC=C(C=C2)OC 1 2.42 2 2 -5.755129469625 1209199 CN1C(=O)CSC1=NC2=CC=CC(=C2)C(=O)O 1 1.718 2 3 0 -5.98081462934624 1209126 CCC1=C[N+](=CC=C1)C2=C(SC(=N2)[O-])C=NNC(=O)C3=CC=NC=C3 1 2.538 5 2 0 -12.3660573932288 1209058 C1=CC(=CC=C1C2=NNC(=C2)C3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 4.589 3 2 7.63377711247093 1209038 CC1(CC(=C(C(=O)C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)O)C 1 2.922 0 5 -8.16948118438747 1209037 COC1=C(C=C(C=C1)/C=C\2/C3=CC(=C(C=C3COC2=O)OC)OC)OC 1 3.319 0 6 -8.06686098995988 1208835 CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3OC 1 5.045 1 3 -12.9698248488896 1208820 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3C)O 1 4.771 3 3 -18.1174044575139 1208795 COC1=C(C=C(C=C1)C=NNC(=S)N)OC(=O)C2=CC=CC3=CC=CC=C32 1 4.123 3 3 -7.56714991507176 1208776 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=C(C=C2)OC)OC(=O)C3=CC=CC=C3 1 4.288 2 5 0 -9.18335959929878 1208771 CCOC1=C(C=C(C=C1Br)C=NNC(=O)C2=CC=CC=C2)OC 1 3.747 2 3 -8.24741216779918 1208751 CN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC(=CC=C3)Br)N(C1=O)C 1 2.706 4 2 -11.7967819523118 1208750 CN1C2=C(C=C(C=C2)C=NNC(=O)C3=C(C=C(C=C3)Cl)Cl)N(C1=O)C 1 3.286 4 2 -8.06423296617413 1208732 C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)N 1 2.989 3 3 -6.59279357960291 1208727 CC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)NC3=CC(=CC=C3)OC)C)O 1 4.228 3 4 0 -13.1526064875072 1208701 CC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=C4C=CC=C5C4=C(CC5)C=C3)O 1 5.308 3 3 -14.3054332717121 1208700 CC1=C(N(C(=NC1=O)SCC(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2)C5=CC=C(C=C5)F)O 1 5.473 3 3 -12.1627445299974 1208699 C1CC2=CC=CC3=C(C=CC1=C23)NC(=O)CSC4=NC(=O)C=C(N4C5=CC=CC=C5)O 1 4.821 3 3 -14.6641306933791 1208695 CC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)NC3=C4C=CC=C5C4=C(CC5)C=C3)C)O 1 5.754 3 3 -13.0629181497965 1208666 CC1=CC=CC(=C1)C2=NC(=NN2)[N+](=O)[O-] 1 2.416 4 2 4.62379552145488 1208654 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=CC=C(C=C3)Cl 1 3.013 3 2 -13.9806235186144 1208614 C1=CC(=CC=C1CSC2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Cl)C(=O)O 1 4.59 2 4 -13.7170993902527 1208588 CCOC(=O)N1CCN(CC1)C(=O)CSCC2=CC=CC=C2Cl 1 2.517 2 3 -11.4831349872805 1208574 CC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C)S(=O)(=O)C3=CC(=C(C=C3)OC)Br 1 2.964 3 4 0 -12.5148302776464 1208567 C1CN(CCN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3F)C4=CC=CC=C4 1 4.523 3 1 -0.268036237302286 1208558 COC1=C(C=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C)Cl 1 2.234 2 4 -15.0154108352802 1208557 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=C(C=CC(=C3)C)OC 1 4.118 2 4 -14.5437514554394 1208555 C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4 1 4.634 2 1 -8.68129748864222 1208524 C1CCN(CC1)C(=O)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3 1 4.107 1 1 -7.3939536248178 1208515 CC1=C(C=C(C=C1)NC2=NC(=O)CS2)C 1 2.854 2 1 -7.13733224881724 1208498 CC1=C(C2=CC=CC=C2N1C)/C=C\3/C(=O)N=C(S3)NC4=CC=CC(=C4)C(=O)O 1 4.054 3 3 -5.90069032931895 1208481 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CCCC2)C3=CC=CC(=C3)C 1 3.957 2 3 -15.3252179987724 1208410 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OC(=S)N3CCC(CC3)C 1 5.509 2 3 -13.6543406239438 1208355 CCN(CC)CC(=O)N1C2=C(C=CC(=C2)Cl)SC3=C1C(=C(S3)C)C(=O)OCC 1 4.525 2 3 -1.05440593866669 1208354 CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1CNCC3=CC=CC=C3)C4=CC=CC=C4 1 4.941 3 2 1.56262568011861 1208343 CC1=C(C2=C(O1)C=CC(=C2CN3CCOCC3)O)C(=O)C4=CC=C(C=C4)Cl 1 3.867 1 4 3.30608307020143 1208332 CN(C)C1=C2C3=C(C(=O)N(C=N3)C4=CC=C(C=C4)OC)SC2=NC=C1 1 2.88 4 2 -9.84197644007081 1208330 CCN(CC)CCN1C2=CC=CC=C2C3=C1C=C4C=C(C=CC4=N3)[N+](=O)[O-] 1 4.874 4 2 0.535434131367189 1208324 COC1=CC=C(C=C1)N2C=C(C(=O)C3=C2C=C(C=C3)Cl)[N+](=O)[O-] 1 3.55 2 4 0.916757301047245 1208312 COC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)CN4CCOCC4 1 3.04 1 5 3.9446230041804 1208310 CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)CN3CCOCC3 1 1.447 2 5 0 -18.4351892630666 1208294 CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 5.073 1 5 -0.680634171464573 1208293 C1CN(CCN1/C=C\2/C(=O)CNC2=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.057 3 2 -9.11118441031618 1208269 C1=CC=C(C=C1)NC2=C(C(=O)NC=C2C=C(C#N)C#N)C#N 1 0.75 5 1 0 -4.08990703025111 1208250 COC1=CC(=C(C=C1)OC)C(=O)C2=COC3=CC(=C(C(=C32)Br)O)Br 1 4.759 0 5 0.90716972793384 1208225 CC1(CC2=C(CN1C)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3)C 1 4.24 4 1 -20.7663521796218 1208213 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NC4=CC=CC=C4C(=O)N3C5=CN=CC=C5 1 2.578 4 3 0 -5.96223964280296 1208202 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=O)N3CCCN5C=CN=C5 1 1.387 5 3 0 -1.44943142825776 1208170 CCOC(=O)C1=C(N(C2=C1C(=C(C(=C2CC(=O)C)Br)OC)O)C3=CC=C(C=C3)C)C 1 4.997 1 5 -3.28023778598536 1208154 CCN(CC)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=C(C=C3)OC)O 1 4.05 1 4 4.78628079470951 1208126 CCC1(C(=O)NC(=O)N=C1NC2=CC=CC=C2)CC 1 2.581 3 2 -5.56440258475409 1208108 COC1=CC=C(C=C1)P(=O)(COC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC 1 4.877 1 6 0 -3.86748007528728 1208106 CN1C2=C(C(=O)N(C1=O)C)C(N=C(N2)C3=CC=C(C=C3)OC)(C(F)(F)F)C(F)(F)F 1 2.723 4 3 0 -6.51565631616796 1208100 C1=CC=C(C=C1)CC(=O)NC(C(F)(F)F)(C(F)(F)F)NNC2=CC=CC=C2 1 4.396 3 1 -6.89852146663194 1208092 CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC(=CC(=N1)C)C 1 3.848 3 1 -8.12632591903488 1208078 CC(=O)N1C=C(C2=CC=CC=C21)N(C3=CC=CC=C3OC)C(=O)CCl 1 3.532 2 3 -4.38075747599883 1208026 CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)C3=CC=CC=C3CO 1 3.336 1 4 -5.53159726373176 1208020 C1CCN(C1)C2=C(C=C(C=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)F)N5CCCC5)F)C(=O)O)F 1 4.613 3 3 -3.55018811108228 1208004 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCC3)F)C(=O)NN=C(C)C4=CC=C(C=C4)F 1 3.743 4 2 -4.75864291366009 1208000 C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)Br 1 3.554 3 2 -9.27274074065069 1207992 CC(C)(C)NC(=O)C1=NN2C(=CC(=NC2=N1)C3=CC=CC=C3)C(F)(F)F 1 3.799 5 1 -13.6829632301622 1207987 C1CCC(C1)NC2=NN=C(C3=CC=CC=C32)NC4CCCC4 1 3.675 4 0 -5.97040928479047 1207959 C1=CC=C(C=C1)C(=O)C2=C(OC3=C2C(=O)C4=CC=CC=C4C3=O)C(F)(F)F 1 4.841 0 4 0.915849120158693 1207954 COC1=CC2=C(C=C1)N=C(S2)NP(=O)(C3=CC=CC=C3)C4=CC=CC=C4 1 4.527 2 2 -1.2071488489794 1207945 CC(=O)OC1=CC=CC2=CC(=C(C(=C2C1=O)OC(=O)C)OC(=O)C)OC(=O)C 1 1.114 0 9 0 -3.62713887269734 1207936 CC(=O)NC1=CC=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3CCCCCC3 1 3.804 4 2 -4.86424311137449 1207917 COC1=C(C=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N)OC 1 2.433 6 4 0 -17.6704783145852 1207910 C1CC(=O)N(C1=O)CN(CCN2CCOC2=O)CN3C(=O)CCC3=O 1 -1.391 4 6 0 -14.6505072689661 1207863 C1CC2=CC=CC=C2N(C3=CC=CC=C31)NC(=O)C4=CC=CC=C4Br 1 5.768 2 1 -4.59424479890085 1207838 CCN(CC)CC1=C(C=CC2=C1N(C(=C2[N+](=O)[O-])C)C3=CC=C(C=C3)OC)O 1 4.458 3 4 0 4.94896156316398 1207828 CCOC(=O)C1=C(SC(=C1OC)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C 1 4.627 1 5 -2.7684721425713 1207822 CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)C3=CC=CC=C3 1 4.408 1 5 -2.97714927836659 1207794 CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C(=C(C=C2)O)CN(C)C)[N+](=O)[O-] 1 3.761 3 4 0 6.71206749599184 1207791 CC1=CC2=C(C=C1)N(C3=C2CCC4=C3NN=C4)C 1 3.961 3 0 2.52609908854814 1207783 C1CC2=NC3=C(N2C1)C(=O)N(C=N3)CCO 1 -0.144 4 2 0 -1.88288167039643 1207780 CCOC(=O)C1=C(SC2=C1N(C3=C(S2)C=CC(=C3)Cl)C(=O)CCl)C 1 4.354 1 3 -1.61970453458406 1207777 CCOC(=O)C1=C(N(C2=C1C(=C(C(=C2CC(=NO)C)Br)OC)O)C3=CC=C(C=C3)OC)C 1 4.561 2 6 0 -0.518836602711059 1207768 CCOC(=O)C1=C(OC2=C1C(=C(C(=C2CC(=O)C3=CC=CC=C3)Cl)O)O)C 1 4.102 0 6 -3.26535124271921 1207745 C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=NC4=CC=CC=C34 1 3.005 1 2 -2.22859135734477 1207637 COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2)OC 1 5.242 2 3 -10.0408276476967 1207633 C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)COC4=CC=CC=C4 1 5.11 2 2 -6.68335985430175 1207632 C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=S)NC(=O)COC4=CC=CC=C4 1 5.264 2 2 -5.37088891315848 1207621 C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=O)S2)CCNC3=NS(=O)(=O)C4=CC=CC=C43)F 1 2.792 3 4 0 -5.60004155748162 1207620 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NNC3=NS(=O)(=O)C4=CC=CC=C43 1 0.337 4 5 0 -10.7424830958805 1207618 C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=O)NC3=C2C=C(C=C3)Br 1 3.072 1 4 -13.7205796864461 1207605 COC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br)OC 1 3.331 3 3 -11.6698165654318 1207599 CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 3.568 3 3 -12.1213259263145 1207594 C1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=CN=C2)Br)C(=O)O)Cl 1 3.658 3 3 -11.0612964069561 1207591 C1=CC(=CN=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)Br 1 3.835 4 1 -4.74278324311745 1207590 CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 3.945 3 3 -14.1946399481164 1207575 C1=C(C=NC=C1Br)C(=O)NC(=S)NC2=C(C=C(C=N2)Br)Br 1 4.249 4 1 -6.01873950268323 1207572 C1=CC2=C(C=C1NC(=S)NC(=O)C3=CC(=CN=C3)Br)NC(=O)N2 1 2.226 5 2 0 -17.1697369054743 1207504 C1=CC=C2C(=C1)C(=CN2CC(=O)NC3=CC=C(C=C3)F)C=NNC(=O)C4=CC(=CC=C4)C(F)(F)F 1 4.967 4 2 -5.09039448450361 1207502 COC(=O)CN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=C(C=C(C=C3)C#N)F 1 2.974 4 3 0 -9.12933149866562 1207484 CCOC(=O)CN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=C(C=C(C=C3)C#N)F 1 3.323 4 3 0 -9.74160171538867 1207473 COC1=C(C=CC(=C1)C=NNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)OCC4=CC=C(C=C4)C(=O)O 1 4.475 2 6 0 -6.77262392494253 1207472 C1COCCN1C2=CC=C(O2)C=NNC(=O)C3=CC(=CC=C3)C(F)(F)F 1 2.995 3 3 -0.96819114337903 1207440 COC1=C(C(=CC(=C1)C=C2C(=O)OC(OC2=O)C3=CC=CC=C3)Br)O 1 4.06 0 6 6.7123408254772 1207438 CCC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)OC 1 4.924 1 5 -6.12381080969483 1207332 C1C(=O)N=C(S1)NC2=CC=CC=C2Cl 1 2.546 2 1 -5.19143957090804 1207317 COC1=CC=C(C=C1)C2=CN(C(=N2)N)N=CC3=C(C=C(C=C3)Cl)Cl 1 4.622 4 1 14.3695675566599 1207241 CC1=CC=CC=C1C2=CC=CC=C2N 1 3.088 1 0 1.07629662898752 1207205 C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)NCC3=CC=CC=C3)C4=CC=NC=C4 1 3.805 5 1 -19.476434849735 1207193 CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)CC(=O)NC4=CC=CC=C4OC 1 5.002 4 3 0 -11.976555907265 1207175 CC1=CC=CC2=CC3=C(N=C12)SC(=C3N)C(=O)N4CCCC5=CC=CC=C54 1 4.629 3 1 -8.9388995581464 1207158 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)NC4=CC=CC(=C4)C(=O)O 1 4.355 3 3 -4.979062946851 1207099 CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CN=CC=C3 1 2.249 5 1 -17.4816261138526 1207077 CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)OC3=CC4=CC=CC=C4C=C3 1 5.66 2 2 -2.65137718497735 1207071 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC4=CC=CC=C43)CC5=CC=CC=C5 1 5.376 4 2 -17.3554019772184 1207050 CC1=CC(=CC=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O 1 3.788 3 3 -12.577854702657 1207040 CC1=CC=CC=C1NC(=O)CN2C(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.463 4 1 -7.30513528207552 1206996 CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=NC=C4 1 4.524 2 2 -11.5085392092058 1206995 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN=CC=C3)C(=O)C4=CC=CC=C4 1 4.038 2 2 -13.1252730701875 1206972 CC1=CC=C(C=C1)C2=NC3=C(C(=CS3)C4=CC(=C(C=C4)OC)OC)C(=O)O2 1 4.899 1 4 -5.19128398547835 1206968 CCOC(=O)COC1=CC2=C(C=C1)N(C(=C2C(=O)C)C)C3=CC=C(C=C3)OC 1 3.814 1 5 -9.6690463297552 1206967 CCOC(=O)COC1=CC2=C(C=C1)N(C(=C2C(=O)C)C)C3=CC=CC=C3 1 3.83 1 4 -9.77729605999913 1206957 CC1=C(C(=CC=C1)C)OCC2=NC3=CC=CC=C3N2 1 4.078 2 1 -5.18905129364863e-002 1206906 C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=C(C=C3)CC(=O)O 1 4.531 0 2 -0.30762799374078 1206899 C(#N)C1=C(SN=C1Cl)NN 1 0.995 4 0 0 -2.38317753205689 1206896 CC1=CC(=C(N1)C)/C=C\2/C(=O)NC(=S)S2 1 2.226 2 1 2.7942385467901 1206873 CN1CCN(CC1)C(=S)SCC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 3.623 3 3 -7.16001012231623 1206815 CSC1=C(C=CS1)C=NNC(=O)C2=CC=NC=C2 1 1.861 3 1 0 -6.17233868027857 1206721 CC1=C(C(=CC=C1)N2C(=O)CSC2=NNC(=O)C3=CC=C(C=C3)Br)C 1 4.642 3 2 -7.13803956756851 1206720 CC1=CC(=C(C=C1)C)N2C(=O)CSC2=NNC(=O)C3=CC=CC=C3Cl 1 4.558 3 2 -10.6990664925605 1206713 CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NNC(=O)CC3=CC=CC=C3 1 3.39 4 2 -13.2700776548172 1206697 CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)CC(=O)NC3=CC=CC=C3 1 3.442 4 2 -9.06022133659479 1206692 CN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=CC=C3OC 1 3.31 4 2 -16.0315062462934 1206684 CC1=CC=CC=C1OCC2=NN=C(O2)SCC3=CC(=O)NC4=CC=CC=C43 1 3.5 3 3 -18.0493880378807 1206683 C1=CC=C2C(=C1)C=CC=C2OCC3=NN=C(O3)SCC4=CC(=O)NC5=CC=CC=C54 1 3.922 3 3 -18.0516784259983 1206673 CC(C)OC(=O)CSC1=NN=C(N1C)COC2=CC=C(C=C2)[N+](=O)[O-] 1 2.571 4 5 0 -17.0965971141579 1206643 CCOC1=CC2=C(C=C1)N=C(N=C2SCC(=O)OC)C3=CC=CC=C3 1 4.128 2 3 -4.65931799385921 1206642 CC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)CNC3=CC=C(C=C3)F 1 3.82 3 2 -11.1638389846973 1206622 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC(=CC=C3)C 1 3.735 4 3 0 -15.0954471413675 1206607 COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CNC3=CC=C(C=C3)Cl 1 4.016 4 2 -15.116172996532 1206567 CC1=NN(C(=C1C(=O)NC2=CC=CC(=C2)C(=O)C)Cl)C3=CC=CC=C3 1 3.322 3 2 -7.72167487658324 1206525 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)CN3C=NC4=CC=CC=C43)C 1 3.394 5 2 0 -21.7298415328076 1206498 C1CCC(CC1)OC(=O)CN2C(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.906 3 2 -3.37978045290348 1206494 CCC(=O)N1C(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C 1 4.072 4 2 -8.68977060314326 1206485 CC1=C(SC(=C1C(=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3)C 1 4.496 1 3 -4.82156361419284 1206470 CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)Cl 1 3.647 3 1 -1.74841359453542 1206453 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)O 1 2.59 3 4 0 -9.14506859653412 1206344 COC1=C(C=C(C=C1)NC(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C)OC 1 2.492 2 5 0 -14.4487962159672 1206342 CCOC1=CC=C(C=C1)NC(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C 1 2.858 2 4 -10.1580289235648 1206288 CC1=CC(=NN1)C(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)Br 1 3.881 4 3 0 -14.0021895253497 1206157 CC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)/C=C/C3=CC=CO3 1 3.898 1 4 -2.93663467537116 1206155 COC1=CC=C(C=C1)C2=CSC3=C2C(=O)OC(=N3)C4=CC=CC=C4F 1 4.634 1 3 -2.11686778672241 1206154 COC1=CC=C(C=C1)C2=CSC3=C2C(=O)OC(=N3)C4=CC=CC=C4OC 1 4.413 1 4 -3.27410242221379 1206147 COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=CC=CC=C3C(=O)N4CCOCC4 1 2.463 1 5 -5.09557095200064 1206127 CC1(CC(=C(C(=O)C1)C(C#CC2=CC=CC=C2)C3=C(CC(CC3=O)(C)C)O)O)C 1 4.092 0 4 -0.106931391879719 1206118 COC1=C(C=CC(=C1)C=NNC(=O)C2=CN=CC=C2)OC(=O)C3=CC4=C(C=C3)OCO4 1 2.716 3 6 0 -17.0724791613919 1206109 C1=CC=C(C=C1)CCNC(=O)CC2=CC=CC3=CC=CC=C32 1 3.886 1 1 -8.47022577871386 1206102 C1=CC(=CC(=C1)F)/C=C\2/C(=O)N=C(S2)N 1 2.202 2 1 -6.86624763743859e-002 1206031 CCOC1=C(C=CC(=C1)CN2CCN(CC2)C3=NC=CC=N3)OC 1 1.971 4 2 0 0.554120027492389 1205981 CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3)O 1 4.721 1 3 -3.68034169642548 1205893 CC1=NC(=CC=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC(C)C)O 1 3.613 3 3 -2.08060548384381 1205885 COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=CC=C3)O 1 3.994 2 4 -11.0057611828149 1205884 C1COCCN1C(=O)CCCN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=S 1 2.57 2 3 -16.060956583879 1205881 C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC(=C3)C(=O)O 1 3.882 2 4 -15.2996182731631 1205868 C1=CC=C(C=C1)COC2=CC=CC=C2/C=C\3/C(=O)NC(=O)S3 1 3.509 1 3 4.21516782297034 1205867 C1=CC=C(C=C1)COC2=CC=CC=C2/C=C/3\C(=O)NC(=O)S3 1 3.509 1 3 4.21516782297034 1205767 CCOC1=C(C=C(C=C1)/C=C\2/C(=O)NC(=S)S2)OC 1 3.157 1 3 -3.309932638675 1205758 C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=NC=C(C=C5)Cl 1 4.479 3 2 2.61986406044662 1205756 C1OC2=C(O1)C=C(C(=C2)C=NN3C(=NNC3=S)C4=CC=CC=C4)[N+](=O)[O-] 1 3.409 5 4 0 -7.54356083726197 1205755 COC1=C(C(=CC(=C1)/C=C\2/C(=O)N=C(S2)N)Br)O 1 2.486 2 3 0.258913842447421 1205752 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 2.39 2 5 0 -15.8393536992692 1205600 C1=CC=C(C=C1)CCNC(=O)C2=NN3C(=CC(=NC3=N2)C4=CC=CS4)C(F)(F)F 1 4.726 5 1 -13.2206733277587 1205484 C1CCSC(=NC1)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.421 3 3 -11.4612672811282 1205480 CCN(C1=NC(=NC(=N1)NC(C)C)Cl)N(CC)C(=O)C 1 1.52 6 1 0 -7.58309737342385 1205434 COC1=C(C=CC=C1[N+](=O)[O-])/C=C\2/C(=O)N=C(S2)NC3=CC=CC=C3Cl 1 4.321 3 4 0 -3.19645675230804 1205355 CC1=CC(=CC(=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C3=CC=CC=C3)C 1 2.449 2 4 -16.1142811620455 1205313 C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)O 1 1.397 1 6 0 -9.85258296316047 1205308 CN1CCC(CC1)C2(C3=CC=CC=C3CCC4=CC=CC=C42)O 1 3.983 1 1 4.26031241587428 1205301 C1CN=C(N1)NC2=NC3=CC=CC=C3S2 1 1.65 4 0 0 -1.7373355243105 1205262 CC1=CC=C(C=C1)NC(=O)C2(CCCCC2)N(C3=CC=C(C=C3)C)C(=O)CN4C(=NN=N4)N 1 3.314 7 2 0 -20.3234247196412 1205217 CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)N(C3=CC(=CC=C3)OC)C(=O)C4=CC=NN4 1 5.076 4 3 0 -10.5458608438959 1205193 CN1C(=NN=N1)SCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl 1 3.595 5 1 -9.77454075282169 1205147 CCOC1=C(C=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N)OCC 1 3.131 6 4 0 -18.9317876460566 1205039 C1=CSC(=C1)/C=C\2/C(=O)N=C(S2)N 1 1.95 2 1 0 -3.55728287874767 1205038 C1=CSC(=C1)/C=C/2\C(=O)N=C(S2)N 1 1.95 2 1 0 -3.55728287874767 1204991 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(COC3=O)C=C2 1 1.046 2 5 0 -9.79475035927658 1204987 C1=CC=NC(=C1)/C=C\2/C(=O)NC(=O)S2 1 1.22 2 2 0 4.89764094783414 1204945 C1CC1C2=CC(=NN2)C3=NNC(=S)N3C4=C(C=CC(=C4)C(F)(F)F)Cl 1 5.061 5 0 1.91359678240138 1204890 C1OC2=C(O1)C=C(C(=C2)/C=C\3/C(=O)NC(=O)S3)Br 1 2.458 1 4 3.08648921613379 1204826 CC1=CC(=C(C=C1)C)OCC(=O)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl 1 4.459 4 2 -2.07811300754565 1204819 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CN=C2)Br)OC(=O)C3=CC4=C(C=C3)OCO4 1 3.464 3 6 0 -14.8991618946122 1204786 CC1=CSC(=N1)NC(=O)C2=CC=NC=C2 1 0.743 3 1 0 -6.22381371316136 1204696 CC1=CC(=NC(=C1)NC(=O)C2=C(C(=C(C(=C2F)F)F)C(=O)NC3=CC(=CC(=N3)C)C)F)C 1 4.536 4 2 -4.9475192137406 1204670 C1=COC(=C1)C=NNC(=O)C2=C(C=NN2)Br 1 1.562 4 2 0 -5.55050794942343 1204652 CCOC(=O)CN1C2=CC=CC=C2N=C(C1=O)C3=CC=CC=C3NCC4=CC=CC=C4 1 4.161 3 3 -10.0672545858828 1204651 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.887 1 5 -18.0442499153768 1204625 C1C2CC3CC1CC(C2)C3C4=CSC(=N4)NC(=O)C5=CC6=C(C=CC(=C6)[N+](=O)[O-])OC5=O 1 4.209 3 5 0 -8.8616486998694 1204562 C1=CSC(=C1)C=NNC(=O)C2=C(C=NN2)Br 1 2.12 4 1 -6.55056300488039 1204533 CN1C=C(C(=N1)C(=O)NCC(=O)O)[N+](=O)[O-] 1 -0.508 4 5 0 -12.9070583163604 1204416 COC1=CC=C(C=C1)C2=CSC(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.139 3 5 0 0.757388375401779 1204412 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)C3=C(C2=NO)C=C(C=C3)S(=O)(=O)N(CC)CC 1 2.619 3 5 0 -14.0802836188264 1204410 COC1=C(C2=CC=CC=C2C=C1C(=O)OC)C3=C(C(=CC4=CC=CC=C43)C(=O)OC)OC 1 4.843 0 6 -2.29881508325347 1204403 C1=CC(=CC=C1C=C2C(=O)NC(=O)NC2=O)OC3=CC=C(C=C3)[N+](=O)[O-] 1 2.319 3 6 0 -6.2228980389656 1204381 C1COCCN1C(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.178 3 6 0 -20.4384244231927 1204369 CC1=C(C(=CC=C1)C)NC2=CC=C(C=C2)OC 1 4.336 1 1 1.12763017149225 1204365 CC1=NN(C=C1C(=NNC(=O)C2=CC=NN2)C)C 1 0.331 6 1 0 -6.33410712718041 1204355 CC(=NNC(=O)C1=CC(=CC=C1)Br)C2=CC=C(C=C2)Br 1 4.16 2 1 -6.9876997438234 1204323 CSC1=C(N=C(O1)C2=CC=CC=C2)C(=O)N 1 1.749 2 2 0 2.77337038483374 1204298 COC1=C(C(=CC(=C1)/C=C\2/C(=O)N=C(S2)NC3=CC=CC=C3)Cl)O 1 4.185 2 3 -3.12914418481838 1204268 C1=CC(=CC=C1/C=C\2/C(=O)N=C(S2)N)Br 1 2.745 2 1 -1.6599088027901 1204239 CCOC1=CC=C(C=C1)NC2=NC(=O)CS2 1 2.214 2 2 -8.46134804656188 1204237 CC1=C(C=CC(=C1)Br)NC2=NC(=O)CS2 1 3.117 2 1 -6.01947047700884 1204236 CC1=CC(=C(C=C1)NC2=NC(=O)CS2)C 1 2.854 2 1 -6.3635125496806 1204235 CC1=CC(=CC(=C1)NC2=NC(=O)CS2)C 1 2.854 2 1 -7.42378011152041 1204232 CC1=CC=C(N1NC2=NC(=O)CS2)C 1 1.521 3 1 0 -9.4828777103967 1204227 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C=CC3=NSN=C32)C 1 4.226 3 4 0 -10.2249628105979 1204217 CCN1C(=NN=N1)C2=CC(=C(C=C2)OC)S(=O)(=O)NCCC3=CC=CC=C3 1 2.213 5 3 0 -17.8997799421037 1204214 CN1C(=NN=N1)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=C(C=C3)OC 1 1.52 5 4 0 -11.0222674637968 1204212 CCN1C(=NN=N1)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC(=C(C=C3)C)C 1 2.857 5 3 0 -14.769167828904 1204171 C1=CC2=C(C=C1N)N=CN2CCCN3C=NC4=C3C=CC(=C4)N 1 1.49 6 0 0 -0.617402995991807 1204167 CC1(C(=O)N=C(S1)NN=CC2=CC=CS2)C 1 2.7 3 1 -5.91299011194437 1204155 COC1=CC=CC(=C1OC)C=NC2=CC=CC=C2C(=O)NC3=NC=CS3 1 3.175 3 3 -0.3818008626982 1204153 CC(=NOCC(=O)NC1=CC=C(C=C1)Br)C2=CC=CS2 1 3.014 2 2 -6.80575482770118 1204124 C1COCCN1C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4F 1 2.272 4 3 0 -13.0499763254758 1204108 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/3\CCCC3=O)C 1 1.906 4 3 0 -11.6471384046357 1204060 COC1=CC=C(C=C1)/C=C/C(=O)NN2C=NN=C2 1 0.684 4 2 0 -5.39219870471004 1204057 COC1=CC=C(C=C1)C(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N 1 5.033 2 3 -3.14621227064527 1204040 CCOC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)C)S(=O)(=O)C 1 2.402 2 4 -16.5266544110485 1203978 C1=CC=C(C=C1)CN(C2=CC=CC=C2C(=O)N)S(=O)(=O)C3=CC=CC=C3 1 3.109 2 3 -11.9800518579145 1203977 C1=CC=C(C=C1)CNC(=O)CN(C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3 1 3.831 2 3 -20.2883841828368 1203954 COC1=C(C=C(C=C1)Cl)N(CC(=O)OC)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.845 1 7 0 -17.5119932531559 1203947 COC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)C 1 1.405 2 7 0 -20.5957371894128 1203939 COC1=C(C=C(C=C1)N(CC(=O)O)S(=O)(=O)C)OC 1 0.395 1 6 0 -13.9878330885042 1203912 C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)O)C4=CC=CC=N4 1 2.793 2 2 2.38876527786691 1203887 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC(=C(C(=C2)C)Cl)C 1 2.925 2 4 -5.1810691677484 1203823 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 2.552 4 4 0 -4.04704736982208 1203822 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 2.552 4 4 0 -8.27285840890837 1203820 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-] 1 2.374 4 4 0 -9.14354800556109 1203819 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.888 4 4 0 -7.50330603895106 1203818 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.888 4 4 0 -8.83917342802847 1203812 CC(=O)NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-] 1 -0.196 3 5 0 -12.2282030407162 1203811 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NNC(=O)C2=CC=NC=C2 1 0.318 4 5 0 -13.9877695412837 1203808 C1CCC(CC1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.931 3 5 0 -8.86903623049038 1203777 C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.402 1 6 0 -13.7243241064423 1203728 CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)[N+](=O)[O-])Br 1 3.267 5 3 0 -10.1986448724663 1203670 CC1=C(C(=CC=C1)C)C(=NC)C2=CC=CC=C2 1 4.467 1 0 -1.81926204884354 1203650 COCN1C=NC(=C1C2=CC=CC=C2)C3=CC=CC=C3 1 3.531 2 1 0.930244157375369 1203647 CCC1=CC=CC=C1C2C(=O)C3=CC=CC=C3C2=O 1 3.761 0 2 -3.5082315599367 1203641 CC1(CCC(NC(=S)N1)(C)C)C 1 2.283 2 0 -2.59019065248193 1203560 CCC1=C2C(=NN1)OC(=C(C23CCN(CC3)C(=O)C4=CC=CC=C4)C#N)N 1 2.252 5 2 0 -7.88221613625167 1203453 CC(=C1C(=O)C2=CC=CC=C2C1=O)NN(C)C 1 0.879 2 2 0 -2.97200091293434 1203452 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC(C)(C)C 1 4.528 1 2 -9.01569973094658 1203410 CC1=NN(C(=C1C=NNC(=O)C2=CC=C(C=C2)OC)OC)C3=CC=CC=C3 1 3.284 4 3 0 -4.51741067679946 1203360 CC(C)OC(=O)CC12CN3CC(C1=O)(CN(C2)C3)CC(=O)OC(C)C 1 0.759 2 5 0 -13.2118706246394 1203284 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 3.518 3 3 -7.14776012734485 1203235 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NCC5=CC=CC=C5 1 3.311 4 4 0 -8.66128944352488 1203223 CCCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1NC(=O)C4=CC=CO4 1 2.712 3 4 0 -22.6707150448497 1203198 CC(C)CC(=O)N1CCN(CC1)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 2.357 3 5 0 -10.6276559099194 1203197 CC(C)CC(=O)N1CCN(CC1)CC2=CC(=C(C=C2OC)OC)OC 1 2.446 2 4 -9.86951356510146 1203196 CC(C)CC(=O)N1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC 1 2.446 2 4 -7.34024248302776 1203171 CN1C2=C(N=C1OC3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C 1 3.52 4 3 0 -4.44034220054821 1203157 CC1=CC(=C(C(=C1)C)NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3)C 1 4.204 3 1 -2.23410867749998 1203077 CN1C=NN=C1SCC2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 1.944 4 3 0 -16.7381575718761 1203059 CONC1=NC2=NON=C2N=C1NOC 1 -1.068 6 3 0 -9.86098888015601 1203016 CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C2=NCCS2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C 1 6.08 2 4 -7.27864941051042 1203009 CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.786 2 5 0 -14.1345876881206 1203008 C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.613 2 3 0 -9.26698383729239 1202882 CC1=C(C=C(C=C1)C(=O)O)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)Br 1 4.211 1 4 -2.89183225246766 1202821 C1COCCN1C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=C(C=C4)F)C(F)(F)F 1 3.82 4 2 -9.48567339134847 1202790 C1CCN(C1)CC#CC2=CC=C(C=C2)C#CCN3CCCC3 1 4.079 2 0 5.61442932754261 1202781 CC(C)NC1=C(C(=O)OC2=CC=CC=C21)NC(=O)C 1 0.685 2 3 0 -9.03677357819394 1202753 C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)F)NC(=O)C3=CC=C(C=C3)F 1 3.81 2 2 -3.98650776955721 1202740 CC1=C(C(=NC(=C1[N+](=O)[O-])C)Cl)C(=O)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.723 4 4 0 4.7360038827969 1202671 CC1=CC=C(C=C1)C2=NN(N=N2)CC3=NC(=NC(=N3)N)N4CCOCC4 1 1.104 9 1 0 0.696839223634292 1202624 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C3=CC=CC=C3N=N2 1 3.497 4 5 0 -26.822471851295 1202611 COC1=CC=C(C=C1)N2C3=C(CC4=C2CCCC4=O)C(=O)CCC3 1 3.254 1 3 -8.22596102005077 1202570 C1CN(CCN1CC(=O)NN=CC2=CC(=CC=C2)F)C3=CC=CC=C3 1 2.86 4 1 0.365504580568478 1202551 CC1=CC=CC2=NC(=CN12)COC3=C(C4=CC=CC=C4C=C3)Br 1 4.292 2 1 2.27996519570428 1202534 CCOC(=O)C1=CC=C(C=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC(=C(C=C3)OC)O)C(=O)OC 1 2.998 1 8 0 -13.0465964806807 1202508 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=CS3 1 2.733 2 3 -5.21396873018586 1202478 COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NCC3=CC=CO3)OC 1 3.219 2 5 0 -16.7253436182408 1202470 CC1=CC=CC=C1C(=O)NN2C(=O)CSC2=S 1 2.469 2 2 -12.834263202114 1202405 COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC3=CC=CC=C3)O 1 4.387 2 3 -2.39822164984991 1202408 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CN=CC=C3)O 1 2.82 3 4 0 -9.93908717934271 1202439 CC1=CC(=NN1C2=NN=C(N2NC(=O)C3=CC(=CC=C3)Cl)C)C 1 2.354 6 1 0 -7.94133154118312 1202371 COC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-] 1 3.542 3 5 0 -11.2020608473518 1202369 CCN(CC)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 3.644 3 1 -5.95870045648707 1202330 CC1=NON=C1NC(=O)CSC2=NC3=CC=CC=C3N2 1 1.691 5 2 0 -10.5494036584077 1202317 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3 1 3.602 2 3 -16.1830027752387 1202293 CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.811 2 2 -8.47926689421173 1202290 C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CC=NC=C3 1 3.019 1 2 -4.81047565454765 1202286 CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)CN2CCN(CC2)C(=O)C 1 1.165 3 3 0 -10.9571622594431 1202271 C1=CC=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)Cl)N 1 3.179 5 1 -15.6574329140979 1202245 C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NC3=CN=CC=C3 1 2.533 3 2 -9.5099875199843 1202215 C1=CC(=CC=C1C2=CC(=O)NN2)F 1 0.67 2 1 0 -0.575281323053081 1202212 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2C3=CC=C(C=C3)OC)O)CC4=CC=CC=C4 1 5.717 3 4 0 -15.6083588820808 1202193 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3Cl)F)F)Cl 1 4.204 2 2 -2.47308798269215 1202188 COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=NC(=N3)Cl)NC4=CC=C(C=C4)F 1 4.116 6 1 0 3.59537784738302 1202115 CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCCN3C(=O)CSC3=O 1 0.498 4 4 0 -23.5604650247826 1202080 CC(C)(C#CC1=CC=C(O1)C(=O)N2CCC(CC2)(C(=O)N)N3CCCCC3)O 1 1.45 3 4 0 -13.8178030444692 1202077 C1=CC=C2C(=C1)N(C3=NC(=O)C(=NN23)CCC(=O)O)CCO 1 0.387 4 4 0 -14.1348527168825 1202070 CC1=CC=CC(=C1)C(=O)NC2=C(C=NN2C3=CC=CC=C3)C(=O)N4CCN(CC4)C 1 2.823 5 2 0 -7.24853003278056 1202032 C1CC1C(=O)N2CCC3=C(C2)C4=CC=CC=C4N3 1 2.294 2 1 -8.59656093081268 1202013 C1CCC2(CC1)C(=NC(=S)N2C3=CC=CC(=C3)C(=O)O)NC4=CC=CC=C4 1 5.536 3 2 -4.37356845949968 1201998 C1=CC=NC(=C1)SCC(=O)NC2=CC=C(C=C2)NC(=O)CSC3=CC=CC=N3 1 2.963 4 2 -10.6479994774373 1201987 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC)OC 1 2.527 2 5 0 -17.0187889935732 1201985 C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCCCC4 1 3.821 4 2 -10.6091695315155 1201959 CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C\3/C(=O)NC(=S)S3 1 4.008 2 1 1.0578807437961 1201947 C1=CSC=C1/C=C\2/C(=O)N=C(S2)N 1 1.658 2 1 0 -3.87270932377642 1201946 C1=CSC=C1/C=C/2\C(=O)N=C(S2)N 1 1.658 2 1 0 -3.87270932377642 1201934 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O 1 2.061 3 5 0 -10.5900641042097 1201933 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 0.613 3 5 0 -13.0040812017676 1201931 CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3=CC=CC=C3)CN4CCOCC4 1 4.529 3 4 0 0.389895497215083 1201904 C1CC2=C(C1)N=C3C(=C2C4=CC=CC=C4)C(=C(S3)C(=O)N)N 1 2.869 3 1 -3.41702634165073 1201903 CC1=CC(=NO1)NC(=O)C2=C(C3=C(C4=C(CCC4)N=C3S2)C5=CC=C(C=C5)OC)N 1 3.774 4 3 0 -13.6078252515394 1201889 CN1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)Cl)C#N)C4=CC=CS4 1 5.649 3 0 -8.06570154376218 1201888 CC1=CC(=CC=C1)CSC2=NC3=C(CN(CC3)C)C(=C2C#N)C4=CC=CS4 1 5.471 3 0 -9.39331577927782 1201887 CC1=CC(=CC=C1)CSC2=NC3=C(CCC3)C=C2C#N 1 4.773 2 0 -11.1192842168742 1201836 CC1=CC(=CC=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CS3)C#N 1 4.852 4 0 -9.57596670187151 1201829 COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCCC3=CC=C(C=C3)Cl 1 5.198 3 2 -9.07508712417564 1201823 COC1=CC=C(C=C1)CCNC(=O)CSC2=C(C=CC(=N2)C3=CC(=C(C=C3)OC)OC)C#N 1 4.501 3 4 0 -16.5572840515971 1201780 COC1=C(C=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=C(C(=CC=C3)OC)OC)C(=O)OC)OC 1 2.898 1 8 0 -15.1895987594963 1201760 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)Cl 1 3.894 6 2 0 2.05718187970022 1201743 COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)OC)OC)OC 1 2.875 0 7 0 -15.0834424317478 1201739 CC(=O)OCCC1=C2C=CC=CC2=C(C3=CC=CC=C31)CCCN(C)C 1 4.593 1 2 -1.60749006273629 1201721 CN(C)C(=O)C1=C(C=CC(=C1)F)SC2=C(C=CC(=C2)Cl)Cl 1 4.896 1 1 0.422529773932907 1201681 CNC1=CC=CC=C(C1=O)C2=NC3=CC=CC=C3C=C2 1 2.608 2 1 -1.52808065891983 1201669 CC1=NNC(=S)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)Cl 1 3.952 4 1 6.44251480661175e-002 1201626 CC1=C(C(=C(N1C)C)C(=O)C)C2=CC=C(C=C2)OC 1 2.662 1 2 -1.09948390548171 1201615 C1CNC(=C(C(=O)C2=CC=CC=C2)N3C=NC=N3)N1 1 0.466 5 1 0 -12.6831703864007 1201586 CC1(/C(=C/NC2=CC=CC=C2)/C(=O)C(O1)(C)C)C 1 2.197 1 2 -1.73055361268516 1201565 CC1=NNC(=S)N1N=CC2=CC=CC=C2 1 2.083 4 0 -4.8323668792965 1201556 C1=CC(=CC(=C1)Cl)C(=O)NC2=NC=CC=N2 1 2.021 3 1 -3.92031339923287 1201554 CC1=CSC(=N1)C2=CN=CC=C2 1 1.342 2 0 0 0.681177981554834 1201476 COCC1=C(N=NN1C2=NON=C2N)C(=O)N 1 -0.963 7 3 0 -21.579216096965 1201475 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C 1 0.503 6 3 0 -23.1158725637587 1201467 CC1=C(N=NN1C2=NON=C2N)C(=O)O 1 -7.2e-002 6 3 0 -20.7671145391638 1201458 C1CC2=CC=CC=C2C(=C3CCNCC3)C4=CC=CC=C41 1 4.271 1 0 -3.1759546642928 1201420 CC1=C(SC(=N1)N)C(=O)NN 1 -0.836 4 1 0 -0.772205418770035 1201367 CCOC(=O)CSC1=NNC(=S)S1 1 2.694 2 2 -13.6299426765575 1201366 CCSC1=NNC(=S)S1 1 2.987 2 0 -5.98955931069969 1201320 C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O 1 4.095 1 4 -11.0608635368658 1201252 C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C/3\C(=O)N(C(=S)S3)CCC(=O)O 1 4.344 1 4 -14.5915364889553 1201178 C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)O 1 0.951 1 4 0 -2.56135195207975 1201156 C1=COC(=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O 1 2.493 1 4 -12.4698687663295 1201148 C1=CN=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O 1 1.626 2 3 0 -13.6274389180196 1201125 COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O 1 2.76 1 4 -13.8541550450256 1201110 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=S)S2)CC(=O)O 1 2.996 1 3 -3.38607922277777 1201106 CN(CCO)/C=C\1/C(=O)CNC1=O 1 -1.635 2 3 0 -3.57833129222623 1201004 CN(C)C1=CC=C(C=C1)NC2=CC(=NC=N2)Cl 1 3.176 4 0 -1.30513340298708 1221347 CCSC1=NN=C(S1)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 3.731 4 2 -19.4741660069567 1221304 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(C=C4)OCCO5 1 4.517 2 4 -6.9596184574664 1221316 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC3=CC=CC=C32 1 2.218 2 4 -9.09001832468986 1221222 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=C(O3)Br 1 3.042 2 2 -1.64815555827507 1221234 CCSC1=NN=C(S1)NC(=O)C2=C(N=CC=C2)Cl 1 2.243 4 1 -12.5076914008692 1194977 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl 1 3.436 3 3 -6.48902883504916 1194679 C1COCCN1C2=CC=C(C=C2)NC3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)F 1 4.775 4 1 2.84012235606592 1194670 CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)O 1 4.417 2 3 -2.89843185900718 1194630 C1COCCN1CC(=O)NC2=NC=C(S2)CC3=C(C(=CC=C3)Cl)Cl 1 2.814 3 2 -7.98626035864333 1194618 CC1=CC(=C(C=C1)C(C)C)OCC(=O)C2=C(OC3=CC=CC=C3C2=O)O 1 4.697 0 5 0.797046425929355 1194581 COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)OCC2=CC=CC=C2Cl 1 2.943 1 6 0 -13.3731038494062 1194569 C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NCC3=CC=CO3)C4=CC=CC=C4 1 4.382 3 2 -10.9910377157515 1194512 CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3CCCCC3 1 4.48 2 5 0 -2.82774721581446 1194498 C1=COC(=C1)C(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl 1 4.77 1 4 -5.90082421052951 1194340 COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 2.068 4 4 0 -12.0028727704161 1194335 CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)COC2=CC=C(C=C2)OC 1 2.066 1 6 0 -11.966427684297 1194328 CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NN=C4N3C=CC=C4 1 4.111 4 1 -13.262820636876 1194308 C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)O 1 4.236 2 6 0 -12.4993162306004 1194284 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C 1 4.458 1 7 0 -12.0402349893218 1194279 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=NN=C(S3)C(C)C 1 2.83 3 4 0 -15.3341093595542 1194142 CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Cl 1 4.927 4 1 -9.63938089568575 1194084 CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.487 3 4 0 -21.5442926996991 1193906 CC(=O)C1=C(C=CC(=C1)OC(=O)C2=CC=NC=C2)OC(=O)C3=CC=NC=C3 1 2.132 2 5 0 -12.481293756315 1193528 CC(C)C1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3 1 4.756 2 3 -12.4973224881666 1193515 CC1=CC(=C(C=C1)C)OC2=COC3=C(C2=O)C=CC(=C3)OCC(=O)NC4=CC=CC=C4C(C)C 1 5.439 1 5 -8.75303869566197 1193507 CCC1=CC=CC=C1NC(=O)COC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=C(C=CC(=C4)C)C 1 5.187 1 5 -9.99848639973149 1193467 COC1=CC(=C(C=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3)OC 1 3.125 3 3 -1.06124327033005 1193437 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Br 1 3.074 3 4 0 -7.39036491274473 1193429 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Br 1 3.239 3 3 -7.09018921066232 1193365 CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCC)OC(=O)C2=CC=CO2 1 3.5 1 6 0 -14.2430919200457 1193364 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 3.665 2 5 0 -12.8364078480842 1193361 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)COC3=C(C=C(C=C3)Cl)C 1 5.518 1 4 -5.52858966920978 1193358 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)COC3=CC(=CC=C3)Cl 1 5.032 1 4 -7.91169750272028 1193356 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)COC3=CC(=C(C=C3)Cl)C 1 5.518 1 4 -8.60823727921436 1193352 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)C3=CC4=CC=CC=C4O3 1 5.127 1 4 -4.32134836267544 1193297 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN(C=N2)CC3=CC=CC=C3 1 2.499 5 3 0 -19.0443966550498 1193278 CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NC(=O)CCN4C(=O)C5=CC=CC=C5C4=O 1 4.242 3 3 -1.98322446901517 1193255 CC1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)N4CCOCC4)C5=CC=CC=C5 1 4.715 4 1 1.02092467014394 1193249 C1=CC=C(C=C1)CCNC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4 1 3.517 3 2 -15.1612342135851 1193083 COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)/C=C/C4=CC=C(C=C4)F 1 4.741 0 6 -7.34496900838006 1193009 CCOC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C 1 2.268 4 5 0 -14.3276184908833 1193007 CCOC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.487 2 5 0 -11.2170355113391 1192954 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3 1 2.502 2 3 -0.876484689187502 1192842 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NCC4=CC=CO4)C=CC=C3C1=O 1 1.924 2 4 0 -11.1119507877332 1192839 CN1CCN(CC1)N=CC2=C3C=CC=CN3C(=N2)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.531 6 2 0 0.60534598867531 1192838 CN1CCN(CC1)N=CC2=C3C=CC=CN3C(=N2)C4=CC=CC=C4Cl 1 3.301 5 0 3.20012878623506 1192833 CN1CCN(CC1)N=CC2=C3C=CC=CN3C(=N2)C4=CC=C(C=C4)Cl 1 3.301 5 0 5.75328567266785 1192821 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NCC4=CC=CC=N4)C=CC=C3C1=O 1 1.806 3 3 0 -10.6544153341681 1192820 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NCC4=CC=CC=C4)C=CC=C3C1=O 1 2.742 2 3 -8.54502323162852 1192814 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=NC(=CS4)C)C=CC=C3C1=O 1 2.015 3 3 -7.73923388304614 1192770 CCOC(=O)C1=C(OC2=C1C3=C(C4=CC=CC=C42)OCN(C3)CCCC(=O)O)C 1 0.266 1 6 0 -7.88283134417319 1192733 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC(=S)NCC3=CN=CC=C3 1 3.76 4 2 -17.4181407481144 1192732 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=CC=CC=C3OC 1 4.96 3 3 -13.6882531752736 1192594 COC1=C(C=C(C=C1)CCNC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)OC 1 3.193 3 4 0 -16.4598345602362 1192600 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCOCC3)C4=CC=CC=C4 1 1.36 3 3 0 -15.2459394433303 1192603 CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCC3=CC=CO3)C4=CC=CC=C4 1 2.231 3 3 -18.7305161858917 1192581 C1COCCN1C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)F 1 1.42 3 3 0 -10.2202178513142 1192556 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC4=C(C=C3)OCCO4)F 1 3.761 2 4 -1.75458578312764 1192552 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)NC4=CC=CC=C4 1 4.696 4 2 -2.43148289815213 1192546 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)N4CCC(CC4)C 1 4.477 4 2 -3.13485140718613 1192545 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)N4CCOCC4 1 2.995 4 3 0 -3.31553933588997 1192537 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=C(C=CC(=C3)Cl)OC 1 3.794 3 3 -1.65568987953712 1192536 CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C(=O)OC 1 3.001 3 4 0 -4.64516653376381 1192535 CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C(=O)OCC 1 3.35 3 4 0 -4.45225087282768 1192524 CCOC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)N3CCCCC3 1 3.861 2 3 -7.3894150477215 1192521 CCOC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.487 2 5 0 -13.5605200529592 1192514 CCOC1=CC=CC=C1OCC(=O)NC2=NC(=CS2)CC(=O)OCC 1 2.447 2 5 0 -13.9692787621738 1192507 CCC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3 1 3.268 3 4 0 -7.69295457216572 1192504 CCC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 3.227 3 5 0 -10.2397161348821 1192397 CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC(=O)O)C(F)(F)F)C 1 4.262 0 6 -4.72846893850006 1192187 COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(=O)N4CCCCC4 1 2.802 1 6 0 -11.0084706850921 1192056 CC1=C(SC(=C1C(=O)N)NC(=O)/C=C/C2=CC=C(C=C2)OC)CC3=CC=CC=C3 1 4.185 2 3 -4.93086717383324 1191916 CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 3.973 5 4 0 -7.63497141450519 1191912 CCOC(=O)C1=CN=C2C(=C(C=CC2=C1NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)Cl)C 1 4.151 5 4 0 -4.55741837722677 1191881 C1CN(CCN1CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5 1 4.63 4 0 12.2905299728459 1191851 CCC1=CC=CC=C1NC(=O)COC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=C(C=C4)OC 1 4.682 1 5 -6.3338957751812 1191823 C1COCCN1C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br 1 1.963 3 3 0 -10.566755931294 1191798 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4 1 3.52 3 4 0 -17.3593743142111 1191797 C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)O 1 3.474 2 3 -2.71681016143647 1191742 C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)SCC(=O)O)Br 1 3.941 2 2 -8.53591763367755 1191721 C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC=C(C=C4)F 1 5.5 2 0 -3.22847491507765 1191647 C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3 1 3.562 2 3 -11.9037411221214 1191641 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=CC3=CC=C(C=C3)N(C)C 1 3.063 6 1 0 -18.5766357825885 1191640 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=CC3=CC=C(C=C3)Br 1 3.649 5 1 -15.5500104584905 1191626 COC1=C(C=C(C=C1)CCNC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl)OC 1 3.192 2 4 -4.588002068038 1191580 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4 1 1.913 4 5 0 -16.6692406860251 1191566 COC1=CC(=C(C=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl)OC 1 3.142 2 4 -2.66023917928709 1191565 COC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl 1 3.158 2 3 0.760852185531541 1191454 CCOC(=O)C1=CN=C2C(=C1NCCN3CCOCC3)C=CC=C2C(=O)OC 1 1.711 3 5 0 -8.82585236156116 1191391 C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OC(=O)C4=CC=CC=C4[N+](=O)[O-] 1 4.203 1 6 0 -16.2665948682341 1191331 C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl 1 3.075 3 2 4.21914634220061 1191328 COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)CC4=CC=CC=C4 1 3.052 3 3 0.459852605583869 1191314 CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=C3)C 1 4.214 2 3 -12.2384632794354 1191313 C1=CC=C(C=C1)CNC(=O)COC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Cl 1 3.905 2 3 -11.4156394290073 1191225 CC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3 1 4.048 2 3 -11.4540555216998 1191210 C1CCC2=C(C1)C3=CC(=C(C=C3OC2=O)OC(=O)C4=CC=CS4)Cl 1 5.383 0 4 -13.4255838368924 1191208 CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3 1 1.686 3 4 0 -15.2349433315839 1191206 CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=CO3)C 1 2.107 0 5 -2.83298820235926 1191191 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC4=CC=CC=C43 1 3.385 2 3 -22.5385705713651 1191184 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)C 1 2.195 4 5 0 -15.0760839819088 1191178 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O)C 1 1.57 5 5 0 -20.5760396243754 1191034 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=CC=C4)C(=O)NC5CCCCC5 1 3.463 5 2 0 -19.5870311011194 1191033 C1CCC(CC1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCC5=CC=CC=C5 1 3.017 5 2 0 -19.2307247267237 1190985 CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)/C=C/3\C(=O)NN(C3=O)C4=CC=CC=C4)C 1 4.391 3 2 -3.42670326754866 1190960 C1=CC=C(C(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3S2)C(=O)O 1 3.332 3 3 -10.2243515658096 1190955 COC1=CC=C(C=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)C4=CC=C(C=C4)OC)N 1 4.603 2 3 -1.79254344349748 1190725 C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 4.482 3 4 0 -19.6849741845393 1190699 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 4.64 1 4 -2.92154707202421 1190687 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)N3CCCCC3 1 3.176 2 4 -12.5583679872939 1190686 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CO3 1 2.818 2 5 0 -16.757577266249 1190602 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCCC3=CC(=C(C=C3)OC)OC)OC 1 3.884 2 5 0 -6.12597896364074 1190587 CCOC(=O)C1=CN=C2C(=C1NC3=CC4=C(C=C3)OCCO4)C=CC=C2OC 1 3.539 2 5 0 -4.45460268959429 1190573 CCOC(=O)C1=CN=C2C(=CC=CC2=C1NCCC3=CC(=C(C=C3)OC)OC)C 1 4.387 2 4 -7.52977385022463 1190554 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)N4CCOCC4)C 1 4.106 3 3 1.00919991161855 1190550 CCOC(=O)C1=C(C2=CC=CC=C2N=C1)NCCC3=CC(=C(C=C3)OC)OC 1 3.901 2 4 -5.1189330302888 1190549 CCOC(=O)C1=C(C2=CC=CC=C2N=C1)NC3=CC=C(C=C3)N4CCOCC4 1 3.62 3 3 0.972710171679142 1190539 C1COCCN1CCNS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3Cl 1 2.792 2 4 -5.19216343406273 1190535 CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3OC 1 2.796 2 4 -14.4711270006652 1190534 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3OC 1 2.448 2 4 -12.8644710972144 1190523 CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NC2=CC=C(C=C2)Br)C(=O)OC 1 3.341 1 6 0 -6.77202758826578 1190522 CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C(=O)OC 1 2.834 2 7 0 -13.5439322707904 1190499 CCOC(=O)C1=CN=C2C(=C(C=CC2=C1NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)C)C 1 3.973 5 4 0 -5.7498014728968 1190493 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3F 1 1.616 3 3 0 -15.444387590332 1190491 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F 1 2.765 2 3 -12.766121489648 1190474 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC 1 0.173 4 4 0 -14.3767715361234 1190452 C1CN(CCN1S(=O)(=O)C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C(F)(F)F 1 3.415 2 4 -11.6561430612784 1190430 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=C2C(=CC=C3)O 1 2.576 2 5 0 -11.7559295553635 1190420 C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4 1 1.765 2 5 0 -18.7258619276341 1190415 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4 1 1.296 4 4 0 -24.2827476723068 1190412 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4 1 1.083 4 4 0 -21.5825108636523 1190394 C1CN(CCC1C(=O)NC2=NC=CC(=C2)Cl)S(=O)(=O)C3=CC=CS3 1 2.043 3 3 -8.59065046629331 1190372 C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4 1 2.249 3 3 -11.7318412976304 1190351 C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CS4 1 2.277 2 3 -18.9455296757948 1190339 C1CN(CCC1C(=O)N2CCOCC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 0.415 3 6 0 -21.2390544864884 1190260 CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CN3CCOCC3 1 2.106 2 4 -13.28945426818 1190256 CC1=CC2=C(C=C1C)N(C=N2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5 1 5.44 4 0 -0.17732181810528 1190250 COC1=CC(=CC(=C1OC)OC)C=NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4 1 3.81 3 4 0 -6.5022273181308 1190248 C1=CSC(=C1)C2=CSC3=C2C(=O)N(C=N3)N=CC4=CC=C(C=C4)OC(F)F 1 4.665 3 2 -0.82900410935691 1190244 CC1=C(SC2=C1C(=O)N3C(=N2)C4=CC=CC=C4C(=N3)NCC5=CC=CO5)C 1 3.146 4 2 -4.00739876549427 1190241 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C)C)C 1 4.974 4 2 -11.1750489026838 1190235 CCN(CC)C(=O)CSC1=NC=NC2=C1C=C(S2)C3=CC=CC=C3 1 3.966 3 1 -14.0359662686996 1190217 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC3=NS(=O)(=O)C4=CC=CC=C43 1 4.191 2 4 -6.21663087578065 1190210 CCOC(=O)C1=CC(=CC(=C1)N2C=C(C(=N2)C(=O)OCC)O)C(=O)OCC 1 2.855 2 7 0 -3.23072676725453 1190196 CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)C3=CC4=C(C=C3)OCO4 1 4.591 1 4 -1.28410053107814 1190189 CC1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=C4F)C5=CC=CC=C5 1 5.312 4 0 4.73783881901032 1190178 C1COCCN1CCNC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.066 3 2 -8.19112754128762 1190175 CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=CC=C(C=C3)N4CCOCC4 1 3.824 3 5 0 -2.62327025428683 1190108 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)N5CCOCC5 1 4.796 4 1 11.828358421333 1190076 CCC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)CC)O 1 3.025 1 5 -11.4293237365252 1190011 C=CCN1C(=O)C2=C(N3C1=NN=C3NC4=CC=CC=C4)SC5=C2CCCC5 1 3.919 5 1 -18.4668951123371 1190049 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(F)(F)F)OC 1 3.991 1 3 -8.23733154864618 1189923 CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.758 1 6 0 -12.0861802874538 1189921 COC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C4N3C=CC=C4 1 2.893 4 3 0 -27.3501406202244 1189912 CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C)CC=C 1 3.28 2 3 -17.9098260593257 1189893 COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CN3CCOCC3 1 1.757 2 4 0 -13.7508249065642 1189892 CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4 1 5.131 3 3 -10.9695458911864 1189887 C1=CC=C2C(=C1)C(=NN3C2=NC4=CC=CC=C4C3=O)NCC5=CN=CC=C5 1 2.396 5 1 -4.7267038730909 1189795 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)C 1 4.006 3 4 0 -17.0731544922297 1189783 CCOC(=O)C1=C(OC2=C1C3=C(C4=CC=CC=C42)OCN(C3)CC5=CC=CC=N5)C 1 3.897 2 4 -2.9468771224175 1189600 CCC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(=O)NC4=C(C=CC(=C4)C)C 1 5.187 1 5 -10.7095451499463 1189596 CCOC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3 1 3.895 2 4 -12.6350170492201 1189526 C1=CC=C(C=C1)OC(=O)CS(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] 1 3.38 1 5 1.91167301409335 1189521 CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OCC2=CC=CC=C2)[N+](=O)[O-] 1 1.971 1 7 0 -7.54123574066897 1189516 CC(C)(C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCOCC2)NC(=O)N3CCOCC3 1 1.028 4 4 0 -9.19946098532788 1189515 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.347 2 4 -12.4845828383537 1189450 C1COCCN1C2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)Br 1 3.438 4 1 7.83270675279975 1189447 COC1=C(C=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)Br)OC 1 3.555 3 2 3.8438685023928 1189434 COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)CC5=CC=CC=C5 1 4.856 4 1 5.68447078413083 1189431 COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)OC 1 4.687 3 2 1.977337330554 1189416 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=C2C(=O)N(C=N3)CC(=O)NCC4=CC=CO4 1 1.98 4 5 0 -15.7267453223922 1189383 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)CC5=CC=CC=C5 1 5.358 4 0 6.09743699327497 1189337 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)OC)OC 1 2.068 4 5 0 -15.7484167611304 1189333 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)OC)OC 1 4.382 1 5 -8.63805890800125 1189186 CN(C1CCCCC1)C(=O)/C=C/C2=CC(=C(C=C2)OC)Br 1 4.302 1 2 -4.24501415149276 1189161 CC1=C(C(=C(C=C1)C)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C 1 4.428 3 4 0 -4.66408246564958 1189156 CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 4.796 3 3 -2.84690908121716 1189154 COC1=C(C(=CC=C1)OC)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 3.101 3 5 0 -6.34854261966621 1189148 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC(=CN=C2)Br 1 2.09 3 4 0 -8.29020793690116 1189117 CC1=CC(=C(C=C1Cl)OC)NC(=O)COC2=CC=CC=C2[N+](=O)[O-] 1 3.478 2 5 0 -10.5609307670536 1189074 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 2.858 3 3 -5.68114844739483 1188931 COC1=C(C=CC(=C1)/C=C/C(=O)N2CCOCC2)OCC3=CC=CC=C3 1 2.95 1 4 -11.2182951213014 1188888 COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 2.356 3 4 0 -8.2562059191634 1188869 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O 1 4.303 3 3 -9.19067452700935 1188866 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O 1 3.058 4 6 0 -15.5509597466713 1188836 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O 1 2.991 2 5 0 -12.4733476144409 1188295 CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4 1 3.591 2 6 0 -15.5594411345518 1188281 CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4)C 1 4.231 2 5 0 -17.3534737235354 1188270 C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)C3=CC4=CC=CC=C4O3 1 4.641 1 4 -4.6464154980612 1188261 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O 1 3.019 3 6 0 -22.1094139497697 1188247 C1=CC=C(C=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 2.898 3 3 -11.8730564066489 1188213 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC(=C(C(=C3)OC)OC)OC)CC4=CC=CC=C4 1 6.285 0 6 -8.38092376832116 1188159 CCNS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN=CC=C3 1 1.349 4 3 0 -10.4462125076245 1188153 CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC 1 2.775 3 6 0 -11.9077805241611 1188123 C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC3=CC(=C(C=C3)O)SC4=NC5=CC=CC=C5S4 1 5.728 2 3 0.973328313587254 1188105 CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)C 1 4.32 1 4 -1.74823318052763 1188094 CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)N4CCCC4 1 3.664 3 3 -9.79593737787888 1188035 CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3F 1 3.926 2 3 -11.6972961597694 1188017 C1COCCN1C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.701 3 2 -1.71693849202524 1188014 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.686 4 4 0 -6.66274303820253 1187992 CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)N)C 1 1.931 5 2 0 -16.1094375894931 1187964 COC1=CC=C(C=C1)N2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5 1 4.944 4 1 4.56555862351263 1187953 CC1=C(SC2=C1CN(CN2C(=O)C3=CC=CO3)C4CC(NC(C4)(C)C)(C)C)C 1 3.248 3 2 -9.76831302148766 1187950 CC1=C(SC(=C1CN2CCN(CC2)C3=CC=CC=N3)NC(=O)C4=CC=CO4)C 1 3.519 4 2 -1.44671935216724 1187949 CCOC(=O)N1CCN(CC1)CC2=C(SC(=C2C)C)NC(=O)C3=CC=CO3 1 2.71 3 4 0 -5.78328974397447 1187928 CC(=O)N1CN(CC2=C1SC3=C2CCCC3)C4CC(NC(C4)(C)C)(C)C 1 2.94 3 1 -13.6418320291159 1187827 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=CC3=CN=CC=C3 1 0.945 5 3 0 -18.8034654282297 1187826 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=CC3=CC=C(O3)C 1 1.636 4 4 0 -19.3051334014371 1187821 C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)N=CC5=CC=CC=N5 1 3.683 4 0 1.47494321372482 1187818 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=CC=C4OCC(=O)O 1 4.469 4 5 0 -25.451560692008 1187792 C=CCN1C(=NN=C1SCC(=O)NC2=NC=C(S2)CC3=C(C=CC(=C3)C(F)(F)F)Cl)C4=CC=NC=C4 1 4.959 6 1 0 -12.6830577049334 1187790 CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4)Cl 1 4.503 6 1 0 -17.6424792137125 1187788 C=CCN1C(=NN=C1SCC(=O)NC2=NC=C(S2)CC3=C(C=CC(=C3)Cl)Cl)C4=CC=NC=C4 1 4.681 6 1 0 -13.5891472155672 1187786 C=CCN1C(=NN=C1SCC(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br)C4=CC=NC=C4 1 4.101 6 1 0 -16.9219010412272 1187615 COC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC=NC4=CC=CC=C43)OC 1 4.239 3 4 0 -5.07756122793782 1187613 C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)OC(=O)C4=CC=CC=C4Cl 1 4.936 3 2 2.32379882103758 1187612 CC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)NC3=NC=NC4=CC=CC=C43 1 4.758 3 2 0.270937230537535 1187561 CCOC(=O)C1=CN=C2C(=CC=CC2=C1NC3=CC=C(C=C3)N4CCOCC4)C 1 4.106 3 3 -1.43813064825669 1187531 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)N5CCOCC5 1 4.796 4 1 8.8208716014121 1187483 CCOC1=CC=CC=C1NC2=NC(=O)C(=NN2)C 1 1.255 4 2 0 -8.76353954977253 1187421 C1=CC=C2C(=C1)C=CC=C2NC3=NC=NC4=C3C=C(C=C4)Br 1 4.497 3 0 8.53178740648305 1187414 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=CC=CC=C43 1 3.412 4 3 0 -12.7038586947935 1187347 CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C 1 2.573 3 5 0 -17.6001568990296 1187340 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3Cl 1 3.373 3 4 0 -14.2769366433628 1187331 C1CC(CCC1CNS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O 1 2.863 1 4 -12.7527725473604 1187253 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4 1 3.21 5 2 0 3.09935944847172 1187251 C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.361 4 2 4.7364151736138 1187250 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC(=C4)C(=O)O 1 3.984 4 4 0 4.88579926445622 1187249 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O 1 3.984 4 4 0 4.53084694410983 1187242 COC1=CC=CC=C1NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-] 1 4.338 4 3 0 5.1772977619983 1187240 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC(=CC=C4)O 1 4.112 4 3 0 10.2305107619456 1187196 CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCC3=CC=CC=C3 1 3.945 2 3 -3.27824770198963 1187118 CC1=CC(=C(C=C1)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4 1 5.01 0 5 -9.73882373479668 1187063 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CCN3CCOCC3 1 2.385 2 5 0 -8.27647080500988 1186811 C1=CC=C2C=C(C=CC2=C1)OC3=COC4=C(C3=O)C=CC(=C4)OC(=O)C5=CN=CC=C5 1 3.842 1 5 -8.9638322171655 1186776 COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3CCOCC3 1 1.917 2 4 0 -18.1766017352012 1186764 CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NS(=O)(=O)C4=CC=CC=C43 1 3.57 2 4 -15.1744843066894 1186757 C1COCCN1CCNC2=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C52 1 1.789 5 2 0 -4.38162190879121 1186753 CCN1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)OC 1 3.621 4 1 3.00188345537327 1186741 CCN1CCN(CC1)C2=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C52 1 2.475 5 1 -3.40627113312278 1186737 CCOC(=O)C1=NN(C=C1O)C2=C(C(=C(S2)C(=O)OC)C)C(=O)OC 1 2.722 2 7 0 -7.97608648517061 1186707 CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NN=NN2C3=CC=CC=C3 1 2.928 5 3 0 -21.9816534580583 1186687 CC1=C(C=C(C=C1)OCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)C 1 3.174 1 5 -9.41619396133206 1186686 CC1=CC(=CC(=C1)OCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)C 1 3.174 1 5 -9.47825532527015 1186683 COC1=CC=C(C=C1)OCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.185 1 6 0 -9.78852475651005 1186677 COC1=C(C=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)OC 1 2.333 1 6 0 -13.3048358934546 1186420 C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)Cl 1 3.568 5 2 0 3.21650165786144 1186390 C1CCN(CC1)C(=O)OC2=C(C=C(C3=C2N=CC=C3)Br)Br 1 4.399 2 2 0.544919115324604 1186382 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N4CCOCC4 1 2.622 3 2 -10.2002248851114 1186363 COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)C(=O)O 1 3.438 0 6 -0.319425748316561 1186357 CC1=CC(=NC2=C1C(=C(S2)C(=O)C3=C(C=C(C=C3)Cl)Cl)N)C 1 4.786 2 1 0.661245106304487 1186342 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 3.239 2 6 0 -11.5144294075271 1186340 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 3.256 2 5 0 -11.8154355603456 1186319 CC1=CC=C(N1N2C=NC3=C(C2=O)C(=C(S3)C)C)C 1 2.59 3 1 -7.9786587807229 1186318 CC1=C(SC2=C1C(=O)N(C=N2)N=CC3=CC=CO3)C 1 2.415 3 2 -6.63720577219763 1186303 CN(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 2.261 4 3 0 -12.7636339963915 1186276 CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.857 4 1 -9.50568476157649 1186229 CC(=O)NC1=CC(=CC=C1)OC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)OC 1 3.833 3 3 -0.242966207696546 1186225 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C5=CC=CC=C5 1 5.447 4 0 5.19173805382974 1186218 CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NCC2=CC=CC=C2)C(=O)OC 1 2.599 1 6 0 -8.55139659858836 1186207 CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)C 1 3.777 4 2 -13.7790345704531 1186205 CC1=NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)N1N4C=CC=C4 1 3.232 3 3 -3.51700963091439 1186195 C1=CC=C2C(=C1)C(=NN3C2=NC4=CC=CC=C4C3=O)NCC5=CC=CC=N5 1 2.611 5 1 -2.97762659329467 1186185 CC1=C(C2=C(S1)N=CN=C2SCC(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5 1 4.898 2 3 -8.74048056713939 1186183 C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCCC3)SC=C2C4=CC=CO4 1 3.28 3 3 -21.8125249663484 1186143 CCC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)SC4=NN=C(C(=O)N34)C5=CC=CC=C5 1 3.664 4 3 0 2.91766012084991 1186128 CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.513 4 2 0.870873963344129 1186125 COC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.165 4 2 1.68737950905217 1186038 CCOC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)N3CCOCC3 1 3.264 2 3 -5.91503629803331 1185998 CCOC1=CC=C(C=C1)/C=C/C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.71 1 4 -11.3266452386826 1185934 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NN=C(S3)CC4=CC=C(C=C4)Cl 1 4.923 4 2 -14.689213283128 1185867 C1COCCN1C2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.328 2 5 0 -9.11772510337338 1185866 C1CCN(CC1)C2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Cl 1 4.557 2 4 -7.52863898066061 1185848 CC1=C(C(=CC=C1)N2C(=O)C(=C(C2=O)Cl)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C 1 2.634 4 3 0 -10.643901517284 1185801 COC1=C(C=C(C=C1)CCNC(=O)COC2=CC=CC=C2[N+](=O)[O-])OC 1 2.639 2 6 0 -15.6076312080261 1185783 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 2.535 3 6 0 -4.53653062995303 1185779 COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CN=C4)Br 1 3.665 1 6 0 -11.1050831215516 1185774 CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CN=C4)Br 1 4.168 1 5 -9.16291150829128 1185647 CC1=CC=CC=C1N2C(=O)C3=C(C2=O)SC4=NC5=C(CCC5)C(=O)N34 1 2.548 3 3 -5.29564902444618 1185611 CC1=C(C(=O)NN1)CC(=O)NN=C(C)C2=CC(=CC=C2)Br 1 0.807 4 2 0 -9.97298474606029 1185608 COC1=CC=CC=C1N2CCN(CC2)N=CC3=C(C=CC(=C3)Br)F 1 4.13 3 1 4.96410370676361 1185607 CC(=O)OC1=C(C=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=C3OC)OC 1 2.928 3 4 0 -2.79000527190054 1185606 C1CN(CCN1C2=CC=CC=C2)N=CC3=C(C=CC(=C3)Br)F 1 4.147 3 0 6.89676463523957 1185601 CCN1C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC=C(S3)C 1 3.787 4 1 -9.24002366586732 1185597 CCN1C2=CC=CC=C2N=C1SCC(=O)NN=C(C)C3=CC=NC=C3 1 2.518 5 1 -13.2022890715728 1185564 C1CC2=CC=CC3=C(C=CC1=C23)C4=NNC(=C4)C(=O)NN=CC5=CC=CC=C5C(=O)O 1 4.504 4 3 0 0.237021344186675 1185555 C1CN(CCN1CC2=CC=CC=C2Cl)CC(=O)NN=CC3=CC=CO3 1 2.625 4 2 -3.19209829701036 1185552 CC1=CC=C(O1)C=NNC(=O)CN2CCN(CC2)CC3=CC=CC=C3Cl 1 2.771 4 2 -3.04882425593098 1185550 C1CN(CCN1CC2=CC=CC=C2Cl)CC(=O)NN=CC3=CC=CC=C3OCC(=O)O 1 -0.34 4 4 0 -6.78734736656793 1185545 CC(=NNC(=O)CN1CCN(CC1)CC2=CC=CC=C2)C3=CC=NC=C3 1 1.395 5 1 0 -4.82732913265317 1185517 CC1=CC=C(S1)C2=CC(=NN2)C(=O)NN=CC3=C(N(N=C3C)C4=CC=CC=C4)C 1 4.119 6 1 0 -2.94046935000366 1185514 CC1=CC=C(S1)C2=CC(=NN2)C(=O)NN=C/C(=C/C3=CC=CC=C3)/C 1 4.271 4 1 -4.05618982707149 1185497 CC1=C(C(=NN1C(=O)C2=CN=CC=C2)C)SC3=CC=C(C=C3)Br 1 4.072 3 1 -0.290634898730011 1185486 CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCC4=CN=CC=C4 1 4.716 4 0 8.18334144785397 1185427 CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.822 3 5 0 -23.1600154023242 1185383 COC(=O)COC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3Br 1 3.091 0 6 -8.78569394779266 1185329 CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C)OC(=O)C3=CC=C(C=C3)OC 1 3.501 0 6 -8.23076763216418 1185328 CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C)OC(=O)C3=CC=CC=C3Br 1 4.266 0 5 -5.98725001763777 1185274 C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)Br)Cl 1 3.649 2 2 -2.81717906110697 1185186 CC1=C(C(=NN1)C)CCC(=O)NN=CC2=C(C(=C(C=C2)OC)OC)OC 1 1.997 4 4 0 -9.99112838859177 1185180 CC(=NNC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl 1 3.904 5 3 0 -3.48990980602524 1185169 CCC1=CC=C(C=C1)C=NNC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.202 5 3 0 -3.1387845926228 1185157 CC(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.454 5 3 0 -2.61588676019207 1185132 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3CCN(CC3)C4=CC=CC=C4OC 1 3.831 5 1 1.07722200338106 1185130 CCN(CC)C1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=C3OC 1 4.036 4 1 -2.85345709186913 1185125 COC1=C(C(=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=C3OC)OC)OC 1 3.127 3 4 0 0.939153063228062 1185121 COC1=CC=CC=C1N2CCN(CC2)N=CC3=C(C(=CC=C3)OC)OC 1 3.144 3 3 1.2563504535709 1185117 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3CCN(CC3)C4=CC=CC=C4 1 3.847 5 0 2.88526446682118 1185116 CC(=O)OC1=C(C=C(C=C1OC)C=NN2CCN(CC2)C3=CC=CC=C3)OC 1 2.928 3 4 0 -1.00336805650178 1185092 CCN1C2=CC=CC=C2N=C1SCC(=O)NN=CC3=C(C=CS3)C 1 4.128 4 1 -10.6146575233384 1185043 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=C3CCC4=CC=CC=C4C3=NN2 1 3.933 4 3 0 -3.72814428100974 1185036 COC1=C(C=C(C=C1)C=NNC(=O)C2=C3CCC4=CC=CC=C4C3=NN2)OC 1 3.933 4 3 0 -7.51061112810982 1185020 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=NNC(=C3)C4=CC=CS4 1 3.973 6 1 0 -5.07421461609599 1184936 CC1=CC(=NC(=N1)SCC(=O)NN=C(C)C2=CC(=CC=C2)[N+](=O)[O-])C 1 2.259 5 3 0 -15.5819045025912 1184934 CC1=C(C(=NN1)C)CCC(=O)NN=CC2=CC(=C(C=C2OC)OC)OC 1 1.997 4 4 0 -13.0495577669621 1184893 CC(=NN1CCN(CC1)CC2=CC=CC=C2Cl)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.644 4 2 0.702422277642445 1184866 C1CCN(CC1)CCNC2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N 1 4.675 5 0 -11.264453703424 1184820 C1=CC=C2C(=C1)C(=O)C(=C(O2)O)CC3=CC(=C4C=CC=NC4=C3O)Cl 1 4.371 1 4 4.45644977059713 1184809 CC1=CC=CN2C1=NC(=C(C2=O)C=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.591 4 4 0 -13.3749712035712 1184793 CCOC1=CC=CC=C1NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl 1 3.186 2 3 -1.40505923904338 1184791 CC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)C4=CC=CC=C4 1 3.643 3 2 -0.813668421212169 1184720 CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 4.749 1 4 -9.25967626644726 1184710 C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=CC=C3 1 4.88 3 1 -7.33322249974304 1184687 CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 2.91 1 6 0 -12.937511964007 1184675 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)NN=CC2=C(C(=CC=C2)OC)OC 1 3.067 3 6 0 -13.657104548857 1184649 COC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=C(C(=C2)OC)C(=O)OC)Cl 1 3.569 1 5 -8.69250789772693 1184642 CC1=CC(=C(C(=C1)C)NC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC)C 1 4.772 1 4 -6.27308234991609 1184632 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)Br 1 3.291 3 1 -3.21393605820507 1184623 CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CN=C2)Br 1 2.794 2 3 -9.94354478122097 1184608 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O)C 1 1.57 5 5 0 -19.0798620218816 1184607 COC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC(=O)O)C(F)(F)F 1 3.273 0 7 0 -4.19622508509735 1184598 CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(=O)O 1 3.518 0 6 -6.56239079458399 1184571 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.832 4 3 0 -12.5196033723002 1184556 CCOC1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2O 1 2.778 3 4 0 -2.07034792609142 1184426 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OC 1 4.656 1 3 -3.76353593315921 1184369 C1=CC(=CC(=C1)Cl)CN2C(=NC=N2)SCC3=CC(=CC=C3)Cl 1 5.375 3 0 -7.99697547527537 1184355 CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC4=CC=C(C=C4)[N+](=O)[O-] 1 5.281 1 5 -9.40786468561273 1184264 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C)C3=CC=C(C=C3)OC)C 1 3.797 2 3 -21.9442313499278 1184262 CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N(C)C)CC4=CC=CC=C4 1 4.876 3 2 -14.6462243189009 1184261 CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N)CC4=CC=CC=C4 1 4.465 3 2 -13.3164664794154 1184259 CC1=C(SC2=C1C(=O)N3C(=N2)C4=CC=CC=C4C(=N3)NC5CCCCC5)C 1 4.24 4 1 -5.01577818016565 1184257 CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NCC4=CC=CS4 1 3.894 4 1 -20.219060855724 1184250 CC1=NC2=C(C=CC=C2OC3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)OC)C=C1 1 5.182 3 2 2.29995901044625 1184248 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CCN3CCOCC3 1 2.887 2 4 -7.93454754450079 1184246 CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4 1 4.551 5 1 -22.7291503459468 1184206 C1COCCN1CC(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)Cl 1 2.15 3 2 -8.38768261223445 1183992 CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=C4N3C=CC=C4)C 1 4.597 4 1 -12.6162117236098 1183978 C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4C(=O)C5=CC=CC=C5C(=O)N4 1 2.209 6 2 0 0.57111943473392 1183914 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC 1 3.053 1 5 -9.62232691219709 1183893 COC1=C(C(=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)OC)Br)OC)OC 1 3.169 1 6 0 -9.77995782456947 1183892 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC 1 3.646 1 5 -7.01579079361753 1183891 COC1=CC=CC(=C1)NC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC 1 3.297 1 5 -5.9349702511691 1183863 CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=C(C=C4)OC)C(=O)C 1 3.398 1 5 -10.7411059151365 1183802 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C)C(=O)C 1 3.469 1 5 -5.69455026589946 1183758 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C)C 1 2.908 4 4 0 -12.3732718016891 1183749 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=CC=CC=C4O3)C 1 2.198 4 5 0 -12.7400271767264 1183489 COC1=CC(=C(C=C1C(=O)OC)Cl)NC(=O)C2=CC3=CC=CC=C3O2 1 3.713 1 5 -4.22499012505892 1183484 COC1=CC(=C(C=C1C(=O)OC)Cl)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 4.25 1 4 -7.44244484842389 1183482 COC1=CC(=C(C=C1C(=O)OC)Cl)NC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl 1 4.914 1 4 -5.57683851116987 1183480 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C=C(C(=C2)OC)C(=O)OC)Cl)OC 1 3.553 1 6 0 -12.3342023896644 1183477 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)OC)C(=O)OC)Cl 1 4.518 1 4 -6.72932210546238 1183476 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C=C(C(=C2)OC)C(=O)OC)Cl 1 3.068 1 7 0 -12.8808949527765 1183401 CC(C)CN(CC(C)C)C(=O)/C=C/C1=CC(=C(C=C1)OC)Br 1 4.827 1 2 -6.72692707028952 1183382 COC1=C(C=CC(=C1)/C=C/[N+](=O)[O-])OC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.255 1 7 0 -4.76859723101417 1183352 C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OC(=O)CCN4C(=O)C5=CC=CC=C5C4=O 1 3.441 1 6 0 -17.1879024981717 1183299 COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3O2)OC)Br 1 3.925 1 4 -3.45284054588913 1183268 COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CC3=CNC4=CC=CC=C43 1 3.407 3 3 -14.2001974043489 1183197 CCN1CCN(CC1)CCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC 1 2.483 3 5 0 -16.2419500410819 1183193 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2CCCCCC2 1 3.55 2 5 0 -16.1932212173963 1183188 C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.273 2 4 -14.3614497187512 1183142 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)COC2=CC=CC=C2Br 1 4.14 1 2 -5.220070364586 1183113 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)COC3=CC=CC=C3Br 1 3.162 3 2 -8.42750714206297 1183085 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 4.327 4 2 -0.681460405123987 1183080 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CCC2=NNC(=O)NC2=O 1 0.105 5 6 0 -28.5022402762067 1183030 CC1=CC=C(O1)CCC(=O)NC2=NC=C(S2)CC3=C(C=CC(=C3)Cl)Cl 1 4.395 2 2 -5.8741996222936 1183025 C1=CC(=CC=C1C=NNC(=O)CCNC2=NNC(=O)NC2=O)Br 1 0.265 6 3 0 -21.5455061978207 1183022 C1=CC=C(C=C1)COC2=CC=CC(=C2)C=NNC(=O)CCNC3=NNC(=O)NC3=O 1 1.084 6 4 0 -22.721591249692 1183010 COC1=CC=CC=C1OCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 4.502 1 4 -9.95482952344567 1182987 CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4 1 4.524 0 5 -9.12573182844763 1182912 CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C4C5=C(CCCC5)SC4=NC=N3 1 5.11 2 3 -7.63486104475419 1182910 CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=CC=C(C=C2)Cl)C 1 4.513 1 3 -3.83927837650692 1182909 COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OCC(=O)OCC4=CC=CC=C4 1 4.124 0 6 -10.0733356536043 1182908 CCN(CC)CC(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC 1 2.626 2 5 0 -18.338065814118 1182906 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2CCOCC2 1 1.864 2 6 0 -18.5918274283084 1182832 C1=C(OC(=C1)Br)C=NNC(=O)CCC2=NNC(=O)NC2=O 1 0.118 5 4 0 -27.028101117682 1182821 C1=CC(=CC=C1C=NNC(=O)CCNC2=NNC(=O)NC2=O)C(F)(F)F 1 0.459 6 3 0 -18.3150782559738 1182820 C1=CC=C(C(=C1)C=NNC(=O)CCNC2=NNC(=O)NC2=O)Br 1 0.265 6 3 0 -20.6468612099771 1182742 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)C 1 1.293 5 5 0 -14.002812464538 1182729 CC1=NN(C(=C1C=NNC(=O)CCNC2=NNC(=O)NC2=O)Cl)C3=CC=CC=C3 1 0.485 8 3 0 -19.4967088343196 1182728 CC1=NN(C(=C1C=NNC(=O)CNC2=NNC(=O)NC2=O)Cl)C3=CC=CC=C3 1 0.236 8 3 0 -20.2691166248921 1182720 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NN=C2C(=O)CCCC2=O 1 2.986 2 6 0 -17.8430455821322 1182681 CN(C)C1=CC=C(C=C1)/C=C\2/C(=NC(=O)S2)NC3=CC=C(C=C3)OC 1 3.925 3 2 -3.5265476682435 1182668 CCOC1=CC=C(C=C1)NC\2=NC(=O)S/C2=C\C3=CC=C(C=C3)Cl 1 4.776 2 2 0.190514249247945 1182662 CCOC1=CC=C(C=C1)NC\2=NC(=O)S/C2=C\C3=CC=C(C=C3)OC 1 4.095 2 3 -2.18972722168257 1182647 CCOC1=CC=CC=C1C=NNC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC 1 3.432 3 5 0 -13.0805024305868 1182638 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 3.299 2 5 0 -9.11095352520393 1182584 CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCN(CC3)C)C4=CC=CC=C4 1 3.936 2 4 8.61078204305836 1182484 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 2.936 3 4 0 -12.9021151638724 1182477 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 3.547 2 5 0 -11.0090025330105 1182237 CC1=C(OC2=NC(=NC(=C12)N)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC)C 1 2.972 4 4 0 -14.874196646266 1182103 C1COCCN1CCNC2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl 1 3.374 4 1 9.41692365883139 1181911 CCOC1=CC=CC=C1OCC(=O)NNC(=S)NC2CCCCC2 1 3.445 3 3 -14.7023421481549 1181897 CC(C)(C)C1=NN=C(N(C1=O)N=CC2=C(C=C(C=C2)OC)OC)SC 1 3.916 4 3 0 -4.68088425714305 1181866 COC1=C(C=C(C=C1)C=NNC(=O)CCN2C3=CC=CC=C3C4=CC=CC=C42)O 1 4.224 3 3 -2.4368147867701 1181849 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC(=S)NC3=CC(=CC=C3)Cl 1 3.562 3 3 -8.89651424108244 1181846 CC1=CC(=CC(=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C 1 3.87 3 3 -11.9367532700932 1181845 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC(=S)NC3=CC=CC=C3Cl 1 3.562 3 3 -10.7112981573803 1181832 CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)CN(C)C)O 1 3.408 1 5 2.35126286507066 1181796 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2)C 1 2.178 2 5 0 -12.8936260965763 1181793 CC1=CN2C(=NC(=C(C2=O)C=NCC3=CC=CO3)NCC4=CC=CO4)C=C1 1 1.822 4 3 0 -10.8221503349724 1181792 CC1=CC=CC=C1OCC(=O)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.711 2 3 -5.33899008670268 1181768 C1COCCN1C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 1.348 3 4 0 -7.94212274070826 1181764 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3OC 1 3.133 3 5 0 -16.1456455974759 1181762 CCOC(=O)C(=NNC1=CC=C(C=C1)Cl)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 4.214 3 5 0 -2.31663842763188 1181730 C1=CC=C2C(=C1)N=C(O2)SCC3=C(N4C=CC=NC4=N3)Br 1 3.575 4 1 -0.16210723860098 1181729 CC1=CC(=O)N=C(N1)SCC2=C(N3C=CC=NC3=N2)Br 1 2.104 5 1 -12.4393372543262 1181520 CC1=CC2=C(C=C1)OC(=CC2=NC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)OC 1 5.073 1 4 4.18660534104355 1181502 CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)NC4=O 1 3.221 2 3 -16.192674643446 1181447 C1COCCN1CCNC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl 1 3.374 4 1 7.85269028254381 1181429 COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4 1 4.021 0 6 -10.9705092151832 1181325 CCOC(=O)C1=CN=C2C(=C1NCCN3CCOCC3)C=CC=C2Cl 1 2.52 3 3 -6.76057144139041 1181227 CC(=O)C1=CC(=C(C=C1)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O)OC 1 1.869 1 6 0 -11.9905511242827 1181212 CC(=O)OC1=C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC 1 2.592 0 5 -0.292022995828101 1181202 CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4)C 1 5.01 0 5 -11.5027530685859 1181201 CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CN=CC=C4)C 1 3.906 1 5 -12.6698469699115 1181186 COC1=CC(=C(C=C1)OC)/C=C/C(=O)NCCC2=NC3=CC=CC=C3N2 1 3.013 3 3 -7.46301921136988 1181160 CC1(CC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C1)C 1 4.856 2 2 4.30698750025836 1181159 CCOC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC(=CC(=C3)C)C 1 4.384 0 6 -6.75845786009717 1181064 CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.652 4 4 0 -10.6895417775654 1181063 CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 3.257 3 5 0 -9.92543592135829 1181036 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3 1 2.703 3 4 0 -11.8299731865462 1180977 CCOC(=O)CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4C=NC5=CC=CC=C54 1 5.233 5 2 0 -16.5013281327131 1180953 CC1=CC(=CC=C1)N2CCN(CC2)C(=S)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-] 1 5.882 3 3 4.2526990738407 1180943 C1=CC(=CC=C1CN2C(=NC=N2)SCC3=CC=C(C=C3)Cl)Cl 1 5.375 3 0 -7.61444358998466 1180877 CCOC(=O)C1=C(N=C2N([C@@H]1/C=C/C3=CC=CC=C3)C(=O)CCS2)C 1 3.271 2 3 -19.4725566613357 1180869 C1COCCN1C(=O)[C@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O 1 1.855 2 4 0 -13.1714770918258 1180862 CCOC(=O)CC1=CSC(=N1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.411 3 5 0 -15.2711952112112 1180861 CCOC(=O)CC1=CSC(=N1)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.411 2 3 -7.87633598442112 1180754 C1CC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NC4=CC=CC=C4C(=O)O 1 3.386 3 3 -20.6171634212905 1180751 C1=CC=C(C=C1)C2=C(SC(=N2)NC3=CC=CC=C3)C(=O)NC4=CN=CC=C4 1 3.612 4 1 -1.1868979144217 1180684 CC1=CC=CC=C1C2=CC=C(O2)C=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 4.21 3 2 -5.21402861393649 1180676 CN1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl 1 2.814 3 2 0.348908542152565 1180673 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=CC3=CC(=CC=C3)O 1 2.659 5 2 0 -13.7692838729105 1180631 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NN=C2C(=O)CC(CC2=O)(C)C 1 3.444 2 6 0 -20.2286473454968 1180624 CC1=CC(=CC=C1)NC2=NC(=C(S2)C(=O)NC3=CN=CC=C3)C4=CC=CC=C4 1 4.098 4 1 1.44578026433684 1180580 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NN=C(C(=O)C)C(=O)OCC 1 2.954 2 7 0 -12.4612767009588 1180559 C1CCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 4.498 2 3 -7.4585432765018 1180550 CC1=CC=C(C=C1)C2=NC(=S)N(C(=S)N2C)C(=NC)C3=CC=C(C=C3)C 1 6.16 4 0 -0.210185247752225 1180515 CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.198 1 7 0 -15.0294493863714 1180382 C1=CC2=C(C(=C1)OCC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)SCC(=O)O)N=CC=C2 1 4.43 4 3 0 -15.1512644460538 1180341 COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)CC3=CSC(=N3)N 1 3.178 5 2 0 -16.3266617914553 1180312 C1=COC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)Br 1 3.357 4 2 -4.38305789314648 1180308 C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)Br 1 3.415 3 2 -13.283288339699 1180303 COC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC(=O)N)OC 1 1.941 1 6 0 -11.4731748588507 1180230 COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CC3=CC=CC=C3 1 3.401 2 4 -14.1794265393463 1180202 CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 3.588 2 6 0 -11.9114496369134 1180201 CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 3.097 2 7 0 -24.130360711405 1180197 CC1=C(SC(=N1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C 1 1.058 3 4 0 -12.722269847545 1180187 CCC1=CC(=C(S1)NC(=O)COC)C(=O)OCC 1 1.489 1 4 0 -12.936701489928 1180112 CC1=C(SC2=C1C(=O)N(C3=NN=C(N23)NC4=CC=CC=C4)CC=C)C 1 3.168 5 1 -13.4894285853275 1180036 C1COCCN1C2=NSN=C2OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4 1 3.623 4 3 0 -3.64801549849363 1180034 CN(C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.942 3 3 0 -20.8070954396451 1180008 CC1=C(C=[N+](C=C1)C2=C(SC(=N2)[O-])C=NNC(=S)NC3=CC=CC=C3)C 1 5.122 5 1 -11.6022495342624 1180006 CC1=CC(=C[N+](=C1)C2=C(SC(=N2)[O-])C=NNC(=S)NC3=CC=CC=C3)C 1 5.122 5 1 -11.0430539535946 1179914 CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3 1 4.694 3 3 -12.2590039655605 1179824 CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=CC(=C3)C(=O)O)C 1 3.813 3 4 0 -9.9829056636868 1179739 C1=CC=C(C=C1)C[C@@H](C(=O)O)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl 1 5.041 1 4 -9.21526002425132 1179668 CCOC(=O)C1CCN(CC1)C(=O)C2=C(OC3=C2C(=O)C4=CC=CC=C4C3=O)C 1 2.439 1 6 0 -7.79122974174051 1179587 CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3CC3 1 3.111 2 5 0 -6.22242582155421 1179562 C1CN(C2=CC=CC=C21)C(=S)NC(=O)C3=CC=C(O3)Br 1 4.157 2 2 -14.2874685869847 1179548 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.778 2 3 -8.25296102002493 1179439 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=NC4=CC=CC=C43)C(F)(F)F 1 2.976 5 1 -9.860903069363 1179486 CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OCC(=O)O 1 2.45 0 7 0 -12.2574832250139 1179459 CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.725 3 4 0 -4.82486867235682 1179390 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CC=N4 1 2.096 4 3 0 -17.2528492030122 1179386 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4 1 2.213 3 4 0 -14.2452935885758 1179381 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CS4 1 2.771 3 3 -15.7790956111077 1179346 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C 1 3.24 2 3 -18.4592473806704 1179334 CC1=NC2=C(C=CC=C2OCC3=NN=C(N3CC=C)SCC(=O)O)C=C1 1 2.81 4 3 0 -21.0454313004584 1179317 CC1=C(SC2=C1C(=NC=N2)SCC(=O)N3CCC(CC3)C4=NOC5=C4C=C(C=C5)F)C 1 4.368 4 2 -10.7129843302814 1179308 CC1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC4=CSC(=N4)C 1 4.367 4 0 -4.20931434982195 1179289 CC1=CC(=C(C=C1)C)S(=O)(=O)NCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.117 2 5 0 -13.7390774873274 1179288 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 4.805 2 5 0 -11.1983241848285 1179285 C1=CC=NC(=C1)CNC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=CC=C3)Cl 1 2.845 3 3 -10.9116464556448 1179280 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F 1 2.854 2 3 -6.67150965028834 1179274 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C4N3C(=CS4)C5=CC=C(C=C5)Cl 1 4.442 4 3 0 -14.1356829525389 1179266 C1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)NCC4=CC=CO4 1 3.191 4 2 -16.9878250232832 1179258 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCSC3=NN=C4N3C=CC=C4 1 4.082 4 3 0 -16.7808560627978 1179257 C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)CSC4=NN=C5N4C=CC=C5 1 4.333 5 1 -7.05935547592271 1179220 C1COCCN1C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 1.605 3 4 0 -15.8070601184329 1179211 C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OCC(=O)NCC4=CC=CO4 1 2.945 1 5 -10.3250717216067 1179204 C1=CC=C(C=C1)OC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)Br 1 4.862 2 2 4.74671040631231 1179063 C1COCCN1C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl 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CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C)C 1 4.77 3 3 -21.1258760118999 1176155 CCC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=NN=C(S3)C)C 1 3.896 4 1 -13.4782292668221 1176129 CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=NOC(=C3)C 1 3.844 3 2 -15.258349707157 1176127 CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 4.284 3 3 -19.731147818645 1176122 CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC 1 4.303 2 5 0 -13.4282849220493 1176117 CC1=CC=CC2=CC(=C(N=C12)SCC(=O)N(C)C3=NC(=CS3)C4=CC=CC=C4)C 1 5.856 3 1 -3.97688147341364 1176113 CC1=CC=CC2=CC(=C(N=C12)SCC(=O)NNC(=O)C3=CC=CO3)C 1 3.358 3 3 -10.4704241277061 1176079 C1=COC(=C1)CN(C2=NC(=CS2)C3=CC=C(C=C3)F)C(=O)C4=CC=CS4 1 4.688 2 2 -2.21663669051543 1176056 C1=CC=C(C=C1)CCN(C2=NC(=CS2)C3=CC=C(C=C3)F)C(=O)COC4=CC=CC=C4 1 5.71 2 2 0.731369626750647 1175973 CN(C1=NC(=CS1)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3 1 3.824 2 2 2.10663590069914 1175951 CC1=CC=C(C=C1)C2=CSC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=CS4 1 4.969 2 2 -2.92851371598068 1175901 CC1=CC=C(C=C1)C2=CSC(=N2)N(CCC3=CC=CC=C3)C(=O)COC4=CC=CC=C4 1 5.99 2 2 1.9492601285396e-002 1175894 CC1=CC=C(C=C1)C2=CSC(=N2)N(CC3=CC=CC=C3)C(=O)COC4=CC=CC=C4 1 5.669 2 2 -0.989023726436979 1175837 CCC(=O)NC1=CC(=C(C=C1OCC)NC(=S)NCC2=CC=CO2)OCC 1 3.729 3 4 0 -15.3049515420073 1175834 CCOC1=CC(=C(C=C1NC(=O)C2=CC=CO2)OCC)NC(=S)NCC3=CC=CO3 1 4.122 3 5 0 -15.1313670841536 1175833 CCOC1=CC(=C(C=C1NC(=O)C2CC2)OCC)NC(=S)NCC3=CC=CO3 1 3.82 3 4 0 -14.0374821942102 1175824 CC(C)N1C2=C(N=C1SCC(=O)NC3=CC=CC=C3N4CCOCC4)N(C(=O)N(C2=O)C)C 1 2.196 6 4 0 -22.9836575552549 1175822 CC(C)N1C2=C(N=C1SCC(=O)N3CCN(CC3)C)N(C(=O)N(C2=O)C)C 1 0.932 6 3 0 -19.3890319634682 1175821 CC(C)N1C2=C(N=C1SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)N(C(=O)N(C2=O)C)C 1 1.252 6 5 0 -22.4305002707678 1175810 CC(C)N1C2=C(N=C1SCC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53)N(C(=O)N(C2=O)C)C 1 4.729 5 3 0 -18.8470507750238 1175795 CC(C)N1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)NC(=O)C)N(C(=O)N(C2=O)C)C 1 1.466 6 4 0 -23.638859573774 1175786 CC(C)N1C2=C(N=C1SCC(=O)N3CCCCC3)N(C(=O)N(C2=O)C)C 1 1.892 5 3 0 -21.8649004720772 1175775 CC(C)N1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)N(C2=O)C)C 1 2.346 5 3 0 -20.6055959753941 1175766 C1CN(CCN1C(=O)CSC2=NN=NN2C3=CC4=C(C=C3)OCCO4)C(=O)C5=CC=CO5 1 1.128 6 5 0 -24.2854904257826 1175754 CCC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC4=C(C=C3)OCCO4 1 2.009 6 4 0 -23.6151683267889 1175753 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC4=C(C=C3)OCCO4 1 1.343 6 4 0 -25.4938497287888 1175706 CC(C)N(C(C)C)C(=O)CSC1=NN=NN1C2=CC3=C(C=C2)OCO3 1 2.286 5 3 0 -22.0161510143071 1175701 CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=NN2C3=CC4=C(C=C3)OCO4 1 1.325 6 4 0 -24.0158129418378 1175681 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC4=C(C=C3)OCO4)C 1 3.177 5 3 0 -21.2463835573288 1175667 CC1=NC(=CC=C1)NC(=O)CSC2=NN=NN2C3=CC4=C(C=C3)OCCO4 1 1.893 6 3 0 -21.8918989092769 1175656 C1=COC(=C1)C(=O)NNC(=O)CSC2=NN=NN2C3=CC=C(C=C3)F 1 1.294 6 3 0 -22.1229486853496 1175641 COC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3N4CCOCC4)OC 1 2.253 6 4 0 -25.7437108291857 1175640 COC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)OC 1 1.309 6 5 0 -25.1905535446987 1175635 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=NN2C3=CC(=C(C=C3)OC)OC)OC 1 2.699 5 5 0 -28.0017642815089 1175633 COC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCCC4=CC=CC=C43)OC 1 3.14 5 3 0 -25.8793877095621 1175629 COC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NCCC3=CC=CC=C3)OC 1 2.732 5 3 0 -27.307320129215 1175620 COC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NC3CCCC3)OC 1 2.229 5 3 0 -26.363055666254 1175580 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=NN2C3=CC(=CC(=C3)OC)OC)OC 1 2.699 5 5 0 -30.3560584947318 1175566 COC1=CC(=CC(=C1)N2C(=NN=N2)SCC(=O)NC3CCCC3)OC 1 2.229 5 3 0 -25.9198968607431 1175564 COC1=CC(=CC(=C1)N2C(=NN=N2)SCC(=O)NCC3=CC=CS3)OC 1 2.15 5 3 0 -29.4137178559493 1175547 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC(=CC(=C3)OC)OC 1 2.143 5 4 0 -26.4050849192193 1175528 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=NN2C3=CC(=CC=C3)OC)OC 1 2.715 5 4 0 -27.2549674323824 1175519 COC1=CC=CC(=C1)N2C(=NN=N2)SCC(=O)NC3=NC4=C(S3)CCCC4 1 2.807 6 2 0 -23.0175455057912 1175456 COC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3N4CCOCC4 1 2.253 6 4 0 -23.8568275877364 1175454 COC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 1.309 6 5 0 -23.3036703032493 1175453 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=NN2C3=C(C=CC(=C3)OC)OC 1 2.873 5 4 0 -23.0942269916444 1175418 COC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3OC 1 2.387 5 4 0 -24.3192185614769 1175403 COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3F 1 2.497 5 3 0 -24.2413701686139 1175395 CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53 1 5.011 5 1 -2.40921983354643 1175335 CCOC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)NCC3=CC=CO3)OCC 1 1.995 5 4 0 -15.3386921480377 1175169 CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NC4=CC=CC=C4OC)C 1 5.735 3 3 -14.1503030521179 1174866 CNC(=S)N(CC1=CC=CO1)CC2=CC3=C(C=CC(=C3)OC)NC2=O 1 2.908 3 3 -14.1968440764035 1174825 CCNC(=S)N(CC1=CC2=CC(=CC(=C2NC1=O)C)C)C3CCCC3 1 4.883 3 1 -11.6861939830681 1174633 CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5 1 2.903 5 3 0 -28.6042764265836 1174632 CN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 1.713 5 3 0 -25.1379559087931 1174612 CC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.568 4 3 0 -21.773620965902 1174611 CN1C(=NN=C1SCC(=O)N)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 0.84 5 3 0 -22.7700065296743 1174598 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.038 3 6 0 -25.0234723926437 1174581 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CS2 1 1.879 2 4 0 -12.9090218364632 1174569 CC1=CC(=NO1)NC(=O)CSC2=C(C=CC=N2)C(=O)O 1 1.165 3 4 0 -22.2747823938796 1174135 CN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.693 4 4 0 -25.1142811997946 1174130 CCOC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)O 1 2.73 2 3 -4.74894565836921 1174129 CC(C)C1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)O 1 3.592 2 2 -1.51715084286733 1174121 CCCC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)N1CC4=CC=CC=C4Cl 1 5.144 3 2 -8.52642891199784 1174120 CCCC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=CO3)C(=O)N1CC4=CC=CC=C4Cl 1 4.586 3 3 -6.99262688946595 1174117 CCCC1=NC2=C(C=C(C=C2)NC(=O)C)C(=O)N1CC3=CC=CC=C3Cl 1 3.526 3 2 -7.51901366656351 1174047 CCCC1=NC2=C(C=C(C=C2)NC(=O)C)C(=O)N1CC3=CC(=CC=C3)Cl 1 3.526 3 2 -5.03101281663402 1174035 CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC3=CC=C(C=C3)Br 1 3.261 3 3 -2.66409217485407 1174034 CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC3=CC(=CC=C3)Br 1 3.261 3 3 -3.04340174524104 1174033 CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC3=CC=CC=C3Br 1 3.261 3 3 -4.18149237277791 1174027 CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC3=CC=C(C=C3)F 1 2.718 3 3 -2.3175540948742 1174026 CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC3=CC(=CC=C3)F 1 2.718 3 3 -1.72648995382606 1174022 CC1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C 1 2.999 3 3 -3.21772771467325 1174021 CC1=CC(=CC=C1)CN2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C 1 2.999 3 3 -2.52738736093602 1174020 CC1=CC=CC=C1CN2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C 1 2.999 3 3 -4.83881044697817 1174009 CCCC(=O)NC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC=CC=C3Cl)C 1 3.526 3 2 -13.7899498318008 1174008 CCC(=O)NC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC=CC=C3Cl)C 1 3.07 3 2 -8.36765569715329 1173996 CCCC1=NC2=C(C=C(C=C2)N)C(=O)N1CC3=CC=CC=C3Cl 1 3.659 3 1 0.622161886763723 1173992 CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC3=CC=C(C=C3)Cl 1 3.177 3 3 -1.20743242975263 1173981 COC1=CC=CC=C1N2C(=NNC2=S)C3=CC=C(C=C3)NS(=O)(=O)C 1 2.573 4 3 0 -8.66559763393188 1173928 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N)CC3=CC=CC=C3 1 2.681 5 1 -14.9830508067737 1173903 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3OC)N 1 2.159 6 2 0 -21.4047672055549 1173898 CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC)N 1 4.471 3 2 -3.99151915745074 1173804 CCCN1C2=C(N=C1SCC(=O)NC3=CC=CC(=N3)C)N(C(=O)N(C2=O)C)C 1 2.163 6 3 0 -21.821093141194 1173803 CCCN1C2=C(N=C1SCCN3CCOCC3)N(C(=O)N(C2=O)C)C 1 1.682 5 3 0 -17.4065862245338 1173795 CCCN1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)NC(=O)CC)N(C(=O)N(C2=O)C)C 1 2.279 6 4 0 -23.0131266928892 1173790 CCN1C2=C(N=C1SCC(=O)NC3=CC=CC(=N3)C)N(C(=O)N(C2=O)C)C 1 1.639 6 3 0 -21.3634425556602 1173783 CCC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2CC)C(=O)N(C(=O)N3C)C 1 1.756 6 4 0 -22.5554761073554 1173757 C1CCN(CC1)CCN2C(=O)CN=C(C3=C2SC4=C3CCCC4)C5=CC=C(C=C5)Br 1 5.481 3 1 -5.95127326721166 1173617 C1=CC(=CC(=C1)NCC2=NN=C(N2CC3=CC=CO3)SCC(=O)NCC4=CC=CO4)C(F)(F)F 1 3.601 5 3 0 -17.5867216718998 1173483 CC1=C(N=C2C=C3C(=CC2=C1)OCO3)SCC(=O)NC4=NC(=C(S4)C)C 1 3.413 3 3 -10.1695286896413 1173476 CC1=C(N=C2C=C3C(=CC2=C1)OCO3)SCC(=O)N4CCC5=CC=CC=C54 1 4.268 2 3 -12.5279489334213 1173404 CCN1C(=NN=C1SC)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.791 4 2 -15.7505332955216 1173390 CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)CNC3=CC=C(C=C3)F 1 3.814 5 1 -19.9096686747434 1173303 CC1=CC(=NO1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 2.532 6 2 0 -17.3863062488817 1173266 CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=CC=CC=C2N)C 1 2.535 2 3 -18.5968494487951 1173261 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=CC=CC=C3N 1 3.205 3 1 -5.15105233524876 1173258 CC1=CC(=C2C(=C1)C=C(C3=NN=C(N23)SCC(=O)NC4=CC=CC=C4N5CCOCC5)C)C 1 4.97 5 2 0 -14.2723042820592 1173254 CC1=CC(=C2C(=C1)C=C(C3=NN=C(N23)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5)C)C 1 5.154 5 3 0 -26.0765048827034 1173246 CC1=C2C=C(C3=NN=C(N3C2=C(C=C1)C)SCC(=O)NC4=CC=CC(=C4)C(=O)O)C 1 4.75 4 3 0 -16.0304354632912 1173230 CC1=CC(=C2C(=C1)C=C(C3=NN=C(N23)SCC(=O)N4CCCC5=CC=CC=C54)C)C 1 5.857 4 1 -14.4079811624356 1173210 CC1=CC(=C2C(=C1)C=C(C3=NN=C(N23)SCC(=O)NC4=CC(=C(C=C4C(=O)O)OC)OC)C)C 1 4.717 4 5 0 -19.4946073889577 1173198 CC1=C2C=C(C3=NN=C(N3C2=C(C=C1)C)SCC(=O)C4=CC=CS4)C 1 5.693 3 1 -12.9255290816961 1173186 CC1=C2C=C(C3=NN=C(N3C2=C(C=C1)C)SCC(=O)N4CCCC5=CC=CC=C54)C 1 5.857 4 1 -16.6552677362786 1173185 CC1=C2C=C(C3=NN=C(N3C2=C(C=C1)C)SCC(=O)NC4=NC5=C(S4)CCCC5)C 1 5.507 5 1 -17.4131093173861 1173157 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CC1=C(C=CC(=C1)NC(=O)CC2=CC=CC=C2)NC(=O)C3=CC=CS3 1 3.873 2 2 -13.0807016607642 1167457 C1CCC(CC1)N(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.046 3 3 -14.3585907770927 1167454 C1CCC(CC1)N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)F 1 3.415 2 5 0 -12.6260121524843 1167440 C1=CC=C(C=C1)CN(CC(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.443 3 3 -20.5119729363119 1167432 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3CCCCC3 1 2.784 3 3 -16.7228146722113 1167408 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)COC3=C(C=C(C=C3)Cl)Cl 1 5.231 2 2 -5.50919925107325 1167370 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)Br 1 4.815 2 1 -5.41433006027939 1167283 COC1=CC(=C(C=C1Br)OC)S(=O)(=O)NCC2=CN=CC=C2 1 1.889 2 4 0 -6.3755948243551 1167255 CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCCN3CCOCC3 1 2.059 3 5 0 -7.87006612578148 1167248 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCCN3CCOCC3)C(=O)OC 1 1.711 3 5 0 -8.06298178671762 1167246 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC3=CC=CO3)C(=O)OC 1 2.649 2 5 0 -5.8288912085447 1167230 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CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 1.19 3 4 0 -17.6563946886403 1166892 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 1.54 2 5 0 -16.7498834927416 1166875 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.442 2 4 0 -13.8486135225564 1166770 C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC=CC(=O)N3 1 1.378 3 2 0 -17.7494284696121 1166682 CCN1C(=NN=C1SCC(=O)N)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC 1 1.425 5 3 0 -18.821916272336 1166666 COC1=C(C=C(C=C1)C(=O)NNC(=O)CCN2N=C(N=N2)C3=CC=C(C=C3)Cl)OC 1 2.278 6 4 0 -10.6362221344159 1166665 CC(=O)NNC(=O)CCN1N=C(N=N1)C2=CC=C(C=C2)Cl 1 0.646 6 2 0 -4.92745541764264 1166656 CC1=CC=C(C=C1)C2=NN(N=N2)CCC(=O)NC3=CC(=C(C=C3)OC)OC 1 2.843 5 3 0 -9.15871529158839 1166653 CC1=CC=C(C=C1)C2=NN(N=N2)CCC(=O)NNC(=O)C3=CC(=C(C=C3)OC)OC 1 2.1 6 4 0 -12.4582208250028 1166641 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC=C(N2CC(=O)NC3=CC=C(C=C3)NC(=O)C)C4=CC=C(C=C4)F 1 4.387 5 3 0 -14.3696752950139 1166607 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C1=COC(=C1)C2=CC(=NC(=N2)SCCC(=O)NCC3=CC=CS3)C(F)(F)F 1 4.458 3 2 -11.8520164738638 1164778 C1CC2=CC=CC=C2N(C1)C(=O)CCSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 5.448 3 2 -7.53713259152226 1164759 C1CN(CCN1CCO)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F 1 2.955 4 1 6.54524720825849 1164757 C1CN(CCN1C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F)C(=O)C5=CC=CO5 1 3.813 4 2 2.188064822507e-002 1164720 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CNC3=CC=C(C=C3)OC 1 2.672 5 3 0 -16.143491543535 1164715 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC3=CC=C(C=C3)OC 1 2.688 5 2 0 -15.6362068397025 1164709 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 2.761 2 5 0 -9.12642799544776 1164705 COC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3)OC 1 2.761 2 5 0 -11.0337958741147 1164702 COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3)OC 1 2.761 2 5 0 -10.872994822287 1164699 COC1=CC=C(C=C1)C(=O)NNC(=O)CN2N=C(N=N2)C3=CC(=C(C=C3)OC)OC 1 1.349 6 5 0 -9.24157870925023 1164697 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)OC)OC)C 1 3.749 2 3 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COC1=CC=C(C=C1)/C=C(\C(=O)NC2=CC=CC(=C2)C(=O)O)/NC(=O)C3=CC=CO3 1 2.58 2 6 0 -16.5339734180959 1163075 C1=COC(=C1)/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/NC(=O)C3=CC=C(O3)Br 1 2.559 2 6 0 -16.6258049873019 1163059 C1=COC(=C1)/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/NC(=O)C3=CC=CO3 1 1.991 2 6 0 -15.5684014964342 1163051 C1=CC=C(C=C1)/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/NC(=O)C3=CC=CO3 1 2.596 2 5 0 -16.3525563213747 1163011 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6 1 3.845 2 5 0 -14.9934592873911 1162986 CC1=C(C(=CC=C1)C)NC(=O)CSC2=CC(=NC3=C2C=C(C=C3)OC)C 1 4.433 2 2 -7.56154293041176 1162920 COC1=CC2=C(C=C1)N(C=C2CCN3C(=O)C4=CC=CC=C4C3=O)C(=O)C5=CC=CO5 1 4.093 2 5 0 -1.05651501292569 1162886 CC1=CC(=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 3.516 2 4 -15.1231542918316 1162877 C1COCCN1CC2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4 1 3.201 2 2 -3.8798933913284 1162872 CC1=CC=C(C=C1)S(=O)(=O)NCC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4 1 4.336 2 3 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CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C 1 2.422 4 4 0 -13.3349535576968 1161198 CC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 2.771 3 5 0 -10.5112989822612 1161159 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)OC 1 2.084 4 4 0 -13.92625446742 1161100 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC3=CC(=CC(=C3O)Cl)Cl 1 3.124 3 2 -3.81511606126337 1161071 COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)N3CCOCC3)O 1 1.765 3 5 0 -19.9508587482053 1161017 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C 1 1.728 2 4 0 -15.7374763855727 1160940 C1=CC=C(C=C1)C2=NN=C(O2)SC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 5.64 3 2 0.146097181245074 1160939 CC1=NN=C(S1)SC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 4.534 3 1 -5.17605529240448 1160933 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCC4=CC=CC=C43 1 4.77 2 2 -15.8288664500344 1160923 CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)NC3=NC4=C(C=CC(=C4)C)C(=N3)C 1 4.514 5 1 -4.22343828943147 1160921 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4 1 1.475 3 4 0 -17.5753948612962 1160887 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=CC=C3OC 1 3.632 2 4 -16.5333050690914 1160857 CS(=O)(=O)N(CC(=O)N1CCCC1)C2=C(C=CC(=C2)C(F)(F)F)Cl 1 2.28 2 3 -8.73827874630794 1160775 COC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C 1 0.371 3 7 0 -30.4205270072001 1160768 CC1=C(C(=CC=C1)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C)C 1 2.843 2 3 -16.9149089706046 1160764 C1CCC(CC1)N(CC(=O)NC2CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.56 2 3 -12.8276907582231 1160761 COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NC3CC3 1 2.063 2 4 -18.5334062839176 1160755 CCOC(=O)C1=CC=C(C=C1)N2C3=C(C(=CC(=O)O3)C)C(=N2)C(F)(F)F 1 4.272 2 4 -4.48701035206809 1160752 C1COCCN1C2=NC(=NC(=N2)CSC3=NC4=CC=CC=C4S3)N 1 2.11 6 1 0 -3.46732779987247 1160739 CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC(=O)NC3CCCC3 1 3.191 4 2 -15.4414798070415 1160733 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)COC4=CC=CC=C4 1 2.648 4 4 0 -16.8240656181087 1160658 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=CC=CC=C3F 1 3.731 2 3 -4.47738142977408 1160608 CC(=O)C1=CC=C(C=C1)OC(=O)N2CCOCC2 1 1.227 1 4 0 -8.85672378446307 1160633 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 1.364 4 4 0 -14.9700488289318 1160631 COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.099 3 5 0 -15.7787737065601 1160539 COC1=C(C=C(C=C1)C2(CCOCC2)C(=O)NCC3=CC=CC=C3Cl)OC 1 3.394 1 4 -15.8921531717369 1160466 CC1=CC(=CC2=C1N=C(S2)NC(=O)C)NC(=O)C 1 1.182 3 2 0 -2.95910260799547 1160464 CC1=CC(=CC2=C1N=C(S2)NC(=O)C)NC(=O)C3CCCCC3 1 3.308 3 2 -0.47415475086123 1160447 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)NC(=O)C5=CC=CS5 1 4.746 4 2 9.83028255673575e-002 1160409 C1=CC(=CC=C1C2=NC3=C(N2CCO)C=CC(=C3)N)N 1 1.443 4 1 0 5.79441997627319 1160390 CC1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)N 1 2.089 3 2 -1.1992377928093 1160385 C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N4CCCCC4 1 4.033 3 2 -3.12804575442194 1160382 CC(=O)NC1=CC2=C(C=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)C 1 2.079 3 2 3.52143452885435 1160359 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3 1 2.901 5 4 0 2.92789478600461 1160357 CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-] 1 3.038 5 4 0 2.88057256824714 1160352 C1=CC=C2C(=C1)C=CC3=C2N=C(N3)COC(=O)C4=CC=C(C=C4)N 1 3.139 3 2 1.46276984803311 1160340 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCCC3 1 3.408 2 2 -4.39966822619918 1160324 C1CCC(CC1)C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-] 1 3.637 2 3 4.95684283238093 1160306 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C 1 2.549 3 3 -3.85675890542749 1160302 CC(=O)NC1=NC2=C(C=C(C=C2S1)[N+](=O)[O-])OC 1 1.453 3 4 0 -3.87132639767766 1160276 CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC3=C2C=CC(=C3)C)C 1 3.936 2 2 -0.157112279337165 1160269 C1=CC(=CC(=C1)O)C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-] 1 2.933 2 4 11.2052186037061 1160257 CC1=NC2=C(C=C(C=C2N1)Cl)Cl 1 2.935 2 0 1.31401867235067 1160235 C1CCC2=C(C1)C(=O)C(=C(N2CC3=CC=CO3)O)C(=O)NC4=CC=CC=C4 1 3.403 2 4 -10.053172290907 1160086 C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl 1 4.144 2 3 -5.70167561313052 1160074 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5 1 2.7 3 4 0 -1.16971532386227 1160042 CC1=CC(=NC(=C1C#N)SCCS(=O)(=O)CC2=CC=C(C=C2)Cl)C 1 4.253 2 2 -10.8716668175788 1160021 CC1=C(C=C(C=C1)C(C)C)S(=O)(=O)NC2=CC=NC=C2 1 2.847 2 2 -1.23711694805176 1160008 CC1=C(C=CC(=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)C)OC 1 2.533 2 6 0 -13.3600901467818 1160004 COC1=CC(=C(C=C1Cl)S(=O)(=O)NCCN2CCOCC2)Cl 1 1.879 2 4 0 -8.47314917624065 1159999 COC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)Cl 1 2.74 1 5 -6.71345427308725 1159998 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NCCN3CCOCC3 1 1.808 2 4 0 -10.773740467188 1159993 COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=CSC(=N3)NC4=CC=C(C=C4)O 1 3.458 2 4 7.91050061542608 1159976 CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)C(=O)C 1 2.293 1 4 -9.6010100002821 1159733 CC1=CC=CC=C1OCC(=O)NNC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.077 3 5 0 -9.72828167161381 1159326 C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C(=C2)Br)N)Cl)C(=O)O 1 2.91 2 3 -4.92143265841052 1159320 C1=CC2=C(C(=C1)SCC(=O)OCC(=O)C3=CC=C(C=C3)Br)N=CC=C2 1 4.269 1 3 -12.6177233165572 1159202 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC=CO3 1 5.494 2 5 0 -1.56631107199779 1159154 CC1=CC(=NC(=N1)NNC(=O)C2=CC=C(C=C2)OC)NNC(=O)C3=CC=C(C=C3)OC 1 1.7 6 4 0 -3.5530322632736 1158981 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)NCC4=CC=CO4 1 1.736 6 3 0 -2.73304130910532 1158979 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 0.865 6 3 0 -1.84138641097235 1158978 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)OC)OC 1 2.372 4 3 0 -3.6690757700395 1158975 CCOC1=NC(=NC(=N1)NC2=CC=C(C=C2)OC)N3CCOCC3 1 1.967 5 3 0 -1.66847802687416 1158973 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)OC 1 1.618 5 3 0 -3.91577141576161 1158970 CCOC1=NC(=NC(=N1)NC2=C(C=CC(=C2)Cl)OC)OCC 1 3.734 4 3 0 -0.485853611063907 1158965 C1COCCN1C2=NC(=NC(=N2)NCC3=CC=CO3)NC4=CC=CC=C4F 1 1.958 6 2 0 -3.14561893987716 1158964 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C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)F)CC4=CC=CO4 1 4.463 2 3 -14.0144927507267 1155441 COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCCN4CCCCC4)OC 1 5.164 3 3 -15.6343584530399 1155435 CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCOCC4 1 3.099 3 4 0 -25.8686531073549 1155424 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC4 1 3.523 3 3 -22.2236973051279 1155413 C1COCCN1CCSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4 1 3.967 3 2 -14.6051116282308 1155412 C1CCN(CC1)CCSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4 1 5.197 3 1 -12.2065054173188 1155342 C1=CC=C(C=C1)C2=CN=C(N2)SCC(=O)NC3=CC(=CC=C3)O 1 3.004 3 2 -1.2662832949465 1155337 C1=CC=C(C=C1)N(CC2=CC=C(C=C2)Cl)C(=O)CSC3=NN=C(O3)CN4C5=CC=CC=C5N=N4 1 4.965 6 2 0 -18.7010686970116 1155333 C1=CC(=CN=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)F 1 2.85 3 1 -7.07525940479681 1155332 C1=CC=C(C(=C1)CSC2=NN=C(O2)C3=CN=CC=C3)F 1 2.85 3 1 -9.75129263302394 1155320 C1=CC=C(C(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O)Br 1 4.174 2 3 -10.8656390410198 1155314 CCN(CC)C(=O)CSC1=NN=C(O1)CNC2=CC=C(C=C2)F 1 2.041 4 2 -20.9184969687699 1155311 COC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3Cl 1 3.078 3 5 0 -16.2037337362588 1155282 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NN=C(O4)COC5=CC=C(C=C5)Cl 1 5.732 3 3 -13.8651397695185 1155279 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NN=C(O4)COC5=CC=CC6=CC=CC=C65 1 5.976 3 3 -15.8161382111375 1155275 CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53 1 5.553 3 3 -14.6926898974913 1155238 CN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CC=CS3 1 2.823 4 1 -16.586585018053 1155192 C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CO4 1 3.212 4 3 0 -16.8041276019011 1155188 C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CO4 1 3.205 4 3 0 -12.2709032101453 1155136 CN(C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2OC)C3=CC=CO3 1 2.629 4 3 0 -12.2214548138871 1155134 CN(C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CO3 1 2.645 4 2 -9.87788116342641 1155125 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC)C3=CC=CO3 1 2.772 4 3 0 -11.7984220066888 1155057 CCN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CN=CC=C3 1 2.068 5 1 -15.8484139125011 1155047 CCN(CC)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CN=CC=C3 1 2.804 5 1 -19.8192320404472 1155032 CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C)C3=CC=NC=C3 1 1.522 6 1 0 -12.4877166313369 1155030 CC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3)C 1 1.319 6 1 0 -12.2548373726381 1155029 CCN1C(=NN=C1SCC(=O)NC2=NOC(=C2)C)C3=CC=NC=C3 1 1.381 6 2 0 -20.4154105269517 1155010 C1CCN(C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4 1 2.889 5 1 -15.3444085079314 1154998 CCN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CC=NC=C3 1 2.068 5 1 -14.3859558875872 1154997 CN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CC=NC=C3 1 1.719 5 1 0 -14.1442223201632 1154993 CC(C)(C)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3 1 2.832 5 1 -19.3685345357593 1154989 CCN1C(=NN=C1SCC(=O)NC(C)(C)C)C2=CC=NC=C2 1 1.597 5 1 0 -16.8212891477913 1154984 CN(C)C(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC=NC=C3 1 1.288 5 2 0 -12.059012666897 1154981 C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)O)C3=CC=NC=C3 1 2.322 4 2 -13.6103053978639 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C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)N 1 2.873 5 3 0 -22.4973360083182 1154664 CCOC(=O)C1=C(OC(=C1)C(C)(C)C)CNC(=O)C2=C(OC3=C2CCCC3)C 1 4.331 1 5 -14.4999060903069 1154655 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCOCC2)C3CCCCC3 1 2.244 2 4 -12.6747712523254 1154648 C1CCC(CC1)N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.962 3 3 -14.9008159816245 1154580 CC1(OC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O1)C 1 1.797 1 7 0 -3.24218915750084 1154532 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3 1 2.218 5 2 0 -23.5917613309237 1154512 CC(C)(CO)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)S(=O)(=O)NC(C)(C)CO 1 1.401 2 6 0 -6.044485199647 1154486 CCN1C(=NN=C1SCC(=O)NC2CCCC2)CC3=CC=CC=C3 1 3.253 4 1 -18.8351192344273 1154484 CN1C(=NN=C1SCC(=O)NC2CCCC2)CC3=CC=CC=C3 1 2.905 4 1 -17.5623066915592 1154471 CN(C)C(=O)CSC1=NN=C(N1CC2=CC=CO2)CC3=CC=CC=C3 1 2.474 4 2 -16.4400227064983 1154436 CCN1C(=NN=C1SCC(=O)NC2=NOC(=C2)C)C3=CC=C(C=C3)C 1 3.018 5 2 0 -19.9465136958431 1154427 COC1=CC=C(C=C1)N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)CCl 1 2.638 2 3 -10.0861142481699 1154401 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=NN=C(S3)C(C)C 1 2.654 4 3 0 -15.6214301776198 1154399 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 1.495 3 5 0 -15.0900404597005 1154395 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 1.131 5 5 0 -21.5045837288926 1154379 CNC(=O)CSC1=NN=C(N1C)C2=CC=CC=C2 1 1.468 4 1 0 -12.0950712002874 1154358 C1CN(CCN1C2=CC=C(C=C2)N)C(=O)C3=CC=CS3 1 2.08 3 1 -5.2212550865889 1154355 C1CCC(C1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC=NC=C4 1 3.865 4 0 1.85362854446929 1154354 CCC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2)OC 1 4.132 3 4 0 -11.142495466553 1154352 CC1=CC2=C(C=C1)NC(=O)C=C2C(=O)OC(C)C 1 2.28 1 3 -10.7559876410629 1154254 CC(C)C1=C(N2C=C(C=CC2=N1)Br)NC3CCCC3 1 4.48 3 0 -1.87379997465907 1154227 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 1.382 2 5 0 -20.749096016999 1154224 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)OC 1 2.259 3 5 0 -17.3900819051223 1154206 C1=CC(=C(N=C1)Cl)NC(=O)C2=CC=CS2 1 2.291 2 1 -5.39628318327899 1154198 CCOC(=O)CC1=CSC(=N1)NC(=O)COC2=CC(=CC(=C2)C)C 1 3.087 2 4 -11.1374428814771 1154188 CC1=CC(=CC(=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3)C 1 3.19 1 4 -7.71005876856623 1154186 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.246 2 5 0 -13.4600266129695 1154165 C1=CC(=CC(=C1)F)C(=O)NCC2=CN=CC=C2 1 1.676 2 1 0 -8.72604794927462 1154162 CC1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC 1 4.119 1 3 -1.63512697673476 1154148 CC1=NC(=NC=C1)SCC(=O)N2CCCC3=CC=CC=C32 1 2.769 3 1 -14.7738836404114 1154135 CC1=NC=C(C=C1)C(=O)NN=CC2=CC(=CC=C2)OC(=O)/C=C/C3=CC=CO3 1 3.11 3 4 0 -12.5668475301582 1153966 CCOC1=CC=C(C=C1)CNC(=S)NN=CC2=CC(=C(C=C2)OC)OC 1 4.114 3 3 -11.8010224665621 1153965 COC1=CC=C(C=C1)CNC(=S)NN=CC2=CC(=C(C=C2)OC)OC 1 3.765 3 3 -10.9370694145797 1153963 CC(C)COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC3=CC=CC=C3O2 1 3.345 2 5 0 -7.7385639534218 1153961 CCOC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC3=CC=CC=C3O2 1 2.502 2 5 0 -5.36799466388104 1153934 CCOC(=O)C1=C(C2=C3CC(OCC3=C(N=C2S1)N4CCOCC4)(C)C)N 1 2.339 3 4 0 -16.0338406857521 1153922 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl 1 5.202 1 1 -6.40737305298275 1153917 CC1=CC=C(C=C1)N(CC(=O)NC2CCCCC2)C(=O)CN3N=C(N=N3)C4=CC=C(O4)C 1 3.292 6 3 0 -9.51216656315542 1153911 CC1=CC(=CC=C1)N(CC(=O)NC2CCCCC2)C(=O)CN3N=C(N=N3)C4=CC=C(O4)C 1 3.292 6 3 0 -9.7181584039429 1153808 C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)O)COC3=CC=CC4=CC=CC=C43 1 4.217 3 3 -16.9939368665937 1153704 CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)CSC4=NC(=CC(=N4)C)C 1 4.003 6 1 0 -21.4864855543244 1153671 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)COC3=CC=CC=C3OC 1 3.067 4 5 0 -21.649384919563 1153656 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)COC3=CC=CC=C3OC 1 2.847 4 4 0 -20.2969526398134 1153606 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=NC=C2 1 2.699 2 2 -2.20483414720787 1153594 COC1=CC=CC=C1N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl 1 3.356 2 3 -2.29522338445359 1153592 COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC 1 3.468 2 5 0 -9.91863588532287 1153590 CC1(CC(CC(N1)(C)C)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C 1 3.307 2 1 -16.8392981331034 1153571 CCOC(=O)C1CCN(CC1)C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3 1 3.473 1 3 -7.80179277587634 1153565 CC1=CC(=CC(=C1)NC(=O)CN2C3=CC=CC=C3N=C2CC(=O)NC)C 1 2.809 4 2 -8.96478751644616 1153564 C1CC2=CC=CC3=C2N(C1)C(=C(C3=O)C(=O)NN4C(=NC5=CC=CC=C5C4=O)CC6=CC=CC=C6)O 1 4.235 4 4 0 -10.0854520315573 1153539 CC1=C(C2=C(C=C1)C=C(C3=NN=C(N23)SCC(=O)C4=CC=CS4)C)C 1 5.693 3 1 -9.63783493193237 1153533 CC1=C(C2=C(C=C1)C=C(C3=NN=C(N23)SCC4=CC=C(C=C4)C(=O)O)C)C 1 5.697 3 2 -8.5156942770856 1153527 CC1=C(C2=C(C=C1)C=C(C3=NN=C(N23)SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)OC)C)C 1 5.362 5 2 0 -8.1806943866672 1153524 COC1=C(C=C(C=C1)CNC(=O)C2=C(N3CCCC4=CC=CC(=C43)C2=O)O)OC 1 3.256 2 5 0 -11.6861784015467 1153516 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=C(N(C3=C(C2=O)CCCC3)CC(C)C)O 1 3.494 3 5 0 -17.8634000677486 1153514 CCCN1C2=C(CCCC2)C(=O)C(=C1O)C(=O)NC3=NC(=CS3)CC(=O)OCC 1 3.175 3 5 0 -15.9822515828069 1153510 CCCN1C2=C(CCCC2)C(=O)C(=C1O)C(=O)NC3=NC4=CC=CC=C4S3 1 4.136 3 3 -7.26102986130362 1153506 CC1=C(C2=C(C=C1)C=C(C3=NN=C(N23)SCC(=O)N4CCCC5=CC=CC=C54)C)C 1 5.857 4 1 -13.3675735865148 1153505 C1CCC2=C(C1)C(=O)C(=C(N2CC3=CC=CC=C3)O)C(=O)NC4=CC=C(C=C4)F 1 4.427 2 3 -7.15288686822377 1153504 CC1=C(C2=C(C=C1)C=C(C3=NN=C(N23)SCC(=O)NC4=NC5=C(S4)CCCC5)C)C 1 5.507 5 1 -14.1254151676223 1153439 CC1=CC2=C(C=C1)C=C(C3=NN=C(N23)SCC(=O)N4CCN(CC4)C(=O)C5=CC=CO5)C 1 3.539 5 3 0 -14.4301570413214 1153437 CC1=CC2=C(C=C1)C=C(C3=NN=C(N23)SCC(=O)C4=CC=CS4)C 1 5.206 3 1 -11.3892525516024 1153415 CC1=CC2=C(C=C1)C=C(C3=NN=C(N23)SCC(=O)N4CCCC5=CC=CC=C54)C 1 5.37 4 1 -15.1189912061848 1153414 CC1=CC2=C(C=C1)C=C(C3=NN=C(N23)SCC(=O)NC4=NC5=C(S4)CCCC5)C 1 5.021 5 1 -15.8768327872923 1153410 CC1=CC2=C(C=C1)C=C(C3=NN=C(N23)SCC(=O)N4CCC5=CC=CC=C54)C 1 4.914 4 1 -16.6483615330931 1153357 CC1=CC(=C2C(=C1)C(=CC3=NN=C(N32)SCC(=O)C4=CC=CS4)C)C 1 5.693 3 1 -10.6134064251528 1153290 CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC)C)C 1 4.789 2 5 0 -13.2175305859656 1153239 CC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC 1 3.816 2 5 0 -14.2579597599339 1153237 CC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=NC(=CS3)C4=CC=CC=C4 1 5.163 3 1 -3.10313505299611 1153206 CCN1C(=NN=C1SCC(=O)NC2=NOC(=C2)C)COC3=CC=CC(=C3C)C 1 3.34 5 3 0 -22.2690106456863 1153152 COC1=CC=C(C=C1)C2=NSC3=C2N=CN=C3SCC4=CC=CC=C4 1 5.286 3 1 -1.44135780119702 1153143 CCN(CC)C(=O)CSC1=NC=NC2=C1SN=C2C3=CC=C(C=C3)OC 1 3.666 4 2 -10.7110383424973 1153121 CC1=NC2=C(C(=NN2C(=C1)C(F)(F)F)C(=O)O)Cl 1 2.479 3 2 -8.01737839817307 1152991 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4N3 1 3.324 4 1 -3.86026216934053 1152952 CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)NC(C)(C)C 1 2.826 3 3 -17.9577161593787 1152904 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC=CS3 1 0.416 3 4 0 -22.3449095946809 1152902 C1CN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.7 2 4 0 -25.9720234318582 1152895 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3Cl 1 2.083 2 4 -20.2507643645335 1152893 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.386 2 6 0 -22.9127390614738 1152891 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.751 2 5 0 -21.5209277915893 1152883 C1CCC(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.701 2 4 0 -22.71140425868 1152880 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.391 2 4 -23.0137697329388 1152878 CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.391 2 4 -19.2451693640536 1152876 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.905 2 4 0 -20.3417384307371 1152873 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.345 2 5 0 -14.3374061996512 1152871 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3CC3 1 1.251 3 4 0 -25.642875525535 1152869 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 2.111 3 4 0 -17.027090218264 1152832 COC1=CC=C(C=C1)NC(=S)NNC(=O)CNC2=CC=C(C=C2)Cl 1 3.582 4 2 -8.42153508724689 1152819 CCOC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)NC(=O)C 1 1.889 6 3 0 -24.2704493538335 1152813 COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NC4=C(S3)CCCC4 1 2.807 6 2 0 -23.7425426450902 1152811 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)NCC4=CC=CC=C4 1 2.433 4 4 0 -28.9738922016488 1152793 CC1=NN=C(S1)SCC(=O)N(C)C2CCCCC2 1 2.23 3 1 -18.7487172167442 1152787 CC1=NN=C(S1)SCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3 1 1.25 3 4 0 -22.5328380267337 1152781 C1CCC(CC1)C(=O)NC2=NC3=CC=CC=C3N2CCN4CCCCC4 1 4.395 4 1 -1.92883669539806 1152764 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F 1 3.007 2 3 -13.9360719175504 1152755 CC1=CC(=C(C=C1C(=O)N2C(=CC(=N2)C)C)F)F 1 3.253 2 1 -5.7223107300078 1152744 CCOC(=O)CCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CC=C2 1 4.735 2 2 -6.11247118413194 1152716 COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 5.488 3 4 0 -16.3964023602598 1152712 COC1=CC=CC=C1CCNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 4.775 3 3 -12.2750996484241 1152708 C1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.134 3 4 0 -20.9800250475732 1152682 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 5.386 4 2 0.633058411788097 1152679 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCCCCC3 1 2.615 3 3 -21.7433305794885 1152676 C1COCCN1NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 2.288 4 3 0 -6.53094041354452 1152669 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC3CCCCC3 1 2.564 3 3 -20.5508603205494 1152663 C1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.364 3 3 -18.4147600158133 1152661 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC3CCCC3 1 1.856 3 3 0 -17.4591179324514 1152659 C1CCC(CC1)NCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.313 3 3 -17.4591179324514 1152657 CC1CCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.159 3 3 -21.6294315899172 1152653 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCCC3 1 1.451 3 3 0 -18.4147600158133 1152648 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 5.435 3 2 -6.43531439698546 1152634 C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 5.52 3 2 -7.87239452371182 1152616 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 3.565 4 4 0 -10.9330810526801 1152592 C1COCCN1CCNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 2.713 4 3 0 -10.393949017716 1152576 COC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.497 3 5 0 -25.0808787271855 1152569 C1=CC=C(C=C1)CCNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 4.791 3 2 -8.31411233396815 1152562 C1CCN(C1)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 1.517 4 4 0 -25.104553436184 1152555 C1CCC(C1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 4.288 3 2 -7.27245364448233 1152543 CN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 3.05 4 2 -2.70188143234956 1152538 CCN(CC)C(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.753 4 4 0 -28.7642527402753 1152528 C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4)C#N 1 5.512 4 2 -18.5185193138915 1152507 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 1 5.405 3 2 -6.42439225214908 1152505 CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3)C 1 5.435 3 2 -4.50614580804175 1152385 CC(C)CNC(=O)CSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CS2 1 4.636 3 1 -12.4178205630266 1151948 C1=CC=C(C=C1)CN2C(=NN=C2SCCC(=O)O)CNC3=CC=C(C=C3)Cl 1 4.046 4 2 -15.9589099067053 1151937 CC(C)OC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CNC3=CC=C(C=C3)Cl 1 4.75 4 2 -18.9342911386455 1151885 CN1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CO4)C(F)(F)F 1 2.615 5 2 0 -7.99764721060859 1151867 CC1=C(C=C(C=C1)NCC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)O)Cl 1 4.284 4 2 -17.6226320436575 1151847 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CC4=CC=CC=C4C3 1 2.895 2 3 -10.6629152812726 1151775 CC1CCC(CC1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3 1 3.021 2 2 -14.9442996843987 1151771 C1CN(CCN1C2CC3=CC=CC=C3C2)S(=O)(=O)CC4=CC=CC=C4 1 2.919 2 2 -11.6728496704803 1151723 CCN1C(=NN=C1SCC(=O)NNC(=O)C2=CC=C(C=C2)OC)C3=CN=CC=C3 1 1.483 6 3 0 -15.9279580855436 1151719 CN1C(=NN=C1SCC(=O)NNC(=O)C2=CC=C(C=C2)OC)COC3=CC4=CC=CC=C4C=C3 1 3.029 5 4 0 -14.2116224821946 1151713 CN1C(=NN=C1SCC(=O)NNC(=O)C2=CC=C(C=C2)Cl)C3=CN=CC=C3 1 1.815 6 2 0 -13.4512596183887 1151712 CCCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.642 2 3 -19.3424958314846 1151711 CN1C(=NN=C1SCC(=O)NNC(=O)C2=CC=C(C=C2)OC)C3=CN=CC=C3 1 1.134 6 3 0 -15.6862245181196 1151703 CCCS(=O)(=O)N1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=CC=CC=C3 1 2.477 2 4 -20.7697782431702 1151697 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3 1 0.983 3 4 0 -25.752445922209 1151687 C1CCC(CC1)N(C2CCCCC2)C(=O)C3=CC=C(C=C3)N4C=NN=N4 1 3.847 5 1 -15.8475867294876 1151682 C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)Cl 1 3.871 3 3 -11.9764425733196 1151680 CC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)SCC(=O)C3=CC=C(C=C3)OC)C 1 5.459 2 3 -5.67907654772739 1151669 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3CCCC3 1 1.656 3 4 0 -25.2840535161324 1151655 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3F 1 1.154 3 4 0 -22.8820914679319 1151649 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.984 2 6 0 -21.1855533166505 1151641 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC 1 2 2 5 0 -21.7440872059758 1151587 CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.118 2 3 -16.8173002671039 1151584 CCS(=O)(=O)N1CCN(CC1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 2.129 2 3 -25.3089235258352 1151581 CCS(=O)(=O)N1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=CC=CC=C3 1 1.954 2 4 0 -18.2445826787895 1151570 COC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3 1 1.818 2 4 0 -22.5754849985545 1151569 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C 1 2.365 6 1 0 -24.6042477999513 1151563 C1CN(CCN1C(=O)C2=CC=CS2)S(=O)(=O)CC3=CC=CC=C3 1 1.788 2 3 0 -24.5170419167423 1151553 C1CN(CCN1C(=O)C2=CC(=CC=C2)F)S(=O)(=O)CC3=CC=CC=C3 1 2.04 2 3 -18.0123425964096 1151543 CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)OC 1 2.947 4 2 -17.4808579038877 1151537 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C 1 3.45 4 1 -15.465936962273 1151521 C1CN(CCN1C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 1.586 3 3 0 -19.033366097704 1151515 CC(C)CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.447 2 3 -20.2214641262439 1151514 COC1=CC=C(C=C1)OCC2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O 1 3.244 2 5 0 -15.6485346310971 1151511 COC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)NC3CCCCC3 1 2.949 3 4 0 -21.3558013719164 1151509 COC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)N3CCOCC3 1 0.984 3 5 0 -20.7560934702599 1151508 C1CN(CCN1C(=O)C2=CC=CC=C2F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 2.942 2 3 -16.8541828773323 1151507 C1CCC(CC1)NC(=O)CSC2=NN=C(O2)COC3=CC=C(C=C3)Br 1 3.714 3 3 -20.4322196460873 1151505 C1COCCN1C(=O)CSC2=NN=C(O2)COC3=CC=C(C=C3)Br 1 1.749 3 4 0 -19.8325117444308 1151501 C1CN(CCN1C(=O)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.757 3 5 0 -23.6748802167884 1151486 CCC1=CC=C(C=C1)OCC2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O 1 4.203 2 4 -15.7464299646393 1151484 CCC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)N3CCOCC3 1 1.943 3 4 0 -20.4372888256953 1151466 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(O4)C5=CC=C(C=C5)OC 1 5.154 3 3 2.12334170934252 1151462 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(O4)C5=CC=NC=C5 1 4.02 4 2 3.13107080097608 1151435 C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.736 2 4 0 -14.1011301604687 1151433 CCCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F 1 1.032 2 4 0 -26.0295318828889 1151391 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.239 2 5 0 -12.7917582491498 1151278 COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N/C=C/3\CCCCC3=O 1 1.815 4 4 0 -13.4769920558478 1151225 C1COCCN1CC(=O)NNC2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4 1 2.803 5 2 0 4.87909321650926 1151133 CC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2C(=O)C3=CC=C(C=C3)OC 1 3.759 2 3 -5.89450725711616 1151089 C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)F 1 2.804 5 2 0 -18.3382507738016 1151087 C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 1.917 3 3 0 -7.5821620879453 1151080 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)CNC3=CC=C(C=C3)F 1 3.332 4 2 -15.2605942835987 1151027 CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=C(C(=C(S3)C)C)C#N 1 3.828 5 1 -18.6448138065059 1151014 CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)NC5=CC=CC=C54 1 5.272 4 2 -14.687161060981 1151012 CC1=CC(=CC=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)NC5=CC=CC=C54 1 5.272 4 2 -13.5660031354524 1151011 CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)NC5=CC=CC=C54 1 5.272 4 2 -14.5604516980664 1151007 CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)CC(=O)NC4=CC=CC=C4 1 5.018 4 2 -8.7261137631189 1150969 CCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC(=N3)C 1 2.459 4 4 0 -15.073705442113 1150965 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC(=N3)C)OCC 1 2.792 4 5 0 -19.1589805549696 1150960 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC(=O)C 1 1.247 5 4 0 -16.116618610645 1150948 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C 1 3.338 5 4 0 -17.8905806630572 1150946 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 2.332 4 3 0 -14.364546265888 1150931 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)OC 1 2.145 4 4 0 -13.8958152408366 1150928 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC 1 2.11 4 4 0 -13.3396670830359 1150924 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 2.569 2 5 0 -11.5579450669789 1150894 CC1=CC2=C(C=C1C)N(C=N2)C(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C 1 5.183 3 2 -4.88676580779393 1150890 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 0.831 5 5 0 -29.9576057917443 1150884 C1=CC(=CC=C1CNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N 1 1.885 3 5 0 -12.1632252090937 1150880 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N 1 3.202 3 4 0 -20.5223754639341 1150878 C1=CC(=CC=C1CNS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)N 1 2.358 2 4 -4.37786405219573 1150860 C1=CC(=CC=C1F)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 3.043 3 4 0 -0.553667849148811 1150857 C1=CC(=CC=C1S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl 1 3.501 3 4 0 0.556453815972756 1150854 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.766 2 3 -3.65357164511738 1150841 CC1=CC(=C2C(=C1)C(=CC(=N2)C)NC3=CC=C(C=C3)C(=O)N4CCOCC4)C 1 3.923 3 2 -1.9461173796666 1150834 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 2.15 4 4 0 -16.0754343840749 1150831 C1CCC(C1)CCC(=O)NC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 2.963 3 2 -17.6468895641449 1150820 CC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 2.577 3 3 -12.8925990149201 1150812 C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 1.985 4 5 0 -15.9814453648914 1150809 C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl 1 2.755 3 3 -12.0650488869473 1150803 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 3.656 3 2 -8.91098922312468 1150794 C1=CC=C2C(=C1)N=NN2CCC(=O)NC3=NN=C(S3)COC4=CC=CC=C4F 1 2.965 6 2 0 -19.3200825093449 1150758 COC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=C(C=CC=C3OC)OC 1 2.964 3 4 0 -9.23647535842273 1150669 CCOC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)OC(=O)C)C(=O)C)C 1 3.891 1 4 -4.93255670846526 1150667 CC1=C(C2=C(N1CCC3=CC(=C(C=C3)OC)OC)C=CC(=C2)OC)C(=O)C 1 4.07 1 4 -8.46207428670864 1150609 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C 1 3.929 4 1 -15.955217111157 1150544 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)C3=CC=NC=C3 1 1.877 5 2 0 -11.403127974005 1150542 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3 1 2.098 5 3 0 -15.4125686734179 1150498 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(O3)SCC4=CC=CC=C4Cl 1 5.434 3 3 -9.25655243983632 1150461 CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53 1 5.914 4 1 -6.14446429840689 1150457 CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=NC4=C(S3)CCCC4 1 3.918 5 1 -11.0771953135971 1150440 CCN1C(=NN=C1SCC(=O)NC2=NOC(=C2)C)C3=CC(=CC=C3)C 1 3.018 5 2 0 -17.4023443945253 1150325 C1COCCN1C(=S)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4F 1 4.643 2 1 -8.41593912910069 1150323 C1COCCN1C(=S)C2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F 1 4.643 2 1 -6.87354490560812 1150278 C1=CC=C2C(=C1)N=C(N2CC(=O)O)CCS(=O)(=O)C3=CC=C(C=C3)Br 1 3.332 2 4 -11.8452933039363 1150276 COC(=O)CN1C2=CC=CC=C2N=C1CCS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.473 2 4 -10.9855507877061 1150271 C1=CC(=CC(=C1)O)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4 1 2.417 5 3 0 -11.4021480853478 1150234 COC1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.168 2 6 0 -6.66457855296756 1150220 CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)CC(=O)O)OC 1 2.68 1 6 0 -26.7580276542528 1150217 COC1=C(C=C(C=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)CC(=O)O)Cl 1 3.012 1 5 -22.454392945618 1150216 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)C5=CN=CC=C5 1 3.918 6 2 0 -7.93062461696063 1150215 CCOC1=CC=C(C=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)CC(=O)O 1 2.697 1 5 -21.1960534388822 1150213 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)C5=CN=CC=C5 1 3.451 5 3 0 -16.0174287807724 1150014 CC1=CC(=CC=C1)CCN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=S)NC 1 4.518 3 3 -12.2486389963058 1149999 CCNC(=S)N(CCC1=CC=CC=C1C)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC 1 4.866 3 3 -14.6506006903037 1149992 COC1=CC=CC=C1C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)CC(=O)O 1 2.348 1 5 -20.3973303949547 1149988 CC1(CC2=C(C(C3=C(N2CC(=O)O)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C 1 3.247 1 6 0 -26.8011828592569 1149985 CC1(CC2=C(C(C3=C(N2CC(=O)O)CC(CC3=O)(C)C)C4=CC=CC=C4OC)C(=O)C1)C 1 3.264 1 5 -21.6222855350559 1149974 CNC(=S)N(CC1=CC=CS1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC 1 3.45 3 3 -15.7586315192225 1149957 CC1=CC=C(C=C1)NC(=S)N(CC2=CC=CS2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC 1 5.791 3 3 -15.0202616831679 1149956 COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NC4=CC=CC=C4)OC 1 5.305 3 3 -15.2743100480661 1171832 CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCCC3)C(=S)NC4=CC=CC=C4OCC 1 5.278 4 3 0 -13.0710801801102 1171812 CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCCC3)C(=S)NC4=CC=CC=C4OC 1 4.93 4 3 0 -12.9921714345736 1149729 CC1=CC=C(C=C1)OCC(=O)NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 1.016 3 5 0 -13.0841327200559 1149724 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)COC2=CC=CC(=C2)C 1 2.1 2 6 0 -12.5129031034784 1149718 CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)COC2=CC=C(C=C2)C 1 2.1 2 6 0 -13.6047458926172 1149716 CC1=CC=C(C=C1)OCC(=O)NNS(=O)(=O)C2=CC=C(C=C2)C(=O)OC 1 1.751 2 6 0 -12.2675157494322 1149751 CNC(=S)N(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C3CCCC3 1 3.529 3 3 -15.3555130454086 1149731 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.273 3 5 0 -18.1706658346908 1149679 CC1=CC=CC=C1NC(=O)CCN2CCN(CC2)C/C=C/C3=CC=CC=C3 1 3.699 3 1 -0.50111562837814 1149687 COC1=CC(=CC(=C1)NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3)OC 1 2.712 3 3 -4.2955125399144 1149690 COC1=CC=C(C=C1)CC(=O)NCC2(CCCC2)C3=CC(=C(C=C3)OC)OC 1 4.062 1 4 -19.9399715176948 1171663 COC1=CC=C(C=C1)CN2C(=NN=N2)CN(CCCN3CCOCC3)CC4=CC5=C(C=CC(=C5)OC)NC4=O 1 1.812 7 4 0 -19.4346022232643 1171648 COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CS3)CC4=NN=NN4CC5=CC=CC=C5 1 3.264 6 2 0 -20.2696449075862 1171545 COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)CC4=NN=NN4CC5=CC=CC=C5 1 3.264 6 2 0 -20.2135957729146 1149664 COC1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC 1 4.398 4 4 0 -16.8564525746164 1149663 CCOC(=O)N1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)OC)OC 1 1.38 3 5 0 -8.0531660763338 1149662 COC1=CC(=C(C=C1)OC)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3OC 1 2.784 3 4 0 -4.2379025858272 1149653 CC1=CC(=C(C=C1)C)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3F 1 4.012 3 1 -1.12266642945658 1149647 CC1CCN(CC1)CCC(=O)NC2=CC=CC(=C2)C 1 2.859 2 1 -4.14449604665591 1149641 CNC(=S)N(CC1=CC=CO1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC 1 2.892 3 4 0 -17.5314164331351 1149630 C1CN(CCN1CCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 1 2.602 3 3 -3.13510885267967 1149625 COC1=CC=CC=C1N2CCN(CC2)CCC(=O)NC3=CC4=C(C=C3)OCO4 1 2.585 3 4 0 -5.06776978115563 1149617 CCOC(=O)C1CCN(CC1)CCC(=O)NC2=CC(=C(C=C2)Br)C 1 3.115 2 3 -6.36985530617667 1149599 CC1=C(C=CC(=C1)NC(=O)CCN2CCC(CC2)C(=O)N)Br 1 1.913 3 2 0 -3.08633253506947 1149589 CCOC(=O)C1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)Br 1 2.629 2 3 -6.15263430533601 1149587 CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)Br 1 2.162 3 3 -5.09755965396934 1149581 C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)Br)CCO 1 1.371 3 2 0 -1.55227622500784 1149496 C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl 1 3.688 2 3 -5.34720709896245 1149429 C1COCCN1C2=NC(=NC(=N2)OC3=CC4=C(C=C3)OCO4)NC5=C(C=C(C=C5)F)F 1 3.39 5 4 0 -2.15637474625522 1149349 CC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(S2)C(NC(C3)(C)C)(C)C)C#N 1 3.67 3 2 -24.1929420715705 1149347 CC1(CC2=C(C(N1)(C)C)SC(=C2C#N)NC(=O)COC3=CC=CC=C3)C 1 3.184 3 2 -24.6811760835393 1149340 CC1(CC2=C(C(N1)(C)C)SC(=C2C#N)NC(=O)CC3=CC(=C(C=C3)OC)OC)C 1 3.35 3 3 -28.8178545984387 1149334 CCCC(=O)NC1=C(C2=C(S1)C(NC(C2)(C)C)(C)C)C#N 1 2.807 3 1 -29.0211596253438 1149318 CN1C(=NN=C1SCC(=O)OC2CCCCC2)COC3=CC=CC4=CC=CC=C43 1 4.717 3 3 -13.0808016577274 1149305 CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)NCC3=CC=CO3 1 2.555 4 3 0 -19.463502933197 1149220 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=CC=CC=C32 1 2.989 2 4 -4.80563780710489 1149131 CC(C)(C)C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 1 3.807 2 3 -16.2453535831503 1149090 CC(=NNC(=S)N)C1=CC(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3 1 5.061 3 0 -1.36832999124665 1149082 CN1C2=C(C(=O)N(C1=O)CCO)N(C(=N2)Br)CC3=CC=CC=C3 1 1.929 4 3 0 -11.8969793391816 1148932 CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3OC 1 2.856 3 3 -20.6312138459318 1148929 CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)OC 1 2.856 3 3 -17.3440523105083 1148925 CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=CC=C2)OC 1 1.73 4 4 0 -12.3925531131607 1148868 CC(=NNC(=O)C1=C(C=C(C=C1)Cl)Cl)C2=CC(=CC=C2)NC(=O)C 1 3.113 3 2 -5.54303581272443 1148827 COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)OC 1 2.398 1 6 0 -11.842075850708 1148829 COC1=C(C=C(C=C1)Cl)N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C 1 2.401 3 4 0 -8.91825895888929 1148865 CCOC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C(=O)OCC)S(=O)(=O)C 1 0.754 3 6 0 -14.077159326564 1148862 COC1=C(C=C(C=C1)Cl)N(CC(=O)N2CCCCCC2)S(=O)(=O)C 1 2.234 2 4 -12.7512267590648 1148861 COC1=CC(=C(C=C1)N(CC(=O)NCC2=CC=CO2)S(=O)(=O)C)OC 1 0.739 2 6 0 -19.6547408101385 1148854 COC1=C(C=C(C=C1)N(CC(=O)NCC2=CC=CO2)S(=O)(=O)C)Cl 1 1.42 2 5 0 -20.1343865614265 1148772 CS(=O)(=O)N(CC(=O)NCC1=CC=NC=C1)C2=CC(=CC(=C2)Cl)Cl 1 1.768 3 3 0 -14.6723115224897 1148765 COC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4 1 3.092 2 4 -4.38260512959372 1148735 COC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 2.332 2 5 0 -19.873680828382 1148718 CC1CCN(CC1)C(=O)CN(C2=C(C=CC(=C2)Cl)OC)S(=O)(=O)C 1 2.029 2 4 -15.4403363629692 1148715 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CN=CC=C2)C3=CC(=C(C=C3)OC)Cl 1 3.143 3 4 0 -15.050086988226 1148713 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 2.362 2 4 -14.1857431856493 1148711 CC1=CC(=C(C=C1)N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C)C 1 1.648 4 4 0 -24.1903418209379 1148702 CC1=C(C=C(C=C1)Cl)N(CC(=O)N2CCCCCC2)S(=O)(=O)C 1 2.736 2 3 -12.3356011921907 1148700 CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C3=CC=CC=C3 1 2.97 3 5 0 -14.8387275195572 1148693 COC1=C(C=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C)Cl 1 2.401 3 4 0 -11.1824430351048 1148691 COC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.146 2 4 -14.657310875711 1148673 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4CCOCC4 1 2.634 3 2 -1.45048079778007 1148640 COC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.976 3 5 0 -15.1834754990113 1148631 COC1=CC(=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C)OC 1 1.72 3 5 0 -10.7027972838168 1148621 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCOCC4 1 2.618 3 3 -3.38314172625603 1148607 CS(=O)(=O)N(CC(=O)NC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)Cl 1 2.015 2 5 0 -13.3387406751845 1148604 CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 2.834 2 4 -19.4607146192379 1148599 CCC1=CC=CC=C1N(CC(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C 1 2.784 3 3 -12.0328552108615 1148591 CC(=NNC(=O)C1=CC=CC=C1Cl)C2=CC(=CC=C2)NC(=O)C 1 2.448 3 2 -9.8461298038245 1148569 CC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.479 3 4 0 -14.6343681626256 1148538 C1CN(CCN1CC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C(=O)C4=CC=CO4 1 2.751 3 3 -2.41915246174178 1148531 CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CC(NC(C2)(C)C)(C)C 1 3.456 3 2 -18.0709306942951 1148527 CC1=C(C=CC(=C1)Cl)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3 1 2.383 3 3 -7.0234650752803 1148521 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCNC3=CC(=O)CC(C3)(C)C 1 3.877 4 3 0 -28.6656277820559 1148519 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3 1 4.793 3 2 -12.0824145085873 1148420 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2)C)O)SC3=NNC(=N3)C 1 3.708 4 3 0 -2.92546243323756 1148229 C1CN(CCN1CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.445 3 2 -9.12642062706807 1148182 COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC)OC 1 4.254 2 4 0.255560521738402 1148145 COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.52 2 5 0 -5.89280986271537 1148134 COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CO3)OCC4=CC=CC=C4 1 3.73 2 4 -5.45376802200705 1148103 C1CN(CCN1CC2=CC=CC=N2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 3.367 3 1 -0.177643238765202 1148088 C1CN(CCN1C(=O)CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.054 3 4 0 -11.4036970430066 1148082 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CS3 1 2.267 2 3 -23.1651600888781 1148081 COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C(=O)C3=CC=CS3 1 2.045 2 4 -13.7502989818807 1148076 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3 1 2.819 2 6 0 -8.57580367737837 1148067 COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3)OC 1 2.127 2 4 -12.2839995000273 1148054 COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43 1 3 2 4 -6.21551596141077 1148052 C1CN(CCN1C(=O)COC2=CC=C(C=C2)Cl)C(=O)C3=CC=CS3 1 2.578 2 3 -10.499260636195 1148040 C1CN(CCN1C(=O)COC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.854 3 5 0 -9.55164665553942 1148038 COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F)OC 1 2.297 2 4 -5.71206547283089 1148036 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3 1 2.349 2 3 -21.5804824294312 1148034 COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 3.61 2 4 -5.23515810931458 1148031 C1CN(CCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F 1 2.225 3 4 0 -4.40251833227673 1148014 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F 1 2.519 2 3 -16.6604607685453 1148001 C1CN(CCN1C(=O)COC2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=CS4 1 2.822 2 3 -9.87213269507884 1147998 COC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.811 2 4 0 -22.2170070364511 1147989 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CS3 1 1.765 2 4 0 -23.5781262980222 1147964 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3CCCC3 1 2.519 2 4 -21.5250562324987 1147959 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl 1 2.476 2 4 -15.4250466468341 1147954 C1CN(CCN1C(=O)COC2=CC=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)F 1 2.83 2 3 -3.99456131586231 1147953 C1CN(CCN1C(=O)COC2=CC3=CC=CC=C3C=C2)C(=O)C4=CN=CC=C4 1 1.718 3 3 0 -7.66730257221419 1147951 C1CN(CCN1C(=O)C2=CC=CS2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.608 2 2 -16.3200979983546 1147944 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.887 2 4 0 -15.9272142156949 1147919 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC 1 2.459 2 5 0 -20.6339655408543 1147903 C1CN(CCN1C(=O)COC2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.763 3 5 0 -6.51689178534282 1147892 COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CN=CC=C3)OC 1 0.941 3 4 0 -9.87209676607734 1147880 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3 1 1.647 2 5 0 -20.1609902658263 1147868 CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.354 2 2 -6.81174264529859 1147866 C1CN(CCN1C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.342 3 3 0 -19.1383312754266 1147805 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)F 1 4.795 3 1 -10.2201628325395 1147803 CCOC(=O)CC1=CSC(=N1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.163 3 5 0 -13.3731462034046 1147780 COC1=C(C=C(C=C1)Cl)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 3.2 2 4 -2.89641942201429 1147746 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)C 1 1.767 6 3 0 -14.808080284034 1147722 CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 0.74 5 5 0 -24.9876304631442 1147713 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N 1 3.781 3 3 -13.0456697950511 1147682 CC1=CC(=NC(=N1)NC(=O)C2=C(C=CC=C2Cl)Cl)C 1 3.25 3 1 -7.77082290065623 1147669 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C)C 1 2.966 3 2 -4.12132741096312 1147667 CC(=O)NC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 1.673 3 4 0 -8.73951944423268 1147662 CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.885 2 4 -3.18878001879331 1147659 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C 1 3.525 2 3 -1.74479472405433 1147655 COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OC 1 2.733 2 5 0 -13.3443616447028 1147654 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=C(C=C4)Cl)Cl 1 3.881 2 3 -0.54624241709294 1147646 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C 1 4.154 3 4 0 -19.2393939502952 1147639 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC=CC=C4 1 2.262 2 4 -13.7684521948416 1147635 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C 1 2.669 3 3 -12.7423955145954 1147620 CCOC(=O)CC1=CSC(=N1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.311 2 4 -6.60527818503012 1147613 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C 1 3.532 2 3 -8.07617198935544 1147609 CCOC(=O)CC1=CSC(=N1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 1.965 2 5 0 -8.93290351898404 1147602 CC1=CC(=NC(=N1)NC(=O)C2=CC=CS2)C 1 1.875 3 1 0 -7.69728404357622 1147600 CC1=CC=CC=C1C(=O)NC2=NN=CS2 1 1.574 3 1 0 -10.8453398066931 1147596 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4Br 1 3.301 2 3 -2.71193590850061 1147593 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4Cl 1 3.217 2 3 -3.62698686455911 1147591 COC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C 1 2.749 2 4 -8.64651960001894 1147588 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.203 3 5 0 -12.5241416232331 1147586 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=CN=CC=C3 1 0.348 3 3 0 -7.54788395706381 1147584 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3 1 1.962 4 4 0 -13.7359734454303 1147568 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC 1 3.382 2 3 -1.86221031952699 1147557 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CS3 1 2.115 4 3 0 -16.2712932937181 1147556 C1=CC=C(C(=C1)C(=O)N)NC(=O)CC2=CC=CS2 1 1.605 2 2 0 -10.8432090759476 1147554 CC(=O)NC1=CC(=CC=C1)NC(=O)CC2=CC=CS2 1 1.723 2 2 0 -10.5039702359093 1147549 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 1 5.138 3 4 0 -1.43917848456544 1147545 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)C3=CC=CC=C3 1 3.005 2 4 0.439123479227002 1147488 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCC(CC2)C(=O)OCC 1 2.917 1 6 0 -14.3402685409048 1147475 CC1=CC(=NC(=N1)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(F)(F)F 1 2.496 5 2 0 -20.9292026659661 1147433 CC1=C(C(=CC=C1)C)NC(=O)CN2C(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.949 4 1 -6.8889508168763 1147396 CC1=C(C=CC(=C1)NC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl)NC(=O)C 1 3.189 4 2 -12.3226092434448 1147376 C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4 1 3.47 5 1 -12.372560581197 1147371 CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3)Cl 1 3.214 5 1 -6.96821258445197 1147366 C1=CC(=CN=C1)C2=NN=C(O2)SCC(=O)NNC(=O)C3=CC=C(C=C3)Br 1 1.703 5 3 0 -15.7251776965863 1147364 CC1=CC(=CC=C1)NCC2=NC(=NN2)SCC(=O)NC3=CC=CC=C3Br 1 4.109 5 1 -8.25686755026785 1147343 COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)O 1 5.234 2 3 -9.92950806688809 1147318 CCCN1C2=CC=CC=C2N=C1NCC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C 1 4.859 4 2 -7.72598133311195 1147317 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 1.951 3 3 0 -8.89790978908257 1147316 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)NC(=O)CN3CCCCC3)Cl 1 3.512 3 3 -5.77179443323139 1147315 CCN1C2=CC=CC=C2N=C1NCC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C 1 4.335 4 2 -6.36910021371305 1147309 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CNC3=CC=CC=N3 1 3.584 3 2 -3.88985363830333 1147245 C1=COC(=C1)CN(CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CC=C(C=C3)Cl 1 4.638 2 3 -9.06889513894042 1147244 CC1=CC=C(C=C1)C(=O)N(CC2=CC=CO2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.46 2 3 -10.0747648280088 1147240 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4 1 5.05 4 3 0 -14.6820448795118 1147212 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3 1 1.919 5 3 0 -14.6048208784251 1147200 CCC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)OC 1 3.511 3 2 -1.74091675131659 1147178 COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4 1 5.067 4 2 -15.7208621985654 1147166 CCOC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NNC(=O)C3=CC=CO3 1 1.421 6 4 0 -24.014015071667 1147161 CCC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)OC 1 2.207 6 3 0 -21.6255448001256 1147156 CCN1C(=NN=N1)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 3.279 5 1 -16.2081059995647 1147153 CN1C(=NN=N1)SCC(=O)C2=C(C=C(C=C2)OC)OC 1 1.446 4 3 0 -15.256485062341 1147139 CN1C(=NN=C1SCC2=CC(=O)NC3=CC=CC=C32)C4=CC=C(C=C4)Br 1 4.123 4 1 -10.6185295073271 1147132 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3OC)OC 1 2.387 5 4 0 -26.0475282230032 1147086 COC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N 1 2.657 4 3 0 -16.280900888981 1147085 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NNC(=O)C3=CC=CO3 1 1.609 5 3 0 -16.4808768901293 1147071 CC1=C(C=C(C=C1)N2C(=C(C(=C2C)C(=O)C)C(=O)C)C)NC(=O)C3=CC=CC=C3Cl 1 4.412 2 3 -8.90318446483529 1147066 CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)N5CCOCC5 1 3.29 4 1 -5.96744442729354 1147047 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C=C(C(=C3)C)C 1 3.364 3 3 -11.6918259282917 1147036 CCOC(=O)CN1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 2.755 2 3 -8.0054237675552 1147018 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCCN4CCOCC4 1 3.291 4 1 -0.807041312312972 1146989 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC=CC=C4 1 3.219 5 2 0 -16.8151236137567 1146903 CC(C)(CSC1=CC=CC=N1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.566 2 2 -7.83041292313014 1146899 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NNC(=O)C2=CC=CO2 1 4.316 2 4 -9.90798816036826 1146885 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC)S(=O)(=O)N(C)C 1 1.367 4 4 0 -19.0510087942374 1146881 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)OC)S(=O)(=O)N(C)C 1 2.014 3 5 0 -16.7857723580816 1146880 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N)S(=O)(=O)N(C)C 1 1.161 4 4 0 -15.7079353776815 1146874 C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)C(=O)N 1 2.226 5 3 0 -13.7285018677639 1146672 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)OC 1 1.517 4 4 0 -4.78077663976811 1146668 C1COCCN1CC(=O)NC2=CC(=C(C=C2)NC(=O)CN3CCOCC3)Cl 1 0.122 4 4 0 -7.79527704118827 1146581 CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.638 4 4 0 -32.8886195566879 1146583 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.162 3 5 0 -19.697149965179 1146584 COC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.659 3 6 0 -20.1101161743231 1146586 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.162 3 5 0 -20.5779506998005 1146589 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3 1 1.905 3 4 0 -18.7170056304962 1146591 COC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.889 3 5 0 -18.1519334528734 1146603 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CN3C=NC4=CC=CC=C43 1 2.95 6 2 0 -18.2131149301959 1146594 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CS3 1 1.859 3 4 0 -21.270319487953 1146447 C1CCC(=O)/C(=C/NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3)/C1 1 3.058 4 3 0 -5.83165081389121 1146427 CC1=CC(=CC=C1)NC(=S)N(CCN2CCOCC2)CC3=CC4=CC5=C(C=C4NC3=O)OCCO5 1 4.112 4 4 0 -12.2396903027982 1146426 CCOC1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC4=CC5=C(C=C4NC3=O)OCCO5 1 3.959 4 5 0 -15.1666873127579 1146424 COC1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC4=CC5=C(C=C4NC3=O)OCCO5 1 3.61 4 5 0 -14.4004641610499 1146420 CC1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC4=CC5=C(C=C4NC3=O)OCCO5 1 4.112 4 4 0 -13.9874979519057 1146349 C1COC2=C(O1)C=C3C=C(C(=O)NC3=C2)CN(CC4=CN=CC=C4)C(=S)NCC5=CC=CO5 1 3.143 4 4 0 -18.3935685621727 1146278 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CO3)C#N 1 2.559 4 3 0 -12.8574921598662 1146267 COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=NC(=N3)Cl)N4CCOCC4 1 2.228 6 2 0 1.4383186476847 1146255 CCOC1=CC=C(C=C1)N(CC2=C(NC(=C2C)C(=O)OCC)C)C(=O)C 1 3.293 2 4 -7.71806274988403 1146203 C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=C(C=C4)F 1 5.041 3 3 -7.30156239447172 1146170 C1=COC(=C1)CNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F 1 4.462 3 2 -10.2337052248803 1146134 COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=C(C4=C(S3)CCC4)C#N)C(F)(F)F 1 5.644 4 2 -19.1425405973616 1146111 COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C(F)(F)F 1 4.819 3 4 0 -8.14763196301827 1146052 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NC3CC3 1 2.297 4 2 -20.5215005379702 1146043 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.643 5 2 0 -15.4669401988833 1145711 CC1=CC(=NN1C2=NN=C(N2NC(=O)C3=CC(=C(C=C3)OC)OC)C)C 1 1.657 6 3 0 -15.3852153349342 1145709 COC1=C(C=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)OC 1 2.836 1 5 -14.6333307738021 1145660 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NN=CN2C3=CN=CC=C3 1 2.487 5 1 -14.7556894015826 1145657 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C3=CN=CC=C3 1 1.749 5 3 0 -18.2192164170501 1145638 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=CN2C3=CN=CC=C3 1 1.44 6 3 0 -15.9502234694629 1145601 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC(=C(C=C4)OC)OC)OC 1 5.122 2 4 0.913511268553432 1145408 C1CN(CCN1C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)CCCC(=O)O 1 2.916 4 3 0 -2.35399646963628 1145406 C1CN(CCN1C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)CCC(=O)O 1 2.46 4 3 0 -0.376991130536979 1145396 C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4 1 4.248 3 2 9.82443275960033 1145374 CC1=C(C=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C)C 1 2.725 3 3 -9.53777203218632 1145355 CCOC1=CC=CC=C1N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C 1 2.203 2 4 -20.5446837285402 1145346 COC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.201 1 5 -11.2058528085578 1145344 C1=CC=C(C=C1)CN(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.228 3 3 -18.7979833501243 1145331 COC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C 1 0.4 3 5 0 -14.2538959659284 1145029 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CN=CC=C3)OC 1 2.899 3 7 0 -17.4186671247226 1144988 CC1=CC=CC=C1OCC(=O)NN=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4 1 5.087 3 2 -5.91938712871645 1144952 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.105 2 6 0 -15.0350782422859 1144925 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CO2)C3=CC=C(C=C3)OC 1 2.818 2 5 0 -18.8802769626211 1144923 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 1 4.816 2 2 -9.20266102603104 1144877 CCOC1=CC=CC=C1N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.828 3 4 0 -17.1569684460411 1144752 C1COCCN1S(=O)(=O)/C=C/C2=CC=CC=C2 1 0.576 1 3 0 -4.50777591139573 1144741 C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=CC=C3)Cl 1 3.465 2 1 -3.39141148446607 1144705 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C 1 2.112 4 4 0 -6.68650250674505 1144702 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)O)O)C 1 1.925 4 5 0 -5.48376249434429 1144689 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=C(C=CC(=C4)OC)OC 1 4.01 4 3 0 1.00055387243526 1144671 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=C(C=CC(=C4)Cl)OC 1 4.69 4 2 3.28067490999866 1144666 CCOC1=CC=CC=C1NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC=CC=C4)C 1 4.375 4 2 -0.239108335741982 1144627 CC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.514 2 4 -17.2582829655503 1144624 CC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC 1 3.211 4 6 0 -17.7518681347397 1144497 CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC=CC=C3Br)N)C 1 3.586 3 1 -6.07755542096631 1144490 CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=C(C=CC(=C3)OC)OC)N)C 1 2.805 3 3 -7.39846271779544 1144489 CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=C(C=C(C=C3)OC)OC)N)C 1 2.805 3 3 -9.30583059646238 1144479 CC1=CC(=NC(=C1C#N)SCC2=NN=C(O2)C3=CC=CC=C3[N+](=O)[O-])C 1 3.378 5 3 0 -15.3320851376789 1144352 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)CC3=CC=CC=C3 1 4.213 3 2 -14.9004952281172 1144351 CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)CC3=CC=CC=C3 1 4.561 3 2 -15.7234293661844 1144272 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CC3=CC=CC=C3 1 3.412 4 2 -16.0940248882691 1144259 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C)CC3=CC=CC=C3 1 3.914 4 1 -15.681058679125 1144234 CN1C=C(C(=N1)C(=O)NNC(=O)CC2=CC=C(C=C2)Cl)Br 1 2.397 4 2 -5.40547913331198 1144233 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 3.287 3 3 -8.12860313648042 1144139 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)Br)S(=O)(=O)NC3=CC=CC=N3 1 3.725 3 3 -9.2965020019379 1144134 C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl 1 4.605 2 5 0 -11.8166793294359 1144118 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)S(=O)(=O)NC3=NC=C(C=C3)Cl 1 3.641 3 3 -8.47468293468427 1144109 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4 1 4.501 2 4 -13.3315428011242 1144103 C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Cl)C(=O)O 1 4.476 1 4 -3.8838948068942 1144056 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(N(C4=CC=CC=C4C3=O)C)O 1 1.843 4 4 0 -11.424058446447 1144020 CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C#N 1 5.441 4 2 -11.0924588220138 1144019 C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C#N 1 4.955 4 2 -12.1811378515714 1143972 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)OC 1 4.19 2 5 0 -7.00550681408845 1143970 C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4 1 5.076 3 2 -10.3366641759177 1143894 CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)OC)C(=O)CN3N=C(N=N3)C4=CC=CC=C4F 1 3.666 6 3 0 -12.3232279427957 1143875 COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.929 3 4 0 -11.6411883989884 1143869 COC1=CC=CC(=C1OCC2=CC=CC=C2Cl)CNC3=CC4=C(C=C3)NC(=O)N4 1 4.3 3 3 -10.8680564531465 1143801 C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 3.444 4 5 0 -14.5541353776348 1143779 CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC=C(C=C2)Cl 1 3.031 3 3 -5.31091764143553 1143752 CC1=CC(=C(C(=C1)C)NC(=O)CSC2=CC(=NC3=C2C=C(C=C3)OC)C)C 1 4.919 2 2 -6.70696929652636 1143679 CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4 1 5.071 2 2 -15.9616996340568 1143662 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C 1 3.708 3 2 -15.8865908515045 1143567 COC1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC3=CC=CC=C3O2 1 3.581 3 3 -4.86246862566487 1143554 COC1=CC(=C(C=C1Br)OC)S(=O)(=O)N2CCCCC2 1 2.579 1 4 -12.062094360616 1143553 COC1=CC(=C(C=C1Br)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3 1 2.543 2 5 0 -17.572929049078 1143549 CC1=CC(=C(C=C1C)Br)S(=O)(=O)NCC2=CN=CC=C2 1 2.894 2 2 -3.71903722410863 1143548 CC1=CC(=C(C=C1C)Br)S(=O)(=O)NCCN2CCOCC2 1 2.288 2 3 -6.44770486265039 1143546 COC1=C(C=CC(=C1Cl)Cl)S(=O)(=O)NCCN2CCOCC2 1 1.879 2 4 0 -7.17527122432765 1143545 COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCN2CCOCC2 1 1.299 2 4 0 -8.51072205426512 1143463 C1COCCN1CCNC(=O)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl 1 2.223 2 4 -14.453806119134 1143452 COC1=CC=CC(=C1)CN(CC(=O)NC2CCCC2)C(=O)CN3N=C(N=N3)C4=CC=CS4 1 2.753 6 3 0 -16.1497380639361 1143445 CCN1C(=O)C2=C(N=C(N2C)SCC(=O)N3CCC(CC3)C)N(C1=O)C 1 1.767 5 3 0 -19.9214865181115 1143426 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 2.155 2 4 -12.0218829273051 1143425 CCN1C(=O)C2=C(N=C(N2C)SCC(=O)NC3=CC=CC=C3)N(C1=O)C 1 1.968 5 3 0 -15.973072417524 1143424 COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4 1 2.138 2 5 0 -10.5780750055485 1143419 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4 1 4.588 3 2 -5.86858771615075 1143417 CCN1C(=O)C2=C(N=C(N2C)SCC(=O)NC3CCCC3)N(C1=O)C 1 1.794 5 3 0 -19.0459127514711 1143346 CCOC1=CC=CC=C1N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 1.683 2 6 0 -19.4832239763104 1143318 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CN=CC=C2)C3=C(C=CC(=C3)OC)OC 1 2.462 3 5 0 -14.1900716332504 1143291 CC1=C(C=C(C=C1)N(CC(=O)N2CCN(CC2)C3=CC=CC=C3OC)S(=O)(=O)C)C 1 2.798 3 4 0 -11.2947264275604 1143271 COC1=CC=C(C=C1)N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4 1 2.911 2 6 0 -16.7607638334623 1143263 CCN1C(=NN=C1SCC(=O)NNC(=O)CC2=CC=CC=C2)C3=CC=NC=C3 1 1.534 6 2 0 -13.4067638211454 1143260 CCN1C(=NN=C1SCC(=O)NNC(=O)C2=CC=CC=C2)C3=CC=NC=C3 1 1.499 6 2 0 -14.8481814189949 1143256 CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=CC(=C2)C)S(=O)(=O)C3=CC=CC=C3 1 2.484 3 5 0 -14.4132931146177 1143231 C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl 1 7.262 2 1 -1.09111673244889 1143222 CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C 1 0.388 3 7 0 -16.824870075567 1143213 COC1=CC(=C(C=C1)OC)N(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C 1 0.406 3 5 0 -17.9997619346729 1143207 CS(=O)(=O)N(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=CC=C(C=C3)F 1 1.959 3 3 0 -8.51244158237935 1143182 CC1CCN(CC1)C(=O)CN(C2=C(C=CC(=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 2.925 2 5 0 -18.0315633427558 1143181 CC(C)C1=CC=C(C=C1)N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.21 3 3 -19.546657648453 1143178 CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C 1 1.363 3 5 0 -10.1128855988718 1143175 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 0.531 4 4 0 -18.1200174785916 1143173 CC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)O 1 4.099 4 2 -16.1322977406939 1143148 CCOC(=O)N1CCN(CC1)C(=O)CCSC2=CC=C(C=C2)Cl 1 2.759 2 3 -5.14167051033261 1143134 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=CC=C(C=C3)Cl 1 2.765 3 2 -14.1805795499763 1143108 C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5 1 4.605 3 1 -3.93592678767479 1143083 CC1=CC(=C(C=C1)OC)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C 1 2.34 2 4 -16.9576608088761 1143072 CC1=NN(C2=C1C=C(S2)C(=O)NNC(=O)COC3=CC=CC=C3)C4=CC=CC=C4 1 3.247 4 3 0 -13.5465264676075 1143071 CC1=NN(C2=C1C=C(S2)C(=O)NNC(=O)COC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5 1 4.155 4 3 0 -13.2294827808807 1143046 CCOC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C 1 2.085 3 4 0 -10.4035079686968 1143042 C1CCC(CC1)OC(=O)CSC2=NN=C(O2)C3=CC=CC=C3NC(=O)C4=CC=CC=C4 1 4.562 3 4 0 -17.7509360377269 1143022 COC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C 1 1.737 3 4 0 -9.63728481698874 1143015 C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC=C(C=C2)Br 1 3.751 3 1 -9.10258507597849 1142967 CC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=NC=C4 1 3.7 6 2 0 -13.3434876801673 1142960 CC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3 1 1.637 6 2 0 -13.8108002840616 1142952 COC1=CC=CC(=C1)N(CC(=O)N2CCN(CC2)C3=CC=CC=C3OC)S(=O)(=O)C 1 1.809 3 5 0 -11.1243177681102 1142921 CC1=CC(=CC=C1)N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C 1 0.919 3 3 0 -12.6889329610575 1142876 CC1CCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.444 2 3 -16.5396447195829 1142864 CN(C1=CC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3 1 3.62 2 4 -13.8084452826227 1142856 COC1=C(C=C(C=C1)N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4)OC 1 2.895 2 7 0 -20.0453327160732 1142837 C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F 1 4.552 2 1 -6.18485711515623 1142793 C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4CCOCC4 1 3.662 2 2 -1.59223843633899 1142790 CC1=C(C=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C)C 1 1.36 3 6 0 -27.1941374377925 1142760 CC1=C(C=CC(=C1)C=C(C#N)C#N)N2CCCC2 1 3.125 3 0 2.88421517173355 1142615 CC1=C(C=CC=C1NC(=O)C2=CC(=CC=C2)OC)C3=NC4=C(O3)C=CC=N4 1 3.58 3 3 -0.44586667014002 1142582 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC(=CC=C3)NC(=O)C4=CC=C(O4)Br 1 4.126 1 4 -0.482826951938681 1142407 C1COCCN1C(=S)C2=CC=CC=C2OC(=O)/C=C/C3=CC=CC=C3 1 4.255 1 3 -7.95411791202774 1142142 CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4 1 3.388 3 3 -13.4058635341401 1142129 COC1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F 1 2.781 3 2 -5.26878452417907 1142116 C1CC2=C(C3=CC=CC=C31)N=C(N=C2C(F)(F)F)SCC(=O)NCC4=CC=CC=C4 1 5.675 3 1 -10.5812148635134 1142106 C1CC2=C(C3=CC=CC=C31)N=C(N=C2C(F)(F)F)SCC(=O)NCC4=CC=C(C=C4)F 1 5.881 3 1 -9.164883602319 1142103 COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5C(=O)OC 1 5.204 3 6 0 -19.3772698760586 1142101 COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5C(=O)OC 1 5.204 3 6 0 -19.4333190107302 1142094 CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5C(=O)OC 1 5.707 3 5 0 -19.6538775822053 1142092 CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5C(=O)OC 1 5.707 3 5 0 -19.4421308995922 1142088 CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5C(=O)OC 1 5.707 3 5 0 -20.0509962415493 1142028 CCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3 1 3.911 0 4 -3.95035227648068 1142014 COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)Br)OC 1 3.658 1 3 -10.3144284026374 1141973 COC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.932 1 5 -6.17543285392124 1141964 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2)OC 1 1.141 2 4 0 -9.77535389674186 1141912 CC1=C(N2C=C(C=CC2=N1)Br)C(=O)NN=CC3=CC(=CC=C3)OC 1 2.867 4 2 -1.51111013800031 1141909 CC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NN=CC3=CC(=C(C(=C3)OC)OC)OC 1 2.75 4 4 0 -6.85218394974639 1141877 CCOC1=CC=C(C=C1)N(CC(=O)NC2CCCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.774 2 4 -17.4996421164802 1141823 CC1=CC(=CC=C1)NC(=S)N(CCN(C)C)CC2=CC3=CC(=CC(=C3NC2=O)C)C 1 5.611 4 1 -10.2702387030212 1141822 CC1=CC(=CC=C1)NC(=S)N(CCN(C)C)CC2=CC3=C(C(=CC=C3)C)NC2=O 1 5.125 4 1 -10.4725307907012 1141819 CC1=CC(=CC=C1)NC(=S)N(CCN(C)C)CC2=CC3=C(C=CC(=C3)C)NC2=O 1 5.125 4 1 -11.5291848253725 1141750 CCC(=O)NC1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O 1 3.165 1 3 -0.769774411502063 1141748 CCC(=O)NC1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O 1 3.165 1 3 0.273002572645712 1141621 CNC(=S)N(CC1=CC=CS1)CC2=CC3=C(C=CC(=C3)OC)NC2=O 1 3.466 3 2 -12.4240591624909 1141651 COC1=CC(=C(C=C1)C(=O)NCC2(CCCC2)C3=CC(=C(C=C3)OC)OC)OC 1 4.011 1 5 -18.029653183536 1141652 CCNC(=S)N(CC1=CC=CS1)CC2=CC3=C(C=CC(=C3)OCC)NC2=O 1 4.164 3 2 -13.8068162745831 1141607 COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CS3)C(=S)NC4=CC=CC=C4 1 5.321 3 2 -11.9397376913345 1141603 CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NCC4=CC=CO4)C 1 5.221 3 2 -14.4836330515389 1141546 CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC=CS3)C(=S)NCC4=CC=CO4 1 5.221 3 2 -15.680262957163 1141518 CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NCC4=CC=CO4)C 1 5.221 3 2 -14.0313187051135 1141493 CC1=CC=C(C=C1)NC(=S)N(CC2=CC=CS2)CC3=CC4=CC(=CC(=C4NC3=O)C)C 1 6.796 3 1 -11.8381057806975 1141455 CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=CS3)C(=S)NCC4=CC=CO4 1 4.734 3 2 -14.3233977986979 1141433 CC1=CC=C(C=C1)NC(=S)N(CC2=CC=CS2)CC3=CC4=C(C(=CC=C4)C)NC3=O 1 6.31 3 1 -11.8538628649445 1141373 CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CS3)C(=S)NCC4=CC=CO4 1 4.734 3 2 -14.7924252364333 1141363 CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CS3 1 3.839 2 2 -9.53575999591478 1141355 CC1=CC(=CC=C1)NC(=S)N(CC2=CC=CS2)CC3=CC4=C(C=CC(=C4)C)NC3=O 1 6.31 3 1 -11.4466384804661 1141348 CC1=CC=CC=C1OCC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)C 1 3.602 2 4 -10.755652835581 1141347 CC1=C(C=CC(=C1)NC(=O)C2=CC=C(O2)Br)NC(=O)C3=CC=CO3 1 3.244 2 4 -9.59024635428068 1141346 CC1=CC=C(C=C1)NC(=S)N(CC2=CC=CS2)CC3=CC4=C(C=CC(=C4)C)NC3=O 1 6.31 3 1 -12.781008400556 1141337 CC1=C(C=CC(=C1)NC(=O)COC2=CC=C(C=C2)OC)NC(=O)C3=CC=CO3 1 3.099 2 5 0 -10.9578236890407 1141336 CC1=C(C=CC(=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CO3 1 2.675 2 4 -7.94748984915862 1141334 CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC=CO4 1 3.066 2 5 0 -13.2095072073741 1141329 CC1=CC(=CC=C1)OCC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)C 1 3.602 2 4 -9.73326684463843 1141325 CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)C 1 3.766 2 3 -9.51542608535295 1141323 CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)F)NC(=O)C3=CC=CO3 1 3.486 2 3 -8.61525246555389 1141321 CCC(=O)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)F 1 3.165 4 1 -3.75755135770882 1141319 CC1=C(C=CC=C1NC(=O)C2=CC=CS2)C3=NC4=CC=CC=C4S3 1 5.063 2 1 1.27447034876037 1141310 C1CC1C(=O)NC2=CC3=C(COC3=O)C=C2 1 1.317 1 3 0 -6.98358663526423 1141058 CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=C(C=C3)OC)C(=S)NC 1 4.213 3 2 -12.4972040847341 1141027 CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)OC)C(=S)NC 1 4.213 3 2 -12.6665070896503 1140896 C1COCCN1CCNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3 1 3.318 4 2 -11.3883306292418 1140873 C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CS3)C(F)(F)F 1 4.815 3 1 -11.9334843947573 1140859 C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CO3)C(F)(F)F 1 4.256 3 2 -11.2387192271227 1140856 C1CC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4 1 5.66 4 1 -19.2040908045326 1140843 C1COCCN1C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3 1 3.385 3 2 -8.02159586851973 1140756 COC1=CC=CC(=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)N4CCC5=CC=CC=C5C4 1 4.476 4 2 -13.7441026214149 1140752 CC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.795 4 4 0 -24.0862722015198 1140730 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CSC4=NC(=O)C=C(N4)N 1 3.316 5 1 -12.3023909281482 1140714 CC(=O)NC1=CC=C(C=C1)NC(=O)CS(=O)CC(=O)NC2=CC=C(C=C2)OC 1 6.e-002 3 5 0 -4.58560308050435 1140677 CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)C 1 2.661 3 3 -16.7138530862521 1140665 CC(=O)NC1=CC=C(C=C1)N(CC(=O)NC2CCCCC2)C(=O)CN3N=C(N=N3)C4=CC=CC=C4 1 2.386 7 3 0 -13.7509786234608 1140664 CC(=O)C1=CC(=CC=C1)N(CC(=O)NC2CCCCC2)C(=O)CN3N=C(N=N3)C4=CC=CC=C4 1 3.005 6 3 0 -14.131592384199 1140658 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NCCS3 1 3.265 3 3 -21.4586045357319 1140643 CC1=CC(=C(C=C1)C)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)NCC4=CC=CO4)/C#N 1 4.218 4 3 0 -25.824560682536 1140634 CC1=C(C(=CC=C1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)NCC4=CC=CO4)/C#N)C 1 4.218 4 3 0 -23.1370539534596 1140587 CC1=CC(=CC=C1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)NCC4=CC=CO4)/C#N 1 3.732 4 3 0 -22.4823237468897 1140575 CNC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CC=CO3)/C#N 1 1.669 4 3 0 -24.653848499638 1140566 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2Cl 1 4.6 2 0 6.02521642393596 1140345 CCNC(=S)N(CC1=CC=CO1)CC2=CC3=C(C=CC(=C3)OCC)NC2=O 1 3.606 3 3 -15.5796011884956 1140123 COC1=CC=C(C=C1)NC(=O)COC2=CC=CC(=C2)N3C=NN=N3 1 1.32 5 3 0 -17.0428419710022 1140121 COC1=CC=CC(=C1)NC(=O)COC2=CC=CC(=C2)N3C=NN=N3 1 1.32 5 3 0 -17.4204796393974 1140116 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3CCCCC3 1 3.711 4 3 0 -16.7984538910613 1140084 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4 1 5.067 4 2 -12.4337006631418 1140059 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(N3C4=CC=C(C=C4)OC)SCC(=O)NC5=CC=CC=C5 1 5.578 5 4 0 -11.6480429635534 1140003 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)F 1 1.814 3 5 0 -19.2807874998123 1140002 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNS(=O)(=O)C3=CC=CC=C3 1 1.608 3 5 0 -21.4164727587623 1139988 CN1C(=NN=N1)SCC(=O)NNC(=O)C2=CC=C(C=C2)Br 1 0.865 6 2 0 -21.6694781289206 1139897 COC1=CC(=C(C=C1NC(=O)COC2=CC=C(C=C2)N3C=NN=N3)OC)Cl 1 1.968 5 4 0 -22.2929791784114 1139890 CCC(=O)NC1=NON=C1C2=NC3=CC=CC=C3N2CC4=CC=CC5=CC=CC=C54 1 4.527 5 2 0 -6.88335284730957 1139867 C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=CC=C(C=C3)Cl)C4=CSC=N4 1 3.661 4 1 -3.19185768964216 1139804 COC1=C(C=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C)OC 1 1.72 3 5 0 -12.782015795378 1139755 COC1=CC=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2 1 2.721 1 3 -9.81902092178921 1139748 COC1=CC=CC=C1N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.992 3 4 0 -17.4387494654999 1139720 CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=NC=C2)C3=CC=C(C=C3)C 1 2.834 3 4 0 -18.0170178905626 1139709 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CN=CC=C2)C3=CC=CC=C3C 1 2.981 3 3 -16.2772571928294 1139663 COC1=CC=C(C=C1)CN(C2=CC=C(C=C2)F)C(=O)CSC3=NN=C(O3)C4=CC(=C(C=C4)OC)OC 1 4.794 3 5 0 -12.8389956410683 1139662 CC1=CC(=CC=C1)N(CC(=O)N2CCN(CC2)C)S(=O)(=O)C3=CC=CC=C3 1 2.232 3 3 -11.3753273111004 1139659 COC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 1.999 2 6 0 -14.9945176210377 1139647 C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4 1 3.202 3 1 -12.5378483662729 1139630 CCOC1=CC=C(C=C1)N(CC(=O)N2CCC(CC2)CC3=CC=CC=C3)S(=O)(=O)C 1 3.202 2 4 -10.2343865206572 1139611 CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C(C)C 1 2.151 2 3 -10.8581538181471 1139588 C1=CC=C2C(=C1)N=NN2CC(=O)OCC(=O)C3=CC(=C(C=C3)Cl)Cl 1 3.932 3 3 -13.2944601625975 1139580 CC1=CC=CC=C1C2=NN=C(O2)SCC(=O)N(CC3=CC=C(C=C3)OC)C4=CC=C(C=C4)F 1 5.313 3 3 -10.5170452064524 1139549 CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2)OC)OC)NC(=O)C3=CC=CO3 1 3.248 2 5 0 -12.2499278483563 1139546 CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2OC)NC(=O)C3=CC=CO3 1 3.264 2 4 -11.1908300740877 1139481 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 5.076 3 1 -11.4173149221804 1139497 COC1=C(C=C(C=C1)CCN(C2=NC(=CS2)C3=CC=CC=C3)C(=O)COC4=CC=CC=C4)OC 1 5.471 2 4 -3.98024689912834 1139460 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)OC 1 6.064 5 2 0 -13.3141717958257 1139447 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl 1 5.701 3 2 -8.27657620762874 1139390 C1=CC=C(C=C1)CN(C2=NC(=CS2)C3=CC=CC=C3)C(=O)COC4=CC=CC=C4 1 5.183 2 2 -1.75657160480042 1139387 CC(=O)N(CC1=CC=CC=C1)C2=NC(=CS2)C3=CC=CC=C3 1 3.683 2 1 0.764054316922032 1139315 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)Cl)[N+](=O)[O-] 1 4.158 4 5 0 -13.0510545165883 1139262 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3)Cl 1 4.264 3 3 -10.5637508506543 1139154 COC1=CC(=C(C=C1NC(=O)C2CC2)OC)NC(=O)CCC(=O)NC3CCN(CC3)CC4=CC=CC=C4 1 1.913 4 5 0 -12.6090918692602 1139093 CC1=CC=C(C=C1)NC(=O)CCC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CS3)OC 1 3.142 3 5 0 -14.6270575728335 1139085 COC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OC)NC(=O)CCC(=O)NC3=CC4=C(C=C3)N=CC=C4 1 2.842 4 5 0 -13.8685934814413 1139039 COC1=CC=C(C=C1)N2C(=CN=C2SCC(=O)NCC3=CC=CO3)C4=CC=C(C=C4)F 1 4.407 3 3 -10.8791002619627 1139069 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3 1 2.579 4 5 0 -21.3925061988244 1139068 COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 4.541 3 4 0 -13.0080629894945 1138949 CN1C(=NN=C1SCC(=O)NNC(=O)C2CCCCC2)COC3=CC=CC=C3 1 2.599 5 3 0 -15.4527802504568 1138919 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2)OC 1 5.242 2 3 -12.2288375441876 1138906 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NC3=NN=C(S3)C4=CC=CO4 1 3.152 3 3 -4.33299642272161 1138870 CCOC1=CC(=C(C=C1NC(=O)CC(C)C)OCC)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 4.142 2 5 0 -11.6790168581261 1138869 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Cl)OC 1 3.313 3 3 -10.7462503925026 1138840 CCOC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)F)OCC)NC(=O)C3CC3 1 3.363 2 4 -8.37684947981968 1138785 CCOC1=CC(=C(C=C1NC(=O)C2=CC=CO2)OCC)NS(=O)(=O)C3=CC=CC=C3 1 3.162 2 6 0 -9.87341197666653 1138784 CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)C)OCC)NC(=O)C3=NC=CN=C3 1 2.677 4 4 0 -12.7062631881457 1138778 CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)C3=CC=CC=C3OC 1 4.047 2 5 0 -11.8477295237052 1138761 CCOC1=CC(=C(C=C1NC(=O)C2=CC=CO2)OCC)NS(=O)(=O)C3=CC=C(C=C3)OC 1 3.146 2 7 0 -9.22193137141468 1138736 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(O2)/C=C(/C#N)\C(=O)NCC3=CC=CC=C3 1 3.382 3 4 0 -18.2388414036428 1138680 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCOCC4 1 2.41 3 4 0 -19.0057148235536 1138595 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=CO4 1 3.892 2 5 0 -4.97938573047979 1138527 CC1=C(C(=CC=C1)C)OCC(=O)NN=CC2=CC=C(C=C2)OC(=O)/C=C/C3=CC=C(C=C3)OC 1 5.374 2 5 0 -11.3767689600705 1138540 CC1=C(C(=CC=C1)C)OCC(=O)NN=CC2=CC(=CC=C2)OC(=O)/C=C/C3=CC=C(C=C3)OC 1 5.374 2 5 0 -11.8356811863965 1138577 CC1=CC(=NN1)C(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)Br 1 4.63 4 3 0 -9.26370254195897 1138509 CC1=CC(=NN1)C(=O)NN=CC2=CC(=CC(=C2OC(=O)C3=CC(=CC=C3)OC)Br)Br 1 4.613 4 4 0 -6.31788339967398 1138502 CN(C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)C(=O)CC3=CC=CC=C3 1 3.766 2 3 -3.54585003497258 1138493 CC1=CC(=NN1)C(=O)NN=CC2=CC(=CC(=C2OC(=O)C3=CC(=CC=C3)F)Br)Br 1 4.835 4 3 0 -4.60359507561457 1138489 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)F 1 3.731 2 3 -2.32765901231253 1138482 CC1=CC(=CC(=C1OCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)C)[N+](=O)[O-] 1 4.801 3 7 0 -15.5041450956865 1138445 CCCN1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)NC(=O)C)N(C(=O)N(C2=O)C)C 1 1.612 6 4 0 -25.1101073980962 1138440 CCCN1C2=C(N=C1SCC(=O)C3=CC(=C(C=C3)OC)OC)N(C(=O)N(C2=O)C)C 1 3.079 4 5 0 -21.6323362805224 1138420 CCCN1C2=C(N=C1SCC(=O)N3CCCCC3)N(C(=O)N(C2=O)C)C 1 2.039 5 3 0 -23.3361482963994 1138269 CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCN(C)C)C(=S)NC3=CC=CC=C3)C 1 5.125 4 1 -9.9548761879223 1138260 CC1=CC=C(C=C1)NC(=S)N(CCN(C)C)CC2=CC3=C(C(=CC=C3)C)NC2=O 1 5.125 4 1 -11.9364092098509 1138259 CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCN(C)C)C(=S)NC3=CC=CC=C3 1 4.639 4 1 -12.0021609804152 1138152 C1CCC(CC1)NC(=O)N(CC2=CC3=CC4=C(C=C3NC2=O)OCCO4)C5CCCCC5 1 4.044 3 4 0 -10.6575487383941 1138146 C1CCC(CC1)NC(=O)N(CCO)CC2=CC3=CC4=C(C=C3NC2=O)OCCO4 1 1.646 3 5 0 -9.64638103570809 1138080 CC1=CC(=NN1)C(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3 1 3.881 4 3 0 -9.23303116725076 1138090 CC1=CC(=NN1)C(=O)NN=CC2=CC(=CC(=C2OC(=O)C3=CC=CC=C3)Br)Br 1 4.63 4 3 0 -5.29531298184288 1138091 CC1=CC(=CC(=C1OCC(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C)[N+](=O)[O-] 1 4.817 3 6 0 -13.1364748544235 1138141 CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCO)C(=O)NC3CCCCC3)C 1 2.833 3 3 -8.13462752819358 1138020 COC1=CC=CC=C1N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4 1 2.911 2 6 0 -19.7011806630912 1137897 CC1=CC(=C(C=C1)OC)N(CC(=O)N2CCCCCC2)S(=O)(=O)C 1 2.055 2 4 -13.9611610959075 1137895 CCOC1=CC=CC=C1N(CC(=O)N2CCCCCC2)S(=O)(=O)C 1 1.918 2 4 0 -17.3797710185591 1137883 CS(=O)(=O)N(CC(=O)NCC1=CC=CO1)C2=CC(=C(C=C2)Cl)C(F)(F)F 1 2.378 2 4 -17.8050541816976 1137854 CC(C)C1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C 1 1.582 3 6 0 -26.5972243167991 1137830 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC=CC=C3 1 1.819 2 4 0 -26.0120063031655 1137716 CN(C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.478 3 3 -8.48715887671728 1137690 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3=CC=C(C=C3)F 1 2.707 3 3 -18.1248364538785 1137537 CN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Br 1 2.613 4 2 -11.2909607425049 1137527 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NNC(=O)C3=CC=CC=C3F 1 3.287 3 3 -11.5839090518713 1137509 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)ON=C(C)C3=CC=NC=C3 1 3.185 3 3 -4.88065588456068 1137490 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(O4)Br 1 2.516 2 4 -3.80260475330978 1137488 C1CN(C2=CC=CC=C21)C(=O)C3=CC(=C(C=C3Cl)Cl)S(=O)(=O)N 1 2.929 2 3 -11.085750798993 1137478 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 1.811 4 5 0 -13.3724510903015 1137365 CN(CC1=CC=CC=C1)C(=O)CN(C2=CC=CC=C2Cl)S(=O)(=O)C 1 2.46 2 3 -15.271097334076 1137238 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CN=CC=C2)C3=C(C=CC(=C3)C)OC 1 2.965 3 4 0 -14.2873789890746 1137207 COC1=C(C=C(C=C1)N(CC(=O)NCC2=CC=CO2)S(=O)(=O)C)OC 1 0.739 2 6 0 -21.7339593216997 1137198 CCN1C(=NN=C1SCC(=O)O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.816 4 4 0 -24.3903143891637 1137174 COC1=CC(=C(C=C1)OC)N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C 1 1.72 3 5 0 -10.6773006321177 1137167 CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.521 2 3 -14.3436586103023 1137166 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.521 2 3 -14.9849172963251 1137125 COC1=CC=CC(=C1)N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C 1 0.416 3 4 0 -13.1127315554562 1137152 CC1=CC(=CC=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C 1 2.072 2 3 -12.8479112008975 1137097 COC1=CC(=C(C=C1)OC)N(CC(=O)NCC2=CC=CC=N2)S(=O)(=O)C 1 0.622 3 5 0 -19.6805110773447 1137045 CCNC(=S)N(CC1=CC2=CC(=C(C=C2NC1=O)C)C)C3CCCC3 1 4.883 3 1 -12.1385083294935 1137042 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CO2)C3=CC=CC=C3 1 2.332 2 5 0 -19.4798712774937 1137032 CCOC1=CC=C(C=C1)N(CC(=O)NC2CC2)S(=O)(=O)C3=CC=C(C=C3)C 1 2.891 2 4 -16.7627701432431 1136990 CC1=C(C=C(C=C1)N(CC(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3)C 1 3.203 3 3 -19.8964537329725 1136914 C1=CC=C2C(=C1)C3=NN=C(N3N=C2Cl)C(F)(F)F 1 2.984 4 0 -1.28569050081195 1136878 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 2.536 4 5 0 -16.8489447070031 1136868 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 0.95 5 3 0 -14.8087792139882 1136865 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(F)(F)F 1 1.525 4 3 0 -11.5614987143047 1136849 CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NC4=CC=CC=C4OC)C 1 5.735 3 3 -16.3578230974518 1136804 CCNC(=S)N(CC1=CC2=C(C=CC(=C2NC1=O)C)C)C3CCCC3 1 4.883 3 1 -13.2597043180995 1136683 COC1=CC(=C(C=C1)OC)C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)N4CCOCC4 1 2.578 5 4 0 -3.6848140967977 1136667 C1COCCN1C2=CC=C(C=C2)C3=NN(N=N3)CC(=O)N4CCOCC4 1 0.308 6 3 0 -6.81253971449342 1136633 CC1=CC(=C(C=C1)C)NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)N4CCOCC4 1 2.963 6 2 0 -4.51335061373574 1136576 CCOC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NCC3=CC=C(C=C3)C 1 2.967 5 2 0 -9.21444757357232 1136482 C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=CC=C(O3)Br 1 2.91 2 4 -6.03995370329151 1136477 CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=CC=CC(=C2)C(=O)OC)C 1 1.878 3 5 0 -19.0841163844325 1136475 CN1C=C(C(=N1)C(=O)OCC(=O)NC2=CC=CC=C2)Cl 1 2.064 3 3 -8.36029364277078 1136439 C1CC(=O)N(C1=O)C2=CC(=C(C=C2)NC(=O)C3=CC=CS3)Cl 1 2.392 2 3 -11.8370398254935 1136437 CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C 1 4.455 2 5 0 -11.8272477779709 1136376 CC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OCCO3 1 2.886 1 3 -10.2615621837573 1136384 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl 1 2.914 2 4 -6.76486550625991 1136420 CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O 1 3.788 3 3 -13.5723032652711 1136402 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(SC=C3)C(=O)OC 1 2.908 2 5 0 -4.71842423076108 1136397 COC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl 1 2.947 2 4 -4.28766535940183 1136314 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.681 2 2 -2.77808401970619 1136282 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CCC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)NC3CCCCC3 1 3.908 3 3 -21.0369967273518 1135108 C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C#N)F 1 3.426 2 1 0.94737046270873 1134995 COC1=C(C=C(C=C1)N=C2C(=CC3=C(O2)C(=CC=C3)OC)C(=O)NC4=CC=CC=N4)OC 1 3.821 3 5 0 -5.03521654430687 1134963 C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)NC4=CC=CC=C43)COC5=CC=CC=C5 1 4.786 4 2 -15.3417171720835 1134923 COC1=C(C=C(C=C1)N=C2C(=CC3=CC=CC=C3O2)C(=O)NC4=CC=CC=N4)OC 1 3.837 3 4 0 -5.12602762305026 1134913 COC1=CC=CC=C1OCC2=NN=C(O2)SCC(=O)N3CCCCC3 1 2.214 3 4 0 -22.5483131589036 1134912 COC1=CC=C(C=C1)/C=C(\C(=O)N2CCCCC2)/NC(=O)C3=CC=CO3 1 2.496 2 4 -17.4887557168839 1134909 COC1=CC=C(C=C1)/C=C(\C(=O)N2CCOCC2)/NC(=O)C3=CC=CO3 1 1.267 2 5 0 -19.0570521666595 1134893 COC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl 1 5.403 3 4 0 -8.40763450006246 1134879 COC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)N3CCCCC3 1 2.214 3 4 0 -19.1877970204843 1134874 COC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)C3=CC=CC=C3 1 3.287 2 4 -13.3685009546384 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CC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl 1 5.905 3 3 -7.84939171971876 1134668 C1CCN(CC1)C(=O)CSC2=NN=C(O2)COC3=CC=C(C=C3)Cl 1 2.895 3 3 -16.8075555495538 1134635 C1CC(=O)N2CCC3=CC=CC=C3C2=C1CCC(=O)O 1 1.809 1 3 0 -11.7609532760084 1134573 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3)OC 1 1.683 2 5 0 -15.3810857055172 1134334 CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NC4=CC=CC=C4OC)C 1 5.735 3 3 -15.9055087510264 1134195 CC1=NN=C(S1)NC(=O)CSC2=CC=CC=C2N 1 0.996 4 1 0 -15.9665193267024 1134151 C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)O 1 0.86 1 4 0 -10.0888684529059 1133975 C1=CC=C2C(=C1)C=CC=C2CC(=O)NN=CC3=CC=C(C=C3)OC(=O)/C=C/C4=CC=CO4 1 4.921 2 4 -8.46823660937075 1133638 CCOC(=O)CC1=CSC(=N1)NC2=CC=C(C=C2)Cl 1 3.072 2 2 -1.55744020812218 1133650 C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 3.667 5 4 0 -2.76897218897522 1133592 C1=CSC(=C1)C2=CC(=NC(=N2)S(=O)(=O)CCC(=O)O)C(F)(F)F 1 3.099 2 4 -9.57701286149712 1133587 CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC 1 1.533 1 5 0 -17.4996864871878 1133320 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 2.083 3 4 0 -11.8686539743225 1133285 CC1=CC2=CC3=C(NN=C3N=C2C=C1C)N 1 2.343 4 0 1.22607003453056 1133280 CCC1=CC2=CC3=C(NN=C3N=C2C=C1)N 1 2.313 4 0 1.71608415945741 1133184 CCC1=CC2=CC3=C(N=C2C=C1)SC(=C3)C(=O)O 1 3.94 1 2 1.72082648108836 1133203 CC1=CC(=CC=C1)NC2=NC(=CS2)CC(=O)O 1 2.319 2 2 1.48733927311903 1133173 COC1=CC2=C(C=C1)NC(=O)C(=C2)C(=O)O 1 0.826 1 4 0 -7.869325385293 1133167 C1=CC=C2C(=C1)NC(=N2)CCC3=NNC(=S)N3C4=CC(=CC=C4)Cl 1 4.334 5 0 -1.05806786359093 1133153 CC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NN=C(N2C)CNC3=CC=C(C=C3)F 1 2.653 6 2 0 -17.1753479859204 1133112 COC1=CC=C(C=C1)CC2=NNC(=S)O2 1 2.561 2 2 -4.91593606373365 1133053 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)CNC3=CC=C(C=C3)F 1 3.243 5 2 0 -19.1592367571431 1133052 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CNC3=CC=C(C=C3)F 1 3.243 5 2 0 -15.8781081187203 1133030 CC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NN=C(N2C)COC3=CC=C(C=C3)OC 1 2.606 5 4 0 -16.7581433404224 1133007 CC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)OC 1 2.575 4 4 0 -13.5331705951543 1133006 CCN1C(=O)C2=CC=CC=C2C(=N1)CCC(=O)O 1 1.233 2 3 0 -11.8750775643198 1132990 CC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NNC(=N2)C3=CN=CC=C3 1 1.806 6 2 0 -10.2207069575614 1132978 CC1=C(C(=O)N2C(=N1)N=CN2)CC(=O)O 1 -1.292 4 3 0 -9.70162420445206 1132956 CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC(=C2)N3C=NN=N3)[N+](=O)[O-] 1 1.717 6 4 0 -19.5093728801405 1132947 CCOC1=CC=C(C=C1)C2=CN=C(N2C)N 1 1.86 3 1 0 3.60554527539285 1132944 CN1C(=CN=C1N)C2=CC=C(C=C2)OC 1 1.511 3 1 0 4.37176842710087 1132927 CN1C(=CN=C1N)C2=CC=CC=C2 1 1.528 3 0 0 4.31021821992981 1132922 CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3)Br 1 3.298 5 1 -8.58313819939199 1132911 CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(O2)CN3C=NC4=CC=CC=C43 1 2.908 5 2 0 -17.1772491090242 1132909 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CN3C=NC4=CC=CC=C43 1 2.162 5 3 0 -22.6821829666252 1132906 COC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CN3C=NC4=CC=CC=C43 1 2.405 5 3 0 -22.6676281803962 1132903 COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CN3C=NC4=CC=CC=C43 1 2.405 5 3 0 -19.3804666449727 1132888 CCOC1=CC=C(C=C1)N(CC2=CC=C(C=C2)OC)C(=O)C3=CC=CO3 1 4.115 1 4 -5.14497978591314 1132873 CCOC1=CC=C(C=C1)N(CC2=CC(=C(C=C2)OC)OC)C(=O)C3=CC=CO3 1 4.098 1 5 -8.83491473125591 1132849 C1CCN(CC1)C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)N 1 0.941 6 1 0 -5.30920939627705 1132845 CCN1N=C(N=N1)C2=CC=C(C=C2)N 1 1.107 5 0 0 3.06722623311185 1132801 CC1=C(N=C(S1)N)C(=O)OC 1 0.509 2 2 0 -1.90984799650151 1132799 CCOC1=CC=CC=C1N2C(=NN=N2)SCC(=O)O 1 1.614 4 3 0 -22.3892214528939 1132767 CCC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CN3C=NC4=CC=CC=C43 1 3.364 5 2 0 -21.2562151063648 1132761 CC1=CC(=CC=C1)NCC2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)OC 1 3.344 5 2 0 -7.09219849998057 1132753 CC1=CC(=CC=C1)NCC2=NC(=NN2)SCC(=O)NC3=CC=CC=C3 1 3.36 5 1 -7.14753389751888 1132747 CC1=CC=C(C=C1)NCC2=NC(=NN2)SCC(=O)NC3=CC=CC=C3 1 3.36 5 1 -9.5625183572583 1132739 C1=CC=C(C=C1)CC2=NC(=NN2)SCC(=O)NC3=CC=CC=C3Br 1 3.997 4 1 -11.2067834237749 1132717 CC1=C(C=CC(=C1)N)NC(=O)CN2CCOCC2 1 0.383 3 2 0 -9.3336543579848 1132695 COC1=C(C=C(C=C1)N)NC(=O)CN2CCCC2 1 0.654 3 2 0 -5.87267851328025 1132661 COC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3Cl 1 3.332 3 4 0 -17.8466080310199 1132657 C1CN(CCC1C(=O)O)C(=O)C2=CC=CO2 1 0.741 1 4 0 -6.60715267687029 1132644 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3CCCCC3 1 1.838 6 2 0 -30.6720539050937 1132637 COC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)Cl 1 3.332 3 4 0 -15.0984030457406 1132633 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)COC3=CC=C(C=C3)OC 1 3.154 3 4 0 -17.847272302446 1132616 C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)OC3=CC=C(C=C3)Br 1 4.244 2 3 -9.38027800005706 1132611 C1=CC=C(C=C1)C2=CNC(=S)N2 1 1.627 2 0 0 -2.12215918191838 1132609 CC1=NC2=C(N1)C=C(C=C2)C(=O)O 1 1.236 2 2 0 -4.21137705002787 1132561 C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)O)C3=CC=CC=C3 1 4.834 2 2 -11.6352208888121 1132552 COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCC4=CC=CC=C43)N)C#N)OC 1 4.384 3 2 -3.32965157161388 1132549 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3C4=CC=CC=C4 1 4.015 3 1 2.19922005492328 1132525 COC1=C(C=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC4=CC=CC=C4O3 1 3.931 2 4 -8.27181753718962 1132524 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl 1 3.322 3 2 -4.13364384299889 1132520 COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC3=CC=CC=C3O2)C(=O)OC 1 2.92 1 6 0 -4.17746269351637 1132519 CC(C)C(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2)OC 1 3.443 2 4 -12.8184702030623 1132518 CCCC(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2)OC 1 3.436 2 4 -13.3717087407528 1132517 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C 1 2.479 3 2 -5.40890825159383 1132516 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C 1 2.479 3 2 -8.04390573323097 1132513 CC1=C(C2=NSN=C2C=C1)NC(=O)CCl 1 2.097 3 1 -5.30794156326469 1132512 C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CO4)Cl)Cl 1 5.276 2 3 -0.430111910131768 1132508 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl 1 5.414 3 2 5.82114064561737 1132506 C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=CC(=C3)C4=NC5=C(O4)C=CC=N5)Cl 1 4.928 3 2 8.8982956401568 1132498 CC1=C(C2=NSN=C2C=C1)NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 5.046 3 1 1.91615588481144 1132487 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)C4CCCCC4 1 5.149 6 1 0 -15.7628177746373 1132423 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NC(=O)C=C(N3)N 1 2.389 4 2 -10.3116640872013 1132326 CC(=O)OCCN1C(=O)C2=CC3=C(C=C2C1=O)C(=O)N(C3=O)CCOC(=O)C 1 -0.426 2 8 0 -8.26416005029036 1132322 CCC(=O)NC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)CC 1 5.139 4 2 1.84037695254363 1132317 CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C#N 1 3.718 6 1 0 -20.7603366952938 1132243 C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 3.712 3 2 1.319864573971 1132240 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3OC)C)C 1 3.274 3 3 -21.8842225053587 1132236 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)C(=O)NC3=CC=CC=C3)C 1 3.159 3 3 -7.91562065503569 1132234 CCOC(=O)C1=C(N=C(S1)NS(=O)(=O)C2=C(C=CC(=C2)C)C)C 1 3.065 2 4 -9.82417696298377 1132233 CCOC(=O)C1=C(N=C(S1)NS(=O)(=O)C2=CC=CC=C2Cl)C 1 2.757 2 4 -11.0283556141718 1132169 C1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NCC4=CC=CS4 1 4.8 3 2 -16.3125192222017 1132167 C1=CC=C2C(=C1)C(=CN2CCOC3=CC=CC=C3F)/C=C(\C#N)/C(=O)NCC4=CC=CS4 1 5.005 3 2 -15.8173041351881 1132164 CC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NCC4=CC=CO4 1 4.728 3 3 -14.7911017591724 1132108 CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)SCC(=O)C3=CC=CC=C3 1 4.989 2 2 -6.69978025397634 1132054 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3OC 1 3.205 3 3 -21.3769699228765 1132047 CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC3=NN=C(O3)C4=CC=CC=C4[N+](=O)[O-] 1 4.432 5 3 0 -11.9103406908508 1132009 C1CC2=C(C1)N=C3C=CC(=CC3=C2C(=O)O)Cl 1 3.374 1 2 2.08815938244909 1131991 CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C 1 2.844 6 1 0 -20.5081593979717 1131983 C1CC2=CC=CC=C2C(=NNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C1 1 4.004 3 3 -6.92198870106884 1131980 CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)NC(=O)OC 1 3.736 3 3 -3.41035886015767 1131934 C1CCN(CC1)CC2=C(C=CC(=C2)NC3=NS(=O)(=O)C4=CC=CC=C43)O 1 2.945 3 3 2.52388188288188 1131927 COC1=C(C=CC(=C1)NC(=O)COC2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4OC3=O 1 4.646 1 5 -4.06237398332893 1131926 COC1=C(C=CC(=C1)NC(=O)C2=CN=CC=C2)C3=CC4=CC=CC=C4OC3=O 1 2.996 2 4 -7.71493209970074 1131925 CC(=O)NC1=CC(=C(C=C1)C2=CC3=CC=CC=C3OC2=O)OC 1 2.482 1 4 -5.35230566841653 1131920 CN1C=CN=C1SC2=NC(=NC(=N2)NC3=CC(=CC=C3)Cl)N4CCOCC4 1 3.069 7 1 0 1.88647050617237 1131801 COC1=CC(=CC(=C1OC)OC)C2=NC(=C(N2)C3=CC=CS3)C4=CC=CC=C4 1 5.303 2 3 0.106819130974233 1131800 COC1=C(C=C(C=C1)C2=NC(=C(N2)C3=CC=CS3)C4=CC=CC=C4)OC 1 5.319 2 2 0.808973942690151 1131788 C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NN=CC3=C(C=C(C=C3)Cl)Cl 1 3.593 3 2 -12.7187101244043 1131786 CCOC1=CC=CC=C1CN(CCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4 1 4.556 2 3 2.85487556904441 1131760 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC 1 2.455 2 4 -11.6082077163711 1131749 C1CN(CCC1N2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CC=C4 1 2.849 3 1 -3.39448777758765 1131737 C1CN(CCC1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4 1 2.598 3 2 -9.50309156384329 1131733 C1CN(CCN1CC2=CC=CC=N2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.378 3 1 -8.66926649749644 1131725 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4 1 2.582 3 3 -8.72701667170303 1131718 COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3)Br 1 3.47 2 2 -6.75629809301216 1131710 COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3)OC)OC 1 2.689 2 4 -8.25958035082776 1131697 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C(=CC=C3)OC)OC 1 2.438 2 5 0 -13.3228804226985 1131681 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC 1 2.438 2 5 0 -15.642612102932 1131674 CCC(CC)N1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.925 2 4 -9.53423609390142 1131630 CC1=CC=C(C=C1)N2C3=C(C(C4=C2CC(CC4=O)(C)C)C5=CN(N=C5C)C)C(=O)CC(C3)(C)C 1 4.89 3 2 -13.6022834646724 1131627 C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=O)NC3=CC=C(C=C3)Cl 1 3.16 3 3 -12.5763581118863 1131622 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=CC=C2OC)C(=O)N3CCOCC3 1 2.119 2 6 0 -22.2429053971489 1131573 CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)C)C(=O)N2CCOCC2 1 1.601 2 5 0 -23.9773587291795 1131572 CC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2OC)C(=O)N3CCOCC3 1 2.142 3 4 0 -21.2480384484285 1131571 CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=CS2)C(=O)NC3CCCCC3 1 4.088 2 4 -22.311597288589 1131564 CCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC=C2OC)C)C(=O)OC 1 2.805 2 5 0 -19.1661081674641 1131505 CC1=C(SC(=C1C#N)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCOCC3 1 2.11 3 6 0 -23.4499409414466 1131467 CCOC1=CC=C(C=C1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N 1 3.234 3 4 0 -16.017367755898 1131451 CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)/C=C(/C#N)\C(=O)NC3=CC=C(C=C3)OC 1 4.226 2 5 0 -12.9921447609264 1131449 CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)/C=C(/C#N)\C(=O)NC3=CC=C(C=C3)OC 1 4.226 2 5 0 -12.9489212558618 1131428 CC1=CC=C(C=C1)/C=C\2/C(=C(C3=C2C(=C(C(=N3)N)C#N)C)C#N)C 1 4.139 4 0 -1.54611501179252 1131420 COC1=C(C=CC(=C1)/C=C(/C#N)\C2=CC=CC=C2)OC3=NC=C(C=C3)[N+](=O)[O-] 1 4.481 3 4 0 -12.4027439221506 1131306 COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NCC3=CC=NC=C3 1 2.006 3 4 0 -19.9228265847337 1131190 COC1=CC=CC=C1NC(=O)C2=CC3=NSN=C3C=C2 1 2.726 3 2 -4.71239112672112 1131191 C1=CC=C(C(=C1)NC(=O)C2=CC3=NSN=C3C=C2)Cl 1 3.407 3 1 -1.1800121077397 1131192 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=NSN=C3C=C2 1 2.598 3 3 -3.90695094131695 1131197 CNC(=O)C1=CC=C(C=C1)OC2CSC2 1 1.482 1 2 0 -8.09101416483268 1131221 CC(=O)NC1=CC=C(C=C1)N2CC3=CC=CC=C3C2 1 2.449 2 1 -4.01741237579446 1131211 CC1=CC=C(C=C1)CNC(=O)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.74 2 3 -14.200776769037 1131209 CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.74 2 3 -14.200776769037 1131114 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C#N)C 1 2.937 3 4 0 -21.9987158760412 1131096 CC1=C(SC(=C1C(=O)OC)NC(=O)CCl)C(=O)N2CCOCC2 1 1.004 2 5 0 -21.577369425259 1131085 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=C(C=C2)OC)C#N)C 1 3.187 3 3 -21.0177224143295 1131081 CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)Cl)C(=O)N3CCCC3 1 3.597 3 2 -15.0860536837964 1131000 CC1=C(SC(=C1C(=O)OC)NC(=O)C)C(=O)NC2=CC=CC=C2F 1 2.36 2 4 -16.038300906726 1130986 CC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2OC)C(=O)N3CCCC3 1 2.916 3 3 -19.3252734844848 1130980 CC1=C(SC(=C1C#N)NC(=O)CC2=CC=CC=C2)C(=O)N3CCOCC3 1 2.194 3 3 -21.1998259843734 1130976 CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)Cl)C(=O)N3CCCC3 1 3.597 3 2 -15.7369684373543 1130974 CCOC1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C)C(=O)OC)C 1 2.487 2 5 0 -15.9819059667069 1130973 CC1=C(C(=CC=C1)NC(=O)C2=C(C(=C(S2)NC(=O)COC3=CC=CC=C3C)C#N)C)C 1 5.136 3 3 -15.5383477471448 1130935 CC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2F)C(=O)N3CCOCC3 1 2.364 3 3 -20.9195774838811 1130926 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C#N)C 1 3.063 4 4 0 -23.131742393911 1130887 CC1=CC=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)N3CCCC3)C)C#N 1 3.418 3 2 -17.5694128480169 1130885 CCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC=C2F)C)C(=O)OC 1 3.027 2 4 -17.0580174158319 1130849 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=CC=C2F)C(=O)N3CCOCC3 1 2.341 2 5 0 -22.0832172815109 1130825 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=CC=C2)C#N)C 1 3.204 3 2 -21.4195711099649 1130805 CC1=C(C(=CC=C1)NC(=O)C2=C(C(=C(S2)NC(=O)COC3=CC=CC=C3)C#N)C)C 1 4.65 3 3 -15.7062447600106 1130797 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)NCC3=CC=CC=C3 1 3.225 2 5 0 -13.9650293592132 1130770 CC1=NC2=C(C=CC=C2OC)C(=C1)SCC(=O)NN=CC3=C(C=CC(=C3)OC)OC 1 3.496 3 4 0 -7.40888649004667 1130768 CC1=NC2=C(C=CC=C2OC)C(=C1)SCC(=O)NN=CC3=CC=CC=C3 1 3.529 3 2 -7.56331177339148 1130763 CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)NN=CC3=CC=CC4=CC=CC=C43 1 4.437 3 2 -3.23599868920059 1130760 CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)NN=CC3=CC=CO3 1 2.924 3 3 -6.08796175860942 1130758 CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)NN=CC3=C(C=CC4=CC=CC=C43)OC 1 4.421 3 3 -2.22864348772622 1130752 CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)NN=CC3=CC=CC=C3 1 3.529 3 2 -5.91507090032734 1130727 CC1=NC2=CC=CC=C2C(=C1)SCC(=O)NN=CC3=CC=CC=C3OC 1 3.529 3 2 -6.38976444366087 1130721 CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NN=CC3=CN=CC=C3 1 3.624 4 1 -5.97986090071938 1130711 CC1=CC2=C(C=C1)N=C(C=C2C)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 4.404 3 3 -6.28138784249755 1130703 CC1=CC(=NC2=CC=CC=C12)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 3.918 3 3 -6.7463302616742 1130557 COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CC4=CC=CC=C4 1 4.294 2 2 -6.28377248266987 1130551 CCOC(=O)CSC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4CCCCC4 1 4.163 3 3 -30.1495971811531 1130543 CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)OC 1 5.268 2 3 -17.2471773312865 1130518 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=CO3)C4=NC5=CC=CC=C5N4C 1 4.335 2 5 0 -4.7186189212606 1130512 CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)CN5CCOCC5)O 1 3.456 3 4 0 1.8955011347288 1130377 CC1(CC(=C(C(=O)C1)C(C2=CC(=C(C=C2)O)[N+](=O)[O-])C3=C(CC(CC3=O)(C)C)O)O)C 1 3.154 1 7 0 -3.92683344224593 1130373 C1=CC(=CC=C1CC(=O)NN=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)F 1 4.422 2 4 -2.63689006869651 1130352 COC1=C(C=CC(=C1)C=O)OC2=NC(=NC(=N2)NC3=C(C=C(C=C3)F)F)N4CCOCC4 1 3.365 5 4 0 -6.83464813248714 1130279 CC1=CC=CC=C1OCC2=NN=C(O2)SCC(=O)NC3CCCCC3 1 3.452 3 3 -20.7558549574749 1130278 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)COC3=CC=CC=C3C 1 3.656 3 3 -17.4356224823383 1130275 CC1=CC=CC=C1OCC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3OC 1 3.154 3 4 0 -20.5349422312269 1130232 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)CNC4=CC=C(C=C4)F 1 3.29 5 2 0 -17.671758263214 1130230 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)CNC3=CC=C(C=C3)F 1 3.818 4 2 -14.5941017730111 1130201 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)C4=CC=C(C=C4)Cl 1 4.266 5 2 0 -9.52484028875728 1130192 C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NNC(=O)CC4=CC=CC=C4 1 3.947 5 2 0 -17.6662266494926 1130140 CCCN1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3 1 4.53 4 1 -20.6891780212313 1130135 CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=S)NCC(=C)C 1 4.105 2 3 -27.1144210056826 1130129 CCOC(=O)C1=CC2=C(CCCC2)N=C1NC(=S)NC3=CC=CC=C3 1 5.007 3 2 -12.1108562884079 1130125 C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC=C3)C(=O)O 1 4.565 2 3 -16.1866832964715 1130106 CN1C2=CC=CC=C2N=C1SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 5.342 3 1 -3.76925016212011 1130105 C1CCC(CC1)N2C(=NN=N2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 4.789 5 1 -22.1156246630775 1130104 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=C(C=C(C=C3)Br)F 1 3.354 1 3 -6.19453371635528 1130099 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)C 1 2.318 5 3 0 -9.60854708289606 1130098 COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 2.118 3 4 0 -11.0714619847237 1130092 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.762 4 5 0 -16.7556083101634 1130083 C1=CC(=CC=C1CCNC(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)N 1 2.22 3 3 -9.48033916977786 1130082 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 1.372 2 4 0 -20.9696880550822 1130029 C1COCCN1C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 1.757 2 4 0 -13.7244551575911 1130012 CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C 1 2.48 2 4 -2.77221069409959 1129999 COC1=CC(=C(C=C1)OC)N(CC(=O)O)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 1.939 1 8 0 -18.1842667692513 1129998 COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)OC 1 2.07 1 6 0 -10.6034301443611 1129997 CC1=CC(=CC(=C1)N(CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3)C 1 3.321 2 4 -19.762354664941 1129992 C1COCCN1C(=S)OC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)Br 1 4.443 2 3 -10.9694071487592 1129991 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OC(=S)N3CCOCC3 1 4.027 2 4 -12.5335274698149 1129990 COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OC(=S)N3CCOCC3 1 3.679 2 4 -11.7673043181069 1129989 CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)OC(=S)N3CCOCC3 1 4.181 2 3 -10.0107055793165 1129981 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC(=O)N 1 1.17 2 5 0 -14.8125532528766 1129977 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC(=O)O 1 1.797 1 6 0 -17.773633203039 1129974 CC1=CC(=CC=C1)OC(=O)C2=CC3=NC=CN=C3C=C2 1 3.212 2 2 -4.26961428128969 1129967 CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3=CC=C(C=C3)C 1 2.834 3 4 0 -20.0159028401959 1129966 C1CN(CCN1C2=CC=CC=N2)C(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35 1 3.767 3 2 -8.75424921277701 1129959 C1COCCN1C(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.208 2 4 -17.5318611412336 1129952 COC1=CC=C(C=C1)CNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.044 3 6 0 -21.5894195960515 1129936 CCN(CC)CCNC1=NC2=NON=C2N=C1NCCN(CC)CC 1 0.913 8 1 0 -14.297189990088 1129900 CCN(CC)CCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OCC 1 4.398 3 3 -8.59385081443823 1129894 CCN(CC)CCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OC(C)C 1 4.775 3 3 -9.5236732797374 1129889 CCCC(CCC)C(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C)C=C1 1 5.371 4 2 -10.6418479609577 1129881 CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)N(C)C)C=C1 1 3.647 3 3 -8.47676449384446 1129879 CCN(CC)C(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OCC 1 4.345 3 3 -9.53843946147383 1129876 C1=CC=C(C=C1)C(=O)NNC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.292 7 4 0 -7.9987927745785 1129760 CC(C)NC(=O)CN1C2=C(CCC2)C(=N1)C(F)(F)F 1 2.563 3 1 -14.9454082274138 1129752 C1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)NCC3=CC=C(C=C3)Cl 1 4.085 3 1 -11.1240728559136 1129747 COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(F)(F)F 1 3.656 4 2 -5.92809860013007 1129742 C1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)NC3=CC=CC=C3C(F)(F)F 1 4.356 3 1 -8.76575004895026 1129740 CN(CC1=CC=CC=C1)C(=O)CN2C3=C(CCC3)C(=N2)C(F)(F)F 1 3.626 3 1 -11.505925039844 1129728 C1CCC2=C(C1)C(=NN2CC(=O)NC3=C(C4=C(S3)CCC4)C#N)C(F)(F)F 1 4.462 4 1 -20.2534004248252 1129725 CCC1=C(SC(=C1C#N)NC(=O)CN2C3=C(CCCC3)C(=N2)C(F)(F)F)C 1 4.623 4 1 -15.5885418364767 1129724 COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C3=C(CCCC3)C(=N2)C(F)(F)F 1 3.821 3 4 0 -11.9624153506642 1129715 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C4=C(CCCC4)C(=N3)C(F)(F)F 1 2.963 5 2 0 -18.1597044597182 1129709 COC1=C(C=C(C=C1)NC(=O)CN2C3=C(CCCC3)C(=N2)C(F)(F)F)OC 1 3.837 3 3 -12.1960739824235 1129664 C1=CC(=CC=C1NS(=O)(=O)C2=CC=C(C=C2)Br)S(=O)(=O)N 1 1.771 2 4 0 -3.63007008116829 1129655 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)C(=O)NC3=C(C=CC(=C3)C)OC 1 4.339 2 4 -8.58388513944511 1129619 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3 1 3.78 3 4 0 -8.31490235609685 1129616 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Br 1 1.887 2 5 0 -16.6757156161403 1129614 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 1.123 2 6 0 -21.741278725686 1129613 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br 1 1.904 2 4 0 -17.0237696737362 1129610 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)OC 1 2.455 2 4 -15.7964426537798 1129601 COC1=C(C=C(C=C1)CC(=O)NNS(=O)(=O)C2=CC=CC=C2)OC 1 1.576 2 5 0 -13.7727738553141 1129595 COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)Cl)OC 1 3.277 1 4 -5.83065620436774 1129586 COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC 1 2.507 2 6 0 -13.5863927557449 1129584 COC1=CC=C(C=C1)CC(=O)NNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.487 3 6 0 -13.6805671980263 1129583 C1=CC=C2C=C(C(=CC2=C1)C(=O)NNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O 1 2.135 3 6 0 -8.9360723359261 1129578 C1=CC=C(C(=C1)C(=O)NNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])Cl 1 2.133 3 5 0 -14.7237092922341 1129577 COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC 1 2.507 2 6 0 -9.74705268231179 1129575 C1=CC(=CC=C1CC(=O)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl 1 2.168 3 5 0 -8.75936038421101 1129552 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CO2)C3=CC(=C(C=C3)OC)OC 1 2.802 2 6 0 -22.0250079410104 1129550 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CC=C2C)C3=CC(=C(C=C3)OC)OC 1 4.106 2 5 0 -21.2115945913906 1129529 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=CC=C3F 1 3.854 2 3 -15.5015833958659 1129527 CS(=O)(=O)N(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3Br 1 2.501 3 3 -11.0828366740095 1129513 CS(=O)(=O)N(CC(=O)N1CCC2=CC=CC=C2C1)C3=CC=CC=C3Br 1 2.619 2 3 -17.9123041871536 1129509 CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CC=CC=C3Cl 1 1.052 3 6 0 -29.0378480662654 1129501 CC1=CC=CC=C1CNC(=O)CN(C2=CC=CC=C2Cl)S(=O)(=O)C 1 2.74 2 3 -19.5001292400397 1129500 CS(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC=CC=C2)C3=CC=CC=C3Cl 1 2.506 3 3 -11.3741891245697 1129498 CCOC1=CC=CC=C1N(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.348 3 4 0 -21.8698628245094 1129493 CCOC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3 1 3.697 2 4 -18.9505168586452 1129477 CC1=C(C=C(C=C1)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C)F 1 4.722 2 2 -10.8552996632862 1129465 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC(=O)C3=CC=C(C=C3)F 1 1.693 4 3 0 -12.8286039062528 1129344 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NC(=CC(=O)N4)O 1 3.601 3 3 -10.3313956087989 1129331 COC1=CC=C(C=C1)OCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42 1 4.816 1 3 -3.91069368722182 1129292 CN1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.722 2 2 0 3.38608614579304 1129284 CN1C(=O)C2=C(N=C1SCCN3CCOCC3)SC4=C2CCCC4 1 3.232 3 2 -20.9636558909905 1129189 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.808 2 6 0 -8.04499207818549 1129060 C1COCCN1C2=NC(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4Cl)/S2 1 3.965 2 3 -1.49973830826302 1129059 C1COCCN1C2=NC(=O)/C(=C\C3=CC=C(O3)C4=CC=CC=C4Cl)/S2 1 3.965 2 3 -1.49973830826302 1129056 C1COCCN1C2=NC(=O)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)F)/S2 1 3.506 2 3 -2.28870842345213 1129042 CC1=CC(=NN1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br 1 3.881 4 3 0 -10.998311353842 1129036 C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)COC3=CC=C(C=C3)Br 1 4.022 2 2 -4.81989250413971 1129027 COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)Br 1 3.132 1 4 -9.450596115914 1128984 CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)C(=O)C)Cl)C3=CC=CC=C3 1 3.322 3 2 -8.76799925773401 1128971 C1COCCN1C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N 1 3.481 3 2 -12.5775846268181 1128969 CC(=O)NC1=C(N=C(NC1=O)SCC2=CC=CC=C2C#N)O 1 1.18 4 3 0 -17.0646022355186 1128830 COC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)/C#N 1 4.404 2 5 0 -12.4027738440203 1128828 CC1=CC=CC=C1NC(=O)/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)/C#N 1 4.907 2 4 -14.3278443360152 1128821 CC1=CC=C(O1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=C(C=C(C=C3)OC)OC 1 3.053 2 5 0 -1.94711471969184 1128818 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN(C3=CC=CC=C3OC)S(=O)(=O)C4=CC=CC=C4 1 2.236 4 5 0 -28.3313917862052 1128813 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)OC(=O)C3=CC=CC=C3Cl 1 3.612 3 4 0 -11.2037730630061 1128812 CC1=C(C(=C(C=C1)C)OCC(=O)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl)C 1 4.945 4 2 -3.08780312679086 1128802 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=NNC(=C2)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.36 5 6 0 -18.2550890085266 1128794 C1COCCN1C2=CC=C(C=C2)N=CC3=CC=C(O3)C4=CC(=CC=C4)Cl 1 5.145 2 2 12.7510686651652 1128766 CC1=C(C=C(C(=C1)C2=CC=C(O2)C=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)[N+](=O)[O-])C 1 4.591 4 4 0 -6.75885266470339 1128758 CC1=CC(=NN1)C(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.084 4 6 0 -17.1272844345343 1128709 C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Br)[N+](=O)[O-] 1 5.444 3 3 6.72090457593502 1128708 C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-] 1 5.36 3 3 8.17756432103646 1128695 C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 5.009 3 5 0 -2.56108730802568 1128694 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-] 1 5.495 3 5 0 -4.21692445952568 1128687 CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4)[N+](=O)[O-])C 1 5.481 3 4 0 2.99305468584212 1128681 CC(=NNC(=O)C1=NNC(=C1)C2=CC=C(S2)Br)C3=CC=NC=C3 1 2.716 5 1 -5.62831160593696 1128679 CC(=NNC(=O)C1=NNC(=C1)C2=CC=C(S2)Br)C3=CC=CO3 1 3.262 4 2 -2.51186688633691 1128678 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=NNC(=C3)C4=CC=C(S4)Br 1 4.541 6 1 0 -2.60677706367419 1128667 C1=CC=NC(=C1)C=NNC(=O)C2=NNC(=C2)C3=CC=C(S3)Br 1 3.165 5 1 -0.962393290318702 1128628 C1=CN=CC=C1C=NNC(=O)C2=NNC(=C2)C3=CC=C(S3)Br 1 2.736 5 1 -2.58728181165705 1128614 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=NNC(=C3)C4=CC=C(S4)Cl 1 4.432 6 1 0 -0.340129311639064 1128438 CN1C=CC=C1C2=NNC(=C2)C(=O)NN=CC3=CC(=C(C=C3)OC)OC 1 2.923 5 3 0 -12.726918502828 1128434 CN1C=CC=C1C2=NNC(=C2)C(=O)NN=CC3=CC(=C(C=C3OC)OC)OC 1 2.907 5 4 0 -12.1766957558908 1128433 CN1C=CC=C1C2=NNC(=C2)C(=O)NN=CC3=CC(=C(C(=C3)OC)OC)OC 1 2.907 5 4 0 -12.1170481284733 1128407 CC1=CC=C(C=C1)OC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)OC 1 3.966 2 4 -9.82934330957095 1128375 COC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NC3=CC=CC=C3C(=O)OC 1 1.98 5 4 0 -8.99788335249998 1128183 C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)CSC4=CC=CC=N4 1 3.93 3 1 -8.2107490310931 1128182 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=CC=CC=N3 1 1.489 4 2 0 -21.2838427585598 1128166 C1C(CC(=O)C(=CNC2=CC=CC=C2C3=CC=CC=C3)C1=O)C4=CC=CO4 1 3.552 1 3 -8.61644619384615 1128149 CCCC(=O)O[C@@H]1C[C@H](N(C2=C1C=C(C=C2)C)C(=O)C3=CC=CC=C3)C 1 4.491 1 3 -12.7280654584061 1128148 CCCC(=O)O[C@H]1C[C@H](N(C2=C1C=C(C=C2)C)C(=O)C3=CC=CC=C3)C 1 4.491 1 3 -12.7280654584061 1128090 COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C4C=CC=NC4=C3O)[N+](=O)[O-] 1 3.355 4 4 0 1.56627602370666 1128083 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CO2 1 2.665 2 4 -19.1017620896798 1128080 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 3.251 2 5 0 -18.6435293523624 1128068 COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 3.316 3 4 0 -7.80934503987614 1127442 COC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3 1 3.134 2 5 0 -20.1496641156277 1127419 CNC1=NC(=NC(=N1)OC)N(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N 1 0.669 7 4 0 -7.12213535623797 1127418 CC(C)(C)NC1=NC(=NC(=N1)Cl)N(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N 1 1.951 7 3 0 -6.50773224427865 1127410 C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=CN45)C6=CC=CC=C6 1 3.987 4 1 -8.60559254760419 1127291 CC(=O)N(C(=O)C)S(=O)(=O)C1=CC=C(C=C1)N=NN2CCCCC2 1 1.816 4 4 0 -2.63687019619509 1127287 CC(=O)N(C(=O)C)S(=O)(=O)C1=CC=C(C=C1)N=NN2CCOCC2 1 0.586 4 5 0 -3.88204078770741 1127274 C1COCCN1N=NC2=CC=C(C=C2)S(=O)(=O)NC(=O)CC3=CC=CC=C3 1 2.295 4 4 0 -7.16299891805793 1127269 CCN(CC)N=NC1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.491 6 3 0 -11.7575139976857 1127268 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)N=NN(C)C 1 1.794 6 3 0 -10.646766663741 1127266 CCN(CC)N=NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C 1 2.706 6 2 0 -4.54913139008352 1127249 C1COCCN1C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3 1 4.535 1 3 -8.80185820872477 1127242 C1COCCN1C(=S)C2=CC=CC=C2OC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.681 2 5 0 -13.6668119515366 1127239 C1COCCN1C(=S)C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.681 2 5 0 -14.411565236583 1127237 C1COCCN1C(=S)C2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.681 2 5 0 -16.6549116278125 1127235 COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=S)N3CCOCC3)OC 1 3.754 1 5 -13.6301685745546 1127231 COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.665 2 6 0 -15.4803730016772 1127229 COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.665 2 6 0 -17.9270939845826 1127228 COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC(=O)C3=CC=CC=C3 1 3.77 1 4 -14.3640136010869 1127226 CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC=C(C=C3)C 1 4.605 1 4 -14.8779311533428 1127223 CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=CC=C3)C 1 4.605 1 4 -15.8109338729129 1127213 CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC=CC=C3 1 4.119 1 4 -15.8559695401098 1127210 CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C(=S)N3CCOCC3)OC 1 4.257 1 4 -14.9178186008658 1127203 CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCOCC3)OC 1 4.24 1 5 -11.6923861403342 1127201 CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCOCC3)OC 1 4.24 1 5 -12.4429980406466 1127189 COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=S)N3CCOCC3 1 3.77 1 4 -10.9425496002486 1127161 COC(=O)CCC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)Cl 1 2.47 2 4 -14.9249832860744 1127148 CCOC(=O)C1=C(SC2=C1CCC(=C2Cl)C=O)NC(=O)CN3CCCCC3 1 3.205 2 4 -12.9437745889377 1127131 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC3=CC=CC4=C3N=CC=C4 1 4.659 2 3 -8.79541956514071 1127070 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)O)Br 1 3.155 2 4 -14.1360890301354 1127099 CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3CCCCC3 1 3.587 3 3 -13.4946246441222 1126521 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O 1 3.278 1 6 0 -8.66610051344771 1126462 COC1=CC=C(C=C1)C2=NC(=C(O2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4 1 3.252 2 5 0 -8.69304772999527 1126295 C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CNC4=CC=CC=C43 1 3.632 4 2 3.19502300434083 1126112 COC(=O)C1=CC(=CC(=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)OC 1 2.561 1 7 0 -10.6693707446225 1126114 CCOC(=O)CON1C(=O)C(N(C(=O)C1(C)C)OCC(=O)OCC)(C)C 1 -7.4e-002 2 8 0 -10.1422987150271 1123959 CC1=CC=C(C=C1)NCC2=NN=C(N2C)SCC(=O)NNC(=O)CC3=CC=CC=C3 1 2.483 6 2 0 -17.2414549810455 1123950 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC3=CC=C(C=C3)C 1 3.395 5 3 0 -19.3266133007304 1123865 C1CN(CCC1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 2.752 2 6 0 -17.8376253086005 1123807 COC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 3.094 2 7 0 -20.5548254570025 1123805 COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)O)OC 1 2.3 1 6 0 -19.5448822517432 1123748 CC1=C(SC(=N1)NC2=CC=C(C=C2)NC(=O)C)C(=O)C3=CC=C(C=C3)OC 1 2.822 3 3 -5.57739641047879 1123742 C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCOCC3)SC4=C2CCCC4 1 2.976 3 3 -36.2895456473888 1123729 CC(C)C(=O)NC1=NN=C(S1)CCC2=CC=CC=C2 1 2.969 3 1 -13.1748890361553 1123723 CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)C(C)(C)C 1 4.9 3 1 -4.17031452374234 1123721 CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)C(C)(C)C 1 4.9 3 1 -3.99246364948435 1123682 C1CSC2=NC(=C(N21)N=CC3=CC=C(C=C3)OC(F)F)C4=CC=C(C=C4)OC(F)F 1 6.104 3 2 6.1263082636267 1123647 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.102 2 3 -7.9060337819204 1123610 COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=CC3=CC=CC=C3C=C2 1 4.722 1 2 0.28124967609489 1123597 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 2.58 2 5 0 -9.08728538843372 1123579 COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4)OC 1 2.882 3 4 0 -2.39814586133535 1123578 C1=CC2=C(C=C1NC(=O)C3=CC=C(O3)Br)N=C(O2)C4=CC=NC=C4 1 2.878 3 3 4.09197989228501 1123573 CC(C)COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.97 2 4 -8.89450422669332 1123013 CC1(C(=O)N(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)[N+](=O)[O-])CC=C)C 1 3.14 3 4 0 -14.2902997081142 1122989 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 0.381 4 4 0 -14.7623029583778 1122988 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 3.004 3 2 -7.25938736409479 1122986 C1COCCN1C(=O)CSC2=NN=C(O2)C3=CC=CC=C3Br 1 1.914 3 3 0 -15.9731978801826 1122744 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=NC=C(C=C3)Br 1 3.362 2 2 -4.1976673157677 1122716 CC1=C(C=C(C=C1)[N+](=O)[O-])C2=C(N=C(N2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4 1 5.73 3 5 0 1.33710092633717 1122688 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2=CC=CC=C2C(=O)O 1 2.533 2 6 0 -19.0440653391021 1122678 CC1=CC=C(C=C1)N(CC(=O)N2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.678 2 3 -14.1746539695483 1122676 COC1=CC(=C(C=C1)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)OC 1 3.127 2 5 0 -18.7551379136333 1122669 COC1=CC(=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)Br)OC 1 3.399 2 3 -3.9179876891497 1122641 CC1=CN=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C#N 1 4.867 4 2 -12.0694039733098 1122613 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.299 3 3 -10.6761734552855 1122610 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=NNC(=O)C4=CC=NC=C4 1 3.615 4 1 -6.39538444118763 1122607 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=NC(=CS3)C4=CC=CS4 1 3.542 2 3 -8.39011568087717 1122605 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NCC2=CN=CC=C2 1 1.889 2 4 0 -11.3009038162692 1122592 C1CN(CCC1N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5 1 3.323 3 2 6.04268170673205 1122590 CC1=CC(=CC=C1)NC(=O)CC2=CC=C(C=C2)F 1 3.341 1 1 -2.00126496941548 1122589 CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.642 1 5 -8.20949089555008 1122581 C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)Br)C=NO 1 4.177 1 2 9.45289314996801 1122575 CC1=CC=C(C=C1)COC2=CC=C(C=C2)C=NO 1 3.71 1 2 2.97427706451302 1122554 C1CN(CCN1CC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3 1 3.236 2 2 -11.4259512803416 1122537 C1CN(CCN1CC2=CC=C(C=C2)Br)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 5.062 2 1 -5.15260122308439 1122528 COC1=CC(=C(C=C1)OC)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.455 2 4 -13.987289472387 1122474 CC(=O)NC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 2.867 2 2 -5.01538883203255 1122471 C1CN(CCC1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4 1 3.263 3 2 -6.49205177197207 1122459 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)F 1 2.676 2 3 -9.52860183230983 1122457 C1=CC=C(C(=C1)CC(=O)NCCC2=CC=C(C=C2)F)[N+](=O)[O-] 1 3.077 2 3 -12.0649468762153 1122454 CC(C)(C)C(=O)N(CC1=CC=CC=C1)C2=CC=CC=N2 1 3.674 2 1 -6.35601705395657 1122445 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-] 1 2.365 3 5 0 -14.3549536071459 1122440 C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 2.382 3 4 0 -16.7466191079061 1122437 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-] 1 2.365 3 5 0 -16.0951626808017 1122436 COC1=CC=CC(=C1OC)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 2.455 2 4 -14.0720909282248 1122423 CC1=NC(=CC=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 2.832 3 2 -7.84585536852173 1122417 CC(C)(C)C1=NN=C(S1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.824 4 3 0 -13.0192075128767 1122404 COC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43 1 3.676 2 2 -3.06714040303527 1122393 COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3F)OC)OC 1 2.941 2 4 -3.80454823710379 1122390 COC1=C(C(=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC)OC 1 2.438 2 5 0 -14.1725469015599 1122377 CC1=C(C=C(C=C1)C(=O)CC2=CC3=C(C(=CC=C3)OC)OC2=O)C 1 4.255 0 4 -2.94422584952275 1122366 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CCCC3=CC=CC=C3 1 3.513 2 4 -4.87976974455569 1122363 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC(=CC=C3)F 1 3.743 2 1 4.42442647252667 1122355 COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3Br)OC 1 3.5 2 3 -4.58669969023241 1122347 COC1=C(C=CC(=C1)C=NO)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.101 2 5 0 -3.56404853080277 1122342 CC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2O)C 1 3.345 1 2 0.760326032333144 1122338 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3OC 1 2.957 2 3 -14.0619746806077 1122329 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC 1 2.941 2 4 -15.3984187426972 1122311 COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CO3)OC)OC 1 2.13 2 5 0 -2.84363316823147 1122296 C1C(CN2N1C(=O)C=CC2=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 0.648 3 6 0 -8.94099133046262 1122291 CCOC1=C(C=CC(=C1)C=NO)OCC2=CC=C(C=C2)F 1 3.761 1 3 -1.03005431849463 1122289 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.515 2 5 0 -12.9361302826391 1122279 COC1=C(C=C2CCCCC2=C1)NC(=O)C3=CC=CO3 1 3.506 1 3 -8.53962613324485 1122276 C1=CC=C(C=C1)C2=NOC(=N2)C3=CN=CC=C3 1 1.994 3 1 0 3.71936705512705 1122250 CC1=CC=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)Cl 1 4.204 2 1 6.12958519513581 1122241 C1=CC(=C(C=C1NC(=O)CCC(=O)O)Cl)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.573 2 4 -9.09513996252796 1122227 CC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC3=C2CCCC3 1 5.157 1 2 -6.16163775341251 1122223 C1=CC=C(C(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)F)Cl 1 4.28 1 1 -3.34867957321546 1122218 CCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC 1 2.385 2 3 -7.49500156242974 1122217 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.61 3 5 0 -12.504513143268 1122214 C1CN(CCN1C2=CC=CC=C2F)C(=O)CC3=CC=CC=C3[N+](=O)[O-] 1 3.008 3 3 -7.50474375342964 1122209 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NC5=NN=C(S5)C 1 2.039 6 4 0 -11.6553626823359 1122207 COC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=CC=C2)OC 1 3.081 4 3 0 -12.257960083218 1122173 CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3)C 1 3.766 2 3 -6.00409373969943 1122117 CCOC1=C(C(=CC(=C1)C=NO)Br)OC 1 2.721 1 3 0.226832485487345 1122132 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC=CC=C3F 1 3.284 2 1 -1.54721586534557 1122134 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NCC4=CC=NC=C4 1 3.445 4 0 -5.31538257072291 1122140 C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=NO)Cl 1 3.888 1 2 1.91817624155189 1122146 COC1=C(C=C(C=C1)CC(=S)N2CCOCC2)F 1 2.579 1 2 -3.75787744100716 1122116 CC1=CC(=NN1C(=O)CCCC(=O)N2C(=CC(=N2)C)C)C 1 1.89 4 2 0 -10.5781185046612 1122115 C1=CC=C(C=C1)SCC(=O)NCCC2=CC=C(C=C2)F 1 3.541 1 1 -8.20362732757014 1122084 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=C3CCCCC3=C2)OC 1 5.511 1 2 -6.86734438232035 1122080 CC1=CSC(=N1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 1.823 3 3 0 -10.6050983599487 1122070 CC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3C(=O)OC 1 3.19 3 4 0 -17.4069240803491 1122051 CCOC1=C(C=CC(=C1)C=NO)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.45 2 5 0 -4.24777919423083 1122041 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=NC=C3 1 2.01 3 2 -8.6744766672957 1122039 COC1=C(C=C2CCCCC2=C1)NC(=O)C3=CC(=CC=C3)F 1 4.316 1 2 -8.76078332236394 1122029 C1CN(CCN1C2=CC=CC=C2F)C(=O)CCC3=CC=CC=C3 1 3.569 2 1 -2.95128958523827 1122015 C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)/C=C(\C#N)/C(=O)NN3C=NN=C3 1 2.687 5 2 0 -5.20943063649833 1121978 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3C4=CC=CC=C4N=N3 1 3.635 4 2 -4.40682033245509 1121963 CCCN(CCC)C(=O)CC1=CC=C(C=C1)F 1 3.229 1 1 -7.62544602895325 1121958 CC1=NN(C(=C1/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3)Cl)C4=CC=CC=C4 1 4.281 3 2 -4.79651359960114 1121944 CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C=NNC(=O)C4=CN=CC=C4 1 3.761 4 1 -9.05506592160009 1121903 CC1CCN(CC1)C(=O)/C(=C/C2=CC=CC=C2Cl)/C3=CC=CC=C3 1 5.023 1 1 -8.88961022820723 1121887 CN(C)C(=O)OC1=C(C=C(C2=CC=CC=C21)Cl)Cl 1 4.036 1 2 -0.972623415269725 1121878 CNC1=NN=C(S1)C2=CC3=C(C=CC(=C3)Cl)OC2=O 1 2.259 3 2 -1.08452213837744 1121839 CC(=O)CCS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)CCC(=O)C 1 2.102 0 7 0 -10.3963995982 1121835 CC(=O)CC(C)(C)S(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C(C)(C)CC(=O)C 1 3.267 0 7 0 -4.10713751841105 1121815 CC(=O)CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)CC(=O)C 1 1.606 0 7 0 -6.57475610808101 1121776 C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl 1 2.365 2 4 -21.7124956473765 1121744 C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.796 3 3 -1.82760102307155 1121741 COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCCC3 1 3.221 2 2 -4.1502600642484 1121731 CC1=C(C=C(C=C1)Cl)C2=CC=C(O2)C=NN3C=NN=C3 1 3.4 4 1 7.12147204508462 1121705 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCOCCOCCOCC2 1 -8.2e-002 2 6 0 -12.4049017903464 1121702 COC(=O)C1=CC=CC=C1C(=O)N2CCOCCN(CCOCC2)C(=O)C3=CC=CC=C3C(=O)OC 1 1.574 2 8 0 -12.1315453873781 1121692 C1CCC(CC1)CC(=O)NCC2=CC=C(C=C2)Cl 1 3.993 1 1 -11.1699935643951 1121690 C1CCC(CC1)CC(=O)NC2=CC=CC(=C2)C#N 1 3.201 2 1 -8.58845775017085 1121653 COC1=CC=C(C=C1)CCNC(=S)NC2=CC=CC3=CC=CC=C32 1 5.309 2 1 -7.82899513307501 1121652 C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3 1 4.146 2 1 -0.486424176771458 1121648 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCC3 1 1.502 2 3 0 -10.5562622131174 1121645 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C3=CC=CO3 1 4.115 0 5 -7.272959622256 1121624 C1CCN(CC1)C(=O)NC2C3=CC=CC=C3C4=CC=CC=C24 1 3.376 2 1 -6.12799521617981 1121612 C1CCC(CC1)CC(=O)NCC2=CC=C(C=C2)F 1 3.534 1 1 -12.2801152295167 1121610 CC1=C(C=C(C=C1)C(=O)NCCN2CCOCC2)Cl 1 2.015 2 2 -9.1103941211873 1121591 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=C)Cl 1 3.315 0 3 -5.26190532845635 1121556 CC1CCC(=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)CC1 1 5.157 2 2 -7.16027645588895 1121535 C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.441 1 4 -8.90751273454179 1121531 C1CCC(CC1)CC(=O)NC2=CC=CC=C2C#N 1 3.201 2 1 -9.22603032222103 1121529 C1CCN(C1)C(=O)C2=CC(=C(C=C2C(=O)O)Cl)Cl 1 2.663 1 3 -5.85660765502181 1121526 CC1=CC=CC(=C1)C2=NOC(=N2)CC3=CC=CC=C3 1 3.666 2 1 5.9193924938759 1121511 CC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC 1 2.474 1 5 -11.1341507294256 1121490 C1=CSC(=C1)C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3 1 3.285 0 4 -10.5980857443598 1121482 CCC1=CC=C(C=C1)OCC(=O)NC2=CC=CC3=C2CCCC3 1 4.905 1 2 -6.68453558584323 1121436 C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)/C=C/4\C(=O)NC(=O)N4)F 1 3.025 3 2 -8.4108422403521 1121420 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2 1 4.504 2 3 -5.99254512325676 1121410 CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC)C 1 4.507 3 2 -7.15675766744853 1121409 CC1=CC(=C(C=C1)C)NC(=O)CSC2=CC=CC3=C2N=CC=C3 1 4.166 2 1 -10.0457039009622 1121365 CCN(CC)C(=O)OC1=CC2=C(C=C1)C=C(C=C2)Br 1 4.153 1 2 -2.93451723134794 1121363 CCC1=CC=C(C=C1)OCC(=O)NC(C)C 1 2.542 1 2 -11.7518945258354 1121362 C1CCCCCC(CCCCC1)NC(=S)NC(=O)C2=CN=CC=C2 1 5.356 3 1 -11.9059868935933 1121354 CC1=NN=C(N1N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C 1 1.487 4 2 0 -1.12532538052897 1121338 CC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)Cl 1 3.54 1 3 -8.67835770778639 1121328 CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=C)Cl 1 3.771 0 3 -6.08657430590311 1121320 C1CCN(CC1)C(=O)OC2=C(C=C(C3=CC=CC=C32)Cl)Cl 1 4.953 1 2 -2.00215550886891 1121308 CC1(CC2=CC(=C(C=C2C(=N1)CSC3=CC=CC=C3C(=O)O)OC)OC)C 1 4.142 1 4 -11.91285171415 1121305 COC(=O)COC1=CC=CC=C1/C=C/2\C(=O)NC(=O)N2 1 0.427 2 5 0 -14.1862939360631 1121299 CC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C)Br 1 4.318 2 1 -5.84795638937253 1121260 C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 4.209 1 2 -6.99717669810639 1121259 CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.958 2 1 -1.06749917838897 1121207 COC(=O)CN(C1=C(C=CC(=C1)C(F)(F)F)Cl)S(=O)(=O)C 1 2.26 1 4 -7.72113775946927 1121197 CC1=CC(=C(N1C2=CC=CC=C2OC)C)C=O 1 2.74 1 2 -3.7046780017963 1121188 CC(C)CC(=O)NC1=CC2=NN(N=C2C=C1)C3=CC=CC=C3 1 3.667 4 1 -9.10923807692734 1121185 C1COCCN1CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC=C(C=C4)Cl 1 3.368 4 2 -6.20813249573583 1121183 C1CCN(C1)CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC=C(C=C4)Cl 1 4.141 4 1 -3.45505777065567 1121149 C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3O 1 2.771 3 2 -3.58558750359769 1121117 COC1=CC=C(C=C1)CC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 3.828 2 2 5.13575306017728 1121076 CC1=CC=C(C=C1)OS(=O)NC2=CC=CC3=NC=CN=C32 1 2.702 3 2 2.04047611089132 1121074 C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OC(=O)C4=CC=CS4 1 4.763 0 4 -7.41239346755917 1121061 C1=CC(=CC(=C1)OC(=O)C2=CC=CS2)/C=C(\C#N)/C(=O)N 1 2.524 2 3 -13.9032334947097 1121022 CC1=CC(=C(C=C1)OCC(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2)C 1 4.931 1 2 -3.23073076649539 1121017 C1=CC(=CC=C1SC2=CC=C(O2)/C=C/3\C(=O)NC(=O)N3)Cl 1 3.039 2 3 -3.30928614557019 1120985 C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N 1 2.13 2 4 -6.42394391761213 1120962 COC1=CC=C(C=C1)C(=O)OC2=CN=CC=C2 1 2.094 1 3 -6.09926246617844 1120960 CC(=O)NC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)Cl)C3=CC=CS3 1 3.421 3 2 -6.94873037067439 1120959 CC(=O)NC1=C(N=C(S1)NC(=O)C2=CC=CC=C2OC)C3=CC=CS3 1 2.74 3 3 -10.6344296443297 1120958 CC(=O)NC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)OC)C3=CC=CS3 1 2.74 3 3 -9.18369527040535 1120957 CC1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)NC(=O)C)C3=CC=CS3 1 3.243 3 2 -8.77072906126121 1120954 CC(=O)NC1=C(N=C(S1)NC(=O)C2=CC=CO2)C3=CC=CS3 1 2.152 3 3 -7.96227088959919 1120948 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=C)Cl 1 4.227 0 3 -5.80767234778374 1120944 CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2 1 2.337 1 5 -12.4025739694814 1120943 CCC1=NN=C(S1)NC(=O)CCN2C(=O)CCC2=O 1 -0.301 4 3 0 -21.3304395876695 1120919 CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C 1 1.677 2 2 0 -17.6652749471515 1120911 C1=CC=C(C(=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)F 1 2.14 3 4 0 -10.6779661261859 1120847 C1COCCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/C#N 1 2.337 3 5 0 -13.5373039416948 1120786 CC(C)CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 2.079 2 5 0 -12.9987515313517 1120780 C1CN(CCN1C/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 3.083 4 2 -6.45927945516627 1120764 COC1=C(C=C(C=C1)/C=C(\C(=O)N2CCCCC2)/NC(=O)C3=CC=CC=C3)OC 1 3.085 2 4 -22.6441096271184 1120624 CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4 1 4.715 3 1 0.130206071710563 1120621 CCOC1=CC=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.473 2 5 0 -14.2738221473716 1120620 CCOC1=CC=C(C=C1)N(CC(=O)N2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.703 2 4 -12.7055256975961 1120619 CCOC1=CC=C(C=C1)N(CC(=O)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.247 2 4 -12.351057183428 1120615 CCOC1=CC=C(C=C1)NC(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=C(C=C3)C 1 3.945 2 6 0 -17.1610620195706 1120610 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC(=C2)C)C3=CC(=C(C=C3)OC)OC 1 4.099 2 5 0 -14.7697265619172 1120598 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=C(C=C2)OC)OC)C3=CC=CC=C3F 1 3.818 2 5 0 -19.2171450925364 1120594 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)OC)C3=CC=CC=C3F 1 3.835 2 4 -15.0614329974994 1120586 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCOCC2)C3=CC=CC=C3F 1 2.168 2 4 -17.0698798456415 1120567 CS(=O)(=O)N(CC(=O)N1CCOCC1)C2=CC=CC=C2Br 1 0.648 2 4 0 -16.3156879269481 1120566 CS(=O)(=O)N(CC(=O)N1CCCC1)C2=CC=CC=C2Br 1 1.422 2 3 0 -14.3929229630045 1120553 CCOC1=CC=CC=C1N(CC(=O)NC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.459 2 6 0 -22.6114480711214 1120551 CCOC1=CC=CC=C1N(CC(=O)NC2=C(C=CC(=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.459 2 6 0 -19.9426397476026 1120550 CCOC1=CC=CC=C1N(CC(=O)NC2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 3.459 2 6 0 -21.8500076262695 1120548 CCOC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3 1 3.476 2 5 0 -17.8691759751282 1120547 CCOC1=CC=CC=C1N(CC(=O)NC2=CC(=CC=C2)OC)S(=O)(=O)C3=CC=CC=C3 1 3.476 2 5 0 -17.6098648069653 1120543 CCOC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.492 2 4 -17.9769383150407 1120538 CCOC1=CC=CC=C1N(CC(=O)NC2CCCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.774 2 4 -20.4564774111909 1120528 C1COCCN1C(=O)CN(C2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3 1 3.083 2 4 -15.4414331638738 1120507 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)Br 1 3.056 1 3 -3.00171629156644 1120499 CC1=CC(=C(N1C2=CC(=CC(=C2)Cl)Cl)C)C=NNC(=O)CC3(OCCO3)C 1 3.326 3 3 -7.78948164148908 1120498 CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C=NNC(=O)CC3(OCCO3)C 1 3.326 3 3 -8.95067140081094 1120458 CC1=C(C=C(C(=C1)C2=CC=C(O2)/C=C\3/C(=C(C(=O)NC3=O)C#N)C)[N+](=O)[O-])C 1 3.909 3 5 0 -0.231295893008869 1120453 CC1=CC=CC=C1NC(=O)C2=C(C(=NN2C)C(=O)NC3=CC=CC=C3C)[N+](=O)[O-] 1 3.636 5 4 0 -8.41169007804007 1120452 CCOC1=CC=C(C=C1)NC(=O)C2=C(C(=NN2C)C(=O)NC3=CC=C(C=C3)OCC)[N+](=O)[O-] 1 3.328 5 6 0 -7.11649645767738 1120451 CN1C(=C(C(=N1)C(=O)NC2=CC=C(C=C2)OC)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OC 1 2.63 5 6 0 -6.35027330596936 1120450 CC1=CC(=C(C=C1)OC)NC(=O)C2=C(C(=NN2C)C(=O)NC3=C(C=CC(=C3)C)OC)[N+](=O)[O-] 1 3.603 5 6 0 -8.24323398223479 1120435 CC1=CC=CC2=C1N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=CO4 1 4.82 1 2 -17.3245452407721 1120381 CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC=CS2 1 2.742 2 2 -17.6883540628627 1120379 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CO4 1 3.184 3 6 0 -5.24176548333245 1120365 C1=CC(=CC(=C1)O)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 1.399 3 6 0 -8.59168703286694 1120358 CC(=O)OC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C4=CC=CC=C4C2=O 1 3.725 1 4 -7.81543596312482 1120357 CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4 1 4.019 4 3 0 -6.44406926194665 1120346 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=CC=C4 1 4.019 3 3 -2.3581232444752 1120226 CCOC(=O)/C(=C/C1=CC(=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C)C)OC)/C#N 1 3.917 2 5 0 -18.3310492482682 1120189 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2(CCCC2)C3=CC=CC=C3 1 4.027 1 4 -19.5608728353401 1120173 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)N3C(=CC(=N3)C)C 1 1.656 6 3 0 -14.3040295156451 1120169 CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)N 1 4.885 3 2 -17.1562202485871 1120143 CC1(CC2=C(CO1)SC(=C2C(=O)O)NC(=O)C3=CC=CC=C3Cl)C 1 3.234 1 4 -17.090031710785 1120133 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=C(C=CC=C2OC)OC)C 1 2.357 2 5 0 -13.520095562103 1120126 COC1=C(C(=C(C(=C1)C(=O)NC2=NC=CS2)Br)OC)OC 1 2.311 2 4 -7.98624946236222 1119977 C1=CC(=CC(=C1)Cl)C(=O)N(CC2=CC=CO2)CC(=O)NC3=C(C=C(C=C3Cl)Cl)Cl 1 5.303 2 3 -7.88214363839345 1119975 C1=COC(=C1)CN(CC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)C3=CC=C(C=C3)Cl 1 5.303 2 3 -8.74234248342569 1119944 COC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2OC)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 3.094 2 7 0 -22.7256132067596 1119943 COC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 3.316 2 6 0 -20.9833576617987 1119910 CNC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.254 2 3 -14.1204307695398 1119888 CC1=CC(=NC(=N1)SCC(=O)OCN2C(=O)C3=CC=CC=C3C2=O)C 1 2.049 3 4 0 -13.626352056706 1119887 C1=CC=C2C(=C1)NC(=N2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 5.136 3 1 -1.16190027931665 1119846 CCNC1=NC(=NC(=N1)NC(C)(C)C)NC(C)C 1 1.523 6 0 0 -11.6447696592751 1119842 CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6 1 4.929 4 1 -8.53034486961763 1119840 CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N5C1=NNC5=S 1 4.371 4 1 -9.8214886683298 1119834 CC1=CC(=NC(=N1)C2=CC=CC=C2)N3C=C(C(=O)NC3=O)Br 1 1.886 4 2 0 -0.398129680473149 1119768 CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CCl)C)C 1 3.11 3 1 -3.34514674815993 1119752 CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4 1 3.826 6 0 2.44105272574628 1119736 CC1=CC(=NC(=N1)NC2=NCC(=O)N2C3=CC(=CC(=C3)Cl)Cl)C 1 3.095 5 1 -2.13021003235183 1119724 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NCC(C)C 1 2.919 4 4 0 -8.56187277450597 1119557 CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=NC=NN2 1 2.9 4 2 -5.19384647229333 1119474 COC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)COC3=CC=C(C=C3)Cl 1 3.332 3 4 0 -18.9277026304357 1119459 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3 1 2.03 5 3 0 -10.0613788638748 1119446 C1=CC(=CC=C1N2C(=NN=C2SCC(=O)O)C3=C(C=C(C=C3)Cl)Cl)Br 1 5.543 3 2 -7.26888960603568 1119441 COC1=CC(=C(C=C1)N2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl)OC 1 4.974 3 2 -2.08176603366517 1119323 CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCC3=CC=CC=C3 1 3.04 4 2 -8.39647345824054 1119300 C1CCN(CC1)CCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3 1 3.334 3 3 -13.0512715488091 1119299 C1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3Cl 1 4.69 2 2 -6.69952657456092 1119296 C1COCCN1C2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4 1 2.938 2 2 -4.25027372072709 1119287 CC(=O)NC1=C(C2=C(C=CC(=C2)Br)NC1=O)C3=CC=CC=C3 1 2.304 2 2 -6.40495881979375 1119276 CCC1=NC(=CC2=CC(=C(C=C21)OC)OC)C3=CC(=C(C=C3)OC)OC 1 4.418 1 4 -2.18050802318406 1119240 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.868 3 2 -7.88025296301372 1119214 C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)N)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4 1 5.098 3 2 -11.2861042202956 1119212 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 3.763 3 4 0 -6.17643063732817 1119211 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.593 2 4 -11.7767921505026 1119209 CCOC(=O)N1CCN(CC1)C(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C 1 2.663 3 4 0 -9.28476542482687 1119207 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.731 3 4 0 -8.61797257389725 1119204 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC4=C3N=CC=C4 1 4.011 3 2 -11.2163396650202 1119115 C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2C3=CC=CC=C3[N+](=O)[O-] 1 4.354 1 5 -11.0532860588302 1119086 CCOC(=O)C1=C(ON=C1P(=O)(N2CCOCC2)N3CCOCC3)N 1 -1.488 4 6 0 -7.5753675515099 1119052 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3 1 3.457 1 4 -15.3259434851073 1119036 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C(=O)O 1 3.403 2 5 0 -10.9183664306553 1119032 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.557 2 4 -9.27003448927266 1119029 C1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.701 2 4 0 -23.1439167059441 1118915 COC1=CC=C(C=C1)C=NNC(=O)COC2=CC=CC=C2C3=CC=CC=C3 1 4.02 2 3 -3.84073504234675 1118796 CC1=CC(=O)OC2=C1C=C(C=C2)OC(=O)CSC3=NC(=CC(=N3)C)C 1 3.479 2 4 -14.2665689469809 1118789 COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-])OC 1 3.691 3 5 0 -15.4553783229691 1118750 CN1C=C(C=CC1=O)C(=O)NN=C/C(=C/C2=CC=CC=C2)/Br 1 1.508 3 2 0 -10.61941319735 1118740 C1=CC=C2C(=C1)N=C(S2)SCC(=O)NNC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.127 4 2 -8.63628915955375 1118707 CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)S(=O)(=O)C3=CC=C(C=C3)F 1 4.311 1 3 -7.30650695629096 1118693 CN(C)CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3 1 3.131 3 2 -16.3381017745313 1118441 CC1=C(SC2=C1C(=O)N3CCC4=C(C3=N2)NC5=C4C=C(C=C5)OC)C(=O)NC6=CC=CC=C6 1 4.691 4 3 0 -10.9354306628138 1118434 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=CC=CC=N4)C=CC=C3C1=O 1 2.124 3 3 -7.83107028279045 1118414 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 0.275 3 4 0 -25.7502858763672 1118397 COC1=C(C=C(C=C1)/C=C(\C(=O)N2CCOCC2)/NC(=O)C3=CC=CC=C3)OC 1 1.855 2 5 0 -24.212406076894 1118369 COC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3N4C2=NCCC4)OC 1 2.469 3 3 -15.740790935339 1118366 COC1=C(C=C(C=C1)CNC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)OC 1 4.563 3 2 -9.5062587598636 1118298 CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C)NC3=CC=C(C=C3)NC(=O)C 1 1.46 6 2 0 -3.71169954527655 1118280 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCCC4=CC=CC=C43 1 5.226 2 2 -14.2994961231262 1118273 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3CCCCC3 1 4.771 2 2 -14.1418978395935 1118272 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCC4=CC=CC=C4C3 1 4.777 2 2 -16.3232332139703 1118260 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC(=CC=C3)NC(=O)C 1 2.946 3 3 -11.9349610109146 1118257 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=C(C=C(C=C3)OC)OC 1 3.792 2 4 -13.2985910946444 1118253 C1=CC(=CN=C1)NC(=O)C2=CC=C(C=C2)F 1 1.669 2 1 0 -3.92950650608966 1118252 C1=CC(=CC=C1C(=O)NC2=CC=NC=C2)F 1 1.669 2 1 0 -3.75005271128412 1118251 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 1.538 3 5 0 -7.75877661217594 1118249 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3 1 2.616 3 3 -12.7085228246692 1118248 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)OC)OC 1 1.405 2 5 0 -10.8686936933898 1118243 C1=CC(=C(C=C1Cl)S(=O)(=O)NC2=CC=NC=C2)Cl 1 2.495 2 2 0.504734937497678 1118219 COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)O 1 3.72 1 5 -11.4000155879022 1118216 COC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.467 2 5 0 -19.2628370492009 1118209 CN(C1=CC=C(C=C1)C(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 2.157 3 3 -11.9288769561329 1118195 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C 1 0.765 3 4 0 -13.9801033025074 1118193 CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)OC)S(=O)(=O)C 1 1.906 2 5 0 -17.7602076008196 1118192 CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2C)S(=O)(=O)C 1 2.408 2 4 -18.3537415510649 1118186 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.573 3 3 -11.6499150405544 1118172 COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)N3CCCC3 1 2.24 2 4 -14.5327988627371 1118170 COC1=C(C=C(C=C1)/C=C(/C#N)\C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O 1 2.429 3 6 0 -16.6543859687186 1118127 COC1=CC=CC=C1NC(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C 1 3.298 2 4 -16.1918442038812 1118099 CCN(CC)C1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C 1 2.723 5 2 0 -8.21631415227909 1118098 CC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C 1 2.607 4 3 0 -15.1098968239456 1118065 CC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 3.441 2 3 -7.84271285772588 1118046 CC1=CC=C(O1)C2=C(OC3=C(C=C(C=C23)Br)Br)CCC(=NO)C 1 4.848 1 3 6.50395330367538 1118039 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.498 3 4 0 -19.5590302175385 1118025 CCNC1=NC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)C)NC(C)C 1 2.23 6 2 0 -11.2940292143743 1118024 CCNC1=NC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)NC(C)C 1 0.997 7 2 0 -10.596021342023 1118003 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=NC(=CC(=N3)OC)C 1 4.14 3 3 -9.19120360130623 1118002 CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2=NC(=C(C(=N2)OC)Br)C 1 3.922 3 3 -10.0765916018516 1117990 C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 1 2.609 1 5 -14.0574955509319 1117984 C1=CC(=CN=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.231 2 3 -9.41141016938325 1117979 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CN=CC=C4 1 1.937 4 3 0 -12.1618229953392 1117976 C1CCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NCC3=CN=CC=C3)Cl)Cl 1 2.377 3 3 -17.9764215544749 1117972 CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3 1 1.966 2 4 0 -21.7268385325929 1117968 CCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3 1 1.569 4 4 0 -26.7758774447715 1117963 CC1=CC(=NO1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.558 3 5 0 -29.812615286356 1117958 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC=CS4 1 3.578 2 5 0 -25.874347237477 1117957 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CO3 1 1.381 2 4 0 -23.5981385886715 1117956 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Cl 1 2.245 3 3 -16.599568170265 1117955 C1CSCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3 1 2.828 2 3 -15.6834119916618 1117949 C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=C(C=C3)Cl 1 2.037 2 4 -14.0656043775189 1117935 CCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(CC)CC)Cl 1 2.495 4 3 0 -23.5704435797645 1117934 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=NN=C(S2)C 1 1.828 4 3 0 -22.6369879371167 1117933 CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 0.154 4 4 0 -27.9121766950725 1117931 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NN=C(S2)C 1 1.164 4 3 0 -24.1938826175303 1117926 CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.367 6 2 0 0.851966603033508 1117888 CC(=C1C(=O)CC(CC1=O)(C)C)NCCN2CCN(CC2)C(=S)NC3=CC=CC=C3 1 3.507 4 2 -19.6615857870734 1117871 CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=C(N3)C=C(C=C4)OC)[N+](=O)[O-] 1 4.484 5 3 0 -3.35364099301043 1117870 CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=CC=CC=C4N3C)[N+](=O)[O-] 1 4.706 5 2 0 -4.53006467752684 1117869 CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=CC=CC=C4N3)[N+](=O)[O-] 1 4.501 5 2 0 -4.09024855753674 1117867 CC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=C(C=C3)Br 1 4.748 3 1 -4.06730921699057 1117866 CCCC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC 1 3.57 2 3 -6.15676648703127 1117844 CC(C)CNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)C 1 1.151 2 3 0 -8.19953963534185 1117842 CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C(\C#N)/C(=O)NCC3=CC=CO3 1 3.261 3 3 -15.5968446670152 1117512 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCCl)O 1 3.424 2 4 -12.9217791983749 1117511 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(C2=CC=CC=C2C)(C3=CC=CC=C3C)O 1 3.962 2 4 -11.3716968749491 1117440 CC1=CC=CC(=C1)C2=NN(C(=N2)SCC(=O)NC3=CC=CC=C3)C(=O)C 1 3.406 4 2 -4.40967319959229 1117435 C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)O 1 5.25 2 2 -9.15245469920079 1117432 C1=CC(=CN=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)Br 1 2.812 5 1 -7.03472949287532 1117431 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3 1 3.006 5 1 -8.35894833145021 1117430 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3 1 1.803 5 2 0 -11.1147509691574 1117420 CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=NNC(=O)C3=CC=NC=C3)OC)C 1 3.108 4 4 0 -14.3531636725405 1117417 C1=CC(=CC(=C1)[N+](=O)[O-])CN(C2=CC=C(C=C2)Br)C(=O)C3=CC=CO3 1 4.442 2 4 -6.00239225538268 1117396 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2CCCCC2)C(=O)C3=CC=CC=C3Cl 1 4.783 3 4 0 -11.816055939507 1117395 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2CCCCC2)C(=O)C3=CC=C(C=C3)Cl 1 4.783 3 4 0 -10.6730067690905 1117374 C1CCC(CC1)N(CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl 1 4.961 3 4 0 -9.65755419570691 1117372 C1=COC(=C1)C(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl 1 4.358 2 4 -3.67994674148769 1117371 C1=COC(=C1)C(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br 1 4.442 2 4 -5.13660648658912 1117368 C1CCC(CC1)N(CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl 1 4.961 3 4 0 -10.9475313638085 1117367 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3CCCCC3 1 4.486 3 5 0 -12.269881244814 1117235 CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN(C=N2)C3=CC=CC=C3 1 2.811 4 2 -4.61980525483219 1117212 CC1=C(N2C=CC=CC2=N1)C3=CSC(=N3)NC4=CC=C(C=C4)NC(=O)C 1 2.258 5 1 1.66118962398565 1117205 CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NC4=CC=CC(=C4)C(=O)O 1 2.383 5 2 0 2.60463436182562 1117191 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=CC=CC=C4OC 1 4.026 4 2 0.554142413138009 1117184 C1CN(CCC1C(=O)N)C(=O)COC2=CC3=CC=CC=C3C=C2 1 1.462 2 3 0 -3.60917605388263 1117137 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3 1 3.05 3 3 -14.2449637678716 1117134 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C 1 2.817 3 5 0 -10.2278381842338 1117128 COC1=CC(=C(C=C1)N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC 1 1.877 4 7 0 -24.2497296524648 1117127 COC1=CC(=C(C=C1)N(CC(=O)NCC2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC 1 3.012 3 8 0 -23.7904750071725 1117125 COC1=CC(=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC 1 3.692 3 7 0 -19.8074473349439 1117124 CC1=CC=C(C=C1)CNC(=O)CN(C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.514 3 7 0 -21.6294460255307 1117123 CC1=CC=CC=C1CNC(=O)CN(C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.514 3 7 0 -22.9496357531321 1117122 COC1=CC(=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC 1 3.024 3 7 0 -18.663956973927 1117109 CN1CCC(=NNC(=O)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C)CC1 1 2.543 4 3 0 -10.3947244642013 1117107 CC1=CC(=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)CC3(OCCO3)C)C)C 1 2.969 3 3 -8.88916547454969 1117106 CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)CC3(OCCO3)C)C 1 2.483 3 3 -9.50885868566649 1117095 CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NN=CC3=C(N=C4C=C(C=CC4=C3)OC)Cl)S(=O)(=O)C)C 1 5.399 4 4 0 -8.28640290415295 1117053 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.62 2 6 0 -19.2045567610258 1117015 C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=C4O 1 2.981 2 4 -9.01820695553219 1117002 CN(C)C(=O)COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N(C)C 1 1.431 2 6 0 -11.7750476030434 1116978 COC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3 1 3.336 2 3 -11.6028485048662 1116973 C1=CC=C2C=C(C=CC2=C1)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CS5 1 5.137 2 1 -4.77667862256847 1116953 CC(C)NC1=NC(=NC(=N1)N(CCOC2=C(C=C(C=C2)Cl)Cl)C#N)NC(C)C 1 4.069 7 1 0 -4.91505389180204 1116825 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O 1 1.951 4 4 0 -13.3787911091302 1116824 CC1(CC(=O)C(=CNCC2CCN(CC2)C(=O)NC3=CC=CC=C3)C(=O)C1)C 1 1.69 3 3 0 -15.2001880945791 1116822 CC1(CC(=CC(=O)C1)NCCN2CCN(CC2)C(=S)NC3=CC=CC=C3)C 1 3.673 4 1 -23.9380862495171 1116764 COC1=C(C=CC(=C1)SC)C(=O)NC2=NC=C(C=C2)Br 1 3.276 2 2 -4.33493901118368 1116759 C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(O3)C4=C(C=C(C=C4)Cl)Cl 1 4.833 4 1 -4.26302972128914 1116757 C1=CC=C(C=C1)C2=CN=C(N2)SCC(=O)NC3=CC=CC=C3F 1 3.452 3 1 -5.12391604692943 1116743 C1=CC(=CC(=C1)NC(=O)C(F)(F)F)C(=O)NC2=NC=CS2 1 1.82 3 2 0 -8.55371091288704 1116520 COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)OC 1 5.134 2 4 2.64851404085295 1116503 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC3=CC=CC=C3C(F)(F)F 1 3.677 2 4 -5.37878201758758 1116476 CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CS2)C(=O)OC(C)C 1 3.067 1 4 -21.8830403835768 1116441 CC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.798 4 3 0 -10.6340539338993 1116439 CC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 3.403 3 4 0 -9.86994807769224 1116436 CC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C 1 3.055 4 3 0 -12.616745393584 1116398 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3)C 1 2.245 4 4 0 -12.0029788370925 1116390 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C=C3)OCO4 1 3.071 1 6 0 -18.7789109716269 1116363 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4 1 3.185 2 4 -9.6414783789313 1116305 CC1=NC(=CC=C1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 3.545 2 2 -3.88818458519972 1116292 CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.403 2 6 0 -9.20683113762907 1116277 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCN2CCOCC2 1 1.861 2 5 0 -15.7742630395446 1116276 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C(=O)OCC 1 2.45 2 6 0 -11.4462567148126 1116274 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.87 2 4 -7.52146490682537 1116265 CCOC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C 1 0.74 5 5 0 -27.312017144663 1116257 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCC4=CC=CC=C43 1 1.273 5 3 0 -23.3234735239402 1116253 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCC4=CC=CC=C4C3 1 0.824 5 3 0 -25.3475716156472 1116250 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4 1 0.795 6 3 0 -18.3423975694011 1116249 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 1 6 3 0 -17.3692173487937 1116248 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 1.459 6 3 0 -13.6784992247238 1116232 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 1.865 5 3 0 -17.9166323716592 1116221 CC1=CC(=NC=C1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.257 2 3 -5.35080052749543 1116214 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 1 5.484 2 1 -7.51714050972089 1116213 C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 1 5.035 2 1 -9.32128228562668 1116206 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2OC3=CC=CC=C3 1 3.48 1 4 -8.54742993404862 1116205 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2OC3=CC=CC=C3 1 3.013 2 4 -5.6534181079564 1116203 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC 1 2.718 3 6 0 -8.58289824462733 1116202 COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-])OC 1 2.735 3 5 0 -7.18484537173204 1116126 COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=C(C=C(C=C3)OC)OC)OC 1 3.228 3 8 0 -12.2984944204023 1116115 CN1C2=C(N=C1OC3=C4C(=C(C=C3)Cl)C=CC=N4)N(C(=O)N(C2=O)CC5=C(C=C(C=C5)Cl)Cl)C 1 5.764 5 3 0 -1.42304904653603 1116110 C1=CC=C(C(=C1)C2=CC=CC=C2NC(=O)C3=CC=CO3)NC(=O)C4=CC=CO4 1 3.708 2 4 -2.45800780854812 1116108 C1=CC=C(C=C1)OCC(=O)N(CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)F 1 3.524 2 4 -6.75175073139259 1116102 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)Br 1 2.815 1 5 -21.9265994193481 1116099 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl 1 4.378 1 6 0 -9.08420012187422 1116094 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)Br 1 3.48 2 5 0 -8.74838808436555 1116087 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 3.772 2 5 0 -1.21391596726934 1116028 CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=CO4 1 4.82 1 2 -18.2155012978343 1115990 CC1=CC(=CC(=C1)OCC(=O)NNC(=O)CN2C(=O)C3=CC=CC=C3C2=O)C 1 1.563 3 5 0 -9.884699283249 1115971 CC1=CC=C(C=C1)C(=O)NC(C(Cl)Cl)NC(=O)C2=CC=C(C=C2)C 1 4.175 2 2 -7.49444327893525 1115931 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)Cl 1 2.976 4 3 0 -8.81205524331251 1115929 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl 1 2.524 3 3 -2.96346486618057 1115922 C1=CC=C2C(=C1)C=CN=C2SCC(=O)O 1 2.15 1 2 -10.6611504075835 1115921 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCN4C(=O)C5=CC=CC=C5C4=O 1 4.242 3 3 -0.307356178407161 1115919 C1COCCN1C(=O)/C(=C\C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/NC(=O)C5=CC=CC=C5 1 4.061 4 3 0 -7.58156217151952 1115909 CN1C2=C(N=C1OC3=CC=CC=C3OC)N(C(=O)N(C2=O)CC4=CC=CC=C4F)C 1 3.774 4 4 0 -8.35677411389104 1115889 C1CCN(CC1)C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CS3 1 2.965 3 4 0 -20.5152345558273 1115869 C1CCCN(CC1)C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CS3 1 3.421 3 4 0 -20.5152345558273 1115801 CC1=CC=CC=C1C2=CC=C(O2)/C=C/3\C(=O)N=C(S3)N4CCOCC4 1 3.787 2 3 -3.01429069223797 1115796 CC1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=O)N=C(S3)N4CCOCC4 1 3.787 2 3 -3.00058544891739 1115783 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C(=CC=C3)CC=C)OC2=O 1 2.772 2 4 -15.8112440065577 1115774 CC1=C(C=CC(=C1)S(=O)(=O)N2C=NC3=C2C=CC(=C3)[N+](=O)[O-])Cl 1 3.747 3 4 0 -3.96900097368367 1115773 CC1=NC=C(N1S(=O)(=O)C2=C(C=CC(=C2)Br)OC)[N+](=O)[O-] 1 2.086 3 5 0 -6.82913133189168 1115771 COC1=C(C=C(C=C1)Br)S(=O)(=O)NCC2=CC=CC=N2 1 2.121 2 3 -6.25880593965131 1115770 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.527 2 5 0 -11.6925012180934 1115767 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.749 2 4 -9.32126812459067 1115766 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)OC 1 2.749 2 4 -14.6475559000704 1115759 CC1=C(C=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 2.77 2 5 0 -13.2327683718775 1115755 CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 2.757 1 6 0 -6.99972379852413 1115754 CC1=CC=CC(=C1)C(=O)NC2=NSC(=N2)N 1 1.745 4 1 0 -0.664899634633558 1115637 CN1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)NC(=O)N3C 1 1.213 7 4 0 -6.09526025598296 1115596 CCN1C(=O)C(=C2N(C(=O)C(=C3N(C4=CC=CC=C4S3)C)S2)C)N(C1=S)C 1 3.673 4 2 -9.06305011887927e-002 1115513 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2OC)Cl)Cl 1 3.047 2 3 -4.74477186465031 1115489 CCOC(=O)C1=C(C2=CC=CC=C2CC1(C)C)NC(=S)NC(=O)C3=CC=CC=C3 1 4.883 2 3 -13.1815112785405 1115484 CC1=CC(=O)OC(=C1C(=O)OCC(=O)C2=CC=C(C=C2)Br)C 1 3.103 0 5 -13.7761348705784 1115482 C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.567 3 4 0 -3.91309912355244 1115474 COC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4OC 1 3.19 2 5 0 -16.082305343979 1115377 CCOC(=O)C1=C(SC2=C1C=CC(=C2O)Br)NC(=O)C 1 2.647 1 4 -3.32810679023206 1115368 COC1=CC(=C(C=C1)C=NNC(=O)C2=C(C=NN2)Br)OC 1 2.134 4 3 0 -4.70618511757265 1115335 CC1=CC(=C(C=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Br 1 2.876 3 5 0 -15.5903799209132 1115319 COC1=CC(=C(C=C1)OC)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 1.608 3 7 0 -17.068620585396 1115318 CCOC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 1.973 3 6 0 -15.5864995207341 1115317 COC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 1.624 3 6 0 -14.8202763690261 1115316 COC1=CC=CC(=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 1.624 3 6 0 -14.8873381085178 1115307 CC1=CC(=CC=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 2.127 3 5 0 -12.9434317407322 1115305 CN(C)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 1.803 4 5 0 -17.0685965384946 1115275 COC1=CC2=CC(=C(C=C2C=C1)OC)C(=O)N3CCOCC3 1 1.807 1 4 0 -6.94946364322873 1115271 C1C(=NN(C1=O)C2=CC=CC(=C2)C(=O)O)N 1 2.4e-002 3 3 0 -7.78854061363278 1115254 C1=CC=C(C=C1)C2=NN(C(=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4 1 4.478 5 4 0 -10.0029205460017 1115251 CC1=CN=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C#N 1 4.867 4 2 -12.0694039733098 1115192 COC1=CC=CC(=C1OCC(=O)O)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.847 2 4 -4.46040255976536 1115184 CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC5=C(C=C4)OCCO5 1 4.075 4 4 0 -9.87946739870372 1115164 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2CCN(CC2)C 1 2.134 3 5 0 -14.1988461270315 1115153 C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 2.59 3 3 -13.3082873580856 1115131 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3=C(C=CC=C3Cl)F 1 4.616 2 4 -11.6320135154017 1115000 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3Cl)CC(=O)N 1 1.879 5 3 0 -15.3482604572534 1114938 CC(C)(CNC1=NS(=O)(=O)C2=CC=CC=C21)CNC(=O)C3=CC=CC=C3OC 1 2.374 3 4 0 -13.5524290768255 1114916 CCC(=O)N(NC1=NS(=O)(=O)C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C 1 2.299 3 5 0 -10.690276548516 1114907 C1=CC(=CC(=C1)NC(=O)COC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(F)(F)F 1 4.229 2 4 -1.70694066663317 1114900 C1=CC=C2C(=C1)C(=NS2(=O)=O)N(CCOC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4Cl 1 5.235 2 4 -7.68021939643192 1114880 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3 1 2.11 2 5 0 -13.3938139794556 1114759 CC1=C(C=C2C(=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)C4=CC=CC=C4)C)C 1 3.908 5 1 -4.63847566337565 1114757 CC1=CC=CC=C1NC2=NC(=NC(=N2)SC3=NCCS3)NC4=CC=CC=C4C 1 5.913 6 0 -7.09646830249265 1114756 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)SC3=NCCS3)NC4=CC=C(C=C4)C 1 5.913 6 0 -6.46305494235138 1114741 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 3.856 3 2 -21.2638622437544 1114736 COC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 2.867 3 3 -22.6470686805166 1114679 C1=CC=C(C=C1)C(=NOC(=O)C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=N3 1 5.395 2 2 -0.407679527357981 1114632 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=NC(=C(C(=N2)OC)Br)C 1 3.305 3 3 -4.15028017360523 1114608 COC1=CC(=CC(=C1OC)OC)C=NNS(=O)(=O)C2=CC=CC=C2 1 2.337 2 5 0 -5.24668563989668 1114588 CC(C)NC1=NC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)NC(C)C 1 1.375 7 2 0 -9.22652624942156 1114587 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.839 1 4 -5.62121318952062 1114547 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=NC(=CC=C2)C(=O)NN=CC3=CC=C(C=C3)N(C)C 1 3.567 7 2 0 -11.2184108306517 1114519 COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC=CO3 1 4.186 2 4 -19.858857140933 1114514 COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=N3)OC 1 3.9 4 3 0 -10.4812847803708 1114512 CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=NN(C=C2Br)C 1 2.483 5 3 0 -10.91143584217 1114510 CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC(=C(C=C2)F)F 1 3.067 3 3 -11.2394313829855 1114484 C1=CC(=CN=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br 1 3.156 3 1 -1.34199066740874 1114483 CC(=O)NC1=CC(=C(C=C1)N2CCOCC2)Cl 1 1.464 2 2 0 -3.12631262492387 1114260 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)Cl 1 3.793 2 2 -2.40251433041999 1114258 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)Cl 1 3.793 2 2 -4.61651510836272 1114256 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)Br)Cl 1 3.092 2 3 -3.8157416057502 1114207 CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)Cl 1 4.168 2 4 -6.77046223459162 1114187 CC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CN=CC=C3 1 2.735 3 2 -7.01127249840418 1114184 C1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=CN=CC=C3 1 3.577 3 2 -4.1979537986983 1114183 C1=CC(=CC(=C1)Cl)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CN=CC=C3 1 2.913 3 2 -4.65721318606291 1114182 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 2.248 3 2 -7.53474269692007 1114156 CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4 1 3.4 3 2 3.27227959087609 1114153 COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)F)OC 1 4.238 2 4 3.4306225344418 1114151 CN(C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43 1 3.834 2 4 -8.16896703227128 1114147 CC1=CC(=C(C=C1)C)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O 1 3.52 4 4 0 -5.87905510073341 1114100 C1=CSC(=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.276 2 3 -10.0636219223212 1113983 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=C(C=C5)Cl)C(F)(F)F 1 4.391 6 2 0 -19.3158444109921 1113976 C1COCCN1C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)Cl)C(F)(F)F 1 3.615 4 2 -11.0208465398767 1113965 CN1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)Cl)C(F)(F)F 1 3.885 5 1 -6.6955137152324 1113954 CC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 4.213 6 2 0 -21.3261396959127 1113921 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)N4CCCC5=CC=CC=C54 1 5.428 4 1 -13.5694568240276 1113907 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)NCC4=CC=CO4 1 3.88 4 2 -15.5412184354977 1113906 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)N4CCN(CC4)C 1 3.278 5 1 -9.18569479778994 1113812 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=C(C=C5)OC)C(F)(F)F 1 4.374 6 3 0 -18.5782860150009 1113800 COC1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)N4CCOCC4)Cl 1 3.598 4 3 0 -10.331742959895 1113795 COC1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NCC4=CC=CO4)Cl 1 4.47 4 3 0 -12.9280103969207 1113786 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CO5)C(F)(F)F 1 4.204 5 3 0 -8.30410196302079 1113762 CN(CCC1=CC=CC=N1)C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CO4)C(F)(F)F 1 4.219 5 2 0 -8.69833165108077 1113751 CC(C)OC(=O)C1=NN2C(=CC(=NC2=C1Cl)C3=CC=CO3)C(F)(F)F 1 4.49 3 3 -8.84023178216687 1113730 CC1=CC(=NO1)NC(=O)C2=NN3C(=C2)N=C4C(=C3C(F)(F)F)CCC5=CC=CC=C54 1 4.373 5 2 0 -16.0713783229373 1113703 CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCOCC3)C4=CC=CC=C4 1 3.666 1 5 4.21780074178146 1113674 C1COCCN1C2=NC(=NC(=N2)NCC3=CC=CO3)NCC4=CC=CC=C4 1 1.76 6 2 0 -3.32828000535641 1113672 C1COCCN1C2=NC(=NC(=N2)NC3=CC(=CC=C3)O)N4CCOCC4 1 0.639 6 3 0 1.49608388418601 1113670 CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4 1 3.672 6 1 0 -1.01852343996761 1113669 CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.213 6 3 0 -2.60760956268038 1113661 C1COCCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC=CC=C3)/NC(=O)C4=CC=CC=C4 1 3.093 2 4 -16.1241625151773 1113659 CC1=C(C(C(=C(N1)C)C(=O)C)C2=CC=C(O2)C3=CC=CC=C3Cl)C(=O)C 1 3.28 1 3 -10.3981497297766 1113642 CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC=CS3 1 3.896 2 1 -7.44536182574284 1113641 C1=CC(=CC(=C1)Cl)CC2=CN=C(S2)NC(=O)C3=CC=CS3 1 4.074 2 1 -6.27186617934284 1113555 C1=CC(=C(C(=C1)Cl)Cl)CC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.679 3 3 -7.23949786223909 1113554 C1=CC(=CC=C1C(=O)NC2=NC=C(S2)CC3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-] 1 4.679 3 3 -5.21371721760969 1113519 C1COCCN1CC(=O)NC2=CC=CC=C2C(=O)O 1 -2.761 2 4 0 -10.505567121938 1113288 C1COCCN1C(=O)/C(=C\C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/NC(=O)C5=C(C=C(C=C5)Cl)Cl 1 5.39 4 3 0 -2.05944894642839 1113270 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.842 4 6 0 -14.7727325420686 1113256 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CC=NC=C3)OC 1 2.899 3 7 0 -16.2502241511773 1113037 C1COCCN1CCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3 1 3.045 2 3 -8.17991490262371 1112978 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)COC4=CC=CC5=CC=CC=C54 1 5.741 1 2 -3.44629703246438 1112963 C1COC(OC1)CCSC2=NN=C(O2)C3=CC=C(C=C3)Br 1 3.035 2 3 -6.66609158488586 1112949 COC1=CC=CC=C1C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3 1 4.913 0 3 -5.40244342098865 1112920 C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=CC=CC=C4S3)C#N 1 4.682 3 1 -22.9786080449933 1112897 COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C(=O)COC3=CC=CC=C3 1 2.57 2 5 0 -7.20719876466406 1112890 COC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC2)CC3=CN=CC=C3 1 1.601 3 3 0 -3.44332881792739 1112875 C1CN(CCN1CC2=CC=CO2)C(=O)C3=CC(=CC=C3)F 1 2.172 2 2 -1.29668595319357 1112871 COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-] 1 2.662 3 4 0 -6.04326573904798 1112848 C1CN(CCN1CC2=CC=CC=C2Br)C(=O)C3=CC=C(C=C3)F 1 3.738 2 1 -0.900122420389214 1112844 CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=C(C=CC=C3OC)OC 1 3.238 2 3 -3.48910867347863 1112833 COC1=CC(=C(C=C1)CN2CCN(CC2)C(=O)CC3=CC=CC=C3)OC 1 2.786 2 3 -6.10477162597469 1112830 C1CN(CCN1CC2=CC=CC=C2Br)C(=O)C3=CC=CC=C3 1 3.533 2 1 -2.57606001037622 1112815 CC(=O)NC1=CC=C(C=C1)OC(=O)COC2=CC=C(C=C2)Br 1 2.966 1 4 -8.74387713722148 1112810 COC1=CC=CC=C1NC(=O)C2=CC=CC3=C2C=CC=C3Br 1 4.255 1 2 -6.41867217880381 1112738 CC(=O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)S(=O)(=O)NC(=O)C 1 0.883 2 6 0 -6.30526320808495 1112660 CCOC(=O)/C(=C/C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)OC)OC)/C#N 1 2.928 2 6 0 -16.6567630205861 1112460 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 2.719 2 7 0 -21.4450295613868 1112418 CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.379 1 4 -8.31569614193774 1112410 CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)COC2=CC=C(C=C2)Cl 1 2.747 1 5 -9.58618621336644 1112406 CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)COC2=CC=C(C=C2)Br 1 2.831 1 5 -11.0428459584679 1112404 CCCC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)CC)O 1 3.481 1 5 -10.0342748112137 1112400 CC1=C(C=CC=C1Cl)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 4.049 3 3 -9.3850046431852 1112393 C1COCCN1NC(=S)NCC2=CC=CC=C2 1 1.571 3 1 0 -9.35516336377465 1112346 C1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5 1 3.934 3 4 0 -5.6381101836739 1112324 C1C2=C(C3=CC=CC=C3O1)N=C(S2)N 1 1.842 2 1 0 7.40564204848989 1112318 C1=CC=C(C(=C1)CC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl 1 4.015 3 3 -8.7293315024868 1112316 C1CN(CCN1C2=NC3=CC=CC4=C3C2=CC=C4)C5=NC6=CC=CC7=C6C5=CC=C7 1 3.956 4 0 2.97563954906456 1112304 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br 1 3.252 4 3 0 -14.5358895716769 1112284 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)C 1 1.542 5 5 0 -15.9008614723446 1112170 C1=CN=C(N=C1)SC2=CC=C(O2)C=O 1 1.969 2 2 0 -2.10908373755287 1111969 CN(CCO)C(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3 1 2.658 2 3 -13.7223737373375 1111968 CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C(=O)NC4=CC=CC=C4 1 3.551 3 2 -15.8882569855672 1111938 COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NC3=CC=C(C=C3)Br 1 3.431 2 3 -4.54499046400834 1111936 C1=CC(=CC=C1NC(=O)C2=C(OC3=CC(=O)C=CC3=C2)N)Br 1 1.89 2 3 0 -2.52688167791016 1111911 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(O3)C4=CC=CS4 1 3.897 3 3 -4.55014105830452 1111832 COC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)OC 1 0.848 6 4 0 -4.50054069735824 1111831 CCOC(=O)CNC1=NC(=NC(=N1)NC2=C(C=C(C=C2)OC)OC)Cl 1 2.115 5 4 0 -9.83406322858271 1111827 C1COCCN1C2=NC(=NC(=N2)NC3=NC(=CS3)C4=CC=CC=C4)N5CCOCC5 1 1.825 7 2 0 3.32458169305941 1111816 C1=CC=C2C(=C1)C=CC=C2NC(=O)CSCC(=O)NC3=CC=CC4=CC=CC=C43 1 3.884 2 2 -8.16777639195266 1111774 CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=C(C=C3)C 1 4.2 4 1 -6.49627073174154 1111771 CCN1C2=CC=CC=C2N=C1NC(=O)C 1 1.562 3 1 0 -4.21852202248088 1111726 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)OC3=NC=C(C=C3)[N+](=O)[O-] 1 2.359 5 5 0 -11.4978770244884 1111674 CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NCC4=C(C=CC(=C4)[N+](=O)[O-])O 1 4.44 4 3 0 -0.930709435651858 1111665 CC1=NC=CN1CCOC2=CC=CC=C2Cl 1 2.48 2 1 -0.383397547964026 1111658 C1=CC(=CC=C1C2=CC(=O)N3C(=N2)C=C(N3)C4=CC=C(C=C4)Cl)[N+](=O)[O-] 1 2.857 4 3 0 0.216103236229127 1111639 C1=CC=C(C(=C1)NC(=O)NC2=CN=CC=C2)Cl 1 2.036 3 1 -3.99669620827862 1111638 C1=CC=C(C(=C1)NC(=O)NC2=CC=CC=N2)Cl 1 2.575 3 1 -3.37366822476031 1111373 COC1=CC(=CC(=C1OC)OC)C2=C3C=C(C=CC3=NO2)Br 1 4.13 1 4 1.46991491159896 1111229 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=C(C=C5)Br 1 4.046 6 2 0 -20.8460535326368 1111217 C1COCCN1C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=C(C=C4)Br 1 3.27 4 2 -13.1456886769489 1111155 COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)N4CCC5=CC=CC=C5C4 1 4.476 4 2 -15.7865648090775 1111138 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3C(=CC(=N3)C(F)(F)F)C 1 3.55 3 3 -18.4191599838315 1111137 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C(=CC(=N2)C(F)(F)F)C 1 3.255 3 3 -16.2978781800836 1111112 CC1=C(C(=NN1CC(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-])Br 1 2.731 4 3 0 -13.8225579782143 1111099 CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)[N+](=O)[O-])Br 1 4.195 4 5 0 -23.1292691650773 1111056 C1CCCN(CC1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CO4 1 3.603 4 2 -11.4228659774481 1111054 C1CC2=CC=CC=C2N(C1)C(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=CO5 1 4.337 4 2 -13.1469858553417 1111041 C1CCN(C1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4 1 3.249 4 1 -14.7545089255515 1111037 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C5N=C(C=C(N5N=C4)C(F)(F)F)C6=CC=CS6 1 5.941 5 1 -18.9455278300301 1111030 C1COCCN1C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4 1 2.475 4 2 -16.6772738894952 1111019 CN(CC1=CC=CC=C1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=C(C=C4)OC 1 4.401 4 2 -11.1403517402785 1111012 COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)NCC4=CC=CO4 1 3.377 4 3 0 -15.9541846446419 1111004 COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CCCC4 1 3.707 4 2 -11.333046475664 1110965 COC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NCC4=CC=CO4)OC 1 3.789 4 4 0 -19.0183364103154 1110947 CN1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)F)C(F)(F)F 1 3.426 5 1 -8.0844090464168 1110941 C1COCCN1C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)F)C(F)(F)F 1 3.156 4 2 -12.4097418710611 1110893 CC1=C(C(C(=C(N1C2=CC=C(C=C2)N(C)C)C)C(=O)OC)C3=CC=CC=C3)C(=O)OC 1 4.242 2 4 -12.6674834707854 1110886 CC(=O)NC1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)NC(=O)C)C4=CC=C(C=C4)NC(=O)C 1 2.926 5 3 0 0.583570308024847 1110868 C1COCCN1C2=C(N=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.268 2 4 -9.04762939921457 1110850 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)F 1 3.81 2 2 -6.30880372462298 1110835 CC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 0.621 6 3 0 -6.46177903714487 1110810 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)N=CC4=CC5=C(C=C4)OCO5 1 4.485 3 2 -5.39221979768989 1110808 CC(=O)OC1=C(C=C(C=C1OC)C=NN2CCN(CC2)C3=CC=C(C=C3)Cl)OC 1 3.592 3 4 0 1.07993382922727 1110807 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3CCN(CC3)C4=CC=CC=N4 1 3.236 6 0 2.1594882381521 1110803 CN(C)C1=CC=C(C=C1)C=NN2CCN(CC2)CC3=CC=CC=C3Cl 1 3.931 4 0 1.11075562804868 1110801 CSC1=CC=C(C=C1)C=NN2CCN(CC2)CC3=CC=CC=C3Cl 1 4.31 3 0 5.97715894713115 1110800 COC1=C(C=C(C=C1)Br)C=NN2CCN(CC2)CC3=CC=CC=C3Cl 1 4.501 3 1 5.26168261274012 1110799 C1CN(CCN1CC2=CC=CC=C2Cl)N=CC3=CC=CC=C3[N+](=O)[O-] 1 3.663 4 2 0.850725391488094 1110798 CCN(CC)C1=CC=C(C=C1)C=NN2CCN(CC2)CC3=CC=CC=C3 1 3.964 4 0 -1.09650269649508 1110796 CC(=O)OC1=C(C=C(C=C1OC)C=NN2CCN(CC2)CC3=CC=CC=C3)OC 1 2.839 3 4 0 -1.17907458960368 1110776 CC(C)CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.717 2 5 0 -7.57931338062091 1110775 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.398 2 5 0 -5.9164641988864 1110774 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.874 2 5 0 -5.01528840642088 1110761 CCOC(=O)C1=CC2=C(N=C3C=CC(=CN3C2=O)C)N(C1=N)CC4=CN=CC=C4 1 1.129 5 3 0 -18.6891211757364 1110230 CCOC(=O)CN1C2=C(C=C(C=C2)Br)C3(C1=O)OCCCO3 1 1.592 1 5 0 -10.0641453176265 1110213 CNS(=O)(=O)C1=CC(=C2C3=C1C=CC=C3C(=O)N2)S(=O)(=O)NC 1 -0.485 3 5 0 -13.9277395862725 1110191 CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C)S(=O)(=O)C3=CC=CC=C3)C(=O)OC 1 2.612 1 6 0 -15.8597414134212 1110155 CCOC(=O)/C(=C/C1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)C)C)OC)/C#N 1 3.917 2 5 0 -16.8003223792132 1110091 C1COCCN1C2=NC(=NC(=N2)NCC3=CN=CC=C3)N4CCOCC4 1 -0.263 7 2 0 -3.33651653780884 1110085 C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)NNC(=O)CCC(=O)O 1 2.871 4 3 0 3.1938783910776 1110084 CC(=O)NNC1=NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3 1 3.109 4 1 9.05241368256747 1110074 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)NC4=CC(=C(C(=C4)OC)OC)OC 1 5.206 3 3 5.68869099743496 1110072 C1C(=O)NC2=CC=CC=C2N1C3=NC4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5 1 4.529 4 1 2.1656288212542 1110069 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(CC4=CC=CC=C43)(C)C 1 2.625 4 1 -11.130616590839 1109978 CC1=NC=C(N1CCOC(=O)NC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-] 1 2.943 4 4 0 -9.98786633420672 1109829 C1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=CC=C4 1 2.391 4 3 0 -12.9945984252059 1109527 CC1=C(C=C(C=C1)C2=CC=C(O2)C=NNC(=O)CN3CCOCC3)[N+](=O)[O-] 1 2.298 4 5 0 -7.4426967323297 1109511 C1COCCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])/C#N 1 2.337 3 5 0 -14.5438157275767 1109506 COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)N4CCOCC4 1 3.192 2 5 0 -16.7557862490933 1109486 CC(C)NC(=O)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 3.129 2 3 -16.8595798108652 1109485 COC1=CC(=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC 1 1.866 2 8 0 -16.0368064668778 1109468 CC1=C(SC(=C1C#N)N)C(=O)NN=CC2=C(C=CC3=CC=CC=C32)OC 1 3.271 4 2 -1.63135229559656 1109408 CC1=CC=C(C=C1)C(=O)NNC2=NC(=NC(=C2)N3CCCC3)N4CCCC4 1 2.932 6 1 0 -2.42732209751965 1109407 COC1=CC=C(C=C1)NC(=O)NNC2=NC(=NC(=C2)N3CCOCC3)N4CCOCC4 1 0.791 7 4 0 -4.92829499904966 1109406 C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)NNC(=O)C4=CC(=C(C=C4)Cl)Cl 1 2.228 6 3 0 -3.2354502300272 1109403 C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)NNC(=O)C4=C(C=C(C=C4)Cl)Cl 1 2.228 6 3 0 -1.54742156041292 1109399 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC2=NC(=NC(=C2)N3CCOCC3)N4CCOCC4 1 2.3 6 3 0 -1.7927425852892 1109397 C1CCN(CC1)C2=CC(=NC(=N2)N3CCCCC3)NNC(=O)CCC4=CC=CC=C4 1 3.85 6 1 0 -7.09889432503149 1109361 COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC=CS3 1 4.07 1 2 -2.16639910992519 1109319 CCOC(=O)COC1=CC(=C2C3=C(CCCC3)C(=O)OC2=C1)OCC(=O)OCC 1 3.412 0 8 0 -17.5857402774154 1109318 C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-] 1 5.274 1 5 -3.83331719295261 1109314 COC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.963 1 7 0 -9.67283780664914 1109291 CCOC1=NC(=NC(=N1)NCCN2CCOCC2)NC3=CC=C(C=C3)C 1 2.402 6 2 0 -3.63264278210542 1109282 C1COCCN1C2=NC(=NC(=N2)NNC(=O)NC3=CC=C(C=C3)Cl)N4CCOCC4 1 0.71 8 3 0 -2.00650324926724 1109049 C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3 1 4.055 2 2 -7.79656143135274 1109017 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.856 3 7 0 -22.6903937851525 1109013 CCOC(=O)C1CCN(CC1)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 2.271 1 6 0 -14.1348223923986 1109012 CCOC(=O)C1CCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)Br 1 3.252 1 4 -7.58014868845045 1108983 COC1=C(C(=CC(=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)Cl)Br)O 1 3.406 2 4 1.92675297477995 1108981 COC1=C(C(=CC(=C1)/C=C\2/C(=O)NN(C2=O)C3=CC(=CC=C3)Cl)Br)O 1 3.406 2 4 2.43615916186028 1108979 COC1=C(C(=CC(=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3)Br)O 1 2.742 2 4 -0.156548910949106 1108954 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CCCC3=CC=CC=C3 1 2.62 4 4 0 -16.5925483125947 1108930 C/C(=C/CN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C)/Cl 1 4.21 4 2 -9.465655721668 1108890 CCN1C(=O)C(=C2N(C(=O)C(=C3N(C4=C(S3)C=C(C=C4)OC)C)S2)CC=C)N(C1=S)C 1 4.274 4 3 0 -5.51887900779539 1108855 CC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3)C 1 2.993 2 1 3.86051436503957 1108847 CC(=O)C1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Br)Cl 1 4.896 1 1 3.61743967843365 1108723 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)N4CCCCC4 1 4.924 2 3 -14.7745235901736 1108556 CC1=CC(=CC=C1)N2C(=O)C3=C4C(=C(C=C3)N(C)CCO)C=CC=C4C2=O 1 3.456 2 3 -0.945943914191139 1108465 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C=CC=C4Br 1 4.121 2 2 -3.96825015081621 1108447 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=O)C4=CC5=CC=CC=C5O4 1 4.191 3 3 3.77928123834059 1108359 CC1=C(N=CC=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)NC4=C(C=CC=N4)C 1 4.667 4 2 -3.40991166013924 1108357 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)N4CCC(CC4)C(=O)OCC 1 3.529 2 6 0 -8.46017573788999 1108350 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC 1 2.606 3 6 0 -8.20231272773687 1108344 COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)OC 1 3.539 2 3 -3.6468160780375 1108340 CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)OCC 1 3.449 2 3 -6.90838616121875 1108339 CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)OCC)OCC 1 2.117 2 5 0 -10.582037519086 1108337 CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)OCC 1 3.538 2 3 -6.73267962811685 1108329 CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=NC=C2 1 0.584 3 2 0 -7.81422757351427 1108327 CC(=O)NC1=CC=C(C=C1)C(=O)NCCN2CCOCC2 1 -1.6e-002 3 3 0 -13.0281764778382 1108315 COC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C 1 2.749 2 4 -9.33418945450154 1108314 COC1=CC=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C 1 2.749 2 4 -9.99985974741853 1108310 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3Br 1 3.514 2 3 -7.56034167068062 1108305 CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2CCNCC2)C(C)C 1 3.95 2 2 -8.12878284855949 1108286 CC1=C(SC(=N1)N)C2=CSC(=N2)NCCC3=CC(=C(C=C3)OC)OC 1 2.806 4 2 6.20131917752314 1108267 COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.849 1 8 0 -14.5555064966195 1108245 C1COCCN1C(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br 1 2.458 1 4 -11.8283041606423 1108244 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCOCC3 1 1.969 1 4 0 -15.3053553181088 1108212 CC1=C(C(=NN1C)C)N2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O 1 3.173 3 2 1.17200775405357 1108211 CC1=C(C(=NN1)C)N2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O 1 2.967 3 2 0.677973946972169 1108175 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC 1 2.616 2 5 0 -23.3545260588938 1108174 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.632 2 4 -18.7965219184315 1108170 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 1.87 2 5 0 -14.2567730876564 1108169 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.608 2 5 0 -14.6221120331418 1108168 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 1.122 2 5 0 -16.0459202666265 1108159 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)OC 1 1.386 2 6 0 -25.3127087803435 1108158 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.748 2 4 -16.241274851611 1108156 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.905 2 4 0 -20.3417384307371 1108145 CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)C(=O)C)S(=O)(=O)C 1 2.295 2 4 -15.3502956546024 1108143 CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)C 1 2.411 2 5 0 -18.8403655638702 1108138 CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)OC)S(=O)(=O)C 1 2.539 2 4 -12.0485793329499 1108101 COC1=C(C=C(C=C1)NC(=O)CN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C3=CC=CC=C3)OC 1 3.775 2 6 0 -20.0553496773045 1108099 COC1=CC=C(C=C1)NC(=O)CN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C3=CC=CC=C3 1 3.791 2 5 0 -15.5935458465511 1107939 COC1=C(C=C(C=C1)C(=O)NNC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3)OC 1 3.391 2 4 -9.45198405358589 1107886 CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3CCCCC3)S(=O)(=O)C)C 1 4.569 2 3 -13.6596700720745 1107873 CC1=CC=CC=C1N(CC(=O)NC2=C(C=C(C=C2)OC)OC)S(=O)(=O)C 1 2.036 2 5 0 -20.0273248676841 1107870 CCOC1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C 1 2.58 2 4 -14.7071366063579 1107867 COC1=C(C=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C)OC 1 2.215 2 5 0 -15.7122898589556 1107863 CC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)C 1 1.925 2 5 0 -19.3115280140491 1107862 CC1=CC=C(C=C1)N(CC(=O)NC2=C(C(=CC=C2)Cl)C)S(=O)(=O)C 1 3.22 2 3 -11.1365273797097 1107856 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3)OC 1 3.693 3 5 0 -17.3835571478089 1107853 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N(C)S(=O)(=O)C4=CC=CC=C4 1 2.401 4 4 0 -22.7612868628328 1107837 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3 1 3.801 2 3 -14.1203966336831 1107834 CN(C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC)S(=O)(=O)C4=CC=CC=C4 1 3.55 3 4 0 -10.1194948070555 1107830 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)CN3CCOCC3)OCC4=CC=CC=C4 1 4.344 3 4 0 -10.9431187444254 1107829 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)CN3CCOCC3)OC 1 2.76 3 4 0 -10.7285197070857 1107828 C1COCCN1CC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4 1 3.876 3 4 0 -10.9664939058597 1107826 CC(=NNC(=O)C1=CC=C(C=C1)CN2CCOCC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4 1 3.209 4 3 0 -10.2318949779989 1107810 CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.802 2 6 0 -25.4564054882072 1107806 CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.469 3 5 0 -23.8269232644406 1107797 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC(=C(C=C2)C)Cl)S(=O)(=O)C 1 3.066 2 4 -12.9515033074529 1107796 CCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)Cl)C)S(=O)(=O)C 1 3.066 2 4 -12.9586569584866 1107795 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2Cl)S(=O)(=O)C 1 2.58 2 4 -13.3826948899355 1107794 CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CO2)S(=O)(=O)C 1 1.104 2 5 0 -19.3554514950185 1107788 CCOC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C 1 1.918 2 4 0 -14.2364757688722 1107786 COC(=O)COC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)N(CC3=CC=CC=C3)S(=O)(=O)C 1 3.074 3 6 0 -18.5451866612049 1107784 CC(C)OC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)N(CC3=CC=CC=C3)S(=O)(=O)C 1 4.093 3 4 0 -14.0803928792383 1107783 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NN=C3CCCCCC3 1 3.565 3 3 -16.2603694843765 1107782 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N(CC4=CC=CC=C4)S(=O)(=O)C 1 2.408 4 4 0 -23.3179139989399 1107779 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.083 2 5 0 -14.7479352898313 1107766 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CN=CC=C3 1 2.164 3 3 -12.48550409224 1107764 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3 1 2.171 3 3 -17.4324799502208 1107755 COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C)OC 1 3.282 2 5 0 -17.9121450031239 1107754 COC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C)OC 1 3.282 2 5 0 -17.0603947634946 1107740 CN1CCC(=NNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)CC1 1 1.618 5 5 0 -16.2708571380749 1107723 CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NN=C2CCCCCC2)C3=CC=CC=C3 1 3.565 3 3 -15.9477546679447 1107707 CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCC2=CC=CO2)C3=CC=CC=C3 1 2.503 2 4 -16.6152898544257 1107701 CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4 1 3.602 2 3 -15.8703879588069 1107661 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3 1 2.888 3 4 0 5.12066866523686 1107627 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 1.582 4 6 0 -14.7859762946921 1107624 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 1.073 3 4 0 -12.3884845793606 1107621 CC1=CC(=C(C(=C1)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C)C 1 3.908 3 4 0 -11.4986218807757 1107616 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(F)(F)F 1 1.873 3 4 0 -8.81470139841293 1107598 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3 1 2.708 3 4 0 -16.1957417507188 1107596 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3 1 0.676 3 5 0 -20.6751883519459 1107579 CC1=C(C=CC(=C1)NC(=O)C2=CC3=CC=CC=C3O2)NC(=O)C4=CC=CC=C4 1 4.48 2 3 -6.11457632421293 1107403 CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)COC3=CC=CC=C3)C#N)C 1 4.163 3 3 -18.7186733483881 1107400 CC1=C(SC(=C1C#N)NC(=O)C2=CC=CO2)C(=O)NC3=CC=CC=C3OC 1 3.221 3 4 0 -16.6127112973879 1107366 CCC(=O)NC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)O 1 3.544 2 5 0 -5.24394914235801 1107365 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)OC3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)O 1 4.495 2 5 0 -6.22037070502563 1107361 CCCC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)O2 1 3.384 2 3 -14.4657477767979 1107359 C1=CC=C2C=C3C(=CC2=C1)NC(=N3)C4=CC(=CC=C4)NC(=O)CC5=CC=CS5 1 4.951 3 1 0.224575921602701 1107358 C1=CC(=CC(=C1)NC(=O)CC2=CC=CS2)C3=NN=C(O3)C4=CC=CO4 1 3.222 3 3 -3.09393033006841 1107346 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3 1 4.022 3 3 -0.15772906563196 1107335 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4C(=O)O 1 3.772 2 5 0 -9.41564473347209 1107147 CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)N4N=C5C=CC=CC5=N4 1 4.668 4 4 0 -21.8859527079451 1107143 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)NC(=O)C3=CC=CS3 1 3.814 2 5 0 -24.4687043955526 1107140 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 1 2.156 2 4 -24.6446380422639 1107139 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CS3 1 2.395 2 3 -24.6473722704741 1107138 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC=CO3 1 1.272 2 5 0 -24.7806989672854 1107134 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)O 1 2.863 2 4 -16.8479103604709 1107132 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3 1 0.275 3 4 0 -26.280192550156 1107130 C1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CN=CC=C3)Cl)Cl 1 2.827 3 3 -12.9948887142243 1107128 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCO4 1 1.205 2 6 0 -24.7900632714698 1107127 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)Br 1 1.953 2 6 0 -22.5020090753137 1107123 CC1=C(C=C(C=C1)C(=O)NC2=NC=CS2)S(=O)(=O)N3CCCCC3 1 2.132 3 3 -19.7660092617462 1107114 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3 1 1.505 3 3 0 -24.3220098287063 1107095 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)C3=CC=C(C=C3)C 1 3.355 3 3 -6.43663051794789 1107088 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC=CS3)Br 1 1.165 3 4 0 -20.4893678457889 1107087 C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=NC=CS3)Cl)Cl 1 1.745 3 4 0 -16.43493237549 1107085 COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 1.729 1 7 0 -26.9960414736566 1107083 COC1=C(C=C(C=C1)C(=O)NC2CCCCC2)S(=O)(=O)N3CCOCC3 1 1.684 2 5 0 -23.2552021902072 1107080 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=N2)S(=O)(=O)N3CCOCC3 1 0.791 3 5 0 -20.3673170412583 1107073 C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Br 1 2.226 2 4 -8.58449360044926 1107053 C1=CC(=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)Cl)C=CC=C4C2=O)C(=O)O 1 3.641 1 4 -3.90727445361827 1107051 CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)C(=O)O)C=CC=C4C2=O 1 3.181 1 6 0 -6.75829955595269 1106991 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=C(C3=CC=CC=C32)O)Cl)Cl 1 4.799 1 3 2.02149454846862 1106964 COC1=CC=CC(=C1OC)C2N(CCN2C3=CC=CC=C3)C4=CC=CC=C4 1 5.372 2 2 -7.90671832456749 1106925 CCOC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC=C3OC)C 1 3.788 2 4 -9.66511845447518 1126047 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC(=CN=C2)Br)C 1 1.987 3 3 0 -11.0927447416155 1126001 CC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)C)[N+](=O)[O-])C 1 5.401 1 5 -4.52118990043785 1125999 CCC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)C)[N+](=O)[O-] 1 5.581 1 5 -5.22973580027091 1125990 C1COCCN1C(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 3.008 2 3 -7.12487471596298 1125968 CC1=CC(=NN1)C(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl 1 4.546 4 3 0 -6.69600072929536 1106588 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)NCC2=CC=CC=N2 1 2.385 2 3 -5.84116474305987 1106582 COC1=C(C=CC(=C1)F)S(=O)(=O)NCC2=CN=CC=C2 1 1.363 2 3 0 -4.32054189774859 1106581 CC1=NC2=CC=CC=C2N1S(=O)(=O)C3=C(C=C(C=C3)F)OC 1 3.152 2 3 -0.692407049480695 1106579 COC1=C(C=CC(=C1)F)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.765 2 3 -7.61287264409681 1106577 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.455 2 4 -10.4701548783001 1106576 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.543 2 4 -10.2944483451982 1106574 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)Br 1 2.561 2 2 -9.00353151482194 1106567 CC1=NON=C1C(=O)NN=CC2=CC3=C(C=C2Br)OCO3 1 1.715 4 4 0 -11.8576332205374 1106550 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OC)C 1 0.816 4 5 0 -20.3577496201796 1106516 C1COCCN1CC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3 1 2.796 2 3 -9.35119121674151 1106515 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CNC(=O)C3=CC(=CC=C3)Cl 1 4.491 2 3 -10.0917611347438 1106438 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=S)NC(=O)C3=CC=CC=C3 1 5.761 2 3 -10.9584483879925 1106437 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3 1 5.275 2 3 -11.725996266356 1106416 CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)/C=C\2/C(=O)C3=CC=CC=C3S2 1 2.848 1 4 -4.63757133627682 1106410 C1=CC=C(C=C1)C2=C(OC3=C2C(=N)N(C=N3)CC4=CC=CO4)C5=CC=CC=C5 1 4.332 3 2 14.9972842776379 1106407 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCC2)C3=CC=C(C=C3)OC 1 1.354 3 5 0 -17.5787962150846 1106405 COC1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3 1 3.127 2 5 0 -19.7435427780018 1106398 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3 1 3.476 2 5 0 -18.1995022158411 1106362 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 1 4.086 2 2 -9.29827111152659 1106361 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 1 4.55 2 3 -10.8699290511801 1106360 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 1 4.678 2 2 -8.07592350147364 1106359 COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 1 4.33 2 2 -7.05038918160273 1106355 C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)Br 1 5.094 2 1 -5.53541182866092 1106353 C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)Cl 1 5.01 2 1 -5.07473545003466 1106348 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 1 4.832 2 1 -6.89673414062148 1106347 CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 1 4.832 2 1 -9.53953011884872 1106331 CN(C1=CC=C(C=C1)C(=O)N2CCCCC2)S(=O)(=O)C3=CC=CC=C3 1 2.854 2 3 -12.0270952148445 1106330 CN(C1=CC=C(C=C1)C(=O)NC2CCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.133 2 3 -13.2499359022372 1106324 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 2.343 2 4 -7.15070177847584 1106310 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC(=CC=C2)OC)S(=O)(=O)C 1 1.899 2 5 0 -13.4592119905363 1106309 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2OC)S(=O)(=O)C 1 1.899 2 5 0 -16.8440309602819 1106307 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC(=CC(=C2)C)C)S(=O)(=O)C 1 2.888 2 4 -13.7721231601917 1106306 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC(=C(C=C2)C)C)S(=O)(=O)C 1 2.888 2 4 -13.6312739760017 1106304 CCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=C(C=C2)C)C)S(=O)(=O)C 1 2.888 2 4 -16.1457002583407 1106303 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C)S(=O)(=O)C 1 2.402 2 4 -13.3833591613616 1106302 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2)C)S(=O)(=O)C 1 2.402 2 4 -11.4957136080325 1106299 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)Br)S(=O)(=O)C 1 2.664 2 4 -13.0180202158762 1106298 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)C 1 2.664 2 4 -11.9246426228763 1106295 CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2)S(=O)(=O)C 1 1.922 2 4 0 -18.0167797252555 1106292 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)N(CC3=CC=CC=C3)S(=O)(=O)C 1 3.055 2 4 -14.1929026954746 1106269 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)N3CCOCC3 1 1.632 2 4 0 -14.1520188007272 1106268 CCN(CC)C(=O)C1=CC=C(C=C1)N(CC2=CC=CC=C2)S(=O)(=O)C 1 2.642 2 3 -15.4523740610005 1106266 CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3 1 3.322 2 3 -15.9200426901146 1106262 COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C 1 3.298 2 4 -12.7356812950722 1106244 CC(C)CNC(=O)C1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C 1 2.93 2 3 -16.8046748115317 1106226 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CN(C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4 1 4.85 3 5 0 -17.1666342252871 1106225 C1=CC=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 3.061 3 5 0 -21.0971704403456 1106223 C1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 2.6 3 5 0 -17.0238350219141 1106195 CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NC2CCCC2)C3=CC=CC=C3 1 3.14 2 3 -13.4939482219125 1106185 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl)/C#N 1 3.883 4 3 0 -18.7215727375314 1106166 C1=CC=C(C=C1)CNC2=NC(=C(S2)Cl)S(=O)(=O)C3=CC=CC=C3 1 3.847 2 2 -8.51188264768419 1106143 COC1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2C=CC=C3Br 1 4.255 1 2 -3.29283920864533 1106133 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=C(C=C(C=C3)Cl)Cl 1 4.795 3 2 -8.3007210621087 1106125 CC(=C)CN1C(=NN=C1SCC(=O)O)COC2=CC=CC=C2 1 2.788 3 3 -18.910516131927 1106122 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC(=O)C3=CC=CC=C32 1 3.356 2 4 -18.0027148489452 1106072 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C4C=CC=C5C4=C(CC5)C=C3 1 3.216 3 2 -11.0138625692732 1106009 C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4=C5C(=C(C=C4)C(=O)O)C=CC=C5C3=O 1 3.885 1 4 -1.03016989010896 1105985 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C4=C3C(=O)CCC4)S(=O)(=O)C5=CC=C(C=C5)C 1 5.332 2 5 0 -6.57202027655019 1105962 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.597 2 1 3.30775493909126 1105956 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-] 1 2.662 3 4 0 -5.92784390612379 1105927 CC1=C(C=C(C=C1)C(=O)NCCN2CCOCC2)C 1 1.836 2 2 0 -9.12071358884399 1105883 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.802 1 2 -13.3052832250247 1105872 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CSC4=NN=NN4C5=CC=CC=C5 1 4.882 6 0 -17.0892642368806 1105871 CC1=CC(=O)N=C(N1)SCC2=NC3=CC=CC=C3N2CC4=CC=CC=C4 1 4.049 4 1 -15.867909113341 1105870 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CSC4=NC(=O)C5=CC=CC=C5N4 1 5.112 4 1 -11.1352461577281 1105833 C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=CC=C3)F)C#N)Br 1 5.211 2 0 3.95749987418642 1105815 C1=CC=C(C(=C1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Cl 1 2.976 4 3 0 -8.98458687015255 1105804 C1=CC=C(C=C1)N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.903 4 5 0 -18.0519860954636 1105794 COC1=C(C=C(C=C1)N(CC(=O)NN=C2CCCC2)S(=O)(=O)C3=CC=CC=C3)Cl 1 3.145 3 4 0 -18.3238541206286 1105785 CS(=O)(=O)N(CC(=O)NC1CCCC1)C2=CC=C(C=C2)OC3=CC=CC=C3 1 2.969 2 4 -13.0406626903325 1105782 COC1=CC(=C(C=C1)NC(=O)CN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C3=CC=CC=C3)OC 1 3.775 2 6 0 -19.5232606391384 1105780 COC1=C(C=C(C=C1)N(CC(=O)NC2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3)Cl 1 3.791 2 5 0 -18.5148721753034 1105773 C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3 1 3.736 1 4 -9.27361765955395 1105743 CC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 2.003 3 6 0 -18.5697211707495 1105742 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)OC 1 2.247 3 6 0 -19.7316284289323 1105728 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O)C 1 0.59 4 5 0 -16.472845702039 1105727 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)CCC(=O)O 1 0.376 4 6 0 -23.6812283096412 1105726 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC(=O)N3CCOCC3 1 -0.64 4 4 0 -25.397082038687 1105687 CC1=CC(=C(C=C1)NC(=O)CCC(=O)OC)OC(=O)CCC(=O)OC 1 1.346 1 7 0 -16.9188082407409 1105656 C1=CC=C2C(=C1)N=C(N2CC(=O)NN=CC3=CC=C(O3)C4=CC=C(C=C4)Cl)C5=NON=C5N 1 4.076 7 3 0 -3.80723926146544 1105630 COC1=CC(=C(C=C1)OC)NC2=NC3=NON=C3N=C2N4CCCCC4 1 1.907 6 3 0 -14.2137856614468 1105611 CC(C)(C)C(=O)NC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC=NC=C2)NC(=O)C(C)(C)C 1 2.054 5 4 0 -16.5383590139564 1105606 CC(C)(C)C(=O)NC1=CC=CC(=C1)C2=NN=C(O2)C3=CC(=CC=C3)NC(=O)C(C)(C)C 1 4.387 4 3 0 -6.91486864991607 1105605 COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)Br)OC 1 3.856 1 4 -5.35961096923488 1105597 COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)F 1 2.093 3 6 0 -2.35396780251666 1105537 CCOC(=O)/C(=C/C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2)OC)/C#N 1 2.944 2 5 0 -16.5692237987248 1105535 C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=C3Br 1 4.051 3 3 -8.73126869108735 1105534 C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=C3O 1 3.061 3 4 0 -5.59868982869797 1105533 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)OCC(=O)NC3=CC=CC=C3 1 2.136 4 4 0 -14.1220650920521 1105532 C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=NC=C3 1 2.152 4 3 0 -10.1247409724532 1105530 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=CC=C2O)OCC(=O)NC3=CC=CC=C3 1 3.044 3 5 0 -9.59601394829687 1105529 C1=CC=C(C=C1)CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3 1 3.338 3 3 -9.08877089586936 1105521 C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)C3=CC(=CC=C3)Cl 1 5.506 2 1 -2.32047727881185 1105480 CC1(C2=C(C3=C(N1)C=CC(=C3)OC)C(=S)N(S2)C4=CC(=C(C=C4)OC)OC)C 1 4.921 2 3 -14.8277935808915 1105449 CN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N)Cl 1 5.013 5 1 -20.8292194061621 1105438 CN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC 1 3.227 4 3 0 -10.7803441077587 1105437 C1COCCN1C(=S)NC(=O)/C=C/C2=CC=C(C=C2)Br 1 3.351 2 2 -10.5618639207022 1105350 CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC3=NN=C(O3)C4=CC=CC=C4[N+](=O)[O-] 1 4.432 5 3 0 -10.0876492677928 1105286 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NC3=C(N=CC=C3)Cl 1 3.081 2 2 -2.63316105505335 1105285 CN1CCN(CC1)C(=O)COC2=CC3=CC=CC=C3C=C2 1 1.945 2 2 0 -0.960721195380294 1105282 COC1=C(C=C(C=C1)CC2=NC(=NO2)C3=CN=CC=C3)OC 1 1.996 3 3 0 -5.03991214115478 1105152 CC1=CC=C(C=C1)S(=O)(=O)CCSC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 4.447 1 5 -15.8712349494235 1105149 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.881 2 4 0 -15.750744079106 1105148 C1=CC=NC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl 1 3.819 3 3 -6.36577630790332 1105144 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])Cl 1 3.854 2 6 0 -20.9406177573459 1105141 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)F)Cl 1 3.602 2 5 0 -7.69736692378189 1105139 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Cl 1 1.472 3 4 0 -18.9122194058828 1105126 C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C(=O)O 1 3.396 2 5 0 -9.55599394408381 1105118 C1=CC=C2C(=C1)C=C(C=N2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)Br 1 4.037 3 3 -5.88233208207582 1105117 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)C(=O)O 1 3.882 2 5 0 -8.06626623707279 1105089 CC1=C(C=CC(=C1)C(C)(C)C)OCC(=O)NN=CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 3.646 4 3 0 -6.85260445449331 1105087 CN(CCO)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)C4=CC=C(C=C4)OC 1 2.953 2 4 -2.81890577374825 1105048 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 4.257 2 2 -0.18284846287857 1105005 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)SC 1 1.952 3 3 0 -11.1769235091548 1105002 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC=C(C=C4)OC 1 2.722 4 5 0 -24.3902304496256 1105000 CCOC1=CC=C(C=C1)N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C4=CC=CC=C4 1 2.585 4 5 0 -26.1571981082843 1104903 C1=CC=C(C=C1)COC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3 1 4.389 2 4 -12.1279123766747 1104902 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CNC(=O)C3=CC=C(C=C3)Cl 1 4.491 2 3 -10.9501946641529 1104901 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CNC(=O)C3=CC=C(C=C3)Br 1 4.575 2 3 -13.5985122969572 1104888 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.637 3 3 -2.2236896707616 1125853 C1COCCN1C(=O)C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Br 1 3.112 1 4 -11.6849217862884 1125832 CC(=O)N(CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)F 1 1.919 3 5 0 -6.30443411881288 1104847 C1CCC(=NCC1)NC2=NC(=CS2)C3=CC=C(C=C3)Br 1 4.071 3 0 2.54146259894412 1104827 COC1=CC=CC(=C1O)/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)Br 1 2.742 2 4 3.39319623968855 1104784 COC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)N3CCOCC3 1 2.433 1 3 -0.678625865979385 1125807 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br 1 2.28 3 3 -10.1207308911055 1104770 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC3=CC4=CC=CC=C4C=C3 1 2.451 3 3 -13.2813193150911 1104762 COC1=CC=CC=C1NC(=O)C2=C(N=CN2)C(=O)NC3=CC=CC=C3OC 1 1.973 4 4 0 -11.2462545815672 1104760 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CCC(=O)O 1 2.948 1 4 -11.6805351824147 1104693 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)Br 1 3.135 2 3 -9.99778937604642 1104642 CC1CCC2(CC1)OCC3(CCC4(C3=O)COC5(CCC(CC5)C)OC4)CO2 1 3.009 0 5 -4.70196861759709 1104676 CC1=C(N2C=C(C=CC2=N1)Br)C(=O)NN=CC3=CC=CC=C3[N+](=O)[O-] 1 2.777 5 3 0 -2.95855430147659 1104675 CC1=CC2=NC(=C(N2C=C1)C(=O)NN=CC3=C(C=CC(=C3)OC)OC)C 1 2.588 4 3 0 -6.39077238487174 1104657 C1=CC=C(C=C1)C2=CSC(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.156 3 4 0 0.695838168230718 1104601 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NN=C3C(=O)CC(CC3=O)(C)C 1 1.05 4 3 0 -17.0851084030066 1125521 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)N3CCCCC3 1 2.929 2 3 -9.47794444534561 1125373 CCN1C(=NN=C1SCC(=O)NN=C(C)C2=CC=CO2)C3=CC=CC=C3 1 2.838 5 2 0 -10.783162932777 1125356 CCN1C(=NN=C1SCC(=O)NN=CC2=CC=C(O2)C)C3=CC=CC=C3 1 3.003 5 2 0 -11.9375810124152 1125344 CCN1C(=NN=C1SCC(=O)NN=CC2=CC=CC=C2OCC(=O)O)C3=CC=CC=C3 1 2.927 5 4 0 -15.6761041230522 1125327 COC1=C(C=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2)Br 1 4.689 2 1 4.42306481986963 1125325 COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=CC=C4C(=O)O 1 4.303 5 4 0 -11.8506978155284 1125314 CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=CC=C4C(=O)O 1 4.806 5 3 0 -11.4377316063843 1125307 C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)SCC(=O)NN=CC4=CC=C(C=C4)C(=O)O 1 5.217 4 3 0 -12.748913772902 1125264 CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N(C2=N)CCN4CCOCC4 1 2.727 4 2 -7.76190556971813 1125224 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC(=CC=C4)O 1 3.098 3 3 -7.16795369352328 1125223 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC=CC=N4 1 2.728 4 2 -9.53750466802023 1125222 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC=C(C=C4)O 1 3.098 3 3 -7.72244819034099 1125167 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NNC(=O)C3=CC=C(C=C3)Br 1 2.146 6 2 0 -5.21792489054174 1125148 C1=CC=C(C(=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2)Br 1 4.377 2 2 -6.85649311637544 1125112 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=NC=C2 1 1.636 2 3 0 -2.40439082723459 1125111 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2C(=NC=C2[N+](=O)[O-])C 1 1.823 3 5 0 -6.92000760436816 1125103 CC1=C(N=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)Br)OC 1 2.924 2 3 -4.14397609326579 1125102 COC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=NC=C(C=C2)Cl 1 3.102 2 3 -2.0916487371613 1125100 COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCC3=CC=CC=C32 1 3.786 1 3 -12.4774148674973 1125097 CCC1=NC(=CN1S(=O)(=O)C2=C(C=CC(=C2)Br)OC)C 1 3.016 2 3 -6.20729469535109 1124821 CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C 1 1.269 6 2 0 -8.84484303479617 1124813 CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C 1 1.475 6 2 0 -16.2086347182662 1124786 CCOC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)C3=CC4=C(C=C3)OCO4 1 3.692 2 4 -4.08330212297849 1124785 C1=CC(=CC=C1C=NNC(=O)C2=CC=NC=C2)OC(=O)C3=CC=C(C=C3)Br 1 3.713 3 3 -10.0851634721846 1124738 COC1=C(C=C(C=C1)C=NNC(=O)C2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)O 1 4.641 4 3 0 0.647027311348283 1124704 CC1=CC=CC(=C1)C(=O)N2C(=CSC2=S)OC(=O)C3=CC(=CC=C3)C 1 5.435 1 3 -6.92899458595803 1124686 CC1=NN(C(=C1CN(C2=CC=C(C=C2)Cl)C(=O)CCl)Cl)C3=CC=CC=C3 1 4.904 3 1 -0.965820679087226 1124685 CCC(=O)N(CC1=C(N(N=C1C)C2=CC=CC=C2)Cl)C3=CC=C(C=C3)Cl 1 5.039 3 1 -0.486639610532037 1124684 CC1=NN(C(=C1CN(C2=CC=C(C=C2)Cl)C(=O)C)Cl)C3=CC=CC=C3 1 4.372 3 1 0.807249942483358 1124656 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-] 1 5.273 2 5 0 -6.62713767806086 1124649 C1=CC(=CC(=C1)Cl)NCC2=NN=C(O2)SCC3=CC=C(C=C3)Cl 1 4.785 3 1 -7.66161223480049 1124638 C1CCC(CC1)CSC2=NN=C(O2)COC3=CC=C(C=C3)Br 1 4.985 2 2 -11.6375562967216 1124634 C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3)Br 1 2.446 4 2 -14.8475133823024 1124633 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 1.553 4 4 0 -20.4746305629354 1124627 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CN=CC=C3)Cl 1 2.913 3 2 -8.57622710087779 1124626 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 2.438 3 3 -7.90450592332163 1124625 C1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)Cl 1 3.987 3 2 -6.44919856735268 1124620 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=NNC(=S)N2C3=CC=CC=C3)C4=CC=CC=C4 1 4.71 4 2 -11.3916930462154 1124532 COC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)OC)OC 1 3.671 3 4 0 -13.8950153313039 1124527 C1CCN(C1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)F)C(F)(F)F 1 3.929 4 1 -10.4869769071175 1124518 CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CN3CCOCC3 1 2.952 3 4 0 -0.5314319261504 1124517 C1=CC=C(C=C1)SC2=C(NC3=CC=CC=C32)CCC(=O)N(CCO)CCO 1 2.938 2 3 -3.05336702580119 1124514 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CCN(CC3)CC#N 1 3.105 4 3 0 -4.03999407048872 1124499 CC1=C(C2=CC(=C(C=C2N1C3=CC=CC=C3)Br)OC)C(=O)N4CCCC4 1 4.658 2 2 -4.6085201672412 1124495 CN1CCN(CC1)CC(=O)N(CC2=C(C3=CC=CC=C3N2C)C#N)C4=CC=CC=C4 1 3.159 5 1 -1.95675760876435 1124485 CN1CCN(CC1)CC2=C(C=CC3=C2C(=CO3)C(=O)C4=CC=CC=C4)O 1 3.326 2 3 7.9549229470921 1124484 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)N 1 1.499 4 2 0 -6.24810428035144 1124478 CC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 2.243 3 3 -3.92033432230511 1124477 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 0.591 4 4 0 -17.0710390007877 1124476 CC1=C(C(=NN1C(=O)CN2C(=O)C3=CC=CC=C3C2=O)C)Br 1 1.988 3 3 0 -5.50717090028065 1124434 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CS(=O)(=O)C3=CC=CC=C3 1 4.227 1 5 -7.49722467982263 1124438 COC1=CC=CC=C1NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3 1 2.729 3 2 -4.70912087889403 1124457 COC1=C(C=C(C=C1)Cl)NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3 1 3.393 3 2 -1.39018252227707 1124451 C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)CN5C(=O)C6=CC=CC=C6C5=O 1 2.969 3 3 -8.52908070847593 1124445 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CN3CCCCC3 1 4.108 2 3 -0.720007191394196 1124444 CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CN3CCCCC3 1 4.182 3 3 1.86717428476168 1124416 CCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)N)Cl 1 3.879 3 1 -1.05821482991803 1124396 C1=CC(=CN=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)Br 1 2.872 4 1 -7.85228493494478 1124373 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(\C(=O)NCC2=CC=CO2)/NC(=O)C3=CC=CO3 1 2.049 3 6 0 -21.4021012853582 1124372 C1=CC=C(C=C1)/C=C/C=C(\C(=O)NCC2=CC=CO2)/NC(=O)C3=CC=CO3 1 2.623 2 4 -13.8423717055115 1124363 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC=CC=C3Cl 1 3.9 2 1 -10.6036543787859 1124192 CC1=CC=CC=C1N2C(=CC(=C2C)C=NNC(=O)CSC3=NC(=CC(=N3)C)C)C 1 4.037 5 1 -13.2246447415016 1124191 CC1=CC(=CC(=C1)N2C(=CC(=C2C)C=NNC(=O)CSC3=NC=CC=N3)C)C 1 3.958 5 1 -9.20846180082518 1124190 COC1=C(C=C(C=C1)/C=C(/C#N)\C(=O)NC2CCCCC2)Br 1 3.935 2 2 -12.4084549107104 1124162 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CC=C3 1 1.746 1 6 0 -26.6084422579557 1124159 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Cl 1 2.701 3 3 -16.9540366844331 1124089 C1COCCN1C(=O)CC2=CC=C(C=C2)Cl 1 1.63 1 2 0 -7.53604568232203 1124076 COC1=C(C=CC(=C1)SC)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3 1 4.318 2 2 -5.00261590866715 1124075 C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)CC3=CC=C(C=C3)Br 1 4.575 2 1 -5.88356356001489 1124072 COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 3.31 2 2 -0.639863979733604 1124050 CCCN1C2=CC=CC=C2N=C1C(=O)C3=CC=CC=C3 1 4.234 2 1 -3.72147400059648 1104575 CN(C)C1=C(C=C(C=C1)C=NNC(=O)CN2CCCCC2)Br 1 2.852 4 1 -7.25026775266281 1104574 COC1=C(C=CC(=C1)C=NNC(=O)CN2CCOCC2)OCC3=CC=CC=C3 1 2.263 3 4 0 -12.3475527854169 1104566 COC1=CC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3 1 4.098 2 4 -10.9896749288733 1104560 COC1=C(C=CC(=C1)C=NNC(=O)CN2CCCCC2)OCC3=CC=CC=C3 1 3.493 3 3 -9.9489465745048 1104551 COC1=C(C=CC(=C1)C=NNC(=O)CN2CCCCC2)OCC3=CC=C(C=C3)Br 1 4.241 3 3 -8.76879272423982 1104550 CCOC1=C(C=CC(=C1)C=NNC(=O)CN2CCOCC2)OCC3=CC=C(C=C3)Cl 1 3.276 3 4 0 -10.3944698534785 1104547 COC1=C(C=C(C=C1)Br)C=NNC(=O)CN2CCCCC2 1 2.674 3 2 -2.65192186426964 1104543 CCOC1=C(C=CC(=C1)C=NNC(=O)CN2CCOCC2)OCC3=CC=CC=C3 1 2.612 3 4 0 -13.0312834488449 1104534 CCOC1=C(C=CC(=C1)C=NNC(=O)CN2CCCCC2)OCC3=CC(=CC=C3)Cl 1 4.506 3 3 -7.86719148312948 1104528 CCOC1=C(C=CC(=C1)C=NNC(=O)CN2CCCCC2)OCC3=CC=C(C=C3)Cl 1 4.506 3 3 -7.99586364256644 1104521 CCOC1=C(C=CC(=C1)C=NNC(=O)CN2CCCCC2)OCC3=CC=CC=C3 1 3.841 3 3 -10.6326772379329 1104485 CC1=NCCN1S(=O)(=O)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C 1 4.392 2 2 -4.08197956130136 1104480 C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)O 1 3.151 1 4 -6.36780974773191 1104473 COC1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)Cl 1 3.374 2 1 2.13803669716865 1104429 C1=CC(=CN=C1)C(=O)NN=CC2=CC(=C(O2)Br)Br 1 2.244 3 2 -6.18453582144686 1104418 C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)NN=CC3=CC=CC=C3OCC(=O)O 1 3.502 2 5 0 -4.966917011848 1104331 CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C 1 2.663 4 2 -6.21278622304183 1104330 CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C 1 2.663 4 2 -6.21278622304183 1104317 C1=CC=C2C(=C1)C=CC3=C2NC(=S)N3 1 3.445 2 0 -1.03680948578539 1104312 CNC(=S)NNC1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3 1 -0.314 8 2 0 -6.3918377171638 1104259 COC1=CC(=C(C=C1)C=NNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)OC 1 3.91 2 4 -5.43579197050385 1104217 C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-] 1 2.328 4 5 0 3.23455399556297 1104205 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=O)C4=CC=C(O4)[N+](=O)[O-] 1 3.01 4 5 0 0.800711211852115 1104204 CC1=C(C=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])C3=NC4=C(O3)C=CC=N4 1 3.01 4 5 0 1.46059022651478 1104203 C1=CC2=C(N=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-] 1 2.524 4 5 0 2.18081933932009 1104178 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC4=C(C=C3Cl)OCO4 1 2.951 3 3 -6.35569285669458 1104093 CC1=C(C=CC=C1NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=NC4=CC=CC=C4O3 1 4.502 2 5 0 0.587845830948904 1104092 CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC 1 4.988 2 5 0 1.07137874572111 1104031 C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)Cl 1 4.269 2 2 -8.92846789481316 1104030 CCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3)C 1 4.218 2 3 -11.733704534743 1104024 CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)C)[N+](=O)[O-] 1 4.876 2 6 0 -7.23008014847374 1104022 COC1=CC2=CC=CC=C2C=C1C(=O)NC3=NC=C(C=C3)Br 1 3.643 2 2 -5.85730582849206 1104014 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4OC3=O)[N+](=O)[O-] 1 4.389 2 6 0 -4.80730907657852 1104012 COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.356 2 3 -4.71785669680104 1104053 C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C4=CC=C(O4)Br 1 4.24 1 2 -2.03063990231677 1103946 C1=CC(=CC(=C1)Br)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 3.194 3 2 -1.22817687132614 1103953 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.918 3 3 0.981648237869575 1103957 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC 1 3.884 4 4 0 -4.62393606144453 1124038 COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)NCC3=CC=CC=C3)OC 1 2.115 5 3 0 -12.7387110468034 1123987 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NN=C(O4)CNC5=CC=C(C=C5)F 1 4.785 4 2 -11.0717463947513 1124016 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC=C(C=C3)OC 1 2.883 4 4 0 -17.6845199131929 1103894 C1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 3.365 2 3 -13.474582583987 1103893 COC1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.143 2 4 -17.88658735402 1103882 CC(=O)OC1=C(C(=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-])OC 1 3.077 3 6 0 -4.70287555074305 1103867 CN1C2=C(N=C1SCC3=CC(=CC=C3)Br)N(C(=O)NC2=O)C 1 3.109 4 2 -8.46167370284158 1103838 C1=CC=C(C=C1)C(=NOC(=O)NC2=CC=CC=C2Cl)C3=CC=CC=N3 1 4.639 3 2 -1.6507489096547 1103829 CCC1=CC=CC=C1NC(=O)CN(C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3 1 4.069 2 5 0 -16.803548453576 1103824 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)C2=C(C=CC(=C2)Cl)OC 1 3.364 1 5 -11.1470200764706 1103777 C1COCCN1C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3 1 1.682 2 4 0 -15.1007640908772 1103684 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)NN(C2=O)C3=CC(=CC=C3)Cl)O 1 3.006 2 4 0.506163689975991 1103668 C1=COC(=C1)CNC(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CS4)C(F)(F)F 1 4.44 4 2 -15.7786846813623 1103641 CC1=CC(=NC2=CC(=NN12)C(=O)NC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4 1 3.513 4 3 0 -14.6932672187592 1103630 CC1=CC(=NC2=CC(=NN12)C(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5 1 5.342 4 1 -13.5970177121071 1103613 CCOC(=O)N1CCN(CC1)C(=O)NC2=CC=C(C=C2)NC(=O)N3CCN(CC3)C(=O)OCC 1 0.892 6 6 0 -6.50983233747866 1103612 CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O 1 3.009 2 6 0 -7.24964632259547 1103595 COC(=O)COC1=CC(=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)OCC(=O)OC 1 2.759 0 8 0 -9.20372967849104 1103580 C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4C(=O)O)C(=O)N(C2=S)C5=CC=CC=C5 1 6.163 2 5 0 -3.17515008185426 1103514 C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C=NNC(=O)CSCC3=CC=CC=C3Br 1 3.998 3 3 -15.0085446866414 1103506 C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C=NNC(=O)CSCC3=CC=CC=C3 1 3.25 3 3 -16.9779890166933 1103504 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CSCC3=CC=CC=C3)Br 1 3.6 2 3 -11.1441162766718 1103489 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NNC(=O)CC3=CC=CC4=CC=CC=C43 1 3.558 2 3 -4.90084378129106 1103487 COC1=CC=C(C=C1)CC(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2 1 2.633 2 4 -4.96146773822794 1103475 COC1=CC=CC=C1C(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2 1 2.598 2 4 -8.86465679884192 1103468 C1=CSC(=C1)C(=O)NNC(=O)COC2=C(C=C(C=C2)Br)Br 1 3.157 2 3 -8.65885156971382 1103466 CC1=C(C=CC(=C1)OCC(=O)NNC(=O)C2=CC=CS2)Br 1 2.894 2 3 -10.2367588417268 1103461 COC1=C(C=C(C=C1)CC(=O)NNS(=O)(=O)C2=CC=C(C=C2)F)OC 1 1.782 2 5 0 -12.1648871906127 1103459 C1=CC=C2C=C(C(=CC2=C1)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)F)O 1 2.446 2 4 -3.27514261200685 1103458 COC1=CC(=CC(=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F)OC 1 1.747 2 5 0 -10.4634954308427 1103447 C1C2(CN(CN1CN(C2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-] 1 2.041 4 4 0 -6.50531306047567 1103446 CC1(CCCCC1)C(=O)N2CCOCC2 1 1.81 1 2 0 -7.02529161284989 1103426 C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 1.68 4 4 0 -11.9378903365057 1103417 CC1=NC2=C(C=CC3=CC=CC=C32)C(=C1)Cl 1 3.871 1 0 6.41756391502947 1103403 CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3C(=O)CCC3=O)C)N4C(=O)CCC4=O 1 2.641 2 4 -2.51242837043351 1103399 COC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=C4O 1 2.965 2 5 0 -9.00145697252169 1103398 COC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=C4OC 1 3.19 2 5 0 -15.4995272264379 1103394 CC1(CC2=CC(=C(C=C2C(=N1)NC3=CC=C(C=C3)S(=O)(=O)N)OC)OC)C 1 2.204 3 4 0 -8.30056768638605 1103381 COC1=C(C=C(C=C1)CCNC(=O)CSC2=CC=CC3=C2N=CC=C3)OC 1 3.489 2 3 -15.9616532682641 1103367 COC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)OC 1 3.314 3 3 -8.39832228260273 1103358 CN(C)CCNS(=O)(=O)C1=C2C=CC=C3C2=C(C=C1)NC3=O 1 0.742 3 3 0 -15.424990849248 1103357 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3)S(=O)(=O)NCC(=O)O 1 8.5e-002 2 5 0 -20.3314476344261 1103262 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)OC3=CC(=C(C=C3)C(=O)O)C(=O)O 1 3.387 1 6 0 -6.45202805319597 1103223 C/C(=C/CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C)/Cl 1 3.654 4 2 -12.6565331566028 1103132 CN1C2=C(C(=O)N(C1=O)CC(=O)N)N(C(=N2)Br)CC3=CC=CC=C3 1 1.322 5 3 0 -15.8596181298506 1103129 C1=CC2=CC3=C(C=C2C(=C1)Br)C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O 1 3.725 1 4 -7.20551271299168 1103121 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2Br)Cl 1 3.284 2 2 -5.21876922766539 1103084 C1=COC(=C1)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 4.128 2 5 0 -2.51146515263274 1103009 CN(C)C1=NC(=NC(=N1)N(CN2C(=O)C3=CC=CC=C3C2=O)C#N)N(C)C 1 0.731 8 2 0 -5.44452719847126 1102946 C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)Br 1 2.226 2 4 -7.51132965741716 1102945 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 1.461 2 5 0 -9.36279875507878 1102917 C1=CC(=CC=C1C(=O)O)OC2=CC(=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C(=O)O 1 4.104 1 8 0 -3.02135810805409 1102906 C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)C(=O)O 1 2.606 1 6 0 -3.79602745710962 1102901 C1=CC(=CC=C1N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)C6=CC=C(C=C6)O)C2=O)O 1 3.472 2 6 0 -1.91466828959081 1102900 C1=CC(=CC(=C1)O)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)C6=CC(=CC=C6)O)C2=O 1 3.472 2 6 0 -0.954650255601415 1102860 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Br)C(F)(F)F 1 4.904 2 1 -2.05382996464685 1102807 CC(=O)C1=C(SC(=C1)C(=O)C2=CC=C(C=C2)OC)NC3=CC=CC=C3 1 4.585 1 3 -3.93340966479959 1102806 CCOC(=O)NC1=C(N=C(S1)C)C2=CC=CC=C2 1 2.73 2 2 -1.51494703815581 1102769 COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC=C(C=C3)Br 1 4.519 1 4 -13.6194769358104 1102768 C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.681 2 5 0 -12.4787046072621 1102766 COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC=CC=C3 1 3.77 1 4 -14.9628542680627 1102658 CCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Cl)Br)N(C1=O)C 1 3.189 4 4 0 -17.0049510935499 1102654 CCN(CC)C1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C 1 2.836 5 2 0 -8.09066845698301 1102651 CC(C)(CO)NC1=NC(=NC(=N1)NC2=CC=CC=C2)NC3=CC=CC=C3 1 2.713 6 1 0 -4.04495758890374 1102628 CCOC1=CC=C(C=C1)CC2=C(NC3=C(C2=S)C=C(C=C3)C(=O)O)C 1 4.522 1 3 -12.1412703226471 1102623 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl 1 4.814 4 2 -17.4286287591937 1102481 CC1=CC(=C(C=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCOCC3)C(=O)C4=CC=CC=C4 1 2.213 4 4 0 -15.7153823245746 1102396 COC1=CC(=C(C=C1)OC)N(CC(=O)N2CCOCC2)S(=O)(=O)C 1 -0.133 2 6 0 -16.0785648820688 1102371 CCOC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 1.899 2 5 0 -13.9416019417053 1102323 COC1=CC=CC=C1N(CC(=O)NC2CCCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.425 2 4 -19.6738357944011 1102304 COC1=CC(=C(C=C1)N(CC(=O)NC2=CC=CC3=CC=CC=C32)S(=O)(=O)C)OC 1 2.459 2 5 0 -14.6589962315879 1102298 COC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)OC)OC)S(=O)(=O)C 1 1.534 2 6 0 -15.4941070453459 1102249 C1=CC(=CC(=C1)C(=O)NC2=NC=C(C=C2)Br)C(=O)NC3=NC=C(C=C3)Br 1 3.673 4 2 -8.36594663281996 1102246 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC(=C(C=C3Cl)F)F 1 2.691 4 2 -13.3977420549591 1102244 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)C4=CC=CO4 1 3.205 4 3 0 -16.3798897318683 1102237 COC1=CC=C(C=C1)CNC(=O)CSC2=NN=NN2C3=CC=CC=C3 1 2.427 5 2 0 -24.8558646013094 1102235 COC1=C(C=C(C=C1)CCNC(=O)NC2=CC(=C(C=C2Cl)F)F)OC 1 3.893 2 3 -10.6703463102151 1102227 COC1=C(C=C(C=C1)CCNC(=S)NC(=O)C2=CC=C(C=C2)Br)OC 1 4.531 2 3 -13.6782579137967 1102201 C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC=C(O3)C4=CC=C(C=C4)Br 1 4.404 2 4 -3.1496100391774 1102162 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NC=CS3 1 2.31 3 3 -19.2623446400816 1102157 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=CS3 1 0.416 3 4 0 -22.7774220419449 1102144 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 2.187 3 6 0 -22.7398355386531 1102139 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC=C(C=C3)Cl)Br 1 3.45 3 3 -14.6659824882771 1102035 C1CCCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CO4)C(F)(F)F 1 4.031 4 2 -10.7546835854773 1102034 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CO5)C(F)(F)F 1 4.287 5 2 0 -6.84340347872477 1102029 CN(C1CCCCC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CO4)C(F)(F)F 1 4.516 4 2 -11.1711167180328 1102016 C1CC2=CC=CC=C2N(C1)C(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CS5)C(F)(F)F 1 6.072 4 1 -12.2753925442255 1101984 C1=COC(=C1)CNC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CS4)C(F)(F)F 1 4.524 4 2 -14.8412036580416 1101941 C1CC2=CC=CC=C2N(C1)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CS5)C(F)(F)F 1 5.324 4 1 -16.6064372043816 1101933 C1=COC(=C1)CNC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CS4)C(F)(F)F 1 3.776 4 2 -18.5928622323444 1101915 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)Cl)[N+](=O)[O-])C 1 5.811 3 3 -0.288323069233776 1101900 CC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4 1 5.515 2 2 2.28179003419215 1101889 C1C2=CC=CC=C2C3=C1C=C(C=C3)C4=CSC(=N4)NC(=O)C5=CC=CC=C5 1 5.221 2 1 3.25764538131289 1101797 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=CS3 1 -0.107 4 4 0 -24.9399538126481 1101840 C1=CC(=CC=C1N/C=C(\C=O)/C2=NC3=C(O2)C=CC(=C3)Cl)S(=O)(=O)CCO 1 2.352 2 5 0 -2.74134138074531 1101821 CC1=CC=CC=C1N2C(=O)C3=C4C(=C(C=C3)N(C)CCO)C=CC=C4C2=O 1 3.456 2 3 -3.11570909061143 1101818 CN(CCO)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)C4=CC=CC=C4OC 1 2.953 2 4 -3.86308833628747 1101791 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)Br)Cl 1 2.832 2 4 -17.9678365703424 1101754 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=CS3 1 1.122 4 3 0 -22.9817710911983 1101752 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=CS3 1 1.646 3 3 0 -20.8192393204952 1101639 CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 3.226 2 4 -13.0975737161403 1101610 C1COCCN1C2=CC=C(C=C2)N=CC3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl 1 5.81 2 2 12.7488494240086 1101607 C1COCCN1C2=CC=C(C=C2)N=CC3=CC=C(O3)C4=CC=C(C=C4)Cl 1 5.145 2 2 11.034055172638 1101551 CC1=C(C(=NN1CC(=O)N(C)C2CCCCC2)C(F)(F)F)Br 1 3.868 3 1 -8.86669705983377 1101550 CC1=C(C(=NN1CC(=O)NCC2=CC=C(C=C2)OC)C(F)(F)F)Br 1 3.371 3 2 -12.994014221716 1101540 CC1=C(C(=NN1CC(=O)NC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-])Cl 1 2.326 4 5 0 -13.9745548607736 1101531 CC1=C(C(=NN1CC(=O)NCC2=CC=C(C=C2)OC)[N+](=O)[O-])Br 1 2.434 4 4 0 -16.1809840159588 1101504 COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F 1 4.254 2 3 4.62854531747578 1101443 C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)F)F 1 4.476 2 2 6.48271311336079 1101341 CC1=C(C=CC(=C1)OCC(=O)NCC2=CC=CC=C2OC)Br 1 3.675 1 3 -10.5560613503453 1101334 CC1=C(C=CC(=C1)OCC(=O)NC2=CC(=CC=C2)OC)Br 1 3.668 1 3 -4.37124790925614 1101318 CCOC(=O)CC1=CSC(=N1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.646 2 4 -6.76898156788813 1101317 CCOC(=O)CC1=CSC(=N1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.89 2 4 -7.62798509510171 1101312 CC1=CC=CC=C1OCC(=O)NC2=CC=NC=C2 1 1.785 2 2 0 -4.70611103677538 1101290 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O 1 2.473 2 4 -18.4944332391087 1101285 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O 1 2.281 2 4 -14.2723324806791 1101269 CCOC1=CC=C(C=C1)C=NNC(=O)CC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.645 3 3 -5.16717814391407 1101262 CC(=NNC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3=CC=C(O3)[N+](=O)[O-] 1 3.006 3 5 0 -8.46594141558877 1101260 COC1=CC=CC=C1OP(=O)(C)NC2=CC=CC=C2Br 1 3.106 1 3 2.73794644669699 1101259 COC1=CC=CC=C1OP(=O)(C)NC2=CC=C(C=C2)Br 1 3.106 1 3 3.83102802548412 1101257 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)Br 1 4.574 2 2 -8.45488363975539 1101229 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)N3CCOCC3 1 2.111 2 4 -12.6993820253839 1101219 CCCS(=O)(=O)C1=C2C(=CC=CN2C(=C1S(=O)(=O)CCC)C(=O)OC)N 1 1.859 2 6 0 -15.1121643250142 1101216 CCCS(=O)(=O)C1=C2C=CC(=CN2C(=C1S(=O)(=O)CCC)C(=O)OC)C(=O)C 1 2.346 1 7 0 -15.6533111710524 1101215 CCCS(=O)(=O)C1=C2C(=CC=CN2C(=C1S(=O)(=O)CCC)C(=O)N)C 1 2.239 2 5 0 -13.3568802636867 1101214 CCCS(=O)(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1S(=O)(=O)CCC)C(=O)N 1 2.661 2 5 0 -12.8869140319586 1101206 CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O 1 4.095 1 4 -5.86991906344996 1101194 CCOC(=O)C1=C(N2C(=CC(=N2)C3=CC=C(C=C3)Br)N=C1)C 1 3.285 3 2 -3.09112258116047 1101146 C1COCCN(CCOCCN1C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 1 2.988 2 6 0 -6.41354418905105 1101094 C1=CC=C(C=C1)C(=O)C(NC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 3.569 2 3 -10.1555570329676 1101093 CCOC(=O)N=S(=O)(C1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)[N+](=O)[O-] 1 4.846 2 6 0 -3.50864203567549 1101034 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 3.318 2 5 0 -13.0158796196279 1101021 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 4.14 2 4 -9.28553243099565 1100954 CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 5.378 2 3 -14.4051208083834 1100944 CC1=C(N2C=C(C=CC2=N1)Br)C(=O)NN=CC3=CC=CC=C3Cl 1 3.547 4 1 0.203713474244499 1100919 CC1=CC(=O)OC(=C1C(=O)OCC(=O)C2=CC(=C(C=C2)Cl)Cl)C 1 3.683 0 5 -12.8818045923588 1100915 CC1=CC=C(C=C1)CC(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.53 3 5 0 -11.8929130356429 1100907 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(O3)Br 1 3.951 1 4 -15.9215047794582 1100900 CCS(=O)(=O)C(=C(NC1=CC=C(C=C1)OC)NC2=CC=C(C=C2)OC)S(=O)(=O)CC 1 3.578 2 6 0 -3.78752489915896 1100894 CC1(C2=CC=CC=C2N([C@@]13C=NC4=C(O3)C=CC5=C4C=C(C=C5)OC)C)C 1 5.086 2 2 -10.2679082727982 1100869 CC(C)(C)NC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=CC=C3)C(F)(F)F 1 4.737 4 1 -11.7428335076387 1100830 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CC=C5)C(F)(F)F 1 4.144 5 2 0 -12.4181892897828 1100812 CCOC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=C(C=C3)OC)C(F)(F)F 1 4.785 3 3 -6.82640236527949 1100808 COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NCC4=CC=CO4 1 3.806 4 3 0 -15.7421879479028 1100807 COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NCCN4CCOCC4 1 2.867 5 3 0 -15.8558295282079 1100801 CC1=C(C(=NN1CC(=O)NCC2=CC=CO2)C(F)(F)F)Br 1 2.569 3 2 -14.7345346871144 1100770 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC(=O)C3=CC=C(C=C3)Br 1 3.072 1 4 -14.2463384941919 1100769 C1=CC(=NC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)C(=O)OCC(=O)C3=CC=C(C=C3)Br 1 5.255 1 6 0 -11.7939621665349 1100726 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C(=S)N3CCOCC3 1 3.738 1 6 0 -14.4623142383525 1100725 C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3 1 4.255 1 3 -9.36851219695362 1100718 C1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=C(C=C3)Br)/S2 1 4.074 2 1 -4.89550644868088 1100704 C1=CC=C(C=C1)CC(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 2.691 3 3 -11.7657313957688 1100701 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C 1 3.024 3 3 -13.2905562680203 1100700 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C 1 3.024 3 3 -14.1713570026418 1100699 CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.489 3 6 0 -18.2419828094436 1100694 CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.609 3 6 0 -12.1158277098768 1100693 CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.32 3 3 -5.76231201361199 1100692 CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 0.942 3 6 0 -12.1822282536349 1100660 C1=CC=C(C=C1)COC(=O)CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.858 1 3 -15.1323093651878 1100572 CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(=O)NN(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)O 1 5.555 2 3 -18.0918130821465 1100515 C1CCN(CC1)C(=O)/C(=C\C=C\C2=CC=CC=C2)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.48 3 4 0 -14.4582815907978 1100503 C1COCCN1C(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.782 3 5 0 -21.3809915151894 1100481 COC1=CC=C(C=C1)/C=C(\C(=O)NCC2=CC=CO2)/NC(=O)C3=CC=CC=C3 1 2.743 2 4 -20.4744220244799 1100462 C1=CC=C(C=C1)NC(=S)NN=CC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 5.185 4 3 0 -4.60355087971036 1100459 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])O 1 3.54 3 5 0 0.223804778149056 1100448 CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)N3CCCCC3 1 3.557 2 2 -17.8332907967002 1100442 C1CCCN(CC1)C(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CC=C3 1 3.527 2 2 -18.7263325907343 1100365 CN(C1=CC=CC=C1)NC(=O)C(C2=CC=CC=C2OC)(C3=CC=CC=C3OC)O 1 3.739 2 4 -9.83208476486027 1100360 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 2.989 2 4 -13.1695371981327 1100344 CCOC(=O)C1=CC2=C(CC(OC2)(C)C)N=C1NC(=S)NC3=CC=CC=C3 1 4.09 3 3 -16.0505139420191 1100270 CC1=CSC(=N)N1CC2=CC=CC=C2 1 2.154 2 0 -3.4387709621769 1100108 CCOC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)C 1 1.771 2 6 0 -23.7313826729655 1100085 CCOC1=CC=C(C=C1)N(CC(=O)NC2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)C 1 4.26 2 4 -16.603632477244 1100065 CCOC1=CC=CC=C1N(CC(=O)NC2=C(C=CC(=C2)OC)OC)S(=O)(=O)C 1 1.883 2 6 0 -18.942041444032 1100063 CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)/C=C(/C#N)\C(=O)NC 1 2.362 4 2 -14.1574410720821 1100062 CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)/C=C(\C#N)/C(=O)NC 1 2.362 4 2 -14.1574410720821 1100041 COC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C 1 2.509 2 4 -8.25132342002886 1100019 COC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)C 1 1.422 2 6 0 -19.5557213742838 1099967 COC1=CC=CC(=C1)NC(=O)CN(C2=CC(=CC=C2)OC)S(=O)(=O)C 1 1.55 2 5 0 -13.5098866067899 1099861 CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)CO)C 1 2.302 0 6 -3.22733305703776 1099830 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.304 4 5 0 -15.4764382369818 1099826 C1=CC=C(C=C1)CCNC(=O)CN2C=C(N=C2)[N+](=O)[O-] 1 1.321 4 3 0 -12.8644435248134 1099824 C1=CC(=C(N=C1)Cl)NC(=O)CN2C=C(N=C2)[N+](=O)[O-] 1 0.716 5 3 0 -6.96886543468247 1099823 C1=CC(=CC=C1CNC(=O)CN2C=C(N=C2)[N+](=O)[O-])F 1 1.205 4 3 0 -11.9293051064343 1099822 C1=CC(=CC=C1C#N)NC(=O)CN2C=C(N=C2)[N+](=O)[O-] 1 0.871 5 3 0 -8.8779948475757 1099821 C1=CC(=C(C=C1NC(=O)CN2C=C(N=C2)[N+](=O)[O-])Cl)F 1 1.862 4 3 0 -4.35379280645471 1099820 CCC1=CC=C(C=C1)NC(=O)CN2C=C(N=C2)[N+](=O)[O-] 1 1.935 4 3 0 -6.49169383368411 1099819 CC1=C(C=C(C=C1)NC(=O)CN2C=C(N=C2)[N+](=O)[O-])C 1 1.965 4 3 0 -6.50017051254514 1099762 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=C4C(=O)N5C6=CC=CC=C6N=C5S4 1 6.38 4 1 4.99613402180098 1099680 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.62 2 6 0 -20.2086626549203 1099676 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.865 1 7 0 -17.3508011704909 1099333 C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O 1 1.146 4 3 0 -6.03203852758644 1099325 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)S(=O)(=O)NC5=C(C=CC(=C5)C)C 1 6.413 2 4 -1.68002350110756 1099300 C1CCCN(CC1)C(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O 1 4.904 1 3 -5.69328377643892 1099299 C1CCN(C1)C(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O 1 3.992 1 3 -5.33881526227084 1099239 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)N(CC)CC 1 3.019 2 5 0 -7.42180773876505 1099238 CC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O 1 3.218 2 5 0 -11.0719430810353 1099236 C1COCCN1CCS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)CCN4CCOCC4 1 2.095 2 7 0 -7.18268011176855 1099228 CN(C)S(=O)(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)S(=O)(=O)N(C)C 1 1.726 2 4 0 -4.88962838490488 1099225 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=CC3=CC=CC=C32 1 2.877 3 3 -9.11520337617464 1099219 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3 1 1.426 2 4 0 -24.5721180545263 1099216 COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.403 2 5 0 -21.1872170871453 1099210 C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3O)O 1 2.618 2 5 0 -5.65923953252356 1099137 CN1C2=C(C=C(C=C2)/C=C(\C(=O)OC)/NC(=O)C3=CC=CC=C3)C4=CC=CC=C41 1 4.341 2 3 -8.8013900611443 1099100 CC1=NC(=C(C(=C1)COC)C#N)OCC(=O)NN=CC2=CC(=CC=C2)OC 1 1.856 4 4 0 -11.4792539760105 1099016 CCOC(=O)CN1C(=O)C2=C(N=C(N2C)N3CCOCC3)N(C1=O)C 1 -0.273 5 5 0 -11.1676167222834 1099011 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 1.896 3 3 0 -13.5703370439584 1099004 C1COCCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.083 2 4 -6.9635923041264 1098907 CC1=C(C=C(C=C1)C(=O)O)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O 1 3.357 2 6 0 -6.57016290246682 1098906 CC(=O)OC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O 1 3.009 2 6 0 -7.00355256303771 1098901 C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)Br 1 3.919 1 6 0 -17.2491591110363 1098899 C1=CC=C(C(=C1)C(=O)NC2=CNC(=O)NC2=O)Cl 1 0.141 3 3 0 -13.815163329524 1098895 CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2 1 2.137 3 2 -19.3436921792086 1098870 CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 3.502 2 3 -13.3696221298335 1098733 COC1=C(C=C(C=C1)C=NNC(=O)NC2=CC=CC3=NSN=C32)OC 1 2.686 5 3 0 -9.29716870272977 1098731 COC1=CC(=C(C=C1)C=NNC(=O)NC2=CC3=NSN=C3C=C2)OC 1 2.686 5 3 0 -0.205193533239506 1098730 COC1=CC(=C(C=C1)C=NNC(=O)NC2=CC=CC3=NSN=C32)OC 1 2.686 5 3 0 -4.50553078752199 1098729 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)NC2=CC=CC3=NSN=C32 1 2.67 5 4 0 -8.6872983283751 1098728 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC(=CC=C3)Cl 1 2.28 4 2 -10.2587813828228 1098651 COC1=CC=CC=C1NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC=C)O 1 3.351 2 4 -8.46629091544917 1098648 C=CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=C(C=C3)Cl 1 4.039 2 3 -6.23830068785657 1098647 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=C(C=C3)Cl 1 3.771 2 3 -1.49803577860895 1098643 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCC4=CC=CC=C4 1 1.37 5 3 0 -9.84776014344389 1098641 CCCN1C2=C(N=C1NN=C(C)/C=C/C3=CC=CC=C3)N(C(=O)NC2=O)C 1 2.528 6 2 0 -7.35992930796407 1098623 CC(=NNC(=O)C1=CC(=CC=C1)N2CCCC2=O)C3=CC=C(C=C3)Br 1 2.993 3 2 -18.3453365855956 1098620 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br 1 3.533 2 1 -0.638689271130438 1098617 C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NN=CC3=CC(=CC=C3)Br 1 3.013 3 2 -12.7532540342539 1098615 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)N3CCCC3=O 1 3.124 4 2 -21.5196069099246 1098605 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)N3CCCC3=O 1 2.427 4 2 -19.226221048666 1098592 C1=CC=C2C(=C1)C(=C(S2)C(=O)NNC(=O)NC3=CC=C(C=C3)Cl)Cl 1 4.261 3 2 1.09669505922118 1098523 CC(=O)N(C1=CC=C(C=C1)OC(=O)C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.983 1 5 -5.47101080151465 1098514 CC(=O)N(C1=CC(=C(C2=CC=CC=C21)OC(=O)C)Br)S(=O)(=O)C3=CC=CC=C3 1 3.732 1 5 -3.13613802156104 1098492 CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)C(=O)C 1 2.49 1 5 -8.89686670077448 1098488 CC(=O)C(C1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)C 1 2.277 2 6 0 -7.86106178168203 1098334 C1=CC=C2C=C(C(=CC2=C1)C(=O)NN=CC3=CC=CC=C3OCC(=O)O)O 1 2.814 2 5 0 -3.41720818527142 1098330 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CCC(=O)O 1 3.241 2 2 -5.04143855332039 1098329 CCN(CC)C(=O)N1CCN2C(=NC3=CC=CC=C32)C1 1 1.795 4 1 0 -6.47140535851646 1098321 C1C(=O)N(C(=O)CN1S(=O)(=O)C2=CC=CC=C2)CCC3=CC=CC=C3 1 1.587 2 4 0 -15.0960610689089 1098316 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)NS(=O)(=O)C5=CC=C(C=C5)C 1 5.228 3 5 0 8.47931890221348 1098277 C1CCN(CC1)CC(=O)NNC2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4 1 3.949 5 1 8.10333786588666 1098169 CC1(CC2=CC=CC=C2C(=N1)NN=CC3=CC(=C(C(=C3)OC)OC)OC)C 1 3.551 3 3 -4.72518111623882 1098166 CC1=C(C=C2C(=C1)CC(N=C2NNC(=O)C3=CC=C(C=C3)OC)(C)C)C 1 3.745 3 2 -3.04281478686604 1098165 CC1=C(C=C2C(=C1)CC(N=C2NNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)(C)C)C 1 3.712 3 4 0 -6.73789533150539 1098161 CN1C(=CC(=N1)C(=O)NC2=CC=CC=C2OC)C(=O)NC3=CC=CC=C3OC 1 2.736 4 4 0 -11.1500519547902 1098160 CN1C(=CC(=N1)C(=O)NC2=CC(=CC=C2)Cl)C(=O)NC3=CC(=CC=C3)Cl 1 4.097 4 2 -5.09961564952859 1098144 C1COCCN1CC2=CC(=CC(=C2O)CN3CCOCC3)C4=CC=CC=C4 1 2.629 2 3 4.18506565011523 1098125 CCOC1=CC=C(C=C1)N(CC(=O)NC2CCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.317 2 4 -17.1451736023121 1097976 CC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C=NNC(=O)CSCC3=CC=CC=C3 1 4.19 3 3 -13.5131677374916 1097953 CCC1=CC=CC=C1N(CC(=O)N2CCCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.648 2 3 -16.873714850697 1097952 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)OCC)S(=O)(=O)C 1 2.12 2 6 0 -20.5059785029654 1097871 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CNC4=CC=C(C=C4)C(=O)O 1 4.35 3 2 -6.23972246279223 1097865 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C=N3)C4=CC=C(C=C4)OC 1 4.085 3 3 0.814265971968618 1097863 C1COCCN1CCN2C3=CC=CC=C3N=C2NCC4=CC5=C(C=C4)OCO5 1 2.607 4 3 0 -7.50822142762524 1097852 C1COCCN1CCN2C3=CC=CC=C3N(C2=N)CCOC4=CC=CC=C4 1 2.617 4 2 -4.3533548795961 1097849 CCC(=NNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C)C 1 2.095 6 2 0 -12.6192911692348 1097838 CC1=CC(=NC2=C(C=NN12)C(=O)NCCC3=CC=CC=C3)C 1 1.781 4 1 0 -15.8862569122726 1097831 CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC(=C(C=C3OC)Cl)OC)C 1 2.084 4 3 0 -18.5061661550427 1097830 CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC(=C(C=C3)OC)OC)C 1 1.42 4 3 0 -17.8564601257969 1097826 CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC4=C(C=C3)OCO4)C 1 1.221 4 3 0 -15.4829109420258 1097825 CC1=CC(=NC2=C(C=NN12)C(=O)NCC3=CC=C(C=C3)Cl)C 1 2.124 4 1 -13.9743608771108 1097823 CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC(=CC=C3)O)C 1 1.211 4 2 0 -9.99457854228232 1097821 CC1=CC(=NC2=C(C=NN12)C(=O)NC3CCCCC3)C 1 1.734 4 1 0 -14.9570768393493 1097818 CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC=CC=C3C(=O)OC)C 1 1.308 4 3 0 -19.1929503226135 1097809 CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC(=CC=C3)Cl)C 1 2.117 4 1 -9.77747212005852 1097808 CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C 1 2.781 4 1 -10.9062526835505 1097795 C1CCSC(=NC1)N(C2=CC=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4 1 5.344 3 1 -8.51664314045491 1097794 C1CCSC(=NC1)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br 1 5.276 2 1 -9.00153054828563 1097769 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCOCC3 1 1.905 2 4 0 -8.5053296603422 1097759 CC1=C(C(=CC=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C 1 4.777 1 4 -1.93726279337093 1097735 C1CN(CCN1C2=NC=NC3=C2C=NN3CC4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6 1 4.917 6 0 -4.01085682479239 1097667 C1CC2=C(C1)NN=C2C(=O)NN=C/C(=C/C3=CC=CC=C3)/Br 1 3.295 4 1 -13.2440941791124 1097666 C1CC2=C(C1)NN=C2C(=O)NN=C/C(=C\C3=CC=CC=C3)/Br 1 3.295 4 1 -13.2440941791124 1097656 CC1(CC2=C3C(=C(SC3=NC(=C2CO1)N4CCOCC4)C(=O)N)N)C 1 1.137 4 3 0 -13.0040810868768 1097635 C1C2(CN(CN1CN(C2)CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-] 1 3.361 4 2 -0.788601693980519 1097626 C1=CC2=C(C=C1S(=O)(=O)N(CCCl)CCCl)C(=CN2)C(=O)O 1 2.2 2 4 -14.152377820254 1097624 CC(=O)N1CC2(CN(C1)CN(C2)C(=O)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 -0.107 4 5 0 -7.93269985607179 1097565 C1=CC=C(C=C1)C(=O)NC(=C(Cl)Cl)S(=O)(=O)C2=CC=C(C=C2)Cl 1 4.311 1 3 -7.05725599084097 1097538 COC1=CC=C(C=C1)/C=C(\C(=O)N2CCCCC2)/NC(=O)C3=CC=CC=C3 1 3.101 2 3 -18.7549672376257 1097484 C1=CC=C(C=C1)C(=O)NCSC2=NC(=NC=C2)SCNC(=O)C3=CC=CC=C3 1 3.873 4 2 -9.09059566084637 1097405 COC1=CC(=C(C=C1)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C5=CC=CC=C5)OC 1 5.177 4 3 0 -11.0178200726232 1097311 COC1=CC(=C(C=C1)NC(=O)COC2=CC=C(C=C2)Br)OC 1 3.165 1 4 -8.71429387987417 1097251 C1CC(=NNC(=O)C2=CC=CC=N2)CCC1=NNC(=O)C3=CC=CC=N3 1 0.635 6 2 0 -9.62647108961363 1097248 C1CC(=NNC(=O)C2=CN=CC=C2)CCC1=NNC(=O)C3=CN=CC=C3 1 -0.222 6 2 0 -9.19888859258405 1097214 CCOC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C 1 2.417 4 4 0 -19.310001256824 1097196 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 2.223 1 5 -21.2900568394484 1097192 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] 1 2.089 2 6 0 -14.9740623410777 1097181 COC1=CC=C(C=C1)C2(CCCC2)CNC(=O)CC3=CC(=C(C=C3)OC)OC 1 4.062 1 4 -21.0263995714386 1097176 COC1=C(C=C(C=C1)C2(CCOCC2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC 1 2.624 2 6 0 -24.14239671027 1097136 CC1=CC=C(C=C1)S(=O)(=O)N2CC3(CN(CC(C2)(C3=O)C)S(=O)(=O)C4=CC=C(C=C4)C)C 1 2.924 2 5 0 -12.8318509868968 1097059 CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)C(=O)NC3=C(C=C(C=C3)C)C(=O)O)C(=O)O 1 3.631 2 6 0 -9.59948873623448 1097045 CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 1 2.261 2 3 -10.1855990273417 1097040 C1=CC(=CC(=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)C6=CC=CC(=C6)C(=O)O)C2=O)C(=O)O 1 3.215 2 8 0 -7.93638400987387 1097007 CC1=CC(=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)OC5=CC=CC=C5[N+](=O)[O-])C=CC=C4C2=O)C 1 5.774 2 5 0 -2.93942751237094 1096980 C1COCCN1C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3Br 1 4.443 2 3 -11.668063655777 1096969 CN(C1=CC=CC=C1)C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3 1 5.679 2 2 -8.1693827710157 1096905 CC1=NN=C(S1)NCC2=CC=CO2 1 0.666 3 1 0 -5.98421675389258 1096904 CC1=CC=C(O1)CN2C(=C(C=N2)C)N 1 1.254 3 1 0 -2.55165486180891 1096900 CC1=C(N(N=C1)CC2=CN=CC=C2)N 1 0.776 4 0 0 -3.90439840910783 1096899 C1=CC(=CN=C1)CN2C(=CC=N2)N 1 0.29 4 0 0 -7.02816896934599 1096898 C1=CN=CC=C1CN2C(=CC=N2)N 1 0.29 4 0 0 -6.82532788272728 1096895 C1=C(C=NC2=C(C(=NN21)C(=O)O)Cl)CCO 1 0.542 3 3 0 -2.69421726447204 1096891 CCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.731 2 3 -9.36166310723022 1096877 C1CCC(C1)NC(=O)C2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.655 2 2 -6.22247752014923 1096819 CC1=CC=C(C=C1)NC2=NC(=CS2)C(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4 1 3.332 4 2 -9.08095023045852 1096818 CC1=CC=C(C=C1)NC2=NC(=CS2)C(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)OC 1 3.316 4 3 0 -8.67910153482307 1096816 CC1=CC=C(C=C1)NC2=NC(=CS2)C(=O)N3CCC(CC3)C(=O)NC(C)C 1 2.475 4 2 -11.4486448465135 1096812 CC1=CC=C(C=C1)C2=CN=C(N2C)NC(=O)CCC(=O)N(C)CC3=CC=CC=C3 1 3.094 4 2 -10.7207483939574 1096807 COC1=CC=C(C=C1)NC2=NC(=CS2)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC 1 3.191 3 4 0 -11.003494565754 1096805 COC1=CC=C(C=C1)NC2=NC(=CS2)C(=O)N(CCO)CC3=CC=CC=C3 1 2.61 3 3 -4.56012101056483 1096740 C1CCN(C1)C(=O)C2=CSC(=N2)NC3=CC=CC4=CC=CC=C43 1 2.952 3 1 -3.04918108372501 1096735 COC1=CC=C(C=C1)NC2=NC(=CS2)C(=O)N3CCC4=CC=CC=C4C3 1 3.224 3 2 -7.7738832146168 1096729 COC1=CC=C(C=C1)NC2=NC(=CS2)C(=O)NCC3=CC=CO3 1 2.125 3 3 -6.74691900577961 1096545 CC1=C(C=C(C=C1)C2=CN=C(N2C)NCC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C 1 3.829 4 4 0 -0.27661770851568 1096519 CN1C(=CN=C1NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=C(C=C4)OC 1 2.84 4 5 0 -1.58669588752108 1096496 CN1C(=CN=C1NCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)F 1 3.294 4 2 -2.14840905989139 1096495 CN1C(=CN=C1NCC2=CC(=CC=C2)F)C3=CC=C(C=C3)F 1 3.605 3 0 2.17672175754057 1096493 CN1C(=CN=C1NCC2=C(C=C(C=C2)F)F)C3=CC=C(C=C3)F 1 3.81 3 0 1.85650362942098 1096489 CN1C(=CN=C1NCC2=CC=C(C=C2)F)C3=CC=C(C=C3)F 1 3.605 3 0 0.695171356025984 1096475 CN1C(=CN=C1NCC2=CC=CC=C2O)C3=CC(=CC=C3)Br 1 3.7 3 1 6.12802458240779 1096467 CN1C(=CN=C1NCC2=CN=CC=C2)C3=CC=C(C=C3)Br 1 2.792 4 0 -1.39824119970518 1096463 CN1C(=CN=C1NCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 3.088 4 2 -3.43219672819662 1096462 CN1C(=CN=C1NCC2=CC=CC=C2)C3=CC=CC=C3 1 3.194 3 0 -0.772749510364755 1096460 CN1C(=CN=C1NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4 1 2.856 4 4 0 -1.64824609469214 1096458 CN1C(=CN=C1NCC2=CC=C(C=C2)OC)C3=CC=CC=C3 1 3.177 3 1 -7.78693526810549e-002 1096453 CN1C(=CN=C1NCC2=C(C=CC(=C2)Cl)O)C3=CC=CC=C3 1 3.616 3 1 7.52293633574058 1096451 CN1C(=CN=C1NCC2=CC(=CC=C2)OC)C3=CC=CC=C3 1 3.177 3 1 -0.184024720811333 1096450 CCOC1=CC=C(C=C1)CNC2=NC=C(N2C)C3=CC=CC=C3 1 3.526 3 1 -0.844092504389077 1096449 CC1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)C=O 1 3.191 2 1 0.620003874066265 1096408 CC1=CN(C(=O)C=C1)CC(=O)O 1 -0.191 1 3 0 -8.73668654744991 1096407 C1CCN(C1)CC2=CC(=CC=C2)N 1 1.618 2 0 0 4.1751444475361 1096391 C1CC1C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)O 1 1.655 3 2 0 -10.3183313851543 1096386 CC1=C(N(N=C1C)CCC(=O)O)C 1 1.123 2 2 0 -8.02899647126367 1096383 CN1C2=C(C=C(C=C2)NC(=O)CCl)N(C1=O)C 1 0.757 3 2 0 -12.2400270797678 1096354 C1CCC(C1)CCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3 1 2.542 2 3 -22.366577624694 1096345 CC1=C(N(C2=CC=CC=C12)CCC(=O)O)C 1 2.69 1 2 -3.3687334435751 1096329 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC=NN2C3=CC=CC=C3 1 2.212 5 2 0 -14.0423391373524 1096325 CC1=CC(=NO1)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3Cl 1 2.652 4 3 0 -20.6134135930792 1096316 C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)NC3=CC=C(C=C3)CC#N 1 2.096 3 3 -6.02985613467503 1096315 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32 1 2.011 3 4 0 -12.9080633615745 1096314 CC(C)(C)C1=NN=C(S1)NC(=O)CCN2C=NC3=CC=CC=C3C2=O 1 2.122 5 2 0 -10.9135950197587 1096313 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O 1 1.419 4 4 0 -21.2281123724889 1096310 C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CN3C=NC4=CC=CC=C4C3=O 1 2.733 5 2 0 -21.605471698289 1096303 COC1=CC(=C(C=C1)OC)NC(=O)CN2C3=CC=CC=C3OC2=O 1 2.149 2 5 0 -7.36344067844647 1096301 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43 1 2.23 3 4 0 -17.2340563972977 1096298 CCC1=CC(=C(S1)NC2=NS(=O)(=O)C3=CC=CC=C32)C(=O)N4CCOCC4 1 1.897 3 4 0 -14.3258932223711 1096294 CCN1C(=NN=C1SCC(=O)OCC)CN2N=C(N=N2)C3=CC=CC=C3 1 2.34 7 2 0 -14.2896948301314 1096286 CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC(=C(C=C3)Cl)Cl)C 1 4.486 4 1 -13.087227415124 1096285 CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=C(C(=CC=C3)Cl)Cl)C 1 4.486 4 1 -12.1080709966912 1096252 CC1(CC2=C3C(=C(SC3=NC(=C2CO1)N4CCOCC4)C5=CC=C(O5)C(=O)NC)N)C 1 2.548 4 4 0 -14.6851309864765 1096231 COC1=C(C=C(C=C1)/C=C(\C(=O)N2CCCCCC2)/NC(=O)C3=CC=CO3)OC 1 2.936 2 5 0 -21.3778981063765 1096080 CC1=CC=C(C2=NSN=C12)S(=O)(=O)N3CCCCC3 1 2.478 3 2 -10.3790032541032 1096078 COC1=C2C=CC=NC2=C(C=C1)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.396 2 3 -3.32497462090436 1096077 CCOC(=O)C1=CC=C(O1)CNS(=O)(=O)C2=C(C=CC3=NSN=C32)C 1 2.616 3 5 0 -6.18900404785696 1096075 CCNC1=NC(=NC(=N1)N2CCCC2)NC(C)(C)C 1 1.464 6 0 0 -6.66123551603947 1096074 CC(C)(C)NC1=NC(=NC(=N1)NC2=C(C=C(C=C2)OC)OC)N3CCOCC3 1 1.886 6 3 0 -9.8263639733182 1096073 CCNC1=NC(=NC(=N1)N2CCCC2)N3CCCC3 1 1.2 6 0 0 -1.3354122400795 1096072 CC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=NC(=NS3)CC(=O)C 1 2.877 3 4 0 -6.95701454849465 1096071 CC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.846 2 5 0 -10.1454304309768 1096070 C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N 1 2.36 2 5 0 -10.6336644429456 1096069 CC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)NC(=O)C 1 3.261 2 4 -7.66495213389013 1096064 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CSC3=NC=CC=N3 1 3.465 3 2 -13.3317747193834 1096060 CN(C1=CC=C(C=C1)C(=O)N2CCCCC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.822 2 5 0 -18.1201803103385 1096059 COC1=CC=CC(=C1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 1.335 2 6 0 -13.7336829996056 1096045 C1CC1C(=O)C2=CN(C3=CC=CC=C32)CC(=O)NC4=CC=CC=C4Cl 1 4.127 2 2 -11.6049298771431 1096031 C1CC1C(=O)C2=CN(C3=CC=CC=C32)CC(=O)NC4=CC=C(C=C4)F 1 3.668 2 2 -10.7253041260916 1096013 C1=CC=C(C=C1)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)O 1 3.215 1 3 -7.67244187090549 1095920 C1CCC2(CC1)NC(=O)C(=C(N2C3=CC=C(C=C3)Cl)S)C#N 1 4.054 3 1 -0.302763802338922 1095869 CCC1=NN=C2N1N=C(S2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 1 4.514 5 0 -3.74634332441678 1095868 CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)Cl)C 1 3.821 4 1 -12.6493311545039 1095857 CN1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 1.783 6 1 0 -14.4627270542372 1095851 C1COCCN1C(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl 1 1.789 4 3 0 -23.1770054443225 1095833 C1CCC(CC1)C2=NC3=CC=CC=C3C(=O)N2N 1 2.463 3 1 -5.09466723064355 1095831 CC1=CC(=NC(=N1)SC)SCC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 4.442 3 1 -8.05888207864678 1095818 CCN1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=C(C=CC(=C2)C)OC 1 0.988 3 4 0 -9.40755332364465 1095816 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.295 3 5 0 -6.53214962687765 1095815 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 2.295 3 5 0 -7.94731233468047 1095813 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.311 3 4 0 -6.54925946178518 1095811 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)C 1 0.639 3 4 0 -7.80089742019378 1095810 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)N2CCCCCC2 1 2.055 2 4 -10.5579337950625 1095809 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)N2CCC(CC2)C(=O)N 1 0.156 3 5 0 -10.4493522786961 1095808 CC1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=C(C=CC(=C2)C)OC 1 1.851 2 4 0 -13.247043398967 1095807 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.839 2 6 0 -14.2089396944888 1095805 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)NCC2=CC=NC=C2 1 0.909 3 4 0 -14.0098411813272 1095804 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)NCC2=CC=CC=N2 1 1.124 3 4 0 -15.6905903239989 1095630 CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C=NNC(=O)COC3=NC(=C(C(=C3C#N)COC)Br)C 1 3.682 6 5 0 -12.9422326553856 1095474 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC(=O)C(=C(N3)N)C4=CC=CC=C4 1 3.086 4 2 -14.7305831784823 1095473 C1CN(C2=CC=CC=C21)C(=O)CSC3=NC(=O)C(=C(N3)N)C4=CC=CC=C4 1 2.63 4 2 -16.2599535053906 1095470 C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=O)C(=C(N3)N)C4=CC=CC=C4 1 2.637 4 2 -16.3972150108788 1095469 C1=CC=C2C(=C1)C(=CN2CC(=O)O)C(=O)C3=CC=CC=C3F 1 3.42 1 3 -7.75657638953735 1095467 CC(C)(C)NC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3F 1 3.93 2 2 -14.9243097094427 1095466 COC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3F 1 3.646 1 3 -7.93769342730345 1095462 C1CCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4F 1 3.665 2 2 -11.139829894949 1095461 C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4F 1 2.892 2 3 -13.0625948588926 1095460 C1=CC=C2C(=C1)C(=CN2CC(=O)N)C(=O)C3=CC=CC=C3F 1 2.792 2 2 -6.95216883487423 1095459 CC(C)(C)C(=O)C1=CN(C2=CC=CC=C21)CC(=O)O 1 3.097 1 3 -10.8062270428151 1095456 CC(C)(C)C(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 4.027 2 4 -20.0262094630383 1095442 CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CN=CC=C3 1 1.561 3 2 0 -19.9367538645478 1095440 CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCCC3=CNC4=CC=CC=C43 1 3.327 3 2 -20.9919296976062 1095435 CS(=O)(=O)N(CC(=O)N1CCCC1)C2=C(C=C(C=C2)Cl)Cl 1 2.002 2 3 -11.3194090291222 1095434 CN(C1=CC=C(C=C1)C(=O)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.382 2 4 -11.1895832705844 1095430 CN(C1=CC=C(C=C1)C(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 1.608 2 5 0 -13.1123482345281 1095399 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Br 1 4.48 2 3 -7.48678668881794 1095375 CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Br 1 3.589 2 4 -7.82834515109581 1095342 C1COCCN1CCNC2=NC(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4 1 2.497 7 1 0 -3.03150650010668 1095341 COC1=CC(=C(C=C1)NC2=NC(=NC(=N2)Cl)NCC3=CC=CO3)OC 1 2.824 5 3 0 -4.43056055450031 1095335 CC(C)(CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4 1 4.615 3 2 -12.8907864291796 1095334 COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl)OC 1 3.68 3 3 -16.7313092371437 1095326 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=NNC(=O)CC(=O)NC3CCCCC3 1 4.097 4 2 -7.23491758334074 1095286 CC1=C(C=C(C=C1)Cl)N(CC(=O)NCC2=CC=CC=C2)S(=O)(=O)C 1 2.74 2 3 -16.1159051485741 1095269 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC)C2=C(C=CC(=C2)C)OC 1 2.539 2 4 -14.6009865958528 1095254 CCOC1=CC=CC=C1N(CC(=O)NC2=CC=CC3=CC=CC=C32)S(=O)(=O)C 1 2.824 2 4 -17.6714151631672 1095219 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCOCC2)C3=CC=C(C=C3)Br 1 2.711 2 4 -14.5512925316209 1095202 CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)CC(=O)NC3CCCCC3)C 1 3.765 4 3 0 -10.2361056347797 1095188 CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.985 2 4 -18.3078283445662 1095186 CS(=O)(=O)N(CC(=O)NCC1=CC=CC=C1)C2=CC=C(C=C2)Cl 1 2.254 2 3 -15.0155916738166 1095178 COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)OC 1 4.313 2 3 -11.3751026500251 1095142 C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC(=C2)C(F)(F)F 1 2.947 1 4 -8.48925814824563 1095124 CCC1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)OC)S(=O)(=O)C 1 2.509 2 4 -14.6362890878342 1095117 CC1=CC=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C 1 0.386 2 4 0 -14.6255828577957 1095108 CC1=C(C=C(C=C1)N(CC(=O)N(C)CC2=CC=CC=C2)S(=O)(=O)C)C 1 2.768 2 3 -13.2589737085907 1095106 CC1=C(C=CC=C1Cl)N(CC(=O)NC2CCCCC2)S(=O)(=O)C 1 3.015 2 3 -15.2913001969245 1095103 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)OC)OC 1 1.405 2 5 0 -10.989606117563 1095086 C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)Br 1 4.495 4 0 3.86161490464814e-002 1095079 CC(=NNC(=O)CNC1=CC=CC2=CC=CC=C21)C3=CC=C(S3)Br 1 3.754 3 1 -8.06630365331131 1095028 C1CCN(CC1)C2=CC=C(C3=NON=C23)N 1 1.732 4 1 0 2.11309408966733 1095027 C1COCCN1C2=CC=C(C3=NON=C23)N 1 0.503 4 2 0 0.524007966954562 1095016 C1CCN(C1)C(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O 1 2.643 1 3 -7.48146509181538 1095014 CN(C)S(=O)(=O)N1CCN(CC1)CC(=O)NC2=CC=C(C=C2)OC 1 -0.462 4 4 0 -21.3682052637968 1095013 CN(C)S(=O)(=O)N1CCN(CC1)CC(=O)NC2=CC=C(C=C2)Br 1 0.303 4 3 0 -20.5899001091672 1095012 CCN(CC)S(=O)(=O)N1CCN(CC1)S(=O)(=O)N2CCOCC2 1 -2.055 4 5 0 -20.1975119528824 1094981 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)N3CCOCC3 1 0.484 3 3 0 -8.45499493752033 1094980 C1COCCN1S(=O)(=O)N2C3=CC=CC=C3N=C2CC4=CC=CC=C4 1 2.364 3 3 -5.61230349222126 1094979 C1CN(CCN1C(=O)C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.987 2 3 0 -22.4532830634128 1094976 C1CN(CCN1C(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)F 1 0.258 3 4 0 -18.7251112973787 1094975 CN(C)S(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F 1 -0.249 3 4 0 -23.9578847860375 1094974 CN(C)S(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 0.454 3 4 0 -22.6454037166686 1094973 CN(C)C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.274 3 3 0 -19.7836794387136 1094923 CCOC1=CC(=C(C=C1Cl)S(=O)(=O)NCC2=CC=CC=N2)Cl 1 3.05 2 3 -6.35636368708042 1094925 CCOC1=C(C(=C(C=C1C)S(=O)(=O)NCC2=CC=CC=N2)C)C 1 3.18 2 3 -6.07684077314122 1094927 CCOC1=CC(=C(C=C1Cl)S(=O)(=O)NCC2=CN=CC=C2)Cl 1 2.835 2 3 -5.95504608017056 1094928 CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2)C 1 1.992 2 3 0 -5.12502449171545 1094929 CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2)C(C)C 1 2.7 2 3 -4.51354874305154 1094930 CCOC1=C(C(=C(C=C1C)S(=O)(=O)NCC2=CN=CC=C2)C)C 1 2.964 2 3 -5.67552316623136 1094932 CC1=C(C=CC(=C1C)S(=O)(=O)N2C=CN=C2C)OC 1 2.291 2 3 -2.64014764497511 1094933 CCC1=NC=CN1S(=O)(=O)C2=C(C(=C(C=C2)OC)C)C 1 2.958 2 3 -4.12746387127042 1094936 CCC1=NC(=CN1S(=O)(=O)C2=C(C=CC(=C2)F)OC)C 1 2.473 2 3 -6.49293066083903 1094937 CCOC1=C(C=CC(=C1)S(=O)(=O)N2C=C(N=C2)C)Cl 1 2.353 2 3 -8.57833740529581 1094938 CC1=C(C=CC(=C1C)S(=O)(=O)N2C(=NC=C2[N+](=O)[O-])C)OC 1 2.31 3 5 0 -4.89913730332766 1094970 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F 1 1.713 3 2 0 -6.63547789502178 1094968 CCN(CC)C(=O)N1CCN(CC1)C(=O)N2CCOCC2 1 -0.415 4 3 0 -11.3698169056557 1094965 C1CN(CCN1C(=O)C2=CC(=CC=C2)Br)C(=O)N3CCOCC3 1 1.098 3 3 0 -6.39601309806455 1094962 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)N3CCOCC3 1 4.6e-002 4 4 0 -9.09502082633904 1094961 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)Br)C(=O)N3CCOCC3 1 0.811 4 3 0 -8.31671567170952 1094960 C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)Cl)Cl)C(=O)N3CCOCC3 1 1.391 4 3 0 -6.77737409265412 1094957 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)Br)C(=O)C3=CC=CO3 1 1.981 3 3 0 -6.62894025514728 1094956 CC1=CC(=C(C(=C1)C)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)OC)C 1 4.028 3 2 -3.34258051974777 1094945 CC1=CC(=C(C=C1Cl)S(=O)(=O)N2C=NC3=CC=CC=C32)OC 1 3.837 2 3 -4.19811194742311 1094911 CN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=CC=CC=C4F)C=CC=C3C1=O 1 2.592 2 3 -6.27242633012052 1094909 CN1C2=C3C(=C(C=C2)S(=O)(=O)NCCC4=CC=CC=C4)C=CC=C3C1=O 1 2.714 2 3 -8.2290706720775 1094907 CN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=CC(=C(C=C4)O)C(=O)O)C=CC=C3C1=O 1 1.774 2 6 0 -4.35920828654269 1094906 CN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=CC=CC=N4)C=CC=C3C1=O 1 1.775 3 3 0 -6.04143227557023 1094903 CCN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=CC=CC=C4O)C=CC=C3C1=O 1 2.493 2 4 -4.43053298527821 1094897 CN1C2=C3C(=C(C=C2)S(=O)(=O)N(C)C)C=CC=C3C1=O 1 1.016 2 3 0 -7.56250827543175 1094896 CNS(=O)(=O)C1=C2C=CC=C3C2=C(C=C1)N(C3=O)C 1 0.81 2 3 0 -9.43507043069032 1094895 CN1C2=C3C(=C(C=C2)S(=O)(=O)N)C=CC=C3C1=O 1 0.604 2 3 0 -6.44595667823801 1094893 CC1(CC2=C(C(=O)C1)C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O)C 1 3.1 1 6 0 -14.0961263276274 1094891 CCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)C 1 2.6 1 7 0 -11.6361873973211 1094890 CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)C(=O)C 1 2.136 1 6 0 -10.4492282083704 1094889 CC(=O)N(C1=CC2=C(C=C1)OC(=O)S2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.209 2 5 0 -9.501782974542 1094888 C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC4=C(C=C3)OC(=O)S4)N=CC=C2 1 3.219 2 4 -4.47903215246076 1094887 C1CC2=C(C(=O)C1)C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5 1 3.199 2 4 -13.3148795510831 1094884 CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC3=C(C=C2)OC(=C3C(=O)C)C 1 3.198 1 4 -6.32108701679114 1094882 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 1 0.273 5 4 0 -23.1999782335306 1094879 CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3 1 3.187 4 3 0 -1.08393883271287 1094878 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3 1 2.982 4 3 0 -3.43504890188588 1094873 CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)OC)OC)C(=O)C 1 2.473 1 6 0 -10.2952483169711 1094871 C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=C(C=C(C=C3)Cl)Cl 1 2.232 5 1 0.402550137266785 1094870 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 2.871 5 2 0 -9.1453967458409 1094869 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 2.412 5 2 0 -8.35891123607061 1094868 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 2.206 5 2 0 -5.35426118184835 1094867 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4 1 1.542 5 2 0 -4.79122491756303 1094866 C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=CC=CC=C43 1 3.019 3 2 -17.0926283253285 1094865 C1=CC(=CC(=C1)Cl)NC(=O)NCCC2=CC=NC=C2 1 2.364 3 1 -3.40707702059535 1094864 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.403 3 3 -4.58378841261753 1094863 C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F 1 1.314 5 1 0 -1.11990178501855 1094858 CCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)CC3=C(NC4=CC=CC=C43)C 1 3.056 5 2 0 -19.5856568909828 1094857 CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CC3=C(NC4=CC=CC=C43)C 1 3.874 5 1 -18.3180038917075 1094856 CC1=C(C2=CC=CC=C2N1)CC3=NN=C(N3CC=C)SCC(=O)NCC4=CC=C(C=C4)F 1 4.347 5 1 -19.7065638658354 1094854 C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=NC4=CC=CC=C4C=C3 1 3.465 5 2 0 -20.1385164068413 1094803 COC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3NC2=O)Br 1 2.892 2 5 0 -21.9390520233096 1094797 C1=CC(=C(C=C1Cl)Cl)COC(=O)C2=CC=NC=C2 1 3.447 1 2 -0.65193776334385 1094796 C1=CC(=CC=C1COC(=O)C2=CC=NC=C2)Br 1 2.866 1 2 -3.16188375781695 1094794 CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N=C2OCC(=O)C4=CC5=CC=CC=C5C=C4 1 5.048 3 3 -2.12926870177805 1094770 COC1=C(C=CC(=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC=C(C=C3)F)C(=O)OC)O 1 2.911 1 6 0 -7.39671606203256 1094686 COC1=C(C=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC=CC=C3F)C(=O)OC)OC 1 3.136 1 6 0 -12.46961008902 1094685 COC1=C(C=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC=C(C=C3)O)C(=O)OC)OC 1 2.689 1 7 0 -11.425469467321 1094619 COC1=C(C=CC(=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC=CC=C3)C(=O)OC)O 1 2.705 1 6 0 -8.92340799227741 1094573 COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)C4CCCCC4 1 3.006 1 6 0 -13.3641183569052 1094572 COC1=CC=C(C=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC(=CC=C3)F)C(=O)OC 1 3.241 1 5 -10.4159836183357 1094429 COC1=C(C=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC=C(C=C3)F)C(=O)OC)OC 1 3.136 1 6 0 -12.5934665529949 1094423 COC1=C(C=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC(=CC=C3)F)C(=O)OC)OC 1 3.136 1 6 0 -13.5613927161135 1094331 CCC(=O)NC1=C(C(=C(S1)C(=O)NC2CCCC2)C)C(=O)OCC 1 2.995 2 4 -17.6598283916986 1094329 CCOC(=O)C1=C(SC(=C1C)C(=O)NC2CCCC2)NC(=O)CC3=CC=CS3 1 3.981 2 4 -21.4957581360366 1094311 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CS3 1 1.737 3 3 0 -16.8951680084596 1094309 C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC4=CC=CC=C4O3 1 3.724 2 3 1.43214085517953 1094294 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCCO4 1 1.57 3 5 0 -19.9123639697231 1094291 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC 1 1.507 3 5 0 -18.6897034928491 1094290 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3Cl 1 2.188 3 4 0 -18.7115977066935 1094288 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 1.642 3 3 0 -18.4383717772807 1094287 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 1.894 3 3 0 -17.0985451274704 1094286 CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC=N4 1 3.431 3 3 1.33788917668002 1094283 CC(=O)C1=C(C2=C(C=CC(=C2)Cl)N(C1=O)C)C3=CC=CC=C3 1 3.291 1 2 1.71398944774928 1094282 C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)N)N)C#N 1 2.161 5 0 -8.498632091318 1094276 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)C3=CC=NC=C3 1 0.891 6 1 0 -12.7655443475321 1094275 CN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=NC=C3 1 3.589 4 0 -5.63720332982496 1094274 CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=NC=C4 1 2.152 6 1 0 -8.32201214962184 1094264 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4O3 1 3.334 3 2 -4.36700535517811 1094259 COC(=O)CN1C2=CC=CC=C2N=C1CC3=CC=CC=C3 1 3.218 2 2 -5.89901436482901 1094235 C1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)Cl)C(=O)C3=CC=CO3 1 2.684 2 4 -5.49696605823891 1094227 CC(C)(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)OC3=CC=C(C=C3)Cl 1 2.816 2 4 -3.04650091779506 1094216 CC1=NC(=NC=C1)NC(=O)CC2=CC=C(C=C2)F 1 1.879 3 1 0 -8.58937851970107 1094215 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.066 3 4 0 -8.05493630961193 1094212 CC1=NC(=NC=C1)NC(=O)COC2=CC=C(C=C2)Cl 1 2.139 3 2 -7.24414725634856 1094196 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 1 3.653 3 3 -5.33613843905855 1094170 CCCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.159 3 3 -8.78935835770114 1094124 CC1=CSC(=N1)NC(=O)CC2=C(C=CC=C2Cl)F 1 2.799 2 1 -8.11942539259601 1094123 C1=CC(=C(C(=C1)Cl)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)F 1 3.004 3 3 -12.9213123209137 1094121 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=C(C=CC=C3Cl)F 1 3.032 4 3 0 -15.7456655770266 1094120 CCOC(=O)C1CCN(CC1)C(=O)CC2=C(C=CC=C2Cl)F 1 2.824 1 3 -13.2430406030092 1094119 C1COCCN1CCNC(=O)CC2=C(C=CC=C2Cl)F 1 1.769 2 2 0 -13.2831967493802 1094117 CCSC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCO3 1 3.273 1 3 -11.7549178974993 1094111 COC1=CC(=C(C=C1)C(=O)NC2=NN=C(S2)CCC3=CC=CC=C3)OC 1 3.471 3 3 -11.5282010687879 1094110 CS(=O)(=O)NC1=NN=C(S1)CCC2=CC=CC=C2 1 1.631 3 2 0 -10.0961436875085 1094109 CC1=CC=C(C=C1)SCC(=O)NC2=NN=C(S2)C(C)(C)C 1 3.775 3 1 -8.37875946621552 1094107 CC(C)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)NC(=O)C(C)C 1 2.728 4 2 -18.2356517654231 1094105 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.669 3 5 0 -28.3343112206893 1094099 CCC(CC)C1=NN=C(S1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 2.775 3 3 -13.855822437814 1094096 C1CCC2=C(C1)N=C(S2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3 1 2.386 2 3 -10.5732838004635 1094094 C1=CC=C(C=C1)CS(=O)(=O)CC(=O)NC2=NN=C(S2)C(F)(F)F 1 1.822 3 3 0 -10.0822086273985 1094093 CC(C)(C)C1=NN=C(S1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 2.28 3 3 -10.8149800727255 1094092 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3 1 0.804 2 6 0 -21.8215638336868 1094091 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CS(=O)(=O)CC4=CC=CC=C4 1 1.937 2 5 0 -6.26582374653395 1094090 CCOC(=O)CC1=CSC(=N1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.664 2 5 0 -13.6644502347568 1094089 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3 1 3.111 2 3 -4.07440347094049 1094088 COC1=CC2=C(C=C1)N=C(S2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3 1 2.608 2 4 -6.64946094270906 1094087 CC1=NC(=CC=C1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.67 2 3 0 -6.83041076451163 1094083 CC1CCN(CC1)C(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.797 1 3 0 -11.647166155792 1094082 CC1=CC(=NC=C1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.873 2 3 0 -6.29912288557893 1094080 CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCC(F)(F)F 1 4.554 3 1 -2.46550396743649 1094077 CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O 1 1.234 3 4 0 -20.5150309545497 1094076 CC(=O)C1=CC=C(C=C1)NC2=NC(=O)C3=C(S2)N=CC=C3 1 2.735 3 2 -8.69691421411401 1094062 COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCC5=CC=CC=C54 1 3.98 4 2 -12.086445551252 1094056 CC1=CC(=NO1)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=C(C=C4)OC 1 2.838 5 3 0 -16.0038584744709 1094050 COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCCCC4 1 3.246 4 2 -8.93034957297487 1094049 COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCC5=CC=CC=C5C4 1 3.987 4 2 -12.3612170002495 1094037 COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCCC5=CC=CC=C54 1 4.437 4 2 -10.5570752243438 1094033 CN1CCN(CC1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=C(C=C4)OC 1 2.286 5 2 0 -6.17331319810611 1094032 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=CN(N=C4C)C 1 3.135 6 1 0 -6.33870076508471 1094019 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCCC5=CC=CC=C54 1 4.939 4 1 -10.1441090151996 1094001 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCC5=CC=CC=C54 1 4.483 4 1 -11.6734793421079 1093989 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCC5=CC=CC=C5C4 1 4.49 4 1 -11.9482507911054 1093987 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=CC(=CC=C3)OC 1 2.275 5 2 0 -7.33534964000157 1093983 CC1=C(C(=NN1C)C)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=CC=C4 1 2.794 6 1 0 -6.70164119057821 1093979 CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)NCC3=CC=C(C=C3)OC 1 2.042 4 2 -13.4733512872563 1093978 CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)N3CCCCC3 1 1.598 4 1 0 -11.6908184068338 1093977 CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)NCC3=CC(=C(C=C3)OC)OC 1 2.026 4 3 0 -17.9151036222505 1093969 CCC1=CC=C(C=C1)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C 1 2.994 4 1 -9.889967118736 1093959 C1CN(C2=CC=CC=C21)C(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5 1 3.997 4 1 -12.3164087554355 1093949 C1CN(CC2=CC=CC=C21)C(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5 1 4.004 4 1 -12.591180204433 1093929 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=C(C4=C(S3)CCC4)C#N 1 2.883 6 1 0 -20.9588701122601 1093927 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC 1 2.86 5 3 0 -18.8367531586284 1093879 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NOC(=C3)C4=CC=CC=C4Cl 1 3.746 2 4 -6.59524249534642 1093880 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=NOC(=C3)C4=CC=CC=C4Cl 1 2.877 3 4 0 -1.52763694300823 1093882 CN1C(=C(C=N1)C#N)NC(=O)C2=NOC(=C2)C3=CC=CC=C3Cl 1 2.624 5 2 0 -5.30662426373322 1093888 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 1.869 6 3 0 -21.1236987260337 1093889 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=CC(=C(C=C3)OC)OC 1 2.258 5 3 0 -12.609207574578 1093910 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)N 1 2.007 6 2 0 -14.1122821932753 1093908 CCN(CC)C1=CC=C(C=C1)NC(=O)C2=NN3C(=CC(=NC3=N2)C)C(F)F 1 3.151 6 1 0 -12.0939231611947 1093907 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC 1 1.202 6 3 0 -14.3547766992241 1093905 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=C(C=CC(=C3)Cl)OC 1 2.939 5 2 0 -7.56996841871838 1093900 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=CC=CC=C3C(=O)OC 1 2.146 5 3 0 -14.1562993400857 1093875 C1=CC=C(C(=C1)C2=CC(=NO2)C(=O)NCC3=CC=CC=N3)Cl 1 3.042 3 2 -7.13331724435983 1093869 C1COCCN1CCNC(=O)C2=NOC(=C2)C3=CC=CC=C3Cl 1 2.221 3 3 -7.02727890874732 1093868 C1CCN(C1)C(=O)C2=NOC(=C2)C3=CC=CC=C3Cl 1 3.061 2 2 -1.5590318511212 1093865 C1CCC(CC1)NC(=O)C2=NOC(=C2)C3=CC=CC=C3Cl 1 4.253 2 2 -3.58993049446205 1093861 C1CCC(C1)NC(=O)C2=NOC(=C2)C3=CC=CC=C3Cl 1 3.796 2 2 -3.23546198029397 1093858 COC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CC=C3Cl 1 3.955 2 3 -1.90170808808435 1093857 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=NOC(=C2)C3=CC=CC=C3Cl 1 3.922 2 5 0 -6.6496059834173 1093853 COC1=C(C=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CC=C3Cl)OC 1 3.938 2 4 -6.95869853219477 1093852 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4Cl 1 3.739 2 4 -4.58514934842372 1093851 CC1=CC(=C(C=C1)O)NC(=O)C2=NOC(=C2)C3=CC=CC=C3Cl 1 4.215 2 3 1.60842710172328 1093850 C1=CC=C(C(=C1)C2=CC(=NO2)C(=O)NC3=CC(=CC=C3)O)Cl 1 3.729 2 3 0.805788824795011 1093845 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=NOC(=C3)C4=C(C=C(C=C4)Cl)Cl 1 3.541 3 4 0 0.465865180597942 1093844 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NOC(=C3)C4=C(C=C(C=C4)Cl)Cl 1 4.41 2 4 -4.69913459826503 1093832 C1COCCN1C(=O)C2=NOC(=C2)C3=C(C=C(C=C3)Cl)Cl 1 2.952 2 3 -1.58568891798348 1093831 C1COCCN1CCNC(=O)C2=NOC(=C2)C3=C(C=C(C=C3)Cl)Cl 1 2.885 3 3 -5.13117101166593 1093829 C1CCN(C1)C(=O)C2=NOC(=C2)C3=C(C=C(C=C3)Cl)Cl 1 3.726 2 2 0.337076045960189 1093827 C1CCCN(CC1)C(=O)C2=NOC(=C2)C3=C(C=C(C=C3)Cl)Cl 1 4.638 2 2 -1.73924682078911e-002 1093826 C1CCC(C1)NC(=O)C2=NOC(=C2)C3=C(C=C(C=C3)Cl)Cl 1 4.461 2 2 -1.33935408321258 1093818 C1=CC(=CN=C1)NC(=O)C2=NOC(=C2)C3=C(C=C(C=C3)Cl)Cl 1 3.485 3 2 -0.189378123004607 1093814 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CN(N=C3)C(C)C 1 3.169 4 2 -2.8669321608044 1093810 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C=NN3C)C#N 1 2.446 5 2 0 -5.91209724458567 1093808 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.699 3 4 0 -2.0357156973359 1093805 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.568 2 4 -7.20071547619887 1093796 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCC4=CC=CC=C4C3 1 4.08 2 2 -5.94984077341641 1093793 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCOCC3 1 2.11 2 3 -4.08726979591732 1093792 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCN3CCOCC3 1 2.043 3 3 -7.63275188959977 1093790 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCCC3 1 2.883 2 2 -2.16450483197365 1093789 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCCC4=CC=CC=C43 1 4.53 2 2 -4.58722127624971 1093788 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC3=CC=CS3 1 3.54 2 2 -8.21387547692925 1093787 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCCCCC3 1 3.796 2 2 -2.51897334614173 1093786 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 4.035 3 3 -0.442959941340332 1093785 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3CCCCC3 1 4.074 2 2 -4.19540347531451 1093781 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3CCCC3 1 3.618 2 2 -3.84093496114643 1093774 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC3=CC=CO3 1 2.982 2 3 -7.51911030929466 1093772 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC3=CN=CC=C3 1 2.649 3 2 -7.88851303516142 1093771 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=C(C=C3)OC 1 3.776 2 3 -2.5071810689368 1093770 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC 1 3.744 2 5 0 -7.25507896426975 1093769 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=NOC(=C3)C 1 2.931 3 3 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COC1=C(C=C(C=C1)Cl)NC(=O)C2=NOC(=C2)C3=CC=CC=C3 1 3.955 2 3 -2.99944877350278 1093725 COC1=C(C=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CC=C3)OC 1 3.274 2 4 -8.03868792936242 1093724 C1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C=CC(=C3)Br)O 1 3.813 2 3 2.00907597010893 1093547 CC1=C(SC2=C1C(=O)N(C=N2)CCN3C=NC4=C(C3=O)C(=C(S4)C)C)C 1 2.567 4 2 -7.70800633127516 1093545 CC(C)C1=NN=C(S1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O 1 3.257 3 3 -15.9036688365896 1093540 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3OC 1 2.552 4 4 0 -13.1700983650851 1093521 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC)C(=O)OC 1 2.307 3 6 0 -27.9090953104827 1093516 C1COCCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)N 1 2.337 2 2 -4.14670742471365 1093514 C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)C5=CC=CC=C5Cl 1 3.805 6 1 0 -8.76089382547414 1093512 C1=CC(=C(C=C1CSCC(=O)NC2=CNC(=O)NC2=O)Cl)Cl 1 1.206 3 3 0 -16.6858988957962 1093509 CC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2NC(=O)C3=CC=CO3 1 3.116 2 4 -8.02642130755638 1093506 COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3 1 2.613 2 5 0 -7.41487815237411 1093498 CCC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.572 2 4 -6.86906539704544 1093497 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl 1 3.852 2 3 -5.45296705677959 1093495 COC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2)NC(=O)C3=CC=CO3 1 2.613 2 5 0 -10.3097451616547 1093493 C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.188 2 3 -8.2955251992073 1093492 C1=CC=C(C=C1)SCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3 1 3.188 2 3 -8.22034588812788 1093490 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OCC(=O)O 1 2.259 2 6 0 -10.7087165406573 1093489 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3 1 3.336 2 3 -9.40537560571547 1093471 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 1.377 3 5 0 -15.0535503707437 1093470 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 2.033 2 4 -12.2056227244783 1093466 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3CCCCC3)OC1=O 1 2.315 2 4 -7.53291471904 1093465 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 1.832 2 4 0 -15.1581577927225 1093464 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC)OC1=O 1 2.276 3 5 0 -12.7373083496944 1093463 CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CO3)OC1=O 1 1.222 2 5 0 -5.62536886113603 1093462 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)OC1=O 1 2.698 2 4 0.282584010500374 1093461 CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)OC1=O 1 2.04 2 4 -3.05844130503133 1093460 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)OC1=O 1 2.361 2 4 -4.53212675270053 1093455 CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3)OC1=O 1 2.239 2 4 -7.45992454727475 1093454 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 1.154 3 5 0 -6.11501160904175 1093453 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3O)OC1=O 1 1.791 2 5 0 0.5101825319038 1093452 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)O)OC1=O 1 1.791 2 5 0 0.340459431052702 1093451 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)OC)OC1=O 1 1.889 2 6 0 -10.2112757728308 1093450 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)OC1=O 1 1.663 2 6 0 -6.61504982000809 1093449 CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 2.237 2 6 0 -6.86904783024979 1093448 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OC)OC1=O 1 1.889 2 6 0 -5.53181768706478 1093445 CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C 1 2.503 2 5 0 -3.9456015123432 1093443 CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C)C 1 3.006 2 4 -1.15580635704119 1093440 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC)N(C1=O)C 1 1.834 4 4 0 -20.2179598029471 1093438 CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CO3)N(C1=O)C 1 0.781 3 4 0 -13.1060203143887 1093437 CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)N(C1=O)C 1 1.599 3 3 0 -10.539092758284 1093435 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)O)N(C1=O)C 1 2.014 3 4 0 -4.91323865274374 1093434 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C 1 0.712 4 4 0 -13.5956630622944 1093433 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3OC)N(C1=O)C 1 1.575 3 4 0 -13.0501424515292 1093432 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3O)N(C1=O)C 1 1.35 3 4 0 -6.97046892134883 1093431 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)N(C1=O)C 1 1.575 3 4 0 -9.43303234248322 1093429 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)N(C1=O)C 1 1.222 3 5 0 -14.0957012732607 1093427 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OC)N(C1=O)C 1 1.447 3 5 0 -13.0124691403174 1093425 CC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C 1 2.078 3 3 -10.6592590215222 1093424 CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)OC)OC)N(C1=O)C 1 1.559 3 5 0 -11.6913267109229 1093420 COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCC2=CN=CC=C2 1 0.787 2 5 0 -10.7405288034949 1093419 COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCC2=CC=CC=N2 1 1.002 2 5 0 -11.1418464104047 1093410 CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NC3=CC(=CC=C3)OC)N 1 2.139 3 3 -6.3688687212104 1093408 CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NC3=CC=CC=C3Br)N 1 2.904 3 2 -7.73147408957092 1093394 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3)OC 1 1.763 2 4 0 -15.4409100178356 1093389 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3)OC 1 1.529 3 4 0 -17.7068695688058 1093388 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3)OC 1 1.529 3 4 0 -19.705754518439 1093385 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3)OC 1 1.862 2 5 0 -19.3363517925723 1093382 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC3)OC 1 1.586 2 4 0 -15.4763457914383 1093379 C1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CN=CC=C3)Cl 1 2.74 3 4 0 -19.6115226883166 1093376 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)Cl 1 3.139 2 4 -21.4353839177335 1093375 CN1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl 1 1.438 3 4 0 -15.4733334979777 1093374 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCOCC3)Cl 1 1.168 2 5 0 -19.798666322622 1093373 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)C(=O)N)Cl 1 0.955 3 5 0 -18.8571668449221 1093372 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCC3)Cl 1 2.398 2 4 -18.2303698728465 1093368 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC3)Cl 1 1.764 2 4 0 -17.9113371322811 1093365 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)Cl 1 1.282 1 4 0 -15.9591358363572 1093361 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3 1 2.458 2 5 0 -19.5536506627846 1093359 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)N3CCOCC3 1 0.487 2 6 0 -17.9169330676731 1093358 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3 1 2.173 2 5 0 -16.3486366178975 1093354 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3 1 1.261 2 5 0 -15.9941681037294 1093348 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3 1 1.242 3 5 0 -19.9408767973714 1093344 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC3 1 1.084 2 5 0 -16.0296038773322 1093336 CCN1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.427 3 3 0 -9.59756226165661 1093335 CN1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.078 3 3 0 -7.99090635820574 1093333 CN(CC(=O)N1CCC(CC1)C(=O)N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 0.595 3 4 0 -10.6393612167081 1093329 CN(CC(=O)NCC1=CC=NC=C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.348 3 3 0 -14.1998501193392 1093325 CS(=O)(=O)N(CC(=O)NCC1=CC2=C(C=C1)OCO2)C3CCCCC3 1 1.64 2 5 0 -16.0960354562916 1093324 CCN1CCN(CC1)C(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C 1 0.846 3 3 0 -10.7122663938053 1093323 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)NCC2=CC3=C(C=C2)OCO3 1 1.686 2 5 0 -18.0694555595008 1093322 CN(CC(=O)NCC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.563 2 5 0 -14.1176989955264 1093320 CCN1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)OC 1 0.502 3 4 0 -9.46900488600417 1093319 CN(CC(=O)NCC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=C(C=C3)OC 1 1.342 2 6 0 -15.2425422301358 1093318 CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)NCC2=CC3=C(C=C2)OCO3 1 1.365 2 5 0 -17.9466417498165 1093311 COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)NC(=C2)C3=CC=C(C=C3)N)C#N 1 1.946 3 4 0 -6.36431240638465 1093288 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3CCCCC3 1 2.43 4 4 0 -18.8856917022224 1093284 C1=CC=C2C(=C1)C=NN(C2=O)CCC(=O)O 1 0.788 2 3 0 -9.10386481725673 1093278 C1CN(CCN1CC2=CC(=C3C=CC=NC3=C2O)Cl)C4=CC=CC=N4 1 3.53 4 1 7.52634073493984 1093252 CCOC(=O)N1CCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 2.36 4 3 0 4.06992568293992 1093251 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=NC3=CC=CC=C3S2 1 2.695 3 3 -6.97102993097123 1093239 C1C(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.994 2 3 0 -14.1800729799485 1093238 C1C(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)F 1 1.535 2 3 0 -15.29019464507 1093237 C1C(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3 1 1.329 2 3 0 -17.0664943067838 1093235 CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC)N 1 2.018 3 3 -6.42999934679331 1093228 CC(=O)NC1=CC=CC(=C1)CCC2=NC3=CC=CC=C3N2 1 2.882 3 1 -4.68307328088212 1093227 C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CCC4=CC(=CC=C4)N 1 3.923 3 0 1.97087976731513 1093226 CC1=CC2=C(C=C1)N=C(N2)CCCC3=NC4=C(N3)C=C(C=C4)C 1 4.69 4 0 1.42315612533181 1093211 CCOC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NN=CN3C 1 1.611 8 1 0 -15.5629113592491 1093144 CC(C)OC1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=O 1 4.397 1 2 1.07536547847979 1093143 CCOC1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=O 1 4.02 1 2 1.51033440677042 1093141 CCOC1=C(C=C(C=C1)CN2C3=CC=CC=C3SC2=O)OC 1 4.003 1 3 -3.65408937840244 1093139 CCOC1=CC=CC=C1CN2C3=CC=CC=C3SC2=O 1 4.02 1 2 -1.2489809340998 1093136 CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC2=O 1 4.222 1 2 1.85354924435639 1093135 CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3SC2=O 1 4.222 1 2 2.8479978069704 1093134 CC1=CC=CC=C1OCCN2C3=CC=CC=C3SC2=O 1 4.222 1 2 2.0235545307699 1093076 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3OC 1 2.224 3 5 0 -18.1872738947212 1093075 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3OC 1 2.884 2 4 -22.8713503191962 1093074 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 3.366 2 4 -20.9836056028955 1092988 C=CCC1=C(C(=CC=C1)CNC2=NC3=CC=CC=C3N2CCN4CCOCC4)O 1 3.605 4 2 -6.7932333484546 1092971 CC1=C(C(=NO1)C)CCC(=O)O 1 0.832 1 3 0 -15.030860283825 1092966 CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=CC=C(C=C3)OC 1 2.179 3 4 0 -6.18909435036349 1092962 CC1=CC=C(C=C1)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C 1 2.682 3 3 -5.63085157001979 1092961 CC1=CC(=CC=C1)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C 1 2.682 3 3 -4.67884668510264 1092960 CC1=CC=CC=C1OCC(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C 1 2.682 3 3 -5.55399431047599 1092930 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)OC)C 1 1.332 2 7 0 -21.3714666554159 1092928 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCCC3 1 2.011 2 5 0 -8.84835122279883 1092926 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CN=CC=C3 1 2.006 3 4 0 -15.9383943409675 1092921 CCN1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3 1 2.085 3 4 0 -9.98683508470639 1092919 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=NC=C3 1 2.006 3 4 0 -13.8421151648094 1092909 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCC(CC3)C(=O)N 1 1.254 3 5 0 -11.0286340397579 1092908 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4 1 3.167 2 4 -8.26083581850508 1092907 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)OCC(=O)OC 1 2.782 1 5 -19.1244846147999 1092906 CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=C(O4)C=CC=N5 1 3.364 3 4 0 -1.35854003512038 1092904 CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4 1 3.653 2 4 -12.3183990443033 1092902 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)OCC(=O)OC 1 2.28 1 7 0 -11.6475892205233 1092897 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 1.74 2 5 0 -10.2128734063988 1092890 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCC3)OC 1 2.955 2 4 -15.3172081254392 1092886 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CCCCC3)OC 1 3.424 2 4 -20.9275706974623 1092880 CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)OCC(=O)OC 1 2.269 1 7 0 -9.62497050911551 1092879 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC3)OC 1 2.499 2 4 -14.9627396112712 1092878 CN1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3 1 1.737 3 4 0 -8.38017918125552 1092876 CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CN=CC=C2)OCC(=O)OC 1 1.35 2 5 0 -10.3127680680781 1092874 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=N3 1 2.221 3 4 0 -15.556104750997 1092869 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 2.575 2 5 0 -3.87685332321984 1092860 CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)C3=CC=CC=C3F 1 2.94 5 2 0 -26.6652645508079 1092856 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 3.078 2 4 -1.19431529220846 1092833 CC1=CC(=C(C=C1)C(C)C)OCC2=NNC(=S)O2 1 4.059 2 2 -3.76790579995441 1092832 CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC4=C(O3)C(=CC=C4)OC 1 3.951 4 3 0 -13.3203229672991 1092821 CN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC4=CC=CC=C4O3 1 3.921 4 2 -9.68142898597845 1092820 C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.63 2 4 0 -19.8382474514495 1092818 CC(C)C1=CC=CC=C1NS(=O)(=O)C2=CC=CS2 1 3.298 1 2 -4.76306418682399 1092812 C1CCN(C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.174 2 4 0 -19.4837789372814 1092811 CN1C(=NNC1=S)C2=CC3=C(O2)C(=CC=C3)OC 1 2.68 3 2 -1.24802283175686 1092810 CC1=C(C=CC(=C1)CCCC2=NNC(=S)N2C)OC 1 3.519 3 1 -1.66510180705017 1092792 CCN1C(=NNC1=S)CNC(=O)CC2=CC=C(C=C2)OC 1 1.529 4 2 0 -13.1855270894135 1092785 C1CC1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 0.996 2 4 0 -21.8155186985481 1092767 CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.882 2 4 0 -22.5273570553539 1092757 CCN1C(=NNC1=S)CC(=O)NC2=CC=CC=C2 1 1.751 4 1 0 -9.86978985220821 1092745 CN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)C3=CC=C(C=C3)OC 1 2.369 5 3 0 -23.8433747751532 1092743 C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.086 2 4 -19.8382474514495 1092742 CCN1C(=NNC1=S)CC(=O)NC2=CC=C(C=C2)C 1 2.238 4 1 -9.71313571383486 1092738 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 2.591 2 4 -3.88031557898548 1092731 CC1=C(C=CC(=C1)CCCC2=NN=C(N2C)SCC(=O)NC3=NC=CS3)OC 1 3.459 5 2 0 -13.6234743884871 1092724 CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)C3=CC=CO3 1 1.785 5 2 0 -12.6108152189783 1092714 C1CCC(C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.909 2 4 0 -21.3019125183809 1092712 C1CCCC(CC1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.821 2 4 -21.656381032549 1092711 CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC4=C(O3)C(=CC=C4)OC 1 4.253 4 3 0 -13.4172814672317 1092707 C1CCC(=CC1)CCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.834 2 4 -24.9349079933561 1092703 CN1C(=NNC1=S)CC(=O)NC2=CC=CC=C2 1 1.403 4 1 0 -9.74708416357039 1092666 CC(C)NC(=O)C1=CC=C(C=C1)OC2CSC2 1 2.209 1 2 -13.6416504268297 1092661 COC1=C(C=CC(=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CC=C3Cl 1 3.442 2 4 -12.0655557338433 1092658 COC1=C(C=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=CC=C3Cl 1 4 2 3 -13.5993577563752 1092654 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 2.588 3 3 -0.186604217857423 1092653 CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C)Cl 1 2.083 3 1 -0.164477009648305 1092651 CCN(CC)C1=NC(=NC(=N1)NC2=CC=CC=C2)OC3=NNC(=O)C=C3 1 2.306 7 2 0 -12.3218403968795 1092650 CC(C)NC1=NC(=NC(=N1)OC2=NN(C(=O)C=C2)C3=CC=CC=C3)NC(C)(C)C 1 3.266 7 2 0 -13.2925843108695 1092649 CC(C)NC1=NC(=NC(=N1)OC2=NN(C(=O)C=C2)C)NC(C)(C)C 1 1.69 7 2 0 -15.7124031521475 1092646 CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)CCC(=O)N3CCOCC3 1 0.797 2 6 0 -31.8032305168099 1092635 C1=CC=C(C=C1)C(=O)NC(=O)NC2=CC=CC=C2O 1 2.152 2 3 -1.7623788400001 1092475 CC1=C(SC(=N1)N)C2=CSC(=N2)NCC3=CC=CC=C3 1 2.518 4 0 9.97433068496317 1092472 CC1=C(SC(=N1)C)C2=CSC(=N2)NC3=CC=C(C=C3)F 1 3.182 3 0 9.53485738462581 1092471 C1=CSC(=C1)C2=CSC(=N2)NC3=CC=C(C=C3)N 1 2.893 3 0 7.33420432590436 1092467 C1=CC(=CC(=C1)Cl)NC2=NC(=CS2)C3=CC=NC=C3 1 3.2 3 0 11.3721608773785 1092465 CC1=CC=CC=C1NC2=NC(=CS2)C3=CN=CC=C3 1 3.022 3 0 6.05188364591214 1092464 C1=CC=C(C(=C1)NC2=NC(=CS2)C3=CN=CC=C3)Cl 1 3.2 3 0 7.02630830369793 1092463 C1=CC(=CN=C1)C2=CSC(=N2)NC3=CC=C(C=C3)F 1 2.741 3 0 6.97178064635203 1092458 CC1=CC(=NC=C1)NC2=NC(=CS2)C3=CC(=CC=C3)NC(=O)C 1 2.682 4 1 6.47587953650792 1092456 CC(=O)NC1=CC=CC(=C1)C2=CSC(=N2)NC3=CC=CC=N3 1 2.195 4 1 6.39097019061449 1092450 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NCCC3=CC(=C(C=C3)OC)OC 1 3.102 3 3 -2.91400360425838 1092449 CC1=NC(=CC=C1)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C 1 2.478 4 1 2.91480873596219 1092442 CC1=CN=C(C=C1)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC 1 3.528 3 2 3.26753998333731 1092438 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)C4=CC=C(C=C4)OC 1 3.297 4 4 0 -4.31300062524334 1092437 CC1=NC(=CC=C1)NC2=NC(=CS2)C3=CC=C(C=C3)OC(=O)C 1 3.125 3 2 4.59829022162664 1092431 CC1=CC(=NC=C1)NC2=NC(=CS2)C3=CC=C(C=C3)F 1 3.767 3 0 10.1444345863953 1092430 C1=CC=NC(=C1)NC2=NC(=CS2)C3=CC=C(C=C3)F 1 3.28 3 0 10.017081562805 1092429 CC1=C(N=CC=C1)NC2=NC(=CS2)C3=CC=CC=C3 1 3.561 3 0 8.03886879321382 1092427 C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3=O 1 3.253 1 2 -6.15529059710025 1092388 CC(C)OC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)N3CCOCC3 1 5.061 3 2 -3.43723078035959 1092355 C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4 1 2.113 3 7 0 -10.877533768851 1092329 COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC(=C(C=C2)OC)OC)OC 1 2.58 1 6 0 -10.2354090010753 1092325 COC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)N3CCOCC3 1 1.788 2 5 0 -16.7918199403564 1092315 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 2.138 2 4 -14.8991177897502 1092313 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2)Br 1 2.121 2 3 -5.11110839410602 1092303 COC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)Br 1 3.377 1 3 -3.28920122110014 1092299 CC1=CC(=NC(=N1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)C 1 2.611 3 3 -18.9506744544875 1092296 COC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32 1 1.789 2 5 0 -28.2129296039651 1092283 CC1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)/C=C/4\C(=O)NN(C4=O)C5=CC=CC=C5 1 4.869 3 3 -2.37911441760305 1092256 CN1C(=NN=C1SCC(=O)NNC(=O)CC2=CC=CC=C2)C3=CC=CC=C3 1 2.336 5 2 0 -13.2753847066425 1092235 CC1=CC2=C(C=C1)C=C(C(=N2)SCC3=NN=C(O3)C4=CC=CC=C4[N+](=O)[O-])C#N 1 4.432 5 3 0 -10.2673383972354 1092234 CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)N3CCCC4=CC=CC=C43)C#N 1 4.835 3 1 -12.1225994709517 1092078 CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N 1 3.4 2 3 -22.8926537881813 1092071 CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3O 1 2.937 2 4 -3.25335037841693 1092050 CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCOCC4 1 2.157 3 3 -11.1715330125585 1092037 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC2=NS(=O)(=O)C3=CC=CC=C32 1 1.907 2 6 0 -11.0933492150706 1092032 CC1=C(C=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)N4CCOCC4)C)C 1 2.332 3 3 -14.4777792280871 1092024 COC(=O)C1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=CC=CC=N3 1 1.829 4 3 0 -9.47598150579256 1092021 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.872 3 3 -5.88416737058741 1092014 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)NC4=CN=CC=C4 1 2.438 4 2 -11.3307650726733 1092001 CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=CC=CC=C3)CC=C 1 2.971 4 2 -7.31488323412388 1091998 CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CCSC4=NC=CC=N4 1 2.294 7 2 0 -5.46892844340766 1091990 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CC=C 1 2.213 6 3 0 -11.6110049744857 1091989 CC(=C)CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C 1 2.66 6 3 0 -12.9911723343772 1091912 CC1=C(C=C(C=C1)N(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C(=O)C)C 1 3.078 2 3 -6.66120572036082 1091910 CC1=CC(=C(C=C1)N(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C(=O)C)C 1 3.078 2 3 -6.67897457371737 1091908 CCC(=O)N(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C3=CC=C(C=C3)OC 1 2.756 2 4 -7.71506371622514 1091906 CCC(=O)N(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C3=CC=C(C=C3)C 1 3.259 2 3 -7.08643689690286 1091891 CCOC1=CC=C(C=C1)N(CC2=CC3=C(C=CC(=C3)C)NC2=O)C(=O)COC 1 2.677 2 4 -10.4928640288882 1091890 CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3=CC(=C(C=C3)C)C)C(=O)COC 1 3.317 2 3 -10.4416725874783 1091888 CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3=CC=CC(=C3C)C)C(=O)COC 1 3.317 2 3 -10.8296218301133 1091877 CC1=CC(=C(C=C1)N(CC2=CC3=C(C=C(C=C3)C)NC2=O)C(=O)COC)C 1 3.317 2 3 -11.5585602362013 1091876 CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3=CC=CC=C3C)C(=O)COC 1 2.831 2 3 -13.2131152062986 1091871 CCOC1=CC(=CC(=C1OCC)OCC)C2=NC(=NO2)C3=C(N=C(C=C3)C)OCC 1 4.145 3 5 0 -5.80497363623252 1091867 COC1=CC=CC(=C1)C2=NC(=C(C=C2)C3=NOC(=N3)C4=CC=CS4)OC 1 4.401 3 3 3.59576972123422 1091863 CCOC1=CC(=CC(=C1OCC)OCC)C2=NC(=NO2)C3=C(N=C(C=C3)C)OC 1 3.797 3 5 0 -5.69512572103863 1091861 CC1=CC(=CC=C1)NC2=NC3=CC=CC=C3N4C2=NN=N4 1 2.174 6 0 -1.87240565955873 1091856 CN1C2=C(C=C(C=C2)C(=O)N(C)C)N(C1=O)C 1 0.518 3 2 0 -12.2370153176919 1091854 CC1=C(C(=NN1C2=CC=CC=C2)C)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C 1 2.092 4 3 0 -6.71270093633312 1091853 COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NS(=O)(=O)C)Cl 1 2.731 4 3 0 -5.41914238377149 1091852 CN1C2=C(C=C(C=C2)C(=O)N)N(C1=O)C 1 0.106 3 2 0 -11.4462810287203 1091844 CN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)N(C1=O)C 1 1.872 3 3 0 -12.5328336392836 1091839 C1COCCN1C2=CC=C(C=C2)NC3=NC(=NC4=CC=CC=C43)N5CCOCC5 1 2.441 5 2 0 4.99074046869606 1091834 C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)F 1 2.797 2 4 -2.75201008861045 1091828 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CN=CC=C3)Cl 1 0.933 3 4 0 -19.8834593457519 1091808 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2N(C)S(=O)(=O)C 1 1.037 2 5 0 -16.2421524960699 1091807 CN(C1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C 1 1.517 2 5 0 -14.6855503024669 1091806 CN(C1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C 1 1.669 3 5 0 -10.2398058824789 1091801 CC(=O)NC1=NN=C(S1)SCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl 1 1.658 5 3 0 -17.4608707878465 1091800 CC1=C(C(=CC=C1)NC(=O)CSC2=NC=NC3=C2NC=N3)C 1 2.452 5 1 -9.72449858344709 1091794 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NCC3=CC(=CC(=C3)OC)OC)C)Cl 1 3.387 3 4 0 -11.895454644731 1091792 CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N(C)C3=CC=CC=C3 1 4.193 1 4 -6.04513683533026 1091791 COC1=C(C=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3OC)OC 1 3.605 1 6 0 -12.1927990190403 1091784 CCN1C(=CC=N1)C(=O)NC2=NC3=CC=CC=C3N2CCN4CCCCC4 1 3.223 6 1 0 -11.085786886683 1091781 CCCC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NCC3=CN=CC=C3)OC 1 3.893 2 4 -13.737167353823 1091778 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=C(O2)COCC(F)(F)F 1 2.85 1 6 0 -10.8757436811667 1091773 COC1=CC=CC=C1NC(=O)C2=CC=C(O2)COC3=CC=CC=C3OC 1 3.622 1 5 -11.3024152012948 1091772 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)COCC(F)(F)F 1 3.073 3 2 -4.85428485016986 1091771 C1=CC(=NC=C1Cl)NC(=O)C2=CC=C(O2)COCC(C(F)F)(F)F 1 2.949 2 3 -5.26954260227577 1091766 C1CC2=C(C1)C=C(C=C2)OCC3=CC=C(O3)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5 1 3.617 2 5 0 -7.96470696094177 1091762 CCCC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCCC3 1 4.143 1 3 -5.1429682289253 1091759 CC1=CC(=NN1CC2=CC=C(O2)C(=O)NCC3=CC=CO3)C(F)(F)F 1 3.026 3 3 -9.91721484986754 1091758 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)O)C)[N+](=O)[O-] 1 1.488 3 5 0 -5.48167202591125 1091754 CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)N2C=CC=N2)Cl)Cl 1 3.071 3 3 -5.10728375171052 1091748 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CO4 1 2.562 2 5 0 -10.4151769393013 1091720 C1CN(CCN1CC(=O)C2=CC=C(C=C2)F)C3=NC=CC=N3 1 1.533 4 1 0 1.05669981208784 1091659 COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)COC3=CC=CC=C3 1 2.613 2 5 0 -10.4000549564321 1091676 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)C4=CC=CS4 1 2.938 5 1 -11.8869217700154 1091701 CC1=C(C=C(O1)C2=CC(=CC=C2)C(F)(F)F)C(=O)NC3=NC(=NS3)CC(=O)C 1 3.352 3 3 6.10856008995641 1091700 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl 1 3.885 3 3 0.492160746814473 1091698 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl 1 3.885 3 3 2.07982237398629 1091695 CC(C)(C)NC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)NC3=CC=CC=C3 1 2.184 6 2 0 -15.1192577071117 1091694 CC(C)(C)NC1=NC(=NC(=N1)N2CCOCC2)SCC3=CC=CC=C3 1 3.131 5 1 -11.547434305154 1091686 CCN1N=C(N=N1)NC(=O)C2=CC=CC(=C2)C3=CC4=CC=CC=C4OC3=O 1 3.088 5 3 0 -4.72170928692207 1091684 CCN1N=C(N=N1)NC(=O)C2=CC=CO2 1 0.935 5 2 0 -6.53819662716535 1091683 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)COC4=CC=C(C=C4)OC 1 2.804 5 3 0 -12.2285632803613 1091647 COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC(=CC=C3)F 1 2.983 2 4 -8.13540747157536 1091646 COC1=C(C(=CC=C1)OC)C(=O)NC2=C(C=CC(=C2)NC(=O)C3=CC=CO3)OC 1 2.745 2 6 0 -10.5293279503968 1091621 CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)C#N)F 1 3.207 4 2 -10.9331657240807 1091610 CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)Cl 1 3.787 3 2 -7.31882102729257 1091604 CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)OC)Cl 1 3.771 3 3 -10.8739793869472 1091600 CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.537 4 5 0 -8.64600489727715 1091593 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(N=CC=C4)Cl 1 4.346 3 1 4.36344231199648 1091589 CCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C 1 3.146 3 2 -6.3913190361991 1091587 CCC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC 1 3.438 3 3 -8.5934049224667 1091586 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)C)C 1 3.468 3 3 -7.47074642966545 1091582 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3 1 3.569 3 2 -5.54818980225312 1091581 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl 1 2.805 2 3 -5.23976279474932 1091576 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl 1 2.805 2 3 -7.02076070922337 1091567 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)OC 1 1.932 3 4 0 -16.4711308143828 1091563 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3 1 2.402 2 4 -4.79712124172803 1091562 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3 1 1.932 3 4 0 -11.1448430389031 1091555 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.569 3 3 -15.237132035597 1091554 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(S3)Cl 1 1.468 2 4 0 -11.6397896214507 1091553 CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CS3 1 2.695 2 3 -12.7577453720871 1091552 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.19 2 6 0 -16.8461381859015 1091549 CCN1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 1.381 4 2 0 -12.285455836352 1091547 C1CCN(CC1)C(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC(=O)N4CCCCC4 1 1.342 4 4 0 -9.8243034556509 1091533 CC(C)C(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CC4=C(C=C3)OCO4 1 3.61 2 4 -18.0505655870663 1091526 CCC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)OCC 1 3.705 2 3 -11.9224754819743 1091520 COC1=CC(=C(C=C1)OC)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 3.732 2 5 0 -11.5942629177049 1091514 C1=CC=C2C(=C1)C(=CN2CC(=O)NC3=CC=CC=C3F)C(=O)C4=CC=CO4 1 3.97 2 3 -10.3562166362169 1091512 COC1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 3.748 2 4 -9.34591870133493 1091502 C1CCC(CC1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 4.046 2 3 -12.3337940331168 1091495 CS(=O)(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl 1 0.625 4 3 0 -15.3973002914523 1091486 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.188 3 4 0 -16.9253770548886 1091482 C1CCN(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.947 3 3 0 -16.0466931824816 1091481 C1CN(CCN1C(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 0.717 3 4 0 -17.6149896322572 1091480 CCN(CC)C(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C 1 2.521 3 3 -17.3110146666954 1091479 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)N3CCOCC3)C 1 1.512 3 4 0 -14.8065095316544 1091476 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCOCC3 1 -0.281 3 5 0 -20.2795843857308 1091475 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCCCC3 1 0.949 3 4 0 -18.3214016642811 1091474 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 0.462 3 4 0 -19.2174113035172 1091472 C1COCCN1CC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 2.151 2 4 -9.57731310829186 1091463 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3 1 2.908 2 5 0 -15.8704662113331 1091455 CN(C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)C 1 1.309 3 5 0 -22.3444337463502 1091454 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 1.238 2 6 0 -10.7711161867425 1091452 C1COCCN1C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)OCCO4 1 1.205 2 6 0 -15.1915175827181 1091448 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 0.539 3 5 0 -15.4985815481303 1091447 COC1=C(C=C(C=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)OC 1 1.325 2 7 0 -21.4155644886039 1091446 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CCCCC3 1 2.921 2 5 0 -21.4808287833562 1091445 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC3 1 1.996 2 5 0 -15.515997697165 1091444 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3 1 2.171 2 5 0 -10.6405669222688 1091441 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCC3 1 2.452 2 5 0 -15.8704662113331 1091433 CC1=C(C=CC(=C1)Cl)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 2.509 2 5 0 -15.6288382785061 1091431 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)OC 1 1.386 2 6 0 -17.15240674733 1091421 CC1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC 1 3.143 2 5 0 -11.7644675283769 1091413 COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.125 1 4 -0.462499455298196 1091403 CCOC1=CC=CC=C1NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl 1 2.459 2 4 -8.45781180296053 1091399 CC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl 1 1.866 2 4 0 -7.84752883732192 1091396 CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl 1 2.459 2 4 -5.31203566737742 1091395 CC1=C(C(=CC=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl)C 1 3.099 2 3 -3.1265870346192 1091393 C1CN(CCN1C2=C3C(=CSC3=NC=N2)C4=CC=CS4)C(=O)C5=CC=CO5 1 3.561 4 2 -4.37596375260222 1091334 CCSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 3.443 2 3 -7.74521196645031 1091333 CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)NC(=O)C(C)C 1 2.266 4 2 -20.5974771078565 1091332 CCC1=NN=C(S1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.4 3 3 0 -15.3260951966213 1091324 CCC1=NN=C(S1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 2.562 4 2 -16.5468670838818 1091323 CCC1=NN=C(S1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 1 3.276 3 2 -12.9781384770299 1091313 COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)F)OC 1 3.221 3 3 -15.7743581220076 1091264 COC1=C(C=C(C=C1C=NNC(=O)C2=CC=NC=C2)Br)Br 1 3.013 3 2 0.219162595064646 1091263 COC1=C(C=C(C=C1C=NNC(=O)C2=CN=CC=C2)Br)Br 1 3.013 3 2 -0.949280378480615 1091247 COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NC3=NC(=CS3)C4C5CC6CC(C5)CC4C6 1 4.298 2 4 -5.44162010348965 1091243 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NN=CC3=CC=CC=C3F 1 3.897 3 3 -1.1039099614571 1091094 CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3 1 1.503 2 4 0 -10.2993307569816 1091075 CCCN1C2=CC=CC=C2N=C1COC3=CC=C(C=C3)C(=O)O 1 3.814 2 3 -2.06374036903378 1091072 COC1=CC=C(C=C1)NCC2=NC3=CC=CC=C3N2CCOC4=CC=CC=C4 1 4.752 3 2 -2.24849078226107 1091068 C1=CC=C(C=C1)OCCN2C=NC(=C2Cl)Cl 1 2.887 2 1 -1.73464684515033 1091016 CC(C)(C)NC(=O)C1=CC2=CC(=CC(=C2OC1=O)OC)[N+](=O)[O-] 1 1.877 2 6 0 -18.6138913796327 1091004 CC(C)C1=C(C=CC(=C1)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C)OC 1 2.658 2 3 -13.0302148866061 1091003 CC1=CC(=C(C=C1C(C)C)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C)OC 1 3.144 2 3 -12.7948129330116 1091002 CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C 1 2.145 2 4 -14.7818494129872 1090998 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.903 2 5 0 -9.85037156911375 1090996 CCOC1=C(C=C(C(=C1)C)S(=O)(=O)NCC2=CC=CC=N2)C 1 2.693 2 3 -3.9640129174347 1090993 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C 1 2.595 1 4 -15.9355733559194 1090979 COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)O 1 2.135 1 4 2.16551495475144 1090978 COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)O 1 2.135 1 4 0.30963381281779 1090968 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 1.956 2 3 0 -8.28321319712562 1090967 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2Cl 1 1.291 2 3 0 -9.26471277547762 1090966 CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)C 1 1.599 2 3 0 -12.0277181438828 1090957 CN1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 0.995 3 3 0 -13.7827979379438 1090953 C1CN(CCC1C(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.265 3 3 0 -18.4513253496146 1090949 CCOC(=O)CC1=C(N2C(=C(C(=N2)C)C3=CC=C(C=C3)OC)N=C1C)C 1 2.691 3 3 -9.54872866062371 1090948 COC1=CC(=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3)OC 1 3.622 1 5 -9.46122893322754 1090946 CCN1C(=C(C(=N1)C)NS(=O)(=O)C2=CC=CC=C2)C 1 1.744 3 2 0 -5.1526332432122 1090945 CC1=CC(=NN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)OC)C 1 2.955 3 3 -9.56636379990949 1090944 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=NSN=C32 1 2.445 3 2 -3.44226361395663 1090943 CCS(=O)(=O)NC1=CC2=C(C=C1)NC(=O)N2 1 -4.8e-002 3 3 0 -11.9751374754142 1090938 CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C 1 2.165 4 2 -12.204622650584 1090937 CC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 3.185 4 3 0 -11.3879430181245 1090936 CCC1=NN=C(O1)SCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 1.701 4 3 0 -19.2872906386564 1090904 COC1=CC(=C(C=C1/C=C(/C#N)\C2=CC=C(C=C2)F)OC)N3CCCC3 1 4.451 2 2 -6.47846081435597 1090900 CCOC(=O)N1CCN(CC1)C(=O)CN(C2CCCCC2)S(=O)(=O)C 1 0.703 3 5 0 -11.6636943954809 1090899 CS(=O)(=O)N(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C4CCCCC4 1 1.803 3 5 0 -8.47992569096412 1090898 COC1=CC=CC=C1N2CCN(CC2)C(=O)CN(C3CCCCC3)S(=O)(=O)C 1 2.107 3 4 0 -9.23131764501285 1090897 CS(=O)(=O)N(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3CCCCC3 1 2.035 3 3 -7.47436324963879 1090894 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)N2CCC3=CC=CC=C3C2 1 2.198 2 3 -15.0275595752043 1090893 CN1CCN(CC1)C(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C 1 0.498 3 3 0 -9.10561049035445 1090892 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)NC2=CC3=C(C=C2)OCO3 1 1.679 2 5 0 -15.3769929749267 1090879 COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 1.535 2 5 0 -13.9635718222806 1090865 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)OC 1 1.889 2 5 0 -11.2728608859564 1090864 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.016 3 5 0 -16.8850577264793 1090853 C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5 1 4.121 2 3 -11.8943461011742 1090849 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.228 2 5 0 -13.4886501583761 1090845 CC1=C(C=C(C=C1)Cl)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 2.509 2 5 0 -17.1361820852412 1090840 C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 0.976 2 6 0 -10.1777049987854 1090786 C1=CC=C(C(=C1)N2C(=NNC2=S)C3=CC=CO3)Cl 1 3.738 3 1 -1.30263362276052 1090785 CC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 3.117 4 2 -9.67124858434423 1090783 CC1=C(NC(=NC1=O)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C 1 1.143 5 3 0 -25.9097993056651 1090779 C1=CC=C2C(=C1)C=CC=C2NC3=NN=C(S3)C4=CC=NC=C4 1 2.899 4 0 1.00940049574627 1090777 CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=NN3)C4=CSC=C4 1 3.762 5 1 -5.46330033329126 1090776 CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4 1 3.495 5 2 0 -4.08636911127265 1090775 COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4 1 3.723 5 3 0 0.16080228967751 1090755 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl 1 3.604 2 3 -7.2528760785105e-003 1090749 CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)CN3CCOCC3)Cl 1 2.636 3 2 -10.0138117121592 1090746 C1COCCN1CC(=O)NC2=NC=C(S2)CC3=CC=CC4=CC=CC=C43 1 2.394 3 2 -7.06059329151348 1090745 C1COCCN1CC(=O)NC2=NC=C(S2)CC3=CC=CC=C3Cl 1 2.15 3 2 -9.47609399889104 1090743 C1=CC(=CC(=C1)N)C2=CC=C(O2)CO 1 1.47 1 2 0 8.41886401939665 1090741 C1=CC=C(C(=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CO3)F 1 2.814 4 2 -6.10064221217031 1090740 CC1=NC(=NC=C1)SC2=NC=C(C=C2)[N+](=O)[O-] 1 2.256 4 2 -6.37519664582166 1090738 C1=COC(=C1)C2=NC(=NN2)SC3=NC=C(C=C3)[N+](=O)[O-] 1 2.832 5 3 0 0.523678059860195 1090735 CC1=NC(=NC2=C1CCCC2)SCC3=CC=C(C=C3)C(=O)O 1 4.13 2 2 -8.49657375276088 1090725 C1CCN(C1)C(=O)COC2=CC=C(C=C2)C3=CC=CC=C3 1 3.058 1 2 -2.74691351231108 1090715 CN(C)C1=NC(=NC(=N1)NC2=CC=CC=C2)N(C)C 1 1.506 6 0 0 -2.05829969082578 1090714 CN(C)C1=NC(=NC(=N1)N2CCOCC2)SCC3=CC=CC=C3 1 2.406 5 1 -7.78288647099636 1090694 CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NCC3=CC=C(C=C3)OC 1 0.249 5 4 0 -21.4512253936919 1090691 C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=NC=NN4 1 2.484 6 1 0 -0.740470848763856 1090690 C1=CC(=C(C=C1C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=NC=NN4)Cl)Cl 1 3.56 5 2 0 5.32941206558139 1090689 C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=NC=NN3)Cl)C(=O)C4=CC=CC=C4 1 2.489 6 2 0 -5.34394567206038 1090685 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.176 2 4 -19.7953935516631 1090683 CCN1CCN(CC1)C(=O)CN(C2=C(C=CC(=C2)OC)OC)S(=O)(=O)C 1 0.485 3 5 0 -13.3598879608753 1090681 C1=CC=C(C=C1)C(=O)CCC(=O)NC2=CN=CC=C2 1 1.419 2 2 0 -6.94100187898803 1090677 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 1.751 2 5 0 -12.8470201216218 1090666 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=CN=CC=C2 1 1.804 3 3 0 -24.0520053511238 1090665 CCOC(=O)N1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C 1 1.786 3 5 0 -17.2089955474772 1090662 CN1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)Cl 1 2.195 3 4 0 -8.15261360003444 1090648 C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C4=CC=CC5=C4C(=CC=C5)C3=O 1 2.31 2 4 -10.2210863536018 1090619 CS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 1 1.231 2 4 0 -15.6493938656759 1090611 CN(C1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 1.506 2 5 0 -14.5614827514726 1090606 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.723 2 5 0 -23.5058973125499 1090604 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.716 2 5 0 -19.1679366462297 1090603 CS(=O)(=O)N(CC(=O)NCC1=CC2=C(C=C1)OCO2)C3=CC(=CC=C3)Cl 1 2.022 2 5 0 -16.0027430738699 1090596 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 0.779 3 6 0 -17.9877159321636 1090583 COC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CN=CC=C2 1 1.403 2 3 0 -6.46092629409804 1090582 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=CC=CC=N2 1 2.019 3 3 -23.5986969906657 1090581 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC=CC=N3)Cl 1 2.68 3 4 0 -14.9873264643587 1090543 COC1=CC(=C(C=C1CNCC2=CC=CO2)OC)OC 1 2.083 1 4 -1.74103948892964 1090486 CC1=CC2=C(C=C1)OC(=O)N2CC3=CC=C(C=C3)OC 1 3.599 1 3 1.89170514251988 1090485 CC1=CC2=C(C=C1)OC(=O)N2CC(=O)OC 1 1.739 1 4 0 -4.4680863904798 1090482 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)OC 1 2.398 4 4 0 -6.58941367703306 1090480 CCOC(=O)N1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC(C)C 1 1.581 3 5 0 -18.4767354421601 1090479 C1=CN(C(=C1)C=C(C#N)C#N)C2=CC=C(C=C2)C(=O)O 1 2.813 3 2 -1.44085815094296 1090465 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=CC=N3 1 2.946 3 3 -21.855679997317 1090464 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 1.783 1 7 0 -10.4493207597129 1090461 COC(=O)COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)Cl 1 1.861 1 6 0 -12.8818556767072 1090452 CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.518 2 5 0 -24.7736372072329 1090448 CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.511 2 5 0 -20.4356765409126 1090447 CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCC(CC2)C(=O)N 1 0.846 3 4 0 -18.0872244971451 1090444 COC1=CC=CC=C1CNC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.018 2 5 0 -24.7506299291746 1090425 CCN1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)NC(C)C 1 1.022 3 4 0 -16.4984534121906 1090424 CC1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC(C)C 1 2.541 2 3 -20.884915617416 1090417 CCOC(=O)C1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC(C)C 1 2.048 2 5 0 -21.3707472682523 1090408 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)OC)Cl 1 1.511 2 7 0 -23.0817012035701 1090405 CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.985 3 4 0 -14.3387946942361 1090401 CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=CC=CC=N2 1 1.814 3 3 0 -24.8664368853487 1090399 CCN1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 2.468 3 3 -12.6503803356067 1090393 COC1=C(C=CC(=C1)N2CCOCC2)C=C(C#N)C#N 1 1.849 3 2 0 -1.96951198505876 1090375 COC(=O)COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)Cl 1 2.458 1 7 0 -13.3578237686774 1090374 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CN=CC=C3 1 2.731 3 3 -22.308988357775 1090373 CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCCCC2 1 2.289 2 3 -18.1958060135116 1090369 CC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C 1 2.756 3 3 -15.5042577659282 1090364 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.539 3 3 -4.87689401595298 1090353 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C 1 2.756 3 3 -14.7370832838146 1090350 CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.07 3 2 -11.1204923825101 1090345 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 2.66 3 2 -9.04687509783431 1090344 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C 1 2.27 3 3 -14.6359445111901 1090340 CC1=CC(=C(C=C1)OCC(=O)N2C(=CC(=N2)C)C)C 1 3.164 2 2 -7.18266149582325 1090326 C1CN(CCN1CC2=CN3C=CC=CC3=N2)C4=CC=CC=C4 1 2.488 4 0 0.806593762607463 1090315 CC1=C(C(=CC=C1)NCC2=C3C=CC=NC3=C(C=C2)O)C 1 4.138 2 1 7.54479755596216 1090314 CC1=C(C=C(C=C1)NCC2=C3C=CC=NC3=C(C=C2)O)C 1 4.138 2 1 5.10052989666196 1090313 CC1=CC(=CC=C1)NCC2=C3C=CC=NC3=C(C=C2)O 1 3.652 2 1 7.13869603810643 1090312 CC1=CC=CC=C1NCC2=C3C=CC=NC3=C(C=C2)O 1 3.652 2 1 5.03033562628645 1090308 C1CN(CCN1CC2=C3C=CC=NC3=C(C=C2)O)C4=CC=CC=C4 1 3.477 3 1 10.2771121740123 1090305 CCOC(=O)N1CCN(CC1)CC2=C3C=CC=NC3=C(C=C2)O 1 2.056 3 3 3.77147078398019 1090238 COC1=CC=C(C=C1)OCC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N 1 2.576 5 3 0 -4.42263507238413 1090234 CC1=NC(=NC=C1)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N 1 2.176 7 1 0 -8.4354356633322 1090231 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC3=CC=C(C=C3)OC 1 2.576 5 3 0 -3.38256992460687 1090230 CC1=CC(=NC(=N1)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N)C 1 2.458 7 1 0 -7.44819012080023 1090229 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCC4=CC=CC=C4C3 1 2.757 6 1 0 -4.56261470737212 1090216 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4 1 2.865 3 5 0 -1.31995044427271 1090208 CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F)Cl 1 3.831 4 1 -1.82521178760266 1090204 CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)Cl 1 3.952 3 1 0.265328621252486 1090203 CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)Cl 1 3.952 3 1 0.238146804854946 1090201 CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl 1 3.952 3 1 -1.88439379620907 1090196 CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])Cl 1 3.161 4 4 0 0.601786943422544 1090194 CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)NCC4=CC=CO4)C(=O)CCC3 1 2.445 2 4 -21.0426724501067 1090156 CC1=CC=C(C=C1)NC(=O)C2=CC3=C(CCCC3=O)N(C2=O)C4=CC=C(C=C4)OC 1 3.24 2 4 -16.0705085377525 1090137 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C4=CC=CC=C4OC3=O 1 2.216 3 5 0 -19.0410465718106 1090132 COC1=CC(=C(C=C1)OC)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4 1 2.314 1 4 -18.1071443963137 1090114 COC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2CCN4CCOCC4 1 2.822 4 2 -6.22593369954427 1090110 C1CCN(CC1)CCN2C3=CC=CC=C3N=C2NCC4=CC=CC=C4O 1 3.826 4 1 0.536672621896383 1090109 CCN(CC)CCN1C2=CC=CC=C2N=C1NCC3=C(C(=CC=C3)OC)OC 1 3.816 4 2 -5.94623447947875 1090106 CCN(CC)CCN1C2=CC=CC=C2N=C1NCC3=CC=C(C=C3)OC 1 3.832 4 1 -4.69207324496316 1090103 CCOC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2C 1 3.345 3 1 -2.15894582691743 1090102 CC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2C 1 3.499 3 0 -0.97975646606527 1090093 C1CN=C(SC1)NC2=CC=CC(=C2)C(F)(F)F 1 3.235 2 0 -2.41481784231838 1090073 C1CCC(CC1)NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.487 2 5 0 -12.6000365375434 1090060 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl 1 3.831 2 4 -4.09774148830919 1090059 COC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CS4 1 3.104 2 5 0 -15.6939660029661 1090058 COC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CO4 1 2.546 2 6 0 -14.1601639804343 1090057 CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CO4 1 3.048 2 5 0 -11.7642060538057 1090056 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 2.562 2 5 0 -7.64198423486528 1090054 CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4 1 2.851 3 3 -4.46841958501347 1090053 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5 1 3.912 3 4 0 -9.03702963308652 1090052 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CO5 1 2.821 3 5 0 -7.25458932225107 1090038 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4 1 3.823 3 3 -1.63009814775705 1090030 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=O)C4=CC5=C(C=C4)OCO5 1 4.309 3 3 -3.00436016344411 1090028 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=NC5=CC=CC=C5S4)Cl 1 5.056 2 3 1.22723536656818 1090026 CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4 1 4.877 2 3 -0.297424458934656 1090025 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC5=C(C=C4)OCO5 1 4.877 2 3 -1.06887195661607 1090024 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4 1 4.391 2 3 2.00828303792336 1090022 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=NC5=C(O4)C=CC=N5)Cl 1 3.542 3 4 0 0.137850369179573 1090016 COC1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=CC=CC5=CC=CC=C54 1 5.252 5 1 2.95174566703686 1090014 C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CO3 1 1.485 1 6 0 -10.067186715058 1090004 CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CO2 1 2.203 1 4 -7.11061714979615 1089981 COC1=C(C=C(C=C1)C2=NC3=C(C=C2)C4=C(S3)C(=O)NC(=O)N4)OC 1 2.68 3 4 0 -9.20519477047351 1089932 CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C(=CC(=N2)C)C(F)(F)F)C#N 1 4.524 2 2 -13.1829882406323 1089931 CC1=CC(=O)NC(=C1C#N)SCC(=O)NC2=CC(=C(C=C2)OC)OC 1 1.788 3 4 0 -21.8632892973936 1089897 CC(C)NC(=O)C1=C(C2=C(C3=C(CCN(C3)C)N=C2S1)C4=CC=CS4)N 1 2.981 4 1 -14.2380004924628 1089859 CC1=CC(=NC(=C1C#N)SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C 1 3.299 3 3 -22.4676340650781 1089855 COC1=CC(=C(C=C1)C2=CC=C(O2)C=NNC(=O)C3=CN=CC=C3)[N+](=O)[O-] 1 2.615 4 5 0 -5.20624229794684 1089759 CC1=CC(=C(C=C1C2=CC=C(O2)C=NNC(=O)C3=CN=CC=C3)C)[N+](=O)[O-] 1 3.604 4 4 0 -6.10096030329714 1089646 CC(C)(C)OC(=O)N1CCC2(CC1)C(=C(OC3=C2C(=O)CCC3)N)C#N 1 1.357 3 4 0 -15.7214826304058 1089637 CCOC(=O)N1CCC2(CC1)C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N 1 1.233 3 4 0 -15.7715188074842 1089490 C1CCC2=C(C1)C3=CC=CC=C3N2CC(=O)O 1 3.194 1 2 -3.66096914362365 1089418 C1=CC=NC(=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Br)Br)Br)Br 1 4.821 2 2 -3.66333426833213 1089402 CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O)Cl 1 3.882 2 5 0 -10.6582570947803 1089393 CC1=CC(=C(C(=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)C)S(=O)(=O)C3=CC=C(C=C3)Cl 1 4.686 1 6 0 -5.47958454012675 1089327 CN1CCN(CC1)CC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C 1 2.029 6 2 0 -11.9944704486877 1089320 CC(=C)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3 1 2.813 5 2 0 -12.9373363912963 1089316 CC1CCN(CC1)C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C 1 3.308 5 2 0 -8.76015734095342 1089313 CC1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C 1 2.53 5 2 0 -8.92231309716817 1089310 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCCCC3)CC4=C(C=CC=C4Cl)F 1 3.537 5 2 0 -12.4560717591796 1089303 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CN3CCN(CC3)CC4=CC=CC=C4 1 1.501 6 2 0 -6.31038251204136 1089298 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CCSC4=NC5=CC=CC=C5N4 1 2.692 7 2 0 -14.3120627010201 1089297 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCOCC3)C 1 2.098 2 2 -9.19956327105192 1089296 CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C 1 3.525 2 3 -3.03163073390526 1089293 COC1=CC(=C(C=C1C(=O)N2CCN(CC2)C3=CC=CC=N3)OC)OC 1 2.212 3 4 0 -8.24647848228506 1089289 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC(=C(C=C2OC)OC)OC)C 1 1.728 2 4 0 -16.4797298177553 1089288 COC1=CC(=C(C=C1C(=O)NCC2=CC=CO2)OC)OC 1 1.754 1 5 0 -14.1175369029872 1089285 C1=CC=C(C=C1)CC(=O)NCC2=CN=CC=C2 1 1.505 2 1 0 -12.1901589860698 1089243 C1=CC=C2C(=C1)N=C(N2CCO)Cl 1 1.888 2 1 0 0.268414224237236 1089231 C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=CC=CC=C3N 1 1.855 2 3 0 -13.3527942133444 1089230 C1COCCN1C2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(C=C3)F 1 2.377 2 4 -10.0134023810326 1089228 C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=CC=CC=C3F 1 2.807 1 3 -13.6496586667333 1089226 CN1C(=NN=C1SCC(=O)N)CN2CCOCC2 1 -0.709 5 2 0 -14.2177588238725 1089222 C1COCCN1C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(F)(F)F)N4CCOCC4 1 1.823 6 2 0 3.33013363932911 1089221 COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)Cl 1 1.529 6 3 0 -1.8704938077119 1089220 CCOC1=NC(=NC(=N1)NC2=CC(=C(C=C2)OC)Cl)OCC 1 3.734 4 3 0 -1.4508897778916 1089199 CC1=NC2=CC=CC=C2C3=NC(=NN13)NC(=O)C(F)(F)F 1 2.019 5 1 -4.56205396349327 1089189 C1=CC(=CC=C1OCCC2=NN=C(S2)N)Cl 1 2.23 3 1 1.24950185775668 1089188 C1=CC=C(C(=C1)OCCC2=NN=C(S2)N)Cl 1 2.23 3 1 -0.891072803136147 1089187 COC1=CC=C(C=C1)OCCC2=NN=C(S2)N 1 1.549 3 2 0 -1.13073961317384 1089186 COC1=CC=CC=C1OCCC2=NN=C(S2)N 1 1.549 3 2 0 -4.19454110226504 1089143 CC1(CC2=C(C(=O)NC1)SC(=N2)NC(=O)C3=CC=CC=C3Cl)C 1 2.906 3 2 -13.1415650321684 1089138 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F 1 3.498 3 3 3.89402004343019 1089133 CN1C(=NN=C1SCCC(=O)O)C2=CC=NC=C2 1 0.987 4 2 0 -9.70876076747838 1089132 CC(=O)CSC1=NN=C(N1C)C2=CC=NC=C2 1 0.839 4 1 0 -8.44636658663413 1089069 CC1(C(=O)NCCN1C(=O)CCCC(=O)O)C 1 -0.445 2 4 0 -23.6861577042749 1089068 CC1(C(=O)NCCN1C(=O)CCC(=O)O)C 1 -0.901 2 4 0 -21.7091523651756 1089057 C1=CC=C(C=C1)C2=NC3=NN=CN3C4=C2C=C(C=C4)[N+](=O)[O-] 1 3.418 5 2 0 1.76452566156772 1089055 CC1=CC2=C(C=C1)N3C=NN=C3N=C2C4=CC=CC=C4 1 4.01 4 0 5.38862724754943 1089052 C1CN(CCC1C2=CC=CC=C2)CC(=O)O 1 -1.032 1 2 0 -0.544862274566144 1089027 CC1=CC2=C(C=C1C)N(C=N2)CS(=O)(=O)C 1 2.104 2 2 -4.09355412007212 1089012 CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)N 1 3.315 2 5 0 0.360897694070872 1089009 C1COCCN1C(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4 1 3.171 3 2 -15.1817724589291 1089008 CS(=O)(=O)N(CC(=O)N1CCOCC1)C2=C3C=CC=C4C3=C(CC4)C=C2 1 1.409 2 4 0 -13.1628400100103 1089007 C1=CC=C(C=C1)N2C(=O)N(N(C2=O)CC3=CC=CC=N3)CC4=CC=CC=N4 1 2.435 5 2 0 -3.64963459922904 1089006 COC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)COC4=CC=C(C=C4)OC 1 3.522 4 3 0 -6.02114227487668 1089004 CCN(CC)C(=O)CSC1=NN=C(N1N)COC2=CC=C(C=C2)OC 1 1.492 5 3 0 -19.980731522773 1088996 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CC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)C 1 3.372 1 3 -7.09871227536982 1088346 CC1=CC(=C(C=C1)C(=O)NCC2=CC=CO2)C 1 2.775 1 2 -8.12034642201566 1088331 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N 1 0.404 2 4 0 -14.2662841641835 1088328 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CCCCC3)OC 1 2.921 2 5 0 -26.8071165588359 1088322 COC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.154 2 6 0 -16.0543939196099 1088313 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3)OC 1 1.027 3 5 0 -23.5864154301793 1088312 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3)OC 1 1.027 3 5 0 -25.5853003798126 1088311 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3)OC 1 1.242 3 5 0 -25.2671645728511 1088308 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)OC 1 2.177 2 5 0 -23.8772258841829 1088168 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC(=C(C=C3)Cl)C 1 3.226 3 5 0 -16.0987938039119 1088164 CC(=O)NC1=C(OC2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC 1 2.916 1 5 0.324461290480244 1088163 COC1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=CC(=C3)OC)N 1 3.049 1 4 3.42689604308659 1088157 COC1=CC=CC=C1NC(=O)CCN2CCN(CC2)C3=CC=C(C=C3)Cl 1 3.482 3 2 -1.62695214924403 1088154 C1CN(CCN1CC#N)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 2.211 4 2 -6.7702142428372 1088153 C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC#N 1 2.459 4 2 -5.5989379287194 1088145 CCNC1=NC(=NC(=N1)N2CCOCC2)C(=O)O 1 -0.366 5 3 0 -5.1578578563555 1088144 CCNC1=NC(=NC(=N1)C(=O)NC2=CC=CC=C2)NCC 1 1.244 6 1 0 -5.87836914201734 1088127 CC1=CC=CC=C1CSC2=NSC(=N2)N 1 3.085 3 0 -3.78366656445768 1088126 CC1=NC2=NC=NN2C(=C1)NC3=C(C=C(C=C3)Cl)Cl 1 3.941 5 0 -6.76401167509291 1088125 CC1=NC2=NC=NN2C(=C1)N3CCN(CC3)C4=CC=CC=C4 1 2.854 6 0 -4.54916681293395 1088124 CC1=NC2=NC=NN2C(=C1)NC3=C(C(=CC=C3)Cl)Cl 1 3.941 5 0 -8.65512702236771 1088072 C1CCC2=NC(=NC(=C2C1)C3=CC=CC=C3)SCC(=O)N4CCC(CC4)C(=O)N 1 3.321 4 2 -7.55824442834545 1088062 CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN(C)C3CCCCC3 1 3.306 6 1 0 -2.80873230756668 1088061 CCOC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC=CC(=N3)C 1 2.524 7 1 0 -10.8508771419723 1088060 CCOC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN(C)C3CCCCC3 1 3.306 6 1 0 -4.45795063449875 1088052 CC1=C(C(=NC(=N1)NC2=NC3=CC=CC=C3O2)C)C(=O)NC4=CC=C(C=C4)F 1 3.107 5 2 0 -3.92310676623021 1087842 CC1=CC2=C(C=C1)OC(=O)N2CC3=CC=CC=C3 1 3.615 1 2 1.48985644688442 1087841 C1COCCN1C2=CC=CC=C2NC(=O)CSC3=NC(=O)C4=CC=CC=C4N3 1 2.517 4 3 0 -16.3517560004309 1087821 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2CC=C)N 1 1.898 4 4 0 -24.0852491701418 1087818 CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC)C 1 1.878 3 5 0 -18.128206857726 1087806 CC1=CC2=C(C=C1)C(=C(N2)SCC(=O)OC)[N+](=O)[O-] 1 2.877 2 4 -5.45287551344676 1087800 C1=CC=C(C(=C1)NCC2=CN=C(C=C2)Cl)NCC3=CN=C(C=C3)Cl 1 4.06 4 0 -1.29195994666398 1087796 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3CCCC3 1 1.731 2 4 0 -22.2128599491694 1087792 COC1=C(C=C(C=C1)C(=O)NC2=NN=CS2)S(=O)(=O)N3CCOCC3 1 -0.124 4 5 0 -25.0512392969111 1087791 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4 1 1.661 3 5 0 -17.4283942758303 1087790 COC1=C(C=C(C=C1)C(=O)OC2=CC=CC3=C2N=CC=C3)S(=O)(=O)N4CCOCC4 1 2.236 2 6 0 -24.6318976282865 1087786 COC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl 1 3.487 1 5 -16.9491949846959 1087784 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCOCC3 1 1.63 2 4 0 -21.0168576113122 1087782 CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C)S(=O)(=O)N3CCOCC3 1 0.64 4 4 0 -27.0472432306573 1087778 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCO3 1 2.197 2 5 0 -20.1523642699425 1087776 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)N 1 0.994 2 4 0 -9.8636614129302 1087769 C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC3=C(N=CC=C3)Cl 1 3.559 2 2 0.609199676657807 1087767 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.473 2 4 -7.81337474417122 1087766 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl 1 2.353 3 3 -18.0554962426064 1087765 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CN=CC=C3)Cl 1 2.623 3 3 -9.65329464990852 1087761 COC1=C(C=C(C=C1)C(=O)N2CCCCC2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O 1 2.262 2 6 0 -11.8067081783394 1087757 C1=CC=NC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.77 2 3 -8.29644670723146 1087751 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC=CS3 1 3.06 2 3 -23.5172814134702 1087750 C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NN=CS3 1 1.787 4 3 0 -21.4248764107847 1087748 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CN=CC=C3 1 1.58 2 5 0 -19.5966056753934 1087746 C1COCCN1C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 0.4 2 5 0 -19.4680953890634 1087733 CC1=CC(=NO1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.331 3 4 0 -27.4999640507382 1087732 CCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3 1 1.594 4 3 0 -26.7512804053097 1087730 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.294 3 4 0 -19.7831733565226 1087729 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NOC(=C2)C 1 1.567 3 4 0 -26.0943212088138 1087727 C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NCC3=CN=CC=C3)Cl)Cl 1 1.604 3 4 0 -20.2890727900927 1087726 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CN=CC=C3)F 1 0.474 3 4 0 -19.8928704278087 1087725 C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CN=CC=C3 1 2.566 2 3 -12.7546113199796 1087723 CC1CCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3 1 2.854 2 3 -16.8075627383944 1087720 C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3 1 1.372 2 4 0 -16.044257206479 1087718 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=CN=CC=C2 1 1.943 3 3 0 -16.0958062611912 1087717 CC1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.447 2 3 -22.0567100072992 1087716 C1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.422 2 4 0 -21.3257831248445 1087715 COC1=C(C=C(C=C1)C(=O)N2CCCCCC2)S(=O)(=O)N3CCOCC3 1 1.405 2 5 0 -21.4370686091076 1087710 C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=CC=C3O)Cl)Cl 1 2.506 2 5 0 -11.1308891444803 1087707 C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3O 1 1.177 2 5 0 -17.6462069544781 1087704 C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3 1 1.65 2 4 0 -15.885420766083 1087699 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NCC3=CC=CC4=CC=CC=C43 1 3.509 3 1 -0.30407955002603 1087688 COC1=CC=CC(=C1OCC2=CC=C(C=C2)F)CNC3=NC=NN3 1 2.807 4 2 -3.98297344616764 1087687 CCOC1=CC=CC(=C1OCC2=CC=CC=C2Cl)CNN3C=NN=C3 1 3.055 4 2 -4.26912573245897 1087550 CC1(CC(=O)C(=CNC2=CC=C(C=C2)NC=C3C(=O)CC(CC3=O)(C)C)C(=O)C1)C 1 2.217 2 4 -9.88980436519201 1087480 CCCN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC)C4=CC=CC=C4 1 5.047 3 1 -21.5301765445368 1087477 CC(=NNC(=O)CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)F 1 3.568 2 1 -3.43041146600683 1087444 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=C(O3)Br 1 3.362 2 3 -7.37842381717898 1087425 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)C 1 2.545 3 5 0 -5.2748591203564 1087418 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNC(=O)C3=CC=C(C=C3)Br 1 2.756 3 4 0 -1.73344660592344 1087417 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNC(=O)C3=CC=CC=C3Br 1 2.756 3 4 0 -2.73115732914391 1087416 C1=CC=C2C(=C1)C(=O)C(=C(N2)O)C(=O)NNC(=O)C3=CC=CC=C3Br 1 2.402 3 4 0 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0 -11.8333743412611 1085430 CN(CC(=O)NCC1=CC=CO1)S(=O)(=O)C2=CC=C(C=C2)F 1 0.977 2 4 0 -14.5759317328439 1085425 CN(CC(=O)NC1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC=C(C=C3)F 1 1.574 2 5 0 -13.0057101180173 1085424 CN(CC(=O)NCC1=CC=CO1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 0.739 2 6 0 -22.2769034930393 1085421 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.632 2 4 -20.1498620658311 1085418 CN(CC(=O)NC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.318 2 7 0 -19.4012186288659 1085415 CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)CC(=O)NCC2=CC=CC=N2)C 1 2.113 3 3 -13.5141234839328 1085411 CN(CC(=O)NCC1=CC=CC=N1)S(=O)(=O)C2=CC=C(C=C2)F 1 0.86 3 3 0 -14.6271986517491 1085410 CN(CC(=O)NCC1=CC=NC=C1)S(=O)(=O)C2=CC=C(C=C2)F 1 0.645 3 3 0 -12.9464495090773 1085407 CCOC(=O)N1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F 1 0.627 3 5 0 -9.77547155146124 1085405 CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)CC(=O)NCC2=CN=CC=C2)C 1 1.898 3 3 0 -13.8322592908944 1085404 CN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 1.553 2 5 0 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-14.7363349366776 1085311 CC1=C(C=CC(=C1)NC(=O)C2=CC=CO2)NC(=O)CC3=CC=CS3 1 3.269 2 3 -13.6108387902558 1085309 CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=O)C4CC4 1 3.645 2 2 6.26037687996889 1085307 CC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)COC3=CC=CC=C3 1 3.116 2 4 -8.90251580503181 1085306 C1=CC=C(C(=C1)OCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)Cl 1 3.294 2 4 -7.60934590382275 1085305 CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.602 2 4 -9.42868188994155 1085303 CC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=C(C=C3)Cl 1 3.945 2 3 -4.64135103333785 1085302 CC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CC=C3 1 3.28 2 3 -7.3563915179588 1085301 COC1=C(C=C(C=C1)NC(=O)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3 1 3.477 2 4 -8.20827077944028 1085299 CCC(=O)OC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 3.229 2 5 0 -12.1533735219312 1085298 CCC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 3.229 2 5 0 -10.5331548069334 1085292 C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3)O 1 2.552 2 4 -3.12674448513868 1085291 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)O)C(=O)O 1 2.182 2 6 0 -8.5752115873792 1085285 CCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NOC(=C2)C 1 1.54 3 3 0 -16.3372672521064 1085197 CN1CCN(CC1)C2=C(C(=NC=N2)Cl)N 1 0.836 5 0 0 5.6819524932387 1085196 C1CCN(C1)C2=C(C(=NC=N2)Cl)N 1 1.34 4 0 0 3.05701561139312 1085174 CC1=CC(=C(O1)C)C(=O)NCC(=O)O 1 -8.6e-002 1 4 0 -12.5263990516792 1085170 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CO3 1 2.354 2 2 -3.23811966762188 1085168 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3 1 2.656 3 3 -7.24034479003225 1085166 CC1=CC=CC=C1CN2C3=C(N=C2SC4=NCCS4)N(C(=O)N(C3=O)COC)COC 1 3.82 5 4 0 -17.6118991397008 1085155 C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.988 3 5 0 -7.93889994335856 1085107 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C4N3C(=CS4)C5=CC=CC=C5 1 3.777 4 3 0 -16.432198059441 1085106 C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C4N3C(=CS4)C5=CC=CC=C5 1 3.788 4 3 0 -15.2637512156966 1085093 CC1=CC(=NC(=N1)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)C 1 1.943 4 1 0 -6.02534263735739 1085052 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)CN3CCCCC3 1 2.847 3 3 -6.47253437302655 1085031 CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNS(=O)(=O)C 1 2.108 3 3 -7.97464200734912 1085027 C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4O3 1 2.925 3 3 -7.95511912471977 1085004 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O 1 2.785 4 2 -3.45748820634578 1085003 COC1=C(C=C(C=C1)Cl)NC(=O)CCN2C=NC3=CC=CC=C3C2=O 1 2.489 3 3 -7.6248539557294 1084980 COC1=C(C=C2C(=C1)CCN3C2=C(CN(C3)C4CCCCC4)C#N)OC 1 3.682 3 2 -6.42268280823289 1084971 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC(=O)C4=CC=CC=C4 1 0.721 5 4 0 -10.2921410755441 1084970 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCOC4=CC=CC=C4 1 2.783 5 3 0 -7.49014941706154 1084966 CCN(CC)C1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C 1 2.107 5 3 0 -8.22905872710005 1084962 CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C 1 0.239 5 2 0 -1.67420859126734 1084959 CC1=CC(=CC=C1)NC2=NC3=C(N2C/C=C(\C)/Cl)C(=O)N(C(=O)N3C)C 1 3.026 5 2 0 -9.97415551446431 1084957 CC1=CC=C(C=C1)NC2=NC3=C(N2C/C=C(\C)/Cl)C(=O)N(C(=O)N3C)C 1 3.026 5 2 0 -12.254542319326 1084934 CCN(CC)CCNC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)N(C(=O)N2C)C 1 1.799 6 2 0 -17.4491531409597 1084924 CN1CCC(CC1)N2C(=CC=N2)N 1 -3.2e-002 4 0 0 -12.0136009603964 1084912 CS(=O)(=O)N(CC(=O)N1CCCC1)C2=CC(=C(C=C2)Cl)Cl 1 2.002 2 3 -12.2060387704824 1084909 CS(=O)(=O)N(CC(=O)N1CCOCC1)C2=C(C=CC(=C2)C(F)(F)F)Cl 1 1.507 2 4 0 -10.6610437102516 1084907 CS(=O)(=O)N(CC(=O)NCC1=CC=CO1)C2=C(C=CC(=C2)C(F)(F)F)Cl 1 2.378 2 4 -14.2117229866223 1084906 CS(=O)(=O)N(CC(=O)N1CCOCC1)C2=C(C(=CC=C2)Cl)Cl 1 1.229 2 4 0 -15.6386830667828 1084875 CCN1C(=C(C(=N1)C)CCC(=O)O)C 1 1.377 2 2 0 -8.61818708256535 1084824 CC1(C=C(NC(=S)N1)/C=C/C2=CC=C(C=C2)OC)C 1 3.193 2 1 -0.854394167564749 1084820 CCCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 1 3.122 2 1 -13.2573834726534 1084819 CCC1=CC2=CC=CC=C2N=C1Cl 1 3.832 1 0 4.19030019758505 1084806 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC=CC=N3 1 2.487 3 1 -11.3592480471349 1084805 C1CCN(C1)C(=O)CSC2=NC=CC=N2 1 0.84 3 1 0 -9.65295134288793 1084803 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC3=C(CCC3)C=C2 1 3.641 3 2 -19.6089711079119 1084802 CCCC1=CC(=O)N=C(N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.359 3 4 0 -21.5651251401764 1084800 CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCCC3=CC=CC=C32 1 3.321 3 2 -18.6652001762122 1084793 CC1=C(C(=O)N=C(N1)SCC(=O)NC2CCCC2)CC3=CC=CC=C3 1 3.364 3 2 -20.7492233426037 1084779 CCCC(=O)NC1=NN=C(S1)SCC(=O)N2CCCCC2 1 1.813 4 2 0 -26.4042558311686 1084775 CC(C)(C)NC(=O)CSC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 2.654 4 2 -27.1435877548968 1084760 C1=COC(=C1)CNC(=O)COC(=O)C2=CC=CS2 1 1.463 1 4 0 -16.4393541330884 1084757 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CS2 1 2.265 1 4 -14.5303964925302 1084755 C1CCC(C1)NC(=O)COC(=O)C2=CC=CS2 1 2.1 1 3 -12.9010498479554 1084754 C1=COC(=C1)C(=O)OCC(=O)NCC2=CC=CS2 1 1.463 1 4 0 -14.0005863014086 1084753 COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CO2 1 1.707 1 5 0 -11.3968634932157 1084713 C1CCCN(CC1)CC2=CC=C(C=C2)N 1 2.53 2 0 4.28962412738649 1084706 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NC(=NS3)CC(=O)C 1 2.562 4 3 0 -11.3022027365985 1084704 C1=CSC(=C1)C2=CC=C(N2NC(=O)C3=CC=C(C=C3)O)CCC(=O)O 1 3.475 2 4 -8.62332075933975 1084703 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2 1 2.374 2 4 -20.6453335965771 1084702 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.346 3 4 0 -13.6401595503311 1084701 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C 1 0.674 3 4 0 -14.8917975087397 1084699 CCOC(=O)C1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)NC(C)C 1 1.392 2 6 0 -20.7527321897142 1084697 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCC2=CN=CC=C2 1 0.943 3 4 0 -21.8762331830132 1084696 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCC2=CC=CO2 1 1.276 2 5 0 -21.5068304571464 1084690 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=N3 1 2.29 3 4 0 -18.5473404880199 1084688 C1=CC=C2C=C3C(=CC2=C1)NC(=N3)C4=CC=CC=N4 1 3.456 3 0 5.66943197114146 1084687 COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-] 1 3.158 2 4 9.36462681936418 1084686 C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)Cl 1 2.794 2 1 10.4981009308958 1084685 C1=CC=C2C(=C1)C=CC3=C2N=C(N3)CC4=CC=C(C=C4)N 1 3.467 3 0 4.76784309650816 1084684 C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CC4=CC=C(C=C4)N 1 3.467 3 0 2.91220633539445 1084680 CC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CO3 1 1.755 3 3 0 -3.58014475726341 1084673 C1=CSC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=CN5 1 3.524 5 1 -1.37841532039073 1084671 C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC=CO4 1 2.299 4 2 0.322964332943491 1084669 C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC=CO4 1 3.45 3 2 1.99471721203413 1084667 C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4)F 1 3.11 4 1 -2.02073345723961 1084665 C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4)N 1 2.158 5 1 1.70158990359621 1084664 C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)N 1 2.158 5 1 0.212514033632727 1084661 C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CC=CC=N4 1 3.795 4 1 4.35323399550852 1084660 CC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CC=NC=C3 1 1.24 4 1 0 1.28565342580941 1084470 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)OC 1 1.811 4 5 0 -16.0021938880487 1084471 C1=CC(=CC(=C1)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 2.593 4 3 0 -10.6867474504443 1084475 C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 0.694 5 3 0 -12.9926251809401 1084477 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)Br 1 1.442 5 3 0 -10.701229177636 1084464 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Br 1 2.593 4 3 0 -10.4554060447729 1084462 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Cl 1 2.509 4 3 0 -11.373691854638 1084460 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 1 1.844 4 3 0 -11.9242653324765 1084448 CC1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)NC(=O)C(C)C 1 3.253 3 1 -6.2938041821689 1084447 CC1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)NC(=O)C 1 2.124 3 1 -1.49114912897 1084442 CC1=NN=C(O1)SCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.026 3 3 -13.8977140876021 1084440 CC(=O)CSC1=NN=C(O1)C2=CC3=C(C=C2)OCO3 1 1.562 2 4 0 -9.21536240927965 1084439 C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC(=O)N 1 0.834 3 4 0 -10.2117479730519 1084438 C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC(=O)O 1 1.462 2 5 0 -11.5903222651174 1084427 CN(CC(=O)NCC1=CC=CO1)S(=O)(=O)C2=CC=C(C=C2)OC 1 0.755 2 5 0 -15.7007749674533 1084421 CCOC(=O)CC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=C(C=C3)OC 1 1.002 3 4 0 -7.61224180317969 1084419 C1CC1C2=NC3=CC=CC=C3N2 1 2.364 2 0 -0.554981742993517 1084417 CC(C)C12CN3CC(C1=O)(CN(C2)C3C4=CC5=C(C=C4)OCO5)C(C)C 1 3.483 2 3 -7.97016215902066 1084416 COC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CO3)N 1 2.038 4 3 0 3.09093195071498 1084415 COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)N)OC 1 3.291 4 3 0 0.773208422367223 1084412 C1=COC(=C1)CNC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 3.672 1 3 -2.25794313241351 1084411 C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC3=NC=CS3)Cl 1 3.481 2 2 1.50064524666347 1084408 C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NCC3=CC=CO3)Cl 1 3.672 1 3 -2.67648890887074 1084407 C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC3=NC=CS3)Cl 1 3.481 2 2 1.17949369673101 1084406 C1COCCN1C(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl 1 3.465 1 3 0.815492940079535 1084401 CC1=C(C=C(C=C1)S(=O)(=O)N2CCSC2)C 1 2.334 1 2 -8.35835123056977 1084374 CCOC(=O)C1=C(C(=C(S1)N)C(=O)NC2=CC=CC=C2)C 1 2.636 2 3 -7.38936911481161 1084370 C1CN(CCC1C(=O)N)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 0.307 3 4 0 -18.7745179495895 1084367 C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 1.75 2 3 0 -18.1477209775139 1084366 C1CN(CCC1C(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3 1 1.06 3 3 0 -20.059212014316 1084365 C1CN(CCC1C(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 1 1.275 3 3 0 -21.9083741540002 1084360 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O)C)C 1 3.271 2 6 0 -15.6732519121372 1084350 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 2.106 3 4 0 -6.61430944670114 1084348 C1CCN(C1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.118 2 4 0 -19.7287412798131 1084342 CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCC4=CC=CC=C4C3 1 4.274 1 4 -11.2648764874208 1084341 COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)N3CCCCC3 1 3.185 1 4 -10.5718064513888 1084340 C1=CC=C2C=C(C=CC2=C1)OCC3=CC=C(O3)C(=O)OCC4=CC=CC=N4 1 4.282 1 4 -1.63922246804768 1084339 CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC(C)(C)C 1 3.342 1 4 -11.9480025800719 1084338 CCN1C(=CC=N1)C(=O)NC2=CC=CC(=C2C)C 1 2.877 3 1 -8.5802254396062 1084337 CN1CCN(CC1)C(=O)C2=CC=C(O2)COC3=C(C=CC(=C3)Cl)Cl 1 3.57 2 3 -3.35162657271385 1084336 COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)NC3=NC=C(C=C3)Cl 1 3.691 2 4 -6.5317618437815 1084335 CCN1C(=CC=N1)C(=O)NC2=CC(=C(C=C2)C)C 1 2.877 3 1 -9.92470932092981 1084328 CC1=C(C=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCCC3)C 1 3.717 1 3 -6.48449100362344 1084322 CCN1C(=CC=N1)C(=O)NC2=NC=C(C=C2)Cl 1 1.957 4 1 0 -7.81476303417134 1084316 C1=CC=C(C(=C1)OCC2=CC=C(O2)C(=O)OCC3=CC=CC=N3)Cl 1 4.038 1 4 -4.80103394590956 1084303 CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2CCCCC2 1 2.08 4 3 0 -10.1511045657979 1084302 CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)C)C 1 2.771 4 3 0 -7.24317985741061 1084300 CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2CCC3=CC=CC=C3C2 1 2.086 4 3 0 -13.3346537305274 1084299 CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NC3=CC=CC(=C3S2)C 1 2.91 5 3 0 -6.29000909504532 1084296 C1CCC(CC1)NC(=O)C2=CC(=NN2)[N+](=O)[O-] 1 2.065 4 3 0 -7.88955458631724 1084248 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CN=CC=C3 1 0.884 3 4 0 -24.8173382380089 1084231 CC(C)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.396 2 4 -3.7198084308018 1084227 COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)OC 1 1.168 2 6 0 -9.33338687648636 1084217 COC1=CC(=C(C=C1)OC)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.995 2 6 0 -21.1567127514028 1084214 CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.232 2 6 0 -22.7014897146112 1084211 CC1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.826 2 4 0 -23.0249331940276 1084194 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.649 2 5 0 -14.2781609659012 1084173 CN1C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)N=N1 1 2.317 5 2 0 -3.30188708847158 1084172 COC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3 1 2.407 2 5 0 -19.5128309307473 1084167 COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.057 2 6 0 -7.0884448928255 1084147 CN(C)C(=O)CN1C2=CC=CC3=C2C(=CC=C3)C1=O 1 1.164 2 2 0 -3.86530903664306 1084134 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F 1 2.233 2 4 -17.6382487292239 1084120 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC4=C(C=C3)OCCO4 1 1.813 2 6 0 -22.7519964735195 1084116 CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.406 2 6 0 -11.7345463370265 1084089 COC1=CC=C(C=C1)CCNC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.339 2 5 0 -22.2611381060776 1084075 CS(=O)(=O)N(CC(=O)N1CCCC1)C2=CC(=CC=C2)F 1 0.879 2 3 0 -11.3345671363721 1084070 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=N3 1 1.099 3 4 0 -24.4992024310474 1084054 CCOC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.36 2 5 0 -19.5310872822094 1084037 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)N4CCOCC4 1 2.354 5 2 0 -1.75690674040878 1084025 C1CN(CCN1C2=CC=CC=N2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4 1 4.036 3 1 -7.08743871968541 1084024 CC1(CC(CC(N1)(C)C)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C 1 3.552 2 1 -16.4021990427519 1084020 CCOC1=CC(=CC(=C1OCC)OCC)C2=NC(=NO2)C3=CC=NC=C3 1 2.991 3 4 0 3.55010652146849e-002 1084018 CCOC1=CC(=CC(=C1OCC)OCC)C2=NC(=NO2)C3=CC=C(C=C3)OC 1 4.125 2 5 0 0.350771230147948 1084017 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 3.259 3 4 0 -8.37185960053029 1084016 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2CC(NC(C2)(C)C)(C)C 1 2.775 2 4 -18.346104885078 1084014 CCOC(=O)N1CCN(CC1)C(=O)C(C)(C)OC2=CC=C(C=C2)Cl 1 2.748 2 4 -2.61535368209987 1083984 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC=CC=C2)C3(CCCC3)C(=O)NC4CCCCC4 1 3.691 4 4 0 -30.411341342465 1083956 CC1CCC(CC1)(C(=O)NC2CCCC2)N(CC3=CC=CO3)C(=O)CCC(=O)NC4=NOC(=C4)C 1 3.125 4 5 0 -32.593763381784 1083955 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC=CO2)C3(CCCCC3)C(=O)NC4CCCC4 1 2.873 4 5 0 -33.2629776762805 1083952 CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC=CO2)C3(CCCCC3)C(=O)NC4CCCCC4 1 3.329 4 5 0 -33.2629776762805 1083882 COC1=CC=C(C=C1)N(C(=O)CN2C3=CC=CC=C3N=N2)C4(CCCCC4)C(=O)NC5CCCC5 1 4.856 5 3 0 -22.5976448929951 1083743 C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 2.875 2 3 -17.7132088729532 1083700 COC1=CC=C(C=C1)OCC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.672 1 5 -5.76580336522416 1083697 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.03 5 6 0 -16.1612685923455 1083696 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=NC=C3 1 2.047 5 5 0 -12.0241065685249 1083695 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)O 1 2.955 4 6 0 -9.32951462073606 1083666 COC1=C(C=C(C=C1)C2(CCCC2)CNC(=O)CC3=CC=CC=C3)OC 1 4.078 1 3 -20.5105930622397 1083665 COC1=C(C=C(C=C1)C2(CCOCC2)CNC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)OC 1 4.259 1 4 -24.4101386332481 1083538 CC1=NC=C(N1CCOC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-] 1 2.455 3 4 0 -12.3354053509765 1083526 CC1=CC(=CC=C1)NC(=O)C2=C(N=C(S2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] 1 5.614 3 3 2.94822176571496 1083507 C1=CC=C(C=C1)NN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)Br 1 4.118 2 2 1.93081692723553 1083479 C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=CC=CC=C4N3CCC(=O)O 1 4.856 2 2 -9.61147475675559 1083470 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 2.158 3 3 -13.0167015041392 1083469 CS(=O)(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NS(=O)(=O)C 1 1.626 2 4 0 -4.33445778988235 1083465 C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)OC2=CC=C(C=C2)NC(=O)/C=C/C(=O)O 1 2.117 2 7 0 -2.88999171130932 1083409 CCCC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3 1 4.062 2 1 -3.88280064592454 1083376 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)Br 1 1.273 2 5 0 -11.6947457333206 1083330 CC(=C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC=CC=C3 1 4.004 4 2 -23.1451191208264 1083302 COC1=C(C=C(C=C1)C=NNC(=O)CCN2C3=CC=CC=C3C4=CC=CC=C42)OC 1 4.449 3 3 -9.23823783543371 1083266 C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)NCC4=CC=CO4 1 3.394 4 2 -16.1131290783377 1083260 CCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=CC=C3)C(=O)N4C=CC=C(C4=N2)C 1 2.211 4 3 0 -22.8039840418151 1083228 CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)O 1 4.496 2 2 -9.02541172030002 1083227 C1=CC(=CC=C1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)O)F 1 4.215 2 2 -8.59230836089761 1083226 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CO5 1 2.144 4 4 0 -21.9301983166694 1083213 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)S(=O)(=O)C5=CC=CC=C5)C=C1 1 2.104 4 4 0 -23.6050388083959 1083211 C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CN=CC=C5 1 1.325 5 3 0 -22.0204550036644 1083209 C1=CC=C2C(=C1)C(=C(O2)C(=O)NC3=CC=C(C=C3)Cl)N 1 3.127 2 2 3.94722462384384 1083208 C1=CC(=CC=C1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)O)Cl 1 4.674 2 2 -7.2034130297132 1083205 CCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)N4C=CC=CC4=N2 1 1.727 4 3 0 -19.7635068204731 1083204 CCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N4C=CC=CC4=N2 1 1.906 4 3 0 -17.9415081298863 1083203 CCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=CC=C3)C(=O)N4C=CC=CC4=N2 1 1.241 4 3 0 -20.6595164597093 1083196 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)C4=CN=CC=C4 1 3.041 3 2 -9.32285987677221 1083179 C1=CC2=NC(=C(C(=O)N2C=C1)C=O)NCC3=CC=CO3 1 0.35 3 3 0 -9.94685703278592 1083176 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)OC1=O 1 1.58 2 4 0 -12.4366695393574 1083159 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)F 1 3.184 5 5 0 -28.6298211758856 1083121 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)Cl 1 3.642 5 5 0 -27.5196995107641 1083064 CCC1=NN=C(S1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O 1 0.851 4 4 0 -12.4504595876136 1083058 CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=CC(=C(C=C3)O)O 1 4.355 1 3 6.20076436952895 1083056 CC1=CC=CC(=C1)C2=NC3=C(CCCC3)C(=N2)SCC(=O)N(C)C 1 4.024 3 1 -2.40187291690693 1083055 CC1=CC=CC(=C1)C2=NC3=C(CCCC3)C(=N2)SCC(=O)N 1 3.612 3 1 -1.07211507742143 1083053 CN(C)C(=O)CSC1=NC(=NC2=C1CCCC2)C3=CC=CC=C3 1 3.538 3 1 -5.98127037966779 1083050 CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CO3 1 2.771 5 2 0 -7.40968321724451 1083048 CC1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=CO3 1 3.095 4 2 -7.41048384114893 1083047 C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CO3 1 2.609 4 2 -5.00244520352999 1083046 CCC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)N(C)C 1 2.379 5 1 -11.7484406853823 1083045 CCC1=NC(=NN1)SCC(=O)NC2=CC=CC=C2OC 1 2.2 4 2 -12.6188690543249 1083038 C1=CC=C(C=C1)CCNC(=O)CSC2=NC=NN2 1 1.638 4 1 0 -16.4677399294989 1083029 CC1=C(C=CC(=C1)C(=O)CSC2=NC(=O)C=C(N2)N)F 1 2.182 3 2 -10.6646197311747 1083026 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2 1 2.295 1 5 -21.1500357010799 1083022 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)NC(C)C 1 0.925 3 6 0 -17.858720363622 1083019 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.873 2 6 0 -19.8108914185237 1083011 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 2.143 1 7 0 -13.8489424004188 1083010 CN(CC(=O)N1CCN(CC1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC 1 1.825 3 4 0 -6.61071102414471 1083005 CN(CC(=O)N1CCOCC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.229 2 4 0 -9.60280688992624 1082997 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.267 2 5 0 -18.1837013782941 1082996 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2 1 1.213 2 5 0 -10.655074202562 1082995 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2 1 1.213 2 5 0 -12.6539591521953 1082993 CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)OC 1 0.846 2 7 0 -23.3970177416959 1082989 C1=CC(=CC(=C1)CSC2=NC=NN2)C(=O)O 1 1.886 3 2 0 -12.0128955421674 1082987 CCN(CC)C(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 1.354 2 4 0 -22.1597820557036 1082986 CC(=O)NC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.148 3 5 0 -21.5400434914424 1082980 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 1.855 2 6 0 -18.3655902649553 1082978 CN(C1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)S(=O)(=O)C 1 3.463 3 3 -11.4568293212498 1082976 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)OC 1 1.313 1 7 0 -23.1447498486209 1082973 CC(C)(C)NC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 1.382 2 4 0 -24.0626128086703 1082971 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3 1 1.776 1 7 0 -11.0266383175523 1082969 CN(CC(=O)N1CCCC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.002 2 3 -7.68004192598257 1082968 CCOC(=O)N1CCN(CC1)C(=O)CNS(=O)(=O)C2=C(C=C(C=C2C)C)C 1 1.674 3 5 0 -9.45904710118735 1082967 CN1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.498 3 3 0 -5.27747406528189 1082964 CN(CC(=O)NC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=C(C=C3)OC 1 1.335 2 6 0 -12.6852521990583 1082958 CC(C)NC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 1.177 2 4 0 -25.4969041947665 1082957 CNC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 0.451 2 4 0 -20.3714993498825 1082955 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.821 2 5 0 -18.7261897659359 1082954 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.472 2 5 0 -17.2105211576866 1082946 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)OCC 1 1.195 2 7 0 -24.0123219754378 1082941 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 1 3.466 3 2 -10.0866518773747 1082936 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCCC3=CC=CC=C3 1 2.356 2 4 -22.5177102305135 1082935 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OCC(=O)OC 1 2.25 2 6 0 -18.3829110632211 1082934 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)O 1 0.873 1 5 0 -18.939023272134 1082933 C1CCC(=CC1)CCNC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.778 2 4 -25.2444478173325 1082930 CN(CC(=O)NCC1=CC=NC=C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.768 3 3 0 -11.4864178264153 1082927 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC(=O)NCC2=CC=CO2)C 1 2.024 2 4 -14.4202341131201 1082916 C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N 1 2.138 6 2 0 -7.78709159032896 1082908 C1CCN(C1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 3.109 2 2 -3.94334160891424 1082902 C1CCC(CC1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.3 2 2 -4.48574107510122 1082901 CNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.442 2 2 -2.8279218703092 1082900 C1CN(CCC1C(=O)N)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.236 2 2 -1.56551809842717 1082891 C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4 1 4.03 4 2 -18.4790014022518 1082888 COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)CC3=CC(=C(C=C3)OC)OC 1 2.748 1 5 -23.7373905330086 1082885 CC1=CC=C(C=C1)CSCC(=O)NCC2=CC=CO2 1 2.689 1 2 -14.92864265795 1082883 C1CCC(C1)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.36 2 2 -6.51206330597419 1082880 COC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.057 2 6 0 -11.2790393380055 1082877 COC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)C2=O)OC 1 2.502 2 4 -9.37676823130279 1082873 COC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)C2=O)OC 1 2.502 2 4 -8.61532778645093 1082871 CS(=O)(=O)N(CC(=O)N1CCCCC1)C2=CC(=CC=C2)F 1 1.335 2 3 0 -11.6890356505402 1082868 CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C 1 2.174 2 4 -6.7656092244325 1082867 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)OC 1 2.555 2 5 0 -19.2690217775689 1082865 COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCOCC2)C3=CC=C(C=C3)F)OC 1 1.649 2 6 0 -21.1938491863712 1082806 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)OC 1 2.205 1 7 0 -15.2817015694813 1082804 CC1=CC(=C(C=C1)C)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 3.36 2 4 -2.91399065340162 1082799 CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=CC=NC=C2 1 2.936 2 2 -3.41443863855912 1082798 COC1=CC(=CC(=C1OC)OC)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC 1 3.583 1 6 0 -5.62549247754401 1082797 CC1=CC(=C(C=C1)C(=O)NCC2=CC=CC=N2)Cl 1 2.836 2 1 -5.42059746193023 1082794 C1COCCN1CCNC(=O)C2=CC3=CC=CC=C3C=C2 1 1.772 2 2 0 -6.4943879624057 1082793 COC1=CC=C(C=C1)CC2=NC(=NO2)C3=CC=CC=N3 1 2.441 3 2 0.962621591872656 1082785 CC1=CC=CC=C1NC(=O)C2=CN=C(N=C2C)NC3=NC4=CC=CC=C4S3 1 3.664 5 1 -6.52046936236221 1082780 CCOC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C4=C(N3)CCCC4 1 3.088 5 2 0 -11.3742671853564 1082777 CC1=CC(=CC=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC(=C(C=C4)OC)OC 1 4.291 2 3 -1.69893213993169 1082776 COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C4=CC=CC=C4)OC 1 3.805 2 3 -3.00285259986106 1082775 COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C4=CC=CC=C4OC)OC 1 3.788 2 4 -2.61804131174671 1082773 COC1=CC=C(C=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC(=C(C=C4)OC)OC 1 3.788 2 4 -2.98574276495353 1082772 COC1=CC=C(C=C1)N2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4 1 4.112 2 2 -5.63586879430012 1082771 COC1=CC=CC=C1N2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4 1 4.112 2 2 -5.80241554477694 1082770 COC1=CC=CC(=C1)N2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4 1 4.112 2 2 -5.88795343967275 1082766 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=CC=CC=C3C(=O)O 1 2.596 1 6 0 -12.6434558685118 1082765 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.261 1 6 0 -16.9649690719394 1082764 CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)OCC(=O)N)C(=O)C 1 2.612 2 4 -6.5611499667076 1082763 CCOC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)OCC(=O)N)C(=O)C)C 1 2.961 2 4 -7.11798850979661 1082756 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4O)OC 1 4.473 2 4 -4.67949533145416 1082752 CCOC1=CC=C(C=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC(=C(C=C4)OC)OC 1 4.137 2 4 -3.84969581693594 1082750 CC1=CC=C(C=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC(=C(C=C4)OC)OC 1 4.291 2 3 -2.74154940471883 1082744 COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)OC(=N3)C4=CC=CC=C4F)OC 1 4.618 1 4 -4.5063903468722 1082742 COC1=CC=C(C=C1)C2=NC3=C(C(=CS3)C4=CC(=C(C=C4)OC)OC)C(=O)O2 1 4.396 1 5 -5.43547734571305 1082741 COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)OC(=N3)C4=CC=CC=C4)OC 1 4.413 1 4 -4.82719682693518 1082736 CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C4=CC=C(C=C4)OC 1 4.153 2 3 -1.67649277662076 1082733 CC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.986 1 6 0 -7.29965859937153 1082732 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)O 1 3.5 1 6 0 -7.77417501568673 1082731 CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)O 1 2.794 1 6 0 -12.4966887617888 1082730 CC1=C(SC(=C1C(=O)O)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C 1 2.613 1 6 0 -12.6015044218117 1082728 COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=CC=C3OC)OC 1 3.5 1 6 0 -7.44107073708476 1082723 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CC=C3C(=O)O 1 3.162 1 5 -17.0717053936398 1082716 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C 1 3.287 2 3 -8.84946883312031 1082711 CCOC(=O)COC1=CC2=C(C=C1)N(C(=C2C(=O)C)C)CC3=CC=CC=C3 1 3.837 1 4 -11.0206640355172 1082708 CC1=C(C2=C(N1CCC3=CC(=C(C=C3)OC)OC)C=CC(=C2)OC)C(=O)O 1 3.96 1 5 -7.11604060678002 1082707 CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O)C(=O)OCC 1 2.578 2 5 0 -18.9201823156342 1082704 C1=CN=CC=C1NC(=O)NC2=CC=NC=C2 1 0.221 4 1 0 -3.38405525792413 1082703 C1=CC=C(C=C1)NCC2=CC=NC=C2 1 2.071 2 0 -1.01521351102607 1082702 C1=CC=C(C=C1)NCC2=CN=CC=C2 1 2.071 2 0 -3.11149268718413 1082694 CC1=C(N(C(=N1)C2=CC=C(C=C2)OC)O)C(=O)C 1 -0.187 2 3 0 0.119342472145759 1082645 COC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32 1 1.313 2 4 0 -16.4150378796794 1082633 CC1(CC(CC(N1)(C)C)NCC2=CC=NC=C2)C 1 0.956 3 0 0 -3.54630181014166 1082619 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 2.194 2 4 -10.7404696595298 1082618 CS(=O)(=O)N1CCC(CC1)C(=O)N2CCC(CC2)CC3=CC=CC=C3 1 1.913 2 3 0 -11.8358222845559 1082617 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(F)(F)F 1 1.569 2 3 0 -6.30753500300675 1082616 CS(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 0.885 3 3 0 -11.7593513910638 1082614 CS(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 1.55 3 3 0 -7.09545304638639 1082609 CS(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 1.091 3 3 0 -10.7861711704563 1082608 CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC3=C(C=C2)OCO3 1 1.358 2 5 0 -15.2541791652424 1082605 CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)N2CCC3=CC=CC=C3C2 1 1.877 2 3 0 -14.9047457655199 1082596 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F 1 2.233 2 3 -10.020727143953 1082595 COC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C 1 0.61 2 4 0 -10.3162680994832 1082594 CS(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)C3=CC=CC=C3F 1 1.091 3 3 0 -10.9248368494075 1082589 CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC3=C(C=C2)OCCO3 1 1.376 2 5 0 -16.6994803188108 1082588 CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C(C)(C)C)N3CCOCC3 1 3.636 2 4 -11.4481525884685 1082583 CCC1=CC=CC2=C1N(C=C2C=C(C#N)C#N)CC(=O)N3CCCCCC3 1 4.096 4 1 -7.83704938645234 1082582 CCC1=CC=CC2=C1N(C=C2C=C(C#N)C#N)CC(=O)N3CCCCC3 1 3.64 4 1 -7.83704938645234 1082581 CCC1=CC=CC2=C1N(C=C2C=C(C#N)C#N)CC(=O)N3CCCC3 1 3.184 4 1 -7.48258087228427 1082295 CS(=O)(=O)N(CC(=O)N1CCCCC1)C2=CC(=C(C=C2)Cl)C(F)(F)F 1 2.736 2 3 -12.6860784555514 1082270 CC1=C(C(=CC=C1)C)N(CC(=O)N(C)CC2=CC=CC=C2)S(=O)(=O)C 1 2.768 2 3 -12.4743578340701 1082210 C1COCCC1(CNC(=O)C2=CC=C(O2)Br)C3=CC=CC=C3 1 2.726 1 3 -19.5090612738856 1082207 COC1=C(C=C(C=C1)C(=O)NCC2(CCCCC2)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-] 1 4.378 2 6 0 -22.8433870501498 1082202 CCSC1=NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)N1CC=C 1 5.399 2 1 -23.0503816037309 1082195 CCOC(=O)CC1=CSC(=N1)NC(=O)/C=C/C2=CC=CC=C2Cl 1 3.411 2 3 -7.95147338473637 1082178 CCN1C(=NN=C1SCC(=O)OC2CCCCC2)CNC3=CC=C(C=C3)Cl 1 4.647 4 2 -14.6706088613481 1082177 CCN1C(=NN=C1SCCN2CCCCC2)CNC3=CC=C(C=C3)Cl 1 4.137 5 0 -7.45951942223026 1082168 CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CNC3=CC=C(C=C3)Cl 1 5.329 4 0 -10.2194412600221 1082142 CC(C)OC(=O)CSC1=NN=C(N1C)CNC2=CC=C(C=C2)Cl 1 3.166 4 2 -15.2797807415731 1082130 CCN1C(=NN=C1SCC2=CC=CC=C2)CNC3=CC=C(C=C3)Cl 1 4.665 4 0 -10.2079372225842 1082047 CC1=C(C(=NN1CC(=O)N(C)CC2=CC=CC=C2)[N+](=O)[O-])Br 1 2.656 4 3 0 -14.3278713001582 1082045 CC1=C(C(=NN1CC(=O)NCC2=CN=CC=C2)[N+](=O)[O-])Br 1 1.3 5 3 0 -18.290907207224 1082042 CC1=C(C(=NN1CC(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])Br 1 2.613 5 3 0 -6.9930904650702 1082031 C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC=C(C=C4)C=O 1 5.476 2 2 2.77032662222452 1082051 CC1=C(C(=NN1CC(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])Cl 1 2.529 5 3 0 -6.25843520399071 1082009 C1=CC2=NC(=C(N2C=C1)C3=CC=CO3)N=CC4=CC=C(O4)C5=CC(=C(C=C5)Cl)[N+](=O)[O-] 1 5.812 4 4 0 2.67721140822085 1081993 C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] 1 5.231 3 4 0 -3.24938987790756 1081953 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.159 2 5 0 -23.1972477541849 1081950 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C)S(=O)(=O)N3CCOCC3 1 1.645 2 5 0 -22.9864913520504 1081947 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)C)S(=O)(=O)N3CCOCC3 1 1.645 2 5 0 -22.1650014678541 1081943 COC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3 1 1.403 2 5 0 -24.3130500573038 1081942 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3 1 2.109 2 6 0 -23.6942157298108 1081925 COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 2.067 2 5 0 -22.7281201573839 1081904 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCOCC3 1 1.535 2 6 0 -21.4997599661345 1081900 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=N2)S(=O)(=O)N3CCOCC3 1 1.294 3 4 0 -19.2028014982462 1081897 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br 1 4.147 2 2 -6.54144681881477 1081872 CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C(C2(C)C)SSC4=S 1 5.127 1 2 -19.7954919236442 1081845 CCN(CC)C(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2=CC=CO2 1 2.785 2 3 -9.20129160248657 1081844 CN1CCN(CC1)C(=O)C2=CC(=CC(=C2NC(=O)C3=CC=CO3)Cl)Cl 1 2.709 3 3 -1.15646397908907 1081843 CNC(=O)C1=CC=CC=C1NC(=O)C2=CC=CO2 1 1.217 2 3 0 -10.3613982725039 1081842 CCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 3.127 2 4 -10.8622972312143 1081839 CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CO3 1 3.791 2 4 -8.20396122934391 1081837 C1COCCN1C2=C(C(=NC=N2)Cl)N 1 0.567 4 1 0 1.11346097451227 1081818 C1CCN(C1)C2=C(C=C(C=C2)C=O)F 1 2.418 1 1 -1.28334535081767 1081814 COC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.499 2 5 0 -20.1357363513643 1081809 CCOC1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3NC(=O)C4=CC=CS4 1 3.212 6 3 0 -7.07436385789254 1081731 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N(C)C)C3=CC=CO3 1 2.951 5 2 0 -13.3775656206978 1081777 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3 1 1.376 2 5 0 -21.2056508079906 1081773 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3 1 2.474 2 4 -20.869691592309 1081769 CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC 1 2.68 2 4 -19.052164133448 1081768 COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=C3 1 2.515 2 4 -20.1242323139264 1081765 CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NCCC3=CC4=C(C=C3)OCO4 1 2.724 5 3 0 -8.83515893567598 1081754 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)NC3=CC4=C(C=C3NC(=O)C)OCCO4 1 0.588 6 5 0 -7.64993612196015 1081727 C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=CO4 1 4.643 3 2 -9.17517897081856 1081721 C1CN(CC2=CC=CC=C21)C(=O)COC3=CC=C(C=C3)F 1 2.943 1 2 -8.54890111598026 1081718 C1CC2=CC=CC=C2N(C1)C(=O)COC3=CC=CC=C3F 1 3.392 1 2 -8.25964729873221 1081717 CC1=C(C(=C(C=C1)C(=O)N2CCCC3=CC=CC=C32)F)F 1 4.248 1 1 -7.53642990587157 1081715 C1CC2=CC=CC=C2N(C1)C(=O)C3=C(C=CC=C3F)F 1 3.762 1 1 -8.29313986929359 1081714 C1CC2=CC=CC=C2N(C1)C(=O)C3=C(C(=CC=C3)F)F 1 3.762 1 1 -6.97880428010315 1081713 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=C(C=C3)F)F 1 3.762 1 1 -6.69008352111658 1081692 CN(CC(=O)NCC1=CN=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.768 3 3 0 -13.4853027760486 1081691 CN(CC(=O)NCC1=CC=CC=N1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.983 3 3 0 -13.1671669690871 1081559 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCSC4=NC5=CC=CC=C5N4 1 2.486 7 2 0 -7.83276919866203 1081556 CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC4=CC=CC=C4Cl 1 2.585 5 3 0 -11.5879120928465 1081555 CC(=C)CN1C2=C(N=C1N(CCO)CC3=CC=CC=C3)N(C(=O)NC2=O)C 1 1.885 5 3 0 -8.08351594971169 1081554 CCN(CC)CCNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C 1 2.769 6 2 0 -12.4777141573368 1081542 CC1=CC(=NO1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N 1 1.816 5 3 0 -23.0981486988511 1081540 C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)N 1 2.602 4 2 -17.5918985536044 1081531 C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)O 1 2.498 2 3 -1.78926108238658 1081529 COC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3SC2=O 1 2.724 2 3 -7.36926293809341 1081528 CC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3OC2=O)C 1 3.154 2 3 -7.46447134991141 1081526 CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43 1 2.028 3 4 0 -6.83435828040149 1081525 C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC(=CC=C3)OC(=O)C4=CN=CC=C4 1 2.478 3 4 0 -11.3833940016461 1081524 C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=C(C=C3)OC(=O)C4=CN=CC=C4 1 2.478 3 4 0 -11.5266646950058 1081508 CN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=C(C=C3)N 1 2.579 5 1 -13.1434895365377 1081484 CC1(CC2=CC(=C(C=C2C(=N1)C3=CC4=CC=CC=C4OC3=O)OC)OC)C 1 4.149 1 4 -3.29516533766784 1081456 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 -2.501 2 4 0 -15.6671753821228 1081414 CCCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=CC=NC=C3 1 1.955 5 2 0 -18.1595002541679 1081402 CCCN1C(=NN=C1SCC(=O)N(CC)CC)C2=CC=NC=C2 1 2.093 5 1 -16.3928897198243 1081378 C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4 1 2.452 5 2 0 -10.7833526959762 1081371 CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CC=NC=C4)C 1 2.76 5 2 0 -11.7136703599392 1081370 CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC3=CC=CS3)C4=CC=NC=C4 1 3.703 5 1 -18.0860408187148 1081357 CC(=O)NC1=NNC(=C1)C2=CC=C(C=C2)F 1 1.948 3 1 0 2.18045040421181 1081354 C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)C=C(N3)C4=CC=C(C=C4)Br 1 3.046 3 1 1.21792843702808 1081350 C1=CC(=CC=C1C2=CC(=O)N3C(=N2)C=C(N3)C4=CC=C(C=C4)F)[N+](=O)[O-] 1 2.398 4 3 0 -0.894018428892441 1081338 C/C(=C/CN1C2=C(N=C1NCCN(C)C)N(C(=O)N(C2=O)C)C)/Cl 1 1.102 6 2 0 -14.9599609271647 1081298 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=C(C=C4)Cl 1 1.653 6 2 0 -14.3866360276794 1081292 C1CN(CCC1C(=O)NC2=C(C=CC=C2F)F)C(=O)C3=CC=CS3 1 2.865 2 2 -8.24146459792592 1081285 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)N 1 -0.371 3 4 0 -13.9711367222463 1081283 CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C 1 1.777 2 3 0 -8.00943803177019 1081280 CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)C 1 1.599 2 3 0 -8.25911777499771 1081279 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)Cl)Cl 1 1.956 2 3 0 -7.36069652236298 1081278 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=CC(=C2)Cl)Cl 1 1.956 2 3 0 -8.97591668927579 1081272 CS(=O)(=O)N1CCC(CC1)C(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 1.962 2 3 0 -15.971624867214 1081269 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2 1 0.627 2 3 0 -10.0599560287124 1081268 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C(=CC=C2)Cl)Cl 1 1.956 2 3 0 -9.35241202515812 1081267 CC1=C(C=CC(=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C 1 1.777 2 3 0 -9.2945629215514 1081265 CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CS3 1 1.574 3 3 0 -10.804246256983 1081226 COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)O 1 3.993 2 3 -9.43837792944416 1081262 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=CS3 1 3.36 2 2 -3.24693657159569 1081261 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CN=CC=C3 1 2.256 3 2 -4.60214775744558 1081259 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=CC=C3F 1 3.612 2 2 -4.33560600530975 1081067 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C 1 1.88 3 4 0 -13.514313833095 1081051 COC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)S(=O)(=O)N3CCOCC3 1 0.591 2 6 0 -25.9246810820276 1081050 COC1=C(C=C(C=C1)C(=O)NCC2=CC=CS2)S(=O)(=O)N3CCOCC3 1 1.149 2 5 0 -26.6194462496622 1081048 CC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4 1 1.68 2 6 0 -24.4417707059197 1081043 CC(C)(C)NC(=O)CN1N=C(N=N1)C2=CC=CC=C2NC(=O)C3=NC=CN=C3 1 0.408 8 2 0 -14.9149879960861 1081041 CC(C)(C)NC(=O)CN1N=C(N=N1)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 1.676 6 3 0 -10.7635526314487 1081036 CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC3)Cl 1 3.179 2 3 -16.131060240789 1081029 CCOC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NCC3=CC=CO3 1 1.957 5 3 0 -28.6840013016998 1081026 CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=NN2C 1 0.6 5 2 0 -18.1117231326661 1081025 CN1C(=NN=N1)SCC(=O)NCC2=CC=CS2 1 0.607 5 1 0 -25.9374940227319 1081023 CN1C(=NN=N1)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42 1 3.243 5 1 -17.6122874932083 1081022 CN1C(=NN=N1)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 -0.235 6 3 0 -21.1957369889523 1081020 CN1C(=NN=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3 1 0.635 5 3 0 -24.7844961177799 1081014 CN1C(=NN=N1)SCC(=O)N2CCOCC2 1 -0.823 5 2 0 -22.1984336400372 1081013 CN1C(=NN=N1)SCC(=O)N2CCCC3=CC=CC=C32 1 1.597 5 1 0 -21.8845711538157 1081006 C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CO4 1 1.001 3 5 0 -9.95084876589454 1081005 C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)Cl)Cl)C(=O)C3=CC=CO3 1 2.561 3 3 -5.08959867609188 1080990 CC(C)(C)C(=O)NC1=NN=C(S1)C2=CC=CS2 1 2.849 3 1 -16.5128122213434 1080978 CCC(=O)NC1=NN=C(S1)C 1 0.352 3 1 0 -10.8008919991255 1080974 C/C=C/C(=O)NC1=NN=C(S1)C2CCCCC2 1 2.911 3 1 -7.77564843128795 1080952 C1=CC(=CN=C1)C2=NN=C(S2)NC(=O)C3=CC=CS3 1 1.816 4 1 0 -10.1430552278439 1080946 C1=COC(=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)F 1 2.614 3 2 -5.13071924920159 1080944 CC1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)NCC3=CC=CO3 1 2.351 4 2 -18.100179972857 1080943 CC1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)NC3=CC=CC=C3F 1 3.368 4 1 -13.8499588763666 1080942 CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)N3CCOCC3 1 1.257 4 3 0 -16.1052940753882 1080938 CC1=CSC(=N1)NC(=O)CSC2=NC=C(N2)C3=CC=CC=C3 1 2.526 4 1 -4.95647320195538 1080923 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC(=CC=C3)OC(F)F 1 4.871 4 1 -6.2413846772499 1080913 CC1(CC(=CC(=O)C1)NCCN2CCN(CC2)C(=O)NC3=CC=C(C=C3)Cl)C 1 2.441 4 2 -16.3308307493189 1080886 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.883 3 4 0 -16.2393378601706 1080861 CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(=O)N3CCOCC3)Br)C 1 2.888 1 6 0 -15.3770646230081 1080842 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCN(CC2)C3=CC=CC=N3 1 3.757 4 1 -5.43598104337367 1080841 COC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.707 3 2 4.04687862834623 1080831 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCN3C=NC4=CC=CC=C4C3=O 1 3.992 2 3 -4.60430803510591 1080740 C1COCCN1C(=O)OC2=CC=CC3=C2C=CC=C3OC(=O)N4CCOCC4 1 2.052 2 6 0 -5.50880081956759 1080737 CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)N3CCOCC3)C 1 2.07 3 2 -1.62001711115632 1080711 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C(=O)CC(C4)(C)C 1 3.436 3 3 -17.0132202463611 1080695 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4 0 -2.09777920920882 1080131 CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C(=O)CCC3=O)N4CCOCC4 1 2.111 3 4 0 -10.5394126290743 1080104 CCC1=NN=C(O1)SCC(=O)NC2=CC3=C(C=C2)OCO3 1 1.619 3 4 0 -21.1554830526033 1080100 CC1=NC=C(N1CC2=CC=CC=C2)[N+](=O)[O-] 1 1.786 3 2 0 -8.14020335882678 1080093 CC(=NNC(=O)CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)OC 1 3.346 2 2 -4.55525470061622 1080077 CC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2C 1 3.798 2 1 3.92144081112848 1080075 CC1=CC(=NN1C(=O)CCNC(=O)C2=CC=CC=C2Cl)C 1 2.328 3 2 -15.430982142339 1080054 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCN(CC3)C4=CC=CC=C4 1 1.934 4 2 0 -7.12223940415195 1080043 C1CN(C2=CC=CC=C21)C(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4 1 3.119 3 2 -18.4195816792117 1080040 CC1=CC=CC=C1NC(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3 1 3.325 3 2 -16.7845115296852 1080032 C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)Br 1 3.587 3 2 -13.6860668111952 1079997 CC1=CC(=C(C(=O)N1C2=CC(=CC(=C2)Cl)Cl)C#N)C 1 3.586 2 1 -1.74477589673093 1079976 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1079321 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)Cl 1 3.217 2 3 0.651406618456789 1079312 CS(=O)(=O)N(CC(=O)NCC1=CC=NC=C1)C2=C(C=CC(=C2)Cl)Cl 1 1.768 3 3 0 -15.0398040818828 1079302 CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=C(C=CC(=C2)Cl)Cl 1 2.914 2 3 -11.5503105795031 1079290 CC1=C(NC(=NC1=O)SCC(=O)NC2CCCCC2)C 1 2.332 3 2 -18.7084478868352 1079288 CC1=C(NC(=NC1=O)SCC(=O)NC2CCCC2)C 1 1.876 3 2 0 -18.3539793726671 1079287 CC1=C(NC(=NC1=O)SCC(=O)NCC2=CC=CO2)C 1 1.239 3 3 0 -21.1530352002387 1079281 CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O 1 1.171 3 7 0 -15.4436513647343 1079280 CC1=C(N=C(S1)N(CC2=CC=CO2)C(=O)C)C(=O)NC3=CC=C(C=C3)Cl 1 2.941 3 3 -4.98548024405683 1079187 CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCCC4=CC=CC=C43 1 4.159 1 4 -13.4279689881453 1079186 CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC4=CC=CC=C43 1 4.159 1 4 -14.6784373569342 1079176 CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)N(C)C4=CC=CC=C4 1 4.189 1 4 -9.95494855938829 1079161 COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)N4CCOCC4 1 2.299 1 6 0 -9.00498352474737 1079160 CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N3CCOCC3 1 2.86 1 5 -12.83889424374 1079159 CC1=CC=C(C=C1)C2=CSC(=N2)CC(=O)N 1 2.162 2 1 2.42515740161022 1079156 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N(CCO)CCO)C3CCCCC3)C 1 2.699 3 4 0 -26.6037310638525 1079153 COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.371 2 5 0 -3.99511584997043 1079152 CC1(CC(CC(N1)(C)C)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)C 1 2.942 2 2 -11.323662394704 1079149 CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NC3CCCCC3 1 2.642 3 2 -7.99564282458581 1079141 COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCC3 1 3.557 2 3 -2.38374593919643 1079139 C1=CC=C2C(=C1)C=CC3=C2N=C(N3)C4=CN=CC=C4 1 3.028 3 0 7.4121163556636 1079122 CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3 1 4.133 2 6 0 -21.374923371992 1079106 C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl 1 3.138 2 3 -19.4539445996235 1079071 C1CCC(CC1)NC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3 1 3.029 2 4 -16.9269006613352 1079070 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCCC3)Br 1 3.222 2 3 -18.5973114620351 1079067 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2OC)OC 1 3.043 1 6 0 -18.4711006912269 1079062 COC1=CC=C(C=C1)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCOCC3 1 1.356 2 5 0 -16.3005692772498 1079061 C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O 1 1.002 2 6 0 -17.9331633937288 1079048 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)S(=O)(=O)NCC3=CC=CO3 1 2.274 2 5 0 -14.0879767415277 1079046 C1=CC(=CN=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)Br)Br 1 3.448 3 3 -9.22740600667482 1079045 COC1=CC=C(C=C1)NS(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3 1 3.039 2 4 -3.98116615304674 1078976 CC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NN=CC3=CC(=C(C=C3)OC)OC 1 2.766 4 3 0 -7.46205432410106 1078940 COC(=O)C1=CC(=CC(=C1)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)OC 1 4.304 2 5 0 -4.90469474539908 1078905 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CN=C3OC 1 2.349 4 4 0 -12.5368989216233 1078901 COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=NC=C3 1 1.481 3 4 0 -23.8845078396504 1078900 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=C(C=C3)F 1 2.111 2 4 -21.3778612814228 1078899 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=NC=C2 1 0.581 3 3 0 -10.430391359382 1078895 CCC(=O)NC1=C(N(N=C1C)C2=CC(=C(C=C2)C)C)C 1 3.244 3 1 -2.48724202101929 1078888 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NN=C(S3)CC(C)(C)C 1 3.477 4 2 -15.6775737589037 1078884 CC(C)(C)CC1=NN=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.814 4 3 0 -14.165497840291 1078838 CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)N(C3=CC=C(C=C3)O)C(=O)C4=CC=CC=N4 1 5.393 3 3 -10.0387970698889 1078769 CCC1=C(C=C(S1)C(C2C(=O)CC(CC2=O)(C)C)C3C(=O)CC(CC3=O)(C)C)[N+](=O)[O-] 1 3.372 1 6 0 -3.28613486737524 1078768 CC1=C(C=C(S1)C(C2C(=O)CC(CC2=O)(C)C)C3C(=O)CC(CC3=O)(C)C)[N+](=O)[O-] 1 2.705 1 6 0 -2.81934535422748 1078765 CC1=CC=C(S1)C(C2C(=O)CC(CC2=O)(C)C)C3C(=O)CC(CC3=O)(C)C 1 2.811 0 4 0.357130081803746 1078756 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=NN=C(S3)COC 1 2.961 4 3 0 -19.5783586647191 1078752 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 3.106 2 3 -22.5428893546488 1078751 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)CC(C)(C)C 1 1.753 4 3 0 -13.7498637976197 1078742 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCC3 1 3.447 2 2 -4.8825723759687 1078740 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NCCC3=CCCCC3 1 4.652 2 2 -10.6808659000106 1078738 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)C 1 3.602 2 4 -5.83029502288052 1078736 COC1=CC2=C(C=C1)C3=C(C2)SC(=N3)NC(=O)C4=CC=CC=C4 1 3.556 2 2 -0.967948212250483 1078732 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3CCCCCC3 1 4.639 2 2 -5.0705033279876 1078727 COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CS3)OC 1 3.319 2 4 -11.9141765415809 1078721 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3OC 1 3.884 2 3 -2.57773980466993 1078720 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 4.196 2 4 -11.60449453379 1078719 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.778 2 4 -5.75771178544454 1078718 CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C 1 4.371 2 3 -1.44226173730165 1078713 C1COCCN1C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)O)N4CCOCC4 1 0.511 6 4 0 -4.2600776762171 1078712 C1CN(CCC1C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 2.388 3 3 -17.7111367934599 1078708 C1CN(CCC1C(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 2.388 3 3 -15.7122518438267 1078702 CCOC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 3.127 2 4 -7.8930721326995 1078689 CC1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C 1 3.699 2 2 -6.61462239328543 1078686 C1CN(CCC1C(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 2.603 3 3 -17.3930009864984 1078684 C1CN(CCC1C(=O)N2CCOCC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 1.849 2 4 0 -15.3690572568001 1078681 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C 1 2.739 3 4 0 -5.16350180461727 1078678 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3 1 3.089 2 3 -9.08964699512063 1078676 C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5 1 2.392 3 4 0 -9.98554563679835 1078674 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)OC 1 4.212 2 3 -7.60637980542101 1078661 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N=C2C)C)C 1 1.881 3 2 0 -2.1696041584155 1078659 COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3 1 1.935 3 4 0 -10.9285193679782 1078658 CCN1C(=C(C(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)C)C 1 2.23 3 2 -4.44492019830985 1078655 COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)F 1 2.838 2 4 -22.3579129775355 1078654 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=NC=C3)OC 1 2.421 3 4 0 -12.6460402749623 1078637 C1=CC(=CC(=C1)Cl)NC2=NC(=CS2)CC(=O)O 1 2.497 2 2 2.34856297649535 1078633 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCCC3 1 2.273 2 4 -18.6201573265064 1078594 CCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=CC3=NSN=C32 1 2.63 3 4 0 -11.7283978220429 1078583 CCOC(=O)CC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)Cl 1 1.413 3 3 0 -4.75840833615705 1078576 CCOC(=O)CC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=C(C=C3)C 1 1.505 3 3 0 -7.2703185426706 1078574 CCOC(=O)CC1=CC(=O)N2C(=N1)C(=C(N2)C)C3=CC=C(C=C3)Cl 1 1.927 3 3 0 -8.11838087766499 1078573 CCOC(=O)CC1=CC(=O)N2C(=N1)C(=C(N2)C)C#N 1 -0.377 4 3 0 -12.9230006987047 1078569 CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N3CCOCC3 1 3.174 2 3 -8.10320360300857 1078565 COC1=CC=CC=C1C(=O)NC2=CC=CC=C2N3CCOCC3 1 2.448 2 3 -8.42376466742191 1078563 C1COCCN1C2=CC=CC=C2NC(=O)COC3=CC=C(C=C3)Cl 1 2.964 2 3 -5.0783949776262 1078557 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4C=C3 1 3.373 2 2 -3.95442058280634 1078555 CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N3CCOCC3 1 2.797 2 3 -7.66823467471794 1078543 CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 2.434 5 2 0 0.96526184036517 1078538 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCC5(CC4)OCCO5)C 1 2.795 5 2 0 -1.25611068941024 1078530 CC1=C(N=C2C(=C1C)C(=C(S2)C(=O)NC3=CC=C(C=C3)C(=O)C)N)C 1 3.064 3 2 -8.38335472179588 1078517 CCC(=O)N(CC1=CC2=C(C=C(C=C2)C)NC1=O)C3=CC=CC=C3OC 1 3.259 2 3 -11.2502965326596 1078495 CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 2.895 2 3 -10.6751104788104 1078371 CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 3.036 4 3 0 -12.595974214896 1078336 C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 1 2.07 6 2 0 -0.386096374881636 1078331 C1COCCN1CCNC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Cl 1 3.469 4 1 1.01495737827385 1078330 COC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCOCC4 1 1.198 3 4 0 -11.3450610859236 1078328 CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCOCC4)C 1 2.187 3 3 -8.41565016258764 1078325 C1COCCN1C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Cl 1 1.879 3 3 0 -9.11009618619261 1078322 CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCOCC4 1 1.7 3 3 0 -10.9320948767794 1078318 C1COCCN1C(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4 1 1.506 3 3 0 -13.4112455171289 1078314 C1COCCN1C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4 1 1.214 3 3 0 -11.4066112930946 1078308 CC1=CC=CC=C1CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NC4=CC=CC=C4OC)C 1 4.358 3 3 -17.5412875204177 1078306 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4OC 1 2.925 4 4 0 -22.2135692903384 1078302 CC1=C(SC2=C1C(=O)N(C=N2)CC=C)C(=O)NC3=CC=CC=C3OC 1 2.905 3 3 -20.2547771747664 1078301 CCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC=CC=C3OC)C 1 3.161 3 3 -17.3286128213346 1078300 CC1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NC4=CC=CC=C4OC)C 1 4.358 3 3 -14.6458345535225 1078286 CC1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NC4=CC=CC=C4OC)C 1 4.358 3 3 -15.3786185849566 1078277 CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCC3)C(=O)NC4=CC=CC=C4 1 2.488 4 3 0 -20.992403574841 1078211 COC1=CC(=C(C=C1)OC)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3 1 3.125 3 3 0.289903673931747 1078210 CCOC1=CC=CC=C1N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3 1 3.49 3 2 -2.72016902524252 1078203 CC1=C(C(=C(C=C1)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C 1 3.784 3 4 0 -8.10267365702857 1078202 CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3 1 3.298 3 4 0 -7.09298353778337 1078201 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C 1 3.298 3 4 0 -6.65418419800079 1078199 CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3 1 3.298 3 4 0 -10.2525710650618 1078195 C1=CC=C(C(=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)Cl 1 2.99 3 4 0 -8.50425384943064 1078194 CC1=C(C=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C 1 3.298 3 4 0 -7.94161584339581 1078193 CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C 1 3.298 3 4 0 -8.0036772073339 1078192 CC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3 1 3.52 3 4 0 -7.47224416157847 1078189 CCC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3 1 3.268 3 4 0 -7.99514199400919 1078185 CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3 1 2.812 3 4 0 -7.75570385823011 1078184 CC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3 1 2.812 3 4 0 -6.76125529561609 1078178 COC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)OC 1 2.458 3 5 0 -10.2176257517758 1078173 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.819 3 3 -3.33420171953422 1078172 CC1=CC(=C(C(=C1)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C 1 3.949 3 3 -8.66616949720076 1078169 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl 1 3.155 3 3 -5.05914608104042 1078163 C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CS2 1 2.275 1 3 -10.4981985140087 1078143 CC1=C(SC(=C1C(=O)N2CCN(CC2)C)NC(=O)C3=CC=CC=C3)C 1 2.404 3 2 -10.4259893171386 1078124 CCC1=CC=CC2=C(C(=CN=C21)C(=O)OCC)NCCN3CCOCC3 1 2.798 3 3 -7.24525258906189 1078123 CCOC(=O)C1=CN=C2C(=C1NCC3=CC=CO3)C=CC=C2C(=O)OC 1 2.649 2 5 0 -6.68915600991301 1078112 COC1=C(C=C(C=C1)CCN2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3)OC 1 2.012 4 4 0 -14.4267873358682 1078109 CC1=C(C(=CC=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C)C 1 3.257 3 5 0 -9.42766911930722 1078094 CCOC(=O)CC1=CSC(=N1)NC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 2.63 2 6 0 -15.5806812731712 1078087 CC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O 1 2.425 2 4 -0.825061377071708 1078052 C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4F 1 3.267 6 1 0 -18.2320515127918 1078051 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3F 1 1.762 6 2 0 -23.5982427462137 1078050 COC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=CC=C3F 1 2.625 5 2 0 -24.1084527540281 1078049 COC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3F 1 2.625 5 2 0 -20.8212912186046 1078044 CCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)NC(=O)C 1 2.499 6 2 0 -23.3306981287604 1077931 CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=CO3)C(=O)C4=CC=CO4 1 2.856 2 4 -11.0588327025572 1077898 CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 1 2.791 4 3 0 -27.8147992802392 1077895 CCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.981 2 4 -22.6182114109452 1077887 COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)C3=CC=C(C=C3)Br 1 4.115 2 4 -8.59402602136817 1077868 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CSC3=CC=CC=C3 1 3.425 3 2 -12.8111856486008 1077862 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC(C)(C)C 1 3.003 3 4 0 -18.032789175987 1077861 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4 1 2.739 3 4 0 -22.2416341256657 1077849 COC1=C(C=CC(=C1)SC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.718 2 4 -16.0915605328878 1077847 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CS3 1 2.18 2 3 -21.3736796149457 1077841 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3 1 2.683 2 3 -21.2350269354261 1077835 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.982 3 5 0 -15.0564680701431 1077813 CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.313 3 4 0 -21.2190049318726 1077808 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)OC)OC 1 2.999 3 4 0 -14.2054024933211 1077807 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)OC)OC 1 2.999 3 4 0 -16.1346634872058 1077806 COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)OC)OC 1 2.999 3 4 0 -11.5870492136038 1077805 COC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC 1 2.159 2 5 0 -18.0680098120362 1077802 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3 1 1.902 2 4 0 -15.5469420582685 1077799 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)OC 1 1.855 4 4 0 -13.6173029557712 1077798 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl 1 2.536 4 3 0 -11.3823380560402 1077797 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 2.101 2 4 -11.5975837720587 1077792 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.879 2 5 0 -12.7224270066681 1077791 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.79 3 6 0 -14.4038585848812 1077773 C1=CC(=NC=C1Cl)NC(=O)NC2=NC=C(C=C2)Cl 1 2.628 4 1 -1.52565014761138 1077764 CC(C)(C)N1C=NC2=C1C=CC(=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 3.218 3 4 0 -9.32120405985263 1077758 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.547 3 4 0 -6.49713178234465 1077757 COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4 1 3.599 3 3 -8.174366726754e-002 1077750 CN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C 1 1.73 6 2 0 -12.1019550435175 1077742 CN1C2=C(N=C1OCC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)F)C 1 2.647 5 3 0 -4.61235122299479 1077699 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl 1 3.361 2 3 -20.0028373547873 1077698 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3 1 1.546 3 3 0 -21.1620873247132 1077691 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=C3 1 3.018 2 3 -19.7112661047822 1077690 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.985 2 5 0 -23.3075321375158 1077682 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)OC 1 2.657 2 5 0 -16.7171062533086 1077681 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.458 2 5 0 -14.3435570695376 1077666 C1CN(CCC1C(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.875 2 3 -17.6320141384966 1077636 CC1=CC(=C(C=C1C(=O)C)F)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)F 1 3.345 2 3 -6.62571423756125 1077634 CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3F)F 1 3.526 2 3 -6.69231822556542 1077633 CC1=CC(=C(C=C1C(=O)C)F)N2CCN(CC2)C(=O)COC3=CC=CC=C3F 1 3.345 2 3 -7.65423091095536 1077632 CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3F)F 1 2.859 2 3 -4.927044409882 1077631 C1CN(CCN1)C2=C(C=C(C(=C2)Cl)C#N)F 1 2.162 3 0 -3.17988186182618 1077624 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl 1 3.584 2 4 -9.06767941297406 1077623 CS(=O)(=O)N(CC(=O)N1CCCC1)C2=C(C=CC(=C2)Cl)Cl 1 2.002 2 3 -11.195842065335 1077622 CS(=O)(=O)N(CC(=O)N1CCC(CC1)C(=O)N)C2=C(C=CC(=C2)C(F)(F)F)Cl 1 1.293 3 4 0 -8.9841657441096 1077610 C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)C4=CC=CS4 1 4.601 1 3 -9.93127413477173 1077600 COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=CSC(=N3)NC4=CC(=CC=C4)O 1 3.458 2 4 8.81529268607953 1077596 C1COCCN1C(=O)OC2=CC3=C(C=C2)C=CC(=C3)OC(=O)N4CCOCC4 1 2.052 2 6 0 -4.25581509653221 1077538 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)C(=O)NCC5=CC=CO5)C=C1 1 1.868 5 3 0 -26.6159396319809 1077537 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)C(=O)NCC5=CC=CO5 1 1.868 5 3 0 -26.2908093804111 1077536 C1CCC(C1)N2C3=C(C=C(C2=N)C(=O)NCC4=CC=CO4)C(=O)N5C=CC=CC5=N3 1 1.421 5 3 0 -25.9345030060154 1077532 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCCC4)C(=O)NC5CCCC5 1 2.961 5 2 0 -22.0577691430531 1077531 C1CCC(CC1)N2C3=C(C=C(C2=N)C(=O)NC4CCCC4)C(=O)N5C=CC=CC5=N3 1 2.514 5 2 0 -21.7014627686574 1077525 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCCC4)C(=O)NCC5=CC=CO5 1 2.324 5 3 0 -26.6452778945792 1077518 CCCN1C2=C(C=C(C1=N)C(=O)NC3CCCC3)C(=O)N4C=CC=C(C4=N2)C 1 1.975 5 2 0 -20.5148560547298 1077496 CCCN1C2=C(C=C(C1=N)C#N)C(=O)N3C=C(C=CC3=N2)C 1 1.243 5 1 0 -19.1575430111161 1077468 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4CCOCC4)C(=O)NC5CCCC5 1 0.991 6 3 0 -22.9585147459002 1077467 C1CCC(C1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCCN5CCOCC5 1 0.545 6 3 0 -22.6022083715045 1077464 C1COCCN1CCCN2C3=C(C=C(C2=N)C(=O)NCCC4=CC=CC=C4)C(=O)N5C=CC=CC5=N3 1 1.047 6 3 0 -25.09635505159 1077454 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4CCOCC4)C#N 1 0.26 6 2 0 -21.2760714507167 1077435 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)C(=O)NC5CCCCC5)C=C1 1 1.991 6 2 0 -20.5944040131699 1077433 C1CCC(CC1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CN=CC=C5 1 1.545 6 2 0 -19.9129673872044 1077411 COC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC4=CN=CC=C4 1 0.334 5 3 0 -17.8124047296357 1077346 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)C(=O)NC5CCCCC5 1 2.324 5 3 0 -21.1724209403661 1077345 C1CCC(CC1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CO5 1 1.877 5 3 0 -20.8161145659703 1077343 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)C(=O)NCCC5=CC=CC=C5 1 2.37 5 3 0 -23.4849272498263 1077328 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)C(=O)NCC5=CC=CO5)C=C1 1 1.231 5 4 0 -25.2232081037954 1077319 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)C(=O)OC 1 1.113 4 4 0 -19.0718582827974 1077317 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=CC=C4)C(=O)NC5CCCC5 1 3.007 5 2 0 -19.2325625869513 1077243 CC1=CC=CC=C1NC2=NC(=NC(=N2)N3C(=CC(=N3)C)C)N4C(=CC(=N4)C)C 1 4.217 8 0 0 -2.91546987948039 1077240 CC1=CC(=NN1C2=NC(=NC(=N2)N(C3=CC=CC=C3)C4=CC=CC=C4)N5C(=CC(=N5)C)C)C 1 5.513 8 0 0 -1.44420322860575 1077236 CC(=O)C1=CC=C(C=C1)NC2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N 1 5.1 4 1 -14.6795619932378 1077234 COC1=CC=C(C=C1)NC2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N 1 5.344 4 1 -10.0591693670653 1077226 C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)N5CCN(CC5)C6=CC=CC=N6)C#N 1 4.991 6 0 -7.51527387320801 1077186 C1=CC=C2C(=C1)C(=O)N(C2=O)CN(C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4[N+](=O)[O-] 1 3.583 3 5 0 -8.73761705495252 1077179 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 2.472 2 6 0 -14.5436786363834 1077080 C1CCN(CC1)C2(CCN(CC2)C(=S)NCCC3=CC=CC=C3)C(=O)N 1 3.049 4 1 -14.3608669071001 1077079 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C(=O)N)N3CCCCC3 1 3.203 4 3 0 -17.8149947123963 1077078 CC1=C(C=CC(=C1)Cl)NC(=S)N2CCC(CC2)(C(=O)N)N3CCCCC3 1 4.15 4 1 -11.8612681267279 1077075 CC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)(C(=O)N)N3CCCCC3)C 1 3.972 4 1 -14.5944233490594 1077074 CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)(C(=O)N)N3CCCCC3)C 1 3.972 4 1 -10.8258229801742 1077072 COC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)OC 1 3.291 3 4 0 -15.1421818683365 1077071 CC1(CC(CC(N1)(C)C)NC(=S)NC2=CC(=CC(=C2)OC)OC)C 1 3.219 3 2 -16.1372382830754 1077064 C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC(=CC=C3)OC(=O)C4=CC=NC=C4 1 2.478 3 4 0 -9.65691096714158 1077054 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4F)F 1 4.682 2 1 -3.35119035548964 1077053 COC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.171 2 4 -9.02385948598542 1077044 CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCOCC3 1 1.071 3 3 0 -15.7225921363111 1076909 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)CNC3=CC=C(C=C3)OC 1 3.243 5 2 0 -15.8781081187203 1076906 CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O 1 3.788 3 3 -13.6990126281856 1076850 CC1=CC(=CC(=C1)N(CC(=O)N2CCCC2)S(=O)(=O)C)C 1 1.646 2 3 0 -13.0798918565731 1076846 COC1=CC(=C(C=C1)OC)N(CC(=O)N2CCCC2)S(=O)(=O)C3=CC=CC=C3 1 2.217 2 5 0 -14.9879852246833 1076842 CC1=CC(=CC=C1)N(CC(=O)N2CCCC2)S(=O)(=O)C 1 1.159 2 3 0 -12.4934426867295 1076831 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC(=C(C=C2)OC)Cl 1 3.139 1 5 -12.6793089475416 1076825 CC1=CC(=CC=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C 1 0.386 2 4 0 -14.4162076506731 1076768 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C4=CC=CC=C4C(=O)O 1 4.671 1 3 -5.74518065993905 1076757 COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)OC 1 4.313 2 3 -12.2268528896544 1076756 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCC2)C3=C(C=CC(=C3)OC)OC 1 2.703 2 5 0 -14.0919755854471 1076744 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1Cl)C2=CC=C(C=C2)Cl 1 2.912 2 3 -11.197635840015 1076740 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C(=O)O 1 2.241 1 6 0 -6.85053472561538 1076737 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)Br 1 3.239 3 3 -8.66059595842468 1076720 C1=CC(=CC=C1/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)F)OC3=NC=C(C=C3)[N+](=O)[O-] 1 3.97 4 4 0 -13.0263422701893 1076716 CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 3.135 2 3 -18.8160681565515 1076709 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 2.715 2 6 0 -11.5087834934717 1076701 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O 1 3.218 2 5 0 -8.24578234315148 1076698 CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 3.135 2 3 -17.4920276416234 1076697 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCC2)C3=C(C=CC(=C3)Cl)OC 1 3.384 2 4 -12.3329339122187 1076684 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C 1 1.585 6 4 0 -16.1044751449489 1076679 CNS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)NC 1 1.212 2 5 0 -4.96562293892774 1076676 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)Cl 1 3.125 3 3 -0.753179917175593 1076675 C1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.93 2 3 -20.8853656581911 1076673 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3 1 2.655 2 3 -22.6139353330766 1076661 CC(=C)CNC(=S)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 5.409 3 0 -16.4190724953857 1076659 CCOC(=O)C1=C(N=C2CC(CC(=O)C2=C1C3=CC=C(C=C3)Cl)(C)C)C 1 4.335 1 3 -8.21415601693746 1076643 C1=CC2=C(C=C1C3=CC4=C(C=C3)C(=O)N(C4=O)CCO)C(=O)N(C2=O)CCO 1 0.334 2 6 0 -0.324199950215004 1076604 C1CCC(CC1)OC(=O)CSC2=NN=C(O2)CNC3=CC(=CC=C3)Cl 1 4.102 3 3 -13.3742751055194 1076601 C1=CC=C(C(=C1)CSC2=NN=C(O2)CNC3=CC(=CC=C3)Cl)Cl 1 4.785 3 1 -10.6410405040647 1076578 CC1=C(C=CC(=C1)OC)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.957 2 3 -7.35254853929837 1076577 CC1=C(C=CC(=C1)OC)S(=O)(=O)N2CCN(CC2)C 1 1.374 2 3 0 -8.42847996460508 1076575 COC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)Cl 1 3.224 2 3 -13.2466340559858 1076569 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.82 2 3 -12.5524189595325 1076568 CC1=CN(C=N1)S(=O)(=O)C2=C(C=CC(=C2)Br)Br 1 2.853 2 2 -4.65282253854846 1076567 C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Br)Br 1 3.817 1 2 -9.64604300060823 1076565 CC1=NC=C(N1S(=O)(=O)C2=C(C=CC(=C2)Br)Br)[N+](=O)[O-] 1 2.851 3 4 0 -4.99629137916632 1076564 CC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C)C 1 3.538 2 4 -13.6151555828287 1076555 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC(=C4)C(=O)O 1 -1.149 2 6 0 -15.7366443023631 1076552 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43)C 1 3.118 4 3 0 -5.88190186806933 1076550 C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.351 4 3 0 -8.25533170412551 1076545 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.351 4 3 0 -8.01927179864954 1076543 CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)OC)C 1 5.633 3 1 -7.15148925449153 1076542 CC1=C(C(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)OC)C 1 5.633 3 1 -4.19596043199648 1076541 CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)OC)C 1 5.633 3 1 -6.14857743173654 1076540 COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=CC=C3OC 1 4.644 3 2 -8.56516160254838 1076539 CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)OC)C 1 5.633 3 1 -7.9645608008816 1076534 COC1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)OC 1 3.47 2 4 -14.0969922672141 1076460 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C)S(=O)(=O)C 1 2.639 3 5 0 -12.0498368748206 1076458 CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C 1 2.449 2 6 0 -14.4229214215451 1076445 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCC3)OC 1 2.159 2 5 0 -15.2296417833863 1076438 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 1.313 3 4 0 -13.5758165841866 1076437 COC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 2.308 2 4 -15.5345823683227 1076432 CC1=CC=C(C=C1)N(CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C 1 1.855 2 5 0 -16.6060405193398 1076429 COC1=CC=CC=C1N(CC(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C3=CC=CC=C3 1 1.247 3 5 0 -17.4891461889735 1076422 COC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C 1 1.336 2 7 0 -18.1988604478345 1076413 C1CN(CCC1C(=O)N)C(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3 1 2.205 3 4 0 -11.0078271389284 1076398 CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C 1 1.79 3 5 0 -20.5002452893759 1076381 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3)Cl 1 3.256 2 4 -3.17912744648362 1076366 COC1=CC=CC(=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C 1 1.441 3 5 0 -19.6328735423247 1076359 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CN=CC=C2)C3=CC=CC=C3OC 1 1.976 3 5 0 -16.6185201894861 1076349 COC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C 1 1.441 3 5 0 -19.7340221376679 1076341 CCC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C 1 2.528 2 3 -13.2967245437991 1076335 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4OC 1 3.415 2 6 0 -20.0820591804111 1076323 COC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C 1 2.106 3 5 0 -19.0149962795685 1076320 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)OC 1 2.07 1 6 0 -11.1101750491871 1076300 CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=C(C=C3)OC 1 1.965 3 7 0 -16.9873849093396 1076264 CCN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C 1 1.667 6 2 0 -6.14116541059645 1076260 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)C(=O)O 1 1.489 2 5 0 -6.51729387841468 1076254 COC1=C(C=C2C(=C1)C(=O)N(C=N2)C3=CC(=C(C=C3C(=O)OC)OC)OC)OC 1 2.322 2 7 0 -10.827834664939 1076248 C=CCN(C1=NN=C(S1)C2=CC=NC=C2)C(=O)COC3=CC=CC=C3 1 2.521 4 2 -8.65651526916388 1076247 COC1=CC=C(C=C1)NC(=O)N(CC=C)C2=NN=C(S2)C3=CC=NC=C3 1 2.577 5 2 0 -6.46539824226697 1076245 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4S3 1 4.279 6 0 -2.7603344928894 1076242 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=C(C=C4)F 1 2.934 7 1 0 4.37221776580319 1076233 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 1.496 4 4 0 -11.9197660056064 1076222 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4CCN(CC4)C(=O)C5=CC=CO5 1 3.728 4 3 0 1.45015921816 1076213 CC1(CC(=O)C(=CNCC2CCN(CC2)C(=O)CC3=CC=CC=C3)C(=O)C1)C 1 1.816 2 3 0 -18.5867255229232 1076192 C1CC2=C(C1)SC3=NC=NC(=C23)N4CCN(CC4)C(=O)C5=CC=CC=C5 1 3.621 4 1 -8.19970454420345 1076189 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=CO3 1 2.678 3 3 -29.5946937292671 1076185 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)F 1 3.695 3 2 -22.756872177385 1076183 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3F 1 3.695 3 2 -24.8920133468763 1076182 COC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C 1 3.473 3 3 -23.8817154119944 1076158 CC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)C3=CC=CS3 1 3.994 2 2 -21.1875460859474 1076144 CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C 1 4.394 3 2 -29.980775410468 1076140 C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C43)SC5=C2CCC5 1 4.483 3 2 -36.7865071330819 1076122 CCC1=CC2=C(N=CN=C2S1)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O 1 4.087 4 2 -7.58967955016688 1076120 CC1=C(SC2=NC=NC(=C12)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O)C 1 3.906 4 2 -7.20808136067647 1076113 CC1=CC2=NC(=C(C=C2C=C1)C=C(C#N)C#N)N3CCCCC3 1 4.306 4 0 3.26466254894665 1076108 CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=NC=C3)OC 1 2.421 3 4 0 -14.0728297839752 1076107 CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=NC=C3)OC 1 2.421 3 4 0 -10.9184462758226 1076086 CCC1=NC(=O)C=C(N1)C2=CC=CC=C2 1 1.668 2 1 0 -4.71547969738531 1076057 COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)OC 1 2.363 2 5 0 -18.3801675498848 1076051 CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NC2=NC3=CC=CC=C3N2C 1 3.544 4 2 -14.6455976544139 1076035 COC1=C(C=C(C=C1)CCN2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4)OC 1 3.966 2 4 -4.99192883934344 1076034 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3)OC 1 3.089 2 5 0 -14.9248757325418 1076028 CC1=C(C=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C)C 1 3.584 2 1 -6.3519588125799 1076022 C1=CC=C(C=C1)C2=C(N(C3=C2C(=N)N(C=N3)CCO)CC4=CC=CO4)C5=CC=CC=C5 1 3.989 4 2 4.79101861281045 1076019 C1CCC(CC1)N2C(=NN=N2)SCC(=O)NCC3=CC=CC=C3 1 2.725 5 1 -32.1720146984696 1076007 C1=CC=C(C(=C1)NC(=O)C2=CC3=NC=CN=C3C=C2)Cl 1 2.743 3 1 -3.43705540479954 1076000 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)N(N=C4C)C5=CC=CC=C5 1 3.854 4 3 0 -22.4934297140825 1075991 COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=CC=CC=C3OC 1 4.644 3 2 -7.51980610209653 1075990 COC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3)OC 1 4.644 3 2 -9.61923499408169 1075987 COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)OC)OC 1 4.628 3 3 -9.98655861826174 1075986 CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)OC)C 1 5.633 3 1 -6.96164897812661 1075985 CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)OC 1 5.633 3 1 -6.98086138759761 1075984 COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 6.184 3 1 -14.5125477797038 1075983 COC1=CC=CC=C1NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 6.184 3 1 -16.4985149315313 1075980 CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3)C 1 5.7 3 0 -4.14241828607811 1075976 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NCCC4=CC=CC=C4 1 6.251 3 0 -15.6202033040317 1075975 COC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC 1 6.168 3 2 -17.3670654911447 1075974 C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NCC4=CC=CO4 1 5.112 3 1 -16.7390201025618 1075912 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC(=C(C=C4)C(=O)O)O 1 3.104 2 5 0 4.61394358718651 1075907 CC(=O)NC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O 1 2.837 3 3 0.179634650587398 1075906 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC=C(C=C4)N 1 2.97 3 2 5.45323945189396 1075903 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC=CC(=C4)C(=O)O 1 3.346 2 4 2.23762994154276 1075887 CC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC=N3 1 3.561 3 0 9.30520453733975 1075883 CCC1=C2COC(CC2=C3C(=C(OC3=N1)C(=O)C4=CC=CC=C4)N)(C)C 1 3.541 2 3 -9.87694835993505 1075874 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSCC4=CC=C(C=C4)Cl 1 3.617 2 3 -6.27371490637042 1075871 COC1=CC=CC(=C1)NC(=O)NC2=NN=C(S2)CC(=O)NCC3=CC=CC=C3 1 2.213 5 3 0 -16.8119691391684 1075860 COC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)NC3=CC=CC=C3F 1 2.946 4 3 0 -10.6101067811981 1075852 COC1=CC=CC(=C1)NC(=O)NC2=NN=C(S2)CC(=O)NC3=CC=CC=C3 1 2.206 5 3 0 -11.9787123758583 1075838 COC1=CC=CC(=C1)NC(=O)NC2=NN=C(S2)CC3=CC=CC=C3F 1 3.145 4 2 -10.1419856570695 1075835 COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F)OC 1 3.129 4 3 0 -13.9134690518503 1075824 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3.914 3 4 0 -3.95143488007273 1075247 COC1=CC(=CC(=C1O)OC)/C=C\2/C(=O)NN(C2=O)C3=CC(=CC=C3)Cl 1 2.641 2 5 0 -0.622383422530969 1075245 COC1=CC(=CC(=C1O)OC)/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)Cl 1 2.641 2 5 0 -1.1317896096113 1075214 CC(=C)C1=CC=C(C=C1)C(C)(C)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3 1 5.088 2 2 -9.75715043541689 1075213 CCCS(=O)(=O)C1=C2C=CC(=CN2C(=C1S(=O)(=O)CCC)C(=O)C3=CC=C(C=C3)F)C(=O)N 1 3.362 2 6 0 -13.897346428006 1075210 CCCS(=O)(=O)C1=C2C(=CC=CN2C(=C1S(=O)(=O)CCC)C(=O)C3=CC=C(C=C3)OC)N 1 3.392 2 6 0 -14.4275264678169 1075139 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC 1 3.824 4 3 0 -15.8623018314116 1075138 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C 1 2.918 4 3 0 -20.4104489889092 1075113 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NNC(=O)C3=CC=C(C=C3)Br 1 2.633 2 5 0 -10.1719539669251 1075107 COC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 1.868 2 6 0 -10.7814862726452 1075101 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)Cl 1 3.43 2 3 -6.41155470028798 1075100 COC1=C(C=CC(=C1)F)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.676 2 3 -7.7885791771987 1075099 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2)C 1 2.146 2 2 -4.15087347141526 1075097 C1=CC=C2C(=C1)C(=CC=C2Br)S(=O)(=O)NCC3=CN=CC=C3 1 2.83 2 2 -5.40430369176221 1075071 CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCC3 1 3.611 3 2 -21.2097609834785 1075037 C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)F 1 3.267 6 1 0 -16.8447787370819 1075034 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)F 1 1.762 6 2 0 -22.3793829675161 1075031 COC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)F 1 2.625 5 2 0 -22.7211799783181 1075030 COC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)F 1 2.625 5 2 0 -19.602431439907 1075028 COC1=CC=CC(=C1)N2C(=NN=N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4 1 2.206 5 4 0 -24.1310199491252 1075026 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC(=CC=C3)OC 1 1.54 6 3 0 -22.7792290628264 1075016 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC(=CC=C3)OC 1 2.16 5 3 0 -23.3039938568699 1075015 COC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC(=CC=C3)OC)OC 1 2.387 5 4 0 -24.5985170759408 1075013 COC1=CC=CC(=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3OC 1 2.404 5 3 0 -23.0496474512438 1074986 CC1=CSC(=N1)NC(=O)CSC2=NN=C(O2)CC3=CC=C(C=C3)OC 1 2.147 4 3 0 -19.8009135393655 1074929 C1=CC=NC(=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)F 1 4.221 3 3 -6.99159037945021 1074927 C1=CC=NC(=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)Cl 1 4.68 3 3 -5.34321004859489 1074920 C1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-] 1 5.252 3 3 -6.68070408457872 1074835 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CNC4=CC=CC=C43 1 2.764 3 3 -11.361385526799 1074767 C1CN(CCN1C(=O)COC2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3F 1 2.83 2 3 -6.04422852247107 1074759 CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.341 3 5 0 -9.06341264357062 1074744 C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.049 2 3 -10.9041508157583 1074743 C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)C4=CC=CO4 1 3.038 2 3 -1.28823619251253 1074731 COC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 3.61 2 4 -2.66263242577328 1074729 COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CS3)OC 1 2.045 2 4 -12.7443857949597 1074727 COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.838 3 6 0 -9.62165542391432 1074724 C1CN(CCN1C(=O)COC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.327 2 4 -17.9064333513771 1074719 C1CN(CCN1C(=O)COC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.992 2 4 -18.2445182816259 1074716 C1CN(CCN1C(=O)COC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 2.327 2 4 -18.3142089786445 1074709 COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3 1 1.779 2 5 0 -5.3680722179015 1074706 C1COCCN1C2=NC(=NC(=N2)NC3=CC(=CC=C3)F)N4CCOCC4 1 1.086 6 2 0 0.755326715334825 1074705 C1=CC(=CC(=C1)F)NC2=NC(=NC(=N2)Cl)Cl 1 3.296 4 0 2.08955378490615 1074697 CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)C4=CC=CC=C4 1 2.263 4 2 -8.72617603042804 1074696 C1=CC=C2C(=C1)C(=NS2(=O)=O)N(CC3=CC=CS3)C4=CC=C(C=C4)O 1 3.483 2 3 -2.17373358061161 1074695 COC1=CC=CC=C1N2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43 1 2.438 3 3 -1.97416271402025 1074073 CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2C(=O)C)OCCO3 1 2.626 1 4 -11.3453616110582 1074071 CC1=CC(=NC2=C1C=CC=C2N)C 1 2.038 2 0 3.11903077969972 1074070 C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)CCCC(=O)O 1 2.943 1 4 -14.2460567133347 1074063 C1=CC=C(C=C1)C(=O)COC(=O)CC2=CNC3=CC=CC=C32 1 3.269 1 3 -10.5036807896929 1074050 COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 4.87 3 5 0 -9.7906959641253 1073979 CC(C)(C)NC(=O)CSC1=NC(=C(C(=O)N1)CC2=CC=C(C=C2)OC)O 1 2.803 3 4 0 -22.6314313958979 1073978 COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)N3CCCCCC3)O 1 3.451 3 4 0 -18.3825622984297 1073977 CCN(CC)C(=O)CSC1=NC(=C(C(=O)N1)CC2=CC=C(C=C2)OC)O 1 2.775 3 4 0 -21.522276649147 1073973 C1COCCN1C(=O)CSC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O 1 1.325 3 4 0 -16.8179112518972 1073972 COC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O 1 3.448 3 4 0 -17.856852485171 1073970 C1COCCN1C(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O 1 1.782 3 4 0 -20.3527074438408 1073968 C1CCC(CC1)C2=C(N=C(NC2=O)SCC(=O)NC3=CC=C(C=C3)F)O 1 3.887 3 3 -14.3121254890648 1073967 C1CCC(CC1)C2=C(N=C(NC2=O)SCC(=O)NC3=CC=CC=C3Cl)O 1 4.346 3 3 -15.0233382431039 1073963 C1CCC(CC1)C2=C(N=C(NC2=O)SCC(=O)N3CCOCC3)O 1 1.998 3 4 0 -18.008257599362 1073957 CC(C)CCC1=C(N=C(NC1=O)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)O 1 3.892 3 5 0 -25.6695969096502 1073945 CC(C)CCC1=C(N=C(NC1=O)SCC(=O)N2CCCCCC2)O 1 3.599 3 3 -19.3909644937097 1073942 CC(C)CCC1=C(N=C(NC1=O)SCC(C)C)O 1 4.152 2 2 -13.5059177381378 1073941 CC(C)CC1=C(N=C(NC1=O)SCC(=O)NC2=CC3=C(CCC3)C=C2)O 1 4.197 3 3 -18.2841335901039 1073930 CC(C)C1=C(N=C(NC1=O)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)O 1 2.979 3 5 0 -24.1957131191718 1073918 CC(C)C1=C(N=C(NC1=O)SCC(=O)N2CCOCC2)O 1 1.001 3 4 0 -19.4853771530069 1073906 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=CC(=O)N2)O)OC 1 1.825 3 5 0 -23.3924981650588 1073879 COC1=CC=CC=C1NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O 1 3.448 3 4 0 -21.1440140205945 1073876 C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CO3)NC(=O)C4=CC=CO4 1 3.292 2 6 0 -10.8545634093909 1073873 C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.285 2 3 -9.91411009037158 1073872 C1=COC(=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)CC4=CC=CS4 1 3.222 3 3 -4.79097719713986 1073859 CC(=O)C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2SCC(=O)O 1 3.488 2 4 -16.0303870671874 1073858 CCOC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2SCC(=O)O 1 4.081 2 4 -13.496666063911 1073796 COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)C(F)(F)F)C(=O)OC)C3CC3 1 2.812 1 4 -6.27065863812151 1073731 CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NC3=C(C=CC=N3)C 1 3.433 2 3 -6.50438873271349 1073734 CC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C 1 3.738 2 3 -8.29667919346289 1073736 COC1=C(C=C(C=C1)Br)S(=O)(=O)NCC2=CC=CC=C2 1 3.056 1 3 -4.14941383711173 1073683 CC1=CC(=C(C=C1)C)OCCN2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NCC4=CC=CO4 1 5.214 3 3 -14.036825701257 1073636 C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=CO3)C4=CC=CC=C4 1 4.251 4 2 6.02832311288266 1073627 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)C#N)/C=C(\C#N)/C(=O)NCC4=CC=CS4 1 4.63 4 1 -16.0996860801006 1073618 COC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NCC4=CC=CS4 1 4.783 3 3 -19.4463294796678 1073612 C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NCC4=CC=CS4)C#N 1 4.63 4 1 -14.5751887444033 1073607 CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NCC3=CC=CS3 1 4.077 2 4 -17.3679203945763 1073585 C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)F)/C=C(\C#N)/C(=O)NCC4=CC=CO4 1 4.398 3 2 -12.923903198054 1073577 COC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NCC4=CC=CO4 1 4.225 3 4 0 -18.7515643120332 1073575 COC1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NCC4=CC=CO4 1 4.225 3 4 0 -15.5193498259296 1073569 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=C(\C#N)/C(=O)NCC3=CC=CO3 1 2.907 3 4 0 -17.1492061746111 1073564 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)/C=C(\C#N)/C(=O)NCC4=CC=CO4 1 4.398 3 2 -13.5338775586335 1073562 C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NCC4=CC=CO4)F 1 4.398 3 2 -14.4662974215466 1073560 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NCC4=CC=CO4 1 4.193 3 2 -15.2289824858908 1073349 COC1=C(C=C(C=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC=CC=C3)C(=O)OC)OC 1 2.931 1 6 0 -14.8395180755689 1073346 COC1=CC=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CSC=C3)C(=O)OC 1 2.609 1 5 -10.3055705576413 1073338 CC1=CC=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC 1 3.4 1 7 0 -11.1541143231543 1073334 COC1=CC=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC=CS3)C(=O)OC 1 2.69 1 5 -10.6328080304228 1073328 COC1=CC(=CC(=C1OC)OC)C2C(=CN(C=C2C(=O)OC)CC3=CC=C(C=C3)F)C(=O)OC 1 3.12 1 7 0 -10.4422372976891 1073222 CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N(C)CCO 1 1.562 3 4 0 -13.678954479148 1073214 CC1=NNC(=NC1=O)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.13 4 2 -11.1966139946426 1073208 COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3F 1 2.625 5 2 0 -21.5691596123859 1073207 COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC4=C(C=C3)OCCO4 1 2.825 4 4 0 -18.7980245470786 1073205 COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3N4CCOCC4 1 2.27 6 3 0 -22.8490241836063 1073203 COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC(=CC=C3)O 1 2.178 5 3 0 -17.7825456308906 1073190 CC1=C(N2C=CC=CC2=N1)C(=O)NCC3=CC=C(C=C3)OC 1 2.056 3 2 -7.46944885216382 1073181 COC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 4.903 3 3 -5.34602057069067 1073178 COC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NCCC3=CC=CC=C3 1 3.16 3 3 -14.810857094217 1073158 COC1=C(C=C(C=C1)CCNC(=O)CN2N=C(N=N2)C3=CC=CC=C3F)OC 1 2.642 5 3 0 -13.4299549896917 1073148 C1COCCN1C2=CC=CC=C2NC(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)F 1 2.904 4 3 0 -12.1224045595783 1073145 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NCC3=CC=C(C=C3)OC 1 2.322 3 3 -10.2492689758154 1073127 CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC 1 3.76 3 3 -25.1288192955807 1073123 C1COCCN1CC(=O)NC2=CC=CC(=C2)N 1 -0.103 3 2 0 -6.18796578525435 1073049 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC(=O)NCC3=CC=NC=C3 1 2.714 3 3 -17.9831684453447 1073044 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC(=O)NCC3=CC=CO3 1 3.047 2 4 -19.4774781156147 1073035 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2F)CC(=O)NCC3=CC=NC=C3 1 2.714 3 3 -17.0278151337525 1073019 CN(CC(=O)NCC1=CC=CC=N1)S(=O)(=O)C2=CC=C(C=C2)Br 1 1.403 3 3 0 -14.973736731729 1073012 CCOC(=O)N1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.086 3 5 0 -8.66534988633967 1073006 CN(CC(=O)NCC1=CC=CC=N1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.319 3 3 0 -13.5170769866275 1073003 CC1=C(C2=CC=CC=C2N1CC(=O)NCC3=CC4=C(C=C3)OCO4)C=O 1 2.645 2 4 -12.7751189015211 1072992 COC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CS3 1 3.336 2 3 -8.66706887082137 1072991 COC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CS3 1 3.336 2 3 -8.32777148555901 1072989 C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CO4 1 2.31 3 3 3.52112056415472 1072987 COC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CS3 1 3.336 2 3 -7.21633449689699 1072980 C1CCC(CC1)N(CC(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)F 1 1.75 3 4 0 -10.3559020691479 1072979 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCC(CC2)C(=O)N 1 0.173 3 4 0 -10.0978376319115 1072978 C1CCC(CC1)N(CC(=O)N2CCCC2)S(=O)(=O)C3=CC=CC=C3 1 2.532 2 3 -11.7021161154827 1072976 CN1CCN(CC1)C(=O)CN(C2CCCCC2)S(=O)(=O)C3=CC=CC=C3 1 2.028 3 3 -9.24544806691718 1072972 C1CCC(CC1)N(CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 2.63 2 4 -17.3468158121055 1072969 COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3CCCCC3)OC 1 2.265 3 5 0 -23.7119094069415 1072966 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CO2)C3CCCCC3 1 3.116 2 4 -16.3534119463446 1072950 C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2)SN=N3)F 1 2.993 3 1 -7.22438696662549 1072948 C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)SN=N3 1 2.696 4 1 -6.52918632457074 1072946 CC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)SN=N3 1 3.921 2 2 -9.45395147892305 1072944 C1CCC(CC1)NC(=O)NC2=CC3=NSN=C3C=C2 1 2.932 4 1 -3.80558778856877 1072943 CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SN=N3 1 3.12 3 2 -9.1154533529429 1072940 COC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)SN=N3 1 2.771 3 2 -11.3776689448686 1072939 C1CC1NC(=O)C2=CC3=C(C=C2)SN=N3 1 1.7 3 1 0 -10.4650674860327 1072937 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC4=C(C=C3)SN=N4 1 4.239 6 0 -11.4229589876266 1072935 C1COCCN1C2=CC=C(C=C2)NC(=O)NC3=CC4=NSN=C4C=C3 1 2.5 5 2 0 -0.633251419353315 1072934 CC(C)N(C(C)C)C(=O)NC1=CC2=NSN=C2C=C1 1 2.732 4 1 -0.690903774496888 1072933 CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SN=N3 1 3.274 3 1 -7.93626399209074 1072930 COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SN=N3 1 2.771 3 2 -8.34923020123487 1072926 C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SN=N3 1 2.787 3 1 -8.09291813046409 1072910 CC1=NC(=CN1CC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 1.021 4 5 0 -11.9757089440989 1072907 COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NCC3=CN=CC=C3 1 2.006 3 4 0 -22.0191057608918 1072898 C1CC1NC(=O)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 1 3.584 4 3 0 -3.01208406550786 1072891 CCOC(=O)N1CCN(CC1)C(=O)NC2=CC3=C(C=C2)N=C(C(=N3)C)C 1 1.39 5 3 0 -7.07564563852038 1072886 CC1=NC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)N=C1C 1 2.535 4 2 -3.91655256540962 1072882 C1COCCN1C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=N4)C5=CC=CC=N5 1 4.649 6 1 0 -11.1125154960635 1072881 C1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=N4)C5=CC=CC=N5 1 5.879 6 0 -9.5442190462879 1072879 C1COCCN1C(=O)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=N4)C5=CC=CC=N5 1 2.753 6 2 0 -5.89536288773912 1072843 COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)OC)OC 1 2.323 2 6 0 -11.5374448152341 1072842 C1CCC(C1)NC(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.655 2 2 -4.56602750075187 1072841 C1CC1NC(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.742 2 2 -5.07963368091902 1072840 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4 1 2.772 2 4 -8.38269236729917 1072833 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC 1 2.672 2 6 0 -10.8072846247164 1072829 C1CCC(CC1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3Cl 1 3.446 2 2 -9.26603368371687 1072827 CN1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC(=CC=C3)OC 1 1.07 3 3 0 -5.33654657314145 1072804 C1CCC(C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 2.99 2 2 -5.47217027234401 1072801 COC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC 1 2.779 2 5 0 -14.6587897187544 1072799 C1CCC(C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3Cl 1 2.99 2 2 -8.91156516954879 1072794 COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)OC 1 3.46 2 4 -12.3606299923145 1072789 C1CC1NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 2.078 2 2 -5.98577645251117 1072788 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)Cl)OC 1 2.835 2 5 0 -13.2011692068913 1072786 COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=C3)OC 1 2.796 2 4 -13.5610628945457 1072785 COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)N3CCOCC3)OC 1 0.784 2 5 0 -12.0791371362516 1072776 C1CCC(=CC1)CCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 3.916 2 2 -11.4370013585351 1072774 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4Cl 1 3.407 3 3 -5.22109141242252 1072771 CCOC(=O)C1=NN(C(=O)C(=C1C)C#N)C2=CC(=C(C=C2)C)C 1 3.164 3 3 -7.88602739128357 1072769 CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3CCCC3 1 2.812 2 2 -9.01290656173846 1072764 C1CC1NC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3Cl 1 2.078 2 2 -9.42517134971595 1072758 COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3CC3 1 1.397 2 3 0 -8.22074135224213 1072744 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)Cl 1 2.933 2 4 -3.39665492433629 1072740 COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 2.726 3 4 0 -4.43001414802211 1072736 C1CN(CCC1C(=O)N2CCOCC2)C(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.146 2 3 -6.30086151267664 1072735 C1CCC(CC1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl 1 3.446 2 2 -5.82663878651209 1072731 C1CN(CCC1C(=O)NCC2=CC=CO2)C(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.018 2 3 -8.93963968205298 1072709 CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=CC=C2C 1 3.444 3 3 -16.3754946324094 1072696 COC1=C(C=C2CN(CCC2=C1)C(=S)NC(=O)C3=CC=CC=C3)OC 1 4.073 2 3 -17.4524229094718 1072691 COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC 1 2.556 1 5 -17.8064349486457 1072674 CC1(CC(CC(N1C)(C)C)NC(=O)CCC(=O)NC2CC(N(C(C2)(C)C)C)(C)C)C 1 1.348 4 2 0 -9.11626158486894 1072663 COC1=C(C=C(C=C1)CN2C3=CC=CC=C3N=C2C4=CC(=C(C=C4)OC)O)O 1 4.543 2 4 5.46696367094899 1072636 CCN1C2=C(N=C1SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)N(C(=O)N(C2=O)C)C 1 1.061 7 4 0 -31.792587356451 1072635 CN(CCOC(=O)CN1C(=O)C2=CC=CC=C2C1=O)C3=NS(=O)(=O)C4=CC=CC=C43 1 1.213 3 6 0 -8.66450151699368 1072633 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC(=C(C(=C3)OC)OC)OC 1 1.566 4 5 0 -17.931282613259 1072632 CSC1=CC=CC=C1C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.518 2 3 -26.2718103167709 1072567 C1=CN(C(=C1)C=O)C2=CC=C(C=C2)O 1 2.515 1 2 4.84737216589568 1072563 CC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)CCOC(=O)C3=CC=CC=C3 1 2.693 4 4 0 -12.5685242604686 1072554 CN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C5=CC=CO5 1 4.51 4 2 -4.66301328809665 1072494 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC 1 2.084 4 4 0 -13.2385846129374 1072493 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 2.696 4 4 0 -7.74315227427845 1072488 CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N(CC)CC 1 3.413 1 4 -13.2422562713931 1072485 CCN(CC)C(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=C(C=C3)OC 1 3.308 1 5 -9.34774289748832 1072482 CN(C)C(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=C(C=C3)OC 1 2.611 1 5 -5.52911197890563 1072479 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OCC(=O)N(C)C 1 3.097 1 5 -2.43786486437612 1072460 C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=NC=CN=C3 1 3.259 2 3 -9.28132569255396 1072450 CC1=C(C=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C 1 3.36 2 4 -3.76262295901407 1072448 CCOC(=O)CC1=CSC(=N1)NC(=O)COC2=CC(=C(C=C2)C)C 1 3.087 2 4 -10.9999476005209 1072447 CC1=C(C=C(C=C1)OCC(=O)NC2=C(N=CC=C2)Cl)C 1 3.145 2 2 -5.26819967192208 1072434 CCC1=CC=C(C=C1)OCC(=O)NC2=CC=NC=C2 1 2.241 2 2 -5.02240643209826 1072404 COC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)OC 1 1.811 4 5 0 -13.8141839915579 1072359 CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCCC3=CC(=C(C=C3)OC)OC 1 2.3 3 4 0 -18.4343354992304 1072358 CC1=CC(=NN1C2=CC(=C(C=C2)Cl)Cl)C 1 3.813 2 0 -0.113202107829968 1072357 C1=CC=C(C=C1)CNC(=O)C2=NC=NN2 1 0.788 4 1 0 -9.0498871785891 1072346 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)NC4=NC=CS4 1 3.722 4 1 -4.87048227581794 1072271 CCCN1C(=O)C=CC(=N1)OC2=NC(=NC(=N2)N(C)C)NC(C)C 1 1.837 7 2 0 -13.205379041471 1072238 C1CN(CCN1CC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=CC=C3 1 3.43 2 2 -12.7278913120944 1072216 COC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3 1 3.332 2 5 0 -15.9126012753668 1072152 C1COCCN1CC2=C3C=CC=CC3=C(C4=CC=CC=C42)CN5CCOCC5 1 3.169 2 2 -2.07357967408309e-002 1072148 CC(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)C3=CC=C(C=C3)Br 1 3.675 0 3 4.5737271003049 1072091 COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3 1 1.897 2 4 0 -12.8795021071256 1072094 COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3 1 2.852 2 4 -5.31219456638043 1072096 CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl 1 2.946 2 4 -1.34187374177581 1072097 CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.341 3 5 0 -7.97156985443183 1072099 CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3 1 2.481 2 3 -7.85945619889384 1072100 COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC 1 3.61 2 4 -3.56178601637582 1072103 C1CN(CCN1C(=O)C2=CC(=CC=C2)F)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.86 2 2 -9.81539867802188 1072112 COC1=CC=CC=C1C(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4 1 2.879 3 2 -1.45293085939981 1072066 C1CN(CCN1C(=O)CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)Cl 1 2.659 2 3 -7.03190607092103 1072065 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43 1 2.984 2 5 0 -7.70790991129912 1072058 CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C(=O)CCC3CCCC3 1 3.154 2 3 -7.29366956629246 1072057 COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 2.311 2 5 0 -17.976442119752 1072040 C1CN(CCN1C(=O)COC2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=CO4 1 2.264 2 4 -4.45618551248254 1072029 CC1=CC=C(C=C1)OCC(=O)NCCC2=CNC3=CC=CC=C32 1 3.557 2 2 -11.1790368877665 1071980 CCOC(=O)C1=C(C2=C3CCN(CC3=C(N=C2S1)N4CCOCC4)C)N 1 2.026 4 3 0 -10.1065468228232 1071968 CCCN1C(=O)C=CC(=N1)OC2=NC(=NC(=N2)NC(C)C)NCC 1 1.98 7 2 0 -12.8465445048597 1071966 CCNC1=NC(=NC(=N1)OC2=NN(C(=O)C=C2)C)NC(C)C 1 1.107 7 2 0 -12.3967405956753 1071958 C1CCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4 1 2.728 3 3 -20.9868448953792 1071955 CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CO3 1 3.057 2 4 -21.620587885242 1071939 CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3OC 1 3.76 3 3 -26.3013139228938 1071938 COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCOCC4 1 2.75 3 4 0 -24.7298960219521 1071918 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)OC 1 3.205 3 3 -17.8304972192901 1071915 CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)OC 1 2.856 3 3 -17.0847411423454 1071911 CC1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 1.496 4 2 0 -17.2995124448138 1071908 C1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 1.244 4 2 0 -14.6104028409093 1071898 CCN1C(=NN=C1SCC(=O)NC2=NOC(=C2)C)C3=CC=CS3 1 2.485 5 2 0 -23.4001883326678 1071877 CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC=CS3 1 3.675 4 1 -18.4123923827892 1071876 CCN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC=CS3 1 1.664 4 2 0 -17.1254943058149 1071871 CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=CS3 1 3.628 4 1 -17.7252022074714 1071866 CN(C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CS3 1 3.204 4 1 -13.5438225931059 1071851 CCN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CO4 1 2.563 4 4 0 -16.2865968046598 1071796 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=NC=C4 1 1.68 5 3 0 -15.3920324836912 1071797 CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=NC=C4 1 2.028 5 3 0 -15.6337660511151 1071800 CCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=CC=NC=C3 1 1.431 5 2 0 -17.2604456321769 1071837 C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4 1 2.333 4 3 0 -13.0043541062093 1071835 CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=CO4 1 3.069 4 2 -15.0134363941286 1071820 CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CN=CC=C4 1 2.028 5 3 0 -17.0962240760291 1071819 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CN=CC=C4 1 1.68 5 3 0 -16.8544905086051 1071785 CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC=NC=C3 1 2.222 5 1 -15.0884867831243 1071783 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CC=NC=C4 1 2.274 5 2 0 -12.605351386563 1071779 CC1CCN(CC1)C(=O)CSC2=NN=C(N2C)C3=CC=NC=C3 1 1.692 5 1 0 -15.0197960868036 1071774 CN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=NC=C3 1 2.175 5 1 -14.4986908343313 1071758 CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC(=O)NC3CCCCC3 1 3.648 4 2 -15.7959483212096 1071757 CCN1C(=NN=C1SCC(=O)NC2CCCC2)COC3=CC=CC(=C3)C 1 3.54 4 2 -16.7142923499096 1071754 CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)N3CCC4=CC=CC=C43 1 3.646 4 2 -17.7057343293113 1071749 CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)O 1 3.771 3 4 0 -13.4640535350271 1071747 CN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC(=C(C=C3)OC)OC 1 1.329 4 4 0 -17.5513012774423 1071743 CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C)CC3=CC=CC=C3 1 2.708 5 1 -16.936879978177 1071739 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)CC3=CC=CC=C3 1 3.633 4 1 -17.1043228231511 1071736 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4 1 2.847 4 3 0 -17.3648157015188 1071722 CCN1C(=NN=C1SCC(=O)N2CCCCC2)CC3=CC=CC=C3 1 2.974 4 1 -17.0215833971633 1071721 CN1C(=NN=C1SCC(=O)N2CCCCC2)CC3=CC=CC=C3 1 2.626 4 1 -15.7487708542952 1071707 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4 1 2.948 5 3 0 -21.3748968539304 1071670 CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC=NC=C4)C=C1 1 4.059 4 0 -0.660737158982263 1071637 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCC3=CC=C(C=C3)Cl 1 4.616 2 3 -1.67429401086989 1071636 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCC3=CC=C(C=C3)Cl 1 4.092 2 3 -0.773118218404378 1071635 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCC3=CC=C(C=C3)Cl 1 3.743 2 3 -1.09460234818869 1071633 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCC3=CC=C(C=C3)OC 1 3.935 2 4 -3.90925891060085 1071631 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCC3=CC=C(C=C3)OC 1 3.062 2 4 -3.32956724791965 1071627 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=C3OC 1 3.614 2 4 -6.91684729888374 1071626 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=C3OC 1 3.09 2 4 -6.01567150641822 1071618 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC(=CC=C3)Cl 1 3.064 1 3 -5.17814785005864 1071417 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C 1 4.028 2 3 -8.54851604665326 1071416 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 2.935 2 3 -22.4760070252328 1071335 CC1=C(SC(=C1C(=O)N)NC(=O)CCC(=O)OC)CC2=CC=CC=C2 1 2.14 2 4 -15.1639188561418 1071332 COC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 1.918 3 5 0 -14.3069914706656 1071313 C1CCC(CC1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)N 1 1.72 6 2 0 -27.4777061576058 1071312 C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)N 1 1.438 6 2 0 -24.1258312265088 1071310 C1=CC(=CC=C1C(=O)N)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)F 1 1.644 6 2 0 -23.2573000626702 1071308 COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCCCC3 1 1.838 5 3 0 -24.3270437396385 1071305 C1CCC(CC1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O 1 2.348 5 3 0 -25.3751990424386 1071302 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCCN3CC4=CC=CC=C4C3=O 1 3.065 3 3 -18.4020897131351 1071294 COC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)OCC(=O)N3CCOCC3)OC 1 1.427 3 6 0 -15.7496962095072 1071284 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC(=O)NCC3=CC=CC=C3)C4=CC=C(C=C4)F 1 3.158 2 5 0 -21.9708637579504 1071278 COC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.222 1 6 0 -16.8189503005603 1071270 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O 1 2.44 3 3 -8.41834871005485 1071269 C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CO4)F 1 3.666 2 3 4.70497379658385 1071266 C1=CC(=CN=C1)CNC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 3.34 2 2 -2.62734585828027 1071263 CN(C1=CC=C(C=C1)OC(=O)C2=CC=NC=C2)C3=NS(=O)(=O)C4=CC=CC=C43 1 2.683 3 4 0 -8.01962430439924 1071262 C1CN(CCN1C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)F 1 1.912 3 3 0 -4.69519884325066 1071261 COC1=C(C=C(C=C1)C(=O)OCCN2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)OC 1 2.254 3 6 0 -10.4502393093336 1071260 C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C=NC4=CC=CC=C4C3=O 1 1.762 4 2 0 -7.66865777887152 1071250 COC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.967 3 4 0 -14.6237477678466 1071246 CCN1C2=C(N=C1SCC(=O)NC3CCCC3)N(C(=O)N(C2=O)C)C 1 1.794 5 3 0 -24.6920335481296 1071239 CCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)N(C2=O)C)C 1 1.968 5 3 0 -21.6191932141825 1071228 CC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)OC 1 3.318 3 3 -10.3558266812659 1071222 C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 0.678 3 4 0 -20.9800250475732 1071220 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCOCC3 1 0.93 3 4 0 -24.1419367904006 1071199 C1COC2=C(O1)C=CC(=C2)NC(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F 1 2.133 5 3 0 -5.3363254720907 1071179 CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=CS3 1 3.617 3 1 -9.05114734146785 1071174 CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CO4 1 3.97 3 4 0 -28.1298087793825 1071060 CC1=C(SC(=C1C(=O)OC)NC(=O)C)C(=O)NC2=CC=CC=C2OC 1 2.138 2 5 0 -18.1463916583582 1071005 CCOC(=O)C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C 1 2.788 2 5 0 -8.83072237253072 1070987 CCOC(=O)C1=C(N=C2C3=CC=CC=C3C(=O)C2=C1C4=C(C=CC(=C4)OC)OC)C 1 4.172 1 5 -2.99590418012999 1070922 COC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.61 3 4 0 -19.1655581302544 1070816 COC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.707 3 2 1.05638136599179 1070815 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4Cl 1 3.125 3 3 -2.34886883375478 1070719 COC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)OC 1 3.366 2 4 -6.5683386432056 1070711 C1=CC=NC(=C1)C(=O)NC2=NC=CS2 1 0.889 3 1 0 -8.03036037638044 1070710 CC1=CC=C(C=C1)C2=NC(=C(O2)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)C 1 4.24 2 4 -8.21039082383252 1070709 CC1=CC=C(C=C1)C(=O)NC(=C(Cl)Cl)S(=O)(=O)C2=CC=C(C=C2)C 1 4.619 1 3 -8.51298884583905 1070678 CC(C)(C)C(=O)NC1=NN(C(=O)C1)C2=C(C=C(C=C2Cl)Cl)Cl 1 3.924 3 2 -11.8321539779022 1070675 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC(=C(C=C3OC)OC)OC 1 2.631 3 4 0 -9.50379809239964 1070673 CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1C3=CC(=CC=C3)Br 1 3.254 3 3 -4.47750964632961 1070671 CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1C3=CC=C(C=C3)Br 1 3.254 3 3 -6.19340957471374 1070617 COC1=CC(=CC(=C1OC)OC)C(=O)N2C(=O)CCC2=O 1 0.812 1 6 0 -10.2030783172827 1070608 CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)Br)[N+](=O)[O-] 1 3.254 3 3 -4.43953863867092 1070600 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.471 2 6 0 -8.43825309179164 1070580 CCN(CC)S(=O)(=O)C1=C(C=C(C=C1Br)C)Br 1 3.627 1 2 -5.31663690530271 1070572 C1COCCN1C2=NC(=NC(=N2)OCC(F)(F)F)N(C3=CC=CC=C3)C4=CC=CC=C4 1 4.425 5 2 0 -2.69753238717665 1070552 C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=CN45)C6=CC=CC=C6 1 4.443 4 1 -8.96006106177227 1070548 CC(C)OP(=O)(C)CN1CCN(CC1)CP(=O)(C)OC(C)C 1 0.63 2 4 0 -1.41138347434491 1070538 COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)OC 1 2.543 2 4 -15.6207361206779 1070537 CCOC1=CC=CC=C1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 4.729 2 2 -12.4649321711599 1070509 CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O 1 3.515 2 4 -11.6698051064039 1070496 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C 1 2.063 3 3 -12.0979376214299 1070495 CC(=O)NC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 0.867 3 4 0 -11.9417123339531 1070490 CC(C)(C)C1=CC(=CC(=C1)S(=O)(=O)CCC2=CC=CC=N2)C(C)(C)C 1 5.053 1 2 -6.19942074481135 1070450 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=C(O3)C(=O)C4=CC=CC=C4 1 4.169 2 3 -1.26751883462315 1070449 CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)O 1 4.106 2 2 -0.308214122779682 1070447 CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)O 1 3.647 2 2 -1.41833578790125 1070421 CN1CCN(CC1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4 1 2.745 5 1 -12.3519410648509 1070418 CC1=C(C(=NC(=N1)C)NC(=O)C)C(=O)C 1 -0.312 3 2 0 -7.50995605193092 1070370 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3)C)C 1 1.096 2 3 0 -14.0640704842272 1070356 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CO5)C(F)(F)F 1 4.493 5 2 0 -6.05160269765534 1070329 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=C(C=C3)OCO4 1 3.583 2 3 2.91627796100002 1070318 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCOCC2 1 1.793 2 4 0 -16.4232704460742 1070294 CC1=NC2=C(C=C(C=C2)OC)C(=C1)NC3=CC=C(C=C3)N4CCN(CC4)C 1 3.952 4 1 11.0166486816965 1070253 C1COCCN1C(=O)CSC2=NC(=O)C(=C(N2C3=CC=CC=C3)O)CC4=CC=CC=C4 1 3.564 3 4 0 -18.6585484979411 1070244 CC1=CC=C(S1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 5.168 2 2 -18.1431066711704 1070243 CCN(CC)C(=O)C1=CN=CC(=C1C2=CC=CC=C2)C(=O)N(CC)CC 1 2.42 3 2 -5.39155308015045 1070232 CCCC1=NC2=C(C=C1)C(=C(S2)C#N)N 1 2.569 3 0 -1.43704687176633 1070229 CCN(CC)C1=CC2=C(C=C1)C(=O)C=C(O2)O 1 2.687 1 3 -2.63603060756692 1070224 CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3 1 1.899 3 3 0 -15.123028355131 1070213 CN1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)OC 1 2.388 3 2 -9.65488323870664 1070198 C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl 1 1.702 1 4 0 -14.3983047509114 1070152 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 2.658 2 6 0 -9.65633704227814 1070133 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCC4=CC=CC=C4C3 1 4.113 2 2 -12.6031164204654 1070122 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.343 3 3 -3.37257642447099 1070093 C1CCCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl 1 3.279 1 4 -11.4016135302802 1070058 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N4CCN(CC4)CCO 1 2.953 3 2 0.386339008921188 1070039 C1CN(CCC1(C2=CC=C(C=C2)Br)O)CC3=CC(=CC=C3)Br 1 4.272 1 1 7.99721972057805 1069892 C1CN(CCC1NC(=O)C2=C(C=C(C=C2)Cl)Cl)CC3=CC=CC=C3 1 4.061 2 1 1.84578324219986 1069873 CC1(CCC2=C(O1)C3=C(C4=C2OC(C=C4)(C)C)OC=C(C3=O)C5=CC=C(C=C5)O)C 1 4.509 0 5 0.919437156848919 1069872 CC1=CC(=C(C=C1)NC(=O)C2=C(N=C(S2)N)C3=CC=C(C=C3)[N+](=O)[O-])C 1 3.97 4 3 0 -1.41200752301863 1069868 C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCCC3 1 2.943 2 3 -16.4724638969287 1069854 C1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=N2)C4=CC=CC=C4)C(F)(F)F 1 3.991 5 1 -8.54731233791404 1069848 C1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)N)Br 1 3.599 4 1 -4.462897622368 1069844 C1COCCN1C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C(F)(F)F 1 2.95 4 2 -13.3173616467788 1069829 CC1=NN2C(=O)C3=C(N=C2N(C1=O)C4=CC=CC=C4)SC5=C3CC(OC5)(C)C 1 2.855 4 3 0 -20.0678758580221 1069778 CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)S(=O)(=O)C3=CC=C(C=C3)C 1 4.592 1 3 -8.20668057609001 1069776 CN(C)C1=C2C3=C(C(=O)N(C=N3)C4=CC=C(C=C4)Cl)SC2=NC=C1 1 3.561 4 1 -7.60701154033985 1069750 COC1=CC(=C(C=C1)OC)C(=O)C2=CC=C(C=C2)C(=O)N3CCCCC3 1 3.532 1 4 -8.31811672582688 1069720 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)Cl 1 3.825 3 1 4.32284214269648 1069651 C1CN(CCN1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4F 1 3.401 3 4 0 4.22338947214941 1069645 CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)Br)O)OC)C 1 4.995 2 2 10.8786533369116 1069643 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.375 2 2 0.233500792995415 1069594 CC1=C(C2(CCCCC2)C(=C(N1)SC)C#N)C(=O)NC3=CC=CC=C3 1 3.705 3 1 -13.652125526621 1069573 C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)N)C5=CC=CC=C5 1 4.855 3 2 -17.9404049549098 1069562 CC1=CC(=NC=C1)N2C(=NC3=CC=CC=C3C2=O)CCN4C(=O)C5=CC=CC=C5C4=O 1 3.283 4 3 0 -7.05995317819794 1069561 CC1=C(SC2=NC=NC(=C12)N3C=NC4=CC=CC=C43)C 1 3.58 4 0 -2.30448612389409 1069559 C1CN(CCN1CCO)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 2.496 4 3 0 -19.0260148126127 1069549 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCN(CC4)C(=O)CCC(=O)O 1 2.946 4 3 0 1.72042461557132 1069544 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)F 1 4.271 4 2 -0.330188719372352 1069531 C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CO4 1 3.404 3 3 -15.2030934542807 1069527 C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CO4)Cl 1 4.612 2 3 0.272754771614562 1069526 C1=CC(=CC=C1CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)Cl 1 3.613 3 2 6.29163175589799 1069521 CCOC(=O)CSC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4=CC=CC=C4 1 3.881 3 3 -29.7292773787534 1069519 COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N)SC4=C3CCC4 1 3.364 3 3 -28.7093113152303 1069511 COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CCC4 1 3.991 2 4 -30.0878856072957 1069494 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC(=CC=C3)Cl 1 3.338 3 3 -3.7636329682337 1069488 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)NC2=CC=C(C=C2)Cl 1 3.809 2 3 -9.25845107633537 1069483 CCOC1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)C4=CC=C(C=C4)C)N)N)C#N 1 4.697 4 2 -6.03194250924327 1069465 C1CCC2=C(C3=C(N2CC1)C(=O)N(C=N3)CC4=CC=C(C=C4)Cl)C#N 1 3.987 4 1 -6.46221686579539 1069463 CN(C)C1=C2C3=C(C(=NC=N3)SCC4=CC=C(C=C4)Cl)SC2=NC=C1 1 5.08 4 0 -8.32085829980312 1069450 CC1=C(C2(CCCCC2)C(=C(N1)SCC(=O)N)C#N)C(=O)NC3=CC=CC=C3 1 2.559 4 2 -19.9044965020215 1069413 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=C(C=C2)N3CCOCC3)C 1 3.626 2 3 0.23766939566846 1069388 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 2.504 4 3 0 -15.6968760846716 1069325 CCOC(=O)CSC1=C(C(=CC(=N1)C2CC2)C3=CC=C(C=C3)F)C#N 1 4.459 2 2 -14.6540048199033 1069285 CC1=CC(=O)NC(=C1C#N)SCC(=O)NC2=CC=C(C=C2)Br 1 2.569 3 2 -16.1678316028753 1069255 CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O 1 3.218 2 5 0 -11.9273468240349 1069254 C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O 1 4.138 1 4 -1.27738566284757 1069246 CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 3.135 2 3 -21.3878453642911 1069242 C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=CC=C2)O)C(=O)NC3=CC(=CC=C3)O 1 2.618 2 5 0 -6.26809975386219 1069238 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O 1 2.715 2 6 0 -9.74832217547152 1069224 C1=CC=NC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Br 1 3.903 3 3 -7.00630705148628 1069210 CC1=CC(=NN1C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C 1 1.219 4 5 0 -14.1072105687601 1069195 C1CCC(CC1)N(CCC(=O)N)S(=O)(=O)C2=CC=CC3=NSN=C32 1 2.035 4 3 0 -8.97454186553802 1069194 C1C(=O)N(C(=O)CN1S(=O)(=O)C2=CC=C(C=C2)Cl)CCC3=CC=CC=C3 1 2.251 2 4 -12.0850212770377 1069191 C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=O)O 1 2.658 2 6 0 -7.8366268878132 1069155 C1CCN(C1)CCNC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)Cl 1 4.206 4 0 -1.49630854037658 1069150 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC=C4 1 2.893 5 3 0 -5.41255143058494 1069133 CC1=CC(=C(C(=C1)C)NC(=O)CCN(C)CCC2=CC(=C(C=C2)OC)OC)C 1 4.535 2 3 -9.6232928148287 1069130 CCOC(=O)C1=C(C2=C(O1)C=CC=C2O)CN(CC3=CC=CC=C3)C(=O)C 1 3.303 1 5 0.148720294375648 1069122 C1CCN(C1)CCNS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.753 3 4 0 -3.4865254505277 1069119 COC1=C(C=C(C=C1)CCN2C(=O)CN(CC2=O)CC3=CC=CC=C3)OC 1 2.511 2 4 -7.57786183764338 1069065 C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)OC(C(F)F)(F)F)NC(=O)C3=CC=C(C=C3)N)N 1 3.386 4 3 0 -6.94886471372766 1069049 CCN(CC)CCSC1=NN=C(N1C2=CC=CC=C2)NC3=CC=CC=C3 1 4.35 5 0 -8.05608956094616 1069019 CCOC(=O)C1=C(SC2=C1C(=CC(=C2O)Br)Br)NC(=O)C 1 3.395 1 4 -3.10896818530262 1069013 CN(C)CCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)N 1 3.102 5 2 0 -12.6319986555609 1068919 CC1=CC(=C(C(=C1)C)NC(=O)CN(C2CCCCC2)C3CCCCC3)C 1 6.131 2 1 -5.65086264744509 1068903 C1=CC=C(C(=C1)C2=CC=CC=C2NC(=O)/C=C/C(=O)O)NC(=O)/C=C/C(=O)O 1 2.076 2 6 0 -2.92433999442245 1068898 CC1=C(OC2=C(C(=C(C=C12)Br)OC)Br)C(=O)O 1 4.021 0 4 4.32811900234161 1068862 CC1=C(OC2=C(C(=C(C=C12)Br)OC)Br)C(=O)N3CCOCC3 1 3.493 1 4 4.76343689337264 1068859 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CN=C3OC 1 1.846 4 5 0 -12.958943156116 1068849 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=N5 1 2.548 4 3 0 -6.26986800200414 1068843 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CO4 1 2.58 2 5 0 -9.15194398157593 1068835 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2Cl)N3C(=CC(=N3)C)C 1 3.2 5 2 0 -11.1790410935577 1068834 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)N3C(=CC(=N3)C)C)C 1 3.022 5 2 0 -9.75434908101192 1068833 CN(C)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C3=CC=CC=C3 1 4.293 3 2 -7.09133722005063 1068829 C1C(=O)NC2=CC=CC=C2N1C3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5 1 3.781 4 1 -0.418981357634766 1068828 C1C(=O)NC2=CC=CC=C2N1C3=NC4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5 1 4.445 4 1 2.99126725971951 1068826 C1=CC(=CC(=C1)F)C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C3=CC(=CC=C3)F 1 3.44 2 4 -6.37537564861583 1068824 CCOC(=O)COC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C(=O)C 1 4.601 1 4 -3.95176362866415 1068823 C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N4N=C5C=CC=CC5=N4 1 5.862 5 0 9.41502270092819 1068812 CCOC(=O)CSC1=C(C(=CC(=N1)C2CC2)C3=CC=C(C=C3)Cl)C#N 1 4.918 2 2 -13.5438831547817 1068811 C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3Cl)C#N)Br 1 5.67 2 0 1.27600881043356 1068810 C1=CC=C2C(=C1)C=CC=C2N3C(=NC4=CC=CC=C4C3=O)C5=CC=CS5 1 5.137 2 1 -4.48759027289324 1068792 CC(=O)C1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)N4CCOCC4 1 4.327 2 2 2.54108763853276 1068777 CN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4 1 2.336 5 2 0 -8.41766571007135 1068774 CCOC(=O)C1=C(N=C2CC(CC(=O)C2=C1C3=CC=C(C=C3)OC)(C)C)C 1 3.654 1 4 -10.3780779680334 1068750 CC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)OC(C(F)(F)F)C(F)(F)F)NC 1 3.524 5 2 0 -12.1785497416104 1068744 COC(=O)C1=C2C=CC=CN2C(=C1C(=O)OC)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.963 2 7 0 -9.60918009162914 1068733 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)C(=O)OC)Br)C)C 1 3.282 1 4 -3.23840107472402 1068732 C1COCCN1C2=NC(=NC(=N2)N(C3=CC=CC=C3)C4=CC=CC=C4)N5CCOCC5 1 2.663 6 2 0 -0.854637219037618 1068729 C1COCCN1C2=NC(=NC(=N2)NCC3=CC=CC=C3)N4CCOCC4 1 0.888 6 2 0 -1.62844204217913 1068705 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)OCC 1 2.404 3 3 8.11964343940355e-002 1068704 CC(C)NC(=O)C1=NN2C(=CC(=NC2=C1Cl)C3=CC=CO3)C(F)(F)F 1 3.843 4 2 -12.4029977091952 1068701 C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl 1 5.609 2 1 -3.14569264018824 1068681 CCOC(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=C(C=C3)OC)C4CC4)N 1 4.031 2 3 -6.99500654398404 1068611 CC1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Cl)Br 1 3.528 1 2 -8.87665923600158 1068610 CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Br 1 3.528 1 2 -10.6761847781713 1068594 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC 1 1.394 3 4 0 -13.7950066587688 1068536 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4 1 4.277 2 2 -2.77049832760993 1068533 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C3=CC=CC=C3)C 1 5.294 1 2 3.35194510208321 1068515 COC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4)OC 1 3.307 6 2 0 -2.91145457464546 1068494 CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C(=O)OCC 1 3.601 1 4 -4.38213658212858 1068491 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.676 3 4 0 -12.6433895434059 1068432 CCOC(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)OC 1 3.84 0 5 -3.14400975368444 1068408 CC1=CC=CC=C1NC(=O)C2=C(NC(=S)C(=C2C3=CC=C(C=C3)Cl)C#N)C 1 4.496 3 1 -8.3660859131251 1068376 CCCS(=O)(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1S(=O)(=O)CCC)C(=O)OC 1 3.514 1 6 0 -14.036686180345 1068343 C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=C3SC(=S)N4C5=CC=CC=C5 1 5.599 5 0 1.25084704162961 1068342 C1COCCN1C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 1.961 5 5 0 -13.7487172925153 1068336 CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)NCC4=CC=CO4 1 3.357 3 2 -24.7649745963446 1068321 COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)OC 1 4.385 3 5 0 -0.199105810399453 1068317 COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=NC=CS3)C4=CC=CC=C4)OC 1 3.752 4 3 0 -0.236949257603103 1068314 COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=NC=CS3)C4=CC=CC=C4 1 3.768 4 2 3.3909884660449 1068307 C1COCCN1C(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 3.769 3 2 4.60320089661266 1068291 C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC=CO3)NC(=O)C4=CC(=CC=C4)F 1 3.144 4 3 0 -11.8759444841173 1068286 C1CCN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)F 1 3.046 4 2 -9.00441565444987 1068285 C1COCCN1C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)F 1 2.272 4 3 0 -10.9271806183935 1068281 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C4=CC=CS4)C5=CC(=CC=C5)Cl 1 5.244 4 1 -2.44800746794826 1068279 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C4=CC=CS4)C5=CC=C(C=C5)Cl 1 5.244 4 1 -4.47491507435259 1068183 CCCS(=O)(=O)C1=C2C(=CC=CN2C(=C1S(=O)(=O)CCC)C(=O)OC)C 1 3.092 1 6 0 -14.506652412073 1068215 CCCS(=O)(=O)C1=C2C=CC=CN2C(=C1S(=O)(=O)CCC)C(=O)OC 1 2.606 1 6 0 -15.5118737665827 1068087 COC1=C(C=C(C=C1)CN2CCC3=C(C2)NC4=CC=CC=C34)Br 1 4.665 2 1 2.71331406066683 1068085 COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.224 2 3 -11.3081853034676 1067975 CCOC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(S3)Br 1 4.173 2 1 4.41203205290225 1067937 CC(=O)NC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.595 3 1 7.20074397733636 1067924 C1CN(CCN1CC2=CC=C(O2)Br)C3=CC(=CC=C3)Cl 1 3.947 2 1 8.7473320278927 1067897 CCOC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O 1 4.565 2 2 12.7728931628841 1067896 CCOC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)OC 1 4.791 2 2 6.52974188651893 1067888 C1CN(CCN1CC2=CC=C(O2)Br)C3=CC=C(C=C3)Cl 1 3.947 2 1 6.16673556894437 1067862 COC1=CC(=CC(=C1O)OC)CN2CCC3=CC(=C(C=C3C2)OC)OC 1 3.254 1 5 -6.21836098166979 1067855 C1CN(CCN1CC2=CC=C(O2)Br)C3=CC=CC=C3Cl 1 3.947 2 1 5.05262558015462 1067804 C1=CC=C(C=C1)/C=C/CC2C(=O)NC(=S)NC2=O 1 2.27 2 2 -5.4976164039617 1067845 COC1=CC(=C(C=C1CN2CCC(CC2)CC3=CC=CC=C3)Br)OC 1 5.276 1 2 4.33171645078705 1067821 CC12CN3CC(C1=O)(CN(C2)C3C4=C(C=CC(=C4)Br)O)C 1 2.806 2 2 -0.123541064017521 1067818 COC1=CC(=C(C=C1)OC)C(=O)C2=COC3=C2C=C(C=C3)OCC(=O)O 1 2.97 0 7 0 -5.17945406948893 1067782 CCC1=C(C(=NC(=C1C#N)SCC(=O)OCC2=CC=CC=C2)N)C#N 1 3.543 4 2 -16.1052811875112 1067758 COC(=O)CCC(=O)NC1=CC=CC2=C1C=CC=C2NC(=O)CCC(=O)OC 1 1.121 2 6 0 -15.2689127221285 1067752 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3C(=O)O 1 3.618 1 5 -17.3805155145245 1067750 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=CC(=C(C=C3)C(=O)O)C(=O)O 1 4.053 0 6 -3.46840072155473 1067718 CC1=CC=CC=C1C(=O)NC2=C(C=NN2C3=CC=CC=C3)C(=O)N4CCN(CC4)C 1 2.823 5 2 0 -9.92179559047226 1067716 CC1=CC=CC=C1C(=O)NC2=C(C=NN2C3=CC=CC=C3)C(=O)N4CCCC4 1 3.326 4 2 -12.3243634511729 1067713 C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CO4 1 3.145 4 3 0 -6.21332491738043 1067709 CC(C)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CO4 1 4.339 4 3 0 -5.48017962030721 1067700 CC1(CC2=C(CO1)SC(=C2C(=O)O)NC(=S)NC(=O)C3=CC=CC=C3)C 1 3.721 2 4 -21.9945084512083 1067684 C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CO4 1 2.692 4 3 0 -9.2775648837205 1067678 CC1(CC2=C(C(=O)C1)C3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)NS(=O)(=O)C5=CC=CC=C5)C 1 4.817 2 5 0 -11.1588095660874 1067666 CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5 1 5.035 4 1 -12.0057182805254 1067657 CCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C#N 1 5.42 2 2 -6.14799511678559 1061759 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3OC 1 1.599 4 3 0 -17.7376229825002 1056102 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 3.539 3 3 -5.93133280285961 1056096 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4 1 4.179 3 2 -8.27916703411437 1056093 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)OC 1 4.127 3 3 -7.15275718366577 1053503 C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)Cl)C4=CC=CO4 1 4.685 3 2 4.37765938577953 1053382 CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CO3)C(=O)NCC4=CN=CC=C4 1 3.817 4 2 -2.60895682186798 1053124 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CC=C3F 1 4.021 2 1 3.75205253787952 1053064 CC(C)C(=O)N(CN1C(=O)C2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC 1 2.932 2 4 -6.13801370187349 1051956 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 2.561 3 3 -5.51135326614763 1051906 CNC(=O)/C(=C/C1=CC(=CC=C1)OC2=CC=CC=C2)/C#N 1 2.905 2 2 -8.95547378402547 1051849 CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O 1 4.153 1 5 -12.7688322818495 1051827 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-] 1 5.777 3 3 -18.8799836220186 1051767 C1=CC=NC(=C1)C2=NNC(=S)N2N=CC3=C(C=CC=C3Cl)Cl 1 4.354 5 0 -4.76826345849761 1051657 COC1=C(C=CC(=C1)C=NNC(=O)C2=CN=CC=C2)OC(=O)C3=CC(=CC=C3)Br 1 3.696 3 4 0 -13.9860135082313 1051652 CN(C1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(O2)Br 1 4.082 2 2 -8.63269548747845 1051635 CC(C)CCSC1=NC(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3 1 4.069 3 2 -17.2191721998263 1051582 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3CCCCC3)OC 1 3.079 5 5 0 -20.9186015727671 1051589 CC(C)C1=C2COC(CC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CO4)C#N)(C)C 1 2.789 4 3 0 -14.884355630669 1051624 CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=NC=C2[N+](=O)[O-])C)C 1 2.297 4 3 0 -12.2401645218004 1051609 CC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.391 2 4 -22.2400219311855 1051569 CC1=C(C2=NC(=CC(=O)N2N1)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 1 2.436 4 3 0 -4.39752733006619 1051489 CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=C(C=C3)OC 1 5.634 3 2 -9.60721325183315 1051455 CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CC=CO5 1 4.839 2 4 -12.7606127991877 1051422 COC1=CC=CC=C1C2=NC(=C(O2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4 1 3.252 2 5 0 -11.5339599542523 1051352 CC1CCN(CC1)S(=O)(=O)C2=C(C(=C(S2)C(=O)OC)C)C(=O)OC 1 2.39 1 6 0 -18.1827357908415 1051351 CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCCCC2)C(=O)OC 1 2.139 1 6 0 -15.4612475374765 1051349 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C(=C(S2)C(=O)OC)C)C(=O)OC 1 3.078 1 6 0 -7.32566312808497 1051289 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=CC=C4OCC(=O)O 1 4.388 4 4 0 -17.6262906199895 1051383 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C(C)C)C(=O)NCC4=CN=CC=C4 1 0.859 6 2 0 -23.0094770350332 1051382 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 1.883 3 4 0 -16.3780035391218 1051372 CCN1C(=NN=C1SCC(=O)OC)COC2=CC=CC3=C2N=CC=C3 1 2.485 4 3 0 -20.676645864322 1051370 COC(=O)CSC1=NN=C(N1CC=C)COC2=CC=CC3=C2N=CC=C3 1 2.753 4 3 0 -23.7603107657072 1051335 C1=CC=C(C(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl)OCC(=O)O 1 5.053 4 4 0 -14.8210640276107 1051327 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=C(O4)C 1 4.95 4 2 -13.0928362018944 1051324 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=CC=C4OCC(=O)O 1 4.874 4 4 0 -16.6430627181975 1051136 C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 3.21 4 3 0 -7.07485495413861 1051135 CCS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)SCC3=CC=CC=C3 1 4.67 3 2 -4.71414203484773 1051134 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CC=CN4C 1 3.835 4 2 -1.74243290031237 1051129 CSC1=NC(=NN1S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.315 3 2 -0.702502626405687 1051128 CS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)SCC3=CC=CC=C3 1 4.322 3 2 -3.83560032839306 1051126 CSC1=NC(=NN1S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl 1 4.979 3 2 -1.05430515230804 1051125 CSC1=NC(=NN1S(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 4.315 3 2 -1.12399584932664 1050959 COC1=C(C=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC(=CC=C3)O)C(=O)OC)OC 1 2.689 1 7 0 -13.3570109986548 1050856 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Br 1 2.808 3 5 0 -4.90952017487102 1050855 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Cl 1 2.724 3 5 0 -3.45286042976958 1050852 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.685 3 4 0 1.18599165658471 1050851 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNC(=O)C3=CC=CC=C3Br 1 3.105 3 4 0 -2.4096731993596 1050850 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNC(=O)C3=CC=CC=C3Cl 1 2.672 3 4 0 -3.64944313900893 1050686 CCC(=O)NC1=CC=CC=C1SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4 1 5.075 3 1 -6.44193541527556 1050694 C1=CC=C(C=C1)C2=C(N(C(=C2C#N)NC(=O)C3=CC=CS3)CC4=CC=CO4)C5=CC=CC=C5 1 5.964 3 2 -9.04372805769868 1050674 CC1=CC(=CC(=C1)OCC(=O)NNC(=O)C2=CC3=CC=CC=C3OC2=O)C 1 2.709 2 5 0 -14.3779734849967 1050635 CCCS(=O)(=O)C1=C2C(=CC=CN2C(=C1S(=O)(=O)CCC)C(=O)C3=CC=C(C=C3)Br)N 1 4.157 2 5 0 -13.6492213131874 1050624 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3Cl 1 3.43 2 3 -8.47862748054564 1050563 CC1=C(SC(=C1C(=O)OC)NC(=O)CCC(=O)O)CC2=CC=CC=C2 1 2.768 1 5 -16.2613923666582 1050562 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=CC=C2)CC3=CC=CC=C3 1 4.587 1 3 -11.7238011298223 1050522 CCC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)[N+](=O)[O-] 1 4.962 4 2 -6.13777090509243 1050499 CC1=C(C(=C(C(=N1)SCC(=O)C2=CC3=CC=CC=C3OC2=O)C#N)C4=CC=C(C=C4)OC)C(=O)NC5=CC=CC=C5 1 5.484 3 5 0 -16.2352632672644 1050485 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=CC(=CC=C3)NC(=O)C 1 3.61 3 3 -16.0524694825618 1050470 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=CC=CC=C3OC 1 3.816 2 3 -13.7564809033241 1050462 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.084 3 2 -5.16357465991335 1050461 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 4.289 3 2 -4.02198144229346 1050448 COC1=CC(=CC(=C1OC)OC)C2=C3CCCC3=C4C(=N2)C=CC5=CC=CC=C54 1 5.879 1 3 -2.19944496274794 1050422 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4N3 1 2.158 5 2 0 -17.8221610109072 1050416 CCN(C(=O)C1=CC=CC=C1)NC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O 1 3.355 2 3 -13.1516997905984 1050397 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)C4=NN=C(O4)C5=CC=CC=C5 1 4.278 4 2 3.77133874889382 1050396 CN(C)C1=NC(=NC(=N1)N(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N)N(C)C 1 0.433 8 3 0 -2.78085141497684 1050350 C1=CC=C(C=C1)C2=CC(=NC3=CC(=NN23)C(=O)NC4=CC(=CC=C4)O)C5=CC=CC=C5 1 4.968 4 2 -4.10508295526276 1050347 C1CCC(C1)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C5=CC=CC=C5 1 5.035 4 1 -8.14633376035174 1050346 CN1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C5=CC=CC=C5 1 3.796 5 1 -5.0127997755605 1050335 C1CCN(C1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C5=CC=CC=C5 1 4.3 4 1 -7.41536763626118 1050215 CC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC=CC=C3OC)C#N 1 4.055 3 2 -19.1358097942892 1050203 C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CO5 1 1.924 5 3 0 -23.1286208754306 1050188 CCOC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(C=C3)OC)S2)C(F)F 1 4.654 2 4 -6.71462452536883 1050186 COC1=CC=CC=C1N2CCN(CC2)C3=C(C(=O)N4C=CC=CC4=N3)C=O 1 1.734 4 3 0 -8.90622321921338 1050033 CC(=O)CSC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C 1 2.691 4 3 0 -14.2292581589301 1049991 CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C 1 4.658 0 3 -13.003453231107 1049989 CCOC(=O)CC1=CC(=NC2=C1C3=CC=CC=C3C=C2)C4=CC=C(C=C4)OC 1 5.094 1 3 -2.38875712090593 1049966 CCOC(=O)CC1=CC(=NC2=C1C3=CC=CC=C3C=C2)C4=CC=C(C=C4)F 1 5.316 1 2 -1.33495683493159 1049927 CC1=C(C=C(C=C1)[N+](=O)[O-])N=C(C2=CC(=CC=C2)Br)N3CCOCC3 1 3.897 3 3 -2.70205566457297 1049900 CC1=C(C2=C(N1C)C=CC(=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C 1 3.541 2 5 0 -9.36640640621849 1049898 CC(C)(C)C1=NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O1 1 5.076 1 2 0.997427844044258 1049874 C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.382 3 4 0 -13.9606892941277 1049845 CC1=C(C(=O)N=C(N1C2=CC=C(C=C2)Br)C)C3=CC=CC=C3 1 3.776 2 1 -2.34015955644472 1049836 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 1.905 2 4 0 -11.6678307607696 1049835 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCCC3 1 3.135 2 3 -10.099534310994 1049819 C1=CC(=CC(=C1)F)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 1 2.305 3 3 -9.27781450448945 1049793 COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=CC=C3 1 4.569 2 3 -13.3037631735682 1049792 COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SC)C3=CC=C(C=C3)OC 1 5.071 2 2 -4.82138430451652 1049766 C1CCCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)CC4=CC=CC=C4 1 3.787 4 2 -11.3919272294578 1049764 C1CCC(CC1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CS4 1 3.985 4 2 -10.1628296753181 1049756 COC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC3)NC(=O)C4=CC=CO4 1 3.491 2 4 -17.5222966022286 1049571 C1=CC=NC(=C1)C=NNC(=O)C2=NC(=CC=C2)C(=O)NN=CC3=CC=CC=N3 1 1.798 7 2 0 -7.21588023936362 1049520 COC1=CC=CC=C1OP(=O)(C)NC2=CC(=CC=C2)Br 1 3.106 1 3 4.07977114325968 1049298 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CC=C5)C(F)(F)F 1 4.892 5 2 0 -8.33529326798424 1049263 CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)CC2=CC=CC=C2 1 2.573 3 3 -18.3492303539261 1049262 CC1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2OC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 4.552 2 6 0 -11.2195105326247 1049260 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC=C2C=NNC(=O)C3=CC=C(C=C3)Cl 1 4.73 2 6 0 -9.39751184203791 1049259 CC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Cl 1 3.9 3 4 0 -9.32513565484656 1049256 CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2OC(=O)C3=CC=CC=C3 1 4.782 3 4 0 -18.3533402850214 1049247 CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC(=C(C=C4)OC)Cl 1 4.161 4 1 0.42810725838579 1049200 COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCC3)SCC(=O)NC4=CC=CC=C4)C#N 1 5.297 3 2 -12.5659664130768 1049199 COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCC3)SCC(=O)N)C#N 1 3.515 3 2 -10.861902660249 1049166 CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=NNC(=O)COC3=CC=CC4=C3N=CC=C4 1 4.62 4 2 -9.90070646137942 1049126 COC1=C(C=C(C=C1)C2=NCC(=S)NC3=C2C=C(C=C3)Cl)Cl 1 4.984 2 1 2.67758576382584 1048988 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 3.203 2 4 -1.84755966146912 1048934 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)OC 1 2.094 4 5 0 -17.8976712234981 1048913 C1=CC=C(C(=C1)N)OC2=C(C(=C(C(=C2F)F)OC3=CC=CC=C3N)F)F 1 4.279 2 2 2.83677087212149 1048782 C1CN(C2=NC3=C(C=C(C=C3)Br)C(=C21)N)CC4=CC=CC=C4 1 3.757 3 0 4.44300351126192 1048752 COC1=C(C=C(C=C1)C2(CCCCC2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC 1 4.394 2 5 0 -21.785874262868 1048733 CN(C1=CC=C(C=C1)OC)C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC 1 5.647 2 4 -8.60205880480758 1048732 CN(C1=CC=C(C=C1)OC)C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3 1 5.663 2 3 -7.93239400096337 1048723 C1COCCN1C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)Cl 1 4.359 2 3 -7.52926316094238 1048698 C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC(=O)NN=CC3=CC=CO3 1 1.778 5 3 0 -14.9377945765656 1048696 C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC(=O)NN=CC3=CC(=CC=C3)O 1 2.141 5 3 0 -12.349500143609 1048665 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3C(=O)O 1 3.019 2 4 -4.90390972172019 1048587 CC1=C(C2=C(C(=O)N=C2C=C1)NN3C(=O)C4=CC=CC=C4C3=O)Br 1 1.839 3 3 0 -3.47939925248954 1048571 CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O 1 3.409 3 6 0 -15.3586616839121 1048561 C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)NN=CC3=C(C=CC(=C3)O)Br 1 4.543 2 3 1.67038883729584 1048555 CC1=C(C=C(C=C1)C(C)C)OCC(=O)NN=CC2=CC3=C(C=C2)OCCO3 1 3.984 2 4 -7.26852235588218 1048554 CC1(CC2=CC=CC=C2C3=C1C(=O)N(C4=NN=NN34)CC5=CC=CC=C5)C 1 3.193 5 1 -12.686119998234 1048530 COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NN(C(=O)C3)C4=C(C=C(C=C4Cl)Cl)Cl 1 4.81 4 4 0 -7.88514619296728 1048508 C1CCC2(C1)CC3=CC=CC=C3C4=NN=C(N24)C5=CC=C(O5)Br 1 4.546 3 1 0.936884735353663 1048505 CC1=C(SC(=C1C(=O)N2CCOCC2)Br)C3=CC=CC=C3 1 3.457 1 2 -5.05685242040907 1048491 CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4 1 4.601 3 1 0.991715475549112 1048485 CCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C 1 2.116 3 4 0 -16.8736962145256 1048482 CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 1.198 4 6 0 -13.7654600378128 1048481 CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 2.379 3 4 0 -9.59149135171171 1048472 C1CN(CCN1C2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4 1 4.357 3 2 -6.16560197436875 1048471 CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.086 3 3 -8.74566905903269 1048461 CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4 1 3.763 3 4 0 -6.57150895282898 1048459 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)Cl)C(=O)C4=CC=CS4 1 3.334 4 2 -8.27980066155147 1048452 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 4.478 3 2 -2.61151226696465 1048451 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 2.623 3 3 -8.65858511658683 1048437 CCOC(=O)C1CCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)C 1 2.99 1 4 -7.92261500168151 1048420 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4 1 4.301 3 2 9.84401931648452e-002 1048415 C1CCN(CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3 1 5.351 3 2 -1.64517451494039 1048414 CCC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)CN3CCCCC3 1 4.383 2 2 -3.15827161028279 1048411 CC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC=C(O2)Br)OC 1 2.811 2 4 -17.6098077894452 1048408 C1COC2=C(O1)C=CC(=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)F)Cl 1 4.421 2 3 -9.36671218225445 1048346 CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=C(N=CC=C2)Cl 1 3.245 3 2 -10.9770345829909 1048332 C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4 1 3.401 3 4 0 -12.6007552911695 1048331 C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl 1 5.295 3 3 -9.95277078002594 1048330 C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4 1 4.631 3 3 -11.5375653980401 1048329 C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C(=CC=C3)Cl)Cl 1 4.944 3 2 -7.40005437904975 1048320 CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 4.05 3 3 -9.40622099126221 1048319 CC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C 1 3.916 3 3 -10.5311073805572 1048318 CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)Cl 1 3.386 3 3 -8.99256838662205 1048317 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=CO3)Br 1 4.365 3 3 -3.29750720427442 1048281 CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3Cl 1 5.547 3 3 -13.8097114765841 1048276 C1COC2=C(O1)C=CC(=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br 1 4.3 2 3 -12.3955728658337 1048275 C1COC2=C(O1)C=CC(=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43 1 4.46 2 3 -10.1672648373586 1048273 C1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)N5CCCCC5 1 3.515 7 1 0 -1.02321721293337 1048268 CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)O 1 5.879 2 3 2.42930338571633 1048267 CCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Br 1 3.606 2 2 -11.8420596867782 1048203 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl 1 6.476 2 2 -6.67494998387927 1048156 COC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)Cl 1 4.099 3 4 0 -7.0575863879544 1048151 COC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2 1 5.094 2 3 -6.65597439615186 1048103 CC(C)CC(=O)NC(=S)NC1=NC(=CS1)C2=CC=C(C=C2)Cl 1 4.612 3 1 -2.91189326810889 1048139 CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.405 3 2 -8.32275589206009 1048136 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)CC(C)C 1 5.971 3 1 -1.46022671879972 1048127 CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CS2 1 4.214 3 2 -14.0046038932552 1048126 CC(C)CC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Cl 1 4.925 3 2 -13.5465490475015 1048125 CC(C)CC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2 1 4.261 3 2 -14.09712252534 1048122 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=NC=C(C=C3)Cl 1 4.876 3 1 -9.18813012259026 1048119 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4 1 6.08 3 2 -16.2692527978739 1048092 CC(C)CC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCOCC2)Cl 1 3.991 3 2 -9.26840976667159 1048081 CCCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC=N3)C 1 4.206 4 2 -6.6770672169148 1048045 C1=CC(=CN=C1)CNC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl 1 3.757 3 1 -8.9081640640919 1048021 C1CN(CCN1C=O)C(=O)COC2=C(C=C(C=C2)Cl)Br 1 1.63 2 3 0 -2.57036575991833 1048000 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)Cl)Cl)Br 1 3.948 2 2 -4.08354867658828 1047994 CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)CC2=CC=CC=C2 1 2.976 2 3 -6.31899898799057 1047989 CC1=C(C=C(C=C1)C2=CC=C(O2)C=NNC(=O)CC3=NN=C(S3)N)Cl 1 3.207 5 2 0 -2.37156207100805 1047882 CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NC4=C(C5=C(S4)CCC5)C(=O)OC 1 4.716 4 3 0 -25.3675503118677 1047727 CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)CN4CCN(CC4)C(=O)OCC)C 1 3.432 2 6 0 -3.01613077476288 1047680 COC1=CC(=C(C=C1)OC)NC(=O)COC2=CC=C(C=C2)Br 1 3.165 1 4 -6.80692600120723 1047653 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 4.872 1 3 -4.16531295194896 1047584 C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)Cl 1 4.233 3 2 -8.17991555753069 1047583 COC1=C(C=CC(=C1)NC(=O)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3 1 3.477 2 4 -11.2086497429697 1047581 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=O)CC4=CC=C(C=C4)Cl 1 4.295 3 2 1.45436034679048 1047412 COC1=CC(=CC=C1)OCC(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2 1 2.598 2 4 -6.94709709022657 1047374 COC1=C(C=C(C=C1)C2=CC=C(O2)C=NNC(=O)CC3=NN=C(S3)N)Cl 1 2.705 5 3 0 -3.63823278233306 1047347 C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=CC4=CC=CC=C43)NC(=O)CCC(=O)O 1 4.114 2 4 -22.8163495409959 1047317 CN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)Br 1 3.085 5 2 0 -6.96364773502838 1047269 CCN1C(=C(C(=N1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)Cl)Cl 1 4.107 3 1 -0.474393426978155 1047248 CCOC(=O)NS(=O)(=O)C1=CC=C(C=C1)CCNC(=O)C2=NOC(=C2)C 1 1.658 3 6 0 -19.6730248972465 1047218 CN(C)C(=O)C1=C(C=CC(=C1)Cl)SC2=C(C=CC(=C2)Cl)Cl 1 5.355 1 1 -0.610805159460424 1047194 CCN(CC)CCOC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C)Br 1 3.709 2 4 -5.23248635228772 1047183 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3C5=CC=NC=C5 1 4.643 3 1 -1.65769364828672 1047171 COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)O 1 4.569 2 3 -11.3874195989318 1047101 C=CCN1C(=O)SCC(=N1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.494 3 2 -13.5318673638984 1047100 C1C(=NN(C(=O)S1)CC2=NN=C(O2)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl 1 4.497 4 2 -2.08958126919527 1047099 CC(=O)NC1=CC=C(C=C1)C2=NN(C(=O)SC2)CC3=NN=C(O3)C4=CC=CC=C4 1 2.289 5 3 0 -10.7052156076928 1047097 C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CC3=CNC4=CC=CC=C43 1 3.996 5 1 -24.5611784686946 1047090 CCN1C=C(C(=N1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)Br 1 4.119 3 1 -4.44149869528108 1047079 CN(C)C1=NC(=NC(=N1)N2CC(=O)N(C2=N)C3=CC=C(C=C3)Cl)N(C)C 1 1.886 8 1 0 -4.66047559938637 1047016 CC1=CC=C(C=C1)S(=O)(=O)N(C2=NC(=NC(=N2)N(C)C)N(C)C)N3C=NN=C3 1 0.968 9 2 0 -4.45527879518638 1047007 C1COCCN1C(=O)/C(=C(\C2=CC=CC=C2)/SC3=NC=CC=N3)/NC(=O)C4=CC=CC=C4 1 2.453 4 3 0 -12.5779317518706 1047001 CCN(CC)C(=O)C1=CC(=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)N(CC)CC 1 4.801 4 2 -9.55501369416396 1046983 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=S)N3)CC4=CC=CC=C4)C 1 4.051 2 2 -14.7428519272374 1046979 CCOC(=O)C(=NNC1=CC=C(C=C1)C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 4.5 2 4 -1.51625396943893 1046967 CCCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NC3=CC=CC=C3OC 1 4.327 1 3 -13.3261487955263 1046943 CC1=CC=CC=C1N2C(=S)N=C(C23CCCCC3)NC4=CC=C(C=C4)OC 1 6.376 3 1 0.588511558410045 1046942 CC1=CC(=CC=C1)N2C(=S)N=C(C23CCCCC3)NC4=CC=C(C=C4)OC 1 6.376 3 1 1.90456815290433 1046941 CC1=CC=C(C=C1)N2C(=S)N=C(C23CCCCC3)NC4=CC=C(C=C4)OC 1 6.376 3 1 -0.301534507645528 1046873 COC1=CC=C(C=C1)N2C(=NN=N2)C3=CN=C(N=C3C(F)(F)F)N4CCCC4 1 2.741 7 1 0 -0.592242912863767 1046869 C1=CC=C(C=C1)N2C(=NN=N2)C3=CN=C(N=C3C(F)(F)F)C4=CC=NC=C4 1 2.703 7 0 0 -0.493101254783543 1046868 C1CCN(C1)C2=NC=C(C(=N2)C(F)(F)F)C3=NN=NN3C4=CC=CC=C4 1 2.758 7 0 0 -0.845769214307259 1046867 CCN1C=C(C(=O)C2=CC=CC=C21)C3=NN=NN3C4=CC=C(C=C4)Cl 1 3.352 5 1 -5.38238114607448 1046866 C1=CC=C(C=C1)C(=O)CN2C=C(C(=O)C3=CC=CC=C32)C4=NN=NN4C5=CC=C(C=C5)Cl 1 4.259 5 2 0 -9.17362289570425 1046865 C1=CSC(=C1)C2=NC(=NC=C2C3=NN=NN3C4=CC=C(C=C4)Cl)C5=CC=NC=C5 1 3.897 7 0 0 0.596912636556542 1046850 C1=CSC(=C1)C2=NC=C(C(=N2)C(F)(F)F)C3=NN=NN3C4=CC=C(C=C4)Cl 1 4.471 6 0 -1.90922246994941 1046844 C1=CC(=CC=C1C2=NC(=NC=C2C3=NN=NN3C4=CC=C(C=C4)Cl)N)Cl 1 3.913 7 0 0 -0.3286526364221 1046842 CC1=C(C=NC2=CC3=C(C=C12)OCO3)C4=NN=NN4C5=CC=C(C=C5)OC 1 3.066 5 3 0 -4.54653182601339 1046840 C1=CC=C(C=C1)N2C(=NN=N2)C3=CN=C(N=C3C4=CC=CS4)C5=CN=CC=C5 1 3.232 7 0 0 -4.6793749595658 1046838 C1=CC=C(C=C1)N2C(=NN=N2)C3=CN=C(N=C3C(F)(F)F)C4=CN=CC=C4 1 2.703 7 0 0 -3.18350342320666 1046836 C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC=C2C4=NN=NN4C5=CC=CC=C5)Cl 1 5.011 5 0 0.582546359483482 1046833 C1CCN(C1)C2=C(C3=CC=CC=C3CC2)C(=O)C4=CC(=CC=C4)Br 1 5.108 1 1 -1.23628434391973 1046832 C1CCN(C1)C2=C(C3=CC=CC=C3CC2)C(=O)C4=CC=C(C=C4)Br 1 5.108 1 1 -1.33027027770093 1046828 CC1=C(C=NC2=CC3=C(C=C12)OCO3)C(=O)C4=CC(=C(C=C4)Cl)Cl 1 5.003 1 3 1.59556104063562 1046816 CC1=CC=C(C=C1)N2C(=NN=N2)C3=C(N(N=C3)C4=CC(=CC=C4)F)C(F)(F)F 1 4.793 6 0 -3.59386805523318 1046800 CC1=CC=C(C=C1)N2C(=NN=N2)C3=C(N(N=C3)C4=CC=C(C=C4)F)C(F)(F)F 1 4.793 6 0 -6.29894067489716 1046796 C1=CC=C(C=C1)N2C(=NN=N2)C3=C(N(N=C3)C4=CC(=CC=C4)F)C(F)(F)F 1 4.307 6 0 -4.94032620359746 1046783 CC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(NC(=O)N3)(C(F)(F)F)C(F)(F)F 1 2.668 4 3 0 -2.74626324122031 1046776 C1CCC(CC1)CCC2=NC(C3=C(N2)N(C(=O)NC3=O)C4=CC=CC=C4)(C(F)(F)F)C(F)(F)F 1 5.274 4 2 -1.24696606610686 1046775 CC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(N=C(N3)C4CCCCC4)(C(F)(F)F)C(F)(F)F 1 5.059 4 2 9.26590696552819e-002 1046768 CCN(CC)C(=O)C1(CCC1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 4.379 1 2 -6.90132463133596 1046754 C1=CC(=CN=C1)C(=O)NC(C(F)(F)F)(C(F)(F)F)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 3.585 5 3 0 -9.71161684618866 1046746 CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C2=C(S1)CN(CC2)C)C(=O)OC 1 3.559 3 3 -18.0435228795601 1046722 CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C2=C(S1)CCCC2)C(=O)OC 1 4.716 2 3 -20.3479127311072 1046667 CCOC(=O)C1=CN2C3=C(C1=O)C(=C(C(=C3SC(=N2)N4CCCC4)F)F)F 1 3.409 3 3 -6.1052287565169 1046666 CC1=C(C(=NN1C2=NN=C(N=N2)NCC3=CC=CC=C3)C)Br 1 3.003 7 0 0 0.355697054864659 1046630 COC1=C(C=C(C=C1)C(=O)C2=C(OC3=C2C(=O)C4=CC=CC=C4C3=O)C(F)(F)F)OC 1 4.808 0 6 -2.97621187365738 1046582 COC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)O)OC 1 3.446 3 4 0 -12.6011331374619 1046560 CC1=C(C(=NN1CC(=O)NC2=CC(=CC(=C2)OC)[N+](=O)[O-])C(F)(F)F)Br 1 3.258 4 4 0 -11.0692676619338 1046559 CC1=C(C(=NN1CC(=O)NCC2=CC=CC=C2)C(F)(F)F)Br 1 3.387 3 1 -13.3958629173515 1046509 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=C(C=C5)OC 1 3.281 6 3 0 -21.6243586872663 1046489 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4Cl)C(=O)O 1 3.058 6 3 0 -8.33466984685188 1046265 COC1=CC=CC=C1N2C(=NNC2=S)C3=CC(=NN3)C4=CC=C(C=C4)F 1 4.55 5 1 0.34933385691861 1046107 C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C#N 1 5.085 4 3 0 -13.1902825295068 1046062 C=CCN1C(=NN=C1SCC(=O)NC2=CC3=C(CCC3)C=C2)C4=CC=CS4 1 4.672 4 1 -21.2220436988008 1045968 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NC5=CC=CC(=C5)C(=O)O 1 3.568 4 4 0 -3.04088450916345 1045996 CCOC1=C(C=C(C=C1)CC(=O)NC2=C(OC3=CC=CC=C32)C(=O)N)OCC 1 2.911 2 5 0 -4.71283333805477 1045984 CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3 1 4.196 4 3 0 -24.1036010988495 1045850 CN1CCC(CC1)OC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O 1 2.574 1 4 -8.47137247665632 1045803 C1=CC(=CN=C1)CNC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CS4)C(F)(F)Cl 1 3.64 5 1 -17.3635756017728 1045737 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=C(C=C3)C 1 3.047 6 3 0 -21.3934698814709 1045716 CC1=CC(=C(C(=O)N1CC(=O)NC2=C(C=C(C=C2)Cl)Cl)C#N)COC 1 1.964 3 3 0 -8.23323425468877 1045669 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4 1 2.905 3 5 0 -12.9764756558053 1045642 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4Br)F)C(=O)O 1 4.706 4 4 0 -9.458797113335 1045619 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 3.875 2 3 -7.88829527453528 1045607 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O 1 2.231 2 5 0 -10.989909924957 1045457 COC(=O)C1=CC=CC=C1NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 4.449 2 3 -6.73953102074762 1045450 C1COCCN1C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl 1 3.672 2 3 -7.05518401894438 1045434 C1=CC=C2C=C(C=CC2=C1)OC3=COC4=C(C3=O)C=CC(=C4)OC(=O)C5=CC(=CN=C5)Br 1 4.59 1 5 -7.83391799568359 1045432 C1=CC=C2C=C(C=CC2=C1)OC3=COC4=C(C3=O)C=CC(=C4)OC(=O)C5=CC=CO5 1 4.388 0 6 -5.1881032081488 1045371 C1=CC=C(C=C1)CN2C(=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC=O)N 1 1.093 4 3 0 -5.17079987823994 1045338 COC1=C(C=C(C=C1)C=NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4)OC 1 3.827 3 3 -7.11209769248546 1045319 C1CN(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.922 2 5 0 -20.0399723449658 1045272 CCOC(=O)CSC1=NN=C(N1C)CSC2=NC3=CC=CC=C3S2 1 3.483 4 2 -16.5822350313164 1045135 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4C(F)(F)F)C(=O)O 1 3.336 6 3 0 -9.19681978484274 1045073 CCOC1=C(C=C(C=C1)CSC2=C(C(=CC(=N2)C)COC)C#N)OCC 1 3.974 2 3 -16.1500532491924 1045009 COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.092 2 4 -5.35879349988346 1044988 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2C4=CN=CS4)Br 1 4.555 3 0 -4.00672099456938 1044983 C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CC=CO4)(C(F)(F)F)C(F)(F)F 1 3.512 4 3 0 0.353373746971545 1044857 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3 1 3.819 4 3 0 -22.0302870770477 1044872 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CNC3=CC(=C(C=C3)C)Br 1 3.062 7 3 0 -20.6166027101109 1044828 CC(C)CN(C(=O)CN1C(=NN=N1)N)C2(CCCCC2)C(=O)NC3=CC=C(C=C3)OC 1 1.94 7 3 0 -23.7782710906596 1044810 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC 1 3.648 2 6 0 -17.6202082015264 1044767 CCN1C2=C(N=C1OC3=CC=C(C=C3)OC4=C(C=C(C=N4)Cl)Cl)N(C(=O)N(C2=O)C)C 1 4.628 5 4 0 -5.86934030393584 1044643 CC(C)C1=C2C(=NN1)OC(=C(C23CCN(CC3)CC4=CC=CC=C4)C#N)N 1 3.374 5 1 0.622992237655894 1044250 COC1=CC=CC=C1NC(=S)NNC(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.586 3 2 -5.79844490011214 1044226 CC1=CC(=NN1)NC(=O)NC(=O)C2=CC(=CC=C2)OC(C(F)F)(F)F 1 3.003 4 3 0 -6.96467641193208 1044182 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CO3 1 2.089 2 4 -26.1441886824158 1043975 CN1C2=C(C=CC(=C2)OC)C(=O)C(=C1C3=CC4=C(C=C3)OCO4)C(=O)O 1 2.656 1 6 0 0.759701647990709 1043976 CN1C2=C(C=C(C=C2)OC)C(=O)C(=C1C3=CC4=C(C=C3)OCO4)C(=O)O 1 2.656 1 6 0 2.04398026980605 1043852 CC1=C(C=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3C4=CC=CC=C4N=N3)C 1 5.507 5 1 -2.01051653777028 1043839 CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6 1 4.929 4 1 -6.74397631155002 1043837 C1=CC(=CC=C1C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O)Br 1 4.056 3 2 -5.1133211922976 1043833 COC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O 1 2.211 2 4 -14.1505344912417 1043824 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4Cl)F)C(=O)O 1 4.622 4 4 0 -10.3770829232 1043757 CC1=C(C2=CC3=C(C=C2O1)C(=C(O3)C)C(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)N6CCN(CC6)C7=CC=CC=C7 1 4.814 4 4 0 -6.3544519531659 1043739 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 3.253 3 3 -14.8771161732104 1043717 COC1=CC=CC=C1NC(=O)CSCC(=O)NC2=CC=CC=C2C(=O)OC 1 1.907 2 5 0 -16.6993360212545 1043716 CC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)N3CCOCC3)CC4=CC=CC=C4)O 1 4.05 3 4 0 -18.1042138407506 1043709 CCOC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)C(=O)OC)C(=O)OCC)C)C)C 1 2.96 1 6 0 -13.3502862256643 1043689 COC1=CC=CC(=C1OC)C2C(=CN(C=C2C(=O)OC)CC3=CC=CS3)C(=O)OC 1 2.671 1 6 0 -13.2567641971269 1043673 CC1=NC2=C(C(=C1)COC)C3=C(S2)C(=O)N(N=N3)C4=CC=CC5=CC=CC=C54 1 4.605 4 2 -8.1277796359328 1043575 CCOC(=O)CN1C2=CC=CC=C2N=C1C3=NON=C3NC(=O)C4=CC=CC=C4F 1 3.294 5 4 0 -13.3433996348214 1043512 C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)C5=CC=CC(=C5)C(F)(F)F 1 4.083 6 1 0 -4.23486592438124 1043500 C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)O 1 2.929 1 7 0 -16.0113644914416 1043499 C1=CC(=CC=C1[N+](=O)[O-])OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=NC=C4 1 2.742 3 5 0 -3.48200245825114 1043496 COC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 3.127 2 5 0 -14.9390227317623 1043447 C1=CC=C(C=C1)NC(=O)CSC2=CC=C(O2)C=NNC(=O)C3=CC(=CC=C3)F 1 3.586 3 3 -10.8482377929693 1043407 CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCC(CC2)(C(=O)N)N3CCCCC3)O 1 1.763 3 3 0 -8.29980274541962 1043390 CC(C)OC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCC4=CC=CC=C4C3 1 2.545 7 3 0 -29.0427804828754 1043362 C1COCCN1CCNC2=NC(=NC(=N2)NCC3=CC=CC=C3)N4CCOCC4 1 0.821 7 2 0 -2.85126528589131 1043352 CC1=CC=C(C=C1)C(=NO)C2=C(C3=C(O2)C(=C4C(=C3)C(=CC(=O)O4)C)C)C 1 5.871 1 4 5.79830780744099 1043331 C1CCN(CC1)CCN2C3=CC=CC=C3N=C2NCC4=NC5=CC=CC=C5N4CC6=CC=CC=C6 1 5.567 6 0 -6.77712494663646 1043268 C1CC2(CCCN(C2=O)CC3=CC=CC=C3)C(=O)N(C1)CC4=CC=CC=C4 1 3.31 2 2 -1.60272312656894 1043267 C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C(=O)O 1 3.399 2 5 0 -20.4693943733862 1043261 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC=C4C(=O)O 1 2.853 2 5 0 -14.5597474369278 1043257 CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O 1 1.837 2 7 0 -14.9929132862214 1043228 C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CO5)C(F)(F)F 1 4.288 5 3 0 -7.14527442093495 1043221 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCN(CC4)CCO 1 4.186 3 4 0 2.22893949205244 1043210 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CS3)COC4=CC=CC=C4 1 5.029 3 2 -13.5604522322299 1043199 CC1=C(C(=NC(=C1C(=O)NC2=CC=CC=C2)C)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N 1 4.469 3 4 0 -18.3096533621754 1043143 CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)CSC3=NC(=CC(=N3)C)C 1 3.134 4 3 0 -12.6844979523491 1043062 COC1=C(C=C(C(=C1)CCNC(=O)CC2=CC=CC=C2)Br)OC 1 3.693 1 3 -12.8841295331172 1043060 CC1=CC=CC=C1NC2=C(N(S(=O)(=O)C3=CC=CC=C32)C)C(=O)C4=CC=CC=C4 1 3.845 2 3 -2.03957090106912 1043011 COC1=CC=CC=C1C(=O)NC2=CC3=C(C=CC(=C3)Br)OC2=O 1 3.12 1 4 -8.24545895157375 1042999 C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2)NC4=CC=CC=C4 1 3.153 2 3 -5.72769669089853 1042981 CC1=C(C(=CC=C1)C)OCC2=NC3=CC=CC=C3C(=O)N2N=CC4=CC=C(C=C4)OCC(=O)O 1 4.617 3 5 0 -11.3363537174842 1042980 C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2N=CC4=CC=C(C=C4)OCC(=O)O 1 3.645 3 5 0 -10.1511128547999 1042977 CC1=C(C(=CC=C1)C)OCC(=O)NN2C(=NC3=CC=CC=C3C2=O)COC4=CC=CC=C4 1 4.176 3 4 0 -10.3662672559428 1042941 C1CN(CC2=C1C3=C(S2)N4C(=S)NN=C4N(C3=O)CC5=CC=CC=C5)CC6=CC=CC=C6 1 5.014 5 1 -12.6729324395116 1042919 C1=CC2=C(C=C1[N+](=O)[O-])N=CC(=O)N2 1 0.649 3 3 0 -7.67024030947701 1042891 C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=C(C=C(C=C3)Br)C(=O)O 1 2.823 3 4 0 -6.31211048609525 1042853 CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C)OC(=O)C3=CC(=CC=C3)OC 1 3.501 0 6 -9.56722445277389 1042830 CC(C)CN1C(=NC2=CC=CC=C2C1=O)CN3C(=O)C4=CC=CC=C4C3=O 1 2.775 3 3 -6.61806251093978 1042828 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=NC=CS4 1 4.602 3 1 -1.06942071908606 1042823 CC1=CC=C(C=C1)OCC(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N 1 5.371 2 3 -2.98162954724718 1042814 C1=CC2=C3C(=C1)C(=O)C(C(=O)C3=CC=C2)(O)O 1 1.297 0 4 0 1.99788409642909 1042797 C1CCCN(CC1)C(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC(=CC=C3)Br 1 3.171 3 2 -18.0578827993237 1042786 CCC1=C(C=CN=C1)CCC(=O)NC2=CC=CC=C2C 1 3.383 2 1 -12.3196217436844 1042773 COC1=CC2=C(C=C1)C3=C(C4=CC=CC=C4N3)C(=O)O2 1 3.518 1 3 -3.15528801012647 1042757 CCC1=C(N(C(=CC1=O)C2=CC=CS2)C3=CC=C(C=C3)Cl)O 1 5.265 1 2 -0.226803585106542 1042736 C1=CC=C2C(=C1)C3=C(C=CN=C3O2)CO 1 1.777 1 2 0 1.67684275970735 1042715 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.363 3 3 -15.2543353593283 1042710 CC1=C(C2=CC=CC=C2N(C1=O)C)OC(=O)C 1 1.376 1 3 0 -0.884558614302891 1042697 C1CC1(C(=O)NC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4 1 2.401 2 4 -7.16087737262006 1042684 CC1=CC=C(C=C1)C2=C(C(=O)C=C(O2)O)C(=O)C 1 2.166 0 4 0.221428119702975 1042669 C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C(=O)O)C(=O)C4=CC=CC=C4 1 5.328 2 3 -1.2463738440926 1042664 CC1=CC(=O)C(=C(O1)C)C(=O)C2=CC=CC=C2 1 2.193 0 3 -6.4028990976573 1042659 CC(=O)C1=C(N(C(=CC1=O)O)C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43 1 4.344 1 3 1.97179994512716 1042657 CC1=CC=C(C=C1)C2=C(C(=O)C=C(N2C3=CC=CC=C3)O)C(=O)C 1 3.921 1 3 -0.118402297156723 1042656 CC(=NN1CCN(CC1)CC2=CC=CC=C2)C3=CC=C(C=C3)Br 1 3.833 3 0 3.65973661011361 1042655 CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC=C(C=C3)C(=O)OC)C 1 3.887 2 3 -16.0287342205949 1042654 CC(=O)C1=C(N(C(=CC1=O)O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl 1 4.1 1 3 1.7035963934301 1042653 C1=CC=C(C=C1)C2=C(C(=O)C(=O)N(N2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4 1 3.487 2 3 -3.87093672884818 1042628 COC(=O)C1=NN(C(=C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 1 5.554 2 3 -2.56541779985788 1042615 C1=CC(=CC=C1C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl)[N+](=O)[O-] 1 3.407 4 4 0 -9.80306219583941 1042602 C1=CC(=C(N=C1)Cl)C(=O)NC2=NN=CS2 1 0.811 4 1 0 -6.01945091380021 1042598 C1=CC(=C(N=C1)Cl)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 2.896 3 3 -8.35101849124214 1042586 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC 1 2.76 2 7 0 -17.0851745195846 1042576 COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 4.047 2 3 -7.30406341653194 1042563 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C4CCCC4=C(C5=NC6=CC=CC=C6N35)C#N 1 4.289 6 1 0 -21.1753656735886 1042545 COC(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-] 1 3.126 5 4 0 -16.5663853262444 1042544 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=CC3=CC(=C(C=C3)OC)OC 1 2.868 5 3 0 -20.2074991626993 1042531 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=C(O3)Br 1 4.374 1 2 -7.15007559405643 1042485 COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC3=CC=CC=C32)OC 1 2.663 1 6 0 -13.053213532971 1042482 COC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.7 2 6 0 -21.0937726309402 1042363 CCC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NN=NN4C5=CC=CC=C5 1 5.04 6 1 0 -19.6573220370201 1042343 C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4 1 2.773 4 3 0 -2.14855282358862 1042283 CCC1=CC(=C(S1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC 1 4.947 1 3 -15.9348438014022 1042282 CCOC(=O)C1=C(SC(=C1)C)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.28 1 3 -11.3766824364934 1042164 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCN(CC4)C 1 4.725 3 3 2.34856273709313 1042135 C1=CC=C(C(=C1)C2=NN(N=N2)CC(=O)NN=CC3=CC=C(O3)C4=CC(=CC=C4)Cl)Cl 1 4.744 6 2 0 3.16129086960607 1042096 C1C2(CN3CN1CN(C2)C3)C(=NN=CC4=CC=CC=C4Br)C5=CC(=CC=C5)[N+](=O)[O-] 1 3.829 6 2 0 -1.34670283670715 1041953 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)COC)C3=CC=CC=C3 1 0.869 8 3 0 -28.9070357384202 1041938 CC1=C(C(=CC=C1)C)N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)C 1 2.805 3 3 -14.964583272286 1041912 CN1CCC(=NNC(=O)CN(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C)CC1 1 1.707 4 4 0 -10.5660452316003 1041908 COC1=C(C=C(C=C1)N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)C3=CC=CC=C3)Cl 1 4.514 3 4 0 -18.6783226347966 1041887 COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC(=O)C3=CC=CC=C3Cl 1 4.435 1 4 -12.0938043418723 1041874 CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCOCC3 1 5.021 1 3 -8.00621064121542 1041873 CCOC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)CC3(OCCCO3)C 1 2.133 2 4 -6.49092630888457 1041783 C1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC=CC=C2Br 1 2.74 1 3 -10.8410984651982 1041736 CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCOCC4)C 1 2.513 2 4 -13.8717187015993 1041701 CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=C(C=CC=C3Cl)Cl 1 3.185 9 2 0 -27.3529283084374 1041669 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4 1 3.163 2 4 -14.2105457255893 1041658 C1=CC(=CN=C1)CNC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CO3 1 2.315 3 3 -11.1754799186175 1041649 CC1=CC=CC(=C1)C2=NC3=C(CCCC3)C(=N2)SCC(=O)N4CCOCC4 1 3.712 3 2 -5.5283458596898 1041559 C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=CC=C3C=NNC(=O)C4=CC(=CC=C4)F 1 4.088 2 5 0 -9.99733692370102 1041331 C1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)F 1 3.022 8 2 0 -21.5076969471859 1041330 CS(=O)(=O)N(CC1=CC=CC=C1Cl)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3 1 3.05 3 3 -15.6454391252113 1041318 CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.445 1 6 0 -12.1547184910688 1041299 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 1.68 3 4 0 -18.2093737284385 1041235 C1CN(CCN1CCO)C(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 1.618 3 3 0 -15.2380753179204 1041227 C1CN(CCC1C(=O)N)C(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3 1 1.675 3 3 0 -18.6983947912477 1041226 CC1=CC(=CC=C1)NC2=NC(=S)N(C23CCCCC3)C4=CC=C(C=C4)OC 1 6.376 3 1 1.9788522972162 1041177 C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4 1 3.296 4 2 -11.1747020849401 1041175 CN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] 1 2.231 6 4 0 -9.423384467871 1041096 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)N3CCCCC3 1 3.34 2 3 -11.1310855756083 1040986 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl 1 3.938 3 2 -1.60109014168405 1040976 CC(=O)OC1=C(C=C(C=C1)C2N(CCN2C3=CC=CC=C3)C4=CC=CC=C4)OC 1 5.156 2 3 -11.0707649652591 1040926 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 1.616 3 3 0 -12.6701634241594 1040864 COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OC 1 4.188 1 3 -5.31298999631584 1040844 COC1=CC=C(C=C1)NC(=O)CC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)SC 1 5.549 2 2 -6.90733758346323 1040802 C1=CC(=CC=C1C2=NN=C3N2C(=C(C(=C3Cl)Cl)C#N)Cl)Br 1 5.075 4 0 -1.28889419554569 1040797 CC1=CC=C(C=C1)C2=NN(C(=C2)NC=C(C(=O)C)C(=O)C)C3=CC=CC=C3 1 3.843 3 2 2.96981888816325 1040793 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=S)N3CCOCC3 1 4.181 2 3 -10.2781324176478 1040766 C1=CC=C(C=C1)COC(=O)NCC(=O)OC2=CC=C(C=C2)S(=O)(=O)N 1 1.589 2 6 0 -14.3337072772524 1040672 CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C(=C4)OC)O)[N+](=O)[O-])C(=O)C1)C 1 3.352 1 7 0 -13.7476821304262 1040629 CC(C)(C)S(=O)(=O)C1=CC=CC=C1C2=NOC(=C2C(=O)N)C3=CC=CC=C3 1 3.5 2 4 -4.26441884362448 1040608 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C2=NN=C(O2)C3=CC=C(C=C3)Br)Cl 1 4.281 3 3 -3.89069773192422 1040566 COC1=C(C=C(C=C1)C(=O)NN=CC2=CC=C(O2)N3CCOCC3)OC 1 2.02 3 5 0 -9.09099192245618 1040562 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC=C3 1 1.098 3 5 0 -17.7760701577552 1040554 C1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=CC(=C3)Cl)OC4=NC5=CC=CC=C5N=C42 1 5.037 3 3 -0.62435527097728 1040545 CCOC(=O)COC1=CC(=C(C=C1)/C=C/[N+](=O)[O-])OCC(=O)OCC 1 1.888 1 8 0 -1.14228002360058 1040466 CC1=CC(=C(C=C1C2=CC=C(O2)C=NC3=C(N=C4N3C=CC=C4)C5=CC=CO5)[N+](=O)[O-])C 1 6.119 4 4 0 2.44313433760225 1040419 C1=CC2=NC(=C(N2C=C1)N=CC3=CC=C(O3)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C5=CC=CO5 1 5.812 4 4 0 5.44597859382374 1040417 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=O)COC3=C(C=C(C=C3OC)Br)Br 1 3.24 4 4 0 -8.13574911826832 1040413 C1=CC2=NC(=C(N2C=C1)N=CC3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C5=CC=CO5 1 5.812 4 4 0 6.67261749266737 1040380 C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(O3)C=NNC(=O)C4=CC=NC=C4 1 3.228 5 2 0 -5.69626328352045 1040372 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=CC=CC=C2C(=O)O 1 3.26 1 5 -19.6047575001201 1040311 C1=CC=C(C(=C1)CCC(=O)NN=CC2=CC=C(O2)SC3=CC=CC4=C3N=CC=C4)O 1 4.756 3 3 -8.42938955344836 1040306 C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4 1 4.344 4 2 -14.486889418707 1040275 CC1=NN(C(=O)C1)C2=NC=C(C=C2)C(F)(F)F 1 1.454 3 1 0 0.743913409396766 1040260 CC(C)OC1=CC=C(C=C1)CNC(=S)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 4.419 4 3 0 -10.5207324350353 1040257 CCOC1=CC=C(C=C1)CNC(=S)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 4.041 4 3 0 -10.0857635067447 1040213 CN1C=C(C2=CC=CC=C21)C=NNC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 2.912 4 4 0 -6.6160389951731 1040232 C1COCCN1C2=NC(=NC(=N2)NN=C/C(=C/C3=CC=CC=C3)/Br)N4CCOCC4 1 1.763 7 2 0 -7.57815917531439 1040230 C1COCCN1C2=NC(=NC(=N2)NN=C/C(=C\C3=CC=CC=C3)/Br)N4CCOCC4 1 1.763 7 2 0 -7.57815917531439 1040222 CC1=CC=C(C=C1)C=NNC(=O)COC2=C(C(=CC(=N2)C)COC)C#N 1 2.358 4 3 0 -11.740214713182 1040215 CC1=C(C2=CC=CC=C2N1C)C=NNC(=O)COC3=CC=CC=C3[N+](=O)[O-] 1 3.058 4 4 0 -9.09177948592471 1040138 C1CCC2(CC1)C(=O)NC(=S)N2C3=CC(=CC=C3)Cl 1 4.733 2 1 0.572225013802754 1040189 C1CCCC(CC1)NC(=O)CC2=CC=CC3=CC=CC=C32 1 4.295 1 1 -7.06141591561202 1040178 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN(C3=CC=CC=C3)C(=O)C4=CC=CC=C4F)O 1 4.788 2 3 -17.922268893548 1040166 COC1=C(C=C(C=C1)Cl)NC(=O)CCC2=CC=CC=C2 1 3.753 1 2 -7.63176851866663 1040068 CC(C)NC1=NC(=NC(=N1)Cl)NN(C)C2=NC(=NC(=N2)N(C)C)N(C)C 1 1.172 11 0 0 -8.15517472723429 1040066 CC(=NNC(=O)C1=CC=C(C=C1)Cl)C2=CC=C(S2)Br 1 3.849 2 1 -5.13668452894415 1040061 CC1=C(OC(=C1)C(=O)NC2=CC=CC=C2)C 1 2.641 1 2 -2.35094584120186 1040119 CC1=NN2C(=CC(=NC2=C1C(=O)N3CCOCC3)C4=CC=C(C=C4)Cl)C(F)(F)F 1 3.469 4 2 -9.453096464051 1040117 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=CS5 1 4.329 5 1 -11.3734038660689 1040002 CC1=CC=C(C=C1)C2=NN3CC4=CC=CC=C4C3=N2 1 3.58 3 0 5.52568017838418 1040047 CCCS(=O)(=O)C1=C2C=NC=CN2C(=C1S(=O)(=O)CCC)C(=O)C3=CC=C(C=C3)Cl 1 3.669 2 5 0 -11.5823603846758 1040044 CC1=CC(=C(C(=C1NC(=O)C2=CC=CS2)C)NC(=O)C3=CC=CS3)C 1 4.764 2 2 -3.31583420541012 1040019 CCSC1=NC(=O)N(C(=C1C(=S)C)C)C2=CC=CC=C2 1 3.689 2 1 -7.50471104729181 1039936 C1CC1C(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CS4)N 1 4.625 2 1 -3.7411672415202 1039931 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)CC=C)C 1 3 5 3 0 -37.4649630488578 1039919 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 2.587 3 5 0 -16.4356043337556 1039883 COC1=C2C=C(SC2=NC=N1)C3=CC=CC=C3 1 3.444 2 1 6.32698233946588e-003 1039878 CC1=CC2=C(C=C1)NC(=O)C(=C2C3=CC=CC=C3)CNS(=O)(=O)C4=CC=CC=C4 1 3.672 2 3 -7.43836063260155 1039828 CC(=O)NC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 2.899 2 3 -6.14724960078552 1039821 C/C(=C/C1=CC=CC=C1)/C=NNC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.756 7 2 0 -5.96511607657361 1039789 C1=COC(=C1)C=NNC(=O)COC2=C(C=C(C=C2Br)Br)Br 1 4.159 2 3 -2.40339822287831 1039741 C1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4 1 4.728 2 2 -9.2693740460942 1039727 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=NC=C(C=C2)Cl)C 1 2.968 3 3 -13.1309719697796 1039688 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br 1 3.694 2 2 -8.47647996064981 1039675 CN(C1=CC=CC=C1)C2=CC=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)OC 1 4.422 3 2 -3.88639061287367 1039629 COC1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2OC(=O)C3=CC=CC=C3 1 4.098 2 4 -8.80475820236116 1039593 COC1=C(C=C2C(=C1)CC3(CCCC3)N4C2=NN=C4C5=CC=CO5)OC 1 3.945 3 3 -1.20646650955382 1039500 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCNC(=O)C3=CC=CS3 1 2.474 2 3 -21.5636067439679 1039284 CCOC(=O)CSC1=NN=C(N1CC=C)CSC2=NC3=CC=CC=C3S2 1 4.1 4 2 -20.9387124755697 1039283 C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCN(CC3)CCO)SC4=C2CCC4 1 2.25 4 3 0 -30.8435380870348 1039277 C1=CC=C2C(=C1)N=C(O2)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 2.773 3 4 0 -9.42147751859053 1039269 CC(=NN1CCN(CC1)C2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=NC=C5 1 3.235 4 0 -0.102416067040114 1039268 CC(=NN1CCN(CC1)C2C3=CC=CC=C3C4=CC=CC=C24)C5=CN=CC=C5 1 3.235 4 0 -0.144633816998565 1039265 CC(=NN1CCN(CC1)C2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CO5 1 3.781 3 1 2.26974800457279 1039261 COC1=CC(=CC(=C1OC)OC)C=NN2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35 1 4.356 3 3 -2.40620573601122 1039259 C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)N=CC5=CC(=CC=C5)O 1 4.163 3 1 3.42213917942294 1039198 CC1=CC=CC2=NC(=C(N12)Br)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-] 1 4.127 5 2 0 -1.4786374062551 1039195 C1=CC(=CC=C1C(=O)NNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)O 1 2.408 2 5 0 -7.96625277472963 1039147 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)OC 1 2.068 4 5 0 -17.9364266576213 1039064 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)OC 1 3.613 2 5 0 -11.2180102891397 1038870 CC1=C(C(=CC=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N)C 1 3.65 4 2 -13.005768458803 1038782 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4 1 3.266 2 4 -4.42358967024656 1038670 CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CCC(=O)O 1 3.538 2 5 0 -26.1649672823249 1038543 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CCN(CC3)CC4=CC=CC=C4 1 4.957 3 3 -0.942898011582116 1038481 CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F)F 1 3.691 2 2 -3.78730714248733 1038411 CC1=CC(=C(C(=C1)C)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O)C 1 4.472 4 2 -17.1800197993182 1038406 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NN=C(O4)C5=CC=CO5 1 4.763 3 3 -7.61123275539677 1038405 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C4=NN=C(O4)C5=CC=CO5 1 4.763 3 3 -5.91418588832532 1038324 CC1=C(C=C2C(=C1)C3=C(C(N2)(C)C)SSC3=NC4=CC=C(C=C4)S(=O)(=O)N)C 1 4.372 3 2 -15.7681942844673 1038316 CC(=O)NC1=C(C=C(C=C1Br)N2C(=O)CCC2=O)Br 1 1.607 2 3 0 -10.156998123778 1038263 C1CCN(CC1)CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC=C(C=C4)Cl 1 4.598 4 1 -3.80952628482375 1038223 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4O 1 4.489 2 3 -1.40334686904157 1038210 CCOC(=O)CCSC1=NC(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3 1 2.793 3 4 0 -22.0645058699399 1037912 C1=CC(=CC=C1C#N)C2=CSC(=N2)NNC(=O)C3=CC=C(C=C3)Br 1 3.571 4 1 0.789375892509192 1037910 CC1=CC=C(C=C1)C(=O)NNC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C 1 2.55 4 2 -0.780974690666192 1037907 C1=COC(=C1)C(=O)NNC2=NC(=CS2)C3=CC=C(C=C3)Br 1 3.087 3 2 3.30227010679381 1037887 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)C3=CC=CC=C3 1 2.064 4 2 -1.57662225817554 1037842 CC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC(=CC=C3)C 1 4.521 1 3 -3.69365139624095 1037826 CCN(CC)C(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.61 3 4 0 -16.2656593499604 1037825 CC1=C(C=C(C=C1)NC(=O)C2(CCCCC2)NC(=O)C3=CC=CC=N3)Br 1 4.114 3 2 -10.3818269721777 1037742 CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC)N(C(=O)N(C2=O)C)C 1 1.475 5 5 0 -25.9039879302263 1037536 CC1=CC=C(C=C1)C(=O)NC2=C(C=NN2C3=CC=CC=C3)C(=O)NCC4=CC=CO4 1 3.425 4 3 0 -12.6030833708819 1037259 CC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 4.028 3 3 -0.576378181517289 1037240 C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 1 5.382 2 3 1.95508089571679 1037220 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4C(=O)O3 1 3.628 2 4 -11.4922964451433 1037200 C1=CC=C(C=C1)C2=C(N(C(=CC2=O)C3=CC=NC=C3)C4=CC=C(C=C4)Cl)O 1 4.737 2 2 3.39762938783404 1037195 CC1=CC(=C(C(=C1)C)C2=C(N3C4=C(C=C(C=C4)OC)SC3=NC2=O)O)C 1 5.343 2 3 -5.98447309823953 1037185 CC(C)C1=C(C(=O)C(=C(N1C2=CC=C(C=C2)F)O)C3=CC=CC=C3)Cl 1 5.406 1 2 3.57254112369508 1037184 CC(C)(C)C1=C(C(=O)C(=C(N1C2=CC=CC=C2)O)C3=CC=CC=C3)Cl 1 5.474 1 2 3.03760304996126 1037178 CC1=CC=C(C=C1)N2C3=C(C(=O)CC(C3)(C)C)C(=O)C(=C2O)C4=CC=CC=C4 1 4.986 1 3 -6.64380653619802 1037176 COC1=CC=C(C=C1)C2=C(N(C(=C(C2=O)C#N)C3=CC=CC=C3)C4=CC=C(C=C4)OC)O 1 5.03 2 4 -0.229496801343764 1037169 C1=CC=C(C=C1)CC2=C(N(C(=CC2=O)C3=CC=CS3)C4=CC=CC=C4)O 1 5.633 1 2 -3.39311245692226 1037166 CCC1=C(N(C2=[N+](C1=O)N=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)[O-] 1 4.896 3 2 0.910881752273766 1037079 COC1=CC=C(C=C1)N2C(=NN=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 5.474 3 1 6.43051583275374 1037069 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CC3=CC4=C(C=C3)OCO4)C 1 3.788 1 5 -3.8799025521697 1037023 CC(=NOC(=O)C1=CC(=C(C=C1Cl)F)F)CN2C3=CC=CC=C3N=N2 1 3.853 4 2 -4.41136262259816 1036924 CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C 1 5.701 3 3 -15.4119420543263 1036905 CCC1=CC(=C(S1)NC(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OCC 1 3.203 1 5 -14.9164042756614 1036899 CC1(CC(=O)C(=C2C3=CC=CC=C3CC4(N2)CCCCCC4)C(=O)C1)C 1 4.163 1 2 -10.3901696971673 1036862 CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O 1 2.208 2 5 0 -12.6719648819053 1036857 CN1C=C(C(=N1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl)Br 1 2.362 4 2 -2.65642333179533 1036850 C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NN=CS3 1 0.557 4 4 0 -23.3830591322344 1036832 CN1C=C(C(=N1)C(=O)NNC(=O)C2=CC=C(C=C2)Br)Br 1 2.446 4 2 -4.68991180593986 1036809 CC1=CC2=C(C=C1C)N3C(=O)C(=CC4=CC=C(O4)C5=CC=CC=C5C(=O)O)SC3=N2 1 5.809 2 4 -8.5202141127467 1036710 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)COC5=CC=CC=C5 1 3.549 6 3 0 -26.1091847500529 1036546 C1CN(CCC1C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.716 2 5 0 -21.6448911644652 1036542 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C(C)(C)C)C4=CC=C(C=C4)OC 1 4.122 4 2 -13.7483449842483 1036533 COC1=C(C=C(C=C1)C=NNC(=O)CN2C=NC3=CC=CC=C3C2=O)OC 1 1.628 4 4 0 -14.431644107881 1036531 C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NN=CC3=CC=C(C=C3)Br 1 2.409 4 2 -9.77415540367223 1036512 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)OC 1 4.382 1 5 -10.8260688044921 1036446 CCOC(=O)C1=C(C2=CC=CC=C2N=C1)NC3=CC4=C(C=C3)OCCO4 1 3.556 2 4 -1.94804214430355 1036441 CC1=C(SC(=N1)N)C(=O)NN=CC2=CC(=C(C(=C2)OC)OC)OC 1 1.458 4 4 0 -6.80510968597449 1036389 C1=CC(=CN=C1)C2=NC(=C(C=C2)C#N)SCC3=C(C=C(C=C3)Cl)Cl 1 5.347 3 0 -5.6043404078544 1036385 COC1=C(C=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CC=C4)N)OC 1 4.603 2 3 -5.88389626678881 1036292 CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OCC 1 3.368 1 6 0 -15.0710303644549 1036241 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(S2)NC(=O)CN3CCOCC3 1 1.81 5 3 0 -23.1473278651377 1036059 CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O 1 4.056 2 3 -4.75652149838148 1036045 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4O3 1 4.187 3 2 -4.36273047910053 1036022 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCCCCC3)C4=CC=C(C=C4)Br 1 3.26 9 2 0 -26.5626034486258 1036004 C1=CC=C2C=C(C=CC2=C1)NC(=O)CSCC3=CC=C(C=C3)C(=O)O 1 3.553 1 3 -8.79447636681758 1036003 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CCC(CC3)C 1 4.586 2 3 -5.31036551094514 1036002 CCOC1=CC=CC=C1C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCCCCC4 1 2.864 9 3 0 -24.8189091007753 1035996 C1=CC=C2C(=C1)N=C(S2)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 3.332 3 3 -11.0471848085054 1035872 C1COCCN1CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CC=C4F 1 1.051 9 3 0 -25.6389535671514 1035832 CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=C2CCN(CC2)C)C3=CC=C(C=C3)C 1 2.542 4 4 0 -13.7745465043437 1035603 C1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C=C(C=C4)Cl)Cl 1 3.404 9 2 0 -20.5293179044721 1035587 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CN3N=C(N=N3)C4=CC=CC=C4Cl 1 2.642 6 3 0 -4.64426139240687 1035550 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4CCOCC4 1 4.681 2 4 -4.0271876199409 1035543 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)F)OC(=O)C3=CC=CO3 1 3.699 2 5 0 -10.0866387069499 1035470 COC1=CC(=CC(=C1)C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC(=CC(=C3)OC)OC)OC 1 3.261 3 6 0 -5.72016105518202 1035509 C1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=NC=C4 1 1.666 9 2 0 -23.8927396213883 1035446 CC1=C(N=NN1C2=NON=C2N)C(=O)NN=C(C)C3=CC=C(C=C3)C4=CC=CC=C4 1 2.651 8 2 0 -24.1281069436171 1035442 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NN=CC3=CN=CC=C3 1 1.608 4 3 0 -14.8062929530767 1035441 C1=CC(=CC=C1S(=O)(=O)NNC(=O)C2=CC=NC=C2)Br 1 1.172 3 3 0 -8.84179089435675 1035440 CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CC=C3)C4=CN=CC=C4 1 1.646 9 2 0 -26.9759871656267 1035430 C1=CC=C2C(=C1)N=C(O2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 5.146 2 2 -1.66864346515423 1035395 CC1=NNC(=NC1=O)SCC(=O)NC2=NC=C(C=C2)Br 1 1.325 5 2 0 -18.0752415578071 1035393 CC1=CC(=CC=C1)NC2=NC(=S)N(C23CCCCC3)C4=CC=CC(=C4)C(=O)O 1 6.022 3 2 -2.40273832814088 1035390 CC1=CC(=CC=C1)NC2=NC(=S)N(C23CCCCC3)C4=CC=C(C=C4)C(=O)O 1 6.022 3 2 -0.892185514899726 1035368 COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4O3 1 3.684 3 3 -6.9377879508691 1035367 C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4 1 4.401 3 2 -1.30873851865682 1035312 CC1=CC(=NC(=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC)C 1 2.924 4 2 -11.0734312880638 1035245 COC1=C(C=CC(=C1)C=NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])OCC(=O)N3CCOCC3 1 1.333 4 8 0 -18.4260277245387 1035238 C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43 1 2.615 4 2 -9.70026273411916 1035234 CC(=O)OC1=C(C=C(C=C1)C2N(CCN2CC3=CC=CC=C3)CC4=CC=CC=C4)OC 1 4.978 2 3 -5.77428344383501 1035119 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4C=C3)OC 1 2.599 3 3 -12.8482042879839 1035114 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2)C(=O)CN3CCCCC3 1 1.555 3 3 0 -18.3735475654747 1035077 CC1=C(C(=S)NC(=C1CC(=O)C2=CC=C(C=C2)Br)C)C#N 1 3.716 2 1 -7.36203848737003 1035021 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN(C)C 1 4.993 2 3 -0.267742835599212 1035013 COC1=CC=C(C=C1)C=NC2=C(N=C3N2CCS3)C4=CC=C(C=C4)OC 1 4.46 3 2 3.72239823007744 1034986 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2Br)C 1 2.645 3 3 -8.43152625822549 1034973 CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(C=C2)Br)C 1 2.452 4 1 -13.6290604728087 1034940 C1=CC=NC(=C1)SC2=CC=C(O2)C=NNC(=O)C3=CC(=CC=C3)Br 1 4.458 3 2 -6.80070998596711 1034931 COC1=CC=CC=C1C=NNC(=O)CC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.296 3 3 -4.02595939571197 1034921 CN(C)C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)N=CC4=CC=C(C=C4)Br 1 5.563 4 0 1.89343269496559 1034879 COC1=CC=CC=C1C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br 1 4.2 3 3 -7.61408946922054 1034876 C1=CC(=CC(=C1)Br)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 3.404 3 3 -0.561847825217819 1034798 COC1=C(C=C(C=C1)Br)C=NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.366 2 5 0 -5.79013384112035 1034849 CC(=O)OC1=CC(=C(C=C1)C=NNC(=O)COC2=CC=CC=C2CC=C)OC(=O)C 1 3.062 2 6 0 -10.112262625092 1034841 COC1=CC(=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Cl)OC 1 4.099 3 4 0 -5.65989421029799 1034835 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=CO2)NC(=O)C3=CC=CC=C3Cl 1 3.527 3 3 -9.33159261933344 1034763 CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)OC(=O)C3=CC=C(C=C3)C 1 5.683 1 3 -6.68721110022838 1034730 CC1(CC2=C(CC3=C(N2C4=CC=C(C=C4)OC)CC(CC3=O)(C)C)C(=O)C1)C 1 4.17 1 3 -9.88191635131283 1034712 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC 1 3.366 2 4 -5.92311246641985 1034656 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)C3=C(C(=C(C=C3)S(=O)(=O)C)Cl)Cl 1 4.225 1 5 -3.11636063075597 1034658 COC1=CC=C(C=C1)N2C3=CC(=O)C(=NN3C(=O)C(=C2O)CC4=CC=CC=C4)C5=CC=CC=C5 1 5.528 3 4 0 -3.60339936264028 1034660 CC1=NN=C(O1)C(=O)C2=C(C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)OC(=O)C 1 1.919 3 5 0 -4.55560242744313 1034667 C1=CC=C(C=C1)C2=NC(=O)C(=C(N2C3=CC=CC=C3)O)C(=O)C4=CC=CC=C4 1 4.503 2 3 -2.81898193763244 1034686 CC1=C(N(C(=C(C1=O)S(=O)(=O)C2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.998 1 4 -4.99479605750418 1034673 CC1=C(N(C(=C(C1=O)S(=O)C2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4 1 4.902 1 3 2.42996655373043 1034641 CC1=CC=C(C=C1)N2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)C#N)N 1 3.546 4 1 0.40420397470429 1034633 C1CCC(CC1)N2C(=NN=N2)C3(CCCCC3)NC4=CC=C(C=C4)Cl 1 5.176 5 0 -15.7635407791687 1034613 CCOC(=O)C1=C(N2C(=C(C(=N2)C3=CC=CC=C3)Br)N=N1)C 1 3.246 4 2 -3.85875192508799 1034612 C1=CC(=CC(=C1)[N+](=O)[O-])NN=C(C#N)C(=O)C2=CC=C(C=C2)Br 1 3.973 4 3 0 -2.38070885769396 1034598 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC=C(C=C3)Cl)N 1 4.535 3 2 -1.61082052740934 1034597 CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC=C(C=C3)OC)N 1 3.854 3 3 -3.77474247850526 1034592 C1CCN(CC1)CCN2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Cl)C4=CN=CC=C4 1 3.614 6 1 0 -10.5254298487401 1034591 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CCN3CCCCC3)C4=CN=CC=C4 1 3.436 6 1 0 -13.1769048789208 1034589 CN(C)C1=CC=C(C=C1)C=NNC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F 1 3.022 5 1 -3.52139416950093 1034588 CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NNC(=O)C2=CC=CO2 1 4.057 3 2 -9.51462090973624 1034586 CC(C)CN(CCOC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)CC(C)C 1 5.327 2 3 -6.31345195285267 1034576 CC1=C(C(=O)N(N1C2=CC=CC=C2)C)NC3=NC4(CCCCC4)CC5=CC=CC=C53 1 4.271 4 1 -5.58470551153586 1034525 COC1=CC=C(C=C1)CN(C2=CC=CC=C2C(=O)O)C(=O)C3=CC=CS3 1 3.97 1 4 -9.48999594394425 1034496 CC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=C(C=C3)Br 1 4.784 1 3 -3.04154472134239 1034495 CC(C)CC1=CSC(=C1C(=O)O)NC(=O)C2=CC=C(C=C2)Br 1 4.429 1 3 -5.68429719863564 1034489 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O 1 3.77 2 5 0 -13.6950533142261 1034468 C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)NC(=O)C4=CC=CO4 1 4.52 3 2 -3.25968449833204 1034461 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)Cl 1 4.431 3 4 0 -19.9853956880335 1034457 CC1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4 1 4.692 2 4 -9.22194995780289 1034454 C1=COC(=C1)C2=NC(=C(O2)NC3=CC=C(C=C3)F)S(=O)(=O)C4=CC=C(C=C4)F 1 4.774 2 4 -5.83063319604745 1034453 COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)F 1 4.553 2 5 0 -5.41728046297404 1034452 C1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)F 1 4.569 2 4 -5.25836261872803 1034443 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Cl 1 3.587 4 3 0 -18.5301459681585 1034432 CC(C)CN1C2=C(C=C(C1=N)C(=O)NC3=CC(=CC=C3)OC)C(=O)N4C=CC=CC4=N2 1 2.006 5 3 0 -20.4847964433263 1034425 CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)C=C1 1 2.922 4 3 0 -21.8663160115995 1034421 C1CCC(C1)N2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)N5C=CC=CC5=N3 1 2.959 4 3 0 -21.4108953050129 1034418 C1=COC(=C1)C2=NN=C3N2N=C(S3)C4=CC=C(O4)C5=CC=C(C=C5)Cl 1 4.643 4 2 4.11875518151449 1034416 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)COC2=CC=CC(=C2)NC(=O)C 1 1.631 2 5 0 -10.8364841861046 1034415 CC1=CC(=CC=C1)OCC(=O)NS(=O)(=O)C2=CC=C(C=C2)Br 1 3.259 1 4 -5.5723775408431 1034406 C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NC=C(S3)CC4=C(C=CC(=C4)Cl)Cl 1 4.607 6 1 0 -19.5338796196086 1034363 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=NC=CN=C3)C 1 2.144 6 1 0 -13.7646598531604 1034356 CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5 1 3.314 6 1 0 -4.47389251691137e-002 1034354 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C 1 3.511 4 2 -3.95105364659176 1034298 CC1=C(C=C2C=C(C=CC2=N1)F)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 3.584 2 3 -7.36655825215698 1034297 C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC(=C(N=C3)Cl)Cl 1 1.086 5 2 0 -9.57421924401202 1034262 CN(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC(=CC=C3)OC 1 2.605 1 6 0 -9.04517485936105 1034260 COC1=CC=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)N4CCOCC4 1 2.293 1 7 0 -10.2143788308517 1034259 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)N(C)C)OC3=CC=C(C=C3)OC 1 3.119 1 6 0 -7.36396066317463 1034248 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=N4)N=C2C5=CC=CC=C5 1 5.361 4 1 -0.825532886276387 1034247 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)NC4=CN=CC=C4)N=C2C5=CC=CC=C5 1 4.822 4 1 -1.86947757794055 1034233 C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC(=C(N=C3)Cl)Br 1 1.17 5 2 0 -7.48797827967068 1034231 C1=CC(=NC=C1Cl)NS(=O)(=O)C2=CC(=C(N=C2)Cl)Br 1 2.842 3 2 0.155099076553121 1034230 C1=COC(=C1)CNS(=O)(=O)C2=CC(=C(N=C2)Cl)Br 1 1.977 2 3 0 -3.05729415100881 1034227 CC1CCN(CC1)S(=O)(=O)C2=CC(=C(N=C2)Cl)Br 1 2.587 2 2 -11.7725327553735 1034224 CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(N=C2)Cl)Br 1 1.724 3 2 0 -10.0845668491075 1034223 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC(=C(N=C2)Cl)Br 1 3.117 2 2 -1.96405204257331 1034222 C1CCCN(CC1)S(=O)(=O)C2=CC(=C(N=C2)Cl)Br 1 2.791 2 2 -9.05104450200846 1034221 CC1=CC(=NC=C1)NS(=O)(=O)C2=CC(=C(N=C2)Cl)Br 1 2.663 3 2 -0.669659993347569 1034218 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC(=C(N=C3)Cl)Br 1 3.069 2 2 -9.64094112504235 1034215 CC1=NC(=CC=C1)NS(=O)(=O)C2=CC(=C(N=C2)Cl)Br 1 2.46 3 2 -0.455051996430562 1034214 COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC(=C(N=C2)Cl)Br)OC 1 3.084 2 4 -5.70015597952853 1034200 CCN(CC)C(=O)CC1=C(C=CC2=C1C=CC(=C2)Br)OC 1 3.616 1 2 -4.23493292786361 1034195 CC(C)(C)NC(=O)CC1=C(C=CC2=C1C=CC(=C2)Br)OC 1 3.644 1 2 -7.28790901278889 1034182 CC(C)NC(=O)C1=CC=C(C=C1)N2C3=C(CCCC3)C(=N2)C(F)(F)F 1 4.744 3 1 -10.8228347118056 1034157 COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NC3=CC=C(C=C3)Cl)OC 1 3.578 1 4 -4.57997918204298 1034156 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C)C 1 3.38 2 4 -3.84912896558965 1034155 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)C)C 1 3.701 2 4 -3.12421140538508 1034153 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC)C)C 1 4.91 2 3 5.51347462354551 1034152 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C)C 1 4.838 2 2 7.27042901891957 1034068 CC1=C(SC=C1)C=NNC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 3.005 4 1 -2.23969758441882 1034071 CC1=CC(=C(C=C1)CN2CCN(CC2)N=CC3=CC=C(C=C3)C(=O)OC)C 1 3.932 3 2 -2.80547191030861e-002 1034075 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3 1 2.853 4 4 0 -5.02585162850772 1034077 COC1=C(C=C(C=C1)C=NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3)OC 1 2.87 4 3 0 -5.63572200286239 1034080 C=CCN1C(=O)C2=C(N=C1SCC(=O)N(CCO)CCO)SC3=C2CCC3 1 1.753 3 4 0 -34.9189621059905 1034081 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCOCC3)CC=C)C 1 2.224 3 3 -30.2120411249739 1034086 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NCCN2CCOCC2 1 1.283 2 5 0 -12.3135667634188 1034118 C1CN(CCN1S(=O)(=O)C2=CC=CS2)S(=O)(=O)C3=CC=CS3 1 1.104 2 4 0 -12.606927960772 1034096 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CCN2CCN(CC2)CC3=CC=CC=C3 1 2.765 4 4 0 -5.85630547541627 1034001 CC1=C([C@@H](NC(=O)N1CC2=CC=CC=C2)C3=CC=C(C=C3)Br)C(=O)OC 1 3.602 2 3 -16.4330252260452 1033988 COC1=C(C=C(C=C1)CCNC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl)OC 1 2.87 2 4 -3.40812193852768 1033987 CCOC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl 1 3.186 2 3 1.17450916333384 1033986 COC1=CC(=C(C=C1)OC)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl 1 2.82 2 4 -0.165397030866139 1033972 CCOC1=CC=CC=C1NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC)Cl 1 3.162 2 4 -7.68961802766321 1033970 COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=C(C=C(C=C3)OC)OC 1 2.797 2 5 0 -8.22003439422218 1033967 COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3OC 1 2.813 2 4 -6.79863737850883 1055954 CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.076 3 2 -8.96626109711591 1055931 C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=C5 1 3.426 3 4 0 -7.84711842304746 1033953 COC1=CC(=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC=CC=C3)Cl)OC 1 2.813 2 4 -7.85271077004213 1033936 C1=CC=C(C(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl)C(=O)O 1 5.217 4 3 0 -11.9260805302061 1033933 CC1=CC=C(C=C1)CN2CCN(CC2)N=C(C)C3=CC=C(C=C3)OC(=O)C 1 3.339 3 2 1.4586337251009 1033471 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl 1 5.56 2 1 7.41002082775054 1033469 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.569 3 3 -14.419820817672 1033466 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F 1 3.113 3 3 -14.419820817672 1033463 CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4 1 3.616 3 4 0 -12.7047402749931 1033461 CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)COC3=CC4=C(C=C3)OCO4 1 4.28 3 4 0 -10.087094016897 1033407 CC(=O)NC1=C(C2=C(S1)CCCC2)CN3CCN(CC3)C4=CC=C(C=C4)F 1 4.028 3 1 -3.22646629927486 1033387 CCOC1=CC=C(C=C1)NC(=S)NS(=O)(=O)C2=C(C=CC(=C2)Br)OCC 1 4.882 2 4 -9.25948911240287 1033247 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCCC4)S(=O)(=O)C5=CC=C(C=C5)Cl 1 3.861 4 3 0 -22.1216701935767 1033244 CCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)N4C=CC=C(C4=N2)C 1 2.697 4 3 0 -22.0962709969127 1033239 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)S(=O)(=O)C5=CC=CC=C5 1 2.104 4 4 0 -23.2799085568261 1033230 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(=O)NCC4=CN=CC=C4 1 2.82 3 3 -19.5234613376442 1033204 CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC(=CN4C3=O)C)N(C2=N)C5CCCC5 1 3.227 4 3 0 -24.1026272158991 1033203 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)S(=O)(=O)C5=CC=C(C=C5)Cl 1 3.405 4 3 0 -21.7672016794086 1033183 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCCC4)S(=O)(=O)C5=CC=CC=C5 1 3.197 4 3 0 -24.8396785233997 1033156 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)C4=CN=CC=C4 1 2.584 3 2 -8.96839136260413 1033065 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.752 4 3 0 -16.1047300530332 1032988 CC1=CC=C(C=C1)CN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)N5C=CC=CC5=N3 1 3.448 4 3 0 -20.0073423217875 1032984 CC1=CC=C(C=C1)CN2C3=C(C=C(C2=N)C#N)C(=O)N4C=CC=C(C4=N3)C 1 2.441 5 1 -16.5746307882487 1032969 C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)C3=CC=C(C=C3)Br 1 5.399 2 1 -11.5501132833749 1032904 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC4=C(C=C3)OCCO4)OC 1 3.539 2 5 0 -3.05281797792987 1032881 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)N 1 0.663 4 3 0 -12.6840325772734 1032837 CCS(=O)(=O)NCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4 1 2.712 5 2 0 -4.98294857220566 1032836 CCS(=O)(=O)NCC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=C4Cl 1 3.46 5 2 0 -6.32613580315834 1032832 CS(=O)(=O)NCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4 1 2.363 5 2 0 -4.03003028615229 1032830 CC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=C4Cl 1 4.261 4 0 0.620944871747269 1032825 COC1=CC=CC=C1C2=NCC3=NN=C(N3C4=C2C=C(C=C4)Cl)CSC 1 3.977 4 1 -4.29357452095612 1032811 CSCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4 1 3.994 4 0 -1.80468708777018 1032660 CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)O 1 5.699 2 3 -4.20211445751067 1032608 C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] 1 4.846 5 3 0 -3.97306335385081 1032606 CCC1=NNC(=S)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)Br 1 4.703 4 1 -1.74696782579194 1032559 CC(=NN=C(C)C1=C(C=C(C=C1)OC)OC)C2=C(C=C(C=C2)OC)OC 1 3.39 2 4 -0.407845589869381 1029232 COC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)CSC5=CC=CC=C5 1 4.748 4 4 0 -4.44936096362618 1028514 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3CCCCC3)C 1 2.599 5 3 0 -13.6584304295989 1028504 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC5=CC=CC=C54 1 3.369 3 3 -3.32588086028721 1028501 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C 1 2.29 4 4 0 -7.08290300583347 1028488 CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)OCC 1 2.757 5 4 0 -7.48911491824981 1028458 COC1=CC=C(C=C1)C2=NN=C(O2)SC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 1 5.623 3 3 0.376060385428537 1028457 CN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)N)Br 1 2.157 4 2 -10.9821506216202 1028455 CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N 1 5.301 3 1 -24.7535649130269 1028443 CN1C(=C(C=N1)Br)C(=O)NN=CC2=CC=C(C3=CC=CC=C23)OC 1 3.265 4 2 -2.34271575097919 1028439 C1CC2=C(C1)C=C(C=C2)OCC3=CC=C(O3)C(=O)NN=CC4=CC5=CC=CC=C5C=C4 1 5.689 2 3 -6.52165029155883 1028426 C1CC2=C(C1)C=C(C=C2)OCC3=CC=C(O3)C(=O)NN=CC4=CC(=CC=C4)O 1 4.538 2 4 -6.19779531527372 1028419 CN1C=C(C(=N1)C(=O)NN=CC2=CC3=C(C=C2Cl)OCO3)Br 1 2.942 4 3 0 -4.66634987558684 1028404 CN1C=C(C(=N1)C(=O)NC2=NC=C(S2)Br)Br 1 2.006 4 1 -5.14821846200121 1028395 C1CCC(CC1)NC(=O)NNC(=O)C2=C(C3=C(S2)C=CC=C3Cl)Cl 1 4.543 3 2 -3.36881653977661 1028390 CCOC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC5=C(C=C4)OCO5 1 4.917 3 4 0 -11.0365568377611 1028373 CC(=NNC(=O)COC1=CC=CC=C1[N+](=O)[O-])C2=CC(=CC=C2)NC(=O)C3=CC=NC=C3 1 2.027 5 5 0 -13.7824070973801 1028370 CC1=NN(C(=C1Br)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C 1 1.492 4 3 0 -5.677212706019 1028355 CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=NC4=CC=CC=C4N3CC5=CC=CC=C5)[N+](=O)[O-] 1 5.882 4 5 0 -9.09985995234112 1028344 CCOC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CN=CC=C4 1 3.998 4 2 -9.30143126489763 1028343 CC1=CC=C(O1)C=NNC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br 1 3.112 5 5 0 -7.87693901559351 1028314 CC1=NN(C(=C1Cl)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)COC3=CC=C(C=C3)Cl)C 1 3.836 5 3 0 -8.85909001501282 1028297 CC(=NNC(=O)CC1=CC=C(C=C1)OC)C2=CC=C(S2)Br 1 3.203 2 2 -6.20386631503049 1028288 C1=CC=C2C(=C1)C=CC=C2CC(=O)NNC(=O)NC3=CC(=CC=C3)Cl 1 3.387 3 2 -3.72076154162606 1028268 CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CC(=CC=C2)NC(=O)C3CC3 1 2.436 4 4 0 -12.3156002699916 1028261 CC(=NNC(=O)C1=CC=CC=C1OC)C2=CC=C(C=C2)NC(=O)C3CC3 1 2.525 3 3 -11.7409273667466 1028257 CC1=CC=CC(=C1)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 3.33 3 3 -8.34392893542032 1028255 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=NN(C=C2Br)C)OCC3=CC=CC=C3Cl 1 5.074 4 3 0 -10.6401889890007 1028251 CC(=NNC(=O)C1=CC=CO1)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 2.797 3 3 -11.2387533971832 1028240 CC1=C(C=CO1)C(=O)NN=C(C)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 1.547 4 3 0 -11.1031369435018 1028226 CC1=CC=C(O1)C(=NNS(=O)(=O)C2=CC=C(C=C2)Br)C 1 2.655 2 3 -1.43120419801766 1028221 CC(C)(C)C1CCC(=NNS(=O)(=O)C2=CC=C(C=C2)Br)CC1 1 4.025 2 2 -6.88567829008663 1028220 CCOC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br 1 3.47 4 3 0 -6.75986812117008 1028219 COC1=CC=CC=C1NCC2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)SCC(=O)NN=CC4=CC=CO4 1 5.058 6 3 0 -15.306178478051 1028218 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br 1 3.3 5 2 0 -8.24196513893057 1028213 C1=CC(=C(C=C1NC(=O)NC2=C(C=C(C=C2)Br)F)Cl)Cl 1 4.805 2 1 -0.180797727411043 1028204 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=NN2)COC3=CC=C(C=C3)Cl 1 3.633 4 3 0 -5.88853286297417 1028203 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NN=CC4=CN=CC=C4 1 4.33 4 1 -2.90929797480087 1028200 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=NN2)COC3=CC=C(C=C3)F 1 3.175 4 3 0 -6.99865452809574 1028199 COC1=CC(=CC=C1)OCC2=C(C=CC(=C2)C=NNC(=O)C3=CC=NN3)OC 1 2.953 4 4 0 -8.75521149382847 1028194 CCOC(=O)N1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=C(C=C2)C 1 3.61 3 3 -9.63983584506061 1028192 CN1C(=C(C=N1)Br)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 3.155 6 1 0 -8.64337061635217 1028188 C1=CC(=NC(=C1)NC(=O)/C=C/C2=CC=CS2)NC(=O)/C=C/C3=CC=CS3 1 4.169 3 2 -4.91566537704688 1028170 CC(=NNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)OCO3 1 2.799 2 4 -4.77361113424445 1028168 COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2C(=O)NCCC3=CC=C(C=C3)OC 1 4.022 2 4 -7.22629973870488 1028096 CN1C=C(C(=N1)C(=O)NN=CC2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-] 1 2.172 5 5 0 -9.1833731831389 1028072 CC1=NC2=C(C=CC=C2NC(=S)NC(=O)C3=C(C=NN3C)Br)C=C1 1 3.924 5 1 -8.22949630955979 1028060 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2O)CN3C=C(C=N3)Cl 1 3.322 4 3 0 -6.91535598703154 1028045 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)Br)CN3C=C(C=N3)Cl 1 4.313 4 2 -10.4930698808483 1028004 COC1=C(C(=C(C(=C1)C(=O)NN=CC2=CC=CC=C2)[N+](=O)[O-])OC)OC 1 2.528 3 6 0 -6.32171210190706 1027935 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN=CC2=CSC=C2 1 3.342 2 4 -12.7409688328422 1027902 CCOC1=C(C=CC(=C1)C=NNC(=O)CN2CCOCC2)OCC3=CC=C(C=C3)C(=O)O 1 -0.793 3 6 0 -14.1817962608054 1027817 CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCN(CC2)CC3=CC=CC=C3 1 2.951 3 2 -2.14081591931652 1027798 C1CCC(CC1)NC(=O)NNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.512 3 3 -10.6473988879742 1027762 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC3=C(C=C2Br)OCO3 1 3.389 2 4 -1.50819780168036 1027580 C1CN(CCN1C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CO3 1 1.882 3 5 0 -7.85987275679368 1027508 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5 1 3.112 5 2 0 0.199998344836382 1027437 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CC=C(O3)Br 1 3.215 2 2 0.443940966968441 1027392 COC1=CC(=C(C=C1)C=NNC(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43)OC 1 4.154 2 4 -0.68379688699898 1027389 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43)OC 1 4.154 2 4 -5.47543480220675 1027380 CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=NNC(=S)N)OC)C 1 3.375 4 3 0 -13.110374631385 1027377 CC1=CC(=C(C=C1C)Br)NC(=O)COC2=C(C=C(C=C2)C=NNC(=O)N)OC 1 3.133 4 4 0 -13.7938334999729 1027375 CCOC1=C(C=CC(=C1)C=NNC(=O)N)OCC(=O)NC2=CC(=C(C=C2)C)C 1 2.733 4 4 0 -14.7190767639909 1027373 CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=NNC(=O)N)OC)C 1 2.385 4 4 0 -14.0353461005628 1027369 CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C=NNC(=O)COC3=C(C(=CC(=N3)C)COC)C#N 1 3.982 5 3 0 -8.57860472139149 1027119 CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCOCC3 1 1.737 3 3 0 -15.656191592553 1027113 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC4=CC=CC=C4O3)Br 1 3.794 2 4 -1.40262563678852 1027088 C1COCCN1C2=C(C=C(O2)C=NC3=CC=C(C=C3)O)Br 1 3.302 2 3 5.68881286306181 1026952 CN1C(=NN=C1SCC(=O)O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl 1 4.003 4 3 0 -13.3429034957769 1026892 C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=C3C(=O)N4C5=CC=CC=C5N=C4S3 1 3.982 3 3 -11.2836971262636 1026634 CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)O 1 4.037 2 3 -6.30094403441406 1026632 C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)O 1 3.55 2 3 -7.22410925973017 1026625 CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=C(C=C4)C 1 4.657 3 3 -0.830494467623631 1026623 CC1=CC=CC(=C1)C2=NN=C(O2)C3=CC(=CC=C3)NC(=O)CC4=CC=CS4 1 4.313 3 2 -1.3079658707817 1026612 COC1=CC(=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC=CO3)OC 1 2.761 2 5 0 -6.12025034439106 1026609 COC1=C(C=C(C=C1)CC(=O)NC2=CC=CC=C2NC(=O)C3=CC=CO3)OC 1 2.796 2 5 0 -12.559778096956 1026585 CCOC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C)NC(=O)C3=CC=CO3 1 3.613 2 4 -8.70774851867073 1026584 CC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CC=C3OC 1 3.264 2 4 -8.32705030699319 1026582 CCOC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C)NC(=O)C3=CC=CO3 1 3.613 2 4 -8.76048268374857 1026574 CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC=C(C=C2)Br 1 3.537 2 2 -14.4371766288269 1026572 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC=C(C=C2)Br 1 3.797 2 2 -12.0741680442919 1026571 C1=CC(=CC(=C1)NC(=O)CC2=CC=CS2)C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.017 2 4 -12.9551526227823 1026561 CCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)C(=O)NCC(C)C 1 4.095 2 3 -10.9936040034587 1026560 CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=O)CC4=CC=CS4 1 5.026 2 2 1.66908936788267 1026551 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)CC4=CC=CS4 1 4.313 3 2 -5.44990005987692 1026537 CCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(C=C4)C 1 4.657 3 3 -4.25231220827181 1026525 COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC=C(O3)Br)OC 1 3.071 1 5 -6.7225238809143 1026516 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)OC3=CC(=C(C=C3)C(=O)O)C(=O)O)C 1 4.406 1 6 0 -5.88720423143897 1026494 CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=C3C=CC=C4C3=C(C=C2)C(=O)NC4=O 1 3.585 2 4 -7.3510619260776 1026487 C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4 1 2.086 3 3 -13.3011180081965 1026477 C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4)O 1 2.17 2 5 0 -7.14318153341774 1026475 C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4)C(=O)O 1 2.042 2 6 0 -12.1473588303479 1026469 C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)NC(=O)CCC(=O)O 1 3.64 3 4 0 -6.38599545586235 1026436 C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)C(=O)O 1 1.716 3 5 0 -13.9050245956338 1026398 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CN=CC=C5 1 1.854 3 5 0 -14.2240007183389 1026335 C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)CC(=O)O 1 2.076 2 6 0 -14.1433940418611 1026323 CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C3=CC(=C(C=C3)OCC)Cl)Cl 1 5.022 2 6 0 -8.88400756759848 1026316 CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.77 2 5 0 -14.3691206905213 1026303 CCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC=CC(=C2)C(=O)O)Cl 1 3.905 1 4 -6.76248006556773 1026291 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)NC(=O)C(C)(C)C 1 2.104 3 4 0 -14.9816747539625 1026288 CC1=CC(=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4 1 2.324 3 4 0 -6.27090929751134 1026263 C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)OC(F)(F)F 1 5.882 1 4 -1.99932705505158 1026230 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5 1 5.945 3 2 -3.91026649802672 1026222 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4)C 1 4.646 3 3 0.964369314740321 1026206 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)CSCC3=C(C=C(C=C3)Cl)Cl 1 4.758 2 4 -14.0778285902705 1026193 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC(=CC=C3)F 1 3.234 2 4 -9.2384331969362 1026164 CC1=C(C=CC=C1NC(=O)CC2=CC=CC=C2)C(=O)NN3C(=O)C4=CC=CC=C4C3=O 1 3.001 3 4 0 -11.7468924851443 1026161 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)O 1 3.524 2 5 0 -4.68589315846025 1026077 CC(C)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4 1 3.274 3 3 -9.08461858152319 1026139 CC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 5.764 1 3 -1.53609217698062 1026135 COC1=C(C=C(C=C1)CC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)OC 1 3.031 2 6 0 -16.4186651215558 1026094 CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O 1 2.374 2 5 0 -12.2025938945243 1026093 CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 2.149 2 5 0 -14.1444275708312 1026092 CC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-] 1 1.687 3 8 0 -9.63609662758976 1026071 CC1=C(C(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4)C 1 3.052 3 3 -8.36890343801611 1025945 COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CO4 1 3.217 3 4 0 -1.17634688152339 1025943 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)/C=C/C3=CC=CO3 1 2.892 2 5 0 -11.69769546834 1025927 CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC=CC=C4C(=O)O3 1 3.753 2 4 -11.9352512915043 1025740 CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(C)C)NC(=O)C3CCC3 1 3.913 3 3 -3.7478901883138 1025715 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=C(C=CC=C3Cl)F 1 3.097 2 3 -20.8480518982542 1025711 C1=CC(=C(C(=C1)Cl)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)F 1 2.231 2 3 -16.5531004800336 1025636 C1CN(CCN1C(=O)CC2=C(C=CC=C2Cl)F)C(=O)C3=CC=CO3 1 2.425 2 3 -10.8065272905019 1025603 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3 1 3.025 2 4 -6.86363539675045 1025592 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 1.441 2 4 0 -6.18341467444507 1025226 C1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)O)N 1 3.884 3 3 -15.9896251120504 1025203 COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC(=CC(=C3)OC)OC 1 3.613 3 4 0 -5.33226927126545 1025062 CC1=C(C(=NC(=C1CC(=O)C2=CC=C(C=C2)Br)C)SCC(=O)NC3=CC=C(C=C3)F)C#N 1 5.437 3 2 -14.1025132894023 1024691 C1=CC=C2C(=C1)N=C(O2)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl 1 5.81 2 2 2.4044828319664 1023977 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CN(C)CC3=CC=CC=C3 1 2.092 7 3 0 -20.0075224590183 1023953 CC1=CC(=NC(=N1)SCC(CSC2=NC(=CC(=N2)C)C)C(=O)O)C 1 2.818 4 2 -9.18538414055964 1023869 C1=CC=C(C=C1)C2=C(C(=NC(=N2)C3=CC=CC=C3)Br)Br 1 5.349 2 0 7.64539951295105 1023823 C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)N)SC3=CC=CC=C3C(=O)O 1 3.191 1 4 -3.46633838894161 1023409 CC1=NC2=C(C=C1)C(=C(S2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N 1 4.134 3 1 -6.12301167199468 1023368 COC1=CC(=CC2=C1OCO2)C3=NC(=C(N3)C4=CC=C(C=C4)F)C5=CC=CC=C5 1 5.356 2 3 4.9161739893256 1023312 COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=CC=C3C#N 1 5.027 4 2 -10.1272952642481 1023309 CC1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C(F)(F)F)C#N 1 5.634 3 2 -9.60721325183315 1023256 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4)OC)OC 1 4.255 2 4 -8.79300414928638 1023211 C1COCCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl 1 3.477 2 2 -5.07392407171059 1023171 CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CS4)C(F)(F)F)C 1 5.587 4 3 0 -23.7797970826821 1023160 CC1=C(SC(=C1C(=O)OC)NC(=O)C2CC2)C(=O)NC3=CC=CC=C3 1 2.912 2 4 -15.1549258709879 1023157 COC1=CC(=C(C=C1)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=C(C=C4)F 1 4.989 3 3 -6.77866983816474 1023154 CC1=CC(=CC(=C1)OCC(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3CCC3)C 1 3.805 3 3 -4.92088768535061 1023152 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br 1 3.34 5 6 0 -8.72980578732158 1023151 CC(=NNC(=O)C1=CC=C(C=C1)Cl)C2=CC(=CC=C2)NC(=O)C3=CN=CC=C3 1 2.962 4 2 -8.75836811033143 1023148 C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC=C(O3)COC4=CC=C(C=C4)Br 1 4.24 2 5 0 -8.4755811106519 1023147 CC(=NNC(=O)C1=CC(=C(C=C1)OC)OC)C2=CC(=CC=C2)NC(=O)C3=CC=NC=C3 1 2.265 4 4 0 -14.8700887612739 1023146 CC1=C(C=NN1C)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4OC 1 3.595 5 2 0 -7.70641238443345 1023145 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=NNC(=O)C3=C(C=NN3C)Cl)C 1 3.54 5 2 0 -9.34116540654698 1023144 CC(=O)OCC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4OC)OC 1 4.558 3 5 0 -13.2021722265473 1022990 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=C(O4)[N+](=O)[O-] 1 3.771 4 5 0 -4.95154018026805 1022956 C1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br)C(F)(F)F 1 4.011 3 2 0.385785019812374 1022903 CC1=CC=C(O1)/C=C(/C(=O)NC2CCN(CC2)CC3=CC=CC=C3)\NC(=O)C4=CC=CC=C4 1 3.229 3 3 -12.8445378185353 1022894 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F 1 4.752 3 2 -0.224609816855406 1022890 CN1C=C(C(=N1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)Br 1 3.364 4 1 3.23793233393078 1022829 CC1=CC(=NN1CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC(C)C)C(F)(F)F 1 3.632 3 3 -18.1559834226272 1022757 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=N4)C 1 4.791 3 1 -8.20060968661931 1022762 CCC1=C(SC(=C1C(=O)OCC)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C 1 3.929 1 5 -10.5139544077075 1022785 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=CC4=C(C=C3)OCO4 1 4.258 2 4 -15.5679277144952 1022457 C1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C3=CC=C(C=C3)C(F)(F)F 1 4.778 2 0 2.38563944604127 1022424 CC1=CC=C(C=C1)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 5.565 1 1 0.657682491027425 1022369 C1CCCC2=C(CC1)C(=C(S2)N3C(=O)NC4=CC=CC=C4N3O)C#N 1 3.957 4 2 -12.7423613345654 1022265 CC(C)(C)N1C(=O)C(=C(C=N1)OC2=CC=C(C=C2)OC3=C(C(=O)N(N=C3)C(C)(C)C)Cl)Cl 1 3.101 4 4 0 -1.07845638184702 1022225 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC3=CC=C(C=C3)NC(=O)C 1 3.593 2 4 -10.3953916596733 1022213 C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Br 1 5.035 2 1 -3.38660620051143 1022064 CN(CC(=O)N1CCOCC1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 -0.133 2 6 0 -12.8743164746698 1022059 CN(CC(=O)NC1=CC=CC=C1OC)S(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 1.534 2 6 0 -13.4124239932431 1022056 CN(CC(=O)NC1=CC=CC=C1SC)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 2.773 2 4 -18.4930435204424 1022051 CN(CC(=O)NC1=CC=C(C=C1)C(F)(F)F)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 3.173 2 4 -9.26448975151935 1022050 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl 1 3.173 2 4 -13.7217423054164 1022018 COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)NCCC3=CC=CC=C3 1 4.008 4 2 -22.5963724566346 1022013 C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CSCC3=CC=CC=C3 1 4.068 4 1 -26.9121782323789 1022012 CC1=CC=C(C=C1)CSCC2=NN=C(N2CC=C)SCC(=O)NCC3=CC=CC=C3 1 4.555 4 1 -25.804331865551 1022011 C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CSCC3=CC=C(C=C3)Cl 1 4.733 4 1 -23.9823331749642 1022010 CC1=CC=C(C=C1)CSCC2=NN=C(N2C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.19 5 1 -13.9546537224331 1022009 CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CSCC3=CC=C(C=C3)C 1 4.287 4 1 -22.7206669641658 1022008 CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CSCC4=CC=C(C=C4)C 1 4.538 5 1 -15.2274662653011 1022007 CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CSCC4=CC=C(C=C4)F 1 3.909 5 1 -13.2427766969678 1022006 CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CSCC3=CC=C(C=C3)F 1 4.006 4 1 -22.0087899387006 1022005 CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CSCC4=CC=C(C=C4)F 1 4.258 5 1 -14.5155892398359 1022004 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3)Cl 1 2.411 2 4 -22.2622705944019 1022003 C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 2.253 3 4 0 -16.005279651274 1022002 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 1 1.176 4 5 0 -30.5202320169283 1022001 CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3 1 1.019 3 4 0 -18.6878669800316 1022000 C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NS(=O)(=O)C3=CC=CS3 1 2.077 2 4 -14.9378180944271 1021998 C1COCCN1C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3 1 1.205 2 4 0 -12.8823344959462 1021996 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 1 2.594 2 4 -14.8991177897502 1021995 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2 1 1.918 2 4 0 -10.573124754027 1021989 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)NC2=C(C=C(C=C2)Br)F 1 2.865 2 3 -10.7782498140335 1021988 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN(C3CCCCC3)S(=O)(=O)C 1 2.107 3 4 0 -7.4503197305388 1021987 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CN(C3CCCCC3)S(=O)(=O)C 1 3.274 3 3 -5.02875962142688 1021985 CS(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)F)C3CCCCC3 1 2.329 3 3 -6.32547649592941 1021984 CS(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC=CC=C2F)C3CCCCC3 1 2.329 3 3 -6.4641421748806 1021983 CS(=O)(=O)N(CC(=O)N1CCN(CC1)C2=CC=CC=C2)C3CCCCC3 1 2.123 3 3 -7.2986567165369 1021982 COC1=C(C=C(C=C1)NC(=O)CN(C2CCCCC2)S(=O)(=O)C)Cl 1 2.513 2 4 -11.4169907173685 1021981 COC1=C(C=C(C=C1)Cl)NC(=O)CN(C2CCCCC2)S(=O)(=O)C 1 2.513 2 4 -10.9633652479029 1021979 COC1=C(C=C(C=C1)NC(=O)CN(C2CCCCC2)S(=O)(=O)C)OC 1 1.832 2 5 0 -15.9122946089851 1021977 CCOC1=CC=C(C=C1)NC(=O)CN(C2CCCCC2)S(=O)(=O)C 1 2.197 2 4 -11.7613652208043 1021972 CS(=O)(=O)N(CC(=O)NC1=C(C=C(C=C1)Br)F)C2CCCCC2 1 2.819 2 3 -8.94000226432081 1021970 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN(CCC3=CC=CC=C3)S(=O)(=O)C 1 2.153 3 4 0 -8.00563554594776 1021969 COC1=CC=CC=C1N2CCN(CC2)C(=O)CN(CCC3=CC=CC=C3)S(=O)(=O)C 1 2.153 3 4 0 -9.95504645743421 1021968 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 2.375 3 3 -6.88079231133837 1021967 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 2.375 3 3 -7.18787098730196 1021966 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.17 3 3 -8.1470039939941 1021608 CCCN1C(=NN=C1SCC(=O)N2CCOCC2)CCC3=CC=CC=C3 1 2.725 4 2 -19.9952862174425 1021478 CCC(=NNC(=O)C1=CC=C(O1)Br)C2=CC=C(C=C2)Cl 1 3.958 2 2 -5.96489780454137 1021466 CC1(CC2=C(CO1)SC(=C2C(=O)O)NC(=O)C3=CC=C(C=C3)OC)C 1 2.553 1 5 -17.2579238302583 1021451 CC1=CC(=NN1CC(=NNC(=O)C2=CC(=CC=C2)Br)C)[N+](=O)[O-] 1 2.483 5 3 0 -13.1138812943606 1021438 CN1C(=CC(=N1)C(=O)NC2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3Cl 1 4.097 4 2 -7.61767293580881 1021427 CN1C(=CC(=N1)C(=O)NC2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)Br 1 4.265 4 2 -7.34330805652701 1021389 CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(O2)SC3=NC(=CC(=N3)C)C)/C#N 1 4.353 4 2 -16.7968319258523 1021387 CC1=CC(=NC(=N1)SC2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3)C 1 3.867 4 2 -16.7651894698919 1021370 CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.492 2 5 0 -17.1662968259472 1021305 CC1=NN=C(N1N)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 2.753 5 1 -10.1522725330302 1021281 CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)CC3=CC=C(C=C3)OC 1 2.753 5 3 0 -25.5807696879644 1021267 CN1C(=NN=C1SCC(=O)NC2CCCCC2)CC3=CC=C(C=C3)OC 1 3.344 4 2 -17.5149265100919 1021204 CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)COC3=C(C=CC(=C3)C)C(C)C 1 3.906 5 2 0 -15.7666738027335 1021210 CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2C)SCC(=O)NC3=NC=C(S3)C 1 3.703 5 2 0 -13.3007709292951 1021211 CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2C)SCC(=O)NC3=NC=CS3 1 3.557 5 2 0 -14.4938612598654 1021236 CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CC3=CC=CC=C3 1 3.407 4 1 -18.9347751700651 1021180 CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC(=CC=C2)Br 1 2.338 2 3 -10.93628728802 1021179 CC(C)C1=CC=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 2.784 2 3 -12.0141499033289 1021178 COC1=CC(=C(C=C1)OC)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 1.557 2 5 0 -14.9589200254946 1021177 COC1=CC(=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C)OC 1 1.557 2 5 0 -16.8662879041616 1021176 CCOC1=CC=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 1.922 2 4 0 -13.4767989608327 1021175 CCOC1=CC=CC=C1NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 1.922 2 4 0 -16.7909880934282 1021117 CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCCC3 1 5.795 1 2 -6.18432282863469 1021116 CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Cl)C(=S)N3CCOCC3 1 4.937 1 3 -7.28746472019527 1021114 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)F)C(=O)O 1 3.205 3 5 0 -14.214110740482 1021108 C1COCCN1C(=S)C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3F)Cl 1 4.657 1 3 -9.73014751425467 1021107 C1COCCN1C(=S)C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3F)Br 1 4.741 1 3 -9.70803427560377 1021105 COC1=C(C(=CC=C1)OC)C(=O)NNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.45 2 5 0 -8.94068705433185 1021099 C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CCC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 5.459 1 3 -1.88043309078436 1021093 C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Cl 1 4.451 1 3 -8.88240906536658 1021081 CC1=CC(=C(N1C2=CC=NC=C2)C)/C=C\3/C(=O)NC(=S)N(C3=O)CC=C 1 2.602 4 2 -9.48821207184166 1021028 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)OC 1 4.806 3 3 -2.02054583704824 1021003 CCC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NN=CC3=C(N(N=C3)C)C 1 3.988 4 2 -4.68820585312547 1020977 CC(C)C(=O)NC1=CC=CC(=C1)C(=NNC(=O)C2=C(C=NN2C)Cl)C 1 2.519 5 2 0 -14.8799831020303 1020976 CC1=NN(C(=C1Br)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3F)C 1 3.626 5 2 0 -10.7363364624718 1020960 CC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)C=NNS(=O)(=O)C3=CC=C(C=C3)OC)OC)[N+](=O)[O-] 1 4.301 3 7 0 -5.45300873767597 1020931 CC1=C(C(=NN1C)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3=C(OC=C3)C)Br 1 2.67 5 3 0 -9.26330123527245 1020850 CC1=C([C@@]23C(=C(O[C@]2(O1)C4=CC=CC=C4C3=O)N)C#N)C(=O)OCC(C)C 1 2.153 2 5 0 -13.4537566435383 1020798 COC1=CC=C(C=C1)CSCC(=O)NN=CC2=CC=C(C=C2)OCC(=O)N3CCCCC3 1 3.233 3 4 0 -16.7214168922574 1020797 COC1=CC=C(C=C1)CSCC(=O)NN=CC2=CC=CC=C2OCC3=CC=CC=C3 1 4.634 2 3 -9.5124244022378 1020764 CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NN=CC3=CC=C(C=C3)NC(=O)C 1 2.758 4 2 -5.29032233786543 1020761 CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NN=CC3=CC=C(C=C3)N4CCOCC4 1 3.488 4 2 -2.54794870181977 1020624 COC1=CC=C(C=C1)C(=O)N2C(=NC3=CC=C(C=C3)OC)C(=NC4=CC=C(C=C4)OC)N(C2=S)C5=CC=C(C=C5)OC 1 6.862 4 5 0 -0.182084386029542 1020612 COC1=CC(=NC(=N1)OC2=CC=CC=C2C(=O)OC3=C(C=C(C=C3)F)Cl)OC 1 5.479 2 5 0 -7.5962210909807 1020611 COC1=CC(=NC(=N1)OC2=CC=CC=C2C(=O)OC3=CC=C(C=C3)Cl)OC 1 5.274 2 5 0 -6.80782499589536 1020610 CC1=CC(=CC=C1)OC(=O)C2=CC=CC=C2OC3=NC(=CC(=N3)OC)OC 1 5.096 2 5 0 -7.95111523646121 1020609 CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC3=NC(=CC(=N3)OC)OC 1 5.096 2 5 0 -8.62982368648218 1020608 COC1=CC(=NC(=N1)OC2=CC=CC=C2C(=O)OC3=CC=CC=C3Cl)OC 1 5.274 2 5 0 -8.48398805766014 1020604 CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC=C(C=C2)CC)C(C)(C)C 1 4.893 2 2 -6.94537647136882 1020493 CC1(OC(=O)C(=CC2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)OC)C(=O)O1)C 1 2.49 1 7 0 -13.1264556835858 1020489 C1=CC2=C(C=C1Br)/C(=C/C3=C(C=CC(=C3)Br)OCC(=O)O)/C(=O)N2 1 3.693 1 4 -6.27452135117905 1020488 C1=CC=C(C(=C1)/C=C\2/C3=C(C=CC(=C3)Br)NC2=O)OCC(=O)O 1 2.944 1 4 -7.22089867738865 1020463 COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OCC(=O)NC5=CC=CC=C5 1 3.403 1 6 0 -22.7081430082648 1020424 COC1=C(C=C(C(=C1)C=O)Br)OCC(=O)NCCC2=CC=CC=C2 1 3.269 1 4 -13.8477968090078 1020279 CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)C=NNC(=O)C3=CC4=CC=CC=C4O3 1 4.561 3 4 0 -3.11124824472478 1020144 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C)C)Cl 1 5.225 2 3 -8.3959441591712 1020098 CC1=CC(=NC=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CC=C3C 1 4.424 3 2 -9.03502225246726 1020088 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3Cl 1 3.766 2 3 -7.20222841181194 1020085 COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3 1 3.086 2 4 -7.53775569014726 1020066 CCOC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)C3CCCC3 1 3.737 2 3 -7.20124650081518 1020061 CCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)NCCC2=CC=CC=C2)Cl 1 4.769 2 2 -12.9362530403811 1020050 COC1=CC(=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)OC)OC 1 3.969 1 5 -10.6525513133356 1020005 COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)OC(=O)C3=CC=C(C=C3)OC 1 4.678 1 5 -7.02913436073747 1019995 COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC3=C(C=CC(=C3)O)C=C2 1 3.879 0 6 -5.69712181901863 1019862 CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C)OC(=O)C3=CC(=CC=C3)C 1 5.505 1 3 -10.5299542488526 1019800 C1=CC(=CC(=C1)NC(=O)C2=CC(=CN=C2)Br)NC(=O)C3=CC(=CN=C3)Br 1 2.594 4 2 -4.5082283384378 1019736 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Br)C 1 1.536 6 4 0 -20.8611371934815 1019735 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Cl)C 1 1.452 6 4 0 -20.126481932402 1019734 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CC=C5)C(F)(F)F 1 4.475 6 2 0 -17.9953866608996 1019733 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CC=C5)C(F)(F)F 1 4.391 6 2 0 -18.9328676842202 1019724 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC4=C(C=C3Cl)OCO4 1 3.662 3 4 0 -6.25988166706671 1019711 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=C/C(=C/C3=CC=CC=C3)/Br 1 4.042 3 2 -10.9971434067846 1019708 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC(=C(C=C3)OC)[N+](=O)[O-] 1 3.107 4 5 0 -11.3032986571852 1019707 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC(=C(O3)Br)Br 1 3.941 3 3 -7.06317319575535 1019679 CCOC(=O)N1CCN(CC1)C2=NC(=S)N(C(=C2C(=O)C)C)C3=CC=CC=C3 1 3.169 4 3 0 -6.62980280847053 1019520 C1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)Br)Br 1 4.118 1 1 -3.79636104017205 1019410 C1=CC2=C(C(=C1)NC(=O)C3=C(C=C(C=C3)Br)Br)N=CC=C2 1 4.297 2 1 -1.87041289349189 1019397 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC)C 1 2.228 4 5 0 -12.0729876054674 1019374 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=C(O3)Br 1 4.646 1 3 -5.89882046503086 1019293 C1=CC(=CC(=C1)F)C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC(=CC=C3)F 1 3.738 3 2 -2.53643462295657 1019286 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)OC)OC)OC 1 3.333 2 6 0 -10.4811166068821 1019255 CC1=C(C(=CC=C1)NC(=O)C2=NC(=CC=C2)C(=O)NC3=CC=CC(=C3C)C)C 1 5.05 3 2 -6.90041356303398 1019237 COC1=CC=CC=C1C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC=CC=C3OC 1 3.294 3 4 0 -4.80090118513502 1019208 COC1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 4.502 1 4 -6.46105401345994 1019207 CC1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 5.004 1 3 -5.90281123311624 1019206 C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)COC3=CC=CC=C3 1 4.518 1 3 -6.68407670713329 1019175 CN(C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C 1 0.536 3 6 0 -24.9601937965779 1019171 CN(C1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C 1 1.99 3 3 0 -9.22694990506412 1019170 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3N(C)S(=O)(=O)C4=CC=CC=C4 1 2.401 4 4 0 -23.2657883462462 1019169 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCO4 1 3.58 2 5 0 -15.0766881544575 1019167 CN(C1=CC=CC=C1C(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)C 1 2.273 2 3 -8.27859396092662 1019166 CC(C)CNC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C 1 2.131 3 4 0 -18.5050652344479 1019165 CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3 1 3.979 2 3 -16.6811485945268 1019163 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C 1 0.852 3 4 0 -13.4735973203898 1019162 CN(C1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)S(=O)(=O)C 1 2.654 3 3 -4.49203278989912 1019155 CN(C1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)C 1 1.705 3 5 0 -19.9431536732297 1019093 CC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)NC(=O)N(C3=O)CC=C 1 2.793 3 5 0 -15.107657428078 1019055 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43 1 1.521 4 5 0 -15.419999151871 1019054 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NN(C)C2=NS(=O)(=O)C3=CC=CC=C32 1 1.474 4 5 0 -17.4872181833943 1019053 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC=C(C=C3)Cl 1 2.114 2 4 -2.44741532115098 1018847 COC1=C(C=CC(=C1)C=NNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4 1 3.088 3 5 0 -4.56292813769717 1018816 CC1(CC2=C(C(C3=C(N2C)CC(CC3=O)(C)C)C4=CC=CS4)C(=O)C1)C 1 3.541 1 2 -16.7127719817004 1018757 CC1=NN(C(=C1Br)C(=O)NN=CC2=CC(=CC=C2)OC3=CC=CC=C3)C 1 4.215 4 2 -1.87218115455587 1018756 CC(C)C(=O)NC1=CC=CC(=C1)C(=NNC(=O)C2=CC(=C(C=C2)Cl)Cl)C 1 4.242 3 2 -13.3479538619061 1018752 CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)C(=NNS(=O)(=O)C3=CC=C(C=C3)Br)C 1 3.44 3 4 0 -7.45161686991304 1018751 CC(=NNC(=O)C1=CC=CS1)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 4.566 3 3 -10.8187782871247 1018745 COC1=CC=CC=C1C=NNC(=O)C2=CC(=CC=C2)OC(C(F)F)(F)F 1 4.147 2 3 -6.43303710312664 1018686 C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=NNC(=O)C3=CC4=CC=CC=C4O3)Cl 1 4.562 3 4 0 -5.5278846210162 1018684 C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=NNC(=O)C3=CC4=CC=CC=C4O3)Br 1 4.646 3 4 0 -4.58228174701205 1018666 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3)OC 1 4.356 3 3 -12.4115274213451 1018661 COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)OC)OC 1 2.387 5 4 0 -25.0986473797315 1018612 CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=NNC(=O)C3=C(N=C4N3C=CC=C4)C 1 4.05 5 1 -4.80149687678663 1018569 CNC(=S)NN=CC1=CC(=C(C(=C1)Br)OCC2=CC=NC=C2)OC 1 3.38 4 2 -7.55455830255749 1018568 CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C=NNC(=S)NC 1 4.727 4 0 -6.20376278302857 1018434 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CN=CC=C2 1 3.612 3 4 0 -15.3938821304994 1018430 COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCOCC2)Br 1 2.867 2 3 -14.4314979566598 1018429 CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3 1 4.102 3 2 -9.20626083436157 1018417 COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2 1 5.258 2 2 -8.64243248816573 1018416 CSC1=NC2=C(S1)C=C(C=C2)NC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5 1 2.048 7 2 0 -2.79727288344774 1018302 CCC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C3=CC=CC=C3 1 3.451 4 2 -8.48480219835005 1018298 CN(C)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3OC 1 3.031 3 3 -14.6444969446364 1018257 CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.837 2 4 0 -6.17330619448816 1018227 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4 1 4.32 5 2 0 -15.8106820532344 1018100 CC1=CC(=NC2=NC(=NN12)SCC3=NN=C(S3)SCC4=CC=CC=C4)C 1 4.244 6 0 -15.4769741203228 1018103 CC1=CC=CC=C1CSC2=NN=C(S2)CSC3=NN4C(=CC(=NC4=N3)C)C 1 4.73 6 0 -17.5233611688106 1018104 CC1=CC(=NC2=NC(=NN12)SCC3=NN=C(S3)SCC4=CC=CC=C4Cl)C 1 4.909 6 0 -16.3101388901189 1018148 CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NC3=CC=C(C=C3)OC)N 1 2.139 3 3 -6.58573621167643 1018099 CC1=CC(=NC2=NC(=NN12)SCC(=O)NN=C(C)C3=CC=CC=C3)C 1 2.554 6 1 0 -16.7870070442179 1018098 CC1=CC(=NC2=NC(=NN12)SCC(=O)NN=CC3=CC(=CC=C3)Br)C 1 3.322 6 1 0 -12.3200793969935 1018095 CC1=CC=C(C=C1)C=NNC(=O)CSC2=NN3C(=CC(=NC3=N2)C)C 1 3.06 6 1 0 -14.8307866334432 1018094 CC1=CC(=NC2=NC(=NN12)SCC(=O)NN=CC3=CC=CC=C3F)C 1 2.779 6 1 0 -13.3674570410058 1018092 CC1=CC(=NC2=NC(=NN12)SCC(=O)NN=CC3=CC=C(C=C3)F)C 1 2.779 6 1 0 -13.9306130136441 1018086 CC1=CC(=C(C(=C1S(=O)(=O)NOCC2=CC=C(C=C2)[N+](=O)[O-])C)C)OC 1 3.507 2 6 0 -0.324889118139574 1018051 CC1=C(C(=CC=C1)C)NC2=NC(=S)N(C23CCCCC3)C4=CC=C(C=C4)C(=O)O 1 6.508 3 2 -4.78121347420705 1018024 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CC=N3)Br 1 3.881 2 2 -7.39574199896203 1018009 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3 1 1.819 3 3 0 -17.7995100119599 1018008 C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC4=C(C=C3)OCCO4 1 2.914 2 4 -7.00680676110682 1018007 C1COCCN1C2=C(C=CC=C2Cl)NC(=O)C3=CC4=C(C=C3)OCCO4 1 2.914 2 4 -9.36592535537059 1018002 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC=CC3=C2C=CC=N3 1 3.798 2 4 -12.3092973089911 1017996 CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC4=CC=CC=C4O3 1 4.342 3 2 1.93746364966654 1017994 C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(O3)Br 1 3.092 2 3 -4.0576828605971 1017993 C1COCCN1C2=C(C=CC=C2Cl)NC(=O)C3=CC=C(O3)Br 1 3.092 2 3 -6.55663935908252 1017989 C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3C=CC=N4 1 4.368 2 2 -6.74245587265763 1017983 C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl 1 2.852 3 2 -2.27556286459793 1017982 C1COCCN1C2=C(C=CC=C2Cl)NC(=O)C3=C(N=CC=C3)Cl 1 2.852 3 2 -4.87191358960812 1017981 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CN=CC=C3 1 0.633 4 3 0 -18.2503791943095 1017980 COC1=CC2=C(C=C1)N=C(S2)NCC3=C(C(=C(C=C3)OC)OC)OC 1 3.309 2 4 0.319243852484782 1017977 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C3=C(C=CC(=C3)Br)Cl 1 4.213 2 1 -3.42976280294457 1017976 COC1=C(C=C(C=C1CNC2=CC=C(C=C2)S(=O)(=O)N)Cl)Cl 1 3.239 2 3 -3.39170378299128 1017937 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2)CC3=CC=CC=C3Cl 1 2.875 4 3 0 -12.7038631067251 1017922 C1=CC(=C(C(=C1)Cl)CN2C=C(C=N2)NC(=O)COC3=CC=C(C=C3)Cl)Cl 1 4.676 3 2 -8.91982405086998 1017906 CN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)Br 1 3.413 3 3 -5.7357154498061 1017819 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NCC3=CC=C(C=C3)OC)C)[N+](=O)[O-] 1 2.634 4 5 0 -9.74952424470219 1017805 CC1=CC(=NN1CC2=CC=C(O2)C(=O)NC3=C(C=C(C=C3)Br)C)C 1 3.984 3 2 -12.6159772042693 1017782 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CN(N=C3)CC4=C(C=CC=C4Cl)Cl 1 5.706 3 1 -15.8668973849766 1017772 CC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br 1 3.555 3 2 -3.98002756981236 1017761 CC1=C(C(=CC=C1)NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C 1 5.002 4 3 0 -8.24694366990674 1017729 CN1C=CC=C1C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4 1 4.361 4 1 -11.2138996001288 1017718 CCN1C=C(C(=N1)C)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4OC 1 4.081 5 2 0 -9.54733137495539 1017709 CC1=NN(C=C1C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4OC)C 1 3.732 5 2 0 -6.51963472307884 1017707 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)N4C=NN=C4)Cl 1 2.275 5 2 0 -2.31811461512048 1017705 COC1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl)OC 1 2.392 4 3 0 -4.65609477361515 1017704 CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=C(C=CC(=C4)N5C=NN=C5)Cl 1 4.362 5 2 0 11.1419014202665 1017703 C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)N5C=NN=C5)Cl 1 3.876 5 2 0 8.01575180290165 1017702 C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)C4=C(C=CC(=C4)N5C=NN=C5)Cl 1 4.434 5 1 7.12042362309191 1017701 CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)N5C=NN=C5)Cl 1 4.92 5 1 5.39899476015756 1017700 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(C=CC(=C4)N5C=NN=C5)Cl 1 4.92 5 1 4.04326862855248 1017698 C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C=CC(=C4)N5C=NN=C5)Cl 1 3.876 5 2 0 7.88352225462109 1017696 CC1=C(C=CC=C1NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl)C4=NC5=CC=CC=C5O4 1 4.362 5 2 0 7.29552269009633 1017695 CC1=C(C=CC=C1NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl)C4=NC5=CC=CC=C5S4 1 4.92 5 1 4.8147161262339 1017691 C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)N5C=NN=C5)Cl 1 4.434 5 1 6.48874129886322 1017690 CC1=C(C=CC(=N1)NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl)Br 1 2.844 5 1 -0.405246624394608 1017688 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=CC(=C3)N4C=NN=C4)Cl 1 2.211 4 3 0 -5.77144608685741 1017683 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 1.839 5 2 0 -6.24743646092104 1017677 CCOC1=C(C=C(C=C1Cl)CNC2=CC=C(C=C2)S(=O)(=O)N)OC 1 2.907 2 4 -10.8633364058332 1017676 COC1=C(C=C(C=C1)Br)CNC2=CC=C(C=C2)S(=O)(=O)N 1 2.659 2 3 -6.69831093332097 1017673 CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)S(=O)(=O)N)Cl)OC 1 2.907 2 4 -9.74964150325219 1017667 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 3.255 3 3 -3.02892349658856 1017657 COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CC=C3F 1 2.983 2 4 -10.2579480726394 1017652 CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3 1 2.958 3 3 -10.7623356082409 1017649 CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CC4=CC=CC=C43 1 4.031 3 2 -7.66538341955603 1017647 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)C4=CC=C(C=C4)OC(C)C 1 3.695 5 2 0 -12.8731304348131 1017645 CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)OC 1 2.538 2 4 -7.2148473162628 1017573 CCOC1=C(C(=CC(=C1)CNN2C=NN=C2)Br)OCC(=O)NC3CCCCC3 1 2.473 5 3 0 -14.0185881066911 1017572 CCOC1=C(C=CC(=C1)CNN2C=NN=C2)OCC(=O)NC3CCCCC3 1 1.725 5 3 0 -15.0374425901101 1017571 CCOC1=C(C=CC(=C1)CNCC2=CC=CC=C2)OCC(=O)NC3CCCCC3 1 4.185 2 3 -12.0919693109658 1017568 CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4 1 1.051 6 4 0 -13.3139901021722 1017562 CC1=C(C=CC(=N1)NC(=O)C2=CC(=CN=C2)Br)Br 1 2.631 3 1 -3.46698291923506 1017560 CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3=C4C=CC=C5C4=C(CC5)C=C3 1 1.768 5 3 0 -14.6159052272991 1017558 C1CN(CCN1C2=NC(=CS2)C3=CC=CC=C3)C(=S)NC(=O)C4=CN=CC=C4 1 3.25 5 1 -8.85199521589103 1017557 CC1=C(C=CC(=N1)NC(=S)NC(=O)C2=CC(=CN=C2)Br)Br 1 3.311 4 1 -7.05965504384049 1017551 C1=CC=C(C(=C1)CSC2=NN=NN2C3=CC(=C(C=C3)Cl)C(=O)O)F 1 3.883 4 2 -19.2036939929582 1017550 CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3C4=CC=CC=C4)C 1 4.927 5 1 -13.5772359149176 1017548 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)C(=O)N 1 2.957 6 2 0 -19.2966561227198 1017543 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N 1 2.342 6 4 0 -11.8844313635003 1017540 COC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N 1 1.993 6 4 0 -10.5472012203153 1017534 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 4.097 3 2 -5.64900300005909 1017532 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CS4 1 5.249 4 2 -9.79258491375636 1017531 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl 1 5.202 3 2 -3.86324430895356 1017517 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 2.697 3 2 -0.971882609259583 1017512 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.063 3 1 3.53593855612837 1017508 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C)Br 1 3.815 3 2 -2.15237314501768 1017506 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br 1 4.687 3 2 5.52727103291716 1017499 CN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br 1 5.542 4 1 -3.31788318257774 1017495 CC1=C(C=CC(=N1)NC(=O)C2=C(C=CC(=C2)Cl)OC)Br 1 3.682 2 2 -1.90893204866388 1017492 CC1=C(C=CC(=N1)NC(=O)C2=CC=C(O2)Br)Br 1 2.997 2 2 -4.20433486630322 1017484 CC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=NC(=C(C=C2)Br)C 1 4.034 3 2 -5.84098169116446 1017457 CN1C2=C(N=C1SC3=NC=NN3CC(=O)NC4CCCCC4)N(C(=O)N(C2=O)C)C 1 1.985 8 3 0 -22.3436199607761 1017455 C1=CC=C(C(=C1)CSC2=NN=NN2C3=CC=C(C=C3)O)Br 1 3.89 4 1 -12.3535410813823 1017396 CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4 1 2.267 6 3 0 -6.15933375943428 1017394 CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)CN4C=NC5=C4N(C(=O)N(C5=O)C)C 1 2.195 6 4 0 -2.13785596225963 1017393 CC1=C(C=CC=C1NC(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C)C4=NC5=CC=CC=C5O4 1 2.195 6 4 0 -6.21438239142893 1017389 CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Cl 1 1.867 6 3 0 -8.39822828520597 1017373 CC(C)(C)NC(=O)CSC1=NN=CN1NCC2=C(C=CC=C2Cl)Cl 1 2.894 5 1 -19.0097734027444 1017372 CC(C)(C)NC(=O)CSC1=NN=CN1NCC2=CC=CC3=CC=CC=C32 1 2.474 5 1 -15.3580281573646 1017371 CC(C)(C)NC(=O)CSC1=NN=CN1NCC2=CC=C(C=C2)N(C)C 1 1.728 6 1 0 -20.4094328856732 1017369 CC(C)(C)NC(=O)COC1=CC=C(C=C1)CNC2=CC3=C(C=C2)NC(=O)N3 1 2.059 4 3 0 -20.0247514519079 1017365 CC1=NN=C(N1NCC2=CC(=CC=C2)Br)SCC(=O)NC(C)(C)C 1 2.575 5 1 -17.9416505912712 1017364 CC1=NN=C(N1NCC2=C(C=CC=C2Cl)F)SCC(=O)NC(C)(C)C 1 2.696 5 1 -20.4523062418192 1017363 CC1=NN=C(N1NCC2=CC=C(C=C2)N(C)C)SCC(=O)NC(C)(C)C 1 1.989 6 1 0 -20.8539276580837 1017362 CC1=NN=C(N1NCC2=CC=C(C=C2)Cl)SCC(=O)NC(C)(C)C 1 2.491 5 1 -16.3706425888842 1017361 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNN2C=NNC2=S)OC 1 1.408 5 3 0 -20.2471012506209 1017359 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNC2=CC=C(C=C2)N3CCCCC3)OC 1 4.259 3 3 -15.7189250512673 1017356 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNC2=CC=C(C=C2)N3CCOCC3)OC 1 3.03 3 4 0 -17.30801117398 1017351 CC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Cl)OCC(=O)NC(C)(C)C)OC 1 2.152 5 3 0 -20.6144552885665 1017344 CC(C)(C)NC(=O)COC1=C(C=C(C=C1Br)CNC2=CC=CC(=C2)C(=O)O)OC 1 3.558 2 5 0 -15.5055818450764 1017343 CC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Br)OCC(=O)NC(C)(C)C)OC 1 2.236 5 3 0 -20.4304166203523 1017340 CC(C)(C)NC(=O)COC1=C(C=C(C=C1Br)CNN2C(=NN=N2)N)OC 1 0.733 7 3 0 -18.3280581701701 1017339 CC(C)(C)NC(=O)COC1=C(C=C(C=C1Br)CNC2=CC3=C(C=C2)NC(=O)N3)OC 1 2.791 4 4 0 -22.6640182284293 1017337 CCOC1=C(C(=CC(=C1)CNN2C=NN=C2)Cl)OCC(=O)NC(C)(C)C 1 1.462 5 3 0 -16.9037456158736 1017334 CCOC1=C(C=CC(=C1)CNN2C(=NN=N2)N)OCC(=O)NC(C)(C)C 1 0.334 7 3 0 -20.8569810450725 1017333 CCOC1=C(C=CC(=C1)CNC2=CC3=C(C=C2)NC(=O)N3)OCC(=O)NC(C)(C)C 1 2.392 4 4 0 -25.2683750203498 1017325 CCOC1=C(C(=CC(=C1)CNN2C=NN=C2)Br)OCC(=O)NC(C)(C)C 1 1.546 5 3 0 -16.7197069476594 1017323 CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)N(C)C)Br)OCC(=O)NC(C)(C)C 1 4.439 3 3 -18.4703626642686 1017322 CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)OC)Br)OCC(=O)NC(C)(C)C 1 4.261 2 4 -16.1509995461651 1017320 CCOC1=C(C(=CC(=C1)CNC2=CC=CC=C2)Br)OCC(=O)NC(C)(C)C 1 4.277 2 3 -15.9657304240293 1017319 CCOC1=C(C(=CC(=C1)CNN2C(=NN=N2)N)Cl)OCC(=O)NC(C)(C)C 1 0.998 7 3 0 -20.0221652298677 1017311 C1CN(CCN1C2=CC=C(C=C2)NCC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=C5 1 4.033 3 3 -5.12054671643603 1017310 CC(C)(CO)NCC1=CC(=C(C(=C1)Br)OCC2=C(C=C(C=C2)Cl)Cl)OC 1 5.038 1 3 -2.46361181775873 1017305 COC1=CC=CC(=C1OCC2=CC=CC=C2)CNC3=CC=C(C=C3)C(=O)O 1 4.402 1 4 -6.21744185688771 1017296 C1OC2=C(O1)C=C(C=C2)CNN3C=NN=C3SCC4=CC=C(C=C4)F 1 3.131 4 2 -8.43455155475915 1017285 CCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4 1 5.257 3 1 2.90712895649271 1017283 C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NCC4=CC=C(C=C4)F 1 5.13 3 0 4.79819534281012 1017282 C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NCC4=CC=C(C=C4)Cl 1 5.589 3 0 5.90831700793169 1017224 COC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)N 1 2.877 3 2 -11.230971950323 1017208 CCOC(=O)CSC1=NN=NN1C2=CC(=C(C=C2OC)Cl)OC 1 2.487 4 4 0 -24.1513507272799 1017173 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NCC3=CC(=C(C=C3)OCC4=CC=C(C=C4)F)OC 1 4.357 3 3 -7.19988453087227 1017169 COC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)O)Br)OCC3=CC=CC=C3F 1 5.484 1 3 -1.35374200259019 1017159 CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)OC(=N2)C)Br)OCC(=O)OC 1 2.42 1 6 0 -15.5748102911837 1017156 CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)OC(=N2)C)Cl)OCC(=O)OC 1 2.336 1 6 0 -17.2432538829048 1017149 CCOC(=O)COC1=C(C=C(C=C1Cl)/C=C\2/C(=O)OC(=N2)C)OC 1 2.336 1 6 0 -17.1101884207196 1017144 CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)OC(=N2)C)Br)OCCC3=CC=CC=C3 1 4.617 1 4 -7.78391452711249 1017092 COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=CC=C2N3CCCC3 1 3.969 2 2 -4.05389724703362 1017089 CC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Cl)OCC3=CC=C(C=C3)F)OC 1 3.949 4 2 -8.02118149626945 1017088 CC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Cl)OCC3=CC=CC=C3)OC 1 3.744 4 2 -9.5478734265143 1017084 CC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)F)OC 1 4.033 4 2 -7.83714282805522 1017082 CN1N=C(N=N1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3F 1 3.847 5 1 -2.55790008608298 1017081 CN1N=C(N=N1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CS3 1 3.381 5 1 -4.08730429629965 1017076 CCCC(=O)N(CC1=CC2=C(C=CC(=C2)C)NC1=O)C3=CC=CC=C3OC 1 3.715 2 3 -15.3927295465139 1017065 COC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4 1 1.384 5 5 0 -4.83189702272046 1017060 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O 1 5.057 2 6 0 -17.8926941998114 1017059 CCOC1=C(C=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C(F)(F)F)OCC(=O)NC4=CC=CC=C4OC 1 4.688 3 7 0 -21.2872450784531 1017047 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O 1 4.914 2 3 -6.64895387404851 1017033 COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O 1 4.044 2 4 -12.3520889271675 1017025 COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Cl)OCC3=CC=C(C=C3)F 1 3.871 4 2 -5.99267391506376 1017024 COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Cl)OCC3=CC=CC=C3 1 3.665 4 2 -7.51936584530861 1017018 CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=CC=C2N3CCOCC3 1 3.45 2 3 -3.06571878565228 1017016 CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3Cl)F)F 1 4.628 3 2 2.76109820736538 1017011 COC1=C(C=C(C=C1)Cl)C(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3 1 4.264 3 3 -8.18182331732766 1017010 CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3)C 1 4.588 3 2 -9.74929833443597 1017006 C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)Br)C4=CN=CS4 1 4.555 3 0 -3.98906802285712 1017003 CC(C)C(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3Cl)F)F 1 4.605 2 2 1.21741454464317 1016985 CC(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC=C2C(=O)OC 1 4.651 2 4 -12.8840147073153 1016983 COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2 1 4.53 2 3 -11.8640282003156 1016888 CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=C(C=CC(=C2)Cl)OC)C 1 3.249 4 2 -8.54731834263709 1016887 CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br)C 1 3.333 4 2 -11.0557535638319 1016791 CC(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2 1 6.304 2 2 -5.81427191915653 1016780 C1=CC(=CC(=C1)OC(=O)C2=CC=CS2)/C=C/3\C(=O)NN(C3=O)C4=CC(=C(C=C4)Cl)Cl 1 4.966 2 4 -10.3577052961373 1016754 C1=CC2=C(N=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl 1 4.168 3 2 2.81673680301026 1016752 C1=CC=C2C(=C1)C=CC=C2C3=CSC(=N3)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4 1 5.741 3 2 2.3394124230516 1016674 CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.749 3 6 0 -18.4274886067259 1016593 CC1=CC(=C(C=C1)C)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 4.336 3 1 -8.87977994494583 1016592 CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br)C 1 4.336 3 1 -9.86347935822982 1016589 COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 3.347 3 2 -8.16183891517634 1016586 COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 3.347 3 2 -8.37870640564237 1016584 C1=CC(=CC(=C1)Cl)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 4.028 3 1 -5.35670884401442 1016583 C1=CC(=CC=C1NC(=S)NC(=O)C2=CC(=CN=C2)Br)Cl 1 4.028 3 1 -6.14374150591141 1016582 CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 3.103 3 2 -10.4097208451002 1016581 C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br)C(=O)O 1 2.993 3 3 -9.74447934338058 1016580 CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 3.696 3 2 -9.14492955735039 1016578 CC1=C(C=CC=C1Cl)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 4.514 3 1 -5.70536134189554 1016577 CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br)Cl 1 4.514 3 1 -7.67372224681115 1016575 CC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 3.85 3 1 -9.52599313302141 1016572 C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br)O 1 3.122 3 2 -3.82617200175872 1016571 C1=CC(=CC(=C1)O)NC(=S)NC(=O)C2=CC(=CN=C2)Br 1 3.122 3 2 -5.57381526623823 1016569 C1=CC(=CC=C1NC(=S)NC(=O)C2=CC(=CN=C2)Br)O 1 3.122 3 2 -6.08586608535908 1016562 COC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O 1 2.222 2 4 -3.5172448150479 1016551 C1=CC=C(C(=C1)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O)F 1 2.443 2 3 -4.45652397944222 1016499 C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)COC3=CC=CC=C3Cl)Cl 1 5.714 3 3 -12.4890898788447 1016479 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC(=O)C3=CC=CC=C3 1 4.152 1 4 -12.8523062027336 1016466 CC1=C(C=CC(=C1)Cl)OCC(=O)NC(=S)NC2=NC=C(C=C2)Cl 1 4.332 3 2 -2.7697838447061 1016460 CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC(=CN=C2)Br 1 2.254 4 3 0 -12.0253223892916 1016459 C1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=CN=C3)Br 1 3.835 4 1 -3.26948343391675 1016458 C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br 1 3.213 4 2 -9.05411734781326 1016455 C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br)Cl 1 3.878 4 2 -7.46932272979908 1016443 CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2 1 5.596 2 2 -6.11826858278915 1016400 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5 1 2.949 2 6 0 -10.8588702364814 1016310 C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-] 1 1.91 4 5 0 -22.6096077004519 1016301 CC1=CC=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 1 3.547 3 5 0 -19.9893240735178 1016284 C1CN(CCN1C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3Cl)C(=O)C4=CC=CC=C4 1 4.157 3 3 -6.88628949399369 1016249 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)C 1 4.16 2 3 -7.3640970454124 1016232 CCOC(=O)COC1=C(C=C(C=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)F)OC 1 2.48 2 6 0 -14.2430711063832 1016196 C1=COC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.899 3 3 -11.2710907281516 1016219 COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)[N+](=O)[O-] 1 3.287 3 5 0 -1.91436420771461 1016208 CC1=CC=C(C=C1)N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.469 3 5 0 -25.8258082140739 1016200 COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 4.244 2 3 -6.56078198043395 1016171 COC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)Br)NC(=O)C3=CC4=CC=CC=C4O3 1 4.726 2 4 -7.18113474083438 1016156 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C 1 2.727 3 4 0 -19.2442616141484 1016141 C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC3=NC=C(C=C3)Cl 1 4.324 2 1 -1.01784152738283 1016097 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.523 3 2 -11.5737562296771 1016096 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)C 1 2.234 4 4 0 -11.6457965007923 1016060 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C4=C3C(=O)CCC4)S(=O)(=O)C5=CC=C(C=C5)OCC 1 5.024 2 7 0 -7.75120963740235 1016031 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NNC(=O)C2=CC(=CC=C2)Br 1 2.217 3 5 0 -12.828575616636 1016013 C1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)CCO)N4CCCCC4 1 1.387 7 1 0 3.66641945152297 1015970 COC1=C(C=CC(=C1)NC(=O)C2=CC3=CC=CC=C3O2)NC(=O)C4=CC=CO4 1 3.373 2 5 0 -6.59377479165741 1015805 CC1=CC(N(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)(C)C 1 2.877 2 4 -11.998471046468 1015803 CC1=CC(N(C2=CC=CC=C12)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)(C)C 1 2.894 2 3 -11.023121182194 1015792 CC1=C(C(=NN1CC(=O)NCC2=CC=CS2)[N+](=O)[O-])Br 1 2.19 4 3 0 -18.6162696489918 1015747 COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.526 2 4 -4.85315214634909 1015640 CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 3.054 3 3 -23.8891129423026 1015638 CCCS(=O)(=O)C1=C2C=C(C=CN2C(=C1S(=O)(=O)CCC)C(=O)OC)C3=CC=NC=C3 1 2.974 2 6 0 -11.6181420943164 1015631 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3OC 1 1.507 3 5 0 -22.0150660058224 1015629 CC1=C(N2C=C(C=CC2=N1)Br)C(=O)NN=CC3=CC=C(C=C3)C(C)C 1 4.077 4 1 -1.27137963949859 1015626 CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2 1 2.802 3 3 -11.8944765139688 1015624 CN1CCN(CC1)C(=S)NC(=O)C2=CC(=C(C=C2)OC)Br 1 3.136 3 2 -10.1061651320154 1015620 CC1=C(C=CC(=C1)Br)OCC2=NN=C(O2)C3=CC=C(C=C3)OC 1 4.107 2 3 -1.19699168108222 1015613 CC1=C(C(=CC=C1)NC(=S)NC(=O)C2=CC=C(O2)Br)C 1 4.701 2 2 -7.12768147714554 1015611 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)NC2CCCCC2 1 2.647 3 3 -16.2849664094856 1015601 CN1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C(F)(F)F 1 3.22 5 1 -8.99202882213442 1015573 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2CC2 1 2.702 3 3 -18.0992426482805 1015567 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)OC 1 3.627 3 4 0 -17.2076856305369 1015559 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C 1 2.227 2 5 0 -19.5612573300776 1015551 CC(=O)NC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3 1 3.088 2 3 -4.39269928473448 1015540 CC1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)SC4=NC=NN4 1 3.134 4 3 0 -4.43835223044309 1015520 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C 1 3.704 2 5 0 -8.05584189906271 1015492 CC1=CC(=C(C=C1)C)OCC(=O)NC2=NON=C2NC(=O)COC3=C(C=CC(=C3)C)C 1 3.897 4 5 0 -6.1611084088731 1015487 COC1=CC=CC=C1OCC(=O)NC2=NON=C2NC(=O)COC3=CC=CC=C3OC 1 1.919 4 7 0 -10.7074340226369 1015484 CC1=CC(=CC=C1)OCC(=O)NC2=NON=C2NC(=O)COC3=CC=CC(=C3)C 1 2.925 4 5 0 -5.73198594018104 1015435 COC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2C(=O)C3=CC=C(C=C3)F 1 3.479 2 3 -5.1826302316509 1015429 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3 1 4.762 3 3 -17.2908329802402 1015423 C1COCCN1C(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=C(O3)Br 1 2.6 2 4 -20.1687857255217 1015406 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.052 2 4 -11.613449044011 1015225 CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3 1 5.313 3 4 0 -15.4076229759933 1015234 COC1=CC=C(C=C1)OCC(=O)NC(=S)N2CCCC3=CC=CC=C32 1 4.469 2 3 -11.4367396291044 1015243 C1=CC=NC(=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl 1 4.402 3 2 -4.20590772481706 1015244 C1CN(C2=CC=CC=C21)C(=S)NC(=O)COC3=C(C=C(C=C3)Br)Cl 1 5.442 2 2 -10.6548182852506 1015268 CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)F)Br 1 5.497 2 2 -5.93681996584888 1015267 CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2)C)C)Br 1 6.264 2 2 -8.54643615304572 1015264 CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)C)Br 1 5.032 2 3 -10.3633795221108 1015259 CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)CO)Br 1 4.687 2 3 -7.48426011049307 1015221 CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3 1 4.857 3 4 0 -15.0913275806704 1015220 CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3 1 4.857 3 4 0 -14.0763420510754 1015217 CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2 1 3.538 3 3 -14.9218341742171 1015211 CN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.981 2 4 -11.8796817383929 1015208 CN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 5.549 2 1 -5.1170418658997 1015202 CC1=CC(=NC(=N1)SCCS(=O)(=O)CC2=CC=C(C=C2)Cl)C 1 3.525 2 2 -8.32235286480925 1015199 CC1=CC(=NC(=C1C#N)SCCS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C 1 4.983 2 2 -12.2714907800168 1015184 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC 1 2.059 3 6 0 -17.3002488780909 1015182 COC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.011 2 5 0 -18.9083685350328 1015180 COC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 2.924 2 5 0 -19.2628370492009 1015113 CCC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Br 1 3.718 2 4 -17.8632237674718 1015067 CCC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C)Br 1 3.767 3 5 0 -16.3949420147515 1015022 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O 1 3.013 2 5 0 -13.9435935734199 1015008 C1=CC(=CC(=C1)O)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4 1 2.417 5 3 0 -9.84229583390913 1014994 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CC3 1 2.437 3 3 -22.3080875979592 1014990 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCCCC3 1 4.928 3 3 -9.80189831515666 1014972 CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br)C 1 5.189 3 4 0 -12.3141597134591 1014967 C1CCC(=CC1)CCNC(=S)NC(=O)C2=CC=C(O2)Br 1 4.202 2 2 -13.9626142567189 1014962 COC1=CC(=C(C=C1)OC)NC(=S)NC(=O)C2=CC=C(O2)Br 1 3.696 2 4 -10.7952511745657 1014955 CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)Br)C 1 4.701 2 2 -10.8962818460307 1014954 CC1CCN(CC1)C(=S)NC(=O)C2=CC(=C(C=C2)OC)Br 1 4.348 2 2 -15.5523111107886 1014950 C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)COC3=C(C=C(C=C3)Br)Br 1 5.982 2 2 -9.09046880262859 1014919 CC(=NNC(=O)C1=NN(C=C1)C)C2=CC(=CC=C2)NC(=O)C3=CC=NC=C3 1 1.376 6 2 0 -13.2094836387156 1014897 CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NN=CC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-] 1 4.071 3 7 0 -8.04602728751146 1014878 CC1=C(SC=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)CN3C(=CC(=N3)C)C 1 3.768 4 2 -17.2316760603523 1014875 CCC(=O)NC1=CC=C(C=C1)C(=NNS(=O)(=O)C2=CC=C(C=C2)C)C 1 2.64 3 3 -9.56723151560298 1014870 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=NNC(=O)C2=CC=CC=C2Cl)C 1 4.49 3 2 -12.8328468189047 1014868 CC(=NNC(=O)C1=CC=C(S1)Cl)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl 1 4.36 3 3 -5.66416347014252 1014864 CC1=CC=C(S1)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)COC3=C(C=C(C=C3)Cl)C 1 4.533 3 3 -6.19299723929856 1014789 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CCC3=NC4=CC=CC=C4N3 1 2.83 6 1 0 -13.2146851443244 1014830 C1=CN(N=C1)CC2=CC=C(O2)C(=O)NN=CC3=CC=C(C=C3)Br 1 3.138 4 2 -7.69295546260479 1014820 CC1=C(C=C(C=C1)C(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)N)[N+](=O)[O-] 1 3.447 3 4 0 -10.0010421490973 1014810 CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=O)C3=CC=C(O3)Br 1 4.232 3 5 0 -4.11189033594192 1014805 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(O2)Br)CN3C=C(C=N3)[N+](=O)[O-] 1 2.758 5 5 0 -16.1695069114907 1014801 CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=CN2C3=CN=CC=C3)C 1 3.004 5 1 -15.0219250516667 1014782 CC1=NN=C(N1C)SCC(=O)NNC(=O)C2=CC=C(C=C2)Br 1 1.385 5 2 0 -15.7824852610472 1014745 C1=CC(=CC=C1CC(=O)NNC(=O)NC2=CC=C(C=C2)Cl)Br 1 3.227 3 2 -4.39986254015183 1014742 C1=CC(=CC=C1C(=O)NN=CC2=CC=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-])Cl 1 4.282 3 5 0 -6.81608049434281 1014732 CC(=NNC(=O)C1=CC=NC=C1)C2=CC(=CC=C2)NC(=O)C3=CC=C(S3)Cl 1 2.71 4 2 -5.09696009667127 1014726 CC1=NN(C(=C1Cl)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)F)C 1 3.542 5 2 0 -7.82000812617657 1014720 C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)COC3=CC(=CC=C3)Cl 1 4.853 1 2 -7.26010244269633 1014701 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CO2)COC3=CC=C(C=C3)F 1 3.834 2 4 -7.03627818153144 1014686 CC1=NN(C(=C1Cl)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3)C 1 3.172 5 3 0 -10.4505879425747 1014658 CC1=C(C(=NN1C)C(=O)NN=C(C)C2=CC=C(C=C2)NC(=O)C3CCCC3)Br 1 3.426 5 2 0 -6.92895581042901 1014643 CC1=NN(C(=C1Cl)C(=O)NN=CC2=CC=C(C=C2)C3=CC=CC=C3)C 1 4.09 4 1 -0.870915112063058 1014639 C1=CC2=NC(=C(N2C=C1)N=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CO5 1 5.147 4 4 0 3.78002946070709 1014638 CC(C)C(=O)NC1=CC=CC(=C1)C(=NNC(=O)C2=CC=C(C=C2)Cl)C 1 3.578 3 2 -12.6613816756926 1014636 CC1=CC=C(C=C1)NC(=O)NNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.717 3 3 -6.64627785065392 1014571 CC1=C(C=CO1)C(=O)NN=C(C)C2=CC=C(C=C2)NC(=O)C3CCCC3 1 2.703 3 3 -5.19274730435639 1014538 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 2.251 5 6 0 -10.9908096650573 1014517 CC1=C(C(=NN1C)C(=O)NN=C(C)C2=CC=C(C=C2)NC(=O)C3=C(OC=C3)C)Br 1 2.67 5 3 0 -10.2785758265153 1014487 C1=CC=C(C=C1)COC2=C(C=C(C=C2C=NO)Br)Br 1 4.72 1 2 9.71250836830166 1014486 CC1=NN(C(=C1Br)C(=O)NC2=C(C=C(C=C2)Br)F)C 1 3.54 3 1 -2.09629443297688 1014473 CCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OCC 1 4.045 3 4 0 -14.75225204116 1014472 CCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32 1 3.993 3 3 -26.9189031197277 1014465 C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NC(=S)NC3=CC=CC(=C3)CO 1 4.653 2 3 -4.36386248651759 1014414 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Cl 1 4.716 3 3 -23.5341404389611 1014413 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Cl 1 4.464 3 3 -20.812652185596 1014412 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Cl 1 5.99 2 2 -4.73547257413707 1014410 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3 1 3.061 3 4 0 -26.3438728451072 1014406 CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC2=CC=CC=C2)C 1 3.677 3 2 -14.4796943940169 1014398 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3 1 3.297 3 3 -22.8006187331617 1014396 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3 1 3.753 3 3 -23.1550872473298 1014390 C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 5.814 2 2 -9.47015076281408 1014365 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)CO 1 4.68 2 2 -5.79078504329238 1014358 CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 4.286 3 3 -22.4568000019248 1014353 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3 1 3.8 3 3 -23.4302984436922 1014343 C1CCC(=CC1)CCNC(=S)NC(=O)C2=CC=CC=C2Br 1 4.987 2 1 -12.1137858889011 1014342 C1CN(C2=CC=CC=C21)C(=S)NC(=O)C3=CC=CC=C3Br 1 4.942 2 1 -12.6070532161793 1014337 C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C(F)(F)F 1 5.27 4 2 -12.1069341607152 1014327 CC(=O)N(C1=CC(=C(C=C1)OC(=O)C)Br)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 3.732 1 5 -7.89900712295486 1014313 CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2)Br 1 4.729 2 1 -8.69672616912277 1014268 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O 1 2.944 2 5 0 -10.952357836397 1014222 CC1=NOC(=C1Cl)COC2=CC=CC=C2OCC3=C(C(=NO3)C)Cl 1 3.922 2 4 -2.95259552007594 1014216 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)F 1 1.737 3 3 0 -10.2848408932477 1014141 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)OC 1 5.763 3 3 -21.7895158792928 1014119 CCC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 2.197 2 5 0 -20.902215126086 1014103 CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN4CCN(CC4)C 1 4.036 4 1 -3.20491029905468 1014099 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3Cl 1 2.74 3 5 0 -17.3221430919353 1014094 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3Cl 1 1.919 2 5 0 -21.2429139844951 1014082 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3Cl)OC 1 3.389 4 6 0 -19.284010013845 1014076 C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O 1 3.927 2 3 -11.4481675695559 1013915 C1CN(C2=CC=CC=C21)C(=O)C3=NC(=CC=C3)C(=O)N4CCC5=CC=CC=C54 1 3.666 3 2 -11.6118560482111 1013907 CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3 1 2.819 3 4 0 -9.88127545436442 1013895 CC1=CC(=C(C=C1)C)OCC(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3 1 2.557 3 4 0 -10.6641168668188 1013859 CC1=C(C=CC(=C1)Br)OCC(=O)NC2=CC=C(C=C2)N(C)C(=O)C 1 3.01 2 3 -6.55680619923868 1013849 CC1=C(C=CC(=C1)Br)OCC(=O)NC2=CC=C(C=C2)NC(=O)C 1 2.805 2 3 -6.1100339538311 1013803 CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)COC2=C(C=CC(=C2)C)C 1 2.466 3 4 0 -10.2869525791011 1013700 C1COCCN1C(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br 1 3.172 1 3 -3.87192394093545 1013698 CCN1C(=C(C=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C 1 1.336 4 3 0 -19.9310316414533 1013660 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)COC2=CC=C(C=C2)C(C)(C)C 1 1.93 3 5 0 -10.5059985709446 1013578 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C 1 2.21 3 5 0 -12.2690423367041 1013543 C1CN(CCN(C1)C(=O)CCC2=CC=CC=C2)C(=O)CCC3=CC=CC=C3 1 3.169 2 2 -6.8961982440057 1013515 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(C=C4)OCCO5 1 5.019 2 3 -5.38210435831706 1013476 CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)COC2=CC(=C(C=C2)Br)C 1 3.185 3 4 0 -16.1618462600763 1013457 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC(=CC=C3)O 1 3.688 3 3 -1.99787632863896 1013451 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3)O 1 3.671 3 4 0 -1.73206279628896 1013440 CCOC(=O)CSC1=NC(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3 1 2.545 3 4 0 -23.5360027409932 1013437 CC1(CC2=C(CO1)SC3=C2C(=O)N4C(=N3)N(C=N4)C5=CC=CC=C5)C 1 2.9 4 2 -19.3486596422111 1013432 C1=CC=C(C=C1)C2=NN=C(S2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.381 3 2 -2.94782633887747 1013414 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)Br 1 5.399 2 1 -1.9769001456594 1013383 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br 1 2.654 2 4 -19.1272733409928 1013381 CC(=O)OC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)OC 1 2.312 3 5 0 -11.7431668629322 1013377 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3 1 1.939 3 4 0 -11.3089184392261 1013359 CC1=CC(=CC(=C1OCC(=O)NNC(=O)C2=C(OC=C2)C)Br)Br 1 2.939 2 4 -5.0905077239244 1013277 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCC2=CCCCC2 1 4.362 1 4 -16.2696695282262 1013273 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 3.111 2 3 -13.492193031353 1013220 CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 5.47 3 1 -10.4878236247665 1013174 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O 1 3.064 2 6 0 -8.9669027953069 1013091 CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3)C 1 5.826 3 2 -7.21423294535053 1013084 CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C 1 3.704 2 5 0 -9.08678683667558 1013024 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2OC 1 1.128 2 6 0 -15.4920319999455 1013017 COC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.238 2 6 0 -24.546382283624 1013015 COC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.011 2 5 0 -22.2337310480062 1013010 COC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 2.924 2 5 0 -22.5881995621742 1012995 COC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3OC 1 3.037 2 6 0 -9.0756021855135 1012993 CC1=C(SC(=C1C(=O)N)NC(=O)CC2=CC=CC=C2)CC3=CC=CC=C3 1 3.769 2 2 -7.79904257964122 1012900 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C 1 3.704 2 5 0 -9.78693474363626 1012890 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C 1 5.593 2 3 -4.75767002031048 1012878 CC1=CC(=CC(=C1OCC(=O)NNC(=O)NC2=CC=CC=C2)Br)Br 1 3.598 3 3 -3.8977114232326 1012745 CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C 1 4.514 2 3 -7.39297626458734 1012728 CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O)C 1 2.741 2 5 0 -12.0441660767274 1012693 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br 1 2.489 2 5 0 -20.3004997723615 1012670 C1=CC=C2C(=C1)C(=O)N(C2=O)NC(=O)COC3=C(C=C(C=C3)Br)Br 1 3.028 2 4 -4.16556869207054 1012629 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=C(C=CC(=C4)OC)OC 1 4.324 3 4 0 -5.42523169549782 1012590 CN1C=C(C(=N1)C(=O)NNC(=O)C2=CC(=CC=C2)Br)Br 1 2.446 4 2 -4.61338043690247 1012589 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NN=C(C)C3=CC(=CC=C3)NC(=O)C 1 2.995 4 3 0 -13.0998458844768 1012571 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)NN=CC4=CC=CO4 1 4.96 3 2 -3.29871450973704 1012567 CCN1C=C(C(=N1)C(=O)NC2=NC3=CC=CC=C3N2CCN4CCCCC4)Cl 1 4.025 6 1 0 -6.99739051242037 1012541 COC1=C(C=C(C=C1)C(=O)NCCN2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC)OC 1 1.992 3 6 0 -14.374580139267 1012529 CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=CC=C(O2)Br)C 1 3.656 1 4 -10.3893820789753 1012510 CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC3=CC(=C(C=C3)OC)OC 1 4.263 1 5 -11.3945772637195 1012500 CC1=CC(=NC2=C(C=NN12)C(=O)NN=CC3=CC(=C(C=C3OC)OC)OC)C4=CC=CC=C4 1 3.136 5 4 0 -13.4785333804783 1012499 CC1=CC(=CC=C1)NC(=O)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl 1 5.063 4 2 -4.30994225198809 1012487 CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(SC=C4)C(=O)OC 1 5.529 2 3 -7.88105943517116 1012465 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C 1 4.988 2 2 -1.52899464852616 1012463 COC1=CC=CC=C1NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Br 1 4.387 1 4 -7.53198832205779 1012448 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NN=CC4=CC=CC=N4 1 4.758 4 1 -1.55609482414996 1012437 CC1=CC=C(S1)C(=O)NC2=CC=CC(=C2)C(=NNC(=O)C3=NN(C=C3)C)C 1 2.625 5 2 0 -11.7772244466272 1012419 CC(C)C(=O)NC1=CC=CC(=C1)C(=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-])C 1 2.514 6 5 0 -20.511820042519 1012417 C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)COC3=C(C=CC(=C3)Cl)Cl 1 4.699 1 3 -8.5617523895404 1012381 C1CCCC(=NNS(=O)(=O)C2=CC=C(C=C2)Br)CCC1 1 3.772 2 2 -5.26204427493637 1012378 C1=CC=C2C(=C1)C=CC=C2NC(=O)NNC(=O)CC3=CC=C(C=C3)Cl 1 3.387 3 2 -6.86878806567254 1012373 COC1=CC=CC(=C1)C=NNC(=O)C2=CC=C(O2)COC3=C(C=C(C=C3)Cl)Cl 1 5.036 2 4 -4.72755888457842 1012360 CC1=C(C(=NN1C)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F)Br 1 3.626 5 2 0 -9.12903302267129 1012352 CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C=NNC(=O)C3=NN(C=C3Cl)C 1 4.341 5 1 -4.47155620795745 1012346 CCOC1=C(C=CC(=C1)C=NNC(=O)C2=NN(C=C2Br)C)OCC3=CC=CC=C3 1 4.409 4 3 0 -11.4657169096043 1012343 C1CC2=CC=CC=C2C(=NNS(=O)(=O)C3=CC=C(C=C3)Br)C1 1 3.896 2 2 -4.96148201106293 1012339 C=CCN1C(=NN=C1SCC(=O)NN=CC2=CC(=CC=C2)O)COC3=CC=C(C=C3)Cl 1 3.988 5 3 0 -14.3457082346041 1012334 CC1=CC(=NC2=C(C=NN12)C(=O)NN=CC3=CC=C(C=C3)SC)C4=CC=CC=C4 1 3.727 5 1 -7.39165152400064 1012331 CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C=NNC(=O)C3=C(C=NN3C)Br 1 4.288 5 1 -4.99693824930969 1012319 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(O3)COC4=CC=CC=C4Cl 1 4.578 2 3 -3.42807681599493 1012308 CN1C(=C(C=N1)Cl)C(=O)NN=CC2=C(N=C3C=C(C=CC3=C2)OC)Cl 1 3.332 5 2 0 -1.84711070473738 1012307 CC1=C(C=CC(=C1)OC)NC(=O)C2=CC(=NN2CC3=CC=CC=C3)[N+](=O)[O-] 1 4.042 4 4 0 -12.3203857950528 1012268 C1=CC=C(C=C1)C(=NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C4=CN=CC=C4 1 4.106 3 2 -12.7159215162378 1012266 COC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-] 1 1.579 4 5 0 -21.752416389281 1012257 C1CN(CCN1C2=CC=CC=C2F)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] 1 3.441 3 3 -2.04305382490595 1012240 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC)C 1 4.844 4 5 0 -11.5346310085594 1012227 C1CCCN(CC1)C(=O)C2=CC=C(C=C2)COC3=CC=CC=C3Br 1 4.932 1 2 -4.71899625767835 1012208 CCOC(=O)C1=C(SC2=C1CCC2)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.983 1 4 -13.5113429006352 1012197 C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br 1 4.409 2 1 -6.33634398323547 1012187 CCC(=O)NC1=CC=C(C=C1)C(=NNC(=O)C2=C(C(=NN2C)C)Br)C 1 2.423 5 2 0 -10.6193123549791 1012180 C1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl 1 5.241 4 2 -5.32509444360203 1012171 CC(=NNC(=O)CC1=CC=C(C=C1)Cl)C2=CC(=CC=C2)NC(=O)C3=CN=CC=C3 1 2.997 4 2 -8.60881903353565 1012170 CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)C(=NNS(=O)(=O)C3=CC=C(C=C3)F)C 1 2.897 3 4 0 -7.10507878993317 1012166 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)Br 1 3.666 3 4 0 -9.31631253787305 1012165 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC=CC=C3OC(C)C 1 3.939 3 3 -8.7532796004935 1012164 CC(=NNC(=O)C1=NN(C=C1)C)C2=CC=C(C=C2)NC(=O)C3CCCC3 1 2.532 5 2 0 -9.48281156435837 1012146 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CN=CC=C4 1 3.58 3 2 -3.11204820208502 1012135 CC(C)OC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC(=C(C=C4)OC)CN5CCOCC5 1 5.271 4 4 0 -13.4640596370571 1012113 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NN=CC3=CC(=C(C=C3)OCC(=O)N)OC 1 3.379 4 5 0 -20.2808610256753 1012109 CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=C(C=C2)C(=NNC(=O)C3=C(C(=NN3C)C)Cl)C 1 4.322 5 3 0 -8.04998500861558 1012078 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC(=C(C=C4OC)OC)OC 1 4.751 3 5 0 -8.77427723316716 1012029 CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN=CC2=CC=C(C=C2)C(F)(F)F)C 1 2.744 5 3 0 -1.34247269387386 1012022 CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=NNC(=O)C3=C(C(=NN3C)C)Br)C 1 3.907 5 2 0 -12.1217851464464 1012003 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC 1 2.884 3 6 0 -13.9623094868897 1011996 CC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 2.77 5 4 0 -10.481126753434 1011992 CC1=C(C(=NN1C)C(=O)NN=C(C)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Br 1 3.626 5 2 0 -12.5608512101165 1011983 C1=CC=C2C=C(C=CC2=C1)OCC3=CC=CC(=C3)C(=O)OCC(F)(F)F 1 5.168 0 3 -2.27373442048949 1011947 C1CCCN(CC1)C(=O)C2=CC=C(O2)COC3=CC=CC=C3Br 1 4.406 1 3 -6.5126949091017 1011923 CC1=CC(=C(C=C1)OCC(=O)NN=C2CC(=O)CC(C2)(C)C)Br 1 2.934 2 3 -9.12196073242322 1011913 CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC=C(C=C2)Br 1 3.832 1 3 -11.0204465839938 1011859 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 2.155 2 4 -18.4364447813812 1011853 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.068 2 4 -18.7909132955493 1011846 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 4.128 2 2 -3.59872282166564 1011844 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3 1 2.149 4 4 0 -14.8358083555196 1011841 C1CC2=CC=CC=C2C(=NNC(=O)CCC(=O)NC3=CC=CC=C3Cl)C1 1 3.445 3 2 -11.9857620093424 1011801 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)Br 1 4.896 2 2 -4.0556133378567 1011789 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NN=C2CCCC3=CC=CC=C32 1 3.113 3 3 -12.9972026446083 1011763 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 3.333 2 6 0 -22.9416611818831 1011742 CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2Br 1 2.863 3 3 -14.5454574634334 1011681 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 1.149 3 7 0 -22.7571747776642 1011670 CC1(CC(=NNC(=O)COC2=C(C3=CC=CC=C3C=C2)Br)CC(=O)C1)C 1 3.357 2 3 -6.05455457036925 1011654 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.087 3 5 0 -20.1234849824766 1011623 C1CC2=CC=CC=C2C(=NNC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C1 1 4.974 2 1 -12.838680650678 1011581 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3 1 2.557 3 3 -16.7983965266296 1011568 CCOC(=O)C(=NNC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C#N 1 2.898 4 4 0 -13.5171216851988 1011556 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NN=C3C(=O)CC(CC3=O)(C)C 1 2.757 3 4 0 -25.5465139594782 1011555 CC1(CC(=O)C(=NNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)C1)C 1 2.962 3 4 0 -22.8250257061131 1011536 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)F 1 4.386 3 2 -13.020465839717 1011535 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2 1 4.181 3 2 -14.0513771035672 1011511 C1=CC(=CC=C1NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl)F 1 4.643 3 2 -6.17130984934233 1011465 CCC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2OC)OC)Br 1 3.186 3 4 0 -9.90033853886615 1011446 COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.602 1 6 0 -18.2696621375408 1011412 CN1C=C(C(=N1)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br)Cl 1 3.757 4 3 0 -3.40919478415156 1011410 CCC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(O2)Br)C 1 3.307 1 4 -11.0690520205667 1011402 CN1CCN(CC1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Br 1 2.498 3 3 -4.05663464131792 1011395 C1=CC(=CC=C1CNC(=O)C2=CC=C(O2)Br)S(=O)(=O)N 1 1.289 2 4 0 -13.7306658789891 1011383 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC=C3)C(=O)NC4=CC5=C(C=C4)OCCO5 1 2.97 2 6 0 -10.6798289728659 1011382 CCN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC(=CC(=C3)O)O)C4=CC=CC=C41 1 4.247 3 3 0.770001119535665 1011372 CC1=C(SC(=C1C(=O)N)N=CC2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4 1 5.454 2 1 4.43446033396618 1011349 CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NOC(=C5)C)C 1 5.346 4 4 0 -15.7548846688972 1011335 COC1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)OC 1 3.436 2 4 -6.56957041899804 1011329 CCOC1=CC=C(C=C1)C(=O)NN=C(C)C2C(=O)C3=CC=CC=C3C2=O 1 2.457 2 4 -5.90401158076638 1011328 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NCC4=CC=CS4 1 5.467 2 1 -3.93160400120984 1011325 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3 1 3.171 3 3 -20.3355528607402 1011274 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl 1 3.076 5 3 0 -11.1750364055327 1011264 C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC=CC=C3C(=O)O)C(=O)O 1 2.658 2 6 0 -7.5449275756162 1011253 CC1=C(SC(=N1)NC(=O)COC2=CC=C(C=C2)Cl)C(=O)N(C)C 1 2.099 3 3 -8.54603450659465 1011199 C1=CC=C(C=C1)NC(=O)NNC(=O)COC2=C(C3=CC=CC=C3C=C2)Br 1 3.271 3 3 -4.24900457686493 1011235 CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC=CC=C2 1 3.805 2 4 -11.9751969504223 1011209 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=N4 1 4.305 3 1 -6.62341842088053 1011182 C1CC2=CC=CC=C2N(C1)C(=O)CCCC(=O)N3CCCC4=CC=CC=C43 1 3.88 2 2 -11.1240589827566 1011163 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 3.989 3 3 -10.8032341891468 1011162 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)/C=C/C(=O)O 1 2.167 2 5 0 -6.04119123987743 1011161 C1=CC(=CC(=C1)Br)C(=O)NNC(=O)NC2=CC=C(C=C2)Cl 1 3.192 3 2 -3.03268192584999 1011147 COC1=CC(=C(C=C1)C(=O)NC2=NC(=CC=C2)NC(=O)C3=C(C=C(C=C3)OC)OC)OC 1 3.261 3 6 0 -2.97612321898335 1011145 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C 1 4.416 3 3 -8.23499267379212 1011124 CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)F)C(=O)C 1 4.795 4 1 -1.62827419760133 1011083 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=C(C4=CC=CC=C4S3)Cl 1 4.896 2 1 4.33166666457313 1011075 CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2F)C(=O)N)C 1 2.59 2 4 -15.5049003467159 1011074 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 3.851 2 3 -0.623368843745681 1011056 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3)OC 1 2.924 4 5 0 -19.8248404713025 1011052 CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC 1 3.211 4 6 0 -18.7038730196569 1011044 COC1=CC=C(C=C1)OCC(=O)NC2=NON=C2NC(=O)COC3=CC=C(C=C3)OC 1 1.919 4 7 0 -7.38207150966354 1011024 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C 1 2.896 4 3 0 -14.0170003415248 1011017 C1CN(CCN(C1)C(=O)/C=C/C2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3 1 3.123 2 2 -4.23392151041292 1011006 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3)C 1 2.444 4 3 0 -12.5646693281342 1011000 CCCC(=O)NC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 1.939 3 4 0 -15.9653595799047 1010995 CC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3NC(=O)COC4=CC=CC=C4C 1 5.56 2 4 -3.76937007202599 1010993 CC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3NC(=O)COC4=CC=C(C=C4)C 1 5.56 2 4 -3.67781433455738 1010988 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C 1 5.296 2 4 -3.02243558450129 1010937 C1CN(CCN(C1)C(=O)/C=C/C2=CC=CC=C2Cl)C(=O)/C=C/C3=CC=CC=C3Cl 1 4.452 2 2 -2.315116403057 1010926 CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC(=N2)OC)OC 1 2.348 4 5 0 -23.5276996050472 1010889 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(OC=C2)C)C(=O)OC)C 1 2.395 2 5 0 -20.0206870235013 1010865 CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NN=C2CC(=O)CC(C2)(C)C 1 2.173 3 3 -15.0379955209224 1010844 CC1CCN(CC1)C(=O)COC2=C(C3=CC=CC=C3C=C2)Br 1 3.905 1 2 -5.52370465238184 1010824 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4C=NC5=CC=CC=C54)C 1 6.105 3 1 -2.54759167306581 1010790 CC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.514 2 4 -18.2732684951453 1010754 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)OCC)C 1 4.754 2 5 0 -20.7557742999309 1010739 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C 1 2.254 4 3 0 -19.9720311896597 1010736 C1COCCN1C(=O)COC2=C(C3=CC=CC=C3C=C2)Br 1 2.423 1 3 -4.40289149825301 1010725 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCC5=CC=CC=C54 1 5.97 2 1 -3.66720101872553 1010724 CC1=CC=CC=C1OCC(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3C 1 2.768 2 4 -5.19674166474408 1010721 CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)COC2=CC=CC(=C2)C 1 1.98 3 4 0 -9.85783011040907 1010720 CC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.74 2 5 0 -20.5859197307631 1010707 CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.514 2 4 -18.3501257546891 1010677 C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)F)C(=O)O 1 2.937 2 5 0 -7.07583640898949 1010637 CCC(CC)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 2.477 3 3 -12.4370639556365 1010634 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3 1 2.028 2 4 -18.8383597666579 1010632 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.381 2 4 -12.309460797524 1010630 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O 1 1.822 2 5 0 -19.8954555164474 1010629 CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN4CCOCC4 1 3.515 3 2 -7.83958042251051 1010589 CC1=C(C(=CC=C1)C)NC(=O)C2=NC(=CC=C2)C(=O)NC3=C(C=CC=C3C)C 1 5.05 3 2 -9.14156031510047 1010579 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 2.854 2 3 -21.7329935869976 1010578 CC1=C(C=C(C=C1)Cl)NC(=O)CCC(=O)NC2=C(C=CC(=C2)Cl)C 1 4.251 2 2 -5.86772270350744 1010571 COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)OC)OC 1 4.698 2 4 -7.18937735310605 1010559 C1CCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br 1 4.586 2 1 -2.93277058476516 1010558 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.905 2 4 0 -22.9767359123743 1010542 CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.188 3 3 -14.1690271182832 1010526 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.47 2 2 -13.8461773506533 1010518 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC4=CC=CC=C4C=C3 1 3.848 2 4 -16.1580734106294 1010432 COC1=C(C=C(C(=C1)NC(=O)C2=CC=C(C=C2)Cl)Cl)NC(=O)C3=CN=CC=C3 1 3.561 3 3 -7.55144789467761 1010420 COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)OC 1 2.162 2 4 -7.21203462808842 1010410 CC1=C(SC(=C1C(=O)N)NC(=O)CC2=CC=C(C=C2)OC)CC3=CC=CC=C3 1 3.752 2 3 -7.10416242195752 1010376 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)OC)OC 1 2.208 3 6 0 -19.3437658955146 1010373 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC4=CC=CC=C4C=C3 1 3.247 4 4 0 -12.6757462185043 1010370 CC1=C(C=CO1)C(=O)NNC(=O)COC2=CC=C(C=C2)Br 1 1.704 2 4 0 -8.14943572072458 1010358 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 2.854 2 3 -17.6716786838222 1010323 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 3.366 2 4 -19.4618524584835 1010308 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C(F)(F)F 1 2.806 2 3 -17.7847665598509 1010280 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3 1 2.075 2 5 0 -8.63014446531111 1010252 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2CCCCCCC2 1 4.805 1 4 -12.9911425674191 1010251 COC(=O)C1=C(C=CS1)NC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl 1 4.22 1 3 -3.81334291792989 1010230 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 1.928 3 5 0 -17.2395262406474 1010170 C1=CC=C2C(=C1)C(=O)N(C2=O)NC(=O)COC3=CC=C(C=C3)Br 1 2.279 2 4 -5.5882577927173 1010148 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 5.493 2 1 0.909098343722315 1010129 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3 1 1.254 2 5 0 -21.1510110022757 1010121 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.293 3 4 0 -11.3515585404584 1010088 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCC2=CC=CC=C2 1 1.186 3 4 0 -15.5830350323809 1010065 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)OC)OC 1 1.405 2 5 0 -8.33307649193607 1010025 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.152 2 4 -5.23889123830623 1010001 CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)C3C(=O)C4=CC=CC=C4C3=O 1 2.791 2 4 0.72328337124491 1009992 CCN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)O)C4=CC=CC=C41 1 4.489 3 2 0.470678260118803 1009852 CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 4.163 2 4 -16.5670243884359 1009836 COC(=O)C1=CC(=C(C=C1N2CCOCC2)Cl)S(=O)(=O)N3CCOCC3 1 1.004 2 6 0 -13.7103144475596 1009810 COC1=CC(=CC(=C1OC)OC)C=NC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 4.162 2 4 -2.07706091603758 1009787 CC1=C(C(=CC=C1)C)NC(=O)CN(C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.994 3 7 0 -20.1277616742219 1009781 C1CCN(C1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.144 3 5 0 -17.8564958211356 1009776 COC1=CC=CC=C1CC(=O)NNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.487 3 6 0 -16.144966182571 1009775 COC1=C(C=C(C=C1)CC(=O)NNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC 1 1.471 3 7 0 -17.6574039175195 1009770 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.135 3 6 0 -7.89971355609935 1009769 COC1=CC=CC=C1CC(=O)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.487 3 6 0 -13.2903112714742 1009767 COC1=C(C=C(C=C1)CC(=O)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC 1 1.471 3 7 0 -14.9711620034352 1009749 COC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)C3=CC(=CC=C3)Br 1 4.323 2 2 -0.658945759625874 1009728 COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC 1 2.908 4 6 0 -19.2542189267576 1009725 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)OC)C 1 2.428 4 4 0 -12.1628206324987 1009671 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CO4)OC 1 3.903 2 4 -13.3972574807122 1009581 C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCO5 1 1.723 2 6 0 -6.07644571972744 1009573 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)C 1 2.346 3 4 0 -17.7594025565475 1009542 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC(=O)C)C 1 4.415 3 4 0 -9.66033575765345 1009538 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)C(=C(S2)NC3=CC=C(C=C3)OC)C(=O)OCC)OCC(=O)O 1 4.121 1 8 0 -13.9010184490873 1009537 CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(SC=C4)C(=O)OC)C 1 5.529 2 3 -7.65263819692328 1009515 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)C(=C(S2)NC3=CC=C(C=C3)C)C(=O)OCC)OCC(=O)O 1 4.623 1 7 0 -13.5590951885782 1009466 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(=O)N 1 3.29 3 3 -7.39888240839238 1009464 CC1=NC(=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)C 1 4.517 3 1 -4.78761004106255 1009439 CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)OC 1 5.046 3 3 -16.7089338076946 1009418 COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O)OC 1 2.752 4 4 0 -6.36383556035327 1009410 C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)Cl)Cl 1 4.926 4 1 -9.26479497875862 1009408 C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)Cl 1 4.926 4 1 -11.1754117949235 1009407 CN1C=C(C(=N1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] 1 1.525 5 5 0 -4.73484212828541 1009406 C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F 1 4.467 4 1 -12.6410623011594 1009405 C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=C(C=C4)F)Cl 1 4.467 4 1 -10.6492763343827 1009404 CC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3N4CCOCC4 1 3.185 4 3 0 -12.8342815850435 1009400 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl 1 4.253 4 2 -13.8758907961905 1009385 C1CSC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br 1 4.984 3 1 -9.56347163855089 1009382 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3 1 4.506 4 3 0 -2.4912744048134 1009274 CCCC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NN=CC3=CN=CC=C3 1 3.971 3 3 -4.90565828004835 1009329 C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F 1 2.468 3 2 -8.92620266067082 1009328 CC(C)OC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=CC=C3 1 4.069 1 4 -16.939606848785 1009320 C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2F)C(=O)NC3=CC=CC=C3F 1 3.81 2 2 -5.46134934385869 1009265 CC1=C(C=CO1)C(=O)NN=CC2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Cl 1 4.147 2 4 -4.79954428214413 1009261 CN1C=CC(=N1)C(=O)NC2=C(C=C(C=C2)Br)Br 1 3.189 3 1 -6.58599039003033 1009238 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4 1 4.731 2 2 -2.7429769698002 1009217 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2=C(N=CC=C2)Cl 1 2.52 3 4 0 -14.6131821152023 1009215 CC1=CC=C(O1)C(=O)NC2=CC=CC(=C2)C(=NNC(=O)C3=CC=C(O3)Br)C 1 2.952 3 4 0 -8.34819898347038 1009195 CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N(C)C 1 2.366 4 4 0 -19.5320695436472 1009177 CC1=C(C(=CC=C1)C)OCC2=C(C=CC(=C2)C=NNC(=O)C3=C(OC=C3)C)OC 1 4.455 2 4 -8.71084837964636 1009170 CC(=NNC(=O)C1=NN(C=C1Br)C)C2=CC(=CC=C2)NC(=O)C(C)(C)C 1 3.157 5 2 0 -17.2001335236355 1009162 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)OC 1 3.11 2 6 0 -7.21357175998213 1009142 CCOC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 2.616 5 5 0 -11.6603161142861 1009130 CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C#N)C 1 5.395 3 3 -18.531488421598 1009121 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN4CCOCC4)OC 1 2.54 3 4 0 -11.2892569582882 1009117 CC1=CC(=NN1CC2=C(C=CC(=C2)C=NNC(=O)COC3=CC=CC=C3Cl)OC)C 1 3.828 4 3 0 -15.4761711430184 1009114 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.705 4 2 0.947856740139773 1009098 CC1=NN(C(=C1Cl)C(=O)NN=C(C)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3)C 1 2.186 6 2 0 -10.3556795355551 1009094 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-])O 1 2.026 5 6 0 -7.97185346349379 1009081 CC(=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)OC 1 3.31 4 6 0 -15.9673778927238 1009033 CC1=CC=C(O1)C(=O)NC2=CC=CC(=C2)C(=NNC(=O)C3=CC(=CC=C3)Br)C 1 3.737 3 3 -6.78962002829048 1009022 C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=O)NN=CC3=CC(=CC=C3)O)Br 1 4.756 2 3 -2.45544296575683 1009017 CCOC1=C(C(=CC(=C1)C=NNC(=O)N)Br)OCC(=O)NC2=CC=CC=C2C 1 2.996 4 4 0 -14.6938189272436 1009002 CC1=C(C=CO1)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)OC 1 2.665 3 5 0 -13.215509795892 1008999 CC(C)C(=O)NC1=CC=CC(=C1)C(=NNC(=O)C2=CC(=CC=C2)Cl)C 1 3.578 3 2 -12.1293210539382 1008973 COCC1=C(C=CC(=C1)C=NNC(=O)COC2=CC=C(C=C2)Cl)OC 1 2.97 2 4 -6.86981835885803 1008969 CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CC(=CC=C2)NC(=O)CC3=CC=C(C=C3)OC 1 3.361 4 5 0 -14.4810303828279 1008966 CC(=NNS(=O)(=O)C1=CC=C(C=C1)OC)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl 1 3.799 3 4 0 -9.65586338802238 1008949 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(O3)COC4=C(C(=CC(=C4F)F)F)F 1 4.735 2 3 -2.67008151912116 1008948 CC1=CC=C(O1)C=NNC(=O)C2CCN(CC2)CC3=C(C=C(C=C3)F)Cl 1 3.639 3 2 1.88057666479216 1008908 C1=CC=C(C=C1)CNC(=O)COC2=C(C=C(C=C2)Br)C=NNC(=O)N 1 2.184 4 3 0 -10.4491514512221 1008893 CC(=NNC(=O)C1=CC=CO1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 2.806 3 4 0 -10.7765264095748 1008886 CC1=C(C=CC(=C1OC)C=NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3Cl)OC 1 4.841 2 5 0 -3.90851425322588 1008876 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)OC(C(F)F)(F)F)O 1 3.905 2 4 -3.92823687823326 1008867 C1=COC(=C1)C(=O)NN=CC2=CC=C(O2)COC3=CC=C(C=C3)Br 1 3.867 2 4 -6.19827237887973 1008854 CC(=NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3 1 3.654 3 2 -8.98495619520362 1008848 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=C(C=C2)OC)COC3=CC=CC=C3[N+](=O)[O-] 1 4.317 3 6 0 -7.26141296413083 1008846 CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl 1 4.302 3 3 -6.27954837160057 1008835 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-])Cl 1 4.282 3 5 0 -8.80919755306613 1008824 CC1=C(C=CC(=C1)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-] 1 3.796 4 6 0 -17.5104844747678 1008821 CC(=NNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C 1 3.302 3 2 -6.98078340041001 1008789 CC(=NNC(=O)C1=CC=CS1)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl 1 3.901 3 3 -10.4051256824845 1008773 CC1=C(SC(=C1C(=O)OC)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C 1 3.124 1 5 -13.8890592276083 1008760 CC1=CC(=CC(=C1)OCC(=O)NN=CC2=CC(=C(C=C2)OC)COC(=O)C)C 1 3.249 2 5 0 -10.6953345467888 1008756 C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(O2)C3=CC=CC=C3Cl 1 4.255 2 3 3.26982581795132 1008732 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(SC=C4)C(=O)OC 1 5.042 2 3 -8.64962198728265 1008711 CC(=NNC(=O)C1=CC=C(O1)Br)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)OC 1 3.43 3 4 0 -13.5471467558149 1008698 CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CSC3=CC=CC=C3 1 4.5 1 4 -8.08530649745819 1008695 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)F)COC3=CC=CC=C3 1 4.439 2 3 -7.62915830962984 1008686 C1=CC(=CC(=C1)Cl)C(=O)NN=CC2=CC=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-] 1 4.282 3 5 0 -6.16516574078496 1008649 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3C(=O)O 1 3.029 2 4 -9.36222785075815 1008613 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=CC=C3C(=O)O 1 3.03 2 4 -13.5766286939379 1008607 CCN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC=CC=C3C)C4=CC=CC=C41 1 5.217 3 1 -4.13865060813555 1008599 COC1=CC(=C(C=C1C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br)OC 1 3.293 3 5 0 -8.23038608262076 1008567 COC1=CC(=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Br)OC 1 4.37 1 5 -8.56712689048576 1008518 CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C 1 3.481 1 6 0 -2.23139451049057 1008516 CC(=O)OC1=C(C=C(C=C1)C(C2C(=O)CC(CC2=O)(C)C)C3C(=O)CC(CC3=O)(C)C)OC 1 2.674 0 7 0 -6.41319008174241 1008511 C1CN(CCN1C(=O)COC2=CC=CC=C2)C(=O)COC3=CC=CC=C3 1 1.795 2 4 0 -5.76183293625668 1008368 COC1=CC=C(C=C1)C(=O)N2C3=CC4=C(C=C3N=C2SC)OCCO4 1 3.852 2 4 -3.50960504102062 1008327 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC(=S)N2CCOCC2 1 2.733 2 4 -16.1891406970513 1008292 CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN(C)C)C=C1 1 3.7 3 3 -5.83605325984552 1008286 C1=CC=NC(=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)Cl 1 4.68 3 3 -5.75689267140632 1008284 C1=CC(=C(C(=C1)Cl)C=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br)F 1 4.008 4 2 -7.30186286558931 1008282 CCC(=O)NC1=CC=C(C=C1)C(=NNC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C)C 1 3.662 4 3 0 -14.3212549880949 1008246 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC4=CC=CC=C4O3 1 4.505 3 2 -2.75057276125387 1008242 CN1C=C(C(=N1)C(=O)NN=CC2=CC(=C(C=C2)OC)CSCC3=CC=CO3)Br 1 3.807 4 3 0 -11.4208047035615 1008238 CCN1C=CC(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3OC 1 2.513 4 4 0 -15.0557506656395 1008232 CC1=C(C=CC(=C1OC)C=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-])OC 1 2.737 5 6 0 -7.94458819191396 1008230 CC(=NNC(=O)C1=CC=C(O1)CN2C=CC=N2)C3=CC(=CC=C3)NC(=O)C4=CC=NC=C4 1 2.004 6 3 0 -13.3431286706444 1008227 CC(=O)C1=NN(C=C1C(=O)C2=CC=C(C=C2)OC)C3=CC(=CC=C3)Br 1 4.361 2 3 3.04414293462909 1008212 CC1=CC(=NN1CC2=C(C=CC(=C2)C=NNC(=O)COC3=CC=C(C=C3)C(C)(C)C)OC)C 1 4.564 4 3 0 -12.4927804436146 1008207 CC(=NNC(=O)C1=CC=NC=C1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C 1 3.698 4 2 -6.30488556871267 1008196 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CN=CC=C4)C 1 4.638 4 1 -3.1014778534587 1008194 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=C(C4=C(S3)C=CC=C4Cl)Cl 1 4.933 2 3 -0.597349714708716 1008192 C1=CC=C(C=C1)NC(=O)NNC(=O)C2=C(C3=C(S2)C=CC=C3Cl)Cl 1 4.261 3 2 0.378256132645517 1008186 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=CO4 1 4.195 3 3 -3.46105188029737 1008176 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C)C 1 3.32 2 3 -16.6898524649335 1008169 CN1C(=C(C=N1)Cl)C(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 1.951 5 5 0 -8.79285774362456 1008157 CC1=CC=C(S1)C(=O)NN=CC2=CC3=C(C=C2Br)OCO3 1 3.298 2 3 -4.70819061867206 1008155 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NN=CC3=CC(=CC=C3)Br)[N+](=O)[O-])Cl 1 4.381 5 4 0 -4.94666639559883 1008149 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CN=CC=C3 1 2.935 3 3 -16.3154883188215 1008125 CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3)OC 1 1.745 3 4 0 -19.3876187114775 1008120 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCC3 1 3.169 2 3 -8.8370805723582 1008111 CC1=CC(=NN1CC2=C(C=CC(=C2)C=NNC(=O)C3=CC=CO3)OC)C 1 2.723 4 3 0 -14.9147226814437 1008095 CC1=C(C(=NN1C)C(=O)NN=C/C(=C/C2=CC=CC=C2)/C)Br 1 3.462 4 1 -6.85879686009169 1008094 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3 1 1.027 3 5 0 -18.2601276546996 1008092 COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3 1 1.027 3 5 0 -20.2590126043329 1008091 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NN=CC3=CC=CC=N3)[N+](=O)[O-])Cl 1 2.911 6 4 0 -5.9702765027361 1008083 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3)Cl 1 1.942 2 4 0 -17.8759013586784 1008082 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3)Cl 1 1.708 3 4 0 -20.1418609096486 1008081 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3)Cl 1 1.708 3 4 0 -22.1407458592818 1008080 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3)Cl 1 1.923 3 4 0 -21.8226100523203 1008073 CC1=CC(=CC=C1)NC(=O)NNC(=O)C2=NN(C=C2Br)C 1 2.092 5 2 0 -2.99247309555207 1008070 CCOC1=C(C(=CC(=C1)C(=O)NC2=CC=CC=C2F)Br)OCC 1 4.233 1 3 -9.54576670764254 1008069 CC1=NN(C(=C1Cl)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3CCCC3)C 1 3.342 5 2 0 -4.59845827871211 1008065 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=C(C(=CC=C4)OC)OC 1 4.767 3 4 0 -3.78474520605707 1008056 COC1=C(C(=CC(=C1)C(=O)NCC2=CC=CC=C2)Br)OC 1 3.337 1 3 -9.22151159033504 1008052 CCOC1=C(C=C(C=C1Br)C(=O)N)OCC2=CC=CC=C2 1 3.48 1 3 -6.74827018991135 1008048 COC1=C(C(=CC(=C1)C(=O)NCC2=CC=CC3=CC=CC=C32)Cl)OC 1 4.161 1 3 -6.04766771364202 1008047 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)OC(C(F)F)(F)F 1 3.984 4 4 0 -16.550435473814 1008046 CCOC1=C(C(=CC(=C1)C(=O)NC2=CC=C(C=C2)F)Br)OC 1 3.884 1 3 -6.62634451524616 1008034 CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=NC=C4 1 4.841 4 2 -6.67474501975742 1008033 CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C4=CC=CC=C4 1 2.712 6 2 0 -19.9564341591425 1008032 CC1=NN(C(=C1Br)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3CCC3)C 1 2.97 5 2 0 -5.07249606315742 1008030 CC1=C(C(=CC=C1)OCC2=NN=C(O2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C 1 3.915 4 3 0 -12.9633984063277 1008028 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCOCC3 1 1.467 2 5 0 -12.7055120058999 1008024 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC(=C(C=C4)OC)O 1 5.044 3 3 0.928126506461724 1008020 CCC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)NC3=CC=CC(=C3)C(=O)N4CCOCC4 1 2.728 4 5 0 -24.0426806370426 1008019 CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(=O)N4CCOCC4 1 2.468 5 4 0 -19.3652372693014 1008007 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)C 1 3.527 4 2 -1.06243854478085 1008006 CN1C(=NN=C1SCC2=CC=C(C=C2)F)CNC(=O)C3=CC=CC=C3F 1 3.462 4 1 -17.8899222472506 1008004 CC1=CC=C(C=C1)CSC2=NN=C(N2C)CNC(=O)CC3=CC=C(C=C3)OC 1 3.556 4 2 -18.6355344268777 1007998 CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C4=CC=CC=C4 1 2.363 6 2 0 -18.6836216162744 1007995 CCC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.885 4 3 0 -14.8603180426424 1007976 COC1=C(C=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)F)CN3CCSCC3 1 3.081 3 3 -1.90023732341739 1007964 CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC=CC=C3F 1 1.366 3 5 0 -27.0761540983568 1007959 C1=CC(=CC=C1C=NNC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)F 1 3.777 5 4 0 -6.33966338475139 1007939 CN(C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)C 1 1.309 3 5 0 -22.6475425609601 1007938 CN(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)S(=O)(=O)C 1 0.833 3 5 0 -18.9299120662072 1007917 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CSC4=CC=CC=C4 1 3.841 2 3 -14.788825032792 1007908 C1COCCN1C(=O)COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)Cl 1 1.926 2 5 0 -12.4779464246788 1007902 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC=C(S3)Br)Cl 1 3.637 2 3 -1.75265946045213 1007899 CCN1C=C(C(=N1)C)C=NNC(=O)C2=CC(=C(C(=C2)OCC)OCC)OCC 1 2.961 4 4 0 -12.4403284982976 1007895 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC=NC=C3)Cl 1 2.465 3 4 0 -13.0680688768489 1007894 CC1=CC=C(S1)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 4.711 3 3 -8.43102944157885 1007879 CC1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C 1 2.746 2 3 -19.617175722733 1007873 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C 1 1.546 3 5 0 -18.3729092247951 1007867 CC(=NNC(=O)C1=CC=C(C=C1)Br)C2=CC(=CC=C2)NC(=O)C3=CN=CC=C3 1 3.046 4 2 -10.2150278554329 1007866 CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC=CC=C3 1 1.161 3 5 0 -25.0702328661807 1007860 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 1 5.172 2 4 -14.1809715074195 1007851 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.733 2 5 0 -20.6132377997981 1007845 CCOC1=C(C(=CC(=C1)C=NNC(=O)N)Br)OCC(=O)NC2=CC=CC3=CC=CC=C32 1 3.418 4 4 0 -13.1054739063576 1007842 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)C3=CC=CC=C3 1 0.685 3 5 0 -21.9144339778276 1007840 CC1=C(C(=CC=C1)C)N(CC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)S(=O)(=O)C 1 4.78 2 4 -9.70261177678228 1007833 CC1=C(C=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)S(=O)(=O)C)C 1 4.78 2 4 -10.6270655555245 1007824 C1CN(CCC1C(=O)N)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)Cl 1 1.712 3 5 0 -10.8010684585368 1007805 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 4.7 1 3 -7.24815188125601 1007802 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=O)NC4=CC(=CC=C4)Cl 1 4.577 4 2 -4.56778014176877 1007796 CC(=NNC(=O)C1CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 2.505 3 3 -12.6463354990869 1007795 CC1=CC(=C(C=C1)C)N(CC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)S(=O)(=O)C 1 4.78 2 4 -10.99015784653 1007792 CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC(=C(C=C4)OC)CN5CCOCC5 1 4.893 4 4 0 -8.40000899920687 1007787 CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCC3=CC=CC=C3C2 1 3.03 2 3 -21.1923057264802 1007780 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 1 5.433 2 4 -12.2188687372734 1007774 CCN1C(=NN=C1SCC2=NC(=NO2)C3=CC=CC=C3)C4=CC=CO4 1 3.319 5 2 0 -0.960979021834791 1007772 CCN1C(=NN=C1SCC(=O)NCC2=CC=CS2)C3=CC=CS3 1 3.093 4 1 -20.1539645031088 1007770 CN1C(=NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)Br)C4=CC=CO4 1 3.718 5 2 0 0.760419241740903 1007769 CN1C(=NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)Cl)C4=CC=CO4 1 3.634 5 2 0 2.21707898684234 1007768 CN1C(=NN=C1SCC(=O)NCC2=CC=CS2)C3=CC=CS3 1 2.745 4 1 -19.3698158278585 1007763 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)C4=CC=CS4 1 3.763 4 2 -19.8874188944917 1007761 C1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CS4 1 4.891 4 1 -19.8112662787904 1007753 CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C)C4=CC=CS4 1 4.014 5 1 -3.10531359966037 1007749 CN1C(=NN=C1SCC2=NC(=NO2)C3=CC=CC=C3)C4=CC=CS4 1 3.528 5 1 -3.67722424250035 1007733 CN1C(=NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)Cl)C4=CC=CS4 1 4.193 5 1 -1.28331490907355 1007714 CC1=NON=C1OCC(C)(COC2=NON=C2C)NC(=O)C3=CC=CC=C3 1 1.788 5 5 0 -11.2480822651185 1007713 CC1=NON=C1OCC(C)(COC2=NON=C2C)NC(=O)C3=CC=C(C=C3)Cl 1 2.452 5 5 0 -8.63043600702238 1007679 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3(CCCC3)C4=CC=CC=C4)C 1 3.864 4 3 0 -14.6293608809896 1007663 CC1=CC=C(C=C1)CN2C3=C(N=C2OC4=CC=CC(=C4)C(=O)OC)N(C(=O)N(C3=O)C)C 1 3.927 4 5 0 -17.0324054752331 1007660 C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Br)C4=CN=CS4 1 4.555 3 0 -3.62866867200153 1007622 CC1CCN(CC1)C(=S)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4F 1 6.125 2 0 -9.53675228322953 1007621 CC1CCN(CC1)C(=S)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)F 1 6.125 2 0 -8.60433242031647 1007600 C1=CC(=CC(=C1)OC(=O)C2=CC=CS2)/C=C\3/C(=O)NN(C3=O)C4=CC(=C(C=C4)F)Cl 1 4.507 2 4 -10.0793310979004 1007534 COC1=C(C=C(C=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)C(=O)OC)OC 1 2.074 2 6 0 -10.7102226870281 1007499 CC1=CC=C(C=C1)C(=O)N(NC2=NS(=O)(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C 1 3.783 3 5 0 -10.1977146780263 1007472 CN(C1=NS(=O)(=O)C2=CC=CC=C21)N=CC3=CC(=C(C=C3)OC)OC 1 2.438 3 4 0 -7.37898928005926 1007339 COC1=CC=CC=C1NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br 1 4.551 1 3 -1.39424828727209 1007337 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br 1 5.352 2 3 -0.879270175002242 1007248 COC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3[N+](=O)[O-] 1 4.282 2 4 -7.29851606084461 1007227 CC1=CN2C(=C(C(=O)N=C2S1)C=C3C=C(C(=O)C(=C3)Cl)Cl)N 1 1.801 3 2 0 -4.00966111656027 1007070 C1=CC=C(C(=C1)COC2=CC=CC=C2C=NNC(=O)CC3=NN=C(S3)N)F 1 2.624 5 2 0 -5.58420745950845 1007044 CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)C 1 5.318 2 1 -7.28549813945155 1007021 CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.038 2 5 0 -26.8979106956552 1007014 CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.528 2 5 0 -21.8809776944811 1006998 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=CO3 1 3.11 2 4 -19.3148521278616 1006992 CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 1 4.967 2 4 -15.4487114021025 1006987 CN1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3 1 2.461 3 3 -12.4280127506111 1006973 CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=CC=NC=C2 1 1.599 3 3 0 -23.3208602961735 1006951 CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCCC2=CC=C(C=C2)OC 1 3.054 2 4 -23.1784562030541 1006947 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=CO3 1 2.789 2 4 -17.5625064444244 1006928 C1COC2=C(O1)C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4 1 3.707 2 5 0 -16.2832656293744 1006923 CCN1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3 1 2.856 3 3 -11.447713476987 1006914 CSC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=CC=C3SC 1 3.52 5 1 -26.5302129863053 1006913 C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F)N 1 2.529 2 3 -6.77018082259962 1006911 CC1=C(N=C(S1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.161 5 1 -6.6038548420601 1006908 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4 1 4.015 5 1 -2.06070278097424 1006900 CN(C1=CC=CC=C1C(=O)NC2=CC3=CC=CC=C3C=C2)S(=O)(=O)C 1 2.64 2 3 -8.38114887266858 1006899 CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NC3=CC=C(C=C3)C(=O)OC)N 1 2.011 3 4 0 -9.25794676790436 1006898 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2CCCC2 1 3.034 2 3 -17.2111301257232 1006880 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N(C)S(=O)(=O)C 1 0.824 4 4 0 -21.2140875813489 1006879 CN(C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3 1 3.163 2 5 0 -14.8244168372478 1006875 CS(=O)(=O)N(CC(=O)N1CCC2=CC=CC=C2C1)C3=CC(=CC=C3)F 1 2.076 2 3 -14.7829295900336 1006871 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C)S(=O)(=O)C 1 2.921 3 4 0 -15.4558999366044 1006858 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C 1 1.767 2 5 0 -5.10519592714373 1006846 CN(C1=CC=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)OC)S(=O)(=O)C 1 1.418 2 5 0 -4.3389727754357 1006844 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 3.478 3 3 -9.79764508166959 1006841 CC1=C(C=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)OC)C(=O)OC 1 2.626 1 6 0 -11.5385681979701 1006790 CCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=C(C=C3)C 1 4.126 2 4 -15.0778861342974 1006782 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)N(CC3=CC=CC=C3Cl)S(=O)(=O)C 1 2.566 3 3 -8.42193474104375 1006779 C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NS(=O)(=O)C3=CC=C(S3)Br 1 2.645 2 4 -12.6209346939136 1006758 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)C 1 3.534 2 4 -12.6428716936065 1006756 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 1.444 3 5 0 -2.16482735707828 1006749 CC1=CC=CC=C1NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=CC=C3 1 3.794 2 3 -14.382036050103 1006706 CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=CC=C3)C 1 4.28 2 3 -14.4112713740773 1006701 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3 1 2.865 3 3 -15.4291405878947 1006693 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCCC2=CCCCC2 1 3.959 2 3 -22.3277394189399 1006692 COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3=CC=C(C=C3)F)OC 1 2.189 3 5 0 -25.1139311886087 1006677 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)N3CCCC3 1 2.884 2 3 -13.1038805791516 1006663 CN1CCN(CC1)C(=O)CN(C2=C(C=CC(=C2)C(F)(F)F)Cl)S(=O)(=O)C 1 1.776 3 3 0 -6.33571088560726 1006637 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C 1 1.037 2 5 0 -13.9478686501496 1006632 CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CC(=CC=C3)F 1 0.593 3 6 0 -25.5124332559709 1006616 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCC3)OC 1 2.662 2 4 -9.35009592201275 1006603 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCC3)C 1 3.651 2 3 -7.35534246023559 1006578 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)NC3CCCC3 1 3.619 2 3 -12.815488371248 1006525 COC1=C(C=C(C=C1)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Cl)OC 1 2.009 2 5 0 -13.384410305517 1006519 COC1=CC=CC(=C1)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.025 2 4 -8.11055237094056 1006496 C1COC2=C(O1)C=CC(=C2)NC(=O)CNS(=O)(=O)C3=CC=C(C=C3)Br 1 1.911 2 5 0 -13.9128220204158 1006494 C1=CC(=CC=C1S(=O)(=O)NCC(=O)NCC2=CC=NC=C2)Br 1 0.982 3 3 0 -13.7940499543241 1006492 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)Br 1 2.59 3 3 -5.12412726660637 1006478 COC1=CC=C(C=C1)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.025 2 4 -8.46725776562822 1006458 COC1=CC=C(C=C1)CNC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.032 2 4 -12.2263519675908 1006432 C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4F 1 5.026 3 3 -5.95815108085378 1006401 C1CN(CCN1CC2=CC=CC=C2)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)Br 1 2.296 3 3 -6.27301402031575 1006392 CCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br 1 4.696 6 2 0 -5.9738988241381 1006379 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=C4F 1 2.492 3 4 0 -15.4926347151895 1006364 COC(=O)NN1C(=O)C(=C(C1=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 3.245 2 4 -1.19353643000729 1006357 CC1=CC=C(C=C1)S(=O)(=O)CNC(=S)C2=CC3=CC=CC=C3C=C2 1 4.683 1 2 -3.09325300611781 1006316 CC1=C(C=CC(=C1OC)OC)C2=CC3=CC(=C(C=C3C(=N2)N)OC)OC 1 3.747 2 4 -0.455137979199375 1006305 C1CN2CCC1C3=C2C=C(C(=N3)SCC(=O)NC4=C(C=CC(=C4)Cl)Cl)C#N 1 4.355 4 1 -9.6758602577053 1006302 C1CN2CCC1C3=C2C=C(C(=N3)SCC(=O)NC4=CC(=CC(=C4)Cl)Cl)C#N 1 4.355 4 1 -10.6531555811828 1006299 COC1=CC(=C(C=C1)OC)NC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)CC4=CC=CC=C4)N 1 4.96 3 3 -6.1388294332599 1006298 C1=CC=C(C=C1)CC2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=CC=CC=C4F)N 1 5.199 3 1 -5.03971891361305 1006296 COC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)CC4=CC=CC=C4)N 1 4.977 3 2 -7.03780884809183 1006284 C1=CC=C(C=C1)CC2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NCC(=O)O 1 3.104 3 3 -19.3395647469221 1006280 COC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)CC4=CC=CC=C4)N)OC 1 4.96 3 3 -8.89794755155615 1006276 CC1=C(OC(=C1)C(C)(C)C)C(=O)N2CCN(CC2)C(=O)C3=C(C=C(O3)C(C)(C)C)C 1 5.271 2 4 -1.69070548655167 1006273 C1CC2=C(C1)N=C(C(=C2C(F)(F)F)C#N)SCC3=NC4=CC=CC=C4N3 1 4.937 4 0 -9.08195714827692 1006109 C1=CC(=CC=C1C(F)(F)F)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)F 1 2.525 2 3 -5.84742000033619 1006065 C1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 1.574 2 4 0 -20.0832097939812 1005958 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCC2=CC=C(C=C2)OC 1 2.077 2 5 0 -19.9115865629476 1005956 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)CN4CCOCC4 1 3.299 3 2 3.21341754689731 1005937 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CN=CC=C3 1 2.075 3 4 0 -18.8654762949815 1005883 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C 1 2.036 3 3 -9.48945429595376 1005906 CS(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 0.797 3 3 0 -11.9350579241657 1005871 CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)CC4=CC=CC=C4 1 3.459 4 2 -14.7863056690437 1005736 CC1=CC(=O)NC(=C1C#N)SCC(=O)NC2=CC=CC=C2C(=O)OC 1 1.676 3 4 0 -23.6405287619003 1005734 C1=CC(=CC=C1C2=CC=C(N2NC(=S)N)CCC(=O)O)Br 1 3.628 3 2 -6.03450212986907 1005681 CCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)C3=CC=NC=C3 1 2.75 5 2 0 -12.5439161634199 1005680 COC1=CC(=C(C=C1)OC)C2=NC3=C(C(=C2)C(F)(F)F)C4=C(S3)C(=O)C=C(N4)O 1 4.71 2 4 -1.76168745481279 1005651 C1CC2=C(C1)N=C3C(=C2C(F)(F)F)C(=C(S3)C(=O)NCC4=CC=C(C=C4)Cl)N 1 4.747 3 1 -7.17271388592522 1005644 COC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(C4=C(CCC4)N=C3S2)C(F)(F)F)N 1 4.066 3 2 -9.40767878565618 1005643 C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC=CC=C4 1 3.637 4 2 -15.1904526496784 1005641 CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(C4=C(CCC4)N=C3S2)C(F)(F)F)N 1 4.569 3 1 -8.99471257651204 1005619 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.187 2 4 -8.16503859775839 1005613 COC1=C(C=C(C=C1)CNC(=O)C2=C(C3=C(C4=C(CCC4)N=C3S2)C(F)(F)F)N)OC 1 4.05 3 3 -13.7095932164288 1005556 C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3CCCC3 1 3.044 2 4 -14.5983554983062 1005548 C1CCC(CC1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3 1 3.501 2 4 -14.5983554983062 1005542 CS(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.409 3 3 -19.5071818881268 1005513 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 2.233 2 3 -5.51322919375987 1005458 CCOC(=O)C1=CC=C(C=C1)NC(=O)CNS(=O)(=O)C2=CC=CC=C2 1 1.581 2 5 0 -15.1947067948641 1005424 CCOC(=O)CCSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N 1 4.6 2 4 -10.4038331122035 1003150 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NN=C(C)C3=CC(=CC=C3)NC(=O)C)[N+](=O)[O-])Cl 1 2.734 6 5 0 -12.2670238951644 1003131 CC(=NNC(=O)C1=CC=C(O1)CN2C=C(C=N2)Br)C3=CC(=CC=C3)NC(=O)C(C)(C)C 1 3.785 5 3 0 -16.8684715520128 1003129 CC1=NN(C(=C1Br)C(=O)NN=CC2=CC3=C(C=C2Br)OCO3)C 1 3.172 4 3 0 -5.93446390305792 1003111 CC1=NN(C(=C1Cl)C(=O)NN=C(C)C2=CC=C(C=C2)NC(=O)C3CCC3)C 1 2.886 5 2 0 -5.67918209685291 1003079 CC1=NN(C(=C1Cl)C(=O)NN=CC2=CC=C(C=C2)Br)C 1 3.32 4 1 -3.66847256857537 1003065 CCOC1=CC=CC=C1C=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 2.616 5 5 0 -10.7846554998664 1003050 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43 1 4.154 2 4 -1.69296795510667 1003023 CC(C)N1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC4=C(O3)C=CC5=CC=CC=C54 1 5.412 3 2 -2.13861589009877 1003022 CCN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC4=C(O3)C=CC5=CC=CC=C54 1 5.034 3 2 -2.10901967617386 1003016 C=CCN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC4=C(O3)C=CC5=CC=CC=C54 1 5.302 3 2 -3.99513058413491 1003013 CC(=O)OC1=CC=C(C=C1)C=NNC(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43 1 3.954 2 4 -3.19071644095791 1003010 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43)O 1 3.928 2 4 1.32598824645686 1002961 COC1=C(C=C(C=C1)Br)C=NNC(=O)C2=CC=C(O2)COC3=CC4=C(CCC4)C=C3 1 5.512 2 4 -5.94283292822932 1002952 CC(=O)OCC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC)OC 1 4.558 3 5 0 -8.40178123317169 1002936 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=CC3=CC=CC=C32)OCC(=O)N 1 2.412 3 4 0 -10.7935654689908 1002924 CC(C)C(=O)NC1=CC=CC(=C1)C(=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br)C 1 3.368 5 3 0 -15.611372049403 1002917 CC(=NNC(=O)C1=C(C=NN1C)Br)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 3.343 5 2 0 -9.86543621947822 1002907 C1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl 1 5.241 4 2 -4.22090191586276 1002906 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CN=CC=C4 1 4.152 4 1 -1.52428658771992 1002883 C1CN(CCN1C(=O)CC2=CC=C(C=C2)Br)C(=O)C3=CC=CO3 1 2.303 2 3 -8.06544269335658 1002870 CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)/C=C/C(=O)O 1 3.512 1 5 -6.14983970601206 1002841 CC1=NC(=NC2=C1C=CC(=C2)OC)NC3=NC(=O)C=C(N3)C4=CC=CC=C4 1 2.919 5 2 0 -4.3882727335253 1002838 CC1=CC(=NC(=N1)NC2=NC=C(N2C3=CC=C(C=C3)Br)O)C 1 2.892 5 1 -0.275461454339929 1002810 CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)C)C)C)NC(=O)/C=C/C(=O)O 1 3.82 1 5 -7.67819459767086 1002798 CC1=C(C(=C(S1)NC(=O)/C=C/C(=O)O)C(=O)OC)C2=CC=C(C=C2)C(C)C 1 3.693 1 5 -8.14974933833152 1002791 CC1=C(C=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)/C=C/C(=O)O)C)C 1 3.472 1 5 -8.13956523605514 1002659 C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)COC3=C(C=C(C=C3)Cl)Cl)F 1 5.189 1 3 -4.26638328887241 1002641 C1=CC2=C(C=CC(=C2N=C1)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Cl)Br 1 3.92 4 2 -4.65633296581321 1002629 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4)C)Br 1 4.432 4 2 -6.32649403686619 1002606 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Br 1 3.523 2 4 -7.52459951036602 1002552 C1=CC=C(C(=C1)OCC2=CC=C(O2)C(=O)NC3=NN(C=C3Br)CC4=CC=C(C=C4)Cl)Cl 1 6.504 3 3 -6.89347798307011 1002529 CC(=O)NC1=CC(=CC=C1)OC(=O)COC2=CC=C(C=C2)Br 1 2.966 1 4 -8.77026891238824 1002526 C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O 1 4.109 1 4 1.23111787874682 1002524 C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=C(C=CC=C3Cl)Cl 1 2.792 4 1 -1.89881477445588 1002503 CN1C(=CC=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N 1 4.212 5 1 -27.4793111529628 1002488 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=CC=CC=C3C(F)(F)F 1 2.689 2 3 -9.78169326077695 1002458 COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3CC3)OC 1 3.102 3 3 -16.6972473133481 1002423 CC(C)NC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N 1 4.843 3 1 -20.7550082309569 1002310 CN1CCC2=C(C1)C=C(C(=N2)SCC3=CC=CC=C3Br)C#N 1 4.261 3 0 -8.98794694750455 1002206 CC(C)C1=C2COC(CC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N)(C)C 1 3.394 4 2 -15.7437059102062 1002229 C1COCCN1CCN(CC2=CC=CC=C2F)C(=O)NC3=CC(=CC=C3)Cl 1 3.432 3 2 -0.277073036895132 1002249 CN1CCN(CC1)C2=C(C(=O)C(=C(C2=O)Cl)C3=CN=C(S3)N4CCCCC4)Cl 1 2.38 4 2 2.85283960185603 1002248 CN(C)C1=NC=C(S1)C2=C(C(=O)C(=C(C2=O)Cl)N3CCCC3)Cl 1 1.966 3 2 0 -0.202360687025463 1002243 COC1=CC(=C(C=C1)OC)CN(CCCN2CCOCC2)C(=O)NC3=CC=CC=C3 1 2.591 3 4 0 -3.65239023386438 1002240 COC1=CC(=C(C=C1)OC)CN(CCN2CCOCC2)C(=O)NC3=CC(=CC=C3)Cl 1 3.193 3 4 0 -1.7004755647736 1002238 COC1=CC(=C(C=C1)OC)CN(CCN2CCOCC2)C(=O)NC3=CC=CC=C3 1 2.529 3 4 0 -4.46616105563075 1002180 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NNC(=S)O3)OC 1 3.295 3 4 0 -14.2968494405405 1002178 COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 3.623 2 3 -9.92358828066801 1002176 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)Cl 1 2.415 2 3 -9.59347682112311 1002174 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)Cl 1 3.645 2 2 -8.02518037134752 1002166 CCNC1=NC(=NC(=N1)N2CCOCC2)OC3=CC=C(C=C3)C(=O)OC 1 1.839 5 4 0 -6.73603124564837 1002158 CCNC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 2.93 6 2 0 -10.0268523190528 1002154 CN(C)C1=NC(=NC(=N1)N2CCOCC2)SCC(=O)NC3=CC=CC=C3 1 1.459 6 2 0 -11.6959225783712 1002126 COC1=CC=C(C=C1)C2(CCCC2)C(=O)NC3=C(C=C(C=C3)OC)OC 1 4.02 1 4 -11.0441834038667 1002096 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(O2)/C=C/3\C(=C(NC3=O)C)C(=O)OC 1 1.938 2 6 0 -12.9190200467412 1002037 CCOC1=C(C(=CC(=C1)C=NNC(=S)N)Br)OCC2=CC=CC=C2C 1 4.933 3 2 -6.7381043424281 1002036 CC1=CC=C(C=C1)C(=O)N2CC3(CN(CC(C2)(C3=O)C)C(=O)C4=CC=C(C=C4)C)C 1 3.518 2 3 -6.5529994029129 1002013 C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C=NNC(=O)C3=CC=C(C=C3)Cl 1 4.681 4 4 0 -3.88076940849557 1001983 CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=NNS(=O)(=O)C3=CC=C(C=C3)C)OC 1 4.774 2 5 0 -9.21403097400699 1001966 COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=NNC(=S)N)OC 1 3.199 3 4 0 -11.3477195855555 1001961 CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC 1 4.479 3 6 0 -14.8348793317421 1001948 CC1=CC(=C(C(=C1)Cl)S(=O)(=O)NN=CC2=CC3=C(C=C2)OCO3)Cl 1 3.969 2 4 0.5041224849419 1001936 CN1C2=C(C=C(C=C2)C=NNC(=O)C3=C(C=CC(=C3)Br)OC)N(C1=O)C 1 2.69 4 3 0 -11.6731031153489 1001931 CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C=NNC(=O)N)OC 1 3.594 3 3 -5.70908571495888 1001930 CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC 1 4.614 3 5 0 -12.3444419460475 1001887 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC(=CC=C3)Br)Cl 1 3.864 2 3 -3.09605107226212 1001877 C1CCN(CC1)C(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=C(O3)Br 1 3.081 2 3 -18.5609433092727 1001864 CC1=CC=CC=C1COC2=C(C=C(C=C2Br)C=NNC(=O)N)OC 1 3.594 3 3 -7.02624624539138 1001859 C1CCN(CC1)C(=O)/C(=C/C2=CC(=CC=C2)Br)/NC(=O)C3=CC=CO3 1 3.261 2 3 -14.7208940278404 1001855 C1COCCN1C(=O)/C(=C\C=C\C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3Cl 1 3.02 2 3 -14.0126967234919 1001839 COC1=CC=C(C=C1)/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/NC(=O)C3=CC=CC=C3OC 1 3.168 2 6 0 -18.2313113313691 1001836 COC1=CC=C(C=C1)/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/NC(=O)C3=CC=CO3 1 2.58 2 6 0 -16.4961844869097 1001810 COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=NNS(=O)(=O)C3=CC=CC=C3)OC 1 3.785 2 6 0 -9.5279150312603 1001809 C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C=NNC(=O)C3=CC(=CC=C3)Cl 1 4.681 4 4 0 -3.79345969333878 1001795 C1C(CCC(C1)NC(=O)/C=C/C(=O)O)CC2CCC(CC2)NC(=O)/C=C/C(=O)O 1 2.626 2 6 0 -8.61044348901973 1001784 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=NC(=CS3)C4=C(C=C(C=C4)F)F 1 4.205 2 3 -7.72766936146885e-003 1001765 COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5)OC 1 3.096 5 3 0 -3.97728668718739 1001754 C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=C(O3)Br 1 4.138 1 3 -5.65022996496223 1001751 C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F 1 3.311 4 3 0 -4.35753152845945 1001748 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C 1 2.178 4 5 0 -13.6307828283404 1001727 C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)/C=C/C3=CC=C(C=C3)Br 1 5.031 2 1 5.43592283710591 1001722 C1=CC(=C(C(=C1)Cl)/C=C/C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)Cl 1 3.123 2 3 -11.7662859836071 1001688 CC1(CC2=C(C(C3=C(N2C)CC(CC3=O)(C)C)C4=CC(=C(C(=C4)Br)O)OC)C(=O)C1)C 1 4.289 1 4 -12.1687595892329 1001683 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=C(C=C2)OC)OC(=O)C3=CC=C(C=C3)OC 1 4.271 2 6 0 -8.63190539202414 1001674 COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=C5F)OC 1 5.179 3 3 -2.95208562359608 1001669 CC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 4.769 2 1 5.07058389162053 1001636 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3 1 3.993 3 6 0 -15.2831702191785 1001634 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl 1 5.493 2 1 -3.99024794335366 1001562 C1=CC=C2C(=C1)C=CC=C2NC3=NC(=C(S3)CC(=O)O)C4=CC=C(C=C4)F 1 4.756 2 2 2.65087161130629 1001549 CCN1C(=C(C=N1)/C=C/C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)C 1 3.199 3 5 0 -16.47078290769 1001529 CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=C(O3)COC4=C(C=C(C=C4)C)[N+](=O)[O-] 1 4.647 4 5 0 -6.91763764624884 1001528 C1COCCN1C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl 1 2.216 2 4 -12.5316838552656 1001507 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(C)(C)C 1 3.782 3 3 1.1049094920475 1001459 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NC(=O)C4=CC=C(O4)COC5=CC=CC=C5[N+](=O)[O-] 1 5.396 4 5 0 -11.2313570335789 1001442 CC1=C(SC(=N1)NC(=O)/C=C/C2=CC=C(C=C2)C(C)(C)C)C(=O)N(C)C 1 3.468 3 2 -6.60315515908784 1001423 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.003 3 3 -4.89241353172573 1001404 COC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F 1 3.799 2 2 1.58836977889384 1001395 C1COCCN1CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC=C(O4)CN5C=C(C=N5)[N+](=O)[O-] 1 2.305 7 5 0 -12.6880741542338 1001392 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(N=CC=C2)Cl)C(=O)N(C)C 1 2.171 3 4 0 -15.0745527535865 1001376 CC(=NNC(=O)C1=NN(C=C1Br)C)C2=CC(=CC=C2)NC(=O)C3=CC=NC=C3 1 2.124 6 2 0 -11.2189341621922 1001348 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br 1 3.997 4 5 0 -11.6305841373691 1001344 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O)C 1 3.875 2 3 -4.03177990744166 1001330 CN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)[N+](=O)[O-] 1 2.559 4 5 0 -8.09151279859764 1001293 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)N3CCOCC3)C)Br 1 1.814 3 3 0 -9.67885278110288 1001290 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2=C(OC=C2)C 1 2.046 2 5 0 -15.9596435348532 1001235 CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC=C(O2)Br 1 3.723 3 2 -5.77287243674078 1001224 CCN1C(=C(C=N1)/C=C/C(=O)NC2=C(N(N=C2C)CC3=C(C=C(C=C3)Cl)Cl)C)C 1 4.216 5 1 -4.18337126636662 1001222 CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)/C=C/C3=CN(N=C3)C 1 3.058 5 1 -9.15272489082786 1001208 CC1=C(C=NN1C)/C=C/C(=O)NC2=C(N(N=C2C)CC3=C(C=CC=C3Cl)Cl)C 1 3.868 5 1 -6.83435190740983 1001206 CCOC(=O)C1=C(C(=C(S1)NC(=O)/C=C/C2=C(N(N=C2)C)C)C(=O)OC(C)C)C 1 3.227 3 5 0 -18.813634218737 1001189 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)/C=C/C2=C(N(N=C2)C)C 1 2.85 3 5 0 -15.4253831720722 1001185 CC1=NN(C=C1CNC(=O)/C=C/C2=CC(=C(C=C2)OC)COC3=C(C=C(C=C3)Cl)Br)C 1 4.985 3 3 -5.12479662843659 1001183 CC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)S(=O)(=O)C 1 4.564 3 3 -4.40614607392669 1001179 CCN1C=C(C=N1)/C=C/C(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3C)C 1 3.228 5 1 -13.3741187261746 1001169 CC1=C(C=NN1C)CNC(=O)/C=C/C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br 1 4.183 3 3 -8.29053362010955 1001148 CC1=CC(=CC=C1)N(CC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)S(=O)(=O)C 1 4.564 3 3 -4.6526522735186 1001145 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C 1 2.153 3 5 0 -12.5520369631684 1001138 CC1=C(C(=NN1C)C)NC(=O)/C=C/C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br 1 4.459 3 3 -6.276654379018 1001133 CC1=NN(C=C1CNC(=O)/C=C/C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br)C 1 4.321 3 3 -8.31420939161702 1001130 COC1=C(C=C(C=C1)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C)OC 1 1.838 2 5 0 -19.6114833085221 1001121 CCN1C(=C(C(=N1)C)NC(=O)/C=C/C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br)C 1 4.808 3 3 -8.55197041891235 1001112 CC1=C(C(=NN1C)C)CNC(=O)/C=C/C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br 1 4.466 3 3 -8.01081095579957 1001096 CCOC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C3=CC=CC=C3OC)S(=O)(=O)C4=CC=C(C=C4)C 1 4.22 3 5 0 -12.3804680347464 1001085 C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4F 1 4.552 2 1 -8.22968848987011 1001074 CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Br 1 3.234 3 4 0 -18.7613601548949 1001041 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC 1 4.394 2 4 -19.7945368853692 1001029 CN1C(=C(C=N1)Br)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.21 4 3 0 -6.32181898000368 1001022 CC1=CC(=NN1C(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C)C 1 3.239 4 2 -10.0469768399049 1001017 CCOC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.981 2 4 -14.5275243881829 1001013 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C 1 1.667 4 4 0 -11.0162498296985 1001000 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)Cl 1 3.752 2 2 2.63167134123832 1000981 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)C)[N+](=O)[O-] 1 1.549 5 6 0 -6.99222614988495 1000962 CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN(C4=CC=CC=C4C)S(=O)(=O)C 1 4.564 3 3 -7.20250473904414 1000949 COC1=CC=CC(=C1)N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4 1 2.911 2 6 0 -16.7994531423407 1000930 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=C(ON=C4C5=CC=CC=C5)C 1 4.492 4 4 0 -9.083505263173 1000923 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CN=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)C 1 2.157 3 4 0 -12.7416916214977 1000894 CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)SC 1 3.259 3 3 -16.3134607319124 1000857 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)NC4=NC=CC=N4 1 4.238 4 1 -4.60415991682252 1000848 CC1=CC(=CC(=C1)N(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C 1 2.955 3 5 0 -24.2684012143653 1000819 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 2.09 4 4 0 -13.3340584601536 1000808 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CC=N2)C3=CC=C(C=C3)Cl 1 3.382 3 3 -16.6965789817954 1000778 CC1=CC=C(C=C1)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C 1 2.357 2 3 -16.0537861209887 1000772 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(C)C 1 4.111 3 4 0 -9.3981917867068 1000759 CCC1=C(SC(=C1C(=O)OC)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C 1 3.58 1 5 -11.1936243492989 1000754 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C)C)S(=O)(=O)C 1 3.125 3 5 0 -12.3632902991623 1000743 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC(=CC=C2)COCC(C(F)F)(F)F 1 3.374 1 5 -13.566213501573 1000738 CS(=O)(=O)N(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3F 1 1.959 3 3 0 -11.9008529253808 1000706 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCC5=CC=CC=C54 1 5.97 2 1 -6.87421109639329 1000693 CS(=O)(=O)N(CC(=O)N1CCC2=CC=CC=C2C1)C3=CC(=CC=C3)Br 1 2.619 2 3 -15.1186626957834 1000682 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC(=O)C 1 3.929 3 4 0 -11.2901545695824 1000675 CS(=O)(=O)N(CC(=O)N1CCC2=CC=CC=C2C1)C3=CC=CC=C3F 1 2.076 2 3 -18.7303204385249 1000668 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=CC=C3 1 3.648 2 3 -13.8505351156785 1000646 CC1=C(C=C(C=C1)N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C)C 1 1.648 4 4 0 -23.9996690455126 1000632 CS(=O)(=O)N(CC(=O)N1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)Br 1 2.619 2 3 -15.6884471755033 1000628 COC1=CC=CC(=C1)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C 1 1.854 2 4 0 -16.3656037347896 1000619 C1CN(CCN(C1)C(=O)/C=C/C2=CC=C(C=C2)F)C(=O)/C=C/C3=CC=C(C=C3)F 1 3.534 2 2 -3.35010066786331 1000612 CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2F)NC(=O)C3=CC=CC=C3F 1 4.296 2 2 -7.42740787224725 1000611 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN(C3=CC(=C(C=C3)OC)OC)S(=O)(=O)C4=CC=CC=C4 1 2.22 4 6 0 -28.5357059349655 1000608 CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC 1 3.511 4 2 -2.55373534258182 1000603 COC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)OC(F)F 1 3.189 1 5 -11.3164793926182 1000583 C1=CC=C(C(=C1)NC(=O)C2=NN3C(=CC(=NC3=C2)C(F)F)C(F)F)F 1 3.285 4 1 -10.2362929675918 1000574 CC1=C(C(=NN1CCC2=NNC(=S)N2C3=CC=C(C=C3)F)C)[N+](=O)[O-] 1 2.956 6 2 0 -6.46412069180913 1000547 COC1=CC=CC(=C1)NC(=S)NNC(=O)C2=CC=CC=C2OC(F)F 1 4.063 3 3 -7.16518123238327 1000546 CC1=CC(=NN1CC2=NNC(=S)N2C3=CC=C(C=C3)OC)C(F)(F)F 1 3.68 5 1 -6.36278669143038 1000539 CC1=CC(=NN1CC2=NNC(=S)N2C3=CC=C(C=C3)F)C(F)(F)F 1 3.902 5 0 -5.51671712288382 1000519 CC1=CC(=NN1CC2=NNC(=S)N2C3=CC=C(C=C3)Cl)C(F)(F)F 1 4.36 5 0 -4.12782179169942 1000508 CC1=CC(=C(C=C1)C)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C 1 2.843 2 3 -16.7303318363359 1000490 CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC=CC=C2OC(F)F 1 4.566 3 2 -5.29231781323271 1000467 CC1=CC(=NN1CC2=NNC(=S)N2C3=CC(=CC=C3)OC)C(F)(F)F 1 3.68 5 1 -5.81616949469461 1000466 C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC=C(C=C2)OC(F)F 1 3.808 3 2 -7.47698019705875 1000465 CCN1C(=C(C(=N1)C)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C 1 4.16 4 4 0 -7.30868042975079 1000464 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NNC(=O)CC3=CC=CC=C3 1 2.915 3 4 0 -6.41076091739867 1000451 CC1=C(C(=NN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)SC3=CC=CC=C3 1 4.369 3 3 -2.41374236277158 1000436 C1=CC=C(C(=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)F)OC(F)F 1 4.285 3 2 -6.64946578063464 1000434 CCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2OC(F)F 1 5.022 3 2 -7.32200727581615 1000431 CCC1=CC=C(C=C1)N2C(=NNC2=S)CN3C(=CC(=N3)C(F)(F)F)C 1 4.638 5 0 -6.18925861806532 1000430 CC1=CC(=NN1CC(=O)NNC(=S)NC2=CC(=CC=C2)Cl)C(F)(F)F 1 3.956 5 1 -7.57048405302748 1000375 COC1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3)OC 1 3.332 2 5 0 -17.2480293377721 1000351 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NN=CC4=CC=CC=N4 1 2.943 5 1 -3.91613354595712 1000348 CC(C)C1=CC(=C(S1)NC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)Br)C(=O)N 1 4.993 2 3 -5.54780355100775 1000341 CCN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)CN3C(=CC(=N3)C)C)[N+](=O)[O-] 1 2.597 6 3 0 -17.0018323682245 1000338 CCC1=CC=C(S1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=CN(N=C4)CC5=CC=CC=C5C 1 6.119 6 1 0 -17.9032772882685 1000305 CCN1C=C(C(=N1)C(=O)NNC(=O)CCN2C=CC(=N2)[N+](=O)[O-])Cl 1 1.146 7 4 0 -17.3293755906459 1000301 CC1=C(C(=NN1CCC(=O)NNC(=S)NC2=CC=C(C=C2)F)C)Br 1 3.406 5 1 -12.2729660326995 1000288 CC1=C(N=C(S1)NC(=S)NC(=O)C2=CC=CS2)C3=CC=C(C=C3)CC(C)C 1 5.987 3 1 -4.30978502641694 1000253 CCC1=CC=C(S1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=CN(N=C4)CC5=CC=C(C=C5)C 1 6.119 6 1 0 -16.7433248820725 1000230 CC1=C(C(=NN1CCC2=NNC(=S)N2C3CCCCC3)C)Br 1 3.886 5 0 -9.54540598771417 1000215 CCN1C=C(C(=N1)C(=O)NC2=NN(C=C2)CC3=CC=CC=C3F)[N+](=O)[O-] 1 2.914 6 3 0 -13.4141795275088 1000196 CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)OC)C(=O)N(C)C 1 2.262 4 3 0 -13.969388609515 1000186 CC1(C2=C(C3=C(N1)C=CC(=C3)OC)C(=S)N(S2)C4=CC=CC=C4)C 1 4.954 2 1 -12.1565535699568 1000185 C1=CN(N=C1NC(=O)CN2C=C(C=N2)[N+](=O)[O-])CC3=C(C(=CC(=C3F)F)F)F 1 2.605 6 3 0 -13.5007548751935 1000184 CC1(C2=C(C3=C(N1)C=CC(=C3)OC)C(=S)N(S2)C4=CC(=CC=C4)OC)C 1 4.938 2 2 -11.4719298927774 1000175 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NN=CC4=CC=C(O4)[N+](=O)[O-] 1 3.08 5 4 0 -4.95489793841712 1000166 CCN1C=C(C(=N1)C(=O)NNC(=O)CCN2C=C(C=N2)[N+](=O)[O-])Cl 1 0.607 7 4 0 -16.0361103355762 1000160 C1CC1NC(=O)CSC2=CC(=CC(=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3 1 2.925 2 5 0 -20.111988826409 1000124 CC1=C(SC=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 4.105 4 1 -4.88146810838145 1000077 CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F 1 3.422 3 4 0 -11.1804172566234 1000071 CC(=NNC(=O)C1=CC=C(O1)Br)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F 1 3.617 3 3 -9.83264673531307 1000056 COC1=C(C(=CC=C1)OC)C(=O)NNC(=O)C2=CC(=CC=C2)COC3=CC4=C(CCC4)C=C3 1 4.462 2 5 0 -9.09974766514843 1000041 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)OCCN3CCCCC3 1 2.555 4 3 0 -7.8533086622298 1000034 COC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=CC=CC=C3C=C2O)OCCN4CCCCC4 1 4.372 3 4 0 -1.5619101416302 1000028 CC1=CC(=NN1CC2=CC=C(O2)C(=O)NN=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C 1 3.917 5 5 0 -10.6795482687746 1000020 COC1=CC=C(C=C1)N(CC(=O)NC2CC2)S(=O)(=O)C3=CC=CC=C3 1 2.056 2 4 -16.8925566307712 1000013 CC1=C(SC=C1)C=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br 1 3.578 4 2 -5.15663448633244 1000009 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=COC=C4 1 4.406 3 2 -7.76915073720002 1000005 CC1=CC=CC(=C1)C(=O)NN=CC2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)OC 1 3.773 3 4 0 -13.3667285118908 999990 COC1=C(C(=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)OC(C(F)F)(F)F)OC)OC 1 4.114 2 5 0 -7.05660381438576 999982 CC1=C(C=CO1)C(=O)NN=CC2=CC(=C(C=C2)OCCN3CCCCC3)OC 1 2.955 3 4 0 -5.93190851810707 999978 CC(C)C(=NNS(=O)(=O)C1=CC=C(C=C1)Br)C2=CC=CS2 1 4.198 2 2 -6.66142284893574 999967 CC1=C(C=C(C=C1)OCC2=CC=C(O2)C(=O)NN=CC3=CC=CC=C3OC)C 1 4.679 2 4 -6.22852523682317 999964 C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=C(O3)CN4C=C(C=N4)Cl)CC(=O)N 1 2.505 7 3 0 -5.11145396328183 999961 CC1=NN(C=C1C=NNC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl)C 1 2.513 6 1 0 -7.20080041682544 999956 CC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.648 2 3 -14.2443446665669 999949 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl 1 3.743 5 1 -11.4774306249695 999948 C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C=NNC(=O)C3=CN=CC=C3 1 2.152 4 3 0 -11.3905781725232 999936 C1CCCC(=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CC1 1 4.997 3 1 -9.08538326453318 999921 COC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3Cl 1 4.371 2 4 -7.03289946778562 999911 COC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)NN=CC3=CC=CO3 1 3.629 2 4 -9.10284894100053 999910 CCCC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-])OC 1 5 3 6 0 -11.5524132834362 999906 CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 5.018 3 5 0 -5.59194922588838 999899 C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=O)C3=CC=CC=C3Br 1 2.842 2 3 -3.83248609568302 999831 COC1=C(C(=CC(=C1)C=NO)Br)OCC(=O)NCC2=CC=CC=C2 1 3.015 2 4 -8.82504630786379 999822 CC(=NNC(=O)C1=CC=C(O1)C(=O)NN=C(C)C2=CC=CO2)C3=CC=CO3 1 1.974 4 5 0 -4.68283930073266 999803 COC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC3=CC=CC=C32)S(=O)(=O)C 1 2.475 2 4 -13.5934837647599 999779 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCC2)C3=CC=CC(=C3)C 1 3.678 2 3 -13.6035784238794 999758 CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 3.215 4 2 -5.6875346972115 999721 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCOCC2)C3=CC=C(C=C3)C(C)C 1 3.157 2 4 -14.6331717804547 999700 CC(=NNC(=O)CC1=CC=C(C=C1)OC)C2=CC(=CC=C2)NC(=O)C3CC3 1 2.56 3 3 -8.27848523599388 999669 C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC=C(O2)Br 1 2.966 3 2 -10.8939789412986 999629 CCC1=CC=C(S1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=C(N(N=C4C)CC5=CC=C(C=C5)F)C 1 6.266 6 1 0 -15.3763323602426 999617 CCOC1=CC=CC=C1N(CC(=O)NC2CCCC2)S(=O)(=O)C3=CC=C(C=C3)C 1 3.804 2 4 -19.0375862607742 999614 CC1=C(C(=NN1CCC(=O)NNC(=S)NC2=CC=CC=C2)C)Br 1 3.2 5 1 -13.1414971965381 999605 CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4CC 1 5.526 4 0 -0.263592345136466 999601 CC1=CC(=C(C=C1)C)N(CC(=O)NC2CCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.957 2 3 -16.2876570048185 999569 CC1=C(C(=NN1CCC2=NNC(=S)N2C3=CC=CC=C3OC)C)Br 1 3.588 5 1 -8.69441741455135 999529 CC1=C(C(=NN1CC2=CC(=CC=C2)F)C)NC(=O)C3=CC=C(C=C3)COC4=CC=CC=C4Cl 1 5.713 3 2 -6.34080285317701 999528 COC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CC=CC3=CC=CC=C32)S(=O)(=O)C 1 2.459 2 5 0 -14.6334995798889 999515 CCN1C=C(C(=N1)C(=O)NC2=NC(=C(S2)C)C3=CC(=C(C=C3)C)C)[N+](=O)[O-] 1 3.998 5 3 0 -7.33982128209965 999502 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NN=CC4=CC=CS4 1 3.619 4 1 -6.74779633971511 999494 COC1=C(C=C(C=C1)Cl)N(CC(=O)N2CCCCC2)S(=O)(=O)C 1 1.777 2 4 0 -12.7512267590648 999488 COC1=C(C=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C)OC 1 -0.133 2 6 0 -18.183280045329 999470 COC1=C(C=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C)Cl 1 0.548 2 5 0 -16.5837072850558 999455 CCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=S)NC(=O)C3=CC=CS3)C 1 5.279 3 1 -8.42798794641974 999432 CCC1=CC=C(S1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=C(N(N=C4C)CC5=CC=CC=C5Cl)C 1 6.725 6 1 0 -15.5792002897326 999411 COC1=CC(=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C)OC 1 -0.133 2 6 0 -16.1040615337678 999401 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NN=CC4=CSC=C4 1 3.328 4 1 -6.82556952722494 999393 CC1=CC=C(O1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.206 4 2 -5.60446724317877 999392 CCOC1=CC=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)SC 1 2.351 2 5 0 -13.8907038974886 999388 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CCCC2)C3=CC=C(C=C3)OC 1 2.089 3 5 0 -19.3136915987286 999346 CCC1=CC=C(S1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 4.431 4 1 -4.96220545842383 999345 CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 1 5.318 2 1 -8.13870605252925 999332 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5 1 3.434 4 3 0 -7.1236156636935 999322 CC1=NN(C=C1C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C 1 3.666 4 4 0 -2.40768333229994 999279 CCC1=CC=C(S1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=C(N(N=C4C)CC5=CC=CC=C5C)C 1 6.547 6 1 0 -16.6936474753273 999259 CCN1C=C(C(=N1)C(=O)NC2=NC(=C(S2)C)C3=CC=C(C=C3)C)[N+](=O)[O-] 1 3.512 5 3 0 -8.61785083279323 999249 C1=CC=C(C(=C1)CN2C=CC(=N2)NC(=O)C3=CC=C(C=C3)COC4=CC=CC=C4Cl)F 1 5.824 3 2 -10.629539257673 999238 CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=CSC3=C2CCCC3 1 5.291 3 1 -9.32539277968591 999237 CC1=CN2C(=NC(=C2C(=O)NN=CC3=C(C=CC(=C3)OC)OC)C)C=C1 1 2.588 4 3 0 -4.41271603139086 999211 C1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)[N+](=O)[O-] 1 3.515 6 3 0 -14.7485840678638 999210 CC1=C(N=C(S1)NC(=S)NC(=O)C2=CC=CS2)C3=CC=C(C=C3)C(C)C 1 5.531 3 1 -7.90509011398902 999208 COC1=CC(=C(C=C1)N(CC(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC 1 2.093 4 7 0 -24.0026126159909 999170 CCN1C=C(C(=N1)C(=O)NNC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C)Cl 1 1.035 7 4 0 -14.412097045774 999143 CCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=C(C=CC(=C4)C)C 1 5.556 4 0 0.216786487126253 999141 C1=CC(=CC=C1NC(=S)NNC(=O)CN2C(=CC(=N2)C(F)F)C(F)F)F 1 3.608 5 1 -10.839778047361 999134 C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC4=NON=C43 1 2.81 4 3 0 -4.75232080875906 999124 CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=NN(C=C3)CC4=CC=CC=C4F)C)[N+](=O)[O-] 1 4.148 6 3 0 -13.5076577115903 999091 CC1=CC(=NN1CC(=O)NNC(=S)NC2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.56 6 3 0 -15.2816828198442 999067 CC1=C(C(=NN1CCC(=O)NNC(=S)NC2=CC(=CC=C2)Cl)C)[N+](=O)[O-] 1 3.011 6 3 0 -10.0317157727009 999055 COC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=CC(=N2)C(F)F)C(F)F 1 3.386 5 2 0 -11.6858476159076 999054 CC1=CC=C(C=C1)N2C(=NNC2=S)CN3C(=CC(=N3)C(F)F)C(F)F 1 4.293 5 0 -7.11781986930867 999045 CC1=C(C(=NN1CC2=CC(=CC=C2)F)C)NC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-] 1 2.599 6 3 0 -5.35858303213697 999024 CC1=C(C(=NN1CCC2=NNC(=S)N2C3=CC(=C(C=C3)F)Cl)C)[N+](=O)[O-] 1 3.62 6 2 0 -5.52947336478775 999008 CCN1C=C(C=N1)/C=C/C(=O)NC2=NN(C=C2)CC3=C(C(=CC(=C3F)F)F)F 1 3.675 5 1 -13.1613343691627 998971 CC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=CC(=N2)C(F)F)C(F)F 1 3.888 5 1 -11.2728814067634 998969 CC1=C(C(=NN1C)C(=O)NCC2=CC3=C(N2)C=CC(=C3)Cl)Br 1 3.629 4 1 3.12906783471012 998967 CC1=CC(=NN1CC2=CC=C(C=C2)NC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-])C 1 2.394 6 3 0 -12.7310448014153 998966 CCC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OCC 1 4.235 3 5 0 -17.0984306980135 998962 CCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC 1 4.567 4 1 1.3870424659539 998960 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4CC=C 1 5.338 4 0 -4.6110875347434 998957 COC1=CC=CC(=C1)N2C(=NNC2=S)CN3C(=CC(=N3)C(F)F)C(F)F 1 3.79 5 1 -6.98416888171704 998956 CC1=CC(=NN1CC(=O)NNC(=S)NC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 3.019 6 3 0 -14.1715611547227 998951 CCN1C=C(C(=N1)C(=O)NC2=C(N(N=C2C)CC3=CC(=CC=C3)F)C)[N+](=O)[O-] 1 2.803 6 3 0 -9.90725977237667 998950 CCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC(C)C 1 5.293 4 1 -1.85661180170733 998947 C1=CC(=CC(=C1)CN2C=C(C=N2)[N+](=O)[O-])C(=O)NC3=NN(C=C3)CC4=C(C(=CC(=C4F)F)F)F 1 4.337 6 3 0 -14.8537502711578 998946 CC1=CC(=CC=C1)N2C(=NNC2=S)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C 1 3.237 6 2 0 -5.48053152701579 998945 COC1=CC=CC(=C1OC)C=NNC(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 4.927 3 5 0 -14.3892683466629 998942 CCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)C)C 1 5.556 4 0 1.38736529936445 998941 CC1=C(N2C=C(C=CC2=N1)Br)C(=O)NN=CC3=CC=C(C=C3)OC 1 2.867 4 2 -1.96780554529437 998930 CC1=CC(=CC=C1)NC(=S)NNC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C 1 2.832 6 3 0 -11.081236070411 998925 CC(=O)C(=NNC1=CC=CC=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC 1 3.489 4 3 0 3.17453233859592 998916 CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CN(N=C3C)C)C 1 3.974 4 4 0 -5.56965200048862 998913 CCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4OCC 1 4.916 4 1 -4.90361136128803 998907 CCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC 1 4.916 4 1 0.506239099488678 998901 CN1C=C(C(=N1)C(=O)NC2=NN(C=C2)CC3=C(C(=CC(=C3F)F)F)F)[N+](=O)[O-] 1 3.182 6 3 0 -11.1711970066248 998900 C1CC2=C(C(=O)OC3=C2C=C(C=C3)O)N(C1)C(=O)CN4CCN(CC4)C5=NC=CC=N5 1 0.937 5 4 0 -6.74890871767881 998884 C1CCN(CC1)CC(=O)N2CCCC3=C2C(=O)OC4=C3C=C(C=C4)OCC5=CC=CC=C5 1 3.911 2 4 -12.3231163264653 998883 C1CC(=C2C(=O)N(CC(=O)N2C1)CCC3=CC=CC=C3)C4=CC(=O)C=CC4=O 1 1.642 2 4 0 -11.700143424766 998879 CC1=C(C=C(C=C1)C2=C(SC(=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C)C)C 1 3.649 5 3 0 -5.49786521547607 998878 CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=CC=C(O2)Br 1 4.209 3 2 -8.43471983429588 998877 CC1=CC(=NC2=C1C3=C(S2)C(=O)N(N=N3)CC4=CC=CC=C4Cl)C 1 5.05 4 1 -11.1302831494229 998875 CCOC(=O)C1=CC(=NN1C)C(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 3.524 3 3 -10.9121800502323 998871 CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=NN(C=C2)CC3=CC=CC=C3F)C 1 2.711 6 3 0 -9.80106579873862 998857 CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C(=N2)C)CC3=CC=C(C=C3)Cl 1 3.586 2 3 -7.33012277656941 998852 CCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4OC 1 4.567 4 1 -4.08850628651361 998837 CCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=C(C=CC(=C4)OC)OC 1 4.551 4 2 -3.39400397169065 998824 CC1=NN(C(=C1Br)C(=O)NC2=CC=CC(=C2)CN3CCOCC3)C 1 2.348 4 2 -3.56457325016723 998816 C1=CC(=CC=C1NC(=S)NNC(=O)CN2C(=CC(=N2)C(F)F)C(F)F)Cl 1 4.067 5 1 -9.4508827161766 998812 CCOC(=O)C1=C(SC2=C1N(C3=C(S2)C=CC(=C3)Cl)C(=O)CN4CCOCC4)C 1 3.515 2 4 -4.04770961059993 998799 CC1=C(C(=NN1CCC2=NNC(=S)N2C3=CC(=CC=C3)Cl)C)[N+](=O)[O-] 1 3.415 6 2 0 -3.22969719375845 998792 CCOC1=C(C=C(C=C1)CC(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)N)OCC 1 3.947 2 4 -15.2747745907724 998791 CC1=C(C=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OC(F)F)Cl)Cl 1 6.987 2 1 -3.15386302901573 998782 CC1=C(C(=NN1CCC(=O)NNC(=S)NC2=CC=C(C=C2)F)C)[N+](=O)[O-] 1 2.552 6 3 0 -12.0687080039411 998772 CCOC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)OC)S(=O)(=O)C 1 1.771 2 6 0 -20.0078096782359 998758 CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=NN(C=C3)CC4=C(C(=CC(=C4F)F)F)F)C)[N+](=O)[O-] 1 4.765 6 3 0 -12.3031045026539 998756 C1=CC2=NON=C2C(=C1)S(=O)(=O)NC3=CC=C(C=C3)Br 1 2.635 3 3 -1.44286372494336 998718 CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=NN(C=C2)CC3=C(C(=CC(=C3F)F)F)F)C 1 3.327 6 3 0 -8.55406891210544 998717 CCOC1=CC=CC=C1N(CC(=O)NC2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)C 1 4.26 2 4 -19.3920547749423 998706 CC1=C(C(=NN1CCC(=O)NNC(=S)NC2=CC=C(C=C2)Cl)C)[N+](=O)[O-] 1 3.011 6 3 0 -10.9585863388195 998694 CC1=CC(=NN1CC2=CC=C(C=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C)C 1 2.249 6 3 0 -15.1598763016009 998691 CC1=C(C(=NN1CC2=CC(=CC=C2)F)C)NC(=O)C3=C(C=NN3C)Cl 1 3.087 5 1 -4.90689882977281 998685 CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C)C 1 3.163 5 3 0 -6.77589476616964 998659 CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=NN(C=C3)CC4=CC=CC=C4)C)[N+](=O)[O-] 1 3.943 6 3 0 -13.3803491262585 998658 COC1=CC=CC(=C1)NC(=S)NNC(=O)CN2C(=CC(=N2)C(F)F)C(F)F 1 3.386 5 2 0 -11.4689801254415 998654 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)COC4=CC=C(C=C4)[N+](=O)[O-] 1 3.791 3 6 0 -5.03571057190715 998650 CCOC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)CN4CCCCC4 1 5.504 2 3 -3.56995271977808 998645 CC1=C(C=CC(=C1)Cl)N(CC(=O)NCC2=CC=CC=C2)S(=O)(=O)C 1 2.74 2 3 -14.608561341839 998614 CC1=C(C(=NN1CCC2=NNC(=S)N2C3=CC=C(C=C3)Cl)C)[N+](=O)[O-] 1 3.415 6 2 0 -5.35399902668756 998556 C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC=CC=C2OC(F)F 1 3.808 3 2 -10.4844430882781 998528 CC1=CC=C(C=C1)N2C(=NNC2=S)CN3C(=CC(=N3)C(F)(F)F)C 1 4.182 5 0 -6.13811707662004 998527 CC1=CC(=NN1CC(=O)NNC(=S)NC2=CC=C(C=C2)Cl)C(F)(F)F 1 3.956 5 1 -8.35751671492446 998516 C1=CC(=CC(=C1)OC(F)F)C(=O)NC2=CC(=C(C=C2)OC(F)F)Cl 1 4.89 1 3 -3.91308780667053 998503 CC1=C(C(=NN1CCC2=NNC(=S)N2C3=CC(=CC=C3)OC)C)[N+](=O)[O-] 1 2.734 6 3 0 -6.90250882546111 998491 CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2OC(F)F 1 4.566 3 2 -7.08256914003706 998489 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C)[N+](=O)[O-] 1 2.886 5 5 0 -4.04928698329337 998488 COC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)CN4CCCCC4 1 5.156 2 3 -2.9472339726015 998481 CC1=CC(=NN1CC2=NNC(=S)N2C3=CC(=CC=C3)Cl)C(F)(F)F 1 4.36 5 0 -2.14335786299195 998449 COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2OC(F)F 1 4.063 3 3 -7.42449240054615 998440 CC1=CC(=NN1CC2=NNC(=S)N2CC3=CC=CC=C3)C(F)(F)F 1 3.703 5 0 -4.89091576070325 998427 CC1=C(SC2=C1C(=O)N(C(=N2)C)NC(=O)C3=CC=C(O3)COC4=C(C=CC(=C4)Cl)Cl)C 1 4.656 3 4 0 -12.5748041644118 998418 CC1=CC(=NN1CC(=O)NNC(=S)NC2=CC=C(C=C2)F)C(F)(F)F 1 3.497 5 1 -9.74641204610887 998417 C1=CC=C(C(=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)Cl)OC(F)F 1 4.744 3 2 -5.26057044945024 998415 C1=CC=C(C(=C1)C(=O)NNC(=S)NC2=CC(=CC=C2)Cl)OC(F)F 1 4.744 3 2 -4.4310941098564 998410 C1C(=NNC1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NN=CC4=CC=C(C=C4)C(=O)O 1 3.279 4 3 0 -9.41387677256637 998377 CCOC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C 1 2.273 2 5 0 -23.189924773076 998375 CC1=CC(=NN1CC(=O)NNC(=S)NC2=CC(=CC=C2)OC)C(F)(F)F 1 3.275 5 2 0 -10.3756141241894 998366 CCN1C(=C(C(=N1)C)C(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-])C 1 4.468 4 4 0 -10.4706490979395 998304 CC1=C(C=CO1)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C(F)(F)F 1 2.121 3 3 -7.85881588942425 998283 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3CCN(CC3)C(=O)C4=C(ON=C4C5=CC=CC=C5)C 1 3.743 4 4 0 -14.7403475902635 998239 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=C(C=NN2C)Cl 1 3.752 5 3 0 -10.410870709946 998226 CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC(C)C)[N+](=O)[O-])N 1 4.068 2 4 -9.7303244208724 998213 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CN3C(=CC(=N3)C(F)F)C(F)F 1 2.579 4 3 0 -11.4163782645276 998211 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=NN3C=C(C=NC3=C2)CCCl 1 3.179 4 1 -5.6489332275886 998204 COC1=C(C=C(C=C1)C(=O)NN)COC2=CC=C(C=C2)Br 1 2.639 2 3 -5.6168248811464 998168 CC(C)(C(=O)NNC(=O)C1=CC=C(O1)Br)OC2=CC=C(C=C2)Cl 1 3.13 2 4 -4.97875358421286 998162 CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)NS(=O)(=O)C 1 1.343 3 5 0 -12.8865683635767 998157 CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C3=NON=C23)N4CCOCC4)[N+](=O)[O-] 1 2.415 5 5 0 -11.2269839239031 998153 CC1=CC(=CC(=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C)C 1 2.761 2 3 -11.8810567738743 998138 COC(=O)C1=C(C=CS1)NC(=O)/C=C/C2=C(C=CC=C2Cl)Cl 1 4.22 1 3 -8.54425852398088 998067 CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC 1 3.238 2 3 -6.72406953885242 998055 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C 1 2.896 4 3 0 -11.3439898898513 998046 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)OC)OC)C 1 2.377 4 5 0 -14.116504622891 998002 C1=CC(=CC=C1NC(=O)C(F)(F)F)S(=O)(=O)NC2=NC=CS2 1 1.523 3 3 0 -8.8382279282903 998001 CC1=CC2=NC(=C(N2C=C1)C(=O)NNC(=O)NC3=CC=C(C=C3)Cl)C 1 2.381 5 2 0 -4.79339540738593 997988 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(O3)Br 1 1.67 3 3 0 -15.6855137889932 997786 CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NNC(=O)C2=CC=NC=C2)C(C)C 1 4.006 3 3 -5.00535567005274 997681 C1=CC2=C(C=C1Cl)SC(=N2)NC(=O)C3=CC=C(O3)Br 1 3.867 2 2 9.16043717717359e-002 997674 C1CN(CCN1C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N 1 3.382 4 2 -12.6929083384132 997501 CC1=CC=CC=C1NC(=O)CN(C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.507 3 7 0 -20.5439461394211 997503 CC1=CC(=C(C=C1)NC(=O)CN(C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C 1 3.994 3 7 0 -20.7130193676171 997622 CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4 1 4.94 3 1 -4.24038452213266 997602 CC(=O)C1=CC=C(C=C1)NC(=O)C2=NN3C(=C2)N=C4CCCCC4=C3C(F)(F)F 1 3.947 4 2 -13.520646089927 997555 COC1=CC(=C(C=C1)N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC 1 2.092 2 8 0 -17.1235746240108 997553 CC1=CC(=CC(=C1)NC(=O)CN(C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C 1 3.994 3 7 0 -18.3394422694681 997551 CC1=CC(=C(C=C1)C)NC(=O)CN(C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.994 3 7 0 -19.7293199543331 997550 CC1=C(C(=NN1CC(=O)NCC2=CC=C(C=C2)N3C=CC=N3)C)[N+](=O)[O-] 1 1.672 6 3 0 -11.5920018564903 997548 CCC1=CC=CC=C1NC(=O)CN(C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.964 3 7 0 -20.0995550369526 997540 C1=CC=C(C(=C1)CN2C=CC(=N2)NC(=O)C3=CC=C(O3)COC4=C(C=CC(=C4)Cl)Cl)F 1 5.961 3 3 -9.70949319829989 997490 CCOC(=O)C1=CC(=NN1C)C(=O)NC2=C(C3=C(S2)CCCC3)C#N 1 3.237 4 3 0 -22.8132501260257 997482 CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC 1 2.66 4 6 0 -10.9034497974311 997475 C1CCC2=C(C1)C3=C(C=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])OC2=O 1 4.794 1 5 -10.1259752260943 997451 CC1=CC(=NN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)COC4=CC=CC=C4Br)C 1 5.591 3 2 -12.8638654039521 997446 CC1=CC2=C(S1)N=C(N(C2=O)NC(=O)C3=CC=C(O3)COC4=CC=C(C=C4)F)C 1 3.046 3 4 0 -8.52664279389894 997438 C1=CC=C(C(=C1)CN2C=CC(=N2)NC(=O)C3=CC=C(C=C3)COC4=CC=C(C=C4)Br)F 1 5.908 3 2 -9.48049669554112 997434 C1=CC(=CC=C1CN2C=C(C=N2)Br)NC(=O)CN3C=C(C=N3)[N+](=O)[O-] 1 1.992 6 3 0 -11.6082979985439 997427 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.569 3 4 0 -12.460341863273 997372 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.403 2 5 0 -20.7547046398813 997367 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 1.454 2 4 0 -21.7127014933175 997353 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C)C 1 3.168 2 4 -13.8866155516667 997311 C1=CN(N=C1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)COC4=CC=C(C=C4)Br 1 5.163 3 2 -9.83342164161955 997270 CCN1C(=NN=C1SCC(=O)NNC(=O)CC2=CC=CC=C2)C3=CC=CC=C3 1 2.685 5 2 0 -13.5171182740665 997264 CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NNC(=O)CC3=CC=CC=C3)C#N 1 3.39 4 2 -11.6270753612018 997253 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 2.158 6 2 0 -14.3935932830913 997241 CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2Br)C)C(=O)OC(C)C 1 3.604 3 5 0 -12.7103868642954 997220 CCC1=NOC(=C1C(=O)NC2=NC(=C(S2)C)C3=C(C=C(C=C3)Cl)Cl)C 1 4.582 3 2 -10.3372560586885 997217 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NNC(=O)CC3=CC=CC=C3)CC4=CC=CC=C4 1 4.434 5 2 0 -16.7067026768567 997200 CC1=C(SC2=C1C(=O)N(C(=N2)C)N=CC3=CC(=C(C=C3)OC)OC)C 1 3.065 3 3 -11.3973178384111 997178 CC(C)C1=CC(=C(S1)NC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)Cl)C(=O)N 1 4.909 2 3 -4.09114380590631 997166 CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F 1 5.145 3 1 -2.42066112983957 997165 CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4OC 1 4.924 3 2 -5.82817519252727 997139 C1=CC=C(C(=C1)CN2C=CC(=N2)NC(=O)C3=CC=C(C=C3)COC4=CC(=CC=C4)Br)F 1 5.908 3 2 -9.20042176964791 997125 CC(=O)C1=CC=C(C=C1)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4CC4 1 2.55 4 2 -14.9057235676543 997073 C1=CC(=CC(=C1)Br)OCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CN4C=CC=N4 1 5.163 3 2 -9.55334671572634 997053 CC1=C(C(=NN1C)C2=NNC(=S)N2CC3=CC=CO3)Br 1 2.839 5 1 -2.46212821677886 997045 C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CN4C=CC=N4)Br 1 5.163 3 2 -10.1558021901056 997043 C1=CC=C(C(=C1)CN2C=CC(=N2)NC(=O)C3=CC=C(O3)COC4=C(C=C(C=C4)Cl)Cl)F 1 5.961 3 3 -8.88068532284238 996925 CC1=NN(C(=C1Cl)C(=O)NNC(=S)NC2=CC=CC=C2OC)C 1 3.146 5 2 0 -8.37314109036854 996839 CC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 6.385 3 1 -6.95804635416572 996799 COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 5.754 3 3 -11.6936365421205 996760 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C(=CC(=N2)C(F)F)C(F)F 1 3.365 3 3 -17.202947587002 996712 CC1=C(C(=NN1C)C(=O)NNC(=S)NC2=CC=CC=C2OC)Cl 1 3.146 5 2 0 -7.27638070438779 996679 CC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 6.385 3 1 -10.337125710284 996677 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=CC=N4 1 5.287 4 1 -7.60023041046485 996619 COC1=CC(=C(C=C1)C=NNC(=O)CC2=CSC(=N2)NC3=CC=CC(=C3)C(F)(F)F)OC 1 3.966 4 3 0 3.66024452268417 996618 CC1=C(C=CC(=C1)C=NNC(=O)CC2=CSC(=N2)NC3=CC=CC(=C3)C(F)(F)F)OC 1 4.468 4 2 3.57032219876954 996575 COC(=O)C1=CC(=C(C=C1)Cl)C2=CC=C(O2)C=NNC(=O)NC3=CC=CC=C3 1 4.316 3 4 0 -4.29105954820428 996569 CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)C=NNC(=O)COC3=C(C(=CC(=N3)C)COC)C#N)C 1 4.012 5 3 0 -12.4388599229718 996522 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35 1 4.818 2 2 -1.01091653972123 996494 CC1=CC(=NO1)C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)F)C(=O)N 1 2.3 3 3 -11.59720446812 996348 CCN1C=C(C=N1)C(=O)NC(=S)NC2=CC=CC=C2Br 1 3.513 4 1 -13.9976949879092 996225 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NNC(=O)COC3=CC=C(C=C3)F 1 1.942 2 5 0 -13.4181231104277 996186 CC1=CC(=CC=C1)OCC(=O)NNC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.223 2 5 0 -13.1355515732789 996076 CC1=CC(NC2=C1C=C(C=C2)OC(=O)CN3C(=O)C4=CC=CC=C4C3=O)(C)C 1 3.205 2 4 -11.4971634434925 996071 CC1=CC=CC2=C1N(C(C3=C2C(=S)SS3)(C)C)C(=O)CN4C(=O)C5=CC=CC=C5C4=O 1 4.309 2 3 -22.1541040377184 996065 CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CN4C(=O)C5=CC=CC=C5C4=O 1 4.309 2 3 -22.8949845225294 996059 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CN4C(=O)C5=CC=CC=C5C4=O 1 3.882 2 3 -6.62555048754287 996010 CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=CC=CC=C2Br)C 1 4.402 4 1 -7.35549023693972 996008 COC1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=C(C=C(C=C3)Cl)Cl)C(=O)N 1 4.234 2 3 -2.42022571155518 995996 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=C(C=C5)OC 1 2.793 6 3 0 -18.1990108784383 995981 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NN4CCCCC4 1 3.257 5 1 -8.28523426130128 995916 CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)N(C)C4=CC=CC=C4C(=O)O 1 6.592 3 4 0 -12.0025485545299 995895 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3=CC=CC=C3OC 1 4.161 3 3 -12.4643894076884 995873 CCN1C=C(C(=N1)C)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4OC 1 4.019 4 2 -14.9958587746364 995842 CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)Br 1 5.5 2 2 -4.83054758800391 995839 CC1=C(C=C(C=C1)OC2=NC(=NC(=C2)C)SCC(=O)C3=CC=CC=C3)Cl 1 5.902 2 2 -5.73307332910117 995838 CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)Cl 1 5.416 2 2 -3.37388784290247 995672 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=CC=CC=C2)OC 1 2.83 1 5 -14.5222896506147 995662 CCN1C(=C(C=N1)Br)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC 1 3.275 3 3 -13.4048184143151 995585 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=CC=C(C=C5)OC 1 4.674 5 4 0 -8.84219978883364 995523 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=CC=CC=C5C 1 5.176 5 3 0 -10.419103162218 995502 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CSC4=CC=CC=C43 1 4.707 2 1 -1.31988881550415 995487 C1CC2=C(C1)C=C(C=C2)OCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4Cl 1 5.903 1 2 -6.20174976961653 995436 CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCN(CC4)C5=CC=CC(=C5C)C 1 5.433 5 1 -1.16268833952006 995432 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5 1 5.042 6 1 0 -9.63252744704984 995405 C1CCN(CC1)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=CC=C4 1 2.771 5 1 -8.75975067761648 995384 CCC1=NC=CN1C(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=CC=C4 1 3.401 5 1 -5.95692517834737 995380 C1COCCN1NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=CC=C4 1 1.541 5 2 0 -10.5797807470857 995289 CC1=C(C(=NN1CC2=C(C=CC=C2Cl)Cl)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 6.422 3 1 -2.34668154995593 995292 CC1=C(C(=NN1CC2=CC(=C(C=C2)Cl)Cl)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 6.422 3 1 -0.530060464387189 995302 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=C(C=C(C=C3Br)F)F 1 3.45 5 1 -5.25159808191562 995281 CC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4 1 5.318 2 1 -12.1404223661413 995260 CCC1=CC=C(S1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)C 1 5.593 1 2 2.61087575953667 995142 CC1=CC(=C(C=C1)NC(=O)CN2C(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C 1 4.949 4 1 -7.3343706060499 995141 CC1=CC(=C(C=C1)C)NC(=O)CN2C(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.949 4 1 -6.35067119276591 995138 CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C 1 5.436 4 1 -5.79714505224447 995089 CCN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC)Br 1 4.62 3 3 -17.7426983192608 995088 CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=C(N(N=C4)C)C 1 4.784 4 1 -3.80070601586766 995083 CC1=NN(C=C1CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC)C 1 3.654 4 3 0 -11.2618596176003 995077 CN1C=C(C=N1)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4 1 4.153 4 1 -4.76580614393374 994955 CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=O)NC4=CC=CC=C4 1 5.313 4 2 -4.18342084067464 994926 C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)COC3=C(C=CC(=C3)Cl)Cl 1 5.517 1 2 -7.64585614154341 994876 CC1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Cl)C)C 1 4.386 3 2 -5.59983129552877 994873 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=NN=C(S3)C4=CC=CC=C4 1 4.43 4 2 -15.1005925647475 994839 CCCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC=NN3C)C 1 4.283 4 1 -13.7586502527029 994824 CC1=C(C(=C(S1)NC(=O)C2=CC=NN2C)C#N)C3=CC=C(C=C3)OC 1 2.868 4 2 -15.3272272513795 994803 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4Br 1 5.225 4 3 0 -14.1058812156976 994755 CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC5=CC=CC=C54 1 5.851 4 2 -14.8858993397787 994733 CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 6.422 3 1 0.711510363710962 994631 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)COC3=CC4=C(CCC4)C=C3)C 1 6.211 1 2 -9.10459304224338 994540 CCN1C=C(C(=N1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br 1 3.797 4 3 0 -11.9894984535748 994244 CCOC1=CC2=C(C=C1)NC(C3=C2C(=S)N(S3)C4=CC(=C(C=C4)OC)OC)(C)C 1 5.27 2 3 -16.0246261508382 994221 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 1.377 3 5 0 -18.866616436185 994072 CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2C(=O)OC)Br 1 2.645 3 3 -13.0786358072567 994070 CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=NN4C(=C5CCC6=CC=CC=C6C5=NC4=C3Cl)C(F)(F)F 1 7.157 6 1 0 -11.1666557848568 994069 CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Cl)C 1 3.685 6 3 0 -12.7570098470564 993965 C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br)F 1 3.801 3 1 -8.4466334490509 993962 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NN4C(=C3)N=C5C(=C4C(F)(F)F)CCC6=CC=CC=C65 1 6.493 6 1 0 -12.0089950657726 993943 CC1=C(C(=NN1CC2=C(C=CC=C2Cl)Cl)C)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Cl)C 1 4.349 6 3 0 -13.1702806605618 993939 CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=NN4C(=C3)N=C5C(=C4C(F)(F)F)CCC6=CC=CC=C65 1 6.493 6 1 0 -13.337360468981 993878 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl 1 2.632 4 2 -11.331193117584 993787 CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Cl)C 1 3.021 6 3 0 -12.98593118023 993737 CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Cl)C 1 3.685 6 3 0 -11.165246586382 993519 CCOC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3CCC4=CC=CC=C4)C 1 2.25 6 2 0 -6.7403970629287 993512 COC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3CCC4=CC=CC=C4 1 3.705 5 2 0 -12.7954989955508 993511 CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC=NC3=C2C=NN3CCC4=CC=CC=C4 1 4.872 5 1 -11.2239879977979 993510 C1=CC=C(C=C1)CCN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)F 1 3.927 5 1 -11.6706557609414 993509 C1=CC=C(C=C1)CCN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F 1 4.664 5 1 -8.11411442330671 993508 C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=NC(=O)C5=CC=CC=C5N4 1 2.099 6 2 0 -7.21698548534278 993507 CC1=CC2=C(C=C1)N=C(N2)SCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5 1 2.983 6 1 0 -2.35683588111569 993506 C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=NC5=CC=CC=C5N4 1 2.497 6 1 0 -3.81132363093716 993475 COC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CSCC2=CC=CC=C2)C(=O)O 1 2.538 1 5 -19.7024084548644 993474 C1=CC=C(C=C1)CSC[C@@H](C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.76 1 4 -18.577565220255 993470 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 2.836 3 5 0 -11.3385014086626 993469 COC1=CC=C(C=C1)N(C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=CS3 1 3.137 1 5 -7.04390628198795 993468 CC1=CC=CC=C1C(=O)N(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CS3 1 4.228 1 4 -7.39670920109919 993467 COC1=CC=C(C=C1)C(=O)N(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CS3 1 3.725 1 5 -8.4615856779576 993466 CC1=CC=C(C=C1)C(=O)N(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CS3 1 4.228 1 4 -7.63526673574005 993465 COC1=CC=C(C=C1)N(C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3 1 3.742 1 4 -8.52830852977418 993464 CC(C)C(=O)N(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 4.329 1 4 -3.31664725931695 993463 COC1=CC=C(C=C1)N(C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.556 1 5 -4.028386506111 993462 COC1=CC=C(C=C1)N(C(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.01 2 4 -5.53185902303759 993457 CC1=C(SC(=C1CN2CCOCC2)NC(=O)C3=CC=C(C=C3)OC)C 1 2.777 2 3 -7.46236829895399 993444 COC1=CC=C(C=C1)N(C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=CC=C3 1 3.35 1 5 -5.73366739733719 993439 CC(=O)N(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.477 2 4 -7.46842015938473 993438 CC(C)C(=O)N(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 3.607 2 4 -6.67843042708103 993437 COC1=CC=C(C=C1)N(C(=O)C2CCCCC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 4.604 2 4 -5.89651435625813 993406 C1CN(CCN1C2=C(C(=O)NN=C2)Cl)C(C3=CC=CC=C3)C4=CC=CC=C4 1 2.987 4 1 -11.4066244552737 993397 CC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OC2=CC(=CC=C2)Br 1 4.201 1 2 0.363607336901201 993396 C1=CC(=CC(=C1)NC(=O)CSC2=NC=NC3=C2C=NN3CCO)C(F)(F)F 1 2.22 5 2 0 -6.53191962340069 993393 CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC=NC3=C2C=NN3CCO 1 2.428 5 2 0 -9.64179319789185 993392 CCNS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C)C 1 2.55 2 4 -5.63173413811283 993382 CC(C)C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC=C)CC=C 1 3.055 3 3 -18.1146433483846 993374 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CN=C2)Br 1 1.472 3 3 0 -9.94963561351905 993371 C1COCCN1C2=CC(=NC=N2)NC(=O)NC3(OC4=CC=CC=C4O3)C(F)(F)F 1 3.473 5 4 0 -2.23887823349462 993369 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC(=O)C3=CC=C(C=C3)Cl 1 3.301 3 3 -0.292352103497167 993367 C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 3.295 3 3 -14.3948550570852 993364 CCOC(=O)N1CCN(CC1)C2=NC(=NC3=C(C=C(C=C32)C)C)C(F)(F)F 1 3.694 4 2 -1.02763627541884 993362 CC1=CC(=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CCN(CC3)C(=O)C4=CC=CO4)C 1 3.762 4 2 -1.3123066454609 993360 CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2CCNC(=O)C(C)C 1 4.368 3 2 -11.6343225303477 993358 CC1=CC=CC=C1OCCN2C3=CC=CC=C3N=C2CCNC(=O)C(C)C 1 4.368 3 2 -11.4643172439342 993357 CC(C)C(=O)NCCC1=NC2=CC=CC=C2N1CCOC3=CC=CC=C3 1 3.881 3 2 -12.2909695393289 993328 COC1=CC=C(C=C1)NC2=C(N=C(O2)COC3=CC=C(C=C3)OC)C#N 1 3.436 3 4 0 -5.28055272898785 993327 COC1=CC=C(C=C1)NC2=C(N=C(O2)COC3=CC=CC=C3OC)C#N 1 3.436 3 4 0 -8.05894328542426 993322 CC1=CC(=NO1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC 1 4.19 4 3 0 -14.3745775924232 993318 COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CS3)C(F)(F)F 1 4.798 3 2 -11.7745399610614 993301 C1=CSC(=C1)CNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F 1 5.02 3 1 -10.9284703925149 993296 CC(C)OC(=O)CSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)F 1 5.07 2 2 -5.89913515954595 993268 C1=CC=C(C=C1)CNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3 1 5.028 3 1 -12.5917773081054 993248 C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4 1 4.75 3 2 -8.55281174671175 993239 COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CS3)C(F)(F)F)OC 1 4.782 3 3 -15.050688423474 993149 CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC=C2OC)OC 1 2.621 1 6 0 -10.5044449041826 993137 CC1=C(SC(=N1)NC(=O)COC2=CC=C(C=C2)Br)C(=O)C 1 2.509 2 3 -7.9708142548387 993058 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3C(C)(C)C 1 3.476 3 5 0 -16.1274814657679 993001 COC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)O 1 3.148 2 4 -1.81368511778717 992968 CN1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CC=CS4)Cl 1 4.097 3 2 0.313104216310762 992929 C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NC=C(S3)CC4=CC=CC=C4Cl 1 3.942 6 1 0 -23.2179069014981 992794 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=NNC(=O)C3=C(N=C4N3C=CC=C4)C 1 3.966 5 1 -3.34483713168519 992802 COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)OC 1 1.497 2 6 0 -12.3019784872077 992804 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2)Br 1 1.906 2 3 0 -4.70979078719615 992811 CCOC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4 1 2.297 3 7 0 -31.6134865524026 992765 C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3=C(C(=CC=C3)Cl)Cl 1 3.169 3 2 -7.42809377255781 992762 CC1=CC(=C(C(=C1C)OCC(=O)NCC2=C(C=CC(=C2)NC(=O)C)OC)C)C 1 3.505 2 4 -14.0791035816288 992755 CC1=C(C(=NN1C)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C 1 2.035 6 1 0 -14.3878421165403 992754 CC1=CC(=C(C=C1)NC(=O)COC2=CC=CC3=C2N=C(C=C3)C)Br 1 4.153 2 2 -9.18041781761421 992744 CC1=CN=C(C=C1)NC(=O)C2=CC=CC=C2OCC(=O)NC3=C(C(=CC=C3)Cl)C 1 4.26 3 3 -9.45674134912021 992727 CC1=CC(=CC(=C1OCC(=O)NC2=CC=C(C=C2)NC(=O)C)C)SC 1 3.084 2 3 -7.75873880520584 992726 COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 4.083 1 4 -6.82143917510164 992725 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=CS3 1 3.923 1 5 -10.6304746346757 992724 CC(C)(C)NC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 2.424 2 5 0 -19.5429081546113 992715 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)N3CCCCC3 1 0.342 4 3 0 -13.2137845614555 992712 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3F 1 3.433 2 3 -13.3647497790242 992707 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)N=C(S4)SC 1 2.577 4 3 0 -15.1008126375021 992704 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=N3)Cl 1 3.938 3 2 -7.83022765241764 992692 C1CN(CCN1C2=NC(=CS2)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4 1 2.798 3 2 1.64061336227698 992688 CC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=C(C(=C3)OC)OC)OC 1 3.82 4 3 0 -17.8935123094928 992681 CCCC1=CC2=C(C=C1NC(=O)C3=CC=C(C=C3)Br)OCO2 1 4.529 1 3 -2.90041324562368 992680 C1=CC=C(C(=C1)C(=O)NC2=CC=CC=N2)NC(=O)C3=CC(=C(C=C3Cl)F)F 1 3.863 3 2 -5.16613150909856 992670 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=O)C3=CC4=C(C=C3)OCO4 1 1.681 3 4 0 -12.3141312045332 992663 CCOC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC=C2C)C 1 3.409 2 4 -10.1039541977792 992642 CC(=O)NC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 3.58 4 1 4.27927234753049 992628 CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)O)C 1 4.447 2 3 0.274150969070523 992625 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)Cl 1 3.665 5 4 0 -3.57617421385365 992604 CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CS4)C(=O)OC 1 3.317 1 5 -13.1909732685039 992591 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCC(=O)O 1 3.979 1 5 -10.080555537438 992589 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCC(=O)O 1 3.339 1 6 0 -10.8993936327108 992588 CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCC(=O)O 1 3.949 1 5 -9.9596424076377 992586 C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br 1 3.755 1 5 -9.35486532637324 992572 CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C4=CC=NC=C4)C 1 4.584 2 6 0 -17.3631407817057 992550 COC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC4=C3CCCC4)C(=O)C5=CC=NC=C5 1 4.491 2 5 0 -13.2601189007761 992534 C1CCC2=C(C1)C3=C(O2)C=CC(=C3)N(C(=O)C4=CC=NC=C4)S(=O)(=O)C5=CC=C(C=C5)F 1 4.713 2 4 -12.1352756661667 992531 CC1=CC(=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C4=CC=NC=C4)C 1 4.098 2 6 0 -17.345208776361 992523 CC1=CC(=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC=NC=C3)C(=O)C4=CC=NC=C4)C 1 4.075 3 5 0 -10.7656941493455 992522 CC1=CC(=C(C=C1)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC=NC=C4)C(=O)C5=CC=NC=C5)C 1 4.983 3 5 0 -12.037902674321 992521 CC1=CC(=C(C=C1)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C)C(=O)C)C 1 3.956 1 5 -5.06927012784118 992371 CC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4 1 4.524 0 5 -10.4122664348395 992358 CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCCC3=CC(=C(C=C3)OC)OC)C(=O)OC 1 3.756 2 6 0 -8.94993712113816 992356 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=NC4=C(C3=O)C5=C(S4)CCCC5 1 4.136 3 4 0 -29.4732695814786 992317 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N(C)CC(=O)O 1 2.681 1 6 0 -14.118320511635 992304 CC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)NC2=CC=C(C=C2)OC 1 2.313 1 5 -7.36405346783745 992303 CC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)NC2=CC(=CC=C2)Cl 1 2.994 1 4 -4.36226955617736 992296 CC1=CC(=NO1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O 1 1.87 3 6 0 -18.39393402465 992292 CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)Cl 1 4.867 1 3 -15.8999706731306 992291 CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)Cl 1 4.867 1 3 -11.6067612723206 992290 CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)Cl 1 4.867 1 3 -13.2571746949034 992289 CN(CC(=O)NC1=C(N=CC=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.97 3 3 0 -9.02645647236135 992285 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC2=CC=C(C=C2)OC)Cl 1 2.289 2 5 0 -2.81427703989594 992284 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)N)C)Cl 1 2.791 2 4 -2.66065037372065 992283 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)N)C)Cl 1 2.791 2 4 -0.933056374581019 992281 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NCC2=CN=CC=C2)Cl 1 1.162 3 4 0 -6.24532130937663 992280 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC2=CC(=CC=C2)O)Cl 1 2.063 2 5 0 -0.10064249909471 992277 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC2=CC=CC=N2)Cl 1 1.694 3 4 0 -3.82329386490885 992275 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC2=NC=C(C=C2)Cl)Cl 1 2.358 3 4 0 -3.29561071531497 992273 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)OCC(=O)N)C)Cl)C 1 3.536 3 4 0 -7.94216927208584 992271 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)Cl 1 2.564 3 4 0 -11.14095159755 992270 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)Cl 1 2.77 3 4 0 -10.1677713769425 992269 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)Cl 1 1.953 4 4 0 -11.9913462912549 992267 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)N)C)Cl 1 2.638 2 5 0 -3.37111558298495 992266 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)N)C)Cl)C 1 3.278 2 4 -3.21585510811944 992258 CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C 1 2.314 3 4 0 -22.7816163274612 992250 COC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)O)C(=O)NC2CCCCC2 1 1.272 2 6 0 -17.2388832953435 992249 CC(C)NS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)NC2CCCCC2 1 2.517 2 4 -19.40663993227 992248 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCCC3)OC 1 1.938 2 6 0 -22.6151628432243 992235 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)O 1 2.863 2 4 -15.8517928748058 992214 CC1=CC=C(C=C1)NC(=O)C2=CC(=C(S2)Br)S(=O)(=O)N3CCOCC3 1 2.427 2 4 -15.3109957345554 992164 CC1=CC(=CC=C1)NC(=O)CCSC2=NN=C(O2)CC3=CC=CC=C3 1 3.618 3 2 -16.4326733886765 992163 CC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(O2)CC3=CC=CC=C3 1 3.618 3 2 -18.2229247154809 992149 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CC(=O)NC3=CC=CC=C3Cl 1 3.565 1 3 -7.71986795337169 992147 C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4 1 3.969 3 3 -13.4188974028135 992131 COC1=CC=CC=C1NC(=O)CCSC2=NN=C(O2)C3=CC=NC=C3 1 1.93 4 3 0 -13.764457819339 992130 C1=CC(=CC(=C1)Cl)NC(=O)CCSC2=NN=C(O2)C3=CC=NC=C3 1 2.611 4 2 -7.4838738150783 992129 C1=CC=C(C(=C1)NC(=O)CCSC2=NN=C(O2)C3=CC=NC=C3)Cl 1 2.611 4 2 -10.2320788003576 992127 C1=CC=C2C(=C1)C=CC=C2NC(=O)CCSC3=NN=C(O3)C4=CC=NC=C4 1 2.854 4 2 -11.20909082689 992061 CCC1=NN=C(S1)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F 1 4.163 3 2 -1.91368056813836 992050 CC1=C(C=C(C(=N1)C)NC(=O)NC2=C(C=CC(=C2)OC)OC)NC(=O)NC3=C(C=CC(=C3)OC)OC 1 2.564 5 6 0 -7.19249399734925 992049 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=NC=C3 1 2.438 3 3 -6.50101555947855 991971 CC1=CC(=CC(=C1S(=O)(=O)N2CC(=O)NC3=CC=CC=C32)C)C(C)(C)C 1 3.702 2 3 -9.70478649908807 991955 CC1=C(C(=NN1C(=O)CCCC(=O)N2C(=C(C(=N2)C)Cl)C)C)Cl 1 3.218 4 2 -5.29568153707303 991947 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3 1 3.227 2 3 -11.3990587011352 991898 CC1=CC=C(C=C1)OCCN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C 1 3.003 4 3 0 -14.5259232187468 991895 COC1=CC=C(C=C1)CNC(=O)CNC2=NC(C(=O)N2)(C3=CC=CC=C3)C4=CC=CC=C4 1 2.992 4 3 0 -12.1199436177108 991882 CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2CCN=C2C3=CC=CC=C3 1 4.289 2 2 -2.62358025853183 991878 COC1=C(C=CC(=C1)S(=O)(=O)N2C=NC3=CC=CC=C32)Br 1 3.434 2 3 -6.54107833903495 991876 CCOC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCC(CC2)C(=O)N 1 1.502 2 4 0 -10.1977896997664 991871 CC1=C(C=CC(=C1Cl)S(=O)(=O)N2CCN=C2C3=CC=CC=C3)Cl 1 4.289 2 2 -2.77668708437609 991869 COC1=C(C=CC(=C1)S(=O)(=O)N2CCN=C2C3=CC=CC=C3)Cl 1 3.122 2 3 -9.60140330458747 991868 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN=C2C3=CC=CC=C3 1 3.122 2 3 -5.24456726440833 991866 COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)N2CCN=C2C3=CC=CC=C3 1 3.106 2 4 -8.29091507904685 991865 CC1=CC(=C(C=C1S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C)Br)C 1 3.201 2 2 -11.0935504509274 991864 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C 1 2.561 2 3 -13.6486929384095 991863 CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C 1 3.295 2 2 -8.18240936893366 991860 CCOC1=C(C=C(C(=C1)C)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C)C 1 2.785 2 3 -10.7324572830434 991859 CCOC1=C(C=CC(=C1)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C)Cl 1 2.477 2 3 -14.8984778441169 991858 CC1=C(C=CC(=C1C)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C)OC 1 2.437 2 3 -10.8664639910656 991857 CC1=CC(=C(C(=C1OC)C)C)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C 1 2.923 2 3 -11.225325459446 991848 CC1=CC(=C(C=C1C)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C)OC 1 2.437 2 3 -11.3914522141216 991846 CC1(CC(CC(N1)(C)C)NS(=O)(=O)C2=C(C=C(C(=C2)OC)Cl)OC)C 1 2.112 2 4 -14.9590803731396 991836 CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC(=C(C=C5)C)C 1 4.941 3 3 -7.94005214094679 991824 COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 1 3.147 2 5 0 -9.53593435076836 991788 CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5C)C 1 4.941 3 3 -4.92366877902198 991781 C1CCN(C1)C(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br 1 3.231 1 3 -9.90553919669859 991780 C1CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3S(=O)(=O)N4CCCC4 1 1.894 2 4 0 -11.6192125722543 991767 CN1CCC(CC1)OC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)Br 1 2.558 1 5 -8.630130488868 991766 CN1CCC(CC1)OC(=O)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl 1 3.154 1 4 -7.83315899620702 991756 CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC)C 1 3.813 2 3 -3.23970765409481 991754 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 2.916 1 6 0 -8.20522946325316 991702 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4 1 2.138 2 5 0 -11.8736333801063 991675 C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4 1 3.27 4 2 -6.88958898136808 991671 C1CN(CCN1C(=O)C2=CC(=CC=C2)Br)S(=O)(=O)N3CCOCC3 1 0.278 3 4 0 -15.2737756598613 991670 CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)Br 1 0.591 3 3 0 -19.6639530856333 991665 CC1=CC=C(C=C1)N(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C 1 3.4 3 3 -18.1028834741196 991613 CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC)C 1 3.813 2 3 -4.77883092397503 991615 CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCOCC3)C 1 0.205 3 5 0 -15.7156687058269 991630 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 0.651 3 5 0 -19.8921969203181 991663 CC1=CC=C(C=C1)N(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C 1 3.887 3 3 -14.8745601454764 991661 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)Cl 1 2.836 3 2 -5.06273619280669 991660 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)N3CCCCC3 1 2.658 3 2 -5.20009534156807 991659 CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)N3CCCCC3)Cl 1 2.658 3 2 -6.57247730057159 991658 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N3CCCC3 1 -5.3e-002 4 4 0 -21.6861868516782 991553 COC1=C(C=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)OC 1 1.718 2 5 0 -18.0302415688052 991551 COC1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 1.734 2 4 0 -14.053404849312 991550 COC1=CC=CC(=C1)CC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 1.734 2 4 0 -13.8344825061629 991549 CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)C4=CC=CC=N4)NC(=O)C 1 2.219 6 2 0 -5.58254261811759 991548 CCC(=O)NC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.886 6 2 0 -5.55468861634662 991547 CCC(=O)NC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 3.064 6 2 0 -3.73268992575981 991534 CC(=O)NC1=C(C=NN1C2=CC=CC=C2Cl)C(=O)N3CCCCCC3 1 2.753 4 2 -11.2761712525594 991510 CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CNCC4=CC=C(C=C4)F 1 4.357 3 1 -2.23824190439546 991507 CCOC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CN4CCN(CC4)C(=O)C5=CC=CO5 1 3.226 4 4 0 -10.2938344281324 991506 COC1=CC(=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CN4CCOCC4)OC 1 2.272 3 4 0 -7.63044386567736 991497 CCC(CC)N1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F 1 4.554 4 1 -3.90577752535193 991494 C1CN(CCN1CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C(=O)C5=CC=CO5 1 3.099 4 3 0 -6.00889582301682 991488 C1CCCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F 1 4.196 3 1 -2.60582480456213 991469 C1COCCN1CCNC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.642 3 3 -10.1172216745116 991468 C1COCCN1CCNC(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 2.977 3 3 -10.0032336339257 991467 COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2C(=O)NCC3=CC=CO3)Cl)Cl 1 3.9 2 4 -7.56578943992418 991459 C1COCCN1CCNC(=O)C2=CC(=CC(=C2NC(=O)C3=C(C=C(C=C3)Cl)Cl)Cl)Cl 1 4.306 3 3 -4.992324949777 991458 C1=CC(=CN=C1)CNC(=O)C2=CC(=CC(=C2NC(=O)C3=C(C=C(C=C3)Cl)Cl)Cl)Cl 1 4.913 3 2 -5.24808609533865 991456 COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NCC3=CC=CO3 1 3.236 2 4 -12.0275015735569 991455 COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NCCN3CCOCC3 1 2.297 3 4 0 -12.141143153862 991450 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3 1 2.239 3 3 -15.0804203629734 991447 COC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)Cl)NC(=O)C4=CC=CO4 1 4.227 3 5 0 -8.62530886049896 991435 CN1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.979 3 2 -4.13759015531408 991432 C1COCCN1CCNC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CO3 1 1.708 3 4 0 -10.8223245465311 991426 CC1CCN(CC1)C(=O)C2=CC(=CC(=C2NC(=O)C3=CC=C(C=C3)OC)Cl)Cl 1 4.51 2 3 -7.92142856519319 991359 CN(CCO)S(=O)(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)S(=O)(=O)N(C)CCO 1 7.7e-002 2 7 0 -8.58708596210011 991310 COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)C4=CC=CS4 1 5.842 3 2 -6.57095825589211 991298 C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)O)C3=C(C=C(C=C3)Cl)Cl 1 4.802 3 2 -11.5661069802912 991293 COC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)O 1 3.457 3 3 -13.3660781815656 991251 CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC3=CC=CC=C3C=C2)Cl 1 2.884 3 3 -7.22621679917556 991151 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC=CS3 1 2.094 4 3 0 -18.5274315859066 991147 CC1=NN(C2=C1C(=C(CC2)C=NC3=CC=C(C=C3)OC)NC4=CC=C(C=C4)OC)C5=CC=CC=N5 1 5.172 5 2 0 3.93657426016151 991136 CCOC(=O)C1=C(N(N=C1)C2=NC=NC3=C2C=NN3CC4=CC=CC=C4)N 1 2.031 7 2 0 -10.3424787573976 991124 CC1(CC(=O)C(C(=O)C1)C2C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C24)C 1 3.278 0 4 -6.44090158805141 991085 CC(C)(C)OC(=O)C1=C(ON=C1C2=C(C=C(C=C2OC)OC)OC)C(=O)OC(C)(C)C 1 4.046 1 8 0 -8.55031514470786 991082 CC1=CC(=C(C(=C1)C)C2=NOC(=C2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C 1 5.554 1 5 -7.1434288032669 991070 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=C(C=C4)F 1 2.47 3 3 -2.47395486430422 991054 CC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3F 1 4.768 3 1 -7.1557645294976 991048 C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)C3=C(C=CC=C3F)F 1 4.488 3 1 -7.61374893603487 991038 CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=CC=C3F)C 1 3.128 0 4 -2.75488170613035 991037 CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=C(C=C3)F)C 1 3.128 0 4 -0.129119738820869 991034 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 4.273 3 3 -10.0298668721239 991027 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC=C3C(=O)OC(OC3=O)(C)C 1 0.82 3 5 0 -4.3871026179756 991018 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)Br 1 1.725 5 3 0 -12.5967065130854 991000 C1CCN(CC1)C2(CCN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)Br)C(=O)N 1 3.016 4 1 -0.36765650822859 990988 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=N3 1 2.738 3 5 0 -11.8100341542516 990984 CS(=O)(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NCC2=CC=CC=C2 1 2.515 1 4 -7.19902987596777 990981 CN(C)C(=O)CSC1=NN(C(=N1)SCC(=O)N(C)C)C2=CC=CC=C2 1 2.05 5 2 0 -8.37169299229329 990978 C1COCCN1C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)Br 1 1.149 3 4 0 -11.9566154047885 990970 CC1=NN=C(N1N)SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4Cl 1 3.008 6 1 0 -13.6876856536596 990958 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3OCCCO3 1 3.471 1 4 -0.874202539414418 990955 C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=CC=CC=C4 1 3.993 4 1 -14.6126081328389 990951 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=N3 1 1.904 4 4 0 -13.488293354031 990946 CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 3.765 2 2 -14.3450343768074 990944 COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N3CCC(CC3)C4=CC=CC=C4 1 4.484 2 2 5.76617728086337 990935 COC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4 1 3.181 3 2 -0.343580151869584 990927 CC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl 1 2.994 1 4 -6.77332972979079 990902 CN1C(=NN=C1SCC(=O)NCC2=CC=C(O2)C(=O)OC)COC3=CC=CC=C3 1 2.215 4 5 0 -20.7503430939572 990895 C1CN(CCN1CCOC(=O)C2=CC=CC=C2F)C3=NS(=O)(=O)C4=CC=CC=C43 1 2.492 3 4 0 -5.44875521838201 990876 C1CCC2=C(C1)C=CC=C2NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 4.773 1 2 -1.46978144020193 990854 CC(C)(CNC1=NS(=O)(=O)C2=CC=CC=C21)CNC(=O)C3=CC=CC=C3 1 2.39 3 3 -12.0575722378566 990853 CC1=CC=C(C=C1)NC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C 1 5.877 2 3 1.95259306716105 990849 C1=CC=C(C=C1)C2=CN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC=CO4 1 4.218 3 2 -12.7094456937597 990838 C1=CC=C2C(=C1)C(=NS2(=O)=O)N(CC3=CC=CS3)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5Cl 1 5.822 2 4 -8.57096156374925 990837 CN(C)CCN(C)CC1=C2C=CC=CC2=C(C3=CC=CC=C31)CN(C)CCN(C)C 1 4.071 4 0 1.79785833772898 990823 C1CN(CCC1C(=O)N)C2=NC(=CS2)C3=CC=C(C=C3)Br 1 2.539 3 1 4.09678845323383 990808 CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC 1 3.844 4 2 -14.4950037204256 990805 COC1=CC=C(C=C1)C2=CSC(=N2)N3CCC(CC3)C4=CC=CC=C4 1 4.501 2 1 8.66857830679786 990802 CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 1.966 2 5 0 -17.9016399718374 990788 COC1=CC(=CC(=C1OC)OC)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.471 2 6 0 -24.0826026126793 990758 COC(=O)C1=CC2=C(C=C3C=CC=CN3C2=C1C(=O)OC)C4=CC=CC=C4 1 4.091 1 4 -4.15036513024609 990754 CC1=C2C=CC=CN2C3=CC(=C(C3=C1C4=CC=CC=C4)C(=O)OC)C(=O)OC 1 4.577 1 4 -4.35922320772196 990753 CC1=C2C=CC=CN2C3=C(C(=CC3=C1C4=CC=CC=C4)C(=O)OC)C(=O)OC 1 4.577 1 4 -3.19225799551088 990752 COC(=O)C1=C(C2=CC=CC3=CC(=C4C=CC1=C4N32)C5=CC=CC=C5)C(=O)OC 1 4.818 1 4 -1.4166997812965 990733 CC1=C(C(=C2C3=C(C(=N)N(C=N3)N)SC2=N1)C4=CC=C(C=C4)Cl)C(=O)C 1 2.72 5 1 -5.10516661414769 990732 CC1=C(C(=C2C3=C(C(=N)N(C=N3)N)SC2=N1)C4=CC=C(C=C4)OC)C(=O)C 1 2.039 5 2 0 -7.34013151387865 990726 CCOC(=O)C1=C(N=C(C(=C1C2=CC=CC=C2)C#N)SCC(=O)N)C 1 2.498 3 3 -12.9773929871275 990724 CCOC(=O)C1=C(N=C2C(=C1C3=CC=CC=C3)C(=C(S2)C(=O)N)N)C 1 2.292 3 3 -5.37432408960283 990691 CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)OC)C4=C(S2)C(=O)N=CN4)C 1 2.941 3 4 0 -6.95993578142345 990689 CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)OC)C(=C(S2)C(=O)N)N)C 1 2.276 3 4 0 -5.24173093379672 990687 CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)OC)C4=C(S2)C(=O)N(N=N4)C5=CC=C(C=C5)OC)C 1 5.582 4 5 0 -12.7168576256186 990685 CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)OC)C4=C(S2)C(=O)N(C=N4)C5=CC=C(C=C5)OC)C 1 4.707 3 5 0 -9.2250562635885 990684 CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)OC)C(=C(S2)C(=O)NC4=CC=C(C=C4)C(=O)C)N)C 1 3.798 3 5 0 -10.31023607752 990683 CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)OC)C(=C(S2)C(=O)NC4=CC=C(C=C4)OC)N)C 1 4.042 3 5 0 -7.42187248894092 990682 CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)OC)C(=C(S2)C(=O)NC4=CC=CC=C4)N)C 1 4.058 3 4 0 -6.75220768509672 990678 CCOC(=O)CSC1=NC(=NC2=C1SC3=NC(=C(C(=C23)C4=CC=C(C=C4)OC)C(=O)C)C)C 1 4.206 3 4 0 -15.1919933915651 990674 CC1=CC=C(C=C1)N2C(=O)C3=C(C4=C(C(=C(N=C4S3)C)C(=O)C)C5=CC=C(C=C5)OC)N=N2 1 5.621 4 3 0 -10.6695028775023 990672 CC1=C(C(=C2C3=C(C(=O)N=NN3)SC2=N1)C4=CC=C(C=C4)OC)C(=O)C 1 3.352 4 3 0 -8.860686279851 990669 CCOC(=O)CN1C(=O)C2=C(C3=C(C4=C(CCC4)N=C3S2)C5=CC=C(C=C5)Cl)N=N1 1 5.336 4 3 0 -13.5228127772866 990668 CC1=CC=C(C=C1)C(=O)CN2C(=O)C3=C(C4=C(C5=C(CCC5)N=C4S3)C6=CC=CC=C6)N=N2 1 6.358 4 2 -13.2911469576653 990667 C1CC2=C(C1)N=C3C(=C2C4=CC=CC=C4)C5=C(S3)C(=O)N(N=N5)CC(=O)C6=CC=CC=C6 1 5.872 4 2 -14.3798259872229 990666 C1CC2=C(C1)N=C3C(=C2C4=CC=CC=C4)C5=C(S3)C(=O)N(N=N5)CC(=O)N 1 3.47 5 2 0 -14.3984218344744 990659 CC1=NC2=C(C(=N1)Cl)SC3=NC4=C(CCC4)C(=C23)C5=CC=C(C=C5)OC 1 4.985 3 1 -1.3969317821516 990655 CC1=NC(=O)C2=C(N1)C3=C(C4=C(CCC4)N=C3S2)C5=CC=C(C=C5)OC 1 3.597 3 2 -4.92311699174862 990652 C1CC2=C(C1)N=C3C(=C2C4=CC=C(C=C4)Cl)C5=C(S3)C(=O)N=CN5 1 4.199 3 1 -1.93148984076917 990645 CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4 1 5.562 3 2 -9.55539870190068 990640 COC1=CC=C(C=C1)C2=C3C(=C(SC3=NC4=C2CCC4)C(=O)NC5=CC=CC=C5)N 1 4.635 3 2 -4.86595288577966 990603 COC1=C(C=C(C=C1)C2=C(N=C(C(=O)N2C3=CC=CC=C3)NCC4=CC=CC=C4)Cl)OC 1 4.306 3 3 -5.01374177140036 990546 CC(C)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)Br 1 5.305 1 1 -0.560975448049206 990539 CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)Br 1 5.053 1 1 -1.08387328047993 990462 CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3F)CC(=O)C4=CC=CC=C4)C 1 3.301 4 2 -4.9940016448173 990460 CCOC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CCN4CCCCC4)C)C 1 3.228 5 2 0 -2.97680503508895 990458 CC1=C2C(=NN=C(C2=NN1C3=CC=C(C=C3)Cl)N4CCN(CC4)C)C 1 2.906 6 0 5.45443857033096 990456 CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCCN4CCCC4)C)C 1 4.216 5 1 -2.67425584817414 990454 CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3F)SCCN4CCOCC4)C 1 3.316 5 1 -5.42169678158185 990451 CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCCN4CCOCC4)C)C 1 3.597 5 1 -4.43643780673594 990447 CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)N4C(=C(C=N4)C#N)N)C)C 1 2.558 8 1 0 -4.86032310718853 990446 CC1=C2C(=NN=C(C2=NN1C3=CC(=CC=C3)OC)N4C(=C(C=N4)C#N)N)C 1 2.209 8 1 0 -3.36910281618146 990443 CC1=C2C(=NN=C(C2=NN1C3=CC(=CC=C3)Cl)N4C(=C(C=N4)C#N)N)C 1 2.89 8 0 0 0.206550876915118 990430 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NC=CC(=C3)C 1 5.569 3 2 -5.83671993399627 990429 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC(=N3)C 1 5.838 3 2 -6.22816990870733 990405 CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)N)SC(=C3)C4=CC=CC=C4 1 4.749 3 2 -18.8869788236384 990395 CC1=CC(=NC(=C1C#N)SCC(=O)NN2CC(=O)N(CC2=O)C3=CC=CC=C3F)C 1 1.576 5 3 0 -17.3343461223039 990389 CC(=O)CSC1=NN=C(N1CC=C)C2=C(SC(=C2)C3=CC=CC=C3)N 1 3.456 4 1 -11.0214392006064 990383 CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N4C(=N3)SCC(=N4)C 1 2.138 4 3 0 -19.7884303850633 990380 C1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)N=C(CS4)C5=CC=CS5 1 4.671 3 1 -16.7971621626248 990374 C1CC2=C(C3=CC=CC=C31)N=C(C(=C2C4=CC=CO4)C#N)OCC(=O)C5=CC=CC=C5 1 5.798 2 3 -4.67255524682641 990366 C1C(=O)N(C=C2N1NC(=S)N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 3.664 4 1 -3.51623585963143 990365 C1C(=O)N(C=C2N1NC(=S)N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl 1 4.328 4 1 -4.08125160670675 990364 C1C(=O)N(CC(=O)N1C2=CC=C(C=C2)Cl)NC(=S)NC3=CC=C(C=C3)Cl 1 3.672 4 2 -8.46463987125296 990362 CC1=CC(=NC2=C1C(=C(S2)C(=O)NN3CC(=O)N(CC3=O)C4=CC=CC=C4F)N)C 1 1.37 5 3 0 -8.45146504518934 990361 CC1=CC(=NC(=C1C#N)SCC(=O)NN2CC(=O)N(CC2=O)C3=CC(=CC=C3)OC)C 1 1.354 5 4 0 -18.5828523132732 990336 CNC(=O)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CO3 1 2.219 5 3 0 -11.5215456403043 990329 C1CN2C(=NN=C2SCC(=O)C3=CC=CC=C3)N(C1)C(=S)NC4=CC=C(C=C4)Cl 1 5.096 5 1 -13.0315844143656 990326 C1C(=NN2C(=NN=C2S1)CN3C4=CC=CC=C4N=N3)C5=CC=C(C=C5)C6=CC=CC=C6 1 4.901 7 0 0 -8.81705051393337 990315 C1=CC=C(C=C1)C2=NC3=C(C(=C2)C4=CC=CO4)C5=C(O3)C(=O)N(C=N5)NC=O 1 2.55 4 4 0 1.86636704875139 990305 C1=CC=C(C=C1)C2=C(C(=O)N(N=C2C3=CC=CC=C3)CC(=O)NNC(=O)NC4=CC(=C(C=C4)Cl)Cl)C#N 1 4.101 6 3 0 -9.2937063638981 990304 CC1=CC=C(C=C1)NC(=O)NNC(=O)CN2C(=O)C(=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N 1 3.258 6 3 0 -10.9137950571115 990303 C1=CC=C(C=C1)C2=C(C(=O)N(N=C2C3=CC=CC=C3)CC(=O)NNC(=O)NC4=CC=CC=C4)C#N 1 2.772 6 3 0 -11.3634806575331 990301 C=CCN1C(=NNC1=S)C2=C(C3=C(O2)N=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)N 1 5.081 5 1 -5.40798357509824 990297 C1=CC=C(C=C1)C2=CN(N=C2C=NNC(=O)C3=CC=NC=C3)C4=CC=CC=C4 1 3.706 5 1 3.44001288842806 990283 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC(=O)NNC(=S)NC4=C(C=C(C=C4)Cl)Cl 1 6.499 4 1 -2.74124516482032 990276 C1=CC=C(C=C1)N2C=C(C(=N2)C=NNC(=O)C3=CC=NC=C3)C4=CC=C(C=C4)Cl 1 4.37 5 1 6.02955945737832 990236 CNC1=C(C(=O)N(C(=O)N1C)C)N2C=C(C(=C2C(=O)OC)C(=O)OC)C(=O)OC 1 5.e-002 4 8 0 -15.9175441339393 990044 COC1=C(C(=O)N(N=C1)C2=CC=C(C=C2)Br)SCC3=CC=CC=C3 1 3.743 2 2 -5.91378755599469 990043 COC1=C(C(=O)N(N=C1)C2=CC=CC=C2)SCC3=C(C=C(C=C3)Cl)Cl 1 4.324 2 2 -4.82606759278178 990041 CCOC1=C(C(=O)N(N=C1)CC2=CC=CC=C2)SCC3=CC=CC=C3 1 3.35 2 2 -6.2002650960052 990039 CSC1=C(C(=O)N(N=C1)CC2=CC=CC=C2)SCC3=CC=CC=C3 1 3.56 2 1 -4.30622697986542 990032 CSC1=C(C=NN(C1=O)CC2=CC=CC=C2)SCC3=CC=CC=C3 1 3.56 2 1 -4.30622697986542 989994 CCC1=C(OC2=C1C=C3C(=CC(=O)OC3=C2C)C)C(=O)C4=CC=C(C=C4)Cl 1 6.438 0 4 3.27443054885835 989987 CCC1=C(OC2=C1C=C3C(=CC(=O)OC3=C2C)C)C(=O)C4=CC=C(C=C4)C 1 6.26 0 4 1.26413526393773 989984 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)COC3=CC=CC=C3 1 2.416 4 3 0 -18.3217503852211 989983 CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 3.067 4 2 -18.8084604365777 989981 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br 1 3.329 4 2 -18.3561444019791 989980 CC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC5=C(C=C4)OCCO5 1 3.65 4 2 -4.70498611625549 989979 CCOC1=CC=CC=C1OCC2=NN3C(=NN=C3S2)C4=CC=C(C=C4)C 1 4.032 4 2 -3.93868635487371 989942 C1COC2=C(O1)C=CC(=C2)C3=NN4C(=NN=C4S3)CC5=CC=CC=C5 1 3.199 4 2 -7.80674112544121 989941 COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NN=C3S2)CC4=CC=CC=C4 1 3.364 4 3 0 -8.99034104764466 989911 CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)N3CCC4=CC=CC=C4C3 1 4.376 3 2 -30.1064524746949 989908 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)CC=C)C 1 4.195 3 2 -31.5648104711489 989906 CC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)N3CCC4=CC=CC=C4C3 1 3.709 3 2 -26.5839165729263 989888 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC4=CC=CC=C4C3 1 3.777 3 2 -27.9741866308696 989841 C1CN(C2=CC=CC=C21)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5 1 4.73 3 2 -25.6225670067993 989657 CC(C)(C)N(C(=O)C1=CC=C(C=C1)C(=O)N(C(C)(C)C)NC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 1 4.187 4 4 0 -7.6839767223567 989653 CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)NC2=CC=C(C=C2)Cl)C 1 4.553 3 2 -2.97082424215391 989652 CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 4.245 3 2 -3.95432108116804 989651 CC(C)(C)N(C(=O)C1=CC=CC=C1Cl)NC(=O)OCC2=CC=CC=C2 1 4.235 2 3 -5.61311682750805 989634 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC4=CC=CC=C4C3)CC5=CC=CC=C5F 1 3.431 5 2 0 -16.676019031159 989609 CN1C2=C(N=C1N(C)CCO)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C 1 1.692 5 3 0 -0.814536307371985 989579 CC1=CC=CC=C1N2C(=CC(=C2C)/C=C\3/C(=N)N4C(=CSC4=NC3=O)C5=CC=CC=C5)C 1 5.213 4 1 -10.9512577466239 989525 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.086 2 4 -6.05295545437268 989445 CC1=NN(C(=C1/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)C(C)C)Cl)C4=CC=CC=C4 1 4.528 6 1 0 -13.179756251212 989427 C1COCCN1C2=N/C(=C\C3=CC=CC=C3)/C(=O)N2C4=CC(=CC=C4)Cl 1 3.337 3 2 -4.21546054276075 989407 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC(=O)C(=C(N2)N)C3=CC=CC=C3 1 2.317 4 4 0 -14.5530880083735 989406 C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC3=C(C=CC=C3Cl)F)N 1 4.166 3 1 -9.39314347883435 989404 C1=CC=C(C=C1)CCNC(=O)CSC2=NC(=O)C(=C(N2)N)C3=CC=CC=C3 1 2.677 4 2 -16.283134063171 989402 COC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)C3=CC=CC=C3 1 2.333 4 3 0 -12.3047437920035 989400 C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC(=O)NCC3=CC=CO3)N 1 1.538 4 3 0 -18.0177221092763 989399 C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC(=O)NC3=CC=CC=C3)N 1 2.349 4 2 -12.341463183281 989398 C1CCCC(CC1)NC(=O)CSC2=NC(=O)C(=C(N2)N)C3=CC=CC=C3 1 3.087 4 2 -15.4003066523298 989397 C1CCC(CC1)NC(=O)CSC2=NC(=O)C(=C(N2)N)C3=CC=CC=C3 1 2.631 4 2 -15.4003066523298 989377 CC1=CC(=C(C=C1)OC)NC(=O)CN(C)S(=O)(=O)C2=C(C=CC(=C2)C)OC 1 2.523 2 5 0 -12.5836004768204 989373 C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCCC3)NC(=O)C4=CC=CC=C4 1 3.112 3 2 -9.61220704072239 989345 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=CC(=C2)C)S(=O)(=O)C 1 1.884 3 5 0 -20.3871330491553 989339 CC1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 2.596 2 3 -13.7484801061935 989336 CCC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)S(=O)(=O)C 1 1.627 3 5 0 -21.4832590282465 989332 CC1=CC(=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)S(=O)(=O)C)C 1 4.78 2 4 -10.8177383309499 989331 CC1=CC(=CC(=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)S(=O)(=O)C)C 1 1.657 3 5 0 -21.5454609381705 989330 CC1=CC=C(C=C1)SCCC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3 1 2.844 2 3 -13.5485240748316 989313 CC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)S(=O)(=O)C 1 1.171 3 5 0 -21.2438208924674 989308 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)CSCC3=C(C=CC=C3Cl)Cl 1 3.445 2 3 -18.9241157246288 989305 CN(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)C 1 3.85 2 3 -10.8428557080144 989303 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)CSCC3=CC=C(C=C3)Cl 1 2.781 2 3 -16.1177447594291 989299 CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)CC4=CC=CS4 1 3.313 4 1 -20.1406235880566 989289 CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)Cl)C2CCCCC2 1 2.536 2 3 -12.5787828284797 989288 CS(=O)(=O)N(CC(=O)NCC1=CC=CC=C1Cl)C2CCCCC2 1 2.536 2 3 -15.76442094955 989277 CC1=NN2C(=C(C=NC2=C1C3=CC=CC=C3OC)C4=CC=C(C=C4)Cl)N 1 3.863 4 1 -1.15288621856822 989272 COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(S2)Br 1 2.662 1 3 -2.78692033036872 989264 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C(=C(C=C3)OC)Cl)Cl 1 2.723 3 4 0 -13.9838603148175 989263 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(S3)Br 1 1.765 3 3 0 -12.2796607842877 989253 CS(=O)(=O)N(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=CC(=CC=C3)F 1 1.959 3 3 0 -7.95346207688953 989240 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CN3C4=CC=CC5=C4C(=CC=C5)C3=O 1 3.458 3 2 2.03399648075221 989238 COC1=CC=CC=C1CNS(=O)(=O)C2=CC=C(S2)Br 1 2.662 1 3 -5.56033129642303 989220 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)N 1 1.898 3 4 0 -11.0225040592419 989209 CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC3=CC(=CC=C3)Br 1 3.011 4 2 -8.06544180280721 989188 CCOC1=C(C=CC(=C1)C2=NC(=C(N2O)C(=O)C)C)OCC(=O)NC3=CC=CC(=C3)C 1 1.268 3 5 0 -7.3816705053619 989187 COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O 1 1.444 3 5 0 -4.11423826856473 989164 CN(C1=CC=CC=C1C(=O)NC2CCCCC2)S(=O)(=O)C3=CC=CC=C3 1 3.59 2 3 -14.2343795216646 989151 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC(=O)NCC3=CN=CC=C3)C4=CC=C(C=C4)F 1 2.007 3 5 0 -23.6789382535801 989135 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)OC 1 1.592 2 6 0 -14.2271421583286 989132 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.887 4 4 0 -21.7605423558822 989046 CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)NCCN(C)C)C#N 1 5.162 5 0 -11.0996069604327 988959 COC1=CC(=C(C=C1/C=C\2/C(=O)N=C(S2)N3CCCCC3)OC)OC 1 3.276 2 4 -9.11193013341043 988963 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC=C(C=C4)OC)C(C)(C)C 1 3.595 4 2 -12.8521889865934 988997 CC1=NN(C(=C1C2=CC(=C(C=C2)OC)OC)NC(=O)C)C3=CC=CC=C3 1 3.069 3 3 -6.08697279135958 988925 CC1=CC=C(C=C1)C2=NN(C(=S)N2C)CC(=O)NC3=C(C=CC(=C3)Cl)OC 1 4.078 4 2 -4.18069955701743 988924 CCN1C(=NN(C1=S)CC(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3Cl 1 3.941 4 2 -8.61049553275235 988923 CCN1C(=NN(C1=S)CC(=O)NC2=CC=C(C=C2)OCC)C3=CC=CC=C3Cl 1 4.289 4 2 -5.87125784582967 988922 CCN1C(=NN(C1=S)CC(=O)NC2=CC=C(C=C2)OC)C3=CC=CC=C3Cl 1 3.941 4 2 -5.3233339973288 988921 CCN1C(=NN(C1=S)CC(=O)NC2=C(C=CC(=C2)Cl)Cl)C3=CC=CC=C3Cl 1 5.286 4 1 -3.96874426284743 988918 CCN1C(=NN(C1=S)CC(=O)NCCC2=CC=CC=C2)C3=CC=CC=C3Cl 1 4.285 4 1 -9.78122511221773 988917 CCN1C(=NN(C1=S)CC(=O)NC2=CC=CC=C2C)C3=CC=CC=C3Cl 1 4.443 4 1 -7.64347356118935 988914 CCN1C(=NN(C1=S)CC(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)C 1 4.107 4 1 -9.20345035991666 988880 CCC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)Br 1 3.788 3 2 -2.61909680168705 988879 CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC(=C(C=C3)Cl)Cl)C(=O)O 1 4.804 0 4 -1.13089658048149 988878 CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)Br)C(=O)O 1 4.224 0 4 -2.27833222439985 988862 CC1=C(C2=C(O1)C=CC(=C2)OCC3=C(C=C(C=C3)Cl)Cl)C(=O)O 1 4.804 0 4 -0.225269184646144 988854 C1=CC=C(C=C1)N(CN2C(=O)C3=CC=CC=C3C2=O)C(=O)COC4=CC=CC=C4 1 3.319 2 4 -8.25885930725388 988851 CCN(CC)C(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3 1 3.325 1 4 -9.26401653345981 988814 CC1=C(C=C(O1)C(=O)OC)COC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3 1 3.913 0 6 -9.38234939925845 988765 C1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)N)Cl)C(=O)NC3=C(C=C(C=C3)N)Cl 1 3.235 4 2 -4.09340803512774 988715 CC1=C(C=C(O1)C(=O)OC)COC2=CC3=C(C=C2)OC(=C3C(=O)OC)C 1 3.097 0 7 0 -10.9039187146617 988713 C1CN(CCN1C(=S)NC2=CC=CC=C2)C(=S)NC3=CC=CC=C3 1 5.733 4 0 -9.78571120912128 988703 CC1=C(C=C(O1)C(=O)OC)COC2=CC3=C(C=C2)OC(=C3C(=O)OC(C)C)C 1 3.823 0 7 0 -13.2270483357516 988622 CC1=C(C=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)Br 1 3.209 4 1 -2.05209235059579 988603 CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OC)C(=CC2(C)C)C 1 4.243 1 3 -7.10757790641765 988590 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=C\3/C(=C(NC3=O)C)C(=O)OC 1 2.856 2 3 -10.20808266047 988471 CCN(CC)C1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C 1 3.042 5 2 0 -14.569961959341 988415 CC1=CC=C(C=C1)SCCC(=O)NC2=CC=CC=C2Br 1 4.491 1 1 -5.98911401578026 988359 CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)N4C=CN=C4C)C#N 1 5.277 5 0 -9.15663636550038 988301 C1CCCN(CC1)CCNC2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N 1 5.131 5 0 -11.264453703424 988257 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCC3=CC=CC=C3 1 3.951 2 3 -4.47952060324871 988256 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=C3Cl 1 4.294 2 3 -5.75326268915716 988254 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=C3Cl 1 3.771 2 3 -4.85208689669164 988235 CC1=CC=C(C=C1)CSC2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C 1 4.427 4 2 -11.7599089921019 988232 C1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC=C(C=C3)Br 1 5.538 1 1 1.86419612896144 988174 C1CCC(CC1)NC(=O)NC2=CC=CC=C2NC(=O)NC3CCCCC3 1 3.779 4 2 -9.1924190410272 988165 CCOC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F 1 3.123 3 2 -1.55582474178027 988160 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)Br 1 3.245 3 1 -1.81493050295876 988097 CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)S(=O)(=O)NC5=CC=CC(=C5C)C)C 1 6.413 2 4 0.189234290486954 987999 CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C4C(=O)NC(=S)NC4=O 1 2.698 3 4 0 -6.44595586143844 987988 C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl 1 3.623 3 3 -15.510705245572 987986 COC1=CC=CC=C1N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C 1 1.854 2 4 0 -19.7620421117504 987965 C1CCN(CC1)C(=S)C2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F 1 5.873 2 0 -5.30524845583254 987954 CCN(CC)C1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)C4=CC=CC=C4C 1 5.121 4 1 -10.0011224735658 987927 CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC4=CC=C(C=C4)F 1 2.944 5 2 0 -9.67892345408382 987926 COC1=CC=CC=C1N2CCN(CC2)C(=O)COC3=CC=CC=C3OC 1 2.675 2 4 -7.53908724960961 987924 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)C3=CC=CC=C3 1 2.865 7 1 0 -13.33386091018 987923 CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)C3=CC=C(C=C3)OC 1 2.849 7 2 0 -12.9511795518148 987892 CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCN(CC4)CCO)N(C(=O)N(C3=O)C)C 1 1.471 6 3 0 -9.38712348989905 987891 C1CCC(CC1)N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br 1 3.046 3 3 -16.357475726726 987854 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 0.839 4 4 0 -18.9690880085943 987772 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.4 3 7 0 -13.9715960204452 987778 COC1=C(C=CC(=C1)C=NNC(=O)CSCC2=CC=CC=C2Br)OC(=O)OC 1 4.226 2 5 0 -12.0366973487693 987802 CC(C)(C)C1CCC(=NNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C)CC1 1 2.543 3 3 -17.6589740524877 987763 CC1=CC(=CC(=C1)N2C(=CC(=C2C)C=NNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C)C 1 5.203 4 3 0 -6.4338838787963 987761 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C 1 2.331 3 4 0 -15.8565042491457 987760 CC1=CC=C(C=C1)CSCC(=O)NN=CC2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)C 1 4.676 3 3 -13.5246717749296 987756 CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C 1 2.771 3 5 0 -10.588156241805 987751 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3C(=O)N 1 2.827 3 3 -12.2549088266631 987740 CC1=CC(=CC=C1)N2C(=CC(=C2C)C=NNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C 1 4.717 4 3 0 -4.9458635965435 987701 CC1=CC(=C(N1C2=C(C=C(C=C2)Cl)Cl)C)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 5.073 4 3 0 -6.65784908401763 987696 C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C=NNC(=O)CSCC3=CC=C(C=C3)Cl 1 4.368 3 3 -11.0330082804986 987674 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC=C(S3)CC4=CC=C(C=C4)Cl 1 3.945 2 2 -1.35224947620923 987627 CC1=C(C(=O)C2=C(C=C(C=C2O1)OC(=O)C)OC(=O)C)C3=CC4=C(C=C3)OCCCO4 1 2.764 0 8 0 -5.77440012719942 987672 CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=C3C(=O)C4=CC=CC=C4C3=O 1 4.519 1 4 -3.46903128999458 987668 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O 1 1.737 3 4 0 -21.0668430950243 987612 CCOC(=O)N1CCN(CC1)C(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 1 2.669 3 5 0 -13.0144266402793 987600 CCN1C(=O)C(=CC2=CC=C(O2)N3CCOCC3)C(=O)N(C1=S)CC 1 2.242 3 4 0 0.257223895817479 987587 COC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4 1 1.948 3 7 0 -27.8904281059839 987585 C1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C5=CC=CC=C5Cl 1 5.457 5 1 -15.9135161190462 987572 CC1=CC(=C(C=C1)C)N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)C 1 3.261 3 3 -16.2096856643369 987565 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CCCC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C)C 1 4.852 3 2 -11.3749231965046 985877 CCCC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F)C 1 4.571 3 2 -10.6630461710393 985855 CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O 1 2.328 4 4 0 -15.3533187524008 985821 C1=CC=C(C=C1)C2=C(SC(=N2)Cl)C(=O)NC3=CC(=CC(=C3)F)F 1 4.595 2 1 1.06754626782387 985777 CC1=C(C=NN1C2=CC=CC=C2)C3=NN=C(O3)C4=CC=C(C=C4)C(F)(F)F 1 4.368 4 1 6.2083012091187 985730 C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)F 1 2.577 3 3 -4.77850609975842 985729 COC1=CC=CC(=C1OC)C2=NN=C(O2)C3=CC=C(C=C3)C(F)(F)F 1 3.963 2 3 6.8756082635917 985723 C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4 1 2.371 3 3 -5.75168632036591 985658 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)CC3=CC(=CC=C3)Br 1 1.963 5 3 0 -15.2256437227024 985655 CCOC(=O)C1=C(N(N=C1)C2=NC3=C(C=CC=C3S2)C)C(F)(F)F 1 4.606 3 2 -2.42959600209721 985651 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC(=O)O)CC3=CC(=CC=C3)Br 1 2.839 4 4 0 -15.4916523397743 985562 CCOC1=C(C(=O)N(N=C1)C2=CC(=NC=N2)OC3=CC=C(C=C3)C)Cl 1 3.229 4 3 0 0.417578673107848 985526 COC1=CC(=NC(=N1)N2C(=O)C(=C(C=N2)Br)Br)OC 1 2.17 4 3 0 -3.98317234548941 985501 CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC=CC=C4 1 4.742 6 1 0 -1.11577984053116 985462 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)Br 1 3.027 2 3 -10.3073362459856 985461 CC1=C(N=NN1C2=CC=CC=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)OC 1 3.59 6 2 0 -12.2324585674794 985460 CC1=C(N=NN1C2=CC=CC=C2)C(=O)NNC(=S)NC3=CC(=CC=C3)Cl 1 4.271 6 1 0 -9.16801732815458 985458 CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(N(N=N2)C3=CC=CC=C3)C 1 4.093 6 1 0 -12.007788952669 985390 C1CN(CCN1C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5 1 3.916 4 2 -12.7864579889321 985351 COC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)C=NNC(=O)C3=CN=CC=C3 1 2.136 4 4 0 -14.6945958330701 985344 CC1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C)OC(=O)C)OC3=CC=CC=C3 1 2.701 0 7 0 -0.914943883085641 985331 C1CN(CCN1C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)C(=O)C5=CC=CO5 1 3.608 4 2 -1.26190702008016 985327 CC1=NC(=C2C3=C(CCC3)SC2=N1)N4CCN(CC4)C(=O)C5=CC=CO5 1 2.972 4 2 -9.91152567525559 985316 COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=NN2C3=CC=CC=C3 1 2.748 5 2 0 -24.2643110894437 985285 CC1=CC(=CC(=C1C)C)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C 1 4.747 4 0 4.38073436886216 985269 C1CN(CCN1C2=CC=CC=C2)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5 1 5.252 4 0 5.52716354948092 985267 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC5=CC=CC=C5C4 1 5.476 3 0 -0.346916407760973 985266 C1CN(CC2=CC=CC=C21)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)F 1 5.195 3 0 0.364960617704278 985248 C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CCC(=O)NC3=CC(=CC=C3)Cl 1 4.794 1 3 -1.0614776210468 985247 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.42 1 3 -3.46750890266258 985246 COC1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.072 1 3 -2.70128575095456 985207 C1COCCN1C(=S)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)F 1 4.643 2 1 -7.48351926618764 985162 CC1=C(SC=C1)/C=C\2/C(=C(N(C2=O)CC3=CN=CC=C3)C)C(=O)OC 1 2.562 2 3 -11.9807552304071 985158 COC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 3.113 2 6 0 -20.5816231222956 985034 CCN1CCN(CC1)C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C 1 2.445 6 2 0 -5.9790096543817 985029 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CC=C 1 2.007 6 3 0 -5.13171147212763 985005 CC1(OC(=O)C(=CC2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3)C(=O)O1)C(C)(C)C 1 4.011 1 6 0 -8.59491284173131 984966 C1=CC=NC(=C1)CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl 1 2.838 3 3 -10.8187001759844 984927 C1=CC=C(C(=C1)F)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=CO3 1 2.496 2 4 -13.2592529317501 984918 COC1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCOCC3 1 1.403 2 5 0 -9.60044996654967 984910 COC1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCCCC3 1 3.088 2 4 -8.03215351677408 984905 COC1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCC3 1 2.176 2 4 -7.677685002606 984893 C1=CC=NC(=C1)CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)F 1 2.379 3 3 -11.3370116241873 984885 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC(=C4)F 1 3.55 3 4 0 -3.09784203504292 984878 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC(=C4)F 1 3.566 3 3 -3.04357324756579 984873 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)F)C(=O)NCC3=CC=CO3 1 2.496 2 4 -11.285744705282 984863 C1CCCN(CC1)C(=O)CNS(=O)(=O)C2=C(C=CC=C2Cl)Cl 1 2.709 2 3 -9.17568467462156 984858 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=C(C=C3)F)Cl 1 2.565 3 3 -4.47121360739717 984852 CC1=NN=C(S1)SCC(=O)N2CCC(CC2)C3=NOC4=C3C=C(C=C4)F 1 2.65 4 2 -15.3986259250851 984844 C1CN(CCC1C2=NOC3=C2C=C(C=C3)F)C(=O)CSC4=NC5=CC=CC=C5C=C4 1 4.641 3 2 -4.68017297368063 984840 COC1=CC=C(C=C1)C2=NC(=NS2)NC(=O)CSC3=NN=C4N3C=CC=C4 1 3.082 6 2 0 -10.6866736141273 984716 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)N(C)C4CCCCC4 1 2.771 4 2 -13.822826245858 984696 C1CCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.135 2 3 -3.93236200900698 984693 C1=CC=NC(=C1)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl 1 2.838 3 3 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CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC(=C3)OC 1 3.579 2 4 -7.31945220111001 984502 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=CC=C3)Cl)OC 1 4.069 2 5 0 -12.8521998953093 984493 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=CC=C3)Cl 1 2.36 3 3 -4.10037354738204 984480 C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=CC=C3)Cl 1 3.32 2 3 -6.85740992225079 984452 C1=CC=NC(=C1)CNC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F 1 3.123 3 3 -9.04527877673432 984439 COC1=CC(=CC=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3 1 2.164 3 4 0 -12.5072580663033 984380 CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCCCCC3 1 4.084 2 3 -8.68788603587586 984387 CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCOCC3 1 2.398 2 4 -10.2561824856515 984432 COC1=CC(=CC=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC 1 3.335 3 5 0 -6.30562950572329 984429 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC(=C4)OC 1 3.335 3 5 0 -4.68598626733071 984423 COC1=CC(=CC=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.351 3 4 0 -4.54174142615677 984421 COC1=CC(=CC=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.263 3 4 0 -4.85262051275521 984417 CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC(=C3)OC 1 2.028 3 4 0 -7.30264106149145 984415 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC(=C3)OC 1 1.679 3 4 0 -5.69598515804059 984408 COC1=CC(=CC=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Cl 1 3.757 2 4 -5.49745351052319 984406 COC1=CC(=CC=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)Cl 1 3.757 2 4 -5.13418798280563 984403 COC1=CC(=CC=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.421 2 4 -5.83920141211824 984394 COC1=CC(=CC=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCC3=CC=CO3 1 2.281 2 5 0 -12.4559911473981 984376 CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCC3=CC=CO3 1 3.27 2 4 -12.5934614238398 984374 CC1=CC(=C(C(=C1C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C)C)C 1 3.64 3 3 -5.40080634698217 984373 CC1=CC(=C(C(=C1C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCOCC3)C)C 1 3.371 2 4 -9.72613917162652 984371 CC1=CC(=C(C(=C1C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCCCC3)C)C 1 4.6 2 3 -8.15784272185093 984361 CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3 1 3.153 3 3 -12.6447283427451 984358 CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC 1 4.377 2 5 0 -14.6826760089344 984353 CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.34 3 3 -4.67921170259851 984336 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3 1 3.581 3 3 -9.30021442286081 984331 CC(C)(C)C1=CC=C(C=C1)NC(=O)CNS(=O)(=O)C2=CC=CC(=C2)OC 1 2.761 2 4 -7.82967136576601 984329 C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CNS(=O)(=O)C4=CC(=CC=C4)Cl 1 4.05 3 3 -1.19110936807487 984326 CN1C2=CC=CC3=C2C(=C(C1=O)NC4CCCCC4)C5=CC=CC=C5C3=O 1 3.604 2 2 -2.03230312570876 984297 CC(=O)NC1=CC(=C2C=C(C(=CC2=C1)OC)OC)NCC3=CC=CC=C3 1 3.218 2 3 -7.65911460446431 984208 COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2CC3=CC=CC=C3 1 3.636 3 3 -5.27020078276069 984206 C1=CC(=CC=C1C2=NNC(=S)N2C3=CC=C(C=C3)Br)Br 1 5.175 3 0 -2.65563611325509 984203 COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)O 1 3.417 3 5 0 -13.915206552492 984200 CC1=CC(=C(C(=C1C)S(=O)(=O)NCC(=O)NC2=CC=CC=C2F)C)C 1 3.527 2 3 -11.3674778508326 984199 CC1=CC(=C(C(=C1C)S(=O)(=O)NCC(=O)NCC2=CC=CO2)C)C 1 2.511 2 4 -16.025207580324 984197 CC1=CC(=C(C(=C1C)S(=O)(=O)NCC(=O)NC2=CC=C(C=C2)F)C)C 1 3.527 2 3 -9.40074967835366 984194 C1=CC(=CC=C1N2C(=NN=C2SCC(=O)O)C3=C(C=C(C=C3)Cl)Cl)Cl 1 5.459 3 2 -7.80154412407794 984193 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.683 3 5 0 -8.53422033257399 984192 C1=CC(=CC=C1N2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl)Cl 1 5.671 3 0 -0.649192032726248 984191 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3 1 4.786 3 3 0.420322664709082 984190 C1=CC(=CC=C1N2C(=NNC2=S)COC3=CC=C(C=C3)Cl)Cl 1 4.842 3 1 -3.43696841410668 984185 C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5 1 3.423 4 4 0 -19.2407489832942 984115 CC1=NC2=C(S1)C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4 1 2.848 3 2 -7.15486822815284 984111 CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC3=C(C=C2)SC(=N3)C)C)C 1 4.607 2 2 -2.6564177261833 984098 C1CC2=C(C1)SC(=C2CN3CCOCC3)NC(=O)C4=CC=C(C=C4)F 1 3.295 2 2 -9.84463625073814 984068 CC1=C(SC(=C1CN2CCCCCC2)NC(=O)C3=CC=C(C=C3)F)C 1 4.685 2 1 -3.93891885343251 983999 CCOC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4 1 3.561 0 5 -2.9620295206928 983993 CCOC(=O)C1=C(SC2=C1CCC2)NS(=O)(=O)C3=CC=CC(=C3)OC 1 3.218 1 5 -14.337154165292 983975 COC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=N3 1 2.932 2 4 -5.27581858733109 983945 CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCCC(=O)NC3=CC=C(C=C3)F)C#N 1 4.658 3 2 -21.3556450613802 983936 CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)C4=CC=C(C=C4)OC 1 4.586 0 5 -8.74350856394571 983916 CC1=NC(=CS1)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C 1 4.538 3 1 -28.4356762785095 983914 CC1=NC(=CS1)CSC2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2CC=C 1 4.994 3 1 -28.7901447926775 983895 CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CSC(=N4)C)CC=C 1 4.213 3 2 -15.7019731814499 983889 CC(C)(C)C1=CC(=CC(=C1)NC(=O)CCSC2=NN=C3N2C=CC=C3)C(C)(C)C 1 5.373 4 1 -12.8996237349214 983887 CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=CC=C(C=C3)OC 1 4.451 2 2 -4.12835334318347 983834 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl 1 3.087 2 2 -7.82835308994567 983821 COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=CC=CC(=C3)F)OC 1 2.777 1 4 -16.0949316665224 983683 COC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C3=CN4C=CC=CC4=N3 1 3.32 3 2 -3.15439909924224 983672 COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=CN4C=CC=CC4=N3)OC 1 3.304 3 3 -9.36642856389085 983665 CC1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)NC(=O)CC4=CC(=C(C=C4)OC)OC 1 3.79 3 3 -9.20401142565264 983647 CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=CC=C(O3)Br 1 3.241 2 2 0.524567326948931 983644 CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.241 2 2 -1.80801964473126 983630 COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=CN4C=CC=CC4=N3 1 3.32 3 2 -5.38959184439765 983627 CC1=C(C(=O)OC2=CC(=CC(=C12)OCC(=O)OC)OCC(=O)OC)Cl 1 2.096 0 8 0 -10.3482705265555 983625 CC1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)OC 1 3.806 3 2 -4.93508395793788 983575 COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=CC(=C2OC)Cl)Cl)OC 1 4.222 1 4 -10.3764191457779 983569 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=CN4C=CC=NC4=N3 1 1.74 5 3 0 -3.09124631341072 983567 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O 1 1.618 2 5 0 -21.5145129310401 983539 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CN4C=CC=NC4=N3 1 2.62 4 2 -1.56165224539226 983525 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=CN4C=CC=NC4=N3 1 2.62 4 2 0.653326849795294 983430 CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)NNC(=O)C2=C(N=C3N2C=CC=C3)C 1 1.691 4 5 0 -11.3343045055612 983426 CC1=C(N2C=CC=CC2=N1)C(=O)NNS(=O)(=O)C3=C(C=CC(=C3)Br)OC 1 1.758 4 4 0 -9.50427148081592 983424 CC1=C(N2C=CC=CC2=N1)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C 1 2.426 4 3 0 -6.51252506849342 983406 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C3=CN4C=CC=CC4=N3)C 1 4.463 3 2 0.950208459939836 983405 CN1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C 1 1.73 6 2 0 -9.7682789455185 983404 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=C(C=C4)F 1 1.194 6 2 0 -15.496757692801 983395 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC4=CC=C(C=C4)F 1 3.471 5 2 0 -14.6037130982705 983393 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC4=CC=C(C=C4)F 1 3.15 5 2 0 -16.1582169564418 983343 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)OC)OC 1 1.869 4 6 0 -17.2906288204286 983342 C1CC(=O)N(C1)C2=C(C(=C(C=C2Br)Br)N)Br 1 2.91 2 1 -5.70083565100187 983316 C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)C3=CN4C=CSC4=N3 1 2.941 3 2 2.62313129296644 983284 CC1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=CN4C=CSC4=N3 1 3.222 3 2 1.78539484729795 983268 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CCO)CC4=CC=CC=C4Cl 1 1.649 6 3 0 -10.16542833376 983261 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCO)CC4=CC=CC=C4 1 0.779 6 3 0 -3.72264489232062 983224 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCO)CC4=CC=CC=C4Cl 1 1.443 6 3 0 -3.68613483140195 983222 CCC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(N(C4=CC=CC=C4C3=O)CC)O 1 3.02 4 4 0 -5.2774962351568 1005290 C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=O)N2)C3=CC(=CC=C3)Cl)OCC4=CC=C(C=C4)C(=O)O 1 4.38 2 5 0 -0.70000985161372 1005314 C1=CC(=CC(=C1)N2C=CC=C2/C=C/3\C(=O)N(C(=O)N3)C4=CC(=CC=C4)Cl)C(=O)O 1 3.981 3 4 0 0.574920203346912 1005278 CC1=NC2=C(C(=C1)C3=CC=CS3)C(=C(S2)C(=O)C4=CC(=C(C=C4)OC)OC)N 1 4.41 2 3 -9.25958159660891 1005277 CC1=NC2=C(C(=C1)C3=CC=CS3)C(=C(S2)C(=O)C4=CC=C(C=C4)OC)N 1 4.427 2 2 -4.67658834319359 1005240 COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C#N)N)C4=CC=CS4 1 4.566 3 1 1.89995388368193 1005239 C1=CSC(=C1)C2=NC3=C(C(=C2)C4=CC=C(C=C4)Cl)C(=C(S3)C#N)N 1 5.247 3 0 4.13491878341288 1005238 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(CCC3)C(=C2C#N)C4=CN=CC=C4 1 2.846 5 2 0 -22.570286294985 1005223 COC1=CC=C(C=C1)OP(=O)(C)NC2=CC(=CC=C2)Br 1 3.106 1 3 6.26273835472151 1005211 COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)O)OC 1 3.977 2 4 -12.7145263918568 1005195 C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)F 1 2.305 3 3 -9.39047059231355 1005171 CN1CCC2=C(C1)C=C(C(=N2)SCC3=CC(=CC=C3)Br)C#N 1 4.261 3 0 -9.44275348039695 1005162 C1CC2=C(C1)SC(=C2C#N)NC(=O)CSC3=C(C=CC(=N3)C4=CC=C(C=C4)F)C#N 1 5.02 4 1 -20.8417890988136 1005161 C1CC2=C(C1)SC(=C2C#N)NC(=O)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)C#N 1 5.757 4 1 -20.5344413766955 1005151 C1CCCC2=C(CC1)C=C(C(=N2)SCC(=O)NC3=C(C4=C(S3)CCC4)C#N)C#N 1 5.3 4 1 -29.6319201911348 1005145 C1CC2=C(C1)N=C(C(=C2)C#N)SCC(=O)NC3=C(C4=C(S3)CCC4)C#N 1 3.932 4 1 -28.8223197432692 1005096 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3C4=CC=CC=C4N=N3 1 4.964 4 2 -8.68997339024533 1005091 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=NC=CS3 1 3.487 3 2 -14.614529313177 1005088 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCN(CC3)CC4=CC=CC=C4 1 4.66 3 2 -9.05939798652017 1005085 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 4.748 3 2 -8.88369145341827 1005083 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F 1 4.954 3 2 -7.813117006286 1005077 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCCC4=CC=CC=C43 1 4.562 2 2 -10.5793793296212 1005075 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 4.748 3 2 -1.24478654626682 1005063 CCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C(=O)N(CC)CC3=CC=CC=C3 1 4.522 2 2 -10.1010009961883 1005047 CN1CCC2=C(C1)C(=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C#N)C4=CC=CS4 1 6.157 4 2 -12.800553964127 983212 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC4=CC=CC=C4 1 3.266 5 2 0 -16.4234364905636 983208 CC1=CC(=CC=C1)CN2C3=C(N=C2N(C)CC4=CC=CC=C4)N(C(=O)NC3=O)C 1 3.431 5 2 0 -3.5591212090242 983185 CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)CCO)N(C(=O)NC3=O)C 1 1.265 6 3 0 -2.10118518774764 983132 CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)NC3=O)C 1 1.805 6 2 0 -3.19421766883234 983116 CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)N(C3=O)C)C 1 2.011 6 2 0 -9.67351117119036 983096 CN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)N(C(=O)N3C)C 1 2.189 6 2 0 -11.2584608148447 983012 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)F)OC 1 3.48 2 5 0 -0.121851735739075 982971 CCC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)C 1 5.775 2 1 -8.66769542147793 982968 CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C 1 1.966 3 5 0 -22.2741822613106 982966 COC1=C(C=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)F)S(=O)(=O)C)OC 1 1.756 2 5 0 -16.3058756962842 1004986 COC1=CC(=C(C=C1C=NNC(=O)C2=NON=C2N)OC)Br 1 1.424 5 4 0 -13.1653095837925 1004981 CC(=O)OCC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)Cl)OC 1 3.105 2 4 -8.30940276480169 1004975 C1=CC=C(C(=C1)C=NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3Cl)F 1 4.593 2 3 -5.58435620618535 1004973 CC1=CC=CC=C1C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)C(C)(C)C 1 4.9 3 1 -6.80531200537948 1004954 COC1=C(C=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)Br)COC3=CC=CC=C3[N+](=O)[O-] 1 4.579 3 6 0 -6.89607401864545 1004945 CC1=CC(N(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)Br)(C)C 1 4.505 1 3 -6.55394236659846 1004933 CCC(=NNC(=O)C1=CC=CC=C1Cl)C2=CC=C(S2)Br 1 4.516 2 1 -6.39049329459528 1004928 COC1=C(C=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)Cl)COC3=CC=CC=C3[N+](=O)[O-] 1 4.495 3 6 0 -5.43941427354401 1004926 C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)Cl 1 4.853 1 2 -6.22840413177816 1004913 CC(=O)OCC1=C(C=CC(=C1)C=NNC(=O)C2=C(C=C(C=C2)Cl)Cl)OC 1 3.77 2 4 -6.09682005894972 1004909 CC(=NNC(=O)C1=CC(=CC=C1)F)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F 1 3.859 3 2 -8.43967768416275 1004903 CC1=CC=C(O1)C(=O)NC2=CC=CC(=C2)C(=NNC(=O)C3=CC=CO3)C 1 2.384 3 4 0 -7.3525408200678 1004897 CC(=O)CSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C 1 2.72 4 3 0 -14.2175884567569 1004846 COC1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)COCC(C(F)F)(F)F 1 3.475 2 3 -9.49318447176611 1004836 CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=NNC(=S)N)OC 1 2.889 4 3 0 -12.7226219125233 1004828 CC(=NNC(=O)C1=CC=C(C=C1)O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Cl 1 3.87 3 3 -4.18403826019068 1004815 C1COCCN1C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CC=C4 1 2.522 4 2 -13.9855440387495 1004812 C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)COC3=CC=CC=C3Cl 1 4.853 1 2 -8.83410643901146 1004758 CC(C)OC1=C(C=C(C=C1C=NNC(=S)N)Br)Br 1 4.006 3 1 1.16457397577198 1004752 COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)COC3=CC=CC=C3Cl 1 4.701 1 4 -11.9444664056417 1004731 CC(=NNC(=O)C1=CC=C(C=C1)OC)C2=CC(=CC=C2)NC(=O)C(F)(F)F 1 2.856 3 3 -9.11164322730063 1004705 C1=CC=C(C=C1)CNC(=O)/C(=C/C2=C(NN=C2)C3=CC=C(C=C3)Cl)/C#N 1 3.846 4 1 -10.7969297547092 1004700 COC1=C(C=CC(=C1)C=NNC(=O)C2=CSC3=C2CCCC3)OCCN4CCOCC4 1 3.522 3 4 0 -10.5427986792657 1004689 COC1=CC=C(C=C1)C2=C(C=NN2)/C=C(/C#N)\C(=O)NC3CCCCCC3 1 3.896 4 2 -12.8031499612144 1004683 COC1=CC=C(C=C1)C2=C(C=NN2)/C=C(/C#N)\C(=O)NC3CCCCC3 1 3.44 4 2 -12.8031499612144 1004501 COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SCC(=O)NCC4=CC=CC=C4 1 5.684 3 2 -18.4037498758451 1004498 COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SCC(=O)NCC4=CC=CC=C4OC 1 5.668 3 3 -19.9473861623661 982954 COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C(=S)N3)C4=CC=CC=C4)OC 1 4.99 2 3 -4.36304609146764 982920 CC1=NC(=C2C3=C(CCC3)SC2=N1)N4CCN(CC4)C5=CC=CC=C5 1 4.325 4 0 -4.02979124418567 982918 CCC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SC4=NN=NN4C5=CC=CC=C5 1 5.204 6 0 -18.1072179558515 982898 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=CS3)CC=C)C 1 4.48 2 2 -26.16843998417 982895 CC(C)CNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 2.775 3 3 -13.3950247465107 982889 CC1=C(C(=NO1)C)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C 1 4.488 3 2 -36.1558360148893 982887 CCC1=NC(=C2C3=C(CCC3)SC2=N1)N4C(=C(C=N4)C(=O)OCC)N 1 3.009 5 2 0 -13.8285620945658 982879 C=CCN1C(=O)C2=C(N=C1SCCN3C(=O)C4=CC=CC=C4C3=O)SC=C2C5=CC=C(C=C5)F 1 5.044 3 3 -15.2091622974676 1004422 C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C=C3)C#N)SCC(=O)OCC4=CC=CC=C4 1 4.644 2 4 -11.0362576208052 1004390 COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCCC3=CC=CC=C3 1 4.534 3 2 -11.8092949460668 1004339 COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCC3=CC=CO3)OC 1 3.378 3 4 0 -19.0581308777707 1004366 COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC)OC 1 2.252 1 6 0 -8.99676329472839 1004321 COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCCC3=CC=CC=C3)OC 1 4.517 3 3 -17.127905596142 1004317 COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)OCC3=CC=CC=C3)OC 1 4.843 2 4 -13.5930455968923 1004190 C1=CC=C(C=C1)N2C=CC=C2/C=C/3\C(=O)N(C(=O)N3)C4=CC(=CC=C4)Cl 1 4.351 3 2 3.15688654770892 1004188 CCN(CC)C1=CC=C(O1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=C(C=C(C=C3)OC)OC 1 3.892 3 5 0 -5.10453827087574 1004173 CC1=CC(=C(N1C2=CC=CC=N2)C)/C=C/3\C(=O)N(C(=O)N3)CC4=CC=CC=C4F 1 3.287 4 2 -6.66460587182487 1004128 CC(C)N1C=C(C2=CC=CC=C21)/C=C/3\C(=O)N(C(=O)N3)C4=CC(=CC=C4)Cl 1 4.409 3 2 0.829052118121979 1004092 COC1=CC=C(C=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)C4=CC(=CC=C4)OC)N 1 4.603 2 3 -1.90214992311326 1004085 COC1=CC=C(C=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)C4=CC(=C(C=C4)OC)OC)N 1 4.586 2 4 -5.65357321070831 1004023 CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)N2CC(=O)OC)C3=CC=C(C=C3)OC)OCC 1 4.504 2 6 0 -14.1739482753762 1004016 C1CCC(=CC1)CCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br 1 4 2 2 -12.8936611036366 1004010 C1CCCC(CC1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br 1 3.987 2 2 -7.28329853161353 1004009 CC(C)NC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.168 2 2 -9.5339075885263 1003988 CC1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.33 2 3 -16.5597562193588 1003984 C1CCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl 1 2.622 2 3 -13.4462922928565 1003958 COC1=CC=CC(=C1OCC(=O)NC2=CC=CC=C2)/C=C/3\C(=O)NC(=O)N3 1 1.34 3 5 0 -14.4050597594953 1003839 COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)OC 1 2.306 2 7 0 -8.99618151118927 982844 CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=NN2C3=CC=CC=C3)C 1 3.277 5 3 0 -21.520282819674 982808 C1COCCN1CCNC2=NN3C(=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5)C6=CC=CC=C62 1 3.094 5 2 0 0.998137009921749 982780 CCN1C2=C3C(=C(C=C2)S(=O)(=O)N(C4=CC=C(C=C4)OC)C(=O)C5=CC=NC=C5)C=CC=C3C1=O 1 3.222 3 5 0 -11.1137354548847 982778 CCN1C2=C3C(=C(C=C2)S(=O)(=O)N(C4=CC=C(C=C4)OC)C(=O)C5=CN=CC=C5)C=CC=C3C1=O 1 3.222 3 5 0 -11.9595228352333 982775 CN1C2=C3C(=C(C=C2)S(=O)(=O)N(C4=CC=C(C=C4)OC)C(=O)C5=CN=CC=C5)C=CC=C3C1=O 1 2.874 3 5 0 -10.169884828013 982774 CCOC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=CC=C3 1 2.769 5 2 0 -25.0612132602634 982773 CN1C2=C3C(=C(C=C2)S(=O)(=O)N(C4=CC=C(C=C4)OC)C(=O)C5=CC=NC=C5)C=CC=C3C1=O 1 2.874 3 5 0 -9.32409744766444 982764 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCC2)C3=C(C=C4C(=C3)C5=CC=CC=C5O4)OC 1 4.679 2 5 0 -15.9713964261411 982761 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(C)C)C2=C(C=C3C(=C2)C4=CC=CC=C4O3)OC 1 3.762 2 5 0 -13.0097868701651 982743 CC(C)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)/C=C(/C4=CC=CC=C4)\C(=O)O 1 4.91 3 4 0 -5.35618310674463 982736 CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6 1 4.887 4 2 -0.408972069069406 982723 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3NC(=O)CCC(=O)O 1 2.503 3 4 0 -10.7031572500703 982708 CC1=CC(=O)OC2=C1C=CC(=C2)OCCN3CCN(CC3)C4=CC=C(C=C4)OC 1 4.081 2 4 0.915730070367259 982706 CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C)C 1 5.635 3 4 0 -21.7905553332293 982691 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 4.438 1 4 -14.860861103252 982681 COC(=O)NC1=NC(=C(S1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.897 2 3 0.168704443086378 1003792 COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)N2)OCC(=O)NC3=CC=C(C=C3)F 1 1.545 3 5 0 -17.6241151926389 1003789 C1=C(C=C(C(=C1Cl)OCC(=O)O)Br)/C=C/2\C(=O)NC(=O)N2 1 1.614 2 5 0 -13.46984570016 1003709 CC(=C)C1=CC=CC=C1NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.448 2 4 -8.73340372781127 1003697 CC1CCN(CC1)C(=O)CN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C3=CC=CC=C3 1 3.93 2 3 -17.2350943161743 1003680 CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl 1 4.374 3 2 -7.02565578015032 1003502 COC1=CC=C(C=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)CC(=O)O 1 2.348 1 5 -20.4298302871741 1003495 C1=CC=C(C(=C1)C=NNC(=O)CSC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O 1 4.014 2 3 -8.0823175017683 1003480 CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)N(C4=C2C(=O)CC(C4)(C)C)CC(=O)O)OCC 1 3.945 1 6 0 -28.0624921907284 982637 C1=CC=C2C(=C1)N=NN2C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)Br 1 5.305 5 0 -0.649661661327044 982636 CN(C1=CC=CC(=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C 1 2.895 2 4 -7.55987072235745 982631 CCN1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC(=C(C=C4)C)C 1 4.61 4 0 5.9312943787092 982623 CC(C)C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C 1 4.483 4 0 5.3049652646199 982621 CC(C)C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)OC4=CC=CC(=C4)NC(=O)C 1 5.044 3 2 0.473051712817463 982618 C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=C(C=C5)F 1 4.775 3 4 0 -25.2220314011652 982612 COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C5=CC=CC=C5OC 1 4.928 4 2 3.01488376511908 982600 COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=NN2C3=CC=CC=C3)OC 1 2.732 5 3 0 -28.2624258178127 982584 CN(C1=CC=CC(=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C)S(=O)(=O)C 1 0.905 3 5 0 -13.0518553400979 982581 CC1=CC(=C(C(=C1)C)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)C 1 5.805 2 1 -7.04690028789743 982568 CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)OC4=CC=CC(=C4)NC(=O)C 1 4.336 3 2 0.189592016165828 982534 CC1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5 1 5.09 4 1 1.97066334887806 982532 CC1=C(C2=C(N=CN=C2S1)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5 1 5.018 4 0 4.68440475176341 982524 C=CCN1C(=O)C2=C(N=C1SCCN3C(=O)C4=CC=CC=C4C3=O)SC=C2C5=CC=CC=C5 1 4.839 3 3 -16.5639687362604 982506 COC1=CC(=C(C=C1)OC)N(CC(=O)N2CCCCC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC 1 2.64 2 7 0 -20.8114172763005 982496 CC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 1 5.164 2 3 -9.01173855568884 982464 CC1=CC(=NO1)NC(=O)CSC2=NC(=NC3=C2C4=C(S3)CCC4)C 1 2.85 4 2 -27.8748598815866 982406 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4Cl 1 1.447 6 2 0 -9.62314787865709 982331 CN(CC(=O)N1CCC(CC1)C(=O)N)S(=O)(=O)C2=CC=C(C=C2)OC 1 -0.33 3 5 0 -10.5108038410556 982330 CN(CC(=O)NC1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC=C(C=C3)OC 1 1.352 2 6 0 -14.1305533526267 1003225 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C/3\C(=O)NC(=S)N(C3=O)CC=C 1 2.602 4 2 -10.3706674998165 1003221 CCOC(=O)C1=C(N2C(=C(C=N2)C3=CC(=CC=C3)Br)N=C1)C 1 2.856 3 2 -4.28608100637392 1003204 C1=CN(C(=C1)C=NNC(=O)C2=CC3=C(O2)C=CC(=C3)Br)C4=CC=C(C=C4)C(=O)O 1 4.824 3 4 0 -0.423711487897038 982324 CN(CC(=O)NC1=C(C=CC=C1F)F)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.977 2 4 0 -9.79298703910844 982320 CN(CC(=O)NC1=CC=C(C=C1)F)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.772 2 4 0 -9.01680560833113 982215 COC1=CC(=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)OC 1 1.714 2 5 0 -13.3204729013809 982218 COC1=C(C=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C)OC 1 1.557 2 5 0 -17.6277283490134 982223 CC(=O)C1=CC(=CC=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 1.33 2 4 0 -14.9659677496264 982228 CCOC(=O)C1CCN(CC1)C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 0.895 2 5 0 -14.9147743102796 982232 CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 1.76 3 3 0 -8.33506927090817 982254 CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)NCC2=CC=CC=C2Cl 1 2.261 2 3 -17.6482676865907 982246 CCOC(=O)N1CCN(CC1)C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 0.428 3 5 0 -12.0207624841874 982244 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN(CC3=CC=CC=C3)S(=O)(=O)C 1 1.832 3 4 0 -7.8828217362634 982241 COC1=CC=CC=C1N2CCN(CC2)C(=O)CN(CC3=CC=CC=C3)S(=O)(=O)C 1 1.832 3 4 0 -9.83223264774985 982199 C1CN(CCN1/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4 1 2.509 4 4 0 -3.46934395714726 982178 C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=CC=C3NC(=O)N 1 1.691 3 3 0 -2.67703055447347 982175 CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4C(=O)O 1 3.774 3 4 0 -8.42813708276231 982168 CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4C(=O)O 1 3.774 3 4 0 -7.59654376334052 982166 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3C(=O)O 1 3.012 2 5 0 -9.45012692451654 982164 COC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3C(=O)O 1 3.012 2 5 0 -11.6475998236673 982029 CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC(=CC=C3)OC)C 1 2.906 0 5 -2.39935557175167 981950 C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=N2)Br)Br 1 4.651 3 1 -6.02783228142027 981927 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC=C(C=C4)OC)CC=C 1 3.281 4 2 -16.7931041495701 981844 CC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCC(=O)O 1 3.073 3 3 -6.78370238794512 981738 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3 1 2.581 4 2 -19.7892995195346 981736 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CC3=C(NC4=CC=CC=C4C3=O)O 1 4.228 2 3 -9.98374891427425 981687 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)F 1 3.427 3 2 -16.9649651528436 981653 C1CN(CCN1CC(=O)NC2=CC=CC=C2Br)C3=CC=C(C=C3)F 1 3.539 3 1 -1.85687641383474 981647 CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)/C=C(\C4=CC=CC=C4)/C(=O)O 1 4.95 3 3 2.4284103243897 981640 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)SCC(=O)O)C4=CC=C(C=C4)Br 1 4.394 4 3 0 -17.839074709021 981621 COC(=O)NC1=CC=CC=C1C(=O)N2CCC(CC2)(C3=CC=C(C=C3)Cl)O 1 2.544 2 4 -5.13735552091942 981616 CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)OC 1 3.123 3 3 -7.26728623811868 981609 C1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(S2)N)C3=CC=C(C=C3)Br 1 4.003 2 2 1.89528363164176 981606 C1CCN(CC1)C2=NC(=C(S2)C(=S)NC3=CC=C(C=C3)Cl)N4CCOCC4 1 4.787 4 1 -1.46197756498506 981542 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3S(=O)(=O)N 1 1.456 3 5 0 -7.12355502881469 981529 C=CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3S(=O)(=O)N 1 2.073 3 5 0 -11.542335808278 981211 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 3.938 1 8 0 -21.9428122176807 981132 CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN(C)C)O)CN(C)C)C3=CC=CC=C3 1 4.052 2 4 6.53431749992422 981111 C1=CC(=CC=C1CC2=CC=NC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl 1 3.806 2 2 -6.12315986662398e-002 981096 CC1=CC(=C(C(=C1)Br)NC(=O)CN2CCCC2)Br 1 3.4 2 1 -3.1878650502161 981045 CCN1C2=C(N=C1SCCN3CCOCC3)N(C(=O)N(C2=O)C)C 1 1.158 5 3 0 -16.948935639 981032 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCC4=CC=CC=C4 1 1.576 5 3 0 -16.3270536458019 980996 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC=C(C=C3)OC 1 2.015 4 4 0 -14.3364251815349 980877 CCN1C2=C(N=C1SCCN3CCCCC3)N(C(=O)N(C2=O)C)C 1 2.388 5 2 0 -14.5503294280879 980769 C1=CC=C(C=C1)COC(=O)NCC(=O)OC2=CC3=C(C=C2)C=CC(=O)O3 1 2.953 1 6 0 -13.2109822375757 980701 CC1=CC=C(C=C1)CN2C3=C(N=C2SCCN4CCCCC4)N(C(=O)NC3=O)C 1 3.903 5 2 0 -9.88774359357199 980643 C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O 1 1.107 2 6 0 -11.822386504281 980623 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 2.944 4 2 -11.2901677197901 980571 CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC3=CN(N=C3)C4=CC=CC=C4)OC5=CC=CC=C5F 1 5.165 2 4 4.89663691011031 980567 C1=CC=C(C=C1)N2C=C(C=N2)COC3=CC4=C(C=C3)C(=O)C(=CO4)OC5=CC=CC=C5F 1 4.651 2 4 2.9084002296806 980466 CCOC(=O)C1=CC=C(C=C1)N2CN(CNC2=S)CCC3=CC=CC=C3 1 4.896 3 2 -8.88294036890844 980461 C1=CC=C2C(=C1)N=C(S2)COC3=CC=C(C=C3)NC(=O)CCCC(=O)O 1 3.096 2 4 -11.4665407704901 980413 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC=CO3 1 4.535 2 4 -19.3974865025487 980411 C1COCCN1C2=NC(=O)N(C=C2)C3=C(OC(=N3)C4=CC=CC=C4)C5=CC=CC=C5 1 3.096 4 3 0 4.21715122252009 980359 C1COCCN1CCNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl 1 3.346 2 2 -2.72400722548474 980325 CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=NC=CS3)C4=CC=CC=C4 1 3.773 5 1 -13.117876379461 980323 C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)NC4=NC=CS4 1 3.165 6 1 0 -22.878226390543 980320 CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)CSC3=NN=NN3C 1 3.742 5 1 -19.0063870173363 980315 CN1C(=NN=C1SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=NC=C4 1 2.064 6 1 0 -8.49771868272374 980314 CC(=O)NC1=NN=C(S1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 1.314 5 2 0 -16.3161446680858 980311 CCCC(=O)NC1=NN=C(S1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.525 5 2 0 -22.3201475808732 980307 CC1=NC(=NC=C1)SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 2.956 4 1 -4.77144308188448 980304 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)N 1 3.414 6 1 0 -4.02719601826661 980289 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N 1 1.611 6 2 0 -14.4517674884115 980288 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(S3)C 1 3.807 3 2 -17.2412837439735 980283 C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)Cl 1 2.025 3 4 0 -10.6037051444207 980280 CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=NN3C)C 1 3.564 5 1 -19.9101630138188 980277 CN1C(=NN=N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Br 1 3.34 5 1 -19.1560600695034 980276 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=NN3C 1 2.924 5 2 0 -20.7005883758409 980270 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C)C4=CC=NC=C4)C 1 4.598 5 1 -13.969413526846 980269 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C)C4=CC=NC=C4 1 4.112 5 1 -11.2973822246444 980268 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl 1 4.144 4 2 -10.4421884449172 980264 COC1=C(C=C(C=C1)Br)C2NC3=CC=CC4=C3C(=CC=C4)N2 1 4.689 2 1 5.4896797651663 980260 CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(S3)C)C 1 4.447 3 1 -16.6391549762852 980259 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(S3)C 1 3.96 3 1 -16.2503909774551 980252 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)CSC3=NC=CC=N3 1 3.449 3 3 -12.3639761708175 980222 C1=CC(=C(C=C1Br)Cl)NC(=O)CSC2=NC=NC3=C2NC=N3 1 2.892 5 1 -8.55353549043824 980218 CN1C(=NN=N1)SCC(=O)NC2=C(C=C(C=C2)Br)Cl 1 2.272 5 1 -17.0369561902903 980197 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)COC4=CC=C(C=C4)Cl 1 2.863 3 5 0 -14.4116725249596 980192 CN1CCN(CC1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4F 1 3.21 4 2 -13.1171760982275 980180 CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC(=C(C=C3)N4CCOCC4)Cl 1 4.391 4 3 0 -14.9044160125153 980173 CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCCC3 1 2.967 3 2 -19.1557207632569 980164 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NC=NC3=C2NC=N3 1 2.421 5 1 -11.5922435219179 980159 COC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.347 3 5 0 -16.4342340521713 980156 CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3NC=N4)C 1 4.183 5 1 -13.5712439720928 980133 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CN(N=C2C3=CC=CO3)C4=CC=CC=C4)C(=O)OC 1 3.44 3 5 0 -7.00180370191925 980118 CCOC(=O)C1=C(NC(=C(C1/C=C/C2=CC=CC=C2)C(=O)OCC)C)C 1 3.037 1 4 -12.6645624371258 980080 CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NCC3=CC=CO3 1 1.353 5 3 0 -20.1922694266713 980050 CN(C)C(=O)CSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O 1 2.871 3 3 -13.829336831962 980044 CS(=O)(=O)NC1=CC=CC=C1N=C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.982 2 2 -5.16094437457202 980029 CC1=CC=C(C=C1)N2C3=NN=C(C(=O)N3C(=N2)C(=O)OC)CC4=CC=CC=C4 1 3.361 5 3 0 -9.06302848272319 980027 CC1=CC(=CC=C1)N2C3=NN=C(C(=O)N3C(=N2)C(=O)OC)CC4=CC=CC=C4 1 3.361 5 3 0 -8.20118305596256 980025 CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)C3=CC=CC=C3)C4=CC=CC(=C4)C 1 3.501 5 3 0 -4.60488968045304 980018 CCOC(=O)C1=NN(C2=NN=C(C(=O)N12)CC3=CC=C(C=C3)C)C4=CC=CC(=C4)C 1 4.196 5 3 0 -8.59640634061616 980017 CCOC(=O)C1=NN(C2=NN=C(C(=O)N12)CC3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl 1 4.374 5 3 0 -7.26902869964357 980016 CCOC(=O)C1=NN(C2=NN=C(C(=O)N12)CC3=CC=C(C=C3)C)C4=CC=CC=C4 1 3.71 5 3 0 -9.35233058537263 980015 CCOC(=O)C1=NN(C2=NN=C(C(=O)N12)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4 1 3.888 5 3 0 -7.5303318947858 980013 CCOC(=O)C1=NN(C2=NN=C(C(=O)N12)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 3.888 5 3 0 -8.08384360442317 980012 CCOC(=O)C1=NN(C2=NN=C(C(=O)N12)CC3=CC=CC=C3)C4=CC=CC=C4 1 3.223 5 3 0 -10.4601769522005 980010 CC1=CC=C(C=C1)CC2=NN=C3N(N=C(N3C2=O)C(=O)OC)C4=CC=CC(=C4)C 1 3.847 5 3 0 -7.75359252832935 980009 CC1=CC=C(C=C1)CC2=NN=C3N(N=C(N3C2=O)C(=O)OC)C4=CC=CC=C4 1 3.361 5 3 0 -8.50951677308582 980006 CC1=CC(=CC=C1)N2C3=NC(=CC(=O)N3C(=N2)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5 1 4.242 5 2 0 -4.67775355645912 980005 C1=CC=C(C=C1)C2=C(C(=O)N3C(=NN(C3=N2)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5)C#N 1 3.595 6 2 0 -5.45613148047187 979998 C1=CC=C(C=C1)C2=CC(=O)N3C(=NN(C3=N2)C4=CC(=CC=C4)Cl)C(=O)C5=CC=CC=C5 1 5.04 4 2 -1.66147582719798 979996 CC1=CC=C(C=C1)N2C3=NC(=CC(=O)N3C(=N2)C(=O)C4=CC=CC=C4)C5=CC=CC=C5 1 4.861 4 2 -4.58585899288213 979990 CC1=CC=C(C=C1)N2C3=NN=C(C(=O)N3C(=N2)C(=O)C4=CC=CC=C4)CC5=CC=CC=C5 1 4.91 5 2 0 -8.38716402074011 979987 C1=CC=C(C=C1)CC2=NN=C3N(N=C(N3C2=O)C(=O)C4=CC=CC=C4)C5=CC=CC=C5 1 4.423 5 2 0 -8.94149867793058 979985 CC1=CC=C(C=C1)CC2=NN=C3N(N=C(N3C2=O)C(=O)C4=CC=CC=C4)C5=CC=CC(=C5)C 1 5.396 5 2 0 -6.88209083082281 979983 CC1=CC=C(C=C1)CC2=NN=C3N(N=C(N3C2=O)C(=O)C4=CC=CC=C4)C5=CC=CC=C5 1 4.91 5 2 0 -7.83365231110274 979929 COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)Br)CNC3CCCC3 1 4.121 2 3 -5.10686260066418 979927 CC(C)CNCC1=CC(=C(C=C1Br)OCC(=O)NCC2=CC=CC=C2)OC 1 3.918 2 3 -13.8841771063539 979893 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)Cl 1 2.483 3 3 -14.9942834195811 979888 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CC4=CC=CC=C43 1 2.692 3 3 -14.1408673322333 979886 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4C=C3 1 2.692 3 3 -13.6351994265303 979883 CC1=CC=CC=C1COC2=C(C=C(C=C2)CNC3=CC=C(C=C3)NC(=O)C)OC 1 4.379 2 3 -11.1163239348275 979878 CCN1C(=NN=N1)NCC2=CC(=C(C=C2)OCC3=C(C=CC=C3Cl)F)OC 1 3.371 5 2 0 -22.6719506019111 979876 CCN1C(=NN=N1)NCC2=CC(=C(C=C2)OCC3=C(C=C(C=C3)F)Cl)OC 1 3.371 5 2 0 -19.3568253489523 979869 CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC=C(O3)Br 1 3.71 3 2 -3.59480374380695 979852 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.314 3 3 -21.8045990032917 979832 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)Br 1 1.747 3 4 0 -16.5771817438516 979829 CC1=CSC(=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)N1C4=CC=CC=C4 1 3.022 4 1 -16.4985150789166 979827 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(N=CC=C3)Cl 1 1.507 4 3 0 -14.0763269728587 979820 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4O3 1 2.379 3 4 0 -11.1159331208657 979812 CC1=C(C(=NN1C(=O)C2=CC=CO2)C)SC3=CC=C(C=C3)Br 1 4.618 2 2 0.873330814853321 979811 C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Cl)CNC3=CC=C(C=C3)S(=O)(=O)N)F 1 4.364 2 3 -4.23766114811859 979809 C1=CC(=CC=C1COC2=C(C=C(C=C2)Cl)CNC3=CC=C(C=C3)S(=O)(=O)N)F 1 4.364 2 3 -2.42254574317971 979804 COC1=CC=CC(=C1OCC2=CC=CC=C2F)CNC3=CC=C(C=C3)S(=O)(=O)N 1 3.683 2 4 -9.19973669564243 979802 C1=CC=C(C(=C1)CNC2=CC=C(C=C2)S(=O)(=O)N)OCC3=CC=CC=C3F 1 3.699 2 3 -8.2965318280836 979801 C1=CC=C(C(=C1)CNC2=CC=C(C=C2)S(=O)(=O)N)OCC3=CC=C(C=C3)F 1 3.699 2 3 -6.4169741375652 979800 COC1=C(C=CC(=C1)CNC2=CC=C(C=C2)S(=O)(=O)N)OCC3=CC=CC=C3F 1 3.683 2 4 -11.7697061321466 979782 COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)OC 1 4.597 2 3 -4.18278902256761 979779 COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3 1 4.581 2 4 -3.10459360550497 979778 COC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3 1 4.614 2 2 0.375215117894658 979776 COC1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3 1 4.614 2 2 -0.270011058891087 979773 COC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3 1 4.614 2 2 -1.67073607645183 979768 CCN1C(=NN=N1)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC 1 2.089 5 5 0 -19.4014923583956 979757 CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)OC3=CC=CC=C3F)CN(C)C)O 1 4.145 1 4 6.30928143631147 979756 C/C=C/C1=CC(=C(C=C1)OC2=NN=NN2C3=CC=C(C=C3)C(=O)N)OC 1 2.758 5 3 0 -13.1982207318091 979743 COC1=C(C=CC(=C1)CNC2=CC=C(C=C2)S(=O)(=O)N)OCC(=O)NC3CCCCC3 1 2.812 3 5 0 -19.1889112155366 979742 CCOC1=C(C=CC(=C1)CNC2=CC=C(C=C2)S(=O)(=O)N)OCC(=O)NC(C)(C)C 1 2.234 3 5 0 -22.573760719933 979681 CCOC1=C(C(=CC(=C1)CNC2=CC3=C(C=C2)OCCO3)Br)OC 1 4.072 1 4 -8.26228107126203 979678 CCOC1=C(C(=CC(=C1)CNC2=CC3=C(C=C2)OCCO3)Br)OCC 1 4.421 1 4 -9.30528488595693 979677 CCOC1=C(C=C(C=C1Br)CNC2=CC3=C(C=C2)OCCO3)OC 1 4.072 1 4 -8.30017388919793 979675 CCOC1=C(C=C(C=C1)Br)CNC2=CC3=C(C=C2)OCCO3 1 4.088 1 3 -4.85644368448268 979664 CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)N3CCCC3)Cl)OC 1 4.825 2 2 -2.81261792093274 979661 CCOC1=C(C=C(C=C1Cl)CNC2=CC=C(C=C2)N3CCCC3)OC 1 4.825 2 2 -3.92631282351377 979651 CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)Br)OC 1 3.665 3 3 -7.24250398863416 979647 CCOC1=C(C=C(C=C1Br)CNC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)OC 1 3.665 3 3 -7.28039680657006 979629 COC1=CC=CC=C1C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 1 2.347 3 5 0 -17.7875741995709 979627 CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)Cl 1 3.182 3 3 -5.70782655234821 979607 COC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)N3CCOCC3)Br)OC 1 3.787 2 3 -3.83075307386776 979600 CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)N3CCOCC3)Br)OCC 1 4.485 2 3 -6.69093978893939 979593 CCOC1=C(C=C(C=C1Br)CNC2=CC=C(C=C2)N3CCOCC3)OC 1 4.136 2 3 -5.68582879218039 979576 CCOC1=C(C(=CC(=C1)CNC2=CC3=C(C=C2)OCCO3)Br)OCC(=O)N 1 2.926 2 5 0 -13.7135093758723 979574 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl)C(=O)OC 1 4.195 1 5 -15.6837549286024 979530 COC1=C(C=CC(=C1)CNN2C=NN=C2)OCC(=O)NC3CCCCC3 1 1.376 5 3 0 -14.353711926682 979520 COC1=C(C=CC(=C1)CNCC2=CC=CC=C2Cl)OCC(=O)NC3CCCCC3 1 4.5 2 3 -10.5514455707209 979502 CC1=C(C2=CC(=C(C=C2O1)Br)OCC(=O)C(C)(C)C)C(=O)OC 1 3.994 0 5 -14.7320894422643 979496 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CS4 1 4.097 3 2 -7.4651348253915 979491 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CO4 1 4.691 4 3 0 -10.6177164147093 979489 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl 1 5.202 3 2 -5.58198190776119 979449 CN(C)C1=CC=C(C=C1)CNN2C=NN=C2SCC3=CC=CC=C3F 1 3.526 5 0 -11.5625230197422 979445 CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC(=O)N)Br)C 1 2.069 1 5 -13.8808054729738 979433 COC1=C(C=CC(=C1)CNC2=CC=C(C=C2)CNC3=NC=NN3)OCC4=CC=CC=C4 1 3.994 5 2 0 -9.77957515625532 979431 CCOC(=O)C1=C(OC2=CC(=C(C=C21)O)Br)C3=CC=CC=C3 1 4.654 0 4 -2.50467840076203 979428 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNC2=CC=C(C=C2)CNC3=NC=NN3)OC 1 2.402 6 3 0 -20.2371053081182 979426 COC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)CNC3=NC=NN3)Cl)OCC4=CC=CC=C4 1 4.658 5 2 0 -7.22784247819559 979383 CCOC(=O)COC1=C(C=C2C(=C1)C(=C(O2)C)C(=O)OCC)Br 1 3.271 0 6 -16.2270031404652 979325 CC1=CC=C(O1)C2C(=C(NC(=C2C(=O)OC(C)C)C)C)C(=O)OC(C)C 1 2.654 1 5 -22.3764606768316 979257 CC(C)(C)C(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2 1 4.44 3 2 -10.4103911757158 979236 COC1=C(C=C(C=C1C(=O)NC2=CC=C(C=C2)CN3CCOCC3)Cl)Cl 1 3.688 2 3 -2.0899158852271 979234 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCOCC3)Cl 1 3.372 2 3 -6.26379995343246 979233 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCOCC3)Br 1 3.456 2 3 -6.16754926975912 979232 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCOCC3)Br 1 3.108 2 3 -5.44394925019209 979228 CC(C)COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CN3CCOCC3 1 3.551 2 3 -9.01017126635739 979227 CC(C)OC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CN3CCOCC3 1 3.085 2 3 -7.77187412159636 979225 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3 1 4.013 3 2 -8.83079631463457 979217 C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3 1 4.122 3 3 -4.04378072585247 979216 C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl 1 5.345 3 2 -2.32977577733345 979211 C1COCCN1CC2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 3.54 2 3 -3.49239362136231 979210 CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=C(C=C2)CN3CCOCC3 1 3.361 2 3 -1.06606482474822 979207 CC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)CN3CCOCC3)Cl 1 3.361 2 3 -3.9293929149182 979201 C1COCCN1CC2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Br 1 2.959 2 3 -4.53540076182358 979200 C1COCCN1CC2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl 1 2.875 2 3 -3.07874101672214 979198 C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Br)Cl 1 3.788 2 2 -2.20157007374166 979196 C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.704 2 2 -2.19807600287705 979195 C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.704 2 2 -0.479237568613073 979194 C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br 1 3.124 2 2 -4.21436220225378 979190 C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3Cl 1 4.027 3 3 -8.25079773004966 979185 C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)F 1 3.732 3 2 -8.00626320134522 979181 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3)Cl 1 4.175 3 3 -10.0104354566693 979180 COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3)Br 1 4.259 3 3 -9.6950444170875 979177 CC(C)(C)C1=NN=C2N(C1=O)N=C(S2)SCC(=O)C3=CC=C(C=C3)Cl 1 5.265 4 2 -4.81386474326168 979173 CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3 1 4.702 3 3 -12.3805549650275 979171 CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3 1 4.237 3 3 -10.4449546037774 979142 C1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)Cl)NC(=O)C4=CC=CS4 1 4.459 3 1 -3.18355367071827 979136 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4Cl 1 1.653 6 2 0 -16.9869395621272 979103 CCOC(=O)C1=C(NC(=C(C1C2=CC=C(O2)Br)C(=O)OCC)C)C 1 2.322 1 5 -21.6119276801313 979102 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=CO3 1 3.616 3 3 -3.0673636343195 979098 C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC=CC=C3Cl)Cl 1 4.728 2 2 -5.92363334395895 979078 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)Br)C3=CC=CC=N3 1 2.722 4 1 -1.83487134975513 979025 C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)C3=CC4=CC=CC=C4OC3=O 1 4.862 2 3 -11.5812522716176 979004 CC(C)(C)C1=NN=C2N(C1=O)N=C(S2)SCC(=O)C3=CC4=C(C=C3)OCCO4 1 4.387 4 4 0 -10.3939984308718 978969 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl 1 3.613 3 5 0 -8.99151356152458 978928 COC1=CC=C(C=C1)N(CC2=NN=C3N2CCCCC3)C(=O)NC4=CC=CC=C4 1 3.487 5 2 0 -10.6120133650201 978866 CC1=CC=C(C=C1)C(=O)CSC2=NN3C(=O)C(=NN=C3S2)C(C)(C)C 1 5.087 4 2 -6.6358634338485 978805 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CN=C3)Br)C(=O)N 1 2.384 3 2 -10.9964864224393 978796 CC1=CC(=NC(=N1)OC2=C(C=C(C=C2)Br)Br)C 1 4.194 2 1 1.08550148475238 978781 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CCC(C)C)O 1 3.996 3 5 0 -9.32826752106557 978779 CCOC(=O)CC1=CSC(=N1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC(C)C)O 1 3.607 3 5 0 -9.30826883167318 978668 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(C)CC3=CC=CC=C3)CC(=O)OC 1 1.457 5 4 0 -13.7264333971834 978628 CCOC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCOCC3 1 -9.e-002 5 5 0 -18.75491277907 978607 CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4 1 0.988 6 2 0 -17.0234496230458 978587 CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 1 5.107 4 1 -13.2064829552625 978585 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.795 3 1 3.28229254435637 978533 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)OC 1 2.433 3 5 0 -11.0396192473065 978526 C1COCCN1C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)Br 1 3.606 2 2 -6.87820578698421 978518 CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2N3CCOCC3 1 2.657 2 4 -10.7252794064979 978516 C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC=C3)Cl 1 3.244 2 3 -4.26527555450234 978509 CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=CC=CC=C3Cl 1 2.47 2 3 -15.5142871615293 978507 CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)Cl 1 2.47 2 3 -13.783262537146 978486 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=CC=CC=C3 1 3.275 2 5 0 -16.6769637658972 978477 CCOC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C 1 0.72 3 7 0 -31.2031686239898 978417 CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)OC)S(=O)(=O)C 1 0.405 3 6 0 -13.4815962753097 978415 CC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C 1 0.857 3 7 0 -27.7845587013381 978413 CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC4=CC=C(C=C4)C(=O)O 1 5.061 0 5 0.17280660256448 978403 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)O)CC4=CC=CC=C4 1 5.477 0 5 -8.98039382502928 978360 CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3 1 4.558 3 2 -9.62354984439864 978343 C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O 1 4.776 2 4 -11.7703408042827 978305 C1CCN(CC1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C#N 1 3.558 2 1 -5.3420153347858 978304 CC1(CC2=C(C(=O)NC1)SC(=N2)NC(=O)CN3CCOCC3)C 1 0.271 4 3 0 -15.8130851432771 978300 C1OC2=C(O1)C=C(C=C2)CNC(=O)CS(=O)(=O)CC3=CC=CC=C3 1 1.774 1 5 0 -12.888076673581 978275 CC1=NN=C(S1)NC(=O)C2=CSC3=C2CCCC3 1 2.394 3 1 -12.4375564888064 978267 CC1=CC(=NN1C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C 1 2.39 3 3 -20.393045896196 978265 CC1=CC=C(C=C1)C(=O)/C=C(\C)/NC2=CC=C(C=C2)N3CCOCC3 1 3.893 2 2 -1.07993899377069 978264 C1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)CC3=CC=CS3 1 3.492 3 1 -14.8226299111717 978260 C1CN(CC2=CC=CC=C21)C(=O)CS(=O)(=O)CC3=CC=CC=C3 1 2.286 1 3 -12.1229692618686 978259 CCN1CCN(CC1)C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 0.525 3 3 0 -10.589452584121 978252 CC1=CC(=O)OC2=C1C(=NN2C3=NNN=N3)C 1 1.35 6 2 0 -4.98322169778355 978245 COC1=C(C=C(C=C1)NC(=S)NCC2=CN=CC=C2)OC 1 2.912 3 2 -14.7609895900545 978234 CSC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)F)Cl 1 3.934 2 1 -7.03754610217463 978233 CC1=C(C(=CC=C1)C)OCC2=NNC(=S)N2C3=CC=CC=C3 1 4.486 3 1 -6.69235439672456 978232 CN1C(=CC=N1)/C=C(/C#N)\S(=O)(=O)C2=CC=CC=C2 1 1.924 3 2 0 -11.0719176391769 978222 CC1=NN=C(S1)SCC2=CC(=CC=C2)[N+](=O)[O-] 1 2.584 3 2 -14.3228055346367 978221 C1=CC(=C(C=C1Br)Cl)NC(=O)NN2C=NN=C2 1 1.554 5 1 0 -3.27444364927257 978218 C1CCC(CC1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N 1 2.804 3 2 -14.9095876589235 978217 COC(=O)C1=CC=CC=C1NC(=O)NCC2=CC=CC=N2 1 1.449 3 3 0 -15.1008110495659 978212 CCSC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)OC 1 3.495 1 2 -12.6211706365368 978207 CN1CCN(CC1)NC(=O)NC2=C(C=C(C=C2)OC)OC 1 0.584 4 3 0 -6.49657925245476 978197 C1CC2=C(C1)C=C(C=C2)OC(=O)N3CCOCC3 1 2.544 1 3 -7.54367504303762 978196 CC1=CC(=NO1)NC(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.309 3 3 -13.1436926164856 978195 CC1=C(C=CC(=C1C)S(=O)(=O)NCC2=CC=CC=N2)OC 1 2.345 2 3 -4.17345354247495 978194 COC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)F)Cl 1 3.248 2 3 -3.43536390784538 978193 CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN=C2C3=CC=CC=C3)C 1 3.933 2 2 -3.74236333360681 978178 C1=COC(=C1)CNC(=S)NC2=NC=C(C=C2)Br 1 2.942 3 1 -10.6308713558709 978177 CN(C)C(=S)NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 3.977 2 1 -11.1640785585869 978173 CC(=O)NC1=CC(=CC=C1)NC(=S)NC2=C(C=C(C=C2)F)F 1 3.898 3 1 -7.48442291892917 978171 CN(C)C(=S)NC1=CC=C(C=C1)CC2=CC=NC=C2 1 3.872 3 0 -5.72078935700146 978166 COCC(=O)N1C(=NC(=N1)C2=CC=CC=C2)NCC3=CC=CC=C3 1 2.397 4 2 -5.21450271872508 978160 C=CCN1C(=NNC1=S)C2=CC=CC=C2[N+](=O)[O-] 1 2.613 4 2 -9.9395858400228 978150 CC(=O)C1=CC(=CC=C1)NC(=S)N2CCCC2 1 3.249 2 1 -13.7094708091587 978147 CSC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 2.917 2 2 -10.1221782345525 978146 CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC=CC(=C2C)C 1 4.435 3 2 -6.47551781712742 978144 CCN(CC)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)C 1 3.122 3 2 -10.8098007400342 978143 CN1C=C(C=N1)CNC(=O)NC2=CC3=C(C=C2)OCO3 1 0.947 4 3 0 -8.2203045584316 978140 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSCC3=CC(=CC=C3)Cl 1 3.454 1 3 -12.9861987604772 978138 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC 1 3.515 2 5 0 -9.42827617506235 978132 CCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)NC(=O)C(C)C 1 2.266 4 2 -20.6249238599926 978129 CC1=CC(=NO1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.603 3 2 -7.26945181398105 978127 C1=CC(=CC(=C1)Br)C2=NN=CO2 1 1.877 2 1 0 3.82048091771864 978126 CCCN1CCC(CC1)NC(=O)NC2=CC(=C(C=C2)OC)OC 1 1.896 3 3 0 -9.35130031176455 978116 CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 3.257 1 4 -4.41089967593696 978115 CC1=CN(N=C1)C(=S)NCCC2=CC=CC=C2 1 3.744 3 0 -3.92575292081206 978097 CC1=C(C(=NN1C(=O)C2CC2)C)SC3=CC=C(C=C3)Cl 1 4.232 2 1 -0.883105800587686 978094 COC1=CC(=CC(=C1)C2=C(NN=C2)N)OC 1 1.137 3 2 0 -1.16146909269009 978087 CC1=CC(=C(C=C1)C)N2CC(=O)N(CC2=O)C3=C(C=CC(=C3)C)C 1 3.629 2 2 -4.36031013413372 978086 CCSC1=CC=CC=C1C(=O)NC2CCCCC2 1 3.787 1 1 -11.2934877820263 978078 C1=COC(=C1)C(=O)NNC(=S)NC2=C(C=C(C=C2)F)F 1 3.08 3 2 -5.03280052799436 978074 C1CCC(C1)NC(=S)NCC2=CC=NC=C2 1 2.492 3 0 -8.99727749877779 978073 CC(C)N1C(=NNC1=S)C2=CC=CC=C2F 1 3.033 3 0 -4.50705740085002 978071 CC1=CC(=NC=C1)NC(=S)NC2=C(C=C(C=C2)OC)OC 1 3.736 3 2 -6.68324736885997 978069 C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N 1 2.499 1 4 -1.88455845058778 978068 CC1=CC(=NO1)C(=O)NNC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 1.75 4 3 0 -6.61320422795051 978066 CCN1C(=C(C=N1)NC(=S)NC2=CC3=C(C=C2)OCO3)C(=O)N 1 2.427 5 3 0 -11.7651646584479 978064 CC1=NN=C(O1)SCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 1.034 4 3 0 -17.9629850812552 978062 CC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CCCCC2 1 4.579 2 1 -14.3757760604174 978050 CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CN=CC=C2 1 1.112 3 2 0 -5.89038566651128 978049 CC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)NCC3=CC=CO3 1 2.507 4 2 -0.988981919123423 978047 CC(C)(C(=O)NNC(=S)NC1=CC(=C(C=C1)F)Cl)O 1 2.603 3 2 -4.98311206835013 978045 CCOC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=N2)Cl 1 2.385 2 3 -8.01313398143133 978044 CC1=C(N=CC=C1)NC(=S)NC2=CC(=C(C=C2)OC)OC 1 4.208 3 2 -8.26078249411785 978041 CC1=CC(=C(C=C1)OC)NC(=S)NNC(=O)C2=CC=CC=C2Cl 1 4.408 3 2 -9.00850450154079 978040 C1=COC(=C1)CNC(=S)NC2=C(C=C(C=C2)Br)Cl 1 4.69 2 1 -5.87980591077084 978039 CCCC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2Cl 1 3.529 2 2 -17.4805812443635 978037 CN(C)CCNC(=O)NC1=C(C(=CC=C1)Cl)Cl 1 2.413 3 1 -5.30455728803786 978034 COC1=CC(=CC(=C1)C(=O)NNC(=O)NC2CCCCC2)OC 1 2.028 3 4 0 -12.1560663384134 978025 CCC1=C(SC=C1C(=O)NNC(=S)NC2CCCCC2)C 1 4.028 3 1 -10.3927768002277 978024 COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)NCC2=CC=CC=N2 1 2.02 2 4 -8.19063600753087 978022 CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCCC2 1 1.833 2 3 0 -17.8413374993435 978019 CC1=CC(=C(C=C1)N2C(=NN=N2)SC3=NC(=NN3C)[N+](=O)[O-])C 1 3.272 8 2 0 -11.8952338986523 978009 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=NC=C(C=C2)Cl 1 2.47 4 3 0 -2.79088825757774 978008 C1CCN(C1)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 3.664 1 3 -5.3176334697689 978004 CC1=CC=C(C=C1)NC(=O)CC2=NNC(=S)N2C 1 1.889 4 1 0 -9.59043002519704 978002 C1CCC2=C(C1)C=CC(=C2)C(=O)COC3=CC=C(C=C3)F 1 4.788 0 2 -5.63012289200416 978001 C1=CC(=C(C=C1Br)C2=NC(=NO2)C3=CC=NC=C3)Cl 1 3.407 3 1 10.0102322031456 977997 COC1=CC=C(C=C1)CCNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 2.656 2 5 0 -10.3710880887246 977941 CCCC(=O)NC1=CC(=CC=C1)OC2=CC3=C(C=C2)C(=O)NC3=O 1 2.46 2 4 -10.1260409533727 977943 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F 1 4.387 1 2 -4.06390582205499 977945 C1=CC(=C(C(=C1)Cl)CSCC(=O)NC2=NC=CS2)Cl 1 3.341 2 1 -11.6816063830393 977949 CC1(CC(CC(N1)(C)C)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C 1 1.507 3 4 0 -14.8264062680079 977958 C1OC2=C(O1)C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 2.112 2 6 0 -9.41664530259803 977989 CC1=CC=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 2.32 2 3 -9.34742451767773 977974 CCOC(=O)C1CCN(CC1)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.649 2 6 0 -11.4625745219398 977973 COC1=CC=C(C=C1)OCCC(=O)NC2=NC=CS2 1 1.679 2 3 0 -8.06623197466515 977968 CN(C)CCNC(=O)C1=C(C=CC(=C1)Br)Cl 1 2.589 2 1 -2.80978850969199 977965 CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C(=O)C 1 0.715 2 4 0 -16.1252324781889 977963 C1=CC(=C(C=C1Br)C(=O)NN2C=NN=C2)Cl 1 1.646 4 1 0 -3.78832028218109 977937 C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)NCC3=CC=CO3 1 2.951 1 4 -10.3514666988204 977934 C1=CC(=CN=C1)C2=NOC(=N2)C3=C(C=CC(=C3)Br)Cl 1 3.407 3 1 7.46752827880678 977929 C1=CN=CC=C1NC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl 1 3.292 2 2 -5.53050072725705 977927 CCC1=CC\2=C(C=C1)NC(=O)/C2=C\C(=O)C3=CC=CS3 1 3.512 1 2 -5.37075883919511 977926 C1CCC2=C(C1)C=CC(=C2)C(=O)COC3=CC=CC=C3Cl 1 5.247 0 2 -6.92213691165754 977922 C1CC2=CC=CC=C2N(C1)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O 1 2.804 2 3 -12.2847128005547 977912 COC1=CC=C(C=C1)OCCC(=O)N2CCOCC2 1 0.998 1 4 0 -10.3356179930965 977894 C1=CC(=C(C(=C1)Cl)COC(=O)C2=NC=CN=C2)F 1 2.266 2 2 -7.14387040611357 977893 C1CN(CC2=CC=CC=C21)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 2.631 2 4 -11.3551759288027 977888 C1CCN(C1)C(=O)C2=C(C=CC(=C2)Br)Cl 1 3.117 1 1 -3.41433013070621 977887 C1CC1C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 2.446 2 2 -6.94826240018049 977884 COC1=CC=CC=C1CNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 2.334 2 5 0 -12.8605799118216 977883 CCCC(CCC)C(=O)NC1=CNC(=O)NC1=O 1 0.767 3 3 0 -16.1692251394172 977882 C1CSC(=N1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 2.282 3 3 -13.5626875833585 977864 C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC3=CC=C(C=C3)F)O 1 4.14 0 3 1.49304190872723 977863 CC(C)CC(=O)NC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)NC3=O 1 2.711 2 4 -8.33656208913488 977854 CC1=CC(=NO1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.137 2 4 0 -16.3285648154123 977848 CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C)C(C)(C)C 1 2.688 2 4 -8.53846067135182 977845 CCC(C)(C)NC(=O)CC1=CC=C(C=C1)C 1 3.014 1 1 -9.00567463105106 977841 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NOC=C3 1 0.412 3 5 0 -21.3585565167211 977840 CS(=O)(=O)NC1=CC=CC=C1C(=O)C2=CC=CC=C2 1 2.145 1 3 -8.27437289813019 977839 C1CN(C2=CC=CC=C21)C(=O)CS(=O)(=O)CC3=CC=CC=C3 1 2.279 1 3 -12.6961918606884 977836 COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3O2 1 3.878 1 3 -5.78785335068785 977826 CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)F 1 1.326 1 3 0 -14.7951804421797 977824 CC1=NC(=NC=C1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.547 3 3 -8.92346991384117 977818 CC1=CC(=O)C=C(N1C2=CC=CC=C2N)C 1 1.838 2 1 0 -1.01761654209138 977816 CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.199 2 3 -10.3792250480754 977814 CC1=CC2=C(C=C1)NC(=C(C2=O)CC3=CC=CC=C3)O 1 4.073 1 2 -1.88105648433478 977800 C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)O 1 2.56 3 2 -12.6214303867789 977795 CCC(C)(C)NC(=O)C1=CC=C(C=C1)OCC 1 2.825 1 2 -9.19578655497307 977792 CCCC1=NN=C(N1N)SCC2=CC=C(C=C2)OC 1 2.736 4 1 -11.1069955407849 977790 C1=CC=C(C=C1)N2C(=S)N(N=N2)CC(=O)O 1 2.375 4 2 -8.90076596736739 977789 CC(=O)NC1=CC=C(C=C1)N(C)S(=O)(=O)C 1 6.7e-002 2 3 0 -9.69849937446223 977785 C1=CC=C(C(=C1)CSC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])Cl 1 4.752 3 2 -3.44483369468642 977781 CCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N 1 1.106 2 3 0 -19.3798804249585 977774 CC1=CC=C(C=C1)S(=O)(=O)CCC2=CC=CC=N2 1 2.738 1 2 -8.29521338030288 977773 C1COCCN1CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F 1 2.511 3 2 -5.19027636748445 977752 CC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=CN=CC=C2)C 1 2.391 2 2 -5.98684316821032 977742 CCOC(=O)C1=C(N2C(=CC(=N2)C3=CC=C(C=C3)C(C)(C)C)N=C1)N 1 3.447 4 2 -2.15658454162138 977715 CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCC3)C 1 4.21 2 1 -1.70182616675204 977706 CCN1CCN(CC1)C(=O)CSC2=CC=C(C=C2)C 1 2.429 2 1 -4.89897326085592 977705 C1CN(CCN1C2=CC=CC=C2F)C(=O)COC3=CC=CC=C3Cl 1 3.578 2 2 -2.16963954474373 977702 COC1=C(C=CC(=C1)N2CCCC2)C=O 1 2.196 1 2 1.52439461445143 977700 CCOC1=CC=CC=C1CNC2=NC3=CC=CC=C3N2C 1 3.345 3 1 -3.6015478539737 977699 C1CCC(CC1)NC(=S)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 4.137 2 2 -7.43987586102011 977697 CCCC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC2 1 1.948 2 2 0 -14.0103845862905 977696 CN1C2=C(C=C(C=C2)/C=C(/C#N)\C3=CC=C(C=C3)Cl)N(C1=O)C 1 3.594 3 1 -11.2007528388287 977691 C1CC1NC(=O)COC2=CC=CC=C2Cl 1 2.027 1 2 -8.11632082317904 977678 CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)N 1 2.428 3 2 -12.4252011880039 977671 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCCC3 1 3.503 3 2 -21.1853712477793 977670 CCC(C)(C)NC(=O)C1=CC=CC=C1OC2=CC=CC=C2 1 4.053 1 2 -7.20236539611214 977664 CCOC(=O)C1=CC=C(C=C1)CN2C=NC3=CC=CC=C3C2=O 1 2.744 2 3 -6.668787091969 977660 CC1=NC2=C(C(=NN2C(=C1)C3=CC=CC=C3)C)C4=CC=CC=C4OC 1 4.117 3 1 -1.83936743126087 977654 C1=CC(=CC=C1N2C(=NN=C2SCC(=O)O)C3=CC=NC=C3)Cl 1 2.98 4 2 -7.7056962057733 977652 CCC(C)(C)NC(=O)CC1=CC(=C(C=C1)OC)OC 1 2.495 1 3 -13.3954775596884 977647 CC1=NC2=C(C=CC=C2S(=O)(=O)N3CCCC4=CC=CC=C43)C=C1 1 3.523 2 2 -12.7500759987933 977640 CC1=CC(=NC(=N1)NC(=O)COC2=C(C=C(C=C2)Cl)C)OC 1 3.148 3 3 -7.08613989871275 977639 CC1=CC(=O)C=C(N1C2=CC=CC=C2N3CCOCC3)C 1 2.434 2 2 -1.67980086140191 977627 C1=CC(=CC=C1C2=CN=C(N2)SCC(=O)N)[N+](=O)[O-] 1 1.358 4 3 0 -3.77312365949093 977625 CCC(C)(C)NC(=O)CC1=CC=C(C=C1)Cl 1 3.192 1 1 -7.18367594046424 977622 CC1=CC(=NC(=N1)SC)OC2=CC=CC=C2 1 3.496 2 1 -1.39903685977815 977618 C1=CC=C(C=C1)CS(=O)(=O)CC(=O)NCC2=CC=CO2 1 1.188 1 4 0 -13.3085310839267 977617 C1=CC=C(C=C1)NCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.789 2 3 -6.43370942063927 977608 C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)NC3=CC=C(C=C3)F 1 2.387 2 3 -3.9902532274671 977580 CCC(C)(C)NC(=O)CC1=CC=CC=C1OC 1 2.511 1 2 -11.7146268277275 977577 CCC(C)(C)NC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 1 3.752 1 2 -9.76277088828286 977573 CC1=C(C=C(C=C1)N2C(=CC3=C2CC(CC3=O)(C)C)C)C 1 4.673 1 1 -6.1947665817764 977572 CCCC1=NN=C(S1)NC(=O)CN2C=NC3=CC=CC=C3C2=O 1 1.45 5 2 0 -16.3322795699994 977564 C1=CC=C(C=C1)CS(=O)(=O)CC(=O)NC2=NC=CC=N2 1 0.741 3 3 0 -9.36997317384988 977561 C1CN(C2=CC=CC=C21)C(=O)CSC3=NN(C=N3)C4=CC=CC=C4 1 3.352 4 1 -10.0904365999024 977556 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)N2CCCCCC2 1 2.867 2 2 -13.811614562768 977550 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3=CC=CO3 1 2.145 4 2 -19.5759437354346 977544 CC1=CC(=O)OC2=C1C=C(C=C2)OCC(=O)NCC3=CC=CO3 1 2.154 1 5 -14.1382397857993 977540 C1=CC=C(C=C1)CS(=O)(=O)CC(=O)NC2=CC=CC=C2C(=O)N 1 1.001 2 4 0 -10.6700456569452 977537 CCC(=O)NC1=NN=C(S1)C2=CC=CS2 1 1.969 3 1 0 -10.8049509503437 977526 CC1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3 1 2.198 1 3 -10.9407236963541 977525 C1=CC=C2C(=C1)C=NN(C2=O)CC(=O)O 1 0.54 2 3 0 -6.79327313689877 977518 C1CCCN(CC1)S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)NC4=O 1 2.183 2 3 -20.084577829272 977504 CN1CCN(CC1)S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)NC4=O 1 0.767 3 3 0 -19.5114442729202 977501 C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3F)N 1 3.644 4 0 -7.83153399282896 977500 COC1=CC=C(C=C1)NC(=O)NC(=O)C2=CC=CC=C2 1 2.378 2 3 -4.01482158247319 977499 CC1=CC(=O)C=C(N1C2=CC=CC=C2Br)C 1 3.333 1 1 -0.280982365537263 977497 COC(=O)C1=CC=C(C=C1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.854 1 5 0 -10.2302263861175 977493 COC1=CC=CC=C1NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3 1 3.055 4 2 -9.42238842193898 977492 CC1CCN(CC1)C(=O)C2=CC3=CC=CC=C3O2 1 3.008 1 2 -2.72432650260106 977491 COC1=CC=C(C=C1)C(=O)NC(=O)N2CCCCC2 1 1.924 2 3 0 -6.38432832250358 977483 CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=CS3 1 3.062 2 3 -3.03473365802959 977462 CCCC(=O)NC1=CC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)F 1 3.391 2 2 -14.6801472282102 977457 CC(=O)NC1=C(NC2=C1C=C(C=C2)OC)O 1 1.109 2 3 0 -1.26122969285721 977456 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(F)(F)F 1 1.914 3 3 0 -6.1705456091718 977455 CCC1=C(N=C2C(=C(NN2C1=O)C)C3=CC=CC=C3OC)C 1 2.193 3 2 -8.76099696538392 977454 CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OCC)C 1 2.616 4 2 -18.2246358248308 977448 C1=CC=C(C=C1)NC(=S)NCCC2=CC=NC=C2 1 3.266 3 0 -8.12477959744308 977447 CN1C2=CC=CC=C2N=C1NCC3=CC=CS3 1 2.752 3 0 -3.88176660258785 977441 CN1C(=NN=C1SCC(=O)O)C2=CC(=C(C=C2)OC)OC 1 1.857 3 4 0 -14.4736447872394 977440 CC1=C(C=NC2=C(C(=NN12)C(F)(F)F)C3=CC=CC=C3)C(=O)C 1 3.014 3 1 -3.31930108317224 977429 CC1=C(C=CC=C1F)NC(=O)CCC(=O)O 1 1.487 1 3 0 -9.10381888253671 977424 C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=CC=N3)F 1 3.687 3 1 -11.0549111188418 977416 CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=NC=C3 1 2.72 5 0 -8.58154750827244 977415 CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=CC=C3C#N 1 3.783 4 0 -11.2097979494417 977408 CC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)NC(=O)N3)C 1 2.449 3 2 -11.761000361294 977396 CCC(C)(C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC 1 2.242 2 5 0 -13.7286935877402 977387 CC1=NC(=C(N1)[N+](=O)[O-])SCC(=O)C2=CC=C(C=C2)F 1 2.539 3 3 -5.53147454311768 977385 C1CCN(C1)C(=O)C2=CC3=CC=CC=C3O2 1 2.299 1 2 0.319251615471441 977381 CCC1=NN=C(S1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl 1 3.885 3 2 -5.10701590225157 977380 CC1(CC2=C(C(=O)NC1)SC(=N2)NC(=O)C3=CC=CC=C3)C 1 2.242 3 2 -13.6921385100069 977379 CCOC(=O)NC1=NN=C(S1)C2=CC(=CC=C2)OC 1 2.325 3 3 -5.6828388793811 977376 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CSC3=CC=CC=N3 1 3.319 3 1 -5.0702290342517 977368 C1=CC=C(C=C1)N2C=NC(=N2)SCC(=O)NC3=NC=CS3 1 2.068 5 1 -7.6167966542645 977364 COC1=CC=CC=C1CNC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.989 1 4 0 -13.7532872200818 977351 C1CC1C2=NC(=S)C3=CC=CC=C3N2 1 2.486 2 0 -4.29861021599863 977348 CC(C)CCC1=NC(=C2C(=C1)C3=CC=CC=C3OC2=O)NC(=O)C 1 3.573 2 3 -8.85073843316807 977334 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=C3 1 2.561 6 3 0 -22.316635106787 977333 CC1=CC(=NC(=N1)SCC2=CN=C(N=C2N)C)C 1 1.232 5 0 0 -9.87454945232142 977324 CC(=O)NC1=NC2=C(CCCCC2)C3=C1C(=O)OC4=CC=CC=C43 1 3.435 2 3 -6.85895120235992 977323 C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NOC=C3 1 2.098 3 4 0 -19.8328862425354 977322 CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)COC3=CC=C(C=C3)F 1 2.208 6 4 0 -22.0506559043147 977314 CC1=CC2=C(N1C3=CC=C(C=C3)Cl)CC(CC2=O)(C)C 1 4.365 1 1 -4.93631441925796 977311 C1CC(=O)N(C1)C(=O)C2=CC(=CN=C2)Br 1 0.881 2 2 0 -8.76969508623642 977306 C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CS4)C#N 1 5.149 2 1 -7.26778990177008 977303 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)NC(=O)C(C)C 1 2.003 3 3 -21.2063228490634 977302 CC1=CC=C(C=C1)SCC(=O)NCCC2=CC=C(C=C2)F 1 4.028 1 1 -7.28046210225402 977296 CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)O 1 -1.931 7 3 0 -23.1506994580819 977293 CC(C)C(=O)NC1=NN=C(S1)CC(=O)OC 1 0.85 3 3 0 -16.3770160368746 977286 C1CCN(CC1)C(=O)NC(=O)C2=CC=C(C=C2)Cl 1 2.605 2 2 -4.14936342277262 977283 C1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3O2 1 3.212 1 2 -3.52168986966387e-002 977278 CC1=CC(=C(C=C1)NS(=O)(=O)C)C(=O)C2=CC=CC=C2 1 2.631 1 3 -7.58091707844997 977273 CC(=O)NC1=CC=C(C=C1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2 1 1.119 2 4 0 -10.3349673574987 977269 CN1C(=NN=N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3F 1 2.797 5 1 -20.685940367225 977264 CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)F)C 1 3.495 1 2 -3.91447070954501 977261 CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)C3=CC=NC=C3 1 1.24 6 1 0 -13.007277914956 977259 CC1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)O 1 1.513 4 3 0 -14.7734143512847 977257 CCNC1=NC(=NC(=N1)SCC(=O)N)NC(C)(C)C 1 0.857 6 1 0 -15.0370847793438 977250 C1=CC=C(C=C1)CN2C=CN=C2C3=CC=CO3 1 2.826 2 1 -0.282710427956559 977241 CC1=CC=CC=C1NC(=S)NC2=C(C=CC(=C2)Cl)OC 1 5.5 2 1 -5.04112389318206 977240 C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.801 2 3 -10.2980634925645 977239 CC(C)(C)NC1=NC(=NC(=N1)N2CCOCC2)SC 1 1.547 5 1 0 -6.61539515768606 977233 C1CCN(CC1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl 1 2.992 3 1 1.1992039474563 977232 CCNC(=S)NC1=C(C(=CC=C1)Cl)C 1 4.011 2 0 -5.09415788080515 977231 CC1=C(C(=CC=C1)C)NC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 6.667 2 0 -3.80382527505511 977226 C1CN(CCN1C2=CC=CC=C2)C(=O)CCSC3=CC=CC=C3 1 3.515 2 1 -3.89026212635786 977219 CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC=CC=C2 1 3.147 2 2 -15.9311164921788 977217 CCNC1=NC(=NC(=N1)NCC2=CC=CC=C2)OC3=NNC(=O)C=C3 1 1.759 7 2 0 -12.3884953476057 977208 CC1=CC(=C(C=C1)O)NC(=O)COC2=C(C=CC(=C2)C)C 1 3.666 1 3 -1.84035272688756 977203 C1=CC(=CC=C1NC(=O)C2=NC=NN2)OC3=CC=C(C=C3)Cl 1 3.006 4 2 -1.37370520282702 977201 CCC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)OC 1 5.292 2 1 -3.87425263391796 977199 CCNC(=S)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2 1 4.336 4 0 -8.1649391521115 977195 CC1=CC(=CC=C1)NC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 6.181 2 0 -0.127948810898447 977192 CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2 1 -0.158 3 3 0 -21.2293927041403 977187 C1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C=CC=C3 1 2.944 3 1 -11.0705831192341 977172 COC1=CC=CC=C1NC(=S)NC2=CC=CC=C2F 1 4.555 2 1 -6.95402178865343 977170 CC1=CC(=NN1S(=O)(=O)C2=C(C(=C(C=C2)OC)C)C)C 1 3.015 2 3 -7.63044786968234 977165 C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NNC(=N3)N 1 0.859 5 3 0 -13.2554347961194 977158 C1CSC(=N1)NC(=O)CSC2=CC=CC=C2 1 2.496 2 1 -12.5818030636951 977157 CC1=CC(=CC(=C1Cl)C)OC(=O)N2CCOCC2 1 3.124 1 3 -3.56390607318813 977155 CCNC1=NC(=NC(=N1)N2CCOCC2)OC3=NNC(=O)C=C3 1 6.9e-002 7 3 0 -12.2275735264458 977154 CC1=[N+](C2=CC=CC=C2N(C1=O)OCC3=CC=C(C=C3)Cl)[O-] 1 2.204 2 3 -3.91832232476448 977153 CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC(=C(C=C2)Cl)OC)C 1 4.424 1 3 -4.9952900428008 977152 C1CN(CC2=CC=CC=C21)C(=O)CN3C(=S)N=C4N3C=CC=C4 1 1.869 4 1 0 -14.1337282980254 977151 CSC1=NC(=NN1C(=O)CC2=CC=CC=C2)C3=CC=CO3 1 3.377 3 2 -0.506724701402385 977141 CC1=CC(=NO1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C 1 2.366 3 4 0 -21.4448173843734 977140 COC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CC=CO3)SC 1 3.326 3 3 -1.68323528201525 977138 C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=O)C4=CC=CC=C4 1 3.548 2 3 8.0898912211568 977133 CC(C)(C)NC(=O)COC1=NC(=NC(=N1)N(C)C)N(C)C 1 0.567 6 2 0 -13.3372536443034 977124 CC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)Br 1 5.601 2 0 -1.32556918486789 977123 CC1=CC=C(C=C1)N(C)C(=O)OC2=CC=C(C=C2)NC(=O)C 1 2.982 2 3 -7.43991935490343 977118 CCC1=CC=C(C=C1)N2CCN(CC2)C(=O)N3CCOCC3 1 2.041 3 2 -2.43052932868519 977117 C1OC2=C(O1)C=C(C=C2)CSC3=NNC(=N3)N 1 1.799 4 2 0 -5.17269728223154 977116 CC(C)C1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC=N2 1 2.884 2 3 -3.06197361149701 977111 CC1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CO3 1 4.492 3 2 -8.73285982668322 977109 CCOC1=CC(=C(C=C1C)C)S(=O)(=O)NCC2=CN=CC=C2 1 2.478 2 3 -5.27774276140464 977104 CN1C2=C(C=C(C=C2)C(=O)NCCC3=CCCCC3)N=N1 1 3.176 4 1 -10.4004214948998 977103 CCOC1=C(C2=C(C=C1)NC(=N2)S(=O)(=O)CC)Cl 1 2.758 2 3 -5.37074041219123 977097 COC1=C(C=CC(=C1)C(=O)N)OCC2=CC=CC=C2 1 2.382 1 3 -8.91951909410855 977093 CC1=[N+](C2=CC=CC=C2N(C1=O)OCC3=CC=C(C=C3)C(=O)OC)[O-] 1 1.395 2 5 0 -9.66168107369459 977091 CC1=C(C=CC(=C1)NC(=O)C2CC2)NC(=O)C3=CC=CS3 1 2.932 2 2 -10.4160286257677 977088 C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C#N)C4=CC=CC=C4 1 3.668 3 2 6.77124921266507 977083 CC1=CC=C(C=C1)SCC(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 2.575 2 3 -5.88821928725499 977079 C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C3=CC=CO3)OCC4=CC=CC=N4 1 1.673 3 4 0 -6.04493004202818 977071 CC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] 1 4.747 3 2 -8.89362642832336 977067 CC(=O)C1=CC=C(C=C1)NC(=O)C2=NSN=C2 1 1.145 3 2 0 -11.1634451890551 977059 CC1=CC(=NC(=S)N1)OC2=CC=CC=C2 1 3.08 2 1 -4.3644607427275 977052 CN1C=CC=C1C2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC=CO4 1 3.041 4 2 -3.89472367948472 977051 COC1=CC=CC(=C1)C2=NN(C=C2CO)C3=CC=CC=C3 1 3.382 2 2 15.9724523508439 977048 CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)Br 1 5.601 2 0 -2.94263057362806 977046 COC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2C(F)(F)F 1 5.292 2 1 -5.03852150415634 977044 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CO3)C#N 1 3.277 3 1 9.16938021052008 977043 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NC=CS2 1 2.774 3 2 -12.1525469402332 977038 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NCC3=CC=CS3 1 2.341 3 1 -5.8221159975792 977032 C1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 4.301 3 2 4.91472046993362 977021 CC1=CC(=CC(=C1Cl)C)OC(=O)N2CCCCC2 1 4.353 1 2 -1.99560962341254 977019 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=NSN=C3 1 1.053 5 1 0 -5.65381737441657 977018 COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CO2)OC 1 2.644 2 4 -16.2208333782365 977017 C1COCCN1C2=NC(=NC(=N2)C(=O)N)N3CCOCC3 1 -1.449 6 3 0 -3.29693975739525 977015 C1=CC(=CC(=C1)NC(=S)NC2=CC(=CC=C2)Cl)C(F)(F)F 1 5.973 2 0 2.84097841292545 977007 CN1C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=N1 1 1.614 4 2 0 -9.79137342591315 977006 C1=CC(=CC=C1NC(=S)NC2=C(C=C(C=C2)Cl)Cl)F 1 5.901 2 0 -1.21967304253912 977005 CC1=CC(=NN1S(=O)(=O)C2=C(C=CC(=C2)F)OC)C 1 2.248 2 3 -9.98591576795594 977002 CSC1=NC(=NN1C(=O)C2=CC=CO2)C3=CC=CO3 1 2.738 3 3 0.421234019964648 977001 C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NC2=CC(=CC=C2)Cl 1 5.973 2 0 -1.97408026483153 976994 CN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)N=N1 1 2.072 6 1 0 -2.05838395648465 976991 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C(=O)N 1 3.035 3 3 5.3360473742488 976990 CN(C)C1=NC(=NC(=N1)NCC2=CC=CC=C2)SCC(=O)OC 1 2.219 5 2 0 -11.9999462497892 976987 CC1=NN2C(=CC(=NC2=C1)C3=CC=CO3)C(F)(F)F 1 3.098 3 1 -4.31412755497641 976985 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C(=O)NCC3=CN=CC=C3 1 1.65 3 3 0 -12.1309789668551 976981 CS(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3N2)[N+](=O)[O-] 1 3.425 3 4 0 -5.86807807509177 976976 CC1=[N+](C2=CC=CC=C2N(C1=O)OCC3=CC=CC=C3C(=O)OC)[O-] 1 1.395 2 5 0 -10.78763096998 976971 CC1=CC(=C(C(=C1Cl)C)S(=O)(=O)NCC2=CN=CC=C2)OC 1 2.794 2 3 -0.401860400667075 976967 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)N3CCOCC3 1 0.836 3 3 0 -7.16580514906223 976966 CC1=[N+](C2=CC=CC=C2N(C1=O)OCC3=CC=CC=N3)[O-] 1 0.604 3 3 0 -7.52959791574485 976964 CCC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3 1 2.817 1 5 -12.2647974973835 976955 C1COCCN1C(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=O 1 1.626 1 4 0 -9.33167885591587 976954 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)N3CCCCCC3 1 4.636 2 1 -6.17892790064852 976952 CC1=CC=C(C=C1)N(C)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.862 4 1 -2.9816550089222 976951 CN1C=CC=C1C2=NC3=CC=CC=C3N2CC4=CC=CC=C4 1 4.651 3 0 -4.37281011269451 976948 CC1=CC(=CC=C1)NC(=S)NC2=C(C=CC(=C2)Cl)OC 1 5.5 2 1 -2.39745136729071 976947 CC1=CC(=CC(=C1)NC(=S)NC2=CC(=C(C=C2)Cl)Cl)C 1 6.667 2 0 -2.48706689352069 976943 C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl 1 4.814 2 1 -3.78900450868222 976941 CN1C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)N=N1 1 2.2 4 3 0 -9.47297859281736 976936 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C=NC3=CC=CC=C32 1 3.699 2 3 -5.99704645639717 976931 CC1=NC(=C(N1)[N+](=O)[O-])SCCC(C)C 1 2.658 3 2 -7.30762311639785 976927 CCC1=CC=C(O1)C(=O)NC2=NOC(=C2)C 1 1.961 2 3 0 -11.3426920590744 976917 CC(=O)CSC1=NC(=NC(=N1)N(C)C)N(C)C 1 0.716 5 1 0 -8.12516704884094 976913 CC1=NC2=C(S1)C=C(C=C2)NC(=O)N3CCSCC3 1 1.929 3 1 0 -4.82259017003501 976910 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C(=O)NC4=NC=CS4 1 2.634 5 1 3.26591464396869 976901 C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4 1 3.184 4 1 3.69230523035908 976899 CCCC(=O)C1=CN(C(=C1)C2=NC3=CC=CC=C3N2C)C 1 3.93 3 1 -2.13668795244064 976896 COC1=CC=C(C=C1)C(=O)NCC2=CC=C(O2)C(=O)O 1 1.708 1 5 0 -10.0103208519859 976892 CC(=O)C1=CN(C(=C1)C2=NC3=CC=CC=C3N2C)C 1 2.807 3 1 7.06975449853348e-002 976890 CC1=CC=C(C=C1)C(=O)NCC2(CCOCC2)C3=CC=C(C=C3)OC 1 3.233 1 3 -17.6818849638643 976884 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCCC2 1 2.298 2 3 -14.6114948345144 976883 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3CCCC3 1 3.478 1 3 -13.3732864642318 976873 CC1=CC(=C(C=C1C)Br)N2C(=CC(=N2)C)C 1 4.205 2 0 -3.48887207465567 976872 CN(C)C1=NC(=S)N=C(N1)NCC2=CC=CC=C2 1 2.549 5 0 -3.57957812990543 976866 COC1=CC=CC=C1C2=NC(=NN2)SCC(=O)O 1 2.043 3 3 -8.12259720066102 976859 CCCC(=O)NC1=CC=C(C=C1)OCC(=O)OC 1 1.764 1 4 0 -15.1974136578435 976855 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N(C)C 1 3.1e-002 3 4 0 -24.6697618115028 976848 CSC1=NC(=NN1C(=O)CCC2=CC=CC=C2)C3=CC=CO3 1 3.833 3 2 -0.647756433026659 976847 COC1=CC(=C(C=C1)NC(=S)NC2=CC=CC=C2F)OC 1 4.539 2 2 -7.91877118043378 976838 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCC4=CC=CC=C43 1 2.908 1 4 -15.1733617946374 976825 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C3=CC=CC=C3N=N2 1 3.789 3 3 -7.4167764180737 976824 CC1=CC(=C(C=C1)C)OCC(=O)NC2=CNC(=O)NC2=O 1 0.285 3 4 0 -12.810089524524 976823 COC1=C(C=C(C=C1)C(=S)N2CCCCC2)Br 1 4.316 1 1 -4.7669902749525 976819 CCNC1=NC(=S)N=C(N1)NCC2=CC=CC=C2 1 2.692 5 0 -4.44126784093 976814 CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3CCCCC3 1 1.928 2 3 0 -12.8835621030541 976810 COC(=O)COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)Cl 1 2.969 1 4 -8.27776689420836 976805 CCOC(=O)N1CCC(CC1)NC2=NC(=NC(=N2)OC)OC 1 1.174 5 4 0 -8.8093291259691 976794 CN1C2=C(C=C(C=C2)C(=O)N3CCSCC3)N=N1 1 1.487 4 1 0 -4.53733712408 976793 C1CC1C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 1.888 2 3 0 -5.41446037764861 976782 CCNC1=NC(=NC(=N1)NCC2=CC=CC=C2)SCC(=O)N 1 1.509 6 1 0 -10.3555835479157 976780 CCCN1C(=O)C2=CC=CC=C2NC1=S 1 3.014 2 1 -4.8682654479493 976779 CC1=C(C=CC(=C1C)S(=O)(=O)NC2=CC=CC=N2)OC 1 2.662 2 3 -1.3501084910973 976771 C1=CC(=CN=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 1.643 3 3 0 -6.30946810853993 976770 C1=CC(=CC(=C1)NC(=O)CC2=CC=CS2)C(=O)NC3=CC=CO3 1 2.615 2 3 -11.3048984400075 976767 C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C=C3 1 4.121 1 3 -2.83163522459098 976766 C1=CC=C2C(=C1)N(C(=O)C=[N+]2[O-])OCC3=CC=CC=N3 1 0.526 3 3 0 -4.97102456071647 976759 CC(C)(C)CC1=NC(=NO1)C2=CC=C(C=C2)Cl 1 3.726 2 1 4.49956907916225 976757 CCOC(=O)N1CCN(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)C 1 1.705 4 3 0 -5.78284607066067 976753 C1CCC(C1)(C2=CC=CC=C2)C(=O)NC3=NN=CS3 1 2.543 3 1 -10.4539776051871 976749 CCC(=O)OC1=CC=C(C=C1)C(=O)NC2=CNC(=O)NC2=O 1 -8.9e-002 3 5 0 -18.8336777815657 976747 CCOC(=O)N1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=O 1 0.33 4 4 0 -12.1591762888516 976746 CC1=CC(=NC(=C1C#N)SCC2=CC3=C(C=C2)OCO3)C 1 3.759 2 2 -11.11131206215 976745 CC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4 1 2.606 4 1 -2.21985827129771 976744 CN1C=C(C=C1C2=NC3=CC=CC=C3N2C)C(=O)C4=CC=CC=C4 1 4.471 3 1 0.356423196256943 976743 COC1=C(C=C(C=C1)NC(=S)NC2=CC(=CC=C2)Cl)OC 1 4.998 2 2 -6.21693254976848 976736 CC1=NN=C(S1)SCC2=CC3=C(C=C2)OCO3 1 2.458 2 2 -12.3481601137269 976732 COC(=O)COC1=CC=CC(=C1)NC(=O)C2=CC=CS2 1 2.258 1 4 -10.825109435665 976727 CON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=C(C=C3)Cl)[O-] 1 2.294 2 3 -3.12424378365371 976723 C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)O)[N+](=O)[O-] 1 2.267 2 4 -5.46596979348059 976722 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NSN=C3 1 1.664 4 1 0 -4.80342268071166 976717 CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O 1 1.588 1 4 0 -15.9743707084734 976714 CC1=C(C=C(C=C1)NC(=O)C2(CCOCC2)C3=CC=C(C=C3)OC)C 1 3.712 1 3 -9.91608120003282 976709 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=NSN=C3 1 1.255 4 2 0 -8.53713980957349 976706 CN1C2=C(C=C(C=C2)C(=O)NC3=CN=CC=C3)N=N1 1 1.274 5 1 0 -5.34897284729564 976705 COC1=CC=C(C=C1)N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C 1 0.416 3 4 0 -13.2138801507994 976704 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O 1 2.638 2 6 0 -7.64100738964154 976703 CCN(CC)C(=O)CSC1=NC(=O)C=C(N1)C2=CC=CC=C2 1 2.166 3 2 -18.5316448254362 976702 CC1=C(C(=C(O1)C)C(=O)O)CNC(=O)C2=CC=C(C=C2)OC 1 1.629 1 5 0 -8.98003334233189 976691 C1COCCN1C2=C(N=C(O2)COC3=CC=CC=C3)C#N 1 1.769 3 3 0 -8.54348522230381 976690 CC1=CC2=C(C=C1)N(C3=NC4=CC=CC=C4N=C23)CCN5CCOCC5 1 3.933 4 1 -2.08259977914055 976676 CSC1=NC(=NN1S(=O)(=O)C2=CC=CC=C2)C3=CC=CO3 1 3.046 3 3 -2.86303049316505 976675 C1CC1C(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 1 2.932 3 2 1.52004186419387 976670 CC1=CC(=NN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N)C 1 1.504 4 3 0 -7.95524012936886 976662 COC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC=CS2 1 2.458 1 3 -10.3121982578415 976659 COC1=CC=C(C=C1)C2(CCCC2)C(=O)NCCC3=CC=CC=C3 1 4.381 1 2 -8.72617891128783 976646 C1=CC(=CC(=C1)O)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.11 2 3 -4.71476315544439 976642 C1CCC2=C(CC1)N(C(=N2)C(=O)C3=CC4=CC=CC=C4O3)O 1 1.843 2 3 0 2.47321476827992 976627 COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2)OC 1 3.462 2 3 -14.8821616084736 976622 CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)O 1 2.868 2 3 -8.88029509665726 976619 CC1=C(C=CC(=C1C)S(=O)(=O)NCCN2CCOCC2)OC 1 1.523 2 4 0 -6.42536965708876 976614 CC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.853 3 3 -7.10956065962964 976612 COC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Br 1 3.253 1 3 -9.01103691330221 976601 CCN(CC)C(=O)CSC1=NN=C(N1N)COC2=CC=CC=C2 1 1.509 5 2 0 -19.9107227543981 976599 COC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC=CC=C2F 1 5.22 2 1 -3.73128226420345 976597 CCC1=CC=CC2=C1N(C=C2C#N)CC(=O)OCC 1 3.206 2 2 -6.58840696987343 976589 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NN=CO3 1 1.913 3 2 0 -4.23879744339424 976575 C1=CC(=CC(=C1)F)NC(=S)NC2=CC=C(C=C2)Br 1 5.32 2 0 -1.42220907256657 976573 CCOC1=C(C(=C(C=C1)S(=O)(=O)N2CCCCC2)C)C 1 3.168 1 3 -10.7590778104679 976572 CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC=CS2 1 -0.204 3 3 0 -25.7859896071994 976569 CNC1=NC(=NC(=N1)N2CCOCC2)OC 1 5.8e-002 5 2 0 -6.1750366859473 976566 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NCCC(=O)O)Cl 1 0.458 2 6 0 -10.9357600197915 976556 COC1=CC=C(C=C1)C2=NN(C(=N2)SC)C(=O)C3=CC=CO3 1 3.326 3 3 8.37160311282067e-002 976552 CCOC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 1.773 2 4 0 -10.8302394620726 976549 CCNC1=NC(=NC(=N1)SCC(=O)C)NCC 1 1.002 5 1 0 -9.35554156649787 976530 CCCC(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-] 1 4.086 2 3 -9.3845467277732 976529 C1COCCN1C2=CC=C(C=C2)NC(=O)NC3=NSN=C3 1 1.274 5 2 0 -5.23830354643259 976523 CNC1=NC(=NC(=N1)N2CCOCC2)SC 1 0.616 5 1 0 -3.95264455650219 976512 CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CC=C3 1 2.002 2 3 -13.3488437538541 976509 C1=CC=C(C(=C1)NC(=S)NC2=C(C=C(C=C2)Cl)Cl)Cl 1 6.36 2 0 -1.22511489657334 976504 CCC(=O)N1C(=NC(=N1)C2=CC=CO2)SCC3=CC=CC=C3 1 3.929 3 2 -4.80029061730045 976503 C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)O 1 0.892 3 4 0 -21.8320511913362 976500 CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 2.614 3 2 -8.87917715467005 976493 C1COCCN1C(=O)CSC2=NNC(=N2)N 1 -0.599 5 2 0 -10.6693723183768 976486 CCC(CC)C(=O)NC1=CC(=CC(=C1)C(=O)O)NC(=O)C(CC)CC 1 3.784 2 4 -9.73704229130007 976485 CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C)O 1 2.763 2 4 -7.62643612422822 976484 CC1=CC=C(C=C1)CSCC(=O)NC2=CC3=C(C=C2)OCO3 1 3.269 1 3 -11.8566619233198 976471 COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)F 1 4.555 2 1 -5.60217293689709 976468 C1=CC(=CC=C1NC(=S)NC2=C(C=CC(=C2)Cl)Cl)F 1 5.901 2 0 -1.14751207844144 976467 C1=CC(=CC(=C1)Cl)OCC2=NC(=C(O2)NCC3=CC=NC=C3)C#N 1 2.825 4 2 -4.90566899458868 976459 CCOC1=CC=CC=C1NC(=S)NC2=CC=CC=C2F 1 4.904 2 1 -7.74727253753342 976454 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C(=O)O 1 2.482 3 2 6.91284643504367 976452 CN(C)C(=O)C1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4 1 4.012 3 2 9.88939729151204 976450 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC=CC=C2 1 3.408 2 2 -13.5681079076438 976447 CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2 1 3.147 2 2 -15.806275513518 976437 CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O 1 2.681 1 6 0 -7.80684293133077 976434 CC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)Br 1 5.601 2 0 -5.96342345895438 976432 CC1=CC=C(C=C1)N(C)C(=O)OC2=CC=CC3=C2N=CC=C3 1 4.048 2 2 -5.57310535484157 976431 CC1=C(C=CC=C1Cl)NC(=S)NC 1 3.662 2 0 -4.84794153411438 976424 CC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)C 1 3.618 1 2 -4.06789289965893 976409 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC3=C(C=C2)SC=N3 1 3.373 2 2 -5.60037511150352 976403 CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CO3 1 1.767 2 4 0 -16.1949938829269 976402 C1=CC=C(C(=C1)NC(=S)NC2=CC=C(C=C2)Br)F 1 5.32 2 0 -4.65358182997577 976400 CC1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)N)C 1 1.69 2 2 0 -5.68605058918541 976399 CC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)N=C(S3)C 1 4.092 1 2 -6.61968710212902 976396 CC1=CC=C(C=C1)CSCC(=O)NC2=CC=CC=C2C(=O)O 1 3.131 1 3 -12.4112246187748 976394 CN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)N=N1 1 2.684 5 1 -1.20798926277974 976391 COC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)F 1 2.281 1 5 -4.69083314379108 976388 CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC 1 4.682 2 2 -5.0454016603093 976387 CN(C)C(=O)C1=CN(N=C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 1 3.311 4 3 0 3.08574815460126 976384 CCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)SC 1 2.934 3 2 -0.914776815205692 976376 CC1=CC(=NN1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C 1 1.744 2 4 0 -6.4606798700179 976372 CC1=C(C=CC=C1Cl)NC(=S)NC2=CC(=CC=C2)OC 1 5.5 2 1 -2.98815856194979 976365 CC1=[N+](C2=CC=CC=C2N(C1=O)OCC3=CC(=CC=C3)F)[O-] 1 1.745 2 3 0 -4.30204861113212 976364 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC2CCCC2)Cl 1 2.131 2 4 -8.54035221651072 976363 COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CO3)SC)OC 1 3.31 3 4 0 -2.76483943992486 976348 CC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OCC(=O)OC 1 2.791 1 4 -10.0997655847952 976347 COC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] 1 4.244 3 3 -6.45898969018535 976346 CC1=CC(=NC(=N1)SC)SCC(=O)OC 1 2.184 2 2 -10.6238627075522 976339 CN(C)C(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3 1 3.37 3 1 1.90344553678921 976338 CN(C)C(=O)OC1=CC=C(C=C1)C2=NN=CO2 1 1.098 3 3 0 -3.37134776765152 976329 CSC1=NC(=NN1C(=O)C2=CC=CS2)C3=CC=CO3 1 3.296 3 2 -1.43393155994628 976327 CC1=C(C(=CC=C1)C)NC(=S)NC2=CC=C(C=C2)F 1 5.544 2 0 -4.71203694280328 976324 CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3O 1 1.405 2 4 0 -7.28845812506334 976322 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)O 1 3.58 1 2 11.665599260613 976319 C1COCCN1C(=O)CC2=NN=C(S2)NC(=O)C3=CC=CS3 1 0.585 4 3 0 -18.6004432443964 976314 C/C=C(\C)/C1=NN=C(S1)NC(=O)C2=CC=CO2 1 2.29 3 2 -7.54207859672672 976313 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC(=CC=C3)F 1 4.338 1 1 -0.106801535740514 976312 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=NC=C3 1 2.982 2 1 -2.21770332118644 976308 C1CCC(C1)CCC(=O)NC2=CC=CC(=C2)C#N 1 3.201 2 1 -10.0259831670459 976298 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NCC3=CC=CO3 1 3.321 1 2 -7.46114997106875 976293 C1=CC(=C(C(=C1)Cl)COC(=O)C2=CC=NC=C2)Cl 1 3.447 1 2 -5.00832368796619 976292 CCOC(=O)C1CCN(CC1)C(=O)CCC2CCCC2 1 2.627 1 3 -11.4564314020249 976290 CC1(CC(CC(N1)(C)C)NC(=O)CCC2CCCC2)C 1 2.485 2 1 -16.8722505003362 976289 C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCN3C=NC=N3 1 2.995 3 2 -6.21258155194508 976285 CC1=CSC2=NC(=O)C(=NN12)C3=CC=CC=C3 1 2.166 3 1 -7.45813414744587 976284 C1=CC(=C(C(=C1)Cl)COC(=O)C2=CN=CC=C2)Cl 1 3.447 1 2 -6.73480672247068 976282 CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CN=CC=C3)OCC 1 2.659 3 3 -0.38966473393056 976280 C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)COC(=O)C3=NC=CN=C3 1 2.828 2 4 -10.7087069072338 976277 CC(C)OC(=O)C1=CC=C(C=C1)COC(=O)C2=NC=CN=C2 1 1.977 2 4 0 -11.5330963217981 976275 CC1=CC(=C(C=C1)C(C)C)OCCN2C(=O)C(NC2=O)(C)C 1 3.154 2 3 -3.91315179807325 976274 C1CCN(CC1)C(=O)C2=CC=CC=C2C3=CC=CC=C3 1 3.679 1 1 -3.63818410027227 976271 C1COCCN1CCNC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 2.382 2 2 -7.47739732484909 976270 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NCC3=CC=CC=N3 1 3.204 2 1 -7.5834356604616 976269 C1CCC(C1)CCC2=NC(=NO2)C3=CC=NC=C3 1 2.702 3 1 2.29989129149169 976268 CC(C)COC(=O)NC1=NN=C(S1)SCC2=CC=CC=C2F 1 4.131 3 2 -17.7032594727205 976262 COC1=C(C=C(C=C1)NC(=O)CCC2CCCC2)OC 1 3.289 1 3 -13.4556386856226 976259 C1CCC(CC1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 4.414 1 1 -4.29555242463509 976253 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=C(C=C(C=C3)F)F 1 4.544 1 1 -1.40003554191096 976250 CC(=O)NC1=CC=CC=C1NC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 3.253 2 2 -6.39740253412074 976247 C1=CC(=C(C(=C1)Cl)COC(=O)C2=NC=CN=C2)Cl 1 2.725 2 2 -7.18564879228619 976241 CCOC(=O)NC1=NN=C(S1)/C(=C/C)/C 1 2.223 3 2 -7.93185365965387 976235 CCOC(=O)N1CCN(CC1)C(=O)CCC2CCCC2 1 2.16 2 3 -8.49253376750291 976233 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NN3C=NN=C3 1 1.751 4 1 0 -3.92222494061565 976228 COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 4.116 1 2 -1.95406801582744 976225 CC1=C(C(=CC=C1)OCC2=CC=C(C=C2)C(=O)OC)C 1 4.224 0 3 -0.87221545715462 976217 C1CCN(C1)C(=O)C2=CC=CC=C2C3=CC=CC=C3 1 3.223 1 1 -3.28371558610419 976214 C1CCCN(CC1)C2=NC(=CS2)C3=CC=CC=C3 1 3.689 2 0 3.18631646969132 976213 CC(C)NC(=O)C1=CC=CC=C1C2=CC=CC=C2 1 3.282 1 1 -8.76298227780569 976212 CN(C)C(=O)C1=CC=CC=C1C2=CC=CC=C2 1 2.762 1 1 -2.06643787310141 976211 C1=CC=C(C=C1)C2=CC=CC=C2C3=NC(=NO3)C4=CN=CC=C4 1 3.513 3 1 3.04908451408714 976209 C1COCCN1C(=O)C2=CC=CC=C2C3=CC=CC=C3 1 2.45 1 2 -5.20648055004786 976200 CC1=CSC2=NC(=O)C(=NN12)C3=CC=CC=C3NC(=O)C 1 1.286 4 2 0 -12.0700967754958 976199 C1CC2=C(C1)C=C(C=C2)OCCN3C=NC=N3 1 2.485 3 1 -7.599373197086 976197 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 4.116 1 2 -2.21337918399032 976195 C1=CC(=CC=C1SCCN2C=NC=N2)Cl 1 2.65 3 0 -2.56680446219615 976192 C1=CC=C(C(=C1)C#N)OCCN2C=NC=N2 1 1.306 4 1 0 -7.63600498042256 976191 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C)OCC 1 2.399 2 4 -14.7054956337491 976184 CCCC(CCC)C1=NN=C(S1)NC(=O)C2=CC=CO2 1 3.698 3 2 -11.456117166321 976183 COC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3C4=CC=CC=C4 1 4.647 2 2 6.8307845199614 976182 CN(C)CCNC(=O)C1=CC=CC=C1C2=CC=CC=C2 1 2.695 2 1 -2.94369316812655 976173 C/C=C/C1=CC(=C(C=C1)OCCN2C=NC=N2)OC 1 2.365 3 2 -9.59794035354254 976171 COC1=C(C=CC(=C1)CC=C)OCCN2C=NC=N2 1 2.419 3 2 -12.4847909037625 976170 CNC(=O)C1=CC=CC=C1C2=CC=CC=C2 1 2.556 1 1 -4.33295498727219 976163 CC1=CC(=C(C=C1)OCCN2C=NC=N2)[N+](=O)[O-] 1 1.808 4 3 0 -7.28447271291232 976162 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCC2CCCC2)OC 1 3.144 1 5 -17.0912492646708 976155 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=CC=C3F 1 4.338 1 1 -3.13336732409482 976149 CCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 4.465 1 2 -6.20348167351642 976141 C1=CC(=O)C(=C2C1=CC3=C(O2)NC4=C3C=C(C=C4)Br)O 1 2.821 1 3 0.587581066945831 976139 CC1=[N+](C2=CC=CC=C2N(C1=O)OCC3=CC=CC=C3F)[O-] 1 1.745 2 3 0 -6.29321917737223 976135 CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3)OCC 1 2.659 3 3 2.15303919040824 976133 CC1=C(C=CC(=C1)OCCN2C=NC=N2)[N+](=O)[O-] 1 1.808 4 3 0 -10.5150948606 976124 C1=CC=C(C=C1)CC2=CC=C(C=C2)OCCN3C=NC=N3 1 3.402 3 1 -6.48400556973592 976122 CCOC1=C(C=C(C=C1)C(=O)NCCC2=CCCCC2)OCC 1 4.03 1 3 -15.9251118602369 976119 C1=CC=C(C=C1)C2=CC=CC=C2OCCN3C=NC=N3 1 2.946 3 1 -3.64421933139663 976109 C1=CC=C(C=C1)OC2=CC(=CC=C2)OCCN3C=NC=N3 1 2.988 3 2 -3.84972383350404 976107 CC1=C(C=C(C=C1)C(C)C)OCCN2C=NC=N2 1 3.108 3 1 -4.15052547054615 976095 CCCC(=O)NC1=NN=C(S1)CC(=O)N2CCCC2 1 0.863 4 2 0 -21.0903495824003 976089 CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)OCC 1 3.047 1 5 -13.3733265409705 976083 CCC(=O)C1=CC=C(C=C1)OCCN2C=NC=N2 1 1.834 3 2 0 -10.9855137223847 976078 C1CCC(CC1)C2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)F 1 3.516 3 2 -7.4200525949101 976075 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2C3=CC=CC=C3 1 2.971 2 3 -3.91911352892084 976071 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NCC3=CN=CC=C3 1 2.989 2 1 -7.83055269693552 976069 C/C=C(\C)/C1=NN=C(S1)NC(=O)C(C)C 1 2.36 3 1 -10.2089754962158 976063 COC1=CC=C(C=C1)OCCN2C=NC=N2 1 1.411 3 2 0 -5.93188439642989 976061 CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)OC 1 3.22 3 2 -14.5209900416647 976059 C1CCC(C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 3.958 1 1 -3.94108391046701 976058 C1=CC=C(C=C1)C2=CC=CC=C2C3=NC(=NO3)C4=CC=CC=C4 1 4.663 2 1 5.57882821202963 976048 CC(C)N(C(C)C)C(=O)C1=CC=CC=C1C2=CC=CC=C2 1 4.215 1 1 -2.1597395720643 976045 CC1=CC(=C(C(=C1)CC=C)OCCN2C=NC=N2)C 1 3.408 3 1 -7.27400770324495 976043 C1=CC(=C(C(=C1)Cl)Cl)OCCN2C=NC=N2 1 2.756 3 1 -3.64253698772326 976042 CCOC(=O)N1CCN(CC1)C(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.689 3 3 -3.62534833223651 976041 COC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C 1 1.766 1 4 0 -15.8137262560442 976038 CC1=C(C=C(C=C1)F)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 3.852 2 2 -9.28569001535077 976022 CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NC3=NC=CC=N3 1 3.303 3 1 -4.06568098899083 976020 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=CS3 1 2.845 2 2 -6.26531945663655 976018 C1CN(C2=NC3=CC=CC=C3N21)S(=O)(=O)C4=CC=C(C=C4)Cl 1 3.269 3 2 -5.93164708787309 976017 CCC(CC)C1=NN=C(S1)NC(=O)CC2=CC=CS2 1 3.379 3 1 -14.100004627304 976009 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)NC2=CC=CC=C2Cl 1 2.806 3 3 -8.09368967098552 975989 CCOC(=O)CS(=O)(=O)C1=CC2=CC=CC=C2C=C1 1 2.32 0 4 -8.69849399863055 975985 COCC1=CC(=CC=C1)NC(=O)CCC2=CC=CC=C2 1 2.909 1 2 -8.61954606606203 975983 CN(C1=CC=C(C=C1)C(=O)NCC2=CC=CO2)S(=O)(=O)C 1 0.92 2 4 0 -15.01971548879 975979 CC1=NC(=CC=C1)NCC2=CC=C(C=C2)Br 1 3.641 2 0 1.48673854197327 975977 CC1=C(C=CC(=N1)NC(=O)CCC2=CC=CC=C2)Br 1 3.525 2 1 -6.71107698183873 975960 CCN1C=NC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C 1 3.171 3 1 -7.00188770151791 975959 CC1=CC(=NC(=N1)SCC(=O)N(C)C)C 1 0.944 3 1 0 -10.974027641318 975958 C1CN(C(=O)N1C2=CC=CC=C2)C3=CC=CC=C3 1 2.753 2 1 -5.09987281199891 975943 CCOC(=O)C1CCN(CC1)C(=O)CC2=CC=CC3=CC=CC=C32 1 2.863 1 3 -10.0646348613329 975939 CCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)CC)F 1 3.396 2 1 -1.73498739964861 975931 C1CC1NC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 1.457 2 3 0 -12.5103796063698 975930 CC1=C(C=CC=C1NS(=O)(=O)C)C(=O)OC 1 1.082 1 4 0 -7.91160081868704 975925 CCOC1=CC=C(C=C1)S(=O)(=O)NC2CCCCCC2 1 3.388 1 3 -8.23636618941261 975916 CCOC(=O)CSC1=C(C2=C(N1)C=C(C=C2)OC)[N+](=O)[O-] 1 2.723 2 5 0 -6.92264688817405 975895 CC(C)(C)C(=O)N1CCN2C1=NC3=CC=CC=C32 1 2.784 3 1 -5.01489649973815 975894 C1CN(C2=CC=CC=C21)C(=O)CSC3=NCCS3 1 2.776 2 1 -17.6257815995679 975892 C1=CC=C(C=C1)NCC2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-] 1 4.683 2 3 -3.436109753039 975891 CC1=CC=C(C=C1)CNC(=O)CSC2=NC=CC=N2 1 2.243 3 1 -12.4665248473491 975888 CC1CCN(CC1)C(=S)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.731 2 2 -10.4335670157524 975884 CC1=CC(=NC(=N1)SCCC(=O)NC2=CC=CC=C2OC)C 1 2.547 3 2 -14.253361246556 975870 CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 1.52 2 4 0 -11.74463191055 975862 COC1=C(C=C(C=C1)Cl)C2=NC(=NO2)C3=CC=NC=C3 1 2.642 3 2 7.19020698594895 975853 CCN1C(=NN=C1SC)C2=NN=C(N2CC)SC 1 2.166 6 0 -3.69248493439112 975848 C1=CC(=C(C=C1NC(=O)NCCC2=CC=NC=C2)Cl)Cl 1 3.029 3 1 -4.53585758408737 975847 CC(C)N1C2=CC=CC=C2N=C1NCC3=CC=C(C=C3)OC 1 3.722 3 1 -3.24283947708451 975846 C1CSC(=N1)SCC2=CC=CC=C2C#N 1 3.322 2 0 -11.1553719893449 975842 CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2O1 1 3.567 1 2 -7.13846198825919 975834 CC1=C(C(=CC=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F 1 3.754 2 2 -11.5368367848249 975822 C1CN(C2=NC3=CC=CC=C3N21)C(=O)NC4=CC=CC=C4 1 2.81 4 1 -2.94946788343771 975808 CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)CSC2=CC=CC=N2 1 3.388 2 2 -9.65241161371695 975807 CC1=CC(=O)OC2=C1C=C(C=C2)OCC(=O)OC 1 2.036 0 5 -9.34430865254349 975806 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C 1 1.471 2 4 0 -12.284713513407 975800 CCN1C2=CC=CC=C2N=C1NCC3=CC=C(C=C3)N(CC)CC 1 4.221 4 0 -7.21035619702217 975799 COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)OC)OC)Cl 1 3.036 4 3 0 -3.69818316677905 975790 CC1=CC(=C(C=C1C(=O)C)F)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.7 2 3 -5.32312808292512 975787 CC1=CC(=C(C=C1C(=O)C)F)N2CCN(CC2)C(=O)C(C)(C)C 1 3.187 2 2 -8.42396056548839 975784 COC1=C(C(=C(C=C1)S(=O)(=O)NC2=CN=CC=C2)Cl)Cl 1 2.479 2 3 -3.54849341869472 975783 CC1=CC(=NC(=C1C#N)NCC2=CC=C(C=C2)OC)C 1 3.242 3 1 -4.83166628495916 975769 CC1=NC(=CC=C1)NCC2=CC=CC3=CC=CC=C32 1 3.801 2 0 3.41105299986383 975767 CC1=CC(=NC=C1)NCC2=CC=CC=C2OC 1 2.608 2 1 -1.35212749587819 975762 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC3=CN=CC=C3 1 2.407 2 1 -4.75358940380849 975753 CCN(CC)C1=CC=C(C=C1)CNC2=NC=C(C=C2)Br 1 3.746 3 0 -7.69545452883164 975740 CCC(CC)C1=NN=C(S1)NS(=O)(=O)CC2=CC=CC=C2 1 3.101 3 2 -10.8830326843554 975734 CN(C1=CC=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C 1 1.434 2 4 0 -4.9194104320525 975732 C1CCC(CC1)N(C2=CC=CC=N2)C(=O)COC3=CC=C(C=C3)F 1 4.108 2 2 -6.20566831155465 975730 CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)OC)C 1 3.975 2 1 -9.32566344460469 975723 CC1=CC(=NC=C1)NCC2=CC=C(C=C2)OC 1 2.608 2 1 0.151028086290924 975714 CC1=NC(=CC=C1)NCC2=CC=C(C=C2)N(C)C 1 3.055 3 0 -1.53988678212477 975713 CC1=NC2=NC(=NN2C(=C1)C3=CC=CC=C3)N 1 2.244 5 0 1.29600526890578 975712 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3OC2=O 1 2.386 2 5 0 -9.12453716148942 975710 CC1=CC=C(C=C1)CNC(=O)CSC2=NN=NN2C 1 1.353 5 1 0 -23.0892421805548 975708 COC1=CC=CC=C1CNC2=NC=C(C=C2)Br 1 2.87 2 1 -4.65690408027364 975702 CCC(CC)C1=NN=C(S1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 3.32 4 3 0 -16.0600498779652 975701 CC1=CC(=NO1)NC(=O)NC2=CC=CC=C2Cl 1 2.326 3 2 -12.622001052887 975698 CC1CCN(CC1)C(=O)COC2=CC3=C(C=C2)OC(=O)C=C3C 1 2.764 1 4 -12.6281401107486 975693 CC1(C(=C)N(C(=O)O1)C2=CC(=CC=C2)Cl)C 1 3.114 1 2 1.18236674834367 975688 CC1=NN=C(S1)SC2=C(N(C(=O)N(C2=O)C)C)N 1 -0.263 5 2 0 -14.3549003189931 975684 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3)OC 1 2.555 1 5 -3.78532803424505 975682 CCC(CC)C1=NN=C(S1)NC(=O)C2=CC=CO2 1 2.786 3 2 -9.95819499634133 975672 CC1=CC(=NC=C1)NCC2=CC=C(C=C2)Br 1 3.372 2 0 0.929333240920444 975667 C1COCCN1C(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl 1 2.056 2 3 -7.28071102242155 975666 CC1=NN=C(S1)NC(=O)CCN2C=NC3=CC=CC=C3C2=O 1 0.575 5 2 0 -14.2729551977995 975665 C1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2O 1 1.947 1 4 0 -3.56058758274402 975656 C1CCN(C1)C(=O)CSC2=CC=CC3=C2N=CC=C3 1 2.284 2 1 -9.25311842113736 975650 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3 1 2.418 1 5 -5.21964936568879 975644 C1=CC=C2C(=C1)N=C(S2)COC3=CC=C(C=C3)F 1 3.879 1 1 3.28408962020933 975641 C1=CC=C(C=C1)SCC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 4.135 1 2 -4.86261256693708 975638 C1CCC(CC1)NC(=O)CSC2=NCCS2 1 2.777 2 1 -17.0099816605377 975628 CC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC3=CC4=C(C=C3)OCO4 1 3.957 1 4 3.86035048493037 975625 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CSC3=NC4=CC=CC=C4O3 1 3.715 1 4 -8.4931740181636 975620 CC1=CC(=NC=C1)NCC2=CC=C(C=C2)Cl 1 3.288 2 0 2.38599298602188 975615 CC1=CC(=NC(=N1)SCCC(=O)N2CCOCC2)C 1 0.88 3 2 0 -14.5392436551916 975609 C1COCCN1C2=C(C=C(C=C2)NC(=O)CCC3=CC=CC=C3)Cl 1 3.62 2 2 -6.6143237597951 975599 CN1C=CN=C1SCC(=O)NC2=CC3=C(C=C2)C(=O)OC3 1 1.251 3 3 0 -12.3611340199698 975595 CC(C)(C)C1=CC=C(C=C1)SCC(=O)N 1 2.626 1 1 -0.583285250669728 975588 CN(C)C1=CC=C(C=C1)CNC2=CC=CC=N2 1 2.772 3 0 -2.656023063561 975586 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC(C)C 1 3.871 2 3 -9.87134461009825 975566 COC1=CC=C(C=C1)S(=O)(=O)N2CCN3C2=NC4=CC=CC=C43 1 2.588 3 3 -8.16661198760404 975565 CCOC(=O)CSC1=CC=CC2=C1N=CC=C2 1 2.614 1 2 -9.88686141100017 975564 CCOC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2 1 1.721 2 3 0 -5.87128487794351 975563 CCN(CC)C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2C 1 3.872 4 0 -5.93442870593652 975559 CN1C(=NN=C1SCC(=O)N2CCCC2)CCC3=CC=CC=C3 1 2.626 4 1 -15.8144584783006 975548 CCC(CC)C1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 3.882 3 1 -13.9613519477844 975546 C1COCCN1C(=O)CCSC2=NC3=CC=CC=C3O2 1 1.64 2 3 0 -9.88488899210953 975545 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)Cl 1 3.556 2 2 -2.11073791327098 975543 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NC3=CC=C(C=C3)NC(=O)C)C)C 1 3.788 2 3 0.310413613344576 975540 C1CCN(CC1)C(=O)CS(=O)(=O)C2=CC=CC=C2 1 1.538 1 3 0 -11.0054513664212 975535 C1=CC=C(C=C1)C(=S)NS(=O)(=O)C2=CC=C(C=C2)F 1 3.294 1 2 -2.83689517465128 975530 CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)NC2=CC=CC=N2 1 1.53 4 3 0 -8.24087659769563 975514 CC(C)NC(=O)CC1=C(C=CC2=C1C=CC(=C2)Br)OC 1 3.439 1 2 -8.5503059546368 975513 CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)C#N)C 1 3.87 3 0 -9.52048259503972 975512 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NC3=CN=CC=C3)C)C 1 3.517 2 2 2.90358720895203 975509 CC(=O)NC1=NN=C(S1)SCC(=O)C2=CC=C(C=C2)F 1 1.969 3 2 0 -12.8222918094408 975505 C1=CC=C(C=C1)OCC(=O)N(CC2=CC=CO2)C3=CC=C(C=C3)O 1 3.179 1 4 -3.80786625254382 975498 COC1=C(C=C(C=C1)CCNC2=NC(=NC(=N2)OC)OC)OC 1 2.684 4 4 0 -6.72644011774228 975496 COC1=C(C=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.909 3 2 -2.42570723707034 975495 C1=CC=C(C=C1)NC(=O)NCCC2=CC=NC=C2 1 1.7 3 1 0 -6.31260041567414 975490 CC1=CC=CC=C1OCC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 3.175 1 4 -5.13070332533666 975485 CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC(=C(C=C2)OC)C 1 3.257 1 4 -2.49923087911773 975482 CC1=CC=CC=C1CNC(=O)CCC2=CC=CC=C2 1 3.598 1 1 -13.7533451745674 975481 CC1=CC(=C(C=C1)F)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 3.852 2 2 -7.98476791734329 975473 C1=CSC(=C1)CC(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 3.938 1 1 -10.224444719732 975471 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=CC=C2)F)OC 1 2.992 1 3 0.962247196647278 975463 C1CCC2=C(C1)N=C(S2)NC3=NS(=O)(=O)C4=CC=CC=C43 1 2.584 3 2 -7.01260477957922 975455 CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)CSC2=NN=CN2N 1 1.413 5 2 0 -12.4234009572651 975450 CC1=CC(=NC(=N1)SCC(=O)C2=CC3=CC=CC=C3OC2=O)C 1 2.955 2 3 -12.5742645470154 975449 COC(=O)CSC1=C(C2=CC=CC=C2N1)[N+](=O)[O-] 1 2.391 2 4 -7.56246902642533 975444 CN(C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C 1 1.626 3 5 0 -12.0365905034718 975441 COC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2CC=C 1 3.613 3 1 -6.05680998122661 975437 CC1=CC(=C(C=C1)O)NC(=O)CC2=CC=CC3=CC=CC=C32 1 3.802 1 2 -0.912753946030236 975433 C1=CC=C2C(=C1)C=CC=C2CNC3=NC=C(C=C3)Br 1 3.795 2 0 -2.73617514050291e-002 975432 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCCC2 1 1.568 1 3 0 -9.75497321301695 975423 C1COCCN1C2=CC=C(C=C2)NC(=O)CC3=CC=CC4=CC=CC=C43 1 3.407 2 2 -5.14782818745294 975422 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NCC3=CC=NC=C3)C)C 1 3.524 2 2 1.29726261747424 975418 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N(C)C 1 1.107 1 3 0 -8.57540930759273 975414 CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CO3)F 1 2.214 2 3 -2.59594158185177 975411 COC1=CC=CC(=C1OC)C(=S)N2CCCC2 1 3.095 1 2 -5.60335019265268 975410 C1COC2=C(O1)C=CC(=C2)C(=O)CS(=O)(=O)C3=CC=CC=C3 1 2.397 0 5 -10.8572079601372 975409 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)OCC 1 1.488 2 5 0 -18.128052109117 975401 CC1=CC(=NC(=N1)SCC(=O)C2=CC3=C(C=C2)OCCO3)C 1 2.721 2 3 -9.73979948519691 975395 CC(C)C1=CC=C(C=C1)NC2=CC(=O)CC(C2)(C)C 1 3.898 1 1 -12.6226700727644 975392 CC1=CC(=C2C(=C1)C(=C3CCCCCC3=N2)C(=O)O)Br 1 4.857 1 2 -0.80905861767426 975382 CCCN1C2=C(N=C1OC)N(C(=O)N(C2=O)C)C 1 1.297 4 3 0 -12.8358799142703 975378 C1=CC(=CC=C1CSC2=NN=C(O2)C3=CC=NC=C3)F 1 2.85 3 1 -4.76214057417761 975375 CN(C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C 1 1.499 2 5 0 -12.9371403342886 975372 CCC1=CC=C(C=C1)NC(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C 1 1.201 5 3 0 -14.8887708863324 975368 COCC1=CC(=CC=C1)NC(=O)CC2=CC=CC3=CC=CC=C32 1 3.361 1 2 -5.61961832564216 975333 CC1=CC2=C(C=C1C)N(C=N2)CC(C)C 1 3.715 2 0 -2.41945660491184 975327 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=C(C=C2)NC(=O)C 1 2.218 1 4 -10.3750268166556 975319 CC1=CC(=C(C=C1Cl)OC)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 3.75 1 4 -11.3129703930736 975318 COC1=CC=CC=C1NC(=O)CCSC2=NN=C(O2)C3=CC=CO3 1 2.476 3 4 0 -14.6852238457905 975306 C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.083 2 5 0 -12.8331685287178 975302 COC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 2.473 2 3 -12.2435841322295 975300 CC(C)N1C2=CC=CC=C2N=C1NCC3=CC=C(C=C3)Cl 1 4.403 3 0 -1.00787457735356 975296 CC1=CC(=C(C=C1)NC(=O)CC2=CC=CC3=CC=CC=C32)O 1 3.802 1 2 -1.45202028864818 975290 CCOC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OCC)N 1 1.842 3 4 0 -7.66441969826995 975267 CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)NCC3=CC=C(C=C3)F 1 2.264 4 1 -12.6272817187097 975262 C1CN(CC=C1C2=CC=CC=C2)C(=O)NC3=CC=CC4=CC=CC=C43 1 4.146 2 1 -7.03144393788998 975260 COC1=C(C=C(C=C1)C(=O)NCCC2=CNC3=CC=CC=C32)[N+](=O)[O-] 1 3.114 3 4 0 -14.917706668151 975257 CC1=C(C(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N)C)C 1 1.879 2 3 0 -10.5026437486719 975254 C1CC(=CC(=O)C1)NCC2=CC=C(C=C2)Cl 1 2.639 1 1 -5.59048958772803 975246 C1=CC2=C(C(=C1)S(=O)(=O)N(CCO)CCO)N=CC=C2 1 5.4e-002 2 4 0 -8.31014402927866 975241 COC1=CC=CC=C1NC(=O)CN2CCCCC2 1 1.857 2 2 0 -8.1275433978643 975240 CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=CC=CS3 1 4.792 1 1 -3.22964288704124 975239 COC1=C(C=C(C=C1)Cl)NC(=O)CN2C3=CC=CC=C3OC2=O 1 2.83 2 4 -5.08331964088308 975238 CCC1=C(N=C(C(=C1C)C(=O)N)SCC)C 1 2.822 2 1 -6.55375096879962 975236 CC1=NN=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 -6.4e-002 4 4 0 -11.0325587574742 975216 COC1=CC=C(C=C1)C(=O)CCNC2=CC(=CC=C2)Cl 1 3.79 1 2 1.71965072743969 975205 CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)N3CCC4=CC=CC=C4C3 1 2.339 4 1 -15.0462519170904 975202 CC1=CN=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.373 3 3 0 -9.10890274558827 975201 CC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CO3 1 3.095 4 2 -4.74839683863186 975200 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NCCS2 1 1.917 3 3 0 -24.3638559751558 975197 C1C(=O)N(C(=O)N1)CC2=CC=C(C=C2)Br 1 1.377 2 2 0 -3.41807662341386 975186 C1=CC=C2C(=C1)C=CC=C2NC(=S)NCCC3=CC=NC=C3 1 4.174 3 0 -7.9400333747069 975181 C1COCCN1C(=O)OC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3 1 2.919 1 5 -10.0235772102638 975179 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NNC(=N3)C4=CC=CO4 1 2.04 4 3 0 0.778056073252537 975178 CCN(CC)CC(=O)NC1=C(C=C(C=C1)C)Br 1 2.888 2 1 -6.97076599715135 975176 CCOC(=O)C1=C(N=CN1)C(=O)NC2=CC=NC=C2 1 0.275 4 3 0 -10.4826445920373 975175 COC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 2.381 3 3 -10.8330744491926 975174 CN1C(=C(C2=CC=CC=C2S1(=O)=O)N)C(=O)C3=CC=CC=C3 1 1.073 2 3 0 -1.25183114374487 975173 CC1=CC(=C(C=C1OC)S(=O)(=O)N(C)C2CCCCC2)C 1 3.761 1 3 -1.93191251679233 975169 CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N(C)C 1 2.081 1 4 -7.32970611488706 975156 CNS(=O)(=O)C1=CC2=C3C(=C1)C=CC=C3C(=O)NC2=O 1 0.476 2 4 0 -12.3160836012603 975145 CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2C=O)Cl 1 3.359 1 3 -4.70561358242165 975144 COC1=CC=C(C=C1)C(=S)N2CCNCC2 1 2.072 2 1 -7.91254610283874 975143 COC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)N 1 3.307 4 2 1.95220680680162 975142 CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)NCC3=CC=CC=C3OC 1 2.042 4 2 -15.5876091183222 975138 C1=CC=C(C(=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CO3)Cl 1 3.273 4 2 -4.8451267937305 975129 CC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)O)C(=O)OC)C 1 4.151 1 3 -1.4507754950696 975128 C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 4.154 2 1 -8.97839747874565 975127 CN(CC(=O)NC1CC1)S(=O)(=O)C2=CC=C(C=C2)F 1 0.702 2 3 0 -11.6922017617578 975124 CC1=CC2=C(N1C)C=CC(=C2)OCC3=CC=CC=C3 1 4.042 1 1 0.641762742664645 975121 CC1=C(N(C(=N1)C2=C(C=CC(=C2)Br)OC)O)C(=O)C 1 0.562 2 3 0 -0.286165362263632 975120 C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)O 1 1.445 1 3 0 -11.4278597246359 975110 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NCC3=CC=CC=C3F 1 2.503 5 1 -11.486015839992 975107 COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)N)OC 1 2.626 4 3 0 -1.5233066845348 975091 CC1=C(C(=CC=C1)N(CC2=CC=CC=C2C)C(=O)C)C 1 4.198 1 1 -3.73702428019125 975084 CC(=O)NC1=C(C=CC(=C1)Br)O 1 1.456 1 2 0 0.531765194760569 975079 CC1=CC(=C(C=C1)NC(=O)CCN2C=NC3=CC=CC=C3C2=O)C 1 2.813 3 2 -10.0060056647577 975074 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3 1 2.569 3 2 -1.76278181067973 975065 CC(C)(C)C1=CC=C(C=C1)OC(=O)N2CCCCC2 1 4.117 1 2 -0.995610654779506 975057 CCN1CCN(CC1)C(=O)CC2=COC3=C2C4=CC=CC=C4C=C3 1 2.796 2 2 -5.06489433884214 975054 CCOC(=O)CSC1=C(C=C(C(=N1)C)C(=O)C)C(=O)N 1 0.84 2 4 0 -15.733459235338 975014 CC1=CC(=NN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C 1 1.934 3 3 0 -20.0648672253431 975008 C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC3=NC=CS3)[N+](=O)[O-] 1 2.711 3 4 0 -2.41575123128058 975007 C1=CC=C(C=C1)C2=CC3=C(S2)N=CN(C3=O)CC#N 1 2.283 3 1 -5.04789836719846 974996 CC(C)(C)C1=CC=C(C=C1)OC(=O)N(C)C2=CC=CC=C2 1 4.776 1 2 -1.19202180136205 974989 C1CCCC(CC1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 3.697 4 3 0 -10.0732196840857 974986 CC1=C(C(=CC=C1)N(CC2=CC=C(C=C2)Br)C(=O)C)C 1 4.46 1 1 -2.052530193501 974983 CC(C)CC1=NC(=NN1)SCC(=O)NCC2=CC=CC=C2 1 2.931 4 1 -12.2245865660488 974980 C1=CC=C(C(=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)Cl 1 2.728 5 1 -5.91032829697108 974979 CC1=CC(=NN1C2=NC3=CC=CC=C3NC2=O)C 1 1.629 4 1 0 -10.3103011700527 974977 CCN(CC)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)C 1 2.464 4 2 -23.5043754776809 974969 CC1=CC=C(C=C1)C(=O)NC2=CC3=CC=CC=C3N=C2 1 3.287 2 1 -1.0093075932114 974968 CC1=CC=C(C=C1)SCC(=O)NC2CC2 1 2.407 1 1 -8.37649574970499 974955 CC1=CC=C(C=C1)C2=NN(C(=N2)N)C(=O)CC3=CC=CC=C3 1 3.18 4 1 1.30671869682766 974950 CC(=C)CN(CC1=CC=CC=C1)C(=S)NC2=CC=CC=C2 1 5.694 2 0 -11.1978885228513 974949 CCC1=NC(=NN1)SCC(=O)NC2=CC=CC=C2Cl 1 2.881 4 1 -9.08649003534347 974947 CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=O)N3CCCCC3 1 3.3 3 1 -1.93528868298449 974946 CC(C)(C)C1=CSC(=N1)NC(=O)CN2C=NC3=CC=CC=C3C2=O 1 2.418 4 2 -10.5538604384559 974936 C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)NN2C=NN=C2 1 2.061 4 2 -6.96388641498439 974932 CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)F 1 2.594 1 3 -6.17259133396523 974928 C1=CC(=C(C=C1Br)C(=O)N2C=NN=C2N)Cl 1 2.056 4 1 -0.618421800026091 974927 COC1=CC=C(C=C1)OCCC(=O)NC2CCCCC2 1 2.963 1 3 -9.48803032684155 974926 COC(=O)C1=CC(=CC=C1)COC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.154 0 6 -10.9657095415604 974925 CC1=CC=CC(=C1)C2=NN=C(O2)C3=CC=C(C=C3)N 1 2.793 3 1 9.37538570080246 974924 CCNC(=O)C1=C(C=CC(=C1)Br)Cl 1 2.799 1 1 -5.12682009221559 974923 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.182 3 6 0 -8.56856269584761 974922 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCOC2=CC=C(C=C2)OC 1 2.886 1 5 -10.523059957694 974878 CCC(=O)NC1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C 1 1.501 5 1 0 -8.41656884692491 974879 CC1=CSC(=N1)N2CCC3=CC=CC=C32 1 2.303 2 0 -4.02242187738233 974881 CC1=CC(=NO1)NC(=O)CCOC2=CC=C(C=C2)OC 1 1.82 2 4 0 -15.3552111924387 974883 CC(=O)NC1=CC(=CC=C1)OCC2=C(C=CC=C2Cl)F 1 3.387 1 2 -6.04428858286309 974918 CC1=C(C=CC=C1NC(=O)CSCC2=CC=CC=C2)C(=O)O 1 3.131 1 3 -12.1342567576977 974915 COC1=CC=C(C=C1)OCCC(=O)NC2=NCCS2 1 2.169 2 3 -13.1215048219154 974914 COC1=CC=C(C=C1)OCCC(=O)NC2=CC=CC=C2 1 2.681 1 3 -6.32835013614528 974903 CC1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C(C)(C)C 1 4.979 3 1 -13.9463537787016 974898 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NC(=NO3)C4=CC=CC=N4 1 1.876 4 3 0 -0.903746760404422 974897 CC(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl 1 1.761 1 4 0 -12.3968826307957 974895 CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C)O 1 1.22 2 4 0 -9.76964662152479 974891 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)C2=CC=CC=C2 1 4.396 1 2 -8.14266078054738 974887 C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NCC2=CC=NC=C2 1 1.2 3 4 0 -10.9284032710227 974864 C1=CC=C(C=C1)CSCC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 1.841 2 3 0 -14.3535027662797 974861 COC1=CC=C(C=C1)OCCC(=O)N2CCCCC2 1 2.228 1 3 -8.76732154332092 974857 CCNC(=O)C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N(C)C 1 1.832 2 3 0 -9.5828463164213 974849 C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC2=CC=NC=C2 1 1.193 3 4 0 -6.87736608367641 974848 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)N3C=NN=C3N 1 9.6e-002 5 3 0 -6.60975134673866 974845 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NCC3=CC=C(C=C3)F 1 2.28 2 3 -13.8487630987721 974841 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NC(=NO3)C4=CN=CC=C4 1 1.448 4 3 0 -1.68149256198014 974840 CC1=CC(=C(C=C1)O)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O 1 4.007 1 4 -1.73046336377167 974838 COC1=CC=C(C=C1)OCCC(=O)NCC2=CC=CC=C2 1 2.688 1 3 -12.1690872188017 974836 C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NN2C=NN=C2 1 -3.8e-002 5 4 0 -8.23531785438566 974834 CN1C(=NN=C1SC)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl 1 4.89 3 0 2.89346921027653 974833 CC(=O)CC1=NSC(=N1)NC(=O)C2=CSC3=C2CCCC3 1 2.396 3 2 -7.78161082309286 974828 CCNC(=S)NC1=C(C(=CC=C1)F)C 1 3.552 2 0 -6.13013695158114 974823 CC(C)N(CC1=NC2=CC=CC=C2N1)C(C)C 1 3.065 3 0 0.142918938227152 974819 CCOC(=O)NC1=NN=C(S1)CC2=CC(=C(C=C2)Cl)Cl 1 3.705 3 2 -9.49499491278219 974815 C1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N 1 2.773 5 1 -14.7703788211287 974814 CC1(CC2=C(CO1)SC(=C2C(=O)OC)N)C 1 1.264 1 3 0 -12.2568500635482 974803 C1CCC(C1)(CNC(=O)C2=CC=C(C=C2)N)C3=CC=CC=C3 1 3.33 2 1 -14.970090030445 974802 CC1=CC(=NO1)NC(=O)C2(CCOCC2)C3=CC=C(C=C3)OC 1 1.878 2 4 0 -17.953370762984 974786 CCNC(=S)NCC1=CC(=C(C=C1)OC)OC 1 2.557 2 2 -12.064970569979 974775 CN1CCC(CC1)N(C)C(=O)NC2CCCCC2 1 1.544 3 1 0 -2.03491750189167 974773 C1=CC2=C(C(=C1)Cl)C(=C(C=C2)C(=O)O)O 1 2.79 0 3 3.83312575107161 974772 CCOC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OCC)N 1 2.519 2 2 2.29476288754897 974765 CN1C(=NC(=N1)[N+](=O)[O-])OC2=CC3=CC=CC=C3C=C2 1 3.221 4 3 0 2.14414430762922 974764 CSC1=NC2=CC=CC=C2N1CC3=CC(=CC=C3)F 1 4.423 2 0 -1.17354177935405 974763 COC1=C(C=C(C=C1)CN2C3=CC=CC=C3N=C2SC)[N+](=O)[O-] 1 4.096 3 3 -6.4614196711712 974762 CN(C)C1=NC(=NC(=N1)N)CSC2=NN=NN2C3=CC=C(C=C3)F 1 1.43 9 0 0 -15.2310189124867 974757 COC1=C(C=CC(=C1)C=O)OC2=NN=NN2C3=CC=C(C=C3)C(=O)N 1 1.563 5 4 0 -16.2896630972807 974756 CC1=NN(C=C1)C(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=O 1 2.905 2 3 -5.48935298231813 974754 CC1=NN(C=C1)C(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O 1 2.224 2 4 -9.12611709902798 974727 C=CCC(CC=C)(C1=CC=CC=C1)C(=O)O 1 3.417 0 2 -6.22071903489263 974726 CCOC1=CC=C(C=C1)C2=CN=C(N=C2N)SCC(=O)N 1 1.611 4 2 0 -5.52683881414086 974724 COC1=C(C=C(C=C1)CC2=NNC(=S)N2CC3=CC=CC=C3)Cl 1 4.368 3 1 -5.99625688239468 974720 CC1=CC(=O)N(C(=N1)SCC(=O)N)CC=C 1 0.644 3 2 0 -19.0569514397434 974719 CN(CC1=NC(=NO1)C2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3 1 0.963 4 3 0 -4.01892367864728 974717 COC1=C(C=C(C=C1)NC(=O)CCCN2C(=O)CCC2=O)Cl 1 1.267 2 4 0 -14.5350441629793 974715 CC1=C(C=CC=C1Cl)NC(=O)CCCN2C(=O)CCC2=O 1 1.769 2 3 0 -12.4442902904294 974714 CC1=CC=C(C=C1)SCC2=NC(=NO2)C3=CC=CC=N3 1 3.302 3 1 3.53539303187304 974713 CC1=CC=C(C=C1)SCC2=NC(=NO2)C3=CN=CC=C3 1 2.874 3 1 2.6866284598097 974710 CC1=CC=C(C=C1)SCC2=NC(=NO2)C3=CC=C(C=C3)OC 1 4.008 2 2 5.47355960044671 974709 CC1=CC=C(C=C1)SCC2=NC(=NO2)C3=CC=CC=C3 1 4.024 2 1 5.41200939327565 974707 CC1=CC=C(C=C1)SCC(=O)NC2=C(C=C(C(=C2)C)Cl)OC 1 4.628 1 2 -7.61427567615471 974706 CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=CC=CC=N3 1 3.141 3 1 -2.89107409270138 974700 CC1=CC=C(C=C1)SCC(=O)NNC(=O)CC2=CC=C(C=C2)OC 1 2.769 2 3 -6.4818488074606 974699 CC1=CC=C(C=C1)SCC(=O)NNC(=O)C2CCCCC2 1 3.213 2 2 -6.29411321184556 974694 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC3 1 2.401 2 3 -9.64461329168255 974692 CCC(=O)NC1=CC=CC=C1C(=O)NC2CCCCC2 1 2.683 2 2 -11.6257045960918 974688 CC(C)(C)C1=NN(C(=C1)N)C2=CC=C(C=C2)C(=O)O 1 2.893 3 2 -1.81254852570299 974687 CC1=NN2C(=CC(=NC2=C1)C(C)(C)C)N 1 2.007 4 0 -4.82832202382026 974686 COC1=CC=C(C=C1)C2=NC3=NC(=NN3C(=C2)C(F)(F)F)N 1 3.316 5 1 -1.92904312933702 974685 C1=CC(=CC=C1C2=NC3=NC(=NN3C(=C2)C(F)(F)F)N)Cl 1 3.997 5 0 0.305921770393941 974684 CC1=NC2=NC(=NN2C(=C1)C3=CC=C(C=C3)Cl)N 1 2.909 5 0 3.5925203758078 974683 CC1=NC2=NC(=NN2C(=C1)C3=CC=C(C=C3)OC)N 1 2.228 5 1 1.35755547607684 974675 C1=CC(=CC(=C1)OCC2=NN=C(S2)N)C(F)(F)F 1 2.26 3 1 2.8184684062447 974671 COC1=C(C=CC(=C1)CC=C)OCCN2C=CC=C2C=O 1 3.804 1 3 -8.6949157787541 974669 C1=CN(C(=C1)C=O)CC2=C(C=C(C=C2)Cl)Cl 1 4.092 1 1 1.17020224036775 974668 CC1=CC(=C(C=C1)OC)N2C(=CC(=C2C)C=O)C 1 3.226 1 2 -2.39701856131229 974665 CC1=CC(=C(N1C2=C(C=CC(=C2)OC)OC)C)C=O 1 2.723 1 3 -2.98762226735378 974664 CC1=CC(=C(N1C2=CC(=C(C=C2OC)OC)Cl)C)C=O 1 3.388 1 3 -4.63208493129401 974663 CCOC1=CC=CC=C1N2C(=CC(=C2C)C=O)C 1 3.089 1 2 -4.24927680267641 974634 CCNC1=NC(=NC(=N1)N2CCCCC2)NC(C)(C)C 1 1.92 6 0 0 -7.01570403020755 974632 CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N3CCCC3)N4CCCC4 1 2.914 6 0 2.79552123991436 974631 C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCC4 1 2.427 6 0 0.358480296679285 974630 CC(C)(C)NC1=NC(=NC(=N1)N2CCCC2)N3CCCC3 1 1.782 6 0 0 -4.65107479655163 974625 CC1=C(C(=NN1)C)SCC(=O)NC2=CC=C(C=C2)OC 1 1.863 3 2 0 -5.90410753193434 974624 CC1=C(C(=NN1)C)SCC(=O)NC2=CC=C(C=C2)F 1 2.085 3 1 -4.77926429732495 974605 C1=CC=C(C=C1)NN2C(=O)C3=CC=CC4=C3C(=CC(=C4[N+](=O)[O-])O)C2=O 1 3.022 3 5 0 2.02498934100215 974602 CCC1=CC(=C(C=C1)CC)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)O)O 1 3.59 1 5 -0.659042472381407 974593 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2CC=C 1 4.579 2 0 0.746320061745621 974575 COC(=O)C1=CC=C(C=C1)C(=S)N2CCOCC2 1 2.21 1 3 -8.28638608145105 974574 CC1=C(C(=CC=C1)C)OCC(=O)N2CCC3=CC=CC=C3C2 1 3.709 1 2 -11.7576453482772 974570 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC(=C(C=C2)F)Cl 1 3.657 1 3 -0.248689143633517 974562 C1CCN(C1)C(=S)C2=CC=CC=C2OCC3=CC(=CC=C3)F 1 4.901 1 1 -1.6015760021073 974559 CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 3.208 1 4 -11.1670216491162 974558 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC(=CC=C2)SC 1 3.329 1 3 -4.46721858490945e-002 974557 CC1=C(C(=CC=C1)C)OCC(=O)NC2CC2 1 2.335 1 2 -9.93565680929785 974544 COC(=O)C1=CC=C(C=C1)C(=S)N2CCCCC2 1 3.44 1 2 -6.71808963167546 974543 CCOC1=C(C=C(C=C1)Br)C(=S)N2CCCC2 1 4.209 1 1 -3.43645961580941 974540 C1CCN(C1)C(=S)C2=CC3=C(C=C2)OCO3 1 2.896 1 2 -5.84551231689638 974502 COC1=CC=CC(=C1)NC(=O)COC2=CC=CC=C2C(=O)N 1 1.435 2 4 0 -7.27597947619924 974498 CNC(=O)C1=CC2=C(C(=CC=C2)OC)OC1=O 1 1.051 1 4 0 -12.143367871986 974497 C1CCN(C1)C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O 1 2.483 1 3 -10.3545119821404 974496 CC1=CSC(=N1)NC(=O)CSC2=NN=C(S2)C 1 1.022 4 1 0 -18.0312250582614 974491 CCN1C2=CC=CC=C2N=C1COC3=CC=CC=C3C(=O)N 1 2.662 3 2 -3.45005250862852 974490 CN1C2=CC=CC=C2N=C1COC3=CC=C(C=C3)C(=O)O 1 2.941 2 3 0.637436789868414 974485 CCN1C2=CC=CC=C2N=C1COC3=CC=CC(=C3)C 1 4.146 2 1 1.89432841483793 974484 CC1=CC=CC=C1NCC2=NC3=CC=CC=C3N2C 1 3.623 3 0 1.400014150539 974483 CN1C2=CC=CC=C2N=C1COC3=CC=C(C=C3)F 1 3.517 2 1 4.63331783659373 974482 CC1=CC(=NN1CCOC2=CC=C(C=C2)Br)C 1 3.288 2 1 -5.00768924290524 974476 C1CC(C1)C(=O)NC(=S)NC2=CC=CC=C2Br 1 4.064 2 1 -5.1157430936766 974475 C1CC(C1)C(=O)NC(=S)N2CCC3=CC=CC=C32 1 3.744 2 1 -9.74666256361298 974474 CC1=C(C=C(C=C1)NC(=S)NC(=O)C2CCC2)C 1 4.288 2 1 -4.88785671487919 974461 C1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC=CC=N2 1 1.38 2 3 0 -9.1276268018192 974456 C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NC=C(C=C3)Cl 1 2.489 6 1 0 -18.9907919852311 974455 CC1=CC(=NO1)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl 1 2.878 3 3 -13.6952429534961 974453 C1=CC=NC(=C1)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 1.086 5 2 0 -13.0148883247015 974450 CC1=NN=C(S1)SCC(=O)NC2=NC=C(C=C2)Cl 1 1.795 4 1 0 -14.9346304662728 974449 CC1=CC(=NO1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 2.022 4 3 0 -28.1304561306157 974448 C1=CC=C(C(=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=N3)Cl 1 2.901 4 2 -11.3650807649525 974447 CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)O 1 0.651 1 4 0 -13.029502009656 974445 C1=CC(=CC(=C1)C(F)(F)F)CN2N=C(N=N2)C3=CC=C(C=C3)C(=O)O 1 3.66 4 2 2.13847291200278 974444 C1CCC(C1)NC(=O)CN2N=C(N=N2)C3=CC(=CC=C3)C(F)(F)F 1 2.909 5 1 -5.39082204308186e-002 974438 CN1C(=NNC1=S)CN2N=C(N=N2)C3=CC=CC=C3 1 1.628 7 0 0 -2.99376015669725 974414 CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NN4C=CC=NC4=N3 1 2.385 7 1 0 -10.3758712218114 974413 CC1=CC=C(C=C1)NC(=O)C2=NN3C(=CC(=NC3=C2)C)C 1 2.367 4 1 -13.2709998530458 974405 CC(C)NC(=S)NC(=O)C1=C(C=C(C=C1)Cl)Cl 1 3.966 2 1 -8.12169836113442 974402 CC(C)NC(=S)NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 4.156 2 1 -9.39223615467028 974401 CN(C1=CC=CC=C1)C(=O)NC2CCCCC2 1 3.01 2 1 -4.44924450309824 974394 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 1.084 3 4 0 -16.9045697547488 974393 COC1=CC=C(C=C1)OCC(=O)NNC(=O)NC2=CC(=CC=C2)Cl 1 2.263 3 4 0 -5.16299434511687 974392 CCOC(=O)N1CCN(CC1)C(=O)NC2=CC(=CC=C2)Cl 1 2.025 3 3 -2.93464413855567 974385 CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 0.906 3 4 0 -23.3186384266494 974383 CC(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])OC 1 1.979 3 4 0 -10.5431343447064 974381 CC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2 1 2.886 3 2 -11.4063154904158 974370 CN1CCN(CC1)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.299 4 3 0 -12.6721822059971 974369 CN1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.923 3 1 -6.07902062756481 974366 COC1=CC=CC=C1C(=O)NNC(=O)C2=CC=C(O2)Br 1 1.818 2 4 0 -9.22438608175585 974365 C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=CC=CC=C3Cl 1 1.568 5 1 0 -1.52669937827496 974364 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=C(C=C3)F)F 1 1.406 4 1 0 1.45675086759838 974362 C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=CC=C(C=C3)F 1 1.109 5 1 0 -0.94373790029256 974361 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=CC4=NSN=C43 1 3.289 4 2 -8.87343132039253 974309 CN1C2=C(C=C(C=C2)/C=C(/C#N)\C3=CC=CC=C3F)N(C1=O)C 1 3.135 3 1 -13.6387482777738 974279 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)O 1 2.269 1 5 -7.33487399557011 974271 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2)Cl 1 1.822 2 3 0 -4.33191442657781 974269 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2)Cl 1 2.037 2 3 -6.73211698312095 974264 COC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)Cl 1 1.878 1 3 0 -9.25633596058912 974247 CCOC1=C(C(=CC(=C1)C(=O)N)Cl)OCC 1 2.161 1 3 -8.06395145531169 974241 CC1=CSC(=N1)NC(=O)CSC2=NC3=CC=CC=C3S2 1 2.913 3 1 -10.0612071249813 974239 CC1=C(C(=C(O1)CC(C)C)CNC(=O)C2=CC=C(C=C2)OC)C(=O)O 1 3.004 1 5 -7.99666397445821 974237 CC1=CC(=C(C=C1C2=CC(=C(O2)C)C(=O)O)C(C)C)OC 1 4.182 0 4 5.98509389222366 974233 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=CC4=C3C=CC=N4 1 4.33 2 1 -11.3716499521564 974232 COC1=C(C=C(C=C1)Cl)C(=O)NC2=CC=CC3=C2C=CC=N3 1 3.449 2 2 -4.49667737460768 974228 CC1=NC2=CC=CC=C2N1CC(=O)OC 1 1.519 2 2 0 -4.68421720036608 974227 CCOC(=O)C1=CC=C(C=C1)NC2=NN=C3N2C(=CC(=N3)C)C 1 2.444 5 2 0 -11.3125006515258 974222 CC1=C(C=C(C=C1)C(=O)N2C(=CC(=N2)C)C)S(=O)(=O)N3CCCC3 1 2.42 3 3 -19.1736439176127 974221 CC1=C(C=C(C=C1)C(=O)NC2=NOC=C2)S(=O)(=O)N3CCCC3 1 1.672 3 4 0 -18.4251876696183 974211 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CC3=CC=CS3 1 3.313 4 1 -13.9914408577531 974207 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=NC=CN=C3 1 0.966 6 1 0 -12.1215391794408 974204 CN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=NC=CN=C4 1 1.828 7 0 0 -8.40307312323018 974199 CN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=CC=N4 1 2.978 6 0 -6.30574679444518 974197 CCNC1=C(N=C(O1)C2=CC=CC3=CC=CC=C32)C#N 1 3.15 3 1 1.17692125966468 974193 CCOC(=O)C1=C(N=C2C3=CC=CC=C3C(=O)C2=C1C4=CC=CC=C4)C 1 4.205 1 3 -0.7383411612474 974192 CCOC(=O)C1=C(N=C2N1C=CC=N2)C 1 1.1 3 2 0 -6.73524945987213 974191 CC1(CC(=O)C2=C(C=C(C=C2O1)OCC3=CC=C(C=C3)[N+](=O)[O-])O)C 1 3.289 1 6 0 -6.26831653494873 974184 CCC1=CC(=O)OC2=CC(=CC(=C12)OC(=O)C)OC(=O)C 1 2.337 0 6 -7.35478761522832 974180 CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CC3=CC=CC=C3 1 4.248 0 4 -5.8282241002012 974178 CC1=C(C(=O)OC2=C1C=CC(=C2OCC(=C)C)OCC(=C)C)C 1 4.886 0 4 -9.07837924114162 974177 CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)C 1 2.759 0 4 -3.39515472165264 974167 CCOC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OC 1 3.649 0 4 -8.48208731927315 974163 CC1=CC2=C(C(=C(C(=O)O2)CC(=O)OC)C)C(=C1)OCC(=O)OC 1 2.373 0 7 0 -13.6782594904506 974155 COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 1.683 2 6 0 -10.2775158642683 974154 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 2.8 2 4 -7.77076232583923 974153 CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)N(C1=O)C 1 1.92 3 3 0 -12.0127782059532 974152 COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N 1 -0.129 2 4 0 -16.3444371321886 974147 COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)OC 1 3.203 2 3 -15.8735766926649 974145 COC1=CC=CC(=C1)C2=NC(=S)C3=C(O2)CCCC3 1 4.015 1 2 -5.76215905668547 974132 C1CN(CCN1C(=O)CC2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3 1 2.219 2 3 -6.60878294825514 974129 CC(C)(C)CC(C)(C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC 1 3.157 2 5 0 -16.1305413891575 974127 CC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.64 3 4 0 -8.52570186076331 974125 CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-] 1 1.901 3 5 0 -8.4931957263114 974122 CC1=NC(=NC=C1)NC(=O)C2=CC=CO2 1 1.034 3 2 0 -7.96291888904278 974114 CC1=C2C(=CC=C1)SC(=N2)NS(=O)(=O)C 1 1.852 2 2 0 -0.811270690230433 974108 CC(C)(C)CC(C)(C)NC(=O)C1=CC=CC=C1 1 3.407 1 1 -11.4323918662547 974105 CC1=CC(=NO1)NC(=O)CC2=C(C=CC=C2Cl)F 1 2.658 2 2 -16.0471192882108 974103 C1=CC(=C(C(=C1)Cl)CC(=O)NC2=CN=CC=C2)F 1 2.368 2 1 -7.55774246121456 974102 C1COCCN1C(=O)CC2=C(C=CC=C2Cl)F 1 1.836 1 2 0 -11.636395798044 974101 C1=CC(=C(C(=C1)Cl)CC(=O)NC2=CC=NC=C2)F 1 2.368 2 1 -7.28089443988424 974099 C1CCN(C1)C(=O)CC2=C(C=CC=C2Cl)F 1 2.609 1 1 -9.71363083410031 974097 COC1=CC=C(C=C1)NC(=O)CC2=C(C=CC=C2Cl)F 1 3.503 1 2 -7.27657030268813 974090 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NCCC2=CC=CC=C2 1 4.104 2 2 -13.5925742786485 974089 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)N2CCCCCC2 1 3.779 2 2 -11.3252722576524 974088 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)N2CCOCC2 1 2.093 2 3 -12.893568707428 974087 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC=CO2 1 2.965 2 3 -15.656163608616 974086 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)N2CCCC2 1 2.867 2 2 -10.9708037434843 974075 CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC(C)(C)C 1 3.131 2 2 -16.5810837543692 974074 CCN1C(=NN=C1SCC(=O)N)CC2=C(NC3=CC=CC=C32)C 1 2.084 5 1 -11.9123027501115 974073 CCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3 1 3.19 4 0 -7.05979337679538 974070 CNC1=NC(=NC=C1F)N2CCC3=CC=CC=C32 1 1.846 4 0 0 -2.64560218658576 974066 C1CCN(CC1)C(=O)NC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 3.105 2 3 -4.56487070850167 974065 C1CCN(CC1)C(=O)NC(=O)C2=CC=CC=C2 1 1.941 2 2 0 -6.76700968086878 974048 C1CCC(CC1)C2=NC(=NN2)NC(=O)C3CCCCC3 1 3.745 4 1 -7.50817351535536e-002 974047 CCOC(=O)C1=C(N2C(=NC=N2)N=C1)N 1 0.237 5 2 0 -12.0582940050143 974031 CC1=CC=C(C=C1)C2=C(N3C=CC4=CC=CC=C4C3=N2)C(=O)C 1 4.08 2 1 0.194446214110605 974029 C1CCN(CC1)CC2=C(N=C3N2C=CC4=CC=CC=C43)C5=CC=CC=C5 1 4.631 3 0 1.21200829034225 974023 CC1=NN2C3=CC=CC=C3N=C2N(C1=O)CC4=CC=CC=C4 1 2.935 4 1 -1.22836527396715 974022 C1=CC=C(C=C1)N2C(=O)C(=NN3C2=NC4=CC=CC=C43)CCC(=O)O 1 2.773 4 3 0 -9.69078832013101 974021 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC3=CC=C(C=C3)F 1 3.191 2 3 -4.52933347649777 974019 C1=COC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)F)C#N 1 3.226 3 2 -7.59203906522862 974018 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)NC2CCCC2 1 2.08 2 3 -12.2355521870178 974017 CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)N 1 0.472 2 3 0 -3.88716974558636 974010 CCN(CC(=O)NC1CCCC1)S(=O)(=O)C2=CC=C(C=C2)C 1 2.243 2 3 -17.5820493438393 974006 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)N2CCCCC2 1 1.599 2 4 0 -10.5579337950625 974005 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)N2CCCC2 1 1.143 2 4 0 -10.2034652808945 974003 C1CC2=CC=CC=C2N(C1)C(=O)CN3C=CC4=C3C=C(C=C4)C#N 1 3.581 3 1 -13.8418984733664 974002 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4F 1 5.522 1 1 -5.55389829080966 974001 CCOC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3F 1 3.994 1 3 -8.5499636440265 974000 CC(C)NC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3F 1 3.725 2 2 -17.2052076364307 973998 CCOC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C(C)(C)C 1 3.671 1 3 -11.5996142973043 973997 CC(C)(C)C(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CC=CO3 1 3.44 2 3 -20.5818364268805 973989 CC(=O)C1=CN(C2=CC=CC=C21)CCOC3=CC=CC(=C3)OC 1 3.685 1 3 -8.42115437842813 973984 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SC 1 3.36 1 3 -16.1265729327648 973981 CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 2.468 2 3 -9.98110267646219 973966 CCN1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.161 2 2 -12.0314588326037 973964 COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2SC 1 3.14 1 2 -9.40161050392318 973962 CN(C)C(=O)CN(C1=CC(=C(C=C1)F)Cl)S(=O)(=O)C 1 1.082 2 3 0 -9.32052353043764 973961 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 1.509 2 4 0 -11.3925157504936 973958 CS(=O)(=O)N(CC(=O)N1CCCCC1)C2=CC3=C(C=C2)OCO3 1 0.897 2 5 0 -14.3907008884381 973956 CS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)Cl 1 2.19 2 3 -7.09993809121515 973953 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)SC 1 2.843 1 3 0.728473941718788 973927 C1=CC=C2C(=C1)C=CC=C2CON3C4=CC=CC=C4N=N3 1 1.749 3 1 0 2.78381013255782 973925 CN1C2=C(N=C1NCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C 1 1.129 5 4 0 -13.1852153168385 973916 CSC1=NC(=O)N(C=C1)CC2=CC=C(C=C2)Cl 1 2.908 2 1 3.77901836019382 973910 C1=CC=C2C(=C1)N=NN2OCC3=C(C=CC=C3Cl)Cl 1 2.169 3 1 -0.615433453765178 973904 CC1=C(C=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C 1 2.974 4 3 0 -7.48291119619343 973903 C1=CC=C(C(=C1)C(=O)NNC2=NC(=O)C3=C(S2)N=CC=C3)O 1 2.01 4 3 0 -3.27144708362135 973898 COC1=CC(=C(C=C1)OC)NC2=NC(=O)C3=C(S2)N=CC=C3 1 2.962 3 3 -4.08245610117329 973895 CCC1=NC(=NN1)SCC(=O)NC2=CC=NC3=CC=CC=C32 1 2.403 5 1 -11.9981477574854 973894 COC1=CC=CC=C1N2C(=NNC2=S)C3=CC=CO3 1 3.057 3 2 -4.24967263905448 973892 C1CSC(=N1)SCC(=O)NC2=CC=NC3=CC=CC=C32 1 2.682 3 1 -16.337012124765 973891 CC1=CC=C(C=C1)NC2=NC(=O)C3=C(S2)N=CC=C3 1 3.482 3 1 -4.07500544171107 973882 CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=CC(=C3)C(=O)C 1 3.533 2 3 -4.80501668713541 973878 C1CN(CCC12OCCO2)C(=O)C3=NOC(=C3)C4=CC=CC=C4 1 2.001 2 4 -5.27251007624219 973877 C1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC3=CC=CC=N3 1 2.378 3 2 -8.21330664152748 973876 C1CN(CC2=CC=CC=C21)C(=O)C3=NOC(=C3)C4=CC=CC=C4 1 3.594 2 2 -6.59277018674401 973875 C1COCCN1CCNC(=O)C2=NOC(=C2)C3=CC=CC=C3 1 1.556 3 3 0 -8.10726830591497 973874 C1CCN(C1)C(=O)C2=NOC(=C2)C3=CC=CC=C3 1 2.397 2 2 -2.63902124828885 973873 C1CC2=CC=CC=C2N(C1)C(=O)C3=NOC(=C3)C4=CC=CC=C4 1 4.043 2 2 -5.23015068957731 973872 C1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC3=CC=CS3 1 3.053 2 2 -8.78578611976923 973870 C1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC3=CC=CO3 1 2.495 2 3 -8.09102095213464 973869 CN1CCN(CC1)C(=O)C2=NOC(=C2)C3=CC=CC=C3 1 1.893 3 2 0 -0.236453387588177 973868 C1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC3=CN=CC=C3 1 2.163 3 2 -8.4604236780014 973867 CC1=NN(C(=C1)NC(=O)C2=NOC(=C2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.94 4 2 -6.10293853208518 973866 CC1=CC(=NO1)NC(=O)C2=NOC(=C2)C3=CC=CC=C3 1 2.445 3 3 -10.9956843565739 973865 C1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CN=CC=C3 1 2.156 3 2 -3.26286964377843 973858 CC1=CC(=C(C=C1)O)NC(=O)C2=NOC(=C2)C3=CC=CC=C3 1 3.551 2 3 0.528437704555628 973821 CC1=C(C(N=C(N1)C)(C(F)(F)F)C(F)(F)F)C#N 1 1.64 3 0 0 -5.16391402282584 973820 CC(=O)NC(C1C(=O)CC(CC1=O)(C)C)(C(F)(F)F)C(F)(F)F 1 1.774 1 3 0 -8.91130898827446 973819 C1CCC(CC1)NC(=O)NNC(=O)NC2CCCCC2 1 2.251 4 2 -7.24621489165367 973818 CC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)CCC2=CC=CC=C2 1 5.209 2 2 -4.93434470785543 973815 CC1=CC=CC=C1NC(=S)NC(=O)CCC2=CC=CC=C2 1 4.743 2 1 -11.7754397383148 973814 CC1=C(C(=NN1C(=O)C2=CC=CO2)C)CN3C(=O)C4=CC=CC=C4C3=O 1 2.367 3 4 0 -3.71028332000224 973813 C1CN(CCN1C(=O)C2=CC=CC=C2)S(=O)(=O)N3CCOCC3 1 -0.47 3 4 0 -16.8392152783683 973793 CCN(CC)C(=O)OC1=C(C(=CC(=C1)OC)OC)C=O 1 2.223 1 5 -6.739466340966 973792 COC1=CC(=C(C(=C1)OC)C=O)OC(=O)N2CCOCC2 1 1.213 1 6 0 -7.52407922562329 973791 CN(C)C(=O)OC1=C(C(=CC(=C1)OC)OC)C=O 1 1.526 1 5 0 -4.87045169724694 973790 C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)N3CCOCC3 1 0.484 3 3 0 -8.59366061647151 973789 CC1=CC2=C(C=C1C)N(C=N2)S(=O)(=O)N3CCCCC3 1 2.606 3 2 -5.6346821644301 973788 CC1=CC2=C(C=C1C)N(C=N2)S(=O)(=O)N3CCOCC3 1 1.377 3 3 0 -7.59286488587983 973787 C1COCCN1S(=O)(=O)N2C3=CC=CC=C3N=N2 1 0.494 4 3 0 -10.0313581739107 973785 CC1=C(C(=NN1S(=O)(=O)N2CCCCC2)C)Br 1 1.739 3 2 0 -5.86572646518027 973784 CC1=C(C(=NN1S(=O)(=O)N2CCOCC2)C)Br 1 0.509 3 3 0 -7.82390918663 973783 C1CCN(C1)C(=O)OC2=NSN=C2N3CCOCC3 1 0.931 4 3 0 -5.55655854766898 973782 C1CCN(CC1)C(=O)OC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3 1 4.148 1 4 -8.45528076048825 973781 CN(C)C(=O)OC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2 1 3.231 1 4 -8.85437323877318 973780 C1COCCN1C(=O)OC2=CC=CC(=C2)OC3=CC=CC=C3 1 3.047 1 4 -3.79402567945566 973778 C1CCN(CC1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 1.713 3 2 0 -6.4968122160706 973775 CC1=C(N(N=C1C)C(=O)N2CCOCC2)C 1 1.067 3 2 0 -5.17540812178218 973774 CN(C)S(=O)(=O)N1CCN(CC1)C(=O)N2CCCCC2 1 -0.703 4 3 0 -20.5649553084079 973770 CN(C)S(=O)(=O)N1CCN(CC1)CC(=O)NC2=CC=C(C=C2)F 1 -0.24 4 3 0 -20.2433620291874 973764 C1CC2=C(C1)N=C(C(=C2)C#N)SCC3=CC=NC=C3 1 3.136 3 0 -12.0952294450246 973757 CC1=CC(=NC(=C1C#N)SCCN2CCCCC2)C(F)(F)F 1 4.552 3 0 -5.21501878025379 973752 CC(C)(C)C(=O)C1=C(N=C(S1)NC2=CC=CC=C2)N 1 3.11 3 1 -4.08753739418676 973740 CC1=C2C(=NN1)OC(=C(C23CCC(CC3)C4=CC=CC=C4)C#N)N 1 3.445 4 1 1.31934963514449 973728 CCN(CC)C(=O)CSC1=C(C=CC(=N1)C2=CC=CC=C2)C#N 1 3.549 3 1 -14.4350592956144 973720 COC(=O)CC1=C2C(=NN1)OC(=C(C23CCSCC3)C#N)N 1 1.172 4 3 0 -8.01192254115071 973716 COC(=O)CC(=O)CSC1=NC2=C(CCCCC2)C=C1C#N 1 3.233 2 3 -18.3048453962129 973715 COC(=O)CC(=O)CSC1=NC2=C(CCC2)C=C1C#N 1 2.321 2 3 -17.6415667611602 973710 CC(C)(C)C(=O)C1=C(N=C(S1)NC)N 1 1.533 3 1 0 -7.88912658465799 973704 CCOC(=O)CCSC1=C(C(=CC(=N1)C)C(F)(F)F)C#N 1 3.168 2 2 -12.885756569653 973693 CC1=C2C(=NN1)OC(=C(C23CCC4(CC3)OCCO4)C#N)N 1 0.652 4 3 0 -6.13177771215578 973685 CCN1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)N)Cl 1 4.478 3 0 1.74023313920177 973679 CN1C(=NN=N1)SCC(=O)NC2=CC=CC=C2C(=O)N 1 -0.138 6 2 0 -22.5707615943926 973675 COC1=C(C=C(C=C1)C=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.698 1 5 -4.64465917232001 973646 CC1=C(C(=NN1CC2=C(C=C(C=C2)F)Cl)C)[N+](=O)[O-] 1 3.255 3 2 -1.1572766407879 973641 CCN1C=C(C(=N1)C(=O)N(C)CC2=CC=CC=C2)Br 1 3.003 3 1 -6.52428476451175 973638 CCN1C=C(C(=N1)C(=O)NC2=CC(=CC=C2)SC)Br 1 3.332 3 1 -3.95910753925976 973637 CCN1C=C(C(=N1)C(=O)NC2=CC(=CC=C2)Cl)Br 1 3.454 3 1 -3.31271813178905 973635 CCN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)OC)Br 1 2.773 3 2 -6.47455359763863 973628 C1CC(=O)N(C1)CCC2CCN(CC2)C(=S)NC3=CC=C(C=C3)F 1 3.846 3 1 -20.9422261825915 973623 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)O 1 -0.676 2 6 0 -26.2643496571407 973622 CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)Cl 1 4.007 2 2 1.88634480261896 973597 COC1=C(C=C(C=C1)NC(=O)OC)OC 1 1.56 1 4 0 -8.21150955114854 973595 COC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.229 3 3 -3.08680412497655 973587 CC(=O)NC1=CC=C(C=C1)OCC(=O)C2=CC=C(C=C2)OC 1 2.173 1 4 -7.90184259978879 973585 CC1=CC(=C(C=C1)O)NC(=O)CCCC(=O)O 1 1.496 1 4 0 -9.44072501973235 973579 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC(=O)O 1 3.808 1 3 -14.0816559534128 973576 CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N)[N+](=O)[O-] 1 1.7 3 5 0 -7.53301226372709 973573 C1=CC=C2C=C(C=CC2=C1)OCC3=CSC(=N3)N 1 2.771 2 1 4.34504602186459 973571 C1=CC=C(C(=C1)CSCC2=NC(=O)NN2)Cl 1 1.938 3 1 0 -6.97199205320173 973570 C1=CC=C(C=C1)CN2C=CN=C2SCC3=NN=C(O3)C4=CC=CC=C4 1 3.665 4 1 -7.48350369113914 973568 C/C=C/C1=CC(=C(C=C1)OCCN2C(=O)C(NC2=O)(C)C)OC 1 2.411 2 4 -9.21410194276347 973563 CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)CC3=CC=CC=C3 1 2.873 2 3 -12.8657588686565 973562 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC(=O)OC)C 1 3.477 1 3 -9.60753653186284 973553 CC1(C(=O)N(C(=O)N1)CCOC2=CC=C(C=C2)[N+](=O)[O-])C 1 1.368 3 5 0 -7.08420099266435 973548 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=CC3=C2CCCC3 1 4.095 1 3 -8.70134955523071 973540 C1COCCN1CCNC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.101 3 2 -7.91870690606293 973526 CC(=O)C1=CC(=C(C=C1)OC)COC2=CC=CC3=C2N=CC=C3 1 3.306 1 3 -9.62559882462466 973524 C1=CC=C2C(=C1)C(=O)N(C=N2)CCOC3=CC=CC=C3[N+](=O)[O-] 1 2.482 3 4 0 -5.06118973159125 973520 C1=CC=C(C(=C1)CS(=O)(=O)NC2=CC=CC=N2)Cl 1 2.377 2 2 -9.39000189384487e-003 973513 CSC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)Cl 1 3.53 1 2 2.25922712128445 973507 CC(=O)C1=CC=C(C=C1)COC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.937 1 5 -10.4376222563419 973504 CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-] 1 2.884 3 4 0 -5.77698138426619 973503 C1CCN(C1)C2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3 1 3.272 2 1 -3.02656575772498 973502 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CC(=O)O 1 2.765 1 3 -7.73895710107146 973497 CC1(C(=O)N(C(=O)N1)CCSC2=CC=C(C=C2)Cl)C 1 2.696 2 2 -3.30553448488586 973483 C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NCC3=CC=C(C=C3)F 1 1.711 2 3 0 -10.6210514980348 973482 CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CC(C)C 1 3.325 2 3 -11.4567828360398 973481 C1=CC=NC(=C1)CCC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Cl 1 4.566 2 1 -4.24945897442785 973463 C1CN(C2=CC=CC=C21)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 2.027 2 3 -14.4865777017175 973443 CC(C)(C)NC(=O)CSC1=NNC(=O)N1C2=CC=CC=C2 1 2.184 4 2 -21.2344660204042 973438 C1CN(CCN1CCO)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 2.189 3 2 -7.04471601253545 973433 C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC(=NO3)C4=CC=NC=C4 1 0.878 4 3 0 2.07702085907765 973422 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=C(C=C(C=C3)F)F 1 2.157 2 3 -8.44172695904204 973411 C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)COC(=O)C3=NC=CN=C3 1 2.828 2 4 -11.6450968416304 973408 COC1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)OCC(=O)OC)OC 1 2.272 1 6 0 -12.9444260565762 973405 CC1(C(=O)N(C(=O)N1)CCOC2=CC3=C(CCC3)C=C2)C 1 2.53 2 3 -7.21553478630693 973403 CNC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2 1 1.724 2 2 0 -7.2439752309886 973400 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2CC=C 1 1.332 5 3 0 -31.5209419923573 973395 C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)O)C(=O)O2)[N+](=O)[O-] 1 2.793 2 5 0 -4.32227524707572 973393 CCOC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.748 2 5 0 -13.8962481547221 973377 CC1(C(=O)N(C(=O)N1)CCOC2=CC=CC(=C2)OC3=CC=CC=C3)C 1 3.034 2 4 -3.46588542272496 973374 COC(=O)COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2 1 2.305 1 4 -10.9928073788293 973369 CC(C)(C(=O)OC)NC(=O)C1=CC=CS1 1 1.494 1 3 0 -8.06090211987193 973362 C1=CC(=CC=C1CNC(=O)C2=CC=C(O2)Br)C(=O)O 1 2.214 1 4 -10.0255975618892 973360 CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)O)C(=O)O)C 1 2.974 1 4 -6.55302935037548 973358 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC(=NO3)C4=CC=CC=N4 1 1.555 4 3 0 -1.73696839968115 973357 CC1=CC(=C(C=C1)[N+](=O)[O-])OCCN2C(=O)C(NC2=O)(C)C 1 1.854 3 5 0 -7.69457024460643 973349 C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C3=O)N=CC=C4 1 1.491 2 4 0 -4.50151306734311e-002 973327 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NCC3=CC=C(C=C3)F 1 1.959 2 3 0 -13.2224938879847 973322 CC1=CC=C(C=C1)SCCN2C(=O)C(NC2=O)(C)C 1 2.518 2 2 -5.12753317547268 973317 CC(=O)C1=CC(=C(C=C1)OC)COC2=CC=C(C=C2)F 1 3.326 0 3 -3.78985306950983 973308 CCC(CC)C(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-] 1 5.004 2 3 -6.64544086930584 973303 CCOC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC(=C2)OC)OC 1 2.694 2 5 0 -9.20832979425745 973296 CC1(C(=O)N(C(=O)N1)CCOC2=C(C(=CC=C2)Cl)Cl)C 1 2.802 2 3 -3.25869857694418 973294 CC(C)C(=O)NC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)C(=O)C 1 3.258 1 4 -17.7534683232584 973292 CN(CC(=O)NC1=CC=NC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.097 3 3 0 -7.91100808040567 973291 CCC(=O)C1=CC=CC=C1OCCN2C(=O)C(NC2=O)(C)C 1 1.88 2 4 0 -10.9777746289767 973290 CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=NC=C3 1 1.688 3 3 0 -12.2822018244626 973289 CC(=O)C1=CC=C(C=C1)COC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.038 0 5 -11.3259977887717 973285 CC(=O)C1=CC(=CC=C1)OCCN2C(=O)C(NC2=O)(C)C 1 1.213 2 4 0 -9.32125808612378 973228 C1CCC(CC1)C(=O)NC2=CC(=CC=C2)OCC(=O)N3CCOCC3 1 2.013 2 4 -7.67178953724028 973230 CN(C)C(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)Cl 1 0.877 2 3 0 -6.37836969094907 973231 CCC1=C(C=CC(=C1)OCCN2C(=O)C(NC2=O)(C)C)Cl 1 3.08 2 3 -4.94537737274328 973251 CCOC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)F 1 3.152 1 2 -4.93907479964967 973281 C1=CC=C(C=C1)C2=NOC(=N2)CN3C(=O)C4=CC=CC=C4C3=O 1 2.029 3 3 2.0912848711924 973280 COC1=CC(=C(C=C1)NC(=O)C2=C(N=CC=C2)C(=O)O)OC 1 1.489 2 5 0 -11.6202086709804 973279 CCOC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.748 2 5 0 -12.5603807656447 973273 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 2.491 3 3 -16.5622759566659 973269 C1OC2=C(O1)C=C(C=C2)NC(=O)OCC3=CC=CC=C3 1 2.945 1 4 -4.73958627438225 973260 COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)O)C(=O)O2 1 2.882 1 4 -1.66043515839749 973223 CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CN=CC=C3 1 0.496 3 3 0 -11.110640416257 973222 CCC(C)(C)C1=CC=C(C=C1)OCCN2C(=O)C(NC2=O)(C)C 1 3.33 2 3 -5.25810876642584 973212 COC(=O)C1=CC=C(C=C1)OCCN2C=NC3=CC=CC=C3C2=O 1 2.444 2 4 -5.35167167478436 973206 CC1=C(C=CC=C1NC(=O)C2=CC=C(O2)Br)C(=O)O 1 2.693 1 4 -6.68364245022895 973199 C1CCCN(CC1)C2=NNC(=C2)C3=CC=CC=C3 1 3.538 3 0 5.459634091128 973198 C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=NN3 1 1.715 3 3 0 -10.8531309929419 973196 CN(C1=CC=C(C=C1)O)C2=NC(=CS2)C3=CC=CS3 1 3.604 2 1 5.40630899239523 973183 CC1=CC=CC=C1C2=NN(N=N2)CC(=O)NC3=CC4=C(C=C3)OCO4 1 2.395 5 3 0 -3.69302406969241 973179 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CC(C)NC(=O)CN1C=C(C2=C1C=CC(=C2)Br)C#N 1 2.742 3 1 -13.619858530111 972831 CC(C)C1=CC=C(C=C1)NC(=S)NN2CCN(CC2)C 1 3.306 4 0 -2.48809670943733 972830 CNC(=O)CN(C#N)C1=NC(=NC(=N1)N(C)C)N(C)C 1 -0.873 8 1 0 -9.35183288668117 972828 C1=CC=C2C(=C1)N=C(S2)C(=O)NCC3=CC=CO3 1 2.293 2 2 -7.34588562729365 972821 COC1=CC=C(C=C1)N2C(=C(C(=O)NC23CCCCC3)C#N)S 1 3.373 3 2 -2.53772870206988 972814 CC1=NC2=C(C=CC=C2S(=O)(=O)N3C(=CC(=N3)C)C)C=C1 1 2.528 3 2 -9.0493204560429 972808 CC1=CSC(=N1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3 1 2.351 5 1 -6.97808197642331 972807 CC(C)(C)NC(=S)NC1=CC=C(C=C1)CC(=O)OC 1 3.333 2 2 -15.8170639771452 972804 CC1=CC(=NC=C1)NC2=NC(=CS2)C3=CC=C(C=C3)O 1 3.319 3 1 11.3124316720692 972802 C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.011 2 4 -5.86610462877021 972797 C1CCCN(CC1)CC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl 1 4.323 2 1 -2.13667689617585 972796 CC1=C(N=CC=C1)NC2=NC(=CS2)C3=CC=C(C=C3)OC 1 3.545 3 1 8.19781322690966 972795 CNCC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2OC 1 1.971 2 3 0 -10.1620379780424 972788 CC(=O)OC1=CC=C(C=C1)C2=CSC(=N2)NC3=CN=CC=C3 1 2.304 3 2 4.03602666115521 972787 CC1=NC2=C(C=CC=C2OCC3=NN=C(N3C)SCC(=O)O)C=C1 1 2.194 4 3 0 -16.6889538562051 972783 C1CSCCN1C2=C(C=C3C(=C2)N=CC=N3)F 1 2.094 3 0 -0.248323007211883 972782 CC(C)C1=CC=C(C=C1)NC(=S)NC2CCCCCC2 1 6.021 2 0 -7.13686294615875 972780 CC1=C(C(=CC=C1)NC(=S)NCCC2=CC=C(C=C2)F)C 1 5.594 2 0 -4.72154487145329 972779 COC1=CC=C(C=C1)NC(=S)NC2=CC3=NC=CN=C3C=C2 1 3.814 4 1 -3.38240732398939 972766 CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)NC3=CC=CC=C3 1 3.345 1 3 -9.47697697839455 972763 CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=CC(=C2C)C 1 4.696 2 2 -12.1011518312815 972762 CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)NC3CCCCC3 1 3.627 1 3 -12.0817618844555 972758 C1=CC(=CC=C1C2=NN=NN2CC(=O)O)F 1 0.752 4 2 0 -12.1324125425969 972709 C1=CC=C(C=C1)CCNC2=NC(=CS2)C3=CN=CC=C3 1 2.864 3 0 3.10645512013506 972710 COC1=CC(=C(C=C1)NC2=NC(=CS2)C3=CN=CC=C3)OC 1 2.503 3 2 3.71057073704818 972711 C1CN(CC2=CC=CC=C21)CCNC(=O)NC3=CC=C(C=C3)F 1 2.948 3 1 -8.63966777317441 972714 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC=CC(=O)N3 1 1.349 4 2 0 -10.7442544233661 972720 C1CC1NC(=S)N2CCC3=CC=CC=C3C2 1 3.341 2 0 -12.2292890349749 972722 CC1=NC(=CC=C1)NC2=NC(=CS2)C3=CC=C(C=C3)F 1 3.563 3 0 8.77611285330812 972724 C1COCCN1C2=CC=C(C=C2)NC(=S)NCC3=CC=CO3 1 3.127 3 2 -10.1498452664699 972752 CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=CC=N3)F 1 1.87 4 2 0 -2.05405662165562 972750 C1CC1C(=O)C2=CN(C3=CC=CC=C32)CC(=O)O 1 2.308 1 3 -10.3013791025533 972745 CC1=CN=C(C=C1)NC2=NC(=CS2)C3=CC=C(C=C3)F 1 3.767 3 0 7.52869377613765 972742 CCOC(=O)C1CCN(CC1)C(=O)NC2=CC3=C(C=C2)SN=N3 1 2.001 4 3 0 -12.5390272736154 972740 CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)NC(=S)N3)F 1 3.113 4 2 -7.15546358210078 972738 CN1C2=CC(=C(C=C2N=C1SC)F)F 1 3.045 2 0 0.188637833708427 972737 CC(C)NC(=O)C1(CCOCC1)C2=CC=CC=C2 1 1.906 1 2 0 -14.8464016843642 972733 C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CSC3=NC=NN3 1 2.814 5 1 -27.1994435671332 972729 C=CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CN=CC=C3 1 3.458 4 0 -11.5322787869139 972727 CC1=CC=CC=C1CN2N=C(N=N2)C3=CC(=CC=C3)C(=O)O 1 3.204 4 2 -0.569590419067175 972726 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=NC=C(C=C3)Cl 1 2.86 4 1 5.49958959657144 972725 CC1=NC(=CC=C1)NC2=NC(=CS2)C3=CC(=CC=C3)NC(=O)C 1 2.478 4 1 4.82362857346296 972705 C1=CN=C(N=C1)NC2=NC(=CS2)C3=CC=C(C=C3)O 1 2.187 4 1 6.77340720672432 972703 CC1CCN(CC1)CC(=O)NCC2=CC=CC=C2 1 2.132 2 1 -12.4974157529893 972691 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2C 1 3.161 1 3 -9.12524960504995 972687 CN(C1=CC=C(C=C1)O)C2=NC(=CS2)C3=CN=CC=C3 1 2.5 3 1 5.0300161597289 972685 C1CN(CCN1C2=CC=CC=C2O)C(=S)NCCC3=CC=CC=C3 1 4.485 3 1 -6.43293193122009 972671 COC1=CC=C(C=C1)C2(CCOCC2)C(=O)NCCN3CCOCC3 1 0.989 2 4 0 -12.3619954950596 972670 COC1=CC=C(C=C1)C2=CC(=O)N=C(N2)NCC3=CC=CC=C3 1 2.564 3 2 -4.7902781080674 972662 COC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N 1 2.377 3 3 -14.4695706492113 972661 CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3)C 1 5.038 4 0 -7.70937175000458 972660 CC1(CC2=C(C=NN2C3=NC4=CC=CC=C4N3)C(=O)C1)C 1 2.963 4 1 -5.0211730270634 972659 CC1=NC2=C(S1)C=C(C=C2)NC(=O)N3CCCCC3 1 2.413 3 1 -5.5019166420121 972654 CCC1=NC2=CC(=C(C=C2N1)Cl)Cl 1 3.601 2 0 0.792083692586544 972653 CC1=CC(=O)N=C(N1)SCC2=CC(=C(C=C2)OC)Br 1 3.283 2 2 -15.4493670556077 972645 CC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=NC=C2 1 1.863 4 2 0 -10.4970422589408 972644 C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)NC4=CC=CC=C4 1 2.942 5 0 -3.53159385677513 972634 CC(C)N1C2=CC=CC=C2N=C1NCC3=CC=CS3 1 3.479 3 0 -5.73188340446296 972624 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=NSN=C3 1 2.314 3 1 -8.33480061858731 972621 CC1=NC2=C(S1)C=C(C=C2)NC(=O)NCC3=CC=CO3 1 2.056 3 2 -6.74586677057915 972620 CCN1N=C(N=N1)NC(=O)C2=CC=C(O2)Br 1 1.503 5 2 0 -7.85140661161401 972613 CC1=CC(=C(C=C1C(=O)CSC2=C(C(=CC(=N2)C)C)C(=O)N)C)C 1 4.245 2 2 -5.76798427728237 972610 C1=CC(=C(C=C1F)Cl)CSC2=NN=C(S2)N 1 3.094 3 0 -6.7472739732974 972608 C1COCCN1C2=CC=CC=C2NC(=S)NCCC3=CC=CC=C3 1 4.266 3 1 -9.95762478885068 972604 CC1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.98 1 3 -1.45403545593824 972603 C1=CSC(=C1C#N)NC(=O)CSC2=NC=NN2 1 0.975 5 1 0 -17.5611261725761 972602 CC(C)(C)NC(=S)NC1=CC=C(C=C1)NC2=CC=CC=C2 1 4.993 3 0 -8.45094175378382 972599 C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CC=NC=C4 1 2.262 5 0 -4.63351503799704 972596 CCOC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2 1 2.521 1 4 -8.13770488977583 972595 C1=CC=C(C=C1)C2=NSC(=N2)NC(=O)C3=CC=CS3 1 3.058 3 1 -1.0981357373602 972593 CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3)C 1 3.772 5 0 -7.12068234872229 972591 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CN2CCCCC2)OC 1 1.696 2 5 0 -13.5615579783902 972588 C1=CC(=CC=C1NC(=S)NC2=CC3=NC=CN=C3C=C2)F 1 4.036 4 0 -2.25756408938 972587 CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCO 1 2.206 3 2 -11.6387569413086 972578 C1CC1NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.436 3 2 0 -15.0687253249225 972574 C1=CC=C(C(=C1)CNC(=S)NC2=CC=CC=C2Cl)Cl 1 5.424 2 0 -8.39798675641648 972567 COC1=C(C=C(C=C1)Cl)NC(=S)NC2CCCC2 1 4.562 2 1 -6.44260367712392 972563 C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Br)CO 1 2.593 1 3 -4.31118833149816 972562 CC1(CC(CC(N1)(C)C)NC(=S)NC2=CC=C(C=C2)C(=O)OC)C 1 3.107 3 2 -16.7337005511101 972560 CC(C)NC(=O)C1(CCCC1)C2=CC(=C(C=C2)OC)OC 1 3.186 1 3 -15.1664220974497 972554 CC1=NC2=C(C=C(C=C2)NC(=S)NCC3=CC=CC=C3)N=C1C 1 4.125 4 0 -9.11492858865118 972552 CC(C)(C)NC(=S)NC1=CC(=C(C=C1OC)Cl)OC 1 4.075 2 2 -14.3699106423763 972551 CC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2Cl)N3C(=O)CCC3=O 1 3.572 1 4 -10.8962851585929 972549 C1C(=NN2C(=NN=C2S1)CC3=CC=CC=C3)C4=CC=CC=C4 1 3.755 4 0 -6.34691691571861 972546 C1=CC=C(C=C1)NC(=S)NS(=O)(=O)C2=CC=C(C=C2)F 1 3.674 2 2 -6.27437270171838 972542 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NC4=CC=CC=C4S3 1 3.416 2 2 -5.18992515901728 972539 C1=CC=C(C=C1)OCC2=NN=C(N2N)SC(F)F 1 2.367 4 1 -7.09575904889795 972538 CC(C)NC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C3CC3 1 2.613 2 2 -19.7500103494466 972536 CC1=CC(=C(C=C1C=O)C)N2CCCC2 1 3.184 1 1 -8.49072691642602e-002 972535 CCC1=CC=C(O1)CCC(=O)NC2=CC=C(C=C2)C(=O)O 1 2.521 1 4 -8.29708492544513 972533 C1=CC=C(C(=C1)C2=NC(=O)NC3=C2C=C(C=C3)F)Cl 1 3.891 2 1 -2.55616577702793 972531 CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)OC 1 2.716 1 5 -15.060927460296 972529 COC1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)C(=O)OC 1 4.256 2 3 -11.6467299591693 972528 CC1=C(C=C(C(=N1)SCCC(C)C)C#N)C(=O)C 1 3.242 2 1 -12.8657771046505 972515 CC1=NC2=C(S1)C=C(C=C2)NC(=O)N(C(C)C)C(C)C 1 2.949 3 1 -3.49401221578179 972514 C1CCCC(CC1)NC(=S)NC2=CC=CC=C2Cl 1 5.491 2 0 -6.41521853191513 972507 CC1=C(C=C(C=C1)NC2=NC(=CS2)C3=CN=CC=C3)C 1 3.508 3 0 6.40473005777926 972506 C1=CC=C(C=C1)C2=NSC(=N2)NC(=O)C3=CC=NC=C3 1 1.954 4 1 0 -1.18750972314004 972505 C1=CC=C(C(=C1)CN2N=C(N=N2)C3=CC=C(C=C3)C(=O)O)F 1 2.924 4 2 -1.22298740083832 972502 CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)O)C 1 3.453 2 1 -7.16727112334244 972500 CC1=C(C(=CC=C1)C)OCC2=NNC(=S)O2 1 3.351 2 2 -6.44885137044181 972499 CC1=CC(=NC=C1)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C 1 2.682 4 1 4.28313046904937 972496 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NCC3=CC=CO3 1 1.996 3 2 0 0.402422806773396 972493 CC1CCN(CC1)C(=O)CSC2=NN=C(S2)N 1 1.075 4 1 0 -17.0114762704861 972486 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CN=CC=C3 1 2.232 3 3 -5.32493390526801 972485 CC1=C(C=C(C=C1)NC(=S)NC2CCCC2)C 1 4.886 2 0 -7.31376894328242 972481 C1=CC=C(C=C1)CNC(=O)CN2C=NC3=CC=CC=C32 1 2.194 3 1 -15.6750415775331 972480 CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)NC3=CC=NC=C3 1 2.194 2 3 -9.73761318636145 972479 CC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)N3C(=O)CCC3=O)C 1 3.394 1 4 -12.8259646233728 972471 CC1=C(C=C(C(=N1)SCC(=O)NC2=NC=CS2)C#N)C(=O)C 1 1.295 4 2 0 -18.1386681244576 972467 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCCC2 1 1.868 2 3 0 -7.5387181026972 972463 CCNC(=O)C1=C(C2=C(O1)CC(CC2=O)(C)C)C 1 2.117 1 3 -11.1252767195356 972461 CC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CN=CC=C2 1 2.685 3 1 -14.0187921970871 972446 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=CC(=C3)C#N 1 1.494 5 2 0 -14.9081138699845 972442 CN1C(=NN=N1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 1.155 5 3 0 -26.9087696062022 972439 CN1C2=C(C3=C(S2)CCCC3)C(=N)N(C1=O)CC4=CC=CO4 1 2.966 3 2 -11.196434428342 972437 CC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)F 1 4.362 2 1 -11.3201653388939 972436 CC1=NC2=CC=CC=C2C(=C1)C3=NN4C(=NN=C4S3)C5=CC=CC=C5 1 3.847 5 0 -0.166185722335504 972430 C1=CC=NC(=C1)NC(=S)NCC2=CC=CO2 1 2.666 3 1 -7.98221997838365 972426 C1CC1NC(=S)NCCC2=CNC3=CC=CC=C32 1 3.345 3 0 -12.9836081625932 972424 C1CCN(CC1)C(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 2.555 2 4 -5.86610462877021 972423 COC1=C(C(=CC(=C1)Cl)C(=O)O)OCC(=O)O 1 1.572 0 6 0 -7.08252771186624 972422 CC1=C(C=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C 1 4.836 2 2 -8.99098809669918 972421 CC1=CN=C(C=C1)NC2=NC(=CS2)C3=CC=CS3 1 3.515 3 0 4.5652694096427 972417 C1=CC=NC(=C1)C2=CSC(=N2)NC3=CN=CC=C3 1 1.814 4 0 0 8.22493144069047 972409 C1=CC=C(C=C1)NC(=S)NNC(=O)COC2=CC(=CC=C2)Cl 1 3.773 3 2 -7.19167590758265 972408 CCCC1=CN(N=C1N)S(=O)(=O)C2=C(C=C(C=C2)OC)OC 1 2.789 3 4 0 -3.66036456326499 972407 COC1=NC(=NC(=N1)OC2=NNC(=O)C=C2)N3CCOCC3 1 0.367 6 4 0 -12.6910413099611 972406 COC1=CC=CC2=C1OC(=C2)C3=NNC(=S)N3CC=C 1 3.297 3 2 -5.85925028553949 972401 CC1(CC(CC(N1)(C)C)NC(=S)NC2CC2)C 1 1.887 3 0 0 -13.2151613740792 972394 CN1CCN(CC1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 0.808 4 3 0 -4.65747329438929 972393 COC1=C(C2=C(C=C1)C=C(C=C2)Br)CC(=O)N3CCCC3 1 3.38 1 2 -4.4054098226965 972392 C1=CC(=CC=C1CCNC(=S)NC2=CC(=C(C=C2)F)Cl)F 1 5.492 2 0 -5.35725914776611 972391 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NCC3=CC=CO3 1 4.252 3 1 -4.32729126082136 972389 CC(C)(C)CC(C)(C)NC(=O)C1=CC2=C(C=C1)SN=N2 1 3.58 3 1 -14.528368900427 972380 CC1=C(C(=CC=C1)NC(=S)NC2=CC=C(C=C2)N3CCOCC3)C 1 5.189 3 1 -3.84618750785645 972379 CC1=NC2=C(C=CC=C2S(=O)(=O)NC3=CC4=C(C=C3)OCO4)C=C1 1 2.554 2 4 -5.61158320839655 972376 CCOC1=C(C=C(C(=C1)C(=O)O)Br)OCC 1 2.872 0 4 -5.22588717204036 972371 COC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 4.03 1 4 -6.92523150221192 972364 CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=CC(=C2C)C 1 4.229 3 2 -9.20714000518928 972361 C1=CC=C(C(=C1)NC(=S)NC2=CC=CC=N2)Cl 1 4.419 3 0 -2.75517599073775 972360 CC(C)NC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3 1 3.519 2 2 -17.1210731177988 972358 CC1=C(SC(=N1)C)C2=CSC(=N2)NC3=C(C=C(C=C3)OC)OC 1 2.944 3 2 6.27364747532196 972352 COC1=CC=C(C=C1)CNC(=S)NC2=CC(=C(C=C2)F)Cl 1 4.949 2 1 -5.42248475830613 972348 CC1=CC=C(C=C1)NC(=O)C2(CCOCC2)C3=CC=C(C=C3)OC 1 3.226 1 3 -9.66816638539271 972347 C1=CC=C(C=C1)CC2=NN3C(=NN=C3S2)COC4=CC=CC=C4 1 3.248 4 1 -6.44507743066279 972346 CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)C 1 1.932 2 3 0 -6.70159051352424 972345 CC(C)(C)NC(=S)NCCC1=CC=CC=C1 1 3.493 2 0 -12.3121901431311 972343 CCOC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=N2)N)C3=CC=CC=C3 1 3.274 3 3 -1.98746553407401 972339 CC1CCN(CC1)CCNC(=S)NC2=CC=C(C=C2)Cl 1 4.484 3 0 -8.82315118564085 972338 CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)NCC3=CN=CC=C3 1 2.201 2 3 -13.5222765222781 972336 COC1=C(C=C(C=C1)Cl)NC(=S)NNC(=O)C2=CN=CC=C2 1 2.771 4 2 -7.59437342891178 972324 CC(C)NC(=O)C1=NC2=CC=CC=C2S1 1 2.254 2 1 -8.75091258295847 972317 CC1=NC(=CC=C1)NC2=NC(=CS2)C3=CC=CC=N3 1 2.635 4 0 8.66804160693989 972315 CC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)O 1 2.22 2 2 -14.3219573030729 972313 COC1=CC=CC(=C1)CNC(=S)NC2CC2 1 2.714 2 1 -9.40860657891855 972310 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC 1 1.75 2 4 0 -10.5847878896771 972301 C1CCN(C1)CCNC(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F 1 2.559 4 1 -10.6731355485184 972298 C1=CC=C(C=C1)CCC2=NN3C(=NN=C3S2)C4=CC=CC=C4Cl 1 4.534 4 0 -2.36882229982396 972297 CN1C2=C(C3=C(S2)CCC3)C(=N)N(C1=O)CC4=CC=CO4 1 2.509 3 2 -10.8876243074573 972296 COC1=CC(=CC(=C1)C(=O)NNC(=S)NC2CC2)OC 1 1.876 3 3 0 -12.1383582246282 972295 CC1=NC(=CC=C1)NC(=O)C2=C(C3=C(O2)CC(CC3=O)(C)C)C 1 3.016 2 3 -8.8115976610627 972292 C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)O)O 1 3.202 2 2 9.94129896350441 972291 C1OC2=C(O1)C=C(C=C2)C3=NN4C(=NN=C4S3)CC5=CC=CC=C5 1 3.181 4 2 -6.36143997187277 972289 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=NC=CC=N3 1 1.549 5 1 0 -0.255893996295494 972287 COC1=C(C=C(C=C1)Cl)NC(=S)NNC(=O)C2=CC=CS2 1 3.875 3 2 -7.64776148333099 972269 COC(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(SC=C2)C(=O)OC 1 2.114 1 6 0 -10.4787703027294 972260 CN1CCN(CC1)C(=S)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.519 3 2 -2.95769751443521 972247 CC1=C(C(=NN1C2=CC=CC=C2)C)NS(=O)(=O)C3=CC=CC=C3 1 2.972 3 2 -3.16376500865057 972245 C1COCCN1NC(=S)NCC2=CC=C(C=C2)Cl 1 2.235 3 1 -6.71834976840824 972242 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NOC(=C2)C 1 1.865 3 4 0 -15.9178334079412 972236 CC(C)NC(=S)NCC1=CN=CC=C1 1 1.816 3 0 0 -13.7438744107526 972229 CCC1=C(SC=C1C(=O)NNC(=O)NC2=CC3=C(C=C2)OCO3)C 1 2.297 3 4 0 -9.44963719093545 972224 CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN=CC=C2)C 1 3.945 3 2 -12.9583555739164 972218 COC1=CC(=C(C=C1)C2=C(NN=C2)N)OC 1 1.137 3 2 0 -0.884843312391576 972201 CC1=CC2=C(C=C1C)N(C=N2)C(=O)N3CCCC3 1 2.97 3 1 -3.06142019077254 972200 CC1=C(C=CC(=C1)OC)NC(=O)NC2=C(C=C(C=C2)F)F 1 3.403 2 2 -5.69590211781718 972181 C1=CC(=CN=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)Br 1 2.167 2 2 -5.68262113946852 972180 CC1=CC(=C(C(=C1OC)C)C)S(=O)(=O)N2CCCC2 1 2.85 1 3 -9.13534899292015 972178 C1=CC2=C(C(=C1)SC3=C4C=CC=NC4=C(C=C3)[N+](=O)[O-])N=CC=C2 1 4.215 3 2 -1.76276207762007 972166 CCOC1=CC=C(C=C1)NC(=O)NNC(=O)C2=CN=CC=C2 1 0.961 4 3 0 -8.45890110200671 972165 C1CCCN(CC1)CC2=NC3=CC=CC=C3N2 1 2.985 3 0 2.88042155641996 972160 C1=CC(=CN=C1)C2=NN(C(=N2)N)C(=O)C3=CC=C(C=C3)F 1 1.714 5 1 0 0.835519562270019 972157 CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=CC=C2SC 1 3.534 2 2 -11.0884204056679 972153 C1=CC(=CC=C1C2=NN(N=N2)CC(=O)O)OCC(=O)O 1 0.451 4 5 0 -5.76591842773851 972150 COC(=O)C1=CC=CC=C1NC(=O)N2CCCC2 1 1.468 2 3 0 -11.9298281634026 972149 C1=CC=C(C=C1)NC(=S)NC2=C(C(=CC=C2)Cl)Cl 1 5.695 2 0 -4.10515297159997 972147 CC(C)NC(=S)NCC1=CC=CS1 1 2.707 2 0 -14.0692368525204 972146 COC1=CC(=C(C=C1)NC(=S)NC2=CC=CC=C2SC)OC 1 4.875 2 2 -12.2967069150109 972135 CN(C)C1=CC=C(C=C1)C(=S)NC2CCCCC2 1 4.152 2 0 -4.82823162903183 972122 CC1=CC2=C(C=C1)OC(=O)N2CC(=O)OC(C)C 1 2.465 1 4 -6.35158784619698 972120 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC2 1 3.713 2 2 -15.5609137945947 972118 CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)OC 1 2.169 2 2 -4.21554469663555 972114 CCOC1=CC=C(C=C1)NC(=O)N(CC(C)C)CC(C)C 1 3.868 2 2 -7.57969864044462 972109 CSC1=CC=CC=C1NC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 4.393 2 1 -8.78041409809301 972108 CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CO2 1 2.537 3 3 -15.7079087619848 972100 CC1=CC(=C(C=C1)OC)NC(=O)NCCC2=CCCCC2 1 3.743 2 2 -12.6428696353746 972091 C1=CC(=CN=C1)NC(=S)NC2=CC(=C(C=C2)F)Cl 1 4.086 3 0 -2.27683493337787 972089 CCN1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br 1 1.607 2 2 0 -11.444327595535 972087 CC(=O)C1=CC(=CC=C1)NC(=O)N2CCCC3=CC=CC=C32 1 2.999 2 2 -9.30773243940759 972083 CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)OC 1 2.145 2 3 -11.2129592382006 972077 CC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CN=CC=C2 1 1.119 3 2 0 -9.68429497069225 972073 CNC1=NC(=NC(=N1)N2CCOCC2)SCC3=CC=CC=C3 1 2.2 5 1 -8.88468370397016 972072 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(S2)C#CC(C)(C)O 1 3.92 1 2 -10.2156719506847 972071 CC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CC=N2 1 1.334 3 2 0 -9.36615916373071 972070 CC1=CC(=C(C=C1S(=O)(=O)N2CCN=C2C3=CC=CC=C3)C)OC 1 3.43 2 3 -2.14726296055435 972069 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2C3=CC=CC=C3 1 2.806 2 3 -8.73148167503224 972067 CC1=CC(=C(C=C1)OC(F)F)NC(=O)NC2=CC3=C(C=C2)OCO3 1 3.582 2 4 -6.92030322619132 972063 CCCN1CCN(CC1)C(=O)NC2=CC=C(C=C2)C(=O)OCC 1 2.186 3 3 -7.57064028333631 972053 C1=COC(=C1)CNC(=S)NC2=CC=C(C=C2)CC(=O)O 1 2.942 2 3 -13.806875525344 972050 COC1=C(C=C(C=C1)NC(=O)NC2=C(SC=C2)C(=O)OC)OC 1 2.298 2 5 0 -13.1570939812849 972049 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=C(N(N=C2C)C)C 1 1.805 4 3 0 -7.06519347010351 972043 CCN1C(=C(C=N1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)N 1 1.757 5 2 0 -3.10869616187926 972041 CN1CCN(CC1)NC(=O)NC2=CC(=C(C=C2)OC)OC 1 0.584 4 3 0 -6.13078087237759 972037 CC(=O)NC1=CC(=CC=C1)NC(=S)NC2=CC(=C(C=C2)F)Cl 1 4.357 3 1 -5.62780319040851 972027 CCOC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2SC 1 3.397 2 2 -10.1151983544771 971970 COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC=CC=C2SC 1 3.712 2 2 -9.07337311343157 971971 COC1=C(C=C(C=C1)Cl)NC(=S)N2CCCCCC2 1 5.069 2 1 -9.44042041112871 971979 CCC1=CC=CC=C1N2C(=NNC2=S)C3=CC=NC=C3 1 3.47 4 0 -3.72902412319381 971985 CC1=C(N=CC=C1)NC(=S)NC2=C(C=C(C=C2)F)F 1 4.652 3 0 -1.61615626745804 972015 CN1C2=CC=CC=C2N(C1=O)CC(=O)NC3=CC=C(C=C3)F 1 1.946 3 2 0 -9.54820087280794 972011 COC(=O)C1=CC=CC=C1NC(=O)NCC2=CC=CO2 1 1.566 2 4 0 -14.9785253601731 972007 COC1=C(C=C(C=C1)NC(=O)NCCC2=CC=C(C=C2)Cl)OC 1 3.482 2 3 -9.14006188497087 971995 CCSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC=C3F 1 3.969 2 1 -5.89784144737919 971960 COC1=C(C=C(C=C1)NC(=O)N2CCCCCC2)OC 1 2.492 2 3 -10.7327027156455 971959 CSC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.645 1 4 -10.8065857623657 971957 CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)N3CCCC3)Cl 1 3.022 3 1 0.367885712001826 971950 CC1=C(C(=NN1C)C)CN(C)C(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.461 4 2 -0.468700887624835 971947 CC1=CC(=CC=C1)NC(=S)NNC(=S)NCC2=CC=CC=C2 1 4.892 4 0 -5.22792861290684 971930 CC1=CC(=NC(=N1)NC(=O)NC2=CC=CC=C2C(F)(F)F)C 1 2.772 4 1 -7.34564340951601 971923 C1CCN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.214 3 2 -16.3471141575225 971922 CCN1CCN(CC1)C(=O)NC2=CC=C(C=C2)OCC 1 1.79 3 2 0 -5.21309355283966 971920 CSC1=CC=C(C=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3 1 4.75 2 0 2.82919870161226 971919 CC(C)NC(=O)C1=CC=CC=C1NC(=O)COC 1 0.621 2 3 0 -17.9927595199152 971918 C1CCCC(CCC1)NC(=O)NC2=CC=C(C=C2)F 1 3.922 2 1 -5.79748652898886 971909 C1=CC(=CN=C1)C2=NN(C(=N2)N)C(=O)C3=CC=CO3 1 0.904 5 2 0 -0.904201891055129 971900 CC(C)CN(CC(C)C)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-] 1 3.43 3 3 -8.45652901403755 971893 CC1=C(C=C(C=C1)C(=O)O)NC(=O)NC2=C(C=CC(=C2)OC)OC 1 2.606 2 5 0 -10.2922438306402 971891 COC1=CC=CC(=C1)C(=O)NC2=C(C=CC=C2F)F 1 3.009 1 2 -4.41855969340801 971881 C1=CC(=CN=C1)NC(=O)NC2=CC(=C(C=C2)F)Cl 1 2.242 3 1 -1.10931138363075 971878 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NN(C=C2)C 1 1.916 4 3 0 -8.00339325427486 971874 COC(=O)NNC(=S)NC1=CC=C(C=C1)Br 1 3.001 3 2 -6.72178872614511 971866 CC1=CC(=C(C=C1)OC)NC(=O)N2CCN(CC2)S(=O)(=O)C 1 0.629 3 4 0 -19.0654091317997 971862 COC1=C(C=C(C=C1)Cl)NC(=S)NCC2=CN=CC=C2 1 3.593 3 1 -8.80762038950323 971861 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=NC=CN=C3 1 0.528 4 3 0 -6.33523661163822 971860 CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 3.806 4 1 -11.0030539102792 971857 CN1C=CN=C1SCC(=O)NC2=NC3=CC=CC=C3S2 1 2.268 4 1 -6.09548559078777 971847 C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=CC=C3C(F)(F)F 1 5.648 2 0 -11.3485674242396 971846 CCCN1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.583 4 2 -14.6655313830644 971845 CCCN1CCC(CC1)NC(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.577 3 2 -5.52960977561139 971844 CC(=O)N(C)C1=CC=C(C=C1)NC(=S)NC2=CC=CC3=CC=CC=C32 1 4.601 3 1 -9.25034619098338 971838 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=NC=C2 1 2.839 4 2 -9.89945568874715 971834 CCN1C=C(C(=N1)C(=O)N)NC(=O)NC2=CC=CC=C2C(=O)OC 1 0.807 5 4 0 -14.6387848380462 971830 C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=CC4=C(C=C3)OCO4 1 0.671 5 3 0 -4.61218449101969 971826 CNC(=S)NC1=CC=C(C=C1)OC(F)(F)F 1 4.632 2 1 -4.41691774117085 971814 CCN1CCN(CC1)C(=S)NCC2=CC=C(C=C2)C 1 3.569 3 0 -9.59860256629088 971813 CCN1C(=NNC1=S)CCCC2=CC(=C(C=C2)OC)C 1 3.867 3 1 -1.87400310602718 971812 C1COCCN1C(=O)NC(=O)C2=CC=CC=C2 1 0.711 2 3 0 -8.33530613064437 971810 CSC1=CC=CC=C1NC(=S)NC2=CC=CC=C2C(F)(F)F 1 5.85 2 0 -8.66172844223996 971803 C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)OC(F)F)C(F)(F)F 1 4.27 2 2 3.66695261403174 971797 CC1=C(SC=C1)C(=O)NNC(=S)NC 1 1.859 3 1 0 -10.8104146796882 971791 CC1=CC(=C(C=C1)OC)NC(=O)NN2C=NN=C2 1 0.611 5 2 0 -7.84790269437448 971790 CCN1CCN(CC1)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.4 3 1 0.113609094430084 971774 CC1=C(C=CC(=C1OC)C(=O)CN2C(=O)C3=CC=CC=C3C2=O)OC 1 2.571 1 5 -2.83920183619939 971773 CC1=CC(=NO1)NC(=O)NC2=CC(=C(C=C2)F)Cl 1 2.531 3 2 -9.73680151215546 971765 CCOC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(=O)OCC 1 3.059 2 4 -8.38845215487249 971760 COC1=C(C=C(C=C1)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Cl 1 3.065 3 4 0 -5.35899409955525 971757 CN1CCC(CC1)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.517 4 2 -6.28756381987354 971756 COC1=C(C=C(C=C1)NC(=S)NCC2=CC=CS2)OC 1 3.802 2 2 -15.0863520318224 971750 CC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)C(=O)NC3=CC=C(C=C3)C 1 3.649 3 2 -7.27114156146411 971747 C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=CN2)/C#N 1 2.368 2 2 -5.42751457784758 971733 C1=CC=C(C=C1)CC2=C(NC3=C(C2=O)C=C(C=C3)Cl)O 1 4.251 1 2 -3.55763219720634e-002 971731 CCOC1=CC=CC=C1NC(=S)N2CCCCCC2 1 4.754 2 1 -13.3841965196133 971730 CC1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.556 4 4 0 -13.6912841380509 971728 COC1=C(C=C(C=C1)NC(=S)N(CC=C)CC=C)OC 1 4.249 2 2 -18.3158144675051 971726 CN1CCN(CC1)C(=S)C2=CC=C(C=C2)N(C)C 1 2.787 3 0 -3.11313604277691 971723 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)NCC2=CC=CC=N2 1 2.536 3 1 -8.85493850259099 971721 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C32 1 3.007 2 3 -12.591151525227 971719 CC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC(=CC=C2)Cl 1 4.821 2 1 -9.60549805883931 971718 C1=CC(=CN=C1)C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)N 1 2.173 5 1 3.05112266225429 971717 C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)N)/C#N 1 1.821 2 4 0 -11.4743427402054 971702 CC1=CN=C(C=C1)NC(=O)NC2=CC=CC=C2C(=O)OC 1 2.252 3 3 -12.8016654993811 971690 C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)Br)F 1 5.32 2 0 -2.27855017118946 971674 C1OC2=C(O1)C=C(C=C2)NC(=S)NCC3=CN=CC=C3 1 2.713 3 2 -12.3874404062835 971668 COC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CN=CC=C3)N 1 1.492 5 2 0 -3.16708346009114 971667 CCCN1CCC(CC1)NC(=S)NC2=C(C(=CC=C2)Cl)Cl 1 4.824 3 0 -4.01473578987314 971664 CC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C 1 -0.101 3 4 0 -19.4657818773153 971660 CC1=CN=C(C=C1)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.292 4 3 0 -6.62308819535746 971659 CCCN1CCC(CC1)NC(=S)NC2=CC(=C(C=C2)OC)OC 1 3.462 3 2 -10.2622594001208 971648 CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C 1 2.224 2 3 -13.6935356787918 971646 CC(C)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC 1 1.812 1 4 0 -15.3718898771569 971643 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN=C2C3=CC=CC=C3)C 1 3.933 2 2 -3.43617436947883 971642 C1=COC(=C1)CNC(=O)NC2=C(C=C(C=C2)Br)Cl 1 3.124 2 2 -5.59655055519374 971640 C1CN(CC2=CC=CC=C21)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-] 1 4.6 3 2 -14.444038336305 971628 C1COCCN1CCCN2C(=NNC2=S)C3=CC=C(C=C3)Cl 1 2.655 4 1 -3.76135955683737 971626 CC1=CC(=NC(=N1)NC(=O)NC2=C(C=C(C=C2)F)F)C 1 2.241 4 1 -6.31392800901515 971620 C1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CN=CC=C3)N 1 1.543 5 1 0 -1.99057287947828 971616 CCC1=C(N=C(N=C1N2C(=N2)SC)N)C 1 2.173 5 0 -6.7130245223774 971615 CCN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC 1 1.22 2 4 0 -13.1527422070576 971614 CCOC1=CC=CC=C1NC(=S)NCCC2=CC=C(C=C2)F 1 4.954 2 1 -10.0527696397946 971608 C1OC2=C(O1)C=C(C=C2)NC(=O)NCC3=CN=CC=C3 1 1.147 3 3 0 -9.97250638630823 971606 COC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2C(=O)N)OC 1 1.492 3 4 0 -11.9899239002545 971605 CCOC1=CC=CC=C1NC(=S)NCC2=CC=CO2 1 3.609 2 2 -12.4793879986458 971600 C1CCCN(CC1)C(=S)C2=CC3=C(C=C2)OCO3 1 3.809 1 2 -6.19998083106446 971586 CC1=CC(=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCO3)Br 1 3.525 2 3 -7.582699342549 971580 CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(NC(=O)NC2=O)C)C 1 0.666 3 4 0 -14.967418501613 971577 CC1=C(C=CC=C1Cl)NC(=S)NC2=CC=CC(=C2)NC(=O)C 1 4.637 3 1 -6.82248077191115 971573 CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=CC=C2C(=O)OC 1 3.063 3 4 0 -16.6597618648472 971568 C1CCC(C1)NC(=S)NC2=CC=CC=C2OC3=CC=CC=C3 1 5.474 2 1 -7.34995707224188 971566 COC1=CC(=C(C=C1)NC(=S)NC2=CN=CC=C2)OC 1 3.183 3 2 -8.92949207377433 971559 CCOC(=O)C1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)OC)OC 1 2.694 2 5 0 -16.1251631249927 971556 CC1=C(C=CC=C1Cl)NC(=S)NC2CCN(CC2)C(C)C 1 4.5 3 0 -5.74257878363238 971550 CC1=CC=C(C=C1)CNC(=S)N2CCOCC2 1 2.951 2 1 -12.3172794874844 971540 C1CCC(C1)NC(=S)NC2=CN=CC=C2 1 2.763 3 0 -7.66259826978809 971531 CN1CCN(CC1)NC(=O)NC2=CC=CC=C2C(=O)OC 1 0.473 4 3 0 -9.03525916181335 971523 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCN3CCOCC3 1 0.22 4 3 0 -11.6915989723343 971509 CC(=O)C1=CC(=CC=C1)NC(=O)N2CCC3=CC=CC=C3C2 1 2.55 2 2 -11.4295536374468 971504 C1=COC(=C1)CNC(=S)NC2=CC(=C(C=C2)OC(F)F)Cl 1 4.747 2 2 -7.92159835589518 971503 CC1=CC=C(C=C1)CNC(=S)NC2=C(C=CC(=C2)C(=O)O)C 1 4.697 2 2 -11.3967756777601 971446 CC1=CC(=NC(=C1)NC(=O)NC2=CC=CC=C2C(=O)OC)C 1 2.535 3 3 -10.7028172596879 971450 C1COCCN1NC(=S)NC2=CC=CC=C2C(F)(F)F 1 2.784 3 1 -6.7403745242097 971455 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SC 1 3.191 1 3 -7.936192071686 971456 COC1=C(C=C(C=C1)NC(=S)N2CCC3=CC=CC=C3C2)OC 1 4.673 2 2 -17.2092930614543 971460 C1CCCN(CC1)C(=S)NC2=CC=CC(=C2)C(F)(F)F 1 5.363 2 0 -6.25392398531218 971461 CC1=CC(=C(C=C1)OC)NC(=S)NC2=CC=CC=C2SC 1 5.378 2 1 -10.1242652910168 971464 CS(=O)(=O)NC1=CC(=C(C=C1)N2CCCCC2)Cl 1 2.484 2 2 -0.725934530518669 971478 COC1=CC(=CC(=C1OC)OC)NC(=S)NCC2=CC=CO2 1 3.228 2 4 -14.0824943154103 971445 C1=CC=C(C(=C1)NC(=S)NC2=CC(=C(C=C2)F)Cl)OC(F)F 1 6.042 2 1 -3.80053211510188 971444 CC1=NN=C(S1)SCC(=O)N2CCCCC2 1 1.289 3 1 0 -17.9276318829139 971442 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=NC=C(C=C3)Br 1 2.427 3 3 -7.78129584351893 971438 CC1=C(C=C(C=C1)OC)CN2C3=CC=CC=C3N=C2C4=NON=C4N 1 3.555 5 2 0 -2.77211868210104 971435 CC1=C(SC(=N1)NC2=CC=CC=C2)C 1 2.168 2 0 1.20993199414775 971434 CC1=CN=C(C=C1)NC(=S)NCCC2=CC=CC=C2 1 3.819 3 0 -9.57068133644467 971432 C1COC2=C(O1)C=CC(=C2)NC(=S)NC3=CC4=C(C=C3)OCO4 1 3.92 2 4 -8.5361591801613 971431 CC1=C(C=CC=C1Cl)NC(=S)NC2=CC=C(C=C2)C(=O)C 1 5.257 2 1 -7.09605196937935 971426 CC1=C(C2=NSN=C2C=C1)S(=O)(=O)NC3CC3 1 1.844 3 2 0 -6.19159241249514 971425 C1CN(CCC1CC2=CC=CC=C2)C(=S)C3=CC=C(C=C3)[N+](=O)[O-] 1 5.219 2 2 -1.71264464108898 971421 C1CN(CCC12OCCO2)C(=S)NC3=C(C(=CC=C3)Cl)Cl 1 4.441 2 2 -11.4252863152176 971420 CC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.037 2 4 -8.89910318520492 971419 C1CN(CCC1CC2=CC=CC=C2)C(=S)C3=CC(=CC=C3)O 1 5.083 1 1 1.58307472632146 971409 CCC1=CC(=O)N2C(=N1)C(=C(N2)C)C3=CC=C(C=C3)OC 1 1.814 3 2 0 -4.61539794241741 971407 COC1=C(C=C(C=C1)NC(=S)NCCC2=CCCCC2)OC 1 4.806 2 2 -16.2616920610604 971406 CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3S2(=O)=O 1 3.084 1 3 -1.36457905678884 971404 CCN1C=C(C=N1)/C=C(/C#N)\S(=O)(=O)C2=CC=CC=C2 1 1.982 3 2 0 -10.8678357907153 971390 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)N(C)C)C 1 1.824 3 3 0 -17.1775587423582 971388 CC(C)(C(=O)NNC(=S)NC1=CC=CC(=C1)C(F)(F)F)O 1 2.676 3 2 -2.66917020510118 971380 COC1=CC(=C(C=C1)OC)NC(=O)NCCC2=CC(=CC=C2)Cl 1 3.482 2 3 -7.13378467566973 971379 CCCN1C(=NNC1=S)C2=CC=C(C=C2)F 1 3.18 3 0 -2.42782253078852 971374 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCC3=CN=CC=C3 1 3.461 3 2 -15.0340990879585 971373 CC1=C(C=CC(=C1)Br)NC(=O)NC2=CC=C(C=C2)C(=O)C 1 3.497 2 2 -9.43620366713816 971370 CC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CC=C(C=C2)F 1 4.362 2 1 -10.1764467312184 971367 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)NC2=NOC=C2 1 2.458 3 2 -5.60244257272872 971364 CCSC1=CC=CC=C1C(=O)NC2=CN=CC=C2 1 2.354 2 1 -9.492486699908 971362 CSC1=CC=CC=C1NC(=O)CCC2=CC=CC=C2 1 3.647 1 1 -13.0517790093191 971361 CCOC(=O)NC(=S)NC1=CC=C(C=C1)OC 1 3.077 2 3 -8.47300001448057 971355 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC=C2SC 1 2.826 1 4 -8.42851263195292 971353 CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)N3CCCC3)C 1 2.844 3 1 0.302747852787353 971348 COC1=C(C=C(C=C1)CNC(=O)NC2=CC=CC=C2C(=O)OC)OC 1 2.352 2 5 0 -17.273752250113 971346 CC1=C(C(=CC=C1)N2C(=NNC2=S)C3=CC=NC=C3)C 1 3.5 4 0 -6.32082737105457e-002 971345 CCOC(=O)C1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3S2(=O)=O 1 2.346 1 5 -7.79782882744517 971337 C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)NCC3=CC=CC=C3Cl 1 4.846 1 2 -8.01972109886258 971336 CC1=C(C=CC(=C1)OC)NC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 5.778 2 1 -2.84367066054542 971330 COC1=C(C=C(C=C1)NC(=S)NCC2=CC=CC=N2)OC 1 3.127 3 2 -14.442853783093 971328 C1=COC(=C1)CNC(=S)NC2=CC=C(C=C2)C(=O)N 1 2.279 3 2 -14.0025417723309 971322 C1COCCN1C(=O)NC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 1.875 2 4 0 -6.13316715827726 971320 CN1C(=NNC1=S)CC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.731 4 1 -7.97034133198363 971317 CC(=O)NC(=S)NC1=CC(=CC=C1)[N+](=O)[O-] 1 1.996 3 3 0 -9.07755912076645 971302 C1=CC=C(C=C1)CNC(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.851 3 4 0 -15.7275611547822 971295 COC1=CC(=C(C=C1)NC(=S)N2CCCC2)OC 1 3.476 2 2 -13.273440813191 971293 CCSC1=CC=CC=C1C(=O)NCC2=CC=CO2 1 2.694 1 2 -14.45908532846 971291 CC1=CC(=C(C=C1)NC2=NN=C(S2)C3=CC=NC=C3)Br 1 3.225 4 0 1.84662010602331 971285 COC1=C(C=C(C=C1)NC(=O)NCC2=CC=CC=N2)OC 1 1.561 3 3 0 -12.0279197631177 971284 C1=CC=C(C(=C1)CNS(=O)(=O)C2=CC=CS2)Cl 1 2.775 1 2 -6.7136300872099 971283 C1CCN(C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 0.518 3 3 0 -5.17933747309074 971277 CCOC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C)F 1 3.547 2 2 -4.11200626971783 971274 CC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CS2 1 2.009 2 2 -10.0096574124601 971262 COC(=O)C1=CC=CC=C1NC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.153 2 5 0 -14.4228983963309 971253 CN1CCN(CC1)NC(=O)NC2=C(C=CC(=C2)Cl)OC 1 1.265 4 2 0 -2.30909033622443 971248 C1COCCN1C(=S)NC2=CC(=C(C=C2)F)Cl 1 3.605 2 1 -10.2895701332622 971243 CN(C)C1=CC=CC(=C1)C(=O)NNC(=S)NC2CCCC2 1 2.984 4 1 -12.4783978066362 971240 COC1=C(C=CC(=C1)SC)C(=O)NC2=CC3=C(C=C2)OCO3 1 2.908 1 4 -5.20352019766115 971239 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=NC=C(C=C3)Cl 1 2.55 4 1 -0.603226666859466 971237 COC1=CC(=C(C=C1)NC(=S)NCCC2=CC=CC=C2OC)OC 1 4.367 2 3 -15.2495536366606 971230 CCOC1=CC=CC=C1NC(=O)NCC2=CN=CC=C2 1 1.711 3 2 0 -12.5655353689355 971228 CCSC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2 1 3.833 1 1 -12.4665147689801 971219 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CC=NC=C4 1 2.196 2 2 -1.07189074539953 971212 CCN1C=CC(=N1)CNC(=O)NC2=CC=C(C=C2)C(=O)OCC 1 1.947 4 3 0 -12.8958380394049 971208 CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 4.535 4 1 -8.29718806379255 971203 CC1=NN=C(S1)SCC(=O)NC2=CC(=CC=C2)SC 1 2.284 3 1 -14.1280761701913 971201 COC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=CN=CC=C2)OC 1 1.386 2 4 0 -11.0345256194503 971199 CCCN1CCC(CC1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC 1 3.699 3 2 -10.0094870817066 971198 COC1=C(C=C(C=C1)CCNC(=S)NCC2=CC=CS2)OC 1 3.853 2 2 -14.6990069826384 971197 CCN1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)OC)Cl)OC 1 1.884 2 4 0 -14.509340283981 971190 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C4=CN=CS4 1 3.806 3 0 -4.97723551927891 971185 CCN1C(=C(C=N1)NC(=S)NCCC2=CC=CC=C2)C(=O)N 1 2.709 5 1 -12.2990215383428 971177 CCOC1=CC=C(C=C1)CC(=O)NNC(=O)NC2CCCCC2 1 2.428 3 3 -11.7675105743964 971169 CC1=CN=C(S1)NC(=O)CSC2=NN=C(S2)C 1 0.885 4 1 0 -17.3745853681607 971168 C1COCCN1C(=S)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.63 3 3 -14.6555028220713 971167 C1OC2=C(O1)C=C(C=C2)NC(=O)NCC3=CC=CC=N3 1 1.362 3 3 0 -9.65437057934669 971160 CCN1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)C 1 3.094 3 1 -14.0572774595845 971142 CC(=O)NC1=CC(=CC=C1)NC(=S)NC2=CC=CC3=CC=CC=C32 1 4.395 3 1 -9.05476754215101 971126 CSC1=CC=CC=C1NC(=S)NCC2=CC=C(C=C2)Cl 1 5.302 2 0 -9.71432979214713 971121 COC1=CC=CC=C1CNC(=S)NCC2=CC=C(C=C2)Cl 1 4.472 2 1 -6.87627944439542 971115 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 3.619 2 3 -4.5671100210746 971097 CS(=O)(=O)N1CCN(CC1)C(=S)NCC2=CC=C(C=C2)F 1 1.99 3 2 0 -21.9407900627389 971096 CN1C=CC(=N1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.654 4 1 0.784826243906946 971095 C1=CC(=CN=C1)NC(=O)NC2=C(C=C(C=C2)Br)Cl 1 2.785 3 1 -1.72274388826508 971088 COC1=C(C=C(C=C1)Cl)NC(=S)NCC2=CC=CC=N2 1 3.808 3 1 -8.48948458254169 971083 CCN1C(=C(C(=N1)C)NC(=O)NC2=C(C(=CC=C2)Cl)Cl)C 1 3.278 4 1 -6.13237640462419 971081 CC(=O)N1C(=NC(=N1)C2=CN=CC=C2)N 1 -0.156 5 1 0 -0.936747815515209 971080 CCN1CCN(CC1)C(=S)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.248 4 2 -11.9368259008778 971077 CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC(=C(C=C2)OC)OC 1 3.175 3 4 0 -13.895121479633 971075 CC(C)N1C(=NNC1=S)C2=CC=NC=C2 1 1.677 4 0 0 -3.92598796714805 971074 COC1=C(C=C(C=C1)Cl)NC(=O)NN2C=NN=C2 1 0.789 5 2 0 -5.8328554021382 971068 CCOC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)Br)C 1 4.089 2 2 -9.80266136463267 971065 CC1=C(C=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OC)OC)Cl 1 5.484 2 2 -8.37156585255355 971056 CC(C)NC(=S)N1CCN(CC1)S(=O)(=O)C 1 0.927 3 2 0 -25.797802124416 971055 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCCCC3 1 2.252 3 2 -8.98880322180685 971042 CCOC(=O)C1=C(N(N=C1N)C(=O)C(C)(C)C)C2=CC=CC=C2 1 3.616 3 3 -5.19247100561914 971041 CN(C1=CC=CC=C1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C 1 1.626 3 5 0 -12.4370935446065 971040 COCC(=O)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC 1 1.455 2 4 0 -10.9041346911519 971039 CC1=CN(N=C1)C(=O)NC2=CC=CC=C2C(=O)OC 1 2.178 3 3 -7.99330712286638 971034 CC1=CC(=C(C=C1)OC)NC(=O)NC2=NC=C(C=C2)Br 1 3.129 3 2 -8.34820178337311 971029 CCCN1CCN(CC1)C(=S)NC2=CC=CC=C2C(F)(F)F 1 4.82 3 0 -7.88466540111655 971026 CCOC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2)C(=O)C 1 2.595 2 3 -10.2965457581154 971019 COC1=CC(=C(C=C1)NC(=O)NCC2=CC=NC=C2)OC 1 1.346 3 3 0 -10.7129690005232 971017 CC(C)CNC(=S)NC1=CC=C(C=C1)N(C)C(=O)C 1 3.03 3 1 -12.4301320203882 971016 COC1=CC=CC=C1CCNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 2.729 3 4 0 -12.5611580067302 971012 CCC1=NN=C(S1)NC(=O)CC2=CC=C(C=C2)Br 1 2.799 3 1 -12.4164941786003 971009 COC1=CC(=C(C=C1)NC(=O)NC2=CC=CC=C2SC)OC 1 3.031 2 3 -13.2608620296619 971006 C1CCN(C1)C(=O)OC2=C(C=C(C3=CC=CC=C32)Cl)Cl 1 4.497 1 2 -1.64768699470083 971004 CC1=NC(=NC2=C1CCCC2)SCC3=CC=CC(=C3)C(=O)O 1 4.13 2 2 -8.79117967918112 970996 CC1=C(C=CO1)C(=O)NNC(=S)NC2=CC=CC=C2C(F)(F)F 1 3.465 3 2 -6.19595281230899 970987 C1=CC=NC(=C1)CNC(=O)NC2=C(C=C(C=C2)F)F 1 2.005 3 1 -7.51497220085609 970986 COC1=C(C=C(C=C1)Cl)NC(=S)N(CC=C)CC=C 1 4.929 2 1 -12.4970127924304 970978 COC(=O)CC1=CSC(=N1)NC2=CC=CC=C2Cl 1 2.723 2 2 -1.733905644582 970969 CCC(CC)(C#C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N 1 4.039 3 2 -14.4354752357756 970968 CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=NC3=CC=CC=C32 1 1.79 4 2 0 -21.4606966885255 970967 COC1=C(C=C(C=C1)Cl)NC(=S)NN2CCOCC2 1 2.49 3 2 -6.2600782455957 970962 COC1=C(C=C(C=C1)NC(=O)N2CCCC2)OC 1 1.58 2 3 0 -10.3782342014774 970961 CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=N2)C)C 1 4.728 3 2 -9.27705238542066 970960 COC1=C(C=CC(=C1C(=O)NC(=O)N2CCOCC2)Cl)Cl 1 2.024 2 4 -6.03467402728256 970958 COC1=C(C=C(C=C1)Cl)NC(=S)NC2=NC=C(C=C2)Cl 1 4.595 3 1 -3.61411876513356 970953 CC1=CN(N=C1)C(=S)NCC2=CC=CO2 1 2.605 3 1 -5.30429571282994 970952 CCOC1=CC=CC=C1NC(=S)NC2=C(C=CC=N2)C 1 4.573 3 1 -6.34858362857587 970947 CCN1CCN(CC1)C(=O)CN2C3=CC=CC4=C3C(=CC=C4)C2=O 1 1.47 3 2 0 -5.06442859160522 970944 CC1=CN(N=C1)C(=S)NCC2=CC=C(C=C2)Cl 1 4.087 3 0 -1.32881034770058 970938 CC1=C(C=CC(=C1C)S(=O)(=O)N2CCCC2)OC 1 2.363 1 3 -8.71384485262335 970935 CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CN=CC=C3)N 1 1.697 5 2 0 -3.2672791951408 970934 CN(C)CCNC(=O)NC1=C(C=C(C=C1)F)F 1 1.495 3 1 0 -4.90745467162572 970930 CC1=C(C(=CC=C1)NC(=S)NNC(=S)NC2CCCCC2)C 1 5.653 4 0 -4.66038299536772 970926 C1=CC=C(C=C1)CCC(=O)NC2=C(C=CC=C2F)F 1 3.516 1 1 -7.41227776255273 970921 CNC(=S)NC1=CC=C(C=C1)OCC2=CC=CC=C2 1 4.079 2 1 -7.94548815790785 970919 CCS(=O)(=O)N1C(=NC(=N1)C2=CC=CC=C2)NCC3=CC=CO3 1 1.982 4 3 0 -5.99052561962414 970916 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CN=CC=C3 1 1.14 3 3 0 -5.96434384034295 970906 CC1=NC2=C(C=CC=C2OC(=O)N3CCCC3)C=C1 1 2.729 2 2 -5.18862730349539 970902 C1CN(CC2=CC=CC=C21)C(=S)NC3=C(C=C(C=C3)F)F 1 5.117 2 0 -10.0086011225047 970901 COC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C)OC 1 0.127 3 5 0 -22.2249367032271 970899 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC(=C(C=C2)OC)OC 1 2.368 3 6 0 -12.5352541008764 970898 COC1=CC(=C(C=C1)NC(=O)NC2=CN=CC=C2)OC 1 1.339 3 3 0 -8.46864455736104 970896 C1OC2=C(O1)C=C(C=C2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3 1 1.767 1 5 0 -10.1016191860073 970893 C1=COC(=C1)CNC(=S)NC2=NC=C(C=C2)Cl 1 2.858 3 1 -6.54101360074651 970875 COC1=C(C=CC(=C1C(=O)NC(=S)N2CCOCC2)Cl)Cl 1 3.447 2 3 -12.0622653183544 970872 CCCC(=O)N1C(=NC(=N1)C2=CN=CC=C2)N 1 0.967 5 1 0 -4.7190768716627 970871 CC1=C(C=CC=C1NS(=O)(=O)C2=CC=CS2)C(=O)OC 1 2.445 1 4 -7.43726879549572 970870 CC1=C(C=C(C=C1)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])F 1 3.109 3 3 -2.78077191614875 970866 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCCCCC2 1 2.729 2 3 -9.82499087516962 970863 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O 1 2.766 1 4 -10.3766586433667 970862 COC(=O)C1=CC=CC=C1NC(=O)NCC2=CN=CC=C2 1 1.234 3 3 0 -15.3479280860398 970861 C1COC2=C(O1)C=CC(=C2)NC(=S)NCC3=CC=CO3 1 3.063 2 3 -13.4633388339852 970858 CC1=CC(=C(C=C1)OC)NC(=S)NN2CCN(CC2)C 1 2.581 4 1 -4.16335324680686 970857 C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(F)(F)F 1 3.046 1 2 1.41498058907365 970855 CC(=O)C1=CC=C(C=C1)NC(=S)N2CCCCCC2 1 4.161 2 1 -15.2076579310024 970851 CS(=O)(=O)N1CCN(CC1)C(=S)NCC2=CC=C(C=C2)Cl 1 2.449 3 2 -20.8306683976173 970850 CCC1=CC=C(S1)C(=O)NNC(=O)NC2=CC=C(C=C2)OCC 1 2.878 3 3 -7.43140840624397 970844 C1CCC(=CC1)CCNC(=S)NC2=CC=C(C=C2)Cl 1 5.504 2 0 -9.10957462144066 970843 CN(C1=CC=CC=C1C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C 1 2.019 2 3 -16.6664916656162 970835 C1C(=O)N(CC(=O)N1C2=CC=CC=C2Cl)C3=CC=CC=C3Cl 1 3.013 2 2 -3.5139785714725 970829 COC(=O)C1=C(C=CC(=C1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-])Cl 1 3.063 2 5 0 -13.2956394975411 970826 CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=NC=CC=N3 1 3.269 5 1 -7.70849866251026 970822 C1=COC(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)O 1 3.186 3 3 -3.46120398611083 970820 CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC(=C(C=C2)OC)OC 1 4.073 2 3 -12.4100045548638 970819 COC1=CC(=C(C=C1)NC(=O)NC2=CC=NC=C2)OC 1 1.339 3 3 0 -8.2891907625555 970818 CC1=CC(=NC(=C1)NC(=S)NC2=CC(=C(C=C2)OC)OC)C 1 4.491 3 2 -9.45136330484937 970816 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C(F)(F)F 1 2.912 3 2 -2.13130111172 970803 CN1CCC(CC1)NC(=S)NC2CC2 1 1.258 3 0 0 -3.21954811651036 970798 CC1=CC(=C(C=C1)OC)NC(=O)NCC2=CC=CC=C2F 1 3.205 2 2 -9.45350067513563 970792 CN1C=CC(=N1)NC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 3.04 4 1 -2.87570561020373 970785 CN(C1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)F)F)S(=O)(=O)C 1 2.142 2 3 -9.44784039475863 970777 CC1=C(C(=CC=C1)C)NC(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C 1 1.231 5 3 0 -16.868859831834 970774 C1CCCC(CC1)NC(=S)NCC2=CC=C(C=C2)F 1 4.761 2 0 -8.11586453670459 970768 COC1=CC(=C(C=C1)OC)NC(=O)NCC2=CC=C(C=C2)F 1 2.702 2 3 -7.56971964561497 970763 C1CC1C(=O)NC(=S)NC2=CC=CC=C2Br 1 3.608 2 1 -8.79944098668651 970760 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C 1 1.007 3 5 0 -12.9855202539322 970757 CC1=CC(=NC(=C1)NC(=S)NC2=C(C=C(C=C2)F)F)C 1 4.935 3 0 -2.80673707818955 970756 C1=CC=C(C(=C1)C(=O)N)NC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 2.853 3 2 -6.5042102556896 970755 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC3 1 1.06 3 2 0 -9.11411398203748 970707 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCC3=CC=CC=N3 1 3.676 3 2 -14.715963280997 970713 C1=CC=C(C(=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)N)Cl 1 2.173 5 1 -1.66066609262166 970741 COC1=C(C=C(C=C1)CC2=NC(=S)NN2)Br 1 2.662 3 1 -4.16844559907441 970736 CC1=CC(=C(C=C1)OC(F)F)NC(=S)NC 1 3.803 2 1 -6.62455419392157 970734 COC1=C(C=C(C=C1)NC(=O)N2CCC3(CC2)OCCO3)OC 1 1.184 2 5 0 -13.0117230294307 970728 CC1=CC(=NC(=C1)NC(=S)NC2=C(C(=CC=C2)Cl)Cl)C 1 5.852 3 0 -3.06400179038005 970721 COC1=CC(=C(C=C1)OC)NC(=S)NNC(=O)OC 1 2.22 3 4 0 -8.57522540876607 970716 CC1=CC(=C(C=C1)OC)NC(=O)NNC(=O)C2=C(OC=C2)C 1 1.498 3 4 0 -9.11276694538762 970698 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)NCC2=CN=CC=C2 1 2.321 3 1 -9.1020555390649 970687 CN(C)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC 1 2.668 3 2 -5.21469855712311 970686 C1CC2=C(C1)C=C(C=C2)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 3.474 3 3 -8.13834277244917 970684 CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 5.219 1 1 -4.90692432939684 970682 COC1=C(C=C(C=C1)NC(=S)NN2CCOCC2)OC 1 1.809 3 3 0 -12.213447446147 970680 CC(=O)NC1=CC=C(C=C1)OC(=O)N2CCCC2 1 1.38 2 3 0 -7.39123978250059 970677 COC1=CC(=CC(=C1OC)OC)C2=C(NN=C2)N 1 1.121 3 3 0 -3.35598510732283 970666 CC1=C(C=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)OC 1 3.198 2 2 -4.64670521601728 970663 CCSC1=CC=CC=C1C(=O)N2CCCC2 1 2.595 1 1 -10.2181488111324 970657 CCC(=O)N1C(=NC(=N1)C2=CC=CC=C2)NCC3=CC=CC=C3 1 3.328 4 1 -4.07669169735366 970649 COC1=CC(=C(C=C1)NC(=O)N2CCCCCC2)OC 1 2.492 2 3 -9.74561676821211 970646 CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3CC3)C 1 4.054 2 1 -2.89340108550831 970640 CCN(CC)C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(=O)C 1 3.122 3 2 -9.93666629692764 970639 CC(=O)C1=CC(=CC=C1)NC(=O)NCCC2=CC=C(C=C2)Cl 1 3.255 2 2 -6.38090705905906 970638 CC1=CC=C(C=C1)CNC(=S)NC2=C(C=CC(=C2)C)OC(F)F 1 5.873 2 1 -7.07062993802671 970632 CNC(=S)NNC(=O)C1=CC(=CC=C1)N(C)C 1 1.581 4 1 0 -12.5022996108013 970626 C1=CC(=C(C(=C1)Cl)Cl)NC(=S)NCC2=CC=CS2 1 5.164 2 0 -8.93622264809948 970623 CCOC(=O)CC1=NN2C(=CC(=NC2=N1)C)C 1 1.146 4 2 0 -13.0571767929236 970622 CC1=CC=C(C=C1)CNC(=S)NC2=CC(=C(C=C2)C)[N+](=O)[O-] 1 4.962 3 2 -10.2669793266389 970621 COC1=C(C=C(C=C1)NC(=O)NCC2=CN=CC=C2)OC 1 1.346 3 3 0 -12.3460555700793 970617 CC1=CC=C(C=C1)CNC(=S)NC2=C(C=C(C=C2)OC(F)F)C 1 5.873 2 1 -8.02368661388222 970616 CN(CC(=O)N1CCOCC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 0.808 2 4 0 -12.3162391828501 970607 CC1=CC(=C(C=C1)OC)NC(=O)NCC2=CC=CO2 1 2.181 2 3 -10.1700096002956 970603 COC1=C(C=C(C=C1)NC(=S)N2CCCC2)OC 1 3.476 2 2 -15.5953868098018 970599 C1=CC=C(C=C1)OCC(=O)N2C(=NC(=N2)C3=CN=CC=C3)N 1 1.344 5 2 0 -2.14754750588487 970598 COC1=C(C=C(C=C1)Cl)NC(=S)NCC2=CC=CS2 1 4.483 2 1 -9.13298283127106 970585 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NCC3=CC=CO3 1 4.739 3 1 -6.62389828386394 970584 CCN1C=C(C=N1)CNC(=S)NC2=C(C(=CC=C2)Cl)C 1 4.245 4 0 -8.36556502284749 970583 C1=CC=C2C(=C1)C=CC=C2NC(=S)NCC3=CC=CS3 1 4.744 2 0 -9.8255354249514 970582 COC1=C(C=C(C=C1)NC(=O)NN2CCOCC2)OC 1 0.315 3 4 0 -10.2425531634027 970579 C1=CC(=CC(=C1)F)NC(=S)NC2=CN=CC=C2 1 3.421 3 0 -2.69593962750683 970578 C1CCCC(CCC1)NC(=O)NC2=CC=CC=C2C(F)(F)F 1 4.659 2 1 -8.49808804594788 970568 COC1=CC(=C(C=C1)NC(=S)NNC(=O)C2=CC=CO2)OC 1 2.636 3 4 0 -9.9115464703332 970561 COC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CCOCC3 1 0.442 5 3 0 -7.98847992754803 970559 COC(=O)C1=CC=CC=C1NC(=O)NC2=NC=CN=C2 1 0.616 4 3 0 -11.613264084845 970558 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CN=CC=C3 1 0.826 4 2 0 -12.0447543444208 970557 C1=CC=C(C(=C1)C(=O)N)NC(=O)NC2=CC(=C(C=C2)F)Cl 1 2.395 3 2 -4.76134225977122 970542 CCOC(=O)C1=C(C2=NON=C2N=C1C3=CC=C(C=C3)OC)N 1 1.832 4 4 0 -3.93513441557742 970535 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CC=C(C=C2)OC(F)(F)F 1 4.537 3 4 0 -1.77564722083415 970533 C1=CC(=CC=C1NC(=S)NC2=CC(=C(C=C2)F)F)S(=O)(=O)N 1 3.483 3 2 -8.66218049154643 970530 CC1=CC(=C(C(=C1OC)C)C)S(=O)(=O)NCC2=CC=CC=N2 1 2.831 2 3 -4.4568810938373 970527 CC1=CC(=NN1C)CNC(=O)NC2=CC3=C(C=C2)OCO3 1 1.308 4 3 0 -13.8300215974682 970521 C1=CC(=CN=C1)CNC(=O)NC2=C(C=C(C=C2)Br)Cl 1 2.792 3 1 -5.9659532810605 970520 C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NNC(=O)C2=CN=CC=C2 1 3.066 4 1 -8.17206393405056 970517 CC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC=C(C=C2)F 1 2.475 2 2 -7.49585292596847 970515 COC1=C(C=C(C=C1)Cl)NC(=O)NCC2=CN=CC=C2 1 2.027 3 2 -8.52436503392613 970506 C1OC2=C(O1)C=C(C=C2)NC(=O)NCC3=CC=CS3 1 2.037 2 3 -10.2978688280761 970505 CC1=CC=C(C=C1)CNC(=S)NCC2=CC=NC=C2 1 3.16 3 0 -4.93971865266984 970504 C1CN(CCN1C2=CC=CC=N2)C(=S)NCC3=CC=CO3 1 2.976 4 1 -9.84158429920365 970502 CC1=CC(=C(C=C1Cl)S(=O)(=O)NCC2=CC=CC=N2)OC 1 2.523 2 3 -4.04223023408581 970500 C1CCN(C1)C(=O)OC2=CC=CC3=C2N=CC=C3 1 2.446 2 2 -7.00884933932443 970499 CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NCC2=CC=C(C=C2)F 1 4.681 3 2 -7.59146012794807 970496 CCOC1=CC=C(C=C1)C2=C(NN=C2)N 1 1.502 3 1 0 0.329330347633145 970494 CC1=C(N=CC=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.339 3 1 1.63100924868885 970490 CCOC1=CC=CC=C1NC(=O)N2CCC3(CC2)OCCO3 1 1.549 2 4 0 -11.7809242742516 970485 CCSC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC 1 3.488 1 2 -8.95200337321868 970482 CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C 1 2.525 3 3 -23.3591517538604 970478 CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NCC3=CC=CO3 1 3.92 3 2 -12.0626076193775 970475 CN1CCN(CC1)NC(=S)NC2=CC(=C(C=C2)OC)OC 1 2.079 4 2 -8.1016751551219 970474 CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC=CC=C2OC 1 2.717 2 4 -11.3716354207691 970473 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.512 2 5 0 -11.072927661311 970468 COC1=CC(=C(C=C1)C(=O)CCC(=O)NC2=CN=CC=C2)OC 1 1.386 2 4 0 -8.24825315348237 970465 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl 1 3.455 3 1 1.44536330965871 970459 CC1=NN(C(=C1C2=CC=C(C=C2)OC)N)C3=CC=CC=C3 1 3.219 3 1 1.52224038238963 970457 CC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCCC3 1 1.61 3 3 0 -14.2910920643159 970456 CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C(=C2)OC)OC)OC 1 2.213 2 5 0 -10.1428581615335 970437 CC1CCN(CC1)C(=S)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.731 2 2 -8.40384349320839 970434 COC1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OC 1 2.384 3 5 0 -7.89340717819007 970423 CC1=CC(=CC=C1)NC(=S)NNC(=O)CC2=CC=CC=C2 1 3.795 3 1 -6.54967589347489 970422 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCC2 1 2.055 1 3 -9.99956769105721 970419 COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 1.164 3 4 0 -15.608422307046 970414 CC(C)N1CCC(CC1)NC(=O)NC2=C(C=C(C=C2)OC)OC 1 1.75 3 3 0 -12.7879156789889 970410 C1COCCN1NC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 3.171 3 1 -5.26324000390066 970404 CC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CO2 1 1.451 2 3 0 -9.31489224482549 970394 CCOC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)OCO3 1 2.623 2 4 -10.5847571737313 970393 CCCN1CCC(CC1)NC(=O)NC2=CC=CC=C2C(=O)OC 1 1.785 3 3 0 -12.2557786012003 970389 CC1=C(C(=CC=C1)NC(=S)NNC(=O)C2=C(C=C(C=C2)O)O)C 1 3.762 3 3 0.488847215654325 970385 CCC1=CC=CC(=C1NS(=O)(=O)C2=CC=CS2)C 1 3.532 1 2 -4.74656246659462 970383 CC1=C(C=CO1)C(=O)NNC(=S)NC2=CC(=C(C=C2)OC)OC 1 2.49 3 4 0 -11.6690257342463 970375 CC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)N 1 1.994 5 1 0 0.123642536804768 970373 CC1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)OC)Br 1 3.741 2 2 -2.51349829842305 970360 COC1=C(C=C(C=C1)NC(=S)NN2C=NN=C2)OC 1 1.603 5 2 0 -11.5392446106965 970354 CN(CC(=O)N1CCCC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.582 2 3 0 -10.3934742189064 970344 CC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CC=C(C=C2)Cl 1 4.821 2 1 -9.06632506609678 970335 C1=CC=C(C(=C1)CNC(=S)NC2=CC=CC(=C2)C(F)(F)F)F 1 5.243 2 0 -4.35531449295772 970324 C1CCC(CC1)CC(=O)C2=C(OC3=CC=CC=C3C2=O)O 1 3.889 0 4 -2.42263097521697 970323 C1=COC(=C1)CNC(=S)NNC(=O)CC2=CC=CS2 1 2.173 3 2 -14.9830835250417 970322 CCSC1=CC=CC=C1C(=O)NC2=NOC(=C2)C 1 2.644 2 2 -17.6968748363706 970318 CCSC1=CC=CC=C1C(=O)NCC2=CN=CC=C2 1 2.361 2 1 -14.8284880543268 970312 CCSC1=CC=CC=C1C(=O)NC2=NN=CS2 1 1.979 3 1 0 -12.9640512668843 970298 COC(=O)C1=C(C=CS1)NC(=S)NCC2=CC=C(C=C2)Cl 1 4.569 2 2 -9.64730770495238 970297 CCN1C(=C(C=N1)NC(=S)NC2=CC(=C(C=C2)OC)OC)C(=O)N 1 2.626 5 3 0 -14.138713842219 970293 COC1=C(C=C(C=C1)CCNC(=O)NC2=CC3=C(C=C2)OCO3)OC 1 2.586 2 5 0 -13.1394302335215 970292 CCOC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)N(C)C(=O)C 1 2.181 3 3 -6.95632531237931 970291 CC1=CC=C(C=C1)CSCC(=O)NC2=CC=C(C=C2)C(=O)OC 1 3.356 1 3 -11.98526912343 970289 CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2 1 3.014 2 3 -13.183602396358 970280 CN1CCC(CC1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 1.999 3 1 0 1.45667765546627 970276 CC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=CO2 1 3.017 2 2 -12.6030650900695 970268 COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)OC 1 2.361 2 4 -5.46981609497309 970267 CN(C1=CC=CC(=C1)NS(=O)(=O)C2=CC=CS2)S(=O)(=O)C 1 1.221 2 4 0 -5.1405103014681 970264 C1=CC(=C(C=C1NC(=O)NC2=CC=NC=C2)Cl)F 1 2.242 3 1 -0.929857588825218 970263 CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)OC)OC 1 2.694 2 5 0 -11.9301327428786 970260 C1CN(CCC1NC(=S)NC2=CC=C(C=C2)F)CC3=CC=CC=C3 1 4.412 3 0 -2.42334711407333 970259 C1=CC(=CN=C1)CNC(=O)NC2=C(C=C(C=C2)F)F 1 1.79 3 1 0 -7.83310800781763 970257 COC(=O)C1=C(C=CS1)NC(=S)NC2=C(C=C(C=C2)F)F 1 4.586 2 2 -7.35093888547727 970243 CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NC2=CN=CC=C2 1 2.391 2 2 -7.06843703061657 970242 CNC(=S)NNC(=O)CC1=CC=C(C=C1)O 1 1.212 3 2 0 -8.20103461261786 970236 C1=CC(=CN=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)F 1 1.624 2 2 0 -5.33608305948865 970235 CC1=C(C=CO1)C(=O)NNC(=S)NCC2=CC=C(C=C2)Cl 1 2.917 3 2 -6.93555434107564 970231 COC1=CC=CC(=C1)NC(=S)NC2=CN=CC=C2 1 3.199 3 1 -4.54320610759376 970227 CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CCCCC2 1 5.044 2 2 -16.2272190458533 970218 C1COCCN1C2=NC(=NC(=N2)OC3=CC=CC=C3)N4CCOCC4 1 1.528 5 3 0 -0.987320913432257 970217 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CO3 1 2.379 3 3 -16.7493949039237 970215 CC1=C(N=CC=C1)NC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 5.57 3 0 -1.3105750518715 970214 C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=CC4=CC=CC=C43 1 3.708 5 0 -6.38600396395432 970213 CC1=CC2=C(C=C1)N(CCC2)C(=O)NC3=CC4=C(C=C3)OCO4 1 3.513 2 3 -9.3737427750541 970208 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NCC2=CC=NC=C2 1 1.273 4 3 0 -7.07307160585817 970204 CC1=C(C(=NN1C)C)NC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 2.543 4 1 1.7230260280783 970201 CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCOCC2 1 1.06 2 4 0 -19.7641024632871 970189 CC(C)N1C(=NNC1=S)C2=CC=C(C=C2)C(C)(C)C 1 4.228 3 0 -0.690660392594387 970182 CCN(C1=CC=CC(=C1)C)C(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O 1 3.669 1 4 -9.76016998824011 970173 CC(C)(C(=O)NNC(=S)NC1=CC(=CC(=C1)OC)OC)O 1 1.701 3 4 0 -10.2435282824066 970159 COC1=CC=C(C=C1)C(=S)NC2CCCCC2 1 3.973 1 1 -2.57991145956332 970153 CCOC1=CC(=C(C=C1C)C)S(=O)(=O)N2CCCC2 1 2.712 1 3 -10.3364651647488 970152 C1CCCN(CC1)C(=O)NC2=CC=CC=C2C(F)(F)F 1 3.467 2 1 -6.03842413059578 970143 C1=CSC(=C1)CC(=O)NNC(=S)NCC2=CC=C(C=C2)Cl 1 3.655 3 1 -10.9102039333876 970142 C1=CC=NC(=C1)CNC(=S)NCC2=CC=C(C=C2)Cl 1 3.553 3 0 -6.55380899763313 970134 COC1=C(C=C(C=C1)NC(=O)NN2C=NN=C2)OC 1 0.108 5 3 0 -9.65454593829135 970129 COC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2SC)OC 1 3.031 2 3 -14.2661277426579 970121 C1=COC(=C1)CNC(=S)NNC(=O)C2=CC=C(S2)Cl 1 2.597 3 2 -7.28605344198054 970117 CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CN=CC=C3 1 0.819 4 2 0 -7.09385784249052 970102 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NCC2=CC=C(C=C2)F 1 2.629 3 3 -5.83719012961689 970101 CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NCCC3=CCCCC3 1 1.009 5 3 0 -24.0095918934339 970098 C1CCN(C1)C(=O)COC2=CC=C(C=C2)C(=S)N3CCOCC3 1 2.065 2 3 -11.3906227236722 970096 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=C(C=CC=C2F)F 1 2.695 1 4 -2.90957011568187 970094 COC1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CN=CC=C3)N 1 1.527 5 2 0 -1.49132995731804 970093 CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NC=C(C=C2)Cl 1 4.151 3 2 -7.54370068733411 970087 CCCN1CCN(CC1)C(=S)NCC2=CC=C(C=C2)Cl 1 4.271 3 0 -6.8909330584958 970084 COC(=O)C1=CC=CC=C1NC(=O)NC2=NC=C(C=C2)Cl 1 2.431 3 3 -8.96946556160134 970083 CC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC=NC=C3 1 2.997 4 1 -4.46046234177092 970082 CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)C 1 4.786 2 2 -13.0196987969229 970080 COC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)F 1 4.013 2 1 -4.39833081018299 970077 C1CCN(C1)C(=S)NC2=CC3=C(C=C2)OCO3 1 3.277 2 2 -13.2218376260307 970076 CC(=O)N1C(=NC(=N1)C2=CC=CC=C2)NCC3=CC=C(C=C3)F 1 2.866 4 1 -1.30221999937234 970070 C1CN(CCN1CC2=CC=CO2)C(=S)NC3=CC4=C(C=C3)OCO4 1 3.538 3 3 -11.0910566998406 970060 CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=N2)S(=O)(=O)C 1 0.803 3 3 0 -16.066702269252 970043 COC1=C(C=C(C=C1)NC(=O)NCC2=CC=CO2)OC 1 1.678 2 4 0 -11.9766528442125 970042 CC(=O)C1=CC(=CC=C1)NC(=O)NC2=C(SC=C2)C(=O)OC 1 2.071 2 4 -10.5667120042825 970036 COC1=C(C=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2)OC 1 2.777 2 3 -14.0913142368339 970030 C1=CC(=CC(=C1)NC(=O)NNC(=O)C2=CC=NC=C2)C(F)(F)F 1 1.571 4 2 0 -1.74545617798455 970027 C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=NOC=C2 1 2.844 3 2 -4.82799188441836 970026 CC(=O)C1=CC(=CC=C1)NC(=O)N2CCCCCC2 1 2.265 2 2 -7.97354788973366 970025 CC1=NN(C(=C1C2=CC=C(C=C2)OC)N)CC3=CC=CC=C3 1 3.225 3 1 -2.5734129543123 970018 C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NN2C=NN=C2 1 1.47 5 1 0 -5.53870099244184 970007 C1=CC(=CN=C1)C(=O)N2C(=NC(=N2)C3=CC=CO3)N 1 0.904 5 2 0 1.31208801841589 970006 CC1=CC=C(S1)C(=O)NNC(=S)NC2=CC=CC3=CC=CC=C32 1 4.281 3 1 -6.73060769196198 970003 CC(C)CNC1=NC(=NC(=N1)N2CCOCC2)OC3=NNC(=O)C=C3 1 0.912 7 3 0 -13.3551238794006 969997 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)NC3=CN=CC=C3 1 2.937 2 2 -2.98245790948099 969995 C1COCCN1NC(=S)NC2=CC=CC3=CC=CC=C32 1 2.75 3 1 -6.85523661275126 969994 CC1=NC2=NON=C2C(=C1C(=O)OC)N 1 -0.164 4 3 0 -9.17616348850973 969989 COC(=O)C1=C(C=CS1)NC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 3.66 2 3 -7.83895779127167 969986 COC1=CC(=C(C=C1)NC(=O)NC2=CC3=C(CCC3)C=C2)OC 1 3.547 2 3 -11.6259018507471 969985 C1CCC(CC1)NC(=S)NNC(=O)C2=CC=C(S2)Cl 1 3.69 3 1 -5.6002838392493 969982 C1=CC=NC(=C1)C(=O)NNC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 3.88 4 1 -5.74151006089502 969979 C1C(=O)N(CC(=O)N1C2=CC=CC=C2F)C3=CC=CC=C3F 1 2.095 2 2 -3.78551516096791 969975 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NC2=C(C=CC(=C2)Cl)OC 1 3.551 3 4 0 -5.42893172119722 969968 CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC=NC=C2 1 1.583 3 3 0 -9.43945877997015 969966 CCOC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C)OC 1 3.325 2 3 -6.80760520443831 969963 C1CCN(C1)C(=O)N2C3=CC=CC=C3N=C2CC4=CC=CC=C4 1 3.958 3 1 -1.18465961949184 969962 C1CN(CCN1C2=CC=CC=N2)C(=S)NCC3=CC=C(C=C3)Cl 1 4.459 4 0 -5.76870470754951 969955 COC1=CC(=CC(=C1OC)OC)C(=S)N2CCCC2 1 3.079 1 3 -7.0249690190307 969953 C1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CN=CC=C3)N 1 1.211 5 2 0 -4.26068306090174 969950 CSC1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2 1 2.859 1 2 -7.8214253470824 969944 CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3CCCCCC3 1 0.996 5 3 0 -18.1256082084974 969943 CC1=CC=CC=C1N2C(=NNC2=S)C3=CC=NC=C3 1 3.014 4 0 -3.91627763806065 969933 CC(C)NC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 4.798 2 1 -8.91495130294043 969928 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=S)NCC3=CC=CO3 1 3.967 3 1 -5.92591285964774 969913 CC1=C(C=CC(=C1)OC(F)F)NC(=O)NC2=CC3=C(C=C2)OCO3 1 3.582 2 4 -8.33147799992292 969905 COC1=C(C=C(C=C1)Cl)C(=O)NNC(=S)NC2CCCC2 1 3.469 3 2 -8.59231167290996 969900 CC1=C(C(=NN1CC2=CC=CC=C2)C)NS(=O)(=O)C3=CC=CC=C3 1 2.979 3 2 -6.97787225951734 969889 CN1C(=NNC1=S)CNC(=O)CC2=CC=C(C=C2)OC 1 1.18 4 2 0 -13.0628214007757 969888 C1=CC(=C(C(=C1)Cl)Cl)NC(=S)NN2C=NN=C2 1 2.964 5 0 -5.29172100044879 969886 C1=CC(=CC=C1CNC(=S)NC2=CC=NC=C2)Cl 1 3.609 3 0 -5.50327309636574 969883 CC1=C(C=CC(=C1)OC(F)F)NC(=S)NCCC2=CC=CC=C2 1 5.708 2 1 -9.1863444920094 969875 C1=CC=C(C(=C1)C(=O)O)NCC2=CC=C(C=C2)C(=O)O 1 2.481 1 4 -2.90753426864688 969866 CN(C)C1=NC(=NC(=N1)N2CCCCC2)N(C)C 1 1.052 6 0 0 -1.1632654580794 969861 CCOC1=CC=C(C=C1)N2C=CC=C2C=O 1 3.089 1 2 1.78830869390437 969847 CC1=CC2=C(N1C3=CC=C(C=C3)Br)CC(CC2=O)(C)C 1 4.449 1 1 -6.39297416435939 969842 C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=CC=C3Cl 1 4.349 3 0 -0.566294811217332 969832 CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)CC(=O)N2CCCCC2)C 1 2.588 2 3 -8.45690087201451 969825 COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CO3)N)OC 1 2.021 4 4 0 -0.868431994946398 969809 CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3CCCCC3 1 3.679 3 2 -10.399435959196 969805 CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C 1 2.148 3 3 -7.46378572551845 969798 C1CN(CC=C1C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.567 2 1 -4.49223999513936 969796 CC1=CN=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O 1 1.649 3 3 0 -15.2573033106704 969776 CC1=CC(=NO1)NC(=O)CSC2=NNC(=N2)CC(C)C 1 2.063 5 2 0 -16.7936571476046 969762 C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=CC4=NSN=C43 1 2.22 3 4 0 -5.18824469246979 969761 CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)N3CCC(CC3)C(=O)N 1 0.155 5 2 0 -11.5822368904673 969752 C1=CC=C(C=C1)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3N 1 2.647 5 1 -14.1956546414275 969751 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3 1 3.416 2 2 -4.94934730350206 969749 CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3OC2=O)C 1 3.154 2 3 -4.95004506757246 969735 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NOC=C3 1 2.098 3 4 0 -19.4003737952714 969724 CCC1=NC(=NN1)SCC(=O)NC2=CC=CC=C2C 1 2.703 4 1 -11.6518470827619 969719 CCNC1=NC(=NC(=N1)N)OC2=CC=C(C=C2)C(=O)OC 1 1.862 5 3 0 -6.11827571065322 969710 COC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CC=CO3)N 1 2.038 4 3 0 0.213172162963212 969707 C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=C(C=C3)Cl 1 4.872 2 0 2.44608045172927 969702 C1CN(CCN1C(=S)C2=CC=CC=C2)C(=S)NC3=CC=CC=C3 1 5.353 3 0 -10.971604194971 969698 CC1=CC(=NC=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O 1 1.649 3 3 0 -10.7998797210367 969696 CN(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.376 4 1 -3.65226809428239 969695 CC1=C(C2=C(N1C)C=CC(=C2)OCC3=CC=CC=C3)C=O 1 3.801 1 2 1.32629179809984 969691 CC1=CC(=C(C=C1C)S(=O)(=O)N2C(=NC3=CC=CC=C32)C)OC 1 3.919 2 3 -0.728594603051219 969685 CC1=CC=C(N1NC(=O)C2=CC=CC=C2[N+](=O)[O-])C 1 2.148 3 3 -9.52388561852603 969684 CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3)C 1 3.799 2 1 -3.80906560731014 969683 CN(CC(=O)NC1CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 0.463 2 5 0 -19.3931735219533 969682 C1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CC=C3)N 1 2.694 4 1 0.539170818464213 969681 C1=COC(=C1)C2=NN(C(=N2)N)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 1.948 5 4 0 1.40950037250189 969673 CC1=CC=C(N1NC(=O)C2=CC(=C(C=C2)OC)OC)C 1 2.221 2 3 -10.3403582877676 969672 CCC(=O)C1=CC=C(C=C1)OC(=O)N(C)C2=CC=CC=C2 1 3.782 1 3 -8.06335175225189 969641 CN(CC(=O)N1CCCC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC 1 0.64 2 5 0 -16.84104536884 969640 C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)SCC(=O)N 1 1.177 4 3 0 -5.01728100016083 969637 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O 1 2.053 1 4 -12.7445280436443 969636 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCCC2 1 1.975 2 3 0 -17.5203916903662 969631 CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)NC3CCCCCC3 1 2.79 4 1 -12.2211023497639 969629 C1OC2=C(O1)C=C(C=C2)OCC3=NNC(=S)N3C4=CC=CC=C4 1 3.282 3 3 -7.22538839667287 969623 CC1=CC=C(C=C1)NC(=O)C2(CCCC2)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.45 2 3 -8.4645216835559 969610 CN(C)C(=O)CSC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.833 2 2 -1.23664263253423 969605 C1=COC(=C1)C(=O)CCNC2=CC=C(C=C2)F 1 2.743 1 2 -2.16138408182185 969597 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC4=C3N=CC=C4 1 1.961 3 3 0 -16.0096248324432 969593 COC1=CC=CC(=C1)NC(=O)C2=CSC3=C2CCCC3 1 3.643 1 2 -5.28045756917349 969581 CC1=CSC(=N1)CCC2=NC(=CS2)C 1 1.707 2 0 0 -2.49437035868154 969575 C1CCN(CC1)CC(=O)NC2=CC(=CC=C2)Br 1 2.622 2 1 -3.13711211182368 969572 CN(C)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O 1 0.896 2 4 0 -2.08735934945371 969571 C1CCCC(CC1)NC(=O)CSC2=NN=C(S2)N 1 2.015 4 1 -16.4903710180138 969570 CC1=C(C(=CC=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 1 3.548 2 2 -13.2421176760511 969569 CCC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)OCC)C 1 2.529 2 3 -13.4535397633086 969565 COC1=CC=C(C=C1)C2=NN(C(=N2)N)C(=O)C3=CC=CS3 1 2.596 4 2 -3.34543708603799e-002 969555 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N(C)C)C 1 1.338 3 3 0 -20.6067701633207 969553 CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)N(C)C)C(C)(C)CC 1 4.792 1 2 -2.64304036663002 969552 C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NN=C(S3)N 1 2.805 3 1 -4.94454657302648 969539 CCOC(=O)C1=C(N=CN1)C(=O)NC2=CC(=CC=C2)Cl 1 2.09 3 3 -7.31648498899157 969536 CC1=CC=CC=C1C(=O)NC2=C(NC(=O)NC2=O)C 1 0.477 3 3 0 -19.2372157615531 969484 CN1C2=CC=CC=C2N=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 1 4.788 4 0 -1.50755990487951 969477 C1CN2C(=O)C3=C(N=C2SC1)OC4=C(C=C(C=C4C3=O)Br)Br 1 3.814 2 3 -8.24791569162587 969472 CN1CCN(CC1)C(=O)O[C@H]2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl 1 1.386 6 3 0 -1.19687858909125 969465 COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)[C@@H]4CCCO4)N)OC 1 0.76 5 4 0 -13.0163751185557 969464 C1=CC=C2C(=C1)C(=CC(=O)N2)C[C@H](C(=O)O)NC(=O)C3=CC=C(C=C3)Cl 1 2.606 2 4 -16.6847299808866 969463 C[C@@H]1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F 1 -0.909 3 4 0 -6.2128511394668 969428 C1C2=CC=CC=C2CN1C3=CC=C(C=C3)C=O 1 3.088 1 1 -2.43243740635102 969404 CC1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)NC(=O)N3)C 1 2.449 3 2 -13.9390984798653 969395 CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)C 1 3.601 4 2 -18.1901936467607 969393 CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OCCO3)C 1 4.524 2 3 -13.5279055608365 969256 CC1=CC(=CC=C1)N2C(=NNC2=S)CC3=CC=CC=C3 1 4.199 3 0 -4.32652545886815 969221 CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.117 3 1 -3.54214398902892 969207 C1COCCN1C2=CC=CC=C2NC(=O)C3=CN=CC=C3 1 1.314 3 2 0 -8.56960035058553 969172 COC1=CC=C(C=C1)C(=O)NC(=S)NC2CCCCC2 1 3.753 2 2 -10.3357922925425 969169 CC(=O)C1=CC=C(C=C1)OC(=O)CCC2=CC=CC=C2 1 3.492 0 3 -9.27366204180791 969147 C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 3.389 3 3 -13.6023326505004 969146 C1CCC(CC1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 3.664 3 3 -13.4455544780192 969145 CC1=C(C=CC(=C1)OCC(=O)NN2C(=O)C3=CC=CC=C3C2=O)Cl 1 2.681 2 4 -4.98224994581191 969141 COC1=CC=CC=C1/C=C/C(=O)NNC(=O)C2=CC=CS2 1 2.276 2 3 -8.19981466266398 969139 CC1=C(C(=CC=C1)C)OCC(=O)N2C(=CC(=N2)C)C 1 3.164 2 2 -10.5438162321379 969138 CC1=CC(=C(C=C1)OCC(=O)NN2C(=O)C3=CC=CC=C3C2=O)C 1 2.503 2 4 -4.85207707797336 969127 CC1=C(C(=CC=C1)C)OCC(=O)NNC(=O)C2=C(OC=C2)C 1 1.928 2 4 0 -11.1025442408507 969126 CC1=CC(=CC(=C1)OCC(=O)NNC(=O)C2=NNC(=C2)C)C 1 1.697 4 3 0 -10.7755648406561 969080 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCO4 1 2.232 2 4 -8.78628397243066 969077 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC=C3C#N 1 2.261 2 3 -8.78960405670298 969076 CCC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.17 2 4 -9.46539524196919 969075 COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)Cl 1 3.03 1 4 -7.31653081061193 969068 C1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3 1 3.529 2 2 -5.96795455448146 969065 CCN1N=C(N=N1)NC(=O)C2=CC3=CC=CC=C3O2 1 2.134 5 2 0 -2.22174499161574 969057 CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C3=NN=C(O3)C)[N+](=O)[O-])C 1 3.816 3 4 0 -1.88704217493938 969029 CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2 1 3.354 3 2 -8.98056453478861 969022 COC1=CC=CC=C1/C=C/C(=O)NC(=S)N2CCOCC2 1 2.586 2 3 -11.6688524320225 969021 CC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3 1 3.714 1 4 -8.11403879092643 969017 CC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3 1 3.005 1 4 -8.32064122803427 969015 C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3 1 2.519 1 4 -8.88573249954687 969014 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)C4=CC=CO4 1 2.38 5 2 0 -10.3531197474835 969013 CCCC(=O)NC1=CC2=C(C=C1)OC(=O)C=C2 1 2.143 1 3 -13.1502821243333 968997 CC1=C(C=CC(=C1)Cl)OCC(=O)OC2=CC=CC=C2C(=O)C 1 3.987 0 4 -4.46548341377571 968985 C1CCC(CC1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] 1 4.122 3 3 -6.98498092195434 968980 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)O)Cl 1 4.188 2 2 -6.32796391942877 968975 CC(=O)C1=CC=C(C=C1)OC(=O)COC2=CC=CC=C2Cl 1 3.501 0 4 -9.0157525950792 968971 CC(=O)C1=CC=C(C=C1)OC(=O)CC2=CC=CC3=CC=CC=C32 1 3.945 0 3 -6.27074982936344 968929 C1=CC=C2C(=C1)C(=O)N(C(=O)N2)N 1 7.2e-002 3 2 0 -6.2702339188344 968913 C1=CC=C(C=C1)N2C3=CC=CC=C3C(=CC2=O)Cl 1 3.403 1 1 0.16177338745705 968864 CC1=C(C=CC=C1Cl)NCC(=O)NN=C(C)C2CC2 1 2.558 3 1 -8.63329361682158 968850 CC1=C(C=CC=C1Cl)NCC(=O)NN=C2CCCC2 1 2.763 3 1 -8.52211385327575 968849 C1CC2=CC=CC=C2C(=NNC(=O)CNC3=CC=CC=C3Cl)C1 1 3.77 3 1 -10.4233326746345 968836 CCOC1=CC=C(C=C1)N2C(=O)CN(C2=S)CC(=O)OC 1 2.291 2 4 -10.7834616768065 968823 CCC1=CC=C(C=C1)N2C(=O)CN(C2=S)CC(=O)OC 1 2.901 2 3 -9.91475340036851 968654 C1=CC=C2C(=C1)C(=C(S2)C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-])Cl 1 3.915 3 4 0 0.890050978955227 968625 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 2.192 2 3 -18.8247347626287 967914 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2 1 2.474 1 5 -11.3756797759058 967912 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC 1 2.642 1 5 -5.81073063896323 967894 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC(=CC=C2)Cl 1 3.451 1 3 0.601717221621613 967893 CC1=CC(=C(C=C1)OC)S(=O)(=O)NCCC2=CCCCC2 1 3.538 1 3 -8.19831636187779 967889 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2CCCC2 1 2.612 1 3 -7.97966500100012 967888 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC=C2 1 2.787 1 3 -2.14375461926768 967887 CC1=CC(=C(C=C1)OC)S(=O)(=O)NCCC2=CC=CC=C2 1 3.115 1 3 -5.52567896292361 967885 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C)OC 1 3.273 1 3 -1.22196467645739 967793 CC1=CC(=CC(=C1)NC(=O)CN2C(=CC(=C(C2=O)C#N)COC)C)C 1 1.607 3 3 0 -10.7182483253138 967792 CC1=C(C(=CC=C1)C)NC(=O)CN2C(=CC(=C(C2=O)C#N)COC)C 1 1.607 3 3 0 -12.4735774907464 967787 CC1=CC(=CC=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl 1 2.612 2 3 -2.38503865741776 967731 CC1=C(C(=CC=C1)C)N(CC2=CC=CC=C2F)S(=O)(=O)C 1 3.708 1 2 -4.30410455835463 967770 CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC 1 3.488 1 2 -10.4271448237941 967760 COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2NS(=O)(=O)C 1 1.509 2 4 0 -9.90506816237707 967758 CCC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)SC 1 3.801 1 2 -1.36840374475459 967742 CC1=NC(=NC2=C1CCC2)SCC3=CC=CC=C3 1 4.044 2 0 -5.71857451539574 967740 CSC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2 1 2.866 1 2 -0.377586474081962 967722 C1CCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.192 2 3 -7.75883567000571 967709 CN(C1=CC=C(C=C1)C(=O)N)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.509 2 4 0 -10.3654951029353 967705 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2CCCC2 1 1.351 2 3 0 -9.96630811149059 967699 COC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SC 1 3.011 1 3 -15.6710659337439 967693 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3 1 2.678 2 3 -6.86282603076955 967677 C1=CC(=CC(=C1)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl)C(=O)O 1 4.09 2 3 -6.57343543129399 967669 CN(C)S(=O)(=O)N(CC(=O)NC1=CC=CC=C1)C2=CC=CC=C2 1 1.174 3 3 0 -11.9692187042963 967645 CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)Cl)S(=O)(=O)C 1 3.681 1 2 -3.58391579313193 967624 CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C 1 2.834 2 3 -14.5542920969643 967616 CN(C)C(=O)CN(C1=C(C=CC(=C1)[N+](=O)[O-])OC)S(=O)(=O)C 1 9.e-002 3 6 0 -13.202036355928 967615 C1=CC(=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)F 1 2.269 5 1 -5.19911554293197 967610 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SC)C 1 4.128 1 1 -9.49587027758203 967608 C1=CC(=CC=C1CSC2=NN=C(O2)C3=CC=C(C=C3)Cl)C(=O)O 1 4.09 2 3 -6.27882950487375 967602 COC(=O)CN(C1=CC=C(C=C1)OCC2=CC=CC=C2)S(=O)(=O)C 1 2.221 1 5 -12.451801727569 967593 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N)C 1 2.778 2 3 -9.91360366588234 967576 COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 1.381 2 5 0 -14.968159216478 967574 CSC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 1.949 1 2 0 -10.4627091257009 967572 CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NS(=O)(=O)C 1 1.858 2 4 0 -10.930602482248 967565 CN(C)C(=O)CN(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C 1 -2.e-002 2 5 0 -11.4290913324621 967559 CC(=O)C1=CC(=CC=C1)N(CC(=O)OC)S(=O)(=O)C 1 0.394 1 5 0 -15.3842801806774 967552 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2 1 1.853 2 3 0 -10.9266661875116 967537 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)OC)S(=O)(=O)C 1 0.532 2 7 0 -14.6232635619878 967387 COC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)F 1 2.436 1 4 -11.7670485892065 967375 CS(=O)(=O)N(CC(=O)N)C1=CC(=C(C=C1)F)Cl 1 0.67 2 3 0 -7.50693755272787 967344 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)SC 1 3.072 1 2 -1.35119844863814 967339 CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N)C 1 2.292 2 3 -8.1668237602331 967329 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC=N2 1 1.954 3 3 0 -13.0138681305567 967326 COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)SC)OC 1 2.826 1 4 -3.925599723953 967324 C1=CC=C(C(=C1)C(=O)O)OCC(=O)N 1 0.297 1 4 0 -6.88303927300436 967323 COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)O)S(=O)(=O)C 1 0.306 2 7 0 -13.5364954048548 967316 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)C(C)C)C 1 3.388 1 3 -4.22992085342791 967309 CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2SC 1 3.642 1 1 -7.45770413613757 967305 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CN=CC=C3)[N+](=O)[O-] 1 1.195 4 5 0 -10.5708030797914 967287 CNC(=O)CN(C1=C(C=CC(=C1)[N+](=O)[O-])OC)S(=O)(=O)C 1 -0.116 3 6 0 -16.2208810523174 967281 CC1=CC=C(C=C1)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)N(C)C 1 1.66 3 3 0 -11.5195331038747 967277 CC(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C 1 2.72 2 3 -7.5052710010525 967271 CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)C 1 3.584 1 4 -6.2360830455475 967267 CC1=NC(=NC=C1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.547 3 3 -10.2749324878085 967265 COC(=O)CN(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C 1 0.422 1 6 0 -13.0190913874313 967259 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)SC 1 3.191 1 3 -3.77492099892357e-002 967204 CC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2SC)C 1 4.128 1 1 -9.63671946177199 967187 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 3.528 1 2 1.52664954144601 967186 CN(C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2OC)S(=O)(=O)C 1 1.715 2 4 0 -10.3710409275812 967177 C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)F 1 5.044 1 2 -1.21205699661815 967098 COC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2)Cl 1 3.042 2 3 -6.51404670895303 967095 C1CN(CCN1C2=CC=CC=C2F)C(=O)CC3=CC=CC=C3 1 3.113 2 1 -3.9297869499916 967063 CS(=O)(=O)NC1=CC=CC=C1C(=O)N2CCOCC2 1 -0.158 2 4 0 -13.3566665191375 967057 CC(C)C(C(C)C)NC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O 1 2.037 2 4 -6.88200650841973 966912 C1=CC=C(C=C1)NC(=O)NC2=C(C=CC=C2F)F 1 2.933 2 1 -2.03369981395971 966909 CSC1=CC=CC=C1NC(=O)NC2=CC=CC=C2 1 3.064 2 1 -9.2610761290107 966907 CC1=CC(=CC=C1)N(CC2=CC=CC=C2F)S(=O)(=O)C 1 3.222 1 2 -4.93145132636701 966900 CSC1=CC=CC=C1C(=O)NCC2=CC=CC=C2 1 3.163 1 1 -13.6410394598892 966890 CSC1=CC=CC=C1C(=O)NC2CCCCC2 1 3.438 1 1 -11.7430949127308 966884 COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC=C2SC 1 3.123 1 3 -11.8189560936786 966872 COC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)SC 1 2.826 1 4 -1.3899825224993 966864 CSC1=CC=CC=C1C(=O)N2CCOCC2 1 1.473 1 2 0 -12.5905209057805 966846 CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)N 1 0.566 2 3 0 -16.0557375948584 966843 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2CCCCC2 1 1.807 2 3 0 -10.3207766256587 966835 CS(=O)(=O)N(CC(=O)N1CCOCC1)C2=CC3=C(C=C2)OCO3 1 -0.332 2 6 0 -15.9589973382137 966833 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NS(=O)(=O)C 1 1.381 2 5 0 -12.8365898867679 966831 CS(=O)(=O)N(CC(=O)N)C1=CC2=C(C=C1)OCO2 1 -0.432 2 5 0 -9.61550535475233 966828 CC1=C(C=CC(=C1)N(CC(=O)O)S(=O)(=O)C)Br 1 1.663 1 4 0 -10.3475565660277 966810 C1CN(CCN1CNC(=O)C2=CC=CC=C2)C3=CC=CC=C3F 1 2.994 3 1 -2.07853356235652 966752 COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)OC 1 2.992 1 3 -8.75507021130195 966675 CC(C)(C)C1=CC=C(C=C1)C(=O)NN=C2CCCC2 1 3.352 2 1 -5.58104048693679 966568 CC1=CC(=NC(=N1)NC(=O)C2=CC=CC=C2OC)C 1 1.905 3 2 0 -8.83564077577487 966575 CC1=CC=C(C=C1)OCC(=O)OC2=CC=C(C=C2)OC 1 3.567 0 4 -5.4954953702727 966574 COC1=C(C=C(C=C1)/C=C/C(=O)N2CCOCC2)OC 1 1.366 1 4 0 -10.6407993657892 966011 CC1=CC=CC(=C1)C(=O)NC2CCCCCCC2 1 4.295 1 1 -6.23645434409402 965866 C1=CC=C(C(=C1)C=O)N2C=CC=N2 1 1.815 2 1 0 0.50569270939054 965863 CC(=NNC(=O)C1CC1)C2=CC=C(C=C2)OC 1 1.741 2 2 0 -8.53912194004399 965857 COC1=CC=CC(=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4CC4 1 3.447 2 3 -11.5908361925381 965856 CC1=CC(=C(C=C1)C)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4CC4 1 4.435 2 2 -13.2158228352519 965854 C1CCC(C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4CC4 1 3.289 2 2 -14.5534399867445 965850 C1CC1C(=O)C2=CN(C3=CC=CC=C32)CC(=O)NCC4=CC=CC=C4 1 3.47 2 2 -18.8093354873434 965838 C1CC1C(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4 1 4.41 1 1 -8.09870100382559 965836 CC1=CC=C(O1)C2C(=C(NC(=C2C(=O)N)C)C)C(=O)N 1 -0.505 3 3 0 -15.7266907438919 965835 COC1=C(C(=CC=C1)OC)C(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2 1 4.091 1 3 -6.58850253189127 965834 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3 1 4.244 1 3 -3.96450986791407 965832 C1=CC=C2C(=C1)C(=CN2CC(=O)N)C(=O)C3=CC=CS3 1 2.54 2 2 -8.54804653365322 965831 CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)C(=O)C3CC3 1 2.79 2 2 -14.8968920794194 965808 CC1=C(C2=CC=CC=C2N1CC(=O)NCC3=CC=CC=C3)C=O 1 2.877 2 2 -12.063092866088 965799 CC1=C(C(=CC=C1)C)NC(=O)CN2C=C(C3=CC=CC=C32)C=O 1 3.697 2 2 -8.37020387537774 965785 CC1=C(C=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3)C 1 3.492 1 4 -8.72324837696541 965782 COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC4=C(C=C3)OC(=O)C=C4 1 3.576 1 4 -7.80113798730679 965780 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CC=C3F 1 3.899 2 1 -6.50621758016171 965765 CC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3 1 3.005 1 4 -7.44549360266091 965764 CC1=C(C(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3)C 1 3.492 1 4 -6.60746913507174 965763 CC1=C(C=CC(=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3)Cl 1 3.67 1 4 -7.56598959940894 965762 CCN1N=C(N=N1)NC(=O)CC2=CC=C(C=C2)Cl 1 2.239 5 1 -6.05453459270207 965740 CCN1N=C(N=N1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.069 5 1 -11.5420291872609 965737 C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC4=C(C=C3)OC(=O)C=C4 1 3.592 1 3 -5.51326010415806 965734 CC1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3)C 1 3.492 1 4 -7.43581673157039 965730 CC(C)C1=CC=CC=C1OCC(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 2.725 2 4 -7.02338492343462 965678 CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 3.378 2 2 -3.9327366038578 965573 C1=CC=C(C=C1)SCC(=O)NNC(=O)C2=CC=NC=C2 1 1.114 3 2 0 -9.26735059540201 965557 C1=CC=C(C(=C1)/C=C/C(=O)NNC(=O)C2=CC=NC=C2)Cl 1 1.853 3 2 0 -4.39207855206825 965461 CC1=CC(=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2)C 1 3.709 1 2 -8.15925848121619 965337 CNC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)F 1 0.635 4 2 0 -9.978855566776 965339 CC1=CC=CC=C1NC(=O)C2=C(NC=N2)C(=O)NCC3=CC=CC=C3 1 2.499 4 2 -14.3772805268881 965340 CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC3=CC=CC=C3 1 2.499 4 2 -9.94423322185654 965341 CC1=CC=C(C=C1)NC(=O)C2=C(NC=N2)C(=O)NCC3=CC=CC=C3 1 2.499 4 2 -11.7344845486609 965351 C1=CC=C2C(=C1)C3=C(C=CC=C3C(=O)N)C(=O)O2 1 1.952 1 3 0 -4.42925208026487 965364 CC(=O)NC1=CC2=C(C=C1)N(C=N2)C 1 0.671 3 1 0 -3.97667300375609 965336 CNC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)Cl 1 1.094 4 2 0 -8.86873390165443 965334 CC1=CC=CC=C1NC(=O)C2=C(NC=N2)C(=O)NC 1 0.916 4 2 0 -13.1651155734561 965333 CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NC 1 0.916 4 2 0 -8.80308703891212 965272 CN(C)CCNS(=O)(=O)C1=CC=C(C=C1)Cl 1 1.544 2 2 0 -2.07894784550699 965265 C1=CC(=C(C=C1Cl)Br)OCC(=O)NC2=CC=NC=C2 1 2.712 2 2 -1.45745690856721 965236 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=NC=NN3 1 1.527 4 2 0 -4.73765286878758 965234 CCNC(=O)COC1=C(C=C(C=C1)Br)Cl 1 2.635 1 2 -5.157814192441 965190 CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3OC 1 4.873 1 2 -6.32484885911244 965166 CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC 1 4.873 1 2 -4.62643853968327 965016 CC1=CC=C(C=C1)NCC2=C3C=CC=NC3=C(C=C2)O 1 3.652 2 1 4.50945833658269 964964 CC(C)C1=CC=C(C=C1)CNN2C=NN=C2 1 1.685 4 0 0 -0.886291970210366 964664 CCOC(=O)C1=NN(C(=O)C(=C1C)C#N)C2=CC=C(C=C2)Cl 1 2.856 3 3 -5.06598843078653 964722 CNCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC 1 2.918 1 2 -5.54908084295322 964708 CC1=NC2=C(C=CC=C2OCC3=CC=C(C=C3)Br)C=C1 1 4.614 1 1 -1.40746925518874 964647 C1=CC=C2C(=C1)C3=NC=NC4=CC=CC(=C43)C2=O 1 2.909 2 1 5.01953286117538 964635 C1COCCN1S(=O)(=O)C2=CC=CC3=CC=CC=C32 1 1.543 1 3 0 -11.5388428014157 964618 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=CC=CC=C32 1 2.346 2 3 -6.11353387299515 964526 C1=CC=C(C(=C1)CNC2=NNN=N2)OCC3=CC=C(C=C3)F 1 2.892 5 1 -1.60105679166762 964347 CCOC1=C(C=CC(=C1)CNC2=NNN=N2)OCC(=O)NC(C)(C)C 1 1.427 6 3 0 -18.1692934369491 964127 CS(=O)(=O)N(CC(=O)NCC1=CN=CC=C1)C2CCCCC2 1 0.721 3 3 0 -16.9236709194758 964126 CS(=O)(=O)N(CC(=O)NCC1=CC=NC=C1)C2CCCCC2 1 0.721 3 3 0 -14.9247859698425 964121 CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1F)C2CCCCC2 1 2.07 2 3 -11.8370270069659 963966 C1CN(CCC1C(=O)N)C(=S)C2=CC=CS2 1 2.095 2 1 -6.49275329391924 963907 CC1=C(C2=CC=CC=C2N1)/C=C(\C#N)/S(=O)(=O)C3=CC=CC=C3 1 3.422 2 2 -7.29365398240207 963844 CSC1=CC=CC(=C1)NC(=O)/C=C/C2=CC=CO2 1 3.019 1 2 -2.30697887861829 963773 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)NCC2=CC=NC=C2 1 0.767 3 3 0 -16.8982060730518 963777 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)NCC2=CC=CO2 1 1.1 2 4 0 -18.4899099698465 963778 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)NCC2=CN=CC=C2 1 0.767 3 3 0 -18.9944852492098 963779 CS(=O)(=O)N(CC(=O)NCC1=CC=CC=C1)C2CCCCC2 1 1.872 2 3 0 -15.2155964238461 963786 CS(=O)(=O)N(CC(=O)NC1CCCC1)C2CCCCC2 1 1.69 2 3 0 -13.2025932179008 963787 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)NCC2=CC=CC=C2 1 1.918 2 3 0 -17.4820479891036 963790 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)N 1 0.128 2 3 0 -6.64679715063713 963834 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)/C=C/C3=CC=CO3 1 2.72 2 3 -1.59942830866906 963804 COC1=CC=CC(=C1)NC(=O)/C=C/C2=CC=CO2 1 2.461 1 3 -4.46571954230951 963760 COC1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC=CO2 1 2.789 1 3 -6.88497881355855 963745 COC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3 1 3.951 1 3 -1.76102432832493 963687 CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)Br)C 1 3.746 2 1 -10.205569885689 963668 COC1=C(C(=CC=C1)OC)/C=C/C(=O)NC2CCCCC2 1 3.331 1 3 -7.56686891808209 963557 CC1=NC(=NC=C1)SCC(=O)OC 1 1.103 2 2 0 -12.9003560974668 963556 CC1=NC(=NC=C1)SCC2=CC=C(C=C2)C(=O)O 1 2.61 2 2 -10.8162981892799 963520 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3)C 1 2.67 4 2 -11.2046741068919 963517 C1=CC(=CC(=C1)CSC2=NN=C(O2)C3=CC=CO3)C(=O)O 1 2.821 2 4 -9.97339357377466 963505 COC1=CC2=C(C=C1)NC(=C2CCC(=O)O)C(=O)O 1 2.149 1 5 -6.5015770801473 963502 CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3NC2=S 1 4.012 3 1 -7.21035545379956 963493 CC1=CC=CC=C1OCCN2C3=C(C(=NC=N3)N)NC2=S 1 3.561 5 1 -0.726947829693288 963431 C1COCCN1CC(=O)NC2=CC=CC=C2Cl 1 1.308 2 2 0 -6.99377058979496 963429 CC1=C(C2=CC=CC=C2N1)C(=O)CSCC(=O)O 1 1.971 1 3 0 -4.61407011531539 963415 C1=CC=C2C(=C1)N=C(S2)NC(=S)N 1 2.233 3 0 0.90435381112223 963393 CC1=C(SC(=N1)NCCC2=CC(=C(C=C2)OC)OC)C(=O)C 1 2.349 2 3 -8.45451222455094 963386 CC1=C(SC(=N1)NCC2=CC=CC=C2)C(=O)C 1 2.06 2 1 -4.68150071711091 963375 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=CC=C3 1 3.966 2 2 -6.23550823118757 963287 C1CCN(C1)C2=CC=C(C=C2)C=C(C#N)C#N 1 2.638 3 0 0.906712207670679 963286 CC1=C(C=CC(=C1)N2CCCC2)C=C(C#N)C#N 1 3.125 3 0 1.49983174073553 963257 C1CCC(CC1)NC(=O)/C(=C/C2=CC=CN2C3=CC=CC=C3)/C#N 1 4.37 3 1 -10.409458739702 963243 CCC1=CC2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)O 1 3.893 2 3 -23.2178216057044 963215 CC1=CC=CC=C1NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4CC4 1 3.949 2 2 -14.1702869245615 963211 CCOC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CS3 1 3.742 1 3 -10.1458413428055 963196 CC1=CC(=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4CC4)C 1 4.435 2 2 -14.1995222485359 963193 COC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C3CC3 1 2.534 1 3 -10.4824961403194 963190 CC1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4CC4 1 3.261 2 2 -16.7980965344672 963187 CC1=CC(=CC=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4CC4 1 3.949 2 2 -9.64692982475248 963186 CC1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4CC4 1 3.949 2 2 -11.4371811515568 963181 CCOC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3 1 3.789 1 3 -8.46582912539464 963172 C1=CC=C(C=C1)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N 1 2.587 2 2 -6.86803431624237 963166 C1CCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4 1 3.46 2 2 -11.0556953763171 963163 CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)NCC3=CC=CO3)C 1 2.605 3 2 -19.364461562274 963093 CN1C(=NNC1=S)CC2=CC=CS2 1 2.09 3 0 -6.39926152069673 963092 C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC=CS3 1 3.666 3 0 -7.04288033704136 963055 C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.102 3 2 -1.8817660891285 963054 CC1=CC=C(C=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3 1 4.694 2 0 0.624081761142447 963037 CC1=C(C=C(C=C1)NC2=NN=NS2)C 1 1.929 4 0 0 -1.81764667221964 963029 CCN1CCN(CC1)C(=S)C2=CC=C(C=C2)SC 1 3.515 2 0 0.146611372854696 963027 C1CN(CCN1CCO)C(=S)C2=CC(=C(C=C2)Cl)Cl 1 3.414 2 1 0.941423225789088 962928 CC1=CC=C(C=C1)COC2=CC=CC=C2C(=S)N3CCCC3 1 5.181 1 1 -3.03984840632648 962884 COC1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)N 1 0.383 5 3 0 -13.9530828395629 962780 C1=CC=C(C=C1)N2C=CC=C2C=NN3C=NN=C3 1 2.212 5 0 2.21198713731179 962676 CC1=CC2=C(S1)N=C(NC2=O)CC3=CC=CC=C3 1 2.46 2 1 -4.42204854095252 962643 C1COCCN1C2=C3C=CC(=CC3=NC=C2)Cl 1 2.53 2 1 2.41282800793967 962641 CC1=C(SC2=C1C(=O)N=C3N2C(=CS3)CC(=O)O)C 1 1.77 2 3 0 -12.0764899178445 962629 C1CC1NC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl 1 1.571 3 1 0 -2.58614710702789 962627 C1CCN(C1)C2=C3C=CC(=CC3=NC=C2)Cl 1 3.303 2 0 4.35638264482052 962614 CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NC3=CC=NC=C3 1 3.41 2 1 -2.34729179526817 962575 CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=CC=CC=C32 1 3.431 1 2 -4.50196314115345 962573 C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC3=CC(=C(C=C3)O)C(=O)O 1 2.613 1 5 -1.30404726705908 962558 CCOC(=O)C1=C(C2=CC=CC=C2S1)OC(=O)C3=CC=C(C=C3)C 1 5.105 0 4 -4.49596395550066 962545 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=CC=CC=C32 1 3.209 1 3 -1.95090315318398 962543 C1CCN(CC1)S(=O)(=O)C2=CC=CC3=CC=CC=C32 1 2.772 1 2 -9.58066007996593 962534 CC(=O)NCCC1=NC2=CC=CC=C2N1CC3=CC=CC=C3 1 2.703 3 1 -9.99318902153757 962506 CC1=CC(=CC=C1)CN2C3=CC=CC=C3N=C2COC 1 3.618 2 1 -1.76674442034908 962498 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)O)Cl 1 3.098 1 4 -4.84214871320584 962497 CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)O 1 2.988 1 4 -12.6965718674217 962494 CCC(=O)NC1=CC=CC=C1C(=O)OCC(=O)C2=CC=CC=C2 1 2.728 1 4 -17.1188180088643 962431 CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3N=C2CO 1 3.696 2 1 1.67447445609779 962417 CC(C)(C)CC1=NC2=CC=CC=C2N1CC=C 1 4.01 2 0 -3.69406900924924 962412 CC1=CC(=C(C(=C1C)CN2C3=CC=CC=C3N=C2CO)C)C 1 4.668 2 1 1.96245197050794 962404 CC1=CC2=C(C=C1C)N(C=N2)CCOC3=CC=CC=C3 1 4.156 2 1 -2.4490754485136 962379 CC1=CC2=C(C=C1C)N(C=N2)CC(=C)C 1 3.587 2 0 -5.19027267153442 962363 CC(C)(C)NC(=O)COC1=CC=C(C=C1)CNC2=NC=NN2 1 1.026 5 2 0 -14.4732007891825 962339 CC(=C)CSCC1=NC2=CC=CC=C2N1 1 3.15 2 0 -6.51087610508426 962314 C1=CC=C2C(=C1)NC(=O)N2CC3=CC=C(C=C3)F 1 2.687 2 1 -1.98548975576711 962295 C1=CC=C2C(=C1)N=C(N2CC3=C(C=CC=C3Cl)F)CO 1 3.593 2 1 0.301078948959971 962281 CCN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)OC 1 3.843 2 1 0.199228961147836 962267 C=CCN1C2=CC=CC=C2N=C1C3=CC=CS3 1 4.046 2 0 -3.53332516174063 962255 CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3N=C2C4=CC=CO4 1 4.99 2 2 2.87547470951132 962251 C1=CC=C2C(=C1)N=C(N2CCOC3=CC=C(C=C3)Cl)C4=CC=CO4 1 5.168 2 2 3.70302483748412 962232 CCN1C2=CC=CC=C2N=C1C3=CC=CO3 1 3.22 2 1 3.22312485623886 962221 CC1=CN2C(=NC(=C(C2=O)C=O)N3CCN(CC3)C4=CC=CC=C4)C=C1 1 2.197 4 2 -7.65499891670295 962111 COC1=CC=CC=C1OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4 1 3.982 1 4 -5.72690567115157 962108 CC1=CC=C(C=C1)C(=O)COC(=O)COC2=CC=CC=C2C 1 3.748 0 4 -9.66028964631262 962099 CCC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2 1 3.056 1 3 -7.63288272045201 962082 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)Cl)Cl 1 4.566 2 1 -0.445027097858837 962079 CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OCCO3)C 1 4.524 2 3 -11.0168368258578 962042 COC1=CC=CC=C1NC(=O)CCC(=O)OCC2=CC=C(C=C2)Cl 1 3.252 1 4 -13.1794858911722 962040 C1=CC=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)Cl 1 3.269 1 3 -9.87546823062534 962014 CC(=O)C1=CC(=CC=C1)N(CC(=O)N2CCCCC2)S(=O)(=O)C 1 0.869 2 4 0 -16.7558896816842 962003 CC(=O)C1=CC(=CC=C1)N(CC(=O)N2CCCC2)S(=O)(=O)C 1 0.413 2 4 0 -16.4014211675161 962001 CC1=C(C=C(C=C1)C(=O)N)S(=O)(=O)NC2=CC=CC=C2C 1 2.292 2 3 -9.95325501398537 961999 CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)N3CCCC3 1 4.316 1 1 -5.18579362549706 961997 CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)N3CCCCC3 1 4.772 1 1 -5.54026213966514 961986 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2CCCC2 1 0.616 2 3 0 -8.73021161534704 961972 CSC1=CC=CC=C1C(=O)NC2CCCC2 1 2.982 1 1 -11.3886263985627 961970 CCN(CC)C(=O)C1=CC=CC=C1NS(=O)(=O)C 1 0.852 2 3 0 -13.5605161907342 961962 COC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2SC)OC 1 3.123 1 3 -13.7263239723455 961957 CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2 1 1.874 2 3 0 -9.91584857824394 961928 CC1=C(C(=CC(=C1)Br)C(=O)NCC2=CN=CC=C2)OC 1 2.689 2 2 -7.47719677798744 961921 CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3 1 3.67 1 4 -4.70266150923896 961919 CC1=C(C(=CC(=C1)Br)C(=O)O)OC 1 2.678 0 3 -1.85366209866481e-002 961916 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N(C)C)C)C 1 3.19 2 3 -9.62665485513429 961910 CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)SC 1 3.831 1 2 -0.534272814348068 961909 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2Cl 1 2.19 2 3 -7.8601367315122 961861 CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=C2SC 1 4.128 1 1 -10.4899273748497 961858 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC 1 3.14 1 2 -9.66092167208606 961795 CCN(CC)C(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2 1 2.429 2 3 -10.9819558942227 961791 COC1=C(C=C(C=C1)S(=O)(=O)NC2CCCC2)Cl 1 2.791 1 3 -8.74272978042196 961784 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2CCCCC2 1 1.072 2 3 0 -9.08468012951512 961769 COC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2NS(=O)(=O)C 1 1.381 2 5 0 -15.8659213808607 961752 C1=CC=C(C=C1)CCNC(=O)CSCC2=C(C=CC=C2Cl)F 1 4.213 1 1 -15.44844015717 961740 CC1=C(C=C(C=C1)N(CC2=CC=CC=C2F)S(=O)(=O)C)C 1 3.708 1 2 -5.35688573130647 961732 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C 1 2.834 2 3 -16.4419376502934 961729 COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)SC 1 2.714 1 4 -2.85096285611541 961408 CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2 1 2.648 2 2 -2.65405501090798 961305 C1COC2=C(O1)C=CC(=C2)NCC3=CC=NC=C3 1 1.857 2 2 0 -4.42144371676365 961186 CC1=CC=C(C=C1)CNC2=CC=C(C=C2)N3CCOCC3 1 3.558 2 1 -1.42293207319172 961131 CC1=C(SC(=C1C(=O)OC)N)C(=O)C 1 1.242 1 3 0 -1.785812204437 961105 CCOC(=O)C1=C(N=CN1)C(=O)NC2=CC(=CC=C2)OC 1 1.409 3 4 0 -10.0505721115184 961104 CCOC(=O)C1=C(N=CN1)C(=O)NC2=CC=CC=C2OC 1 1.409 3 4 0 -13.4357162498398 961068 CC(C)(C)C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2 1 3.288 2 2 -8.61144822129192 961046 C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 2.581 2 2 -6.01754653973546 960956 CC(C)CC(=O)NC1=CC2=NN(N=C2C=C1Cl)C3=CC=CC=C3 1 4.331 4 1 -9.53749702869236 960954 CC(C)(C)C(=O)NC1=CC2=NN(N=C2C=C1Cl)C3=CC=CC=C3 1 4.503 4 1 -11.6613954281877 960905 CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CS2 1 3.969 3 2 -16.7335644073242 960879 C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl 1 3.902 2 1 -0.716548460698633 960831 C1=CC2=C(N=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 2.505 3 3 2.46738590791184 960810 CC(C)C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)N 1 3.619 4 0 3.28262369893913 960733 CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)N)Cl 1 3.576 4 0 2.57122928508072 960719 CC1=C(C2=NSN=C2C=C1)N 1 1.697 3 0 0 2.03041265585252 960709 C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.132 3 3 -7.04516091587163 960708 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCC3 1 3.221 2 2 -3.60242811398744 960705 CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)N3CCCC3)C 1 4.045 2 2 -3.7584738135169 960704 C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F 1 3.443 2 1 -2.36492879155395 960680 CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C 1 2.782 3 4 0 -9.0672260966794 960678 C1CCN(C1)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.272 2 1 -4.56042496742363 960610 CC(=O)NC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3 1 2.653 3 1 0.793477796873445 960606 CC1=CC(=NC(=N1)NC2=NC=NN2)C 1 0.352 6 0 0 -5.26289865846588 960599 CCCC1=NN=C(S1)NC(=O)CCC(=O)O 1 0.653 3 3 0 -16.0754703747143 960592 CCCC1=NN=C(S1)NC(=O)CCCC(=O)O 1 1.109 3 3 0 -19.062373111601 960591 CC(C)C1=NN=C(S1)NC(=O)CCCC(=O)O 1 1.115 3 3 0 -18.5879012325584 960579 CC1=C(C=CC(=C1O)C(=O)CN2C(=O)C3=CC=CC=C3C2=O)O 1 2.12 1 5 0.903374982783877 960575 COC1=CC2=C(C=C1)C(=O)C(=CO2)N3C(=O)C4=CC=CC=C4C3=O 1 1.684 1 5 0 -3.85941845731251 960468 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)F 1 3.443 2 1 -3.81835179022035 960419 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.588 3 3 -8.42761859411242 960374 C1=COC(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4 1 2.31 3 3 5.93163362129871 960353 C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])Cl 1 3.796 3 3 -5.32052839363581 960351 C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=C(C=C3)F 1 3.558 2 2 -6.0914912622876 960348 CC(C)CC(=O)NC1=CC=C(C=C1)N2CCOCC2 1 2.175 2 2 -8.75786178656726 960326 CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)C)Cl 1 3.552 2 2 -2.89676933293983 960163 C1CSC(=N1)NC(=O)C2=CC=CC3=CC=CC=C32 1 3.011 2 1 -9.15516874273707 960143 C1COCCN1C2=CC=CC=C2NC(=O)CC3=CC=CC=C3 1 2.499 2 2 -8.11873116823596 960069 C1=CC(=CC=C1SCC(=O)NNC(=O)C2=CC=NC=C2)Cl 1 1.778 3 2 0 -6.52218667949908 960059 C1=CC(=C(C=C1Cl)Cl)C(=O)NNC(=O)C2=CC=NC=C2 1 2.049 3 2 -2.74627906290102 959957 COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)C2=CC=NC=C2 1 1.368 3 3 0 -5.53552613969271 959955 CC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=NC=C2)C 1 1.693 3 2 0 -5.19670826874661 959953 CC(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=NC=C2 1 1.915 3 2 0 -4.11369988410663 959863 CCCN1N=C(N=N1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 2.605 6 2 0 -9.61796957420729 959765 C1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 2.371 2 3 -7.07656607261375 959599 CCOC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)F 1 1.631 3 3 0 -9.35347722023176 959556 CC1=C(SC2=C1CN(CN2C(=O)C3=CC=CC=C3)C(C)(C)C)C 1 4.044 2 1 -8.66464620884556 959555 C1=CC=NC(=C1)SC2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.895 2 2 -0.668501410549892 959536 CC1=CC=C(C=C1)S(=O)(=O)N2CCCOC2 1 1.165 1 3 0 -11.376103864023 959530 CCOC(=O)C1=C(NC(=C1C)C(=O)NN=CC2=CC(=CC=C2)OC)C 1 2.887 3 4 0 -8.30022539879312 959527 CCOC(=O)C1=C(NC(=C1C)C(=O)NNC(=O)C2=CC=CC=C2)C 1 2.092 3 4 0 -9.53087454151748 959519 CCOC(=O)C1=C(NC(=C1C)C(=O)NN=CC2=CC=CC=C2Cl)C 1 3.568 3 3 -6.65644473518334 959487 CCOC(=O)C1=C(NC(=C1C)NC(=O)N2CCOCC2)C 1 0.894 3 4 0 -8.28929851510304 959482 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCO4 1 3.005 2 3 -6.84272933554981 959480 CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.632 2 4 -14.3344508389262 959479 CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)C 1 3.98 2 3 -3.8778561955145 959473 C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4 1 3.373 2 3 -4.47833359539196 959471 CC1=C(C=CC(=N1)NC(=O)C2=CC3=C(C=C2)OCO3)Br 1 2.802 2 3 -5.51738720956316 959455 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)C)OC)C 1 4.43 2 2 -12.17816306715 959441 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CC=CO2)C 1 3.355 2 2 -9.9804705607482 959439 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=C(C=CC=C2OC)OC)C 1 3.927 2 3 -13.1301562842694 959203 CC(C)C(=O)NC1=NC=C(S1)CC2=CC=CC=C2Cl 1 3.586 2 1 -8.32054429941375 959191 CC1=CC=CC=C1NC(=O)C2=CSC3=C2CCCC3 1 4.146 1 1 -7.69857973593186 959130 CC1=C(SC(=N1)NC(=O)C2=CC=CC3=CC=CC=C32)C(=O)C 1 2.834 2 2 -5.92638000543596 959127 CC1=C(SC(=N1)NC(=O)C2=CC3=CC=CC=C3C=C2OC)C(=O)C 1 2.817 2 3 -7.70858998288168 959117 CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-] 1 2.931 3 3 -2.25713002313654 959115 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)CCC3=O 1 0.977 3 4 0 -6.74306075115668 959101 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2F)C(=O)C 1 2.131 2 2 -9.5615952198011 959085 CC1=C(C=C(C=C1)C(=O)NC2=NC(=C(S2)C(=O)C)C)C 1 2.898 2 2 -8.23533432050505 959081 CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3CC3 1 0.74 2 3 0 -8.94746485717364 959049 CC(C)C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.918 3 3 -3.50417717434055 959048 CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)Cl 1 4.194 2 1 -0.650187728398513 959033 CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)OC 1 1.614 2 5 0 -15.2545888568931 958973 CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC=C3F)F 1 4.193 2 1 -7.09812488126902 958964 CN1C2=CC=CC=C2SC1=NC(=O)C3=CC=CO3 1 3.208 2 2 -6.57088815557935 958963 CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C#N 1 4.605 2 1 -18.2742524251224 958948 CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3=CC=CC=C3)C(=O)COC 1 2.345 2 3 -9.88691770501889 958894 CC1=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C(N1CC4=CC=CO4)C 1 3.168 1 3 -1.81753081109812 958878 COC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N)N 1 2.138 4 2 -9.8456086857197 958876 CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3=CC=CC=C3)C(=O)COC 1 2.345 2 3 -9.41789026728343 958728 C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)NN=CC4=CN=CC=C4 1 3.036 3 2 -1.12642484772479 958719 C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)NN=CC4=CC=NC=C4 1 3.036 3 2 -1.22969722139982 958717 C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)NN=CC4=CC(=CC=C4)O 1 3.944 2 3 0.962780487582085 958698 CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC 1 1.436 2 4 0 -5.45984870594894 958680 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC4=C(C=C3)OC(=O)C=C4 1 3.279 1 4 -2.9939937984935 958673 CCC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3 1 3.462 1 4 -8.63693662335715 958672 C1=CC(=CC=C1OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3)Cl 1 3.184 1 4 -6.57549979699124 958670 C1=CC(=CC=C1CC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3)Cl 1 3.383 1 3 -6.81060939522218 958669 CC1=CC(=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)C(=O)OC)Cl 1 3.689 2 3 -3.49207768269098 958663 C1=CC(=C(N=C1)Cl)C(=O)NC2=CC3=C(C=C2)OC(=O)C=C3 1 2.407 2 3 -5.88556851675247 958653 CN(C1=CC=CC=C1C(=O)NC2=CN=CC=C2)S(=O)(=O)C 1 0.581 3 3 0 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CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.81 1 4 -14.6116774396772 955417 CC(C)C(=O)C1=CN(C2=CC=CC=C21)CC(=O)O 1 2.68 1 3 -8.83058316684309 955390 CC(C)C(=O)C1=CN(C2=CC=CC=C21)CCOC3=CC=CC=C3OC 1 4.814 1 3 -10.1504868942579 955366 CC(C)C(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3C#N 1 4.661 2 1 -6.74591898029684 955365 CC(C)C(=O)C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)C#N 1 4.661 2 1 -8.27041631599409 955348 CC1=CC(=C(C=C1)C)CSCC2=NC3=CC=CC=C3N2 1 4.643 2 0 -1.46141509676425 955340 CC(C)C(=O)NCCC1=NC2=CC=CC=C2N1CC(=C)C 1 3.312 3 1 -14.8660596814801 955338 CC(C)C(=O)NCCC1=NC2=CC=CC=C2N1C 1 2.249 3 1 -8.80419515950717 955335 CC(C)C(=O)NCCC1=NC2=CC=CC=C2N1CCC3=CC=CC=C3 1 4.154 3 1 -13.0594941429985 955329 CCC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CC=CO3 1 2.561 2 3 -19.6013927593912 955324 CCC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC(=C3)C 1 3.858 2 2 -9.17133409752497 955323 CCC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=C(C=CC(=C3)C)C 1 4.345 2 2 -12.7402271080244 955322 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CCC(=O)C1=CN(C2=CC=CC=C21)CCOC3=CC=CC=C3OC 1 4.352 1 3 -11.1456871027405 955249 CCC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)C#N 1 4.198 2 1 -9.26561652447676 955247 CCC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3C#N 1 4.198 2 1 -7.74111918877951 955238 CCC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3 1 4.319 1 1 -7.62310527659808 955215 C1=CC=C(C=C1)C(=O)NCC(=O)NCC2=NC3=CC=CC=C3N2 1 1.39 4 2 0 -14.083035167785 955210 CC1=CC(=C(C(=C1)C)CN2C=NC3=CC=CC=C32)C 1 4.593 2 0 -2.29497615902349 955198 CCN1C(=NN=C1SCC(=O)N2CCC(CC2)C)C3=CC=CO3 1 2.587 4 2 -14.7459135640279 955160 C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 3.765 2 3 -9.25801962757655 955159 C1CCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4 1 2.855 2 3 -11.1804039485989 955158 C1=CC=C2C(=C1)C(=CN2CC(=O)NCC3=CC=CO3)C(=O)C4=CC=CO4 1 2.953 2 4 -17.7311720943088 955152 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)C#N)C(=O)C4=CC=CO4 1 4.591 2 2 -7.23698359233823 955150 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4 1 5.376 1 2 -2.78924575208073 955142 C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4)Cl 1 5.376 1 2 -3.98829305144254 955121 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3CCCCC3 1 3.712 4 1 -13.6308981295179 954804 C1=CC=C2C=C(C=CC2=C1)N3C=CC=C3C=O 1 3.665 1 1 5.36830150945335 954649 COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NCC2=CN=CC=C2 1 2.311 3 3 -11.8817408243948 954627 COC1=C(C(=CC=C1)OC)C(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 3.526 2 3 -2.53991277087351 954604 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=CC=C2N3CCCC3 1 3.205 2 3 -6.88671822884409 954603 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=CC=C2N3CCCCC3 1 3.661 2 3 -7.24118674301217 954601 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)N3CCCC3 1 3.205 2 3 -5.43329523017769 954600 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)N3CCCCC3 1 3.661 2 3 -5.78776374434576 954581 CC1=CC=C(C=C1)CSCC2=NC3=CC=CC=C3N2 1 4.157 2 0 -2.74791101242799 954580 CC1=CC=CC=C1CSCC2=NC3=CC=CC=C3N2 1 4.157 2 0 -4.63703627472967 954563 COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NCC2=CC=CC=C2 1 3.462 2 3 -10.1736663287651 954551 COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NCC2=CC=CO2 1 2.644 2 4 -11.5123380985281 954550 COC1=C(C(=CC=C1)OC)C(=O)NC(=S)N2CCOCC2 1 2.102 2 4 -13.73233069758 954543 CCN(CC)C(=O)COC1=CC=CC2=CC=CC=C21 1 2.685 1 2 -8.10076737956725 954521 CCCN1C(=NN=N1)NC(=O)C2=C(C=C(C=C2)C)Cl 1 2.489 5 1 -13.7867167970652 954514 CCC(=O)NC1=CC=C(C=C1)N2CCC(CC2)C 1 2.948 2 1 -4.60385667469778 954505 CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.98 2 1 -6.32329167560064 954502 CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 3.84 3 3 -8.80802762404864 954496 CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 2.795 3 1 -6.93548942321528 954494 CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)Cl 1 3.668 3 1 -2.76143720176452 954456 COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC=C3O)CCC(=O)O 1 4.248 1 4 -3.46903188408426 954451 C=CCN1C(=CC=C1C2=CC=C(C=C2)F)CCC(=O)O 1 3.752 1 2 -7.60927769872821 954445 C1C2=CC=CC=C2CN1C3=CC=CC(=C3)C(F)(F)F 1 4.271 1 0 6.96828447066193 954417 CCOC1=CC=CC=C1N2CC3=CC(=C(C=C3C2)C)C 1 4.634 1 1 -2.68570714543677 954400 C1=CC=C(C(=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)F)Cl 1 3.439 1 2 -4.73867464691672 954394 CC1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=CS2 1 3.009 1 2 -9.77494227722712 954366 C1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC(=C3)C(=O)O)CCC(=O)O 1 4.136 1 4 -5.71732477132139 954365 C1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)C(=O)O)CCC(=O)O 1 4.136 1 4 -5.07077676302356 954364 COC(=O)CN1C(=CC=C1C2=CC=CC=C2)CCC(=O)O 1 2.637 1 4 -9.89216173091747 954363 CCCN1C(=CC=C1C2=CC=CC=C2)CCC(=O)O 1 3.802 1 2 -6.61106086111441 954362 CC(C)N1C(=CC=C1C2=CC=CC=C2)CCC(=O)O 1 3.656 1 2 -5.97799010786426 954351 CC(C)CN1C(=CC=C1C2=CC=C(C=C2)OC)CCC(=O)O 1 4.105 1 3 -8.85833803588801 954346 CC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)C(=O)C)CCC(=O)O 1 4.732 1 3 -6.58548635077026 954343 CC1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC(=C3)C(=O)O)CCC(=O)O 1 4.622 1 4 -5.14541412848141 954342 CC1=CC=C(C=C1)C2=CC=C(N2C(C)C)CCC(=O)O 1 4.142 1 2 -5.50347369154906 954334 C1COCCN1CC(=O)NNC(=S)NC2=CC=CC=C2 1 1.303 4 2 0 -10.509435843734 954300 CCCN1N=C(N=N1)NC(=S)NC(=O)C(C)(C)C 1 2.624 6 1 0 -16.0068716234527 954269 CC1=CC=CC=C1NC(=O)CN2C(=O)CSC3=CC=CC=C32 1 2.506 2 2 -12.1737615405878 954263 CC(=O)COC(=O)C1=CC=CC=C1NC 1 1.076 1 3 0 -12.2964087095359 954262 CC1=CC(=C(C(=O)N1C2=CC=C(C=C2)C(C)C)C#N)C 1 3.452 2 1 -3.66915232322309 954246 CS(=O)(=O)N(CC(=O)NC1=C(C=C(C=C1)F)F)C2CCCCC2 1 2.276 2 3 -10.2721082217944 954220 CC1=CC=CC=C1NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl 1 2.612 2 3 -6.69753908251754 954212 COC1=CC=CC(=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl 1 2.11 2 4 -4.32894502520337 954208 CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC(=O)O)C2CCCCC2)C 1 3.745 1 4 -7.79949888283033 954161 CC1CCN(CC1)C(=O)CN(C2CCCCC2)S(=O)(=O)C 1 1.663 2 3 0 -14.1417603791665 954160 CN(CC1=CC=CC=C1)C(=O)CN(C2CCCCC2)S(=O)(=O)C 1 2.077 2 3 -12.050104883934 954147 C1=CC(=C(C(=C1)Cl)COC(=O)CNC(=O)C2=CC=CS2)F 1 3.151 1 3 -12.7896258206677 954137 CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C(C=CC=C2Cl)F 1 3.684 1 3 -11.3184525303105 954134 CC1=CC(=CC=C1)N2C(=CC(=C(C2=O)C#N)C)C 1 2.744 2 1 -2.25714582961614 953929 CC1=NC2=C(S1)N(C3=CC=CC=C32)CC(=O)OC 1 2.259 2 2 -2.53252613836138 953794 CC1=CC=CC=C1NC(=O)C2=CC(=CC(=C2OC)C)Br 1 4.319 1 2 -4.35436922354071 953792 CCN1N=C(N=N1)NC(=O)C2=C(N=CC=C2)Cl 1 1.262 6 1 0 -5.25315761409636 953772 CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 2.518 3 3 -8.88588207325044 953694 CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CN=CC=C2)C 1 3.588 3 1 -9.58294107893037 953674 CC1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)C#N)F 1 4.03 3 1 -7.54718286433019 953673 CC1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F 1 4.151 2 1 -5.59648035969668 953650 CC1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CO3 1 4.492 3 2 -9.27215278065796 953649 CC1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 3.36 3 4 0 -5.26002203752662 953647 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 3.405 2 3 -7.10802621538968 953646 CC1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3C 1 4.267 2 2 -6.81126147697778 953635 C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NCC3=CC=CC=C3 1 3.263 2 3 -12.208429917432 953631 CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(C)(C)C 1 2.998 3 2 -16.2702259194093 953619 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)C(C)C 1 2.45 5 1 -15.0810696749111 953585 CC1=NN=C2N1N=C(S2)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4 1 1.348 6 1 0 -9.97668136699209 953577 C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)Cl 1 4.304 2 1 -1.33194438214782 953520 C1=COC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)F 1 3.519 3 2 -4.16780428312746 953485 C1=CSC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)F 1 3.399 2 1 -1.86552528499633 953455 CN1N=C(N=N1)NC(=S)NC(=O)C2=CC=CC=C2 1 1.87 6 1 0 -11.1580429650571 953429 CN1N=C(N=N1)NC(=O)C2=CC=CC=C2 1 1.191 5 1 0 -8.17570982713089 953423 CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=NN(N=N2)C)C 1 2.747 5 2 0 -6.19631041936003 953413 CC1=C(C(=CC=C1)OCC(=O)NC2=NN(N=N2)C)C 1 1.998 5 2 0 -5.78740756682102 953410 CN1N=C(N=N1)NC(=S)NC(=O)CC2=CC=CC=C2 1 1.904 6 1 0 -9.90059231138397 953311 CCC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCC2 1 3.182 2 1 -0.417270166824673 953280 CC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)C)C 1 2.619 2 3 -8.79598276919544 953175 CCN1N=C(N=N1)NC(=O)COC2=CC=C(C=C2)C3CCCCC3 1 3.566 5 2 0 -5.02197024532302 953195 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)C)C#N 1 4.549 3 1 -16.3632572901731 953146 CCN1N=C(N=N1)NC(=O)C2=CC=CC=C2Br 1 2.288 5 1 -6.77083730515797 953142 CCN1N=C(N=N1)NC(=O)C(C)(C2=CC=CC=C2)C3=CC=CC=C3 1 3.486 5 1 -5.11650317096545 953106 CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC(F)F 1 3.906 1 2 -5.61048130767357 953082 C1CCN(CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CO3 1 4.152 3 2 -5.96162615048999 953064 COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CS3 1 2.731 2 4 -9.44805230498816 953010 CCN1N=C(N=N1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.269 6 4 0 -9.73582147241518 953023 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)C 1 1.32 5 1 0 -11.4002127109391 953045 CCC1=CC=C(C=C1)C(=O)NC2=NN(N=N2)CC 1 2.482 5 1 -7.46518785792408 953039 CCN1N=C(N=N1)NC(=O)COC2=C(C=CC(=C2)C)C(C)C 1 3.055 5 2 0 -6.8263333017062 953038 C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)OC(=O)C=C3)[N+](=O)[O-] 1 2.578 2 5 0 -11.9321589390366 952951 COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CC=C3 1 2.778 2 4 -9.61575024815242 952853 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CC(=CC(=C2)OC)OC)C 1 3.927 2 3 -13.8091213162722 952843 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C 1 3.728 2 3 -13.3233995217215 952835 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2)C 1 4.555 2 2 -5.80385682942023 952830 CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC)Cl 1 2.75 3 1 0.120222837316915 952829 CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)Cl 1 3.142 3 2 0.459303993974034 952806 C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3 1 2.414 2 6 0 -12.121524629598 952779 CCN1N=C(N=N1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 2.639 6 4 0 -5.06494067415072 952755 CCN1N=C(N=N1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.357 5 1 -1.80433376199184 952748 CC1=CC2=C(C=C1Cl)N=C(S2)NC(=O)C3=CC=CO3 1 3.786 2 2 -2.22938671358597 952729 CC1=C(OC2=NC(=NC(=C12)N)SCC(=O)NCC3=CN=CC=C3)C 1 1.533 5 2 0 -13.5775586210278 952677 C1COCCN1C2=C(C=CC=C2Cl)NC(=O)C3=CC=CS3 1 3.082 2 2 -6.87462562369052 952659 C1=CC2=C(C(=C1)NC(=O)C3=CC(=CC=C3)Cl)N=CC=C2 1 3.465 2 1 -4.29421593369857 952615 COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC3=C2C=CC=N3 1 2.619 2 3 -6.77748501163302 952584 C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CO3 1 2.524 2 3 -2.74447287614844 952583 C1COCCN1C2=C(C=CC=C2Cl)NC(=O)C3=CC=CO3 1 2.524 2 3 -5.34082360115863 952577 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=CC4=C3C=CC=N4 1 3.396 2 2 -0.682984069730448 952514 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.215 3 4 0 -4.75955852930676 952505 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=CC4=C3C=CC=N4 1 2.586 2 3 -9.5504336890754 952501 C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CN=CC=C3 1 1.978 3 2 0 -5.63348608453021 952500 C1COCCN1C2=C(C=CC=C2Cl)NC(=O)C3=CN=CC=C3 1 1.978 3 2 0 -8.22983680954041 952495 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C3=CN=CC=C3 1 1.65 3 1 0 -7.60260154473152 952493 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C(Cl)(Cl)Cl 1 2.815 2 1 -5.69525050028788 952442 C1=CC=C(C(=C1)C(=O)NC2=CC=CC3=C2C=CC=N3)F 1 3.006 2 1 -7.34313349546316 952436 C1=CC=C(C(=C1)C(=O)NC2=CC=CC3=C2C=CC=N3)Cl 1 3.465 2 1 -6.15036219313769 952430 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CC=N3)[N+](=O)[O-] 1 3.181 3 3 -9.54253363090934 952417 C1=CC=C(C(=C1)C(=O)NC2=CC=CC3=C2C=CC=N3)[N+](=O)[O-] 1 2.695 3 3 -9.76098711449519 952393 C1COCCN1C2=C(C=CC=C2Cl)N 1 1.597 2 1 0 -1.19703018967543 952350 CC1=NC2=CC=CC=C2N=C1OCC3=CC(=CC=C3)[N+](=O)[O-] 1 3.577 3 3 -2.39470726865463 952362 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCCCC3 1 3.589 2 2 -2.59406114597122 952304 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NC2CCCCC2 1 3.185 3 3 -9.62494786873956 952267 C1CC1C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)Cl 1 4.188 2 1 -7.40623493203424 952259 COC1=CC=CC=C1C(=O)NC(=S)N2CCCC3=CC=CC=C32 1 4.634 2 2 -13.517200966009 952256 COC1=CC=CC=C1C(=O)NC(=S)N2CCC3=CC=CC=C32 1 4.178 2 2 -15.0465712929172 952251 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N 1 1.806 2 3 0 -5.98476270799899 952248 CC1=C(C(=CC=C1)NC(=S)NC(=O)CC2=CC=CC=C2)C 1 4.773 2 1 -5.9206265862904 952244 CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C(C)C 1 3.908 4 1 -9.33848398013104 952243 C1COCCN1C(=O)C2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl 1 3.465 1 3 -3.0039092476081 952238 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.637 3 5 0 -2.6093505517879 952237 CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C 1 3.626 3 4 0 -0.392444285092662 952234 C1=CC(=NC=C1Cl)NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.081 3 4 0 -1.13427257065545 952224 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC(F)F 1 3.42 1 2 -6.57454187219532 952079 CCOC(=O)C1=CC=C(O1)COC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.976 0 7 0 -10.0354987187578 952078 CCOC(=O)C1=CC=C(O1)COC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.329 1 6 0 -10.8396295757935 952077 CC(=O)NC1=CC=C(C=C1)SC2=CC=CC=C2C(=O)O 1 2.698 1 3 -4.58777261357345 952076 CCC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C2 1 3.028 3 1 3.71591244971723 952057 C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N=C3 1 4.025 3 1 2.40337994687295 952056 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CC1=CC(=CC=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O 1 3.034 4 4 0 -3.65281018674338 951250 CCOC(=O)C1=C(C2=C3CCCC3=C(N=C2S1)CC(C)C)N 1 4.203 2 2 -7.28300518394216 951231 CN1C2=CC=CC=C2N=C1C3=CC4=CC=CC=C4OC3=O 1 3.506 2 2 2.37402810474861 951221 CC1=CC(=NC(=N1)NC(=O)CSC2=NC=CC=N2)C 1 1.057 5 1 0 -11.5679262679757 951215 CC1=NC=CN1CC(=O)NN=CC2=CC=CS2 1 0.842 4 1 0 -8.92401169876223 951201 C1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=CC=CC=C4OC3=N 1 4.242 2 1 7.38447646353667 951194 C1=CC=C(C(=C1)CNC2=NC=C(C=C2)Br)O 1 2.644 2 1 1.37866460943644 951189 C1NC(=S)N(CN1CC2=CC=CO2)CC3=CC=CO3 1 2.646 3 2 -5.9402212725076 951184 C1=CC=C2C(=C1)C=CC(=C2CNC3=CC4=CC=CC=C4N=C3)O 1 4.074 2 1 7.96107391913118 951167 CC1=CC=C(C=C1)C(=O)COC2=C(C(=CC(=N2)C)C)C#N 1 3.591 2 2 -8.86211420888933 951158 C=CCN1C2=CC=CC=C2N=C1NCC3=C(C=CC(=C3)Cl)O 1 4.052 3 1 1.54399570719503 951156 CCOC1=CC=C(C=C1)C=NNC(=O)CC2=CC=CS2 1 3.004 2 2 -8.58305136733756 951154 CC1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)N=C(C=C3C)C)N 1 3.386 2 2 1.88211274689018e-003 951127 CC1=C(C(=CC=C1)N2CN(CNC2=S)CC3=CN=CC=C3)C 1 4.193 4 0 -1.67388043037732 951116 CC1=CC(=C(C=C1)O)CNC2=CC3=CC=CC=C3N=C2 1 3.652 2 1 7.90303318149681 951094 C1=CC=C(C=C1)/C=C(/C=NN2C(=NNC2=S)C3=CC=CO3)\Cl 1 3.871 4 1 -3.53993582904927 951091 C1=CC=C2C(=C1)N=NN2CC(=O)OCC(=O)C3=CC=C(C=C3)F 1 2.809 3 3 -13.8422523608372 951071 CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC4=CC=CC=C4O3)[O-] 1 2.574 2 4 -1.8564226189357 951060 COC(=O)C1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)OCO3 1 2.146 2 5 0 -13.3671498908357 951051 CC1=NC=CN1CC(=O)NN=CC2=C(C(=CC=C2)O)OC 1 0.63 4 3 0 -4.29491650897251 951039 C1NC(=S)N(CN1CC2=CN=CC=C2)C3=CC=C(C=C3)F 1 3.426 4 0 -4.09062995950445 951027 CC1=C(C2=C(N1CC(C)C)C3=CC=CC=C3C(=C2)OC)C(=O)O 1 4.188 1 3 -4.56646288657772 951024 C/C(=C(\C#N)/P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)/O 1 3.256 1 2 -6.67619879780676 951014 CC(C)CC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCCC2)Cl 1 4.764 3 1 -7.32485512979074 951008 CC1=C(C=C(C=C1)N2C(=NC3=NC4=CC=CC=C4N=C32)C5=CC=CO5)F 1 4.998 4 1 2.50791496167106 950998 COC1=CC=C(C=C1)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NN 1 1.331 4 3 0 -9.27424085221905 950963 C1=CC=C2C(=C1)C=CC3=C2OC=C(C3=O)C=NNC(=S)N 1 2.118 3 2 -1.75664911906356 950941 C1CCC2(CC1)OC(=O)C(=CNC3=NC4=CC=CC=C4S3)C(=O)O2 1 2.771 2 4 -1.00255124098665 950934 C1=CC=C2C(=C1)C=CC(=C2CNC3=NC=C(C=C3)Br)O 1 3.553 2 1 3.5002440386217 950930 CC1=CC(=C(C=C1)C)N2CN(CNC2=S)CCC3=CCCCC3 1 6.087 3 0 -6.06739227154561 950929 CC1=CC(=CC=C1)N2CN(CNC2=S)CC3=CN=CC=C3 1 3.706 4 0 -3.00923081809196 950924 C1=CSC(=N1)NCC2=CC(=CC(=C2O)Cl)Cl 1 2.833 2 1 5.21704290589359 950923 CC1=C(C2=C(N1)C=CC(=C2)OC)C(=O)CN(C)CC3OCCO3 1 1.755 2 4 0 0.497760370258209 950922 C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)C4=CC=C(C=C4)Cl 1 2.711 4 1 3.44102405123185 950921 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N3CCCC3 1 3.221 2 2 -4.95845688612906 950919 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=C(N=CC=C3)Cl 1 2.96 3 1 -2.45199349225392 950916 C1COCCN1CC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3 1 2.843 2 2 -4.35447536028051 950897 CC1=CC(=C(C=C1)C)N2CN(CNC2=S)CC3=CN=CC=C3 1 4.193 4 0 -3.9882371707644 950890 C1CCCCCC2=C(CCCC1)N=C(S2)N 1 4.208 2 0 -0.946169789197548 950887 C1=CC=NC(=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)Cl 1 3.689 5 0 -1.2553501388914 950881 CN1C2=C(C=CC(=N2)[N+](=O)[O-])NC1=O 1 0.72 4 3 0 -5.20914759584834 950875 C1CCC(CC1)N2CNC(=S)N(C2)C3=CC=CC=C3 1 4.645 3 0 -4.75664939290232 950855 C1=CC(=CC(=C1)Cl)C2=NNC(=S)N2N=CC3=CC=CO3 1 3.806 4 1 0.399529200463045 950852 C1=CC2=C(C(=C1)NCC3=C(C=CC(=C3)Cl)O)N=CC=C2 1 3.83 2 1 6.63704083575165 950841 CC1=CC(=C(C=C1)OC)N2C=NN=N2 1 1.186 4 1 0 -11.1706160305249 950839 CC1=CC2=C(C=C1)OC=C(C2=O)C=NNC(=S)N 1 1.696 3 2 0 -1.97744329929299 950827 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3CCCCC3 1 3.33 3 2 -9.30033328952367 950814 C1=CC=C2C(=C1)C=C(C=N2)NCC3=C(C=CC(=C3)Cl)O 1 3.83 2 1 9.80700450208371 950806 CCOC(=O)CN1C(=CC(=O)C2=CC=CC=C21)C 1 2.136 1 3 -4.96739292038572 950802 CCOC1=CC=CC=C1N2CN(CNC2=S)C3CCCCC3 1 4.978 3 1 -6.95013074372846 950786 CC(C)CN1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 3.891 2 1 -5.55721784567811 950785 CC1=CC(=NC(=C1C#N)OCC(=O)C2=CC=C(C=C2)OC)C 1 3.089 2 3 -9.01574087506462 950779 C1CCN(CC1)C(=S)SCC(=O)N2CCC(CC2)C(=O)N 1 1.861 3 2 0 -11.4589233145698 950774 CCOC(=O)C1=CC=C(C=C1)N2CN(CNC2=S)C3CCCCC3 1 4.85 3 2 -10.2364294108371 950772 CC1=CC(=C(C=C1)C)N2C3=CC=CC=C3C=C4C2=NC(=O)N(C4=O)C 1 3.832 3 2 2.93227704801683 950771 C1CN(CCN1CC2=CC=CC=C2)N=CC3=CC=C(C=C3)C(F)(F)F 1 4.046 3 0 7.45393643070847 950762 CC1=CC=CC=C1C=NN2C(=NNC2=S)C3=CC=CC=N3 1 3.511 5 0 -2.99853475537876 950756 C1=CC=C2C=C(C=CC2=C1)OC3=CS(=O)(=O)C4=CC=CC=C43 1 3.217 0 3 2.01516778094643 950750 COC1=CC=CC(=C1O)CNN2C=NN=C2 1 0.232 4 2 0 0.727660916715709 950746 CC1=CC=CC(=C1)C=NN2C(=NNC2=S)C3=CC=CC=N3 1 3.511 5 0 -1.65280455132034 950745 CC(C)CC1=C2CCCC2=C3C4=C(C(=O)N=CN4)SC3=N1 1 3.666 3 1 -5.08194069741842 950738 C1=CC=C(C(=C1)CNC2=CC=CC=N2)O 1 2.368 2 1 3.95629721643608 950729 CC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC=C(O3)C 1 3.774 4 1 -2.42385997448806e-002 950720 CC1=NC=CN1CC(=O)NN=CC2=CC(=CS2)Br 1 1.59 4 1 0 -3.71090270602842 950713 C1=C(C=C(C(=C1Cl)O)CNN2C=NN=C2)Cl 1 1.578 4 1 0 4.38189769283084 950701 COC1=CC=C(C=C1)NC(=O)NC2=NC3=CC=CC=C3S2 1 3.132 3 2 -0.360665222765472 950700 C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4N=C5C=CC=CC5=N4 1 5.198 5 0 5.69203402032126 950691 CC1=CC2=C(C=C1)NC(=C2C)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 4.135 4 3 0 -0.927717371766856 950682 COC1=CC=CC=C1N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4 1 3.739 5 2 0 -0.962211844252185 950668 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2NN 1 2.904 4 0 6.57325632078044 950665 COC1=CC=CC=C1NN=C(C(=O)OC)N2CCCC3=CC=CC=C32 1 3.531 3 3 -7.21582623237621 950649 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)N3CCCCC3 1 2.773 4 0 -1.44529143854914 950620 CC1=CC(=NC(=C1C#N)N(C2=CC(=CC=C2)Br)C(=O)C)C 1 3.517 3 1 -5.72254819825725 950608 C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)N 1 1.152 5 2 0 -16.8911611698654 950592 CC1=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])C)C 1 2.855 2 2 1.5604622938073 950587 CN(C)C(=O)NC1C2=CC=CC=C2C3=CC=CC=C13 1 2.459 2 1 -2.02673923685607 950586 CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2Cl)C 1 4.71 1 2 -6.07087149473587 950568 C1=COC(=C1)C2=NNC(=S)N2C3=C(C=CC(=C3)C(F)(F)F)Cl 1 4.68 3 1 3.68958156271167 950565 CC1=CC=C(C=C1)OCC2=NC(=C(O2)N3CCCCC3)C#N 1 3.485 3 2 -6.46616508762223 950557 CC1=CC(=NN1C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C 1 4.047 3 1 -6.13928567880454 950546 COC(=O)C(=NNC1=CC=CC=C1)N2CCCC3=CC=CC=C32 1 3.547 3 2 -4.40069712579128 950532 CCC1=NC2=CC=CC=C2N1CC(=C)Br 1 3.548 2 0 -2.29482331212811 950484 CS(=O)(=O)NC1=CC=CC(=C1)C2=CN3C=CC=CC3=N2 1 1.428 3 2 0 -1.09192136604047 950488 CCOC(=O)C1=C(N(C(=S)S1)CC2=CC=CC=C2)C 1 3.957 1 2 -7.00038545266282 950448 COC1=CC=C(C=C1)C(=O)COC2=CC=CC=C2C#N 1 2.932 1 3 -6.03748397539483 950443 COC1=CC(=C(C=C1)OCC(=O)C2CC2)C#N 1 2.015 1 3 -7.35015946221661 950442 C1CCN(C1)C2=NC(=C(C(=C2F)OC3=CC=CC=C3O)F)F 1 3.537 2 2 7.14102678457141 950438 CNC1=CC=C(C=C1)OC2=C(C(=NC(=C2F)F)F)F 1 3.632 2 1 2.90529370578395 950424 CCN1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C#N 1 1.407 6 1 0 -10.022035794136 950418 CC1=C(SC(=S)N1CC2=CC=CC=C2)C(=O)OC 1 3.608 1 2 -5.96173006743566 950417 CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C#N)N3CCN(CC3)C 1 1.059 6 1 0 -8.41537989068515 950402 COC1=CC=C(C=C1)C2=NC(=C(O2)NC3=CC=C(C=C3)OC)C#N 1 3.601 3 3 1.30000498698529 950392 C1=CC(=CC=C1CSC2=NN=C(S2)SCC(=O)N)F 1 2.572 3 1 -12.5732316368446 950383 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NC3=CC=CC=C3C(=O)O 1 2.988 1 4 -5.49870234948042 950371 C1=CC(=CN=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br 1 2.28 4 1 -11.8986026257751 950362 CC1(CC(=O)C(=NNC2=CC=C(C=C2)OC)C(=O)C1)C 1 2.455 2 3 -8.89907559637898 950349 CC(C)(C)C1CCC(CC1)OC(=O)CN2CCOCC2 1 2.739 1 3 -9.89736986322218 950340 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=CC=C4 1 3.621 5 0 5.26099202021276 950322 CCN1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N 1 2.447 5 3 0 -2.06026313099543 950314 C1=CC=C2C(=C1)C=C(O2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.172 3 4 0 -3.00131033519469 950308 CC(C)OC1=CC=C(C=C1)CC(=O)NNC(=S)NC2=CC=CC=C2 1 4.019 3 2 -9.29592474301579 950302 C1=CC=C(C=C1)/C=C(/C=NNC2=NN3C=NN=C3C=C2)\Br 1 2.491 6 0 -6.53378128215508 950297 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=CC=C3Cl 1 4.873 4 0 -2.66676267911626 950294 CC1=CC(=NC(=N1)SCC2=NN=C(O2)SCC(=O)OC)C 1 1.62 4 3 0 -21.6262428658144 950287 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=CC2=CC=CN2C 1 3.79 3 2 -7.35612858238713 950286 C1CCC(=CC1)CC2=NN=C(S2)NC(=O)NC3=CC=CC=C3F 1 3.584 4 1 -13.9763638057577 950280 C1=CC=C(C=C1)/C=C/C(=O)OCN2C(=O)C3=CC=CC=C3C2=O 1 2.816 1 4 -5.11538051422283 950277 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)C 1 0.399 4 2 0 0.630082615868762 950276 C1=CC=C2C(=C1)N=C(O2)SCC(=O)NN=CC3=CC=CO3 1 2.539 3 3 -7.89837870374167 950273 C1=CC2=C(C=C1C(=O)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)NC=N2 1 2.757 5 3 0 -6.17367606281295 950271 CC(C)NC(=O)C1=C(C2=C(S1)CCCC2)C(=O)NC3=CN=CC=C3 1 2.735 3 2 -17.8863936152919 950270 C1CN(CCN1C=O)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 1.9 2 2 0 -1.30569833398703 950267 C1=CC(=CC=C1C#N)OCC2=CC=C(O2)C(=O)O 1 2.379 1 4 -6.85416040563893 950262 CC1=CC=C(C=C1)C2=NC(=C(N2)S(=O)(=O)C3=CC=CC=C3)SC 1 4.436 2 2 -4.38266523738858 950254 CC1CCN(CC1)CC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.384 3 1 -5.18116531975328 950249 CC1=CC=CC(=C1)C2=NC(=S)NN2C3=NC4=CC=CC=C4S3 1 4.79 4 0 6.95237443765317 950248 C1=CC=C(C(=C1)C=NN2C(=NNC2=S)C3=CC=CO3)Cl 1 3.806 4 1 -1.2741167147372 950237 C1=COC(=C1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)Cl 1 3.806 4 1 -0.973506149376461 950218 C1=CC(=CN=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)SC(F)F 1 3.134 3 1 -12.8598377465225 950202 CC(=NNC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1)C 1 1.102 4 2 0 -22.7666799497596 950199 CCC(=O)NC1=CC2=C(C=C1)N(C=N2)C3=CC=C(C=C3)C 1 3.401 3 1 -1.38504483139909 950191 CCOC(=O)C1CCN(CC1)C(=O)COC2=CC=C(C=C2)Cl 1 2.42 1 4 -7.54617804399577 950184 C1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)NC3=CC=CC=C3F 1 2.962 4 2 -10.7085110098356 950176 CC(=NNC(=O)CSC1=NC2=CC=CC=C2O1)C3=CC(=CC=C3)O 1 2.882 3 3 -6.27857024546465 950160 CCOC(=O)CC1=CSC(=N1)NC(=O)CCCC2=CC=CC=C2 1 3.226 2 3 -13.180204097013 950159 CC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=NC=C3 1 3.082 5 0 -2.50891517989337 950158 CC1CCC2(CC1)NC(=S)N(N2)C(C)(C)C 1 2.792 3 0 -3.02049048276369 950153 CCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=S)N1 1 2.72 2 1 -16.8163388720792 950151 CCN(CC)CC(=O)NC1=C(C=C(C=C1)C)C(=O)C2=CC=CC=C2 1 3.544 2 2 -9.05159788739054 950147 CC1=CC(=NC(=N1)SCC2=C(C=CC(=C2)C(=O)C)OC)C 1 2.986 2 2 -12.9538767538084 950142 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=C(C=C3)Cl 1 4.247 4 1 -2.84214473212522 950140 COC1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=CC=CO3)C#N 1 2.121 2 3 -1.78749478963926 950137 C1=CC2=C(C=C1Br)OC=C(C2=O)C=NC3=NC=NN3 1 1.887 4 2 0 -0.994187624469233 950132 CC1=CC(=O)OC(=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C 1 2.492 2 3 -5.14504599437238 950131 C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)O 1 4.017 1 3 -3.21153165535682 950115 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=NC=CN=C3 1 1.465 6 1 0 -8.57727087404072 950114 CC1=CC(=NN1CC(=O)NN=CC2=CC=CC=C2F)[N+](=O)[O-] 1 1.969 5 3 0 -13.0439204236435 950083 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC=C3OC 1 3.067 2 2 -8.03687987435348 950075 C1=CC=C2C(=C1)C(=CC(=N2)Cl)C(=O)NC3=NC=CS3 1 2.671 3 1 -8.06652486205965 950072 CCOC(=O)CN1C2=C(C(=N1)C)C(=O)CCC2 1 1.209 2 3 0 -12.7280252937973 950065 CC1=CC=CC(=C1)C2=NC3=C(C=C(S3)C)C(=O)O2 1 3.559 1 2 -0.615238066976179 950037 C1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)NCC4=CC=CS4 1 4.26 3 0 -0.752948573580023 950035 CC(=NNC(=O)CC1=CC(=O)NN1)C2=CC(=CC=C2)[N+](=O)[O-] 1 -0.291 5 4 0 -12.2827263145398 950027 CCCC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NN)OC 1 2.762 2 4 -7.41400601966886 950009 C1=CC(=CC(=C1)COCC(C(F)F)(F)F)C(=O)NN 1 1.148 2 2 0 -8.04630836103044 950008 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=C(C=C3)F 1 2.885 3 1 -4.11225546522738 950000 CC1=NC=C(C=C1)C(=O)NN=C(C)/C=C/C2=CC3=C(C=C2)OCO3 1 2.022 3 3 -9.33577336342101 949998 COC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=CC=C3F)N 1 3.417 3 2 -1.33853072777877 949996 CN(C1=CC=CC=C1)C(=O)N2C=NC3=CC=CC=C32 1 3.113 3 1 -3.36251036085325 949980 CC1=C(SC(=S)N1CC2=CC=CC=C2)C(=O)C 1 3.483 1 1 -4.4567353311319 949973 CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)NN=CC3=CC=CC=C3 1 4.418 3 1 2.49586606408581 949966 CCCN1C(=CSC1=NC(=S)NC2=CC=CC=C2)C 1 4.377 3 0 -8.22500593799388 949960 C1=CC=C(C(=C1)CSC2=NC3=C(S2)C=C(C=C3)N)F 1 4.039 2 0 -2.587414035468 949958 CC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)NN=CC(C)C 1 3.006 4 3 0 -3.34895477880984 949944 C1CCC(CC1)NC2=CC(=NC=N2)Cl 1 3.13 3 0 -3.33729934066885 949932 C1=CC=C(C(=C1)N)NC2=C(C(=NC(=C2Cl)F)F)F 1 3.526 3 0 3.17419364494309 949923 CC(=O)C1=CC=C(C=C1)OC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3 1 4.692 1 3 -6.53037600684317 949920 CN(C)C(=S)NN1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 3.617 4 1 -6.28642132299794 949919 CCN1CCN(CC1)C2=NC3=C(N2CC(=C)C)C(=O)NC(=O)N3C 1 1.147 6 2 0 -8.21253812434769 949916 C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)Br)C(=O)NN 1 3.192 3 1 0.341685783238539 949905 C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NN 1 3.108 3 1 1.16732422170385 949903 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C4=CC=CC=C4 1 1.407 6 2 0 -7.81684280882687 949900 CC1=CC(=CC=C1)CN2C3=C(N=C2N(C)CCO)N(C(=O)NC3=O)C 1 1.308 5 3 0 -3.57813127580814 949887 CC1=C(NC2=C1C=CC=C2[N+](=O)[O-])C(=O)NN=CC(C)C 1 3.006 4 3 0 -3.30858930944225 949872 CC1=CC(=CC=C1)OCC2=NC(=C(O2)N3CCCC3)C#N 1 3.029 3 2 -5.01985378431536 949861 CC(=O)/C=C/C1=CC=CC=C1OC2=C(C(=NC(=C2F)F)F)F 1 4.022 1 2 4.92279809371897 949845 CC1=C(NC2=C1C=CC=C2[N+](=O)[O-])C(=O)NN=CC3=CC=CC=C3 1 3.648 4 3 0 -2.08664708738536 949824 CN(C)C1=C(N=C(O1)C2=CC=CC=C2F)C#N 1 2.452 3 1 1.64821695466142 949809 C1=CC=C(C(=C1)CSC2=NN=NN2C3=CC(=CC=C3)O)F 1 3.347 4 1 -14.191122135779 949804 CC(C)OC1=CC=C(C=C1)C=NNC(=S)N 1 2.509 3 1 -5.03235651530343 949796 CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)N4CCCCC4)C#N 1 5.327 4 0 -10.6405799740244 949795 CCOC1=CC=C(C=C1)C2=NC(=C(O2)N3CCCCCC3)C#N 1 3.952 3 2 -2.10635413413944 949776 COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=CC=C3F)C#N 1 3.823 3 2 0.339864905570412 949774 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2=NNC(=C2)C3CC3 1 2.41 4 4 0 -9.65153305273645 949773 C1=CC=C2C(=C1)N=NN2CCC(=O)NN 1 0.25 5 1 0 -12.74164193675 949760 COC(=O)C1(CCCCC1)NC(=O)NC2CCCCC2 1 2.862 2 3 -8.91669206611899 949745 COC(=O)C1=CN(C(=O)C(=C1)Br)C2=CC=CC=C2F 1 1.932 1 3 0 -4.81148267474883 949744 C1=CC=C2C(=C1)C=CC=C2N3C(=NNC3=S)CC4=CC=CS4 1 4.575 3 0 -4.77993382860371 949740 C1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC=CC4=CC=CC=C43 1 4.621 3 0 -4.27966370065274 949731 CC(C)(C)NC(=O)CN1C2=C(C=CC(=C2)Cl)OC1=O 1 2.201 2 3 -7.69218639904443 949719 C1=CC=C(C=C1)COC2=CC=CC3=C2N=C(C=C3)C=NNC(=S)N 1 3.981 4 1 -5.99838813912774 949716 CC1=C2C(=NN=C(C2=C(N1C3=CC=CC4=C3N=CC=C4)C)C)C 1 3.039 4 0 -2.15006820455347 949691 CC1=CC=CC=C1N2C=NC3=C2C=CC(=C3)NCC4=CC=CS4 1 4.746 3 0 -3.69656506239782 949688 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 4.007 2 2 -7.24254305896809 949685 CC1=CC(=NN1CC(=O)NN=CC2=CC(=CC=C2)OC)[N+](=O)[O-] 1 1.747 5 4 0 -14.4150621278188 949684 COC1=CC=C(C=C1)C2=NNC(=S)N2C3=C(C=CC(=C3)OC)OC 1 3.629 3 3 -3.46963246599006 949672 CC(=NNC(=O)C1=NN(C=C1)C)C2=CC=NC=C2 1 0.591 5 1 0 -11.1301700848822 949666 CC1=CC(=O)OC(=C1C(=O)NC2=CC=C(C=C2)N(C)C)C 1 2.19 2 3 -10.2464819960175 949658 C1=CC(=CC(=C1)Cl)C=NN2C(=NNC2=S)C3=CC=NC=C3 1 3.261 5 0 0.476387434835147 949645 CC1=NC2=C(C(=C1)C3=CC=CC=C3)C(=C(S2)C(=O)OC)N 1 2.941 2 2 -3.0940659296042 949644 C1CCC2=C(C1)C(=O)C(=C(N2)O)C(=O)NC3=CC=C(C=C3)O 1 1.86 2 4 0 -9.35389010305884 949621 C1=CC2=C(C=C1C(=O)NN=CC3=C(C=C(C=C3)Cl)Cl)NC=N2 1 3.527 4 1 -3.02093724618542 949586 CCOC(=O)C1=C(N(C(=S)S1)C)NC(=O)C2=CC=CC=C2 1 3.326 2 3 -9.54332213831795 949560 C1=CC(=O)N(C=C1)CCOC2=CC=C(C=C2)Cl 1 2.178 1 2 -0.70559492059461 949557 CNC(=S)NC1=CC=C(C=C1)CC2=CC=NC=C2 1 3.336 3 0 -7.92787388836324 949542 COC1=CC(=C(C=C1)O)/C=C(\C#N)/C(=O)NC2=CC=CC=N2 1 2.051 3 3 -7.14551435953828 949524 C1=CC(=CC=C1NC2=CC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Cl 1 3.806 2 2 0.588365023463022 949489 CCOC(=O)CSC1=C(C(=CC(=N1)C(C)(C)C)C(F)(F)F)C#N 1 4.466 2 2 -14.6521764496394 949486 C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 1.705 4 2 0 -15.6466378223809 949472 CCC(=O)NC1=CC2=C(C=C1)N(C=N2)C3=CC=CC=C3C 1 3.401 3 1 -4.99515383080452 949458 C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)COC3=CC=CC=C3F 1 2.962 4 2 -8.28457473858069 949440 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=C(C=CC=N3)Cl 1 3.262 2 2 0.954374433175227 949427 C1OC2=C(O1)C=C(C=C2)NS(=O)(=O)/C=C/C3=CC=CC=C3 1 2.027 1 4 5.22777626145974 949426 CC1=CC(=NN1CC(=O)NN=C(C)C2=CC=C(C=C2)OC)[N+](=O)[O-] 1 1.728 5 4 0 -16.0807890684904 949425 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC4=CC=CC=C4O3 1 3.046 2 4 -2.24108982850485 949423 CC(=NNC(=O)C1=CC2=C(C=C1)N=CN2)C3=CC=C(C=C3)OC 1 2.163 4 2 -9.24347804274856 949418 COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NO 1 3.079 1 4 -1.35853305674399 949404 C1=CC(=CC=C1C2=CC=C(O2)C=NNC(=S)N)SC(F)F 1 4.368 3 1 -0.785772181275861 949398 COC(=O)NCC1=CC2=C(C=C1)OCO2 1 1.368 1 4 0 -7.53905082032603 949386 CC1=C(C2=C(N1CC3=CC=CO3)C=CC(=C2)OC)C(=O)C 1 2.963 1 3 -2.14231944790265 949378 CN1C=C(C2=CC=CC=C21)C(=O)NN=CC3=CC4=C(C=C3)OCO4 1 2.95 3 3 -6.01073302706456 949366 CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-] 1 2.941 5 2 0 9.24549227041561 949363 CN1C=C(C2=CC=CC=C21)C(=O)NN=CC3=CC=CS3 1 3.136 3 1 -5.7747516073078 949350 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)OC(C)C 1 3.023 3 1 -3.74898989561389 949348 COC(=O)C1=C(C2=C(C3=C(CCCC3)N=C2S1)C4=CC=CS4)N 1 4.132 2 2 -8.14100781001627 949334 CC(C)CCOP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 1 4.383 0 2 -6.01034074119197 949298 CC(C)CC1=NC2=CC=CC=C2N1CCC3=CC=CC=C3 1 5.091 2 0 -0.423278802080932 949265 CN1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)Br 1 3.153 3 1 -8.87657808407712 949243 CC(=NNC(=O)CC1=CC(=O)NN1)C2=CC=C(C=C2)[N+](=O)[O-] 1 -0.291 5 4 0 -11.9895802688413 949237 C1CCCC(=NNC2=CC=CC=CC2=O)CC1 1 2.269 2 1 -6.46196251759556 949227 C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C#N)C(=O)NN 1 2.591 3 1 -5.13133923144479 949216 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl 1 3.261 3 1 -0.642520254992426 949196 CC1=CC=CC=C1OCC(=O)NN=CC2=CC=CN2C 1 2.595 3 2 -8.19175593271986 949193 CC1=CC=CC(=C1)C=NN2C(=NNC2=S)C3=CC=CO3 1 3.628 4 1 -0.572992430528499 949188 CC1=C(SC=C1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3 1 2.638 4 1 -6.443117517849 949176 CCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3CCCCC3 1 4.541 4 1 -4.66676626044239 949175 CC(=NN1C(=O)C2=CC=CC=C2NC1(C)C)C 1 0.922 3 1 0 -4.54137408080146 949169 COC1=CC=CC=C1N2C=NC3=C2C=CC(=C3)NCC4=CC=CS4 1 4.243 3 1 -5.1290928401391 949167 CCNC(=O)C1=CC2=CC=CC=C2O1 1 1.981 1 2 0 -2.48106390579959 949166 CC(C)N1C2=CC=CC=C2N=C1C3=CC=CS3 1 4.156 2 0 -0.918594323988887 949154 CC1=C(SC(=N1)NC(=S)N)C(=O)NC2=CC=CC=C2 1 1.964 4 1 0 -7.44931028314283 949153 CC(=O)N1CCOCCOCCOCC1 1 -0.995 1 4 0 -7.23386583405901 949152 CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)NC3CCCCC3 1 3.593 3 3 -9.74556940440326 949151 CN1C(=NN=N1)SCC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 2.378 5 1 -14.5416575897896 949144 C1CN2C(N2C1)C3=CC=C(C=C3)F 1 1.32 2 0 0 0.621016276108148 949143 CC(=O)CC(C)(C)NC1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-] 1 1.54 3 4 0 -5.98947260281694 949131 C1CN(CCC1C(=O)O)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl 1 1.999 1 4 0 1.46260666512025 949106 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3 1 2.361 5 1 -9.52844817044713 949092 CC1=NC(=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 3.345 3 1 -5.77666271395801 949083 C1C(=O)N(C(=S)N1)C2=NC3=CC=CC=C3S2 1 2.341 3 1 -2.23864405015218 949064 CC1=CC=CC2=C1NC(=NC2=O)NC3=NC(=CC(=N3)C)C4=CC=CC=C4 1 3.859 5 1 -4.15354799228585 949048 C1=CC=C(C=C1)CC(=O)NNC(=O)C2=CC=CC=C2C(=O)O 1 1.536 2 4 0 -11.6306768300141 949047 CC1(CC2=C(CS1)C=C3C(=C(SC3=N2)C(=O)O)N)C 1 2.262 2 2 -12.6311857257087 949028 CCOC1=CC=C(C=C1)CC(=O)OCN2C(=O)C3=CC=CC=C3C2=O 1 2.715 1 5 -8.01040186686628 949021 CC1=CC=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3O2 1 3.63 3 2 -7.45614980185046 949019 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32 1 2.931 3 2 -2.2429126256642 949000 C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC=CS3 1 2.875 4 1 -9.65521737045754 948973 CCC(=O)NC1=CC2=C(C=C1)N(C=N2)C3=CC=CC=C3 1 2.915 3 1 -2.05153734198672 948969 CCOC1=CC2=C(C=C1)N=C(S2)N3C(=O)CNC3=S 1 2.673 3 2 -5.18684453546914 948965 COC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)C#N 1 2.604 1 4 -7.19488661418799 948958 COC1=CC=CC(=C1)NC(=O)NC2=NN=C(S2)CC3=CC=CC=C3 1 2.94 4 2 -10.0270806529682 948957 CC1=CC2=C(S1)N=C(OC2=O)C3=CC(=CC=C3)Cl 1 3.737 1 2 -4.81962256888678e-002 948954 C1=CC=C(C=C1)NC2=NC(=NC=C2)NC3=CC=CC=C3 1 2.937 4 0 -0.947426235564666 948952 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=CC=C3[N+](=O)[O-] 1 4.103 5 2 0 -6.24048051775106 948932 CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=CN=CC=C3 1 2.44 4 0 4.68740096621744 948904 C1=CC=C2C(=C1)C=CC=C2OCC3=CC=C(C=C3)C(=O)NN 1 2.815 2 2 -3.59749502413957 948898 CC1(CC(=O)C(=NNC2=CC=CC=C2OC)C(=O)C1)C 1 2.455 2 3 -9.94122916828389 948892 CC(C)(C)N1C=NC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl 1 3.931 3 1 -3.46659253250041 948858 C1=CC(=CC=C1C=NNC(=O)C2=CC3=C(C=C2)N=CN3)[N+](=O)[O-] 1 2.093 5 3 0 -8.96155957919171 948855 CCC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)OCC 1 3.482 2 3 -9.97272814923524 948832 C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CN=CC=C2 1 1.771 3 1 0 -12.0005426199754 948813 CC1=CC2=C(C=C1)OC=C(C2=O)C=NO 1 1.553 1 3 0 4.27396476837927 948809 COC1=CC=CC(=C1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3 1 2.182 4 2 -6.96327049790621 948806 C1=COC(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)F 1 3.396 2 2 -5.58551237410433 948805 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)OC)C)[N+](=O)[O-] 1 1.714 3 5 0 -5.89344118309536 948803 CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC=CC=C3F 1 3.613 4 1 -5.9736697373354 948802 CC(C)CC(=O)N1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3 1 2.694 3 1 -3.0462307747755 948801 CN1C=NC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl 1 3 3 1 -2.43674570773373 948799 CC(=O)C(=NNC1=CC=C(C=C1)C(=O)O)C(=O)C 1 1.137 2 4 0 -1.82720041096473 948774 CC(C)(C)N1C=NC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.97 3 2 -3.22385191148901 948763 CC1=CC(=NN1)C(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.8 5 4 0 -6.69568515176398 948752 COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=N2 1 2.293 3 2 -10.6055314445224 948750 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=CO2)OC 1 1.832 1 6 0 -11.9387726085079 948749 C1=CC=C(C(=C1)CC2=NN=C(S2)NC(=O)NC3=CC=CC=C3F)F 1 3.367 4 1 -13.0266169546744 948738 CC1=NN(C=C1C=NNC(=O)C2=CC=CO2)C 1 1.011 4 2 0 -3.07402372735376 948737 C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)C2=CC3=C(C=C2)N=CN3 1 2.093 5 3 0 -9.34809135332612 948734 C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=N2)O 1 2.068 3 2 -7.20036893043575 948732 COC1=CC=CC=C1/C=C/C(=O)NC2=C(N=CC=C2)Cl 1 2.789 2 2 -4.65084140768735 948716 C1CCCC(=NNC(=S)NC2=CC=C(C=C2)Cl)CC1 1 4.931 3 0 -8.29460888643851 948706 CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CC=C4)C#N 1 1.954 5 1 0 -17.2011490986945 948704 C1=CC=C(C=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=CO4)[O-] 1 2.609 2 4 -5.23888104342663 948702 COC1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C(F)(F)F 1 2.149 2 2 -2.74223427219965 948690 COC(=O)C1=CC=C(O1)COC2=C3C(=CC(=C2)[N+](=O)[O-])C=CC=N3 1 2.806 2 6 0 -7.57391358181454 948676 C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=N2 1 2.31 3 1 -10.5329220494751 948670 CC1=CC=C(S1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3 1 2.297 4 1 -5.06848366037787 948639 CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NN 1 2.78 2 3 -1.8400737362554 948633 COC1=CC(=C(C=C1)O)/C=C(\C#N)/C(=O)NC2=CN=CC=C2 1 1.512 3 3 0 -8.68415370052628 948622 CC1=C(C=CC(=C1)C2=NC(=NO2)C3=CC=NC=C3)[N+](=O)[O-] 1 2.375 4 3 0 3.77774074601725 948617 CC1=CC(=CC=C1)NCC(=O)NN=CC2=CC=CN2C 1 2.421 4 1 -9.02296510386367 948613 CCCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)C 1 1.523 4 2 0 -5.84299796112265 948611 C1=COC(=C1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3 1 1.594 4 2 0 -7.21199646720092 948600 CC1=CC=CC=C1NC2=NC(=O)C3=C(S2)C=CC(=C3)[N+](=O)[O-] 1 3.987 3 3 -2.82540031267814 948599 C1=CC(=CN=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.491 6 2 0 -6.40210675064654 948598 C1=CC=C2C(=C1)C=C(O2)C(=O)NN=CC3=CN=CC=C3 1 2.127 3 2 -0.505964255641387 948588 COC1=CC(=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3)OC 1 2.166 4 3 0 -6.50751153957178 948573 C1=CC=C(C=C1)/C=C/C(=O)C2C(=O)C3=CC=CC=C3C2=O 1 3.163 0 3 0.383480687442944 948564 CC1=CC(=NC(=N1)NC(=O)NC2=C(C=C(C=C2)OC)OC)C 1 1.797 4 3 0 -11.192673951354 948558 C/C(=C/C1=CC=CC=C1)/C=NNC(=O)C2=NC=CN=C2 1 1.617 4 1 0 -9.88128794544235 948551 C1=CC(=CC=C1NC(=O)NC2=NN=C(S2)C3=CC=NC=C3)F 1 1.976 5 1 0 -4.83287600267346 948538 COC1=CC2=C(C=C1)OC=C(C2=O)C=NC3=NC=NN3 1 1.122 4 3 0 -1.03408620187029 948536 CC(=NNC(=O)C1=CC2=C(C=C1)N=CN2)C3=CC=CS3 1 2.132 4 1 -11.5235174224116 948526 CC1=C(C(=C(C(=S)N1)C#N)C2=CC=C(C=C2)F)C(=O)C 1 2.497 2 1 -5.5570346431249 948520 CC1=CC2=C(C=C1)OC=C(C2=O)C=NC3=NC=NN3 1 1.625 4 2 0 0.12586729915974 948518 CC(C)(C)NC1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-] 1 2.059 3 3 -3.29888595137133 948500 C1=CN=CC=C1C=NNC(=O)CN2C=NC=N2 1 -0.65 6 1 0 -13.7488806018868 948496 CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC)[O-] 1 2.311 2 4 -6.58563224728419 948494 CC1=CC=C(O1)C=NNC(=O)CSC2=CC=CC=N2 1 2.006 3 2 -10.7100432244773 948493 CN1C=NC(=C1OC2=CC=CC3=CC=CC=C32)[N+](=O)[O-] 1 2.949 3 3 2.3316799614426e-002 948487 C1=CC(=CC=C1C=NNC(=S)NC2=C(C=C(C=C2)Cl)Cl)F 1 5.62 3 0 -1.55017698301215 948464 C1=CC=C2C(=C1)/C(=C/C(=O)C3=CC=CS3)/C(=O)N2 1 2.57 1 2 -5.55011226107376 948450 COC1=CC=CC=C1NC(=O)NC2=NN=C(S2)C3=CC=CO3 1 2.3 4 3 0 -9.46517841075717 948446 C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)NN)N)N4CCOCC4 1 1.697 5 2 0 -8.03922175368594 948445 CC1=NN=C(S1)SCC(=O)NN=C(C)C2=CC=C(C=C2)Cl 1 2.456 4 1 -16.6279518233156 948433 COC1=CC=C(C=C1)CNC(=O)CSC2=CC=CC3=C2N=CC=C3 1 3.185 2 2 -12.5550920517608 948429 CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CCl 1 2.282 1 4 -1.588407254981 948417 COC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3)OC 1 2.166 4 3 0 -11.2991494547796 948415 C1CCCCCC(=NNC2=NNN=N2)CCCCC1 1 3.644 6 0 -4.69222745170621 948413 C1=CC=C(C=C1)N2C(=C(SC2=O)C=NNC(=O)N)Cl 1 1.696 4 2 0 -4.59014672473412 948408 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)C 1 3.88 1 3 -9.042856421946 948405 C/C(=C/C1=CC=CC=C1)/C=NNC(=O)C2=CC3=C(C=C2)N=CN3 1 3.005 4 1 -8.3769241973914 948382 CC(=NNC(=O)C1=NNC(=O)C1)C 1 -1.354 4 2 0 -14.7436904794435 948377 C1CN2C3=C(C=CC=C31)C(=O)C(=C2O)C(=O)NN=CC4=CN=CC=C4 1 1.743 4 3 0 -3.56861613961301 948369 CC1=CC(=NC(=N1)NN=C/C(=C/C2=CC=C(C=C2)C(C)C)/C)C 1 4.119 4 0 -5.43948141632843 948366 CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCN(CC4)CCO 1 3.302 4 1 15.0003326043896 948356 COC1=CC2=C(C=C1)N=C(C=C2Cl)Cl 1 3.537 1 1 2.42820226948332 948342 CC1=CC=C(C=C1)C=NNC(=O)CN2N=C(N=N2)N 1 0.851 7 1 0 -7.69707569864701 948341 CC(=NNC(=O)CN1N=C(N=N1)N)/C=C/C2=CC=CC=C2 1 0.803 7 1 0 -6.35372082093691 948325 CC1=NN(C=C1C=NNC(=O)CSC2=CC=CC=N2)C 1 1.397 5 1 0 -8.74567390829137 948318 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CC4=C(C=C3)OCO4 1 2.92 3 3 -6.84607834988151 948317 CC(C)CC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1N 1 2.037 3 2 -19.7610278656807 948314 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC3=C(C=CC(=C3)Cl)O 1 2.459 3 2 -2.57766204655623 948311 CCN1C(=C(C(=N1)C)C=NNC(=O)CSC2=CC=CC=N2)C 1 1.892 5 1 0 -12.9164499007617 948305 CC1=CC=C(C=C1)NC(=O)CN2C(=CC(=O)C3=C2C(=CC=C3)OC)C 1 3.186 2 3 -6.84269916955091 948297 C1=CC=C(C(=C1)C=NNC(=O)CN2N=C(N=N2)N)Cl 1 1.029 7 1 0 -5.93852288825228 948294 CC1=CC(=O)C2=CC=CC=C2N1CC(=O)NC3=CC=C(C=C3)OC 1 2.7 2 3 -5.02346474237967 948293 CC1=C(C2=C(N1C3=CC=CC=C3)C(=O)N(C=N2)CC#N)C#N 1 1.879 5 1 0 -6.6451455879201 948291 C1=CC=C(C=C1)C=NNC(=O)CN2N=C(N=N2)N 1 0.364 7 1 0 -7.86901951573136 948285 CC1=CC=CC=C1C=NNC(=O)CN2N=C(N=N2)N 1 0.851 7 1 0 -6.51211003761438 948279 CC1=NN(C=C1C=NNC(=O)CN2C=NC=N2)C 1 -0.567 7 1 0 -11.7947567767844 948273 C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCOCC3 1 1.806 3 3 0 -26.3775703706642 948261 COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C(=O)N3)N)OC 1 0.624 4 4 0 -7.26760391116761 948254 CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)O)[O-] 1 1.923 2 4 0 -3.46610701960629 948248 C1=CC(=C(C=C1Cl)Cl)C=NNC(=O)CN2N=C(N=N2)N 1 1.693 7 1 0 -3.7110132487763 948233 C1COCCN1NC2=C3C=CC=CC3=NC2=O 1 -0.317 3 2 0 -6.82588197473243 948220 C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=NNC(=O)CC#N)C#N 1 3.04 5 1 -10.3408489159133 948219 C1=CC=NC(=C1)C=NNC(=O)CN2C(=NN=N2)N 1 -1.082 8 1 0 -14.1167760930608 948214 C1CN2C3=C(C=CC=C31)C(=O)C(=C2O)C(=O)NN=CC4=CC=CC=N4 1 2.172 4 3 0 -2.14439421847448 948206 CC1=CC=C(C=C1)C=NNC(=O)CN2C=NC=N2 1 0.987 5 1 0 -13.5626305197486 948200 CC1=CC=CC(=N1)C=NNC(=O)CN2C(=NN=N2)N 1 -0.8 8 1 0 -15.0411794395064 948194 CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OC)[O-] 1 2.116 2 3 -4.94624247424053 948192 CC(C)C1=CC=C(C=C1)/C=C(\C)/C=NNC(=O)CN2N=C(N=N2)N 1 2.365 7 1 0 -8.75143459046794 948186 CCOC1=NC(=C2COC(CC2=C1C#N)(C)C)CC(C)C 1 3.548 2 2 -9.93415930577193 948177 CC1=CC2=C(C=C1)N=C3C2=CNNC3=O 1 0.564 3 1 0 -3.38802862271419 948176 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=CC=C3 1 2.68 3 1 -5.16448930478939 948166 CC(=NNC(=S)NC1=CC=C(C=C1)F)C2CC2 1 3.356 3 0 -8.05381663266974 948157 C1=CC(=CC(=C1)Cl)C=NNC(=O)CN2N=C(N=N2)N 1 1.029 7 1 0 -4.71177308391849 948154 CCOC(=O)CNC1=NC(=NC(=N1)N2CCCCC2)Cl 1 1.694 5 2 0 -6.32106052245016 948150 C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)OC(F)(F)F 1 6.215 2 1 -5.03139369784568 948149 CC(C)C1=CC=C(C=C1)/C=C(/C)\C=NNC(=O)CN2C=NC=N2 1 2.501 5 1 -14.6169894115696 948145 CCN1C(=C(C(=N1)C)C=NNC(=O)CN2N=C(N=N2)N)C 1 -0.209 9 1 0 -10.5523049613531 948144 CC1=CC=C(O1)C=NNC(=O)CN2N=C(N=N2)N 1 -9.5e-002 7 2 0 -7.99603055945884 948138 CCOC1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3 1 4.196 2 3 -9.78242473868959 948072 C1=CC=C2C(=C1)NC(=N2)NCC3=CC(=CC(=C3O)Cl)Cl 1 3.893 3 1 8.42905665926752 948075 CC1=NN(C=C1C=NNC(=S)NC2=C(C=C(C=C2)Cl)Cl)C 1 4.347 5 0 -0.596639553103286 948076 C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)CN3N=C(N=N3)N 1 1.273 7 1 0 -4.81957164290064 948092 C1=CC=C(C(=C1)C=NNC(=S)NC2=C(C=C(C=C2)Cl)Cl)F 1 5.62 3 0 -0.987021010373833 948094 CC1=CC(=NC(=N1)NN=C(C)/C=C/C2=CC=CC=C2)C 1 2.557 4 0 -2.22214944670928 948133 CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)O)[O-] 1 2.077 2 3 -2.28691765875412 948125 C1CC2=C(C3=CC=CC=C31)SC4=C2C(=O)NC(=N4)NN 1 2.324 4 1 -8.75315027755864 948123 C1=CC=C2C(=C1)C(=C(N2)C(=O)O)NC(=O)C3=CC(=CC=C3)C(F)(F)F 1 3.771 2 3 -1.59273837685796 948114 CC(=NNC(=O)CN1C=NC=N1)/C=C/C2=CC=CC=C2 1 0.939 5 1 0 -12.2192756420385 948103 CC1=CC(=CC=C1)NC(=O)CN2C(=CC(=O)C3=C2C(=CC=C3)OC)C 1 3.186 2 3 -5.37882075040119 948096 CC(C)C1=CC=C(C=C1)/C=C(/C)\C=NNC(=O)CN2C(=NN=N2)N 1 1.641 7 1 0 -16.6097734240819 948061 CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=C(C=C3)Cl)[O-] 1 2.643 2 3 -4.02469006680201 948048 CC1=CC(NC(=S)N1NC(=O)C2=CC=CC=C2Cl)(C)C 1 3.14 3 1 -8.11681649637216 948040 C1=CC(=CC=C1C=NNC(=O)CN2C=NC=N2)Cl 1 1.165 5 1 0 -11.7406318291618 948037 C1=CC(=CC(=C1)Cl)C=NNC(=O)CN2C=NC=N2 1 1.165 5 1 0 -10.5773279050201 948036 CC1=CC=CN2C1=NC(=C(C2=O)C=O)Cl 1 0.835 2 2 0 -8.21312383240542 948029 CN1C2=C(C=N1)C(=NC=N2)NNC(=O)C3=CC=CC=C3Cl 1 1.473 6 1 0 -3.37862737279049 948022 CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CON=C(C)C 1 -0.108 4 3 0 -8.83348434344972 948017 C1CN(CC2=C1C(=C(S2)N)C#N)C(=O)OCC3=CC=CC=C3 1 2.461 3 2 -8.16331875819787 948016 CC(=NNC(=O)CSC1=CC=CC=N1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.34 4 3 0 -13.8543555886219 948010 CCN1C(=C(C(=N1)C)C=NNC(=O)CN2C(=NN=N2)N)C 1 -0.933 9 1 0 -17.0044347890411 947994 CCN1C(=C(C(=N1)C)C=NNC(=O)CN2C=NC=N2)C 1 -7.3e-002 7 1 0 -15.9655327692547 947985 CC1=CC=CC2=C1N(C(=CC2=O)C)CC(=O)N 1 1.42 2 2 0 -4.65539428784652 947969 CCCN1C=C(C(=O)C2=CC(=C(C=C21)F)F)C(=O)OCC 1 3.014 1 3 -2.59854473576128 947964 COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C3=CC=CC=C3F 1 3.26 2 3 -7.10446140159532 947944 CC1=C(C2=C(N1C3=CC=CC=C3)C(=O)N(C=N2)CC4=CC=CC=N4)C#N 1 2.796 5 1 -7.69694142214924 947937 C1=CC=C(C(=C1)C=NNC(=O)CN2C=NC=N2)Cl 1 1.165 5 1 0 -11.8040777093539 947929 CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)F)CC=C 1 2.758 1 3 -5.46402135565763 947920 CC1=CC(=NC(=C1C#N)N2CCN(CC2)C3=CC=C(C=C3)F)C 1 3.863 4 0 0.3838371078281 947914 C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=CO4 1 3.305 3 2 -9.21058551702893 947912 C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)CN3C=NC=N3 1 1.409 5 1 0 -10.6851264640023 947900 C1=CC(=CN=C1)C=NNC(=O)CN2C=NC=N2 1 -0.65 6 1 0 -13.548214001687 947898 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=NNC(=O)CN4C=NC=N4 1 2.317 5 1 -10.6580827794184 947896 C1=CC=C2C(=C1)C=CC=C2C3=[N+](C4=CC=CC=C4N(C3=O)O)[O-] 1 2.499 2 3 -0.709904142550373 947889 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CN(N=C3C)C 1 2.084 5 1 -3.55085720751463 947879 COC1=C(C=C(C=C1)C(=O)/C=C/2\C3=CC=CC=C3NC2=O)OC 1 2.584 1 4 -6.75171716749208 947875 C1CC2=C(C1)N=C3C(=C2C4=CN=CC=C4)C(=C(S3)C#N)N 1 2.595 4 0 -0.201184800711865 947873 C1COCCN1C(=S)C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl 1 4.889 1 2 1.22288391185233 947870 CC(C)CC1=C2CCCCC2=C3C4=C(C(=O)N(C=N4)N)SC3=N1 1 3.63 4 1 -8.40536811457182 947860 C1=CC=C(C=C1)CNC(=O)CC(=O)NCC2=CC=C(C=C2)Cl 1 2.593 2 2 -5.60469666966211 947841 COC1=C(C=C(C=C1)C=NNC(=O)C2=NNC(=O)C=C2)OC 1 0.74 4 4 0 -17.3130876566222 947839 C1=COC(=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O 1 3.258 2 4 -8.24862541315322 947837 CC1=CC(=O)NC2=CC(=C(C=C12)C)NC(=O)CCl 1 1.838 2 2 0 -12.4239976782458 947836 C1=CSC(=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O 1 3.817 2 3 -9.88671256028719 947831 CC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)C=C2)C 1 1.676 3 2 0 -11.8899945688312 947823 CC(CO)(CO)NC(=O)C1=NNC(=O)C=C1 1 -1.718 3 4 0 -13.5190555520827 947821 COC1=CC=C(C=C1)CC(=O)NNC(=O)C2=NC=CN=C2 1 1.7e-002 4 3 0 -10.4252859757203 947816 CC1=CC2=C(C=C1)NC(=C2NC(=O)OC3=CC=CC=C3)C(=O)OC 1 4.096 2 4 -1.85714623981564 947811 COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)OC3=CC=CC=C3 1 4.274 2 4 -0.544313368569658 947809 CC1=CC(=CC=C1)CSC(=C(C#N)C#N)NC2=CC=C(C=C2)F 1 4.855 3 0 -8.40025495693971 947806 CCC1=NC2=CC(=NN2C3=NC4=CC=CC=C4N13)C 1 2.802 5 0 -5.32341890675909 947805 C1=CC=C2C(=C1)N(C(=O)C=[N+]2[O-])OCC3=C(C=CC=C3F)F 1 1.872 2 3 0 -4.5881517124561 947789 CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)C(=O)O)C 1 3.621 2 2 -12.1967012567206 947780 C1=CN=CC=C1C=NNC(=O)CN2N=C(N=N2)N 1 -0.786 8 1 0 -7.88332578078515 947773 CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=C(C=C3)F)[O-] 1 2.184 2 3 -5.13481173192358 947763 CC1=CC(=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)F)C 1 5.594 2 0 -8.4901452403384 947754 CC1=CC(=C(C=C1)C)NCC2=CC3=C(C=CC(=C3)OC)NC2=O 1 3.56 2 2 -2.6970051623401 947732 C1CN=C(N1)C(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)Cl 1 1.889 4 1 0 -9.11817122589915 947703 CC1=CC(=CC=C1)OCC(=O)NN=CC2=CC=CN2C 1 2.595 3 2 -7.17677040312486 947693 C1=CSC(=C1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)Cl 1 4.365 4 0 -2.59275841862617 947668 CC1=CC2=C(C=C1)NC(=C2NC(=O)NC3CCCCC3)C(=O)OC 1 3.731 3 3 -6.52634000543122 947664 C1=COC(=C1)CNC(=S)NC(=O)C2=CC=C(C=C2)Br 1 3.425 2 2 -10.8845240831447 947660 C1=CC=C(C(=C1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3)C(F)(F)F 1 3.141 4 1 -5.50979249116524 947659 C1=CC=C(C(=C1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3)[N+](=O)[O-] 1 2.093 5 3 0 -8.27087675716084 947655 C1=CC=C(C(=C1)C(=O)NCC2=NC3=CC=CC=C3N2)F 1 2.535 3 1 -9.01989168587371 947654 C1=COC(=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)Cl 1 3.806 4 1 -0.175538018099564 947653 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCCCC2 1 2.448 1 4 -11.1374428562013 947650 CC1=CC=C(O1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3 1 1.739 4 2 0 -7.16611665264631 947646 C1=CC(=C(C=C1C=NNC(=O)C2=CC3=C(C=C2)N=CN3)[N+](=O)[O-])Cl 1 2.757 5 3 0 -8.34120464413438 947642 C1=CC=C2C(=C1)C=C(O2)C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-] 1 2.692 3 5 0 -0.598815847793499 947641 C1=CC(=C(C(=C1)Cl)Cl)C=NN2C(=NNC2=S)C3=CC=CO3 1 4.471 4 1 0.777512516329478 947633 COC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 3.658 2 2 -9.67317164790617 947630 CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NN)C)Cl 1 1.666 4 1 0 -7.36479028213598 947624 CC1=CC=CC=C1OCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 2.419 3 5 0 -4.53920133915148 947598 CC1=CC=CC=C1N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)C(C)C 1 3.738 2 2 -12.6197947061574 947595 CC(C)C[C@@H](C(=O)O)NC(=O)NC1=CC(=CC=C1)Br 1 2.892 2 3 -11.7028526796143 947570 CC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3 1 3.17 1 2 1.17733932635957 947562 CC(C)ON1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(C)C 1 2.074 3 3 -15.8358987704164 947561 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=CN3C=C(C=CC3=N2)C 1 2.818 3 2 -9.64430716200024 947547 CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)NC(C)C 1 2.461 3 3 -12.8441667683825 947543 CC1=NN2C(=NC3=C(C2=NC1=O)C4=C(S3)COC(C4)(C)C)C 1 1.337 4 2 0 -18.5171669236171 947541 CC1=NC=C(C=C1)C(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)Cl 1 3.684 3 2 -1.07979572118226 947522 C1=CC=C(C=C1)CNC2=C3C(=NC=N2)OC4=C(C=C(C=C4)Cl)C=N3 1 4.512 4 1 2.06201101331248 947501 CCC(=O)NC1=CC2=C(C=C1)N(C=N2)C 1 1.338 3 1 0 -3.91027245999802 947495 COC(=O)C1=CC=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3 1 2.054 4 3 0 -9.50312655920814 947494 CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC4=CC=NC=C4 1 4.083 3 1 0.382740183018933 947490 CN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCC3)C#N)[N+](=O)[O-] 1 2.179 5 3 0 -20.1845358893966 947481 C1=COC(=C1)CNC(=O)/C=C/C2=CC=CO2 1 1.666 1 3 0 -8.41323315704927 947476 CN1C2=C(C=N1)C(=NC=N2)NNC(=O)CC3=CC(=C(C=C3)OC)OC 1 0.81 6 3 0 -7.43796646660429 947463 CC(=O)C1=C(C2=CC=CC=C2N1C)OC(=O)C3=CC=CC=C3 1 3.792 1 3 -5.3972446964122 947453 CCOC(=O)C1=C(N=C(S1)NC2=CC=C(C=C2)Br)C 1 3.266 2 2 -5.51610622668032 947451 CC1=CC=C(N1C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3)C 1 3.781 2 1 -7.72916438903997 947437 CN1C=NN=C1SCC2=CC(=C(C=C2)OC)F 1 2.255 3 1 -13.627232001254 947436 C1=CC=C(C=C1)C2=CSC3=C2C(=O)OC(=N3)C4=CC=CC=C4F 1 4.651 1 2 -2.34683099090587 947413 CC1=C2CCCCC2=C3C(=C(SC3=N1)C(=O)N)N 1 2.083 3 1 -6.19021250470924 947404 C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C=NO 1 1.731 1 3 0 6.119444930742 947382 C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CC=CC=C4)NN 1 3.93 4 0 1.86792136850799 947379 CCCC(=O)NC1=C(C(=C(S1)C)C)C(=O)NC2=CC=CC(=C2)C 1 3.762 2 2 -14.4086571729721 947326 CC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC=C(C=C1)S(=O)(=O)N 1 0.685 3 5 0 -21.7066693318495 947334 COC(=O)C1=CC=C(C=C1)OC2=NC(=CC(=N2)C(=O)N)C3=CC=CC=C3 1 3.365 3 4 0 -3.0007049166774 947363 CC1=CC=C(O1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC 1 1.935 1 6 0 -15.3140434131972 947342 CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC4=CC=CC=C4N3 1 4.123 3 1 -0.143820000179672 947297 C[C@@H](C(=O)O)NC(=O)N1CCC(CC1)CC2=CC=CC=C2 1 2.198 2 3 -7.73176399580294 947221 C1CCC2=C(CC1)SC3=NC=NC(=C23)NC(=O)C4=CC=C(C=C4)F 1 4.48 3 1 -9.29077821031716 947170 CCN1C2=NC3=CC=CC=C3C=C2C(=N1)NC(=O)C4=CC=CS4 1 3.691 4 1 -5.8923957858189 947119 C1C(=C(N(C1=O)C2=CC=C(C=C2)F)N)C#N 1 0.85 3 1 0 -4.30433463525978 947104 CC1=NC2=C(C(=N1)OC)SC3=NC4=C(COC(C4)(C)C)C=C23 1 2.671 3 2 -14.791098041164 947089 CCN1C(=C(SC1=S)C(=O)OCC)NC(=O)C2=CC=CC=C2 1 3.674 2 3 -9.90737644655747 947086 CC1=NC2=C(C(=C1C#N)C3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C42 1 3.864 2 2 0.696868989135175 947085 C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)F)O 1 1.796 2 3 0 -1.57504063328887 947080 C1=CC=C(C=C1)CC(=O)NNC(=O)C2=NC=CN=C2 1 3.3e-002 4 2 0 -10.8271346713557 947067 CC(C)(CNC(=O)NC1=CC(=C(C=C1)Cl)Cl)O 1 2.318 2 2 -4.16867586992951 947052 CC1=NC(=NC2=CC=CC=C12)NC3=NC(=O)C=C(N3)COC 1 1.221 5 2 0 -8.08488596672922 947049 C1=CC(=CN=C1)CSC2=C(C=CC(=N2)C3=CC=CS3)C#N 1 3.972 3 0 -8.87194866666193 947023 C1=CC(=CC(=C1)Cl)NC(=O)C2=NNC(=O)C=C2 1 1.368 3 2 0 -8.89321049748568 947014 COC1=C(C=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OC)[O-])OC 1 1.597 2 5 0 -8.9406528598742 947006 CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)CN3CCC(CC3)C(=O)N 1 1.975 3 2 0 2.31260449763646 947002 CON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=C(C=C3)F)[O-] 1 1.835 2 3 0 -4.23436544877528 946998 C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)O)C3=CC=CC=C3 1 4.58 2 2 -11.5490456478435 946992 CC1=CC(=O)OC(=C1C(=O)N2CCCCC2)C 1 1.574 1 3 0 -10.2023344652753 946987 CN1C=CC=C1/C=C\2/C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F 1 3.349 3 2 -1.59401811867527 946983 CC1=CC(=NC(=C1C#N)OC2=CC=CC=C2)C 1 3.426 2 1 -1.78230607818549 946982 CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)CN3CCC4(CC3)OCCO4 1 2.566 2 3 0.109629899948357 946953 CC(C)(CO)NC1=NC(=NC(=N1)NC2CCCCC2)Cl 1 2.417 5 1 -6.73880194874836 946949 CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=C(C=C3)C)[O-] 1 2.465 2 3 -5.84668875738883 946943 CC(C)OC1=NC(=NC2=CC=CC=C21)C3=CC(=CC=C3)OC 1 4.24 2 2 8.58833315796453 946930 C1=CC=C(C=C1)NC2=NN=C(S2)C3=CN=CC=C3 1 1.991 4 0 0 -1.78311712813482 946925 CCOC1=CC=C(C=C1)CNC(=S)NN=CC2=CN=CC=C2 1 2.996 4 1 -7.56549913841203 946916 CCOC(=O)C1=CSC(=C1C2=CC=C(C=C2)[N+](=O)[O-])N 1 2.486 2 4 -1.4493072428273 946909 CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC=CC4=CC=CC=C43)[O-] 1 2.887 2 3 -4.26967524118508 946898 CCN(CC)CCN1C2=CC=CC=C2C3=CN=C(C(=C31)C#N)N 1 2.886 5 0 -2.93925753883432 946890 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=C(C=C3)C(C)C 1 3.874 3 1 -4.540672794041 946874 COC(=O)CSC1=NC2=CC=CC=C2N=C1SCC(=O)OC 1 2.87 2 4 -10.065509869143 946864 CC(C)[C@@H](C(=O)O)NC(=O)NC1=CC=CC=C1F 1 1.96 2 3 0 -15.4593358368777 946848 CC(C)[C@@H](C(=O)O)NC(=O)N1CCC(CC1)CC2=CC=CC=C2 1 3.041 2 3 -11.3310630310462 946775 CN1CCC2=C(C1)SC3=NC(=NC(=C23)N)SC 1 2.193 4 0 -2.90580862424911 946759 CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)N)OC3=CC=CC=C3 1 1.718 4 3 0 -14.2705204356234 946749 C1COCCN1C(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F 1 3.079 1 3 2.62969060952343 946694 C1NC(=NCN1CC2=CC=CC=C2)NC3=NC4=CC=CC=C4S3 1 3.337 5 0 -0.29385916133687 946666 CN(C)C(=S)NC1=NC2=CC=CC=C2S1 1 3.201 3 0 -1.18028975747158 946659 COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Cl 1 3.032 2 2 2.25126238068053 946642 CC1=CC2=C(C=C1)C(=NC(=N2)NC3=NC=C4C(=N3)CC(CC4=O)(C)C)C 1 3.319 5 1 -8.94322340905573 946615 CC1=CC=C(C=C1)N2C(=NN=N2)SC3=NC(=NN3C)[N+](=O)[O-] 1 2.786 8 2 0 -10.9672375855174 946613 CC(C)C[C@@H](C(=O)OC)NC(=O)NC1=CC=CC=C1F 1 2.574 2 3 -15.867696030228 946607 COC1=CC=C(C=C1)C2=NC3=NC4=CC=CC=C4N=C3N2CC=C 1 3.935 4 1 -3.89818265591446 946556 CC(C)(C)C(=O)NC1=NN=C(S1)CC(=O)NCC2=CC=CC=C2 1 2.203 4 2 -23.7699573139712 946539 CN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=O)C3=CC=CS3 1 2.147 2 3 -9.0955919744892 946523 CC1(CN2C(=NN=C2S1)C3=CC=CC=C3)C 1 2.809 3 0 -0.803512223017477 946508 CCCC(=O)N(CC1=CC(=O)NC2=CC=CC=C21)C3=CC=CC=C3 1 3.245 2 2 -14.0068316206381 946504 CNC(=O)/C(=C/C1=CC=C(O1)C2=NC3=CC=CC=C3S2)/C#N 1 3.04 3 2 -8.31996995415418 946469 CCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)C4=CC=CC=C4 1 4.223 4 1 -5.56152895331131 946446 C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC3=NC=CS3 1 2.711 3 4 0 -2.66219041726951 946369 CCN(CC)C(=O)CN1C2=CC=CC=C2N(C1=O)C 1 1.068 3 2 0 -14.9795546392722 946347 CC1=CC(=NC(=N1)NC2=NC3=CC=CC=C3C(=N2)C)C(F)(F)F 1 3.5 5 0 0.173150097010848 946346 C1COCCN1CC2=CC(=O)OC3=C2C=C(C=C3)O 1 1.379 1 4 0 -4.03746511687031 946338 CNC(=S)NN=CC1=CC=C(O1)C2=CC=C(C=C2)C(=O)O 1 3.066 3 3 -5.87464526960141 946310 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NC4=CC=CC=C4F 1 3.515 4 0 8.33295951233993 946304 CC1=NC(=NN1)NC(=O)/C=C/C2=CC=CC=C2 1 1.624 4 1 0 -4.04939998192342 946302 COC1=CC=C(C=C1)C=NNC(=O)CCN2C3=CC=CC=C3N=N2 1 2.577 5 2 0 -15.7072360529733 946288 CCC(=NNC(=O)C1=NNC(=C1)C2CC2)C3=CC=CC=C3 1 3.106 4 1 -8.28387774258895 946287 CCN1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 2.064 6 0 5.55091748229323 946260 CC1=CC(=CC(=C1)N2C(=C3C(=NN=C(C3=C2C)C)C)C)C 1 3.825 3 0 0.299319592497111 946251 C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NN=CC3=CC=CO3 1 3.645 2 3 -5.99890492701716 946250 C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NN=CC4=CC=CC=C4 1 3.133 4 3 0 -1.9358744154486 946241 CCOC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=C(C=C3)Cl)C#N 1 4.631 3 2 3.18209946808164 946228 COC1=CC=C(C=C1)C=NNC(=O)CCN2C=NC3=CC=CC=C32 1 2.488 4 2 -10.6373942597399 946226 CN(CC1OCCO1)CC(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)F 1 1.504 3 3 0 -1.68220169249984 946223 COC1=CC=CC(=C1)C=NNC(=O)CCN2C3=CC=CC=C3N=N2 1 2.577 5 2 0 -15.347934872204 946221 CC1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)OC)C#N 1 3.399 3 2 -2.74852917644034 946220 COC1=CC=C(C=C1)NC(=O)C2=COC(=O)C=C2 1 1.052 1 4 0 -7.15498798284682 946216 CCC1=C(N=C2C(=C1N)C3=C(S2)CCCC3)C4=CC=CC=C4 1 5.266 2 0 -1.09154435030017 946212 CC1=CC(=NC=C1)NC(=O)/C=C/C2=CC=CC=C2Cl 1 3.621 2 1 -0.745251360296827 946201 COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=CC=C3Cl)C#N 1 4.282 3 2 1.9737772450168 946200 C1CCC(=CC1)CCNC(=O)CN2C=C(C(=N2)[N+](=O)[O-])Cl 1 2.965 4 3 0 -15.4059823327601 946195 C1CC1C2=CC(=NN2)C(=O)NN=CC3=CC=CC4=CC=CC=C43 1 3.367 4 1 -2.8764777913816 946182 COC1=CC=CC=C1C=NNC(=O)CCN2C=NC3=CC=CC=C32 1 2.488 4 2 -10.4308116602582 946181 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC(C)C 1 2.764 5 0 4.06003220101641 946161 CSC1=NC2=CC=CC=C2N1CC3=CC(=CC=C3)[N+](=O)[O-] 1 4.112 3 2 -6.41134361710381 946158 C1=CC(=CC=C1C(=O)CN2C(=NC(=N2)Cl)Cl)[N+](=O)[O-] 1 2.677 4 3 0 -4.89345072226095 946154 C1=CC(=C(N=C1)Cl)NC(=O)C2=COC(=O)C=C2 1 0.791 2 3 0 -7.36832171570268 946135 C1=COC(=C1)/C=C(/C(=O)N)\C(=S)N 1 0.525 2 2 0 -2.57588266328974 946129 COC1=CC=CC(=C1)C=NNC(=O)CCN2C=NC3=CC=CC=C32 1 2.488 4 2 -10.2780930789706 946122 C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CC(=NC4=CC=CC=C43)Cl 1 5.23 1 2 -6.01892441166363 946098 COC(=O)C1=CN(C(=O)C(=C1)Br)CCN2CCCC2 1 0.75 2 3 0 -5.8733223379802 946090 C1=C(SC(=C1)Br)C=C2C(=O)NC(=S)NC2=O 1 2.285 2 2 -0.410855060372694 946072 C1CC1C2=CC(=NN2)C(=O)NN=CC3=C(C=CC=C3Cl)F 1 3.329 4 1 -7.47516595239935 946069 CC(C)C(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)NC(=O)C(C)C 1 3.992 2 2 -7.81018607948395 946068 CC1=C(C2=C(N1)C=CC(=C2)OC)C3=CSC(=N3)NC 1 2.532 3 1 3.5139548805555 946051 CC(C)COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN 1 2.198 4 2 -3.11738256591238 945988 CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCC5=CC=CC=C5C4 1 4.044 4 1 3.06738451777755 945946 C/C(=C/CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)/Cl 1 1.424 5 2 0 -5.64230352879823 945932 COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3N4CCCC4 1 4.129 2 2 -4.29874382907422 945928 C1=CC=C2C(=C1)C=CC(=N2)C3=NNC(=S)N3C4=CC=C(C=C4)F 1 4.498 4 0 -1.44748404280354 945916 CC1=CC=CC2=C1NC(=O)C(=C2)COC(=O)COC 1 1.21 1 4 0 -10.5186924628609 945887 CC1=CC2=C(C=C1)C=C(C(=O)N2)COC(=O)C3=CC=CO3 1 2.532 1 4 -6.07551479573573 945874 CCCC1=C(C(=C2NC3=CC=CC=C3N2C1=O)C#N)C 1 3.339 3 1 -6.41459615060167 945870 COC1=CC=CC2=C1C3=C(N2)C(=O)N(C=N3)CCCN4CCOCC4 1 1.413 4 3 0 -6.40407485879175 945843 CN(C)C1=NC(=NC(=N1)N2CCOCC2)OC3=NNC(=O)C=C3 1 -7.4e-002 7 3 0 -12.3033510356522 945821 CCC1=CC=C(O1)CCC(=O)NC2=C(C=C(C=C2)C)C 1 3.864 1 2 -9.09409830568412 945807 CC1=NC(=NC2=CC=CC=C12)NC3=NC=C(C(=N3)C)C(=O)C 1 1.869 5 1 0 -6.22770072645772 945804 CCN1C2=C(C=C(C=C2)OC)C3=NC4=CC=CC=C4N=C31 1 3.953 3 1 0.317471300655107 945786 CCCC(CCC)N1C2=C(C(=CC(=N2)C)C)C(=O)N1 1 3.856 3 1 -5.08942437236797 945763 CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)C4=CC=CC=N4 1 2.79 3 2 0.4679460853807 945758 CC1=NC(=NC=C1)NC2=NC3=CC=CC=C3O2 1 1.835 4 1 0 -2.63942899950315 945751 CC1=CC(=CC=C1)N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)C(C)C 1 3.738 2 2 -9.17163227728332 945718 COC1=CC(=C(C=C1)NC(=S)NC2=CC=CC=C2OC)OC 1 4.317 2 3 -8.35218322449674 945704 CCCN1C(=NC2=NC3=CC=CC=C3N=C21)C4=CC=CS4 1 4.161 4 0 -5.58025139086232 945692 C=CCN1C2=C(CCCC2)C(=S)N=C1C3=CC=CC=C3 1 4.207 2 0 -12.3293703666756 945686 COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NC4=CC=CC=C4)OC 1 2.821 3 3 -5.1160497737594 945676 CCC1=NN=C(S1)NC(=O)CCC(=O)NC2CC2 1 0.265 4 2 0 -19.3087074607451 945667 COC1=CC=C(C=C1)C(=O)N2C(=C(C(=N2)C#N)C#N)N 1 1.476 5 2 0 -7.46884144449069 945661 CSC1=CC=CC=C1C(=O)NC2=NC(=O)C3=CC=CC=C3N2 1 2.815 3 2 -13.9698218457555 945657 C1NC(=NCN1CCC2=CC=CC=C2)NC3=NC4=CC=CC=C4S3 1 3.658 5 0 0.33557781424758 945654 CC(C)(C)C(=O)NC1=NN=C(S1)CSCC2=CC=CC=C2F 1 3.501 3 1 -19.3090870585755 945648 C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CN4C=CC=CC4=N3 1 2.551 3 2 -12.1750380061926 945634 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCCCC2 1 1.354 4 2 0 -19.2867279104038 945617 CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCC(=O)O 1 2.061 3 3 -11.4476386734334 945585 CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CN=CC=C3)C#N 1 3.726 4 1 0.754955931593214 945568 CC(C)NC1=NC2=NON=C2N=C1NC3=CC=CC=C3 1 1.543 6 1 0 -10.6471665074677 945564 COC1=CC2=C(C=C1)NC3=C2N=CN=C3NCCC4=CCCCC4 1 4.159 4 1 1.87664511054245 945544 CN(C)C(=O)C1=CC=C(C=C1)N2C3=C(CCCC3)C(=N2)C(F)(F)F 1 4.224 3 1 -3.68147113991666 945543 CN(CC1=CC2=CC=CC=C2NC1=O)C(=O)C3=CC=CS3 1 2.163 2 2 -10.4035151393428 945536 CC(C)C[C@@H](C(=O)OC)NC(=O)NC1=CC=C(C=C1)S(=O)(=O)N 1 1.074 3 5 0 -19.1560020921252 945535 CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCC(CC2)C 1 1.606 4 2 0 -21.9758375143083 945517 CCN(CC1=CC(=O)NC2=CC=CC=C21)C(=O)C(C)C 1 2.024 2 2 -11.1949504234934 945500 CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3NCCC(C)C 1 3.761 4 1 -0.577424153999851 945490 CC1=C(C(=NN1CC(=O)NN=CC2=CC=CS2)C)[N+](=O)[O-] 1 1.46 5 3 0 -11.5783586851595 945489 CNC(=O)CN1C2=CC=CC=C2N(C1=O)C 1 0.164 3 2 0 -12.0690195498173 945468 CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=O)C=C2 1 2.171 2 3 -11.0533599239205 945449 CC1(CC2=C(CO1)SC3=C2C(=O)OC(=N3)C4=CC=C(C=C4)F)C 1 3.672 1 3 -17.2353007421558 945443 CCCC1=NC(=NC(=C1C(=O)OCC)C)NC2=NC3=CC=CC=C3O2 1 3.444 4 3 0 -4.4005244852044 945414 CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCOCC3)C 1 2.593 1 3 -5.12001747060715 945378 CC1=C(C(=O)N=C(N1)N2CCC3=CC=CC=C32)CCC(C)C 1 3.686 3 1 -13.3260679804587 945377 CC(C)C[C@@H](C(=O)O)NC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 3.703 2 4 -11.423305925519 945362 CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCOCC3 1 1.57 3 4 0 -7.41335436631771 945344 C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=O)N=CN4)C5=CC=CC=C5 1 4.412 3 1 -2.98587947423208 945337 CC1=CC=C(C=C1)C2=C3C(=CC(=[N+]2[O-])C)OC4=C3C=C(C=C4)OC 1 4.038 1 3 4.16556817578895 945330 C1=CC=C2C(=C1)C=C(C(=O)N2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.545 2 5 0 -10.4086023373237 945317 CCOC1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)CCCC3 1 2.726 3 2 -10.4833990392528 945295 COC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=NC=CC=N3 1 2.783 5 1 -8.94137095640332 945291 COC1=CC=CC(=C1)CNC(=S)NC2=CC=C(C=C2)CC(=O)OC 1 3.969 2 3 -13.8089565643051 945258 CC(C)[C@@H](C(=O)O)NC(=O)NC1CCN(CC1)CC2=CC=CC=C2 1 -1.162 3 3 0 -11.9825144573832 945254 CC1=CC2=NC(=S)N(N2C=C1)C(=O)C3=CC=C(C=C3)F 1 2.923 3 1 -5.52848732423096 945245 CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)OC 1 3.145 2 3 -11.4471728707729 945244 CC1=CC(=C(C=C1)NC(=O)N[C@@H](CC(C)C)C(=O)O)C 1 3.116 2 3 -17.0511491400078 945223 CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)F)CCC(C)C 1 3.611 3 1 -7.2937971422183 945213 CC(=NOC1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3)C 1 -9.6e-002 6 3 0 -1.3082610971256 945206 CC(C)(C)C(=O)NC1=NN=C(S1)COC2=CC=C(C=C2)Cl 1 3.395 3 2 -12.9594185541089 945192 C1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 5.967 3 0 -7.69869322011619 945164 CC1=NC2=C(S1)NC3=C2C=C(C=C3)Br 1 3.094 2 0 4.26421336752832 945145 C1=CC=C(C=C1)C(CC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3 1 4.019 1 3 -10.2551419307667 945142 CC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC=C(C(=N3)C)C(=O)C 1 2.355 5 1 -4.83191415184349 945133 C1=CC=C(C(=C1)CNC2=C(N=C(O2)C3=CC=CO3)C#N)Cl 1 3.536 3 2 -3.70587213756548 945090 CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCCCC3 1 2.469 5 1 -21.2418669742664 945088 CCC1=C(NC(=NC1=O)NC2=NC3=C(C=CC(=C3)OC)C(=N2)C)C 1 2.587 5 2 0 -8.0059058293729 945079 CC1=CC(=O)N=C(N1)N2CCN(CC2)CC3=CC=CC=C3 1 1.509 4 1 0 -7.00097274638393 945077 COC1=C(C=C(C=C1)CCNC(=O)C2=CSC3=C2CCCC3)OC 1 3.955 1 3 -12.3202162271809 945052 C1COCCN1C(=O)CSC2=NNC(=N2)C3=CC=CC=C3 1 1.531 4 2 0 -8.63713672708398 945042 CCOC1=CC=C(C=C1)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O 1 2.8 2 4 -10.6239388757879 944995 C1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=CC=C(C=C3)F 1 1.667 2 3 0 -6.17003127037609 944993 CCC1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC=C(C=C2)OC 1 1.342 4 3 0 -21.3533440740527 944986 CN1C(=NN=C1SC)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 3.193 4 1 -5.7522928190582 944983 CC1=CC(=C(C=C1)C)N2CC3=C(C=CC(=C3)NC(=O)C)OC2 1 3.453 2 2 -4.07645646982013 944946 CCC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C 1 1.838 4 2 0 -14.505008467565 944935 CC1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N 1 2.268 6 1 0 -2.45456476737154 944930 CC1=[N+](C(=C2C(=C1)OC3=C2C=C(C=C3)OC)C4=CC=C(C=C4)Cl)[O-] 1 4.216 1 3 6.17586346070957 944882 C1=CC=C(C(=C1)C#N)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl 1 4.363 2 2 0.566525855933363 944851 C1=CC=C2C(=C1)N=C(S2)NCC3=CC=CO3 1 2.557 2 1 2.39835800850221 944850 CCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)C 1 3.083 4 1 -4.50956130982713 944832 C1=CC2=C(C=C1Cl)C3=C(N2)C(=S)N=CN3 1 2.898 3 0 1.26791546352202 944822 CN1C(=O)C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3Cl 1 3.224 2 2 -4.59926999804467 944813 C1=CC=C(C=C1)C2=C(N=CS2)C(=O)O 1 2.153 1 2 -3.38362683849074 944801 COC1=CC=CC(=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.697 2 5 0 -0.468840881793333 944731 COC1=CC2=C(C=C1)C(=CN2)C(=O)CN3CCSCC3 1 2.285 2 2 8.33029344635131e-002 944721 CC(C)COC1=NC2=CC=CC=C2C(=O)N1OCC(=O)O 1 2.197 2 5 0 -11.4367384332895 944716 COC1=CC(=CC(=C1)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC 1 2.435 2 5 0 -12.7312689205238 944701 COC1=CC2=C(C=C1)NC(=O)C(=C2)COC(=O)C3=CC=CO3 1 2.03 1 5 -5.95268612453495 944687 CCCN1C2=NC3=CC=CC=C3C=C2C(=N1)NC(=O)C4=CC=CO4 1 3.656 4 2 -4.8411598369335 944686 CCC1=CC=C(O1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N 1 3.94 2 2 -20.7318834334165 944669 C1=CC=C(C=C1)C(=O)NC2=NNC(=N2)C3=CC=C(C=C3)Cl 1 3.485 4 1 -0.30277367038277 944661 COC1=CC2=C(C=C1)OC3=C2C(=[N+](C=C3)[O-])C4=CC=CC=C4 1 3.269 1 3 3.90337940455731 944649 CSC1=NNC2=NC3=C(C(=O)N21)C4(CCCC4)CC5=CC=CC=C53 1 3.804 4 1 -11.8857949321226 944643 CC1=CC=C(C=C1)NC2=NC=C3C(=N2)CC(CC3=O)(C)C 1 2.957 3 1 -9.83955598768737 944635 CC1=CC=CC2=C1N=C(N=C2C)NC3=NCN(CN3)CC4=CC=CC=C4 1 3.56 6 0 -3.83475135218063 944624 CCCC1=NN=C(S1)NC(=O)CCC(=O)NC2CCCCC2 1 2.09 4 2 -17.6447818496722 944607 COC1=CC=CC=C1CNC(=S)NC2=CC=C(C=C2)CC(=O)OC 1 3.969 2 3 -15.779280700269 944598 C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C(=O)NCC3=CC=CO3 1 3.672 1 3 -0.63832386641111 944534 CN(C)CCSC1=NC(=NC2=C1CCCC2)C3=CC=CC=C3 1 4.411 3 0 0.775468498065531 944522 CN1C=CN=C1SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N 1 1.785 7 1 0 -3.56488628509278 944503 C1NC(=NCN1CC2=CC=CC=C2)NC#N 1 1.068 5 0 0 -4.91888337424621 944493 C1=CC=C(C=C1)N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)CCl 1 2.655 2 2 -10.343761124386 944480 CC1=CC(=NC2=C1C=C(C=C2)OC)SCC(=O)NN 1 1.929 3 2 0 -3.33515317620595 944470 CC1=CC(=CC=C1)NC(=O)C2=C(C(=NN2C)C(C)(C)C)[N+](=O)[O-] 1 3.765 4 3 0 -0.790201689017983 944467 CN(C)C(=S)NC1=NC2=C(S1)C=C(C=C2)OC 1 3.184 3 1 -3.02938757311617 944425 CCC(=O)NC1=NN(C2=C1C=C3C=C(C=CC3=N2)C)CC(C)C 1 4.069 4 1 -4.23767612265403 944388 C1=CC(=CC=C1SC2=NC3=C(N2)C(=NC=N3)N)Cl 1 2.879 5 0 3.54089266064302 944383 C1=CC=NC(=C1)CNC2=C3C(=CSC3=NC=N2)C4=CC=CS4 1 3.579 4 0 -3.0010027040807 944369 CC1=CC(=C(C=C1)C)N2C(=NN=N2)SC3=NC(=NN3C)[N+](=O)[O-] 1 3.272 8 2 0 -10.7060990418378 944360 CC1=CC=C(C=C1)N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)C(C)C 1 3.738 2 2 -8.86824620997106 944347 CC1CCN(CC1)C(=O)N[C@@H](CC(C)C)C(=O)OC 1 2.167 2 3 -18.4198603831948 944343 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=CC=C2 1 2.06 4 2 -11.187331378328 944335 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NC2CCCCCC2 1 2.552 4 2 -17.1703099706296 944334 C/C(=C/CN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)C)C)/Cl 1 1.63 5 2 0 -12.1215970311563 944329 CC1=CC2=C(C=C1)C=C(C(=O)N2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.032 2 5 0 -11.5141892852084 944292 CC1=CC=CC=C1NCC2=CC3=C(C=CC(=C3)OC)NC2=O 1 3.074 2 2 -3.82304424108922 944284 CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=CC=C4 1 3.96 2 2 -1.31579741592119 944281 CC1=CC2=C(C=C1)N=C(N=C2C)NC3=NCN(CN3)CC4=CC=CO4 1 2.741 6 1 0 -2.72133662766338 944279 C1=CC=C(C=C1)C(=O)/C(=C\2/N(C(=CS2)N)C3=CC=CC=C3)/C#N 1 3.46 3 1 -7.0176274320025 944274 CC1=CC=CC=C1N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)C 1 2.608 2 2 -11.9623675135993 944250 CC1=NC2=C(C=C(C=C2)F)C(=C1)C(=O)NCCC3=CC=CC=C3 1 3.617 2 1 -4.18054551861378 944219 CC1CCN(CC1)C(=O)N[C@@H](C(C)C)C(=O)OC 1 1.778 2 3 0 -21.0567232332583 944184 COC1=CC=CC=C1NC(=S)NCCC2=CC=C(C=C2)Cl 1 5.065 2 1 -8.14939722579306 944164 C1CCC(=CC1)CCNC2=NC=NC3=C2NC4=CC=CC=C43 1 4.175 4 0 -0.713224376898739 944158 CC(C)C1=C2CCCCC2=C3C4=C(C(=O)N=CN4)SC3=N1 1 3.877 3 1 -6.19778192151663 944146 COC1=CC=CC(=C1)N2CN(CNC2=S)C3CCCCC3 1 4.629 3 1 -4.2149496971367 944145 COC1=CC=CC2=C1C3=C(N2)C(=O)N=CN3 1 1.318 3 2 0 -3.32037304126443 944135 C1=CC(=CC=C1SCC2=CC(=O)N3C(=N2)N=CN3)Cl 1 1.589 4 1 0 -1.65924229048206 944118 COC1=CC=CC=C1NC(=S)NNC(=O)C2=CC=NC=C2 1 2.107 4 2 -9.57645581497107 944116 CC1=CC=C(C=C1)C2=CC=C(N2C)/C=C(\C#N)/C(=S)N 1 3.893 3 0 -2.91654684893797 944114 CC1=CC(=NC(=N1)NC2=NNC(=N2)CC3=CC=CC=C3)C 1 2.291 6 0 -3.55498720405168 944105 CC1=NN(C2=C1C=C(S2)C(=O)NC3CC3)C4=CC=CC=C4 1 3.068 3 1 -10.914189813249 944097 CC1=CC(=NC(=N1)NC2=NNC(=N2)C3=CC=C(C=C3)C(C)(C)C)C 1 3.656 6 0 3.32747719596066 944039 CC1=CC=C(C=C1)SCC2=NNC(=O)C2 1 1.884 2 1 0 -7.17322180925108 944030 CC1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N 1 2.268 6 1 0 -4.07675549713164 943967 CC1=C(C(=O)N=C(N1)NCC2=CC=CO2)CCC(C)C 1 2.594 3 2 -10.1827973120658 943881 C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=S)N=CN4)C5=CC=CC=C5 1 5.311 3 0 -2.33665819381061 943877 CCOC(=O)C1=CN=C(N=C1C)NC2=NC3=C(C=CC(=C3)C)C(=N2)C 1 2.82 5 2 0 -4.73186676473558 943866 C1=CC=C(C=C1)C2=CC(=NC(=N2)OC3=CC=C(C=C3)C#N)C(=O)N 1 3.389 4 2 -2.61231024961107 943846 CC1=CC(=CC=C1)NC2=NC=NC(=N2)N 1 1.64 5 0 0 2.477929239773 943845 CCC1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC=C(C=C2)C 1 1.845 4 2 0 -20.9403778649085 943838 CC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=C(C(=N3)C)C(=O)C)C 1 2.638 5 1 -1.46285073934407 943831 CC1=CC(=C2C(=CC(=O)OC2=C1)CN3CCOCC3)C 1 2.593 1 3 -6.79322414921111 943798 CC(C)[C@@H](C(=O)OC)NC(=O)N1CCC(CC1)CC2=CC=CC=C2 1 3.267 2 3 -14.2900904641208 943786 CC1=CC=C(C=C1)NCC(=O)NN=CC2=CC=CN2C 1 2.421 4 1 -11.6522028053874 943768 CC(C)[C@@H](C(=O)O)NC(=O)NC1=CC(=CC=C1)Br 1 2.503 2 3 -11.6185293264497 943655 C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2O)O 1 2.13 1 3 0.21458514903807 943657 CCN1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NC(=O)C4=CC=CO4 1 3.619 4 2 -3.06353897510118 943671 C1CN(CCC1O)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 4.03 3 1 -8.88076179200207 943673 CC1=CC(=NC(=N1)NC2=NCC(=O)N2CCC3=CNC4=CC=CC=C43)C 1 2.388 6 1 0 -5.25497927879803 943674 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)C4CC4)N)C 1 1.42 3 2 0 -19.9996649584967 943720 C1=CC=C(C(=C1)C(F)(F)F)N2C(=NNC2=S)C3=CC=CO3 1 4.016 3 1 -1.80233227905205 943695 CC(=NOC1=NC(=NC(=N1)N(C)C)N2CCOCC2)C 1 0.216 6 2 0 -3.28817282925988 943691 CCC1=CC=C(O1)CCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC 1 3.165 1 4 -15.9913779608185 943638 C1=CC(=CC(=C1)Cl)C(=O)OC2=CN=CC=C2 1 2.775 1 2 -4.07980989504493 943623 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)OC 1 2.559 2 3 -6.55638009502365 943609 CC1=C(C(=NN1CC(=O)NN=C(C)C2=CC=CO2)C)[N+](=O)[O-] 1 0.883 5 4 0 -9.28061150898493 943603 CC(C)C[C@@H](C(=O)OC)NC(=O)NC1=CC(=CC=C1)Br 1 3.117 2 3 -12.0268895197999 943582 CN(C)CCSC1=NC(=NC2=C1CCC2)C3=CC=CC=C3 1 3.955 3 0 1.0842786189502 943563 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC=CC=C3)C 1 4.489 1 2 3.43099264759402 943545 CCC(=O)N(CC1=CC(=O)NC2=CC=CC=C21)C3=CC=CC=C3 1 2.789 2 2 -10.2615172661277 943541 CC1=C(C(=O)N=C(N1)N2CCC3=CC=CC=C3C2)CCC(C)C 1 3.693 3 1 -12.6876189351359 943540 CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCOCC3 1 2.107 1 3 -5.39884794538439 943517 CC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC(=CC=C1)OC 1 1.964 2 4 0 -15.9237612635566 943516 C1=CC=NC(=C1)C(=O)OCC2=C(C=CC=C2Cl)Cl 1 3.875 1 2 -6.00832897528168 943484 COC1=CC=CC=C1NC(=S)NCC2=CC=CC=C2Cl 1 4.743 2 1 -10.9673087761944 943481 C1=CC(=CC(=C1)Cl)C2=NC(=C(O2)NCC3=CN=CC=C3)C#N 1 2.99 4 1 1.36426913324086 943474 CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3)C 1 3.772 5 0 -8.07460307930232 943473 CC1=CC=C(C=C1)SCC(=O)NC2=NC(=O)CS2 1 2.633 2 2 -11.5771844644469 943470 CC1=CC(=C(C=C1)N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)C)C 1 3.094 2 2 -9.0436039533604 943464 C1=CC(=CC(=C1)F)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3 1 4.041 2 3 -11.642859885836 943458 C1CCC(C1)(CC(=O)N2CCC(CC2)C(=O)O)CC(=O)O 1 0.981 1 5 0 -7.72731383812003 943457 C1=CC(=O)N(C=C1)CC2=C(C=CC=C2Cl)F 1 2.335 1 1 -6.0262694100293 943455 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)OCC(=O)OC 1 2.394 2 4 -9.55015540076095 943450 CC(=O)NC1=NON=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 2.018 4 3 0 -6.68458936532495 943408 CC1=CC(=NC(=N1)NC2=NNC(=N2)C3=CC=CC=C3N)C 1 1.509 7 0 0 -2.09470255214001 943399 COC1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)N3CCNCC3 1 1.773 5 1 0 -1.23321946959258 943384 CC1=CC=CC2=C1NC(=O)C(=C2)COC(=O)C3=CC=CS3 1 3.091 1 3 -9.13713901665873 943371 CCOC1=CC2=C(C=C1)N=C(N=C2C)SCC3=CC=CC(=C3)C 1 5.135 2 1 -3.63807986538761 943368 CCC(=O)N(CC)CC1=CC(=O)NC2=CC=CC=C21 1 1.561 2 2 0 -13.2247616425748 943362 C1CN(CCC1O)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.186 3 3 0 -15.8158820437611 943338 CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3NCC(C)C 1 3.372 4 1 1.30777170570593 943337 C[C@@H](C(=O)OC)NC(=O)N1CCC(CC1)CC2=CC=CC=C2 1 2.424 2 3 -8.8242816709842 943329 CCOC1=CC=C(C=C1)C(=NNC(=O)CN2C(=CC(=N2)[N+](=O)[O-])C)C 1 2.076 5 4 0 -16.8470122201984 943323 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)NC2CC2 1 0.973 4 2 0 -15.8343762331348 943313 CN(C)C1=NC(=NC(=N1)N2CCOCC2)C(=O)O 1 -0.509 5 3 0 -4.86183999342698 943305 CCN(CC)CCNC1=NC=NC2=C1NC3=C2C=C(C=C3)OCC 1 3.017 5 1 0.783611227236842 943297 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCO 1 -0.301 5 3 0 -5.30047673993202 943274 CC1=C(C=C2C=C(C=CC2=N1)F)C(=O)NC3=CC(=C(C=C3)Cl)Cl 1 4.617 2 1 1.34954991352029 943273 CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NCC3=CC=CC=C3 1 4.581 3 1 -7.58464293289167 943259 CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCCCC3)C 1 3.823 1 2 -0.213058789117912 943242 CC(C)(C)C1=NC=CC(=C1)C(=O)N2CCC3=CC=CC=C3C2 1 3.58 2 1 -10.5068551071942 943239 CC1(CC2=NC(=NC=C2C(=O)C1)N3CCC4=CC=CC=C43)C 1 2.752 3 1 -11.3842003140457 943228 CC1=C(SC=C1)C=NNC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C 1 1.947 5 3 0 -9.99772127468443 943211 C1COCCN1CCN2CNC(=NC2)NC3=NC4=CC=CC=C4S3 1 1.58 6 1 0 -5.69445870927688 943197 COC1=CC=CC(=C1)C2=NC3=NC4=CC=CC=C4N=C3N2CC=C 1 3.935 4 1 -2.47611756690501 943192 CC(C)[C@@H](C(=O)O)NC(=O)NCC1=CC(=C(C=C1)OC)OC 1 1.729 2 5 0 -19.8513349014545 943178 COC1=C(C=C2C(=C1)C=C(N2)C(=O)NN=CC3=CC=C(C=C3)F)OC 1 3.441 3 3 -1.93204139207125 943173 CC1=NC(=CS1)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 1 2.527 2 2 -9.05782836068445 943158 CC1=CC(=CC=C1)NCC2=CC3=C(C=CC(=C3)OC)NC2=O 1 3.074 2 2 -1.85452173349088 943152 C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)N)C4=CC=CS4 1 3.124 3 1 -15.0909767406863 943146 COC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3 1 2.503 1 5 -8.95574126792176 943143 CCC1=CC=C(O1)CCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC 1 3.514 1 4 -15.3117080192271 943141 CC1=C(C(=NN1CC(=O)NN=CC2=CC=C(C=C2)F)C)[N+](=O)[O-] 1 1.713 5 3 0 -9.52159192887086 943140 COC1=CC=CC=C1NC(=S)NC2CCCCCC2 1 4.81 2 1 -9.94759755089656 943137 CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3NCCN(C)C 1 2.319 5 1 3.05450413782463 943136 CC(C)C(=O)NC1=NN=C(S1)CC2=CNC3=CC=CC=C32 1 2.807 4 1 -13.6366507459904 943093 CCOC1=CC=C(C=C1)NCC2=CC3=C(C=CC(=C3)OC)NC2=O 1 2.92 2 3 -5.76578168936948 943085 C1=CC=C(C=C1)N2C3=C(C=N2)C4=NN=CN4C=N3 1 1.622 6 0 0 0.667195347300473 943060 CC1=CC(=C(C=C1)C)N2C(=NNC2=S)C3=CN=CC=C3 1 3.5 4 0 -4.4751216055629 943030 CCC1=NN=C(S1)NC(=O)CCC(=O)NC2CCCCCCC2 1 2.546 4 2 -19.1495697947461 942996 C1CCN(CC1)CCNC2=C(N=C(O2)C3=CC=CC4=CC=CC=C43)C#N 1 3.857 4 1 2.29323091269104 942964 C1=CC=NC(=C1)NS(=O)(=O)C2=CC(=C(N=C2)Cl)Br 1 2.177 3 2 -0.322280055481221 942956 CCOC(=O)CC1=NN=C(S1)NC(=O)C2CCCCC2 1 2.196 3 3 -11.2554068495246 942915 CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)N(C)C 1 3.533 3 1 -4.12849024278854 942896 COC(=O)CC1=CC=C(C=C1)NC(=S)NC2=CC=CC=N2 1 3.645 3 2 -10.1047151729767 942876 CCN1C2=C(C=C3C=CC(=CC3=N2)C)C(=N1)NC(=O)CC(C)C 1 3.934 4 1 -7.14550963192434 942868 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NC2CCCCC2 1 2.096 4 2 -17.1703099706296 942832 CN(C)C1=NC(=NC(=N1)N2CCOCC2)C(=O)N 1 -1.137 6 2 0 -4.63489483736471 942821 CC(C)C[C@@H](C(=O)O)NC(=O)NC1=CC=CC=C1F 1 2.349 2 3 -15.5436591900424 942804 COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)N4CCC5=CC=CC=C5C4 1 3.696 4 1 1.53383344853299 942803 COC1=CC2=C(C=C1)NC3=C2N=CN=C3NCC4=CC=CO4 1 2.597 4 2 2.7923060884033 942790 CC1=CC(=NC(=N1)NC2=NCCN2C(=S)NC3=CC=CC=C3)C 1 3.266 6 0 -9.13616348883269 942785 CC1=CC(=NC(=N1)NC2=NNC(=N2)C3=CC=CC=C3Br)C 1 3.004 6 0 -0.352356798309777 942782 C1COCCN1NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3 1 3.392 4 1 -6.03005454210874 942741 CC1=CC(=C(C=C1)N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)C(C)C)C 1 4.224 2 2 -9.70103114591852 942735 CC1=C(C(=O)N=C(N1)NC2=CC=CC=C2)CCC(C)C 1 3.406 3 1 -8.1623283060569 942721 CN(CC1=NC(=NC(=N1)NC2=CC=CC=C2OC)N)C3CCCCC3 1 2.957 6 1 0 -3.66469988561876 942713 CC1(CC2=C(CO1)C(=S)N=C(N2CC=C)C3=CC=CC=C3)C 1 3.031 2 1 -12.2623273130344 942712 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCCCC2 1 1.606 4 2 0 -17.3171846278674 942706 COC(=O)CC1=CC=C(C=C1)NC(=S)NN2CCOCC2 1 1.732 3 3 0 -13.3961767654701 942701 CC1=C(C=C2C(=C1)C(=NC(=N2)NC3=NC=C(C(=N3)C)C(=O)C)C)C 1 2.841 5 1 -6.3277526513347 942671 CCCN1CNC(=NC1)NC2=NC3=CC=CC=C3O2 1 2.068 5 1 -3.31101697840452 942646 CC1=C(C=CC=C1Cl)NC(=O)C2=C(N=C3C=CC(=CC3=C2)F)C 1 4.439 2 1 1.02725134010573 942634 CCOC(=O)C1CCN(CC1)CC2=CC(=O)OC3=C2C=CC(=C3)C 1 3.096 1 4 -7.00088889070875 942619 CC1=CC=C(O1)C=NNC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C 1 1.048 5 4 0 -10.7207204094818 942618 CC1=CC=CC=C1N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)CCl 1 3.141 2 2 -13.8787806906759 942591 CC1=NC(=CS1)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 1 2.983 2 2 -9.05782836068445 942589 CC1CCN(CC1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3 1 4.011 1 2 -3.36182650920846 942531 COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCCCC3 1 2.016 6 1 0 -1.46916623333782 942567 CCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)CC 1 3.75 4 1 -3.95586587574463 942555 CN1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br 1 1.658 4 1 0 -1.70755303435662 942495 CCCC(=O)N(CC1=CC(=O)NC2=CC=CC=C21)C3=CC=C(C=C3)C 1 3.731 2 2 -13.3362185352779 942494 CC(C)C[C@@H](C(=O)OC)NC(=O)NC1=CC=C(C=C1)F 1 2.574 2 3 -12.77372903282 942474 CCC(=O)NC1=NC(=CC(=N1)OC)OC 1 1.404 3 3 0 -8.08327745661399 942467 CC1=C(C=C(C=C1)Cl)NC(=O)N[C@@H](C)C(=O)OC 1 2.288 2 3 -11.273001126927 942463 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCCCCC2 1 2.696 2 3 -11.956180199649 942434 C1COCCN1C(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 2.695 2 5 0 -1.26630162064109 942403 CCCN(CCC)CC1=CC(=O)OC2=CC3=C(CCC3)C=C12 1 4.735 1 2 -5.86254079311037 942398 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)O 1 2.333 2 3 -5.43653104639165 942396 CC1=CC(=CC=C1)NC(=O)N[C@@H](C)C(=O)OC 1 1.623 2 3 0 -8.68281895154381 942385 COC1=CC=CC=C1C2=NC(=NN2)SCC(=O)N3CCOCC3 1 1.514 4 3 0 -11.2002536908639 942384 C1=CC=C(C=C1)CN2C3=CC=CC=C3C=C4C2=NC(=O)NC4=O 1 2.66 3 2 -1.71065107006221 942378 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC(=CC=C3)C(=O)NC4=CN=CC=C4 1 3.012 2 3 -2.01643801964962 942374 COC1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3 1 3.308 3 3 -14.2026125382355 942367 CCC1=CC=C(C=C1)C(=O)CN(C#N)C2=NC(=CC(=N2)C)C 1 2.81 4 1 -3.99033217604743 942297 CC1=C(C2=CC=CC=C2N1)C(=O)CSC(=S)N3CCOCC3 1 3.587 2 2 -5.65363114720927 942336 CCC1=CC=C(O1)CCC(=O)NC2=CC=C(C=C2)Cl 1 3.556 1 2 -4.50975851811824 942329 CC1CCN(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC 1 2.491 2 3 -14.6452898035534 942243 CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)NC2CCCC2 1 1.885 4 2 0 -15.3207700529677 942248 CC1=C(C2=C(O1)C=CC(=C2)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.335 1 5 -1.44296756900698 942254 CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)N 1 1.839 2 4 0 -5.23433925960991 942283 CC1=CC=C(O1)C=NNC(=O)CN2C(=C(C(=N2)C)Br)C 1 1.902 4 2 0 -10.9249784382402 942261 CCOC1=CC=C(C=C1)NC2=NC(=O)C=C(N2)CC(=O)OC 1 1.278 3 4 0 -11.7924977081399 942220 CCC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)CC 1 3.834 1 2 -6.27244420660395 942193 COC(=O)CC1=CC=C(C=C1)NC(=S)NCC2=CC=CO2 1 3.167 2 3 -15.5743161835109 942186 CC(=NNC(=O)CN1C=C(C=N1)[N+](=O)[O-])C2=CC=CO2 1 0.455 5 4 0 -10.4239373036629 942163 CC1=CC=C(C=C1)CNC(=O)CCC(=O)NC2=NN=C(S2)C(C)C 1 2.307 4 2 -18.961118040792 942149 CC1=NC2=C(C=C(C=C2)F)C(=C1)C(=O)NC3=NC=CS3 1 2.286 3 1 -2.68396324282723 942148 CN(C)C1=C(N=C(O1)C2=CC=CC=C2[N+](=O)[O-])C#N 1 2.14 4 3 0 -1.73027749883065 942146 COC1=CC=CC=C1CNC(=S)NC2CCCC2 1 3.627 2 1 -11.0004970882118 942131 CN1CCC2=C(C1)SC3=NC(=NC(=C23)N)SCC(OC)OC 1 2.131 4 2 -9.44739067524317 942126 COC1=CC2=C(C=C1)NC(=O)C(=C2)CNC3=CC=CC=C3 1 2.588 2 2 -4.59796989569111 942117 CC1=CC=CC2=C1NC(=O)C(=C2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.032 2 5 0 -11.6288155102499 942103 CC1=CC=C(C=C1)NC2=NC3=C(N2)C(=O)N(C(=O)N3C)C 1 1.635 5 2 0 -8.60909255190484 942093 CCOC(=O)OC1=CC=C(C=C1)/C=C\2/C(=O)OC(=N2)C 1 2.408 1 5 -8.48219284966307 942074 CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2N 1 1.591 3 1 0 -5.99228586227905 942046 COC1=CC=CC(=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C#N)N 1 4.036 3 1 8.54814981099901 942039 CC(C)CNC1=C2C3=C(CN(CC3)C)SC2=NC(=N1)SC 1 3.94 4 0 -4.53005032324008 942030 CC1=CC(=NC2=C1C=C(C=C2)OC)SC 1 3.567 1 1 3.47123644054315 942005 C1=CC=C(C=C1)C(=O)CN2C(=NC(=N2)Cl)Cl 1 2.783 3 1 -3.59470050241306 941989 CC1=CC(=C(C=C1)NC(=O)N[C@@H](C(C)C)C(=O)O)C 1 2.727 2 3 -16.9668257868431 941988 CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCOCC3)O 1 1.865 1 4 0 -3.91287372911239 941960 C1CCC2=C(C1)C3=C(N=CN=C3S2)NCC4=CN=CC=C4 1 3.276 4 0 -8.16781487864589 941932 C1CN(CCC12NC3=CC=CC=C3CO2)CC4=CC=CC=C4 1 3.491 2 1 2.45226503844168 941925 CN1C=CC=C1/C=C\2/C(=O)N=C(S2)NC3=CC=CC=C3 1 3.37 3 1 -6.99044903710945 941921 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NC3=CC=CC=N3 1 5.305 4 0 -2.90700594662766 941920 CC1=CC(=C(C=C1)NCC2=CC3=C(C=CC(=C3)OC)NC2=O)C 1 3.56 2 2 -4.16053046629763 941901 CCN(C1=CC=CC=C1)C2=NC(=O)C3=C(S2)N=CC=C3 1 3.55 3 1 -4.34973347398734 941895 CC1CCN(CC1)C(=O)CCC(=O)NC2=NN=C(S2)CC(C)C 1 1.858 4 2 0 -20.0062942317718 941892 COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCCCCC3 1 2.472 6 1 0 -1.46916623333782 941886 COC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl 1 3.323 2 3 -9.62517418018609 941877 CCC1=CC=C(O1)CCC(=O)NC2=CC=C(C=C2)C(=O)C 1 2.631 1 3 -10.0464397395017 941876 CCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)C(C)(C)C 1 4.105 4 1 -10.1847296893177 941868 C=CCN1C(=NNC1=S)C2=CC=CC3=CC=CC=C32 1 3.627 3 0 -4.6943237256438 941856 CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3N(C2=O)C 1 2.227 3 2 -8.46982657146884 941841 CC1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 2.581 3 2 -11.4085052832616 941833 CC1=CC2=C(C=C1)N=C(CC(=N2)C3=CC=CC=C3)C(Cl)Cl 1 5.006 2 0 3.30203124376333 941822 CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)OCC(=O)N 1 1.541 3 3 0 -7.81926196701149 941801 COC1=C(C=C(C=C1)C2=NC(=C(O2)NCC3=CN=CC=C3)C#N)OC 1 2.293 4 3 0 -5.91060086293714 941794 CCC1=NN=C(S1)NC(=O)CCC(=O)NC2CCCC2 1 1.177 4 2 0 -18.795101280578 941780 CC1=CC(=CC(=C1)N2CCCN3C2=NC4=C3C(=O)NC(=O)N4C)C 1 2.208 5 2 0 -6.06230682322353 941740 C1CCCN(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O 1 2.47 2 3 -11.6144603189228 941737 CC1=NC(=NC=C1)NC2=NC3=CC=CC=C3S2 1 2.393 4 0 -1.64433139315312 941735 C1CCC2=C(CC1)SC3=NC=NC(=C23)NC(=O)C4=CC=CC=C4 1 4.275 3 1 -10.7983028032918 941733 CC1=CC(=C(C=C1)C)NC(=S)NCC2=CC(=CC=C2)OC 1 5.051 2 1 -8.24374853980955 941725 CC1=CC(=CC(=C1)NC(=S)NCC2=CC(=CC=C2)OC)C 1 5.051 2 1 -7.85831069441366 941720 CN1C(=CC=C1C2=CC=C(C=C2)Br)/C=C(\C#N)/C(=S)N 1 4.156 3 0 -2.55120790345259 941704 C1=CC=C(C(=C1)CS(=O)(=O)C2=NC=NN2)Cl 1 1.905 3 2 0 -6.19044065042874 941679 CC1=CC2=C(C=C1)N(C3=NC(=S)NN=C23)CCC4=CC=CC=C4 1 4.385 4 0 -2.89924836596259 941675 CC1=NC(=NN1)SCC(=O)N2CCC3=CC=CC=C32 1 1.83 4 1 0 -13.0338437406722 941673 C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)F)C4=NNC(=S)N=C42 1 4.105 4 0 -2.55020292561944 941653 CC1=CC2=CC3=C(N=C2C=C1)N(N=C3NC(=O)C(C)(C)C)CC(C)C 1 4.948 4 1 -10.7308067066665 941651 CN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C 1 3.533 3 2 -3.48850307820837 941642 CN1C=CC=C1/C=C\2/C(=O)N=C(S2)NC3=CC=C(C=C3)O 1 3.128 3 2 -4.85652656107217 941628 CC1=C(C(=NN1CC(=O)NN=CC2=CC=C(C=C2)OC)C)[N+](=O)[O-] 1 1.491 5 4 0 -10.6464351634803 941623 CC1=CC=CC=C1N2C3=C(C=C(S3)C(=O)NC4CC4)C(=N2)C 1 3.554 3 1 -14.1503917658011 941605 CCC1=CC=C(C=C1)NC(=O)CCC(=O)NC2=NN=C(S2)C(C)C 1 2.757 4 2 -12.7651867792275 941594 CCC(=O)N(CC1=CC(=O)NC2=CC=CC=C21)C3=CC=C(C=C3)C 1 3.275 2 2 -9.59090418076753 941561 CC1=CC=C(C=C1)CNC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O 1 2.96 2 3 -11.6391304650351 941555 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2SCC(=O)N)F 1 3.277 3 1 -12.2589793733947 941550 COC1=CC2=C(C=C1)NC(=O)C(=C2)COC(=O)C3=CC=CS3 1 2.588 1 4 -9.08621912384939 941482 COC1=CC=CC=C1C2=NC(=C(O2)N3CCC(CC3)C(=O)N)C#N 1 1.704 4 3 0 -3.94201358793407 941440 CN1CCN(CC1)C2=C(N=C(O2)CC3=CC=CC4=CC=CC=C43)C#N 1 3.147 4 1 -2.43867175143078 941421 COC(=O)CC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2 1 3.986 2 2 -14.3708169672445 941420 CC1=C2C(=CC=C1)NC3=C2N=CN=C3N4CCC5(CC4)OCCO5 1 2.605 4 2 1.5847227090388 941411 CCCN1C2=C(C=C(C=C2)C)C3=NNC(=S)N=C31 1 3.353 4 0 -4.10610791672301 941377 CC1=CC(=NC(=N1)NC2=NNC(=N2)C3=CC=CC4=CC=CC=C43)C 1 3.164 6 0 2.0201651918885 941357 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C1CCC2=C(CC1)N=C3C(=C2C4=CC=CS4)C(=C(S3)C(=O)N)N 1 3.735 3 1 -7.28827133921261 940040 CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC 1 3.559 0 3 -2.7400527969304 940026 CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=CN3C 1 2.178 4 1 -11.2024164927419 940017 CC(C)CC1=NC2=NNC(=C2C3=C1CCCC3)N 1 3.204 4 0 -1.1317851215743 940016 C1=CC=C(C(=C1)NC(=O)C2=NNC(=O)C=C2)Cl 1 1.368 3 2 0 -11.5511056879875 940011 CC1=CC2=C(C=C1)C(=O)C(=CO2)C=NC3=NC=NN3 1 1.625 4 2 0 -1.6776030953414 940009 CCC(CC)C1=NC2=CC=CC=C2N1CC=C 1 4.47 2 0 -6.00617618295469 940003 CC(=C)C(=O)NC1=CC2=C(C=C1)OCCOCCOCCO2 1 1.618 1 5 0 -11.4301661369867 940002 CC1=NC2=CC=CC=C2N1CC3=CC=CC=C3OC 1 3.379 2 1 -2.71510961760479 939992 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=CC3=C(C=C2)N=CN3 1 2.166 4 3 0 -7.51668260767948 939991 C1CCC(=CC1)CC2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)Cl 1 4.043 4 1 -8.84540457710951 939989 C1CCN(C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3 1 1.676 3 1 0 -2.21910754179138 939974 CCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)C 1 1.066 4 2 0 -0.420703826475099 939967 CC1=CC=C(C=C1)NC(=O)C2=C(N=C(S2)N)C 1 1.925 3 1 0 -2.18005364097567 939955 C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3C(=N2)C(F)(F)F 1 4.088 3 0 -0.708159324242154 939947 C1=CC(=C(C(=C1)Cl)C=NN2C(=NNC2=S)C3=CC=CO3)Cl 1 4.471 4 1 -3.68845133770577 939943 CCN1C(=C(C=N1)C=NO)C 1 0.8 3 1 0 3.29381895290913 939942 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=CC=C3Cl 1 4.247 4 1 -4.01174219925048 939938 CC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)NCC4=CC=CS4 1 4.746 3 0 1.09381635323886e-002 939936 CC1=CC=CC=C1C=NN2C(=NNC2=S)C3CCCCC3 1 4.695 4 0 -3.24034982847836 939927 CC1=CN=C(C=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 4.018 2 1 -10.7231270046585 939906 CCOC(=O)C(=NNC1=C(C=CC(=C1)Cl)OC)C#N 1 2.778 3 3 1.29028647249747 939900 C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(C=C3)F 1 4.156 1 1 -5.97993031591956 939899 C1CN(CC2=C1NC3=CC=CC=C23)C(=S)NC4=CC=C(C=C4)F 1 5.21 3 0 -7.9328940512981 939894 COC1=C(C=C(C=C1)C=NN2C=NC=N2)CN3C=C(C=N3)[N+](=O)[O-] 1 1.552 7 3 0 -16.5285629475374 939889 COC1=CC=CC(=C1OC)C=NN2C(=NNC2=S)C3CCCCC3 1 4.176 4 2 -4.93624343189192 939883 CC1CCC2(CC1)NC(=S)N(N2)CCC(C)C 1 3.441 3 0 -4.31238758733481 939880 C1C(=O)N=C(S1)NC2=CC=CC=C2 1 1.882 2 1 0 -7.43881282408306 939878 C1=CSC(=C1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3 1 2.152 4 1 -8.21205152265788 939877 CC1=NC2=C(N1C)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3 1 2.299 3 2 -0.399779633981026 939875 CC1=CC=C(C=C1)C(=O)NNC2=NC=NC3=C2C=NN3C 1 1.295 6 1 0 -1.99638278220279 939874 CC1=NC(=CC=C1)NC(=O)/C(=C/C2=CC=CC=C2O)/C#N 1 2.35 3 2 -6.95054770766182 939871 CNC(=S)NN=CC1=CC=CO1 1 1.626 3 1 0 -6.88271133279626 939860 CC(=O)N1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 3.753 2 2 1.35502574517774 939856 CC1=CC=C(C=C1)OCC(=O)NN=CC2=CC=CN2C 1 2.595 3 2 -8.17121896573888 939844 CC(=NNC(=O)C1=CC=C(C=C1)O)CN2N=C(N=N2)[N+](=O)[O-] 1 0.734 7 4 0 -7.76636762269052 939838 CC1=NC2=C(N1C)C=CC(=C2)NCC3=CC=CS3 1 2.944 3 0 -0.720064012325239 939827 COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC=CC=N2)OC 1 1.116 3 4 0 -8.80495044144929 939804 CC(C)CC1=C2CCCCC2=C3C4=C(C(=O)N=CN4)SC3=N1 1 4.122 3 1 -5.39075081830309 939800 CN1C2=C(C=N1)C(=NC=N2)NNC(=O)CC3=CC=C(C=C3)OC 1 0.827 6 2 0 -3.46112974711109 939795 C1=CC(=CC(=C1)F)CSC(=C(C#N)C#N)NC2=CC=C(C=C2)F 1 4.574 3 0 -8.70032516448136 939789 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)N 1 2.649 4 1 -4.03623022064053 939786 COC(=O)C1=C(C=CC(=C1)Br)NC(=O)NC2=CC=CC=C2 1 3.126 2 3 -7.48189248771344 939782 CCOC1=CC=C(C=C1)C=NN2C(=NC3=CC=CC=C3C2=O)C 1 3.012 3 2 -6.0033218515448 939768 C1=CC(=CC=C1NC(=O)C2=NNC(=O)C=C2)F 1 0.909 3 2 0 -10.9302027287259 939759 C1=CC=C(C=C1)NC(=O)C2=NNC(=O)C=C2 1 0.704 3 2 0 -11.7987338925645 939755 COC1=CC2=C(C=C1)C(=C(S2)C(=O)NN)Cl 1 2.141 2 2 0.506475447953171 939750 CC1=CC=C(C=C1)CSC(=C(C#N)C#N)NC2=CC=C(C=C2)F 1 4.855 3 0 -8.99203363853566 939745 CC1=NN2C(=C1)N=C(N3C2=NC4=CC=CC=C43)C 1 2.135 5 0 -4.49351723147506 939723 CCOC(=O)N1CCN(CC1)CC(=O)C2=C(NC3=CC=CC=C32)C 1 2.223 3 3 -1.83714054074884 939709 C1=CC(=C(C=C1Cl)Cl)CN2C=CC(=NC=C(C#N)C#N)C=C2 1 2.776 4 0 2.10097594860413 939705 CC1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C(C(=C3)C#N)N)N 1 2.227 5 1 -8.03521703319248 939696 CCOC(=O)C1=C2C(=C(S1)C)C(=O)NC3(N2)CCCCCC3 1 2.914 2 3 -9.42909692152112 939671 CC1=CC(=NC2=C1C=C(C=C2)OC)SCCC(=O)O 1 3.296 1 3 -4.20762155908211 939669 COC1=C(C=C(C=C1)Cl)C(=O)NNC(=S)NC2CCCCC2 1 3.926 3 2 -8.94678018707804 939658 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(C)CC3=CC=CC=C3 1 4.038 2 2 -6.66887290567144 939654 CCC1=CC=CC=C1NC(=O)N[C@@H](C(C)C)C(=O)O 1 2.697 2 3 -16.3247863633879 939643 CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NC2CC2 1 0.727 4 2 0 -17.3294476366286 939623 C[C@@H](C(=O)OC)NC(=O)NC1=CC(=CC=C1)Br 1 1.886 2 3 0 -9.11174796638761 939616 CCN1C(=O)C2=CC(=C(C=C2N=C1SCC)OC)OC 1 2.901 2 3 -11.4270277683709 939595 COC1=CC2=C(C=C1)C(=CN2)C(=O)CN3CCN(CC3)C4=CC=CC=C4 1 3.482 3 2 3.45835153119814 939549 CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=CC3=CC=CC=C32 1 3.602 3 2 -7.55868142344467 939532 CC1=CC(=C(C=C1)NCC(=O)C2=CC=C(C=C2)OC)C 1 3.85 1 2 -4.75427698299942 939519 CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OC 1 0.817 3 4 0 -13.2085912713882 939495 CC1=CC2=CC3=C(N=C2C=C1)N(N=C3NC(=O)C4=CC=CO4)CC(C)C 1 4.462 4 2 -4.30871177843913 939472 CC(C)(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O 1 4.294 0 3 4.2265823748751 939458 CC1=C(C2=CC=CC=C2N1)C(=O)CN3CCC4(CC3)OCCO4 1 2.079 2 3 -1.81166701869641 939456 CC1=C(C=C(C=C1)Cl)NC(=O)N[C@@H](CC(C)C)C(=O)O 1 3.294 2 3 -13.8641058401537 939448 CCC1=CC=C(O1)CCC(=O)NC2=NN=C(S2)C 1 1.626 3 2 0 -13.3610478387258 939445 CC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC(=CC=C1)Br 1 2.729 2 3 -14.5775567595243 939444 C1CCC2=C(C1)C3=C(N=CN=C3S2)NCC4=CC=CC=N4 1 3.491 4 0 -6.34771882836204 939419 C1CCC2(C1)C(=C(N3C4=CC=CC=C4NC3=C2C#N)N)C#N 1 2.831 5 0 -7.07258697650129 939409 CC1CCN(CC1)CC(=O)C2=CNC3=C2C=CC(=C3)OC 1 3.022 2 2 -2.3952507813691 939403 CC1=CC2=C(C=C1)C(=NC(=N2)NC3=NCN(CN3)CC4=CC=CO4)C 1 2.741 6 1 0 -2.29502295338798 939399 CC1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC=CS2 1 0.432 4 2 0 -22.6368747612307 939398 CC1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)CCCC3 1 2.88 3 1 -9.30420967840065 939372 CN(C)C1=NC(=NC(=N1)OC2=NNC(=O)C=C2)N(C)OC 1 8.4e-002 7 3 0 -11.8630527098087 939366 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCCCC2 1 2.24 2 3 -11.956180199649 939345 CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CCOC3=CC=CC=C3 1 1.41 5 3 0 -6.97661327573962 939343 CC(=O)NC1=NON=C1NC(=O)COC2=CC=CC=C2 1 0.452 4 4 0 -9.44357997032549 939330 C1=CC(=CC(=C1)F)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O 1 3.099 0 3 3.46519559344326 939272 CCCC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=CC=C2OC 1 1.791 4 3 0 -16.5319352700464 939250 COC(=O)CC1=NC2=CC=CC=C2NC(=O)C1 1 0.904 2 3 0 -13.6749542704897 939236 COC1=CC2=C(C=C1)NC(=O)C(=C2)CNC3=CC=CC=C3OC 1 2.572 2 3 -4.42604734658161 939233 CC1=C(C(=O)N=C(N1)NCC2=CC=CC=C2)CCC(C)C 1 3.412 3 1 -9.7262122156575 939226 C1CN(CC2=CC=CC=C21)CC3=NC(=NC(=N3)NC4=CC=CC=C4)N 1 2.774 6 0 -4.47471563361373 939219 CCCN1CNC(=NC1)NC2=NC3=C(C=C(C=C3)C)C(=N2)C 1 2.849 6 0 -3.16162321829764 939192 CC1=CC(=C(C2=C1C(=CC(=O)O2)CN3CCOCC3)C)C 1 3.079 1 3 -5.40716588428499 939158 CCN1C(=O)C2=C(N=C3N2CCCN3C4=CC=CC(=C4)C)N(C1=O)C 1 2.276 5 2 0 -6.98332483141769 939148 C1=CC=C2C(=C1)C(=C(C2=O)C3=CC(=O)C4=CC=CC=C4N3)O 1 2.426 1 3 -2.66564422348475 939124 CC1=C(C(=NC(=N1)NC2=NC3=CC=CC=C3S2)C)C(=O)C 1 2.415 4 1 -2.1902825586825 939105 CCCC1=NN=C(S1)NC(=O)CCC(=O)NC2CCCC2 1 1.633 4 2 0 -17.2903133355041 939075 CCC(=O)N(CC1=CC(=O)NC2=CC=CC=C21)C3=CC=CC=C3C 1 3.275 2 2 -13.7965368324176 939072 CC1(CC2=NC(=NC=C2C(=O)C1)NC3CC3)C 1 1.384 3 1 0 -12.7036788649249 939040 CN(CC1=CC2=CC=CC=C2NC1=O)C(=O)COC3=CC=CC=C3 1 2.045 2 3 -12.1476250933882 939029 CC1=C(C=C(C=C1)NCC2=CC3=C(C=CC(=C3)OC)NC2=O)C 1 3.56 2 2 -3.99008210146013 939027 CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)N)C 1 1.626 5 1 0 -19.2819289549085 939025 C1OC2=C(O1)C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Cl 1 4.198 2 3 -9.43030543197959 939011 CC1=CC=CC=C1N2C(=NNC2=S)C3=NNC(=O)C=C3 1 2.254 5 1 -7.71197719484777 939001 C1CN(CCC1C(=O)N)C2=C(N=C(O2)C3=CC(=CC=C3)Cl)C#N 1 2.385 4 2 2.42829342573838 938952 CCC1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC=CC=C2OC 1 1.342 4 3 0 -23.4676019051186 938946 CN(C)CCCN1C2=C(CCCC2)C(=S)N=C1C3=CC=CC=C3 1 3.791 3 0 -7.29125971673159 938943 CC1=C(C=C(C=C1)Cl)NC(=O)N[C@@H](C(C)C)C(=O)OC 1 3.131 2 3 -16.7388099200636 938928 CC(C)C[C@@H](C(=O)OC)NC(=O)N1CCCCC1 1 1.915 2 3 0 -15.7307507792904 938883 CC1=CC(=NC(=N1)NC2=NCCN2C(=S)NC)C 1 1.412 6 0 0 -9.9322582088646 938877 C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)Cl)Br 1 4.252 2 0 5.17775374031852 938861 C1CN(CCC1CC2=CC=CC=C2)C3=C(N=C(O3)C4=CC=CO4)C#N 1 4.299 3 2 0.702589745953188 938851 CC1=CC2=C(C=C1)NC(=O)C(=C2)COC(=O)C3=CC=CS3 1 3.091 1 3 -9.6061664543942 938845 C1CC2=NC=C(N2C1)C3=CC=C(C=C3)Cl 1 2.913 2 0 5.45958554875888 938834 CCC1=CC=C(O1)CCC(=O)NC2=CC(=C(C=C2)C)C 1 3.864 1 2 -6.57967202334517 938821 CCOC(=O)C1=CN=C(N=C1CCl)NC2=NC3=CC=CC=C3O2 1 2.571 4 3 0 -2.99227401417972 938810 C1=CC=C2C(=C1)C=C(C(=O)N2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.545 2 5 0 -12.6304888232746 938796 C1CCC(CC1)N2CNC(=NC2)NC3=NC4=CC=CC=C4S3 1 3.612 5 0 -0.84949823066872 938783 C1=CC(=CC=C1C2=CC(=CC3=C2OC(=O)S3)O)[N+](=O)[O-] 1 3.716 1 5 3.70027621220926 938773 CC(C)(C)C(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)F 1 3.843 3 1 -19.6583735549207 938754 CCOC(=O)N1CCN(CC1)CC(=O)C2=CNC3=C2C=C(C=C3)F 1 2.283 3 3 -0.566188506642143 938749 C1CC2=NC(=NC=C2C(=O)C1)NC(=O)COC3=CC=CC=C3 1 1.72 3 3 0 -12.1806892762432 938744 CC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)[N+](=O)[O-] 1 0.929 5 3 0 -0.812300839988475 938727 CC1=CC2=C(C=C1)NC3=C2N=CN=C3NCC4=CC(=CC(=C4)OC)OC 1 3.885 4 2 1.73192772946066 938687 CC(C)[C@@H](C(=O)O)NC(=O)NCC1=CC=C(C=C1)F 1 1.967 2 3 0 -14.4245772360725 938652 COC(=O)CC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)Cl 1 4.65 2 2 -12.0155307964884 938619 CCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)CC(C)C 1 3.934 4 1 -7.66491628847093 938616 CCN(CC)CCN1CNC(=S)N(C1)C2=CC=CC=C2OC 1 3.607 4 1 -7.96614289149184 938607 CC(C)OC1=CC(=C(C=C1)C(=O)O)C(=O)O 1 1.799 0 5 0 -6.75858978155712 938552 CC(C)CN1C2=NC3=CC=CC=C3C=C2C(=N1)NC(=O)C4=CC=CO4 1 3.975 4 2 -5.60376656662497 938551 CN1N=C(N=N1)NC(=S)NC(=O)C2=CC=CC3=CC=CC=C32 1 2.778 6 1 0 -7.83205495877143 938550 C=CCN1C(=NN=C1SCC(=O)N)C2=NC=CN=C2 1 6.e-003 6 1 0 -16.2201250468238 938545 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=NC=C3 1 1.131 9 2 0 -22.2201897577022 938533 C1CC2=C(C1)N=C(C(=C2)C#N)Cl 1 2.495 2 0 -4.87284115641301 938529 C1=CC=C(C=C1)OCC2=NN=C3N2N=C(S3)C4=CC=CC=C4Cl 1 3.878 4 1 -4.18229605804151 938501 CC1=CC(=NC(=N1)NC2=NCCN2C(=O)NC3CCCCC3)C 1 2.177 6 1 0 -10.2011273147653 938500 CN1C(=NN=C1SCC2=CC(=CC=C2)F)C3=NC=CN=C3 1 2.324 5 0 -6.84687481206935 938493 CC1=C(C2=CC=CC=C2N1C)C3=CSC(=N3)N 1 2.672 3 0 5.36999042901521 938485 CC1=CC(=NN1C2=NC=C3C(=N2)N(CCOC3=O)CCO)C 1 0.442 5 3 0 -6.10173943554788 938470 C1=COC(=C1)CN2C(=NN=C2SCC(=O)N)C3=NC=CN=C3 1 0.154 6 2 0 -13.7982532088973 938458 CN1N=C(N=N1)NC(=S)NC(=O)C2=CC=C(C=C2)OC 1 1.853 6 2 0 -10.7753616066919 938420 COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CCN4CCOCC4 1 1.351 4 3 0 -5.56316707086706 938408 COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CC4=CC=CC=N4 1 2.172 4 2 -3.35173276987838 938399 COC1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=C(C=C3)OC 1 3.652 3 2 -1.23870534803083 938394 COC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C4=CC=CO4 1 3.099 4 2 -1.02755580945946 938390 CC(C)SC1=NC2=CC=CC=C2C(=O)N1OC 1 2.808 2 2 -9.02285002588672 938370 CC1=CC=NN1CC(=O)NN=C/C(=C/C2=CC=C(C=C2)C(C)C)/C 1 3.331 4 1 -17.2219991158653 938368 COC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)OC 1 2.518 1 4 1.72997024146667 938363 CON1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)Cl 1 4.33 2 2 -10.3130204307442 938317 C1CN(CCN1C2=CC=C(C=C2)F)C(=S)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.396 3 2 -2.76260285796308 938306 CN1C(=NN=C1SCC2=CC=CC=C2)C3=NC=CN=C3 1 2.119 5 0 -8.86606921122106 938296 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3 1 3.036 5 1 -7.6896342520923 938252 C1CN(CCN1C2=CC=CC=C2N)C(=O)C3=CC=CC=C3 1 2.126 3 1 -3.63908832974398 938245 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC=CC=C3 1 3.25 2 2 -3.11550763831448 938229 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CC1=CC=CC=C1C2=NN=C3N2N=C(C4=CC=CC=C43)C 1 3.455 4 0 -2.37828269961413 938061 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=C(ON=C3C4=CC=CC=C4)C 1 4.711 4 1 -3.60461517506423 938060 C1CCC(C1)(CC(=O)NC2=CC=CC(=C2)C(F)(F)F)CC(=O)O 1 3.193 1 3 -0.236731487673571 938053 CC1=C(C(=C(N1NC(=O)C2=CC=CC=C2Cl)C)C(=O)C)C(=O)C 1 2.398 2 3 -6.3578631251072 938050 COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N 1 0.548 5 2 0 -10.2676120122921 938026 CC1=CC2=NN(N=C2C=C1N)C3=CC=CC4=CC=CC=C43 1 3.82 4 0 1.15599640262224 938022 CC1=CC2=C(C=C1C)N(C=N2)N=CC3=CC=C(O3)C4=CC=CC=C4 1 5.374 3 1 4.68445090619107 938002 C1=CC=C(C(=C1)CSC2=NN=C(N2N)C3=CC=CC=N3)F 1 2.777 5 0 -9.26664460614026 937999 CCC1=C(N=C(C(=C1C2=CC=CS2)C#N)N)C3=CC=CC=C3 1 4.711 3 0 -1.84057581107712 937993 CC1=CC=CC=C1CSC2=NN=C(N2C)C3=CC=CC=N3 1 3.755 4 0 -8.6268333365901 937989 CC1=C(N(C(=N1)C2=CC=CC=C2)O)C(=O)C 1 -0.17 2 2 0 5.77922649746984e-002 937984 COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CC4=CC=NC=C4 1 1.957 4 2 0 -1.25991926466712 937982 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C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3F 1 3.014 5 1 -14.7157597121212 937427 C1NC(=S)N(CN1CC2=CN=CC=C2)C3=CC(=CC=C3)Cl 1 3.885 4 0 -0.946693079168428 937426 COC1=C(C=C2C(=C1)C(=C(N2)C(=O)NN)N)OC 1 0.145 4 3 0 -3.89573643017155 937425 CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2)N3C(=CC(=N3)C)C 1 2.883 5 2 0 -5.50865195923064 937411 CC1=CC=CC=C1CSC2=NN=C(N2C)C3=CC=NC=C3 1 3.327 4 0 -8.19757639171573 937405 CC(=O)OC1=CC2=C(C=C1)OC(=C2[N+](=O)[O-])/C=C/N(C)C 1 2.095 2 5 0 1.06387431954137 937401 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 2.184 4 2 -10.9567592922518 937393 CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CN=CC=C3 1 1.131 9 2 0 -22.0195231575024 937387 CC1=CC(=C(C=C1)C)NC(=O)CCN2CCN(CC2)C 1 2.134 3 1 -3.20881892952148 937381 COC1=C(C=C(C=C1)C2=NN3C(=NN=C3SC2)C4=CC=CO4)OC 1 3.082 4 3 0 -3.39973809178344 937377 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC=CC=C3 1 3.348 2 2 -3.76905414388407 937365 CC1=CC(=NN1CC(=O)NN=CC2=CC=CC=N2)C 1 0.89 5 1 0 -12.6580544512915 937357 CC1=CC2=C(C=C1)C3=C4C(=CN3C=C2)N(C(=O)N(C4=O)C)C 1 2.066 3 2 -5.78934019782394 937338 CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=NN3C=NN=C3 1 2.366 4 3 0 1.18303538641058 937332 CCCN1C=C2C(=C1C3=CC=C(C=C3)C)C(=O)N(C(=O)N2C)C 1 3.444 3 2 -6.89404650550704 937282 COC1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=NC=C3 1 2.127 5 1 -7.00672432011016 937277 CC1=NC2=CC=CC=C2N=C1OCC3=CC=C(C=C3)[N+](=O)[O-] 1 3.577 3 3 -1.101025685395 937250 CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=CC=CC=N2 1 2.814 4 1 -11.5227257275773 937249 COC1=CC=C(C=C1)N2C(=NNC2=S)C3=NC=CN=C3 1 1.789 5 1 0 -6.2518561412487 937237 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC(=O)C3=CC=CS3 1 2.277 1 4 -16.1787939910668 937232 C1=CC2=C3C(=C1)C(=O)N(C3=CC=C2)CC(=O)NCC4=CC=NC=C4 1 1.391 3 2 0 -9.04983686715272 937216 C1=CC=C2C(=C1)NC(=N2)SC(F)F 1 3.25 2 0 -0.292098485648166 937215 C1=CC(=CC=C1CSC2=NN=C(N2N)C3=CC=NC=C3)F 1 2.348 5 0 -5.88188108550076 937213 C1=CC=C(C(=C1)C2=NN3C(=NN=C3S2)C4=CC=NC=C4)Cl 1 2.892 5 0 -0.468849184558605 937197 C1COCCN1C2=CC3=C(C=C2)N=C(S3)N 1 1.558 3 1 0 3.5979092517226 937190 CC(C)OC(=O)CSC1=NN=C(N1N)C2=CC=CO2 1 1.539 4 3 0 -13.0720654536392 937180 C1=CC=C2C(=C1)N=CN2N=CC3=CN=CC=C3 1 2.046 4 0 1.1229081625862 937175 CCOC1=C(C=C(C=C1)C=NN2C(=NN=N2)N)O 1 0.671 6 2 0 -2.74165912813839 937163 CC1=CC=CC=C1CSC2=NN=C(N2C)C3=NC=CN=C3 1 2.605 5 0 -10.7241596653751 937147 CCOC1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC=CC=C4 1 3.711 4 1 -1.68966880567797 937133 CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CC=CO3 1 4.605 3 1 -7.30573047515358 937121 COC1=CC=C(C=C1)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N 1 2.592 5 2 0 -2.71290512076267 937062 CN1C(=O)C2=C(N=N1)SC3=C2CCCC3 1 3.001 3 1 -14.8273940184268 937063 C1=CC(=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)Cl 1 2.728 5 1 -4.0889938778104 937065 C1=CC(=CN=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)F 1 2.348 5 0 -7.34433911041468 937067 C1=CC=C(C=C1)C(CC2=NN=C(S2)N)C3=CC=CC=C3 1 3.257 3 0 -3.04391811361034 937068 CC(=O)N1C2(CCCC2)OC(=N1)C3=CC=C(C=C3)Br 1 2.922 2 2 -7.18816868727939 937104 CC1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=CS3 1 4.431 3 0 -7.9670337306719 937102 CCOC(=O)C1=C(N(N=C1)CC2=CC=C(C=C2)C)N 1 2.131 3 2 -9.08156044727015 937087 C1=CC=C(C=C1)NC(=O)NN=CC2=CC=CN2C3=CC=CC(=C3)C(=O)O 1 3.389 4 3 0 -3.52748986177147 937086 COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CCl 1 1.625 5 1 0 -1.78713050447598 937085 CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CN4CCCCC4 1 2.945 3 1 -2.21056525833698 937083 CC(=O)NC1=CC=CC=C1C2=NC3=C(C=C(C(=C3)C#N)C#N)NC2=O 1 1.385 5 2 0 -13.2556796911776 937080 CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)OC 1 3.021 1 3 1.97416360170137 937078 CCOC(=O)CSC1=NN=C(O1)C2=CC=NC=C2 1 1.117 3 3 0 -12.5765584859849 937030 CN1C(=NN=C1SCC2=CC(=CC=C2)OC)C3=CC=NC=C3 1 2.824 4 1 -6.30992136877445 937025 CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=NN3C=NN=C3 1 1.842 5 2 0 -2.84909767283741 936997 CC1=C(C(=CC=C1)NC2=NC(=NC(=N2)N)CCl)C 1 2.614 5 0 2.37872149966623 936991 CC1=NC(=CC=C1)NC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3 1 3.532 2 2 -3.07039338357195 936969 CC1=CC=CC2=C1N(C3=NC4=CC=CC=C4N=C23)CC(=O)OC 1 3.814 3 2 -7.27206910880653 936962 CC1=CC(=NN1C2=NC=C3C(=N2)N(CCOC3=O)C)C 1 0.982 5 2 0 -5.17929238764062 936961 CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=CS3 1 4.294 3 0 -9.66339153722661 936952 CC1=C(OC2=C1C(=NO)CC(C2)(C)C)C(=O)O 1 2.257 1 4 -7.36669197872811 936917 COC1=CC(=CC(=C1)C(=O)N2C=NN=C2N)OC 1 0.61 4 3 0 -5.57464970039842 936916 C1=CC=C2C(=C1)N=CN2N=CC3=CC=C(S3)[N+](=O)[O-] 1 3.168 4 2 3.83711030375392 936912 COC(=O)C1=CC=CC=C1C2=CC=C(O2)C=NNC(=O)N 1 1.869 3 4 0 -6.88137632318173 936911 CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCC3)CC4=CC=CC=C4 1 2.557 5 2 0 -9.98136159723061 936903 COC1=CC=CC(=C1OC)C=NN2C=NC3=CC=CC=C32 1 3.163 3 2 0.790455490202273 936901 CCOC(=O)C1=CC=CC=C1N/C=C/2\CCCC2=O 1 2.315 1 3 -11.2238624176449 936840 CC1=CC(=CC=C1)N2C(=CC(=N2)C)N 1 2.203 3 0 2.90249801655607 936879 CCNC1=NC(=NC(=N1)SC)OC2=NNC(=O)C=C2 1 1.381 6 2 0 -11.8511346376666 936876 CCCN1C=NC2=C(C1=O)SC3=NC4=C(CSC(C4)(C)C)C=C23 1 3.378 3 1 -13.2531156673624 936790 CN1C2=C(C=C(C=C2)F)C3=NC4=CC=CC=C4N=C31 1 3.826 3 0 -0.191581721581013 936788 CN1C2=CC=CC=C2N=C1NCC3=CC=C(C=C3)Cl 1 3.677 3 0 0.842242224521549 936779 CCNC1=NC(=NC(=N1)Cl)SC2=NC(=CC(=N2)C)C 1 2.954 6 0 -4.68476611167116 936761 C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=C(O2)CCN 1 1.135 4 2 0 -16.3560825753732 936754 COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC=CO3 1 1.725 5 3 0 -15.0071941931616 936743 CC1=C(C(=O)N=C(N1)N)CCC(=O)OC 1 -0.137 3 3 0 -15.9030590631062 936738 CCN1CCN(CC1)C2=CC=C(C=C2)N 1 1.551 3 0 0 4.29953813776498 936728 CC(C)(C)OC(=O)NCCC1=NNC(=S)O1 1 1.761 3 3 0 -13.7749766239801 936722 CCOC(=O)C1=C(N=C(S1)NNC(=O)C2=CC=C(C=C2)F)C 1 1.98 3 3 0 -8.0623442147671 936718 C1=CC(=CC(=C1)Br)CSCC2=NN=C(S2)N 1 2.631 3 0 -3.87393954998917 936709 C1=CC=NC(=C1)CNS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.717 2 2 -3.25225985306171 936708 C1CCCC(CC1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.939 2 4 0 -6.82315046532584 936684 CC(C)ON1C(=O)C2=CC=CC=C2N=C1SC(C)C 1 3.535 2 2 -8.67989817340999 936658 C1=CC=NC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)N 1 1.305 5 2 0 -11.6299081096246 936649 C1=CC(=CC=C1CC(=O)NNC(=O)C2=NC=CN=C2)Cl 1 0.698 4 2 0 -8.19032107598932 936638 C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CN=CC=C3)C#N)N 1 2.665 4 0 -4.36346197411106 936637 CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)Cl)C)C=NN3C=NN=C3 1 3.541 5 0 1.56881194486384 936630 CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)OC(C)C 1 2.63 4 2 -13.0960356521602 936618 CN1C=CC(=N1)C(=O)NC(=S)N2CCSCC2 1 1.958 4 1 0 -12.7195522825787 936612 C1=CC=C2C(=C1)N=C(N2N=CC3=CC=C(S3)[N+](=O)[O-])N 1 2.964 5 2 0 10.3440894245569 936611 C1=CC=C2C(=C1)N=C(N2N=CC3=CC=C(S3)[N+](=O)[O-])CO 1 2.757 4 3 0 8.27385984389374 936610 CCN1C(=NN=C1SCC(=O)C(C)(C)C)C2=CC=CC=N2 1 3.163 4 1 -12.3068744028276 936609 CN1C2=CC=CC=C2N=C1NCC3=CC=CC=C3Cl 1 3.677 3 0 -1.90070664466435 936600 CC1=C(C=NC2=C(C(=NN12)C)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 1 2.971 4 1 -5.75865088801213 936578 CCC1=CC=CC=C1OCC2=NN=C(S2)N 1 2.26 3 1 -1.99755454891877 936573 CCN1C(=NN=C1SCC(=O)C(C)(C)C)C2=CN=CC=C2 1 2.734 4 1 -12.9660733720532 936570 COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=NC=CN=C3 1 1.773 5 2 0 -6.48523946224941 936563 CC1=CC(=CC=C1)OCC(=O)N(C)CCC2=CC=CC=N2 1 2.461 2 2 -7.4963486193824 936562 CCN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 2.673 5 0 7.93559100046434 936550 CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)O 1 2.931 0 5 -10.2397967910306 936528 CC1=C(C=NC2=C(C(=NN12)C)C#N)C(=O)NC3=CC=CC=C3 1 1.331 5 1 0 -10.1849235950577 936506 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=CC=N2 1 1.605 3 3 0 -15.796213662064 936498 C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C(=O)C4=CC=CO4 1 3.567 0 4 -4.24062510936809 936476 C1=CC(=CC=C1C=NN2C(=NN=N2)N)Cl 1 1.245 6 0 0 -2.57105442564752 936475 CCOC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)OC 1 2.867 1 4 0.866017189484256 936471 CN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)C4=CC=CO4 1 4.295 3 1 -2.96790080664725 936452 CC(C)OC1=C(C=C(C=C1)C=NN2C(=NN=N2)N)OC 1 1.274 6 2 0 -9.09799957067224 936437 CC1=C(OC2=C1C(=O)CCC2)C(=O)OC 1 1.958 0 4 0 -8.0865086677624 936435 C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 3.744 4 0 4.63395050488486 936432 CC1(CC(=CC(=O)C1)NC2=CC(=C(C=C2)C(=O)O)O)C 1 2.091 1 4 -13.0474177617723 936430 COCC(=O)NC1CCCCCC1 1 1.424 1 2 0 -8.68259465277035 936375 CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)C 1 3.601 4 2 -15.6791249117819 936370 C1=CC=NC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)F 1 2.777 5 0 -6.5195926074255 936364 CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)CCl 1 2.128 5 0 2.52841323928999 936324 CCN1C2=CC=CC=C2N=C1NCC3=C(C(=CC=C3)OC)OC 1 3.328 3 2 -4.1411107040178 936322 CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC=CC=C4 1 2.969 4 0 -1.97268473871865 936319 CC1=NN2C(=C(C=NC2=C1)C(=O)NC3=CC=CC=C3)C 1 1.452 4 1 0 -6.70300721069022 936318 CCCC1=NC2=CC=CC=C2N3C1=C4C(=C3)C(=O)N(C(=O)N4C)C 1 2.692 4 2 -6.35151617733729 936317 CC1=C(N=C(C(=C1C2=CC=CS2)C#N)N)C3=CC=C(C=C3)F 1 4.461 3 0 0.986875044622601 936313 CCON1C(=O)C2=CC=CC=C2N=C1SCC 1 2.78 2 2 -10.3028174599758 936308 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC=CS3 1 3.347 4 1 -14.4707215028991 936298 C1CCN(C1)C(=S)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl 1 5.662 1 1 5.39011863960153 936297 CC(C)OC(=O)CSC1=NN=C(N1C)C2=NC=CN=C2 1 0.969 5 2 0 -15.2861591900961 936291 CC1=CC=NN1CC(=O)NN=CC2=CC=CO2 1 0.725 4 2 0 -16.5124748994108 936270 COC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C4=CC=NC=C4 1 2.553 5 1 -2.43198631127727 936245 CC1=CC2=C(C=C1C)N(C=N2)N=CC3=C(C(=CC=C3)OC)OC 1 4.136 3 2 1.7520024131924 936232 C1=CC=C(C=C1)CN2C(=NNC2=S)COC3=CC=CC4=CC=CC=C43 1 4.429 3 1 -3.50274319192516 936222 CCCN1N=C(N=N1)NC(=O)/C=C/C2=CC=CO2 1 1.926 5 2 0 -8.28071771181487 936217 CC1=CC=NN1CC(=O)NN=CC2=CC=CS2 1 1.283 4 1 0 -17.5125299548678 936202 CN1N=C(N=N1)NC(=S)NC(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.198 6 1 0 -7.64779963627815 936197 CC(=C)CSC1=NN=C(N1N)C2=CC=C(C=C2)OC 1 2.757 4 1 -9.9239131677814 936192 C1=CC=NC(=C1)C2=NN=C(N2N)SCC3=C(C=CC=C3F)F 1 2.982 5 0 -7.51534121100303 936190 CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC=C2)OC 1 1.853 6 2 0 -11.3231935569528 936160 CN1C(=NN=C1SCC2=CC(=CC=C2)F)C3=CC=NC=C3 1 3.046 4 0 -4.32029153840998 936147 CCCN(CCC)C1=NC(=NC2=CC=CC=C21)C3=CC=CC=N3 1 4.112 4 0 1.97743672718338 936130 COC1=CC=CC(=C1)CSC2=NN=C(N2N)C3=CC=NC=C3 1 2.127 5 1 -7.37900844695838 936109 COC1=CC(=C(C=C1)C(=O)NN2C=NN=C2)OC 1 0.2 4 3 0 -6.20537397309544 936105 C1=CN=CC=C1CNS(=O)(=O)C2=CC=C(S2)Br 1 1.528 2 2 0 -2.89795857200061 936094 C1=COC(=C1)C2=NN=C(N2N)SCC(=O)N 1 -4.1e-002 5 2 0 -9.83067560462703 936091 CCN1C(=NN=C1SCC2=CC=C(C=C2)OC)C3=CC=NC=C3 1 3.173 4 1 -6.17937080935019 936087 COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CCC4=CCCCC4 1 3.852 3 2 -3.80205329845402 936082 CC(C)CON1C(=O)C2=CC=CC=C2NC1=S 1 3.179 2 2 -6.58903280912358 936067 COC1=CC=C(C=C1)OC2=CC=C(C=C2)N/C=C/3\CCCC3=O 1 3.654 1 3 -2.95550156176654 936065 CC1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 4.871 3 1 9.20110612947636 936064 CCOC(=O)CSC1=NC(=CC(=N1)OC2=NN(C(=O)C=C2)C)C 1 1.842 4 4 0 -16.6336797300902 936046 C1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=CC=C3)N 1 3.228 3 1 -1.96553568486578 936038 CC1=C(C2=CC(=C(C=C2N1C)Br)OC)C(=O)O 1 2.836 1 3 -1.44788197102684 936029 CN1C2=CC=CC=C2N(C1=S)N=CC3=CC=CS3 1 4.859 3 0 -3.72831558621126 936022 CC1=C(C=CC(=N1)NC(=O)C2=CN=CC=C2)Br 1 1.883 3 1 0 -5.20330936119325 936020 C1=CC(=CC=C1C=NN2C(=NN=N2)N)F 1 0.786 6 0 0 -3.68117609076909 936003 CN1N=C(N=N1)NC(=O)COC2=CC=C(C=C2)C3CCCCC3 1 3.217 5 2 0 -4.95798347959242 936002 CCCN1C2=NC3=CC=CC=C3C=C2C(=N1)NC(=O)C4=CC=CS4 1 4.214 4 1 -6.37496185946539 935984 CCCN1C(=NN=N1)NC(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.668 5 1 -15.643743269285 935979 C1=CC(=CC(=C1)Cl)C2=NN3C(=NN=C3S2)C4=CC=NC=C4 1 2.892 5 0 1.66615848470965 935974 CN1N=C(N=N1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 1.733 6 2 0 -8.34995853665633 935971 CN1N=C(N=N1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Cl 1 3.442 6 1 0 -8.87757270779817 935963 CC1=CC(=S)NC2=C1C=C(C=C2)OC 1 3.054 1 1 -3.21595271276118 935950 CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=CC=NC=C2 1 2.386 4 1 -11.2618817797153 935931 CN1N=C(N=N1)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3 1 2.758 5 2 0 -9.19533572356242 935927 C1=CC=C2C(=C1)C=CC=C2NC3=NC(=NC(=N3)N)CCl 1 2.55 5 0 0.25163880304175 935910 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CCl 1 2.128 5 0 0.248026434428268 935894 C1CN2C(=O)C3=C(N=C2SC1)OC4=C(C3=O)C=C(C=C4)C=O 1 2.076 2 4 -14.478460151794 935887 CN1N=C(N=N1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.085 6 3 0 -10.8103274360562 935878 COC1=CC=CC(=C1)NC2=NC(=NC(=N2)N)CCl 1 1.625 5 1 0 0.584506871504386 935868 CC12CC3(CN(C1)C(N(C2)C3)C4=CC=C(O4)[N+](=O)[O-])C 1 2.299 3 3 -4.55990641393053 935829 CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N=C2C 1 3.092 3 1 -13.8499893735939 935780 C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=NC=CC=N3 1 2.658 3 1 -9.66520320363067 935766 C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)NN 1 1.907 2 2 0 -4.95413382188383 935764 CC1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3O2 1 4.315 0 2 2.80401002473919 935760 CCC1=CC(=CC=C1)OCC(=O)NC2=CNC(=O)NC2=O 1 0.255 3 4 0 -13.3126663323816 935758 CNC(=S)NNC(=O)CC1=CC=C(C=C1)OC 1 1.438 3 2 0 -10.4938749329012 935742 CC1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC 1 2.91 5 1 3.023296097165 935738 CC1=C(C(=NN1)C)CCC(=O)NN=CC2=C(C=CC(=C2)OC)OC 1 2.013 4 3 0 -9.74187974978116 935725 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.724 3 2 0 -4.1891764243241 935722 C1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)OC3=CC=CC=C3 1 4.386 3 1 -0.775856458241982 935720 C1=CC=C2C(=C1)C(=CC(=N2)Cl)C(=O)OC3=CC=C(C=C3)C=O 1 4.081 1 3 -9.48465976048367 935695 CCOC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CCCCC3)C 1 2.847 4 2 -0.16220424153769 935692 CC1=CC(=NN1)NC(=S)NC2=CC(=C(C=C2)OC)Cl 1 3.671 4 1 -7.03324622435773 935678 CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3CC3 1 2.238 1 4 -20.5008608255559 935674 COC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N)C(F)(F)F)OC 1 2.165 5 2 0 -3.69445182595383 935669 CC(=O)NC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)Cl 1 3.065 2 2 5.97560850674553 935668 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Br)OC 1 1.678 1 3 0 -7.25757258773927 935666 C1=CC(=CC=C1CC2=NNC(=S)O2)Cl 1 3.242 2 1 -2.68097116400269 935663 CCN1C(=C2C(=NN=C(C2=C1C)C)C)C 1 1.625 3 0 0 -1.96556366188248 935653 CC1=CSC(=N1)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 1.524 4 3 0 -13.0359523912305 935651 C1CCC(CC1)CC2=NC(=NO2)C3=CC=CC=N3 1 3.13 3 1 2.58152453287342 935650 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F 1 2.939 3 1 -1.20867676967409 935646 C1=CC=C(C(=C1)COC(=O)C2=CC=C(C=C2)N3C=NN=C3)Cl 1 3.079 3 2 -0.802839827703688 935632 COC1=CC=C(C=C1)C(=O)NC2=NC(=O)C3=CC=CC=C3N2 1 2.257 3 3 -9.01105898535444 935627 CC1=CC(=NC2=NC(=NN12)NCC3=CC=CC=C3)C 1 2.246 5 0 -6.33835807192695 935626 CC(C)CNC1=NC(=NC(=N1)N2CCOCC2)SC 1 1.808 5 1 0 -4.42728295416869 935619 CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)F 1 2.402 1 3 -14.3369404236763 935614 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC=CC=C2 1 2.743 2 3 -18.2939218804304 935612 C1=CC=C(C(=C1)C(=O)NCCC2=CC=NC=C2)F 1 1.997 2 1 0 -8.69142776813213 935607 C1=CC(=CC(=C1)NCC2=CN=CC=C2)C(=O)O 1 1.701 2 2 0 -5.34025090001288 935604 CC1=NC=C(N1CC(=O)NC2CCCCC2)[N+](=O)[O-] 1 1.12 4 3 0 -14.2275939252189 935601 CCOC1=C(C=C(C=C1)C)S(=O)(=O)N2CCCCC2 1 2.682 1 3 -12.0680101802945 935600 CC(C)COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F 1 1.43 2 5 0 -13.6761326459992 935598 COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3 1 2.371 1 5 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CN1C2=CC=CC=C2N=C1CN(C)C(=O)C3=CC=CS3 1 2.695 3 1 -3.83355077916117 935524 CSC1=NC2=C(N1)C(=NC=N2)N 1 0.638 5 0 0 -1.18098555401755 935496 CCC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)OCC 1 4.256 1 3 -6.67625984635723 935475 COC1=C(C=CC(=C1)S(=O)(=O)N2CCN=C2C3=CC=CC=C3)F 1 2.663 2 3 -7.57878217529129 935474 CN1C2=CC=CC=C2N=C1CN(C)S(=O)(=O)C 1 0.868 3 2 0 -0.53378611325035 935473 CC1(CN=C(S1)NCC2=CC=CC=C2Cl)C 1 3.484 2 0 -5.18348763962718 935468 C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C4=CN=CC=C4 1 3.127 2 1 -3.70383735277466 935465 CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCC3=CC=CC=C3C2 1 2.818 2 3 -12.7245483176651 935464 CCNS(=O)(=O)C1=C(C=CC(=C1)Br)OC 1 1.821 1 3 0 -6.8262919733539 935461 COC1=C(C=CC(=C1)S(=O)(=O)NC2CCCC2)F 1 2.332 1 3 -7.79056110696451 935459 C1=CC(=CN=C1)NC(=O)NCC(F)(F)F 1 0.803 3 1 0 -7.38222265599248 935400 CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N 1 3.413 2 1 3.55030191067565 935408 CC1=CC=CC2=CC(=C(N=C12)OC)C3=NOC(=N3)C4=CC=CO4 1 3.735 3 3 1.96769342521661 935415 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2 1 3.644 1 1 1.17395269977727 935443 CC1=C(C=C(C=C1)NC(=S)NC2=NNC(=C2)C3=CC=CC=C3)Cl 1 5.837 4 0 0.498607038709806 935440 CN1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N 1 2.098 5 3 0 -0.453607227544571 935439 C1CN(CCN1C2=CC=C(C=C2)N)C(=O)C3=CC=CO3 1 1.522 3 2 0 0.194692096007391 935434 CCCC1=CC(=O)N2C(=N1)N=C(N2)CC3=CC=CC=C3 1 1.841 4 1 0 -4.91874269522718 935424 CCOC(=O)C1=C(N=C(S1)NC2=CC=CC(=C2C)C)C 1 3.49 2 2 -3.41625908957012 935391 CCOC1=C(C(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C)C 1 3.827 1 3 -0.978055823786503 935390 C1CCN(CC1)CCN2C(=O)C3=CC=CC=C3NC2=S 1 3.198 3 1 -5.79933669634228 935388 CCOC(=O)C1=CN=C2N=C(NN2C1=O)CC3=CC=CC=C3 1 0.512 4 3 0 -8.4338504218704 935387 CC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=C(C=C(C=C2)C)C 1 6.135 4 0 -6.27287020762761 935381 C1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=N2)N)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.836 4 4 0 -2.63723732571889 935379 CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=N2)N)C3=CC=CC=C3 1 3.428 3 2 -0.808276173221848 935375 CC1=CC(=NC(=N1)NC2=NNC(=N2)COC3=CC=CC=C3)C 1 2.091 6 1 0 -2.81919485904786 935373 CCC1=NC(=NO1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.158 3 5 0 -16.6961034779479 935358 CN1C(=NC(=N1)[N+](=O)[O-])OC2=CC=CC=C2C(=O)N3CCOCC3 1 1.414 5 5 0 -10.8697138849042 935351 CN1C(=O)C=CC(=N1)OC2=NC(=NC(=N2)N(C)C)SC 1 1.444 6 2 0 -7.49268463242367 935349 COC(=O)C1=CN(C(=O)C(=C1)Br)C2=CC(=CC=C2)F 1 1.932 1 3 0 -4.85453857037801 935346 C1=CC=C2C(=C1)C=C(O2)C(=O)NN=CC3=CC=CO3 1 2.673 2 3 -0.865215449069497 935345 CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)OC)C 1 3.479 1 3 -3.42806078860987 935339 CCN(CC(=O)N1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 0.913 2 4 0 -14.1958143761827 935338 COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2OC(F)F 1 3.239 1 4 -6.50902949372947 935333 CCOC1=C(C=C(C=C1Br)CNC2=NC=NN2)OC 1 2.115 4 2 -7.34650732519307 935330 CC1=C(C2=C(N1C)C3=CC=CC=C3C(=C2)OC)C(=O)O 1 2.996 1 3 -0.166342142300468 935329 C1=CC(=CN=C1)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl 1 3.953 2 1 -2.97976837104639 935328 C1CCC2(CC1)C(=O)N(C(=O)N2)C3=CC(=CC=C3)Cl 1 3.214 2 2 1.80485082775729 935327 CC1=CSC(=N1)NC(=O)CSCC(=O)NC2=CC=CC=C2 1 1.347 3 2 0 -8.63544205957847 935325 C1=CSC(=C1)C2=CC=C(N2C3=CC=C(C=C3)C(=O)N)CCC(=O)O 1 3.462 2 3 -10.2961889864843 935316 COC1=C(C=CC(=C1)S(=O)(=O)NC2CCCCC2)F 1 2.788 1 3 -8.14502962113258 935300 COC1=CC=CC=C1C2=CC(=NC(=O)N2)C3=CC=CC=C3 1 3.176 2 2 -2.20731327425227 935299 C1CCC(C1)N(CC2=CC=CS2)C(=O)NC3=CC=CC=C3 1 3.877 2 1 -4.76053025716509 935297 CC1=CC=CC=C1C=NNC(=O)CSC2=NC3=CC=CC=C3O2 1 3.63 3 2 -6.43959713783023 935294 CC1=C(C=CC(=C1)S(=O)(=O)NC2CCCC2)F 1 2.834 1 2 -7.57877438624441 935288 C1=COC(=C1)C(=O)NN2C(=CC=C2C3=CC=CS3)CCC(=O)O 1 3.112 2 4 -10.1329344154521 935278 C1CCC(C1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.666 3 3 -6.63051240778626 935269 CN(CC1=CC2=CC=CC=C2NC1=O)S(=O)(=O)C3=CC=CC=C3 1 1.913 2 3 0 -9.67439112384324 935267 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)NC(C)C 1 2.445 3 4 0 -11.7946941139841 935266 CCOC1=CC=C(C=C1)NC(=S)NC2=NNC(=C2)C 1 3.355 4 1 -7.23778282357197 935259 C1=CC=C(C=C1)CN(CC2=CC=NC=C2)C(=S)NC3=CC=CC=C3 1 5.064 3 0 -8.34690496701589 935255 C1=CC=C(C(=C1)CN2N=C(N=N2)C3=CC=C(C=C3)OCC(=O)O)F 1 2.759 4 3 0 -4.6216306484552 935252 CCOC(=O)NC1=CC=CC=C1C(=O)NC2=CC(=CC(=C2)C)C 1 3.699 2 3 -9.52581707218058 935251 CCOC1=CC=C(C=C1)CNC(=S)NN=CC2=CC=NC=C2 1 2.996 4 1 -7.76616573861185 935245 C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)Cl 1 3.334 2 2 -2.72368881042062 935241 CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 2.983 3 1 -2.18026944844414 935238 COC1=CC=CC=C1OC2=NN=NN2C3=CC=C(C=C3)C(=O)N 1 1.804 5 3 0 -12.5959662637877 935234 CC1(CC2=C(CN(CN2)CC3=CC4=C(C=C3)OCO4)C(=O)C1)C 1 2.035 2 3 -13.0202280969945 935233 CCOC(=O)/C(=C/1\CCCN1CC(=S)N)/C#N 1 0.711 3 2 0 -9.32275637315414 935232 COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC=C(C=C2)Cl)F 1 2.559 2 3 -2.15865751658867 935230 CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)F 1 2.858 1 3 -14.3369404236763 935229 CC1=CN=C(S1)NCCC2=CC=CC=C2 1 2.213 2 0 5.33168336839398e-002 935215 CCC(=O)NC(=S)NC1=C(C(=CC=C1)Cl)N2CCCC2 1 4.056 3 1 -6.13620601337335 935214 COC1=CC=C(C=C1)C2(CCCC2)C(=O)NC3=NN=CS3 1 2.527 3 2 -9.75677370468507 935213 C1=CC=C2C(=C1)C=CC(=N2)C3=NNC(=S)N3C4=CC=CC=C4F 1 4.498 4 0 -1.17924523935004 935211 C1CC1NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O 1 0.979 5 3 0 -25.5343367084377 935210 CC1=CC2=C(S1)N=C(OC2=O)C3=CC=C(C=C3)F 1 3.278 1 2 -1.86002084764745 935207 CN1C(=NC(=N1)[N+](=O)[O-])OC2=CC=CC=C2F 1 2.518 4 3 0 -6.70782513998375e-002 935206 CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC=CO3 1 3.142 3 2 -2.37898798588307 935204 CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C)OC 1 2.335 3 3 -20.1793501990955 935202 C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)NC3=C(C=C(C=C3)Cl)Cl 1 3.511 2 3 -2.86961069248924 935199 CCC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C)OC 1 3.729 1 3 -4.49694437651185 935194 CC1=CC=C(C=C1)C2=NN=C(SC2)NC(=O)C(F)(F)F 1 3.506 3 1 -4.62548519172765 935192 COC1=C(C=C(C=C1)F)S(=O)(=O)NC2CCCC2 1 2.332 1 3 -8.36272128834538 935190 C1=CC(=CC(=C1)NCC2=CC=NC=C2)C(=O)O 1 1.701 2 2 0 -3.24397172385482 935188 CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3 1 3.329 1 4 -5.82413337848844 935180 CN1C=CC=C1C=NNC(=O)CSC2=NC3=CC=CC=C3N2 1 2.725 5 1 -10.2513467656314 935179 C1CC2=C(C1)N=C3N=C(NN3C2=O)CCC4=CC=CC=C4 1 1.916 4 1 0 -7.12539747104993 935175 CSC1=NSC(=N1)SCC(=O)NC2CCCCC2 1 3.222 3 1 -13.6831849417082 935163 C1=CC(=CC=C1C(=O)O)NCC2=CC=NC=C2 1 1.701 2 2 0 -4.14256339391279 935161 CCOC1=C(C=C(C=C1)C(C)C)S(=O)(=O)N2C=CN=C2C 1 2.861 2 3 -4.89353094693 935160 CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)NC(=O)C3=CN=CC=C3 1 2.735 3 2 -10.8909711817647 935158 CC1=C(SC(=S)N1C)C(=O)NN=C(C)C2=CC=CC=C2 1 3.003 3 1 -10.2190254405067 935157 CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3)C 1 3.359 1 4 -6.86122644914019 935156 CCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)N2CCOCC2 1 2.647 1 4 -14.1200673751465 935154 CCOC1=CC=CC=C1C=NN2C(=NNC2=S)C3CCCCC3 1 4.541 4 1 -4.72884423594345 935151 CN1C2=C(N=C1OC3=CC=CC=C3N)N(C(=O)N(C2=O)C)C 1 1.255 5 3 0 -9.88879830962442 935150 COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC3CCCCC3 1 2.909 1 4 -12.202549483894 935108 C1=CC=C(C=C1)NC2=NC(=O)C3=C(S2)C=CC(=C3)[N+](=O)[O-] 1 3.501 3 3 -4.09834890806739 935141 CC1=C(C(=O)N2C(=N1)N=C(N2)CC3=CC=CC=C3)CC(=O)OC 1 0.711 4 3 0 -11.5517223231719 935137 CNC(=O)C1=CC2=C(C=C(C=C2)OC)OC1=O 1 1.051 1 4 0 -12.9550747229631 935136 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=CC=C3 1 4.209 4 0 -3.65952071667458 935119 CCOC1=C(C=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=N2)C 1 3.61 3 3 -7.69285185808059 935118 COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C3=CC=CS3 1 2.7 1 3 -19.0556640276967 935117 CCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)N 1 2.259 2 3 -7.59559037948249 935115 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC3=C2C=CC=N3 1 2.751 2 4 -9.70066880948584 935096 COC1=CC=C(C=C1)/C=C/C(=O)NC2=C(N=CC=C2)Cl 1 2.789 2 2 -4.2247638244718 935095 COC1=CC=C(C=C1)C2(CCCC2)CNC(=O)CCC(=O)O 1 2.241 1 4 -22.6918367339956 935083 CCCN1C2=C(C=C(C1=N)C#N)C(=O)N3C=CC=CC3=N2 1 0.797 5 1 0 -18.4761063851505 935079 CCOC(=O)C1=C(N=C(S1)NC2=CC=C(C=C2)F)C 1 2.723 2 2 -5.16956814670045 935078 CC(C)NC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)OC 1 1.05 5 3 0 -15.8739931833279 935074 CCS(=O)(=O)C1=NC2=CC=CC=C2N1CC(=O)N3CCOCC3 1 0.921 3 4 0 -19.6053019341308 935066 CCOC1=CC=C(C=C1)NC(=S)NC2=NNC(=C2)C3=CC=CC=C3 1 5.019 4 1 -0.97260027182944 935064 CN(CC(=O)O)S(=O)(=O)C1=C(C=CC(=C1)OC)OC 1 0.395 1 6 0 -9.36786194197214 935063 CNC(=O)CCC(=O)NC1=CC=C(C=C1)C(=O)OC 1 0.229 2 4 0 -12.0988860666938 935062 CN1CCN(CC1)C2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)Cl 1 3.433 3 1 -0.745013057130709 935053 C1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=N2)N)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.836 4 4 0 -3.32416718350004 935049 CCC(=O)NC1=C(C=CC(=C1)Cl)N2CCN(CC2)C(=O)CC 1 2.327 3 2 -5.71463402073154 935042 CC1=C(C(=NC2=NC(=NN12)COC3=CC=CC=C3)C)Cl 1 2.925 4 1 -5.03690656531889 935041 CC1=NN=C(S1)SCC2=CC=CC3=CC=CC=C32 1 3.598 2 0 -8.6932499366255 935040 CCC1=CC=C(C=C1)OC2=NC(=NN2C)[N+](=O)[O-] 1 3.255 4 3 0 -0.948054077895845 935039 C1CN(CC2=CC=CC=C21)CC(=O)NC3=C(C=C(C=C3)F)F 1 3.025 2 1 -7.99207377095023 935032 CC1=C(C(=NC2=NC(=NN12)C3=CC=CO3)C)Cl 1 2.485 4 1 1.03178021825184 935028 COC1=CC=C(C=C1)C2=NC(=NO2)C(=O)OC 1 1.465 2 4 0 0.449492086516141 935027 CCCC(=O)NC(=S)NC1=C(C(=CC=C1)Cl)N2CCCCC2 1 4.968 3 1 -11.5160824758045 935025 CC1(CN=C(S1)NC2=NC3=CC=CC=C3S2)C 1 3.438 3 0 -1.09582936644563 935019 CN1C2=CC=CC=C2N=C1CN(C)S(=O)(=O)C3=CC=C(C=C3)F 1 2.65 3 2 -0.332848347513831 935017 CC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)Br 1 3.038 1 2 -7.86931902042805 935003 CC1=C(C=C(C=C1)NC(=S)NC2=NNC(=C2)C)Cl 1 4.173 4 0 -5.95487210736652 935000 CN(C)C1=NC(=NC(=N1)NCC(=O)OC)OC 1 7.7e-002 5 3 0 -11.4764633801096 934996 CN1C(=NC(=N1)[N+](=O)[O-])OC2=CC=CC=C2N 1 1.566 5 3 0 -2.99417564919528 934995 C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CC(=O)NCC4=CC=CC=C4 1 1.916 5 3 0 -10.1108801220813 934986 C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC(=NC(=N3)N)CCl 1 3.424 5 0 0.971098622160447 934982 CC1=CC(=NN1C2=NC(=NC(=N2)N(C)C)N3CCOCC3)C 1 0.935 7 1 0 -4.82579728265259 934975 COC1=C(C=CC(=C1)S(=O)(=O)NC2CCCCC2)Cl 1 3.247 1 3 -10.1676507504288 934966 C1=CC=C(C=C1)C2=CC(=NN2)NC(=S)NC3=CC(=C(C=C3)F)Cl 1 5.557 4 0 1.9652140762514 934965 CN1CCN2C1=NC(=NC2=O)N3CCOCC3 1 -1.6e-002 5 2 0 -7.65027552822366 934962 CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.628 4 3 0 -5.44821319809876 934951 C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3)F 1 2.592 1 4 -4.8728182172441 934950 C1CCC(C1)C(=O)NC(=S)NC2=CC=CC=C2Br 1 4.52 2 1 -5.05029386677868 934945 CON1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3 1 3.666 2 2 -12.958075723885 934944 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCCCC2 1 2.714 2 3 -10.4969877884924 934943 CC(=O)NC1=NC(=CC(=N1)OC)OC 1 0.738 3 3 0 -7.20082780543405 934942 C1=CC(=C(C=C1Cl)Cl)NC2=NC(=NC(=N2)N)C(F)(F)F 1 3.526 5 0 1.55053525623767 934929 C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3 1 3.44 2 2 -2.99036750836568 934925 C1CCN(C1)C2=C(C=CC=C2Cl)NC(=O)C3=CC4=CC=CC=C4O3 1 4.497 2 2 0.919182671271819 934923 CC1=C(C(=O)N2C(=N1)N=C(N2)CC3=CC=CC=C3)Cl 1 1.23 4 1 0 -4.14583185061966 934914 CC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)OC 1 2.243 2 4 -16.2965978049965 934909 CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CN(C)CC4OCCO4 1 1.785 3 3 0 -1.97900621795799 934908 COC1=C(C=CC(=C1)S(=O)(=O)NC2=CN=CC=C2)F 1 1.356 2 3 0 -4.03452634607396 934907 CCC1=CC=C(C=C1)OC2=NN=NN2C3=CC=C(C=C3)C(=O)N 1 2.763 5 2 0 -9.93079919082869 934904 CCN(CC(=O)N1CCCC1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.686 2 3 0 -12.273049412239 934901 CCOC1=C(C=C(C=C1)C)S(=O)(=O)NC2=CN=CC=C2 1 1.985 2 3 0 -4.56697379495679 934900 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(N2)C=CC=N3 1 1.965 4 3 0 -15.4226603472111 934896 C1CN(CCN1CC2=CC=CC=C2)C3=NC(=O)C=C(N3)C4=CC=CC=C4 1 2.744 4 1 -3.14136960793154 934890 CC1=CC=CC=C1NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C 1 2.102 4 2 -16.958897605271 934887 CCOC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CCOCC3)C 1 1.618 4 3 0 -2.56081045244978 934874 CCNS(=O)(=O)C1=C(C=C(C(=C1)OC)Cl)OC 1 1.721 1 4 0 -8.83355595825154 934870 CCOC1=C(C=C(C=C1)CCNC(=O)NC2=CC=CC=C2C)OCC 1 4.002 2 3 -14.9962636964307 934859 CNC(=O)C1=CC2=CC(=CC(=C2OC1=O)OC)Cl 1 1.716 1 4 0 -11.5107386781275 934858 C1=CC(=CC=C1CSC2=NNC(=N2)N)F 1 2.236 4 0 -2.40204333429844 934846 CCN(CC(=O)NC1CC1)S(=O)(=O)C2=CC=C(C=C2)C 1 1.331 2 3 0 -18.0956555240065 934843 CC1=C(C=C(C=C1)NC(=S)NC(=O)C2CCCC2)C 1 4.744 2 1 -4.82240748798128 934837 C1CSC(=N1)NC2=CC(=C(C=C2)F)Cl 1 3.1 2 0 -4.17229398612745 934833 C1=CC=C(C(=C1)C(F)(F)F)N2C(=NNC2=S)C3=NC=CN=C3 1 2.748 5 0 -5.20335691387354 934830 C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)Br)OC(F)F 1 3.383 1 3 -6.01783889393543 934828 CCN(CC)C1=NC(=NC(=N1)N2CCOCC2)OC3=NNC(=O)C=C3 1 0.623 7 3 0 -12.4242147133248 934815 CC1=C(C=CC(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N)[N+](=O)[O-] 1 1.288 3 5 0 -12.7753188134401 934804 CC(C)CC(=O)NCCC1=CC=NC=C1 1 1.502 2 1 0 -11.7796860485904 934801 C1=CC=C(C=C1)C2=CC(=NN2)NC(=S)NCC3=CC=CO3 1 3.598 4 1 -4.18376378474033 934799 C1CCN(CC1)C2=NC(=O)N3CCOC3=N2 1 1.655 4 2 0 -3.99942938246394 934797 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC=C2C 1 3.273 1 3 -3.81458996341123 934786 CC1=CC(=NC(=N1)SCC(=O)NC2=CC=NC3=CC=CC=C32)C 1 2.502 4 1 -14.0272389499847 934779 CCC(=NNC(=O)NC1=NON=C1N)C2=CC(=C(C=C2)OC)OC 1 1.342 6 4 0 -15.6782649661376 934768 CC1=NC(=CC=C1)NC(=O)NCC(F)(F)F 1 1.624 3 1 0 -6.50937344970025 934761 CC1=C(C=C(C=C1)OCC(=O)NN=CC2=CC=NC=C2)C 1 2.34 3 2 -5.33883510994894 934750 C1=COC(=C1)CNC(=O)NCC(F)(F)F 1 1.142 2 2 0 -10.0139115334575 934745 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3 1 2.497 3 1 -2.62995504886573 934744 CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NCC1=CN=CC=C1 1 2.574 3 1 -10.3250340081389 934743 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C3=C(C4=CC=CC=C4O3)C 1 4.341 5 1 2.97153374196077 934737 CC(=O)NC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OC 1 2.942 2 2 0.421072450075981 934731 CCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)N2CCN(CC2)C 1 2.917 2 3 -11.588751097345 934728 CCC1=C(NC(=NC1=O)N2CCN(CC2)CC3=CC=CC=C3)C 1 2.411 4 1 -6.29978149977193 934725 CCOC1=C(C=C(C(=C1)C)S(=O)(=O)NC2CCCCC2)C 1 3.904 1 3 -6.212194731827 934723 C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3 1 0.704 1 5 0 -18.4401328234301 934719 CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)F 1 1.172 1 4 0 -16.295123145126 934717 CC(C)CNC1=NC(=NC(=N1)OC2=NNC(=O)C=C2)N(C)C 1 1.224 7 2 0 -15.0224196089205 934713 CCC1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC=CC=C3 1 4.655 3 0 -6.48750470621138 934705 COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=NC=C2)F 1 1.356 2 3 0 -2.56881992851928 934704 CCN(CC(=O)NC)S(=O)(=O)C1=CC=C(C=C1)C 1 0.841 2 3 0 -15.9176449093596 934699 C1CC2=C(C1)N=C3N=C(NN3C2=O)CC4=CC=CC=C4 1 1.459 4 1 0 -7.10610954979207 934688 COC1=C(C=CC(=C1)S(=O)(=O)NC2CCCC2)Cl 1 2.791 1 3 -9.81318223626068 934679 C1=CC=NC(=C1)SCC(=O)NC2=NC=C(C=C2)Br 1 2.533 3 1 -12.3344955087595 934678 C1CCN(C1)C2=C(C=CC=C2Cl)NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 3.316 3 4 0 -3.1573917883045 934677 CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2C=NC3=CC=CC=C32 1 4.339 2 2 -1.94515451993749 934673 CC1=C(C=CC(=C1)OC2=NN=NN2C3=CC=CC=C3)Cl 1 3.969 4 1 -3.69375624530101 934666 CC(C)(C)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C 1 2.288 2 3 -8.69572669898883 934665 CC1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC=CC=C3 1 4.171 3 0 -0.81423510144873 934664 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC(=O)C3=CC=C(C=C3)F 1 4.059 1 3 -7.5874311557983 934661 CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2CCCC2 1 3.976 2 3 -8.99689958189824 934660 CC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CC=CC=C2OC 1 2.777 1 4 -5.88894773009259 934656 CC1=CC(=NC2=NC(=NN12)C3=CN=CC=C3)C 1 1.275 5 0 0 -5.84920649202398 934653 CN1C2=CC=CC=C2N=C1CN(C)C(=O)C3=CC=CO3 1 2.137 3 2 -2.19199871293635 934649 CC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC(=C(C=C3)F)OC 1 3.152 2 3 -1.70577927565599 934644 CNC(=O)C1=CC2=C(C=CC(=C2)CC3=CC=CC=C3Cl)OC1=O 1 3.707 1 3 -12.5699039033353 934640 CNC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC 1 2.588 1 3 -11.7474969151928 934599 CC1=CC(=NC2=NC(=NN12)CC3=CC=CC=C3)C 1 2.46 4 0 -7.94547665467262 934598 COC1=CC=C(C=C1)C2(CCCC2)CNC(=O)C3=CC=C(C=C3)N 1 3.313 2 2 -14.272886129943 934597 CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)N)F 1 0.959 2 4 0 -15.1679637983768 934596 CC1=C(N=C(C(=C1C2=CN=CC=C2)C#N)N)C3=CC=C(C=C3)OC 1 3.135 4 1 1.1220125553395 934593 CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC 1 2.235 2 4 -15.5009483492677 934591 CC1=CC=CC(=N1)C=NNC(=O)CN2C(=CC(=N2)C)C 1 1.173 5 1 0 -13.4118804152937 934582 C1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=CC=CO3)CCC(=O)O 1 3.158 2 4 -7.16370488682467 934575 CCS(=O)(=O)C1=NC2=CC=CC=C2N1CC(=O)N3CCCCC3 1 2.15 3 3 -18.0370054843552 934573 C1=CC=C(C(=C1)CN2N=C(N=N2)C3=CC=CS3)Cl 1 3.706 4 0 -1.7546892192129 934568 CCN(CC(=O)N1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)C 1 0.735 2 4 0 -16.0178130667695 934565 C1=CC2=C(C=C1F)C(=O)C(=CO2)C=NNC(=S)N 1 1.416 3 2 0 -1.62839785894983 934563 CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2OC(F)F 1 3.752 1 3 -7.69673341464077 934561 C1=CC=NC(=C1)C2=NN=C(N2N)SCC(=O)N 1 -0.158 6 1 0 -11.1495507505151 934559 CC1=C(C(=O)N2C(=N1)N=C(N2)C3=CC=CO3)CC(=O)OC 1 7.2e-002 4 4 0 -8.99857493753882 934558 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2CCCCCC2 1 3.525 1 3 -8.3341335151682 934551 C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F 1 3.811 2 1 -1.35656182353772 934550 CC1=CC(=NN1)NC(=S)NC2=CC=CC3=CC=CC=C32 1 3.931 4 0 -6.03050137835698 934546 CCN(CC(=O)N1CCCC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.93 2 3 0 -14.6365716876224 934541 CCN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=C(C=C2)C 1 2.421 2 3 -14.4495166169939 934537 CC1=CC(=NC(=N1)NC(=O)NC(=O)C2=CC=CC=C2)C 1 1.702 4 2 0 -6.78279100424614 934533 C1=CC=NC(=C1)NC(=O)NCC(F)(F)F 1 1.342 3 1 0 -6.68817590198655 934530 CC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)Br 1 3.3 2 1 -14.1086594656802 934518 C1CCN(C1)CC(=O)NC2=CC=C(C=C2)F 1 1.623 2 1 0 -3.52948311067569 934512 CC1=C(OC2=CC=CC=C12)C3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N 1 4.06 5 1 3.87170736175983 934511 CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CCCCC3 1 1.352 2 3 0 -16.1567934745762 934507 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC(=CC=C2)OC 1 2.771 1 4 -2.03464000063087 934505 CSC1=NSC(=N1)SCC(=O)N2CCC3=CC=CC=C32 1 3.221 3 1 -14.2989848807385 934503 COC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2=CC=CS2 1 1.595 2 4 0 -14.7173476673066 934502 CC1=CC(=C(C=C1Cl)S(=O)(=O)N(C)C)OC 1 2.081 1 3 -3.70000198782817 934490 CN1C2=CC=CC=C2N=C1CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl 1 3.109 3 2 0.777273317607736 934489 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CC3 1 1.631 3 3 0 -15.4894234445375 934475 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CO3)C4=NC5=CC=CC=C5S4 1 4.296 3 2 -9.04020205441871e-002 934473 C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(O3)C4=CC=NC=C4 1 3.553 3 1 -3.87788434500933 934461 C1CC(=O)N(C1)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)F 1 2.111 2 3 -11.5520058089631 934453 C1=CC=C(C=C1)SCCN2C(=O)C3=CC=CC=C3C2=O 1 3.052 1 2 -2.68334364843232 934441 CC1=NC(=NN1)S/C(=C/2\C3=CC=CC=C3NC2=O)/C(=O)O 1 1.206 4 3 0 -5.90859690604332 934406 C1=CC=C(C(=C1)C#N)OCCN2C(=O)C3=CC=CC=C3C2=O 1 2.373 2 3 -3.88481181728702 934383 CC(C)C1=CC=C(C=C1)OCC(=O)NNC(=O)C2=NC=CN=C2 1 1.028 4 3 0 -10.4952807151791 934382 CC1=CC(=C(C=C1)[N+](=O)[O-])OCCN2C=NC3=CC=CC=C32 1 3.564 3 3 -6.11052676076982 934375 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 2.67 4 2 -12.7354009759469 934374 C1CCC(CC1)NC(=O)NCC2=CC=C(C=C2)N3CCCC3=O 1 2.393 3 2 -19.2768554160027 934368 C1CN(CCN1C2=CC=C(C=C2)F)C(=S)C3=CC=C(C=C3)[N+](=O)[O-] 1 4.396 3 2 -0.732879335419121 934365 CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)N4C=CC=N4)C 1 4.311 4 1 1.42510097753438 934364 CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=C)C 1 3.26 4 0 -9.51094695863726 934354 CC1=CC=C(C=C1)C2=C3C(=C4N2N=CC=C4)N(C(=O)N(C3=O)C)C 1 2.637 4 2 -6.27276115970427 934351 CCCN(CCC)S(=O)(=O)C1=CC=CC(=C1)C2=CSC(=N2)C 1 3.355 2 2 -7.30277170094426 934321 CN1C=C(C2=CC=CC=C21)C(=O)CCl 1 2.601 1 1 -2.49888635075826 934306 CC(C)OC(=O)CSC1=NN=C(N1N)C2=CC=CC=N2 1 1.421 5 2 0 -14.3909405995273 934304 CC1=CC=NN1CC(=O)NN=CC2=CC3=C(C=C2)OCO3 1 1.098 4 3 0 -17.8459056011493 934303 CC1=C(N=C(C(=C1C2=CC=CS2)C#N)N)C3=CC=CC=C3 1 4.255 3 0 -0.296912623682631 934301 C1CN(CCN1C2=CC=CC=C2F)C(=S)C3=CC(=CC=C3)[N+](=O)[O-] 1 4.396 3 2 -2.99866276343905 934282 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=NC=CN=C3 1 2.292 5 0 -5.83888993210456 934278 CCCN1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NC(=O)C4=CC=CO4 1 4.142 4 2 -3.54610504874767 934277 C1=CC(=CN=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)F 1 1.401 6 1 0 -12.8098298424935 934271 C1CN(C2=CC=CC=C21)C(=O)COC3=CC=C(C=C3)Br 1 3.479 1 2 -9.0006857343054 934269 CCOC(=O)C1=CN=C(N=C1C)NC2=NC3=CC=CC=C3O2 1 2.039 4 3 0 -5.99059071208125 934233 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Br)N 1 1.013 1 2 0 1.07904338712804 934228 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3)F 1 4.041 2 3 -13.4324298704925 934194 CC1=NC2=CC=CC=C2N1N=CC3=CC=C(S3)[N+](=O)[O-] 1 3.429 4 2 7.50379062609772 934155 COC1=C(C=CC(=C1)/C=C\2/CCCC(=C2O)C(=O)C(F)(F)F)O 1 3.765 0 4 -3.34296775630758 934139 CC1=CC2=C(C=C1C)N(C=N2)N=CC3=CC=C(S3)[N+](=O)[O-] 1 4.141 4 2 4.70126300021926 934138 CN1N=C(N=N1)NC(=O)CSC2=CC=C(C=C2)Cl 1 2.248 5 1 -6.0985892929971 934125 CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3 1 3.147 4 1 -5.26470977194063 934118 CCN1C(=O)C2=C(N=C1SCC(=O)N)SC3=C2CCN(C3)C 1 1.452 4 2 0 -23.7370179890319 934117 C1CCN(C1)C2=NC(=O)/C(=C/C3=C(NN=C3)C4=CC=CC=C4)/S2 1 3.123 4 1 -4.56988835080912 934113 CC1=CC=NN1CC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] 1 1.302 5 3 0 -12.4518501078498 934111 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=C(NC4=CC=CC=C43)C(=O)O 1 3.065 2 5 0 -6.06158674483509 934102 CC1=CSC2=NC3=CC=CC=C3C(=O)N12 1 1.971 2 1 0 -9.97276841667459 934100 CN1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=CS2 1 2.826 3 1 -8.90455190413939 934091 CC1=C(N=C(C(=C1C2=CN=CC=C2)C#N)N)C3=CC=C(C=C3)F 1 3.357 4 0 2.24685578994889 934068 COC1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C(=O)N2N 1 1.82 3 3 0 -6.56144961115036 934050 CN1C2=CC=CC=C2N=C1NCC3=CC(=CC=C3)Br 1 3.761 3 0 -0.826160004390196 934049 CCCN1C(=NN=N1)NC(=O)C2=CC3=CC=CC=C3C=C2 1 2.247 5 1 -15.3223306860753 934047 CCOC(=O)C1=C(N(N=C1)CC2=CC=CC=C2Cl)N 1 2.309 3 2 -8.85132501735772 934044 COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C3=C(C=CC=C3F)F 1 3.466 2 3 -7.20042535942878 934027 CC1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CC=N3 1 3.058 5 0 -7.23146963289075 934026 CN1C2=CC=CC=C2N(C1=S)N=CC3=C(C(=CC=C3)OC)OC 1 4.873 3 2 -2.61394676375098 934001 C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC(=CC=C4)Cl 1 4.043 4 0 1.55750414242988 934000 CN1N=C(N=N1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC 1 2.762 6 2 0 -9.61426493621715 933989 CC1=C(C=CC(=C1)C(=O)O)N/C=C/2\CCCCC2=O 1 2.683 1 3 -8.7967726530513 933985 CCN1C2=C(C=C(C=C2)F)C3=NC4=CC=CC=C4N=C31 1 4.175 3 0 1.68674644409239 933895 CC(C)C1=NC(=C(O1)NN)C#N 1 0.825 4 1 0 -5.36294102666781 933881 CC1=C(C(=NO1)C2=CC=CC=C2)C3=NNC(=S)N3C4=CC=CC=C4 1 4.225 4 1 -3.97065323792091 933879 CN1C(=NN=C1SCC2=CC=CC=C2F)C3=CC=CC=N3 1 3.475 4 0 -7.82068995389356 933872 CCCC1=C(C(=C(C(=N1)N)C#N)C2=CN=CC=C2)CC 1 3.066 4 0 -3.86815015030259 933869 CC1=C(C(=O)N=C(N1)SCC(=O)N)CCC(C)C 1 1.888 3 2 0 -16.8756531912566 933855 C1=CC(=CC(=C1)F)CSC2=NN=C(N2N)C3=CC=NC=C3 1 2.348 5 0 -5.3893786165939 933825 CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC=NC=C3 1 2.72 5 0 -8.15041018245277 933665 CCOC(=O)C1=CN=C(NC1=O)N2C(=CC(=N2)C)C 1 0.731 4 3 0 -10.4250567444442 933649 CC1=CC=C(C=C1)CSC2=NN=C(O2)CCNC(=O)OC(C)(C)C 1 3.5 3 3 -21.2129233037065 933633 C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3Br 1 3.893 2 1 6.47311764755027 933584 C1=CC=C2C(=C1)C=CC=C2CSC3=NC(=O)C=C(N3)N 1 2.726 3 1 -8.8344757288111 933525 C1CCC(C1)(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O 1 3.699 1 3 -9.44562172258492 933563 CC1=C(C2=NSN=C2C=C1)NC(=O)C 1 1.564 3 1 0 -4.1450619964107 933382 COC1=C(C=C(C=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3O)OC 1 1.687 1 5 0 -11.270301050901 933372 CC1=C(N(C(=N1)C2=C(C=C(C=C2)Cl)Cl)O)C(=O)C 1 1.159 2 2 0 2.07218108817718 933308 CCN1C(=NN=C1SCC2=CC(=CC=C2)F)C3=CN=CC=C3 1 3.395 4 0 -6.12187735727263 933293 CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CCl 1 2.128 5 0 -0.385386925713002 933278 CC1=C(C(N=C(N1)C2=CC=CO2)(C(F)(F)F)C(F)(F)F)C#N 1 2.7 3 1 -3.39455027101327 933257 CCCC1=C(C2=C(C=C(C=C2)OCC(=O)C)OC1=O)C 1 3.27 0 4 -9.32933063500024 933254 CC(=C)CSC1=NN=C(N1N)C2=CC=CC=C2 1 2.773 4 0 -9.98546337495246 933233 C1=CC=C2C(=C1)C=CN3C2=NC(=C3)C(=O)NN=CC4=CC=C(O4)[N+](=O)[O-] 1 2.174 5 4 0 -5.86844673829871 933171 CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC(=C(C=C3)O)OC 1 2.056 1 4 -6.85749182264346 933155 CCN1C(=NN=C1SCC2=CC=CC=C2F)C3=CC=NC=C3 1 3.395 4 0 -7.63316657644315 933074 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)C 1 2.854 0 4 -8.4445727365411 933064 CN1C=NN=C1SCC(=O)NN=CC2=CC=C(C=C2)OCC(=O)N 1 2.5e-002 6 3 0 -22.9602221457907 933045 C1CN(C2=CC=CC=C21)C(=O)CC3=COC4=C3C5=CC=CC=C5C=C4 1 4.142 1 2 -8.78987545999611 933038 CC1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CN=CC=C3 1 2.629 5 0 -8.05621613587993 932966 CCOC(=O)C1=C(N=C(S1)NNC(=O)C2=CC=C(C=C2)C)C 1 2.261 3 3 -8.96251783456616 932902 CC1=CC(=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2OC)C 1 4.638 2 2 -13.0531316645088 932889 CC1=CC(=C(C=C1)NC(=O)CC2(CCCC2)CC(=O)O)C 1 3.223 1 3 -7.36488517427737 932888 C1=CC(=CC(=C1)F)CSC2=NN=C(N2N)C3=CN=CC=C3 1 2.348 5 0 -6.94923086803259 932879 COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CCCN4CCOCC4 1 1.413 4 3 0 -4.75544245025242 932874 COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CCSCC4 1 2.47 4 1 4.79108895971682 932803 CN1N=C(N=N1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2 1 2.465 6 2 0 -5.57537980876562 932740 C1COCCN1C(=S)NC(=O)C2=CC=C(C=C2)F 1 2.34 2 2 -12.8553728287416 932732 CCN(CC)C(=O)CSC1=NN=C(N1N)C2=CC=CO2 1 1.069 5 2 0 -15.8583242878371 932679 CCSC1=NN=C(O1)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C 1 3.571 3 3 -15.032370665508 932657 CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CCl 1 1.974 5 1 0 -0.931162926423895 932628 COC1=CC=CC=C1C2=NN3C(=NN=C3S2)C4=CC=CC=C4Cl 1 4.026 4 1 -3.70934905289248 932622 CC1=C(C=C(C=C1)C(=O)CN2C=NC3=CC=CC=C3C2=O)C 1 3.184 2 2 -6.26463417463848 932617 C1=CC=C2C=C(C=CC2=C1)NC3=NC(=NC(=N3)N)CCl 1 2.55 5 0 2.71171139394126 932611 CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CN=CC=C4 1 2.898 6 0 -7.67807566843346 932597 CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C3=NON=C3C 1 2.583 4 4 0 -8.29733623827709 932531 CC1=C(C=CO1)C(=O)NN=C(C)C2=CC=CC=C2 1 1.913 2 2 0 -6.82103555573984 932498 CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CO3)F 1 2.433 5 2 0 -9.63467789309126 932497 CC1=CC=CC=C1OCC(=O)NNC(=O)C2=C(OC=C2)C 1 1.442 2 4 0 -8.62621400099996 932466 CC(C)(C)OC(=O)NCCC1=NN=C(O1)SCC2=CC=CC=C2 1 3.014 3 3 -22.0277382084861 932464 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3)Cl 1 3.412 3 1 -1.26376307145369 932458 C1=CC2=C(C=C1Br)C(=O)C(=CO2)C=NNC(=S)N 1 1.958 3 2 0 -1.46428785680761 932398 COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CCCN4C=CN=C4 1 1.328 5 2 0 1.19399814186551 932339 CC1=CN2C=C(N=C2C=C1)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4 1 2.581 3 2 -11.0499500039246 932336 COC1=CC=C(C=C1)N(C=O)C(=S)SC 1 2.945 1 2 -0.685468815125396 932322 COC(=O)CSC1=NN=C(N1N)C2=CC=CC=N2 1 0.695 5 2 0 -13.4938254206354 932317 COC1=CC(=C(C=C1)C=NN2C(=NN=N2)N)OC 1 0.547 6 2 0 -3.70067317169132 932306 C1C(=NN2C(=NN=C2S1)C3=CC=CO3)C4=CC=C(C=C4)F 1 3.32 4 1 9.72874251499338e-002 932282 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=C2CCCCCCC2 1 4.836 2 2 -7.38364485938696 932255 C1=CC=C2C(=C1)C(=C(S2)C(=O)NN=CC3=CC=NC=C3)Cl 1 3.35 3 1 0.35318645286727 932214 C1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-] 1 5.001 3 3 8.24770448699556 932209 C1=CC(=CC=C1NC2=NC=NC3=C2C=NN3)Br 1 2.094 5 0 4.93334591844974 932203 CC1CCN(CC1)C2=NC(=NC(=C2)C)NCC3=CC=CC=C3 1 3.025 4 0 -2.85368963255807 932157 CCOC1=NC(=NC(=C1)C)NCC2=CC=CC=C2 1 2.646 3 1 -3.26735303766698 932150 C1=CC=C(C=C1)P(=S)(CC#N)C2=CC=CC=C2 1 4.03 1 0 -4.5315324612959 932064 CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NC3=CC=CC=C3 1 3.226 4 0 2.178760719596 932030 COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)N 1 0.827 4 2 0 -3.60427696114265 932019 CN1C2=CC=CC=C2N=C1NCC3=C(C=C(C=C3)OC)OC 1 2.98 3 2 -1.54030977368843 931965 CN1C(=NN=C1SCC2=CC=C(C=C2)F)C3=NC=CN=C3 1 2.324 5 0 -7.33937728097621 931945 CON1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)Cl 1 4.33 2 2 -10.1528491315062 931943 CC1=CC=C(C=C1)CSC2=NN=C(N2C)C3=NC=CN=C3 1 2.605 5 0 -8.05125430644146 931929 C1=CC=C(C(=C1)C=NN2C(=NN=N2)N)F 1 0.786 6 0 0 -2.92512833007209 931915 COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CC4=CC=CO4 1 2.29 3 3 -2.01434317073669 931904 COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CCl 1 1.625 5 1 0 -0.164939774715872 931898 C1=CC=C2C(=C1)N=C(N2N=CC3=CC=CS3)CO 1 2.738 3 1 3.52723583326471 931880 CC1=C(C=CC(=C1)O)N/C=C/2\CCCC2=O 1 2.355 1 2 -3.25733280578913 931855 C1=CC(=CC(=C1)Cl)CSC2=NN=C(N2N)C3=CC=NC=C3 1 2.807 5 0 -4.83453649309244 931813 C1C/C(=C\NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])/C(=O)C1 1 2.669 2 3 -6.76929147074598 931812 CCOC(=O)C1=CN=C(N=C1NC2CCCC2)N3C(=CC(=N3)C)C 1 2.708 5 2 0 -9.6843978188512 931808 C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3)F 1 1.401 6 1 0 -14.8739522414972 931776 COC1=CC=CC2=C1C(=C(N2)C(=O)NN)N 1 0.162 4 2 0 -2.35164586069117 931773 CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(=O)NN 1 1.951 3 1 0 -2.31838105928632 931771 C1=CC=C(C(=C1)NS(=O)(=O)C2=CN=C(C=C2)Cl)O 1 1.798 2 3 0 -1.01441448953413 931770 CN1C(=NN=C1SCC(=O)N)C2=NC=CN=C2 1 -0.611 6 1 0 -12.0447693410839 931757 CCN1C(=NN=C1SCC2=CC(=CC=C2)F)C3=CC=NC=C3 1 3.395 4 0 -4.56202510583394 931740 CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=NC=CN=C3)Br 1 3.04 5 0 -4.78947363887024 931738 C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CC=N3 1 2.572 5 0 -8.21469753468275 931723 CC1=CC=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C 1 3.455 4 0 -1.51805191972485 931722 CC1=CC(=C(C=C1)C)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC 1 4.25 4 1 -6.01522807264842 931718 CC1=NON=C1C(=O)NC2=C(NC3=C2C=CC(=C3)OC)C(=O)OC 1 1.554 4 5 0 -8.9322541814431 931715 C1CN(CCN1CC2=CC=CC=C2Cl)C3=C(C=C(C=C3)N)Cl 1 4.115 3 0 8.17047231484442 931665 CC1=C(C=C(C=C1)OCC(=O)NN=CC2=CC=CN2C)C 1 3.082 3 2 -8.35713095090458 931663 CN1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.724 3 3 1.50360652208493 931631 C1=CC=C(C(=C1)CSC2=NN=C(N2N)C3=CN=CC=C3)F 1 2.348 5 0 -10.0203723386418 931621 CC1=NN2C(=NN=C2SC1)C3=CC=C(C=C3)OC 1 2.029 4 1 -2.7751813404456 931608 CCC(=NOC1=NC(=CC(=N1)C)C)C 1 1.739 3 1 0 -3.12714759257979 931597 CC(C)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CN=CC=C2)OC 1 2.464 3 3 -16.4461098707176 931594 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N(C)CCO 1 0.991 1 5 0 -5.24344418091862 931585 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NN)C)Cl 1 1.139 4 2 0 -4.96594419059471 931566 CC1=CC=CC=C1N2C(=CC(=N2)C)NC3=NC4=CC=CC=C4N=C3Cl 1 4.739 5 0 -3.18023765698519 931564 CN(C)CC1=C(C(=CC=C1)[N+](=O)[O-])O 1 1.555 2 3 0 3.50345840840125 931563 CC1=CC=CC=C1C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 4.068 4 1 -4.58532934861258 931559 CC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)OCC(C)C 1 3.705 2 2 -13.8682403351018 931556 C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2O)O)O)[N+](=O)[O-] 1 2.437 1 6 0 1.86593112940598 931537 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 2.329 2 3 -11.4340750017842 931527 C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)O 1 -2.3e-002 2 4 0 -3.31187320099503 931525 C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=CO3)C=NNC(=O)N 1 1.128 3 3 0 -3.73982227041486 931521 CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)SCC3=CC(=CC=C3)F 1 4.078 3 0 -7.93704715605485 931519 CC(C)(C(=O)O)SC(=S)N1CCOCC1 1 2.169 1 3 -7.24921277794748 931509 CCOC1=NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3 1 4.936 2 1 8.82522740945855 931485 C1CN(CCN1)S(=O)(=O)C2=CC=CC3=NSN=C32 1 0.496 4 2 0 -13.5516002000273 931481 CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)OC 1 4.126 0 4 -1.99101331540601 931464 CC1=CC=C(O1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)Cl 1 3.952 4 1 -0.927626334821854 931463 COC1=CC=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)N=CN3 1 2.182 4 2 -7.28012800097862 931460 C1CN(CC2=C1NC3=CC=CC=C23)C(=O)NC4=CC=C(C=C4)Cl 1 3.773 3 1 -3.70479356155608 931453 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=C(C=C3)F 1 3.788 4 1 -3.95226639724678 931447 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=CC=C3F 1 3.788 4 1 -4.49526201154163 931431 CCN1C2=CC=CC=C2N=C1C3=CC=CS3 1 3.778 2 0 -0.363464650016227 931425 CC(=O)CC(C)(C)NC1=NC2=C(O1)C=C(C=C2)[N+](=O)[O-] 1 1.54 3 4 0 -7.86283356393023 931424 CN(C)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3CCCCC3 1 4.371 5 0 -6.14886327820288 931415 C1CCC(=NNC2=CC=CC=CC2=O)CC1 1 1.813 2 1 0 -6.46196251759556 931413 COC1=CC2=C(C=C1)NC=C2C(=O)CCl 1 2.379 1 2 0.37617398385311 931356 COC1=C(C(=O)C2=CC=CC=C2C1=O)NC3=CC=CC=C3 1 2.535 1 3 1.64909646631562 931341 CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC(=C2)OC)OC 1 1.837 6 3 0 -13.2207897676813 931328 C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CO3 1 2.922 3 3 -8.36023236140207 931313 COC1=C(C=C(C=C1)C2=C(C(=O)NC(=C2)C3=CC=CO3)C#N)OC 1 2.104 2 4 -5.21458852162627 931311 CC1=NC(=CC=C1)NCC2=C(C=C(C=C2)OC)O 1 2.634 2 2 5.86953642396058 931309 CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O 1 3.034 4 4 0 -5.39673506711413 931299 CCCC1=NC2=CC=CC=C2N1CC3=CC=CC=C3OC 1 4.502 2 1 -4.24508861785279 931282 CC(C)C1=C2COC(CC2=C3C4=C(C(=O)N(C=N4)N)SC3=N1)(C)C 1 2.333 4 2 -15.8171715625664 931276 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)Cl 1 4.873 4 0 -1.6655782090034 931273 CC(C)OC(=O)C1=C2N(C(=O)CS2)C(=C(C1)C#N)N 1 0.795 3 3 0 -14.2872526892127 931268 CC1=C2CCCCC2=C3C(=C(SC3=N1)C(=O)C)N 1 2.82 2 1 -6.03409780311013 931258 COC1=CC=CC(=C1)C=NN2C(=NNC2=S)C3CCCCC3 1 4.193 4 1 -3.44384770144031 931254 C1=CC=C(C(=C1)C=NNC(=O)CC2=CC(=O)NN2)Cl 1 0.499 4 2 0 -6.78776023349014 931246 CC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3CCCCC3 1 4.695 4 0 -3.48757689959022 931244 CCOC1=CC2=C(C=C1)N(C(=C2C(=O)C)C)CC3=CC=CO3 1 3.312 1 3 -3.24142211757502 931240 CC1(CC2=C(C(=O)C1)C3(CCC4(CC3)OCCO4)C(=C(O2)N)C#N)C 1 0.972 2 4 0 -16.0961961561547 931231 C1=CC=C(C=C1)CCC(=O)NC2=C(N=CC=C2)Cl 1 2.828 2 1 -8.06458309401813 931219 C1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=CC=C3F)N 1 3.433 3 1 -1.88962508315638 931216 CC1=CC=CC(=C1)C=NN2C(=NNC2=S)C3=CC=NC=C3 1 3.082 5 0 -0.986976675210705 931213 C1=CC=C(C=C1)/C=C/C(=O)NC2=C(N=CC=C2)Cl 1 2.805 2 1 -4.0811356589368 931208 C1=CC(=C(C=C1C=NNC(=O)C2=CC3=C(C=C2)N=CN3)Cl)Cl 1 3.527 4 1 -6.0522035108565 931206 CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC=C(C=C2)F 1 1.37 3 3 0 -5.92229788810727 931189 C1CC2=C(C1)C=C(C=C2)OCC3=CC=CC(=C3)C(=O)NN 1 2.964 2 2 -6.05284859286423 931188 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NN=C(C#N)C#N 1 1.839 5 2 0 -15.9523829833095 931186 C1=CC(=CC=C1NC(=O)NC2=NN=C(S2)C3=CC=NC=C3)Cl 1 2.435 5 1 -3.72275433755189 931178 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)[N+](=O)[O-] 1 4.103 5 2 0 -6.24011861977394 931134 CN1CN(CSC1=S)CCOC2=CC=CC=C2OC 1 3.742 2 2 -4.79842459625818 931131 CCOC(=O)C1=C(NC2=C1C=C(C=C2)O)C3=CC=CC=C3 1 3.895 1 3 0.250933884207391 931076 CC(C)(C=NO)N(C=C1C=CC(=O)C=C1)O 1 0.552 2 3 0 0.413585187605312 931177 CN1C2=CC=CC=C2N=C1C3=CC=CS3 1 3.429 2 0 1.31380807380856 931148 COC(=O)/C=C\1/C(=O)N=C(S1)NN=CC2=CC=CC=C2 1 2.185 3 3 -5.66802944418384 930979 CCN1C2=CC=CC=C2N=C1CNC3=NC4=CC=CC=C4N3C(C)C 1 4.002 5 0 -4.28202847510698 931124 CCC1=C(C(=C2NC3=CC=CC=C3N2C1=S)C#N)C 1 4.402 3 0 -5.29487028172251 931093 CC1=CC=[N+](C=C1)C2=C(SC(=N2)[O-])C=NNC(=O)C3=CC=NC=C3 1 2.082 5 2 0 -11.9539987701102 930984 C1=CC=C(C=C1)C2=CC(=CC=C2)N3C(=O)C=CC3=O 1 2.906 1 2 6.41086378203942 930987 C1=CC2=C3C(=C1)C(=NC3=CC=C2)NC4=CC=CC(=C4)C(=O)O 1 3.16 2 2 2.4022789257431 930989 CC1=CC(=NC(=N1)NC(=O)/C=C/C2=CC=C(C=C2)Cl)C 1 3.054 3 1 -4.21538542782455 930990 CC1=CC(=CC=C1)NC(=O)NCCC2=CNC3=CC=CC=C32 1 3.63 3 1 -7.30227986646326 931001 COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCC5=CC=CC=C5C4 1 3.696 4 1 4.16648718744991 931004 CC1=CC(=O)NC(=C1C#N)SCC(=O)NC2=CC=C(C=C2)F 1 2.026 3 2 -15.8212935228955 931052 CC1=CC=C(O1)C(=NN2C(=NC3=CC=CC=C3C2=O)C)C 1 2.201 3 2 -3.53923918529606 931037 CCC1=CC=C(C=C1)N2CN=C3N(C2)C(=O)C(=CC4=CC=CC=C4)S3 1 4.945 3 1 -13.8025114430672 931019 CC1=CC=CC2=C1N(C(=CC2=O)C)CC(=O)NC 1 1.626 2 2 0 -7.28928457685849 931018 CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 1.211 4 5 0 -16.4801446837641 930948 COC1=CC(=C(C=C1)CNN2C=NN=C2)O 1 0.232 4 2 0 3.25508297275126 930945 CC1=CC=C(C=C1)C(=O)NC2=C3C4=C(CCCCC4)SC3=NC=N2 1 4.761 3 1 -10.0026552357824 930937 CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C)C(=O)C3=CC=CS3 1 2.649 2 2 -9.54449635639896 930921 CCCN1C2=CC=CC=C2N=C1NCC3=CNC4=CC=CC=C43 1 4.178 4 0 -4.01608601573486 930898 C1CCCC2=C(CC1)C=C3C(=C(SC3=N2)C(=O)N)N 1 2.719 3 1 -11.9701487198521 930897 CCSC1=NN=C(O1)C2=CC=NC=C2 1 1.41 3 1 0 -4.57487323440766 930868 C1=CC2=C3C(=C1)C(=NC3=CC=C2)NC4=CC=C(C=C4)C(=O)O 1 3.16 2 2 2.37369951305135 930864 CC1=C(OC2=NC(=NC(=C12)N)SCC(=O)N3CCCCC3)C 1 2.223 4 2 -8.59556423032541 930850 CCN(C1=CC2=C(C=C1)OCO2)C(=O)C3=C(OC(=O)C=C3C)C 1 2.351 1 5 -11.6095410198671 930814 COC1=CC=C(C=C1)C(=O)NC2=NN(C(=N2)N)C3=CC=CC=C3 1 2.456 5 2 0 -2.24702704143288 930809 CC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2N 1 3.657 3 1 -11.6044789922069 930787 CC(C)CNC1=NC=NC2=C1C=NN2CC3=CC=C(C=C3)Cl 1 3.415 5 0 -0.975959934768151 930682 CC1=CC(=O)N2C(=N1)N=C(N2)CCC(=O)O 1 -0.993 4 3 0 -9.6380652779923 930697 CC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2N 1 2.813 3 2 -17.3530815035516 930702 CC1=CC=C(C=C1)C(=O)N2C(=C(C(=N2)C#N)C#N)N 1 1.978 5 1 0 -7.05587523534655 930740 CCCC(=O)NC1=NC2=NC(=CC(=O)N2N1)C 1 0.711 5 2 0 -12.9026066080144 930735 C1=CC=C(C=C1)C2=CC(=O)N3C4=CC=CC=C4N=C3N2 1 2.796 3 1 -4.59701493999498 930714 C1=CC=C(C=C1)N2C(=NC(=N2)NS(=O)(=O)C3=CC=C(C=C3)Cl)N 1 2.84 5 2 0 0.940987142770089 930713 C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=C(N3)NC(=O)C4=CC=CC=C4 1 1.841 5 2 0 -5.97807496145081 930668 C1=CC=C(C=C1)CCNC(=O)C2=COC(=O)C(=C2)Br 1 1.849 1 3 0 -6.61130579085864 930664 C1CCN(C1)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3 1 2.984 2 2 -5.07852790533172 930617 C1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 4.385 3 1 8.54445912049515 930618 CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)NN 1 1.347 6 0 0 1.38333215221472 930620 C1CC(=O)N(C1=O)C2=C(C=CC(=C2)Cl)OC(=O)C3=CC=CO3 1 2.481 1 5 -7.98850973384147 930596 C1=CC=C2C(=C1)C3=NN=CN3C(=N2)C4=CC=CC=C4Cl 1 3.618 4 0 3.43895396772397 930594 CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)CC#N 1 1.939 7 0 0 0.916336480794306 930590 C1=CC=C2C(=C1)C=C(O2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl 1 3.131 2 3 1.13075108628984 930586 CCN(CC)C1=NC=NC2=C1C=NN2CC3=CC=C(C=C3)C 1 2.948 5 0 -2.69443944395596 930578 CC1=CC=C(C=C1)C2=C3CCCCC3=C4C(=C(SC4=N2)C(=O)C)N 1 4.971 2 1 -1.5265532439663 930575 C1CCC(=CC1)CCNC(=O)C2=COC(=O)C(=C2)Br 1 2.271 1 3 -9.3593771068309 930574 CC1=CC2=C(C=C1C)SC3=NC(=O)N(C(=O)N23)C4=CC=CC=C4 1 5.09 3 2 -5.89105408799078 930568 C1=CC=C(C=C1)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)F 1 5.044 3 0 0.957486598071995 930554 C1=CC(=CC(=C1)Br)C(=O)NC2=CC=CC3=C2C=CC=N3 1 3.549 2 1 -5.78979069659872 930549 CCCC1=NC2=C(C(=O)O1)SC3=NC4=C(COC(C4)(C)C)C=C23 1 3.404 2 3 -14.9855087138592 930537 CC1=C(C=CC(=C1)C(=O)NC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-] 1 3.181 3 3 -10.8107413384647 930524 CC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCC2 1 1.157 2 2 0 -7.95604266693761 930518 CC1=CC(=C(C(=O)N1)C#N)C2=C(C=C(C=C2)Cl)Cl 1 2.836 2 1 -4.58814765809442 930503 CCCC(=O)NC1=NC2=NC(=CC(=O)N2N1)C3=CC=CC=C3 1 1.946 5 2 0 -9.8905630543945 930491 COC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)F 1 3.331 1 2 -1.15632787851989 930489 C1CCN(CC1)C2=NC3=CC=CC=C3C=C2C=C(C#N)C#N 1 3.2 4 0 2.24669111672822 930482 CC(=O)NC1=C(N=C2N1C=CC=C2)C3=CC4=CC=CC=C4C=C3 1 3.085 3 1 0.297471304058743 930473 CC1=CC=C(C=C1)C2=CC(=NC3=NC=NN23)C 1 2.956 4 0 -4.73794283394853 930454 CC1=CC(=O)OC(=C1C(=O)NC2=CC3=C(C=C2)N=CC=C3)C 1 2.214 2 3 -6.58949939526612 930436 CC1=CC(=C(C=C1)O)CNC2=NC3=CC=CC=C3N2C(C)C 1 3.983 3 1 2.45399489075022 930432 CCC(=O)NC1=NN(C(=N1)N)C2=CC=CC=C2 1 1.475 5 1 0 -1.36192499410221 930424 CCC(=O)NC1=NC2=NC(=CC(=O)N2N1)C 1 0.255 5 2 0 -7.48031247336689 930423 CC(C)C1=C2CCCC2=C3C4=C(C(=NC=N4)Cl)SC3=N1 1 4.932 3 0 -2.2904259405771 930421 CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)OC 1 3.605 5 1 2.34671561542375 930420 C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.309 4 0 8.92698819189901 930416 CC1=CC=C(C=C1)C2=C3CCCCC3=C4C(=C(SC4=N2)C(=O)N)N 1 4.233 3 1 -1.6826679455654 930415 COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)NC3=CC=CC=C3 1 3.45 3 2 1.56709991994066 930395 C1=COC(=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)N)N 1 1.629 3 2 0 -1.98195705698611 930382 C1=CC(=CN=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.119 1 3 -9.82605243350285 930341 C1CC2=C(C1)SC3=NC=NC(=C23)N[C@@H](CO)C(=O)O 1 1.464 3 3 0 -12.1555838487032 930335 CC1=CC(=CC=C1)OC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 4.443 3 1 12.4529131771661 930332 CC1=[N+](C2=CC=CC=C2N(C1=O)OCC3=CC(=C(C=C3)OC)OC)[O-] 1 1.507 2 5 0 -10.4163945555038 930322 CC1CCN(CC1)C(=S)C2=CC(=CC=C2)O 1 3.594 1 1 -5.01072989927316 930312 CC1=C(C=C(C=C1)NCCC(=O)C2=CC=C(C=C2)OC)Cl 1 4.276 1 2 -0.597362675357034 930299 CC(=NNC(=O)C1=NNC(=C1)C2CC2)C3=CC=CS3 1 2.393 4 1 -10.410337477705 930294 CC(C)C1=C2CCCC2=C(C(=N1)Cl)C#N 1 3.9 2 0 -2.14680281922256 930291 CC(C)C1=C2CCCC2=C3C4=C(C(=O)N=CN4)SC3=N1 1 3.421 3 1 -5.88897180063196 930290 C1=CSC(=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)Cl 1 4.176 2 1 -0.153717453142025 930280 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 3.359 3 3 -6.86650838271673 930274 C1=CC=C(C=C1)CN2C(=NC3=NC4=CC=CC=C4N=C32)C5=CC=CC=C5 1 4.918 4 0 -3.71921027496538 930271 C1CC(=O)N(C1=O)C2=NC3=NC(=CC(=O)N3N2)C4=CC=CC=C4 1 0.863 5 3 0 -7.49693152898869 930267 CC(=O)C1=C(C2=C(S1)N=C(C=C2)C3=CC=CO3)N 1 2.367 2 2 -1.82584235538701 930247 CN1C2=C3C(=C(C=C2)Br)C=CC=C3N(C1=O)C 1 2.761 2 1 -1.2905559600723 930238 CC(C)C1=C2CCCC2=C3C4=C(C(=S)N=CN4)SC3=N1 1 4.32 3 0 -5.23975052021049 930233 CCC(=O)NC1=C(N=C2N1C=CC=C2)C3=CC4=CC=CC=C4C=C3 1 3.752 3 1 0.325325305829714 930230 CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C 1 2.208 6 0 3.59318208068988 930222 C1=CC(=CC(=C1)F)NC(=O)C2=COC(=O)C(=C2)Br 1 1.726 1 3 0 -1.87804275866482 930187 CC1=CC=C(C=C1)C(=O)NC2=NN(C(=N2)N)C3=CC=CC=C3 1 2.959 5 1 -1.83406083228874 930185 C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C3=CC=CC=C3Cl)N 1 3.137 5 1 -2.24754791897198 930180 C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CN=CC=C4)N 1 2.866 4 1 -5.48514741458608 930177 CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CN=CC=C2 1 1.735 4 2 0 -12.476689327834 930176 C1=CC2=C(C(=O)N=C2C=C1)NN=CC3=CC(=CC=C3)O 1 1.685 3 2 0 -1.78322498040328 930157 C1CN(CCN1C2=CC=C(C=C2)Cl)C3=NN=C(S3)C(F)(F)F 1 3.488 4 0 5.96328839719961 930151 COC1=CC=CC(=C1)OC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.94 3 2 10.3584984517071 930144 CC1=CC(=CC=C1)N2C=NC3=C(C2=O)C(=C(S3)C)C 1 3.437 2 1 -5.99045421819587 930136 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=N3)OC4=CC=C(C=C4)F 1 4.59 3 1 9.91298315494161 930135 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)OC4=CC=CC=C4F 1 4.162 3 1 10.2810510167224 930129 COC1=NC(=NC2=CC=CC=C21)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.425 3 3 4.68214664887593 930126 CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCC4=CC=CC=N4 1 4.639 5 0 -10.0694120772475 930121 CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC 1 4.65 5 0 -7.56132249003239 930113 CC1=CC=CC=C1N2C(=O)C(=C(C(=N2)C(=O)O)C)C#N 1 2.103 3 3 -4.04026131177296 930112 CC1=CC(=CC=C1)OC2=NC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 4.871 3 1 10.5017940836085 930095 CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)Cl 1 2.609 4 2 -8.30263710638328 930091 CC1=C2CCCCC2=C3C(=C(SC3=N1)C(=O)C4=CC=CC=C4)N 1 4.485 2 1 -6.214248184271 930079 CC1=CC=CC=C1NC(=O)COC2=CC3=C(C=C2)OC(=O)C=C3C 1 3.452 1 4 -10.7934193986723 930056 C=CCN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)NC(=O)N3 1 1.853 3 2 0 -10.4576287958514 930040 C1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)Cl 1 3.806 5 0 -0.269115678831429 930004 CCOC(=O)C1=C(C2=C3CCCC3=C(N=C2S1)C(C)C)N 1 3.958 2 2 -8.09003628715571 930001 COC1=CC=CC=C1NC(=O)C2=COC(=O)C(=C2)Br 1 1.504 1 4 0 -7.11045337707311 929998 CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=N2)SCC(=O)N)C#N 1 4.439 3 1 -9.69595493946283 929991 CCC(=O)NC1=NN2C(=CC(=NC2=N1)C3=CC=CC=C3)C4=CC=CC=C4 1 4.442 5 1 -4.10117392518231 929988 C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=C(N3)NC(=O)C4=CC=CO4 1 1.236 5 3 0 -4.08093776023121 929974 CC1=NN(C(=O)C1)C(C)C 1 0.272 2 1 0 -3.85019443982514 929935 CC(C)C1=C2CCCCC2=C3C4=C(C(=O)NC(=S)N4)SC3=N1 1 5.063 3 1 -8.49561249336671 929967 CC(C)CN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2CC(C)C 1 4.055 5 1 -10.4730514538915 929965 CC1=CC=C(C=C1)C(=O)NC2=NC3=NC(=CC(=O)N3N2)C4=CC=CC=C4 1 2.973 5 2 0 -4.88939593189322 929959 CN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)OC)C(=O)N(C1=O)C 1 1.538 5 3 0 -9.06493165423376 929952 C1CCN(C1)C2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)Cl 1 2.89 5 0 2.79024388943112 929947 CC(C)C1=C2CCCC2=C3C4=C(C(=O)NC(=S)N4)SC3=N1 1 4.606 3 1 -8.18680237248203 929925 CC1=CC=CC=C1OC2=NC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 4.871 3 1 7.43238418858688 929923 CC(C)N1C2=CC=CC=C2N=C1NCC3=C(C=CC(=C3)Cl)O 1 4.161 3 1 4.35796621133712 929919 C1CC(=O)N(C1=O)C2=CC=C(C=C2)OC(=O)C3=CC=CO3 1 1.817 1 5 0 -11.3279353988332 929916 CC1(CC2=C(CO1)C(=S)N=C(N2CCO)C3=CC=CC=C3)C 1 1.875 2 2 0 -7.67974541221163 929915 COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3F 1 3.325 0 3 -0.146105022046374 929912 C1CCN(CC1)C2=NC(=O)N=C(N2)NC3=CC=CC=C3 1 2.56 5 1 -4.96215513348152 929911 COC1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C4=CC=CC=N4 1 4.369 3 2 8.64286334913266 929887 C1COCCN1C2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)Cl 1 2.117 5 1 0.846689252550272 929876 COC1=CC=CC(=C1)C2=CSC(=N2)NC(=O)NC3=CC=CC=C3 1 3.45 3 2 3.74940001182487 929874 COC1=CC(=C(C=C1)CNC2=NC3=CC=CC=C3N2CC=C)O 1 3.371 3 2 -0.895706944609776 929866 C1CCC(CC1)N2CNC(=S)N(C2)CCC3=CC=CC=C3 1 4.878 3 0 -5.01633783402414 929865 CC1=CC(=CC=C1)NC(=O)CC2(CCCC2)CC(=O)O 1 2.736 1 3 -2.71489852396917 929856 CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)CN2CCOCC2 1 3.238 3 2 -10.4397268949224 929853 CC1=CC(=C(C=C1)N2CN(CNC2=S)CC3=CN=CC=C3)C 1 4.193 4 0 -2.67561479082312 929835 CC(=NN1CCN(CC1)CC2=CC=CC=C2Cl)C3=CC=C(C=C3)F 1 3.955 3 0 3.92014715337865 929832 CCC1=CC=C(C=C1)N2CN(CNC2=S)CC3=CN=CC=C3 1 4.163 4 0 -5.17711767424532 929823 C=CCN1C2=CC=CC=C2N=C1NCC3=CNC4=CC=CC=C43 1 3.923 4 0 -5.82906540806037 929819 CC(C)CC1=C2CCCC2=C(C(=N1)Cl)C#N 1 4.146 2 0 -1.38663396641361 929817 CC1=CC(=C(C=C1)O)CNC2=CC=CC3=C2N=CC=C3 1 3.652 2 1 4.73306951516475 929816 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CN=CC=C2 1 2.402 4 2 -12.344398254047 929815 CCOC1=CC=C(C=C1)C=NNC(=O)CN2C=CN=C2C 1 1.221 4 2 0 -8.758311328791 929799 CC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC=C(S3)C 1 4.332 4 0 1.45419717873082 929788 C=CCC1=C(C(=CC=C1)CNN2C=NN=C2)O 1 1.257 4 1 0 -2.37592548625113 929747 CCC1=CC=CC=C1N2CN(CNC2=S)CC3=CN=CC=C3 1 4.163 4 0 -5.21341653787109 929722 CC1=NC=CN1CC(=O)NN=CC2=CC(=CC=C2)OC 1 0.872 4 2 0 -7.53539276978892 929721 COC1=CC=C(C=C1)C=NNC(=O)CC2=CC=CS2 1 2.655 2 2 -7.81682821562954 929670 CCCC1=CC=C(C=C1)OC2=NC(=NC(=C2)C)N3CCOCC3 1 3.582 3 2 0.820390028840893 929663 C1NC(=S)NCN1CC2=CC=CO2 1 1.344 3 1 0 -4.31491864611388 929661 C1=CC=C2C(=C1)C=C(C=N2)NCC3=C(C=CC(=C3)Br)O 1 3.914 2 1 7.44678798432085 929654 C1CCC(C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4F 1 4.491 3 0 1.58852445665303 929650 C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CC=CC=C4Cl)NN 1 4.594 4 0 0.437143446067916 929649 CC(C)CC1=C2CCCC2=C3C4=C(C(=O)NC(=S)N4)SC3=N1 1 4.852 3 1 -7.37977126926849 929646 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)Cl 1 4.358 2 1 -2.52443997353312 929633 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=CC=CS3 1 3.291 4 1 -5.6838411524881 929625 C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=C(C=C(C=C3)F)F 1 3.559 3 1 -0.764870200392603 929624 CC1=CC=C(C=C1)N2CN(CNC2=S)CCC3=CCCCC3 1 5.601 3 0 -6.88166208575091 929617 CC(C)CC(=O)NC(=S)NC1=CC=CC=C1N2CCCC2 1 4.1 3 1 -9.49138637947651 929592 CN1C(=O)C2=CC3=CC=CC=C3N(C2=NC1=O)CC4=CC=CC=C4 1 2.866 3 2 4.65915841615465 929566 CC1=CC=C(O1)C=NN2C(=NNC2=S)C3=CC(=CC=C3)Cl 1 3.952 4 1 0.542803241542431 929554 CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)F 1 3.648 4 1 -8.34673368174212 929552 CC1=CC=CC(=C1)C(=O)NC(=S)N2CCC3=CC=CC=C3C2 1 4.592 2 1 -13.1779344941825 929542 C1=CC=C2C(=C1)C(=C(S2)C=NC3=CC=CC=C3O)Cl 1 5.002 1 1 15.0139826409032 929539 CN(C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=C(C=C3)F)O 1 3.574 1 3 7.67422996214676 929530 CC(C)OC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2C(=O)O 1 2.211 2 5 0 -9.51255141584828 929522 CC1=NC2=C(S1)C3=C(C=C2)C4=C(C=C3)SC(=N4)C 1 3.427 2 0 2.6065112984225 929514 CN1C=CC=C1C=NNC(=O)CC2=CC=CC=C2 1 2.309 3 1 -8.7321727988579 929513 CN1C=NC2=C1C=CC(=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC 1 2.286 3 4 0 -8.29135723508595 929510 CC1(C(OC(=CC=NC2=CC=C(C=C2)Cl)O1)(C)C)C 1 4.039 1 2 9.11551172521837 929506 CC1=NC2=C(C=CC=C2SCC(=O)NC3=CC=C(C=C3)F)C=C1 1 3.682 2 1 -6.9706016616263 929504 CC1=CC(=NC(=N1)NC(=S)N(C)C(=O)C2=CC=CC=C2)OC 1 3.047 4 2 -12.1849279372257 929494 C1CC2=C(C1)C=C(C=C2)OCC3=CC=CC(=C3)C(=O)O 1 4.083 0 3 -3.90717335948791 929489 CC(C)(C)NC1=NC2=C(O1)C=C(C=C2)[N+](=O)[O-] 1 2.059 3 3 -5.17224691248462 929487 CC1=CC=CC=C1OCC(=O)NC2=NN=C(S2)C3CCCCC3 1 3.797 3 2 -8.05507236083155 929485 COC1=CC=CC=C1OCC(=O)NC2=NN=C(S2)C3CCCC3 1 2.838 3 3 -11.6610663995243 929474 CC1=CC=C(C=C1)NC(=O)CC2=NN=C(S2)N 1 1.269 4 1 0 -5.96282014344261 929473 COC1=CC=CC=C1P(=O)(CC2=CC=CC=C2)C3=CC=CC=C3 1 4.968 0 2 -5.09026363624154 929472 CNC(=S)NN=CC1=CC=C(O1)C2=CC(=CC=C2)C(=O)O 1 3.066 3 3 -4.98581180900254 929471 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)NC3=CC=CC(=C3)N 1 3.171 2 1 -1.69939966332728 929470 CC1=CC(=CC=C1)N(C(=O)C2=CC=CC=C2)NC(=O)C(C)(C)O 1 2.599 2 3 -11.8014057259189 929469 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)C2=NC=CN=C2 1 0.963 3 5 0 -15.3466394936135 929467 CCN(CC)C1=CC=C(O1)/C=C(/C#N)\C(=O)NCC2=CC=CC=C2 1 3.307 3 2 -17.8702528904547 929445 CN1CCN(CC1)C2=NC(=CC(=N2)C3=CC=CC=C3)C#N 1 2.326 5 0 4.71487693677858 929434 CC1=CC=CC=C1N2C(=O)C3=CC4=C(CCCC4)N=C3N=C2SC 1 4.561 3 1 -11.9504767357528 929419 C1CCC(CC1)NC(=O)/C(=C\C2=CC=C(O2)N3CCOCC3)/C#N 1 2.572 3 3 -13.5856431021478 929418 C1CCC(CC1)NC(=O)/C(=C/C2=CC=C(O2)N3CCOCC3)/C#N 1 2.572 3 3 -13.5856431021478 929404 COC(=O)NN=CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3Cl 1 4.409 3 2 -5.13417381375853 929398 CC(C)CN1C(=NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC 1 3.874 2 2 -5.32725464149465 929393 COC1=CC=C(C=C1)N(C2=NCCC2)C(=O)NC3=CC=C(C=C3)Cl 1 3.676 3 2 -2.44040042766906 929385 C1=CC(=C(C=C1Cl)Cl)CSCC(=O)NC2=NC=CS2 1 3.341 2 1 -8.94288804224584 929383 COC(=O)NN=CC1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)F 1 3.95 3 2 -5.04524817951829 929366 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NC4=CC(=CC=C4)Cl 1 3.973 4 0 12.296271608998 929362 C1=CC=C(C(=C1)NC(=O)CSCC2=CC=C(C=C2)Cl)O 1 3.437 1 2 -3.94296531220069 929361 CC1=CC=CC=C1OCC(=O)NC2=NN=C(S2)C3=CC=NC=C3 1 2.184 4 2 -7.54118821127149 929341 C1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)OC3=CC=C(C=C3)Cl 1 5.051 3 1 1.82740770636188 929321 C1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)NN 1 1.465 5 0 0 1.88066935796386 929314 CC1=CC=CC=C1NC(=O)CC2=NN=C(S2)N 1 1.269 4 1 0 -8.5275129194349 929312 C1=CC=C2C(=C1)C=C(O2)C(=O)NN=CC3=CSC=C3 1 2.94 2 2 -1.94304369203629 929303 COC(=O)NN=CC1=CC=C(O1)C2=C(C=C(C=C2)Cl)Cl 1 4.196 2 3 1.15939611362187 929302 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NC4=CC=CC=C4Cl 1 3.973 4 0 9.40212042337565 929297 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=NC=CS4 1 3.256 3 2 -3.44958665490814 929262 C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC(=O)O3)C)(C)C 1 3.495 0 2 2.96565741111445 929248 CC1=CC=C(C=C1)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 3.625 0 4 -7.54340511245903 929181 COC1=C2C=CC=C3C2=C(C=C1)C(=O)O3 1 2.324 0 3 -4.96127460951212e-002 929164 CN1C2=NC(=NC=C2C(=O)N(C1=O)C)N3CCOCC3 1 -0.513 5 3 0 -7.07214755232484 929026 CC1=C(OC=CC1=O)O 1 0.688 0 3 0 0.544872046949049 929015 CC1=CC2=C(O1)C3=C(C(=CC=C3)OC)N=C2C 1 2.731 1 2 -1.23793402149118 928999 CC12CN3CC(C1=O)(CN(C2)C3C4=CC(=C(C=C4)OC)OC)C 1 2.267 2 3 -10.2421758728428 928929 CN(C)C1=NC2=C(N1[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O)N=CN=C2N 1 -1.797 6 4 0 -11.8412985058866 928734 C1C2=CC=CC=C2C3=NC(=O)C4=CC=CC=C4N31 1 2.453 2 1 0.652386768726718 928629 COC(=O)C1=CC=C(O1)CC(=O)C2=C(C=C(C=C2)O)O 1 2.327 0 6 3.39543920514862 928601 C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)CCC4=CC=CC=C4 1 1.613 2 2 0 -9.8103832622034 928465 CC1([C@H](O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C 1 2.485 0 5 -4.13849432162262 928447 C1CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C1 1 1.185 3 3 0 -7.77711503049907 928413 C1=CC=C(C=C1)C2=CC3=C(C(=CC=C3)C(=O)O)C(=O)O2 1 2.752 0 4 -1.41956514075522 928398 CC1=CN=C2C3=CC=CC=C3C(=O)C2=C1 1 2.686 1 1 2.32940421261391 928297 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C(=O)O2 1 3.175 1 2 -5.15275652951742 928277 C1CC2=NC3=C(CN2C1)C=C(C=C3)Br 1 2.174 2 0 -1.8076437197753 928248 CC(=O)OC1=C(C2=CC=CC=C2C(=O)C1=O)O 1 0.682 0 5 0 -0.882353742000104 928228 CC(=O)OC1=CC2=C(C=C1)C=CC(=O)O2 1 1.667 0 4 0 -6.28554479892624 928095 C1CCN2[C@@H](C1)[C@@]34C[C@@H]2C=CC3=CC(=O)O4 1 1.449 1 2 0 -2.85808740290859 928003 C1=CC2=C(C=C(C=C2)CC(=O)C3=C(C=C(C=C3)O)O)N=C1 1 2.971 1 3 6.680945432975 927945 CN1C2=C(C=CC=C2OC)C(=O)C3=C1OC=C3 1 2.372 1 3 -2.2276504342097 927704 CC1=CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C 1 2.923 0 3 -3.86357301491164 927670 COC1=CC=C(C=C1)CC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.141 2 3 0 -10.3870319313213 927567 C1CN(C2=C1C=C(C=C2)C=O)CC3=CC=CC=C3 1 3.409 1 1 -9.76875336241106 927479 C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)CCC4=CC=C(C=C4)O 1 1.371 2 3 0 -7.11569424628466 927400 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)N)C)C 1 1.516 2 4 0 -7.37228454852027 927365 CC(C)(C)C1=NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)O1 1 4.294 1 4 -2.17039987073505 927359 C1=CC(=C(C=C1Cl)Cl)CNN2C=NNC2=S 1 2.779 4 0 -2.91630265208229 927328 C1C(=NN2C=NN=C2S1)C3=CC=C(C=C3)Br 1 2.543 4 0 -2.70759615734864 927295 CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C 1 3.962 2 2 -5.78681334784934 927111 C1CCC(CC1)C(=O)NC2=NON=C2NC(=O)C3CCCCC3 1 3.206 4 3 0 -3.0888481052108 927108 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2 1 2.433 2 3 -8.72796534742986 927032 COC1=CC=CC=C1/C=C/C(=O)NC(=S)NC2=CC=CC=N2 1 3.606 3 2 -5.35212318050234 926891 CC1=CC(=CC(=C1)OCC(=O)NNC(=O)C2=C(OC=C2)C)C 1 1.928 2 4 0 -8.95104460964756 926746 CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NC3=CC=CC=C3F)N 1 2.361 3 2 -7.50608420367796 926704 CCOC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SC 1 2.877 2 2 -10.817830886146 926667 COC1=C(C=C(C=C1)C2=NOC(=N2)CC3=CC=C(C=C3)Cl)OC 1 3.811 2 3 1.66008134001782 926663 C1=CC=C2C=C(C=CC2=C1)C3=NC(=NO3)C4=CC=CC=N4 1 3.331 3 1 9.89837590289889 926662 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)Cl 1 4.007 2 2 -0.565031391750676 926643 CC1=CC=C(C=C1)C2=NOC(=N2)CCCN3C(=O)C4=CC=CC=C4C3=O 1 3.084 3 3 1.61579901432579 926616 CC1=NN=C(S1)SCC(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 1.664 4 2 0 -17.5103130764714 926608 COC(=O)C1=CC=C(C=C1)OC(=O)C2=C(N=CC=C2)SC 1 3.047 1 4 -11.8260684286609 926520 CC1=NN=C(S1)SCC(=O)NC2=CC(=CC=C2)Br 1 2.491 3 1 -15.0529567093722 926201 CC1=NC(=C(C(=C1)COC)C#N)N2CCNCC2 1 0.767 4 1 0 -7.75969984105478 926200 C1CN(C2=CC=CC=C21)C3=NC(=NC=C3F)N4CCC5=CC=CC=C54 1 3.703 4 0 -1.22103165004356 926198 CC1=CC=CC=C1C(=O)NC2=CC=CC=C2SC 1 3.642 1 1 -12.390526955872 925975 CC1=C(C=C(C=C1)C(=O)N2CCCCCC2)Br 1 3.852 1 1 -3.29460919057199 925806 CC(C)OC(=O)C1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC=CO2 1 2.305 1 6 0 -16.1205703386138 925735 COC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3F 1 3.334 2 2 6.70364682624361 925699 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3 1 3.642 3 1 2.13851270507412 925696 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C 1 3.22 3 1 -0.564525022997718 925682 CC1=CC=CC(=C1OC)C(=O)NC2=CC=C(C=C2)CN3CCCCC3 1 4.075 2 2 -3.13740008513905 925673 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CN3CCCCC3 1 3.589 2 2 -3.94740129337081 925659 CCN1C(=NN=N1)NC(=O)C2=CC(=CC=C2)OC 1 0.799 5 2 0 -18.887227775786 925625 CCN1C(=NN=N1)NC(=O)C2=CC(=C(C(=C2)Cl)OC)Cl 1 2.127 5 2 0 -17.6871371305448 925621 CCN1C(=NN=N1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 0.766 5 4 0 -21.8946384659427 925601 CCN1C(=NN=N1)NC(=O)C2=CC3=CC=CC=C3C=C2 1 1.723 5 1 0 -15.223391888309 925512 CC1=CC(=C(C=C1)C)C(=O)NCC2=CC=NC=C2 1 2.443 2 1 -7.55064356838776 925484 CC1=CC(=C(C=C1)C)C(=O)N2C=NN=C2N 1 1.615 4 1 0 -2.92035092187484 925467 CC1=CC(=C(C=C1)C)C(=O)NC2=CC=CC=C2NC(=O)C 1 2.707 2 2 -8.04535958471864 925460 CC1=CC(=C(C=C1)C)C(=O)NC2=CC=NC=C2 1 2.436 2 1 -4.03407336879673 925441 CC1=CC(=C(C=C1)C)C(=O)NC2CC(NC(C2)(C)C)(C)C 1 2.75 2 1 -11.4668847899042 925438 CC1=CC(=C(C=C1)C)C(=O)NCCN(C)C 1 2.149 2 1 -4.76006321573684 925389 CC1=CC(=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C)C 1 2.707 2 2 -6.98558021458002 925388 CC1=CC(=C(C=C1)C(=O)NC2=CC=NC=C2)C 1 2.436 2 1 -2.97429399865812 925366 CC1=CC(=C(C=C1)C2=NC(=NO2)C3=CN=CC=C3)C 1 2.967 3 1 5.80065902795917 925365 CC1=CC(=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3)C 1 2.967 3 1 8.34336295229796 925295 CC1=CC(=C(C=C1)C(=O)NCCN(C)C)C 1 2.149 2 1 -3.70028384559823 925279 CC1=CC(=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC)C 1 4.605 1 3 0.750020171352886 925269 CC1=CC(=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C 1 3.362 1 3 -7.80195158891987 925262 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CN=CC=C2 1 0.919 3 3 0 -9.91246056579803 925202 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=NC=C2 1 0.919 3 3 0 -9.73300677099249 925199 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCC3=CC=CC=C32 1 2.35 2 3 -13.2892998919127 925012 CC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C2C(=CC=C4)N(C1=O)C 1 2.201 1 3 -2.13737886903522 924919 CC1=C(C(=CC=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)C 1 3.372 1 3 -6.69061013585895 924827 CC1=CC(=CC=C1)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N 1 3.528 2 2 -17.3651512646669 924714 CC1=CC2=C(C=C1)N=C(N2)C3=CC=NC=C3 1 2.606 3 0 7.06873303003686 924697 CC1=CC(=NC(=N1)NC(=O)C2=C(C=CC(=C2)Br)Cl)C 1 3.334 3 1 -4.83104124945527 924672 CC1=CC(=NC(=N1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C 1 2.48 4 3 0 -10.0731224807673 924650 CCOC1=CC=CC(=C1)C(=O)NC2=NCCS2 1 2.435 2 2 -13.4124393941834 924647 COC1=C(C=C(C=C1)Cl)C(=O)NC2=NCCS2 1 2.75 2 2 -10.0413220627715 924639 C1CSC(=N1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 3.972 2 2 -3.80408276408958 924634 C1CSC(=N1)NC(=O)C2=CC=CC=C2F 1 2.308 2 1 -12.7903839571022 924631 CC1=CC=CC=C1OCC(=O)NC2=NCCS2 1 2.424 2 2 -11.2386295145786 924612 CC1=C(C=C(C=C1)C(=O)NC2=NCCS2)Cl 1 3.253 2 1 -11.2655069958157 924611 C1CSC(=N1)NC(=O)C2=CC=C(C=C2)Cl 1 2.767 2 1 -9.53053987451908 924602 COC1=CC=CC=C1C(=O)NC2=NCCS2 1 2.086 2 2 -13.1188449216496 924600 C1CSC(=N1)NC(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.431 2 1 -8.97091342024379 924592 C1CSC(=N1)NC(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.431 2 1 -10.077274156511 924563 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=CC=C3C#N 1 2.279 2 3 -10.2349052102714 924469 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC(=CC=C3)F 1 2.606 1 3 -6.13601144113364 924330 CCN1C2=CC=CC=C2N=C1NC3=CC=CC=C3Cl 1 4.019 3 0 0.8730555842494 924319 CCCN1C2=CC=CC=C2N=C1NC3=CC(=CC=C3)OC 1 3.862 3 1 -0.617780226992933 924307 CCCN1C2=CC=CC=C2N=C1NC3=CC=C(C=C3)Cl 1 4.542 3 0 0.965132253042546 924295 CCN1C2=CC=CC=C2N=C1NCC3=CC=CO3 1 2.543 3 1 -3.8427774880707 924278 CCN1C2=CC=CC=C2N=C1NC3CCCCC3 1 3.636 3 0 -2.55418544570423 924071 CCCN1C2=CC=CC=C2N=C1NCC3=CC=CO3 1 3.067 3 1 -5.1996586074696 924026 CCOC1=CC=CC=C1NC2=NC3=CC=CC=C3N2C(C)C 1 4.064 3 1 -3.0238842958304 924024 CCC1=CC=CC=C1NC2=NC3=CC=CC=C3N2C(C)C 1 4.674 3 0 -0.781502697388145 923991 CCOC1=CC=CC=C1NC2=NC3=CC=CC=C3N2 1 3.132 3 1 0.912575460888614 923862 CN1C2=CC=CC=C2N=C1NC3=CC=C(C=C3)F 1 3.211 3 0 2.50003514830753 923830 CN1C2=CC=CC=C2N=C1NC3=CC=C(C=C3)OC 1 2.989 3 1 1.37519191369814 923822 CCN(CC)CCNC1=NC2=CC=CC=C2N1C 1 2.265 4 0 -3.12493542846812 923821 CN1C2=CC=CC=C2N=C1NC3=CC=CC=C3 1 3.006 3 0 1.46309098745653 923805 CCC1=CC=CC=C1NC2=NC3=CC=CC=C3N2C 1 3.948 3 0 1.23416163825057 923804 CN1C2=CC=CC=C2N=C1NC3=CC(=CC=C3)Cl 1 3.67 3 0 4.83237440455554 923710 CC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCCC3)C 1 4.21 2 1 -3.87992428532334 923706 CC1=CC(=CC(=C1)C(=O)NC2=CN=CC=C2)C 1 2.436 2 1 -5.33184591203495 923600 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2)OC 1 3.049 1 3 -8.08478192777071 923383 COC1=CC=CC(=C1)NC(=O)C2CC2 1 1.691 1 2 0 -2.90458445897418 923220 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CO2 1 1.172 2 5 0 -11.5548132579778 923210 CC1=C(CC(=O)N1C2=CC(=C(C=C2)F)Cl)C(=O)OC 1 2.224 1 3 -6.741424588036 923209 CCCN1C(=C(CC1=O)C(=O)OC)C 1 0.65 1 3 0 -10.3384760362629 923207 CC1=C(CC(=O)N1CCC2=CCCCC2)C(=O)OC 1 2.105 1 3 -12.871421415422 923206 CC1=C(CC(=O)N1C2=CC=CC(=C2)C(=O)C)C(=O)OC 1 1.094 1 4 0 -12.2878058097799 923199 CC1=C(CC(=O)N1C2=CC=C(C=C2)C(=O)OC)C(=O)OC 1 1.21 1 5 0 -9.87955827278095 923198 CC1=C(CC(=O)N1C2=CC=CC3=CC=CC=C32)C(=O)OC 1 2.263 1 3 -6.38630562722721 923095 CCC1=C(N(C(=NC1=O)SCC(=O)N)C2=CC=CC=C2F)O 1 2.638 3 3 -11.8068729350374 922960 C1=CC=C(C=C1)C(=O)NNC(=O)/C=C/C2=CC=CS2 1 2.292 2 2 -8.51994566232034 922418 COC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 2.199 2 6 0 -9.47420955407317 922312 C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 3.434 2 2 -11.0978498586013 921996 COC1=CC(=C(C=C1)C=NOC(=O)NC2=CC=C(C=C2)Cl)OC 1 3.683 2 4 2.57843862553893 921988 CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)C=NNC(=O)OC 1 3.737 3 2 -4.89751829319973 921983 CCC(CC)(C(=O)N(C1=CC=C(C=C1)C)NC2=CC=C(C=C2)C)O 1 4.898 2 2 -9.28640612247763 921969 CC1=CC=C(O1)C2=CC=CC=C2NC(=O)CCl 1 2.542 1 2 -0.46228611544302 921948 CN(C)N=NC1=CC2=C(C=C1)N=CN2 1 1.729 5 0 0 2.85910873504475 921945 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 1 1.374 2 4 0 -17.182367716561 921932 CC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.795 4 0 6.61195717642119 921927 C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3 1 3.402 2 2 -12.3897448023358 921924 CC(=O)NC1=NN=C(S1)CSCC2=CC=C(C=C2)F 1 1.955 3 1 0 -11.217364568276 921918 C1=CC=C2C(=C1)N=C3C(=N2)N(C(=N3)C4=CC=CS4)C5=CC=C(C=C5)F 1 5.07 4 0 -1.43024251989306 921915 CC1=C(C=C(C=C1)C(=O)C2=CC3=CC=CC=C3O2)[N+](=O)[O-] 1 4.209 1 4 -0.955618842181126 921913 CC1=CC2=NC(=S)N(N2C=C1)C(=O)C3=CC=CC=C3 1 2.717 3 1 -7.03601191720555 921904 CC1=CC(=NC(=N1)N2CCOCC2)OC3=CC=C(C=C3)C#N 1 2.063 4 2 -2.96095991036222 921893 C1=CC(=CC=C1C(=O)COC(=O)C2=NC=CN=C2)[N+](=O)[O-] 1 0.963 3 5 0 -13.9951769196461 921883 CC(=O)NC1=NN=C(S1)CSCC2=CC=CC=C2F 1 1.955 3 1 0 -12.843810476334 921858 C#CCN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC4=CC=CC=C4O3 1 4.97 3 2 -0.473542742379035 921856 CCOC(=O)CN1C=C(C2=CC=CC=C21)C=NNC(=O)CC#N 1 1.633 4 3 0 -14.6854731782522 921847 C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4 1 4.283 2 1 -3.14850678561338 921840 C1CCC(=NCC1)NNC(=O)NC2=CC=C(C=C2)Cl 1 2.208 4 1 -5.72516684991482 921839 C1=CC(=CC=C1S(=O)(=O)NC2=NC=NN2)Cl 1 1.283 4 2 0 -3.87864934157399 921830 CC(C)(C=NO)/[N+](=C/C1=CC=CC=C1C(F)(F)F)/[O-] 1 2.229 2 2 3.09934652308326 921820 C1=CC=C(C=C1)CN(CCO)C(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.172 2 4 0 -10.6146102805753 921813 CNC(=S)NN=CC1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)F 1 4.52 4 0 -5.70393007877532 921812 CC(C)(C(=O)NN(C1=CC2=CC=CC=C2C=C1)C(=O)C3=CC=CC=C3)O 1 3.022 2 3 -10.4240653897832 921808 CC1=CC2=NN(N=C2C=C1N)C3=CC=C(C=C3)Cl 1 3.576 4 0 3.59809148097817 921807 C1CCC2=C(C1)C(=CS2)C(=O)NN=CC3=CC=CO3 1 3.123 2 2 -6.16994457407516 921801 CC1=CC(=NC(=N1)N2CCOCC2)NC3=CC(=CC=C3)F 1 1.742 4 1 0 3.71880740510461 921800 CN(C)C1=CC=C(O1)/C=C(/C#N)\C(=O)NCC2=CC=CC=C2 1 2.61 3 2 -16.3120726095802 921795 C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)CC(=O)O 1 3.02 1 3 -5.11932655856894 921788 CC1=CC=CC=C1OCC(=O)NC2=NN=C(S2)C3CCCC3 1 3.341 3 2 -7.70060384666347 921787 C1CC(=NC1)N(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 3.028 3 1 -4.80131859788112 921781 CC(C)CC(=O)NC1=NN=C(S1)CSCC2=CC=C(C=C2)F 1 3.33 3 1 -15.9480970626833 921780 C1=CC=C2C(=C1)C=CC=C2OCC(=O)NNC(=O)C3=NC=CN=C3 1 0.742 4 3 0 -10.7041735404046 921775 COC1=CC=C(C=C1)CNC2=NC=NC3=C2NC4=CC=CC=C43 1 3.415 4 1 1.06087039300583 921753 C1COCCN1C2=NC3=CC=CC=C3C=C2C=C(C#N)C#N 1 1.971 4 1 0 0.657604994015454 921743 CCOC(=O)C1=C(N=C(S1)NS(=O)(=O)C2=CC=CC=C2)C 1 2.093 2 4 -10.3113766465284 921739 CC1=CC(=C(C2=NC3=CC=CC=C3N12)C(=O)NN)C 1 1.615 4 1 0 -6.46288610900268 921731 C1=CC(=C(C=C1C(=O)COC(=O)C2=NC=CN=C2)[N+](=O)[O-])Cl 1 1.627 3 5 0 -14.7803244744934 921729 COC(=O)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=C(C=C2)F 1 3.329 3 5 0 -4.95218043191465 921722 CCOC(=O)CCCC1=CC=C(C=C1)C(=NNC(=S)N)C 1 2.931 3 2 -13.6882921957258 921693 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)O)C(=O)O 1 3.532 1 4 -11.956265396477 921619 CCN1C(=CC(=O)N=C1SCC(=O)N2CCCCC2)O 1 1.631 3 3 0 -15.3598344219671 921618 CC1=C(C=C(C=C1)N(C(=O)C2=CC=CC=C2)NC(=O)C(C)(C)O)C 1 3.086 2 3 -12.2268401308583 921617 CC1=CC(=CC=C1)OCC2=NN=C(S2)NC(=O)C3=CC=CS3 1 3.288 3 2 -9.16416416080007 921616 C1=CC=C(C(=C1)C2=CC=C(O2)C=NNC(=O)C3=CC=CS3)C(=O)O 1 3.471 2 4 -6.21412947913875 921615 C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=CS2)/C#N 1 2.881 2 1 -14.6498935219167 921612 C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=O)CC3=NN=C(S3)N 1 2.057 5 2 0 -2.95016882617042 921604 CC1=CC=C(C=C1)C2N3N2CCC3 1 1.601 2 0 0 -9.0860749357103e-002 921587 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NC4=CC=C(C=C4)F 1 3.515 4 0 9.96393235275002 921583 C1=CC=C(C=C1)C2=NC(=S)C3=C(N2)C=CC(=C3)Br 1 4.141 2 0 -2.18584982863803 921568 C1=CC(=CC=C1CCNC(=O)C2=COC(=O)C(=C2)Br)F 1 2.054 1 3 -5.08461386061379 921563 C1=CC=C(C(=C1)C2=CC(=O)OC(=N2)C3=CC=CC=C3F)F 1 3.723 1 2 -4.03461876436356 921549 C1=C(OC(=C1)C(=O)NN)CN2C=C(C=N2)Cl 1 0.711 4 2 0 -4.78238434205829 921541 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NC4=CC(=C(C=C4)F)F 1 3.72 4 0 10.4806357676953 921520 CN1C=C(C2=CC=CC=C21)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.077 4 3 0 -6.42686543731686 921516 CCOC(=O)C1=C(C2=C3CC(OCC3=C(N=C2S1)C(C)C)(C)C)N 1 3.362 2 3 -15.0036187528214 921490 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC(=C(C=C4)C#N)C#N 1 4.945 4 0 3.74337943155951 921485 COC(=O)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2F 1 3.329 3 5 0 -6.5398010802469 921484 C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4 1 2.914 3 2 4.23013365560256 921459 C1=CC=C(C(=C1)OCC(=O)NC2=NN=C(S2)C3=CC=NC=C3)F 1 1.903 4 2 0 -7.87262541965258 921440 CC(C)C=NNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C 1 0.78 6 2 0 -12.7227771768222 921416 C1CCC(=NNC2=NN=C(C3=CC=CC=C32)Cl)C1 1 2.783 4 0 -5.65830646209961 921409 COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC=CO3 1 2.3 4 3 0 -5.12179682089219 921407 CC1=CC=CC(=C1)C2=NC(=CC(=O)O2)C3=CC=C(C=C3)OC 1 3.782 1 3 -0.289164658115961 921388 CN(CCO)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 2.234 1 2 -4.38115131060065 921376 CCC1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)C3CCCC3 1 3.797 3 2 -8.01689924198636 921372 C1=CC(=CC=C1C2=NNC(=C2)C(C(F)F)(F)F)F 1 3.657 2 0 4.25853843395758 921370 CC1=NN(C(=C1C=NNC(=O)C2=CC=NC=C2)Cl)C3=CC=CC=C3 1 2.5 5 1 -3.12008978359837 921367 C1CCCCCC(CCCCC1)NCCN2CCNCC2 1 3.939 3 0 -4.83252829705044 921347 CC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=CC=CC=C1O 1 2.952 2 2 -4.36105386284854 921340 CCOC1=CC=C(C=C1)N(C2=NCCC2)C(=O)NC3=CC=CC=C3 1 3.361 3 2 -5.18527640833725 921320 COC1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.94 3 2 10.5939824426902 921317 C1=CC=C2C(=C1)N=C3C(=N2)N(C(=N3)C4=CC=CS4)C5=CC(=CC=C5)F 1 5.07 4 0 -0.298244917695093 921313 C1=CC=C2C(=C1)C=CC=C2NC3=NC(=NC4=CC=CC=C43)C5=CC=NC=C5 1 4.217 4 0 8.42671088624163 921302 C1CCC(C1)C2=NN=C(S2)NC(=O)COC3=CC=CC=C3F 1 3.06 3 2 -8.03204105504456 921288 CC1=C2C(=NN=C(C2=C(N1N)C)C)C 1 0.578 4 0 0 -2.452490979008 921277 CCN(CCO)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 2.582 1 2 -6.69622200493659 921274 CC1=NC(=C(C(=C1)C(=O)OC)C#N)N 1 0.488 3 2 0 -8.28109528132826 921268 CC1=C(C=C(C=C1)NC2=NC(=NC(=C2)C)N3CCOCC3)Cl 1 2.687 4 1 2.17136099904908 921242 CCCN1C2=CC=CC=C2N=C1COC3=CC=CC=C3 1 4.184 2 1 0.563616643245074 921237 C1CN(CCN1)C2=NC(=CC(=N2)C3=CC=CC=C3)C#N 1 1.79 5 0 0 -1.29476967676364 921225 C1=CSC(=C1)C2=NC(=C(N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F 1 5.763 2 0 3.64279671472287 921224 COC1=CC=C(C=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.98 2 3 0 -10.6678518500762 921219 CCOC(=O)/C(=C/C1=CC2=CC=CC=C2N=C1N3CCOCC3)/C#N 1 2.296 3 3 -6.86595455672863 921200 CC1=CC(=NC(=N1)N2CCOCC2)OC3=CC=CC=C3 1 2.184 3 2 -0.823454772660341 921199 CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=C2C)C)C)C 1 3.338 3 0 -3.69989717989464e-002 921187 CC1=C(C=C(C=C1)S(=O)(=O)N2C=NC3=CC=CC=C32)[N+](=O)[O-] 1 3.083 3 4 0 -8.20469042719231 921185 C1=CC=C(C=C1)P(=O)(COC2=CC=CC=C2N)C3=CC=CC=C3 1 4.268 1 2 -5.00269795574736 921170 CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)O)Cl 1 3.815 0 3 2.03252120003618 921163 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4 1 3.125 3 1 -5.74569701515717 921161 C1=CC=C(C=C1)C(=O)CP(=O)(C2=CC=CC=C2)NN 1 1.323 2 2 0 -4.97116771694551 921158 CC1=CC(=C(C=C1)C)NC2=NCCCS2 1 3.265 2 0 -5.98445995239925 921155 COC(=O)NN=CC1=CC=C(O1)C2=CC(=CC(=C2)Cl)Cl 1 4.196 2 3 -0.913705584485922 921149 C1=COC(=C1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl 1 2.908 3 3 -6.80281201029538 921133 CC1=NN=C(S1)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.082 3 2 -4.27877977090915 920934 CC1=CC(=C(C=C1)C)OCC(=O)N2CCOCC2 1 1.739 1 3 0 -7.1698545578057 920802 C1CCC(CC1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F 1 4.443 2 1 -6.53391748157957 920769 COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=N2 1 3.606 3 2 -4.85502682679917 920618 COC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2 1 3.478 2 2 -10.3241574680113 920445 C1CCC(CC1)NC(=S)NC(=O)C2=CC=C(C=C2)Cl 1 4.434 2 1 -8.10082739281153 920441 C1CCC(CC1)NC(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.783 5 1 0 -18.4179487393814 920439 CN1C(=CC=N1)C(=O)NN=CC2=CN=CC=C2 1 0.474 5 1 0 -10.5961373157133 920434 CN1C(=CC=N1)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 1.519 5 3 0 -12.1334221933233 920424 CCCC1=NN=C(S1)NC(=O)C2=CC=NC=C2 1 1.321 4 1 0 -11.6442500449113 920409 CCOC1=C(C=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=CC=CS3)OC 1 3.582 1 4 -15.8149894985899 920401 CC1=NN(C(=C1C=NNC(=O)C2=CC=NN2)Cl)C3=CC=CC=C3 1 2.386 6 1 0 -2.28767822030568 920396 CCOC(=O)C1=CC=CC=C1N/C=C/2\CCCCC2=O 1 2.771 1 3 -11.5326725385296 920392 CC1=NN=C(S1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 0.802 4 3 0 -16.407354438008 920391 CCNC(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC 1 0.892 2 5 0 -13.9846445107995 920390 C1CCCC(=NNC(=S)NC2=CC=C(C=C2)F)CC1 1 4.472 3 0 -9.40473055156008 920377 CCNC(=S)NCC1=CC=CO1 1 1.771 2 1 0 -9.5035766046048 920369 CCCN1C2=CC=CC=C2N=C1NC3=CC=CC=C3 1 3.878 3 0 -1.18193357293002 920358 C1=CC(=C(C=C1C(=O)NN2C=NN=C2)[N+](=O)[O-])Cl 1 0.792 5 3 0 -8.73160284415665 920341 CC1=CC(=CC=C1)N2C(=NC3=NC4=CC=CC=C4N=C32)C5=CC=CO5 1 4.793 4 1 3.49822441143997 920321 CC1=CC=C(C=C1)N2C(=NC3=NC4=CC=CC=C4N=C32)C5=CC=CO5 1 4.793 4 1 1.27207874021839 920318 COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2C3CCCCC3 1 4.608 3 1 -4.3390768615258 920316 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CS4 1 3.486 3 2 -7.47944735013459 920311 CC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3OC)OC)C=N2 1 3.089 2 3 -2.66717138255997 920307 CCN1C(=C(C(=N1)C)C=NNC(=O)C2=NN3C(=CC(=NC3=N2)C)C)C 1 1.187 8 1 0 -14.107100263101 920294 CC1=CC(=NC2=NC(=NN12)C(=O)NN=CC3=CN(N=C3C)C)C 1 0.693 8 1 0 -9.93632427063072 920276 CC(C)N1C2=CC=CC=C2N=C1NC3=CC=CC=C3 1 3.732 3 0 -0.55257334818218 920273 COC1=CC=CC(=C1)N2C(=NC3=NC4=CC=CC=C4N=C32)C5=CC=CO5 1 4.29 4 2 0.726811094577482 920272 CC1=NN(C(=C1C=NNC(=O)C2=CC=NN2C)Cl)C3=CC=CC=C3 1 2.592 6 1 0 -8.13767771440232 920268 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=C(C=C(C=C3)O)C(=O)O 1 2.91 1 4 -4.0819321567275 920261 CCNC(=O)NN1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3 1 2.213 4 2 -6.80859391983013 920251 CC1=CC=CC=C1NC(=O)C2=C(C=NN2C)[N+](=O)[O-] 1 1.936 4 3 0 -8.79197746191734 920218 CC1=CC(=NC(=N1)NC2=NC=C(N2C3=CC=CC=C3)O)C 1 2.144 5 1 -1.30729291041294 920217 CC1=CC=CC=C1NC(=O)C2=C(NC(=S)C(=C2C3=CC=CO3)C#N)C 1 3.227 3 2 -10.0236929203395 920195 COC1=CC=C(C=C1)OCC(=O)NNC2=NC3=CC=CC=C3S2 1 2.444 3 3 -1.61194831996973 920164 COC(=O)NN=CC1=CC(=CC=C1)OC(=O)C2=CC3=C(C=C2)OCO3 1 2.862 2 6 0 -14.2690370655406 920148 C1CN(CC2=CC=CC=C21)C3=NC=NC4=C3NC5=C4C=C(C=C5)F 1 3.918 4 0 5.5357623308872 920132 CC1=CC=CC2=C1NC(=O)C(=C2C)CC=C(Cl)Cl 1 3.893 1 1 -5.01735174537101 920118 CC1(CC2=C(C(=NC(=C2CO1)C3=CC=CO3)N4CCCC4)C#N)C 1 2.903 3 2 -6.44388942648553 920105 CC(C)N(C1=CC(=O)OC12CCCCC2)C(C)C 1 3.326 1 2 -2.23536981539443 920066 CC(=O)NC1=CC=C(C=C1)C(=O)N2CC(=O)NC(=O)C2 1 -1.106 3 4 0 -14.1828932793045 920060 COC(=O)NN=CC1=CC=C(C=C1)OC(=O)/C=C/C2=CC=CO2 1 2.957 2 5 0 -10.1049129599959 920039 CSC1=NC(=C2CCCCCC2=C1C#N)N3CCOCC3 1 3.997 3 1 -9.73301333252702 920008 CC1CCN(CC1)CC(=O)N2C(=C(C3=CC=CC=C32)C)C 1 3.92 2 1 -2.85271837148428 919995 C1=CC=C2C(=C1)N=C(S2)NNC(=O)NC3=CC=C(C=C3)F 1 2.739 4 1 1.33192083135296 919994 CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)O 1 2.241 2 3 -9.15099563232301 919993 CC1=CC=CC2=C1NC=C2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.616 3 3 -9.41182437326531 919981 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=CC3=CC=CC=C32)C 1 4.939 1 2 -3.05885821688321 919980 C1=CC(=CC=C1CN2C=C(C(=N2)N)Br)C(=O)NN 1 1.114 5 1 0 -7.68350918666562 919968 CC1=C(SC=C1)C=NNC(=O)C2=CC3=C(C=C2)OCCO3 1 2.908 2 3 -8.03800379408301 919961 CC1=CC(=NC(=C1C#N)SCCN2CCOCC2)C 1 2.234 3 1 -9.70031077000386 919940 CC(=C(C(=O)NC)NC(=O)C1=CC=CC=C1)C 1 1.409 2 2 0 -11.2061765409825 919906 COC1=CC=C(C=C1)CNC(=S)NN=CC2=CC=NC=C2 1 2.648 4 1 -6.99994258690383 919893 COC1=CC=CC=C1C2=CC=C(O2)/C=C/3\C=CC(=O)O3 1 3.26 0 4 -0.655598210408114 919877 CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC=CC=C3 1 4.017 3 1 -1.99342446230089 919836 CC1=CC(=O)OC(=C1C(=O)N2CCCC3=CC=CC=C32)C 1 2.765 1 3 -12.1686303238524 919835 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CC=C3Cl)C4=CC(=CC=C4)O 1 4.698 2 2 -1.50935711619884 919808 COC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)NCC3=CC=CC=C3 1 3.769 2 2 -4.99751171958089 919801 C1C2=CC=CC=C2OCC(=O)N1 1 0.626 1 2 0 -1.08772884224276 919800 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CC=C3Cl)C4=CC=C(C=C4)O 1 4.698 2 2 -2.37198092366346 919775 CC1=CC=C(C=C1)C(=O)NNC2=NC3=CC=CC4=C3C2=CC=C4 1 3.273 3 1 0.680073502003144 919750 C1=CC=C2C(=C1)C=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)O 1 4.207 2 2 -3.2035697747615 919748 CC(=C1C(=O)N=C(S1)N2CCOCC2)C 1 1.51 2 2 0 -7.72298804207581 919728 CN(C)CC1=CC2=CC=CC=C2C3=C1COC3 1 2.369 1 1 3.21711794790757 919721 CC1=CC(=C(N1C2CCCCC2)C)C=NNC(=O)N 1 2.257 4 1 -9.24279138744257 919716 C1=CC(=CC=C1C(=O)/C=C/C(=O)O)O 1 1.571 0 4 0 3.13095040157263 919704 CC1CCN(CC1)CC(=O)C2=C(NC3=CC=CC=C32)C 1 3.183 2 1 -2.40638354127915 919679 CC(C)(C)OC(=O)NN=CC1=CC=C(C=C1)C(=O)O 1 2.223 2 4 -9.29232013666034 919678 C/C(=C/CC1(C(=O)NC(=O)NC1=O)CN2CCCC2=O)/Cl 1 2.4e-002 3 4 0 -15.8562386832514 919665 CCOC(=O)N1CCN(CC1)C2=NC=NC3=C2NC4=C3C=C(C=C4)F 1 2.468 5 2 0 5.55278664846813 919644 CC(=C1C(=O)N=C(S1)N2CCCCC2)C 1 2.74 2 1 -6.13390191936304 919629 COC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)C5=CC=CC=C5 1 5.572 3 1 -2.04614274599073 919625 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)OC(C)(C)C 1 3.453 3 2 -12.2816646597915 919617 CC(C)(C)C1CCC2(CC1)N(C(=O)CS2)C3=CC=C(C=C3)OC 1 4.095 1 2 -5.27972752551856 919614 C1=CC=C2C(=C1)C=C(O2)C(=O)NNC(=O)C3=CC=CC=C3C(=O)O 1 2.096 2 5 0 -3.86319942355434 919612 CC1(NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)C 1 2.53 2 2 -4.19223717162713 919611 CCN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3 1 1.656 4 1 0 -2.05190382665268 919606 CCCC1=C2COC(CC2=C3C(=C(SC3=N1)C(=O)OCC)N)(C)C 1 3.356 2 3 -15.4181188106336 919600 CC1(CCCN(C1)CC(=O)C2=CNC3=C2C=C(C=C3)OC)C 1 3.363 2 2 2.09313178129065 919598 CC(C)OC1=C(C=C(C=C1)CON(C(=O)C)C(=O)C)Cl 1 2.167 1 4 -2.3246710101345 919597 C1=CC=C2C(=C1)N=C(S2)NNC(=O)C3=CC=C(C=C3)F 1 2.83 3 1 1.47637288685798 919590 CC(C)(C)OC(=O)NN=CC1=CC=CN1C2=CC=C(C=C2)[N+](=O)[O-] 1 3.655 4 4 0 -7.45379612477141 919550 CN1C=CC=C1/C=C\2/C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3 1 2.244 3 3 -5.2970717452417 919538 COC(=O)NN=CC1=CC=C(O1)C2=C(C=CC(=C2)Cl)Cl 1 4.196 2 3 0.502587976988159 919521 C1CN=C(N1)SCC2=CC(=C(C=C2)O)[N+](=O)[O-] 1 1.89 3 3 0 -5.84848848128629 919511 CC(=O)N1C2=CC=CC=C2C(=CC1(C)C)CBr 1 2.664 1 1 -2.5224731724411 919508 CC1=CC=C(C=C1)CC(=O)NCCC(=O)O 1 1.288 1 3 0 -13.0408803782015 919458 COC1=C(C=C(C=C1)CC(=O)NN=CC2=CC=C(S2)Cl)OC 1 3.097 2 3 -4.87850340532832 919454 CN(C)C1=CC=C(C=C1)C=NNC(=O)CCC2=NC3=CC=CC=C3N2 1 2.837 5 1 -11.6790405771926 919451 CC(C)CCOC1=CC=C(C=C1)C2=NNC(=O)CC2 1 2.613 2 2 -11.073134412976 919438 CC(=C(C(=O)N)NC(=O)C1=CC=CC=C1)C 1 1.203 2 2 0 -7.92609596532106 919433 CC(=NO)C1CCCCC1 1 2.089 1 1 0.969646069836066 919421 CN1C2=C3C(=C(C=C2)C=O)C=CC=C3N(C1=O)C 1 1.772 2 2 0 -3.34107630362246 919415 CC1=C(C2=CC=CC=C2N1C)C=NNC(=O)C3=NNC(=C3)C(C)(C)C 1 3.892 5 1 -3.48703674235806 919410 C1COCCN1C(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl 1 3.465 1 3 1.47230107671325 919409 COC(=O)C(CC(=O)C1=CC=CC=C1)CC(=O)C2=CC=CC=C2 1 3.056 0 4 -6.21473965157152 919386 CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC4=CN=CN4 1 1.824 5 1 0 1.6289566813503 919360 C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 2.098 2 5 0 -9.97816378681016 919346 CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NN 1 0.711 5 2 0 1.85841968116674 919332 CC(C)OC1=CC=C(C=C1)CC(=O)C 1 2.305 0 2 -4.18843997153373 919307 CSC1=NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)N1CC=C 1 5.05 2 1 -19.8155553376807 919306 C1C2=CC=CC=C2C3=NC4=C(C=CC=C4Cl)C(=O)N31 1 3.117 2 1 -1.6601085082527 919304 CC1=CC=C(S1)C=NNC(=O)C2=CC3=C(C=C2)OCCO3 1 2.568 2 3 -6.66336993661188 919273 CC1=C(C2=CC=CC=C2N1C)C(=O)CN3CCCC(C3)(C)C 1 3.731 2 1 -0.255534219184095 919266 CC1=C(C(=NN1CC(=O)O)C)Cl 1 1.053 2 2 0 -6.22582384890551 919264 CC1=CC(=O)OC(=C1C(=O)NCCC2=CC=C(C=C2)F)C 1 2.562 1 3 -9.35222744451944 919256 CC1=CC=C2N1CCN3C2=C(C(=C3C(=O)C)C)C 1 3.498 2 1 -4.58374294518322 919242 CC1=NC2=CC=CC=C2C(=O)N1CC=C 1 1.652 2 1 0 -9.67537889080251 919235 C1=CC=C(C=C1)C(=O)NNC2=NC3=CC=CC=C3O2 1 2.067 3 2 -1.85219316639361 919232 C1=CC=C(C=C1)CNC(=O)C2=COC(=O)C=C2 1 1.075 1 3 0 -10.4091967004706 919218 C1=CC2=C(C=C1F)C3=C(N2)C(=O)N(C=N3)CC4=CC=NC=C4 1 2.179 4 1 -0.230412251817334 919212 COC1=C2C=CC=C(C2=C(C=C1)C(=O)C3=CC(=C(C=C3)OC)OC)O 1 3.851 0 5 0.708222310418566 919207 C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC=CC=C3[N+](=O)[O-] 1 2.363 3 5 0 -9.86576303339485 919162 CCOC(=O)C1=C(N(C2=C1C=C(C3=CC=CC=C32)O)CC=C)C 1 3.962 1 3 -6.43961278192219 919161 CC1=C(C(=NC(=N1)N)Cl)CC2=CC=C(C=C2)OC 1 2.94 3 1 -2.14019514184632 919150 C1=CC2=[N+](ON=C2C3=C1N=NC=C3)[O-] 1 -1.572 4 2 0 4.41658877030321 919147 CC1=CC(=C2C(=C1)N=C(C(=N2)Cl)Cl)C 1 4.013 2 0 1.6610760329236 919116 C1CCC(CC1)C2=CC=C(C=C2)NN=C3CCCCC3=O 1 4.784 2 1 -5.27454601167199 919103 CC(C)(C)C1=CC(=C(C=C1)C(=O)O)C(=O)C2=CC=C(C=C2)C(=O)O 1 3.894 0 5 -0.331230824957947 919099 COC1=CC(=C(C=C1)C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42)OC 1 4.836 0 3 1.12214167561326 919089 C1=CC=C(C(=C1)C(=O)NNC2=NC3=CC=CC4=C3C2=CC=C4)Cl 1 3.451 3 1 -0.799565315109343 919070 C1CCC(=CC1)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F 1 4.074 3 1 -2.77254628560423 919038 CC1(NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C 1 2.547 2 1 -4.20898715463763 919020 COC(=O)NN=CC1=CC=C(O1)C2=CC(=C(C=C2)Cl)Cl 1 4.196 2 3 -1.08507365018366 919001 C1=CC=C(C=C1)N2[C@@H]3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O 1 3.583 2 2 -6.46180903953288 918987 CC(=NNC(=O)C1=CC2=C(C=C1)OCCO2)C3=CC=CC=C3 1 2.449 2 3 -11.4034364966054 918977 COC1=CC=C(C=C1)/C=C/C(=O)C2(CCCCC2)O 1 3.267 0 3 0.848361641833665 918958 CC1=NC2=CC3=CC=CC=C3C=C2C(=C1)Cl 1 3.871 1 0 6.13174728575565 918936 CCN(CC)C(=O)C1=C(C(=NN1C)C(C)(C)C)[N+](=O)[O-] 1 2.606 4 3 0 -6.07152060207559 918926 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)N2C=NN=C2 1 0.335 4 4 0 -8.30803597641782 918920 CC1=CC=CC=C1NC(=O)C2=C(C(=NN2C)C(C)(C)C)[N+](=O)[O-] 1 3.765 4 3 0 -5.15223022356196 918908 CN1C(=NNC1=S)CSCC2=CC=C(C=C2)F 1 2.707 3 0 -6.74783862532195 918875 CC1=CC2=NC(=CN2C=C1)CSC3=CC=CC=C3 1 3.397 2 0 8.32040435012366e-003 918816 CN1C(=NNC1=S)CSCC2=C(C=C(C=C2)Cl)Cl 1 3.831 3 0 -5.60797535808191 918815 CCN1C(=NNC1=S)CSCC2=CC=C(C=C2)C 1 3.337 3 0 -7.58242133942501 918813 C=CCN1C(=NNC1=S)CSCC2=CC=C(C=C2)F 1 3.324 3 0 -11.4452616894438 918667 CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C 1 2.174 2 4 -4.25118294209355 918504 C1CCC(C1)CCC(=O)NNC(=O)C2=CC=C(C=C2)F 1 2.784 2 2 -11.0722968439653 918496 C1CCC(C1)CCC(=O)NNC(=O)C2=CC(=CC=C2)Cl 1 3.243 2 2 -9.31126042528588 918488 C1COCCN1C=NC2=C(C=NN2CC3=CC=CC=C3)C#N 1 1.262 5 1 0 -7.52506687626555 918474 CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N=CN3CCCCCC3 1 3.427 5 0 -0.534134086407555 918473 CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N=CN3CCN(CC3)C 1 2.011 6 0 1.91702526383319 918472 CN1CCN(CC1)C=NC2=C(C=NN2C3=CC=CC=C3)C#N 1 1.525 6 0 0 1.25053275324556 918470 CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N=CN3CCOCC3 1 1.741 5 1 0 -2.21423243189904 918469 CN1C(=C(C=N1)C#N)N=CN2CCCCC2 1 0.908 5 0 0 -3.04084318568575 918468 CN1C(=C(C=N1)C#N)N=CN2CCCCCC2 1 1.364 5 0 0 -3.04084318568575 918467 CN1CCN(CC1)C=NC2=C(C=NN2C)C#N 1 -5.2e-002 6 0 0 -0.589683835444998 918466 CN1C(=C(C=N1)C#N)N=CN2CCCC2 1 0.452 5 0 0 -2.68637467151767 918465 CN1C(=C(C=N1)C#N)N=CN2CCOCC2 1 -0.322 5 1 0 -4.72094153117723 918453 CCOC(=O)C1=C2C=C(C=CN2C3=C1C(=O)C4=CC=CC=C4C3=O)C 1 3.622 1 4 -3.97258232444949 918404 C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=O 1 1.494 3 2 0 -10.1986340896306 918318 C1=CC=NC(=C1)C2=NNC(=N2)COC3=CC=C(C=C3)Br 1 2.996 4 1 2.98487531562518 917557 CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)NC(C)(C)C)C 1 2.633 4 3 0 -8.93248786074341 917546 CC1=CC(=O)OC(=C1C(=O)NC2=CC=CC=C2F)C 1 2.234 1 3 -8.74973696964103 917541 CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)N2CCOCC2)C 1 1.596 4 4 0 -7.14390325928382 917527 CC(C)CC(=O)NN=CC1=C(N(C(=O)N(C1=O)C)C)N 1 -0.403 5 3 0 -15.3271712201481 917501 COC1=C(C=C(C=C1)C=NNC(=O)C2=NON=C2N)OC 1 0.675 5 4 0 -16.3709314574524 917499 C1CSC(=N1)N(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 3.8 3 1 -7.40513171953048 917494 CC1=CC(=O)OC(=C1C(=O)NC2=CC=CC3=CC=CC=C32)C 1 2.936 1 3 -8.47123357773364 917482 CCN(CC)C1=NC2=C(S1)C(=O)NCCC2 1 1.104 3 1 0 -9.1704035077393 917480 CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)N(C)C)C 1 1.908 4 3 0 -3.78699862448232 917464 CC1=CN(C=N1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)OC 1 2.249 2 3 -4.21705127405103 917461 CC1=CC=CC=C1NC(=O)C2=C(OC(=O)C=C2C)C 1 2.514 1 3 -10.2478751929534 917453 CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)NC2CCCCC2)C 1 3.561 4 3 0 -5.83368676537448 917452 CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2)C 1 3.279 4 3 0 -2.83450138072046 917438 C1CSC(=NCC2=CC=CC=C2)N1C(=O)NC3=CC=C(C=C3)Cl 1 4.464 3 1 -5.0270007150325 917428 CC1=CC(=O)OC(=C1C(=O)NC2=CC=C(C=C2)F)C 1 2.234 1 3 -6.87331859193955 917409 C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl 1 4.117 2 3 -1.37857428479616 917407 CC1=C(C(=NC(=N1)C2=CC=CC=C2)OC)CC(=O)O 1 2.141 2 3 -0.110409339337443 917405 CC1=CC(=NN1CCC(=O)NN=CC2=CC(=C(C=C2)OC)O)C 1 1.602 4 3 0 -12.0416265591178 917389 CC1=CC(=C(C=C1)N2C(=C(C3=C2C=CC(=C3)O)C(=O)C)C)C 1 4.521 1 2 0.321087523284543 917388 CC1=CC2=NC(=C(N2C=C1)NC(=O)C3=CC=CS3)C4=CC=CC=C4 1 4.28 3 1 -5.34784060772186 917385 CCN1C(=C(C2=C1C3=CC=CC=C3C(=C2)O)C(=O)OCC)C 1 3.694 1 3 -3.05145296699064 917378 CC1(CC(=O)C(=NNC2=CC=C(C=C2)Br)C(=O)C1)C 1 3.22 2 2 -8.12077044174946 917319 COC1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2Cl)[N+](=O)[O-])OC 1 3.76 1 5 -6.49138843360424 917309 C1=CC=C2C(=C1)C(=C(S2)C=NC3=C(C=CC(=C3)Cl)O)Cl 1 5.666 1 1 17.7591354167995 917299 C1CCC2=C(C1)C(=C(S2)N=CC3=CN=CC=C3)C(=O)N 1 2.447 3 1 -3.54832310186639 917296 CC(=O)OC1=C(N=C(O1)C2=CC=CC=C2)C=NC3=CC(=CC=C3)OC 1 3.553 2 4 11.3344839660066 917283 COC1=CC=C(C=C1)CCN2C=NC3=C(C2=O)NC4=CC=CC=C43 1 3.429 3 2 -1.05211300058246 917281 CC1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=S)N 1 3.49 3 1 8.35997036766359e-002 917279 CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C(C)(C)C 1 3.959 1 3 -16.2380808785891 917267 CC(=O)OC1=C(N=C(O1)C2=CC=CC=C2)C=NC3=CC=C(C=C3)N(C)C 1 3.731 3 3 7.75183764702323 917259 COC1=CC=CC=C1CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N 1 3.566 5 1 -14.3165827904598 917257 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C3=CC=CO3)C)C 1 3.506 1 5 -6.45517379142223 917244 CC(C)CC1=CSC(=C1C(=O)O)NC(=O)C2=CC=CC=C2Cl 1 4.345 1 3 -6.29471023379186 917238 C1CN(CCN1CC(=O)C2=CNC3=CC=CC=C32)C4=CC=CC=C4F 1 3.704 3 1 3.48568915619824 917237 CC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCC5=CC=CC=C5C4 1 4.198 4 0 5.23895780542905 917231 CCOC(=O)C1=CC=C(O1)CC(=O)C2=C(C=C(C=C2)O)O 1 2.675 0 6 3.80550427750245 917230 CC1=CC2=C(S1)N=C(OC2=O)C3=CC=C(C=C3)Br 1 3.821 1 2 -2.20655892762732 917228 CC(C)OC(=O)/C(=C/C1=CNC2=CC=CC=C21)/C#N 1 3.012 2 2 -7.65339562887235 917220 CC1=CC(=NN1CCC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])C 1 1.755 5 3 0 -16.8919915063279 917217 COC1=CC=CC=C1NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.98 2 3 0 -13.8647035907223 917207 C1=CC=NC(=C1)OCC2=CC(=C(C=C2)Cl)Cl 1 4.114 1 1 2.9342186527643 917185 CC1=CC=C(C=C1)NC(=O)C2=C(SC(=C2C)C)NC(=O)C 1 2.639 2 2 -9.85429208254778 917184 CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC4=CC=CC=N4 1 2.675 4 1 -2.61903028248675 917183 CC1=CC=C(C=C1)C(=O)SC2=CC=CC=CC2=O 1 3.46 0 2 -3.17111925389605 917180 CC1=CC(=NN1C(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C)C 1 2.816 3 2 -10.5786450539801 917172 CCN1C(=O)C(=CC2=CC=C(S2)C)C(=O)N(C1=S)CC 1 2.971 2 2 1.4041611139325 917122 CC1=CC(=C(C=C1)O)N=CC2=C(C3=CC=CC=C3S2)Cl 1 5.488 1 1 15.9957591176827 917117 CC(C)OC(=O)/C(=C/C1=CN(C2=CC=CC=C21)C)/C#N 1 3.217 2 2 -8.15699717105532 917107 C1C2CC3CC1CC(C2)(C3)N4C(=S)N=NN4 1 3.377 4 0 -4.00672560088089 917094 CC1=NC2=NNC(=C2C3=C1CCCC3)N 1 1.829 4 0 0 -3.65796999459008 917086 CC1=C(C2=C(N1C3=CC=CC=C3)C4=CC=CC=C4C(=C2)OC)C(=O)O 1 4.573 1 3 -6.37211109223964e-002 917084 C1C2=CC=CC=C2C3=NC(=CN31)C4=CC(=C(C=C4)Cl)Cl 1 4.877 2 0 10.2162949647189 917083 CCOC1=CC=C(C=C1)CC(=O)NNC(=S)NC 1 1.787 3 2 0 -11.2600980846092 917077 CC(C)CC1=CSC(=C1C(=O)O)NC(=O)C2=CC=C(C=C2)F 1 3.886 1 3 -5.33775911865577 917072 CC1=C(C(=CC=C1)C)N2CC(=O)N(CC2=O)C3=C(C=CC=C3C)C 1 3.629 2 2 -4.92853478797111 917070 CC1=CC(=NN1CCC(=O)NN=CC2=CC=C(C=C2)OC)C 1 1.844 4 2 0 -14.8240281539805 917069 CCC(=NNC1=NC(=CS1)C2=CC3=C(C(=CC=C3)OC)OC2=O)C 1 2.742 3 3 -3.00556997714676 917068 CN1C(=CC(=O)N=C1SCC(=O)NC2=CC=C(C=C2)Cl)O 1 2.4 3 3 -11.0874219235616 917059 CCN1CCN(CC1)CC(=O)C2=C(N(C3=C2C=C(C=C3)OC)C)C 1 2.51 3 2 -1.30513381397655 917057 CC1(CC2=C(CO1)C=C3C(=CSC3=N2)NC(=O)C4=CC=CC=C4)C 1 3.128 2 2 -15.6556320299545 917055 CN1C=CC=C1/C=C\2/C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F 1 2.45 3 3 -3.67298558847208 917030 CC1(OC(=O)C(=NNC2=CC=C(C=C2)C(=O)O)C(=O)O1)C 1 1.305 2 6 0 -8.25984843964515 917009 CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N=C(S2)N3CCCCC3)O 1 3.416 2 3 -4.83124535830956 916999 CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C)O 1 2.222 3 3 -12.9094206141484 916996 CCOC(=O)C1=C(C2=C3CC(OCC3=C(N=C2S1)C)(C)C)N 1 2.233 2 3 -14.5381733339389 916995 CC(=O)OC1=C(N=C(O1)C2=CC=CC=C2)C=NC3=CC=C(C=C3)OC 1 3.553 2 4 10.0712007651268 916993 CC1(OC(=O)C(=NNC2=CC=CC=C2C(=O)O)C(=O)O1)C 1 1.305 2 6 0 -6.44234792242052 916989 CC(=NNC(=S)N)C1(CCCCC1)C 1 2.649 3 0 -2.58898955390296 916986 CC1=CC(=NN1C(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl)C 1 2.745 3 2 -9.72035157812145 916985 C1CN(CCN1CC2=CN3C=CC=NC3=N2)C4=CC=CC=C4 1 2.103 5 0 2.65816075817205 916962 C1CN(C2=CC=CC=C21)C(=S)NC(=O)C3=CC=CC=C3Cl 1 4.858 2 1 -13.5253390260443 916889 C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC=CS2 1 3.448 2 1 -10.5290218565389 916878 C1=CC=C(C(=C1)C#N)NC(=S)NC(=O)C2=CC=CS2 1 3.598 3 1 -10.4471611180136 916838 C1CCCN(CC1)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.715 3 3 -15.4292185808659 916792 CC(=O)N(C)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 2.955 3 3 -9.91998767857397 916398 CC1=C(C(=NC(=N1)C(F)(F)F)NC2=CC=C(C=C2)OC)C#N 1 2.692 4 1 -3.20877348218513 916397 C1CCC(CC1)NC(=O)NNC(=O)C2[C@H]3[C@@H]2CCCC3 1 2.199 3 2 -8.45450821156367 916394 C1COCCN1CCN2C=NC3=C2N=CN=C3N 1 -0.41 6 1 0 -6.61847216481951 916392 COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2CC2 1 0.915 2 5 0 -12.4807939944237 916371 COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC 1 2.763 2 5 0 -14.908428988294 916370 CCC1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.617 5 2 0 -8.23183254613298 916362 CCOC1=CC=C(C=C1)N2C=NC3=C(C2=O)C4=C(S3)CCCC4 1 4.035 2 2 -14.2413066761379 916359 CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C(C)C 1 3.72 1 3 -11.2882880734329 916352 CCOC(=O)CSC1=NC2=C(C=CC=C2C)C(=N1)C 1 3.275 2 2 -9.44823162157698 916350 CN(C)C(=O)C#CC1=CC=CC=C1 1 1.834 1 1 0 -0.499499766454293 916344 C1=CC2=NC(=CN2C=C1)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-] 1 2.862 5 2 0 -3.90177585876303 916311 CCCC1=NN=C(N1N=CC2=CC3=C(C=C2)OCO3)SCC(=O)O 1 2.762 4 4 0 -13.312199297086 916305 CCC1=C2CCCCC2=C3C(=C(SC3=N1)C(=O)O)N 1 3.377 2 2 -9.15155177865104 916291 COC1=CC=CC=C1C(=O)NC2=C(N=C3N2C=CC=C3)C4=CC=CC=C4 1 3.824 3 2 -6.29332974915348 916290 C1COCCN1NC(=O)C2=CC=CC3=CC=CC=C32 1 1.348 2 2 0 -5.40000604183885 916288 CC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=CC=C(C=C1)OC 1 3.178 2 2 -6.78190960233403 916279 CCN1C2=C(C=C(C=C2)C(=NO)C)C3=C1C=CC(=C3)C(=NO)C 1 3.492 3 2 5.64161680762925 916272 C1=CC=C2C(=C1)C=C(O2)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.172 3 4 0 -2.51738433453551 916268 CC1=CC(=NN1CCC(=O)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C 1 2.42 5 3 0 -15.8851047971362 916259 CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)OC)C(=O)O 1 3.664 1 3 -1.05539407084279 916233 CC1=C(C(=O)C=CO1)OC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.689 1 4 -1.25686503346176 916230 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)NC(=O)N3 1 2.9e-002 2 3 0 -5.67197740007785 916222 CC1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)NC(=O)CCC(=O)O 1 1.969 3 3 0 -7.05235996001963 916217 C1=CC=C(C=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4 1 3.791 2 1 -4.46983546161453 916189 COC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCN4CCOCC4 1 1.351 4 3 0 -5.90293520145456 916174 CCOC(=O)C1=C(N(C(=C1C)C)CC2=CC(=C(C=C2)OC)OC)C 1 3.661 1 4 -10.8122286383412 916161 C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(S2)Cl)[N+](=O)[O-] 1 2.99 3 3 -4.37453427766039 916151 CC(C)C1=NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)N1N 1 3.436 3 1 0.337105711691772 916124 CC1=CC(=NN1C(=O)CNC(=O)C2=CC(=CC=C2)Br)C 1 2.164 3 2 -12.8547467927903 916123 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC 1 2.106 2 7 0 -15.1411740418618 916118 CCN1CCN(CC1)CC(=O)C2=CNC3=CC=CC=C32 1 2.175 3 1 -0.693453564111764 916088 C1CCC(C1)(C(=O)O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 4.354 0 3 -3.75445028257061 916071 CC1(OC(=O)C(=NNC2=CC=C(C=C2)Br)C(=O)O1)C 1 2.424 2 4 -5.02195553581343 916063 CC1=CC(=NN1C(=O)CNC(=O)C2=CC=CC=C2Br)C 1 2.164 3 2 -13.0077655328317 916055 C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NN 1 -0.51 4 2 0 -10.9704992799481 916049 CC(C)CN1C(=O)C2=C(N=C1SC)SC3=C2CC(OC3)(C)C 1 3.754 2 2 -26.187603192711 916048 CC(=O)NC1=CC2=C(C=C1)N=C3C(=N2)N(C(=O)N(C3=O)C)C 1 0.528 5 3 0 -11.3231060185817 916033 CC(C)N(CCN1C=NC2=C(C1=O)NC3=CC=CC=C32)C(C)C 1 3.132 4 1 -4.28724501236775 916027 CCC(=O)NC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O 1 2.606 1 3 -7.99275290838577 916016 C1CC[C@H]2[C@@H](C1)C2C(=O)NNC(=S)NC3=CC=C(C=C3)F 1 3.617 3 1 -4.63376111250881 916007 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-6.87313273969589 912433 COC1=CC=CC(=C1OC)C(=O)NC2=CC3=C(C=C2)OCO3 1 2.349 1 5 -9.51844720523131 912419 COC1=CC=CC(=C1OC)C(=O)NC2=CC=CC3=CC=CC=C32 1 3.49 1 3 -7.8716827344777 912405 CN(C)C1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)OC)OC 1 2.744 2 3 -9.22316401858209 912400 COC1=CC(=C(C=C1C(=O)NC2CCCCCC2)OC)OC 1 3.303 1 4 -11.1247675000964 912398 COC1=CC(=C(C=C1C(=O)NC2=NC=NN2)OC)OC 1 0.867 4 4 0 -11.8779759995032 912386 COC1=CC(=C(C=C1C2=NC(=NO2)C3=CC=NC=C3)OC)OC 1 1.945 3 4 0 1.74284049269944 912382 COC1=CC=CC(=C1OC)C(=O)NCCC2=CCCCC2 1 3.332 1 3 -12.7342684786539 912377 CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=C(C(=CC=C2)OC)OC 1 3.716 1 4 -8.65410985719673 912364 COC1=CC=CC(=C1OC)C2=NC(=NO2)C3=CC=CC=N3 1 2.39 3 3 4.8078864120112 912352 COC1=C(C=C(C=C1)C2=NOC(=N2)C3=C(C(=CC=C3)OC)OC)OC 1 3.079 2 5 0 3.90238354253085 912345 CC1(CC(CC(N1)(C)C)NC(=O)C2=C(C(=CC=C2)OC)OC)C 1 1.745 2 3 0 -14.4119794074172 912333 COC1=CC=CC(=C1OC)C(=O)NCC2=CC=CO2 1 1.77 1 4 0 -12.222614636192 912328 COC1=CC=CC(=C1OC)C(=O)NN2C=NN=C2 1 0.2 4 3 0 -8.68368960573891 912323 COC1=CC=CC(=C1OC)C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.356 1 5 -11.6669876723498 912304 CC1=CC(=CC=C1)CSC2=NC3=C(CN(CC3)C)C=C2C#N 1 3.999 3 0 -8.73844250175813 912284 CC(C)(C)C1=CC=C(C=C1)SCCC2=CN=CC=C2 1 4.526 1 0 3.61070856422686 912281 CCOP(=S)(OCC)OC1=C(C(=O)OC(=C1)C)Cl 1 1.902 0 5 0 -3.72286620941318 912279 CC1=C(C2=CC=CC=C2N1)C(=O)CNC3=NC=CS3 1 1.858 3 1 0 -2.0015332354392 912276 CCSC1=C(C=CC(=N1)C2=CN=CC=C2)C#N 1 2.784 3 0 -5.50947807894369 912255 CC1=CC(=NC(=N1)SC)SCC(=O)NN=CC2=CC=CC=C2 1 3.182 4 1 -10.5129153803983 912244 C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)O)N)C4=CC=CC=C4 1 4.375 2 2 -2.86144681440497 912237 CC1=NC(=C(C=C1)C#N)SCCN2CCCCC2 1 2.977 3 0 -6.12122492658298 912235 CN1C(=O)C2=C(N3C1=NN=C3)SC4=C2CCC4 1 1.392 4 1 0 -10.6608216708053 912223 CC(C)COC(=O)N1C2=CC=CC=C2N=C1SCC(=O)N 1 3.107 3 3 -9.44855105710311 912209 C1=CC(=CC(=C1)NC(=S)N)C2=NNC(=S)O2 1 2.793 4 1 -5.62618260282634 912166 CC(C)(C)NC1=NC(=NC(=N1)NC#N)SCC(=O)OC 1 1.293 6 2 0 -17.4784371781661 912163 CC1=C[N+](=CC=C1)C2=C(SC(=N2)[O-])C=NNC(=O)C3=CN=CC=C3 1 2.082 5 2 0 -13.3718964928921 912122 C1=COC(=C1)C2=NN=C(O2)SCC(=O)O 1 1.089 2 4 0 -11.6112957697895 911973 CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CSC3=CC=C(C=C3)C 1 4.785 0 4 1.14432374933895 911966 CCOC1=C(C=C(C=C1)CC(=O)NNC(=S)NC)Br 1 2.535 3 2 -11.5691479337723 911944 CC1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NC3=CC=CC=C3)C#N)N 1 4.48 3 1 -7.06977594567609 911925 CC(=C)CSC1=NC2=CC=CC=C2N1 1 3.492 2 0 -4.46889032860198 911911 CCOC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)OCC 1 4.489 2 2 -6.70274992957381 911886 C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC3=CC=CC=C3 1 5.199 2 0 -13.0493185340809 911874 CCNC1=NC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)NCC 1 0.62 7 2 0 -6.21298575646097 911870 CC1=CC2=C(C=C1)C(=CN2)C3=CSC(=N3)N 1 2.807 3 0 6.08113088894404 911793 C1CC1C(=O)C2=C(C(=C(S2)NC3=CC=CC=C3)C#N)N 1 3.088 3 1 -10.7215742167535 911789 C1COCCN1C(=S)SCCC(=O)O 1 1.622 1 3 0 -12.3813071296587 911756 CCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1 1 2.705 2 2 -24.013685669851 911753 CC1=CC=[N+](C=C1)C2=C(SC(=N2)[O-])C=NNC(=O)C3=CC=CC=C3 1 3.233 4 2 -11.9349285009699 911747 CC1(CC2=C(CO1)SC(=C2C#N)NC(=O)CC3=CC=CC=C3)C 1 2.854 2 2 -24.8892577453599 911733 CC1(CC2=C(CO1)C(=S)N(C(=C2C#N)N)C3=CC=CC=C3)C 1 2.978 3 1 -6.40779787214391 911732 CCC1=NC(=S)C2=C(N1)C3=CC=CC=C3CC24CCCC4 1 4.127 2 0 -6.40861217771743 911730 C1=C2C(=NC=C1Br)NC(=S)N2 1 2.201 3 0 -3.83083823674835 911710 COC1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=CC=CC=C4OC3=N 1 4.225 2 2 7.61443966772014 911706 C1CCC2=C(C1)N=C(S2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.613 2 2 -3.77934917408663 911698 CC1=NC2=C(C(=C1)C(F)(F)F)C(=C(S2)C(=O)NC3CC3)N 1 2.207 3 1 -5.29008719857724 911684 CC1=CC(=O)NC(=C1C#N)S 1 1.003 2 1 0 -5.80904305525388 911678 CC1(C(=NC(N1O)(C)C)C2=CC=CS2)C 1 1.909 2 1 0 0.743302120301153 911675 CCOP(=S)(OCC)OC1=CC(=O)OC(=C1)C 1 1.533 0 5 0 -4.48493098583358 911672 C1CN2C(=O)C=C(N=C2SC1)OCC(=O)C3=CC=CC=C3 1 2.462 2 3 -16.1828622009392 911641 CC1=CC(=O)NC(=C1C#N)SCC(=O)O 1 0.666 2 3 0 -16.4397691429898 911605 C1COCCC1C2=CSC(=N2)N 1 0.72 2 1 0 -0.125565250141742 911600 CCN(CC)C1=NC(=O)N(C(=N1)N)CCSC(=S)N(C)C 1 2.787 6 1 0 -5.36244356247968 911578 C1=C2C(=NC=C1Br)N=CN2 1 1.138 3 0 0 -1.88880004260725 911562 CN1C(=O)C=C(NC1=O)C(=O)NN=CC2=CC=C(C=C2)F 1 0.483 4 3 0 -6.3482849291894 911538 C1=CC=C2C(=C1)C=CC3=C2N=C(N3)Cl 1 3.13 2 0 7.13068911518424 911496 CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC=CC=C2F)O 1 1.409 2 4 0 -9.81311317375977 911461 CCN1C(=O)N(C(=CC1(C)C)C)C2=CC=C(C=C2)Cl 1 3.221 2 1 -2.81664994012943 911451 CN1C2=CC=CC=C2N=C(C1=O)C3=C(C=CC(=C3)Br)N 1 2.715 3 1 -0.676703892644002 911446 CN1C(=O)C=C(NC1=O)C(=O)NN=CC2=CC=C(C=C2)Cl 1 0.942 4 3 0 -5.23816326406784 911428 CC(=NNC1=NCCN1)C2=CC(=C(C=C2)OC)Cl 1 1.722 4 1 0 -6.91331651267925 911422 C1CC2=C(C(=O)C1)N=C(N2O)C3=CC=CC=C3F 1 0.541 2 2 0 -1.74816887660365 911407 CC1=CC=CN2C1=NC(=C(C2=O)C=O)NC3=CC=CC=C3F 1 2.091 3 2 -8.52296110464122 911396 C1=CC=C2C(=C1)C(=O)C(=C(N2)O)C(=O)NN=CC3=CC(=CC=C3)F 1 2.671 3 3 -4.00929893262917 911367 CC12CC3(CN(C1)C(N(C2)C3)C4=CC=CC=C4F)C 1 3.085 2 0 -2.67876093009135 911360 CN1C2=C(C(=NC=C2)Cl)NC1=O 1 0.621 3 1 0 -2.40865189152101 911334 COC1=CC(=C(C=C1N)Br)Br 1 2.563 1 1 1.15635595795721 911309 CC1(CC2=C(C(=O)C1)C(=O)C=CN2C3=CC=CC4=CC=CC=C43)C 1 3.49 1 2 -7.78542604254142 911287 C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(Cl)Cl 1 4.38 3 2 7.30280454166683 911250 C1=CC=C2C(=C1)C(=O)C(=C(N2)O)C(=O)NNC(=O)CCl 1 0.522 3 4 0 -9.86254761380751 911234 CC1=NC2=CC=CC=C2N=C1NC3=CC(=CC=C3)Cl 1 3.693 3 0 5.02505477853349 911226 CC1=NC(=C(N1CC(=O)C2=CC=CC=C2)Br)[N+](=O)[O-] 1 2.441 3 3 -4.65455585151407 911208 C1=C2C(=NC=C1Cl)N=C(N2)C(F)(F)F 1 2.403 3 0 0.560905992478919 911195 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)Cl 1 2.383 4 0 -3.89820305787184 911150 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)F 1 3.336 1 3 -8.5517223653646 911126 C/C(=C/C(=O)O)/C=C/C1=CC=C(O1)Cl 1 2.696 0 3 2.4789442898961 911108 C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CO2)Cl 1 1.931 2 3 0 -6.48733805695907 911093 CC(C)COC(=O)NC1=CC=C(C=C1)C(=O)O 1 2.415 1 4 -6.33099882258378 911086 CC1=CC(=NC(=N1)N(C)C(=O)C)OC 1 0.703 3 2 0 -6.8135423277681 911067 CN1C2=NC3=C(C(=O)N2C=N1)C4(CCCC4)CC5=CC=CC=C53 1 2.73 4 1 -6.40114402560144 911064 COC1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)CC(=O)OC 1 2.624 0 5 -6.80124216356319 911053 CN(C)CCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)N 1 1.879 6 0 0 -11.3097855509864 911052 COC(=O)CC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC4=CC=CC=C43 1 3.548 0 4 -4.64976780705008 911051 CN(C)C(=O)CCN1CCOCC1 1 -0.479 2 2 0 -8.08322897705077 911034 C1=CC=C2C(=C1)C=CC(=N2)CC3=NNC(=O)C4=CC=CC=C43 1 3.147 3 1 -7.12945843989522 911028 CON1C2=C(C3=NON=C3CC2)N=C1C4=CC=CC=C4 1 0.213 4 2 0 -0.82948097023695 911019 C1CC(=O)N(C1)CC(=O)NC2=CC=CC=C2 1 0.471 2 2 0 -17.4191803619962 911015 C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)C4=CC=C(C=C4)N)N)C#N 1 2.508 6 0 -8.42460204104581 911008 CC1=CC(=NC(=N1)N)N(C)N(C)C(=O)C 1 -0.436 5 1 0 -2.78497351244986 910992 C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)C(=O)N 1 0.756 2 5 0 -10.1207677127007 910973 C1=CC=C(C=C1)C2=C(C(=C(C#N)C#N)NC(=C2C#N)N)C#N 1 0.826 6 0 0 -2.23917918398301 910958 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(C=CC=N3)O 1 2.769 3 4 0 -0.525892796518723 910953 CCNC1=NC(=NC(=N1)OC2=CC=C(C=C2)N)NCC 1 1.692 6 1 0 -1.86247865555445 910952 CC1=NC2=CC=CC=C2N=C1OCC3=CC=CC=C3 1 3.683 2 1 0.421594263083953 910931 CC1=NN(C=C1N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O)C 1 1.533 4 2 0 -0.399242420620493 910923 CC(=O)C1CCN(CC1)CC2=CC=CC=C2 1 2.106 1 1 -0.173059402468488 910921 CC12CN3CCN(C1)CC(C3)(C2=NN)C 1 7.9e-002 4 0 0 -1.21395528553596 910908 CCNC1=NC(=NC(=N1)N(C)C#N)NC(C)C 1 0.731 7 0 0 -8.37006571076646 910902 CC1=CC=CN2C1=NC(=C(C2=O)C=O)NCC3=CC=CC=C3 1 1.615 3 2 0 -10.6426015319049 910892 CCC1=C2COC(CC2=C(C(=O)N1)C#N)(C)C 1 0.934 2 2 0 -10.3008527855646 910872 C=CCN1C=CC(=NC=C(C#N)C#N)C2=CC=CC=C21 1 2.162 4 0 -6.06148074911622 910870 CN1C=CC=C2C1=NC(=O)N2 1 -0.627 3 1 0 -7.53207833387577 910844 C1=CC(=CC=C1C2=CN=CN2)[N+](=O)[O-] 1 1.421 3 2 0 2.92228521754824 910814 C/C(=C/C(=O)O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-] 1 2.736 1 4 2.59009017931103e-003 910790 COC1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N 1 2.006 4 4 0 -6.47136362108129 910784 C1=CC=C(C=C1)C2=C(N(C(=N2)N)N)C3=CC=CC=C3 1 2.777 4 0 4.42693956757424 910781 CCC(=O)NC1=CC=C(C=C1)C=C(C(=O)C)C(=O)C 1 1.505 1 3 0 -2.6933791418229 910773 C1=CC=C(C=C1)/C=C/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=CC=C3 1 3.114 2 3 3.76387971470118 910763 C1CC2=C(C(=O)C1)N=C(N2O)C3=CC=C(C=C3)[N+](=O)[O-] 1 0.23 3 4 0 -2.60854142380927 910746 CC1=NC(=C(C(=O)N1)NC(=O)C)O 1 -1.483 3 3 0 -8.06645844463952 910745 C=CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(C=CC=N3)O 1 2.514 3 4 0 -4.36498191330083 910742 C1=CC(=CC(=C1)[N+](=O)[O-])N2C3=C(C=CC=N3)NC2=O 1 1.758 4 3 0 -5.36689507440054 910707 CC1=CC(=CC=C1)NN=C2COC(CC2=O)(C)C 1 2.371 2 2 -7.21496386725059 910705 C1CC2=NC(=CN2C1)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.28 3 2 -1.40785209558765 910704 C1=CC=C(C=C1)N2C(=CC(=O)N(C2=N)C3=CC=CC=C3)O 1 3.047 3 2 -1.13223135893433 910691 CC1=CC(=CC=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C 1 2.488 4 3 0 -6.20515642188893 910683 COC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CC4=CC=CC=C4 1 4.294 2 2 -8.30511076777328 910670 CC1=CC(=NC(=N1)C(=O)NN=C(C)C2=CC=C(C=C2)OC)C 1 1.535 4 2 0 -8.184937647422 910667 CN1C=NC(=C1OC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-] 1 2.949 3 3 2.57211026179808 910657 CC1=C(C(=CN1)C2=CC=CC=C2)C(=O)OC 1 2.443 1 2 -1.94126571794716 910651 CN1C(=CC(=O)C2=C1C=C(C=C2)N(C)C)O 1 2.168 2 2 -0.610194809531844 910639 CC1=CC=CN2C1=NC(=C(C2=O)C=NC)NC 1 0.292 4 1 0 -10.519140408211 910634 CCCC(=O)NC1=C(C2(CCCCC2)CC3=CC=CC=C31)C#N 1 4.14 2 1 -13.4279371354678 910632 CCOC(=O)/C(=C/N=C1C=CC(=CN1C)C)/C#N 1 0.632 3 2 0 -9.99481112423116 910610 CC(C)OC(=O)/C=C/C1=CC(=C(C=C1)OC(=O)OC)OC(=O)OC 1 3.701 0 8 0 -6.86803492208988 910585 CN(C)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)[O-] 1 1.983 2 1 0 -2.99672576038064 910578 CC1(CC2=C(C(=NC(=C2CO1)C3=CC=CC=C3)OC)C#N)C 1 3.489 2 2 -6.1860795694099 910570 CC1=CC2=C(C=C1)NC3=C2NC(=O)N(C3=O)N 1 1.143 4 2 0 -3.01108337822904 910567 C1=CC=C(C=C1)CN2C3=C(C=CC=N3)NC2=O 1 1.87 3 1 0 -3.41459171984316 910563 CC1=CC(=NC(=N1)ON=C(C)CC(C)C)C 1 2.447 3 1 -4.03781935884466 910559 CC(=O)NN1C=NC2=C(C1=O)C3(CCCCC3)CC4=CC=CC=C42 1 2.313 3 2 -6.80005766055588 910558 C1=CC(=CC=C1C#N)N2C(=O)[C@H]3[C@@H](C2=O)NN=C3C(=O)C4=NC=CN=C4 1 -0.273 6 3 0 -12.2402025709307 910535 COC1=CC=C(C=C1)C2=CN=C3N2CCCCC3 1 3.145 2 1 2.27348383156142 910534 CCN(CCC(=O)O)C1=CC=CC=C1 1 2.07 1 2 -7.96956377696999 910524 C1=CC=C2C=C(C(=CC2=C1)C(=O)NN=CC3=CN=CC=C3)O 1 2.199 3 2 0.814032623773256 910462 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)NN=CC3=CC=CS3 1 3.265 3 2 -4.2468384269253 910458 CC1=CC(=NC2=CC=CC=C12)N3CCCC3 1 3.044 2 0 4.15377364469146 910456 CC1=CC(=NC2=CC=CC=C12)NC3=CC(=CC=C3)OC 1 3.938 2 1 9.92565287907907 910453 CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)NN=CC3=CC(=CC=C3)O 1 3.069 3 3 -0.798326842733367 910447 CCC1=NC(=C(C(=C1)C)O)CC 1 2.822 1 1 -1.49590108986168 910424 CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC3=C2NC=C3 1 3.139 4 1 -2.94435602679973 910422 CN1C=C(C2=CC=CC=C21)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.077 4 3 0 -6.7709535337544 910414 C1=CC=C2C(=C1)C(=CN2)C(=O)NN=CC3=CC(=CS3)Br 1 3.678 3 1 2.27535276169771 910410 CC1=CC(=NN1C(=O)C2=CC=C(C=C2)OC)C 1 2.34 2 2 -6.49338562977704 910289 CC(=O)NC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.264 2 2 -13.3994051052457 910281 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NC3=NC=CS3 1 2.355 2 2 -3.71369306864433 910270 C1CCN(C1)C(=O)COC2=CC=CC=C2 1 1.54 1 2 0 -6.39804392627758 910146 C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.427 3 3 -12.3396192585517 910181 C1COCCN1/C=C(\C#N)/C(=O)N 1 -1.151 3 2 0 -9.78785820585357 910172 C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=CC(=O)O3 1 3.466 0 3 -3.89231481644311 910148 COC1=CC=C(C=C1)NN=C(C#N)C(=O)N 1 0.911 4 2 0 -0.630525347559866 910122 CC1=CC(=NC(=N1)C(=O)NN=C(C)C2=CC=CC=C2)C 1 1.551 4 1 0 -8.56761900578721 910076 CC(C)CC1=NC2=NNC(=C2C3=C1COC(C3)(C)C)N 1 2.152 4 1 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CC1=CC(=CC(=O)N1)NCCC2=CC(=C(C=C2)OC)OC 1 1.296 2 3 0 -11.8545496315006 906212 C1=CC=C(C=C1)/C=C/CN2C3=CC=CC=C3N=C2CO 1 3.191 2 1 2.58689121018276 906089 C1=COC(=C1)C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3 1 2.727 0 5 -7.98945063666862 906031 CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)O)C 1 3.216 0 5 -9.56343173097022 905953 COC(=O)C1=NOC(=C1)C2=CC=CC=C2 1 2.377 1 3 -1.42466959830183 905918 C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C3=CC=CO3 1 2.424 2 5 0 -9.46172402196573 905875 CC1=CC(=O)OC2=C1C=C(C=C2)OCC(=O)NC3=CC=C(C=C3)OC 1 2.949 1 5 -8.59867280868994 905591 COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)OC)OC 1 2.463 3 3 0.360021498543061 905543 CC1=CC(=O)C2=C(N1CC(=O)NC)C(=CC=C2)OC 1 1.123 2 3 0 -8.46334422676124 905512 CC1(C2=C(C[C@@H]3N1C(=O)CN(C3=O)CC=C)C4=CC=CC=C4N2)C 1 2.109 3 2 -9.54618067354785 905408 C1CC2=CC=CC=C2C(=NNC(=O)CC3=CC=CC4=CC=CC=C43)C1 1 4.388 2 1 -7.31871858365257 905111 COC1=CC=CC=C1NC(=O)NCCC2=CNC3=CC=CC=C32 1 3.128 3 2 -13.9198977627643 905027 C1[C@H]([C@@H](O[C@@H]1N2C=NC3=C2NC=NC3=O)CO)O 1 -1.482 4 4 0 -7.90797133956481 904970 C1CNCC2=C1NC3=C2C=C(C=C3)Cl 1 2.405 2 0 3.54233982161291 904939 CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(C)C 1 3.489 2 0 3.36864185412907 904872 C1CCC(CC1)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.312 3 2 0 -11.7034685039987 904817 COC1=CC=C(C=C1)NC(=O)N2C[C@@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 1 1.014 3 3 0 -7.61450309731535 904808 CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C3=CC=CC=C3)OCC(=O)N 1 2.587 1 5 -8.11517030201282 904801 CCC(=O)C1=C(C=CC2=C1OC(=O)C=C2C)OC(=O)CC 1 3.187 0 5 -8.54281043614412 904800 CCC(=O)C1=C(C=CC2=C1OC(=O)C=C2C)OCC3=CC=CC=C3 1 4.32 0 4 -6.39063424467112 904749 C1=CC=C(C(=C1)C(=O)NC(=O)/C=C/C2=CC(=C(C=C2)O)O)O 1 2.228 1 5 2.78109175820259 904627 C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)C(=S)NC2=CC=CC=C2 1 4.498 2 1 -6.84379718468827 904602 CC(C)C12CN3CC(C1O)(CN(C2)C3C4=CC=CC=C4)C(C)C 1 3.328 2 1 -1.85657541395876 904276 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32 1 1.737 2 3 0 -13.9695681717287 904232 C1=CC(=CC(=C1)Br)CNN2C=NN=C2 1 1.239 4 0 0 -0.918760978662148 904186 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=CC=C2)C(C)(C)C 1 3.289 2 2 -3.34700716109248 904181 CCOC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=CC=C3 1 2.794 2 3 -12.7657115628313 904172 CC(C)N(C(C)C)C(=O)C1=C(C2=C(S1)C=C(C=C2)[N+](=O)[O-])Cl 1 4.408 2 3 -2.32711081569503 904171 COC1=CC=CC=C1NC2=NC3=NONC3=NC2=O 1 0.413 5 3 0 -3.94760386049803 904164 C1CCSC(=NC1)NC2=CC=CC=C2 1 2.873 2 0 -7.49557335561266 904146 CC1=CC=C(O1)C(=NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C 1 3.133 2 3 -7.41552912469699 904130 CC1=CC(=C(C=C1)N2C(=O)CC3=C(C2=O)C=C(C=C3)OC)C 1 3.429 1 3 -2.7106792725854 904120 CCOC1=CC=C(C=C1)C=NNC(=O)C2=CC3=CC=CC=C3C=C2OC 1 3.907 2 3 -5.33853910169483 904111 CC(C)(C)C(=NOC(=O)NC1=CC=C(C=C1)Cl)CN2C=NC=N2 1 3.051 5 2 0 -6.6384428674043 904093 CC1=C(C=NN1)N=CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.91 4 2 0 1.46885511587637 904087 C1=CC(=CC(=C1)Br)C=NC2=CC=CC3=C2C=CC=N3 1 4.361 2 0 9.34555407827763 904070 CC(=O)NC1=C(N=C(S1)N)C2=CC=CC=C2 1 1.272 3 1 0 2.00928018722743 904052 COC1=C(C=C(C=C1)C=NOC(=O)NC2=CC=CC=C2)[N+](=O)[O-] 1 2.93 3 5 0 -2.87239015009808 904050 CC1=CC=C(C=C1)C(=NOC(=O)NC2=CC=CC=C2)C 1 3.519 2 2 -0.147289760345042 904035 CC1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2C(=O)OC 1 3.349 1 3 -11.8161872277751 904031 CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=N2 1 2.225 2 2 -7.32553196751089 904024 CC1=CC=CC(=C1)C2=CSC(=C2C(=O)OC(C)C)N 1 3.456 1 2 5.07501929163314 904015 CN1C=C(C=N1)C(=O)NC2=CC(=C(C=C2)F)F 1 1.675 3 1 0 -4.86062396566871 904010 C1CCCC(=NNS(=O)(=O)C2=CC=C(C=C2)Cl)CC1 1 3.231 2 2 -3.80538452983493 904001 CCOC1=C(C(=CC(=C1)C=NO)Cl)OCC 1 2.985 1 3 -2.48461492092863 903998 C1=CC=C(C=C1)CC(=O)NC2=C(C=CC=N2)Cl 1 2.702 2 1 -5.01047654749214 903997 CCN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-] 1 1.722 4 5 0 -12.6087434839139 903992 CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(CCC3)C=C2)[N+](=O)[O-] 1 4.052 2 3 -12.2660199197418 903991 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(CCC3)C=C2 1 4.052 2 3 -9.3066788374192 903966 CC(C)CC(=O)NN1CCCCC1 1 1.379 2 1 0 -8.12502818581826 903952 CC(C)OC1=C(C=CC(=C1)/C=C/2\C(=O)OC(=N2)C3=CC=CS3)OC 1 3.959 1 4 -14.5768728940389 903944 CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=NCCS2 1 3.97 2 1 -7.96424716197271 903936 CC(=NNC(=O)C1=CC(=CC=C1)F)CN2C=NC(=N2)[N+](=O)[O-] 1 1.092 6 3 0 -10.0092466960639 903933 C1CCCC(=NNC(=O)COC2=CC=C(C=C2)Cl)CCC1 1 3.82 2 2 -6.37673655215189 903926 CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.328 4 2 0 -2.26921633678871 903923 CC1=CC(=NO1)NC(=O)C2=C(OC=C2)C 1 1.002 2 3 0 -12.0987359029374 903906 C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F 1 3.332 1 3 -6.14068785911297 903895 C1CCN(C1)C(=O)C2=CC(=CC=C2)COC3=CC=CC4=CC=CC=C43 1 4.18 1 2 -4.61168335628169 903862 COC1=C(C=C(C=C1)CC(=O)NC2=CC3=C(CCC3)C=C2)OC 1 3.673 1 3 -12.744591911379 903854 CCCN(CCC)C(=O)C1=CC=CC=C1C(=O)N(CCC)CCC 1 4.148 2 2 -8.29673836545932 903841 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=NC=C4 1 4.083 3 1 -1.25768608160537 903830 CC1=NN(C=C1CNC(=O)C2=CC(=CC=C2)Br)C 1 2.302 3 1 -6.60391015906257 903828 CC1=CC=C(O1)C(=O)NCC2=CC=C(C=C2)OC 1 2.145 1 3 -5.96713082950433 903827 C1=CC=C2C(=C1)C=C(O2)C(=O)NN=CC3=COC4=CC=CC=C4C3=O 1 2.689 2 4 -0.283131828654652 903825 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(N=CC=C3)Cl)C(=O)N 1 2.509 3 2 -9.06015545497171 903821 CC1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C 1 5.032 2 1 -7.76818205191642 903799 C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=CC=C(C=C3)Cl 1 2.127 4 1 0.77712281895917 903798 CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.481 4 1 0 -1.09002697593655 903758 C1=CC(=C(N=C1)Cl)C(=O)NCC2=CC=CS2 1 2.084 2 1 -8.2092501430105 903714 CC1=CC=C(O1)C(=O)NCC2=CN=CC=C2 1 1.011 2 2 0 -8.0770540207695 903699 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=CO2)C(=O)N(C)C 1 1.843 2 5 0 -16.3595917666555 903686 CC1=CC=C(O1)C(=O)NCC2=CC=CC=N2 1 1.226 2 2 0 -7.75891821380796 903679 CCC1=C(SC(=C1C(=O)N)NC(=O)CCC2=CC=C(C=C2)OC)C 1 2.965 2 3 -9.87840485550256 903671 CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C(=C(C=C3)OC)OC)C 1 3.378 1 4 -9.35088443175236 903669 CC1(C(C1(C)C)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3)C 1 2.134 2 2 -8.48787293905947 903664 C1=CSC(=C1)/C=C/C(=O)NC2=CC=NC=C2 1 1.885 2 1 0 -6.36744199480248 903655 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 2.941 2 5 0 -7.81544204226236 903642 CC1=C(SC(=N1)NC(=O)C2=C(N=CC=C2)Cl)C(=O)C 1 1.648 3 2 0 -5.932858416549 903641 CCSC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)C 1 2.71 3 2 -12.2454427524205 903638 CC1=C(SC(=C1C(=O)OC(C)C)N)C(=O)OC(C)C 1 2.81 1 4 -4.49476572114623 903616 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC(C)C 1 1.418 3 2 0 -18.9632338615798 903610 CC1=C(C(=NN1CC2=CC=C(O2)C(=O)N3C=CC=N3)C)Br 1 2.811 4 2 -3.12109885731101 903599 CC1=CC=C(C=C1)/C=C/C(=O)NN2C=NN=C2 1 1.187 4 1 0 -4.9792324955659 903592 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CC(C)C 1 2.833 1 4 -17.9873021899061 903588 CC1=CC(=NO1)NC(=O)C2=C(C=NN2C)Cl 1 1.359 4 2 0 -12.6327992568309 903585 CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(OC=C2)C)C(=O)N)C 1 1.634 2 5 0 -13.2226249631147 903583 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)NC4=CC(=CC=C4)F 1 4.348 2 2 -2.071161309363 903579 CC1=C(C=CO1)C(=O)NC2=C(C(=CC=C2)Cl)Cl 1 3.192 1 2 -3.00863798794736 903564 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3CC3 1 2.074 2 2 -9.94686367731469 903550 CCC(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N 1 2.264 2 3 -17.7415860911434 903546 CC1=C(SC(=N1)NC(=O)C2CC2)C 1 1.133 2 1 0 -4.67032976013783 903545 CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC=CS2)C 1 3.567 1 3 -15.3818135411187 903533 COC1=CC=CC(=C1)C(=O)NN2CCOCC2 1 0.423 2 3 0 -8.64732544174146 903519 COC1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)Cl 1 3.753 1 2 -4.09986117837499 903516 CC1=CC=C(O1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C 1 2.306 2 4 -6.13480575234771 903511 CC1=C(SC(=N1)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C)C 1 3.25 3 2 -10.3818299744023 903500 CCN(CC)C(=O)C1=CC=C(O1)CN2C=C(C=N2)[N+](=O)[O-] 1 1.542 4 4 0 -12.4381212231918 903491 C1=CC=C(C(=C1)OCC2=CC=C(O2)C(=O)NC3=NC=CS3)Cl 1 3.316 2 3 -7.09349618071469 903488 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC=CS2 1 0.819 3 3 0 -12.6531791729834 903470 CN1CCN(CC1)NC(=O)C2=CC(=CC=C2)F 1 0.914 3 1 0 -2.75022187802189 903464 CC1=C(C(=NN1CC(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-])Cl 1 2.647 4 3 0 -13.0879027171348 903440 COC(=O)NC1=CC2=C(C=C1)OCO2 1 1.361 1 4 0 -6.00673321628692 903428 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)OCO3 1 2.763 2 5 0 -10.1115493654466 903407 COC(=O)C1=C(C=CS1)NC(=O)CCC2CCCCC2 1 3.587 1 3 -13.172514419885 903405 CN1C=C(C(=N1)C(=O)N2CCC3=CC=CC=C32)Br 1 2.722 3 1 -8.78410996268262 903397 COC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 4.126 2 3 -4.03790105339117 903390 CC1=C(SC(=N1)NC(=O)C2CCCCC2)C 1 2.502 2 1 -1.27565115439808 903387 CC1=CN=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.307 2 1 -0.375092592710165 903382 CN1C=C(C(=N1)C(=O)NC2CCCCCC2)Br 1 3.179 3 1 -6.24527725849878 903371 CN1C(=C(C=N1)Cl)C(=O)NC2=CC=NC=C2 1 1.069 4 1 0 -4.07612918201991 903368 CCSC1=NN=C(S1)NC(=O)/C=C/C2=CC=CO2 1 2.383 3 2 -14.3888370111241 903366 CN1C=CC(=N1)C(=O)NC2=CC(=CC=C2)OC 1 1.676 3 2 0 -6.97524206641962 903365 CC1=CSC(=N1)NC(=O)CC2=CC=C(C=C2)Cl 1 2.593 2 1 -4.03461015667506 903362 CN1C=C(C(=N1)C(=O)NC2=NC=CS2)Br 1 1.438 4 1 0 -6.08772443063023 903361 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(O3)C 1 3.585 2 2 2.18628224149414 903355 CC1=CC=C(C=C1)/C=C/C(=O)N2CCC3=CC=CC=C3C2 1 3.856 1 1 -7.21189355888614 903334 CN1C=CC(=N1)C(=O)N2CCCC3=CC=CC=C32 1 2.429 3 1 -9.71483463284918 903329 CN1C(=C(C=N1)Cl)C(=O)NC2=CC(=CC=C2)Cl 1 2.884 3 1 -1.72609858049269 903308 CN1C(=C(C=N1)Br)C(=O)NC2CCCC2 1 2.129 3 1 -6.86347391095018 903304 CC1=C(SC2=C1C(=O)N(C=N2)C3=CC(=CC=C3)OC)C 1 2.934 2 2 -7.4124315166412 903295 CN1C(=CC=N1)C(=O)NC2=CC(=C(C=C2OC)Cl)OC 1 2.187 3 3 -15.4272921316661 903290 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2CC2 1 -4.1e-002 3 3 0 -11.9333110160151 903282 CC1=NC(=CC=C1)NC(=O)/C=C/C2=CC=CS2 1 2.707 2 1 -5.3260823920972 903280 CC1=CN=C(C=C1)NC(=O)CC2=CC=C(C=C2)Cl 1 3.188 2 1 -5.03394601381808 903277 CCOC1=CC=CC=C1NC(=O)C2=C(C=NN2C)Br 1 2.636 3 2 -8.29675860374873 903275 CC1=CC=C(C=C1)CNC(=O)CCC2=CC=CC=C2 1 3.598 1 1 -12.5683280004626 903260 CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3CC3)Cl 1 3.831 1 1 -0.727398271973104 903251 CCSC1=NN=C(S1)NC(=O)CCC2CCCCC2 1 3.684 3 1 -19.1007306024412 903245 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)NC4=CC=CC=C4F 1 4.348 2 2 -4.95788919349566 903243 CCC1=NN=C(S1)NC(=O)CCC2CCCCC2 1 3.18 3 1 -16.7364679436516 903240 C1=CC(=C(C(=C1)Cl)/C=C/C(=O)NC2=CC=NC=C2)Cl 1 3.26 2 1 -4.82130480850982 903215 CC1=NN=C(S1)NC(=O)CC2=CC=C(C=C2)OC 1 1.367 3 2 0 -12.0430443873748 903212 CC1=C(C=CO1)C(=O)NC2CCCCCCC2 1 3.058 1 2 -5.50705225425935 903195 CC1=C(SC(=C1C#N)NC(=O)C2CCCC2)C 1 2.917 2 1 -7.25079879096923 903183 CN1C(=C(C=N1)Br)C(=O)NC2CCCCCC2 1 3.042 3 1 -7.21794242511826 903179 CN1C=C(C(=N1)C(=O)NC2CCCCCC2)[N+](=O)[O-] 1 2.325 4 3 0 -8.60107460729032 903178 CN1C=C(C(=N1)C(=O)N2CCCCCC2)[N+](=O)[O-] 1 1.59 4 3 0 -7.63768140415362 903168 CCSC1=NN=C(S1)NC(=O)COC2=CC=C(C=C2)Cl 1 3.02 3 2 -13.0889874940575 903148 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC3CCCCC3 1 2.871 3 2 -19.7737376770854 903147 C1CN(CC2=CC=CC=C21)C(=O)CC3=CC=C(C=C3)Cl 1 3.601 1 1 -8.96424894551509 903146 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CC(C)C 1 2.916 2 2 -8.33264630016116 903133 COC(=O)C1=CC=CC=C1NC(=O)CCC2=CC=CC=C2 1 2.961 1 3 -14.5263503412679 903129 C1CSC(=N1)NC(=O)COC2=CC=CC=C2 1 1.937 2 2 0 -11.8037207860912 903118 COC1=CC=C(C=C1)CCNC(=O)C2CC2 1 2.019 1 2 -10.7707535493888 903101 C1CC1NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 2.086 2 3 -6.04555847909994 903095 CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 1.558 3 3 0 -15.1761698141038 903093 CC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C#N)C 1 5.091 2 1 -18.3753911977469 903091 CC1=CC(=NO1)NC(=O)CCC2CCCCC2 1 2.917 2 2 -17.7389375624426 903076 CC1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.666 2 3 -6.49282917525376 903073 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2CCCCCC2 1 2.188 4 3 0 -9.47343400372987 903070 CN1C(=C(C=N1)Cl)C(=O)NC2CCCC2 1 2.045 3 1 -6.46020984453895 903069 CN1C=C(C(=N1)C(=O)N2CCCCCC2)Br 1 2.444 3 1 -5.51007426104205 903067 CN1C(=C(C=N1)Br)C(=O)N2CCC3=CC=CC=C32 1 2.585 3 1 -9.94449211176466 903047 C1CCC(CC1)NC(=O)C(=C2CCCCC2)C#N 1 3.614 2 1 -7.51259362674397 903046 CC(=NNC(=O)C1=CC=C(C=C1)F)CN2C=NC(=N2)[N+](=O)[O-] 1 1.092 6 3 0 -10.121902783888 903044 CC(=NNC(=O)C1=CC=CC=C1F)CN2C=NC(=N2)[N+](=O)[O-] 1 1.092 6 3 0 -12.1976694798152 903039 C1CCCC(=C(C#N)C(=O)NC2CCCCC2)CC1 1 4.07 2 1 -7.51259362674397 903038 CC1=CC(=NN1CC(=NNC(=O)C2=C(C=C(C=C2)O)O)C)[N+](=O)[O-] 1 1.25 5 5 0 -7.63201421191782 903035 CC1=CC=C(C=C1)C=NNC(=O)C2=NN(C=C2Cl)C 1 2.912 4 1 -5.30400056704728 903032 C1=CC(=CC=C1CC(=O)NN=CC2=CC=NC=C2)F 1 1.773 3 1 0 -4.08979080113263 903030 CN1C=C(C(=N1)C(=O)NN=CC2=CC=NC=C2)[N+](=O)[O-] 1 0.505 6 3 0 -8.45438816287036 903028 COC1=C(C=C(C=C1)Cl)C(=O)NN=C2CCCC2 1 2.6 2 2 -6.77400241217935 903023 CC(C)C1=CC=C(C=C1)C=NNC(=O)C2=C(C=NN2C)Cl 1 3.483 4 1 -4.56583011629357 903019 CC1=CC(=NN1CC(=NNC(=O)C2=CC(=C(C=C2)O)OC)C)[N+](=O)[O-] 1 1.476 5 5 0 -12.6106118751983 903017 CC(=NNC(=O)C1=CNC2=CC=CC=C21)C3=CC=CC=N3 1 2.235 4 1 -2.85377765827607 903016 CC(=NNC(=O)C1=CC=CO1)C2=CC=C(S2)Br 1 2.58 2 2 -6.97861314632368 903013 CC1=CC=C(S1)C(=NNC(=O)CC2=CC=CC=C2)C 1 2.797 2 1 -7.40002021012535 903008 CN1C=C(C(=N1)C(=O)NN=CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-] 1 1.424 5 5 0 -9.94640345783715 903000 CC(=NNC(=O)CC1=CC=C(C=C1)F)C2=CC=C(C=C2)F 1 3.109 2 1 -6.0787290988112 902998 CC(=NNC(=O)C1=CC=NC=C1)CN2C=NC(=N2)[N+](=O)[O-] 1 -0.264 7 3 0 -11.648497646003 902996 C1=CC2=NN(N=C2C=C1)CC(=O)NN=CC3=CC=C(C=C3)F 1 2.506 5 1 -6.58353831795909 902991 CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1)C3=CN=CC=C3 1 2.421 3 1 -5.01914697549906 902989 CC(=NNC(=O)CC1=CC=CC2=CC=CC=C21)C3=CC=NC=C3 1 2.456 3 1 -6.23766850663667 902988 CC1=CC=CC=C1C(=O)NN=CC2=CC=NC=C2 1 2.018 3 1 -7.46680009817611 902973 CC(=NNC(=O)C1=CC=CC2=CC=CC=C21)C3=CN=CC=C3 1 2.421 3 1 -5.7176803384085 902972 CC(=NNC(=O)C1=CC=C(C=C1)C(C)(C)C)C2=CC=CC=N2 1 3.342 3 1 -3.15843835085674 902959 CC1=CC=CC(=C1)C(=O)NN=CC2=CC=CC=N2 1 2.447 3 1 -3.20041316900176 902953 CC1=CSC(=N1)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.788 3 3 0 -9.26479488753998 902950 C1CC1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 1 3.49 2 1 -12.3651062853693 902902 CC1=CC=CC(=C1)C(=O)NN=CC2=CC=NC=C2 1 2.018 3 1 -4.72790746381532 902909 CC(=NNC(=O)C1=CC=CC=C1)CN2C=NC(=N2)[N+](=O)[O-] 1 0.887 6 3 0 -11.6294273768626 902938 CC(C)C(=NNC(=O)C1=CC=C(O1)Br)C 1 2.082 2 2 -7.85554391467596 902934 CC(=NNC(=O)C1=CC=CC=C1)C2=CC3=C(C=C2)OCO3 1 2.432 2 3 -8.91541399965805 902933 CC1=CC=CC=C1C(=O)NN=CC2=CC=CC=N2 1 2.447 3 1 -6.01032457385017 902932 CC1=CC=CC=C1C(=O)NN=CC2=C(SC=C2)C 1 2.977 2 1 -7.78069172401261 902925 C1CSC(=N1)NC(=O)C2=CC(=CC=C2)Br 1 2.851 2 1 -10.9106682505831 902922 C1CC1C(=O)NN=CC2=CC=CC=N2 1 1.054 3 1 0 -4.84340717218014 902920 CC1=CC=C(O1)C(=NNC(=O)C2=CC=C(O2)Br)C 1 2.167 2 3 -5.1074556185413 902873 COC1=CC=CC=C1C(=O)NC2CCCCCCC2 1 3.792 1 2 -8.30608519674176 902872 C1CCCC(CCC1)NC(=O)C2=CC=C(C=C2)Br 1 4.557 1 1 -6.04896627286663 902868 CCC1=C(SC(=C1C#N)NC(=O)C2=CC=CO2)C 1 2.763 2 2 -11.4388088483821 902863 CC1=CC=C(C=C1)C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC=C(C=C3)C 1 4.299 3 2 -2.9372006020665 902853 CC1(COC(OC1)C2=COC3=CC=CC=C3C2=O)C 1 1.953 0 4 0 -3.06013541781509 902837 CN(C)/C=C\1/C(=O)C2=CC=CC=C2OC1=O 1 1.286 1 3 0 -3.11474726559362 902812 CN(C)C1=CC=C(C=C1)C(=O)OCC2=CC=CC(=C2)C(=O)OC 1 3.286 1 4 -8.36397012358511 902803 C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3 1 4.181 1 2 -5.0049118672107 902800 CCC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2Cl 1 3.72 1 3 -6.49030974935061 902797 C1=CC2=C(C(=C1)OCC3=CC=C(C=C3)Br)N=CC=C2 1 4.331 1 1 -3.22769129101778 902796 CC1=CC2=C(C=C1)NC(=O)C=C2C(=O)OCC(=O)C3=CC=C(C=C3)F 1 3.015 1 4 -12.7262105359569 902794 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OCC(=O)C3=CC=C(C=C3)F 1 4.059 1 3 -7.51618892711433 902793 C1=CC(=C(C=C1C(=O)COC(=O)C2=CC=NC=C2)Cl)Cl 1 3.119 1 3 -8.19696362552313 902789 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2N=CC=C3)Br 1 4.035 2 1 -5.12889715391944 902781 C1=CC=C2C=C(C=CC2=C1)C(=O)COC(=O)C3=CC=CO3 1 3.244 0 4 -5.23874133619445 902763 CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2OC 1 3.867 0 4 -10.3669834222701 902762 CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CS2 1 3.837 0 3 -11.2017607879451 902754 CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)Cl 1 3.053 1 3 -5.06246966884366 902750 CNC1=CC=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)F 1 2.955 1 3 -13.6123346581697 902728 COC1=CC=C(C=C1)CC(=O)OCC(=O)C2=CC=C(C=C2)OC 1 2.943 0 5 -10.2763911447142 902723 CC(=O)NC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2 1 2.97 1 4 -14.0351306069869 902717 CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=CC=C2Cl 1 2.726 1 4 -11.8078456837437 902715 CCC(=O)NC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=CC=C2)C 1 3.214 1 4 -16.8851733872051 902705 C1=CC=C(C=C1)C2=CC=CC=C2OC3=CC=C(C=C3)N 1 4.161 1 1 6.18421110819287 902704 C1=CC=C2C=C(C=CC2=C1)C(=O)COC(=O)C3=CC=CS3 1 3.803 0 3 -8.37227433550889 902694 C1=CC=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3C4=CC=CC=C4N=N3 1 4.535 5 1 -2.64765304888231 902687 COC1=CC=CC=C1OC(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 4.305 1 3 -8.27297150331488 902686 CC1=C(C=CC(=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)Cl)Cl 1 5.472 1 2 -6.15096731726374 902681 CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CCC(=O)O)C 1 2.552 2 4 -13.3988430633157 902680 CC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2NC(=O)CCC(=O)O)C 1 2.552 2 4 -14.7766916339022 902673 CC1=C(C(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3)C 1 3.766 2 3 -5.58198647615767 902659 C1=CC=C2C=C(C=CC2=C1)OC3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 4.478 1 3 2.38742437389737 902640 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)C2=CC=C(C=C2)N 1 2.089 2 5 0 -11.3897675015517 902637 CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2 1 3.196 1 3 -11.5379016519485 902631 C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C#N)N=N2 1 3.096 4 0 -2.12093537694807 902610 C1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 3.221 2 1 -7.09502033319505 902606 CC1=C(C=C(C=C1)S(=O)(=O)NC2CCCCCC2)C(=O)NC 1 2.749 2 3 -15.4015807787902 902601 CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)Cl 1 4.487 1 3 -11.7741087024686 902596 CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3 1 3.151 2 2 -12.405009374569 902588 C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)OC4=CC=CC(=C4C#N)C#N 1 4.559 4 1 6.21424904573401 902576 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C 1 3.781 2 1 -6.99556433326752 902569 COC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC(=O)C3=CC=CO3 1 3.425 1 5 -8.57784331188297 902563 CC1=CC=C(C=C1)C(=O)COC(=O)COC2=CC(=C(C=C2)C)C 1 4.235 0 4 -9.92305889102212 902558 CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2 1 3.196 1 3 -11.0691867095366 902549 CC1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)C3=CC=CC=C3 1 3.893 3 1 -9.46900965271769 902548 CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C2=O 1 2.206 1 4 -7.12973331543605 902528 CC1=CC=C(C=C1)C2=NN=NN2C3=CC=CC=C3C(=O)O 1 2.758 4 2 -8.67590781722371 902501 CCCN1C(=O)C2=CC=CC=C2N=N1 1 2.704 3 1 -18.2428205785692 902499 C1=CC=C2C(=C1)C=CC3=C2N(N=N3)O 1 0.126 3 1 0 1.49921570274862 902494 C1=CC=C(C=C1)C2=NN=NC3=CC=CC=C32 1 2.679 3 0 1.08861175970654 902493 C1=CC=C(C=C1)C2=NS(=O)(=O)C3=CC=CC=C32 1 2.816 1 2 -1.13377009726073 902491 C1=CC=C(C=C1)C2=NN=NC3=C2C=C(C=C3)Cl 1 3.343 3 0 4.49886037706082 902479 C1=CC=C(C=C1)NC(=O)C2=CSC=C2 1 2.276 1 1 -6.12089132184122 902475 C1=CC=C(C=C1)[C@H](CNC[C@@H](C2=CC=CC=C2)O)O 1 1.929 1 2 0 -0.628236096919274 902455 CC1=CC2=C(C=C1)OCC3=C2N=CC(=C3)C(=O)C4=C(C=CC(=C4)C)O 1 4.498 1 3 4.77263513957804 902454 CCOC(=O)COC1=C(C=C(C=C1)C)C2=CC=NO2 1 2.619 1 4 -7.85738058577951 902453 CCOC(=O)COC1=CC=CC=C1C2=CC=NO2 1 2.133 1 4 -8.23976922897607 902451 C1=CC=C(C(=C1)C(=O)CC2=NNN=N2)O 1 0.977 4 2 0 -0.933610600779525 902435 CC1=C(SC=C1)C=NNC(=O)C2=CC3=C(C=C2)OCO3 1 2.891 2 3 -6.59270264051457 902428 CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)NC(=O)C 1 2.714 1 4 -10.2701314317223 902420 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC=CS3)[N+](=O)[O-] 1 2.299 3 5 0 -9.2488356054693 902386 C1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NC3=CC=C(C=C3)F)C#N)N 1 4.199 3 1 -6.99689234934684 902385 C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)F)N)C#N 1 4.199 3 1 -6.35789892021084 902361 C1COCCN1CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N 1 3.412 3 1 -5.06274346705973 902328 CCN(C(=O)CN1CCCCC1)C2(C(=O)C3=CC=CC=C3C2=O)C 1 2.194 2 3 -5.88281075836211 902325 CC1(C(=O)C2=CC=CC=C2C1=O)N3CCCCC3 1 2.579 1 2 -2.79557314114457 902287 CC1=C(C(=NC2=C1C(=O)C3=CC=CC=C32)C)C#N 1 2.848 2 1 -0.911174536106614 902286 CC1=NC2=C(C=C1C#N)C(=O)C3=CC=CC=C32 1 2.362 2 1 0.302589322791271 902252 COC(=O)C1=NC2=CC=CC=C2S1 1 2.175 1 2 -2.32825916596586 902249 C1=CC=C(C=C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2 1 3.833 2 1 -2.77535253435309 902245 CCC1=CC2=C(S1)SC(=C2)C(=O)NC3=CC=C(C=C3)F 1 4.325 1 1 -2.49770384882999 902244 CCC1=CC2=C(S1)SC(=C2)C(=O)NC3=CC=C(C=C3)C 1 4.606 1 1 -3.20958087429525 902241 CCC1=CC2=C(S1)N=C(NC2=O)CC3=CC=CC=C3 1 3.127 2 1 -7.94458444272113 902237 C1=CC=C2C(=C1)N=C(O2)CC3=CC=C(C=C3)CC4=NC5=CC=CC=C5O4 1 4.8 2 2 -5.09961277409577e-002 902222 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC3=C2C4=CC=CC=C4C3=O)C 1 4.679 1 2 -3.6355600595819 902212 CC(C)C1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=CC=CC=C3 1 4.412 2 2 6.19765281662162 902210 C1C2=C(C3=C(O1)C=CC(=C3)Cl)N=CC(=C2)C(=O)C4=CC=CC=C4O 1 4.19 1 3 6.8693225049324 902208 CC1=CC2=C(C=C1)OC=C(C2=O)C3=NNN=N3 1 1.303 4 2 0 0.44156027360735 902207 CC1=C(C(=O)C2=C(O1)C=CC(=C2)Br)C3=NNN=N3 1 2.079 4 2 -0.215373517639691 902206 C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C3=NNN=N3 1 1.482 4 2 0 2.28704043597007 902199 CC1=C(C=CC=C1Cl)OC2=NC(=CC(=N2)OC)OC 1 4.328 2 3 -2.30370358772976 902198 COC1=CC(=NC(=N1)OC2=CC=CC=C2C=NO)OC 1 3.004 3 4 0 -0.218507328201062 902193 CC1=NC=CN1CCCN2C(=O)CNC2=S 1 0.204 4 1 0 -5.86460984881608 902188 COC1=CC=CC=C1C2=CC(=C(C(=O)O2)C#N)SC 1 2.14 1 3 -2.68279670895812 902184 COC1=CC=CC=C1/C=C\2/C(=O)C3=C(O2)C=CC=C3OC 1 3.103 0 4 -1.95461696859236 902178 COC1=CC(=C(C=C1)C(=O)CC2=CC3=C(C=C2)OCO3)O 1 2.778 0 5 2.78031048615733 902176 CC1=CC(=CC(=C1C(=O)CC2=CC=CC=C2)O)O 1 3.271 0 3 2.62950586482543 902169 CC(=CCC1=C(C=C(C(=C1)C(=O)C)O)O)C 1 2.942 0 3 -0.364593774300986 902168 CC(=CCC1=C(C(=C(C(=C1)C(=O)C)O)CC=C(C)C)O)C 1 4.799 0 3 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CN1C=NC(=C1SC2=CC=C(C=C2)Br)[N+](=O)[O-] 1 3.347 3 2 1.20970833094696 902017 CC1=CC=C(C=C1)SC2=C(C=CC=N2)N 1 3.076 2 0 -0.349899160157524 902015 CC1=CC(=CC=C1)SC2=NC=C(C=C2)[N+](=O)[O-] 1 3.717 2 2 -0.115879698310193 902014 CC1=CC=CC=C1SC2=NC=C(C=C2)[N+](=O)[O-] 1 3.717 2 2 -3.95455765864912 902012 CC(=O)NS(=O)(=O)C1=C(N=CC=C1)NC2=CC=C(C=C2)Cl 1 2.128 3 3 -5.80431386756832 902009 CCC(=O)NS(=O)(=O)C1=C(N=CC=C1)NC2=CC=C(C=C2)Cl 1 2.795 3 3 -5.95581932416129 902008 C1=CC(=CC(=C1)Cl)NC2=C(C=CC=N2)S(=O)(=O)N 1 2.138 3 2 -1.63964275213454 902007 C1=CC(=CC=C1NC2=C(C=NC=C2)S(=O)(=O)N)Cl 1 1.599 3 2 0 -1.47119389016029 902005 C1=CC(=CC(=C1)NC2=NC=C(C=C2)S(=O)(=O)N)C(F)(F)F 1 1.778 3 2 0 1.50493138664481 902004 C1=CC(=CC(=C1)SC2=C(C=CC=N2)O)C(F)(F)F 1 4.037 1 1 4.45110238781633 902001 COC(=O)C1=CN=C(C=C1)SCC2=CC=CC=C2 1 3.199 1 2 -8.63069997324888 902000 CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)N2CCCCC2 1 1.176 4 3 0 -11.451545137505 901999 C1=CC(=CC(=C1)S(=O)(=O)C2=C(C=CC=N2)N)C(F)(F)F 1 2.516 2 2 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3 0 -9.48050393589678 901883 C1=CC=C(C=C1)C=NNC(=O)CCC2=NC3=CC=CC=C3NC2=O 1 1.902 4 2 0 -19.2759068398583 901880 CC1=CC=C(C=C1)N2C(=NNC2=S)CN3C(=NC4=CC=CC=C43)C 1 3.998 5 0 -5.23175838030991 901836 CC1=CC(=CC=C1)COC2=NC=NC3=C2NC=N3 1 2.354 4 1 1.06422237847427 901832 COC1=CC=CC2=C1OC(=C2)C3=CC=CC=C3 1 3.926 0 2 6.49941659056328 901827 CC1=CC=C(C=C1)OC(=S)NC2=CC=C(C=C2)O 1 4.785 1 2 8.5971433860732e-004 901824 CC1=CC=C(C=C1)OC(=S)NC2=CC=C(C=C2)F 1 5.233 1 1 -1.16713737133529 901820 CC1=CC=C(C=C1)O/C=C\2/C3=CC=CC=C3C(=O)O2 1 3.124 0 3 0.343010921779252 901814 CC1=CC(=C(C=C1)O)C(=O)C2=CN=C3C(=C2)C(=NN3C4=CC=CC=C4)C 1 4.235 3 2 2.30269634563199 901807 CC1=CC=C(C=C1)C=NC2=C(N=CC=C2)N 1 2.554 3 0 4.46023967514459 901799 C1C(=NN(C1=O)C2=CC=CC=C2)NC3=CC=CC=C3 1 2.177 3 1 -3.53329018896373 901795 CC(C)CCN1C=C(C(=O)NC1=O)C(=O)C 1 0.465 2 3 0 -10.7687761754939 901771 CC(C)(C)N1C=NC(=C1N)C(=O)N 1 -0.337 4 1 0 -5.26887634261823 901758 CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN(C)C 1 -0.723 4 5 0 -11.3486001462099 901746 CC1=NC(=CC=C1)N2C=C(C(=O)NC2=O)C#N 1 0.281 4 2 0 -7.32443506842482 901745 CCN1C(=O)C(=C/C=C/C2=CC=CO2)C(=O)N(C1=S)CC 1 2.735 2 3 3.3522602128562 901743 CCO/C(=C\1/C(=O)OC(=N1)C2=CC=C(C=C2)Cl)/C 1 2.779 1 3 -1.88721222169854 901742 CC(=O)C1=CN(C(=O)N(C1=O)C)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.561 3 5 0 -12.0879941866919 901741 CCC1=C(C(=O)NC(=O)N1C2=CC=CC=C2)C#N 1 1.647 3 2 0 -4.89176014110009 901734 CC1=CC(=NC2=CC3=C(C=C12)N(CC3)C(=O)C)C 1 2.186 2 1 -5.31841347977822 901697 COC1=C(C=C(C=C1)C2=CNC(=O)NC2=O)OC 1 0.434 2 4 0 -9.24302739511828 901696 CC(C)(C)OC1=NC(=NC=C1C2=CC(=CC=C2)OC)OC(C)(C)C 1 4.443 2 3 4.2273334332848 901690 C1=CN=CC2=C1C3=CSC=C3N=C2 1 1.436 2 0 0 3.8102868766789 901687 C1=CC2=C(C3=CSC=C3C=N2)N=C1 1 1.864 2 0 0 2.97992132123342 901683 C1=CC2=C(C3=CSC=C3C=N2)[N+](=C1)[O-] 1 1.02 2 1 0 1.781409182226 901672 CC1=CC(=CC=C1)N2C(=NC3=C(C2=O)C=CS3)C 1 2.884 2 1 -3.98511874940756 901620 CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)SC=C3)C 1 3.051 2 1 -12.2773005274549 901619 CC1=CC(=CC=C1)N2C(=NC3=C(C2=O)SC=C3)C 1 3.051 2 1 -10.3935377428625 901616 CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=CS3)C 1 2.884 2 1 -6.93330963009532 901598 C1=CC=C(C=C1)COC2=COC(=CC2=O)CO 1 0.699 0 4 0 -1.6868409581122 901568 CC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Cl)SC=C2 1 3.229 2 1 -8.14270340960515 901567 CC1=NC2=C(C(=O)N1C3=CC=CC=C3Cl)SC=C2 1 3.229 2 1 -10.9537722585985 901566 CC1=NC2=C(C=CS2)C(=O)N1C3=CC(=CC=C3)Cl 1 3.062 2 1 -1.73428441615022 901565 CC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3Cl 1 3.062 2 1 -4.54535326514359 901547 CC1=CSC(=C1C2=C(SC=C2C)C(=O)O)C(=O)O 1 3.487 0 4 -3.8798935825953 901546 CC1=C(C(=CS1)C(=O)O)C2=C(SC=C2C(=O)O)C 1 2.223 0 4 -1.75261873242261 901526 CC1=C(SC=C1)C(=O)C2=C(C=CS2)C 1 4.113 0 1 -3.86591509976353 901515 C1=CC=C(C=C1)C(=O)NC2=CSC(=C2)Cl 1 2.735 1 1 -3.60945730069071 901496 C1CCN(CC1)S(=O)(=O)C2=CC(=C(S2)Cl)C(=O)O 1 1.739 1 4 0 -10.0218660004708 901491 CC(=O)NC1=C(C=CS1)/C=C/C(=O)OC 1 1.06 1 3 0 -6.31212061555954 901443 COC1=COC(=CC1=O)/C=C/C(=O)O 1 -0.183 0 5 0 -1.08616470607419 901441 CC1=CC2=C(S1)C(=C(S2)C(=O)O)C 1 3.198 0 2 -1.75828125133992 901433 C1=CN=C(N=C1)C2=CSC(=C2)[N+](=O)[O-] 1 1.352 3 2 0 3.45302234578401 901425 C1=C(OC(=C1)[N+](=O)[O-])C2=CC=NN2 1 1.497 3 3 0 -2.2834693042718 901387 C1C(=O)C(=C(O1)N)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.806 2 4 0 -2.18486424976329 901348 C1=CC=C(C=C1)C2=NN=C3N2C4=CC=CC=C4NC3=O 1 2.262 4 1 -3.63599152141007 901336 CC1=C(C2=C(N1O)C=C(C=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3 1 1.733 2 2 0 0.387132796001 901335 CC1=C(C2=C(N1O)C=C(C=C2)Cl)C(=O)N(C)C 1 8.5e-002 2 2 0 0.876750964574495 901334 CC1=C(C2=C(N1O)C=CC(=C2)Cl)C(=O)N(C)C 1 8.5e-002 2 2 0 1.08718973831593 901329 CC1=CC(=C(C=C1)NC(=O)NC2=CC(=CC=C2)Cl)C(=O)O 1 3.303 2 3 -4.10603103652675 901327 CN(C1=CC=CC=C1C(=O)O)C(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.687 2 3 -4.80652715946592 901321 C1=CC=C(C(=C1)C(=O)O)SCC(=O)NCC2=CC=C(C=C2)Cl 1 3.309 1 3 -12.4595723211536 901319 CC1=CC=C(C=C1)SC2=C(N(C3=CC=CC=C3C2=O)C)O 1 4.314 1 2 4.26755461235876 901318 CN1C2=CC=CC=C2C(=O)C(=C1O)OC3=CC=C(C=C3)OC 1 3.254 1 4 2.58240830544713 901317 CN1C2=CC=CC=C2C(=O)C(=C1O)OC3=CC=C(C=C3)Cl 1 3.934 1 3 4.96264977637765 901316 CN1C2=CC=CC=C2C(=O)C(=C1O)OC3=CC=C(C=C3)F 1 3.476 1 3 3.85252811125609 901301 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CCN(CC2)CCO 1 -7.e-003 4 3 0 -4.25691524656962 901298 CN1C=NC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 2.248 3 4 0 -4.82995450781263 901296 C1=CC(=CC(=C1)Cl)SC2=C(C=CC=N2)N 1 3.254 2 0 0.204898768789643 901295 C1=CC(=C(C=C1SC2=NC=C(C=C2)[N+](=O)[O-])Cl)Cl 1 4.56 2 2 -5.68862297679321e-002 901294 C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)N 1 3.254 2 0 1.47209953042929 901293 CN1C=NC(=C1S(=O)(=O)C2=CC(=CC=C2)Cl)[N+](=O)[O-] 1 2.248 3 4 0 -5.52473589209524 901292 CC1=C(C=CC(=C1)SC2=NC=C(C=C2)[N+](=O)[O-])Br 1 4.465 2 2 -0.692879064992249 901291 C1=CC(=C(N=C1)SC2=CC(=CC(=C2)Cl)Cl)N 1 3.919 2 0 -0.818640130867167 901289 C1=CC(=C(N=C1)SC2=CC(=C(C=C2Cl)Cl)Cl)N 1 4.583 2 0 -1.19956710443842 901288 C1=CC(=C(N=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-] 1 3.979 2 2 -1.78587610108652 901283 C1=CC=C(C(=C1)SC2=NC=C(C=C2)[N+](=O)[O-])Cl 1 3.895 2 2 -3.56108613877077 901282 CC1=CC(=CC=C1)SC2=C(N=CN2C)[N+](=O)[O-] 1 3.085 3 2 1.15770079735953 901278 CC1=CC(=NC=C1[N+](=O)[O-])SC2=NC=CN2C 1 2.352 4 2 -2.87799560596536 901275 CC1=CC=C(C=C1)SC2=C(N=CN2C)[N+](=O)[O-] 1 3.085 3 2 0.844369385461584 901273 CCCN1C(=NC(=C1SC2=CC=C(C=C2)F)[N+](=O)[O-])CC 1 4.605 3 2 0.31013689819363 901272 CCN1C(=NC(=C1SC2=CC=C(C=C2)F)[N+](=O)[O-])C 1 3.414 3 2 1.47073443499493 901270 CC1=CC=CC=C1SC2=NC=C(C=C2)N 1 3.076 2 0 -0.236940884982684 901269 CC(=O)NS(=O)(=O)C1=C(N=CC=C1)NC2=CC(=CC=C2)Cl 1 2.128 3 3 -4.58209627644188 901268 C1=CC(=CC(=C1)Cl)OC2=C(C=NC=C2)S(=O)(=O)N 1 1.609 2 3 0 -0.533506319204677 901267 CC1=CC(=CN=C1SC2=NC=CN2C)[N+](=O)[O-] 1 2.352 4 2 -2.67650781534888 901250 C1=CC=C(C=C1)CS(=O)(=O)CC(=O)NC2=CN=CC=C2 1 0.848 2 3 0 -7.83918798841604 901249 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC 1 2.848 2 3 -12.3640571593867 901231 CC1=CC(=NC(=N1)NC2=NNC(=N2)C3=CC=CC=C3Cl)C 1 2.92 6 0 0.726913009697155 901230 C/C=C/C1=CC(=C(C=C1)OCCN2CCC3=CC=CC=C3C2)OC 1 4.548 1 2 -4.20570977790608 901228 C1CN(CC2=CC=CC=C21)CCOC3=CC=C(C=C3)C#N 1 3.489 2 1 -2.6071501901204 901226 C1CN(CC2=CC=CC=C21)CCSC3=CC=CC=C3 1 4.168 1 0 -2.68192476348037 901225 CN1C=CN=C1SCC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N 1 1.785 7 1 0 -5.18707701485288 901224 COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC=CC=N3 1 1.893 7 1 0 -6.33005423720618 901216 CCOC1=C(C=C(C=C1)Cl)CSC2=NNC(=N2)C 1 3.493 3 1 -4.04988659561227 901215 CCOC1=C(C=C(C=C1)Cl)CSC2=NC=NN2 1 3.253 3 1 -8.221288248727 901214 COC1=C(C=C(C=C1)Cl)CSC2=NC=NN2 1 2.905 3 1 -7.68403164914423 901195 CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)O 1 4.117 1 2 0.235768940595572 901193 C1=CC=C(C=C1)C(=O)NCC2=CNC3=CC=CC=C32 1 2.915 2 1 -8.52226888801392 901192 CN1C2=CC=CC=C2C=C1C3=CC=CC=C3O 1 3.897 1 1 6.3301906116629 901191 COC1=CC=CC=C1C2=CC3=CC=CC=C3N2 1 3.916 1 1 6.27961149227045 901186 CN1C=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC 1 0.975 4 3 0 -25.1301138935247 901165 CC1=NC(=NC=C1)SCC(=O)NC2=CC=CC=C2C(=O)OC 1 1.888 3 3 0 -19.2108492553405 901111 C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)C4=NN=CS4)[N+](=O)[O-] 1 1.715 4 4 0 -4.35346601222434 901094 CC1=CC(=NC2=C1C=CC(=O)N2CC3=CC=C(C=C3)Cl)C 1 3.863 2 1 2.63178336555432 901093 CC1=CC(=NC2=C1C=CC(=O)N2CC3=CC(=CC=C3)Cl)C 1 3.863 2 1 2.66756796498236 901082 C1=CC=NC(=C1)NNC(=O)C2=CN=C(C=C2)Cl 1 1.748 4 1 0 -4.63244604533826 901081 C1=CC(=NC(=C1)Cl)NNC(=O)C2=CN=C(C=C2)Cl 1 1.984 4 1 0 -4.81104559336587 901078 C1=CC(=S)N(C=C1)CC(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.89 1 1 -4.6662962457119 901073 CSC1=NC=CC(=N1)OC2=CC=CC=C2Cl 1 3.877 2 1 -1.17839068327258 901072 C1=CN=C(N=C1)OC2=CC=C(C=C2)C#N 1 2.011 3 1 -2.34854555408391 901068 C1=CC=NC(=C1)C(=O)SC2=CC=C(C=C2)Cl 1 3.762 1 1 3.13838841214864 901058 C1=CC(=CC(=C1)NC(=O)OCC2=CC=NC=C2)C(F)(F)F 1 2.968 2 2 2.87360633450792 901057 C1=CC(=NC(=C1)Cl)NNS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.629 3 2 -2.73909616713874 901049 C1=CSC(=C1Cl)C(=O)OC2=CC(=CN=C2)Cl 1 3.393 1 2 -9.1184130469153 901046 C1=CC=C(C(=C1)CN2C=C(C=CC2=O)Cl)F 1 2.039 1 1 -2.18176637162133 901045 C1=CC(=CC=C1C(=O)CN2C=C(C=CC2=O)Cl)Cl 1 2.171 1 2 -3.67168093692551 901041 C1=CC(=CC=C1NNC2=C3C=CC(=CC3=NC=C2)Cl)Cl 1 4.917 3 0 2.79057270464244 901040 C1=CC=C(C(=C1)NNC2=C3C=CC(=CC3=NC=C2)Cl)Cl 1 4.917 3 0 2.05701571850395 901032 CSC1=NC=CC(=N1)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.03 4 0 4.24845873394663 901030 C1=CC=C(C(=C1)NC(=O)NCC2=CN=CC=C2)F 1 1.584 3 1 0 -9.49542101951386 901028 CC1=CC=CC=C1NC(=O)NCC2=CC=CC=N2 1 2.08 3 1 -10.5581456120186 901027 C1=CC(=CC(=C1)NC(=O)NNC2=NC(=CC=C2)Cl)C(F)(F)F 1 3.112 4 1 0.940561744956294 901026 CC1=CC=C(C=C1)NC(=O)NNC2=NC(=CC=C2)Cl 1 2.656 4 1 -3.00148371048902 901024 C1=CC(=NC(=C1)Cl)NNC(=O)NC2=CC=C(C=C2)Cl 1 2.834 4 1 -1.99561402142068 901023 C1=CC=C(C(=C1)NC(=O)NNC2=NC(=CC=C2)Cl)Cl 1 2.834 4 1 -5.04158149203518 901022 C1=CC(=NC(=C1)Cl)NNC(=O)NC2=CC=C(C=C2)F 1 2.375 4 1 -2.28960668502377 901021 C1=CC=C(C(=C1)NC(=O)NNC2=NC(=CC=C2)Cl)F 1 2.375 4 1 -5.48096790895652 901020 C1=CC=C(C=C1)NC(=O)NNC2=NC(=CC=C2)Cl 1 2.17 4 1 -3.25553207538715 901018 C1=CC=C(C=C1)NC(=O)NC2=C(N=C(C=C2)Cl)Cl 1 3.119 3 1 -6.55415371956267 901016 C1=CC=C(C(=C1)NC(=O)NC2=NC=C(C=C2)Cl)F 1 2.781 3 1 -3.11695849507537 901004 CN1C(=NN=N1)SCC(=O)NC2=C(C=CC=C2Cl)Cl 1 2.189 5 1 -18.5572389414631 900999 CN1C(=NN=N1)SCC2=CC=CC=C2[N+](=O)[O-] 1 1.701 5 2 0 -17.9867181439945 900993 COC(=O)CSC1=NC2=CC=CC=C2O1 1 2.146 1 3 -7.66360702907062 900989 C1=CC=C2C(=C1)C(=CC(=O)O2)OC(=O)C3=C(N=CC=C3)Cl 1 2.759 1 4 -3.12324773348718 900971 C1=CC(=CC=C1C(=O)CN2C(=O)C(=C(C=N2)Cl)Cl)Cl 1 2.558 2 2 3.72416746628806 900954 CSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3 1 4.557 2 0 2.39873265651184 900949 C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[N+](=O)[O-])N 1 3.086 2 2 3.56478884817007 900945 C1=CSC(=C1)C2=CC=NC3=NC=NN23 1 2.141 4 0 -7.31514269041448 900944 C1=CC(=CN=C1)C2=CC=NC3=NC=NN23 1 1.037 5 0 0 -5.7471850067228 900942 CC1=NN2C(=CC=NC2=C1C3=CC=CC=C3)C4=CN=CC=C4 1 2.7 4 0 -2.43018458150321 900934 COC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C3=CC=CC=C3 1 3.012 3 3 2.41050172481133 900933 CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C3=CC=CC=C3 1 3.515 3 2 2.82346793395547 900888 CC1=CN=C(S1)NC(=O)CSC(=S)N2CCOCC2 1 1.671 3 2 0 -12.3553167575014 900889 CC1=CN=C(S1)NC(=O)CSC2=CC=CC=C2 1 2.15 2 1 -6.14514329154068 900890 C1COCCN1C(=S)SCC(=O)NC2=NC=CS2 1 1.525 3 2 0 -13.7367036824055 900891 CC1=CSC(=NC(=O)C2=CC=CC=C2)N1C 1 2.224 2 1 -10.7575995748375 900895 C1=CC=C(C=C1)C2=NN3C(=CC=NC3=C2)C4=CC=CC=N4 1 3.274 4 0 0.803988808062534 900897 C1=CC=C(C=C1)/C=C\2/C(=NOC2=O)C3=CC=CC=C3 1 3.387 1 2 1.36009012139373 900899 C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)NCC(=O)O 1 2.088 4 3 0 -4.86258177244778 900932 C1=CC=C(C=C1)C2=CC=NC3=C(C(=NN23)CC#N)C#N 1 2.271 5 0 -2.84134646343444 900927 C1=CC(=CC=C1C(=O)C2=COC3=C2C=C(C=C3)O)Br 1 4.044 0 3 5.73318644076422 900926 C1=CC=C2C(=C1)C(=CC3=C2OC=C3C(=O)C4=CC=CO4)O 1 3.599 0 4 0.718490693013512 900925 CCC(=O)C1=COC2=C1C=C(C=C2)O 1 2.298 0 3 1.80904138987967 900922 C1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)Cl)C(=O)O 1 3.693 3 2 4.64546662454229 900914 CC1=NN2C(=CC=NC2=C1C3=CC=CC=C3)C4=CC=C(C=C4)Cl 1 4.515 3 0 2.26237123557176 900907 CC1=C(C(=O)OC2=C1C3=CC=CC=C3C=C2)C#N 1 3.093 1 2 -0.485968010834348 900901 C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)NC4=CC=CC=N4 1 3.572 5 1 1.15519123595179 900853 COC1=C(C=C(C=C1)/C=C/C(=O)O)Cl 1 2.575 0 3 -0.677536572417212 900844 COC1=C(C=CC(=C1)/C=C/C(=O)O)OCC2=CC=CC=C2C#N 1 3.357 1 4 -6.52069535402241 900837 C1=CC=C(C(=C1)COC2=CC=C(C=C2)/C=C/C(=O)O)C#N 1 3.373 1 3 -2.49970936416977 900828 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=C(C=CC(=C2)Cl)Cl 1 4.116 1 3 -1.28394063532061 900826 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=C(C(=CC=C2)Cl)Cl 1 4.116 1 3 -2.44679934884931 900814 CCOC1=C(C(=CC(=C1)C(=O)O)Cl)OC 1 2.44 0 4 -4.6107292327406 900808 COC1=C(C(=CC(=C1)C(=O)N)Br)OC 1 1.547 1 3 0 -4.38467333884978 900807 COC1=C(C(=CC(=C1)C(=O)N)Cl)OC 1 1.463 1 3 0 -4.12796265559493 900806 CCOC1=C(C(=CC(=C1)C(=O)N)Br)OC 1 1.896 1 3 0 -6.20185623922652 900804 CCOC1=C(C=C(C=C1Br)C(=O)N)OC 1 1.896 1 3 0 -6.23974905716242 900803 COC1=C(C=C(C=C1Br)C(=O)N)OCC2=CC=CC=C2 1 3.131 1 3 -5.20030898049213 900801 CCOC1=C(C(=CC(=C1)C(=O)N)Br)OCC 1 2.245 1 3 -7.24486005392141 900800 CC1=C(C=C(O1)C2=CC3=C(C=C2)OCCO3)C(=O)NCC(=O)O 1 1.364 1 6 0 -5.2011737782266 900796 CC1=C(C=C(O1)C2=CC(=C(C=C2)OC)OC)C(=O)O 1 2.486 0 5 1.31429277387845 900795 CC1=C(C=C(O1)C2=CC3=C(C=C2)OCCO3)C(=O)O 1 2.304 0 5 2.49682254503211 900788 CC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2SC 1 3.478 1 2 -10.0900205690383 900785 CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCCC2 1 2.038 2 3 -16.5735976046605 900782 C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 4.767 1 1 -6.66122864880287 900781 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 4.733 1 1 -5.99560335895443 900780 CSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C 1 1.169 2 3 0 -14.8981639284945 900767 CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)CN3CCOCC3 1 1.9 5 1 0 -12.8499829389008 900766 CN1C(=NN=C1SCC2=CC=CC=C2)CN3CCOCC3 1 2.021 4 1 -11.0390586940097 900761 C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)C3=CC=CC=N3 1 2.508 2 3 -11.0526533378229 900759 CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3 1 3.656 3 2 -12.3619319789347 900757 CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(N=N3)C 1 2.911 4 1 -4.75222870614985 900756 CNC(=O)C1=CC2=C(C=C1)N(N=N2)C 1 0.848 4 1 0 -6.90662012581497 900755 CCN(CC)C(=O)C1=CC2=C(C=C1)N(N=N2)C 1 1.752 4 1 0 -7.96672082036008 900752 COC1=CC(=C(C=C1)OC)N2CC3=CC=CC=C3C2 1 3.296 1 2 0.645375399499648 900751 CN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N(C)C)N=N1 1 2.587 5 1 -7.4135150847625 900747 CCC1=CC=CC2=C1N(C=C2C#N)CC(=O)NCC3=CC=CO3 1 2.975 3 2 -15.7889284026568 900745 CN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3)N=N1 1 2.425 4 1 -4.9088828445232 900744 CCC1=CC=CC2=C1N(C=C2C#N)CC(=O)N3CCOCC3 1 2.104 3 2 -11.3193374879467 900740 CN1C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N=N1 1 2.707 4 1 -7.12189453409274 900734 C1C/C(=C\C2=CC=C(C=C2)O)/C(=C(C1)C(=O)C(F)(F)F)O 1 3.781 0 3 -2.74745242304857 900732 CC1=NC2=C(S1)C=C(C=C2)NC(=O)N3CCOCC3 1 1.184 3 2 0 -7.07021309178769 900731 CC1=NC2=C(S1)C=C(C=C2)NC(=O)N(CC=C)CC=C 1 2.73 3 1 -9.58360629525787 900728 CC1=NC2=C(S1)C=C(C=C2)NC(=O)NC 1 1.29 3 1 0 -4.00295191760263 900727 CCOC(=O)N1CCN(CC1)C(=O)C2=NSN=C2 1 0.244 4 3 0 -9.16846035965566 900724 CN(C)C1=CC=C(C=C1)NC(=O)C2=NSN=C2 1 1.568 4 1 0 -10.1100490368711 900722 CCOC1=CC=C(C=C1)NC(=O)C2=NSN=C2 1 1.738 3 2 0 -8.62795201911063 900719 CC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 1 3.218 3 1 -1.36946357759279 900718 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)C 1 1.797 3 3 0 -5.65906733951872 900717 CC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCSCC3 1 2.021 2 1 -4.69881143889306 900716 CC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC 1 2.814 2 3 -7.54966778833657 900715 CC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)N(C)C 1 3.121 3 1 -7.57498939957556 900714 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=NC4=CC=CC=C4S3 1 2.752 4 1 -0.76745415217047 900713 CCOC(=O)N1CCN(CC1)C(=O)C2=NC3=CC=CC=C3S2 1 1.943 3 3 0 -4.03825022337907 900712 CN(C)C(=O)C1=NC2=CC=CC=C2S1 1 1.734 2 1 0 -3.08863979782331 900711 C1COCCN1C2=CC=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3 1 2.955 3 2 -3.24482624521382 900707 C1=CC=C(C=C1)CNC(=O)C2=NC3=CC=CC=C3S2 1 3.112 2 1 -6.07823262801833 900706 C1=CC=C(C=C1)NC(=O)C2=NC3=CC=CC=C3S2 1 3.105 2 1 -2.48151622928455 900703 CC1=CC=C(N1NC(=O)C2=CC(=CC=C2)Cl)C 1 2.918 2 1 -2.89647449401655 900702 C1=CC=C2C(=C1)N=NN2C3=C(C=C(C(=C3)C#N)C#N)O 1 2.733 5 1 -2.40567503917123 900700 COC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC=NN2)Cl 1 1.829 4 3 0 -16.3157773478799 900696 CCOC1=C(C=CC(=C1)/C=C/2\CCCC(=C2O)C(=O)C(F)(F)F)O 1 4.114 0 4 -4.19772649833101 900693 CC1=CC=CC=C1C(=O)NN2C(=CC=C2C)C 1 2.74 2 1 -8.49148068346864 900690 CC1=CC=C(N1NC(=O)C2=CC=CC=C2)C 1 2.254 2 1 -6.16503550567056 900687 CC1=CC=C(C=C1)S(=O)(=O)NN2C(=CC=C2C)C 1 2.443 2 2 -5.37409617059752 900681 CC1=CC=C(N1NC(=O)C2=CC=CC=C2O)C 1 2.012 2 2 -1.86239602491415 900676 CC1=CN=C(S1)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2 1 1.809 4 2 0 -14.1617763371735 900673 CCOC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2OC 1 2.64 1 4 -6.06241209718775 900672 CC1=CC=C(C=C1)SCCC(=O)NC2CC2 1 2.655 1 1 -7.98434497794232 900655 CC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.694 2 4 0 -8.48245106156026 900643 COC1=C(C(=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2)Cl)Cl 1 2.701 2 3 -5.83978179169944 900630 CC1=C(C=CC=C1NS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OC 1 2.642 1 5 -6.46695842055389 900603 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=CN3C 1 2.288 7 0 0 -3.15192007594864 900602 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=CC=N3 1 2.396 7 0 0 -4.19750307177716 900600 C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)N4C(=N3)N=CN4 1 0.353 8 1 0 -19.6083906943852 900596 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCCCCC3 1 2.975 6 0 0.565990705566422 900594 C1CCCN(CC1)CC2=NC(=NC(=N2)NC3=CC=CC=C3)N 1 2.489 6 0 0.409336567193073 900591 CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCCCCC3)C 1 3.461 6 0 -0.265070975561625 900582 C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CC3=CC=CS3 1 3.036 3 1 -15.0676661414449 900537 C1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3 1 3.079 2 3 -18.5141268181672 900532 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C)C 1 2.704 2 3 -10.5315943982767 900529 CC1CCN(CC1)C(=O)CCSC2=CC=C(C=C2)C 1 3.54 1 1 -9.37184937617529 900526 CN(C1=CC=C(C=C1)C(=O)NC2=CN=CC=C2)S(=O)(=O)C 1 0.581 3 3 0 -10.5773149101725 900524 CN(C1=CC=CC=C1C(=O)N)S(=O)(=O)C2=CC=CC=C2 1 1.525 2 3 0 -10.5392588960247 900521 CC1=CC=CC=C1CNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.694 2 4 0 -9.8026407891616 900514 COC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)SC 1 3.14 1 2 -3.8058601242429 900511 CN(C1=CC=C(C=C1)C(=O)NCC2=CC=NC=C2)S(=O)(=O)C 1 0.588 3 3 0 -13.3902332650235 900503 CN(C1=CC=C(C=C1)C(=O)NCC2=CC=CC=N2)S(=O)(=O)C 1 0.803 3 3 0 -15.0709824076952 900499 CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=CC(=CC=C2)F 1 1.791 2 3 0 -11.6890356505402 900495 CS(=O)(=O)NC1=CC=CC=C1C(=O)NCC2=CC=CO2 1 0.714 2 4 0 -15.4121501176184 900491 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C 1 1.53 2 3 0 -13.4620369993133 900483 CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C 1 2.15 2 2 -7.44394035653174 900431 CC1=CC(=C(N1C2CC2)C)/C=C\3/C(=O)N(C(=S)N3C)C 1 2.652 3 1 -6.69860760526035 900462 CCCN1N=C(N=N1)NC(=O)C2=CC=C(C=C2)F 1 2.269 5 1 -7.93619627170725 900457 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=C(C=CC=C3F)F 1 4.555 1 1 -8.55137274002161 900454 CCCN1N=C(N=N1)NC(=O)C2=CC=C(C=C2)OC 1 2.047 5 2 0 -9.06103950631665 900453 CC1=CC(=C(N1C2CCCC2)C)C=C3C(=O)N(C(=S)N(C3=O)C)C 1 3.168 3 2 -6.26966130858699 900447 CCCN1N=C(N=N1)NC(=S)NC(=O)CC 1 1.745 6 1 0 -10.0810548041394 900443 COC1=CC(=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)OC 1 2.992 1 3 -5.816954852939 900425 CC1=CC=C(O1)/C=C/2\C(=O)N(C(=O)N2)CC=C 1 1.1 2 3 0 -8.44731374866812 900415 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)NC(C)(C)C 1 1.859 4 1 0 -6.7268790265149 900413 C1CCN(C1)C(=O)CNS(=O)(=O)C2=CC=C(C=C2)F 1 0.673 2 3 0 -9.40497522634326 900396 CC1=NC2=C(O1)C=CC(=C2)NC(=O)N(CC=C)C3=CC=CC=C3 1 3.132 3 2 -7.53833868846317 900390 CC1=CC=C(C=C1)NCC2=CC=CC=C2OCC3=CC=CC=C3F 1 5.481 1 1 -2.21468573132997 900385 CC1=CC=C(C=C1)SCCC(=O)NC(C)(C)C 1 3.097 1 1 -10.4694267291634 900384 COC1=C(C(=CC(=C1)CO)Br)OCC(=O)O 1 1.422 0 5 0 -8.02524754612269 900368 CCOC1=C(C(=CC(=C1)CO)Br)OCC(=O)O 1 1.771 0 5 0 -9.53531593760602 900364 CC1=CC=C(C=C1)NCC2=CC(=C(C=C2)OC)Br 1 4.44 1 1 -1.42427182360435 900355 CN(C)C(=O)CSCC1=C(C=CC=C1Cl)Cl 1 2.973 1 1 -8.6022753476878 900338 CC1=C(C=CC(=C1)O)NC2=CC(=O)CC(C2)(C)C 1 2.948 1 2 -11.1882750534896 900330 CC1=CC(=C(C=C1)N/C=C/2\CCCCC2=O)C 1 3.539 1 1 -5.81074689963663 900325 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)F 1 0.832 2 3 0 -9.19142486487379 900317 CN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C 1 0.84 2 3 0 -15.3914562868119 900315 CSC1=CC=CC(=C1)NC(=O)CNS(=O)(=O)C2=CC=CC=C2 1 1.919 2 3 0 -8.7672142635971 900314 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=C(C=C(C=C2)F)F 1 1.788 2 3 0 -10.4622322481493 900303 CC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)C 1 1.599 2 3 0 -10.3674998061872 900289 COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)N2)C3=CC(=CC=C3)Cl)O 1 2.925 2 4 2.35531445682154 900288 CC1=NN2C(=C1)N=CC(=C2N)C3=CC=C(C=C3)Cl 1 2.361 4 0 0.350811234543202 900275 CCC1=CC=C(S1)/C=C\2/C(=O)N(C(=S)N2C)CC 1 3.686 2 1 -1.82318519133374 900263 C1=CSC(=C1)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=C(C=C3)F 1 2.685 2 2 -2.70303740642943 900257 COC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)SN=N3 1 4.523 4 1 -7.790641845077 900249 CCN(CC)C1=CC=C(O1)/C=C/2\C(=O)NC(=S)N(C2=O)C 1 2.348 3 3 -4.09256511251067 900247 CC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C)OC 1 2.439 2 3 -2.44320755154218 900240 CC1=CC=C(S1)C=C2C(=O)C3=CC=CC=C3C2=O 1 3.335 0 2 2.99914101763261 900236 COC1=C(C=C(C=C1)C=NNC(=S)N)OC(=O)C2=CC=CC=C2 1 3.215 3 3 -11.8991737928302 900229 CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C=NNC(=S)N 1 4.295 4 0 -3.08408435175938 900225 CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=NNC(=O)N)OC 1 2.71 3 4 0 -12.0284976944986 900218 C1=CC(=CC(=C1)Cl)COC2=CC=C(C=C2)C=NNC(=O)N 1 3.04 3 2 -3.148252630773 900215 CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)N)OC 1 3.701 3 3 -11.7023668922967 900205 COC1=CC=CC(=C1OCC2=CC(=CC=C2)Cl)C=NNC(=S)N 1 4.014 3 2 -1.23326665452342 900203 CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)N)OC 1 2.71 3 4 0 -12.6273383614745 900202 CCOC1=C(C=CC(=C1)C=NNC(=O)N)OC(=O)C2=CC=C(C=C2)C 1 3.059 3 4 0 -13.5204536335216 900200 COC1=CC=CC(=C1OCC2=CC=CC=C2Cl)C=NNC(=S)N 1 4.014 3 2 -2.98668948529016 900189 C1=CC(=CC=C1OC(=O)C2=CC3=NC=CN=C3C=C2)Cl 1 3.39 2 2 -3.22371826724862 900170 CC1=C(N2C=CC=CC2=N1)C(=O)NN=CC3=CC4=C(C=C3)OCO4 1 1.903 4 3 0 -6.79892099353082 900148 CN1C=C(C2=CC=CC=C21)C=NNC(=S)N 1 2.299 4 0 -1.17512503965634 900131 C1COCCN1C(=O)CCSC2=CC=C(C=C2)Cl 1 2.237 1 2 -6.42903753145963 900123 CC1=CC(=CC=C1)N2CC3=C(C2)C=C(C=C3)Br 1 4.563 1 0 3.09407555269778 900121 CC1=NC(=C(N1C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3)N 1 3.232 3 2 -2.90753157876551 900118 CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C=N2)CC3=CC=CC=C3 1 2.843 2 3 -10.5192260506511 900108 C1CC2=NC3=C(N2C1)C(=O)N(C=N3)CC(=O)NCC4=CC=CC=C4 1 1.039 5 2 0 -15.643902923435 900107 C1CC2=NC3=C(N2C1)C(=O)N(C=N3)CC(=O)N 1 -0.75 5 2 0 -7.77048453959263 900100 C1CC2=CC=CC=C2N3C(=NC4=CC=CC=C4C3=O)C1 1 3.393 2 1 -7.71415883663712 900091 CCOC(=O)CSC1=NC=CC(=C1C#N)N(C)C 1 1.857 3 2 0 -18.7846026661252 900089 CCOC(=O)CSC1=NC=NC2=C1N3CCCC3=C2C(=O)OCC 1 2.721 3 4 0 -14.5527362661771 900081 C1COCCN1C2=C3C(=NC=N2)OC4=CC=CC=C4C=N3 1 2.306 4 2 -0.315119327734909 900080 CC1=NC2=C(C(=N1)Cl)OCC(=O)N2CC(=O)N 1 -0.731 4 3 0 -7.3402522237472 900079 CCOC(=O)NC1=C(C(=O)C2=CC=CC=C2O1)C 1 2.628 1 4 -2.96918840242385 900078 CC1=NC2=C(C(=N1)Cl)OC3=C(N2)CCCC3=O 1 1.269 3 2 0 -9.51039662475764 900072 C1CCC(=NNC2=CC=CC=C2C(=O)O)CC1 1 2.803 2 2 -5.40000939283514 900065 C1CC2=NC3=C(C(=O)N2C1)SC(=C3)C4=CC=CC=C4 1 3.053 2 1 -6.30204603231279 900061 CC1=NC2=C(C(=O)N1N)SC(=C2)C3=CC=C(C=C3)OC 1 2.084 3 2 -5.0438965289061 900059 CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CO 1 2.421 0 4 0.888664453934608 900051 CC1=C(SC(=C1C(=O)O)N2C=CC=C2)C 1 2.754 1 2 -4.43463804895644 900048 C1CCC(=O)C(=NNC2=CC=C(C=C2)OCC3=CC=CC=C3)C1 1 4.16 2 2 -8.67706703273286 900047 CC1=C(C2=CC(=C(C=C2O1)C=NNC(=S)N)OC)C3=CC=CC=C3 1 3.75 3 2 -2.37333878888677 900044 CCOC(=O)C1=C(SC=C1NC(=O)C2=CC=C(C=C2)Cl)C 1 3.29 1 3 -6.82032574671304 900038 CCOC(=O)C1=C(OC2=CC(=C(C(=C21)O)O)SC3=CC=CC=C3)C 1 4.117 0 5 -1.91389131279249 900031 CC1=CC=C(C=C1)N(C2=CN(C3=CC=CC=C32)C(=O)C)C(=O)CCl 1 4.035 2 2 -1.23881725966211 900030 C1CC2=CC3=C(N2C1)C(=NC=N3)C4=CC=CC=C4 1 3.327 3 0 4.8469414415628 900026 CN(C)/C=C/1\C(=O)NC(=S)N1 1 -0.148 3 1 0 -8.36985448854573 900023 C/C(=C/C1=C(C2=C(O1)C=CC(=C2)O)[N+](=O)[O-])/N(C)C 1 2.599 2 4 4.3949414689969 900013 CC1=C(C2=C(O1)C=CC(=C2)OC)C(=O)C3=CC=CC=C3 1 3.666 0 3 -2.26030428012279 900011 C1CCC(=NNC2=C(C=C(C=C2)Br)C(=O)O)CC1 1 3.551 2 2 -4.39357211334454 899993 CC1=NC2=CC(=C(C=C2N=C1)Cl)Cl 1 2.905 2 0 3.11679103773508 899976 CC1=CC=C(C=C1)N2C(=C(C3=C2C=C(C=C3)O)[N+](=O)[O-])C 1 4.19 2 3 5.32393389691385 899970 CN(C)/C=C/C1=C(C2=C(O1)C=CC(=C2)O)[N+](=O)[O-] 1 2.086 2 4 6.33027231099918 899955 CCOC(=O)C1=C(NC(=C1O)C=C2C(=O)CCCC2=O)C 1 1.717 1 5 0 -6.19163994370871 899941 C1C(=O)N(C=NC=N1)C2=C(C=C(C=C2)Cl)Cl 1 2.102 3 1 0.982238492436558 899887 CC(=O)N1C(=C(N(C1=O)C)C2=CC=CC=C2)C3=CC=CC=C3 1 2.283 2 2 -3.91165031780116 899879 CCC1=NN(C(=C1C#N)N)C2=CC=CC=C2 1 2.262 4 0 -5.11156995109508 899873 C1CS(=O)(=O)C(S1(=O)=O)C2=CC=CC=C2 1 0.979 0 4 0 -2.04584572749571 899817 CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3 1 3.733 1 1 -2.09802453084614 899812 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3N 1 3.664 2 1 -5.8634692575704 899791 C1=CC=C(C=C1)C(=S)NC2=CC(=CC=C2)Br 1 4.734 1 0 0.961090785423747 899774 C1=CC=C(C=C1)NC(=O)C2=CC=CN2 1 1.999 2 1 0 -2.29214564599306 899773 CC1=CCN2C(=O)C3=CC=CC=C3C(=O)N2C1 1 1.186 2 2 0 -2.93147343518465 899772 CC1=CC(=NC2=CC=CC=C12)C(=O)C3=CC=CC=C3 1 4.335 1 1 0.195741043008023 899770 COC1=C(C(=C(C=C1)OC)[N+](=O)[O-])C(=O)N 1 0.693 2 5 0 -2.51147572782849 899749 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CN=CC=C2)C 1 2.81 3 1 -12.86948376913 899747 CC1=C(C=CC(=C1)C2=CC=C(O2)C=NN3C=NN=C3)Cl 1 3.4 4 1 6.520758834316 899745 CCCC1=NN(C2=C1NC(=NC2=O)C3=CC=CC=C3OCC)C 1 3.173 4 2 -6.21495024100525 899691 CN1C2=C(C(=O)N(C1=O)C)N3CCSC3=N2 1 0.802 4 2 0 -10.7513981133249 899680 CC1(CC2=CC=CC=C2C3=NN=C(N31)C4=CC=CO4)C 1 3.302 3 1 2.04414697293884 899668 C1CC(=O)N(C1)C2=CC(=CC=C2)Br 1 2.16 1 1 -6.95138819921542 899609 COC(=O)CC1=CC=C(C=C1)NC(=S)NC2CC2 1 2.892 2 2 -14.0923083771655 899614 CC1=CC(=C(C=C1)C)CC2=C(NC(=NC2=O)C)C 1 2.673 2 1 -6.26282108447059 899617 CC1=C(C(=O)N=C(N1)C)CC2=CC=CC=C2Cl 1 2.365 2 1 -7.387905866572 899633 CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C)C)NC1=O 1 2.876 3 3 -10.2911237333621 899590 CC(C)CNC(=S)NC1=CC=C(C=C1)CC(=O)OC 1 3.594 2 2 -14.4330512813146 899532 CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=CN3C)C 1 2.774 7 0 0 -3.98298175707668 899545 COC1=CC(=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)F)OC 1 4.589 2 2 -10.2964824475404 899550 CC1=CC=C(C=C1)NC=C2C(=O)CC(CC2=O)C3=CC=CC=C3Cl 1 4 1 2 -8.16830321143314 899587 CC(C)CCNC(=S)NC1=CC=C(C=C1)CC(=O)OC 1 3.983 2 2 -18.6046920073928 899585 C1CC(=CC(=O)C1)NNC(=O)C2=CC=CC=C2Br 1 1.901 2 2 0 -10.4297182469206 899584 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)O 1 2.685 2 3 -15.0296816808333 899578 COC1=CC=CC=C1NC(=S)NCCC2=CC=C(C=C2)F 1 4.606 2 1 -9.25951889091462 899577 CC1=CC(=C(C=C1)C)NC(=S)NCCC2=CC=C(C=C2)F 1 5.594 2 0 -7.50644582705441 899576 CC1=CC(=C(C=C1)C)N2C(=NNC2=S)CC3=CC=CS3 1 4.639 3 0 -6.83391564815055 899575 COC1=CC=CC=C1NC(=S)NNC(=O)C2=CC=CC=C2 1 3.257 3 2 -9.72579854284311 899574 CC1=CC(=C(C=C1)C)NC(=S)NCC2=CC=CC=C2OC 1 5.051 2 1 -10.2094073250483 899560 COC1=CC(=C(C=C1)OC)NC(=S)NCC2=CC=CC=C2OC 1 4.046 2 3 -10.5574680112867 899558 COC1=CC(=C(C=C1)OC)NC(=S)NCC2=CC(=CC=C2)OC 1 4.046 2 3 -9.42710682309355 899507 CCC(CC)NC(=O)C1=CC(=CC=C1)NC(=O)C(C)C 1 3.061 2 2 -16.9755663397649 899493 CC(C)CNC(=S)NC1CCCC1 1 3.251 2 0 -9.56092873736609 899492 C1CCC(C1)NC(=S)NCC2=CC=CC=C2Cl 1 4.307 2 0 -9.83691247848523 899491 C1CCCC(CC1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 3.531 3 2 -13.502168739564 899490 C1CCC(C1)NC(=S)NC2CC2 1 2.549 2 0 -6.46530822263794 899489 CC(C)CCNC(=S)NC1CCCC1 1 3.64 2 0 -13.7325694634443 899483 COC1=CC(=C(C=C1NC(=S)NC2CC2)OC)Cl 1 3.633 2 2 -12.6451550423965 899477 CC1=CC(=NC(=N1)NC2=NCCS2)C 1 1.538 4 0 0 -8.85589286872413 899473 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)N(C)C 1 4.103 4 1 -2.82720311619752 899472 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)N(C)C 1 4.103 4 1 -5.64349190967034 899467 CC1=CC(=NC(=N1)SCC(=O)NN2C=NN=C2)C 1 -6.6e-002 6 1 0 -12.4721974077931 899465 C1C(=O)N(C(=S)N1)C2=NC(=CS2)C3=CC=CC=C3 1 2.66 3 1 -2.61817642057777 899455 C1COCCN1C2=CC3=CC=CC=C3OC2=O 1 1.358 1 3 0 -2.77539484704656 899452 CCNC(=S)NC1=CC(=C(C=C1)C)Cl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l)Cl 1 2.85 3 0 3.73703430326909 899353 CC(=O)C1=CN(C(=O)N(C1=O)C)C 1 -0.91 2 3 0 -10.415039501784 899350 CCC1(CC2=CC=CC=C2C3=C1C(=O)NC(=S)N3)CC 1 3.761 2 1 -9.18351283698664 899349 CC(C)NC1=NC(=NC(=N1)N(C)N)NC(C)C 1 0.478 7 0 0 -6.49024989724637 899340 CC1=C(C=C2C(=C1)C(=C)N(C(=O)N2)C3=CC=CC=C3)C 1 3.703 2 1 2.26725970408112 899339 CC1=CC2=C(C=C1)NC(=O)N(C2=C)C3=CC=CC=C3 1 3.217 2 1 1.33091860160977 899317 C1CN=C(N1)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 0.988 5 2 0 -7.56844713598308 899309 C1CN(CCC12OCCO2)CCC3=CC=CC=C3 1 2.289 1 2 1.3844540235312 899295 CCC1=NN=C2N1C3=CC=CC=C3N=C2N(C)C 1 1.944 5 0 0 -7.44297180841392 899289 CC(C)C1=CC2=C(C=C1)OC=C(C2=O)C3=NNN=N3 1 2.011 4 2 0.500890913635636 899286 C1=CC=C(C(=C1)C(=O)N)N=CC2=CN=CC=C2 1 1.278 3 1 0 3.58970417893118 899276 CC1=CC2=C(N=C(N=C2O1)OC)C 1 1.486 2 2 0 -3.68294841868097 899273 C1=CC(=C(C=C1Cl)C2=CC=C(N2)C=O)Cl 1 4.113 1 1 5.38049165538167 899265 CCC(=O)C1=CC=C(C=C1)OC(=O)CC2=CC=C(C=C2)OC 1 3.687 0 4 -9.27338163582674 899258 COC(=O)CC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F 1 4.191 2 2 -13.1256524616099 899247 CC1=NN(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.161 2 4 -7.75985852042464 899246 CC1=CC=C(N1NC(=O)C2=CC=CC=C2Cl)C 1 2.918 2 1 -5.91326069716853 899245 C1COCCC1(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O 1 2.386 1 4 -12.3306980026348 899244 CC1=C(C=CC=C1Cl)NC(=S)NCCC2=CC=C(C=C2)F 1 5.773 2 0 -4.47186512822576 899243 CCOC1=C(C=C(C(=C1)C)S(=O)(=O)N2CCCCC2)C 1 3.168 1 3 -8.9758862280371 899231 COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCO 1 2.356 3 3 -13.5636836535992 899225 COC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)CC(=O)OC 1 3.969 2 3 -14.0817228473099 899224 COC(=O)CC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2Cl 1 4.65 2 2 -14.7844689394518 899219 CC1=CC(=O)N=C(N1)SCC(=O)NC2=NC=C(C=C2)Cl 1 1.657 4 2 0 -16.972660456225 899216 CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC(=CC=C2)OC 1 5.229 2 1 -5.49309707093868 899206 CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=O)N3CCOCC3 1 2.07 3 2 -3.50358513276008 899202 CC1=NN(C=C1)C(=O)C2=CC(=C(C=C2)OC)Br 1 2.942 2 2 -3.86632807835799 899197 COC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2 1 2.055 1 3 -10.3347030370417 899193 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3(CCCC3)C#N 1 3.932 2 2 -7.95351829589348 899185 CC1=NN=C2N1C3=CC=CC=C3N=C2NC4CCCC4 1 2.473 5 0 -6.4575308739267 899174 CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)CSC3=NC=CC(=N3)C 1 2.678 7 0 0 -5.93037924366014 899169 CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=C(C=CC(=C2)C)C 1 3.759 1 3 -4.83463126646282 899168 C1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CO3 1 1.414 3 5 0 -7.55347603446995 899162 CC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)OC 1 3.809 2 2 -7.98022060831472 899156 COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2CC3=CC=CC=C3 1 4.333 3 1 0.368225583657815 899146 CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=CC=NC=C3)C4=CC=NC=C4 1 2.932 4 1 -2.0414113466475 899145 CC1=CN(N=C1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=N4 1 4.489 4 1 3.42185822547958 899144 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NOC=C4 1 3.741 3 2 -5.70715331224442 899141 C1CCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl 1 4.502 2 1 -1.13884860922265 899136 CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCOCC3)C4=CC=NC=C4 1 2.4 3 2 -3.85509700300836 899135 C1=CC(=CN=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N 1 2.563 3 1 -0.34815640722589 899095 C1COCCC1(CNC(=O)C2=CC=CS2)C3=CC=CC=C3 1 2.716 1 2 -19.8502621547235 899074 CSC1=NC(=C2C3=C(CCC3)SC2=N1)N4CCOCC4 1 3.491 3 1 -6.42254516949106 899068 CC1(CC2=C(CO1)SC3=C2C(=S)NC(=N3)SC)C 1 3.255 2 1 -17.5734996497432 899046 CC(C)(C#CC1=CC=C(S1)C(=O)NCCC(=O)O)O 1 1.58 1 4 0 -14.7800409257469 899021 C1=CC=C(C=C1)CNC2=NNC(=S)N2C(=O)C3=CC=C(C=C3)F 1 3.671 4 1 -6.26569776365718 899020 C1=CC=C(C=C1)CNC2=NNC(=S)N2C(=O)C3=CC=C(C=C3)Cl 1 4.129 4 1 -5.15557609853561 899019 CN(C)CCNC(=O)C1=CC2=CC=CC=C2OC1=O 1 1.206 2 3 0 -11.3267122461136 899018 CCN1C(=C(C2=C1C=CC(=C2)OC)C(=O)NC3=CC=C(C=C3)OC)C 1 3.575 2 3 -3.89545041464463 899014 CC1=CC2=C(S1)N=CN(C2=O)C3=CC(=CC=C3)OC 1 2.448 2 2 -5.20800932258631 899013 COC1=CC=CC(=C1)N2C=NC3=C(C2=O)C4=C(S3)CCC4 1 3.23 2 2 -13.1811259181714 899012 CC(C)C1=CSC2=C1C(=O)N3CCCCCC3=N2 1 3.183 2 1 -7.06861189245342 899011 C1CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2C1 1 3.259 2 1 -1.85515708147581 899008 CC1=NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)O1 1 3.445 1 2 1.61758936797528 899002 COC1=CC=CC(=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4 1 3.774 2 2 -4.63635099024265 899001 CN(C1CCCCC1)C2=CNC(=O)NC2=O 1 0.617 3 2 0 -9.68418052602199 898994 CCOC1=CC=CC=C1NC(=S)NC(=O)C2CCCCC2 1 4.56 2 2 -8.24948684447541 898929 CCOC1=CC=CC(=C1)NC(=O)CC2=CC=CS2 1 2.935 1 2 -8.64198952088914 898934 C1=CC=C2C(=C1)N=CN2C(=O)CCCC(=O)N3C=NC4=CC=CC=C43 1 3.176 4 2 -6.3981529045544 898935 COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4 1 3.586 1 4 -5.46821278540396 898937 COCC1=NN=C(S1)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 0.98 4 4 0 -14.8673389169232 898939 CC1=CC=C(O1)/C=C/C(=O)NC2=NN=C(S2)C 1 1.357 3 2 0 -10.2369988914053 898944 CC1=CC=C(O1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC=C(O3)C 1 2.48 2 4 -3.41139861874863 898953 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)NC2CCCCC2 1 1.499 3 4 0 -13.7521123111037 898987 CC(C)NC1=NC(=NC(=N1)N2CCOCC2)SC 1 1.343 5 1 0 -6.31327309417452 898986 CC(C)NC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)N 1 0.196 6 2 0 -13.5297185132076 898985 CC(C)CNC1=NC(=S)N=C(N1)N(C)C 1 2.157 5 0 -5.39198386266856 898984 CCN(CC)C1=NC(=S)N=C(N1)NC(C)(C)C 1 2.594 5 0 -8.65775420560424 898982 C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=O)C(=N4)CCC(=O)O 1 1.948 4 3 0 -19.3749245071897 898979 CC1(CC2=C(CO1)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3)C 1 2.795 1 4 -22.5789905538268 898970 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-] 1 4.395 2 3 -4.22575647007686 898961 CC1=CC(=C2C(=C1)C(=NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C)C 1 5.183 3 2 -5.28237438296495 898958 CCC1=C(SC(=C1C(=O)N)NC(=O)OC)C 1 1.47 2 3 0 -6.17617517636335 898956 CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=C(OC=C3)C 1 2.781 1 4 -14.172610486373 898925 CC1=C(C=CC(=C1)N2C(=O)CCC2=O)NC(=O)C 1 0.596 2 3 0 -14.9065235026531 898924 CCN1CCN(CC1)C(=O)/C=C/C2=C(C=CC=C2Cl)F 1 2.887 2 1 -4.9716241281626 898907 C1CC1C(=O)NC2=C(C=C(C=C2)Cl)F 1 2.578 1 1 6.41068002357074e-002 898906 CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=NN=CS2 1 2.75 3 1 -6.95254211194133 898899 CC(=C)C(=O)NC1=NN=C(S1)C2=CC=CS2 1 2.446 3 1 -12.1371731659752 898897 C1=CC(=CC(=C1)Cl)/C=C/C(=O)NC2=CC=NC=C2 1 2.596 2 1 -1.06796576228567 898892 CC1=CC=C(O1)/C=C\2/C(=O)N(C(=S)N2C)C3=CC=CC=C3 1 3.689 2 2 -3.17028514540593 898886 CN1C(=CC(=O)N(C1=O)C)NC(=O)/C=C/C2=C(C=CC=C2Cl)F 1 2.203 3 3 -12.8306672584441 898875 C1=CC(=CC=C1CC(=O)NC2=NC=CC(=C2)Cl)Cl 1 3.366 2 1 -3.10748794637284 898839 C1=CC=C(C(=C1)C(=O)N)NC(=O)/C=C/C2=CC(=CC=C2)Cl 1 2.749 2 2 -3.55237077434164 898832 COC1=C(C=C(C=C1)CC(=O)NCC2=CC=CS2)OC 1 2.363 1 3 -15.857942671674 898831 C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CS3 1 3.569 3 2 -10.4438410337412 898819 COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=CC=C2)F 1 2.628 1 3 -7.82232245146954 898804 C1OC2=C(O1)C=C(C=C2)CNC(=O)/C=C/C3=C(C=CC=C3Cl)F 1 3.727 1 3 -8.36475889778693 898775 CC1=CC=C(C=C1)CNC(=O)/C=C/C2=C(C=CC=C2Cl)Cl 1 4.904 1 1 -6.09588994976715 898768 CC1=CC=C(O1)/C=C/C(=O)NC2=NC(=C(S2)C(=O)OC)C 1 2.049 2 4 -8.57918425542509 898756 CCOC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 3.502 1 3 -1.24785255062614 898753 CC1=CSC(=N1)NC(=O)C2=C(OC=C2)C 1 1.143 2 2 0 -4.56466588490678 898748 CC1=CC(=NC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C 1 2.54 2 3 -6.35303617916385 898744 CC1=CC(=NO1)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 2.885 2 2 -10.6995558898149 898727 CC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)C 1 3.308 1 2 -7.36215231666279 898721 CC1=C(C=C(C=C1)C(=O)NCCC2=CC(=CC=C2)Cl)[N+](=O)[O-] 1 3.987 2 3 -7.65331322809437 898717 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=C(C=C(C=C3)Cl)F 1 4.393 1 1 0.517545828055281 898712 C1=CC(=C(C=C1C=NO)Br)OCC(=O)O 1 1.87 1 4 0 -3.22328730474318 898709 CC1=CC=C(O1)/C=C/C(=O)NC2CCCCCCC2 1 3.817 1 2 -7.20107227918221 898682 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-] 1 1.818 3 5 0 -8.41873859730909 898681 CC1=CC(=C(C(=C1C)S(=O)(=O)NCC2=CC=CO2)C)C 1 3.451 1 3 -5.38596742740448 898678 CCC1=CC(=CC=C1)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 3.559 1 3 -8.41625575202113 898673 CCSC1=NN=C(S1)NC(=O)COC2=CC3=CC=CC=C3C=C2 1 3.264 3 2 -12.3644653264165 898663 C1=CSC(=C1)C2=CSC(=C2C(=O)N)N 1 1.343 2 1 0 1.3384575525977 898647 CCCN1C2=CC=CC=C2N=C1NC(=S)NC3=CC=CC=C3 1 5.029 4 0 -6.34227527004568 898637 CC1=C(C=CO1)C(=O)N2C3=CC=CC=C3N=N2 1 2.338 3 2 -2.33965902705207 898602 CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CN=CC=C2)C 1 2.464 2 3 -16.7370247269686 898598 CC1=C(C=CO1)C(=O)N2C=NC3=CC=CC=C32 1 2.249 2 2 -3.84712868587318 898597 C1=CC=C(C(=C1)C(=O)NCC2=CC=CS2)[N+](=O)[O-] 1 2.256 2 3 -14.2558405652946 898593 CC1=CC=C(C=C1)/C=C/C(=O)NC2=NOC(=C2)C 1 2.707 2 2 -12.7098511747355 898570 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCC2 1 3.001 2 3 -2.181394888203 898569 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)/C=C/C3=CC=CO3)C 1 3.708 2 2 1.98915776417518 898551 CCOC(=O)NC1=NC(=C(S1)C(=O)N(C)C)C 1 0.927 3 3 0 -9.63955248940252 898543 CC1=NC(=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.417 2 1 -1.10400761238949 898510 CC1=C(SC(=N1)NC(=O)C2=C(C=C(C=C2)OC)OC)C(=O)OC 1 2.008 2 5 0 -9.39490033950762 898495 C1=CC(=CC=C1CNC(=O)C2=NC=CN=C2)Cl 1 1.413 3 1 0 -8.83702666775709 898494 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=N2)C 1 1.455 4 4 0 -11.9392202753244 898477 COC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 3.153 1 3 -1.24085740980935 898470 C1COCCN1C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl 1 2.728 1 2 -5.39385342186616 898452 C1=CC(=C(C(=C1)Cl)/C=C/C(=O)NC2=CC=NC=C2)F 1 2.801 2 1 -5.39491981930448 898433 CC(C)CC(=O)NCC1=CC=C(C=C1)F 1 2.537 1 1 -11.1353580842149 898426 CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=NC=C2 1 3.332 2 1 -1.48662598309507 898415 C1CCC(CC1)NC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 4.413 3 1 -0.374661309304002 898411 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)F 1 2.67 2 2 -5.7619064271012 898410 CC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(C=C2)OC)[N+](=O)[O-] 1 3.469 2 4 -9.60798166385947 898406 CSC1=CC=CC=C1NC(=O)CC2=CC=C(C=C2)Br 1 3.939 1 1 -9.86823548431524 898403 CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCC4 1 3.937 2 1 -5.56320255179771 898402 C1CCCC(CC1)NC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.382 1 3 -11.4680734096281 898384 COC1=CC=C(C=C1)CCC(=O)N2CCC3=CC=CC=C32 1 3.369 1 2 -10.2956645811208 898381 C1=CSC(=C1)CNC(=O)C2=CC=NC=C2 1 1.21 2 1 0 -10.5932671144567 898366 C1=CC(=CC=C1S(=O)(=O)NC2=NC=CC(=C2)Cl)Cl 1 3.034 2 2 -1.97478604210312 898362 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3 1 3.205 2 2 -4.86380026191444 898352 C1=CSC(=C1)CNC(=O)/C=C/C2=CC=C(C=C2)F 1 3.034 1 1 -7.47572009017558 898346 COC(=O)C1=CC=C(C=C1)NC(=O)NC2CCCCC2 1 2.66 2 3 -9.59454031982618 898330 CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 4.841 2 2 -9.02340312721576 898321 COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)CNC3=S 1 2.643 3 2 -2.55662621340671 898261 CCOC1=CC=CC=C1C(=O)N2C(=CC(=N2)C)C 1 2.688 2 2 -9.65444940268157 898263 CC(=O)NC1=CC(=CC=C1)OCC(=O)NC2=CC=CC=C2 1 1.57 2 3 0 -8.27065558126026 898280 CC1=CC=C(O1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC 1 3.636 1 4 -14.2312387072217 898295 CC(=O)NC1=NN(C(=N1)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4 1 2.164 5 3 0 -5.55775623445214 898290 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)/C=C/C(=O)O 1 2.117 2 3 3.21474436284265 898288 CCN1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 1.912 3 3 0 -5.73586222842172 898255 CC(C)CC(=O)NC1=NC(=CC=C1)NC(=O)CC(C)C 1 2.748 3 2 -6.8470345374433 898228 CC1=CN=C(C=C1)NC(=O)/C=C/C2=CC=CO2 1 2.352 2 2 -6.2577912573921 898213 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCC3 1 3.395 2 1 -1.35317020354769 898201 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCC3=CC=C(C=C3)F 1 3.063 1 3 -6.29424186991119 898195 CCS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2F 1 1.554 2 2 0 -12.5302895747142 898185 CCC1=CC(=CC=C1)NC(=O)COC2=CC=CC=C2 1 3.392 1 2 -4.10196100592826 898165 COC1=CC=C(C=C1)/C=C/C(=O)N2CCCC3=CC=CC=C32 1 3.802 1 2 -3.88695605978232 898152 C1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC(=CC=C2)Cl 1 4.075 1 1 -3.72283265033595 898151 CC1=CC(=C(S1)NC(=O)CCCC(=O)O)C(=O)OC 1 1.039 1 5 0 -14.7089651156749 898137 C1=CC=C2C(=C1)NC(=N2)NC(=O)/C=C/C3=CC=C(C=C3)F 1 3.345 3 1 -0.633629210928045 898129 C1CN(C2=CC=CC=C21)C(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl 1 4.691 1 1 -4.03707223715463 898123 CC1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=CS2 1 3.315 1 1 -8.18759711564083 898115 COC1=CC=CC=C1NC(=O)CCC(=O)NC2=CC=CC=C2OC 1 1.917 2 4 0 -9.82413965393773 898107 C1=CC=C(C=C1)CC2=CC=C(C=C2)OCC(=O)C3=CC=C(C=C3)F 1 5.249 0 2 -3.57012325485172 898100 CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=NC=CC=N2 1 3.225 3 1 -2.68574816692168 898098 C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=NO)C(=O)O 1 2.853 1 4 -1.36748084653398 898096 CCSC1=NN=C(S1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.756 3 3 -15.3910159175747 898094 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NCC4=CC=CO4 1 3.889 2 2 -12.9717833027411 898091 CC1=CC(=C(C=C1)NC(=O)OC)NC(=O)OC 1 1.843 2 4 0 -6.10114200897515 898087 CCC1=CC(=CC=C1)NC(=O)NC2CCCCC2 1 3.747 2 1 -5.66001837190987 898085 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3F 1 1.201 4 1 0 -2.08463355930583 898084 C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=CC=CC=C3Cl 1 2.127 4 1 0.604591192119136 898080 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC=C2C(=O)O 1 1.914 1 6 0 -7.81082185064762 898064 CCOC1=C(C=CC(=C1)C=NO)OCC(=O)NC2=CC=CC(=C2)C 1 3.095 2 4 -6.03036695642737 898058 CC1=CC=C(O1)C(=O)NC2=C(SC=C2)C(=O)OC 1 1.964 1 4 0 -6.54810792623181 898057 CN1C(=CC(=O)N(C1=O)C)NC(=O)/C=C/C2=CC=CO2 1 0.729 3 4 0 -12.1651022868081 898028 C1=CC(=CC(=C1)Cl)/C=C/C(=O)NC2=NC=CC=N2 1 2.489 3 1 -2.36448217263706 898015 CCC1=CC(=CC=C1)NC(=O)C2CCCC2 1 3.563 1 1 1.75016865793438 898010 C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC(=CC=C3)Cl 1 3.336 3 1 0.283944485169069 898003 COCC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 1.644 4 4 0 -10.0499735955843 897980 COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2)NC=O 1 1.342 2 4 0 -7.33430695941626 897964 C1=CC(=CN=C1)CNC(=O)/C=C/C2=CC=CS2 1 1.892 2 1 0 -10.2623107629939 897960 COC(=O)NC1=NC2=C(S1)C=C(C=C2)Br 1 2.967 2 2 -0.167783231219658 897946 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)COC3=CC=CC=C3 1 3.087 2 2 2.84071766344498e-002 897940 CCSC1=NN=C(S1)NC(=O)C2=CC=C(O2)C 1 2.061 3 2 -12.5998351735979 897932 CC1=CC=C(O1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 1 2.093 2 4 -1.29649952852083 897931 C1=CC(=C(C(=C1)Cl)/C=C/C(=O)NC2=NNN=N2)F 1 2.322 5 1 -6.9816838032252 897929 C1=CC(=CC(=C1)Cl)/C=C/C(=O)NCC2=CC=NC=C2 1 2.603 2 1 -2.86655535431903 897912 C1CCC(C1)C(=O)NC2=CC(=CC=C2)Br 1 3.369 1 1 2.35954001387546 897909 CC1=CC=C(O1)/C=C/C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 4.183 1 3 -1.74968409933957 897906 CC1=C(C=C(C=C1)C(=O)COC2=CC=C(C=C2)C(=O)OC)C 1 3.897 0 4 -5.67544122866227 897880 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NC=CN=C2)C(=O)OC 1 1.016 3 5 0 -19.0517214463527 897877 COC1=CC=C(C=C1)CC(=O)NC2=C(SC=C2)C(=O)OC 1 2.441 1 4 -9.53750687757178 897873 CC(C)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)Cl 1 4.48 1 1 -4.82483904839143 897861 CC1=C(C=CO1)C(=O)NC2=C(C=CC=C2Cl)Cl 1 3.192 1 2 -1.28002379483064 897859 CC1=C(C=CC=C1Cl)NC(=O)NC2CCCCC2 1 3.955 2 1 -6.38066336424958 897854 CC1=CC=CC=C1C(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3C 1 3.16 2 2 -5.82586639644509 897852 COC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.292 2 4 -11.2368075784198 897845 C1CN(CCC1CC2=CC=CC=C2)C(=O)/C=C/C3=CC(=CC=C3)Cl 1 5.033 1 1 2.10964447912853 897833 CC1=CN=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.621 2 1 -3.77119785134315 897829 CC1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=CS2 1 3.529 1 1 -7.6420271360598 897797 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)F 1 1.201 4 1 0 -0.378149950471296 897776 CC1=CC=C(O1)C(=O)N2CCC3=CC=CC=C32 1 2.436 1 2 -8.18286938790631 897764 C1=CSC(=C1)CNC(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.493 1 1 -6.36559842505401 897753 CC1=C(C=CO1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.758 2 4 0 -5.06793253891554 897750 CC1=CC=C(O1)/C=C/C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.087 2 2 0.349532035348365 897741 COC1=CC=C(C=C1)CC(=O)OC2=CC=CC=C2[N+](=O)[O-] 1 3.174 1 5 -7.75036889885672 897716 C1CC1C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.267 2 3 -3.63443468492658 897696 CC(C)(C)CC1=NN=C(S1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.859 4 3 0 -14.0069375864648 897691 C1=CC(=CN=C1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl 1 3.26 2 1 -3.2779259866201 897678 CC(C)C1=NN=C(S1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.408 4 3 0 -15.5510628126559 897674 CCOC1=CC=C(C=C1)N2C(=O)CN(C2=S)C 1 2.584 2 2 -5.67607508888827 897639 CCN1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)F 1 2.223 2 1 -2.92958741559923 897624 COC(=O)C1=C(C=CS1)NC(=O)C2=CC=NC=C2 1 1.272 2 3 0 -9.46157340140861 897623 C1CN(CCN1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)Cl 1 3.917 2 1 0.863121578279898 897621 COC1=CC=C(C=C1)CCC(=O)NCC2=CC=CO2 1 2.277 1 3 -14.1847934258731 897603 COC1=CC=CC(=C1)C(=O)COC2=CC=CC=C2C3=CC=CC=C3 1 4.571 0 3 -2.70651968804461 897602 COC1=CC(=C(C=C1)C(=O)NC2=C(SC=C2)C(=O)OC)OC 1 2.39 1 5 -8.5170053327663 897595 CN(C1=NN=C(S1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3OC 1 3.203 3 2 -4.02498906073532 897579 CC1=CC(=NC=C1)NC(=O)C2=C(OC=C2)C 1 1.738 2 2 0 -2.06929397310403 897567 CCCC(=O)N1CCC(CC1)CC2=CC=CC=C2 1 3.36 1 1 -6.30639615102734 897543 C1=COC(=C1)CNC(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl 1 3.599 1 2 -6.52654400761443 897540 CC1=CN=C(S1)NC(=O)CC2=CC=C(C=C2)Br 1 2.54 2 1 -4.74859765471355 897526 CC1=CC(=C(C=C1)C)NC(=O)C2CCCC2 1 3.593 1 1 -0.239893364869668 897525 C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CO3 1 3.011 3 3 -9.4528407093618 897521 C1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)Br)F 1 3.476 2 1 -1.81770265477617 897519 C1=CSC(=C1)CNC(=O)C2=CC=C(O2)Br 1 2.324 1 2 -10.9085216873263 897512 CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=NNN=N2 1 2.647 5 1 -5.36806441947545 897509 C1=CC(=C(C=C1NC(=O)C2=NC=CN=C2)[N+](=O)[O-])Cl 1 1.3 4 3 0 -9.27617821551076 897495 CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)CC 1 1.294 1 4 0 -8.00209886764809 897479 CCOC1=CC=C(C=C1)C(=O)NCC2=CC=CS2 1 2.694 1 2 -10.9577386386592 897475 CC1=CC=C(C=C1)/C=C/C(=O)NC2=NCCS2 1 3.056 2 1 -10.542381311084 897460 CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C)C)C 1 2.849 2 2 -8.66199758639004 897458 CC1=CC(=C(C(=C1)C)NC(=O)C2=C(OC=C2)C)C 1 3.322 1 2 -3.35037554608019 897457 CC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)COC 1 0.206 4 3 0 -14.4721418072171 897439 CC1=C(C=CC(=C1)N2C(=O)CCC2=O)NC(=O)C3=CC=CS3 1 2.214 2 3 -15.3932325617295 897414 CC(C)CCNC(=O)C1=CC(=CC=C1)C(=O)NCCC(C)C 1 3.407 2 2 -12.9465837655732 897399 C1=CC=C(C=C1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F 1 4.073 2 2 0.501474390863711 897397 CC1=CC(=NO1)NC(=O)CCC2CCCC2 1 2.46 2 2 -17.3844690482746 897379 C1COCCN1C2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)Cl 1 3.163 2 2 -5.31350457585714 897377 C=CCN(CC=C)C(=O)C1=CC=NC=C1 1 1.327 2 1 0 -13.4206053558135 897375 CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)OC)OC)C(=O)N(C)C 1 1.567 3 4 0 -15.1266001742686 897374 CCOC(=O)NC1=C(C(=C(S1)C)C)C(=O)N 1 1.362 2 3 0 -7.8307392202146 897364 CC1=NN(C=C1CNC(=O)NC2=CC(=C(C=C2)Cl)Cl)C 1 2.791 4 1 -2.98844176537909 897344 COC1=C(C=C(C=C1)C(=O)NCC2=CC(=C(C=C2)Cl)Cl)OC 1 3.917 1 3 -10.3562573469617 897343 C1=CC(=CC=C1CNC(=O)NC2=CC=C(C=C2)Cl)F 1 3.399 2 1 -1.95917170458498 897342 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NOC(=C4)C 1 4.372 3 2 -13.2740668156214 897337 CC1=CC=C(O1)C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC=C(O3)C 1 2.408 3 4 0 -0.838452963539421 897306 CC1=CC=C(O1)C(=O)NC2=C(C=C(C=C2)F)F 1 2.566 1 2 -1.54551431894682 897305 C1=CSC(=C1)CNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.723 2 3 -10.2819949029981 897298 CC1=CC=C(C=C1)/C=C/C(=O)NC2=NC3=CC=CC=C3N2 1 3.625 3 1 -1.3455062363933 897293 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(C)C)C 1 3.31 2 1 -0.611262495203628 897291 CC1=NC(=NC2=C1C=C(C=C2)OC)SCC3=CC=CC=C3 1 4.3 2 1 -3.61743628353536 897290 CC(C)NC(=O)CCC1=CC=C(C=C1)OC 1 2.239 1 2 -16.1300907705537 897277 CC1=CC(=C(C=C1)NC(=O)NC2=CC=C(C=C2)Cl)Br 1 4.421 2 1 -2.66429318247866 897256 COC(=O)C1=CC=C(C=C1)OCC(=O)C2=CC=CC=C2 1 2.924 0 4 -6.71459653217282 897255 CC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)N 1 2.57 2 2 -6.45177091773756 897238 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC=O 1 -1.2e-002 2 3 0 -6.5240546156219 897237 CC1=C(C=CO1)C(=O)NC2=CC=CC=C2NC(=O)C3=C(OC=C3)C 1 1.897 2 4 0 -4.47741967133704 897223 CC(C)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)OC 1 3.799 1 2 -7.05980394812238 897217 CCC(=O)NC1=CC=CC=C1OC2=CC=CC=C2 1 3.177 1 2 -4.98471023515528 897205 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3 1 0.682 4 3 0 -11.8721945671452 897201 CCC1=CC(=CC=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 3.507 1 4 -7.22790704463028 897193 C1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 4.131 3 1 3.80206481967162 897192 CC1=CC=C(O1)/C=C/C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.398 1 4 -6.87507681674291 897188 CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)/C=C/C2=CC=CO2)C 1 3.477 1 4 -14.283614925317 897187 CC1=CC=C(O1)C(=O)NCC2=CC=CO2 1 1.344 1 3 0 -7.70765129490273 897174 C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC=NC=C3)C(=O)N 1 2.548 3 2 -12.4202332170453 897164 CCN1C=C(C(=N1)C)CN(C)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.471 4 3 0 -6.06518985543998 897154 CC1=C(C=C(C=C1)NC(=O)C2=C(OC=C2)C)C 1 2.836 1 2 -3.44812421344436 897142 CCC1=CC=CC=C1NC(=O)C2CCCC2 1 3.563 1 1 -0.581553354698446 897141 CCN1C=C(C=N1)CNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 1.982 4 3 0 -11.1517054976588 897134 C1=CN=C(N=C1)NC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl 1 3.153 3 1 -1.28951138628544 897121 COC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2N3CCOCC3 1 2.448 2 3 -7.54723769979566 897120 CC1=C(SC(=N1)NC(=O)C2=C(OC=C2)C)C(=O)OC 1 1.29 2 4 0 -8.68032057989533 897117 CC1=CC=C(O1)/C=C/C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.335 2 4 0 -10.8502189133577 897112 CC1=CC=C(C=C1)CNC(=O)C2=NC=CN=C2 1 1.235 3 1 0 -10.6590253583439 897103 CC1=CC=C(O1)C(=O)NC2=CC=NC=C2 1 1.004 2 2 0 -2.36318209822229 897100 C1COCCN1C2=CC=CC=C2NC(=O)/C=C/C3=CC=C(C=C3)Cl 1 3.596 2 2 -3.80790490619749 897087 COC1=C(C=CC(=C1)SC)C(=O)NC2=NOC=C2 1 2.133 2 3 -3.12393081416158 897084 C1=CC(=CN=C1)NC(=O)CCC(=O)NC2=CN=CC=C2 1 -0.351 4 2 0 -6.88916904752823 897082 CC1=C(SC(=N1)NC(=O)/C=C/C2=CC=C(C=C2)OC)C(=O)N(C)C 1 2.051 3 3 -9.59425551734329 897080 CC(=O)NC1=CC=CC=C1OC2=CC=CC=C2 1 2.51 1 2 -5.3841129439691 897075 CC1=CC(=NN1C(=O)C2=C(C=CC=C2OC)OC)C 1 2.323 2 3 -8.19353483775117 897065 CC(=O)NC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)F 1 1.775 2 3 0 -7.09047694911256 897039 C1=CC(=CC(=C1)Cl)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.452 2 3 -6.32107144978533 897033 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl 1 2.955 2 3 -2.67585981625031 897030 CC1=CC=C(O1)C(=O)NC2CCCCCC2 1 2.893 1 2 -4.89558641336526 897017 COC(=O)C1=C(C=CS1)NC(=O)C2=CC=CO2 1 1.818 1 4 0 -7.7410031665721 897016 C1OC2=C(O1)C=C(C=C2)C(=O)NCCC3=CC(=CC=C3)Cl 1 3.375 1 3 -6.21591213269199 897001 C1=CC=C(C=C1)C2=CC=CC=C2N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O 1 3.587 1 4 -6.9456462425071 896992 C1CCC(C1)NC(=O)CCCC(=O)NC2CCCC2 1 2.057 2 2 -11.4231227191211 896982 CC1=CC=C(O1)/C=C/C(=O)N2CCC3=CC=CC=C32 1 2.903 1 2 -4.84383778360055 896959 COC1=CC=CC(=C1)C(=O)COC2=CC=C(C=C2)C(=O)OC 1 2.908 0 5 -6.81720442340239 896958 CCSC1=NN=C(S1)NC(=O)NC2CCCCC2 1 2.71 4 1 -17.2465079263348 896937 C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=CC=CO3 1 0.858 4 2 0 -1.80686481361456 896934 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=C(SC=C3)C(=O)OC 1 2.969 2 4 -12.8594024953052 896933 C1COCCN1NS(=O)(=O)C2=CC=C(C=C2)Br 1 0.891 2 3 0 -5.67068385567476 896923 CC1=CC=C(O1)/C=C/C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC 1 3.192 1 4 -14.3723416098313 896899 CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(S3)Cl 1 4.138 2 1 2.25267921794687 896898 CCOC(=O)C1=C(N=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)F)C 1 3.063 2 3 -9.66108764347543 896871 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NN=CS3 1 1.635 4 2 0 -12.4228892556023 896865 COC1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 2.967 2 5 0 -11.2059923840252 896861 C1CCC(CC1)CCC(=O)NCC2=CC=CS2 1 3.525 1 1 -16.510816609185 896860 C1COCCN1C(=O)C2=CN=C(C=C2)C(=O)N3CCOCC3 1 -0.689 3 4 0 -13.2527830365746 896859 CCS(=O)(=O)NC1=CC=C(C=C1)C(=O)OC 1 0.945 1 4 0 -6.88316802767023 896853 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3 1 2.933 2 2 1.31868291424296 896852 CSC1=CC=C(C=C1)/C=C/C(=O)NC(=O)C2=CC=CC=C2O 1 3.254 1 3 1.95290593632387 896850 CN1C=C(C=N1)CNC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 2.435 3 2 -7.67234251947543 896849 CC1=CC=C(O1)/C=C/C(=O)NC2=NC(=CS2)C 1 1.902 2 2 0 -4.46352956043653 896842 CC1=C(C=C(C=C1)NC(=O)C2CCCC2)Cl 1 3.771 1 1 1.33267932929885 896836 C1=CC=C(C=C1)COC2=C(C3=CC=CC=C3C=C2)/C=C/[N+](=O)[O-] 1 4.285 1 3 9.2860946890199 896829 COC1=C(C=C(C=C1)CC(=O)NC2=C(SC=C2)C(=O)OC)OC 1 2.425 1 5 -13.514343597065 896826 CC1=NN=C(S1)NC(=O)/C=C/C2=CC=CO2 1 1.212 3 2 0 -10.8728194064795 896810 CC1=CC(=C(C=C1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])Br 1 3.778 2 3 -7.87825509659838 896808 C1=CC=C2C(=C1)NC(=N2)NC(=O)/C=C/C3=C(C=CC=C3Cl)F 1 4.009 3 1 -2.77306015001619 896784 C1=CC=C(C(=C1)C(=O)NC2=NOC=C2)Cl 1 2.272 2 2 -5.30653156606391 896779 CC(C)CNC(=O)/C=C/C1=CC=CS1 1 2.651 1 1 -9.07918731979621 896770 CC1=C(C=CO1)C(=O)NC2=CC=CC(=C2)C(=O)C 1 1.603 1 3 0 -5.58287672759156 896752 C1=CN=CC=C1CNC(=O)C2=NC=CN=C2 1 -0.402 4 1 0 -11.0638764148979 896750 CC1=CC(=NC(=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C 1 3.007 2 3 -5.3009598283712 896748 CCS(=O)(=O)NC1=CC=CC=C1C(=O)N 1 9.2e-002 2 3 0 -9.01148420242029 896736 C1=CSC(=C1)CNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.92 2 3 -8.94088644596976 896727 CC1=C(C=CO1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC 1 1.574 1 6 0 -8.22720223709246 896721 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)OCC 1 2.564 1 4 -11.5190043662959 896703 COC(=O)C1=C(C=CS1)NC(=O)CCC2CCCC2 1 3.131 1 3 -12.8180459057169 896698 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)OCO4 1 0.763 4 3 0 -3.05934389802652 896697 CC1=CC=C(O1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C 1 1.318 2 5 0 -10.7306961485698 896695 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CN=CC=C2)C(=O)OC 1 1.739 2 5 0 -17.6164711465542 896691 C1=CC=C(C=C1)NC(=O)NCC2=CC=C(C=C2)F 1 2.735 2 1 -3.93782453354515 896687 C1=CC=C(C(=C1)OCCN2C=CC=CC2=O)Cl 1 2.178 1 2 -2.84616958148744 896677 CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)CC2=CN(N=C2)C)C 1 2.639 3 2 -1.78865564436781 896676 C1=CC=C(C(=C1)/C=C/C(=O)NCC2=CC=CS2)Cl 1 3.493 1 1 -6.53813005189405 896671 CC1=CC=C(O1)C(=O)N2C(=CC(=N2)C)C 1 1.897 2 2 0 -5.78589158735674 896656 CC1=CC=C(O1)/C=C/C(=O)NC2=CC(=O)N(C(=O)N2C)C 1 0.874 3 4 0 -11.3409851774001 896649 CCOC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C 1 2.916 2 4 -4.93386451455937 896633 CC1=CC=C(O1)/C=C/C(=O)NC2=CC=NC=C2 1 1.472 2 2 0 -3.90523773826047 896631 CCS(=O)(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC 1 0.8 1 6 0 -13.2540674577443 896605 CC1=CC=C(O1)/C=C/C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC(C)C 1 3.623 1 4 -13.6477944102428 896600 CC1=C(C=CO1)C(=O)NCC2=CC=CC=N2 1 0.935 2 2 0 -8.62652249307346 896598 C1=CC(=CC(=C1)Cl)NC(=O)NCC2=CC=NC=C2 1 2.043 3 1 -2.26818261470763 896595 C1CN(CCC1NC(=O)C2=C(C=CC=C2F)F)CC3=CC=CC=C3 1 3.143 2 1 -2.99230292433965 896591 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)/C=C/[N+](=O)[O-] 1 4.557 2 2 9.11114963171798 896589 COC(=O)C1=C(C=CS1)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 3.555 1 3 -5.96571515709061 896583 CCOC(=O)NCC1=CC(=C(C=C1)Cl)Cl 1 3.278 1 2 -4.7043070673428 896582 CCN1CCN(CC1)C(=O)/C=C/C2=CC=C(O2)C 1 1.558 2 2 0 -3.48194204711858 896577 CC1=C(SC(=N1)NC(=O)/C=C/C2=CC=CO2)C 1 1.902 2 2 0 -5.108204384236 896558 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CS3 1 3.159 2 2 -9.34937839448595 896533 CC1=CC=C(O1)/C=C/C(=O)N2CCN(CC2)CC3=CC=CC=C3 1 2.793 2 2 -0.799354718361018 896529 CC(=C)C(=O)NC1=CC=CC(=C1)C(=O)C 1 1.834 1 2 0 -7.96345110705782 896527 CCOC1=CC=CC=C1C(=O)NC2=NNN=N2 1 1.317 5 2 0 -8.83047898516814 896525 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC3 1 2.666 2 2 -3.93373422697843 896524 CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.481 4 1 0 -2.90615880126895 896504 CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCC4 1 4.324 2 1 -4.47259306947225 896498 CCC1=NN=C(S1)NC(=O)/C=C/C2=CC=C(O2)C 1 2.024 3 2 -11.2004572429265 896488 C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 4.01 1 3 -6.62581624646472 896465 C1CCC(CC1)NC(=O)NC2=CC(=C(C=C2)F)F 1 3.215 2 1 -5.67352436557616 896463 CC1=CC(=C(N1C2=CC=CC=N2)C)/C=C/3\C(=O)NC(=O)N3 1 1.292 4 2 0 -10.4064014091432 896456 C1=COC(=C1)C(=O)NCC2=CC=C(C=C2)CNC(=O)C3=CC=CO3 1 2.203 2 4 -7.57337880291803 896453 COC(=O)C1=C(C=CS1)NC(=O)NC2CCCCC2 1 2.613 2 3 -12.3291283485104 896452 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CO3 1 1.579 2 4 0 -11.1267524648283 896438 C1=CC(=C(C(=C1)Cl)/C=C/C(=O)NC2=NC=CC=N2)F 1 2.694 3 1 -6.69143622965587 896410 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=NC=C3)C 1 2.695 3 1 1.89127776520348 896391 C1=COC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Br 1 3.383 2 2 0.139562773872623 896385 CCC(CC)C(=O)N1CCN(CC1)C2=CC=CC(=C2C)C 1 4.223 2 1 -0.222160743704269 896384 CCS(=O)(=O)NCCC1=CC(=C(C=C1)OC)OC 1 1.385 1 4 0 -8.89342118842385 896369 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C 1 1.603 2 4 0 -11.328455526305 896358 CC1=C(C=CC(=C1)C(=O)NCC2=CC=CS2)[N+](=O)[O-] 1 2.742 2 3 -14.2459283726079 896347 CC1=CC(=NC(=C1)NC(=O)/C=C/C2=CC=CO2)C 1 2.635 2 2 -4.15894301769895 896331 C1CSC(=N1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl 1 3.899 2 1 -9.5760933706922 896324 CC1=C(SC(=N1)NC(=O)C(Cl)Cl)C(=O)N(C)C 1 1.13 3 2 0 -8.38326569678329 896320 C1=CC=C(C(=C1)C(=O)NCC2=CC=CS2)F 1 2.567 1 1 -11.8379869462626 896309 C1CN(CCN(C1)C(=O)C2CC2)C(=O)C3CC3 1 0.374 2 2 0 -7.97151681944794 896307 C1CC1NC(=O)CC2=CC=C(C=C2)Cl 1 2.227 1 1 -5.93989140309622 896305 CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C)C 1 1.95 1 3 0 -13.8082402162715 896285 CC1=CC(=NC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C 1 3.33 3 3 -3.09413121028835 896279 C1COCCN1CCNC(=O)/C=C/C2=CC(=CC=C2)Cl 1 1.996 2 2 0 -5.8026693340838 896250 CC1=C(SC(=N1)NC(=O)C2=CC=C(O2)Br)C(=O)C 1 1.888 2 3 0 -8.53110741406666 896245 CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2N3CCOCC3)[N+](=O)[O-] 1 2.845 3 4 0 -10.9564244086666 896241 C1=CN(N=C1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.295 2 2 -2.35652459319521 896230 CCC(CC)C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 1 2.93 2 3 -4.93774700349861 896210 COC(=O)NCC1=CC(=C(C=C1)Cl)Cl 1 2.929 1 2 -4.15894854060466 896205 CC1=CC(=CC=C1)CSC2=NC3=C(C=C(C=C3)OC)C(=N2)C 1 4.786 2 1 -2.53897719571524 896200 CC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2N3CCOCC3 1 2.786 2 3 -6.99194940568163 896152 C1CC1NC(=O)C2=CC(=CC=C2)Br 1 2.276 1 1 -6.13157256982832 896151 CC1=CC=C(C=C1)/C=C/C(=O)NC2=NC(=C(S2)C(=O)OC)C 1 2.995 2 3 -8.73870664937099 896140 C1=CC(=CC(=C1)Cl)CCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 4.165 2 3 -7.59875263296012 896134 CC(C)C1=CC=C(C=C1)C(=O)NC2=C(SC=C2)C(=O)OC 1 3.617 1 3 -8.36339586810726 896133 C1COCCN1CCNC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 1.423 3 4 0 -9.06826571331486 896124 CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.569 2 4 0 -8.68230883831035 896118 C1=CC=C2C(=C1)C=CC(=C2CO)OCC3=CC(=CC=C3)F 1 3.906 0 2 4.74664117884656 896101 C1CCN(CC1)C(=O)/C=C/C2=CC=CS2 1 2.582 1 1 -7.09452677507849 896091 CC1=CC2=C(C=C1)N=C(S2)N3C(=O)CNC3=S 1 2.827 3 1 -1.5126843940282 896090 CC1=C(C=CO1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC 1 2.432 1 4 -14.6339811247573 896068 CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC 1 1.681 2 3 0 -16.2179228270421 896056 CC1=CC(=NC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C 1 2.666 3 3 -7.4860626970336 896042 CC1=C(C=CO1)C(=O)NCC2=CC=CS2 1 1.61 1 2 0 -9.27002074180283 896038 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)N(C)C 1 1.494 4 4 0 -14.0113288356905 896034 CC1=C(C=NN1C)CN(C)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 1.985 4 3 0 -2.92519083796959 896029 CN1C(=CC(=O)N(C1=O)C)NC(=O)/C=C/C2=CC=CC=C2 1 1.334 3 3 0 -11.6724513884303 896021 CCN1C(=C(C=N1)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C 1 1.66 4 3 0 -11.6686298214863 896020 CC1=CC(=C(C=C1)NC(=O)C2CCCC2)Br 1 3.855 1 1 0.355678557794116 896019 CN(C)C1=CC=C(C=C1)NC(=O)/C=C/C2=C(C=CC=C2Cl)Cl 1 4.573 2 1 -7.06530084078222 896008 CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CN=CC=C2 1 1.972 2 4 0 -15.9230530083316 896003 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(O3)Br 1 0.958 4 2 0 -2.88304107130518 896002 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(OC=C2)C 1 2.244 2 4 -6.83004281105522 895998 COC(=O)C1=CC=CC=C1NC(=O)C2CCCC2 1 2.475 1 3 -5.56860989471423 895997 C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] 1 3.46 2 3 -8.74888354592129 895981 COC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=CC=CO3 1 2.72 2 3 -3.47782044966789 895975 COC(=O)C1=CC(=CC(=C1)NC(=O)C2CC2)C(=O)OC 1 1.418 1 5 0 -8.1390469941578 895967 CC(C)(C)NC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-] 1 2.528 2 3 -9.38703616833493 895955 C1CN(CC2=CC=CC=C21)C(=O)/C=C/C3=C(C=CC=C3Cl)F 1 4.239 1 1 -8.63944747250903 895944 CC1=CC=C(O1)/C=C/C(=O)NCCC2=CC(=CC=C2)Cl 1 3.615 1 2 -3.22135118948653 895943 CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CO3 1 4.217 1 4 -16.8208685517212 895937 C1=CC(=C(C(=C1)Cl)/C=C/C(=O)NCC2=CC=CO2)F 1 3.141 1 2 -8.92038586162913 895914 C1CCN(CC1)C(=S)NC2=CC=C(C=C2)Cl 1 4.629 2 0 -8.79773788435009 895913 C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C=O)CCC(=O)O 1 2.51 2 4 -1.20079980272597 895910 CCN1CCN(CC1)C(=S)NC2=CC=CC(=C2)C(F)(F)F 1 4.296 3 0 -5.10354351389428 895898 CC(=NN1CCN(CC1)C2=CC=C(C=C2)Cl)C3=CC=CO3 1 3.233 3 1 7.20824654494715 895890 CC(=NN1CCN(CC1)C2=CC=CC=N2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.456 5 2 0 -0.276678618469013 895887 CSC1=CC=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Cl 1 4.214 1 1 -1.19195698753177 895886 CC(=NN1CCN(CC1)C2=CC=C(C=C2)Cl)C3=CC=CS3 1 3.791 3 0 3.42660215080788 895885 C1=CC=C(C=C1)CCNC(=O)CSC2=CC=CS2 1 3.122 1 1 -10.4508414211789 895881 C1CCC(CC1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O 1 2.81 1 4 -6.14009699284876 895866 COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] 1 3.148 3 3 5.41074360356416 895859 C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N)N3C(=O)CCC3=O 1 1.071 3 3 0 -10.1333840253562 895839 CC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)OC 1 2.516 2 4 -20.5708540843059 895838 CC(=O)NC1=NN=C(S1)SCC(=O)N2CCC3=CC=CC=C32 1 1.424 4 2 0 -23.0083506757417 895837 CC1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)OC 1 3.6 2 2 -15.1010292174798 895833 CC1=NC(=NN1)SCC(=O)NC2=CC(=CC=C2)Cl 1 2.214 4 1 -6.08521155844801 895824 C1CCCC(CC1)NC(=O)CCSC2=CC=CC=C2 1 3.994 1 1 -8.74837253725936 895818 CN(C)CCNC(=S)NC1=CC=CC=C1Cl 1 3.315 3 0 -4.89735855572813 895817 CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F 1 3.065 1 2 1.73046643512524 895814 CC1=CC=CC2=C1N(C(=C(C2=O)Br)C)CC3=CC=CC=C3 1 4.602 1 1 2.36760083229558e-002 895805 CC(C)SCC1=NC2=CC=CC=C2N1 1 2.813 2 0 -1.81385596090209 895804 CC(C)CC1=NN=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 1.608 4 3 0 -11.5604599376587 895803 C/C(=C/C1=CC=CC=C1)/C=NN2C(=NNC2=S)C3=CC=NC=C3 1 3.403 5 0 -4.69976025417869 895800 COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)NC=O 1 0.889 2 4 0 -18.4161203857311 895797 COC1=CC=CC=C1/C=C/C(=O)NC2=CN=CC=C2 1 1.915 2 2 0 -5.0832577193716 895794 CCOC(=O)CC1=NN(C(=O)C1)C2=CC=CC=C2 1 1.508 2 3 0 -9.38838920406141 895779 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=NC=C3 1 2.432 5 1 -4.85039350485018 895778 CNC(=S)N1CCN(CC1)C2=CC=CC=N2 1 2.211 4 0 -6.88475718347603 895772 CC(C)CCNC(=S)NC1=CC=CC=C1F 1 4.298 2 0 -12.3422552465813 895771 CC1=CC=C(C=C1)SCC(=O)NC2CCCCCC2 1 4.232 1 1 -8.21735808370591 895770 C1CCC(=NN2C(=O)C3=CC=CC=C3NC24CCCC4)C1 1 2.819 3 1 -5.4076524309513 895761 COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 4.049 4 1 -7.61511197634572 895752 CC1(CC(=C(C(=O)C1)C(=O)C2=CC=CC=C2)NCCC3=CC=CC=C3)C 1 4.118 1 2 -10.7940140761511 895742 C1=CC=C(C(=C1)C=NN2C(=NNC2=S)C3=CN=CC=C3)[N+](=O)[O-] 1 2.491 6 2 0 -6.74655674506121 895734 C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=CC=CS3 1 3.703 1 1 -7.32886415802177 895726 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC(=CC=C3)F 1 4.271 4 0 -5.7678454962588 895724 CC(=O)NC1=CC(=CC=C1)NC(=O)C(F)(F)F 1 1.159 2 2 0 -5.79786390006966 895720 C1OC2=C(O1)C=C(C=C2)CNC(=S)NC(=O)C3=CC=CC=C3 1 3.263 2 3 -11.587277858822 895701 C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)C3=CC=CS3 1 2.302 1 4 -7.59924934728854 895694 CNC(=S)N1CCN(CC1)C(=O)C2=CC=CO2 1 1.47 3 2 0 -11.557309364026 895690 C1=CC(=CC=C1C2=NC3=NC=NN3C(=C2)C(F)(F)F)Cl 1 4.222 4 0 -5.20181899934296 895682 CCN1CCN(CC1)C(=S)NC2=CC(=CC=C2)Cl 1 4.018 3 0 -6.72048684681357 895668 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 2.142 1 4 -8.25931845122759 895667 CNC(=S)NCCC1=CC=C(C=C1)OC 1 2.546 2 1 -9.28656952732056 895666 C1CN(CCN1CC2=CC=CC=C2)N=CC3=CC=C(C=C3)C(=O)O 1 -0.301 3 2 0 0.574165522116111 895662 CN(C)C1=CC=C(C=C1)NC(=O)OC2=CC=CC=C2 1 3.332 2 2 -3.77074846702117 895660 COC1=CC=CC(=C1)NC2=NC3(CCCCC3)N=C(N2)N 1 2.333 5 1 0.908021787091132 895654 CCOC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)C(C)(C)C 1 3.321 2 3 -2.49464019201964 895617 C1CCC(C1)NC(=S)NC(=O)C2=CC=CC=C2 1 3.313 2 1 -10.3640051367396 895616 CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=CC(=C2)C 1 3.743 3 2 -9.88625927552513 895611 CCOC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=CC=C2 1 1.878 2 4 0 -15.6334914752857 895604 C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)NC3=CC=CC=C3 1 3.314 3 2 -13.5803894036194 895597 CCC1=NC(=NN1)SCC(=O)NC2=NC=C(C=C2)Br 1 2.353 5 1 -11.5999692803093 895596 CC1(C=C(NC(=S)N1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)C 1 3.161 2 3 -3.95553101783493 895582 CC1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3 1 3.81 3 2 -13.2355905666725 895564 C1=CC(=CC(=C1)Br)C2=NN(C=C2C=O)CCC(=O)O 1 2.664 2 3 -3.05069754818457 895560 C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC=C(O2)Br)F 1 3.934 2 2 -9.38879189606526 895557 CC1=C(C(=CC=C1)NC(=O)CCSC2=CC=CC=C2)C 1 4.228 1 1 -4.52317316280847 895551 CC1=CC(=O)C2=CC=CC=C2N1CC3=CC=CC=C3 1 3.663 1 1 0.525869501024564 895546 C1CCC(CC1)NC(=S)NC(=O)C2=CC=CC=C2 1 3.769 2 1 -10.7184736509077 895545 CC1CCN(CC1)C(=O)CN2N=C(N=N2)C3=CC=CC=C3 1 1.94 5 1 0 -9.17084328884792 895539 CCOC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)N(C)C)SC 1 3.357 4 3 0 -7.70950641465812 895537 CC1=CC=C(O1)/C=C/2\C(=O)N(C(=O)N2)C3=CC=CC=C3 1 2.059 2 3 -2.51486251883065 895533 C1CCN(C1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F 1 2.398 2 3 -9.03318877136071 895529 CC1=CC=C(S1)C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 3.681 4 1 -4.083610915194 895516 CC1=C(C(=CC=C1)N(CC2=CC=C(C=C2)F)C(=O)C)C 1 3.917 1 1 -1.70599211352113 895512 CN(CC(=O)NCC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)F 1 0.645 3 3 0 -14.9453344587106 895511 CC1=C(C=CC(=C1)Cl)NC(=S)NCC2=CC(=CC=C2)OC 1 5.229 2 1 -6.49429273076211 895510 CC1=CC=C(C=C1)C(=O)OC2=C(N(C3=CC=CC=C32)C)C(=O)C 1 4.278 1 3 -4.43318413189045 895509 CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=C(C=C(C=C3)F)F 1 2.702 5 1 -7.15748505867271 895500 COC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CC=CC=C3)N 1 2.643 4 2 -0.512721297112808 895496 CC(=O)NC1=CC=C(C=C1)OC(F)(F)Cl 1 3.357 1 2 -3.03821702116719 895491 CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=C(C=C3)OC)N 1 2.832 4 3 0 -0.480348054503793 895487 CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)CSC3=NC=CN3C 1 2.288 7 0 0 -0.871533271086911 895486 CC(C)COC(=O)NC1=CC=CC=C1C(=O)N2CCOCC2 1 1.887 2 4 0 -14.4210676711325 895460 CCN(CC)C1=NC=NC2=C1C=NN2CC3=CC=C(C=C3)Cl 1 3.126 5 0 -0.872440753369146 895458 CC1=C(C(=CC=C1)N(CC2=CC=C(C=C2)OC)C(=O)C)C 1 3.695 1 2 -2.83083534813052 895457 CC1=CC=C(C=C1)NC(=O)CC2(CCCC2)CC(=O)O 1 2.736 1 3 -4.6025440772983 895452 CN1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F 1 0.375 3 3 0 -6.73750574794392 895451 CCOC1=CC=CC(=C1)C2=NNC(=S)N2CC=C 1 3.051 3 1 -6.65552681152078 895441 CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)N4CCCC4 1 2.712 5 0 0.968245198844302 895439 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F 1 1.921 2 3 0 -12.2821036621244 895429 C1CN(CC=C1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 3.238 2 1 -6.56201428877437 895428 CC1=C(OC(=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C 1 2.519 2 5 0 -6.76985461012686 895427 C1CN(CCN1CC(=O)N)C2=CC(=CC=C2)Cl 1 1.467 3 1 0 4.05839148066462 895423 C1CN(CCC1O)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 4.041 2 2 -7.99577265442677 895414 CC1=NC(=CS1)C2=CC(=CC=C2)NS(=O)(=O)C 1 1.404 2 2 0 2.02528827946769 895413 CC(=O)C1=CC=C(C=C1)OC(=O)COC2=CC=CC=C2 1 2.837 0 4 -9.01448457621315 895406 CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)O)C 1 2.012 2 2 -3.48951382702207 895405 CCCC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C(C)C)OC 1 3.458 3 3 -25.0724670735716 895401 CC(=O)C1=CC=CC=C1OC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 2.731 1 6 0 -10.5694365275893 895390 CCNC1=NC(=NC(=N1)SC(C(=O)C)C(=O)C)N(C)C 1 0.79 5 2 0 -7.45709335739346 895383 CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C3=NC=CC=N3 1 3.95 5 0 -4.15371719371446 895382 CC1=NN=C(S1)SCC(=O)NC2CCCC2 1 1.568 3 1 0 -19.7411677201779 895379 CC1=CC=C(N1NC(=O)C2=C(C=C(C=C2)Cl)Cl)C 1 3.582 2 1 -1.56772302837161 895378 CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3)C 1 3.772 5 0 -7.33696544993033 895376 CCOC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C 1 3.494 2 3 -11.5794090394408 895362 C1CCC(C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3 1 2.347 5 0 -6.78470999348666 895359 CCCC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)OC 1 2.081 4 3 0 -14.9789386754633 895340 C1CCN(CC1)C(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Cl 1 4.392 1 2 -3.03735019061564 895337 C1=CC=C(C=C1)SCC2=NC(=NO2)C3=CN=CC=C3 1 2.388 3 1 1.6660690079688 895286 C1=CC=C(C=C1)COC(=O)NC2=CC=C(C=C2)OCC(=O)N 1 2.014 2 4 -6.06003239784524 895289 C1=CC=C2C(=C1)C=CC=C2NC(=O)NCCC3=CNC4=CC=CC=C43 1 4.052 3 1 -12.0025413784183 895328 CCC1=NN(C(=S)C2=CC=CC=C21)C3=CC=CC=C3 1 4.819 2 0 -3.07216400032358 895322 COC1=CC=C(C=C1)CNC(=O)NC2=CC=CC3=CC=CC=C32 1 3.421 2 2 -7.00960020981652 895304 CC1=CC=CC=C1NC(=O)OCC2=CC=CC=C2 1 3.663 1 2 -5.5318679554559 895260 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)NC3CCCCC3 1 3.046 3 2 -4.82932061916986 895247 CCOC1=CC=CC=C1OC2=NC=C(C=C2)C(F)(F)F 1 4.053 1 2 0.615631993867399 895245 CS(=O)(=O)N(CC(=O)N1CCCC1)C2=CC3=C(C=C2)OCCO3 1 0.459 2 5 0 -15.4815335278384 895241 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3 1 2.566 2 3 -12.6036736809198 895223 C1=CC(=CC=C1NC(=O)NCC2=CC=NC=C2)F 1 1.584 3 1 0 -4.30517484594783 895212 C/C=C/C1=C(C(=C(C(=C1F)F)OC2=CC=C(C=C2)C(=O)O)F)F 1 4.795 0 3 4.67111686839569 895210 COC1=CC=C(C=C1)NC(=O)NCC2=CC=C(C=C2)Cl 1 3.177 2 2 -3.08401493919437 895202 CC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C#N 1 3.014 2 1 -6.5012507786661 895198 COC1=CC=CC2=C1OC(=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.707 1 5 -1.59213596016669 895197 CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=CC=CC=C2 1 4.142 1 2 -8.34914430713702 895195 COC1=CC=C(C=C1)NC(=O)N2CCC(CC2)C(=O)OC 1 1.463 2 4 0 -6.78838965388686 895194 COC(=O)C1=CC=C(C=C1)COC(=O)C2=NC=CN=C2 1 1.251 2 4 0 -8.1225521568112 895193 CC1=CC=C(C=C1)CC2=NC(=NO2)C3=CC=NC=C3 1 2.515 3 1 3.06952715329225 895190 CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N=C2C)C)C 1 2.338 3 2 -2.22074569986078 895182 C1CCCN(CC1)C(=O)C2=CC=CC=C2SCC3=CC=CC=C3 1 4.742 1 1 -12.5724479426667 895172 COC1=CC=C(C=C1)NC(=O)NCC2=CC=NC=C2 1 1.362 3 2 0 -5.43001808055722 895165 CCC(=O)NC1=CC(=C(C(=C1)C)OC)C 1 2.573 1 2 -5.00817240881924 895162 CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N2CCOCC2 1 3.111 1 3 -3.30921380564337 895159 CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC(=CC=C3)OC 1 3.252 3 2 -4.94873824152269 895157 C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.823 2 4 -3.48079892220031 895152 C1CC2=CC=CC3=C(C=CC1=C23)C(=O)N4CCN(CC4)C5=NC=CC=N5 1 2.504 4 1 1.77094272767314 895149 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.59 3 1 -0.607024934437236 895143 C1=CC=C(C(=C1)NC(=O)NCCC2=CC=C(C=C2)F)Cl 1 3.72 2 1 -6.04663935456241 895102 CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3 1 3.547 2 2 -6.81811197196177 895085 CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C#N 1 3.699 3 1 -16.1081317321684 895077 CC1=CC=C(C=C1)CC2=NC(=NO2)C3=CN=CC=C3 1 2.515 3 1 0.526823228953453 895068 C1CN(CCN1C2=CC=CC=N2)C(=O)CSC3=CC=CC=C3 1 2.655 3 1 -3.9826523150299 895061 CCOC(=O)C1CCN(CC1)C(=O)NC2=C(C=C(C=C2)Cl)Cl 1 3.157 2 3 -6.51936015832872 895051 CC1=CC=C(C=C1)CC2=NC(=NO2)C3=CC(=CC=C3)C 1 4.152 2 1 6.36698302150911 895032 C1=CC(=C(C=C1Cl)C2=NC(=NO2)C3=CC=NC=C3)Cl 1 3.323 3 1 10.5264279215044 895028 COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.154 0 6 -10.0293196071639 895015 CCC(=O)NC1=CC=CC(=C1)C(=O)C2=CC=CC=C2 1 3.021 1 2 -5.45947250436719 895002 CCCC(=O)NC1=CC=CC=C1C2=NNC(=NC2=O)SC 1 2.469 4 2 -16.8849713919784 895000 CC(=O)NC1=CC=C(C=C1)OCC2=CC(=CC=C2)[N+](=O)[O-] 1 2.411 2 4 -7.07560600434792 894989 C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2 1 4.202 1 1 -9.14052330902203 894979 CC1=C(C(=NN1C)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C 1 0.809 4 3 0 -9.46816364463147 894972 CC1=CC=CC(=C1)C(=O)N2C=NN=C2N 1 1.129 4 1 0 -1.67340084403102 894971 CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C 1 2.553 3 2 -8.9922728093012 894960 C1=CC=C(C=C1)SCC(=O)NC2=CC=CC(=C2)C#N 1 2.887 2 1 -7.62985169653263 894953 CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CS3 1 2.614 3 2 -10.3326001533365 894949 CC1=C(C=C(C=C1)N(C)C2=NC(=O)CS2)Cl 1 3.238 2 1 -5.41607956992715 894944 COC(=O)C1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC=CS2 1 2.137 1 5 -14.2670428123887 894940 CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C(=O)C)OC)[N+](=O)[O-] 1 3.501 1 5 -9.37157118079684 894937 COC1=CC=CC(=C1)NC(=O)CSCC2=NC(=O)NN2 1 0.31 4 3 0 -11.5218621750647 894935 CC1=CC=C(C=C1)CC(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.431 1 3 -12.8561153046138 894934 CCOC(=O)N1CCN(CC1)C(=O)CC2=CC=C(C=C2)C 1 1.973 2 3 0 -8.07067735178182 894930 C1=CC=C(C(=C1)NC(=O)NCC2=CC=CC=N2)Cl 1 2.258 3 1 -7.99278856460012 894919 C1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)F 1 3.22 1 1 -8.79518083943589 894911 C1=CC(=CC=C1CNC(=O)NC2=CC=C(C=C2)F)Cl 1 3.399 2 1 -1.95917170458498 894908 CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.782 3 1 -4.63146828356081 894902 C1CC1NC(=O)C2=CC3=CC=CC=C3O2 1 2.122 1 2 -1.93116768415502 894896 CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.96 3 4 0 -9.02390064543786 894894 COC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.206 2 6 0 -12.3154509796856 894883 C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)Cl 1 3.888 3 0 -4.0913387080007 894880 CC1=C(C=C(C=C1)OCC2=CC=C(C=C2)C(=O)N3CCOCC3)C 1 3.471 1 3 -6.61355731614376 894875 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OCC(=O)N 1 2.97 2 3 -6.14847161220609 894868 COC1=CC=CC(=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3Cl 1 3.429 3 2 -0.273907372877612 894807 CC1=CC=CC(=C1)C2=NOC(=N2)CSC3=CC=CC=C3 1 4.024 2 1 7.97084740419562 894806 COC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2 1 1.479 2 3 0 -6.70085043202551 894792 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC3=CC(=CC=C3)[N+](=O)[O-] 1 4.076 2 4 -8.16386221813711 894790 CC1=CC=C(C=C1)CC(=O)NCC2=CC=C(C=C2)F 1 3.348 1 1 -8.32471085350112 894785 CC1(CC(CC(N1)(C)C)NC(=O)CSC2=CC=CC=C2)C 1 2.171 2 1 -14.4954856266809 894766 C1=CC=C(C=C1)SCC2=NC(=NO2)C3=CC=NC=C3 1 2.388 3 1 4.30616715883238 894754 CC(C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F 1 4.43 1 2 3.31729481289109 894750 CC(C)CNC(=O)C1=C(C=CC(=C1)SC)Cl 1 3.436 1 1 -5.17752082652835 894727 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3CC3 1 1.87 4 1 0 -17.1176659444873 894713 COC1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C32 1 2.787 2 2 -8.5817108258141 894698 C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F 1 2.401 2 2 -13.7161006017759 894694 CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C)C 1 2.531 2 2 -10.7516003873214 894690 COC(=O)C1CCN(CC1)C(=O)NC2CCCCC2 1 1.761 2 3 0 -11.1160137179094 894681 COC1=CC=C(C=C1)NC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.281 2 4 -6.60126756700631 894678 CCOC1=CC=CC(=C1)OC2=NC=C(C=C2)C(F)(F)F 1 4.053 1 2 3.28129445875903 894671 COC(=O)C1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC=CO2 1 1.579 1 6 0 -12.7100261736269 894648 C1=CC=C(C(=C1)NC(=O)NCCC2=CC=NC=C2)Cl 1 2.364 3 1 -7.28252083080369 894645 CC1=C(C(=NN1)C)NC(=O)C2=CC(=CC=C2)OC 1 1.47 3 2 0 -4.55531578767321 894644 CCC1=NN=C(S1)NC(=O)OCC2=CC=CC=C2 1 2.578 3 2 -10.4686668183362 894639 COC1=C(C(=CC=C1)OC)OC2=NC=C(C=C2)C(F)(F)F 1 3.688 1 3 3.11393458422141 894634 C1=CC=C(C(=C1)OC2=NC=C(C=C2)C(F)(F)F)Cl 1 4.385 1 1 3.99771469891563 894626 COC1=CC=C(C=C1)C(=O)NC2C3=CC=CC=C3C4=CC=CC=C24 1 3.905 1 2 -4.25515580308611 894610 CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC=CC=C2OC 1 3.049 2 3 -8.69580921462437 894605 COC(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2 1 3.16 1 3 -3.81628847158078 894596 CCOC(=O)C1CCN(CC1)CC2=C(OC3=CC=CC=C3C2=O)O 1 2.537 1 5 -1.72900293554604 894591 CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CN=CC=C2 1 1.915 3 2 0 -8.91266366827561 894590 CCNC(=O)C1=CC=CC=C1SCC2=CC=CC=C2 1 3.512 1 1 -14.2584907254077 894589 CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2Cl 1 3.053 1 3 -6.55671029310868 894579 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)COC4=CC=C(C=C4)F 1 5.038 1 2 -2.64057388141286 894571 C1=CC=C(C(=C1)[N+](=O)[O-])OC2=NC=C(C=C2)C(F)(F)F 1 3.615 2 3 0.213986466693109 894568 CN1C(=NN=N1)SCC(=O)NC2=C(C=CC(=C2)OC)OC 1 0.827 5 3 0 -21.8754889807194 894555 CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)OC 1 3.049 2 3 -8.03013892170738 894553 C1CN(CCN1C2=CC=C(C=C2)F)C3=NS(=O)(=O)C4=CC=CC=C43 1 2.66 3 2 1.1000914320756 894549 CSC1=NSC(=N1)NC(=O)CC2=CC=CC=C2 1 2.582 3 1 -4.499141445972 894546 C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 3.611 2 2 -12.7127800532353 894541 CC1=CC(=CC=C1)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24 1 4.606 1 2 -6.41403917910801 894540 C1=CC=C2C=C(C=CC2=C1)CC(=O)NC3=CC=CC=C3Br 1 4.306 1 1 -4.13384398616506 894524 CC(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C 1 0.881 2 3 0 -17.3207012043944 894520 CCOC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 4.254 1 3 -7.88784882917614 894512 C1=CC(=CC=C1NC(=O)NCCC2=CC=NC=C2)F 1 1.905 3 1 0 -5.44406925183554 894506 CN1C(=CN=C1SCC(=O)NCC2=CC=CO2)C3=CC=CC=C3 1 2.641 3 2 -12.8304492470912 894505 CC1=CC(=C(C=C1)C)NC2=NS(=O)(=O)C3=CC=CC=C32 1 3.169 2 2 -3.09208833055517 894504 CC1=C(C(=C(C=C1)CNC(=O)COC2=CC=C(C=C2)F)C)NC(=O)C 1 2.755 2 3 -11.1261263645656 894484 COC1=CC=C(C=C1)CNC(=O)NC2=CC(=CC=C2)Cl 1 3.177 2 2 -2.15714437307574 894481 CN(C)C1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(=O)OC 1 3.286 1 4 -7.12650520441338 894454 CC1=CC(=C(C=C1)OC)NC(=O)CSC2=CC=C(C=C2)Cl 1 4.142 1 2 -5.28306700383568 894447 COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)O 1 3.104 1 3 -1.67317184931867 894444 CC1=C(C=C2CN(CC2=C1)C3=C(C=CC(=C3)OC)OC)C 1 4.268 1 2 -0.684475748574847 894433 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)NC3CC3 1 1.418 4 1 0 -5.08838077562331 894431 COC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C 1 0.938 2 4 0 -17.8257317952101 894430 CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)C 1 3.729 1 3 -0.908145050572758 894420 CC1=CC=C(C=C1)NC(=O)CCN2CCC(CC2)CC3=CC=CC=C3 1 4.348 2 1 0.659057252134369 894413 COC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 1.26 2 5 0 -9.56251623376486 894412 CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)CO 1 2.333 0 4 3.65822389450065 894409 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=C(C=C2)F)Cl 1 1.497 2 3 0 -8.00483899888872 894408 CCCN1N=C(N=N1)NC(=O)C2=CC=C(O2)Br 1 2.026 5 2 0 -9.05543088343437 894401 CN(CC(=O)N1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)OC 1 -0.116 2 5 0 -12.1876818071977 894390 C1CCC(CC1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.483 2 4 0 -6.82315046532584 894388 CC1=NC=C(C(=C1)CC2=CC=C(C=C2)[N+](=O)[O-])C 1 3.317 2 2 -2.94513077194774 894384 C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 1.903 2 3 0 -4.09224054222018 894378 CN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F)N=N1 1 3.276 5 1 1.12018631560963 894375 C1=CSC(=C1)C2=CC=C(N2C3=CC=C(C=C3)C(=O)O)CCC(=O)O 1 4.09 1 4 -7.95381068131174 894364 CC(=O)NC1=CC=C(C=C1)OCC(=O)NCC2=CC=CC=C2 1 1.577 2 3 0 -12.9555667250297 894362 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)NCC2=CN=CC=C2 1 0.864 2 5 0 -11.2769562228971 894360 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 2.534 2 4 -7.6573435679473 894353 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.926 1 2 -9.50492966417305 894348 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC3=C(C=C2)OCO3 1 1.631 2 5 0 -12.8328598123328 894343 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2CC2 1 0.776 2 3 0 -12.1965883456506 894340 CCOC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C 1 0.959 2 4 0 -13.590342543339 894334 CS(=O)(=O)N(CC(=O)NC1CCCCC1)C2=CC(=CC=C2)F 1 2.07 2 3 -13.7651437396014 894327 CN(C1=CC=CC=C1)C(=O)CN2C=C(C3=CC=CC=C32)C#N 1 3.05 3 1 -7.3495438326932 894324 CNC(=O)CSCC1=C(C=CC=C1Cl)Cl 1 2.767 1 1 -11.0746568506998 894323 CCC1=C(C(=CC=C1)CC)NC(=S)NC2=CC=CC=C2 1 6.251 2 0 -4.99659523772782 894322 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)OC)OC 1 2.617 1 5 -4.91956539502084 894312 C1=COC(=C1)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O 1 3.648 1 3 -9.65785157009316 894308 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC 1 2.854 1 5 -10.9299883712676 894307 C1CCCN(CC1)C(=O)CNS(=O)(=O)C2=CC=C(C=C2)F 1 1.585 2 3 0 -9.75944374051134 894303 CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)CC(=O)NC2CCCC2)C 1 2.867 2 3 -10.1409543307925 894301 C1=CC(=CC=C1C2=CC=C(N2NC(=O)N)CCC(=O)O)Cl 1 2.553 3 3 -4.62463071424191 894294 COC1=C(C(=C(C=C1)S(=O)(=O)N2CCOCC2)Cl)Cl 1 1.947 1 4 0 -12.527276803702 894282 COC1=C(C=C(C=C1)N2CC3=CC=CC=C3C2)Cl 1 3.977 1 1 0.842768651142642 894280 C1CCC(CC1)NS(=O)(=O)C2=CC=C(S2)Cl 1 2.844 1 2 -2.87722309410345 894278 C1=CC=C(C=C1)CS(=O)(=O)CCSC2=NC3=CC=CC=C3O2 1 3.62 1 3 -6.54865871112408 894271 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C 1 2.843 1 5 -9.42685803162066 894269 CC(C)CNC(=O)C1=CC=CC=C1NC(=O)NC2=CC=CC=C2 1 2.922 3 2 -13.285335499077 894265 CC1CCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3 1 3.529 2 2 -11.1607753850535 894264 CC1=CC(=NC(=N1)N(CC2=CC=CC3=CC=CC=C32)C#N)C 1 3.103 4 0 2.38903760069525 894261 CC1=CC(=NC(=N1)N(CC2=CC=C(C=C2)Cl)C#N)C 1 2.86 4 0 1.63360532914516 894260 C1COCCN1C(=O)COC2=CC=C(C=C2)C=O 1 0.526 1 4 0 -11.3267896431931 894259 COC1=CC=C(C=C1)C2=CC=C(N2NC(=O)N)CCC(=O)O 1 1.872 3 4 0 -6.85959561397287 894252 CN(CC(=O)NC1CC1)S(=O)(=O)C2=CC=C(C=C2)OC 1 0.48 2 4 0 -12.8170449963672 894251 CN(C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2)S(=O)(=O)C 1 1.738 2 3 0 -13.681043719027 894244 C1=CC=C(C(=C1)CSC2=NC=CC=N2)Cl 1 3.362 2 0 -5.76563824931904 894238 CCS(=O)(=O)CCSC1=C(C(=CC(=N1)C)C)C#N 1 2.354 2 2 -13.6607464147291 894235 CC(=O)NC1=CC=C(C=C1)NC(=O)CSCC2=CC=CC=C2Cl 1 2.799 2 2 -12.7857966757425 894234 C1=CC=C2C(=C1)C(=CN2CC(=O)NCC3=CN=CC=C3)C#N 1 1.701 4 1 0 -17.1659180489447 894233 CNC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)F 1 0.212 2 3 0 -9.51419114711099 894215 CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2)NC(=O)CC3=CC=CC=C3 1 3.92 2 2 -13.5343466342294 894208 CCN(CC)C(=O)CN1C2=CC=CC3=C2C(=CC=C3)C1=O 1 1.862 2 2 0 -8.76612622326883 894206 CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=C3 1 4.024 2 1 4.96336058427473 894197 C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)NC3=CC(=CC=C3)Cl 1 2.775 3 2 -12.2401724885878 894193 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2CCCCCC2 1 2.601 2 3 -12.0374506796515 894186 COC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NC2CC2)OC 1 0.257 2 5 0 -17.6811643322109 894181 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC(=O)OC 1 3.905 1 3 -7.10611448438507 894180 CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=C(S2)Br 1 2.343 2 2 -1.44500915074132 894175 C1=CC(=CC=C1NC(=O)COC2=C(C=C(C=C2)CO)Cl)F 1 2.715 1 3 -4.03799473179862 894165 CCOC1=C(C=C(C(=C1)CO)Br)OCC(=O)O 1 1.771 0 5 0 -8.01990473073685 894157 CCCN1N=C(N=N1)NC(=O)C2=CC=CO2 1 1.458 5 2 0 -7.74222089898571 894153 CS(=O)(=O)N(CC(=O)NC1CCCC1)C2=CC(=CC=C2)F 1 1.614 2 3 0 -13.4106752254333 894150 CCC1=CC(=C(C=C1)OCC(=O)N(C)C)Br 1 2.77 1 2 -3.86980134519335 894147 CC(C)(C)C1=CSC(=N1)NC2=NS(=O)(=O)C3=CC=CC=C32 1 3.022 3 2 -2.65483281959573 894144 C1=CC(=CC=C1C2=CC=C(N2CCC(=O)O)CCC(=O)O)F 1 2.865 1 4 -5.40363546654418 894140 CC(=O)C1=CC(=CC=C1)N2C(=CC=C2C3=CC=CC=C3)CCC(=O)O 1 4.246 1 3 -6.62243746304632 894139 CCCN1N=C(N=N1)NC(=O)C2=C(C=CC(=C2)Br)OC 1 2.795 5 2 0 -8.1564798672212 894137 CN(CC(=O)N1CCCC1)S(=O)(=O)C2=CC=C(C=C2)OC 1 0.657 2 4 0 -10.264916843254 894134 CC1=CC=C(C=C1)SCCC(=O)N2CCOCC2 1 2.059 1 2 -8.25103622204645 894133 COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)Cl 1 1.275 2 4 0 -10.7381167477553 894128 C=CCN1C(=CC=C1C2=CC=CC=C2)CCC(=O)O 1 3.547 1 2 -8.79567114050866 894124 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2 1 1.079 2 5 0 -11.678273829807 894123 CC1=CC=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)OC 1 3.726 1 2 -4.92183919201776 894122 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F 1 2.71 4 1 0.902966602766444 894117 CC1=C(C=C(C=C1)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)F)C 1 2.555 2 3 -9.41232803624576 894115 C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC=C(C=C3)O)N=CC=C2 1 2.262 2 3 -3.22563780960624 894114 CCOC(=O)CC1=NC2=C(O1)C=CC(=C2)Cl 1 2.665 1 3 -1.93260189750344 894113 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NCC3=CC=CO3 1 0.638 2 5 0 -11.7028712290553 894111 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C 1 3.335 2 2 -6.15201007284125 894110 CC1=CN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3S2 1 2.776 3 1 -9.09163087227095 894109 CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N(C(=N3)C)C 1 2.991 4 1 -0.856826183427562 894107 CCCN1N=C(N=N1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.881 5 1 -3.0083580338122 894103 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(S2)Br 1 3.165 1 2 -2.37395412122458 894100 CCC1=CC(=C(C=C1)OCC(=O)NC2=CC=NC=C2)Br 1 2.99 2 2 -4.29606630910182 894096 C1=CC=C(C=C1)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)F 1 1.582 2 3 0 -9.321067359979 894095 C1=CC(=CC=C1COC2=C(C=C(C=C2)CO)Cl)C(=O)O 1 3.086 0 4 -2.69107304111477 894093 CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)C=O)[N+](=O)[O-])C 1 2.909 3 3 -5.7288869650205 894067 CS(=O)(=O)N(CC(=O)N1CCOCC1)C2=CC(=CC=C2)F 1 0.105 2 4 0 -13.2573321003158 894054 CC(=O)C1=CC(=CC=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)O 1 4.2 1 3 -9.50547138133451 894053 CN1C2=C(C=C(C=C2)NC(=O)N3CCN(CC3)C4=CC=CC=N4)N=N1 1 1.98 7 1 0 -3.02177109336132 894049 CCCN1N=C(N=N1)NC(=O)C2=CC=C(C=C2)Br 1 2.811 5 1 -8.28273435168713 894044 CC1=NC2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC 1 2.292 3 3 -2.90432873453926 894041 CCC1=CC2=C(C=C1)NC(=O)N(C2=C)C3=CC=C(C=C3)C 1 4.159 2 1 0.994498628020354 894037 CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C(=CC(=N2)C)C)C#N 1 4.068 2 2 -15.0379215234619 894029 CN(C1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2)S(=O)(=O)C 1 2.059 2 3 -12.9561261588225 894026 CCNS(=O)(=O)C1=CC(=C(C=C1)OC)C 1 1.559 1 3 0 -4.86461167598072 894019 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CN=CC=C2 1 0.954 3 3 0 -7.6182500387107 894018 CC1=C(OC=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CO3)C 1 1.888 2 4 0 -6.49622012013099 894015 CCCC(=O)NC1C2CC3CC(C2)CC1C3 1 2.754 1 1 -8.85774972602092 894008 CN(C1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C 1 1.626 3 5 0 -12.5012105593484 894007 CC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)C(=O)O)CCC(=O)O 1 4.622 1 4 -4.59626034670836 894003 CCC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2 1 4.154 3 1 -7.6237597757624 893998 CCCN1N=C(N=N1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.622 6 3 0 -7.28621241540076 893997 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(=O)OC 1 2.36 4 3 0 -3.75370635446582 893996 COC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)OC 1 0.594 2 5 0 -13.8340553510848 893990 C1=CSC(=C1)C(=O)NC2=C(C=C(C=C2)O)C(=O)O 1 1.955 1 4 0 -7.11785317213247 893987 CN1C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)N(C)C)N=N1 1 2.495 6 1 0 -5.68740317885751 893986 C1COCCN1C(=O)CSCC2=C(C=CC=C2Cl)Cl 1 2.66 1 2 -12.9616934755643 893981 CC1=CC=CC=C1CN(C#N)C2=NC(=CC(=N2)C)C 1 2.681 4 0 -1.84754154196409 893978 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)NCC3=CC=CO3 1 1.693 4 2 0 -5.06641365034972 893971 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=CC=CC=C3C=C2)OC 1 3.695 1 3 1.24218523899723 893968 CCCN1N=C(N=N1)NC(=O)C2=CC3=CC=CC=C3C=C2 1 2.971 5 1 -5.94503556910067 893961 CC1=CC(=NC(=N1)N(CC(=O)C2=CC=CC=C2)C#N)C 1 1.867 4 1 0 -4.54654160777769 893954 CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)OC)C 1 3.606 2 1 -0.247120222214299 893951 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=CC=C2)F 1 0.832 2 3 0 -8.11229622470859 893949 CC1=CC(=NC(=N1)N(CC2=CC=C(C=C2)[N+](=O)[O-])C#N)C 1 2.09 5 2 0 -2.69424121171261 893945 C1=CC(=CC=C1C2=CC=C(N2CCC(=O)O)CCC(=O)O)Cl 1 3.324 1 4 -4.29351380142261 893941 C1=CC=C(C(=C1)NC(=O)CN2C3=CC=CC=C3OC2=O)Cl 1 2.846 2 3 -4.86987897851861 893940 C1=COC(=C1)CN2C(=CC=C2C3=CC=C(C=C3)Cl)CCC(=O)O 1 4.359 1 3 -4.29471270803898 893938 CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C 1 1.169 2 3 0 -7.8008220411043 893937 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.399 5 3 0 -2.9440587973091 893935 C1CCN(CC1)C2=NC(=NC3=CC=CC=C32)N4CCOCC4 1 2.137 4 1 2.59158535283764 893931 C1=CC(=C(C(=C1)Cl)CSCC(=O)N)Cl 1 2.561 1 1 -8.17082897466516 893928 CC(=O)C1=CC=C(C=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)O 1 4.2 1 3 -9.94303668537364 893927 CC1=CC(=NO1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C 1 0.785 3 4 0 -19.552260683466 893921 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2 1 0.864 2 5 0 -9.27807127326385 893917 CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)O)C(=O)O 1 2.488 1 4 -8.91429946073347 893914 CN(CC(=O)N)S(=O)(=O)C1=CC=C(C=C1)F 1 6.e-003 2 3 0 -5.57388654701773 893909 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2F 1 0.832 2 3 0 -10.5202281939174 893906 C1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=CS3)CCC(=O)O 1 4.788 1 2 -11.9050869660519 893902 CC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N(C(=N3)C)C)C 1 3.477 4 1 -1.16187037182627 893896 COC1=C(C(=C(C=C1)S(=O)(=O)NC2CCCC2)Cl)Cl 1 3.455 1 3 -7.65806117490558 893891 CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)O)C 1 2.892 2 2 -10.2634964773898 893889 CCC(=O)NC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)NC3=O 1 2.003 2 4 -4.36324490596924 893887 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3 1 0.395 2 5 0 -12.8598714556009 893886 CC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3OC2=O 1 2.668 2 3 -7.43523602593704 893880 C1=CC=C2C(=C1)N=C(S2)NS(=O)(=O)C3=CC=C(S3)Cl 1 3.188 2 2 5.54485739724192 893878 CC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)OCC(=O)OC 1 2.791 1 4 -10.4855197489382 893873 C1COCCN1C(=O)CNS(=O)(=O)C2=CC=C(C=C2)F 1 -0.1 2 4 0 -11.3277401902869 893863 CC1=NC2=C(O1)C=CC(=C2)NC(=O)NCCC3=CCCCC3 1 3.06 3 2 -9.36210662173003 893857 CC1=CC(=NC(=C1C#N)SCCS(=O)(=O)CC2=CC=CC=C2)C 1 3.589 2 2 -13.5084804129452 893856 CC1=CC=C(C=C1)SCCC(=O)N(C)C 1 2.371 1 1 -5.74658660377838 893855 COC(=O)CNC1=CC2=C(C=C1)OCO2 1 1.113 1 4 0 -9.83388513713764 893843 CC1=C(SC(=N1)NC(=O)COC2=CC=CC=C2OC)C 1 1.858 2 3 0 -9.51395885107321 893838 C1=CC(=CC=C1CO)OCC(=O)NC2=CC=C(C=C2)F 1 2.051 1 3 -4.96788552061382 893836 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)NC3=CC=CC=C3OC 1 2.488 4 2 -5.2548164147596 893834 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 1 2.011 1 5 -20.0084728930545 893827 CC1=NC2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)Br 1 3.057 3 2 -2.12602357990974 893823 C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3O 1 3.594 1 3 3.98040382736865 893822 C1=CN=C(N=C1)SCC2=CC=C(C=C2)Cl 1 3.362 2 0 -2.1982656576317 893820 CCOC(=O)N1CCN(CC1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C 1 1.147 4 4 0 -5.9262258867326 893819 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 1.74 1 3 0 -13.8470154270229 893815 C1=CC(=CC=C1CC(=O)NC2=C(C=C(C=C2)O)C(=O)O)[N+](=O)[O-] 1 1.931 2 6 0 -9.2307592877228 893800 CCCN1N=C(N=N1)NC(=O)C2=CC3=CC=CC=C3O2 1 2.658 5 2 0 -3.4257692634361 893799 C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)O)N 1 2.248 2 2 -2.35268199104889 893795 CC1=C(NC(=NC1=O)N2CCOCC2)C 1 0.102 3 2 0 -10.241541771382 893790 CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)CC(=O)N)C 1 1.259 2 3 0 -4.53624529621956 893789 COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)Cl)O 1 3.055 1 3 0.147990624989963 893786 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)C 1 3.119 1 4 -1.77685332701079 893784 CCCN1N=C(N=N1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 3.592 5 1 -12.7460534590813 893783 C1=CC(=CC(=C1)CSC2=NC=CC=N2)C(=O)O 1 2.327 2 2 -7.6962685224236 893782 CC1=CC(=NC(=N1)N(CC2=CC=C(C=C2)Br)C#N)C 1 2.944 4 0 0.176945584043723 893773 CCN1C(=NN=C1SC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CO3 1 3.011 5 3 0 -4.46084097069972 893755 CC1=CC(=O)N=C(N1)SCC(=O)N2CCC(CC2)C(=O)N 1 -0.292 4 3 0 -19.8570803564996 893747 CCS(=O)(=O)CCSC1=NC2=CC=CC=C2O1 1 2.385 1 3 -6.4570777988775 893746 CCCN1N=C(N=N1)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3 1 3.63 5 2 0 -10.4633467611134 893741 CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3CCCCC3 1 4.18 2 2 7.20646236567005e-002 893737 CC1=CC(=NC(=N1)N2CCCCC2)N3CCCCC3 1 2.312 4 0 -0.65229617419805 893736 CC1=CC=CC=C1CSCC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 5.019 1 1 -6.11669665494393 893729 CN1C2=C(C=C(C=C2)NC(=O)NCC3=CC4=C(C=C3)OCO4)N=N1 1 2.108 5 3 0 -7.10560602840503 893728 C1CN(CCN1C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CS3 1 3.027 2 2 -7.50563124595453 893726 CC(C)CN1C(=O)C2=CC=CC=C2C3=CC=CC=C3C1=O 1 3.572 1 2 -4.81192298451924 893723 CC1=CC(=C(C(=C1)C)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3)C 1 4.253 2 3 -6.54479246015933 893707 CN(C1=CC=CC(=C1)NC(=O)COC2=CC=CC=C2)S(=O)(=O)C 1 1.566 2 4 0 -9.41400714257605 893703 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C 1 -0.535 3 5 0 -16.1243890700078 893702 COC1=CC=C(C=C1)C2=CC=C(N2CC=C)CCC(=O)O 1 3.53 1 3 -8.7341209333376 893696 CN(CC(=O)NC1CCCCCC1)S(=O)(=O)C2=CC=C(C=C2)F 1 2.526 2 3 -11.5330640957588 893693 CCCN1C(=CC=C1C2=CC=C(C=C2)F)CCC(=O)O 1 4.008 1 2 -5.42466741933396 893690 CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)NC(=O)C 1 2.614 2 2 -7.89874675098874 893687 CN1C2=C(C=C(C=C2)NC(=O)N(C)C3=CC=C(C=C3)OC)N=N1 1 2.523 5 2 0 -3.21803132223983 893686 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43 1 3.413 4 1 -2.6994494223106 893676 C1=CC=C(C(=C1)OCC(=O)NC2=C(C=CC(=C2)Cl)O)Cl 1 3.536 1 3 -0.60019956334157 893675 CN(C1=CC=C(C=C1)C(=O)N2CCOCC2)S(=O)(=O)C 1 4.8e-002 2 4 0 -12.3412238451844 893674 C1CCC(CC1)NC(=O)CSC2=CC=C(C=C2)F 1 3.495 1 1 -7.50548105824066 893673 C1=CC(=CC=C1NC(=O)CSC2=CC=C(C=C2)F)Br 1 3.962 1 1 -3.63161304328486 893670 C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NCC3=CC=CO3 1 0.781 3 3 0 -16.3860857743716 893667 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)NC3=CC=CC=C3Cl 1 3.169 4 1 -1.72243739577817 893664 CCOC(=O)C1CCN(CC1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C 1 1.614 3 4 0 -8.82023771282481 893661 CS(=O)(=O)C1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N 1 4.088 2 2 -7.14847968208867 893657 CC1=CC=C(C=C1)CN(C#N)C2=NC(=CC(=N2)C)C 1 2.681 4 0 -0.376689955775461 893652 CC1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC(=C3)C(=O)C)CCC(=O)O 1 4.732 1 3 -6.05052682020634 893651 COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)OC 1 0.594 2 5 0 -15.233420639372 893637 C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NCC(=O)O 1 1.74 1 4 0 -5.64450691927418 893636 C1CCC(CC1)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)C2=O 1 2.817 2 2 -6.86653182014227 893634 CC1=CC=CC=C1CSC2=NC3=C(C=C(C=C3)OC)C(=N2)C 1 4.786 2 1 -5.6638233320232 893630 CC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N(N=N3)C)C 1 3.306 5 1 -3.33116098864357 893629 CN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3OC)N=N1 1 2.317 5 2 0 -7.61240362591069 893627 CCCN1N=C(N=N1)NC(=O)COC2=CC=C(C=C2)C3CCCCC3 1 4.09 5 2 0 -6.22599451714338 893626 CC1=NC2=C(O1)C=CC(=C2)NC(=O)NCC3=CC=CC=C3 1 2.316 3 2 -5.55057481688814 893621 C1=COC(=C1)CN2C(=CC=C2C3=CC=C(C=C3)F)CCC(=O)O 1 3.901 1 3 -5.40483437316055 893617 CCCN1N=C(N=N1)NC(=O)C2=CC=CC=C2Br 1 2.811 5 1 -7.97486157697833 893610 CC1=NC2=C(O1)C=CC(=C2)NC(=O)N(C)C3=CC4=CC=CC=C4C=C3 1 3.423 3 2 -0.388245303143941 893606 CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C 1 0.959 2 4 0 -11.0824912511912 893603 CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(S2)Cl 1 1.683 2 3 0 -1.03896010029715 893592 CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OC(=N3)C 1 2.795 3 2 -2.67965911972893 893587 CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=CS2 1 1.775 2 2 0 -3.76189255125477 893585 CCC1=CC(=C(C=C1)OCC(=O)NCC2=CC=CO2)Br 1 3.329 1 3 -9.9765857202146 893583 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)OC 1 2.633 1 4 -2.33893262960162 893581 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 0.413 2 5 0 -14.3051726091694 893575 CCOC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3OC2=O 1 2.514 2 4 -9.19550874638003 893573 C1COCCN1C2=CC=C(C=C2)C(=S)N3CCOCC3 1 2.205 2 2 -4.01420848489813 893566 CCOC(=O)C1=C(C=C(C=C1)N2CC3=CC(=C(C=C3C2)C)C)O 1 4.263 1 3 -2.26960963012852 893563 C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3 1 2.496 3 3 -14.7234239378588 893548 COC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C 1 1.275 2 4 0 -9.64656643485449 893544 CC1=NC2=C(O1)C=CC(=C2)NC(=O)N3CCN(CC3)C4=CC=CC=N4 1 1.956 5 2 0 -2.48701681851159 893536 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2 1 2.392 2 3 -19.1766465789903 893532 CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC(=O)NCC2=CC=CC=N2)C 1 1.907 3 3 0 -14.4715010320253 893528 CC1=CC=C(C=C1)SCCC(=O)NC2=CC(=CC=C2)OC 1 3.726 1 2 -4.56513379733009 893527 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2 1 1.545 1 6 0 -13.5128122126702 893526 CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C 1 1.097 2 4 0 -11.6616137270908 893522 COC1=CC=C(C=C1)C2=CC=C(N2CC3=CC=CO3)CCC(=O)O 1 3.679 1 4 -6.52967760776994 893516 CC1=CC(=NC(=N1)N(CC2=CC(=CC=C2)[N+](=O)[O-])C#N)C 1 2.09 5 2 0 -3.60247065820302 893507 CC1=C(C(=O)NC(=O)N1)NC(=O)C2=CC=C(C=C2)OC(C)C 1 0.7 3 4 0 -18.028079974725 893506 CCOC1=CC=C(C=C1)S(=O)(=O)NC2CCCC2 1 2.475 1 3 -7.88189767524453 893502 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)N3CCCCC3 1 2.051 4 1 -3.82246352178267 893499 CC1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O)C 1 2.248 2 4 -8.04259169741348 893496 CC1=CC=CC=C1OCC(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C 1 2.053 2 4 -8.84891587106345 893490 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)NC3=NC=CS3 1 1.502 5 1 0 -2.60680103936568 893489 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N 1 1.287 2 5 0 -7.71024778423954 893486 CC1=NC2=C(O1)C=CC(=C2)NC(=O)NCC3=CC4=C(C=C3)OCO4 1 2.084 3 4 0 -6.57085175355529 893483 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=CS2 1 1.304 3 2 0 -7.15456916611197 893481 C1=CC=C(C=C1)CC2=CC(=O)N3C(=N2)C(=CN3)C#N 1 0.71 4 1 0 -8.36384401266439 893480 CC1=CC(=NC(=N1)N(CC2=CC=CC=C2Cl)C#N)C 1 2.86 4 0 0.220122762690523 893479 C1=CC=C(C=C1)C2=CC=C(N2NC(=S)N)CCC(=O)O 1 2.88 3 2 -6.87435749166965 893472 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2CCCCCC2 1 2.746 1 5 -14.0433551412761 893471 CC(=O)NC1=CC(=CC=C1)N(C)S(=O)(=O)C 1 6.7e-002 2 3 0 -8.2252689499482 893468 CC1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br 1 2.47 1 2 -13.132293501801 893460 C1=CC(=CC(=C1)COC2=C(C=C(C=C2)CO)Cl)C(=O)O 1 3.086 0 4 -2.51270231077452 893444 CCCN1C(=CC=C1C2=CC=C(C=C2)OC)CCC(=O)O 1 3.786 1 3 -6.54951065394335 893436 C1=CC(=CC(=C1)OCC2=CC=C(C=C2)C(=O)O)CO 1 2.422 0 4 -3.23995251518943 893435 CC(=O)NC1=CC(=CC=C1)OC2=CC3=C(C=C2)C(=O)NC3=O 1 1.337 2 4 0 -4.77014736248319 893431 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCC3=CC=CC=C3C2 1 2.151 2 3 -13.4678204789452 893415 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCCC2 1 0.954 2 3 0 -10.1168522518085 893413 C1=CC2=C(C(=C1)S(=O)(=O)CCC(=O)O)N=CC=C2 1 1.272 1 4 0 -14.7150511449677 893410 CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC=CS2 1 2.645 1 2 -0.195914325516545 893405 CCC(CC)C(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2 1 4.442 2 2 4.56318040551178 893404 CCCN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC=NC=C3 1 1.083 5 2 0 -15.0397711220897 893403 CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC=CS3 1 0.644 3 3 0 -12.5170674390549 893397 COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CN=CC=C2 1 1.134 2 4 0 -4.6181834746209 893394 CCCN1N=C(N=N1)NC(=O)COC2=CC=CC=C2Cl 1 2.563 5 2 0 -9.42558495106644 893389 C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)C3=CC=CS3 1 2.568 2 2 -8.85181281655206 893388 CCCN1N=C(N=N1)NC(=O)COC2=CC=C(C=C2)CC 1 2.841 5 2 0 -8.86658678945024 893386 CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NC)S(=O)(=O)C 1 2.224 2 3 -14.4203736195163 893383 C1CCC(C1)NS(=O)(=O)C2=CC=C(S2)Br 1 2.497 1 2 -6.0206885328635 893374 COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)C(=O)O 1 2.976 1 4 -5.51837367719789 893372 CCCN(CC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)N(N=N3)C 1 3.419 5 1 -7.00267192578738 893369 C1CC1C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=CS3 1 1.49 3 2 0 -8.62151485648412 893368 CC1=CC=C(C=C1)SCCC(=O)N2CCCC2 1 2.832 1 1 -6.32827125810278 893367 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl 1 3.314 1 3 0.485789456278537 893362 CN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.569 2 4 0 -10.6193853574221 893361 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)NC3=CC(=CC=C3)OC 1 2.488 4 2 -0.944299877320478 893355 CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C 1 2.704 2 3 -11.6689026579443 893353 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(=O)C 1 2.245 4 2 -4.38321211989043 893348 CC1=CC=C(C=C1)SCCC(=O)NC2=CC=CC=C2OC 1 3.726 1 2 -8.04058773042891 893346 C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)O 1 2.262 2 3 -3.15330893527993 893345 CC1=CC(=CC=C1)NCC2=CC=CC=C2OCC3=CC=CC=C3F 1 5.481 1 1 0.414551970193765 893344 CN1C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)N=N1 1 2.998 5 1 -0.496757017309655 893343 CCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N(N=N3)C 1 2.666 5 2 0 -4.20530616109702 893341 CCCN1N=C(N=N1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.581 5 1 -5.48517689517481 893329 CCOC(=O)CN1C(=CC=C1C2=CC=C(C=C2)F)CCC(=O)O 1 3.191 1 4 -9.31803850586006 893328 C1CN(CCC1C(=O)N)C(=O)COC2=CC=CC3=C2N=CC=C3 1 0.739 3 3 0 -11.4192924602097 893319 CN(C1=CC=CC(=C1)NC(=O)CC2=CC=CC=C2)S(=O)(=O)C 1 1.766 2 3 0 -9.97569763361778 893318 CCCN1N=C(N=N1)NC(=O)C2=CC(=CC=C2)OCC 1 2.395 5 2 0 -10.4896748230428 893311 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)N(CC=C)C3=CC=CC=C3 1 3.327 4 1 -5.7155057521618 893294 COC(=O)COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2 1 1.197 1 6 0 -12.1358092833721 893292 CCOC(=O)C1CCN(CC1)C(=O)NC2=CC3=C(C=C2)N(C(=N3)C)C 1 1.81 4 3 0 -6.99740477652344 893290 CC1=NC2=C(O1)C=CC(=C2)NC(=O)NCC3=CC=CO3 1 1.498 3 3 0 -6.88924658665108 893282 C1=CC=C(C(=C1)CSCC(=O)NC2=CC=C(C=C2)C(=O)O)Cl 1 3.309 1 3 -11.5612066557294 893278 CCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N(C(=N3)C)C 1 2.837 4 2 -1.84771894994592 893275 CS(=O)(=O)N1CCC(CC1)C(=O)N2CCC3=CC=CC=C3C2 1 0.914 2 3 0 -18.9730397692282 893266 CNC(=S)NC1=CC=CC(=C1)C(=O)O 1 2.142 2 2 -9.88728163538735 893258 C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=C(S3)Cl 1 0.944 4 2 0 -5.34980507317004 893253 CCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=CS2 1 2.696 6 1 0 -12.1508428062456 893249 CC1=C(C=C(C=C1)NCC2=CC(=CC=C2)OC)Cl 1 4.356 1 1 0.374722051780137 893246 CC1=NC2=C(N1C)C=CC(=C2)NC(=O)N3CCCC3 1 1.595 4 1 0 -3.46799500761459 893245 CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2CC2 1 1.27 1 5 0 -15.5794957365733 893243 CCCN1N=C(N=N1)NC(=O)CC2=CC=CC=C2 1 2.098 5 1 -9.89537245988884 893238 COC1=CC(=C(C=C1)C2=NC(=NO2)C3=CC=CC=C3)OC 1 3.112 2 3 6.30345628154853 893235 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCCC2 1 1.177 2 4 0 -17.2943653694404 893229 CC1=CC(=C(C(=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)C)C 1 3.555 3 2 -2.21383398461398 893225 CC(C)(C(=O)NC1=CC=NC=C1)OC2=CC=C(C=C2)Cl 1 2.759 2 2 -1.07060665982417 893218 CC(=O)NC1=CC=CC=C1C(=O)OCC(=O)C2=CC=CC3=CC=CC=C32 1 2.97 1 4 -11.1447130229076 893207 CC1=C(C(=CC=C1)OCC(=O)NC2=CC=NC=C2)C 1 2.271 2 2 -2.99293894381285 893200 CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 1.764 2 5 0 -12.7447782733373 893172 CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)Br 1 3.137 1 3 -6.5191294139451 893158 CC1=CC=CC=C1C2=NNC(=S)N2C 1 2.588 3 0 -2.45795909628233 893153 CCCN1N=C(N=N1)NC(=O)C2=CC=CC=C2Cl 1 2.727 5 1 -8.89314738684334 893152 CCOC(=O)C1=C(C=C(C=C1)N2CC3=CC=CC=C3C2)O 1 3.291 1 3 -0.93975848205403 893150 CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2OC)OC 1 2.771 1 4 -4.16417517740316 893149 CC1=CC=CC=C1CSCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 3.379 2 4 -15.1468394212013 893142 CC1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)N3CCCC3 1 2.252 4 1 -13.0576858768351 893136 C1CCN(C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3 1 2.304 4 1 -6.71437176314031 893130 C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC=CC=C4 1 4.169 2 1 -6.62931791332587 893129 COC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C 1 0.61 2 4 0 -12.797091794459 893128 C1=CC=C(C=C1)NCC2=CC=CC=C2OCC3=CC(=CC=C3)F 1 4.994 1 1 6.62002025566125e-002 893122 COC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=CC(=C2)[N+](=O)[O-] 1 2.199 2 6 0 -12.345002208778 893116 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.758 3 5 0 -11.932309981516 893114 CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NCC2=CN=CC=C2 1 3.52 3 2 -16.1471300996399 893110 C1CC2=C(C1)N=C3C(=C2C4=CC=CO4)C(=C(S3)C(=O)N)N 1 2.264 3 2 -3.00535175562928 893108 C1CCC(CC1)NC(=O)C2=CC=C(O2)COCC(F)(F)F 1 3.18 1 3 -8.87545509102953 893103 COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=CC=CC=N2 1 3.221 2 3 -8.71845397004957 893102 C1CCN(C1)C2=CC=C(C=C2)NCC3=C(C=CC=C3Cl)Cl 1 5.174 2 0 -0.298049808199385 893099 CC(=O)C(=C(N)N1CCN(CC1)C2=CC(=CC=C2)Cl)C(=O)C 1 1.815 3 2 0 5.29021265059244 893090 COC1=CC=CC=C1N2C(=NNC2=S)CC3=CC=CS3 1 3.65 3 1 -8.50718887333134 893089 CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CN=CC=C2 1 2.372 3 2 -14.3349578029232 893088 C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)C4=CC=CC=C4 1 2.678 3 3 -10.2876682416874 893083 COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)NCC3=CC=CO3 1 2.827 1 5 -14.0403328246509 893068 CN1CCN(CC1)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 3.672 4 1 -1.03329311350832 893064 C1CN(CCN1C=O)C(=O)C2=CC=CC=C2Cl 1 1.046 2 2 0 -6.08599094260268 893060 C1CCC(C1)NC(=S)NCCN2CCOCC2 1 1.886 3 1 0 -12.0768923477535 893056 CC1=CC(=C(C(=C1C(=O)C)C)CSC2=CC=CC=N2)C 1 4.542 1 1 -7.09257440434875 893055 CCOC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)N3CCCC3 1 3.604 1 3 -5.40829099560275 893054 CCOC(=O)C1=NN(C(=C1N)C#N)C2=CC=CC=C2 1 2.112 4 2 -5.83848033608265 893048 CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3)C 1 3.799 2 1 -5.34818887719037 893047 C1=CC(=CC=C1CC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O)Cl 1 2.14 2 3 -7.41738436106527 893043 C1CC2=C(C1)N(C(=O)NC2=S)C3=CC=CC=C3 1 2.782 2 1 -8.02579531035468 893042 CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=C(C=C3)N 1 1.737 5 1 0 -10.8627502383615 893041 C1CCC(C1)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3 1 4.604 3 0 -3.38229403819495 893036 C1=CC(=CN=C1)NC(=O)C2=CC=C(C=C2)COCC(F)(F)F 1 2.275 2 2 -7.81695200450593 893035 CC1=C(C=C(C=C1)OCC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)C 1 4.01 2 2 -9.79662423911261 893030 CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CC=C3 1 1.654 2 3 0 -14.2143692251115 893028 C1CCC(=CC1)CCNC(=O)CN2C(=CC(=N2)C(F)F)C3CC3 1 3.652 3 1 -18.1423868857299 893024 CC(C)(C)C(=O)NC(=S)NC1=CC2=C(C=C1)C(=O)N(C2=O)C 1 2.68 3 3 -18.6959070412964 893022 C1=CC=C(C(=C1)OCC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O)Cl 1 1.94 2 4 0 -9.58441044760929 893021 CN1C=C(C(=N1)C(=O)NC2=NC=CS2)Cl 1 1.354 4 1 0 -5.47938426573684 893017 CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3F 1 3.483 2 1 -2.56520341070562 893013 COC1=CC(=CC(=C1)NC(=S)N2CCC3=CC=CC=C3C2)OC 1 4.673 2 2 -15.1656937180094 893012 C1CCC(C1)NC(=S)N2CCN(CC2)CCO 1 2.013 3 1 -6.96277804464767 893010 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.271 3 5 0 -12.9257138472769 893006 COC1=CC=C(C=C1)NC(=O)CS(=O)(=O)C2=CC=CC=C2 1 1.975 1 4 0 -9.60541064442326 893001 CC1=CC=CC(=C1)C2=NOC(=N2)C3=CC4=C(C=C3)OCO4 1 3.399 2 3 9.66441601426814 893000 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 0.27 3 3 0 -22.1211323339587 892999 CC1=CC(=NN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl)C 1 3.017 2 4 -9.18871080281667 892997 CCN1C(=CC=N1)C(=O)NC2=C(C=C(C=C2)Cl)Cl 1 3.233 3 1 -7.75396515106915 892993 CCN1C=CC(=N1)C(=O)OC2=CC=C(C=C2)Cl 1 3.353 2 2 -6.89365976696963 892992 CCN(CC)C(=O)C1=CC=C(C=C1)COC2=CC=CC=C2Cl 1 4.173 1 2 -8.34329121088543 892984 C1COCCN1CC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 2.41 2 2 -6.08583676381603 892983 CC1=CC(=NC(=C1C#N)OC2=CC=C(C=C2)OC)C 1 3.41 2 2 -1.85231484656039 892982 CC1=CC(=NC(=C1C#N)N2CCCC2)C 1 2.489 3 0 -3.45994639750451 892979 C1CCN(CC1)NC(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Cl 1 3.9 2 2 -4.06685138669148 892978 CC1=NC2=CC=CC=C2C3=C1C(=O)N(C3=O)CCC4=CCCCC4 1 3.658 2 2 -5.59102305661869 892977 C1CCC(C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.669 3 2 -15.0912587124368 892976 CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=CC=C3C 1 2.492 3 3 -1.56271536023181 892974 CN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC(=CC=C3)N 1 2.579 5 1 -12.528640787125 892972 COC1=CC=C(C=C1)C(=O)NC(=S)NCCN2CCOCC2 1 1.721 3 3 0 -13.0375279459653 892962 C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)C3=CC=CO3 1 1.743 1 5 0 -4.46571634797411 892959 C1COCCN1C(=O)NC2=CC=C(C=C2)O 1 0.597 2 3 0 -5.09100630524898 892951 CC(=O)CSC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 2.245 3 2 -20.5766195618672 892947 C1=CC(=CC(=C1)Cl)C2=NN(C=C2C=O)CCC(=O)O 1 2.58 2 3 -1.25677557264205 892945 CSC1=CC=CC(=C1)NC(=O)/C=C/C2=CC=CC=C2 1 3.624 1 1 -1.81432798024052 892943 CC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CC=CS3 1 2.344 3 1 -1.14284379031937 892929 CSC1=CC=CC(=C1)NC(=O)NC2=CC=CC=C2 1 3.064 2 1 -0.776851891382984 892928 COC1=CC=CC=C1/C=C/C(=O)NCC2=CN=CC=C2 1 1.922 2 2 0 -8.70127846623269 892922 C1=CC=C(C=C1)CCNC(=S)NC(=O)C2=CC(=CC=C2)Cl 1 4.48 2 1 -8.07181160892865 892914 CC1(CC(=C(C(=O)C1)C(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)OC)C 1 4.051 1 3 -9.41022148955696 892904 CC1=C(C=C(C=C1)N2C=CC=C2C=NN3C=NN=C3)Cl 1 3.363 5 0 2.93682932690892 892902 CC(=NN1CCN(CC1)C2=CC=CC=N2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.456 5 2 0 0.113861653754262 892901 COC1=CC=C(C=C1)C(=O)NC(=S)NCCC2=CC=CC=C2 1 3.8 2 2 -10.8602970356927 892883 C1=CC=C(C=C1)/C=C(\C=NN2C(=NNC2=S)C3=CC=NC=C3)/Cl 1 3.325 5 0 -3.95392007373147 892863 CN1C(=O)C=CC(=N1)OC2=NC(=NC(=N2)N(C)C)OC 1 0.885 6 3 0 -9.90619271903105 892862 C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC=C(O2)Br 1 3.458 2 2 -10.7538372900833 892857 COC1=CC=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O 1 2.332 1 5 -5.79019192042604 892852 CCOC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2OC 1 2.371 1 4 -8.63739278442301 892850 CC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CC=CO3 1 1.786 3 2 0 1.87707256727328 892835 CSC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2 1 3.55 1 1 -4.44478674213381 892833 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCOCC2 1 0.386 2 4 0 -11.7747155980535 892830 CC1=C(SC=C1)C=NN2C(=NNC2=S)C3=CN=CC=C3 1 3.036 5 0 -4.60936792416015 892826 CC1=C(C(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4)C 1 4.643 2 2 -0.116499532523826 892823 COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.087 1 5 -9.14333615932886 892813 CCC1=CC=C(C=C1)NC(=O)CN(C2=CC=CC(=C2)C)S(=O)(=O)C 1 3.012 2 3 -12.234232729166 892812 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=CC=CC=C3Cl 1 3.067 1 3 -5.66839923239051 892808 C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)Br 1 3.729 2 2 -9.29503472689405 892794 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)[N+](=O)[O-] 1 4.103 5 2 0 -5.99342474986117 892789 C1COCCN1CCNC(=S)NC(=O)C2=CC(=CC=C2)Cl 1 2.402 3 2 -10.1516482926765 892765 CSC1=CC=CC(=C1)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 4.288 1 1 0.277008753955437 892763 CCC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3CCCCC3 1 5.151 4 0 -3.72701503536931 892762 CN(C)CCNC(=S)NC1=CC=C(C=C1)Br 1 3.399 3 0 -5.53712372113801 892736 CC1=CC=C(C=C1)CN2N=C(N=N2)C3=CC=C(C=C3)SC 1 4.116 4 0 4.54956460147451 892734 C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CN=CC=C3 1 2.432 5 1 -4.74712113117515 892732 COC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCC3 1 2.473 2 3 -12.1294081095759 892728 CCOC(=O)CN1C(=CC(=O)C2=C1C(=CC=C2)C)C 1 2.622 1 3 -5.83723731246454 892723 CC1=CC(=CC(=C1)N2CN=C3N(C2)C(=O)C(=CC4=CC=CO4)S3)C 1 4.37 3 2 -12.7332111968488 892711 COC1=CC=CC=C1/C=C/C(=O)N2CCCC2 1 2.156 1 2 -5.1790259641492 892710 CC1=CC=C(C=C1)OC(=O)C2=CC(=O)C3=CC=CC=C3O2 1 3.536 0 4 -5.93818216319452 892697 CC1=CC=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)OCCO3 1 3.28 1 3 -9.11069973306581 892696 C1=CC=C(C(=C1)NC(=S)NCC2=CC=CS2)Cl 1 4.5 2 0 -8.84852339841897 892691 C1CN(CCN1C(=O)C2=CC=CO2)C(=S)NC3=CC=CC=C3Cl 1 3.989 3 2 -10.6702335192541 892689 CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(N1C)C(F)(F)F 1 1.588 3 2 0 -5.47425204067261 892680 CCC1=CC=C(C=C1)N(CC(=O)NC)S(=O)(=O)C 1 0.949 2 3 0 -13.3539596842125 892669 C1=CC=C2C(=C1)C=CC=C2CSCC3=NC4=CC=CC=C4N3 1 4.579 2 0 -0.367997661162504 892666 C1=CC(=CC(=C1)[N+](=O)[O-])C=NN2C(=NNC2=S)C3=CN=CC=C3 1 2.491 6 2 0 -6.74619484708409 892665 CC1=CC(=O)C2=CC=CC=C2N1CC(=O)NCC3=CC=CC=C3 1 2.723 2 2 -10.0729093691344 892663 CC1=CC=CC=C1NC(=O)CN2C(=CC(=O)C3=C2C(=CC=C3)OC)C 1 3.186 2 3 -9.50478617206798 892662 CCOC(=O)CN1C=C(N=C1)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.82 3 4 0 -4.84167205423536 892661 C1CCN(C1)C(=S)C2=CC=C(C=C2)OC(=O)CC3=CC=C(C=C3)F 1 4.8 1 2 -7.84711787530617 892660 CC1=CC=C(C=C1)C=NN2C(=NNC2=S)COC3=CC=CC=C3 1 4.068 4 1 -4.66414342271204 892647 C1CCC(C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3 1 2.872 3 2 -11.9705176583008 892640 CCOC(=O)C1CCN(CC1)C(=S)NC2CCCC2 1 3.272 2 2 -14.6497449227807 892638 CN(C)CCNC(=O)C1=CC=C(C=C1)COCC(F)(F)F 1 1.988 2 2 0 -7.83929000670602 892637 CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)C 1 3.845 2 1 0.747531295748983 892634 CCCN1C(=NN=N1)NC(=O)CSC2=CC=C(C=C2)Cl 1 2.397 5 1 -16.0224051695786 892632 CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)OC 1 3.506 2 3 -13.4524330563549 892627 COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3Cl)OC 1 3.776 2 3 4.86188744553053 892623 CCN1C(=C(C=N1)Cl)C(=O)NC2=CC=NC=C2 1 1.418 4 1 0 -4.87613833037586 892621 COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC(=CC=C3)O 1 3.403 3 3 -1.40579338180258 892618 C1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 3.122 3 2 -14.3407820098269 892616 CC1=CC=C(C=C1)C(=O)N2C=NN=C2N 1 1.129 4 1 0 -2.4498919130899 892613 C1=CC=C(C=C1)CCC2=NC(=NO2)C3=CC=C(C=C3)Br 1 4.384 2 1 2.30121038695154 892611 C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=NN3C4=CC=CC=C4 1 2.717 5 1 -24.9360106893469 892607 COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=N2 1 2.252 2 3 -12.9068573005919 892602 C1CCC(C1)NC(=S)NCCC2=CNC3=CC=CC=C32 1 4.258 3 0 -12.470001982426 892597 CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)NC2CCCCCC2 1 2.328 2 3 -15.2268342965523 892596 CC1=CC(=NC(=C1C#N)NC2=C(C=C(C=C2)OC)OC)C 1 3.383 3 2 -5.86741775521037 892592 CCN1C(=C(C=N1)Br)C(=O)NC2=C(C=C(C=C2)F)F 1 3.064 3 1 -4.29618708374802 892591 CC1=C(C(=CC(=C1C)Br)C(=O)OC2CCN(CC2)C)C 1 4.003 1 2 -3.19632692129977 892589 CC1=NN=C(S1)SCC2=CC(=C(C=C2)Cl)Cl 1 4.018 2 0 -8.96805783400551 892585 C1CCC(CC1)NC2=C(N=C(O2)C3=CC=CC=C3F)C#N 1 3.956 3 1 -2.05646955565628 892584 CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3 1 2.735 5 2 0 -9.49297690796695 892583 CC1=CC=C(C=C1)C2=CC=C(N2NC(=S)N)CCC(=O)O 1 3.366 3 2 -6.39984107535445 892578 CN(C)C1=CC=C(C=C1)CNN2C=NN=C2 1 0.653 5 0 0 -3.83103804547466 892575 C1COCCN1CCNC2=C(N=C(O2)C3=CC=CC=C3F)C#N 1 1.924 4 2 0 -3.39245586871787 892569 C1CCC(C1)NC(=S)NN2CCOCC2 1 1.39 3 1 0 -9.03657306276073 892565 COC1=CC=C(C=C1)C2=NN=NN2CCC3=CC=CC=C3 1 2.953 4 1 -9.6526767053276 892559 C1=CC=C(C=C1)CCNC2=C(N=C(O2)C3=CC=CC=C3F)C#N 1 4.003 3 1 -0.880493112105039 892552 C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)NC3=O)NC(=O)C4=CC=CO4 1 2.396 2 5 0 -4.24376058538563 892549 CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CS2 1 2.839 3 2 -11.1214781419841 892542 C1=CC=C(C=C1)CNC2=NC(=NC(=N2)N)C3=CC=CC=C3 1 2.78 5 0 3.37970831605328 892537 COC1=CC(=C(C=C1NC(=S)NCC2=CN=CC=C2)OC)Cl 1 3.576 3 2 -14.4211316575906 892536 CCOC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=CC=C3Cl)C#N 1 4.631 3 2 1.20755409330878 892534 CC1=CC(=CC(=C1)NC(=O)CS(=O)(=O)C2=CC=CC=C2)C 1 2.964 1 3 -9.58120843410919 892531 COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3 1 2.783 5 1 -7.28573374322632 892528 C1C(=O)N(C(=S)N1C2=CC=C(C=C2)F)C3=CC=CC=C3 1 4.129 2 1 -4.57287242095827 892525 CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)C3=CN=CC=C3 1 2.719 4 1 -6.46632384899258 892523 C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O 1 3.308 3 2 -5.95317655409818 892521 CCOC1=CC=C(C=C1)C(=S)N2CCN(CC2)C 1 2.957 2 1 -1.63103902501642 892519 CC(C)NC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)C(C)(C)C 1 4.205 1 3 -9.05683285883859 892508 CCN(CC)C(=O)C1=CC=C(O1)COC2=CC(=C(C=C2)Cl)C 1 4.132 1 3 -7.06133326500948 892503 C1=CN(N=C1)C(=O)C2=CC=C(O2)CN3C=C(C=N3)Br 1 2.383 4 2 -0.922809514374761 892498 COC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Cl 1 3.169 1 3 -9.92932272316722 892497 CC1=CC=CC(=C1)C2=NC(=C(O2)N3CCCCC3)C#N 1 3.649 3 1 1.97893155704295 892492 C1=CC=NC(=C1)SCC2=C(C=CC=C2Cl)[N+](=O)[O-] 1 3.902 2 2 -6.49252529968998 892486 CCN1C(=C(C(=NC1=S)NCC2=CC=CC=C2)C(=O)C)C 1 3.014 3 1 -7.00791172908502 892477 C1=CC=C(C(=C1)C2=NC(=C(O2)NCC3=CC=CO3)C#N)Cl 1 3.322 3 2 -0.821629729007457 892472 COC(=O)C1=CC=CC=C1NC(=O)CN2CCCCC2 1 1.729 2 3 0 -11.7031868638487 892466 CC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CS3 1 3.234 2 3 -7.18869357479454 892465 CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=C)C)N)C#N 1 4.378 4 0 -10.2607273981492 892464 C1=COC(=C1)CNC2=C(N=C(O2)C3=CC=CS3)C#N 1 2.611 3 2 -5.77438565808763 892463 CC1=CC=C(C=C1)C2=C3C(=C(SC3=NC4=C2CCC4)C(=O)N)N 1 3.356 3 1 -2.94250992533553 892462 CN(C)CCNC1=C(N=C(O1)C2=CC=C(C=C2)OC)C#N 1 2.015 4 2 0.265736997396016 892459 CC1=C(C(=NN1)C)CC2=CC=C(C=C2)C(=O)O 1 2.306 2 2 -3.78504032753877 892458 C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 2.971 2 3 0.642602885997244 892452 C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)NC3=CC(=CC=C3)Cl 1 2.846 2 3 -2.05065522275168 892451 CCN1CCN(CC1)C(=S)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.492 2 0 1.10439083438257 892450 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)O 1 1.583 2 4 0 -17.5570730775055 892446 C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 3.075 3 2 -13.502168739564 892445 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CC2CCCCC2)OC 1 3.144 1 5 -15.6537238477957 892442 COC(=O)COC1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 1.7 1 5 0 -9.21773906333169 892441 CCN1C(=CC=N1)C(=O)NC2=CC=CC=C2OC 1 1.888 3 2 0 -13.1181994590675 892437 C1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=CC=C3F)C#N 1 3.681 3 1 -2.06997574253322 892433 CC1=CC=CC=C1C2=NC(=C(O2)NCC3=CC=CO3)C#N 1 3.144 3 2 -1.28799655929822 892432 CN1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl 1 2.379 6 0 9.64606458691855 892424 CCOC(=O)C1CCN(CC1)C(=O)COC2=CC=CC(=C2)C 1 2.241 1 4 -8.27633394544379 892423 CN(CC(=O)O)S(=O)(=O)C1=C(C=CC(=C1)Cl)Cl 1 1.757 1 4 0 -6.09635235722861 892422 CC1=NN=C(S1)SCC2=C(C=CC=C2Cl)[N+](=O)[O-] 1 3.248 3 2 -12.71156204093 892421 C1OC2=C(O1)C=C(C=C2)C3=NC(=NO3)C4=CC=NC=C4 1 1.762 3 3 0 6.04217944660176 892414 CC(C)(CO)NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 2.61 1 2 -11.1277788999112 892410 CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)C 1 5.561 3 0 -7.98860431998159 892409 C1CCC2=C(C1)C(=C3C(=C(SC3=N2)C(=O)N)N)C4=CC=CO4 1 2.721 3 2 -3.31416187651395 892408 CC(=O)C1=CC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC=C2 1 1.323 2 4 0 -12.8800842135343 892407 C1C2CC3CC1CC(C2)C3NC(=O)C4=CC5=C(C=C4)OCO5 1 3.063 1 3 -5.22925240261008 892402 C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=CSC(=N3)N 1 2.515 3 2 5.70551351536357 892399 CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)F 1 2.784 1 4 -4.47904642307098 892397 CN(C)CCNC1=C(N=C(O1)C2=CC=CC=C2F)C#N 1 2.237 4 1 -1.10775581709227 892396 C1COCCN1C2=C(N=C(O2)C3=CC=CS3)C#N 1 1.887 3 2 0 -7.62155350926626 892392 CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)CC4=CC=CC=C4 1 3.313 2 2 1.14263424598372 892391 CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CN=CC=C3 1 2.836 2 4 -6.25274006580296 892390 C1CN(CCN1C=O)C(=O)C2=CC3=C(C=C2)OCO3 1 0.15 2 4 0 -6.4379116580747 892383 C1=CC=C(C(=C1)C(=O)N2C=NN=C2N)Cl 1 1.307 4 1 0 -3.23777272827608 892382 CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C 1 1.569 2 3 0 -10.1427400261181 892378 CCCC(=O)NC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OCO3 1 2.626 2 4 -15.7933460370699 892376 C1CCN(CC1)C2(CCN(CC2)C(=S)NC3CCCC3)C(=O)N 1 2.547 4 1 -13.3586304511085 892375 CN1C=C(C(=N1)C(=O)NC2CCCCCC2)Cl 1 3.095 3 1 -5.63693709360538 892370 CCOC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)N3CCOCC3 1 2.831 1 4 -7.33105595954642 892367 C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=CO3 1 2.802 2 3 -1.71313454906381 892366 CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)C 1 5.561 3 0 -7.17553277359152 892364 C1CCC(C1)NC(=S)N2CCOCC2 1 2.283 2 1 -12.099975484117 892359 C1=CC(=CC(=C1)Br)CNN2C=NNC2=S 1 2.198 4 0 -4.11103146163275 892357 CCOC(=O)C1=C(C(=NN1C2=CC=CC=C2)C(=O)OCC)N 1 2.438 3 4 0 -3.95587270077408 892356 C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=C(C=C3)Cl)F 1 4.015 2 1 8.93861172597456 892344 CC(C)(C)C1=CC=C(C=C1)CCC(CC(=O)O)CC(=O)O 1 3.693 0 4 -1.18775533045991 892343 CC1=C(C=C(C=C1)C(C)C)S(=O)(=O)NCC2=CN=CC=C2 1 2.854 2 2 -4.59279413170129 892339 C1C(=O)C(=C(N1C2=CC=CC=C2)N)C3=NC4=CC=CC=C4N3 1 2.59 4 1 -3.14547656619444 892336 CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)N2CCOCC2 1 -9.3e-002 2 4 0 -13.3081295053144 892323 CC1=C(C(=CC=C1)C)NC(=O)C2CCN(CC2)S(=O)(=O)C 1 1.599 2 3 0 -12.5882664174791 892319 C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.8 3 2 -13.8046424421455 892318 CC(=O)C1=CC=CC=C1OC(=O)CCN2C(=O)C3=CC=CC=C3C2=O 1 2.134 1 5 -12.3048916278919 892315 CC1=C(C=CC=C1Cl)NC(=O)CS(=O)(=O)C2=CC=CC=C2 1 3.143 1 3 -8.03389964667032 892312 C1=CC=C(C(=C1)CSC2=CC=CC=N2)C#N 1 3.222 2 0 -7.19824169599703 892310 CCOC(=O)N1CCN(CC1)C(=S)NC2=C(C=C(C=C2)C)C 1 4.229 3 2 -12.9757403740744 892305 COC1=CC=C(C=C1)NC(=O)CN2CCCC2 1 1.401 2 2 0 -4.65432634528508 892301 CCOC(=O)N1CCN(CC1)C(=O)CCC2=CC=CC=C2 1 1.943 2 3 0 -7.90699489180809 892300 CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 4.565 3 1 -6.1244369074875 892299 C1CN(C2=CC=CC=C21)C(=O)CSC3=CC=CC=N3 1 2.677 2 1 -14.1898564577509 892293 C1CCC(C1)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 5.474 2 1 -5.32759083606165 892291 C1OC2=CC=CC(=C2O1)CNC3=C(N=C(O3)C4=CC=CC=C4F)C#N 1 3.45 3 3 1.77010931930724 892286 C1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2N 1 1.26 4 1 0 -4.75703785627922 892285 C1CCC(C1)NC(=O)C2=CC=C(O2)COCC(F)(F)F 1 2.724 1 3 -8.52098657686145 892280 CN(CC(=O)NC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC=C2 1 1.566 2 4 0 -10.6246922730325 892271 C1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC=C(C=C2)Cl 1 2.656 1 3 -7.3704457446923 892269 C1CN(CCN1CC2=NC(=NO2)C3=CC=CC=C3)C4=CC=CC=C4 1 3.116 4 1 8.08341473054657 892265 CN(CC(=O)NC1CCCCCC1)S(=O)(=O)C2=CC=CC=C2 1 2.321 2 3 -13.1409507604602 892262 CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)Cl 1 1.777 2 3 0 -9.47144603643032 892256 CC1=CC(=C(C=C1)F)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl 1 4.204 3 1 -7.68056038288483 892255 COC(=O)C1=CN(C2=CC=CC=C21)C(=O)C3=CC=CC=C3Cl 1 4.297 1 3 -2.38081922024229 892251 CCN1C(=C(C=N1)Br)C(=O)NC2=CC=CC(=C2)C(=O)C 1 2.393 3 2 -7.26752843980435 892247 C1COCCN1C2=CC=C(C=C2)/C=C(\C#N)/C3=CC=CC=C3 1 3.505 2 1 -7.10606123873501 892243 CC1=CC=CC(=C1)C2=NC(=C(O2)N3CCCCCC3)C#N 1 4.106 3 1 1.97893155704295 892239 CC(C)CNC1=C(N=C(O1)C2=CC=CC=C2Cl)C#N 1 3.749 3 1 -1.22977808182551 892238 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=CSC(=N3)C 1 3.61 2 2 -2.57985141932155 892237 CC1=C(C(=CC(=C1C)Br)C(=O)NC2CCCCC2)C 1 5.103 1 1 -4.63846945093389 892234 CC1=CC(=O)N=C(N1)SCC(=O)NCCC2=CC=CC=C2 1 1.932 3 2 0 -22.648028256073 892222 CC(C)(C)NC(=O)C1=C2C=CC=C3C2=C(CC3)C=C1 1 3.478 1 1 -5.67870633544914 892221 CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3F 1 3.836 2 1 7.11661303538775 892218 C1=CC(=CC=C1CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)F 1 3.006 3 2 -12.2779505119007 892217 CCN(CC)C(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC 1 3.841 1 3 -8.69066281556449 892212 COC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl 1 2.976 3 3 -8.86044993145077 892211 C1OC2=C(O1)C=C(C=C2)NC(=O)CNS(=O)(=O)C3=CC=CC=C3 1 1.145 2 5 0 -13.7288694515689 892210 CCOC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)C(C)C 1 4.268 0 4 -3.87562269551184 892208 CCOC(=O)C1=C(N=C(C=C1C(F)(F)F)C2=CC=C(C=C2)F)C 1 4.26 1 2 0.701822081915156 892191 CCN1C(=C(C=N1)Br)C(=O)NC2=NC=C(C=C2)Cl 1 2.706 4 1 -2.88483706212442 892190 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CO2 1 3.542 3 4 0 -10.5408739716313 892189 CCOC1=CC=CC(=C1OCC2=CC=CC=C2)CNN3C=NN=C3 1 2.39 4 2 -4.97112960788886 892184 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CN=CC=C2 1 2.996 4 3 0 -12.9945987350588 892182 CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCCC3 1 3.077 1 4 -7.47954054597802 892179 CC(C)CNC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 5.264 2 1 -6.1819399203779 892173 C1CCN(C1)C(=O)CN2C(=CC(=N2)C(F)F)C3CC3 1 1.991 3 1 0 -9.95006003812483 892168 CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC(C)C 1 3.137 1 4 -12.8159285354702 892164 COC1=CC=CC=C1CNC2=CC=C(C=C2)N3CCCCC3 1 4.285 2 1 -1.74996774179221 892163 C1CCC(C1)NC(=S)NCC2=CC=C(C=C2)F 1 3.848 2 0 -7.76139602253651 892161 COC1=CC(=C(C=C1NC(=S)NC2=CC=CC=N2)OC)Cl 1 4.386 3 2 -8.58212792118962 892160 C1CCC(C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 3.613 4 0 -7.29796547775087 892149 CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3(CCCC3)C#N 1 3.716 2 3 -9.68782138844557 892148 C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 5.656 2 1 -6.2775645148595 892134 CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=CC(=N2)C)C)C#N 1 3.62 3 2 -8.37400936399455 892129 COC1=CC(=C(C=C1N2C(=NNC2=S)C3=CC=CC=C3)OC)Cl 1 4.31 3 2 -6.02753211053273 892123 CN1C=C(C(=N1)C(=O)NC2=C(C(=CC=C2)Cl)Cl)Cl 1 3.686 3 1 -4.3605613674555 892117 CC1=NC2=CC=CC=C2C3=C1C(=O)N(C3=O)C(C)C 1 2.057 2 2 -2.43307727752641 892116 C1COCCN1C2=C(N=C(O2)C3=CC=CC=C3Cl)C#N 1 2.598 3 2 -2.66879758018608 892112 COC1=CC=C(C=C1)C2=NC(=C(O2)N3CCCCCC3)C#N 1 3.603 3 2 -1.34013098243142 892104 CC1=NC2=CC=CC=C2C3=C1C(=O)N(C3=O)C4CCCCCCC4 1 4.102 2 2 -5.35638726139547 892093 C1CCN(C1)C2=CC=C(C=C2)NCC3=C(C=CC=C3Cl)F 1 4.715 2 0 -1.29608787486366 892092 CC1=NN=C(S1)SCC(=O)N2CCC3=CC=CC=C32 1 2.023 3 1 -20.7114361733763 892085 CCSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N 1 2.39 3 1 -8.58749110635631 892081 CCOC1=CC=C(C=C1)C2=NC(=C(O2)N3CCN(CC3)C)C#N 1 2.536 4 2 0.873051261874218 892077 CC(C)C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2 1 2.872 2 2 -6.44108447649133 892075 CCOC(=O)N1CCN(CC1)C(=S)NC2CCCC2 1 2.804 3 2 -11.6858472882587 892073 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)Cl 1 1.291 2 3 0 -8.08130319975222 892065 C1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)COCC(F)(F)F 1 2.906 1 3 -10.3488482028041 892063 CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3)C 1 5.038 4 0 -8.66329248058461 892061 CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CO3 1 0.835 2 4 0 -15.5530409948745 892054 C1CN(CCN1C2=CC=CC=N2)C(=O)COC3=CC=CC4=CC=CC=C43 1 3.005 3 2 -3.19984491449068 892052 CC1=C(C=CC=C1Cl)NC(=S)N2CCC3=CC=CC=C3C2 1 5.856 2 0 -9.16012397205366 892045 CC1=C2C(=O)C=C(NC2=NC(=N1)C3=CC=CC=C3)C(C)C 1 2.76 3 1 2.14034778312321 892037 C1CCC(C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N 1 2.348 3 2 -14.5551191447554 892036 CCCN1C(=NN=N1)NC(=O)C2=C(C=CC(=C2)Br)OC 1 2.071 5 2 0 -17.5337749841958 891984 CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)C 1 1.599 2 3 0 -10.1512167049792 891985 CCOC1=CC=C(C=C1)C2=NC(=C(O2)N3CCOCC3)C#N 1 2.266 3 3 -3.69544025685221 891987 C1=CC=C(C=C1)COC2=CC=C(C=C2)CNN3C=NN=C3 1 2.058 4 1 -2.14209198954932 891988 C1=CC=C(C=C1)N2C(=NNC2=S)C3=NC4=CC=CC=C4C=C3 1 4.293 4 0 -2.58907726042343 891989 CCN1C=CC(=N1)C(=O)NC2=CC(=CC=C2)Cl 1 2.706 3 1 -6.23771926801472 891996 CCN(CC)C(=O)C1=CC(=CC=C1)COC2=CC=C(C=C2)OCC 1 3.841 1 3 -8.29451743086667 892034 CN1C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)N(C1=O)C 1 2.484 3 3 -6.64812816143495 892033 CC(C)C(=O)NC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)NC3=O 1 2.466 2 4 -9.23230050292622 892027 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=CS4 1 3.361 5 0 3.27119101499455 892026 C1CCCC(CC1)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 6.387 2 1 -5.68205935022973 892020 CC(C)C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCOCC3)C#N 1 1.924 4 2 0 -8.19828034523472 892017 C1OC2=C(O1)C=C(C=C2)C3=NC(=NO3)C4=CC=CC=N4 1 2.191 3 3 5.15085889560521 892015 CC1=CC=C(C=C1)C2=NC(=C(O2)NCC3=C4C(=CC=C3)OCO4)C#N 1 3.73 3 3 3.65396256946445 892006 CC(C)CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OC 1 2.998 2 3 -11.7984762023968 892005 CC1=CC2=C(C=C1)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C 1 2.799 2 3 7.33126529831349 892003 C1CCC(C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.619 3 2 -13.1477002253959 891980 C1COCCN1C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 4.296 2 2 -10.4497697321318 891975 C1COCCN1C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CO3 1 1.776 2 4 0 -9.16802585197786 891968 CCN1C(=C(C=N1)Br)C(=O)NC2=NC=CS2 1 1.65 4 1 0 -6.77516959764504 891955 CN1C=C(C(=N1)C(=O)NCCC2=CC=C(C=C2)OC)Cl 1 2.669 3 2 -6.51858235341411 891954 CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=CC(=C2)C)C 1 4.696 2 2 -14.8860527868826 891947 C1=CC=C(C=C1)C2=C(C(=O)NC(=O)N2)C#N 1 0.575 3 2 0 -8.57801222954248 891946 CC1=NC2=CC=CC=C2C3=C1C(=O)N(C3=O)CC4=CN=CC=C4 1 1.764 3 2 0 -1.79994507726749 891945 CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 5.216 4 0 -4.74240659499675 891944 CCOC(=O)C1=CC2=CC(=CC(=C2OC1=O)OC)[N+](=O)[O-] 1 1.942 1 7 0 -12.275057541691 891940 CN(C)C1=C(N=C(O1)C2=CC=CC=C2Cl)C#N 1 2.91 3 1 3.28212929410781 891939 CC1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=CS3)C#N 1 3.916 3 1 -4.405591430375 891937 C1CCC(C1)NC(=S)NC2CCCC2 1 3.461 2 0 -5.64815428541858 891930 C1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CO3 1 3.005 2 3 -7.59972940220227 891929 C1=CC(=C(C(=C1)Cl)CNN2C=NNC2=S)F 1 2.32 4 0 -6.36221984189146 891927 CC(C)(C)NC(=O)C1=CC=C(O1)COCC(F)(F)F 1 2.253 1 3 -12.3711749198865 891922 CC1=CC=CC=C1C2=NC(=C(O2)N3CCCCC3)C#N 1 3.649 3 1 -1.54607828776407 891917 CCOC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=CS3)C#N 1 3.92 3 2 -3.74520183577139 891913 COC1=CC=CC(=C1OCC2=CC=CC=C2)CNN3C=NNC3=S 1 3.001 4 2 -7.31017525788325 891910 C1=CC=C2C(=C1)C(=O)N(C(=O)N2)NC(=O)C3=CC=CO3 1 0.999 3 4 0 -8.92188287228042 891903 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC2=CC=CC=N2 1 0.448 3 3 0 -16.9045606787298 891902 CCN1C=CC(=N1)C(=O)NC2=C(CCC2)C#N 1 1.456 4 1 0 -12.7829494714673 891895 CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C)(C)C 1 3.404 2 2 -18.190850431844 891892 CN1C(=C(C=N1)Br)C(=O)NC2=CC=CC=C2OC 1 2.288 3 2 -7.50350785486873 891890 COC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Br)N 1 3.157 4 1 0.402005073517131 891889 CC1=CC(=NO1)NC(=O)C2=CC=C(O2)COC3=CC(=C(C=C3)Cl)C 1 3.944 2 4 -12.7303486074347 891888 COC1=CC=C(C=C1)CNC(=S)NC2CCCC2 1 3.627 2 1 -8.8862392571459 891883 CN1CCN(CC1)C(=S)NC2=CC(=C(C=C2OC)Cl)OC 1 3.637 3 2 -12.3723292213654 891880 C1CCCN(CC1)C2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N 1 2.415 4 1 -7.36717033548879 891866 C1CCC(C1)NC(=S)NC2=CC=CC=N2 1 3.302 3 0 -5.88921176534632 891860 C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)C(=O)O)C(F)(F)F 1 4.44 2 2 -0.629099859541146 891859 C1CN(CCN1C2=CC=CC=C2)C3=C(N=C(O3)C4=CC=CS4)C#N 1 3.829 4 1 -2.98022373120315 891858 CC(C)OC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CCCCC3 1 4.331 2 2 -9.26912490563141 891856 CN1C=C(C(=N1)C(=O)NC2CCCC2)Cl 1 2.183 3 1 -5.2824685794373 891851 CN(CC(=O)NC1CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 1.825 2 3 0 -10.2321700790958 891850 C1CCN(C1)C2=C(N=C(O2)C3=CC=CC=C3F)C#N 1 2.913 3 1 -2.35915528275163 891848 C1CCC(CC1)N2C=NC3=CC=CC=C3C2=O 1 2.814 2 1 -3.21123514974375 891847 C1CCC(C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 4.889 3 0 -1.78367243936857 891846 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CS2 1 4.1 3 3 -11.5318742960108 891840 C1=CC=C2C(=C1)C(=O)N(C2=O)N3C(=O)C4=CC=CC=C4NC3=O 1 1.428 3 4 0 -6.53729197649802 891839 CC1=CC(=NN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C 1 3.459 2 2 -6.07448227740667 891832 CC1=C(C(=CC=C1)C)OCC(=O)NN2C(=O)C3=CC=CC=C3NC2=O 1 2.411 3 4 0 -11.2102525205193 891825 CC1=CC(=NC(=C1C#N)OC2=CC=CC=C2Br)C 1 4.174 2 1 -2.3617456165565 891823 COC1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CC=CO3)C#N 1 2.641 3 3 -0.98465502744078 891811 CCN1C=C(C(=N1)C2=NC3=CC=CC=C3C(=O)N2N)Br 1 2.177 5 1 -5.90918309989533 891810 COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC=CC=C3 1 3.645 3 2 -3.31552206298297 891805 CCN1C(=C(C=N1)Cl)C(=O)NC2=C(C=CC(=C2)Cl)Cl 1 3.898 3 1 -3.42691466392093 891803 CC1=CC=CC=C1N2C(=NNC2=S)C 1 2.5 3 0 -6.08369089403484 891802 CN(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2 1 1.477 3 5 0 -12.3651400248583 891798 COC1=CC(=C(C=C1)OC)NC(=O)CS(=O)(=O)C2=CC=CC=C2 1 1.959 1 5 0 -11.8537548607932 891796 CC1=CC(=C(C(=C1C)S(=O)(=O)NCC2=CN=CC=C2)C)C 1 3.118 2 2 -4.52711436692949 891785 COC1=CC=CC=C1NC(=O)CNS(=O)(=O)C2=CC=CC=C2 1 1.361 2 4 0 -14.4724276308747 891783 COC1=CC(=C(C=C1C=O)OC)N2CCCC2 1 2.179 1 3 -1.88743856775808 891782 COC1=CC=C(C=C1)C(=O)NCC(=O)NC2=NCCS2 1 1.146 3 3 0 -18.0450332112477 891780 COC1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CC=CC=C3Cl)C#N 1 4.124 3 2 -0.465792207839603 891770 CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 3.936 3 2 2.85906766180371 891769 C1COCCN1CCNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 1.044 3 4 0 -13.5058406100808 891762 CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 0.521 3 5 0 -11.9593216247841 891761 C1CCN(C1)C(=O)CNS(=O)(=O)C2=CC=CC=C2 1 0.467 2 3 0 -11.0128618910447 891760 CC(C)C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCCCC3)C#N 1 3.153 4 1 -6.60919422252195 891756 CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2CC2)C 1 2.689 1 2 -5.28151710096271 891754 COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCC5=CC=CC=C54 1 3.392 5 1 0.131733918903969 891752 CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC3=C(C=C2)OCO3 1 3.517 1 4 -9.10855622600361 891747 CC1CCN(CC1)C2=C(N=C(O2)C3=CC(=CC=C3)C)C#N 1 3.901 3 1 0.570533363034021 891743 CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)F 1 3.483 2 1 -0.68878503300414 891740 CCN1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)OC)C#N 1 2.536 4 2 3.26185101313772e-002 891733 CN(C)CCNC(=O)CN1C(=CC(=N1)C(F)F)C2CC2 1 1.463 4 1 0 -13.1132762403258 891730 C1CN(CC2=CC=CC=C21)C(=S)NCCC3=CC=CC=C3 1 4.756 2 0 -13.0158664126947 891729 C1COCCN1C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3 1 3.119 3 1 4.62896938433697 891722 CCC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C 1 1.569 2 3 0 -11.3856787204276 891719 COC(=O)C1=CC=CC=C1OCC(=O)NC2CCCCC2 1 2.587 1 4 -11.1450186430243 891718 C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 2.329 2 2 -5.20765077208425 891716 CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CC3=CC=CC=C3 1 5.561 3 0 -7.0049049066976 891700 C1CCC(CC1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl 1 3.794 3 1 -10.5109412087737 891693 C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=CC=CC=C3Cl 1 3.054 1 3 -10.5911755246782 891692 C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)COCC(F)(F)F 1 2.614 1 3 -12.2593525831234 891690 CC(C)CC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2 1 3.117 2 2 -6.33414198687116 891684 CC1=CC(=NC(=C1C#N)OCC2=CC=C(O2)C(=O)OC)C 1 2.761 2 4 -9.78309951341623 891679 CCN1C=C(C(=N1)C(=O)NC2=C(C=C(C=C2)F)F)Br 1 3.201 3 1 -5.66120995555928 891673 CCN1C(=O)C2=C(C1=O)C3=CC=CC=C3N=C2C 1 1.68 2 2 0 -1.98284337642165 891670 CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC 1 3.261 2 2 -1.81362826761353 891668 C1CCC(C1)NC(=O)C2=CC=C(O2)COCC(C(F)F)(F)F 1 2.722 1 3 -9.72680022170928 891665 CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C(C)C 1 4.139 3 2 -17.6786943939423 891662 CC1=C(C=CC=C1Cl)NC(=O)CN2CCN(CC2)CCO 1 1.524 3 2 0 -1.1883972437923 891661 CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCCCC3 1 3.533 1 4 -7.8340090601461 891648 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCC3=CC=CO3 1 4.837 2 2 -7.42059904909898 891638 CC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C 1 1.777 2 3 0 -8.84067484402876 891637 C1CCC(C1)NC(=S)NCCC2=CC=C(C=C2)Cl 1 4.629 2 0 -7.18741392509633 891632 C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=CC=CC=N3 1 2.655 3 1 -7.32194391699316 891631 C1=COC(=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.982 3 3 0 -15.1433142119085 891629 C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC2=CC=CO2 1 0.566 2 4 0 -16.7822749893369 891628 CCN1C(=C(C(=NC1=S)SCC)C(=O)C)C 1 2.985 2 1 -8.06479204257002 891626 CC1=CC(=CC=C1)OCC(=O)NCCN2CCOCC2 1 1.186 2 3 0 -9.6186505469371 891620 CC(C)NC(=O)C1=CC=C(C=C1)COCC(F)(F)F 1 2.575 1 2 -14.9252355450223 891619 CC(C)NC(=O)C1=CC=C(O1)COC2=C(C=CC(=C2)Cl)Cl 1 4.133 1 3 -11.0905824229067 891616 CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)OC)OC)C 1 3.257 1 4 -3.14315307955558 891615 CC1=CN=C(S1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 2.026 4 2 -19.460089987938 891614 CCN1C=CC(=N1)C(=O)NC2=NC=C(C=C2)Cl 1 2.094 4 1 -7.12455705260181 891612 COC1=CC(=C(C=C1)OC)NC(=S)N2CCC3=CC=CC=C3C2 1 4.673 2 2 -12.9799791861766 891611 C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCC3=CN=CC=C3 1 4.505 3 1 -7.79000177496575 891609 CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 5.038 4 0 -7.67959306730062 891604 COC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CC=C2 1 3.873 2 1 0.972722631015526 891603 CN1CCN(CC1)NC(=S)NC2CCCC2 1 1.659 4 0 0 -4.92480077173562 891602 CC1=C(C=C(C=C1)F)NC(=O)C2=CC3=C(C=C2)OCO3 1 3.074 1 3 -7.32192305325716 891601 CC1=CC(=C(C=C1)C)NC(=O)CNS(=O)(=O)C2=CC=CC=C2 1 2.349 2 3 -12.5509415700021 891600 COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NCC3=CC=CO3 1 1.817 1 5 0 -14.4713798977868 891591 C1=CC=C(C=C1)CCC2=NC(=NO2)C3=CC=CC=C3 1 3.636 2 1 1.16832356310272 891590 CC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2 1 1.742 2 2 0 -2.76022751251934 891589 C1CC1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.707 3 2 0 -13.6613064055631 891582 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CCC5=CC=CC=C54 1 3.895 5 0 3.53075014854073 891579 CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.283 2 5 0 -9.79493776927249 891578 CC1=CC(=CC(=C1)OCC(=O)N2CCCCCC2)C 1 3.425 1 2 -6.58768569459874 891576 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)Cl 1 4.781 1 2 -0.461447772250781 891574 CCOC1=CC=CC=C1C(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.465 1 2 -1.5972261954497 891558 CCOC1=CC=C(C=C1)C(=O)N2C=NN=C2N 1 0.975 4 2 0 -3.62908127394207 891556 COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)Cl 1 2.522 1 6 0 -9.0613426555017 891551 C1=CC(=C(C=C1Cl)[N+](=O)[O-])C2=NC(=NO2)C3=CC=NC=C3 1 2.553 4 3 0 7.06469547723841 891549 CCC(=O)OC1=CC=C(C=C1)NC(=O)CSCC2=CC=CC=C2 1 3.449 1 3 -14.97849580455 891547 CC1=CC=CC(=C1)C2=NOC(=N2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 4.19 3 3 10.6869320449048 891546 C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-] 1 2.223 2 5 0 -14.0628568699455 891545 C1=CC=C(C=C1)C2=NOC(=N2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 3.704 3 3 7.24737248636557 891541 CCC(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-] 1 2.95 2 5 0 -11.4884296206503 891540 CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)C3=CC=CC=C3 1 2.171 3 3 -3.46402664866838 891539 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-] 1 3.193 1 6 0 -10.9993946285919 891529 COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.114 1 7 0 -8.70251925319984 891523 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC=CC=C2 1 3.381 0 4 -13.4611613420298 891517 COC1=CC(=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3)OC 1 1.961 3 3 0 6.12077927242137 891507 CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.594 3 2 -2.857905738071 891479 CC1=CC(=NO1)NC(=O)/C=C(\C)/C2=CC=CC=C2 1 2.667 2 2 -8.00009452045554 891470 C=CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.346 2 3 -5.82242494945999 891469 C1=CC=C(C=C1)CC(=O)NCC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-] 1 2.257 2 5 0 -15.4672211197456 891461 C1=CC=C(C(=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F)Cl 1 2.817 1 4 -6.4182339645389 891455 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-] 1 2.545 2 5 0 -11.8035254856275 891453 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 2.82 4 3 0 -0.737683417825648 891452 COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O)Cl 1 2.892 1 4 -8.64510099838334 891447 CC1=CC(=C(C=C1)OCC(=O)N2CCCCCC2)C 1 3.425 1 2 -5.16275876824754 891444 CCCC(=O)NC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OCC 1 3.19 2 3 -14.45699743615 891442 CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC(=C(C=C2)Cl)Cl 1 3.718 1 3 -5.2318558658051 891438 CCOC1=CC=CC=C1C2=NC(=NO2)C3=CC=NC=C3 1 2.327 3 2 4.12700881920753 891433 C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)C2=CN=CC=C2 1 2.012 2 4 -8.54439088189891 891423 C1=CC(=C(C(=C1)Cl)C(=O)N2C=NN=C2N)Cl 1 1.972 4 1 0 -2.33174541696138 891422 C1=CC(=C(C=C1COC(=O)C2=NC=CN=C2)Cl)Cl 1 2.725 2 2 -4.05193531399696 891412 C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.223 2 5 0 -12.7691752866859 891408 C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)C2=NC=CN=C2 1 1.29 3 4 0 -8.99523295171442 891394 CCN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O 1 2.783 1 4 -8.81916277522113 891391 CC1=CC(=O)OC(=C1C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])C 1 2.577 1 6 0 -11.2359276354893 891386 CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)Cl 1 0.819 2 3 0 -13.5897149816394 891377 CC1=CC=C(C=C1)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3N 1 3.548 4 1 -11.2546583897806 891361 CC(C)(C)N(CC1=CC=CC=C1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 4.317 2 3 -1.29130163617028 891358 C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)C2=CC=NC=C2 1 2.012 2 4 -6.81790784739441 891345 C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)CCC(=O)NC2=CC=C(C=C2)F 1 2.704 2 5 0 -14.1196209014656 891344 CCOC1=CC=C(C=C1)C(=O)NCCN(C)C 1 1.509 2 2 0 -5.84291089460716 891338 CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NCC2=CC=CO2 1 1.584 2 4 0 -16.6205157389112 891335 CC(=O)NCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] 1 0.558 2 5 0 -10.7172120914564 891334 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C=CC=C3Cl)Cl 1 3.59 3 1 -2.60743408167696 891333 CC1=CC(=CC=C1)OCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)F 1 4.873 1 2 -2.26327244021626 891318 CC(=O)OC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2 1 2.775 1 3 -7.77926354124784 891308 CCOC1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC 1 3.965 1 4 -2.74327338895187 891304 C1=CC(=CC=C1COC(=O)CCC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-] 1 2.704 2 5 0 -12.9233335447308 891303 CC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C 1 2.769 2 5 0 -13.9900414308976 891301 CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CO3 1 1.708 2 4 0 -15.762749824655 891297 C1C(=O)NC(=S)N(C1=O)CC2=CC=CO2 1 0.823 2 3 0 -7.61283471024827 891290 C1CCC(CC1)C(=O)NC2C3CC4CC(C3)CC2C4 1 3.757 1 1 -1.00313429630817 891289 CC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCOCC3)N 1 2.696 3 2 -7.88128326202855 891285 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.796 3 3 -3.18362979521318 891282 CCC(CC)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F 1 3.092 2 3 -7.34995271859423 891259 CC1=CC=C(C=C1)CC(=O)NC2=NC=CC(=C2)C 1 3.01 2 1 -4.21947941671449 891239 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC3=CC=CC=C3 1 4.126 2 1 -6.64426111303252 891235 CCCN1C(=O)C=CC(=N1)OC2=NC(=NC(=N2)NCC)NCC 1 1.602 7 2 0 -8.46350891929768 891233 C1CCC(C1)NC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.802 2 3 -7.86905893352294 891225 C1=CC=C(C=C1)CSCC(=O)NCCC2=CC=C(C=C2)F 1 3.548 1 1 -12.4217129043526 891211 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)OC 1 2.985 2 4 -5.92594051506468 891188 C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CO3 1 3.784 3 2 -7.50928607248095 891184 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OC3=CC=C(C=C3)F 1 2.921 1 4 -8.98506499341679 891179 C1=CC=C(C=C1)C#CC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.719 1 3 -1.25877779256126 891159 C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3F 1 3.054 3 2 -12.1973464271507 891156 COC1=CC=C(C=C1)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O 1 2.699 1 5 -10.2551847992257 891155 CC1=CC=C(C=C1)CC(=O)NC2=NC=C(C=C2)Cl 1 3.188 2 1 -3.02374476662518 891145 CCOC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)O 1 3.359 0 4 -2.72256540178673 891140 C1=CC=C(C(=C1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] 1 1.682 3 5 0 -10.1807985942689 891137 C1=CC(=CC(=C1)Cl)NC(=O)COC(=O)CCC2=CNC(=O)N2 1 0.333 3 4 0 -14.07798259554 891134 CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)C(C)(C)C 1 3.145 4 2 -16.1138087360968 891129 COC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)C 1 0.865 0 5 0 -8.88054409834733 891111 C1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CO3 1 4.24 3 2 -7.86375458664903 891107 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC=CC=C3F 1 3.443 2 1 -6.15174906599363 891102 CC1=CC(=C(C=C1)O)CNC2=NC=CS2 1 1.991 2 1 0 4.62595951703191 891086 C1=CC=C(C=C1)CC2=NNC(=S)N2CC3=CC=CO3 1 2.902 3 1 -7.0857435541974 891080 CCOC1=NC(=NC(=C1)C)OC2=NNC(=O)C=C2 1 1.371 4 3 0 -13.2457980801239 891073 CCC1=C(N=C(S1)NC(=O)C)C2=CC=CC=C2 1 2.706 2 1 -0.328962024373072 891067 CC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 3.013 2 4 -9.12682234606401 891056 CC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)N2C)C)N3CCCC3 1 3.681 3 1 -0.642424060247271 891051 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCC2=CC=CC=C2OC 1 2.985 2 4 -8.13759257265537 891050 C1CCN(CC1)C(=S)NCC2=CC=CC=C2 1 3.694 2 0 -11.5637979424884 891048 CC1=CC=C(C=C1)CC(=O)NC2=CC(=CC=C2)OC 1 3.119 1 2 -4.65704836266633 891031 COC(=O)N1CCN(CC1)C2=CC(=C(C=C2)Cl)Cl 1 3.181 2 2 1.73203002515955 891018 COC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])OC 1 2.944 2 5 0 -8.52679895729418 891016 C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OC3=CC=C(C=C3)F 1 2.599 1 4 -7.67049593527663 891012 CCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CN=CC=C2 1 1.251 3 2 0 -8.03548488911905 891011 CC(=O)SCCC(=O)NC1=CC=CC=C1 1 1.463 1 2 0 -7.8051027980229 891008 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCC3=CC=CO3 1 0.39 2 5 0 -10.7333319626276 890994 C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)NC3=CC=C(C=C3)Cl 1 2.846 2 3 -2.88013156234553 890988 C1=CC(=CC(=C1)COCC(C(F)F)(F)F)C(=O)O 1 2.268 0 3 -5.90063312765412 890984 C1=CC=C(C=C1)OCCC(=O)NC2=CC=C(C=C2)Br 1 3.446 1 2 -5.73634828391165 890983 CN(CC(=O)NCC1=CC=NC=C1)S(=O)(=O)C2=CC=CC=C2 1 0.439 3 3 0 -14.5543361737788 890981 C1CCN(C1)S(=O)(=O)C2=CC(=CC=C2)Cl 1 2.072 1 2 -10.5423667918577 890979 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CS3 1 3.647 2 1 -5.62530304202287 890978 CC(=O)N1CC(=O)N(C1=O)C2=CC=CC=C2 1 0.612 2 3 0 -8.30285618260667 890977 CC(C)N(C(C)C)C(=S)NCC1=CC=CC=C1 1 4.229 2 0 -7.87880414569936 890962 C1CCC(=O)/C(=C/NC2=CC=C(C=C2)O)/C1 1 2.325 1 2 -2.92700753923648 890938 CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OC 1 2.719 2 4 -19.4496857423532 890937 COC1=CC=C(C=C1)N2CC(=O)N(C2=S)C3=CC=CC=C3 1 3.907 2 2 -5.69771565556766 890936 CCOC1=CC=CC=C1NC(=S)NCCC2=CC=CC=C2 1 4.749 2 1 -11.7478745670519 890933 C1=CC=C(C(=C1)/C=C/C(=O)NCC2=CN=CC=C2)[N+](=O)[O-] 1 1.833 3 3 0 -8.82256167496069 890931 CC1=CC(=C(C=C1)O)CNC2=CC=CC(=N2)C 1 3.137 2 1 6.21697116084468 890917 C1=CC=C(C=C1)CSCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F 1 3.115 2 3 -11.4743001773361 890908 C1CSC(=N1)SCNC(=O)C2=CC=CC=C2 1 2.698 2 1 -12.282689170455 890907 CC1=CC(=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)C 1 3.47 2 1 -5.88640563477247 890899 CS(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)S(=O)(=O)C 1 0.731 1 5 0 -8.14428308498476 890890 CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)OC)C 1 2.824 2 2 0.478659326640382 890886 C1=CC(=CC=C1CCNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])F 1 3.51 2 3 -7.18993865084426 890857 CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 3.599 2 1 -2.9465590481996 890855 CC1=NC(=NO1)C2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)C 1 2.161 3 3 -6.09766476600698e-002 890849 CC1=CC(=NO1)NC(=O)CSCC2=CC=CC=C2 1 2.153 2 2 -18.8984224575043 890828 C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F 1 4.305 1 1 -4.23047532048607 890827 COCC1=NN=C(S1)NC(=O)CCC2CCCCC2 1 2.249 3 2 -15.4137876962111 890823 CN1C2=CC=CC=C2N=C1C3=C(N(C(=S)S3)CC=C)N 1 3.699 4 0 -4.85370266632092 890802 CC1=CC=C(C=C1)CC(=O)NC2=CN=CC=C2 1 1.985 2 1 0 -5.19753168935565 890791 C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=CO3)C=O 1 1.908 0 3 0 0.866195702017177 890786 C1=CC=C2C=C(C=CC2=C1)OC(=O)CCN3C(=O)C4=CC=CC=C4C3=O 1 3.302 1 4 -6.18016730789789 890771 CC(=O)C1=CC(=C(C=C1)OC(=O)N(C)C2=CC=CC=C2)OC 1 3.099 1 4 -9.05087837037827 890765 COC1=CC=CC(=C1OC)C2=NNC(=S)N2CC3=CC=CO3 1 2.834 3 3 -3.52037932448163 890753 C1=CC=C2C(=C1)C=CC=C2OCC3=CC=CC(=C3)C(=O)O 1 3.935 0 3 -1.92595776246567 890738 CCC1=C(C2=C(C=C(C=C2)OCC(=O)OC)OC1=O)C 1 2.939 0 5 -11.8756602641115 890737 CC1=CC=C(O1)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=CC=C3F 1 2.272 2 3 -3.92461071230379 890727 C1CCN(C1)C2=CC=CC=C2NC(=O)/C=C/C3=CC=CO3 1 3.1 2 2 -4.44833790189038 890718 CC1=CC(=NC=C1)NCC2=C(C=CC3=CC=CC=C32)O 1 3.29 2 1 6.80502062301715 890711 C1=CC=NC(=C1)NCC2=C(C=CC(=C2)Cl)O 1 3.033 2 1 7.19310279432915 890706 CC1=CC=C(C=C1)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 2.168 2 3 -14.1154304009405 890701 CC1=CC(=C(C=C1C)Br)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 4.229 2 3 -7.81643082071019 890682 CN(CC(=O)NCC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC=C2 1 1.573 2 4 0 -14.4432979321469 890681 CCN(C1CCCCC1)C(=O)/C=C/C2=CC=C(C=C2)OC 1 3.902 1 2 -4.33191672363702 890678 CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3 1 3.511 1 3 -2.35082172720195 890674 C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CO3 1 4.252 3 2 -5.96741316482206 890666 C1=CC=C(C(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)F)[N+](=O)[O-] 1 3.51 2 3 -5.95847363804993 890664 CC1=CC(=CC=C1)S(=O)(=O)NCCC2=CC=CC=C2 1 3.131 1 2 -3.71603747054794 890662 C1=CC=C(C(=C1)CNC2=CC=CC3=C2N=CC=C3)O 1 3.166 2 1 3.4712540283462 890652 CC(=O)NC1=CC=C(C=C1)C2=NNN=N2 1 0.419 5 1 0 -3.59427377449483 890650 COC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2 1 0.618 1 4 0 -14.450629638134 890649 C1=CC=C(C=C1)C2=NN=C(O2)SC3=CS(=O)(=O)C4=CC=CC=C43 1 2.708 2 3 -3.67536486293462 890644 CC1=C(C=CC(=C1C)Br)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 4.229 2 3 -8.20502545639582 890643 CC1=NN=C(S1)SCC(=O)NCCC2=CC=CC=C2 1 2.071 3 1 -20.6099982661209 890639 CC1=C(C=CC2=C1OC(=O)C3=C2CCCCC3)OCC(=O)C 1 3.841 0 4 -8.88439300901263 890626 CCOC1=C(C=C(C=C1Cl)C(=O)NCCN2CCCCC2)Cl 1 3.755 2 2 -7.81335492485979 890623 COC1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.967 2 4 -6.61524425717074 890620 CC(C)(C)C(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C(=O)O 1 3.942 2 3 -15.5524841348767 890610 CC(C)CCOC1=CC=C(C=C1)C(=O)NCCC(=O)N2CCOCC2 1 1.803 2 4 0 -17.5140629663655 890605 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCCCCC2 1 2.998 2 3 -4.06797371762405 890601 C1CN(CC2=CC=CC=C21)C(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-] 1 3.264 2 3 -8.24323933046145 890597 C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)F 1 4.594 3 1 -7.1553169124241 890595 CC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=N2)C 1 2.806 2 1 -4.37705105978504 890591 CC1=CC=C(C=C1)CC(=O)NCC2=CC3=C(C=C2)OCO3 1 2.91 1 3 -10.7318418161915 890584 CC1=CC(=C(C=C1)C)NC(=O)CN(C)S(=O)(=O)C2=CC=CC=C2 1 2.555 2 3 -11.9903677475835 890573 C1=CC=C(C(=C1)/C=C/C(=O)NCC2=CC=NC=C2)[N+](=O)[O-] 1 1.833 3 3 0 -6.72628249880263 890566 C1CCN(CC1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-] 1 2.611 2 4 -7.33516079343848 890564 COC1=CC(=CC=C1)OCC2=CC=C(O2)C(=O)OC 1 2.709 0 5 -5.47398950056315 890561 C1CCC(=O)/C(=C/NC2=CC=CC=C2C(=O)N)/C1 1 1.569 2 2 0 -7.32639036515633 890559 C1CCN(CC1)C2=NC=C(C(=N2)N3CCOCC3)Br 1 1.549 4 1 0 2.46605244178338 890556 CC1=CC=CN2C1=NC(=C(C2=O)C=O)N3CCN(CC3)C 1 0.525 4 2 0 -7.57553506801268 890543 C=CCN1C(=C(SC1=S)C(=O)N2CCOCC2)N 1 1.154 3 2 0 -13.8420375427056 890542 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=NC=CS2 1 1.992 3 3 0 -4.10628937470901 890526 CN(CC(=O)NCC1=CC=CC=N1)S(=O)(=O)C2=CC=CC=C2 1 0.654 3 3 0 -16.4034983134629 890518 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)Br 1 3.201 2 2 -4.95284826324679 890517 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F 1 3.899 2 1 -4.18808216568775 890516 CC1=NC(=NO1)C2=CC(=CC=C2)C3=NOC(=N3)C 1 1.131 4 2 0 2.99697765001039 890507 CC1=CC=C(C=C1)CC(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3 1 4.313 2 1 -6.24890250550027 890501 C1CCC(C1)NC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 2.345 1 4 -11.3943464346156 890500 C/C(=C/C1=CC=CC=C1)/C(=O)N2CCN(CC2)C3=CC=CC=C3F 1 3.993 2 1 -3.36138937844117 890492 CCN(CC1=CC=CC=C1)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 3.538 2 3 -6.69203683439517 890490 COC1=C(C2=C(C=C1)C(=O)N(C2=O)C3=CC4=C(CCC4)C=C3)OC 1 3.463 1 4 -10.8414911924416 890482 CC1=C(C=CC2=C1OC(=O)C3=C2CCCCC3)OCC(=O)N(C)C 1 3.525 1 4 -10.2499309442328 890478 CC(=O)OC1=CC(=C(C=C1)NC(=O)CC2=CC=CC=C2)C(=O)O 1 2.047 1 5 -13.2399448007228 890477 C/C(=C/C1=CC=CC=C1)/C(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.787 2 1 -4.32052238513331 890468 CC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=CC=C3 1 2.811 4 1 -15.3809414700293 890459 C1=CC=C(C=C1)N2C=NC(=N2)SCC(=O)NC3=NN=CS3 1 1.545 6 1 0 -9.77932842496765 890458 CCOC1=C(C(=CC(=C1)C=O)Br)OCC(=O)N 1 1.507 1 4 0 -9.18352970005201 890456 CN1C(=NC(=N1)[N+](=O)[O-])SC2=NN=C(O2)C3=CC=CC=C3 1 2.712 6 3 0 -3.22360781458007 890442 C1CCN(C1)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3 1 3.272 2 1 -6.17517653135511 890422 CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 3.305 2 1 -4.09195267645433 890401 CC1=CC=C(C=C1)CC(=O)NCC2=CC=CC=C2OC 1 3.126 1 2 -11.1471119410696 890400 CC1=CC=CC=C1NC(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)OC 1 4.602 1 2 -1.21767173403617 890396 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)OC 1 2.85 2 5 0 -5.18829497613735 890395 CN1CCN(CC1)C(=O)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3 1 3.147 2 1 -4.63691724994904 890393 CC1=CC=C(C=C1)CC(=O)NC2=NC=CS2 1 2.132 2 1 -6.49532352510307 890375 CC1=CC=C(C=C1)SC2=NC(=NN2C)[N+](=O)[O-] 1 3.357 4 2 0.46652465320847 890374 CC1=CC(=C(C=C1)O)CNC2=NC=CC(=C2)C 1 2.868 2 1 4.74556635520132 890370 CCOC(=O)C1=C(SC2=C1CCCC2)N3C=NN=N3 1 2.09 4 2 -20.8100151011253 890367 CCOC1=CC=C(C=C1)CC2=NNC(=S)N2CC3=CC=CC=C3 1 4.052 3 1 -5.55353630492187 890356 C1CCN(CC1)C2=CC=CC=C2NC(=O)/C=C/C3=CC=CO3 1 3.557 2 2 -4.80280641605846 890342 CCN(CC)C(=O)NC1=CC=C(C=C1)C(=O)OC 1 1.705 2 3 0 -7.68667117591577 890339 CC1=C(SC2=NC=NC(=C12)N3C4=CC=CC=C4N=N3)C 1 3.67 5 0 -3.16185344607014 890322 C1CN(C2=CC=CC=C21)C(=O)CSCC3=CC=CC=C3 1 3.295 1 1 -14.348885086973 890321 CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.639 2 4 -17.4262418697723 890294 COC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OCC(=O)N 1 1.473 1 6 0 -10.2360310724574 890291 C=CCN1C2=CC=CC=C2N=C1NCC3=CC=CC=C3O 1 3.387 3 1 -1.69280987069804 890257 C1=CC=C(C(=C1)/C=C/C(=O)NC2=CN=CC=C2)[N+](=O)[O-] 1 1.826 3 3 0 -5.2045409280996 890251 CC1=CC=C(C=C1)CC(=O)NCC2=CC=C(C=C2)Cl 1 3.807 1 1 -7.21458918837955 890248 COC1=CC=C(C=C1)CN/C=C/2\CCCCC2=O 1 2.279 1 2 -6.4232121459129 890243 C1=CC(=CC(=C1)Cl)S(=O)(=O)NC2=CN=CC=C2 1 1.831 2 2 0 -1.97997143717446 890242 CCC(CC)C(=O)NCCC1=CC=C(C=C1)F 1 3.525 1 1 -6.78017940790033 890236 CC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)OC 1 2.991 1 3 -7.68596431358193 890228 COC1=C(C=C(C(=C1)C=O)Cl)OCC(=O)OC 1 1.928 0 5 0 -10.234925077189 890218 COC1=CC(=C(C=C1)CNC2=CC=CC=N2)O 1 2.352 2 2 4.75340014252435 890213 CCOC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 3.181 2 5 0 -10.9803461042652 890189 CC1=CC=C(C=C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.03 2 3 -6.65680728265495 890186 CC1=NC(=CC=C1)NCC2=C(C=CC3=CC=CC=C32)O 1 3.559 2 1 7.26503169754519 890176 CC1=NC=C(N1CC(=O)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-] 1 2.168 4 3 0 -8.84663794273404 890171 CC(C)(C)C(=O)NC(=S)NC1=CC=CC(=C1)C(=O)O 1 3.277 2 3 -14.502488250042 890166 CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCCC3 1 3.432 2 2 -8.84181890613519 890163 C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OCC(=O)N 1 2.627 1 4 -13.6189779674601 890161 CC1=CC(=NO1)NC(=O)/C(=C/C2=CC=CC=C2)/C 1 2.667 2 2 -13.2115260728449 890157 CN(C)C(=O)OC1=CC=CC2=C1C=CC=C2OC(=O)N(C)C 1 2.677 2 4 -2.85517329119124 890155 CCCC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)OC)OC 1 4.107 0 5 -7.46721569854508 890150 CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)COC 1 1.335 4 3 0 -19.3022436125521 890149 CC1=C(C=CC(=C1)N2CCCC2)/C=C\3/C(=O)N(C(=S)N3C)C 1 3.681 3 1 -0.438093709293427 890139 C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=NC=C4 1 2.354 3 3 -14.4341062191976 890123 CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=CC(=C3)C(F)(F)F 1 3.558 2 1 1.47270876103273 890113 COC1=CC=CC(=C1)NC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.96 2 4 -4.66405760141028 890111 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C)C)C 1 3.066 2 2 -9.05739438250167 890104 CC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=C(C=C3COC)C)N 1 2.642 3 2 -9.00422242699037 890093 CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=CC=C2C)C 1 3.556 3 2 -18.2143346588824 890085 COC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)NCC(=O)O 1 2.021 1 4 -4.56850575270012 890083 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3OC 1 4.644 1 3 -7.263359942286 890076 CC1=CC=C(C=C1)CC(=O)NCC(C)C 1 2.75 1 1 -9.35814028708507 890073 COC1=CC(=CC=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 1 2.076 1 5 -4.13449561902536 890072 CCC1=C(C2=C(C(=C(C=C2)OCC(=O)OC(C)C)C)OC1=O)C 1 4.151 0 5 -11.187311838277 890055 CC(C)C1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.296 3 1 -4.80137762282085 890047 CC1=NC=C(N1CC(=O)NC2=CC=CC=C2OC)[N+](=O)[O-] 1 0.822 4 4 0 -14.2830332148301 890046 CCNC(=O)/C=C/C1=CC=CC=C1[N+](=O)[O-] 1 1.749 2 3 0 -6.64191326324463 890044 C1=CC=C(C=C1)N2C=NC(=N2)SCC3=CSC(=N3)N 1 2.484 5 0 2.3265230902543 890028 COC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)O 1 3.746 1 4 -0.403649900760657 890011 COC1=CC=C(C=C1)NC(=O)CCSC2=NC3=CC=CC=C3C=C2 1 3.965 2 2 -5.72997892314813 890009 CCOC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3OCC 1 3.317 0 5 -6.66051798517853 889998 CC1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)C 1 2.543 1 3 -5.24783994381201 889992 CC1=CC(=NC=C1)NC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.851 3 3 -3.3550454251313 889990 CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N3CCOCC3 1 2.878 1 2 -5.32396427863854 889985 CCOC1=CC=CC=C1NC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 3.309 2 4 -8.4514991465608 889983 CC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCN(CC3)C)N 1 2.965 4 1 -3.55595043738421 889971 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCC(CC2)CC3=CC=CC=C3 1 4.282 2 3 -0.163278695933842 889959 CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC 1 1.459 3 4 0 -22.4509516256665 889956 CCOC1=C(C(=CC(=C1)C=O)Cl)OCC(=O)N 1 1.423 1 4 0 -10.8519732917731 889946 C1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3 1 4.845 3 1 -9.2009848778785 889945 CC1=CC=CC=C1C2=NN=C(O2)SCC3=CC=CC=C3 1 4.282 2 1 -7.39675143788621 889929 C=CCC1=C(C=CC(=C1)C(=O)N2CCCCC2)O 1 2.927 1 2 -4.77155791883058 889926 CC(C)N1C2=CC=CC=C2N=C1NCC3=C(C(=CC=C3)OC)O 1 3.48 3 2 -0.706552723028013 889917 CCC1=C(C2=CC=CC=C2N=C1SCCC(=O)O)C 1 4.255 1 2 -6.8896846728558 889915 CN1C2=CC=CC=C2N=C1NCC3=CC=CC(=C3O)CC=C 1 3.778 3 1 -1.96002232411975 889907 CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC=C2N3CCCCC3)C 1 4.501 2 2 -5.55928089460405 889901 CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(N2)C3=CC=CC=C3 1 2.451 2 3 -1.94470797485307 889893 CC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)Cl 1 2.396 2 3 -8.15269088068231 889880 CC(C)(C)NC1=NC(=NC(=N1)SC)OC2=NNC(=O)C=C2 1 1.963 6 2 0 -15.1667971941387 889879 CC1=NC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 3.07 3 2 -6.09097585344878 889815 C1=CC(=CN=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F 1 2.773 2 2 -2.89067837052826 889821 CNC(=O)C1=C(N(C(=S)S1)C2=CC=C(C=C2)OC)N 1 2.3 3 2 -7.75534797782847 889822 CC1=CC=C(C=C1)CC(=O)NCC2=CN=CC=C2 1 1.992 2 1 0 -11.2779498547654 889832 C1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CS3 1 4.798 3 1 -8.85475491102848 889860 C1=CC=C(C=C1)CSCC(=O)NC2=CC(=C(C=C2)F)F 1 3.426 1 1 -8.87906807395955 889855 CC(=O)NC(=S)NC1=CC=CC=C1N2CCCCC2 1 3.181 3 1 -6.96272914237357 889800 CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CC3=CC=CS3)C 1 2.877 2 2 -16.0366305485906 889783 CCC1=C(C2=C(C=C(C=C2)OCC(=O)N)OC1=O)C 1 2.086 1 4 -10.144766830362 889780 COC1=C(C=CC(=C1)C=O)OC(=O)C2=CN=CC=C2 1 1.854 1 4 0 -13.0253189957746 889773 C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4O3 1 3.832 2 2 0.508400359739077 889768 C1=CC=C2C(=C1)C(=CN2CC(=O)O)/C=C/[N+](=O)[O-] 1 1.79 2 4 0 3.19601869900521 889741 COC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)NCC(=O)OC 1 2.247 1 4 -6.21149431713872 889712 C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=O)CC4=CC=CS4 1 4.043 3 1 -0.932115252469331 889704 CC(=O)NC1=NC2=C(S1)CC3=C2C=CC(=C3)OC 1 1.892 2 2 0 1.04222179187361 889695 C1=CC(=CC=C1COC2=C(C(=CC(=C2F)F)F)F)C(=O)O 1 3.848 0 3 -1.60399340399076 889692 CCCN1C2=CC=CC=C2N=C1NCC3=CC=CC(=C3O)CC=C 1 4.651 3 1 -4.81113023781144 889687 CCC1=CC=CC2=C1NC=C2C(=S)N3CCCC3 1 4.364 2 0 -1.37648753252787 889684 CCN(CC)C(=S)NCCC1=CC=CC=C1 1 3.796 2 0 -9.45035855246571 889681 COCC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 2.903 3 2 -5.45795719949685 889679 C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CS3 1 4.342 3 1 -8.5002863968604 889673 C1=CC(=CC=C1C(=O)O)OCC2=CC=C(O2)C(=O)O 1 2.129 0 6 -5.68855606568225 889672 CC1=NC(=NO1)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC(=O)C 1 2.808 2 4 1.818440972222 889659 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCC3=CC=CC=C3C2 1 3.282 2 3 -7.5962353714235 889651 CC1=CC=CC(=C1)C2=NOC(=N2)C3CCCCC3 1 4.093 2 1 8.5332141671782 889647 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)OC 1 2.978 2 4 -2.58314615940118 889639 CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC(=CC=C3)Br 1 2.231 4 2 -6.85448238481883 889614 CN1C=NN=C1SCC2=CC(=CC=C2)Br 1 2.815 3 0 -12.6697972449491 889613 CC(=O)OC1=CC(=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC)C(=O)O 1 2.03 1 6 0 -12.9833726762869 889605 CCC1=C(N=C(S1)NS(=O)(=O)C)C2=CC=CC=C2 1 2.497 2 2 0.235674663388005 889603 C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=C(C=C3)Br 1 4.433 3 0 -0.44889615596335 889600 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=NOC(=C2)C 1 2.134 3 4 0 -11.1899413092322 889599 COC1=CC2=C(C=C1/C=C/[N+](=O)[O-])OCO2 1 1.561 1 5 0 4.8530212378665 889596 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.707 3 5 0 -11.1833703397604 889595 C1=CC=C(C(=C1)/C=C/C(=O)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 3.648 2 3 -4.38027935743979 889590 COC1=C(C(=CC(=C1)C=O)Br)OCC(=O)N 1 1.158 1 4 0 -7.67346130856868 889586 CN1C2=C(N=C1SCC3=CC=CC=C3OC)N(C(=O)N(C2=O)C)C 1 2.55 4 3 0 -16.0913957410681 889581 CC(C)N1C2=CC=CC=C2N=C1NCC3=C(C=C(C=C3)OC)O 1 3.48 3 2 1.91826355953232 889578 C=CCN1C(=NNC1=S)CC2=CC=CC=C2 1 2.753 3 0 -10.52539568638 889555 C1=CC=C(C=C1)CNC(=O)CSC2=NN(C=N2)C3=CC=CC=C3 1 3.078 4 1 -10.7051706695487 889545 CC(C)C1=NN=C(S1)NC(=O)CCC2CCCCC2 1 3.642 3 1 -14.7572081195351 889544 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NCC3=CN=CC=C3 1 0.924 3 3 0 -17.1809237511715 889538 CC1=CC=C(C=C1)CC(=O)NC2=NOC(=C2)C 1 2.274 2 2 -13.9725993372105 889534 C1CCC(C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 3.224 2 2 -9.63016248883273 889524 CCC(CC)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N 1 2.025 2 3 -13.1624524672055 889506 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC 1 4.021 3 2 -8.01133130133394 889499 CC1=CC=C(C=C1)CC(=O)NCCN2CCOCC2 1 1.385 2 2 0 -11.020380204046 889491 CC1=CC(=NO1)NC(=O)COC2=CC=CC(=C2)[N+](=O)[O-] 1 1.483 3 5 0 -17.2745448300436 889490 COC1=CC2=C(C=C1)C3=C(C2)SC(=N3)NC(=O)C4=CC=CS4 1 3.51 2 2 -0.800250269086222 889485 COCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2 1 1.502 2 4 0 -10.6275904180826 889483 CC1=NC(=NN1)SCC2=CC=C(C=C2)OCCC(C)C 1 4.061 3 1 -7.113541525645 889482 COC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)F 1 2.931 0 4 -3.85727043905206 889475 C1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.523 2 3 -5.65477768704529 889471 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCCN2CCOCC2 1 1.245 3 4 0 -7.78010256076819 889459 CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC 1 2.968 0 5 -6.27575731884951 889455 CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 1 2.123 3 3 -11.8177841246349 889442 CC1=CC=CC=C1OCC2=NN3C=NC4=C(C3=N2)C=NN4C 1 1.987 6 1 0 -7.05833798216828 889439 CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.908 2 2 -9.65035178053249 889434 COC1=CC=CC=C1OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 4.158 1 3 -5.42401002815821 889425 CCC1=C(C2=C(C(=C(C=C2)OCC(=O)N(C)C)C)OC1=O)C 1 2.984 1 4 -8.41201152296093 889424 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)OC 1 4.644 1 3 -5.13706690432184 889423 CCC1=CC=CC2=C1NC=C2C(=S)N3CCOCC3 1 3.591 2 1 -3.29925249647154 889407 CC(C)CC1=NN=C(S1)NC(=O)CSC2=CC=CC=N2 1 2.506 4 1 -14.5283948834853 889406 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)OC)OC 1 2.962 2 5 0 -4.67411884150197 889401 COC(=O)CCC(=O)N1CCOCCOCCOCC1 1 -0.924 1 6 0 -17.4237535930768 889399 CC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F 1 3.235 2 3 -6.36018046270848 889397 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=N2)Cl 1 3.888 3 0 -5.85151496568749 889392 C1=CC=NC(=C1)NCC2=CC(=CC(=C2O)Cl)Cl 1 3.697 2 1 5.95564877962201 889369 CC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CN=CC=C2 1 3.567 3 2 -5.16646627057575 889337 CN(C)C1=NC(=NC(=N1)N2CCCCC2)OC3=NNC(=O)C=C3 1 1.155 7 2 0 -10.7142649129394 889334 CC(C)(C)C(=O)NC(=S)NC1=CC=CC=C1N2CCCC2 1 4.271 3 1 -12.1834870705246 889333 C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)F 1 3.899 2 1 -4.17282030438843 889331 CCCC(=O)NC1=CC=CC=C1NC(=O)C2CCCCC2 1 3.32 2 2 -8.357497978216 889328 CC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2N3CCCC3)C 1 4.045 2 2 -3.85531937110286 889320 C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)/C=C/C3=CC=C(C=C3)Cl 1 4.924 2 1 -2.33893907200227 889302 CCN(CC)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)OC 1 3.443 1 2 -1.86038664050678 889301 C1=CC(=C(C=C1Br)CNC2=NC=CS2)O 1 2.253 2 1 4.16971431985595 889297 C1=CC2=C(C(=C1)NCC3=C(C=CC(=C3)Br)O)N=CC=C2 1 3.914 2 1 4.27682431798878 889285 COC1=C(C=CC(=C1)C=O)OC(=O)C2=CC=NC=C2 1 1.854 1 4 0 -11.3962301877949 889251 CCN1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 1.912 3 3 0 -4.50439721562739 889247 CC1=CC(=C(N1C2=CC(=C(C=C2)OC)Cl)C)C=O 1 3.404 1 2 -3.38164210199301 889237 CC1=CC=C(C=C1)CC(=O)NC2=CC=NC=C2 1 1.985 2 1 0 -5.01807789455011 889232 CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)OC)C(F)(F)F 1 3.435 2 2 -5.60452315444519 889229 CC(C)N(CC1=CC=CC=C1)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 3.916 2 3 -4.9532649961548 889227 COC1=C(C2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)O)OC 1 2.164 1 5 -7.58578977634378 889220 CC1=NN=C(S1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3 1 1.806 6 1 0 -12.7515513073921 889213 C1=CC=C(C(=C1)NC(=O)COC(=O)CCC2=CNC(=O)N2)Cl 1 0.333 3 4 0 -16.8261875808193 889189 COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NC3CCCCCC3 1 3.366 1 4 -10.1926784848838 889182 CCOC1=C(C=C(C(=C1)C=O)Br)OC2CCCC2 1 4.055 0 3 -6.0489368873046 889176 CCC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C)OC 1 2.574 2 4 -9.84556629562782 889170 CN1CCN(CC1)C(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N 1 2.479 4 1 -3.81725363252644 889156 CC1=NC(=CC=C1)NCC2=C(C=CC(=C2)Cl)O 1 3.315 2 1 8.30923907576538 889149 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)/C=C/[N+](=O)[O-] 1 4.098 2 2 8.00102796659642 889116 C1=CC=NC(=C1)C(=O)NCC2=CN=CC=C2 1 0.748 3 1 0 -11.9188816143303 889110 CC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 2.589 1 4 -5.18785344442888 889102 CC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.838 1 6 0 -6.99444662966346 889093 CC1=CC(=C(C=C1)O)CNC2=NC3=CC=CC=C3N2CC=C 1 3.873 3 1 -0.359975613391876 889089 CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)CC4=CC=CS4 1 4.539 2 2 5.02485075153335 889087 CC(=O)C1=C(C=C(C=C1)OC)OC(=O)C2=CC=CO2 1 2.38 0 5 -5.48965353498582 889085 CC(=O)C1=C(C=C(C=C1)OC)OC(=O)C2=CC(=C(C=C2)OC)OC 1 2.952 0 6 -12.3773557307449 889084 C/C(=C/C1=CC=CC=C1)/C(=O)N2CCN(CC2)C3=CC=C(C=C3)F 1 3.993 2 1 -3.05431070247759 889075 CC1=CC(=CC=C1)OCC(=O)NC2=CC=CC=C2N3CCCCC3 1 4.015 2 2 -4.31685898288624 889070 CC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3=CC=CO3)N 1 3.567 3 2 -9.63860988452772 889054 CS(=O)(=O)N(CC1=CC=CC=C1Cl)CC2=CC=CO2 1 2.383 1 3 -4.49066193661227 889037 CC1=CC=C(C=C1)CC(=O)NC2=NC3=CC=CC=C3S2 1 3.761 2 1 -2.25610105452885 889032 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)N3CCCCC3)C 1 3.3 3 1 2.65021934709436 889026 COC1=CC(=C(C=C1)OC)NC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] 1 2.944 2 5 0 -6.61943107862725 889021 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-] 1 3.199 2 5 0 -6.52552511932236 889019 CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)NC(=O)C(C)C 1 1.599 4 2 0 -19.4731689141376 889002 CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=O)C(F)(F)F 1 3.029 2 2 -7.29009068343777 888984 CC1=CC=C(C=C1)SC(=O)COC2=CC(=C(C=C2)C)C 1 5.114 0 2 1.4882037501295 888983 CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3OC2=O 1 2.668 2 3 -4.70213025293235 888974 CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C 1 1.722 2 1 0 -5.0327115482645 888971 C1CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 2.489 2 2 -8.81755711432232 888961 CC(C)N1C2=CC=CC=C2N=C1NCC3=NC4=CC=CC=C4N3C 1 3.653 5 0 -2.82284722851123 888955 CN(C)CCSC1=NN=C2N1C3=CC=CC=C3S2 1 3.186 4 0 -5.29806130289332 888942 C1=CC=C(C=C1)/C=C/C(=O)CC(=O)C2=CC=CC=C2O 1 3.37 0 3 2.95672194090791 888940 C1=CC(=CC=C1COCC(F)(F)F)C(=O)O 1 2.271 0 3 -4.7315006927579 888939 CC1CCN(CC1)C(=O)N2C=NC3=C2C=C(C(=C3)C)C 1 3.678 3 1 -6.10499830884504 888932 CC(=O)NC1=C(N=C(S1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.066 2 1 4.92285714085727 888931 COC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2N3CCCC3 1 3.221 2 2 -5.60368306291481 888916 C1CCN(C1)C2=CC=CC=C2NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] 1 2.967 3 4 0 -7.0512368186894 888906 CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)Br 1 3.743 2 3 -1.06816880645937 888893 CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC 1 2.923 1 5 -15.2690209196408 888854 CC1=NC2=C(S1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3F 1 2.867 2 2 -5.00696724070936 888848 CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)N3CCOCC3)C 1 2.07 3 2 -8.08938412760908e-002 888845 CCCC(=O)NC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC 1 2.841 2 3 -13.9090735876491 888844 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OC3=CC=C(C=C3)Cl 1 3.379 1 4 -7.87494332829522 888842 CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N3CCCC3 1 3.57 2 2 -5.72468003783709 888841 C1=CC(=C(C=C1Cl)CNC2=NC=C(C=C2)Br)O 1 3.309 2 1 4.44705719031711 888838 COC(=O)CS(=O)(=O)C1=CC=CC2=C1N=CC=C2 1 1.249 1 4 0 -11.7121989460795 888834 CC1=NC=C(N1CC(=O)NC2=CC=CC=C2)[N+](=O)[O-] 1 0.839 4 3 0 -10.9079726056482 888833 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC=O 1 1.366 2 3 0 -4.51113293097284 888832 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3 1 4.875 3 1 -10.3528956614308 888822 C1CCN(CC1)C2=NC(=NC=C2Br)N3CCOCC3 1 1.549 4 1 0 2.46605244178338 888800 C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)F 1 4.594 3 1 -7.17057877372342 888798 CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=NC=CS2 1 1.805 2 3 0 -10.6958736612477 888795 CC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NCC(C)C 1 3.5 2 2 -14.9010225228575 888792 COC1=CC(=CC(=C1OC)OC)C2=NC(=S)NN2 1 1.846 3 3 0 -5.23931281694631 888783 C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)NC4=CC=CC=C4 1 2.787 4 1 5.25608692669087e-002 888782 CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=CC=C2F 1 4.826 2 2 -14.586350826313 888773 COC1=CC=C(C=C1)CCCC(=O)NC2CCCCC2 1 3.827 1 2 -9.57528911643578 888746 CC1=NN=C(S1)SCC(=O)N2CCC3=CC=CC=C3C2 1 2.03 3 1 -20.8486976788645 888739 CC1=NC(=NC=C1)SCC(=O)NC2=NC(=CC(=N2)C)C 1 1.34 5 1 0 -15.1468813509251 888737 COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)NC2=CC=CC=C2F)OC 1 2.55 2 5 0 -13.2045434019668 888720 CC1=CC=C(C=C1)SCC(=O)NC2=NC=CS2 1 2.491 2 1 -6.60336499112871 888706 C1=CC=C(C=C1)CCSC2=C(C=CC=N2)C(=O)O 1 3.294 1 2 -5.57570767388925 888694 CC1=C(C=C(C=C1)NC2=CC(=O)CCC2)C 1 3.218 1 1 -6.69050810926708 888688 CCN1CCN(CC1)C(=S)C2=CC=C(C=C2)Cl 1 3.638 2 0 -0.236506877028301 888685 C1COC2=C(O1)C=CC(=C2)NC(=S)NC(=O)C3=CC=CC=C3F 1 3.757 2 3 -13.8024800517237 888680 COC1=CC=C(C=C1)C2=NOC(=N2)CCC3=CC=CC=C3 1 3.619 2 2 1.52290523232202 888679 CC1=CC(=NC(=N1)NC(=O)CSC2=CC=CC=N2)C 1 1.704 4 1 0 -12.7227116641778 888670 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCOCC3)C 1 2.215 1 5 -10.5156461876335 888665 CCOC1=CC=CC=C1NC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 2.852 1 5 -12.7819846749519 888664 CC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)NCC(C)C 1 3.336 2 3 -11.0851078502715 888648 COC(=O)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC=NC=C3 1 2.5 3 3 -9.87787066953491 888645 C1COC(O1)(C(F)(F)F)NC(=O)NC(=O)C2=CC=CC=C2 1 2.318 2 4 -7.25932236545568 888640 CC1=CC(=O)NC2=C1C=CC(=C2C)Cl 1 2.849 1 1 -2.36884884534431 888626 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)NC(=O)CCC(=O)O 1 2.019 3 4 0 -4.95541331818273 888623 C1CN(CCN1CCO)C(=S)C2=CC=C(C=C2)Br 1 2.833 2 1 0.72535389614609 888622 CC1=CC(=C(C(=C1)C)NC(=O)NC(=O)C(Cl)(Cl)Cl)C 1 3.867 2 2 -4.18261489786544 888621 CC1=CC=CC2=NC(=NC(=O)N12)C(F)(F)F 1 1.979 3 1 0 -3.52405554512689 888613 CC1=CC(=NC(=N1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)C 1 1.744 7 1 0 -23.4688658957738 888610 CCCS(=O)(=O)N1CCN(CC1)C2=CC=CC=N2 1 1.26 3 2 0 -16.7403943744561 888605 C1=CC=C(C=C1)C2=CC=CC=C2N3C(=O)C4=C(C3=O)N=CC=C4 1 3.235 2 2 -1.56115698365307 888601 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C(C)C)C 1 4.502 2 2 2.25406392376485 888575 CC(C)(C)C(=O)NC(=S)NC1=C(C2=C(S1)CCC2)C(=O)N 1 3.363 3 2 -19.6726051962817 888560 C1=CC=C2C(=C1)N=C(N2CC3=CC=CS3)C4=CC=CS4 1 4.753 2 0 -1.22770746207138 888554 CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC=CS3 1 1.516 3 3 0 -12.7267762688354 888550 CC1=C(C=C(C=C1)NCCC(=O)C2=CC=CC=C2)Cl 1 4.293 1 1 -0.98004403372224 888544 CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2F)CC(=O)O 1 2.703 1 4 -9.8726587149968 888537 C1CCC(CC1)CCN2C=NC3=CC=CC=C32 1 4.128 2 0 -5.22511922049418 888536 C1CCC2=C(C1)C(=O)N3C(=N2)N=C(N3)CC(=O)O 1 2.7e-002 4 3 0 -10.3922814873859 888534 CC1=C(N=C2C(=C1C)C(=C(S2)C(=O)OC(C)C)N)C 1 3.121 2 2 -7.57522843986287 888533 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.778 2 4 -9.66874660930356 888529 CCN1CCN(CC1)C(=S)C2=CC=C(C=C2)Br 1 3.722 2 0 -1.69316662212974 888504 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3 1 3.48 3 2 -3.05255363731164 888503 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N4C=CC=C4 1 3.624 3 1 -2.51239640241466 888500 CC1=C(N=CC=C1)NC(=O)NC(=O)C2=CC=C(C=C2)OC 1 2.252 3 3 -3.6805998422698 888493 COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C2=O)N=CC=C3 1 1.684 2 4 0 -3.67027104944858 888490 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2N4C=CC=C4 1 4.11 3 1 0.946821804385759 888488 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=NC=CN=C2)[N+](=O)[O-] 1 1.449 3 5 0 -15.6510140711461 888457 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2Cl)OC 1 2.956 1 4 -9.27525706180442 888451 CC(C)CN1C2=CC=CC=C2N=C1C3=CC=CS3 1 4.621 2 0 -3.65754226429104 888450 CC1=CC(=O)N=C(N1)SCC(=O)N2CCC3=CC=CC=C3C2 1 1.891 3 2 0 -22.8867276688166 888436 CCC1=C(C=C(C(=C1)C(=O)COC2=CC=C(C=C2)F)O)O 1 3.733 0 4 5.94058305965125 888433 CCNC(=S)NC1=CC=C(C=C1)OC(F)(F)F 1 4.981 2 1 -4.66313408786162 888424 CCC(=O)NC1=CC=CC(=C1)C(=O)C2=CC(=C(C=C2)C)C 1 3.993 1 2 -4.88114898807954 888423 COC(=O)CN1CC(=O)N(C1=S)C2=CC=CC=C2 1 1.958 2 3 0 -9.93661845973166 888422 CC1=C(C=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Cl)C 1 4.779 1 1 0.957831555825086 888413 CC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CC=C3C 1 3.766 2 3 -9.3840380264204 888406 COC(=O)C1=CN(C2=CC=CC=C21)C(=O)C3=CC=C(O3)Br 1 3.596 1 4 -2.75937418619828 888395 C1=CN=CC=C1C2=NOC(=N2)C3=CC=C(O3)Br 1 1.957 3 2 0 4.93175485122409 888389 CC(C)(C(=O)NC1=CN=CC=C1)OC2=CC=C(C=C2)Cl 1 2.759 2 2 -1.25006045462971 888386 CC1=C(OC2=CC=CC=C12)C(=O)N3CCCC4=CC=CC=C43 1 4.432 1 2 -0.530290950072134 888381 COC(=O)COC1=CC=CC(=C1)NC(=O)COC2=CC=CC=C2 1 2.14 1 5 -9.93218648500287 888377 CC(C)(C)N(CC1=CC=CC=C1)C(=O)C2=CC=C(O2)Br 1 3.722 1 2 -4.81013395909176 888375 COC1=C(C=C(C=C1)C(=O)NCCC2=CCCCC2)[N+](=O)[O-] 1 3.243 2 4 -14.944569605142 888373 CC(C)(C(=O)NCC1=CC=NC=C1)OC2=CC=C(C=C2)Cl 1 2.766 2 2 -3.24390971204932 888367 CC1=C(C=CC=C1NC(=O)C2=CC=CS2)C(=O)OC 1 2.909 1 3 -8.30888452674677 888361 C1=CC=C(C(=C1)CNC(=O)C2=CC=C(O2)Br)Cl 1 3.249 1 2 -9.42390927563261 888358 CC1=CC(=C(C=C1C)OCC(=O)NC2=CC3=C(C=C2)OCO3)C 1 3.676 1 4 -6.13821370227613 888356 CCNC1=C(C=C2C(=C(C(=O)OC2=C1)CN3CCOCC3)C)C 1 2.711 2 3 -7.97706190492212 888352 CC1=CC(=C(C=C1)O)NC(=O)CCC2CCCCC2 1 4.022 1 2 -5.33329136065006 888350 C1=CC(=CC=C1CC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O)[N+](=O)[O-] 1 1.37 3 5 0 -11.3337808390093 888345 CC1=CC(=C(C=C1)OCCN2CCCCCC2)C 1 4.298 1 1 4.50783301163647 888341 C1=CC=C(C(=C1)CC(=O)NCC2=CC=CC=C2Cl)[N+](=O)[O-] 1 3.215 2 3 -15.023953886216 888339 CC(C)N(C(C)C)C(=O)CC1=CC=CC=C1[N+](=O)[O-] 1 2.625 2 3 -8.39182815719625 888337 CC1=C(C=CC(=C1)C(C)(C)C)OCCN(C)C 1 3.838 1 1 5.10115969138454 888323 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC=NN2 1 1.913 4 4 0 -13.8698246886719 888322 C1COC2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3[N+](=O)[O-] 1 2.329 2 5 0 -13.751147779727 888315 C1=CC=C(C(=C1)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3N)F 1 3.268 4 1 -13.2898333630301 888314 CC1=C(C(=CC=C1)OCC2=NC(=NO2)CC3=CC=CC=C3OC)C 1 3.971 2 3 -4.51260492013923 888310 CC1=CC(=C(C(=C1)OCC(=O)N2CCCCCC2)C)C 1 3.911 1 2 -5.4475475412045 888298 CC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3)C 1 2.967 3 1 8.73328200536538 888293 CC(=O)OC1=CC(=C(C=C1)NC(=O)C2CCCCC2)C(=O)O 1 2.474 1 5 -6.64006254307597 888289 C1CN(CCC1C(=O)N)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3 1 2.493 2 2 -9.96872384587903 888278 C1OC2=C(O1)C=C(C=C2)CNC(=O)OC3=CC=CC=C3 1 2.945 1 4 -6.46095713303048 888274 COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])OC 1 3.142 2 5 0 5.55033247886763 888214 CC1=C(C(=CC=C1)OCC(=O)NC2=NC=CS2)C 1 2.419 2 2 -4.47018457436581 888212 CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)OC 1 3.512 2 3 -10.7259956780269 888211 C1CN(CCN1C=O)C(=O)C2=CC=C(O2)Br 1 0.345 2 3 0 -6.26160883135335 888205 CC1=CC(=C(C(=C1)OCC(=O)N2CCOCC2)C)C 1 2.225 1 3 -7.01584399098009 888175 C1=CC(=C(C=C1Cl)Cl)C(=O)N2C=NN=C2N 1 1.972 4 1 0 1.10776494052084 888160 CCCC(CCC)C(=O)NC1=CC=CC(=C1)C(=O)O 1 3.534 1 3 -10.2931705572929 888155 COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-] 1 2.139 4 4 0 -6.60253206672681 888153 CC1=CC(=C(C(=C1)Br)OCCN(C)CC2=CC=CC=C2)C 1 5.256 1 1 6.42906329005299 888130 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3)C 1 3.234 3 1 -1.27408253911038 888125 CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC(=C3)OC)OC 1 3.734 1 3 9.78198190820457 888120 CC1=CC=CC(=C1)C2=NOC(=N2)C3=CC=C(C=C3)F 1 3.836 2 1 11.975722664652 888114 CCCC(CCC)C(=O)NC1=CC=NC=C1 1 2.754 2 1 -8.80473848223168 888110 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)CC(=O)O 1 2.232 1 3 -8.54475759967453 888109 CC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 1 2.983 2 2 -10.3783172483991 888108 C1=CC=C(C=C1)C(CC(=O)NC2=NC=NN2)C3=CC=CC=C3 1 2.691 4 1 -11.3970279853903 888088 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)NC(=O)C)Cl 1 2.534 2 3 -10.4577944620852 888063 CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CN=CC=C4 1 3.696 3 1 -5.58014279855724 888061 C1=CC(=CN=C1)C(=O)NCC2=CC=C(C=C2)F 1 1.676 2 1 0 -8.2015812203596 888059 C1CCC(CC1)NC(=O)NCC2=CC=NC=C2 1 1.66 3 1 0 -9.25076535425773 888046 CC1=CC=C(O1)/C=C/C(=O)NC2=CC=C(C=C2)N(C)C 1 2.785 2 2 -6.14923377053287 888031 CCOC(=O)NC1=NC(=CS1)C2=C(C=C(C=C2)Cl)Cl 1 4.215 2 2 2.93485619512855 888012 CCOC(=O)N1CCN(CC1)C2=CC=CC(=C2C)C 1 3.173 2 2 3.12980260094116 888010 CCC(CC)C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC 1 2.703 1 5 -11.6700790779069 888006 CCC1=CC(=CC=C1)NC(=O)CCC(=O)O 1 1.738 1 3 0 -8.47443364435005 887992 CC1=CC=C(O1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.004 4 2 0 -0.885353477681748 887990 C1=CC(=C(C(=C1)Cl)/C=C/C(=O)NC2=CN=CC=C2)F 1 2.801 2 1 -5.6717678406348 887988 C1CC1C(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 3.268 1 2 -3.49894158415111 887966 C1=CC(=CN=C1)CNC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 2.029 3 3 -9.32402685887651 887949 CC1=C(C(=O)N=C(N1C2=CC(=C(C=C2)O)C(=O)O)C)C3=CC=CC=C3 1 2.415 2 4 -1.14717230949557 887942 C1=CC=C2C(=C1)N=CN2C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] 1 3.558 3 3 -3.78992449898778 887930 C1=COC(=C1)C(=O)NCC2=CC(=C(C=C2)Cl)Cl 1 3.345 1 2 -5.06221151820423 887924 CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=CC4=C(C=C3)OCO4)Cl 1 4.686 1 3 -1.30986009465169 887923 CCOC(=O)NCCC1=CC=C(C=C1)OC 1 2.254 1 3 -7.19843597162064 887918 CC1=C(C=CO1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 1.649 1 4 0 -7.41378352330076 887905 COC(=O)C1=C(C=CS1)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.317 2 5 0 -12.5025545757872 887901 CCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)N)NC(=O)C)C 1 2.345 2 2 -4.8219699027399 887895 CCOC1=CC=CC=C1NC(=O)C2=C(OC=C2)C 1 2.196 1 3 -7.24656850612827 887885 CCN1C=C(C(=N1)C)CNC(=O)C2=C(C=CC(=C2)Cl)OC 1 2.55 3 2 -10.1451456282498 887884 C1CCC(CC1)NC(=O)N2CCCC3=CC=CC=C32 1 3.541 2 1 -10.4938249815422 887876 CC1=C(SC(=N1)NC(=O)C2=CC=NC=C2)C(=O)OC 1 0.89 3 3 0 -10.3394684081499 887870 C1=CSC(=C1)CNC(=O)/C=C/C2=CC=C(C=C2)Br 1 3.577 1 1 -7.82225817015545 887859 COCC1=NN=C(S1)NC(=O)CSC2=CC=CC=C2 1 1.479 3 2 0 -12.4903595679869 887858 CC(C)C1=CC=C(C=C1)C(=O)NC2=CN=CC=C2 1 2.658 2 1 -4.35792383490328 887844 C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)/C=C/C3=CC=C(C=C3)F)N 1 3.146 5 1 -9.02335060037231e-002 887841 C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=CC(=C(C=C3)Cl)Cl 1 3.718 1 3 -7.68252565592016 887831 C1CCC(C1)C(=O)NCC2=CC(=C(C=C2)Cl)Cl 1 3.956 1 1 -4.66653860214179 887830 CC1=CC=C(O1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 1.93 1 4 0 -7.24941855758531 887818 C1COCCN1C2=CC=CC=C2NC(=O)/C=C/C3=CC=CO3 1 2.327 2 3 -6.39189253877123 887801 CC1=CC=C(O1)C(=O)NC2=CC=CC=C2C(=O)N 1 1.157 2 3 0 -5.21216499629194 887779 CC(C)C1=NN=C(S1)NC(=O)CC2=CC=C(C=C2)Br 1 3.262 3 1 -10.4372343544838 887717 COCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.453 3 3 0 -6.73650115560353 887761 CCOC(=O)NC1=NC(=CS1)C2=C(C=C(C=C2)F)F 1 3.297 2 2 1.41605459258762 887759 CCOC1=CC=C(C2=CC=CC=C21)/C=C/[N+](=O)[O-] 1 3.05 1 3 7.8147867621658 887745 C1=CC=C(C=C1)CCC(=O)NC2=NNN=N2 1 1.476 5 1 0 -9.76575025738963 887742 C1=CC(=CC(=C1)Cl)/C=C/C(=O)NCC2=CC=CS2 1 3.493 1 1 -5.28819697224491 887715 C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C=C2)Cl)F)Br 1 4.233 1 1 -1.00661227411937 887709 C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 1.257 1 5 0 -7.69546623886396 887708 C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl 1 3.61 2 2 -9.53610499380443 887698 CC1=C(C=CO1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 1.638 1 4 0 -8.11702283685081 887696 CC1=CC=C(C=C1)/C=C/C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.863 1 3 -10.2184988264655 887692 CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)OC 1 1.775 2 5 0 -16.1820227732634 887689 CC1=CC(=NN1C(=O)C2=C(C=CC(=C2)Cl)OC)C 1 3.004 2 2 -6.14273535878481 887674 CC(=O)C1=CC(=CC=C1)NC(=O)C2CCCC2 1 2.36 1 2 -1.67014044773099 887666 C1=CC=C2C(=C1)N=C(N2CC3=CC(=C(C=C3)Cl)Cl)N 1 4.258 3 0 2.93255711688364 887648 CCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC 1 2.703 1 5 -13.996448447792 887645 CCOC(=O)C1=C(SC(=C1)C)NC(=O)C2=CC=C(S2)Cl 1 3.163 1 3 -1.63275616184453 887634 C1CCC(=CC1)CCNC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 3.294 2 3 -16.2642762054144 887627 C1OC2=C(O1)C=C(C=C2)NC(=O)CC3=CC=CC=C3[N+](=O)[O-] 1 2.312 2 5 0 -12.3058466261585 887625 C1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3[N+](=O)[O-] 1 4.173 2 3 -8.86131418201179 887620 CCC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=CC=C2Cl 1 3.393 1 4 -11.7414451399857 887582 C1CN(CCC1CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)F 1 3.942 1 2 -1.55031215479662 887579 CC(C)(C(=O)NCC1=CC=CO1)OC2=CC=C(C=C2)Cl 1 3.098 1 3 -4.87339193581583 887578 C1=CC=C2C=C(C=CC2=C1)C(=O)COC(=O)C3=NC=CN=C3 1 1.976 2 3 0 -9.21333658910701 887553 COC1=C(C=C(C=C1)CCNC(=O)OC2=CC=CC=C2)OC 1 3.465 1 4 -9.573098485956 887542 C1CCC(CC1)CCC(=O)NC2=CC=CC=C2O 1 3.536 1 2 -5.34486009548735 887538 CC1=CC(=NN1C2=NN=C3N2N=C(CS3)C4=CC=CC=C4)C 1 2.991 6 0 -8.10104736500653 887512 CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=CO3 1 4.119 3 2 -2.65439742517536 887507 COC1=CC=C(C=C1)CNC(=O)COC2=CC=C(C=C2)F 1 2.646 1 3 -8.15636678776786 887499 COC1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-] 1 3.158 2 4 7.49126585825089 887498 COC1=CC=C(C=C1)CNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 2.334 2 5 0 -10.9626416005903 887497 CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)C)NC(=O)C 1 3.034 1 4 -16.4948343035858 887488 C1=CC=C(C(=C1)C(=O)COC(=O)C2=NC=CN=C2)Cl 1 1.733 2 3 0 -9.71445928292603 887474 C1=CC=C(C(=C1)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3N)Cl 1 3.727 4 1 -13.0710510613687 887468 CC1=CC=C(C=C1)C2=NOC(=N2)CC(C3=CC=CC=C3)C4=CC=CC=C4 1 5.406 2 1 2.04741739343997 887467 CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.422 2 5 0 -15.2346461617787 887464 CC1=C(C=C(C=C1)C(=O)N2C=NN=C2N)C 1 1.615 4 1 0 -1.77453961665546 887455 C1=CC=C(C=C1)C(CC2=NC(=NO2)C3=CN=CC=C3)C4=CC=CC=C4 1 3.769 3 1 -1.24987418286597 887452 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)OC3=CC=CC=C3 1 3.634 2 2 0.919875738025228 887434 CC1=CC(=C(C(=C1)OCC2=NC(=NO2)C3=CN=CC=C3)C)C 1 3.288 3 2 1.94536994393365 887413 CC1=C(C=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC)C 1 4.605 1 3 -0.959774680300318 887396 CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)SC)Cl 1 3.955 1 2 -8.20663652543315 887372 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C)C 1 2.707 2 2 -8.39650385103773 887356 CC1(CC(CC(N1)(C)C)NC(=O)CC2=CC=CC=C2[N+](=O)[O-])C 1 1.707 3 3 0 -17.7062042580296 887345 CC1=C(C=CC=C1NC(=O)CC2=CC=C(C=C2)OC)C(=O)OC 1 2.974 1 4 -8.47419198868979 887333 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)C 1 2.307 2 2 -6.05232421267589 887297 C1=CC(=CN=C1)C(=O)OCC2=CC=C(C=C2)Br 1 2.866 1 2 -4.79097256579667 887290 CC1=CC(=C(C=C1)OC)NC(=O)C2=C(OC=C2)C 1 2.333 1 3 -5.50613628421381 887287 C1=CC(=CN=C1)C(=O)NCC2=CC(=C(C=C2)Cl)Cl 1 2.799 2 1 -7.2286099033286 887275 CC1=CC(=NC=C1)NC(=O)CCC2CCCCC2 1 3.653 2 1 -7.63406171559121 887265 C1=CSC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)Br 1 2.812 1 2 -5.26942340461589 887264 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.358 3 4 0 -10.5131573219065 887263 C1COCCN1C(=O)/C=C/C2=C(C=CC=C2Cl)Cl 1 2.728 1 2 -7.11668603856142 887251 CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=NOC(=C3)C)Cl 1 4.057 2 2 -7.44011362785675 887238 COC1=NC(=NC(=N1)NCC2=CC=C(C=C2)Cl)OC 1 3.06 4 2 -0.988090654789296 887220 C1COCCN1C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.358 3 4 0 -8.58344310122301 887219 CC1=CC(=C(C=C1)NC(=O)C2CCCC2)C 1 3.593 1 1 -1.22359277815366 887215 CC1=C(C=CO1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 0.244 4 2 0 -1.64556557721937 887191 CC1=C(C=C(C=C1)C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)[N+](=O)[O-] 1 4.493 2 4 -7.36489194064627 887181 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.15 1 5 -8.82634192970518 887167 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(OC=C3)C 1 2.821 2 3 -3.72406198315691 887160 C1=CC(=C(C=C1Br)C=NO)OCC(=O)O 1 1.87 1 4 0 1.15518309836687 887149 CCC1=CC(=CC=C1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 3.486 2 3 -5.98101270651938 887145 C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)O 1 3.839 4 2 -6.77158092085029 887140 CC1=CC=C(S1)C=NN2CCN(CC2)CC3=CC=CC=C3 1 3.203 3 0 4.43870205089421 887128 CS(=O)(=O)N(CC(=O)N1CCOCC1)C2=CC(=CC=C2)[N+](=O)[O-] 1 -0.206 3 6 0 -17.3076789866181 887125 COC1=CC2=C(C=C1/C=C/3\C(=O)N(C(=O)N3)C4=CC=CC=C4)OCO2 1 2.27 2 5 0 -4.66929776038686 887121 CCC1=CC=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C 1 0.842 2 4 0 -14.8650209935747 887104 C1CN2C(N2C1)C3=C(C=CC=C3Cl)Cl 1 2.444 2 0 -1.46102211452812 887096 COC1=C(C=C(C=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2)Cl 1 3.05 1 4 -6.42577515899797 887076 C1=COC(=C1)C2=NNC(=S)N2N=CC3=C(C=C(C=C3)Cl)Cl 1 4.471 4 1 1.05078715126356 887070 CC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O 1 2.101 2 6 0 -7.81746916133417 887048 CN(CC1=CC=CC=C1)C(=O)COC2=CC=C(C=C2)OC 1 2.646 1 3 -8.06541159448616 887043 CC(C)OC1=CC=C(C=C1)C(=O)NC(C)(C)CO 1 1.791 1 3 0 -8.66682307576809 887037 CN(C)CCNC(=S)NC1=CC(=CC=C1)Cl 1 3.315 3 0 -3.15359340991794 887036 C1CCCC(CC1)NC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 3.113 2 2 -6.94936697568205 887034 C1=CC=C(C=C1)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl 1 5.424 2 0 -5.88074813583245 886975 CC1=NC2=C(N1)C=C(C=C2)N3C(=O)CCC3=O 1 0.766 3 2 0 -8.47680629774907 886983 COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC3=C(C=C2)OCCO3)OC 1 2.835 1 5 -12.4698364124493 887021 CC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3 1 3.892 2 2 -15.0714579623641 887018 CN(C)S(=O)(=O)N1C=NC(=C1C2=CC=CC=C2)C3=CC=CC=C3 1 2.845 3 2 -1.0010691206162 887010 CC1=CC(=CC=C1)NC(=S)NCCC(C)C 1 4.579 2 0 -10.2041983857076 887006 COC(=O)COC1=CC=C(C=C1)C(=O)OC 1 1.376 0 5 0 -8.0833510616423 887002 CC1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)C(C)(C)C 1 4.281 1 1 -4.9028203672755 886966 CC(C)COC1=CC=C(C=C1)C(=O)NCC2=CC=CO2 1 2.978 1 3 -12.6335427605653 885550 CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)N3C(=O)C=CC3=O 1 3.323 2 3 -1.83183112067805 885548 CC1=CC(=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C)Cl 1 4.915 1 1 -0.889127353271325 885541 C1=CC=C(C=C1)CCCC(=O)NC2=CC=CC=C2C(=O)N 1 2.564 2 2 -10.1857995192014 885528 C1=CC=C(C=C1)CCCC(=O)NCC2=CC=C(C=C2)Cl 1 4.233 1 1 -10.1565536621615 885527 CC1=CC=C(C=C1)C2=NOC(=N2)CCCC3=CC=CC=C3 1 4.578 2 1 4.24492093203791 885515 COC(=O)/C=C/C1=CC=C(C=C1)OC(=O)C2=CC=NC=C2 1 2.434 1 4 -7.9109025371159 885509 C1CN(CCC1C(=O)O)S(=O)(=O)/C=C/C2=CC=CC=C2 1 0.991 1 4 0 -5.32305745311976 885504 CN1C=CC=C1C=NN2C(=NNC2=S)C3=CC=C(C=C3)OC 1 3.321 5 1 -5.73370413551609 885501 C1=CC(=CC=C1N2C(=CC(=O)NC2=S)O)Cl 1 3.393 2 2 -1.84623763261422 885495 CC1=CC(=NC=C1)N(C(=O)C2=CC=CS2)C(=O)C3=CC=CS3 1 4.05 2 2 -6.55109889253897 885494 CC1=CC=C(O1)/C=C\2/C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F 1 2.721 2 4 -1.35421503023444 885485 CC1=C(SC=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3 1 4.186 4 0 -3.03934719455077 885474 C1CN(C2=CC=CC=C21)C(=O)/C=C/C3=CC=CS3 1 3.316 1 1 -7.40343626666733 885464 CC(=C1C(=O)N=C(S1)N2CCN(CC2)CC3=CC=CC=C3)C 1 3.363 3 1 -2.00313118102459 885459 CC1=CC=C(N1C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3)C 1 3.781 2 1 -7.90307135157132 885456 CCOC(=O)CC1=C(C2=CC=CC=C2NC1=O)Cl 1 1.82 1 3 0 -9.8269978474569 885451 CN(C1CCCCC1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3 1 3.886 2 2 -9.88301066109746 885449 C1=CC(=CC=C1C(=O)ONC2=CC=C(C=C2)N=O)Br 1 4.092 2 3 -0.318859340831511 885436 CCSC1=NC(=O)C=C(N1CC=C)O 1 2.065 2 2 -12.6521900184281 885433 CC1=CC(=NOC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C=C(C1=O)C 1 3.03 2 5 0 -3.45224418295181 885431 C1CCC(=C2C(=O)N=C(S2)N3CCOCC3)CC1 1 2.507 2 2 -7.41445065796154 885397 C1=CC(=CC=C1N2C(=CC(=O)NC2=S)O)F 1 2.934 2 2 -2.95635929773579 885389 CC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=C(C=C3)OC 1 2.927 0 5 -4.16357404368542 885369 CC1=CC=C(S1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)Cl 1 4.51 4 0 0.55080944365384 885350 CC1=CC(=C(C=C1O)C)NC(=O)C2=CC=C(C=C2)Cl 1 4.009 1 2 -2.10923546416009 885342 CCN1C(=CC(=O)N=C1SCC)O 1 1.797 2 2 0 -7.6936258059733 885341 C1=CC=C(C(=C1)C(=O)ONC2=CC=C(C=C2)N=O)Br 1 4.092 2 3 -0.473034855841039 885340 COC1=CC=CC(=C1)COC2=CC3=C(C=C2)C=CC(=O)O3 1 3.45 0 4 -3.6908930302239 885337 CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC(=CC=C3)OC 1 3.896 0 4 -4.08576990224811 885324 CC1=C(C(=O)C2=CC=CC=C2N1)C(=O)C 1 1.417 1 2 0 -7.61241789899122 885323 CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC3=CC=CC=C32 1 3.182 1 4 -12.1633067215951 885318 CC1=CC(=NOC(=O)/C=C/C2=CC=CC=C2)C=C(C1=O)C 1 3.603 1 3 -0.878840394179028 885311 CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.151 2 2 -12.6080901323831 885308 CC1=CC(=O)C=C(C1=NOC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C 1 3.03 2 5 0 6.16199945736728e-002 885302 CC1=CC(=NC=C1)N2C(=CC(=C2C)C=O)C 1 2.631 2 1 -2.03436536360379 885297 C1=CC=C(C=C1)CCCC(=O)NC2=CC=CC(=C2)C(=O)O 1 3.191 1 3 -8.66392013092789 885285 CC(=O)C1=CC=C(C=C1)CCCC(=O)O 1 2.146 0 3 -9.19020272712836 885280 CC1=CC=C(C=C1)C(=O)ONC2=CC=C(C=C2)N=O 1 3.83 2 3 -0.684198286316891 885277 C/C(=C\1/C(=O)N=C(S1)N2CCOCC2)/C3=CC=CC=C3 1 2.542 2 2 -7.69446386127918 885261 CN1C=CC=C1C=NN2C(=NNC2=S)C3=CC=C(C=C3)Cl 1 4.002 5 0 -3.49873923578513 885260 CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)C2=CC=C(C=C2)Cl 1 4.717 1 2 -2.9638849643853 885245 CC1=CC(=NC=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 4.3 3 1 -2.00736582237399 885243 COC1=CC(=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2)OC 1 3.596 2 4 -9.84753616112509 885237 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.499 3 4 0 -6.3194684907982 885236 C1=CC=C(C(=C1)NC(=O)CC2=CC=C(C=C2)Br)Cl 1 4.062 1 1 -4.23478433129834 885232 CC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=O)C(=C(C)C)S3)Cl 1 4.602 3 1 -2.01131498436333 885231 CSC1=NC=C(C=N1)/C=C\2/C(=O)NC(=O)N(C2=O)CC=C 1 0.971 4 3 0 -8.58795110090004 885226 CCN(C1CCCCC1)C(=O)C2=C(C=CC(=C2)Cl)OC 1 4.099 1 2 -4.18234609096145 885223 CC1=C(C=CC(=C1)C2=CSC(=N2)C3=CN=CC=C3)OC 1 3.476 2 1 7.4522286572174 885222 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NCC2=CN=CC=C2 1 2.725 4 3 0 -13.0315652813141 885201 CC1=C(C=C(C=C1)C(=O)NC2=NC(=CC(=N2)C)C)[N+](=O)[O-] 1 2.302 4 3 0 -11.1321086717538 885197 C1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)Cl 1 3.966 3 1 -0.275976326553756 885193 CCC1=CC=C(C=C1)NS(=O)(=O)N(C)C 1 1.274 2 2 0 -1.42177437211058 885189 CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CC 1 2.556 3 2 -8.09535084581773 885183 COC1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC=CO2 1 3.612 2 3 -8.9079668310241 885176 CC1=CC(=NC(=N1)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C 1 3.25 3 1 -5.93390791485784 885171 CCC(=O)NC(=S)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2 1 4.777 3 1 0.829230450134341 885153 CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)NC(=O)C)C(=O)C 1 2.017 3 2 2.03951822714487 885148 CC1=CC(=NC(=N1)NC(=O)/C=C/C2=CC=CC=C2Cl)C 1 3.054 3 1 -4.2905228281398 885129 CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2 1 4.66 3 1 -12.788603711012 885121 COC1=CC=C(C=C1)CCNC(=O)CC2=CC=CS2 1 2.914 1 2 -11.2297448601636 885114 CCOC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)OCC 1 3.054 1 5 -14.9976689581545 885098 CC1=CC(=NC(=N1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C 1 1.8 4 4 0 -12.4609097494357 885089 CCOC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 3.961 2 3 -7.4624870572653 885087 CC(=C1C(=O)N=C(S1)N2CCN(CC2)C3=CC(=CC=C3)Cl)C 1 4.116 3 1 1.75506822420755 885083 CN(C)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 3.791 3 2 -8.9445840750258 885080 CC1=CC(=NO1)NC(=O)/C=C/C2=CC=CC=C2Cl 1 2.885 2 2 -10.7746932901302 885074 CC1=CC(=NC(=N1)NC(=O)C2=CC(=CC=C2)Cl)C 1 2.586 3 1 -4.73625887930811 885052 C1CCN(C1)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CO3 1 4.252 3 2 -5.42812021084732 885043 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)Cl)Cl 1 3.718 1 3 -6.90796218214902 885036 CC1=CC(=NN1C2=NC3=C(C=CC=C3NS(=O)(=O)C)C=C2)C 1 2.121 4 2 -8.15531972040971 885031 CSC1=NC=C(C=N1)/C=C\2/C(=O)NC(=O)N(C2=O)C3CCCCC3 1 2.212 4 3 0 -4.87225762118189 885028 CC(C)CC(=O)NC1=CC=CC(=C1)C2=CSC(=N2)C3=CC=CC=C3 1 4.652 2 1 -0.437485537437471 885027 CC1=CC(=NC(=N1)NC(=O)CC2=CC=C(C=C2)Br)C 1 2.705 3 1 -7.13647973168249 885016 CCOC(=O)CC1=CSC(=N1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 2.208 3 5 0 -15.0557374899825 885007 CC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)SC)OC)C 1 4.112 1 2 -4.91898193460089 884999 C1=CSC(=C1)CC(=O)NC2=C(C=C(C=C2)F)F 1 3.013 1 1 -7.07916417207774 884992 CC1=CC(=C(C(=C1)C)C(=O)CSC2=NC(=O)C=C(N2)C)C 1 3.682 2 2 -15.0100729072721 884966 CN(C)S(=O)(=O)NC1=CC=CC=C1C(=O)N 1 -0.666 3 3 0 -6.21959237778854 884957 COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CN=CC=C2)OC 1 2.582 3 3 -11.6754391515658 884947 CCC(CC)NC(=O)C1=CC(=CC=C1)Br 1 3.56 1 1 -8.11547732979487 884946 COC(=O)C1=CC=CC=C1NC(=S)NC(=O)COC2=CC=CC=C2 1 3.456 2 4 -13.8241214129482 884944 CCC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)OC 1 2.932 3 4 0 -15.319109197881 884937 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2Cl 1 3.073 2 2 -5.53729847775538 884934 CCC(CC)NC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-] 1 3.174 2 3 -8.81063730159106 884932 COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2Cl 1 3.882 0 2 -1.61427667028008 884930 COC1=C(C=CC(=C1)SC)C(=O)NCCC2=CC=CC=C2 1 3.468 1 2 -5.60686616790791 884922 CCC(CC)NC(=O)CC1=CC=CC=C1[N+](=O)[O-] 1 2.741 2 3 -12.4089623250322 884918 C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=CC=C2Br 1 3.073 1 2 -5.77402467975319 884910 CCOC1=CC=CC=C1C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.98 2 4 0 -14.546978527421 884908 C1OC2=C(O1)C=C(C=C2)CNC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] 1 2.751 2 5 0 -9.50403701698827 884904 COC1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2 1 3.784 2 2 -8.24689768028492 884896 CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CC 1 2.556 3 2 -7.92277730821352 884886 CCN(C1=CC=CC=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 3.405 1 3 -5.84164287171081 884882 CCC(CC)NC(=O)/C=C/C1=CC=CC=C1Cl 1 3.944 1 1 -4.73417610924168 884879 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=CC=C2O)Cl 1 4.188 2 2 -4.2366828328408 884878 CC1=CC(=C(C=C1)O)NC(=S)NC(=O)/C=C/C2=CC=CC=C2 1 4.478 2 2 -1.63950986845857 884873 CCN(C1CCCCC1)C(=O)CC2=CC=C(C=C2)Br 1 4.234 1 1 -5.49372363941556 884872 CC(=O)NC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C 1 3.509 1 2 -4.02104215308218 884850 CC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl 1 5.384 2 1 -3.79670429036419 884843 CC1=CC(=NC(=N1)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C 1 2.48 4 3 0 -6.24750601314216 884833 CN(C)S(=O)(=O)NC1=C(C=C(C=C1)Br)F 1 1.285 2 2 0 1.65841431763113e-002 884829 CC1=CC(=NO1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 1.682 3 4 0 -18.5327922555635 884827 CCOC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=O)S2 1 3.939 2 2 -7.18142003583572 884822 C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CC=CC=C3[N+](=O)[O-] 1 2.318 2 5 0 -15.0636313507715 884787 CCC(CC)NC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C 1 3.192 2 3 -9.46276518231487 884783 CCNC(=O)CC1=CC=C(C=C1)Br 1 2.17 1 1 -6.8554110053442 884777 CC1=NC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 3.3 3 2 -5.02524710735563 884750 CC1=CC(=NO1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O 1 0.637 3 4 0 -16.03726078406 884747 CC(C)C(=O)NCCC1=CNC2=CC=CC=C21 1 2.701 2 1 -12.3063093336973 884737 CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2 1 3.588 3 2 -9.73244056884944 884731 CCC(CC)NC(=O)C1=CC=CC=C1OC2=CC=CC=C2 1 4.372 1 2 -6.84806245141732 884726 CC1=CC(=NC(=N1)NC(=O)C2=C(C=CC(=C2)Cl)OC)C 1 2.57 3 2 -5.89795582111837 884723 CCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)C 1 2.964 2 2 -15.6293387915941 884710 CC1=CC(=O)N(C(=C1)C)N=CC2=CC=C(C=C2)SC 1 3.029 2 1 -0.732249082053352 884699 CC1=CC2=C(C=C1)N=C(N=C2C)SCC3=CC(=CC=C3)[N+](=O)[O-] 1 4.697 3 2 -6.09170760270972 884669 CCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)OC 1 3.08 2 3 -18.017574634868 884656 CC(=O)N(C)C1=CC=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2 1 1.65 2 3 0 -7.72699530471207 884653 CC1=CC(=NC=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 3.031 3 2 -4.49395922842294 884651 CCN(C1CCCCC1)C(=O)/C=C/C2=CC=CC=C2 1 3.918 1 1 -4.09089433157723 884638 C1=CC=C(C(=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl)O 1 4.853 2 2 0.277267832968528 884618 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)OC 1 2.383 2 3 -5.92334062482797 884612 C1=COC(=C1)/C=C/C(=O)NC(=S)NC2=NC=C(C=C2)Cl 1 3.209 3 2 -3.7628431820048 884610 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2 1 1.777 2 4 0 -11.0621623596 884599 CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C)OCC 1 2.014 3 3 -17.4148448885583 884596 CC1=CC(=C(C=C1)S(=O)(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2)C 1 4.799 1 2 1.67477007257826 884579 CC1=CC(=NC(=N1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C 1 2.302 4 3 0 -11.8648480125874 884557 COC1=CC=CC=C1NC(=S)NC(=O)CC2=CC=CC=C2 1 3.784 2 2 -10.5296193762394 884535 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CN=CC=C2 1 2.996 4 3 0 -10.3047782252675 884517 CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=CC=C2 1 3.54 2 2 -10.5022896207867 884510 COC(=O)/C=C\1/C(=O)N=C(S1)NC2=CC(=C(C=C2)Cl)Cl 1 3.445 2 3 -4.05770939297354 884509 COC(=O)/C=C/1\C(=O)N=C(S1)NC2=CC(=C(C=C2)Cl)Cl 1 3.445 2 3 -4.05770939297354 884505 CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CO2 1 2.948 3 3 -9.38020573458582 884487 CC1=NC(=CC=C1)NC(=O)CC2=CC=C(C=C2)Br 1 3.069 2 1 -3.82341551996586 884463 CC1=CC(=NC(=N1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C 1 2.302 4 3 0 -8.90550693026482 884461 C1CCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)N 1 0.417 4 2 0 -16.4001436876733 884458 CN(C)S(=O)(=O)NC1=CC=C(C=C1)C(=O)OC 1 0.187 2 4 0 -5.17473924330983 884456 COC1=CC=C(C=C1)CCNC(=O)C2=C(C=C(C=C2)SC)OC 1 3.451 1 3 -5.03624462336301 884449 CC1=C(C=C(C=C1)Cl)NC(=O)CC(C)(C)C 1 3.682 1 1 -5.84338506839086 884446 CCC(C)(C)C(=O)NC1=C(C(=CC=C1)Cl)C 1 4.103 1 1 -3.47249954421005 884438 CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)NC(=O)C(C)C)C(=O)C 1 3.147 3 2 -1.3770861027715 884423 CCC(=O)NC(=S)NC1=NC=C(C=C1)Cl 1 2.349 3 1 -4.368793798126 884416 CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 3.416 3 3 -9.40681488940832 884414 C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl 1 3.966 3 1 -2.59847878686595 884397 CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 5.77 2 1 -5.13283815530684 884378 CC1=CC(=C(C=C1)O)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 3.873 2 3 -2.13216076683635 884367 C1=CC=C(C=C1)C2=NC(=CS2)C3=CC(=C(C=C3)O)O 1 3.673 1 2 13.5855964458971 884362 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)OC)C 1 3.864 2 2 -0.659722513632924 884355 COC1=C(C=C(C=C1)CC(=O)N2CCC(CC2)C(=O)OC)OC 1 1.573 1 5 0 -13.1523903299008 884351 CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 2.749 3 3 -9.47321543316639 884342 CC(C)SC1=NC(=O)C=C(N1)C2=CC=CC=C2 1 2.929 2 1 -7.36271780515487 884339 CCC(=O)NC(=S)NC1=CC=CC=C1F 1 2.974 2 1 -7.1396596200789 884338 CC1=CC(=NC(=N1)NC(=O)C2=CC(=CC=C2)Br)C 1 2.67 3 1 -6.76730200893 884330 COC1=CC(=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2)OC 1 3.768 2 3 -11.3981699358527 884329 CC1=CC(=C(C=C1)O)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl 1 4.709 2 2 -1.04598094619757 884295 CCOC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 4.125 1 4 -3.92662223545514 884294 CC1=CC(=NO1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC 1 1.503 3 6 0 -18.576800889176 884291 COC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 3.776 1 4 -7.34169883749522e-003 884284 C1CCN(C1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F 1 4.594 3 1 -6.72868004627346 884265 CCOC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 4.125 1 4 -0.773564850545518 884233 C1=CC=C2C(=C1)C=CC=C2OC3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 4.478 1 3 -0.262803948809164 884230 CC1=C(C=CC=C1N)C2=NC3=CC=CC=C3N2 1 3.01 3 0 4.69442758266315 884225 CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)N)C(=O)C 1 2.15 3 1 4.69139472251889 884221 CC1=NC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2 1 3.905 3 1 -4.53259620897786 884216 CC(=O)NC1=CC(=CC=C1)NC(=O)CCC2=CC=CC=C2 1 2.226 2 2 -10.3653175563897 884211 CC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2)/Cl 1 3.191 1 2 -5.58287821882815 884209 CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2 1 3.553 3 2 -11.081705700282 884205 CC(=C1C(=O)N=C(S1)N2CCN(CC2)C3=CC=C(C=C3)Cl)C 1 4.116 3 1 -0.825528234740778 884195 CC(C)CC(=O)NC(=S)NC1=C(C=C(C=C1)OC)OC 1 3.444 2 3 -13.4689036023043 884190 CC(C)(CO)NC(=O)NC1=CC(=C(C=C1)Cl)Cl 1 2.318 2 2 -4.41714815119598 884189 CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=CC=C2 1 3.588 3 2 -9.65726125777002 884181 CC1=CC(=NC(=N1)NC(=O)C2=C(C=C(C=C2)SC)OC)C 1 2.447 3 2 -5.27164566122128 884165 C1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N 1 1.794 2 3 0 -11.181685124388 884161 COC1=CC=CC=C1CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.666 2 4 0 -16.4076826195101 884154 C1=CC(=CC(=C1)Cl)NC(=O)CC2=CC=C(C=C2)Br 1 4.062 1 1 -1.48657934601903 884152 CCC(CC)NC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC 1 2.673 2 5 0 -13.1124687418987 884141 CC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C 1 2.655 3 1 -3.7479584941703 884135 C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 4.743 2 1 -3.56551310804083 884134 CC1=CC(=CC=C1)NC(=S)NC23CN4CN(C2)CN(C3)C4 1 2.702 5 0 -5.75611733900541 884131 CC1=CC(=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2)O 1 4.045 2 2 -4.22206088418193 884128 CC(=O)NC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2)/Cl 1 2.571 2 2 -5.05811342478473 884122 COC1=CC=CC=C1CC(=O)N2CCC(CC2)C(=O)OC 1 1.589 1 4 0 -11.1128217934707 884114 CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)C3=CN=CC=C3 1 2.127 3 1 -6.31332922780503e-002 884094 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3 1 5.284 2 1 -5.58252375572843 884092 CC1=C(N=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2 1 4.108 3 1 -4.05019530172848 884084 CCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCOCC2 1 2.618 3 2 -7.97762546384936 884076 CC(C)CC(=O)NC1=C2C=CC=C3C2=C(CC3)C=C1 1 3.834 1 1 -7.63605711199802 884068 CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)OC 1 2.624 2 3 -12.9921666866049 884058 COC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2 1 2.039 1 3 -6.10540105660635 884056 COC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2OC3=CC=CC=C3 1 3.131 1 4 -6.51410100634745 884049 CC1=CC(=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2)O 1 3.873 2 3 -2.67142710945429 883995 CC1=CC=C(C=C1)C(=O)/C=C/C(=O)C2=CC=C(C=C2)C 1 4.56 0 2 1.4456552506495 883996 COC1=CC=C(C=C1)NC(=S)NC23CN4CN(C2)CN(C3)C4 1 2.199 5 1 -8.05672910147868 884010 COC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)Cl)Cl 1 4.546 0 2 2.73126099851685 884011 CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 3.656 3 3 -12.4708018707233 884012 CC1=C(C=C(C=C1)C(=O)NC2=NC(=CC(=N2)C)C)C 1 2.894 3 1 -7.32075681615303 884046 CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C(F)(F)F 1 4.419 2 1 -9.76171096468799 884024 CCC(C)(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F 1 3.052 2 3 -6.48783147384225 883988 CC1=C(N=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 3.503 3 2 -4.54284620010626 883952 C1CCC(CC1)CN2CCC(CC2)C(=O)N3CCCC3 1 2.855 2 1 -2.82586630133344 883949 C1CCN(C1)C(=O)C2CCN(CC2)CC3=CC=CC=C3 1 2.25 2 1 -1.39569796685771 883940 CC(C)CN1CCC(CC1)C(=O)N2CCN(CC2)C3=CC=CC=C3F 1 3.232 3 1 -0.472561615711884 883887 C1CN(CCC1C(=O)NCCN2CCOCC2)CC3=CC=CC=C3O 1 1.168 3 3 0 -3.86741929158024 883876 COC1=CC=C(C=C1)CNC(=O)C2CCNCC2 1 1.031 2 2 0 -11.7185276801303 883858 CC1=C(C=CC(=C1)OCC(=O)NC(C)(C)C)Cl 1 2.955 1 2 -9.10681821156937 883855 CC1=CC=CC=C1C(=O)NC2=CC=C(C3=CC=CC=C32)N(C)C 1 4.171 2 1 -12.3527866274398 883848 CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C=C2 1 2.361 2 3 -2.0869659808931 883837 C1CCN(C1)C(=O)COC2=CC=CC=C2Cl 1 2.204 1 2 -6.48994690849691 883824 C1CN(CC2=CC=CC=C21)C(=O)COC3=CC=CC=C3Cl 1 3.401 1 2 -10.009328132646 883780 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.156 4 3 0 -4.87845404370335 883781 CC1=CC(=CC=C1)OCCC(=O)NC2=C(C=C(C=C2)Cl)F 1 4.054 1 2 -2.38694273119295 883810 CC1=CC=CC=C1OCCC(=O)NC2=C(C=C(C=C2)Cl)F 1 4.054 1 2 -3.00052933268418 883800 CC1=CC(=CC=C1)OCCC(=O)NC2=CC(=C(C=C2)F)F 1 3.595 1 2 -3.82560914363312 883796 C1=CC=C(C(=C1)OCC(=O)NC2=NC=C(C=C2)Cl)Cl 1 3.167 2 2 -4.18490116410086 883795 CC1=C(C=CC(=C1)OCC(=O)NC2CCCCC2)Cl 1 3.882 1 2 -6.40569937060107 883790 COC1=C(C=C(C=C1)CCNC(=O)NC2=C(C=C(C=C2)F)F)OC 1 3.229 2 3 -11.0000318550308 883766 CN(C)C1=CC=C(C2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.579 3 3 -13.0770355517497 883764 CC1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C=C2 1 3.321 1 1 -4.49514615614895 883752 C1CN(CCC1C(=O)N)C(=O)C2=CC3=CC=CC=C3C=C2 1 1.626 2 2 0 -1.69745503587811 883742 CC1=C(C=CC(=C1)OCC(=O)N(C(C)C)C(C)C)Cl 1 3.682 1 2 -4.84672410116809 883723 CC1=CC=CC=C1OCCC(=O)NC2=CC(=C(C=C2)F)Cl 1 4.054 1 2 -3.37657204255199 883715 CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC=NC=C3)C 1 2.743 5 1 -5.79266784277882 883710 CC1=C(C=CC(=C1)OCC(=O)NC(C)C)Cl 1 2.75 1 2 -10.5411095976656 883703 CC1=CC=CC=C1C2=NC(=NO2)CC3=CC=C(C=C3)Cl 1 4.33 2 1 1.88761516213524 883692 CC1=C(C=CC(=C1)OCC(=O)N2CCCC2)Cl 1 2.69 1 2 -4.93846312191801 883690 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC3=C2CCCC3 1 4.078 1 4 -9.92652402826067 883674 COC1=C(C=C(C=C1)C2=NC(=NO2)CC3=CC=C(C=C3)Cl)OC 1 3.811 2 3 -1.52238263380721 883668 CN(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OC 1 3.912 3 2 -11.9178190953223 883657 CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC 1 3.264 2 3 -13.6211566619965 883647 CN1CCN(CC1)C(=S)NC2=CC=CC(=C2)C(F)(F)F 1 3.947 3 0 -3.49688761044342 883645 C1CCN(CC1)C(=S)NC2=CC=C(C=C2)F 1 4.17 2 0 -9.90785954947166 883633 CCOC(=O)C1=CN(N=C1C2=CN=CC=C2)C3=CC=CC=C3 1 3.057 3 2 1.8495621101082 883632 CC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)N)O 1 2.016 3 3 -12.7914511805118 883631 COC1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2F 1 4.284 2 1 -7.57135895730101 883613 C1=CC=C(C=C1)CCNC(=S)NC2=CC=CC=C2Cl 1 5.081 2 0 -7.42224479919044 883611 CC1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)F 1 4.787 2 0 -4.30845886181793 883610 CN1CCN(CC1)C(=S)NC2=CC=CC=C2Cl 1 3.669 3 0 -6.30153037688308 883601 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O)C 1 4.735 1 3 -4.93864451723791 883594 C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3Cl 1 5.253 3 0 -5.39401194858878 883587 CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)[N+](=O)[O-])C=O 1 3.712 2 3 -2.84737426271483 883585 C1CC1C(=O)NC2C3CC4CC(C3)CC2C4 1 2.388 1 1 -4.39781290204792 883582 C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3F 1 4.794 3 0 -6.6495273670286 883581 CC1=C(C=C(C=C1)OCC(=O)NC2=CNC(=O)NC2=O)C 1 0.285 3 4 0 -13.6587218301365 883579 C1COCCN1C(=S)NC2=C(C=C(C=C2)Cl)Cl 1 4.064 2 1 -8.79500791251047 883576 CC1=C(C=CC=C1Cl)NC(=O)CCN2CCC(CC2)C(=O)N 1 1.829 3 2 0 -1.97851146458062 883572 COC1=CC=CC=C1CC(=O)NC2=C(C=C(C=C2)O)C(=O)O 1 2.02 1 5 -9.84531369704198 883571 CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F 1 4.505 2 2 -11.4917501489729 883567 C1OC2=C(O1)C=C(C=C2)NC(=O)CN3N=C(N=N3)C4=CC=CC=C4 1 1.909 5 3 0 -5.07741776030271 883556 COC1=C(C=C(C=C1)C2=NN(C=C2CO)C3=CC=CC=C3)OC 1 3.366 2 3 10.6538417007687 883553 CC1=C(C=CC=C1Cl)NC(=O)CCN2CCN(CC2)C 1 2.312 3 1 -0.174238230692821 883542 C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)O 1 2.079 1 4 -6.46734371549798 883533 C1CCC(CC1)(C2=CC=CC=C2)C(=O)N3CCOCC3 1 2.842 1 2 -8.10788770224976 883532 C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)NC3=O)N 1 1.47 2 3 0 1.0031391246742 883521 C1=CC(=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)Cl)O 1 2.744 1 4 -4.48869088653781 883518 C1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)F)C(F)(F)F 1 5.243 2 0 -2.10906549158516 883515 CCC(=O)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC=N3)Cl 1 2.777 3 2 2.83308907551118 883514 CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2 1 4.098 2 2 -10.6096837512801 883506 C1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)N)O 1 1.53 3 3 0 -13.052754375654 883504 COC1=CC=C(C=C1)C2=CC(=O)NC(=S)N2 1 1.814 2 2 0 -5.84168547912783 883503 C1=CC2=C(C=C1F)C(=O)C(=CO2)/C=C/C(=O)O 1 1.651 0 4 0 2.46892393214536 883500 COC1=C(C=C(C=C1)[N+](=O)[O-])N2C=CC=C2 1 2.584 2 3 -3.28752289365874 883478 COC1=CC=CC(=C1)C2=NNC(=S)N2CC=C 1 2.702 3 1 -5.55642414184841 883472 CC1=CC=CC=C1C(=O)ON=C(C)CN2C3=CC=CC=C3N=N2 1 3.263 4 2 -8.17226065398708 883464 CC1=CC(=CC=C1)NC(=S)NCCN2CCOCC2 1 2.824 3 1 -8.5485212700168 883462 CCN(CC)C(=O)OC1=CC=C(C2=CC=CC=C21)Br 1 4.153 1 2 -3.25420718718177 883460 CN(C1=CC=CC=C1)C2=CC=C(C=C2)/C=C/[N+](=O)[O-] 1 3.566 2 2 8.72128097542361 883452 CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCOCC3)C4=CC=CC=C4 1 3.591 3 2 2.78120220602584 883450 C1CCC(CC1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3 1 4.592 3 0 -6.97774583131593 883449 CN(C)C(=O)NC1=CC(=CC=C1)OC(=O)N(C)C 1 1.121 3 3 0 -6.25367870514508 883448 C1=CC=C(C(=C1)NC(=S)NCC2=CC=C(C=C2)Cl)F 1 4.965 2 0 -5.33639405757005 883436 CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C 1 4.584 2 2 -9.03159487145393 883433 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)N 1 1.855 4 1 0 4.25350992156828 883430 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2 1 3.744 3 1 -9.04113160538555 883416 C1COCCN1C(=S)NC2=CC=CC=C2Cl 1 3.4 2 1 -10.6268632015274 883412 C1=CC(=CC=C1C(=O)NN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)O 1 1.083 2 6 0 -8.90179617208781 883409 C1COCCN1CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] 1 1.164 4 4 0 -6.94586957809329 883395 CC1=CC(=CC=C1)NC(=S)NCCC2=CNC3=CC=CC=C32 1 5.196 3 0 -9.1144590482322 883394 CN(C)C(=O)OC1=CC=C(C2=CC=CC=C21)Br 1 3.456 1 2 -1.38519254346272 883393 C1CCC(C1)NC(=S)NC2=CC=CC=C2F 1 4.119 2 0 -7.31626543618687 883383 CC(C)CNC(=S)NC1=CC=CC=C1F 1 3.909 2 0 -8.17061452050311 883381 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)[N+](=O)[O-])C=O 1 3.566 2 3 -2.91874606379999 883378 CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC(C)(C)C 1 3.086 2 3 -14.4371757109223 883359 C1=CC=NC(=C1)CNC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 4.102 3 0 -4.84431667096012 883356 COC1=C(C=C(C=C1)CCC(=O)N)OC 1 1.29 1 3 0 -7.05758986433633 883348 C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)[N+](=O)[O-])C=O 1 3.566 2 3 -4.32884866523404 883342 C1=CC(=CN=C1)C2=CSC(=N2)NCC3=CC=CO3 1 1.725 3 1 0 2.82661549843326 883336 CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2=CC=C(C=C2)C(=O)C 1 3.85 2 2 -8.52719451137118 883333 CC1=CC=C(N1CC2=CC=C(C=C2)OC)C 1 2.987 1 1 -4.48534223554112 883313 COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O 1 3.746 1 4 -4.84438474357905 883310 CC1=C(C=CC(=C1)OC)CCCC2=NNC(=S)O2 1 3.96 2 2 -3.40722283226778 883304 C1=CC=C(C(=C1)C(=O)NC(=O)/C=C/C2=CC=C(C=C2)Br)O 1 3.46 1 3 0.11312794133944 883292 C1=CC=C(C(=C1)NC(=S)NCC2=CC=C(C=C2)Cl)Cl 1 5.424 2 0 -4.89700764064871 883289 CC/C(=C\1/C(=O)N=C(S1)N2CCOCC2)/C 1 1.966 2 2 0 -8.14709725366649 883266 CCOC(=O)C1=CC=C(C=C1)CNC(=O)CCC(=O)O 1 1.006 1 5 0 -18.9287620517015 883252 C1COCCN1CCNC(=S)NC2=CC=CC=C2Cl 1 3.003 3 1 -9.43106271245067 883247 C1=CC=C(C(=C1)NC(=S)NCC2=CC=C(C=C2)F)Cl 1 4.965 2 0 -5.1910003042518 883243 CC1=CC2=C(C(=O)N=C2C=C1)NN3C(=O)C4=CC=CC=C4C3=O 1 1.386 3 3 0 -5.01681802265473 883239 C1=CN(C(=C1)C=NN2C=NN=C2)C3=CC=C(C=C3)Br 1 2.961 5 0 3.34121281990958 883228 C1CCN(C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 3.857 1 1 -0.833784197547144 883217 CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=N2)[N+](=O)[O-] 1 3.381 4 4 0 -11.7110940006886 883191 CCCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)C(=O)OCC)F 1 3.755 2 3 -6.08856825311668 883190 COC(=O)COC1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=CC=C2 1 2.077 2 5 0 -8.55058456824356 883188 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C 1 2.616 1 2 -10.0609158540192 883169 C1=CC=C2C(=C1)C(=CN2CC(=O)NC3=CC=C(C=C3)F)C=O 1 2.93 2 2 -5.34140554210702 883168 C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O 1 5.111 1 2 3.00782363879565 883157 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)Cl)OC 1 2.292 1 3 -6.80059031362651 883155 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2CC2 1 0.351 2 3 0 -11.9542915235265 883146 CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)C)C)Br 1 3.365 1 2 -5.79060159015556 883142 CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CN=CC=C2)[N+](=O)[O-] 1 2.842 4 4 0 -13.4844805051304 883133 CCC1=C(C(=C(C(=N1)N)C#N)C2=CC=CC3=CC=CC=C32)C 1 4.213 3 0 -0.782595415025544 883121 C1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=CC=C2Cl)F 1 3.256 2 2 -3.38298458732409 883079 CCOC(=O)N1CCN(CC1)C(=O)CCSC2=CC=CC=C2 1 2.094 2 3 -7.88683442623555 883059 CC1=CC=C(C=C1)CSCC(=O)NC2=CC=CC=C2F 1 3.706 1 1 -10.1549435050716 883051 CC1=CC=CC=C1CSCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.759 2 1 -8.38686990672488 883045 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3 1 4.007 2 4 -7.15791158963842 883032 CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)C 1 1.487 3 3 0 -10.1597124159391 883022 C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3 1 4.742 1 1 -6.46342736498126 883013 C1=CC(=CN=C1)NC(=O)CCSC2=CC=C(C=C2)Cl 1 2.77 2 1 -3.28361843343259 882992 CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=O 1 2.611 1 3 -6.85370085268144 882991 CC1=C(C=C(O1)C=NNS(=O)(=O)C2=CC=CC=C2)Br 1 2.675 2 3 0.442476190034722 882990 CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C 1 1.973 3 3 0 -8.24842818546007 882981 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)Br)OC 1 2.376 1 3 -7.91510806038547 882976 CC1=CC=CC=C1CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.705 2 4 -9.68096923315229 882975 CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)C=O 1 5.161 0 3 -7.94284350093004 882968 CC(C)C(C(C)C)NC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-] 1 3.812 2 3 -9.19187338478811 882964 CC1=CC(=C(C=C1)NC(=O)/C(=C/C2=CC=CO2)/C3=CC=CC=C3)C 1 4.928 1 2 -7.17049694305553 882953 C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CN=CC=C4 1 3.195 3 1 -7.59087250829205 882943 CC1=CC=CC=C1CSCC(=O)NC2=CC=CC=C2F 1 3.706 1 1 -12.0440687673733 882911 COC1=CC=C(C=C1)C2=NN(C=C2CO)C3=CC=CC=C3 1 3.382 2 2 14.2817794244167 882910 CC1=C(C=CC=C1Cl)NC(=O)CCN2CCOCC2 1 2.043 2 2 -4.56721953196973 882896 C1COCCN1C(=S)NC(=O)C2=CC=CC=C2Cl 1 2.799 2 2 -13.4793533274702 882882 COC1=CC=CC=C1CC(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 1.714 2 4 0 -8.8800270534848 882881 C1=COC(=C1)/C=C/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)F 1 2.32 2 3 3.78957298807309 882871 C1CCC2=C(CC1)SC3=NC4=C(CCCC4)C(=C23)N 1 4.353 2 0 -5.27130157464029 882863 CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(F)(F)F 1 5.194 2 1 -8.07232373666694 882851 COC1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2Cl 1 4.743 2 1 -6.31584353886119 882840 CC1=CC(=CC=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3 1 4.35 2 2 -6.85542772872993 882838 CC1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)OC 1 4.565 2 1 -5.43330209642732 882835 CCOC1=CC2=C(C(=O)N=C2C=C1)NN3C(=O)C4=CC=CC=C4C3=O 1 0.976 3 4 0 -4.59429435880657 882828 CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CCCC2 1 4.118 2 2 -12.3614998624682 882825 CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)C3=CC=CC=N3 1 3.974 2 2 -5.10777452965856 882820 CC1=CC(=CC=C1)NC(=S)NCCC2=CC=C(C=C2)OC 1 4.886 2 1 -5.96944166410871 882779 CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC 1 3.657 1 3 3.14871304530889 882769 CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC=CC=C2 1 1.413 3 3 0 -5.61955273782807 882763 CC1=CC=C(O1)CCC(=O)NC2=C(C=CC(=C2)Cl)Cl 1 3.553 1 2 -5.00347424495998 882758 COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N)C3=CC=CC=C3)OC 1 2.972 3 3 3.55962701605823 882743 CC1=C(C(=CC=C1)C)NC(=O)CN2C(=NN=N2)N 1 0.544 6 1 0 -16.1059301865953 882738 C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4 1 4.54 3 1 5.06137568126669 882736 CC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=C1)C(F)(F)F 1 3.812 3 0 1.39449488705679 882731 CCNC(=O)C1=C(C=CC(=C1)Cl)OC 1 2.034 1 2 -6.1937346638787 882720 CC1=CC(=CC=C1)NC(=S)NC2CCCC2 1 4.4 2 0 -5.17820857531317 882719 CC1=CC=C(O1)C(=O)CCNC2=CC(=C(C=C2)F)Cl 1 3.553 1 2 1.35681471125209 882708 C1=CC=C(C(=C1)NC(=S)NCC2=CC=C(C=C2)F)F 1 4.506 2 0 -6.9699937790796 882705 CC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C 1 3.452 1 4 -8.79374784341877 882703 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CN=CC=C3 1 1.529 4 1 0 -4.90711019915574 882702 CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CS2 1 3.506 3 2 -11.8645088103672 882670 C1CCC(C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] 1 2.2 3 4 0 -13.9708461146544 882668 C1CCN(CC1)C(=S)NC2=C(C=C(C=C2)Cl)Cl 1 5.294 2 0 -7.22671146273488 882659 CC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=CS3 1 2.861 1 4 -9.7839828827868 882657 CCC(=O)NC1=CC=CC=C1C(=O)N2CCOCC2 1 0.718 2 3 0 -12.7358185440446 882648 CC(=NN=CC1=CC=C(C=C1)N(C)C)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.532 4 2 -3.98791298219542 882642 CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2[N+](=O)[O-] 1 0.494 3 5 0 -23.8565290310474 882634 CC1=CC=C(C=C1)NC(=S)N2CCOCC2 1 3.222 2 1 -12.1880330247125 882632 COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2O 1 2.191 1 4 -1.78879237505222 882627 C1=CC(=CC=C1N)OC2=CC3=C(C=C2)C(=O)NC3=O 1 1.47 2 3 0 1.34755215700807 882619 CC1=CC=C(O1)C2=NN(C=C2CO)C3=CC=CC=C3 1 2.939 2 2 14.550278963335 882595 CC(C)N1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-] 1 2.481 3 2 -2.11515592240035 882594 C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=NC=CS3)C4=CC=CC=C4 1 3.785 4 1 3.03640679682559 882562 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC#N 1 2.215 2 3 -2.80436888049371 882560 CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.666 2 3 -10.9460243235334 882553 C1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2C(=O)O 1 2.638 1 3 -9.31153949728091 882543 CC1=CC=CC=C1NC(=O)/C(=C/C2=CC=CO2)/C3=CC=CC=C3 1 4.442 1 2 -7.14126161908115 882528 CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC(=CC=C2)NC(=O)C 1 1.487 3 3 0 -9.241832051221 882527 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=CC=C2Cl)F 1 3.742 2 2 -2.38958072156315 882525 CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 2.869 2 2 -7.88205917106675 882513 CC1=C(C=C(C=C1)C(=O)OC)N2C(=CC(=C2C)C=O)C 1 3.098 1 3 -6.72792213273995 882512 CC1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Cl 1 3.477 1 1 -11.3735298910181 882506 CN(C1=CC=C(C=C1)C(=O)NC2CC2)S(=O)(=O)C3=CC=CC=C3 1 2.221 2 3 -13.7635420824043 882501 COC1=CC=C(C=C1)N2C=CC=C2C=O 1 2.74 1 2 2.55453184561239 882492 C1=CC=C(C=C1)NC2=C(C=C(C=C2)C#N)N 1 2.512 3 0 -0.322829078059987 882485 CCCN(CCC)S(=O)(=O)C1=CC(=C(C=C1)Cl)OC 1 3.34 1 3 -13.316348911006 882476 CN1CN=C(N(C1)CC2=CC=CO2)N[N+](=O)[O-] 1 2.524 5 3 0 -6.15686776788217 882473 COC1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=CC=N2 1 2.137 2 2 -7.9570650760556 882467 CCC1=CC=CC=C1N(CC(=O)N2CCCCCC2)S(=O)(=O)C 1 2.528 2 3 -15.8731165471264 882445 CC(C)OC1=C(C2=CC=CC=C2C=C1)C=O 1 3.207 0 2 1.77551638854874 882431 CC1=CC(=C(C=C1)OC)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C 1 2.053 2 4 -15.1026065690442 882428 C1CC1NC(=O)CSCC2=CC=CC=C2Br 1 2.676 1 1 -11.4131296682552 882422 C1=CC=C(C(=C1)C(=O)NC(=S)NCC2=CN=CC=C2)[N+](=O)[O-] 1 2.239 4 3 0 -15.2393883756425 882421 C1=CC(=CN=C1)CNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 1.833 3 3 0 -9.95663246123023 882404 CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=O)C 1 2.96 1 3 -8.19093099586645 882402 CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C=O 1 3.404 1 2 -1.18804477458383 882395 COC1=CC(=CC=C1)OCCN2C=C(C3=CC=CC=C32)C=O 1 3.704 1 3 -2.63966690077492 882378 CCCC(=O)NC1=CC=CC(=C1)C(=O)NC2=NC=CS2 1 1.855 3 2 0 -14.8916527987006 882374 C1=CC(=CC=C1C(=O)COC(=O)C2=NC=CN=C2)Cl 1 1.733 2 3 0 -10.0787804417021 882373 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(O2)Br)C 1 3.876 0 4 -9.04169578328433 882371 CC(C)C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.517 2 2 2.07286811398804e-002 882363 CC1=CC=C(C=C1)CNC2=CC(=C(C=C2)N3CCOCC3)Cl 1 4.222 2 1 1.14068682376348 882356 CCOC1=CC=C(C=C1)CC(=O)NCCC2=CC=CC=C2 1 3.31 1 2 -10.1575112081221 882352 C1=CC(=CC(=C1)OC2=CC(=C(C=C2)C#N)C#N)C(=O)O 1 2.777 2 3 -3.25362805317336 882351 C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4 1 3.903 2 4 -7.09085802659286 882319 CCCC1=C(N=C(S1)N)C2=CC=C(C=C2)Cl 1 3.96 2 0 10.0542960330756 882316 CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC=C(O2)Br 1 3.876 0 4 -6.67320688633189 882310 CC1=CC=CC(=C1)C(=O)ON=C2CCC3=C2C=CC(=C3)OC 1 3.919 1 3 -0.121464114512835 882309 CC1=CC=C(C=C1)C(=O)COC(=O)C2=NC=CN=C2 1 1.554 2 3 0 -11.9007791322889 882298 C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)/C=C/C3=CC=CC=C3 1 2.429 2 2 -1.19355967033574 882287 COC1=CC=C(C=C1)/C=C\2/C(=NOC2=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.264 2 5 0 -0.346215348060183 882278 CN(C1=CC=CC=C1)C(=O)CCC2=NC3=CC=CC=C3S2 1 3.38 2 1 -4.77282438625134 882273 C1=CC(=CN=C1)OC2=CC(=C(C=C2)C#N)C#N 1 1.997 3 1 0 -2.72107187922439 882270 C1=CC=C(C(=C1)CSC2=NC3=NC=C(C=C3N2)Br)F 1 4.011 3 0 -6.72262444051319 882266 C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)/C=C/C3=CC=CC=C3 1 2.723 2 2 0.248358545421889 882256 C1=CC(=CC(=C1)Br)C(=O)NC2=C(C=C(C=C2)O)C(=O)O 1 2.75 1 4 -6.18787113748625 882255 COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)OC 1 3.052 0 6 -6.74423532039671 882248 COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=NNN=N3 1 0.976 8 2 0 -20.263909512731 882247 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3Cl)C(=O)O 1 4.078 1 3 -11.2822065560481 882245 C1=CC(=CC=C1C(=O)COC(=O)C2=NC=CN=C2)Br 1 1.817 2 3 0 -11.5354401868035 882244 C1=CC=C(C=C1)COC2=CC=CC=C2C=NN3C(=NN=N3)N 1 2.147 6 1 0 -3.74598972990422 882243 C1=CC=C2C(=C1)NC(=N2)CC3=C(C=CC(=C3)O)O 1 2.821 2 2 5.38368758479571 882241 CC1=C(C(=CC=C1)N)C2=C(C=CC=C2N)C 1 2.827 2 0 1.60937776903761e-002 882240 COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)O)C3=CC=CC=C3)OC 1 3.6 2 4 3.52913592769389 882228 CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C)CSC3=CC=CC=C3 1 4.494 1 3 0.352215019643328 882227 CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CO2)C 1 3.308 0 4 -7.76767273610796 882224 CC1=C(C=C(C=C1)C2=C(SC(=N2)N)C3=CC=CC=C3)C 1 4.809 2 0 13.4203906314488 882221 C1CCC(=CC1)CCN2C(=O)/C(=C\C3=CC=CS3)/C(=O)NC2=O 1 3.351 2 3 -7.36136254514615 882212 CCC(CC)C(=O)NC1=CC=C(C=C1)C(=O)OCC 1 3.196 1 3 -10.5834633336167 882211 CN(C)CCNC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] 1 1.106 3 3 0 -8.58107383468072 882179 C1CN(CCC1C(=O)N)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 0.647 3 4 0 -9.77556419412407 882167 CCC(CC)C(=O)NCCC1=CC(=C(C=C1)OC)OC 1 3.287 1 3 -11.9031373708788 882164 CCC(CC)C(=O)NC1=CC=CC(=C1)C(F)(F)F 1 3.934 1 1 -2.01354313864205 882158 CCC(CC)C(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2 1 4.542 2 1 -5.52608157326143 882157 CC(=O)NC1=CC=CC=C1NC(=O)C2=CC=CC3=CC=CC=C32 1 2.643 2 2 -6.44425912731485 882156 CC(=O)NC1=CC=CC(=C1)N2C(=O)CCC2=O 1 0.11 2 3 0 -10.4737649419682 882150 CCC(CC)C(=O)NC1=CC=CC=C1NC(=O)C 1 2.112 2 2 -10.1094461611352 882141 CCC(CC)C(=O)NCC1=CC=C(C=C1)OC 1 2.982 1 2 -7.94682911843065 882138 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C4=NN=CN24 1 3.44 4 0 6.7567251425846 882136 CCOC(=O)CC1=CSC(=N1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.208 3 5 0 -12.4016457646529 882134 C1=CC(=C(C=C1NC(=O)C2=CC=NC=C2)C(F)(F)F)Cl 1 3.07 2 1 -4.97678248067283 882131 C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.318 2 5 0 -12.8262396035487 882129 C1=CC=NC(=C1)CNC(=O)NC2=CC=C(C=C2)F 1 1.799 3 1 0 -5.98592398861956 882126 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 2.82 4 3 0 -4.21474479805847 882119 C1=CC(=CC=C1CNC(=O)C2=CC=NC=C2)F 1 1.676 2 1 0 -7.03313824681434 882117 CCC(CC)C(=O)NCCC1=CC=C(C=C1)OC 1 3.303 1 2 -7.90502264250972 882114 C1=CC=C(C(=C1)CNC(=O)C2=CC=NC=C2)Cl 1 2.135 2 1 -9.10865470276306 882113 CC1=CN(N=C1)C2=NN3C(=NN=C3C4=CC=C(C=C4)Cl)C=C2 1 3.694 6 0 3.26851406661759 882096 C1=CC=C(C(=C1)CNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])Cl 1 3.215 2 3 -12.0779251187002 882091 CCC(CC)C(=O)NCC1=CC=CC=C1Cl 1 3.663 1 1 -8.89750233976999 882086 C1CN(CCN1C=O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 0.311 3 4 0 -9.51574442968393 882084 CCC(CC)C(=O)NCC1=CC=C(C=C1)Cl 1 3.663 1 1 -5.7118642186997 882077 C1C(CS1)OC2=CC=C(C=C2)C=NNS(=O)(=O)C3=CC=CC=C3 1 2.831 2 3 -3.45638961028635 882075 C1CN(CCN1C2=CC=CC=C2)C(=O)CSCC3=CC=CC=C3 1 3.273 2 1 -7.60559101125103 882061 C1CCN(CC1)C(=S)NC2=CC=CC=C2Cl 1 4.629 2 0 -9.05856675175184 882058 C1COCCN1CCNC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 3.28 3 1 -6.0703542337212 882050 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC(=CC=C2)OC 1 2.053 2 4 -9.37197723910872 882019 C1COCCN1C2=CC=C(C=C2)N3C=CC=C3 1 2.556 2 1 0.764022581827099 882017 CCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=C)C 1 4.335 0 3 -5.97685082419465 882011 C1CCC(C1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 4.856 2 0 -2.70004153901757 882007 C1=CN(C(=C1)C=NO)C2=CC=C(C=C2)Br 1 3.572 2 1 5.38329934189406 882001 CN1CCN(CC1)CCC(=O)NC2=CC(=CC(=C2)OC)OC 1 1.129 3 3 0 -4.79213056843254 882000 CN(C)C1=NC(=NC(=N1)NC2=CC=C(C=C2)F)OC3=CC=C(C=C3)F 1 3.935 5 1 -2.40984601254951 881992 COC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)C=O 1 4.812 0 3 -6.43277510944671 881980 CC(C)CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2 1 2.968 2 2 -11.7324488460775 881972 CC1=C(OC=C1)C(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3 1 4.056 1 3 -3.51524788145646 881964 COC1=C(C=CC(=C1)C=NN2C(=NN=N2)N)OCC(=O)N 1 -0.599 7 3 0 -14.0571121777131 881931 CC1=CC=CC(=C1)C(=O)NC(=S)NCC2=CN=CC=C2 1 2.83 3 1 -11.5388091067636 881925 CC(=NN=CC1=CC=C(C=C1)N(C)C)C2=CC=CC=C2 1 3.637 3 0 -1.98456665373532 881919 C1CCCC(=NNS(=O)(=O)C2=CC=CC=C2)CC1 1 2.567 2 2 -6.52339285965791 881906 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSCC2=CC=CC=C2 1 2.893 2 4 -14.2409420606916 881895 COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 2.366 2 3 -8.29502538021089 881885 COC1=C(C=C(C=C1Cl)C(=O)NCC2=CC=CO2)Cl 1 3.115 1 3 -8.76905770731832 881867 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC 1 4.107 2 3 -14.3986529313751 881859 COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)[N+](=O)[O-] 1 2.222 4 4 0 -16.8710031804797 881856 COC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=C(C=C2)Cl 1 3.218 1 3 -4.04218346236543 881855 C1=CC=NC(=C1)CCNC(=S)NC2=CC(=CC=C2)Cl 1 4.072 3 0 -7.27938912518686 881854 CN1CCN(CC1)C(=S)NC2=C(C=C(C=C2)Cl)Cl 1 4.334 3 0 -4.46967508786612 881848 CC(C)C(=O)NC1=CC=C(C=C1)C2=NC3=C(O2)N=CC=C3 1 2.579 3 2 -2.44311261548912 881847 C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)Cl 1 5.253 3 0 -4.13529374458078 881841 CN1CCN(CC1)C(=S)NC2=CC(=CC=C2)Cl 1 3.669 3 0 -5.11383094336271 881815 C1=CC=C(C(=C1)C(=O)O)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.539 2 5 0 -14.505622406132 881773 C1=COC(=C1)CNC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 4.606 2 1 -6.22450871524263 881770 CC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)C 1 5.019 1 3 -11.0247510445935 881746 COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC=C2F 1 3.827 2 3 -14.9095897590037 881743 C1=CC=NC(=C1)CCNC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 4.737 3 0 -8.31077546215411 881740 C1=CC(=CN=C1)CNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.2 3 4 0 -12.9272882206559 881739 COC1=C(C=C(C=C1)Br)C(=O)O 1 2.191 0 3 -1.86627369641612 881737 C1=CC(=CC=C1NC(=S)NCC2=CC=NC=C2)Cl 1 3.609 3 0 -5.60998720080152 881735 C1CC1NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-] 1 1.822 2 3 0 -14.6621568808846 881726 COC1=CC=C(C=C1)CNC(=O)CSCC2=CC(=CC=C2)Cl 1 3.669 1 2 -11.5640731281745 881723 COC1=C(C=CC(=C1)C=NN2C=NN=C2)OC(=O)C3=CC=NC=C3 1 1.31 5 3 0 -8.75543412416596 881720 CCC1=CC=CC=C1NC(=O)/C(=C/C2=CC=CO2)/C3=CC=CC=C3 1 4.898 1 2 -6.69687051661272 881717 C1=CC=NC(=C1)CNC(=S)NC2=CC(=CC=C2)Cl 1 3.824 3 0 -6.46126000387941 881714 CC1=CC(=NN1S(=O)(=O)C2=C(C(=C(C=C2)Cl)Cl)Cl)C 1 4.052 2 2 -6.99060059505007 881708 C1=CN(C(=C1)C=NN2C=NN=C2)C3=CC=C(C=C3)Cl 1 2.877 5 0 4.79787256501102 881707 CC(C)CC1=NC2=CC=CC=C2N1CC(=C)Br 1 4.256 2 0 -1.25947960111477 881682 C1OC2=C(O1)C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3 1 3.534 2 3 -12.0479516900758 881665 CCOC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 1.688 2 5 0 -6.73954796304369 881662 C1=CC=NC(=C1)CNC(=S)NC2=CC=C(C=C2)F 1 3.365 3 0 -8.40085800859482 881645 C1=CC=NC(=C1)CNC(=S)NC2=CC=C(C=C2)Cl 1 3.824 3 0 -7.29073634347326 881644 CC(=C)CN1C2=CC=CC=C2N=C1C3=CC=CC=C3 1 4.539 2 0 -1.39666445443948 881641 CC1=C(C(=CC=C1)C)NC(=S)NC(=O)C2=CC=CC=C2F 1 4.944 2 1 -10.1534080597701 881639 C1=CC=NC(=C1)CNC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 4.489 3 0 -6.27577563414786 881638 COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2F 1 3.955 2 2 -8.95911207399324 881621 C1=CC(=CC(=C1)Cl)NC(=S)NCC2=CN=CC=C2 1 3.609 3 0 -6.77939581084095 881610 CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=CC=C(C=C2)Cl 1 2.25 2 3 -11.2352877174332 881600 C1=CC(=CC(=C1)Cl)NC(=S)NCC2=CC=C(C=C2)F 1 4.965 2 0 -3.44723515844161 881586 CC1=C(C2=CC=CC=C2N1C)C=NN3C=NN=C3 1 1.689 5 0 0 0.600759895247091 881569 CC1=C(C=CC2=C1OC(=O)C=C2C(F)(F)F)OC 1 3.272 0 3 1.83442379699397 881556 CCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)Cl 1 2.8 1 3 -10.7678829158657 881555 CCOC(=O)N1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)C 1 2.339 2 3 -10.7873484063491 881554 CCOC1=CC(=CC(=C1O)CC=C)/C=C/2\C(=O)NC(=O)N2 1 1.835 2 4 0 -12.9934147063995 881552 CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2 1 3.553 3 2 -12.1397200067296 881547 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(C(C)C)C(C)C 1 3.831 2 3 -9.18115226175849 881519 CC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.998 1 2 -1.08540335418338 881515 CC1=CC(=CC=C1)N(CC(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C 1 2.275 2 3 -11.2829175679217 881514 C1COCCN1CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4 1 2.144 2 4 -7.53627071300104 881509 CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl 1 4.17 2 2 -8.2458179893436 881507 CC1=CC=C(C=C1)SCC(=O)NCC2=CC=CC=C2C 1 3.987 1 1 -9.92396596450776 881501 CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2Cl 1 4.17 2 2 -10.8761961802138 881482 C1=CC=C2C(=C1)C(=CC=C2Cl)S(=O)(=O)NC3=CC=CC=N3 1 3.278 2 2 -3.23568365062526 881472 COC1=C(C=CC(=C1)/C=C/[N+](=O)[O-])OCC2=CC=CC(=C2)C(=O)O 1 2.99 1 6 0 0.456147616337763 881467 C1=COC(=C1)/C=C/C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl 1 4.702 1 3 -0.389253062673309 881463 CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=C(C=C2)NC(=O)C 1 1.973 3 3 0 -9.26370277670295 881461 CC(C)(C)NC(=S)NC(=O)C1=CC(=C(C=C1)OC)Br 1 3.574 2 2 -13.245826929787 881454 CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CC=CO2)/C3=CC=CC=C3 1 4.928 1 2 -6.19621089756862 881449 C1=CC(=CC=C1CNC(=S)NC2=CC=C(C=C2)Cl)F 1 4.965 2 0 -4.37410572456024 881447 CN1CCN(CC1)NC(=S)NC2=CC=C(C=C2)OC 1 2.095 4 1 -3.18452261523311 881444 C1CCCN(CC1)C(=O)CCSC2=CC=C(C=C2)Cl 1 3.923 1 1 -4.86074108168405 881442 CCN(CC)C1=CC=C(C=C1)CNC23CN4CN(C2)CN(C3)C4 1 1.931 5 0 0 -4.92498950114617 881441 COC1=C(C=CC(=C1)C=NN2C=NN=C2)OC(=O)C3=CN=CC=C3 1 1.31 5 3 0 -10.3845229321457 881438 CC1=C(C=CC(=C1)OC(=O)C2=CC=CS2)C(C)C 1 4.895 0 2 -7.26745314772848 881434 CC(C)(C)NC(=O)/C(=C/C1=CC=CO1)/C2=CC=CC=C2 1 3.31 1 2 -10.3969256354679 881429 CCOC1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2 1 4.133 2 2 -9.01312083199295 881412 CCOC1=CC=C(C=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2Cl 1 3.413 1 4 -12.8499015650147 881411 C1=CC=NC(=C1)CCNC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 4.737 3 0 -7.09390475545531 881407 CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)F)Cl 1 3.926 1 2 -4.30748306443414 881394 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(F)(F)F)F 1 4.914 2 1 -9.70484182306423 881386 COC1=CC=CC=C1CNC(=O)CSC2=CC=CC=C2 1 2.998 1 2 -12.2026949021236 881366 CC1=CC=CC=C1CNC(=O)C2=CC=CC=C2C 1 3.594 1 1 -11.8068769534497 881364 CCC1=C(OC2=C1C3=C(C=C2)C(=CC(=O)O3)C)C(=O)C 1 3.623 0 4 -1.97931806269394 881352 CSC1=CC=CC=C1NC(=O)CC2=CC=CC=C2 1 3.191 1 1 -11.2168023315926 881348 CCOC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)[N+](=O)[O-] 1 1.697 3 4 0 -14.0451886427192 881345 CCOC1=CC(=CC(=C1)C(=O)NCC2=CC=CO2)OCC 1 2.468 1 4 -11.5070685712766 881329 CCOC1=CC(=CC(=C1O)CC=C)C=O 1 2.687 0 3 -5.87571225513401 881322 CC(C)C(C(C)C)NC(=O)/C=C/C1=CC=C(C=C1)F 1 4.123 1 1 -6.15039645724505 881297 CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)N 1 2.917 4 1 -4.63873459637176 881269 COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC=C2 1 3.621 2 3 -15.3627134958968 881253 C1CCC(CC1)NC(=S)NCC2=CC=C(C=C2)F 1 4.305 2 0 -8.11586453670459 881236 C1=CC=C(C(=C1)NC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)F)F 1 3.367 4 1 -11.2523017100728 881215 C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)NC3=CC=CC=C3F 1 3.162 4 1 -12.4239285809421 881214 COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC=CS3 1 2.858 4 2 -9.81413521470355 881181 CC(=O)CCC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 1 2.332 1 3 -11.7715835325278 881180 CCC1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)OCC 1 2.256 4 2 -11.4343211408231 881165 COC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)OC 1 4.131 2 3 -5.97432568851929 881163 C1=CC(=CC=C1CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)Cl 1 3.844 2 3 -7.50724030227069 881161 CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)C=NN4C=NN=C4 1 3.614 5 0 0.978545203691157 881135 C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)N3C(=O)C=CC3=O 1 2.126 2 3 -3.03954676753707 881134 CC1=C(C2=CC=CC=C2N1CCOC3=CC=CC=C3)C=NN4C=NN=C4 1 3.322 5 1 -1.90299829815454 881129 C1=CC=C(C(=C1)NC(=O)NC2=NN=C(S2)C3=CC=NC=C3)F 1 1.976 5 1 0 -7.92684300008142 881115 CN(C)C1=CC=C(C2=CC=CC=C21)NC(=O)CC3=CC=C(C=C3)OC 1 3.703 2 2 -10.6088003105126 881112 COC1=CC(=CC(=C1)NC(=O)CC2=CC=CC=C2)OC 1 2.616 1 3 -8.70212185857751 881100 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 2.82 4 3 0 -4.04726458507401 881088 C1CCCC(CCC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 4.367 2 3 -7.59839334597269 881082 C1=CC=C(C(=C1)NC(=O)NC2=NN=C(S2)C3=CC(=CC=C3)F)F 1 3.332 4 1 -5.81775445223573 881081 CC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 1 2.693 1 4 -12.7792359869571 881070 C1=CC=C(C=C1)CC(=O)NCC2=CC=C(C=C2)F 1 2.861 1 1 -8.85799833367043 881067 CC(=O)NC1=C(C=CC(=C1)NC(=O)CCCC(=O)O)Cl 1 1.036 2 4 0 -15.6852575350438 881060 C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F 1 3.162 4 1 -9.16154858652171 881056 C1CCC2=C(C1)C=CC=C2NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl 1 4.686 2 3 -7.09236360149156 881048 C1=CC=C(C(=C1)NC(=O)NC2=NN=C(S2)C3=CC=C(C=C3)F)F 1 3.332 4 1 -7.0812506055618 881046 CC(=O)NC1=C(C=CC(=C1)N2C(=O)CCC2=O)Cl 1 0.775 2 3 0 -11.0759496820038 881043 CCC1=NN=C(S1)NC(=O)NC2=CC=CC=C2OC 1 1.908 4 2 0 -15.1323846556625 881040 COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC=CC=C3F 1 3.111 4 2 -6.38663594647954 881025 CC1=CC(=CC(=C1)OC(=O)C2=CN=CC=C2)C 1 3.083 1 2 -7.18044256088961 881009 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)Cl)Cl 1 3.59 3 1 -7.55302321489919e-002 881008 C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2CO 1 2.044 1 2 -7.12130221268393 881003 CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC=NC=C3 1 2.257 5 1 -5.5447530281387 881002 C1=CC=C(C(=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)Cl 1 3.844 2 3 -10.8398064210261 880975 CC1(CC(=CC(=O)C1)NC2=NNC(=C2)C3=CC=CC=C3)C 1 3.024 3 1 -8.42233650403633 880974 COC1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)N(C2=O)CC3=CC=CO3 1 1.819 2 5 0 -6.3808057545558 880972 COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=NOC2=O)C3=CC=CC=C3 1 3.337 1 5 -2.03210358672755 880961 COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NO 1 3.072 1 4 -4.06338665976538 880956 C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NO 1 3.088 1 3 -4.30079144693102 880938 C1CCC2=C(CC1)SC(=C2C(=O)O)NC(=O)C3=CN=CC=C3 1 2.719 2 3 -13.3747617907403 880868 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)C#N)C=O 1 3.551 2 1 -3.45008742611344 880873 COC1=CC=C(C=C1)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 3.122 0 5 -8.10164789280273 880882 COC1=CC2=C(C=C1)C(=NOC(=O)C3=CC=CC=C3OC)CC2 1 3.417 1 4 0.218776966983553 880886 COC1=C(C=CC(=C1)C=NO)OCC2=CC=CC=C2Cl 1 3.871 1 3 -1.04748766470778 880904 C1CCC(CC1)CC(=O)NCC2=CC=CC=C2 1 3.329 1 1 -13.8068071597616 880894 CCN(C1=CC=CC2=CC=CC=C21)C(=O)C 1 2.413 1 1 -4.85342065340723 880858 C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=NO)Cl 1 3.753 1 3 -1.76376100897562 880838 COC1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)F 1 2.759 1 3 -5.152305127487 880833 CC1=CC=C(C=C1)NC(=O)/C=C/C2=C(C=CC(=C2)Br)OC 1 4.3 1 2 -1.64985612766387 880829 CC1=C(C(=NC(=S)N1CC2=CC=CC=C2)N3CCCCC3)C(=O)C 1 3.789 3 1 -5.52175302628883 880827 CC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2 1 2.83 3 1 -11.6192657544969 880814 C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2C4=CSC=N4)C#N 1 3.822 4 0 -3.23359209302386 880809 CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CS2 1 3.963 3 2 -17.2868029450148 880797 C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F 1 3.622 2 3 -3.1505226862801 880764 CC1=CC(=CC(=C1NC(=O)C2=CC=CC=C2[N+](=O)[O-])C)Br 1 4.229 2 3 -6.8242486452568 880716 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.294 2 5 0 -9.98303684120918 880715 CC1=C(SC(=S)N1C)C(=O)NN=CC2=CC=CC=C2 1 3.022 3 1 -7.18275965031337 880714 COC1=CC=CC=C1NC(=S)NC(=O)CC2=CC=C(C=C2)Cl 1 4.449 2 2 -7.72439278386054 880702 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=C(C=C(C=C3)Cl)Cl 1 3.729 1 3 -6.00418775154354 880692 CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)OCCO3 1 2.886 1 3 -6.03937155343495 880682 CC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=CC=C2F 1 3.261 1 2 -6.70606709082179 880674 COC1=CC=CC(=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl 1 4.449 2 2 -5.25337869023084 880664 CC(=O)NC1=NC(=C(S1)C2=CC=C(C=C2)OC)C3=CC=CC=C3 1 3.687 2 2 2.37244334259517 880639 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(F)(F)F 1 5.194 2 1 -8.15278038440015 880624 C1=CC(=CC=C1C(=O)CCC(=O)NC2=CC(=CC(=C2)Cl)Cl)F 1 4.104 1 2 -3.73651980026153 880605 CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=CC=C2C 1 3.388 1 3 -9.19509808065256 880591 CCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)Br 1 3.702 1 2 -9.33296046242944 880579 COC(=O)/C=C\1/C(=O)N=C(S1)NC2=CC=CC=C2 1 2.116 2 3 -6.2271934760929 880574 CC1=CC(=C(C=C1C)O)NC(=O)C2=CC=CO2 1 2.74 1 3 -1.44016415537719 880567 C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)C(=O)O 1 2.719 2 4 -4.92820775570191 880543 CN1C(=O)C(=CC2=CC=C(O2)N3CCCCCC3)C(=O)N(C1=S)C 1 3.23 3 3 1.72216830355303 880540 CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NC2=CC=C(C=C2)F 1 3.747 1 2 -5.75981586400553 880537 CCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C 1 2.173 2 3 -14.4335701622302 880528 CC(=O)C1=C(NC(=C1)C2=CC=CC=C2)N3CCCC3 1 3.221 2 1 2.25283838764105e-002 880502 CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)Br)OC 1 3.832 1 2 -1.80523831135032 880491 CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3 1 2.886 1 3 -7.78717920254244 880488 CC1=CC(=C(C=C1)C(=O)CCC(=O)NC2=CC=CC=C2C)C 1 4.028 1 2 -7.24767199706608 880478 CC(C)C1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=C(C=C2)OC 1 3.747 1 3 -5.58072245630062 880469 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)N3CCCCC3 1 3.677 2 2 -5.31023677555511 880452 CC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C 1 4.484 1 2 -1.16412434166144 880443 CN1C(=O)C(=CC2=CC=C(O2)N3CCCCC3)C(=O)N(C1=S)C 1 2.774 3 3 1.72216830355303 880441 COC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)Br 1 1.962 1 3 0 -7.63532737157419 880428 COC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)F 1 2.63 1 4 -7.37530368571652 880426 CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=NSN=C32 1 4.38 4 1 -7.90045528552516 880417 CCOC1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)OC 1 2.886 1 4 -7.18864808500398 880406 CNC(=S)NN=CC1=CC(=CC=C1)OCC2=CC=CC=C2F 1 4.004 3 1 -7.40955148190308 880398 COC1=C(C=C(C=C1)C=NNC(=S)NCC2=CC=CC=C2)OC 1 3.782 3 2 -11.5076909591246 880397 CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=C(C=C(C=C3)F)Cl 1 2.353 4 2 -6.02574354784835 880390 CC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)OC 1 2.805 1 3 -6.63139991813137 880381 C1COCCN1CCNC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 3.667 3 1 -7.59920742343371 880375 C1=CC=C(C(=C1)COC2=CC=C(C=C2)C=NN3C=NN=C3)Cl 1 3.276 4 1 0.777250009283846 880362 C1=CC(=CC=C1COC2=CC=C(C=C2)C=NN3C=NN=C3)F 1 2.817 4 1 1.47841401892505 880361 CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)C 1 2.686 1 3 -8.52753709567033 880339 C1CC1NC(=O)CSCC(=O)NC2=CC=CC=C2 1 0.981 2 2 0 -12.4494474610748 880338 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)O 1 3.11 2 3 -4.99867348769314 880334 CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)N2CCOCC2 1 2.845 2 3 -15.1814081433496 880333 C1CCC(CC1)NC(=S)NC(=O)C2=CC=C(C=C2)F 1 3.975 2 1 -9.2109490579331 880314 COC1=CC2=C(C(=O)N=C2C=C1)NN3C(=O)C4=CC=CC=C4C3=O 1 0.627 3 4 0 -3.97768225573761 880303 CN(C)C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)OC 1 1.953 3 3 0 -8.22748103382391 880302 C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=CC=C3F 1 4.069 2 2 -8.85364668538199 880293 CCCC1=NC(=NN1)SCC2=CC=C(C=C2)OCC 1 3.952 3 1 -5.44251516379416 880268 CCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2 1 2.676 3 2 -12.798455115349 880264 CC(C)CC(=O)NC1=CC=C(C=C1)OCC(=O)O 1 1.79 1 4 0 -13.0334555996092 880240 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=NC=C3 1 1.529 4 1 0 -5.01038257283078 880238 C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)O 1 2.552 2 4 -3.46487146516125 880223 COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCOCC2)[N+](=O)[O-] 1 2.013 3 5 0 -18.8189872801897 880219 C1CCN(CC1)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 1 3.184 4 1 1.00247762851934 880215 C1=CC(=CC(=C1)NC(=O)CSCC2=CC=C(C=C2)Cl)C(=O)O 1 3.309 1 3 -8.98381608887258 880209 COC1=CC=C(C=C1)C2=NN(C=C2C#N)C3=CC=CC=C3 1 3.865 3 1 9.21665716515941 880171 CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2 1 3.538 3 1 -11.3358060578452 880165 CC(C)C(=O)NC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3 1 3.303 3 2 -6.26180414014181 880161 CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)OC 1 3.75 1 2 13.7736897273315 880149 CCC(=O)NC1=CC=CC(=C1)C(=O)NC2=NC=CS2 1 1.399 3 2 0 -9.46935866405301 880147 CC1=CN=C(C=C1)NC(=O)C2(CCCC2)C3=CC=CC=C3 1 3.944 2 1 -8.83714034496437 880049 CN1C=CC=C1/C=C\2/C(=O)NC(=O)N(C2=O)CC=C 1 1.278 3 3 0 -10.5915557451847 880099 CCOC(=O)N1CCN(CC1)C(=O)CSCC2=CC=CC=C2C 1 2.339 2 3 -12.5080606716384 880093 CC1=C(C(=O)N2C=C(C=CC2=N1)Br)Cl 1 1.096 2 1 0 -6.97916155913951 880090 COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)F 1 4.629 1 2 3.87707063161906 880073 CC1=CC(=C(C=C1)OC)NC(=O)CSCC2=CC=CC=C2C 1 3.971 1 2 -13.205337897868 880072 CC1=CC(=C(N1C2CCCCC2)C)C=O 1 3.038 1 1 -5.28723529259989 880012 C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC2=NC=C(C=C2)Cl 1 3.029 3 3 -4.09059650622806 880010 CC(C)C1=CC=C(C=C1)N(CC(=O)NC)S(=O)(=O)C 1 1.201 2 3 0 -12.8310618517818 879979 C1CC2=CC3=C(C4=C2N(C1)CCC4)OC(=O)S3 1 3.769 1 2 -2.75236267233417 879968 CCOC1=CC=CC=C1NC(=O)CSC2=CC=CC=C2 1 3.34 1 2 -10.1253727329993 879962 CCC1=NN=C(S1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl 1 3.885 3 2 -4.78586435231912 879947 CC1=CC(=C(N1C2=CC=CC=C2)C)C=NN3C=NN=C3 1 2.212 5 0 0.457405523829716 879923 COC1=CC=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C 1 -0.116 2 5 0 -15.0385490669398 879920 C1COCCN1C(=O)CSC2=CC=C(C=C2)Cl 1 1.989 1 2 0 -5.79565149146259 879917 CC1=NC2=C(C(=C1)C3=CC=CC=C3)C(=O)N(N2)C4=CC=CC=C4 1 3.779 3 1 0.274987218251612 879914 CCC1=CC=CC=C1N(CC(=O)OC)S(=O)(=O)C 1 1.596 1 4 0 -14.5015070461197 879905 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C/3\C(=O)NC(=S)N3 1 1.847 4 1 0 -10.6408167287147 879872 C1=CC=C(C=C1)C2=C(NC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4 1 5.246 3 2 0.895170080781805 879869 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=NN3C=NN=C3 1 2.876 5 0 2.94589672500417 879864 C1COCCN1CCNC(=O)/C=C/C2=CC=CC=C2 1 1.332 2 2 0 -8.97140752108886 879862 C1CCC(C1)NC(=O)CSC2=CC=C(C=C2)Cl 1 3.498 1 1 -6.04089087895101 879856 CC1=CC=C(C=C1)SCC(=O)NN=CC2=CC=CO2 1 2.958 2 2 -5.64307151804764 879823 COC(=O)CN1C=C(C2=CC=CC=C21)/C=C/[N+](=O)[O-] 1 2.016 2 4 3.0149016612391 879820 CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C=N3)C 1 2.822 3 1 -4.25874439832055 879788 CC(=C1C(=O)C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)OC 1 3.074 1 3 -1.27847149310587 879783 C1CCC(CC1)NC(=O)C2=CC=CC=C2C(F)(F)F 1 3.838 1 1 -5.58486231409937 879782 C1COCCN1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)O 1 2.049 3 4 0 -10.7770974909496 879759 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C=C(C=C3)Cl)Cl 1 3.59 3 1 1.04942508496013 879726 CCC1=NN=C(S1)NC(=O)C2CCCC2 1 2.022 3 1 -7.83755260832854 879675 CC1=CC2=C(C=C1)OC(=N2)NC3=NC(=O)C=C(N3)C4=CC=CC=C4 1 3.127 4 2 -1.75608050879746 879683 CC1=C(C(=NO1)C(=O)N2CCC(CC2)C(=O)N)C3=CC=CC=C3Cl 1 1.929 3 3 0 -5.48814534069534 879717 C1C(CC(=O)C(=CNC2=CC=CC=C2)C1=O)C3=CC=CC=C3Cl 1 3.514 1 2 -8.4933703468189 879707 C1=CC(=CN=C1)NC(=O)/C=C/C2=CC=CS2 1 1.885 2 1 0 -6.6442900161328 879701 C1CCCC(CCC1)NS(=O)(=O)C2=CC=CC=C2 1 3.511 1 2 -7.9531864677966 879698 CC(C)CCNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC 1 2.48 2 5 0 -16.6748803323866 879696 CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=C(O2)C 1 2.393 2 3 -1.98483973783685 879655 CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=CC=C2CO 1 2.996 1 3 -2.06828983010025 879640 C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=CC=C3)F 1 3.557 1 1 -7.00339608444633 879633 C1=CSC(=C1)CNC(=S)NC2=CC=C(C=C2)F 1 4.041 2 0 -9.04435625732419 879632 CC(C)C(=O)NC1=C2C=CC=C3C2=C(CC3)C=C1 1 3.588 1 1 -7.74299960161818 879629 CC(=NNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC(=CC=C2)OC 1 3.014 2 3 -3.43717063508467 879622 C1C(=O)N=C(S1)NC2=CC=C(C=C2)F 1 2.087 2 1 -6.57028166024446 879607 CCN(CC)C(=O)COC1=C(C=C(C=C1)CC(=O)O)OC 1 1.425 1 5 0 -16.1424801254265 879606 C1=CC(=C(C=C1F)F)NC(=O)/C=C/C(=O)O 1 1.604 1 3 0 -3.30213597168622 879594 CC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C)[N+](=O)[O-] 1 2.275 3 3 -9.33203222481272 879560 CCOC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)C 1 4.099 1 2 12.6745870576591 879553 CC(=O)CC(=O)NC1C2CC3CC(C2)CC1C3 1 1.542 1 2 0 -4.80926841663067 879551 COC1=C(C=C(C=C1)Cl)C(=O)NCC2=CC=CO2 1 2.451 1 3 -8.29676565777252 879545 CC1=CC(=O)OC2=C1C=CC(=C2C)OC 1 2.816 0 3 -1.76405133661346 879541 CCC(=O)OC1=C(C2=C(C=C1)C(=CC(=O)O2)C)C(=O)C3=CC=CC=C3 1 4.184 0 5 -7.58734934942207 879529 CC1=CC(=O)OC2=C1C=C(C=C2)OCC3=CC=CC=C3 1 3.913 0 3 -3.19529810901862 879512 CC(=O)CC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2 1 2.411 2 2 -4.11997846987641 879502 CCOC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C 1 3.047 0 3 -2.14266840175614 879497 C1CN(C(=N1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl 1 3.435 2 1 -0.767810330546422 879496 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC=C(C=C2)Cl 1 3.713 2 2 -10.6175082991904 879486 CCC(=O)NC1=NN=C(S1)CSCC2=CC=C(C=C2)F 1 2.622 3 1 -11.9747798795177 879444 C1=CC=C(C(=C1)C(=O)O)NC(=O)/C=C/C2=CC=CO2 1 2.107 1 4 -7.36830908125403 879442 CN(C)C(=O)COC1=CC=C(C=C1)Br 1 1.827 1 2 0 -3.99136438692533 879437 CC(C)C1=CC=C(C=C1)C2=NN=C(S2)N 1 2.676 3 0 2.3684360815694 879411 CC1=CC(=CC=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NCC(C)C 1 3.336 2 3 -11.6761596408086 879404 COC1=CC=C(C=C1)CC(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 1.714 2 4 0 -6.41562806894012 879398 C1=CC=C(C(=C1)C(=O)NC2=CNC(=O)NC2=O)Br 1 0.225 3 3 0 -12.896877519659 879397 CC1=CC(=CC=C1)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.454 1 2 1.30129157805075 879392 CCC1=NN=C(S1)NC(=O)CSC2=NC3=C(CCC3)C=C2C#N 1 2.741 5 1 -25.4319608644667 879381 CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC=CC=C3 1 4.071 0 4 -6.94028667665293 879370 CCCC(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC 1 1.67 1 5 0 -16.7356425076451 879354 CC1=CC(=CC=C1)OCC(=O)N2CCC3=CC=CC=C3C2 1 3.223 1 2 -8.26632957883149 879338 CC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.454 1 2 0.306843015436739 879331 CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)OC)C)C=O 1 3.781 1 3 -12.01949239842 879325 CC(=O)CC(=O)NC1=CC(=CC=C1)OC 1 0.845 1 3 0 -5.02951343933823 879314 C1CN(CC2=CC=CC=C21)C(=O)COC3=CC=CC=C3 1 2.737 1 2 -9.91742515042671 879313 CC1=CC(=O)N2C(=N1)C(=C(N2)CC3=CC=C(C=C3)OC)C4=CC=CC=C4 1 2.847 3 2 -3.4912766452142 879296 CCC(=O)OC1=CC2=C(C=C1)OC(=O)C=C2C 1 2.78 0 4 -8.70484733151799 879287 CC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2CO 1 2.331 1 3 -5.9945204501296 879280 CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=CC=CC=C3OC 1 4.165 1 3 3.93310165544684 879266 CC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.454 1 2 0.215287277968134 879262 CCC(=O)NC1=NN=C(S1)SC2=CC=C(C=C2)N(C)C 1 2.913 4 1 -10.5868548269545 879259 C1=CC=C2C(=C1)C(=O)N(C2=O)NC(=O)COC3=CC=CC(=C3)[N+](=O)[O-] 1 1.425 3 6 0 -9.63650474590372 879257 CCC(=O)OC1=C(C2=C(C=C1)C(=CC(=O)O2)C)C 1 3.266 0 4 -7.37711562272763 879250 CC1=CC(=C(C=C1)CN2CCN(CC2)N=CC3=C(C=CS3)C)C 1 4.516 3 0 3.32715436710143 879248 CC1=NN=C(S1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.586 4 1 -7.70158744410971 879246 CNC1=NC(=NC(=N1)N2C3=CC=CC=C3N=C2C(F)(F)F)NC 1 2.828 7 0 0 -1.72702559335328 879239 CC1CCN(CC1)C2=NC(=NC(=C2)C)N3C(=CC(=N3)C)C 1 2.759 5 0 -4.41663181890584 879234 CC1=CC=C(S1)C=NN2CCN(CC2)CC3=CC=CC4=CC=CC=C43 1 4.112 3 0 6.65980133149822 879233 CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)C 1 2.088 0 4 -1.75041311727222 879229 CC1=CC(=C(C=C1)CN2CCN(CC2)N=CC3=CC=C(S3)C)C 1 4.175 3 0 4.7680342639732 879197 C1COCCN1C(=O)C2=CC=CC=C2NC(=O)C3=CC=NC=C3 1 0.565 3 3 0 -13.8086985242394 879174 C1CCC(CC1)N2C(=NNC2=S)COC3=CC=CC=C3 1 3.795 3 1 -7.4220485620217 879172 COC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O 1 3.225 2 5 0 -4.50209502592748 879167 CC1=C(C(=CC=C1)NC2=NC3(CCCCC3)N=C(N2)N)C 1 3.322 5 0 2.65821517718158 879154 CC1=CC(=O)N2C(=N1)C(=C(N2)C)C3=CC=CC=C3 1 1.307 3 1 0 -5.18612899902011 879151 CNC1=NC(=NC(=N1)N2CCOCC2)OCC(F)(F)F 1 1.065 5 2 0 -5.40297862825274 879133 C1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)N 1 2.771 4 0 1.26280892516958 879123 CCOC(=O)C1=C(N2C(=CC(=N2)C3=CC=C(C=C3)Cl)N=C1)N 1 2.711 4 2 -2.91272000014586 879111 C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=CC=N3)C4=CC=C(C=C4)F 1 4.898 4 0 7.02843637371565 879106 COC1=CC=CC=C1NC2=NC3(CCCC3)N=C(N2)N 1 1.877 5 1 0 -1.15316831279254 879096 COC1=CC=C(C=C1)NC2=NC3(CCCCC3)N=C(N2)N 1 2.333 5 1 0.158575140870874 879093 CCOC(=O)C1=C(OC2=C1C(=O)C3=CC=CC=C3C2=O)C 1 2.553 0 5 -3.06524093237619 879078 CC1=CC=C(C=C1)COC2=C(C=C(C(=C2)Br)C=O)OC 1 4.374 0 3 -4.05541913452216 879063 CC1=CC=C(C=C1)S(=O)(=O)N=CC2=CC=CO2 1 2.236 1 3 -3.67400803849019 879044 CC1=CC(=NN1C2=NC(=NC(=N2)NC(C)(C)C)NC(C)(C)C)C 1 2.698 7 0 0 -8.43877434583999 879034 C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)OC(F)(F)Cl 1 3.6 1 4 -3.44013454248243 879026 C1CCC(CC1)COC(=O)CCC(=O)O 1 2.055 0 4 -11.0158387313466 879024 C1=CC=C(C=C1)C2=CN=C(O2)C3=CN=CC=C3 1 2.311 2 1 5.13888790078724 879019 CC1=C(C(=O)N2C(=N1)C(=CN2)C3=CC=CC=C3)CC4=CC=CC=C4 1 2.728 3 1 -4.42999191566749 879009 CC1=CC(=CC=C1)N2C(=CC(=C2C)C=NNC(=S)N)C 1 3.453 4 0 -1.45856964309021 879003 CC1=CC(=CC=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC=CS3)C 1 4.29 3 1 -3.51846723526238 879002 CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3 1 3.892 2 2 -13.0303984286872 878993 CC1=CC(=CC=C1)N2C(=CC(=C2C)C=NO)C 1 3.31 2 1 6.11394369780306 878991 CC1=CC=CC=C1C2=NOC(=N2)C3=CC=CS3 1 3.584 2 1 2.49525470477987 878979 C1COCCN1CCNC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 3.667 3 1 -8.81607813013251 878975 CN1C2=CC=CC=C2C(=NOC(=O)C3=CC=CC4=CC=CC=C43)C1=O 1 3.339 2 3 7.63421523066628 878973 CCC1=C(N=C2NN=C(N2C1=O)C3=CC=CC=C3)C 1 2.375 4 1 -9.32090687877797 878970 CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C=NN3C=NN=C3 1 2.876 5 0 4.11184040417616 878953 CC1=C(C2=C(N1C3=CC=C(C=C3)Cl)C=CC(=C2)O)C(=O)C 1 4.213 1 2 2.20315038136674 878951 C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O 1 3.725 2 2 -9.90320212099452 878946 CC1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=O)C4=CC=CC=C4C3=O)C 1 4.889 1 2 0.983609019303225 878941 CCC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC=NC=C3)C 1 3.642 4 1 -5.80944104448445 878912 CC1=CC(=CC=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC=CO3)C 1 3.732 3 2 -2.87720382618223 878901 CC1=C(C=C(C=C1)NCCC(=O)C2=CC=CS2)Cl 1 4.246 1 1 -4.5081227996319 878892 CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C4=CC=CC=C4 1 4.13 2 1 -3.28395826899137 878889 CC1=CC(=CC=C1)N2C(=CC(=C2C)C=NN3C=NN=C3)C 1 2.698 5 0 3.11930343360826 878885 CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C=NNC(=S)N 1 3.631 4 0 -0.466032672522311 878880 C1=CC=C(C=C1)CCC(=O)NC2=NC3=CC=CC=C3C=C2 1 3.831 2 1 -4.03710272730316 878879 CC1=CC=CC=C1NCC(=O)C2=CC=C(C=C2)Br 1 4.129 1 1 -3.77832350738313 878873 C1=CC=C(C=C1)CS(=O)(=O)NC2=NC=C(C=C2)Br 1 2.461 2 2 -6.892378510318 878847 CC1=C(C=C(C=C1)OCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C 1 3.643 1 6 0 -13.3204605622346 878844 C1=CC=C2C(=C1)C=C3C=NC4=NNC(=C4C3=N2)N 1 1.557 5 0 0 1.05923124405563 878839 CC1=CC=C(C=C1)OC(=O)C2=CC=C(O2)Br 1 3.711 0 3 -4.71580268968178 878836 C1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)Cl)C(F)(F)F 1 5.702 2 0 -0.720170160400759 878834 CC1=NN=C(S1)SCC2=C(C=CC=C2Cl)Cl 1 4.018 2 0 -10.7812804236457 878806 C1CCC2=C(C3=C(N2CC1)C(=S)N=CN3)C#N 1 2.432 4 0 -7.77619752176716 878804 CC1(CC2=NC(=NC=C2C(=O)C1)NC(=O)CC3=CC=C(C=C3)Cl)C 1 3.042 3 2 -13.9473086356006 878802 C1=CC(=CN=C1)C(=O)OC2=CC=C(C=C2)C=O 1 1.87 1 3 0 -10.7117234164628 878801 CC(=O)CC1=C(C2=CC=CC=C2C(=C1)O)OC(=O)C3=CC=CC=C3 1 3.693 0 4 -4.80327873511738 878800 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CS3)C4=NC=CN=C4 1 2.467 4 1 -6.38316652107649 878799 CC1=CN=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)F)F 1 3.564 2 1 -3.97661691584911 878793 CCC(=O)NC1=CC=C(C=C1)C(=O)N2C(=CC(=N2)C)C 1 2.143 3 2 -10.1859823696527 878768 CP(=O)(N1CCOC1=O)OC2=CC=CC=C2 1 1.249 1 4 0 -2.67119519032299 878763 COC1=CC=C(C=C1)CCNC(=S)NC2=CC=CC=C2 1 4.4 2 1 -8.01374135581119 878762 CC(=O)NC1=NC2=CC=CC=C2N1CCN(C)C 1 1.352 4 1 0 -4.96314047621534 878760 C1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)Cl 1 5.081 2 0 -6.43693722248648 878744 CC(=O)OC1=CC2=C(C=C1)OC=C2C(=O)C3=CC=CC=C3 1 3.305 0 4 0.213028177917949 878739 CN(C)/C=C\1/C(=O)OC(=N1)C2=CC(=CC=C2)OC 1 1.319 2 3 0 -6.69914438950643 878737 CCN1C2=CC=CC=C2C3=CC(=C(N=C31)N)C(=O)OCC 1 2.923 3 2 -2.15470795722291 878734 CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)O)O)Br)C)C 1 2.943 1 4 -0.267588511158395 878731 C1CC2=C(C(=O)C1)NC3=C2C=CC=C3Br 1 3.684 1 1 -1.79246379997437 878715 C1COC(=O)N1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 2.793 1 3 -6.56548976468298 878709 CCOC(=O)NC1=C(C=CC2=C1C(=C(O2)C)C3=CC=CC=C3)O 1 3.667 1 4 2.49058232143648 878708 CN(C)C1=NC=CC(=C1C#N)NCC2=CC=CC=C2 1 2.031 4 0 -7.83818348210713 878702 CC1=CC=C(C=C1)N2C=NC3=NC=NC(=C32)C4=CC=CC=C4 1 3.977 4 0 5.74700799995381 878695 CC1=CC=C(C=C1)C2=C(C(=CO2)C(=O)OC)C(=O)OC 1 2.94 0 5 -2.82557127769934 878679 CC1=C(SC=C1)C2=NC3=C(C4=CC=CC=C4C=C3)C(=C2)C(=O)O 1 4.941 1 2 -4.24500643811694 878667 COC1=C(C2=CC=CC=C2N1)/C=C(/C#N)\C(=O)OC 1 2.393 2 3 -7.25173562864815 878657 CN(C)/C=C\1/C(=O)OC(=N1)C2=CC3=C(C=C2)OCO3 1 1.103 2 4 0 -9.48731834138428 878649 CC1=NC2=C(C3=CC(=C(C=C13)OC)OC)C(=NO2)C4=CC=CC=C4 1 3.637 2 3 -0.440214842888802 878641 CCOC(=O)C1=CC=CC=C1NC2=CN(C3=CC=CC=C32)C(=O)C 1 3.867 2 3 -2.11915022043145 878619 C1=CC=C(C=C1)C(=O)C2=COC3=C2C(=O)C4=CC=CC=C4C3=O 1 3.607 0 4 -0.929295998471896 878614 COC1=C(C=CC(=C1)C=NN2C=NN=C2)OC(=O)C3=CC=CO3 1 1.855 4 4 0 -6.60879392312897 878612 CCN1C2=CC=CC=C2C(=C1OCC)C=C(C#N)C#N 1 3.32 3 1 -1.5238950151588 878585 COC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)OC 1 4.063 2 2 -8.147266591974 878575 COC1=CC=C(C=C1)C2=C(C(=CO2)C(=O)OC)C(=O)OC 1 2.438 0 6 -3.06976463793404 878557 C1CCN(CC1)CCC(=O)NN=CC2=CC=C(C=C2)Br 1 2.939 3 1 -4.224246347427 878545 CC(=O)OC1=C(NC2=CC=CC=C21)/C=C(\C#N)/C(=O)N 1 1.491 3 3 0 -7.08084828756246 878541 COC1=CC=C(C=C1)N2C=NC(=C2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])N 1 2.865 4 4 0 -4.53864564557405 878538 CCOC(=O)C1=C(NC2=CC(=C(C=C21)OC)Br)C 1 3.205 1 3 -2.32537834277 878519 CC1CCN(CC1)CCC(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.336 4 3 0 -9.29157234406343 878518 CP(=O)(NC1=CC2=C(C=C1)OCCO2)OC3=CC=CC=C3 1 2.159 1 4 0.47215986578076 878516 CCN1C2=CC=CC=C2C(=C1OCC)/C=C(\C#N)/C(=O)N 1 2.444 3 2 -7.93002193097561 878509 COC1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)OC 1 4.384 2 2 -8.68340615965539 878508 CC1=CC(=C2C(=C1)C3=C(N2)C(=O)CCC3)Br 1 4.17 1 1 -1.60007313475007 878500 CCN1C2=CC=CC=C2C3=C1N=C(C(=C3)C#N)N 1 2.597 4 0 -0.335669898821661 878499 CC1=C(C2=C(N1C3=CC=CC=C3)C(=O)N(C=N2)CC4=CC=CC=C4)C#N 1 3.731 4 1 -6.02055683597739 878489 CC(C)(C(=O)O)OC1=CC=C(C=C1)C2=CC=CO2 1 3.004 0 4 4.30040022199956 878477 CS(=O)(=O)N1CCN(CC1)C2CCN(CC2)CC3=CC=CC=C3 1 1.022 3 2 0 -6.83036484862223 878475 CC1=NO[N+](=C1COC2=CC=C(C=C2)C=NN3C(=NN=N3)N)[O-] 1 -2.241 8 3 0 -5.32302116837056 878471 CC(=O)NC1=NN=C(S1)COC2=CC=C(C=C2)Cl 1 1.849 3 2 0 -6.49414197186744 878469 CC1=CC=C(C=C1)N2C(=NC3=NC=NC(=C32)C4=CC=CC=C4)C 1 4.238 4 0 3.89755755078748 878465 C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=CS3 1 2.632 3 3 -10.7626337866863 878464 CC1=NO[N+](=C1COC2=CC=CC=C2C=NN3C(=NN=N3)N)[O-] 1 -2.241 8 3 0 -3.67037701583725 878463 C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)/C=C/C(=O)O)Cl 1 2.643 2 4 -7.7290628960038 878458 CCOC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)C3=CC=CS3 1 3.299 3 2 -13.419353131319 878433 CC1=NOC(=N1)C2=CC=CC=C2OC(=O)C3=CC=CC=C3 1 2.912 2 3 -4.7291153099068 878432 CCC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)C3=CC=CS3 1 3.744 3 2 -10.3980508591932 878428 CCCC(=O)C1=CC(=C(C=C1)N2CCCCCC2)F 1 4.434 1 1 -3.41448067683799 878414 C1=CC=C2C(=C1)C(=O)N(C2=O)NC(=O)CC3=CC=C(C=C3)Cl 1 2.395 2 3 -4.18066316920916 878402 CCCC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C)F 1 4.229 1 1 -4.82287887084692 878399 CCOC(=O)CN1C(=NC2=C(SC(=C2C1=O)C)C(=O)OCC)C 1 1.394 2 5 0 -14.0325569255872 878391 C1=CC(=CC(=C1)F)NC(=O)NC2=NC=C(C=C2)Cl 1 2.781 3 1 1.0561371424978 878385 C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC=C(C=C2)Cl 1 3.24 3 1 0.609927409631215 878377 CC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)OCC(C)C 1 3.505 3 3 -10.1766212121581 878365 C1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)C3=CC=CC=C3F 1 3.71 3 1 -13.0955368408798 878358 CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(N=N2)CCC3=CC=CC=C3 1 4.039 3 3 -16.1240758440467 878340 COC(=O)C1=C(C=CC(=C1C(=O)OC)OC2=CC=CC=C2)O 1 2.859 0 6 -0.658472861992172 878337 C1CCC(CC1)(CC2=CC=C(C=C2)O)NC(=O)C3=CC=CC=C3 1 4.415 1 2 -3.11659354777177 878335 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C3=NC(=NO3)C4=CC=NC=C4 1 3.205 4 2 7.66653743333945 878331 CC(C)OC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=CC(=O)N2)O 1 2.927 2 4 -17.6326410675013 878329 C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N=CN4 1 2.482 2 1 -5.56995743445698 878314 C1=CC=C(C=C1)C(CC(=O)NC2=NC=C(C=C2)Cl)C3=CC=CC=C3 1 4.442 2 1 -6.71277143244191 878309 C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=NC=C4 1 2.914 3 2 4.39374039558935 878295 C1=CC=C(C=C1)C2=CC(=O)NC3=C2C=C(C=C3)Cl 1 3.395 1 1 0.292495467753416 878294 CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=NNC(=O)N 1 2.181 4 1 -4.54030831126247 878291 C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)/C=C/C3=CC=CO3 1 3.115 2 2 0.965236994858557 878269 C1CN(CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)N 1 3.563 2 1 2.15354215343699 878243 C1CN(CCN1C2=CC=CC=C2)C(=O)N3CCOCC3 1 1.098 3 2 0 -2.45239438804834 878236 CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=S)N)C 1 3.453 4 0 -3.64227163661493 878233 CC1=CC=CC=C1NC(=O)/C(=C/C2=CSC=C2)/C#N 1 3.069 2 1 -14.9884523403023 878223 CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-] 1 2.642 4 3 0 -5.08543439471119 878218 CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=O)C(C)C 1 4.502 2 2 0.510195633533421 878202 CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=NN3C=NN=C3 1 2.067 5 2 0 -3.27995503547471 878196 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=S)N3CCOCC3 1 4.186 2 1 -4.49491916759658 878188 CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C=NNC(=O)CC#N 1 2.14 5 3 0 -12.9584240799103 878187 C1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC=CC=C3 1 4.789 1 1 1.02434076716086 878185 CC(=O)OC1=CC=C(C=C1)/C=C/2\C=C(OC2=O)C3=CC=C(C=C3)OC 1 3.301 0 5 -3.82374109913774 878169 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 3.819 3 3 -6.51206880675517 878147 CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O 1 3.183 1 4 -9.91654033157878 878107 C1OC2=C(O1)C=C(C=C2)CNC(=O)/C=C/C3=CC=CO3 1 2.252 1 4 -7.69919392615095 878105 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)Cl 1 4.826 2 1 -1.32476212388156 878074 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.642 4 3 0 -4.20627189285809 878069 CCCC(=O)NC1=CC=C(C=C1)N2CCCCC2 1 3.152 2 1 -8.6177526153364 878067 CC(=O)OC1=CC=CC=C1/C=C/2\C=C(OC2=O)C3=CC=C(C=C3)OC 1 3.301 0 5 -1.63966475701107 878062 CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=NNC(=S)N 1 3.631 4 0 -1.6319763516943 878060 CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C(=O)C4=CC=CC=C4C3=O 1 4.403 1 2 -1.74930766096294 878057 CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)NC3=CN=CC=C3 1 2.873 2 4 -3.33733332968249 878047 CC(=O)OC1=CC=CC(=C1)/C=C/2\C=C(OC2=O)C3=CC=C(C=C3)OC 1 3.301 0 5 -4.08974440838603 878043 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=CC=CC=C3C(=O)O 1 2.859 2 3 -9.65145647389675 878032 COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)Br 1 3.353 1 2 -8.6093604428624 878017 C1CN(CCN1C2=CC=CC=C2)C(=O)/C=C/C3=CC=CO3 1 2.736 2 2 -1.54515952119193 878013 C1=CC=C(C(=C1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl 1 5.139 2 2 -6.62571015476381 878012 CC(=O)NC1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)OC)OC 1 1.702 2 4 0 -11.2561764057868 878007 CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=NO 1 3.572 2 1 4.48387724409752 878002 C1COCCN1C2=NC3=CC=CC=C3N4C2=NN=C4 1 1.009 5 1 0 3.00486991991199 877998 COC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.293 4 1 8.83908911814063 877991 C1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4 1 3.312 4 0 8.51396060145908 877977 CCC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC 1 3.659 0 4 -6.47107498799514 877972 CC1=CC(=C(C(=C1C(=O)OC)OC(=O)C)C)OC(=O)C 1 2.193 0 6 -3.25530603682528 877962 CC1=C(C=C(O1)C=NNC(=O)CC2(OCCO2)C)Br 1 1.119 2 4 0 -7.35333674666764 877955 CC(C)CNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)Cl)Cl 1 2.891 1 4 -7.22852486892806 877924 C1CN2C(=C(C(=O)N=C2SC1)CC3=CC=CC=C3)O 1 2.915 2 2 -14.2406079916132 877917 C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC(=NO3)C4=CC=CC=N4 1 3.855 3 3 -0.855383756565452 877898 CC1=CC2=C(C=C1)N3C(=NN=N3)N=C2C4=CC=CC=C4 1 3.006 5 0 -1.91951124935547 877883 CC(=C1C(=O)CCCC1=O)NC2=CC=CC=C2 1 2.079 1 2 -5.57925735175148 877881 CC1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)N(C2=O)C 1 1.556 2 3 0 -2.70201350910013 877874 CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Br 1 3.15 2 2 -6.4197655521307 877867 COC1=CC=CC=C1CNCC2=CC(=CC=C2)OC3=CC=CC=C3 1 4.495 1 2 3.47632239914796 877843 C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CC=CC=C3 1 2.424 1 3 -11.2651292963608 877833 C1COCCN1CC2=C(C=NC3=CC=CC=C32)O 1 1.535 2 2 0 3.66039695692223 877829 CCCC1=NC2=C(C=CC(=C2C(=C1CC)N)C)C 1 4.59 2 0 0.486522327370386 877820 COC1=C(C(=CC=C1)OC)C(=O)NN2CCCCC2 1 1.636 2 3 0 -6.36731752374598 877814 COC1=CC=CC=C1NC(=O)C2=CC=C(O2)C(=O)C3=CC=CC=C3 1 3.689 1 4 -7.68117820280931 877813 COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NN2 1 1.165 4 3 0 -19.4767731247752 877801 CC1=CC2=C(C=C1)C(=CO2)CC(=O)O 1 2.284 0 3 -1.38195534526458 877800 C1CC2=C(C1)SC3=NC=NC(=C23)N4CCN(CC4)C5=CC=CC=C5 1 4.369 4 0 -1.45861983359637 877786 C1=COC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C3=CC=CO3 1 1.819 2 6 0 -6.42103963823752 877783 CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=O)NC(=O)N(C3=O)C)C 1 2.723 3 3 -3.18044423632 877734 CCOC(=O)C1(CCC1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 1 4.472 0 3 -3.76190346991531 877726 C1C(CC(=O)C(=CNC2=CC=C(C=C2)O)C1=O)C3=CC=CC=C3 1 2.607 1 3 -6.47127764134048 877723 C1C(CC(=O)C(=CNCC(=O)O)C1=O)C2=CC=CC=C2 1 0.476 1 4 0 -13.7274186731735 877715 CCCC1=NC2=CC=CC=C2N1CC(=C)Br 1 4.004 2 0 -3.65689928375422 877676 C1=CC(=CN=C1)CNC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 4.274 3 0 -6.5939114411094 877643 CC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NC3=CC=CC=C3OC 1 3.347 1 3 -9.82785777187771 877628 C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)/C=C/C(=O)O 1 3.7 0 3 2.32439280415346 877619 CC(C)(O)P(=O)(C)C1=CC=CC=C1 1 1.384 0 2 0 -2.92721830121675 877607 C1CN(CCN1C(=O)C2=CC(=CC=C2)Cl)C(=O)C3=CN=CC=C3 1 1.639 3 2 0 -3.74920466100694 877606 CN1CCN(CC1)N=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.285 4 3 0 6.07182781945025 877583 C1CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=CC=C3 1 2.431 2 2 -10.2610980286229 877575 C1C(CC(=O)C(=CNC2=CC=CC=C2O)C1=O)C3=CC=CC=C3 1 2.607 1 3 -5.71591716880543 877570 C1CSC2=NC(=CN21)C3=CC(=C(C=C3)O)O 1 2.288 2 2 9.85799563218431 877547 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)/C=C/C3=CC=CS3 1 3.979 2 1 -1.50384115291003 877545 C1=CC=C(C=C1)N2C=NC(=N2)SCC(=O)C3=CC=CS3 1 3.644 3 1 -4.76030884792411 877528 CCC(=O)NC1=CC=CC(=C1)C2=CN3C=CC=CC3=N2 1 2.304 3 1 -1.83681279397484 877519 CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=C4 1 4.255 4 0 3.50865880461502 877511 CC(=O)NC1=CC=CC(=C1)C2=CSC(=N2)NC3=NC=CC=N3 1 1.549 5 1 0 1.97929874885991 877510 C1=CC=C(C=C1)C(=O)C2=CC=C(O2)C(=O)NC3=CC=CC=C3O 1 3.463 1 4 -1.01433509998362 877499 CC1=C(C=C(O1)C(=O)O)COC2=CC=CC=C2Cl 1 3.232 0 4 -3.58252563394694 877498 C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O 1 1.256 2 4 0 -13.9517600030749 877495 CC1=C(C=C(O1)C(=O)O)COC2=CC=CC3=C2N=CC=C3 1 2.753 1 4 -8.26598418785803 877491 CC(=O)C1=CC=C(C=C1)NCCC(=O)C2=CC=CC=C2 1 2.882 1 2 -5.69874761440624 877490 CC1=CC(=C(C=C1)NCCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C 1 4.009 2 3 -5.71842589766616 877479 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=CC=CC=C3C=C2O 1 3.024 2 3 -0.489461938740204 877474 CC1=CC=CC=C1NC=C2C(=O)C3=CC=CC=C3C2=O 1 3.063 1 2 -2.4924699292484 877472 C1=CC(=CC(=C1)Cl)NCC(=O)C2=CC=C(C=C2)Br 1 4.307 1 1 -0.229462917998481 877471 CC1=C(C=C(O1)C(=O)O)COC2=C(C=C(C=C2OC)C(=O)O)OC 1 2.164 0 8 0 -7.81949369501062 877468 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 4.37 2 1 -4.79762362441248 877463 CC1=C(C=C(O1)C(=O)O)COC2=CC=CC3=CC=CC=C32 1 3.476 0 4 -2.92782176833267 877460 CC1=CC=C(C=C1)NCCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.523 2 3 -4.9010990561656 877459 CC1=CC(=CC=C1)CSC2=NN=NN2C3=CC=CC=C3 1 3.87 4 0 -14.6079595796658 877453 CC1=C(C=C(O1)C(=O)NC2=CC=C(C=C2)O)COC3=CC=CC=C3 1 3.48 1 4 -1.67340304764096 877451 C1=CC=C2C(=C1)C=CC=C2NCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.697 2 3 -4.720219691857 877450 C1=CC=C(C=C1)NCCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.037 2 3 -5.15514742106374 877443 CC1=C(C=CC2=C1CCCC2=NNC(=O)C3=CC(=CC=C3)F)OC 1 4.12 2 2 -7.01486242032095 877442 CC1=CC=C(C=C1)NN=C(C(=O)C)N2CCOCC2 1 1.489 3 2 0 -3.15611562068572 877440 CC1=CC(=CC(=[N+]1[O-])C)N(C)C 1 0.562 2 1 0 -1.78061215028681 877438 CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)OC 1 3.615 2 2 6.90739480873857 877434 CC1=C(C=C(O1)C(=O)O)CSCC2=C(OC=C2)C(=O)O 1 2.157 0 6 -7.91311900968235 877422 CC1=CC(=CO1)C(=O)NC2=CC(=CC=C2)O 1 1.622 1 3 0 -1.77825048790652 877418 COC1=CC=CC(=C1)NCCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.02 2 4 -4.68197853430375 877415 CCC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Br 1 4.833 1 1 -1.32933788513471 877413 CC1=CC(=C(C=C1)NC(=O)CSC2=CC=CC3=C2N=CC=C3)C 1 4.166 2 1 -11.0294033142462 877411 C1=CC=C(C(=C1)C(=O)N)NC(=O)C2=CC=CC=C2F 1 1.822 2 2 0 -8.15482007885507 877407 CC1=CC=C(C=C1)OCC2=C(OC(=C2)C(=O)NC3=CC=CC=C3)C 1 4.208 1 3 -3.40999387951846 877405 COC1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)OC)C=CC=N3 1 2.768 2 3 -6.34068824221753 877404 CC(C)COC1=CC(=O)NC(=N1)SCC(C)C 1 3.503 2 2 -14.1497270515318 877403 CC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Cl 1 4.293 1 1 0.366759995745816 877401 C1=CC(=CC=C1CSC2=NC(=CC(=O)N2)O)Cl 1 3.141 2 2 -9.32233235430269 877399 C1=CC=C(C(=C1)CSC2=NC(=CC(=O)N2)O)C#N 1 2.356 3 2 -14.2012075203799 877392 CC1=CC=C(C=C1)C(=O)NC2CC(NC(C2)(C)C)(C)C 1 2.264 2 1 -11.7692675360109 877385 CC1=CC=C(C=C1)NCCC(=O)C2=CC(=C(C=C2)Cl)Cl 1 4.957 1 1 -0.195569471136032 877376 CC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C3=CC=CC=C3C=C2)O 1 3.024 2 3 -2.30775807001023 877371 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCNC2=CC=C(C=C2)Br 1 3.785 2 3 -4.53576011068022 877369 C1=CC=C2C=C(C=CC2=C1)NC(=O)CSCC3=NC4=CC=CC=C4N3 1 3.632 3 1 -6.44622625271164 877367 C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NN 1 1.736 3 3 0 -5.83661930376694 877366 CC1=CC(=C(O1)C)C(=O)OC2=CC=CC=C2C(=O)O 1 2.286 0 5 -7.12228261477884 877361 CC1=C(C=C(O1)C(=O)O)CSCC2=CC(=C(O2)C)C(=O)O 1 2.089 0 6 -6.55314026632619 877354 C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(S3)N 1 1.992 3 2 0 -8.74289489739467 877335 CC1=CC(=CO1)C(=O)NC2=CC=CC3=CC=CC=C32 1 2.772 1 2 -5.05621337849536 877334 CC1=C(C=CO1)C(=O)NC2=CC=CC3=CC=CC=C32 1 2.772 1 2 -3.89795076479929 877332 CC1=C(C=CC(=C1)OCC(=O)NC2=CC=NC=C2)Br 1 2.534 2 2 -4.57284752220005 877329 CC1=C(C(=CC=C1)NCCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C 1 4.009 2 3 -1.51501516881467 877320 CC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Br 1 4.377 1 1 -1.08989974935562 877319 CC1=C(C(=C(O1)C)C(=O)O)COC2=CC=C(C=C2)C(=O)O 1 2.051 0 6 -3.37176367292523 877310 CC1=CC=C(C=C1)NCCC(=O)C2=CC=CS2 1 3.582 1 1 -5.77896502826001 877308 COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)F)Cl 1 3.468 1 2 -4.19475903875769 877305 C1=CC(=CC=C1C(=O)CNC2=CC=C(C=C2)Cl)Br 1 4.307 1 1 -1.99531985883649 877291 CC1=CC=C(O1)C(=O)CCNC2=CC=CC=C2 1 2.683 1 2 -1.53728869329096 877285 COC1=C(C(=CC=C1)OC)C(=O)NNC(=O)C2=CC=C(C=C2)F 1 2.044 2 4 -5.59685326698316 877269 CSC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.05 2 3 -11.6815142645797 877268 CC1=C(C2=C(O1)C=CC(=C2)O)C(=O)C3=CC=C(C=C3)Br 1 4.189 0 3 1.01676916383563 877261 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2=CC=[N+](C=C2)[O-] 1 0.639 3 5 0 -12.7894314775602 877253 CC1=CC=C(C=C1)S(=O)(=O)CCSC2=CC=CC(=C2)C(=O)O 1 3.662 0 4 -9.77725903888242 877252 CC1=C(C2=C(O1)C=CC(=C2)O)C(=O)C3=C(C=C(C=C3)OC)OC 1 3.408 0 5 0.225466877726866 877236 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C=O 1 2.612 3 1 10.2910719573529 877232 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=O 1 2.612 3 1 7.6012443555132 877229 CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O 1 3.968 1 3 -3.47452215397589 877228 C1=CC(=CC(=C1)Cl)NC(=O)/C(=C/C2=CN=CC=C2)/C#N 1 2.435 3 1 -9.33899083138931 877224 C1=CC(=CC=C1/[N+](=C/C2=CC=NC=C2)/[O-])Br 1 2.095 2 1 1.28813391244805 877222 CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N 1 2.788 1 4 -10.0464411260573 877218 CCC1=CC2=C(S1)N=C(N(C2=O)N)CCC(=O)O 1 0.781 3 3 0 -13.6912139665673 877216 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)/C=C/C3=CC=CC=C3 1 2.518 2 2 -1.01785313723384 877208 COC1=CC2=C(C=C1)OC=C2C(=O)C3=CC=C(C=C3)N 1 2.774 1 3 3.9497684366664 877207 CC1=C(C2=C(O1)C=CC(=C2)O)C(=O)C3=CC=C(C=C3)OC 1 3.424 0 4 0.238464009206113 877206 CC1=CC(=NN1C2=NC(=NC(=N2)C)NCC3=CC=CC=C3)C 1 2.517 6 0 -3.80915499887485 877195 C1=CC(=CN=C1)/C=[N+](\C2=CC=C(C=C2)Br)/[O-] 1 2.095 2 1 0.409040873923299 877188 CC1=CC(=NN1C2=NC(=NC(=N2)C)NC)C 1 0.934 6 0 0 -6.11259178894433 877187 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=NO 1 2.679 4 1 12.4399974879493 877185 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CO3)CO 1 2.794 2 2 13.8990003981813 877183 CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=CC4=CC=CC=C43 1 2.555 2 3 -7.94641078069622 877172 C1COCCN1C2=NSN=C(C2=O)N3CCOCC3 1 -0.702 4 3 0 -2.15128854941052 877170 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)Cl 1 2.396 2 3 -7.79367483214543 877166 CC1=C(C=C(C=C1)OCC(=O)NC2=CC(=CC=C2)O)C 1 3.18 1 3 -2.15966500488463 877160 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F 1 2.142 2 3 -9.21529608979703 877120 C1=CC=C(C(=C1)C2=NC(=NO2)C3=CN=CC=C3)Cl 1 2.659 3 1 5.45323379852821 877063 C1=CC(=CC=C1C2=NC(=NO2)C3=CC=NC=C3)Br 1 2.742 3 1 7.86711011278409 877023 CC1=C(C=CO1)C(=O)NNC(=S)NC2=CC=CC=C2 1 2.523 3 2 -6.49556112358673 877007 COC1=CC=CC(=C1)C=NN2CCN(CC2)C3=CC=CC=C3OC 1 3.16 3 2 2.21632296853668 876988 CCOC(=O)CON1C2=CC=CC=C2[N+](=CC1=O)[O-] 1 -6.7e-002 2 5 0 -10.4651775712075 876975 CCN1C(=C(C2=C1C3=CC=CC=C3C(=C2)OC)C(=O)O)C 1 3.345 1 3 -1.27238527230291 876960 CCON1C2=CC=CC=C2N(C(=O)C1=O)OCC3=CC=CC=C3 1 2.086 2 4 -4.43636896074436 876945 CC1=CC=C(C=C1)C(=O)N2CCN(C2)C(=O)C3=CC=C(C=C3)C 1 3.079 2 2 -5.00518791110358 876940 CC1=CC(=NC2=C1C=CC=C2NC(=S)NC(=O)C3=CC=CC=C3)C 1 4.721 3 1 -7.26750892197268 876939 CCOC(=O)C1=C(N(C2=C1C=C(C3=CC=CC=C32)OC(=O)C)C)C 1 3.355 1 4 -2.93243501574855 876894 COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3 1 4.158 1 3 -3.42179765659277 876893 C1COCCN1C(=S)NC2=CC(=CC=C2)Cl 1 3.4 2 1 -9.43916376800705 876892 C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)NC3=CN=CC=C3 1 3.024 2 2 -3.77195094388202 876891 CC1=C(C(=C(N1C2=CC=C(C=C2)NC(=O)C)C)C(=O)C)C(=O)C 1 1.597 2 3 0 -6.34565129909066 876879 CC1=CC(=O)N=C(N1)N2C(=C(C(=N2)C)OC3=CC=CC=C3O)C 1 2.399 4 3 0 -4.08380370213448 876844 C1=CC=C(C(=C1)NC(=O)NC2=CC3=NC=CN=C3C=C2)Cl 1 2.651 4 1 -2.85582537178255 876830 CCOC1=CC=C(C=C1)C(=S)N2CCOCC2 1 2.687 1 2 -5.95637184966077 876826 COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)OCO3 1 2.373 1 4 -11.7547601344048 876790 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC=C3)F 1 2.588 1 3 -4.6907102875652 876717 CC(C)CNC(=O)C1=CC=CC=C1OC2=CC=CC=C2 1 3.79 1 2 -7.30046113365217 876710 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CC3=CC=CC=C3[N+](=O)[O-] 1 3.008 3 3 -7.19766507746605 876697 C1CCC2=C(CC1)N=C(C(=C2C#N)C3=CC=CC=C3)N 1 3.845 3 0 -2.23612577108619 876692 CC1=CC(=NN1)C(=O)NN=CC2=CC=C(O2)C3=CC=CC=C3Cl 1 3.57 4 2 -2.71416313354182 876691 CC1=CC2=C(C=C1)C(=C)N(C(=O)N2)C3=CC=CC=C3 1 3.217 2 1 1.91428412644258 876686 CC(C)CNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC 1 2.091 2 5 0 -13.5648674241335 876661 C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 3.728 2 1 -4.91489348159171 876648 CC1=C(SC(=C1C#N)N)C(=O)NN=CC2=CN=CC=C2 1 1.229 5 1 0 -5.33302218584619 876620 CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)OC3=CC=CC=C3O)C)C 1 3.11 4 2 4.45741112592995 876610 CC1=CC=C(O1)C2=NN(C=C2/C=C/C(=O)O)C3=CC=CC=C3 1 3.641 2 3 12.8841902885171 876601 CC(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F 1 2.482 2 1 -2.51290158262484 876600 COC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3)OC 1 4.142 1 4 -7.40089265643771 876573 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C#N 1 3.912 3 2 6.17884559679431 876566 C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Cl)C(F)(F)F 1 4.82 2 1 -0.597170219545413 876558 CC1=CC(=NN1)C(=O)NN=C(C)/C=C/C2=CC=CO2 1 1.535 4 2 0 -7.92979682687032 876555 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3 1 2.238 1 5 -8.97784281634767 876549 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C/C(=O)O 1 4.054 2 2 8.17632064660567 876500 COC1=C(C=C(C=C1)C2=NN(C=C2C=O)C3=CC=CC=C3)[N+](=O)[O-] 1 3.64 3 4 0 5.75692842659061 876471 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3 1 4.158 1 3 -3.51037080007382 876453 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC=C3 1 2.382 1 3 -6.49853218734736 876444 CC1=CC(=C(C=C1)OCC(=O)NC2CCCC2)C 1 3.247 1 2 -5.92105798859444 876442 CC1=CC=C(C=C1)SC2=C(C(=O)N3C=C(C=CC3=N2)C)C=NO 1 3.173 3 2 -3.70121077735963 876437 C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC=C(C=C2)OC(F)F 1 4.606 2 2 -5.84298764673566 876425 CC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3 1 2.875 1 3 -8.62555137285499 876418 C1CCC2(C1)NC3=CC=CC=C3C(=O)N2O 1 1.712 2 2 0 -3.00685192165912 876417 CC1=CC(=C(C=C1)OCC2=NC(=NO2)C3=CC=CC=C3)C 1 3.952 2 2 4.88010573333848 876401 CC1=CC(=C(C=C1)OCC(=O)NNC(=O)C2=CC=CO2)C 1 2.074 2 4 -7.42165602638851 876379 CC(C)(C#CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC)O 1 3.166 1 3 -6.02079992454807 876371 CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C\3/C(=O)NC(=O)N(C3=O)C 1 2.237 3 3 -3.65864015257383 876358 CC(=O)N=C1N(C=CS1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.197 3 4 0 -13.1653452775513 876338 COC1=CC=C(C=C1)/C=C(\C(=O)O)/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.294 2 6 0 -15.6018401164779 876337 C1CC(=O)C(=CNCC2=CC=CC=C2)C(=O)C1 1 1.294 1 2 0 -8.76643860762493 876336 COC1=CC=C(C=C1)NC=C2C(=O)CCCC2=O 1 1.549 1 3 0 -6.93798245399697 876330 CC1=CN2C(=NC(=C(C2=O)C=O)N3CCOCC3)C=C1 1 0.255 3 3 0 -12.4691568383089 876327 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC3=CC=CO3 1 3.219 2 3 -16.3163748213913 876323 C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(O2)C=NNC(=S)N 1 4.333 3 1 -0.855817678687319 876298 C1CCN(CC1)C2=NC3=CC=CC=C3N2N 1 1.854 4 0 0 -0.665919119470501 876296 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C#CC(C)(C)O 1 3.515 1 3 -6.7870230762561 876292 CCOC1=NON=C1C(=C(C(=O)C)C(=O)C)N 1 -0.374 3 4 0 -7.00534862453548 876291 CCOP(=O)(C1=CC=CC=C1)C2(CC2)C#N 1 1.864 1 2 0 -5.39667618806354 876289 CC1=C(C2=C(O1)C=CC(=C2)O)C(=O)C3=CC=C(C=C3)F 1 3.646 0 3 1.3633072438155 876279 CC1=C(C2=C(O1)C=CC(=C2)O)C(=O)C3=CC=C(C=C3)Cl 1 4.105 0 3 2.47342890893707 876275 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C#CC3(CCCCC3)O)C 1 5.287 1 2 -3.86908180308247 876273 C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C=NNC(=O)N 1 2.956 3 2 2.97957188399761 876263 C1CCC(CC1)C2=NOC(=N2)C3=CC=CC=C3 1 3.607 2 1 1.97450167847413 876259 C1CCC2(CC1)C(=CC(=O)O2)NCC3=CC(=C(C=C3)Cl)Cl 1 4.25 1 2 0.255382820069736 876251 CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)O 1 3.441 2 2 -2.39151600850873 876242 C1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4 1 4.315 3 0 9.11164684744269 876241 CCOC(=O)C1=C(N=C2CC(CC(=NO)C2=C1C)(C)C)C 1 2.706 2 3 -7.66143283305201 876239 C1CC2=CC=CC3=C(C=CC1=C23)NC(=O)C4=CC=C(O4)Br 1 4.087 1 2 -4.32825965863933 876225 CCCC(=O)NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C 1 4.01 2 2 1.73841201218491 876217 CC(C)(C)C1=CC(=NO1)NC(=O)C2=CC(=C(C(=C2F)F)F)F 1 4.121 2 2 -8.75758368507683 876205 CCC(=O)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)OCC 1 3.291 4 2 -5.43031844081908 876196 CC1=C(C=C(C=C1)C2=CC=C(O2)C=NN3C=NN=C3)Cl 1 3.4 4 1 3.98190895170977 876193 CC1=CC(=C(C(=C1Cl)C(=O)N2CCN(CC2)C)F)F 1 2.762 2 1 -1.39387155588767 876183 CN(CP(=O)(CCC1=CC=CC=C1)O)S(=O)(=O)C 1 0.686 1 4 0 -5.31359907012613 876172 CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=O)C4=CC=CC=C4 1 3.596 3 2 -0.614222185252285 876160 C/C=C/C1=CC(=C(C=C1)OC(=O)C)OC 1 2.535 0 3 -4.18629231576973 876159 CCC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)C 1 3.554 2 2 8.79770501298538 876145 CC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3 1 4.599 1 2 -2.03587661309331 876135 CCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 3.238 3 4 0 -16.2923548386365 876098 CN(C)CCNC(=O)NC1CCCCC1 1 1.366 3 1 0 -8.39943088471719 876095 C1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4 1 2.949 3 2 1.24430510338758 876094 COC1=C(C=CC(=C1)C=NN2C(=NN=N2)N)OCC3=CC=C(C=C3)F 1 2.336 6 2 0 -7.73600670022511 876084 CCCC(=O)NC1=NC=C(C=C1)Br 1 2.21 2 1 -11.6312765602739 876026 C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=O)/C=C/C4=CC=CO4 1 3.918 3 2 2.14505205643793 876015 CCC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 2.997 2 3 -1.9458525496679 876013 CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C2=O)C 1 0.649 2 3 0 -9.79530866474253 876010 CCC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC3=CC=CC=C32 1 3.31 2 2 -4.97078676103547 876009 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 3.389 2 4 -7.55950460884408e-002 875996 C1CCC(C1)CCC(=O)N2CCN(CC2)C(=O)C3CC3 1 1.926 2 2 0 -12.775180679813 875995 CCC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2 1 3.31 2 2 -4.46511885533246 875993 CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] 1 2.782 3 4 0 -10.870060703989 875986 C1CCC(CC1)N(C2CCCCC2)C(=O)C3=C(C=CC=C3F)F 1 5.371 1 1 -4.23596060086009 875949 CCOC1=CC=CC(=C1)C(=O)NC2=CC3=CC=CC=C3C=C2 1 3.855 1 2 -4.27082864225262 875934 CCCC(=O)NC1=CC=CC(=C1)C2=NC3=C(O2)C=C(C(=C3)C)C 1 4.496 2 2 1.61156028521744 875918 CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.296 3 4 0 -10.9894532606358 875910 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=O)/C=C/C4=CC=CO4 1 4.404 3 2 -0.470130825563035 875904 CCC(=O)NC1=CC=CC(=C1)NC(=O)C 1 0.737 2 2 0 -6.71351165123564 875903 CC1=CC(=C(N1C)C)/C=C/2\C(=O)NC(=O)N2 1 0.327 3 2 0 -9.55047503440356 875880 C1COCCN1C(=O)CC2=CC=C(C=C2)Br 1 1.714 1 2 0 -8.99270542742346 875864 CS(=O)(=O)N(CC(=O)O)C1=CC(=CC=C1)Cl 1 1.092 1 4 0 -8.57501167377023 875861 CC1=CC=C(C=C1)SCC(=O)N2CCCC2 1 2.584 1 1 -5.69488521810574 875850 CC1=CC=CC=C1N(CC(=O)N)S(=O)(=O)C 1 0.287 2 3 0 -11.5365676373279 875841 CC1=CC=CC=C1CSCC(=O)NC2=CC=C(C=C2)OC 1 3.484 1 2 -11.0337708324913 875838 C1COCCN1C(=O)CCSC2=CC=CC=C2 1 1.573 1 2 0 -9.17420144736257 875828 CC(=O)OC1=CC=C(C=C1)C=NNC(=S)NC2=CC=CC=C2 1 3.853 3 2 -8.276175673728 875821 C1=CC=C(C(=C1)/C=C/C(=O)NC2=CC=NC=C2)Cl 1 2.596 2 1 -2.31789884193481 875766 C1COCCN1C(=O)CSCC2=CC=C(C=C2)Cl 1 1.996 1 2 0 -10.2527167368893 875760 CC1=CC=C(C=C1)SCC(=O)N2CCOCC2 1 1.811 1 2 0 -7.61765018204941 875742 COC1=C(C=C(C=C1Cl)C(=O)NC2=NC=C(C=C2)Cl)Cl 1 3.98 2 2 -2.68401051695514 875727 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2=CC=CS2 1 2.983 2 3 -11.1093750172639 875707 CC1=CC(=CC=C1)N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2 1 2.716 1 4 -12.7607541849624 875700 C1CCCC(CC1)NC(=O)CC2=CC=C(C=C2)Cl 1 4.051 1 1 -5.78075373709714 875695 CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2CCOCC2 1 2.046 3 3 -12.1789744309399 875689 CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=CC=C2 1 4.621 2 2 -13.5545816468992 875656 CC1CCN(CC1)C(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C 1 3.908 2 1 -11.1859760603258 875637 CC(C)CNC(=O)CSC1=CC=C(C=C1)Cl 1 3.287 1 1 -7.50014633522373 875617 CC(C)NC(=O)CSCC1=CC=CC=C1Cl 1 2.829 1 1 -16.7465767654628 875589 C1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Cl 1 3.226 1 1 -8.68442028711372 875582 C1=CC=C(C(=C1)/C=C/C(=O)NC2=NC=C(C=C2)Cl)Cl 1 3.799 2 1 -0.830264315397168 875580 CC1=CC=C(C=C1)CSCC(=O)N2CCCC2 1 2.591 1 1 -10.1519504635325 875579 CN1C2=C(C=N1)C(=NC=N2)NC3=CC=CC(=C3)C(=O)O 1 1.181 5 2 0 0.912209175899953 875577 C1CCC(C1)NC(=O)CCSC2=CC=CC=C2 1 3.081 1 1 -8.39390402309128 875563 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C(/C#N)\C(=O)NC3=CC=CC=C3 1 2.938 4 1 -15.0835981997696 875562 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C(\C#N)/C(=O)NC3=CC=CC=C3 1 2.938 4 1 -15.0835981997696 875556 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3 1 2.461 3 2 -5.18368246413518 875553 CC1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=CC=C2Cl 1 4.239 1 1 -3.59248398319213 875541 CC(=O)OC1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=CC=C2 1 2.154 2 4 -4.61890179883042 875508 C1CCN(C1)C(=O)CSC2=CC=C(C=C2)Cl 1 2.762 1 1 -3.87288652751892 875502 CC1=CC(=C(N1C)C)/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C 1 2.625 3 1 -4.85561246710035 875498 CCN(CC)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)OC 1 4.122 2 2 -7.68809512794598 875483 CS(=O)(=O)N(CC(=O)N1CCCC1)C2=CC=CC=C2F 1 0.879 2 3 0 -15.2109392143758 875453 C1=CC(=CC(=C1)Br)CSCC(=O)N 1 1.98 1 1 0 -7.39638322361989 875448 C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)OCC(=O)N 1 1.223 3 4 0 -6.8196911344941 875439 CCOC1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 3.461 5 1 5.14488376876995 875433 C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC=C2Br 1 3.763 1 1 -8.07053006817141 875432 CCC1=C(C2=C(NN(C2=NC1=O)C3=CC=CC=C3)C)C 1 2.668 3 1 -4.52203295994357 875429 CC(C)C1=CC=CC=C1NS(=O)(=O)N(C)C 1 1.526 2 2 0 -3.783390121437 875416 C1CCC(C1)NC(=O)CCSC2=CC=C(C=C2)Cl 1 3.746 1 1 -5.64874010718834 875414 C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl 1 4.494 1 1 -3.36379493491024 875407 CN1C2=C(C3=CC=CC=C3C4=CC=CC=C42)N=C1C5=CC=C(S5)C=O 1 5.297 2 1 5.43537988064563 875406 CCOC1=CC=CC=C1N(CC(=O)N2CCCC2)S(=O)(=O)C 1 1.006 2 4 0 -17.025302504391 875402 C1=COC(=C1)C(=O)CCNC2=CC(=C(C=C2)Cl)C(F)(F)F 1 4.144 1 2 -2.15169998618172 875397 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=CC=C3)Br 1 3.01 3 1 -1.00631855274594 875384 COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)F)C(=O)OC 1 2.531 1 5 -8.30841243522265 875383 CN(C)S(=O)(=O)NC1=CC(=CC(=C1)Cl)Cl 1 1.66 2 2 0 -1.00288033864737 875378 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C 1 2.479 3 2 -5.23105737733584 875376 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC2=NC=C(C=C2)Cl 1 4.183 2 2 -1.97354478504251 875360 C1C(CC(=O)CC1=O)C2=CC=CC=C2Cl 1 2.261 0 2 -0.951111683256979 875307 C1CCC(CC1)NC(=O)CCSC2=CC=C(C=C2)Cl 1 4.202 1 1 -6.00320862135642 875306 CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2 1 2.323 3 1 -10.9824724404753 875288 CC(C)N(CC1=CC=CC=C1)C(=O)CCC2=CC=CC=C2 1 4.044 1 1 -10.0394288237588 875278 CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2 1 4.3 2 2 -13.0184420792178 875277 C1=CC=C(C=C1)SCCC(=O)NC2=CC=CC=C2Br 1 4.004 1 1 -7.08069223810877 875276 C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)Br 1 5.115 2 0 -2.58813875187951 875268 C1CCCN(CC1)C(=O)CC2=CC=C(C=C2)Br 1 3.4 1 1 -7.42440897764787 875263 C1=CC=C(C=C1)/C(=C/C2=CC=C(O2)SC3=NC4=CC=CC=C4N3)/C#N 1 5.35 3 1 -5.41565407111988 875251 C1=CC(=CC=C1SC2=CC=C(O2)C=NN3C=NN=C3)Cl 1 3.347 4 1 4.60259892327782 875240 CC1=CC=C(C=C1)CSCC(=O)NC2=CC=C(C=C2)OC 1 3.484 1 2 -9.31305856720205 875239 CNC(=O)C1=CC=C(C=C1)N(CC2=CC=CC=C2)S(=O)(=O)C 1 1.738 2 3 0 -13.9457571442346 875226 COC(=O)/C=C\1/C(=O)N=C(S1)NC(=O)C2=CC(=CC=C2)Cl 1 2.652 2 4 -6.15663112262594 875217 COC(=O)/C=C\1/C(=O)N=C(S1)NN=CC2=CC=CO2 1 1.58 3 4 0 -5.84092030246592 875216 COC(=O)/C=C/1\C(=O)N=C(S1)NN=CC2=CC=CO2 1 1.58 3 4 0 -5.84092030246592 875215 CC1=CC(=C(N1C)C)/C=C(/C#N)\C2=CC(=CC=C2)Cl 1 3.91 2 0 -4.04985595237395 875199 C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CS2 1 2.894 0 3 -11.2715003102181 875188 C1CCC(CC1)C(=O)NNC(=O)C2=CC=C(C=C2)Br 1 3.082 2 2 -4.75256759363672 875166 CC1=CC(=O)OC2=CC(=C(C=C12)NC(=O)CCC(=O)O)C 1 1.798 1 5 0 -15.4658552217677 875165 CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=C)C 1 3.849 0 3 -9.31185088363195 875154 CC1=CC(=NC=C1)NC(=S)NC(=O)C2=CC=CO2 1 2.563 3 2 -6.03583213608183 875146 COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CO3 1 3.298 3 3 -6.58791452189943 875142 C1=CC=C(C=C1)COC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 3.174 0 5 -10.4330370631818 875137 CCOC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 1.815 3 5 0 -7.16717212848818 875131 CC1=CC=CC=C1NC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F 1 4.511 1 1 -1.09373237681543 875122 C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC4=CC=CC=C4C=C3 1 3.617 2 2 0.122503766015905 875116 C1=CC=NC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br 1 2.967 1 3 -10.2607261432742 875112 C1=CC=C(C=C1)OC(=O)NC2=NN=CS2 1 1.644 3 2 0 -5.67113436934494 875108 CC1=CC(=NC=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2 1 3.636 3 1 -4.00130833004516 875103 CC1=CC(=CC=C1)NC2=NC=NC3=C2C=NN3CC4=CC=CC=C4 1 3.621 5 0 4.12785949812524 875095 CC1=C(N(C2=CC=CC=C12)C)C(=O)C(C)C 1 3.976 1 1 -1.8575335095418 875062 CN1C=C(C2=CC=CC=C21)/C=C(/C(=C3CCCCC3)C(=O)O)\C(=O)O 1 4.374 1 4 0.599549564179428 875060 C1CCN(C1)C(=O)COC2=CC3=CC=CC=C3C=C2 1 2.448 1 2 -3.36328905608097 875046 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C)C 1 2.358 0 4 -7.82503220595663 875011 CC1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4 1 3.788 3 1 -2.66626231756858 875007 C1CCC(CC1)(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.814 1 4 -4.50173903360075 874999 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NCCC3=CCCCC3 1 3.379 1 4 -16.2785921148065 874993 CC1=CC=C(O1)/C=C/C(=O)NC2=CC=CC3=C2C=CC=N3 1 2.809 2 2 -4.78922976591471 874972 COC1=C(C=C(C=C1)C=NN2CCOCC2)COC3=CC=C(C=C3)F 1 3.007 2 3 -3.27317590257636 874963 CN1C2=C3C(=CC1=O)C4=CC=CC=C4C(=O)C3=C(C=C2)N5CCCC5 1 3.134 2 2 5.52624693637151 874941 CCC(=NO)CC(C)(C)C1=CC=CC=C1 1 3.243 1 1 -0.401210220116178 874940 CC1=CC=C(C=C1)C2=NOC(=N2)COC3=CC=CC=C3C 1 3.952 2 2 4.14166315463436 874931 CC1=CC=C(C=C1)S(=O)(=O)NC2(CCCCC2)C(=O)O 1 2.636 1 4 -6.32373772418757 874926 CC(C)(C(=NO)C1=CC=C(C=C1)Br)NO 1 2.387 2 2 1.77945610427645 874898 C1CCC(CC1)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 4.019 1 1 4.91216755084678 874891 C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CN=CC=C2 1 3.083 3 1 -6.48478516570593 874886 C1C2CC3CC1CC(C2)C3NC(=O)CCC4=CC=CC=C4 1 3.786 1 1 -6.91443335298459 874878 CC1=C(SC(=N1)NC(=S)NC2=CC=CC=C2)C 1 3.319 3 0 -5.44817180993101 874864 C1=CC=C(C=C1)CCC2=NC(=NO2)C3=CC=NC=C3 1 2.485 3 1 1.2786780160238 874860 C1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2F 1 3.311 1 1 -8.67384327474197 874847 C1=CC=C(C=C1)NC(=S)NC2=NC=C(C=C2)Br 1 4.031 3 0 -6.494566847006 874842 CCNC(=O)COC1=CC2=CC=CC=C2C=C1 1 2.13 1 2 -4.36434222463164 874835 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C=C/C2=CC=C(O2)C 1 3.245 1 4 -11.7896891676992 874821 C1=CC=C(C=C1)CCC(=O)NCC2=CC=C(C=C2)F 1 3.318 1 1 -11.8564509749973 874793 COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)/C=C/C4=CC=CC=C4 1 4.569 1 3 -9.96823358841305 874773 C1=CC=C(C(=C1)CC2=NOC(=N2)C3=CC=C(C=C3)Cl)Cl 1 4.508 2 1 1.23516471300957 874753 CCCC(=O)C1=C(C2=CC=CC=C2N1C)C 1 3.969 1 1 -4.5589026025499 874752 CCOC1=CC=CC=C1N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2 1 2.563 1 5 -16.9377168724879 874744 CC(C)COC1=CC2=C(C=C1)NC3=C2CCC(=C)C3=O 1 4.588 1 2 -3.07799660355762 874741 CC1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F 1 4.511 1 1 1.01607271838574 874737 C1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(F)(F)F 1 4.048 1 1 -8.28047779429303 874726 CCOC(=O)C1=C(SC=C1C2=CC=NC=C2)N 1 1.441 2 2 0 2.08490090227902 874722 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCCCC3 1 3.577 2 2 -12.0084860504006 874720 COC(=O)C1=C(C2=CC=CC=C2S1)N 1 2.092 1 2 -1.19971131509249 874700 CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC(C)C)N 1 3.942 1 2 0.383356479235271 874697 CC(C)OC1=CC=CC(=C1)C(=O)N2CCCC2 1 2.414 1 2 -7.34677874000549 874645 COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)N)OC 1 2.21 1 4 -0.352992231047393 874628 CC1=CC=CC(=C1)C2=CSC(=C2C(=O)OC)N 1 2.729 1 2 6.47175389579245 874620 CC(C)OC1=CC=C(C=C1)C(=O)N2CCCC3=CC=CC=C32 1 4.061 1 2 -9.67261499682861 874614 CCOC1=C(C=CC(=C1)C=O)OCC(=O)N 1 0.759 1 4 0 -12.1996959306648 874587 CC1=CC=C(O1)/C=C/C(=O)NCCC2=CC=CC=C2 1 2.951 1 2 -6.46271039978597 874575 COC1=C(C=C(C=C1)C(=O)NCCC2=CCCCC2)OC 1 3.332 1 3 -14.6638025287655 874557 COC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.875 1 4 -11.2506011539108 874556 CN(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 2.638 3 5 0 -11.9280713282874 874555 CC1=CC=CC=C1OCC2=NC(=NO2)C3=CN=CC=C3 1 2.316 3 2 1.03266817266223 874553 CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=C(S2)C 1 2.951 2 2 -6.15030722726596 874549 CC1=NC2=CC=CC=C2N1C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 3.819 3 3 3.28312669917021 874546 CNC(=O)N1C=CC(=N1)C(=O)N2CCCCC2 1 1.019 4 2 0 -8.91051499997216 874524 C1=CC(=CC=C1S(=O)(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])Cl 1 2.464 3 5 0 1.50421651824488 874518 CC1=C(C=CO1)C(=O)NC2=NC=CS2 1 0.861 2 2 0 -5.01508396841417 874496 CC(C)C(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2 1 3.629 2 1 -7.71194889403822 874491 C1C(CC(=O)C(=CNC2=CC=CC=C2)C1=O)C3=CC(=CC=C3)Cl 1 3.514 1 2 -7.99797016614305 874478 CC1(CC(CC(N1)(C)C)NS(=O)(=O)C2=CC=C(C=C2)Cl)C 1 2.145 2 2 -9.75544068919006 874473 CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCCCC2 1 4.029 1 1 -2.21371076337107 874470 CCC1=CC(=CC=C1)NC(=O)C2=CC=C(O2)Br 1 3.52 1 2 -3.60265179412674 874461 C1CN(CCN1CC2=CC=CC=C2)C(=O)C(Cl)(Cl)Cl 1 2.798 2 1 -1.40549781823493 874451 CCC1=CC=CC(=C1NC(=O)C2=C(OC=C2)C)C 1 3.292 1 2 -4.87377645313592 874448 CCNC(=O)C1=C(C2=C(S1)C=C(C=C2)C)Cl 1 3.69 1 1 -1.27279603545558 874440 C1CN(CCN1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)F 1 3.458 2 1 -0.247000086841669 874434 CC(C)CNC(=O)C1=C(C=CC(=C1)Cl)OC 1 2.877 1 2 -6.95607144551544 874396 COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)C3=CC=CC=C3)OC 1 2.314 2 4 -6.77719336991499 874389 COC1=C(C=C(C=C1)Cl)C(=O)NCC2=CC3=C(C=C2)OCO3 1 3.037 1 4 -7.97837082467673 874386 CCC(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)OC 1 1.78 2 4 0 -12.1260283374333 874347 COC(=O)C1=C(C=CS1)NC(=O)COC2=CC=C(C=C2)Cl 1 2.923 1 4 -7.16516227988428 874346 CC(C)CCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC 1 2.368 2 5 0 -16.3468998965805 874302 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C 1 0.637 2 5 0 -10.2999075484914 874291 CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.659 2 3 -1.64347371420446 874288 CC1=C(C=C(C=C1)C(=O)NC2=NOC(=C2)C)[N+](=O)[O-] 1 2.134 3 4 0 -17.005940147065 874287 COC1=C(C=C(C=C1)CC(=O)NC2CC2)OC 1 1.529 1 3 0 -12.1516930223204 874260 C1=CC=C(C=C1)OCC(=O)NC2=NNN=N2 1 0.82 5 2 0 -7.36908308862146 874249 CC(C)C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 1 3.639 1 2 -6.82695975646292 874248 CCOC(=O)C1=CC=CC=C1NC(=O)COC2=CC=CC=C2 1 2.654 1 4 -12.5141472228857 874241 CCC1=NN=C(S1)NC(=O)C2=CC=C(O2)Br 1 1.979 3 2 0 -12.7416777395973 874235 CSC1=NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)N1 1 4.227 2 1 -11.6208536105467 874225 CC1=C(C=CO1)C(=O)NC2CCCCCC2 1 2.601 1 2 -5.50705225425935 874224 C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C4=CC=NC=C4 1 3.127 2 1 -2.43800015270461 874212 C1CCC(C1)C(=O)NC2=CC=C(C=C2)C(=O)N 1 1.622 2 2 0 -3.16701135651717 874211 CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C)C 1 1.972 2 2 0 -6.17952016627465 874195 C1=CC(=CC(=C1)Cl)CCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.501 2 3 -7.77270578474116 874190 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)OC)C(=O)OCC)C 1 2.473 2 5 0 -19.56339632032 874127 CCN(CC)C1=CC=C(C=C1)C(NC(=O)C)NC(=O)C 1 1.209 3 2 0 -9.92822042147989 874125 CC1=C(C=C(O1)C2=NC3=CC=CC=C3N2C)C(=O)C4=CC=CC=C4 1 4.421 2 2 4.68775503419393 874111 CN1C=C(C2=CC=CC=C21)C3=NC4=CC=CC=C4N3 1 3.77 3 0 5.04241086463262 874101 C1CCC(CC1)NC(=O)/C(=C/C2=C(C=CC(=C2)Cl)O)/C#N 1 3.625 2 2 -5.58769318185905 874094 CCOC(=O)/C(=C/C1=C(N(C(=C1)C)C2=CC=CC=C2)C)/C#N 1 3.508 2 2 -9.92107877275242 874068 CC1=C(C=C(C(=O)N1)C(=O)NCC2=CC=CC=C2)C(=O)OC 1 0.757 2 4 0 -15.4188407024924 874064 CCOC(=O)/C(=C/C1=C(N(C(=C1)C)C2=CC=C(C=C2)C)C)/C#N 1 3.994 2 2 -9.44288285649859 874059 C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=CC=C3 1 2.714 3 3 -6.18635046381156 874053 CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)NC3=CC=CC=C3 1 4.311 2 2 -4.60775331505418 874047 CN1C2=CC=CC=C2N=C1C3=CC=C(S3)C=O 1 3.48 2 1 2.30233634047579 874021 C1CCC(CC1)NC(=O)/C(=C/C2=CC(=CC(=C2O)Cl)Cl)/C#N 1 4.29 2 2 -6.15452655613883 874018 CN1C2=CC=CC=C2N=C1C3=CC=C(S3)C(=O)C4=CC=CC=C4 1 5.125 2 1 -1.13503262033722 874004 C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=CC=C2)F 1 2.591 2 2 0.63438633653632 874000 C1COC2=C(O1)C=CC(=C2)C=NNS(=O)(=O)C3=CC=CC=C3 1 2.172 2 4 -4.68797278620129 873995 CCC(=O)C1=CN(C(=C1)C2=NC3=CC=CC=C3N2C)C 1 3.474 3 1 -1.67000242846302 873978 CC1=C(C(=NC(=N1)C)NC(=O)CC2=CC=CC=C2)C(=O)C 1 1.388 3 2 0 -9.18849028759844 873977 COC1=CC=CC=C1N2CCN(CC2)C(=O)CC3=CC=C(C=C3)Cl 1 3.556 2 2 -3.89173582774503 873976 C1=CC=C2C(=C1)C(=O)C(=CNCC3=CN=CC=C3)C2=O 1 1.155 2 2 0 -5.56473108888836 873955 CN1C=CC=C1C=NN2CCN(CC2)CC3=CC=C(C=C3)Cl 1 3.36 4 0 3.02596696682165 873953 CC1=CC=CC(=C1)C(=O)CC(=O)C2=C(C=CC(=C2)Cl)O 1 4.063 0 3 7.80693258400447 873949 CC1=CC(=C(C2=C1N=C(C=C2N3CCOCC3)C)N)Br 1 2.636 3 1 1.56115839215382 873943 CCC(=O)NC1=C(C(=NC(=N1)C2=CC=CC=C2)SC)C(=O)C 1 2.818 3 2 -3.82794562154155 873937 C1CN(CCN1CC2=CC=C(C=C2)Cl)N=CC3=CC=CO3 1 3.164 3 1 5.55120005323032 873933 C1=CC(=CC=C1CC2=NC(=NO2)C3=CC=NC=C3)Cl 1 2.693 3 1 4.89152584387907 873931 CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC(=N2)C)NC3=CC=CC=C3OC 1 4.213 3 3 8.72541549844913e-003 873924 C1CN(CCN1CC2=CC=CC3=CC=CC=C32)N=CC4=CN=CC=C4 1 2.862 4 0 5.99629111551708 873918 C1C(=NNC1=O)CC(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 0.269 5 4 0 -14.6950376171319 873914 CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C=O 1 1.617 2 3 0 -3.31774299855899 873908 CC1=C(SC2=NC(=NC(=C12)N3CCCC3)C4=CC=CC=C4)C#N 1 4.55 4 0 3.4729422017478 873902 CC(=O)C(=C(N)N1CCN(CC1)CC2=CC=CC=C2)C(=O)C 1 1.062 3 2 0 0.450607772813162 873878 C1=CC=C(C(=C1)CO)NC(=O)CC2=CC=C(C=C2)Cl 1 2.709 1 2 -4.31607562030511 873872 COC1=CC=CC(=C1)C(=O)NC2=C(SC=C2)C(=O)OC 1 2.407 1 4 -9.43888087525456 873865 CC1=CC=C(O1)/C=C/C(=O)NCC2=CC=CO2 1 1.811 1 3 0 -7.33330955406034 873835 C1CCC(=CC1)CCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.924 2 3 -12.5567823364736 873831 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 3.233 1 2 -1.78812124819095 873826 C1=CC=C(C(=C1)C(=O)NC(=S)NC(=O)C2=CC=CC=C2F)F 1 3.576 2 2 -7.59095200356647 873825 C1COCCN1CCNC(=O)NC2=CC=C(C=C2)Cl 1 1.437 3 2 0 -6.80198895099017 873800 C1CCCC(CCC1)NS(=O)(=O)C2=CC=C(C=C2)F 1 3.717 1 2 -6.34529980309519 873781 C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 3.455 2 3 -5.88642081310086 873752 CC1=C(SC(=C1C(=O)OC)NC(=O)CC(C)C)C(=O)OC 1 2.6 1 5 -19.6807203281287 873748 C1=CC(=C(C=C1Cl)Cl)/C=C/C(=O)NCC2=CC=NC=C2 1 3.267 2 1 -1.88897879449218 873734 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 4.395 2 3 -3.36454093587678 873733 CC1=C(C=CO1)C(=O)NCCC2=CC(=CC=C2)Cl 1 2.856 1 2 -3.27030703390128 873732 C1COC2=C(O1)C=CC(=C2)NC(=O)CCC3=CC=CC=C3 1 2.891 1 3 -11.6524498495462 873730 COC1=CC(=C(C=C1NC(=O)C2CCCC2)OC)Cl 1 3.252 1 3 -4.5313862542308 873721 CN(C)C1=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3 1 4.062 3 0 8.54783562268207 873698 CC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=C3OC 1 3.81 2 2 -2.71583150768098 873692 CC1=C(SC(=S)N1C)C(=O)NN=CC2=CN=CC=C2 1 1.872 4 1 0 -6.99639931516735 873682 CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C(F)(F)F 1 2.629 2 2 -4.42830277512252 873668 CC(=O)NC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.102 2 3 -5.9531185812314 873666 CC1=CC(=C(C=C1)NC(=O)NC2CCCCC2)C 1 3.777 2 1 -10.3989434763622 873657 C1=CC=C(C(=C1)C(=O)NC2=C(C=CC=N2)Cl)F 1 2.873 2 1 -5.70577499255748 873654 CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=CC=C2 1 2.992 2 2 -5.85611293059455 873640 C=CCN(CC=C)C(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-] 1 3.036 2 3 -11.7513390072463 873637 CC(C)CCNC(=O)CC1=CC=CC=C1[N+](=O)[O-] 1 2.547 2 3 -17.4245468324237 873635 C1=CC2=C(C=C1O)NC(=N2)CCC(=O)NN 1 9.e-002 4 2 0 -3.85843426268548 873588 CCSC1=NN=C(S1)NC(=O)C(C)(C)C 1 2.402 3 1 -20.0247708747698 873580 CC1=C(C=C(C=C1)Cl)NC(=O)C2CCCC2 1 3.771 1 1 1.96345052170041 873565 CC1=CC=C(O1)C(=O)NCC2=CC(=C(C=C2)Cl)Cl 1 3.491 1 2 -3.86931627786394 873559 CCCN1C2=CC=CC=C2C3=NC4=CC=CC=C4N=C31 1 4.493 3 0 -2.62350533239602 873555 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)NC2=CC=CC=C2)OC 1 2.119 2 5 0 -11.0016232543004 873549 CC1=CC(=NC(=C1)NC(=O)/C=C/C2=CC=CS2)C 1 3.193 2 1 -5.79703016483292 873539 CC1=CC=C(C=C1)NC=C2C(=O)CC(CC2=O)C3=CC=C(C=C3)Cl 1 4 1 2 -6.07679937763257 873538 C1CCC(C1)C(=O)NC2=CC=CC=C2C(F)(F)F 1 3.562 1 1 0.677262652260684 873535 CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=C(C=C3)OC)OC 1 2.892 1 4 -9.46566388748293 873533 CC(=NO)C1=CC2=C(C=C1)C3=C(N2)CCCC3 1 3.313 2 1 4.71192883120535 873524 CC1=C(C(=NC(=S)N1C2=CC=C(C=C2)[N+](=O)[O-])SC)C(=O)C 1 3.854 3 3 -7.58875024276487 873523 CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC(=O)C)C(=O)C 1 1.353 3 2 0 -0.256996879757152 873519 CC1=CC(=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC=NC=C3)C)C 1 3.672 4 1 -5.13860629192237 873518 CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC=NC=C3)C 1 3.186 4 1 -5.75829950303917 873517 CC1=CC=CC=C1N2C(=CC(=C2C)C=NNC(=O)C3=CC=NC=C3)C 1 3.186 4 1 -6.72508300781635 873515 CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC(=O)C(C)C)C(=O)C 1 2.482 3 2 -3.67360120967352 873513 CCOC(=O)C1=C(N=C(N=C1N)C(Cl)(Cl)Cl)C 1 1.964 3 2 0 -4.03174110586971 873512 CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCCCC3)C(=O)C 1 3.877 3 1 -5.57648685085586 873509 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CN=CC=C3 1 1.823 3 2 0 -12.4044424522342 873501 C1=CC(=CC(=C1)Cl)NC(=O)CSC(=O)N 1 1.67 2 2 0 -3.67642784718315 873499 CCC(=NNC(=O)C1=C(C2=C(N1)C=CC(=C2)C)C3=CC=CC=C3)C 1 4.246 3 1 -4.5053159781808 873498 CC1=CC(=CC(=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC=NC=C3)C)C 1 3.672 4 1 -5.48638492594667 873495 CC1=C(C=C(C=C1)NC(=O)CSC(=O)N)Cl 1 2.156 2 2 -5.99344124997987 873479 CCOC1=CC=C(C=C1)C2=NNC(=S)O2 1 2.875 2 2 -4.73235725992394 873475 C1=CC(=CC=C1NC(=O)CSC(=O)N)Cl 1 1.67 2 2 0 -4.60329841330178 873469 CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC=NC=C3)C)C 1 3.672 4 1 -5.00645638063699 873468 CC(C)CCN(C)C1=CC=C(C=C1)C=NN2C=NN=C2 1 2.787 5 0 -2.60543954884432 873464 CC1=C(C(=NC(=S)N1CC=C)N2CCOCC2)C(=O)C 1 1.593 3 2 0 -12.6576794570469 873462 C1=CC(=C(C=C1NC(=O)CSC(=O)N)Cl)Cl 1 2.334 2 2 -4.80520841067518 873457 CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC(=O)CC3=CC=CC=C3)C(=O)C 1 3.052 3 2 -2.303996494491 873454 CCOC(=O)C1=C(N=C(N=C1NC(=O)C)C2=CC=CC=C2)C 1 1.817 3 3 0 -1.94175397751921 873446 CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)C=NNC(=O)C3=CC=NC=C3)C 1 3.672 4 1 -6.09303339815309 873445 CC1=C(C(=NC(=S)N1CC=C)N2CCCC2)C(=O)C 1 2.366 3 1 -10.714124820166 873444 CC1=CC=C(C=C1)N2C=NC3=C(C2=O)C(=C(S3)C)C 1 3.437 2 1 -7.17290938720465 873436 CCSC1=NN=CN1N=CC2=CC(=C(C=C2)OC)OC 1 2.444 4 2 -8.865976762038 873426 CC1=C(C=CC(=C1)Br)NC(=O)C2=CC=CC=C2OC 1 3.832 1 2 -8.13893497648272 873408 C1CN(CCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CO3 1 1.414 3 5 0 -6.44813615534268 873406 CC1=CC(=O)C=C(N1C2=CC=C(C=C2)Cl)C 1 3.249 1 1 1.51381235508941 873392 C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])F 1 3.042 2 3 -7.58790063731729 873384 CCCC1=NC2=CC=CC=C2N1CC=C 1 3.552 2 0 -3.48645078925646 873378 CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.485 4 2 1.92044272797205 873374 C1CN(CCN1CC2=CC=CC3=CC=CC=C32)N=CC4=CC=CS4 1 3.966 3 0 3.41883924269344 873372 C1=CC=C2C(=C1)C=CC=C2OCC(=O)NNC(=O)C3=CC=CS3 1 2.568 2 3 -10.4697069709446 873365 C1CN(CCN1CC2=CC=C(C=C2)Cl)N=CC3=CN=CC=C3 1 2.618 4 0 6.50939965680426 873364 CC1(CC(CC(N1)(C)C)NC(=O)CC2=CC=C(C=C2)Cl)C 1 2.477 2 1 -11.135716054756 873353 CC(C)CNC=C1C(=O)C2=CC=CC=C2C1=O 1 1.914 1 2 0 -4.97193771585009 873347 CCC(=O)NC1=NC(=NC(=C1C(=O)C)C)C 1 0.355 3 2 0 -7.54448920371366 873340 C1=CC=C2C(=C1)C=CC=C2OCC(=O)NCC3=CN=CC=C3 1 2.214 2 2 -10.8557177883974 873338 COC1=CC(=C(C=C1)C=C(C#N)C#N)CSC2=CC=CC=N2 1 3.513 3 1 -5.0903054278788 873297 CC1=CC=C(O1)/C=C\2/C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F 1 2.4 2 4 -0.928757306749763 873296 C1=COC(=C1)/C=C/C=C\2/C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F 1 2.722 2 4 2.82574960330874 873224 C1=CC(=CC=C1C=NN2C=NNC2=S)[N+](=O)[O-] 1 1.898 5 2 0 -5.481411332693 873222 CC1=CC2=C(C=C1C)N(C3=NCCCN23)CC4=CC=C(C=C4)Cl 1 4.466 3 0 -3.46170460791225 873196 C1=CC(=CC=C1C=NN2C=NNC2=S)Br 1 2.752 4 0 -2.61022453693667 873166 COC1=C(C=C(C=C1)C2(CCCCC2)C(=O)N)OC 1 2.71 1 3 -7.28976181788935 873147 CCC(=O)NC1=NC2=C(C=CC=C2S1)OCC 1 2.575 2 2 -7.03702122022175 873142 COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=N2)[N+](=O)[O-] 1 1.564 3 4 0 -14.3867884550605 873141 CCOC1=C(C=C(C=C1)C=NNC(=O)CSC2=CC=CC=N2)O 1 2.555 3 3 -8.75969437556955 873122 COC1=CC(=CC(=C1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)OC 1 4.2 1 3 -13.9462599871378 873120 COC1=CC(=C(C=C1)C(=O)CC2=CC(=C(C=C2)OC)OC)OC 1 3.203 0 5 -4.3795205930684 873118 C=CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CO3 1 2.889 3 2 -7.05254929634297 873112 C1=CC=C2C(=C1)C=CC(=N2)NCC3=CC=CC=N3 1 2.539 3 0 3.22004956701654 873105 CC(=O)CCC1=C(C2=CC=CC=C2O1)C3=CC=CC=C3 1 3.743 0 2 0.229167751694181 873101 C1CCCCCC(=NNC(=O)CC#N)CCCCC1 1 3.54 3 1 -14.1357455935443 873068 CCOC(=O)C1=CC=C(C=C1)NCC2=NC3=CC=CC=C3N2C 1 3.341 3 2 -4.79092758175421 873067 COC1=C(C=C(C=C1)C(=O)NC2=CC=NC=C2)[N+](=O)[O-] 1 1.342 3 4 0 -9.71366716273226 873063 C1=CSC(=C1)C2=NC(=NO2)CC3=CC=C(C=C3)Cl 1 3.797 2 1 -1.78063340503308 873062 CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)Cl 1 4.686 1 1 -2.53016459593176 873059 CN1C2=CC=CC=C2N=C1CNC3=CC=CC=C3O 1 2.894 3 1 5.57362128224491 873035 CCOC(=O)C1=CC=C(C=C1)N=CC2=NC3=CC=CC=C3N2C 1 3.758 3 2 4.76100127774423 873023 CC1=CC=C(O1)C2=C(C(=NC3=C2CCCCCC3)N)C#N 1 3.842 3 1 -1.9786526078686 873016 COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=NC=CN=C3C=C2 1 1.934 3 3 0 -6.16399423837679 873011 CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C 1 2.478 1 3 -5.00972653189025 873004 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)OC3=CC=CC=C3 1 2.422 1 4 -15.3904505703349 873000 C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=CC=N3 1 2.964 3 0 9.26387666481886 872991 CC(=O)NC1=NC2=CC=CC=C2N1CC3=CC=CC=C3Cl 1 3.461 3 1 -6.36423426765448 872988 C1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)N3CCOCC3 1 9.1e-002 2 4 0 -14.2914482228946 872966 C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=CC=N3 1 1.81 3 1 0 -11.3301371688598 872951 CC(=O)C1=CN(C(=O)C2=CC=CC=C21)C 1 0.623 1 2 0 -9.22441848379058 872908 CC(=NNC(=O)CSC1=NC=CC=N1)C2=CC3=C(C=C2)OCCO3 1 1.585 4 3 0 -13.2295569567989 872867 CC(=NNC(=O)C1=CC(=CC=C1)Br)C2=CN=CC=C2 1 2.261 3 1 -6.83556348245047 872872 C1=CC=C(C(=C1)C(=O)NNC2=NC3=CC=CC=C3S2)F 1 2.83 3 1 -1.97893302853285 872893 CC(=NNC(=O)CC1=CC=CC=C1)C2=CN=CC=C2 1 1.548 3 1 0 -7.63603767344666 872878 CC(=NNC(=O)C1=C(C=CC(=C1)Br)O)C2=CC=CC=N2 1 2.448 3 2 1.08105800797341 872858 CC(=NNC(=O)C1=CC=CC=C1Cl)CN2N=C(N=N2)[N+](=O)[O-] 1 1.641 7 3 0 -9.81736010196617 872849 CC(=O)NNC1=NC2=CC=CC=C2S1 1 0.96 3 1 0 1.05836618182575 872845 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC(=O)N 1 3.072 3 1 -11.4519952056406 872841 CC(=NNC(=O)C1=C(C=C(C=C1)O)O)C2=CN=CC=C2 1 1.029 3 3 0 -1.96787425882134 872838 C1=CC=NC(=C1)C=NNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.52 4 3 0 -1.84505321342888 872831 CC(=NNC(=O)C1=CC=CC=C1F)C2=CC=CC=N2 1 2.147 3 1 -7.26887516744241 872830 CC(C)CC1=NC(=C(C=C1)C#N)SCC(=O)N 1 2.15 3 1 -11.0823428220891 872829 CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)OC 1 3.198 2 2 -3.34578311800981 872827 CC(=NNC(=O)CC1=CC=C(C=C1)Cl)C2=CC=CC=N2 1 2.641 3 1 -2.74679069573662 872818 CC(=NNC(=O)C1=CC=C(C=C1)Br)C2=CN=CC=C2 1 2.261 3 1 -7.25945153156073 872813 CC(=NNC(=O)C1=CC(=CC=C1)Br)C2=CC=CC=N2 1 2.69 3 1 -5.39209641197006 872811 CC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCCC3)N)C#N 1 4.331 3 0 -1.23849734619054 872810 C1=CC(=CC=C1N2C(=O)C=CC2=O)SC3=CC=C(C=C3)[N+](=O)[O-] 1 3.401 2 4 1.60601426103811 872798 CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=CC=C3F 1 2.885 3 1 -4.65525107952223 872795 C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=CO2)/C#N 1 2.323 2 2 -14.7925303416774 872785 C1=CC=NC(=C1)C=NNC(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.29 3 1 -2.00560540814003 872783 C1=CC=C2C(=C1)C(=O)N(C2=O)NC(=O)C3=CC=NC=C3 1 0.545 3 3 0 -7.59343303830422 872782 C1=CC=C(C=C1)CC(=O)OCC(=O)C2=CC=CC=C2 1 2.976 0 3 -11.0116428763247 872778 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3 1 3.352 2 2 -7.77158939286641 872774 CC(=NNC(=O)CC1=CC(=C(C=C1)OC)OC)C2=CN=CC=C2 1 1.515 3 3 0 -11.1136314707796 872761 CC(=NNC(=O)CC1=CC=C(C=C1)Cl)C2=CN=CC=C2 1 2.212 3 1 -4.90182985155546 872748 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(C)(C)C 1 2.258 4 1 -20.1205519043754 872730 C1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)COC3=CC=CC=C3 1 2.684 3 3 -11.0593915924428 872726 CC(=NNC(=O)C1=CC(=CC=C1)Cl)CN2N=C(N=N2)[N+](=O)[O-] 1 1.641 7 3 0 -7.17332828968501 872722 C1=CC=C2C(=C1)C(=CN2)CC(=O)NN=CC3=CC(=CC=C3)F 1 3.217 3 1 -4.17263567864488 872721 CC1=C(C=CC=C1NC(=O)C2=CC=CS2)NC(=O)C3=CC=CS3 1 3.792 2 2 -4.947496871775 872713 C1CC1C(=O)NNC2=NC3=CC=CC=C3S2 1 1.718 3 1 0 -1.74145045012378 872711 CC(C)CC(=O)NC1=NN=C(S1)CCC2=CC=CC=C2 1 3.215 3 1 -15.0054885096637 872693 CC(=C1C(=O)C2=CC=CC=C2C1=O)NC3CCCCC3 1 3.095 1 2 -3.79949746242219 872688 CC(=NNC(=O)CC1=CC(=C(C=C1)OC)OC)C2=CC=CS2 1 2.619 2 3 -12.597883701505 872684 CC1=CC=CC(=C1)C(=O)NN=CC2=CC=C(C=C2)OC3CSC3 1 3.614 2 2 -6.43364073643561 872683 COC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)F)Cl 1 3.376 2 2 -0.763153351617458 872677 CC1(CC(=CC(=O)C1)NCC2=CC(=C(C=C2)Cl)Cl)C 1 3.761 1 1 -11.869164058135 872671 CC(C)CC(=O)NC1=NN=C(S1)C2=CC=CO2 1 2.119 3 2 -10.0859297396979 872669 C1CCC2(CC1)NC3=C(CCCC3=[N+]2[O-])N=O 1 0.982 3 2 0 -3.45508660835585 872665 CCOC1=CC2=C3C(=CC=C4C3=NON4)N=C2C=C1 1 0.667 3 2 0 -4.80736386948622 872647 CCSC1=NC(=O)C(=NN1)C2=CC=CC=C2N 1 1.827 4 1 0 -10.4810920611249 872598 C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C(=O)O 1 1.722 1 6 0 -6.33569640534364 872566 C1=CC=C(C=C1)NC(=O)CSCC2=C(C=CC=C2F)F 1 3.426 1 1 -9.73569889024505 872553 C1CC2=NON=C2C3=NC4=CC=CC=C4N=C31 1 2.089 4 1 -1.22676193008581 872551 CN1C2=C(C(=NO)CCC2)[N+](=C1C3=CC=CC=C3)[O-] 1 1.891 3 2 0 6.4401421693993e-002 872546 CS(=O)(=O)N(CC(=O)O)C1=CC=C(C=C1)OC2=CC=CC=C2 1 1.988 1 5 0 -8.6918726083902 872545 COC1=C(C=C2C(=C1)CCN=C2C3=CC(=CC=C3)[N+](=O)[O-])OC 1 3.43 2 4 -4.76380388914529 872533 CC1=CN(C=N1)S(=O)(=O)C2=CC=C(C=C2)Br 1 2.105 2 2 -4.95994686186057 872528 CN1C2=CC=CC=C2N=C1C=NN3C=NN=C3 1 1.173 6 0 0 4.91212008381479 872523 CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C 1 1.843 2 2 0 -5.51358240167976 872505 CC(=NNC(=O)CN1CCOCC1)C(C)(C)C 1 0.565 3 2 0 -9.74802125886186 872504 COC1=CC=C(C=C1)C2=NCCC3=CC(=C(C=C32)OC)OC 1 3.52 1 3 -2.22387832648707 872501 CSC(=NS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC=CC=C2 1 4.319 1 2 -3.15413510405994 872499 COC(=O)CNC1=NC(=NC(=N1)NC2CCCCC2)Cl 1 2.081 5 2 0 -9.40183910916683 872496 CCC1=NC2=C(N1O)CCC3=NON=C32 1 -0.824 4 2 0 -2.79938998051453 872494 CC1=CC=CC=C1N(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.458 1 3 -5.31031191187546 872481 CC1=CC(=CC=C1)N(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)Cl 1 3.458 1 3 -4.05933440243767 872476 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2 1 3.062 3 3 -11.7429913394168 872463 COC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2 1 4.222 2 2 -7.58541934813928 872451 CC1=CC=C(O1)C(=O)NN=CC2=CC=C(O2)Br 1 2.187 2 3 -6.3565608298147 872450 CCOC1=CC=C(C=C1)N2CC3=CC=CC=C3C2 1 3.661 1 1 0.294038060651221 872410 C1COCCN1C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 1.626 4 1 0 4.28477632788273 872404 C1=CC=C(C=C1)CCNC(=O)CC2=CC=C(C=C2)F 1 3.183 1 1 -8.26644482180468 872403 CC(=O)C1=CC(=CS1)CN2C(=O)CCC2=O 1 0.69 1 3 0 -6.77343989232992 872399 CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2N 1 1.635 2 3 0 -7.51882670713858 872390 CCN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)OCC 1 1.773 2 3 0 -12.0239384849975 872386 CN(C)C1=NC(=C2C=NN(C2=N1)CC3=CC=CC=C3)C4=CC=CC=C4 1 3.693 5 0 -1.26238951717671e-002 872380 C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)F)F 1 3.06 1 1 -4.71522946496216 872379 CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3C 1 3.656 3 3 -11.4271369248923 872375 C1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 3.956 3 1 7.85548006318911 872367 CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.28 2 3 -8.70172463774056 872357 CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 1 1.896 5 0 0 8.85326784660916 872348 C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2F)F 1 3.025 1 1 -5.90351587562463 872346 CC1=CC=CC2=C1N=C(N3C2=NN=N3)C4=CC=CC=C4 1 2.436 5 0 -3.66118585772171 872336 CC1=NC=C(C=C1)CCP(=O)(CN2CCOCC2)O 1 0.455 2 3 0 -6.04028581016662 872330 CCN1C2=C(C=C(C=C2)CC(=O)O)C3=C1C=CC(=C3)CC(=O)O 1 3.207 1 4 0.609461777827095 872326 CCCN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)OCC 1 2.297 2 3 -12.9394520634905 872322 COC1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)OC 1 2.49 2 3 -2.97023321123271 872317 CC(=O)C1=CC(=CS1)CC2=CSC(=C2)C(=O)C 1 3.191 0 2 -2.17968550399512 872314 CN1C2=C(C=C(C=C2)CC(=O)O)C3=C1C=CC(=C3)CC(=O)O 1 2.858 1 4 0.614121000299618 872300 CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3 1 3.008 2 3 -12.1904361611153 872287 CC1=C(C(=CC=C1)C(C)C)N2C(=NN=N2)C3=CC=CC=C3 1 4.322 4 0 -5.43554143307998 872276 C1=CC=C(C(=C1)NC(=O)ON=CC2=CC=C(C=C2)F)Cl 1 3.922 2 2 0.632009079947396 872263 C1CCN(CC1)C2=NC3=NON=C3N=C2N4CCCCC4 1 1.486 6 1 0 -11.8286338661175 872253 C1=CC=C(C=C1)CS(=O)(=O)NC2=CC(=CC=C2)F 1 2.53 1 2 -1.50968129180716 872225 COC1=CC=CC=C1C=NNS(=O)(=O)C2=CC=CC=C2 1 2.369 2 3 -1.77078986519038 872204 C1=CC(=CN=C1)C=NNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl 1 2.091 4 3 0 -3.26927513456741 872174 CC1=CC(=C(C=C1)C)OCC2=NC3=CC=CC=C3N2 1 4.078 2 1 2.57407922117069 872164 CC(C)(C)C(=O)CSC1=NC2=C(N1)C=C(C=C2)OC 1 3.54 2 2 -6.0635242349077 872146 CC1=CC(=NC2=C(C=CC(=C12)OC)OC)N3CCCN(CC3)C 1 2.57 3 2 2.95070971535108 872142 CC1=CC(=NO1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.647 3 4 0 -16.5132689751985 872135 CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)O 1 0.75 1 5 0 -18.6636359009657 872094 COC1=CC(=C(C=C1)C(=O)/C=C(/C(F)(F)F)\N)O 1 1.67 1 3 0 4.24414267998799 872090 CN1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 1.812 2 2 0 -10.4248029291529 872088 C1=CC(=C(C=C1Cl)C(=O)/C=C(/C(Cl)(Cl)Cl)\N)O 1 2.941 1 2 6.02901829156214 872086 C1=CC(=CC(=C1)[N+](=O)[O-])N/C=C/C(=O)C2=CC=CO2 1 2.332 2 4 -1.79010226271583 872077 CC1=C(C=CO1)C(=O)NN=C(C)C2=CC=C(S2)Cl 1 2.325 2 2 -2.60152705618146 872071 CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CC=C3 1 3.226 3 1 -5.65520752080235 872059 CC(=NNC(=O)C1=CC=C(O1)Br)C2=CC=NC=C2 1 1.476 3 2 0 -9.27992804359461 872058 COC(=O)CNC(=O)C1=CC=CC=C1[N+](=O)[O-] 1 0.639 2 5 0 -16.1589090911236 872036 CN1C2=CC=CC=C2N=C1C=NC3=NC4=CC=CC=C4N3 1 3.611 5 0 6.26785610857841 872028 C1C2=CC=CC=C2C3=CC=CC=C3CN1C=O 1 2.356 1 1 -0.219587436429144 872016 CC1=C(C=CC(=C1)NCC2=CC=CC=N2)Br 1 3.521 2 0 -5.02439526380385e-002 872009 CC1(CC2=C(C=C(C(=O)N2C3=CC=CC=C3)C(=O)O)C(=O)C1)C 1 2.073 1 4 -15.8015683123223 872003 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC=CC=N3)[N+](=O)[O-] 1 1.623 4 5 0 -10.998385576821 872002 C1=CC=C(C=C1)CC(=O)NN=CC2=CC=CC=N2 1 1.996 3 1 0 -4.16000720705154 871987 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2OC 1 1.718 2 3 0 -8.92568417262668 871986 CC1(N(CC(=[N+]1[O-])C2=CC=CS2)O)C 1 0.184 2 2 0 -1.07736508441439 871966 C1CC2=CC=CC=C2C(=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C1 1 3.339 3 3 -11.8854647073343 871961 CC1=CC(=C(C=C1)NCC2=CN=CC=C2)Br 1 3.306 2 0 -1.2731102911074 871946 CC1=CC(=NC2=C1C=C(C=C2)F)N3CCCCCC3 1 4.162 2 0 4.74934866949198 871935 C1=CC=C(C=C1)OCC(=O)NC2=NC=CC=N2 1 1.192 3 2 0 -7.07883551505213 871922 CC1=C(C=CC(=C1)Cl)OCC(=O)NC2CCCC2 1 3.426 1 2 -3.18790276626301 871917 C1=CN=CC=C1CNC(=O)C2=CC=C(O2)Br 1 1.434 2 2 0 -8.58427429592517 871915 CC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC=CS2 1 2.342 1 2 -10.0575899598814 871907 CCSC1=NN=C(S1)NC(=O)C2=CC=CS2 1 2.474 3 1 -15.3265324364701 871878 CN1CCN(CC1)NC(=O)C2=CC(=CC=C2)Br 1 1.457 3 1 0 -3.13288467678847 871872 C1=CC(=CN=C1)C(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.632 4 4 0 -5.2952689236501 871871 CN1C2=CC=CC=C2N=C1C=NNC(=O)C3=CC=CC=C3 1 2.811 4 1 -0.937903979617491 871859 C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC(=CC=C2)Cl 1 4.159 2 1 -7.53567204124726 871849 COC1=CC(=C(C=C1)OC)C(=O)NN=CC2=CC=CC=N2 1 1.928 3 3 0 -5.62311036395904 871848 CC1=C(C=C(C=C1)C(=O)NC2=CC=NC=C2)[N+](=O)[O-] 1 1.844 3 3 0 -8.19656949071664 871842 C1=CC=C2C(=C1)C(=C(S2)C(=O)NN=CC3=CC=CC=N3)Cl 1 3.778 3 1 1.80966197719321 871837 C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=CC=N3 1 1.729 3 3 0 -8.80851694026464 871834 CC(C)OC(=O)C1=C(SC2=C1CCCC2)N 1 2.834 1 2 -7.84575951297069 871818 CC(C)(C)CC(C)(C)NC1=CC(=O)OC12CCCCC2 1 3.707 1 2 -7.4392389649971 871808 CCOC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)OC)OC 1 2.914 1 4 -8.51672119683645 871798 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(O2)C 1 2.413 2 3 -1.1556480714374 871793 C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)F)F)C(=O)O 1 3.275 0 3 -2.42897812666888 871785 CC1=CC=C(O1)/C=C/C(=C/C(=O)O)/C 1 2.382 0 3 2.25651027148245 871782 C1COCCN1NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 1.768 2 2 0 -3.49691228508159 871749 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)OC 1 1.718 2 3 0 -8.58638678736432 871734 C1CCC(C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.676 1 3 -8.67289978087277 871726 CN1C2C3N(C1=O)CN(CN3C(=O)N2C)C4CCCCC4 1 1.198 5 2 0 -5.13385894736134 871715 CCOC1=C(C=C(C=C1)C=NNC(=O)C2CC2)OC 1 2.092 2 3 -12.0778044673323 871711 CC1=CC(=NC=N1)SCNC(=O)C2=CC=CC=C2 1 2.253 3 1 -5.289852925385 871700 CC1=CC(=NC2=C(C=CC(=C12)OC)OC)N3CCCCCC3 1 3.924 2 2 -0.226481892384917 871690 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2N=CC4=CC=CS4 1 4.58 3 0 -1.7748242196609 871681 C1=CC=C2C(=C1)C(=CN2)C(=O)NN=CC3=CC=CC=N3 1 2.254 4 1 -0.39807497504299 871656 C1=CC=C(C=C1)C(=O)NN=C2C(=O)C3=CC=CC=C3C2=O 1 2.26 2 3 -4.77437041485109 871639 C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3 1 2.583 2 2 -12.7450421289661 871637 C1=CC(=CC=C1CC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F)F 1 4.21 2 1 1.27740157560048 871615 CCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C 1 3.007 3 1 -14.698582812125 871614 C1=CC=C(C=C1)CNC(=O)NC(=O)C2=CC=CC=C2F 1 2.607 2 2 -9.07562500697962 871601 C1=CC(=C(C=C1Cl)Cl)C(=NO)CN 1 2.004 2 1 5.74858420856707 871600 COC1=C(C=C(C=C1)C(=O)NNC(=S)NC2CCCCC2)OC 1 3.245 3 3 -14.091796538102 871593 C1COCCN1CCNC(=O)/C=C/C2=CC=CC=C2Cl 1 1.996 2 2 0 -7.05260241373294 871557 C1=CC=C(C=C1)CNC(=O)NC(=O)C2=CC=NC=C2 1 1.25 3 2 0 -8.61705507102808 871538 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC=CC=N3)Br 1 2.477 3 3 -7.97005274854831 871516 CC1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)O)N 1 2.749 2 2 -0.89501030189742 871513 COC1=C(C=C(C(=C1)CNCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC 1 2.58 2 6 0 -3.32618068981091 871509 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.422 2 2 -9.28626462198932 871491 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=CC=N2)C 1 2.304 3 3 -14.474784120892 871490 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2CC2 1 2.636 3 1 -11.2367178512516 871478 C1=CC=C(C=C1)C2=NNC(=C2)C(C(F)F)(F)F 1 3.451 2 0 3.35091865823996 871476 CC1=CC=C(C=C1)NC(=O)CC(=O)NCCN2CCOCC2 1 0.651 3 3 0 -10.3358410867573 871461 CCOC(=O)COC1=CC=C(C=C1)CCNC(=O)C 1 1.317 1 4 0 -12.8641085664372 871453 CN1C2=CC=CC=C2N=C1N=CC3=CC=CS3 1 2.996 3 0 3.3158625263107 871395 CCOC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl 1 3.87 2 2 1.78154410681247e-002 871391 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NN2CCOCC2 1 0.82 3 4 0 -9.24525178090756 871389 CC(=NNC(=O)C1=CN=CC=C1)/C=C/C2=CC=CO2 1 1.366 3 2 0 -7.01305191549179 871385 COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 4.205 1 2 -1.30281780611453 871371 CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CC=NC=C2 1 1.407 4 3 0 -11.1102321300471 871370 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=N2 1 2.821 4 1 -12.084923803031 871369 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2 1 2.064 1 3 -7.80498785334791 871355 CCCN1C2=CC=CC=C2N=C1N=CC3=CC4=C(C=C3)OCO4 1 3.684 3 2 0.475467601450105 871349 CC1=CC=C(C=C1)NCC(=O)NN=CC2=CC=C(C=C2)SC 1 3.371 3 1 -6.24253994182381 871345 C1CC1C(=O)NN=CC2=CC=CC=C2Cl 1 2.441 2 1 -4.52349280098562 871334 C1=CC(=CC=C1NC(=O)CN)Br 1 0.737 2 1 0 -3.95350965668905 871326 COC1=CC(=CC(=C1)CNCC2=CC=CC3=CC=CC=C32)OC 1 3.826 1 2 2.83406133435321 871325 C1=CC=C(C=C1)C(=O)NN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 1.325 2 5 0 -11.4829681239349 871284 COC1=CC=CC(=C1OC)CNCC2=CC=CC=N2 1 1.982 2 2 0 0.439738518291737 871273 CC1=CC=C(O1)C=NNC(=O)C2=CNC3=CC=CC=C32 1 2.517 3 2 -1.96725527804262 871264 CC1=CC(=CC(=C1)NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C 1 3.857 2 4 -1.69367042651747 871259 CC1=C(SC(=C1C#N)NC(=O)COC2=CC=CC=C2)C 1 2.747 2 2 -12.9774608347013 871256 C1=CC=C(C=C1)CCC(=O)NCC2=CC=NC=C2 1 1.962 2 1 0 -13.0923324512386 871248 CC1=C(N2C=CC=CC2=N1)C(=O)NN=CC3=CC=CC=C3[N+](=O)[O-] 1 2.029 5 3 0 -6.69278357876465 871246 C1=CC=C(C(=C1)C=NNC(=O)CO)F 1 0.552 2 2 0 -2.61034452364296 871240 C1COCCN1NC(=O)C2=CC(=CC=C2)Br 1 1.188 2 2 0 -7.24465696781359 871238 CC1=C(C(=CC=C1)NS(=O)(=O)CC2=CC=CC=C2)C 1 3.296 1 2 -4.09649824776079 871225 C1=CC=C(C=C1)CCC(=O)NC2=NN=CS2 1 1.579 3 1 0 -11.3076468783123 871221 CCC1=NN=C(S1)NC(=O)C2=CC=CC=C2OCC 1 2.348 3 2 -14.2630254183496 871208 CC1=CC=CC=C1CNC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 3.586 2 3 -2.81381364635986 871201 CCC1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)Cl 1 2.588 4 1 -8.65143239259132 871192 COC1=C(C(=C(C=C1)C=NNC(=O)C2CC2)OC)OC 1 1.727 2 4 0 -7.0409771618143 871185 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C3=CC=CC=C32)O 1 2.967 1 4 0.348258717385993 871154 CC(=O)NC1=NC(=NC(=N1)C2=CC=CC=C2OC(=O)C)C3=CC=CC=C3 1 2.594 4 3 0 -0.723606815033537 871145 COC1=CC=C(C=C1)C(=O)NC(=S)N2CCCCC2 1 3.348 2 2 -12.4119196135754 871142 COC1=C(C=C(C=C1)CCNC(=O)C2CC2)OC 1 2.003 1 3 -14.7688682777578 871111 C1=CC(=CN=C1)C=NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.461 4 3 0 -6.6953990137553 871101 CC1(C(=[N+](C(N1O)(C)C)[O-])C2=CC=CC=N2)C 1 0.304 3 2 0 -0.399487401576836 871065 CC(=NNC(=O)C1=CC=NC=C1)/C=C/C2=CC3=C(C=C2)OCO3 1 1.739 3 3 0 -6.74939362187236 871062 CN1CCN(CC1)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.038 3 1 0.614860005943525 871060 CC1(C(=NC(N1O)(C)C)C2=CC=CC=N2)C 1 1.233 3 1 0 2.92482087032899 871057 C1=CC(=C(C=C1Cl)Cl)OCC(=O)NC2=NC=C(C=C2)Cl 1 3.831 2 2 -3.36960334559129 871055 COC1=C(C=C(C=C1)CCNC(=O)CCC2=CC=CC=C2)OC 1 3.401 1 3 -16.38785542611 871051 COC1=CC=CC(=C1OC)C=NNS(=O)(=O)C2=CC=CC=C2 1 2.353 2 4 -2.17272842443363 871046 CC1=C(SC(=NS(=O)(=O)C2=CC=CC=C2)N1C)C(C)(C)C 1 3.558 2 2 -5.75343400798922 871044 CC1=CC=C(C=C1)C(=O)NC2=NC=NN2 1 1.402 4 1 0 -7.29298733960475 871034 CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C 1 4.371 2 2 -2.33814366780571 871032 CC1=C(C=CS1)C=NNC(=O)C2=CC=CO2 1 1.886 2 2 0 -5.05128329636872 871009 C1COCCN1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 2.572 3 2 -8.24307170005903 871000 CC(=NN=C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CS3 1 5.073 2 0 -4.23103037673355 870994 CC(=NNC(=O)C1=CC=C(C=C1)C(C)(C)C)C2=CN=CC=C2 1 2.913 3 1 -5.04665632793481 870989 C1=CSC(=C1)C=NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.565 3 3 -8.05470526264036 870979 C1CN(C2=CC=CC=C21)S(=O)(=O)CC3=CC=CC=C3 1 2.605 1 2 -13.6471736046619 870973 C1COCCN1NC(=O)C2=CC(=CC=C2)F 1 0.645 2 2 0 -6.861994169047 870960 CC1(C(=[N+](CN1C)[O-])C2=CC=CC=C2)C 1 1.504 2 1 0 0.208269959682855 870959 CC(=NNC(=O)C1=CC=NC=C1)/C=C/C2=CC=CC=C2 1 1.971 3 1 0 -5.25456381704397 870952 C/C(=C/C(=O)O)/C(=C/C1=CC=CC=C1)/C(=O)O 1 2.431 0 4 0.704047289329512 870948 CC1=CC(=NC2=C1C=CC=C2OC)N3CCCCCC3 1 3.94 2 1 2.20921703116995 870942 CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4 1 3.494 2 3 -3.51970499044117 870929 CC1=CC=CC=C1OCC(=O)NN=CC2=CN(C3=CC=CC=C32)C 1 3.504 3 2 -2.8151555936094 870916 CC1=CC(=NC2=C(C=CC(=C12)OC)OC)NCCN3CCOCC3 1 2.171 3 3 -0.691289813645741 870915 CC(C)C1=CC=CC=C1NC(=O)C2=NC=CN=C2 1 1.936 3 1 0 -8.17216075806135 870911 C1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 3.303 1 5 -9.41828957056373 870903 CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CS2 1 2.511 3 3 -12.9035232894717 870893 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2=CC=CS2 1 3.225 1 3 -16.5874819239647 870884 CC1=C(C=C(C=C1)C(=NNC(=O)C2CC2)C)C 1 2.729 2 1 -7.00672228588739 870877 COC1=CC=C(C=C1)CNC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 3.083 2 4 -2.51733252490243 870844 C1COCCN1NC(=O)C2=CC=C(C=C2)Br 1 1.188 2 2 0 -7.32118833685097 870829 C1COCCN1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 0.334 3 4 0 -9.78092506969358 870824 C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CN=CC=C3)Cl 1 1.965 3 3 0 -5.38124429275822 870819 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NC=CN=C3 1 1 4 1 0 -5.85282453452043 870817 CC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NN=CC3=CC=CC=C3OC 1 2.783 4 2 -3.20787517802769 870804 CC1(CC(=O)C(=CNC2=CC3=C(C=C2)NN=C3)C(=O)C1)C 1 1.667 3 2 0 -10.5738640650766 870803 CC1=NC(=CC=C1)NC=C2C(=O)CC(CC2=O)(C)C 1 1.694 2 2 0 -7.34434699925658 870802 CC1(CC(=O)C(=CNC2=CC3=C(C=C2)C=NN3)C(=O)C1)C 1 1.667 3 2 0 -10.1212315515145 870796 CC1(CC(=O)C(=CN2CCN(CC2)C(=O)C3=CC=CO3)C(=O)C1)C 1 0.981 2 4 0 -10.7073837578683 870761 CCN(CC1=CC=CC=C1)CC2=C(C=CC=C2F)F 1 4.246 1 0 2.53272194701446 870760 CN(CC1=CC=CC=C1)CC2=C(C=CC=C2F)F 1 3.898 1 0 4.00701354016785 870755 C1=CC=C(C=C1)C(=O)/C=C/SC2=CC=CC=C2 1 3.776 0 1 1.61442783479166 870743 C1CC2=C(C=CS2)NC(=O)C1 1 1.263 1 1 0 -8.05352254007553 870734 CC1(CC(=O)NCC(N1O)(C)C)C 1 1.7e-002 2 2 0 -5.87153433782606 870729 C1=CC=C(C=C1)N2C=CC=C2C=NO 1 2.824 2 1 4.25407365929627 870722 C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Br 1 3.277 1 2 -7.95469652480618 870721 C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)Cl)Br 1 2.047 1 3 -9.91287924625591 870720 C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N3C4=CC=CC=C4N=N3 1 3.7 3 2 -6.20992766817455 870686 CCC1(C(=O)C2=CC=CC=C2C1=O)N(C3=CC=C(C=C3)OC)C(=O)C 1 3.005 1 4 -3.9951490748597 870646 C1C(=O)N/C(=C\C(=O)C2=CC=CC=C2)/S1 1 1.687 1 2 0 -6.31760618063201 870631 CSC1=NC2(CCCCC2)C3=C(N1)CCCC3 1 3.872 2 0 -5.34207190717063 870618 C1=CC=C(C=C1)/C=C(/C=NNC(=O)C2=CN=CC=C2)\Br 1 2.345 3 1 -9.92286879695261 870599 CC1(CC2=CC=CC=C2C3=NNC(=S)N31)C 1 2.759 3 0 -4.69280982508104 870548 C1OC2=CC=CC=C2C(=O)C3=CC=CC=C3O1 1 3.002 0 3 0.207024009382847 870543 CN1C=C(C=CC1=O)C(=O)NN=CC2=C(C(=CC=C2)OC)OC 1 0.662 3 4 0 -8.0075356354332 870541 CC(C)(C)C(=O)CC(=O)NC1=CC(=C(C=C1)Cl)N 1 2.325 2 2 -4.6943037030123 870538 CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)OCC(=O)C2=CC=CC=C2 1 3.157 1 6 0 -13.3108259422134 870529 C=CC(=O)OC1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O 1 3.039 1 3 -9.25107536823298 870509 COC1=CC=C(C=C1)COC(=O)NNC(=O)C2=CC=CC=C2Cl 1 3.082 2 4 -5.9749303347895 870501 CC1=CC=C(O1)C2=NC(=C(C(=C2)C3=CC=CC=C3Cl)C#N)N 1 4.021 3 1 6.51323233114124e-002 870500 C1=COC(=C1)C(=O)NNC(=O)CC2=CC=C(C=C2)Cl 1 1.965 2 3 0 -5.93475635077642 870497 C1=CC=C(C(=C1)OCC2=NC(=NO2)C3=CC=CC=N3)Cl 1 2.922 3 2 1.15341972050602 870495 C1OC2=C(O1)C=C(C=C2)NC(=O)COC3=CC=CC=C3Cl 1 2.882 1 4 -7.90238450942893 870485 C1=CC(=CC=C1C(=O)NNC(=O)C2=C(C=C(C=C2)O)O)Cl 1 2.051 2 4 1.63975556064064 870479 CC1=C(C=CC(=C1)Cl)OCC2=NC(=NO2)C3=CC=NC=C3 1 2.98 3 2 7.43058394654276 870477 C1=C(OC(=C1)C2=CC(=CC(=C2)Cl)Cl)C=NNC(=S)N 1 4.333 3 1 1.54729094752623 870407 CCCN1C2=CC=CC=C2N=C1NCC3=CC=CS3 1 3.625 3 0 -6.73287451627955 870404 CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=O)C2=CN=CC=C2 1 1.706 3 3 0 -6.558816678866 870393 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 3.56 2 2 -2.38290706374175 870389 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC(=CC=C2)Cl)C 1 2.442 2 1 -9.29635409186619 870388 CC1=C(C(=O)C2=C(N1)C=CC(=C2)NC(=O)C)CC=C(Cl)Cl 1 2.556 2 2 -10.6625221486689 870385 C1CC2=C(C1)N=C3C(=CNN3C2=O)C4=CC=CC5=CC=CC=C54 1 2.3 3 1 -2.14783778954517 870380 CC1=CC2=C(C=C1)NC(=C(C2=O)CC=C)C 1 3.181 1 1 -6.64785070066735 870377 CC1=C(C2=NC3=C(CCC3)C(=O)N2N1)C4=CC=CC5=CC=CC=C54 1 2.814 3 1 -4.37800647830934 870370 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=CC=C3)Cl 1 2.926 3 1 1.02472457687596 870369 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.284 2 5 0 -12.1956544535113 870365 CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=O)C2=CC=CS2 1 2.81 2 3 -6.61220473328521 870364 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NNC(=O)C3=CC=CC=C3Cl 1 3.202 2 3 -2.719463588774 870347 COC1=C(C=C(C=C1)CC2=NOC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])OC 1 3.041 3 5 0 -7.32954189935417 870346 CC1=CC=CC(=C1O)C(=O)NNC(=O)C2=CC=C(C=C2)Cl 1 2.78 2 3 -1.11062525264947 870343 CC1=CC=CC(=C1O)C(=O)NNC(=O)C2=CC=CO2 1 1.511 2 4 0 -3.14286310514713 870312 CC(=O)N(C)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2 1 3.693 3 1 -8.13693256492805 870298 C1COCCN1CCNC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 1.226 3 4 0 -11.1290636060823 870284 CC1=CC(=NC2=C1C=CC(=C2)Cl)N3CCCN(CC3)C 1 3.267 3 0 9.73052346384632 870255 C1=CC(=CC(=C1)Cl)NC(=O)ON=CC2=CC=NC=C2 1 2.566 3 2 3.49783243095413 870241 C1=CC=NC(=C1)CNS(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)NC4=O 1 1.252 3 3 0 -16.3135340567703 870240 CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CS3 1 4.319 1 3 -18.000202060085 870239 COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2)OC 1 1.141 2 4 0 -7.77646894710859 870220 C1COCCN1NC(=O)C2=CC=C(C=C2)Cl 1 1.104 2 2 0 -5.86452859174954 870214 CC1=CC=C(S1)C2=NC3=CC=CC=C3N2 1 3.369 2 0 4.95917700577302 870196 CC1=CC(=C(C2=C1N=C(C=C2NC3=CC=CC=C3)C)[N+](=O)[O-])C 1 4.715 3 2 3.38795442357729 870187 CC1=NC2=CC=CC=C2C(=O)N1C3=NC=C(C=C3)Br 1 2.748 3 1 -7.0398894571337 870180 COC1=CC=C(C=C1)NC(=O)CC2=NC3=CC=CC=C3N2 1 2.555 3 2 -4.61498423993949 870166 CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)O 1 1.229 1 4 0 -11.5814089059555 870163 C1CC2=NC(=CN2C1)SCC3=CC=CC=C3Cl 1 3.768 2 0 -7.29757477082377 870150 CN1CCN(CC1)N=CC2=CC(=C(C=C2)OC)O 1 1.262 3 2 0 5.29151140800965 870141 C/C(=C(\C#N)/C(=O)NCC1=CC=CC=C1)/N(C)C 1 1.464 3 1 0 -15.5455109221696 870116 C/C(=C(\C#N)/C(=O)NCC1=CC=CC=C1)/NCC2=CC=CC=C2 1 2.512 3 1 -14.9127567405739 870088 C/C(=C(\C#N)/C(=O)NC1CCCCC1)/N(C)C 1 1.739 3 1 0 -13.3643912418081 870081 CN(C)/C=C/C1=C(C(=O)N=CN1CC(=O)OC)C#N 1 -0.835 4 3 0 -7.2760567380698 870065 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(OC=C2)C 1 1.31 2 4 0 -8.68515251250441 870056 CC1=C2C3=C(C=C1)N=CN(C3=CC(=N2)C)C4=CC=CC=C4 1 3.616 3 0 1.04745762765381 870049 CC1=C(SC=C1)C=NN2CCN(CC2)CC3=CC=CC=C3 1 3.544 3 0 3.14506051959162 870040 CCOC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C 1 2.145 2 3 -11.4466530952937 870039 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=CC=C3 1 2.4 1 3 -7.94383334091579 870008 C/C(=C(\C#N)/C(=O)N)/NCCN1CCOCC1 1 -1.035 4 2 0 -15.0712061306929 870003 CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=CO3 1 3.247 4 2 -1.04748152689604 869996 CN1CCN(CC1)N=CC2=CC(=C(C=C2)OC)OC 1 1.488 3 2 0 -1.50991164065396 869900 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCCCCC3 1 3.163 2 2 -8.44079973189298 869896 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F 1 3.072 3 1 3.71344328899798 869895 C1CCC(C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 1 4.285 3 0 4.94381892078723 869890 CC(C)(CN1CCOCC1)NS(=O)(=O)C2=CC=CC=C2 1 1.149 2 3 0 -10.4945437297538 869886 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)/C=C/C(=O)O 1 2.712 1 3 1.06031735557167 869878 C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] 1 1.189 3 4 0 -3.94148365090697 869876 C1CC(=O)C=C1NCC2=CC(=C(C=C2)Cl)Cl 1 2.847 1 1 -5.15729226067821 869874 CCOC1=CC=CC=C1C(=O)NN=CC2=CC=CC3=C2N=CC=C3 1 3.202 3 2 -6.19716807828409 869848 CC1=CC=CC=C1OCC(=O)NN=CC2=CC=CC3=C2N=CC=C3 1 3.191 3 2 -4.29442675876328 869844 CC1=NN=C2N1N=C(C=C2)N3CCN(CC3)C 1 0.152 6 0 0 -0.777696727381223 869840 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2=NNC(=O)C=C2 1 0.723 4 5 0 -16.7786511992856 869832 C1=CC(=CC=C1[N+](=O)[O-])OC2=CC3=C(C=C2)C(=O)N(C3=O)CC(=O)O 1 1.798 2 7 0 -8.17027106795378 869831 CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=CN=CC=C3 1 2.868 3 1 5.08071426003461 869807 C1=CC2=C(C(=C1)C=NNC(=O)COC3=CC=C(C=C3)F)N=CC=C2 1 2.91 3 2 -3.56201276631705 869802 CCOC(=O)CN1C2=CC=CC=C2N=C1C3=CC=CC=N3 1 2.81 3 2 -4.81504949400621 869793 CC1CCN(CC1)C2=NC3=CC=CC=C3N=C2C 1 2.827 3 0 0.548731084884904 869791 C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)N)C3=CC=CC=C3 1 2.982 5 1 5.64874700152809 869786 CC1=CC=C(C=C1)OCC(=O)NN=CC2=CC=CC3=C2N=CC=C3 1 3.191 3 2 -4.2738897917823 869785 CC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)F)C(=O)O 1 2.936 1 3 -4.88941754634978 869766 C1=CC(=CC=C1C=NNC(=O)CSC2=NC=NN2)F 1 1.584 5 1 0 -12.246945714216 869765 COC1=C(C=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)NN)OC 1 3.071 4 2 3.34467482102522 869759 CC1=CC(=C(C=C1)OC(=O)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 2.322 1 6 0 -10.5825187137097 869741 CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=CC=C2)C 1 2.923 1 3 -15.0752232051029 869724 CC1=NN=C2N1N=C(C=C2)OC3=CC=C(C=C3)C(=O)OC 1 2.068 4 3 0 -7.69682060378588 869720 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 2.82 4 3 0 -1.68917761239422 869712 COC1=CC=CC=C1OCC(=O)NN=CC2=CC=CC3=C2N=CC=C3 1 2.688 3 3 -8.2548893116241 869638 C1=CC(=CC=C1C=NNC(=O)CSC2=NC=NN2)C(F)(F)F 1 2.32 5 1 -9.36305585234894 869642 COC1=CC=C(C=C1)OCC(=O)NN=CC2=CC=CC3=C2N=CC=C3 1 2.688 3 3 -4.832132572126 869650 CC1=C(C=CO1)C(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.032 3 5 0 -2.45186499197104 869652 C1=CC=C(C=C1)OCC(=O)NN=CC2=CC=CC3=C2N=CC=C3 1 2.705 3 2 -4.85951803027588 869658 CC1=NC2=CC=CC=C2N=C1NC3=CC=C(C=C3)OC 1 3.012 3 1 1.56787228767609 869664 COC1=CC=C(C=C1)N(CC=C)C(=O)C2=CC=CC=C2 1 3.421 1 2 -9.61939131967356 869691 CCOC1=CC=C(C=C1)C(=O)NN=CC2=CC=CC3=C2N=CC=C3 1 3.202 3 2 -5.20591436592454 869690 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C3=NC4=CC=CC=C4O3 1 2.44 2 3 3.32251041794604 869668 C1=CC2=C(C(=C1)C=NNC(=O)COC3=CC=C(C=C3)Cl)N=CC=C2 1 3.369 3 2 -2.45189110119548 869636 CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O 1 1.364 2 4 0 -11.0508047363316 869626 CC1=NN=C2N1N=C(C=C2)N3CCOCC3 1 -0.118 5 1 0 -5.34618824610765 869610 COC1=CC(=CC(=C1)NC(=O)CC2=CC=CS2)OC 1 2.57 1 3 -10.6757512158236 869594 CC1=NN=C2N1N=C(C=C2)N3CCCCC3 1 1.112 5 0 0 -3.75710212339488 869589 C1=CC(=CC=C1/C=[N+](\C2=CC=C(C=C2)Cl)/[O-])F 1 3.367 1 1 3.64292076515288 869585 CC1=CC2=C(C=C1)C(=C(S2)C(=O)NN=CC3=CC=CN3C)Cl 1 4.578 3 1 -2.47363788620774 869582 COC1=CC=C(C=C1)C(=O)NN=CC2=CC=CC3=C2N=CC=C3 1 2.853 3 2 -4.43969121421651 869580 CN1C=CC=C1C=NNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 4.091 3 1 -2.76250361461315 869579 CC1=NN=C2N1N=C(C=C2)N3CCCC3 1 0.656 5 0 0 -3.4026336092268 869578 COC1=C(C=C(C=C1)C=NNC(=O)C2=NNC(=O)C=C2)O 1 0.514 4 4 0 -10.5116646079586 869574 CC1=C(C=CC(=C1)C=NN2C(=NN=C2SC)C3=CC=CC=C3)OC 1 4.523 4 1 3.76213872773073 869573 C1=CC=C2C(=C1)C3=C(C=CC=C3C2=NNC(=O)N)C#N 1 2.021 4 1 -7.57569711328933 869554 CCN(CC)C(=O)C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2C)C)C 1 4.804 1 2 -9.09287482050118 869542 COC1=C(C=C(C=C1)C(=O)N)NC(=O)C2=CC(=CC=C2)F 1 1.806 2 3 0 -10.1425762723209 869541 CC(C)C1=CC(=CC=C1)OCCN2CCCC2 1 3.607 1 1 3.3942938122497 869493 CC1=C(C=C(C(=N1)SCC2=CC=CC=N2)C#N)C(=O)C 1 2.309 3 1 -11.0238356309639 869497 COC1=CC=CC=C1CC(=O)N2CCCC2 1 1.723 1 2 0 -9.78551380117243 869526 CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)OC)OC 1 1.702 2 4 0 -10.076141922468 869523 CCOC1=CC=CC=C1OCCN2CCCC2 1 2.745 1 2 0.236335796434919 869514 C1CCC2=C(C1)C(=C(C(=S)N2)C#N)C3=CN=CC=C3 1 2.505 3 0 -8.78636369174945 869487 C1CCN(C1)CCOC2=C(C=CC(=C2)Cl)Cl 1 3.742 1 1 4.34032007606439 869474 CC(=O)C1=CC=C(O1)C2=C(N3C=CC4=CC=CC=C4C3=N2)C(=O)C 1 3.02 2 3 0.541913304989274 869467 CCN(CC)CCOC1=CC=CC(=C1)C(C)C 1 3.844 1 1 0.488745309528004 869457 CCOC1=CC=CC=C1NC(=O)CC2=CC=CC=C2OC 1 2.965 1 3 -11.3906068369887 869435 CC1=CC(=CC(=C1OCCN2CCCC2)Cl)Cl 1 4.228 1 1 7.66675544606881 869427 CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C 1 1.04 2 4 0 -14.7418660578236 869424 CNC1=CC=CC=C1N2C=CC(=N2)C3=CC=CC=C3 1 3.812 3 0 0.554063450193914 869419 CSC1=NN=C(N1N)C2=CC=CC=C2 1 1.71 4 0 0 -2.49878906800267 869406 CC(=O)NC1=CC=C(C=C1)C(=O)NC2CCCC2 1 1.56 2 2 0 -9.89058749154461 869403 CC1=CC(=C(C(=C1)Cl)OCCN2CCOCC2)C 1 3.276 1 2 3.90286932935901 869390 CCOC(=O)C1CCN(CC1)C(=O)CC2=CC(=C(C=C2)OC)OC 1 1.922 1 5 0 -15.2834491578763 869388 CC1=CC2=C(S1)CCCCC(=O)N2 1 1.865 1 1 0 -6.21649531209316 869380 C1COCCN1C2=NC3=CC=CC=C3N2NCC4=CC=CC=C4 1 2.414 4 1 -1.47263534009425 869374 C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C(=O)NC3=CC(=CC=C3)O 1 3.11 2 3 -5.43735965730274 869356 CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)F 1 1.554 3 1 0 -10.3580320941911 869329 CC1=C(C=CC(=C1)OCCN2CCOCC2)Cl 1 2.79 1 2 1.71749290900371 869326 COC1=C(C(=CC=C1)OC)OCCN2CCCC2 1 2.38 1 3 1.74533989040657 869281 CC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)CN3CCOCC3)Cl 1 2.259 4 2 -1.87478724022299 869264 CCOC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O 1 2.401 1 5 -11.7366813259099 869248 C1COCCN1CCOC2=C(C=CC(=C2)Cl)Cl 1 2.968 1 2 1.58724535098422 869238 CN1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.53 2 1 -1.00826819914092 869237 CC1=CC(=C(C(=C1)Cl)OCCN2CCCC2)C 1 4.05 1 1 6.65594405443918 869229 COC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3)OC 1 3.021 2 3 1.20934243638672 869220 CN(C)C1=CC=CC(=C1)C(=O)NC2CCCCCC2 1 3.514 2 1 -10.1263453506607 869188 CCCC1=C(NC2=C(C1=O)C=C(C=C2)NC(=O)C)C 1 2.206 2 2 -11.1164726526276 869172 COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C#N)N)C4CC4 1 3.706 3 1 0.404270386523343 869171 CCN(CC)CC(=O)N1C2=C(CCCC2)C3=CC=CC=C31 1 4.2 2 1 -0.504526665813711 869163 COC1=CC=C(C=C1)CC2=CC(=O)C3=CC=CC=C3C2=O 1 3.676 0 3 0.776208453023331 869161 CCN(C1CCCCC1)C(=O)C2=C(C(=C(S2)N)C#N)C 1 3.147 3 1 -6.11386170363742 869160 CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O 1 3.175 0 3 3.17861611205707 869152 C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=O)O 1 3.924 2 2 0.115017700152827 869146 COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CCOCC3 1 2.359 2 3 -8.021106100517 869142 CC(=C1C(=O)C2=CC=CC=C2C1=O)NCCN3CCOCC3 1 1.063 2 3 0 -6.10456630305803 869141 C1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)OCCO3 1 1.879 2 3 0 -10.5413592916988 869136 C1=CC=C2C(=C1)C(=O)C(=CNCC3=CC=CO3)C2=O 1 1.488 1 3 0 -4.7882808912968 869121 COC1=CC=C(C=C1)CCNC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.956 1 4 -13.2813367969281 869117 COC1=C(C2=C(CN(C2=O)C3=CC=CC=C3OC)C=C1)OC 1 2.524 1 4 -6.73278841198559 869112 CC1=NN(C(=C1C2=CC=CC=C2)N)CC3CCCCC3 1 3.847 3 0 -3.49018485521775 869087 C1=CC=C2C(=C1)C(=O)C(=CNCC3=CC=NC=C3)C2=O 1 1.155 2 2 0 -3.4684519127303 869080 CCOC1=CC=C(C=C1)NC(=C2C(=O)C3=CC=CC=C3C2=O)C 1 3.423 1 3 -2.04469464481389 869048 C1COCCN1S(=O)(=O)CCC2=CC=CC=C2 1 0.962 1 3 0 -15.0017671879439 869045 C1CCC(=CC1)CCNC(=O)C2=CC3=CC=CC=C3OC2=O 1 3.395 1 3 -16.3558228915177 869037 CC12CC3(CN(C1)C(N(C2)C3)C4=CC=C(C=C4)Cl)C 1 3.544 2 0 -0.597309227097889 869035 CC12CNCC(C1O)(CNC2)C 1 -0.761 2 1 0 -2.12100842658531 869033 CCC(=NNC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1)C 1 1.769 4 2 0 -23.5101695882867 869028 COCN(C#N)C1=NC(=NC(=N1)OC)OC 1 0.801 5 3 0 -5.38121848015351 869015 CCC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)OC)OC 1 1.983 3 3 0 -12.3732427702523 869011 CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2CC2)C 1 2.786 1 3 -9.1609129703361 868992 COC(=O)C1=C(C=CS1)NC(=O)C2=C(C=CC=C2Cl)Cl 1 3.752 1 3 -9.348344046184 868985 CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CN=CC=C2)C#N)C 1 2.111 3 3 -19.8689533959417 868983 C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC=CS3)C(=O)N 1 3.652 2 2 -12.2334650047407 868972 COC1=C(C=C(C=C1)Cl)C(=O)NC2=CC=NC=C2 1 2.112 2 2 -3.15071323441498 868970 CC1=C(C=CO1)C(=O)NNC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.357 3 3 -3.78090615272435 868964 CC1=CC(=NO1)NC(=O)/C=C/C2=CC=CC=C2 1 2.221 2 2 -12.6934983974861 868950 CC1=CN=C(C=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 3.035 3 2 -10.4156513809506 868943 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCCC2 1 2.702 1 4 -11.2511046429527 868942 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3 1 2.069 1 5 -4.45342621398076 868938 COC1=CC=CC(=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 4.126 2 3 -3.91842778944992 868908 C1COCCN1C(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.26 1 2 -5.33360102378527 868903 CC1=C(C=CO1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N 1 2.492 2 3 -10.5727887944569 868873 C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)Cl 1 3.572 2 1 -1.95907489926908 868821 CCOC(=O)C1=C(N=C(S1)NC(=O)C2CCCCC2)C 1 2.852 2 3 -7.20500615456488 868855 CC1=C(C=CO1)C(=O)NC2=CC(=O)N(C(=O)N2C)C 1 0.115 3 4 0 -10.9925029626996 868846 CCC1=C(SC(=C1C(=O)N)NC(=O)C2=C(OC=C2)C)C 1 1.74 2 3 0 -5.8827529893181 868804 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN4C=NN=C4 1 2.35 5 2 0 -4.53972180018392 868798 CC1=CN=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(O4)C 1 4.163 3 2 -6.33326279565629 868790 C1CCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl 1 4.25 2 1 -3.15115910776692 868767 COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC3 1 1.95 2 2 0 -6.54993671678228 868764 CCC(CC)C(=O)N1CCN(CC1)C2=CC=CC=C2 1 3.25 2 1 -3.75647802907138 868760 CCC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C 1 2.385 3 4 0 -10.5828819919513 868758 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC4=C(C=C3)OCO4 1 3.305 2 3 -0.714336719874844 868749 C1CCC(CC1)NC(=O)NNC(=O)C2=CC(=C(C(=C2)O)O)O 1 1.335 3 5 0 -4.96193960611105 868748 CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN4C=NN=C4 1 3.308 5 1 -6.40865591448143 868714 CC1=C(SC(=C1C#N)NC(=O)C2=CN=CC=C2)C(=O)OC(C)C 1 2.488 3 3 -21.0241387418387 868700 CC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(O4)C 1 4.774 2 2 -4.36309432999493 868699 CC1=CC=C(O1)/C=C/C(=O)NC2=CN=CC=C2 1 1.472 2 2 0 -4.08469153306601 868692 CC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 1 4.629 2 2 -6.26773082247427 868688 CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=CC=CS2)C 1 3.646 1 3 -10.6099741170585 868678 C1CCC(=CC1)CCNC(=O)C2=NC=CN=C2 1 1.492 3 1 0 -13.4969940188912 868676 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CN=CC=C4 1 3.138 3 2 -4.86893610333169 868671 CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC=CS2)C 1 4.024 1 3 -12.6863786628093 868666 COC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)OC 1 2.613 1 4 -4.48085910880307 868665 C1CCC(CC1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.483 2 3 -14.1503844845977 868663 C1CCN(CC1)CCNC(=O)C2=C(C=CC(=C2)Cl)Cl 1 3.422 2 1 -4.94139238463783 868642 CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 1 1.647 2 3 0 -6.26148855509955 868641 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCCC4 1 4.557 2 2 -4.55858077003527 868627 CN(C)S(=O)(=O)C1=CC(=C(C=C1N)Cl)S(=O)(=O)N(C)C 1 -1.9e-002 3 4 0 -3.47927038781652 868621 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCC(=O)O 1 0.506 1 7 0 -17.7296674705907 868614 COC1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)Cl)OC 1 3.737 1 3 -7.06114697412173 868608 CC1(CC(=O)C(=CNC2=CC=CC=C2SC)C(=O)C1)C 1 2.565 1 2 -13.4751613287087 868604 CC1(CC(=O)C(=CNCC2=C(C(=CC=C2)OC)OC)C(=O)C1)C 1 1.719 1 4 0 -12.066855639022 868575 C1CC(=NO)C2=CC=CC3=C2C1=CC=C3 1 2.87 1 1 3.76544092554003 868561 CC1=C(C(=CC=C1)OCCN2C=CN=C2)C 1 2.527 2 1 4.51936908610123 868554 CCOC(=O)NN=CC1=CC=C(O1)C 1 1.551 2 3 0 -6.21939737338247 868547 CC1=CC=C(C=C1)C(=O)CC(=O)C2=C(C=C(C=C2)C)O 1 3.885 0 3 4.45336097373856 868536 CCOC(=O)C1=C(NN=C1N)C2=CC=CC=C2 1 2.08 3 2 -4.74973993092546 868517 COC1=CC=CC=C1OCCN2C=CN=C2 1 1.538 2 2 0 -1.15426555972212 868513 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C3=CC=C(C=C3)F 1 3.006 2 1 -5.09601685147682 868499 CC1=CC(=CC(=C1Cl)C)OCCN2C=CN=C2 1 3.192 2 1 3.76087445045476 868497 CC(=NNS(=O)(=O)C)C1=CC=CC=C1 1 0.79 2 2 0 -6.53708989680557 868486 C1=COC(=C1)C=NNC(=O)C2=NC(=C(C(=C2Cl)N)Cl)Cl 1 2.812 4 2 -3.48253728152082 868477 CCOC(=O)N1CCC(CC1)NC2=CC=C(C=C2)F 1 2.206 2 2 -4.35311472357165 868468 CC1=CC(=CC(=C1)OCCN2C=CN=C2)C 1 2.527 2 1 2.1443714435909 868466 C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)CC4=CC=CS4 1 4.043 3 1 -2.77484613554334 868463 C1CCN(C1)CCOC2=CC=CC=C2[N+](=O)[O-] 1 2.307 2 3 -0.374694339358388 868460 CC1=CC(=C(C=C1)OCCN2C=CN=C2)C 1 2.527 2 1 3.83085939382422 868438 CC1=CC(=CC(=C1)OCCN2CCOCC2)C 1 2.612 1 2 0.422738850491068 868434 CC(=O)OC1=CC2=C(C=C1)OC=C2C(=O)C3=CC=C(C=C3)OC 1 3.289 0 5 0.450432965083595 868433 C1=CC=C(C(=C1)OCCN2C=CN=C2)Cl 1 2.219 2 1 2.14920273940677 868430 CN1CCC(CC1)NC2=CC(=CC=C2)F 1 1.954 2 0 0 2.57242282883025 868422 CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C(S3)C)C 1 3.463 3 0 8.63468376482676 868414 CC(=O)C1=COC2=C1C=C(C=C2)OC 1 1.857 0 3 0 -0.273003920373921 868408 CC1=CC=C(C=C1)C(=NNS(=O)(=O)C)C 1 1.276 2 2 0 -5.74144232929622 868407 C1COCCN1CCOC2=CC=C(C=C2)Cl 1 2.304 1 2 2.56814480719977 868397 COC1=CC=C(C=C1)OCCN2C=CN=C2 1 1.538 2 2 0 1.90953592936908 868395 C1=CC=C2C(=C1)C(=C(S2)C(=O)NN=CC3=CN=CC=C3)Cl 1 3.35 3 1 0.456458826542303 868390 C1CCCC(CC1)NC2=CC3=C(C=C2)C=NN3 1 3.597 3 0 -3.49389927650723 868366 CCN1CCC(CC1)NC2=CC=C(C=C2)Cl 1 2.762 2 0 1.3459303208619 868364 CC1=CC(=CC=C1)OCCN2C=CN=C2 1 2.041 2 1 3.55962149885157 868362 CC1=CC(=C(C(=C1)OCCN2CCOCC2)C)C 1 3.098 1 2 1.82443802776743 868360 CCOC(=O)N1CCC(CC1)NC2=CC(=CC=C2)SC 1 2.542 2 2 -3.70274381265886 868356 CC1=CC=CC=C1OCCN2CCCC2 1 2.899 1 1 3.83763912511903 868346 CC1=CC=CC=C1OCCN2C=CN=C2 1 2.041 2 1 2.8061969931387 868345 CC1=C(C(=CC=C1)C)OCCN2CCCC2 1 3.385 1 1 2.39418153359313 868337 C1CCC(CC1)NC(=O)NNC(=O)C2=CC3=C(C=C2)OCO3 1 1.829 3 4 0 -11.5949106268447 868317 CC1=CC(=NC(=C1)NC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)C 1 4.568 2 1 0.340184723289092 868313 CC1=CC=C(O1)C(=NNC(=O)C2=CC3=CC=CC=C3C=C2O)C 1 2.871 2 3 2.02899765861027 868312 CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN2CCOCC2 1 1.437 2 5 0 -14.2633646314035 868283 CC1=CC=C(O1)C(=O)NC2=CC3=C(C=C2)OCCO3 1 1.941 1 4 0 -6.34776247071235 868282 COC1=CC=C(C=C1)CCNC(=O)C2=NC=CN=C2 1 1.053 3 2 0 -10.3470740072835 868267 CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CN=CC=C4 1 4.083 3 1 -1.53453410293568 868258 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC=CO2 1 0.261 3 4 0 -11.1193771504515 868244 COC1=CC=C(C=C1)S(=O)(=O)NC2=C(SC=C2)C(=O)OC 1 2.11 1 5 -7.39084286713439 868243 CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(O2)C)C 1 1.93 2 4 0 -9.43685414121042 868237 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC2CCCC2 1 2.017 2 4 -15.3682686932392 868191 C1CCCC(CC1)NC2=NC=CC=N2 1 2.223 3 0 -3.40871236611576 868189 C1CSCCN1C2=NC=CC=N2 1 0.546 3 0 0 1.06407972057707 868164 COC1=CC(=CC=C1)OCC(=O)NC2=CC(=CC(=C2)OC)OC 1 2.4 1 5 -8.13843237544619 868157 CC1=CC(=CC(=C1)OCC2=NC(=NO2)C3=CN=CC=C3)C 1 2.802 3 2 0.840385415985361 868156 CC(=NNC(=O)C1=CC=C(C=C1)N(C)C)C2=CN=CC=C2 1 1.675 4 1 0 -10.2860768556588 868151 CN1CCC(=NNC(=O)C2=CC=CO2)CC1 1 0.573 3 2 0 -5.30474165220011 868148 CC(=NNC(=O)C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)OC 1 2.809 3 2 -9.7571108854619 868130 CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)CCC(=O)C)C 1 2.112 1 4 -16.2063370227579 868124 CC(=O)NC1=CC=C(C=C1)OCC=C(Cl)Cl 1 2.291 1 2 -6.02207766459423 868113 COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)OC 1 4.131 2 3 -8.16233558501018 868109 COC1=CC=CC=C1OCC2=NC(=NO2)CC3=CC=C(C=C3)Cl 1 3.663 2 3 -7.32931969286993 868108 C1=CC=C(C=C1)OCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.874 3 4 0 0.894954950402024 868107 C1=CC=C2C(=C1)C(=CN2)C(=O)NN=CC3=CC=C(S3)Br 1 3.498 3 1 0.394904508564394 868098 CC(=NNC(=O)C1=CC=C(C=C1)N(C)C)C2=CC(=CC=C2)OC 1 2.809 3 2 -9.44461231160158 868097 C1=CC=C2C(=C1)C(=CN2)C(=O)NN=CC3=CSC=C3 1 2.638 3 1 -3.1883575620888 868091 CN(C)C1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=N2 1 2.123 4 1 -5.94215619534762 868090 CC1=CC=C(S1)C(=NNC(=O)C2=CNC3=CC=CC=C32)C 1 3.056 3 1 -4.70178058028599 868087 COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2OC 1 2.417 1 4 -8.28686262896847 868068 CC1(CC(CC(N1)(C)C)NC(=O)COC2=CC=CC=C2OC)C 1 1.596 2 3 0 -16.6156137739677 868065 COC1=CC(=CC(=C1)C2=NC(=NO2)C3=CC=CC=C3)OC 1 3.112 2 3 5.02132258847984 868062 COC1=CC(=CC=C1)OCC(=O)NC2=CC(=C(C=C2)OC)OC 1 2.4 1 5 -10.6694336906443 868042 CC1=CC=C(S1)C=NNC(=O)C2=CNC3=CC=CC=C32 1 3.075 3 1 0.130377714225826 868039 COC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.219 1 5 -12.6511539621263 868037 CC1=C(C(=S)C2=C(N1)C(=CC=C2)OC)CCC(=O)C 1 2.791 1 2 -10.337542163067 868034 C1=CC=NC(=C1)SCC(=O)C2=CC=C(C=C2)F 1 3.221 1 1 -3.83538459443758 868027 COC1=CC=CC=C1CNC(=O)COC2=CC=CC=C2OC 1 2.424 1 4 -14.1880472990336 868022 CC1=C(C(=O)C2=C(N1)C=CC(=C2)NC(=O)C)CCC(=O)C 1 1.028 2 3 0 -14.4272237819257 868018 CC1=C(C=CS1)C=NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 2.441 2 4 -8.92412830211977 868012 CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C)Br 1 2.271 2 2 -3.14496483566263 867984 C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)NN)CC4=CC=CC=C4 1 2.63 4 1 -9.9823030334385 867980 CCN1C(=O)C2=C(N=C1SCC(=O)OC)SC3=C2CCC3 1 3.005 2 3 -28.0768723898147 867972 CC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)OC)C 1 2.452 3 1 -4.18561581924559 867969 CC1=NN(C(=C1)NC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC 1 3.869 3 2 -4.56917842751393 867955 CC1(CC2=CC=CC=C2C(=N1)NNC(=O)C3=CC=CC=N3)C 1 2.067 4 1 -4.72182155505866 867941 CC1=NC(=CC(=N1)NNC(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 2.662 4 1 -2.821658362339 867936 CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC3=CC=CC=C3)C 1 3.321 5 0 -2.75667348414329 867913 C1CC2=C(C1)N=C3C(=CNN3C2=O)C4=CC=C(C=C4)Cl 1 2.056 3 1 -1.34407894999209 867896 CC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CS2)[N+](=O)[O-] 1 3.017 3 3 -7.58559613653901 867853 CC1=CC(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3 1 1.617 4 3 0 -0.138328157667542 867850 COC1=CC=C(C=C1)CC2=CNC(=O)NC2=O 1 0.906 2 3 0 -8.9581061355804 867848 CC(=O)/C=C/1\N(C(=CS1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.915 1 1 -5.2079087750011e-002 867847 C1CCN(CC1)C2=NC=NC(=C2)C3=CC=CC=C3 1 2.996 3 0 4.07328048790136 867844 CC1=NN(C(=C1)NC2=CC=CC=C2)C3=CC=C(C=C3)Br 1 4.762 3 0 3.9775737370608e-002 867843 CNC(=S)NCCC1=CC(=C(C=C1)OC)OC 1 2.529 2 2 -13.2846842556896 867830 C1OC2=C(O1)C=C(C=C2)CNC(=O)/C=C/C3=CC=CC=C3 1 2.857 1 3 -7.20654302777317 867823 CC(C)C1=CC=C(C=C1)C=NN2C(=NN=N2)NC3=CC=CC=C3 1 3.434 6 0 -6.9854192765562 867822 CC1(CC2=CC=CC=C2C(=N1)NNC(=O)C3=CC=NC=C3)C 1 1.638 4 1 0 -4.24099071082272 867819 CC1=C(C=NO1)C(=S)NC2=CC=CC=C2 1 2.585 2 1 -1.56875664060614 867801 CC1=NN(C(=C1)NC2=CC=CC=C2)C(=O)C3=CC=CC=C3 1 3.885 3 1 -5.24489124792738 867792 CC(=O)C1=C(SC(=C1)C(=O)C2=CC=CC=C2)NC3=CC=CC=C3 1 4.602 1 2 -4.60912248521304 867791 CCC1=CC2=C(C(=O)N=C2C=C1)NN(C)C(=S)NC 1 1.772 4 1 0 -9.00577307096459 867786 CC1=C(C(=NN1)C)SC2=CC=CC=C2[N+](=O)[O-] 1 2.714 3 2 0.499694433645977 867770 CC1=CC(=NN1C(=O)C2=CC=C(C=C2)Cl)NC3=CC=CC=C3 1 4.19 3 1 0.526691439583058 867748 CC1=NN(C(=C1)NC2=CC=CC=C2)C3=CC=CC=C3 1 4.013 3 0 -1.28508718075065 867747 CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])N 1 3.024 2 3 2.97235205622748 867739 CC1=C(C=NN1C2=CC=CC=C2)C(=S)NC3=CC=CC=C3 1 4.358 3 0 -0.266603595392598 867737 CC1=CC(=NN1C2=NC(=NC(=C2)C3=CC=CC=C3)C)C 1 3.147 4 0 -3.28354044421705 867722 C1CCCC(CC1)NC=C2C(=O)CC(CC2=O)C3=CC=CC=C3 1 3.309 1 2 -5.55346783878883 867720 C1C(CC(=O)C(=CNCC2=CC=C(C=C2)Cl)C1=O)C3=CC=CC=C3 1 3.243 1 2 -7.95576051988531 867718 C1C(CC(=O)C(=CNCC2=CC=CC=C2Cl)C1=O)C3=CC=CC=C3 1 3.243 1 2 -10.7057389299913 867715 C1C(CC(=O)C(=CNCC2=CC=CC=C2)C1=O)C3=CC=CC=C3 1 2.578 1 2 -10.8856055773 867714 CC1(CC(=O)C(=CNCC(=O)N)C(=O)C1)C 1 -0.977 2 3 0 -13.601695972014 867713 CC1(CC(=O)C(=CNC2=CN=CC=C2)C(=O)C1)C 1 0.873 2 2 0 -9.66745711806738 867712 CC1=CC=C(C=C1)/C=C/C(=O)C2C(=O)C3=CC=CC=C3C2=O 1 3.649 0 3 0.723837501539701 867702 C1COCCN1C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3 1 2.499 2 2 -6.50397960430448 867695 C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3 1 1.774 2 3 0 -13.5411832099072 867675 CC1=CC2=C(C=C1)OC(=C2C3=CC=CC=C3)CCC(=O)C 1 4.229 0 2 2.26568112269235 867673 COC1=CC=C(C=C1)C(=O)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 3.114 1 6 0 -6.21753302118366 867664 CN1C2=C(C=C(C=C2)N)N=C1CO 1 0.393 3 1 0 5.89382371368678 867661 CC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)C 1 3.041 1 4 -8.88019186385689 867649 CC1=CC=C(C=C1)N2C=NC(=C2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])N 1 3.368 4 3 0 -4.12567943642991 867648 COC1=CC=CC(=C1)N2C=NC3=C2C(=CC=C3)N 1 2.365 3 1 3.20221488301463 867647 C1C(=O)NC(=O)CN1C(=O)CC2C3=CC=CC=C3C4=CC=CC=C24 1 1.237 2 3 0 -14.3111565747433 867628 CCN(CC)C(=O)CC1=C(NC2=CC=CC=C2C1=O)O 1 1.759 2 3 0 -10.7995355246168 867624 CC(=O)NC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)Cl 1 3.461 3 1 -3.59551773619434 867617 CC1=CC=C(C=C1)CN2C=NC3=CC=CC=C32 1 3.621 2 0 -3.18597804677538 867616 CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CO3 1 3.145 3 2 -5.23956990401747 867609 CCC1=CC=C(C=C1)/C=C/C(=O)C2C(=O)C3=CC=CC=C3C2=O 1 4.105 0 3 0.484399365760616 867602 C1=CC=C(C=C1)C2=CN3C(=N2)SC(=N3)C4=CC=CC=C4 1 3.65 3 0 2.57938778064195 867600 CC1=CC(=C(C=C1)C)NC2=NC3=NON=C3N=C2N4CCOCC4 1 1.683 6 2 0 -14.6065093936209 867593 CC(C)(C)C(=O)CSC1=NC2=C(N1C)C=CC(=C2)OC 1 3.746 2 2 -9.66036824977654 867588 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CN=CC=C2)C 1 2.139 2 2 -2.80676911473559 867570 CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2N 1 3.416 3 0 1.39636564143268 867569 CN(C)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O 1 1.937 3 3 0 -15.9484212236217 867566 C1CSC(=N1)SCC(=O)C2=CC=C(C=C2)Cl 1 3.78 1 1 -6.32960106814544 867565 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=NN4C=NN=C4 1 3.128 5 0 0.298516501935084 867564 C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NC(=O)C4=CC=CO4 1 3.856 3 2 -6.06491109071086 867559 CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC(=C2)OC)OC 1 1.702 2 4 0 -9.98478194689532 867550 C1=CC(=C(C=C1[N+](=O)[O-])C2=CC=C(O2)/C=C(/C#N)\C(=O)N)Cl 1 2.902 3 4 0 -6.33263243645699 867541 CCOC1=CC=C(C=C1)C(=O)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC 1 3.463 1 6 0 -7.08148607316607 867540 CCN1C2=CC=CC=C2N=C1CNC3=CC=C(C=C3)C(=O)O 1 3.115 3 2 -3.79302963653296 867539 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC(C)C 1 2.249 2 3 -6.8103947921643 867523 CC(=NNC(=O)C1=CC=C(O1)Br)C2=CC=CS2 1 2.58 2 2 -10.7090037977536 867518 CC1=CC=C(C=C1)NCC(=O)NN=C(C)C2=CC=C(C=C2)Cl 1 3.474 3 1 -7.97452762930596 867505 CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NN2CCN(CC2)C 1 1.09 4 3 0 -5.13347948988245 867501 C1=CC(=CC=C1[N+](=O)[O-])OC2=CC3=C(C=C2)C(=O)NC3=O 1 2.111 2 5 0 -1.44485350270042 867499 CC1=NC(=NC(=N1)C2=CC=CC=C2OC(=O)C)N(C)C(=O)C 1 1.136 4 3 0 -3.47284546907707 867493 CC1=CC2=C(C=C1C)N(C=N2)N=CC3=CC=C(O3)[N+](=O)[O-] 1 3.583 4 3 0 1.59633377370509 867488 CCC(=O)NC1=NC2=CC=CC=C2N1CC3=CC=CC=C3 1 3.463 3 1 -5.67974314624224 867487 CC1=CC=C(C=C1)C(=O)NN=CC2=NC3=CC=CC=C3N2C 1 3.297 4 1 2.61565849042585e-002 867456 C1=CC=C2C(=C1)NC(=N2)N=CC3=CC=CS3 1 2.79 3 0 1.62422935724357 867445 C1=CC=C2C(=C1)C(=O)C(=NNC3=CC=CC=C3Cl)C2=O 1 3.69 2 2 -0.4031271886289 867433 CCN1CCC(CC1)NC2=CC(=CC=C2)F 1 2.303 2 0 0.574705383048835 867425 CN(C)C1=C2C(=C(SC2=NC=C1)C(=O)NCC3=CC=CC=C3)N 1 2.238 4 1 -12.1176923072074 867418 CC1=CC(=C(C=C1)C)OCCN2CCOCC2 1 2.612 1 2 1.67042746094181 867403 C1CN(CCC1NC2=CC=CC=C2F)CC3=CC=CC=C3 1 3.538 2 0 2.87740022657806 867370 C1CCN(C1)CCOC2=CC3=CC=CC=C3C=C2 1 3.321 1 1 6.04574169992092 867368 CC1=C(C=C(C=C1)OCCN2CCOCC2)C 1 2.612 1 2 0.56023413144724 867367 COC1=CC(=C(C=C1)C=NNS(=O)(=O)C)OC 1 0.777 2 4 0 -2.05509418491668 867365 CC1=CC=C(C=C1)OCC(=O)NN=CC2=CN=CC=C2 1 1.854 3 2 0 -4.95225652458342 867362 CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3)C(=O)C 1 3.586 0 3 -5.5263515645475 867361 C1COCCN1CCOC2=CC=CC=C2[N+](=O)[O-] 1 1.534 2 4 0 -3.12776906443855 867345 CC(C)(C)C1=CC=C(C=C1)OCCN2CCCC2 1 3.813 1 1 6.07735499080442 867326 CC(C)(C)C1=CC=CC=C1OCCN2CCCC2 1 3.813 1 1 4.37530649755455 867321 C1=CC2=C(C(=C1)C(=O)NN=CC3=CC=CS3)NC=C2 1 2.93 3 1 -1.72535360553525 867317 C1CCN(C1)CCOC2=CC=CC=C2Br 1 3.161 1 1 3.93628811454529 867312 CC1=C(C(=NN1)C2=CC=C(C=C2)OC)C3=C(C=CC(=C3)OC)O 1 3.609 2 3 9.17944007041608 867308 CC(=O)OC1=CN=C2C=CC(=CC2=C1)OC 1 1.767 1 3 0 1.02701903581574 867305 CN1CCC(CC1)NC2=CC=C(C=C2)Cl 1 2.413 2 0 3.34364776664332 867287 CC(=O)OC1=CC2=C(C=C1)OC=C2C(=O)C3=C(C=CC(=C3)OC)OC 1 3.272 0 6 -2.13865461519961 867285 CCOC(=O)N1CCC(CC1)NC2=CC=CC(=C2)C 1 2.487 2 2 -3.91757810856447 867283 C1CC2=CC=CC=C2N3C(=NN=C3CC#N)C1 1 2.339 4 0 -7.48233319597962 867281 CCOC(=O)C(=NNC1=C(C=CC(=C1)OC)OC)C#N 1 2.097 3 4 0 -0.989834565065925 867272 C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)Br)C(=O)O 1 3.061 2 3 -5.87028502919146 867266 C1OC2=CC(=CC(=C2O1)[N+](=O)[O-])C=NNC(=O)C3=CC=NC=C3 1 1.195 4 5 0 -6.7523060175152 867258 COC1=CC(=CC=C1)OCCN2C=CN=C2 1 1.538 2 2 0 1.46520677339256 867257 CC1=CC(=C(C(=C1)OCCN2C=CN=C2)C)C 1 3.013 2 1 3.54607062086726 867251 CC(=NNS(=O)(=O)C)C1=CC2=CC=CC=C2C=C1 1 1.698 2 2 0 -1.99568325784547 867248 C1=CC(=CC=C1OCCN2C=CN=C2)Br 1 2.303 2 1 2.83311765519816 867238 CCC1=CC=C(C=C1)OCCN2C=CN=C2 1 2.497 2 1 2.2283405739337 867229 CC1=C(C(=CC=C1)OCCN2CCOCC2)C 1 2.612 1 2 2.7977364930014 867224 CC1=CC(=C(C=C1)C)OCCN2C=CN=C2 1 2.527 2 1 3.39206005404165 867220 CCC(=NNS(=O)(=O)C)C1=CC=CC=C1 1 1.457 2 2 0 -5.93563116973875 867211 CC1=CC2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)OC(=O)C 1 3.802 1 3 -2.16422238079718 867184 CCN(CC)CCOC1=C(C=CC=C1Cl)C 1 3.8 1 1 1.96065775653868 867182 CCOC(=O)N1CCC(CC1)NC2=CC=C(C=C2)C 1 2.487 2 2 -5.0649917490369 867151 CC1=NN(C(=O)C1)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C 1 3.688 2 2 -2.91881717538299 867145 CC1(CC(=NOC(=O)C2=CC=CC=C2)CC(N1O)(C)C)C 1 2.209 2 3 -0.255880135113812 867110 CC(=O)OC1=CC=C(C=C1)/C=C\2/C(=O)OC(=N2)C3CCCCC3 1 3.542 1 4 -7.70203148769834 867106 C1CCC(CC1)C2=NC(=NO2)C3=CC=C(C=C3)Br 1 4.355 2 1 5.79367206621792 867104 CC1=CC=C(C=C1)C2=NOC(=N2)C3CCCCC3 1 4.093 2 1 5.42833312073254 867101 CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3Br 1 4.379 2 1 7.11604706087787 867096 C1=CC=NC(=C1)C2=NOC(=N2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.317 4 3 0 3.50659874768725 886956 CCOC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)OC 1 2.371 1 4 -8.30870942773225 886954 CC1=C(C=CC(=C1)C2=CSC(=N2)NCC3=CC=CO3)OC 1 3.345 2 2 7.57657205085168 886941 COC1=CC=CC=C1/C=C/C(=O)N2CCOCC2 1 1.383 1 3 0 -7.10179092809287 886932 C1CCC(=NN2C(=O)C3=CC=CC=C3NC24CCCCC4)CC1 1 3.731 3 1 -5.76212094511938 886930 C1=CC=C(C=C1)NC(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 3.858 2 1 -3.46581411585719 886929 CC1=CC(=CC=C1)CN2C=NC3=CC=CC=C32 1 3.621 2 0 -2.47672747350677 886920 C1=CC=C2C=C(C=CC2=C1)NC(=O)CSC3=CC=CS3 1 3.703 1 1 -4.28157269493508 886909 CC(C)(C)C1=CC=C(C=C1)OC2=CS(=O)(=O)C3=CC=CC=C32 1 3.709 0 3 1.90895467732416 886906 CCOC(=O)C1=CC=CC=C1NC(=O)/C(=C/C(=O)O)/C 1 1.844 1 5 0 -9.68979566034244 886905 CN(C1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3N=C2 1 2.915 3 1 0.337120365063065 886882 C1=CC=C(C=C1)/C=C(\C=NN2C(=NNC2=S)C3=CN=CC=C3)/Cl 1 3.325 5 0 -5.43865802073848 886876 CC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CC=C(O3)Br 1 2.354 3 2 -0.912316460625551 886875 CC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC=CC=C2 1 2.755 1 2 -12.3832654124834 886863 CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=CC=C2C 1 3.743 3 2 -12.7780920530876 886851 C1=CC=C(C=C1)C(=O)NCCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] 1 2.464 2 5 0 -14.7720348627476 886847 C1CCC(CC1)NC(=O)CSC2=NN=C(S2)N 1 1.558 4 1 0 -16.4903710180138 886842 C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3 1 4.077 3 1 -9.07895810071149 886837 C1CCC(CC1)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 1 1.98 4 2 0 -14.4652883617222 886835 CC1=CC=CC2=C1N(C(=CC2=O)C)CC3=CC=CC=C3 1 4.15 1 1 -0.272956120566635 886825 C1=CC=C(C=C1)CSCC(=O)NC2=CC(=CC=C2)F 1 3.22 1 1 -8.02129582373184 886824 CC1(C=C(NC(=S)N1)/C=C/C2=CC(=CC=C2)OC)C 1 3.193 2 1 -0.386207005078511 886822 CC1=CC=C(C=C1)SCC(=O)N2CCC(CC2)C(=O)N 1 1.597 2 2 0 -5.9407722159074 886815 C1COCCN1CC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.27 3 4 0 -6.63572088218426 886813 C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4F 1 4.672 3 0 3.24403914642295 886805 CC1=CC(=C(C(=C1)C)NC(=O)COC2=CC=C(C=C2)N3C=NN=N3)C 1 2.795 5 2 0 -17.5944370141819 886798 CC1=CC=C(N1C2=CC(=C(C=C2)N3CCOCC3)Br)C 1 3.595 2 1 -1.8841338146619 886796 CCOC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)OC 1 2.903 2 3 -2.87470701801618 886795 CN1C=CC(=N1)C(=O)OCC(=O)C2=CC=CC=C2 1 2.019 2 3 -12.0842965257968 886794 C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)C=NNC(=O)N 1 2.581 3 2 -4.40306847022346 886750 C1=CC=C(C=C1)CCNC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 5.745 2 0 -5.42197651316108 886735 C1=CC=C(C=C1)CNC(=S)NN=CC2=CC=CS2 1 3.768 3 0 -8.65782515774931 886732 C1=CC=C(C(=C1)COC2=CC=CC(=C2)C=NN3C=NN=C3)F 1 2.817 4 1 -8.27849666022717e-002 886683 CC1=NC(=C(C(=C1)COC)C#N)NC2CCCCC2 1 2.851 3 1 -8.3210339852723 886685 CCNC(=S)NN=CC1=CC=C(O1)C2=CC=CC=C2 1 3.785 3 1 -3.820000076895 886725 CCOC1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)C)OCC 1 3.019 1 4 -8.91190450011523 886724 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=N2 1 1.517 3 2 0 -13.011598271973 886708 C1=CC=C(C=C1)C2=NOC(=N2)COC3=CC=CC=C3 1 2.98 2 2 3.03247422453806 886703 CC1=CC(=NC(=C1C#N)N(C2=CC=CC=C2OC)C(=O)C)C 1 2.752 3 2 -10.4230776920907 886698 C1=CC=C(C(=C1)COC2=CC=C(C=C2)C=NN3C=NN=C3)F 1 2.817 4 1 -0.109206629407196 886657 C1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=CC(=C3)C#N 1 2.967 5 0 -1.13133732536951 886651 CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)N3C=NN=N3)C 1 2.309 5 2 0 -16.6172362856484 886632 C1=CC=C(C=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)Cl 1 3.644 2 2 5.62202079348832 886617 COC(=O)NN=CC1=CC=C(O1)C2=CC(=C(C=C2Cl)Cl)Cl 1 4.86 2 3 -2.10164879949091 886608 CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=O 1 2.016 1 5 -6.62731164369265 886589 C1CCC(CC1)NC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 5.699 2 0 -4.58336324289816 886581 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC3=CC=CC=C32 1 3.262 1 2 -4.84200062534082 886577 C1=CC=C(C(=C1)C2=CC=C(O2)C=NN3C=NN=C3)Cl 1 2.914 4 1 5.37866575351696 886562 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 1 3.506 1 2 -11.831680022569 886561 C1OC2=C(O1)C=C(C=C2)NCC(=O)NN=CC3=CC=CC=C3Cl 1 2.776 3 3 -8.80668726244139 886537 CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1)OC(C)C 1 4.574 0 3 -1.99367907127328 886535 CC(=O)OC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)N3CCCCC3 1 3.447 1 3 -0.844632508755889 886529 CC1=CC=C(S1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F 1 3.85 2 2 2.70684453752572 886527 CC1=CN2C(=NC(=C2NC(=O)C3=CC=CO3)C4=CC=CC=C4)C=C1 1 3.722 3 2 -2.19458360824245 886524 CC1=CC=CN2C1=NC(=C2)C3=CC(=C(C=C3)OC)Br 1 3.735 2 1 0.871541073548693 886522 CC(C)OC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl 1 4.251 0 3 -9.91352592142813 886518 CC(=O)OC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)OC3=CC=CC=C3 1 4.548 0 4 -1.26061967295542 886516 CC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3 1 2.943 0 4 -4.07984767965692 886514 CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C 1 3.056 0 3 -5.76148542490844 886511 C1=CC(=CC=C1N2C(=O)C=CC2=O)OC(F)F 1 2.193 1 3 3.86304322648229 886509 C1=COC(=C1)/C=[N+](/C2=CC=C(C=C2)Cl)\[O-] 1 2.557 1 2 2.16553603743463 886502 CC(C)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2 1 3.587 0 3 -10.0118759590731 886495 CC(=O)OC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)NCC(=O)O 1 1.805 1 5 0 -6.30280884525222 886493 CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3CCC(CC3)C)C)C 1 3.679 2 3 -1.58043907177115 886490 C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3N)C4=CN=CC=C4 1 1.852 7 0 0 -8.50542917919342 886487 CC1=CC(=CC=C1)NC(=S)C2=NC3=CC=CC=C3S2 1 4.962 2 0 1.3024476041564 886476 C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC=CC=C3F 1 4.271 4 0 -7.32421552763162 886474 C1CCC(CC1)C(=O)NC(=S)NCCC2=CC=CC=C2 1 4.278 2 1 -7.08055745675324 886471 C1CCC(CC1)C(=O)NC(=S)NCC2=CC=CC=C2 1 3.957 2 1 -6.54441788907185 886459 CC(=O)OC1=CC2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C 1 2.159 0 5 -4.77752570115123 886450 CC1=C(OC2=CC=CC=C12)C(=O)NCCC3=CC=CC=C3 1 4.023 1 2 1.31728419693234 886447 C1CCN(CC1)C(=S)NC2=CC(=CC=C2)F 1 4.17 2 0 -8.82873090930646 886445 CCNC(=S)NC1=CC=CC=C1C2=CC=CC=C2 1 4.379 2 0 -1.67757593052307 886442 C1=CC=NC(=C1)CNC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 4.489 3 0 -7.49264634084665 886439 CC1=CC=CC=C1NC(=S)C2=NC3=CC=CC=C3N2 1 4.394 3 0 0.603649501729857 886422 CC1=CC=C(C=C1)C(=O)NC(=S)NCCN2CCOCC2 1 2.224 3 2 -12.6245617368212 886418 C1=CC=C2C(=C1)C=CC=C2NC(=S)NCC3=CC=CC=N3 1 4.068 3 0 -9.25305594670965 886410 COC1=CC(=C(C=C1)C(=O)CC2=CC=C(C=C2)F)OC 1 3.441 0 3 0.327389209675164 886409 CC1=NC(=CS1)C2=CC(=C(C=C2)OC)Br 1 3.225 1 1 3.72893935429386 886408 CC1=CC(=C(C=C1)NC(=S)C2=NC3=CC=CC=C3C=C2)C 1 5.573 2 0 -3.74096404358922 886400 C1=CC=C(C(=C1)OCC(=O)C2=C(C=C(C=C2)O)O)F 1 2.791 0 4 3.40476281515211 886393 COC1=C(C=C(C=C1)C(=O)SC2=CC=C(C=C2)Cl)OC 1 4.451 0 3 0.15720539570389 886377 C/C=C(\CS(=O)(=O)C1=CC=CC=C1)/S(=O)(=O)C2=CC=CC=C2 1 3.182 0 4 -7.06944951868928 886373 C1COCCN1CCNC(=S)NC2=CC(=CC=C2)F 1 2.544 3 1 -8.64516115771549 886372 COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)OCO3)OC 1 2.997 0 6 -13.3094314298605 886371 CC1=CC=C(C=C1)OCC(=O)OC2=CC=CC(=C2C)C 1 4.555 0 3 -2.66912010739388 886368 CC1=CC=CC=C1NC(=S)NCC2=CC=C(C=C2)OC 1 4.565 2 1 -8.88120058627962 886366 CC1=CC=CC=C1NC(=S)NCCC2=CNC3=CC=CC=C32 1 5.196 3 0 -12.6333763085721 886358 CCC1=C(C=C(C(=C1)C(=O)CC2=CN(N=C2)C3=CC=CC=C3)O)O 1 3.953 2 3 11.5169342295589 886353 CC1=CC=C(C=C1)NC(=S)NCC(C)C 1 4.19 2 0 -7.92020321295855 886330 CC1CCN(CC1)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 3.511 3 3 -18.1183281847703 886312 C1=CC=C2C(=C1)N=C(S2)C(=S)NC3=CC=C(C=C3)Cl 1 5.141 2 0 1.33419496793887 886305 CC1=CC(=CC(=C1NC(=O)C2=C(C=C(C=C2)C#N)F)C)Br 1 4.419 2 1 -4.34721301761837 886291 CC1=CC=C(C=C1)NC(=S)C2=CC=C(C=C2)OC 1 4.456 1 1 -1.75501681716001e-002 867089 C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NO2)C3=CC=NC=C3 1 1.888 4 3 0 4.49531352520857 867088 CC(C)(C)C1=CC=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3 1 3.394 3 1 10.07990531641 867087 C1=CC(=CC=C1C2=NC(=NO2)C3=CC=NC=C3)[N+](=O)[O-] 1 1.888 4 3 0 4.99592331702776 867086 CCC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3 1 2.936 3 1 7.26233303151963 867085 COC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3)OC 1 1.961 3 3 0 3.41434852187967 867032 CC1=CC(=NN1CC(=O)NCC2=CC=CS2)C(F)(F)F 1 2.379 3 1 -16.0730758311742 867020 CC1=CC(=C(C=C1)O)NC(=O)/C=C/C(=O)O 1 1.438 1 4 0 -0.742247065795306 867016 C1=CC2=C(C(=O)N(C2=O)CC3=CC=CO3)N=C1 1 0.905 2 3 0 -1.07120694819273 867014 CC1=CC(=C(C=C1)OC)NC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 2.841 2 3 -8.77751908804029 867012 CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3 1 1.277 3 4 0 -8.5458140299358 867011 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC(=C(C=C2)OC)Cl 1 3.019 2 3 -7.11811046571321 867009 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=C(C=CC(=C2)Cl)OC 1 3.019 2 3 -6.57417520147021 867008 CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=C(C=C2)F 1 2.583 2 2 -8.35710680040219 867006 CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=CC=C2OC 1 2.361 2 3 -11.5962078660775 867005 CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)C3=CC=CC=N3 1 2.018 4 2 -5.87079203916919 867004 CC1=CC(=CC(=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)C)C)C 1 3.343 2 2 -6.93579011847888 867003 CC1=C(NC(=C1C(=O)C)C)C(=O)NCCC2=CC=CC=C2 1 2.699 2 2 -9.15888117044247 867000 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=C(C=CC(=C2)OC)OC 1 2.338 2 4 -8.85429623903361 866998 CCOC1=CC=C(C=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 2.703 2 3 -7.46248496914909 866997 CC1=CC=C(C=C1)CNC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 2.864 2 2 -9.25728042020125 866996 CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=C(C=C2)OC 1 2.361 2 3 -9.48195003501159 866995 CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCC3=CC=CC=C32 1 2.651 2 2 -12.3099120632144 866993 CCC1=CC=C(C=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 3.313 2 2 -6.52273374407601 866992 CC1=C(C(=CC=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)C)C)C 1 3.343 2 2 -6.00456536595574 866991 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=C(C=C(C=C2)F)F 1 2.782 2 2 -5.88291817536171 866990 CC1=C(NC(=C1C(=O)C)C)C(=O)NCCC2=CC=C(C=C2)Cl 1 3.363 2 2 -6.52206757507605 866988 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC=C(C=C2)OC 1 2.354 2 3 -6.69626181744106 866987 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CN=CC=C2 1 1.22 3 2 0 -6.88003974944271 866986 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.313 2 2 -1.91748301867219 866984 CC1=CSC(=N1)NC(=O)C2=C(C(=C(N2)C)C(=O)C)C 1 1.651 3 2 0 -7.91148260575134 866983 CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=NC=CS2 1 1.368 3 2 0 -8.36190068925873 866976 CCSC1=NC(=O)C2=CNN(C2=N1)C3=CC(=C(C=C3)C)C 1 2.905 4 1 -4.93418248329219 866975 CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SC)C 1 2.556 4 1 -2.90684521819272 866971 CCOC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)C 1 2.126 4 3 0 -10.5433702300504 866966 CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SC(C)C 1 2.796 4 1 -2.78512806665961 866965 CCSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)C 1 2.419 4 1 -3.57390419739562 866960 CC(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)Cl 1 2.974 4 1 -0.963129376072792 866943 CC(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3 1 2.31 4 1 -3.04643126180184 866934 CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=CC=C2 1 1.351 3 2 0 -7.32226710927623 866930 CC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)[N+](=O)[O-] 1 3.699 4 5 0 -23.1279866875405 866927 COC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC 1 3.285 3 5 0 -24.2932743345446 866909 COC1=CC(=CC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC 1 3.285 3 5 0 -21.3905241829863 866908 COC1=CC=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 1 3.302 3 4 0 -18.9466453237336 866907 CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N(C1=O)C 1 -0.219 3 5 0 -24.3687738355487 866906 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3 1 3.5e-002 2 4 0 -24.6235599260439 866903 CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C43 1 1.999 2 3 0 -22.1491509289556 866901 CC1=CC(=CC=C1)NS(=O)(=O)C2=C(NN=C2C)C 1 1.676 3 2 0 -4.65719159675818e-002 866899 CC1=C(C(=NN1)C)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 0.975 3 4 0 -6.14779159379322 866894 CC1=C(C(=NN1)C)S(=O)(=O)NCCC2=CC=C(C=C2)Cl 1 2.182 3 2 -3.10269202837721 866891 COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=CN=CC=C3 1 1.314 4 3 0 -6.07771229848239 866890 COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3CCCC3 1 2.29 3 3 -8.44283397223814 866888 COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3=CC=CO3 1 1.653 3 4 0 -12.8170311481293 866887 CC1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)OC 1 2.263 3 3 -8.54556409368465 866878 C1CCN(C1)C(=O)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCCO4 1 1.725 3 4 0 -14.1905149449451 866877 COC1=CC(=C(C=C1)OC)C2=NN=C(O2)SCC(=O)N3CCCC3 1 1.906 3 4 0 -16.1557403802088 866876 C1COCCN1C(=O)CSC2=NN=C(O2)COC3=CC=CC=C3 1 1.001 3 4 0 -20.686084701885 866874 C1CCC(CC1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 3.165 3 2 -22.4554700054193 866873 C1CCN(C1)C(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 1.974 3 2 0 -19.9329971398192 866868 CC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)N3CCCC3)C 1 2.911 3 2 -10.054111232613 866861 CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N3CCOCC3 1 1.498 3 4 0 -14.3875763954755 866859 CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N3CCCC3 1 2.271 3 3 -12.4648114315319 866857 C1COCCN1C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 1.83 3 3 0 -11.3863883440365 866855 COC1=CC=CC(=C1)C2=NN=C(O2)SCC(=O)N3CCOCC3 1 1.149 3 4 0 -11.8798048034425 866853 COC1=CC=CC=C1C2=NN=C(O2)SCC(=O)N3CCCC3 1 1.922 3 3 0 -15.3488733544853 866852 CC1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3OC 1 2.63 3 3 -18.3924514725578 866838 C1COCCN1C(=O)CSC2=NN=C(O2)C3=CC=CC=C3 1 1.166 3 3 0 -13.6829034509386 866836 C1=CC=C(C(=C1)C2=NOC(=N2)CCC(=O)NC3=CN=CC=C3)F 1 1.535 4 2 0 -10.2704479875527 866835 C1=CC=C(C(=C1)C2=NOC(=N2)CCC(=O)NCC3=CC=CO3)F 1 1.875 3 3 0 -17.0097668371996 866833 COC1=CC=CC=C1NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3F 1 2.67 3 3 -13.2764373644498 866817 CC1=NN(C(=C1)C2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCC5)C 1 3.285 6 0 -13.9036659291226 866806 CC1=C(NC2=C1C(=O)CCC2)C(=O)OC(C)C 1 2.674 1 3 -11.6557782818137 866719 C1CCC(C1)NC(=O)CSC2=NC=CN2C3=CC(=CC=C3)Cl 1 3.709 3 1 -6.06762941720114 866718 CC1=CC(=NO1)NC(=O)CSC2=NC=CN2C3=CC(=CC=C3)Cl 1 3.022 4 2 -12.2369219607873 866706 COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=CC=C3 1 3.203 3 2 -7.25042918044278 866705 COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)NC3=NC=CS3 1 2.2 4 2 -8.26460513766658 866704 COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)NC3=CC=CC=C3 1 3.203 3 2 -6.74327091989351 866702 CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NC3=NC=CS3)C 1 3.189 4 1 -8.25417466609751 866699 CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NC3=NC=CS3)C 1 3.189 4 1 -9.43975131539698 866695 CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)NC3=NC=CS3 1 2.702 4 1 -5.4931918208041 866687 C1=CC=C(C=C1)N2C=CN=C2SCC(=O)NCC3=CC=C(C=C3)F 1 3.431 3 1 -10.5104879433972 866671 COC1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC=CC=C3 1 3.203 3 2 -7.76026755265706 866669 C1CN(C2=CC=CC=C21)C(=O)CSC3=NC=CN3C4=CC=CC=C4 1 3.5 3 1 -11.7154772660441 866661 COC1=CC=C(C=C1)NC(=O)COC2=NSN=C2N3CCCCC3 1 2.333 4 3 0 -5.38578982659484 866660 CCOC(=O)CSC1=NN=C(N1C)CNC(=O)C2=CC(=CC=C2)C 1 2.01 4 3 0 -21.7050405214309 866658 CCOC(=O)CSC1=NN=C(N1C)CNC(=O)C2=CC=CO2 1 0.919 4 4 0 -21.6996538207595 866654 CCOC(=O)CSC1=NN=C(N1C)CNC(=O)CC2=CC=CC=C2 1 1.558 4 3 0 -24.3872967656982 866653 CN1C(=NN=C1SCC(=O)OC)CNC(=O)CC2=CC=CC=C2 1 1.21 4 3 0 -23.564362627631 866652 CN1C(=NN=C1SCC(=O)OC)C2=CC3=C(C=C2)OCO3 1 1.883 3 4 0 -12.8115142405721 866646 CC1=CC=CC=C1NC(=O)C2=CC3=C(S2)N=C4C(=CC=CN4C3=O)C 1 3.132 3 2 -17.1239210019976 866639 CC1=CC=CN2C1=NC3=C(C2=O)C=C(S3)C(=O)N4COCC4(C)C 1 1.528 3 3 0 -14.3417013009369 866632 CCCN(CCC)C(=O)C1=CC2=C(S1)N=C3C(=CC=CN3C2=O)C 1 3.02 3 2 -17.1729305041143 866626 CC1=CC=CN2C1=NC3=C(C2=O)C=C(S3)C(=O)N4CCCCC4 1 2.193 3 2 -16.8749184691988 866625 CCN(CC)C(=O)C1=CC2=C(S1)N=C3C(=CC=CN3C2=O)C 1 1.973 3 2 0 -17.171098033604 866617 CC1=CC=CN2C1=NC3=C(C2=O)C=C(S3)C(=O)NC4CCCC4 1 2.472 3 2 -17.9462885840502 866607 CC1CCN(CC1)C(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 1.998 3 2 0 -19.453942867856 866601 C1CCCC(CC1)NC(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 2.938 3 2 -18.1906718929711 866600 CCN1CCN(CC1)C(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 1.135 4 2 0 -15.6144527925337 866577 C1COCCN1C(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 0.517 3 3 0 -18.3331297137272 866575 CCN(CC)C(=O)C1=CC2=C(S1)N=C3C=CC=CN3C2=O 1 1.527 3 2 0 -17.0610128283568 866572 CN1CCN(CC1)C(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 0.786 4 2 0 -14.0077968890828 866571 CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O)C 1 3.172 3 2 -14.9551920412715 866570 CC1=CC(=CC=C1)NC(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 2.686 3 2 -12.6033485720943 866569 CC(C)CCNC(=O)C1=CC2=C(S1)N=C3C=CC=CN3C2=O 1 2.204 3 2 -21.9808829934664 866566 CN(C1CCCCC1)C(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O 1 2.687 3 2 -13.2468663199502 866553 COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=CS4 1 2.859 5 1 -0.127825214642209 886264 C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CO4 1 2.498 4 1 3.55940512165819 886255 CC(=NO)/C=C/C1=CC=C(C=C1)OCC2=CC=CC=C2 1 3.662 1 2 3.0600975445005 886247 CC1=CC=CC=C1NC(=S)NC2CCCC2 1 4.4 2 0 -8.62610706516548 886231 CC1(CCC(=O)C=C1NC2=CC(=C(C=C2)F)Cl)C 1 3.708 1 1 1.48514416359801 886229 CC1(CC(=CC(=O)C1)NC2=C(C=C(C=C2)Br)F)C 1 3.657 1 1 -10.4329422160706 886213 CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=C(C=CC(=C3)C)C 1 6.136 3 0 -6.24530509550604 886209 CCOC(=O)C1=C(N=C(S1)N(C)C(=O)C)C 1 0.931 2 3 0 -8.67127896249631 886207 CCNC1=NC(=C2C=C(C(=O)N(C2=N1)CC)Br)C 1 1.508 4 1 0 -3.77882416598528 886206 CC1=CC=CC=C1NC(=S)NCC2=CC=C(C=C2)F 1 4.787 2 0 -7.75635735167023 886201 C1CCN(C1)C(=S)NC2=CC=C(C=C2)Cl 1 4.173 2 0 -8.44326937018201 886193 CC1=C(C=CC(=C1)CCCC(=O)NCC2=CC=CC=C2)OC 1 4.038 1 2 -10.9422844482908 886192 COC1=CC=CC(=C1)NC(=S)NCC2=CC=C(C=C2)F 1 4.284 2 1 -6.25236522960353 886185 CC1=CC(=CC=C1)OCC(=O)NC2=NC(=C(S2)C(=O)OC)C 1 2.362 2 4 -8.76256480057947 886174 CC1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3N2 1 4.394 3 0 2.69865565186169 886173 CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3CCCCC3 1 5.653 3 0 -7.22163160646531 886172 C1CCC(CC1)C(=O)NC(=S)NC2=CC=C(C=C2)Br 1 4.976 2 1 -4.56362224202386 886163 CCNC(=S)NC1=CC(=C(C=C1)Cl)C(F)(F)F 1 4.467 2 0 -7.47196198902184 886160 CCC1=C(C=C(C(=C1)C(=O)COC2=CC=CC=C2F)O)O 1 3.733 0 4 4.97412608534871 886159 CN1CCN(CC1)NC(=S)NC2=CC(=CC=C2)OC 1 2.095 4 1 -2.82781722054544 886156 CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC(=O)C 1 3.886 0 4 -3.66167085918035 886153 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=C(C=C(C=C3)C#N)F 1 3.607 2 1 -6.16950282990622 886140 CN1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 1.563 3 3 0 -4.12920632497085 886126 CN(C)C1=CC=C(C=C1)C(=S)NC2=CC=C(C=C2)OC 1 4.132 2 1 -2.67883654678426 886118 C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=NC=C(C=C3)Cl 1 3.282 3 1 -4.20018953882654 886110 COC1=CC=CC=C1NC(=S)NCCC2=CC=CC=C2 1 4.4 2 1 -10.9546238181719 886107 CC1=CC(=C(C=C1)C)NC(=S)C2=NC3=CC=CC=C3C=C2 1 5.573 2 0 -2.75726463030524 886106 CC1=C(SC(=N1)NC(=O)/C=C/C2=CC=CC=C2Cl)C(=O)OC 1 3.173 2 3 -6.80354876476562 886104 CCNC(=S)NCCN1CCOCC1 1 0.833 3 1 0 -10.953709229814 886103 CC1=CC=CC=C1NC(=S)NCCC2=CC=CC=C2 1 4.903 2 0 -9.98760184660887 886097 COC1=CC=CC=C1NC(=S)NCC2=CC3=C(C=C2)OCO3 1 3.847 2 3 -11.1305102859236 886096 CC1CCN(CC1)C(=S)NC(=O)C2CCCCC2 1 4.078 2 1 -11.4242420288981 886089 CCN(CC)C(=S)NC1=CC(=C(C=C1)Cl)Cl 1 5.074 2 0 -6.48282781594414 886085 CC1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3S2 1 4.962 2 0 -0.487803722647953 886080 C1CCC(CC1)C(=O)NC(=S)NC2=CC=C(C=C2)F 1 4.433 2 1 -4.21708416204399 886074 COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2CCCCC2 1 4.083 2 3 -11.0318795615798 886061 C1CN(CCN1C2=CC=CC=N2)C(=O)C(Cl)Cl 1 1.792 3 1 0 -2.39665460918374 886049 COCC(=O)NC1=CC(=C(C=C1)OC)Cl 1 1.334 1 3 0 -6.2618345312462 886038 CCCC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2 1 3.623 2 1 -8.26518743172879 886036 C1=CC(=C(C=C1N2C(=O)C=CC2=O)C(=O)N)Cl 1 1.055 2 3 0 -5.40842336838842e-002 886034 COC1=CC(=C(C=C1)NC(=O)CCCC2=CC=CC=C2)OC 1 3.529 1 3 -11.2294817871827 886031 COC1=CC=CC(=C1OC)/C=C\2/C(=O)SC(=N2)SC 1 3.375 1 3 -8.59684427756764 886017 COCC(=O)NC1=CC=C(C=C1)C(=O)N 1 -0.311 2 3 0 -9.66362735464666 886009 COC1=C(C=C(C=C1)NC(=O)C(F)(F)F)OC 1 2.005 1 3 -8.11063844995354 885996 CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC 1 1.067 2 4 0 -9.31593572976777 885984 C1CN(CCN1C2=CC=CC=N2)C(=O)C(Cl)(Cl)Cl 1 2.275 3 1 -2.08018597883795 885979 CN(C)C1=CC=C(C=C1)NC(=O)CCCC2=CC=CC=C2 1 3.724 2 1 -9.32208986161427 885974 C1=CC(=CN=C1)CNC(=O)C(Cl)(Cl)Cl 1 1.484 2 1 0 -8.61880793093079 885971 C1=CC=C(C=C1)CCCC(=O)NC2=C(C=C(C=C2)Br)F 1 4.515 1 1 -5.01862988737025 885967 COCC(=O)NC1=CC(=CC=C1)Br 1 1.435 1 2 0 -4.13707598425402 885964 CC1=CC(=C(C=C1)C(=O)NC2=CC=NC=C2)Cl 1 2.614 2 1 -0.223278119667465 885953 CC(C)NC(=O)CCCC1=CC=CC=C1 1 2.711 1 1 -15.9421638184749 885951 COC1=CC=C(C=C1)CNC(=O)CCCC2=CC=CC=C2 1 3.552 1 2 -12.3915185618924 885946 COC1=C(C=C(C=C1)NC(=O)CCCC2=CC=CC=C2)OC 1 3.529 1 3 -11.9909222320345 885943 COCC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2 1 2.236 2 2 -4.74251836773401 885937 C1CCC(CC1)NC(=O)COC2=C(C=C(C=C2)Br)Cl 1 4.144 1 2 -5.62399727257339 885935 CC1=CC(=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)Cl 1 5.371 1 1 0.566960958619855 885928 COC1=CC=CC=C1CNC(=O)CCCC2=CC=CC=C2 1 3.552 1 2 -14.5390168364742 885923 C1=CC(=CC=C1NC(=O)CCC(=O)O)OCC(=O)O 1 0.26 1 6 0 -13.1263960503802 885921 CC(=O)NC1=CC=CC=C1NC(=O)C(F)(F)F 1 1.159 2 2 0 -7.2704665410544 885919 CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)Cl 1 5.315 2 1 1.04728638167814 885906 COCC(=O)NC1=CC(=CC(=C1)OC)OC 1 0.654 1 4 0 -8.78897299643606 885905 CC1=CC(=C(C=C1)C(=O)NN2C=NN=C2)Cl 1 1.383 4 1 0 -1.92779973909668 885902 C1COCCN1CCNC(=O)CCCC2=CC=CC=C2 1 1.811 2 2 0 -14.2438721024383 885894 C1=CC=C(C=C1)CCCC(=O)NCC2=CC=C(C=C2)F 1 3.774 1 1 -11.2666753272831 885892 CC1=CC(=C(C=C1)C(=O)NCCN2CCOCC2)Cl 1 2.015 2 2 -5.48297212333012 885889 C1=CC=C(C=C1)CCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.456 2 3 -8.81421744397149 885873 CCCC(=O)NC1=CC=CC=C1NC(=O)C 1 1.193 2 2 0 -13.6373479437737 885871 COC1=CC(=CC(=C1)NC(=O)C(F)(F)F)OC 1 2.005 1 3 -6.14247302352676 885868 CC1=C(C=CC(=C1)Cl)NC(=O)C(C)C 1 3.23 1 1 -7.80561299952003 885819 COCC(=O)NC1=CC(=C(C=C1OC)Cl)OC 1 1.318 1 4 0 -11.4971542468861 885815 C1=CC=C(C=C1)CCCC(=O)NCC2=CC=CC=C2Cl 1 4.233 1 1 -13.3754322267476 885813 COC1=C(C=C(C=C1)CCNC(=O)CCCC2=CC=CC=C2)OC 1 3.857 1 3 -15.7980797783957 885808 C1CCN(C1)C(=O)COC2=C(C=C(C=C2)Br)Cl 1 2.953 1 2 -4.15676102389033 885806 C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)N3C(=O)C=CC3=O 1 2.207 2 3 -3.78256020577232 885804 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC 1 2.06 1 4 -17.4168221238179 885803 CC(=O)NC1=CC=CC=C1NC(=O)COC 1 -0.193 2 3 0 -10.114678879779 885802 CC1=CC=C(C=C1)/C=C\2/C(=O)SC(=N2)SC 1 3.894 1 1 -7.81179646382289 885771 COCC(=O)NC1=CC=CC=C1C2=CC=CC=C2 1 2.205 1 2 -0.923271557323694 885768 CC(C)C(=O)NC1=CC(=CC(=C1)OC)OC 1 2.047 1 3 -11.9271763716497 885767 CC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)Cl 1 3.551 1 3 -4.34769639637917 885766 CC(C)(C)C(=O)NC1=C(C=C(C=N1)C(F)(F)F)Cl 1 3.491 2 1 -4.18263384671616 885750 CC1=CC=CC(=C1)C2=NN=C(N2N)SC 1 2.196 4 0 0.65973455385196 885723 COCC(=O)NC1=CC=CC(=C1)C(F)(F)F 1 1.629 1 2 0 -1.22997993311462 885713 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C(Cl)Cl 1 3.695 2 1 -4.17854026485708 885708 COCC(=O)NC1=CC=CC=C1Br 1 1.435 1 2 0 -7.07603355564599 885698 COC1=CC=C(C=C1)CCNC(=O)CCCC2=CC=CC=C2 1 3.873 1 2 -12.0786252857947 885686 CN(C)C1=CC=C(C=C1)NC(=O)COC 1 0.849 2 2 0 -8.25707890135201 885646 CC1=CC(=C(C=C1)C(=O)NC2CCCCCCC2)Cl 1 4.959 1 1 -2.30112722311612 885644 CC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 1 2.732 2 1 -8.96400705645677 885680 CCN(CC)C(=O)COC1=C(C=C(C=C1)Br)Cl 1 3.189 1 2 -6.42228536057494 885679 COC1=CC=C(C=C1)/C=C/C=C\2/C(=O)SC(=N2)SC 1 3.859 1 2 -0.658793481397992 885672 COCC(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2 1 2.254 1 3 -6.36191734329509 885668 COCC(=O)NCC1=CC2=C(C=C1)OCO2 1 0.461 1 4 0 -11.235369542875 885660 C1=COC(=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)Cl 1 3.412 2 3 -5.88164779631869 885659 CCCC(=O)NCC1=CC=CC=C1Cl 1 2.744 1 1 -15.6646773334678 885656 CC1(CC(CC(N1)(C)C)NC(=O)C(Cl)(Cl)Cl)C 1 1.792 2 1 0 -13.5241854832128 885627 CC1=CC=C(S1)/C=C\2/C(=O)N=C(N2C)N 1 1.096 3 1 0 3.38577803493992e-002 885592 CC1=CC(=NC=C1)NC(=O)CCCC2=CC=CC=C2 1 3.436 2 1 -5.81487674783507 885625 COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)SC(=N2)SC 1 3.263 1 3 -11.8041994708012 885617 CC1=C(C=CC(=C1)Br)NC(=O)COC 1 1.921 1 2 0 -8.01409154704666 866545 COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CN=CC=C4 1 1.968 6 1 0 0.103597277386753 866540 CN(C)CCNC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl 1 2.355 6 0 5.00165631299239 866521 C1CN(CCC12OCCO2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5 1 1.822 5 2 0 0.72360804437821 866519 C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3C=NN4C5=CC=CC=C5 1 2.903 5 2 0 0.728010456686989 866512 C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CN=CC=C4 1 1.984 6 0 0 -0.247323250581519 866511 C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=CC=N4 1 2.2 6 0 1.55205804677425 866503 COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCCCC4 1 2.658 5 1 4.43169429117393 866500 CN(C1CCCCC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC 1 3.599 5 1 -0.880774130700382 866494 COC1=CC(=C(C=C1)OC)NC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 3.095 5 2 0 4.54438144846149 866481 CCOC1=CC=CC=C1NC2=NC=NC3=C2C=NN3C4=CC=CC=C4 1 3.461 5 1 3.30471924028424 866476 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)F 1 3.82 5 0 10.7858869126924 866473 CC1=CC(=NO1)C(=O)NC2=C(C3=C(S2)CCC3)C#N 1 2.235 3 2 -24.3814540961161 866472 CC1=CC(=NO1)C(=O)NC2=CN=CC=C2 1 0.492 3 2 0 -11.1585790463253 866470 CC1=CC=C(O1)C2=C3C(=C(SC3=NC4=C2CCCC4)C(=O)N)N 1 2.866 3 2 -3.1327805935747 866437 CC1=CC=CC=C1N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C 1 1.289 3 3 0 -9.10489227668373 866435 CC1=CC=CC(=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C 1 2.308 3 3 -8.64330506571299 866434 CC1=CC=CC=C1C(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C 1 2.308 3 3 -11.4561534216081 866431 CC1=CC(=NO1)C(=O)NCC2=CN=CC=C2 1 0.499 3 2 0 -16.3561330805483 866422 CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=CO4)C 1 3.289 5 1 -0.827854341064199 866420 CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4CCCCC4 1 3.896 5 0 3.85537587694315 866407 CC(C)NC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl 1 2.942 5 0 2.79858664458584 866396 COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCN3CCOCC3 1 1.823 3 4 0 -12.0466103458142 866393 CCN(CC)CCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S 1 2.896 3 3 -8.99330898377478 866389 C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=CS3 1 3.465 2 1 -4.45744461223875 866388 CCN(CC)CCCN1C(=O)C2=CC=CC=C2NC1=S 1 3.04 3 1 -5.14464154521494 866387 CN(C)CCN1C(=O)C2=CC=CC=C2NC1=S 1 2.28 3 1 -5.24111875158648 866383 COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=CO3)OC 1 2.874 2 4 -6.74853586125127 866382 COC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2)N 1 2.963 2 2 -5.08719135465674 866380 C1COCCN1C(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N 1 2.21 3 2 -8.14258645717079 866378 C1CCN(CC1)C(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N 1 3.439 3 1 -6.5742900073952 866376 COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3)OC 1 3.692 2 3 -4.81417582893142 866375 C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)NCC3=CC=CO3 1 2.536 3 3 -18.6145933615573 866374 C1CCC(CC1)NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S 1 3.629 3 2 -14.4974704733094 866373 CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCC3 1 3.694 2 3 -23.1824444258373 866369 CSC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3 1 4.094 2 1 -12.457078681639 866368 C=CCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S 1 3.507 2 1 -7.15258528284534 866363 C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCN3C=CN=C3 1 1.946 4 1 0 -1.36248354700179 866361 C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4NC3=S 1 3.493 2 3 -4.43687756194056 866360 COC1=CC=CC=C1CN2C(=O)C3=CC=CC=C3NC2=S 1 3.709 2 2 -6.01774831797524 866327 COC1=CC=CC=C1N2C=C(NC2=S)C3=CC=CC=C3 1 3.818 2 1 -1.94892774292914 866310 COC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.471 2 4 -7.63693459410762 866307 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3 1 2.716 2 2 -6.64695443672989 866305 CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(=O)N3 1 0.337 3 4 0 -23.113564853987 866294 CCN1C=NC2=C1C=CC(=C2)NCC3=CC=CS3 1 3.032 3 0 -5.2574327682639 866293 CN1C=NC2=C1C=CC(=C2)NCC3=CC=CS3 1 2.683 3 0 -2.51428946506654 866291 CCN1C=NC2=C1C=CC(=C2)NCC3=CC=NC=C3 1 2.141 4 0 -2.97682130904212 866279 CCN1C=NC2=C1C=CC(=C2)NCC3=C(C(=CC=C3)OC)O 1 3.034 3 2 -0.232102086828954 866275 CN1C=NC2=C1C=CC(=C2)NCC3=CC=CC=C3Cl 1 3.608 3 0 -0.462210736655413 866273 CN1C=NC2=C1C=CC(=C2)NCC3=CC=C(C=C3)N(C)C 1 3.105 4 0 -2.37095993368139 866272 CCN1C=NC2=C1C=CC(=C2)NCC3=CC=C(C=C3)OC 1 3.276 3 1 -2.86578306741023 866271 CCN1C=NC2=C1C=CC(=C2)NCC3=CC=C(C=C3)Cl 1 3.956 3 0 -0.630818167679275 866270 CCN1C=NC2=C1C=CC(=C2)NCC3=CC=C(C=C3)Br 1 4.04 3 0 -2.08747791278071 866269 CCN1C=NC2=C1C=CC(=C2)NCC3=CC=C(C=C3)C 1 3.778 3 0 -2.45281685826609 866268 CC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C=N3)C 1 3.429 3 0 0.290326444931263 866267 CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N(C)CC2=CC=CC=C2 1 -9.4e-002 3 4 0 -13.9307687360701 866253 CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCC3=CC=CO3 1 1.137 2 4 0 -13.2667087242021 866252 CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)NC3CCCC3 1 1.774 2 3 0 -9.09945293925708 866249 CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCC3=CN=CC=C3 1 0.804 3 3 0 -13.6361114500689 866247 CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCOCC3 1 0.265 2 4 0 -10.3704951460816 866246 CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCC3 1 1.038 2 3 0 -8.44773018213791 866212 COC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CN=CC=C4 1 2.519 4 1 -5.65275844608416 866200 C1=CC=C2C(=C1)C=CC=C2OCC3=NN=C(O3)SCC(=O)O 1 2.437 2 4 -17.0807809537331 866190 COC1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3 1 2.047 5 2 0 -11.0291774124408 866174 C1=CC(=CN=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=NC=C4 1 1.295 5 0 0 -3.64648671701431 866161 CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CC=C3)C4=CC=NC=C4 1 2.792 4 0 -2.99633590092338 866160 CC1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC=NC=C4 1 1.185 5 0 0 -5.37787338922885 866157 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-10.5560814273464 863161 CC1=NC(=NC=C1)SCC(=O)NC2=CC=C(C=C2)OC 1 2.016 3 2 -12.516457250945 863132 CC1=CC(=CC(=C1)NC(=O)CCC(=O)NC2=NOC(=C2)C)C 1 2.061 3 3 -16.2998105007596 863092 C1CCC(CC1)C(=O)NNC(=O)CCN2C3=CC=CC=C3N=N2 1 2.244 5 2 0 -16.5525364983582 863091 CC(=O)NNC(=O)CCN1C2=CC=CC=C2N=N1 1 0.118 5 2 0 -17.050094452782 863081 CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3N=N2 1 2.729 4 3 0 -18.551643795665 863078 CC1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3N=N2 1 3.011 4 1 -14.129236887108 863074 CC1=CC(=C(C=C1)NC(=O)CCN2C3=CC=CC=C3N=N2)C 1 3.497 4 1 -16.891577984087 863062 CC1=CC=C(C=C1)C(=O)NNC(=O)CCN2C3=CC=CC=C3N=N2 1 2.268 5 2 0 -17.7878908199488 863036 CC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3N=N2 1 2.763 4 1 -14.7494523640977 863032 C1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=N2 1 1.823 4 1 0 -13.4633134835185 863021 CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3N=N2 1 2.763 4 1 -10.2260952642886 863010 CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2N3C=NN=N3)OC)OC 1 1.954 5 3 0 -17.8398135130399 863008 CC1=CC=C(C=C1)C(=O)NNC(=O)CN2C3=CC=CC=C3N=N2 1 2.02 5 2 0 -15.4787622320793 862963 CCN1C(=NN=C1SCC)COC2=CC=CC=C2 1 2.941 3 1 -8.20266194905022 862940 CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC=C(C=C2)C 1 2.852 3 3 -7.13291633202235 862926 CC1=CC=CC(=C1)C(=O)NNC(=O)CCN2C3=CC=CC=C3N=N2 1 2.268 5 2 0 -17.7074341722156 862923 CC(=O)NC1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3N=N2 1 1.645 5 2 0 -17.3191546238612 862915 CC1=CC2=NC(=C(C=C2C(=C1)C)C)SCC(=O)NCC3=CC=CO3 1 4.38 2 2 -12.2197070967675 862765 CN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)C3=CC=CO3 1 3.143 2 3 -0.128328999031815 862743 CCC(=O)N(CC1=CC(=O)NC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 2.773 2 3 -10.0038703899117 862742 CC(=O)N(CC1=CC(=O)NC2=CC=CC=C21)C3=CC=C(C=C3)OC 1 2.106 2 3 -8.70998083689628 862712 CCC(=O)N(CC1=CC=CO1)C2=NC(=CS2)C3=CC=C(C=C3)OC 1 3.516 2 3 -2.10220858550338 862702 CCN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)C3=CC=CS3 1 4.05 2 2 -3.78658704800465 862698 CCN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)C3=CC=CO3 1 3.492 2 3 -2.363679560369 862691 CN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)C3=CC=CS3 1 3.701 2 2 -1.94316692652069 862685 CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=S)NC)C 1 4.534 3 1 -11.708738539267 862680 CCN(CC)C(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3 1 2.72 5 1 -12.6830301229705 862679 CNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3 1 1.817 5 1 0 -9.49037749876859 862674 CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3CCCC3)C 1 3.286 3 1 -15.0555261253743 862401 CC1=C(N=C2C=CC(=CC2=C1)OC)SCC(=O)NC3CCCC3 1 4.028 2 2 -9.24057248356533 862370 COC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)N3CCCC3 1 1.758 3 4 0 -18.8333285063162 862340 CC1=CC(=CC(=C1)OCC2=NN=C(O2)SCC(=O)OC(C)C)C 1 3.453 2 4 -19.2353740741469 862318 C1COCCN1CCSC2=NN=C(O2)COC3=CC=C(C=C3)F 1 2.079 3 3 -12.2070526773846 862301 C1CCN(C1)C(=O)CSC2=NN=C(O2)COC3=CC=CC=C3 1 1.774 3 3 0 -18.7633197379414 862298 CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC(=O)N3CCCC3 1 2.26 3 3 -17.1832429368338 862270 COC1=CC=CC=C1OCC2=NN=C(O2)SCC(=O)N3CCCC3 1 1.758 3 4 0 -22.1938446447355 862265 CCOC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NCC3=CC=CC=C3 1 2.481 5 2 0 -10.0292624783519 862194 C1CC2=C(C3=CC=CC=C3N=C2C1)C(=O)NCC4=CC=CO4 1 3.053 2 2 -8.21330899204571 862182 COC1=CC(=CC(=C1)NC(=O)C2=C3CCCC3=NC4=CC=CC=C42)OC 1 3.832 2 3 -7.00832621570554 862174 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)N 1 0.482 3 3 0 -2.44152315224664 862152 C1=CC(=CC(=C1)N2C=NN=N2)C(=O)NC3=CC=C(C=C3)Br 1 2.249 5 1 -16.1923253433959 862139 COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)N3C=NN=N3 1 2.149 5 2 0 -16.9883817862763 862125 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC=CN=C3 1 0.776 4 3 0 -21.7265329022627 862124 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC=CN=C3 1 0.32 4 3 0 -21.3720643880947 862121 COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC=CN=C3 1 1.351 4 2 0 -7.00066309239854 862120 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=NC=CN=C3 1 1.206 4 1 0 -5.01830999286413 862116 C1CN(C2=CC=CC=C21)C(=O)C3=NC=CN=C3 1 1.022 3 1 0 -13.459117124814 862108 C1=CC(=CC=C1CNC(=O)C2=NC=CN=C2)F 1 0.954 3 1 0 -9.94714833287865 862107 COC(=O)C1=CC(=CC=C1)NC(=O)C2=NC=CN=C2 1 0.597 3 3 0 -11.2888649712413 862105 CC(=O)C1=CC(=CC=C1)NC(=O)C2=NC=CN=C2 1 0.481 3 2 0 -9.95858050650556 862103 C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=NC=CN=C3 1 2.302 3 2 -8.58584957167569 862101 CCOC1=CC=C(C=C1)NC(=O)C2=NC=CN=C2 1 1.074 3 2 0 -8.56680594423661 862099 CCOC1=CC=CC=C1NC(=O)C2=NC=CN=C2 1 1.074 3 2 0 -11.6222722850423 862098 COC1=C(C=C(C=C1)Cl)NC(=O)C2=NC=CN=C2 1 1.389 3 2 0 -7.67849617655773 862085 CC1=CC=C(C=C1)C(=O)CN2N=C(N=N2)C3=CC=CS3 1 3.2 4 1 -4.28130141097481 862083 C1=CSC(=C1)C2=NN(N=N2)CC(=O)O 1 0.94 4 2 0 -6.52510704603526 862079 C1=COC(=C1)CNC(=O)CN2N=C(N=N2)C3=CC=CS3 1 1.283 5 2 0 -14.8479449555702 862074 C1=CC=C(C=C1)CNC(=O)CN2N=C(N=N2)C3=CC=CS3 1 2.101 5 1 -13.5092731858072 862058 COC(=O)C1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CS3 1 1.95 5 3 0 -9.29331438588038 862032 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=N3 1 2.037 3 3 -17.8653363882814 862031 C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)F 1 2.315 1 4 -5.10559453583875 861969 CC1=CC2=C(C=C1C)N(C=N2)CCC(=O)NC3CCCC3 1 3.233 3 1 -11.0632266037822 861963 CC1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2C=C(C(=C3)C)C 1 3.894 3 1 -8.2142234661964 861949 CCC(=O)N(CC)C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC 1 3.083 2 3 -5.32881165763533 861942 CN(C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)C(=O)C3=CC=CO3 1 3.127 2 4 -3.03073002496631 861930 CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C 1 0.24 5 2 0 -21.2126734167383 861929 CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=CN2C 1 1.323 4 3 0 -25.5856208925457 861927 CN1C=NN=C1SCC(=O)NC2=NC(=CS2)C3=CC=CC=C3 1 2.063 5 1 -14.0681663215398 861925 CN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CC=C(C=C3)OC 1 2.853 4 2 -13.899995103865 861916 C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.572 3 3 -15.9758503369667 861915 CCN(CC)C(=O)CSC1=NN=C(O1)C2=CC=CO2 1 1.571 3 3 0 -16.2603701609342 861903 COC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C3=CC=CO3 1 2.847 2 4 -6.91867838600571 861897 C1CC1C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4 1 2.42 2 3 0.177439696805005 861892 CC(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCO3 1 1.662 2 3 0 0.568907791302599 861889 CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3CCCC3)C 1 4.531 2 1 -8.72107143979447 861833 CC1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)C3=CC=CO3 1 2.73 3 3 -6.78212305442464 861821 CCOC1=CC=C(C=C1)CNC(=O)C2=CC=CO2 1 2.349 1 3 -7.92624922155264 861805 CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCOCC2 1 6.4e-002 4 4 0 -15.3915903321713 861754 CCN1C(=NN=C1SCC(=O)N(CC)CC)COC2=CC=CC=C2 1 2.555 4 2 -19.4022483612633 861750 CNC(=O)CSC1=NN=C(N1C)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.197 5 4 0 -16.7612462727889 861746 CN1C(=NN=C1SCC(=O)NC2CCCC2)COC3=CC=CC=C3 1 2.705 4 2 -17.0215566081491 861745 CCN(CC)C(=O)CSC1=NN=C2N1C3=CC=CC=C3C(=C2)C 1 3.474 4 1 -17.8785902304283 861738 CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3CCCC3 1 4.045 2 1 -7.34565527179076 861737 CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3CCCC3 1 3.356 4 1 -13.4870288947209 861734 CC1=CN2C(=NC(=C2NC3CCCC3)C4=CN=CC=C4)C=C1 1 3.602 4 0 -2.89870202012914 861730 CC1=CN2C(=NC(=C2NC3CCCC3)C4=CC=CC=N4)C=C1 1 4.031 4 0 -1.89967660236689 861728 C1CCC(C1)NC2=C(N=C3N2C=CC=C3)C4=CC=CC=N4 1 3.545 4 0 -3.25524521805976 861681 CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CN=CC=C4)C=C1 1 4.059 4 0 -3.25317053429722 861664 CC1=CN2C(=NC(=C2NC3CCCC3)C4=CC=NC=C4)C=C1 1 3.602 4 0 -0.306268644814184 861662 CC1=CC=CC=C1C2=NN=C(O2)SCC(=O)NC3CCCC3 1 3.16 3 2 -15.0503257840055 861657 CC1=CC=CC=C1C2=NN=C(O2)SCC(=O)N3CCCC3 1 2.425 3 2 -12.8823214325734 861643 CC1=CC=CC(=C1)C2=NN=C(O2)SCC(=O)NC3CCCC3 1 3.16 3 2 -10.5475300917816 861642 CC1=CC=CC(=C1)C2=NN=C(O2)SCC(=O)N3CCCC3 1 2.425 3 2 -8.37952574034946 861616 C1CCC(C1)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3 1 2.674 3 2 -13.928142838427 861612 C1CCN(C1)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3 1 1.939 3 2 0 -11.7601384869949 861583 CN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC=CO3 1 3.159 2 2 -0.287273432727656 861512 C1CCN(C1)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3Cl 1 2.603 3 2 -12.4159546022826 861493 C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O 1 1.733 1 6 0 -8.3583151167514 861458 CN1C(=NN=N1)SCC2=CC=C(C=C2)[N+](=O)[O-] 1 1.701 5 2 0 -16.2545356733974 861432 C1CSC(=N1)SCC(=O)N2CCOCC2 1 0.813 2 2 0 -16.4102737588812 861423 C1CSC(=N1)SCC(=O)NC2=CC(=CC=C2)F 1 2.701 2 1 -11.6350130084188 861422 C1CSC(=N1)SCC(=O)NC2=CC=C(C=C2)F 1 2.701 2 1 -12.714141648584 861385 C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 1.03 5 2 0 -18.7063518354217 861294 C1CCN(CC1)CC2=NN=NN2C3CCCC3 1 1.726 5 0 0 -17.8577561204846 861220 CN1C(=NN=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3 1 0.628 5 3 0 -22.1707481204671 861219 CN1C(=NN=N1)SCC(=O)NC2=CC3=C(C=C2)OCCO3 1 0.646 5 3 0 -23.6160492740356 861216 CN1C(=NN=N1)SCC(=O)N2CCC3=CC=CC=C32 1 1.14 5 1 0 -23.413941480724 861215 CN1C(=NN=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC 1 1.469 6 2 0 -18.7185898771688 861214 CN1C(=NN=N1)SCC(=O)NC2=NC3=CC=CC=C3S2 1 1.485 6 1 0 -16.8694920615242 861211 CN1C(=NN=N1)SCC(=O)NC2CCCC2 1 0.685 5 1 0 -22.4436730275257 861153 C1CN(CCN1CC(=O)NC2=NC=CS2)C3=CC=C(C=C3)F 1 1.788 4 1 0 -2.27117135782132 861149 COC1=CC=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F 1 2.775 3 2 -0.432896195384584 861148 COC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F 1 2.775 3 2 -3.9083501284834 861143 C1CN(CCN1CC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)F 1 2.791 3 1 -0.533289519301458 861136 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(C)C3CCCCC3 1 2.17 5 2 0 -4.37088853381339 861130 CC1CCN(CC1)C(=O)CN2N=C(N=N2)C3=CC=C(O3)C 1 1.48 5 2 0 -8.57448542156945 861128 CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N3CCCCC3 1 1.228 5 2 0 -5.88537581766502 861110 COC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)F 1 3.394 2 2 1.16674209050856 861109 CC1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F 1 3.284 3 1 -4.85581831503493 861066 CCN1C2=CC=CC=C2N=C1SCC(=O)N3CCOCC3 1 1.937 3 2 0 -13.3581151366921 861048 CC1=CC=CC2=NC(=C(N12)NCCC(C)C)C3=CN=CC=C3 1 3.577 4 0 -6.19604460114072 861018 CC(C)CCNC1=C(N=C2N1C=CC=C2)C3=CC=CS3 1 4.399 3 0 -8.55629567978555 860956 CN(C1CCCCC1)C(=O)CN2N=C(N=N2)C3=CN=CC=C3 1 1.478 6 1 0 -7.69262733455782 860913 CC1=C(C2=CC=CC=C2C=C1)NC(=O)CN3N=C(N=N3)C4=CN=CC=C4 1 2.385 6 1 0 -3.76501072728119 860860 C1=CC=C(C=C1)C(=O)COC(=O)CN2N=C(N=N2)C3=CC=CC=C3F 1 2.673 4 3 0 -8.8814349080678 860859 C1=CC=C(C=C1)C(=O)COC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)F 1 2.673 4 3 0 -6.42597553426602 860841 C1=CC=C2C(=C1)N=C(S2)CN3N=C(N=N3)C4=CC=C(C=C4)Cl 1 4.03 5 0 6.06906656438051 860839 COC1=CC=CC(=C1)C2=NN(N=N2)CCC3=NNN=N3 1 1.058 8 1 0 1.50998685681951 860833 COC1=CC=C(C=C1)C2=NN(N=N2)CCC(=O)O 1 1.218 4 3 0 -3.74835926238377 860743 CN1C=C(C2=CC=CC=C21)C3=NN=C(O3)C4=CC=CC=C4 1 3.553 3 1 2.24658049519088 860734 C1=CC(=CC=C1N2C(=NN=C2SCC(=O)N)C3=CC=NC=C3)Cl 1 2.352 5 1 -6.32712191370782 860666 CCC(=O)N(CCC1=CC=CC=C1)CC2=CC3=C(C=CC(=C3)C)NC2=O 1 3.603 2 2 -10.0352706781176 860630 CCN1C(=NN=C1SCC(=O)OC)C2=CC=CC=C2 1 2.464 3 2 -11.8460833788235 860622 CC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CN=CC=C3 1 2.688 3 2 -11.5311739225442 860619 CC1=CC=C(O1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CC=C4)OC 1 2.915 3 2 -0.996900083059641 860617 CC(C)CNS(=O)(=O)C1=CC=C(C=C1)N 1 1.186 2 2 0 -6.14008317941186 860582 C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 1.65 3 3 0 -12.0061379881943 860547 CC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)C3=CN=CC=C3 1 2.184 4 2 -11.513823909264 860541 C1CCC(C1)CCC(=O)NC2=NN=C(S2)C3=CC4=C(C=C3)OCO4 1 3.489 3 3 -13.1058123913018 860519 C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)NC(=O)C3=NC=CN=C3 1 0.921 4 3 0 -8.6125434581963 860509 C1=CC=C(C(=C1)C2=NN=C(S2)NC(=O)C3=CN=CC=C3)F 1 2.068 4 1 -9.91511384421245 860501 C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=NC=CN=C3 1 1.175 5 1 0 -15.0772918751196 860498 C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CN=CC=C3 1 1.897 4 1 0 -13.814869718864 860474 CN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=CS3 1 2.088 4 1 -14.4185806666209 860469 CN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=CC=CS3 1 2.186 4 2 -19.5584689891675 860465 CC(C)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2 1 2.001 2 4 -13.794524639031 860463 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2 1 1.293 2 4 0 -9.82120745586536 860458 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NNC(=S)O3 1 2.577 3 3 -18.3035342808638 860457 CSC1=NN=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 1 2.246 3 3 -15.5542228719384 860451 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=NC=CN=C2 1 0.556 4 3 0 -17.4005398665395 860408 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NNC(=S)O3 1 2.121 3 3 -17.9490657666957 860395 C1=CSC(=C1)C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)O 1 3.751 1 2 -1.06423454880197 860355 CC1=CC2=CC(=C(C=C2N=C1SCC(=O)NC3=NOC(=C3)C)C)C 1 4.33 3 2 -17.0519249759834 860331 CC1=CC2=CC=CC=C2N=C1SCC(=O)NC3CCCC3 1 4.045 2 1 -9.73043540712173 860326 CC1=CC2=CC=CC=C2N=C1SCC(=O)NC3CCCCC3 1 4.501 2 1 -10.0849039212898 860305 CCOC(=O)CNC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=CC=C3 1 3.585 3 2 -4.64236718745385 860281 CC(C)(C)NC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)O 1 4.218 3 1 0.466154981702781 860222 CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC)CC 1 2.548 3 2 -21.9387819438574 860223 C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N 1 2.995 3 2 -16.3664669038894 860225 CC1=CC=C(O1)C2=C3C=C(C=CC3=NC(=NN2)C4=CN=CC=C4)OC 1 1.764 4 2 0 -2.58843348764076 860240 CN1C(=NN=C1SCC(=O)OC)C2=CN=CC=C2 1 0.964 4 2 0 -13.2494848454407 860274 CC(C)(C)NC1=C(N=C2N1C=CC=C2)C3=CC=CS3 1 3.749 3 0 -7.9142840928168 860258 CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC=CO3 1 2.768 4 2 -14.1278498116229 860215 C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(O3)C4=CC=CS4 1 3.083 3 2 -20.4812495170632 860214 CC1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=CC=CS3 1 2.6 3 2 -20.2137266869625 860211 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=NN=C(O2)SC 1 2.027 3 3 -11.2282298362152 860210 COC1=CC=C(C=C1)C2=NC(=S)C3=C(N2)C4=CC=CC=C4C=C3 1 4.284 2 1 1.08805452005629 860197 CC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)[N+](=O)[O-] 1 2.513 3 3 -5.72261840744916 860187 CCOC(=O)C1=CN2C=CC(=CC2=N1)C 1 1.689 2 2 0 -6.7848019036556 860185 CN1C(=NN=C1SCC(=O)NCC2=CC=CS2)C3=CC=CO3 1 2.186 4 2 -16.7528402608862 860181 CN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=CC=CO3 1 2.442 4 2 -11.2726552848731 860179 CN1C(=NN=C1SCC(=O)NC2=NC=CS2)C3=CC=CO3 1 1.437 5 2 0 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C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=CC(=O)N3 1 0.876 3 4 0 -17.8142747574354 860063 COC1=CC=CC=C1NC(=O)CSC2=NC=CC(=O)N2 1 1.074 3 3 0 -16.9441187861604 860043 CC1=CC=C(C=C1)C2=NN(N=N2)CCC(=O)NC(C)(C)C 1 2.23 5 1 -9.78915028884528 859976 CCN1C(=NNC1=S)CN2N=C(N=N2)C3=CC=CC=C3 1 1.977 7 0 0 -3.11646584533507 859938 C1=CC(=CN=C1)CSC2=NN=C(O2)C3=CC=C(C=C3)F 1 2.85 3 1 -5.56414935239689 859932 C1CCN(C1)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)F 1 2.144 3 2 -10.5737450452144 859923 C1CCC(C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)F 1 2.88 3 2 -12.7417493966465 859908 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 1.222 2 4 0 -19.9420855525327 859907 CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 0.525 2 4 0 -15.5001964017007 859898 CNC(=O)CSC1=NN=C(O1)C2=CC=CS2 1 1.225 3 2 0 -17.4716788095734 859889 C1COCCN1C(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)F 1 1.371 3 3 0 -10.2100929906861 859877 C1CCC(C1)NC(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)F 1 2.88 3 2 -10.4553323781746 859872 C1CCN(C1)C(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)F 1 2.144 3 2 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CC1=NNC(=NC1=O)SCC(=O)NC2=CC3=C(C=C2)OCO3 1 0.956 4 4 0 -18.5189961495292 859748 CC1=NNC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)NC(=O)C 1 0.308 5 3 0 -18.7523443210206 859742 CC1=CC=CC=C1NC(=O)CSC2=NC(=O)C(=NN2)C 1 1.674 4 2 0 -18.3154159545934 859739 CC1=NNC(=NC1=O)SCC(=O)NC2CCCCC2 1 1.47 4 2 0 -19.1463895707558 859734 CC1=NNC(=NC1=O)SCC(=O)NCC2=CC=CC=C2 1 1.195 4 2 0 -20.2523051143965 859729 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=O)C(=NN2)C 1 2.16 4 2 -17.9702502598818 859718 CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)N)N 1 1.742 5 2 0 -8.84409652331157 859708 COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCOCC3 1 0.737 5 3 0 -23.2231296331862 859697 CCOC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCOCC3 1 1.086 5 3 0 -23.9893527848942 859695 CCOC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3CCCC3 1 2.594 5 2 0 -24.2345921723826 859681 CC1=NNC(=NC1=O)SCC(=O)NC2=CC=CC=C2 1 1.188 4 2 0 -15.7190807226407 859642 CC1=CC2=C(C=C1)C(=CC3=CC=CC=C3O2)C(=O)O 1 3.622 0 3 -4.28173446018415 859639 CCC1=CC(=C(S1)NC(=O)CCl)C(=O)C2=CC=C(C=C2)C 1 3.972 1 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2 -13.1593375364697 858781 CC(=O)C1=CC2=C(C=C1NS(=O)(=O)C3=CC=C(C=C3)F)OCO2 1 2.031 1 5 -7.05531115601944 858780 CC(=O)C1=CC2=C(C=C1NS(=O)(=O)C3=CC=C(C=C3)OC)OCO2 1 1.809 1 6 0 -8.18015439062883 858779 CC(=O)C1=CC2=C(C=C1NS(=O)(=O)C3=CC=CC=C3F)OCO2 1 2.031 1 5 -9.66112232517971 858778 CC(=O)C1=CC2=C(C=C1NS(=O)(=O)C3=CC=CC=C3)OCO2 1 1.825 1 5 0 -8.66319782072085 858777 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)C)OCO3 1 2.311 1 5 -7.76718818148469 858770 CC(=O)C1=CC2=C(C=C1NC(=O)C3CC3)OCO2 1 1.216 1 4 0 -8.23156357995859 858754 CC1=CC=C(C=C1)N2C(=NNC2=S)CNC3=CC(=C(C=C3)C)Cl 1 4.975 4 0 -4.61020900084348 858753 CC1=C(C=C(C=C1)NCC2=NNC(=S)N2CC3=CC=CC=C3)Cl 1 4.496 4 0 -3.36300768492668 858723 CC1=CC(=NO1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3N 1 0.533 7 2 0 -13.1627755664567 858716 C1CC2=CC=CC=C2N(C1)C(=O)CN3N=C(N=N3)C4=CC=CC=C4N 1 2.131 6 1 0 -9.48096047996669 858675 CCC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCN(CC4)C(=O)C 1 3.036 4 1 -9.65190812396173 858665 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CC3 1 1.933 2 3 0 -18.4661625807407 858648 CCC1=C(NC(=NC1=O)SCC(=O)NC2CCCC2)C 1 2.332 3 2 -20.1320759621082 858633 CCC1=C(NC(=NC1=O)SCC(=O)N2CCCCC2)C 1 2.053 3 2 -18.3185401248442 858548 CCC1=C(NC(=NC1=O)SCC2=CC=CC=N2)C 1 2.518 3 1 -11.4897228938373 858534 CCC1=C(NC(=NC1=O)SCC2=CN=CC=C2)C 1 2.303 3 1 -13.8082076242771 858525 CCC1=C(NC(=NC1=O)SCC(=O)NNC(=O)C2=CC=CO2)C 1 1.159 4 4 0 -19.8360649443745 858519 CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC3=CC=CC=C3)C(=O)C 1 2.936 2 2 -7.37894651691227 858510 CCC(=O)N(CCC1=CC=CC=C1)CC2=CC3=C(C(=CC=C3)C)NC2=O 1 3.603 2 2 -9.56624324038211 858465 CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NOC(=C3)C)C 1 2.547 6 2 0 -27.7614065735555 858458 CC1=CC(=CC(=C1)N2C(=NN=N2)SCC(=O)N3CCOCC3)C 1 1.726 5 2 0 -21.9493951174198 858449 CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NOC(=C3)C)C 1 2.547 6 2 0 -30.3409882625853 858406 COC1=CC=CC=C1CNC(=O)CC2=CNC3=CC=CC=C32 1 2.933 2 2 -13.299030220938 858405 C1=CC=C2C(=C1)C(=CN2)CC(=O)NCC3=CC=CS3 1 2.689 2 1 -13.3215444958108 858362 CC1=CC(=C(S1)NC(=O)CN2CCOCC2)C(=O)C3=CC=CC=C3 1 1.98 2 3 0 -7.12266935127909 858337 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC2)C3=CC=C(C=C3)F 1 3.724 1 2 -10.685059488247 858317 CC1=CC=C(C=C1)NC2=NC(=NS2)CC(=O)C 1 1.965 3 1 0 0.188236175490705 858314 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC3 1 0.905 2 4 0 -22.0148359322461 858303 C1COC2=C(O1)C=CC(=C2)N3C(=NN=N3)SCC(=O)O 1 1.067 4 4 0 -22.1350966696465 858302 COC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)O 1 1.249 4 4 0 -21.1532765471133 858301 CCOC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)OCC)C 1 2.85 2 3 -6.62038866206106 858296 CC1=C(C=CC(=C1)N)NC(=O)CN2CCCC2 1 1.157 3 1 0 -6.58057963290463 858281 C1=CC=C(C(=C1)C2=NN(N=N2)CC(=O)N)NC(=O)C3=NC=CN=C3 1 -0.729 8 2 0 -8.66717551564361 858213 COC(=O)C1=CC(=CC=C1)N2C(=S)N=NN2 1 3.18 4 2 -10.0220423119954 858202 C1=CSC(=C1)CNC(=O)NC2=CC=C(C=C2)Cl 1 2.934 2 1 -5.51930057222737 858201 C1=CC(=CC(=C1)Cl)NC(=O)NCC2=CC=CS2 1 2.934 2 1 -4.68982423263352 858197 C1=CC=C(C=C1)CNC(=O)NCC2=CC=CS2 1 2.276 2 1 -9.02091260908248 858196 C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3=CC=C(C=C3)F 1 2.503 2 3 -5.47642433239691 858195 C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3=CC(=CC=C3)Cl 1 2.962 2 3 -3.57927000537836 858192 C1CN(CCN1C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 2.788 3 1 -4.58432169412398 858191 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3 1 2.994 3 1 -3.31811001146826 858176 CCN1CCN(CC1)C(=O)NCC2=CC=CC=C2 1 1.465 3 1 0 -7.1495840939352 858165 C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=CC=C3 1 3.063 3 1 -5.82040733214458 858164 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC3CCCCC3)C 1 4.035 3 1 -2.28609004677746 858146 CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCC2 1 1.524 1 4 0 -14.8326103655575 858103 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)N3C=NN=N3)C 1 2.183 5 2 0 -13.982777935547 858019 C1=CC2=NC(=C(N2C=C1)NCC3=CC=CO3)C4=CC=C(C=C4)O 1 3.388 3 2 1.31668953021796 857997 C1OC2=C(O1)C=C(C=C2)CNC3=C(N=C4N3C=CC=C4)C5=CC=CC=C5 1 4.216 3 2 -1.53257370376127 857979 CC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3 1 3.944 2 2 -8.77698684136359 857972 CC(C)(C)C1=CSC(=N1)NC(=O)CC2=CC=CS2 1 3.429 2 1 -8.16649067073181 857951 CCN(C1=NN=C(S1)CN2C3=CC=CC=C3N=N2)C(=O)CC(C)C 1 2.941 6 1 0 -13.7050976509671 857938 CCC1=C(N=C2C=C(C=CC2=C1)C)SCC(=O)NC3CCCC3 1 4.987 2 1 -9.10453368447727 857648 CCC1=CC2=CC=CC=C2N=C1SCC(=O)NC3CCCC3 1 4.501 2 1 -10.1225051166957 857635 CCN(CC)CC(=O)NC1=C(C=C(S1)C)C(=O)C2=CC=CC=C2 1 2.99 2 2 -5.91593072617805 857634 CCN(CC)CC(=O)NC1=C(C=C(S1)C)C(=O)C2=CC=C(C=C2)C 1 3.476 2 2 -5.3085797530025 857613 CCN1C(=NN=C1SCC(=O)NC2=NOC(=C2)C)C3=CC=CO3 1 1.927 5 3 0 -19.8997944367519 857603 CCN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC=CO3 1 1.105 4 3 0 -13.625100409899 857598 CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=CO3 1 3.07 4 2 -14.2248083115555 857597 CCN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CC=CO3 1 2.614 4 2 -13.8703397973875 857589 CN1C(=NN=C1SCC(=O)OCC2=CC=CC=C2)C3=CC=CO3 1 3.094 3 3 -10.6640327610083 857583 CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)NC 1 1.832 5 1 0 -20.9277901571022 857577 CC1=C(SC2=C1C(=O)NC(=N2)C)C 1 1.247 2 1 0 -7.46517154073928 857565 CC1=C(C2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=NOC(=C3)C)C 1 4.33 3 2 -16.3607503753904 857564 CCC1=C(N=C2C(=CC=CC2=C1)C)SCC(=O)NC3=NOC(=C3)C 1 4.3 3 2 -17.0077308894878 857562 CC1=NC=C(N=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(C)C 1 1.127 4 3 0 -17.5630232022534 857559 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(C=N2)C 1 0.839 4 3 0 -19.7624464005231 857557 CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CO3 1 3.545 3 2 -4.65771165151783 857554 CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=CO3 1 3.059 3 2 -5.55075344555196 857537 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC)C(C)C 1 3.191 4 2 -16.6665365039242 857534 COC1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)N3CCCCC3 1 2.413 3 3 -19.8856169583518 857532 CCC1=C(N=C2C(=CC=CC2=C1)C)SCC(=O)NC3CCCC3 1 4.987 2 1 -10.6501417515679 857519 CCC1=CC2=CC(=CC(=C2N=C1SCC(=O)N3CCCC3)C)C 1 4.738 2 1 -8.25945307774899 857488 C1=CC=C(C=C1)CNC(=O)C2=CN=C(C=C2)Cl 1 2.344 2 1 -9.97342179742867 857477 C1=CC=C(C=C1)CCNC(=O)C2=CN=C(C=C2)Cl 1 2.665 2 1 -9.2485042372241 857472 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)C3CC3 1 2.802 4 1 -11.3235795470877 857467 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3CC3 1 1.993 4 3 0 -16.2307550030465 857460 CCC1=C(N=C2C(=CC=CC2=C1)C)SCC(=O)NC3=NON=C3C 1 3.788 4 2 -11.8737826614399 857458 COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NCCS2 1 2.463 2 3 -16.0873290995633 857428 CC1=CC=CC2=CC(=C(N=C12)Cl)CNCC3=CC=CC=C3 1 4.497 2 0 5.5448111912775 857427 CC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2C)C3CC3)C 1 1.563 5 1 0 -14.4856877624698 857415 CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4CC4 1 1.924 4 3 0 -17.5474489565048 857411 CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C3CC3 1 1.993 4 3 0 -17.0468266255313 857398 CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)NC3CCCCC3 1 3.176 3 2 -6.98284280130448 857392 CCN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)N)N 1 0.27 6 1 0 -10.2785306532472 857391 CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3CC3 1 2.47 4 2 -14.3247675985266 857389 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)C3CC3 1 2.121 4 2 -13.5585444468186 857377 COC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3CCCCC3 1 2.702 5 2 0 -27.8951023774846 857376 COC1=CC=CC(=C1)NC(=O)CSC2=NN=NN2C3CCCCC3 1 2.702 5 2 0 -27.5383969827969 857374 C1CCC(CC1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)F 1 2.924 5 1 -26.7702591428752 857372 COC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3CCCCC3 1 2.702 5 2 0 -31.0138509158957 857358 CCCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=CO3 1 3.594 4 2 -15.1238629335465 857357 CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=CO3 1 1.879 4 2 0 -11.7023354459554 857356 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=NN=C(S3)C 1 0.41 5 2 0 -16.3094941488925 857354 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CN=CC=C3 1 0.525 4 2 0 -9.78604529220847 857340 CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=NN=C(S3)C(C)C 1 1.54 5 2 0 -15.2936926762972 857326 C1=CSC(=C1)C2=NN=C(O2)CC3=CC=C(C=C3)Cl 1 3.706 2 1 -7.17110084471872 857294 CCC(=O)NC1=NC(=C(S1)C(=O)NC2=CC(=CC=C2)Cl)C 1 2.637 3 2 -5.92638283232307 857281 CC1=CC(=C(C(=C1)C)NC(=O)CCN2C3=CC=CC=C3N=N2)C 1 3.984 4 1 -15.3543524302816 857269 CC1=C(SC(=N1)NC(=O)C2CC2)C(=O)NC3=CC=C(C=C3)OC 1 2.047 3 3 -8.72227108142854 857264 CC1=CC=CC=C1NC(=O)C2=C(N=C(S2)NC(=O)C3CC3)C 1 2.55 3 2 -10.9719844478331 857263 CC1=C(SC(=N1)NC(=O)C2CC2)C(=O)NC3=CC(=CC=C3)Cl 1 2.728 3 2 -5.56043561557895 857262 CC1=C(SC(=N1)NC(=O)C2CC2)C(=O)NC3=CC=CC=C3Cl 1 2.728 3 2 -8.21833080608082 857259 CC1=C(SC(=N1)NC(=O)C2CC2)C(=O)NC3=CC=CC=C3 1 2.064 3 2 -8.46595901065775 857246 C1CCC(CC1)NC(=O)N2CCC(CC2)C(=O)O 1 1.535 2 3 0 -11.8082607629766 857218 CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=CO3 1 3.387 3 1 -5.37884896606038 857213 CC1=NNC(=NC1=O)SCC(=O)N(CC2=CC=CC=C2)C(C)(C)C 1 2.332 4 2 -15.4961482742217 857186 CCC(=O)NC1=NC(=C(S1)C(=O)NC2CCCCC2)C 1 2.254 3 2 -11.4757428728909 857183 CC1=C(SC(=N1)NC(=O)C2CC2)C(=O)NC3CCCCC3 1 2.345 3 2 -11.1796814645766 857173 CCC(=O)NC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)F 1 3.614 3 1 -0.51897894512531 857162 CCN1C(=NNC1=S)C(C)C 1 1.915 3 0 0 -4.59867734130906 857158 C1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC(=O)N 1 1.862 4 3 0 -14.5695147836027 857112 CN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC=CO3 1 0.757 4 3 0 -12.8409517346487 857102 CC1=CC=CC=C1NC(=O)C2=CC3=NC=CN=C3C=C2 1 2.565 3 1 -6.00241245221797 857101 C1=CC=C(C(=C1)NC(=O)C2=CC3=NC=CN=C3C=C2)Br 1 2.827 3 1 -4.91796070913232 857094 CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3 1 1.779 6 1 0 -17.1920859150865 857064 CC(=O)C1=CC2=C(C=C1NC(=O)C3CCC3)OCO2 1 1.672 1 4 0 -4.54786568694867 857023 CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)C3CC3 1 2.343 4 1 -12.4337012122092 857007 CC1=CC2=CC(=C(C=C2N=C1SCC(=O)NCC3=CC=CO3)C)C 1 4.38 2 2 -13.4933916656351 856996 CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC3=CC=CC=C3C)C(=O)C 1 3.422 2 2 -7.53317268981686 856987 CC1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4 1 3.617 3 1 -12.5578798605053 856981 CC1=CC(=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4 1 4.305 3 1 -6.66810840332843 856980 C1CC1C2=NC3=CC=CC=C3C(=N2)SCC(=O)NC4=CC=CC=C4 1 3.819 3 1 -8.78342686551854 856973 CCC1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CCC4=CC=CC=C43 1 4.008 3 1 -11.9877058513098 856964 CCC1=NC2=CC=CC=C2C(=N1)SCC(=O)C3=CC=CC=C3 1 4.347 2 1 -3.30917157798347 856947 CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)C3=CC=CS3)C 1 5.765 1 1 -8.30975145287406 856938 CC1=C(C2=NC(=C(C=C2C=C1)C)SCC(=O)C3=CC=CS3)C 1 5.765 1 1 -5.78975462619622 856931 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C 1 0.44 2 4 0 -20.5652466792448 856925 C1CC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl 1 1.781 2 3 0 -15.1106799071256 856919 C1=CC=C(C=C1)NCC2=NN=C(O2)SCC3=C(C=CC=C3Cl)F 1 4.326 3 1 -13.8789893363912 856918 C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CC=CS3 1 2.792 4 1 -12.2140647536204 856916 CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CC=CO3 1 2.566 4 3 0 -8.96342594768066 856877 CC1=C(C2=NC(=C(C=C2C=C1)C=O)N3CCOCC3)C 1 3.137 2 2 0.261934747383755 856866 CCNC(=S)NC1=C(C=C(C(=C1)OC)NC(=O)C2=CC=CO2)OC 1 3.008 3 4 0 -13.99262837982 856782 CC(=O)N(CC1=CC=C(C=C1)F)CC2=NC(=O)C3=CC=CC=C3N2 1 1.883 3 2 0 -7.48325463928091 856690 CC1=CC2=NC3=C(C=C2C(=C1)C)C(=C(S3)C(=O)N4CCOCC4)N 1 2.696 3 2 -6.59788125481204 856662 CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(C)C 1 3.484 2 3 -21.4890354591732 856652 COC1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3CCCC3 1 2.692 3 3 -21.6991527956158 856642 CC1=CC(=NC2=C1C(=C(S2)C(=O)NNC(=O)C3=CC=CC=C3)N)C 1 2.095 4 2 -6.58582562664577 856640 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC)C3=CN=CC=C3 1 2.38 5 1 -12.4465746882167 856611 COC1=CC=C(C=C1)C2=NN(N=N2)CCC3=NNN=N3 1 1.058 8 1 0 -0.430346299620967 856583 CC1=CC2=C(C=C1C)N(C=N2)CCC(=O)NC(C)(C)C 1 2.763 3 1 -14.0619145351705 856577 CC1=CC(=CC(=C1)NC(=O)CCN2C=NC3=C2C=C(C(=C3)C)C)C 1 4.38 3 1 -8.81825928626619 856544 CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C)C)C3=CC=CO3 1 3.132 4 2 -9.113994426314 856539 CC1=CC=C(O1)C2=NN=C(O2)C3=CC(=CC=C3)OC 1 2.578 2 3 5.78751173926582 856516 COC1=CC(=C(C=C1NC(=O)C2=CC=CO2)OC)NC(=O)C3CC3 1 1.855 2 5 0 -8.9796914596949 856479 CC1=CC(=O)N=C(N1)SCC2=NN=C(O2)C3=CC=CC=C3 1 2.044 4 2 -14.7472921626295 856476 COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCCCC3 1 3.142 3 2 -11.3208400990416 856470 CCOC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC=NC=C3)OCC 1 2.568 3 3 -0.234643904211862 856442 CCS(=O)(=O)N1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C)C 1 1.801 4 2 0 -16.3870884837486 856436 CC1=CC2=NC(=C(N2C=C1)NC3CCCCC3)C(C)C 1 4.674 3 0 -6.00762065505814 856427 COC(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=CC=C3 1 3.418 2 2 -10.341473373533 856422 CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)OC)C(=O)C3=CC=CO3)C 1 4.755 1 3 -4.54933432611313 856421 C1CCCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 1 4.4 2 1 -0.165764909418762 856392 CC1=CC(=NN1CC(=O)NC2CCCCC2)C 1 1.826 3 1 0 -15.9039569214894 856386 CC1=C(C(=CC=C1)C)OC(=O)CSC2=NN=C(O2)C3=CC=CC=C3 1 4.468 2 3 -10.1845522565699 856380 C1=CC=C(C=C1)C(=O)NNC(=O)CN2C3=CC=CC=C3N=N2 1 1.534 5 2 0 -16.442822796601 856376 C1=CSC(=C1)C(=O)NCC(=O)C2=CC=C(C=C2)Br 1 2.995 1 2 -8.42249102933235 856373 C1=CSC(=C1)C2=NC=C(O2)C3=CC=C(C=C3)F 1 3.621 1 1 6.53632317646777 856372 C1=CSC(=C1)C(=O)NCC(=O)C2=CC=C(C=C2)Cl 1 2.911 1 2 -6.96583128423091 856371 C1=CSC(=C1)C(=O)NCC(=O)C2=CC=C(C=C2)F 1 2.452 1 2 -8.07595294935248 856364 CC1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl 1 3.732 2 1 -3.45127006095895 856363 COC1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CS3 1 4.341 1 2 -5.9635952951318 856356 CC1=CC(=NN1CC(=O)NC2=CC=C(C=C2)C(=O)OC)C 1 1.399 3 3 0 -15.5128582289174 856355 CC1=CC(=C(C=C1)NC(=O)CNCC2=CC=CC=C2)Br 1 3.238 2 1 -5.66500262594487 856353 CC1=CC(=C(C=C1)NC(=O)CN2CCOCC2)Br 1 1.878 2 2 0 -8.1775046222524 856352 CC1=C(C(=CC=C1)NC2=C(C(=CC(=N2)C)C)C#N)C 1 4.388 3 0 -0.860299250123731 856348 COC1=CC(=CC=C1)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 3.951 1 3 -0.793123147408266 856334 CC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=N2)C 1 3.249 4 1 -14.7786876880721 856333 COC1=CC=CC=C1C2=C(C(=NC3=C2CCC4=CC=CC=C43)N)C#N 1 4.4 3 1 -2.57737704944549 856325 COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)N)OC 1 3.036 4 2 -3.71205560797384 856321 CC1=C(C=C(C=C1)NC(=O)CN2CCOCC2)C 1 1.616 2 2 0 -7.24234967586122 856317 CC1CCN(CC1)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 3.643 2 1 -2.53089694868718 856310 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CN3C=NC4=CC=CC=C43 1 3.706 3 1 -3.79877927334334 856309 C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC3=CC=C(C=C3)C=O 1 3.727 1 3 -3.18737174950395 856307 C1CC2=C(C3=CC=CC=C31)N=C(C(=C2C4=CC5=C(C=C4)OCO5)C#N)N 1 4.185 3 2 -0.701820646891792 856303 CC1=C(N=C(C(=C1C2=CC3=C(C=C2)OCO3)C#N)N)C 1 2.406 3 2 -2.88089157360182 856302 C1CCC(CC1)NCC(=O)NC2=CC=CC(=C2)C(F)(F)F 1 3.221 2 1 0.945242649748429 856299 C1CCN(CC1)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 3.392 2 1 7.6692315106644e-002 856244 CC1=C(SC2=C1C(=O)N(C(=N2)C)N=CC3=CC=CC=C3)C 1 3.098 3 1 -7.27711189677201 856237 C1=CC=C(C=C1)CN2C(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4 1 4.924 3 0 -0.119281791219571 856236 CC1=CC(=NN1CC(=O)NC2=CC=CC(=C2)C(F)(F)F)C 1 2.486 3 1 -8.20170677814223 856234 C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3 1 2.728 5 1 -4.74859340818003 856233 C1=CC(=CN=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)Cl 1 2.728 5 1 -5.57806974777388 856231 C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3 1 2.063 5 1 -7.65411680325883 856230 C1=CC=C2C(=C1)N=CN2CC3=NN=C(O3)SCC(=O)N 1 0.639 5 2 0 -17.4200908213741 856221 COC1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CO3 1 3.782 1 3 -4.42010816873398 856217 CC1=CC=CC(=C1)C2=NN=C(O2)SCC3=CC=CC=C3 1 4.282 2 1 -2.82293697517465 856198 C1=CC(=CC(=C1)OC(=O)C2=CC=CO2)N3C=NN=N3 1 1.544 4 3 0 -15.9596818745625 856197 C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3C=NN=N3 1 2.148 4 2 -17.5729930954314 856196 C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)N3C=NN=N3 1 2.148 4 2 -18.0872518064591 856195 C1=CC=C(C(=C1)C(=O)OC2=CC=CC(=C2)N3C=NN=N3)Cl 1 2.813 4 2 -15.5502213685037 856194 CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)N3C=NN=N3 1 2.635 4 2 -17.194210012425 856193 C1=CC=C(C=C1)CC(=O)OC2=CC=CC(=C2)N3C=NN=N3 1 2.183 4 2 -17.7546601905412 856187 C1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=CC=C3)CC4=CC=CC=C4Cl 1 5.588 3 0 1.0503870085083 856182 C1=CC=C(C=C1)NC(=O)COC2=CC=CC(=C2)N3C=NN=N3 1 1.336 5 2 0 -16.8643321120379 856154 CC1=CC(=C(C=C1)C)NC(=O)CSC2=C(C(=CC(=N2)C)C)C#N 1 4.016 3 1 -16.7709681606045 856150 CCOC(=O)CSC1=NN=C(O1)C2=CN=CC=C2 1 1.117 3 3 0 -14.8896773166041 856149 COC(=O)CSC1=NN=C(O1)C2=CN=CC=C2 1 0.769 3 3 0 -14.0667431785369 856148 C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)Br)N3C=NN=N3 1 2.249 5 1 -15.6829439659531 856145 C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 2.362 4 2 -10.6184030926903 856144 C1=CC(=CN=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)Cl 1 2.362 4 2 -11.4478794322842 856143 C=CCN1C(=CNC1=S)C2=CC=CC=C2 1 2.78 2 0 -4.73535929079473 856142 CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=C(C=C3)C(=O)C 1 4.198 2 2 -9.31053535134879 856140 CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=C(C=C3)OC 1 4.442 2 2 -6.00881902969626 856135 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=C(C=C3)F 1 3.289 2 1 -3.71518489909799 856133 CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C 1 4.055 2 1 -6.44352831203632 856132 CC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C)C 1 4.055 2 1 -7.4272277253203 856102 COC(=O)CSC1=NNC(=N1)C2=CN=CC=C2 1 1.134 4 2 0 -8.19693349402657 856100 CC1=CC(=CC=C1)NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3 1 2.549 5 1 -5.60981711155635 856099 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=C(C=C3)Cl 1 3.747 2 1 -2.60506323397642 856098 CC1=CC(=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C 1 3.569 2 1 -2.96494509631433 856097 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=C(C=C3)Br 1 3.831 2 1 -4.06172297907786 856096 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC=C3 1 3.083 2 1 -4.75212905994899 856094 CC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C 1 3.569 2 1 -4.61535851889704 856084 CCC1=NC2=CC=CC=C2C(=C1C)C(=O)NC3=CC=C(C=C3)F 1 4.442 2 1 -3.47902224041821 856079 C1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=CC=C3Cl 1 3.753 4 0 2.26158143576695 856076 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC=CO3 1 2.794 2 3 -7.04538829199597 856069 C1COCCN1C(=O)CSC2=NN=C(O2)C3=CC=CC=C3Cl 1 1.83 3 3 0 -14.3387195662263 856048 CC1=CC(=CC(=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C)C 1 4.055 2 1 -5.14396042194875 856047 CCC1=NC2=CC=CC=C2C(=C1C)C(=O)NC3=C(C=CC(=C3)C)C 1 5.209 2 1 -6.0675277491349 856042 CCC1=NC2=CC=CC=C2C(=C1C)C(=O)NC3=CC=CC(=C3)C 1 4.722 2 1 -2.58894453341292 856041 CCC1=NC2=CC=CC=C2C(=C1C)C(=O)NC3=CC=C(C=C3)C 1 4.722 2 1 -4.37919586021727 856040 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=C(C=C3)C(=O)C 1 2.823 2 2 -8.14174445535991 856039 CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC=C3Cl 1 3.747 2 1 -4.50450085537205 856037 CC1=C(C(=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C)C 1 4.055 2 1 -3.61618367873833 856031 C1=CC(=CN=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)Cl 1 3.309 3 1 -5.96513773967525 856029 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3 1 2.67 4 2 -15.5867994306765 856024 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)Cl 1 3.161 3 1 0.471205581736525 856021 COC1=CC=CC(=C1)N2C=NN=N2 1 0.7 4 1 0 -10.5966206868875 856019 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)CCl 1 1.669 2 1 0 -6.40763646053763 856018 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C3=CC=C(C=C3)Cl 1 3.465 2 1 -3.98589518635526 856015 CC1=CC=C(C=C1)N2C(=NN=N2)C3=CC=CO3 1 2.523 4 1 -3.32169399371398 856008 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3 1 -5.4e-002 7 2 0 -18.0148186359403 856007 C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)N5C=NN=N5 1 2.832 4 0 -8.47714301496599 856003 C1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl 1 5.588 3 0 2.81056326619509 855997 CC1=C(C=C(C=C1)N2C(=NN=N2)C3=CC=CS3)[N+](=O)[O-] 1 2.975 5 2 0 -9.88323202421277 855984 CC1=C(C(=CC=C1)C)NC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl 1 4.555 3 1 -6.48358523317892 855980 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2Cl)N3C=NN=N3 1 2.652 5 1 -16.3310092912261 855979 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NNC(=O)C3=CC=CO3 1 0.793 6 3 0 -5.79350299793796 855977 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NNC(=O)C3=CC=CC=C3 1 1.398 6 2 0 -6.67194286558471 855965 C1=CC=C2C(=C1)C=CC=C2OCC3=NN=C(O3)SCC(=O)N 1 1.81 3 3 0 -15.7022066616676 855963 C1COCCN1C(=NC2=CC=CC=C2)C3=CC=CS3 1 2.722 2 1 -4.19392718867086 855960 CCC1=NC2=CC=CC=C2C(=C1C)C(=O)NCC3=CC=CC=C3 1 4.243 2 1 -7.41474844853637 855954 C1CCN(CC1)CC(=O)NC2=C(C(=CC=C2)Cl)Cl 1 3.202 2 1 -4.68286362856338 855945 CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4 1 4.162 4 0 4.17231383159628 855944 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)N3C=NN=N3 1 3.388 5 1 -13.5078010524439 855940 C1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=CO4 1 3.081 3 1 -3.11036188681188 855939 CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CC=C3)C4=CC=NC=C4 1 2.336 4 0 -3.90549337886974 855937 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2)N3C=NN=N3 1 1.987 5 1 0 -16.8815827690646 855935 CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=NC=C4 1 4.648 4 0 4.01248739996636 855914 C1COCCN1C(=NC2=CC(=CC=C2)Cl)C3=CC=CC=C3 1 3.433 2 1 0.263800586239156 855910 CC1=C(C=C(C=C1)N2C=NN=N2)NC(=O)C 1 0.323 5 1 0 -17.5348608294198 855907 CC1=CC=C(C=C1)C(=O)C2=C(SC(=C2C)C)NC(=O)C3=CC=CC=C3 1 4.923 1 2 -8.26653768606884 855903 CC1=C(SC(=C1C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C 1 4.437 1 2 -8.72216921469496 855892 CC1=CC=C(C=C1)N2C(=NN=N2)C3=CC(=CC=C3)C 1 3.614 4 0 -1.26827018570745 855888 C1=CC=C(C=C1)C2=NNC(=N2)C3=CC=C(C=C3)N 1 2.388 4 0 7.19416568023132 855851 C1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=CC=C3)CC(=O)N 1 2.194 4 1 -1.61778215072988 855819 C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=NC=C4 1 2.445 4 0 -2.17410670665521 855817 CCOC1=C(C=C(C=C1)C2=NNN=N2)OCC 1 1.964 4 2 0 -3.25358123797202 855802 C1=CC=C(C=C1)CNC(=S)NC2=CC=CC(=C2)C(=O)O 1 3.725 2 2 -10.599151818587 855796 CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)OC 1 3.169 2 2 -10.0693827985645 855788 C1=CC(=CN=C1)C2=NNC(=C3C=C(C=CC3=N2)Cl)C4=CC=CS4 1 2.858 4 0 -5.345879358236 855776 CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3 1 2.872 3 2 -17.2561532367499 855760 CN1C(=NN=C1SCC(=O)OC2CCCCC2)C3=CC=CO3 1 3.369 3 3 -9.74412637829946 855744 CN(C1=NC(=CS1)C2=CC=C(C=C2)F)C(=O)C3=CC=CO3 1 3.365 2 2 0.996514235577577 855732 CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C)C3CC3 1 4.023 4 1 -14.6837382235163 855707 CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCCCC3 1 4.101 3 1 -11.4949702132461 855703 CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C(C)C 1 2.626 4 3 0 -18.6622160115411 855700 COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CO3)C4=CC=CC=C4 1 2.123 3 2 -1.67126724096325 855699 COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CO4)F 1 2.975 3 2 -0.820071901969994 855668 CC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C 1 3.359 3 2 -19.6641918743688 855653 CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCC3=CC=CC=C3)C(=O)C)C 1 3.422 2 2 -4.86263428668391 855630 CCN1C(=NN=C1SCC(=O)NC2=NOC(=C2)C)C3=CC=CC=C3 1 2.532 5 2 0 -20.2327335178245 855629 CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3 1 2.183 5 2 0 -19.9909999504005 855628 C1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3Cl 1 3.059 3 2 -12.7704231164507 855622 CCN(CC)C(=O)CSC1=NN=C(N1C)COC2=CC=CC(=C2)C 1 2.693 4 2 -16.7676583204948 855603 CCC1=C(N=C2C=C(C=CC2=C1)OC)SCC(=O)NNC(=O)C 1 2.252 3 3 -9.81812720244071 855589 CN(C1=NC(=CS1)C2=CC=C(C=C2)F)C(=O)COC3=CC=CC=C3 1 3.805 2 2 -3.19991525270463e-003 855582 CC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NN=C(N2C)C3CC3 1 1.881 5 2 0 -15.9662167568752 855581 CC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NN=C(N2C)C(C)C 1 2.253 5 2 0 -17.339668032951 855575 CC(C)C1=NN=C(N1C)SCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.278 4 3 0 -17.4755990790122 855567 CCC1=C(N=C2C=C3C(=CC2=C1)OCO3)SCC(=O)OC(C)C 1 4.241 1 4 -10.4896698690523 855559 CCN(C1=NN=C(S1)C2=CC=C(C=C2)OC)C(=O)C3=CC=CO3 1 2.947 3 3 -4.92725483481238 855557 CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC 1 0.975 4 3 0 -21.1079324453571 855555 CN1C=NN=C1SCC(=O)NC2CCCCC2 1 1.401 4 1 0 -21.6067186664735 855554 CN1C=NN=C1SCC(=O)NCC2=CC=CC=C2 1 1.126 4 1 0 -22.7126342101142 855534 CC1=CC2=CC(=C(N=C2C=C1)Cl)CNCC3=CC=CC=C3 1 4.497 2 0 7.64065321898632 855522 CCOC(=O)C(C)(C)N1N=C(N=N1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.251 5 4 0 -3.07733741249242 855516 COC1=CC=C(C=C1)C(=O)C2=C(SC=C2)N 1 2.257 1 2 -1.00600275342224 855511 CS(=O)(=O)N1CCN(CC1)CC(=O)NC2CCCCC2 1 0.245 3 3 0 -19.7460401772851 855499 COC1=CC=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)N4CCOCC4 1 2.887 3 3 0.752657431322044 855474 CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NC3=NON=C3C 1 2.724 5 2 0 -15.3755164046062 855469 CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NC3=NOC(=C3)C 1 3.237 4 2 -20.5094646326541 855426 C1=CC2=NC=CN=C2C=C1C(=O)NC3=NC=CS3 1 1.076 4 1 0 -5.41204724072484 855417 C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC=CC=C3F 1 3.991 2 1 -11.5330046607578 855416 C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)F 1 3.991 2 1 -8.785952662043 855349 CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC)C3=CC=CO3 1 3.382 4 2 -12.9928275685372 855348 CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC)C3=CC=CO3 1 3.412 4 2 -11.0904970112671 855347 CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)NC)C3=CC=CO3)C 1 3.412 4 2 -10.912679947632 855346 CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC)C3=CC=CO3 1 2.926 4 2 -8.3930869746151 855342 CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N)C3=CC=CO3 1 2.72 4 2 -5.55809091560692 855336 COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=NC=C3)C4=CC=CS4 1 1.531 4 1 0 -4.3541239475145 855326 COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CC=CO3 1 2.217 4 3 0 -8.19720279597264 855323 CS(=O)(=O)NC1=NN=C(S1)CC2=CC=CC=C2 1 1.174 3 2 0 -10.3411799177816 855312 CC(C)C1=NN=C(N1C)SCC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.295 4 3 0 -18.9209002325806 855309 CCN1C(=NN=C1SCC(=O)N)C(C)C 1 1.076 4 1 0 -14.2336707488428 855308 CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)NC3CCCC3)C 1 3.242 3 1 -16.5654057347023 855289 CNC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)OC)C3=CC=CO3 1 2.423 4 3 0 -11.1645002914776 855288 COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N)C3=CC=CO3 1 2.217 4 3 0 -8.32950423246941 855279 CC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)S(=O)(=O)N3CCCC3 1 1.867 2 4 0 -22.4475143033976 855274 COC1=CC2=C(C=C1)C=C(C(=N2)N3CCOCC3)C#N 1 1.647 3 2 0 -0.570713368801407 855267 C1CC1C(=O)N(CC2=CC=CS2)CC3=NC(=O)C4=CC=CC=C4N3 1 2.176 3 2 -12.3137869497007 855256 CCN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)F 1 1.414 5 1 0 -20.8627404793624 855255 CCN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)N(C)C 1 1.371 6 1 0 -24.2359038834403 855254 CCN1C(=NN=N1)SCC(=O)NC2=NC3=CC=CC=C3S2 1 1.834 6 1 0 -19.2299310111467 855253 CCN1C(=NN=N1)SCC(=O)NC2=NC(=C(S2)C)C 1 0.634 6 1 0 -22.914727029623 855252 CCN1C(=NN=N1)SCC(=O)NC2=NOC(=C2)C 1 0.347 6 2 0 -30.8335666165126 855249 CCN1C(=NN=N1)SCC(=O)NC2=CC3=C(C=C2)OCCO3 1 0.994 5 3 0 -25.976488223658 855248 CCN1C(=NN=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3 1 0.977 5 3 0 -24.5311870700895 855244 CCN1C(=NN=N1)SCC(=O)N2CCCC3=CC=CC=C32 1 1.945 5 1 0 -24.2450101034381 855241 CCN1C(=NN=N1)SCC(=O)N2CCC3=CC=CC=C32 1 1.489 5 1 0 -25.7743804303464 855233 CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)F 1 2.499 4 2 -10.9852154654413 855225 CCCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C(C)C 1 3.71 4 1 -20.7892216968727 855224 CCCN1C(=NN=C1SCC(=O)NC2CCCC2)C(C)C 1 3.207 4 1 -19.9203911509297 855207 CCCN1C(=NN=C1SCC(=O)N2CCCCC2)C(C)C 1 2.928 4 1 -18.1068553136657 855201 CCN1C(=NN=C1SCC(=O)NC2CCCC2)C(C)C 1 2.684 4 1 -18.9351409185996 855191 CC1=C(SC(=C1C#N)NC(=O)CSC2=NN=C(N2C)C(C)C)C 1 2.806 5 1 -22.718012303522 855142 CCCN1C(=NNC1=S)C(C)C 1 2.439 3 0 -5.49985313377457 855141 CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OCC)C3CC3 1 2.819 4 2 -17.960735313239 855140 CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N(C)C)C3CC3 1 2.649 5 1 -16.5153554986236 855132 CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3CC3 1 3.09 3 2 -8.9926164138381 855131 CCN1C(=NN=C1SCC2=CC(=O)NC3=CC=CC=C32)C4CC4 1 2.816 4 1 -14.5049692334049 855124 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)C3CC3 1 2.802 4 1 -13.1449139662483 855120 CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3CC3 1 3.749 3 0 -5.85808881500887 855112 CCCN1C(=NN=C1SCC(=O)NC(C)(C)C)C2=CC=CO2 1 2.667 4 2 -17.2047276795826 855110 CCCN1C(=NN=C1SCC(=O)NC2=CC=CC(=N2)C)C(C)C 1 3.053 5 1 -16.2788635958507 855097 CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)C(C)C)C 1 4.101 3 1 -9.18349368168978 855092 CC1=CC=CC(=C1)C(=O)NNC(=O)CSC2=NN=C(N2C)C3CC3 1 1.881 5 2 0 -15.7883658826172 855082 CCNC(=S)NC1=CC=C(C=C1)OCC 1 3.193 2 1 -8.31542679305285 855080 CN(C)C(=S)NCC1=CC=CC=C1 1 2.777 2 0 -6.73847832194935 855076 CC1=C(C=CC=C1Cl)NC(=S)NN 1 2.893 3 0 -1.18953406493059 855072 CC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)N 1 3.794 1 1 6.39107450089614 855055 CCCN1C(=CC(=O)N(C1=O)CCC)N 1 0.925 3 2 0 -4.45467231950739 855050 CCCC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N 1 2.893 3 1 -5.81848107483624 855039 CCOC1=CC=C(C=C1)NCCC(=O)C2=CC3=C(C=C2)OCO3 1 3.243 1 4 -4.94726189914802 855037 CC1=C(C=C(C=C1)NCCC(=O)C2=CC=CS2)C 1 4.068 1 1 -5.18789346818074 855035 C1CCC(CC1)NC(=O)C2=CC=CS2 1 2.849 1 1 -8.43667076950546 855012 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)C(C)(C)C 1 4.4 0 4 -9.78198381068353 854997 CC1=C(C=C(C=C1)NC(=O)C2CCCCC2)C 1 4.049 1 1 0.298440146581936 854988 COC1=CC=C(C=C1)CNC(=O)NC2CCCCC2 1 2.795 2 2 -9.13972711262584 854987 C1CCC(CC1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3 1 4.595 1 1 5.85680077007299 854933 CC1=NN(C(=C1)N)/C(=C/C#N)/C 1 0.533 4 0 0 -5.28368350900671 854939 COC1=CC(=C(C=C1)O)C2(C(=O)C3=CC=CC=C3C2=O)O 1 1.96 0 5 0 2.45159160661864 854979 C1COC2=C(O1)C=CC(=C2)C3=CN4C=CC=CC4=N3 1 2.303 2 2 -1.0145132817719 854968 C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)N 1 2.715 2 1 9.85228091199685 854947 CN(C)C1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)O 1 2.381 1 3 -2.56234944057819 854945 C1=CC=C(C=C1)C(=O)CC2(C(=O)C3=CC=CC=C3C2=O)O 1 2.139 0 4 -5.83700782511119 854899 CC(=O)OC1=CC(=C(C=C1)C(=O)CC2=CC=CC=N2)O 1 2.072 1 4 -0.890517138130438 854897 C1=COC(=C1)CNC2=C(N=C(O2)C3=CC=C(C=C3)F)C#N 1 2.863 3 2 0.140188207168612 854894 C1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=C(C=C3)F)C#N 1 3.681 3 1 0.596773303576869 854858 CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=CC=C3 1 3.41 1 3 -11.1018774934377 854839 C1=CC=NC(=C1)CNC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.923 3 1 -5.0777123208714 854823 CC1=CC(=C(C=C1)NC(=O)CC(=O)NC2=C(C=C(C=C2)C)C)C 1 3.86 2 2 -5.95144395612313 854816 CC1=CC(=NC(=N1)NC2=NC3=CC=CC=C3O2)C 1 2.117 4 1 -1.03756391106967 854809 CC1=C(C=C(C=C1)NC(=S)N)C 1 3.052 2 0 -2.05863526793463 854805 CCOC(=O)C1=NC(=NC=C1Cl)S(=O)(=O)C 1 1.395 2 4 0 -10.1576135688283 854799 CC1=CC(=CC=C1)OCC2=NNC(=S)N2CC3=CC=CC=C3 1 4.007 3 1 -2.37929487827894 854795 CC1=CC(=NC2=NC(=NN12)CCC3=NN4C(=CC(=NC4=N3)C)C)C 1 1.573 8 0 0 -7.83586804410893 854790 COC1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)C3=CC=CC=C3 1 3.486 2 3 -14.0663208925059 854786 CCC1=CC=C(C=C1)C2=C(SC(=N2)N)C 1 3.115 2 0 5.90644673657169 854771 CCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)OC)OC 1 2.914 1 4 -7.94010595319753 854758 C1=CC=C(C=C1)NC(=O)CCCC2=NC3=CC=CC=C3S2 1 3.631 2 1 -5.32187611005909 854749 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC=NC=C3 1 2.372 2 1 -2.26455991438055 854747 CC1=NC2=C(C=CC(=C2)Cl)C(=C1)Cl 1 3.627 1 0 6.37994869352659 854743 CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3Cl)C(=O)O 1 4.14 0 4 -2.63295815406119 854732 CC1=COC2=C1C=C3C4=C(CCC4)C(=O)OC3=C2 1 3.666 0 3 -7.31573219227621 854729 CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=CC=C3)C 1 4.032 0 4 -8.80115070294271 854709 CC1=CC(=O)OC2=C1C=CC(=C2)OCCC3=CC=CC=C3 1 4.234 0 3 -4.01517405714596 854704 CCCC1=CC(=O)OC2=CC3=C(C=C12)C(=CO3)C 1 4.048 0 3 -3.21842166971367 854703 CC1=C(OC2=C1C=C3C=CC(=O)OC3=C2)C 1 2.835 0 3 -2.39452180772041 854681 C1=COC(=C1)C2=NNC(=S)N2C3=CC=C(C=C3)Br 1 3.822 3 1 -1.97513212527291 854669 CCOC(=O)CSC1=NN=C(O1)C2=CC(=CC=C2)Br 1 3.016 2 3 -10.4284454588013 854668 C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)C3=CC=CC=C3 1 3.503 2 2 -14.7612010501896 854646 CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC=NC=C2 1 2.29 3 1 -5.8658309133678 854635 C1=COC(=C1)C2=C(N=C(C(=N2)C3=CC=CO3)C4=CC=CO4)C5=CC=CO5 1 4.897 2 4 4.51070448237289 854618 CC1=CC=C(C=C1)C(=O)CN2C=NC3=CC=CC=C3C2=O 1 2.698 2 2 -6.32575109138207 854609 CCOC(=O)C1=CC=C(O1)CC(=O)C2=C(C(=C(C=C2)O)O)O 1 2.433 0 7 0 5.87960552707024 854591 CCOC(=O)C1=CC=C(O1)CC(=O)C2=C(C3=C(O2)C=C(C=C3)O)C 1 3.999 0 6 2.70064412269276 854570 CCOC1=CC(=C2C(=C(C(=O)OC2=C1)Cl)C)OCC 1 3.379 0 4 -4.54893085512871 854568 CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)Cl)C(=O)O 1 4.14 0 4 -0.821672479298412 854516 CCOC1=CC2=C(C=C1)OC(=C2C(=O)O)C3=CC=CC=C3 1 3.905 0 4 1.76604040728493 854467 COC(=O)NC1=CC=C(C=C1)SCC(=O)C2=CC=CC=C2 1 3.391 1 3 -3.68961681438613 854438 C1CN(CCC1NC(=O)COC2=CC=CC=C2)CC3=CC=CC=C3 1 2.567 2 2 -3.87321313373708 854434 C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 3.778 1 2 -3.02139240150462 854429 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2C=NN=C2 1 -0.944 5 3 0 -9.78051007153682 854428 CCNC1=C(C=C(C=C1)C(=O)O)N 1 0.87 2 2 0 -5.51111083926521 854427 CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)C 1 3.036 5 1 -8.67333366537629 854418 COC1=CC=CC=C1C(=O)NC2=NC3=CC=CC=C3N2 1 2.655 3 2 -4.02629408600695 854410 CC(=O)NC1=NC(=CS1)C2=CC=C(S2)Br 1 2.415 2 1 1.59126999522651 854403 COC1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)OC 1 2.497 2 3 -5.73233257199874 854401 C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C#N 1 3.22 2 1 1.72775035964059 854382 CC1=NC(=C(C(=N1)Cl)CC=C)NCC2=CC=CC=C2 1 3.819 3 0 -4.90837277408849 854377 COC1=CC=C(C=C1)NC(=O)CC2=C(NC3=CC=CC=C3C2=O)O 1 2.415 2 4 -7.67340262446563 854375 CCCC1=NC2=CC=CC=C2C(=C1)C(=O)O 1 3.051 1 2 -3.02284921572491 854364 CC1=CC=CC=C1C(=O)NC(=S)NCC2=CC=CC=C2 1 3.981 2 1 -12.3816311211092 854350 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N 1 2.487 3 1 -3.2440544347677 854344 CC1=CC=CC=C1NC(=O)CC(=O)NC2=CC=CC=C2C 1 2.888 2 2 -5.75379563513635 854342 CCOC1=CC=C(C=C1)C2=NNC(=C2C)C(=O)NN 1 1.841 4 2 0 0.312869289443274 854333 C1=CC=C(C=C1)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3 1 3.139 0 4 -8.33905267996838 854325 C1CCC2=C(C1)C(=C(C(=S)N2)C#N)C3=CC=C(C=C3)Cl 1 4.32 2 0 -5.3274287193706 854314 CC1=CC(=C(C(=S)N1)C#N)C2=CC=CS2 1 2.554 2 0 -7.15265357299034 854268 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC3=CC=CC=C3C=C2 1 3.918 1 2 -2.62816297179886 854265 C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CN=CC=C4 1 2.196 2 2 -3.16370367009435 854259 CC(C)(C)N1C(=O)C2=C(CCC2)NC1=O 1 1.237 2 2 0 -11.0503321241153 854239 C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 0.964 2 4 0 4.15474827023629 854236 CN1C2=C(NC1=O)N=CC=C2 1 0.287 3 1 0 -2.94801717769985 854230 C1=CC=C(C=C1)COC(=O)CN2C3=CC=CC=C3N=N2 1 2.931 3 2 -10.6410503061881 854225 C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)N 1 3.082 1 2 2.39555578857381 854221 CCCN1C=CC(=CC=C(C#N)C#N)C=C1 1 1.495 3 0 0 1.90259369150473 854216 CC1=C(C(=NC=C1)SCC(=O)C2=CC=C(C=C2)Br)C#N 1 4.129 2 1 -9.56991114148815 854214 C1=CC(=CC=C1OCC(=O)C2=C(C=C(C=C2O)O)O)F 1 2.549 0 5 3.0884748705482 854200 CC1=CC=C(C=C1)C(=O)CNC2=CC=CC=C2C 1 3.866 1 1 -4.33195904720231 854185 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NC=CS2 1 1.109 3 3 0 -12.5647475161699 854169 CCOC(=O)NC1=NC2=CC=CC=C2S1 1 2.567 2 2 -1.21707683150089 854165 CCN1C=C(C(=O)C2=CC(=C(C=C21)F)F)C(=O)OCC 1 2.49 1 3 -1.38679956008845 854142 CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3 1 3.867 3 0 4.89682170581008 854139 C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)F)O 1 3.424 2 2 5.89528985552256 854128 CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCOCC3 1 0.969 5 2 0 -19.1111328313001 854084 CC1=C(C=C(S1)C(=O)NC2=CC3=CC=CC=C3C=C2)CC(=O)O 1 3.286 1 3 -4.10397335994291 854039 C1=CC(=NC(=C1)C(=O)N)C(=O)N 1 -0.46 3 2 0 -3.73220473866854 853997 C1CCC2(CC1)C(=S)NC3(N2)CCCCC3 1 3.174 2 0 -2.96979430308375 853980 CNC(=S)NC1=C(C=CC(=C1)OC)OC 1 2.479 2 2 -8.76519097476208 853901 C1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=O 1 3.687 1 1 1.70629586583058 853873 C1=CC(=CC(=C1)F)NC(=O)NC2=CN=CC=C2 1 1.577 3 1 0 -1.52841607775972 853831 CCC1=C(C(=CC=C1)CC)NC(=O)NC2CCCCC2 1 4.689 2 1 -7.58688729694035 853808 C1CCN(C1)C(=O)CCC(=O)O 1 -0.114 1 3 0 -11.2508001363983 853805 CCC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2 1 3.167 2 1 -2.84289329708125 853804 CC1=CC(=NC=C1)NCC2=C(C(=CC=C2)OC)O 1 2.366 2 2 2.78470906687221 853803 COC1=CC=CC(=C1O)CNC2=CC=CC=N2 1 2.352 2 2 2.12858385996402 853792 C1=CC=C(C(=C1)C(=O)O)NC(=O)NC2=CC(=CC=C2)Cl 1 2.817 2 3 -4.16287934257042 853791 C1=CC=C(C(=C1)C(=O)O)NC(=O)NC2=CC=C(C=C2)Cl 1 2.817 2 3 -4.99235568216427 853790 C1=CC=C(C(=C1)C(=O)O)NC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.481 2 3 -5.19426567953767 853789 CCC1=CC=CC=C1NC(=O)NC2CCCCC2 1 3.747 2 1 -9.75690405290701 853786 COC1=CC=CC=C1NC(=O)NCCC2=CC=CC=C2 1 2.834 2 2 -11.2741233008011 853785 C1=CC=C(C(=C1)CNC2=NC=CS2)O 1 1.505 2 1 0 3.46153825673815 853783 C=CCN(CC=C)C(=S)NC1=CC=CC=C1 1 4.281 2 0 -13.1423498568455 853779 C1CCC(CC1)OC(=O)NC2=CC=CC=C2Cl 1 4.116 1 2 -5.31435837119138 853774 COC1=CC=CC(=C1)NC(=O)N2CCOCC2 1 0.823 2 3 0 -7.02714123084461 853762 C1=CC=C(C(=C1)C(=O)O)NC(=O)CC#N 1 0.639 2 3 0 -12.365387056809 853760 C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)O 1 4.124 2 1 -1.5150924558832 853746 CC1=C(CS(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N)C 1 1.233 2 3 0 -5.92180810972835 853745 CC1=CC=CC=C1NC(=O)CSC2=NN3CCCCCC3=N2 1 3.409 4 1 -12.942656373524 853738 CN(C)S(=O)(=O)NC1=CC2=C(C=C1)OCO2 1 0.1 2 4 0 -4.15911945156123 853732 CC1=CC=C(C=C1)C2=NN=C3N2CCCCC3 1 3.239 3 0 -2.71157513469185 853719 C1=CC=C2C(=C1)C(=O)N(C2=O)N3C=CC=C3 1 1.787 2 2 0 -2.31509280526203 853718 C1CC1NC(=O)C2=CC(=C(C=C2Cl)F)F 1 2.603 1 1 -4.73615948299381 853711 CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2Cl)Cl 1 4.429 1 1 -3.19175308610714 853705 CN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.42 5 2 0 -17.4759152626246 853704 CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3 1 2.679 4 2 -16.2844923874044 853674 CC1=CC=CC=C1NC(=O)NCC2=CN=CC=C2 1 1.865 3 1 0 -10.8052626484925 853670 C1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2 1 1.379 3 1 0 -7.26998518594448 853565 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)N 1 0.458 1 3 0 -11.462470325481 853543 CC1=C(C(=CC=C1)NC2=NC3=CC=CC=C3S2)C 1 4.34 2 0 7.53203668438397 853540 CC(=O)NC1=CC=C(C=C1)N2C=C(N=C2SC)C3=CC=CC=C3 1 3.65 3 1 -1.18174914803794 853539 C1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=C(C=C3)N 1 3.088 3 0 -0.941512788061418 853537 CC1=CC=CC=C1NCC2=NN=C3N2CCCCC3 1 2.9 4 0 -9.65820696466734 853533 CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C(=O)N2N)C)C 1 1.668 5 2 0 -17.4430264826635 853532 CC1=NN=C(N(C1=O)N)SCC(=O)NC2=CC=C(C=C2)OC 1 0.68 5 3 0 -14.9053550004948 853528 CC1=CC(=O)N=C2N1C(=NN2)C3=CC=C(C=C3)Br 1 2.221 4 1 -6.6818787933313 853514 CC1=C(C(=CC(=C1C)Br)C(=O)O)C 1 3.666 0 2 -0.97383991365834 853509 CC1=CC(=NC(=N1)NC2=CC=CC=C2OC)C 1 2.033 3 1 -3.39334599422327 853496 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CN(C)C 1 -3.9e-002 5 2 0 -9.51043545534711 853491 CC1=CC(=NO1)C(=O)NC2=NOC(=C2)C 1 0.781 3 3 0 -16.0799082943923 853490 COC1=C(C=C(C=C1)Cl)C(=O)NC2=NC3=CC=CC=C3N2 1 3.319 3 2 -0.780358230116418 853463 CC(=O)NC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O 1 1.939 1 3 0 -8.05915345214384 853433 C/C=C/C1=CC(=C(C=C1)O)OC 1 2.525 0 2 2.86349648428165 853427 CC1=NC(=NC(=N1)C2=CC=CC=C2OC(=O)C)NC(=O)C 1 0.93 4 3 0 -5.41165590109442 853399 C1=CC=C(C(=C1)O)OCC(=O)C2=CC=CS2 1 2.78 0 3 -2.0514376000232 853396 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CN=CC=C3 1 2.389 3 1 2.80096924205941 853388 C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=NC4=CC=CC=C4C3=O 1 1.36 3 4 0 -12.6125915044593 853346 C1=CC=C(C=C1)CNCC(=O)NC2=CC=C(C=C2)Cl 1 2.668 2 1 -2.65993417432676 853377 CC1=CC(=CC=C1)NC(=S)NN2CCN(CC2)C 1 2.598 4 0 -0.883910852759838 853372 C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)Cl 1 3.391 2 0 1.90807349298519 853370 CC1=CC=C(C=C1)C(=O)NC2=C(N=C3N2C=CC(=C3)C)C4=CC=CS4 1 4.767 3 1 -9.28378210232708 853297 C1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC=C(C=C3)Cl 1 4.377 3 0 -4.29089532634894 853286 C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCC4=CC=C(C=C4)F)N)C#N 1 3.788 5 0 -11.5193923376282 853275 COC1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N 1 3.245 5 1 -11.527845567597 853265 CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)N4CCOCC4 1 2.464 4 2 -16.3071723294865 853256 CC1=NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)N1N4C=CC=C4 1 3.248 3 2 -1.1274870707646 853253 C1CCN(CC1)C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4 1 4.54 3 0 2.67055712965404 853239 CCOC(=O)C1=C(N(N=C1)C2=C3C4=C(CCC4)SC3=NC(=N2)C)N 1 2.342 5 2 0 -14.7775927610707 853235 CCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C)C4=CC=CC=C4 1 3.783 4 0 2.29484888505409 853225 CN1C2=C(C(=O)NC1=O)N(C(=N2)NN)CCOC3=CC=CC=C3 1 0.506 6 3 0 -7.99237009240515 853224 C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)SCC(=O)O 1 3.902 2 2 -13.0675496997418 853220 COC(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)Cl 1 3.884 2 2 -13.8073846418434 853211 C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=CC(=C(C=C3)Cl)Cl 1 3.868 2 1 0.220570991810778 853203 C1=CC(=CC=C1C2=CSC3=NC=NC(=C23)NN)Cl 1 3.109 4 0 6.81801260298851 853200 COC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=CC3=CC=CC=C32 1 3.398 2 3 -6.6970550245105 853198 C1=CC=C(C=C1)NC(=O)NCC2=CC=CC=N2 1 1.594 3 1 0 -7.02286814947057 853196 COC1=CC=C(C=C1)C(=O)NCC2=CC=CC=N2 1 1.669 2 2 0 -9.54801723822178 853195 C1=CC=NC(=C1)CNC(=O)NC2=CC=C(C=C2)Cl 1 2.258 3 1 -4.875802323498 853178 COC1=NC(=C(C=C1)C(=O)O)OC 1 1.354 1 4 0 -7.201531412187 853145 C1CC2=NN=C(N2C3=CC=CC=C31)C4=CC=C(C=C4)Br 1 4.235 3 0 1.03324410312428 853140 C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)C3=CC=CC=C3 1 2.761 4 1 -1.28269101506493 853139 CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=CC=CC=C3)Cl 1 1.754 4 3 0 -10.9248770662544 853113 CN(C)C(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3 1 2.627 1 4 -5.44538561487713 853103 COC1=CC=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N2 1 2.655 3 2 -3.1497671183807 853070 COC1=CC(=C(C=C1)C(=O)COC2=CC=C(C=C2)F)O 1 3.016 0 4 3.31956625054348 853050 C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3C#N 1 2.376 4 1 -4.88671824796296 853049 CC1=C(C=C(C=C1)F)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3 1 3.189 3 1 -3.1107863432831 853046 CC(=O)NC(C1=CC=C(C=C1)N(C)C)NC(=O)C 1 0.511 3 2 0 -7.63483456022129 853038 C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)Cl 1 3.799 2 0 -1.36397935618856 853026 CCC1=CC(=O)OC2=C1C=CC(=C2)OCC=C(C)C 1 4.251 0 3 -9.18490289054229 852988 COCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 1 1.735 2 2 0 -13.6999323425315 852984 CC1=C(SC2=C1C(=O)NC(=N2)COC)C 1 0.984 2 2 0 -6.77304798600419 852982 CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C)C 1 0.954 2 3 0 -9.22339933057666 852972 C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CC(=O)N 1 1.317 3 2 0 -4.47995273689463 852964 CC1=C(C2=C(S1)N=C(NC2=O)N3CCOCC3)C4=CC=CC=C4 1 2.169 3 2 -10.0347779939752 852963 CC1=C(C2=C(S1)N=C(NC2=O)C3=CC=NC=C3)C4=CC=CC=C4 1 2.793 3 1 -6.90392714292382 852962 CC1=C(C2=C(S1)N=C(NC2=O)C3=CN=CC=C3)C4=CC=CC=C4 1 2.793 3 1 -8.83638487226001 852961 CC1=C(C2=C(S1)N=C(NC2=O)C3=CC=CC=N3)C4=CC=CC=C4 1 3.221 3 1 -6.24078230874718 852959 CC1=C(C2=C(S1)N=C(NC2=O)CC(=O)N)C3=CC=CC=C3 1 1.462 3 2 0 -7.62749106445199 852955 CC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=CC=C3)C4=CC=CC=C4 1 3.978 2 1 -5.92289086191046 852954 CC1=C(C2=C(S1)N=C(NC2=O)C3=CC=CC=C3)C4=CC=CC=C4 1 3.944 2 1 -7.91165623455738 852952 C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=N3)CC(=O)N)Cl 1 1.981 3 2 0 -2.18343762999261 852941 CCC1=CC2=C(S1)N=C(NC2=O)C3=CC=NC=C3 1 1.941 3 1 0 -8.41603338450383 852940 CCC1=CC2=C(S1)N=C(NC2=O)C3=CC=CC=N3 1 2.37 3 1 -8.38709435459369 852939 CCC1=CC2=C(S1)N=C(NC2=O)COC 1 1.164 2 2 0 -7.28182914146272 852938 CCC1=CC2=C(S1)N=C(NC2=O)CC(=O)N 1 0.611 3 2 0 -10.017650024329 852934 CCC1=CC2=C(S1)N=C(NC2=O)CC3=CC=C(C=C3)Cl 1 3.791 2 1 -5.30777084735472 852929 CCC1=CC2=C(S1)N=C(NC2=O)N3CCCC3 1 2.09 3 1 -10.4813823169713 852927 CCC1=CC2=C(S1)N=C(NC2=O)N3CCOCC3 1 1.317 3 2 0 -12.4249369538522 852903 CC1=NC(=C(C=C1)C2=NOC(=N2)C3=CC=CO3)OC 1 2.195 3 3 -0.284530692152304 852902 CC1=NC(=C(C=C1)C2=NOC(=N2)C3=CC=CS3)OC 1 2.753 3 2 -2.64557198423457 852900 CCOC1=C(C=CC(=N1)C2=CC=CC=C2)C3=NOC(=N3)C4=CC=CS4 1 4.766 3 2 0.261562428207498 852899 CCOC1=C(C=CC(=N1)C)C2=NOC(=N2)C3=CC=CO3 1 2.543 3 3 -1.10872061068954 852897 CCC1=NC(=NO1)C2=C(N=C(C=C2)C)OCC 1 2.151 3 2 -5.31978041661708 852895 CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3 1 3.613 1 3 -3.95729401424216 852894 C1COC2=C(C=C(C(=C2)NC(=O)C3=CC=C(C=C3)F)Cl)OC1 1 3.332 1 3 -3.24541698877691 852890 COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3 1 3.11 1 4 -4.3702602233863 852889 COC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3 1 3.11 1 4 -5.0579300778689 852887 CCC(=O)NC1=CC(=C(C=C1Cl)OCC)OCC 1 2.946 1 3 -7.9566264321881 852886 CCOC1=C(C=C(C(=C1)NC(=O)C)Cl)OCC 1 2.279 1 3 -8.57432844420907 852882 C1COC2=C(C=C(C(=C2)NC(=O)C3=CC=CO3)Cl)OC1 1 2.522 1 4 -3.05144161605536 852881 C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)C3=CC=CO3 1 2.46 1 4 -3.55326895705798 852880 CCOC1=C(C=C(C(=C1)NC(=O)C2=CC=CO2)Cl)OCC 1 3.339 1 4 -7.45180156373545 852879 C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)CCC3=CC=CC=C3 1 3.555 1 3 -7.755370890329 852874 CCC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3 1 4.069 1 3 -4.19673215002125 852872 C1COC2=C(C=C(C(=C2)NC(=O)C3=CC=CC=C3)Br)OC1 1 3.211 1 3 -6.11855724694577 852871 C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=CC=CS3 1 3.102 1 3 -6.45268664478413 852870 C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=CC=CO3 1 2.544 1 4 -4.91888462225225 852868 C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=CN=CC=C3 1 1.998 2 3 0 -7.80789783063402 852826 CC(C)(C)C1=NNC2=C1CCCC2 1 3.486 2 0 -0.141381910809698 852807 CC1=CC(=NN1)C(=O)N2CCCC2 1 0.722 3 1 0 -8.36551197738496 852762 CC(=O)/C=C/C1=CC=CC=C1OC 1 2.011 0 2 0.498613467375486 852750 CNC(=S)N(C)C1=CC=CC=C1 1 2.865 2 0 -6.68339475945148 852719 C[C@@H](C(=O)C1=CC=CC=C1)C(=O)NCC2=CC=CC=C2 1 3.004 1 2 -9.16908775547651 852716 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC3=CN=CC=C3 1 3.293 2 2 7.45325349419337 852715 CCC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC3=CC=NC=C3 1 3.494 2 2 5.87857165639682 852714 CCC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=CN=CC=C3 1 3.487 2 2 7.62006880137116 852706 CC1=C(C2=C(C=C1)C(=C(O2)C(=O)NC3=CN=CC=C3)C)C 1 3.517 2 2 8.05481063354183 852704 CC1=CC(=C2C(=C(OC2=C1)C(=O)NCC3=CC=NC=C3)C)C 1 3.524 2 2 1.34905435693945 852700 CC1=CC2=C(C=C1)C(=C(O2)C(=O)NC3=CN=CC=C3)C 1 3.031 2 2 1.51960037676244 852690 CC1=CN=C(C(=N1)N(C)NC(=S)NC2=CC=CC=C2)C 1 2.411 5 0 -5.40095283865664 852687 CC1=CC=C(C=C1)NC(=S)NN(C)C2=NC(=NC(=C2)C)C 1 3.093 5 0 -9.29431125500867 852686 CC1=CC=C(C=C1)NC(=S)NN(C)C2=NC(=CN=C2C)C 1 2.897 5 0 -5.43259529461709 852683 CC1=CC(=NC(=N1)N(C)NC(=S)NC)C 1 1.061 5 0 0 -7.90014729162585 852671 C1=CC(=CC=C1C2=NN=NN2C3=CC=C(C=C3)N)N 1 1.148 6 0 0 -3.61596985744201 852667 CC1=CC(=NC(=N1)C)N(C)NC(=S)NC2=CC=CC=C2 1 2.607 5 0 -9.26266879904822 852657 CN1C(=NNC1=S)CCNC(=O)C2=CC=CC=C2Cl 1 2.074 4 1 -12.7452110819678 852656 CC1=CC=CC(=C1)C(=O)NCCC2=NNC(=S)N2C 1 1.896 4 1 0 -11.7980880681045 852655 CCN1C(=NNC1=S)CCNC(=O)C2=CC=C(C=C2)C 1 2.245 4 1 -12.1848402413395 852654 CC1=CC=C(C=C1)C(=O)NCCC2=NNC(=S)N2C 1 1.896 4 1 0 -11.9759389423625 852653 CCN1C(=NNC1=S)CCNC(=O)C2=CC=C(C=C2)Cl 1 2.423 4 1 -10.3628415507527 852652 CN1C(=NNC1=S)CCNC(=O)C2=CC=C(C=C2)Cl 1 2.074 4 1 -10.1539402517757 852651 CN1C(=NNC1=S)CNC(=O)C2=CC=CS2 1 1.115 4 1 0 -12.3340437902343 852648 C=CCN1C(=NNC1=S)CNC(=O)C2=CC=CS2 1 1.731 4 1 0 -17.0314668543561 852647 CCN1C(=NNC1=S)CNC(=O)C2=CC=CS2 1 1.463 4 1 0 -12.4567494788721 852586 CCN(CC)CCN1C(=O)C2=CC=CC=C2NC1=S 1 2.978 3 1 -5.68763954190844 852588 COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3NC2=S 1 3.709 2 2 -3.02946642497977 852642 C=CCN1C(=NNC1=S)CCNC(=O)C2=CC=CS2 1 1.98 4 1 0 -18.1333366806559 852641 CN1C(=NNC1=S)CCNC(=O)C2=CC=CS2 1 1.363 4 1 0 -13.3497180061949 852640 CCN1C(=NNC1=S)CCNC(=O)C2=CC=CS2 1 1.712 4 1 0 -13.5586193051719 852637 CC(C)C1=CC=C(C=C1)NC2=C(C=CC=N2)C#N 1 3.841 3 0 0.286857916900386 852636 CCC1=CC=C(C=C1)NC2=C(C=CC=N2)C#N 1 3.589 3 0 -0.236039915530335 852635 C1=CC(=C(N=C1)NC2=CC=C(C=C2)Cl)C#N 1 3.311 3 0 1.82539691083557 852634 C1=CC(=CC(=C1)Cl)NC2=C(C=CC=N2)C#N 1 3.311 3 0 3.04761450196201 852618 C1=CC=C(C(=C1)CC(=O)NC2=CN=C(C=C2)Cl)F 1 2.577 2 1 -8.87549203827393 852573 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C)SC 1 2.672 1 2 -8.04378466499828 852567 CN(C1=NC=CN=C1C#N)C(=O)C2=CC=CC=C2 1 1.365 4 1 0 -9.63653426830127 852562 CCOC(=O)C1=NC(=CN=C1C#N)C2=CC(=C(C=C2)OC)OC 1 2.383 3 4 0 -7.65050452806432 852561 COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4)OC 1 5.155 2 2 2.94851155078733 852547 CC1=CN=C2C(=N1)C(=O)N=C(N2)NC(=O)C(C)(C)C 1 1.104 5 2 0 -13.1081917470282 852542 CCNC1=C(N=C(C(=N1)C)CN(C2=CC=CC=C2)C(=O)C)C#N 1 1.94 5 1 0 -7.71658042354793 852520 C1=CC=C(C=C1)C(=O)CN2C(=O)C3=C(C2=O)N=CC=C3 1 1.396 2 3 0 -4.62474267054674 852515 CCC1=C(C(=C2C(=N1)N(N=C2SC)C3=CC=CC=C3)N)C(=O)OC 1 3.444 4 2 -8.14829357790545 852514 CCOC(=O)C1=C(N=C2C(=C1N)C(=NN2C3=CC=CC=C3)SC)C 1 3.125 4 2 -6.48506840914183 852513 CC1=C(C(=C2C(=N1)N(N=C2SC)C3=CC=CC=C3)N)C(=O)OC 1 2.777 4 2 -6.94643904752611 852511 CCOC(=O)C1=C(NN=C1NCC2=CC=CC=C2)C 1 2.082 3 2 -6.56538823126394 852507 COC1=CC2=C(C=C1)C=CN2S(=O)(=O)C3=CC=CC=C3 1 3.464 1 3 -4.64331416871949 852506 CC1=CC2=C(C=C1)N=C3N2C=C(C=C3)[N+](=O)[O-] 1 2.716 3 2 -0.815216039564209 852495 CC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)Br 1 3.548 2 0 2.55174052471868 852486 C1=CC=C2C(=C1)C=C(N2)C(=O)C3=CN=CC=C3 1 2.668 2 1 1.2934222975676 852483 C1=CC=C2C(=C1)C=C(N2)CC3=CN=CC=C3 1 2.817 2 0 4.7868981401654 852462 CC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)NC(=O)C 1 2.124 3 1 -3.46518082131318 852445 C1=CC=C2C(=C1)C=C(N2)C(CC3=CN=CC=C3)(CC4=CN=CC=C4)O 1 3.203 3 1 2.15514331386199 852443 CNC(=O)OCCC1=NC=CN1C 1 0.135 3 2 0 -5.20385670167974 852419 CNC(=O)OC1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)Cl 1 2.945 3 2 -3.3641674400218 852418 CC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)OC(=O)NC 1 2.767 3 2 -3.93987033127102 852406 CN(C)C(=O)OC1=CC=CC(=C1)C2=CN3C=C(C=CC3=N2)Cl 1 3.151 3 2 -1.32883462432182 852397 CN(C)C(=O)OC1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)C(F)(F)F 1 3.429 3 2 -0.526346000160891 852394 CNC(=O)OC1=CN2C=C(N=C2C=C1)C3=CC(=CC=C3)OC(=O)NC 1 2.044 4 4 0 -2.29309177801017 852390 CC(=O)NC1=CN2C=C(N=C2C=C1)C3=CC=CC=C3 1 1.637 3 1 0 -3.25499282614723 852359 CC1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)[N+](=O)[O-] 1 2.898 3 2 0.334879513540377 852355 C1CCCN(CC1)C(=O)CNS(=O)(=O)C2=CC(=C(C=C2)F)Cl 1 2.25 2 3 -9.77806448313959 852354 C1CCN(C1)C(=O)CNS(=O)(=O)C2=CC(=C(C=C2)F)Cl 1 1.337 2 3 0 -9.42359596897151 852353 C1CCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)F 1 2.398 2 3 -6.60038484015029 852351 C1=CC=C(C=C1)C2=NC(=NS2)NC(=O)CSC3=NC=NN3 1 2.084 6 1 0 -7.73669726250457 852350 C1=CC=C(C=C1)C2=NSC(=N2)NC(=O)CSC3=NC=NN3 1 1.799 6 1 0 -8.58893222026623 852345 CCC(=O)NC1=NC(=NS1)C2=CC=CC=C2 1 2.107 3 1 8.43152388827041e-002 852344 CC(=O)NC1=NC(=NS1)C2=CC=CC=C2 1 1.44 3 1 0 0.84173055012441 852341 CC(=O)NC1=NC(=NS1)C2=CC=C(C=C2)Cl 1 2.104 3 1 3.13824565702643 852322 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)NC(=O)C4=CC=CO4 1 3.686 2 2 -0.477844036164953 852318 CCSC1=NC(=NC(=C1)N2CCOCC2)C3=CC=C(C=C3)Cl 1 4.154 3 1 2.37272646214574 852314 CC(C)SC1=NC(=NC(=C1)N2CCCC2)C3=CC=CC=C3 1 4.64 3 0 2.80854212286059 852313 CC(C)SC1=NC(=NC(=C1)N2CCOCC2)C3=CC=CC=C3 1 3.867 3 1 0.864987485979739 852312 CCSC1=NC(=NC(=C1)N2CCCC2)C3=CC=CC=C3 1 4.263 3 0 2.01976599212457 852311 CCSC1=NC(=NC(=C1)N2CCCC2)C3=CC=C(C=C3)C 1 4.749 3 0 2.49428240843977 852310 CC(C)SC1=NC(=NC(=C1)N2CCCC2)C3=CC=C(C=C3)F 1 4.846 3 0 3.99493556464104 852309 CCSC1=NC(=NC(=C1)N2CCCC2)C3=CC=C(C=C3)F 1 4.468 3 0 3.20615943390502 852308 CC(C)SC1=NC(=NC(=C1)N2CCOCC2)C3=CC=C(C=C3)Cl 1 4.531 3 1 3.16150259288176 852307 CCSC1=NC(=NC(=C1)N2CCCC2)C3=CC(=CC=C3)C 1 4.749 3 0 5.4593255506638 852305 CCSC1=NC(=NC(=C1)N2CCCC2)C3=CC=CC=C3Cl 1 4.927 3 0 0.588988069684504 852304 CSC1=NC(=NC(=C1)N2CCOCC2)C3=CC=CC=C3Cl 1 3.805 3 1 0.586575087563933 852301 CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)NC4CCCCC4 1 2.565 4 2 -16.354118326333 852288 CN1C(=CC2=C1N=C3C=CC=CN3C2=O)C(=O)O 1 0.682 3 3 0 -11.628665174436 852281 C1CCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F 1 2.398 2 3 -6.31704113612026 852270 COC1=CC(=CC=C1)S(=O)(=O)NCC(=O)N2CCCCCC2 1 1.363 2 4 0 -11.002836033783 852269 COC1=CC(=CC=C1)S(=O)(=O)NCC(=O)N2CCCC2 1 0.451 2 4 0 -10.6483675196149 852268 CC1=CC(=C(C=C1)C)S(=O)(=O)NCC(=O)N2CCCC2 1 1.44 2 3 0 -10.8832320225814 852267 CC1=CC(=C(C(=C1C)S(=O)(=O)NCC(=O)N2CCCC2)C)C 1 2.412 2 3 -10.4286226255746 852266 CC1=CSC2=NC(=O)C3=C(N12)SC(=C3C)C 1 2.389 2 1 -8.95503982754097 852261 C1COC2=C(O1)C=CC(=C2)CSC3=NNC(=N3)N 1 1.817 4 2 0 -6.61799843579997 852255 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC3=C(C=C2)SC(=N3)C 1 3.634 2 2 -3.66168095692754 852250 CC1=C(SC(=C1CN2CCCCC2)NC(=O)C3=CC=CC=C3F)C 1 4.229 2 1 -6.08864127089407 852246 CC1=CSC2=NC(=O)C3=CC=CC=C3N12 1 1.971 2 1 0 -6.67126415099546 852235 CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC3=CN=CC=C3 1 3.171 2 2 -0.147864310047288 852234 COC1=CC(=CC=C1)S(=O)(=O)NC2=CN=CC=C2 1 1.15 2 3 0 -3.57558304783302 852233 C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)F 1 2.308 1 4 -5.0798141679774 852232 COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 1 2.087 1 5 -6.15711433043312 852230 CC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(S2)C 1 2.477 3 1 -15.5716767858084 852226 C1COCCN1C(=O)CSC2=NN=C3N2C4=CC=CC=C4C=C3 1 1.978 4 2 0 -17.0482694817485 852223 C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=CC(=C3)F 1 2.298 1 4 -3.05719545656964 852203 COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 2.91 1 3 -10.2819830318603 852201 CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 1 3.412 1 2 -9.86901682271621 852180 COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=CC(=C2)F)OC 1 2.818 1 4 -7.2467079045269 852179 CC1=CC(=CC=C1)S(=O)(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.099 1 4 -7.35474718097838 852177 CN1CCC2=CC(=C(C=C2CC1=O)OC)OC 1 1.32 1 3 0 -7.10535033392964 852174 CN1CCC2=CC=CC=C2CC1=O 1 1.353 1 1 0 -4.9245097589373 852165 CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3CCCCC3 1 3.74 2 1 3.19033229316178 852164 CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3CCCCC3 1 3.74 2 1 5.52291926484197 852163 CC1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 3.183 3 2 -3.06011719280621 852162 C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)NC(=O)C4=CC=CO4 1 2.697 3 2 -3.61201930579075 852161 CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)CC3=CC=C(C=C3)OC 1 3.296 2 2 -3.71894537340816e-002 852159 CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 2.673 2 2 1.74038308487282 852153 CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)OC 1 3.296 2 2 -2.36977642541427 852132 CC(C)CC(=O)NC1=CC=C(C=C1)C2=CN3C=CSC3=N2 1 2.743 3 1 -7.00692689985648 852125 CC1=NC(=CS1)C2=CC=C(C=C2)NS(=O)(=O)C 1 1.404 2 2 0 -0.287085042244641 852123 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCSC2 1 0.482 2 3 0 -14.638808335181 852121 CCOC(=O)C1=C(C(=C2N1C=CC3=CC=CC=C32)C#N)C 1 3.431 2 2 -6.25836983513922 852119 CCOC(=O)C1=C2C=C(C=CN2C(=C1)C(=O)C3=CC=CS3)C(=O)C 1 3.255 1 4 -8.48623842086706 852116 C1=CC=C2C(=C1)C=CC=C2CN3C=NC4=CC=CC=C4C3=O 1 3.448 2 1 -0.203730887557668 852113 CC1=C(C(=CC=C1)NC(=O)CN2C=NC3=CC=CC=C3C2=O)C 1 2.565 3 2 -8.74715689381618 852112 C1=CSC(=C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl 1 2.83 2 2 -4.23042260593088 852111 C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)C3=CC=CS3 1 2.165 2 2 -9.05116879329088 852096 COC1=CC(=C(C=C1)C2=NCCN3C2=CC=C3)OC 1 2.871 2 2 -3.47367118783661 852091 COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2C=CN=C3 1 1.839 3 2 0 -8.03583634679052 852078 C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=CC=C3 1 2.529 2 2 -5.89760696303797 852070 CC1=CC(=O)N=C(N1)NC(=O)CC2=CC=CC=C2 1 1.245 3 2 0 -14.1253962126599 852045 C1=CC=C2C(=C1)C=C(N2)C3=CN=CO3 1 2.122 2 1 4.90542274788059 852026 CC(=O)OC1=CC=C(C=C1)CN2C=NC3=CC4=CC=CC=C4C=C32 1 3.811 2 2 -4.39765614334744 852001 COC1=CC(=C(C=C1)OC)C(=O)C2=CC=CC=N2 1 2.479 1 3 -5.5810250032 851992 CN1C2=CC=CC=C2N=C1CN3CCN(CC3)C4=CC(=CC=C4)Cl 1 4.112 4 0 12.2012907219585 851991 CN1C2=CC=CC=C2N=C1CN3CCN(CC3)C4=CC=C(C=C4)OC 1 3.431 4 1 7.48312358980401 851982 C1CN(CCN1CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)Cl 1 3.364 3 1 -1.96535572330776 851980 CC1=CC(=CC=C1)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)Cl 1 3.939 3 1 0.946883969044522 851978 CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 3.179 3 1 0.220635160367268 851971 CC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C 1 1.602 3 1 0 -4.72811328570474 851970 CC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C3=CC=C(C=C3)C 1 3.76 3 1 -4.04149107437146 851964 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3N 1 2.776 2 1 -4.91777342228607 851963 CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CCC(=O)O 1 2.066 2 4 -14.3879276350721 851962 CC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)CCC(=O)O 1 2.066 2 4 -16.7221214019623 851959 C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=O)CCC(=O)O 1 0.769 2 5 0 -20.4189135173332 851958 C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)CCC(=O)O 1 1.908 2 4 0 -18.4263429578533 851956 C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CCC(=O)O 1 1.587 2 4 0 -19.1512605180579 851955 CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CCC(=O)O 1 2.066 2 4 -12.5976763082678 851922 COC(=O)/C=C/C(=O)NC1=CN=CC=C1 1 0.268 2 3 0 -5.93186161945227 851920 COC(=O)/C=C/C(=O)NC1=CC(=C(C=C1)O)Cl 1 1.841 1 4 0 -0.604816474792128 851916 COC(=O)/C=C/C(=O)NC1=CC=CC(=C1)C(F)(F)F 1 2.361 1 3 -0.96930488868175 851909 COC(=O)/C=C/C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl 1 2.342 2 3 2.04411240169606 851905 CC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C(=O)OC 1 2.164 2 3 -1.3584764314049 851903 COC(=O)/C=C/C(=O)N1CCN(CC1)C2=CC=CC=C2 1 1.678 2 3 0 -2.61978594298132 851895 CCOC(=O)NC1=NC(=C(S1)C(=O)C2=CC=C(C=C2)Cl)C 1 3.582 2 3 -4.54840958435906 851893 CC1=C(SC(=N1)NC)C(=O)C2=CC=C(C=C2)Cl 1 2.806 2 1 -3.55687023522529 851892 COC(=O)NC1=NC(=C(S1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.233 2 3 -2.74197327705803 851891 CC1=C(SC(=N1)NC(=O)OC)C(=O)C2=CC=CC=C2 1 2.569 2 3 -7.15906070163844 851880 C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC=CC=C3NC(=O)N 1 2.433 3 2 -4.76720225511978 851877 C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)N 1 1.853 3 2 0 -10.7081482888689 851839 COC1=CC=C(C=C1)CNC(=O)N 1 0.73 2 2 0 -5.24552870379575 851833 C1CN(CCN1)C2=C(C(=CC=C2)Cl)Cl 1 2.742 2 0 -1.40932137342837 851827 CC(=O)N1CCN(CC1)C(=O)CCC(=O)O 1 -1.359 2 4 0 -12.6978599541828 851820 C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=CC=C3N 1 2.034 2 2 0.913411063579093 851796 C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCC(=O)O 1 1.718 2 3 0 -2.85726205559359 851795 CC1=NN=C(S1)CC(=O)C2=CC=C(C=C2)OC 1 1.852 2 2 0 -6.17741929190838 851794 CC1=CC=C(C=C1)C(=O)CC2=NN=C(S2)C 1 2.354 2 1 -5.95274967709805 851793 CC1=NN=C(S1)CC(=O)C2=C(C=C(C=C2)OC)OC 1 1.835 2 3 0 -5.53851526362333 851790 C1=CC=C(C=C1)C(=O)NC(=O)NC2=CC=CC=C2N 1 1.648 3 2 0 -7.49991042762673 851777 C1=CC=C(C=C1)C2=NC(=O)NN2C3=CC=CC=C3 1 2.656 3 1 6.671254192067e-002 851776 C1=CC=C(C=C1)C2=NC(=O)NN2C3=CC=C(C=C3)Cl 1 3.32 3 1 2.44304588969797 851756 C1=CC=C(C=C1)/C=C/2\N=C(C(=O)O2)C3=CC=CC=C3 1 3.778 1 2 -1.14772609240821 851706 C1=CC=C(C=C1)CSC2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)N2N 1 3.473 5 1 -12.3107223594591 851643 CCC(=O)NC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3S2 1 3.461 2 2 -2.8520266587957 851642 CCNC(=S)NC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3S2 1 4.705 3 1 -6.51039594211695 851626 C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NN=C(S3)N 1 1.447 5 1 0 -10.4139649493882 851625 C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NC=CC=N3 1 1.92 4 1 0 -6.19641236638725 851623 CN1C(=NN=N1)SCC2=CC=C(C=C2)C(=O)NC3=NC=CS3 1 1.589 6 1 0 -21.5245701789325 851622 CN1C(=NN=N1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 1.03 6 1 0 -16.7217354730681 851621 CC1=NN=C(S1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3 1 1.913 4 1 0 -14.0192301657204 851620 CC1=NC(=NC=C1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.291 4 1 -9.43534142656186 851619 CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=CC=C3)N 1 3.924 4 0 -5.30197456450829 851616 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=CC(=N3)C 1 4.251 3 1 -13.4933019542159 851613 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=NN3C 1 3.078 5 1 -19.5213990149888 851612 C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=CC=N3 1 3.482 3 1 -10.0470239049789 851611 CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=CC=CC=N3 1 4.614 2 1 -9.74566341535658 851610 C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=CC=CC=N3 1 4.128 2 1 -10.0707305507423 851608 C1CCC2=C(C1)C3=CC=CC=C3N2C(=O)CSC4=NC=CC=N4 1 4.296 3 1 -2.78454884424014 851603 CN1C(=NN=N1)SCC(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.189 5 1 -17.3816589947621 851601 CC1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2NC=N3 1 1.965 5 1 0 -8.843112302024 851600 CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC=NC3=C2NC=N3 1 2.452 5 1 -12.5093995390482 851598 CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC=NC3=C2NC=N3 1 2.452 5 1 -12.9502849366338 851597 C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)Br 1 3.175 4 0 -4.76116253254353 851596 CC1=CC(=C(C(=C1)C)CSC2=NC=NC3=C2NC=N3)C 1 3.885 4 0 -4.66209964895584 851569 C1=CC=C(C=C1)C(=O)C2=NN(C=C2C#N)C3=CC=CC=C3 1 3.768 3 1 0.502827441404538 851565 CC(=O)NCC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2 1 2.966 2 1 2.48561480618142 851542 COC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)N3CCCC3)Cl)OC 1 4.476 2 2 -0.995435020556002 851534 C1=CC(=CC=C1CNC2=NC=NN2)N 1 0.304 5 0 0 -2.31016881683507 851527 C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=CC=CO4 1 4.016 4 2 -5.01388381740979 851526 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CN=CC=C4 1 3.473 3 1 0.189390090545716 851524 CC1=C(SC=C1)CNN2C=NN=C2SCC3=CC=CC=C3F 1 3.59 4 0 -10.1329156221973 851522 CC1=NN=C(N1NCC2=CC=CS2)SCC3=CC=CC=C3F 1 3.364 4 0 -12.2989575264038 851519 C1=CC=C2C(=C1)C=CC=C2CNC3=CC=C(C=C3)CNC4=NC=NN4 1 3.352 5 0 -1.95003471924815 851518 C1=CC(=CC=C1CNC2=NC=NN2)NCC3=CC=C(C=C3)F 1 2.649 5 0 -3.43488118054243 851517 C1=CC(=CC=C1CNC2=NC=NN2)NCC3=CC=C(C=C3)Cl 1 3.108 5 0 -2.32475951542086 851516 CC1=CC=C(C=C1)CNC2=CC=C(C=C2)CNC3=NC=NN3 1 2.929 5 0 -4.14675820600768 851515 C1=CC=C(C=C1)CNC2=CC=C(C=C2)CNC3=NC=NN3 1 2.443 5 0 -4.68004568617698 851513 CCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)CNC3=NC=NN3 1 2.776 5 1 -5.32594756685984 851512 COC1=CC=CC=C1CNC2=CC=C(C=C2)CNC3=NC=NN3 1 2.427 5 1 -6.57957704811677 851510 C1=CC(=CC=C1CNC2=NC=NN2)NCC3=C(C=C(C=C3)Cl)Cl 1 3.772 5 0 -2.86846556475351 851480 CCCN1C(=NN=N1)NC(=O)C2=CC=CS2 1 1.292 5 1 0 -18.6533180384922 851478 CCCN1C(=NN=N1)NC(=O)COC2=CC(=C(C=C2)Cl)C 1 2.325 5 2 0 -16.5299060035181 851477 CCCN1C(=NN=N1)NC(=O)COC2=CC=C(C=C2)CC 1 2.116 5 2 0 -17.5223916284808 851476 CCCN1C(=NN=N1)NC(=O)COC2=CC=C(C=C2)Br 1 1.922 5 2 0 -17.1359138504234 851473 CC(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2 1 2.894 3 2 -4.68175689847117 851472 CC1=C(C(=O)NC(=O)N1)NC(=O)C2=CC=CS2 1 -5.6e-002 3 3 0 -17.0418713099273 851471 CC1=C(C(=O)NC(=O)N1)NS(=O)(=O)C2=CC=CC=C2 1 -0.306 3 4 0 -15.8150359852816 851469 C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F 1 2.581 2 2 -3.75516803444981 851468 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCOCC3 1 2.359 2 3 -4.9926673568833 851465 CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CN3CCOCC3 1 2.862 2 2 -7.2146986293763 851464 C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3 1 3.284 2 2 -1.87666341966732 851462 C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 1.771 2 3 0 -3.67384874955236 851460 CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)CN2CCOCC2 1 2.992 3 2 -10.820728593645 851459 CCCC(=O)NC(=S)NC1=CC=C(C=C1)CN2CCOCC2 1 2.986 3 2 -12.4497180181275 851455 CC1=CC=CC(=C1OC)C(=O)NC2=CC=C(C=C2)CN3CCOCC3 1 2.845 2 3 -5.53600629605114 851453 C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 2.581 2 2 -3.86782412227391 851446 C1=CC=C(C=C1)C2=NOC(=N2)C3=CC4=CC=CC=C4OC3=O 1 3.175 2 3 6.20066445379293 851436 COC1=CC=C(C=C1)C2=NOC(=N2)C3=CC4=CC=CC=C4OC3=O 1 3.158 2 4 6.43062765797639 851435 CC1=CC=CC(=C1)C2=NOC(=N2)C3=CC4=CC=CC=C4OC3=O 1 3.661 2 3 9.85108068704142 851432 CC1=C(C(=NN1CC2=NC(=NO2)C3=CC(=CC=C3)OC)C)[N+](=O)[O-] 1 1.952 5 4 0 3.05283732290494 851428 CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC4=CC=CC=C4OC3=O 1 3.661 2 3 6.84359386712053 851392 CCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C 1 2.044 2 3 -2.28990915500215 851391 CCOC(=O)C1=CC(=O)N(N1)C2=C(C=C(C=C2)Cl)C 1 2.083 2 3 0.770803319024383 851390 CCOC(=O)C1=NN(C=CC1=O)C2=C(C=C(C=C2)Cl)C 1 3.172 2 3 -0.360535320170952 851384 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O 1 1.361 2 5 0 -11.254574765393 851383 CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O 1 1.361 2 5 0 -13.0364959886717 851382 C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=NN=CS3 1 0.67 4 2 0 -7.05275224061955 851381 CC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)NC2=CC=CC=C2C 1 2.816 1 4 -8.92581510677939 851380 CC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)NC2=CC=CC=C2 1 2.329 1 4 -7.10774139706666 851376 CN(CC(=O)NC1=CC=CC=N1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 1.636 3 3 0 -7.26048710359311 851373 CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)OCC(=O)N)C)Cl 1 1.632 2 4 0 -8.76407736385912 851372 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)N2CCCC2)Cl 1 1.396 2 4 0 -12.6866885151604 851371 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC(C)C)Cl 1 1.455 2 4 0 -10.6852663950447 851369 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)N(C)C)Cl 1 0.935 2 4 0 -6.69011307984924 851368 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC)Cl 1 0.729 2 4 0 -7.38976016357181 851367 CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)N)Cl 1 0.523 2 4 0 -6.47037694850315 851361 CCNS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)NC2CCCCC2 1 2.139 2 4 -14.5982877664718 851353 CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)C(=O)O 1 2.417 1 5 -6.22116452938909 851349 CC1=C(C=C(C=C1)S(=O)(=O)NC)S(=O)(=O)NC 1 0.138 2 4 0 -10.2058146024904 851339 CC1=CC(=CC=C1)NC(=O)CCSC2=CC=CC=N2 1 3.131 2 1 -7.55522162596635 851338 CC1=CC(=CC=C1)NC(=O)CCSC2=NN=CN2C 1 1.854 4 1 0 -14.7807063086993 851336 CC1=CC=C(C=C1)NC(=O)CCSC2=CC=CC=N2 1 3.131 2 1 -9.3454729527707 851335 C1=CC=NC(=C1)SCCC(=O)NC2=CC=C(C=C2)Br 1 3.393 2 1 -8.98013400728532 851334 CN1C=NN=C1SCCC(=O)NC2=CC=C(C=C2)Cl 1 2.032 4 1 -14.8463531714416 851332 CC1=CC=CC=C1NC(=O)CCSC2=NN=NN2C3=CC=CC=C3 1 3.171 5 1 -21.9465367218638 851331 C1COCCN1C(=O)CCSC2=NN=NN2C3=CC=CC=C3 1 1.002 5 2 0 -22.955594188032 851328 CC1=CC(=NC(=N1)SCCC(=O)NC2=CC=CC3=CC=CC=C32)C 1 3.472 3 1 -11.697994254107 851327 CC1=CC=C(C=C1)NC(=O)CCSC2=NC(=CC(=N2)C)C 1 3.05 3 1 -10.9099430933345 851325 CC1=CC=CC=C1NC(=O)CCSC2=NC(=CC(=N2)C)C 1 3.05 3 1 -13.4746358693268 851324 CC1=CC(=NC(=N1)SCCC(=O)NC2=CC=C(C=C2)F)C 1 2.769 3 1 -10.0097694735354 851323 CC1=CC(=NC(=N1)SCCC(=O)NC2=CC=CC=C2)C 1 2.563 3 1 -10.878300637374 851320 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC(C)(C)C 1 1.833 1 3 0 -14.5461088035211 851319 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=C(C=C2)C(C)(C)C 1 4.498 0 3 -3.6249291747664 851316 C1CCCN(CC1)C(=O)CS(=O)(=O)C2=CC=CC=C2 1 1.995 1 3 0 -11.0054513664212 851314 CC(C)(C)C1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2 1 4.012 0 3 -4.52093881400256 851309 C1CCCN(CC1)C(=O)CS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.903 1 3 -9.3651261589275 851303 CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC(C)(C)C 1 3.763 1 1 -7.67130949916517 851301 CN(C)C(=O)CSC1=CC=CC2=C1N=CC=C2 1 1.823 2 1 0 -8.04941044229815 851296 CCNC(=O)CCSC1=NC2=C(O1)C=CC(=C2)Cl 1 2.76 2 2 -7.43131200035977 851291 CN(C)C(=O)CSC1=NC2=CC=CC=C2N1CC3=CC=CC=C3 1 3.484 3 1 -12.7817530451261 851288 CC1=CC=CC=C1C2=NN=C(O2)SCCC(=O)N3CCOCC3 1 1.9 3 3 0 -14.9144122474079 851283 CC1=CC=C(C=C1)C2=NN=C(O2)SCCC(=O)N3CCOCC3 1 1.9 3 3 0 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C1COCCN1C(=O)CCSC2=NN=C(O2)C3=CC=CO3 1 0.809 3 4 0 -14.7982781108833 851239 CCNC(=O)CCSC1=NN=C(O1)C2=CC=CO2 1 1.264 3 3 0 -14.8395532379307 851238 CCN(CC)C(=O)CCSC1=NN=C(O1)C2=CC=CO2 1 1.819 3 3 0 -16.9131401752371 851237 CN(C)C(=O)CCSC1=NN=C(O1)C2=CC=CO2 1 1.121 3 3 0 -12.2938284926152 851236 CC(C)(C)C(=O)N1C(=O)OC(=N1)C2=CC=CC=C2 1 3.057 2 3 -5.64129772591947 851232 CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl 1 3.535 4 2 2.28852334379529 851220 CC1=CC2=C(C=C1)OC(=O)N2CCOC3=CC=CC=C3OC 1 3.648 1 4 -2.28591530300962 851219 CC1=CC2=C(C=C1)OC(=O)N2CCOC3=CC=CC=C3Cl 1 4.328 1 3 1.01755299611928 851218 CC1=CC=C(C=C1)OCCN2C3=C(C=CC(=C3)C)OC2=O 1 4.15 1 3 0.689714274215389 851217 CC1=CC(=CC=C1)OCCN2C3=C(C=CC(=C3)C)OC2=O 1 4.15 1 3 1.32567565663975 851216 CC1=CC2=C(C=C1)OC(=O)N2CCOC3=CC=CC=C3C 1 4.15 1 3 1.4862506555174 851215 CC1=CC2=C(C=C1)OC(=O)N2CCOC3=CC=CC=C3 1 3.664 1 3 0.847894954456483 851213 CC1=CC2=C(C=C1)OC(=O)N2CC3=CC=C(C=C3)OC(C)C 1 4.325 1 3 0.690513062521219 851211 CC1=CC2=C(C=C1)OC(=O)N2CC3=CC=CC=C3OC 1 3.599 1 3 -0.92816375346319 851180 C1=CC(=C(C=C1Cl)Cl)C2=CC=C(O2)C(=O)NC3=NC=CS3 1 4.145 2 2 3.21543949803404 851173 CCC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32 1 2.272 2 3 -16.2415098063144 851158 CNC(=O)C1=C(N=CN1)C(=O)NC2=CC=CC=N2 1 -0.182 5 2 0 -10.1725132712353 851156 CNC(=O)C1=C(N=CN1)C(=O)NC2=CC(=CC=C2)OC 1 0.413 4 3 0 -10.7469934066977 851155 CNC(=O)C1=C(N=CN1)C(=O)NC2=CC=CC=C2OC 1 0.413 4 3 0 -14.1321375450191 851126 COC(=O)C1=CSC=C1S(=O)(=O)CC2=CC=CC=C2 1 2.456 0 4 -11.5059872917081 851115 C1CC2=C(C3=CC=CC=C31)N=NS2 1 2.792 2 0 1.60930218820957 851112 CC1(CCC2=C(C1)C=C(C(=N2)SCC3=CC=CC=C3)C#N)C 1 5.201 2 0 -12.3364098146478 851062 CN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)Cl)C(=N1)N 1 2.374 6 0 6.44372058779713e-002 851061 CN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3)C(=N1)N 1 1.71 6 0 0 -2.23207790102405 851058 C1CSC2=NC(=O)/C(=C/C3=C(C=CC=C3Cl)Cl)/N21 1 3.556 2 1 -9.47772545888852 851056 C1CSC2=NC(=O)/C(=C/C3=CC=CC=C3Cl)/N21 1 2.891 2 1 -7.30297625316707 851054 COC1=CC=C(C=C1)/C=C\2/C(=O)N=C3N2CCS3 1 2.21 2 2 -10.1470020148572 851047 CCN1CCCN2C1=NC3=C2C(=O)N(C(=O)N3C)C 1 0.213 5 2 0 -13.0165790696343 851036 CSC1=CC=CC(=C1)NC(=O)COC2=CC=CC=C2 1 2.991 1 2 -2.84882633923777 851028 CSC1=C(C=NN(C1=O)C2=CC=CC=C2)SCC3=CC=CC=C3 1 3.553 2 1 -5.33468862683455 851026 COC1=C(C(=O)N(N=C1)CC2=CC=CC=C2)SCC3=CC=CC=C3 1 3.002 2 2 -5.80499951170142 851025 C1COCCN1C2=CC(=O)N(N=C2)C3=CC=CC=C3 1 0.936 3 2 0 -2.4993326261468 851023 CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)OC)SCC3=CC=CC=C3 1 3.481 2 2 -6.27912650148008 851010 CSC1=C(C(=O)NC(=N1)C2=C(C=C(C=C2)Cl)Cl)C#N 1 3.308 3 1 -2.21655067443968 851001 CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)C#N)N 1 1.656 4 2 0 -9.18115375870471 851000 C1COCCN1C(=S)C2=CC=CN2 1 1.74 2 1 0 -4.34054736267513 850989 COC(=O)C1=C(NC(=NC1=O)C2=CC=CC=C2)S(=O)(=O)C 1 0.94 2 5 0 -11.0861530110385 850970 C1=CC=C2C(=C1)C=CC=C2CCNC3=NC=NC4=C3NC=N4 1 2.45 5 0 -0.155858179140659 850944 C1CN(CCN1CC#N)C2=CC=C(C=C2)C(F)(F)F 1 2.622 3 0 6.12710745630131 850937 COC1=CC=CC(=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N 1 1.682 2 3 0 -3.29407182367023 850930 C1=CC=C2C(=C1)C(=CC3=C2N=CC=C3)Cl 1 3.589 1 0 3.03950281198202 850907 CCC1=CC=CC=C1NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C 1 3.929 3 1 -4.27249905601675 850904 CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC)OC 1 2.953 3 3 -7.40421292929086 850903 CCC1=CC(=CC=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C 1 3.929 3 1 -1.32214322423847 850902 CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)OC)OC 1 2.953 3 3 -6.55246268966155 850901 CCC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C 1 3.929 3 1 -2.31353231603702 850900 CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)OC)OC 1 2.953 3 3 -4.64509481099461 850862 CC1=C(SN=N1)C(=O)NC2=C(C=CC(=C2)Cl)Cl 1 3.062 3 1 -8.45816361461025 850851 CCCC1=NN(C(=C1Cl)C(=O)NC2=CC(=CC=C2)Cl)C 1 4.29 3 1 -0.796224800816547 850847 CCCC1=NN(C(=C1Cl)C(=O)NC2=CC=C(C=C2)CC)C 1 4.568 3 1 -2.75010388857545 850846 CC1=C(C=NO1)C(=O)NC2=CC=CC(=C2)C#N 1 1.093 3 2 0 -5.48354630763676 850844 CCCC1=NN(C(=C1Cl)C(=O)NC2=CC=CC(=C2)CC)C 1 4.568 3 1 -1.66132057025212 850835 C1=CC(=CN=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(F)(F)F 1 2.845 3 1 6.3967361293917 850817 CCCC1=NN(C(=C1Cl)C(=O)NC2=CC=CC(=C2)C)C 1 4.112 3 1 -0.841319502674384 850811 CCCC1=NN(C(=C1Cl)C(=O)NC2=CC=C(C=C2)Cl)C 1 4.29 3 1 -1.72309536693517 850803 CC1=C(SN=N1)C(=O)NC2=C(C(=CC=C2)Cl)Cl 1 3.062 3 1 -10.4498791174054 850802 CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)Cl 1 2.397 3 1 -8.63115524334166 850800 CC1=C(C=CC=C1Cl)NC(=O)C2=C(N=NS2)C 1 2.884 3 1 -9.29520171835126 850791 CC1=CC=C(C=C1)NC(=O)CC2=NOC3=CC=CC=C32 1 3.218 2 2 -4.44829410168543 850787 CC1=CC2=C(C=C1)ON=C2CC(=O)O 1 2.063 1 3 -1.69292107713772 850775 CCCC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C 1 4.365 3 2 -12.3529615832715 850765 CCCC1=NN(C(=C1)C(=O)NC2=CC=CC3=CC=CC=C32)C 1 3.87 3 1 -11.1406423635542 850749 C1=CC=C2C=C(C=CC2=C1)NC(=O)CC3=NOC4=CC=CC=C43 1 3.64 2 2 -2.54576339071743 850741 CC1=C(SC(=N1)Cl)C(=O)NC2=CC=CC=C2Cl 1 3.184 2 1 -5.16056467879937 850740 CC1=C(SC(=N1)Cl)C(=O)NC2=CC=CC=C2C(=O)OC 1 2.375 2 3 -11.4524581622467 850739 CN(C1=CC=C(C=C1)OC)C(=O)C2=C3CCCCC3=NO2 1 3.07 2 3 -3.92064974180557 850738 CC1=C(SC(=N1)Cl)C(=O)NC2=CC=CC=C2OC 1 2.504 2 2 -7.87681469626232 850735 CC1=C(SC(=N1)Cl)C(=O)NC2=CC=CC3=CC=CC=C32 1 3.428 2 1 -5.32144770381333 850704 CC1=CC(=C(C=C1)N(C)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)C)C 1 4.165 3 1 -1.64953022809599 850703 CC1=CC=CC=C1NC(=O)C2=C(N=C(S2)Cl)C3=CC=CC=C3 1 4.67 2 1 -2.05239284501759 850702 COC1=CC=C(C=C1)NC(=O)C2=C(N=C(S2)Cl)C3=CC=CC=C3 1 4.168 2 2 0.17743692406552 850698 CC1=CC=C(C=C1)NC(=O)C2=C(N=C(S2)Cl)C3=CC=CC=C3 1 4.67 2 1 0.59040313320966 850696 C1=CC=C(C=C1)C2=C(SC(=N2)Cl)C(=O)NC3=CC(=CC=C3)F 1 4.39 2 1 2.28401457231533 850695 CC1=CC(=CC=C1)NC(=O)C2=C(N=C(S2)Cl)C3=CC=CC=C3 1 4.67 2 1 2.38065446001401 850694 CC1=CC(=C(C=C1)C)NC(=O)C2=C(N=C(S2)Cl)C3=CC=CC=C3 1 5.157 2 1 -1.09792875570797 850692 CC1=C(C=C(C=C1)NC(=O)C2=C(N=C(S2)Cl)C3=CC=CC=C3)C 1 5.157 2 1 0.342488318569546 850652 C1=CC(=CC=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)F)F 1 3.348 4 0 -7.8895071726066e-002 850684 CC1=C(C=NN1C2=CC=CC=C2)C(=O)N(C)C3=CC=C(C=C3)Cl 1 3.856 3 1 1.23183151724238 850682 CC1=C(C=NN1C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)OC 1 3.617 2 3 -2.70930164388416 850681 CC1=C(C=NN1C2=CC=CC=C2)C(=O)OC3=CC=CC4=CC=CC=C43 1 4.542 2 2 -1.54152767155812 850678 CC1=C(C=NN1C2=CC=CC=C2)C(=O)N(C)C3=CC(=CC=C3)Cl 1 3.856 3 1 1.53173195290927 850677 CC1=CC(=CC=C1)N(C)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)C 1 3.678 3 1 -0.302313661502625 850671 CC1=C(C=NN1C2=CC=CC=C2)C(=O)N(C)C3=CC=CC=C3Cl 1 3.856 3 1 -3.28268448382216 850670 CC1=CC(=C(C=C1)C)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C 1 3.959 3 1 -3.95072266350937 850668 CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)F)F 1 3.397 3 1 -1.59695104564372 850621 COC1=CC=CC(=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(F)(F)F 1 3.98 2 2 10.6956306166342 850594 C1=CC=C(C=C1)CCC2=NN3C(=NN=C3S2)CC4=CC=CC=C4 1 3.904 4 0 -6.6541707904984 850582 CC1=C(C(=CC=C1)C)NC(=O)C2=C(N=C(S2)Cl)C 1 3.492 2 1 -5.76828402320128 850581 CC1=C(SC(=N1)Cl)C(=O)NC2=CC(=CC(=C2)F)F 1 2.931 2 1 -4.03370052588836 850580 CC1=CC(=C(C(=C1)OC(=O)C2=C(N=C(S2)Cl)C)C)C 1 4.626 1 2 -3.86372030139381 850573 CC1=C(SC(=N1)Cl)C(=O)NC2=CC3=CC=CC=C3C=C2 1 3.428 2 1 -2.36446603550409 850571 CC1=C(SC(=N1)Cl)C(=O)NC2=CC=C(C=C2)C(C)(C)C 1 3.92 2 1 -1.85727559437318 850555 CC1=C(C=CC=C1Cl)NC(=O)C2=C(N=C(S2)Cl)C 1 3.67 2 1 -4.09358652942575 850554 CC1=C(SC(=N1)Cl)C(=O)NC2=CC(=CC=C2)OC 1 2.504 2 2 -4.49167055794096 850553 CC1=C(SC(=N1)Cl)C(=O)NC2=CC=CC(=C2)C(=O)C 1 2.26 2 2 -7.0063736666056 850550 CC1=CC(=C(C=C1)NC(=O)C2=C(N=C(S2)Cl)C)C 1 3.492 2 1 -7.29573764001991 850549 CC1=CC=CC=C1NC(=O)C2=C(N=C(S2)Cl)C 1 3.006 2 1 -7.09808931903313 850548 CC1=C(SC(=N1)Cl)C(=O)NC2=CC(=CC=C2)Cl 1 3.184 2 1 -2.50266948829752 850547 CC1=C(C(=CC=C1)NC(=O)C2=C(N=C(S2)Cl)C)C 1 3.492 2 1 -3.52713727113479 850546 CC1=CC(=C(C=C1)C)NC(=O)C2=C(N=C(S2)Cl)C 1 3.492 2 1 -6.31203822673592 850531 CC1=C2C(=CC=C1)SC(=N2)N3C(=C(C=N3)C(=O)OC)C 1 3.169 3 2 -0.986909889617053 850521 CC1=C(C=NO1)C(=O)NC2=CC=CC(=C2)C(=O)OC 1 1.069 2 4 0 -7.48433146503737 850505 CC1=CC(=CC=C1)OC2=NC=NC(=C2)N3C(=C(C=N3)C(=O)C)C 1 3.287 4 2 -3.40511340121645 850503 CC1=CC=CC=C1OC2=NC=NC(=C2)N3C(=C(C=N3)C(=O)C)C 1 3.287 4 2 -5.26093575796239 850497 CCOC(=O)C1=C(N(N=C1)C2=CC(=NC=N2)OC3=CC=CC=C3C)N 1 2.984 5 3 0 -5.84733845587397 850484 CC1=CC=CC=C1OC2=NC=NC(=C2)N3C(=O)C(=C(C=N3)Cl)Cl 1 3.561 4 2 6.51983150971624 850475 CC1=C(SC(=N1)Cl)C(=O)N(C)C2=CC=C(C=C2)OC 1 2.709 2 2 -3.68780650074962 850474 COC(=O)C1=CC(=CC=C1)NC(=O)C2=C3CCCCC3=NO2 1 2.735 2 4 -8.10198710203475 850473 CC1=CC=CC=C1NC(=O)C2=C3CCCCC3=NO2 1 3.366 2 2 -6.67512169539275 850471 CC1=C(C(=CC=C1)NC(=O)C2=C3CCCCC3=NO2)C 1 3.852 2 2 -3.10416964749441 850450 CC1=NN=C2N1N=C(S2)C3=CC=CO3 1 1.109 4 1 0 -3.03038956532179 850411 CN1C(=C2CCCCC2=N1)C(=O)O 1 1.921 2 2 0 -6.13589300922604 850410 CC1=CC=CC=C1CC2=NNC(=S)N2N 1 1.925 4 0 0 -7.07339710826354 850409 CCN1C(=CC(=N1)C)C2=NNC(=S)N2N 1 0.976 6 0 0 -9.89484038374566 850408 C1CCC2=NOC(=C2C1)C(=O)NC3=CC=CC=N3 1 2.268 3 2 -3.68251939317191 850407 CC1=NC(=CC=C1)NC(=O)C2=C3CCCCC3=NO2 1 2.551 3 2 -3.5037169408856 850386 CC1=CC(=CC=C1)OC2=NC=NC(=C2)N3C(=C(C=N3)C(=O)OC)N 1 2.635 5 3 0 -3.53600910010706 850382 C1CCC2=NOC(=C2C1)C(=O)NC3=CC4=CC=CC=C4C=C3 1 3.788 2 2 -2.12979500619751 850381 C1CCC2=NOC(=C2C1)C(=O)NC3=CC=CC4=CC=CC=C43 1 3.788 2 2 -5.08677667450675 850378 CCOC(=O)C1=C(N(N=C1)C2=CC(=NC=N2)OC3=CC=CC(=C3)C)N 1 2.984 5 3 0 -3.99151609912803 850367 COC1=CC=C(C=C1)NC2=NC(=NC=C2)NC3=CC=C(C=C3)OC 1 2.904 4 2 -1.20373830633546 850364 CC1=C(C(=CC=C1)C)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C 1 3.959 3 1 -3.50436268649951 850362 CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)C 1 2.726 3 2 -4.74245232990383 850360 CC1=C(C(=CC=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C)C 1 3.959 3 1 -1.26321593443302 850359 CCOC(=O)C1=C(N(N=C1)C2=NC(=CC(=N2)OC)OC)C(F)(F)F 1 3.282 4 4 0 -8.92122080196824 850357 CCCC1=NN(C(=C1Cl)C(=O)NC2=CC=CC3=CC=CC=C32)C 1 4.534 3 1 -3.61500301633236 850356 CC1=C(C=NN1C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3 1 2.993 3 1 -6.59179664224102 850355 CC1=CC=CC=C1NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C 1 3.472 3 1 -4.90518675281898 850354 CC1=CC(=NN1C2=CC(=NC=N2)OC3=CC=CC=C3OC)C 1 3.327 4 2 -5.33280754665024 850353 CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3F 1 3.192 3 1 -3.40704852950657 850352 CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC 1 2.97 3 2 -2.22774922123919 850351 CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C)C 1 3.959 3 1 -4.93442207679336 850345 C1=CC=C(C=C1)OC2=NC=NC(=C2)N3C=NC=N3 1 2.232 5 1 -3.8809790779484 850344 C1=CC=C(C=C1)OC2=NC=NC(=C2)N3C(=C(C=N3)C(=O)N)N 1 1.296 6 2 0 -3.40508952470713 850342 CCOC(=O)C1=C(N(N=C1)C2=CC(=NC=N2)OC3=CC=CC=C3)N 1 2.498 5 3 0 -5.73799438753216 850340 COC(=O)C1=C(N(N=C1)C2=CC(=NC=N2)OC3=CC=CC=C3)N 1 2.149 5 3 0 -5.28248738851119 850333 CCOC1=CC(=NC(=N1)N2C(=C(C=N2)C(=O)OCC)C)OCC 1 2.891 4 4 0 -5.68867016143438 850332 CC1=C(C=NN1C2=NC(=CC(=N2)OC)OC)C(=O)OC 1 1.845 4 4 0 -7.19250819487989 850331 CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC 1 2.97 3 2 -2.48706038940207 850330 CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)F 1 3.192 3 1 -0.380482741152264 850329 CC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C 1 3.472 3 1 -2.26239077459174 850328 CC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C)C 1 3.959 3 1 -2.51030558923185 850326 CCCC1=NN(C(=C1Cl)C(=O)NC2=CC(=C(C=C2)C)C)C 1 4.598 3 1 -2.97687987064363 850318 CCCC1=NN(C(=C1Cl)C(=O)NC2=CC=CC=C2)C 1 3.626 3 1 -2.88561919437686 850309 CC1=CC=C(C=C1)OC2=NC=NC(=C2)N3C(=CC(=N3)C)C 1 3.83 4 1 -2.27493089579645 850303 CC1=C(C=NO1)C(=O)NC2=CC3=CC=CC=C3C=C2 1 2.122 2 2 -1.51213936920012 850302 CC1=C(C=NO1)C(=O)NC2=CC=CC3=CC=CC=C32 1 2.122 2 2 -4.46912103750937 850299 CC1=CC(=NN1C2=CC(=NC=N2)OC3=CC=CC=C3)C 1 3.344 4 1 -2.57486831343145 850265 COC1=CC(=NC(=N1)OC2=CC=CC=C2C(=O)OC)Cl 1 3.384 2 4 -10.2171429173996 850264 CCOC(=O)C1=C(C(=NN1C2=NC(=CC(=N2)OC)OC)C)Cl 1 3.286 4 4 0 -5.27273218380487 850262 COC1=CC(=NC(=N1)N2C(=O)C(=C(C=N2)OC)Br)OC 1 1.406 4 4 0 -4.86158502805289 850257 CC1=C(C=C(C=C1)OC(=O)C2=C(N=C(S2)Cl)C)C 1 4.14 1 2 -5.6787551718343 850256 CC1=CC(=CC=C1)OC(=O)C2=C(N=C(S2)Cl)C 1 3.653 1 2 -4.4010003975298 850255 CC1=CC(=CC(=C1)OC2=C(C(=O)N(N=C2)C(C)(C)C)Cl)C(C)C 1 4.145 2 2 -0.510664509253349 850251 CCOC1=CC(=NC(=N1)S(=O)(=O)C)OCC 1 1.841 2 4 0 -5.48699588489366 850250 CC1=C(SC(=N1)Cl)C(=O)NC2=CC=C(C=C2)C(F)(F)F 1 3.462 2 1 -0.839642856152188 850247 C1=CC=C(C=C1)C2=C(SC(=N2)Cl)C(=O)NC3=CC=C(C=C3)F 1 4.39 2 1 1.30228015867491 850246 C1=CC=C(C=C1)C2=C(SC(=N2)Cl)C(=O)NC3=CC=CC=C3 1 4.184 2 1 0.140717532788067 850245 CC1=C(SC(=N1)Cl)C(=O)NC2=CC=C(C=C2)Cl 1 3.184 2 1 -3.42954005441614 850244 CC1=C(SC(=N1)Cl)C(=O)NC2=CC=C(C=C2)F 1 2.725 2 1 -3.72353271801923 850243 CC1=C(SC(=N1)Cl)C(=O)NC2=CC=CC=C2 1 2.52 2 1 -4.59206388185783 850238 CCOC1=NC(=NC(=C1)N2C(=C(C(=N2)C)C#N)N)SC 1 2.29 6 1 0 -7.03342843483547 850236 CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)C(F)(F)F 1 4.043 1 1 -3.464586168678 850205 CCOC(=O)C1=CC2=CC3=CC=CC=C3C=C2OC1=O 1 2.972 0 4 -7.18439659045537 850192 COC1=C2C(=C(C=C1)OC)N3CCSC3=N2 1 2.42 2 2 -1.95775620802171 850178 C1CSC2=NC(=O)C3=C(N21)C=CC(=C3)Br 1 2.803 2 1 -4.22457208655736 850176 CCC1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)OC 1 2.706 4 1 -6.13895090500617 850172 C1=CC=C(C=C1)CNC(=O)OC2=CC(=CC=C2)Cl 1 3.841 1 2 -4.01167510544264 850148 CCNC1=CC=CC=C(C1=O)C2=NC3=CC=CC=C3C=C2 1 2.956 2 1 -1.5512489491878 850146 CNC1=CC=CC=C(C1=O)C2=NC3=CC4=C(C=C3C=C2)OCO4 1 2.376 2 3 -2.90966452094967 850137 CC1=NN(C=C1)C2=NC(=CC=C2)N3C=CC(=N3)C 1 2.775 5 0 -0.59957557122106 850134 CCOC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=N2)F 1 2.244 2 3 -4.79062564992728 850129 CCOC1=C(C=CC(=C1)S(=O)(=O)NC2=NC=C(C=C2)Cl)F 1 2.908 2 3 -3.44681349881492 850128 CCOC1=C(C=CC(=C1)S(=O)(=O)NC2CCCCCC2)F 1 3.593 1 3 -9.43318560335883 850127 CCOC1=C(C=C(C=C1)C)S(=O)(=O)NC2CCCCCC2 1 3.874 1 3 -9.03101006533572 850126 CCOC1=C(C=C(C=C1)C)S(=O)(=O)NC2CCCCC2 1 3.417 1 3 -9.03101006533572 850125 CCOC1=C(C=CC(=C1)S(=O)(=O)NC2CCCCC2)F 1 3.137 1 3 -9.43318560335883 850124 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)OCC 1 2.182 1 3 -12.3585297643767 850123 CN(C)S(=O)(=O)C1=CC(=C(C=C1)F)OC 1 1.136 1 3 0 -6.84678393452561 850121 CCOC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2C(=CC(=N2)C)C 1 3.792 2 3 -8.1974626559919 850120 CCOC1=C(C=C(C=C1)C(C)C)S(=O)(=O)N2C(=CC(=N2)C)C 1 3.586 2 3 -10.0236690758589 850119 CCOC1=C(C=C(C=C1)C)S(=O)(=O)N2C(=CC(=N2)C)C 1 2.878 2 3 -10.488032625112 850118 CC1=CN(C=N1)S(=O)(=O)C2=C(C=CC(=C2)C(C)C)OC 1 2.534 2 3 -6.11217521449716 850116 CCOC1=C(C=C(C=C1)C)S(=O)(=O)N2C=NC3=CC=CC=C32 1 3.521 2 3 -7.01414388129881 850112 CCOC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=CC(=C2)C)C)Cl 1 4.286 1 3 -5.66124646037771 850111 CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)OCC 1 4.256 1 3 -4.4058540865188 850095 CC1=CN(C=N1)S(=O)(=O)C2=CC(=C(C=C2)Br)OC 1 2.089 2 3 -6.75594038674163 850094 CC1=CC(=C(C=C1Cl)S(=O)(=O)N2C=C(N=C2)C)OC 1 2.491 2 3 -4.53281729706021 850092 CCC1=NC=CN1S(=O)(=O)C2=C(C=C(C(=C2)OC)Cl)OC 1 2.633 2 4 -8.25301847906588 850091 CC1=CC(=C(C=C1Cl)S(=O)(=O)N2C=CN=C2C)OC 1 2.469 2 3 -2.61729647932552 850090 CC1=NC=CN1S(=O)(=O)C2=C(C=CC(=C2)C(C)C)OC 1 2.513 2 3 -4.19665439676247 850089 CC1=C(C=C(C=C1)S(=O)(=O)N2CCN=C2C3=CC=CC=C3)C 1 3.446 2 2 -6.35102494395292 850086 CCOC1=C(C=CC(=C1)S(=O)(=O)NC2=NC=C(C=C2)Cl)Cl 1 3.367 2 3 -5.20797218987499 850076 CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCN=C2C3=CC=CC=C3 1 4.111 2 2 -1.79215362369163 850074 CCOC1=C(C=C(C=C1)C(C)C)S(=O)(=O)N2CCOCC2 1 2.161 1 4 -13.7501259468248 850073 CCOC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CCOCC2 1 2.367 1 4 -11.9239195269579 850071 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Br)OCC 1 2.725 1 3 -12.4055630578835 850064 CC1=CC(=C(C=C1Cl)S(=O)(=O)NCC2=CC=CO2)OC 1 2.64 1 4 -4.49976568765094 850062 CC1=CC(=C(C=C1OC)S(=O)(=O)NC2CCCCC2)C 1 3.555 1 3 -6.28352177305911 850060 CCNS(=O)(=O)C1=CC(=C(C=C1)Br)OC 1 1.821 1 3 0 -6.75822299657974 850059 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Br)OC 1 2.376 1 3 -11.6994617385712 850056 CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CCCC2 1 2.891 1 3 -9.82327780621169 850055 CCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)NCC2=CC=CC=N2 1 3.401 2 3 -6.87670272434578 850051 CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)Cl)C)OCC 1 3.127 1 3 -6.40600112557384 850049 CCOC1=C(C(=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2)C)C 1 2.693 2 3 -5.8642179861514 850046 CC1=CC(=C(C=C1Cl)S(=O)(=O)N2CCCC2)OC 1 2.542 1 3 -8.97294364926876 850045 CC(C)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OC 1 2.585 1 3 -13.0592386415391 850044 CCOC1=C(C=C(C(=C1)C)S(=O)(=O)N2CCCC2)C 1 2.712 1 3 -8.62141771386902 850043 CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl 1 2.404 1 3 -14.9275015990498 850042 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCC2 1 2.404 1 3 -10.6964442412247 850041 CCOC1=CC(=C(C=C1C)C)S(=O)(=O)NCC2=CC=CC=N2 1 2.693 2 3 -5.67906036831451 850040 CC(C)C1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CC=CC=N2 1 2.566 2 3 -5.88531866287465 850039 COC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O 1 2.136 1 5 -5.34315698543685 850037 COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCC(CC2)C(=O)N 1 0.61 2 4 0 -12.5852132921727 850036 CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)NCC2=CN=CC=C2 1 2.17 2 3 -5.43984713615 850035 COC1=C(C=C(C=C1)F)S(=O)(=O)NC2CCCCCC2 1 3.244 1 3 -8.71718980251346 850032 CC1=C(C=CC(=C1C)S(=O)(=O)NC2=CC=NC=C2)OC 1 2.123 2 3 -0.416458751915552 850027 CC1=C(C=CC(=C1C)S(=O)(=O)NC2=CC=C(C=C2)F)OC 1 3.479 1 3 0.712708619889952 850025 CC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=C(C=C2)F 1 2.992 1 3 -1.27522345542908 850023 CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1C)Cl)C)OC 1 3.265 1 3 -2.69985047820086 850011 COC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC=NC=C2 1 1.356 2 3 0 -2.78744711457985 850004 COC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=NC=NN2 1 1.351 4 3 0 -6.72149204530558 850003 CC1=CC(=C(C=C1OC)S(=O)(=O)N2CCCC2)C 1 2.363 1 3 -8.69274475510113 850002 CC1=CC(=C(C=C1)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C)OC 1 1.95 2 3 0 -12.3184786500773 850001 CC1(CC(CC(N1)(C)C)NS(=O)(=O)C2=CC=C(C=C2)F)C 1 1.686 2 2 0 -10.8655623543116 849996 COC1=C(C=C(C=C1)F)S(=O)(=O)NCC2=CC=CC=C2 1 2.513 1 3 -4.43504980259967 849995 CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)F)OC 1 1.833 1 3 0 -8.20074402587341 849991 COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCCCC2 1 2.053 1 3 -11.7541899174722 849980 CC1=NN(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)OC)Cl)OC 1 2.545 2 4 -9.56176084894538 849965 CC1=CC=C(C=C1)C(=O)COC(=O)CCC2=CC=C(C=C2)OC 1 3.902 0 4 -10.1374221020068 849962 COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CCC(CC3)C(=O)N 1 1.313 2 4 0 -11.010460265802 849958 CCN(C1CCCCC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C 1 3.623 1 3 -7.05615769023138 849957 CC1=CC(=C(C=C1S(=O)(=O)N2CCCC2)C)OC 1 2.363 1 3 -6.97769730422132 849946 CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)OC)Cl)Cl 1 2.957 1 3 -7.26984683630758 849941 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2 1 2.789 2 2 -2.11396136798005 849940 CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CN=CC=C2)F 1 1.865 2 2 0 -5.16684398203353 849918 COC1=NN=C(S1)C2=CC=CC=C2 1 2.212 2 1 0.675635975277417 849914 CC1=CC(=NC2=NN=C(N12)C3=CC=CC=C3Cl)C 1 3.09 4 0 -2.41703313943412 849905 C1CCN(CC1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F 1 1.497 4 2 0 -6.40188114195406 849904 C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)N3CCOCC3 1 -1.075 3 5 0 -15.9798649988311 849903 CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2Cl 1 0.507 3 3 0 -22.0511413432489 849900 CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)N3CCCCC3)C 1 2.48 3 2 -6.63761515978606 849899 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N3CCCC3 1 1.312 3 3 0 -17.5142233589003 849897 CC1=C(C(=CC=C1)C)N2CCN(CC2)S(=O)(=O)N(C)C 1 1.563 3 2 0 -14.8695433286115 849896 CN(C)S(=O)(=O)N1CCN(CC1)C2=C(C=CC(=C2)Cl)Cl 1 1.919 3 2 0 -11.4110963400284 849895 CN(C)S(=O)(=O)N1CCN(CC1)C2=CC=CC=C2Cl 1 1.255 3 2 0 -12.8491606869605 849894 CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)N(C)C)C 1 1.563 3 2 0 -12.9859753070078 849893 CC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)N(C)C)C 1 1.563 3 2 0 -11.4468520371275 849885 C1=CC=C(C=C1)C(=O)C2=CC=CC=[N+]2[O-] 1 1.668 1 2 0 -2.78053002294762 849880 CN(C1=CC2=CC=CC=C2C=C1)C(=O)C3=COC=C3 1 2.832 1 2 -5.21918248147654 849853 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)O)O 1 2.894 0 4 6.25505704763414 849850 COC1=CC=CC2=C1C(=CC(=N2)OC)OC 1 2.506 1 3 -3.00182846961569 849844 COC1=C(C2=C(C=C1)C=CC(=O)O2)CC=C 1 2.891 0 3 -3.82372884428766 849813 C1=CC=C2C(=C1)C(=O)N(C(=N2)CNCC3=CC=CO3)C4=CC=C(C=C4)F 1 3.052 3 2 -4.2481417010586 849810 C1=COC(=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NC3=CC=NC=C3 1 2.308 3 3 -5.19238165682992 849798 CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CO3 1 3.257 2 3 -10.2888390061067 849796 CC1=NC2=CC=CC=C2C(=O)N1NC3=CC(=CC=C3)Cl 1 3.298 3 1 -2.59510618685519 849794 CC1(CC(=O)C(=CNC2=C(C=CC(=C2)C(=O)OC)N)C(=O)C1)C 1 1.132 2 4 0 -14.75885817929 849788 CC1=CC(=NC(=N1)SCC(=O)C2=CC(=C(C=C2)F)C)C 1 3.626 2 1 -7.12481467638211 849787 CC1=CC(=C(C=C1)C)C2=CSC(=N2)C3=CN=CC=C3 1 3.979 2 0 6.52554853003697 849783 CC1=NC(=CS1)C2=CC(=C(C=C2)O)O 1 2.009 1 2 10.335392786465 849739 CCOC(=O)C1=CN(N=N1)CC2=C(C(=C(C(=C2C)C)C)C)C 1 4.659 3 2 -15.7255478090042 849734 CC1=CC(=CC=C1)CN2C3=C(C(=O)C4=CC=CC=C4C3=O)N=N2 1 3.78 3 2 -2.81585768769406 849733 CC1=CC=CC=C1CN2C3=C(C(=O)C4=CC=CC=C4C3=O)N=N2 1 3.78 3 2 -4.38943641932358 849728 CCOC(=O)C1=CN(N=N1)CC2=CC=C(C=C2)Br 1 2.977 3 2 -15.7923628069379 849727 CC1=CC(=C(C(=C1)C)CN2C=C(N=N2)C(=O)OC)C 1 3.338 3 2 -16.2221612978068 849726 CC1=CC=CC=C1CN2C=C(N=N2)C(=O)OC 1 2.366 3 2 -17.1695230640732 849725 CCOC(=O)C1=CN(N=N1)CC2=CC=CC(=C2)C 1 2.714 3 2 -15.3510569526299 849724 CCOC(=O)C1=CN(N=N1)CC2=CC=C(C=C2)C 1 2.714 3 2 -16.1577017524232 849723 CCOC(=O)C1=CN(N=N1)CC2=CC(=CC=C2)Cl 1 2.893 3 2 -14.1836140163522 849722 CCOC(=O)C1=CN(N=N1)CC2=CC=CC=C2 1 2.228 3 2 -16.9725166572028 849719 CC1=CC(=C(C(=C1)C)C2=NOC(=C2C(=O)OC)C(=O)OC)C 1 3.691 1 5 -7.07094793753345 849718 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=C(C=C2)C)C 1 3.556 2 3 -8.94431007809165 849673 COC1=NC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2 1 3.138 3 2 -11.7927120332578 849675 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NN=C3 1 3.41 4 1 -10.2191024577873 849676 C1=CC=C(C=C1)NC(=O)NNC(=O)CC2=CC=CC=C2Cl 1 2.478 3 2 -7.16043525576563 849678 CNC(=S)NNC(=O)CC1=CC(=C(C=C1)OC)OC 1 1.421 3 3 0 -14.4707116523944 849683 COC1=CC=CC=C1C2=NC(=NN2)SC 1 2.561 3 1 0.670060852985226 849685 C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=C(C=CC=C3F)F 1 3.489 2 1 -2.53060402756046 849706 CC1=CC2=C(N1C3=CC=C(C=C3)C(=O)N)CC(CC2=O)(C)C 1 2.703 2 2 -11.7333741833583 849697 COC1=C(C=C(C=C1)CNC(=O)/C=C/C(=O)O)OC 1 1.168 1 5 0 -10.5712416446742 849693 CCOC(=O)N1CCN(CC1)C(=S)NC(C)(C)C 1 2.333 3 2 -14.5367938440621 849687 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C 1 3.805 3 1 -6.6637828804512 849656 C1CN(C2=CC=CC=C2NC1=S)C(=O)NC3=CC=CC=C3 1 3.154 3 1 -8.10694882639259 849634 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.251 3 2 -6.94365728698709 849622 CC(=O)C1=CC=C(C=C1)NC(=O)C2CCCC2 1 2.36 1 2 -2.81385905540654 849618 CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C 1 1.699 2 3 0 -2.97762944471976 849605 CC1=CC=CC(=C1)C(=O)NC2=CC=CC3=C2N=CC=C3 1 3.287 2 1 -6.58927850358524 849594 CCN(CC)C1=CC=C(C=C1)NC(=O)C2CCCC2 1 3.48 2 1 -4.05384876448112 849591 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC3=C2N=CC=C3 1 2.751 2 4 -10.2361371762076 849590 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN=CC=C3 1 2.422 3 2 -6.73994937929056 849577 COC(=O)C1=CC2=C(C=C3C=CC=CN3C2=C1C(=O)OC)C(=O)OC 1 2.428 1 6 0 -8.02913472837401 849566 C1=CC=C(C=C1)CC2=NOC(=C2)C3=CC=CC=C3 1 4.075 1 1 0.686894795258007 849565 CC1=CN2C(=CC(=C3C2=C(C(=C3)C(=O)OC)C(=O)OC)C)C=C1 1 3.545 1 4 -4.43017287436824 849564 CC1=C2C=CC=CN2C3=C(C(=CC3=C1C)C(=O)OC)C(=O)OC 1 3.545 1 4 -5.1048914886985 849563 CC1=C2C(=C(C(=C2N3C=CC=CC3=C1)C(=O)OC)C(=O)OC)C 1 3.545 1 4 -5.54258193809376 849531 COC1=C(C=C2C(=C1)C(=O)CCS2)OC 1 2.013 0 3 -4.38314380819683 849527 COC1=CC2=C(C=C1)C(=O)CCS2 1 2.029 0 2 -1.7620275655874 849509 COC1=CC2=C(C=C1)C(=O)CCN2S(=O)(=O)C3=CC=CC=C3 1 2.181 1 4 -11.9048665657623 849499 C1CS(=O)C2=CC=CC=C2C1=NO 1 1.001 1 2 0 -0.833790092123549 849495 CC1=CC=C(C=C1)OCC2=NN=C(N2N)SC 1 2.032 4 1 -5.56446690775868 849454 C1CC(=O)C(=C2SCCS2)C(=O)C1 1 1.764 0 2 0 -4.83533029113585 849451 C1CSC(=C2CC/C(=C\C3=CC=C(C=C3)F)/C2=O)SC1 1 4.488 0 1 -2.0146459748427 849439 CC1=CC=CC(=C1)/C=C/2\CCC(=C3SCCCS3)C2=O 1 4.769 0 1 -1.54418604231321 849430 CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CSN=N2 1 1.034 4 3 0 -15.0094154552996 849417 CCOC(=O)C1=CN=C(N=C1NC2=CC=CC3=CC=CC=C32)SC 1 3.678 3 2 -2.50218718337427 849416 C[C@@H](C1=CC=CC=C1)NCC2=CNC3=CC=CC=C32 1 3.622 2 0 3.15508648239852 849414 COC1=CC=CC(=C1)CNC2=NC(=NC=C2CO)SC 1 1.952 3 2 0 -1.58327302681947 849412 COC1=CC=CC=C1CNC2=NC(=NC=C2CO)SC 1 1.952 3 2 0 -3.30516222398971 849400 C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CSN=N3 1 3.888 2 1 -1.97650259370831 849399 C1=CC=C(C=C1)N2C(=C(N=N2)C3=CC=C(C=C3)Cl)N 1 3.578 4 0 2.69649230912655 849397 CC1=CC=C(C=C1)N2C(=C(NC(=O)C2=O)Cl)Cl 1 2.249 2 2 -2.25436706010259 849396 CC1=CC=C(C=C1)N2C(=C(N=C(C2=O)Cl)Cl)Cl 1 3.508 2 1 -0.630041548711168 849394 COC1=NC(=CN(C1=O)C2=CC=C(C=C2)Cl)Cl 1 2.319 2 2 -2.4833658300969 849392 CC1=CC=C(C=C1)N2C=C(N=C(C2=O)OC)Cl 1 2.141 2 2 -3.48923551916524 849381 C1=CC=C(C(=C1)CCN2C(=O)C3=CC=CC=C3C2=O)C#N 1 2.646 2 2 -4.48725927945321 849380 C1=CC=C(C=C1)C2=C(N(N=N2)C3=CC=CC=C3)Cl 1 3.995 3 0 2.09357941787641 849379 C1=CC=C(C(=C1)C2=CSN=N2)Br 1 3.07 2 0 -2.32013729068832 849368 C1=CC=C(C=C1)N2C(=C(N=N2)CO)N 1 0.577 4 1 0 -1.71807427607509 849362 CC(C)(C)C1=CC(=O)N(N1)C2=CC=CC=C2 1 2.129 2 1 0.441725153200298 849358 C1CCCN(CC1)NC(=O)C2=CC=CC=C2F 1 2.331 2 1 -7.21519118673474 849343 CCCC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)O 1 3.492 2 2 -2.02585047806062 849342 CCCC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC 1 3.718 2 2 -3.72962992391128 849299 C1CCC(CC1)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 5.128 0 3 -6.24241236613396 849293 CC1=CC(=C(C=C1)NC(=O)C2CCCCC2)O 1 3.321 1 2 3.79171055214707 849291 C1=CC=C(C(=C1)C(=O)OC2=CC=CC3=C2C=CC=C3O)Cl 1 4.592 0 3 1.00489912826387 849282 CC1=CC=CC=C1C(=O)OC2=CC=CC3=C2C=CC=C3O 1 4.414 0 3 -1.04796246223618 849264 CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)SC3=CC=C(C=C3)O 1 5.624 0 3 -1.37699396948936 849257 CC1=CC=CC(=C1)C(=O)OC2=CC=CC3=C2C=CC=C3O 1 4.414 0 3 -1.67363064592759 849229 CCOC1=CC=CC=C1NC(=O)C2CCCC2 1 2.953 1 2 -2.78621717760987 849228 C1CCC(C1)C(=O)NC2=CC=C(C=C2)Cl 1 3.285 1 1 2.72282216597695 849224 CC1=CC=CC=C1S(=O)(=O)NC2=CN=CC=C2 1 1.653 2 2 0 -4.74084047347267 849220 COC1=CC=CC(=C1OC)C(=O)NC2=CC=NC=C2 1 1.431 2 3 0 -6.97916798630969 849210 COC1=CC=CC(=C1OC)C(=O)NC2=CN=CC=C2 1 1.431 2 3 0 -7.25601600764001 849199 CC(C)CC(=O)NC1=CC(=C(C=C1)F)Cl 1 3.195 1 1 -5.77102174380192 849151 CCC1=NN=C(S1)NC(=O)C2CCC2 1 1.565 3 1 0 -7.90300183522645 849145 CC1=NC(=NC=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 2.968 3 1 -4.7683077081035 849113 CC1=CC(=C(C=C1)O)NC(=O)C2CCCCC2 1 3.321 1 2 4.33097689476501 849102 CCCC(=O)NCC1=CC=NC=C1 1 0.929 2 1 0 -14.8250423537603 849093 C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)Br)Cl 1 4.062 1 1 -2.41344991213766 849083 CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)OCC 1 3.031 2 2 -9.50367627516294 849066 CCCC(=O)NC1=NN=C(S1)SCC 1 1.979 3 1 0 -19.5209044352105 849065 C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)F)Cl 1 3.946 1 1 2.44481785267237 849064 CC(C)C1=CC=CC=C1NS(=O)(=O)C 1 1.935 1 2 0 -5.2373962100153 849063 C1CCC(CC1)C(=O)NC2=CC(=CC=C2)F 1 3.282 1 1 2.3373606268525 848995 CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3F)OC(C)C)C 1 3.657 4 1 -2.10260577379088 848994 CCOC1=NN=C(C2=C(N(N=C21)C3=CC(=CC=C3)Cl)C)C 1 3.739 4 1 2.63434081292057 848993 CC1=C2C(=NN=C(C2=NN1C3=CC(=CC=C3)Cl)N4CCOCC4)C 1 2.636 5 1 2.9516329842692 848992 CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)N4CCOCC4)C 1 1.972 5 1 0 -1.60254414956992 848991 CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)Cl)C)C 1 3.409 4 1 0.566186821274332 848990 CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3F)Cl)C 1 3.282 4 0 0.571820612946779 848987 CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)Cl)C)C 1 3.563 4 0 1.55707958779269 848986 CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)Cl)C 1 3.077 4 0 1.07888367153886 848982 CCOC(=O)C1=NN(C(=C1C(=O)C)C)C2=CC=C(C=C2)F 1 2.78 2 3 -5.40583036564457 848970 CCNC(=S)NC1=NC=CC(=C1)C 1 2.263 3 0 -5.56519826741764 848960 C1CCN(C1)CC(=O)NC2=NN=C(S2)C3=CC=CS3 1 1.769 4 1 0 -11.350143634398 848959 CN1CCN(CC1)CC(=O)NC2=NN=C(S2)C3=CC=CS3 1 1.266 5 1 0 -9.71023705820127 848953 CC(C)SC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1N 1 3.861 3 1 -10.0629969412738 848952 CSC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1N 1 3.135 3 1 -8.71587257125188 848950 CCOC(=O)CSC1=NC2=C(C(=C(S2)C)C)C(=O)N1N 1 2.012 3 3 -22.3294915347391 848948 CCN1C(=NN=C1SC(C)C)C2=C(SC(=C2)C3=CC=CC=C3)N 1 4.333 4 0 -1.45244843813854 848945 C1=CC=C2C(=C1)N=NN2CC3=NNC(=S)N3C4=CC=C(C=C4)Cl 1 4.005 6 0 -8.8404891057338 848944 C1=CC=C2C(=C1)N=NN2CC3=NNC(=S)N3C4=CC=C(C=C4)F 1 3.546 6 0 -9.95061077085537 848943 COC1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4N=N3 1 3.324 6 1 0 -11.0754540054648 848938 CSC1=NC2=C(C=NN2)C(=O)N1C3=CC=CC=C3 1 2.381 4 1 -10.6965886513934 848937 C1CCC(CC1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2 1 2.94 6 1 0 -18.2463275598621 848934 C1=CC=C(C=C1)CC(=O)NNC(=S)NC2=CC=C(C=C2)Cl 1 3.973 3 1 -6.51792852969242 848930 COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CS2 1 3.211 3 2 -8.68397814399352 848929 C1=CSC(=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)Cl 1 3.892 3 1 -6.44901324426256 848926 C1=CC=C(C=C1)N2C(=O)C3=CNNC3=NC2=S 1 1.017 4 1 0 -4.95267087668074 848918 CC1=NN2C(=NN=C2SC1)C3=CC=CS3 1 1.999 4 0 0 -5.91799075212081 848905 C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CS2 1 3.227 3 1 -8.52506029974751 848904 C1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4N=N3 1 3.341 6 0 -11.0922039884753 848901 CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=O)N3)C4=CC=CC=C4)C 1 3.317 3 2 -6.48250628467036 848899 CCN(CC)C1=C2CCCC2=C(C3=NC4=CC=CC=C4N13)C#N 1 4.67 4 0 -9.82589421262629 848896 CC1=CC2=NC(=C(N2C=C1)C3=NNC(=S)N3C)C 1 2.039 5 0 -5.31490393014016 848895 CC1=CC2=NC(=C(N2C=C1)C3=NNC(=S)N3CC4=CC=CC=C4)C 1 3.623 5 0 -3.84777342267484 848894 CC1=CC2=NC(=C(N2C=C1)C3=NNC(=S)N3CC=C)C 1 2.656 5 0 -9.92613138392279 848893 C1=CC=C(C(=C1)C=NN2C(=NNC2=S)C3=CC=NC=C3)Cl 1 3.261 5 0 -1.68810095941941 848889 CN1C(=NN=C1SCC2=NNC(=S)O2)C3=CC=CC=C3 1 2.973 5 1 -9.38834065281114 848888 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(N=N3)N=CC4=CN=CC=C4 1 2.677 7 1 0 -5.30444491176379 848887 COC1=CC=CC(=C1)C=NN2C(=O)C3=C(N=N2)N(N=C3)C4=CC=CC=C4 1 3.812 6 2 0 -5.22482821411601 848885 CN1C(=NNC1=S)C2=C(N(N=C2)C3=CC=CC=C3)N 1 1.706 6 0 0 -6.30847626129776 848866 C1CC2=CC=CC=C2N(C1)C(=S)C3=CC=CC=C3 1 4.87 1 0 -5.83662557254068 848854 CCCN1C(=CC(=NC1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.271 2 1 0.183514260448366 848846 CC1(C2=CC=CC=C2N(C1=S)CC3=CC=CC=C3)C 1 5.007 1 0 2.04145082782276 848834 CN1C2=CC=CC=C2N=C(C1=O)C3=CC=CC=C3 1 2.713 2 1 -2.03392943983056 848831 CC1=CC2=C(C=C1C)N(C(=O)C(=N2)C)C 1 2.012 2 1 -4.23521500079748 848830 C=CCN1C(=CC(=NC1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.016 2 1 -3.65557485633374 848829 CC1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=CC=C2 1 3.056 1 2 -6.24686351131746 848807 COC1=CC=C(C=C1)C=NNC(=O)CCC2=NC3=CC=CC=C3N2 1 2.658 4 2 -9.43072040772413 848802 CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C3=CC=CC=C3)OC(=O)C 1 3.518 0 5 -3.93622586425281 848801 CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC4=CC=CC=C4)C 1 5.07 0 3 -5.38372624062539 848793 CCC(=O)C1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C)OC(=O)CC 1 3.673 0 5 -8.31794173139346 848792 CCC(=O)C1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C)OC(=O)C 1 3.006 0 5 -5.98234046239138 848791 CCC(=O)C1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C)OCC 1 3.571 0 4 -7.16497282851897 848790 CCC(=O)C1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C)OC 1 3.222 0 4 -5.677116842083 848781 CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C)Cl 1 3.424 0 3 -3.27494054653587 848757 C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)CN4C=NC5=CC=CC=C54 1 2.951 6 0 -7.24493045896911 848750 C1=CC=C(C=C1)CC2=NN3C(=NN=C3S2)CN4C=NC5=CC=CC=C54 1 2.986 6 0 -9.48688848212391 848741 C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC5=CC=CC=C5O4 1 3.973 4 1 3.75870142749161 848736 CC(C)(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=CC=N4 1 4.056 5 0 2.14072221881192 848732 C1=CC=C(C(=C1)C2=NN=C3N2N=C(S3)C4=CC=NC=C4)Cl 1 2.892 5 0 -0.607957565854985 848727 CC1=NC2=CC=CC=C2N1CC(=O)NCCN3CCOCC3 1 0.698 4 2 0 -13.2997152433749 848725 CC1=NC2=CC=CC=C2N1CC(=O)NCCN3CCCC3 1 1.471 4 1 0 -10.5466405182947 848721 C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CN=CC=C4 1 2.262 5 0 -6.74297854319988 848719 C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CC=CS4 1 3.366 4 0 -8.88346612825189 848717 C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CC=CO4 1 2.808 4 1 -4.11177581101612 848683 CC(C)(C)C1=CC(=CC(=C1)C(=O)NCCN2CCCC2)C(C)(C)C 1 4.438 2 1 -5.19875682799697 848640 CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3CC3)C 1 2.374 3 1 -15.5691323055414 848636 CC1=C(SC2=C1C(=NC=N2)SC3=NC4=CC=CC=C4S3)C 1 5.026 3 0 -1.86969774981879 848635 CCC1=CC2=C(S1)N=CN=C2SC3=NC4=CC=CC=C4S3 1 5.207 3 0 -1.82293741068533 848633 CC1=CC(=NC(=N1)SC2=NC=NC3=C2C4=C(S3)CCC4)C 1 4.004 4 0 -9.92774568764505 848625 CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N)C3=CC=CC=C3)C 1 3.085 3 2 -22.7889538996982 848620 CC1=CC=CC=C1NC2=CC(=O)OC3=CC=CC=C32 1 3.475 1 2 -1.61780871658582 848614 COC1=CC=CC2=CC3=C(C4=CC=CC=C4OC3=O)N=C21 1 3.548 1 3 -2.90213678582708 848611 CC(C)(C)N(C(=O)C1=CC=CC=C1OC)NC(=O)OC2=CC=CC=C2 1 3.547 2 4 -8.20686509718716 848610 CC1=CC=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)OC2=CC=CC=C2 1 4.05 2 3 -5.23920914624993 848609 CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)Cl 1 3.581 3 2 -3.75241108379464 848608 CC1=C(C(=CC=C1)C)NC(=O)NN(C(=O)C2=CC=CC=C2)C(C)(C)C 1 3.889 3 2 -7.43069483883131 848607 CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)OC 1 2.9 3 3 -5.9873759835256 848606 CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)F 1 3.122 3 2 -4.86253274891621 848605 CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)NC2=CC=CC=C2 1 2.917 3 2 -6.02409537480306 848598 CC(C)C1=CC=C(C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C 1 2.813 4 2 -5.79235400388183 848588 C1=CC(=CC(=C1)F)C2=NN=C(S2)N 1 1.687 3 0 0 4.15774379023386 848583 COC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Cl 1 3.919 2 2 -3.59882216133722 848582 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2OC 1 3.741 2 2 -5.42082085192403 848547 COC1=CC(=CC(=C1)C2=NNN=N2)OC 1 1.266 4 2 0 -1.39705574230141 848535 CC(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3 1 3.22 1 3 -8.52524903281426 848533 CCOC(=O)C1=CC2=CC3=CC=CC=C3C=C2N1 1 3.527 1 2 0.272394173631244 848529 CC1=CC2=C(C=C1)OC(=S)N2C 1 3.551 1 1 2.32734681298135 848528 C1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O1 1 1.333 1 4 0 -4.32611665231811 848519 COC1=CC=C(C=C1)C(=O)OC(C(=O)OC)C(=O)OC 1 1.431 0 7 0 -6.80373492313637 848507 CC1=CC2=C(C=C1)NC3=C(C=CC=N3)C(=O)N2 1 2.209 3 1 -7.17180105851275 848498 C1=CC=C2C(=C1)N=C(O2)NS(=O)(=O)C3=CC=C(C=C3)N 1 1.638 3 3 0 -0.232260637717442 848491 CC1=CC=C(C=C1)N2C(=O)C3=C(NC2=O)N=CC=C3 1 2.221 3 2 -4.27925312987577 848482 COC1=CC2=C(C=C1)N=C(S2)NC3=NCCN3 1 1.634 4 1 0 -3.58643333995509 848481 CC1=CN2C3=C(C=CC=N3)C(=O)N=C2S1 1 1.36 3 1 0 -5.2195690493877 848476 CC1=CC(=C(C=C1)C)NC2=NC3=CC=CC=C3N2 1 3.772 3 0 3.34860005960454 848474 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(N2)C=C(C(=C3)C)C 1 3.833 3 2 0.988662616751083 848469 COC1=CC=C(C=C1)C2=CN3C4=C(CCCC4)SC3=N2 1 3.622 2 1 2.86868235405107 848463 CC(C)NC(=O)CN1C=CC2=C1C=C(C=C2)C(=O)OC 1 1.97 2 3 0 -19.0752011864281 848462 CCN(CC)C(=O)CSC1=NC(=O)C(=C(N1)N)C2=CC=CC=C2 1 1.676 4 2 0 -16.3720166516151 848461 CC(C)(C)NC(=O)CSC1=NC(=O)C(=C(N1)N)C2=CC=CC=C2 1 1.704 4 2 0 -17.4811713983659 848460 C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Cl)N 1 3.961 3 1 -5.5162028231003 848459 C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC3=CC=CC=C3Cl)N 1 3.961 3 1 -9.15459418527527 848458 C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)N)C3=CC=CC=C3 1 3.296 3 1 -8.44604788051496 848457 C1CCC(C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)C3=CC=CC=C3 1 2.175 4 2 -15.0458381381617 848456 CC(C)NC(=O)CSC1=NC(=O)C(=C(N1)N)C2=CC=CC=C2 1 1.499 4 2 0 -19.0424754093329 848453 C1=CC=C(C=C1)CNC(=O)CN2C=CC3=C2C=C(C=C3)C#N 1 2.851 3 1 -17.4713182203026 848452 COC(=O)C1=CC2=C(C=C1)C=CN2CC(=O)NC3CCCCC3 1 3.102 2 3 -14.1632135294644 848446 CCN(CC)C(=O)C1=CC=C(C=C1)N(CC=C)S(=O)(=O)C 1 1.675 2 3 0 -20.1029459867245 848445 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)NC2CC2 1 0.966 2 4 0 -12.7555934340077 848436 C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCCC3)NC(=O)C4CC4 1 2.206 3 2 -7.33944985740457 848434 CNC(=O)CSCC1=C(C=CC=C1Cl)F 1 2.308 1 1 -12.5403073569356 848432 CS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2Cl 1 2.19 2 3 -9.52024984086753 848427 C1CCN(C1)C(=O)CSCC2=CC=C(C=C2)Br 1 2.853 1 1 -9.78661151804709 848426 C1COCCN1C(=O)CSCC2=CC=C(C=C2)Br 1 2.08 1 2 -11.7093764819908 848425 CC(C)NC(=O)C1=CC=C(C=C1)N(CC=C)S(=O)(=O)C 1 1.498 2 3 0 -24.1469653319556 848422 CC1=NN=C(N1C2CCCCC2)SCC(=O)NC(C)(C)C 1 2.593 4 1 -22.7880593806707 848421 CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3CCCCC3 1 3.52 4 1 -20.3229533789935 848420 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC(=N2)C 1 1.74 3 3 0 -9.09197993622742 848419 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=NC(=NO2)C3=CC=NC=C3 1 1.449 4 3 0 -0.482815888547544 848417 COC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3)OC 1 4.1 1 3 -5.08693238043424 848414 COC1=CC=C(C=C1)CSCC(=O)NC2=CC=CC=C2SC 1 3.54 1 2 -14.6647282203614 848413 CC1=CC=C(C=C1)CSCC(=O)NC2=CC=CC=C2SC 1 4.043 1 1 -14.2517620112172 848412 CC1=CC=CC=C1C(=O)NC2=CC=CC=C2SC3=CC=CC=C3 1 5.219 1 1 -7.71033480804639 848410 CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC3=CC=CS3 1 3.033 4 1 -16.0975148009112 848408 CC1=CC=C(C=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C 1 2.397 2 3 -12.4204234096649 848407 CC1=CC(=CC=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C 1 2.397 2 3 -10.6301720828605 848406 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2 1 1.911 2 3 0 -12.8701090100865 848405 CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)NCC2=CC=CC=N2 1 0.982 3 3 0 -18.6121956592394 848403 CCC1=CC=CC=C1NC(=O)CN(C2CCCCC2)S(=O)(=O)C 1 2.807 2 3 -12.702477533476 848402 CC1=C(C(=CC=C1)C)NC(=O)CN(C2CCCCC2)S(=O)(=O)C 1 2.837 2 3 -12.8017029412329 848396 CC1=CC=C(C=C1)CNC(=O)CN(C2CCCCC2)S(=O)(=O)C 1 2.358 2 3 -14.4007815190665 848395 CS(=O)(=O)N(CC(=O)NC1CC1)C2CCCCC2 1 0.778 2 3 0 -13.8158579479709 848393 CC1(CC(CC(N1)(C)C)NC(=O)C2=C(C=CC(=C2)Cl)Cl)C 1 3.106 2 1 -9.51311601299476 848373 CC(C)C(C(C)C)NS(=O)(=O)C1=CC(=C(C=C1)OC)OC 1 3.12 1 4 -14.4709568347427 848366 CC(C)NC(=O)C1=CC=CC=C1NC(=O)CCC2=CC=CC=C2 1 3.04 2 2 -19.8159591249041 848358 C1=CC(=C(C(=C1)Cl)CSCC(=O)NCC2=CN=CC=C2)Cl 1 3.2 2 1 -16.2824176584297 848357 CCOC1=CC=C(C=C1)S(=O)(=O)NC2CC2 1 1.563 1 3 0 -8.39550385541168 848354 COC1=CC=CC=C1CC2=NC(=NO2)C3=CC=NC=C3 1 2.012 3 2 1.48144614781652 848352 C1CCCC(CC1)NS(=O)(=O)C2=CC=C(S2)Br 1 3.41 1 2 -6.37515704703158 848348 C1=CC2=C3C(=C1)C(=O)N(C3=CC=C2)CC(=O)NCC4=CN=CC=C4 1 1.391 3 2 0 -11.1461160433108 848330 CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC 1 1.955 1 5 0 -17.8757842160419 848275 CCN1CCN(CC1)C(=S)C2=CC(=C(C=C2)Cl)Cl 1 4.302 2 0 -1.47709729248674 848272 CN1CCN(CC1)C(=S)C2=CC=C(C=C2)Br 1 3.373 2 0 -8.65107186788755e-002 848268 C1CN(CCN1CCO)C(=S)C2=CC=C(C=C2)Cl 1 2.749 2 1 2.18201364124753 848267 C1CN(CCN1CCO)C(=S)C2=CC=C(C=C2)C3=CC=CC=C3 1 3.603 2 1 3.5229113526584 848259 C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(O3)Br 1 2.225 3 2 -3.47173047258747 848257 COC1=CC=CC=C1CNC(=O)C2=CC=C(O2)Br 1 2.568 1 3 -10.5874938853592 848256 C1CCC2=C(C1)C=CC=C2NC(=O)C3=CC=C(O3)Br 1 4.091 1 2 -6.44110668197876 848239 CC1=CC=C(C=C1)SCCC(=O)NC(C)C 1 2.892 1 1 -13.7902333183469 848233 COC1=C(C(=C(C=C1)S(=O)(=O)N2CCCC2)Cl)Cl 1 2.72 1 3 -10.2146255680842 848227 CN(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.414 2 4 0 -7.182779012 848221 C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(S2)Br 1 2.679 1 2 -3.18876902600418 848219 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(S2)Br 1 3 1 2 -4.66245447367338 848218 CC1=CC=C(C=C1)SCCC(=O)NC 1 2.166 1 1 -5.94582631141277 848217 CC(C)(C)NC(=O)CSCC1=C(C=CC=C1Cl)Cl 1 3.698 1 1 -15.3764642216525 848216 CN(C1=CC=C(C=C1)C(=O)N2CCCCC2)S(=O)(=O)C 1 1.278 2 3 0 -10.7729273954088 848215 COC(=O)CN(C1=CC(=CC=C1)F)S(=O)(=O)C 1 0.859 1 4 0 -10.3174261495335 848197 CC1=CC(=CC(=C1Br)C)OCC(=O)NC(C)C 1 3.32 1 2 -11.3136121209209 848195 CC1=C(C(=CC=C1)OCC(=O)NC2CCCCCC2)C 1 4.16 1 2 -5.58701681048551 848172 CC(C)(C)CC(=O)NC1=CC=C(C=C1)C(=O)N 1 1.533 2 2 0 -10.3359221031732 848137 CC1=CC=C(C=C1)CNC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 2.083 2 3 -16.2513878125914 848134 CN1CCN(CC1)C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 0.176 3 3 0 -8.98279668067009 848133 CC1CCN(CC1)C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 1.388 2 3 0 -14.4289426594433 848132 CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)N2CCCCC2 1 1.136 2 3 0 -11.7398330555388 848131 CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)N2CCCC2 1 0.68 2 3 0 -11.3853645413708 848130 CN(CC1=CC=CC=C1)C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 1.803 2 3 0 -12.9066671016984 848129 COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3CCCCCC3 1 3.559 2 3 -13.5853493755562 848122 COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCCCCC3 1 2.823 2 3 -12.7864278052063 848114 CCN1C(=CC(=C1C)/C=C/2\C(=O)N(C(=O)N2)C3=CC=CC=C3)C 1 2.458 3 2 -5.760086032006 848081 CCN1C(=CC(=C1C)C=C2C(=O)C3=CC=CC=C3C2=O)C 1 3.175 1 2 -2.49321591779581 848056 CC1=CC=C(C=C1)CSCC(=O)NN=CC2=C(C=CS2)C 1 4.009 2 1 -9.25375250685193 848050 C1=CC=C(C(=C1)C=NNC(=S)N)OCC2=CC(=CC=C2)Cl 1 4.031 3 1 1.23158016234491e-002 848046 CCOC1=C(C=C(C=C1)Cl)C=NNC(=O)C2=CC=CC=C2 1 3.68 2 2 -3.03078184017918 848043 C1CCCC(=NNC(=O)CSC2=NC=CC=N2)CCC1 1 2.456 4 1 -12.488365167557 848030 C1=CC=C2C(=C1)C(=CN2CCOC3=CC=C(C=C3)F)C#N 1 4.045 2 1 -2.51979906999479 848023 CC1=CC(=NC(=C1C#N)SCC2=NN=C(O2)C3=CC=CC=C3)C 1 3.483 4 1 -9.66386222945273 848020 CCC1=NNC(=S)N1N=CC2=CC=CC3=CC=CC=C32 1 3.658 4 0 -3.07539082514316 848015 CC1=CC=CC=C1OCC(=O)NN=C2CC(=O)CC(C2)(C)C 1 2.186 2 3 -9.40738069082489 848003 CC1=NNC(=S)N1N=CC2=CC=C(O2)Br 1 2.046 4 1 -7.54294561522004 848001 COC1=CC=CC(=C1)C(=O)NN=CC2=CC=C(C=C2)OC3CSC3 1 3.111 2 3 -7.59188178481694 847999 CC(=NNC(=O)CC1(OCCO1)C)C2=CC=CS2 1 0.764 2 3 0 -12.8774483036201 847997 CC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=CC=CC=C2C)C 1 4.028 1 2 -8.29032676295981 847994 CC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=CC(=C2)C 1 3.542 1 2 -4.02818899415015 847957 C1CC1NS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.895 1 2 0 -5.3943158039727 847956 C1CCC(CC1)C(=O)NC2=CC=CC=C2C(=O)N3CCCCC3 1 3.408 2 2 -5.98670651122183 847955 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC=CC=C3F 1 1.655 2 4 0 -5.69267815576388 847954 CCC1=CC=CC=C1NC(=O)COC2=CC=CC3=C2N=C(C=C3)C 1 3.861 2 2 -10.0267473622977 847946 CCOC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2F 1 2.932 2 3 -7.89181400407642 847944 CN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3Cl)F)F 1 3.184 4 1 -3.19831277077154 847943 CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.802 2 3 0 -15.6378865582051 847942 CCOC(=O)C1=CC=C(O1)CNC(=O)C2=NNC(=O)C3=CC=CC=C32 1 1.448 3 5 0 -16.8070339367663 847941 COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(O2)C=CC(=C3)Cl 1 4.542 1 3 -3.29300123189074 847940 CCN(CC)C(=O)CC1=NC2=CC=CC=C2C(=C1)C(=O)O 1 2.22 2 3 -10.1151529304451 847938 CC1=CC(=C(C=C1)N2C=NN=N2)S(=O)(=O)N3CCOCC3 1 7.e-003 5 3 0 -23.0794165204699 847932 COC(=O)C1=CC=C(C=C1)CSC2=NN=NN2CC3=CC=CC=C3 1 3.246 4 2 -22.3277809218982 847927 C1CN(CCN1C2=CC=CC=N2)C3=NC(=CS3)C4=CC=CC=C4 1 3.334 4 0 5.31714666084912 847926 CCOC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C 1 2.923 2 4 -8.42824123256823 847925 CC1=C(C(=C(C=C1)S(=O)(=O)N2CCOCC2)C)N3C=NN=N3 1 0.494 5 3 0 -23.2087279144631 847924 CCCC1=CC2=C(C=C1NC(=O)C3=CC=CC=C3C)OCO2 1 4.267 1 3 -5.9007496727462 847923 C1=CC=C(C(=C1)COC2=CC=CC=C2Cl)C(=O)O 1 3.691 0 3 -3.25174640764942 847922 CC1=CC(=NC(=N1)C)NC(=O)C2=CC=CC=C2O 1 1.371 3 2 0 -3.97140995033415 847921 C1CCN(C1)C(=O)C2=CC(=CC(=C2)N)C(=O)N3CCCC3 1 0.833 3 2 0 -6.99303247071953 847915 C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 1 2.576 3 2 -12.195337962001 847906 CCCC1=CC2=C(C=C1NC(=O)C3=CC=CC=C3Cl)OCO2 1 4.445 1 3 -3.51082628077989 847898 C1CCC(C1)NC(=O)C2=NC=NN2 1 0.606 4 1 0 -7.67110225371323 847897 CC1=CC(=CC(=C1)N2CCCC2=O)C 1 2.384 1 1 -9.18178860562255 847895 CC1=CC(=C(C=C1S(=O)(=O)N2CCOCC2)C(C)C)OC 1 2.298 1 4 -10.3238449197806 847892 C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 1 1.179 2 5 0 -10.7119379972178 847891 COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)SC)Cl 1 3.804 1 2 -1.36783847823177 847885 CC1=CC(=CC(=C1S(=O)(=O)N)C)N2CCCC2=O 1 1.089 2 3 0 -12.4916069476069 847884 CN(C)C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=CC=C3 1 3.84 4 0 -5.11724569027781 847875 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NNC(=O)C4=CC=CC=C43 1 1.539 3 4 0 -15.8335265819493 847874 COC1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)N3CCCC3)OC 1 3.205 2 3 -4.48100682595702 847872 C1CCN(C1)C2=CC(=CC=C2)NC(=O)C3=CC=CS3 1 3.191 2 1 -2.28355231948973 847864 CCNS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl 1 1.28 1 4 0 -9.87590801220993 847860 CCC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC=C2C 1 3.729 1 3 -3.77909001723806 847858 CN(C)C1=NC(=NC(=N1)N)CSC2=NC3=C(O2)C=CC(=C3)Cl 1 2.528 6 1 0 -0.70912913841089 847855 COC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 0.405 2 5 0 -22.1408959234289 847853 C1COCCN1C2=CC(=CC=C2)NC(=O)C3=CC=CS3 1 2.418 2 2 -4.22710695637058 847847 CCNS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)N3C=NN=N3 1 1.495 5 2 0 -14.4644158283688 847846 CCCC1=CC2=C(C=C1NC(=O)C3=CC=CC=C3F)OCO2 1 3.986 1 3 -4.70359758310536 847845 CN1C(=NNC1=S)CN(C)S(=O)(=O)C2=CC=CC=C2 1 1.07 4 2 0 -9.58722112421892 847844 C1=CC(=CC=C1C(=O)CNC2=CC=C(C=C2)Br)O 1 3.401 1 2 -1.93744443828417 847839 CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N 1 1.702 2 2 0 -6.04348614223869 847835 CC1=CC(=C(C(=C1N2N=CN=N2)C)S(=O)(=O)N3CCCCC3)C 1 2.954 5 2 0 -10.1883968102491 847833 C1COC(OC1)C2=CC(=CC=C2)NC(=O)C3=CC=CS3 1 2.321 1 3 -7.13842949022996 847830 CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OCO3 1 2.522 2 4 -16.9303078953278 847829 CCOC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C 1 2.923 2 4 -10.0674341207513 847813 CC1=CC(=NC(=C1)NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)OC)C 1 3.367 2 3 -5.01736602928998 847810 CC1=C(C(=CC=C1)C)OCC2=NNC(=S)N2N 1 2.211 4 1 -8.03835322720454 847808 CCSC1=CC=C(C=C1)NC(=O)C2=CN=CC=C2 1 2.354 2 1 -6.9799118532079 847806 C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F 1 4.938 1 1 -4.19504730393159 847803 COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3 1 3.471 3 2 -2.54883776080144 847801 C1CN(CCC1C(=O)N)S(=O)(=O)CC2=CC=CC=C2Cl 1 1.092 2 3 0 -11.7960590016101 847800 C1=CC=C(C=C1)CN2C=CN=C2SCC(=O)NC3=NC=CS3 1 2.223 4 1 -13.6801805498487 847796 CC1=C(C=CC(=C1)S(=O)(=O)NC2CCCCC2)OC 1 3.069 1 3 -6.66220695374723 847784 C1CCN(C1)C(=O)CCC2=CC=C(C=C2)N 1 1.449 2 1 0 -5.75877417186059 847777 C1=CC(=CC=C1CSC2=NSC(=N2)N)Cl 1 3.264 3 0 0.711237485062776 847775 CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(CC3)C(=O)C 1 2.501 2 2 -13.869027135072 847774 CCCC1=CC2=C(C=C1NC(=O)C3=CC=C(C=C3)C)OCO2 1 4.267 1 3 -3.26575219110906 847771 CCCC1=CC2=C(C=C1NC(=O)C3=CC=C(C=C3)C(C)(C)C)OCO2 1 5.181 1 3 -0.68761804199775 847755 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 1 3.264 1 2 -10.4441604312275 847747 COC1=C(C=C(C=C1)C(=O)OC)C2=C(C=C(C=C2OC)OC)OC 1 3.138 0 6 -7.5669963381385 847746 COC1=C(C=C(C=C1)C(=O)O)C2=C(C=C(C=C2OC)OC)OC 1 2.912 0 6 -5.74024322059258 847741 CN1C2=NC=C(C(=C2C(=O)N(C1=O)C)C(=O)OC)C(=O)OC 1 7.5e-002 3 6 0 -14.8264814107093 847735 COC1=C(C=C(C=C1)C(=O)CCC2=C(C=C(C=C2OC)OC)O)OC 1 3.417 0 6 -5.84986514279515 847732 COC1=CC(=C(C=C1)C(=O)CCC2=CC=CC=C2O)OC 1 3.45 0 4 -1.22384111581723 847731 CCOC(=O)C1=CC(=O)C2=C(C=CC(=C2O1)OC)[N+](=O)[O-] 1 1.7 1 7 0 -8.95945691453522 847727 COC1=C2C(=C(C=C1)[N+](=O)[O-])C(=O)C=CO2 1 1.266 1 5 0 -4.41133276608498 847722 COC1=C2C(=C(C=C1)[N+](=O)[O-])C(=O)C=C(O2)C(=O)OC 1 1.351 1 7 0 -8.25797622707024 847718 COC1=CC=CC2=C1OC=CC2=O 1 1.371 0 3 0 -0.696987137413954 847701 COC1=C(C(=CC(=C1)C(=O)N)Cl)OCC2=CC=CC=C2 1 3.047 1 3 -5.55864229631118 847700 CCOC1=C(C(=CC(=C1)C(=O)N)Cl)OCC2=CC=CC=C2 1 3.396 1 3 -7.0687106877945 847699 COC1=C(C(=CC(=C1)C(=O)N)Br)OCC2=CC=CC=C2 1 3.131 1 3 -4.73955089492091 847698 C1COCCN1C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)F 1 3.063 2 2 -6.53166770700434 847697 CC1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2N3CCOCC3 1 3.344 2 2 -7.24354473246959 847696 C1COCCN1C2=CC=CC=C2NC(=O)COC(=O)C3=CC=CC=C3 1 2.171 2 4 -11.6893399710196 847692 C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)C3=CN=CC=C3 1 2.079 2 3 -11.7081123145243 847689 CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CN=CC=C2 1 1.657 2 3 0 -10.6343703328932 847688 C1=CC=C(C=C1)NC(=O)COC(=O)C2=CN=CC=C2 1 1.171 2 3 0 -10.8884186977913 847686 CC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C 1 2.292 2 3 -18.0796442089477 847685 CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=CC=CC=C3 1 1.806 2 3 0 -15.7619153661062 847681 CCN1C2=C(N=C1OC3=CC=CC=C3)N(C(=O)N(C2=O)C)C 1 2.35 4 3 0 -10.4969083116995 847678 CC1=CC=C(C=C1)SCC(=O)NCC2=CC=CC=C2OC 1 3.484 1 2 -11.1111166797951 847672 CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCOCC3 1 0.962 3 2 0 -2.70211875618868 847668 CC1=C(C(=NN1)C)CCC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-] 1 1.94 5 3 0 -11.5732884954278 847662 C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)NN=CC4=CC=CS4 1 4.227 4 1 1.70971544859366 847660 C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)NN=CC4=CC=CO4 1 3.669 4 2 2.70977050405061 847658 CC1=CC(=NN1)C(=O)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)C 1 2.355 6 1 0 -8.11085013252255 847647 CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC=NC=C2 1 2.097 5 1 -3.4406195202489 847642 CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC=CC=N2 1 2.525 5 1 -1.81573099891056 847640 CC1=CC=C(O1)C=NNC(=O)CN2C3=CC=CC=C3N=N2 1 1.886 5 2 0 -13.9843128788512 847634 C1COCCN1C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3 1 1.557 1 5 0 -9.6897122478296 847629 COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2=NC=CN=C2 1 0.761 4 4 0 -12.1292388412723 847614 CC1=CC(=C(O1)C)C(=O)NN=CC2=CC=NC=C2 1 0.927 3 2 0 -6.79131908445287 847609 CC1=CC(=C(O1)C)C(=O)NN=CC2=CN=CC=C2 1 0.927 3 2 0 -6.59065248425306 847602 CC1=C(C=CO1)C(=O)NN=CC2=CC(=C(C(=C2)OC)OC)OC 1 1.883 2 5 0 -7.29510533283091 847598 CSC1=CC=C(C=C1)C=NNC(=O)C2=CC=CS2 1 3.178 2 1 -3.17558465133821 847566 CCOC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)C 1 1.912 3 3 0 -10.065354245697 847561 CC(C)C(=O)NC(=S)NC1=CC=CC=C1OC 1 3.214 2 2 -12.8129417444011 847555 C1=CC(=CN=C1)CNS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O 1 1.271 2 4 0 -4.79632061090028 847553 C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.96 2 5 0 -0.281323897651185 847552 CN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)OC 1 0.843 5 2 0 -19.6271447643494 847534 CC(=NNC(=O)C1=CC=C(C=C1)F)CC2=CC=CC=C2 1 2.894 2 1 -6.61731713829532 847525 CC1=CC=C(C=C1)C=NNC(=O)C2=CC=CO2 1 2.564 2 2 -4.73943818272788 847505 CC(C)C=NNC(=O)C1=C(C=CC(=C1)Br)O 1 2.547 2 2 0.606841986340265 847431 CC(C)CNC(=O)C1=C2CCC3=CC=CC=C3C2=NC4=CC=CC=C41 1 4.963 2 1 -4.45748307308087 847425 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCOCC4 1 3.551 2 2 -6.64736889778758 847415 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC=C2 1 2.583 2 3 -4.56496960234699 847412 CN(C)C1=CC=C(C=C1)C(=O)NNC(=O)NC2=CC=CC=C2 1 1.941 4 2 0 -8.11449144794558 847411 COC1=CC=CC(=C1)CC(=S)N2CCOCC2 1 2.373 1 2 -3.47316072365182 847366 CC1=CC(=C(C=C1)C)NCC2=NNC(=S)N2C3=CC=CC=C3 1 4.311 4 0 -4.06990933108072 847345 C1CCC(C1)(CNC(=O)CC#N)C2=CC=CC=C2 1 2.471 2 1 -21.4104778244629 847307 COC1=CC2=C(C=C1)OC3=C2NC(=O)CN=C3C4=CC=CC=C4 1 2.879 2 3 3.04201875005893 847303 CN1CCN(CC1)CCC(=O)NC2=CC=CC=C2OC 1 1.145 3 2 0 -4.96189199338168 847302 CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC=CC=C2OC 1 1.397 3 4 0 -8.92357039837496 847295 CC1=C(C2=C(O1)C=CC(=C2)OC)C(=O)NN 1 0.772 2 3 0 -3.23588430346888 847290 CC12CN3CC(C1=O)(CN(C2)C3C4=CC5=C(C=C4)OCO5)C 1 2.067 2 3 -7.87947773572685 847284 CCCN1C(=O)C(=CN(C1=O)CC2=CC(=C(C=C2)OC)[N+](=O)[O-])F 1 1.644 3 5 0 -9.58254983887125 847283 CN1C(=O)C(=CN(C1=O)CC2=CC(=C(C=C2)OC)[N+](=O)[O-])F 1 0.771 3 5 0 -8.73835594295149 847266 C1COCCN1C(=NC2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3 1 4.097 2 1 4.99785807432918e-003 847265 C1=CC=C(C(=C1)C2=NN=NN2C3=CC=C(C=C3)F)Cl 1 3.511 4 0 -3.11718044217885 847259 CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC#N 1 0.374 3 3 0 -19.7479153962855 847258 CN1C2=CC=CC=C2C(=C1CN3CCN(CC3)CCO)C#N 1 1.777 4 1 0 1.07490029358473 847246 C1=CC=C(C(=C1)C(=O)NC2=NC=CS2)N 1 0.865 3 1 0 -5.86649362888855 847245 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CO2 1 2.409 2 3 -10.3234878022064 847244 CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NCC(C)C 1 3.347 2 3 -12.0741671263873 847240 CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)C(C)C 1 2.479 2 2 -16.0213769722941 847172 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OC 1 -0.393 4 4 0 -18.869900837883 847171 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC3=CC=CC=C3 1 1.804 4 2 0 -15.1586583220769 847162 CC(C)C1=NN(C(=C1)C(=O)O)C2=CC=CC=C2 1 3.389 2 2 -2.08290071006032 847161 C1COC2=C(O1)C=CC(=C2)C3=NNC(=C3)C(=O)O 1 1.927 2 4 0 -1.3935572430815 847156 C1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)NC(=O)C4=CC=CS4 1 3.255 3 1 -2.91062858316723 847135 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C 1 2.009 4 3 0 -18.704384035136 847131 CC1=CSC(=N1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 2.261 2 2 -0.598176011322542 847129 C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=CS3 1 0.856 3 3 0 -10.5075809836209 847128 CC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3 1 1.117 3 3 0 -13.4798038660453 847127 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)NC(=O)C 1 0.873 3 3 0 -16.4036677958645 847124 COC1=CC=C(C=C1)S(=O)(=O)NC2=NN=CS2 1 0.775 3 3 0 -6.25640740427144 847112 C1CN(CCN1C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)C4=CC=CO4 1 1.102 3 4 0 -5.44076738321287 847111 CC(C)(C)NC(=O)CSC1=NC2=C(N1)C=C(C=C2)OC 1 2.403 3 2 -11.3811980355597 847091 CC1=CC(=NC(=C1C(=O)N)NC2=CC(=CC=C2)OC)C 1 2.523 3 2 -2.25181790906442 847090 CCS(=O)CCSC1=NC2=CC=CC=C2S1 1 2.848 1 1 -0.76050209227274 847077 CC(C)(C)CC1=NN=C(S1)NC(=O)CSC2=CC=CC=C2 1 3.324 3 1 -12.9437464904493 847066 COCC(=O)NC1=NN=C(S1)C2CCCCC2 1 1.547 3 2 0 -9.43747811015387 847063 CC(C)C1=NN=C(S1)NC(=O)C2CCCCC2 1 2.94 3 1 -6.21276129838009 847037 CC(C)(C)CC1=NN=C(S1)NC(=O)CC2=CC=CS2 1 2.918 3 1 -14.7009840611332 847035 C1CCC2=C(C1)N=C(S2)NC(=O)CC3=CC=CS3 1 2.99 2 1 -10.8174659899535 847030 COCC1=NN=C(S1)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3 1 2.646 3 3 -9.97377014306219 847027 CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C(C)C)OCC 1 3.143 3 3 -16.5873400102967 847009 CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C)OC 1 1.374 2 3 0 -10.9928282177129 847006 CCOC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)C)C 1 2.391 2 3 -9.83180578737014 846995 CCOC1=CC=C(C=C1)S(=O)(=O)N2C(=NC3=CC=CC=C32)C 1 3.296 2 3 -1.86510271032613 846993 CCOC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=CC=CC=C32 1 3.035 2 3 -6.28961312049144 846992 CCOC1=CC=C(C=C1)S(=O)(=O)N2C=CN=C2C 1 1.667 2 3 0 -4.44506714104196 846975 CN1CCN(CC1)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)OC 1 1.796 2 3 0 -9.60630333474973 846970 CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)O 1 3.048 1 3 0.595683960174503 846957 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC 1 2.141 1 2 -3.66198259566701 846944 CC1=CC(=CC=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C 1 2.275 2 3 -9.60464722171507 846942 CC1=CC=CC=C1N(CC(=O)O)S(=O)(=O)C 1 0.914 1 4 0 -13.6846126639644 846935 COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=C(C=C2)F 1 1.671 3 4 0 -6.71270597981819 846930 COC1=CC=C(C=C1)NC(=O)NCC2=CC=CC=N2 1 1.577 3 2 0 -7.11076722322895 846928 CCOC(=O)N1CCN(CC1)C(=O)NC2=CC=C(C=C2)Cl 1 2.025 3 3 -3.86151470467429 846926 C1CN(CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)Cl 1 3.474 2 1 -6.93919679721411 846922 CN(C)C1=CC=C(C=C1)CNC23CN4CN(C2)CN(C3)C4 1 1.233 5 0 0 -2.63160363988757 846914 CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)[N+](=O)[O-] 1 3.255 3 2 -3.66474532954505 846884 CCC1=CC=CC=C1N(CC(=O)O)S(=O)(=O)C 1 1.37 1 4 0 -13.2459660400772 846883 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3 1 2.316 1 4 -9.11041718880958 846869 CC1=CC=C(C=C1)SCC(=O)NCCC2=CC=CC=C2 1 3.822 1 1 -8.80715403249887 846866 CC1=CC(=C(C=C1)OC)N(CC(=O)N2CCCC2)S(=O)(=O)C 1 1.143 2 4 0 -13.6066925817394 846865 COC1=C(C=C(C=C1)N(CC(=O)OC)S(=O)(=O)C)OC 1 0.621 1 6 0 -15.0746012456373 846849 CC1=C(C=CC(=C1)Cl)N(CC(=O)OC)S(=O)(=O)C 1 1.804 1 4 0 -9.45664788444892 846839 CC1=CC(=C(C=C1)C)N(CC(=O)NC)S(=O)(=O)C 1 0.979 2 3 0 -13.7910672637806 846829 CC1=CC(=C(C=C1)N(CC(=O)N2CCCC2)S(=O)(=O)C)C 1 1.646 2 3 0 -13.206944093619 846816 C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2F 1 2.21 1 4 -13.9388555250652 846815 CC1=C(C=C(C=C1)Cl)N(CC(=O)N2CCOCC2)S(=O)(=O)C 1 1.051 2 4 0 -13.9038976419663 846801 CS(=O)(=O)N(CC(=O)N1CCOCC1)C2=CC=C(C=C2)Cl 1 0.564 2 4 0 -12.8035841672088 846783 CC1=CC=C(C=C1)SCC(=O)NC(C)(C)C 1 2.849 1 1 -10.298222829742 846778 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N)C2=C(C=CC(=C2)C)OC 1 2.333 2 4 -9.76855592175364 846773 CC1=C(C=CC=C1Cl)N(CC(=O)O)S(=O)(=O)C 1 1.579 1 4 0 -10.5880416008141 846761 CC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C 1 0.914 1 4 0 -10.4301359009708 846741 CS(=O)(=O)N(CC(=O)O)C1=CC(=CC(=C1)Cl)Cl 1 1.757 1 4 0 -8.63110143007879 846735 CC1=CC(=C(C=C1)C)N(CC(=O)N(C)C)S(=O)(=O)C 1 1.185 2 3 0 -10.7722225673913 846733 CS(=O)(=O)N(CC(=O)N1CCCC1)C2=CC(=CC=C2)Cl 1 1.338 2 3 0 -10.8476936666514 846730 CC1=CC=C(C=C1)SCC(=O)NCC(C)C 1 3.109 1 1 -9.32214502581054 846700 CC1=C(C(=CC=C1)C)N(CC(=O)N2CCCC2)S(=O)(=O)C 1 1.646 2 3 0 -12.1342612171483 846687 COC1=CC=CC(=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C 1 -0.116 2 5 0 -14.8400062450718 846686 C1=CC=C(C=C1)CCNC(=O)CSC2=CC=CC=C2 1 3.336 1 1 -10.0233507198632 846662 COC1=CC=CC(=C1)N(CC(=O)N2CCCC2)S(=O)(=O)C 1 0.657 2 4 0 -12.9172412811281 846651 CS(=O)(=O)N(CC(=O)N1CCCC1)C2=CC=C(C=C2)Cl 1 1.338 2 3 0 -10.8808192032652 846649 C1=CC=C(C=C1)CNC(=O)CSC2=NC=CC=N2 1 1.757 3 1 0 -13.3787339786535 846643 CC1=C(C=C(C=C1)N(CC(=O)O)S(=O)(=O)C)Cl 1 1.579 1 4 0 -11.121589616906 846637 CS(=O)(=O)N(CC(=O)N)C1=CC(=CC=C1)Br 1 0.549 2 3 0 -7.24957322260426 846634 COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F 1 3.54 1 2 -3.24337790529172 846612 CC1=CC=CC=C1N(CC(=O)OC)S(=O)(=O)C 1 1.14 1 4 0 -14.9401536700069 846601 CC(C)OC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)OC 1 5.194 2 2 -3.09835310963215 846585 CCC1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)C3=CC=CO3 1 3.186 3 3 -7.02156119020372 846581 CC1=CC=CC(=C1)C2=NNC(=S)N2C 1 2.588 3 0 1.00394829815229 846580 CC1=C(C=C(C=C1)NCC2=NNC(=S)N2C3=CC=CC=C3)Cl 1 4.489 4 0 -4.68321560165191 846576 COC1=CC=CC=C1NC(=O)CSC2=NC(=CC(=N2)N)N 1 1.319 5 2 0 -13.544667237164 846571 CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=C(C=CC(=C2)C)OC 1 2.961 1 5 -11.9166009483902 846551 CC1=CC=C(C=C1)SCC(=O)NCC2=CC=CC=C2 1 3.501 1 1 -9.39870754436462 846547 CCOC1=CC=CC=C1N(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)C 1 2.823 1 5 -14.6887961788319 846545 CC1=CC=C(O1)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=CC=C3 1 2.066 2 3 -3.05543552220037 846544 COC1=CC(=C(C=C1)OC)N(CC(=O)N2CCCC2)S(=O)(=O)C 1 0.64 2 5 0 -14.1557999181251 846518 CCN(CC)CC(=O)NCC1(CCCC1)C2=CC=CC=C2 1 3.116 2 1 -18.4889873865876 846516 C1COCCC1(CNC(=O)/C=C/C2=CC=CC=C2)C3=CC=CC=C3 1 3.231 1 2 -17.4687407469389 846512 CC(C)C1=CC=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C 1 1.094 2 4 0 -14.342123161144 846505 CNC(=O)CN(C1=CC(=CC=C1)Br)S(=O)(=O)C 1 0.755 2 3 0 -12.0820038967034 846498 COC1=CC(=C(C=C1)NC(=S)NC2=CC=CC=C2)OC 1 4.334 2 2 -8.48940207100188 846496 COC1=C(C=C(C=C1)Cl)N(CC(=O)N2CCCC2)S(=O)(=O)C 1 1.321 2 4 0 -12.3967582448967 846487 COC1=CC=C(C=C1)N(CC(=O)N2CCCC2)S(=O)(=O)C 1 0.657 2 4 0 -13.1157841029961 846479 CC1=CC(=C(C=C1)C)N(CC(=O)N2CCCC2)S(=O)(=O)C 1 1.646 2 3 0 -13.3793636091992 846475 COC(=O)CN(C1=CC=CC=C1F)S(=O)(=O)C2=CC=CC=C2 1 2.436 1 4 -15.1943965311077 846473 CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC=C2 1 3.212 1 3 -13.3632724491246 846468 COC1=CC(=C(C=C1)NC(=O)CSC2=CC=CC=C2)OC 1 2.975 1 3 -10.2006725437327 846455 CNC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CC(=O)OC)/C#N 1 1.551 3 3 0 -15.4005688587558 846451 CC1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C 1 2.275 2 3 -14.0569855510365 846448 CC1=CC=C(C=C1)NC(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C 1 2.275 2 3 -14.7122911210333 846446 CC1=CC(=CC(=C1)NC(=O)CSC2=CC=CC=C2)C 1 3.98 1 1 -6.02075823838168 846444 CC1=CC(=C(N1C2CCCC2)C)/C=C(\C#N)/C(=O)N3CCOCC3 1 2.231 3 2 -17.7657346443818 846442 CC1=CC(=C(C=C1)C)N(CC(=O)N)S(=O)(=O)C 1 0.773 2 3 0 -8.95863658968151 846439 CC1=CC(=C(N1C2CCCC2)C)C=C3C(=O)NC(=S)NC3=O 1 2.756 3 2 -8.22506256225354 846437 CC1=C(C=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C)Cl 1 1.051 2 4 0 -15.3170365737308 846435 C1=CC=C(C=C1)CCNC(=O)CSC2=NC=CC=N2 1 2.078 3 1 -12.7871804667878 846429 C1=CC=C(C=C1)CNC(=O)CSC2=CC=CC=C2 1 3.015 1 1 -10.614904231729 846428 CCC1=CC=CC=C1N(CC(=O)N2CCCC2)S(=O)(=O)C 1 1.616 2 3 0 -15.5186480329583 846423 CC1=C(C(=CC=C1)C)N(CC(=O)N2CCOCC2)S(=O)(=O)C 1 0.872 2 4 0 -14.057026181092 846416 CS(=O)(=O)N(CC(=O)NC1CCCCC1)C2=CC(=CC=C2)Cl 1 2.529 2 3 -13.2782702698806 846414 CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N)C2=CC=C(C=C2)C 1 2.196 2 4 -9.75232885449713 846413 CC(C)C(=O)NC1=CC=CC(=C1)C2=CN3C=CC=CC3=N2 1 2.767 3 1 -6.70586839093181 846406 CC1=CC(=C(C=C1)OC)N(CC(=O)N2CCOCC2)S(=O)(=O)C 1 0.37 2 5 0 -15.5294575456831 846402 CC1=C(SC2=C(N1)C=C(C=C2)C(F)(F)F)C(=O)C 1 2.817 1 1 -2.14009894827965 846401 CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC3=C(C=C2)OCO3)N 1 2.404 2 5 0 -6.41059314124123 846395 C1CCC2=C(C1)N=C(S2)C3=CC4=C(C=CC(=C4)Cl)OC3=O 1 4.295 1 2 3.3228020316877 846394 C1CCC2=C(C1)N=C(S2)C3=CC4=CC=CC=C4OC3=O 1 3.63 1 2 -0.39119286173337 846392 C1CC2=C(C3=CC=CC=C31)N=C(S2)C4=CC5=CC=CC=C5OC4=O 1 4.658 1 2 9.31770371549913 846378 CN(C)CCN1C2=CC=CC=C2C3=C1C=C4C=C(C=CC4=N3)[N+](=O)[O-] 1 4.177 4 2 1.59593945309367 846364 CC1=CC(=NC(=N1)C)NC(=O)C2=CC=C(C=C2)Br 1 2.361 3 1 -7.41186158743232 846347 C1=CC=C(C=C1)CCC(=O)NNC(=O)C2=CC=CC=N2 1 1.64 3 2 0 -12.2047817444424 846343 COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C3=CC=CC=N3)OC 1 2.263 3 3 -9.02127121219816 846339 COC1=C(C=C(C=C1)CC(=O)NNC(=O)CCC2=CC=CC=C2)OC 1 2.364 2 4 -13.9736236105709 846338 C1=CC=C(C=C1)CCC(=O)NNC(=O)CC2=CC=CC=C2 1 2.397 2 2 -10.6916670487614 846335 C1CCC(CC1)C(=O)NNC(=O)C2=NC=CN=C2 1 0.46 4 2 0 -7.56175011673915 846334 C1CCC(CC1)C(=O)NNC(=O)CCC2=CC=CC=C2 1 2.824 2 2 -9.67387874196616 846332 CC1=C(C=CO1)C(=O)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 1 2.65 2 3 -10.5091207896588 846330 CC1=C(C=CO1)C(=O)NNC(=O)CC2=CC(=C(C=C2)OC)OC 1 1.122 2 5 0 -12.1381569495927 846329 CC1=C(C=CO1)C(=O)NNC(=O)C2CCCCC2 1 1.582 2 3 0 -5.22235045410029 846326 COC1=C(C=C(C=C1)CC(=O)NNC(=O)C2=CN=CC=C2)OC 1 0.723 3 4 0 -14.0168738448095 846324 COC1=CC(=CC(=C1)C(=O)NNC(=O)CCC2=CC=CC=C2)OC 1 2.329 2 4 -13.6921935166723 846323 C1=CC=C(C=C1)CCC(=O)NNC(=O)C2=C(C=CC(=C2)Cl)O 1 2.784 2 3 -4.48310570568344 846313 C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)CC#N 1 2.017 2 2 -3.50851218000132 846308 C1=CSC(=C1)S(=O)(=O)NCC2=C(C=C(C=C2)Cl)Cl 1 3.439 1 2 -4.06870898704844 846306 CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Br 1 2.848 1 3 -15.1014327792576 846282 CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)C)C 1 0.543 5 3 0 -12.7613613808013 846277 CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)C 1 1.808 3 4 0 -22.9721101463667 846267 CC1=C(SC(=C1C(=O)OC)NC(=O)C)C(=O)NC2=CC=CC=C2 1 2.154 2 4 -15.0304136928631 846245 CCOC(=O)C1=C(N=CN1)C(=O)NC(C)C 1 0.575 3 3 0 -16.1318480735863 846203 CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NCCC3=CCCCC3 1 3.378 5 1 -10.9311570045882 846194 CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NC3=NN=C(S3)C(C)C 1 2.492 7 1 0 -7.20342805981687 846189 C1COCCN1C2=C(C=C(C=C2)Cl)N 1 1.597 2 1 0 1.99347864833123 846186 CC1=NC2=C(N1)C=C(C=C2)C3=NC4=C(N3)C=C(C=C4)N 1 2.3 5 0 4.07921048831568 846184 C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)N 1 1.373 4 0 0 5.86986222289594 846181 C1CCC(CC1)C2=NN=C(S2)NS(=O)(=O)C3=CC=C(C=C3)F 1 3.384 3 2 -4.75450916268625 846179 CC(C)CC1=NN=C(S1)NS(=O)(=O)C 1 0.85 3 2 0 -7.54228807838059 846178 CC(C)(C)C1=NN=C(S1)NS(=O)(=O)C 1 1.022 3 2 0 -6.50550418209512 846157 CC1=CC=CC=C1CNCC2=CN=CC=C2 1 2.286 2 0 0.224093762059614 846146 CCN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=C(C=C(C=C3)C#N)F 1 3.616 4 1 -6.14352694536587 846143 CN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=C(C=C(C=C3)C#N)F 1 3.267 4 1 -3.64130482706478 846131 C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)F 1 0.904 4 2 0 -10.7473513325358 846123 CC1=CC=C(O1)C=NNS(=O)(=O)C2=CC=CC=C2 1 1.927 2 3 0 -1.86336111633975 846110 CC(C)CSC1=NC(=C(C(=O)N1)CC2=CC=C(C=C2)OC)O 1 4.004 2 3 -13.0738930864543 846103 CC1=CC=C(N1C2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3 1 3.781 2 1 -4.26667147265671 846102 CC1=CC=C(N1C2=CC=C(C=C2)C(=O)C)C3=CC=CC=C3 1 4.401 1 1 -3.80939051067552 846096 C1=CC=C(C(=C1)N2N=C3C(=[N+]2[O-])C=CC4=NON=C43)Cl 1 2.562 5 2 0 1.90139280004499 846080 COC1=CC=C(C=C1)NC(=O)C2=C(OC3=CC(=O)C=CC3=C2)NO 1 1.292 2 5 0 -2.81729093474388 846055 CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O 1 2.494 2 4 -15.8534597895305 846054 CC(C)CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O 1 2.739 2 4 -14.9577213757392 846022 CCC1=C(NN(C1=O)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C 1 2.753 4 3 0 -3.11102729732556 846020 CC1=C(NN(C1=O)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C 1 2.297 4 3 0 -1.7045615949532 846004 CC1=CC=C(C=C1)C2=C(C(=NN2)NC(=O)C)C 1 2.715 3 1 -3.01740427770186 845991 C1=CC(=CC=C1NN=C(C#N)C#N)S(=O)(=O)N 1 0.51 5 2 0 -7.28386269827112 845965 C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)C(=O)O 1 2.765 5 2 0 -1.33913710147177 845957 C1=CC=C(C=C1)C2=CNC=C2C(=O)C3=CC=CC=C3 1 3.846 1 1 1.4012418318764 845952 CC1=CC=C(C=C1)S(=O)(=O)CNC(=S)C2=CC(=CC=C2)Cl 1 4.439 1 2 -3.32337729004499 845950 CC1=CC=C(C=C1)S(=O)(=O)CNC(=S)C2=CC(=CC=C2)C 1 4.261 1 2 -6.08305846360283 845939 CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CO2 1 3.481 2 3 -14.3571138489807 845918 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2=CC=C(C=C2)F 1 2.796 2 3 -6.18797488629992 845897 CC1(CC(=CC(=O)C1)NCC2=CC=C(C=C2)C(=O)O)C 1 2.062 1 3 -16.4265663589775 845891 COC(=O)/C=C/1\C(=O)N=C(S1)NC(=O)C2=CC=CC=C2 1 1.988 2 4 0 -9.42519213427995 845876 CN1C=CN=C1C(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.663 3 3 0 -4.13762634865189 845861 C1CC2=C(C1)N=C3C=C(NN3C2=O)C4=CC(=CC=C4)F 1 1.867 3 1 0 -0.565068226791304 845855 CC1=CC=C(C=C1)C(=S)NCS(=O)(=O)C2=CC=C(C=C2)C 1 4.261 1 2 -5.70139804235547 845853 CC1=CC=C(C=C1)S(=O)(=O)CNC(=S)C2=CC=C(C=C2)OC 1 3.758 1 3 -5.28804530928206 845852 CC(C)(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCCN2CCOCC2 1 2.571 3 2 -12.2888672339512 845834 CCC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O 1 3.761 0 2 -3.2194018535388 845813 CC1=CC2=C(C=C1)N=C(N2)CSC3=C(C(=CC(=N3)C)C)C#N 1 4.186 4 0 -8.61951236060525 845805 CC1=CC2=C(C=C1)N=C(N2)C3=C(C4=C(S3)N=C(C=C4)C)N 1 3.494 4 0 1.95690814610564 845804 CC1=CC2=C(C=C1)N=C(N2)C3=C(C4=C(S3)N=C(C=C4C)C)N 1 3.98 4 0 3.23547155238464 845793 CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NN=C(S3)N)(C)C 1 2.733 4 1 -13.0406682091859 845777 CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C 1 3.209 3 2 -13.158345933894 845766 CC1=NC2=C(C(=C1)C3=CC=CS3)C4=C(S2)C(=O)NC(=O)N4 1 2.52 3 2 -9.83358385594165 845696 C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC3=CN=C(C=C3)Cl 1 4.922 3 0 -12.9136792445563 845690 CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C4=CC=CC=C4C2=O 1 4.289 1 3 -5.94012978067448 845689 CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)C 1 2.724 2 3 -16.0509006828498 845675 CC1=C(N=C2C(=C1C)C3=C(S2)C(=O)C=C(N3)O)C 1 3.109 2 2 -4.04804957770569 845667 CCOC1=CC=C(C=C1)C2=NC(=NO2)C3=CN=CC=C3 1 2.327 3 2 3.77987788210775 845666 C1=CC(=CC(=C1)F)CSC2=NC(=CC(=N2)N)N 1 2.488 4 0 -4.37721402567717 845593 C1=CC(=CN=C1)CSC2=NC(=CC(=N2)N)N 1 1.132 5 0 0 -6.90095781948928 845583 CC1=C(N=CC=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.903 3 4 0 -2.86135811866515 845582 C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC(=O)O 1 3.097 2 2 -17.7453586012546 845567 CN1C2=C(N=C1OC3=CC4=CC=CC=C4C=C3)N(C(=O)N(C2=O)C)C 1 2.91 4 3 0 -4.75047835279992 845562 CC1=NN=C(S1)SCC(=O)NC2=CC=CC=C2OC 1 1.726 3 2 0 -20.0433879954128 845560 CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)CN3CCCCC3 1 3.418 2 1 2.12250264115943 845559 C1=CC=C2C(=C1)N=CN2CCOC3=CC=CC=C3Cl 1 3.848 2 1 -3.4812986258752 845556 CSC1=NC2=C(CCC2)C(=C1C#N)C3=CC=CC=C3 1 4.221 2 0 -4.23677564342487 845544 C1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C#N)N)C4=CC=CS4 1 4.582 3 0 1.74100944998609 845536 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=NC=C2 1 1.203 2 2 0 -7.16349997143917 845521 CC1=NC(=C(C=C1)C#N)SCC2=CC(=CC=C2)Br 1 4.253 2 0 -7.92018381701271 845507 C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC3=CN=CC=C3 1 4.048 3 0 -13.693705832963 845506 CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)OC 1 2.401 2 3 -17.8056479995634 845490 CCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CN=CC=C2 1 2.819 3 3 -14.9031960397277 845485 C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=NC=C2)C(=O)O 1 2.245 3 3 -10.749353636615 845479 C1=CC(=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2)C(=O)O 1 3.258 2 4 -8.28641434433942 845476 C1=CC(=CN=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O 1 2.245 3 3 -11.9774019054988 845462 COC(=O)C1=C(SCC1=O)NC2=CC=CC=C2 1 2.094 1 3 -6.60223906148813 845436 CC(C)C1=NC2=CC(=NN2C(=C1)C(F)(F)F)C(=O)O 1 2.944 3 2 -10.9404565823379 845435 C1CC1C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)O 1 2.572 3 2 -13.0472217328255 845433 CC1=NC2=CC=CC=C2C3=NC(=NN13)NC(=O)CC4=CC=CC=C4 1 2.63 5 1 -7.45479372561601 845429 C1=COC=C1C2C(=C(SC(=C2C#N)N)N)C#N 1 0.567 4 1 0 -6.56706523406179 845407 CC1=C(N=C(C(=C1)C#N)SCC(=O)N)C2=CC=C(C=C2)F 1 3.131 3 1 -5.86883235255446 845377 CCNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C 1 2.487 5 2 0 -17.2311559145436 845373 CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC=C 1 8.2e-002 5 3 0 -9.7942063797317 845354 CC1=C(N(C2=CC=CC=C12)C(=O)CNC3=CC(=C(C=C3)OC)OC)C 1 4.037 2 3 -6.79877771950369 845298 CC(C)N1C2=C(C(=O)OC3=CC=CC=C32)N=N1 1 2.579 3 2 -6.18686596456576 845287 C1=CC=C(C=C1)C2=NN(N=N2)CCC(=O)O 1 1.235 4 2 0 -3.80990946955483 845278 C1CCC(CC1)NC2=NC(=C3CCCCC3=C2C#N)C4=CC=CO4 1 5.147 3 1 -2.02053534858123 845265 C1CCC2=NC3=CC(=NN3C(=C2C1)C(F)(F)F)C(=O)O 1 3.052 3 2 -8.88908965279684 845251 CC1=CC(=C(C=C1)C)OCC2=NC(=NO2)C3=CN=CC=C3 1 2.802 3 2 1.71592546008996 845248 CC(C)NC1=NC(=NC(=N1)SCC(=O)N)NC(C)C 1 1.029 6 1 0 -13.3654676232307 845247 CN(C)C1=NC(=NC(=N1)OCC(=O)NC2=CC=C(C=C2)OC)N(C)C 1 1.196 6 3 0 -7.89125593381321 845228 CC1=CC=C(C=C1)OCC2=NC(=NO2)C3=CC=CC=N3 1 2.744 3 2 1.9371233371525 845224 CC1=CC(=CC=C1)OCC2=NC(=NO2)C3=CN=CC=C3 1 2.316 3 2 2.08280732770317 845215 CC1(CC(CC(N1)(C)C)NC(=O)CC2=CC=C(C=C2)OC)C 1 1.796 2 2 0 -13.3706809544869 845209 C1=CC=C(C=C1)CN2C(=NNC2=S)COC3=CC(=CC=C3)Cl 1 4.185 3 1 -2.11723224934803 845189 CCCN1C2=C(CCCC2)C(=O)C(=C1O)C(=O)NCC3=CC=CC=C3 1 3.517 2 3 -13.5157224854982 845177 C1CC2=CC=CC3=C2N(C1)C(=C(C3=O)C(=O)NCC4=CN=CC=C4)O 1 2.138 3 3 -9.59158138856409 845176 C1=CC=C(C=C1)N2C(=O)C=CC(=N2)OCC(=O)N 1 0.535 3 3 0 -5.79425557930503 845171 CC1=CC(=NO1)NC(=O)CSC2=NCCS2 1 1.634 3 2 0 -22.6849677857341 845164 C1CCN(CC1)C2=C(C=C(C=C2)N)C(=O)N 1 1.165 3 1 0 0.310748850133129 845149 C1CCS(=O)(=O)N(C1)C2=CC=C(C=C2)C(=O)O 1 1.037 1 4 0 -5.01063504843194 845135 CC1(CC(CC(N1)(C)C)NC(=O)C2CCCCC2)C 1 2.24 2 1 -10.2007088924628 845133 CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC=C(S2)Cl 1 1.278 3 3 0 -7.09608795912294 845132 C1=C(SC(=C1)Br)C(=O)NN2C=NN=C2 1 0.754 4 1 0 -5.11270338408028 845128 CC1=CC=C(O1)C(=O)NC2=CC(=O)N(C(=O)N2C)C 1 0.406 3 4 0 -9.92648191011123 845127 C1=CSC(=C1)CNC(=O)/C=C/C2=CC=CS2 1 2.782 1 1 -9.70425487581805 845121 C1CN(CCC1C(=O)N)C(=O)C2=CC=CC3=CC=CC=C32 1 1.626 2 2 0 -3.93436860790452 845120 CC1(CC(CC(N1)(C)C)NC(=O)C2=CC=CC3=CC=CC=C32)C 1 2.686 2 1 -9.69737133548804 845105 CCC(C)(C)NC(=O)C1=CC=C(O1)Br 1 2.456 1 2 -8.87280164696342 845104 C1CCC(C1)CCC(=O)NCC2=CC=CS2 1 3.069 1 1 -16.156348095017 845082 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)OC 1 1.471 2 5 0 -8.42317107330059 845080 CC1=C(C=CO1)C(=O)NCC2=CC=CO2 1 1.052 1 3 0 -8.57525557416823 845077 C1CCC(CC1)C(=O)NCC2=CC=CS2 1 2.823 1 1 -9.55410730098325 845070 C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=CC=C(C=C3)F 1 1.669 4 1 0 -0.332998846162397 845062 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)Br 1 1.744 4 1 0 -0.724688030451167 845055 C1CCC(C1)C(=O)NC2=CC(=C(C=C2)F)Cl 1 3.49 1 1 2.79928636684045 845054 C1CN(CCN1C2=CC=CC=C2F)C(=O)/C=C/C3=CC=CS3 1 3.5 2 1 -2.34873212666961 845043 CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NNN=N4)C 1 4.09 6 1 0 -5.68925704911124 845032 CC1=CC(=NC=C1)NC(=O)/C=C/C2=CC=CS2 1 2.91 2 1 -4.7947945131645 845012 C1CCC(C1)C(=O)NC2=CC=CC=C2OC3=CC=CC=C3 1 4.18 1 2 0.250205535756723 845009 C1CN(CCN1C(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=CO3 1 1.414 3 5 0 -8.32746495645598 845005 CC1=CC(=NO1)NC(=O)/C=C/C2=CC=C(C=C2)Br 1 2.969 2 2 -12.1562156349164 844995 C1CCC(C1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3 1 4.239 1 1 -7.54563864458374 844983 CC1=CC(=C(O1)C)C(=O)NCC2=C(OC(=C2)C(=O)O)C 1 1.186 1 5 0 -13.7745943842416 844978 CCN(CC)CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)O 1 0.187 1 3 0 2.63347314327808 844976 CC1=C(C=C(O1)CC(C)C)C(=O)NC2=CC=C(C=C2)C(=O)O 1 3.014 1 4 -2.54311101051948 844970 CC1=CC(=C(O1)C)C(=O)NCC2=CC=C(O2)C(=O)O 1 1.119 1 5 0 -12.6075129052552 844961 CC1=C(C=CO1)C(=O)NC2=C(C=CC(=C2)Cl)OC 1 2.512 1 3 -3.30279239764373 844960 C1=CSC(=C1)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.256 2 3 -11.8729470651642 844949 C1=CC(=C(C=C1Cl)Cl)/C=C/C(=O)NC2=CC=NC=C2 1 3.26 2 1 -9.03892024588293e-002 844944 CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3 1 3.242 2 3 -11.2965502888453 844918 CC1=CC(=NC(=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C 1 4.301 2 1 -8.62427876496536 844917 C1CCCC(CCC1)NC(=O)C2=C(C=CC=C2Cl)Cl 1 5.137 1 1 -6.27666756219439 844907 COC1=CC=CC=C1NC(=O)CSC2=NC3=C(N2)C=CC=N3 1 2.094 4 2 -11.8470168812268 844901 C1COCCN1CCC(=O)NC2=CC=C(C=C2)N 1 0.145 3 2 0 -5.12515067475205 844899 C1=CC(=CC(=C1)Cl)CCNC(=O)C2=CC=CS2 1 3.56 1 1 -5.25000886026264 844888 C1=CC=C(C=C1)C(NC(=O)C2=CC=CO2)NC(=O)C3=CC=CO3 1 2.468 2 4 -6.88680291707327 844885 C1CN(CCN1CNC(=O)C2=CN=CC=C2)C3=CC=CC=C3F 1 1.843 4 1 0 -3.19502803455453 844875 CC1=CC(=NO1)NC(=O)C2=C(C(=CC=C2)OC)OC 1 1.72 2 4 0 -15.4604041441026 844859 C1=CC=C(C=C1)CC(=O)NCCC2=CC(=CC=C2)Cl 1 3.642 1 1 -6.64917176827487 844858 CC(C)C1=CC=CC=C1NC(=O)CCCC(=O)O 1 2.446 1 3 -13.1855355332354 844788 CCN1C(=C(C=N1)/C=C/C(=O)NC2=C(N(N=C2C)CC)C)C 1 1.653 5 1 0 -5.66180666962291 844785 CC1=CC(=NO1)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 1.354 5 5 0 -17.7790020670615 844782 C1CCN(CC1)C(=O)C2=CC=C(O2)COC3=CC=CC=C3[N+](=O)[O-] 1 3.095 2 5 0 -10.4122273000917 844768 CC1=CC(=NN1CC(=O)NCC2=CC=CO2)C(F)F 1 1.332 3 2 0 -18.268024157701 844760 C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 2.622 3 3 -4.66697351595451 844756 CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C 1 0.638 5 5 0 -6.08685660527781 844754 C1=COC(=C1)CNC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 1.404 4 5 0 -14.4296208451547 844749 CC1=C(C(=NN1C)C(=O)N2CCCCCC2)Cl 1 2.505 3 1 -4.43430558227207 844748 CCN1C=C(C(=N1)C(=O)N2CCCC2)[N+](=O)[O-] 1 1.026 4 3 0 -9.12516895660913 844747 CN1C(=C(C=N1)Cl)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)F 1 3.368 3 1 -0.430511884475623 844741 CC1=CC(=NN1C(=O)C2=NN(C(=C2[N+](=O)[O-])C)C)C 1 1.474 5 3 0 -7.43290656473597 844740 CC1=NN(C(=C1Br)C(=O)N2CCC3=CC=CC=C32)C 1 2.867 3 1 -9.29988583777998 844739 CN1C(=C(C=N1)Br)C(=O)NC2C3CC4CC(C3)CC2C4 1 2.985 3 1 -3.73565095081145 844737 CC1=CC(=NN1C(=O)C2=C(C(=NN2C)C)[N+](=O)[O-])C 1 1.474 5 3 0 -8.66972794490251 844733 CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=CC3=C2N=CC=C3 1 3.057 5 2 0 -3.70942136169392 844732 CC1=CC(=NN1C(=O)CN2C(=CC(=N2)C(F)F)C)C 1 1.885 4 1 0 -11.5726133817326 844731 CCN1C(=C(C=N1)C(=O)NC2=NOC(=C2)C)C 1 0.897 4 2 0 -15.1088408522281 844723 CN1C=C(C=N1)C(=O)NC2C3CC4CC(C3)CC2C4 1 1.945 3 1 0 -4.65927142520082 844722 CN1C(=C(C=N1)Br)C(=O)NC2CCCCCCC2 1 3.498 3 1 -7.21794242511826 844720 C1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F 1 3.672 3 1 2.69194315455005 844718 CC1=CSC(=N1)NC(=O)C2=NN(C(=C2[N+](=O)[O-])C)C 1 1.012 5 3 0 -5.41210035165167 844714 CC1=C(C=NN1C)CN(C)C(=O)C2=CC=C(O2)Br 1 1.586 3 2 0 -4.38393828056263 844713 CCN1C=C(C(=N1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-] 1 0.842 5 5 0 -8.92094590495329 844712 CC1=C(SC(=N1)NC(=O)C2CC2)C(=O)N(C)C 1 0.693 3 2 0 -9.40800939956311 844711 CCC1=C(SC(=C1C(=O)N)NC(=O)/C=C/C(=O)O)C 1 1.07 2 4 0 -6.18478892231609 844706 CC1=CN=C(S1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C 1 0.73 5 3 0 -7.06213485451762 844700 CC1=CC=C(O1)C(=O)NC2=NC(=C(S2)C(=O)OC)C 1 1.581 2 4 0 -7.61429952730693 844685 CC1=C(C=NN1C)CN(C)C(=O)C2=NN(C=C2[N+](=O)[O-])C 1 0.595 6 3 0 -5.52540137475033 844675 CC1=C(C(=NN1C)C(=O)N2CCCC2)[N+](=O)[O-] 1 0.823 4 3 0 -4.92355606448801 844673 CN1C=C(C=N1)C(=O)N2CCC3=CC=CC=C32 1 1.545 3 1 0 -11.9381395617773 844672 CC1=NN(C(=C1Cl)C(=O)N2CCC3=CC=CC=C32)C 1 2.783 3 1 -8.89129728023258 844657 CCN1C=C(C(=N1)C)CNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 2.265 4 3 0 -11.4356097058408 844648 CCN1C2=CC=CC=C2N=C1NC(=O)C3=NN(C=C3Br)C 1 3.053 5 1 -4.47773371093173 844632 CN1C=C(C(=N1)C(=O)NC2=NC=C(C=C2)Br)[N+](=O)[O-] 1 1.724 5 3 0 -8.59274298146601 844629 C1CCN(C1)C(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 1.305 4 4 0 -10.7040201842493 844618 CC1=CC(=NO1)NC(=O)C2=NN(C(=C2[N+](=O)[O-])C)C 1 0.871 5 4 0 -12.9461703696823 844616 CN1C(=C(C=N1)Cl)C(=O)NC2C3CC4CC(C3)CC2C4 1 2.901 3 1 -3.33238688440021 844614 CC1=CC=C(O1)C(=O)NCC2=CC=C(C=C2)Cl 1 2.826 1 2 -3.73216592977337 844599 CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)F 1 2.36 1 2 -1.23401472641679 844589 CC1=CC(=NO1)NC(=O)C2=C(C=NN2C)[N+](=O)[O-] 1 0.589 5 4 0 -15.2915549018537 844580 CN1C=C(C=N1)C(=O)NC2=CC3=C(CCC3)C=C2 1 2.321 3 1 -9.31062668485686 844578 CC1=CC(=NO1)NC(=O)C2=C(C=NN2C)Br 1 1.443 4 2 0 -13.0360633232421 844575 CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)NC(=O)CCl 1 3.473 3 1 -6.09339529314362 844572 CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC=CO2 1 3.155 3 2 -4.5570566788169 844571 C1CCN(CC1)C(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CS3 1 2.466 2 3 -17.3935607837316 844569 CC1=CC(=NO1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Cl 1 3.458 2 4 -13.9888515209041 844562 CC1=C(C(=NN1C)C(=O)NC2C3CC4CC(C3)CC2C4)Cl 1 3.183 3 1 -1.69406079233677 844560 CCN1C=C(C(=N1)C(=O)N2CCOCC2)[N+](=O)[O-] 1 0.253 4 4 0 -11.0479339205528 844557 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=NC=C4 1 4.083 3 1 -4.46469615927313 844555 CCN1C=C(C(=N1)C(=O)NC2=NC=C(C=C2)Br)[N+](=O)[O-] 1 2.073 5 3 0 -10.4346990480896 844549 CC1=CC(=NO1)NC(=O)C2=C(C(=NN2C)C)Br 1 1.725 4 2 0 -12.4142061098276 844548 C1COCCN1C(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CO3 1 0.133 3 4 0 -19.5974856103896 844547 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NNN=N4 1 3.604 6 1 0 -6.68624083947061 844544 CC1=C(SC(=N1)NC(=O)/C=C/C2=CC=C(C=C2)F)C(=O)N(C)C 1 2.273 3 2 -8.4694122827339 844536 CCN1C(=C(C=N1)/C=C/C(=O)NCC2=CN(N=C2C)C)C 1 1.166 5 1 0 -6.71011749993901 844533 CC1=NN(C=C1CNC(=O)/C=C/C2=CN(N=C2)C)C 1 0.671 5 1 0 -10.5311009860788 844520 CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)/C=C/C3=CN(N=C3)C)C 1 2.88 5 1 -11.858935337097 844513 CCOC1=CC=CC(=C1)/C=C(\C#N)/C(=O)NC2CC2 1 2.167 2 2 -13.2876019127145 844509 C1CCCC(CC1)NC(=O)/C(=C/C2=C(NN=C2)C3=CC=CC=C3)/C#N 1 3.913 4 1 -12.8647001683855 844508 CCN1C(=C(C=N1)/C=C/C(=O)NCC2=C(N(N=C2)C)C)C 1 1.028 5 1 0 -6.58865557542241 844505 CCN1C(=C(C(=N1)C)NC(=O)/C=C/C2=CN(N=C2)C)C 1 1.159 5 1 0 -10.3327648489555 844501 C1CC1NC(=O)/C(=C/C2=CC=C(C=C2)Cl)/C#N 1 2.499 2 1 -10.4002709106919 844439 CC1=CC=C(O1)C(=O)NC2=NC(=C(S2)C)C 1 1.58 2 2 0 -3.50749914104361 844440 C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.432 3 3 -1.8473632377446 844446 CC1=CC=C(C=C1)CNC(=O)C2CCCC2 1 3.113 1 1 -6.35138694463804 844451 CC1=CN=C(C=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.725 2 3 -7.25997016384271 844456 C1CCC(C1)C(=O)NC2=C(C(=CC=C2)Cl)Cl 1 3.949 1 1 1.45171334057105 844493 CCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2CC2 1 2.167 2 2 -14.848529396255 844490 C1C(=O)N=C(S1)NC2=CC=CC(=C2)C(=O)O 1 1.512 2 3 0 -9.70236609718489 844489 CCN1C=C(C=N1)/C=C/C(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3)C 1 2.742 5 1 -13.3047218752719 844487 CCN1C(=C(C(=N1)C)NC(=O)/C=C/C2=C(N(N=C2)C)C)C 1 1.304 5 1 0 -6.00935779135762 844486 CC1=CC(=CC=C1)NC2=NC(=O)C(S2)(CO)CO 1 1.388 2 3 0 -0.62678025898941 844473 CC1=C(SC(=N1)NC(=O)/C=C/C2=CC=CC=C2)C(=O)N(C)C 1 2.067 3 2 -9.3532331252835 844471 CC1=C(C(=CC=C1)NC(=O)C2=CN(N=C2)C)C 1 2.237 3 1 -4.59989408786317 844462 CC1=CC=C(O1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.993 3 4 0 0.280181048470711 844431 CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)C)C 1 3.386 2 2 3.2307901369397 844405 CC1=CC=C(O1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 2.033 2 5 0 -6.38161675495874 844383 COC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=CC=CS3 1 3.278 2 2 -5.11590759680186 844359 C1CCC(C1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] 1 2.998 2 3 -5.53195229893278 844356 C1CCCC(CC1)NC(=O)/C=C/C2=CC=C(C=C2)Br 1 4.568 1 1 -6.99525572764273 844353 CCC1=CC=CC=C1NC(=O)C2=C(OC=C2)C 1 2.806 1 2 -5.04190468321685 844341 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)C 1 3.113 2 3 -2.6580409305685 844337 CC(=O)C1=CC(=CC=C1)NC(=O)CCC2CCCC2 1 3.062 1 2 -10.6964838597108 844329 C1CC2=C(C1)C=C(C=C2)OCC3=CC=C(C=C3)C(=O)NN 1 2.964 2 2 -5.86263985111959 844290 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=O)N(C(=O)N2C)C 1 2.266 3 3 -9.44709539952701 844289 CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=NN=CS2 1 2.956 3 1 -4.65786765948166 844287 CC1=C(C(=NN1C)C(=O)N2CCC3=CC=CC=C32)Br 1 2.867 3 1 -7.99261347959674 844286 CN1C=C(C(=N1)C(=O)NC2C3CC4CC(C3)CC2C4)Br 1 3.122 3 1 -2.76298578419196 844271 CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)OCC(C)C 1 3.593 2 3 -18.7606847617856 844261 C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)OCCO3 1 2.59 2 3 -10.9112342732844 844239 CCOC(=O)CC1=C(NC(=NC1=O)SC)C 1 1.167 2 3 0 -14.6531637610734 844238 CC(C)OC1=CC=C(C=C1)CCC2=NNC(=S)N2CC=C 1 3.919 3 1 -10.8016118841746 844237 CC1=C(C(=O)N=C(N1)NC(=O)C)CC2=CC=CC=C2 1 1.481 3 2 0 -12.489294022394 844228 CC(C)OC1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=CO3 1 3.79 3 2 -1.38776255297856 844227 CC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CC=C2OC)OC 1 2.321 1 4 -9.28320377304404 844225 CC1=C(C=CO1)C(=O)NN=C2C3CC4CC(C3)CC2C4 1 2.343 2 2 -1.29710540200917 844224 CC1=CC=C(O1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl 1 3.445 2 2 2.59770959656068 844215 CC(=NNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=N3 1 3.471 3 1 -9.79224464624564 844214 CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2CC2)C 1 3.164 1 3 -11.2373175160868 844198 COC1=CC=C(C=C1)C(=O)NC2=C(SC=C2)C(=O)OC 1 2.407 1 4 -8.8910489249936 844194 CC1=CC=CC=C1C(=O)NN=C/C(=C/C2=CC=CC=C2)/C 1 3.976 2 1 -8.95872541860729 844185 CN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=CC=CC=C3 1 2.233 4 2 -16.9334292821506 844176 CN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC=CC=C3 1 1.361 4 2 0 -13.7163059235476 844174 CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C 1 4.145 2 3 -3.77903408217371 844169 CC1=NN=C(S1)NC(=O)CCC2=CC=C(C=C2)OC 1 1.824 3 2 0 -13.8780210651012 844168 C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC(=O)C=C(N3)N 1 1.607 4 2 0 -17.6545776512274 844166 COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2CC2 1 1.418 1 5 0 -10.6162874447788 844159 COC1=CC=C(C=C1)CNC(=O)C2CCCC2 1 2.611 1 2 -6.76435315378218 844125 CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC2CCCCC2 1 4.558 1 1 -7.07713497647647 844110 C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3F 1 2.298 1 4 -5.9029430001075 844101 C1=CC(=CC(=C1)Cl)CCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 4.165 2 3 -6.31761503135473 844093 C1CCCN(CC1)C(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 2.218 4 4 0 -11.0584886984173 844091 CC1=CC=C(O1)/C=C/C(=O)NCC2=CC=CC=N2 1 1.694 2 2 0 -7.38457647296556 844060 C1=CC(=CC=C1COCC(C(F)F)(F)F)C(=O)NN 1 1.148 2 2 0 -7.99593752350744 844046 C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])Cl 1 2.693 2 4 -2.90532997657022 844040 CC1=CC(=NC=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.903 3 4 0 -1.86538861707359 844036 C1=CC=NC(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.417 3 4 0 -2.47808472176781 844032 CC1=CC=CC=C1NC(=O)CN2C(=CC(=N2)C(F)(F)F)C3CC3 1 3.876 3 1 -8.91119118014387 844027 CN1C(=CC=N1)CNC(=O)C2=CC=NN2C 1 0.29 5 1 0 -12.3159050029031 844001 C1CCCC(CC1)NC(=O)CCN2C=CC(=N2)[N+](=O)[O-] 1 2.535 4 3 0 -16.3957461103753 843992 CC(C)CSC1=NSC(=N1)N 1 2.207 3 0 -0.944485984947219 843989 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NN=CC3=CN=CC=C3 1 2.199 3 2 -1.00426350749677 843984 CCC1=CC=CC=C1NC(=S)NCC2=CC3=C(C=C2)OCO3 1 4.806 2 2 -9.71909721189217 843982 CCC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC=N3 1 5.008 4 0 -8.1896660541418 843963 CC1=C(C(=NN1C)C)C=NNC(=O)CCN2C=C(C=N2)[N+](=O)[O-] 1 0.405 7 3 0 -12.9759518141971 843960 COC1=CC=C(C=C1)C2=C(C=CC=N2)O 1 2.367 1 2 6.70886293212571 843956 CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=CC=C2)C(=O)N(C)C 1 2.278 4 2 -14.3520699678802 843954 CCCC1=CC(=CS1)C2=NNC(=S)N2CC3=CC=CC=C3 1 4.616 3 0 -2.35712482610298 843951 CC(C)CN1C(=NNC1=S)C2=CSC(=C2)C(C)C 1 4.23 3 0 -5.77638212097436 843946 CC1=CC=CC=C1N2C(=NNC2=S)C3=C(OC=C3)C 1 3.414 3 1 -5.18576646458084 843945 CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CC=CO3 1 3.559 3 1 -0.554102512690683 843942 CC(C)CN1C(=NNC1=S)C2=CSC3=CC=CC=C32 1 4.155 3 0 -5.41112521631484 843941 CC1=C(C=CO1)C2=NNC(=S)N2CC(C)C 1 2.543 3 1 -5.71521935308455 843940 CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=CSC(=C2)C 1 4.054 3 1 -9.41458905987251 843934 CC1=C(SC=C1C2=NNC(=S)N2CC3=CC=CC=C3)C 1 3.979 3 0 -1.5525738726848 843931 CCC1=CC(=CS1)C2=NNC(=S)N2CC3=CC=CC=C3 1 4.159 3 0 -3.64256255446203 843915 CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CSC(=C3C)C 1 4.458 3 0 -1.97704812969369 843914 CC1=CC=CC=C1N2C(=NNC2=S)C3=CSC(=C3C)C 1 4.458 3 0 -4.92523901038145 843908 CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CSC4=CC=CC=C43 1 5.026 3 0 -1.84257907931435 843897 CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CSC(=C3)C(C)C 1 5.101 3 0 -1.81789183077625 843896 CC1=CC=CC=C1NC(=S)NNC(=O)C2=C(OC=C2)C 1 3.009 3 2 -8.08745651607036 843893 CC1=C(SC=C1)C2=NNC(=S)N2CC(C)C 1 3.733 3 0 -8.16800198722107 843892 CC(C)CN1C(=NNC1=S)C2=CC=C(O2)Br 1 3.257 3 1 -6.52697681467491 843888 CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC=CO2 1 3.155 3 2 -8.00495516866921 843881 CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=CSC(=C2)C(C)C 1 5.183 3 1 -8.50298080604957 843878 CC1=NN(C(=C1Cl)C2=NNC(=S)N2C3=CC=CC=C3)C 1 3.566 5 0 -3.75053822766512 843866 CC1=CC(=CS1)C(=O)NNC(=S)NCC2=CC=CC=C2 1 2.81 3 1 -11.5457136683198 843863 CC1=CC=CC=C1N2C(=NNC2=S)C3=CSC4=CC=CC=C43 1 5.026 3 0 -4.86178873048973 843862 CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=CC=CO2 1 3.641 3 2 -7.12150984984722 843860 CC(C)C1=CC(=CS1)C2=NNC(=S)N2CC3=CC=CC=C3 1 4.622 3 0 -2.18139569607281 843857 CC1=CC(=C(C=C1)C)N2C(=NNC2=S)C3=CC=CO3 1 4.046 3 1 -2.57639941387369 843849 C1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-] 1 1.783 6 3 0 -14.4852706229984 843848 CN1C(=CC=N1)CNC(=O)C2=C(C=NN2C)Cl 1 0.955 5 1 0 -10.9294198497359 843847 CC1=C(C=CO1)C(=O)NNC(=S)NCC2=CC=CC=C2 1 2.252 3 2 -9.57236793644207 843845 COC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(S2)Cl 1 2.53 1 4 1.00521415529593 843841 CCCC1=CC(=CS1)C(=O)NNC(=S)NC2=CC=CC(=C2)C 1 4.691 3 1 -6.01686253852465 843839 CCCC1=CC(=CS1)C2=NNC(=S)N2CC(C)C 1 4.224 3 0 -6.33467676932142 843837 CC1=NN(C=C1NC(=O)CN2C(=CC(=N2)C(F)(F)F)C3CC3)C 1 2.322 5 1 -6.56244544292603 843834 CCC1=CC(=CS1)C(=O)NNC(=S)NCC2=CC=CC=C2 1 3.477 3 1 -12.2835688672199 843833 COC1=C(C=C(C=C1)CSC2=NCCN2)Br 1 2.969 2 1 -9.59796672433305 843824 CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CC=C(O3)Br 1 4.127 3 1 -2.4931479060251 843823 CN1C(=C(C=N1)Cl)C(=O)NC2=CC=C(C=C2)CN3CCCCC3 1 3.211 4 1 -1.79529438209761 843822 CCC(=C(C#N)C(=O)NC1CCCCC1)CC 1 3.529 2 1 -13.1574478762137 843818 CCC1=CC(=CS1)C2=NNC(=S)N2CC(C)C 1 3.768 3 0 -7.62011449768047 843761 CC(C)CN1C(=NNC1=S)C2=CC=CO2 1 2.688 3 1 -4.49053719481571 843765 CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CSC(=C2)C(C)C 1 4.697 3 1 -5.84113340849447 843767 CCC1=CC(=CS1)C(=O)NNC(=S)NC2=CC=CC=C2C 1 4.234 3 1 -10.6103608525144 843796 CCC1=C(SC=C1C(=O)NNC(=S)NCC2=CC=CC=C2)C 1 3.753 3 1 -10.6644407161779 843793 CC1=CC(=C(C=C1)C)N2C(=NNC2=S)C3=CC4=C(C=C3)OCO4 1 4.419 3 2 -4.02242739488955 843777 CCNC1=NC(=NC(=N1)NN2C=NN=C2)NC(C)C 1 -0.213 9 0 0 -9.06003965451543 843776 CCNC1=NC(=NC(=N1)NN2C=NN=C2)NCC 1 -0.59 9 0 0 -4.67700406895336 843775 CN(C)C1=NC(=NC(=N1)NN2C=NN=C2)N(C)C 1 -0.876 9 0 0 -4.483124779297 843758 CCCC1=CC(=CS1)C2=NNC(=S)N2C3=CC=CC(=C3)C 1 5.095 3 0 -1.99362096080643 843748 CC1=CC(=O)C2=C(N1)C(=CC=C2)Br 1 2.475 1 1 -2.88998742948495 843746 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NN(C=C2)CC3=CC=CC=C3F 1 2.428 6 3 0 -11.9185446623005 843744 CC1=CC(=C(C=C1)C)N2C(=NNC2=S)C3=CSC(=C3C)C 1 4.944 3 0 -4.09673925740148 843742 CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CSC3=C2CCCC3 1 4.805 3 1 -6.66354538213082 843740 CC1=NN(C=C1C(=O)NNC(=S)NC)C 1 0.352 5 1 0 -8.9932296779079 843739 CC(C)CN1C(=NNC1=S)C2=CSC3=C2CCCC3 1 4.339 3 0 -8.33167520443441 843725 CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=CO2)C(=O)N(C)C 1 1.674 4 3 0 -13.0858584471384 843721 CC(C)C1=CC(=CS1)C(=O)NNC(=S)NCC2=CC=CC=C2 1 3.94 3 1 -10.8224020088306 843716 CC1=[N+](ON=C1C(=O)NN=CC2=CC=NC=C2)[O-] 1 -2.642 5 3 0 -7.35257961122574 843706 CC1=CC(=CS1)C2=NNC(=S)N2CC3=CC=CC=C3 1 3.492 3 0 -2.59716522645757 843704 CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=C(C=CS2)C 1 4.2 3 1 -6.55526931243547 843702 CCNC1=NN=C(S1)CCN2C(=C(C(=N2)C)Br)C 1 1.84 5 0 0 -8.69809480832731 843698 CCN1C=C(C(=N1)C(=O)NC2=NN(C=C2)CC3=CC=CC=C3)[N+](=O)[O-] 1 2.708 6 3 0 -13.1516983886805 843691 CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CSC(=C2)C 1 3.567 3 1 -6.75274166231741 843688 C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=C(O3)Br 1 3.648 3 1 -2.62485878847456 843687 CC1=CC(=C(C=C1)C)N2C(=NNC2=S)C3=CSC(=C3)C 1 4.458 3 0 -4.5416490832026 843681 CCC1=CC(=CS1)C(=O)NNC(=S)NC2=CC=CC(=C2)C 1 4.234 3 1 -7.3023002668837 843678 CC1=CC(=CS1)C2=NNC(=S)N2CC(C)C 1 3.101 3 0 -6.57471716967601 843677 CCC1=C(SC=C1C2=NNC(=S)N2CC3=CC=CC=C3)C 1 4.435 3 0 -2.99413607608468 843671 CCN1C=C(C(=N1)C(=O)NC2=CC=CC(=C2)CN3CCOCC3)Cl 1 2.467 4 2 -5.90102228785171 843666 CC1=C(SC=C1C(=O)NNC(=S)NCC2=CC=CC=C2)C 1 3.296 3 1 -9.30907412311719 843658 CC1=CC=CC=C1NC(=S)NNC(=O)C2=CSC(=C2)C 1 3.567 3 1 -10.0608022479481 843657 CC1=C(C(=NN1CCC2=NNC(=S)N2C)C)Br 1 2.028 5 0 -6.7593182054596 843656 CCC1=CC(=CS1)C2=NNC(=S)N2C3=CC=CC(=C3)C 1 4.639 3 0 -3.27905868916548 843655 CCCC1=CC(=CS1)C(=O)NNC(=S)NCC2=CC=CC=C2 1 3.933 3 1 -10.9981311388608 843654 CC1=CC(=CC=C1)N2C(=NNC2=S)C3=C(OC=C3)C 1 3.414 3 1 -2.23757558389308 843652 CC(C)(C)C1=NNC(=C1)CNC(=O)C2=C(C=NN2C)Cl 1 2.578 5 1 -8.62044011045143 843649 CC1=C(C=NN1C)C=NNC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)O 1 2.096 4 2 -4.7269124189996 843638 CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=CSC(=C2C)C 1 4.54 3 1 -7.03811161044827 843633 CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CSC(=C3)C 1 3.972 3 0 -2.42195795549481 843631 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NN=CC4=CC=CO4 1 3.061 4 2 -5.74774128425815 843625 CC1=CC(=NN1CCC(=O)NC2CCCCCC2)[N+](=O)[O-] 1 2.681 4 3 0 -16.8600577654583 843624 CN1C=C(C(=N1)C(=O)NCC2=CC3=C(N2)C=CC(=C3)Cl)[N+](=O)[O-] 1 2.63 5 3 0 0.209964208512674 843621 CC1=C(C(=NN1C)C)C=NNC(=O)C(C)(C)OC2=CC=C(C=C2)Cl 1 3.057 4 2 -2.00112494894966 843620 CCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4CC4 1 3.677 4 0 -4.47923557736999 843615 CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3C=CC=N3)C 1 1.966 6 3 0 -9.28496375351025 843614 CCCC1=NC2=CC=CC=C2C(=C1)C3=NNC(=S)N3CC 1 4.042 4 0 -2.44754515347722 843604 CC1=CC=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.514 2 4 -5.47068702398865 843594 C1=CC=C(C=C1)CNC(=S)NC2=CC(=C(C=C2)OC(F)F)Cl 1 5.565 2 1 -6.58292658613223 843591 CC1=NN(C=C1C=NNC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)C 1 2.911 4 2 -0.357408140476499 843590 CC(=NNC(=S)N)C1=CC=C(S1)Br 1 2.301 3 0 -4.11227062401082 843585 CC1=C(C=CO1)C2=NNC(=S)N2CC=C 1 1.968 3 1 0 -7.89145928813214 843579 C1=CC=C(C(=C1)NC(=S)NCC2=CC=CO2)OC(F)F 1 4.083 2 2 -9.81057421425241 843576 CCOC(=O)C1=C(SN=C1C)NCC2=CC=CC=C2 1 2.845 2 2 -7.53012117106631 843573 C1=CC=C(C=C1)CCNC(=S)NC2=CC=CC=C2OC(F)F 1 5.222 2 1 -9.07906078265848 843568 CC1=CC(=NN1CCC(=O)NC2=NC=CS2)[N+](=O)[O-] 1 0.94 5 3 0 -15.4382594132819 843558 CCC1=CC(=CS1)C2=NNC(=S)N2C3=CC=CC=C3C 1 4.639 3 0 -6.0874116656316 843535 C=CCN1C(=NNC1=S)C2=CSC3=CC=CC=C32 1 3.58 3 0 -7.58736515136244 843529 CC1=NN(C=C1C=NNC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)O)C 1 2.233 4 2 -3.54013475764499 843487 CCC1=CC(=CS1)C(=O)NNC(=S)NC2=C(C=CC(=C2)C)C 1 4.721 3 1 -9.96414766443879 843522 CN1C=C(C(=N1)C(=O)NCC2=CC3=CC=CC=C3N2)[N+](=O)[O-] 1 1.965 5 3 0 -2.80826229757378 843520 CC1=CC=CC=C1N2C(=NNC2=S)C3=CSC(=C3)C 1 3.972 3 0 -5.23031093196093 843519 CC1=CC=CC=C1N2C(=NNC2=S)C3=CC=C(O3)Br 1 4.127 3 1 -5.44133878671286 843512 CC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=CC(=N2)[N+](=O)[O-])C 1 2.841 6 3 0 -16.1818564396433 843507 CCOC(=O)C1=C2N=C(C=C(N2N=C1)C(F)F)C3CC3 1 2.229 3 2 -12.6338468216672 843506 CC1=C(C=NN1C)C=NNC(=O)C(C)(C)OC2=CC=C(C=C2)Cl 1 2.774 4 2 -1.54418580183111 843505 C1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl 1 3.22 6 3 0 -10.3976019178856 843498 CC1=CN=C(C=C1)NC(=O)CCN2C(=CC(=N2)[N+](=O)[O-])C 1 1.818 5 3 0 -15.9117432698994 843493 CC1=C(SC=C1)C2=NNC(=S)N2CC=C 1 3.158 3 0 -10.3442419222687 843438 CC1=CN=C(C=C1)NC(=O)CCN2C=CC(=N2)[N+](=O)[O-] 1 1.672 5 3 0 -15.3345689375007 843446 COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)OC(F)F)Cl 1 4.068 1 3 -4.53532006372128 843452 CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)OC(F)F 1 4.57 1 2 -3.25653615728759 843457 COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(F)F)Cl 1 4.068 1 3 -2.81746747478523 843437 CC1=C(C(=NN1C)C(=O)N)Br 1 0.804 3 1 0 -1.51530622511952 843434 C1=CN=C(N=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 3.364 4 1 -4.84473155924537 843415 CC1=CC(=NO1)NC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)OC 1 3.304 2 4 -13.7139702810418 843413 CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)OC(F)F)OC(F)F 1 4.711 1 3 -5.75057892964841 843396 C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC(F)F 1 4.477 1 2 -7.38571168525024 843392 CCC1=CC=CC=C1NC(=O)CN2C(=CC(=N2)C(F)(F)F)C3CC3 1 4.332 3 1 -8.46680007767544 843391 CC1=C(C=CC=C1Cl)NC(=O)C2=CC(=CC=C2)OC(F)F 1 4.57 1 2 -2.7092285749868 843373 CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)OC(F)F 1 3.89 1 3 -4.28857950277851 843371 CC1=CC(=C(C=C1)C)NC(=O)CN2C(=CC(=N2)C(F)(F)F)C3CC3 1 4.362 3 1 -8.2649779920683 843369 CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N 1 3.151 3 1 2.37090896388469 843368 C1=CC(=CC(=C1)OC(F)F)C(=O)NC2=CC(=CC(=C2)Cl)Cl 1 4.749 1 2 -2.76872903685871 843346 CSC1=NC(=NC(=N1)C(Cl)Cl)C2=CC=CC=C2 1 3.779 3 0 4.87734528504119 843337 CC1=CC=C(C=C1)NC2=C(N=C(O2)C)C#N 1 2.456 3 1 -5.06500518827041 843322 CC1=CC=C(C=C1)C(=O)NC(=C(Cl)Cl)C#N 1 2.458 2 1 -1.89927061982489 843320 CC1=C(N=CC=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 1 2.725 2 3 -4.49598406909524 843308 CC1=CC=CC=C1NN2C(=O)C=CC2=O 1 1.896 2 2 0 -1.45957477438657 843296 CN1C(=CC=N1)C=NNC(=O)C2=CC=C(C=C2)Cl 1 2.289 4 1 -7.30903407628988 843294 CCC(=O)NC1=CC(=CC(=C1)ON=C(C)C)[N+](=O)[O-] 1 1.447 3 4 0 -7.19581232096731 843288 C1=CC(=C(C=C1F)F)NC(=O)C2=NN3C=C(C=NC3=C2)CCCl 1 2.648 4 1 -4.61721782708774 843285 CC(=NOC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCl)C 1 1.312 3 4 0 -8.05371704810795 843281 CCCC1=CC(=CS1)C(=O)NN=CC2=CC=CN2C 1 3.205 3 1 -9.4542612964259 843279 CC(=NOC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C)C 1 0.78 3 4 0 -6.89228358206728 843260 C1=C(SC=C1Br)C(=O)NN 1 1.042 2 1 0 -1.38321679825406 843259 C1CCN(C1)C(=S)NCCC2=CC=CC=C2 1 3.559 2 0 -11.2335471640297 843258 C1=CC(=CC(=C1)CN2C=C(C(=N2)[N+](=O)[O-])Br)C(=O)NN 1 1.755 5 3 0 -8.48966161771028 843257 C1=CC(=CC=C1[N+](=O)[O-])OCC2=CC=C(O2)C(=O)O 1 2.394 1 6 0 -6.32281904332548 843250 COC(=O)C1=CC=C(O1)COC2=CC=CC=C2[N+](=O)[O-] 1 2.62 1 6 0 -8.32832723198316 843248 C1=CC(=CC=C1[N+](=O)[O-])OCC2=CC=C(O2)C(=O)NN 1 1.274 3 5 0 -6.51260567272394 843246 CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C 1 2.653 2 2 -11.4776827783266 843243 COC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NN 1 1.891 2 3 0 -4.19515105046347 843242 CCN1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C 1 2.711 2 2 -9.42533813624827 843240 CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC 1 1.236 2 3 0 -14.468783136582 843238 C1=CC(=CC(=C1)COC2=CC(=CC=C2)Br)C(=O)NN 1 2.655 2 2 -3.50807604814045 843236 CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)N(C)C)C 1 2.528 1 4 -7.03977464179178 843234 CC1=CC=CC=C1OCC2=C(C=CC(=C2)/C=C/C(=O)O)OC 1 3.964 0 4 -1.9695621532625 843231 C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)NN 1 1.322 4 1 0 -6.85200811211414 843229 CC1=CC(=CC=C1)OCC2=C(C=CC(=C2)/C=C/C(=O)O)OC 1 3.964 0 4 -1.23414134633879 843211 CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OCC(=O)C(C)(C)C 1 4.931 0 4 -9.86733556898698 843209 CC1=C(C(=NN1C)C)/C=C(\C#N)/C(=O)N 1 0.217 4 1 0 -6.94271913149112 843208 COC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NN 1 1.891 2 3 0 -4.24552188798647 843204 CC(C)C1=CC(=CS1)C(=O)NN=CC2=COC=C2 1 2.724 2 2 -9.19481802357738 843198 CC(C)C1=CC(=CS1)C(=O)NN=CC2=CN=CC=C2 1 2.469 3 1 -6.05956972524026 843196 CC1=CC=C(O1)C=NNC(=O)C2=CSC(=C2)C 1 2.031 2 2 -7.28454935793672 843193 COC(=O)NC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=CC=C3 1 3.484 3 2 -2.15645455116756 843191 COC1=CC=CC=C1NC(=O)/C(=C/C=C/C2=CC=CO2)/C#N 1 2.768 2 3 -11.7647089194343 843190 CC1=CC2=NC(=C(N2C=C1)NC(=O)C3=CC=CC=C3)C4=CC=CS4 1 4.28 3 1 -9.71220529269004 843189 CCC(=O)NC1=C(N=C2N1C=C(C=C2)C)C3=CC=C(C=C3)C 1 3.816 3 1 -2.46837776692335 843184 CC1=CC(=CS1)C(=O)NN=CC2=CC=C(O2)N(C)C 1 2.172 3 2 -8.69549603391235 843181 CC1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)NC(=O)C4=CC=CO4 1 3.722 3 2 -2.90722281060772 843180 CC1=CC(=CS1)C(=O)NN=CC2=CN=CC=C2 1 1.34 3 1 0 -6.78288138472941 843176 CC1=CC2=NC(=C(N2C=C1)NC(=O)C3=CC=CO3)C4=CC=CC=C4 1 3.722 3 2 -3.81403858518998 843170 CC1=CN2C=C(N=C2C=C1)C3=CC(=C(C=C3)OC)Br 1 3.735 2 1 1.38234919688561 843151 CC1=CC=NN1CC(=O)NN=CC2=CN(N=C2C)C 1 0.263 6 1 0 -14.5126291583959 843141 CC1=C(C(=NN1C)C)C=NNC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C 1 0.833 7 3 0 -10.7420228897179 843132 CCC1=C(SC=C1C(=O)NN=CC2=CC=C(O2)C)C 1 2.973 2 2 -5.1921501833436 843128 CCC1=C(SC=C1C(=O)NN=CC2=CSC=C2)C 1 3.095 2 1 -6.3506390624472 843096 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)C 1 5.137 2 1 -3.11465313377023 843094 CC1=C(SC(=N1)NC(=O)C2=CC=C(O2)Br)C 1 2.003 2 2 -5.82530777149876 843090 C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(O3)Br 1 3.864 1 2 -2.62792086394493 843088 COC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)Br 1 2.568 1 3 -8.47323605429328 843085 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 0.89 5 3 0 -3.18442476329378 843081 C1C(=O)N(C(=S)N1)CC2=CC=CC=C2 1 1.722 2 1 0 -4.42164649033724 843080 C1CCCC(CCC1)NC(=O)C2=CC3=C(C=C2)OCO3 1 3.576 1 3 -8.7115438769169 843060 COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3=CC=CO3 1 3.375 1 4 -4.65253877263057 843049 COC(=O)C1=CC=C(O1)COC2=C(C(=CC(=C2F)F)F)F 1 3.547 0 4 -4.59485578429002 843045 C1CC2=C(C1)C=C(C=C2)OCC3=CC=C(C=C3)C(=O)O 1 4.083 0 3 -3.80401666521787 843036 CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC=CC(=C2)C 1 2.674 3 3 -6.93701316509697 843035 CCC(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2)OC 1 2.98 2 4 -7.94941460610529 843033 CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC=CC=C2F 1 2.394 3 3 -9.84936216644069 843031 CCC1=CC(=CS1)C(=O)NNC(=S)NC2CCCCC2 1 3.752 3 1 -12.0119049512696 843029 CCN1C(=C(C=N1)/C=C/C(=O)C2CC2)C 1 1.93 2 1 0 -4.56820038491602 843022 CCN1C(=NNC1=S)C2=CSC(=C2)C(C)C 1 3.387 3 0 -3.96655355215996 843016 CCN1C(=NNC1=S)C2=CSC3=C2CCCC3 1 3.496 3 0 -6.13928111730313 843013 CC(C)C1=CC(=CS1)C(=O)NNC(=S)NC2CCCCC2 1 4.215 3 1 -10.5507380928804 843011 CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC(=C(C=C2)C)F 1 2.88 3 3 -7.08125139243587 843006 CC1=C(C(=NN1CC(=O)NCC2=CC3=CC=CC=C3N2)C)[N+](=O)[O-] 1 1.817 5 3 0 -7.96697504079861 843004 CC(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2)OC 1 2.313 2 4 -8.01581514986336 843001 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 1.993 3 2 0 -6.20455581910317 842997 CC1=CC=C(C=C1)NC(=S)NNC(=O)CCN2C=C(C=N2)C 1 2.996 5 1 -12.6653493284935 842992 CN1C=C(C(=N1)C(=O)NNC(=S)NC2CCCCC2)Cl 1 3.02 5 1 -8.17148765854188 842990 CC1=CN(N=C1)CCC(=O)NNC(=S)NC2=CC=CC=C2 1 2.51 5 1 -12.3573848631957 842983 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 1.389 3 3 0 -4.50305585340703 842981 CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OCC 1 3.806 2 2 -10.8409131561507 842961 CC1=CN(N=C1)CCC(=O)NNC(=S)NC2=CC(=CC=C2)Cl 1 3.174 5 1 -9.45186146811694 842959 CC1=NN(C(=C1Cl)C(=O)NNC(=S)NCC2=CC=CO2)C 1 2.073 5 2 0 -10.417998903274 842946 CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CN=CC=C2)C)C 1 3.111 2 2 -2.16192368411534 842943 CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2F 1 3.679 2 1 -10.4371570222767 842941 CC1=CC(=CC=C1)NC(=S)NNC(=O)CCN2C=C(C=N2)C 1 2.996 5 1 -10.7777037751644 842936 CCC(=O)NC1=C(C=CC2=NSN=C21)C 1 2.231 3 1 -4.45003683612404 842928 CC1=NN(C(=C1Cl)C(=O)NNC(=S)NCC2=CC=CC=C2)C 1 2.891 5 1 -9.07932713351105 842925 CC1=CN(N=C1)CCC(=O)NNC(=S)NC2=CC=C(C=C2)F 1 2.715 5 1 -11.4888536993571 842923 CC1=NN(C=C1C(=O)NNC(=S)NC2=CC=CC=C2)C 1 2.206 5 1 -6.5186534910058 842915 CN1C=C(C(=N1)C(=O)NNC(=S)NCC2=CC=CO2)Cl 1 1.927 5 2 0 -9.78182334425505 842906 C1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=CC=C3F)/S2 1 3.531 2 1 -3.57694521065275 842891 C1COCCN1C2=NC(=O)/C(=C/C3=CC=NC=C3)/S2 1 0.945 3 2 0 -7.03618159901718 842888 CC1=C(C(=NN1C)C(=O)NNC(=S)NC2=CC=CC=C2)Cl 1 3.162 5 1 -4.90575993467496 842878 CCCC1=CC(=CS1)C(=O)NNC(=S)NC2CCCCC2 1 4.208 3 1 -10.7264672229106 842867 CC(C)CNC(=O)C1=NN2C(=CC(=NC2=C1)C3CC3)C(F)(F)F 1 3.342 4 1 -18.123730793422 842865 C1=CC=C2C(=C1)C=C(N2)CNC(=O)CN3C=C(C=N3)[N+](=O)[O-] 1 1.389 5 3 0 -9.11030083547656 842850 CCC1=NOC(=C1C(=O)NC2=NC=C(S2)C)C 1 1.306 3 2 0 -13.9336442622023 842847 CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCCN2CCOCC2 1 1.657 3 2 0 -14.8670013830625 842843 CCN1C(=NNC1=S)C2=C(C(=NN2C)C)Cl 1 2.339 5 0 -3.60853659680631 842837 CN1C=C(C(=N1)C(=O)NNC(=S)NC2=CC=CC=C2OC)Cl 1 3 5 2 0 -7.73696553134959 842836 CCN1C(=NNC1=S)C2=NN(C(=C2Cl)C)C 1 2.339 5 0 -2.02865384486205 842833 COC1=C(C=C(C=C1)C2=NN(N=N2)CC3=CC=CC=C3)OC 1 3.056 4 2 -2.35900517307851 842831 CCN1C(=NNC1=S)C2=NN(C=C2Cl)C 1 2.193 5 0 -0.808511110763635 842829 CC1=CC(=NN1C)C(=O)NNC(=S)NCC2=CC=CO2 1 1.409 5 2 0 -11.5894629072314 842824 CC1=C(C(=NN1C)C(=O)NNC(=S)NCC2=CC=CO2)Cl 1 2.073 5 2 0 -9.32123851729325 842822 CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NN(C=C2Cl)C 1 3.503 5 1 -5.20969062326342 842815 CN1C=C(C(=N1)C(=O)NNC(=S)NC2=CC(=CC=C2)Cl)Cl 1 3.681 5 1 -3.27695036807645 842811 CC1=CC(=C(C=C1)C)OCC2=CC=C(O2)C(=O)OC 1 3.698 0 4 -3.94158076951651 842761 CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)O 1 0.897 3 2 0 -8.77781933125354 842749 CC(C)CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl 1 2.884 2 3 -9.09352051909639 842748 CCC(C)(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl 1 3.511 2 3 -6.15247444318778 842727 CCN(C1=CC=CC=C1C)C(=O)C2=C(C=CC(=C2)Cl)OC 1 4.303 1 2 -8.75476252547914 842714 COC1=C(C=C(C=C1)C=O)COC2=C(C(=CC(=C2F)F)F)F 1 3.962 0 3 -5.43761951693483 842692 CC1=NN(C=C1C(=O)NNC(=S)NC2=CC=C(C=C2)Cl)C 1 2.871 5 1 -4.54000066204563 842689 CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NN(C(=C2Cl)C)C 1 3.648 5 1 -4.93740239063542 842682 CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C(=NN2C)C)Cl 1 3.648 5 1 -6.03416277661617 842675 CC1=NN(C=C1C2=NNC(=S)N2C3=CC=C(C=C3)F)C 1 2.816 5 0 -2.53985507147565 842664 CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=NN2C)Cl 1 1.058 4 3 0 -7.00991905216773 842661 CC(C)CC(=O)NCC1=CC=CC=C1OC 1 2.315 1 2 -14.3744591498902 842656 CC1=C(C(=NN1C)C(=O)NNC(=S)NC2=CC=C(C=C2)F)Cl 1 3.368 5 1 -4.03722877083637 842655 C1=CC=C2C(=C1)C(=CN2C3=CC=C(C=C3)F)C=O 1 3.87 1 1 4.11283740112788 842651 CC1=NN(C=C1C2=NNC(=S)N2C3=CC=CC=C3OC)C 1 2.594 5 1 -5.06353943871231 842644 CC1=CC(=NN1C)C(=O)NNC(=S)NC2=CC=CC=C2OC 1 2.481 5 2 0 -9.54460509432589 842640 CC1=NN(C(=C1)C(=O)NNC(=S)NC2=CC=CC=C2OC)C 1 2.481 5 2 0 -14.6011116891822 842639 CC1=NN(C=C1C2=NNC(=S)N2C3=CC=C(C=C3)Cl)C 1 3.275 5 0 -1.42973340635409 842630 CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CN(N=C2C)C 1 2.693 5 1 -6.55029594696625 842600 CC1=C(SC(=C1C(=O)OC)NC(=O)CCCC(=O)O)C 1 1.525 1 5 0 -22.0457362329126 842594 CC1=CC=C(C=C1)NC(=O)CC(C(F)(F)F)(C(F)(F)F)O 1 2.912 1 2 -5.79653337885355 842583 CC1=C(SC=C1C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])C 1 2.391 3 4 0 -2.99891769118746 842582 CN(C)S(=O)(=O)NC1=CC=CC=C1F 1 0.537 2 2 0 -2.88044059946873 842580 CC1=C(SC=C1C(=O)NN=CC2=CC=C(S2)Cl)C 1 3.389 2 1 0.777185132631491 842577 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=NC=C(C=C3)Cl 1 2.903 2 3 -3.427770226063 842571 CCC1=CC=C(S1)C=NNC(=O)C2=NOC(=C2)C 1 2.477 3 2 -11.2024369377374 842568 CN(C)S(=O)(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl 1 1.255 3 2 0 -9.15445423922241 842567 CC1=C(SC=C1C(=O)NN=CC2=CSC=C2)C 1 2.639 2 1 -4.99527246938651 842564 CC1=CC(=NO1)C(=O)NN=CC2=CC=CN2C 1 1.302 4 2 0 -14.7502897847743 842561 CC(=NNC(=O)C1=CC=CO1)C2=CC=C(S2)C(=O)O 1 1.933 2 4 0 -9.05606225496586 842559 CC(=NNC(=O)C1=CC=CS1)C2=CC=C(S2)C(=O)O 1 2.491 2 3 -9.35034295781596 842551 CCC(=NNC(=O)C1=CSC(=C1C)C)C2=CC=CS2 1 3.577 2 1 -6.76913225981723 842547 CC1=CC=C(S1)C(=NNC(=O)C2=CSC(=C2C)C)C 1 3.056 2 1 -6.57130889252628 842545 CC(=NNC(=O)C1=CC=CO1)C2=C(SC(=C2)Cl)Cl 1 2.639 2 2 -5.3333011250694 842540 CC1=C(SC=C1C(=O)NN=C(C)C2=CC=CO2)C 1 2.352 2 2 -3.46036729195528 842537 CC1=CC(=NO1)C(=O)NN=CC2=CC=CS2 1 1.664 3 2 0 -12.8906335925039 842534 CCC(=NNC(=O)C1=C(OC=C1)C)C2=CC=C(O2)C 1 2.12 2 3 -3.91444983032595 842532 CC1=C(SC=C1C(=O)NN=C(C)C2=CC=C(S2)Cl)C 1 3.369 2 1 -2.33823324285659 842497 COC1=C(C=CC(=C1)SC)C(=O)NC2CCCCC2 1 3.421 1 2 -4.60225217796654 842496 C1CCC(CC1)NC(=O)CC2=CC=C(C=C2)Br 1 3.679 1 1 -7.23741348219858 842495 C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=CC=C3 1 2.708 2 2 -3.03686956921654 842494 CC1=CC=C(O1)C=NNC(=O)C2=CC=C(C=C2)N3C=CC=C3 1 3.1 3 2 -4.89413518505806 842491 CCC1=CC=C(S1)C=NNC(=O)C2=CC=C(C=C2)OC3CCCC3 1 4.834 2 2 -6.03465035154512 842481 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(C)(C)C 1 1.938 2 3 0 -10.7580419343971 842473 CC(C)NC(=O)C1=CC=C(C=C1)COCC(C(F)F)(F)F 1 2.573 1 2 -15.8884152926218 842469 CC1=C(C=C(C=C1)C(=O)NN=C2CCSC2)[N+](=O)[O-] 1 1.786 3 3 0 -10.1939212641529 842467 CCN1C(=C(C(=N1)C)C=NNC(=O)CC2=CC=C(C=C2)Cl)C 1 2.809 4 1 -5.29878059096911 842455 CCN1C=C(C(=N1)C)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.797 4 3 0 -14.3624292570844 842454 CCN1C=C(C=N1)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.514 4 3 0 -14.0785250489024 842447 CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N(C(=N3)C)C 1 3.083 3 1 -2.6148025698767 842444 CC1=CC=C(O1)C(=NNS(=O)(=O)C2=CC=C(C=C2)OC)C 1 1.891 2 4 0 -2.20950935264718 842443 CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N(C=N3)C 1 2.822 3 1 -4.2207314282842 842440 CCC1=CC=C(S1)C(=NNS(=O)(=O)C2=CC=C(C=C2)OC)C 1 3.116 2 3 -7.02470755362606 842434 CC1=CC=CC(=C1)C(=O)NN=C(C)C2=CC=C(C=C2)N3CCOCC3 1 3 3 2 -7.77577539401977 842429 CC1=C(C=CC(=C1)C(=O)NC2=NOC=C2)[N+](=O)[O-] 1 1.988 3 4 0 -9.52883657119393 842419 CC(=O)N1CCC(=NNC(=O)C2=CC=CS2)CC1 1 0.391 3 2 0 -11.1910409542832 842418 CC(C)N1C2=CC=CC=C2N=C1C(=O)C3=CC=C(C=C3)OC 1 4.072 2 2 -2.82645469720058 842415 CC(=NNC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)N3CCCCC3 1 3.743 3 1 -7.16018771307433 842414 CC1=C(C=C(C=C1)C(=NOC(=O)C2=CC=C(C=C2)OC(C)C)C)C 1 4.807 1 3 -0.658991053075913 842394 CCC(=NOC(=O)C1=CC=C(C=C1)OC(C)C)C2=CC=C(C=C2)C 1 4.987 1 3 -1.41433702163454 842382 CC1=C(C=CO1)C(=O)NN=C(C)C2=CC=C(C=C2)N3CCOCC3 1 1.763 3 3 0 -7.11376513954552 842381 CN1C=NC2=C1C=CC(=C2)NCC3=CC(=C(C=C3)OC)OC 1 2.91 3 2 -4.56439209920709 842372 CCC(=NNC(=O)C1=C(ON=C1C2=CC=CC=C2)C)C3=CC=C(O3)C 1 3.417 3 3 -7.88293032230243 842367 CC1=CC(=NO1)C(=O)NN=CC2=C(C(=CC=C2)Cl)Cl 1 3.04 3 2 -7.7355618202191 842357 C1=CSC(=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.234 3 4 0 -4.10768413447238 842355 CC1=CC=C(O1)C=NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.821 3 5 0 -3.06174926446082 842353 C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NN=CC2=CSC=C2 1 1.942 3 4 0 -4.282851548507 842352 CN(C)C1=CC=CC(=C1)C(=O)NN=CC2=COC=C2 1 1.949 3 2 0 -11.5523801685193 842341 CC1=C(SC=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.72 3 4 0 -2.33875012966351 842327 CC1=C(SC=C1)C=NNC(=O)C2=CC=C(C=C2)N3C=CC=C3 1 3.999 3 1 -4.17113605026074 842325 C1=CN(C=C1)C2=CC=C(C=C2)C(=O)NN=CC3=CC=CS3 1 3.513 3 1 -6.0374642815944 842323 CC1=CC=C(O1)C=NNC(=O)C2=CC=C(C=C2)OC3CCCC3 1 3.609 2 3 -6.67691213630005 842311 CCN1C=C(C(=N1)C)C=NNC(=O)C2=CC3=C(C=C2)OCO3 1 1.732 4 3 0 -8.37902911100249 842309 CC1=NN(C=C1C=NNC(=O)C2=CSC3=CC=CC=C32)C 1 2.477 4 1 -1.79341841194986 842307 CCN1C=C(C(=N1)C)C=NNC(=O)C2=CSC3=CC=CC=C32 1 2.826 4 1 -4.82111506382641 842305 CC1=C(C=NN1C)C=NNC(=O)C2=C(C3=CC=CC=C3S2)Cl 1 3.296 4 1 1.01807332902492 842304 CCN1C(=C(C=N1)C=NNC(=O)C2=CC3=C(C=C2)OCO3)C 1 1.595 4 3 0 -7.80180915930547 842300 CN(C)S(=O)(=O)NC1=CC=CC=C1OC 1 0.315 2 3 0 -5.3285827775866 842299 CCN1C(=C(C=N1)C=NNC(=O)C2=CSC3=CC=CC=C32)C 1 2.689 4 1 -4.24389511212939 842298 CC1=C(C=NN1C)C=NNC(=O)C2=CC3=C(C=C2)OCO3 1 1.246 4 3 0 -6.53811012048055 842295 CC1=C(C(=CC=C1)C)NC(=O)C2=C(C=C(C=C2)SC)OC 1 4.112 1 2 -3.25169041356062 842293 CC1=NN(C=C1C=NNC(=O)C2=CC3=C(C=C2)OCO3)C 1 1.384 4 3 0 -5.35133245912593 842291 CC1=C(C=NN1C)C=NNC(=O)C2=CSC3=CC=CC=C32 1 2.34 4 1 -2.98019607330447 842290 CC1=NN(C=C1C=NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C 1 3.433 4 1 2.20485099037953 842286 CC(=NNC(=O)C1=CC=CC=N1)C2=CC=C(S2)C(=O)O 1 1.816 3 3 0 -11.4468756353977 842278 C1=CSC(=C1)CC(=O)NC2=CC(=C(C=C2)F)F 1 3.013 1 1 -6.55339262135757 842274 CC1=C(C(=NN1C)C)C=NNC(=O)C2=CSC3=CC=CC=C32 1 2.623 4 1 -3.43713522042302 842273 CCN1C(=C(C(=N1)C)C=NNC(=O)C2=CNC3=CC=CC=C32)C 1 2.403 5 1 -4.17366195432698 842272 CC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)SC)OC 1 3.626 1 2 -2.10711272817763 842265 COC1=C(C=CC(=C1)SC)C(=O)NCC2=CC=CC=C2 1 3.147 1 2 -6.33178372811248 842264 CC1=C(SC=C1C(=O)NN=CC2=CC=C(C=C2)OCC(C)C)C 1 4.152 2 2 -6.8992907855302 842261 CC1=C(SC=C1C(=O)NN=CC2=CC=C(C=C2)OC(C)C)C 1 3.686 2 2 -4.96369042428007 842253 CN(C)C1=CC=CC(=C1)C(=O)NN=CC2=CSC=C2 1 2.507 3 1 -9.95160553310188 842250 CC1=CC(=NO1)C(=O)NN=CC2=CC=CC=C2Br 1 2.459 3 2 -10.2817599283515 842249 C1=COC(=C1)CNC(=O)CC2=CC=CS2 1 1.791 1 2 0 -13.6592130639525 842240 CCC(C)(C)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.246 4 3 0 -10.800388721118 842237 CCOC1=CC(=C(C=C1)C=NNC(=O)C2=CSC(=C2C)C)OCC 1 3.641 2 3 -3.52536748946495 842231 CC1=CC(=C(O1)C)C(=NNC(=O)C2=CN=CC=C2)C 1 0.908 3 2 0 -11.5299575201223 842230 COC1=C(C=CC(=C1)SC)C(=O)NC2=CC=NC=C2 1 1.989 2 2 0 -2.52440307451788 842200 CCN1C(=C(C(=N1)C)C=NNC(=O)C2=CC3=C(C=C2)OCO3)C 1 1.878 4 3 0 -9.52210845159625 842197 CC1=C(C=NN1C)C=NNC(=O)C2=CNC3=CC=CC=C32 1 1.772 5 1 0 -1.18966362321128 842192 CCN1C=C(C(=N1)C)C=NNC(=O)C2=CNC3=CC=CC=C32 1 2.258 5 1 -3.03058261373322 842190 CC1=CC(=NO1)C(=O)NN=CC2=CC=C(C3=CC=CC=C23)OC 1 2.603 3 3 -8.63590573330325 842187 CCC1=CC=C(S1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4 1 4.675 3 1 -8.42504969119461 842186 CC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NN 1 0.456 4 1 0 -1.93795822719531 842185 C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=COC=C4 1 3.013 3 2 -11.8891883954132 842184 CC1=CC=C(S1)C(=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4)C 1 3.989 3 1 -11.8018367781929 842179 C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=CS4 1 3.863 3 1 -10.2106405724859 842132 CCN1C=C(C=N1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC 1 1.887 3 3 0 -18.6587224667995 842176 CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=C(S3)C(=O)O 1 2.306 2 5 0 -11.333370986738 842172 CC(=NNC(=O)C1=CC=NC=C1)C2=CC3=CC=CC=C3O2 1 2.108 3 2 -2.07212000701718 842163 CCCC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CC=C(O3)C 1 3.816 3 2 -6.32586490604052 842099 CCN1C=C(C=N1)CNC(=O)C2=CC=C(S2)C 1 1.719 3 1 0 -10.5097267777756 842097 CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=CC=CC=C2O)C 1 3.412 4 2 -2.74012084876268 842092 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC3=CN=CC=C3 1 2.657 2 3 -6.65078836455827 842091 CC1=CC(=NO1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC 1 1.885 3 3 0 -7.12958207225314 842089 CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=CC(=CC=C2)OC)C 1 3.638 4 2 -6.93594985795867 842082 CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3 1 2.608 1 4 -9.90006045748976 842080 CCN1C=C(C=N1)C(=O)NC(=S)NC2=CC(=CC=C2)O 1 2.522 4 2 -10.99013095999 842078 CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)OC)C(=O)N 1 2.199 2 3 -9.3780686990059 842071 C1CC1C2=NN=C(S2)NC(=O)COC3=C(C=CC(=C3)Cl)Cl 1 3.271 3 2 -8.32192266505643 842069 CC1=CC(=NC=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl 1 4.971 2 1 3.54308628048018 842067 CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC 1 3.359 1 3 -4.53432096129757 842058 CC1=C(C(=NN1C)C)CN(C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.516 3 2 -2.77956476468202 842045 C1=CC(=C(C(=C1)Cl)C(=O)NCC2=CC=CO2)F 1 2.673 1 2 -9.91039323394573 842020 CCN1C=CC(=N1)C(=O)OC2=CC=C(C=C2)C(C)C 1 3.883 2 2 -8.43219876090481 842014 CCN1C=CC(=N1)C(=O)NC2=CC=CC=C2Cl 1 2.706 3 1 -8.89561445851658 842012 CC1=C(C=NN1C)CNC(=O)C2=C(C=CC(=C2)Cl)OC 1 2.065 3 2 -6.23508624967796 842009 CC1=NN(C=C1CNC(=O)NC2=CC=C(C=C2)Cl)C 1 2.126 4 1 -2.78653176800569 842004 CC(=O)C1=CC2=C(C=C1NC(=O)CCCC(=O)O)OCO2 1 0.759 1 6 0 -18.3318463426572 841995 CN1C=C(C=N1)CNC(=O)C2=C(C3=C(S2)C=CC=C3Cl)Cl 1 3.753 3 1 -1.64302030182936 841977 CCN1C=C(C(=N1)C(=O)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-] 1 2.607 4 3 0 -9.81462859419624 841963 CC1=C(C(=NN1C)C)C2=C(C(=NC3=C2CCCCCC3)N)C#N 1 3.379 5 0 -3.73978232418867 841949 CC(=O)NC(=C(Cl)Cl)S(=O)(=O)C1=CC=CC=C1 1 1.982 1 3 0 -7.08942391716838 841948 C1=CC=C(C=C1)CC(=O)NNC(=O)NC2=CC(=CC=C2)Cl 1 2.478 3 2 -4.75054005082296 841942 C1=CC(=CN=C1)CNC(=S)NC2=CC(=C(C=C2)Cl)Cl 1 4.274 3 0 -7.81078214780819 841941 C1=COC(=C1)CNC(=S)NC2=CC=C(C=C2)Cl 1 3.941 2 1 -7.23946942456803 841904 CC(C)CNC(=S)NC1=CC=C(C=C1)F 1 3.909 2 0 -7.2083261874933 841905 C1COCCN1CCNC(=S)NC2=CC=C(C=C2)Cl 1 3.003 3 1 -8.61416813275912 841939 CC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=N2 1 3.646 3 0 -9.11273503406008 841930 CCN1C(=CC=N1)C(=O)NC2=C(CCC2)C#N 1 1.319 4 1 0 -13.4731554530369 841929 C1=CC(=CC(=C1)Cl)NC(=S)NCC2=CC=NC=C2 1 3.609 3 0 -4.68311663468289 841928 CC1=CC=C(C=C1)NC(=S)NCCN2CCOCC2 1 2.824 3 1 -10.4361668233459 841923 CCCC1=CC(=C(S1)NC(=O)C2=NOC(=C2)C)C(=O)OC 1 2.553 2 4 -15.5939102380594 841917 CC1=NC(=CC=C1)NC(=O)CC2=C(C=CC=C2Cl)F 1 3.19 2 1 -6.87533814496478 841894 CC1=C(C(=C(S1)NC(=O)CCC(=O)O)C(=O)N)C2=CC=CC=C2 1 1.248 2 4 0 -11.7043760671897 841893 CC1=NN(C=C1CNC(=O)C2=C(C=CC(=C2)Cl)OC)C 1 2.202 3 2 -6.25876202118543 841892 CC1=NN(C=C1CNC(=O)COC2=C(C=C(C=C2)Cl)Cl)C 1 2.718 3 2 -7.01713798489821 841888 CCN1C(=CC=N1)C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C 1 2.486 3 3 -16.1725154366486 841874 CC(C)(C)C1=CC(=NO1)NC(=O)C2=CC=C(C=C2)OC3CCCC3 1 4.685 2 3 -11.5313532410896 841870 CCC1=CC(=CS1)C(=O)NC2=C(C=C(C=C2)C)Br 1 4.323 1 1 -8.09288210664061 841861 CN1CCN(CC1)C(=S)NC2=CC(=C(C=C2)Cl)Cl 1 4.334 3 0 -6.24261150685473 841855 C1CCC(CC1)NC(=S)NCC2=CC=NC=C2 1 2.949 3 0 -9.35174601294587 841854 C1=CC(=C(C=C1Cl)Cl)NC(=S)NCC2=CC=NC=C2 1 4.274 3 0 -4.59502649147612 841853 C1=CC(=C(C=C1NC(=S)NCC2=CC=NC=C2)Cl)Cl 1 4.274 3 0 -5.81189719817492 841848 CC1=CN(C=N1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 1.251 3 4 0 -10.0931731635405 841829 CC1=CC=C(C=C1)NC2=C(C(=O)CS2)C(=O)OC 1 2.58 1 3 -6.44558492311478 841821 C1=CC=C(C=C1)NC(=S)NCC2=CC=CS2 1 3.835 2 0 -10.0102816476876 841818 CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC 1 2.61 3 3 -20.608656845007 841803 CC1=C(C=NN1C)C2=C(C(=NC3=C2CCCCCC3)N)C#N 1 3.097 5 0 -5.38158406643102 841798 CCCC1=NC2=CC=CC=C2C(=C1)C(=O)OC 1 3.277 1 2 -5.78552012687343 841795 C1=CC(=C(C=C1NC(=S)NC2=CC(=C(C=C2)F)Cl)Cl)F 1 6.106 2 0 -2.23582556988067 841774 CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-] 1 2.458 4 4 0 -6.18387394189964 841766 COC1=CC=C(C=C1)CNC(=O)CN2C=C(C=N2)[N+](=O)[O-] 1 1.001 4 4 0 -16.5096759652064 841759 CS(=O)(=O)N1CCN(CC1)C2=NC=CC=N2 1 -0.878 4 2 0 -10.0509766610825 841755 CCN1C(=C(C=N1)Br)C(=O)NC2=CC(=CC(=C2)C)C 1 3.625 3 1 -5.16076243253139 841728 CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)C)C 1 1.777 3 5 0 -9.09134048933415 841719 C1CCCC(CCC1)NC(=O)CCC(=O)O 1 1.989 1 3 0 -12.715547072982 841713 COC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)F 1 2.834 1 3 -2.94266314112027 841703 CCN(CC)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 3.161 2 3 -6.43131523862228 841695 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC#N 1 0.948 3 3 0 -6.50872589748163 841688 CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NOC(=C2)C 1 0.937 5 4 0 -15.9692254639217 841686 C1=CC=C(C=C1)CNC(=O)CN2C=CC(=N2)[N+](=O)[O-] 1 1.556 4 3 0 -17.5639640156294 841677 CCN1C=CC(=N1)C(=O)NC2=NCCS2 1 1.529 4 1 0 -16.2944876994169 841673 CC1=C(C(=NN1C)C(=O)N2CCCC2)Cl 1 1.593 3 1 0 -4.07983706810399 841659 C1=CC=C(C(=C1)CNC(=O)CN2C=C(C=N2)[N+](=O)[O-])Cl 1 1.682 4 3 0 -17.4603491865457 841657 CN1C(=C(C=N1)Cl)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)N 1 1.936 4 2 0 -10.6318701076315 841656 CC1=CC(=C(C(=C1)C)NC(=O)C2=CN(N=C2)C)C 1 2.723 3 1 -5.92206321884069 841647 CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=CN=CC=C3)Cl 1 3.767 2 1 1.18980323368604 841638 C1CCC(C1)NC(=O)C2=CC=C(O2)Br 1 2.403 1 2 -7.04722312398613 841635 CCC1=CC=C(C=C1)NC(=O)C2=NC=CN=C2 1 1.684 3 1 0 -7.62705471916353 841630 C1=COC(=C1)CNC(=O)C2=NC=CN=C2 1 -7.e-002 3 2 0 -12.8125120328864 841629 CC1=CC=C(O1)C(=O)NC2=CC3=C(C=C2)OCO3 1 1.923 1 4 0 -4.90246131714391 841628 C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC=CN=C3)C(=O)N 1 0.913 4 2 0 -14.6694579762209 841627 CC1=CC=CC=C1N2C(=NNC2=S)C3=CC=CO3 1 3.559 3 1 -3.50229339337844 841626 CC1=C(SC2=C1C(=O)N(C(=N2)C)N=CC3=CC=C(C=C3)OC)C 1 3.082 3 2 -7.5181342888318 841625 COC1=CC=C(C=C1)C(=S)N2CCCCCC2 1 4.024 1 1 -3.62185224817715 841609 CC1=NN(C(=C1Cl)C(=O)NN=CC2=CC=CC3=CC=CC=C32)C 1 3.48 4 1 -1.15630745831438 841608 C1=CC=C2C(=C1)C(=CS2)C(=O)NN=CC3=CC(=CC=C3)O 1 3.303 2 2 -1.31276733625858 841604 C1=CC=NC(=C1)C=NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] 1 1.691 4 4 0 -5.62243239080212 841601 CCN1C=C(C(=N1)C(=O)N2CCCCCC2)[N+](=O)[O-] 1 1.939 4 3 0 -9.47963747077721 841598 CN1C(=C(C=N1)Cl)C(=O)NNC(=O)NC2=CC=CC3=CC=CC=C32 1 2.293 5 2 0 -7.82701892192654 841597 CC1=C(C=NN1C)C=NNC(=O)C2=CC(=CC=C2)F 1 1.684 4 1 0 -3.41633834862631 841586 C1CCC2=C(C1)C(=CS2)C(=O)NN=CC3=CC=CC=C3F 1 3.934 2 1 -4.55007690060514 841578 CC1=NN(C=C1C=NNC(=O)C2=CSC3=C2CCCC3)C 1 2.661 4 1 -4.23512936035268 841566 CC1=C(C=NN1C)C=NNC(=O)C2=C(OC=C2)C 1 0.728 4 2 0 -3.32248574877644 841565 CCN1C=C(C=N1)C=NNC(=O)C2=CC3=C(C=C2)OCO3 1 1.45 4 3 0 -11.2241893056402 841564 CC(C)OC1=CC=CC=C1C=NNC(=O)C2CC2 1 2.486 2 2 -7.28560577442281 841557 CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)NC4CC4 1 4.811 2 1 2.98724864971342 841553 CC1=NN(C=C1NC(=O)C2=CC=C(O2)Br)C 1 1.51 3 2 0 -4.2277664950581 841544 CC1=CC=C(O1)C(=O)NC2=NC3=C(S2)CCCC3 1 2.542 2 2 -5.48276111865053 841538 CC1=CC(=CC=C1)NC(=O)NCC2=CC=CC=N2 1 2.08 3 1 -4.90754968728046 841537 CCN1C(=C(C(=N1)C)NC(=O)C2=CC=C(O2)Br)C 1 2.004 3 2 -6.57980313846455 841535 C1CN(C2=CC=CC=C21)C(=O)CN3C=C(C=N3)[N+](=O)[O-] 1 1.291 4 3 0 -15.5562340863621 841534 CC(C)OC1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2 1 2.18 2 2 -11.067345125182 841522 CC1=CC(=NN1CC(=O)NC2CCCC2)C(F)F 1 1.969 3 1 0 -12.84741799294 841521 CC1=CC(=NO1)NC(=O)C2=C(C(=NN2C)C)Cl 1 1.641 4 2 0 -12.0056175522802 841512 C1CCCC(=NNC(=O)C2=CC3=C(C=C2)OCO3)CC1 1 2.632 2 3 -10.8108818087811 841499 CN1C=C(C(=N1)C(=O)NC2CCCCCCC2)[N+](=O)[O-] 1 2.781 4 3 0 -8.60107460729032 841495 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-] 1 2.959 2 5 0 -9.81557873889039 841491 COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)OC 1 2.367 1 5 -13.257135855797 841484 CC1=C(C(=NN1C)C(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-] 1 1.518 4 5 0 -8.18578407302756 841483 CC1=NN(C=C1CNC(=O)CCC(=O)O)C 1 -0.265 3 3 0 -14.697272098118 841477 CCN1C(=C(C=N1)C(=O)NC2=CC=CC=C2C)C 1 2.245 3 1 -8.60926341229173 841465 C1=CC=C2C(=C1)C(=CS2)C(=O)N3C=CC=N3 1 2.79 2 1 -0.370620707501272 841455 CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(C=CC=C2C)C 1 2.771 4 3 0 -8.13984272815349 841446 CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN=CC2=CC=C(C=C2)OC)C 1 1.785 5 4 0 -5.3512057903503 841436 CC1=C(C=NN1C)C=NNC(=O)C2=CC=C(C=C2)F 1 1.684 4 1 0 -3.52899443645041 841432 CC1=CC=C(C=C1)NC(=S)NN2C=NN=C2 1 2.122 5 0 -6.20912586166354 841429 C1CCC(CC1)NC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 1.837 3 3 0 -15.5360513432093 841427 CC1=C(SC=C1)C(=O)NN=CC2=CC=CC=C2C 1 3.609 2 1 -6.01866426617297 841419 C1=CC=C(C=C1)CNC(=O)COC2=CC=CC=C2C=NNC(=O)N 1 1.435 4 3 0 -13.0829142568841 841417 CC1=NN(C(=C1Cl)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C 1 3.061 4 3 0 -5.54805117043999 841414 CC(C)OC1=CC=CC=C1C=NNC(=O)C2=CC=C(C=C2)F 1 3.598 2 2 -5.01119139351238 841411 CC1=CC(=CC=C1)NC(=O)NNC(=O)COC2=CC=C(C=C2)Cl 1 2.765 3 3 -3.64397657756267 841409 CC1=C(SC=C1)C(=O)NN=CC2=CC=C(C=C2)SC 1 3.664 2 1 -4.6629780268328 841387 CN1C=CC(=N1)C(=O)NN=CC2=CC=NC=C2 1 0.611 5 1 0 -8.08914029060228 841378 CC1=C(C(=CC=C1)OCC(=O)NNC(=O)NC2=CC(=CC=C2)Cl)C 1 3.251 3 3 -3.23848934644627 841363 CC1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC=C(C=C2)OC 1 2.249 3 3 -5.70951714010372 841362 CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=CC=C(C=C3)F 1 3.543 4 1 -4.2133765646252 841357 CC1=CC=C(S1)C(=O)NCC2=CC=C(C=C2)F 1 2.925 1 1 -6.07988731547244 841354 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=C(C(=NN2C)C)Cl 1 3.431 5 1 -8.988483753932 841342 COCC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)Cl)OC 1 3.135 2 3 -6.69369652078315 841341 CC1=CC=C(C=C1)CNC(=O)C2=C(C=CS2)C 1 3.547 1 1 -9.00963995332932 841336 CCN1C(=C(C=N1)C(=O)NC2=CC=C(C=C2)F)C 1 1.964 3 1 0 -5.23470681127783 841328 CC(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=C(O2)CN3C=CC=N3 1 3.584 4 2 -7.77483471143854 841318 COC1=NNC(=C1[N+](=O)[O-])C(=O)NCC2=CC=CC=C2 1 1.774 4 4 0 -8.94416996418825 841311 CC(=NNC(=O)C1=CC=C(C=C1)F)C2=CC=C(C=C2)NC(=O)C 1 1.989 3 2 0 -9.43180277694245 841306 CC1=C(SC=C1)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-] 1 3.017 3 3 -8.96249275465985 841301 CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN=CC2=CC=CC=C2)C 1 1.801 5 3 0 -5.11018339829051 841276 CCN1C=C(C(=N1)C)C=NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.893 5 3 0 -8.0720977283194 841275 CC1=CC(=NC(=C1C#N)SCC2=CC3=C(C=C2Cl)OCO3)C 1 4.424 2 2 -7.50792607472314 841271 CC1=CC(=CC=C1)NC(=O)NNS(=O)(=O)C2=CC=C(C=C2)F 1 2.174 3 3 -4.41209421734492 841269 C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)N 1 1.056 2 2 0 -9.5240594611674 841256 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C=NN2)Cl 1 1.908 4 3 0 -5.97882206651664 841252 CC1=NN(C=C1C=NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C 1 1.545 5 3 0 -5.04440107644285 841245 CSC1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)O 1 2.983 2 2 -0.933269438334523 841228 CCN1C=C(C=N1)C=NNC(=O)CC2=CC=C(C=C2)Cl 1 2.381 4 1 -7.00086144501309 841225 CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN=CC2=CC=CC=N2)C 1 1.079 6 3 0 -3.49960114200596 841221 CC1=C(SC=C1)C(=O)NNC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.548 3 2 -5.69661743894177 841207 CCN1C=C(C(=N1)C)C=NNS(=O)(=O)C2=CC=C(C=C2)C 1 2.153 4 2 -2.218975407128 841205 CC1=NN(C=C1CNC(=O)C2=CC=C(C=C2)F)C 1 1.759 3 1 0 -6.33390344812008 841204 CC1=CC=C(O1)C(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)F 1 3.133 3 2 -5.93556206901511 841200 CC1=C(C(=NN1CC(=O)NCC2=CC=CC=C2OC)C)[N+](=O)[O-] 1 1.429 4 4 0 -17.4806080015944 841194 CCC(=O)NC1=CC=C(C=C1)C(=NNC(=O)C2=CC=C(S2)C)C 1 2.55 3 2 -10.0453017166544 841187 CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)N3C=CC=N3)Cl 1 4.119 2 3 -0.870136470826938 841186 CC1=C(C=NN1C)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 1.373 5 3 0 -6.33526924927289 841179 CC1=CC(=C(O1)C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] 1 1.903 2 4 0 -8.20001349698976 841172 CCN1C(=CC=N1)C(=O)NC2=CC(=CC(=C2)Cl)Cl 1 3.233 3 1 -8.67397538820836 841169 CC1=C(C(=NN1CC(=O)NCC2=CC=CC=C2F)C)[N+](=O)[O-] 1 1.651 4 3 0 -16.3903617107668 841165 CC(=NNC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)C(F)(F)F 1 2.872 3 2 -10.5095991769087 841163 CC1=CC=C(C=C1)CNC(=O)C2=NN(C(=C2[N+](=O)[O-])C)C 1 2.226 4 3 0 -7.40196446823057 841158 CC1=CN=C(C=C1)N/C=C/C(=O)C2=CC(=C(C=C2)OC)OC 1 2.412 2 3 -6.00699531869683 841147 C1=CN(N=C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl 1 2.96 2 2 -2.77571496809878 841141 CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=CC=C2)C(=O)N 1 2.036 2 4 -15.7223472377888 841131 CC(=NOC(=O)C1=CC=C(C=C1)OC)C2=CC=CC=C2 1 3.108 1 3 -1.55527080485668 841129 CC1=CC(=C(C=C1)C)OCC(=O)NN=CC2=CSC=C2 1 3.153 2 2 -5.82400986705636 841118 C1=CC(=CC(=C1)OC(C(F)F)(F)F)C(=O)NN=CC2=COC=C2 1 3.267 2 3 -9.48954699286229 841113 COCC1=C(C=CC(=C1)C=NNC(=O)CC2=CC=C(C=C2)Cl)OC 1 3.17 2 3 -6.58960600930773 841109 CN1C=CC=C1C=NNC(=O)C2=CC(=CC=C2)OC(C(F)F)(F)F 1 3.754 3 2 -9.67065536220541 841098 CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 2.885 2 5 0 -13.1224099590368 841086 CCC(=O)NC1=CC=C(C=C1)C(=NNC(=O)C2=CC=C(C=C2)OC)C 1 2.434 3 3 -10.8601747504519 841080 CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CCN(CC3)C 1 1.518 4 2 0 -7.85235276748566 841069 CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)N(C)C)C)C#N 1 2.957 3 2 -16.2901009615463 841068 CC1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC=CS2 1 2.219 3 2 -7.33309979557376 841063 CC1=C(SC=C1)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] 1 3.154 2 3 -7.91174487300272 841053 COCC1=C(C=CC(=C1)C=NNC(=O)COC2=CC=CC=C2)OC 1 2.306 2 4 -9.18005106141365 841048 COCC1=C(C=CC(=C1)C=NNC(=O)CC2=CC=C(C=C2)OC)OC 1 2.489 2 4 -8.65579806012925 841025 CC1=CC=C(C=C1)NC(=O)NNC(=O)COC2=CC=C(C=C2)Cl 1 2.765 3 3 -5.5316221308918 841008 COC1=CC=CC(=C1)C(=O)NCCC2=CCCCC2 1 3.349 1 2 -10.6536303385642 841000 CC1=C(C=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)SC)C 1 4.197 2 1 -2.4376792138318 840995 CCOC1=C(C(=CC(=C1)C=NO)Cl)OC 1 2.637 1 3 -0.365809021588599 840953 CC1=CC(=NO1)C(=O)NNC(=S)NCC2=CC=CC=C2 1 2.031 4 2 -15.0105520038579 840933 C1CC1NC(=O)/C(=C/C2=C(NN=C2)C3=CC=C(C=C3)Cl)/C#N 1 2.752 4 1 -10.7273227274826 840931 CC1=CC=C(C=C1)C2=C(C=NN2)/C=C(\C#N)/C(=O)NC3CCCCC3 1 3.943 4 1 -12.3901837520703 840930 CCCC1CCC(=C(C#N)C(=O)N)CC1 1 2.714 2 1 -4.46878079670949 840920 CCC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C)C3=CC=C(S3)C 1 3.898 3 1 -7.51044353287177 840919 CC1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=C(S2)C)/C#N 1 3.513 2 1 -10.6762954231073 840915 COC1=CC(=C(C=C1)OC)C=NNC(=O)CCC2=CC(=C(C=C2)O)O 1 2.657 2 5 0 -2.81340985813786 840906 COC1=CC=C(C=C1)C2=C(C=NN2)/C=C(\C#N)/C(=O)NC3CC3 1 2.072 4 2 -12.9622876272135 840894 CN1C=CC=C1C=NNC(=O)C2=CC=C(C=C2)OC(C(F)F)(F)F 1 3.754 3 2 -8.20001928504017 840891 C1=C(OC(=C1)C(=O)NN)CN2C=C(C=N2)Br 1 0.795 4 2 0 -3.92320105804218 840889 CCN1C=C(C(=N1)C(=O)NN)Br 1 0.515 4 1 0 -5.20947386670142 840887 C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=O)C3=CC(=CC(=C3)O)O 1 1.61 2 5 0 -2.09220566562149 840883 C1CSCC1=NNC(=O)C2=C(C=CC(=C2)Cl)O 1 1.827 2 2 0 1.17797207013893 840881 C1=COC(=C1)C(=O)NN=CC2=COC=C2 1 1.182 2 3 0 -7.86026996300333 840875 C1COCCN1NC(=S)NC2=CC(=C(C=C2)F)Cl 1 2.712 3 1 -4.98486580566377 840873 C1=CSC=C1C=NNC(=O)C2=CC(=CC(=C2)O)O 1 1.861 2 3 0 -3.92053052601552 840860 C1C2CC3CC1CC(C2)C3=NNC(=O)C4=C(C=CC(=C4)Cl)O 1 3.516 2 2 5.23346587084236 840853 CC1=CC(=NC(=N1)SCC(=O)N)C 1 0.533 3 1 0 -9.64426980183255 840851 CC1=CC(=C(C=C1)C=NNC(=O)CC2=CNC3=CC=CC=C32)C 1 3.984 3 1 -4.79716291960726 840849 C1CSCC1=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 1.299 3 3 0 -9.88954668662026 840845 C1=CC=C(C=C1)/C=C(/C=NN2C(=NN=N2)N)\Br 1 1.393 6 0 0 -7.92080528955564 840843 CNC1=NC(=NC(=N1)NC2=CC=CC=C2)Cl 1 2.092 5 0 -3.28651197398677 840776 C1=CC=C(C(=C1)OCC2=CC=CC(=C2)C(=O)NN)Br 1 2.655 2 2 -3.64432071064344 840782 C1CCCC(CCC1)NC(=O)NC2=CC=CC=C2 1 3.716 2 1 -6.66601769282746 840783 C1CCCC(CCC1)NC(=O)NC2CCCCC2 1 3.998 2 1 -6.07697970976717 840784 COC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)NN 1 1.891 2 3 0 -7.55566718888274 840833 CCOC1=C(C(=CC(=C1)C=NNC(=O)N)Br)OC(C)C 1 2.599 3 3 -9.21877467147723 840823 CCC(=NNC(=O)C1=CNC2=CC=CC=C21)C3=CC=CS3 1 3.577 3 1 -5.30587440719769 840796 CC1(CC(=O)C(=NNC2=C(C=C(C=C2)OC)OC)C(=O)C1)C 1 2.438 2 4 -10.9781927249097 840773 CC1=NN(C=C1/C=C(/C#N)\C(=O)N)C 1 7.1e-002 4 1 0 -6.82595151577073 840764 C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] 1 1.568 3 6 0 -12.0355465518993 840757 CC(C)OC(=O)/C(=C(\C)/C1=CC(=C(C=C1)OC)OC)/C#N 1 3.132 1 4 -15.3363427538865 840751 C1=CC=C2C=C(C=CC2=C1)OCC3=CC=C(C=C3)C(=O)NN 1 2.815 2 2 -1.09038741189196 840750 COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)NN 1 1.364 2 4 0 -8.33696680412967 840737 C1COCCN1CCNC(=S)NC2=CC(=CC=C2)Cl 1 3.003 3 1 -7.68729756664049 840736 C1=CC(=CC(=C1)Cl)NC(=S)NCC2=CC=CO2 1 3.941 2 1 -6.40999308497419 840732 CC1=CC(=NC(=C1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C 1 2.701 3 3 -6.85149425206897 840730 CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NN)C)Cl 1 1.666 4 1 0 -7.19799842643856 840699 CC(C)N1CCC(=NNC(=O)C2=CC=CC=C2[N+](=O)[O-])CC1 1 1.799 4 3 0 -12.2090113604249 840690 C1CCC(CC1)C=NNC(=O)C2=C(C=CC(=C2)Cl)O 1 3.46 2 2 2.18311858044725 840682 C1CCC(CC1)NC(=O)NCCC2=CCCCC2 1 3.555 2 1 -13.4826417179861 840668 C1=COC(=C1)C=NNC(=O)C2=CC=C(O2)C(=O)NN=CC3=CC=CO3 1 2.013 4 5 0 -5.06107954228142 840664 CC1=C(C=CC(=C1)C(=O)NN=C(C)C2=CC=CC=C2Cl)[N+](=O)[O-] 1 3.708 3 3 -12.0259217346968 840663 CC(=NNC(=O)C1CC1)C2=CC(=C(C=C2)Cl)Cl 1 3.086 2 1 -5.808169978926 840656 CC1=C(C=C(C=C1)C(=O)NN=C2CCCC2)C 1 2.924 2 1 -8.08246253441455 840654 CC(C)OC1=C(C=C(C=C1)Br)C=NNC(=S)N 1 3.258 3 1 -1.9564085805535 840650 COC1=CC=CC(=C1OC)C=NNC(=O)C2=CC=CC3=CC=CC=C32 1 3.559 2 3 -3.38287778859235 840648 CC1=C(SC=C1)C=NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] 1 3.052 3 3 -6.28577125783149 840647 CN1C=C(C(=N1)C(=O)NN=CC2=C3C=CC=C4C3=C(CC4)C=C2)Cl 1 3.935 4 1 -1.39283532168719 840613 CCCN1C(=O)C2=C(N=C3N2CCS3)N(C1=O)C 1 1.674 4 2 0 -8.59301054483 840610 CC(=NNC(=O)C)C1=CC(=CC=C1)NC(=O)C2=CC=CS2 1 1.737 3 2 0 -8.95708742688885 840590 CCN1CCC(=NNC(=O)C2=CC=CO2)CC1 1 0.922 3 2 0 -7.72959310466122 840580 CC1=CC(=NO1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 2.99 3 2 -10.0151757103924 840574 C1=CC=C(C=C1)NC(=S)NN2C=NN=C2 1 1.636 5 0 0 -6.36578000003689 840572 CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)Cl 1 3.669 3 0 -6.04070150948133 840552 COC1=CC=C(C=C1)CCNC(=O)NC2CCCCC2 1 3.116 2 2 -10.2786215185136 840550 C1CC2=CC=CC=C2C(=NNC(=O)C3=CC=CC=C3[N+](=O)[O-])C1 1 3.339 3 3 -12.3079615908813 840548 C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=C(C=C3)F 1 4.069 2 2 -7.89135835237217 840542 CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2)[N+](=O)[O-] 1 2.903 3 3 -5.32693550108767 840536 C1COCCN1N=CC2=CC=CS2 1 1.205 2 1 0 -3.53937125853478 840528 COC1=CC=CC=C1C(=O)NN=CC2=CC=C(S2)Cl 1 3.079 2 2 -2.2851416231758 840521 CN(C)/C=C/C1=C(C(=NC(=N1)OC)OC)[N+](=O)[O-] 1 1.41 4 4 0 -3.27541140000481 840514 C1OC2=C(O1)C=C(C=C2)C(=O)NN=C(C3=CC=CC=C3)C4=CC=NC=C4 1 2.945 3 3 -9.60676233034292 840511 CN1CCN(CC1)N=CC2=CC=C(C=C2)OCC3=CC=CC=C3 1 3.088 3 1 1.94507034887869 840507 COC1=CC=CC=C1C(=O)NN=C2CCN(CC2)CC3=CC=CC=C3 1 2.745 3 2 -6.88783948113274 840497 C1=CC=C(C=C1)C(=NNC(=O)C2=CC=CC=C2Cl)C3=CC=CC=N3 1 4.27 3 1 -8.34936735931146 840496 CC(C)(C)NC(=O)CCN1CCOCC1 1 0.247 2 2 0 -11.8591462104112 840483 CCOC1=CC=C(C=C1)C(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=N3 1 3.938 3 2 -8.92220417627395 840481 CC1=CC=C(C=C1)CNC(=O)NC2CCCCC2 1 3.297 2 1 -8.7267609034817 840476 CCN1CCC(=NNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])CC1 1 1.907 4 3 0 -11.4443029318358 840475 CCC1=CC=C(S1)C=NNC(=O)C2=CC=C(O2)Br 1 3.412 2 2 -5.70934124323345 840468 COC1=CC=CC(=C1)C(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=N3 1 3.589 3 2 -8.35645629475401 840444 C1=CC=C(C(=C1)C(=O)NN=CC2=C(C=CC=C2Cl)Cl)F 1 4.217 2 1 -7.12447774196314 840435 CC(=NNC(=O)C1=CC=CO1)C2=CC=C(C=C2)NC(=O)C(F)(F)F 1 2.267 3 3 -10.0007027149329 840431 C1=CC(=CN=C1)C=NNC(=O)C2=CC(=C(C=C2)Cl)Cl 1 2.861 3 1 -3.42982732927856 840430 CCC1=CC=C(S1)C=NNC(=O)C2=CNC3=CC=CC=C32 1 3.742 3 1 -1.32499349328769 840429 C1=CC(=C(C(=C1)Cl)C=NNS(=O)(=O)C2=CC=C(C=C2)Cl)F 1 3.92 2 2 -1.38371103249481 840425 C1OC2=C(O1)C=C(C(=C2)C=NNS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-] 1 2.048 3 6 0 -5.43254026918919 840405 C1=CSC(=C1)C(=O)NN=CC2=CC=C(S2)Cl 1 3.049 2 1 -1.25398432403927 840404 CC(C)N1CCC(=NNC(=O)C2=CC=C(O2)Br)CC1 1 1.868 3 2 0 -9.7604079821723 840403 CC(C)N1C2=C(NC1=S)N(C(=O)NC2=O)C 1 0.993 4 2 0 -4.72007224748162 840401 CC1=C(C=CO1)C(=O)NN=C(C)C2=CC=C(S2)Br 1 2.434 2 2 -5.85200091205794 840391 CC1=CC=C(O1)C(=NNC(=O)C2=CNC3=CC=CC=C32)C 1 2.498 3 2 -0.536313090856881 840370 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=CC=CC3=CC=CC=C32 1 3.559 2 3 -2.95786562365535 840368 C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CO2 1 3.055 3 4 0 -9.97858456504191 840367 CCC(=NNC(=O)C1=CC=C(C=C1)N(C)C)C2=CC=CC=C2 1 3.493 3 1 -9.64386935126803 840366 CC1=CC(=C(C=C1)C(=NNC(=O)C2=CC=C(C=C2)N(C)C)C)C 1 3.798 3 1 -6.40454434169411 840363 CC1=C(C=C(C=C1)C(=NNC(=O)C2=CC=C(C=C2)N(C)C)C)C 1 3.798 3 1 -8.2247112313053 840359 CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NN2CCOCC2 1 2.903 3 2 -6.91400473231462 840355 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCC3=CC=CO3 1 2.039 1 4 -9.15960556991898 840354 CC1=CC(=CC=C1)NC(=O)C2=CN=C(C=C2)C(=O)NC3=CC=CC(=C3)C 1 3.649 3 2 -8.54990332378821 840339 C1CCC(CC1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 2.31 2 4 -5.94599870425704 840332 C1=CC2=NC=C(C=C2C=C1Br)Br 1 3.513 1 0 2.72910452432513 840321 CC1=CC=C(O1)C(=O)NC2=NN=C(S2)C 1 0.89 3 2 0 -9.27211416328714 840320 CC1=CN=C(C=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.383 3 3 -9.87050686709881 840315 CC1=CC(=NO1)NC(=O)C2=NC=CN=C2 1 -0.12 4 2 0 -16.3615770045357 840311 CN1C(=CC=N1)C(=O)NC2=C(C=CC(=C2)Cl)Cl 1 2.884 3 1 -7.52791095108718 840305 CC1=CC(=NO1)NC(=O)C2=CC=CC=C2OC 1 1.736 2 3 0 -14.709472251086 840302 CC1=CC=CC=C1C(=O)NC2=NOC(=C2)C 1 2.239 2 2 -15.7664599705132 840273 CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC(=C(C=C2)OC)OC 1 2.334 2 4 -10.1653511551089 840268 COC1=C(C=CC(=C1)C=O)OC(=O)NC2=CC=CC=C2 1 2.913 1 4 -6.62029864734856 840253 C1=CC2=C(C=C1S(=O)(=O)CCO)NC(=O)O2 1 0.326 1 5 0 -10.0774665975431 840244 CC1=C(C=CO1)C(=O)N2CCN(CC2)C3=CC=CC=C3 1 2.122 2 2 -1.38386028479674 840243 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)/C=C/C3=CC=CS3 1 3.5 2 1 -2.11267222119364 840227 C1CN(CCN1C2=CC=CC=C2)C(=O)/C=C/C3=CC=CS3 1 3.294 2 1 -3.18324666832591 840220 CC1=C(SC(=N1)NC(=O)C2=C(N=CC=C2)Cl)C 1 1.762 3 1 0 -3.22705877398111 840210 CN1CCN(CC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 1.268 4 3 0 -6.43870514862578 840199 CN1C(=CC(=O)N(C1=O)C)NC(=O)/C=C/C2=CC=C(C=C2)OC 1 1.317 3 4 0 -11.9134737804901 840141 CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)C4=CC=CC=C4)N)C 1 2.327 3 2 -17.8275979198668 840138 CCSC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)OC 1 2.207 3 3 -12.6584089615646 840126 CCN(CC)C(=O)C1=C(C(=C(S1)N)C(=O)OC(C)C)C 1 2.34 2 3 -9.64640098718153 840113 CC(=O)NC1=NC(=CS1)C(=O)O 1 5.e-003 2 3 0 -5.84396389245406 840102 CCCN(CCC)C(=O)C1=CC2=C(C=C1)OCO2 1 2.757 1 3 -9.55820263369452 840082 COC1=C(C=C(C=C1)/C=C/C(=O)NCC2=CC3=C(C=C2)OCO3)OC 1 2.824 1 5 -11.4550951184417 840037 CC1=NC(=C(C(=N1)NC(=O)C)C(=O)C)C2=CC=CC=C2 1 1.353 3 2 0 -3.1906228633799 840027 COC1=CC=C(C=C1)CN2C(=O)CC(=O)NC2=S 1 1.624 2 3 0 -5.27662598229296 840025 CCOC(=O)C1=C(SC(=C1C(=O)OCC)N)N 1 0.656 2 4 0 -2.37013458677445 840010 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=NC=CC=N2 1 0.954 4 4 0 -11.4964407928109 839995 C1=CC=C(C=C1)CCC(=O)NC2=NC=NN2 1 1.407 4 1 0 -10.3577929020796 839993 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2OC 1 1.434 4 4 0 -9.75899943348034 839988 CC1=C(C(=NN1C)C)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O 1 1.678 4 2 0 -0.688557109646213 839983 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2 1 1.45 4 3 0 -6.47424861907585 839966 CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCC3 1 3.228 2 3 -4.0158204430179 839954 C1CSC(=S)N1C(=O)C2=CC=CC=C2 1 2.947 1 1 -4.41001383227813 839932 CC1=CC=C(S1)C=NNC(=O)CC2=CC=C(C=C2)OC 1 2.8 2 2 -3.22970582214727 839929 CC(=NNC(=O)CC1=CC=C(C=C1)OC)C2=CC=CO2 1 2.077 2 3 -4.07552650825269 839927 CC(=NNC(=O)CC1=CC=C(C=C1)OC)C2=CC=CC=N2 1 1.96 3 2 0 -4.98175559546757 839920 C1=COC(=C1)C=NNC(=O)C2=CC=C(O2)Br 1 2.041 2 3 -6.39748284254299 839918 CC(=NNC(=O)C1CC1)C2=CN=CC=C2 1 0.606 3 1 0 -8.88569709098323 839914 CC(=NNC(=O)C1CC1)C2=CC=CS2 1 1.71 2 1 0 -10.3699493217086 839908 CC1=CC=C(S1)C=NNC(=O)C2=CC=C(O2)Br 1 2.745 2 2 -4.25397003571993 839901 CCSC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 3.011 3 1 -17.7958873653813 839899 CC(=NNC(=O)C1=CC=CC=C1OC)C2=CN=CC=C2 1 1.496 3 2 0 -9.68135651732107 839897 C1CC1C(=O)NN=CC2=CC=CO2 1 1.172 2 2 0 -6.62688028674678 839896 CCC1=C(SC(=C1C#N)NC(=O)C2=CC=CS2)C 1 3.321 2 1 -12.972610870914 839890 CC1=CC(=NN1CC(=NNC(=O)C2=CC=C(C=C2)OC)C)[N+](=O)[O-] 1 1.718 5 4 0 -13.8288799138059 839889 CCSC1=NC(=S)N(C(=C1C(=O)C)C)CC2=CC=CC=C2 1 4.22 2 1 -7.47651594697951 839888 CC1=C(C(=NC(=O)N1C2=CC=CC=C2)N3CCOCC3)C(=O)C 1 1.129 3 3 0 -5.4964859673199 839881 CC1=C(C(=NC(=S)N1CC2=CC=CC=C2)SC)C(=O)C 1 3.871 2 1 -5.70092182598284 839878 CC1=CC=C(C=C1)C=NN2C(=NN=N2)N 1 1.066 6 0 0 -4.39305311623434 839868 CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)O)C)[N+](=O)[O-] 1 2.015 3 4 0 -5.92462951347466 839845 CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C 1 2.912 1 2 -4.524801336692 839823 C1=CC=NC(=C1)NC(=O)/C=C/C2=CC=CO2 1 1.866 2 2 0 -3.86679769724953 839821 C1=CC(=CN=C1)NC(=O)/C=C/C2=CC=CO2 1 1.327 2 2 0 -5.00620286899882 839812 C1=CSC(=N1)NC(=O)C2=CC=C(O2)Br 1 1.575 2 2 0 -6.45516814061471 839788 C1=CSC(=C1)/C=C/2\C(=O)NN(C2=O)C3=CC=C(C=C3)F 1 2.41 2 2 -0.705584576732746 839786 CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=CC=CC=C4C3=O 1 4.084 1 2 -0.153104042888683 839769 CCCC(=O)NC1=CC2=C(C=C1)C(=O)OC2 1 1.682 1 3 0 -13.0394235222352 839760 COC1=CC(=C(C=C1/C=C/2\C(=O)NC(=S)N2)OC)N3CCCC3 1 2.42 3 3 -8.6502851262505 839741 CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=NNC(=O)C 1 2.934 3 1 -3.31333443452037 839740 CC1=C(SC=C1)C=NNC(=O)CSCC2=CC=C(C=C2)Cl 1 4.187 2 1 -7.24345722193131 839736 CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)C=NNC(=S)N)C 1 3.939 4 0 -3.97700553172885 839735 C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)NN=CC4=CC=CC=C4F 1 4.392 2 2 6.31728618294919e-002 839722 COC1=CC=CC=C1C=NNC(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43 1 4.17 2 3 -1.24983074892414 839714 CC1=C(C(=CC=C1)NC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=N)C 1 3.655 2 3 -3.81376034281022 839699 COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NC3=CC=CC=C3Cl 1 3.347 2 3 -4.81935534329013 839689 C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=C(OC4=CC(=O)C=CC4=C3)N 1 1.767 3 3 0 -0.656169316765039 839651 COC(=O)NNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 1 2.379 2 3 -11.2573414760759 839630 CC(C)OC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.54 3 5 0 -14.0879438887244 839628 CCOC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.162 3 5 0 -14.0137628478997 839627 CC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CN=CC=C2 1 1.042 3 3 0 -10.3934915614267 839617 CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N 1 2.854 3 2 -12.5635832446914 839616 C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3 1 1.624 3 3 0 -9.27416817125138 839598 C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)O 1 3.192 2 3 -7.00771747316802 839597 CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)NC(=O)CC4=CC=CS4 1 4.529 3 1 -1.39137715620949 839576 CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)CC4=CC=CS4 1 4.539 2 2 0.28844530770139 839555 CN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)NC2=O)C 1 3.025 4 2 -9.99712108037446 839551 COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSC2=CC=CC=C2)OC 1 2.605 1 5 -13.1737412434445 839550 CCC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=NC=C2 1 3.156 2 2 -5.0512738574379 839544 CC1=C(C=CC=C1NC(=O)C2=C(N=CC=C2)C(=O)O)C(=O)O 1 1.638 2 5 0 -8.20333600966082 839541 C1=CC(=CC=C1CC(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)Cl 1 3.608 1 3 -6.64154356673451 839538 CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 2.534 2 4 -8.61021610909866 839536 CC(C)(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CO3 1 1.767 2 4 0 -16.332684548982 839526 COC1=C(C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)O)Cl)Cl 1 3.556 1 4 -3.52018184463713 839523 CC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=CC=C2 1 3.835 2 1 -11.2643933203066 839513 CC(C)CC(=O)NC1=CC=C(C=C1)C2=NC(=O)C3=CC=CC=C3N2 1 2.988 3 2 -12.7448697655764 839503 C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O 1 2.122 2 4 -10.0117194063438 839501 CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CO3 1 2.027 2 4 -13.969675964447 839498 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCC(=O)O 1 2.363 2 3 -9.24003541397605 839493 CC1=CC(=C(C=C1)O)NC(=O)CSC2=CC=C(C=C2)Cl 1 3.916 1 2 0.259866766459006 839492 CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC=C(C=C2)Cl)C 1 3.343 2 2 -0.930900285250302 839489 CC1=CC(=C(C=C1C(C)C)S(=O)(=O)N2C=CN=C2)OC 1 2.738 2 3 -5.71592381045081 839485 CC1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C 1 1.39 2 2 0 -11.0270779547045 839484 CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CO3 1 2.416 2 4 -17.4455976957819 839482 CCC1=NC(=CN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C 1 2.843 3 4 0 -6.17799958878642 839475 CC(C)C1=NC=CN1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 2.359 3 4 0 -10.014018238468 839474 C1=CC=NC(=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 1.865 3 3 0 -11.6880021812327 839472 CCC1=NC=CN1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] 1 1.896 3 4 0 -8.0381260732242 839470 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)C(=O)O)Cl 1 3.727 1 4 -7.96038366966039 839468 C1=CC(=C(C=C1S(=O)(=O)NC2=CC=NC=C2)Cl)Cl 1 2.495 2 2 -1.06608505134704 839463 CC(=O)OC1=CC(=C(C=C1)NC(=O)CCC2CCCCC2)C(=O)O 1 3.176 1 5 -16.304330798491 839457 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)Cl 1 3.241 1 4 -7.50747734298477 839455 CC1=CC(=C(C=C1)OC)S(=O)(=O)N2C(=CC(=N2)C)C 1 2.529 2 3 -9.79115607494448 839447 C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)CCC(=O)O 1 2.199 1 4 -11.0870838791749 839446 CC1=CC(=C(C=C1)O)NC(=O)CC2=CC(=C(C=C2)OC)OC 1 2.86 1 4 -5.98373129096116 839436 CC1=CC=C(C=C1)C(=O)NC2=CNC(=O)NC2=O 1 -3.7e-002 3 3 0 -13.5700892398532 839431 CC(C)C(=O)NC1=CC2=C(C=C1)C(=O)NC2=O 1 0.906 2 3 0 -13.2038185524858 839425 CCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC 1 1.397 4 3 0 -17.7197522635729 839422 CC(C)(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCCCC3 1 2.86 2 3 -20.0782749648986 839420 CC1=CC=CC=C1OCC(=O)NC2=NOC(=C2)C 1 2.074 2 3 -13.6606324794357 839419 COC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N3CCCCCC3 1 3.212 1 3 -10.9206839819731 839416 CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)O 1 1.625 2 5 0 -11.4271099507361 839406 COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O 1 2.927 1 4 -4.56505705499671 839401 CCC(=O)NC1=CC=CC(=C1)C2=NN=C(O2)C3=CC=CC=C3 1 2.841 3 2 0.672198056624975 839399 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC=CC(=C3)[N+](=O)[O-] 1 1.721 3 4 0 -5.60289198482455 839390 C1=CN=CC=C1NS(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl 1 3.16 2 2 1.10363557044109 839382 COC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC=C2 1 2.87 1 3 -12.8000840282096 839372 CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC2=CN=CC=C2 1 2.982 2 2 0.877323369679801 839370 COC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)N=CC=C3 1 1.594 3 5 0 -6.18274920446731 839359 CC1=CC(=C(C=C1)OCC2=NN=C(S2)NC(=O)OCC(C)C)C 1 3.992 3 3 -9.11025517737472 839358 COC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2=CC=CC=C2OC 1 2.949 1 4 -4.46547131860218 839351 COC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2=NC=C(C=C2)Cl 1 3.018 2 3 -2.96644525354604 839325 CC1=C(C(=CC=C1)C)CC(=O)N2CCOCC2 1 1.938 1 2 0 -9.92771337951154 839324 COC1=CC=C(C=C1)OC2=NN=NN2C3=CC=CC=C3 1 2.802 4 2 -5.52958520955365 839323 C1COCCN1C(=O)CC2=CC(=CC=C2)F 1 1.172 1 2 0 -7.46506418201463 839302 CC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)[N+](=O)[O-] 1 2.948 2 3 -7.43184024353324 839280 COC1=CC2=C(C(=C1)[N+](=O)[O-])N=CS2 1 1.791 2 3 0 -5.84165881609721 839279 CC1=C2C=C(C(=O)C(=CC2=C(N1)C)C(=O)OC)C(=O)OC 1 1.346 1 5 0 -3.9531692016486 839273 COC1=CC=CC2=C1NN=CC2=O 1 1.38 2 2 0 -5.09337080795424 839263 CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CO 1 3.362 1 3 -2.45256151974802 839259 CC1=CC=C(C=C1)NC(=O)CCC(=O)NC 1 0.86 2 2 0 -9.01370930132172 839256 C1CN(C=CC1=O)C(=O)OC2=CC=CC=C2 1 1.464 1 3 0 -4.88703351543429 839241 CC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2 1 3.069 1 1 -3.56013141381327 839240 C1COCCN1C2=CC=C(O2)/C=C(/C#N)\C(=O)N3CCOCC3 1 0.608 3 4 0 -12.2474270598751 839237 C1COCCN1C2=CC=C(O2)/C=C(\C#N)/C(=O)N3CCOCC3 1 0.608 3 4 0 -12.2474270598751 839216 COC1=CC(=C(C=C1C2SCCCS2)OC)OC 1 3.024 0 3 -7.5831640401197 839209 CCC1=NN(C(=C1)C2=NNC(=S)N2N)C 1 1.295 6 0 0 -11.0782806276304 839208 CCC1=NN(C(=C1Cl)C2=NNC(=S)N2N)C 1 1.959 6 0 0 -6.70156134132162 839142 C1CN(CCN1C(=O)CSCC2=CC=CC=C2)C(=O)C3=CC=CO3 1 1.92 2 3 0 -12.0596618247136 839135 C1=CC(=C(C(=C1)Cl)CC(=O)NCC2=CN=CC=C2)F 1 2.375 2 1 -13.5029880731278 839126 COC1=CC(=C(C=C1)NC(=O)CC2=C(C=CC=C2Cl)F)OC 1 3.486 1 3 -11.4322823977251 839123 CCOC1=CC=CC=C1NC(=O)CC2=C(C=CC=C2Cl)F 1 3.851 1 2 -11.285963816504 839099 C1CN(CCN1C(=O)CSC2=CC=CC=C2)C(=O)C3=CC=CO3 1 1.913 2 3 0 -7.71094689982342 839083 CC1=NC(=NC=C1)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3 1 3.414 3 1 -12.990282210983 839075 C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=C(S2)N 1 1.941 4 1 0 -10.1575387748199 838959 COC1=CC=C(C=C1)NC(=O)C2(CCCC2)C3=CC=CC=C3 1 4.053 1 2 -7.89326021498898 838958 CCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CCCC2)C3=CC=CC=C3 1 4.273 1 3 -11.9027009144019 838952 CC1=NC(=CS1)C2=CC(=C(C=C2)O)OC 1 2.234 1 2 6.7388824493493 838951 CCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)OC 1 4.817 2 2 -2.66338418134151 838942 CC1(CC2(CCO1)N3CC4(CN2CC(C3)(C4O)C)C)C 1 1.089 2 2 0 -5.32155517829225 838935 CC1=CC=C(C=C1)SC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl 1 4.155 2 1 2.95261316498487 838934 C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)SC3=CC=C(C=C3)N)Cl 1 2.922 3 1 3.65062103733612 838933 COC1=CC=C(C=C1)SC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl 1 3.652 2 2 2.53964695584073 838931 CC(C)(C)N1C(=O)C(=C(C=N1)OC2=CC=CC=C2[N+](=O)[O-])Cl 1 2.36 3 4 0 -4.62817350401064 838927 CC1=CC(=CC=C1)OC2=C(C(=O)N(N=C2)C(C)(C)C)Cl 1 2.951 2 2 1.1459447410275 838922 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)N3CCOCC3 1 1.304 3 2 0 -1.47921416744086 838918 C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=CC=C4C(=O)O 1 4.682 2 2 -0.701072753704365 838913 CN1C(=NNC1=S)CC2=CC(=C(C=C2)OC)Br 1 2.868 3 1 -6.95472934939771 838907 CC1=CC=C(C=C1)C(=O)CC(=O)C2=C(C=C(C=C2)OC)O 1 3.382 0 4 4.59206262092669 838905 CC(=O)C1=CC(=C(C=C1)OC)CC2=C(NC(=S)NC2=O)O 1 2.179 2 4 -11.1195002037432 838899 CC(C)OC1=CC=C(C=C1)CC2=C(NC(=S)N=C2)N 1 3.211 3 1 -3.63435087432427 838877 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=CC=N4 1 3.941 3 1 7.96371164515018 838871 CN1C(=O)CSC2=C1C=CC(=C2)OC 1 1.367 1 2 0 -3.58624985624567 838869 CCN1C(=O)C2=C(N=C1SCC)SC3=C2CCC3 1 3.647 2 1 -20.9543234361933 838861 COC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 3.776 1 4 -3.97269746297596 838859 C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C=NNC(=S)N 1 1.874 3 2 0 -0.131963136930267 838858 CC1=CC=C(O1)C(=O)NC2=CC=CC(=C2)C(=O)C 1 1.895 1 3 0 -4.51685567500315 838857 CCOC(=O)C1=CN=C2N(C1=O)C3=CC=CC=C3O2 1 1.589 2 4 0 -6.29559108742504 838854 C1=CC=C2C(=C1)NC(=O)C3=NN=C(N23)C4=CC=NC=C4 1 1.112 5 1 0 -3.65025553352483 838847 CC1=CC(=C(C=C1)O)C(=O)C2=CC3=C(C4=CC=CC=C4OC3)N=C2 1 4.011 1 3 4.44755458698848 838845 CC1=C(C=C(C(=O)N1)C(=O)C2=CC=CC=C2O)C(=O)O 1 0.902 1 5 0 -3.94236858037525 838842 CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)C3=CC=CC=C3 1 3.18 3 3 -0.275287765494709 838817 C1=CC=C(C=C1)CNC(=O)C2=CC3=NC=CN=C3C=C2 1 2.085 3 1 -7.22850242100348 838816 CCOC(=O)C1=CN=C2N(C1=O)C=CS2 1 4.5e-002 2 3 0 -12.3658874465052 838812 C=CCN(CC=C)S(=O)(=O)C1=CC2=NSN=C2C=C1 1 2.308 3 2 -10.8834131416389 838793 COC1=C(C=C(C=C1)/C=C/2\COC3=CC=CC=C3C2=O)OC 1 3.366 0 4 -1.73995392387732 838788 CC1=C(OC2=CC(=C(C=C12)C(=O)C)O)C(=O)C3=CC=CC=C3 1 3.813 0 4 2.45102061416257 838785 C1=CC=C(C=C1)C=NC2=CC(=CN=C2N)Br 1 2.816 3 0 3.83221493510304 838784 COC1=CC=C(C=C1)C=NC2=C(N=CC=C2)N 1 2.052 3 1 4.04727346600045 838775 C/C(=C/CSC1=NN2C(=O)C3=CC=CC=C3N=C2S1)/Cl 1 4.463 3 1 -9.59904907777327 838773 CCSC1=NN2C(=O)C3=CC=CC=C3N=C2S1 1 3.626 3 1 -9.93588624101294 838742 CC1=NN=C(S1)NC(=O)C2=CC=CC=C2F 1 1.554 3 1 0 -12.6204105994767 838737 C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)C3=CC=CS3 1 3.001 3 1 -12.6217801777713 838732 C1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)CC3=CC=CS3 1 2.837 3 2 -13.3522485703385 838730 CCCC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)OC 1 3.001 2 2 -5.10232202111779 838720 CCC(=O)NN=CC1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.785 3 4 0 -3.78096368678755 838719 CCN(CC)C(=O)C1=C2CCC3=CC=CC=C3C2=NC4=CC=CC=C41 1 4.675 2 1 -3.17459559781146 838701 C1=CC(=CC=C1[N+](=O)[O-])OCCN2C=NC=N2 1 1.322 4 3 0 -7.87948946635714 838692 C1=CC=C(C=C1)C(=O)N2C=CN(C2=S)C3=CC=CC=C3 1 3.546 2 1 -4.90314355463213 838691 CC1=CC=C(C=C1)N2C(=CN(C2=S)C(=O)C3=CC=CC=C3)C 1 4.546 2 1 -5.40213637216941 838690 CC1=CN(C(=S)N1C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 4.724 2 1 -3.39184108724878 838684 CC1=CC=C(C=C1)NC(=O)NC(=S)NC(=O)C2=CC=CC=C2 1 3.559 3 2 -5.93611782246779 838682 CC1=CC(=CC=C1)NC(=O)NC(=S)NC(=O)C2=CC=CC=C2 1 3.559 3 2 -4.14586649566344 838667 CC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C)OC 1 2.961 1 5 -11.5198943797679 838666 CC(C)NC(=O)CSCC1=C(C=CC=C1Cl)F 1 3.034 1 1 -18.4034187388554 838665 CCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2NS(=O)(=O)C 1 1.858 2 4 0 -13.8458796087289 838656 CC1=CC=CC=C1N(CC2=CC=CC=C2F)S(=O)(=O)C 1 3.222 1 2 -8.23627752006358 838654 C1=CC(=CC=C1CSCC(=O)N)Br 1 1.98 1 1 0 -6.91851198109164 838651 CS(=O)(=O)N(CC1=CC=CC=C1F)C2=CC=CC=C2 1 2.736 1 2 -5.71404539232494 838630 CC1=C(N(C(=NC(=O)C2=CC=CO2)S1)C)C3=CC=C(C=C3)F 1 3.574 2 2 -5.70366594454748 838627 CC1=C(N(C(=NC(=O)C2=CC=CO2)S1)C)C3=CC=CC=C3 1 3.368 2 2 -6.98745361285272 838623 CC1=C(N(C(=NC(=O)C2=CC=CO2)S1)C)C3=CC=C(C=C3)Cl 1 4.032 2 2 -4.59354427942591 838622 CC1=CC=C(C=C1)C2=C(SC(=NC(=O)C3=CC=CO3)N2C)C 1 3.854 2 2 -6.60383956434654 838620 CN1C(=NNC1=S)CSCC2=CC=CC=C2 1 2.502 3 0 -8.27453055556679 838619 CN1C(=NNC1=S)CSCC2=CC=C(C=C2)Cl 1 3.166 3 0 -5.63771696020038 838618 CN1C(=NNC1=S)CSCC2=CC(=C(C=C2)Cl)Cl 1 3.831 3 0 -6.13839029353367 838604 CN1C(=NN=C1SCC(=O)N2CCOCC2)CCC3=CC=CC=C3 1 1.852 4 2 0 -17.7372234422443 838570 CC1=CC(=NC(=N1)SC2=CC=C(O2)/C=C(\C#N)/C(=O)N)C 1 2.084 4 2 -12.7580587583981 838555 C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=NN3)C#N 1 2.358 5 1 -26.8449750529651 838554 C1=CC(=CC=C1CSC2=NC=NN2)C(=O)O 1 1.886 3 2 0 -11.7182896157472 838551 CC1=C(N=CC=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3 1 2.758 4 2 -18.2809731227157 838549 CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC(=CC=C2)F 1 1.795 2 3 0 -10.6039981608748 838548 CC1=CC(=CC(=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C)C 1 2.562 2 3 -12.6863735988106 838547 CC1=C(C=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C)C 1 2.562 2 3 -12.5455244146206 838546 COC1=CC=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 1.573 2 4 0 -12.7105758091246 838544 COC1=CC=CC(=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 1.573 2 4 0 -12.4512646409618 838542 COC1=CC=CC=C1NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C 1 1.573 2 4 0 -15.9977373445482 838528 C1CCN(C1)C(=S)C2=CC=CC=C2OCC3=CC=C(C=C3)F 1 4.901 1 1 -2.32797138086123 838522 COC1=CC=C(C=C1)CCCC(=O)NC2=CC=CC=C2F 1 3.751 1 2 -7.51380593437983 838516 CCCC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-] 1 2.623 3 2 -0.210068391875805 838514 COC1=CC=C(C=C1)CCCC(=O)NC2=CC=C(C=C2)F 1 3.751 1 2 -5.5470777619009 838494 C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)OC2=O 1 3.878 1 2 3.49264368423615 838487 CC1=CC=CC2=CC(=C(N=C12)C)C(=O)NN=CC3=CC=C(C=C3)N(C)C 1 3.8 4 1 -6.4652553814757 838484 CC1=CC=CC2=CC(=C(N=C12)C)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.532 4 3 0 -6.7086656985341 838477 CC1=NC2=CC=CC=C2C=C1C(=O)NN=CC3=CC=C(C=C3)NC(=O)C 1 2.272 4 2 -6.29968630519268 838466 CC1=NC2=CC=CC=C2C=C1C(=O)NN=CC3=CC=CS3 1 3.105 3 1 -3.91121947518017 838465 CC1=NC2=CC=CC=C2C=C1C(=O)NN=CC3=CC=CO3 1 2.547 3 2 -2.91116441972321 838463 CC1=NC2=CC=CC=C2C=C1C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.046 4 3 0 -5.04725930584841 838461 CC1=NC2=CC=CC=C2C=C1C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.046 4 3 0 -4.56333330518923 838450 CC1=CC=CC2=CC(=C(N=C12)C)C(=O)NN=CC3=CN=CC=C3 1 2.487 4 1 -3.88694671132615 838449 CC1=CC=CC2=CC(=C(N=C12)C)C(=O)NN=CC3=CC=C(C=C3)C(=O)O 1 3.268 3 3 -5.76929671960312 838444 CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NN=CC3=CC=CS3 1 3.591 3 1 -2.80446128132813 838442 CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NN=CC3=CC=CO3 1 3.033 3 2 -1.80440622587118 838384 CN1C2=CC=CC=C2SC1=NC3=CC=C(C=C3)OC 1 3.925 2 1 1.32854417652827 838385 CN1C2=CC=CC=C2SC1=NC3=CC=CC=C3OC 1 3.925 2 1 0.542033044171657 838386 CN1C2=CC=CC=C2SC1=NC3=CC=C(C=C3)N(C)C 1 4.103 3 0 -0.919775992940243 838389 CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)Br 1 3.917 1 1 -6.22572485084179 838395 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3C(=O)O2)N 1 2.394 2 2 -7.7764504868218 838440 CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] 1 3.532 4 3 0 -3.94050111199638 838438 CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NN=CC3=CC=CC=C3[N+](=O)[O-] 1 3.532 4 3 0 -2.8632865158311 838437 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=NNC(=O)CO 1 2.163 2 2 -0.98082978141634 838423 CC1=NC2=C(C=CC=C2Br)C(=C1)OC/C=C(\C)/Cl 1 4.216 1 1 0.539340639695758 838415 CC1=CC=C(C=C1)S(=O)(=O)N(C#N)C2=NC(=NC(=N2)OC)N(C)C 1 2.146 6 3 0 -9.17600447919111 838383 CN(C)NC(=S)NC1=CC=C(C=C1)Cl 1 2.819 3 0 -3.59392096654761 838382 CC(=NNC(=S)N)C1=CC(=C(C(=C1)OC)OC)OC 1 1.731 3 3 0 -7.08389663628583 838375 C1=CC=C(C=C1)CNC(=S)NCC2=CC=CC=C2 1 3.824 2 0 -6.33837547350125 838370 CN1C2=CC=CC=C2SC1=NC3=CC=CC=C3 1 3.941 2 0 0.876993915735329 838368 CCOC(=O)C1=C2C=CC=CN2C(=C1)C(=O)C 1 1.898 1 3 0 -6.09953459808024 838363 COC1=CC(=NC(=N1)S(=O)(=O)C)OC 1 1.143 2 4 0 -7.17486789531278 838350 CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CC=NC=C3 1 3.014 4 0 -0.968086757372888 838339 C1CCCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)Br 1 4.438 2 0 4.0261718314919 838338 CC1=C(C=CC(=C1)NC(=O)COC2=CC=CC=C2)Cl 1 3.6 1 2 -3.94456799903137 838334 CC1=C(SC(=C1C#N)C2=CC=CC=C2)C(=O)NN 1 2.468 3 1 -3.3011085237632 838333 CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N 1 3.05 1 2 -3.81056173514609 838327 C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)NN 1 2.017 3 1 0.814219388003632 838304 CC1=CC(=CC=C1)N(C(=O)NC2=CC(=CC=C2)Cl)O 1 3.686 2 2 0.780466293603575 838288 CCOC(=O)C1=C(SC2=C1C=CC=C2OC(=O)C)NC(=O)C 1 1.908 1 5 0 -6.06643384903296 838274 C1CCC(=C2C3=C(C=CC(=C3)Br)NC2=O)CC1 1 3.89 1 1 -6.42377663360905 838268 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=NN2CCCCC2 1 1.826 4 3 0 -5.45069813394178 838264 C1CCN(CC1)CCC(=O)NC2=CC=CC=C2 1 2.121 2 1 -3.58120647456457 838258 C1=CC=C(C=C1)C2=NC(=S)C3=CC=CC=C3N2 1 3.392 2 0 -3.95481253605172 838244 CC1=CC=C(S1)C=NN2C(=NNC2=S)C3=CC=CC=C3 1 3.846 4 0 -1.74570566324818 838230 COC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2)Cl 1 3.098 1 3 -5.61768387072896 838228 CCN(CC)C(=O)CSC1=NC2=CC=CC=C2O1 1 2.402 2 2 -11.3469810421604 838199 CC(C)CCNC(=O)C1=CC(=C(C=C1)Cl)N 1 2.536 2 1 -10.1581588265512 838194 CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)N 1 2.147 2 1 -7.0481459182982 838189 CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC=NC=C2 1 2.271 2 2 -7.18244127662611 838160 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3C 1 3.76 3 2 -8.99285736134091 838153 CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)C 1 3.76 3 2 -4.85861090627341 838123 C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC=C3)Br 1 3.148 1 3 -8.1444776989383 838110 C1CCC(C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3Cl 1 4.069 2 2 -2.87561673295376 838087 C1=CC=C(C=C1)CCCC(=O)NC2=C(N=CC=C2)Cl 1 3.284 2 1 -7.47480744630384 838086 CC1=CN=C(C=C1)NC(=O)CCCC2=CC=CC=C2 1 3.436 2 1 -8.91596063919665 838079 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=C(O3)[N+](=O)[O-] 1 2.937 2 4 -3.88234200310266 838048 C1=CSC(=C1)C=NNC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-] 1 3.03 3 4 0 -5.91338897376184 838042 C1CCC(=CC1)CCNC(=O)CCCC2=CC=CC=C2 1 4.312 1 1 -14.7392785911198 837993 COC1=CC(=C(C=C1C(=O)NCC2=CN=CC=C2)OC)OC 1 1.421 2 4 0 -14.486939628854 837977 COC1=CC(=C(C=C1C(=O)NC2=CC=CC3=CC=CC=C32)OC)OC 1 3.473 1 4 -9.44023209361829 837941 COC1=CC(=C(C=C1C(=O)NC2=CC3=CC=CC=C3C=C2)OC)OC 1 3.473 1 4 -6.62308832953068 837924 C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=CC=C3O 1 3.928 0 3 1.47452003597021 837903 COC1=CC(=C(C=C1C(=O)NC2=CN=CC=C2)OC)OC 1 1.414 2 4 0 -9.15093827443523 837896 C1CCC(CC1)C(=O)OC2=CC3=C(C=CC(=C3)O)C=C2 1 4.39 0 3 -1.0320204948021 837893 CC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)Br 1 3.752 2 0 2.39079792147005 837891 CC(C)C(=O)NC1=CC(=CC=C1)SC 1 2.621 1 1 -6.46274319980883 837888 CCOC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)SC 1 3.488 1 2 -3.12134890202655 837887 CCC(=O)NC1=CC(=CC=C1)SC 1 2.159 1 1 -1.59368760285185 837886 C1=CC=C(C(=C1)C(=O)OC2=CC3=C(C=CC(=C3)O)C=C2)Cl 1 4.592 0 3 7.97155548390598e-002 837882 CC1=CC=CC=C1C(=O)OC2=CC3=C(C=CC(=C3)O)C=C2 1 4.414 0 3 -1.97314603566099 837872 C1=CC=C(C(=C1)C(=O)OC2=CC3=C(C=CC(=C3)O)C=C2)F 1 4.133 0 3 -0.531692976463955 837868 CCCC1=CN=C(C=C1)C2=CC(=C(C=C2)F)N 1 3.483 2 0 2.54303395553046 837855 C1=CC=NC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.049 4 3 0 -9.21348998136578 837853 CC1=CC=CC(=C1)C(=O)OC2=CC3=C(C=CC(=C3)O)C=C2 1 4.414 0 3 -2.4122792159194 837844 CC1=CC(=CC(=C1)NC(=O)C2CCCC2)C 1 3.593 1 1 0.436625559541978 837838 COC1=CC=CC=C1C(=O)OC2=CC3=C(C=CC(=C3)O)C=C2 1 3.912 0 4 -1.23184688827966 837837 C1=CC=C2C(=C1)NC(=N2)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] 1 2.224 4 3 0 -8.98383303428774 837831 CCC(CC)C(=O)NC1=CC(=CC=C1)SC 1 3.534 1 1 -4.27687587903204 837710 COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.002 1 3 -6.48961687104673 837701 COC1=CC=CC(=C1)C(=O)OC2=CC3=C(C=CC(=C3)O)C=C2 1 3.912 0 4 -3.57052026430072 837592 CC1=CC(=NN1)C(=O)NN=C(C)C2=C(C=C(C=C2)OC)OC 1 1.649 4 3 0 -10.5019620521664 837551 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)F)C 1 4.166 2 1 -10.2016277498673 837550 CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)OC)C 1 3.944 2 2 -11.9869590225617 837541 CC1=CC=C(C=C1)OCC(=O)NN=CC2=CC=NC=C2 1 1.854 3 2 0 -5.15292312478323 837410 C[N+]1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)OC 1 2.074 2 3 -11.624837369953 837311 CCCC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2OCC 1 3.19 2 3 -17.0022322597323 837302 CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=CC=CS3 1 3.56 2 2 -7.99274580187147 837291 CC(=O)NC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=CC=C3 1 2.841 3 1 -1.77950153274355 837290 CC(=O)C1=CC2=C(C=C1NC(=O)CCC3CCCC3)OCO2 1 2.83 1 4 -14.1466847154658 837247 CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 1 3.483 1 2 -10.6635802290897 837238 CCS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 1 2.494 1 3 -5.89634844234434 837234 CCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.351 1 3 -8.45841413568897 837229 CCC(CC)C(=O)NC1=CC(=C(C=C1)C)O 1 3.236 1 2 -5.13037160717935 837226 CCC(CC)C(=O)NC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 1 4.396 1 2 -8.47771290831295 837225 COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.002 1 3 -8.07771592401143 837223 C1=CC2=C(C(=O)N=C2C=C1)NC3=CC=C(C=C3)Br 1 2.956 2 1 -2.39726319550905 837215 CCCC(=O)NC1=CC(=C(C=C1)C)O 1 2.317 1 2 -7.8694774656467 837212 CC1=C(C=C(C=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl)O 1 4.187 1 2 1.16497040558276 837207 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3 1 4.532 1 3 -10.2932414817163 837107 COCC(=O)NC1=CC2=C(C=C1)OCO2 1 0.454 1 4 0 -8.55236208800123 837089 CC1=C(N=CC=C1)NC(=O)C2CCC2 1 2.039 2 1 0.497117918176403 837064 C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NC3=CN=CC=C3 1 3.024 2 2 -3.00051446549904 837053 CC1=CC(=C(C=C1)C)OC(=O)C2=CC(=CN=C2)Br 1 3.832 1 2 -4.52307436126385 837046 CC1=CC=C(C=C1)N2CC3=CC=CC=C3C2=S 1 4.579 1 0 -1.21351956094311 837041 CCC1=CC(=C(C=C1)C)OC(=O)C2=CC(=CN=C2)Br 1 4.288 1 2 -4.96071645104261 837040 CC1=CC(=C(C=C1)OC(=O)C2=CC(=CN=C2)Br)C 1 3.832 1 2 -4.77520516538933 836955 CC1=C(C=C(C=C1)NCC(=O)N2C(=CC(=N2)C)C)C 1 2.989 3 1 -9.52464417652437 836941 CSC1=NN=C(S1)NC(=O)C2=CC=CO2 1 1.567 3 2 0 -10.6139934374908 836920 CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC=CC=C2C 1 3.776 1 2 -4.44179600728356 836901 C1=CC(=CN=C1)C(=O)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl 1 1.885 3 3 0 -8.98514547548009 836892 CC1=CC=C(C=C1)C2=NC(=O)NC3=C2C=C(C=C3)Br 1 4.255 2 1 -2.91909352582408 836888 CC1=C(C(=CC=C1)OC(=O)C2=CC=NC=C2)C 1 3.083 1 2 -3.0814555091293 836878 CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1C3=CC(=CC=C3)Cl 1 3.94 2 1 0.276341871965673 836877 CC1=C(C(=CC=C1)OC(=O)C2=CN=CC=C2)C 1 3.083 1 2 -4.80793854363379 836873 CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1C3=CC=CC=C3Cl 1 3.94 2 1 -1.23598704013738 836864 COC1=CC=CC=C1OC(=O)CC2=CC=CC3=CC=CC=C32 1 4.188 0 3 -5.10544858371743 836845 CC(C)(C)C1=C(C=CC(=C1)OC(=O)CC2=CC=CC=C2)O 1 4.455 0 3 -1.79699469827253 836835 CC(C)(C)C1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2F)O 1 4.625 0 3 -0.203964407538071 836825 CC(C)(C)C1=C(C=CC(=C1)OC(=O)C2=CC=NC=C2)O 1 3.269 1 3 -2.14865658333082 836824 CC1=CC(=C(C=C1)OC(=O)C2=CC=NC=C2)C 1 3.083 1 2 -4.17863635236674 836803 CC(C)(C)C1=C(C=CC(=C1)OC(=O)C2CCCC2)O 1 4.426 0 3 -0.349823411708136 836782 C1=CC(=CC(=C1)O)NC(=O)C2=CC=C(C=C2)C(F)(F)F 1 3.315 1 2 2.08289033140481 836767 CC(C)OC1=CC=C(C=C1)C(=O)NC2CCCCC2 1 3.606 1 2 -8.02846350749481 836756 CCS(=O)(=O)NC1=CC=CC(=C1)C(=O)O 1 0.719 1 4 0 -5.72392733366752 836753 CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2N=CC=C3 1 3.51 2 2 -7.95752053280661 836732 C1=CC=C(C=C1)N2C(=NN=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])O 1 3.036 5 3 0 -14.6857054627482 836723 CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2C(=O)C)OCO3 1 2.311 1 5 -9.46396087493076 836690 CC1=C(N=CC=C1)NC(=O)NC2=CC(=CC=C2)Cl 1 3.062 3 1 1.40659157695636e-002 836687 CC1=NC(=CC=C1)NC(=O)NC2=CC=C(C=C2)Cl 1 2.858 3 1 -7.78795313718822e-002 836683 CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3 1 2.608 1 4 -12.3244563704358 836682 COCC(=O)NC1=C(C=CC(=C1)Cl)C(F)(F)F 1 2.293 1 2 -1.94733247485162 836671 CC1=CN=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl 1 3.726 3 1 -2.94697976769894 836663 CC1=C(C(=CC=C1)C)OCC(=O)NC2=NOC(=C2)C 1 2.561 2 3 -16.1369627192865 836656 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC3=CC=CC=C3O 1 3.315 1 2 -1.09273567787992 836649 CCOC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)C(C)C 1 3.196 2 3 -16.6672930252489 836642 CCC(CC)C(=O)NC1=CC(=C(C=C1)Cl)Cl 1 4.321 1 1 -4.75926703505336 836640 CCC(CC)C(=O)NC1=CC(=CC(=C1)C)C 1 3.964 1 1 -6.84355364411493 836595 C1=CC=NC(=C1)N/C=C(\C=O)/C2=NC3=C(O2)C=CC(=C3)Cl 1 2.754 3 2 6.06408224255308 836590 C1CC(C1)C(=O)OC2=CC=C(C=C2)OC(=O)C3CCC3 1 3.793 0 4 -4.68135484103518 836589 CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2N=CC=C3 1 3.133 2 2 -7.52255160451597 836586 CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CC3 1 2.819 2 1 -1.7673754724891 836584 C1CCC(C1)C(=O)NC2=CC=CC3=C2N=CC=C3 1 2.806 2 1 -0.850284329206726 836564 CCOC1=CC=CC=C1C(=O)NC2=CC=CC=C2O 1 2.705 1 3 -3.13461880559496 836556 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CN=CC=C2 1 2.567 2 2 -0.368539404390512 836554 COC1=CC(=C(C=C1C(=O)CCC(=O)O)OC)OC 1 1.366 0 6 0 -10.4364378199795 836549 C1CCC(CC1)C(=O)OC2=CC=CC(=C2)O 1 3.482 0 3 -2.15240346585175 836546 CCOC1=CC=CC=C1C(=O)NC2=CC=CC3=C2N=CC=C3 1 3.133 2 2 -8.58776103840987 836535 C1=CC=C(C(=C1)CC(=O)NC2=CC=CC3=C2N=CC=C3)F 1 3.041 2 1 -9.97722796858723 836519 COC1=CC=CC=C1C(=O)NC2=CC=CC3=C2N=CC=C3 1 2.784 2 2 -8.20706282673233 836514 C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(O2)Br 1 2.207 1 4 -7.87281944261044 836507 C1=CC=C(C=C1)CCCC(=O)NC2=CC=CC=N2 1 2.95 2 1 -6.5959858495417 836502 CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC 1 1.798 2 2 0 -2.52514637293437 836501 CCOC(=O)C1=CC(=CC=C1)NC(=O)COC 1 0.891 1 4 0 -10.7632281051462 836498 CC1=C(C=C(C=C1)NC(=O)COC)Cl 1 1.837 1 2 0 -5.16393666883063 836491 CCOC(=O)C1=CC=CC=C1NC(=O)COC 1 0.891 1 4 0 -13.0876147866649 836485 CC1=CSC(=N1)NC(=O)C2CCCCC2 1 2.356 2 1 -1.26679684567283 836483 COC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)SC 1 3.14 1 2 -3.46656273898055 836479 CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC=CC=C2 1 2.859 1 2 2.51855438990546e-002 836460 CC1=CC(=CC=C1)OCC(=O)OC2=CC=C(C=C2)OC 1 3.567 0 4 -4.27796802465258 836449 CC1=CC(=C(C=C1)C)OCC(=O)NC2=NOC(=C2)C 1 2.561 2 3 -13.2146073227544 836435 CC1=CC(=C(C=C1)C)OCC(=O)OC2=CC=C(C=C2)OC 1 4.053 0 4 -4.61645552999135 836405 CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=C(C=CC=C3OC)OC 1 3.745 0 6 -9.39220138989183 836402 C1=CC2=C(C(=C1)NC(=O)CC3=CC=C(C=C3)F)N=CC=C2 1 3.041 2 1 -6.27794317077674 836382 COC1=CC=C(C=C1)OC(=O)CC2=CC=CC3=CC=CC=C32 1 4.188 0 3 -3.11431007891047 836363 COC1=CC(=C(C=C1)OC)NC(=O)CCCC2=CC=CC=C2 1 3.529 1 3 -9.32211390851574 836359 CC1=C(C(=CC=C1)NC(=O)CCCC2=CC=CC=C2)C 1 4.534 1 1 -5.75193843762035 836357 CC1=CC(=CC=C1)NC(=O)CCCC2=CC=CC=C2 1 4.048 1 1 -4.87055215619726 836348 C1=CC=C(C=C1)CCCC(=O)NCCC2=CC=CC=C2 1 3.89 1 1 -12.7735054434784 836347 C1=CC=C(C=C1)CCCC(=O)NCC2=CN=CC=C2 1 2.418 2 1 -14.5988359796824 836345 C1=CC=C(C=C1)CCCC(=O)NCC2=CC=CC=N2 1 2.633 2 1 -14.2165463897119 836344 C1=CC=C(C=C1)CCCC(=O)NCC2=CC=CC=C2 1 3.568 1 1 -13.0863987195761 836342 C1=CC=C(C=C1)CCCC(=O)NC2=CN=CC=C2 1 2.411 2 1 -7.35494185067219 836340 CC(=O)NC1=CC=C(C=C1)NC(=O)CCCC2=CC=CC=C2 1 2.682 2 2 -9.85072121975486 836334 CC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=CC=CS3 1 3.714 2 1 -4.31858566043053 836329 C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)C3=CN=CC=C3 1 3.543 1 4 -8.53262569898557 836327 CC1=CC=CC=C1C(=O)NC2=CC=CC=C2N3C=CC=C3 1 3.977 2 1 -8.97893144729418 836314 COC1=CC(=C(C=C1NC(=O)C2=CC=CO2)Cl)OC 1 2.641 1 4 -6.95501858464683 836309 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)O 1 1.839 2 5 0 -3.04699526260344 836298 COCC(=O)NC1=CC(=C(C=C1OC)OC)Cl 1 1.318 1 4 0 -9.40899497804996 836295 C1=CC=C2C(=C1)C(=NN=C2Cl)NN=CC3=CC=C(C=C3)Cl 1 4.179 4 0 -0.819374085037537 836294 COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2F)Cl)OC 1 3.451 1 3 -9.29871637482993 836286 COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)F)Cl)OC 1 3.451 1 3 -7.14899395736838 836275 C1CC2=C(C(=NO)C1)N=C(N2O)C3=CC=CC=C3F 1 0.609 3 2 0 0.524812797784418 836263 CC1=CC=C(C=C1)C(=O)NC2=NC=CC(=N2)C 1 2.125 3 1 -9.05706788156339 836241 CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2)C 1 3.587 1 1 -5.08820177255858 836232 CCSC1=NN=C(S1)NC(=O)C(C)C 1 1.986 3 1 0 -16.4596273134273 836227 CC1=NC(=NC=C1)NC(=O)C2=CC=C(C=C2)Br 1 2.388 3 1 -8.5034323417442 836206 CC1=C(C=CC=C1Cl)NC(=O)CC2=CC=CS2 1 3.753 1 1 -6.23068702162672 836204 C1=CC=NC(=C1)NC(=O)CC2=CC=CS2 1 1.991 2 1 0 -7.25339540628798 836197 CC1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=CC=C3 1 3.606 1 2 -7.46423737023813 836174 CC(C)CNC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2 1 4.004 1 1 -12.9631831774317 836165 C1=CC=C(C=C1)C(CC(=O)NC2=CC=C(C=C2)O)C3=CC=CC=C3 1 4.147 1 2 -6.40994010288744 836152 CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC3=CC=CC=C3 1 2.262 4 2 -8.40576179969828 836140 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)O 1 2.372 1 2 -2.40591834996161 836139 C1=CC(=CC=C1C2=CC(=C(C=C2)O)F)C(=O)O 1 2.941 0 3 6.30229727555504 836132 CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C 1 3.574 1 2 -3.34441938007336 836121 COC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CS2 1 4.171 2 2 -8.33435105269125 836113 C1=CC2=C(C(=C1)NC(=O)C3=CC=C(C=C3)Cl)N=CC=C2 1 3.465 2 1 -4.52136355307699 836078 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)O 1 2.858 1 2 -1.98691440501199 836073 C1=CC2=C(C(=C1)NC(=O)C3=CC=C(O3)Br)N=CC=C2 1 2.764 2 2 -6.75071982992568 836064 CC1=CC=CC(=C1)C(=O)NC2=C(N=CC=C2)Cl 1 2.823 2 1 -4.59048268467592 836058 COC1=C(C=C(C=C1)C(=O)NC2=C(N=CC=C2)Cl)OC 1 2.304 2 3 -9.64190968201554 835989 CCOC1=CC=CC=C1NC(=O)C2=CC=CC3=CC=CC=C32 1 3.855 1 2 -6.25033826671053 836019 CC(=NNC(=O)C1=CN=CC=C1)C2=CC=C(C=C2)Br 1 2.261 3 1 -8.48307098167233 836018 CC1=CN=C(C=C1)NC(=O)C2=CC=C(C=C2)F 1 2.694 2 1 -5.30293083060523 836014 C1OC2=C(O1)C=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl 1 2.882 1 4 -5.50024882465398 836006 C1=CC(=C(C=C1C(=O)NC2=CC=NC=C2)Cl)Cl 1 2.792 2 1 -3.18666532815444 835998 CC1=CC=CC=C1OCC(=O)NC2=CC(=CC=C2)SC 1 3.478 1 2 -2.28373506772517 835960 CC1=CC(=CC=C1)OCC(=O)NC2=NOC(=C2)C 1 2.074 2 3 -12.7854848540624 835942 COC1=CC=CC(=C1OC)C(=O)NC2=CC=CC3=C2N=CC=C3 1 2.768 2 3 -9.28436762740355 835938 CC1=CC=CC=C1S(=O)(=O)NCC2=CN=CC=C2 1 1.66 2 2 0 -6.63081123956752 835924 CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CN=C2)Br 1 2.416 2 3 -8.82614028612553 835923 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CN=C2)Br 1 2.416 2 3 -11.187200447386 835883 COC1=CC=C(C=C1)OC(=O)COC2=CC=C(C=C2)Cl 1 3.745 0 4 -3.67349667968589 835862 CN1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2 1 1.669 2 1 0 -2.20675235469798 835842 CC1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3)C 1 3.19 1 4 -6.36056575923312 835828 CCOC(=O)/C(=C/1\C2=CC=CC=C2C(=O)O1)/C(=O)C 1 1.498 0 5 0 -3.11777476084109 835819 C1CCC(=CC1)CCNC(=O)COC2=CC=C(C=C2)Cl 1 3.865 1 2 -9.38390113417062 835785 CC1=NC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)Br 1 2.858 2 2 -1.62320649435653 835773 CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] 1 2.819 2 4 -11.0607413687775 835760 C1=CC=C(C=C1)CNC(=O)C2=CC(=CN=C2)Br 1 2.219 2 1 -7.41511797960317 835712 C1=CC=C2C(=C1)C(=O)N(C=N2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] 1 3.091 3 3 -2.86775435308607 835709 CC1(CC(=CC(N1)(C)C)C2=CC=C(S2)C=O)C 1 3.039 1 1 -6.13459113739779 835705 CC1=C(C(=CC=C1)C)NC(=O)C2=NC=CN=C2 1 1.714 3 1 0 -8.53219426876744 835702 CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)F 1 3.024 1 3 -10.7900559214277 835688 CC(C)CC(=O)NC1=CC2=C(C=C1)OCO2 1 2.093 1 3 -10.6260542005141 835664 C1CCC(CC1)NC(=O)CCC2CCCC2 1 3.603 1 1 -11.4875154412043 835642 CC(C)CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC 1 2.18 1 4 -11.7112987474772 835634 C1CCC(C1)C(=O)NCC2=CC=CC=C2 1 2.627 1 1 -7.16620184941763 835624 COC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)F)Cl)OC 1 3.451 1 3 -7.17617577376592 835600 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F 1 4.224 1 2 -4.98190754699163 835563 C1=CC(=C(C=C1NC(=O)C2=CC=NC=C2)Cl)Cl 1 2.792 2 1 -3.23926853384541 835562 C1=CC(=C(C(=C1)Cl)Cl)NC(=O)C2=CC=NC=C2 1 2.792 2 1 -4.85608241053575 835559 COC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3 1 2.201 1 5 -7.8804902955845 835539 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3 1 3.204 2 1 -6.14056762409235 835516 CC(=O)NC1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)F 1 1.975 2 2 0 -7.07882825949786 835510 C1CN\2CCC1C(=O)/C2=C\C3=C(C=C(C=C3)Cl)Cl 1 3.434 1 1 4.89323674230118 835456 C1=CC=C2C(=C1)C=CC=C2CC(=O)NC3=CC=CC=C3Br 1 4.306 1 1 -5.70810506605696 835423 CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 5.169 1 2 -5.22464170002821 835421 CC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3 1 5.169 1 2 -4.83927204991899 835414 CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2C 1 3.305 1 3 -12.0155096296129 835411 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2N=CC=C3)C 1 3.773 2 1 -6.26665014203027 835408 CC(C)CCNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 1 4.137 1 1 -7.69020640417068 835401 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC3=CC=CC=C3C=C2 1 3.473 1 4 -6.00630851919413 835400 CC1=CC(=C(C=C1)C)OC(=O)C2=CN=CC=C2 1 3.083 1 2 -5.55559435622098 835395 COC1=CC=C(C=C1)NC(=O)CC2=CC=CC3=CC=CC=C32 1 3.541 1 2 -4.47241724528206 835394 COC1=CC(=CC(=C1)C(=O)NC2=CC=CC3=C2N=CC=C3)OC 1 2.768 2 3 -9.12632269677933 835318 C1=CC(=CN=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl 1 1.831 2 2 0 -1.124674862915 835354 CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OC 1 1.718 2 3 0 -8.19535528656747 835353 CCOC(=O)C1=CC=C(C=C1)NC(=O)COC 1 0.891 1 4 0 -9.94715648266138 835337 COC1=CC=CC(=C1)C(=O)NC2=CC3=CC=CC=C3C=C2 1 3.506 1 2 -3.17172597258025 835330 COC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2 1 2.598 1 2 -5.25948591471235 835302 CCC(CC)C(=O)NC1=C(C=CC(=C1)Cl)C 1 4.142 1 1 -5.16585760122061 835301 CCCC(=O)NC1=C(C=CC(=C1)Cl)C 1 3.224 1 1 -8.69375938385914 835283 C1=CC=C(C=C1)NC(=O)NNC(=O)C2=CN=CC=C2 1 0.629 4 2 0 -7.53376010605268 835273 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2 1 2.301 1 3 -1.63329713712438 835272 CC(=NNC(=O)C1=CC=NC=C1)C2=CC(=C(C=C2)OC)[N+](=O)[O-] 1 1.391 4 4 0 -11.8889830362164 835267 CC1=CN=C(C=C1)NC(=O)C2=CC=CO2 1 1.884 2 2 0 -5.10895545788368 835242 CCC1(C(=O)NC(=S)NC1=O)CCCC(=O)C2=CC=C(C=C2)F 1 3.258 2 3 -6.24209600006621 835230 CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)S(=O)(=O)C 1 0.92 2 4 0 -15.9444165798592 835227 CC1=C(C(=C(C(=N1)OCC(=O)O)C#N)COC)Br 1 1.397 2 4 0 -10.6870977993708 835207 CC1=CC=C(C=C1)OCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] 1 2.419 3 5 0 -4.61605859869527 835198 COC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CC=C)C=O 1 3.777 0 5 -11.1273277583799 835197 CC1=CC(=CC=C1)N(CC(=O)NC2=CC=CC=C2F)S(=O)(=O)C 1 2.275 2 3 -13.3470399669254 835193 CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)N)C 1 3.398 4 0 4.14141455626585 835187 CCC1=CN=C(C=C1)C(=O)NN=CC2=C(C=C(C=C2)Cl)Cl 1 4.232 3 1 -3.63467899150147 835183 C1CCC(C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 1.027 2 4 0 -6.46868195115776 835182 CC1=CC=C(C=C1)N(CC2=CC=CC=C2O)C(=O)C3=CC=CC=C3F 1 4.853 1 2 0.941174449759784 835181 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC=CC=C3O 1 1.208 2 5 0 -1.3026986534798 835173 C1=CC(=CC(=C1)N2C=CC=C2/C=C/[N+](=O)[O-])C(=O)O 1 2.607 2 4 5.12347126661571 835162 CC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3F 1 3.54 3 2 -11.5544170138231 835145 CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CN=CC=C2 1 2.948 3 2 -10.0716680593025 835144 CC1=CC=C(N1C2=C(C=CC(=C2)Cl)OC)C 1 3.645 1 1 -1.5662172468842 835138 CC(C)(C)NC(=O)CN1N=C(N=N1)C2=CC=CC=C2Cl 1 2.16 5 1 -7.32891585925736 835134 C1COCCN1CCNC(=O)C2=CC=C(C=C2)F 1 1.07 2 2 0 -8.48554866501229 835084 COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CN=CC=C2 1 2.599 3 2 -9.95067108438021 835079 CC1=C(SC2=NC=NC(=C12)NC3=CC=CC=C3)C 1 3.833 3 0 0.925795623291221 835076 CN1C(=CC=N1)C(=O)NN=CC2=CC=C(C=C2)N(C)C 1 1.786 5 1 0 -13.3909936066096 835064 CCCC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O 1 2.502 3 3 -17.1465375188851 835033 CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CN=CC=C2 1 2.948 3 2 -11.0497737540526 835028 CC(C)C1=CC(=CC(=C1O)C(C)C)NC(=O)C 1 3.096 1 2 -2.60838567490547 835019 COC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 3.612 2 3 -6.69626390555728 834990 CCOC1=CC=CC(=C1)C(=O)NC(=S)NCC2=CN=CC=C2 1 2.676 3 2 -13.7765608100991 834970 C1=CC=C(C(=C1)COC2=CC=CC(=C2)C=NN3C(=NN=N3)N)Cl 1 2.812 6 1 0 -4.37827130201655 834967 C1=CC=C(C(=C1)C=NN2C(=NN=N2)N)OCC3=CC=C(C=C3)Cl 1 2.812 6 1 0 -0.940763137525398 834948 C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC=CC=C3 1 2.451 2 3 -7.18869073158441 834945 C1=CC(=CN=C1)C(=O)NN=CC2=C(C=CC(=C2)O)Br 1 2.039 3 2 -3.2285035881869 834938 CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C 1 4.039 3 2 -11.6324323768386 834928 C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-])F 1 4.071 3 3 -12.0854363320188 834922 C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 4.325 3 3 -9.51097816918892 834866 COC1=CC=C(C=C1)CCCC2=NNC(=S)O2 1 3.474 2 2 -3.51445171071374 834865 C1=CC=C2C=C(C=CC2=C1)OCC3=NNC(=S)O3 1 3.287 2 2 -2.0013216996324 834844 CC(C)CC(=O)/C=C/N1C2=CC=CC=C2OC1=S 1 4.17 1 2 3.23873049005553 834827 COC1=CC(=CC(=C1O)CC=C)/C=C/2\C(=O)NC(=S)N2 1 2.579 2 3 -11.3969941929716 834808 CC1=CC(=NC2=NC(=NN12)SCC(=O)NN=CC3=CC=CC=N3)C 1 1.851 7 1 0 -13.2038515999092 834802 CC1=CC(=C(C(=C1S(=O)(=O)NOCC2=CC=CC=C2)C)C)OC 1 3.612 1 4 0.954693764438061 834799 CC(C)CC12CN3CCN(C1)CC(C3)C2=NO 1 1.331 3 1 0 -2.4569055740895 834797 C1=CC=C(C=C1)CCNC(=O)C2=CC=NC=C2 1 1.792 2 1 0 -7.83491261685462 834793 C1=CC(=CN=C1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] 1 1.826 3 3 0 -6.33861171436914 834788 CCC12CN3CCN(C1)CC(C3)C2=NO 1 0.623 3 1 0 -3.16654203217061 834781 COC1=CC=CC=C1CNC2=CN=CN=C2 1 1.427 3 1 0 0.537052679099248 834750 COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] 1 2.364 2 5 0 -11.2281859077632 834727 COC1=C(C(=CC(=C1)C(=O)O)Br)OC2CCCC2 1 3.577 0 4 -3.37355832788291 834720 CSC1=CC=C(C=C1)CNC2=CC=CC3=CC=CC=C32 1 4.672 1 0 4.0066740831904 834713 CCOC1=C(C2=CC=CC=C2C=C1)CNC3=NN=NN3C 1 1.842 5 1 0 -10.6409058895529 834710 CCN1C(=NN=N1)NCC2=C(C=CC3=CC=CC=C32)OC 1 1.842 5 1 0 -13.3316166703929 834708 CCCN1C(=NN=N1)NCC2=CC=C(C=C2)N3CCCC3 1 2.097 6 0 -15.578723958311 834702 CCCN1C(=NN=N1)NCC2=CC=C(C=C2)N(CC)CC 1 2.334 6 0 -21.170274380541 834689 CCN1C(=NN=N1)NCC2=C(C=CC3=CC=CC=C32)OCC 1 2.191 5 1 -14.9916620909426 834673 C1=CC2=C(C(=C1)NC(=O)C3=C(C=C(C=C3)C#N)F)N=CC=C2 1 2.885 3 1 -7.58218772283207 834672 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C3=C(C=C(C=C3)C#N)F 1 2.885 3 1 -7.04671935611033 834669 CC1=CC=CC=C1COC2=C(C=C(C=C2)CNC3=NC=NN3)OC 1 3.088 4 2 -8.80289871026813 834667 CC1=CC(=CC=C1)COC2=C(C=C(C=C2)CNC3=NC=NN3)OC 1 3.088 4 2 -6.837682819586 834663 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CC=N3)Cl 1 3.797 2 2 -7.49199268263537 834660 CC(=O)NC1=CC2=C(C=C1)N=C(S2)NCC3=CC(=CC=C3)OC 1 2.479 3 2 -2.09319832303677 834650 CC1=CC(N(C2=CC=CC=C12)C(=O)CCl)(C)C 1 2.939 1 1 -4.40381195271817 834644 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=CC4=C3N=CC=C4 1 2.586 2 3 -10.0859020557971 834609 C1CCN(CC1)CC2=NC3=CC=CC=C3N2 1 2.529 3 0 2.88042155641996 834605 CC1=CC=CC=C1CNC2=NN=NN2C 1 1.087 5 0 0 -12.3065816232059 834598 CC1=CC=C(C=C1)NCC2=CC=CC=C2F 1 3.913 1 0 -1.16043042236243 834594 CN1C(=NN=N1)NCC2=CC(=CC=C2)Cl 1 1.266 5 0 0 -9.6431625383975 834592 CSC1=CC=C(C=C1)CNC2=CC=CC=C2 1 3.764 1 0 1.71390788021977 834590 C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)N 1 2.955 3 1 3.95865201156853 834588 C1=CC=C(C(=C1)CNC2=CC=C(C=C2)Cl)F 1 4.092 1 0 0.661568268224392 834587 CN1C(=NN=N1)NCC2=CC=C(C=C2)SC 1 1.143 5 0 0 -9.56079020104398 834583 CCN1C(=NN=N1)NCC2=CC(=CC=C2)Cl 1 1.614 5 0 0 -14.2122180429943 834582 CC1=CC=C(C=C1)NCC2=CC=C(C=C2)SC 1 4.25 1 0 1.87056201859312 834578 CCN1C(=NN=N1)NCC2=CC=C(C=C2)SC 1 1.492 5 0 0 -14.1298457056408 834562 C1=CC=C(C(=C1)CNC2=CC(=C(C=C2)F)Cl)F 1 4.297 1 0 0.991481088327727 834558 CN1C(=NN=N1)NCC2=CC(=C(C=C2)Cl)Cl 1 1.93 5 0 0 -10.0810587990175 834557 CN1C(=NN=N1)NCC2=C(C(=CC=C2)Cl)Cl 1 1.93 5 0 0 -10.4975753140995 834556 CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)SC)C 1 4.736 1 0 2.46163357867239 834555 CSC1=CC=C(C=C1)CNC2=CC=C(C=C2)Cl 1 4.428 1 0 3.69256070917994 834553 CCCN1C(=NN=N1)NCC2=CC=C(C=C2)SC 1 2.016 5 0 -14.2287845034071 834552 CCOC1=C(C=CC=C1OC)CNC2=NN=NN2C 1 0.917 5 2 0 -15.6921600739634 834548 C1=CC(=CC(=C1)F)C(=O)NC2=CC=CC3=C2C=CC=N3 1 3.006 2 1 -5.40712789783214 834546 C1=CC=C(C(=C1)CNC2=CC(=CC(=C2)Cl)Cl)F 1 4.756 1 0 1.07065196230315 834545 C1=CC=C(C(=C1)CNC2=CC(=C(C=C2)Cl)Cl)F 1 4.756 1 0 1.29864464557038 834540 CN1C(=NN=N1)NCC2=C(C=CC3=CC=CC=C32)OC 1 1.493 5 1 0 -8.76256116579608 834537 CCN1C(=NN=N1)NCC2=CC=C(C=C2)N3CCCC3 1 1.573 6 0 0 -15.4797851605448 834534 C1=CSC(=C1)CNCC2=CC(=C(C=C2)Cl)Cl 1 4.019 1 0 2.43304053687417 834526 COC1=CC2=C(C=C1)N=C(S2)NCC3=CN=CC=C3 1 2.208 3 1 -0.604834979839051 834491 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 1.179 3 4 0 -15.3613659859277 834487 CCC(=O)NC1=CC=C(C=C1)NCC2=CC=C(C=C2)C3=CC=CC=C3 1 4.527 2 1 -2.09230496798996 834486 CC(=O)NC1=CC=C(C=C1)NCC2=CC=C(C=C2)C3=CC=CC=C3 1 3.861 2 1 -2.15870551174803 834482 CC1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl)C 1 3.397 4 1 -4.04160667022872 834481 CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 2.911 4 1 -1.22973746380546 834480 CN(C1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 2.631 4 1 0.34270689566036 834475 C1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 2.432 4 1 -5.4544084637403 834474 C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 2.707 4 1 -3.72487691359436 834473 C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 2.425 4 1 -1.38639160217881 834470 CC1=CC(=NC=C1)NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 2.3 5 1 -0.238659942326875 834466 C1=CC=NC(=C1)CNC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 1.496 5 1 0 -6.84434715240847 834465 COC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl 1 2.415 4 2 -5.05255976810485 834461 CC(C)NC(=O)C1=C(C=CC(=C1)N2C=NN=C2)Cl 1 1.575 4 1 0 -8.19230676676496 834458 COC1=CC=CC(=C1OC)CNC2=CC=C(C=C2)S(=O)(=O)N 1 1.894 2 4 0 -7.98613423576528 834457 C1=CC(=C(C(=C1)Cl)CNC2=CC=C(C=C2)S(=O)(=O)N)F 1 2.797 2 2 -8.23311145718311 834436 COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CN=CC=C3 1 1.627 3 4 0 -10.803263490838 834435 COC1=C(C=C2C(=C1)SC(=N2)NC(=O)C3=CC=CO3)Cl 1 3.283 2 3 -4.63907965297853 834429 COC1=C(C=C(C=C1)CNC2=NC(=NN2)SC)OC 1 2.081 4 2 -4.24492253502962 834427 CSC1=NNC(=N1)NCC2=CC=C(C=C2)Cl 1 2.778 4 0 2.29195679547392 834426 CC1=CC=C(C=C1)CNC2=NC(=NN2)SC 1 2.6 4 0 0.4699581048871 834424 CSC1=NNC(=N1)NCC2=CC=CC=C2 1 2.114 4 0 -0.344856799892497 834422 CC1=CC=C(S1)CNC2=NC3=CC=CC=C3S2 1 3.26 2 0 5.9263412418004 834418 C1=CC(=CC=C1CNCC2=CC=C(C=C2)Br)F 1 3.905 1 0 3.59149306472442 834412 COC1=CC=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)N 1 1.911 2 3 0 -6.82936722777447 834406 C1=CC(=CC(=C1)Br)CNCC2=CC=C(C=C2)F 1 3.905 1 0 3.55340423072698 834405 C1=CC(=CC(=C1)Br)CNCC2=CC=NC=C2 1 2.549 2 0 2.3175227544857 834403 COC1=C(C=CC(=C1)CNCC2=CC=NC=C2)OCC(=O)N 1 0.621 3 3 0 -8.02025787638623 834395 CCC1=CC=C(C=C1)CNCC2=CC=C(C=C2)F 1 4.099 1 0 2.57001600535313 834376 CC1=NN(C(=O)C1)C2=NC(=CS2)C3=CC=CC=C3 1 2.067 3 1 -1.19616030406803 834375 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CCC(=O)NN 1 0.874 2 3 0 -9.86808881393174 834369 C1=CC=C(C(=C1)CNCC2=CC=C(C=C2)F)C(F)(F)F 1 4.098 1 0 4.87159213060217 834368 C1=CC=C(C(=C1)CNCC2=CC=NC=C2)C(F)(F)F 1 2.742 2 0 3.91448432042373 834353 CC1=C(C=C(C=C1)N2CCCN3C2=CC(=C(C3=O)C#N)C)Cl 1 3.619 3 1 -4.4164526251933 834352 CC1=C(C(=O)N2CCCN(C2=C1)C3=CC(=CC=C3)Cl)C#N 1 3.133 3 1 -0.46177282228861 834351 CC1=C(C(=O)N2CCCN(C2=C1)C3=CC=CC=C3)C#N 1 2.468 3 1 -4.6762841497569 834350 CC1=C(C=C(C=C1)N2CCCN3C2=CC(=C(C3=O)C#N)C)C 1 3.441 3 1 -4.48159048440777 834348 CC1=C(C=C(C=C1)OCC(=O)N2CCOCC2)C 1 1.739 1 3 0 -8.01848686341815 834331 COC1=CC=CC(=C1OC)CNC2=CC=C(C=C2)N3CCCCC3 1 4.268 2 2 -1.40357916761391 834328 COC1=CC=CC(=C1OC)CNC2=NNN=N2 1 1.087 5 2 0 -3.1702168898677 834314 CCOC1=C(C=C(C=C1)Br)CNCC2=CN=CC=C2 1 2.881 2 1 4.29959560031213e-002 834312 CC1CCN(CC1)C2=CC=C(C=C2)NCC3=C(C(=CC=C3)OC)OC 1 4.52 2 2 -2.81197736162284 834308 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O 1 1.711 2 6 0 -6.89219709048266 834263 C1=CSC(=C1)CNCC2=C(C=C(C=C2)Cl)Cl 1 4.019 1 0 3.31634201866957 834260 CC1=C(C2=C(O1)C=CC(=C2)O)C(=O)C3=CC=CC=C3 1 3.441 0 3 -0.144217349159094 834255 C1=CSC(=C1)CNCC2=CC=C(C=C2)Br 1 3.439 1 0 1.1135311398633 834228 C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=NC(=S)N4)N 1 3.444 3 0 -5.18855869069418 834226 C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=NC=N4)N 1 3.846 3 0 1.43407790339355 834221 CC(=O)N1CC2(CN(C1)CN(C2)C(=O)C)C(=O)C3=CC=CC=C3 1 -1.e-003 3 3 0 -6.63394963622391 834209 C1=CC(=CC(=C1)Br)CNCC2=CC=CS2 1 3.439 1 0 0.901788656052993 834197 C1=CC=C2C(=C1)C=CC(=C2CNC3=NNN=N3)OCC4=CC=C(C=C4)F 1 3.801 5 1 1.97732285118927 834196 C1=CC=C2C(=C1)C=CC(=C2CNC3=NNN=N3)OCC4=CC=CC=C4F 1 3.801 5 1 0.22128920584462 834185 COC1=C(C=CC(=C1)CNC2=CC3=C(C=C2)OCCO3)OCC(=O)N 1 1.829 2 5 0 -14.1240671128813 834181 C1=CC(=CC(=C1)Cl)C(=O)NC2=CC(=CC=C2)NC(=O)C3=NC=NN3 1 2.23 5 2 0 -5.42059328221222 834179 CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=O)C3=NC=NN3 1 2.052 5 2 0 -10.0622933961178 834177 C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=NC=NN4)F 1 2.437 5 2 0 2.64463837384899 834173 C1=CC(=CC=C1CSC2=NN=NN2C3=CC=C(C=C3)F)C(=O)O 1 3.219 4 2 -17.0079785199441 834166 COC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)OC 1 3.792 2 2 -5.93652677786579 834158 CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2 1 3.459 2 3 -6.81490814662487 834154 CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3 1 3.329 3 2 4.65777901073869 834151 CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C)Cl 1 3.884 3 1 3.67412659408419 834148 CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C 1 3.066 3 2 -1.74371438384988 834138 CC1=C(C=CC(=N1)NC(=O)C2=CC=CS2)Br 1 2.987 2 1 -3.84809817534336 834136 CC1=C(C=CC(=N1)NC(=O)C2=CC3=CC=CC=C3O2)Br 1 3.629 2 2 2.00215548273813 834134 CCNC1=NC(=NC(=N1)N(CCOC2=CC=CC=C2)C#N)NC(C)C 1 2.363 7 1 0 -8.4426901062011 834131 CC(=NNC(=O)C1=CC=C(C=C1)Br)/C=C/C2=CC=CC=C2 1 3.87 2 1 -4.07450703490888 834094 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNN2C(=NN=N2)N)OC 1 -1.5e-002 7 3 0 -20.1732503816444 834093 CC(C)(C)NCC1=CC(=C(C=C1)OCC(=O)NC(C)(C)C)OC 1 2.257 2 3 -16.7676530031563 834091 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNC2=NC=NN2)OC 1 1.009 5 3 0 -18.8932557899746 834090 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNN2C=NN=C2)OC 1 0.449 5 3 0 -17.0548307676503 834085 C1CCC(C1)NCC2=CC=CC=C2OCC3=CC=CC=C3 1 4.336 1 1 1.25651953210366 834066 CC1=CC=C(C=C1)CNC(C)(C)CO 1 1.897 1 1 0 -2.85869623401218 834064 C1=CC(=CC(=C1)Br)CNC2=CC=C(C=C2)C(=O)O 1 3.6 1 2 -3.3675682549369 834063 COC1=CC=CC=C1CNC2=CC=C(C=C2)C(=O)O 1 2.835 1 3 -5.53468073445001 834058 C1=CC(=CC=C1CNC2=CC=C(C=C2)C(=O)O)Br 1 3.6 1 2 -3.25321999765138 834056 C1=CC(=CC=C1CNN2C=NN=C2SCC3=CC=C(C=C3)F)F 1 3.569 4 0 -7.56561655975159 834052 CC1=CC=C(C=C1)CNN2C=NN=C2SCC3=CC=C(C=C3)F 1 3.85 4 0 -6.73929761753404 834051 C1=CC=C(C=C1)CNN2C=NN=C2SCC3=CC=C(C=C3)F 1 3.363 4 0 -7.27258509770335 834046 CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNC(C)(C)CO)OC 1 1.369 2 4 0 -18.694996153335 834043 CC(C)(CO)NCC1=CC(=CC=C1)OCC2=CC=C(C=C2)Cl 1 3.642 1 2 -1.53586362090293 834031 C1=CC(=CC=C1CN2C=NC(=C2C(=O)O)C(=O)O)Br 1 2.234 2 4 -6.89566216194199 834027 CS(=O)(=O)C1=NC(=NN1CCCC2=CC=CC=C2)[N+](=O)[O-] 1 2.639 4 4 0 -12.0441944197143 834024 COC1=CC=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)F 1 3.243 2 2 2.55291160810232 834017 CSC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 1 2.663 3 1 -14.6171503889338 834005 CC1=CC=C(C=C1)CNCC2=CN=CC=C2 1 2.286 2 0 6.76471166525709e-002 834002 CCOC1=CC=C(C=C1)CNCC2=CN=CC=C2 1 2.132 2 1 -1.11154224419959 834001 C1=CC=C(C=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3 1 2.252 2 2 -2.98111969782269 834000 C1=CC(=C(C(=C1)Cl)CNCC2=CN=CC=C2)F 1 2.67 2 0 -2.66911178945596 833997 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NCC3=CC=C(C=C3)F 1 2.806 3 1 -2.30562306211614 833994 C1=CC=C(C=C1)COC2=CC=C(C=C2)CNC3=CC=C(C=C3)O 1 4.547 1 2 0.572978866575135 833990 C1=CC=C(C=C1)COC2=CC=CC=C2CNC3=CC=C(C=C3)O 1 4.547 1 2 -0.15035885692967 833988 CC1=CC=C(C=C1)CNC2=CC=C(C=C2)O 1 3.466 1 1 1.54531918926245 833986 C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)CNC3=CC=C(C=C3)O 1 4.752 1 2 1.75803013725014 833984 C1=CC=C(C=C1)COC2=CC=CC(=C2)CNC3=CC=C(C=C3)O 1 4.547 1 2 0.13394398048051 833983 CCOC1=CC=CC=C1CNC2=CC=C(C=C2)O 1 3.312 1 2 -0.908059201633577 833981 COC1=C(C=C(C=C1)Br)CNC2=CC=C(C=C2)O 1 3.712 1 2 1.26340927457181 833976 C1=CC=C(C(=C1)CNC2=CC=C(C=C2)O)OCC3=CC=CC=C3F 1 4.752 1 2 -0.334811620190825 833970 CCC1=CC=C(C=C1)CNC2=CC=C(C=C2)O 1 3.922 1 1 0.889181075376539 833967 CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N3CCCC3 1 3.724 2 1 -4.54549067698492 833961 CC(C)(C)C(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)Cl 1 3.942 2 3 -13.7279173230014 833956 CC1=CC=C(C=C1)CNN2C=NNC2=S 1 1.936 4 0 0 -4.3620221498326 833951 CCCC(=O)NC(=S)NC1=CC=CC=C1N2CCOCC2 1 3.074 3 2 -13.4449321395624 833950 CC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3Cl)F)F 1 3.476 2 2 6.02006959784207 833944 CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)C)Cl 1 4.656 2 2 -6.43491415115792 833939 CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C 1 1.464 3 4 0 -14.1319970691839 833925 CC(C)CC(=O)NC(=S)NC1=C(C=C(C=C1)F)F 1 3.887 2 1 -8.59015765996549 833919 CC1=C(C=CC(=C1)NC(=S)NC(=O)CC(C)C)Br 1 4.711 2 1 -9.75654719294766 833914 CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=CC=C2F)C 1 2.806 4 1 -11.1565423327461 833874 C1CCC(C1)NC(=S)NC(=O)C2=CC=CC=C2Br 1 4.062 2 1 -8.56217523262863 833835 C1=CC=C(C=C1)COC2=CC=CC(=C2)CNN3C(=NN=N3)N 1 1.594 6 1 0 -5.69954648963805 833834 CCOC1=CC=CC=C1CNN2C(=NN=N2)N 1 0.359 6 1 0 -7.06485185961156 833826 CC1=CC(=C(C=C1)NC(=O)/C=C/C(=O)O)NC(=O)C2=CC=CC=C2 1 2.464 2 4 -9.26491319209944 833818 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2OCC)[N+](=O)[O-] 1 3.173 2 5 0 -11.4899584684122 833806 CC1=CC=CC=C1NC(=S)NC(=O)COC2=CC=CC=C2C 1 4.573 2 2 -9.18460191117008 833803 C1=COC(=C1)CN2C(=CC(=O)NC2=O)N 1 -0.261 3 3 0 -7.94854771958323 833802 CCN(CC)CC1=C(SC(=C1C)C)NC(=O)C2=CC=CC=C2 1 3.804 2 1 -7.45747602225381 833787 CC1=CC=C(C=C1)NCC(=O)NN=CC2=CC=C(C=C2)C(=O)O 1 2.459 3 3 -10.4129845990337 833786 C1=CC=C(C=C1)CSC2=NC(=S)C3=CC=CC=C3N2 1 4.513 2 0 -9.55204692531915 833772 CCOC1=CC=C(C=C1)CNN2C(=NN=N2)N 1 0.359 6 1 0 -5.46736064170827 833771 CC1=CC(=NN1)C(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=CO3 1 2.528 4 4 0 -11.8573017932602 833770 CCOC1=CC=C(C=C1)CNN2C=NN=C2 1 0.823 4 1 0 -2.34894102771416 833762 CC1=CC(=O)OC2=C1C(=NN2C3=CC=C(C=C3)C(=O)OC(C)C)C 1 3.561 2 4 -8.92303805270534 833742 C1=C(OC(=C1)C2=CC(=C(C=C2Cl)Cl)Cl)C=NNC(=S)N 1 4.997 3 1 0.359347732521246 833722 C1=CC(=CC(=C1)Cl)N2C(=NN=N2)SCC(=O)N 1 1.318 5 1 0 -14.4662480185222 833716 C1=CC=C(C(=C1)N)N=CC2=CC=C(O2)C3=CC(=CC=C3)Cl 1 4.549 2 1 12.4636090196526 833688 CC1=CC(=NC(=C1C#N)Cl)C2=CC=CC=C2 1 3.864 2 0 -0.233609721817779 833677 CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC(=C(C=C3)OC)OC 1 2.399 2 5 0 -13.0481838667191 833673 COC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2 1 3.822 1 1 9.75221193015685 833671 CCOC1=CC=C(C=C1)NN=C(C#N)C(=O)N 1 1.26 4 2 0 -1.39674849926789 833668 C1CCC(C1)C(=O)N2CCNC(=O)C2 1 0.128 2 2 0 -17.406593684402 833661 C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)C3CC3 1 2.774 2 2 -10.2098217535174 833660 C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)CCC(=O)O 1 1.862 2 4 0 -17.2533159708995 833658 CN(C1CCCCC1)C(=S)NC(=O)C2=CC=C(C=C2)OC 1 4.289 2 2 -9.572730717624 833655 CC(=O)NC(=S)NC1=CC=CC=C1C(=O)OC 1 1.957 2 3 0 -13.1244577603919 833654 CCCC1=NN=C(O1)C2=CC(=C(C(=C2)OC)OC)OC 1 2.463 2 4 -7.41058003121536 833649 C1=CC=C(C=C1)CCC2=NN=C(O2)C3=C(C=C(C=C3)Cl)Cl 1 4.874 2 1 -3.75883524011574 833645 COC1=C(C=C(C=C1)[N+](=O)[O-])C=NNC(=O)CC2=CC=CC=C2 1 2.596 3 4 0 -6.761508409795 833644 CCCC1=NN=C(O1)C2=CC=C(C=C2)OC 1 2.496 2 2 -2.89047072076265 833639 COC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3 1 3.382 2 3 -9.26216588597381 833622 C1CC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 1 2.195 2 3 -5.04406360562023 833617 C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=CC=C3 1 2.801 2 1 -3.94198496230458 833616 C1CN(CC(=O)N1)C(=O)COC2=CC=CC=C2 1 -4.3e-002 2 3 0 -18.9983548742353 833615 CC1=CC(=CC(=C1)OCC(=O)NN2C(=O)C3=CC=CC=C3C2=O)C 1 2.503 2 4 -6.20157008730648 833614 CC1=C(C(=CC=C1)C)OCC(=O)NNC(=O)NC2=CC=C(C=C2)Cl 1 3.251 3 3 -7.93109511119873 833609 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC3)C 1 3.168 2 3 -4.99315783184321 833608 C1=CC(=CC(=C1)Br)C(=O)NC2=CC3=C(C=C2)N=CC=C3 1 3.549 2 1 -2.8443049844941 833605 CC1=CC(=CC=C1)NC(=S)NC(=O)C2CC2 1 3.345 2 1 -6.43599423991986 833604 CC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(O2)Br 1 4.215 2 2 -7.25073503519157 833603 CC1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)OC 1 4.27 2 2 -5.54443722217619 833601 CC1=CC(=CC=C1)NC(=S)NC(=O)CCC2=CC=CC=C2 1 4.743 2 1 -8.25652247797483 833597 C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3 1 2.788 3 4 0 -11.0788209291231 833589 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)N 1 2.125 2 2 -6.3626382143732 833554 C1CC1C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)Cl 1 4.188 2 1 -5.48668039333677 833548 CN(CC1=CC=CC=C1)C(=S)NC(=O)C2CCCCC2 1 4.493 2 1 -4.84407705816782 833546 CN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=CS2 1 3.984 2 1 -8.60473740352088 833545 CC1=CC=C(C=C1)C(=O)NC(=S)N(C)CC2=CC=CC=C2 1 4.517 2 1 -7.98690680584915 833541 CCN(C1=CC=CC=C1)C(=S)NC(=O)C2CC2 1 3.562 2 1 -10.1695395942101 833540 CCN(C1=CC=CC=C1)C(=S)NC(=O)CC2=CC=C(C=C2)OC 1 4.486 2 2 -9.44353011023005 833526 CC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.52 0 3 -5.26646949466626 833525 CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(O2)Br 1 3.632 0 4 -9.00899849146032 833523 CC1=NN(C=C1)C(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3 1 3.457 3 2 -3.46376070641711 833522 CC1=NN(C=C1)C(=O)C2=CC=C(C=C2)NC(=O)C3CC3 1 2.089 3 2 -6.85843931215686 833520 CCCC(=O)NC1=CC=C(C=C1)C(=O)N2C=CC(=N2)C 1 2.454 3 2 -13.1285772543733 833513 CC1=NN(C=C1)C(=O)C2=CC=C(C=C2)NC(=O)CC(C)C 1 2.706 3 2 -11.6796003028914 833508 CC1=CC=CC=C1OCC(=O)OC2=CC=C(C=C2)OC 1 3.567 0 4 -5.2023185908943 833499 CC1=CC(=CC=C1)OCC(=O)OC2=CC=C(C=C2)Cl 1 4.247 0 3 -1.89772655372207 833495 COC1=C(C=C(C=C1)C(=O)N2C=NC3=CC=CC=C32)Br 1 3.731 2 2 -3.83782298910725 833493 COC1=CC2=C(CC(=O)N(C2=O)C3=CC=CC=C3OC)C=C1 1 2.441 1 4 -4.25963880032619 833492 COC1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2)Br 1 3.821 3 2 -1.43131974257068 833469 CCN(C1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)C)Br 1 4.404 1 1 -4.93008248436198 833466 C=CCC1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)O)CC=C)O 1 4.464 0 4 -6.31882918102175 833444 C1CCC(CC1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N 1 2.933 3 3 -10.5993572213492 833437 C1CC1C(=O)NC(=S)NCC2=CC=CC=C2 1 2.588 2 1 -9.9390964948116 833436 CC1=CC(=CC(=C1)NC(=S)NC(=O)C2CC2)C 1 3.832 2 1 -8.78783770909715 833435 CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2CCCCC2)C 1 3.648 3 2 -9.43731569376509 833432 C1CC1C(=O)NC(=S)NC2=CC(=C(C=C2)Br)Cl 1 4.272 2 1 -6.51504992390108 833428 CC1=CC(=C(C=C1)NC(=S)NC(=O)C2CC2)C 1 3.832 2 1 -10.0815410507589 833425 CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2CC2 1 1.98 3 2 0 -11.5135575300022 833421 CCN(CC)C(=S)NC(=O)C1=CC(=C(C=C1)OC)Br 1 3.877 2 2 -10.898384754815 833415 CCN(CC)C(=S)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC 1 3.096 2 4 -14.002345501924 833412 COC1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC=CC(=C2)CO 1 3.18 2 3 -8.12780799046263 833411 CC1=CC(=CC=C1)OCC(=O)NC(=S)N2CCCC3=CC=CC=C32 1 4.972 2 2 -9.88404828614672 833409 C1CN(C2=CC=CC=C21)C(=S)NC(=O)C3=CC=CO3 1 3.589 2 2 -13.0716528290608 833406 C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)C3=CC=CO3 1 4.045 2 2 -11.5422825021526 833404 COC1=CC=C(C=C1)C(=O)NC(=S)N2CCCC2 1 2.892 2 2 -12.0574510994073 833399 C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)N 1 3.259 3 2 -12.5673300015098 833395 C1CN(C2=CC=CC=C21)C(=S)NC(=O)COC3=CC=CC=C3 1 4.029 2 2 -13.0645141846502 833394 C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] 1 3.495 3 4 0 -9.77724695147017 833381 C1CCCN(CC1)C(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl 1 5.149 2 1 -7.56551920889771 833380 CC(=O)NC1=C(N=C(S1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.402 2 1 1.43593593319454 833379 CCN(CC)C(=S)NC(=O)C1=C(C=C(C=C1)Cl)Cl 1 4.474 2 1 -5.60070245682857 833378 CC1=CC=CC=C1C(=O)NC(=S)NCCC2=CCCCC2 1 4.725 2 1 -15.4219950907324 833371 CC1=CC=CC(=C1)C(=O)NC(=S)NCC2=CC=CC=C2 1 3.981 2 1 -9.83073461113394 833366 C1CN(C2=CC=CC=C21)C(=S)NC(=O)C3=CC=CC=C3 1 4.194 2 1 -14.4088831202903 833362 CCN(CC)C(=S)NC(=O)C1=CC=C(C=C1)F 1 3.35 2 1 -9.32225962689687 833356 C1CN(C2=CC=CC=C21)C(=S)NC(=O)COC3=CC=CC=C3Cl 1 4.694 2 2 -13.1564171668695 833348 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCCC2 1 4.309 2 1 -9.06635074115187 833347 CC1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C 1 5.017 2 1 -12.1099288592244 833346 CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCCCCC2 1 5.221 2 1 -9.42081925531995 833324 CCC1=CC=C(C=C1)OCC(=O)N2CCC3=CC=CC=C32 1 3.673 1 2 -9.60546281556987 833323 C1CCC(=CC1)CCNC(=O)COC2=CC=CC=C2Cl 1 3.865 1 2 -11.7860368189456 833317 CC(=O)N(C)C1=CC=C(C=C1)NC(=O)CC2=CC=CC3=CC=CC=C32 1 2.884 2 2 -7.69614101829875 833316 CCC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=NNC(=C2)C 1 1.667 4 3 0 -10.3634612117578 833302 CC1=CC(=C(C=C1)C)OCC(=O)NNC(=O)C2CC2 1 1.772 2 3 0 -9.90693471493416 833289 CC1=CC=C(C=C1)OCC(=O)OC2=CC=CC=C2[N+](=O)[O-] 1 3.477 1 5 -7.70743565473752 833286 CC1=CC(=NN1)C(=O)NN=C2CC(=O)CC(C2)(C)C 1 0.882 4 2 0 -12.8718797229625 833281 CC1=CC(=NN1)C(=O)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 0.84 4 5 0 -10.716593382991 833279 CC1=CC(=NN1)C(=O)NNC(=O)CC2=CC=C(C=C2)OC 1 0.907 4 3 0 -9.7705686398683 833277 C1COCCOCCOCCN1CC(=O)NC2=CC=CC=C2 1 0.382 2 4 0 -7.51637357418869 833270 CC1=CC(=NN1)C(=O)NN=C(C)C(C)(C)C 1 1.554 4 1 0 -11.0506147938832 833263 CN(CC1=CC=CC=C1)C(=O)COC2=CC3=CC=CC=C3C=C2 1 3.571 1 2 -5.12906095292706 833259 CC1=CC(=C(C=C1)O)NN=C(C(=O)C)C(=O)N 1 1.023 3 3 0 1.73318370143404 833240 C1CCN(CC1)C(=S)NC(=O)C2=CC=CS2 1 3.318 2 1 -12.5193897755782 833234 C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=CO3 1 3.325 3 3 -4.58617076159558 833233 CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C)Br 1 3.589 1 2 -6.09564483346301 833232 CC1=C(C=C(C=C1)C(=O)NNC(=O)C2CC2)Br 1 2.199 2 2 -7.29812005511748 833231 CC1=C(C=C(C=C1)C(=O)N2CCCC2)Br 1 2.939 1 1 -2.94014067640391 833229 CC1=C(C=C(C=C1)C(=O)NNC(=O)OC)Br 1 2.085 2 3 -5.99146037236365 833223 C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=CO3 1 1.956 3 3 0 -7.98084936733533 833220 C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=C(C=C3)F 1 1.955 3 3 0 -5.60468033541941 833166 C1CCC(CC1)C(=O)NN2C(=O)C3=CC=CC=C3C2=O 1 2.157 2 3 -3.50205948999241 833159 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC3 1 2.179 2 4 -5.13799557637938 833157 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC3)C 1 3.168 2 3 -6.72425067641675 833152 C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC3 1 1.742 2 3 0 -17.187239963396 833151 CC1=C(C=CO1)C(=O)NNC(=O)C2CC2 1 0.214 2 3 0 -8.61702905984004 833149 CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2CC2 1 8.5e-002 3 3 0 -12.3433359322225 833146 C1CC1C(=O)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.483 2 2 -5.34968874286416 833145 CC1=CC=CC(=C1)C(=O)NNC(=O)C2CC2 1 1.451 2 2 0 -8.33473427060387 833143 CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2CCCCC2 1 2.121 3 3 -8.88225678272472 833137 CC1=C(C=CO1)C(=O)NNC(=O)COC2=CC=CC=C2OC 1 0.939 2 5 0 -12.398379959527 833135 CC1=C(C=CO1)C(=O)NNC(=O)CC2=CC=CC=C2 1 1.155 2 3 0 -8.56316892573496 833124 CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)C 1 3.992 2 2 -10.5408805592303 833120 C1CCC(=NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C1 1 1.681 3 4 0 -9.93866451592786 833108 C1CC1C(=NNC(=S)NC2=CC=CC=C2)C3CC3 1 3.908 3 0 -8.64545781110423 833105 C1=CC=C(C=C1)NC(=S)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 4.644 4 2 -4.83379397643353 833094 CC1=C(C=CO1)C(=O)NNC(=O)C2=CC=C(O2)Br 1 1.084 2 4 0 -6.42535313927344 833088 C1CCC(=NNC(=O)CCC(=O)NC2=CC=CC=C2Cl)C1 1 1.952 3 2 0 -11.6187183440031 833085 CC1=C(C=CO1)C(=O)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC 1 1.071 2 6 0 -8.89207315198248 833083 CC1=C(C=CO1)C(=O)NNC(=O)C2=CC=CC=C2C(=O)O 1 0.75 2 5 0 -6.86388497284733 833082 CC1=CC=CC=C1C(=O)NNC(=O)C2=C(OC=C2)C 1 1.607 2 3 0 -7.8208107274902 833077 CC(=NNC(=O)C1CCCCC1)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.02 3 3 -6.82587491251733 833076 CC1=CC(=NN1C(=O)C2=CC(=C(C=C2)OC)Br)C 1 3.088 2 2 -6.48586523250657 833072 CC(C)(C)P(=O)(C1=CC=CC=C1)NCC2=CC=CC=C2 1 3.279 1 1 -4.64453928436803 833065 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)C(Cl)Cl 1 4.972 2 0 9.80865239193778 833063 CC1=CC(=O)N(C(=C1)C)N=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 3.046 3 3 -3.04178097920076 833056 CCCC(=O)NC1=CC=C(C=C1)C(=O)NN=C(C2CC2)C3CC3 1 2.749 3 2 -17.6817287004218 833054 COC(=O)NN=CC1=CC=C(C=C1)C=NNC(=O)OC 1 1.494 4 4 0 -6.70551370039034 833052 CC1=C(C=CC(=C1)Cl)OCC(=O)NN=C2CCCC3=CC=CC=C32 1 4.431 2 2 -4.20822251433672 833046 CC1=CC(=C(C(=C1)C)C=NNC(=O)OC)C 1 3.12 2 2 -5.90672734796048 833044 CC1=C(C=CC=C1Cl)NCC(=O)NN=C(C)C2=CC=CS2 1 3.428 3 1 -9.33457742228288 833010 CC1=CC(=C(C=C1)O)N=CC2=CC=CS2 1 3.624 1 1 8.7130386280389 832991 CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)Cl 1 4.17 2 2 -8.77787861109805 832988 C1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F 1 2.622 3 3 -5.21926916490616 832987 CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NC2=CC=CC=C2 1 2.903 3 3 -5.54561596628872 832985 COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC=CC=C2 1 2.4 3 4 0 -7.98591104826169 832982 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NN=C(C(=O)C)C(=O)C 1 1.322 3 4 0 -9.87479597737975 832981 CC1=CC(=C(C=C1)O)NN=C(C(=O)C)C(=O)C 1 1.752 2 3 0 2.674681677777 832963 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NN=C(C#N)C(=O)N 1 -0.267 5 4 0 -16.5146581787437 832917 CCC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-] 1 2.365 4 4 0 -9.88757346486414 832922 CCC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CN=CC=C2 1 1.32 4 2 0 -8.46944198147611 832961 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NN=C(C#N)C(=O)N 1 1.214 5 3 0 -17.2779637106591 832954 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NN=C(C#N)C#N 1 1.619 5 2 0 -11.6263899475863 832949 CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] 1 2.881 4 3 0 -4.22750814122781 832948 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NN=C(C#N)C#N 1 2.091 5 2 0 -18.6738712366746 832947 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NN=C(C#N)C#N 1 1.382 5 2 0 -15.5979144691414 832945 CC1=CC(=C(C=C1)O)NN=C2C(=O)CC(CC2=O)(C)C 1 2.715 2 3 -4.26411870241452 832935 C1CCC(=NNC(=O)C2=CC=CS2)C1 1 1.905 2 1 0 -8.82036797192096 832902 CC(=NNC(=O)C1=CC=C(C=C1)N)C2CC2 1 1.001 3 1 0 -8.07396643522446 832900 C1CCC2=C(C1)C(=C(S2)NC(=S)NC3=CC=C(C=C3)F)C(=O)N 1 4.744 3 1 -12.2390868392279 832886 C1CCC(CC1)NC(=O)OC2=CC=CC3=CC=CC=C32 1 4.36 1 2 -4.7560965132432 832884 CC1=CC(=CC=C1)NC(=S)NN=CC2=CC3=C(C=C2)OCO3 1 4.34 3 2 -5.02947113638707 832881 CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CC3=CC=CC=C3 1 3.534 3 1 -11.653858034411 832879 CC1=CC=C(O1)C=NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N 1 4.086 2 2 1.8271298819217 832869 CC(=O)NC1=CC=C(C=C1)N/C=C(\C=O)/C2=NC3=CC=CC=C3O2 1 1.822 3 3 0 -1.58608187926975 832854 C1=CC=C(C=C1)C(=O)N2C(=CSC2=S)OC(=O)C3=CC=CC=C3 1 4.463 1 3 -7.34833805385211 832844 C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C#N 1 4.245 3 0 -6.25274290716911 832843 CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2 1 4.571 2 2 -8.92264949132429 832838 C1=CC=C(C=C1)N=C/C=C\2/N(C3=CC=CC=C3O2)CCC(=O)O 1 3.622 2 3 2.49628956862791 832836 CC(C)C(=NNC(=O)NC1=CC=CC=C1)C2=CC=CC=C2 1 3.701 3 1 -4.94328173729021 832835 CC1=CC=C(C=C1)NC(=S)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] 1 5.131 4 2 -6.8446684193816 832834 C1=CC=C(C=C1)/C(=C\2/C3=CC=CC=C3C(=O)O2)/C(=O)O 1 2.712 0 4 -4.11335292278842 832832 C1=CC=C(C=C1)/C(=C/2\C3=CC=CC=C3C(=O)O2)/C(=O)O 1 2.712 0 4 -4.11335292278842 832817 C1=CC(=CC(=C1)N)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O 1 1.854 3 2 0 -0.835891184204328 832815 C1=CC=C2C(=C1)C=CC=C2OCC(=O)NN=CC3=CC=NC=C3 1 2.276 3 2 -5.07835625335709 832811 CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=O)NC2=CC=CC=C2 1 3.295 3 3 -6.69518457650023 832770 CC1=C(N=CC=C1)NC(=O)NC2=CC=CC3=CC=CC=C32 1 3.306 3 1 -4.83838992097122 832758 CCN(CC)C1=CC=C(C=C1)C=NN2C(=O)C3=CC=CC=C3C2=O 1 3.367 3 2 -6.59672187659502 832754 CC1=CC(=C(C(=C1)C)C=NN2C(=CC(=C(C2=O)C#N)C)C)C 1 3.785 3 1 -5.3573025175668 832753 CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2 1 3.506 2 2 -11.0481681891213 832748 CC1=CC=C(C=C1)C(=O)NNC(=O)OC 1 1.336 2 3 0 -7.20592546210803 832746 CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 1 1.651 2 3 0 -23.1029093914443 832709 CCCC(=O)NC1=CC=C(C=C1)C(=O)NN=C2CC(=O)CC(C2)(C)C 1 2.108 3 3 -18.9857902360963 832707 CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NN=C2CCCC2 1 2.26 3 2 -13.3980242991243 832702 CCCC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CN=CC=C2 1 1.776 4 2 0 -13.8917361161237 832695 CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 0.878 2 4 0 -25.4155606270622 832690 CC(=NNC(=O)COC1=CC=CC=C1)C2=CC=CS2 1 2.452 2 2 -9.14496430954657 832689 C1CCCN(CC1)CC2=CC=CC=C2CO 1 2.672 1 1 2.14813132779032 832683 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O 1 0.373 2 5 0 -23.3082266316045 832676 CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 1 0.422 2 4 0 -19.9932664924146 832667 CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)CC2=CC=C(C=C2)OC 1 1.01 3 4 0 -11.887627102482 832666 C1CCC(CC1)NC(=O)COC2=CC=CC=C2 1 2.731 1 2 -7.86528017496064 832652 COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)N 1 1.635 2 3 0 -9.0815885892613 832651 CCC(=O)NC1=CC(=C(C=C1)Br)Cl 1 3.03 1 1 -1.88757758273868 832648 CC1=C(C=CO1)C(=O)NNC2=CC(=O)CC(C2)(C)C 1 0.86 2 3 0 -15.6976554930503 832645 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=CC=C3 1 4.002 1 3 -6.10675078160102 832638 CCC1=CC(=C(C=C1)OCC(=O)NC2CCCCC2)Br 1 4.422 1 2 -6.89014417577447 832616 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NN3C(=O)C4=CC=CC=C4C3=O 1 2.439 2 4 -3.57548887698728 832603 C1CCC(=CC1)CCNC(=O)CCC2=CC=CC=C2 1 3.856 1 1 -15.3290542388341 832569 CC(=O)NC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C 1 1.525 3 5 0 -6.05414795362841 832568 C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC=CC=C3Cl 1 4.187 1 1 -1.4190405931461 832562 CC1=CC=C(C=C1)NC(=O)C(C)C(=O)NC2=CC=C(C=C2)C 1 3.35 2 2 -5.92480884214713 832561 CC(C(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC=C2 1 2.378 2 2 -6.08146298052048 832558 CC1=C(C(=NN1C2=CC=CC=C2)C)C3=CC=CC=C3O 1 3.761 2 1 4.19659989994841 832542 C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)NC3=CC=CC=C3 1 3.467 3 1 1.21251825072136 832534 CC1=C(C=C(C=C1)N=CC2=C(C=CS2)C)C 1 4.838 1 0 7.31209174855928 832516 CC(=NNC(=O)N)CCC1=CC=C(C=C1)OC 1 1.254 3 2 0 -6.42921822303797 832509 C1CCC(=NO)/C(=C/C2=CC=CC=C2)/C1 1 3.293 1 1 -0.701880848000918 832507 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC3=CC=CC=C3Cl 1 3.422 2 3 -5.17357102647595 832505 CC1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3N2 1 3.447 1 1 -1.48418236030522 832440 CC1=CC(=C(C(=C1)C)OCC(=O)NN=CC2=CC=CO2)C 1 3.372 2 3 -6.58004349300358 832427 CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1N=CC4=CC=CO4 1 3.245 3 2 -13.938159093281 832425 C1CCC2=C(C1)C3=C(N=CN=C3S2)N4C=NC5=CC=CC=C54 1 4.332 4 0 -7.48843218001589 832423 CC1=C(C=C(C=C1)NCC(=O)NC2=CC=C(C=C2)Br)C 1 3.995 2 1 -5.66628749822815 832383 CN1C(=C(C=N1)N=CC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)Cl 1 3.816 4 1 2.08120984982292 832354 C/C(=C(\C(=O)O)/NC(=O)C1=CC=CC=C1)/C2=CC=CO2 1 2.258 1 4 -6.82135157813517 832352 CC1=CC=CN2C1=NC(=C2)C3=CC(=C(C=C3)OC)F 1 3.192 2 1 1.23717505759517 832348 CCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=CC=CS3 1 2.535 4 2 -20.3426176644179 832347 CN1C(=NN=C1SCC2=NC(=NO2)C3=CC=CC=C3)C4=CC=CO4 1 2.97 5 2 0 -0.176830346584457 832346 CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3=CC=CS3 1 2.704 4 1 -20.2707089030692 832343 CC1=C(OC2=CC=CC=C12)C(=O)NCCN3CCOCC3 1 1.945 2 3 0 -0.691533716327891 832322 C1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3N=C2C4=CN=CS4 1 2.866 4 1 -15.8173372865503 832320 CC(C)COC1=CC=C(C=C1)C(=S)N2CCCC2 1 4.304 1 1 -6.40417617525786 832308 CC1=CC(=CC=C1)N2C(=CC(=O)NC2=S)N 1 2.556 3 1 -3.24130115422755 832306 CC1=C(C=C(C=C1)NC2=CC(=O)CC(C2)(C)C)Cl 1 3.854 1 1 -12.0815326639747 832300 CC1=CC(=NC=C1)NC(=O)COC2=C(C=C(C=C2[N+](=O)[O-])C)C 1 3.191 3 4 0 -5.2948628612849 832298 CC1=CC(=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=CC=CC=N2)C 1 2.705 3 4 0 -5.30310245808632 832288 CCN1CCN(CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)OCC)C 1 2.399 3 2 -5.56926528779322 832284 CCN(CC)C1=CC=C(C=C1)N=CC2=CC=C(O2)[N+](=O)[O-] 1 3.7 3 3 1.78312784469381 832238 COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)O 1 2.211 1 5 -18.1242693961943 832234 C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)C3=CC=C(C=C3)F 1 3.761 1 3 -9.93642960196188 832222 CC1=C(C(=C(C=C1)S(=O)(=O)NCCN2CCOCC2)C)C 1 2.026 2 3 -7.02867666426868 832214 CC(C)C12CN3CC(C1=O)(CN(C2)C3C4=CC=C(O4)[N+](=O)[O-])C(C)C 1 3.135 3 4 0 -7.38479756288839 832213 CCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(O4)[N+](=O)[O-])CC 1 2.631 3 4 0 -8.78132459075674 832212 CC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(O4)[N+](=O)[O-])C 1 1.719 3 4 0 -7.29411313959458 832211 CC(C)OC(=O)C1=CC=C(O1)S(=O)(=O)N 1 0.636 1 5 0 -9.89053163170272 832210 COC(=O)C1=CC=C(O1)S(=O)(=O)N2CCCCC2 1 1.239 1 5 0 -12.9408085166616 832190 CCOC1=NC(=NC(=N1)NC2=CC=C(C=C2)OC)OCC 1 3.07 4 3 0 -1.42178238115205 832184 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NCC3=CN=CC=C3 1 2.508 2 3 -18.4732533436944 832152 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC(=CC=C3)O 1 2.987 3 3 -5.43524090937322 832149 C1=CC(=C(C=C1C(=O)NC2=CC3=C(C=C2)NC(=O)N3)Cl)Cl 1 2.806 3 2 -11.9733716907903 832139 C1=CC(=CC=C1CN2C=CC(=O)C3=C2C=CN=C3C(F)(F)F)F 1 3.575 2 1 -0.207488040540833 832119 CC1=NC2=C(C=NN2C(=C1)C3=CC=CC=C3)C4=CC=CC=C4 1 3.85 3 0 -2.55682623097902 832116 CC(=NNS(=O)(=O)C)C1=C(C=C(C=C1)OC)OC 1 0.757 2 4 0 -5.97419623343913 832101 C1=CC=C(C=C1)C(=O)CNC(=O)C2=CC=C(C=C2)Cl 1 2.958 1 2 -6.12087860916709 832089 CCN1C=C(C(=N1)C(=O)NC2=NOC(=C2)C)[N+](=O)[O-] 1 1.075 5 4 0 -17.1808331862348 832086 CC(C)(C)C(=O)NCCN1CCN(CC1)C(=O)C(C)(C)C 1 1.821 3 2 0 -13.9036832935275 832080 CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CN=CC=C3 1 3.35 3 1 -1.9467677486732 832079 CCN1C(=C(C=N1)Br)C(=O)NC2=CC=C(C=C2)C(C)C 1 3.847 3 1 -4.4131048200316 832075 CCC(CC)C(=O)NCCN1CCN(CC1)C(=O)C(CC)CC 1 2.812 3 2 -12.4420126906245 832074 CN1C(=C(C=N1)Cl)C(=O)NCC2=CC=C(C=C2)Cl 1 2.891 3 1 -5.77924715047066 832073 C1=CC=C(C=C1)CN2C=C(C=N2)NC(=O)COC3=CC=CC=C3Cl 1 3.347 3 2 -10.1604578328574 832072 COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)Cl)Cl 1 3.095 4 4 0 -3.3486765225199 832071 CCN1C=C(C=N1)C(=O)NC2=C(C=C(C=C2)Cl)Cl 1 2.942 3 1 -7.34796927235569 832069 CCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=C(C=C(C=C2)C)C)C 1 3.481 3 1 -8.59446226538393 832065 CC1=NN(C(=C1Cl)C(=O)NC2C3CC4CC(C3)CC2C4)C 1 3.183 3 1 -2.51690858551576 832064 CCN1C(=C(C=N1)C(=O)NC2=CC(=CC=C2)Cl)C 1 2.423 3 1 -3.19771458003764 832057 CCN1C(=C(C(=N1)C)NC(=O)C2=CC=C(C=C2)Cl)C 1 2.705 3 1 -4.35044686161587 832043 CC1=CC2=C(C=C1)C(=C(S2)C(=O)NCC3=CN=CC=C3)Cl 1 3.774 2 1 -3.74522975521616 832039 CCN1C=C(C(=N1)C(=O)NCC2=CC=CC=C2OCC)[N+](=O)[O-] 1 2.275 4 4 0 -14.4828086213687 832016 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OCCO3 1 1.236 4 5 0 -10.7194651995328 832013 CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2C(=CC(=N2)C)C 1 1.54 5 3 0 -11.3627763865378 832012 COC1=CC=CC(=C1)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 2.199 4 5 0 -8.93673637738488 832004 CC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)C)Br 1 2.927 3 1 -8.011741218217 832003 CC1=C(C(=NN1C)C(=O)NC2CCCC2)Cl 1 2.328 3 1 -4.8218837524755 831995 CC1=CC(=C(O1)C)C(=O)N2CCOCC2 1 0.326 1 3 0 -10.0459170432736 831994 CCN1C(=C(C=N1)Br)C(=O)NC2=NC=C(S2)C 1 1.795 4 1 0 -5.44408669030044 831989 CC1=C(C=NN1C)C(=O)NC2=NOC=C2 1 0.403 4 2 0 -5.4606398588059 831986 CCN1C(=C(C=N1)C=NNS(=O)(=O)C2=CC=C(C=C2)Cl)C 1 2.194 4 2 0.368539829489644 831984 CC1=NC2=C(N1)C=C(C=C2)C3=NC4=CC=CC=C4O3 1 3.057 3 1 8.07598779242878 831980 C1=CC=C2C(=C1)N=C(O2)C3=CC4=C(C=C3)N=CN4 1 2.796 3 1 8.98376769683467 831979 CCN1C=C(C(=N1)C(=O)NC2=NC=CS2)Cl 1 1.703 4 1 0 -7.6670032129889 831978 CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CO2)C#N)C 1 2.657 2 4 -16.9799401875599 831977 CN1C(=C(C=N1)Cl)C(=O)N2CCCCC2 1 1.766 3 1 0 -6.72898962351917 831972 CC1=CC(=NO1)NC(=O)C2=C(C(=NN2C)C)[N+](=O)[O-] 1 0.871 5 4 0 -12.9100456194256 831970 CC1=NC2=C(N1)C=C(C=C2)C3=NC4=CC=CC=C4N3 1 3.046 4 0 3.12590420251675 831961 CC1=C(SC=C1)C(=O)NC2=C(SC=C2)C(=O)OC 1 2.863 1 3 -8.23942704342665 831955 CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2CCCC2 1 0.889 4 3 0 -9.62475170610273 831954 CC1=NN(C=C1C(=O)NC2=CC=CC=C2Br)C 1 2.295 3 1 -4.42493641001871 831952 C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC=CS4 1 4.008 3 1 0.460915189502242 831946 C1=CC(=CN=C1)C=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] 1 1.133 6 4 0 -10.5170142529318 831933 C1=CC(=C(C(=C1)F)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])F 1 3.545 3 3 -5.7095374146492 831931 CC1=CC=C(S1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F 1 2.813 2 3 -4.82935997595081 831915 COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=CSC3=CC=CC=C32 1 3.512 2 3 -3.96851577894733 831895 CCN1C(=C(C=N1)C=NNC(=O)COC2=CC(=CC(=C2)C)C)C 1 2.635 4 2 -6.26343914790619 831894 CC1=C(SC=C1)C(=O)NN=CC2=CC=C(C3=CC=CC=C23)OC 1 4.014 2 2 -3.95825683892537 831892 CCN1C(=C(C2=C1C=CC(=C2)C(=O)NC3=CC(=CC=C3)Cl)C)C 1 4.759 2 1 2.19977086523855 831891 CCN1C=C(C=N1)C(=O)NC2=CC=CC=C2C(=O)OC 1 1.468 3 3 0 -16.2878470463384 831889 C1CCC(CC1)C(=O)NCC2=NC3=CC=CC=C3N2 1 2.792 3 1 -6.66499327010675 831887 CN1C=C(C=N1)C(=O)NC2=CC(=CC=C2)F 1 1.47 3 1 0 -3.90545748891622 831883 CCN1C(=C(C=N1)Br)C(=O)NC2CCCCCCC2 1 3.847 3 1 -7.85240403971061 831880 CC1=CC=C(C=C1)C=NNC(=O)C2=CSC3=C2CCCC3 1 4.214 2 1 -5.82510989870872 831876 CC1=CC(=CC(=C1)OCC(=O)NN=CC2=CN(N=C2C)C)C 1 2.423 4 2 -3.81296244772665 831861 CC1=CC(=CC=C1)NC(=O)NNC(=O)C2=C(C(=NN2C)C)Cl 1 2.154 5 2 0 -3.20860508401142 831849 CC1=C(SC=C1)C=NNC(=O)C2=C(C=CS2)C 1 3.562 2 1 -5.86875267966883 831845 CCN1C(=C(C=N1)C=NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C 1 1.756 5 3 0 -7.49487777662239 831844 C1=CC=C2C(=C1)N=CC(=N2)C=NNC(=O)C3=CC(=CC=C3)F 1 2.781 4 1 -1.16352381646171 831843 CCN1C(=C(C=N1)Cl)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC 1 2.447 4 4 0 -8.89457298711231 831839 CN1C(=C(C=N1)Cl)C(=O)NN=CC2=CC=CC=N2 1 1.566 5 1 0 -3.41065137374501 831835 CC1=NN(C(=C1Cl)C(=O)NN=CC2=CN=CC=C2)C 1 1.421 5 1 0 -4.01939499599908 831832 CC1=NN(C(=C1Cl)C(=O)NN=CC2=CC=NC=C2)C 1 1.421 5 1 0 -4.22006159619889 831830 CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2F 1 1.205 2 2 0 -8.87932290998546 831821 C1CC1C(=O)NNC(=O)NC2=CC=C(C=C2)Cl 1 1.537 3 2 0 -5.63387652452189 831813 CCN1C=C(C=N1)C=NNC(=O)C2=CC=C(C=C2)Cl 1 2.346 4 1 -7.10495195648851 831811 COC1=CC=CC=C1N(CC(=O)N2CCCC2)S(=O)(=O)C 1 0.657 2 4 0 -16.2426608876013 831810 CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(N(N=C2)C)C 1 1.668 4 2 0 -0.378056416606058 831809 CC1=NN(C=C1CNC(=O)NC2=CC(=CC=C2)Cl)C 1 2.126 4 1 -1.85966120188706 831806 CC1=CC=CC=C1C=NNC(=O)C2=CC=C(O2)CN3C=CC=N3 1 2.876 4 2 -6.97072297358233 831804 CC(C)(C)C1CCC(=NNC(=O)C2=CC=CO2)CC1 1 2.969 2 2 -10.1572070921591 831798 C1CSCCN1C(=O)NC2=CC=CC=C2 1 1.584 2 1 0 -4.8799116330088 831797 CC1=C(SC=C1)C(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.891 2 3 -8.54636034440755 831789 C1CCN(CC1)C(=O)OC2=CC=CC(=C2)NC(=O)N3CCOCC3 1 1.726 3 4 0 -10.527093047213 831788 CC1=NN(C(=C1Cl)C(=O)NNC(=O)NC2CCCCC2)C 1 1.949 5 2 0 -8.98450899734508 831783 CCN(CC)C(=O)N1CCN(CC1)C(=O)N(CC)CC 1 0.595 4 2 0 -8.05032826919578 831781 C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)N3CCCCC3 1 1.034 4 2 0 -3.97752668437921 831773 CCN1C=C(C(=N1)C)C=NNC(=O)COC2=CC=CC(=C2C)C 1 2.772 4 2 -4.727222480975 831753 CC(=NNC(=O)C1=NN(C=C1)C)C2=CC=C(C=C2)NC(=O)C3CCC3 1 2.076 5 2 0 -9.54826079125629 831746 CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CN3C(=CC(=N3)C)C 1 3.081 3 3 -11.1390428370362 831737 CC1=C(C(=NN1C)C(=O)NC2CCCCC2)[N+](=O)[O-] 1 2.014 4 3 0 -6.0200712630276 831727 CNC1=C(C=C(C=C1)OC)N2C=C(N=C2)C3=CC=C(C=C3)[N+](=O)[O-] 1 3.133 4 3 0 -3.04417160866629 831723 CC1=NN(C(=C1Br)C(=O)NN=CC2=CN=CC=C2)C 1 1.505 5 1 0 -4.42798355354648 831713 CC1=C(C=CC(=C1)OCC(=O)NC2=CC=NC=C2)Cl 1 2.45 2 2 -3.81162150392841 831712 CCN1C=C(C(=N1)C)CNC(=O)NC2CCCCC2 1 2.092 4 1 -12.8040614655197 831709 C1CCC2=C(C1)C(=CS2)C(=O)NN=CC3=CC(=CC=C3)F 1 3.934 2 1 -3.5289230801197 831708 CCN1C(=C(C=N1)C=NNC(=O)C2=C(C=CC(=C2)Cl)OC)C 1 2.475 4 2 -4.11939827687184 831705 CCN1C=C(C=N1)C=NNC(=O)C2=CC=CC=C2Cl 1 2.346 4 1 -9.09806901521183 831704 COC1=C(C=C(C=C1)CCNC(=O)C2=CC=NC=C2)OC 1 1.759 2 3 0 -11.4311786495882 831703 COC1=CC=CC=C1CNC(=O)C2=CC=NC=C2 1 1.454 2 2 0 -10.2722393124896 831701 C1CCC2=C(C1)C(=O)N=C(N2)NC3=NC4=CC=CC=C4O3 1 2.461 4 2 -9.54038425214556 831698 CCN1C(=C(C(=N1)C)C=NNC(=O)C2=CC(=CC=C2)OC)C 1 2.093 4 2 -8.18566795243646 831693 CCC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C=C(N3)COC 1 2.163 5 2 0 -5.84679305782273 831690 C1=CC(=CC(=C1)Cl)C=NNC(=O)C2=CC=C(O2)CN3C=CC=N3 1 3.054 4 2 -5.17038601988644 831687 CCN1C=C(C=N1)C=NNC(=O)C2=CC=C(C=C2)F 1 1.887 4 1 0 -8.21507362161008 831686 CC1=C(C(=NN1CC(=O)NC2=CC=NC=C2)C)[N+](=O)[O-] 1 0.288 5 3 0 -8.98174787373004 831684 CCOC(=O)CC1=CC(=O)N=C(N1)NC2=NC3=CC=CC=C3O2 1 1.361 4 4 0 -11.7022602144587 831669 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(S3)Cl 1 2.12 3 2 -10.349014613216 831664 COC(=O)C1=C(C=CS1)NC(=O)COC2=CC=CC=C2Cl 1 2.923 1 4 -9.56729796465923 831651 CCOC(=O)C1=C(SC(=C1)C)NC(=O)CCC(=O)O 1 0.931 1 5 0 -12.1775693778092 831650 CC1=CC(=C(O1)C)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC 1 2.618 2 3 -5.75704027155876 831646 CCC1=NN=C(S1)NC(=O)CC2=CC=CS2 1 2.004 3 1 -15.5702773861113 831631 CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC4=C(C=C3)OCO4 1 3.308 2 3 3.47308620256565 831630 CC1=C(C=CO1)C(=O)NC2=C(C=C(C=C2)Br)F 1 2.817 1 2 -1.27942941406163 831629 C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC=C3Cl)Cl 1 3.718 1 3 -8.68200308992025 831626 COC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2 1 2.264 1 3 -5.04275864706672 831614 CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C 1 0.573 2 4 0 -17.7565124160585 831609 CC1=C(C=CC(=C1)OCC(=O)NCC2=CC=NC=C2)Cl 1 2.456 2 2 -7.86265869127467 831603 CC1=C(C=CC(=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)OC)Cl 1 4.114 2 3 4.70136012691737 831590 C1CCC2=C(C1)C=CC=C2NC(=O)C3=CC=NC=C3 1 2.977 2 1 -6.84846693236661 831581 CC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)OC 1 4.148 3 1 -2.60762232566706 831568 COC1=CC=CC=C1CNCC2=CC(=C(C=C2OC)OC)OC 1 2.885 1 4 -1.73322287721488 831562 COC1=CC=C(C=C1)C(=S)N2CCCC2 1 3.112 1 1 -3.26738373400907 831507 C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)N 1 2.614 3 1 -11.2685615466554 831466 C1CCN(C1)C(=S)C2=CC=C(C=C2)[N+](=O)[O-] 1 3.023 2 2 -5.36026537513588 831465 CC1=CSC(=N1)NC(=O)CC2=CC=C(C=C2)F 1 2.134 2 1 -5.14473182179663 831463 COC1=CC=CC=C1CNC(=O)C2CCC2 1 2.154 1 2 -8.944060211746 831461 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NN=C(S3)C(C)(C)C 1 3.442 4 2 -12.035751959986 831447 C1COCCN1C(=O)NCCC2=CC=C(C=C2)F 1 1.373 2 2 0 -9.45810014466176 831446 C1CN(CCN1C2=CC=CC=C2F)C(=O)N3CCOCC3 1 1.304 3 2 0 -1.61787984639204 831436 CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C 1 2.846 6 3 0 -12.5008502558461 831434 CCOC(=O)CC1=C(N=C(S1)N)C 1 0.893 2 2 0 -4.76174105124822 831427 CC1=NN(C=C1NC(=O)C2=NN(C=C2[N+](=O)[O-])C)C 1 0.519 6 3 0 -7.77536669114187 831420 CCN1C=C(C(=N1)C(=O)NC2=NC=CS2)Br 1 1.787 4 1 0 -8.1401924694563 831416 C1CC1NC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl 1 3.239 2 3 -3.74947913865028 831415 C1=C(C=C(C=C1[N+](=O)[O-])OCC(F)(F)F)N 1 1.968 2 3 0 -2.72501393122375 831408 C1=CC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)N=C1 1 3.549 2 1 -3.05548640450975 831396 CC(=O)NC1=CC(=C(C=C1)OC)CNC(=O)CN2CCOCC2 1 -0.245 3 4 0 -16.6089565911522 831374 C1CC2=CC=CC=C2N(C3=CC=CC=C31)NC(=O)CC#N 1 3.415 3 1 -9.14977725127328 831370 CCCC1(C(=O)NC(=NC1=O)NC2=CC=CC=C2)CCC 1 3.494 3 2 -3.33841144237858 831366 C1CC(=NC2=C(C=C(C=C2)Br)C#N)N(C1)C3=CC=CC=C3 1 3.876 3 0 -1.76905987652267 831358 CC(=O)C1=C(NC(=NC1=S)C2=CC=CC=C2)N3CCOCC3 1 1.942 3 2 0 -6.28487802248287 831355 COC1=NC(=NC(=N1)NC2CCCCC2)N3CCCCCC3 1 3.602 5 1 -4.2512010665125 831351 CC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)C3=CC4=C(C=C3)N=C(N4)C 1 2.485 4 2 -8.49968425565388 831342 COC1=C(C=C(C=C1)C(=O)NC2CCCCCCC2)OC 1 3.776 1 3 -11.3852755679584 831341 CC(=O)NC1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)NC(=O)C 1 1.521 3 3 0 3.23795960656254 831331 CC(C)C1=CC(=O)OC2=C3CCCN4C3=C(CCC4)C=C12 1 4.278 1 2 -4.96980008210593 831315 C1COCCN1C(=O)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)F 1 2.569 1 4 -11.1875296708657 831255 CC1=CC(=CC=C1)NCC(=O)NN=CC2=CC=C(C=C2)Br 1 3.578 3 1 -5.35568600875973 831238 COC1=CC=C(C=C1)/C=C/2\CCCCC2=O 1 3.209 0 2 -3.80520397693659 831221 C1COCCN1C2=CC=C(O2)C=NNC(=O)C3=CC=CC=C3[N+](=O)[O-] 1 1.947 4 5 0 -7.90176486234376 831220 CC1=CC=C(O1)C(=O)NC2=CC=CC3=CC=CC=C32 1 3.063 1 2 -2.83192971221088 831205 CC1=CC=CC=C1SCC(=O)NN=CC2=C(C(=CC=C2)OC)OC 1 3.53 2 3 -9.6156423914311 831197 COC1=CC=C(C=C1)C(=O)NN=CC(=O)C2=CC=CC=C2 1 2.445 2 3 -4.80123931198706 831190 CC1=NC2=C(C=C(C=C2)OC)C(=C1)NC3=CC=C(C=C3)OC 1 3.816 2 2 6.90790749496285 831168 CC(=NNC(=O)C1=CN=CC=C1)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 1.865 4 3 0 -8.67805710210746 831161 CC1=CC(=CC=C1)OCC(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.773 2 4 -5.69293353483287 831155 CN(C1=CC=CC=C1)C2=CC=C(C=C2)C=NNC(=O)CC#N 1 2.834 4 1 -9.58216562422699 831152 COC1=CC=C(C=C1)NC(=O)ON=C2CCCC3=C2C=C(C=C3)OC 1 3.781 2 4 -2.58574959214075 831124 CC(C)NC(=O)C1=CC2=CC=CC=C2O1 1 2.359 1 2 -5.98226796748573 831114 C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC3=CC=CC=C32 1 3.591 2 1 -2.78853952612875 831090 CC1=CC=C(C=C1)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3F 1 5.472 0 2 2.75574508567757 831076 C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC=CC=N3 1 1.456 3 3 0 -9.31324617452732 831070 C1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)Cl)O 1 3.528 1 2 -2.08883474837193 831044 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3Cl 1 3.764 2 3 -0.193646987220124 831042 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3F 1 3.305 2 3 -1.44916240565994 831041 CCC1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C5C4=C(CC5)C=C3)C2=O 1 4.89 1 2 -3.28913137150875 831039 CC1=CC(=CC=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)C)O 1 3.237 2 3 1.35255914060873 831037 C1CC2=CC=C3C4=C(C=CC1=C24)C(=O)N(C3=O)C5=CC6=CC=CC=C6C=C5 1 4.856 1 2 -1.06897297367825 831035 CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=CO3 1 4.056 1 3 -1.0379742441542 831034 CC1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2C(=O)O)O)C 1 3.594 0 4 -1.20201980088769 831015 CCC1(C(=NC(=O)N(C1=O)C)NC2=CC=C(C=C2)OC)CC 1 2.771 3 3 -0.349398017002894 831001 C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCO)C(=O)O 1 1.356 1 6 0 -8.33791468142064 830993 CCC1=CC=C(C=C1)OCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] 1 3.934 1 5 -7.27108851306532 830992 C1=CC=NC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=N3 1 2.176 4 2 -4.35273901162067 830991 CC(=O)NC1=CC=C(C=C1)OC2=CC(=C(C=C2)NC(=O)C)NC(=O)C 1 0.751 3 4 0 -5.04400501554951 830989 COC(=O)C1=CC(=CC=C1)N2C=NN=N2 1 0.572 4 2 0 -15.9774310372598 830977 C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N 1 2.194 1 3 -10.1961785878996 830970 CC1=CC2=NC(=CN2C=C1)C3=CC4=CC=CC=C4OC3=O 1 3.033 2 2 -3.00768138238159 830963 CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)C4=CC=CO4 1 2.902 4 2 -2.3730756264549 830951 C1CCC(CC1)NC(=O)NC2=CC=CC3=CC=CC=C32 1 3.712 2 1 -8.61295013448945 830943 CC1=C(C=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C)C)C 1 4.805 3 0 1.03897960422324 830942 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(C=CC=N3)O 1 2.246 3 4 0 0.375282995946791 830917 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(NC4=CC=CC=C4C3=O)O 1 3.161 1 4 -1.7314495995616 830915 CC1(OCCCO1)CC(=O)NN=CC2=C(C=CC3=CC=CC=C32)OC 1 1.784 2 4 0 -5.70828469209483 830875 CC1=NN=C2N1C3=CC=CC=C3C(=O)N2C4=CC=CC=C4 1 2.516 4 1 -7.85843875268864 830821 COC1=CC=C(C=C1)CCC(=O)NN=CC2=CC3=C(C=C2)OCO3 1 2.926 2 4 -9.69202876890654 830815 C=C1CC(C1)C(=O)NN=CC2=CC=CC=C2 1 2.288 2 1 -4.02859582611764 830813 CC(=O)NC1=CC=CC2=C1C(=O)N(C2=O)C3=CC(=CC=C3)OC(=O)C 1 1.327 2 5 0 -14.5511646947559 830811 CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C 1 0.679 3 4 0 -14.1642577175497 830809 CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)CC2=CNC3=CC=CC=C32 1 4.412 3 1 -3.79329412159781 830808 CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C 1 2.045 2 3 -11.067735265747 830806 C1CC2=C(C1)SC(=C2C#N)N=CC3=CC(=CS3)Br 1 4.72 2 0 -2.23650222717459 830797 CC1C(=C(NC(=C1C(=O)OC(C)C)C)C)C(=O)OC(C)C 1 2.292 1 4 -16.6405672336574 830785 CC1=CC(=C(C=C1)C(=NNC(=O)C2CC2)C)C 1 2.729 2 1 -4.73734339827779 830784 CC1=CC(=CC=C1)OCC(=O)NN=CC2=CN(C3=CC=CC=C32)C 1 3.504 3 2 -1.72915129352678 830775 C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NC3=NC=C(C=C3)Cl 1 4.227 2 2 -0.444344625710116 830758 C1CN(C(N1C2=CC=CC=C2)C3=CC=CS3)C4=CC=CC=C4 1 5.363 2 0 -7.18860613935706 830694 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC=CC=C3Br 1 4.271 1 1 -3.40561380318189 830691 COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)OC 1 2.709 0 5 -8.39017648300589 830688 CCOC(=O)C1=C(N=C(N=C1NC(=O)C(C)C)C2=CC=CC=C2)C 1 2.947 3 3 -4.98842902477749 830687 CCC(=O)NC1=NC(=NC(=C1C(=O)OCC)C)C2=CC=CC=C2 1 2.484 3 3 -1.38805854343671 830685 COC(=O)C1=CC(=O)C=C(O1)C(=O)OC 1 -2.8e-002 0 6 0 -4.10244583934425 830671 CN1C(N(C2=CC=CC3=C2C1=CC=C3)C)C4=CC=CS4 1 4.623 2 0 -2.00329357640404 830670 CC1N(C2=CC=CC3=C2C(=CC=C3)N1C)C 1 3.041 2 0 1.11871879502373 830669 CCN1C2=CC=CC3=C2C(=CC=C3)NC1=O 1 2.156 2 1 -3.43276840357622 830668 C=CC(=O)N=C1N(C2=CC=CC=C2S1)C3=CC=CC=C3 1 4.423 2 1 -5.72250200360522 830667 COCN1C=NC2=CC=CC3=C2C1=CC=C3 1 1.844 2 1 0 1.33682573666322 830665 CCC1=CC=C(C=C1)OC2=NC(=NC(=C2)C)N 1 3.149 3 1 0.346456095216814 830663 C1CCC(CC1)NC(=O)C2(CCCC2)N3CCC3=O 1 1.903 2 2 0 -14.0298477605489 830656 CC1=CC=C(C=C1)N2C(=NC3=C4C2=CC(=NC4=C(C=C3)C)C)C 1 4.181 3 0 -0.146288480866974 830655 CC1=CC=C(C=C1)N2C=NC3=C4C2=CC(=NC4=C(C=C3)C)C 1 4.102 3 0 1.12046422846224 830652 CCN(CC)C(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C 1 4.5 1 2 -5.9876265021905 830648 CC1=C(SC(=N1)NC(=O)C)C(=O)C 1 0.261 2 2 0 -6.61473202555004 830644 CC1=NN(C(=O)C1)C2=NC(=CS2)C3=CC=C(C=C3)Cl 1 2.731 3 1 1.10035480283399 830638 CCOC(=O)C1=NN(C(=C1C(=O)C)C)C2=CC=CC=C2 1 2.574 2 3 -6.78419990169745 830637 CC(=O)C(=NNC1=CC=CC=C1)OC2=CC=C(C=C2)Br 1 4.081 2 2 0.24831316104552 830636 CC(=O)C(=NNC1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] 1 3.227 3 4 0 -2.21142357179709 830633 CC(=O)C(=NNC1=CC=C(C=C1)OC)OC2=CC=C(C=C2)[N+](=O)[O-] 1 3.211 3 5 0 -2.61301221376744 830610 CC(=O)C(=NNC1=CC=CC=C1)N2CCOCC2 1 1.003 3 2 0 -3.31276975905907 830586 COC1=CC=C(C=C1)C(=O)C(=NNC2=CC(=CC=C2)[N+](=O)[O-])C#N 1 3.208 4 4 0 -3.15901401232348 830566 C1=CC=C(C=C1)C(=O)C(=NNC2=CC=C(C=C2)Cl)C#N 1 3.994 3 1 0.219519440619049 830563 C1=CC=C(C=C1)C(=O)C(=NNC2=CC(=CC=C2)Cl)C#N 1 3.994 3 1 1.16579939393707 830562 C1=CC=C(C=C1)C(=O)C(=NNC2=CC=CC=C2Cl)C#N 1 3.994 3 1 -2.68791282276443 830559 C1CN(C(N1C2=CC=CC=C2)C3=CC=NC=C3)C4=CC=CC=C4 1 4.254 3 0 -4.83637665174429 830550 C1=CC(=C(C(=C1)Cl)NN=C(C#N)C(=O)NN)Cl 1 1.765 5 1 0 -0.320033962618174 830522 CC1=NN2C(=CC=NC2=C1C3=CC=CC=C3)C4=CC=CC=C4 1 3.85 3 0 -1.22454997209097 830518 CC1=C(C=CC(=C1C)N2N=C3C=CC=CC3=N2)N 1 3.398 4 0 -0.435062007545335 830517 C1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)N 1 2.425 4 0 1.5445712896795 830512 C1CCSC2=NN=C(N2C1)C3=CC=C(C=C3)Cl 1 3.533 3 0 -0.214593627655403 830506 C1CN2C(=NN=C2SC1)C3=CC=C(C=C3)Cl 1 2.953 3 0 0.18432663759081 830500 C1CCN(CC1)CCN2C(=NNC2=S)C3=CC(=CC=C3)Cl 1 3.822 4 0 -0.778342537695639 830485 CN1C(=C(SC1=S)C2=NC3=C(N2C)N=CC=C3)N 1 2.131 5 0 -1.34627869350444 830476 CN(CC1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)Cl 1 2.253 2 2 -5.29584021743608 830475 CN(C)C(=O)CC1=C(C=CC2=C1C=CC(=C2)Br)OC 1 2.919 1 2 0.153033658876291 830456 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl 1 1.868 1 4 0 -11.0274174413155 830455 CCC1=CN=C(C=C1)C(=O)NN=CC2=CC=CC3=CC=CC=C32 1 3.812 3 1 -4.7432373856258 830452 CC1=NC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3Cl 1 3.747 2 1 -1.94546130464911 830451 CC1=CC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3N=C2C 1 3.569 2 1 -0.405905545591382 830450 CC1=NC2=CC=CC=C2C=C1C(=O)NCC3=CC=CC=C3 1 3.09 2 1 -6.26110637078754 830442 CC(=O)NC1=NC(=CS1)COC2=CC3=CC=CC=C3C=C2 1 2.638 2 2 -1.43025369640514 830441 C1CC(C1)C(=O)NC2=NC(=CS2)COC3=CC=CC=C3 1 2.943 2 2 -1.17277876808943 830436 CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NC3=NN=C(S3)C)C)C 1 3.402 3 2 -3.90132497832536 830424 CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=NN=C(S3)C 1 2.916 3 2 4.82841968195826e-002 830352 CC(=O)NC(C1=CC(=CC=C1)OCC2=CC=CC=C2)NC(=O)C 1 1.916 2 3 0 -6.4541720879538 830347 CCC1=NC2=CC=CC=C2N1CC3=CC=CC=C3F 1 4.268 2 0 -2.63686796031232 830341 CC1=C(C=C(C=C1)CN2C=NC3=CC=CC=C32)C 1 4.107 2 0 -2.85723214781365 830339 C1=CC=C(C(=C1)CSCC2=NC3=CC=CC=C3N2)F 1 3.876 2 0 -3.83089289203314 830333 COC1=CC=C(C=C1)NC(=O)CC2(CCCC2)CC(=O)O 1 2.234 1 4 -5.01551028644244 830293 CCN1C2=C3C(=C(C=C2)NC(=O)C4=CC=CC=C4)C=CC=C3C1=O 1 3.032 2 2 -9.70221213535383 830275 CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)C3=CC=CC=C3OC)C 1 3.32 1 4 -3.08385258426819 830238 CC(=O)N1CN(CC2=C1SC3=C2CCCC3)C4CCCC4 1 3.602 2 1 -7.84295330504417 830219 CN1CCN(CC1)NS(=O)(=O)C2=CC=CS2 1 0.198 3 2 0 -4.02718902434817 830207 CC(C)C1=NC2=CC=CC=C2N1CC3=CC=CC=C3OC 1 4.508 2 1 -5.84503457811457 830193 CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC4=CC=CC=N4)C#N 1 4.404 5 0 -9.71077672501997 830186 C1CCN(CC1)C2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)Cl 1 3.346 5 0 2.43577537526304 830177 CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC4=CC=CC=N4)C#N 1 4.609 5 0 -9.34626932003045 830161 C1CC2=C(C1)SC(=C2C(=O)NCCC3=CC=CC=C3)N 1 2.909 2 1 -8.33640188360382 830157 CC(=NNC(=O)CN1CCN(CC1)C2=CC=C(C=C2)F)C3=CC=CO3 1 2.235 4 2 9.27496544629126e-002 830153 CN1C2=CC=CC=C2N(C1=O)CC#N 1 0.835 3 1 0 -7.85249144681578 830148 CSC(=NNC(=O)C1=CC=CC=C1O)SC 1 2.632 2 2 -0.873289595504338 830136 CCOC(=O)CN1C2=CC=CC=C2N=C(C1=O)C3=CC=CC=C3NC 1 2.578 3 3 -12.200650693348 830135 CN1CCN(CC1)NC(=S)NC2CCCCC2 1 2.115 4 0 -5.2792692859037 830122 C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C(F)(F)F 1 3.468 0 2 4.26420270822347 830119 CC1=CC2=C(C=C1)OC(=CC2=O)C(Cl)(Cl)Cl 1 3.636 0 2 0.988262311655165 830086 CC(C)C=NNC1=NC(=CS1)C2=CC=C(C=C2)Br 1 3.861 3 0 2.85560679726793 830081 CCOC(=O)C1=CC=CC=C1NN=C(C(=O)C)C(=O)C 1 1.711 2 4 0 -5.74686915840248 830058 CC1=C(C2=C(O1)C=CC(=C2)OCC(=O)N)C(=O)OC(C)C 1 1.698 1 5 0 -12.0112639155759 830048 CC(=NNC(=O)C1=CC=NC=C1)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] 1 1.865 4 3 0 -7.41221990203742 830047 CC1=CC2=C(C=C1)N=C(C=C2C)SCC(=O)NN=CC3=CC=CO3 1 4.169 3 2 -4.66089480112391 830042 CC1=CC(=NC2=CC=CC=C12)SCC(=O)NN=CC3=CC=CO3 1 3.683 3 2 -5.22323144682535 830036 C1=CC(=C(C=C1Cl)Cl)N2NC3=C(NN=C3N2)N 1 1.915 6 0 0 2.60213895488718 830029 CC(C)N1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C 1 2.409 5 2 0 -12.6307747522358 830027 CC1=CC=C(C=C1)C(=O)/C=C\2/NC(=O)CS2 1 2.173 1 2 -5.52195861312266 829993 CC1=CC=CC=C1N2C(=C(C(=O)NC23CCCCC3)C#N)S 1 3.875 3 1 -1.23471642687017 829984 C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(=O)O 1 4.297 2 2 9.39203855107285 829982 CC1=CC(=CC=C1)N2C(=C(C(=O)NC23CCCCC3)C#N)S 1 3.875 3 1 8.13401676241182e-002 829973 C1=CC=C(C=C1)S(=O)(=O)NC(=O)COC2=CC=CC=C2C(=O)N 1 1.027 2 5 0 -10.9216713455899 829972 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)COC2=CC=CC=C2C(=O)N 1 1.513 2 5 0 -9.85724870934139 829964 CC1=CC(=NN1C2=NC(=CS2)C3=CC(=CC=C3)Cl)C 1 4.093 3 0 5.1017521200682 829962 CC1=CC(=C(O1)C)C(=O)NC2=CC=C(C=C2)CC(=O)O 1 1.674 1 4 0 -9.87632444324335 829959 C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=CN4C=CC=CC4=N3 1 2.095 3 2 -11.8205694920245 829956 C1=CC=C(C(=C1)OCC2=NC(=NO2)C3=CC=NC=C3)Cl 1 2.494 3 2 3.01577206979388 829955 C1=CC=NC(=C1)C2=NOC(=N2)C3=CC=CO3 1 1.818 3 2 0 4.52842426521473 829953 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=CN3C=CC=NC3=N2 1 1.947 4 2 0 -9.54366015308093 829950 CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=CN3C=CC=NC3=N2 1 1.249 4 2 0 -5.10177100224897 829946 C1=CC=C(C=C1)CC2=NC(=C(O2)NCC3=CC=CC=C3Cl)C#N 1 4.175 3 1 -8.08695886722758 829942 CC(C)CNC1=C(N=C(O1)C2=CC=CO2)C#N 1 2.48 3 2 -4.63288330998471 829936 C1=CC=C(C=C1)CC2=NC(=C(O2)NCC3=CC=CC=C3)C#N 1 3.511 3 1 -8.40902760895288 829934 C1CCN(C1)C2=C(N=C(O2)CC3=CC=CC=C3)C#N 1 2.742 3 1 -7.54213530020029 829926 C1=CC=C2C(=C1)NC(=N2)CCC(=O)NC3=CC=C(C=C3)F 1 2.812 3 1 -7.14084421639357 829924 C1=COC(=C1)CN2C(=NN=C2SCC(=O)N)C3=CC=CS3 1 1.98 4 2 0 -13.8114268596525 829898 C1=CC2=NC=CN=C2C=C1C(=O)NC3=NC=C(C=C3)Br 1 2.215 4 1 -5.75585575400918 829897 C1=CC2=NC=CN=C2C=C1C(=O)NC3=NC=C(C=C3)Cl 1 2.131 4 1 -1.66599799888477 829895 CC1=NC(=CC=C1)NC(=O)C2=CC3=NC=CN=C3C=C2 1 1.749 4 1 0 -2.83100769771082 829894 CCC1=CC=C(O1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N 1 1.597 2 4 0 -12.002153242545 829892 CCC1=CC=C(O1)CCC(=O)NC2=CC=CC=C2C(=O)O 1 2.521 1 4 -9.84288946942195 829881 CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CS3 1 3.938 3 0 -3.71609682732158 829880 C1=CC=C(C=C1)N2C(=NN=C2SC(F)F)C3=CC=CS3 1 4.76 3 0 -4.76599864340683 829874 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)COC2=CC=CC=C2 1 2.511 1 4 -7.51779328743608 829872 CC1=CC=C(C=C1)S(=O)(=O)NC(=O)COC2=CC=CC=C2C 1 2.997 1 4 -7.14099861025728 829866 CCC(CC)C1=NC(=C(O1)NCC2=CC=CC=C2)C#N 1 3.854 3 1 -7.94971685427883 829863 CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=CSC(=N2)C 1 2.307 2 2 -7.29771700459199 829860 C1=CC=C2C(=C1)NC(=N2)CCC(=O)NN 1 0.332 4 1 0 -6.46512629150083 829857 CC(C)N1C2=CC=CC=C2N=C1NC3=CC(=CC=C3)OC 1 3.715 3 1 1.15799977549089e-002 829856 CN1C2=CC=CC=C2N=C1NC3=CC=CC=C3OC 1 2.989 3 1 -0.214969211311697 829853 CCCN1C2=CC=CC=C2N=C1NC3=CC=CC=C3C 1 4.364 3 0 -1.45825019293528 829850 CCOC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N2C 1 3.338 3 1 0.608968761990119 829849 COC1=C(C=C(C=C1)/C=C(/C#N)\C(=O)NC2=CC=C(C=C2)O)C(=O)O 1 2.293 2 5 0 -12.8553947649717 829848 CCC1=CC=CC=C1NC2=NC3=CC=CC=C3N2 1 3.742 3 0 3.15495705933087 829845 CN(C)S(=O)(=O)C1=CN=C(C=C1)N2CCOCC2 1 -0.435 3 3 0 -5.19538222928905 829843 CCN(CC)S(=O)(=O)C1=CNC(=O)C=C1 1 -0.805 2 3 0 -10.9640564475217 829842 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)OC(C)C 1 1.743 2 3 0 -11.5940635099779 829840 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)OC 1 1.016 2 3 0 -11.7524653371441 829837 CCN(CC)S(=O)(=O)C1=CN=C(C=C1)NCC2=CC=CC=C2 1 1.952 3 2 0 -12.4028183375912 829835 CC(C)N(C(C)C)S(=O)(=O)C1=CN=C(C=C1)OC(C)C 1 2.497 2 3 -6.07914634176553 829832 CN1CCN(CC1)S(=O)(=O)C2=CNC(=O)C=C2 1 -1.546 3 3 0 -12.5669823641806 829823 CC1=CC2=C(C=C1)N=C(O2)C3=CN=CC=C3 1 2.616 2 1 8.0578393368718 829822 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)F 1 2.398 2 3 -16.2380815294889 829820 C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3 1 2.192 2 3 -18.1857413334927 829818 CC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 1 1.297 2 3 0 -12.3364999698488 829791 CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=CC=C3 1 3.585 0 4 -8.73392955199259 829788 C1=CC=C2C(=C1)N=C(S2)CCCC(=O)O 1 2.476 1 2 -4.62634059278302 829783 C1=CC=C(C(=C1)CN2C3=CC=CC=C3OC2=O)Cl 1 3.794 1 2 1.25817161444837 829781 CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CN=CC=C3 1 2.513 4 1 -8.07124266849196 829766 CC(C)CN(CC(C)C)C(=O)CC1=COC2=C1C3=CC=CC=C3C=C2 1 4.874 1 2 -6.4262232698854 829764 CCN(CC)C1=CC2=C(C=C1)OC(=O)C(=N2)C 1 2.34 2 2 -6.84842749664502 829752 C1CCN(C1)C(=O)CC2=COC3=C2C4=CC=CC=C4C=C3 1 2.951 1 2 -5.86080629609195 829751 CCCN(CCC)C(=O)CC1=COC2=C1C3=CC=CC=C3C=C2 1 4.235 1 2 -5.75801053059983 829746 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=CC=CC=C4OC3=O 1 1.025 4 3 0 -7.8278024852314 829745 C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3Cl 1 1.66 4 1 0 -2.80481740907929 829739 C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC=C(C=C2)Br 1 4.243 2 1 -9.54585231338176 829712 C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O 1 2.578 3 5 0 -1.71099825680551 829698 C1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=CC=C3F 1 3.754 1 3 -5.48765847215167 829695 C1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=C(C=C3)F 1 3.754 1 3 -3.16952305767771 829694 CC1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)OC 1 4.602 1 2 1.35410547370345 829683 C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=CC=N3 1 1.788 2 3 0 -7.26895988153645 829673 CC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)C(C)(C)C 1 3.084 3 2 -5.3700649697351 829661 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NCC3=CC=CO3 1 1.817 1 5 0 -15.7669382723446 829644 CN1C=NC2=C1C=CC(=C2)NCC3=CC=CC=C3O 1 2.701 3 1 4.40977334332809 829612 CC1=CC=C(C=C1)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl 1 4.04 2 2 -0.443477837441435 829610 C1CCC2=C(CC1)SC3=C2C(=O)N(C=N3)N4C=CC=C4 1 3.507 3 1 -13.2360896267479 829609 C1=CC(=C(C=C1[N+](=O)[O-])C=NNC(=O)C2=NC=CN=C2)Cl 1 1.369 5 3 0 -7.53820190664227 829604 CC(=NNC(=O)C1=NC=CN=C1)C2=CC=NC=C2 1 -0.36 5 1 0 -11.4796520220815 829590 C1COCCN1C(=O)/C(=C/C2=CC(=CC=C2)OC3=CC=CC=C3)/C#N 1 2.798 2 3 -10.0160069710935 829587 C1CN(CCN1CN2C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CC=N5 1 3.037 4 1 3.73945552160687 829586 C1CC2=C(C=C(N2C3=CC=C(C=C3)O)C4=CC=CC=C4)C(=O)C1 1 4.665 1 2 2.9593664404175 829569 CC1=C(C(=NO1)C)CSC2=NC=NC3=C2C4=C(S3)CCCCC4 1 4.498 3 1 -19.0546879280869 829567 C1=CC=C(C(=C1)C=NNC(=O)C2=CC=NC=C2)C(=O)O 1 1.162 3 3 0 -6.50830756961668 829566 CN1C=CC=C1CC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl 1 2.868 4 3 0 -6.7959880877284 829559 CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=CC=C(C=C3)C(=O)O 1 0.186 3 2 0 1.38898042689571 829546 C1COCCN1C(=NC2=CC(=CC=C2)Cl)C3=CC=CC=C3Cl 1 4.097 2 1 -0.496047109741535 829545 C1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)N)N 1 1.954 4 1 0 -5.53418114180112 829543 CC1=NN(C(=C1)N)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Cl 1 3.721 5 0 4.79786975576939e-002 829542 CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)C 1 3.093 3 1 -10.8545559834459 829521 C1=CC=C2C(=C1)C=NN3C2=NC4=CC=CC=C4C3=O 1 2.514 3 1 -3.10218291436925 829517 CC(=O)N1CCC2=C1C=CC(=C2)NN=C3C(=O)CCCC3=O 1 1.414 3 3 0 -16.3055817623062 829514 CC1(CC(=O)C(=NNC2=CC3=C(C=C2)N=CS3)C(=O)C1)C 1 2.555 3 2 -11.0702935359025 829512 CC1=NC2=CC=CC=C2C(=O)N1C3=CC=NC=C3 1 1.461 3 1 0 -5.55501228199947 829511 C1CN\2CCC1C(=O)/C2=C/C3=CC4=C(C=C3Cl)OCO4 1 2.538 1 3 1.61761294095711 829510 C1CN\2CCC1C(=O)/C2=C\C3=CC4=C(C=C3Cl)OCO4 1 2.538 1 3 1.61761294095711 829499 CC(C)(C)C1=NN=C(N(C1=O)N)SCC(=O)C2=CC=CC=C2 1 2.862 4 2 -10.0566650165443 829492 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CO3)C4=NC=CS4 1 2.668 3 2 -2.46434385967626 829489 CC1=C(N=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4 1 3.546 3 2 -3.28979174422871 829486 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CO3)C4=CC=CC=N4 1 3.059 3 2 -3.26669294210535 829482 CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCC3=CC=CO3)C 1 2.274 3 3 -22.618457582681 829467 C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 2.801 2 3 -12.2219402570252 829463 C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 2.341 2 3 -10.6172260661521 829454 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4 1 3.109 3 2 -5.5157338109737 829444 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=NC=C3 1 2.232 3 3 -9.09732210118586 829440 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=NC=C4 1 3.611 3 1 -3.01095467713474 829438 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=N4)C 1 4.433 3 1 -2.38295814367912 829437 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=N4)C 1 4.637 3 1 -4.05036492465025 829436 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=N4 1 4.15 3 1 -3.8389695281931 829429 CC1=NC(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4 1 3.947 3 1 -2.83759096267292 829428 CN1CCC(=NNC2=C3C4=C(CCCC4)SC3=NC=N2)CC1 1 3.148 5 0 -3.73736264299314 829417 CC1=CC=C(C=C1)N2C(=NN=C2C3=CC=CS3)C4=CC=CC=C4 1 5.266 3 0 2.06853194643166 829415 CC1=C(C(=O)C=CC1=NOC(=O)/C=C/C2=CC=CC=C2)C 1 3.603 1 3 0.291660520139321 829409 CC1=CC=C(C=C1)N2C(=NN=N2)C3=CC=CC=C3Br 1 3.876 4 0 -4.17584673515648 829401 CC1(CC(=O)C(=NNC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)C1)C 1 3.99 2 2 -5.32321298523715 829400 CC1(CC(=O)C(=NNC2=CC(=C(C(=C2)Cl)Cl)Cl)C(=O)C1)C 1 4.465 2 2 -5.91602243913763 829389 CC1=CC(=CC=C1)N2C(=CC(=C2C)C=C(C#N)C#N)C 1 3.669 3 0 0.264378687770212 829386 CC1(CC(=O)C(=NNC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)C1)C 1 4.465 2 2 -4.28817555366684 829373 CC1=CC=CC=C1OC(=O)C2=CN=CC=C2 1 2.597 1 2 -6.92978178755676 829367 COC1=CC=CC(=C1)NC(=O)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.413 2 5 0 -4.16046944093129 829359 COC1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O 1 2.557 1 2 -3.82024757424289 829356 C1C2=CC=CC=C2C(=S)N1C3=CC=CC=C3 1 4.093 1 0 -1.64323575309775 829354 CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)N3CCCC3)C 1 2.175 3 2 -17.6513974036772 829349 CC1=C(C(=CC=C1)N2C(=NNC2=S)C)C 1 2.986 3 0 -2.23062152968473 829334 CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1N 1 1.933 3 1 0 -5.54987500428067 829324 C1=CC(=CC=C1C=NNC(=S)N)C(F)(F)F 1 2.742 3 0 0.177568661171659 829315 CC1CCN(CC1)C(=S)NC(=O)C2=CC=CS2 1 3.57 2 1 -15.2084993794826 829296 C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=CC=N3 1 3.048 2 1 -4.70597743371102 829294 CC1=C(SC=C1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3 1 4.572 1 1 9.31298851025916e-002 829260 CC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)C)C(=O)N1N 1 2.836 3 1 -1.98239476059865 829241 COC1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=C(C=C3)C(=O)OC 1 3.674 2 3 -5.81305067422423 829194 CCN(CC)C1=CC(=CC=C1)OC2=NS(=O)(=O)C3=CC=CC=C32 1 3.703 2 3 -1.31464511899905 829184 CC1=CC=C(C=C1)C=NNC(=S)N2CCOCC2 1 2.941 3 1 -10.0936322290885 829182 C1COCCN1C(=S)NN=CC2=CC=C(C=C2)Cl 1 3.119 3 1 -8.27163353850164 829181 C1COCCN1C(=S)NN=CC2=CC=CC=C2 1 2.455 3 1 -10.2655760461728 829179 CCN(CC)C1=CC=C(C=C1)C=NNC(=S)NCC2=CC=CC=C2 1 4.674 4 0 -12.1702134402724 829178 C1=CC=C(C(=C1)C=NNC(=S)NCC2=CC=CO2)Cl 1 3.661 3 1 -6.89305438629414 829176 CC(=NNC(=S)NCC1=CC=CO1)C2=CC=C(C=C2)OC 1 2.96 3 2 -10.9939554171814 829173 CN(C)C1=CC=C(C=C1)C=NNC(=S)NCC2=CC=CO2 1 3.159 4 1 -11.2154993487767 829165 CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C(\C#N)/C(=O)NCC3=CC=CO3 1 2.126 4 2 -17.423032024444 829155 C1CN\2CCC1C(=O)/C2=C/C3=CC=NC=C3 1 0.954 2 1 0 4.84174681411026e-002 829154 C1CN\2CCC1C(=O)/C2=C\C3=CC=NC=C3 1 0.954 2 1 0 4.84174681411026e-002 829152 CC1=NC2=C(S1)C=C(C=C2)NN=C3C(=O)CCCC3=O 1 2.358 3 2 -6.0830366855456 829146 CC1(CC(=O)C(=NNC2=CN=CC=C2)C(=O)C1)C 1 1.321 3 2 0 -9.56192931981874 829142 CCCN1C2=C(C(=O)OC3=CC=CC=C32)N=N1 1 2.725 3 2 -8.21146997375709 829127 CC1=C(C=C(C(=C1)O)C(C)C)NC2=NS(=O)(=O)C3=CC=CC=C32 1 3.634 2 3 -2.14500070620054 829114 C1COCCN1C(=O)CSC2=NC=NC3=C2NC=N3 1 -0.204 5 2 0 -13.7150129401851 829078 CC1=C(SC(=C1C#N)NC(=O)C2=CC=CO2)C(=O)N3CCCCC3 1 2.784 3 3 -17.0075832439224 829077 CC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2)C(=O)N3CCCC3 1 2.932 3 2 -18.3546146954504 829075 CC1=C(SC(=C1C(=O)OC)NC(=O)C)C(=O)N2CCOCC2 1 0.471 2 5 0 -19.6997481890124 829074 CC(=NNC(=O)C1=NNC(=O)C=C1)C2=CN=CC=C2 1 -0.398 5 2 0 -16.1930412977505 829070 CC1=CC(=C(C=C1)CN2CCN(CC2)N=CC3=CC=CO3)C 1 3.472 3 1 3.4320152652767 829059 COC1=CC=CC=C1/C=C\2/C(=NO)C3CCN2CC3 1 2.156 2 2 1.70726092867429 829037 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(C)C 1 2.31 2 2 -13.3105372682001 829012 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CS2)C#N)C 1 3.122 3 2 -20.3294268418214 829010 CCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC=C2)C)C(=O)OC 1 2.821 2 4 -16.0501302019691 829009 CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C(C)C)C#N)C 1 2.634 3 2 -23.0334640571413 828997 CC1=C(SC(=C1C#N)NC(=O)C2=CC=CO2)C(=O)N3CCCC3 1 2.327 3 3 -16.6531147297543 828996 CC1=C(SC(=C1C#N)NC(=O)C(C)C)C(=O)N2CCOCC2 1 1.624 3 3 0 -22.8137189315497 828995 CC1=C(SC(=C1C#N)NC(=O)CCl)C(=O)N2CCOCC2 1 1.027 3 3 0 -20.4137296276292 828987 CSC1=CC=CC(=C1)NCC2=CC=C(C=C2)[N+](=O)[O-] 1 3.658 2 2 0.101063451806478 828985 CCC1=C(C(=NN1)C(=O)NN=CC2=CC=NC=C2)C 1 1.703 5 1 0 -7.72603720260024 828968 CC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3 1 3.954 2 2 -5.49966336780769 828966 CCOC(=O)C1=C(C(=C(S1)N)C(=O)NC2=CC=CC=C2OC)C 1 2.62 2 4 -10.6030769805811 828956 CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)C)[N+](=O)[O-] 1 2.581 2 5 0 -11.0806218456912 828954 CC1=NC(=C(C(=C1)COC)C#N)N2CCN(CC2)CC3=CC=CC=C3 1 2.886 4 1 -0.598687885187779 828953 CC1=NC(=C(C(=C1)COC)C#N)N2CCN(CC2)C3=CC=CC=C3 1 2.975 4 1 -1.50438682463302 828950 C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CC#N 1 1.004 5 2 0 0.548622243382622 828944 CC1=C(C(=CC=C1)NC(=O)CN2C(=NC=C2[N+](=O)[O-])C)C 1 1.811 4 3 0 -9.93335578970258 828910 CCOC(=O)C1=C(SCC1=O)NC2=CC=C(C=C2)Cl 1 3.107 1 3 -5.41384253102279 828906 CCOC(=O)C1=C(SCC1=O)NC2=CC=C(C=C2)C 1 2.929 1 3 -7.2358412216096 828883 C1=CC=C(C=C1)C2=C(NC(=N2)C3=CC=C(C=C3)C(=O)O)C4=CC=CS4 1 4.982 2 2 1.46670855084659 828855 C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=CC=CC=N3 1 3.022 3 1 -7.64540703855119 828820 C1CN(CCN1CC2=CC(=CC=C2)F)C(=O)C3=CC=CO3 1 2.385 2 2 1.21987424440185 828806 COC1=CC=CC(=C1OC)CN2CCN(CC2)C(=O)C3=CC=CO3 1 2.147 2 4 -2.7431771948963 828796 C1CCC(C1)N2CCN(CC2)C(=O)CC3=CC=CC=C3 1 2.638 2 1 -4.95016484527651 828791 CN1C=CC=C1CN2CCN(CC2)C(=O)COC3=CC=CC=C3 1 1.997 3 2 0 -8.41036428192663 828760 COC1=CC(=C2C=CNC2=C1)OC 1 2.09 1 2 -1.22854044030665 828759 C1CN(CCN1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 1 0.845 3 3 0 -14.9079199208136 828758 COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CN=CC=C3 1 1.32 3 3 0 -12.8174086613783 828755 CS(=O)(=O)N1C(=NC(=N1)C2=CC=CC=C2)NCC3=CC=CO3 1 1.633 4 3 0 -5.11198391316948 828752 CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=CO3)SC 1 3.532 3 3 -1.86962662740411 828750 CSC1=NC(=NN1S(=O)(=O)C)C2=CC=CO2 1 1.469 3 3 0 -1.09579668771938 828749 C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O 1 0.748 2 4 0 -6.02183867635373 828748 CCS(=O)(=O)N1C(=NC(=N1)C2=CC=CO2)N 1 0.529 4 3 0 8.26466114361391e-003 828747 CCS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)C)N 1 1.62 4 2 0 -0.172093612129583 828746 CCS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)N 1 1.118 4 3 0 -0.585059821273722 828743 CCS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)N 1 1.798 4 2 0 1.64990507845724 828742 CCS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)SC 1 3.087 3 2 -0.332697976860417 828741 CCS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)SC 1 2.406 3 3 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CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC=C)O 1 3.853 2 3 -4.85647296565893 827969 CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=C(C=C3)C 1 3.586 2 3 -0.116208056411307 827966 CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC(=C3)C 1 4.109 2 3 0.772867477927528 827945 COC1=CC(=CC(=C1OC)OC)C=C2C(=O)C3=CC=CC=C3C2=O 1 3.187 0 5 -4.48143700773071 827944 CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CC=C3 1 3.778 0 4 -10.5118974405894 827943 CN1C2=C(C3=CC=CC=C3C=C2)N=C1CO 1 2.048 2 1 5.13659148048639 827929 COC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N3CCOCC3 1 2.482 1 4 -6.98588811132175 827928 CC1=NC2=CC=CC=C2N1N=CC3=CC=C(O3)[N+](=O)[O-] 1 2.871 4 3 0 4.39886139958356 827925 CN1C2=CC=CC=C2N(C1=O)N=CC3=CC=CC=C3 1 2.75 3 1 -4.91522831681184 827916 CCCN1C2=CC=CC=C2N(C1=O)N 1 1.279 3 1 0 -5.5987796352705 827914 C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N2N 1 2.308 4 0 -0.607969262803281 827912 CNC1=NC2=CC=CC=C2N1N 1 0.731 4 0 0 -3.45381933022348 827911 CCCC(=O)NCCC1=CC(=C(C=C1Br)OC)OC 1 3.117 1 3 -17.8258985474804 827909 CC1=NC2=CC=CC=C2C(=O)N1N=C(C)C3=CC=C(C=C3)N 1 1.914 4 1 0 -5.55059766329089 827908 COC1=CC=CC=C1C(=O)NC2=CC3=C(C=CC(=C3)Cl)OC2=O 1 3.036 1 4 -5.29986086140559 827906 C1=CC=C(C=C1)C2=CC3=C(C=CC(=C3)Cl)OC2=O 1 4.042 0 2 7.48249325622987 827904 COC1=CC=CC=C1C(=O)NC2=CC3=CC=CC=C3OC2=O 1 2.372 1 4 -9.18226875183907 827898 CC1=NC(=NN1)SCC2=CC(=C(C=C2)O)[N+](=O)[O-] 1 2.149 4 3 0 -1.96664558529599 827892 CC1=CC=CC=C1OCC2=NC3=CC=CC=C3C(=O)N2N 1 2.323 3 2 -5.58819281121991 827887 C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)NC4=CC=CC=C4 1 3.135 5 0 1.4951813193667 827882 CC1=C(C=C(C=C1)NCC2=NC3=CC=CC=C3N2C)C 1 4.109 3 0 1.54122719140212 827877 CC1=NC(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4 1 3.342 3 2 -1.62238496325757 827875 CCC(=O)NC1=CC=CC2=C1C(=O)N(C2=O)C 1 0.649 2 3 0 -8.76180308394174 827863 CC1=CC=C(C=C1)C2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)O2 1 5.223 1 2 -3.95706656495326 827848 CCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1N 1 2.795 3 1 -2.63393362000615 827837 C1CN(C2=NC3=CC=CC=C3N21)C(=O)C4=CC=C(C=C4)Cl 1 3.566 3 1 -1.20822681992246 827833 CCC1=C(C(=CC=C1)CC)NC(=O)CON=C(C)C2=CC=CS2 1 4.15 2 2 -8.80664798555319 827832 CCOC(=O)C1=C(C2=CC=CC=C2S1)OC(=O)C3=CC=CC=C3 1 4.619 0 4 -5.46002452002241 827818 C1=CSC(=C1)C2=CSC3=C2C(=O)OC(=N3)C4=CC=CS4 1 4.352 1 2 -6.76070191816521 827813 CCOC1=CC=CC=C1C(=O)NN2C(=O)CCC2=O 1 0.579 2 4 0 -11.8383030905088 827794 CC1=CC2=C(S1)N=C(OC2=O)C3=CC(=CC=C3)Br 1 3.821 1 2 -1.84211820123138 827787 CC(C)COC(=O)C1=CC(=O)NC2=CC=CC=C21 1 2.259 1 3 -11.6528889179954 827782 C1=CC=C(C=C1)C(=O)NNC2=NC(=CS2)C3=CC=C(C=C3)C#N 1 2.822 4 1 -0.371610620485535 827781 CC1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)C3=CC=CC=C3 1 3.43 3 1 2.25412852918515 827780 C1=COC(=C1)C(=O)NNC2=NC(=CS2)C3=CC=C(C=C3)Cl 1 3.003 3 2 4.75892985189525 827779 C1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)C3=CC=CO3 1 2.339 3 2 2.36502051846845 827777 CCC1=CC2=C(S1)N=C(OC2=O)C3=CC=C(C=C3)F 1 3.945 1 2 -5.38255674941606 827749 CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)O 1 3.444 1 3 -10.5504714712346 827729 C1CCN(CC1)NC(=O)C2=CC=CC3=CC=CC=C32 1 2.577 2 1 -3.57997597236961 827728 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CNC3=CC=CC=C32 1 3.836 4 1 -6.62297265710204 827719 CC12CN(CC(C1=O)(CN(C2)CC3=CC=CC=C3)C)CC4=CC=CC=C4 1 3.864 2 1 -1.46638807016349 827716 CCOC(=O)C1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)C)C 1 3.934 2 3 -9.3532772365488 827715 CCOC(=O)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C 1 3.448 2 3 -9.47839209907367 827714 CCOC(=O)C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C 1 3.448 2 3 -7.69202354100606 827711 CC1=CC(=CC=C1)N2CCN(C2C3=CN=CC=C3)C4=CC=CC(=C4)C 1 5.226 3 0 -2.97138825652409 827696 CC(=O)C1=CC=C(C=C1)NC(=O)CON=C(C)C2=CC=CS2 1 2.005 2 3 -10.5158470213251 827695 CC(=NOCC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=CS2 1 1.895 2 4 0 -10.7796202604282 827694 CC1=CC(=C(C=C1)NC(=O)CON=C(C)C2=CC=CS2)C 1 3.238 2 2 -9.93343487016563 827692 CC(=NOCC(=O)NC1=CC=C(C=C1)OC)C2=CC=CS2 1 2.249 2 3 -7.51301703369565 827691 CC(=NOCC(=O)NC1=CC=CC=C1)C2=CC=CS2 1 2.266 2 2 -7.42514213808469 827688 CC(=NOC(=O)C1=CC=C(C=C1)OC)C2=CC=CS2 1 3.061 1 3 -3.23260027216383 827681 C1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)NC3=NC=CS3 1 3.208 3 1 -0.41324237432355 827673 CC1=CC=C(C=C1)C(=O)ON=C(C)C2=CC=CS2 1 3.564 1 2 -2.89067701165474 827603 COC1=CC=CC(=C1)C(=O)NN2C3=CC=CC=C3CCC4=CC=CC=C42 1 5.003 2 2 -6.24638732614118 827614 C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3 1 2.899 2 2 -12.1510280886839 827623 C1N(CCN(C1)C(=O)/C=C/C2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3 1 3.06 2 2 -3.97310922537776 827650 CC1=CC=C(C=C1)N2CCN(C2C3=CN=CC=C3)C4=CC=C(C=C4)C 1 5.226 3 0 -4.92843287956859 827644 C1=CC(=CC=C1N)N2C=NC3=C2C=CC(=C3)[N+](=O)[O-] 1 2.275 4 2 3.05910948258369 827641 CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OC 1 3.084 1 2 -5.00543754981423 827636 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C=C/C3=CC=CS3 1 2.128 3 2 -16.5977492727343 827598 CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 1 2.986 3 1 -2.52377978067952 827569 C1COCCN1C(=O)CC2=CC=CC=C2[N+](=O)[O-] 1 0.86 2 4 0 -13.7478160811265 827568 CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)OC 1 0.71 2 4 0 -8.62119778334818 827567 CC1=NC(=CC=C1)N=CC2=CC=CC=N2 1 2.375 3 0 7.01188034809603 827566 CCSC1=C(C=C(C=N1)C)[N+](=O)[O-] 1 2.489 2 2 -5.46048136581888 827562 C1CNC2=CC(=C(C=C21)Br)[N+](=O)[O-] 1 2.356 2 2 -3.86294726961305 827535 COC(=O)C1=C(C(=NN1)C2=CC=CC=C2)C3=CC=CC=C3 1 3.886 2 2 -0.912903898525091 827533 CC(C)(C)OC(=O)C1=NNC(=C1C2=CC=CC=C2)C(=O)OC 1 3.154 2 4 -8.20967603942709 827523 CCOC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3 1 4.214 2 2 -6.17501119349474 827521 CC1=C(C(=CN1C2=CC=CC=C2)C(=O)OC)C(=O)OC 1 2.562 1 4 -3.98251437929031 827520 C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)C(=O)O 1 1.744 2 4 0 1.08308981467805 827499 COC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3 1 3.858 2 2 4.88454225804782 827481 C1=CC=C2C(=C1)N=C3N2C=C(C=C3)[N+](=O)[O-] 1 2.23 3 2 -1.12994795017543 827480 COC(=O)C1=C(ON=C1C2=CC=CC=C2)C3=CC=CC=C3 1 3.896 1 3 -2.24589906407078 827454 C1=CC=C(C=C1)CN2C(=C(N=N2)C3=CC=CC=C3)N 1 2.92 4 0 -4.71562475935875 827440 CC1=CC(=NO1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N 1 0.676 3 4 0 -18.7787221537743 827439 CCOC(=O)C1=CC2=C(C=C1)NC3=C2CCCC3 1 3.71 1 2 -0.372861488260404 827419 CN(C)C1=NC(=NC(=N1)N(CCCl)C#N)N(C)C 1 0.732 7 0 0 -4.79422237850036 827417 C1=CC=C(C=C1)OCC2=NC(=NC(=N2)N)N 1 0.949 5 1 0 -2.55064717410982 827414 CCNC1=NC(=NC(=N1)Cl)N(C(C)C)NC(=O)C 1 0.966 6 1 0 -7.11702417071317 827409 CCNC1=NC(=NC(=N1)ON=C(C)C)NC(C)C 1 1.191 6 1 0 -7.75269630912992 827408 CCNC1=NC(=NC(=N1)N(C)N)NCC 1 -0.277 7 0 0 -3.47670940428578 827324 CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4OC 1 3.496 4 1 -0.524755330485988 827296 C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC=CC=C3[N+](=O)[O-] 1 2.427 3 3 -6.49631721240498 827252 C1=CC=C2C=C3C(=CC2=C1)C=CC=C3C(=O)N 1 2.649 1 1 -9.80276387845861e-002 827203 CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N 1 1.721 2 3 0 -11.0114637633207 827196 CC(=O)CC(=O)NC1=CC=C(C=C1)C(=O)N 1 -0.137 2 3 0 -9.04108745678906 827183 CC1=NOC(=C1)COC2=CC=CC=C2O 1 1.969 1 3 0 -1.54781452696759 827174 COC1=CC2=C(C=C1)NC3=C(C=C(C=C3)Cl)NC2=O 1 2.982 2 2 -5.92301093219749 827173 CC1=CC=C(O1)CCC(=O)NCC2=CC=CC=C2 1 2.231 1 2 -12.9055459905305 827160 COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N 1 -0.48 2 4 0 -9.79223007326129 827127 CCC1=CC(=C(S1)N)C(=O)C2=CC=CC=C2 1 3.086 1 1 -2.70287308116683 827122 C1=CC=C(C(=C1)CC(=O)O)SC2=CC=C(C=C2)N 1 2.866 1 2 -1.14116110520868 827118 COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2 1 2.471 3 3 -13.0972509541308 827116 COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2 1 2.599 3 2 -10.6918615766436 827112 C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CN=CC=C2 1 2.344 3 1 -11.9917462955869 827108 C1=CC=C2C(=C1)NC(=S)C3=C(S2)C=CC(=C3)Cl 1 4.939 1 0 3.76651431181863 827107 C1CCN(CC1)C(=S)NC(=O)C2=CN=CC=C2 1 2.214 3 1 -13.9821142146262 827106 C1=CC=C2C(=C1)C(=S)NC3=C(S2)C=CC(=C3)Cl 1 4.939 1 0 2.27423247559855 827103 C1=CC=C2C(=C1)C3=NN=C(N3C4=CC=CC=C4S2)Br 1 4.175 3 0 0.203529331244887 827102 C1=CC=C2C(=C1)C3=NN=CN3C4=CC=CC=C4S2 1 3.189 3 0 -0.795484928904884 827100 C1=CC=C(C(=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2)O 1 3.387 2 3 -2.24112372819841 827090 CC1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 4.115 2 2 -4.49304636960879 827085 CC1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC=CO2 1 4.115 2 2 -7.9409448594611 827055 C1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)Cl 1 4.221 0 1 3.16134116963047 827053 C1C2=C(C=CC(=C2)N)SC3=CC=CC=C3C1=O 1 2.81 1 1 1.41235508306771 827046 C1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)O 1 3.315 0 2 1.93462609279758 827041 C1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)N 1 2.81 1 1 2.4035467012177 827019 CC1=CC2=C(C=C1)C(=O)CC3=CC=CC=C3S2 1 4.043 0 1 0.776499036975949 827011 C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=NC(=S)N4)N 1 3.901 3 0 -5.54302720486225 827007 CC1=C(NC(=C1C(=O)C)C(=O)O)C(=O)O 1 0.992 1 5 0 -5.54970286682481 827004 CC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2 1 3.575 3 1 -1.16571183491865 826995 CCNC1=NC(=NC(=N1)N)C2=C(C=CC(=C2)Cl)OC 1 2.194 5 1 0.844591221450017 826994 CCCN(CCC)C1=NC(=NC(=N1)N)C2=C(C=CC(=C2)Cl)OC 1 3.796 5 1 0.988955429568483 826988 CNC1=NC(=NC(=N1)N)C2=C(C=CC(=C2)Cl)OC 1 1.845 5 1 0 0.191679266161753 826987 COC1=C(C=C(C=C1)Cl)C2=NC(=NC(=N2)NC3CCCCC3)N 1 3.703 5 1 0.226060436580545 826981 CC1=NC(=NC=C1C(=O)O)N(C)C 1 2.6e-002 3 2 0 -3.59581099470195 826976 CN(C)C1=NC(=NC(=N1)N)C2=C(C=CC(=C2)Cl)OC 1 2.051 5 1 1.37609389965931 826971 C1C2=CC=CC=C2NC3=CC=CC=C3S1 1 3.675 1 0 -2.62399958344786 826962 COC1=C(C=C(C=C1)C2=NCC(=S)NC3=C2C=C(C=C3)Cl)OC 1 4.304 2 2 0.823043098233363 826961 C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCO 1 3.647 1 1 0.924271332656981 826950 COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)N3CCOCC3)OC 1 1.231 1 5 0 -9.39875480255871 826947 CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)NC(C)C 1 4.083 3 1 -10.6069847947791 826946 CCNC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C)C3=CC=CC=C3 1 3.705 3 1 -5.83807083898639 826945 CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)NC 1 3.357 3 1 -5.05634853278203 826943 CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=CN=CC=C3)C 1 2.118 4 1 -7.61245248063085 826942 CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)N 1 3.151 3 1 -2.51575705768189 826941 C1=CC(=CN=C1)NC(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N 1 2.696 3 2 -4.78935199734086 826934 CC(C)(C)C1=NC=CC(=C1)C(=O)NCC2=CC=CC=C2 1 3.299 2 1 -10.3120257400126 826931 CCC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)C(C)(C)C 1 4.235 2 1 -6.85099092579134 826930 CC(C)(C)C1=NC=CC(=C1)C(=O)NCC2=CN=CC=C2 1 2.149 3 1 -11.9009468414203 826929 CC(C)(C)C1=NC=CC(=C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC 1 3.588 2 3 -13.3232121167633 826928 CC(C)(C)C1=NC=CC(=C1)C(=O)NC(C)(C)C 1 2.647 2 1 -12.624232700588 826927 CCN(C1=CC=CC=C1)C(=O)C2=CC(=NC=C2)C(C)(C)C 1 3.847 2 1 -8.71146097370949 826926 CC(C)(C)C1=NC=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3 1 1.674 5 1 0 -3.20986524484276 826925 CC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)C(C)(C)C 1 3.779 2 1 -6.61155279001226 826924 CC(C)(C)C1=NC=CC(=C1)C(=O)NC2=CC=CC=C2 1 3.293 2 1 -6.76820692838561 826921 CC(C)(C)C1=NC=CC(=C1)C(=O)NCC2=CC=CO2 1 2.481 2 2 -11.6506975097756 826917 CC(C)(C)C1=NC=CC(=C1)C(=O)NC2=CC=CC3=CC=CC=C32 1 4.201 2 1 -7.4975907503411 826916 CC1=C(C=C2C=C(C=CC2=N1)F)C(=O)NCC3=CC=CO3 1 2.477 2 2 -5.69404364516928 826914 CC1=NC2=C(C=C(C=C2)F)C(=C1)C(=O)NCC3=CC=CO3 1 2.477 2 2 -6.24413484858129 826913 CCN(CC)S(=O)(=O)C1=CC(=C(N=C1)Cl)Cl 1 2.032 2 2 -8.72617604150319 826912 CCCN(CCC)S(=O)(=O)C1=CC(=C(N=C1)Cl)Cl 1 3.079 2 2 -8.73123073785547 826907 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC(=C(N=C3)Cl)Cl 1 2.985 2 2 -11.7271820893837 826904 CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(N=C2)Cl)Cl)C 1 3.677 2 2 -2.40954605774947 826903 CC(C)(C)NS(=O)(=O)C1=CC(=C(N=C1)Cl)Cl 1 2.059 2 2 -8.86953188362098 826900 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(N=C2)Cl)Cl 1 3.037 2 3 -2.23677029515272 826894 C1=COC(=C1)CNS(=O)(=O)C2=CC(=C(N=C2)Cl)Cl 1 1.893 2 3 0 -5.14353511535014 826892 CC(C)CN(CC(C)C)S(=O)(=O)C1=CC(=C(N=C1)Cl)Cl 1 3.718 2 2 -7.89630181588547 826869 C1=CC(=CC=C1CNS(=O)(=O)C2=CN=C(C=C2)Cl)Cl 1 2.711 2 2 -2.76235373262133 826857 COC1=CC=C(C=C1)N=C2C(=NSS2)Cl 1 3.398 2 1 7.3825995414395 826843 COC1=CC=C(C=C1)NC(=O)NC2=CC=CC3=C2N=CC=C3 1 2.692 3 2 -6.10522096921046 826842 CC1=CSC(=N1)NC(=O)C2=C(N=CC=C2)Cl 1 1.617 3 1 0 -3.21820446525587 826835 CC1=CC=CC=C1N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 3.575 2 4 2.19218211241359 826829 COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2 1 3.506 1 2 -1.75456787148142 826827 COC(=O)C1=CC2=CC=CC=C2C(=C1O)C3=C(C=CC4=CC=CC=C43)O 1 4.536 0 4 3.07006942089261 826801 COC1=CC2=C(C=C1)OC3=CC=CC=C3C=C2 1 3.529 0 2 0.368812644312499 826800 COC1=CC2=C(C=C1)OC3=CC=CC=C3CC2=O 1 2.982 0 3 -2.81477186440532 826798 CC1=CC2=C(C=C1)S(=O)CC3=CC=CC=C3C2=O 1 2.903 0 2 0.145520751519116 826787 C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2CO 1 2.017 1 2 -8.06171956128357 826782 C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)CC#N 1 3.915 2 0 -0.108529609001221 826768 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NN=CC3=CC=CC=N3 1 2.705 3 2 -1.14992674222949 826745 CSC1=NC=C(C(=N1)C(=O)O)SC2=CC=CC=C2 1 3.29 2 2 -1.52758134512589 826733 CN(C)C(=O)C1=CC=CC=C1SC2=C(C=CC(=C2)Cl)Cl 1 4.691 1 1 -2.53675484087091 826729 CN(C)C(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)Cl)Cl 1 4.691 1 1 -2.62068636022564 826728 C1CCC(CC1)NC(=S)NC2=CC(=CC=C2)Cl 1 5.034 2 0 -4.67145338610494 826714 C1=CC=C(C=C1)CNC(=S)NC2=CC(=CC=C2)Cl 1 4.76 2 0 -5.07132131521124 826710 CC1=CC=C(C=C1)NC(=S)NC2CCCC2 1 4.4 2 0 -7.0658541286423 826706 C1C(=S)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3 1 4.337 2 0 4.21361060813999 826703 C1C(=S)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl 1 5.001 2 0 3.38661909554618 826698 C1C2=CC=CC=C2SC3=CC=CC=C3C1=O 1 3.557 0 1 -0.374699487071207 826693 CC1=C(OC=C1)/C=C(\C#N)/C(=O)OC 1 1.873 1 3 0 -8.29943972926374 826685 C1=CC(=CC=C1CN2C=C(N=C2)[N+](=O)[O-])Cl 1 2.604 3 2 -1.3346030156062 826684 C1CSCC2=NC3=CC=CC=C3C(=C21)N 1 2.108 2 0 3.32649693462399 826660 C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl 1 3.916 4 0 2.68641204587633 826587 CN(C)CC/C=C\1/C2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C31 1 3.45 1 2 0.273071679624007 826584 CC1=CC(=CC=C1)NC(=O)C2=C(NC3=CC=CC=C3C2=O)O 1 2.883 2 3 -3.22469408421761 826557 C1COCCN1C(=O)C2=CC=CC=C2SC3=CC=CC4=CC=CC=C43 1 3.958 1 2 -6.47303706960119 826551 C1=CC=C2C3C4=CC=CC=C4C(C2=C1)C=C3C(=O)O 1 3.226 0 2 -5.37822452679293 826543 CN(C)CC/C=C\1/C2=C(CSC3=C1C=C(C=C3)F)C=CC(=C2)F 1 4.877 1 0 1.3292354583121 826532 CN(C)CC1=CC=CC=C1SC2=CC=CC=C2Br 1 4.77 1 0 1.14164921227898 826530 CN(C)CC1=CC=CC=C1SC2=CC=C(C=C2)Br 1 4.77 1 0 3.63290671116317 826526 COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)N2CCCCC2)OC 1 3.799 2 3 -13.6395644199433 826520 CC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 1 3.369 2 3 -9.99798022720981 826513 COC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2 1 4.217 2 2 -6.2036130071795 826506 COC1=CC=CC=C1SC2=CC=CC=C2C=NNC(=O)N 1 2.911 3 2 -6.24913775559516 826482 CC1(CC2=C(CO1)SC3=NC=NC(=C23)NN)C 1 1.466 4 1 0 -8.07560086413348 826481 CC1(CC2=C(CO1)SC3=C2C(=N)N(C=N3)N)C 1 0.638 4 1 0 -18.2752493451326 826461 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C/[N+](=O)[O-] 1 3.892 2 2 6.30592303933916 826444 CCN1C=C(C2=CC=CC=C21)C3N4CC5(CN3CC(C4)(C5=O)C)C 1 3.148 3 1 -7.19941054651433 826430 CCNC1=NC(=NC(=N1)C(=O)NN)NCC 1 -1.031 7 1 0 -5.43278027978751 826383 COC1=CC(=CC=C1)SC2=CC=CC=C2C=NNC(=O)N 1 2.911 3 2 -3.85671006713728 826378 COC1=CC=C(C=C1)CC2=NC(=NC(=N2)N)N 1 1.132 5 1 0 -2.62174762323977 826371 CC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)NN)C 1 1.318 4 1 0 -7.27857508365168 826364 CC1(CC2=C(CO1)SC3=C2C4=NNC(=S)N4C=N3)C 1 2.14 4 1 -20.6166179964718 826359 CC1=CC=CC=C1C2=NCC(=S)NC3=C2C=C(C=C3)Cl 1 4.823 2 0 3.82696475440138 826355 CCOC(=O)/C(=C/C1=C(CC(OC1)(C)C)N2CCOCC2)/C#N 1 0.911 2 4 0 -15.940078832534 826349 C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)N)NC4=CC=CC=C4 1 3.079 4 1 -12.7789214070294 826348 CC1(CC2=C(CO1)SC3=C2C(=O)NC(=N3)SCC(=O)O)C 1 1.837 2 4 0 -29.1719927452899 826345 CC1(CC2=C(CO1)SC3=C2C(=O)NC(=N3)SC)C 1 2.356 2 2 -21.5924144029871 826310 CN1C(=O)C(=C(C=N1)OC2=CC=C(C=C2)[N+](=O)[O-])Cl 1 1.428 3 4 0 -2.04549716516409 826309 CN(C)N=NC1=CC=C(C=C1)C2=CN(C=N2)CC3=CC=CC=C3 1 3.837 5 0 4.42195562664626 826306 C1=CC=C(C(=C1)C2=NN=C(N2N)C3=CC=CC=C3Cl)Cl 1 3.881 4 0 2.49236339268139e-002 826288 CC1=C(NC2=C1C3=C(C=C2)N=CC=C3)C 1 2.941 2 0 4.41764415737135 826275 CC(C)C1(C2=CC=CC=C2C(=O)O1)C(C)C 1 3.707 0 2 -3.20492024828639 826266 CC1=NC2=CC=CC=C2C(=N1)OC3=CC=CC=C3 1 3.443 2 1 3.17757163166137 826263 CC1=NC2=CC=CC=C2C(=N1)OCC3=CC=CC=C3 1 3.45 2 1 0.416772175518395 826252 C1=CC=C(C=C1)C2=CC3=C(N2)C=C(C=C3)C(=O)O 1 3.563 1 2 4.98596028742583 826249 CN1C2=CC=CC=C2C(=O)C=C1C3=CC=C(C=C3)OC 1 3.298 1 2 3.45549869786975 826247 COC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3 1 3.946 1 1 3.93867528806557 826244 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)OC 1 3.93 1 2 4.33741134115847 826242 COC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)OC 1 3.93 1 2 4.36160815175723 826237 COC1=CC2=C(C=C1)N=C(C=C2OC)C3=CC=CC=C3 1 3.93 1 2 4.71611488474283 826236 CC(C)NC1=NC(=NC(=N1)N(CC(=O)OC)C#N)NC(C)C 1 0.815 7 2 0 -12.8648660153928 826234 CN1C2=CC=CC=C2C(=O)C(=C1C3=CC4=C(C=C3)OCO4)C(=O)O 1 2.673 1 5 0.406609637710816 826230 CN(C)C1=NC(=NC(=N1)N(C)C#N)SC 1 1.067 6 0 0 -3.37168001488361 826227 CCNC1=NC(=NC(=N1)N(C#N)C(C)C)NCC 1 1.079 7 0 0 -4.91624559678834 826222 CC1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)N(C)C#N 1 2.716 6 0 -1.42529490939742 826221 CN(C#N)C1=NC(=NC(=N1)NC2=CC(=CC=C2)Cl)Cl 1 2.895 6 0 0.90018659732214 826220 C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O 1 4.792 1 2 -1.65236547495763 826201 CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])N 1 1.181 2 4 0 -6.160525581486 826184 CC(C)OC1=CC=C(C=C1)CC2=CN=C(N=C2N)N 1 2.302 4 1 -1.4865094684129 826117 CN(C)C1=CC=C(C=C1)CCC2=CC=C(C=C2)N 1 3.676 2 0 -0.863333667792125 826113 CC1=CC(=C(C(=C1C)[N+](=O)[O-])C)N 1 2.436 2 2 0.882837908943176 826074 CN1C(=CC(=O)C2=C1C(=CC=C2)OC)O 1 1.989 1 3 0 0.186354636860541 826068 C1=CC=C(C=C1)NNC(=O)C(CCO)C(=O)NNC2=CC=CC=C2 1 1.653 4 3 0 -3.25955030901365 826058 CCCC1=C(NC2=CC=CC=C2C1=O)C 1 3.085 1 1 -5.92522120116021 826029 CC1(CCC2=C(O1)C3=C(C(=CC=C3)OC)NC2=O)C 1 1.997 1 3 0 -6.79832914261708 826016 CC1=C(C(=O)C2=C(N1)C3=CC=CC=C3C=C2)C/C=C(/C)\Cl 1 4.171 1 1 -1.3188747557253 826001 CC1(CC2=C(O1)NC3=C(C2=O)C=CC=C3OC)C 1 2.479 1 3 -7.12962825449707 825969 CC1=C(C=CC(=C1OC)OC)C(=O)CC2=CC(=C(C=C2)OC)OC 1 3.689 0 5 -3.14011536364606 825968 CC1(CC2=C(O1)C3=C(C(=CC=C3)OC)NC2=O)C 1 1.541 1 3 0 -8.39797996341705 825959 CC(=O)NC1=CC(=CC=C1)S(=O)(=O)C 1 0.476 1 3 0 -10.0312191566693 825958 CC1=CC(=C(C=C1)OCC(=O)NN=C(C)C2=CC=CS2)[N+](=O)[O-] 1 2.833 3 4 0 -10.3202781288475 825949 CC1=C(C(=CC=C1)C)OCC(=O)NN=C(C)C2=CC=CS2 1 3.425 2 2 -11.0562032778847 825944 CC(=O)N(C1CCCC1)C2=CC=CC=C2 1 2.558 1 1 -3.02181567161161 825941 CC(=O)CCC(=O)C1=CC2=CC=CC=C2C=C1 1 2.424 0 2 -2.08959933529679 825940 CCC(=O)CCC(=O)C1=CC2=CC=CC=C2C=C1 1 3.09 0 2 0.597332654584732 825932 CC(C)(C(=O)C1=CC=CC=C1)NC2=CC=CC=C2 1 3.69 1 1 -4.48696122512284 825926 CC1=NC2=C(C=CC3=CC=CC=C32)C(=N1)OC 1 2.774 2 1 1.27597900909025 825922 CC1=C(C(=CC(=C1[N+](=O)[O-])C(C)(C)C)C(C)(C)C)N 1 4.264 2 2 2.21034509355388 825918 CC1=C(C=CC(=C1)N)S(=O)(=O)C 1 1.095 1 2 0 -3.26794714231224 825916 CC1=CC(=CC(=C1S(=O)(=O)C)C)NC(=O)C 1 1.448 1 3 0 -9.05673157396685 825915 CC1=CC(=CC(=C1NC(=O)C)C)S(=O)(=O)C 1 1.448 1 3 0 -9.74548184910113 825902 CC1=CC(=CC2=C1C=CC=N2)[N+](=O)[O-] 1 2.396 2 2 2.66914388887248 825894 CC1=CC(=CC=C1)NCC(=O)NN=CC2=CC=C(C=C2)C(=O)OC 1 2.685 3 3 -8.80620171961717 825869 CN1C2=C(C=C(C=C2)C=NNC(=S)N)N(C1=O)C 1 1.074 5 1 0 -11.2089543957521 825862 CC1=C(C(=CC=C1)NC2=NC3=NON=C3N=C2N4C(=CC(=N4)C)C)C 1 3.107 7 1 0 -10.7117500276339 825855 C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2[N+](=O)[O-] 1 3.049 1 4 -3.45096095813924 825840 CN(C)C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O 1 2.912 1 3 1.73331109386393 825822 COC1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)OC)O 1 2.902 0 5 -1.73667128153605 825801 C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CO3 1 2.794 2 3 -6.1626080592551 825799 CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3 1 3.885 2 2 -5.76476251326396 825761 CC1=CC(=CC(=C1)OCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])C 1 2.905 3 5 0 -4.86403194779907 825739 COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC 1 2.322 1 3 -10.4420089718816 825729 CSC(=NNC(=O)N)C1=CC=CC=C1 1 1.463 3 1 0 -5.01054359639344 825714 C1=CC=C(C=C1)OC2=CC=CC(=C2)C3C(=C(SC(=C3C#N)N)N)C#N 1 3.023 4 1 -1.87405272759149 825709 CN1CCCN(CC1)C2C3CC4CC(C3)CC2C4 1 2.597 2 0 10.9999570599243 825695 CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 1 3.885 2 2 -5.37373101246711 825693 CC(C)(C)C1=CC(=C(C=C1)O)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3 1 4.247 2 5 0 10.2888270859281 825662 COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCOCC2 1 1.462 1 6 0 -9.79860262870507 825659 C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CO3)Cl 1 3.459 2 3 -5.61203458141659 825648 C1CN(CCC1NC(=O)C2=CC=CC=C2F)CC3=CC=CC=C3 1 2.937 2 1 -3.86093872593493 825635 COC1=C(C(=CC=C1)OC)C(=O)NC2=CN=CC=C2 1 1.431 2 3 0 -6.98261108341408 825634 COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=NC=C2 1 1.431 2 3 0 -6.70576306208376 825630 C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=NNC(=O)C3=CN=CC=C3 1 2.367 3 4 0 -3.66318753362041 825621 CC1(CC(=CC(=O)C1)NC2=C(C(=CC=C2)Cl)Cl)C 1 4.032 1 1 -12.4599040101594 825614 C1=CC=C2C(=C1)C=CC=C2N=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-] 1 5.434 2 3 9.06763240775589 825591 CC1=C(C=CC(=C1)O)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-] 1 3.485 2 5 0 0.150915217828015 825579 CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)N 1 3.034 1 3 -3.67796857933999 825578 CC(=NNC(=O)C1=CC=CC=C1O)C2=CC=C(S2)Br 1 2.943 2 2 -3.07893691541307 825572 C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)[N+](=O)[O-] 1 3.641 5 2 0 -4.83208602103716 825569 C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=CC=C3[N+](=O)[O-] 1 3.641 5 2 0 -5.24755478593945 825567 CC1=C(C=C(C=C1)C2=CC=C(O2)C=NNC(=O)CN3CCCC3)Cl 1 3.841 3 2 -1.11894427741666 825565 CN1CCCC1=NC2=C3CCN(C3=NC4=CC=CC=C42)C 1 2.014 4 0 -2.13303668393331 825539 CN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC=CC=C3O 1 2.94 3 2 1.23489823767462 825536 CC(C)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3 1 4.941 4 0 -2.04277847411458 825518 CC(=C1C(=O)NN(C1=O)C2=CC(=CC=C2)Cl)C 1 2.33 2 2 -1.09490012975353 825511 CCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3 1 4.079 4 1 -3.50542753161837 825507 CC1=C(C(=CC=C1)NC2=CC(=O)CC(C2)(C)C)C 1 3.676 1 1 -10.4711222800865 825502 C1=CC=C(C=C1)CNC2=CC(=O)OC3=CC=CC=C32 1 2.718 1 2 -3.30244344872186 825492 CC1=CC(=C(C=C1)C)N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] 1 5.498 2 3 8.08721862208426 825474 C1=CC=C(C=C1)/C=C/C(=O)NC2=CN=CC=C2 1 1.931 2 1 0 -4.51355197062104 825464 CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)C(F)(F)F)Cl 1 3.277 1 3 -4.3103885882085 825463 CC1=CC=C(C=C1)CNC(=O)C2=CN=CC=C2 1 1.957 2 1 0 -8.91345824582485 825459 C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC=C3S(=O)C(F)(F)F 1 4.005 1 3 -1.00511028436974 825437 CC1=CC=C(C=C1)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C 1 1.967 2 2 0 -11.5774393797769 825435 CC1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=CC=C3OC 1 4.305 2 1 -1.30599832960154 825415 C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)N 1 0.648 2 3 0 -4.72174949219463 825411 C1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3[N+](=O)[O-] 1 2.667 2 4 -13.7760796644396 825398 CCOC(=O)NC1=NN=C(S1)C2=CC=C(C=C2)OC 1 2.325 3 3 -6.498860681085 825376 CC(C)CC1=NN=C(S1)NC(=O)NC2=CC=CC=C2 1 2.632 4 1 -7.15575399394119 825369 CCN(C1=CC=CC=C1)C(=S)N 1 2.782 2 0 -4.4390906753598 825361 CCCC1=NN=C(S1)NC(=O)OCC 1 1.8 3 2 0 -10.0951555697948 825353 CCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.366 4 3 0 -12.9239299956188 825322 C1COCCN1CC2=NC3=CC=CC=C3N2 1 1.3 3 1 0 0.481815345507877 825321 CC1=CC2=NC=C(N=C2C=C1C)Cl 1 3.14 2 0 1.59666899566602 825318 CC1=CC(=C(O1)C)C(=O)C2=CC3=CC=CC=C3C=C2 1 3.537 0 2 -0.885882769222911 825312 CC1=CC=CC=C1NC(=O)C2=CN=CC=C2 1 1.95 2 1 0 -8.59957740834372 825307 C1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=CC=C2 1 2.57 1 2 -6.69654911173905 825289 C1CCN(C1)C(=O)C2=CC=CS2 1 1.658 1 1 0 -9.83477197319167 825286 C1COCCN1C(=O)C2=CC3=CC=CC=C3N2 1 1.516 2 2 0 -2.54090091827279 825279 CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC=CO2 1 2.642 4 2 -3.5992041134772 825262 CC1=CC(=C(C(=S)N1C2=CC=C(C=C2)Cl)C(=O)C)SC 1 4.092 1 1 -0.778653456945931 825260 CC1=CC=CC=C1N2C(=CC(=C(C2=S)C(=O)C)SC)C 1 3.914 1 1 -3.85337683796192 825259 CC1=CC(=C(C(=S)N1C2=CC=CC=C2OC)C(=O)C)SC 1 3.411 1 2 -4.41245948930416 825258 CC1=CC(=C(C(=S)N1C2=CC=CC=C2)C(=O)C)SC 1 3.428 1 1 -2.86195534267498 825257 CC1=CC(=C(C(=S)N1C2=CC=C(C=C2)OC)C(=O)C)SC 1 3.411 1 2 -3.01361835667689 825255 CC1=CC(=C(C(=S)N1C2=CC=C(C=C2)OC)C(=O)C)C 1 3.611 1 2 -4.80530391394642 825251 CSC1=C(OC(=C1)C2=CC=CO2)C(=O)C3=CC=CO3 1 3.771 0 4 -0.272114618455717 825248 CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NC4=CC(=CC=C4)[N+](=O)[O-])C#N 1 4.684 5 2 0 -11.4410338722044 825224 CCC1=C(N(C(=CC1=O)C2=CC=NC=C2)C3=CC=CC=C3)O 1 3.497 2 2 -0.13856269969062 825212 CCC1=C(N2C3=CC=CC=C3C(C2=CC1=O)(C)C)O 1 3.731 1 2 1.05820390321925 825210 CC1=C(N2C3=C(C=C(C=C3)Cl)C(C2=CC1=O)(C)C)O 1 3.94 1 2 3.79182151456536 825208 CN1C2=C(C=CC(=C2)OC)C(=CC1=O)OC 1 1.129 1 3 0 1.34314423751553 825207 CC1=C(OC2=C(C1=O)C(=O)N(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)O 1 3.305 1 4 0.317396882764626 825206 COC1=CC=CC2=C1NC(=C(C2=O)C3=CC=CC=C3)O 1 3.114 1 3 -0.602872007235784 825198 C1CCC2=C(C1)C(=O)C(=C(N2C3=CC=CC=C3)O)C4=CC=CC=C4 1 5.043 1 2 -4.69908455083237 825197 CC1=C(N2C3=CC=CC=C3C(C2=CC1=O)(C)C)O 1 3.275 1 2 2.65296619992541 825194 CC(C)C1=CC(=O)C(=C(N1C2=CC=CC=C2)O)C(=O)C 1 3.043 1 3 -1.97324919112869 825193 CCCC1=C(N(C2=CC=CC=C2C1=O)C3=CC=CC=C3)O 1 4.958 1 2 0.90752256481096 825185 CN1C2=CC=CC=C2C(=O)C(=C1O)SC3=CC=C(C=C3)Cl 1 4.493 1 2 6.08955330294558 825184 CC1=CC(=C(C(=C1)C)C2=C(N(C3=C(C2=O)C=CC=N3)C)O)C 1 4.331 2 2 -0.226030792675667 825182 CC1=CC(=C(C(=C1)C)C2=C(N=C3C(=CNN3C4=CC=CC=C4)C2=O)O)C 1 3.661 3 2 -1.7891022153211 825181 CC1=CC(=C(C(=C1)C)C2=C(N3CCCC4=CC=CC(=C43)C2=O)O)C 1 5.474 1 2 -2.09833258064652 825180 CC1=CC(=C(C(=C1)C)C2=C(N(C3=C(C2=O)C(=O)CC(C3)(C)C)C)O)C 1 4.286 1 3 -8.9546874290513 825174 CC1=CC(=CC(=O)N1C)NC2=CC=CC=C2 1 1.485 2 1 0 -1.34113817817535 825172 CC1=C(N(C(=CC1=O)C2=CC=CS2)C3=CC=CC=C3)O 1 4.145 1 2 -0.812737400654211 825171 C1=CC=C2C(=C1)C(=O)C(=C(O2)O)SC3=CC=C(C=C3)Cl 1 4.314 0 3 5.29754319830823 825169 CC1=CC(=O)C(=C(O1)O)SC2=CC=CC=C2 1 2.577 0 3 0.104304909626658 825159 CCC1=CC2=C(C=C1)N(C(=C(C2=O)C(=O)C3=NNN=N3)O)C 1 2.263 5 3 0 0.685448701837026 825158 CC(C)C1=CC2=C(C=C1)N(C(=C(C2=O)C(=O)C3=NNN=N3)O)C 1 2.515 5 3 0 1.34250251059696 825157 CN1C2=C(C=CC(=C2)Cl)C(=O)C(=C1O)C(=O)C3=NNN=N3 1 1.985 5 3 0 0.54664213599945 825146 C1CSC(=N1)NC(=O)CC2=C(C=CC=C2Cl)Cl 1 3.466 2 1 -13.0649756935447 825129 CC1(CC(=C(C(=O)C1)SC2=CC=CC=C2C(=O)O)O)C 1 2.529 0 4 -7.81951153203962 825128 C1CC(=C(C(=O)C1)SC2=CC=CC=C2C(=O)O)O 1 2.071 0 4 -6.33328239095276 825120 CC1=NN=C(O1)C(=O)C2=C(C3=CC=CC=C3N(C2=O)C)OC(=O)C 1 0.336 3 5 0 -6.16775077372956 825101 CCC1=C(N2C3=C(C=C(C=C3)Cl)C(C2=CC1=O)(C)C)O 1 4.396 1 2 2.1970592178592 825094 CN1C2=CC=CC=C2N3C1=C(C(=C(C3=O)Cl)C4=CC=CC=C4)C#N 1 3.735 3 1 -2.53599490867842 825081 CCC1=C(N(C(=CC1=O)C2=CN=CC=C2)C3=CC=CC=C3)O 1 3.497 2 2 -1.44735927550844 825068 CC(C)C1=C(N(C2=C(C1=O)CCCC2)C3=CC=CC=C3)O 1 4.719 1 2 -6.76451292395445 825067 CCC1=C(N(C(=CC1=O)C2=CN=CC=C2)C3=CC=C(C=C3)Cl)O 1 4.161 2 2 0.733336836745393 825059 CC1=CC(=C(C(=C1)C)C2=C(N(C3=CC=CC=C3C2=O)C)O)C 1 4.943 1 2 1.47050960709962 825048 CC1=N[N+]2=C(C=C1)N(C(=C(C2=O)CC3=CC=CC=C3)[O-])C4=CC=CC=C4 1 3.6 3 2 -5.1188237770195 825043 C1=CC=C(C=C1)C2=NN3C(=CC2=O)NC4=CC=CC=C4C3=O 1 2.817 3 2 -5.59696980253833 825042 CC1(CC(=C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-])O)C 1 2.793 1 4 -6.43164396283022 825040 CN(C)C(=O)OC1=CC(=O)N2CCCC3=CC=CC1=C32 1 1.663 2 3 0 -6.47240946632668 825035 C1COCCN1CCOC(=O)C2=CC=C(C=C2)O 1 1.269 1 4 0 -3.94767800135784 825022 C1=CC=C(C=C1)C2=C(NC3=C(C2=O)C=C(C=C3)Cl)O 1 3.795 1 2 2.42445380055452 825016 CC1=CC(=C(C(=C1)C)C2=C(NC3=C(C2=O)C=CC(=C3)OC)O)C 1 4.573 1 3 -1.71389358397332 825003 C1=CC=NC(=C1)NC(=O)CC2=C(C=CC=C2Cl)F 1 2.907 2 1 -6.72776768959645 825001 CC(C)C1=C(N(C(=CC1=O)C2=CC=NC=C2)C3=CC=C(C=C3)Cl)O 1 4.413 2 2 1.92798396428182 825000 CCC1=C(N2C3=CC=CC=C3SC2=NC1=O)O 1 3.325 2 2 -4.84472615395146 824998 CCC1=C(N(C(=CC1=O)O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.647 1 2 -0.395368191193286 824989 C1=CC=C(C=C1)C(=O)OC2=CC(=O)N3C=CC=CC3=N2 1 1.874 2 3 0 -12.6305593436101 824980 CC(C)(C)S(=O)(=O)C1=C(N(C2=CC=CC=C2C1=O)C)O 1 2.167 1 4 -0.114294758775787 824974 C1=CC=C2C(=C1)C(=O)C(=C(N2)O)SCC(=O)O 1 1.38 1 4 0 -10.5995297412931 824967 C1C(CC(=O)C(C1=O)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3 1 4.338 0 2 4.15793207398532 824966 CCN(CC)C(=O)OC1=CC(=O)N(C2=CC=CC=C21)C 1 1.829 2 3 0 -5.15895369345658 824964 C1CN2C(=CC(=O)N3C2=[N+](C1)CCC3)[O-] 1 -0.739 3 2 0 -4.25230617985857 824956 C1CCCC2=C(CC1)C3=C(C(=O)C=C(O3)O)C(=O)N2C4=CC=CC=C4 1 3.591 1 4 -8.31164922476399 824954 C1CCC2=C(CC1)N(C(=O)C3=C2OC(=CC3=O)O)C4=CC=CC=C4 1 3.135 1 4 -8.31164922476399 824943 CC1=CC=C(C=C1)C(=O)OC2=CC(=O)N(C(=C2)C)C 1 2.018 1 3 -6.00805408827076 824940 CC1=CC(=CC(=O)N1C)OC(=O)C2=CC=C(C=C2)Cl 1 2.196 1 3 -3.99775880335014 824939 CC1=CC(=CC(=O)N1C)OC(=O)C2=CC=CC=C2Br 1 2.28 1 3 -3.91816313991964 824938 CC1=CC(=CC(=O)N1C)OC(=O)C2=CC=CC=C2Cl 1 2.196 1 3 -4.0783746234909 824935 CN1C2=C(C(=O)C(=C(N2)O)CC3=CC=CC=C3)C(=O)N(C1=O)C 1 1.511 3 4 0 -10.2642746335556 824929 CC(C)OC1=CC=C(C=C1)CNC(=S)NN=CC2=CN=CC=C2 1 3.374 4 1 -8.00046806670267 824926 CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)C3=CC=CC=C3 1 3.37 1 3 -0.28037346500582 824921 CCCN1C(=C(C(=O)C(=C1O)C2=CC=CC=C2)C(=O)OCC)C 1 3.353 1 4 -6.45426124429881 824919 CN1C2=CC=CC=C2C(=O)C(=C1O)C3=CC(=CC=C3)Cl 1 4.149 1 2 7.93171909456978 824918 CC1(CC2=C(C(=O)C1)C(=O)C(=C(N2C)O)C3=CC=CC=C3)C 1 2.828 1 3 -6.73051602858915 824917 COC1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-] 1 2.465 2 4 -6.24165331974714 824916 CN1C2=CC=CC=C2C(=O)C(=C1O)S(=O)C3CCCCC3 1 2.998 1 3 2.87445542690955 824910 CC1=C(C(=O)NC(=O)N1)CC=C 1 0.47 2 2 0 -15.048150670313 824906 COC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] 1 2.81 1 5 -10.5632394872914 824899 C1CCN(C(=O)C1)CCC2=CNC3=CC=CC=C32 1 2.489 2 1 -12.0738906112322 824898 COC1=CC=CC(=C1)CCC2=NC3=CC=CC=C3C(=O)N2N 1 2.476 3 2 -6.01910908628793 824892 C[C@H](C1=NC2=CC=CC=C2N1N)O 1 0.926 3 1 0 -3.32299349817248 824821 CC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)N)C3=CC=C(C=C3)C)C#N 1 3.368 4 1 -2.24411365810008 824820 CC1=CC=C(C=C1)N2C(=C(C(=C(C2=O)C#N)C3=CC=CC=C3)C#N)N 1 2.882 4 1 -1.89231113219773 824819 CC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)N)C3=CC=CC=C3)C#N 1 2.882 4 1 -1.67909791102476 824818 C1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)N 1 1.798 3 0 0 6.10912348320844 824747 CCOC(=O)C1=CC=C2C=CC=C(N2C1=O)C 1 0.946 1 3 0 -8.88212871404929 824761 C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)C3=CC=CC=C3)Cl 1 3.034 2 1 -3.94793974573389 824762 C1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)OC3=CC=CC=C3 1 4.105 2 1 7.5727164556599 824763 C1=CC=C(C=C1)C2=CC(=NC=N2)OC3=CC=CC=C3 1 4.097 2 1 3.37113388212986 824765 C1=CC=C(C=C1)C2=NC=C(C(=O)N2)OC3=CC=CC=C3 1 2.181 2 2 -2.69458008262783 824768 CCOC(=O)C1=CC(=C2C=CC=C(N2C1=O)C)C(=O)OCC 1 1.111 1 5 0 -10.2093234474717 824807 CC1=NC2=C(C(=C1)C3=CC=CC=C3)C(=O)NN2 1 1.996 3 1 0 -0.773410872345435 824800 CC(C)(CC1=CC=CC=C1)NC(=O)C=C 1 2.558 1 1 -7.59222338952329 824792 COC1=CC=C(C=C1)C2=CC3=C(C(CC3)(C#N)C#N)N=C2 1 2.91 3 1 2.42379006755895 824791 CC1(CC2=CC=CC=C2C3=NN=C(N31)C4=CC(=CC=C4)O)C 1 3.665 3 1 3.29203563771394 824783 CCOC1=NC(=NC=C1OC2=CC=CC=C2)C3=CC=CC=C3 1 4.102 2 2 5.74365170050564 824775 CC1=C(NC(=NC1=O)C2=CC=CC=C2)C3=CC=CC=C3 1 3.112 2 1 -4.85777297712235 824774 COC1=NC=NC(=C1C2=CC=CC=C2)C3=CC=CC=C3 1 4.039 2 1 2.75979031231201 824772 C1=CC=C(C=C1)OC2=NC(=CC=C2)OC3=CC=CC=C3 1 4.878 1 2 1.77427823391828 824769 CC1=CC=CC=C1NC(=O)CNC2=NC(CC3=CC=CC=C32)(C)C 1 3.078 3 1 -10.268391289005 824739 CC(C)(C)C1=C(C(=O)N=C(N1)C(C)(C)C)Br 1 2.882 2 1 -3.18540134690211 824731 CCOC1=NN(C(=O)C=C1)C2=CC=CC=C2 1 2.03 2 2 -2.32975615625524 824728 CN(C1=CC=CC=C1)C2=CC(=NC(=C2)Br)Br 1 4.4 2 0 3.35030397316718 824727 CCOC(=O)C1=C2C=CC=CN2C(=O)C(=C1)Br 1 0.885 1 3 0 -8.73027826900967 824723 C1=CC=C(C=C1)C2=NC3=C(C(=O)N=CN3)NC2=O 1 0.237 4 2 0 -5.99684736053896 824718 CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C 1 1.049 2 5 0 -11.8434518202903 824717 CN(C1=CC=CC=C1)C2=NC=CC(=O)N2 1 1.031 3 1 0 -3.1417864891289 824706 COC1=NC(=NC=C1)OC2=CC=CC=C2 1 2.655 2 2 -4.32191507693293 824698 CC(=O)N(C1=C(C2(CCCCC2)CC3=CC=CC=C31)C#N)C(=O)C 1 3.007 2 2 -6.47687130017865 824691 C1=CC=C(C=C1)C(=O)NC2=CC(=NC=N2)Cl 1 2.248 3 1 -6.16958071525077 824676 C1=CC=C(C=C1)C2=NC(=O)C(=C(N2)N)N 1 -0.499 4 1 0 -3.27600344080919 824667 C1=CC=C(C=C1)C2=NC=CN=C2Cl 1 2.349 2 0 5.01694088105226 824659 CCOC1=C(C(=NC=C1)OCC)Br 1 2.631 1 2 -3.08231107080299 824652 COC1=CC=C(C=C1)C2=NN=CN=N2 1 1.242 4 1 0 3.05915253258032 824644 CC(C)(C)C1=C(C(=O)N=CN1)Br 1 1.257 2 1 0 -2.39565495208642 824640 CC(=O)NC1=CC=CC(=N1)C(=O)O 1 0.397 2 3 0 -4.62488342870209 824610 CC1=CN=C2C=C(C=CC2=N1)[N+](=O)[O-] 1 1.471 3 2 0 2.41750579012772 824607 C1=CC=C(C=C1)C2=CC(=NN2CC(=O)O)C3=CC=CC=C3 1 3.718 2 2 -2.34293929475192 824605 CC1=C(C(=NN1CC(=O)NCC2=CC=CO2)C)[N+](=O)[O-] 1 0.627 4 4 0 -17.1068706359269 824599 C1=CC=C(C=C1)C(=O)C2=C(C=CC=N2)C(=O)O 1 2.141 1 3 -5.81784537411772 824595 CC1=CC(=NN1CC(=O)NCC2=CC=CO2)[N+](=O)[O-] 1 0.883 4 4 0 -21.1923551033378 824587 CC1=C(C(=NN1CC(=O)NC2CCCCC2)[N+](=O)[O-])Cl 1 2.641 4 3 0 -12.1207115696847 824582 C1=C(C(=CN=C1Br)N)Br 1 1.663 2 0 0 1.06888775047177 824511 C1CCC(=NNC(=O)CSCC2=CC=C(C=C2)C#N)C1 1 2.231 3 1 -14.9928330220998 824493 C1COCCN1C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl 1 3.721 1 2 -5.28655989885391 824475 C1CCCN(CC1)C(=S)NC(=O)C2=CC=CC=C2 1 3.821 2 1 -12.7946009719406 824474 CCOC(=O)C1=C(N=C(S1)N(C)C)C2=CC=CC=C2 1 2.811 2 2 -2.32036377250109 824469 C1=CC=C(C=C1)C(=O)CN2C=CSC2=NC(=O)C(F)(F)F 1 2.391 2 2 -9.99681491379892 824462 CN(C)C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-] 1 2.21 3 2 1.15063995275251 824460 CN=C1N(C(=CS1)C2=CC=C(C=C2)Br)C 1 2.759 2 0 0.559854007303086 824458 CC1=CSC(=N1)N=CC2=CC=C(C=C2)[N+](=O)[O-] 1 1.954 3 2 0 5.41084901212897 824452 CCOC(=O)C1=C(N=C(S1)N)C(C)(C)C 1 2.405 2 2 -2.91058727977956 824448 C1CCCC(=NNC(=O)CSC2=CC=C(C=C2)Cl)CC1 1 3.922 2 1 -6.708300352188 824442 C1=CC=C(C=C1)CC2=CNC(=S)S2 1 2.959 1 0 -1.96365901273854 824437 CCCC1=C(SC(=N1)N)C(=O)OCC 1 1.981 2 2 0 -3.0468450208099 824436 CCOC(=O)C1=C(N=C(S1)N)C(C)C 1 1.988 2 2 0 -3.43841625867917 824431 C1CCCN(CC1)C2=NN3C(=NN=N3)C=C2 1 0.608 6 0 0 -6.22788723865539 824418 CC(=NNC(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2 1 3.412 2 1 -7.2955577389867 824416 C1CCC(=NNC(=O)C2=CC=C(C=C2)Br)C1 1 2.7 2 1 -7.79383569056271 824412 CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC3=CC=CC=C3 1 1.85 4 2 0 -2.93103691195866 824404 CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Br 1 3.106 2 2 -3.91551271398708 824396 CCC(=NNC(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2 1 4.079 2 1 -6.61724402716999 824386 CCC(CC)C(=O)NC1=CC=NC=C1 1 1.841 2 1 0 -6.79664607460704 824384 CC(=NNC(=O)NC1=CC=CC=C1)C2=CC3=CC=CC=C3C=C2 1 3.48 3 1 -1.63395915244044 824381 CN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2CCCCCC2 1 1.453 4 3 0 -9.26540668225406 824366 C1=CC=C2C(=C1)C3=CC=CC=C3N4C2=NN=C4C5=CC(=CC=C5)[N+](=O)[O-] 1 4.385 4 2 -1.11985001124631 824340 C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC=NC=C3 1 2.372 2 1 -1.75889200867753 824286 CC1=C(C=C(C=C1)NC(=O)CNC(=O)OCC2=CC=CC=C2)C 1 3.209 2 3 -9.72603937374621 824246 CC1(CC(=NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)C1)C 1 3.383 2 2 -6.63624945584846 824243 C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC(=C(C=C3)Cl)Cl 1 3.861 2 1 -4.04632356117108 824234 CC1=CC(=NC=C1)NCN2C3=CC=CC=C3N=N2 1 2.482 5 0 -3.04500711624766 824203 CC1=CC2=CC=CC=C2C=C1CN3CCOCC3 1 2.985 1 1 3.02973329009389 824191 C1CCC(=NNC(=O)C2=CC=CC=C2[N+](=O)[O-])C1 1 1.846 3 3 0 -11.9409179255421 824188 C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=CO3 1 2.76 4 2 -1.61939216973602 824182 CC(C)COC1=CC=C(C=C1)CC2=C(NC(=S)NC2=O)O 1 3.631 2 3 -9.37174372261124 824168 CN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-] 1 3.077 4 3 0 -6.00409447239028 824166 C1CCN(C1)CC(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)Cl 1 3.355 3 2 2.31597756685016 824165 CC(=NNC(=O)CCC1=CC=CC=C1)C2C(=O)C3=CC=CC=C3C2=O 1 2.616 2 3 -7.52564644625932 824164 CC(=NNC(=O)CCC1=CC=CC=C1)C2=CC=C(C=C2)Br 1 3.903 2 1 -9.39914257955083 824163 C1CCC2(C1)CC3=CC=CC=C3C(=N2)NNC(=O)C4=CN=CC=C4 1 2.314 4 1 -4.26597554075804 824162 C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)Cl 1 4.411 4 0 0.561670217437523 824155 CCNC(=O)N1CCOCC1 1 -0.388 2 2 0 -9.53087470184857 824113 CC(C)NC(=O)C1=C2CCCCC2=NC3=CC=CC=C31 1 3.471 2 1 -9.08396787824685 824104 CC1=CC=CC=C1OCC(=O)NN=CC2=CC3=C(C=C2)OCCO3 1 2.79 2 4 -8.01338231377466 824099 CSC1=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N1 1 3.626 3 1 -13.0029297048194 824096 C1CCC2=C(C1)C3=C(S2)N=CN(C3=N)N 1 1.482 4 0 0 -12.5266468337879 824092 C1C2CC3CC1CC(C2)C3=NNC(=O)C4=CC=NC=C4 1 1.943 3 1 0 -3.2185055461319 824082 CC1=CC(=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-] 1 2.875 2 5 0 -2.95341648985065 824070 CCOC1=C(C=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)C)OC 1 3.188 2 4 -6.46415547224368 824053 CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C(C)C)Cl 1 3.212 3 1 -4.96713206284721 824050 CN1N=C(N=N1)NC(=O)C2=C(C=CC(=C2)Br)OC 1 1.922 5 2 0 -6.88846882967024 824048 CC(C)(C)C(=O)NC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C 1 1.666 3 3 0 -20.5914785466923 824047 CC(C)C(=O)NC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C 1 1.249 3 3 0 -19.3343790440826 824046 CC(C)CC(=O)NC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C 1 1.495 3 3 0 -18.4386406302912 824045 CCCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C 1 1.243 3 3 0 -19.8876175817731 824044 CCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C 1 0.787 3 3 0 -14.4653234471256 824040 C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)O)C(=O)NC3=CC(=CC=C3)O 1 2.915 2 4 -4.16996255373332 824033 CC1=NC2=NC=NN2C(=C1)C3=CC=C(C=C3)Cl 1 3.134 4 0 -2.72764754902791 824004 CCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=C(C=C3)OC 1 2.197 4 3 0 -3.39515711419764 824002 CCCC1=NC2=C(N1CCC)NC(=O)N(C2=O)C 1 1.673 4 2 0 -6.90954474289107 823997 CCCC1=NC2=C(N1C)NC(=O)N(C2=O)C 1 0.8 4 2 0 -5.12699682596915 823976 CC1=NC(=CC=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.699 3 4 0 -2.29928226948151 823973 CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] 1 1.768 2 5 0 -5.56726796589493 823966 C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC=C(C=C3)F 1 3.757 2 3 -11.3263973439726 823965 CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OCCO3 1 4.494 2 3 -12.9370434119139 823944 C1COCCN1C2=NC3=CC=CC=C3C4=CC=CC=C42 1 2.693 2 1 1.05707568729933 823924 COC1=C(C=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)C(=O)OC 1 3.118 1 4 -5.64982680453736 823918 COC1=CC(=C(C=C1NC(=O)CCC2=CC=CC=C2)Cl)OC 1 3.737 1 3 -11.1571205179179 823914 CC1=CC=C(C=C1)CNC(=O)CCCC2=CC=CC=C2 1 4.055 1 1 -11.9785523527483 823913 C1=CC(=C(C=C1Br)F)NC(=O)C2=CC=NC=C2 1 2.417 2 1 -3.12687383665002 823908 CC1=CC(=CC(=C1)NC(=S)NC(=O)CC2=CC=CC=C2)C 1 4.773 2 1 -8.22269546997085 823885 CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(F)(F)F 1 5.194 2 1 -10.6232202466422 823875 CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2 1 4.476 2 2 -11.7419558960599 823858 CC1=CC(=CC(=C1)OCC(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2)C 1 4.931 1 2 -4.5802237758285 823852 CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)F)C 1 3.468 2 0 -5.83317160002259 823846 CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)C 1 3.216 2 2 -13.6193476683891 823837 CC(C)CC(=O)NC(=S)NC1=CC=CC=C1F 1 3.682 2 1 -10.1550764451369 823830 C1=CC(=CC=C1C(=O)O)OCC2=C(C=CO2)C(=O)O 1 1.838 0 6 0 -4.27392359550143 823826 CC(C)CC(=O)NC(=S)NC1=CC=CC=C1OC 1 3.46 2 2 -12.4319400456786 823823 CC1=CC(=CC(=C1NC(=S)NC(=O)CC(C)C)C)Br 1 5.197 2 1 -8.41483611339877 823816 CC1=NC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 4.955 3 1 -3.87478756624933 823814 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC=N3 1 4.673 3 1 -4.12460878902326 823810 CC1=C(C=C(O1)C(=O)N)COC2=CC=C(C=C2)C(=O)N 1 0.942 2 4 0 -4.89816586483447 823806 CC(C)CC(=O)NC(=S)NC1=NC(=CS1)C2=CC=CC=C2 1 3.948 3 1 -5.2084083750109 823805 CC(C)CC(=O)NC(=S)NC1=NC=C(C=C1)Cl 1 3.057 3 1 -7.38421062318404 823801 CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)N2CCOCC2 1 3.326 3 2 -10.9930422889074 823799 CCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)C 1 2.964 2 2 -14.4856201839185 823797 CCCC(=O)NC(=S)NC1=CC=CC=C1C(F)(F)F 1 4.167 2 1 -11.771702087893 823795 CCCC(=O)NC(=S)NC1=CC=CC=C1F 1 3.43 2 1 -12.165067568342 823792 CCCC(=O)NC(=S)NC1=NC=C(C=C1)Cl 1 2.805 3 1 -9.39420174638909 823782 CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)C 1 2.508 2 2 -9.46021223565545 823778 CCC(=O)NC(=S)NC1=CC=CC=C1C(F)(F)F 1 3.711 2 1 -6.74629413962995 823766 CCC(=O)NC(=S)NC1=CC=CC=C1OC 1 2.752 2 2 -9.41652322062051 823764 CCC(=O)NC(=S)NC1=C(C=C(C=C1)OC)OC 1 2.735 2 3 -10.4534867772463 823759 CCC(=O)NC(=S)NC1=C(C=C(C=C1C)Br)C 1 4.489 2 1 -5.39941928834072 823755 CCCC(=O)NC(=S)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC=N3 1 3.72 4 2 -4.51404226706704 823754 CCCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCOCC2)Cl 1 3.739 3 2 -11.2784008898766 823745 CCCC(=O)NC(=S)NC1=CC=CC=C1OC 1 3.208 2 2 -14.4419311688836 823743 CCCC(=O)NC(=S)NC1=C(C=C(C=C1C)Br)C 1 4.945 2 1 -10.4248272366038 823741 CCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CS2 1 3.963 3 2 -16.0145950164602 823738 CCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2 1 4.009 3 2 -16.1071136485451 823735 CCC(=O)NC(=S)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC=N3 1 3.264 4 2 0.511365681196055 823733 CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CO2 1 2.948 3 3 -9.45538504566525 823710 C1=CC=C(C(=C1)CONC2=NC=NC3=NON=C32)Cl 1 1.785 5 2 0 -2.32599450600742 823709 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3 1 3.333 3 3 -8.29445806648993 823695 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=CC=N3 1 2.679 3 2 -11.7002255555662 823689 CC1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=NC=C2 1 2.425 2 1 -5.86334972423973 823684 C1CCC(CC1)C(=O)NCC2=CC=NC=C2 1 1.933 2 1 0 -7.22985990958215 823677 C1=CC(=CC(=C1)F)C(=O)NC2=C(N=CC=C2)Cl 1 2.543 2 1 -3.94380044564456 823658 CCC(CC)C(=O)NCC1=CN=CC=C1 1 1.848 2 1 0 -10.0567523096958 823655 COC1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-] 1 2.82 2 4 -12.2719322061878 823638 C1=CC=C2C=C(C=CC2=C1)OCC(=O)NC3=CC=NC=C3 1 2.207 2 2 -2.23644743809137 823623 CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2CCCCC2 1 3.734 2 2 -2.5397723900108 823622 CC1=CC(=C(O1)C)C(=O)NC2=CC=CC=C2C(=O)O 1 1.639 1 4 0 -9.21437675557143 823612 C1CCC(CC1)C(=O)NCC2=CC=CC=N2 1 2.148 2 1 -8.91060905225388 823604 CC1=C(OC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)C 1 2.271 1 4 -5.61511416876797 823602 CC1=CC(=CC=C1)OCC(=O)NC2=CC=CC=C2C(F)(F)F 1 3.878 1 2 -4.23271505392964 823601 CC1=C(C=CO1)C(=O)NC2=CC3=CC=CC=C3C=C2 1 2.772 1 2 -0.940969096490045 823600 CCN(CC)C(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2 1 3.044 1 3 -15.7214812887401 823599 C1=CC=C(C=C1)CC(=O)NCC2=CC=CC=N2 1 1.72 2 1 0 -11.8078693960993 823597 COC1=CC=CC=C1C(=O)NCC2=CC=CC=N2 1 1.669 2 2 0 -11.5939684325683 823577 C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3 1 2.844 1 3 -2.41021460403983 823576 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3F 1 3.078 2 1 -1.89394703737082 823571 CC1=CC=C(C=C1)NC(=O)C2=C(N=CN2)C(=O)NN 1 0.218 5 2 0 -7.20643398749962 823563 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl 1 3.047 1 3 -4.66813341574797 823562 C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3 1 2.382 1 3 -7.79685652318034 823543 CC(=NNC(=O)C1=CC=CC=C1Cl)/C=C/C2=CC=CO2 1 3.181 2 2 -5.20100947343331 823524 COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O 1 1.296 2 5 0 -11.319199661225 823519 C1=CC=C2C(=C1)C(=O)N(C=N2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl 1 3.091 3 3 -4.13655840771194 823518 C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC(=CC=C3)[N+](=O)[O-] 1 2.427 3 3 -7.8960166483091 823512 CCN(CC)C1=CC=C(C=C1)C=NNC(=O)NC2=NON=C2N 1 1.587 7 2 0 -14.828822609614 823511 C1CCC(=NNC(=O)NC2=NON=C2N)CC1 1 0.452 6 2 0 -14.1693955966616 823510 C1=CC=C2C(=C1)C3=C(C2=NNC(=S)N)C=CC=C3C(=O)O 1 2.762 3 2 -6.43579874252601 823509 C1=CC=C2C(=C1)C3=CC=CC=C3C2(C(=O)NN=CC4=CC=CO4)O 1 2.696 2 3 -5.64777811491033 823507 C1=CC(=CN=C1)C2=NN=C(O2)C3=CC=C(C=C3)Br 1 2.651 3 1 3.16630818754479 823506 C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O 1 4.09 1 3 -8.35889613934048 823454 CC1=CC=C(C=C1)N=C2N(C(=C(S2)C)C)C 1 3.353 2 0 -0.676664190106066 823436 CC(C)(C)C1=CC=C(C=C1)COC(=O)NC2=CC=C(C=C2)F 1 4.782 1 2 2.32180937023577 823403 CC1=C(C=C(C=C1)NC(=O)CC2=CC=CS2)Cl 1 3.753 1 1 -6.95737595632679 823402 CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=NC=C2 1 2.45 2 2 -0.948293413758432 823401 C1CN(C2=CC=CC=C21)C(=O)COC3=CC=CC=C3Cl 1 3.395 1 2 -10.1145746709913 823387 C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)Cl 1 3.459 2 3 -6.04934573948295 823364 C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3 1 2.153 1 3 -11.8175808997909 823363 CCN(CC)C1=C(C(=O)N=C(N1)C)CC=C 1 1.666 3 1 0 -8.33887058143873 823359 CCOC1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)F 1 1.019 2 3 0 -5.30481532409194 823324 CCOC1=CC=C(C=C1)CC2=NNC(=S)S2 1 3.468 2 1 -5.90384517357501 823322 CCOC1=CC=C(C=C1)CC2=NNC(=S)N2N 1 1.771 4 1 0 -8.18196472515531 823315 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CN=CC=C3 1 3.014 4 0 -4.2391932624475 823300 CC1=CC(=NN1CC2=CC=CC=C2F)[N+](=O)[O-] 1 2.847 3 2 -8.03942338602545 823296 CCN1C(=C(C(=N1)C(=O)NC2=CC=CC3=CC=CC=C32)Cl)Cl 1 4.073 3 1 -5.72624397693173 823293 CCN1C(=C(C(=N1)C(=O)NC2=CC(=C(C=C2)C)C)Cl)Cl 1 4.137 3 1 -5.088120831243 823291 CCN1C(=C(C(=N1)C(=O)NC2=CC=CC=C2C)Cl)Cl 1 3.651 3 1 -7.31458899781773 823288 CCN1C(=C(C(=N1)C(=O)NCC2=CC=CO2)Cl)Cl 1 2.354 3 2 -10.4234472108449 823268 C1=CC(=CC=C1S(=O)(=O)NCCC2=CC=NC=C2)Br 1 2.243 2 2 -3.40023946273203 823264 CC1=C(C(=NN1CC(=O)NC2=NC=C(C=C2)Cl)C)Br 1 2.345 4 1 -7.19167277456359 823260 CC1=C(C2=CC=CC=C2N1)CC3=NN=C(O3)SCC(=O)N 1 1.54 4 2 0 -14.0920967762614 823259 CCOC1=CC=CC=C1NC(=O)CC(C(F)(F)F)(C(F)(F)F)O 1 2.758 1 3 -10.1214988752888 823256 CC1=CC(=C(C=C1)OC)NC(=O)CC(C(F)(F)F)(C(F)(F)F)O 1 2.896 1 3 -8.19277005904056 823249 CC1=C(C=C(C=C1)NC2=NCCC2)Cl 1 2.616 2 0 -2.40656001742062 823242 C1C(=NN(C(=O)S1)CC2=CC=CC=C2)C3=CC=CC=C3 1 3.676 2 1 -3.8759735462267 823240 C1C(=NN(C(=O)S1)CC(=O)N)C2=C(SC(=C2)Cl)Cl 1 1.526 3 2 0 -6.77131987533512 823238 C=CCN1C(=O)C2=C(NC1=S)SC3=C2CCC3 1 3.472 2 1 -14.6591158264092 823231 CCN1C(=O)SCC(=N1)C2=C(SC(=C2)Cl)Cl 1 3.021 2 1 -3.14980552528036 823221 CC(C)COC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC=C2)Cl 1 5.935 2 1 -11.3367256033787 823219 CC(C)OC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC=C2)Cl 1 5.47 2 1 -8.51364183660688 823215 C=CCN1C(=O)SCC(=N1)C2=CC=C(S2)Cl 1 3.122 2 1 -5.44063991502177 823212 CC1=CC=C(C=C1)C2=NN(C(=O)SC2)CC#C 1 3.771 2 1 -5.97802017233864 823206 C1=CC=C(C=C1)/C=C/C(=O)NCCC2=CNC3=CC=CC=C32 1 3.704 2 1 -9.60836406979188 823205 CC(=O)NC1=CC=C(C=C1)C2=NN(C(=O)SC2)CC#N 1 0.943 4 2 0 -10.6857695875105 823187 CN1C=C(C2=CC=CC=C21)C(=O)N 1 1.331 2 1 0 -2.29251030502073 823179 C1=CC=C(C=C1)CNC(=S)NC2=CC=CC(=C2)C(F)(F)F 1 5.038 2 0 -3.45437798229196 823170 CN(C)C1=NC(=NC(=N1)N2CC(=O)N(C2=N)C3=CC=CC=C3)N(C)C 1 1.222 8 1 0 -6.74377748511542 823167 CCOC(=O)/C(=C\1/C=CN(C(=N1)C)C)/C#N 1 -0.198 3 2 0 -4.92290978317793 823166 CCOC(=O)/C(=C/1\C=CN(C(=N1)C)C)/C#N 1 -0.198 3 2 0 -4.92290978317793 823165 CC(=NN=C(C1=CC(=CC=C1)[N+](=O)[O-])C23CN4CN(C2)CN(C3)C4)C 1 1.387 6 2 0 -5.54373057525444 823153 CN1C2=C(C(=O)C(=C(N2)N)N(C)C)C(=O)N(C1=O)C 1 -1.312 5 3 0 -8.61084762894695 823144 CN1C2=C(C(=O)C=C(N2)NNC(=O)CC#N)C(=O)N(C1=O)C 1 -1.494 6 4 0 -17.6977154772239 823142 CCCC(=O)NNC1=CC(=O)C2=C(N1)N(C(=O)N(C2=O)C)C 1 -0.43 5 4 0 -18.0932852379012 823141 CCC(=O)NNC1=CC(=O)C2=C(N1)N(C(=O)N(C2=O)C)C 1 -0.886 5 4 0 -13.1517278639677 823140 CC(C)(C)C(=O)NNC1=CC(=O)C2=C(N1)N(C(=O)N(C2=O)C)C 1 -7.e-003 5 4 0 -17.9411147687302 823139 CC(=O)NNC1=CC(=O)C2=C(N1)N(C(=O)N(C2=O)C)C 1 -1.553 5 4 0 -11.6144287481062 823126 CCC(=O)C1=C(CC(CC1=O)(C)C)NC2=CC=CC=C2C 1 3.547 1 2 -10.368392300647 823118 CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC=C 1 2.977 4 2 -13.9138803207901 823069 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CO3)C4=CC=NC=C4 1 2.52 3 2 -2.438678091047 823064 C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CO3)C4=CN=CC=C4 1 2.52 3 2 -4.53049101574182 822985 CCOC1=CC=C(C=C1)C(=O)CCCC(=O)C2=CC=C(C=C2)OCC 1 4.31 0 4 -4.80214070008431 822973 COC1=CC=C(C=C1)C(=O)C2=CNC=C2C3=CC=CC=C3 1 3.829 1 2 2.07695465228985 822971 CC1=C(C=CC(=N1)C2=CC=C(C=C2)F)C(=O)OC 1 2.969 1 2 -7.44863897875049e-002 822966 CC1=CC=C(C=C1)C(=O)C2=CNC=C2C3=CC=CC=C3 1 4.332 1 1 2.48992086143399 822964 CCC1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)O)C 1 3.481 1 2 0.653085147946716 822962 CC1=C(C=CC(=N1)C2=CC=C(C=C2)Cl)C(=O)OC 1 3.428 1 2 1.03563527533406 822960 CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)O 1 2.538 1 2 0.418006867410601 822957 C1=CC=C(C=C1)C2=CNC=C2C(=O)C3=CC=C(C=C3)Cl 1 4.51 1 1 4.31191955202081 822954 C1CCN(C1)C2=C(C3=CC=CC=C3CC2)C(=O)C4=CC=CC=C4Cl 1 5.024 1 1 -2.24849031968621 822953 CC1=CC=CC(=C1)C(=O)C2=CNC=C2C3=CC=CC=C3 1 4.332 1 1 2.68522630043578 822950 CC1=CC=C(C=C1)N2C(=NN=N2)C3=C(C4=CC5=C(C=C4N=C3)OCO5)C 1 3.568 5 2 0 -4.32186221120305 822938 C1CCN(C1)C2=C(C3=CC=CC=C3CC2)C(=O)C4=CC=C(C=C4)F 1 4.565 1 1 -0.983732197721054 822937 C1CCN(C1)C2=C(C3=CC=CC=C3CC2)C(=O)C4=CC=C(C=C4)Cl 1 5.024 1 1 0.126389467400513 822928 CC(=C(C(=O)NC1=CC=C(C=C1)C(=O)C)NC(=O)C2=CC=CC=C2)C 1 2.725 2 3 -11.9271793807794 822915 CN1C=C(C(=O)C2=CC=CC=C21)C3=NN=NN3C4=CC=CC=C4 1 2.338 5 1 -8.29048816099776 822914 COC1=C(C=C(C=C1)C2(CCCC2)CNC(=O)C3=CC=CC=C3)OC 1 4.043 1 3 -18.656950235553 822893 C1=CC(=CC=C1CNC(=O)NCC(F)(F)F)Cl 1 2.625 2 1 -6.03842616832817 822891 COC1=CC(=CC(=C1OC)OC)C2=NC(=C(O2)OC)C(F)(F)F 1 3.082 1 5 3.03890950049095 822887 COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)O 1 1.037 2 4 0 -9.45382132874693 822882 CC1=NNC(=S)N1C2=CC(=CC=C2)Cl 1 2.678 3 0 -0.884665680089738 822855 CC1=CC(=NN1C2=NN=C(N=N2)NC(C)(C)C)C 1 1.603 7 0 0 -7.23926288272812 822846 CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)F)CC#N 1 1.872 2 3 0 -3.76412164535165 822828 CCOC(=O)C1=C2N=C(C=C(N2N=C1)C)C3=CC=C(C=C3)F 1 2.742 3 2 -9.17683374648973 822800 COC1=CC=C(C=C1)CC(=O)C2=CC(=C(C=C2)OC)OC 1 3.219 0 4 -5.84118452966209 822790 C1CC(=O)N(C1)C2=CC=C(C=C2)N3CCCC3=O 1 0.993 2 2 0 -10.0056915283342 822787 C1CCN(C1)CC2=CC3=CC=CC=C3C4=C2COC4 1 2.83 1 1 4.04982362488694 822778 COC(=O)NC1=NC=C(S1)CN2CCC(CC2)C3=CC=CC=C3 1 2.943 3 2 1.97511232605539 822777 COC(=O)NC1=NC=C(S1)CN2CCCCC2 1 1.659 3 2 0 -2.32184215111328 822769 CN(C)C(=O)COC1=C(C=CC(=C1)OC)C(=O)C2=CC=CC=C2 1 2.467 1 4 -4.94797101897401 822765 CN1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2Cl 1 3.069 3 1 -9.15402050282588 822760 CC(=O)C1=CC=CC=C1C(=O)NCC2=CN=CC=C2 1 1.21 2 2 0 -13.8719849242411 822752 COC1=CC=C(C=C1)CCNC(=O)C2=NON=C2N 1 0.951 4 3 0 -13.2933634850958 822711 COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=NC=CN=C3 1 1.31 3 3 0 -19.0851188206894 822704 CN1/C(=C/C2=CC(=C(C=C2)O)OC)/C(=O)N(C1=S)C 1 2.313 2 3 -1.8611030252213 822683 C1=CC=C(C=C1)CN2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl 1 5.014 3 0 1.6380639870981 822630 CCSC1=NN=C(S1)NC(=O)CC2=CC=C(C=C2)OC 1 2.539 3 2 -15.5590619920194 822606 CC1=CC=C(O1)C=NNC(=O)C2=C(ON=C2C3=CC=CC=C3)C 1 2.77 3 3 -8.06855789558426 822543 COC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=CC=C3F 1 3.097 2 2 -5.46520643741925 822534 CC(C)(C)C1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)F 1 2.804 3 2 -4.65818794426985 822532 CC(C)(C)NC1=NC(=NC(=N1)NCC2=CN=CC=C2)N3CCOCC3 1 0.775 7 1 0 -8.66233981376881 822517 C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl 1 2.984 1 2 -11.200295889752 822515 C1CCC2=C(C1)C(=CS2)C(=O)NC3=NC=CS3 1 2.657 2 1 -7.18222219691665 822514 CC(C)C(=O)NC1=NC=C(S1)CC2=CC=C(C=C2)Cl 1 3.586 2 1 -6.68102409509511 822500 CC1=C(C=C(C=C1)Cl)NC2=NC(=S)N(C23CCCCC3)C(C)C 1 6.111 3 0 0.116517329649958 822499 CC1=CC=C(O1)/C=C(/C(=C/C(=O)O)/C)\C(=O)O 1 1.972 0 5 0 -0.88058996432274 822490 CC(C)(C)C1=CC=C(S1)C2=C(C(=NC3=C2CCCC3)N)C#N 1 5.034 3 0 -3.44746536803947 822484 C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCC3=CC=CC=C3 1 3.336 1 3 -13.6738062899734 822476 CCN(C1CCCCC1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC 1 3.869 1 4 -7.4330535739072 822473 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2CCCCC2 1 3.315 1 4 -10.8746977325424 822469 C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CN=C(C=C3)Cl 1 0.421 5 2 0 -12.4899923739105 822466 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CN=C(C=C3)Cl 1 2.777 2 2 -14.7013861864195 822465 C1=COC(=C1)CNS(=O)(=O)C2=CN=C(C=C2)Cl 1 1.229 2 3 0 -7.14996588257396 822462 C1=CC=C2C(=C1)N=C(S2)NS(=O)(=O)C3=CN=C(C=C3)Cl 1 2.666 3 2 -0.969758575978355 822461 COC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CN=C(C=C2)Cl 1 2.007 2 4 -5.5954343748866 822460 CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)Cl 1 1.346 2 4 0 -18.167604742056 822459 CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)Cl 1 0.976 3 2 0 -15.0865809433473 822457 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)Cl 1 0.627 3 2 0 -13.4799250398965 822456 C1=CC=C(C=C1)CCNS(=O)(=O)C2=CN=C(C=C2)Cl 1 2.368 2 2 -6.05672377413846 822454 C1CCC(CC1)NS(=O)(=O)C2=CN=C(C=C2)Cl 1 2.322 2 2 -9.05751174047793 822453 CC(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CN=C(C=C2)Cl 1 3.234 2 2 -2.78055200487274 822448 C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CN=C(C=C3)Cl 1 2.321 2 2 -14.7183891363002 822442 C1=CC(=CN=C1)CNS(=O)(=O)C2=CN=C(C=C2)Cl 1 0.897 3 2 0 -6.34141683965851 822439 CC(=O)C1=CN=C(S1)N(C)C 1 0.4 2 1 0 -2.89287134045345 822429 CC(=O)OC1=C(C(=O)N(C2=CC=CC=C21)C)CC=C 1 1.898 1 3 0 -4.46553866414033 822408 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC=CO3 1 2.349 2 3 -12.7486885028837 822403 CCC1=C(C2=CC=CC=C2N(C1=O)C)OC(=O)C 1 1.832 1 3 0 -2.47932091100905 822396 CCN1C2=C(C(=CC1=O)C)C(=O)CC(C2)(C)C 1 1.702 1 2 0 -10.2729155503068 822394 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCCC3 1 2.251 2 2 -8.0863312177249 822356 C1=CC=C(C=C1)C(=CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 1 4.353 0 2 -4.26161427460496 822355 C=CCN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=NC=C3 1 2.057 5 1 -15.9636270808127 822351 CC1=NC2=CC=CC=C2C(=O)N1CCC3=CC(=C(C=C3)OC)OC 1 2.907 2 3 -7.61874468577281 822349 CC(=NO)CS(=O)(=O)C1=CC=CC=C1 1 1.005 1 3 0 -5.01704107490008 822321 CCOC(=O)C=NC1=C(N(C(=O)N(C1=O)C)C)N 1 -0.941 4 4 0 -9.73331995742619 822308 CC1=NC2=C(N=C1C)N(C(=S)NC2=O)C 1 1.521 4 1 0 -2.09564042699455 822306 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N(C)C4CCN(CC4)C 1 3.686 4 0 7.77782283389576 822286 CN1C2=C(C(=CC(=N2)OC)C(=O)OC)C(=O)N(C1=O)C 1 0.743 3 5 0 -14.749157132731 822285 CC1(OCCO1)CCCN2C(=O)C3=CC=CC=C3C2=O 1 0.941 1 4 0 -4.54414433067787 822281 C1=CC=C(C=C1)NC(=O)C2=NC3=CC=CC=C3N=C2 1 2.507 3 1 -5.8658565492079 822280 CC1=CC2=NN(N=C2C=C1N)C3=CC=C(C=C3)F 1 3.117 4 0 2.4879698158566 822278 CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)CC3=CC=CC=C3 1 0.438 4 3 0 -7.47783117136947 822275 CN1C2=C(N=C1C3=CC=CC=C3)N(C(=O)N(C2=O)C)CC4=CC=CC=C4 1 3.408 4 2 -2.53068750465526 822274 C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CN=CC=C3 1 2.202 3 2 -8.88392332447261 822271 C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F 1 3.443 2 1 -4.6273072968396 822267 C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br 1 3.201 2 2 -3.59681949110516 822265 C1CC1NC(=S)NC(=O)C2=CN=CC=C2 1 1.25 3 1 0 -12.0651245595924 822260 C1=CC=C(C=C1)C2=NC3=C(N=C2C4=CC=CC=C4)N=C(N=C3N)SN 1 3.762 6 0 1.01966346242829 822259 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=NC=NN2 1 1.723 4 1 0 -6.06769251326924 822257 C1CCC(=CC1)CCNC(=S)NC(=O)C2=CN=CC=C2 1 3.088 3 1 -15.1031290356977 822237 CC1=NC2=C(N=C1C)N=C(N=C2OCC3=CC=CC=C3)N 1 2.156 5 1 -2.98416751438548 822234 CC(C)NC(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=CO3)C(F)(F)F 1 3.178 4 2 -16.5660280612719 822230 CN(C)C1=NC2=NC(=CN=C2C(=N1)N)SC 1 0.647 6 0 0 -3.81088759786661 822225 C1COCCN1C2=CC(=C(C=C2)N)C(F)(F)F 1 1.875 2 1 0 2.77056791637143 822220 C1=CC=C(C=C1)CCC(=O)C2=CN=C3C(=NC(=NC3=N2)N)N 1 1.601 6 1 0 -6.46357524879197 822215 CN1C2=C(C(=O)N(C1=O)C)N=C(C(=N2)C3=CC=CC=C3)Cl 1 2.463 4 2 -3.9846169063455 822211 CN1C2=C(C(=O)N(C1=S)C)NC(=O)C=N2 1 0.134 4 2 0 -7.62141081539533 822208 CC1=NC2=C(N=C1Cl)N(C(=O)N(C2=O)C)C 1 0.799 4 2 0 -6.72381699201788 822207 CN1C(=O)C2=NC=C(N=C2NC1=O)SC 1 0.517 4 2 0 -2.89373029868314 822205 CCOC(=O)C1=NC2=C(N(C1=O)C)N(C(=O)N(C2=O)C)C 1 -0.655 4 5 0 -11.7850590336392 822199 CC(C)CSC1=NNC(=N1)N 1 1.639 4 0 0 -2.94764513918687 822194 CN1C2=NC(=CN=C2C(=O)NC1=O)SC 1 0.517 4 2 0 -2.87052443339002 822192 CN1C(=O)C2=C(NC(=O)C=N2)NC1=S 1 -0.402 4 2 0 -6.14089817783094 822180 CC1=CC(=C2C(=C1)C(=C3C=C(C(=NC3=N2)C)C)N)C 1 3.392 3 0 1.73636036668494 822179 C1CCN(CC1)C(=O)CSCC(=O)O 1 0.459 1 3 0 -11.9820970699052 822176 CC(C)(C)CN1C2=NC=C(C=C2C(=O)NC1=O)[N+](=O)[O-] 1 1.518 4 4 0 -7.85732123263288 822173 CC1CCN(CC1)C(=O)CSCC(=O)O 1 0.711 1 3 0 -14.6712066738096 822172 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=C(N=C2OC)N)N 1 1.114 5 3 0 -3.19899554010536 822167 CNC1=C(C(=O)N(C(=O)N1C)C)N=CC2=CN=CC=C2 1 -0.238 5 2 0 -7.36732882717045 822161 CC(=O)N(CC1=CC=CC=C1)C2=C(NC(=NC2=O)N)N 1 -0.563 5 2 0 -7.64773122079196 822155 C1=CC(=CC=C1CCSC2=NC=CC(=O)N2)[N+](=O)[O-] 1 2.253 3 3 -8.01574804433205 822154 CN1C(=O)C=CN=C1SCCC2=CC=C(C=C2)[N+](=O)[O-] 1 2.459 3 3 -3.78118214219589 822151 C1=CC(=CC=C1CN2C(=O)C=C(N=C2N)Cl)Cl 1 2.512 3 1 2.27110893848359 822144 CCN1C(=CC(=O)N(C1=O)C)NC 1 -3.9e-002 3 2 0 -8.630981698822 822140 CC1=CC=CC=C1C(=O)NCC(=O)C2=CC=CC=C2 1 2.78 1 2 -11.5373070070787 822138 CC1=CC(=C(C(=C1)C)C(=O)NCC(=O)C2=CC=CC=C2)C 1 3.752 1 2 -8.79616591267529 822107 CC1=CC(=CC(=C1C(=O)CC(=O)C2=C(C=C(C=C2C)OC)C)C)OC 1 5.066 0 4 -2.6266882984695 822086 CC(=O)NC(C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2 1 2.234 1 3 -6.33969190043194 822069 C[N+]1=C(SC(=C1C2=CC=CC=C2)[S-])C3=CC=CC=C3 1 5.158 1 0 1.82180202974922 822056 COC1=CC=C(C=C1)C(=S)NC2=CC=CC=C2 1 3.969 1 1 -0.174204306544949 822001 CC1=C(SC(=C1)C(=O)NC)C2=CC=CC=C2 1 3.287 1 1 -4.51345142191894 821958 COC(=O)C1=C(ON=C1C(=O)C2=CC=CC=C2)C(=O)OC 1 2.118 1 6 0 -7.66076856179278 821953 CC1=C(SC(=C1)C(=O)N(C)C)C2=CC=CC=C2 1 3.493 1 1 -0.742803282159339 821910 CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=NN4C=CC=NC4=N3 1 1.846 7 1 0 -10.7784263819615 821905 CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=NN4C=CC=NC4=N3 1 2.385 7 1 0 -11.6332178545322 821865 COC1=CC=CC(=C1)NC(=O)C2=NN3C=CC=NC3=N2 1 1.11 5 2 0 -5.62121300793175 821854 CC1=NC(=NC2=NNC(=C12)N)C3=CC=CC=C3 1 1.308 5 0 0 3.27031584581189 821834 COC1=C(C=C(C=C1)CCNC(=O)C2=NN3C=CC=NC3=N2)OC 1 1.422 5 3 0 -11.7847348474823 821830 C1=CC=C(C=C1)CCNC(=O)C2=NN3C=CC=NC3=N2 1 1.455 5 1 0 -8.28586304127346 821828 C1=CN2C(=NC(=N2)C(=O)NCC3=CC=CO3)N=C1 1 0.315 5 2 0 -10.349452371241 821825 C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=NN4C=CC=NC4=N3 1 1.591 6 1 0 -1.3223773482897 821815 C1=CN2C(=NC(=N2)C(=O)NCC3=CC=CS3)N=C1 1 0.873 5 1 0 -11.0442175388756 821814 C1CN(CC2=CC=CC=C21)C(=O)C3=NN4C=CC=NC4=N3 1 1.414 5 1 0 -9.83249355597399 821809 C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NN4C=CC=NC4=N3 1 1.385 6 1 0 -2.39295179542196 821808 C1=CC=C(C=C1)S(=O)(=O)C(=C2NC3=CC=CC=C3N2)C#N 1 2.561 3 2 -10.2186993055238 821799 CSC1=C(C(=O)N2C=C(C=CC2=N1)Br)C#N 1 1.276 3 1 0 -7.77515781626245 821749 C1=CC=C(C=C1)C2=C(C(=NN2)C3=CC=CC=C3)C4=NC5=CC=CC=C5N4 1 5.471 4 0 4.55062267466809 821742 CSC1=C(C(=O)N2C=CC=CC2=N1)C#N 1 0.823 3 1 0 -8.83803543136293 821736 CC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 1 3.147 4 2 2.20937904974539 821724 C1=CC=C(C=C1)CON2C=C(C(=O)NC2=O)C#N 1 0.462 3 3 0 -9.05914187583256 821722 CC1(COC(=N1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C 1 2.905 2 3 0.883796484338111 821693 C1=CC(=CC=C1CC2=NNC(=S)N(C2=O)N)O 1 1.073 4 2 0 -9.37656752542163 821687 CC(=O)NC1=CSC=C1C(=O)OC 1 0.467 1 3 0 -7.72401852607665 821682 CC1=NC2=CC=CC=C2C(=C1)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C 1 2.777 4 1 -8.21014313845611 821673 CC1=CC(=C(C=C1)C)OC(=O)C2=CC=NC=C2 1 3.083 1 2 -3.92650554824126 821672 CCN(CC)C(=S)SCC1=C(C=CC(=C1)[N+](=O)[O-])OC 1 4.363 2 3 -9.84637527530639 821667 CC(C)(C)NC(=O)C1=NN(C2=CC=CC=C21)C 1 2.247 3 1 -9.01873422092355 821662 CC1=C(C(=C(C=C1)NC2=NCCCS2)C)C 1 3.751 2 0 -4.78645607036148 821651 CC1=CC=C(C=C1)C(=O)C(=C(SC)SC)C(=O)C 1 3.599 0 2 -3.25261305147954 821645 C1CSC(=CC(=O)/C=C/C2=CC=CO2)S1 1 3.094 0 2 -0.599878663017055 821630 COC1=CC=CC=C1C(=O)NN=CC2=NC3=CC=CC=C3N=C2 1 2.559 4 2 -3.75142633524808 821627 CC1=NNC(=S)N1N=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] 1 3.182 5 3 0 -5.51637236466249 821625 COC1=CC(=C(C=C1)C(=O)NC2=NN=CS2)OC 1 1.055 3 3 0 -8.24926494197284 821601 COC1=CC=C(C=C1)C(=O)NC2=NCCS2 1 2.086 2 2 -11.76550477425 821599 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=N2 1 1.986 2 2 0 -3.93938627854726 821588 CC1=CC(=CC(=C1)OCC(=O)OCC(=O)C2=CC=C(C=C2)OC)C 1 3.732 0 5 -10.2293818844888 821587 CC1=C(C=C(C=C1)OCC(=O)OCC(=O)C2=CC=C(C=C2)OC)C 1 3.732 0 5 -10.293005077032 821574 CC1(/C(=C/NC2=CC=C(C=C2)O)/C(=O)C(O1)(C)C)C 1 1.955 1 3 0 0.305974636827333 821569 CC(=O)C1=CC(=C2N1C=CC=C2)C(=O)OC 1 1.549 1 3 0 -5.64402759905927 821560 C1CSC(=N1)NC(=O)C2=CC(=CC=C2)F 1 2.308 2 1 -10.5280054518165 821559 C1=CC(=CC(=C1)F)C(=O)NC2=NC=CC=N2 1 1.562 3 1 0 -5.56869373008818 821556 CN1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=CC=C3 1 2.422 1 3 -1.17355088004436 821546 C1CNC(=CC(=O)C2=CC=CC=C2)N1 1 1.219 2 1 0 -4.79236435356442 821545 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2 1 2.965 1 3 -4.72259039863659 821543 CC1=CC(=NO1)NC(=O)C2=CC=CC=C2Cl 1 2.417 2 2 -13.1882399842131 821536 C1=CC(=C(N=C1)Cl)C(=O)NC2=NC=CS2 1 1.334 3 1 0 -3.73776574887504 821527 CCOC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)OC)N 1 1.583 4 3 0 -10.2899816057406 821519 CC1=C(C=C(C=C1)OCC(=O)OCC(=O)C2=CC=CC=C2)C 1 3.748 0 4 -10.5304098641977 821516 COC1=CC=C(C=C1)NC(=O)C2=CC=CC=N2 1 1.876 2 2 0 -6.55930881580287 821512 CC(C)(C)N=C1CC(=C1C2=CC=C(C=C2)OC)SC 1 3.278 1 1 0.293613092474403 821441 CC1=NC(=O)C2=CC3=CC=CC=C3C=C2N1 1 1.737 2 1 0 -2.15338972710664 821509 CC1=CC=C(C=C1)C2=C(CC2=NC)SC 1 2.85 1 0 1.07960986369649 821505 COC1=CC=C(C=C1)C=NNC(=O)NC2=CC=CC3=NSN=C32 1 2.703 5 2 0 -5.41798515315047 821488 CC(C)(C)C(=O)NC1=NN=C(S1)CCC2=CC=CC=C2 1 3.386 3 1 -16.7400325974978 821478 C1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)C3=CC=CC=C3 1 3.504 3 1 -12.5779574814287